Charm++> Running on Gemini (GNI) with 20 processes Charm++> static SMSG Charm++> SMSG memory: 98.8KB Charm++> memory pool init block size: 8MB, total memory pool limit 0MB (0 means no limit) Charm++> memory pool registered memory limit: 200000MB, send limit: 100000MB Charm++> only comm thread send/recv messages Charm++> Cray TLB page size: 8192K Charm++> Running in SMP mode: numNodes 20, 7 worker threads per process Charm++> The comm. thread both sends and receives messages Charm++> Using recursive bisection (scheme 3) for topology aware partitions Converse/Charm++ Commit ID: v6.7.1-rc1-0-gbdf6a1b-namd-charm-6.7.1-build-2016-Apr-16-49226 CharmLB> Load balancer assumes all CPUs are same. Charm++> cpu affinity enabled. Charm++> cpuaffinity PE-core map : 2-14:2 Charm++> set comm 0 on node 0 to core #0 Charm++> Running on 20 unique compute nodes (16-way SMP). Info: Built with CUDA version 7050 Did not find +devices i,j,k,... argument, using all Pe 9 physical rank 2 will use CUDA device of pe 7 Pe 1 physical rank 1 will use CUDA device of pe 4 Pe 13 physical rank 6 will use CUDA device of pe 7 Pe 8 physical rank 1 will use CUDA device of pe 7 Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 10 physical rank 3 will use CUDA device of pe 7 Pe 12 physical rank 5 will use CUDA device of pe 7 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 0 physical rank 0 will use CUDA device of pe 4 Pe 2 physical rank 2 will use CUDA device of pe 4 Pe 5 physical rank 5 will use CUDA device of pe 4 Pe 3 physical rank 3 will use CUDA device of pe 4 Pe 7 physical rank 0 binding to CUDA device 0 on physical node 1: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Pe 4 physical rank 4 binding to CUDA device 0 on physical node 0: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Info: NAMD 2.11 for CRAY-XE-ugni-smp-BlueWaters-CUDA Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: for updates, documentation, and support information. Info: Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 60701 for gemini_gni-crayxe-persistent-smp Info: Built Tue Sep 13 16:23:43 CDT 2016 by jphillip on h2ologin1 Info: Running on 140 processors, 20 nodes, 20 physical nodes. Info: CPU topology information available. Info: Charm++/Converse parallel runtime startup completed at 0.0292847 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.4844 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.2.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_water_new/run TCL: Suspending until startup complete. Warning: The following variables were set in the Warning: configuration file but will be ignored: Warning: consexp (constraints) Warning: consref (constraints) Warning: conskfile (constraints) Warning: conskcol (constraints) Warning: constraintScaling (constraints) Warning: ionConcentration (GBIS) Warning: alphaCutoff (GBIS) Info: EXTENDED SYSTEM FILE MD.1.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 68.6708 0 0 Info: PERIODIC CELL BASIS 2 0 80.8219 0 Info: PERIODIC CELL BASIS 3 0 0 100.456 Info: PERIODIC CELL CENTER -0.83533 -0.207739 0.708041 Info: WRAPPING WATERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: WRAPPING ALL CLUSTERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: LOAD BALANCER Centralized Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT Info: LDB PERIOD 4000 steps Info: FIRST LDB TIMESTEP 100 Info: LAST LDB TIMESTEP -1 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: PME BACKGROUND SCALING 1 Info: REMOVING LOAD FROM NODE 0 Info: REMOVING PATCHES FROM PROCESSOR 0 Info: MIN ATOMS PER PATCH 40 Info: VELOCITY FILE MD.1.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.2.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.2.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.2 Info: RESTART FILENAME MD.2.restart Info: RESTART FREQUENCY 100000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0.495 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 16.995 Info: ENERGY OUTPUT STEPS 200 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 200 Info: PRESSURE OUTPUT STEPS 200 Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 300 Info: LANGEVIN USING BBK INTEGRATOR Info: LANGEVIN DAMPING COEFFICIENT IS 1 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: LANGEVIN PISTON PRESSURE CONTROL ACTIVE Info: TARGET PRESSURE IS 1.01325 BAR Info: OSCILLATION PERIOD IS 200 FS Info: DECAY TIME IS 100 FS Info: PISTON TEMPERATURE IS 300 K Info: PRESSURE CONTROL IS GROUP-BASED Info: INITIAL STRAIN RATE IS -6.4196e-07 -6.4196e-07 -6.4196e-07 Info: CELL FLUCTUATION IS ISOTROPIC Info: PARTICLE MESH EWALD (PME) ACTIVE Info: PME TOLERANCE 1e-06 Info: PME EWALD COEFFICIENT 0.257952 Info: PME INTERPOLATION ORDER 4 Info: PME GRID DIMENSIONS 72 84 108 Info: PME MAXIMUM GRID SPACING 1 Info: Attempting to read FFTW data from system Info: Attempting to read FFTW data from FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: Optimizing 6 FFT steps. 1... 2... 3... 4... 5... 6... Done. Info: Writing FFTW data to FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: FULL ELECTROSTATIC EVALUATION FREQUENCY 2 Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: RIGID BONDS TO HYDROGEN : ALL Info: ERROR TOLERANCE : 1e-08 Info: MAX ITERATIONS : 100 Info: RIGID WATER USING SETTLE ALGORITHM Info: RANDOM NUMBER SEED 1474625836 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB 1qhj_water_QwikMD.pdb Info: STRUCTURE FILE 1qhj_water_QwikMD.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS Retinal_schiff_based_qwikmd.str Info: PARAMETERS toppar_water_ions_namd.str Info: PARAMETERS toppar_all36_carb_glycopeptide.str Info: PARAMETERS par_all36_lipid.prm Info: PARAMETERS par_all36_na.prm Info: PARAMETERS par_all36_prot.prm Info: PARAMETERS par_all36_carb.prm Info: PARAMETERS par_all36_cgenff.prm Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES MD.1.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 1.36507 Info: Reading pdb file 1qhj_water_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.205491 Info: Info: **************************** Info: STRUCTURE SUMMARY: Info: 56678 ATOMS Info: 38979 BONDS Info: 24331 ANGLES Info: 9759 DIHEDRALS Info: 523 IMPROPERS Info: 225 CROSSTERMS Info: 0 EXCLUSIONS Info: 54791 RIGID BONDS Info: 115243 DEGREES OF FREEDOM Info: 19534 HYDROGEN GROUPS Info: 4 ATOMS IN LARGEST HYDROGEN GROUP Info: 19534 MIGRATION GROUPS Info: 4 ATOMS IN LARGEST MIGRATION GROUP Info: TOTAL MASS = 346105 amu Info: TOTAL CHARGE = 2.03773e-06 e Info: MASS DENSITY = 1.03084 g/cm^3 Info: ATOM DENSITY = 0.101657 atoms/A^3 Info: ***************************** Info: Reading from binary file MD.1.restart.coor Info: Info: Entering startup at 2.3929 s, 144.312 MB of memory in use Info: Startup phase 0 took 0.000345853 s, 144.324 MB of memory in use Info: ADDED 72885 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.0932354 s, 154.84 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 0.0101205 s, 160.484 MB of memory in use Info: Startup phase 3 took 0.000216669 s, 160.637 MB of memory in use Info: Startup phase 4 took 0.00161034 s, 163.305 MB of memory in use Info: Startup phase 5 took 0.000201332 s, 163.363 MB of memory in use Info: REDUCING NUMBER OF PATCHES TO IMPROVE LOAD BALANCE Info: PATCH GRID IS 7 (PERIODIC) BY 4 (PERIODIC) BY 5 (PERIODIC) Info: PATCH GRID IS 2-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file MD.1.restart.vel Info: REMOVING COM VELOCITY 0.0139437 -0.0327306 0.00654504 Info: LARGEST PATCH (66) HAS 447 ATOMS Info: TORUS A SIZE 24 USING 10 Info: TORUS B SIZE 24 USING 0 1 Info: TORUS C SIZE 24 USING 17 18 19 20 21 Info: TORUS MINIMAL MESH SIZE IS 1 BY 2 BY 5 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.0566652 s, 174.5 MB of memory in use Info: PME using 36 and 42 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 3 10 12 17 19 24 26 31 38 40 ... Info: PME TRANS LOCATIONS: 1 5 8 13 15 20 22 27 29 33 ... Info: PME USING 20 GRID NODES AND 20 TRANS NODES Info: Startup phase 7 took 0.541697 s, 175.188 MB of memory in use Info: Startup phase 8 took 0.00256998 s, 175.098 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.00227595 s, 175.102 MB of memory in use Info: CREATING 5174 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Info: Found 309 unique exclusion lists needing 1048 bytes Pe 3 hosts 0 local and 6 remote patches for pe 4 Pe 0 hosts 0 local and 4 remote patches for pe 4 Pe 5 hosts 0 local and 7 remote patches for pe 4 Pe 2 hosts 0 local and 4 remote patches for pe 4 Pe 6 hosts 0 local and 6 remote patches for pe 4 Pe 1 hosts 0 local and 6 remote patches for pe 4 Pe 4 hosts 0 local and 7 remote patches for pe 4 Pe 11 hosts 0 local and 6 remote patches for pe 7 Pe 12 hosts 0 local and 6 remote patches for pe 7 Pe 9 hosts 0 local and 6 remote patches for pe 7 Pe 13 hosts 0 local and 6 remote patches for pe 7 Pe 8 hosts 0 local and 5 remote patches for pe 7 Pe 10 hosts 0 local and 4 remote patches for pe 7 Pe 7 hosts 0 local and 6 remote patches for pe 7 Info: Startup phase 10 took 0.032257 s, 180.465 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 0.000393045 s, 180.562 MB of memory in use Info: Startup phase 12 took 0.00010302 s, 180.562 MB of memory in use Info: Finished startup at 3.13459 s, 180.566 MB of memory in use TCL: Running for 5000000 steps Pe 4 has 0 local and 40 remote patches and 0 local and 138 remote computes. Pe 7 has 0 local and 39 remote patches and 0 local and 161 remote computes. PRESSURE: 0 304.179 77.7224 19.3996 77.7215 -278.784 -61.6232 19.3991 -61.6219 -32.377 GPRESSURE: 0 296.215 68.7809 79.0455 38.588 -186.864 0.0583841 -45.2463 -117.208 -33.9111 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 742.0784 2117.0782 1958.4024 111.3428 -206396.2492 17906.3381 0.0000 0.0000 34291.9349 -149269.0744 299.4800 -183561.0093 -149171.2209 299.4800 -2.3272 25.1466 557539.3331 -2.3272 25.1466 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 3.26183 LDB: ============== END OF LOAD BALANCING =============== 3.26204 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.26356 LDB: ============= START OF LOAD BALANCING ============== 3.53596 LDB: Largest compute 4820 load 0.023040 is 24.8% of average load 0.093057 LDB: Average compute 0.001386 is 1.5% of average load 0.093057 LDB: Partitioning computes with target load 0.009306 LDB: Increased migratable compute count from 840 to 840 LDB: Largest unpartitionable compute is 0.023040 LDB: ============== END OF LOAD BALANCING =============== 3.53948 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.54372 Info: Initial time: 140 CPUs 0.00387401 s/step 0.022419 days/ns 193.914 MB memory LDB: ============= START OF LOAD BALANCING ============== 3.60346 LDB: ============== END OF LOAD BALANCING =============== 3.60364 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.60515 LDB: ============= START OF LOAD BALANCING ============== 3.84325 LDB: Largest compute 4820 load 0.022708 is 23.9% of average load 0.094892 LDB: Average compute 0.001380 is 1.5% of average load 0.094892 LDB: TIME 3.84548 LOAD: AVG 0.0948921 MAX 0.15211 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.492 MB LDB: TIME 3.84664 LOAD: AVG 0.0948921 MAX 0.140853 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 TorusLB MEM: 196.57 MB LDB: ============== END OF LOAD BALANCING =============== 3.84977 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.85396 PRESSURE: 200 -206.989 131.711 27.5868 131.711 -101.28 167.279 27.5876 167.277 -375.539 GPRESSURE: 200 -239.691 -13.1725 -56.9433 96.1519 -41.1362 126.241 90.6146 165.24 -327.93 PRESSAVG: 200 28.3842 60.0955 -6.55211 60.0954 -8.01423 53.9903 -6.55213 53.9904 10.713 GPRESSAVG: 200 28.4273 59.4024 -9.69532 62.2909 -7.60932 53.8669 -4.63601 54.6156 9.7636 Info: Initial time: 140 CPUs 0.00297287 s/step 0.0172041 days/ns 193.934 MB memory TIMING: 200 CPU: 0.758347, 0.00353467/step Wall: 0.758347, 0.00353467/step, 4.90906 hours remaining, 193.933594 MB of memory in use. ENERGY: 200 799.6845 2110.5494 1976.2052 114.4652 -206153.2604 17589.9318 0.0000 0.0000 34315.2732 -149247.1512 299.6838 -183562.4244 -149149.6685 299.4456 -227.9361 -202.9189 558500.6044 10.3610 10.1939 LDB: ============= START OF LOAD BALANCING ============== 4.14645 LDB: Largest compute 4820 load 0.028264 is 23.5% of average load 0.120198 LDB: Average compute 0.001723 is 1.4% of average load 0.120198 LDB: TIME 4.14883 LOAD: AVG 0.120198 MAX 0.176732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 194.191 MB LDB: TIME 4.14911 LOAD: AVG 0.120198 MAX 0.176732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 194.32 MB LDB: TIME 4.14926 LOAD: AVG 0.120198 MAX 0.176732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 194.328 MB LDB: ============== END OF LOAD BALANCING =============== 4.15114 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.15532 Info: Initial time: 140 CPUs 0.00292165 s/step 0.0169077 days/ns 196.508 MB memory LDB: ============= START OF LOAD BALANCING ============== 4.44984 LDB: Largest compute 4820 load 0.028551 is 23.7% of average load 0.120581 LDB: Average compute 0.001714 is 1.4% of average load 0.120581 LDB: TIME 4.4522 LOAD: AVG 0.120581 MAX 0.177229 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.711 MB LDB: TIME 4.45254 LOAD: AVG 0.120581 MAX 0.177229 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.711 MB LDB: TIME 4.45265 LOAD: AVG 0.120581 MAX 0.177229 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.711 MB LDB: ============== END OF LOAD BALANCING =============== 4.45472 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.45887 PRESSURE: 400 -262.239 108.062 59.4326 108.062 -250.33 131.772 59.4335 131.773 18.6443 GPRESSURE: 400 -224.509 24.5169 145.428 108.131 -227.542 123.082 36.6602 156.965 52.675 PRESSAVG: 400 13.8376 17.3697 22.925 17.3696 -78.9633 30.2603 22.925 30.2603 117.514 GPRESSAVG: 400 12.5822 17.8059 24.2431 16.2989 -78.8559 31.1609 23.9584 27.9319 117.546 Info: Benchmark time: 140 CPUs 0.00294545 s/step 0.0170455 days/ns 195.285 MB memory TIMING: 400 CPU: 1.36323, 0.00302441/step Wall: 1.36323, 0.00302441/step, 4.20023 hours remaining, 195.285156 MB of memory in use. ENERGY: 400 766.3678 2124.6857 1966.5850 122.0988 -206090.7332 17580.9427 0.0000 0.0000 34251.3237 -149278.7295 299.1253 -183530.0531 -149187.7213 299.6279 -164.6417 -133.1256 558370.9034 17.4628 17.0908 Info: Benchmark time: 140 CPUs 0.00293295 s/step 0.0169731 days/ns 195.285 MB memory PRESSURE: 600 -50.4462 77.498 -29.2974 77.4986 -50.6081 -116.14 -29.2987 -116.141 175.691 GPRESSURE: 600 19.8328 25.1466 28.9126 -27.2098 -56.4172 -114.55 -80.5131 -142.048 225.161 PRESSAVG: 600 12.6913 33.0582 17.5175 33.0582 -83.12 13.9936 17.5176 13.9936 85.7582 GPRESSAVG: 600 13.9095 34.2477 16.1918 32.2508 -83.4561 12.9148 16.9005 15.7488 85.0453 Info: Benchmark time: 140 CPUs 0.0029478 s/step 0.017059 days/ns 195.285 MB memory TIMING: 600 CPU: 1.95151, 0.00294143/step Wall: 1.95151, 0.00294143/step, 4.08483 hours remaining, 195.285156 MB of memory in use. ENERGY: 600 749.5863 2143.4916 1964.9066 107.5520 -206358.2475 17776.8202 0.0000 0.0000 34345.3723 -149270.5186 299.9467 -183615.8908 -149177.3127 299.2549 24.8790 62.8590 557580.5591 5.1098 5.1662 Info: Benchmark time: 140 CPUs 0.00290565 s/step 0.0168151 days/ns 195.285 MB memory PRESSURE: 800 -150.515 -39.4006 86.785 -39.4019 -260.964 11.3968 86.7847 11.3985 -108.55 GPRESSURE: 800 -94.4119 -19.3169 135.553 18.5609 -220.293 -25.5167 101.959 -0.33662 -107.972 PRESSAVG: 800 -52.7386 39.2045 21.3483 39.2046 6.84006 -28.6857 21.3483 -28.6856 2.15475 GPRESSAVG: 800 -53.04 38.1633 25.3472 41.281 7.68296 -29 19.8111 -30.1348 1.68906 Info: Benchmark time: 140 CPUs 0.00294941 s/step 0.0170684 days/ns 195.285 MB memory TIMING: 800 CPU: 2.53722, 0.00292854/step Wall: 2.53722, 0.00292854/step, 4.06677 hours remaining, 195.285156 MB of memory in use. ENERGY: 800 746.9061 2029.7715 1973.8385 113.8194 -206014.4711 17651.0102 0.0000 0.0000 34409.0147 -149090.1108 300.5025 -183499.1255 -148998.6843 299.8112 -173.3433 -140.8924 560633.5891 -14.5812 -14.5560 Info: Benchmark time: 140 CPUs 0.0029182 s/step 0.0168878 days/ns 195.285 MB memory PRESSURE: 1000 -46.9506 103.568 15.0613 103.567 -179.432 89.8757 15.0609 89.8766 -52.0805 GPRESSURE: 1000 -40.5714 139.687 -19.1537 44.6901 -173.23 74.3749 2.68339 53.5569 14.4113 PRESSAVG: 1000 -11.5667 14.5551 36.795 14.5551 0.76354 -51.6493 36.7951 -51.6492 -7.14812 GPRESSAVG: 1000 -11.4692 14.0324 33.4903 13.6157 0.631252 -50.3408 39.3339 -50.843 -7.67928 TIMING: 1000 CPU: 3.12057, 0.00291674/step Wall: 3.12057, 0.00291674/step, 4.05021 hours remaining, 195.285156 MB of memory in use. ENERGY: 1000 721.3687 2133.2401 1978.4913 121.2315 -206289.4169 17841.3311 0.0000 0.0000 34164.8513 -149328.9029 298.3701 -183493.7542 -149238.4435 299.9032 -92.8209 -66.4633 560594.6966 -5.9837 -6.1724 PRESSURE: 1200 -273.279 -70.781 -20.4086 -70.7808 -190.993 23.8617 -20.4075 23.8604 19.2261 GPRESSURE: 1200 -215.712 -36.8618 -2.90985 -70.1549 -193.954 -12.4424 24.3372 8.08692 67.3068 PRESSAVG: 1200 -40.4462 18.1791 -48.5187 18.1791 12.2893 2.26518 -48.5187 2.2651 61.6585 GPRESSAVG: 1200 -39.4294 17.5968 -46.3576 16.8228 11.0467 3.57962 -49.1022 0.422872 61.783 TIMING: 1200 CPU: 3.70228, 0.00290854/step Wall: 3.70228, 0.00290854/step, 4.03867 hours remaining, 195.285156 MB of memory in use. ENERGY: 1200 798.4765 2121.4967 1957.2284 126.9080 -206113.8930 17695.0995 0.0000 0.0000 34062.2582 -149352.4256 297.4742 -183414.6838 -149257.9062 299.5608 -148.3488 -114.1197 558724.7917 11.1672 11.1334 PRESSURE: 1400 -53.1656 32.1203 -80.1645 32.1196 235.634 0.651702 -80.1647 0.65061 117.351 GPRESSURE: 1400 35.2935 2.7596 -54.4342 -53.4794 254.704 102.397 -101.108 -26.8063 109.404 PRESSAVG: 1400 -58.7588 -55.3148 0.332466 -55.3148 34.8316 -16.6049 0.33249 -16.6049 -12.4145 GPRESSAVG: 1400 -61.0306 -54.6081 -0.89759 -55.2316 35.4852 -16.4625 -0.475816 -14.3082 -10.9682 TIMING: 1400 CPU: 4.28154, 0.00289631/step Wall: 4.28154, 0.00289631/step, 4.02153 hours remaining, 195.285156 MB of memory in use. ENERGY: 1400 743.4455 2084.6224 1969.7739 115.9302 -206427.9874 17942.3026 0.0000 0.0000 34302.2566 -149269.6562 299.5701 -183571.9128 -149170.0651 298.7663 99.9398 133.1339 557312.8665 -12.1139 -12.1712 PRESSURE: 1600 171.939 -211.225 52.0643 -211.224 123.636 -99.5789 52.0631 -99.5781 127.314 GPRESSURE: 1600 154.449 -160.342 18.8306 -177.025 176.81 -127.775 76.5179 -66.72 198.236 PRESSAVG: 1600 -77.7433 -18.2684 50.8751 -18.2684 90.6121 -52.4399 50.8752 -52.4399 1.43814 GPRESSAVG: 1600 -77.0856 -17.8246 51.186 -17.9117 91.3687 -55.6646 49.978 -53.582 0.250471 TIMING: 1600 CPU: 4.86217, 0.00290312/step Wall: 4.86217, 0.00290312/step, 4.03082 hours remaining, 195.285156 MB of memory in use. ENERGY: 1600 728.4794 2093.4528 1945.1234 98.6194 -206519.8718 17969.0295 0.0000 0.0000 34398.7676 -149286.3997 300.4130 -183685.1673 -149196.2993 299.5356 140.9631 176.4984 556942.2103 4.7690 4.8445 PRESSURE: 1800 109.475 41.153 -77.6388 41.1523 62.5962 161.833 -77.638 161.833 28.7719 GPRESSURE: 1800 140.09 -4.27385 -98.3463 59.244 106.141 81.4557 -116.408 185.907 55.1308 PRESSAVG: 1800 -60.6237 -39.7969 13.0224 -39.7971 70.1301 0.953267 13.0224 0.953336 -13.8313 GPRESSAVG: 1800 -61.6043 -39.7665 13.0072 -39.4347 70.9862 1.19626 12.4375 1.65527 -13.6725 TIMING: 1800 CPU: 5.43882, 0.00288328/step Wall: 5.43882, 0.00288328/step, 4.00311 hours remaining, 195.285156 MB of memory in use. ENERGY: 1800 709.9803 2094.9989 1934.3026 117.8603 -206229.9971 17796.4278 0.0000 0.0000 34159.6831 -149416.7441 298.3250 -183576.4272 -149321.7526 298.6997 66.9478 100.4538 556488.3040 -1.4417 -1.4302 PRESSURE: 2000 82.4209 28.0792 31.2461 28.08 97.7357 -98.5113 31.2446 -98.5112 63.9002 GPRESSURE: 2000 136.916 27.377 -10.3396 60.3027 73.4837 -180.531 -3.68713 -49.7061 140.031 PRESSAVG: 2000 -51.9713 -3.18629 51.9245 -3.18633 56.4633 -1.57572 51.9245 -1.57566 15.9039 GPRESSAVG: 2000 -50.4774 -2.14954 52.6551 -4.13833 55.2026 -0.492582 53.6427 -2.89238 15.5648 TIMING: 2000 CPU: 6.01862, 0.00289898/step Wall: 6.01862, 0.00289898/step, 4.02474 hours remaining, 195.285156 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: 2000 718.8075 2052.5090 1944.8208 122.5698 -206474.2879 17996.1133 0.0000 0.0000 34053.4245 -149586.0429 297.3970 -183639.4674 -149496.4612 298.1246 81.3523 116.8101 557117.0122 6.7986 6.7633 PRESSURE: 2200 -143.563 17.4901 -113.633 17.4903 -185.415 81.0046 -113.633 81.0037 11.2075 GPRESSURE: 2200 -99.7223 36.2938 -184.161 -88.055 -108.092 163.762 -112.263 3.13567 -6.74451 PRESSAVG: 2200 32.7483 79.4321 -23.7225 79.4321 -45.6789 14.3386 -23.7224 14.3387 65.4164 GPRESSAVG: 2200 32.0088 77.2014 -24.5813 80.6979 -46.0441 13.5789 -21.6965 14.0736 66.4699 TIMING: 2200 CPU: 6.59567, 0.00288527/step Wall: 6.59567, 0.00288527/step, 4.00556 hours remaining, 195.285156 MB of memory in use. ENERGY: 2200 722.4736 2139.6151 1915.7344 101.5035 -206269.5868 17624.4883 0.0000 0.0000 34149.3249 -149616.4470 298.2345 -183765.7719 -149524.0258 298.4419 -105.9236 -71.5196 557084.1193 17.4953 17.4782 PRESSURE: 2400 4.62858 -89.684 -168.666 -89.6833 111.765 -8.16443 -168.665 -8.16194 -125.7 GPRESSURE: 2400 40.1225 -130.378 -176.061 -106.496 129.789 26.7938 -192.67 23.919 -85.6229 PRESSAVG: 2400 -21.2724 30.6809 18.602 30.681 56.712 28.6536 18.602 28.6536 -5.50142 GPRESSAVG: 2400 -21.2097 32.0433 18.12 28.4447 54.9839 29.5431 17.904 29.3334 -4.34337 TIMING: 2400 CPU: 7.1715, 0.00287917/step Wall: 7.1715, 0.00287917/step, 3.99693 hours remaining, 195.382812 MB of memory in use. ENERGY: 2400 730.8912 2061.5323 1954.4081 118.7999 -206685.7493 17848.5503 0.0000 0.0000 34203.5152 -149768.0524 298.7078 -183971.5676 -149665.9459 297.9901 -3.1019 28.0962 556286.7507 9.9794 9.8103 PRESSURE: 2600 -111.836 -12.5318 144.815 -12.5333 -389.997 -87.7105 144.816 -87.7102 -42.6997 GPRESSURE: 2600 -76.9781 -56.7532 154.001 48.6928 -374.083 -137.086 129.136 -52.2201 7.27971 PRESSAVG: 2600 41.6675 -32.614 -0.766873 -32.6139 6.72181 -13.7991 -0.766877 -13.799 2.13225 GPRESSAVG: 2600 41.7445 -34.5023 -0.415913 -30.0201 7.06352 -15.259 -0.382717 -13.855 1.55536 TIMING: 2600 CPU: 7.74731, 0.00287902/step Wall: 7.74731, 0.00287902/step, 3.99657 hours remaining, 195.382812 MB of memory in use. ENERGY: 2600 755.8046 2092.7662 1959.9961 129.4600 -206336.5921 17757.0109 0.0000 0.0000 33947.3307 -149694.2236 296.4705 -183641.5543 -149598.1864 298.2345 -181.5107 -147.9272 558436.6352 16.8405 16.7878 PRESSURE: 2800 38.9222 69.3546 -32.7547 69.3543 -0.877981 89.4952 -32.754 89.4941 42.3713 GPRESSURE: 2800 49.8412 101.903 -83.7747 71.8407 27.7806 48.8369 -6.91031 35.9078 86.8741 PRESSAVG: 2800 7.09255 -23.9645 27.9403 -23.9645 -76.3192 -14.168 27.9403 -14.168 63.2411 GPRESSAVG: 2800 7.8557 -22.6663 27.127 -24.0983 -76.1134 -14.7766 28.2345 -13.0886 62.483 TIMING: 2800 CPU: 8.32249, 0.00287589/step Wall: 8.32249, 0.00287589/step, 3.99205 hours remaining, 195.382812 MB of memory in use. ENERGY: 2800 737.1728 2075.1180 1967.5472 117.1976 -206571.6973 17883.4195 0.0000 0.0000 34109.9751 -149681.2671 297.8909 -183791.2422 -149591.8533 298.3404 26.8052 54.8320 556559.2500 -1.9952 -1.9249 PRESSURE: 3000 38.2137 -15.0787 -30.5073 -15.079 -53.5509 -93.5225 -30.5086 -93.5219 -44.0052 GPRESSURE: 3000 108.637 -14.9105 -59.2768 -110.69 -27.366 -106.437 -35.1021 -144.963 -44.9997 PRESSAVG: 3000 49.5743 28.6041 11.661 28.6041 -54.915 -10.3594 11.661 -10.3596 25.9247 GPRESSAVG: 3000 49.6735 26.8569 11.2803 28.0614 -53.7714 -9.27118 9.55037 -12.029 25.4352 TIMING: 3000 CPU: 8.8971, 0.00287304/step Wall: 8.89709, 0.00287304/step, 3.98794 hours remaining, 195.382812 MB of memory in use. ENERGY: 3000 765.0076 2140.8852 1935.1760 119.3481 -206451.2141 17893.8245 0.0000 0.0000 34021.4145 -149575.5582 297.1175 -183596.9727 -149476.7455 298.5268 -19.7808 12.0903 557782.7098 6.8613 7.1124 PRESSURE: 3200 153.153 -49.066 239.581 -49.0656 135.175 21.6908 239.582 21.6893 160.606 GPRESSURE: 3200 204.812 -113.735 250.808 -18.5651 160.677 -8.42071 248.266 7.87474 176.656 PRESSAVG: 3200 -43.1181 -67.6503 39.0918 -67.6503 28.9095 28.7965 39.0919 28.7964 14.2153 GPRESSAVG: 3200 -44.0961 -66.5615 40.3987 -68.1222 28.4219 29.6605 39.7053 29.392 15.7107 TIMING: 3200 CPU: 9.47366, 0.00288284/step Wall: 9.47366, 0.00288284/step, 4.00138 hours remaining, 195.382812 MB of memory in use. ENERGY: 3200 733.4532 2056.3169 1964.6127 115.6361 -206750.0579 18033.1662 0.0000 0.0000 34263.0873 -149583.7856 299.2281 -183846.8728 -149484.2581 298.8449 149.6442 180.7150 556719.5640 0.0023 0.0122 PRESSURE: 3400 -109.66 -284.354 -51.8886 -284.354 82.2646 -56.9533 -51.8892 -56.9533 -163.878 GPRESSURE: 3400 -38.2144 -266.466 -57.8652 -205.33 111.837 -81.3922 -34.0544 -4.83527 -169.737 PRESSAVG: 3400 -64.6154 -74.3377 -19.9225 -74.3378 44.8117 -14.6371 -19.9227 -14.637 21.8599 GPRESSAVG: 3400 -64.3564 -74.7956 -18.119 -72.5676 45.3179 -13.3696 -20.2248 -14.6452 20.9897 TIMING: 3400 CPU: 10.0475, 0.00286916/step Wall: 10.0475, 0.00286916/step, 3.98224 hours remaining, 195.382812 MB of memory in use. ENERGY: 3400 766.2267 2121.2056 1943.8295 113.4129 -206553.4017 17941.8913 0.0000 0.0000 34176.1605 -149490.6751 298.4689 -183666.8356 -149393.4965 298.7413 -63.7577 -32.0381 557544.1055 0.6854 0.6504 PRESSURE: 3600 -60.3462 3.69335 59.5144 3.69348 120.762 82.9185 59.514 82.9184 -104.9 GPRESSURE: 3600 15.8306 -70.9441 77.6786 -41.9757 98.846 68.9329 38.4419 27.734 -64.536 PRESSAVG: 3600 -31.8401 -40.0498 19.0591 -40.0498 115.223 -18.7557 19.0591 -18.7557 -79.2488 GPRESSAVG: 3600 -31.1963 -41.1192 18.5925 -40.1732 114.607 -20.5533 19.2308 -18.3508 -79.9012 TIMING: 3600 CPU: 10.6268, 0.00289651/step Wall: 10.6268, 0.0028965/step, 4.02003 hours remaining, 195.382812 MB of memory in use. ENERGY: 3600 760.2481 2113.6910 1906.8033 116.4060 -206526.0335 17916.5381 0.0000 0.0000 34279.4746 -149432.8725 299.3712 -183712.3471 -149336.9751 298.8343 -14.8279 16.7135 557995.0318 1.3782 1.1699 PRESSURE: 3800 -104.193 77.3446 -192.487 77.3452 -67.2155 -3.62147 -192.486 -3.6203 -137.4 GPRESSURE: 3800 -117.123 73.998 -136.574 86.7127 9.69589 -24.3352 -256.658 70.319 -114.125 PRESSAVG: 3800 -16.5905 -13.3286 -21.1952 -13.3286 -8.93454 -19.2248 -21.195 -19.2246 1.37064 GPRESSAVG: 3800 -16.9727 -13.3411 -21.8803 -13.1922 -8.52053 -18.1167 -21.8533 -19.694 1.41642 TIMING: 3800 CPU: 11.2059, 0.00289551/step Wall: 11.2059, 0.00289551/step, 4.01848 hours remaining, 195.382812 MB of memory in use. ENERGY: 3800 772.0223 2124.2954 1951.3082 120.6998 -206304.1973 17832.7972 0.0000 0.0000 34193.8498 -149309.2246 298.6234 -183503.0744 -149215.6367 299.1903 -102.9362 -73.8508 559295.5525 -8.0515 -8.0256 PRESSURE: 4000 19.086 -108.313 -56.1611 -108.314 -2.5366 61.4346 -56.162 61.4355 -174.004 GPRESSURE: 4000 115.147 -58.6917 -90.4984 -128.084 43.1667 81.5412 33.1945 47.3701 -221.496 PRESSAVG: 4000 8.65331 14.5173 -47.3972 14.5174 -55.2834 27.0162 -47.3972 27.0161 34.9078 GPRESSAVG: 4000 8.5701 14.6725 -47.3986 14.497 -54.5268 28.1632 -46.4199 26.5423 34.5185 TIMING: 4000 CPU: 11.7844, 0.00289261/step Wall: 11.7844, 0.00289261/step, 4.0143 hours remaining, 195.382812 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: 4000 723.2123 2125.7152 1931.4765 112.3974 -205941.2745 17699.1840 0.0000 0.0000 34067.2424 -149282.0466 297.5177 -183349.2890 -149191.2419 299.1374 -52.4850 -21.0608 559563.3156 -3.9074 -3.8128 PRESSURE: 4200 -38.3679 -69.6758 113.136 -69.6763 -114.078 -65.4873 113.137 -65.4868 -55.1745 GPRESSURE: 4200 -18.0005 -13.6578 135.938 -92.2097 -105.799 -131.634 31.0648 -176.329 8.99994 PRESSAVG: 4200 37.6788 -43.871 19.0214 -43.871 -41.3364 21.3059 19.0214 21.3059 -20.3707 GPRESSAVG: 4200 37.8315 -45.5123 19.7022 -42.6628 -42.584 20.1038 20.0619 20.4625 -19.7369 TIMING: 4200 CPU: 12.3667, 0.00291153/step Wall: 12.3667, 0.00291152/step, 4.04039 hours remaining, 195.382812 MB of memory in use. ENERGY: 4200 755.8456 2070.3857 1923.7366 105.7062 -206185.7961 17724.4868 0.0000 0.0000 34396.2137 -149209.4214 300.3907 -183605.6350 -149104.0634 298.7110 -69.2069 -38.2664 557944.9680 -8.0094 -8.1631 LDB: ============= START OF LOAD BALANCING ============== 15.7509 LDB: ============== END OF LOAD BALANCING =============== 15.7511 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15.7529 LDB: ============= START OF LOAD BALANCING ============== 16.0428 LDB: Largest compute 4820 load 0.027235 is 23.2% of average load 0.117398 LDB: Average compute 0.001702 is 1.4% of average load 0.117398 LDB: TIME 16.0451 LOAD: AVG 0.117398 MAX 0.178729 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.637 MB LDB: TIME 16.0454 LOAD: AVG 0.117398 MAX 0.178729 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.703 MB LDB: TIME 16.0455 LOAD: AVG 0.117398 MAX 0.178729 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 16.0473 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16.0513 PRESSURE: 4400 -18.9577 -62.6661 167.059 -62.6658 -155.849 98.8074 167.059 98.8084 -147.455 GPRESSURE: 4400 13.931 -92.5057 180.23 -62.4296 -98.4687 153.992 192.289 -4.1033 -122.892 PRESSAVG: 4400 37.9732 -28.7505 51.8888 -28.7505 -10.8647 -52.5118 51.8888 -52.5117 -7.42265 GPRESSAVG: 4400 37.5872 -26.7319 51.3928 -30.3993 -10.0257 -52.2064 50.203 -50.6563 -7.50966 TIMING: 4400 CPU: 12.9557, 0.0029449/step Wall: 12.9557, 0.0029449/step, 4.08655 hours remaining, 195.617188 MB of memory in use. ENERGY: 4400 758.5750 2062.4575 1945.5701 116.3745 -206068.8540 17725.5577 0.0000 0.0000 34244.5938 -149215.7254 299.0666 -183460.3192 -149112.5079 298.4192 -107.4206 -69.1433 559886.7556 6.5620 6.6839 PRESSURE: 4600 -231.817 -21.2485 133.61 -21.2483 -74.9864 124.075 133.609 124.074 -294.295 GPRESSURE: 4600 -145.474 -105.793 32.5194 81.7268 -83.0905 192.766 176.748 58.2085 -268.031 PRESSAVG: 4600 71.6369 -37.1447 49.5565 -37.1447 6.13706 7.05478 49.5566 7.05483 -62.0409 GPRESSAVG: 4600 72.03 -36.5175 50.7176 -39.1206 4.85751 8.0798 48.9101 4.77052 -61.3453 TIMING: 4600 CPU: 13.5335, 0.00288893/step Wall: 13.5335, 0.00288893/step, 4.00871 hours remaining, 195.617188 MB of memory in use. ENERGY: 4600 782.1135 2097.8888 1957.0471 101.3411 -205979.5567 17580.7543 0.0000 0.0000 34290.1179 -149170.2940 299.4641 -183460.4119 -149078.0335 299.4074 -200.3663 -165.5321 558012.4655 5.2443 5.1807 PRESSURE: 4800 23.9301 84.2681 -184.856 84.2684 -152.819 125.092 -184.856 125.092 138.59 GPRESSURE: 4800 64.7272 -7.13281 -128.215 30.0586 -132.757 126.202 -275.033 125.148 177.052 PRESSAVG: 4800 62.132 19.8225 23.0585 19.8225 59.221 40.349 23.0584 40.3491 -55.9478 GPRESSAVG: 4800 62.4815 18.525 22.8788 20.7863 60.8346 39.5441 22.2412 42.5678 -57.7815 TIMING: 4800 CPU: 14.1145, 0.00290511/step Wall: 14.1145, 0.00290511/step, 4.031 hours remaining, 195.617188 MB of memory in use. ENERGY: 4800 733.2072 2129.3052 1944.2692 105.7706 -206012.9344 17637.7564 0.0000 0.0000 34095.4084 -149367.2174 297.7637 -183462.6258 -149275.2535 299.2902 3.2337 36.3408 556699.1834 21.8018 21.8449 PRESSURE: 5000 66.266 205.744 -28.7603 205.744 -45.372 122.36 -28.7612 122.359 -150.736 GPRESSURE: 5000 66.4853 144.444 -15.6313 262.984 -9.16875 125.475 76.2693 160.017 -85.3755 PRESSAVG: 5000 0.408686 16.5863 -51.4756 16.5864 26.9035 12.4582 -51.4755 12.4582 -44.7331 GPRESSAVG: 5000 -0.340639 17.2225 -50.2268 16.251 26.7137 11.511 -48.8782 12.4959 -44.6532 TIMING: 5000 CPU: 14.6953, 0.0029038/step Wall: 14.6953, 0.0029038/step, 4.02902 hours remaining, 195.617188 MB of memory in use. ENERGY: 5000 783.3202 2064.0321 1979.0602 119.8320 -206395.6187 17855.6546 0.0000 0.0000 34320.4850 -149273.2345 299.7293 -183593.7195 -149174.9214 298.8042 -43.2805 -9.3530 556254.3956 -5.8070 -6.0934 PRESSURE: 5200 -273.398 -87.2091 -11.1652 -87.2102 -52.6629 -100.111 -11.1657 -100.113 -136.941 GPRESSURE: 5200 -176.354 -132.019 -56.3316 -40.4821 -63.8081 -43.0043 -32.9326 -112.544 -112.961 PRESSAVG: 5200 -66.1022 -1.94136 -19.8387 -1.94133 11.5068 -18.4793 -19.8387 -18.4794 79.923 GPRESSAVG: 5200 -65.7281 -0.803129 -20.0243 -1.62218 10.7292 -17.6568 -21.5047 -18.4674 80.3672 TIMING: 5200 CPU: 15.2762, 0.00290448/step Wall: 15.2762, 0.00290448/step, 4.02981 hours remaining, 195.617188 MB of memory in use. ENERGY: 5200 787.0461 2100.9636 1958.4243 121.5602 -206416.7430 17679.8639 0.0000 0.0000 34482.9787 -149285.9062 301.1484 -183768.8849 -149191.3927 299.7040 -154.3342 -117.7078 555612.4803 8.4425 8.4561 PRESSURE: 5400 -59.2591 -113.774 -218.142 -113.774 33.007 -211.928 -218.142 -211.93 28.5008 GPRESSURE: 5400 1.52445 -138.397 -200.872 -96.3023 79.5599 -165.676 -278.951 -191.612 11.4345 PRESSAVG: 5400 -34.8299 -23.7638 -56.253 -23.7637 1.83964 4.45171 -56.2528 4.45176 -39.8334 GPRESSAVG: 5400 -35.4004 -24.5272 -58.1418 -23.5871 2.36722 3.07065 -55.8096 2.86562 -40.1746 TIMING: 5400 CPU: 15.8514, 0.0028759/step Wall: 15.8514, 0.0028759/step, 3.99 hours remaining, 195.617188 MB of memory in use. ENERGY: 5400 731.0607 2129.4461 1943.4588 107.4043 -206340.9878 17730.0890 0.0000 0.0000 34188.5562 -149510.9727 298.5772 -183699.5289 -149412.4235 299.5142 0.7496 30.8396 555574.5140 -24.2746 -24.4026 PRESSURE: 5600 55.3818 -306.187 108.775 -306.187 -132.507 -150.048 108.775 -150.048 52.3048 GPRESSURE: 5600 83.0435 -343.473 46.8238 -270.528 -81.7059 -94.0537 94.9405 -218.862 88.0609 PRESSAVG: 5600 18.5619 -38.313 -33.7658 -38.3129 -2.43374 -12.7739 -33.7658 -12.7739 -1.29341 GPRESSAVG: 5600 19.6921 -36.9882 -33.3851 -38.3457 -2.53766 -15.1129 -34.1603 -10.2733 -2.18565 TIMING: 5600 CPU: 16.4284, 0.00288523/step Wall: 16.4284, 0.00288523/step, 4.00277 hours remaining, 195.617188 MB of memory in use. ENERGY: 5600 752.7050 2145.4061 1963.3386 106.0323 -206594.3559 17803.3498 0.0000 0.0000 34228.6282 -149594.8960 298.9271 -183823.5242 -149495.7128 298.8003 -8.2736 29.7995 554960.8019 4.9449 4.9896 PRESSURE: 5800 -122.552 192.229 39.621 192.228 -26.5563 -42.4547 39.6203 -42.4542 -164.233 GPRESSURE: 5800 -73.3166 170.797 29.3022 192.195 22.522 -130.56 87.6371 -4.65075 -158.561 PRESSAVG: 5800 8.03467 -11.5916 -39.899 -11.5917 -16.2695 -13.1303 -39.899 -13.1304 21.4349 GPRESSAVG: 5800 6.15604 -13.234 -39.3008 -10.9498 -15.7548 -10.9567 -38.7838 -14.4207 22.5711 TIMING: 5800 CPU: 17.0053, 0.00288463/step Wall: 17.0053, 0.00288463/step, 4.00178 hours remaining, 195.664062 MB of memory in use. ENERGY: 5800 742.9795 2092.0190 1956.5054 117.4534 -206391.1907 17878.4103 0.0000 0.0000 34114.3445 -149489.4786 297.9291 -183603.8231 -149396.6185 298.5652 -104.4471 -69.7853 557302.8681 4.4000 4.3241 PRESSURE: 6000 35.9073 86.3338 11.5022 86.333 -107.81 3.50175 11.502 3.50103 187.831 GPRESSURE: 6000 36.0551 7.87266 -48.9069 135.296 -69.4313 19.2498 -8.50817 123.546 235.562 PRESSAVG: 6000 1.01028 -47.0128 -14.0799 -47.0128 -43.3438 -42.1312 -14.0798 -42.1311 21.6484 GPRESSAVG: 6000 1.38603 -46.3767 -15.7253 -46.3995 -44.7814 -39.8766 -14.4309 -44.4944 22.3279 TIMING: 6000 CPU: 17.5853, 0.00290002/step Wall: 17.5853, 0.00290002/step, 4.02297 hours remaining, 195.664062 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: 6000 735.6806 2102.8499 1936.8538 113.0655 -205899.7119 17585.3521 0.0000 0.0000 34047.9490 -149377.9609 297.3492 -183425.9100 -149283.3176 297.9654 38.6427 67.3951 556794.8411 -6.8950 -7.0225 PRESSURE: 6200 52.6554 94.4337 -6.71848 94.4345 105.073 -17.5516 -6.7186 -17.5522 84.7211 GPRESSURE: 6200 96.2177 109.943 -4.49529 150.855 144.079 -115.615 -23.6233 -30.6631 88.6021 PRESSAVG: 6200 -14.442 33.8678 2.44721 33.8678 10.1428 10.6088 2.44706 10.6089 28.7548 GPRESSAVG: 6200 -14.6047 33.4153 3.15724 30.7008 10.874 8.91198 2.38372 12.3001 27.9165 TIMING: 6200 CPU: 18.1629, 0.00288764/step Wall: 18.1629, 0.00288764/step, 4.00564 hours remaining, 195.671875 MB of memory in use. ENERGY: 6200 741.9018 2108.5212 1915.5351 104.5638 -206728.5310 17974.2324 0.0000 0.0000 34275.3958 -149608.3808 299.3356 -183883.7766 -149514.8876 298.7671 80.8165 109.6328 556713.4217 8.1519 8.0619 PRESSURE: 6400 61.2897 27.0029 -192.668 27.0023 -3.75372 24.179 -192.668 24.1785 -123.544 GPRESSURE: 6400 74.5712 -40.8636 -137.811 89.1809 8.5296 -97.5612 -143.4 121.517 -52.1533 PRESSAVG: 6400 62.9694 -6.9542 24.4826 -6.95419 -5.81007 5.23143 24.4826 5.23145 -54.9525 GPRESSAVG: 6400 63.3435 -6.58116 23.1622 -5.31677 -6.53737 5.10855 26.5546 5.03963 -54.5402 TIMING: 6400 CPU: 18.7427, 0.00289935/step Wall: 18.7427, 0.00289935/step, 4.02172 hours remaining, 195.671875 MB of memory in use. ENERGY: 6400 770.2006 2063.3871 1956.5927 125.9666 -207004.0897 18150.3902 0.0000 0.0000 34343.4377 -149594.1148 299.9298 -183937.5525 -149494.6043 298.2543 -22.0026 10.3159 557333.3114 0.7356 0.7553 PRESSURE: 6600 -181.969 -85.8533 -40.9636 -85.8547 -124.713 -79.3666 -40.9628 -79.3665 205.01 GPRESSURE: 6600 -109.447 -112.195 -70.3162 -84.2767 -69.1671 -122.303 -55.3959 -49.5933 171.789 PRESSAVG: 6600 83.9815 -35.2791 -26.0315 -35.2791 -3.96587 -28.5031 -26.0315 -28.503 -42.8702 GPRESSAVG: 6600 82.7919 -36.4426 -25.1748 -35.3836 -3.22328 -28.5101 -27.3423 -27.5216 -43.1363 TIMING: 6600 CPU: 19.3276, 0.00292435/step Wall: 19.3276, 0.00292435/step, 4.05623 hours remaining, 195.671875 MB of memory in use. ENERGY: 6600 776.8519 2118.3423 1950.0372 99.2165 -206400.4846 17736.2563 0.0000 0.0000 34236.1830 -149483.5974 298.9931 -183719.7805 -149388.2427 298.6171 -33.8907 -2.2750 557506.2421 12.3818 12.1441 PRESSURE: 6800 12.0043 7.67849 32.4716 7.67839 -148.084 -57.3923 32.4709 -57.3917 167.095 GPRESSURE: 6800 56.7762 -13.5814 -5.18882 87.8075 -74.9158 -4.37122 15.7331 -95.4306 148.743 PRESSAVG: 6800 12.7041 -14.6849 -19.9376 -14.6849 30.9463 11.8698 -19.9377 11.8698 -13.4158 GPRESSAVG: 6800 12.542 -13 -17.9885 -14.7284 31.7649 11.6711 -20.3419 8.50535 -13.5307 TIMING: 6800 CPU: 19.9052, 0.00288799/step Wall: 19.9052, 0.00288799/step, 4.00564 hours remaining, 195.671875 MB of memory in use. ENERGY: 6800 717.5319 2122.2699 1930.6949 117.3661 -206372.2833 17776.2540 0.0000 0.0000 34128.0772 -149580.0894 298.0490 -183708.1666 -149492.8769 298.2544 10.3385 43.5344 557752.5088 10.0782 10.2587 PRESSURE: 7000 19.1201 111.548 36.7707 111.549 -123.193 -132.042 36.7707 -132.043 -65.0406 GPRESSURE: 7000 16.4201 123.945 63.1269 115.382 -49.8675 -102.574 85.6256 -119.132 -33.7862 PRESSAVG: 7000 11.8814 24.4191 16.4767 24.4192 -66.8464 34.6093 16.4767 34.6093 -3.22238 GPRESSAVG: 7000 12.7212 23.0334 15.4276 25.3455 -66.5524 34.8763 16.3156 37.8403 -4.25778 TIMING: 7000 CPU: 20.4843, 0.00289541/step Wall: 20.4843, 0.00289541/step, 4.01577 hours remaining, 195.902344 MB of memory in use. ENERGY: 7000 753.4818 2083.3760 1945.0222 115.4023 -206635.7892 17888.3417 0.0000 0.0000 34145.5072 -149704.6580 298.2012 -183850.1652 -149608.6104 298.0187 -56.3710 -22.4112 558320.7354 -19.3958 -19.3630 PRESSURE: 7200 218.539 211.199 -62.01 211.198 -83.9104 61.9514 -62.0101 61.951 -310.995 GPRESSURE: 7200 222.869 115.645 -95.3054 251.871 -35.3685 55.2647 -76.7549 -8.88755 -273.853 PRESSAVG: 7200 66.7009 7.45235 -6.67549 7.45219 -37.4488 3.38085 -6.6755 3.38079 -38.6525 GPRESSAVG: 7200 66.1153 8.23066 -9.39518 6.71913 -37.7146 1.64199 -5.06181 2.12834 -37.9606 TIMING: 7200 CPU: 21.0632, 0.00289445/step Wall: 21.0632, 0.00289445/step, 4.01428 hours remaining, 195.902344 MB of memory in use. ENERGY: 7200 745.6907 2105.7886 1952.3277 117.1498 -206706.5668 17901.8380 0.0000 0.0000 34105.4818 -149778.2902 297.8517 -183883.7719 -149681.7514 298.4568 -58.7887 -28.7841 557042.9697 -3.1334 -3.1866 PRESSURE: 7400 -224.86 -39.9861 -135.806 -39.9876 -0.370144 145.874 -135.805 145.874 -232.075 GPRESSURE: 7400 -149.618 7.17754 -96.4499 -56.0981 -18.49 83.566 -149.405 115.956 -191.343 PRESSAVG: 7400 23.006 -6.34371 8.13594 -6.34366 16.1778 31.8792 8.13593 31.8793 -55.566 GPRESSAVG: 7400 22.9214 -6.24155 9.78349 -8.4802 16.0905 32.937 6.82974 33.0042 -55.9327 TIMING: 7400 CPU: 21.6449, 0.00290858/step Wall: 21.6449, 0.00290858/step, 4.03371 hours remaining, 195.902344 MB of memory in use. ENERGY: 7400 740.1952 2063.2168 1960.8926 111.1958 -206327.5004 17789.3079 0.0000 0.0000 34012.4118 -149650.2805 297.0389 -183662.6922 -149563.4400 297.5150 -152.4350 -119.8170 558134.5472 -5.4608 -5.6403 PRESSURE: 7600 88.4101 -32.5038 -157.878 -32.5037 -130.529 20.8227 -157.878 20.8225 -101.38 GPRESSURE: 7600 134.301 -9.74213 -81.7205 -14.3915 -131.827 -92.0086 -166.577 57.4369 -48.4939 PRESSAVG: 7600 -41.5708 35.9405 -38.2589 35.9406 6.99653 -8.46222 -38.2589 -8.46226 64.0905 GPRESSAVG: 7600 -39.7863 35.4164 -37.4662 35.836 5.94002 -8.47331 -39.6222 -8.2861 63.4151 TIMING: 7600 CPU: 22.221, 0.00288059/step Wall: 22.221, 0.00288059/step, 3.99474 hours remaining, 195.902344 MB of memory in use. ENERGY: 7600 757.6943 2042.2304 1944.1532 106.5977 -206357.3099 17748.8373 0.0000 0.0000 34090.6923 -149667.1047 297.7225 -183757.7970 -149572.6854 298.4443 -47.8330 -15.3400 556374.1968 9.8388 9.8563 PRESSURE: 7800 -81.896 -66.454 9.19876 -66.454 167.107 -197.305 9.198 -197.304 -68.7392 GPRESSURE: 7800 -53.0516 -32.228 35.314 -32.2232 173.639 -286.812 -31.0882 -94.7562 -0.528992 PRESSAVG: 7800 -73.4284 21.1879 30.1269 21.1879 91.3769 -39.0908 30.1269 -39.0909 29.1847 GPRESSAVG: 7800 -73.7928 21.6479 29.8404 24.1251 91.7851 -39.2292 28.662 -38.4771 28.8159 TIMING: 7800 CPU: 22.7956, 0.00287282/step Wall: 22.7956, 0.00287282/step, 3.98381 hours remaining, 195.902344 MB of memory in use. ENERGY: 7800 708.8698 2131.3209 1958.0567 114.9062 -206495.3627 17863.6367 0.0000 0.0000 34233.2823 -149485.2900 298.9678 -183718.5723 -149388.5297 298.3049 5.4905 40.0196 556214.5057 15.7111 15.6027 PRESSURE: 8000 -170.044 11.023 -4.82934 11.0233 -30.1538 -8.8642 -4.82919 -8.86451 277.313 GPRESSURE: 8000 -131.578 -59.3675 -70.6285 58.372 11.301 -20.3997 7.01436 -7.74079 277.857 PRESSAVG: 8000 -14.9162 -7.047 6.90378 -7.04698 -13.0279 -28.2167 6.9038 -28.2167 43.6472 GPRESSAVG: 8000 -16.6977 -7.31795 6.22434 -7.20736 -12.7998 -27.7946 9.8649 -27.2552 45.1296 TIMING: 8000 CPU: 23.3757, 0.00290081/step Wall: 23.3757, 0.00290081/step, 4.02245 hours remaining, 195.902344 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: 8000 707.6230 2127.1616 1976.0385 115.2976 -206189.8398 17813.9377 0.0000 0.0000 34089.9324 -149359.8489 297.7159 -183449.7814 -149262.4513 298.4219 25.7053 52.5269 558229.6116 5.2344 5.2107 PRESSURE: 8200 -117.81 4.71043 -52.5774 4.71101 8.86222 -143.468 -52.5777 -143.469 -71.3629 GPRESSURE: 8200 -60.4096 72.2406 -103.992 -10.9549 13.4099 -141.54 30.0275 -156.319 -42.0257 PRESSAVG: 8200 -34.3328 1.89819 -38.693 1.8982 -2.99455 22.5322 -38.6929 22.5322 61.9786 GPRESSAVG: 8200 -34.2903 2.19492 -37.864 -0.354104 -3.22755 24.9345 -39.5757 19.3231 61.8772 TIMING: 8200 CPU: 23.9575, 0.00290885/step Wall: 23.9575, 0.00290885/step, 4.03344 hours remaining, 195.902344 MB of memory in use. ENERGY: 8200 778.4865 2142.6972 1950.9978 117.7877 -206182.2317 17753.4521 0.0000 0.0000 34122.6121 -149316.1982 298.0013 -183438.8103 -149218.0442 298.7811 -60.1037 -29.6752 558505.9070 8.2171 8.1198 LDB: ============= START OF LOAD BALANCING ============== 27.3451 LDB: ============== END OF LOAD BALANCING =============== 27.3452 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 27.3467 LDB: ============= START OF LOAD BALANCING ============== 27.6364 LDB: Largest compute 4820 load 0.027814 is 23.7% of average load 0.117558 LDB: Average compute 0.001704 is 1.4% of average load 0.117558 LDB: TIME 27.6387 LOAD: AVG 0.117558 MAX 0.180227 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.723 MB LDB: TIME 27.639 LOAD: AVG 0.117558 MAX 0.180227 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.93 MB LDB: TIME 27.6391 LOAD: AVG 0.117558 MAX 0.180227 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.93 MB LDB: ============== END OF LOAD BALANCING =============== 27.6409 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 27.6448 PRESSURE: 8400 165.209 -213.585 64.9569 -213.587 197.798 71.4168 64.9553 71.4173 239.177 GPRESSURE: 8400 215.072 -212.842 116.64 -160.35 263.661 160.222 47.9381 40.6944 219.664 PRESSAVG: 8400 -56.5084 0.422054 -41.2505 0.422055 51.8059 -1.47948 -41.2505 -1.47958 -21.327 GPRESSAVG: 8400 -55.784 1.24342 -41.3517 1.61294 51.0269 -1.90132 -42.9663 0.255278 -21.5213 TIMING: 8400 CPU: 24.549, 0.00295751/step Wall: 24.549, 0.00295751/step, 4.10075 hours remaining, 198.230469 MB of memory in use. ENERGY: 8400 742.2110 2076.0797 1971.6082 116.7503 -206582.8460 18139.2556 0.0000 0.0000 34290.3376 -149246.6036 299.4660 -183536.9412 -149155.8420 298.6762 200.7279 232.7994 557282.4468 -8.6765 -8.7595 PRESSURE: 8600 -61.8969 87.7426 -28.3696 87.7428 -133.108 -6.11597 -28.3694 -6.11537 208.093 GPRESSURE: 8600 -64.6086 68.7446 -21.0946 59.6828 -83.3512 -13.7832 -95.426 8.23072 272.742 PRESSAVG: 8600 -84.4306 -1.08439 -25.887 -1.08442 38.4396 15.7467 -25.887 15.7468 3.27335 GPRESSAVG: 8600 -84.9592 -0.0943862 -28.0874 -0.701919 38.7698 14.5623 -24.2751 15.1514 2.76718 TIMING: 8600 CPU: 25.1273, 0.00289164/step Wall: 25.1273, 0.00289164/step, 4.00926 hours remaining, 198.300781 MB of memory in use. ENERGY: 8600 778.8182 2091.4498 1967.5579 125.9868 -206520.1662 18007.2598 0.0000 0.0000 34141.7920 -149407.3016 298.1688 -183549.0936 -149310.2388 299.3723 4.3628 41.5942 558164.3603 -14.2392 -14.4741 PRESSURE: 8800 -58.3025 -225.486 -57.8011 -225.487 257.511 29.8945 -57.8003 29.8932 -126.727 GPRESSURE: 8800 43.4953 -246.981 -182.033 -209.491 196.746 5.55006 -37.5842 39.6547 -75.8835 PRESSAVG: 8800 22.9061 -51.0586 9.24459 -51.0586 -38.6274 -26.5024 9.24461 -26.5024 28.1736 GPRESSAVG: 8800 23.4627 -53.1141 10.492 -51.4773 -38.3177 -26.551 7.8592 -26.2439 27.8634 TIMING: 8800 CPU: 25.7057, 0.00289202/step Wall: 25.7057, 0.00289202/step, 4.00962 hours remaining, 198.300781 MB of memory in use. ENERGY: 8800 742.8047 2100.4961 1945.9517 107.5967 -206325.7961 17985.4457 0.0000 0.0000 34111.5053 -149331.9958 297.9043 -183443.5011 -149228.2581 298.6731 24.1606 54.7860 557802.0365 4.1507 4.3361 PRESSURE: 9000 138.49 -225.846 184.955 -225.846 -430.991 -115.557 184.955 -115.555 -182.912 GPRESSURE: 9000 171.157 -236.262 130.23 -220.092 -371.091 -211.54 189.411 13.573 -182.672 PRESSAVG: 9000 27.9243 -28.2155 16.8589 -28.2154 50.5035 35.4913 16.859 35.4912 -93.9097 GPRESSAVG: 9000 28.2167 -26.5941 17.3931 -29.3236 49.6486 34.4268 16.8999 36.5776 -93.2848 TIMING: 9000 CPU: 26.2846, 0.00289452/step Wall: 26.2846, 0.00289452/step, 4.01293 hours remaining, 198.300781 MB of memory in use. ENERGY: 9000 743.4418 2060.0283 1964.2521 117.2394 -205965.3725 17427.5795 0.0000 0.0000 34182.1646 -149470.6667 298.5213 -183652.8313 -149373.3573 298.7198 -158.4709 -127.5353 557286.5206 -5.1607 -5.1398 PRESSURE: 9200 -119.402 -16.8541 33.5935 -16.8542 -24.1044 -22.7881 33.5923 -22.7867 -126.647 GPRESSURE: 9200 -115.432 92.0733 67.7985 -94.9149 -56.8175 50.0912 92.8699 -29.9726 -5.54968 PRESSAVG: 9200 -6.84406 -35.2639 35.6654 -35.2639 -32.9731 30.0429 35.6656 30.043 23.7325 GPRESSAVG: 9200 -6.19353 -35.6451 35.8847 -35.556 -33.5095 30.5085 35.1692 28.7964 23.6131 TIMING: 9200 CPU: 26.8655, 0.00290445/step Wall: 26.8655, 0.00290445/step, 4.02654 hours remaining, 198.300781 MB of memory in use. ENERGY: 9200 744.4845 2096.9606 1943.5048 115.8787 -206066.8982 17622.0355 0.0000 0.0000 34153.6006 -149390.4335 298.2719 -183544.0341 -149294.5189 297.8027 -90.0510 -59.2665 556679.5920 -5.3616 -5.3633 PRESSURE: 9400 -376.702 -61.096 151.274 -61.0958 -159.499 7.17103 151.273 7.17096 54.6199 GPRESSURE: 9400 -349.141 -47.022 85.0966 -122.368 -132.27 39.2344 199.555 -53.8866 92.2769 PRESSAVG: 9400 -29.3162 -42.3241 -14.7609 -42.3241 -30.9836 26.5897 -14.761 26.5897 66.0029 GPRESSAVG: 9400 -29.8217 -41.4217 -14.4247 -41.8213 -31.5103 28.0446 -14.7821 25.4421 67.2353 TIMING: 9400 CPU: 27.4483, 0.00291412/step Wall: 27.4483, 0.00291412/step, 4.03978 hours remaining, 198.300781 MB of memory in use. ENERGY: 9400 780.7423 2079.0613 1982.1906 116.4216 -206089.9357 17621.3662 0.0000 0.0000 34201.8380 -149308.3158 298.6932 -183510.1537 -149217.5541 299.2090 -160.5270 -129.7113 557094.5692 1.9010 1.9678 PRESSURE: 9600 306.052 53.7597 -82.8566 53.7596 -119.729 45.5804 -82.8577 45.5811 -256.553 GPRESSURE: 9600 345.643 -17.8659 -109.647 35.3223 -105.401 52.5161 -84.911 158.491 -212.538 PRESSAVG: 9600 -58.3488 -59.6162 25.2334 -59.6162 -56.0842 54.401 25.2334 54.4008 63.6638 GPRESSAVG: 9600 -58.6145 -62.143 23.5389 -60.2628 -55.757 55.0508 26.2649 55.1676 63.6796 TIMING: 9600 CPU: 28.0275, 0.00289577/step Wall: 28.0275, 0.00289577/step, 4.01419 hours remaining, 198.300781 MB of memory in use. ENERGY: 9600 740.7262 2123.3970 1952.0745 104.8024 -206318.1495 17784.6801 0.0000 0.0000 34126.7011 -149485.7682 298.0370 -183612.4694 -149386.5125 299.3299 -23.4099 9.2349 557124.3194 -16.9231 -16.8973 PRESSURE: 9800 93.6669 136.805 178.707 136.805 60.2728 40.1766 178.707 40.1772 101.65 GPRESSURE: 9800 240.456 122.29 135.699 115.048 -15.7225 0.989313 230.979 117.866 137.696 PRESSAVG: 9800 12.7124 -38.9379 -30.7386 -38.9378 17.7635 27.4478 -30.7387 27.4479 35.099 GPRESSAVG: 9800 12.671 -37.1162 -31.2808 -37.6361 17.8504 26.1005 -30.7737 27.2992 35.3329 TIMING: 9800 CPU: 28.605, 0.00288747/step Wall: 28.605, 0.00288747/step, 4.00251 hours remaining, 198.300781 MB of memory in use. ENERGY: 9800 745.3444 2091.0986 1955.1867 109.1041 -206652.6269 18033.1846 0.0000 0.0000 34322.5008 -149396.2077 299.7469 -183718.7085 -149306.3481 298.6747 85.1965 120.8099 556284.0697 21.8583 21.9514 PRESSURE: 10000 172.024 110.46 -126.716 110.46 234.064 25.197 -126.716 25.1968 179.86 GPRESSURE: 10000 156.641 119.075 9.59168 137.82 307.526 -25.486 -104.55 6.94914 218.445 PRESSAVG: 10000 -20.8759 5.01613 0.524323 5.01612 -8.4257 58.062 0.524356 58.062 23.7972 GPRESSAVG: 10000 -20.9228 4.64647 1.33542 2.10583 -7.72503 56.3239 -0.160961 57.8317 22.7457 TIMING: 10000 CPU: 29.1831, 0.00289065/step Wall: 29.1831, 0.00289065/step, 4.00677 hours remaining, 198.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 10000 754.4032 2081.8233 1942.0047 105.5053 -206553.6040 18119.7479 0.0000 0.0000 34380.7876 -149169.3320 300.2560 -183550.1197 -149070.3571 299.1079 195.3156 227.5374 557467.8934 -1.8348 -1.9674 PRESSURE: 10200 -1.18199 -32.9139 -15.9478 -32.9134 -215.631 30.4278 -15.9481 30.4284 121.765 GPRESSURE: 10200 24.3478 51.988 -90.679 27.2366 -184.176 84.2621 66.3656 29.5906 159.031 PRESSAVG: 10200 -27.5945 -30.9623 -55.7004 -30.9623 26.6207 -0.389779 -55.7004 -0.389682 29.8324 GPRESSAVG: 10200 -27.4166 -29.0226 -55.087 -29.7437 25.8821 0.30337 -56.0416 0.852646 29.9142 TIMING: 10200 CPU: 29.7628, 0.00289854/step Wall: 29.7628, 0.00289854/step, 4.01754 hours remaining, 198.375000 MB of memory in use. ENERGY: 10200 725.4634 2071.9081 1965.2983 118.1766 -205966.3982 17792.9768 0.0000 0.0000 34252.7238 -149039.8512 299.1376 -183292.5751 -148940.3569 300.5886 -31.6828 -0.2656 558529.5273 9.6195 9.4599 PRESSURE: 10400 107.197 -16.8118 -3.07897 -16.8121 44.1006 17.0719 -3.07994 17.0697 -120.589 GPRESSURE: 10400 152.455 -77.1026 -66.9412 104.452 37.8844 107.635 -5.24186 3.32662 -60.0952 PRESSAVG: 10400 28.3109 -9.67208 -41.7325 -9.67212 -69.8067 -38.9524 -41.7326 -38.9524 26.7981 GPRESSAVG: 10400 28.2404 -14.4223 -42.2918 -9.20776 -69.9859 -38.7257 -41.3573 -39.4908 27.3482 TIMING: 10400 CPU: 30.339, 0.00288067/step Wall: 30.339, 0.00288067/step, 3.99261 hours remaining, 198.375000 MB of memory in use. ENERGY: 10400 765.5694 2076.8589 1931.8237 127.0974 -206290.7755 17952.9825 0.0000 0.0000 34493.0723 -148943.3712 301.2366 -183436.4435 -148845.8421 300.0115 10.2360 43.4147 557764.7361 -4.8993 -4.7991 PRESSURE: 10600 -332.376 -33.8076 43.3386 -33.8066 -18.9849 -150.737 43.3376 -150.738 60.5055 GPRESSURE: 10600 -325.65 -44.1796 49.0654 48.1939 10.1942 -120.777 -20.2889 -174.035 118.6 PRESSAVG: 10600 -48.7059 62.8196 -14.3004 62.8196 35.9603 -48.7557 -14.3004 -48.7558 -15.2473 GPRESSAVG: 10600 -48.3966 64.4568 -15.3692 63.8321 35.0705 -47.6883 -14.7005 -48.6544 -14.6114 TIMING: 10600 CPU: 30.9144, 0.00287707/step Wall: 30.9144, 0.00287707/step, 3.98747 hours remaining, 198.375000 MB of memory in use. ENERGY: 10600 764.2781 2173.7410 1941.3696 118.8923 -205654.0077 17519.8723 0.0000 0.0000 34265.3202 -148870.5343 299.2476 -183135.8544 -148778.3425 300.7057 -96.9517 -65.6185 557937.5383 -9.3310 -9.3125 PRESSURE: 10800 19.1913 -28.5542 -113.75 -28.5554 68.2838 -117.705 -113.75 -117.705 -35.3671 GPRESSURE: 10800 95.5623 68.9258 -117.085 -8.57928 67.9113 -73.871 -107.425 -224.141 18.7256 PRESSAVG: 10800 -73.3207 20.7135 -24.9572 20.7136 84.8651 -18.044 -24.9572 -18.0439 23.0433 GPRESSAVG: 10800 -72.563 20.4017 -23.8537 21.6651 85.7926 -17.1729 -24.7106 -20.2085 21.6168 TIMING: 10800 CPU: 31.4934, 0.00289501/step Wall: 31.4934, 0.00289501/step, 4.01216 hours remaining, 198.375000 MB of memory in use. ENERGY: 10800 702.0853 2113.5906 1959.2619 115.2290 -205959.2853 17629.2941 0.0000 0.0000 34358.0900 -149081.7344 300.0577 -183439.8244 -148988.5860 300.1266 17.3693 60.7331 558181.6179 11.5292 11.6154 PRESSURE: 11000 -336.944 65.3361 -33.2779 65.3375 -118.651 -74.1206 -33.2778 -74.1208 -261.249 GPRESSURE: 11000 -305.57 154.094 -120.019 -23.9259 -109.249 -49.7423 31.343 -73.7787 -198.618 PRESSAVG: 11000 -89.6411 -2.59283 -16.2787 -2.59287 36.235 -45.37 -16.2787 -45.3701 51.3355 GPRESSAVG: 11000 -89.4242 -0.326881 -18.7834 -5.75843 35.7661 -47.1852 -14.5881 -42.7357 51.7877 TIMING: 11000 CPU: 32.0743, 0.00290458/step Wall: 32.0743, 0.00290457/step, 4.02526 hours remaining, 198.375000 MB of memory in use. ENERGY: 11000 731.9899 2072.5987 1956.5489 114.5789 -205692.9947 17319.6449 0.0000 0.0000 34313.3140 -149184.3195 299.6667 -183497.6335 -149089.6214 299.4027 -238.9478 -204.4789 558084.2295 -0.6902 -0.6235 PRESSURE: 11200 -45.3704 -54.4675 -182.722 -54.4656 135.345 -34.6936 -182.723 -34.6949 -203.432 GPRESSURE: 11200 12.0158 -111.252 -173.507 17.7116 180.107 -64.4482 -253.824 30.1833 -211.37 PRESSAVG: 11200 -53.0948 -11.9184 -13.925 -11.9184 28.2047 8.39036 -13.925 8.39031 21.7794 GPRESSAVG: 11200 -54.1168 -13.298 -11.8309 -10.829 28.4248 8.07934 -14.658 7.51817 22.5272 TIMING: 11200 CPU: 32.6574, 0.00291568/step Wall: 32.6574, 0.00291568/step, 4.04048 hours remaining, 198.375000 MB of memory in use. ENERGY: 11200 725.3458 2116.2163 1921.2622 128.6177 -206308.1164 17833.2381 0.0000 0.0000 34317.2016 -149266.2348 299.7007 -183583.4364 -149175.0703 299.7466 -37.8190 -6.4156 557028.0097 -1.0369 -1.0549 PRESSURE: 11400 70.5082 -34.238 58.1377 -34.2388 19.8709 -144.672 58.1373 -144.671 -100.66 GPRESSURE: 11400 72.8021 40.0659 117.189 -48.6351 71.2473 -109.32 38.7523 -212.75 -45.8067 PRESSAVG: 11400 -6.89892 -36.387 -21.7244 -36.3869 15.2487 36.2751 -21.7244 36.275 -16.3162 GPRESSAVG: 11400 -6.11514 -38.1339 -20.2227 -34.6688 14.4687 35.9696 -23.131 38.9091 -16.4892 TIMING: 11400 CPU: 33.2372, 0.00289868/step Wall: 33.2372, 0.00289869/step, 4.01677 hours remaining, 198.390625 MB of memory in use. ENERGY: 11400 776.5323 2041.7019 1963.6242 108.4506 -206269.9098 17840.7437 0.0000 0.0000 34185.2033 -149353.6538 298.5479 -183538.8571 -149258.7646 299.5988 -3.4271 32.7476 556906.3132 -2.6555 -2.7119 PRESSURE: 11600 44.1547 -32.8113 -106.067 -32.8109 -18.4319 -186.539 -106.067 -186.54 -163.251 GPRESSURE: 11600 74.7228 23.2779 -82.4296 -65.5798 -17.4213 -228.089 -121.989 -163.175 -87.3486 PRESSAVG: 11600 39.5793 -11.5783 -15.8689 -11.5784 12.6506 -3.1835 -15.8689 -3.18349 -13.1518 GPRESSAVG: 11600 39.318 -8.76454 -17.4717 -13.2594 13.5036 -2.6884 -14.8534 -6.2772 -13.9848 TIMING: 11600 CPU: 33.815, 0.00288906/step Wall: 33.815, 0.00288906/step, 4.00328 hours remaining, 198.390625 MB of memory in use. ENERGY: 11600 754.5582 2031.0779 1971.7712 119.0324 -206577.1414 17896.9127 0.0000 0.0000 34382.7546 -149421.0344 300.2731 -183803.7890 -149324.5108 299.4533 -45.8428 -10.0157 555770.6184 13.0260 12.9456 PRESSURE: 11800 141.429 81.8256 118.538 81.8267 81.2652 -62.4293 118.537 -62.428 217.004 GPRESSURE: 11800 163.215 104.865 141.779 94.2997 57.762 -94.2954 8.74478 -55.5506 311.687 PRESSAVG: 11800 -25.607 26.6465 -21.2698 26.6466 -16.7094 -32.1812 -21.2698 -32.1812 38.964 GPRESSAVG: 11800 -25.6988 24.8713 -19.6406 25.4561 -16.8486 -32.9955 -20.9754 -30.751 39.3447 TIMING: 11800 CPU: 34.3952, 0.00290085/step Wall: 34.3952, 0.00290085/step, 4.01945 hours remaining, 198.390625 MB of memory in use. ENERGY: 11800 715.0043 2077.3636 1978.8141 103.1475 -206628.3443 17972.0563 0.0000 0.0000 34232.2133 -149549.7452 298.9584 -183781.9585 -149443.8639 298.0193 146.5661 177.5547 555307.6926 -1.1174 -1.0676 PRESSURE: 12000 65.9824 51.0749 42.035 51.0751 -42.3702 -74.1539 42.036 -74.1554 -195.815 GPRESSURE: 12000 84.2458 7.209 -23.1575 95.4782 14.206 -77.2757 66.4661 -106.53 -160.497 PRESSAVG: 12000 55.692 0.351813 46.9986 0.351873 -42.387 -10.4799 46.9986 -10.4798 9.75161 GPRESSAVG: 12000 54.9869 -0.0884091 48.0155 1.61839 -42.3564 -9.32384 45.6581 -10.8307 10.172 TIMING: 12000 CPU: 34.9753, 0.00290086/step Wall: 34.9753, 0.00290086/step, 4.01931 hours remaining, 198.390625 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: 12000 719.8254 2131.1864 1952.1772 114.2380 -206411.2068 17713.9294 0.0000 0.0000 34338.1838 -149441.6665 299.8839 -183779.8503 -149350.4889 298.9287 -57.4008 -20.6817 555100.3343 7.6855 7.6008 PRESSURE: 12200 -66.7765 -57.7976 109.444 -57.7972 -115.329 -63.9646 109.443 -63.9641 65.6312 GPRESSURE: 12200 -46.2216 -122.654 159.363 -113.259 -92.5784 -148.091 134.024 -31.3588 127.378 PRESSAVG: 12200 -47.6051 35.586 7.22095 35.586 -37.4064 -10.9582 7.22089 -10.9583 63.3563 GPRESSAVG: 12200 -46.7543 36.2983 4.71919 35.6683 -37.5531 -11.0946 9.59707 -10.8818 62.9204 TIMING: 12200 CPU: 35.5584, 0.00291541/step Wall: 35.5584, 0.00291541/step, 4.03929 hours remaining, 198.390625 MB of memory in use. ENERGY: 12200 711.4592 2063.2165 1945.7510 118.6124 -206236.9733 17773.8660 0.0000 0.0000 34211.3100 -149412.7583 298.7759 -183624.0683 -149316.3241 299.4327 -38.8249 -3.8072 556796.9259 -7.2184 -7.1290 LDB: ============= START OF LOAD BALANCING ============== 38.9453 LDB: ============== END OF LOAD BALANCING =============== 38.9455 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.9471 LDB: ============= START OF LOAD BALANCING ============== 39.2425 LDB: Largest compute 4820 load 0.029411 is 25.0% of average load 0.117648 LDB: Average compute 0.001710 is 1.5% of average load 0.117648 LDB: TIME 39.2449 LOAD: AVG 0.117648 MAX 0.180051 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.789 MB LDB: TIME 39.2451 LOAD: AVG 0.117648 MAX 0.180051 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.789 MB LDB: TIME 39.2452 LOAD: AVG 0.117648 MAX 0.180051 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.789 MB LDB: ============== END OF LOAD BALANCING =============== 39.2471 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 39.2512 PRESSURE: 12400 -133.758 -210.885 93.2611 -210.887 -276.371 58.0977 93.261 58.0994 -65.7873 GPRESSURE: 12400 -113.473 -68.8646 171.437 -207.212 -273.869 125.23 -5.26287 48.322 13.8028 PRESSAVG: 12400 2.94701 22.9265 56.3138 22.9266 -51.4192 -17.0398 56.3138 -17.0397 5.18453 GPRESSAVG: 12400 2.43895 23.5297 59.4144 22.5333 -51.0739 -17.4529 53.6489 -15.1391 5.63136 TIMING: 12400 CPU: 36.1557, 0.0029863/step Wall: 36.1557, 0.0029863/step, 4.13736 hours remaining, 198.000000 MB of memory in use. ENERGY: 12400 763.7668 2072.7625 1950.1133 117.9053 -205919.1199 17412.7876 0.0000 0.0000 34190.1529 -149411.6315 298.5911 -183601.7845 -149305.9593 298.9857 -158.6388 -124.5129 556159.4172 -14.4292 -14.3345 PRESSURE: 12600 58.915 48.6873 100.28 48.6859 -23.4442 -15.1327 100.279 -15.1328 172.071 GPRESSURE: 12600 96.7053 -50.3664 118.741 41.3137 6.99513 -30.2789 10.7189 -9.09395 204.449 PRESSAVG: 12600 -9.09989 -33.872 50.1162 -33.872 43.9832 -8.54175 50.1162 -8.54162 -31.7861 GPRESSAVG: 12600 -9.15582 -34.4372 47.935 -34.4026 44.4756 -8.90242 49.392 -9.52931 -32.2472 TIMING: 12600 CPU: 36.7405, 0.00292397/step Wall: 36.7405, 0.00292397/step, 4.05084 hours remaining, 198.000000 MB of memory in use. ENERGY: 12600 738.7858 2051.8527 1958.7494 126.1187 -206389.7999 17841.3591 0.0000 0.0000 34186.6527 -149486.2815 298.5605 -183672.9343 -149382.6595 298.9964 69.1805 102.7164 557042.8010 1.0324 1.0242 PRESSURE: 12800 -212.116 24.1294 -30.0921 24.1291 168.753 -49.1077 -30.0919 -49.1078 -67.0137 GPRESSURE: 12800 -188.659 68.2286 91.5078 122.569 196.395 50.4862 -12.5881 -145.82 -5.02362 PRESSAVG: 12800 -75.4686 32.131 15.3657 32.1309 71.8146 -35.8562 15.3656 -35.8563 22.2611 GPRESSAVG: 12800 -75.1942 32.9616 18.6967 31.0526 71.3933 -34.6727 15.9878 -37.2998 22.7999 TIMING: 12800 CPU: 37.3229, 0.00291218/step Wall: 37.3229, 0.00291218/step, 4.03435 hours remaining, 198.000000 MB of memory in use. ENERGY: 12800 747.9498 2063.5333 1984.5753 104.9334 -206080.5929 17728.1177 0.0000 0.0000 34038.6653 -149412.8182 297.2681 -183451.4834 -149313.2544 298.7345 -36.7923 0.9043 556018.9099 6.2024 6.3330 PRESSURE: 13000 305.103 80.9807 251.787 80.9808 3.14186 46.1432 251.786 46.1428 -48.2654 GPRESSURE: 13000 338.283 103.122 169.613 41.4585 30.4466 94.0146 290.595 118.888 -14.2386 PRESSAVG: 13000 0.0532868 -1.09957 17.6973 -1.09963 -7.56065 15.5203 17.6972 15.5203 14.7016 GPRESSAVG: 13000 0.193805 -2.59368 12.6601 1.24393 -7.2647 16.877 20.3283 15.7615 14.3175 TIMING: 13000 CPU: 37.9049, 0.00291015/step Wall: 37.9049, 0.00291015/step, 4.03136 hours remaining, 198.000000 MB of memory in use. ENERGY: 13000 735.2820 2043.4355 1958.2769 123.8467 -206492.0161 18055.3761 0.0000 0.0000 34240.8435 -149334.9554 299.0338 -183575.7989 -149231.5534 298.7746 86.6598 118.1636 557302.5906 2.3981 2.4155 PRESSURE: 13200 31.899 18.4786 -43.8001 18.4782 -143.47 59.173 -43.8 59.1748 -76.5048 GPRESSURE: 13200 24.6065 -10.6143 -136.915 54.9705 -68.5709 34.194 -10.9126 95.5643 -39.51 PRESSAVG: 13200 -8.91064 6.33084 51.3306 6.33086 17.8001 -11.2531 51.3306 -11.2531 5.25738 GPRESSAVG: 13200 -8.86235 6.05846 49.6833 5.95441 17.4363 -13.3608 52.0337 -9.86095 5.19882 TIMING: 13200 CPU: 38.4858, 0.00290415/step Wall: 38.4858, 0.00290415/step, 4.0229 hours remaining, 198.000000 MB of memory in use. ENERGY: 13200 730.3573 2157.6195 1916.0534 99.3716 -206236.6387 17659.0481 0.0000 0.0000 34130.6274 -149543.5614 298.0713 -183674.1889 -149451.2125 298.9165 -62.6920 -27.8248 556275.1286 4.7156 4.5909 PRESSURE: 13400 25.4504 -47.8744 -17.9763 -47.8741 76.8247 54.3547 -17.9752 54.3553 38.4397 GPRESSURE: 13400 59.8267 -50.3464 -46.9598 -73.127 68.7219 41.6243 50.134 81.5751 98.3909 PRESSAVG: 13400 9.6367 -34.6482 18.2876 -34.6481 4.63363 0.787198 18.2876 0.787158 -19.8125 GPRESSAVG: 13400 10.595 -34.101 20.2959 -36.0087 4.5609 -0.0240755 17.5323 1.53774 -20.6029 TIMING: 13400 CPU: 39.0593, 0.00286765/step Wall: 39.0593, 0.00286765/step, 3.97218 hours remaining, 198.000000 MB of memory in use. ENERGY: 13400 716.3744 2106.1625 1946.8285 125.1424 -206164.6309 17717.0824 0.0000 0.0000 34150.3893 -149402.6514 298.2438 -183553.0407 -149307.8160 298.4407 46.9050 75.6465 555057.9723 -1.8474 -1.8157 PRESSURE: 13600 -273.524 80.2179 4.23515 80.2178 -185.773 182.198 4.23593 182.198 -0.82046 GPRESSURE: 13600 -202.94 133.583 -38.4344 76.372 -150.328 56.3142 -12.8922 241.122 -17.1311 PRESSAVG: 13600 9.4441 11.8102 57.9008 11.8103 -31.0112 23.1295 57.9008 23.1295 13.5669 GPRESSAVG: 13600 7.90641 13.303 59.9632 12.9633 -30.1764 24.4322 56.5416 23.4473 13.8424 TIMING: 13600 CPU: 39.6365, 0.0028859/step Wall: 39.6365, 0.0028859/step, 3.99729 hours remaining, 198.000000 MB of memory in use. ENERGY: 13600 745.1945 2096.3598 1995.6051 105.0974 -205962.3484 17549.6558 0.0000 0.0000 34126.3792 -149344.0567 298.0342 -183470.4359 -149245.8732 298.3311 -153.3727 -123.4664 556123.0920 -2.6667 -2.8092 PRESSURE: 13800 -4.65936 -94.2859 -18.4131 -94.2863 -341.036 69.9003 -18.4132 69.8992 -220.469 GPRESSURE: 13800 67.8412 -151.496 -60.385 -93.1867 -293.644 74.5577 -17.4837 69.1232 -247.774 PRESSAVG: 13800 15.8652 2.95625 57.5693 2.95619 -60.7024 32.7239 57.5693 32.7239 24.9434 GPRESSAVG: 13800 16.6646 -0.0587577 55.9803 3.20323 -61.2125 33.4257 57.7406 31.7191 24.8077 TIMING: 13800 CPU: 40.2138, 0.0028869/step Wall: 40.2138, 0.0028869/step, 3.99851 hours remaining, 198.000000 MB of memory in use. ENERGY: 13800 775.1726 2080.4504 1945.1478 106.9444 -206223.9349 17534.6759 0.0000 0.0000 34378.2913 -149403.2526 300.2342 -183781.5439 -149302.5885 298.4082 -188.7215 -157.8590 556873.3685 -6.6313 -6.5801 PRESSURE: 14000 -125.885 59.1725 -120.802 59.1723 -215.425 21.887 -120.802 21.8869 -46.2806 GPRESSURE: 14000 -97.7876 64.3224 -102.238 107.896 -146.072 59.4485 -174.586 5.08909 -39.885 PRESSAVG: 14000 -16.8904 -33.9076 -4.9282 -33.9075 -63.0531 38.2589 -4.92826 38.2587 45.3894 GPRESSAVG: 14000 -17.4056 -35.036 -5.57109 -32.7121 -63.0183 38.5472 -3.65899 39.3809 45.4949 TIMING: 14000 CPU: 40.7909, 0.00288547/step Wall: 40.7909, 0.00288547/step, 3.99638 hours remaining, 198.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 14000 718.9941 2089.4519 1954.4610 102.5240 -205854.7434 17468.9952 0.0000 0.0000 34176.9267 -149343.3906 298.4756 -183520.3173 -149250.9034 297.8788 -129.1967 -94.5815 557497.2072 -11.5180 -11.6430 PRESSURE: 14200 -137.035 -14.3112 195.486 -14.3119 57.0297 76.1088 195.486 76.1066 -152.473 GPRESSURE: 14200 -109.318 -13.9586 156.693 -107.75 48.1206 142.867 172.363 27.0183 -72.5703 PRESSAVG: 14200 27.3571 -12.4336 -25.7445 -12.4335 61.3934 83.0382 -25.7444 83.0382 -13.3453 GPRESSAVG: 14200 26.4466 -10.8342 -24.0658 -14.2691 61.36 83.2919 -26.1968 81.3637 -12.6978 TIMING: 14200 CPU: 41.369, 0.00289012/step Wall: 41.369, 0.00289012/step, 4.00265 hours remaining, 198.000000 MB of memory in use. ENERGY: 14200 750.4896 2106.9384 1959.5299 110.5049 -206077.5761 17670.4167 0.0000 0.0000 34311.5861 -149168.1105 299.6516 -183479.6966 -149067.3133 298.6122 -77.4926 -44.5894 556855.2700 25.1351 25.0363 PRESSURE: 14400 66.0812 -123.12 83.4396 -123.12 42.1109 -51.2901 83.44 -51.2912 135.832 GPRESSURE: 14400 120.113 -128.836 89.5607 -98.885 66.7532 -13.8104 101.974 -119.719 133.749 PRESSAVG: 14400 -10.9117 28.7069 20.2381 28.7069 -2.88326 -2.2196 20.2381 -2.21963 -27.6547 GPRESSAVG: 14400 -10.1914 28.7612 19.4124 29.422 -2.49359 -4.43907 18.7321 -0.445508 -28.7881 TIMING: 14400 CPU: 41.9493, 0.00290169/step Wall: 41.9493, 0.00290169/step, 4.01852 hours remaining, 198.000000 MB of memory in use. ENERGY: 14400 747.9052 2055.4062 1944.5684 117.6084 -206174.1998 17981.5943 0.0000 0.0000 34274.6214 -149052.4959 299.3288 -183327.1173 -148948.1505 298.9152 81.3414 106.8718 557960.1372 -13.8165 -13.8244 PRESSURE: 14600 -3.87902 43.7632 43.6178 43.7648 48.0437 66.6508 43.6178 66.6515 98.7905 GPRESSURE: 14600 133.107 63.2692 29.6061 89.002 70.1129 116.911 65.0131 132.955 39.4693 PRESSAVG: 14600 17.4661 45.8588 -39.9845 45.8589 21.4588 10.3116 -39.9846 10.3116 -46.1537 GPRESSAVG: 14600 17.006 47.3544 -39.0606 45.5444 21.1646 11.5999 -39.5197 9.07779 -45.2506 TIMING: 14600 CPU: 42.5279, 0.00289303/step Wall: 42.5279, 0.00289303/step, 4.00637 hours remaining, 198.000000 MB of memory in use. ENERGY: 14600 775.3632 2087.8054 1948.8840 102.6505 -206177.6865 17837.1249 0.0000 0.0000 34325.1044 -149100.7543 299.7697 -183425.8587 -149004.7318 299.4443 47.6517 80.8965 557223.5127 -2.4096 -2.3600 PRESSURE: 14800 170.534 148.874 -97.1552 148.874 46.1143 115.005 -97.1556 115.005 -88.0934 GPRESSURE: 14800 156.546 133.525 -21.8488 116.224 40.5653 116.532 -156.675 136.913 47.6182 PRESSAVG: 14800 18.18 -9.00294 -34.1736 -9.00287 39.6577 42.2728 -34.1737 42.2728 -30.5483 GPRESSAVG: 14800 18.9013 -10.9475 -36.005 -6.82944 39.5224 43.2556 -32.8876 42.1547 -30.9281 TIMING: 14800 CPU: 43.1037, 0.00287895/step Wall: 43.1037, 0.00287895/step, 3.98671 hours remaining, 198.000000 MB of memory in use. ENERGY: 14800 809.8521 2086.3591 1958.0032 115.1834 -206087.1778 17768.3198 0.0000 0.0000 34360.5872 -148988.8730 300.0796 -183349.4602 -148896.1551 300.1910 42.8515 81.5765 557794.0827 9.0965 9.1652 PRESSURE: 15000 -16.8995 -37.3984 68.5961 -37.3992 4.22714 -123.028 68.5956 -123.029 -4.57928 GPRESSURE: 15000 -16.7859 54.1255 183.475 -82.587 49.438 -99.6035 65.1404 -137.399 45.2979 PRESSAVG: 15000 4.23865 -53.7176 -84.1957 -53.7176 -51.5601 8.67811 -84.1957 8.67804 4.54189 GPRESSAVG: 15000 4.56277 -51.108 -82.6739 -55.9123 -52.0699 8.33162 -85.0642 7.24732 4.86953 TIMING: 15000 CPU: 43.6847, 0.00290506/step Wall: 43.6847, 0.00290506/step, 4.02271 hours remaining, 198.000000 MB of memory in use. ENERGY: 15000 760.5360 2050.1629 1971.2791 112.6036 -206090.4830 17792.1451 0.0000 0.0000 34604.2506 -148799.5056 302.2075 -183403.7562 -148698.7012 300.1487 -5.7505 25.9833 558436.8098 -14.2599 -14.2125 PRESSURE: 15200 20.2736 22.6244 92.0474 22.6252 160.893 52.1859 92.0491 52.186 -272.694 GPRESSURE: 15200 65.6879 61.1912 40.4982 80.586 184.889 -13.1308 96.5099 91.5798 -254.894 PRESSAVG: 15200 -11.3467 -30.3462 -15.3449 -30.3463 -57.8105 -4.7527 -15.3449 -4.75277 39.5015 GPRESSAVG: 15200 -12.6827 -31.0617 -14.6691 -30.0791 -56.3901 -3.91492 -14.077 -4.20981 39.2336 TIMING: 15200 CPU: 44.2632, 0.00289228/step Wall: 44.2632, 0.00289228/step, 4.00485 hours remaining, 198.000000 MB of memory in use. ENERGY: 15200 775.0581 2065.9646 1948.5598 111.3222 -205690.6909 17677.7262 0.0000 0.0000 34410.4150 -148701.6449 300.5147 -183112.0599 -148593.2055 300.7318 -30.5090 -1.4390 558519.4078 -9.8853 -9.9464 PRESSURE: 15400 -41.9458 -118.982 91.7232 -118.982 -171.362 35.2514 91.7235 35.2498 -688.617 GPRESSURE: 15400 23.4385 -133.185 57.9891 -156.464 -159.069 -40.666 98.8745 37.3005 -673.246 PRESSAVG: 15400 38.0969 -22.0964 -8.69527 -22.0965 -26.6738 54.6597 -8.69529 54.6596 -0.590809 GPRESSAVG: 15400 38.3616 -21.6858 -10.3726 -23.4432 -27.3559 52.3497 -8.62449 55.5899 -0.454503 TIMING: 15400 CPU: 44.8398, 0.00288314/step Wall: 44.8398, 0.00288314/step, 3.99203 hours remaining, 198.000000 MB of memory in use. ENERGY: 15400 739.7800 2065.5963 1945.8477 110.5614 -205644.4638 17388.5716 0.0000 0.0000 34466.4338 -148927.6730 301.0039 -183394.1068 -148827.2035 300.7665 -300.6417 -269.6256 559848.0041 3.6108 3.5171 PRESSURE: 15600 41.2665 -253.044 35.9602 -253.044 291.586 -23.0202 35.9613 -23.0221 57.915 GPRESSURE: 15600 90.9268 -250.266 95.0326 -288.489 329.118 -9.6439 51.2482 -60.0769 69.9209 PRESSAVG: 15600 12.5314 -45.3163 7.92087 -45.3163 53.7463 40.7835 7.92079 40.7835 -98.4098 GPRESSAVG: 15600 13.1739 -46.1089 9.56514 -45.3068 53.0876 40.7156 6.83595 40.7834 -98.2856 TIMING: 15600 CPU: 45.4132, 0.00286701/step Wall: 45.4132, 0.00286701/step, 3.96954 hours remaining, 198.000000 MB of memory in use. ENERGY: 15600 749.2893 2105.7054 1968.3172 124.9570 -206251.1358 18118.3550 0.0000 0.0000 34223.7278 -148960.7841 298.8843 -183184.5119 -148867.9616 299.7560 130.2560 163.3218 558259.0010 -10.7107 -10.6747 PRESSURE: 15800 -169.617 106.488 0.696696 106.488 101.4 -109.501 0.697402 -109.502 -21.501 GPRESSURE: 15800 -141.87 8.97857 -103.759 69.0218 108.976 -46.7175 19.7965 -121.643 34.8027 PRESSAVG: 15800 -19.036 -42.3138 -6.32138 -42.3137 14.7659 32.7046 -6.32136 32.7046 12.2235 GPRESSAVG: 15800 -18.8117 -43.1643 -8.73904 -41.0406 15.018 31.1861 -3.93461 33.5488 11.7387 TIMING: 15800 CPU: 45.9873, 0.00287057/step Wall: 45.9873, 0.00287057/step, 3.9743 hours remaining, 198.000000 MB of memory in use. ENERGY: 15800 746.9877 2088.5986 1949.9180 102.2086 -205856.4454 17752.7611 0.0000 0.0000 34162.8525 -149053.1188 298.3527 -183215.9713 -148955.7057 299.9134 -29.9059 0.6362 558537.4533 2.6511 2.6483 PRESSURE: 16000 400.97 143.274 -172.431 143.273 159.159 93.9744 -172.431 93.9747 219.895 GPRESSURE: 16000 456.686 207.475 -142.971 123.107 201.067 114.676 -175.114 44.2018 218.906 PRESSAVG: 16000 7.2128 25.9873 -73.1723 25.9874 22.1212 -9.951 -73.1724 -9.95103 -41.3448 GPRESSAVG: 16000 6.8256 25.0979 -71.9196 26.9802 22.7949 -9.94518 -74.5557 -8.88612 -41.6897 TIMING: 16000 CPU: 46.5639, 0.00288313/step Wall: 46.5639, 0.00288313/step, 3.99153 hours remaining, 198.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 16000 741.8239 2090.2129 1952.1262 123.8701 -206310.9828 18157.5282 0.0000 0.0000 34200.5347 -149044.8869 298.6818 -183245.4216 -148949.4603 299.3593 260.0082 292.2198 556642.2520 -4.0036 -4.0231 PRESSURE: 16200 -56.5867 75.6405 -29.3543 75.6414 -30.2266 -156.294 -29.3548 -156.293 51.9977 GPRESSURE: 16200 -34.4916 64.2709 -39.4477 122.344 8.65839 -221.088 53.0328 -79.1249 88.8739 PRESSAVG: 16200 24.0387 43.506 -77.6932 43.5058 55.9696 -16.3977 -77.6932 -16.3977 -76.7274 GPRESSAVG: 16200 24.2074 43.7236 -77.0417 42.7669 55.55 -14.9197 -77.0177 -18.8215 -76.6148 TIMING: 16200 CPU: 47.1415, 0.0028879/step Wall: 47.1415, 0.0028879/step, 3.99798 hours remaining, 198.000000 MB of memory in use. ENERGY: 16200 758.0903 2115.1578 1933.5308 130.1450 -206220.4319 17823.1427 0.0000 0.0000 34321.1993 -149139.1660 299.7356 -183460.3653 -149044.6296 299.8232 -11.6052 21.0136 556395.4959 1.0936 1.0475 LDB: ============= START OF LOAD BALANCING ============== 50.5258 LDB: ============== END OF LOAD BALANCING =============== 50.526 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 50.5277 LDB: ============= START OF LOAD BALANCING ============== 50.8156 LDB: Largest compute 4820 load 0.026692 is 22.7% of average load 0.117638 LDB: Average compute 0.001712 is 1.5% of average load 0.117638 LDB: TIME 50.818 LOAD: AVG 0.117638 MAX 0.178723 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.57 MB LDB: TIME 50.8183 LOAD: AVG 0.117638 MAX 0.178723 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.668 MB LDB: TIME 50.8184 LOAD: AVG 0.117638 MAX 0.178723 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 50.8204 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 50.8244 PRESSURE: 16400 2.0423 -103.989 -233.773 -103.989 257.871 -133.603 -233.772 -133.602 63.0329 GPRESSURE: 16400 -35.6053 -56.5096 -280.718 -110.89 332.674 -156.493 -286.136 -198.92 130.477 PRESSAVG: 16400 -45.0295 24.0962 -95.676 24.0961 96.8501 -36.6348 -95.676 -36.6349 -52.4838 GPRESSAVG: 16400 -46.174 25.6258 -96.1502 22.9654 96.6293 -34.7023 -95.9223 -38.8932 -51.2949 TIMING: 16400 CPU: 47.7289, 0.0029367/step Wall: 47.7289, 0.0029367/step, 4.06537 hours remaining, 197.511719 MB of memory in use. ENERGY: 16400 736.4343 2089.8893 1980.6261 133.2305 -206628.2163 18057.0614 0.0000 0.0000 34445.9738 -149185.0008 300.8253 -183630.9747 -149087.1098 299.9094 107.6486 142.5152 555694.1906 -0.2211 -0.2799 PRESSURE: 16600 -175.897 -30.5169 -67.921 -30.5174 -174.955 -118.871 -67.9225 -118.871 -78.383 GPRESSURE: 16600 -138.488 -72.4506 -75.1625 -60.4908 -98.335 -48.0702 15.7676 -99.4731 -115.563 PRESSAVG: 16600 -11.9274 -8.03067 -48.2301 -8.0307 103.909 -21.9009 -48.2299 -21.9009 -62.5635 GPRESSAVG: 16600 -11.8593 -6.91767 -46.7247 -9.24345 103.467 -25.4678 -50.3586 -19.846 -62.2687 TIMING: 16600 CPU: 48.3088, 0.00289969/step Wall: 48.3088, 0.00289969/step, 4.01398 hours remaining, 197.714844 MB of memory in use. ENERGY: 16600 771.9422 2089.6441 1947.0311 108.2996 -206086.8807 17603.6077 0.0000 0.0000 34417.1352 -149149.2207 300.5734 -183566.3559 -149053.8828 299.3862 -143.0785 -117.4622 556666.1034 9.8061 9.7795 PRESSURE: 16800 -148.909 31.912 -56.1227 31.9111 377.869 -27.8908 -56.1227 -27.8928 115.143 GPRESSURE: 16800 -90.3993 70.0327 -111.977 -2.43579 368.268 25.6282 -63.5765 -39.0625 167.745 PRESSAVG: 16800 -66.7658 3.82892 -9.08453 3.82879 53.6131 59.639 -9.08454 59.639 -17.0271 GPRESSAVG: 16800 -66.7003 4.44419 -8.61316 3.05584 53.9964 59.1744 -6.86262 61.147 -17.128 TIMING: 16800 CPU: 48.8867, 0.0028895/step Wall: 48.8867, 0.0028895/step, 3.99971 hours remaining, 197.714844 MB of memory in use. ENERGY: 16800 746.9861 2097.8441 1936.3104 107.2624 -206246.2343 17837.8561 0.0000 0.0000 34510.2021 -149009.7731 301.3862 -183519.9753 -148912.7639 299.9081 114.7013 148.5380 556916.4976 -10.0599 -9.9440 PRESSURE: 17000 182.621 48.2939 -124.244 48.2948 24.8925 64.243 -124.243 64.2429 78.9633 GPRESSURE: 17000 215.884 85.34 -41.1923 15.0515 70.4109 -11.3714 -236.947 85.9613 116.541 PRESSAVG: 17000 -52.0663 -2.70004 -26.983 -2.70008 86.2572 48.8849 -26.9831 48.8848 -39.4403 GPRESSAVG: 17000 -52.0525 -3.53418 -28.7094 -0.972727 87.1947 49.3923 -27.7989 47.5075 -40.3764 TIMING: 17000 CPU: 49.4643, 0.00288781/step Wall: 49.4643, 0.00288781/step, 3.99721 hours remaining, 197.714844 MB of memory in use. ENERGY: 17000 775.6434 2037.2250 1947.5344 119.2011 -206082.7252 17915.8140 0.0000 0.0000 34235.2619 -149052.0454 298.9851 -183287.3073 -148949.7238 299.7648 95.4921 134.2785 556174.7338 -1.7498 -1.7447 PRESSURE: 17200 201.089 129.571 37.5525 129.57 390.246 109.748 37.5526 109.747 245.945 GPRESSURE: 17200 253.271 24.614 3.35426 196.33 384.405 137.689 120.258 201.674 293.121 PRESSAVG: 17200 82.7543 12.0983 -12.2856 12.0984 -15.728 -6.40772 -12.2855 -6.40791 25.2888 GPRESSAVG: 17200 82.8296 10.6342 -11.3413 11.5026 -16.4685 -5.91749 -13.0028 -5.24051 25.8413 TIMING: 17200 CPU: 50.0456, 0.00290689/step Wall: 50.0456, 0.00290689/step, 4.02346 hours remaining, 197.714844 MB of memory in use. ENERGY: 17200 773.4621 2173.0471 1942.9511 88.8932 -206683.5494 18200.5059 0.0000 0.0000 34657.5076 -148847.1824 302.6726 -183504.6900 -148756.1966 300.9932 279.0933 310.2657 555718.4321 30.7717 30.7341 PRESSURE: 17400 71.7133 59.776 -124.216 59.7767 46.0612 81.2467 -124.218 81.2468 218.088 GPRESSURE: 17400 151.83 36.2629 -75.9821 121.201 59.3487 33.0483 -125.184 65.9644 226.335 PRESSAVG: 17400 -0.663247 80.0513 22.4062 80.0512 32.515 16.5653 22.4063 16.5652 -10.8594 GPRESSAVG: 17400 -0.66326 80.4092 21.839 80.4049 32.8545 16.5574 25.2135 16.781 -11.0701 TIMING: 17400 CPU: 50.6243, 0.00289321/step Wall: 50.6243, 0.00289321/step, 4.00436 hours remaining, 197.976562 MB of memory in use. ENERGY: 17400 767.2608 2149.7675 1926.1244 116.3972 -206042.2940 17932.7177 0.0000 0.0000 34420.4639 -148729.5625 300.6025 -183150.0264 -148642.3274 300.7310 111.9541 145.8381 556937.7427 6.9975 7.0404 PRESSURE: 17600 -61.9642 40.4848 -170.974 40.4852 -49.6511 61.4014 -170.976 61.4017 -166.085 GPRESSURE: 17600 -46.7942 46.4693 -45.7679 143.996 -63.9066 -29.1491 -161.905 42.6744 -71.3562 PRESSAVG: 17600 6.26439 59.636 -46.775 59.636 4.18937 -14.2749 -46.775 -14.2749 -62.5934 GPRESSAVG: 17600 7.54033 58.7992 -45.9785 61.2821 2.57603 -14.6904 -47.6138 -16.1836 -62.5507 TIMING: 17600 CPU: 51.2022, 0.00288938/step Wall: 51.2022, 0.00288938/step, 3.9989 hours remaining, 197.976562 MB of memory in use. ENERGY: 17600 757.5914 2172.5123 1978.8286 115.7624 -205922.8796 17709.6302 0.0000 0.0000 34383.9756 -148804.5790 300.2838 -183188.5546 -148712.9242 301.3296 -92.5667 -60.6857 557337.4419 -17.3799 -17.4781 PRESSURE: 17800 -48.7252 69.5159 -48.6716 69.5147 85.4573 -14.6411 -48.6717 -14.6413 186.609 GPRESSURE: 17800 2.44715 117.788 -108.708 90.4989 150.464 -38.2108 -5.62307 20.921 176.788 PRESSAVG: 17800 35.6687 15.9525 -50.9733 15.9526 -52.7596 28.8032 -50.9733 28.8031 39.5832 GPRESSAVG: 17800 35.44 18.3066 -52.2909 14.7108 -51.8194 27.7308 -50.1746 29.379 38.9661 TIMING: 17800 CPU: 51.7854, 0.00291615/step Wall: 51.7854, 0.00291615/step, 4.03578 hours remaining, 197.976562 MB of memory in use. ENERGY: 17800 742.8221 2147.1819 1931.7508 103.8400 -205960.5037 17901.8866 0.0000 0.0000 34180.2699 -148952.7524 298.5048 -183133.0223 -148851.8720 300.3590 74.4471 109.8997 557441.3073 7.4974 7.5289 PRESSURE: 18000 -15.8103 81.9195 3.73858 81.9191 -121.468 -53.6551 3.73659 -53.6543 131.336 GPRESSURE: 18000 72.2789 106.508 17.9793 -33.7078 -85.569 -36.2041 -16.2682 -35.2793 96.6843 PRESSAVG: 18000 -20.3996 -7.42206 24.0973 -7.42197 -18.4637 11.3842 24.0973 11.3843 51.2529 GPRESSAVG: 18000 -21.5842 -7.9571 25.7341 -7.18338 -18.0021 11.9703 21.1839 11.8083 52.3738 TIMING: 18000 CPU: 52.3679, 0.00291275/step Wall: 52.3679, 0.00291275/step, 4.03092 hours remaining, 197.976562 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: 18000 719.3094 2112.2952 1941.6422 117.3594 -205843.3138 17675.8716 0.0000 0.0000 34331.5829 -148945.2532 299.8263 -183276.8361 -148849.3845 300.4220 -1.9808 27.7981 558465.9997 4.1299 4.2625 PRESSURE: 18200 -242.247 -95.3155 -19.7409 -95.315 46.1129 -77.085 -19.7412 -77.0861 -122.577 GPRESSURE: 18200 -287.692 -162.532 -87.6825 -69.3652 81.4357 -59.0901 -12.3367 -42.2072 -19.2549 PRESSAVG: 18200 -34.0872 38.1616 -46.4304 38.1616 -6.08309 -19.1308 -46.4305 -19.1308 44.4561 GPRESSAVG: 18200 -34.6361 37.2504 -48.5731 37.8498 -6.3089 -17.1772 -43.6667 -18.1884 44.7341 TIMING: 18200 CPU: 52.9493, 0.00290678/step Wall: 52.9493, 0.00290678/step, 4.02249 hours remaining, 197.976562 MB of memory in use. ENERGY: 18200 735.7967 2141.1662 1936.7863 119.4840 -206217.9942 17670.5373 0.0000 0.0000 34579.9943 -149034.2294 301.9957 -183614.2237 -148937.0738 300.0214 -106.2368 -75.1705 557630.2972 1.4286 1.2630 PRESSURE: 18400 -32.4824 47.3446 64.5872 47.3437 -6.48853 150.74 64.5887 150.74 -36.2037 GPRESSURE: 18400 41.5492 36.935 37.1456 15.0222 44.8598 194.098 78.1795 116.326 -71.5625 PRESSAVG: 18400 -29.5503 -46.0024 14.5968 -46.0025 -29.9232 17.9755 14.5969 17.9756 25.657 GPRESSAVG: 18400 -28.7408 -44.3793 16.4938 -46.2081 -29.5265 16.9625 15.0169 16.4087 24.2809 TIMING: 18400 CPU: 53.5288, 0.00289731/step Wall: 53.5288, 0.00289731/step, 4.00924 hours remaining, 197.976562 MB of memory in use. ENERGY: 18400 719.8518 2146.0211 1965.9749 120.8647 -206228.0109 17934.7093 0.0000 0.0000 34380.1783 -148960.4109 300.2506 -183340.5892 -148858.7008 299.5001 -25.0582 4.9488 560042.5247 -11.2722 -11.3288 PRESSURE: 18600 151.132 58.5267 172.648 58.5261 -100.504 -58.4183 172.648 -58.4197 102.43 GPRESSURE: 18600 192.415 74.0851 147.969 21.1009 -48.11 -76.9858 246.641 -93.762 102.752 PRESSAVG: 18600 -52.836 108.318 -7.82496 108.318 71.8363 27.1873 -7.82502 27.1873 -29.7334 GPRESSAVG: 18600 -51.8269 107.807 -8.50206 108.928 72.0886 26.0698 -9.59649 27.5027 -31.1558 TIMING: 18600 CPU: 54.1087, 0.00289953/step Wall: 54.1087, 0.00289953/step, 4.01215 hours remaining, 197.976562 MB of memory in use. ENERGY: 18600 733.7107 2166.6657 1930.9053 119.5186 -206313.3391 17876.4154 0.0000 0.0000 34367.8988 -149118.2247 300.1434 -183486.1235 -149021.3085 299.5303 51.0191 82.3525 558235.6762 -3.5777 -3.6314 PRESSURE: 18800 -185.875 -85.1361 11.9256 -85.1366 -1.9579 -132.239 11.9259 -132.238 -427.548 GPRESSURE: 18800 -142.985 -28.5735 -41.8622 -123.384 -19.7115 -141.984 68.9563 -121.17 -355.138 PRESSAVG: 18800 5.85642 19.9802 7.9819 19.9803 53.0492 -5.29234 7.98193 -5.29232 -76.3859 GPRESSAVG: 18800 5.69595 19.542 6.29591 20.2604 51.6965 -4.18019 10.3452 -6.80723 -75.1182 TIMING: 18800 CPU: 54.6894, 0.00290376/step Wall: 54.6894, 0.00290376/step, 4.01783 hours remaining, 197.976562 MB of memory in use. ENERGY: 18800 782.3922 2144.3755 1969.2839 114.4891 -205975.9912 17529.4973 0.0000 0.0000 34415.5427 -149020.4104 300.5595 -183435.9532 -148926.4696 300.2831 -205.1269 -172.6116 558586.1393 -5.8268 -5.9086 PRESSURE: 19000 129.281 80.2593 130.275 80.2587 -301.364 -22.9105 130.275 -22.9107 -159.626 GPRESSURE: 19000 136.182 83.4214 101.01 95.6986 -277.827 -76.0889 121.212 81.5014 -95.1629 PRESSAVG: 19000 -18.2502 4.17633 -27.3265 4.17629 -23.5118 10.7933 -27.3265 10.7934 29.9053 GPRESSAVG: 19000 -18.1183 2.42317 -27.0379 3.60134 -24.3484 9.67474 -28.0158 12.0004 30.9283 TIMING: 19000 CPU: 55.2668, 0.0028868/step Wall: 55.2668, 0.0028868/step, 3.99421 hours remaining, 197.976562 MB of memory in use. ENERGY: 19000 731.3210 2111.0057 1961.0460 104.6965 -205906.8839 17628.4244 0.0000 0.0000 34333.0887 -149037.3016 299.8394 -183370.3904 -148940.5735 299.9521 -110.5699 -78.9359 558538.7086 -3.9523 -3.8461 PRESSURE: 19200 -200.197 2.90409 -41.1595 2.9064 -76.9027 83.1054 -41.1607 83.1063 -298.582 GPRESSURE: 19200 -186.653 -54.9342 -117.557 72.5874 -20.984 217.736 -23.3931 -52.7446 -259.519 PRESSAVG: 19200 2.43365 39.3956 -12.1131 39.3957 -38.484 -65.4681 -12.1132 -65.4682 10.6769 GPRESSAVG: 19200 0.527143 41.5101 -9.00507 39.0944 -37.1344 -63.8785 -11.5494 -64.8866 10.7239 TIMING: 19200 CPU: 55.8435, 0.0028836/step Wall: 55.8435, 0.0028836/step, 3.98963 hours remaining, 197.976562 MB of memory in use. ENERGY: 19200 719.4175 2118.6885 1939.6202 116.6993 -205923.1258 17632.0515 0.0000 0.0000 34403.3406 -148993.3083 300.4529 -183396.6489 -148902.1388 300.0369 -191.8939 -155.7187 559960.8534 -8.4578 -8.6278 PRESSURE: 19400 -41.8187 -222.164 -223.24 -222.164 -42.9968 -37.1935 -223.24 -37.1928 -43.4583 GPRESSURE: 19400 19.4944 -199.362 -234.975 -175.283 -12.3012 -102.383 -203.21 -23.5253 -37.6314 PRESSAVG: 19400 -38.2864 -16.9183 -111.304 -16.9182 4.31254 -0.0865816 -111.304 -0.0865647 -16.3713 GPRESSAVG: 19400 -38.0096 -16.6119 -114.145 -18.0542 3.82316 -0.803079 -110.932 -1.21346 -16.2915 TIMING: 19400 CPU: 56.4248, 0.00290636/step Wall: 56.4248, 0.00290636/step, 4.02095 hours remaining, 197.976562 MB of memory in use. ENERGY: 19400 705.4083 2056.2109 1952.7176 106.5533 -205816.9413 17658.7155 0.0000 0.0000 34401.7210 -148935.6147 300.4388 -183337.3357 -148835.7895 299.7643 -42.7580 -10.1461 559150.8152 -16.7817 -16.8260 PRESSURE: 19600 57.7881 54.0225 -97.7871 54.0219 125.668 82.3126 -97.7873 82.3118 -95.2691 GPRESSURE: 19600 183.813 33.4203 -80.3859 125.203 112.088 112.887 -128.596 64.2268 -108.545 PRESSAVG: 19600 -51.0271 -50.1715 -36.7681 -50.1715 31.948 39.7931 -36.7681 39.7931 0.729662 GPRESSAVG: 19600 -50.9817 -51.1592 -36.8731 -47.3002 31.516 40.632 -37.9041 40.4351 1.04841 TIMING: 19600 CPU: 56.9986, 0.00286895/step Wall: 56.9986, 0.00286895/step, 3.96904 hours remaining, 197.976562 MB of memory in use. ENERGY: 19600 752.4189 2096.7708 1930.5552 110.6914 -206282.2906 18026.1220 0.0000 0.0000 34368.5452 -148997.1871 300.1491 -183365.7323 -148907.1931 299.7055 29.3957 62.4523 559022.9252 -6.1165 -6.1391 PRESSURE: 19800 198.763 -1.7198 39.2741 -1.72004 -72.2324 -151.083 39.273 -151.085 -286.083 GPRESSURE: 19800 200.296 70.3631 100.21 -64.2805 -57.378 -245.134 13.1173 -147.932 -198.887 PRESSAVG: 19800 37.9104 72.3832 -37.1969 72.3833 45.236 0.425448 -37.1969 0.425497 -73.2618 GPRESSAVG: 19800 37.0013 72.5981 -34.7838 72.102 47.038 0.26091 -36.9379 -0.194441 -74.3067 TIMING: 19800 CPU: 57.5738, 0.00287642/step Wall: 57.5738, 0.00287642/step, 3.9792 hours remaining, 197.976562 MB of memory in use. ENERGY: 19800 756.7654 2057.0163 1950.7964 115.7276 -205905.3408 17815.6589 0.0000 0.0000 34215.0908 -148994.2853 298.8089 -183209.3762 -148898.8750 299.3370 -53.1842 -18.6562 557196.5534 3.2949 3.2442 PRESSURE: 20000 -9.47764 -135.61 86.5068 -135.611 -36.733 13.1815 86.5074 13.1821 64.3066 GPRESSURE: 20000 4.09762 -143.367 9.81839 -80.6245 26.6532 5.28787 117.538 35.9448 78.0458 PRESSAVG: 20000 14.2652 6.40582 -44.5634 6.40582 9.15106 -34.039 -44.5634 -34.0389 -35.1108 GPRESSAVG: 20000 14.6699 7.36333 -46.5155 5.45059 8.11496 -34.304 -43.499 -31.8699 -34.8618 TIMING: 20000 CPU: 58.153, 0.00289579/step Wall: 58.153, 0.00289579/step, 4.00584 hours remaining, 197.976562 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: 20000 719.4940 2071.2083 1953.1018 103.0602 -205922.3648 17588.5705 0.0000 0.0000 34422.9189 -149064.0111 300.6239 -183486.9301 -148965.0783 300.0805 6.0320 36.2656 555932.0316 -3.8982 -4.0256 PRESSURE: 20200 100.079 149.141 144.893 149.141 142.491 -53.3491 144.893 -53.3503 -349.666 GPRESSURE: 20200 86.6752 172.868 176.995 73.3826 211.885 -56.7624 150.488 -43.9651 -312.863 PRESSAVG: 20200 71.7267 68.4974 -1.40736 68.4974 -33.6737 -27.1343 -1.40723 -27.1345 -7.93571 GPRESSAVG: 20200 71.7267 67.9608 -2.02701 67.2868 -33.9128 -27.6822 -1.68446 -28.6791 -7.8654 TIMING: 20200 CPU: 58.7344, 0.00290722/step Wall: 58.7344, 0.00290722/step, 4.0215 hours remaining, 197.976562 MB of memory in use. ENERGY: 20200 725.2814 2081.4010 1947.1836 111.0976 -205824.0101 17643.3892 0.0000 0.0000 34256.9324 -149058.7249 299.1743 -183315.6573 -148969.3518 299.6652 -35.6990 -4.7677 556145.3019 10.0391 9.9828 LDB: ============= START OF LOAD BALANCING ============== 62.1174 LDB: ============== END OF LOAD BALANCING =============== 62.1176 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 62.1191 LDB: ============= START OF LOAD BALANCING ============== 62.4076 LDB: Largest compute 4820 load 0.025588 is 21.7% of average load 0.117733 LDB: Average compute 0.001700 is 1.4% of average load 0.117733 LDB: TIME 62.41 LOAD: AVG 0.117733 MAX 0.178645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.648 MB LDB: TIME 62.4103 LOAD: AVG 0.117733 MAX 0.178645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.852 MB LDB: TIME 62.4104 LOAD: AVG 0.117733 MAX 0.178645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 62.4122 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 62.4161 PRESSURE: 20400 -177.689 87.1852 169.762 87.1872 125.566 -55.2736 169.762 -55.2725 49.3624 GPRESSURE: 20400 -137.019 2.09969 98.6408 171.948 112.067 2.56066 141.385 26.1813 129.679 PRESSAVG: 20400 80.8341 9.63666 33.0405 9.63667 -44.1366 29.4286 33.0404 29.4287 1.51255 GPRESSAVG: 20400 80.6715 9.76175 34.7403 10.3441 -44.7182 31.653 31.4985 29.6496 1.97514 TIMING: 20400 CPU: 59.3204, 0.00292961/step Wall: 59.3204, 0.00292961/step, 4.0523 hours remaining, 197.714844 MB of memory in use. ENERGY: 20400 749.2330 2150.5807 1927.8763 100.8456 -205951.9339 17826.7431 0.0000 0.0000 34403.3146 -148793.3405 300.4527 -183196.6551 -148698.7506 300.4169 -0.9201 34.9089 556006.9445 12.7367 12.6428 PRESSURE: 20600 -185.589 -94.6111 96.5628 -94.6118 114.559 35.8981 96.5622 35.8993 -104.582 GPRESSURE: 20600 -151.843 -95.2995 96.926 -118.841 100.891 12.3827 139.385 37.8937 -28.6012 PRESSAVG: 20600 -52.6934 -4.78208 22.3961 -4.78207 51.3865 1.35124 22.3961 1.35129 40.5843 GPRESSAVG: 20600 -53.5503 -4.2397 22.0808 -4.36931 52.3008 -0.0578332 23.6289 2.40007 40.7198 TIMING: 20600 CPU: 59.8979, 0.00288764/step Wall: 59.8979, 0.00288764/step, 3.99408 hours remaining, 197.738281 MB of memory in use. ENERGY: 20600 762.0878 2067.3045 1964.6955 99.3552 -205686.6203 17583.7211 0.0000 0.0000 34295.4795 -148913.9766 299.5110 -183209.4561 -148812.3333 300.4469 -58.5370 -26.5181 558324.3775 13.0924 13.1568 PRESSURE: 20800 61.543 -46.5263 -133.339 -46.526 146.243 5.27905 -133.34 5.27747 -57.4307 GPRESSURE: 20800 131.868 -75.6116 -213.598 -38.9867 105.735 37.6824 -35.1779 -24.8546 1.44275 PRESSAVG: 20800 -14.6641 39.3376 28.8513 39.3376 52.3581 -11.6665 28.8513 -11.6666 -29.6147 GPRESSAVG: 20800 -14.1587 38.4399 28.8563 39.2224 52.3465 -11.0822 31.0869 -11.83 -30.0762 TIMING: 20800 CPU: 60.477, 0.00289542/step Wall: 60.477, 0.00289542/step, 4.00468 hours remaining, 197.738281 MB of memory in use. ENERGY: 20800 759.8467 2051.5061 1963.7966 99.7060 -205833.5647 17821.0455 0.0000 0.0000 34324.8898 -148812.7739 299.7678 -183137.6638 -148721.1983 300.4197 50.1183 79.6820 559289.9717 2.6931 2.7039 PRESSURE: 21000 -214.96 -104.687 -32.7112 -104.686 -294.024 51.6478 -32.7114 51.6467 -158.6 GPRESSURE: 21000 -179.834 -94.0799 49.1642 -92.8629 -259.322 10.2503 -29.2922 135.985 -137.326 PRESSAVG: 21000 -10.9778 -60.3351 47.1604 -60.3351 -13.9959 -37.9389 47.1605 -37.9391 14.497 GPRESSAVG: 21000 -11.4598 -60.4812 48.8618 -57.3994 -13.6854 -38.6661 44.287 -39.194 14.7879 TIMING: 21000 CPU: 61.0581, 0.00290569/step Wall: 61.0581, 0.00290569/step, 4.01873 hours remaining, 197.738281 MB of memory in use. ENERGY: 21000 721.0726 2075.8716 1957.3968 114.6377 -205855.5465 17589.3431 0.0000 0.0000 34599.0550 -148798.1697 302.1622 -183397.2247 -148694.8166 300.9434 -222.5279 -192.1609 558723.1404 -3.4922 -3.4525 PRESSURE: 21200 172.795 133.153 -21.0933 133.154 -231.322 -0.154841 -21.093 -0.1541 -54.0657 GPRESSURE: 21200 181.143 148.305 -167.688 84.6597 -152.555 -41.9254 4.65894 -5.87277 -33.091 PRESSAVG: 21200 40.0824 -46.4448 9.50331 -46.4448 3.04147 27.9319 9.50322 27.932 -17.9799 GPRESSAVG: 21200 40.3155 -46.665 7.0164 -49.4009 3.50214 28.3973 11.1401 28.0387 -19.3572 TIMING: 21200 CPU: 61.6344, 0.00288131/step Wall: 61.6344, 0.00288131/step, 3.98485 hours remaining, 197.921875 MB of memory in use. ENERGY: 21200 762.6350 2044.6981 1941.8020 114.5328 -205991.8000 17796.9492 0.0000 0.0000 34491.3173 -148839.8657 301.2213 -183331.1830 -148744.7452 300.8378 -37.5310 -1.5008 558288.6877 8.3813 8.1535 PRESSURE: 21400 -6.09458 -119.417 193.806 -119.416 106.94 -56.4416 193.805 -56.4418 0.85908 GPRESSURE: 21400 -14.1156 -51.9963 162.417 -133.925 160.854 -166.798 211.603 2.29756 55.089 PRESSAVG: 21400 40.4345 11.7697 -7.66141 11.7697 11.8637 -34.3268 -7.66144 -34.3268 -8.7099 GPRESSAVG: 21400 41.0508 13.6551 -7.00354 9.68587 9.59567 -35.7841 -7.38721 -32.6443 -7.49311 TIMING: 21400 CPU: 62.2105, 0.0028806/step Wall: 62.2105, 0.0028806/step, 3.98371 hours remaining, 197.921875 MB of memory in use. ENERGY: 21400 728.8907 2059.2930 1964.7563 138.0131 -206417.6414 18026.2108 0.0000 0.0000 34403.7357 -149096.7420 300.4564 -183500.4777 -149004.2055 300.4510 33.9014 67.2758 558218.9737 14.5294 14.3845 PRESSURE: 21600 -253.177 6.28525 -141.051 6.28517 -36.6248 51.7066 -141.05 51.7064 -146.596 GPRESSURE: 21600 -228.003 -19.4258 -28.0365 40.2621 -35.1837 174.449 -173.797 -34.8083 -72.1061 PRESSAVG: 21600 -59.5647 11.4941 -14.3297 11.494 5.80344 -3.84329 -14.3297 -3.84328 53.3945 GPRESSAVG: 21600 -60.0014 9.63259 -11.7083 13.797 6.97086 -2.50896 -16.0078 -5.21603 52.6997 TIMING: 21600 CPU: 62.7855, 0.00287496/step Wall: 62.7855, 0.00287496/step, 3.97576 hours remaining, 197.921875 MB of memory in use. ENERGY: 21600 752.2771 2044.9405 1952.9000 115.2281 -206048.0926 17777.2063 0.0000 0.0000 34282.5318 -149123.0088 299.3979 -183405.5406 -149032.3558 299.3569 -145.4658 -111.7643 558838.9110 -0.1222 -0.1103 PRESSURE: 21800 87.0199 7.57865 66.7896 7.57838 242.161 -123.432 66.7898 -123.433 52.3485 GPRESSURE: 21800 125.978 -1.44512 39.1126 -14.6839 244.9 0.647107 82.5325 -206.289 119.904 PRESSAVG: 21800 -57.1904 6.29644 -77.4574 6.29638 7.10967 27.1697 -77.4574 27.1697 39.4476 GPRESSAVG: 21800 -57.4825 6.39 -79.9191 5.52854 6.14819 27.145 -76.7252 28.6754 40.4129 TIMING: 21800 CPU: 63.3594, 0.00286936/step Wall: 63.3594, 0.00286936/step, 3.96784 hours remaining, 197.921875 MB of memory in use. ENERGY: 21800 715.7995 2085.2454 1948.2136 111.9554 -206435.4509 17961.4386 0.0000 0.0000 34565.7282 -149047.0701 301.8711 -183612.7984 -148947.6938 299.8234 127.1765 163.5938 558407.9939 -3.5444 -3.6405 PRESSURE: 22000 -76.1799 163.226 -79.2357 163.225 -243.187 82.2044 -79.2366 82.2028 -141.162 GPRESSURE: 22000 -7.59129 134.553 0.941953 165.622 -205.644 27.4816 -133.074 126.417 -154.362 PRESSAVG: 22000 -6.6934 48.3095 -70.3235 48.3095 -26.642 -3.0824 -70.3236 -3.08242 37.5236 GPRESSAVG: 22000 -6.92711 49.1197 -70.683 50.1702 -25.5198 -4.29808 -69.3307 -3.70119 36.5923 TIMING: 22000 CPU: 63.9363, 0.00288469/step Wall: 63.9363, 0.00288469/step, 3.98889 hours remaining, 197.921875 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: 22000 771.0397 2108.6820 1964.0348 118.7594 -205909.5552 17565.7306 0.0000 0.0000 34476.7250 -148904.5839 301.0938 -183381.3088 -148814.9508 299.6556 -153.5095 -122.5324 557959.6032 1.3961 1.3818 PRESSURE: 22200 -289.968 -17.8023 107.614 -17.8031 -257.655 -51.8599 107.615 -51.8612 -156.564 GPRESSURE: 22200 -271.592 59.4825 87.7785 -79.4048 -232.056 -22.2397 133.491 -24.2521 -109.471 PRESSAVG: 22200 9.29055 -3.1238 34.182 -3.12379 -32.0934 14.0424 34.182 14.0424 -15.9967 GPRESSAVG: 22200 9.9595 -3.15108 35.8093 -3.70796 -32.5556 12.3907 33.0183 15.8058 -16.1504 TIMING: 22200 CPU: 64.5089, 0.0028628/step Wall: 64.5089, 0.0028628/step, 3.95846 hours remaining, 197.921875 MB of memory in use. ENERGY: 22200 736.7825 2115.3162 1940.3913 113.8591 -205481.5732 17405.9158 0.0000 0.0000 34186.9230 -148982.3853 298.5629 -183169.3083 -148888.9024 299.9754 -234.7291 -204.3729 559542.2663 -12.9332 -12.9155 PRESSURE: 22400 -188.423 131.627 230.89 131.627 -86.0934 -52.8981 230.89 -52.8972 62.1011 GPRESSURE: 22400 -186.132 126.114 323.013 143.892 -44.3065 -85.5598 164.724 2.88862 108.797 PRESSAVG: 22400 1.501 27.7071 2.33914 27.7071 21.7687 -6.54052 2.3391 -6.54055 10.1616 GPRESSAVG: 22400 1.5957 27.7109 2.56053 28.5354 21.5659 -4.4312 2.56037 -8.45283 10.1527 TIMING: 22400 CPU: 65.0852, 0.00288195/step Wall: 65.0852, 0.00288195/step, 3.98478 hours remaining, 197.960938 MB of memory in use. ENERGY: 22400 731.7828 2095.3349 1944.3195 127.6354 -205959.6312 17858.1584 0.0000 0.0000 34226.2546 -148976.1455 298.9064 -183202.4001 -148874.0385 299.2538 -70.8052 -40.5472 560319.4271 11.1438 11.1047 PRESSURE: 22600 -105.11 -39.9635 -68.5967 -39.9641 -221.426 43.44 -68.5955 43.4399 144.491 GPRESSURE: 22600 -60.5098 -87.2133 -62.3629 17.8557 -167.092 -31.2598 -113.178 68.178 144.678 PRESSAVG: 22600 0.475915 -6.13162 59.6357 -6.1315 -23.2761 -7.99983 59.6357 -7.99991 57.0616 GPRESSAVG: 22600 -0.226458 -4.58246 57.7246 -6.73131 -22.8853 -9.56865 59.1537 -6.84476 56.9395 TIMING: 22600 CPU: 65.6644, 0.00289582/step Wall: 65.6644, 0.00289582/step, 4.00379 hours remaining, 197.960938 MB of memory in use. ENERGY: 22600 726.3671 2091.0978 1959.3651 110.9623 -205553.0458 17560.7887 0.0000 0.0000 34153.4634 -148951.0014 298.2707 -183104.4648 -148862.9153 299.8892 -60.6816 -27.6413 558566.8670 11.4205 11.2759 PRESSURE: 22800 3.93034 -39.3004 47.7207 -39.3018 -108.668 59.3504 47.7213 59.3516 -276.986 GPRESSURE: 22800 79.4798 -37.1278 108.586 24.6137 -84.173 89.1282 35.7929 113.529 -281.08 PRESSAVG: 22800 93.707 36.5265 -45.0981 36.5265 -10.108 -11.6064 -45.0981 -11.6065 -103.394 GPRESSAVG: 22800 95.0072 35.6756 -44.2152 35.3238 -11.5282 -7.59388 -44.7225 -13.4767 -103.22 TIMING: 22800 CPU: 66.2491, 0.00292365/step Wall: 66.2491, 0.00292365/step, 4.0421 hours remaining, 197.960938 MB of memory in use. ENERGY: 22800 812.7532 2113.9870 1948.6283 109.5474 -205752.0576 17757.1419 0.0000 0.0000 34350.7957 -148659.2043 299.9940 -183010.0000 -148570.5066 300.3281 -127.2411 -95.2579 560308.0677 -6.5982 -6.5802 PRESSURE: 23000 146.36 -164.612 -147.487 -164.612 80.8544 -78.9588 -147.486 -78.957 108.407 GPRESSURE: 23000 143.86 -133.136 -141.581 -133.365 120.622 -107.683 -129.514 -48.0626 174.135 PRESSAVG: 23000 66.3333 0.228243 -1.46385 0.228192 8.97188 -58.127 -1.46394 -58.1269 -36.8433 GPRESSAVG: 23000 65.4934 1.43246 -1.71377 0.582223 9.84959 -60.3764 -2.0152 -58.8562 -37.1342 TIMING: 23000 CPU: 66.8257, 0.00288257/step Wall: 66.8257, 0.00288257/step, 3.98515 hours remaining, 197.960938 MB of memory in use. ENERGY: 23000 724.2206 2087.6935 1968.5101 111.8522 -206294.4593 17966.1814 0.0000 0.0000 34535.2156 -148900.7860 301.6046 -183436.0016 -148801.7907 300.1277 111.8739 146.2057 556938.7957 12.8206 12.7362 PRESSURE: 23200 24.8464 121.671 127.239 121.67 -210.777 68.0185 127.24 68.0194 76.5246 GPRESSURE: 23200 33.1031 184.422 96.8294 66.1089 -138.092 83.1101 161.202 59.5837 114.47 PRESSAVG: 23200 38.9063 -3.62486 -2.54256 -3.62498 -32.2794 27.5702 -2.54258 27.5702 -27.2273 GPRESSAVG: 23200 38.8816 -5.70168 -2.00989 -4.97414 -32.4205 28.3789 -2.97847 29.1007 -26.6001 TIMING: 23200 CPU: 67.3955, 0.00284915/step Wall: 67.3955, 0.00284915/step, 3.9388 hours remaining, 197.960938 MB of memory in use. ENERGY: 23200 782.2969 2067.0583 1971.6029 109.1561 -206165.8252 17893.4007 0.0000 0.0000 34270.3424 -149071.9679 299.2914 -183342.3103 -148976.2256 299.5863 -36.4688 3.1601 558448.9506 -6.8668 -6.7130 PRESSURE: 23400 -112.241 81.8229 -63.1512 81.8234 143.073 -44.3029 -63.1514 -44.3026 -226.27 GPRESSURE: 23400 -78.1985 42.5783 -136.812 62.9575 83.8139 -30.9458 1.87951 4.35148 -99.2703 PRESSAVG: 23400 25.3668 19.2786 13.3545 19.2787 3.64668 -37.7832 13.3546 -37.7831 -36.7874 GPRESSAVG: 23400 25.964 18.6629 12.8912 20.9525 3.5327 -38.0056 14.9731 -40.3134 -37.0696 TIMING: 23400 CPU: 67.9705, 0.00287489/step Wall: 67.9705, 0.00287489/step, 3.97421 hours remaining, 197.960938 MB of memory in use. ENERGY: 23400 731.6430 2132.9951 1972.7646 108.6636 -206213.1622 17749.0961 0.0000 0.0000 34318.1431 -149199.8568 299.7089 -183517.9999 -149109.9820 299.4035 -65.1459 -31.2183 557852.2444 -2.5913 -2.5243 PRESSURE: 23600 -258.256 21.1821 88.4028 21.1821 -166.801 226.405 88.4027 226.405 -183.113 GPRESSURE: 23600 -224.71 48.1705 117.671 14.1531 -92.9263 158.239 101.936 236.001 -194.396 PRESSAVG: 23600 -0.0836813 -27.471 18.0278 -27.471 31.1858 -48.7841 18.0278 -48.7841 -53.4707 GPRESSAVG: 23600 0.0312411 -27.2137 18.5395 -26.1943 31.8777 -49.3308 17.0439 -47.0957 -53.9025 TIMING: 23600 CPU: 68.5421, 0.00285818/step Wall: 68.5421, 0.00285818/step, 3.95096 hours remaining, 197.960938 MB of memory in use. ENERGY: 23600 829.2021 2024.0073 1962.2398 128.9621 -206249.2303 17858.4534 0.0000 0.0000 34256.6052 -149189.7602 299.1715 -183446.3654 -149085.4531 299.4803 -202.7233 -170.6776 559309.9917 -7.4562 -7.3312 PRESSURE: 23800 1.00688 61.5973 -29.2498 61.5965 -253.85 -79.3259 -29.2499 -79.3264 -118.773 GPRESSURE: 23800 33.7504 47.0458 -115.758 49.9628 -243.082 -138.184 41.311 -12.034 -61.475 PRESSAVG: 23800 -9.09922 -62.5515 -38.4692 -62.5516 -41.8263 -26.1395 -38.4693 -26.1395 43.9305 GPRESSAVG: 23800 -10.1699 -63.1114 -38.0147 -63.6093 -41.3866 -24.9556 -38.4097 -26.6023 44.1827 TIMING: 23800 CPU: 69.1218, 0.00289828/step Wall: 69.1218, 0.00289828/step, 4.00623 hours remaining, 197.960938 MB of memory in use. ENERGY: 23800 751.0370 2082.8604 1966.3128 107.6874 -206039.6271 17612.7985 0.0000 0.0000 34372.0697 -149146.8613 300.1798 -183518.9310 -149056.3066 299.0848 -123.8722 -90.2689 558933.5344 -2.3316 -2.4579 PRESSURE: 24000 112.188 89.8292 64.5445 89.8291 53.1267 119.127 64.5427 119.127 183.701 GPRESSURE: 24000 138.293 -4.8895 14.8199 84.3041 127.713 155.093 54.8527 160.501 188.397 PRESSAVG: 24000 -28.0421 15.436 6.50845 15.4359 -7.64664 -17.7981 6.50856 -17.7981 63.1761 GPRESSAVG: 24000 -27.6805 16.2428 4.80551 15.4793 -7.76671 -19.1862 7.53799 -13.9884 62.8717 TIMING: 24000 CPU: 69.6994, 0.00288812/step Wall: 69.6994, 0.00288812/step, 3.99202 hours remaining, 197.960938 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: 24000 741.7292 2092.2749 1981.5144 102.4727 -206279.8606 17980.8353 0.0000 0.0000 34252.0921 -149128.9419 299.1320 -183381.0340 -149029.8111 299.7861 116.3386 151.4676 557671.5341 9.1624 9.1415 PRESSURE: 24200 106.205 -244.138 134.458 -244.139 11.8415 -93.6288 134.457 -93.6302 -129.101 GPRESSURE: 24200 166.524 -211.726 145.825 -105.291 -31.9348 -50.0438 104.164 -91.2144 -56.9197 PRESSAVG: 24200 96.568 7.4007 -25.7547 7.40075 -42.3552 1.40031 -25.7548 1.40024 -1.93095 GPRESSAVG: 24200 96.818 6.59083 -24.6266 6.3836 -42.8315 3.05347 -26.6165 -3.51296 -1.6894 TIMING: 24200 CPU: 70.2753, 0.00287938/step Wall: 70.2753, 0.00287938/step, 3.97978 hours remaining, 197.960938 MB of memory in use. ENERGY: 24200 705.3096 2080.1315 1959.8041 120.8589 -206209.1285 17785.7791 0.0000 0.0000 34472.8314 -149084.4138 301.0598 -183557.2453 -148991.6388 299.5997 -3.6849 25.8899 558045.0508 17.4273 17.4324 LDB: ============= START OF LOAD BALANCING ============== 73.6586 LDB: ============== END OF LOAD BALANCING =============== 73.6588 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 73.6603 LDB: ============= START OF LOAD BALANCING ============== 73.9481 LDB: Largest compute 4820 load 0.026228 is 22.3% of average load 0.117608 LDB: Average compute 0.001703 is 1.4% of average load 0.117608 LDB: TIME 73.9504 LOAD: AVG 0.117608 MAX 0.178338 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.555 MB LDB: TIME 73.9507 LOAD: AVG 0.117608 MAX 0.178338 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.555 MB LDB: TIME 73.9508 LOAD: AVG 0.117608 MAX 0.178338 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.555 MB LDB: ============== END OF LOAD BALANCING =============== 73.9525 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 73.9565 PRESSURE: 24400 -117.827 110.395 149.629 110.394 -179.406 -57.5574 149.629 -57.5583 -195.492 GPRESSURE: 24400 -100.442 71.5566 126.398 186.485 -90.8275 11.1329 104.762 -108.861 -199.4 PRESSAVG: 24400 31.9307 7.40172 36.6622 7.40165 3.81259 -57.5811 36.6622 -57.5811 8.54652 GPRESSAVG: 24400 31.9714 7.43068 36.5162 7.90203 5.00403 -57.7574 37.3243 -56.9409 7.63049 TIMING: 24400 CPU: 70.8608, 0.00292772/step Wall: 70.8608, 0.00292772/step, 4.04644 hours remaining, 197.925781 MB of memory in use. ENERGY: 24400 782.5339 2094.3777 1946.3586 121.5205 -205540.8638 17344.6015 0.0000 0.0000 34195.9066 -149055.5650 298.6414 -183251.4716 -148956.9253 299.4280 -164.2417 -130.2233 557974.7302 14.7633 14.8686 PRESSURE: 24600 -99.7267 -194.846 157.493 -194.845 -1.0051 -8.15084 157.492 -8.15111 -237.095 GPRESSURE: 24600 -65.4848 -182.868 90.6994 -165.906 23.2623 98.9127 205.332 -48.3459 -199.977 PRESSAVG: 24600 30.7496 13.4812 30.205 13.4812 16.2147 41.6069 30.205 41.6069 -47.7245 GPRESSAVG: 24600 30.5958 13.3061 30.269 13.581 16.0407 42.0336 29.5934 42.9925 -47.2856 TIMING: 24600 CPU: 71.4394, 0.00289281/step Wall: 71.4394, 0.00289281/step, 3.99803 hours remaining, 198.128906 MB of memory in use. ENERGY: 24600 733.3331 2064.6763 1965.2317 127.4687 -205337.8673 17514.7496 0.0000 0.0000 34043.5496 -148888.8584 297.3108 -182932.4080 -148795.5435 299.7731 -112.6090 -80.7333 558817.0602 -0.2534 -0.2164 PRESSURE: 24800 -206.846 -263.755 52.3417 -263.755 -131.811 1.93092 52.3408 1.93121 -293.379 GPRESSURE: 24800 -219.878 -156.522 16.4584 -223.706 -128.237 43.7879 128.582 9.41233 -191.665 PRESSAVG: 24800 37.6049 -12.8215 54.109 -12.8216 -46.3173 49.4922 54.109 49.4923 25.1588 GPRESSAVG: 24800 37.5456 -11.4914 54.2646 -13.0927 -47.7959 47.1585 53.195 49.0664 26.7274 TIMING: 24800 CPU: 72.0179, 0.00289276/step Wall: 72.0179, 0.00289276/step, 3.99779 hours remaining, 198.128906 MB of memory in use. ENERGY: 24800 721.1215 2093.0766 1944.3772 116.2001 -205602.8310 17485.9839 0.0000 0.0000 34304.0235 -148938.0483 299.5856 -183242.0718 -148841.9339 299.8129 -210.6785 -179.9269 557947.0306 5.4821 5.4924 PRESSURE: 25000 -256.051 44.6563 -38.311 44.6555 0.559659 -77.7145 -38.31 -77.7165 12.0643 GPRESSURE: 25000 -220.464 118.639 -26.2333 10.2697 51.4952 -25.5501 -49.5988 -182.202 34.1051 PRESSAVG: 25000 -1.0309 -6.34286 25.6075 -6.34288 -57.4553 23.0697 25.6074 23.0697 24.7197 GPRESSAVG: 25000 -0.421742 -7.0424 24.8596 -6.00207 -57.7215 24.2405 27.5463 22.5366 24.013 TIMING: 25000 CPU: 72.5889, 0.00285513/step Wall: 72.5889, 0.00285513/step, 3.94563 hours remaining, 198.128906 MB of memory in use. ENERGY: 25000 694.9596 2154.0184 1930.7439 118.2792 -205517.3724 17448.5364 0.0000 0.0000 34403.3600 -148767.4748 300.4531 -183170.8348 -148661.6008 300.1122 -81.1425 -44.9546 558484.9751 -11.2555 -11.3767 PRESSURE: 25200 -62.7568 -2.54002 67.899 -2.54152 -356.068 -99.8678 67.8999 -99.8677 -390.047 GPRESSURE: 25200 -64.9468 48.754 58.5892 32.2698 -370.021 -165.814 38.9093 9.73394 -262.515 PRESSAVG: 25200 -39.3505 -6.82211 39.3105 -6.82211 -24.73 0.74985 39.3105 0.749828 58.4458 GPRESSAVG: 25200 -40.3626 -7.32987 38.5172 -7.85261 -23.6752 0.668314 39.2929 1.43254 59.0269 TIMING: 25200 CPU: 73.1625, 0.00286779/step Wall: 73.1625, 0.00286779/step, 3.96297 hours remaining, 198.128906 MB of memory in use. ENERGY: 25200 785.7101 2013.1290 1936.2744 110.6022 -205558.6607 17446.9803 0.0000 0.0000 34407.4855 -148858.4792 300.4891 -183265.9647 -148762.4298 300.0264 -269.6241 -232.4943 557654.4322 -1.8782 -1.6703 PRESSURE: 25400 354.647 26.4673 -193.907 26.4661 -42.2353 -45.1836 -193.906 -45.1836 -254.172 GPRESSURE: 25400 355.648 97.9138 -173.233 55.565 -8.28869 -60.4188 -141.776 13.3564 -184.757 PRESSAVG: 25400 37.3645 30.6859 -75.311 30.6859 -21.2298 27.3153 -75.311 27.3153 1.24891 GPRESSAVG: 25400 38.5417 31.3639 -72.948 31.5445 -22.4138 28.6545 -76.0714 27.7039 0.944907 TIMING: 25400 CPU: 73.7368, 0.00287163/step Wall: 73.7368, 0.00287163/step, 3.96811 hours remaining, 198.128906 MB of memory in use. ENERGY: 25400 728.0256 2069.0832 1946.7700 105.2803 -206155.3309 17908.8950 0.0000 0.0000 34418.4405 -148978.8363 300.5848 -183397.2767 -148878.2351 300.4946 19.4133 54.2008 557239.6326 5.7945 5.6909 PRESSURE: 25600 -452.591 84.7247 -99.5997 84.7246 -256.505 -43.7317 -99.5994 -43.7338 -399.091 GPRESSURE: 25600 -369.555 36.8406 -136.79 21.1956 -286.29 -9.94418 -51.7129 -95.3642 -347.823 PRESSAVG: 25600 -32.2593 32.8878 -43.4692 32.8878 -5.43311 1.51524 -43.4693 1.51516 9.79931 GPRESSAVG: 25600 -30.4952 32.8605 -46.5375 33.3455 -6.03237 1.13064 -42.9537 -0.270441 8.94332 TIMING: 25600 CPU: 74.3105, 0.00286845/step Wall: 74.3105, 0.00286845/step, 3.96357 hours remaining, 198.128906 MB of memory in use. ENERGY: 25600 746.1656 2091.2167 1936.8847 108.3957 -205758.6043 17250.2751 0.0000 0.0000 34511.0565 -149114.6099 301.3936 -183625.6664 -149010.7966 300.0076 -369.3957 -334.5562 560013.8868 -9.2977 -9.1947 PRESSURE: 25800 119.268 -65.0731 33.7395 -65.0734 115.475 -71.5197 33.7402 -71.5197 97.1581 GPRESSURE: 25800 175.934 -52.9624 72.8629 -47.9102 140.613 -37.7446 -56.1243 -18.2379 107.993 PRESSAVG: 25800 2.21427 3.33149 -16.3905 3.33154 -9.01192 -10.4772 -16.3905 -10.4774 -11.0787 GPRESSAVG: 25800 -0.243715 4.3711 -15.4115 3.0329 -6.4849 -11.4321 -16.7258 -7.21239 -10.5827 TIMING: 25800 CPU: 74.8811, 0.00285303/step Wall: 74.8811, 0.00285303/step, 3.94209 hours remaining, 198.128906 MB of memory in use. ENERGY: 25800 737.4643 2075.8176 1951.4153 106.7472 -206610.9862 18112.8041 0.0000 0.0000 34255.8675 -149370.8700 299.1650 -183626.7376 -149280.0456 299.9142 110.6338 141.5134 557034.0213 -5.9588 -5.7704 PRESSURE: 26000 -67.3699 63.1136 69.0071 63.114 449.928 -9.05793 69.0078 -9.05617 232.154 GPRESSURE: 26000 -22.1848 51.2911 92.3177 46.9468 456.004 19.0407 24.2664 -150.153 286.339 PRESSAVG: 26000 -99.2947 67.5766 29.315 67.5765 83.3917 21.3314 29.315 21.3313 -22.2985 GPRESSAVG: 26000 -98.5091 65.1999 31.1854 68.9584 84.3518 20.7032 29.3604 19.2424 -24.0942 TIMING: 26000 CPU: 75.4503, 0.00284573/step Wall: 75.4503, 0.00284573/step, 3.93185 hours remaining, 198.128906 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: 26000 734.9306 2086.6245 1975.7725 125.2722 -206742.6106 18208.8967 0.0000 0.0000 34381.7258 -149229.3883 300.2642 -183611.1141 -149137.6109 299.2754 204.9040 240.0527 556035.1195 -12.7338 -12.7505 PRESSURE: 26200 -265.214 -1.10292 153.252 -1.10403 27.8929 -121.001 153.251 -121.001 277.961 GPRESSURE: 26200 -200.08 -21.6835 146.318 12.7997 55.2551 -121.3 181.559 -209.929 269.878 PRESSAVG: 26200 -47.3917 7.83897 15.0421 7.83904 59.9819 -16.3927 15.042 -16.3928 29.3637 GPRESSAVG: 26200 -48.5772 8.34903 13.2972 8.51136 59.7306 -15.4377 13.7512 -16.9231 30.437 TIMING: 26200 CPU: 76.0245, 0.00287121/step Wall: 76.0245, 0.00287121/step, 3.96689 hours remaining, 198.128906 MB of memory in use. ENERGY: 26200 754.0976 2101.0798 1966.5444 123.7081 -206065.7052 17640.3161 0.0000 0.0000 34324.1853 -149155.7739 299.7616 -183479.9592 -149051.8728 300.0278 13.5464 41.6844 555759.3957 13.9846 13.8635 PRESSURE: 26400 3.15524 142.79 4.02443 142.789 -184.085 -79.5294 4.02644 -79.5287 142.182 GPRESSURE: 26400 -11.0815 165.451 -60.5297 187.736 -78.8427 -52.0333 -38.2273 -33.1409 138.966 PRESSAVG: 26400 -3.66757 37.3797 10.47 37.3797 -0.619645 -0.966452 10.4699 -0.966479 -20.2558 GPRESSAVG: 26400 -3.13568 37.3689 10.2158 35.0202 -1.30194 -2.13518 11.9002 0.256302 -19.3585 TIMING: 26400 CPU: 76.597, 0.00286255/step Wall: 76.597, 0.00286255/step, 3.95477 hours remaining, 198.128906 MB of memory in use. ENERGY: 26400 780.3394 2142.2754 1980.9944 110.2750 -206361.6602 17752.3218 0.0000 0.0000 34296.3020 -149299.1523 299.5181 -183595.4542 -149197.0462 299.8769 -12.9158 16.3472 556951.1652 -8.1810 -7.9320 PRESSURE: 26600 -66.4697 -125.281 57.2583 -125.282 -161.047 18.8267 57.2585 18.8292 -184.943 GPRESSURE: 26600 -15.4891 -109.304 118.367 -173.498 -179.775 127.288 -27.751 -28.5767 -120.689 PRESSAVG: 26600 10.7322 21.527 -41.8075 21.5269 -0.229269 26.2831 -41.8075 26.283 -37.9922 GPRESSAVG: 26600 11.6758 23.3185 -41.3792 23.1219 -1.14556 26.0218 -41.9833 26.5745 -38.1375 TIMING: 26600 CPU: 77.1752, 0.00289111/step Wall: 77.1752, 0.00289111/step, 3.99406 hours remaining, 198.128906 MB of memory in use. ENERGY: 26600 767.2392 2138.2709 1952.5968 125.2770 -206247.6188 17744.8517 0.0000 0.0000 34115.2373 -149404.1458 297.9369 -183519.3831 -149310.3958 298.8018 -137.4867 -105.3177 556950.9286 -9.1631 -9.2024 PRESSURE: 26800 169.795 155.248 -69.9274 155.248 -46.3571 -142.391 -69.9262 -142.39 -18.7558 GPRESSURE: 26800 175.667 100.528 -132.153 121.553 27.8742 -128.918 -54.2866 -123.69 -3.65998 PRESSAVG: 26800 69.7825 17.2543 -9.01086 17.2542 -2.8554 -5.09638 -9.01086 -5.09638 -66.589 GPRESSAVG: 26800 69.1417 15.7368 -10.0393 17.9226 -1.99836 -2.92241 -9.37332 -5.80974 -67.0424 TIMING: 26800 CPU: 77.7507, 0.00287727/step Wall: 77.7507, 0.00287727/step, 3.97479 hours remaining, 198.128906 MB of memory in use. ENERGY: 26800 722.5349 2111.2492 1944.5504 110.2504 -206151.1817 17852.0376 0.0000 0.0000 34071.4178 -149339.1414 297.5542 -183410.5592 -149247.3695 298.7605 34.8941 66.6269 558416.4894 0.1127 0.0336 PRESSURE: 27000 -10.2358 6.93326 6.44246 6.93218 5.16044 26.9903 6.44282 26.9913 111.422 GPRESSURE: 27000 -0.539349 -1.44981 -26.0639 -46.8455 74.8655 81.5447 -43.4231 4.47763 113.05 PRESSAVG: 27000 22.0662 35.551 -47.0568 35.551 50.1507 -2.84972 -47.0567 -2.84969 -59.8833 GPRESSAVG: 27000 23.1204 33.4768 -46.7548 35.5773 48.9426 -3.9301 -47.6394 -2.57704 -59.7178 TIMING: 27000 CPU: 78.3252, 0.00287238/step Wall: 78.3252, 0.00287238/step, 3.96788 hours remaining, 198.128906 MB of memory in use. ENERGY: 27000 789.7068 2110.6215 1973.4452 121.3944 -206376.6243 17914.3757 0.0000 0.0000 34348.5941 -149118.4867 299.9748 -183467.0809 -149024.7379 299.4136 35.4490 62.4588 556363.2277 4.1112 4.1150 PRESSURE: 27200 73.6826 8.65977 39.0858 8.66135 -45.9129 -86.5814 39.0857 -86.5816 -153.915 GPRESSURE: 27200 116.069 -2.3677 88.6477 -3.59804 -53.2911 -90.2115 -86.7338 -96.5359 -95.6647 PRESSAVG: 27200 16.6168 34.9354 21.7466 34.9355 75.6778 24.3102 21.7466 24.3101 -62.0519 GPRESSAVG: 27200 16.0662 38.0598 21.4473 33.1598 76.5009 24.1415 24.1003 24.5769 -62.575 TIMING: 27200 CPU: 78.9001, 0.00287467/step Wall: 78.9001, 0.00287467/step, 3.97087 hours remaining, 198.128906 MB of memory in use. ENERGY: 27200 778.1042 2130.4049 1969.9618 106.4475 -206047.5816 17753.2567 0.0000 0.0000 34295.8915 -149013.5151 299.5146 -183309.4065 -148917.8967 300.1957 -42.0484 -10.9621 557027.0430 10.0809 9.9974 PRESSURE: 27400 102.101 35.3112 -107.682 35.3105 31.667 103.086 -107.682 103.085 -39.6778 GPRESSURE: 27400 160.019 77.6655 -77.9625 19.4367 -2.95272 142.368 -186.823 29.8709 30.1431 PRESSAVG: 27400 -86.3159 55.3768 28.8367 55.3768 48.8394 -16.6166 28.8369 -16.6168 -1.96041 GPRESSAVG: 27400 -86.1977 53.3423 28.5885 57.9214 48.1403 -16.4039 27.2511 -16.4232 -1.64635 TIMING: 27400 CPU: 79.4724, 0.00286167/step Wall: 79.4724, 0.00286167/step, 3.95277 hours remaining, 198.128906 MB of memory in use. ENERGY: 27400 782.6937 2168.8515 1928.9089 105.5380 -206498.8583 18031.1685 0.0000 0.0000 34439.1421 -149042.5556 300.7656 -183481.6977 -148949.9724 300.2611 31.3634 62.4030 556805.6013 -13.1456 -13.2346 PRESSURE: 27600 4.42907 47.2751 -13.3447 47.2735 99.6081 141.675 -13.3458 141.674 108.026 GPRESSURE: 27600 17.7005 25.6606 71.9659 80.9377 118.734 256.613 32.0722 157.65 169.996 PRESSAVG: 27600 2.98683 -20.0375 -40.7215 -20.0376 34.2409 33.0489 -40.7216 33.049 -12.2531 GPRESSAVG: 27600 3.58609 -20.3234 -40.5986 -20.1915 33.7991 36.4339 -39.7797 29.6615 -12.4607 TIMING: 27600 CPU: 80.049, 0.00288287/step Wall: 80.049, 0.00288287/step, 3.98188 hours remaining, 198.128906 MB of memory in use. ENERGY: 27600 749.2331 2111.3060 1926.1034 106.9864 -206061.1651 17787.0970 0.0000 0.0000 34260.4410 -149119.9982 299.2050 -183380.4393 -149019.7355 299.7041 70.6876 102.1436 556522.7571 8.3249 8.3082 PRESSURE: 27800 -143.888 -38.5002 53.9221 -38.4999 -234.118 -20.8157 53.9232 -20.8151 -20.2556 GPRESSURE: 27800 -127.306 -13.286 177.317 -27.9292 -193.209 19.5717 32.2907 -60.6119 35.9357 PRESSAVG: 27800 -21.0242 -9.68715 -32.5803 -9.68718 43.7146 46.4218 -32.5803 46.4217 -8.38891 GPRESSAVG: 27800 -22.7529 -8.65865 -32.5765 -10.8294 45.0734 41.5363 -34.5612 49.4627 -8.59755 TIMING: 27800 CPU: 80.6233, 0.00287157/step Wall: 80.6233, 0.00287157/step, 3.96612 hours remaining, 198.128906 MB of memory in use. ENERGY: 27800 749.3565 2157.4040 1946.5391 109.7616 -206031.8527 17635.4777 0.0000 0.0000 34370.0967 -149063.2171 300.1626 -183433.3138 -148970.2969 300.1695 -132.7539 -94.8597 558582.4859 4.7672 4.5743 PRESSURE: 28000 -138.302 20.5246 -147.372 20.5259 83.7955 -140.372 -147.372 -140.371 -18.0003 GPRESSURE: 28000 -95.1288 -11.7842 -164.689 103.997 111.981 -32.26 -92.9984 -202.461 0.64685 PRESSAVG: 28000 -0.159153 -14.0573 73.768 -14.0572 45.2754 -12.3911 73.7679 -12.391 -36.5138 GPRESSAVG: 28000 0.644016 -15.7751 73.7488 -14.4098 44.0524 -9.97553 74.1725 -14.5883 -36.4073 TIMING: 28000 CPU: 81.1981, 0.00287382/step Wall: 81.1981, 0.00287382/step, 3.96907 hours remaining, 198.128906 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: 28000 753.6210 2126.0939 1955.4273 116.1867 -206379.0482 17809.1635 0.0000 0.0000 34548.2380 -149070.3178 301.7184 -183618.5559 -148976.1878 299.5807 -24.1689 5.8332 556757.2828 2.8675 2.7631 PRESSURE: 28200 -110.003 120.526 170.094 120.526 216.359 -94.4936 170.094 -94.4945 -117.818 GPRESSURE: 28200 -62.1877 184.911 165.019 41.1968 246.728 -0.080229 137.938 -120.154 -111.331 PRESSAVG: 28200 -31.65 9.24418 33.7995 9.24417 -9.55041 -21.1245 33.7994 -21.1245 41.3141 GPRESSAVG: 28200 -31.4403 11.2121 34.3579 9.82252 -9.16977 -22.0861 34.2437 -19.8042 41.314 TIMING: 28200 CPU: 81.7713, 0.00286605/step Wall: 81.7713, 0.00286605/step, 3.95817 hours remaining, 198.128906 MB of memory in use. ENERGY: 28200 781.4846 2106.9188 1931.4885 114.4041 -206460.4687 17784.1132 0.0000 0.0000 34494.7863 -149247.2733 301.2515 -183742.0595 -149149.3576 300.0391 -3.8208 24.4030 556319.2865 0.0379 0.2347 LDB: ============= START OF LOAD BALANCING ============== 85.1555 LDB: ============== END OF LOAD BALANCING =============== 85.1557 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 85.1574 LDB: ============= START OF LOAD BALANCING ============== 85.4479 LDB: Largest compute 4820 load 0.027952 is 23.8% of average load 0.117668 LDB: Average compute 0.001710 is 1.5% of average load 0.117668 LDB: TIME 85.4503 LOAD: AVG 0.117668 MAX 0.178668 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.184 MB LDB: TIME 85.4506 LOAD: AVG 0.117668 MAX 0.178668 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.191 MB LDB: TIME 85.4507 LOAD: AVG 0.117668 MAX 0.178668 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 85.4524 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 85.4565 PRESSURE: 28400 -125.753 -168.156 -85.1345 -168.154 174.357 -57.4987 -85.1338 -57.4979 -1.6705 GPRESSURE: 28400 -98.4243 -157.906 -6.76787 -122.735 196.549 -127.819 -118.154 -21.2844 46.8475 PRESSAVG: 28400 -38.9097 -0.242856 -34.0974 -0.242855 59.4738 3.8302 -34.0973 3.8303 -5.48033 GPRESSAVG: 28400 -40.1761 -2.18791 -32.6344 -1.58628 59.9102 2.27892 -36.3799 5.06056 -4.79252 TIMING: 28400 CPU: 82.3609, 0.00294817/step Wall: 82.3609, 0.00294817/step, 4.07142 hours remaining, 196.824219 MB of memory in use. ENERGY: 28400 730.2806 2056.8616 1948.1947 99.3200 -206264.1818 17784.1382 0.0000 0.0000 34342.7112 -149302.6754 299.9234 -183645.3867 -149203.9643 298.8936 15.6445 48.3239 557178.9219 5.0279 4.9805 PRESSURE: 28600 88.2787 -140.741 -95.9827 -140.741 -95.4661 -98.1739 -95.9834 -98.1739 -184.982 GPRESSURE: 28600 125.736 -204.101 -127.427 -27.6237 -73.1305 -63.9417 -114.713 -163.889 -136.056 PRESSAVG: 28600 -38.2699 -44.7568 -54.7454 -44.7568 -9.78672 -7.08721 -54.7454 -7.08722 51.7372 GPRESSAVG: 28600 -37.3454 -43.696 -56.0706 -44.0673 -9.87892 -3.52168 -54.5266 -8.79343 51.2119 TIMING: 28600 CPU: 82.9378, 0.00288413/step Wall: 82.9378, 0.00288413/step, 3.98282 hours remaining, 196.824219 MB of memory in use. ENERGY: 28600 744.1634 2079.7071 1939.7786 113.0360 -206341.8090 17780.3786 0.0000 0.0000 34394.1205 -149290.6247 300.3724 -183684.7452 -149189.8093 299.1772 -64.0566 -27.8169 556296.6699 1.2268 1.3292 PRESSURE: 28800 -50.6201 -3.63585 226.254 -3.63575 147.997 -173.582 226.253 -173.581 78.1453 GPRESSURE: 28800 -21.2972 -2.67421 181.149 38.2916 120.697 -221.241 262.088 -98.0048 170.881 PRESSAVG: 28800 -104.222 35.6607 1.15662 35.6607 68.6573 -8.13146 1.15675 -8.13163 26.4732 GPRESSAVG: 28800 -104.607 35.9296 -0.459788 37.4392 66.9958 -10.1762 1.14733 -5.16062 28.0198 TIMING: 28800 CPU: 83.5127, 0.00287456/step Wall: 83.5127, 0.00287456/step, 3.96945 hours remaining, 196.824219 MB of memory in use. ENERGY: 28800 746.7287 2135.0219 1936.1216 109.4055 -206284.1240 17709.2174 0.0000 0.0000 34368.9365 -149278.6924 300.1525 -183647.6290 -149184.8290 299.0876 58.5073 90.0934 555749.1117 -3.0305 -3.1971 PRESSURE: 29000 262.7 -39.1621 30.3994 -39.1626 164.444 37.6098 30.3982 37.6101 277.092 GPRESSURE: 29000 289.541 -26.4405 18.0969 -84.074 185.456 13.9736 -4.50752 -18.4827 331.698 PRESSAVG: 29000 -24.4746 26.9501 -14.4492 26.9501 42.3838 5.50591 -14.4493 5.50594 38.926 GPRESSAVG: 29000 -24.2607 26.8529 -13.4171 24.5976 43.9976 6.00946 -12.4889 3.20225 37.3654 TIMING: 29000 CPU: 84.0878, 0.00287548/step Wall: 84.0878, 0.00287548/step, 3.97056 hours remaining, 196.824219 MB of memory in use. ENERGY: 29000 749.1564 2122.3874 1940.6075 114.4756 -206900.7902 18273.6493 0.0000 0.0000 34310.9158 -149389.5981 299.6458 -183700.5139 -149297.8797 299.2687 234.7456 268.8984 558025.7053 18.9450 19.0341 PRESSURE: 29200 -20.0645 -16.5891 138.947 -16.5898 -36.5378 19.3118 138.947 19.312 -275.972 GPRESSURE: 29200 7.34551 19.7105 152.243 97.499 12.2169 21.6953 187.698 -89.4795 -261.577 PRESSAVG: 29200 -14.3077 -29.7359 16.5523 -29.736 1.60413 -38.4038 16.5524 -38.4038 21.3006 GPRESSAVG: 29200 -13.2387 -30.5666 17 -27.2778 1.09305 -40.2778 14.1571 -37.6952 21.4374 TIMING: 29200 CPU: 84.6649, 0.00288562/step Wall: 84.6649, 0.00288562/step, 3.9844 hours remaining, 196.824219 MB of memory in use. ENERGY: 29200 752.8829 2108.7237 1939.5752 120.8931 -206187.8231 17769.7840 0.0000 0.0000 34358.5019 -149137.4623 300.0613 -183495.9642 -149043.7255 299.4667 -110.8581 -80.6715 559305.3452 2.8657 3.0972 PRESSURE: 29400 31.2544 57.3337 -0.936772 57.3342 -151.161 13.4541 -0.936616 13.4528 -199.453 GPRESSURE: 29400 41.7351 35.4806 12.7897 89.447 -90.5325 -61.9672 69.4228 76.8251 -167.965 PRESSAVG: 29400 12.2221 34.3737 45.9553 34.3737 43.0549 17.5805 45.9553 17.5805 -96.16 GPRESSAVG: 29400 11.3096 35.8326 43.4855 32.8946 44.494 17.7076 50.1085 18.9856 -96.6527 TIMING: 29400 CPU: 85.2414, 0.00288231/step Wall: 85.2414, 0.00288231/step, 3.97967 hours remaining, 196.824219 MB of memory in use. ENERGY: 29400 773.1790 2110.0315 1939.4459 120.1840 -205927.1785 17765.1918 0.0000 0.0000 34149.0953 -149070.0511 298.2325 -183219.1463 -148969.3543 299.8801 -106.4532 -72.2543 559214.1597 -13.6277 -13.6164 PRESSURE: 29600 225.907 -81.6801 24.0237 -81.6798 -11.782 23.556 24.0235 23.5563 59.7245 GPRESSURE: 29600 209.173 11.8794 25.9514 -91.5485 56.7901 25.3478 105.627 52.932 102.239 PRESSAVG: 29600 31.2083 -75.4597 60.0046 -75.4597 -5.44049 47.3357 60.0045 47.3357 5.58645 GPRESSAVG: 29600 31.0288 -76.7588 62.367 -75.2588 -7.4171 50.6917 57.1969 43.7831 7.70409 TIMING: 29600 CPU: 85.8173, 0.00287967/step Wall: 85.8173, 0.00287967/step, 3.97586 hours remaining, 196.824219 MB of memory in use. ENERGY: 29600 730.1187 2093.3462 1950.1238 122.8658 -206237.5209 18021.5440 0.0000 0.0000 34328.3649 -148991.1575 299.7981 -183319.5224 -148891.8451 299.8988 91.2832 122.7339 558410.3965 10.4514 10.4386 PRESSURE: 29800 -87.0819 54.541 217.769 54.5393 -11.4439 3.49225 217.768 3.49287 -93.2943 GPRESSURE: 29800 -109.91 72.1835 183.609 108.739 7.86299 117.831 203.861 -44.5838 16.4916 PRESSAVG: 29800 -20.6059 -69.8746 57.6464 -69.8746 51.1538 -26.6918 57.6464 -26.6918 -45.7195 GPRESSAVG: 29800 -20.5816 -69.932 56.7305 -70.3894 51.906 -29.2837 57.27 -25.1461 -46.2292 TIMING: 29800 CPU: 86.3928, 0.00287761/step Wall: 86.3928, 0.00287761/step, 3.97285 hours remaining, 196.824219 MB of memory in use. ENERGY: 29800 760.1296 2166.4813 1929.7588 117.2092 -206021.7868 17764.4996 0.0000 0.0000 34393.2582 -148890.4501 300.3649 -183283.7083 -148802.5932 299.0910 -63.9401 -28.5186 560163.3067 -5.0572 -4.9683 PRESSURE: 30000 18.2002 7.14993 5.6077 7.14746 166.484 30.3645 5.60777 30.3638 -148.301 GPRESSURE: 30000 25.1476 -39.0402 24.7196 52.0893 132.003 52.7237 42.7971 28.6024 -18.4923 PRESSAVG: 30000 -57.644 -7.1619 17.7622 -7.16197 53.7321 0.90396 17.7622 0.903891 2.81214 GPRESSAVG: 30000 -57.337 -5.89246 18.0258 -5.74761 53.2927 0.207766 17.0887 1.19872 3.12765 TIMING: 30000 CPU: 86.9719, 0.00289527/step Wall: 86.9719, 0.00289527/step, 3.99708 hours remaining, 196.824219 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: 30000 770.3117 2103.2171 1959.7527 116.5380 -206121.6083 17856.3459 0.0000 0.0000 34437.6893 -148877.7536 300.7529 -183315.4430 -148777.0615 300.2486 12.1279 46.2194 557469.4835 -0.3666 -0.3056 PRESSURE: 30200 -244.843 -11.3052 -62.5703 -11.3042 -86.9452 -66.7286 -62.5701 -66.728 9.42958 GPRESSURE: 30200 -169.498 11.0169 -69.0427 -23.4866 -61.5601 -145.129 -94.8187 50.0793 3.83294 PRESSAVG: 30200 -31.8835 3.40949 16.4696 3.40945 -14.5047 44.8386 16.4696 44.8386 23.0399 GPRESSAVG: 30200 -32.4074 1.09606 16.0387 3.5936 -13.8421 45.1887 16.7817 47.5041 22.3392 TIMING: 30200 CPU: 87.5472, 0.00287689/step Wall: 87.5472, 0.00287689/step, 3.97154 hours remaining, 196.824219 MB of memory in use. ENERGY: 30200 707.4010 2076.1399 1929.7513 125.0718 -205852.8879 17677.6319 0.0000 0.0000 34454.5180 -148882.3740 300.8999 -183336.8921 -148790.1817 300.2135 -107.4529 -75.7416 559634.2384 -7.7828 -7.9701 PRESSURE: 30400 -90.0015 -103.865 196.471 -103.865 -202.803 127.17 196.47 127.17 -268.321 GPRESSURE: 30400 -113.273 -95.4351 214.454 -80.3093 -119.419 113.538 165.496 130.296 -229.369 PRESSAVG: 30400 -83.8596 -3.43519 38.1952 -3.43515 18.6543 33.7617 38.1952 33.7616 72.803 GPRESSAVG: 30400 -83.4201 -2.05733 39.4825 -4.99469 19.9351 32.1175 39.3251 33.6651 71.0312 TIMING: 30400 CPU: 88.1201, 0.00286417/step Wall: 88.1201, 0.00286417/step, 3.95382 hours remaining, 196.824219 MB of memory in use. ENERGY: 30400 761.2908 2089.5608 1976.7739 99.9177 -205769.6722 17595.9305 0.0000 0.0000 34396.9632 -148849.2352 300.3972 -183246.1984 -148747.5805 300.1889 -187.0415 -154.0204 558679.7737 2.5326 2.5154 PRESSURE: 30600 -119.865 22.9955 0.488925 22.9959 -267.646 76.352 0.488473 76.3512 91.1185 GPRESSURE: 30600 -94.2525 -42.3532 -18.0004 -14.9476 -192.028 98.7161 62.6855 -7.79862 90.7814 PRESSAVG: 30600 -61.389 53.9505 26.1833 53.9505 29.6229 69.032 26.1832 69.0321 38.2154 GPRESSAVG: 30600 -61.5734 55.0984 27.7941 55.1468 27.5467 71.4975 25.815 68.5704 39.6203 TIMING: 30600 CPU: 88.7, 0.00289945/step Wall: 88.7, 0.00289945/step, 4.00237 hours remaining, 196.824219 MB of memory in use. ENERGY: 30600 718.4863 2116.7908 1940.1336 112.7421 -205620.0298 17539.9848 0.0000 0.0000 34353.0288 -148838.8633 300.0135 -183191.8921 -148737.5620 300.0719 -98.7976 -65.1663 558775.4737 2.1498 1.8645 PRESSURE: 30800 -20.2397 25.8662 154.193 25.8661 -60.4169 134.358 154.193 134.358 70.9748 GPRESSURE: 30800 39.8795 74.7345 147.937 -40.0081 -75.418 30.2761 122.196 223.845 114.948 PRESSAVG: 30800 -89.0918 -0.71746 -27.6794 -0.717404 -7.34886 28.3904 -27.6793 28.3903 126.46 GPRESSAVG: 30800 -88.4276 -0.707174 -31.8674 0.479687 -7.60045 29.1484 -25.824 26.8811 125.833 TIMING: 30800 CPU: 89.2798, 0.00289938/step Wall: 89.2798, 0.00289938/step, 4.00211 hours remaining, 196.824219 MB of memory in use. ENERGY: 30800 732.1421 2132.9142 1948.5971 109.8913 -205608.9887 17582.1615 0.0000 0.0000 34375.4194 -148727.8632 300.2091 -183103.2826 -148631.1838 300.0211 -3.2272 26.4699 558374.2936 10.0063 9.9351 PRESSURE: 31000 -156.102 -146.208 72.8164 -146.207 45.1516 -161.194 72.8151 -161.195 135.485 GPRESSURE: 31000 -87.2515 -200.379 85.2347 -143.193 6.39651 -161.217 95.108 -73.2394 188.156 PRESSAVG: 31000 -63.8861 -10.4215 35.3754 -10.4214 43.3783 -20.3325 35.3755 -20.3325 11.6508 GPRESSAVG: 31000 -65.086 -9.66451 37.2171 -13.2652 43.5264 -20.8829 33.5971 -19.8113 12.3691 TIMING: 31000 CPU: 89.8587, 0.00289416/step Wall: 89.8587, 0.00289416/step, 3.99475 hours remaining, 196.824219 MB of memory in use. ENERGY: 31000 749.6362 2079.0576 1958.8802 124.9350 -205916.0809 17776.4237 0.0000 0.0000 34395.3233 -148831.8249 300.3829 -183227.1482 -148737.1278 300.1332 8.1780 35.7672 558970.5660 -2.9523 -3.0635 PRESSURE: 31200 4.19072 189.88 -62.765 189.88 -24.228 -170.661 -62.7656 -170.662 -113.361 GPRESSURE: 31200 16.6504 225.282 -51.3853 104.229 -27.2608 -138.881 -91.3632 -190.069 -14.9415 PRESSAVG: 31200 -31.2559 12.362 -21.704 12.3619 29.8552 -29.3984 -21.7039 -29.3983 25.847 GPRESSAVG: 31200 -31.9203 12.7939 -21.4528 11.4869 29.5407 -30.5904 -22.8914 -29.8658 26.4338 TIMING: 31200 CPU: 90.4355, 0.00288402/step Wall: 90.4355, 0.00288402/step, 3.98059 hours remaining, 196.824219 MB of memory in use. ENERGY: 31200 822.9846 2106.2109 1960.2761 121.4176 -206202.4494 18019.4857 0.0000 0.0000 34284.8322 -148887.2424 299.4180 -183172.0746 -148787.8824 300.0185 -44.4660 -8.5173 558421.7950 8.1488 8.0181 PRESSURE: 31400 -189.928 -96.9628 2.91125 -96.9632 -293.266 -64.9836 2.91045 -64.9854 -187.933 GPRESSURE: 31400 -170.287 -101.361 -58.7098 -53.1862 -248.113 -16.2427 71.1174 -52.0182 -134.318 PRESSAVG: 31400 -1.46539 44.2263 -80.0679 44.2263 13.2946 -19.6759 -80.0679 -19.6758 -0.887205 GPRESSAVG: 31400 -1.59263 44.9158 -80.4055 46.5373 15.1557 -20.7118 -77.5884 -19.1168 -1.90644 TIMING: 31400 CPU: 91.0138, 0.00289165/step Wall: 91.0138, 0.00289165/step, 3.99097 hours remaining, 196.824219 MB of memory in use. ENERGY: 31400 757.9699 2085.2090 1953.4910 102.3370 -205389.3963 17294.3354 0.0000 0.0000 34364.9575 -148831.0965 300.1177 -183196.0540 -148725.9399 300.3190 -223.7090 -184.2392 556905.2423 3.6474 3.8855 PRESSURE: 31600 -148.827 11.5015 -80.6199 11.5013 47.5435 20.3423 -80.6196 20.3421 -53.4487 GPRESSURE: 31600 -85.9114 25.3082 -93.7322 2.87225 91.257 15.7736 -131.822 54.0306 -69.4588 PRESSAVG: 31600 -71.6458 26.9752 -30.7396 26.9752 76.8036 19.5466 -30.7395 19.5466 -50.2432 GPRESSAVG: 31600 -70.9207 25.2812 -30.5042 25.2581 75.7334 22.6314 -31.0861 18.6615 -50.8447 TIMING: 31600 CPU: 91.5911, 0.00288638/step Wall: 91.5911, 0.00288638/step, 3.98353 hours remaining, 196.824219 MB of memory in use. ENERGY: 31600 735.1854 2122.6466 1931.9965 115.7225 -205320.8113 17423.8326 0.0000 0.0000 34272.2658 -148719.1618 299.3082 -182991.4276 -148617.3305 300.9053 -51.5774 -21.3711 558052.4725 -15.0285 -15.3440 PRESSURE: 31800 202.623 -19.9 18.1733 -19.8997 -93.5944 88.5826 18.1739 88.5807 4.83105 GPRESSURE: 31800 188.118 -12.076 70.4071 109.542 -6.23954 16.7848 -4.03943 153.082 23.5042 PRESSAVG: 31800 -62.5627 -0.81369 -28.4091 -0.813724 98.6242 13.4386 -28.4091 13.4387 -3.42794 GPRESSAVG: 31800 -64.1145 -1.26213 -29.886 0.767114 99.2573 11.6038 -30.06 15.4023 -2.25952 TIMING: 31800 CPU: 92.17, 0.00289467/step Wall: 92.17, 0.00289467/step, 3.99481 hours remaining, 196.824219 MB of memory in use. ENERGY: 31800 733.1436 2092.4949 1949.2587 114.9736 -205440.9571 17634.1532 0.0000 0.0000 34290.8461 -148626.0870 299.4705 -182916.9331 -148533.0737 300.8246 37.9533 68.4609 556555.3539 10.8778 10.9611 PRESSURE: 32000 24.354 5.73051 -46.9183 5.72921 363.313 95.1264 -46.9208 95.1265 126.996 GPRESSURE: 32000 45.283 -45.933 -59.2508 89.7053 383.494 66.8024 -63.2455 21.3952 180.925 PRESSAVG: 32000 8.12635 -1.03659 -12.3523 -1.03657 38.9827 17.4119 -12.3523 17.4118 -43.6519 GPRESSAVG: 32000 7.51028 0.544694 -9.77187 -0.448029 38.3154 18.4138 -11.8866 17.5429 -43.1251 TIMING: 32000 CPU: 92.7568, 0.00293389/step Wall: 92.7568, 0.00293389/step, 4.04877 hours remaining, 196.824219 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: 32000 760.5641 2100.4740 1937.1900 106.9724 -205962.1828 17975.7786 0.0000 0.0000 34352.7749 -148728.4287 300.0113 -183081.2037 -148633.7364 300.8412 171.5543 203.2339 557297.9647 1.1524 0.9002 PRESSURE: 32200 105.026 191.717 -17.8002 191.716 278.427 61.5476 -17.8006 61.5458 232.788 GPRESSURE: 32200 108.705 97.1975 -45.1302 210.517 346.621 122.036 -79.7829 61.6744 261.962 PRESSAVG: 32200 -4.48636 16.6954 14.915 16.6956 26.2079 14.7751 14.9149 14.775 -60.3455 GPRESSAVG: 32200 -2.89565 14.8724 13.0022 15.2555 25.7051 14.0619 16.0665 13.71 -61.2981 TIMING: 32200 CPU: 93.3332, 0.00288219/step Wall: 93.3332, 0.00288219/step, 3.97726 hours remaining, 196.824219 MB of memory in use. ENERGY: 32200 717.6582 2086.1872 1954.7255 115.2238 -206014.8484 17944.9773 0.0000 0.0000 34413.3779 -148782.6985 300.5406 -183196.0763 -148691.4501 300.4735 205.4138 239.0962 559242.5221 -12.8746 -12.8295 LDB: ============= START OF LOAD BALANCING ============== 96.7158 LDB: ============== END OF LOAD BALANCING =============== 96.716 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 96.7174 LDB: ============= START OF LOAD BALANCING ============== 97.0071 LDB: Largest compute 4820 load 0.025988 is 22.1% of average load 0.117764 LDB: Average compute 0.001704 is 1.4% of average load 0.117764 LDB: TIME 97.0097 LOAD: AVG 0.117764 MAX 0.177388 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.105 MB LDB: TIME 97.01 LOAD: AVG 0.117764 MAX 0.177388 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.145 MB LDB: TIME 97.0102 LOAD: AVG 0.117764 MAX 0.177388 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.145 MB LDB: ============== END OF LOAD BALANCING =============== 97.0122 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 97.0163 PRESSURE: 32400 152.657 49.2963 -76.6909 49.2961 -200.809 -152.521 -76.6915 -152.52 233.52 GPRESSURE: 32400 178.233 92.2721 35.8654 73.5295 -141.917 -108.869 -49.5563 -152.516 245.232 PRESSAVG: 32400 8.35473 11.3752 -53.4207 11.3752 -9.35957 19.1459 -53.4206 19.1459 26.2265 GPRESSAVG: 32400 7.73797 12.701 -52.3821 12.3867 -9.01875 19.9702 -54.6649 19.2348 25.8628 TIMING: 32400 CPU: 93.9206, 0.00293698/step Wall: 93.9206, 0.00293698/step, 4.0527 hours remaining, 200.605469 MB of memory in use. ENERGY: 32400 751.8026 2083.7000 1931.2439 112.2434 -205937.9422 17808.2560 0.0000 0.0000 34431.2028 -148819.4936 300.6963 -183250.6964 -148719.2847 301.1723 61.7896 93.8495 556613.6768 8.4072 8.1940 PRESSURE: 32600 20.0993 -80.7494 -53.6709 -80.748 380.534 -90.2216 -53.6713 -90.2226 110.435 GPRESSURE: 32600 42.6674 -81.1663 -15.3353 27.6722 427.166 -61.7568 -97.9455 -92.4649 132.985 PRESSAVG: 32600 21.4308 -1.38032 -1.28892 -1.38034 -89.9412 13.6564 -1.28884 13.6565 54.3995 GPRESSAVG: 32600 20.8834 -0.194537 -0.409368 -2.01036 -90.9332 14.3688 -1.87728 12.6592 55.126 TIMING: 32600 CPU: 94.4984, 0.00288884/step Wall: 94.4984, 0.00288884/step, 3.98612 hours remaining, 200.808594 MB of memory in use. ENERGY: 32600 729.2168 2103.9067 1929.5695 99.9245 -206275.1618 18088.5373 0.0000 0.0000 34356.8165 -148967.1905 300.0466 -183324.0070 -148869.9872 300.2095 170.3561 200.9395 557999.4883 -4.7036 -4.9746 PRESSURE: 32800 138.505 11.6606 -7.36867 11.6604 -124.433 131.956 -7.36821 131.957 87.8981 GPRESSURE: 32800 135.879 112.261 15.9223 -79.8736 -101.94 78.5266 -46.0906 144.739 153.358 PRESSAVG: 32800 -91.0209 -40.392 -33.0352 -40.3919 14.1646 2.35307 -33.0353 2.35308 69.5707 GPRESSAVG: 32800 -90.3261 -41.1952 -33.2733 -39.5812 15.0546 1.57612 -33.8501 3.49472 68.0077 TIMING: 32800 CPU: 95.0739, 0.00287731/step Wall: 95.0739, 0.00287731/step, 3.97004 hours remaining, 200.808594 MB of memory in use. ENERGY: 32800 726.6262 2116.0976 1927.9537 110.5904 -206110.3084 17806.0257 0.0000 0.0000 34506.2909 -148916.7240 301.3520 -183423.0148 -148821.1066 300.2225 33.9898 62.4324 557570.4789 -2.4285 -2.4213 PRESSURE: 33000 -44.8079 -103.077 -95.9699 -103.077 -131.351 -80.145 -95.9703 -80.1458 501.294 GPRESSURE: 33000 -8.31136 -59.1402 -133.256 -126.662 -79.3109 -140.222 -76.5355 -0.0830457 502.461 PRESSAVG: 33000 3.77953 -27.9134 -41.3324 -27.9133 -32.1273 38.3563 -41.3324 38.3563 42.236 GPRESSAVG: 33000 3.40072 -28.7553 -41.6362 -29.1063 -31.8649 38.9813 -39.3599 37.9145 42.5893 TIMING: 33000 CPU: 95.6528, 0.00289493/step Wall: 95.6528, 0.00289493/step, 3.99419 hours remaining, 200.808594 MB of memory in use. ENERGY: 33000 746.8545 2143.9815 1954.9943 116.1746 -206261.3425 18068.7736 0.0000 0.0000 34199.2021 -149031.3619 298.6701 -183230.5640 -148936.0726 299.7304 108.3782 138.2795 558116.2928 4.6294 4.7084 PRESSURE: 33200 118.314 42.9591 -8.31553 42.9583 -34.4708 -135.035 -8.31653 -135.035 69.3248 GPRESSURE: 33200 125.719 66.9321 10.4896 57.3403 5.15834 -161.27 -93.6867 -136.908 130.125 PRESSAVG: 33200 -38.9588 7.45005 -46.8032 7.45009 -15.1926 11.6601 -46.8031 11.66 29.0432 GPRESSAVG: 33200 -39.1675 8.38894 -46.2139 6.98147 -14.7993 13.7928 -47.684 12.6465 29.4632 TIMING: 33200 CPU: 96.2361, 0.00291651/step Wall: 96.2361, 0.00291651/step, 4.02381 hours remaining, 200.808594 MB of memory in use. ENERGY: 33200 744.7442 2082.4464 1957.9774 122.5550 -205830.2439 17629.1482 0.0000 0.0000 34291.2518 -149002.1209 299.4740 -183293.3727 -148899.5913 299.8717 51.0561 87.0007 556997.1564 -8.3694 -8.1679 PRESSURE: 33400 -196.944 221.614 -150.922 221.613 153.021 118.061 -150.922 118.062 -138.478 GPRESSURE: 33400 -171.111 122.228 -211.288 272.707 160.301 123.24 -139.448 29.7942 -61.6086 PRESSAVG: 33400 -72.3988 1.81357 -77.3182 1.8135 13.28 -26.877 -77.3182 -26.877 38.2128 GPRESSAVG: 33400 -71.9103 2.37946 -78.0039 1.6432 12.8992 -27.2025 -75.622 -27.1695 37.513 TIMING: 33400 CPU: 96.8137, 0.00288773/step Wall: 96.8137, 0.00288773/step, 3.98394 hours remaining, 200.808594 MB of memory in use. ENERGY: 33400 762.3131 2084.7150 1974.0687 119.1079 -205850.7241 17662.2370 0.0000 0.0000 34224.4309 -149023.8515 298.8905 -183248.2823 -148929.0822 299.7798 -60.8006 -24.1393 557654.8144 -6.9687 -7.1661 PRESSURE: 33600 -98.6632 12.4545 138.144 12.4545 94.9675 -145.734 138.143 -145.735 -21.3257 GPRESSURE: 33600 -81.8674 32.1171 248.131 -16.8898 123.266 -248.628 146.049 -127.165 23.814 PRESSAVG: 33600 -39.649 57.6812 25.0687 57.6811 -30.0464 -46.0399 25.0687 -46.0398 44.9529 GPRESSAVG: 33600 -39.5659 56.3084 26.9151 60.3501 -30.5789 -48.7777 24.8074 -46.0639 45.269 TIMING: 33600 CPU: 97.392, 0.00289162/step Wall: 97.392, 0.00289162/step, 3.98915 hours remaining, 200.808594 MB of memory in use. ENERGY: 33600 721.4246 2066.5919 1942.7643 112.2058 -205500.6787 17437.3309 0.0000 0.0000 34261.9846 -148958.3767 299.2184 -183220.3613 -148855.8190 299.5008 -8.3405 21.7377 558019.8568 -8.2475 -8.2920 PRESSURE: 33800 -143.15 51.9123 -15.3421 51.9128 49.8924 73.3232 -15.3414 73.3237 -26.0815 GPRESSURE: 33800 -57.8334 48.6076 -24.6869 35.5008 57.3542 130.887 1.42478 42.9468 -18.3941 PRESSAVG: 33800 -19.3415 17.9231 -15.4896 17.9231 1.95338 -17.2237 -15.4896 -17.2237 -18.6097 GPRESSAVG: 33800 -19.2583 19.0422 -18.1354 16.8642 1.69833 -17.5437 -15.1314 -17.5563 -18.8582 TIMING: 33800 CPU: 97.9693, 0.0028866/step Wall: 97.9693, 0.0028866/step, 3.98207 hours remaining, 200.808594 MB of memory in use. ENERGY: 33800 743.4300 2107.5072 1940.1962 111.8953 -205753.9900 17600.9799 0.0000 0.0000 34506.4993 -148743.4823 301.3538 -183249.9816 -148649.2518 300.7955 -39.7797 -6.2911 557930.6647 -11.9993 -12.1394 PRESSURE: 34000 34.8468 33.7723 10.2544 33.7719 -75.8487 -41.3484 10.2551 -41.3494 74.9928 GPRESSURE: 34000 116.839 -46.0065 -9.19839 -3.78401 -81.974 -71.3617 -18.0604 -30.8403 108.625 PRESSAVG: 34000 20.7382 7.75351 -2.97859 7.75352 -20.7362 -2.44457 -2.97857 -2.44454 50.2295 GPRESSAVG: 34000 20.5992 9.04393 -0.544852 5.40212 -19.4937 -2.41118 -6.44768 -1.65666 49.4265 TIMING: 34000 CPU: 98.5475, 0.00289062/step Wall: 98.5475, 0.00289062/step, 3.98745 hours remaining, 200.808594 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: 34000 778.4758 2086.3316 1953.1108 120.6033 -206393.0023 18012.9402 0.0000 0.0000 34687.2923 -148754.2482 302.9328 -183441.5404 -148653.1407 301.5492 11.3303 47.8299 558398.5639 16.7438 16.8440 PRESSURE: 34200 -206.929 41.2566 -80.2814 41.2574 -120.893 26.6116 -80.2815 26.6122 14.9741 GPRESSURE: 34200 -154.68 16.4231 -98.6632 13.1045 -122.055 56.6837 -38.898 -16.4352 67.6865 PRESSAVG: 34200 42.0689 -15.1928 0.162768 -15.1928 22.7432 2.79777 0.162835 2.79783 -63.0606 GPRESSAVG: 34200 42.6526 -17.6575 -0.921295 -11.5697 22.649 3.26241 2.4536 3.04682 -63.4572 TIMING: 34200 CPU: 99.1259, 0.00289202/step Wall: 99.1259, 0.00289202/step, 3.98922 hours remaining, 200.859375 MB of memory in use. ENERGY: 34200 711.4626 2109.4389 1956.9484 105.6280 -205604.1491 17432.7376 0.0000 0.0000 34483.1014 -148804.8322 301.1495 -183287.9336 -148704.7331 301.1723 -104.2826 -69.6826 556494.2545 0.5838 0.6148 PRESSURE: 34400 -137.684 24.2912 79.2115 24.2915 -258.382 -41.4241 79.2118 -41.4242 -53.6877 GPRESSURE: 34400 -80.8307 53.1815 148.515 31.7027 -211.157 57.1453 93.2578 -101.315 -54.1519 PRESSAVG: 34400 26.6677 8.03422 -30.3892 8.03418 -20.6827 60.0009 -30.3892 60.001 -18.1688 GPRESSAVG: 34400 27.5986 8.70971 -30.3965 6.55413 -22.874 62.424 -29.3215 57.8794 -16.7873 TIMING: 34400 CPU: 99.6993, 0.00286706/step Wall: 99.6993, 0.00286706/step, 3.95463 hours remaining, 200.859375 MB of memory in use. ENERGY: 34400 771.4657 2071.6799 1960.5054 111.2978 -205645.4298 17485.3013 0.0000 0.0000 34463.5368 -148781.6429 300.9786 -183245.1797 -148686.7361 300.4922 -149.9180 -115.3798 557625.5202 -4.0613 -4.0209 PRESSURE: 34600 -215.737 -37.2932 -39.4415 -37.2925 40.5451 -124.233 -39.4419 -124.234 19.7546 GPRESSURE: 34600 -172.847 -4.53335 -31.8827 -85.9528 121.133 -123.397 -50.8996 -94.1159 11.8582 PRESSAVG: 34600 8.22918 -41.7452 5.26909 -41.7453 17.7344 11.8441 5.26911 11.8442 -7.90559 GPRESSAVG: 34600 8.63167 -42.453 6.61939 -39.8437 18.499 10.5597 3.54948 12.9347 -9.38107 TIMING: 34600 CPU: 100.275, 0.00287727/step Wall: 100.275, 0.00287727/step, 3.96855 hours remaining, 200.859375 MB of memory in use. ENERGY: 34600 736.5915 2063.4205 1951.4743 112.0636 -205891.1642 17680.9053 0.0000 0.0000 34436.2895 -148910.4193 300.7407 -183346.7088 -148813.4507 300.7193 -51.8126 -13.2853 557099.6654 6.0193 5.9165 PRESSURE: 34800 71.8375 76.8454 -61.0048 76.8446 119.407 52.5581 -61.0048 52.5569 99.0393 GPRESSURE: 34800 63.9828 106.337 -9.27245 109.824 158.748 72.6072 -50.5814 117.957 151.06 PRESSAVG: 34800 59.6716 31.9998 -36.1298 31.9998 -4.82002 51.5373 -36.1298 51.5373 -63.9845 GPRESSAVG: 34800 58.6026 33.746 -36.9736 30.2413 -4.73572 52.0116 -35.6558 51.6161 -62.9811 TIMING: 34800 CPU: 100.85, 0.00287563/step Wall: 100.85, 0.00287563/step, 3.96613 hours remaining, 200.859375 MB of memory in use. ENERGY: 34800 728.1468 2176.6966 1928.8955 110.5290 -206079.3207 17802.4225 0.0000 0.0000 34279.1639 -149053.4664 299.3685 -183332.6303 -148954.4381 300.0063 96.7611 124.5970 556973.5039 -3.0443 -3.0381 PRESSURE: 35000 -100.469 157.623 -29.7831 157.624 100.273 -113.653 -29.7841 -113.652 -205.312 GPRESSURE: 35000 -27.4131 113.471 -106.075 207.769 76.5417 -116.861 -46.4886 -14.3274 -138.646 PRESSAVG: 35000 -33.591 31.7103 13.9912 31.7103 -3.15243 12.738 13.9911 12.7379 30.293 GPRESSAVG: 35000 -32.9978 31.1149 13.6258 31.4241 -3.93732 11.7614 14.7466 13.6457 31.0176 TIMING: 35000 CPU: 101.426, 0.00287845/step Wall: 101.426, 0.00287845/step, 3.96986 hours remaining, 200.859375 MB of memory in use. ENERGY: 35000 758.1667 2044.1083 1970.4374 107.9204 -206035.0643 17650.4829 0.0000 0.0000 34312.1274 -149191.8213 299.6563 -183503.9487 -149091.9046 299.3231 -68.5028 -29.8390 556782.7508 -2.1502 -1.9725 PRESSURE: 35200 -88.7873 -48.5809 86.4943 -48.5793 -111.672 -65.9414 86.4935 -65.9416 -184.454 GPRESSURE: 35200 -41.7525 37.0452 116.094 -131.465 -116.996 -157.025 52.4788 7.41104 -123.451 PRESSAVG: 35200 -29.6448 41.5617 11.266 41.5617 6.20787 -22.1455 11.2659 -22.1456 31.4796 GPRESSAVG: 35200 -29.6995 43.7758 12.0199 40.1763 6.69214 -23.1662 11.4324 -21.1454 31.0022 TIMING: 35200 CPU: 102.004, 0.00289197/step Wall: 102.004, 0.00289197/step, 3.98835 hours remaining, 200.859375 MB of memory in use. ENERGY: 35200 779.2030 2029.6685 1947.7500 124.7967 -206096.3036 17709.2312 0.0000 0.0000 34296.3941 -149209.2600 299.5189 -183505.6542 -149111.4259 298.6403 -128.3044 -94.0665 557995.1562 2.6809 2.6649 PRESSURE: 35400 -39.9737 -1.50424 -69.6985 -1.50334 -200.332 -44.4448 -69.6971 -44.4437 -137.472 GPRESSURE: 35400 3.94684 17.6765 -35.9692 47.0085 -165.766 -41.6385 -107.615 48.1903 -112.092 PRESSAVG: 35400 8.57529 -6.72978 -2.41226 -6.72978 38.9137 -8.77112 -2.41222 -8.77118 8.71022 GPRESSAVG: 35400 8.04232 -7.667 -3.67024 -5.23269 40.1012 -8.92398 -2.06113 -9.71532 7.05607 TIMING: 35400 CPU: 102.578, 0.00287211/step Wall: 102.578, 0.00287211/step, 3.9608 hours remaining, 200.859375 MB of memory in use. ENERGY: 35400 737.0625 2099.3203 1959.2077 92.1235 -205781.8509 17628.2689 0.0000 0.0000 33934.1779 -149331.6902 296.3556 -183265.8681 -149226.5370 298.3263 -125.9261 -91.3037 558202.4761 18.7331 18.3999 PRESSURE: 35600 57.7359 -105.777 -90.4484 -105.778 -143.283 -51.8713 -90.4492 -51.8719 -25.4734 GPRESSURE: 35600 70.5996 -93.4446 -65.3534 7.23034 -62.0209 -92.9768 -127.193 -41.4894 -26.8657 PRESSAVG: 35600 48.0606 -24.3008 1.57612 -24.3009 -19.6642 10.9999 1.57601 11 -45.7383 GPRESSAVG: 35600 46.9785 -24.8137 2.12593 -23.9081 -20.0799 12.1197 0.16062 8.92126 -44.5266 TIMING: 35600 CPU: 103.151, 0.0028636/step Wall: 103.151, 0.0028636/step, 3.9489 hours remaining, 200.859375 MB of memory in use. ENERGY: 35600 742.1033 2089.5820 1919.6661 114.3670 -205845.7578 17526.9800 0.0000 0.0000 34084.3208 -149368.7383 297.6669 -183453.0592 -149268.5509 298.6569 -37.0067 -6.0957 557045.7793 -5.7806 -5.8760 PRESSURE: 35800 -90.83 33.8413 73.1212 33.8409 -140.02 -9.66664 73.1206 -9.66737 -418.67 GPRESSURE: 35800 -56.1124 64.3232 79.5195 54.1085 -141.662 -91.1807 47.7942 30.2471 -359.472 PRESSAVG: 35800 -47.1686 -23.6132 38.5032 -23.6132 64.4499 -59.1755 38.5032 -59.1755 -55.2215 GPRESSAVG: 35800 -47.7752 -25.3687 37.9574 -23.9374 64.8417 -59.7361 40.4643 -57.5679 -54.812 TIMING: 35800 CPU: 103.727, 0.0028791/step Wall: 103.727, 0.0028791/step, 3.97011 hours remaining, 200.859375 MB of memory in use. ENERGY: 35800 756.7124 2126.8219 1937.9667 114.3054 -205825.0764 17404.9165 0.0000 0.0000 34268.3228 -149216.0307 299.2738 -183484.3535 -149114.0497 299.5283 -216.5066 -185.7488 557776.1334 -12.6467 -12.5818 PRESSURE: 36000 9.6702 140.16 -179.492 140.161 50.2033 -118.856 -179.492 -118.856 75.9599 GPRESSURE: 36000 30.7809 129.691 -173.585 118.298 100.371 -111.947 -169.696 -134.881 100.056 PRESSAVG: 36000 8.59784 43.618 8.28561 43.618 20.285 -68.468 8.28559 -68.4679 -64.7845 GPRESSAVG: 36000 9.97375 45.4914 8.49884 43.0954 19.9575 -69.4477 7.36111 -69.4404 -64.9334 TIMING: 36000 CPU: 104.309, 0.00291262/step Wall: 104.309, 0.00291262/step, 4.01618 hours remaining, 200.859375 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: 36000 730.6762 2064.9374 1951.0354 103.3860 -206508.1935 17924.2930 0.0000 0.0000 34308.4962 -149425.3692 299.6246 -183733.8654 -149327.5218 298.7824 45.2778 77.0691 557312.1964 -11.9672 -11.6674 PRESSURE: 36200 -141.894 -152.12 -6.41097 -152.122 80.1977 -29.3724 -6.4123 -29.3725 165.407 GPRESSURE: 36200 -72.3062 -129.126 12.8117 -142.962 80.1164 -4.255 -9.17793 -6.63059 175.394 PRESSAVG: 36200 41.7123 -12.0007 7.91805 -12.0008 25.3237 -3.42295 7.91802 -3.42302 -33.4593 GPRESSAVG: 36200 41.6241 -13.3183 9.86676 -9.19669 25.8145 -1.67478 7.4477 -5.02305 -33.3398 TIMING: 36200 CPU: 104.887, 0.00288756/step Wall: 104.887, 0.00288756/step, 3.98146 hours remaining, 200.859375 MB of memory in use. ENERGY: 36200 739.3342 2158.6518 1957.2104 121.4383 -206396.8030 17783.5110 0.0000 0.0000 34169.9561 -149466.7011 298.4147 -183636.6573 -149382.3962 298.6467 34.5703 61.0679 555959.5507 11.1923 11.3663 LDB: ============= START OF LOAD BALANCING ============== 108.271 LDB: ============== END OF LOAD BALANCING =============== 108.271 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 108.272 LDB: ============= START OF LOAD BALANCING ============== 108.564 LDB: Largest compute 4820 load 0.025367 is 21.6% of average load 0.117674 LDB: Average compute 0.001705 is 1.4% of average load 0.117674 LDB: TIME 108.566 LOAD: AVG 0.117674 MAX 0.181671 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.574 MB LDB: TIME 108.566 LOAD: AVG 0.117674 MAX 0.181671 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.645 MB LDB: TIME 108.566 LOAD: AVG 0.117674 MAX 0.181671 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.645 MB LDB: ============== END OF LOAD BALANCING =============== 108.568 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 108.573 PRESSURE: 36400 -206.471 127.186 13.8347 127.187 -189.284 80.9236 13.8361 80.923 -113.765 GPRESSURE: 36400 -192.986 189.475 2.30495 166.093 -142.962 94.0501 -46.6434 99.5044 -76.82 PRESSAVG: 36400 23.1927 -18.5683 5.16528 -18.5683 47.1323 33.8786 5.16527 33.8786 -35.4133 GPRESSAVG: 36400 24.2927 -17.1641 1.09931 -21.1263 45.6032 34.5992 8.53765 33.2303 -34.6799 TIMING: 36400 CPU: 105.477, 0.00295034/step Wall: 105.477, 0.00295034/step, 4.06786 hours remaining, 199.132812 MB of memory in use. ENERGY: 36400 713.5230 2020.4557 1957.0036 116.7157 -205689.3532 17366.7432 0.0000 0.0000 34196.2337 -149318.6783 298.6442 -183514.9120 -149222.3528 299.2241 -169.8402 -137.5892 556702.9082 11.6372 11.7387 PRESSURE: 36600 -70.8322 -25.2922 93.014 -25.2928 -190.834 -131.12 93.0135 -131.119 -20.0221 GPRESSURE: 36600 -33.1322 -4.10737 98.1691 -64.8079 -157.168 -158.907 -6.00893 -49.8802 -0.0100434 PRESSAVG: 36600 42.7205 7.08866 34.6446 7.08877 -63.3584 31.9581 34.6445 31.9581 14.5881 GPRESSAVG: 36600 41.6808 6.72471 38.2522 7.55353 -62.2251 28.7736 31.7167 35.6849 14.3851 TIMING: 36600 CPU: 106.057, 0.00289867/step Wall: 106.057, 0.00289867/step, 3.99646 hours remaining, 199.132812 MB of memory in use. ENERGY: 36600 763.8712 2027.6989 1948.3411 114.5700 -206006.7565 17649.7057 0.0000 0.0000 34194.4196 -149308.1500 298.6284 -183502.5696 -149212.0296 299.0436 -93.8963 -63.4368 556566.1372 -2.0166 -2.0531 PRESSURE: 36800 67.3695 71.8295 -235.104 71.8305 222.423 165.409 -235.103 165.409 -103.081 GPRESSURE: 36800 88.0001 112.418 -228.274 34.525 276.142 147.997 -246.483 161.561 -70.2526 PRESSAVG: 36800 -4.83772 55.6145 -17.0581 55.6144 39.1648 28.0734 -17.0581 28.0734 7.6853 GPRESSAVG: 36800 -2.96213 56.0508 -16.8898 54.744 38.5146 26.3435 -16.0305 28.3474 6.51258 TIMING: 36800 CPU: 106.635, 0.00288934/step Wall: 106.635, 0.00288933/step, 3.98343 hours remaining, 199.132812 MB of memory in use. ENERGY: 36800 751.3847 2027.3791 1932.2928 112.6358 -206411.0606 17961.4742 0.0000 0.0000 34294.7938 -149331.1002 299.5050 -183625.8940 -149231.2150 298.9282 62.2372 97.9632 555821.4558 14.0041 14.0217 PRESSURE: 37000 -30.3721 145.199 87.1592 145.201 -118.525 -101.267 87.1588 -101.267 -479.536 GPRESSURE: 37000 -122.446 153.874 91.0262 92.256 -70.8817 -99.8243 85.9169 -164.452 -331.067 PRESSAVG: 37000 117.163 35.063 38.5779 35.0631 -38.0965 20.6424 38.5778 20.6424 -52.4112 GPRESSAVG: 37000 115.51 34.2853 36.9236 35.2352 -37.3168 22.7714 40.1732 19.0504 -51.1486 TIMING: 37000 CPU: 107.21, 0.00287754/step Wall: 107.21, 0.00287754/step, 3.96701 hours remaining, 199.132812 MB of memory in use. ENERGY: 37000 754.5351 2035.3455 1916.3101 106.3027 -205975.4430 17589.7693 0.0000 0.0000 34337.6493 -149235.5310 299.8792 -183573.1802 -149141.4689 299.3898 -209.4775 -174.7982 557263.8095 8.8852 9.0147 PRESSURE: 37200 -180.114 34.7377 -88.2526 34.7387 -120.46 -79.7874 -88.2525 -79.788 -208.86 GPRESSURE: 37200 -127.181 19.5244 -104.934 60.7627 -82.2448 -80.2194 -95.5294 -139.261 -214.002 PRESSAVG: 37200 52.1156 31.6122 35.5544 31.6122 -57.4699 13.5093 35.5545 13.5095 -39.3332 GPRESSAVG: 37200 53.3673 32.8556 36.2508 32.0745 -58.4854 13.4607 34.6612 13.6825 -39.206 TIMING: 37200 CPU: 107.785, 0.00287497/step Wall: 107.785, 0.00287497/step, 3.96331 hours remaining, 199.132812 MB of memory in use. ENERGY: 37200 765.1145 2102.2175 1963.7192 117.9426 -205821.7800 17616.3581 0.0000 0.0000 34158.3944 -149098.0337 298.3138 -183256.4282 -149000.9985 298.8339 -169.8111 -141.1427 557948.5003 -14.8958 -14.7747 PRESSURE: 37400 226.843 6.73535 115.663 6.73559 226.219 -50.2072 115.662 -50.2073 -58.8739 GPRESSURE: 37400 258.861 -26.9049 220.207 -32.0066 276.007 -86.8932 148.52 -25.9669 -39.6448 PRESSAVG: 37400 82.5025 7.86285 -0.593037 7.86282 -10.1628 -5.55768 -0.592989 -5.5577 -54.4616 GPRESSAVG: 37400 81.354 4.96214 -2.44025 9.71522 -9.65616 -5.02211 -0.369168 -7.00837 -53.9407 TIMING: 37400 CPU: 108.36, 0.00287467/step Wall: 108.36, 0.00287467/step, 3.96273 hours remaining, 199.132812 MB of memory in use. ENERGY: 37400 733.9191 2133.4131 1934.6977 108.2306 -206193.5650 17959.7138 0.0000 0.0000 34267.5770 -149056.0137 299.2673 -183323.5907 -148963.3411 299.3035 131.3958 165.0745 557146.6628 5.9594 5.9190 PRESSURE: 37600 129.66 47.4276 105.511 47.4301 -220.524 -249.853 105.51 -249.855 -86.1474 GPRESSURE: 37600 142.208 28.9326 144.363 117.636 -209.243 -264.535 56.3356 -173.363 -9.99474 PRESSAVG: 37600 14.0012 14.512 2.59719 14.5122 -18.728 -22.7218 2.59715 -22.7218 -43.9746 GPRESSAVG: 37600 14.505 16.5348 3.54923 11.3666 -18.5314 -22.4903 3.10744 -22.3089 -43.7232 TIMING: 37600 CPU: 108.94, 0.00290034/step Wall: 108.94, 0.00290034/step, 3.99796 hours remaining, 199.132812 MB of memory in use. ENERGY: 37600 749.7431 2055.7370 1956.4541 102.8360 -205915.2462 17628.1772 0.0000 0.0000 34313.8862 -149108.4125 299.6717 -183422.2987 -149013.1644 299.5031 -59.0038 -25.6765 557459.5705 -16.2338 -15.9165 PRESSURE: 37800 17.3359 67.8051 116.138 67.8072 -39.6018 30.8282 116.138 30.8291 36.616 GPRESSURE: 37800 44.9639 158.478 99.8145 55.6184 -29.869 -42.7807 102.021 34.5147 93.1423 PRESSAVG: 37800 -2.85476 24.2148 22.1655 24.2148 37.3211 -61.4432 22.1654 -61.4433 -9.39562 GPRESSAVG: 37800 -2.73733 22.5249 21.3733 25.0425 37.1982 -60.0243 19.7574 -63.595 -9.40011 TIMING: 37800 CPU: 109.516, 0.00288179/step Wall: 109.516, 0.00288179/step, 3.97222 hours remaining, 199.132812 MB of memory in use. ENERGY: 37800 730.4333 2106.7370 1933.3490 102.7670 -206371.1012 17938.5362 0.0000 0.0000 34206.9228 -149352.3560 298.7376 -183559.2788 -149257.9578 299.4700 4.7834 36.0791 557400.9671 8.3569 8.3536 PRESSURE: 38000 -43.8815 116.197 -58.8709 116.197 -202.966 47.9288 -58.8698 47.9288 -55.1451 GPRESSURE: 38000 -28.516 142.189 44.2148 112.277 -147.856 67.8515 -5.29985 6.52097 -24.9853 PRESSAVG: 38000 50.0859 6.37178 -39.1782 6.37176 -35.3071 7.30909 -39.1783 7.30907 -16.6632 GPRESSAVG: 38000 50.7303 7.60643 -38.5023 6.94901 -35.7384 4.12883 -38.029 9.80642 -16.7699 TIMING: 38000 CPU: 110.088, 0.00285712/step Wall: 110.088, 0.00285712/step, 3.93806 hours remaining, 199.132812 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: 38000 731.0852 2072.8493 1944.3078 118.7142 -205999.3302 17574.4402 0.0000 0.0000 34233.6821 -149324.2514 298.9713 -183557.9335 -149227.4535 298.5119 -100.6641 -67.1192 557188.8144 -0.6282 -0.5927 PRESSURE: 38200 -69.1718 24.6123 -147.139 24.6126 105.302 -31.1061 -147.137 -31.1068 -249.557 GPRESSURE: 38200 -36.2721 39.0238 -150.839 15.1546 114.537 16.115 -122.478 -36.1528 -207.439 PRESSAVG: 38200 47.975 -19.8493 9.16487 -19.8492 -13.5843 49.6035 9.16484 49.6035 -14.3629 GPRESSAVG: 38200 47.5116 -18.362 8.97696 -19.0217 -12.5052 51.6771 9.27175 50.473 -15.5529 TIMING: 38200 CPU: 110.664, 0.00287958/step Wall: 110.664, 0.00287958/step, 3.96886 hours remaining, 199.132812 MB of memory in use. ENERGY: 38200 691.1719 2105.8243 1941.2005 120.0340 -206178.9719 17717.5403 0.0000 0.0000 34259.7186 -149343.4823 299.1986 -183603.2010 -149249.9984 299.0227 -71.1420 -43.0580 558294.3370 6.6760 6.4845 PRESSURE: 38400 -317.826 93.4135 -151.449 93.4141 -49.3024 40.2391 -151.449 40.2386 117.676 GPRESSURE: 38400 -314.068 126.027 -153.329 149.083 -31.0287 -13.0407 -207.227 34.0331 194.489 PRESSAVG: 38400 -17.2935 66.7801 -23.8477 66.7801 -41.8179 -15.5249 -23.8477 -15.5249 51.0745 GPRESSAVG: 38400 -17.9644 64.5698 -23.3308 66.7876 -41.7897 -14.0221 -22.8029 -17.2258 52.0983 TIMING: 38400 CPU: 111.238, 0.00287101/step Wall: 111.238, 0.00287101/step, 3.9569 hours remaining, 199.132812 MB of memory in use. ENERGY: 38400 753.2058 2103.2930 1971.5333 123.9702 -206222.1855 17908.0416 0.0000 0.0000 33995.0195 -149367.1220 296.8870 -183362.1415 -149276.2762 299.0295 -83.1508 -50.2025 558200.2807 -2.6790 -2.5519 PRESSURE: 38600 -150.292 56.0577 -98.6639 56.0588 -20.3253 -30.2687 -98.6626 -30.2673 -143.222 GPRESSURE: 38600 -143.213 97.9359 -119.588 -9.32709 6.79614 58.9242 -209.775 -63.8312 -86.2502 PRESSAVG: 38600 11.7682 38.1032 2.47537 38.1033 -23.5548 -51.0178 2.47544 -51.0178 26.166 GPRESSAVG: 38600 12.3592 37.1349 1.77632 37.5437 -23.8852 -52.0914 2.19453 -51.8596 25.7739 TIMING: 38600 CPU: 111.814, 0.00287894/step Wall: 111.814, 0.00287894/step, 3.96766 hours remaining, 199.132812 MB of memory in use. ENERGY: 38600 736.1261 2122.9752 1942.9405 111.0724 -206091.8314 17565.3084 0.0000 0.0000 34237.1190 -149376.2898 299.0013 -183613.4088 -149284.4252 298.9995 -104.6133 -74.2223 558718.4111 4.7932 4.7493 PRESSURE: 38800 -38.1883 -99.012 0.883738 -99.0126 -176.4 -179.255 0.882867 -179.255 -105.307 GPRESSURE: 38800 -18.0558 -130.209 79.4867 -23.9793 -152.098 -197.675 -78.4453 -151.79 -39.4563 PRESSAVG: 38800 56.3722 22.9807 13.2936 22.9807 -53.7868 -20.2575 13.2937 -20.2574 21.6126 GPRESSAVG: 38800 56.4497 23.6379 14.8776 22.2776 -54.0684 -17.5456 9.10366 -21.9583 22.1649 TIMING: 38800 CPU: 112.392, 0.00289124/step Wall: 112.392, 0.00289124/step, 3.98445 hours remaining, 199.132812 MB of memory in use. ENERGY: 38800 748.5826 2087.9010 1977.5079 96.7086 -206191.2413 17657.7057 0.0000 0.0000 34220.8572 -149401.9783 298.8593 -183622.8354 -149312.8358 298.6329 -106.6317 -69.8701 557057.4809 8.0660 8.1821 PRESSURE: 39000 -236.158 10.2467 -15.6032 10.2451 159.177 69.9379 -15.6041 69.9392 -166.679 GPRESSURE: 39000 -170.135 -102.655 62.6275 29.6895 134.173 73.3105 -117.292 70.6694 -114.128 PRESSAVG: 39000 -31.3537 -5.35062 38.103 -5.35075 -1.72586 -0.522457 38.1029 -0.522594 -6.94001 GPRESSAVG: 39000 -31.6078 -5.99352 36.953 -3.21962 -1.14228 -4.76127 41.1323 1.86564 -6.97202 TIMING: 39000 CPU: 112.972, 0.00290083/step Wall: 112.972, 0.00290083/step, 3.9975 hours remaining, 199.132812 MB of memory in use. ENERGY: 39000 799.8705 2089.2033 1958.3089 121.5660 -206357.2748 17875.6904 0.0000 0.0000 34067.0198 -149445.6158 297.5158 -183512.6356 -149354.8217 299.1079 -81.2200 -50.0302 556334.2654 -13.3399 -13.2407 PRESSURE: 39200 -305.986 -52.1129 1.31579 -52.1131 -5.36301 -187.598 1.31671 -187.598 -15.4026 GPRESSURE: 39200 -260.053 8.33959 -17.1415 -45.3039 40.1216 -123.055 65.4806 -189.672 -15.4221 PRESSAVG: 39200 32.5603 16.3363 -19.7253 16.3364 -15.375 14.1625 -19.7252 14.1625 -11.7588 GPRESSAVG: 39200 33.2168 17.1257 -19.1496 15.4522 -15.7517 15.1374 -20.2605 14.1511 -12.3423 TIMING: 39200 CPU: 113.553, 0.00290226/step Wall: 113.553, 0.00290226/step, 3.99932 hours remaining, 199.132812 MB of memory in use. ENERGY: 39200 742.3391 2059.1670 1964.9766 117.0732 -206111.1178 17603.7061 0.0000 0.0000 34171.2435 -149452.6122 298.4260 -183623.8557 -149356.4185 298.3339 -108.9171 -78.4511 557284.5963 1.8088 1.7076 PRESSURE: 39400 -280.027 142.253 -60.9705 142.254 198.864 23.5804 -60.9702 23.5798 -21.7637 GPRESSURE: 39400 -229.674 160.408 -28.4423 160.309 215.798 -175.452 -73.2282 151.371 15.9015 PRESSAVG: 39400 -41.0483 -29.3139 -39.2659 -29.3139 -25.9734 15.1787 -39.2658 15.1787 43.3712 GPRESSAVG: 39400 -41.3517 -28.3281 -40.5896 -28.3578 -26.45 15.5119 -38.2677 15.5934 44.0345 TIMING: 39400 CPU: 114.128, 0.00287521/step Wall: 114.128, 0.00287521/step, 3.96189 hours remaining, 199.132812 MB of memory in use. ENERGY: 39400 743.9354 2123.2498 1961.4209 124.5747 -206591.9791 17727.6191 0.0000 0.0000 34346.9288 -149564.2504 299.9603 -183911.1792 -149468.3068 298.4136 -34.3089 0.6752 556490.4290 -7.8835 -7.9224 PRESSURE: 39600 160.541 -19.9495 115.864 -19.95 79.7802 74.7556 115.864 74.7546 -50.416 GPRESSURE: 39600 218.975 -10.1567 79.8237 32.1538 67.4521 87.8547 182.814 23.2574 4.74233 PRESSAVG: 39600 -18.1923 41.3481 13.3341 41.3481 -32.3042 72.53 13.3341 72.53 60.212 GPRESSAVG: 39600 -19.4803 39.612 13.3528 41.7656 -30.6265 70.3386 13.0113 73.5141 59.4074 TIMING: 39600 CPU: 114.707, 0.00289592/step Wall: 114.707, 0.00289592/step, 3.99026 hours remaining, 199.132812 MB of memory in use. ENERGY: 39600 793.0612 2101.8522 1953.8865 114.7225 -206517.1906 17938.9531 0.0000 0.0000 34152.4726 -149462.2425 298.2620 -183614.7151 -149368.2888 298.3404 63.3016 97.0563 556401.0228 3.2385 3.1002 PRESSURE: 39800 63.2673 -103.506 64.0009 -103.506 -137.592 19.5353 64.0007 19.5371 -84.1297 GPRESSURE: 39800 62.0182 -91.6637 83.8125 -152.239 -48.7897 88.9047 42.2206 55.1266 -59.9515 PRESSAVG: 39800 -49.4703 46.6341 -5.62599 46.6341 21.6413 28.0193 -5.62593 28.0191 14.6933 GPRESSAVG: 39800 -49.4186 47.9054 -6.4698 45.7506 21.0939 30.8015 -4.45753 27.5252 14.5091 TIMING: 39800 CPU: 115.283, 0.00287845/step Wall: 115.283, 0.00287845/step, 3.96603 hours remaining, 199.132812 MB of memory in use. ENERGY: 39800 758.8433 2062.0219 1934.6305 101.0054 -206513.6163 17747.5961 0.0000 0.0000 34375.8288 -149533.6901 300.2127 -183909.5190 -149431.1730 298.3262 -52.8180 -15.5743 557413.9415 -4.3786 -4.6052 PRESSURE: 40000 -77.2665 128.379 59.3678 128.379 -150.529 6.72992 59.3679 6.72914 -69.035 GPRESSURE: 40000 -66.6732 80.789 -20.6437 120.587 -99.0654 50.2666 63.393 42.8816 -31.5118 PRESSAVG: 40000 46.3934 7.41857 -20.0196 7.41852 -13.8801 32.9334 -20.0196 32.9333 -35.0098 GPRESSAVG: 40000 46.5438 5.94023 -20.6897 10.2125 -14.1398 32.4174 -20.8152 31.7081 -34.6543 TIMING: 40000 CPU: 115.857, 0.00287392/step Wall: 115.857, 0.00287392/step, 3.95963 hours remaining, 199.132812 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: 40000 710.8967 2117.4686 1982.4518 112.8165 -206181.1842 17537.1894 0.0000 0.0000 34302.0287 -149418.3325 299.5681 -183720.3612 -149316.1483 299.0365 -98.9435 -65.7502 556308.2503 -0.8322 -0.7501 PRESSURE: 40200 190.049 5.74886 -116.74 5.74927 77.6034 -59.2268 -116.739 -59.2276 74.401 GPRESSURE: 40200 195.097 102.157 -69.8068 68.8665 100.468 -36.3229 -224.34 -82.4606 154.376 PRESSAVG: 40200 19.0236 31.6763 -31.9935 31.6763 -14.946 37.7157 -31.9935 37.7157 -8.67977 GPRESSAVG: 40200 18.6183 35.9412 -29.7707 28.1474 -14.3032 37.6144 -32.5101 38.2245 -8.99644 TIMING: 40200 CPU: 116.435, 0.00288794/step Wall: 116.435, 0.00288794/step, 3.97877 hours remaining, 199.132812 MB of memory in use. ENERGY: 40200 774.3635 2068.1725 1966.0018 111.4076 -206252.1715 18001.5926 0.0000 0.0000 34131.9087 -149198.7249 298.0824 -183330.6336 -149109.6470 299.1494 114.0179 149.9803 557080.1757 -1.5341 -1.5604 LDB: ============= START OF LOAD BALANCING ============== 119.82 LDB: ============== END OF LOAD BALANCING =============== 119.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 119.821 LDB: ============= START OF LOAD BALANCING ============== 120.11 LDB: Largest compute 4820 load 0.025115 is 21.3% of average load 0.117831 LDB: Average compute 0.001702 is 1.4% of average load 0.117831 LDB: TIME 120.112 LOAD: AVG 0.117831 MAX 0.17925 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.062 MB LDB: TIME 120.113 LOAD: AVG 0.117831 MAX 0.17925 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.062 MB LDB: TIME 120.113 LOAD: AVG 0.117831 MAX 0.17925 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.062 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 120.115 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 120.119 PRESSURE: 40400 -0.316903 125.66 -166.377 125.66 -170.5 -22.2196 -166.374 -22.2195 85.5232 GPRESSURE: 40400 -2.88923 39.5639 -262.543 114.063 -126.53 -15.4532 -151.17 20.0411 141.313 PRESSAVG: 40400 -15.3931 31.7243 -28.3428 31.7243 -33.4284 -16.6223 -28.3428 -16.6222 -2.38424 GPRESSAVG: 40400 -14.9025 28.3793 -28.0909 32.2992 -34.4495 -15.314 -28.6809 -17.5074 -1.52133 TIMING: 40400 CPU: 117.023, 0.00294078/step Wall: 117.023, 0.00294078/step, 4.05141 hours remaining, 199.558594 MB of memory in use. ENERGY: 40400 773.5325 2116.1822 1979.4580 111.8538 -206551.5247 17924.9658 0.0000 0.0000 34229.3797 -149416.1527 298.9337 -183645.5324 -149324.0462 299.0517 -28.4313 3.9646 555033.4709 -17.0686 -16.9578 PRESSURE: 40600 267.679 15.8549 6.81311 15.855 -51.752 -27.4297 6.81195 -27.4291 -77.557 GPRESSURE: 40600 259.457 85.1162 33.8046 -69.4193 -57.6437 -109.336 -12.1292 101.366 18.3778 PRESSAVG: 40600 20.7892 21.5147 -27.4425 21.5147 -58.7849 -14.9954 -27.4424 -14.9954 8.98144 GPRESSAVG: 40600 20.9354 22.8747 -28.3531 19.385 -58.1147 -16.3203 -27.3789 -14.0209 8.00751 TIMING: 40600 CPU: 117.6, 0.00288331/step Wall: 117.6, 0.00288331/step, 3.97209 hours remaining, 199.800781 MB of memory in use. ENERGY: 40600 743.8453 2073.5182 1960.3956 105.4782 -206178.2159 17873.4702 0.0000 0.0000 33934.3058 -149487.2025 296.3567 -183421.5082 -149386.0720 298.5149 46.1233 73.3972 555766.9719 -9.6714 -9.7239 PRESSURE: 40800 -407.086 -53.2644 71.0646 -53.2644 -64.605 280.375 71.0639 280.375 -263.064 GPRESSURE: 40800 -345.524 -106.854 92.9285 -2.3691 -37.8275 271.536 25.3745 234.204 -249.499 PRESSAVG: 40800 -0.670375 -7.78881 16.0216 -7.7888 50.3174 2.53659 16.0216 2.53656 -36.8265 GPRESSAVG: 40800 0.0494639 -8.64149 15.9246 -4.17997 49.8811 3.4724 17.3418 -0.103319 -37.6175 TIMING: 40800 CPU: 118.175, 0.00287695/step Wall: 118.175, 0.00287695/step, 3.96316 hours remaining, 199.800781 MB of memory in use. ENERGY: 40800 774.5775 2110.4227 1975.2498 109.2310 -206115.8101 17452.2512 0.0000 0.0000 34125.5732 -149568.5048 298.0271 -183694.0779 -149473.4202 297.5746 -244.9183 -210.9500 557219.5118 4.2735 4.1044 PRESSURE: 41000 -45.9227 55.4733 2.2809 55.4724 -183.258 -60.4656 2.28039 -60.4656 188.514 GPRESSURE: 41000 -44.4885 -59.5214 -40.27 62.7792 -61.3693 -25.5176 31.4175 -137.874 156.996 PRESSAVG: 41000 -24.2049 37.7213 17.3093 37.7214 -17.2156 -34.6772 17.3093 -34.6772 25.0438 GPRESSAVG: 41000 -24.3244 37.5398 17.5978 36.6943 -16.1632 -35.0954 17.8207 -34.4315 24.8172 TIMING: 41000 CPU: 118.747, 0.00286106/step Wall: 118.747, 0.00286106/step, 3.9411 hours remaining, 199.800781 MB of memory in use. ENERGY: 41000 733.1857 2081.4016 1953.9831 119.2025 -206267.1370 17853.7426 0.0000 0.0000 34220.8548 -149304.7667 298.8592 -183525.6215 -149212.7354 298.5694 -13.5557 17.0462 557151.5158 -5.4589 -5.2235 PRESSURE: 41200 -106.656 -51.5322 -139.205 -51.5318 -49.6933 -81.6553 -139.204 -81.6533 -43.7402 GPRESSURE: 41200 -15.938 -87.2775 -190.608 -87.6808 -49.699 -26.106 -140.757 -120.971 -39.4971 PRESSAVG: 41200 -18.4414 13.3369 -2.40067 13.337 -39.6907 30.8116 -2.40068 30.8115 44.8897 GPRESSAVG: 41200 -18.4566 13.0338 -1.38807 13.3807 -41.1026 30.5074 -4.51687 32.8105 46.1401 TIMING: 41200 CPU: 119.32, 0.00286561/step Wall: 119.32, 0.00286561/step, 3.94722 hours remaining, 199.800781 MB of memory in use. ENERGY: 41200 718.2745 2077.9625 1977.2851 115.2578 -206020.2334 17614.6674 0.0000 0.0000 34228.2808 -149288.5051 298.9241 -183516.7859 -149187.8329 299.2444 -66.6964 -35.0447 556876.0339 -4.4141 -4.4731 PRESSURE: 41400 1.18029 -26.6471 11.4818 -26.6464 -159.998 91.1412 11.4834 91.1419 -94.8816 GPRESSURE: 41400 10.0186 -10.4409 -85.523 -17.3479 -82.6952 147.033 65.537 -13.6773 -86.435 PRESSAVG: 41400 23.1842 -13.9431 -8.99154 -13.943 -22.215 0.752255 -8.99154 0.752263 -48.3598 GPRESSAVG: 41400 23.5825 -13.6482 -9.95786 -12.6354 -21.6736 3.72707 -8.64307 -0.391881 -49.2239 TIMING: 41400 CPU: 119.895, 0.00287264/step Wall: 119.895, 0.00287264/step, 3.95675 hours remaining, 199.800781 MB of memory in use. ENERGY: 41400 797.3513 2070.3943 1942.8551 119.6471 -206275.6404 17825.7640 0.0000 0.0000 34076.1272 -149443.5014 297.5953 -183519.6287 -149346.0081 298.7494 -84.5665 -53.0372 556862.1469 -15.7969 -15.7717 PRESSURE: 41600 21.5259 55.9861 154.866 55.9866 184.606 -229.592 154.867 -229.592 32.132 GPRESSURE: 41600 16.0243 30.9519 74.6566 108.948 260.622 -116.201 137.181 -85.3186 61.4937 PRESSAVG: 41600 44.4859 4.37484 -24.0601 4.37481 -12.3536 -20.0359 -24.06 -20.036 -34.7416 GPRESSAVG: 41600 43.5788 2.46569 -23.9652 4.52794 -11.4447 -23.3734 -22.7858 -18.1955 -34.6959 TIMING: 41600 CPU: 120.47, 0.0028758/step Wall: 120.47, 0.0028758/step, 3.96093 hours remaining, 199.851562 MB of memory in use. ENERGY: 41600 706.5501 2063.0099 1967.9698 93.4745 -206329.2920 17870.3973 0.0000 0.0000 34117.6223 -149510.2680 297.9577 -183627.8903 -149413.6059 298.6866 79.4213 112.7132 556469.3938 -0.8698 -0.8539 PRESSURE: 41800 -143.597 37.0314 1.54363 37.0314 -0.950347 118.168 1.5433 118.166 -212.346 GPRESSURE: 41800 -157.099 -30.7892 107.036 52.6 23.7748 153.207 43.4965 101.853 -131.607 PRESSAVG: 41800 -30.48 18.4875 42.4745 18.4875 8.37381 -22.8773 42.4744 -22.8773 10.5307 GPRESSAVG: 41800 -30.5965 23.102 42.8284 15.4798 7.47184 -20.1839 42.5428 -23.9944 11.621 TIMING: 41800 CPU: 121.049, 0.002896/step Wall: 121.049, 0.00289599/step, 3.98859 hours remaining, 199.851562 MB of memory in use. ENERGY: 41800 767.7467 2074.0027 2003.2709 111.9816 -206203.0631 17795.0921 0.0000 0.0000 34018.8178 -149432.1514 297.0948 -183450.9691 -149329.6497 298.6930 -118.9645 -88.3104 558149.8777 -3.8585 -3.8346 PRESSURE: 42000 -96.3207 -23.7654 -127.653 -23.7656 -207.099 -10.7329 -127.653 -10.7333 -70.9752 GPRESSURE: 42000 -131.795 -25.2159 -191.156 -79.0082 -124.161 -4.35535 -106.216 -31.8465 -20.6468 PRESSAVG: 42000 3.17423 -23.3781 -14.2291 -23.3781 -7.40395 13.3223 -14.2291 13.3223 4.82705 GPRESSAVG: 42000 2.6965 -26.643 -13.4824 -22.5463 -7.51591 10.6996 -15.816 14.7405 5.24852 TIMING: 42000 CPU: 121.629, 0.00289745/step Wall: 121.629, 0.00289745/step, 3.99043 hours remaining, 199.851562 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: 42000 745.5246 2105.5014 1974.7079 126.7245 -206241.1915 17611.7392 0.0000 0.0000 34092.2181 -149584.7758 297.7358 -183676.9939 -149486.4540 298.1724 -124.7982 -92.2007 557045.6361 0.1991 0.1430 PRESSURE: 42200 118.784 -83.2249 -42.3169 -83.2255 -33.9466 -36.6827 -42.3172 -36.6844 -218.853 GPRESSURE: 42200 98.831 -44.3347 -164.329 -15.6621 21.2422 -63.296 -47.5728 36.5268 -158.839 PRESSAVG: 42200 28.7357 -74.1331 1.05243 -74.1332 -36.9608 -56.1054 1.05242 -56.1055 46.0636 GPRESSAVG: 42200 30.0169 -73.132 -0.10523 -73.0336 -36.5965 -53.6656 3.62176 -57.794 44.7879 TIMING: 42200 CPU: 122.209, 0.00290294/step Wall: 122.209, 0.00290294/step, 3.99783 hours remaining, 199.851562 MB of memory in use. ENERGY: 42200 732.8772 2091.8780 1979.7126 102.4080 -206489.9027 17829.1459 0.0000 0.0000 34031.2018 -149722.6792 297.2029 -183753.8810 -149624.6754 297.4775 -44.6717 -12.9218 557529.0468 12.6128 12.7361 PRESSURE: 42400 159.514 -62.8924 7.71115 -62.8936 -2.2991 256.325 7.71011 256.326 -286.213 GPRESSURE: 42400 269.439 -88.3754 -48.2334 -57.4891 -60.4266 256.37 -8.32596 193.973 -247.325 PRESSAVG: 42400 50.3493 -24.1007 -47.6402 -24.1007 -26.4092 -60.4613 -47.6402 -60.4614 -47.5614 GPRESSAVG: 42400 50.9669 -21.7159 -47.2212 -26.2463 -27.8855 -60.5219 -49.5832 -61.8309 -46.6234 TIMING: 42400 CPU: 122.786, 0.00288336/step Wall: 122.786, 0.00288336/step, 3.97071 hours remaining, 199.851562 MB of memory in use. ENERGY: 42400 731.3328 2129.1353 1974.0228 127.7018 -206942.5222 17834.1905 0.0000 0.0000 34202.6960 -149943.4430 298.7007 -184146.1390 -149847.8058 297.7042 -42.9993 -12.7711 557297.1990 -7.8737 -7.8473 PRESSURE: 42600 34.2516 97.697 -88.8436 97.6965 216.431 -163.588 -88.8444 -163.588 61.5125 GPRESSURE: 42600 66.7485 70.872 -27.0385 40.0845 257.164 -264.135 -146.709 -199.553 78.4363 PRESSAVG: 42600 10.7865 -16.0562 -46.8589 -16.0562 10.7285 35.4097 -46.8589 35.4096 -8.71924 GPRESSAVG: 42600 9.57055 -19.2741 -47.6093 -15.5848 11.7109 34.5527 -45.6395 36.2001 -9.17719 TIMING: 42600 CPU: 123.36, 0.00286935/step Wall: 123.36, 0.00286935/step, 3.95126 hours remaining, 199.851562 MB of memory in use. ENERGY: 42600 734.3089 2102.3417 1998.6067 101.3792 -206959.4895 18095.5260 0.0000 0.0000 33966.4276 -149960.8995 296.6373 -183927.3270 -149863.4530 297.4569 104.0650 134.1164 556887.1257 4.2652 4.0347 PRESSURE: 42800 111.363 113.932 -52.9753 113.933 45.0844 -34.9451 -52.9752 -34.9452 -28.3309 GPRESSURE: 42800 196.781 101.369 -50.7524 200.71 93.2047 -71.4193 -37.1587 -65.642 -55.7882 PRESSAVG: 42800 0.825626 -6.17183 -55.9044 -6.17183 -34.4551 -28.4016 -55.9043 -28.4015 38.9899 GPRESSAVG: 42800 0.29407 -4.38315 -55.1515 -6.0174 -34.724 -27.9163 -56.3688 -29.4456 39.2492 TIMING: 42800 CPU: 123.93, 0.00284939/step Wall: 123.93, 0.00284939/step, 3.92362 hours remaining, 199.851562 MB of memory in use. ENERGY: 42800 704.3478 2076.0577 1966.9486 125.4030 -206747.2512 17944.7402 0.0000 0.0000 34150.3999 -149779.3541 298.2439 -183929.7540 -149681.5190 297.5075 42.7054 78.0658 557728.9289 1.7868 1.6064 PRESSURE: 43000 -5.18145 -212.635 -44.8337 -212.634 136.188 -19.2752 -44.834 -19.2742 17.5921 GPRESSURE: 43000 -10.1265 -283.346 1.09916 -167.111 200.723 76.66 -78.6512 -9.82482 51.6741 PRESSAVG: 43000 11.2625 11.4734 -45.5588 11.4734 -23.4032 -54.8594 -45.5589 -54.8594 48.2545 GPRESSAVG: 43000 11.0991 11.4008 -45.3093 10.8956 -22.9091 -54.9584 -46.3432 -53.4445 48.2039 TIMING: 43000 CPU: 124.503, 0.00286568/step Wall: 124.503, 0.00286568/step, 3.94588 hours remaining, 199.851562 MB of memory in use. ENERGY: 43000 770.8179 2055.8449 1960.7218 114.0608 -206811.5090 17982.3119 0.0000 0.0000 34280.2048 -149647.5468 299.3776 -183927.7516 -149544.1966 298.0425 49.5329 80.7568 557030.4804 12.0379 12.1313 PRESSURE: 43200 128.776 -78.7879 0.951067 -78.7875 255.992 -98.615 0.952254 -98.6176 154.097 GPRESSURE: 43200 146.386 -8.22218 -18.5385 -85.0728 288.611 -117.02 -12.1553 -118.143 197.611 PRESSAVG: 43200 33.5588 -37.0615 -22.066 -37.0615 -60.1879 -42.2751 -22.0659 -42.2751 27.7535 GPRESSAVG: 43200 33.375 -36.1679 -21.6675 -36.0753 -59.4026 -41.978 -21.9925 -43.12 26.0123 TIMING: 43200 CPU: 125.079, 0.00288016/step Wall: 125.079, 0.00288016/step, 3.96565 hours remaining, 199.851562 MB of memory in use. ENERGY: 43200 724.2584 2088.3770 1954.5774 113.2082 -206579.6768 17890.7759 0.0000 0.0000 34034.9843 -149773.4957 297.2360 -183808.4800 -149678.9329 298.1437 179.6215 210.8694 555054.9420 0.3748 -0.0051 PRESSURE: 43400 -306.94 -127.557 129.473 -127.557 -118.153 -9.08889 129.472 -9.0865 -12.4376 GPRESSURE: 43400 -271.019 -121.831 224.207 -87.6332 -4.54233 100.408 117.122 -99.7198 -49.1616 PRESSAVG: 43400 50.2919 -29.3435 -21.4248 -29.3435 -55.7319 -27.6069 -21.4248 -27.6069 63.1997 GPRESSAVG: 43400 50.0407 -30.6751 -20.1309 -28.9169 -56.0433 -28.3487 -21.4306 -28.213 63.9123 TIMING: 43400 CPU: 125.66, 0.00290626/step Wall: 125.66, 0.00290626/step, 4.00143 hours remaining, 199.851562 MB of memory in use. ENERGY: 43400 776.5446 2066.5441 1930.9737 103.8596 -206297.6521 17510.5190 0.0000 0.0000 34236.2922 -149672.9189 298.9941 -183909.2111 -149581.4582 297.6490 -145.8438 -108.2408 555705.5877 19.2532 19.3032 PRESSURE: 43600 1.73247 -112.612 -129.716 -112.611 184.475 -117.366 -129.715 -117.364 -60.0169 GPRESSURE: 43600 16.2562 -157.546 -142.547 -36.8251 183.136 -173.327 -135.312 -41.2951 20.4503 PRESSAVG: 43600 10.5807 -41.9067 34.2886 -41.9067 -70.748 -12.2445 34.2886 -12.2445 15.7021 GPRESSAVG: 43600 9.62562 -40.9337 34.3886 -41.6443 -70.1101 -12.3189 33.3301 -11.2513 15.7977 TIMING: 43600 CPU: 126.238, 0.0028881/step Wall: 126.238, 0.0028881/step, 3.97627 hours remaining, 199.851562 MB of memory in use. ENERGY: 43600 728.8157 2098.8222 1951.8595 109.2651 -206405.5607 17686.5146 0.0000 0.0000 34102.9943 -149727.2893 297.8299 -183830.2837 -149635.0664 298.4387 42.0634 73.2810 555407.1814 -14.8217 -14.8956 PRESSURE: 43800 -49.2406 34.3812 50.5752 34.3806 -85.228 -10.9933 50.5756 -10.9922 75.6679 GPRESSURE: 43800 28.3132 19.5335 79.174 62.7527 -54.3384 -66.4744 33.413 -12.8975 76.8586 PRESSAVG: 43800 -50.255 14.537 22.5459 14.5371 60.2744 24.9474 22.546 24.9474 6.46002 GPRESSAVG: 43800 -49.2569 13.5475 22.2974 15.1624 59.684 23.4024 23.673 26.9463 6.36044 TIMING: 43800 CPU: 126.811, 0.00286425/step Wall: 126.811, 0.00286425/step, 3.94328 hours remaining, 199.914062 MB of memory in use. ENERGY: 43800 734.7941 2136.6661 1997.7805 101.9206 -206552.2243 17872.6616 0.0000 0.0000 34126.6108 -149581.7905 298.0362 -183708.4013 -149485.5418 297.8565 -19.6003 16.9444 557060.8052 5.4931 5.5959 PRESSURE: 44000 -25.4635 -25.664 -102.479 -25.6645 -17.82 -114.755 -102.479 -114.755 24.9712 GPRESSURE: 44000 -9.30347 113 -110.746 -79.6933 39.1424 -193.079 -73.8049 -148.807 59.3224 PRESSAVG: 44000 -12.3102 -34.5208 28.6027 -34.5209 2.90182 -78.1377 28.6027 -78.1377 30.2133 GPRESSAVG: 44000 -11.7907 -33.3974 26.7256 -35.3784 1.82036 -78.1572 27.6244 -78.1967 30.7292 TIMING: 44000 CPU: 127.387, 0.00288074/step Wall: 127.387, 0.00288074/step, 3.96581 hours remaining, 199.914062 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: 44000 768.1306 2116.2557 1975.1682 112.1665 -206303.5437 17707.9448 0.0000 0.0000 34118.3251 -149505.5528 297.9638 -183623.8779 -149403.4723 298.1183 -6.1041 29.7204 556680.6833 6.9350 6.9196 PRESSURE: 44200 -273.583 -59.7621 -24.1732 -59.7624 -15.0949 -162.702 -24.1735 -162.703 86.0799 GPRESSURE: 44200 -303.208 14.5641 -17.2729 -111.611 -3.25108 -166.784 -7.36668 -136.696 208.105 PRESSAVG: 44200 -24.0317 -56.5259 -8.86149 -56.526 0.259528 -60.7058 -8.86155 -60.706 -27.1388 GPRESSAVG: 44200 -24.2093 -56.6957 -7.21186 -56.1928 1.50267 -60.8229 -9.83581 -61.416 -27.6628 TIMING: 44200 CPU: 127.963, 0.00287885/step Wall: 127.963, 0.00287885/step, 3.96306 hours remaining, 199.914062 MB of memory in use. ENERGY: 44200 767.4641 2087.6229 1970.9422 124.7821 -206138.5496 17763.3967 0.0000 0.0000 34136.2832 -149288.0584 298.1207 -183424.3415 -149191.7953 299.0734 -67.5326 -32.7845 558424.2991 -16.9703 -16.7898 LDB: ============= START OF LOAD BALANCING ============== 131.346 LDB: ============== END OF LOAD BALANCING =============== 131.347 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 131.348 LDB: ============= START OF LOAD BALANCING ============== 131.636 LDB: Largest compute 4820 load 0.023804 is 20.2% of average load 0.117849 LDB: Average compute 0.001703 is 1.4% of average load 0.117849 LDB: TIME 131.638 LOAD: AVG 0.117849 MAX 0.178494 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.066 MB LDB: TIME 131.639 LOAD: AVG 0.117849 MAX 0.178493 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.27 MB LDB: TIME 131.639 LOAD: AVG 0.117849 MAX 0.178493 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.27 MB LDB: ============== END OF LOAD BALANCING =============== 131.641 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 131.645 Info: useSync: 0 useProxySync: 0 PRESSURE: 44400 -39.648 -102.687 49.9262 -102.687 -88.5283 53.6269 49.9259 53.6266 -95.9645 GPRESSURE: 44400 0.713377 -183.922 40.303 -113.948 -120.8 65.365 48.8521 66.6534 -4.71849 PRESSAVG: 44400 -30.795 -57.5615 -47.7076 -57.5614 18.8859 6.35801 -47.7075 6.35789 -14.4049 GPRESSAVG: 44400 -31.1034 -59.312 -48.0011 -57.874 18.675 6.8952 -45.5715 4.82149 -13.6124 TIMING: 44400 CPU: 128.549, 0.0029311/step Wall: 128.549, 0.0029311/step, 4.03482 hours remaining, 199.554688 MB of memory in use. ENERGY: 44400 729.7541 2047.8629 1949.9951 102.9114 -206247.1772 17731.3631 0.0000 0.0000 34431.7302 -149253.5605 300.7009 -183685.2906 -149157.6190 298.6409 -74.7136 -41.6017 559442.6923 -8.7713 -8.6803 PRESSURE: 44600 -163.161 32.3852 -194.636 32.3843 23.9361 170.562 -194.636 170.561 -40.3598 GPRESSURE: 44600 -96.8685 29.5215 -194.151 11.5373 14.3689 88.9089 -146.767 214.967 2.38466 PRESSAVG: 44600 2.60206 -35.5325 -61.3966 -35.5325 26.133 49.506 -61.3966 49.5061 -1.56685 GPRESSAVG: 44600 3.46225 -33.8839 -61.6061 -35.7932 25.6044 49.3524 -61.2104 51.4642 -1.37911 TIMING: 44600 CPU: 129.124, 0.00287428/step Wall: 129.124, 0.00287428/step, 3.95645 hours remaining, 199.554688 MB of memory in use. ENERGY: 44600 751.6186 2008.2847 1969.1995 105.4620 -206398.0509 18007.2540 0.0000 0.0000 34457.9377 -149098.2943 300.9297 -183556.2320 -148996.1077 299.8319 -59.8615 -26.7050 558220.3834 9.0561 9.2292 PRESSURE: 44800 -2.53522 159.285 -144.14 159.287 -53.2076 115.566 -144.139 115.565 126.652 GPRESSURE: 44800 31.2965 113.038 -96.2169 177.724 35.0308 154.123 -185.18 158.165 102.569 PRESSAVG: 44800 -8.59566 34.0375 -29.3443 34.0375 10.8719 16.9736 -29.3442 16.9736 -14.6388 GPRESSAVG: 44800 -9.10413 34.6961 -29.6262 33.2121 11.5034 16.5795 -29.2131 17.2974 -14.9226 TIMING: 44800 CPU: 129.698, 0.0028719/step Wall: 129.698, 0.0028719/step, 3.95301 hours remaining, 199.554688 MB of memory in use. ENERGY: 44800 759.6500 2092.2813 1951.2527 115.1212 -206166.9594 17854.8116 0.0000 0.0000 34249.5797 -149144.2630 299.1101 -183393.8426 -149053.7261 299.9179 23.6364 56.2987 556950.5056 -4.1209 -4.1744 PRESSURE: 45000 -289.044 -55.4848 190.672 -55.4836 -267.844 57.3374 190.672 57.3367 -337.917 GPRESSURE: 45000 -232.264 -89.3442 145.756 -22.333 -235.621 89.4956 107.704 75.9156 -329.001 PRESSAVG: 45000 15.0251 -14.2455 -38.9728 -14.2455 -3.67394 -9.37293 -38.9728 -9.37298 -62.3539 GPRESSAVG: 45000 15.6588 -16.5291 -39.7575 -13.1937 -4.18681 -8.07945 -38.8594 -11.1083 -62.709 TIMING: 45000 CPU: 130.274, 0.00287937/step Wall: 130.274, 0.00287937/step, 3.96313 hours remaining, 199.554688 MB of memory in use. ENERGY: 45000 764.3576 2108.1380 1952.3068 106.1788 -206063.5530 17444.7891 0.0000 0.0000 34410.5577 -149277.2250 300.5160 -183687.7827 -149185.0137 298.8403 -298.2681 -265.6287 558311.0329 -17.0009 -17.0790 PRESSURE: 45200 -60.1558 -49.5391 54.1711 -49.5386 -263.646 40.5021 54.1703 40.5033 -333.245 GPRESSURE: 45200 -30.506 -60.5446 -61.3619 -44.0052 -196.406 18.4195 -5.58472 43.542 -339.988 PRESSAVG: 45200 -12.2315 -41.9488 25.4595 -41.9488 55.7757 32.8393 25.4594 32.8394 -48.7844 GPRESSAVG: 45200 -12.2249 -43.3986 25.2719 -39.2419 56.3541 34.6521 25.1394 33.0378 -48.9911 TIMING: 45200 CPU: 130.849, 0.00287622/step Wall: 130.849, 0.00287622/step, 3.95864 hours remaining, 199.554688 MB of memory in use. ENERGY: 45200 742.8959 2074.3275 1954.9832 112.7757 -206227.7370 17655.2906 0.0000 0.0000 34328.2210 -149359.2431 299.7969 -183687.4641 -149263.0814 299.2495 -219.0156 -188.9666 558617.4363 -1.7467 -1.6206 PRESSURE: 45400 -137.83 -31.8912 -54.4001 -31.8911 -255.757 100.901 -54.401 100.901 -73.889 GPRESSURE: 45400 -115.882 8.24117 -74.3007 -98.6787 -230.522 55.5417 3.94507 18.2019 -17.5857 PRESSAVG: 45400 -14.4682 -30.5748 -51.7357 -30.5749 -5.44657 12.6001 -51.7357 12.6 29.7561 GPRESSAVG: 45400 -14.8269 -27.5412 -48.0472 -32.2622 -6.10914 13.1171 -52.1129 11.0285 30.4705 TIMING: 45400 CPU: 131.425, 0.00287741/step Wall: 131.425, 0.00287741/step, 3.96011 hours remaining, 199.554688 MB of memory in use. ENERGY: 45400 753.5664 2092.8489 1985.5046 113.6471 -206361.0059 17527.4503 0.0000 0.0000 34545.3230 -149342.6656 301.6929 -183887.9886 -149248.8708 299.6998 -155.8253 -121.3298 556536.9562 3.2805 3.1782 PRESSURE: 45600 -175.013 -20.9488 77.8423 -20.948 -87.2699 -3.07631 77.8432 -3.07618 128.693 GPRESSURE: 45600 -58.3707 10.8957 96.3753 -24.2234 -57.3975 -151.566 119.983 138.665 76.2243 PRESSAVG: 45600 -15.7363 -3.76065 23.329 -3.76061 -12.8437 -6.55831 23.3289 -6.55834 4.27897 GPRESSAVG: 45600 -14.9498 -4.81454 21.8775 -4.67543 -13.6094 -6.89966 22.0175 -6.63646 4.62296 TIMING: 45600 CPU: 132, 0.00287833/step Wall: 132, 0.00287833/step, 3.96122 hours remaining, 199.554688 MB of memory in use. ENERGY: 45600 753.2437 2095.1652 1982.0945 120.0691 -206213.6438 17848.7351 0.0000 0.0000 34098.8262 -149315.5099 297.7935 -183414.3361 -149218.3235 299.6596 -44.5302 -13.1813 556602.6159 -8.1004 -7.9788 PRESSURE: 45800 -249.525 24.9038 15.3774 24.9042 6.27159 92.8445 15.3773 92.846 -8.94649 GPRESSURE: 45800 -242.474 13.1624 1.70837 13.8148 48.7788 67.2937 -38.6358 73.4963 33.2152 PRESSAVG: 45800 43.9889 18.2784 -29.1515 18.2783 -30.4239 5.07258 -29.1514 5.07258 -53.2807 GPRESSAVG: 45800 43.2486 18.9731 -28.5681 19.7302 -29.7812 5.16649 -28.2744 3.67496 -53.6951 TIMING: 45800 CPU: 132.58, 0.00289641/step Wall: 132.58, 0.00289641/step, 3.98594 hours remaining, 199.554688 MB of memory in use. ENERGY: 45800 721.9177 2106.7614 1957.5025 101.1375 -206095.9102 17605.7456 0.0000 0.0000 34226.3605 -149376.4851 298.9073 -183602.8456 -149281.3827 299.0115 -84.0665 -53.4932 557053.3144 -13.2386 -13.4092 PRESSURE: 46000 -342.347 -51.9906 2.9281 -51.992 118.819 -26.5267 2.92807 -26.5267 -76.5311 GPRESSURE: 46000 -276.302 -107.086 40.2816 16.2716 73.6661 -29.4951 49.3072 -32.0247 -5.8725 PRESSAVG: 46000 -52.6029 16.5353 -22.3749 16.5353 37.0347 -30.8012 -22.3749 -30.8012 -33.1702 GPRESSAVG: 46000 -52.4091 14.9552 -24.9008 16.8813 36.575 -32.7829 -20.5228 -29.6583 -32.8364 TIMING: 46000 CPU: 133.154, 0.00287238/step Wall: 133.154, 0.00287238/step, 3.95271 hours remaining, 199.554688 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: 46000 712.7044 2103.0273 1934.4682 112.9434 -205935.4210 17485.8884 0.0000 0.0000 34394.9125 -149191.4768 300.3793 -183586.3892 -149094.5689 298.9418 -100.0196 -69.5028 557394.8748 -16.2461 -16.2235 PRESSURE: 46200 -202.671 -0.890034 49.3906 -0.889906 -182.648 -18.0281 49.3904 -18.0278 -240.409 GPRESSURE: 46200 -180.189 53.839 -4.04965 -28.2299 -181.271 9.34512 -18.0492 -4.87878 -156.38 PRESSAVG: 46200 -80.8335 -3.49525 33.2368 -3.49519 -11.0094 -45.6184 33.2368 -45.6182 45.6559 GPRESSAVG: 46200 -80.6959 -0.277645 35.3229 -5.63773 -9.25229 -46.8733 30.0193 -45.6703 43.6812 TIMING: 46200 CPU: 133.732, 0.00288836/step Wall: 133.732, 0.00288836/step, 3.97454 hours remaining, 199.554688 MB of memory in use. ENERGY: 46200 762.1964 2124.8540 1959.0590 115.8021 -205711.2954 17387.1278 0.0000 0.0000 34359.7052 -149002.5507 300.0719 -183362.2560 -148912.0525 300.1344 -208.5759 -172.6133 558372.9308 -15.3957 -15.4223 PRESSURE: 46400 45.591 -8.40116 -73.3065 -8.40244 97.634 37.9458 -73.307 37.9447 3.80136 GPRESSURE: 46400 126.037 4.83993 -32.4493 13.8986 143.585 26.4193 -78.4897 -28.7037 -13.8387 PRESSAVG: 46400 6.64496 41.1912 -6.17572 41.1912 -73.0073 24.8697 -6.17577 24.8697 98.6788 GPRESSAVG: 46400 6.41734 40.1057 -8.1425 43.4993 -74.6856 25.0035 -4.97788 25.0178 100.145 TIMING: 46400 CPU: 134.31, 0.00288883/step Wall: 134.31, 0.00288883/step, 3.97503 hours remaining, 199.554688 MB of memory in use. ENERGY: 46400 763.5145 2121.4933 1945.5832 125.5602 -206001.3241 17765.7907 0.0000 0.0000 34394.3797 -148885.0025 300.3747 -183279.3822 -148791.2861 300.2255 49.0088 85.2610 556638.0615 10.7722 10.6255 PRESSURE: 46600 213.255 -116.51 82.1211 -116.51 -272.504 17.3487 82.1206 17.3491 -25.2617 GPRESSURE: 46600 169.984 -96.2458 91.0434 -66.3505 -203.305 -33.2364 126.603 -40.5046 36.5055 PRESSAVG: 46600 16.5878 15.4056 35.4587 15.4054 34.6344 -18.354 35.4588 -18.3541 -28.3237 GPRESSAVG: 46600 16.8976 14.1362 38.8692 14.9208 33.2984 -17.9885 33.4663 -17.9769 -27.6145 TIMING: 46600 CPU: 134.888, 0.002892/step Wall: 134.888, 0.002892/step, 3.97923 hours remaining, 199.554688 MB of memory in use. ENERGY: 46600 775.8331 2105.0926 1977.9783 123.1568 -206051.2407 17706.9418 0.0000 0.0000 34407.9202 -148954.3177 300.4929 -183362.2379 -148859.3171 300.5011 -28.1704 1.0615 556979.4948 7.6328 7.5271 PRESSURE: 46800 -49.4563 55.4463 96.7259 55.4465 114.722 22.3194 96.7262 22.3192 23.0836 GPRESSURE: 46800 -65.3852 111.916 197.084 16.8033 190.367 58.4377 101.359 6.12803 62.3293 PRESSAVG: 46800 -6.06218 46.7475 -10.035 46.7475 8.31078 -3.28382 -10.0349 -3.28384 -20.6646 GPRESSAVG: 46800 -6.21339 48.6807 -15.1045 46.3217 9.43825 -3.40995 -5.99554 -3.78536 -21.9032 TIMING: 46800 CPU: 135.468, 0.00290224/step Wall: 135.468, 0.00290224/step, 3.99316 hours remaining, 199.554688 MB of memory in use. ENERGY: 46800 736.9721 2137.2589 1964.1442 119.6723 -206035.5688 17685.6855 0.0000 0.0000 34463.1924 -148928.6432 300.9756 -183391.8356 -148826.6418 300.9221 29.4499 62.4371 556546.2914 -6.1387 -6.2261 PRESSURE: 47000 94.6095 -39.2195 209.104 -39.2188 422.78 -78.7178 209.103 -78.7164 34.1656 GPRESSURE: 47000 163.895 15.3873 134.177 38.086 434.481 40.4675 224.967 -129.682 50.883 PRESSAVG: 47000 -40.4938 -43.8995 59.0814 -43.8995 -16.2336 48.5804 59.0814 48.5804 36.9643 GPRESSAVG: 47000 -40.9997 -43.9221 61.3551 -44.675 -14.8173 47.7208 56.749 50.5928 36.6216 TIMING: 47000 CPU: 136.05, 0.00291014/step Wall: 136.05, 0.00291014/step, 4.00387 hours remaining, 199.554688 MB of memory in use. ENERGY: 47000 725.2875 2146.2784 1944.6114 119.0155 -206074.1802 17852.1143 0.0000 0.0000 34366.8304 -148920.0427 300.1341 -183286.8732 -148817.2510 301.1050 183.8516 216.4197 555528.8482 -6.5877 -6.3984 PRESSURE: 47200 -158.707 -52.2941 -34.6543 -52.2936 196.897 -80.1683 -34.6541 -80.1679 157.054 GPRESSURE: 47200 -75.8415 -40.3969 -65.57 -90.5297 184.521 -36.8839 -37.7009 5.5085 194.264 PRESSAVG: 47200 -96.3121 22.1031 8.20794 22.103 58.1603 -13.7336 8.20797 -13.7335 79.3172 GPRESSAVG: 47200 -94.7035 19.0199 10.5474 23.3844 56.3508 -12.2187 8.65037 -14.4699 79.5392 TIMING: 47200 CPU: 136.629, 0.00289508/step Wall: 136.629, 0.00289508/step, 3.98299 hours remaining, 199.554688 MB of memory in use. ENERGY: 47200 717.2637 2100.8268 1960.8217 116.6284 -205918.5091 17690.7141 0.0000 0.0000 34479.0097 -148853.2447 301.1138 -183332.2543 -148762.8322 300.6315 65.0810 100.9812 557262.0469 13.7218 13.7288 PRESSURE: 47400 50.9946 -79.1877 176.654 -79.1893 -223.42 58.7826 176.654 58.7841 -10.6834 GPRESSURE: 47400 6.46283 -145.251 163.693 -25.4418 -196.272 54.1942 148.617 67.0596 105.745 PRESSAVG: 47400 -45.4612 18.3724 -13.4938 18.3723 82.4394 -10.2964 -13.4938 -10.2964 4.85936 GPRESSAVG: 47400 -45.6203 19.588 -15.3197 18.7312 82.5062 -11.0104 -13.2213 -10.5997 5.32054 TIMING: 47400 CPU: 137.205, 0.00287818/step Wall: 137.205, 0.00287818/step, 3.95957 hours remaining, 199.554688 MB of memory in use. ENERGY: 47400 753.3545 2103.5640 1978.7081 108.9002 -206051.9465 17673.7002 0.0000 0.0000 34451.3458 -148982.3738 300.8722 -183433.7195 -148886.8928 301.2440 -61.0364 -28.0212 559012.9195 13.9459 14.0688 PRESSURE: 47600 -135.756 -38.328 -146.411 -38.328 97.6608 -78.8053 -146.411 -78.8055 -20.5458 GPRESSURE: 47600 -106.029 -71.2691 -78.2414 -78.9867 151.636 -219.904 -206.624 -28.7725 -18.2486 PRESSAVG: 47600 -75.3784 -7.76975 -13.4093 -7.76978 14.3437 -46.0663 -13.4092 -46.0664 27.1916 GPRESSAVG: 47600 -75.6286 -7.93865 -13.1329 -8.90721 15.3079 -45.495 -14.464 -45.174 26.357 TIMING: 47600 CPU: 137.782, 0.00288405/step Wall: 137.782, 0.00288405/step, 3.96749 hours remaining, 199.554688 MB of memory in use. ENERGY: 47600 761.2347 2069.2661 1955.2940 119.6329 -205865.0846 17701.1391 0.0000 0.0000 34258.6360 -148999.8818 299.1892 -183258.5178 -148896.3744 300.3894 -19.5472 9.1196 558055.4263 -11.2811 -11.3212 PRESSURE: 47800 222.963 29.1744 -77.864 29.175 35.7154 -8.74315 -77.8639 -8.74385 23.9363 GPRESSURE: 47800 279.46 27.1764 -67.5797 65.7199 106.307 -56.4874 -70.3429 16.8829 -8.74449 PRESSAVG: 47800 -31.4837 -32.3781 -8.133 -32.3781 37.0328 11.4354 -8.13305 11.4355 -2.00876 GPRESSAVG: 47800 -31.6402 -32.3272 -7.98427 -31.797 36.1796 10.1847 -8.55843 9.83303 -0.429987 TIMING: 47800 CPU: 138.354, 0.00286141/step Wall: 138.354, 0.00286141/step, 3.93619 hours remaining, 199.554688 MB of memory in use. ENERGY: 47800 735.7633 2106.3507 1943.2453 107.6435 -206313.2631 17913.0620 0.0000 0.0000 34443.3473 -149063.8510 300.8023 -183507.1983 -148963.2949 299.5755 94.2050 125.6743 556714.8455 1.1801 1.3698 PRESSURE: 48000 -107.013 21.8687 -182.416 21.8681 175.386 -83.3932 -182.415 -83.3928 151.859 GPRESSURE: 48000 -82.7945 -81.0577 -238.997 -11.4934 184.511 -52.1985 -121.536 -86.4256 204.038 PRESSAVG: 48000 -59.8516 -45.348 30.5512 -45.348 72.325 -26.3987 30.5513 -26.3986 -24.5125 GPRESSAVG: 48000 -59.8486 -43.6395 31.455 -47.9403 72.0236 -24.8423 30.7107 -25.222 -24.9782 TIMING: 48000 CPU: 138.931, 0.002883/step Wall: 138.931, 0.002883/step, 3.96572 hours remaining, 199.554688 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: 48000 693.1068 2075.6286 1958.7297 104.5457 -206107.0116 17849.8381 0.0000 0.0000 34357.2802 -149067.8825 300.0507 -183425.1627 -148968.2599 299.9602 73.4107 101.9181 558640.0851 -4.0130 -4.2677 PRESSURE: 48200 -215.468 -86.8352 111.228 -86.8348 -153.721 -14.6176 111.227 -14.6187 53.051 GPRESSURE: 48200 -193.75 -105.871 112.216 -4.06293 -77.6696 -57.4093 77.4384 -37.8584 66.3463 PRESSAVG: 48200 35.7105 -4.20891 -18.7805 -4.20888 -36.2801 -12.361 -18.7804 -12.361 9.2731 GPRESSAVG: 48200 35.8676 -6.71921 -21.1646 -1.18844 -36.7243 -12.0623 -17.3883 -14.2754 9.28904 TIMING: 48200 CPU: 139.509, 0.00289278/step Wall: 139.509, 0.00289278/step, 3.97902 hours remaining, 199.554688 MB of memory in use. ENERGY: 48200 736.1383 2069.6052 1959.9962 116.6175 -205790.4374 17567.6681 0.0000 0.0000 34338.3476 -149002.0645 299.8853 -183340.4122 -148905.1787 299.4486 -105.3794 -68.3578 557290.3658 2.9012 2.8108 LDB: ============= START OF LOAD BALANCING ============== 142.894 LDB: ============== END OF LOAD BALANCING =============== 142.894 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 142.896 LDB: ============= START OF LOAD BALANCING ============== 143.184 LDB: Largest compute 4820 load 0.022976 is 19.5% of average load 0.117771 LDB: Average compute 0.001708 is 1.5% of average load 0.117771 LDB: TIME 143.187 LOAD: AVG 0.117771 MAX 0.181579 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.398 MB LDB: TIME 143.187 LOAD: AVG 0.117771 MAX 0.181579 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.422 MB LDB: TIME 143.187 LOAD: AVG 0.117771 MAX 0.181579 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.422 MB LDB: ============== END OF LOAD BALANCING =============== 143.189 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 143.193 PRESSURE: 48400 85.8302 63.6537 -7.66412 63.6533 -105.382 -153.442 -7.6639 -153.443 -502.311 GPRESSURE: 48400 96.7429 -4.63771 -38.4488 61.4104 -56.2803 -207.632 22.7638 -146.025 -456.561 PRESSAVG: 48400 -15.0094 -35.2616 14.7378 -35.2614 32.7187 -76.1103 14.7379 -76.1104 6.08562 GPRESSAVG: 48400 -15.1646 -35.9283 15.9187 -35.4456 34.328 -78.6708 12.5671 -72.2964 4.49078 TIMING: 48400 CPU: 140.097, 0.00294021/step Wall: 140.097, 0.00294021/step, 4.0441 hours remaining, 198.574219 MB of memory in use. ENERGY: 48400 749.3206 2088.9654 1964.0235 121.0540 -206078.3656 17678.5911 0.0000 0.0000 34450.6079 -149025.8030 300.8657 -183476.4109 -148928.7307 300.2115 -173.9542 -138.6996 556503.9890 7.9316 7.8847 PRESSURE: 48600 -114.219 -184.783 -5.50072 -184.782 -310.14 50.3255 -5.49993 50.3271 72.6083 GPRESSURE: 48600 -100.529 -145.369 -19.9389 -215.804 -246.031 -28.9581 -4.79457 113.057 85.7951 PRESSAVG: 48600 -5.24765 -19.8486 -53.7646 -19.8486 -6.12795 -59.7975 -53.7646 -59.7976 -13.1464 GPRESSAVG: 48600 -5.85006 -18.7952 -53.1116 -20.196 -7.14112 -57.5706 -52.7422 -62.9402 -11.5992 TIMING: 48600 CPU: 140.673, 0.00287702/step Wall: 140.673, 0.00287702/step, 3.95702 hours remaining, 198.574219 MB of memory in use. ENERGY: 48600 726.4201 2085.9008 1974.5970 114.3482 -205851.1100 17590.2852 0.0000 0.0000 34345.3313 -149014.2274 299.9463 -183359.5586 -148922.9856 300.0668 -117.2501 -86.9218 557340.9234 -8.1740 -8.1968 PRESSURE: 48800 -92.7112 -49.7829 0.948952 -49.7816 -45.6043 -174.416 0.948683 -174.415 13.5987 GPRESSURE: 48800 -82.6905 -115.477 -38.3666 -22.8542 38.7011 -158.601 4.0442 -126.765 25.8121 PRESSAVG: 48800 0.55019 -21.1474 -22.1002 -21.1474 -60.8057 -25.1617 -22.1002 -25.1616 22.7113 GPRESSAVG: 48800 -0.0185403 -20.5206 -22.7388 -21.7857 -60.3883 -24.8002 -21.9537 -24.6095 22.7509 TIMING: 48800 CPU: 141.251, 0.00288947/step Wall: 141.251, 0.00288947/step, 3.97398 hours remaining, 198.574219 MB of memory in use. ENERGY: 48800 733.9480 2086.2597 1970.7945 112.7082 -205991.6206 17598.5203 0.0000 0.0000 34403.1504 -149086.2395 300.4513 -183489.3899 -148991.5339 299.7477 -41.5722 -6.0591 556069.4756 -12.5148 -12.5520 PRESSURE: 49000 -93.3975 94.0337 -135.747 94.035 -312.411 35.7299 -135.747 35.7305 -199.806 GPRESSURE: 49000 -81.4494 86.4726 -67.1702 81.2899 -308.775 -38.7986 -169.133 114.018 -115.648 PRESSAVG: 49000 19.7285 5.10886 11.9854 5.10881 -6.59469 -6.92833 11.9855 -6.92829 24.6912 GPRESSAVG: 49000 20.1531 6.15269 10.9019 5.69868 -6.78775 -8.02801 11.1749 -5.71904 24.2997 TIMING: 49000 CPU: 141.826, 0.00287601/step Wall: 141.826, 0.00287601/step, 3.95531 hours remaining, 198.574219 MB of memory in use. ENERGY: 49000 777.6134 2092.0658 1951.9207 115.3393 -205988.6768 17500.5512 0.0000 0.0000 34394.0606 -149157.1260 300.3719 -183551.1865 -149059.4230 299.2413 -201.8715 -168.6240 556763.7190 12.6083 12.5550 PRESSURE: 49200 71.7039 85.7252 62.629 85.7252 -354.194 -6.49506 62.6272 -6.4955 -171.596 GPRESSURE: 49200 112.836 136.007 36.9151 96.0582 -314.417 -33.6406 83.9092 50.5647 -169.469 PRESSAVG: 49200 2.44536 14.525 17.4417 14.5249 -68.1634 -10.1988 17.4417 -10.1989 35.3885 GPRESSAVG: 49200 1.89508 13.9946 18.7324 14.3808 -68.4765 -11.2755 18.2768 -9.96359 36.2022 TIMING: 49200 CPU: 142.401, 0.00287305/step Wall: 142.401, 0.00287305/step, 3.95109 hours remaining, 198.574219 MB of memory in use. ENERGY: 49200 741.2865 2109.2104 1969.2198 120.5701 -205959.7491 17656.6184 0.0000 0.0000 34142.1048 -149220.7390 298.1715 -183362.8437 -149125.8212 299.8624 -151.3620 -123.6831 557565.5682 -10.1099 -10.1264 PRESSURE: 49400 110.008 -4.96133 -46.4188 -4.96212 -29.3669 -52.2248 -46.4177 -52.2245 19.7494 GPRESSURE: 49400 131.876 9.55104 -111.557 -33.6308 33.2015 -32.6172 33.8388 -49.0293 35.9149 PRESSAVG: 49400 19.1056 35.6291 10.4184 35.6292 -44.6498 22.8854 10.4185 22.8853 23.4657 GPRESSAVG: 49400 19.119 36.8592 10.0805 35.6951 -43.5771 24.6304 11.4397 22.2065 22.7997 TIMING: 49400 CPU: 142.974, 0.00286764/step Wall: 142.974, 0.00286764/step, 3.94348 hours remaining, 198.574219 MB of memory in use. ENERGY: 49400 700.8759 2093.4328 1962.6808 132.7303 -206188.7729 17723.2128 0.0000 0.0000 34411.6671 -149164.1731 300.5256 -183575.8402 -149066.8033 299.8607 33.4635 66.9973 557064.6354 -0.6928 -0.5528 PRESSURE: 49600 -209.006 -136.315 -9.09087 -136.315 -85.8981 86.1979 -9.09074 86.1972 -87.0244 GPRESSURE: 49600 -115.946 -87.955 -39.6507 -116.238 -116.565 142.233 -69.7819 116.672 -38.4845 PRESSAVG: 49600 26.0428 10.5235 26.3054 10.5235 -41.5516 -10.589 26.3053 -10.589 39.6128 GPRESSAVG: 49600 26.6483 11.0071 25.5399 9.28996 -42.8586 -11.9124 24.9157 -10.983 39.8979 TIMING: 49600 CPU: 143.553, 0.00289668/step Wall: 143.553, 0.00289668/step, 3.98326 hours remaining, 198.574219 MB of memory in use. ENERGY: 49600 750.4380 2103.2270 1919.5181 124.2529 -206256.0424 17730.6964 0.0000 0.0000 34318.2843 -149309.6257 299.7101 -183627.9099 -149204.8139 299.7517 -127.3094 -90.3318 556111.2517 8.0347 7.8959 PRESSURE: 49800 -150.469 -129.176 101.675 -129.177 28.3945 95.2789 101.675 95.279 285.389 GPRESSURE: 49800 -122.218 -158.596 77.5879 -111.743 72.2815 46.0611 116.062 78.9743 310.314 PRESSAVG: 49800 -43.6353 -56.1461 28.092 -56.1461 -67.7893 -49.9651 28.0919 -49.9652 65.4943 GPRESSAVG: 49800 -44.0381 -59.2399 29.0115 -55.0373 -67.3231 -50.1632 26.6517 -51.1779 65.2196 TIMING: 49800 CPU: 144.13, 0.00288408/step Wall: 144.13, 0.00288408/step, 3.96578 hours remaining, 198.859375 MB of memory in use. ENERGY: 49800 769.6140 2102.7155 1946.4132 120.9773 -206514.8652 17933.8058 0.0000 0.0000 34292.3329 -149349.0065 299.4835 -183641.3394 -149249.9138 299.4374 54.4383 86.7925 555177.6641 -15.3101 -15.3805 PRESSURE: 50000 29.5275 -64.4692 -119.819 -64.471 103.407 -80.4854 -119.819 -80.4855 53.0699 GPRESSURE: 50000 55.1144 -146.097 -67.9511 -46.2494 131.623 10.5006 -156.713 -78.7819 93.1376 PRESSAVG: 50000 7.45386 -13.24 -5.45223 -13.24 -40.2677 -29.3137 -5.45219 -29.3138 -11.0974 GPRESSAVG: 50000 6.82023 -11.7202 -5.60627 -13.2666 -41.0266 -28.9647 -5.02399 -27.8038 -10.0443 TIMING: 50000 CPU: 144.707, 0.00288283/step Wall: 144.707, 0.00288283/step, 3.96389 hours remaining, 198.859375 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: 50000 726.3585 2141.5855 1945.1126 114.7672 -206346.5940 17934.2974 0.0000 0.0000 34227.1154 -149257.3575 298.9139 -183484.4729 -149155.6008 299.3857 62.0016 93.2916 556202.9626 -14.6371 -14.7502 PRESSURE: 50200 -74.0528 -74.2962 124.915 -74.297 -198.861 -25.2195 124.916 -25.2204 121.218 GPRESSURE: 50200 -25.0493 -55.4477 135.175 -8.94402 -126.191 -14.8747 191.443 25.4042 95.8666 PRESSAVG: 50200 -29.0179 14.9361 -16.1834 14.9361 49.0248 26.0579 -16.1834 26.0578 0.665564 GPRESSAVG: 50200 -28.7123 16.258 -15.9081 14.7356 49.5153 26.0912 -15.0666 25.0859 0.132129 TIMING: 50200 CPU: 145.285, 0.00289305/step Wall: 145.285, 0.00289305/step, 3.97778 hours remaining, 198.859375 MB of memory in use. ENERGY: 50200 747.2959 2114.3218 1928.3393 118.8916 -205903.9155 17688.9946 0.0000 0.0000 34014.4771 -149291.5952 297.0569 -183306.0723 -149191.2606 299.3316 -50.5651 -18.4579 558288.2821 6.8908 6.9784 PRESSURE: 50400 -75.6476 127.902 48.32 127.901 46.4083 26.476 48.318 26.4742 -205.276 GPRESSURE: 50400 -17.7506 230.459 -34.6406 117.618 66.8181 -7.96931 106.804 -3.98266 -188.836 PRESSAVG: 50400 -39.1803 29.1852 -16.0793 29.1852 -21.7429 11.2075 -16.0793 11.2074 23.794 GPRESSAVG: 50400 -39.8019 29.2573 -17.5163 27.9923 -21.5654 13.5945 -16.0473 11.3139 23.8676 TIMING: 50400 CPU: 145.861, 0.00287988/step Wall: 145.861, 0.00287988/step, 3.95952 hours remaining, 198.859375 MB of memory in use. ENERGY: 50400 740.9774 2032.3125 1954.7184 113.5109 -206080.3412 17749.2332 0.0000 0.0000 34283.4697 -149206.1192 299.4061 -183489.5888 -149106.3345 298.9534 -78.1718 -46.5895 557892.6522 -12.3764 -12.4999 PRESSURE: 50600 -505.159 17.3385 -77.381 17.3373 -98.2564 66.3234 -77.3806 66.3232 -265.76 GPRESSURE: 50600 -490.613 44.6464 -94.6905 -38.7489 -89.8364 82.4628 -50.8679 17.1424 -191.415 PRESSAVG: 50600 -44.3102 31.8938 28.5948 31.8938 111.441 3.15716 28.5948 3.15715 -18.8573 GPRESSAVG: 50600 -43.5902 32.1114 30.4318 32.8565 111.04 0.0275715 28.9071 3.5853 -19.1759 TIMING: 50600 CPU: 146.443, 0.0029086/step Wall: 146.443, 0.0029086/step, 3.99884 hours remaining, 198.859375 MB of memory in use. ENERGY: 50600 774.3307 2099.1090 1952.6879 118.8349 -205793.8252 17400.4331 0.0000 0.0000 34202.0798 -149246.3498 298.6953 -183448.4296 -149147.4190 299.3383 -289.7250 -257.2880 557612.7057 16.0913 16.0912 PRESSURE: 50800 32.8756 34.8675 60.7222 34.866 45.4276 -165.536 60.7217 -165.537 -227.105 GPRESSURE: 50800 86.8047 60.3362 41.1407 25.3192 34.0846 -133.08 49.4881 -164.481 -161.659 PRESSAVG: 50800 11.9968 -5.90662 27.2457 -5.90657 74.7548 -21.5929 27.2456 -21.593 -66.3806 GPRESSAVG: 50800 11.6285 -8.73181 27.5393 -4.08472 74.8934 -21.7318 25.5864 -22.2293 -66.1956 TIMING: 50800 CPU: 147.017, 0.00287087/step Wall: 147.017, 0.00287087/step, 3.94681 hours remaining, 198.859375 MB of memory in use. ENERGY: 50800 742.1902 2085.5460 1937.4740 118.4656 -206164.3491 17677.7644 0.0000 0.0000 34316.2253 -149286.6836 299.6921 -183602.9089 -149194.0799 299.4592 -49.6007 -13.5897 556898.4077 6.7903 6.7755 PRESSURE: 51000 115.736 -90.4335 80.0102 -90.4328 -486.17 62.6086 80.01 62.6074 -138.998 GPRESSURE: 51000 125.009 -72.6395 86.8961 -57.692 -469.079 3.25584 31.2023 88.9032 -78.5246 PRESSAVG: 51000 57.4948 -34.8037 -6.64103 -34.8036 -3.42858 3.08584 -6.64106 3.08583 -43.6928 GPRESSAVG: 51000 58.0997 -31.6777 -5.9629 -36.8563 -4.20874 2.46901 -6.62092 2.92302 -43.6484 TIMING: 51000 CPU: 147.592, 0.00287612/step Wall: 147.592, 0.00287612/step, 3.95386 hours remaining, 198.859375 MB of memory in use. ENERGY: 51000 741.6516 2042.2496 1938.1588 118.9743 -206268.1155 17692.8769 0.0000 0.0000 34448.9269 -149285.2774 300.8510 -183734.2043 -149189.1730 299.6963 -169.8108 -140.8649 558378.8848 3.4578 3.4142 PRESSURE: 51200 -122.769 159.371 18.2733 159.37 -89.8759 39.7122 18.2744 39.7112 -63.4663 GPRESSURE: 51200 -66.0043 186.157 -0.655047 104.065 -88.471 82.7073 -33.5244 80.5641 -25.0176 PRESSAVG: 51200 11.2384 29.703 7.05966 29.7031 -8.73543 24.3791 7.05961 24.3791 20.3571 GPRESSAVG: 51200 10.5131 26.4735 7.34721 30.43 -8.17134 24.9579 6.92247 26.1481 20.283 TIMING: 51200 CPU: 148.168, 0.00287914/step Wall: 148.168, 0.00287914/step, 3.95786 hours remaining, 198.859375 MB of memory in use. ENERGY: 51200 743.6465 2089.5477 1933.7534 113.1837 -206165.6296 17648.8470 0.0000 0.0000 34286.8651 -149349.7862 299.4357 -183636.6513 -149251.2321 299.1726 -92.0370 -59.8310 557816.8819 7.6200 7.5416 PRESSURE: 51400 -329.028 29.9076 24.0399 29.907 -155.49 -94.1492 24.0401 -94.149 -259.291 GPRESSURE: 51400 -332.496 43.0634 104.375 44.0571 -87.0996 -88.4988 -2.48375 -98.1522 -216.195 PRESSAVG: 51400 -14.9802 -9.73835 -10.6844 -9.73838 17.0733 -29.9405 -10.6843 -29.9404 17.5825 GPRESSAVG: 51400 -14.4962 -8.14331 -12.3574 -8.59903 17.5431 -30.4778 -9.61359 -30.1501 16.9821 TIMING: 51400 CPU: 148.745, 0.00288584/step Wall: 148.745, 0.00288584/step, 3.9669 hours remaining, 198.859375 MB of memory in use. ENERGY: 51400 731.9875 2143.5288 1948.4175 110.0296 -205950.6188 17315.0804 0.0000 0.0000 34412.8671 -149288.7079 300.5361 -183701.5750 -149183.6025 299.4611 -247.9367 -211.9301 557357.7981 6.5585 6.6763 PRESSURE: 51600 23.8114 -9.52991 -31.4854 -9.52948 154.665 -14.594 -31.4863 -14.5939 39.9462 GPRESSURE: 51600 83.6996 9.97127 -18.9086 -29.344 151.212 14.7003 14.1037 -3.40492 73.4276 PRESSAVG: 51600 -7.808 -40.2128 53.1555 -40.2127 -0.421617 38.5171 53.1555 38.5172 -2.15277 GPRESSAVG: 51600 -8.21137 -41.0051 52.4087 -41.0429 -1.54318 39.6976 53.4498 38.8384 -1.33495 TIMING: 51600 CPU: 149.322, 0.0028836/step Wall: 149.322, 0.0028836/step, 3.96367 hours remaining, 198.921875 MB of memory in use. ENERGY: 51600 733.3953 2142.6231 1916.7325 121.4961 -206213.5529 17778.8821 0.0000 0.0000 34337.8868 -149182.5369 299.8813 -183520.4237 -149086.2150 299.9979 72.8075 102.7796 556531.8092 -3.4608 -3.6965 PRESSURE: 51800 -20.5826 33.0835 -69.0516 33.0835 -286.552 -32.0431 -69.0519 -32.0428 -201.451 GPRESSURE: 51800 -8.85964 113.177 -8.31537 -47.7372 -239.061 -137.565 -133.51 -71.8222 -160.071 PRESSAVG: 51800 -13.4419 -21.6768 -51.8619 -21.6769 18.6012 13.8837 -51.8618 13.8836 4.3523 GPRESSAVG: 51800 -14.5101 -20.1192 -50.4729 -23.866 19.8626 15.3029 -52.0228 12.6257 3.87792 TIMING: 51800 CPU: 149.898, 0.00288075/step Wall: 149.898, 0.00288075/step, 3.95959 hours remaining, 198.921875 MB of memory in use. ENERGY: 51800 753.1344 2086.5238 1946.6749 106.0913 -205952.9558 17634.1489 0.0000 0.0000 34192.2437 -149234.1388 298.6094 -183426.3825 -149132.0532 299.6792 -169.5285 -135.9972 557082.3494 3.1705 3.0768 PRESSURE: 52000 -182.12 60.8241 -53.9221 60.8229 -175.334 -354.984 -53.9215 -354.984 -270.015 GPRESSURE: 52000 -162.971 15.0428 -150.445 104.629 -133.342 -311.808 7.18469 -338.525 -238.543 PRESSAVG: 52000 19.4403 28.2289 -95.6674 28.2289 9.06443 -56.7513 -95.6674 -56.7512 -9.68199 GPRESSAVG: 52000 19.4594 27.6764 -95.2332 31.0211 9.02158 -59.8403 -95.834 -55.1606 -9.94725 TIMING: 52000 CPU: 150.477, 0.00289378/step Wall: 150.477, 0.00289378/step, 3.97734 hours remaining, 198.921875 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: 52000 739.4379 2125.8646 1924.2692 114.2343 -205476.0474 17214.8860 0.0000 0.0000 34062.0484 -149295.3071 297.4723 -183357.3555 -149197.9455 299.1688 -209.1564 -178.2854 556683.2895 6.2742 6.1779 PRESSURE: 52200 -9.83107 69.1913 -1.47455 69.1922 31.7913 -46.8417 -1.47477 -46.8417 -86.4323 GPRESSURE: 52200 32.4842 -57.7295 -57.8336 191.552 97.0511 -6.95464 -38.3053 -57.1317 -101.273 PRESSAVG: 52200 -22.8518 5.86641 -39.8338 5.86651 21.4346 -49.6273 -39.8338 -49.6272 -3.90698 GPRESSAVG: 52200 -22.9342 5.26791 -41.7282 5.57757 20.3815 -49.802 -36.8107 -50.6695 -2.66005 TIMING: 52200 CPU: 151.055, 0.00288866/step Wall: 151.055, 0.00288866/step, 3.97014 hours remaining, 198.921875 MB of memory in use. ENERGY: 52200 731.6489 2061.2669 1941.8154 103.9860 -206027.3804 17669.5924 0.0000 0.0000 34325.6871 -149193.3836 299.7748 -183519.0707 -149103.7408 299.0324 -21.4907 9.4206 556663.0836 -1.7747 -1.7376 LDB: ============= START OF LOAD BALANCING ============== 154.439 LDB: ============== END OF LOAD BALANCING =============== 154.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 154.441 LDB: ============= START OF LOAD BALANCING ============== 154.73 LDB: Largest compute 4820 load 0.023710 is 20.1% of average load 0.117795 LDB: Average compute 0.001708 is 1.4% of average load 0.117795 LDB: TIME 154.732 LOAD: AVG 0.117795 MAX 0.17816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.316 MB LDB: TIME 154.732 LOAD: AVG 0.117795 MAX 0.17816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.316 MB LDB: TIME 154.732 LOAD: AVG 0.117795 MAX 0.17816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 154.734 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 154.738 PRESSURE: 52400 -144.433 98.4964 -18.5135 98.4956 -40.7931 34.257 -18.5135 34.2572 412.237 GPRESSURE: 52400 -143.314 72.6048 14.5354 194.131 13.28 67.5706 -25.3068 -13.0957 454.447 PRESSAVG: 52400 -9.38713 25.0641 -6.30625 25.0641 9.52391 23.004 -6.30629 23.0041 -29.6473 GPRESSAVG: 52400 -10.4148 24.8195 -5.04943 24.1904 10.5329 25.9599 -9.59631 22.7876 -29.8066 TIMING: 52400 CPU: 151.642, 0.00293734/step Wall: 151.642, 0.00293733/step, 4.03688 hours remaining, 198.527344 MB of memory in use. ENERGY: 52400 736.8154 2048.4880 1940.7971 118.4827 -206634.9727 18069.8195 0.0000 0.0000 34356.5401 -149364.0301 300.0442 -183720.5702 -149265.1159 299.0396 75.6703 108.1374 557417.3006 -9.8368 -9.8961 PRESSURE: 52600 -119.867 -34.4553 30.3043 -34.4561 -23.2618 -35.2554 30.3045 -35.2538 213.449 GPRESSURE: 52600 -66.4625 -60.4835 99.8708 -32.2518 30.5014 -75.1701 5.40072 -34.3078 205.442 PRESSAVG: 52600 -14.4056 25.5041 7.62246 25.5041 19.8245 -26.5154 7.62244 -26.5155 0.0674694 GPRESSAVG: 52600 -14.0761 26.1797 8.46032 26.4149 19.4822 -27.5006 5.7029 -26.3201 -0.143172 TIMING: 52600 CPU: 152.222, 0.00290083/step Wall: 152.222, 0.00290083/step, 3.98655 hours remaining, 198.527344 MB of memory in use. ENERGY: 52600 735.7262 2078.3170 1966.5244 116.4212 -206348.2463 18006.4185 0.0000 0.0000 34237.9718 -149206.8672 299.0087 -183444.8390 -149111.2487 299.2315 23.4402 56.4936 556805.1986 1.8288 1.7543 PRESSURE: 52800 32.6381 -118.299 -143.821 -118.299 -107.022 -67.3584 -143.82 -67.3585 68.2553 GPRESSURE: 52800 79.4362 -75.9418 -193.611 -134.474 -114.382 -117.104 -105.953 -14.9501 126.661 PRESSAVG: 52800 1.29476 4.59376 21.1484 4.59385 -3.81887 -41.1975 21.1484 -41.1975 6.37392 GPRESSAVG: 52800 0.88669 5.47921 20.3293 4.8132 -4.02481 -41.6978 25.3588 -41.5254 6.67118 TIMING: 52800 CPU: 152.801, 0.00289459/step Wall: 152.801, 0.00289459/step, 3.97782 hours remaining, 198.527344 MB of memory in use. ENERGY: 52800 730.2151 2094.0820 1935.4717 114.2013 -205698.2800 17579.1260 0.0000 0.0000 34185.8535 -149059.3304 298.5536 -183245.1839 -148963.3339 299.1565 -2.0428 30.5719 557605.1528 1.2833 1.1777 PRESSURE: 53000 91.2515 -181.536 -127.195 -181.537 -355.822 27.538 -127.196 27.5389 42.4216 GPRESSURE: 53000 90.1928 -193.355 -99.9407 -195.1 -308.374 112.51 -90.1933 -50.8438 87.3287 PRESSAVG: 53000 13.4328 -84.5193 17.1472 -84.5192 -52.4424 10.7403 17.1471 10.7403 36.9523 GPRESSAVG: 53000 13.0147 -84.2114 15.4512 -85.7774 -53.0208 10.8749 16.6278 11.4494 37.8308 TIMING: 53000 CPU: 153.38, 0.0028914/step Wall: 153.38, 0.0028914/step, 3.97326 hours remaining, 198.527344 MB of memory in use. ENERGY: 53000 735.4983 2082.5767 1945.3811 109.2261 -206126.6500 17622.9386 0.0000 0.0000 34525.6605 -149105.3687 301.5212 -183631.0292 -149004.0450 299.1871 -74.0496 -43.6174 555808.1749 -0.6858 -0.7251 PRESSURE: 53200 204.17 -44.6466 114.192 -44.6457 253.164 23.0954 114.193 23.0979 186.425 GPRESSURE: 53200 222.423 22.7481 148.819 -92.8736 277.446 151.293 118.529 -22.0071 242.674 PRESSAVG: 53200 -30.669 -20.1882 14.9813 -20.1882 57.0719 -11.6551 14.9813 -11.6553 -57.2942 GPRESSAVG: 53200 -31.516 -20.2981 17.0153 -18.8874 57.6878 -11.2912 15.2605 -12.0883 -57.2049 TIMING: 53200 CPU: 153.955, 0.00287676/step Wall: 153.955, 0.00287676/step, 3.95299 hours remaining, 198.527344 MB of memory in use. ENERGY: 53200 764.3673 2146.7188 1952.1478 110.6085 -206550.8762 18147.9306 0.0000 0.0000 34244.9102 -149184.1930 299.0693 -183429.1032 -149085.6316 299.5957 214.5864 247.5143 556032.2726 -10.2971 -10.3444 PRESSURE: 53400 21.0712 -34.864 -47.9074 -34.8627 207.502 45.9608 -47.9076 45.9603 -72.8353 GPRESSURE: 53400 48.2404 84.5871 -106.14 -97.506 271.206 87.9147 -0.15546 -10.6176 -64.6279 PRESSAVG: 53400 55.6399 -39.7042 -42.4047 -39.7041 61.929 35.8282 -42.4047 35.8282 -95.0238 GPRESSAVG: 53400 56.7917 -41.8495 -42.5959 -40.0879 62.2213 37.3686 -42.3848 35.1368 -96.4253 TIMING: 53400 CPU: 154.533, 0.00289077/step Wall: 154.533, 0.00289077/step, 3.97208 hours remaining, 198.785156 MB of memory in use. ENERGY: 53400 745.2891 2109.8915 1964.9552 118.4123 -206264.8967 17851.1771 0.0000 0.0000 34312.0513 -149163.1202 299.6557 -183475.1715 -149062.5305 299.2367 51.9126 84.9397 557399.9651 7.5150 7.5292 PRESSURE: 53600 45.3091 6.35841 102.936 6.35853 34.7508 109.396 102.935 109.396 -2.79946 GPRESSURE: 53600 129.187 -80.5713 85.6868 53.8306 79.3349 133.508 122.059 172.996 -36.6216 PRESSAVG: 53600 1.31265 -7.14299 42.0208 -7.14302 9.66258 5.53271 42.0209 5.53286 -33.8822 GPRESSAVG: 53600 2.42287 -4.13828 41.3496 -8.10681 8.57545 4.2003 42.3467 5.2499 -33.7285 TIMING: 53600 CPU: 155.112, 0.00289297/step Wall: 155.112, 0.00289297/step, 3.97495 hours remaining, 198.785156 MB of memory in use. ENERGY: 53600 750.8880 2156.8277 1979.1700 116.7132 -206246.1507 17797.4514 0.0000 0.0000 34297.0070 -149148.0935 299.5243 -183445.1005 -149045.1314 299.3265 25.7535 57.3000 556955.5111 -7.6357 -7.5767 PRESSURE: 53800 224.829 -53.2984 -30.8284 -53.299 -52.496 29.176 -30.8296 29.1755 110.084 GPRESSURE: 53800 265.162 -45.1476 -31.5128 -60.1814 -2.08369 -10.6267 -71.1274 11.4998 120.233 PRESSAVG: 53800 37.8891 32.8084 -22.8192 32.8084 -12.0416 32.0734 -22.8193 32.0735 6.66259 GPRESSAVG: 53800 37.5973 31.0116 -21.6728 33.5939 -12.6775 32.3551 -24.3174 33.5415 8.23005 TIMING: 53800 CPU: 155.692, 0.00290246/step Wall: 155.692, 0.00290246/step, 3.98782 hours remaining, 198.785156 MB of memory in use. ENERGY: 53800 702.8366 2101.4788 1956.5443 110.8550 -205963.2336 17701.8467 0.0000 0.0000 34314.5799 -149075.0924 299.6778 -183389.6723 -148971.4257 299.6885 94.1389 127.7702 555785.1994 10.8367 11.0500 PRESSURE: 54000 47.7225 81.6347 -110.6 81.6345 123.374 92.3787 -110.6 92.3798 -203.371 GPRESSURE: 54000 41.7581 125.388 -137.677 41.3482 156.63 63.261 -223.011 87.7624 -124.829 PRESSAVG: 54000 88.0967 58.0651 -53.008 58.0652 -79.8927 62.2795 -53.008 62.2794 -22.7493 GPRESSAVG: 54000 87.5213 58.0167 -54.2215 56.9646 -78.9247 62.3488 -51.8734 61.5864 -23.0104 TIMING: 54000 CPU: 156.271, 0.00289137/step Wall: 156.271, 0.00289137/step, 3.97243 hours remaining, 198.785156 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: 54000 773.9405 2170.4860 1946.5442 118.6568 -206490.9884 17868.8702 0.0000 0.0000 34641.2784 -148971.2124 302.5309 -183612.4908 -148867.6492 300.9748 -10.7582 24.5195 555992.5586 -4.8484 -4.8046 PRESSURE: 54200 -42.7407 167.399 6.03227 167.4 -157.544 121.515 6.03154 121.512 -74.6131 GPRESSURE: 54200 -21.0306 116.081 -9.96937 170.676 -81.959 103.57 -15.3113 119.636 -63.0461 PRESSAVG: 54200 3.39948 59.5876 -55.5016 59.5876 56.1512 -53.7834 -55.5015 -53.7835 -62.1505 GPRESSAVG: 54200 2.83871 59.2909 -54.9432 60.9381 57.1656 -53.0363 -55.5626 -52.8449 -62.747 TIMING: 54200 CPU: 156.849, 0.00289304/step Wall: 156.849, 0.00289304/step, 3.97456 hours remaining, 198.785156 MB of memory in use. ENERGY: 54200 751.4447 2117.8542 1931.5521 111.0841 -206063.8694 17561.4500 0.0000 0.0000 34482.5639 -149107.9205 301.1448 -183590.4844 -149012.0568 300.5661 -91.6326 -55.3452 556396.5524 -0.8666 -0.9142 PRESSURE: 54400 -102.1 -46.0492 15.7091 -46.0486 -97.2096 -3.28912 15.7098 -3.28884 -394.468 GPRESSURE: 54400 -87.1279 43.2317 -66.1379 -131.43 -86.3708 17.0763 -15.6383 36.4809 -319.305 PRESSAVG: 54400 93.7757 52.2254 9.77172 52.2254 -8.84895 17.2562 9.77176 17.2562 -56.0289 GPRESSAVG: 54400 93.1539 53.1677 10.2292 49.0722 -9.29714 16.8219 9.31567 18.741 -54.9134 TIMING: 54400 CPU: 157.428, 0.0028966/step Wall: 157.428, 0.0028966/step, 3.97929 hours remaining, 198.785156 MB of memory in use. ENERGY: 54400 789.5420 2111.1122 1953.8830 113.0245 -205954.1377 17589.3455 0.0000 0.0000 34206.7613 -149190.4693 298.7362 -183397.2306 -149099.7875 299.9532 -197.9259 -164.2679 557315.5831 9.6326 9.6478 PRESSURE: 54600 117.602 -195.545 16.4869 -195.545 113.802 26.0926 16.4874 26.0918 8.5684 GPRESSURE: 54600 156.007 -158.517 -20.2216 -98.8971 206.984 87.1486 32.7731 -62.8266 -25.8125 PRESSAVG: 54600 -4.86989 8.28995 -49.9991 8.29006 10.5261 -51.5572 -49.999 -51.5573 12.4673 GPRESSAVG: 54600 -4.06103 6.84572 -50.9396 11.7551 11.9217 -51.4909 -49.1058 -53.2285 10.4812 TIMING: 54600 CPU: 158.01, 0.00290737/step Wall: 158.01, 0.00290737/step, 3.99392 hours remaining, 198.785156 MB of memory in use. ENERGY: 54600 748.6231 2104.5967 1952.3137 119.5031 -206384.2478 17872.8637 0.0000 0.0000 34361.8403 -149224.5071 300.0905 -183586.3474 -149130.8163 299.4875 79.9908 112.3929 556313.1419 6.0412 6.1139 PRESSURE: 54800 -40.8698 110.523 -248.489 110.522 77.0089 -154.226 -248.487 -154.226 222.235 GPRESSURE: 54800 -10.2274 20.5486 -198.076 143.65 93.4963 -52.0023 -272.561 -229.257 269.425 PRESSAVG: 54800 0.388479 26.8109 -28.1133 26.8108 5.89373 -10.1484 -28.1133 -10.1484 -10.1598 GPRESSAVG: 54800 0.134785 28.814 -27.6462 21.2474 3.90933 -11.5387 -28.3114 -8.08361 -8.45328 TIMING: 54800 CPU: 158.588, 0.00289275/step Wall: 158.588, 0.00289275/step, 3.97368 hours remaining, 198.785156 MB of memory in use. ENERGY: 54800 709.7278 2085.7215 1950.4332 116.5705 -206086.7656 17633.3119 0.0000 0.0000 34212.8480 -149378.1526 298.7893 -183591.0007 -149286.0059 299.1483 86.1246 117.5646 554454.5942 -1.2925 -1.4697 PRESSURE: 55000 -238.098 81.4988 -50.4595 81.4994 94.001 -25.8362 -50.4594 -25.8383 -270.276 GPRESSURE: 55000 -183.559 -28.5961 -86.9558 107.738 92.4182 13.0061 -8.45456 -109.983 -215.399 PRESSAVG: 55000 5.86338 34.0472 -5.91068 34.0473 -1.43374 -30.5345 -5.9107 -30.5346 -40.7528 GPRESSAVG: 55000 3.8545 32.9534 -3.12277 38.754 0.932146 -27.2275 -7.1186 -31.9571 -40.7053 TIMING: 55000 CPU: 159.165, 0.00288398/step Wall: 159.165, 0.00288398/step, 3.96146 hours remaining, 198.785156 MB of memory in use. ENERGY: 55000 769.8230 2079.1957 1951.5711 119.3930 -205856.8050 17544.0334 0.0000 0.0000 34087.1874 -149305.6015 297.6919 -183392.7888 -149206.3034 298.5087 -138.1243 -102.1801 556939.7969 -12.1077 -11.9729 PRESSURE: 55200 52.5636 -17.0989 35.422 -17.0994 196.175 -196.224 35.4221 -196.224 63.5718 GPRESSURE: 55200 57.2572 8.1282 30.0151 -31.2796 269.641 -177.809 36.665 -192.01 87.1265 PRESSAVG: 55200 -64.4539 -28.1569 -13.5599 -28.1569 43.3665 -37.3784 -13.5599 -37.3783 37.5548 GPRESSAVG: 55200 -64.0099 -27.8807 -16.7785 -28.8095 41.7155 -37.815 -11.0485 -38.2618 38.3154 TIMING: 55200 CPU: 159.743, 0.00289002/step Wall: 159.743, 0.00289002/step, 3.9696 hours remaining, 198.785156 MB of memory in use. ENERGY: 55200 729.3016 2032.1023 1941.1053 101.9464 -206588.8344 18069.4083 0.0000 0.0000 34237.0621 -149477.9083 299.0008 -183714.9705 -149383.8304 298.6796 104.1034 138.0082 556850.4449 5.4891 5.3403 PRESSURE: 55400 -215.878 -171.059 79.8776 -171.059 -277.363 38.0266 79.8774 38.0257 184.521 GPRESSURE: 55400 -137.958 -155.375 106.759 -170.196 -194.557 133.066 32.4434 71.4548 125.836 PRESSAVG: 55400 -39.7893 -2.71168 18.4162 -2.71176 9.40955 93.9883 18.4161 93.9883 41.8782 GPRESSAVG: 55400 -39.7998 -2.00506 17.4501 -4.57919 10.5946 93.4707 17.1941 94.1527 40.8338 TIMING: 55400 CPU: 160.316, 0.00286497/step Wall: 160.316, 0.00286497/step, 3.93503 hours remaining, 198.785156 MB of memory in use. ENERGY: 55400 753.5253 2060.6225 1929.2957 120.1617 -206131.2206 17829.9450 0.0000 0.0000 34136.0490 -149301.6214 298.1186 -183437.6704 -149208.2940 298.7378 -102.9065 -68.8933 557415.0206 3.8328 3.8762 PRESSURE: 55600 19.779 34.7091 104.913 34.7084 -122.633 136.951 104.913 136.951 -184.505 GPRESSURE: 55600 41.3616 -0.523475 144.906 115.449 -103.345 152.406 94.8228 168.279 -117.725 PRESSAVG: 55600 21.9826 -1.2855 -24.7 -1.28552 -50.4069 69.9671 -24.7001 69.9671 22.0066 GPRESSAVG: 55600 22.0884 -3.11588 -25.301 1.12419 -50.5323 69.7291 -24.4088 70.6614 21.786 TIMING: 55600 CPU: 160.892, 0.00287909/step Wall: 160.892, 0.00287909/step, 3.95427 hours remaining, 198.785156 MB of memory in use. ENERGY: 55600 753.1471 2073.8230 1941.9502 125.9366 -206278.2567 17835.9367 0.0000 0.0000 34274.5907 -149272.8723 299.3285 -183547.4630 -149173.2672 298.7138 -95.7863 -59.9027 558352.2396 -2.1392 -2.2193 PRESSURE: 55800 -315.325 -40.6323 184.835 -40.6324 -246.179 -55.9228 184.835 -55.9227 -228.38 GPRESSURE: 55800 -266.769 -21.0349 142.124 -18.6934 -210.566 -11.9278 204.342 -89.8248 -201.184 PRESSAVG: 55800 -26.4067 -12.4025 38.2685 -12.4026 36.0099 54.6185 38.2684 54.6186 -13.6248 GPRESSAVG: 55800 -26.1138 -11.9091 41.4585 -13.6798 35.2859 54.3964 33.8044 54.8207 -13.0553 TIMING: 55800 CPU: 161.468, 0.00288151/step Wall: 161.468, 0.00288151/step, 3.95743 hours remaining, 198.785156 MB of memory in use. ENERGY: 55800 798.1193 2080.1519 1976.9503 113.0327 -205766.4912 17497.9597 0.0000 0.0000 34265.3855 -149034.8917 299.2481 -183300.2772 -148937.0351 299.3462 -263.2949 -226.1726 557946.8200 -1.3405 -1.2944 PRESSURE: 56000 308.602 -32.3219 -96.9437 -32.3213 -329.843 -15.0169 -96.9441 -15.0178 159.268 GPRESSURE: 56000 358.341 -12.171 -111.653 -32.888 -312.215 7.99592 -47.7745 -27.6264 178.142 PRESSAVG: 56000 -1.80938 8.21986 -13.4233 8.21984 5.98104 -2.00824 -13.4233 -2.00836 -6.94631 GPRESSAVG: 56000 -1.12752 7.65558 -14.1376 7.87203 6.03416 -2.29612 -8.41514 -2.75665 -7.69334 TIMING: 56000 CPU: 162.044, 0.00287648/step Wall: 162.044, 0.00287648/step, 3.95037 hours remaining, 198.785156 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: 56000 797.6155 2078.0711 1925.6638 115.4544 -206224.3983 17886.7441 0.0000 0.0000 34373.2717 -149047.5777 300.1903 -183420.8494 -148950.7920 299.7992 46.0090 74.7559 556008.8366 -0.9249 -0.9289 PRESSURE: 56200 175.384 -48.7122 1.90695 -48.7116 -42.3395 51.495 1.90689 51.4949 40.9906 GPRESSURE: 56200 172.091 51.5749 72.1219 -58.4024 -27.1471 62.6881 -147.004 20.0633 128.032 PRESSAVG: 56200 41.878 -51.3133 -1.95759 -51.3133 -38.3121 2.97957 -1.9577 2.97962 -12.0217 GPRESSAVG: 56200 40.8095 -51.9834 -1.16253 -50.0888 -36.9022 2.81333 -3.86564 3.53363 -12.2509 TIMING: 56200 CPU: 162.621, 0.00288522/step Wall: 162.621, 0.00288522/step, 3.96221 hours remaining, 198.785156 MB of memory in use. ENERGY: 56200 757.6263 2102.9317 1946.9784 122.0281 -206195.1513 17793.8686 0.0000 0.0000 34342.9988 -149128.7194 299.9260 -183471.7182 -149036.0820 300.1730 58.0116 90.9921 556257.2640 -2.8186 -2.7812 LDB: ============= START OF LOAD BALANCING ============== 166.005 LDB: ============== END OF LOAD BALANCING =============== 166.006 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 166.007 LDB: ============= START OF LOAD BALANCING ============== 166.297 LDB: Largest compute 4820 load 0.023790 is 20.2% of average load 0.117800 LDB: Average compute 0.001709 is 1.5% of average load 0.117800 LDB: TIME 166.299 LOAD: AVG 0.1178 MAX 0.179942 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.102 MB LDB: TIME 166.3 LOAD: AVG 0.1178 MAX 0.179942 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.172 MB LDB: TIME 166.3 LOAD: AVG 0.1178 MAX 0.179942 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.172 MB LDB: ============== END OF LOAD BALANCING =============== 166.301 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 166.305 PRESSURE: 56400 -224.597 -15.5308 26.9224 -15.5307 112.517 54.9897 26.922 54.9905 177.106 GPRESSURE: 56400 -178.935 -35.7526 -28.564 73.9349 154.491 110.141 128.599 49.1967 174.722 PRESSAVG: 56400 -28.7275 -18.9322 -30.5471 -18.9323 38.6039 55.3365 -30.5471 55.3365 8.20328 GPRESSAVG: 56400 -27.8134 -17.2073 -31.645 -18.4547 36.9477 54.8187 -30.2348 55.5098 8.76674 TIMING: 56400 CPU: 163.21, 0.00294539/step Wall: 163.21, 0.00294539/step, 4.04468 hours remaining, 198.644531 MB of memory in use. ENERGY: 56400 755.1306 2068.4156 1944.1007 109.4304 -205895.1473 17589.2464 0.0000 0.0000 34386.5378 -149042.2857 300.3062 -183428.8235 -148934.9032 300.8651 21.6751 50.0929 557021.4121 6.0266 5.9670 PRESSURE: 56600 50.2051 49.0793 21.3927 49.0792 -142.472 -110.264 21.3924 -110.264 98.2501 GPRESSURE: 56600 77.7084 48.0984 2.8796 65.8801 -111.254 -42.4214 -29.7863 -63.1151 136.54 PRESSAVG: 56600 11.9223 0.459269 -4.88145 0.459216 -6.39686 1.44493 -4.88149 1.44508 12.7221 GPRESSAVG: 56600 13.2119 0.800117 -7.8588 -2.46406 -5.58527 2.71045 -3.13054 0.110319 11.2493 TIMING: 56600 CPU: 163.785, 0.00287396/step Wall: 163.785, 0.00287396/step, 3.94642 hours remaining, 198.847656 MB of memory in use. ENERGY: 56600 713.0684 2140.2733 1932.2925 126.0965 -206119.5930 17822.3737 0.0000 0.0000 34397.0744 -148988.4143 300.3982 -183385.4887 -148886.4193 299.9943 1.9945 34.3316 557649.1004 6.0825 6.2920 PRESSURE: 56800 -172.562 0.511965 99.7496 0.512022 -62.6087 -107.665 99.7503 -107.666 -136.519 GPRESSURE: 56800 -186.424 -87.4208 21.9993 74.9998 2.84293 -26.4289 111.619 -41.1381 -95.966 PRESSAVG: 56800 -7.85667 48.6208 9.35637 48.6208 6.72032 -17.1402 9.35643 -17.1401 24.5724 GPRESSAVG: 56800 -9.20395 44.934 12.1302 51.6804 6.98345 -18.0985 7.35272 -15.8695 25.5092 TIMING: 56800 CPU: 164.362, 0.00288636/step Wall: 164.362, 0.00288636/step, 3.96329 hours remaining, 198.847656 MB of memory in use. ENERGY: 56800 714.1716 2094.3203 1932.9305 109.7283 -205951.0057 17398.3114 0.0000 0.0000 34568.2357 -149133.3080 301.8930 -183701.5437 -149029.2378 299.8451 -123.8968 -93.1822 557786.2521 7.8120 7.7629 PRESSURE: 57000 -23.9824 83.3762 23.5708 83.3763 -307.997 -136.385 23.5711 -136.386 -208.932 GPRESSURE: 57000 -66.8891 121.786 35.1539 79.1224 -255.417 -181.352 53.9999 -44.2057 -118.766 PRESSAVG: 57000 -45.1343 1.84371 34.3235 1.84368 17.3731 2.81118 34.3234 2.81115 -7.49963 GPRESSAVG: 57000 -45.887 5.01267 33.5207 -1.10459 16.6542 2.25796 35.4183 2.61042 -6.49577 TIMING: 57000 CPU: 164.943, 0.0029033/step Wall: 164.943, 0.0029033/step, 3.98639 hours remaining, 198.847656 MB of memory in use. ENERGY: 57000 776.9025 2109.7358 1956.0466 106.9784 -205717.5489 17470.1917 0.0000 0.0000 34211.6166 -149086.0773 298.7786 -183297.6939 -148991.6090 299.5969 -180.3039 -147.0239 557347.3178 -11.7536 -11.9095 PRESSURE: 57200 293.392 -231.42 71.9391 -231.419 315.79 53.2632 71.9397 53.2628 72.7965 GPRESSURE: 57200 382.955 -162.8 -21.5937 -185.111 291.914 145.307 120.229 -31.7556 105.851 PRESSAVG: 57200 -40.2632 -28.5596 50.12 -28.5596 11.6738 21.5175 50.12 21.5176 35.2842 GPRESSAVG: 57200 -38.9927 -27.4411 52.4008 -29.4553 12.0608 20.7189 47.449 20.5121 33.8879 TIMING: 57200 CPU: 165.523, 0.00290064/step Wall: 165.523, 0.00290064/step, 3.98258 hours remaining, 198.847656 MB of memory in use. ENERGY: 57200 770.1813 2161.3200 1979.2571 131.2631 -206589.9100 18198.5042 0.0000 0.0000 34436.3233 -148913.0609 300.7410 -183349.3841 -148814.5525 300.2572 227.3261 260.2398 556812.1071 2.2316 2.3187 PRESSURE: 57400 -79.1394 -99.5755 121.067 -99.5761 125.942 -58.4699 121.068 -58.4685 -79.9339 GPRESSURE: 57400 -63.5388 -139.236 160.524 -39.9919 190.34 13.2254 156.669 -68.3651 -51.7871 PRESSAVG: 57400 38.7336 -100.845 79.2044 -100.845 -7.52383 -12.4906 79.2044 -12.4905 -44.335 GPRESSAVG: 57400 39.2893 -103.663 77.496 -99.6924 -7.53936 -11.4604 81.3501 -11.178 -45.146 TIMING: 57400 CPU: 166.103, 0.00290383/step Wall: 166.103, 0.00290383/step, 3.9868 hours remaining, 198.847656 MB of memory in use. ENERGY: 57400 734.6581 2157.1196 1944.9022 115.5740 -205949.6621 17878.4699 0.0000 0.0000 34364.1549 -148754.7834 300.1107 -183118.9383 -148661.4797 301.1508 -11.0438 25.0048 558504.2326 -4.3751 -4.4654 PRESSURE: 57600 96.61 1.52101 33.8475 1.52098 -144.818 69.717 33.8484 69.7158 -144.685 GPRESSURE: 57600 91.7811 7.08656 63.872 -52.9577 -90.5817 15.1198 11.9748 64.3753 -91.7124 PRESSAVG: 57600 37.0372 -71.128 -15.1657 -71.1278 -15.162 -6.30522 -15.1657 -6.30523 -25.5893 GPRESSAVG: 57600 35.9173 -69.3231 -14.2973 -71.6804 -14.1373 -5.64947 -15.0754 -5.97991 -25.4294 TIMING: 57600 CPU: 166.678, 0.00287503/step Wall: 166.678, 0.00287503/step, 3.9471 hours remaining, 198.847656 MB of memory in use. ENERGY: 57600 739.6543 2143.7540 1941.8441 129.4229 -205781.7354 17744.0488 0.0000 0.0000 34459.9065 -148623.1047 300.9469 -183083.0113 -148525.3524 301.3134 -64.2977 -30.1710 558469.2771 -1.2380 -1.2165 PRESSURE: 57800 117.095 -1.83572 -65.4086 -1.83558 -13.5422 -297.431 -65.408 -297.431 -311.815 GPRESSURE: 57800 149.82 -14.1927 -13.7135 -36.1992 3.77055 -210.576 -133.647 -345.054 -274.56 PRESSAVG: 57800 -65.6172 -65.86 46.0804 -65.8599 -29.6163 -4.19432 46.0804 -4.19426 44.533 GPRESSAVG: 57800 -64.7427 -68.1807 46.0432 -63.4541 -30.3671 -5.19061 45.0951 -3.29985 44.4568 TIMING: 57800 CPU: 167.256, 0.00288667/step Wall: 167.256, 0.00288667/step, 3.96292 hours remaining, 198.847656 MB of memory in use. ENERGY: 57800 723.3111 2134.4206 1958.3122 135.9109 -205863.5903 17692.0923 0.0000 0.0000 34563.4337 -148656.1094 301.8511 -183219.5432 -148557.5314 301.1572 -69.4207 -40.3231 557887.4723 -16.9002 -16.8843 PRESSURE: 58000 -113.819 -64.6933 38.9705 -64.6926 89.9856 -149.534 38.9694 -149.535 -148.508 GPRESSURE: 58000 -122.942 -68.7953 41.8766 -97.9688 167.071 -192.524 61.1862 -45.8445 -121.093 PRESSAVG: 58000 60.2651 -16.103 -1.6048 -16.1029 -74.8867 -10.3097 -1.60476 -10.3098 35.7291 GPRESSAVG: 58000 60.2639 -13.9754 -2.99614 -16.1243 -75.0026 -9.2206 -0.639134 -12.8607 35.7709 TIMING: 58000 CPU: 167.833, 0.00288417/step Wall: 167.833, 0.00288417/step, 3.95932 hours remaining, 199.105469 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: 58000 729.8708 2138.1600 1928.7253 121.2553 -205608.8986 17554.5326 0.0000 0.0000 34364.4921 -148771.8624 300.1137 -183136.3544 -148674.5824 300.8799 -57.4470 -25.6545 556591.4950 7.0359 7.0107 PRESSURE: 58200 -127.665 -18.0053 6.96613 -18.0056 -172.732 5.77833 6.96674 5.77901 166.93 GPRESSURE: 58200 -125.485 0.959567 22.8689 -30.8715 -132.776 -53.8953 32.9435 32.3068 220.28 PRESSAVG: 58200 13.3659 -15.484 -11.4875 -15.484 -52.7491 -32.7239 -11.4875 -32.724 55.8195 GPRESSAVG: 58200 12.211 -17.7298 -10.8381 -14.5195 -51.7303 -33.5603 -12.7627 -29.9878 56.0094 TIMING: 58200 CPU: 168.409, 0.00288025/step Wall: 168.409, 0.00288025/step, 3.95379 hours remaining, 199.105469 MB of memory in use. ENERGY: 58200 753.0873 2067.3176 1939.6694 109.3564 -205900.0508 17783.0315 0.0000 0.0000 34540.7948 -148706.7937 301.6534 -183247.5885 -148610.9009 300.7104 -44.4891 -12.6601 558458.7983 5.4788 5.4967 PRESSURE: 58400 56.4755 -3.80478 39.8832 -3.80592 82.8671 217.918 39.8824 217.917 379.936 GPRESSURE: 58400 148.785 18.3564 57.6113 23.8014 125.372 197.52 -15.9508 183.294 351.534 PRESSAVG: 58400 9.86188 -22.2855 -4.6864 -22.2856 36.7605 -10.0003 -4.68641 -10.0002 1.9357 GPRESSAVG: 58400 10.5952 -19.1005 -4.36889 -23.6734 36.3714 -9.23912 -3.66154 -11.1319 1.87119 TIMING: 58400 CPU: 168.985, 0.0028831/step Wall: 168.985, 0.0028831/step, 3.95754 hours remaining, 199.105469 MB of memory in use. ENERGY: 58400 760.8689 2093.2023 1930.2808 108.6038 -206186.4298 18099.4486 0.0000 0.0000 34310.5310 -148883.4944 299.6424 -183194.0254 -148788.1673 300.1756 173.0928 208.5636 557395.7209 16.1860 16.2793 PRESSURE: 58600 -167.667 -74.6095 -66.8157 -74.6096 94.9127 -40.3899 -66.8151 -40.3887 -139.091 GPRESSURE: 58600 -129.215 -134.046 -56.8465 -50.2567 121.983 -131.381 -122.428 -35.5752 -104.846 PRESSAVG: 58600 -15.538 -14.3844 -32.3326 -14.3843 -29.5848 49.5132 -32.3327 49.5131 7.16789 GPRESSAVG: 58600 -15.6755 -17.3573 -32.613 -13.4143 -29.9729 49.6703 -32.3768 51.4558 7.90955 TIMING: 58600 CPU: 169.559, 0.0028701/step Wall: 169.559, 0.0028701/step, 3.93953 hours remaining, 199.105469 MB of memory in use. ENERGY: 58600 762.1479 2122.6238 1933.6827 106.2029 -205981.4174 17728.6329 0.0000 0.0000 34268.2446 -149059.8826 299.2731 -183328.1272 -148958.5025 299.7885 -70.6150 -37.3592 558389.2307 -12.6516 -12.5796 PRESSURE: 58800 150.447 -228.432 -138.16 -228.431 -94.7114 -254.336 -138.161 -254.336 80.3252 GPRESSURE: 58800 197.816 -266.17 -60.1007 -181.942 -76.8502 -260.425 -209.818 -279.24 108.557 PRESSAVG: 58800 -0.785845 -89.594 -38.6129 -89.594 -48.637 -19.1493 -38.613 -19.1493 31.7154 GPRESSAVG: 58800 0.159039 -87.9517 -37.261 -88.7354 -48.9831 -19.7787 -39.2868 -21.4018 31.3801 TIMING: 58800 CPU: 170.138, 0.00289398/step Wall: 170.138, 0.00289398/step, 3.97215 hours remaining, 199.105469 MB of memory in use. ENERGY: 58800 727.3791 2095.1049 1949.9281 115.0018 -206181.3128 17901.0762 0.0000 0.0000 34278.4751 -149114.3476 299.3624 -183392.8227 -149023.1606 299.4175 45.3535 76.5075 557730.7846 -5.9025 -5.8146 PRESSURE: 59000 123.176 -173.519 -196.685 -173.518 -6.10665 -181.859 -196.684 -181.861 79.6376 GPRESSURE: 59000 140.706 -147.517 -171.904 -188.746 23.1408 -192.354 -210.155 -215.867 134.055 PRESSAVG: 59000 -36.0618 -78.7796 -57.3264 -78.7796 49.9186 -21.6216 -57.3263 -21.6215 -17.9508 GPRESSAVG: 59000 -36.4146 -80.0693 -58.1491 -81.3912 51.0785 -21.1814 -57.4401 -21.8905 -18.4824 TIMING: 59000 CPU: 170.722, 0.00291969/step Wall: 170.722, 0.00291969/step, 4.00727 hours remaining, 199.105469 MB of memory in use. ENERGY: 59000 743.1400 2133.5371 1936.7808 117.0063 -206616.2857 17875.6980 0.0000 0.0000 34523.5051 -149286.6184 301.5024 -183810.1234 -149180.8185 299.5275 65.5690 99.3006 557822.0288 -1.3647 -1.2728 PRESSURE: 59200 -78.8917 -158.715 52.3439 -158.714 29.4559 10.9603 52.3434 10.9607 -231.436 GPRESSURE: 59200 -6.3642 -107.06 -39.7048 -136.619 35.1402 56.6311 108.106 -31.1608 -204.136 PRESSAVG: 59200 8.85451 -20.186 -20.5911 -20.1861 7.2745 -22.6963 -20.5911 -22.6963 -57.1596 GPRESSAVG: 59200 9.64447 -18.7803 -22.3831 -18.154 6.72942 -24.3513 -18.3989 -22.2005 -58.0456 TIMING: 59200 CPU: 171.303, 0.00290732/step Wall: 171.303, 0.00290732/step, 3.99013 hours remaining, 199.105469 MB of memory in use. ENERGY: 59200 744.9251 2103.6724 1945.5178 118.4016 -206008.5721 17556.9951 0.0000 0.0000 34304.0565 -149235.0036 299.5859 -183539.0601 -149140.3069 299.4067 -93.6238 -58.4534 557545.2417 -13.6769 -13.8906 PRESSURE: 59400 -115.398 -122.964 -31.3331 -122.962 228.132 -98.6481 -31.3325 -98.6473 -176.547 GPRESSURE: 59400 -98.6402 -65.6821 -27.2672 -117.889 254.54 13.2747 -50.712 -82.9313 -112.385 PRESSAVG: 59400 -29.0294 2.15709 -42.0982 2.15719 49.3997 24.4156 -42.0982 24.4156 9.43777 GPRESSAVG: 59400 -29.1009 1.97712 -41.4673 2.90996 48.0412 25.3898 -43.4585 24.0403 11.0558 TIMING: 59400 CPU: 171.884, 0.0029013/step Wall: 171.884, 0.0029013/step, 3.98172 hours remaining, 199.105469 MB of memory in use. ENERGY: 59400 765.6078 2084.9233 1964.0364 114.7116 -206490.4704 17837.2194 0.0000 0.0000 34503.3812 -149220.5907 301.3266 -183723.9719 -149125.6521 299.7999 -21.2713 14.5047 557073.4875 9.9360 9.9987 PRESSURE: 59600 27.327 26.4269 -25.3407 26.4272 -123.634 -138.783 -25.3397 -138.783 22.7459 GPRESSURE: 59600 36.9241 -0.644484 -28.6695 77.9875 -57.0937 -203.214 -78.3955 -4.16629 43.5846 PRESSAVG: 59600 -59.5075 39.6386 -28.9787 39.6387 -24.4868 15.9519 -28.9787 15.952 17.164 GPRESSAVG: 59600 -59.5053 37.008 -28.1001 37.4888 -23.4362 16.8725 -28.1611 16.3348 16.1131 TIMING: 59600 CPU: 172.459, 0.00287756/step Wall: 172.459, 0.00287756/step, 3.94897 hours remaining, 199.105469 MB of memory in use. ENERGY: 59600 785.5241 2081.8431 1935.6457 113.4620 -206588.6699 18003.1151 0.0000 0.0000 34432.0453 -149237.0346 300.7036 -183669.0798 -149146.6498 299.7091 -24.5203 7.8050 556855.0604 -22.2768 -22.2761 PRESSURE: 59800 117.974 -25.0749 -72.0336 -25.0739 -113.866 71.9605 -72.033 71.9617 13.4478 GPRESSURE: 59800 116.94 3.17653 -67.9585 14.9755 -53.2818 54.2172 -85.4697 109.791 40.2397 PRESSAVG: 59800 12.7481 -12.1266 0.398038 -12.1267 5.59213 22.9511 0.398072 22.9513 10.9508 GPRESSAVG: 59800 11.9879 -9.06345 0.471862 -11.4676 5.41953 20.7247 0.425465 24.5773 11.1317 TIMING: 59800 CPU: 173.035, 0.00287964/step Wall: 173.035, 0.00287964/step, 3.95166 hours remaining, 199.105469 MB of memory in use. ENERGY: 59800 753.3943 2088.3362 1930.2808 116.2544 -206212.4724 17822.1067 0.0000 0.0000 34207.0732 -149295.0267 298.7389 -183502.0999 -149197.2711 299.2612 5.8518 34.6327 556746.2545 9.7637 9.5130 PRESSURE: 60000 82.1265 -2.04721 59.8089 -2.04955 196.654 93.6584 59.8091 93.657 -120.546 GPRESSURE: 60000 140.225 38.7997 101.477 -50.5067 231.888 45.2164 22.0983 65.4528 -112.746 PRESSAVG: 60000 -23.451 12.4179 54.9431 12.4178 11.3632 45.7463 54.9431 45.7464 4.01461 GPRESSAVG: 60000 -23.6678 11.4932 55.2548 12.5153 10.3947 46.6839 53.0187 44.0523 5.60652 TIMING: 60000 CPU: 173.611, 0.00287775/step Wall: 173.611, 0.00287775/step, 3.94892 hours remaining, 199.105469 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: 60000 726.0106 2101.1105 1938.5812 116.9615 -206604.4354 18061.2592 0.0000 0.0000 34259.5464 -149400.9659 299.1971 -183660.5123 -149305.1182 299.2860 52.7449 86.4555 556624.7380 -2.6911 -2.5555 PRESSURE: 60200 -69.3474 91.1755 -64.2418 91.1747 174.317 225.279 -64.2401 225.28 -80.8934 GPRESSURE: 60200 32.6955 80.6798 -97.6828 92.5923 183.286 217.563 -25.9695 163.447 -101.574 PRESSAVG: 60200 15.6391 37.0636 84.0597 37.0636 -37.6365 99.7617 84.0598 99.7618 -9.97648 GPRESSAVG: 60200 15.5179 36.8918 86.3856 37.8055 -35.8182 101.313 84.5732 99.0845 -11.0608 TIMING: 60200 CPU: 174.192, 0.00290502/step Wall: 174.192, 0.00290502/step, 3.98618 hours remaining, 199.105469 MB of memory in use. ENERGY: 60200 762.8543 2107.6842 1921.6928 112.2647 -206151.1754 17674.4193 0.0000 0.0000 34118.1683 -149454.0919 297.9624 -183572.2601 -149357.0399 298.0181 8.0254 38.1358 555770.7588 -10.6579 -10.4537 LDB: ============= START OF LOAD BALANCING ============== 177.576 LDB: ============== END OF LOAD BALANCING =============== 177.576 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 177.577 LDB: ============= START OF LOAD BALANCING ============== 177.866 LDB: Largest compute 4800 load 0.024024 is 20.4% of average load 0.117863 LDB: Average compute 0.001705 is 1.4% of average load 0.117863 LDB: TIME 177.869 LOAD: AVG 0.117863 MAX 0.178994 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.098 MB LDB: TIME 177.869 LOAD: AVG 0.117863 MAX 0.178994 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.098 MB LDB: TIME 177.869 LOAD: AVG 0.117863 MAX 0.178994 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 177.871 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 177.875 PRESSURE: 60400 53.8529 32.0291 147.655 32.029 54.886 28.0632 147.656 28.0645 -56.1611 GPRESSURE: 60400 47.5059 -2.82665 113.882 71.6523 98.2075 21.7707 91.1208 -40.9165 0.930316 PRESSAVG: 60400 19.6778 34.3791 18.1252 34.3791 -4.73787 -9.8282 18.1252 -9.82806 -26.9319 GPRESSAVG: 60400 20.2028 34.7735 16.3991 31.7406 -4.52314 -11.3191 17.6477 -9.19021 -27.4922 TIMING: 60400 CPU: 174.779, 0.00293645/step Wall: 174.779, 0.00293645/step, 4.02914 hours remaining, 201.414062 MB of memory in use. ENERGY: 60400 766.9329 2093.1793 1929.4573 106.9491 -206241.0144 17858.2097 0.0000 0.0000 34179.1066 -149307.1795 298.4946 -183486.2861 -149206.5949 298.2552 17.5259 48.8813 556181.5691 -3.9973 -3.9375 PRESSURE: 60600 93.4689 -33.1326 -109.015 -33.1325 -138.919 20.2919 -109.014 20.2932 -68.4196 GPRESSURE: 60600 119.746 -21.6483 -60.0382 -15.7598 -97.2465 49.93 -125.134 11.1082 -29.6671 PRESSAVG: 60600 -12.427 -7.22273 13.6972 -7.22274 -26.6937 -1.8702 13.6972 -1.87005 -13.7656 GPRESSAVG: 60600 -12.0881 -6.70583 15.2027 -4.70043 -27.2583 -2.55772 14.8044 -1.30998 -13.6346 TIMING: 60600 CPU: 175.354, 0.00287563/step Wall: 175.354, 0.00287563/step, 3.94552 hours remaining, 201.414062 MB of memory in use. ENERGY: 60600 750.5388 2069.0109 1934.9024 118.3695 -206131.1971 17761.6537 0.0000 0.0000 34164.5944 -149332.1275 298.3679 -183496.7219 -149235.9236 298.7951 -37.9567 -2.3892 557666.4986 -17.6287 -17.6603 PRESSURE: 60800 -232.186 8.48951 40.7988 8.49093 -145.701 -1.60411 40.7972 -1.60384 -150.641 GPRESSURE: 60800 -251.834 1.30799 -75.4403 78.0193 -61.561 -121.228 178.757 28.4379 -128.79 PRESSAVG: 60800 56.6305 14.4181 20.4448 14.4182 -13.6831 -14.0032 20.4449 -14.0031 -42.5608 GPRESSAVG: 60800 55.2653 11.3269 16.7903 15.3484 -13.4426 -12.9665 22.0303 -14.0955 -41.6305 TIMING: 60800 CPU: 175.93, 0.00287955/step Wall: 175.93, 0.00287955/step, 3.95074 hours remaining, 201.414062 MB of memory in use. ENERGY: 60800 807.5695 2069.5822 1929.0575 117.6591 -206445.1134 17723.8293 0.0000 0.0000 34384.1587 -149413.2570 300.2854 -183797.4157 -149313.0450 299.3536 -176.1757 -147.3949 557262.6081 0.1289 0.0641 PRESSURE: 61000 -54.0365 71.8672 -33.1421 71.8683 -44.0493 95.2298 -33.1419 95.2289 29.8283 GPRESSURE: 61000 -46.1184 -13.0957 -42.0396 123.002 -56.657 110.698 -76.8026 126.043 136.772 PRESSAVG: 61000 -71.1218 -13.1432 9.33508 -13.1432 -11.3703 -16.3416 9.33514 -16.3416 62.1023 GPRESSAVG: 61000 -70.8416 -11.0098 11.3254 -14.2985 -12.6324 -15.2408 6.94819 -16.4359 62.5912 TIMING: 61000 CPU: 176.504, 0.0028697/step Wall: 176.504, 0.0028697/step, 3.93707 hours remaining, 201.414062 MB of memory in use. ENERGY: 61000 752.0502 2101.0452 1906.5222 102.9429 -206432.9415 17848.8789 0.0000 0.0000 34332.5208 -149388.9813 299.8344 -183721.5020 -149295.8449 299.9210 -22.7525 11.3322 556285.2998 -6.7966 -6.9609 PRESSURE: 61200 -213.444 -58.4821 3.20875 -58.4831 -47.172 -12.0989 3.2084 -12.0993 -144.272 GPRESSURE: 61200 -211.793 -31.0986 16.3081 -90.4608 -14.0863 -41.5955 -11.0067 -0.754064 -88.5229 PRESSAVG: 61200 26.233 -0.0902499 63.4444 -0.0903246 -10.2436 -2.11762 63.4445 -2.11767 34.4015 GPRESSAVG: 61200 26.545 0.986471 64.1479 -1.55237 -8.59557 -1.67576 62.5522 -3.42801 33.0583 TIMING: 61200 CPU: 177.078, 0.00287002/step Wall: 177.078, 0.00287002/step, 3.93735 hours remaining, 201.414062 MB of memory in use. ENERGY: 61200 755.4332 2150.3223 1923.8847 109.2423 -206118.4252 17680.8899 0.0000 0.0000 34031.2752 -149467.3776 297.2036 -183498.6529 -149363.3633 298.5999 -134.9627 -104.8008 557271.8345 16.7970 17.0026 PRESSURE: 61400 63.7836 16.8696 150.991 16.8699 177.345 48.2619 150.992 48.2615 -206.361 GPRESSURE: 61400 132.794 108.435 176.075 -34.8164 184.863 44.4386 127.178 12.7548 -181.921 PRESSAVG: 61400 -19.4186 0.643469 70.4963 0.643335 -2.27408 -11.5469 70.4963 -11.5469 24.8058 GPRESSAVG: 61400 -20.1849 -0.733812 69.1226 2.74586 -1.90024 -11.5939 72.9939 -8.97524 24.7213 TIMING: 61400 CPU: 177.652, 0.00287176/step Wall: 177.652, 0.00287176/step, 3.93958 hours remaining, 201.414062 MB of memory in use. ENERGY: 61400 757.1415 2051.7090 1964.7489 117.5878 -206608.1676 17885.9824 0.0000 0.0000 34435.0701 -149395.9279 300.7300 -183830.9980 -149296.6234 299.0807 11.5893 45.2454 557035.4477 1.0377 0.8787 PRESSURE: 61600 -197.392 -109.313 39.7721 -109.313 -229.809 -89.5562 39.7727 -89.5575 -201.548 GPRESSURE: 61600 -147.219 -37.5345 5.19372 -88.5191 -217.914 -102.602 35.5126 -43.1588 -166.69 PRESSAVG: 61600 -16.46 26.4331 20.2604 26.4331 49.9358 -20.8877 20.2604 -20.8877 -37.6497 GPRESSAVG: 61600 -16.0737 26.141 17.6162 24.9622 48.8706 -22.1669 21.2872 -22.1263 -36.3227 TIMING: 61600 CPU: 178.229, 0.00288439/step Wall: 178.229, 0.00288439/step, 3.95674 hours remaining, 201.414062 MB of memory in use. ENERGY: 61600 733.1653 2047.2794 1939.1354 106.8274 -205920.9776 17474.0002 0.0000 0.0000 34120.7634 -149499.8066 297.9851 -183620.5699 -149392.1979 298.6543 -209.5829 -177.2745 557813.2351 -1.3913 -1.1753 PRESSURE: 61800 40.2927 -29.6184 -62.9628 -29.6186 29.0743 33.933 -62.9632 33.9325 18.0048 GPRESSURE: 61800 65.0911 -44.3504 11.1519 84.7867 62.2568 42.0567 -88.5436 52.6987 47.7358 PRESSAVG: 61800 -7.97918 11.1124 30.2387 11.1124 -33.2565 -0.624959 30.2386 -0.624818 58.378 GPRESSAVG: 61800 -8.20148 11.727 33.4486 11.7718 -32.3505 -1.06047 26.6671 -0.785597 56.7 TIMING: 61800 CPU: 178.808, 0.00289181/step Wall: 178.808, 0.00289181/step, 3.96676 hours remaining, 201.414062 MB of memory in use. ENERGY: 61800 752.6603 2099.1850 1929.1418 113.7023 -206048.4310 17748.6614 0.0000 0.0000 33949.0400 -149456.0403 296.4854 -183405.0803 -149361.1258 298.4628 29.1239 58.3612 555984.8308 5.7141 5.3827 PRESSURE: 62000 207.912 0.170681 -118.157 0.170865 -185.772 -107.088 -118.156 -107.088 -105.465 GPRESSURE: 62000 231.561 -5.78323 -95.1998 22.8387 -117.629 -106.879 -117.862 -90.0439 -100.806 PRESSAVG: 62000 -46.9601 -53.5141 112.526 -53.5141 -9.69955 -3.43127 112.526 -3.43126 9.20915 GPRESSAVG: 62000 -46.8932 -53.796 110.817 -54.2852 -10.0302 -3.4671 115.041 -1.87564 9.38127 TIMING: 62000 CPU: 179.385, 0.00288528/step Wall: 179.385, 0.00288528/step, 3.95764 hours remaining, 201.414062 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: 62000 786.4560 2082.9436 1928.1457 113.8236 -206421.4439 17785.3363 0.0000 0.0000 34215.1882 -149509.5504 298.8097 -183724.7387 -149413.5298 297.6437 -27.7751 4.3756 557729.1942 -15.8168 -15.8474 PRESSURE: 62200 92.6857 -44.4845 34.1366 -44.4842 -97.3834 157.601 34.1352 157.602 -212.055 GPRESSURE: 62200 73.3523 -141.461 20.1277 27.4128 -69.8653 162.736 16.218 122.541 -119.412 PRESSAVG: 62200 7.3232 -1.21206 -0.742206 -1.21209 -7.54421 -34.164 -0.742187 -34.164 -32.5682 GPRESSAVG: 62200 8.11673 -2.06912 -0.403594 -1.49708 -7.31997 -31.4691 -2.1855 -35.3657 -33.5056 TIMING: 62200 CPU: 179.96, 0.00287494/step Wall: 179.96, 0.00287494/step, 3.9433 hours remaining, 201.414062 MB of memory in use. ENERGY: 62200 750.2966 2038.9367 1947.4760 112.2407 -206087.0856 17702.4055 0.0000 0.0000 34113.1198 -149422.6104 297.9184 -183535.7301 -149335.0499 297.8085 -72.2508 -38.6417 557251.2222 -10.9297 -10.9029 PRESSURE: 62400 -16.9405 -202.459 58.2502 -202.459 -101.925 -28.0039 58.2496 -28.0043 -191.472 GPRESSURE: 62400 -70.4835 -180.853 -66.5746 -202.906 -24.4517 10.2495 44.4228 -62.693 -112.578 PRESSAVG: 62400 -10.3501 -52.2115 21.1588 -52.2115 -8.54713 -25.7423 21.1588 -25.7422 -13.5672 GPRESSAVG: 62400 -10.8939 -51.6752 21.4601 -50.3754 -9.33738 -29.2241 23.5974 -25.4799 -12.6871 TIMING: 62400 CPU: 180.537, 0.00288712/step Wall: 180.537, 0.00288712/step, 3.95985 hours remaining, 201.414062 MB of memory in use. ENERGY: 62400 769.4832 2139.6649 1944.6942 94.2141 -206081.7559 17636.6093 0.0000 0.0000 34192.6594 -149304.4308 298.6130 -183497.0902 -149211.9482 298.7777 -103.4460 -69.1710 557993.0002 -10.8215 -10.9728 PRESSURE: 62600 -161.323 -177.944 90.1378 -177.943 42.4802 -137.154 90.1381 -137.154 -105.286 GPRESSURE: 62600 -117.371 -154.024 109.107 -122.733 26.5614 -232.739 71.877 -151.131 -28.9791 PRESSAVG: 62600 -51.7052 -2.1566 10.335 -2.15661 74.4474 3.91595 10.335 3.91598 -26.6189 GPRESSAVG: 62600 -53.1034 -1.34153 9.74935 -2.57814 75.8086 5.80885 8.18578 3.83075 -26.6538 TIMING: 62600 CPU: 181.115, 0.00288949/step Wall: 181.115, 0.00288949/step, 3.96294 hours remaining, 201.414062 MB of memory in use. ENERGY: 62600 734.7214 2108.2707 1939.9598 132.9111 -205946.1959 17514.1274 0.0000 0.0000 34308.7590 -149207.4465 299.6269 -183516.2055 -149107.9594 299.0824 -74.7096 -39.9294 557399.4664 -1.2922 -1.3162 PRESSURE: 62800 -164.607 -25.3327 0.0038598 -25.3325 142.322 -149.725 0.00340697 -149.723 -9.74242 GPRESSURE: 62800 -95.4127 -65.1407 60.1455 -35.3177 145.674 -123.238 -73.403 -119.783 8.43966 PRESSAVG: 62800 -94.418 -5.41753 -10.2363 -5.41756 61.0788 -60.8293 -10.2363 -60.8293 17.4222 GPRESSAVG: 62800 -93.916 -6.6079 -8.39293 -6.54522 61.1805 -61.4133 -12.1572 -62.3018 16.9346 TIMING: 62800 CPU: 181.687, 0.00286223/step Wall: 181.687, 0.00286223/step, 3.92539 hours remaining, 201.414062 MB of memory in use. ENERGY: 62800 767.5506 2121.0356 1916.6577 112.3424 -206408.5554 17806.8665 0.0000 0.0000 34414.4331 -149269.6695 300.5498 -183684.1026 -149170.9320 299.7199 -10.6761 19.5669 555901.9767 -5.3057 -5.2670 PRESSURE: 63000 2.42989 84.8543 154.094 84.8545 84.8464 61.4148 154.094 61.4128 -116.802 GPRESSURE: 63000 8.41989 37.8758 215.151 61.8375 128.173 96.251 41.2187 -7.50008 -76.7631 PRESSAVG: 63000 -96.0773 -26.0115 15.9675 -26.0115 13.537 -74.0655 15.9675 -74.0655 61.0914 GPRESSAVG: 63000 -95.1988 -26.2681 15.4553 -25.1095 12.3687 -71.9679 16.8554 -74.565 60.6666 TIMING: 63000 CPU: 182.264, 0.00288424/step Wall: 182.264, 0.00288424/step, 3.95542 hours remaining, 201.414062 MB of memory in use. ENERGY: 63000 724.6977 2128.7712 1929.9619 114.4482 -206263.9211 17868.9061 0.0000 0.0000 34333.8650 -149163.2712 299.8462 -183497.1362 -149072.0686 299.8381 -9.8421 19.9434 557079.6423 -7.1497 -7.3878 PRESSURE: 63200 142.287 -59.7322 -81.7758 -59.7323 396.221 6.34575 -81.7758 6.34515 183.076 GPRESSURE: 63200 169.769 -57.1007 -102.685 -70.9658 411.044 -38.7349 -117.23 -108.768 229.377 PRESSAVG: 63200 -36.3444 22.0694 14.2992 22.0693 56.4082 -70.0038 14.2991 -70.0039 -27.5709 GPRESSAVG: 63200 -36.1371 24.5438 12.212 20.0398 55.7264 -71.8722 18.0495 -68.7173 -26.772 TIMING: 63200 CPU: 182.844, 0.00289717/step Wall: 182.844, 0.00289717/step, 3.97298 hours remaining, 201.414062 MB of memory in use. ENERGY: 63200 734.4158 2098.7056 1951.5207 118.4629 -206430.4724 18049.4056 0.0000 0.0000 34353.7650 -149124.1968 300.0200 -183477.9617 -149024.4911 299.1908 240.5282 270.0631 555977.2585 -2.5024 -2.3942 PRESSURE: 63400 4.22743 -86.9912 26.1773 -86.9914 -47.7463 93.1003 26.1775 93.0994 4.37897 GPRESSURE: 63400 2.29028 -55.9771 -17.0012 -46.8723 4.01303 26.2537 91.4377 56.3628 62.7231 PRESSAVG: 63400 36.8612 -53.1375 -11.4454 -53.1374 7.34793 -22.0671 -11.4454 -22.0673 -10.5554 GPRESSAVG: 63400 36.3133 -55.0533 -10.9944 -51.0567 7.87706 -21.7275 -14.5588 -22.2155 -10.6065 TIMING: 63400 CPU: 183.419, 0.00287478/step Wall: 183.419, 0.00287478/step, 3.94212 hours remaining, 201.414062 MB of memory in use. ENERGY: 63400 735.5035 2116.6051 1929.9979 101.6700 -206415.0732 17901.0412 0.0000 0.0000 34289.2124 -149341.0430 299.4562 -183630.2555 -149242.6277 299.2563 -13.0466 23.0088 556980.5628 11.2179 11.1946 PRESSURE: 63600 -33.874 9.75396 -187.079 9.75394 178.541 -172.482 -187.079 -172.482 12.2759 GPRESSURE: 63600 10.9832 0.0867359 -175.276 -21.7698 246.017 -145.12 -129.715 -130.616 -1.20097 PRESSAVG: 63600 -61.3446 -5.87221 -41.7986 -5.87218 30.3735 43.8668 -41.7986 43.8668 -24.0465 GPRESSAVG: 63600 -61.3254 -6.03716 -40.5137 -6.1819 31.5247 44.9026 -40.7404 42.881 -25.5773 TIMING: 63600 CPU: 183.992, 0.00286877/step Wall: 183.992, 0.00286877/step, 3.93372 hours remaining, 201.414062 MB of memory in use. ENERGY: 63600 751.2591 2054.5910 1912.7190 121.2926 -206314.6307 17905.7233 0.0000 0.0000 34308.8448 -149260.2009 299.6277 -183569.0457 -149159.9362 298.8870 52.3144 85.2663 557168.3259 -18.3392 -18.4593 PRESSURE: 63800 227.433 41.5682 103.569 41.5676 86.0606 107.336 103.569 107.336 85.8467 GPRESSURE: 63800 240.697 156.451 75.3393 -4.94518 163.736 22.203 84.3627 60.4173 79.2615 PRESSAVG: 63800 1.99385 -2.06009 1.56229 -2.06002 24.9824 -85.9023 1.56237 -85.9023 27.4374 GPRESSAVG: 63800 1.13775 -1.4225 1.73715 -4.61818 24.7926 -85.7259 -0.357317 -84.8775 27.9325 TIMING: 63800 CPU: 184.566, 0.00286908/step Wall: 184.566, 0.00286908/step, 3.93399 hours remaining, 201.414062 MB of memory in use. ENERGY: 63800 741.2871 2132.1333 1929.8660 109.4088 -206271.7585 17886.8269 0.0000 0.0000 34300.0732 -149172.1633 299.5511 -183472.2365 -149076.8940 299.9528 133.1135 161.2316 557043.3750 18.1379 17.9543 PRESSURE: 64000 -202.79 87.5145 93.8909 87.5139 -77.6764 68.463 93.8915 68.4632 -134.891 GPRESSURE: 64000 -124.272 91.4954 110.383 64.3659 -68.2001 11.9626 85.0112 69.6053 -125.623 PRESSAVG: 64000 25.8999 -1.96436 33.7402 -1.96431 2.04618 -20.3384 33.7402 -20.3384 -44.347 GPRESSAVG: 64000 26.4675 -1.90738 33.7165 0.474557 2.33196 -20.8185 35.288 -20.2736 -44.9852 TIMING: 64000 CPU: 185.142, 0.00287752/step Wall: 185.142, 0.00287752/step, 3.9454 hours remaining, 201.414062 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: 64000 730.3675 2115.3422 1959.4677 116.1737 -205787.2425 17484.7481 0.0000 0.0000 34221.4261 -149159.7171 298.8642 -183381.1432 -149057.0060 299.4208 -138.4524 -106.0319 557221.2337 -5.4670 -5.3952 PRESSURE: 64200 -27.0024 250.626 -56.2583 250.627 2.6693 -87.9571 -56.2575 -87.9575 -101.641 GPRESSURE: 64200 30.2827 268.238 -48.8363 250.061 -8.88465 -54.5901 41.8705 -41.6419 -62.9962 PRESSAVG: 64200 65.7791 14.9836 22.1968 14.9836 10.2079 6.74654 22.1969 6.7466 -59.5669 GPRESSAVG: 64200 66.3667 15.1379 22.3734 15.3376 8.7731 7.04707 22.2524 7.68587 -59.39 TIMING: 64200 CPU: 185.718, 0.00288056/step Wall: 185.718, 0.00288056/step, 3.9494 hours remaining, 201.414062 MB of memory in use. ENERGY: 64200 764.0161 2132.7800 1965.5660 111.0485 -205807.8634 17723.3598 0.0000 0.0000 34246.8395 -148864.2535 299.0862 -183111.0930 -148768.7726 300.2291 -41.9912 -13.8660 557868.3066 5.4734 5.2499 LDB: ============= START OF LOAD BALANCING ============== 189.101 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 189.101 LDB: =============== DONE WITH MIGRATION ================ 189.102 LDB: ============= START OF LOAD BALANCING ============== 189.39 LDB: Largest compute 4820 load 0.024638 is 20.9% of average load 0.117832 LDB: Average compute 0.001703 is 1.4% of average load 0.117832 LDB: TIME 189.393 LOAD: AVG 0.117832 MAX 0.178861 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.66 MB LDB: TIME 189.393 LOAD: AVG 0.117832 MAX 0.178861 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.73 MB LDB: TIME 189.393 LOAD: AVG 0.117832 MAX 0.178861 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 189.395 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 189.399 PRESSURE: 64400 -38.514 6.92658 69.602 6.92752 0.128826 143.564 69.6029 143.563 -144.122 GPRESSURE: 64400 19.8563 46.4501 0.376862 26.7734 -19.4075 71.9015 165.779 158.661 -91.0207 PRESSAVG: 64400 -40.2722 10.2874 30.9873 10.2875 56.4403 5.00761 30.9873 5.00779 -18.0684 GPRESSAVG: 64400 -40.3721 9.04939 30.5854 10.9443 56.1984 4.92644 32.1754 3.50517 -17.2391 TIMING: 64400 CPU: 186.303, 0.00292639/step Wall: 186.303, 0.00292639/step, 4.01208 hours remaining, 199.015625 MB of memory in use. ENERGY: 64400 758.1913 2077.4480 1927.6994 113.0106 -205892.1214 17838.8003 0.0000 0.0000 34338.4584 -148838.5133 299.8863 -183176.9717 -148745.6818 300.2334 -60.8358 -30.1906 559812.0374 -0.6334 -0.4709 PRESSURE: 64600 -218.76 105.252 100.867 105.251 -216.174 86.481 100.866 86.4824 -3.12825 GPRESSURE: 64600 -140.555 108.288 93.4786 159.109 -183.199 8.06644 115.046 139.631 -21.0385 PRESSAVG: 64600 -57.215 -19.3093 27.7504 -19.3093 54.6704 -39.039 27.7505 -39.0389 22.8258 GPRESSAVG: 64600 -57.4368 -18.0751 28.55 -20.0276 56.1224 -39.3317 27.2106 -39.5561 22.1832 TIMING: 64600 CPU: 186.877, 0.00286811/step Wall: 186.877, 0.00286811/step, 3.93202 hours remaining, 199.015625 MB of memory in use. ENERGY: 64600 773.6311 2116.2524 1925.2784 115.4473 -206055.7151 17799.5647 0.0000 0.0000 34585.1535 -148740.3875 302.0407 -183325.5410 -148640.4919 301.2535 -146.0207 -114.9307 559165.9513 6.7604 6.9563 PRESSURE: 64800 -99.0327 162.877 -16.7233 162.876 -48.2856 -107.139 -16.7227 -107.14 -158.003 GPRESSURE: 64800 -59.4992 138.809 23.1395 121.522 2.9851 -123.664 -88.4547 -79.9588 -162.316 PRESSAVG: 64800 -12.8869 -26.9874 6.34754 -26.9873 53.2208 -36.0911 6.34753 -36.0911 -68.092 GPRESSAVG: 64800 -13.2989 -27.9294 8.48861 -27.0875 53.7241 -34.8685 5.01169 -36.9127 -67.7407 TIMING: 64800 CPU: 187.455, 0.00289171/step Wall: 187.455, 0.00289171/step, 3.96421 hours remaining, 199.015625 MB of memory in use. ENERGY: 64800 746.2691 2106.2300 1912.3788 97.4239 -205906.2898 17624.5909 0.0000 0.0000 34646.1105 -148773.2867 302.5731 -183419.3971 -148666.0657 300.7038 -101.7737 -72.9434 560014.3164 -9.2527 -9.1052 PRESSURE: 65000 -299.205 -52.5971 43.7242 -52.5966 41.1435 10.2038 43.7223 10.2037 -22.4729 GPRESSURE: 65000 -225.707 -40.4086 21.8758 -124.247 17.9244 -6.03204 50.1833 15.5751 25.8798 PRESSAVG: 65000 -6.30068 -6.92579 -39.0301 -6.92578 -2.04689 -33.0457 -39.0301 -33.0457 10.3571 GPRESSAVG: 65000 -5.57263 -5.77732 -41.37 -9.15878 -3.23873 -33.4018 -39.3222 -30.2104 10.6508 TIMING: 65000 CPU: 188.035, 0.00289952/step Wall: 188.035, 0.00289952/step, 3.97476 hours remaining, 199.015625 MB of memory in use. ENERGY: 65000 734.2701 2186.5885 1924.6280 117.7574 -205903.9469 17559.3028 0.0000 0.0000 34427.5657 -148953.8344 300.6645 -183381.4001 -148853.8148 299.9173 -93.5114 -60.6342 557741.4496 0.6699 0.6131 PRESSURE: 65200 -5.96485 -8.80648 -87.3613 -8.80815 -66.4305 79.0102 -87.3609 79.0095 -218.716 GPRESSURE: 65200 -3.87755 26.5263 -36.2203 61.6763 -2.47104 43.6732 -145.795 110.44 -204.375 PRESSAVG: 65200 -7.64688 23.5656 -36.211 23.5656 -32.7606 35.2957 -36.2109 35.2956 24.9492 GPRESSAVG: 65200 -8.719 22.9879 -35.7495 25.9099 -31.6618 34.6186 -35.8509 34.0723 25.2062 TIMING: 65200 CPU: 188.611, 0.00287957/step Wall: 188.611, 0.00287957/step, 3.94725 hours remaining, 199.015625 MB of memory in use. ENERGY: 65200 733.4309 2116.3186 1932.4087 102.4954 -205937.4616 17532.0464 0.0000 0.0000 34534.9935 -148985.7682 301.6027 -183520.7617 -148883.6973 300.3895 -97.0370 -70.2410 558062.9780 -5.1527 -5.0582 PRESSURE: 65400 -150.713 242.584 -88.3938 242.584 28.0145 100.28 -88.394 100.28 -81.7501 GPRESSURE: 65400 -96.2504 276.973 -202.908 227.677 23.441 127.749 8.17063 40.4832 -29.3906 PRESSAVG: 65400 4.91947 65.971 -23.3717 65.9708 67.559 -5.21761 -23.3718 -5.2178 -35.5074 GPRESSAVG: 65400 6.60389 66.6759 -26.1886 63.7092 66.4598 -5.56846 -21.9987 -6.21224 -35.4823 TIMING: 65400 CPU: 189.188, 0.00288518/step Wall: 189.188, 0.00288518/step, 3.95478 hours remaining, 199.226562 MB of memory in use. ENERGY: 65400 742.6004 2081.0068 1897.9744 112.1351 -205731.5898 17614.7869 0.0000 0.0000 34358.3536 -148924.7326 300.0600 -183283.0863 -148829.0172 300.0795 -68.1496 -34.0667 558029.2012 12.3237 12.5271 PRESSURE: 65600 -16.1394 130.578 9.48177 130.578 -134.404 13.6661 9.48286 13.6664 -18.032 GPRESSURE: 65600 11.025 107.247 -40.8243 85.1912 -77.7672 -24.6027 78.3892 -24.2392 1.27015 PRESSAVG: 65600 -0.0536334 -31.4372 14.7902 -31.4372 16.1003 49.8088 14.7903 49.8088 4.98176 GPRESSAVG: 65600 -1.13899 -31.291 16.1498 -30.4889 17.0136 51.4787 13.6375 49.7078 5.20309 TIMING: 65600 CPU: 189.766, 0.00288923/step Wall: 189.766, 0.00288923/step, 3.96017 hours remaining, 199.226562 MB of memory in use. ENERGY: 65600 734.0342 2139.1361 1913.2912 113.5234 -206097.8628 17685.6953 0.0000 0.0000 34615.1538 -148897.0287 302.3027 -183512.1825 -148802.4683 299.9346 -56.1917 -21.8240 557961.2202 7.0095 7.0259 PRESSURE: 65800 -158.812 118.464 -68.4706 118.465 65.3904 54.4199 -68.472 54.4196 -53.47 GPRESSURE: 65800 -76.4521 180.164 -2.01541 45.9323 125.444 70.9901 -20.44 54.9793 -100.216 PRESSAVG: 65800 -24.0468 37.7471 29.572 37.7472 19.0631 13.8246 29.5719 13.8246 2.26826 GPRESSAVG: 65800 -23.5791 40.1035 29.2317 35.275 18.9515 13.4558 30.553 13.2392 2.07569 TIMING: 65800 CPU: 190.342, 0.00287988/step Wall: 190.342, 0.00287988/step, 3.94719 hours remaining, 199.226562 MB of memory in use. ENERGY: 65800 740.2457 2156.8672 1955.4820 115.9500 -205999.0148 17704.0884 0.0000 0.0000 34305.4511 -149020.9303 299.5980 -183326.3814 -148920.8109 300.2501 -48.9638 -17.0749 556706.3412 -0.9052 -0.8507 PRESSURE: 66000 -265.195 -35.835 -41.684 -35.8347 -114.999 -21.3163 -41.6839 -21.3173 -294.007 GPRESSURE: 66000 -276.725 -38.694 -46.1495 -51.2603 -32.2074 -4.02544 -77.1979 25.974 -272.541 PRESSAVG: 66000 10.3672 19.7228 -56.9375 19.7228 6.60203 -43.5222 -56.9374 -43.5223 -6.77001 GPRESSAVG: 66000 11.5041 15.5006 -57.3014 20.9547 5.52014 -42.8774 -56.5409 -41.9101 -7.53602 TIMING: 66000 CPU: 190.92, 0.00288985/step Wall: 190.92, 0.00288985/step, 3.9607 hours remaining, 199.226562 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: 66000 735.1006 2153.6893 1947.4204 121.2889 -206006.4510 17531.1566 0.0000 0.0000 34231.2976 -149286.4977 298.9504 -183517.7952 -149186.1360 299.8571 -224.7336 -193.8242 557439.8293 3.3997 3.1627 PRESSURE: 66200 121.895 39.4683 17.9316 39.4683 -15.7218 -26.1456 17.9328 -26.146 435.373 GPRESSURE: 66200 196.307 -2.62953 -27.654 9.70517 7.20934 -41.0664 -21.8641 -5.41446 427.28 PRESSAVG: 66200 62.1083 18.9019 -72.525 18.902 -15.2909 -18.3919 -72.525 -18.3919 -26.4681 GPRESSAVG: 66200 61.005 21.3971 -72.5222 19.03 -14.8566 -21.1865 -74.7015 -16.7567 -25.5499 TIMING: 66200 CPU: 191.499, 0.00289764/step Wall: 191.499, 0.00289764/step, 3.97122 hours remaining, 199.226562 MB of memory in use. ENERGY: 66200 749.7668 2073.4291 1934.7594 112.3293 -206046.4874 17689.5674 0.0000 0.0000 34232.6394 -149253.9959 298.9622 -183486.6353 -149150.7008 298.9324 180.5153 210.2655 555470.5538 6.7831 6.8661 PRESSURE: 66400 80.0204 106.602 -139.774 106.601 -46.7255 -71.775 -139.775 -71.7747 -12.6882 GPRESSURE: 66400 137.055 158.583 -65.5247 79.2836 -29.5503 -102.207 -164.066 -17.1853 7.20018 PRESSAVG: 66400 19.1596 -36.1178 -12.1414 -36.1178 -94.3573 -14.6599 -12.1415 -14.6599 70.4764 GPRESSAVG: 66400 19.8337 -37.067 -11.6172 -36.5391 -94.8973 -12.8789 -10.298 -16.93 69.8891 TIMING: 66400 CPU: 192.075, 0.0028799/step Wall: 192.075, 0.0028799/step, 3.94674 hours remaining, 199.226562 MB of memory in use. ENERGY: 66400 750.9596 2070.8394 1965.2829 106.0949 -206226.5908 17889.9769 0.0000 0.0000 34181.1097 -149262.3273 298.5121 -183443.4370 -149158.1758 299.3169 6.8689 38.2349 557761.8962 -1.5738 -1.7248 PRESSURE: 66600 97.5661 -182.707 -34.0835 -182.706 214.018 -97.7038 -34.0832 -97.7029 -38.2764 GPRESSURE: 66600 116.012 -175.234 -55.8774 -290.925 239.798 -141.789 -38.0715 -81.7629 23.5142 PRESSAVG: 66600 8.09442 -15.8148 -46.8711 -15.8148 9.16356 -21.441 -46.8711 -21.441 -22.6024 GPRESSAVG: 66600 6.40174 -14.859 -46.7472 -16.0874 11.2027 -22.4663 -48.2997 -21.9486 -22.6023 TIMING: 66600 CPU: 192.652, 0.0028841/step Wall: 192.652, 0.0028841/step, 3.95234 hours remaining, 199.226562 MB of memory in use. ENERGY: 66600 729.2187 2063.3232 1929.1246 114.4554 -205982.1341 17880.3413 0.0000 0.0000 34173.4756 -149092.1952 298.4455 -183265.6708 -148993.7805 299.5589 91.1026 126.4414 556790.5631 -1.7815 -1.6659 PRESSURE: 66800 -110.203 35.0066 103.223 35.0074 -102.841 8.25503 103.223 8.25661 -187.797 GPRESSURE: 66800 26.1502 -2.91171 113.483 90.3594 -121.056 19.1718 29.2119 -79.1396 -210.378 PRESSAVG: 66800 -26.4536 8.12433 9.42653 8.12431 11.1377 -21.5967 9.42654 -21.5967 15.4582 GPRESSAVG: 66800 -24.9877 6.34162 9.42189 9.60135 9.7175 -21.6657 10.8292 -19.7538 15.275 TIMING: 66800 CPU: 193.232, 0.00289725/step Wall: 193.232, 0.00289725/step, 3.9702 hours remaining, 199.226562 MB of memory in use. ENERGY: 66800 785.6890 2100.5079 1936.2006 112.4109 -205835.1081 17678.9425 0.0000 0.0000 34295.6099 -148925.7473 299.5121 -183221.3571 -148831.6143 299.4508 -133.6138 -101.7615 557175.6969 0.0474 0.0016 PRESSURE: 67000 -2.37665 74.6385 162.216 74.639 88.4918 -17.2053 162.215 -17.2059 -133.481 GPRESSURE: 67000 77.2778 51.4792 178.228 36.9969 130.247 -147.082 209.068 24.3319 -162.604 PRESSAVG: 67000 -17.8231 4.52733 13.4298 4.52722 10.2571 18.2026 13.4297 18.2027 12.4474 GPRESSAVG: 67000 -17.6168 3.83158 15.0725 4.06206 10.5997 18.6871 12.5916 18.2603 12.1692 TIMING: 67000 CPU: 193.807, 0.00287645/step Wall: 193.807, 0.00287645/step, 3.94153 hours remaining, 199.226562 MB of memory in use. ENERGY: 67000 703.7455 2070.8799 1945.6356 118.6318 -205930.4538 17546.6764 0.0000 0.0000 34618.6836 -148926.2011 302.3336 -183544.8847 -148829.5652 300.4300 -15.7887 14.9737 557858.0734 1.6271 1.7173 PRESSURE: 67200 -145.308 86.1777 -60.0903 86.1773 -74.745 16.1388 -60.092 16.1388 -326.817 GPRESSURE: 67200 -95.6669 145.597 -31.9758 89.7349 -55.6096 112.669 -60.1544 -24.5271 -298.805 PRESSAVG: 67200 -8.22218 23.239 -39.1832 23.239 10.9792 66.5416 -39.1831 66.5415 21.4833 GPRESSAVG: 67200 -8.23295 22.3501 -39.1043 23.881 10.5181 65.5405 -39.7968 66.2261 22.0843 TIMING: 67200 CPU: 194.382, 0.00287361/step Wall: 194.382, 0.00287361/step, 3.93749 hours remaining, 199.226562 MB of memory in use. ENERGY: 67200 743.6969 2089.4384 1938.6843 113.3924 -205780.1921 17389.5005 0.0000 0.0000 34523.8151 -148981.6646 301.5051 -183505.4796 -148890.6650 300.3663 -182.2901 -150.0272 557147.1180 8.0801 8.1232 PRESSURE: 67400 -79.5548 -124.054 4.36928 -124.054 20.9254 42.2167 4.37049 42.2145 91.9939 GPRESSURE: 67400 -61.8071 -37.3781 -44.8143 -143.49 55.2409 102.539 -33.7882 56.3914 121.382 PRESSAVG: 67400 24.2752 24.8227 -11.9097 24.8227 -44.122 -22.099 -11.9096 -22.0991 34.6138 GPRESSAVG: 67400 23.3377 27.7303 -13.264 25.2867 -43.9437 -22.035 -11.7336 -22.1487 34.8807 TIMING: 67400 CPU: 194.956, 0.00287346/step Wall: 194.956, 0.00287346/step, 3.93712 hours remaining, 199.226562 MB of memory in use. ENERGY: 67400 729.9699 2110.5642 1957.5208 124.2106 -206171.7963 17786.0786 0.0000 0.0000 34246.1128 -149217.3394 299.0798 -183463.4522 -149116.6167 300.1626 11.1215 38.2718 557355.3816 4.9224 4.7582 PRESSURE: 67600 23.4121 20.661 -18.9072 20.6617 19.0769 -53.9595 -18.9066 -53.9566 85.7603 GPRESSURE: 67600 16.5969 75.5858 22.673 -16.4486 78.4321 22.0894 -23.5523 -87.9194 125.082 PRESSAVG: 67600 -9.9614 28.272 19.1273 28.272 -53.2192 42.4394 19.1273 42.4393 42.2141 GPRESSAVG: 67600 -9.64185 27.3706 19.6705 27.5942 -53.1035 44.0259 18.5975 40.181 42.0655 TIMING: 67600 CPU: 195.529, 0.0028663/step Wall: 195.529, 0.0028663/step, 3.92714 hours remaining, 199.289062 MB of memory in use. ENERGY: 67600 731.3639 2125.5869 1929.4953 114.9010 -206138.9638 17829.0252 0.0000 0.0000 34292.6687 -149115.9228 299.4864 -183408.5915 -149020.9837 299.2436 42.7498 73.3704 556763.0937 -6.9888 -6.8933 PRESSURE: 67800 -84.3058 -102.881 44.2662 -102.879 -284.137 244.815 44.2658 244.814 -144.615 GPRESSURE: 67800 -25.2156 -35.0225 -28.3326 -107.021 -274.909 283.346 75.2621 182.624 -116.243 PRESSAVG: 67800 -4.92221 36.7689 -13.0124 36.769 -40.9194 6.31135 -13.0125 6.31142 56.5393 GPRESSAVG: 67800 -5.61891 37.3532 -14.0746 36.0747 -40.5876 6.83042 -12.9984 7.0953 56.2955 TIMING: 67800 CPU: 196.103, 0.00286757/step Wall: 196.103, 0.00286757/step, 3.92873 hours remaining, 199.289062 MB of memory in use. ENERGY: 67800 745.9683 2117.0569 1969.3137 118.0551 -205926.5792 17438.2902 0.0000 0.0000 34261.7238 -149276.1712 299.2162 -183537.8950 -149186.6673 299.0913 -171.0192 -138.7892 556324.5517 3.5659 3.3630 PRESSURE: 68000 -25.9229 -24.5936 -20.2696 -24.5921 -281.558 -53.5644 -20.2696 -53.5641 -72.7247 GPRESSURE: 68000 4.22858 -66.2314 44.2344 57.9975 -244.978 -33.1734 -57.7887 -56.0726 -29.6187 PRESSAVG: 68000 -25.2866 37.8289 12.6511 37.8291 -5.45826 -42.0556 12.6511 -42.0557 16.8815 GPRESSAVG: 68000 -24.6963 36.2049 12.1006 39.8886 -5.10102 -44.322 13.5587 -40.0939 15.9658 TIMING: 68000 CPU: 196.681, 0.00288984/step Wall: 196.681, 0.00288984/step, 3.95908 hours remaining, 199.289062 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: 68000 752.7165 2071.6561 1971.0206 106.3766 -206249.4663 17763.1094 0.0000 0.0000 34192.7182 -149391.8689 298.6135 -183584.5871 -149295.3518 299.0210 -126.7352 -90.1226 556359.3861 -4.6211 -4.6105 PRESSURE: 68200 -178.929 85.8145 151.596 85.814 10.0686 29.4859 151.596 29.485 -13.7769 GPRESSURE: 68200 -123.268 92.1639 222.169 154.45 -2.05338 43.5067 95.3944 17.4568 45.4166 PRESSAVG: 68200 -57.8156 -34.4968 -20.0633 -34.4967 -26.0263 -5.27369 -20.0633 -5.27348 59.5263 GPRESSAVG: 68200 -57.6024 -33.1268 -19.3992 -36.1923 -26.9372 -5.36916 -20.2537 -6.20849 59.7875 TIMING: 68200 CPU: 197.261, 0.00290045/step Wall: 197.261, 0.00290045/step, 3.97346 hours remaining, 199.289062 MB of memory in use. ENERGY: 68200 758.8493 2129.2458 1940.7334 125.1530 -206032.2700 17667.7754 0.0000 0.0000 34192.8260 -149217.6872 298.6145 -183410.5132 -149122.0100 298.6786 -60.8791 -26.6350 558449.8289 -8.1052 -8.2507 LDB: ============= START OF LOAD BALANCING ============== 200.647 LDB: ============== END OF LOAD BALANCING =============== 200.647 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 200.648 LDB: ============= START OF LOAD BALANCING ============== 200.939 LDB: Largest compute 4820 load 0.023987 is 20.4% of average load 0.117837 LDB: Average compute 0.001708 is 1.4% of average load 0.117837 LDB: TIME 200.941 LOAD: AVG 0.117837 MAX 0.17945 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.34 MB LDB: TIME 200.942 LOAD: AVG 0.117837 MAX 0.17945 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.344 MB LDB: TIME 200.942 LOAD: AVG 0.117837 MAX 0.17945 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 200.944 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 200.948 PRESSURE: 68400 93.8236 -40.4635 -27.6 -40.4634 -61.3503 134.56 -27.5994 134.559 229.03 GPRESSURE: 68400 141.261 -99.8049 -82.5875 -18.8307 -64.4739 74.9504 -65.3936 252.982 286.793 PRESSAVG: 68400 26.1848 23.1891 -7.24532 23.1891 -5.24698 10.5601 -7.24525 10.5601 -14.4857 GPRESSAVG: 68400 25.7497 21.325 -7.70803 23.9034 -4.38012 10.8792 -7.47712 10.2369 -14.2986 TIMING: 68400 CPU: 197.852, 0.0029555/step Wall: 197.852, 0.0029555/step, 4.0487 hours remaining, 199.546875 MB of memory in use. ENERGY: 68400 737.2204 2152.1021 1914.3943 110.3597 -206369.3897 17928.8390 0.0000 0.0000 34284.0890 -149242.3851 299.4115 -183526.4741 -149152.9882 299.5085 87.1678 121.1933 556782.3867 2.1507 2.3570 PRESSURE: 68600 -5.12793 91.8741 135.273 91.8753 -22.857 -66.288 135.275 -66.2882 -103.543 GPRESSURE: 68600 -47.7916 90.2697 95.7789 81.6731 43.0455 -116.372 135.479 -68.0026 -41.7213 PRESSAVG: 68600 6.35268 31.4277 -10.9698 31.4277 -42.2682 20.5538 -10.9698 20.5538 24.2593 GPRESSAVG: 68600 7.2446 31.7162 -10.9954 29.9 -43.7083 19.6947 -10.3319 20.5417 25.335 TIMING: 68600 CPU: 198.429, 0.002886/step Wall: 198.429, 0.002886/step, 3.95335 hours remaining, 199.546875 MB of memory in use. ENERGY: 68600 736.8270 2197.1137 1938.5551 109.7055 -206191.0709 17756.2363 0.0000 0.0000 34252.3090 -149200.3243 299.1339 -183452.6333 -149096.8640 298.9351 -43.8428 -15.4891 557889.2664 -3.8854 -3.7096 PRESSURE: 68800 -93.3598 -14.2187 -27.1903 -14.2188 -48.5973 179.548 -27.1906 179.548 -27.164 GPRESSURE: 68800 -50.0658 50.8572 -100.76 -31.243 -6.3924 96.5062 27.863 148.453 -7.33373 PRESSAVG: 68800 -6.26276 4.09527 7.94342 4.09523 12.1949 -33.464 7.94334 -33.464 -28.3338 GPRESSAVG: 68800 -5.96866 4.52334 6.59631 5.44666 13.1861 -32.2465 8.81721 -34.5044 -29.2273 TIMING: 68800 CPU: 199.007, 0.00288962/step Wall: 199.007, 0.00288962/step, 3.95814 hours remaining, 199.546875 MB of memory in use. ENERGY: 68800 724.4960 2143.6493 1953.4315 118.2684 -206205.7179 17829.6361 0.0000 0.0000 34481.2317 -148955.0051 301.1332 -183436.2368 -148857.2144 299.5164 -56.3737 -21.2640 557968.6533 -7.4672 -7.3366 PRESSURE: 69000 -64.9996 -13.2039 57.837 -13.2023 13.7055 -17.9903 57.8378 -17.9871 -173.482 GPRESSURE: 69000 -66.2551 -14.9129 -28.5894 -112.943 63.2153 -70.8073 66.6667 -12.9162 -113.011 PRESSAVG: 69000 4.74726 3.15315 -12.427 3.1532 -9.95089 5.69848 -12.4269 5.69844 -3.43089 GPRESSAVG: 69000 5.11488 4.48426 -10.8099 0.677875 -10.855 4.68551 -10.4665 5.42101 -3.44916 TIMING: 69000 CPU: 199.581, 0.00286916/step Wall: 199.581, 0.00286916/step, 3.92995 hours remaining, 199.546875 MB of memory in use. ENERGY: 69000 758.2941 2103.0582 1959.3738 117.1205 -206123.0552 17825.0237 0.0000 0.0000 34402.4378 -148957.7470 300.4450 -183360.1848 -148848.6241 299.1489 -74.9255 -38.6837 558510.6122 -2.8782 -3.0631 PRESSURE: 69200 64.552 132.034 -52.4094 132.035 -43.3994 -34.4988 -52.4098 -34.499 -141.355 GPRESSURE: 69200 103.698 40.0132 -29.054 175.491 -60.5228 27.6781 -28.1054 -97.473 -69.2442 PRESSAVG: 69200 -22.5328 14.083 -3.36407 14.0831 42.5678 -24.538 -3.36394 -24.5379 1.32031 GPRESSAVG: 69200 -22.5803 14.8334 -2.54562 14.753 42.1702 -23.2976 -5.8966 -24.2165 2.24454 TIMING: 69200 CPU: 200.162, 0.00290622/step Wall: 200.162, 0.00290622/step, 3.98055 hours remaining, 199.546875 MB of memory in use. ENERGY: 69200 729.2050 2103.1866 1930.8098 110.9378 -205906.6383 17736.9867 0.0000 0.0000 34354.7108 -148940.8017 300.0282 -183295.5125 -148852.4972 299.4999 -40.0675 -8.6895 559487.0434 7.1184 7.2781 PRESSURE: 69400 168.469 167.449 59.3178 167.449 58.2519 109.127 59.3182 109.128 157.537 GPRESSURE: 69400 212.686 103.986 145.477 174.507 94.563 196.883 55.8099 58.6849 171.42 PRESSAVG: 69400 -74.8678 -4.29043 -0.389612 -4.29045 59.3739 44.8955 -0.38973 44.8955 23.5307 GPRESSAVG: 69400 -75.023 -5.80223 -1.7211 -4.8768 60.1786 42.9533 1.33865 44.7771 22.2375 TIMING: 69400 CPU: 200.744, 0.00290624/step Wall: 200.744, 0.00290624/step, 3.98041 hours remaining, 199.546875 MB of memory in use. ENERGY: 69400 762.2746 2049.8419 1946.2359 119.4929 -206406.5041 18019.5016 0.0000 0.0000 34480.4590 -149028.6983 301.1264 -183509.1572 -148933.7518 300.3375 128.0860 159.5564 557055.2096 2.6789 2.4644 PRESSURE: 69600 -266.424 47.5143 -40.2268 47.5136 193.404 93.5793 -40.2254 93.5785 -114.166 GPRESSURE: 69600 -236.12 26.2068 -45.6518 72.9861 216.221 52.9731 -41.0468 -2.41223 -68.7075 PRESSAVG: 69600 -34.5739 18.3486 24.7161 18.3485 77.4095 29.0832 24.716 29.083 -25.732 GPRESSAVG: 69600 -35.0186 19.9516 22.9737 19.2572 77.5663 29.0173 24.9033 28.3264 -24.8407 TIMING: 69600 CPU: 201.316, 0.00286261/step Wall: 201.316, 0.00286261/step, 3.92051 hours remaining, 199.546875 MB of memory in use. ENERGY: 69600 769.8370 2098.7611 1939.4019 127.2443 -206227.5453 17921.1799 0.0000 0.0000 34235.8320 -149135.2890 298.9900 -183371.1211 -149042.3169 299.6997 -62.3952 -29.5352 558310.6288 5.7012 5.9023 PRESSURE: 69800 -24.6492 -66.511 22.7897 -66.5122 262.624 40.4552 22.7886 40.4554 -111.156 GPRESSURE: 69800 -1.39857 18.0411 57.45 -131.277 240.334 -25.13 -100.052 93.6594 -11.8924 PRESSAVG: 69800 -33.8147 -5.55677 -47.951 -5.55676 9.65399 17.5904 -47.9509 17.5904 43.2557 GPRESSAVG: 69800 -34.0585 -7.25596 -46.7339 -7.25641 9.34538 19.2492 -49.8485 17.2182 43.9264 TIMING: 69800 CPU: 201.892, 0.00287734/step Wall: 201.892, 0.00287734/step, 3.94051 hours remaining, 199.546875 MB of memory in use. ENERGY: 69800 758.4467 2102.4445 1940.4439 107.7023 -206218.2688 18005.1779 0.0000 0.0000 34060.6534 -149243.4000 297.4602 -183304.0534 -149145.1687 299.1316 42.2731 75.6809 559016.8345 6.3650 6.4044 PRESSURE: 70000 -238.812 51.1147 71.177 51.1151 -283.455 -31.8627 71.175 -31.8618 -140.83 GPRESSURE: 70000 -221.15 69.4792 94.646 73.9436 -248.449 -116.576 26.5599 -30.7329 -97.012 PRESSAVG: 70000 -20.8286 -15.0985 -21.6619 -15.0985 -39.5402 75.3082 -21.6618 75.3081 45.1056 GPRESSAVG: 70000 -19.5298 -14.7603 -21.8913 -14.2613 -39.045 73.0848 -21.159 77.2247 43.1802 TIMING: 70000 CPU: 202.466, 0.0028744/step Wall: 202.466, 0.0028744/step, 3.93634 hours remaining, 199.546875 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: 70000 771.1705 2045.1185 1941.8618 123.6331 -205777.7349 17551.6375 0.0000 0.0000 33975.4504 -149368.8630 296.7161 -183344.3135 -149269.9312 297.9901 -221.0325 -188.8705 559492.1680 -5.0877 -5.1315 PRESSURE: 70200 -174.155 186.476 -166.045 186.475 -201.129 131.257 -166.044 131.258 -5.56843 GPRESSURE: 70200 -108.387 101.668 -235.521 148.606 -164.661 79.7569 -82.7035 151.152 -7.41017 PRESSAVG: 70200 -27.4982 27.6882 8.81951 27.6882 85.5705 1.22276 8.81946 1.22274 -29.1114 GPRESSAVG: 70200 -27.9034 27.8411 11.0632 26.8806 85.1625 4.31008 9.64059 2.1789 -27.3583 TIMING: 70200 CPU: 203.04, 0.00286842/step Wall: 203.04, 0.00286842/step, 3.92799 hours remaining, 199.546875 MB of memory in use. ENERGY: 70200 729.7099 2104.9462 1975.2553 117.2106 -206079.8911 17760.4476 0.0000 0.0000 34171.4945 -149220.8270 298.4282 -183392.3215 -149122.1006 298.7564 -126.9510 -93.4859 559423.1664 9.6536 9.9669 PRESSURE: 70400 160.632 -103.065 0.98164 -103.065 -10.4138 -139.492 0.983048 -139.493 235.179 GPRESSURE: 70400 211.887 -163.804 50.018 -55.8363 -7.84729 -182.655 -35.2354 -109.35 280.212 PRESSAVG: 70400 2.81572 8.92678 9.2867 8.92677 -52.2122 -18.1099 9.28677 -18.11 45.713 GPRESSAVG: 70400 2.58325 8.89705 7.10096 9.08018 -51.512 -18.5205 11.2949 -20.2289 45.5849 TIMING: 70400 CPU: 203.617, 0.00288192/step Wall: 203.617, 0.00288192/step, 3.9463 hours remaining, 199.546875 MB of memory in use. ENERGY: 70400 763.0806 2058.6834 1941.3131 121.6087 -206205.1221 18100.5131 0.0000 0.0000 34211.2571 -149008.6661 298.7754 -183219.9232 -148911.3320 299.1053 128.4659 161.4170 560437.1855 -1.2278 -1.1146 PRESSURE: 70600 -188.574 -20.4333 32.3906 -20.4338 38.4449 38.8916 32.3908 38.8897 64.8817 GPRESSURE: 70600 -114.26 -55.8919 27.1187 -30.241 93.7809 47.9891 10.9726 58.3696 21.1427 PRESSAVG: 70600 -55.6612 28.6811 -21.6245 28.6811 14.723 -72.4382 -21.6245 -72.4383 23.345 GPRESSAVG: 70600 -56.7491 27.5669 -21.4752 29.7527 15.6983 -72.7653 -22.6745 -72.5227 23.6719 TIMING: 70600 CPU: 204.195, 0.00289419/step Wall: 204.195, 0.00289419/step, 3.96294 hours remaining, 199.546875 MB of memory in use. ENERGY: 70600 736.1467 2098.6901 1949.9642 109.4999 -206129.9091 17777.1324 0.0000 0.0000 34252.2571 -149206.2186 299.1335 -183458.4758 -149110.2996 299.0338 -28.4158 0.2212 557981.7943 -5.8644 -5.7930 PRESSURE: 70800 118.038 -24.4053 123.656 -24.4076 -198.414 54.3402 123.656 54.3405 -77.011 GPRESSURE: 70800 101.406 -65.6176 109.557 77.5311 -137.873 57.0565 158.89 54.4459 -30.7191 PRESSAVG: 70800 -16.7087 -7.72849 -28.7755 -7.72843 25.3896 -3.14828 -28.7754 -3.14839 10.8219 GPRESSAVG: 70800 -15.235 -7.06487 -27.2449 -7.31499 24.365 -5.67537 -31.4215 -1.34336 10.7879 TIMING: 70800 CPU: 204.77, 0.0028722/step Wall: 204.77, 0.0028722/step, 3.93268 hours remaining, 199.546875 MB of memory in use. ENERGY: 70800 759.2631 2100.3553 1936.3202 116.5797 -206085.7868 17670.0056 0.0000 0.0000 34346.8762 -149156.3868 299.9598 -183503.2630 -149055.8524 300.1554 -52.4623 -22.3955 557258.1434 6.5009 6.6393 PRESSURE: 71000 -124.351 -41.4922 -11.7427 -41.494 -93.7202 -0.760425 -11.7426 -0.759768 36.5103 GPRESSURE: 71000 -182.969 -33.4158 -74.8841 -45.1714 -15.8114 -78.9245 -15.6291 -44.5786 124.565 PRESSAVG: 71000 -8.94116 20.4605 20.9148 20.4606 15.9901 -24.3265 20.9149 -24.3265 -6.12749 GPRESSAVG: 71000 -9.44879 18.9427 20.6335 20.3197 17.0929 -25.4048 23.428 -24.4507 -7.0991 TIMING: 71000 CPU: 205.346, 0.00288255/step Wall: 205.346, 0.00288255/step, 3.94669 hours remaining, 199.546875 MB of memory in use. ENERGY: 71000 752.8679 2099.5797 1952.4620 96.3793 -205742.1885 17654.2786 0.0000 0.0000 34227.4827 -148959.1382 298.9171 -183186.6209 -148860.0551 299.7264 -60.5204 -24.7386 559022.9604 0.3071 0.1817 PRESSURE: 71200 -169.054 16.6054 -164.059 16.6061 117.891 -91.802 -164.06 -91.8012 -337.09 GPRESSURE: 71200 -122.983 1.69983 -101.349 25.7248 62.3256 -123.814 -178.958 -13.1614 -234.65 PRESSAVG: 71200 -46.6686 -0.0900506 -3.79561 -0.090102 46.7401 -51.3089 -3.79563 -51.309 -38.4857 GPRESSAVG: 71200 -47.0682 2.63018 -4.01395 -0.821402 45.9447 -50.986 -3.54974 -51.0162 -38.0137 TIMING: 71200 CPU: 205.923, 0.00288103/step Wall: 205.923, 0.00288103/step, 3.94445 hours remaining, 199.546875 MB of memory in use. ENERGY: 71200 719.8764 2135.9448 1929.5959 111.0912 -206039.4738 17673.8374 0.0000 0.0000 34532.0068 -148937.1211 301.5766 -183469.1280 -148833.0333 300.0556 -129.4175 -98.4357 559884.6453 -12.8047 -13.0458 PRESSURE: 71400 119.601 29.4501 -79.7648 29.4498 2.03194 22.2641 -79.7648 22.2652 135.853 GPRESSURE: 71400 139.452 115.047 -66.9027 22.049 20.1306 6.14147 -81.8602 18.6602 196.467 PRESSAVG: 71400 -69.2344 4.25048 44.7192 4.25055 19.7869 -16.1172 44.7192 -16.1172 23.8311 GPRESSAVG: 71400 -68.4827 5.73441 42.1925 4.96319 19.1911 -13.9145 45.4448 -18.4733 23.6802 TIMING: 71400 CPU: 206.498, 0.0028772/step Wall: 206.498, 0.0028772/step, 3.93904 hours remaining, 199.546875 MB of memory in use. ENERGY: 71400 732.4272 2148.5418 1975.4947 106.0336 -205900.6698 17824.8828 0.0000 0.0000 34208.3376 -148904.9521 298.7499 -183113.2896 -148811.9824 299.8511 85.8287 118.6832 557210.0137 -8.5388 -8.5371 PRESSURE: 71600 -139.883 16.3548 -74.6236 16.3549 -71.6 -133.242 -74.6229 -133.241 -41.3712 GPRESSURE: 71600 -53.7739 -11.237 -166.126 6.46429 -98.7936 -72.264 -60.6343 -102.626 -10.4701 PRESSAVG: 71600 43.4593 31.5053 58.1487 31.5053 -25.615 10.8727 58.1488 10.8727 5.38236 GPRESSAVG: 71600 42.4584 30.1232 59.8409 30.6135 -24.1284 11.1809 55.7943 13.2981 5.20004 TIMING: 71600 CPU: 207.075, 0.00288543/step Wall: 207.075, 0.00288543/step, 3.95016 hours remaining, 199.546875 MB of memory in use. ENERGY: 71600 752.0441 2087.5385 1933.8431 107.6661 -205738.0934 17520.9983 0.0000 0.0000 34370.2185 -148965.7850 300.1637 -183336.0035 -148865.9061 299.9498 -84.2848 -54.3459 557760.1782 7.7422 7.8433 PRESSURE: 71800 -280.346 80.6058 75.7543 80.6061 -274.891 160.766 75.754 160.765 -244.125 GPRESSURE: 71800 -257.085 120.31 26.8623 107.507 -225.737 115.562 131.712 215.092 -211.286 PRESSAVG: 71800 1.72204 -11.2563 9.77387 -11.2563 30.1022 -6.59134 9.77381 -6.59136 -15.4013 GPRESSAVG: 71800 3.30138 -10.9165 8.03767 -12.0587 29.2449 -7.19666 10.3673 -7.65159 -15.8478 TIMING: 71800 CPU: 207.656, 0.0029051/step Wall: 207.656, 0.0029051/step, 3.97693 hours remaining, 199.546875 MB of memory in use. ENERGY: 71800 734.9114 2154.9438 1936.5258 102.6164 -205424.0533 17305.0006 0.0000 0.0000 34255.8383 -148934.2170 299.1648 -183190.0554 -148840.6159 300.3299 -266.4538 -231.3695 558574.9714 5.4743 5.5662 PRESSURE: 72000 -222.432 -0.03363 -53.3072 -0.033759 -321.259 -253.453 -53.3078 -253.452 -202.043 GPRESSURE: 72000 -227.286 77.3019 -74.131 -65.2701 -210.357 -297.574 -32.7771 -230.386 -205.149 PRESSAVG: 72000 52.2243 21.2879 50.4619 21.2878 -97.3114 14.3198 50.4619 14.3198 6.82585 GPRESSAVG: 72000 50.2838 20.6221 53.0986 22.8869 -95.1387 14.7419 49.2988 14.313 6.63518 TIMING: 72000 CPU: 208.237, 0.0029035/step Wall: 208.237, 0.0029035/step, 3.97457 hours remaining, 199.546875 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: 72000 746.4293 2045.2604 1978.2922 117.2639 -205730.2521 17519.3833 0.0000 0.0000 34373.3120 -148950.3110 300.1907 -183323.6230 -148851.0403 299.4562 -248.5780 -214.2642 558972.4298 -12.7537 -12.7399 PRESSURE: 72200 -103.676 77.4284 -43.451 77.4276 32.4823 -38.4348 -43.4502 -38.4339 58.6327 GPRESSURE: 72200 -41.6278 82.7393 39.3656 56.5494 55.725 16.6079 -72.6545 -45.3924 73.6754 PRESSAVG: 72200 76.3742 9.20817 -9.25224 9.20822 -2.21226 -65.5737 -9.25222 -65.5738 -26.6407 GPRESSAVG: 72200 77.7108 9.68165 -10.3193 10.0287 -3.24202 -66.7501 -9.77624 -64.7234 -26.0368 TIMING: 72200 CPU: 208.815, 0.00288926/step Wall: 208.815, 0.00288926/step, 3.95491 hours remaining, 199.546875 MB of memory in use. ENERGY: 72200 758.1540 2089.2961 1951.1935 107.2161 -206197.3973 17952.4851 0.0000 0.0000 34525.5907 -148813.4618 301.5206 -183339.0525 -148710.7646 299.8392 -4.1869 29.2575 559649.5858 15.8404 16.1440 LDB: ============= START OF LOAD BALANCING ============== 212.199 LDB: ============== END OF LOAD BALANCING =============== 212.199 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 212.2 LDB: ============= START OF LOAD BALANCING ============== 212.491 LDB: Largest compute 4820 load 0.023733 is 20.1% of average load 0.117835 LDB: Average compute 0.001713 is 1.5% of average load 0.117835 LDB: TIME 212.493 LOAD: AVG 0.117835 MAX 0.178181 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.418 MB LDB: TIME 212.493 LOAD: AVG 0.117835 MAX 0.178181 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.418 MB LDB: TIME 212.493 LOAD: AVG 0.117835 MAX 0.178181 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.418 MB LDB: ============== END OF LOAD BALANCING =============== 212.495 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 212.499 PRESSURE: 72400 60.5539 76.7444 -164.959 76.7443 -144.771 -96.848 -164.96 -96.8477 86.5559 GPRESSURE: 72400 50.6826 -35.2429 -167.801 116.032 -87.8559 -135.194 -124.848 -121.919 126.026 PRESSAVG: 72400 -33.0367 -18.2234 -58.9719 -18.2234 -6.9786 -30.6471 -58.9719 -30.6471 67.0521 GPRESSAVG: 72400 -33.507 -20.0478 -58.6554 -19.7222 -7.34879 -28.7089 -57.5211 -31.1113 67.7167 TIMING: 72400 CPU: 209.404, 0.00294476/step Wall: 209.404, 0.00294476/step, 4.03073 hours remaining, 199.984375 MB of memory in use. ENERGY: 72400 761.2062 2084.8080 1938.9032 125.8317 -205702.2597 17659.9110 0.0000 0.0000 34451.3176 -148680.2819 300.8719 -183131.5995 -148587.4927 300.0631 0.7797 29.6176 559712.0390 9.0123 8.9536 PRESSURE: 72600 -249.638 88.0916 -24.7531 88.0913 -109.828 20.3873 -24.7528 20.3864 48.3401 GPRESSURE: 72600 -218.072 132.624 38.6792 22.2042 -39.941 -14.5588 23.7508 105.246 54.3449 PRESSAVG: 72600 18.8744 28.7362 -15.8364 28.7362 2.07217 58.277 -15.8364 58.277 -42.4252 GPRESSAVG: 72600 19.5621 31.7032 -15.9062 28.3221 3.24603 57.9191 -17.1563 55.5578 -44.2327 TIMING: 72600 CPU: 209.98, 0.00288128/step Wall: 209.98, 0.00288128/step, 3.94367 hours remaining, 200.046875 MB of memory in use. ENERGY: 72600 763.2082 2096.7476 1960.1602 116.5226 -206004.5211 17870.6714 0.0000 0.0000 34395.8222 -148801.3889 300.3873 -183197.2111 -148703.6355 300.3292 -103.7088 -67.8893 559035.6728 -7.1595 -7.1415 PRESSURE: 72800 -204.294 -74.6608 37.7024 -74.6612 28.9774 7.78269 37.7028 7.78181 -1.58886 GPRESSURE: 72800 -149.536 -164.671 20.4464 -57.3535 20.5237 53.9075 99.5856 36.115 52.6057 PRESSAVG: 72800 -40.7068 -29.3516 26.3284 -29.3516 32.6684 -26.7332 26.3284 -26.7331 -34.816 GPRESSAVG: 72800 -40.6743 -29.0492 25.6883 -30.1036 31.7385 -28.6161 28.1039 -24.4266 -33.3036 TIMING: 72800 CPU: 210.552, 0.00285924/step Wall: 210.552, 0.00285924/step, 3.91335 hours remaining, 200.046875 MB of memory in use. ENERGY: 72800 729.5100 2148.8836 1944.7392 116.6085 -205887.2231 17660.0313 0.0000 0.0000 34280.3914 -149007.0590 299.3792 -183287.4504 -148909.0014 299.7920 -58.9684 -25.4690 558701.3510 -14.2848 -14.0798 PRESSURE: 73000 242.982 65.5861 -39.4374 65.5864 179.276 202.617 -39.4362 202.616 130.974 GPRESSURE: 73000 287.486 119.239 -21.3064 39.5939 209.706 214.839 -54.0813 197.961 164.535 PRESSAVG: 73000 -3.08784 24.9745 -21.0537 24.9745 21.1329 49.5244 -21.0537 49.5243 -35.8392 GPRESSAVG: 73000 -2.43889 23.4994 -21.1198 25.0269 20.3231 48.7748 -20.2159 49.6709 -36.5722 TIMING: 73000 CPU: 211.128, 0.00288075/step Wall: 211.128, 0.00288075/step, 3.94262 hours remaining, 200.046875 MB of memory in use. ENERGY: 73000 730.3389 2073.6017 1914.5515 114.6540 -206357.1384 18155.3221 0.0000 0.0000 34522.7541 -148845.9162 301.4958 -183368.6703 -148755.2384 299.4198 184.4108 220.5753 556577.5691 -5.9314 -6.2293 PRESSURE: 73200 81.231 -74.3521 -122.696 -74.3529 258.177 154.844 -122.697 154.846 -79.4314 GPRESSURE: 73200 134.984 -67.5061 -142.678 -55.0701 292.493 111.598 -111.456 144.405 -54.5399 PRESSAVG: 73200 31.6365 -8.91685 -0.0103823 -8.91692 9.77307 21.2421 -0.0104423 21.2421 -25.9573 GPRESSAVG: 73200 31.0999 -9.70668 1.61069 -8.76604 10.6748 20.7816 -2.30092 23.1456 -26.4577 TIMING: 73200 CPU: 211.707, 0.00289604/step Wall: 211.707, 0.00289604/step, 3.96339 hours remaining, 200.046875 MB of memory in use. ENERGY: 73200 759.2965 2069.6567 1909.5270 118.0255 -206188.1687 18136.6752 0.0000 0.0000 34387.7550 -148807.2328 300.3168 -183194.9878 -148717.7980 299.8656 86.6589 124.3126 558101.8396 5.1507 5.1057 PRESSURE: 73400 98.1422 34.5036 -49.3338 34.5036 -157.825 47.1114 -49.3347 47.1108 1.27845 GPRESSURE: 73400 105.075 -1.35661 -142.662 74.4347 -130.245 97.8163 86.5792 -1.6298 52.3646 PRESSAVG: 73400 13.3805 5.14379 9.76352 5.14377 39.0537 14.4071 9.76346 14.4071 -46.8276 GPRESSAVG: 73400 12.5955 3.08845 9.55781 7.11528 38.5563 14.5631 11.3147 13.5459 -45.6223 TIMING: 73400 CPU: 212.286, 0.00289314/step Wall: 212.286, 0.00289314/step, 3.95927 hours remaining, 200.046875 MB of memory in use. ENERGY: 73400 743.2898 2074.9510 1947.9333 118.4091 -205972.2424 17795.1687 0.0000 0.0000 34325.5467 -148966.9438 299.7735 -183292.4905 -148871.9787 300.1833 -19.4680 9.0649 558201.2843 1.8689 1.8432 PRESSURE: 73600 132.048 -2.77007 155.003 -2.76998 426.717 114.642 155.002 114.643 -103.164 GPRESSURE: 73600 175.764 60.1142 242.447 -16.9512 439.56 141.006 51.5878 126.648 -56.7828 PRESSAVG: 73600 18.8039 -11.5746 -19.346 -11.5745 24.5383 66.2019 -19.3459 66.2019 -2.64849 GPRESSAVG: 73600 19.059 -8.32925 -19.9822 -13.0673 25.3669 66.4763 -20.1368 65.1488 -3.44418 TIMING: 73600 CPU: 212.861, 0.0028749/step Wall: 212.861, 0.0028749/step, 3.93414 hours remaining, 200.046875 MB of memory in use. ENERGY: 73600 768.5882 2064.7550 1912.3195 120.4784 -206206.4988 18191.5390 0.0000 0.0000 34271.2600 -148877.5587 299.2994 -183148.8187 -148785.4822 299.9956 151.8671 186.1802 558532.7345 13.5646 13.6606 PRESSURE: 73800 178.318 -25.935 -84.9713 -25.934 58.2863 16.5741 -84.973 16.5746 -186.712 GPRESSURE: 73800 178.954 -43.0305 -99.4703 -20.0785 88.9085 85.0725 -130.731 0.734119 -114.537 PRESSAVG: 73800 48.0988 -18.3544 63.0532 -18.3544 -21.1661 25.5956 63.0531 25.5957 -57.6282 GPRESSAVG: 73800 47.755 -20.9957 64.6491 -15.7787 -21.6107 26.7679 63.0958 24.5589 -56.8803 TIMING: 73800 CPU: 213.44, 0.00289891/step Wall: 213.44, 0.00289891/step, 3.96683 hours remaining, 200.046875 MB of memory in use. ENERGY: 73800 750.9814 2091.9478 1938.6406 114.0144 -205896.4853 17784.5827 0.0000 0.0000 34377.6407 -148838.6778 300.2285 -183216.3185 -148746.1788 299.7325 16.6309 51.1084 558547.8480 -10.2318 -10.2453 PRESSURE: 74000 145.254 5.20493 -14.6578 5.20398 31.7626 -168.133 -14.6573 -168.133 142.119 GPRESSURE: 74000 132.71 -5.42603 -9.08659 20.8128 55.8469 -154.024 18.4565 -188.606 229.206 PRESSAVG: 74000 19.3269 -19.7694 9.60572 -19.7694 -34.0684 -7.83948 9.60571 -7.83958 -12.1773 GPRESSAVG: 74000 19.4094 -20.8395 7.78865 -21.8128 -34.1142 -8.04472 10.7118 -5.50133 -12.0075 TIMING: 74000 CPU: 214.016, 0.00287924/step Wall: 214.016, 0.00287924/step, 3.93977 hours remaining, 200.046875 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: 74000 731.8191 2102.2353 1958.3415 115.9812 -206108.1887 18063.8746 0.0000 0.0000 34102.9748 -149032.9622 297.8298 -183135.9370 -148945.4371 299.8703 106.3785 139.2545 560269.1969 -8.9730 -8.9041 PRESSURE: 74200 -9.01233 18.7066 38.2532 18.7066 -95.8271 -182.507 38.253 -182.506 -85.9288 GPRESSURE: 74200 61.3428 35.4081 61.7778 6.86388 -58.5694 -198.04 29.4669 -192.55 -94.7519 PRESSAVG: 74200 -25.2532 18.7593 -14.8205 18.7593 -21.6063 11.2848 -14.8206 11.2848 -8.35667 GPRESSAVG: 74200 -24.1291 23.0088 -14.631 18.5973 -22.5758 11.0712 -15.9497 9.40889 -8.60995 TIMING: 74200 CPU: 214.588, 0.00285782/step Wall: 214.588, 0.00285782/step, 3.91029 hours remaining, 200.046875 MB of memory in use. ENERGY: 74200 745.5936 2159.2585 1933.6013 125.5121 -205997.2082 17915.2500 0.0000 0.0000 34359.0062 -148758.9865 300.0657 -183117.9928 -148657.6780 300.3975 -63.5894 -30.6595 560695.4380 -18.4054 -18.4383 PRESSURE: 74400 69.6676 -158.268 33.1382 -158.267 -102.003 -11.3925 33.1377 -11.3914 146.275 GPRESSURE: 74400 122.19 -131.101 -19.5228 -128.864 -62.7983 16.823 28.3093 20.5258 159.049 PRESSAVG: 74400 1.26547 -28.5862 2.04669 -28.5862 34.8854 -43.5527 2.04678 -43.5528 -26.7458 GPRESSAVG: 74400 1.27359 -28.9296 1.27237 -28.3909 35.4303 -43.4793 3.82704 -43.2859 -26.9816 TIMING: 74400 CPU: 215.169, 0.00290474/step Wall: 215.169, 0.00290474/step, 3.97433 hours remaining, 200.046875 MB of memory in use. ENERGY: 74400 748.8934 2121.5401 1926.6581 103.4502 -206348.1903 17903.5226 0.0000 0.0000 34642.1752 -148901.9507 302.5387 -183544.1259 -148803.5636 300.1305 37.9800 72.8134 559579.8626 3.1350 3.2408 PRESSURE: 74600 70.8881 63.9249 -71.0368 63.9252 432.139 182.953 -71.0366 182.952 -313.238 GPRESSURE: 74600 120.114 174.917 -30.0244 66.9833 417.769 197.825 -66.7519 102.513 -259.75 PRESSAVG: 74600 -31.0535 0.517222 20.6262 0.517208 13.6821 -52.0422 20.6261 -52.0421 -55.8638 GPRESSAVG: 74600 -31.5459 -0.952154 21.1088 1.6083 13.9517 -51.1652 19.2559 -52.7886 -55.6596 TIMING: 74600 CPU: 215.749, 0.00290065/step Wall: 215.749, 0.00290065/step, 3.96858 hours remaining, 200.046875 MB of memory in use. ENERGY: 74600 746.8876 2074.2711 1966.7713 114.7840 -206251.1564 17999.8744 0.0000 0.0000 34544.6367 -148803.9312 301.6869 -183348.5679 -148706.9450 300.4418 63.2630 92.7111 559519.0883 -24.4118 -24.4179 PRESSURE: 74800 -210.382 -3.25913 -47.6654 -3.25935 -158.244 15.1947 -47.666 15.1956 -372.621 GPRESSURE: 74800 -156.679 15.6332 -76.4857 -15.0247 -142.449 -66.0138 -18.4937 1.52742 -343.343 PRESSAVG: 74800 42.2596 -2.35944 -27.7484 -2.35935 37.8918 -28.5355 -27.7485 -28.5356 -88.0869 GPRESSAVG: 74800 43.4507 -2.35463 -26.5268 -4.38154 37.0402 -30.3919 -26.642 -26.2256 -88.2134 TIMING: 74800 CPU: 216.327, 0.00288822/step Wall: 216.327, 0.00288822/step, 3.95141 hours remaining, 200.046875 MB of memory in use. ENERGY: 74800 798.5131 2050.3042 1970.4952 110.8419 -206016.1206 17756.5609 0.0000 0.0000 34563.9247 -148765.4806 301.8554 -183329.4053 -148663.3377 300.6043 -247.0823 -214.1566 560445.2325 -2.6452 -2.5742 PRESSURE: 75000 -87.4279 -10.3184 88.1098 -10.3172 -12.3431 -73.6108 88.1097 -73.6097 24.494 GPRESSURE: 75000 -66.9164 -41.038 28.9009 5.03532 32.8736 -111.764 100.013 -38.6846 40.9939 PRESSAVG: 75000 35.9062 -15.9258 7.5211 -15.9258 9.70385 9.3051 7.52105 9.30507 -35.9095 GPRESSAVG: 75000 33.9863 -17.4054 6.81019 -14.9075 11.2797 11.8781 6.88334 6.20316 -35.5769 TIMING: 75000 CPU: 216.904, 0.00288735/step Wall: 216.904, 0.00288735/step, 3.95006 hours remaining, 200.046875 MB of memory in use. ENERGY: 75000 753.8442 2121.9410 1931.1717 116.5075 -205976.0654 17764.8082 0.0000 0.0000 34401.0926 -148886.7001 300.4333 -183287.7927 -148801.5904 300.5978 -25.0923 2.3170 557967.1132 3.2335 3.2297 PRESSURE: 75200 -151.989 -57.7556 120.228 -57.7558 105.487 -18.616 120.229 -18.6165 103.075 GPRESSURE: 75200 -112.774 -127.363 70.282 -52.1418 145.245 -17.595 141.43 5.70527 114.118 PRESSAVG: 75200 -49.1389 45.2295 70.2364 45.2295 41.0595 11.4324 70.2365 11.4323 5.36808 GPRESSAVG: 75200 -49.0976 46.3177 68.9457 45.3832 41.4161 10.255 70.4539 11.9915 5.10566 TIMING: 75200 CPU: 217.477, 0.0028647/step Wall: 217.477, 0.0028647/step, 3.91891 hours remaining, 200.046875 MB of memory in use. ENERGY: 75200 756.7925 2152.5735 1919.7536 116.0369 -205793.0284 17797.3365 0.0000 0.0000 34110.3445 -148940.1910 297.8941 -183050.5354 -148843.2691 299.6443 18.8575 48.8628 558177.5000 -0.9038 -0.8586 PRESSURE: 75400 48.2959 -27.4132 -20.6941 -27.4154 -116.899 66.6624 -20.694 66.6639 -220.464 GPRESSURE: 75400 26.3242 -82.6046 -36.4375 -38.8289 -19.825 -4.25188 1.50178 87.2368 -185.857 PRESSAVG: 75400 18.9499 -7.95827 33.6371 -7.95831 55.6316 2.1875 33.6372 2.18759 -104.942 GPRESSAVG: 75400 19.8223 -7.8615 35.2392 -7.33333 55.1789 2.13808 32.9805 5.7453 -105.402 TIMING: 75400 CPU: 218.051, 0.0028714/step Wall: 218.051, 0.0028714/step, 3.92791 hours remaining, 200.046875 MB of memory in use. ENERGY: 75400 800.5564 2105.1413 1947.4666 130.4259 -206075.3206 17789.0555 0.0000 0.0000 34190.5867 -149112.0882 298.5949 -183302.6749 -149016.3428 299.9590 -96.3556 -59.7861 557330.5398 -10.1200 -10.1337 PRESSURE: 75600 -115.979 0.542474 -92.3269 0.543814 42.8799 64.281 -92.3265 64.2812 -182.374 GPRESSURE: 75600 -106.649 9.06915 -65.4578 53.6441 19.005 20.4485 -133.315 -5.42323 -90.1813 PRESSAVG: 75600 13.4671 1.15707 -26.6875 1.1571 31.2706 20.0204 -26.6874 20.0204 -32.5014 GPRESSAVG: 75600 13.5184 0.496716 -27.2208 -0.0888223 30.5363 21.883 -27.4939 14.8596 -31.7264 TIMING: 75600 CPU: 218.627, 0.00287959/step Wall: 218.627, 0.00287959/step, 3.93896 hours remaining, 200.046875 MB of memory in use. ENERGY: 75600 792.6099 2125.3827 1975.3608 98.0364 -206219.1197 17735.6148 0.0000 0.0000 34317.5962 -149174.5189 299.7041 -183492.1151 -149081.4679 299.1025 -85.1578 -59.2752 556523.1568 4.0788 4.1094 PRESSURE: 75800 -136.418 38.64 -34.7544 38.6409 106.022 24.8311 -34.7542 24.8304 97.8113 GPRESSURE: 75800 -33.1068 -54.0638 3.56067 65.881 126.369 9.42901 -40.7925 -25.916 61.1358 PRESSAVG: 75800 6.35639 0.363756 -27.3078 0.363846 28.6766 -33.1182 -27.3078 -33.1182 -42.9497 GPRESSAVG: 75800 6.42498 0.315111 -26.7243 1.43974 29.3063 -33.6402 -28.0511 -30.7913 -44.1954 TIMING: 75800 CPU: 219.203, 0.00287901/step Wall: 219.203, 0.00287901/step, 3.938 hours remaining, 200.046875 MB of memory in use. ENERGY: 75800 764.4037 2109.6052 1965.4634 119.2777 -206643.4862 18054.3827 0.0000 0.0000 34304.0785 -149326.2750 299.5860 -183630.3535 -149232.1188 299.1953 22.4719 51.4661 557262.0421 -2.6389 -2.8214 PRESSURE: 76000 215.847 114.61 -124.952 114.608 -104.033 -42.671 -124.951 -42.6711 -71.3547 GPRESSURE: 76000 167.679 123.367 -63.3142 7.25135 -39.3071 -40.9648 -100.147 -57.7858 -3.8355 PRESSAVG: 76000 28.441 38.1719 -27.4192 38.1719 -34.9231 -18.2977 -27.4192 -18.2977 13.9319 GPRESSAVG: 76000 27.0569 40.6842 -28.4636 37.7994 -34.8714 -20.9933 -25.7431 -18.5658 14.5848 TIMING: 76000 CPU: 219.776, 0.00286759/step Wall: 219.776, 0.00286759/step, 3.92222 hours remaining, 200.046875 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: 76000 764.8092 2112.1540 1929.7512 116.6221 -206477.2683 17975.4542 0.0000 0.0000 34101.3077 -149477.1698 297.8152 -183578.4775 -149382.2131 298.1455 13.4863 41.5122 557991.5403 2.4833 2.2568 PRESSURE: 76200 27.1912 -109.639 -130.522 -109.638 -68.0092 -43.1345 -130.523 -43.1333 -210.675 GPRESSURE: 76200 38.3436 -94.6358 -129.598 -11.7288 -16.844 -30.1252 -147.673 -28.125 -174.624 PRESSAVG: 76200 20.1717 1.41072 -15.8246 1.41071 53.3193 -17.8121 -15.8246 -17.8121 -76.0594 GPRESSAVG: 76200 20.8397 -1.00694 -14.7929 2.6025 53.6365 -14.5995 -17.8109 -20.2528 -76.8203 TIMING: 76200 CPU: 220.353, 0.00288144/step Wall: 220.353, 0.00288144/step, 3.94102 hours remaining, 200.046875 MB of memory in use. ENERGY: 76200 731.3798 2118.6889 1939.5969 126.6489 -206453.7432 17813.8883 0.0000 0.0000 34255.4475 -149468.0929 299.1613 -183723.5404 -149365.6838 297.9719 -83.8310 -51.0415 559378.4096 -0.8561 -0.7813 LDB: ============= START OF LOAD BALANCING ============== 223.738 LDB: ============== END OF LOAD BALANCING =============== 223.738 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 223.74 LDB: ============= START OF LOAD BALANCING ============== 224.031 LDB: Largest compute 4820 load 0.024117 is 20.5% of average load 0.117861 LDB: Average compute 0.001710 is 1.5% of average load 0.117861 LDB: TIME 224.033 LOAD: AVG 0.117861 MAX 0.179701 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.648 MB LDB: TIME 224.033 LOAD: AVG 0.117861 MAX 0.179701 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.855 MB LDB: TIME 224.033 LOAD: AVG 0.117861 MAX 0.179701 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 224.035 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 224.039 PRESSURE: 76400 -176.988 20.8561 -156.039 20.8553 113.477 49.1351 -156.039 49.1349 -275.186 GPRESSURE: 76400 -137.885 -0.804516 -94.5471 9.11407 122.459 53.3677 -193.804 22.3967 -225.986 PRESSAVG: 76400 27.2989 -20.2967 17.3562 -20.2966 49.6904 9.45334 17.3562 9.45331 -51.3192 GPRESSAVG: 76400 27.9392 -18.818 16.4319 -21.5215 49.1159 9.1458 17.3977 11.8492 -51.308 TIMING: 76400 CPU: 220.944, 0.00295562/step Wall: 220.944, 0.00295562/step, 4.0423 hours remaining, 198.136719 MB of memory in use. ENERGY: 76400 759.1997 2078.0130 1941.6425 115.7511 -206333.0370 17686.3207 0.0000 0.0000 34393.3107 -149358.7993 300.3653 -183752.1101 -149267.8743 298.2067 -112.8988 -80.4703 558426.5931 8.5567 8.5824 PRESSURE: 76600 -239.739 -107.484 -30.839 -107.484 -153.662 50.9675 -30.8397 50.9668 2.94573 GPRESSURE: 76600 -214.857 -25.6618 -56.6273 -78.4964 -106.569 84.3431 -6.00207 19.3536 33.3356 PRESSAVG: 76600 15.3998 24.5581 7.27759 24.5579 5.81657 31.1498 7.27758 31.1498 -27.1762 GPRESSAVG: 76600 15.2253 25.7779 6.36221 23.6472 4.89336 30.9322 9.67455 31.8447 -25.7583 TIMING: 76600 CPU: 221.52, 0.00288206/step Wall: 221.52, 0.00288206/step, 3.94154 hours remaining, 198.136719 MB of memory in use. ENERGY: 76600 737.8438 2079.9032 1957.0446 106.1855 -206262.5270 17950.8826 0.0000 0.0000 34205.3555 -149225.3117 298.7239 -183430.6672 -149129.2617 298.7734 -130.1517 -96.0304 560128.2216 -1.9866 -1.8799 PRESSURE: 76800 -208.257 -104.851 -7.68595 -104.85 -10.4175 24.1363 -7.68512 24.1371 -1.60427 GPRESSURE: 76800 -109.334 -147.003 92.5307 -82.8207 -50.9713 49.0029 -32.5694 29.1222 46.5184 PRESSAVG: 76800 -54.4229 -43.8641 -7.94069 -43.8641 -20.4641 1.55765 -7.94072 1.5576 19.7315 GPRESSAVG: 76800 -54.6566 -43.5197 -5.6869 -43.9426 -20.1008 2.10864 -10.2748 1.18766 19.491 TIMING: 76800 CPU: 222.099, 0.00289186/step Wall: 222.099, 0.00289186/step, 3.95478 hours remaining, 198.136719 MB of memory in use. ENERGY: 76800 716.8897 2161.1275 1949.9051 122.9673 -206076.3648 17754.2273 0.0000 0.0000 34207.2367 -149164.0111 298.7403 -183371.2478 -149064.9313 298.7052 -73.4261 -37.9290 558572.5065 -18.3852 -18.4221 PRESSURE: 77000 -262.957 -52.1007 -63.3152 -52.0999 -37.338 -20.9698 -63.3151 -20.9717 -34.0766 GPRESSURE: 77000 -268.213 -31.6425 -74.215 -49.2385 23.4338 -25.9385 18.2185 -54.9895 -4.06259 PRESSAVG: 77000 -89.4431 -27.8322 35.9976 -27.8322 15.3141 54.8896 35.9977 54.8896 41.6801 GPRESSAVG: 77000 -89.536 -31.2975 34.297 -26.5061 16.0267 52.7956 38.7641 55.8272 41.0305 TIMING: 77000 CPU: 222.673, 0.00287067/step Wall: 222.673, 0.00287067/step, 3.92564 hours remaining, 198.136719 MB of memory in use. ENERGY: 77000 758.7972 2097.2787 1943.0040 105.0675 -205965.0801 17646.9861 0.0000 0.0000 34067.2901 -149346.6566 297.5181 -183413.9467 -149250.0421 299.0778 -111.4573 -82.9472 558110.9633 -10.8163 -10.8263 PRESSURE: 77200 -9.84044 -75.8064 -106.378 -75.8069 -48.7323 -151.137 -106.378 -151.138 38.4075 GPRESSURE: 77200 31.8333 -65.5838 -57.306 -70.95 -35.2245 -36.7331 -102.586 -225.672 66.6688 PRESSAVG: 77200 21.1535 19.218 -35.1967 19.218 -28.7036 7.92578 -35.1967 7.92586 2.88407 GPRESSAVG: 77200 23.0285 19.9115 -34.8457 19.6055 -28.9472 9.48661 -37.977 7.57939 1.45682 TIMING: 77200 CPU: 223.248, 0.00287434/step Wall: 223.248, 0.00287434/step, 3.9305 hours remaining, 198.136719 MB of memory in use. ENERGY: 77200 748.2707 2092.1167 1969.2332 119.3052 -206548.7917 17807.6843 0.0000 0.0000 34327.8736 -149484.3081 299.7939 -183812.1817 -149381.9664 298.3981 -6.7218 21.0925 556563.0303 -1.5554 -1.4873 PRESSURE: 77400 -496.256 53.028 -43.1594 53.0271 -426.048 -100.339 -43.1592 -100.339 -348.089 GPRESSURE: 77400 -455.158 -3.11302 -149.666 -9.39702 -394.463 -157.264 14.723 8.03442 -330.064 PRESSAVG: 77400 -52.6541 -44.9588 35.6339 -44.9589 15.1419 -20.7605 35.634 -20.7606 3.48196 GPRESSAVG: 77400 -54.7464 -44.7254 35.8219 -44.718 15.3872 -21.9646 36.8114 -21.1867 5.22931 TIMING: 77400 CPU: 223.824, 0.00288201/step Wall: 223.824, 0.00288201/step, 3.94083 hours remaining, 198.136719 MB of memory in use. ENERGY: 77400 771.6508 2066.8183 1941.9229 115.6717 -205802.8455 17342.9856 0.0000 0.0000 34072.3785 -149491.4177 297.5626 -183563.7962 -149395.9679 297.8299 -423.4645 -393.2283 558394.2980 -11.3434 -11.3766 PRESSURE: 77600 75.9518 -75.9413 -112.987 -75.9415 205.498 -117.39 -112.987 -117.389 198.314 GPRESSURE: 77600 90.1085 -10.8171 -63.5057 -103.112 269.251 -70.1333 -189.834 -89.6913 227.695 PRESSAVG: 77600 -40.308 5.60453 -0.455968 5.60455 48.9597 -9.50635 -0.456084 -9.50637 -57.3273 GPRESSAVG: 77600 -40.6868 7.84109 0.491422 3.64846 48.7649 -10.8569 -1.00214 -8.88471 -56.6492 TIMING: 77600 CPU: 224.396, 0.00286066/step Wall: 224.396, 0.00286066/step, 3.91147 hours remaining, 198.136719 MB of memory in use. ENERGY: 77600 756.3531 2078.2199 1956.7656 117.4570 -206898.6501 18250.8984 0.0000 0.0000 34371.6150 -149367.3411 300.1759 -183738.9561 -149273.9572 298.0980 159.9215 195.6847 556774.4759 -16.2252 -16.1903 PRESSURE: 77800 113.011 -159.044 -109.586 -159.044 377.067 -98.9445 -109.584 -98.946 226.401 GPRESSURE: 77800 120.584 -73.344 -140.548 -185.396 462.943 -121.271 -17.3494 -46.0429 242.104 PRESSAVG: 77800 -21.6014 -65.4652 -44.2531 -65.4653 23.5248 3.01191 -44.2531 3.01193 -28.3136 GPRESSAVG: 77800 -20.4299 -69.1187 -41.8591 -62.7246 24.7201 4.44174 -44.7897 3.21915 -30.46 TIMING: 77800 CPU: 224.973, 0.00288396/step Wall: 224.973, 0.00288396/step, 3.94317 hours remaining, 198.136719 MB of memory in use. ENERGY: 77800 747.9965 2021.2603 1930.3854 125.8444 -206814.6420 18373.3581 0.0000 0.0000 34046.5664 -149569.2308 297.3371 -183615.7972 -149470.2554 298.1121 238.8264 275.2105 556570.9644 -8.7967 -8.7233 PRESSURE: 78000 58.1469 -9.75081 -103.798 -9.75008 226.309 34.2782 -103.798 34.2781 -91.6128 GPRESSURE: 78000 140.759 -17.1668 -96.0698 -21.2223 212.428 -0.187034 -126.373 136.339 -59.8722 PRESSAVG: 78000 -28.3748 -72.9207 -11.4729 -72.9204 89.4478 4.53606 -11.4728 4.53605 -6.96197 GPRESSAVG: 78000 -29.457 -70.035 -13.1954 -74.4756 88.3448 5.60173 -10.9969 3.50613 -4.84362 TIMING: 78000 CPU: 225.548, 0.00287555/step Wall: 225.548, 0.00287555/step, 3.93151 hours remaining, 198.136719 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: 78000 754.2661 2031.4105 1941.5837 102.4046 -206586.7706 17961.2290 0.0000 0.0000 34232.5058 -149563.3709 298.9610 -183795.8767 -149465.7558 297.5197 64.2809 97.7715 556060.0046 18.0370 18.0147 PRESSURE: 78200 41.2261 22.9314 -239.898 22.9313 -159.959 107.647 -239.898 107.648 -216.859 GPRESSURE: 78200 72.4582 27.3329 -341.433 60.7288 -108.919 197.878 -162.099 66.1835 -196.163 PRESSAVG: 78200 -54.6697 36.0439 -16.8202 36.0439 54.9356 -12.7567 -16.8202 -12.7566 -16.8402 GPRESSAVG: 78200 -54.2338 34.1385 -18.8514 36.7334 54.9798 -13.5553 -16.059 -12.1231 -17.0996 TIMING: 78200 CPU: 226.126, 0.00289018/step Wall: 226.126, 0.00289019/step, 3.95136 hours remaining, 198.136719 MB of memory in use. ENERGY: 78200 746.2782 2033.4078 1922.6832 109.9012 -205973.0945 17690.8916 0.0000 0.0000 34145.8038 -149324.1286 298.2038 -183469.9324 -149227.4883 298.6882 -111.8637 -77.5412 556570.9298 -5.5248 -5.4512 PRESSURE: 78400 -368.154 117.388 -25.2778 117.388 -286.802 54.656 -25.2792 54.6558 -307.371 GPRESSURE: 78400 -370.02 63.8726 -76.2312 102.3 -228.606 25.8836 51.1924 0.782768 -280.718 PRESSAVG: 78400 13.8254 -12.1529 -29.5387 -12.1529 9.80593 12.1746 -29.5388 12.1745 -43.334 GPRESSAVG: 78400 14.6052 -11.0581 -29.4184 -12.9657 9.82783 12.0832 -29.5705 13.2379 -44.0632 TIMING: 78400 CPU: 226.706, 0.00289765/step Wall: 226.706, 0.00289765/step, 3.96141 hours remaining, 198.136719 MB of memory in use. ENERGY: 78400 742.2825 2056.6538 1916.5255 111.6516 -205684.2777 17348.4276 0.0000 0.0000 34104.0943 -149404.6425 297.8395 -183508.7368 -149311.4071 298.8765 -320.7757 -293.1144 558265.7152 -6.5675 -6.5434 PRESSURE: 78600 -221.419 -39.182 -137.548 -39.1816 -160.848 118.025 -137.547 118.026 -17.5628 GPRESSURE: 78600 -248.836 -41.2628 -100.447 -7.84548 -77.8325 146.991 -105.124 91.6232 16.1292 PRESSAVG: 78600 -15.9043 -4.07636 0.0869647 -4.07632 -34.8244 68.8108 0.0870504 68.8108 1.13281 GPRESSAVG: 78600 -17.3472 -5.07262 -0.190412 -3.08622 -34.3132 67.5952 0.387946 67.1154 1.33897 TIMING: 78600 CPU: 227.281, 0.00287406/step Wall: 227.281, 0.00287406/step, 3.929 hours remaining, 198.136719 MB of memory in use. ENERGY: 78600 742.5637 2017.2300 1963.9543 97.3927 -206265.3756 17861.0696 0.0000 0.0000 34275.4257 -149307.7396 299.3358 -183583.1653 -149209.6865 297.9036 -133.2767 -103.5131 559465.8758 -16.5320 -16.7738 PRESSURE: 78800 -25.1516 30.3122 110.298 30.3131 86.2825 152.741 110.297 152.741 23.0402 GPRESSURE: 78800 -14.6609 78.0482 151.33 74.2534 79.8615 152.647 19.1279 192.221 118.543 PRESSAVG: 78800 -33.7574 -12.9433 2.83476 -12.9433 -9.10071 72.9655 2.83487 72.9654 -2.89589 GPRESSAVG: 78800 -32.9446 -10.5722 3.55127 -14.483 -9.54045 73.373 2.30224 73.3177 -3.55239 TIMING: 78800 CPU: 227.857, 0.00288005/step Wall: 227.857, 0.00288005/step, 3.93703 hours remaining, 198.136719 MB of memory in use. ENERGY: 78800 717.9192 2064.8984 1917.6209 105.7083 -206370.9492 17857.0470 0.0000 0.0000 34405.9720 -149301.7833 300.4759 -183707.7553 -149208.0654 299.3056 28.0570 61.2478 558106.7868 -15.2513 -15.3458 PRESSURE: 79000 -208.827 104.209 -85.2585 104.211 -295.855 179.834 -85.2576 179.834 -296.168 GPRESSURE: 79000 -181.943 116.08 -92.5615 74.1885 -269.934 88.2659 -111.782 189.304 -241.567 PRESSAVG: 79000 -37.7217 28.0188 11.5709 28.0189 -22.865 64.3454 11.5709 64.3454 -0.489323 GPRESSAVG: 79000 -38.4387 27.4372 12.695 26.648 -23.3745 63.8211 9.90696 65.082 0.573113 TIMING: 79000 CPU: 228.43, 0.00286549/step Wall: 228.43, 0.00286549/step, 3.91697 hours remaining, 198.136719 MB of memory in use. ENERGY: 79000 729.2927 2028.7261 1957.6864 103.2703 -205764.8994 17554.1850 0.0000 0.0000 34041.1424 -149350.5965 297.2898 -183391.7388 -149255.3484 297.4797 -266.9500 -231.1481 560271.0351 -20.3587 -20.4134 PRESSURE: 79200 -94.6729 93.5246 100.974 93.5244 -40.4785 -27.2901 100.975 -27.2888 -2.87694 GPRESSURE: 79200 -36.1069 32.5985 135.892 130.369 -32.1965 -43.1333 137.784 -51.6794 12.8462 PRESSAVG: 79200 22.7542 32.7051 -23.2303 32.705 17.1308 84.1153 -23.2302 84.1151 -47.6301 GPRESSAVG: 79200 22.5409 32.3543 -25.457 33.8632 18.4745 85.3816 -22.4962 84.4347 -48.9645 TIMING: 79200 CPU: 229.005, 0.00287914/step Wall: 229.005, 0.00287914/step, 3.93547 hours remaining, 198.136719 MB of memory in use. ENERGY: 79200 718.9193 2057.4678 1913.2585 105.6997 -206160.4805 17782.0356 0.0000 0.0000 34209.6890 -149373.4106 298.7617 -183583.0995 -149278.3065 297.6360 -46.0094 -18.4857 558615.8522 -2.5817 -2.6497 PRESSURE: 79400 -163.691 -89.8925 192.686 -89.8925 -136.853 -135.828 192.687 -135.828 -45.6261 GPRESSURE: 79400 -162.002 -82.559 67.1497 -116.947 -44.9201 -148.3 204.247 -175.79 -43.7483 PRESSAVG: 79400 25.4926 42.6941 -19.1137 42.6941 -4.28515 -38.6793 -19.1137 -38.6794 -38.8817 GPRESSAVG: 79400 24.993 41.3683 -18.6511 43.5693 -3.35265 -39.7152 -17.929 -38.891 -39.5958 TIMING: 79400 CPU: 229.582, 0.00288336/step Wall: 229.582, 0.00288336/step, 3.94108 hours remaining, 198.136719 MB of memory in use. ENERGY: 79400 758.3760 2087.9471 1924.2373 113.9067 -205982.3632 17691.9005 0.0000 0.0000 34109.3214 -149296.6742 297.8852 -183405.9956 -149201.0457 297.8026 -115.3901 -83.5569 558382.2346 -5.8914 -5.9851 PRESSURE: 79600 -139.601 -47.9092 52.1295 -47.9086 140.14 59.2321 52.1298 59.2328 85.3927 GPRESSURE: 79600 -102.748 6.13939 91.5374 -22.7092 192.103 25.1869 -35.4609 102.085 87.4712 PRESSAVG: 79600 71.4749 4.81543 -24.1953 4.81537 46.2403 4.59356 -24.1953 4.59358 -78.0274 GPRESSAVG: 79600 72.6335 5.53655 -23.0323 3.80318 44.1959 4.62311 -24.4811 3.9087 -77.5892 TIMING: 79600 CPU: 230.157, 0.00287521/step Wall: 230.157, 0.00287521/step, 3.92977 hours remaining, 198.136719 MB of memory in use. ENERGY: 79600 743.2242 2121.7942 1931.7218 110.9366 -206260.7644 17908.8774 0.0000 0.0000 34211.0315 -149233.1786 298.7734 -183444.2102 -149142.6770 298.3467 28.6438 58.9420 557493.8949 13.2293 13.0801 PRESSURE: 79800 143.055 -48.2533 46.9827 -48.2542 7.63629 41.1948 46.983 41.1935 169.466 GPRESSURE: 79800 191.81 -3.92285 58.4331 -33.0213 47.3204 34.1916 119.317 23.1269 170.22 PRESSAVG: 79800 -31.4022 3.75719 12.9286 3.75713 52.5523 -18.5759 12.9287 -18.5759 -74.6744 GPRESSAVG: 79800 -31.3003 5.73979 14.9929 2.98621 52.6784 -16.4559 11.2329 -19.0392 -74.9427 TIMING: 79800 CPU: 230.735, 0.00288994/step Wall: 230.735, 0.00288994/step, 3.94975 hours remaining, 198.136719 MB of memory in use. ENERGY: 79800 756.1497 2077.7731 1954.5746 98.9977 -206072.1342 17824.4729 0.0000 0.0000 34320.9804 -149039.1859 299.7337 -183360.1662 -148943.7053 298.9754 106.7191 136.4501 557364.4110 -17.8414 -17.8548 PRESSURE: 80000 69.0228 -69.5818 -102.5 -69.5821 119.367 16.9531 -102.5 16.9531 -58.8641 GPRESSURE: 80000 133.586 -144.547 -70.8809 -62.1603 123.893 -4.80691 -110.935 73.2298 -33.1556 PRESSAVG: 80000 73.4041 19.0589 6.70978 19.0589 -45.8096 -47.8852 6.70971 -47.8852 -41.7064 GPRESSAVG: 80000 72.2256 17.9047 4.20394 20.2082 -46.321 -47.9561 8.86695 -48.928 -40.1388 TIMING: 80000 CPU: 231.315, 0.0028986/step Wall: 231.315, 0.0028986/step, 3.96142 hours remaining, 198.136719 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: 80000 738.5389 2091.9061 1903.0898 107.4665 -206035.2963 17932.5855 0.0000 0.0000 34076.8120 -149184.8974 297.6013 -183261.7094 -149087.6071 298.9788 43.1751 74.7747 558660.1300 -4.7040 -4.7447 PRESSURE: 80200 -31.2246 -103.222 -94.0232 -103.222 -35.7453 -215.896 -94.0236 -215.896 -4.47251 GPRESSURE: 80200 118.357 -94.5458 -147.368 -108.227 -32.6376 -175.442 -61.8564 -179.501 -64.5855 PRESSAVG: 80200 -40.7433 -28.215 -19.9188 -28.2151 47.7753 -51.95 -19.9188 -51.9502 17.4575 GPRESSAVG: 80200 -39.1894 -27.7498 -18.9073 -26.3649 49.0799 -52.945 -22.1494 -47.8197 15.3448 TIMING: 80200 CPU: 231.894, 0.00289475/step Wall: 231.894, 0.00289475/step, 3.956 hours remaining, 198.136719 MB of memory in use. ENERGY: 80200 745.4202 2059.7624 1949.6278 108.7762 -206264.7678 17875.7008 0.0000 0.0000 34271.9035 -149253.5769 299.3051 -183525.4803 -149147.8784 298.8887 -23.8141 7.0446 557536.8069 8.1632 8.4118 LDB: ============= START OF LOAD BALANCING ============== 235.278 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 235.278 LDB: =============== DONE WITH MIGRATION ================ 235.28 LDB: ============= START OF LOAD BALANCING ============== 235.569 LDB: Largest compute 4801 load 0.022938 is 19.5% of average load 0.117817 LDB: Average compute 0.001708 is 1.5% of average load 0.117817 LDB: TIME 235.571 LOAD: AVG 0.117817 MAX 0.180733 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.449 MB LDB: TIME 235.572 LOAD: AVG 0.117817 MAX 0.180733 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.449 MB LDB: TIME 235.572 LOAD: AVG 0.117817 MAX 0.180733 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.449 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 235.573 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 235.577 PRESSURE: 80400 -39.0384 -69.283 183.439 -69.2829 -159.435 -30.0408 183.439 -30.0404 -133.932 GPRESSURE: 80400 -59.6952 -23.2734 233.803 28.0748 -110.39 -105.641 166.806 24.8917 -58.7448 PRESSAVG: 80400 -28.521 -25.1187 56.6371 -25.1186 21.951 -71.0866 56.6372 -71.0866 32.3734 GPRESSAVG: 80400 -29.2507 -25.1503 59.24 -28.1305 21.6884 -70.9758 54.583 -74.2003 33.4372 TIMING: 80400 CPU: 232.482, 0.00294042/step Wall: 232.482, 0.00294042/step, 4.01825 hours remaining, 200.238281 MB of memory in use. ENERGY: 80400 767.8185 2066.7534 1947.7672 115.1291 -206243.6260 17820.0350 0.0000 0.0000 34176.5369 -149349.5857 298.4722 -183526.1227 -149252.0592 298.7425 -110.8019 -76.2766 557901.3910 8.6011 8.6250 PRESSURE: 80600 238.432 25.7713 -34.4044 25.772 -288.201 -150.589 -34.4034 -150.588 145.355 GPRESSURE: 80600 239.969 -15.1739 -53.684 25.1578 -185.857 -59.3284 27.6862 -202.77 151.808 PRESSAVG: 80600 23.0418 3.28608 21.1331 3.28607 -57.4453 -42.7935 21.1332 -42.7935 57.4651 GPRESSAVG: 80600 22.9898 2.02156 19.6601 5.74575 -56.7553 -40.7721 24.0854 -43.4866 56.7243 TIMING: 80600 CPU: 233.06, 0.00288807/step Wall: 233.06, 0.00288807/step, 3.94654 hours remaining, 200.566406 MB of memory in use. ENERGY: 80600 762.9650 2056.8027 1974.3736 110.4831 -206259.5798 17835.0368 0.0000 0.0000 34212.3344 -149307.5842 298.7848 -183519.9186 -149217.1993 298.2961 31.8621 68.6399 557548.6480 7.6872 7.6529 PRESSURE: 80800 263.5 77.4282 -31.1019 77.4292 -41.937 75.8454 -31.1008 75.845 73.9262 GPRESSURE: 80800 312.765 80.6037 -63.1754 125.776 -39.6335 29.5944 -75.0259 33.1869 109.585 PRESSAVG: 80800 -20.2578 20.0312 -33.1988 20.0312 18.4518 -33.0095 -33.1988 -33.0096 9.54052 GPRESSAVG: 80800 -19.6851 22.7355 -35.6653 18.3247 17.2373 -35.5338 -32.4691 -31.5198 10.2997 TIMING: 80800 CPU: 233.638, 0.00289286/step Wall: 233.638, 0.00289286/step, 3.95293 hours remaining, 200.566406 MB of memory in use. ENERGY: 80800 717.3872 2124.7852 1937.8211 124.5489 -206477.8027 17911.4449 0.0000 0.0000 34397.0479 -149264.7675 300.3980 -183661.8154 -149166.0053 299.1311 98.4964 127.5719 557090.3982 2.5782 2.6173 PRESSURE: 81000 -110.67 -60.5261 13.1667 -60.5257 -181.667 57.5656 13.1674 57.5653 -99.7575 GPRESSURE: 81000 -75.9869 -67.2157 12.7672 -103.359 -125.504 115.974 -0.760305 23.4873 -84.171 PRESSAVG: 81000 -42.7302 -30.2385 -0.227265 -30.2384 27.2066 -9.52042 -0.227319 -9.52041 18.1017 GPRESSAVG: 81000 -44.477 -31.0323 2.47353 -28.8655 28.0381 -9.30369 -1.63805 -10.6657 18.9979 TIMING: 81000 CPU: 234.213, 0.00287689/step Wall: 234.213, 0.00287689/step, 3.93094 hours remaining, 200.566406 MB of memory in use. ENERGY: 81000 766.3242 2121.5507 1962.7554 115.8059 -206225.3371 17652.4546 0.0000 0.0000 34188.6499 -149417.7964 298.5780 -183606.4462 -149320.2932 299.1561 -130.6980 -95.2205 556479.8266 0.8593 0.8530 PRESSURE: 81200 -104.458 170.565 -7.06003 170.566 23.7848 -26.7267 -7.05942 -26.7272 16.2426 GPRESSURE: 81200 -18.7829 169.96 -20.7414 177.993 27.0765 -30.6354 50.4467 -74.2262 43.7633 PRESSAVG: 81200 -72.3526 9.08123 -45.9003 9.08126 53.0927 -48.8881 -45.9003 -48.8882 10.3429 GPRESSAVG: 81200 -73.0767 10.3795 -48.2608 6.67792 53.4909 -48.0238 -46.0505 -49.4329 11.0531 TIMING: 81200 CPU: 234.79, 0.00288397/step Wall: 234.79, 0.00288397/step, 3.94047 hours remaining, 200.566406 MB of memory in use. ENERGY: 81200 767.5255 2064.3427 1926.2830 121.8452 -206521.1656 18041.9932 0.0000 0.0000 34130.2726 -149468.9034 298.0682 -183599.1759 -149379.6073 297.9213 -21.4767 17.3523 557501.4167 -2.9724 -2.8442 PRESSURE: 81400 -41.6411 149.728 -26.9168 149.728 163.965 63.1793 -26.9152 63.1783 -302.679 GPRESSURE: 81400 3.43474 107.377 -88.3588 170.582 217.222 141.28 12.4265 21.2214 -301.469 PRESSAVG: 81400 4.20584 25.3842 -29.4523 25.3842 -69.4417 -16.727 -29.4523 -16.727 7.65895 GPRESSAVG: 81400 5.55585 23.9873 -28.8994 25.7164 -69.2357 -15.37 -29.5126 -16.1294 6.14649 TIMING: 81400 CPU: 235.369, 0.00289175/step Wall: 235.369, 0.00289175/step, 3.95093 hours remaining, 200.566406 MB of memory in use. ENERGY: 81400 757.0414 2069.0113 1970.7213 121.9670 -206602.5496 17966.7575 0.0000 0.0000 34039.4478 -149677.6034 297.2750 -183717.0511 -149583.0072 297.9097 -60.1185 -26.9375 559100.4837 -19.1923 -19.1778 PRESSURE: 81600 -179.14 -41.0249 231.905 -41.0267 -168.181 -222.304 231.904 -222.307 -335.332 GPRESSURE: 81600 -108.036 -63.3868 213.174 -56.5551 -155.215 -147.156 237.871 -217.36 -315.697 PRESSAVG: 81600 -6.05604 -0.209955 65.6701 -0.209967 16.2478 -15.7741 65.67 -15.7741 1.84705 GPRESSAVG: 81600 -6.23271 0.194611 65.556 0.302902 16.3916 -17.1667 66.1557 -14.0611 2.16944 TIMING: 81600 CPU: 235.944, 0.00287453/step Wall: 235.944, 0.00287453/step, 3.92724 hours remaining, 200.566406 MB of memory in use. ENERGY: 81600 743.2954 2038.6509 1948.5658 135.8890 -205859.7026 17414.7020 0.0000 0.0000 33861.9293 -149716.6703 295.7247 -183578.5996 -149617.8855 297.4152 -227.5508 -192.9825 558344.7984 4.0129 4.1095 PRESSURE: 81800 284.349 -143.09 88.7931 -143.089 -64.559 22.4971 88.7941 22.4982 45.1621 GPRESSURE: 81800 287.557 -121.269 22.2489 -174.058 -56.644 15.2635 231.906 -45.8333 146.395 PRESSAVG: 81800 8.48195 -21.9301 20.6224 -21.9302 -25.6174 -45.6417 20.6224 -45.6416 52.9996 GPRESSAVG: 81800 7.46231 -19.7291 20.3464 -22.6961 -26.1915 -44.8388 20.9554 -46.7426 54.4202 TIMING: 81800 CPU: 236.521, 0.00288635/step Wall: 236.521, 0.00288635/step, 3.94323 hours remaining, 200.566406 MB of memory in use. ENERGY: 81800 724.0323 2043.0020 1953.5143 115.5186 -206408.2854 17972.7517 0.0000 0.0000 33822.8257 -149776.6409 295.3831 -183599.4665 -149682.8170 297.5458 88.3172 125.7693 555865.6123 11.9547 11.8970 PRESSURE: 82000 -133.394 28.5011 -14.6806 28.5018 -133.912 -30.7907 -14.6794 -30.7892 -93.3142 GPRESSURE: 82000 -66.5082 -60.385 42.6427 115.288 -127.791 20.4033 -42.3211 -77.703 -60.3526 PRESSAVG: 82000 20.3513 -13.3811 28.0102 -13.381 -31.1596 6.46564 28.0103 6.46563 -14.2511 GPRESSAVG: 82000 21.6799 -15.8113 28.1638 -12.4664 -30.8874 5.96601 27.2629 7.40877 -15.8238 TIMING: 82000 CPU: 237.098, 0.00288633/step Wall: 237.098, 0.00288633/step, 3.94304 hours remaining, 200.566406 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: 82000 785.6832 2112.1055 1953.3344 125.4961 -206445.4229 17697.2993 0.0000 0.0000 34200.1994 -149571.3050 298.6788 -183771.5044 -149479.4868 298.5175 -120.2067 -84.8840 556789.0763 -8.3531 -8.3438 PRESSURE: 82200 -248.052 19.7533 -110.037 19.7531 -147.707 -49.8075 -110.037 -49.8071 -221.459 GPRESSURE: 82200 -191.473 36.7128 -48.5911 91.1755 -81.4511 -46.5412 -117.957 48.7763 -248.325 PRESSAVG: 82200 44.9687 -28.8339 -7.30769 -28.834 5.63934 38.187 -7.30771 38.187 -33.635 GPRESSAVG: 82200 45.7891 -28.1485 -6.55806 -29.3692 6.21463 37.5089 -6.07765 38.1067 -35.07 TIMING: 82200 CPU: 237.675, 0.0028846/step Wall: 237.675, 0.0028846/step, 3.94052 hours remaining, 200.566406 MB of memory in use. ENERGY: 82200 774.5916 2083.6909 1960.6006 95.6283 -206284.6863 17691.0596 0.0000 0.0000 34084.7531 -149594.3621 297.6706 -183679.1152 -149496.3805 298.3880 -205.7396 -173.7495 557541.1909 5.6577 5.6446 PRESSURE: 82400 -139.121 -65.5377 -119.842 -65.5383 79.7203 67.357 -119.843 67.3593 260.536 GPRESSURE: 82400 -81.0354 -72.1586 -69.6566 -31.3768 89.2359 35.3115 -68.6719 140.731 302.674 PRESSAVG: 82400 -26.2925 7.95069 -24.141 7.95067 83.0927 54.4954 -24.1411 54.4954 -45.0911 GPRESSAVG: 82400 -26.7668 7.06362 -25.6037 8.11906 81.299 55.0099 -24.129 54.6298 -43.311 TIMING: 82400 CPU: 238.256, 0.00290283/step Wall: 238.256, 0.00290283/step, 3.96526 hours remaining, 200.566406 MB of memory in use. ENERGY: 82400 752.8802 2098.7557 1975.6185 107.5845 -206260.1250 17953.4858 0.0000 0.0000 33907.0977 -149464.7026 296.1191 -183371.8003 -149369.0435 298.8686 67.0450 103.6247 556076.0222 3.9030 3.7404 PRESSURE: 82600 -16.4396 175.109 23.5927 175.11 180.274 97.1232 23.5921 97.1241 88.4999 GPRESSURE: 82600 34.527 189.688 98.0827 162.132 215.156 130.929 -64.227 107.813 98.842 PRESSAVG: 82600 -62.7993 20.6357 -21.2058 20.6358 113.04 48.2991 -21.2059 48.2991 -37.5065 GPRESSAVG: 82600 -64.2187 21.3802 -19.4329 19.1708 115.472 48.0631 -23.3789 49.371 -38.3125 TIMING: 82600 CPU: 238.827, 0.00285881/step Wall: 238.827, 0.00285881/step, 3.90498 hours remaining, 200.566406 MB of memory in use. ENERGY: 82600 783.7335 2064.5987 1965.6190 118.5453 -206431.4351 17962.4259 0.0000 0.0000 34156.7149 -149379.7978 298.2991 -183536.5127 -149285.0951 299.7286 84.1115 116.1751 555644.7258 4.2446 4.3138 PRESSURE: 82800 -60.5399 75.9931 -42.9663 75.9918 -22.4612 132.215 -42.9654 132.217 -145.739 GPRESSURE: 82800 -31.2252 75.4034 -74.0071 46.4133 31.5655 115.987 -47.9187 177.689 -139.218 PRESSAVG: 82800 -36.5425 -27.3984 -31.865 -27.3983 106.736 34.9574 -31.865 34.9573 -48.7033 GPRESSAVG: 82800 -36.5142 -29.7563 -33.9071 -25.2405 106.834 33.3994 -27.9394 34.1028 -48.6548 TIMING: 82800 CPU: 239.407, 0.0028982/step Wall: 239.407, 0.0028982/step, 3.95861 hours remaining, 200.566406 MB of memory in use. ENERGY: 82800 744.4578 2109.5578 1942.4388 116.8933 -206169.8942 17808.0987 0.0000 0.0000 34300.1468 -149148.3010 299.5517 -183448.4479 -149049.2156 299.1356 -76.2466 -46.2927 557148.3722 7.1634 7.2217 PRESSURE: 83000 54.2159 144.652 141.526 144.651 310.748 -95.4044 141.526 -95.4046 146.108 GPRESSURE: 83000 82.3318 132.219 38.9438 168.665 344.4 -129.5 177.984 -90.5498 165.195 PRESSAVG: 83000 11.1973 -48.7585 20.3432 -48.7585 61.1457 -60.793 20.3432 -60.7929 -2.48553 GPRESSAVG: 83000 11.1059 -46.36 19.3135 -48.0762 61.2388 -59.4016 19.8101 -62.1157 -2.87397 TIMING: 83000 CPU: 239.981, 0.00286967/step Wall: 239.981, 0.00286967/step, 3.91949 hours remaining, 200.566406 MB of memory in use. ENERGY: 83000 720.5698 2053.9638 1975.5155 103.9420 -206324.9190 18096.2826 0.0000 0.0000 34240.0211 -149134.6242 299.0266 -183374.6453 -149031.4658 300.0559 170.3572 197.3090 556703.3193 23.2858 23.1569 PRESSURE: 83200 35.2022 -23.0783 -75.0637 -23.0787 -31.681 -40.6424 -75.0645 -40.6423 -101.861 GPRESSURE: 83200 8.43398 -50.4799 -128.243 -2.95717 57.8409 -47.4685 -61.2385 -135.441 -56.4813 PRESSAVG: 83200 -18.4654 6.81224 -41.1681 6.81228 -24.2597 -56.1423 -41.1681 -56.1423 43.8521 GPRESSAVG: 83200 -17.8862 7.04945 -38.4322 6.2431 -25.6462 -54.7696 -43.6086 -56.3462 44.8077 TIMING: 83200 CPU: 240.555, 0.00286989/step Wall: 240.555, 0.00286988/step, 3.91962 hours remaining, 200.566406 MB of memory in use. ENERGY: 83200 739.8402 2074.5156 1940.7502 124.4918 -206233.5780 17857.2982 0.0000 0.0000 34273.4698 -149223.2123 299.3187 -183496.6821 -149128.7039 299.1434 -32.7800 3.2645 558283.2877 0.3757 0.4251 PRESSURE: 83400 27.4758 -40.4101 12.3384 -40.4095 -201.003 105.938 12.3384 105.939 -282.809 GPRESSURE: 83400 38.6747 -8.98779 66.3974 -31.4313 -187.698 66.6789 -47.0187 236.311 -211.022 PRESSAVG: 83400 22.9687 25.0802 -36.957 25.0802 -46.8024 -19.2811 -36.9571 -19.2811 13.2424 GPRESSAVG: 83400 22.2863 24.3825 -35.8262 24.2009 -46.7 -21.6513 -38.0981 -15.5548 13.6383 TIMING: 83400 CPU: 241.128, 0.00286511/step Wall: 241.128, 0.00286511/step, 3.91295 hours remaining, 200.566406 MB of memory in use. ENERGY: 83400 756.5182 2060.8004 1950.4252 107.9576 -205818.6749 17747.6419 0.0000 0.0000 34009.2546 -149186.0769 297.0113 -183195.3315 -149083.9958 299.3868 -152.1122 -120.0151 558631.7343 -3.5305 -3.5918 PRESSURE: 83600 -57.8547 -34.3888 2.07109 -34.3887 47.8046 80.2874 2.07099 80.2883 12.493 GPRESSURE: 83600 1.18177 -17.2971 33.1728 -52.1119 40.8159 72.2684 -11.3289 42.0991 50.2605 PRESSAVG: 83600 8.90643 12.164 -55.078 12.1641 20.9946 30.4406 -55.0779 30.4406 -30.473 GPRESSAVG: 83600 10.3061 10.9242 -57.9712 13.7825 20.3191 31.8752 -54.159 26.9901 -30.6824 TIMING: 83600 CPU: 241.703, 0.00287432/step Wall: 241.703, 0.00287432/step, 3.92536 hours remaining, 200.566406 MB of memory in use. ENERGY: 83600 778.7594 2100.7183 1968.7090 112.4894 -206461.9628 18142.1008 0.0000 0.0000 34343.9316 -149015.2543 299.9341 -183359.1859 -148921.4637 299.8658 0.8143 30.7527 559536.7136 -0.1907 -0.0191 PRESSURE: 83800 135.233 12.4792 91.2176 12.4795 -96.4555 89.9524 91.2171 89.9517 63.686 GPRESSURE: 83800 152.317 11.9795 141.894 28.5224 -104.446 85.2414 103.386 71.6837 151.938 PRESSAVG: 83800 4.44497 -15.992 13.7156 -15.992 -14.7262 -22.0471 13.7155 -22.0471 26.1247 GPRESSAVG: 83800 3.74235 -15.2445 16.0132 -17.2073 -13.8581 -22.5285 13.5488 -20.2486 26.2458 TIMING: 83800 CPU: 242.278, 0.00287813/step Wall: 242.278, 0.00287813/step, 3.93041 hours remaining, 200.566406 MB of memory in use. ENERGY: 83800 716.1327 2120.6825 1943.5723 118.4969 -206426.1536 18008.3394 0.0000 0.0000 34432.1694 -149086.7605 300.7047 -183518.9298 -148985.0527 299.7964 34.1547 66.6032 558770.6167 5.2812 5.3767 PRESSURE: 84000 -375.973 48.9893 101.895 48.9903 136.483 -23.7549 101.896 -23.7548 59.6537 GPRESSURE: 84000 -275.803 55.2657 90.8284 16.9508 173.27 -43.6021 157.335 -43.9877 23.7311 PRESSAVG: 84000 5.44384 -16.2159 54.84 -16.2159 -6.82261 11.0734 54.8401 11.0734 -25.4292 GPRESSAVG: 84000 6.01254 -14.5953 51.7474 -16.8301 -7.1085 11.2672 57.1477 11.2667 -25.7911 TIMING: 84000 CPU: 242.853, 0.00287073/step Wall: 242.853, 0.00287073/step, 3.92014 hours remaining, 200.566406 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: 84000 698.5209 2116.3892 1935.7810 123.6658 -205730.7068 17615.3453 0.0000 0.0000 34070.2705 -149170.7341 297.5441 -183241.0046 -149071.7415 299.4958 -59.9456 -26.2673 559165.3908 -8.9360 -8.9624 PRESSURE: 84200 -77.9893 -113.664 -36.6435 -113.663 -51.1524 -25.8653 -36.6446 -25.8653 -109.582 GPRESSURE: 84200 -56.561 -234.325 -63.3265 -5.02151 14.6297 -47.7663 -25.1345 -18.3732 -105.716 PRESSAVG: 84200 35.4015 43.3529 -8.9884 43.3529 -66.7165 25.6867 -8.98836 25.6867 18.0209 GPRESSAVG: 84200 35.513 42.8177 -7.8892 44.9303 -67.3746 25.0999 -10.1056 26.4578 17.975 TIMING: 84200 CPU: 243.429, 0.00288344/step Wall: 243.429, 0.00288344/step, 3.93734 hours remaining, 200.628906 MB of memory in use. ENERGY: 84200 736.9087 2117.5675 1974.1424 123.3514 -205918.1193 17560.0844 0.0000 0.0000 34445.0442 -148961.0208 300.8171 -183406.0650 -148864.7218 300.1681 -79.5744 -49.2156 559008.4826 -4.4314 -4.6289 LDB: ============= START OF LOAD BALANCING ============== 246.814 LDB: ============== END OF LOAD BALANCING =============== 246.814 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 246.816 LDB: ============= START OF LOAD BALANCING ============== 247.104 LDB: Largest compute 4801 load 0.023585 is 20.0% of average load 0.117792 LDB: Average compute 0.001708 is 1.5% of average load 0.117792 LDB: TIME 247.107 LOAD: AVG 0.117792 MAX 0.178405 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.438 MB LDB: TIME 247.107 LOAD: AVG 0.117792 MAX 0.178405 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.641 MB LDB: TIME 247.107 LOAD: AVG 0.117792 MAX 0.178405 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 247.109 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 247.113 PRESSURE: 84400 52.3322 -7.70028 37.4371 -7.70099 140.497 -121.278 37.4365 -121.277 -14.7531 GPRESSURE: 84400 124.558 -99.3086 -36.1791 -42.0787 182.136 -104.281 153.81 -114.813 -35.0841 PRESSAVG: 84400 -21.2871 -34.9849 39.7211 -34.985 -13.6275 8.27912 39.7211 8.27902 -19.8372 GPRESSAVG: 84400 -21.5385 -34.8672 39.2989 -33.5138 -13.2007 9.29195 40.4556 7.36644 -20.0424 TIMING: 84400 CPU: 244.017, 0.00293928/step Wall: 244.017, 0.00293928/step, 4.01342 hours remaining, 199.789062 MB of memory in use. ENERGY: 84400 709.2608 2061.4124 1935.4795 108.2696 -205928.7188 17697.7805 0.0000 0.0000 34137.6919 -149278.8242 298.1330 -183416.5161 -149177.4964 299.4557 59.3587 90.5368 556151.7818 -18.2506 -18.2605 PRESSURE: 84600 -76.0725 100.398 82.7381 100.397 45.9108 85.5663 82.7391 85.5653 -7.4655 GPRESSURE: 84600 -102.629 170.124 68.8374 171.785 101.447 92.148 37.9429 126.837 54.6346 PRESSAVG: 84600 -22.4518 51.7589 64.9175 51.7588 52.9969 -21.9221 64.9175 -21.9222 37.5724 GPRESSAVG: 84600 -23.7802 51.9287 65.8824 49.4562 53.3474 -23.3567 64.9649 -20.0331 37.6497 TIMING: 84600 CPU: 244.589, 0.00286027/step Wall: 244.589, 0.00286027/step, 3.90539 hours remaining, 199.992188 MB of memory in use. ENERGY: 84600 783.2907 2011.7489 1945.7322 115.3345 -206221.3866 17832.2024 0.0000 0.0000 34220.3859 -149312.6921 298.8551 -183533.0779 -149216.8260 298.8348 -12.5424 17.8176 556669.0644 22.7058 22.4056 PRESSURE: 84800 -172.23 154.816 23.1207 154.816 154.373 -51.9797 23.1221 -51.9799 -254.009 GPRESSURE: 84800 -156.288 104.036 -26.1586 174.226 223.993 -26.1144 30.1847 -39.0375 -239.556 PRESSAVG: 84800 -57.8878 30.3223 18.9636 30.3223 40.1678 -2.04661 18.9636 -2.04644 3.82365 GPRESSAVG: 84800 -56.2171 31.3857 17.7172 32.1723 39.9333 -0.565499 19.3063 -4.67816 2.33355 TIMING: 84800 CPU: 245.16, 0.00285267/step Wall: 245.16, 0.00285267/step, 3.89484 hours remaining, 200.277344 MB of memory in use. ENERGY: 84800 749.5516 2113.2981 1960.5937 117.2441 -206151.2967 17698.8143 0.0000 0.0000 34076.4048 -149435.3902 297.5977 -183511.7950 -149343.0331 298.4656 -90.6217 -57.2836 557815.0258 -4.6321 -4.6501 PRESSURE: 85000 -138.75 75.2234 -145.578 75.2232 -130.86 49.6732 -145.578 49.6716 59.674 GPRESSURE: 85000 -147.985 128.364 -147.221 33.5036 -82.0481 43.4961 -48.5138 71.3413 118.869 PRESSAVG: 85000 28.7633 52.331 21.6348 52.331 11.5621 -19.0452 21.6347 -19.0453 -8.78733 GPRESSAVG: 85000 28.4248 50.2953 22.0016 51.9264 11.2513 -16.9867 22.1671 -20.4446 -7.54892 TIMING: 85000 CPU: 245.736, 0.00287932/step Wall: 245.736, 0.00287932/step, 3.93107 hours remaining, 200.277344 MB of memory in use. ENERGY: 85000 750.9344 2081.4733 1936.8161 121.9042 -206289.3933 17833.9313 0.0000 0.0000 34027.0619 -149537.2722 297.1668 -183564.3341 -149439.4743 298.2050 -69.9786 -37.0548 559288.0577 10.5127 10.7091 PRESSURE: 85200 -302.396 9.84329 -84.0125 9.84425 -90.4572 -32.2661 -84.0123 -32.2677 -74.8453 GPRESSURE: 85200 -262.349 50.8963 -118.179 -93.3827 -13.7133 -63.5053 -22.1166 -115.888 -100.962 PRESSAVG: 85200 35.7365 4.31807 -27.0522 4.3181 4.92447 -49.6195 -27.0522 -49.6196 -24.9638 GPRESSAVG: 85200 36.2359 4.38456 -27.9156 3.66354 5.25241 -50.6786 -27.4661 -49.7302 -25.8683 TIMING: 85200 CPU: 246.311, 0.00287615/step Wall: 246.311, 0.00287615/step, 3.92659 hours remaining, 200.277344 MB of memory in use. ENERGY: 85200 737.0354 2132.2954 1956.4691 106.9021 -205944.8608 17610.8536 0.0000 0.0000 33973.0190 -149428.2862 296.6948 -183401.3052 -149325.1992 298.7066 -155.8994 -125.6749 558360.5024 5.2324 5.2067 PRESSURE: 85400 -360.346 -2.6843 -95.6467 -2.68489 -169.573 -124.303 -95.6472 -124.303 -222.336 GPRESSURE: 85400 -293.876 -34.9073 -67.682 67.711 -149.274 -88.1838 -72.3237 -200.52 -211.216 PRESSAVG: 85400 -27.5408 23.4786 17.0355 23.4786 16.1467 -11.0327 17.0354 -11.0328 0.823894 GPRESSAVG: 85400 -26.2398 22.283 19.2247 25.4604 14.8118 -13.1486 16.8672 -9.15729 1.27464 TIMING: 85400 CPU: 246.883, 0.00286283/step Wall: 246.883, 0.00286283/step, 3.90823 hours remaining, 200.277344 MB of memory in use. ENERGY: 85400 763.4298 2073.2799 1931.8821 108.6443 -206244.6456 17757.6906 0.0000 0.0000 34158.3774 -149451.3415 298.3136 -183609.7189 -149351.3415 298.1084 -250.7515 -218.1220 561578.2802 -3.5234 -3.3844 PRESSURE: 85600 353.345 23.8515 14.1525 23.852 112.795 31.175 14.152 31.176 251.535 GPRESSURE: 85600 326.216 -12.3659 6.81464 112.702 165.579 10.3968 82.9934 18.7604 333.402 PRESSAVG: 85600 -54.4522 36.1901 1.78789 36.1901 99.7688 -3.53881 1.7879 -3.53862 -33.5186 GPRESSAVG: 85600 -55.6779 38.4045 0.715029 34.6083 101.767 -2.45133 1.32633 -4.94439 -33.6031 TIMING: 85600 CPU: 247.459, 0.00288025/step Wall: 247.459, 0.00288025/step, 3.93186 hours remaining, 200.277344 MB of memory in use. ENERGY: 85600 745.7969 2087.7272 1981.2806 115.4615 -206994.1126 18389.4709 0.0000 0.0000 34242.9665 -149431.4089 299.0523 -183674.3754 -149340.0190 298.6304 239.2248 275.0657 557953.1567 3.9327 4.1621 PRESSURE: 85800 95.9828 88.6117 -2.98194 88.6104 -216.302 -78.9021 -2.98096 -78.9025 109.747 GPRESSURE: 85800 112.41 114.842 -45.9356 38.5741 -192.816 -46.2336 -54.5235 -131.914 168.459 PRESSAVG: 85800 11.0382 60.1515 -25.6247 60.1515 -17.5239 -19.1913 -25.6247 -19.1915 -15.0663 GPRESSAVG: 85800 11.6965 58.7351 -27.1451 60.0401 -17.5433 -21.9049 -25.3145 -16.837 -15.8106 TIMING: 85800 CPU: 248.038, 0.00289181/step Wall: 248.038, 0.00289181/step, 3.94749 hours remaining, 200.277344 MB of memory in use. ENERGY: 85800 741.2844 2087.9444 1960.2844 115.9144 -206195.5384 17753.2433 0.0000 0.0000 34055.7649 -149481.1027 297.4175 -183536.8676 -149392.1658 298.2809 -3.5239 29.3510 557944.0061 -7.1840 -7.2191 PRESSURE: 86000 23.7252 -70.4361 22.3745 -70.4347 -37.2496 -112.214 22.3744 -112.214 57.0056 GPRESSURE: 86000 34.1975 -83.9548 -112.974 -66.415 32.8293 -130.282 61.1825 -120.982 88.7819 PRESSAVG: 86000 7.92068 23.6536 34.6366 23.6537 55.6961 -29.5056 34.6366 -29.5057 -18.2343 GPRESSAVG: 86000 8.47832 24.0183 35.1576 23.3819 54.1701 -27.6625 35.2665 -30.3703 -17.981 TIMING: 86000 CPU: 248.611, 0.00286819/step Wall: 248.611, 0.00286819/step, 3.91508 hours remaining, 200.277344 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: 86000 736.4553 2118.9171 1939.5882 124.1020 -206210.9040 17723.9770 0.0000 0.0000 34175.2989 -149392.5655 298.4614 -183567.8644 -149295.7163 298.3726 14.4937 51.9362 556371.7181 15.1275 14.8891 PRESSURE: 86200 -73.2335 93.4853 -72.6268 93.4849 -123.416 45.3058 -72.6273 45.3052 -260.663 GPRESSURE: 86200 -77.5098 -29.3097 -75.4151 144.525 -67.914 -12.6066 -6.40846 10.5869 -210.001 PRESSAVG: 86200 9.85646 39.3213 -42.1862 39.3213 -17.1346 -86.7031 -42.1862 -86.703 48.3977 GPRESSAVG: 86200 9.27566 38.9451 -42.0157 39.6783 -16.4726 -86.5629 -43.2518 -86.6954 48.3974 TIMING: 86200 CPU: 249.187, 0.00288047/step Wall: 249.187, 0.00288047/step, 3.93169 hours remaining, 200.277344 MB of memory in use. ENERGY: 86200 786.5233 2082.3540 1974.5548 118.7865 -206376.3014 17851.2017 0.0000 0.0000 34255.5795 -149307.3017 299.1625 -183562.8812 -149209.8270 299.1163 -152.4377 -118.4751 558189.6575 13.7065 13.7335 PRESSURE: 86400 -48.1299 -46.7454 155.794 -46.7466 -34.8135 -108.274 155.792 -108.274 -77.6333 GPRESSURE: 86400 -28.3561 16.639 202.337 -83.18 0.0773334 -93.6586 120.327 -130.787 -27.6485 PRESSAVG: 86400 -34.0243 33.635 39.7931 33.635 37.9943 -37.3755 39.7932 -37.3756 22.044 GPRESSAVG: 86400 -32.4515 33.0046 39.1271 32.8541 37.158 -36.6415 39.591 -38.0262 21.6784 TIMING: 86400 CPU: 249.767, 0.00289712/step Wall: 249.767, 0.00289712/step, 3.95425 hours remaining, 200.277344 MB of memory in use. ENERGY: 86400 759.0002 2084.1817 1941.0638 96.9182 -206367.6026 17819.3328 0.0000 0.0000 34392.3125 -149274.7934 300.3566 -183667.1059 -149176.5623 299.4104 -53.5256 -18.6424 558555.2522 8.6713 8.7950 PRESSURE: 86600 -147.64 147.232 103.361 147.232 188.334 -6.49276 103.361 -6.49235 -47.1937 GPRESSURE: 86600 -124.367 208.753 138.785 126.903 205.985 77.9974 41.2407 -31.8156 -4.5709 PRESSAVG: 86600 -6.40548 62.8624 91.1164 62.8623 14.8652 -30.5321 91.1165 -30.5322 -34.9218 GPRESSAVG: 86600 -6.69221 64.7554 90.179 61.8639 15.505 -30.8933 91.415 -29.8694 -35.0843 TIMING: 86600 CPU: 250.351, 0.00292036/step Wall: 250.351, 0.00292035/step, 3.9858 hours remaining, 200.277344 MB of memory in use. ENERGY: 86600 730.5067 2106.3726 1955.0125 116.1298 -206196.5182 17815.4971 0.0000 0.0000 34128.2925 -149344.7071 298.0509 -183472.9996 -149253.0733 298.7226 -2.1666 25.6826 558004.6380 -8.8207 -8.7572 PRESSURE: 86800 -6.37175 1.42799 81.9468 1.42696 279.999 40.4087 81.9466 40.408 3.85842 GPRESSURE: 86800 75.376 -38.5914 113.912 102.566 320.648 25.1329 33.8631 98.758 -29.1139 PRESSAVG: 86800 -13.7332 72.9931 29.7443 72.9931 15.6591 50.3647 29.7444 50.3646 -5.37959 GPRESSAVG: 86800 -13.1958 73.1046 30.9162 73.5436 15.6702 50.7194 33.0099 50.0083 -6.45864 TIMING: 86800 CPU: 250.933, 0.00291004/step Wall: 250.933, 0.00291004/step, 3.97156 hours remaining, 200.367188 MB of memory in use. ENERGY: 86800 765.7124 2083.6374 1927.4433 112.2483 -206221.0992 17858.9971 0.0000 0.0000 34342.9857 -149130.0750 299.9258 -183473.0607 -149036.6507 298.8415 92.4951 122.3032 556537.3725 -1.1512 -1.3281 PRESSURE: 87000 -9.63385 148.91 -76.0854 148.909 -67.1145 147.754 -76.0836 147.754 -12.8872 GPRESSURE: 87000 27.6961 137.472 -91.2411 236.207 -34.4172 179.54 -50.967 129.73 19.6218 PRESSAVG: 87000 25.2263 27.4881 -6.9053 27.4881 -15.5999 -14.1218 -6.90527 -14.1218 -7.63276 GPRESSAVG: 87000 25.6207 26.2068 -5.42609 28.876 -16.0642 -12.9885 -10.8289 -14.0274 -7.72105 TIMING: 87000 CPU: 251.516, 0.00291319/step Wall: 251.516, 0.00291319/step, 3.9757 hours remaining, 200.367188 MB of memory in use. ENERGY: 87000 759.2408 2097.7679 1943.9760 130.5131 -205870.5076 17710.4630 0.0000 0.0000 34157.0141 -149071.5327 298.3017 -183228.5469 -148978.0491 299.5956 -29.8785 4.3002 557918.5203 0.6645 0.6118 PRESSURE: 87200 41.7847 58.7302 56.5778 58.7293 37.6725 73.2162 56.5769 73.2164 -31.3344 GPRESSURE: 87200 125.084 78.4732 59.3517 70.193 59.7366 99.3895 77.4101 101.65 -29.3181 PRESSAVG: 87200 52.3095 103.086 -18.203 103.086 17.5397 -8.9791 -18.203 -8.97914 -50.0061 GPRESSAVG: 87200 51.3825 105.196 -18.748 99.4934 17.0674 -11.0286 -16.4245 -7.95959 -48.9814 TIMING: 87200 CPU: 252.098, 0.00291279/step Wall: 252.098, 0.00291279/step, 3.97499 hours remaining, 200.367188 MB of memory in use. ENERGY: 87200 715.5504 2101.9948 1927.6999 115.5257 -206112.0016 17824.2063 0.0000 0.0000 34438.0367 -148988.9878 300.7559 -183427.0245 -148893.9844 299.8238 16.0409 51.8342 557854.9857 6.6144 6.4895 PRESSURE: 87400 217.974 129.88 46.224 129.88 -25.728 -16.9458 46.2217 -16.9461 218.469 GPRESSURE: 87400 233.702 129.745 104.078 169.596 -29.9702 -45.7294 12.6173 0.858814 303.861 PRESSAVG: 87400 8.5448 46.3106 21.1194 46.3105 0.168711 -17.986 21.1194 -17.9861 -5.35929 GPRESSAVG: 87400 8.85483 45.6008 19.483 48.5662 0.29093 -18.4436 18.758 -18.9281 -6.34072 TIMING: 87400 CPU: 252.68, 0.00290841/step Wall: 252.68, 0.00290841/step, 3.96884 hours remaining, 200.367188 MB of memory in use. ENERGY: 87400 705.0315 2163.9145 1966.4475 115.5909 -206080.8524 17904.8716 0.0000 0.0000 34135.5553 -149089.4410 298.1143 -183224.9963 -149000.1911 299.5946 136.9050 169.1977 558112.7368 1.1181 0.9350 PRESSURE: 87600 135.979 -18.4584 21.267 -18.4594 180.775 -105.638 21.2675 -105.638 54.3923 GPRESSURE: 87600 117.34 15.7684 -35.7178 -12.4989 237.358 -1.65188 44.941 -139.926 115.916 PRESSAVG: 87600 -2.63177 -10.4738 -12.4759 -10.4737 25.8294 3.12967 -12.4758 3.1298 4.40537 GPRESSAVG: 87600 -2.46312 -10.5531 -13.6252 -9.7022 25.538 4.99253 -9.91059 2.28268 4.64927 TIMING: 87600 CPU: 253.26, 0.00290092/step Wall: 253.26, 0.00290092/step, 3.95847 hours remaining, 200.367188 MB of memory in use. ENERGY: 87600 726.6287 2107.8662 1949.2762 108.8698 -206250.9708 17927.1668 0.0000 0.0000 34349.2977 -149081.8655 299.9810 -183431.1632 -148996.8922 299.7031 123.7155 156.8712 557673.0707 9.2010 9.2414 PRESSURE: 87800 96.3441 -12.2405 138.127 -12.239 155.556 217.899 138.127 217.899 -121.453 GPRESSURE: 87800 110.823 32.2103 119.526 -34.6674 193.422 200.693 179.698 192.735 -75.5526 PRESSAVG: 87800 92.3207 71.3794 38.0246 71.3794 -22.2063 -0.213984 38.0245 -0.213991 -38.4499 GPRESSAVG: 87800 90.8205 70.9785 37.7201 69.8069 -21.565 -0.101878 38.3354 0.954181 -37.9263 TIMING: 87800 CPU: 253.842, 0.00291146/step Wall: 253.842, 0.00291146/step, 3.97269 hours remaining, 200.367188 MB of memory in use. ENERGY: 87800 764.9897 2109.5194 1939.4815 111.1853 -206100.0774 17957.9405 0.0000 0.0000 34345.7834 -148871.1776 299.9503 -183216.9610 -148777.7506 300.1222 43.4821 76.2310 557729.6862 10.5548 10.4431 PRESSURE: 88000 74.3653 56.1631 145.271 56.164 146.842 -135.065 145.271 -135.065 -14.3493 GPRESSURE: 88000 118.108 -8.75733 181.573 63.736 163.108 -143.627 85.1852 -123.75 27.6387 PRESSAVG: 88000 15.3518 7.29295 45.3914 7.29294 33.8825 10.6722 45.3914 10.6721 -36.0784 GPRESSAVG: 88000 16.2664 6.52612 45.8931 8.50108 33.1459 9.30834 43.4617 11.5979 -36.2173 TIMING: 88000 CPU: 254.422, 0.00289818/step Wall: 254.422, 0.00289818/step, 3.95441 hours remaining, 200.367188 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: 88000 747.4902 2099.1404 1973.2077 108.8292 -206024.3471 17636.6094 0.0000 0.0000 34502.8848 -148956.1855 301.3223 -183459.0703 -148864.9500 300.1499 68.9528 102.9514 555504.9020 4.3853 4.3983 PRESSURE: 88200 90.3533 -5.11633 0.140242 -5.11653 -36.9571 -45.4337 0.138879 -45.4344 -71.14 GPRESSURE: 88200 113.494 18.7299 -20.4934 -0.0888522 56.2632 -115.962 7.52197 49.3686 -86.3589 PRESSAVG: 88200 70.0125 9.93309 57.5779 9.93306 10.6683 1.76104 57.5779 1.761 -52.751 GPRESSAVG: 88200 69.956 11.8615 56.9932 7.00271 10.5965 1.4089 58.2309 2.12514 -52.9894 TIMING: 88200 CPU: 255.001, 0.00289402/step Wall: 255.001, 0.00289402/step, 3.94857 hours remaining, 200.367188 MB of memory in use. ENERGY: 88200 754.5692 2071.2294 1925.7459 108.0359 -205781.9006 17738.0004 0.0000 0.0000 34345.2009 -148839.1189 299.9452 -183184.3197 -148748.0005 300.3916 -5.9146 27.7996 557189.1346 9.3099 9.1877 LDB: ============= START OF LOAD BALANCING ============== 258.386 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 258.386 LDB: =============== DONE WITH MIGRATION ================ 258.388 LDB: ============= START OF LOAD BALANCING ============== 258.679 LDB: Largest compute 4820 load 0.023662 is 20.1% of average load 0.117847 LDB: Average compute 0.001709 is 1.5% of average load 0.117847 LDB: TIME 258.682 LOAD: AVG 0.117847 MAX 0.17935 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.82 MB LDB: TIME 258.682 LOAD: AVG 0.117847 MAX 0.17935 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.824 MB LDB: TIME 258.682 LOAD: AVG 0.117847 MAX 0.17935 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 258.684 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 258.688 PRESSURE: 88400 -81.9465 -118.322 -193.653 -118.321 171.615 -147.593 -193.654 -147.595 281.899 GPRESSURE: 88400 -33.3053 -99.7953 -210.372 -167.648 178.731 -133.633 -142.763 -112.735 314.96 PRESSAVG: 88400 1.06775 -6.5038 -5.81366 -6.5037 74.183 27.627 -5.81367 27.627 -38.9193 GPRESSAVG: 88400 0.940531 -7.3626 -5.47618 -4.86808 74.9821 27.74 -4.04758 26.8243 -39.497 TIMING: 88400 CPU: 255.592, 0.00295877/step Wall: 255.592, 0.00295877/step, 4.03674 hours remaining, 199.996094 MB of memory in use. ENERGY: 88400 743.3453 2064.5071 1973.6067 125.0710 -205951.3871 17733.5194 0.0000 0.0000 34299.2809 -149012.0567 299.5442 -183311.3376 -148920.0981 300.4690 123.8558 153.4616 554832.2156 12.1105 12.1419 PRESSURE: 88600 -2.44498 11.8426 58.0052 11.8425 -163.871 -113.168 58.0057 -113.168 -141.031 GPRESSURE: 88600 20.1182 45.9463 -31.8148 1.15331 -126.937 -118.094 87.4774 -78.0507 -96.9381 PRESSAVG: 88600 25.7052 8.44992 -37.2976 8.44985 1.84817 -54.773 -37.2976 -54.7731 -30.8542 GPRESSAVG: 88600 25.583 7.48459 -35.9281 8.44569 -0.488377 -52.485 -38.178 -56.6439 -28.7485 TIMING: 88600 CPU: 256.17, 0.00288749/step Wall: 256.17, 0.00288749/step, 3.93934 hours remaining, 200.199219 MB of memory in use. ENERGY: 88600 743.8283 2129.7139 1941.0482 140.1065 -205880.9699 17638.5881 0.0000 0.0000 34193.7551 -149093.9297 298.6226 -183287.6849 -148993.0246 299.5441 -102.4491 -67.9191 557097.5480 -1.1003 -1.2179 PRESSURE: 88800 -59.4843 131.687 217.427 131.685 -102.33 69.1382 217.426 69.1376 -69.085 GPRESSURE: 88800 -23.0377 49.2945 215.727 129.328 -79.7362 130.154 218.15 -17.5867 -36.5101 PRESSAVG: 88800 14.8643 29.5994 14.8379 29.5994 59.2646 5.34486 14.8378 5.34467 -28.7106 GPRESSAVG: 88800 15.2537 30.9952 15.5373 29.6094 61.3712 5.24033 12.5727 6.75242 -31.1383 TIMING: 88800 CPU: 256.748, 0.00289183/step Wall: 256.748, 0.00289183/step, 3.9451 hours remaining, 200.199219 MB of memory in use. ENERGY: 88800 733.5439 2056.1153 1951.7157 123.5506 -206053.3943 17748.5648 0.0000 0.0000 34173.1779 -149266.7261 298.4429 -183439.9039 -149169.4553 299.2507 -76.9663 -46.4280 557039.7263 15.1394 15.1622 PRESSURE: 89000 168.531 -57.5145 84.3117 -57.5142 90.7758 24.4307 84.3118 24.4291 -4.20716 GPRESSURE: 89000 153.852 -85.4078 0.745417 -103.622 176.047 -67.3098 127.768 34.1313 34.8554 PRESSAVG: 89000 7.85343 -34.1801 13.0582 -34.1802 13.3889 16.5358 13.0582 16.5357 4.8154 GPRESSAVG: 89000 7.30559 -35.6956 10.9998 -31.97 13.4014 13.9853 14.3211 16.9838 4.83696 TIMING: 89000 CPU: 257.322, 0.00286757/step Wall: 257.322, 0.00286757/step, 3.91184 hours remaining, 200.199219 MB of memory in use. ENERGY: 89000 727.1228 2088.9817 1946.3722 116.2645 -206146.2861 17827.5331 0.0000 0.0000 34338.5470 -149101.4648 299.8871 -183440.0118 -149004.6553 299.2202 85.0333 121.5846 555880.7483 8.6859 8.5146 PRESSURE: 89200 -56.3133 -33.0763 29.4038 -33.0775 72.5077 -121.622 29.4033 -121.623 63.23 GPRESSURE: 89200 -14.71 79.2271 108.043 -15.9416 99.2648 -179.273 -24.7553 -74.9784 90.0576 PRESSAVG: 89200 -14.4287 -22.6676 -31.9187 -22.6675 91.4766 -5.66941 -31.9187 -5.66937 -19.8087 GPRESSAVG: 89200 -14.4075 -22.3542 -30.81 -22.3083 91.549 -4.78124 -31.968 -6.93213 -19.916 TIMING: 89200 CPU: 257.898, 0.00288241/step Wall: 257.898, 0.00288241/step, 3.93193 hours remaining, 200.457031 MB of memory in use. ENERGY: 89200 749.0154 2093.8223 1940.4220 117.1777 -205954.5675 17608.6986 0.0000 0.0000 34423.9800 -149021.4516 300.6332 -183445.4316 -148926.2874 300.2318 26.4748 58.2041 556287.2151 19.0797 19.0752 PRESSURE: 89400 216.794 -178.737 -69.7393 -178.738 33.8498 -33.7128 -69.7392 -33.7126 -106.002 GPRESSURE: 89400 191.597 -213.515 -3.39342 -177.675 85.6233 -51.6961 -81.8297 -21.3924 -40.2334 PRESSAVG: 89400 60.6204 -64.9763 18.0154 -64.9763 14.2415 28.8983 18.0155 28.8983 -100.487 GPRESSAVG: 89400 60.8409 -63.0472 15.9384 -65.7832 13.6458 28.4597 19.9053 29.9674 -99.8244 TIMING: 89400 CPU: 258.473, 0.00287485/step Wall: 258.473, 0.00287485/step, 3.92145 hours remaining, 200.457031 MB of memory in use. ENERGY: 89400 750.0654 2124.5883 1912.4595 107.3237 -206147.5696 17825.6528 0.0000 0.0000 34313.3363 -149114.1435 299.6669 -183427.4798 -149020.3084 299.9183 48.2140 78.9955 556264.8195 -8.5417 -8.4459 PRESSURE: 89600 -160.621 51.1413 -98.2077 51.142 -77.059 17.5764 -98.2088 17.5761 -132.11 GPRESSURE: 89600 -101.217 -13.774 -78.2637 110.989 -131.62 79.6761 -130.925 17.0919 -45.9149 PRESSAVG: 89600 -18.08 -5.42812 23.612 -5.42813 30.5871 44.1983 23.6119 44.1983 -11.4218 GPRESSAVG: 89600 -18.0289 -6.4147 26.5002 -4.15489 30.8309 44.3189 20.8505 43.7886 -11.5548 TIMING: 89600 CPU: 259.048, 0.00287558/step Wall: 259.048, 0.00287558/step, 3.92229 hours remaining, 200.457031 MB of memory in use. ENERGY: 89600 740.6670 2082.4970 1952.3305 116.1487 -206065.0765 17634.4261 0.0000 0.0000 34358.1022 -149180.9049 300.0579 -183539.0071 -149081.4380 299.7006 -123.2631 -92.9172 556979.0929 0.3618 0.4157 PRESSURE: 89800 -75.7451 -65.5538 -59.2028 -65.5543 -278.709 107.623 -59.2019 107.623 -205.879 GPRESSURE: 89800 -53.1305 16.0392 -25.1694 -103.571 -262.026 174.248 -34.2248 23.8447 -152.141 PRESSAVG: 89800 15.042 70.759 -12.7109 70.759 -33.5798 49.6278 -12.7109 49.6278 -2.15613 GPRESSAVG: 89800 13.8608 71.1953 -12.7258 68.4863 -32.5771 51.6185 -13.0393 49.4062 -1.52928 TIMING: 89800 CPU: 259.628, 0.00290006/step Wall: 259.628, 0.00290006/step, 3.95552 hours remaining, 200.457031 MB of memory in use. ENERGY: 89800 747.6645 2078.9764 1935.0321 116.8472 -205804.3291 17549.2915 0.0000 0.0000 34355.2068 -149021.3105 300.0326 -183376.5173 -148924.0145 300.1213 -186.7776 -155.7660 558749.9735 -6.8980 -6.7485 PRESSURE: 90000 -189.203 34.55 -23.6124 34.55 -45.1396 68.1598 -23.613 68.1597 -0.656863 GPRESSURE: 90000 -23.9432 35.3485 -76.4081 57.8797 -68.4266 43.0383 84.9626 60.1493 -39.6485 PRESSAVG: 90000 47.2406 -41.1133 17.5055 -41.1134 -41.1264 41.8649 17.5055 41.865 11.3104 GPRESSAVG: 90000 48.1926 -41.4373 17.9276 -40.9551 -41.9032 41.9263 17.686 39.5035 10.985 TIMING: 90000 CPU: 260.205, 0.00288181/step Wall: 260.205, 0.00288181/step, 3.93046 hours remaining, 200.457031 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: 90000 769.2259 2116.2964 1923.0172 109.0115 -205638.0303 17562.9632 0.0000 0.0000 34056.4593 -149101.0567 297.4235 -183157.5160 -149013.6459 299.2623 -78.3333 -44.0061 557896.3341 5.8082 5.7581 PRESSURE: 90200 102.781 -19.6915 145.984 -19.6904 182.212 86.9588 145.984 86.9572 -114.025 GPRESSURE: 90200 79.0622 63.8574 183.785 24.3479 195.311 60.8382 113.23 91.5805 -6.57111 PRESSAVG: 90200 -13.5917 -13.6008 69.1324 -13.6008 -18.8653 12.0214 69.1323 12.0214 34.3448 GPRESSAVG: 90200 -13.3327 -14.1564 67.4235 -12.3154 -18.8098 10.6988 69.5286 15.4488 33.9362 TIMING: 90200 CPU: 260.781, 0.002881/step Wall: 260.781, 0.002881/step, 3.9292 hours remaining, 200.457031 MB of memory in use. ENERGY: 90200 717.3915 2025.7197 1970.6758 113.1875 -206135.4271 17795.8870 0.0000 0.0000 34268.4346 -149244.1310 299.2748 -183512.5656 -149146.9691 299.2853 56.9894 89.2673 557324.3999 0.6293 0.5979 PRESSURE: 90400 -200.416 92.546 -96.0436 92.546 -48.6116 20.0504 -96.0429 20.0509 -100.051 GPRESSURE: 90400 -137.122 80.7255 -106.813 113.078 -1.37666 -48.941 -147.289 -26.3547 -108.45 PRESSAVG: 90400 46.0252 -18.0874 11.5782 -18.0873 -10.778 -34.1195 11.5782 -34.1195 -12.0309 GPRESSAVG: 90400 45.3107 -17.7868 11.386 -19.269 -11.3154 -33.8777 12.0116 -35.3705 -11.1321 TIMING: 90400 CPU: 261.351, 0.00285171/step Wall: 261.351, 0.00285171/step, 3.8891 hours remaining, 200.457031 MB of memory in use. ENERGY: 90400 740.9891 2052.2025 1952.2890 113.4119 -206150.0730 17824.4320 0.0000 0.0000 34172.1355 -149294.6131 298.4338 -183466.7486 -149203.4726 299.5648 -116.3597 -82.3162 558083.5421 7.7388 7.6210 PRESSURE: 90600 189.387 3.57247 -124.375 3.57269 -98.4644 -89.3327 -124.375 -89.3328 -137.002 GPRESSURE: 90600 203.127 -63.0609 -100.901 36.8326 -25.265 -116.483 -134.077 -62.5052 -132.251 PRESSAVG: 90600 2.91762 -12.8603 -16.176 -12.8601 5.30766 -28.418 -16.1759 -28.418 31.1131 GPRESSAVG: 90600 3.35949 -14.2701 -16.3492 -11.4499 5.1115 -27.9358 -16.1762 -29.5504 30.7373 TIMING: 90600 CPU: 261.931, 0.00289954/step Wall: 261.931, 0.00289954/step, 3.95417 hours remaining, 200.457031 MB of memory in use. ENERGY: 90600 721.2136 2041.0183 1953.4679 110.6919 -206208.8934 17725.5158 0.0000 0.0000 34406.0285 -149250.9575 300.4764 -183656.9859 -149152.7607 299.0655 -15.3599 15.2035 558364.9245 13.1128 13.0694 PRESSURE: 90800 -232.428 65.9457 -96.9208 65.9463 -6.1862 -97.8898 -96.9209 -97.8883 115.825 GPRESSURE: 90800 -183.931 46.3491 -103.779 37.641 34.4713 -35.1895 -72.8344 -133.526 116.999 PRESSAVG: 90800 -1.64144 -21.7559 27.661 -21.7558 -45.7085 8.8351 27.661 8.83516 1.28775 GPRESSAVG: 90800 -1.23443 -20.7036 27.5547 -21.7482 -46.2324 9.05206 28.6959 9.79365 1.32791 TIMING: 90800 CPU: 262.508, 0.00288441/step Wall: 262.508, 0.00288441/step, 3.93337 hours remaining, 200.457031 MB of memory in use. ENERGY: 90800 751.3670 2092.3440 1942.9845 106.3538 -206200.7136 17742.7293 0.0000 0.0000 34220.8454 -149344.0897 298.8592 -183564.9351 -149247.4153 298.9730 -40.9296 -10.8205 557981.1779 -15.3541 -15.3796 PRESSURE: 91000 -83.398 22.6793 -84.1725 22.679 -288.223 -23.7587 -84.1718 -23.7589 -114.886 GPRESSURE: 91000 -0.00717834 13.1442 -67.9684 -14.5808 -285.733 -14.8687 -105.36 -71.6195 -107.223 PRESSAVG: 91000 -47.2757 -30.0215 1.73196 -30.0214 9.47977 -85.739 1.73189 -85.739 32.1317 GPRESSAVG: 91000 -47.9198 -30.1062 3.37564 -30.5571 8.77039 -87.8572 1.14299 -85.6964 32.9942 TIMING: 91000 CPU: 263.084, 0.00287807/step Wall: 263.084, 0.00287807/step, 3.92456 hours remaining, 200.457031 MB of memory in use. ENERGY: 91000 765.4411 2070.3451 1925.3240 100.6581 -205875.8831 17582.0117 0.0000 0.0000 34127.4429 -149304.6602 298.0434 -183432.1031 -149203.9934 298.0377 -162.1692 -130.9875 557339.0959 -1.8881 -2.0517 PRESSURE: 91200 -67.1589 73.8308 48.6429 73.8305 -80.1084 -82.3074 48.6431 -82.3086 267.785 GPRESSURE: 91200 -69.2914 100.317 29.051 23.1127 5.99902 -9.49539 86.0788 -49.9952 275.677 PRESSAVG: 91200 -15.3359 -4.00734 -29.7163 -4.00744 -16.458 -37.3858 -29.7163 -37.3858 55.4944 GPRESSAVG: 91200 -14.8553 -3.92111 -31.8723 -4.46847 -16.1418 -36.1257 -29.638 -35.7229 54.4853 TIMING: 91200 CPU: 263.661, 0.00288717/step Wall: 263.661, 0.00288717/step, 3.93682 hours remaining, 200.457031 MB of memory in use. ENERGY: 91200 739.1756 2102.9795 1947.6248 111.9280 -206160.3360 17918.0340 0.0000 0.0000 34159.4403 -149181.1537 298.3229 -183340.5941 -149079.6608 299.3798 40.1726 70.7948 557217.4851 7.9002 7.8294 PRESSURE: 91400 163.273 54.2888 118.123 54.2895 157.959 -71.3839 118.123 -71.3824 -62.8566 GPRESSURE: 91400 172.18 -15.5507 106.994 89.6542 118.684 -75.0887 175.59 -9.23402 48.1868 PRESSAVG: 91400 13.2961 -28.4182 -43.5015 -28.4182 -60.1629 -40.142 -43.5014 -40.1418 25.2651 GPRESSAVG: 91400 11.3318 -28.2856 -41.3659 -27.5092 -60.4993 -39.6482 -42.5699 -43.1824 27.4708 TIMING: 91400 CPU: 264.24, 0.00289501/step Wall: 264.24, 0.00289501/step, 3.94735 hours remaining, 200.457031 MB of memory in use. ENERGY: 91400 723.3807 2179.1655 1933.2601 107.0802 -206251.5665 17931.2567 0.0000 0.0000 34398.9585 -148978.4649 300.4147 -183377.4234 -148891.3121 299.5798 86.1250 113.0168 557170.5502 -7.2006 -7.2322 PRESSURE: 91600 -2.54571 68.2897 79.8394 68.2911 -294.646 -55.8164 79.8404 -55.8165 -112.111 GPRESSURE: 91600 2.13502 107.326 -1.80459 46.2705 -241.974 -77.0946 142.538 -54.6917 -83.7297 PRESSAVG: 91600 -18.7531 36.0668 0.120798 36.0669 5.69939 -15.0225 0.120725 -15.0224 23.5202 GPRESSAVG: 91600 -18.5007 38.0712 -1.11987 33.1848 7.26233 -15.3541 0.262363 -13.7762 21.442 TIMING: 91600 CPU: 264.818, 0.00288833/step Wall: 264.818, 0.00288833/step, 3.93807 hours remaining, 200.457031 MB of memory in use. ENERGY: 91600 773.5582 2102.5389 1945.7778 130.3052 -206083.2002 17699.1211 0.0000 0.0000 34296.7025 -149135.1965 299.5216 -183431.8990 -149035.9135 299.5207 -136.4342 -107.8564 556968.9253 3.4888 3.4012 PRESSURE: 91800 16.2263 -168.217 84.592 -168.217 -401.143 37.3121 84.5917 37.3123 -201.681 GPRESSURE: 91800 74.0987 -180.775 61.4075 -173.704 -445.015 27.4674 56.7822 41.3503 -130.682 PRESSAVG: 91800 -26.5868 22.714 13.5381 22.714 25.9289 -30.5802 13.5381 -30.5801 10.1382 GPRESSAVG: 91800 -25.1173 20.4378 14.826 24.791 24.5855 -30.4837 12.8889 -28.9451 10.2793 TIMING: 91800 CPU: 265.393, 0.00287637/step Wall: 265.393, 0.00287637/step, 3.92161 hours remaining, 200.457031 MB of memory in use. ENERGY: 91800 726.9148 2132.2362 1936.6880 121.8253 -206037.0531 17671.7692 0.0000 0.0000 34436.8072 -149010.8124 300.7452 -183447.6196 -148917.0091 299.8811 -195.5327 -167.1992 557919.9617 3.1601 3.2492 PRESSURE: 92000 195.983 -154.425 11.8125 -154.426 -88.941 -54.5495 11.812 -54.5518 -164.137 GPRESSURE: 92000 190.649 -126.992 -11.0302 -213.853 -50.5284 -79.0377 -29.6132 -70.1221 -99.4382 PRESSAVG: 92000 -12.3061 -19.0192 30.639 -19.0192 1.44471 13.9282 30.639 13.9281 11.3308 GPRESSAVG: 92000 -12.948 -17.793 29.4806 -20.6648 1.956 13.8102 30.9297 11.7825 11.8926 TIMING: 92000 CPU: 265.97, 0.00288663/step Wall: 265.97, 0.00288663/step, 3.93544 hours remaining, 200.468750 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: 92000 724.0797 2088.7899 1923.8955 109.8975 -205750.8667 17650.5965 0.0000 0.0000 34191.9424 -149061.6653 298.6067 -183253.6077 -148967.6836 299.9500 -19.0318 13.5607 557538.5839 0.1565 0.3002 PRESSURE: 92200 40.3007 -138.699 133.824 -138.699 360.064 31.4438 133.826 31.4438 1.82902 GPRESSURE: 92200 30.5924 -137.171 143.576 -129.729 422.926 80.5021 94.3204 21.9443 38.3055 PRESSAVG: 92200 6.92613 -49.5148 7.20164 -49.5148 -57.2958 24.0479 7.20168 24.0478 -17.0926 GPRESSAVG: 92200 7.8513 -49.0181 7.86285 -50.5805 -56.5256 23.3154 6.85418 26.0814 -18.2976 TIMING: 92200 CPU: 266.551, 0.00290474/step Wall: 266.551, 0.00290474/step, 3.95997 hours remaining, 200.468750 MB of memory in use. ENERGY: 92200 708.6265 2100.7253 1934.5997 104.3891 -205917.7955 17825.1563 0.0000 0.0000 34328.1555 -148916.1431 299.7963 -183244.2986 -148822.0169 299.4912 134.0644 163.9413 557140.6134 -22.4874 -22.3239 LDB: ============= START OF LOAD BALANCING ============== 269.936 LDB: ============== END OF LOAD BALANCING =============== 269.936 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 269.938 LDB: ============= START OF LOAD BALANCING ============== 270.225 LDB: Largest compute 4820 load 0.023458 is 19.9% of average load 0.117861 LDB: Average compute 0.001704 is 1.4% of average load 0.117861 LDB: TIME 270.227 LOAD: AVG 0.117861 MAX 0.17989 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.742 MB LDB: TIME 270.227 LOAD: AVG 0.117861 MAX 0.17989 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.742 MB LDB: TIME 270.228 LOAD: AVG 0.117861 MAX 0.17989 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.742 MB LDB: ============== END OF LOAD BALANCING =============== 270.229 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 270.233 PRESSURE: 92400 156.945 -127.699 113.412 -127.699 -35.1113 8.82245 113.411 8.82243 -84.2055 GPRESSURE: 92400 187.834 -159.515 142.844 -87.9515 -37.4996 99.229 102.174 -68.6212 -15.3668 PRESSAVG: 92400 -6.02686 35.625 13.1949 35.625 21.8811 54.936 13.195 54.9361 -10.6492 GPRESSAVG: 92400 -5.44114 32.9849 13.398 37.991 20.4042 54.5882 14.5024 52.9411 -9.76636 TIMING: 92400 CPU: 267.138, 0.0029315/step Wall: 267.138, 0.0029315/step, 3.99628 hours remaining, 200.765625 MB of memory in use. ENERGY: 92400 755.3390 2052.3826 1947.5335 122.1075 -206101.8793 17841.1043 0.0000 0.0000 34463.5360 -148919.8764 300.9786 -183383.4124 -148817.7643 300.6141 12.5428 44.9893 557473.7717 1.7350 1.7322 PRESSURE: 92600 -50.9631 -146.579 -4.37291 -146.58 -14.7252 33.36 -4.37114 33.3583 189.574 GPRESSURE: 92600 -6.80577 -66.5918 -8.79275 -140.682 29.6513 77.7342 -56.6592 7.21013 192.039 PRESSAVG: 92600 -49.2526 4.15599 21.6552 4.15598 -30.4157 31.8786 21.6552 31.8786 118.12 GPRESSAVG: 92600 -50.311 5.97494 22.9485 5.10605 -28.6106 31.7975 17.7606 32.6193 117.508 TIMING: 92600 CPU: 267.715, 0.00288522/step Wall: 267.715, 0.00288522/step, 3.93303 hours remaining, 200.835938 MB of memory in use. ENERGY: 92600 746.9769 2116.5484 1961.2121 117.9317 -205988.4839 17848.3840 0.0000 0.0000 34279.0912 -148918.3397 299.3678 -183197.4309 -148823.3442 299.8986 41.2953 71.6282 557570.1687 12.8173 12.8620 PRESSURE: 92800 6.3783 -243.234 125.908 -243.235 -186.667 -130.22 125.909 -130.221 -223.294 GPRESSURE: 92800 76.0213 -197.703 40.7762 -304.278 -175.956 -121.678 166.135 -128.116 -208.246 PRESSAVG: 92800 -52.7659 -57.8466 35.0999 -57.8466 44.9629 20.1332 35.0999 20.1332 0.448826 GPRESSAVG: 92800 -51.3804 -58.3616 34.4178 -60.7664 43.5369 19.3716 37.5879 20.5577 0.329942 TIMING: 92800 CPU: 268.29, 0.0028765/step Wall: 268.29, 0.0028765/step, 3.92098 hours remaining, 200.835938 MB of memory in use. ENERGY: 92800 754.8199 2083.6476 1971.0103 112.5333 -205828.2087 17595.9341 0.0000 0.0000 34272.1775 -149038.0859 299.3075 -183310.2635 -148943.1260 299.8986 -134.5274 -102.7266 558574.1647 -2.4514 -2.5045 PRESSURE: 93000 36.7012 -171.516 42.6065 -171.517 -51.0584 151.304 42.6059 151.305 155.105 GPRESSURE: 93000 56.3368 -252.45 55.8325 -124.831 -17.4728 117.629 65.3254 101.031 200.744 PRESSAVG: 93000 25.9884 -58.4406 -6.5885 -58.4406 46.3319 7.25553 -6.58846 7.25548 -23.1724 GPRESSAVG: 93000 24.542 -59.0819 -8.04904 -56.8701 47.3851 7.21842 -5.46249 7.36792 -22.8085 TIMING: 93000 CPU: 268.863, 0.00286274/step Wall: 268.863, 0.00286274/step, 3.90207 hours remaining, 200.835938 MB of memory in use. ENERGY: 93000 737.8752 2153.7908 1952.3823 105.6910 -206531.7228 18038.4557 0.0000 0.0000 34513.7542 -149029.7736 301.4172 -183543.5278 -148934.4572 300.2078 46.9160 79.8693 558449.2287 16.3826 16.3729 PRESSURE: 93200 -244.892 -6.30425 -16.0067 -6.30323 -71.1922 -65.2615 -16.0073 -65.2606 19.1351 GPRESSURE: 93200 -150.364 -26.0168 -65.1277 28.8091 -46.3 -31.7169 -78.2199 -65.1256 5.71216 PRESSAVG: 93200 -27.2326 -68.9896 -16.9686 -68.9896 -22.9915 -10.2773 -16.9686 -10.2774 14.9475 GPRESSAVG: 93200 -27.5574 -69.3519 -15.8414 -69.3841 -22.7286 -9.72753 -18.7944 -10.5999 14.7604 TIMING: 93200 CPU: 269.434, 0.00285459/step Wall: 269.434, 0.00285459/step, 3.89081 hours remaining, 200.835938 MB of memory in use. ENERGY: 93200 767.4293 2115.2409 1992.8538 106.8601 -205929.2566 17736.3669 0.0000 0.0000 34233.1553 -148977.3503 298.9667 -183210.5056 -148891.1832 300.1684 -98.9831 -63.6507 558938.6140 -11.7589 -11.8418 PRESSURE: 93400 -365.495 -11.4007 -29.4843 -11.3996 -116.142 -162.435 -29.4827 -162.433 -93.6012 GPRESSURE: 93400 -343.664 -43.9468 15.2107 -5.10385 -85.2245 -126.792 44.525 -149.556 -60.8303 PRESSAVG: 93400 -59.0221 4.7473 -22.3525 4.74735 30.3031 -2.6597 -22.3525 -2.65962 48.1511 GPRESSAVG: 93400 -59.0979 4.6381 -19.5154 5.5408 30.2714 -3.94357 -23.4026 -1.50966 48.0654 TIMING: 93400 CPU: 270.006, 0.0028648/step Wall: 270.006, 0.0028648/step, 3.90456 hours remaining, 200.835938 MB of memory in use. ENERGY: 93400 778.0510 2107.0028 1959.9979 113.9421 -205939.6019 17557.1974 0.0000 0.0000 34479.9559 -148943.4548 301.1220 -183423.4106 -148842.6415 299.6134 -191.7460 -163.2398 558712.9620 6.4774 6.4130 PRESSURE: 93600 -275.06 -13.9577 -70.0474 -13.9587 0.218183 -30.5981 -70.0477 -30.5976 -257.159 GPRESSURE: 93600 -220.004 35.1158 27.5719 -36.7104 12.5122 -3.48665 -93.5186 -23.0053 -227.466 PRESSAVG: 93600 -73.4131 30.0278 30.6159 30.0278 62.7783 -26.4504 30.6158 -26.4505 37.6539 GPRESSAVG: 93600 -73.184 31.7902 27.4281 30.4201 62.3409 -26.4277 32.0877 -27.6932 37.8439 TIMING: 93600 CPU: 270.584, 0.00288713/step Wall: 270.584, 0.00288713/step, 3.93484 hours remaining, 200.835938 MB of memory in use. ENERGY: 93600 768.6384 2116.5202 1985.5085 116.0293 -205706.0361 17511.9803 0.0000 0.0000 34252.3482 -148955.0112 299.1343 -183207.3594 -148855.3788 300.2687 -177.3335 -144.9857 557874.0024 9.0064 9.0003 PRESSURE: 93800 -471.819 30.1525 98.0893 30.1529 -153.069 -104.605 98.0909 -104.604 85.3882 GPRESSURE: 93800 -411.07 56.0324 74.137 -17.0518 -116.018 -98.7401 87.7933 -113.147 92.0333 PRESSAVG: 93800 35.1739 1.02911 31.0783 1.02913 -18.3063 26.4447 31.0783 26.4448 18.3339 GPRESSAVG: 93800 34.4879 1.47153 31.3763 -0.81528 -18.1156 27.0338 30.1841 26.2272 19.15 TIMING: 93800 CPU: 271.159, 0.00287343/step Wall: 271.159, 0.00287343/step, 3.91601 hours remaining, 200.835938 MB of memory in use. ENERGY: 93800 702.3740 2084.0819 1971.4799 120.9612 -205886.7711 17665.3274 0.0000 0.0000 34368.9376 -148973.6092 300.1525 -183342.5467 -148876.4394 300.1605 -179.8333 -145.0183 558362.4246 11.7338 11.8408 PRESSURE: 94000 -144.404 -172.979 -118.59 -172.979 32.8956 3.96777 -118.589 3.96678 -113.734 GPRESSURE: 94000 -159.631 -174.227 -85.3076 -232.111 104.549 43.7722 -88.7011 -56.3397 -68.3307 PRESSAVG: 94000 20.4527 6.26354 -13.1678 6.26366 10.5573 -12.4127 -13.1678 -12.4128 -59.4152 GPRESSAVG: 94000 21.3447 4.5751 -12.9866 9.24461 11.2337 -13.1977 -11.7652 -11.6003 -60.6259 TIMING: 94000 CPU: 271.732, 0.00286559/step Wall: 271.732, 0.00286559/step, 3.90516 hours remaining, 200.835938 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: 94000 762.0656 2101.0184 1951.5161 96.7381 -205978.5828 17675.4169 0.0000 0.0000 34484.7377 -148907.0901 301.1638 -183391.8278 -148816.6111 299.9334 -75.0807 -41.1377 556472.4080 -9.4684 -9.3492 PRESSURE: 94200 77.4804 -28.9307 18.2881 -28.931 -221.031 -54.3448 18.2874 -54.3444 -78.1338 GPRESSURE: 94200 106.756 8.91761 -33.7286 12.9379 -148.596 -81.194 12.1445 5.46643 -93.3749 PRESSAVG: 94200 -8.3596 -51.777 -10.2287 -51.7769 57.6103 -38.0028 -10.2287 -38.0029 -25.6578 GPRESSAVG: 94200 -7.73678 -50.9801 -9.54568 -52.7539 55.7902 -36.3162 -12.6948 -38.4932 -24.9587 TIMING: 94200 CPU: 272.308, 0.00288058/step Wall: 272.308, 0.00288058/step, 3.92543 hours remaining, 200.835938 MB of memory in use. ENERGY: 94200 765.5086 2157.7668 1928.4380 112.9322 -206018.6105 17774.6971 0.0000 0.0000 34312.2822 -148966.9856 299.6577 -183279.2678 -148865.1547 300.4535 -73.8949 -45.0715 558586.8395 7.8643 7.6982 PRESSURE: 94400 -103.542 -69.1843 -34.1945 -69.1843 -4.02415 -244.723 -34.1929 -244.721 165.838 GPRESSURE: 94400 -84.2776 -130.992 26.1237 8.74948 40.5136 -275.643 -57.2118 -213.147 186.546 PRESSAVG: 94400 -30.584 11.0533 -36.5012 11.0532 48.9797 -89.1481 -36.5014 -89.148 40.0371 GPRESSAVG: 94400 -32.5571 10.5675 -37.4108 12.1044 50.2451 -90.023 -34.1075 -87.295 41.3632 TIMING: 94400 CPU: 272.887, 0.00289565/step Wall: 272.887, 0.00289565/step, 3.94581 hours remaining, 200.835938 MB of memory in use. ENERGY: 94400 745.2535 2077.4100 1919.6769 106.4852 -205928.6267 17852.9339 0.0000 0.0000 34191.0448 -149035.8224 298.5989 -183226.8672 -148931.8675 299.7033 19.4240 47.5940 558114.4641 19.4776 19.6837 PRESSURE: 94600 -268.14 94.9236 -60.1639 94.9229 -152.902 -37.8614 -60.1658 -37.8607 -389.386 GPRESSURE: 94600 -230.13 133.209 -7.21038 128.053 -108.882 -138.878 -8.96944 47.0392 -381.418 PRESSAVG: 94600 -90.8644 -4.62215 11.8703 -4.62213 64.2324 -33.8478 11.8704 -33.8477 24.3727 GPRESSAVG: 94600 -89.8387 -5.34231 13.7208 -6.6822 65.5665 -33.248 10.1726 -35.4264 22.4366 TIMING: 94600 CPU: 273.465, 0.00289037/step Wall: 273.465, 0.00289037/step, 3.93845 hours remaining, 200.835938 MB of memory in use. ENERGY: 94600 762.0812 2180.2768 1961.6126 112.9738 -205855.3544 17467.3376 0.0000 0.0000 34345.6103 -149025.4621 299.9488 -183371.0724 -148926.1789 300.1070 -270.1427 -240.1434 558912.2567 -0.7531 -0.6119 PRESSURE: 94800 -225.861 -43.1562 -141.404 -43.1569 76.1173 -52.0808 -141.404 -52.08 128.605 GPRESSURE: 94800 -152.729 -63.0305 -51.6902 14.3938 88.9891 -79.349 -150.837 -88.3414 148.037 PRESSAVG: 94800 -52.0659 -26.2927 -11.2062 -26.2925 26.3322 1.21109 -11.2063 1.21121 15.8335 GPRESSAVG: 94800 -50.9301 -26.7094 -12.5307 -24.8912 25.3887 -0.464433 -11.0966 2.23838 15.08 TIMING: 94800 CPU: 274.04, 0.00287597/step Wall: 274.04, 0.00287597/step, 3.91867 hours remaining, 200.835938 MB of memory in use. ENERGY: 94800 724.2217 2110.2043 1936.3012 107.5892 -205666.0831 17536.4933 0.0000 0.0000 34182.8966 -149068.3769 298.5277 -183251.2734 -148967.3668 299.4974 -7.0463 28.0991 557580.6809 -3.3001 -3.4871 PRESSURE: 95000 200.408 64.8032 214.659 64.8042 -310.766 -247.571 214.658 -247.57 -86.5419 GPRESSURE: 95000 213.289 29.3803 166.901 105.099 -275.01 -280.255 176.635 -222.457 -47.729 PRESSAVG: 95000 1.60664 30.9443 -23.9645 30.9443 11.3701 -79.7802 -23.9645 -79.7802 17.2822 GPRESSAVG: 95000 0.155961 31.9933 -24.8514 30.7822 10.7683 -77.8676 -23.3226 -81.132 18.9363 TIMING: 95000 CPU: 274.62, 0.00289737/step Wall: 274.62, 0.00289737/step, 3.94767 hours remaining, 200.835938 MB of memory in use. ENERGY: 95000 745.5206 2074.9681 1953.0637 107.7498 -206051.1014 17649.7938 0.0000 0.0000 34417.9371 -149102.0683 300.5804 -183520.0054 -149006.7189 300.0617 -65.6332 -36.4833 557871.6474 10.0863 9.9535 PRESSURE: 95200 -250.205 158.831 26.6845 158.833 -276.364 -99.135 26.6862 -99.1347 -344.004 GPRESSURE: 95200 -260.432 207.034 116.152 155.354 -211.938 -131.393 -114.455 -55.2217 -308.671 PRESSAVG: 95200 16.5172 38.4666 -52.2954 38.4666 -39.3961 -29.7152 -52.2954 -29.7152 -11.9815 GPRESSAVG: 95200 16.1391 39.1406 -49.7069 37.7944 -40.0557 -29.0627 -54.2494 -31.1451 -11.577 TIMING: 95200 CPU: 275.199, 0.00289806/step Wall: 275.199, 0.00289806/step, 3.94844 hours remaining, 200.835938 MB of memory in use. ENERGY: 95200 774.6852 2142.4064 1939.4381 112.4602 -205853.7963 17402.4667 0.0000 0.0000 34370.7892 -149111.5506 300.1687 -183482.3398 -149015.9308 299.6243 -290.1910 -260.3471 557932.0857 -11.6201 -11.8312 PRESSURE: 95400 -272.725 202.23 -70.1363 202.231 166.045 -90.482 -70.1347 -90.4801 190.923 GPRESSURE: 95400 -234.372 125.151 -128.523 157.752 148.447 -136.041 -57.2902 -147.025 268.57 PRESSAVG: 95400 8.73709 14.7277 -12.5387 14.7278 13.8116 -9.54877 -12.5387 -9.54868 26.4722 GPRESSAVG: 95400 8.88425 14.3907 -15.1253 14.3102 14.0573 -9.47612 -11.2998 -9.94638 26.3102 TIMING: 95400 CPU: 275.784, 0.00292352/step Wall: 275.784, 0.00292352/step, 3.98298 hours remaining, 200.835938 MB of memory in use. ENERGY: 95400 759.8876 2091.3124 1912.7492 112.9903 -206309.5024 17987.9226 0.0000 0.0000 34336.8767 -149107.7637 299.8725 -183444.6404 -149010.5710 299.3442 28.0810 60.8818 558074.1637 16.3403 16.4173 PRESSURE: 95600 132.469 -117.345 -147.204 -117.346 63.1183 -129.493 -147.206 -129.493 55.0742 GPRESSURE: 95600 156.389 -110.759 -198.086 -78.7664 103.002 -135.971 -122.442 -111.65 79.6033 PRESSAVG: 95600 -7.75409 -21.8195 -41.6148 -21.8195 1.00476 -24.8763 -41.6149 -24.8763 -10.3473 GPRESSAVG: 95600 -6.5813 -21.8138 -41.2136 -21.3244 0.766458 -27.2535 -43.2816 -22.3394 -12.0698 TIMING: 95600 CPU: 276.363, 0.00289592/step Wall: 276.363, 0.00289592/step, 3.9452 hours remaining, 200.835938 MB of memory in use. ENERGY: 95600 718.6108 2077.6017 1944.4741 114.2660 -206093.6952 17865.8247 0.0000 0.0000 34381.6422 -148991.2757 300.2634 -183372.9179 -148893.8357 299.8524 83.5538 112.9982 557629.8204 -5.6989 -5.9615 PRESSURE: 95800 31.4642 -2.07301 6.4903 -2.07116 206.338 -72.0427 6.48991 -72.0436 101.859 GPRESSURE: 95800 10.4743 32.3764 47.4668 21.6163 230.851 -52.3214 59.6083 -119.188 186.132 PRESSAVG: 95800 36.7695 -21.3009 13.854 -21.3008 8.91242 38.0759 13.854 38.0759 -36.7582 GPRESSAVG: 95800 36.8204 -20.5475 12.5381 -21.2329 9.43423 40.4583 16.951 35.5404 -37.0695 TIMING: 95800 CPU: 276.938, 0.00287225/step Wall: 276.938, 0.00287225/step, 3.9128 hours remaining, 200.835938 MB of memory in use. ENERGY: 95800 721.3647 2082.5867 1921.0098 104.8265 -206060.8512 17840.7781 0.0000 0.0000 34391.2517 -148999.0337 300.3474 -183390.2854 -148897.7941 300.0089 113.2203 142.4857 556788.6376 2.9746 3.0617 PRESSURE: 96000 88.6064 -110.416 -23.5258 -110.415 -175.049 138.615 -23.5263 138.616 222.989 GPRESSURE: 96000 76.4543 -43.6854 -12.6713 -103.503 -99.7159 139.442 -94.4723 150.846 257.202 PRESSAVG: 96000 31.631 -45.2009 -33.634 -45.2008 -31.8253 -45.3292 -33.6341 -45.3291 14.7679 GPRESSAVG: 96000 31.1941 -45.2149 -33.5107 -44.1312 -31.7085 -46.8391 -34.8955 -43.8393 15.7436 TIMING: 96000 CPU: 277.513, 0.0028757/step Wall: 277.513, 0.0028757/step, 3.91735 hours remaining, 200.835938 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: 96000 730.3257 2074.1634 1952.0609 117.2507 -205788.3574 17630.5382 0.0000 0.0000 34417.6063 -148866.4121 300.5775 -183284.0185 -148772.0721 299.8682 45.5157 77.9801 556561.4971 4.8579 5.0764 PRESSURE: 96200 180.433 49.827 -58.4475 49.826 -128.476 -81.1616 -58.447 -81.1602 -57.4174 GPRESSURE: 96200 206.688 37.9805 16.5695 17.0206 -49.9774 -62.837 -80.9581 -111.587 -85.6669 PRESSAVG: 96200 95.8494 55.819 -17.565 55.819 -78.5207 6.63601 -17.5649 6.63607 19.3763 GPRESSAVG: 96200 94.824 54.9751 -15.8873 53.9192 -79.4374 6.75821 -18.5141 7.02892 20.6802 TIMING: 96200 CPU: 278.09, 0.00288632/step Wall: 278.09, 0.00288632/step, 3.93165 hours remaining, 200.835938 MB of memory in use. ENERGY: 96200 726.3129 2108.4664 1946.4097 112.7786 -205667.9620 17475.1536 0.0000 0.0000 34328.9615 -148969.8792 299.8034 -183298.8407 -148872.7925 299.8103 -1.8202 23.6812 558236.7474 12.2350 12.0222 LDB: ============= START OF LOAD BALANCING ============== 281.474 LDB: ============== END OF LOAD BALANCING =============== 281.474 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 281.476 LDB: ============= START OF LOAD BALANCING ============== 281.762 LDB: Largest compute 4800 load 0.023544 is 20.0% of average load 0.117817 LDB: Average compute 0.001707 is 1.4% of average load 0.117817 LDB: TIME 281.765 LOAD: AVG 0.117817 MAX 0.178709 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.379 MB LDB: TIME 281.765 LOAD: AVG 0.117817 MAX 0.178709 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.387 MB LDB: TIME 281.765 LOAD: AVG 0.117817 MAX 0.178709 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 281.767 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 281.771 PRESSURE: 96400 -82.3079 -11.3793 -26.6682 -11.3782 -77.4871 25.2104 -26.6686 25.2096 258.41 GPRESSURE: 96400 -53.5839 -15.0547 18.4244 50.4708 -54.0616 74.535 -92.6021 7.21438 288.675 PRESSAVG: 96400 63.1728 -18.2388 -51.0365 -18.2388 -38.3233 17.1694 -51.0365 17.1692 -23.8437 GPRESSAVG: 96400 63.4149 -19.2694 -50.705 -17.4578 -37.4226 17.8632 -49.6704 17.6526 -24.8585 TIMING: 96400 CPU: 278.675, 0.00292725/step Wall: 278.675, 0.00292725/step, 3.98724 hours remaining, 200.753906 MB of memory in use. ENERGY: 96400 714.0698 2027.2623 1958.0371 112.6779 -206099.2683 17805.7622 0.0000 0.0000 34317.5284 -149163.9306 299.7035 -183481.4590 -149064.4019 299.4120 32.8715 60.3433 557388.9731 0.3353 0.3779 PRESSURE: 96600 -188.173 13.0173 -109.393 13.017 -528.196 124.774 -109.393 124.773 -130.141 GPRESSURE: 96600 -212.067 -4.1672 -65.1323 -7.85544 -469.782 143.249 -154.033 158.311 -68.8166 PRESSAVG: 96600 36.7541 5.10655 -18.6134 5.10653 -9.34865 36.7278 -18.6134 36.7277 12.0971 GPRESSAVG: 96600 37.5027 6.41496 -19.1747 5.03025 -9.73074 34.3879 -17.3965 36.9188 12.4166 TIMING: 96600 CPU: 279.248, 0.00286388/step Wall: 279.248, 0.00286388/step, 3.90076 hours remaining, 200.957031 MB of memory in use. ENERGY: 96600 784.0428 2090.4114 1942.6356 117.2290 -205923.5547 17479.7916 0.0000 0.0000 34327.3189 -149182.1255 299.7890 -183509.4444 -149094.6149 299.2408 -282.1701 -250.2221 560010.4257 13.1675 13.3962 PRESSURE: 96800 -17.872 93.1914 -71.3278 93.1911 -237.691 45.3488 -71.3284 45.3495 -85.801 GPRESSURE: 96800 40.3409 135.692 -56.7237 73.523 -169.534 41.5358 -76.8559 31.5001 -123.731 PRESSAVG: 96800 -1.3126 33.2059 -18.9815 33.2059 -0.116433 -9.32994 -18.9815 -9.32979 21.3907 GPRESSAVG: 96800 -1.77764 33.3988 -18.1938 33.4992 -0.0701889 -6.80056 -19.4859 -9.60072 21.5483 TIMING: 96800 CPU: 279.823, 0.00287431/step Wall: 279.823, 0.00287431/step, 3.91481 hours remaining, 200.957031 MB of memory in use. ENERGY: 96800 727.2249 2039.1292 1948.3152 115.6809 -206080.9319 17590.3919 0.0000 0.0000 34292.8202 -149367.3695 299.4877 -183660.1897 -149271.5474 298.8180 -113.7879 -84.3080 557778.6742 6.6539 6.5668 PRESSURE: 97000 -55.3545 13.2413 -52.122 13.2406 214.09 -81.7793 -52.1218 -81.782 61.6928 GPRESSURE: 97000 -47.9644 33.7112 -131.695 78.1426 265.776 -75.0657 9.14469 -50.6996 103.267 PRESSAVG: 97000 45.4538 -1.51165 -12.0836 -1.51173 -51.0672 -44.3639 -12.0836 -44.364 29.7798 GPRESSAVG: 97000 45.12 -3.25495 -12.678 -0.159218 -50.4013 -44.9028 -13.9399 -43.9607 29.1751 TIMING: 97000 CPU: 280.394, 0.00285268/step Wall: 280.394, 0.00285268/step, 3.8852 hours remaining, 200.957031 MB of memory in use. ENERGY: 97000 734.0358 2104.4306 1940.6697 121.3729 -206531.0074 17910.2838 0.0000 0.0000 34365.3407 -149354.8740 300.1211 -183720.2147 -149250.0971 299.0245 73.4760 107.0262 555592.2346 8.0555 7.9646 PRESSURE: 97200 23.3463 -128.895 192.317 -128.894 -245.66 -181.425 192.318 -181.426 250.302 GPRESSURE: 97200 68.0238 -128.711 143.291 -140.507 -185.833 -217.316 194.986 -307.448 249.612 PRESSAVG: 97200 -22.656 -2.65428 -42.9076 -2.6543 1.11503 -26.4076 -42.9076 -26.4076 49.8625 GPRESSAVG: 97200 -22.2149 -1.42033 -43.7165 -4.95878 0.607671 -25.3631 -42.7271 -27.968 50.595 TIMING: 97200 CPU: 280.966, 0.00285979/step Wall: 280.966, 0.00285979/step, 3.89471 hours remaining, 200.957031 MB of memory in use. ENERGY: 97200 742.0168 2045.1927 1939.4653 109.2316 -206371.7896 17829.9536 0.0000 0.0000 34365.1646 -149340.7651 300.1195 -183705.9297 -149242.4223 299.4494 9.3295 43.9342 557347.4561 9.4405 9.6626 PRESSURE: 97400 -5.3586 87.4782 -140.603 87.4782 -55.9298 -79.1638 -140.602 -79.1653 27.4922 GPRESSURE: 97400 23.5992 65.196 -109.479 91.0323 -34.4206 -135.401 -173.537 -33.1142 75.6697 PRESSAVG: 97400 -32.9684 13.5168 20.3739 13.5168 -0.532707 14.0477 20.3742 14.0477 65.7768 GPRESSAVG: 97400 -32.4794 13.5985 21.4855 12.6308 -0.712516 13.9602 19.6078 13.747 65.6372 TIMING: 97400 CPU: 281.542, 0.00287957/step Wall: 281.542, 0.00287957/step, 3.9215 hours remaining, 200.957031 MB of memory in use. ENERGY: 97400 761.3928 2069.0019 1941.0905 107.7321 -206274.4215 17791.4849 0.0000 0.0000 34275.7571 -149327.9622 299.3387 -183603.7193 -149234.6129 298.9250 -11.2654 21.6161 555666.1177 10.7586 10.8151 PRESSURE: 97600 381.788 -72.9117 -29.9445 -72.9109 -52.7165 84.6028 -29.9451 84.6033 38.7743 GPRESSURE: 97600 378.707 15.9979 -95.2547 -146.126 0.782831 74.4925 47.9994 35.5264 71.4651 PRESSAVG: 97600 -22.5962 -50.5774 -1.78865 -50.5774 33.3394 19.1623 -1.78856 19.1625 -33.6196 GPRESSAVG: 97600 -22.4475 -50.6609 -3.00994 -49.4398 33.2413 18.5335 1.72514 21.1611 -34.7613 TIMING: 97600 CPU: 282.112, 0.00284992/step Wall: 282.112, 0.00284992/step, 3.88096 hours remaining, 200.957031 MB of memory in use. ENERGY: 97600 730.8588 2112.1594 1937.0835 117.8044 -206439.1725 17915.9921 0.0000 0.0000 34321.3275 -149303.9468 299.7367 -183625.2743 -149210.1038 299.1694 122.6152 150.3184 557125.9145 -7.6255 -7.9892 PRESSURE: 97800 6.78505 -86.8167 87.389 -86.8166 124.051 87.5174 87.3893 87.5175 36.8458 GPRESSURE: 97800 -3.65694 -98.0098 110.132 -152.595 143.006 60.8049 139.625 46.4132 116.132 PRESSAVG: 97800 -7.78998 -10.4046 43.5721 -10.4046 35.6586 -4.64791 43.5722 -4.64795 -9.78997 GPRESSAVG: 97800 -8.49231 -10.303 44.6522 -10.9559 34.2376 -5.18169 40.6933 -3.82117 -7.8814 TIMING: 97800 CPU: 282.683, 0.00285949/step Wall: 282.683, 0.00285949/step, 3.89383 hours remaining, 201.214844 MB of memory in use. ENERGY: 97800 768.6995 2020.0366 1918.0834 115.5235 -206304.8618 17885.1511 0.0000 0.0000 34347.9405 -149249.4271 299.9691 -183597.3676 -149158.3919 298.8968 55.8940 85.1604 556321.9506 6.0262 5.9546 PRESSURE: 98000 -297.338 10.1021 -43.2359 10.1017 238.99 -46.4633 -43.2334 -46.4618 -251.923 GPRESSURE: 98000 -295.258 126.866 30.3046 28.415 296.384 -57.9115 -127.214 -43.5064 -213.061 PRESSAVG: 98000 -80.0473 6.10419 -18.678 6.10406 32.3865 20.4476 -18.678 20.4475 53.0244 GPRESSAVG: 98000 -80.2975 6.69266 -18.0134 7.93315 33.0869 20.7164 -20.5586 19.1244 52.6482 TIMING: 98000 CPU: 283.255, 0.00285983/step Wall: 283.255, 0.00285983/step, 3.89413 hours remaining, 201.214844 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: 98000 743.3535 2085.2777 1947.3802 117.6994 -205856.6674 17632.1899 0.0000 0.0000 34112.1418 -149218.6250 297.9098 -183330.7668 -149122.6952 299.7876 -103.4234 -70.6452 558296.6682 1.7879 1.8125 PRESSURE: 98200 -157.086 -61.2243 -69.1641 -61.2248 -251.639 42.2357 -69.1647 42.237 -299.283 GPRESSURE: 98200 -148.393 -44.1665 -51.6022 -16.2515 -202.149 78.9147 -90.8785 -58.9795 -261.062 PRESSAVG: 98200 -73.4976 -2.16415 21.7171 -2.16416 -10.2522 22.7974 21.717 22.7974 69.8439 GPRESSAVG: 98200 -72.3771 -3.09135 20.4661 -3.77078 -9.72617 21.326 23.5023 22.9182 69.0107 TIMING: 98200 CPU: 283.831, 0.00287841/step Wall: 283.831, 0.00287841/step, 3.91928 hours remaining, 201.214844 MB of memory in use. ENERGY: 98200 748.8914 2083.3978 1946.5603 109.9220 -205819.6234 17502.1827 0.0000 0.0000 34082.4507 -149346.2184 297.6505 -183428.6692 -149252.9915 299.8489 -236.0024 -203.8678 558060.3782 -4.6353 -4.3642 PRESSURE: 98400 -54.9767 -91.7511 -200.705 -91.7508 -5.47551 -144.547 -200.706 -144.546 -20.7619 GPRESSURE: 98400 43.5514 -87.5664 -217.942 -140.236 9.84384 -199.757 -178.876 -87.4329 -39.9628 PRESSAVG: 98400 -6.15968 -16.0902 -11.9917 -16.0902 -43.9598 -10.64 -11.9917 -10.6401 75.7865 GPRESSAVG: 98400 -7.89613 -15.0117 -11.6176 -14.6327 -43.6025 -11.4069 -11.3966 -9.18058 77.633 TIMING: 98400 CPU: 284.406, 0.00287479/step Wall: 284.406, 0.00287479/step, 3.91419 hours remaining, 201.214844 MB of memory in use. ENERGY: 98400 749.9329 2057.1137 1925.3787 107.2331 -206199.7883 17779.9501 0.0000 0.0000 34385.0789 -149195.1009 300.2934 -183580.1798 -149101.6138 299.0704 -27.0714 4.4775 557243.5254 8.5557 8.7114 PRESSURE: 98600 -29.3202 -48.1914 95.3078 -48.1919 -226.528 106.167 95.3075 106.167 42.7472 GPRESSURE: 98600 -4.42613 -100.893 132.254 -44.5094 -150.816 140.439 47.2014 48.6063 36.041 PRESSAVG: 98600 8.98094 -3.89598 -16.5804 -3.89597 26.7554 -26.7115 -16.5805 -26.7115 0.970722 GPRESSAVG: 98600 9.76156 -2.97245 -17.9611 -5.25648 25.855 -23.9457 -16.1671 -28.7815 0.365658 TIMING: 98600 CPU: 284.981, 0.00287672/step Wall: 284.981, 0.00287672/step, 3.91666 hours remaining, 201.214844 MB of memory in use. ENERGY: 98600 732.1645 2022.0368 1943.9596 109.4601 -206151.6074 17782.9215 0.0000 0.0000 34291.2357 -149269.8292 299.4739 -183561.0649 -149176.0409 299.4250 -71.0338 -39.7336 556955.7699 12.2357 11.9941 PRESSURE: 98800 105.025 -25.4638 41.8699 -25.4632 -91.2963 -64.8681 41.871 -64.87 44.5808 GPRESSURE: 98800 174.25 70.1713 34.3991 -114.463 -86.1486 25.7355 7.97918 -104.965 63.0119 PRESSAVG: 98800 -7.39251 -9.15463 -59.5257 -9.15461 23.896 -18.2728 -59.5258 -18.2728 15.5281 GPRESSAVG: 98800 -6.81525 -9.16522 -58.6662 -7.88352 23.6759 -20.3164 -59.1678 -17.4628 14.8598 TIMING: 98800 CPU: 285.557, 0.00287767/step Wall: 285.557, 0.00287767/step, 3.91778 hours remaining, 201.214844 MB of memory in use. ENERGY: 98800 739.5353 2045.7333 1920.9513 111.7233 -205985.7605 17659.4533 0.0000 0.0000 34369.9907 -149138.3732 300.1617 -183508.3640 -149041.7254 298.7683 19.4364 50.3710 555946.5146 10.6772 10.5735 PRESSURE: 99000 78.9063 40.1744 -131.646 40.1731 -96.7067 -94.8161 -131.645 -94.8174 27.57 GPRESSURE: 99000 82.0709 30.63 -191.366 -0.40597 -50.0602 -128.83 -65.3411 -138.81 61.2948 PRESSAVG: 99000 27.7807 3.54114 -69.4179 3.54114 35.239 -59.7335 -69.418 -59.7337 -32.3327 GPRESSAVG: 99000 27.8987 2.97301 -69.5102 4.47576 34.5652 -58.319 -69.4814 -60.6583 -31.8526 TIMING: 99000 CPU: 286.135, 0.00289036/step Wall: 286.135, 0.00289036/step, 3.9349 hours remaining, 201.214844 MB of memory in use. ENERGY: 99000 763.4663 2166.4820 1937.8379 127.4589 -205944.8613 17668.8114 0.0000 0.0000 34572.7878 -148708.0169 301.9328 -183280.8047 -148611.2057 300.2948 3.2565 31.1018 556036.5592 10.2290 10.2038 PRESSURE: 99200 20.9156 -135.323 -72.0577 -135.324 104.927 -30.4188 -72.059 -30.4183 -391.51 GPRESSURE: 99200 62.0243 -102.38 -182.29 -126.28 175.991 -13.9739 26.7931 -31.3192 -408.837 PRESSAVG: 99200 53.7194 -24.6493 13.3487 -24.6493 -66.8675 -53.8673 13.3488 -53.8674 18.3771 GPRESSAVG: 99200 52.3326 -26.2616 12.3602 -23.7586 -65.9056 -52.6054 13.1525 -53.9583 19.0593 TIMING: 99200 CPU: 286.715, 0.00290093/step Wall: 286.715, 0.00290093/step, 3.94913 hours remaining, 201.214844 MB of memory in use. ENERGY: 99200 727.0413 2119.9637 1945.8991 131.0947 -205546.8032 17414.8889 0.0000 0.0000 34635.7176 -148572.1978 302.4823 -183207.9154 -148474.9929 300.4221 -88.5558 -56.9405 557275.9445 1.7430 1.8287 PRESSURE: 99400 -199.45 -39.9573 -2.54196 -39.9576 34.6884 -36.615 -2.5425 -36.6166 -234.186 GPRESSURE: 99400 -91.2725 -26.5503 -59.601 -80.3252 7.5794 -62.3822 1.93093 -48.3083 -219.123 PRESSAVG: 99400 -72.443 -14.3656 1.95198 -14.3656 52.3306 -62.6487 1.95204 -62.6486 34.2914 GPRESSAVG: 99400 -70.8963 -11.3166 1.76179 -16.4437 52.4179 -65.3806 2.33315 -60.609 32.4857 TIMING: 99400 CPU: 287.295, 0.00290148/step Wall: 287.295, 0.00290148/step, 3.94973 hours remaining, 201.214844 MB of memory in use. ENERGY: 99400 764.9748 2125.0514 1937.1007 106.5788 -205561.7974 17544.9446 0.0000 0.0000 34279.6761 -148803.4709 299.3729 -183083.1470 -148709.9370 300.3677 -132.9824 -100.9386 557671.2716 4.7263 4.6691 PRESSURE: 99600 -196.991 -87.2213 -23.0238 -87.2209 -82.6264 11.4506 -23.0234 11.4503 -133.162 GPRESSURE: 99600 -167.427 -78.916 36.457 -101.011 -52.5024 -27.4264 -2.71404 69.5263 -87.5716 PRESSAVG: 99600 14.8235 -16.2409 11.1015 -16.2408 -25.8108 -67.4481 11.1015 -67.4481 -0.198747 GPRESSAVG: 99600 14.9489 -16.7313 10.8223 -16.2411 -27.2842 -65.9276 13.282 -67.939 1.51613 TIMING: 99600 CPU: 287.871, 0.00287779/step Wall: 287.871, 0.00287779/step, 3.91731 hours remaining, 201.214844 MB of memory in use. ENERGY: 99600 773.0690 2139.8200 1941.8804 115.1823 -205931.2278 17527.5161 0.0000 0.0000 34517.6752 -148916.0849 301.4514 -183433.7601 -148820.9247 300.2070 -137.5931 -102.5002 556258.8381 -3.7287 -3.6064 PRESSURE: 99800 203.147 -129.51 60.945 -129.51 57.152 83.0224 60.9445 83.0224 -107.081 GPRESSURE: 99800 198.862 -81.7396 9.79312 -191.272 171.467 78.861 59.5361 109.41 -115.694 PRESSAVG: 99800 20.566 37.1386 -10.7043 37.1386 -51.6005 -30.9025 -10.7044 -30.9025 45.1552 GPRESSAVG: 99800 21.1443 36.3437 -10.3006 36.3328 -50.7678 -32.9635 -13.8468 -32.2011 43.9976 TIMING: 99800 CPU: 288.446, 0.00287281/step Wall: 288.446, 0.00287281/step, 3.91037 hours remaining, 201.214844 MB of memory in use. ENERGY: 99800 755.1061 2103.3961 1943.9953 112.7503 -206155.2413 17812.1724 0.0000 0.0000 34561.4815 -148866.3396 301.8340 -183427.8210 -148764.4211 300.1082 51.0725 84.8783 558193.7852 4.7069 4.7914 PRESSURE: 100000 10.5984 -112.319 -62.2927 -112.318 -342.473 67.6501 -62.2921 67.6509 -38.5205 GPRESSURE: 100000 16.8867 -124.414 -186.713 -102.062 -288.333 117.184 -43.4814 44.2696 -8.77177 PRESSAVG: 100000 42.7165 -5.94225 -68.1691 -5.94216 -19.0865 -2.20935 -68.1691 -2.2093 -10.212 GPRESSAVG: 100000 41.8747 -7.67605 -66.3952 -3.29624 -19.5336 -0.0939035 -67.5236 -2.38873 -8.91665 TIMING: 100000 CPU: 289.022, 0.00288117/step Wall: 289.022, 0.00288117/step, 3.9216 hours remaining, 203.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 100000 784.7774 2145.7584 1967.7299 130.7847 -205783.8798 17739.8521 0.0000 0.0000 34222.4132 -148792.5640 298.8728 -183014.9772 -148698.2501 300.5449 -123.4651 -93.4062 559197.9732 4.4727 4.4748 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.013 seconds, 203.816 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.004 seconds, 204.641 MB of memory in use PRESSURE: 100200 8.08464 42.527 -106.813 42.5271 -111.331 -71.197 -106.813 -71.1978 -69.5935 GPRESSURE: 100200 57.1423 110.599 -53.4562 -33.6091 -63.4411 -76.9181 -60.1273 -71.005 -80.3111 PRESSAVG: 100200 29.3296 -18.827 -68.8347 -18.827 -112.261 -3.56893 -68.8349 -3.56884 82.4028 GPRESSAVG: 100200 30.0152 -17.555 -71.8571 -20.0171 -111.356 -3.99585 -69.1208 -3.28467 80.8847 TIMING: 100200 CPU: 289.665, 0.00321428/step Wall: 289.665, 0.00321428/step, 4.37482 hours remaining, 204.761719 MB of memory in use. ENERGY: 100200 740.1813 2102.5839 1941.3203 123.9808 -205859.8869 17769.9861 0.0000 0.0000 34280.1627 -148901.6717 299.3772 -183181.8344 -148803.8665 300.1598 -57.6131 -28.8700 559649.4527 -0.1763 -0.1519 LDB: ============= START OF LOAD BALANCING ============== 293.048 LDB: ============== END OF LOAD BALANCING =============== 293.048 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 293.049 LDB: ============= START OF LOAD BALANCING ============== 293.34 LDB: Largest compute 4800 load 0.023657 is 20.1% of average load 0.117869 LDB: Average compute 0.001715 is 1.5% of average load 0.117869 LDB: TIME 293.343 LOAD: AVG 0.117869 MAX 0.181484 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.961 MB LDB: TIME 293.343 LOAD: AVG 0.117869 MAX 0.181484 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.961 MB LDB: TIME 293.343 LOAD: AVG 0.117869 MAX 0.181484 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 293.345 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 293.349 PRESSURE: 100400 -240.692 -83.4326 22.0973 -83.4331 82.7434 -49.8231 22.0975 -49.8213 -85.6442 GPRESSURE: 100400 -220.767 -54.5245 -48.2621 -144.401 89.722 -34.0037 17.7838 -106.613 -19.804 PRESSAVG: 100400 -22.5602 -66.4964 -44.6219 -66.4963 -40.4737 -9.86587 -44.6219 -9.86586 8.25723 GPRESSAVG: 100400 -22.7847 -65.9833 -45.3018 -67.3379 -41.1614 -9.76342 -44.6211 -10.7257 8.80066 TIMING: 100400 CPU: 290.253, 0.00294364/step Wall: 290.253, 0.00294364/step, 4.00629 hours remaining, 208.007812 MB of memory in use. ENERGY: 100400 778.0511 2044.2522 1927.7696 128.0812 -205795.1352 17621.9017 0.0000 0.0000 34076.2103 -149218.8691 297.5960 -183295.0794 -149117.3295 299.5941 -81.1976 -50.2832 556866.9920 -18.2589 -18.3818 PRESSURE: 100600 358.464 -101.029 -49.5221 -101.029 18.4595 -79.6911 -49.5236 -79.6913 302.6 GPRESSURE: 100600 367.664 -66.8603 -52.1881 -9.51658 75.3008 -219.461 -25.7688 -0.547171 339.804 PRESSAVG: 100600 -0.866428 -40.9299 -14.9627 -40.9299 6.63472 2.2846 -14.9626 2.28462 -10.7296 GPRESSAVG: 100600 -0.759717 -42.0764 -13.832 -39.062 6.4766 1.50994 -14.3033 3.84585 -10.525 TIMING: 100600 CPU: 290.831, 0.002886/step Wall: 290.831, 0.002886/step, 3.92769 hours remaining, 208.078125 MB of memory in use. ENERGY: 100600 770.1174 2128.5809 1925.4650 120.6126 -206561.2210 18189.1397 0.0000 0.0000 34327.5579 -149099.7475 299.7911 -183427.3054 -149010.4241 299.2909 226.5078 260.9229 555958.9299 -1.6538 -1.6027 PRESSURE: 100800 128.269 -46.4694 -57.4682 -46.4695 -274.197 -40.6386 -57.4695 -40.6389 -361.568 GPRESSURE: 100800 116.335 59.7031 -32.4002 -87.7478 -221.455 -94.5967 -80.5627 -9.96053 -291.449 PRESSAVG: 100800 -19.9773 -16.9399 -7.31543 -16.9398 10.7994 0.211517 -7.31542 0.211601 -37.0022 GPRESSAVG: 100800 -20.5608 -14.7317 -6.4781 -18.7389 12.0775 -0.142927 -7.26344 -3.1349 -37.7248 TIMING: 100800 CPU: 291.406, 0.00287666/step Wall: 291.406, 0.00287666/step, 3.91482 hours remaining, 208.078125 MB of memory in use. ENERGY: 100800 754.3735 2113.7494 1934.4163 120.6671 -205676.4297 17525.1720 0.0000 0.0000 34168.3020 -149059.7492 298.4003 -183228.0513 -148968.7176 300.1133 -169.1651 -132.1894 558138.1776 -15.3934 -15.4027 PRESSURE: 101000 -132.663 -11.9269 -67.143 -11.9272 52.5858 -121.378 -67.142 -121.378 -306.116 GPRESSURE: 101000 -123.056 -41.7606 -7.53807 31.888 89.1343 -126.249 9.6812 -134.671 -246.682 PRESSAVG: 101000 10.1553 -2.17369 -50.0444 -2.17365 2.81901 -35.408 -50.0443 -35.408 -33.2083 GPRESSAVG: 101000 8.78351 -3.50465 -51.2402 -1.86984 3.45398 -34.9158 -48.8363 -33.2352 -32.535 TIMING: 101000 CPU: 291.985, 0.00289547/step Wall: 291.985, 0.00289547/step, 3.94026 hours remaining, 208.078125 MB of memory in use. ENERGY: 101000 759.5930 2098.8858 1914.7083 119.9462 -205828.4470 17644.7725 0.0000 0.0000 34267.9833 -149022.5579 299.2708 -183290.5412 -148923.6186 300.0987 -128.7308 -93.5347 558838.5199 -6.7446 -6.7658 PRESSURE: 101200 -142.14 -102.505 -82.7792 -102.507 -309.781 105.13 -82.7797 105.128 -209.536 GPRESSURE: 101200 -102.366 -188.7 -150.211 -76.9196 -269.271 58.3375 -9.19666 146.251 -194.083 PRESSAVG: 101200 -34.5759 -15.5397 15.9772 -15.5397 51.1273 -11.5425 15.9771 -11.5425 25.394 GPRESSAVG: 101200 -32.956 -13.6935 16.2078 -15.039 50.0982 -11.9217 16.2854 -12.1923 24.4993 TIMING: 101200 CPU: 292.565, 0.0029013/step Wall: 292.565, 0.0029013/step, 3.94803 hours remaining, 208.078125 MB of memory in use. ENERGY: 101200 725.8134 2134.7022 1938.6160 119.2206 -205710.8314 17420.2192 0.0000 0.0000 34326.5086 -149045.7514 299.7819 -183372.2599 -148949.7257 299.4667 -220.4860 -188.5732 558711.4530 13.9818 13.8805 PRESSURE: 101400 28.6232 154.737 40.0186 154.736 -209.131 -2.51237 40.0183 -2.51203 134.094 GPRESSURE: 101400 36.9436 167.161 32.8893 162.929 -212.17 -72.3368 -36.5841 108.277 223.494 PRESSAVG: 101400 23.8655 6.97299 25.807 6.97298 -87.3587 7.02959 25.807 7.02954 59.1287 GPRESSAVG: 101400 23.9749 7.17727 26.5488 5.74649 -87.5825 6.62846 24.4799 8.71522 59.6003 TIMING: 101400 CPU: 293.141, 0.00287713/step Wall: 293.141, 0.00287713/step, 3.91497 hours remaining, 208.078125 MB of memory in use. ENERGY: 101400 739.5460 2072.0669 1942.6124 110.9199 -206053.5998 17813.3737 0.0000 0.0000 34456.9221 -148918.1586 300.9209 -183375.0807 -148818.2574 299.8737 -15.4710 16.0893 558671.9784 -1.4549 -1.3357 PRESSURE: 101600 83.0789 -116.397 99.8966 -116.398 -30.22 46.4781 99.897 46.479 -58.5541 GPRESSURE: 101600 155.054 -99.8198 97.0368 -103.602 -46.8067 -5.54532 72.8313 131.947 -4.25884 PRESSAVG: 101600 41.9542 -9.11211 54.9303 -9.1121 -23.3248 -31.3203 54.9304 -31.3203 -6.96826 GPRESSAVG: 101600 42.0942 -9.0118 56.5833 -7.4741 -24.1115 -30.7956 54.0382 -32.4939 -6.21302 TIMING: 101600 CPU: 293.715, 0.00287157/step Wall: 293.715, 0.00287157/step, 3.90724 hours remaining, 208.078125 MB of memory in use. ENERGY: 101600 706.5605 2076.4517 1919.8914 126.5021 -206017.8280 17819.6661 0.0000 0.0000 34204.0991 -149164.6570 298.7129 -183368.7562 -149063.0088 299.8043 -1.8984 34.6628 557872.7492 3.8870 3.9232 PRESSURE: 101800 23.5482 -75.0855 37.6665 -75.0864 92.2063 160.362 37.6667 160.363 55.0483 GPRESSURE: 101800 104.19 -103.799 94.3918 -90.7922 116.833 149.504 36.1827 220.475 56.7771 PRESSAVG: 101800 46.3535 -1.50621 7.31994 -1.50614 -37.2541 23.3686 7.31991 23.3686 -38.6719 GPRESSAVG: 101800 44.8034 -1.07756 5.85528 -1.56785 -36.8259 24.9398 8.84856 24.4095 -38.5348 TIMING: 101800 CPU: 294.289, 0.00286957/step Wall: 294.289, 0.00286957/step, 3.90437 hours remaining, 208.078125 MB of memory in use. ENERGY: 101800 692.4353 2051.3831 1912.5097 103.8324 -205896.8578 17769.3421 0.0000 0.0000 34356.3128 -149011.0423 300.0422 -183367.3552 -148919.8887 299.0412 56.9343 92.5999 558861.6318 -9.8575 -10.1858 PRESSURE: 102000 -5.28191 96.6175 -14.8872 96.6168 -60.8758 -41.0032 -14.8868 -41.0023 -123.31 GPRESSURE: 102000 -25.5104 190.803 90.8926 46.4438 16.2098 -88.0371 -22.3667 0.0685818 -76.9246 PRESSAVG: 102000 -4.33103 79.1814 -4.78428 79.1813 4.48818 -10.9666 -4.78431 -10.9665 45.0649 GPRESSAVG: 102000 -4.72868 79.2705 -4.29272 78.1437 5.4031 -11.5635 -4.55451 -10.6578 44.7463 TIMING: 102000 CPU: 294.866, 0.00288388/step Wall: 294.866, 0.00288388/step, 3.92368 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 102000 719.0852 2049.3548 1978.6238 127.0942 -205795.6389 17660.9909 0.0000 0.0000 34201.8949 -149058.5951 298.6937 -183260.4900 -148962.8929 299.4997 -63.1559 -28.7417 558771.3863 15.0740 15.1402 PRESSURE: 102200 6.66713 -0.931336 -37.1011 -0.930977 76.1835 111.59 -37.0992 111.592 137.828 GPRESSURE: 102200 51.7922 -37.174 -45.9332 0.666209 102.786 43.6849 8.11524 32.088 159.745 PRESSAVG: 102200 -23.0593 11.0144 21.8722 11.0145 -5.20161 -35.4483 21.8723 -35.4483 31.0114 GPRESSAVG: 102200 -21.9197 10.0374 22.4073 11.0271 -6.43713 -36.473 18.6794 -37.7491 31.0521 TIMING: 102200 CPU: 295.443, 0.00288439/step Wall: 295.443, 0.00288439/step, 3.92422 hours remaining, 208.078125 MB of memory in use. ENERGY: 102200 736.7377 2129.7084 1939.9705 124.0885 -205978.5438 17783.8927 0.0000 0.0000 34054.4041 -149209.7419 297.4056 -183264.1461 -149112.0637 299.1832 73.5595 104.7744 559187.8206 0.9168 0.8985 PRESSURE: 102400 -216.492 26.8475 -10.2635 26.8468 -144.212 -85.5344 -10.263 -85.5341 -96.4332 GPRESSURE: 102400 -204.596 29.448 -84.2413 15.4507 -143.653 -31.455 -5.25881 -92.5267 -9.0713 PRESSAVG: 102400 36.3668 -21.1042 -5.30447 -21.1042 -38.3363 32.334 -5.30441 32.334 32.1983 GPRESSAVG: 102400 36.6967 -19.612 -6.41116 -20.4462 -37.6393 32.1961 -4.40981 34.0634 31.347 TIMING: 102400 CPU: 296.022, 0.0028983/step Wall: 296.022, 0.0028983/step, 3.94297 hours remaining, 208.078125 MB of memory in use. ENERGY: 102400 729.0626 2113.5856 1917.5261 104.6698 -205610.2311 17476.1260 0.0000 0.0000 34161.3428 -149107.9182 298.3395 -183269.2610 -149012.7518 298.7564 -152.3789 -119.1069 559215.7411 10.0763 10.1348 PRESSURE: 102600 -85.8643 -125.642 110.588 -125.643 -117.435 34.3361 110.587 34.3359 89.7749 GPRESSURE: 102600 -22.9841 -98.7215 65.9712 -124.974 -48.8141 -10.2689 167.846 76.8741 61.0449 PRESSAVG: 102600 26.3957 2.2808 -45.6101 2.2808 -55.7972 19.0784 -45.6101 19.0783 43.2083 GPRESSAVG: 102600 25.8437 2.96462 -46.559 3.17393 -55.8376 18.86 -45.4118 19.101 43.9865 TIMING: 102600 CPU: 296.602, 0.00290093/step Wall: 296.602, 0.00290093/step, 3.94639 hours remaining, 208.078125 MB of memory in use. ENERGY: 102600 766.3600 2100.3129 1940.9188 114.6409 -205919.1985 17802.0953 0.0000 0.0000 34105.9655 -149088.9051 297.8559 -183194.8707 -148998.6691 299.7132 -37.8415 -3.5844 557928.7637 4.6023 4.6642 PRESSURE: 102800 -26.9955 52.2557 -15.965 52.2556 197.805 115.016 -15.9653 115.015 32.7507 GPRESSURE: 102800 31.8184 54.176 -61.7498 45.9711 198.881 196.934 -88.1992 78.6887 75.3401 PRESSAVG: 102800 21.011 -31.299 14.1939 -31.299 -79.6995 9.69493 14.1939 9.6949 72.1442 GPRESSAVG: 102800 21.0609 -32.1613 17.0914 -33.6249 -79.914 11.8542 13.8451 9.42412 71.9504 TIMING: 102800 CPU: 297.183, 0.00290173/step Wall: 297.183, 0.00290173/step, 3.94732 hours remaining, 208.078125 MB of memory in use. ENERGY: 102800 733.2349 2091.0395 1937.4132 109.7253 -206025.9762 17699.5199 0.0000 0.0000 34271.3468 -149183.6966 299.3002 -183455.0434 -149087.6903 299.6992 67.8534 102.0133 556517.8265 4.4853 4.3657 PRESSURE: 103000 -9.99575 16.4411 152.192 16.4403 -256.01 23.4436 152.192 23.443 -61.7996 GPRESSURE: 103000 50.5386 -15.1227 83.1186 -35.7761 -251.288 3.99052 62.0765 -34.3371 -39.6708 PRESSAVG: 103000 32.1589 -46.2949 -32.0849 -46.2949 -73.0087 7.18624 -32.0848 7.18622 27.615 GPRESSAVG: 103000 31.2395 -45.9864 -33.3027 -44.9742 -73.1234 6.31455 -33.4868 6.23767 28.5838 TIMING: 103000 CPU: 297.761, 0.00289082/step Wall: 297.761, 0.00289082/step, 3.93232 hours remaining, 208.078125 MB of memory in use. ENERGY: 103000 770.4760 2111.3035 1961.3938 106.5998 -205765.3540 17526.7788 0.0000 0.0000 34312.3314 -148976.4706 299.6581 -183288.8020 -148891.8208 300.1659 -109.2685 -80.1402 558465.4710 -4.4116 -4.4334 PRESSURE: 103200 -167.938 114.823 -37.7372 114.825 -180.219 -78.5313 -37.7377 -78.5314 -22.5323 GPRESSURE: 103200 -101.205 -31.925 -67.7931 265.489 -186.522 -136.969 71.4098 -31.532 4.31847 PRESSAVG: 103200 -36.8112 34.7759 -59.8127 34.7759 -40.2008 -47.3874 -59.8127 -47.3874 77.5989 GPRESSAVG: 103200 -35.2159 35.2115 -59.0191 35.1892 -41.7605 -46.3784 -60.2335 -47.5074 76.8948 TIMING: 103200 CPU: 298.338, 0.00288516/step Wall: 298.338, 0.00288516/step, 3.92446 hours remaining, 208.078125 MB of memory in use. ENERGY: 103200 745.9786 2142.6148 1932.1167 130.0341 -205786.0288 17527.6732 0.0000 0.0000 34314.0490 -148993.5623 299.6731 -183307.6113 -148895.5892 300.3954 -123.5630 -94.4694 557047.0471 0.1957 -0.0272 PRESSURE: 103400 -15.3452 49.8244 9.7464 49.8258 143.153 103.142 9.74685 103.143 402.733 GPRESSURE: 103400 0.600885 38.7689 -4.64441 45.2379 176.014 177.436 38.5605 28.0013 443.616 PRESSAVG: 103400 -28.7311 -5.64113 15.2346 -5.64103 -103.2 2.30033 15.2345 2.30035 120.901 GPRESSAVG: 103400 -30.9931 -6.90012 14.6946 -5.31555 -101.316 3.29731 17.3815 1.44286 121.275 TIMING: 103400 CPU: 298.91, 0.00285974/step Wall: 298.91, 0.00285974/step, 3.88973 hours remaining, 208.078125 MB of memory in use. ENERGY: 103400 734.0120 2092.3718 1940.2951 123.2450 -206572.3985 18003.9381 0.0000 0.0000 34575.0455 -149103.4909 301.9525 -183678.5364 -148999.4402 300.4197 176.8471 206.7438 556800.6613 -3.6768 -3.6780 PRESSURE: 103600 -101.203 19.674 142.69 19.6745 -282.574 43.0019 142.69 43.0011 -268.555 GPRESSURE: 103600 -58.4451 -16.584 111.124 61.0918 -235.822 26.4205 129.922 45.3426 -243.348 PRESSAVG: 103600 20.5078 -8.21149 17.5519 -8.2115 -51.5027 -15.9031 17.5519 -15.9032 81.2483 GPRESSAVG: 103600 20.7308 -9.6056 15.8882 -9.78064 -53.0163 -18.2467 17.9568 -15.4283 82.3399 TIMING: 103600 CPU: 299.483, 0.00286571/step Wall: 299.483, 0.00286571/step, 3.89769 hours remaining, 208.078125 MB of memory in use. ENERGY: 103600 783.5191 2070.2738 1933.4966 112.7204 -206343.8773 17752.2426 0.0000 0.0000 34375.9176 -149315.7072 300.2134 -183691.6248 -149211.2749 300.0837 -217.4440 -179.2050 557972.2108 16.7512 16.6848 PRESSURE: 103800 -38.4523 69.9899 27.716 69.9902 -21.6345 -29.2426 27.7153 -29.2453 -22.9227 GPRESSURE: 103800 47.594 87.5629 -50.7597 62.0737 -24.8329 -62.3511 -23.3119 43.8513 -10.587 PRESSAVG: 103800 -55.8602 39.599 8.0318 39.599 -1.27533 -23.7587 8.03173 -23.7587 22.7077 GPRESSAVG: 103800 -55.682 40.0058 9.45166 41.1148 -0.536651 -23.9738 5.78711 -22.8872 21.6891 TIMING: 103800 CPU: 300.057, 0.00286855/step Wall: 300.057, 0.00286855/step, 3.90139 hours remaining, 208.078125 MB of memory in use. ENERGY: 103800 731.7075 2124.3662 1937.3078 118.2899 -206238.2430 17675.4312 0.0000 0.0000 34295.4879 -149355.6525 299.5110 -183651.1405 -149261.0308 298.8350 -27.6698 4.0580 556025.0081 -11.4759 -11.5098 PRESSURE: 104000 -97.2996 85.2202 124.252 85.221 87.458 -31.4369 124.254 -31.4353 245.009 GPRESSURE: 104000 -95.416 141.726 -30.8279 69.8834 154.4 -52.5191 190.548 -29.1976 273.518 PRESSAVG: 104000 -45.0364 14.5374 41.6802 14.5375 21.2899 -6.03989 41.6802 -6.03986 18.8201 GPRESSAVG: 104000 -44.454 14.1198 41.3644 14.5232 20.6384 -4.16161 43.6414 -6.75898 18.453 TIMING: 104000 CPU: 300.629, 0.00286102/step Wall: 300.629, 0.00286102/step, 3.89098 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 104000 740.1357 2119.2121 1931.7849 111.0208 -206273.3279 17827.2098 0.0000 0.0000 34350.4144 -149193.5503 299.9907 -183543.9647 -149099.8140 298.7112 78.3890 110.8340 555967.4630 -1.6421 -1.7875 PRESSURE: 104200 -68.9577 152.078 -52.7647 152.078 -9.21259 -28.8786 -52.7652 -28.879 68.1848 GPRESSURE: 104200 -33.3834 93.4058 -39.6144 215.134 25.0367 -31.0182 -135.425 -21.2265 95.958 PRESSAVG: 104200 -36.618 44.985 -2.92966 44.9851 -30.3869 -39.6058 -2.92975 -39.6058 31.3403 GPRESSAVG: 104200 -37.136 47.375 -2.53007 42.0436 -29.7846 -39.3745 -2.3191 -39.6953 30.9516 TIMING: 104200 CPU: 301.205, 0.00287908/step Wall: 301.205, 0.00287908/step, 3.91539 hours remaining, 208.078125 MB of memory in use. ENERGY: 104200 744.7332 2110.7660 1947.3726 107.9360 -205971.3899 17646.4692 0.0000 0.0000 34263.8643 -149150.2484 299.2348 -183414.1128 -149064.8912 299.3837 -3.3285 29.2038 557396.5942 -11.8882 -11.9897 LDB: ============= START OF LOAD BALANCING ============== 304.588 LDB: ============== END OF LOAD BALANCING =============== 304.588 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 304.59 LDB: ============= START OF LOAD BALANCING ============== 304.88 LDB: Largest compute 4801 load 0.022816 is 19.4% of average load 0.117819 LDB: Average compute 0.001707 is 1.4% of average load 0.117819 LDB: TIME 304.882 LOAD: AVG 0.117819 MAX 0.18129 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.328 MB LDB: TIME 304.882 LOAD: AVG 0.117819 MAX 0.18129 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.332 MB LDB: TIME 304.882 LOAD: AVG 0.117819 MAX 0.18129 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 304.884 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 304.888 PRESSURE: 104400 147.124 48.0602 11.9659 48.0607 75.232 60.998 11.9649 60.9989 152.235 GPRESSURE: 104400 172.393 10.6856 96.0779 -34.6553 108.154 106.746 -10.5432 3.38305 200.816 PRESSAVG: 104400 21.2201 24.1076 8.26282 24.1076 -43.6982 -16.3619 8.26282 -16.3619 17.9713 GPRESSAVG: 104400 22.0613 23.0262 7.88987 25.2237 -44.813 -18.2879 9.37349 -15.3224 19.2386 TIMING: 104400 CPU: 301.793, 0.00293882/step Wall: 301.793, 0.00293882/step, 3.99646 hours remaining, 204.773438 MB of memory in use. ENERGY: 104400 746.9701 2058.2599 1929.6248 107.3220 -206426.0947 18051.6087 0.0000 0.0000 34401.2467 -149131.0625 300.4346 -183532.3092 -149037.1423 299.7024 124.8636 160.4542 556102.1750 -1.5023 -1.1710 PRESSURE: 104600 194.535 -175.678 15.1241 -175.677 -101.929 57.1388 15.1244 57.1402 144.556 GPRESSURE: 104600 266.167 -227.399 51.2306 -149.901 -90.9267 33.8136 -17.1864 114.804 155.731 PRESSAVG: 104600 -5.13707 -7.19067 -30.8973 -7.19075 -44.4121 29.9641 -30.8973 29.9641 54.9608 GPRESSAVG: 104600 -5.25876 -7.59742 -31.9718 -7.25966 -43.6528 32.7215 -31.8114 28.9704 54.4516 TIMING: 104600 CPU: 302.374, 0.00290872/step Wall: 302.374, 0.00290872/step, 3.95538 hours remaining, 204.773438 MB of memory in use. ENERGY: 104600 758.9689 2100.0417 1953.8196 111.0030 -206194.2299 17777.6133 0.0000 0.0000 34309.6506 -149183.1327 299.6347 -183492.7833 -149082.6081 299.3280 79.0540 110.3238 555340.6274 1.8039 1.8467 PRESSURE: 104800 -102.937 -61.9203 -23.9508 -61.9202 146.254 8.48306 -23.9517 8.48256 -86.3146 GPRESSURE: 104800 -116.234 -111.013 87.3835 -16.4147 207.99 145.643 -91.9738 -123.149 -46.185 PRESSAVG: 104800 55.7128 -38.3417 -72.8165 -38.3418 -56.5826 37.697 -72.8165 37.697 -19.4797 GPRESSAVG: 104800 55.6294 -39.8521 -70.8905 -37.3907 -56.3852 37.7889 -73.2397 38.3006 -19.4767 TIMING: 104800 CPU: 302.949, 0.00287336/step Wall: 302.949, 0.00287336/step, 3.90713 hours remaining, 204.773438 MB of memory in use. ENERGY: 104800 723.2829 2082.3172 1922.2476 109.6214 -205827.7774 17670.1921 0.0000 0.0000 34193.1902 -149126.9259 298.6176 -183320.1162 -149036.9888 298.9905 -14.3323 15.1903 558058.6058 -6.7832 -6.7442 PRESSURE: 105000 125.91 -7.8406 -81.8422 -7.84171 182.454 -164.384 -81.8414 -164.384 225.019 GPRESSURE: 105000 179.732 -110.046 -69.4939 -4.4079 250.904 -135.659 -75.6211 -133.412 207.58 PRESSAVG: 105000 -55.2842 -42.0662 61.1265 -42.0662 -22.3109 31.8024 61.1266 31.8025 52.0378 GPRESSAVG: 105000 -55.434 -43.7039 59.5712 -40.731 -21.9984 30.0572 60.6817 30.2744 51.6935 TIMING: 105000 CPU: 303.522, 0.0028641/step Wall: 303.522, 0.0028641/step, 3.89438 hours remaining, 205.035156 MB of memory in use. ENERGY: 105000 774.7788 2056.8380 1938.6915 130.2109 -206679.0010 18247.0193 0.0000 0.0000 34180.8993 -149350.5631 298.5103 -183531.4625 -149263.9437 299.6632 177.7943 212.7386 555990.2372 -8.5191 -8.5797 PRESSURE: 105200 -145.231 -44.731 76.7054 -44.732 80.9143 129.866 76.7045 129.865 53.9603 GPRESSURE: 105200 -163.265 -87.283 83.5089 -34.2417 102.256 110.061 74.981 214.498 139.081 PRESSAVG: 105200 -4.446 37.747 8.01785 37.747 -3.38582 44.5397 8.01785 44.5397 -22.4357 GPRESSAVG: 105200 -5.10067 39.9721 9.33951 36.275 -4.45557 42.9542 7.82636 48.9939 -21.1129 TIMING: 105200 CPU: 304.101, 0.00289803/step Wall: 304.101, 0.00289803/step, 3.94035 hours remaining, 205.035156 MB of memory in use. ENERGY: 105200 748.6523 2089.8147 1941.4881 115.3105 -206219.1881 17657.1004 0.0000 0.0000 34291.8182 -149375.0039 299.4790 -183666.8221 -149281.7434 299.3518 -3.4522 26.0240 556414.0954 -10.0892 -10.2231 PRESSURE: 105400 -266.069 -14.6096 4.13568 -14.6082 -129.669 -107.661 4.13434 -107.659 -192.451 GPRESSURE: 105400 -204.68 -41.9462 -60.659 -38.5008 -82.8518 -107.432 30.6236 -38.2045 -204.046 PRESSAVG: 105400 15.7438 -62.8411 -20.395 -62.8411 -32.0948 10.0183 -20.395 10.0182 14.4888 GPRESSAVG: 105400 15.6134 -62.0407 -20.9578 -62.3841 -30.0839 10.7371 -19.7814 9.50288 13.1938 TIMING: 105400 CPU: 304.678, 0.00288328/step Wall: 304.678, 0.00288328/step, 3.92014 hours remaining, 205.128906 MB of memory in use. ENERGY: 105400 783.3610 2078.8383 1924.3473 112.7425 -206100.2353 17554.1470 0.0000 0.0000 34266.3698 -149380.4295 299.2567 -183646.7992 -149286.2571 299.1983 -196.0630 -163.8594 555592.1289 -0.6207 -0.4256 PRESSURE: 105600 -207.943 0.591323 44.171 0.592307 -241.955 -12.9203 44.171 -12.9195 65.9872 GPRESSURE: 105600 -153.907 24.2671 -4.13805 -25.748 -166.536 -18.7203 106.884 74.1885 32.3624 PRESSAVG: 105600 4.52869 -40.8999 77.9233 -40.8999 9.53957 28.976 77.9234 28.9759 1.52101 GPRESSAVG: 105600 5.08953 -39.2333 76.8824 -40.0447 8.53341 29.6788 76.9373 27.6729 2.31473 TIMING: 105600 CPU: 305.255, 0.00288691/step Wall: 305.255, 0.00288691/step, 3.92492 hours remaining, 205.128906 MB of memory in use. ENERGY: 105600 731.5991 2123.8010 1937.9097 111.2981 -206256.5652 17688.6795 0.0000 0.0000 34413.0944 -149250.1833 300.5381 -183663.2777 -149157.4612 300.3427 -127.9704 -96.0271 557122.2792 5.1964 5.3126 PRESSURE: 105800 -25.9201 106.5 -28.0637 106.501 89.1436 219.613 -28.066 219.613 114.9 GPRESSURE: 105800 4.53799 183.344 13.4723 89.5669 150.798 200.854 -81.0131 251.962 106.222 PRESSAVG: 105800 -75.8935 -27.9781 18.5251 -27.978 -12.4346 30.9418 18.525 30.9418 52.8919 GPRESSAVG: 105800 -76.3551 -31.4189 19.4319 -28.0377 -12.8515 30.7229 20.2984 31.928 53.8599 TIMING: 105800 CPU: 305.834, 0.00289513/step Wall: 305.834, 0.00289513/step, 3.93592 hours remaining, 205.128906 MB of memory in use. ENERGY: 105800 738.5670 2133.2076 1944.0683 108.7405 -206475.6000 17848.9153 0.0000 0.0000 34404.5729 -149297.5283 300.4637 -183702.1013 -149204.7048 300.4912 59.3745 87.1859 555911.6049 -11.8121 -11.7822 PRESSURE: 106000 -306.763 45.2017 51.3417 45.2009 101.841 19.1887 51.3417 19.1861 -58.0478 GPRESSURE: 106000 -333.05 -3.82807 -26.3515 111.653 168.463 -42.5294 61.0345 148.022 13.4272 PRESSAVG: 106000 -17.7838 -21.0828 -6.24077 -21.0828 36.611 66.7194 -6.2407 66.7194 -15.894 GPRESSAVG: 106000 -17.7477 -19.844 -5.09888 -20.2827 36.7978 65.5972 -7.22706 67.0172 -16.1353 TIMING: 106000 CPU: 306.407, 0.00286258/step Wall: 306.407, 0.00286258/step, 3.89152 hours remaining, 205.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 106000 742.0995 2152.2484 1941.1296 117.0770 -206560.4267 17967.2370 0.0000 0.0000 34285.1648 -149355.4704 299.4209 -183640.6352 -149255.7030 299.0751 -87.6566 -50.3865 558808.3611 0.9777 0.9716 PRESSURE: 106200 -332.381 2.96205 -17.9355 2.96203 38.4779 99.9343 -17.9352 99.935 -154.403 GPRESSURE: 106200 -286.787 -62.3864 -47.584 112.67 45.492 73.4128 -66.8142 172.613 -112.148 PRESSAVG: 106200 22.0634 14.0758 -2.08146 14.0757 -24.5232 43.3129 -2.08153 43.3128 25.9552 GPRESSAVG: 106200 22.4518 14.2165 -2.08867 13.9975 -24.3781 43.8684 -3.15724 43.5691 25.3052 TIMING: 106200 CPU: 306.984, 0.00288259/step Wall: 306.984, 0.00288259/step, 3.91856 hours remaining, 205.128906 MB of memory in use. ENERGY: 106200 819.8986 2112.2397 1967.9489 111.2300 -206217.0332 17734.0288 0.0000 0.0000 34112.9819 -149358.7052 297.9172 -183471.6871 -149261.6008 299.3606 -149.4355 -117.8143 557526.3606 7.8318 7.7930 PRESSURE: 106400 -221.484 -42.2945 -48.8218 -42.2957 -197.654 95.3302 -48.8204 95.3316 -130.519 GPRESSURE: 106400 -124.965 -15.9718 -85.6316 -68.332 -140.52 120.831 -16.1192 81.2157 -179.107 PRESSAVG: 106400 -56.2949 25.7064 -33.8798 25.7063 12.7442 -7.11545 -33.8798 -7.11556 37.2654 GPRESSAVG: 106400 -55.3203 26.1794 -36.7877 25.3146 12.4959 -4.55744 -32.4922 -8.59396 36.3218 TIMING: 106400 CPU: 307.559, 0.00287911/step Wall: 307.559, 0.00287911/step, 3.91367 hours remaining, 205.128906 MB of memory in use. ENERGY: 106400 768.5040 2103.8652 1948.4932 122.3288 -206266.0892 17696.3591 0.0000 0.0000 34282.9116 -149343.6272 299.4012 -183626.5388 -149250.4285 298.7095 -183.2187 -148.1974 556363.3486 -2.0951 -2.1675 PRESSURE: 106600 -146.611 90.1619 -67.5305 90.1621 -188.512 7.28792 -67.5307 7.28882 78.6865 GPRESSURE: 106600 -98.9639 125.601 -14.963 32.7415 -187.327 70.271 -82.5949 -73.2222 117.89 PRESSAVG: 106600 39.2951 -5.81178 21.1851 -5.81173 2.28672 45.8914 21.1851 45.8914 5.35352 GPRESSAVG: 106600 39.3678 -7.26777 22.8524 -5.43446 1.94203 43.0953 22.5943 46.6376 5.46658 TIMING: 106600 CPU: 308.137, 0.00288936/step Wall: 308.137, 0.00288936/step, 3.92745 hours remaining, 205.128906 MB of memory in use. ENERGY: 106600 735.3851 2083.7089 1940.0251 118.7377 -205886.7669 17557.6161 0.0000 0.0000 34268.4122 -149182.8820 299.2746 -183451.2941 -149083.2171 299.0738 -85.4788 -56.1334 555824.4479 15.6451 15.5921 PRESSURE: 106800 -126.824 -96.9531 26.3616 -96.9521 -173.355 -42.7719 26.3629 -42.7715 -90.0617 GPRESSURE: 106800 -70.9767 -120.543 74.5873 -60.1405 -177.447 -171.598 51.0212 -0.269149 -60.3809 PRESSAVG: 106800 -26.4682 -15.1969 38.3407 -15.1968 -10.1989 -13.8599 38.3408 -13.8599 37.2829 GPRESSAVG: 106800 -26.3771 -14.9767 38.9303 -15.5578 -11.2174 -12.7819 36.4195 -15.1765 38.0759 TIMING: 106800 CPU: 308.714, 0.00288271/step Wall: 308.714, 0.00288271/step, 3.91824 hours remaining, 205.128906 MB of memory in use. ENERGY: 106800 752.4089 2082.3072 1916.5582 122.7616 -206171.5819 17766.3645 0.0000 0.0000 34281.3653 -149249.8162 299.3877 -183531.1815 -149149.8209 299.3661 -130.0805 -102.9349 557381.3770 0.2052 0.1605 PRESSURE: 107000 -340.337 165.655 -94.3254 165.655 193.295 73.8651 -94.3263 73.8666 96.7642 GPRESSURE: 107000 -277.361 194.947 -116.174 194.931 203.679 44.5383 -106.105 26.5417 112.218 PRESSAVG: 107000 1.39187 8.57628 -0.786154 8.5763 -14.9362 45.0079 -0.786154 45.0078 -3.41824 GPRESSAVG: 107000 0.238673 9.3243 -2.88418 8.97261 -12.8679 46.9136 -0.474832 45.1602 -3.73119 TIMING: 107000 CPU: 309.291, 0.00288404/step Wall: 309.291, 0.00288404/step, 3.91989 hours remaining, 205.128906 MB of memory in use. ENERGY: 107000 725.0205 2057.7522 1954.1849 128.7566 -206033.7210 17697.3305 0.0000 0.0000 34212.5855 -149258.0909 298.7870 -183470.6764 -149162.2012 298.4107 -16.7591 12.8453 555979.1700 -5.6542 -5.4535 PRESSURE: 107200 240.457 -65.6197 78.4599 -65.6195 -231.042 -24.9285 78.461 -24.9286 -86.6338 GPRESSURE: 107200 239.102 -92.8762 39.7707 -117.113 -154.002 -55.9048 98.6874 -24.0017 -59.8733 PRESSAVG: 107200 -11.116 -11.9063 -27.9882 -11.9062 56.2896 -38.1508 -27.9883 -38.1509 -33.2511 GPRESSAVG: 107200 -10.303 -12.9363 -27.3609 -13.4661 54.8863 -38.562 -28.6074 -37.3682 -33.108 TIMING: 107200 CPU: 309.872, 0.00290726/step Wall: 309.872, 0.00290726/step, 3.95129 hours remaining, 205.128906 MB of memory in use. ENERGY: 107200 725.4203 2069.5258 1960.8156 108.6807 -206236.5527 17801.3214 0.0000 0.0000 34365.6904 -149205.0986 300.1241 -183570.7890 -149109.5358 299.6721 -25.7396 8.4088 557774.6754 3.9742 3.8251 PRESSURE: 107400 -227.254 -26.1975 10.6113 -26.1958 -26.5566 -35.2805 10.6116 -35.2818 -216.545 GPRESSURE: 107400 -215.11 -6.08219 13.8412 22.9034 41.863 -1.80648 83.9945 -31.1966 -204.853 PRESSAVG: 107400 -34.267 -12.6344 -7.69651 -12.6343 63.7306 -4.72948 -7.69653 -4.72947 -15.9664 GPRESSAVG: 107400 -34.4977 -12.437 -9.31389 -10.4359 64.8347 -6.63548 -5.83525 -5.21446 -17.0451 TIMING: 107400 CPU: 310.45, 0.00289076/step Wall: 310.45, 0.00289076/step, 3.92871 hours remaining, 205.128906 MB of memory in use. ENERGY: 107400 728.0907 2130.7908 1957.9350 110.7683 -205810.2449 17522.9513 0.0000 0.0000 34091.6357 -149268.0732 297.7307 -183359.7089 -149177.4819 299.5664 -156.7853 -126.0333 558443.5869 4.4991 4.4306 PRESSURE: 107600 -114.864 92.9905 -6.82799 92.9906 -168.107 -233.18 -6.82833 -233.182 81.8236 GPRESSURE: 107600 -25.8829 49.6084 -112.881 29.6954 -168.726 -137.876 -37.4282 -205.382 81.3067 PRESSAVG: 107600 -75.7915 37.9296 -22.4891 37.9296 38.0673 -21.1598 -22.4892 -21.1597 36.4546 GPRESSAVG: 107600 -76.8808 38.4811 -20.8605 36.7978 38.9566 -19.8819 -22.9468 -22.3488 36.8537 TIMING: 107600 CPU: 311.028, 0.00289161/step Wall: 311.028, 0.00289161/step, 3.9297 hours remaining, 205.128906 MB of memory in use. ENERGY: 107600 736.1528 2098.6060 1957.4561 123.6336 -206035.7283 17447.9003 0.0000 0.0000 34379.6188 -149292.3607 300.2458 -183671.9795 -149189.8288 299.5274 -67.0489 -37.7673 558141.7998 -0.4232 -0.3568 PRESSURE: 107800 -72.2283 45.5249 137.053 45.5247 -209.581 -16.4531 137.053 -16.4545 -245.885 GPRESSURE: 107800 -92.481 -9.33829 150.101 -7.38479 -143.024 -69.0994 82.4635 12.5438 -185.748 PRESSAVG: 107800 -84.7615 -9.04057 -22.2091 -9.04054 0.215079 -6.94487 -22.2091 -6.94493 38.192 GPRESSAVG: 107800 -84.1731 -9.29117 -22.4091 -8.14289 -1.79312 -5.94598 -21.7283 -5.53503 39.1332 TIMING: 107800 CPU: 311.605, 0.00288243/step Wall: 311.605, 0.00288243/step, 3.91706 hours remaining, 205.128906 MB of memory in use. ENERGY: 107800 737.9511 2040.4745 1978.2673 110.7167 -205818.2430 17407.3729 0.0000 0.0000 34363.4439 -149180.0167 300.1045 -183543.4606 -149079.5614 299.4979 -175.8980 -140.4177 557173.8973 -15.4515 -15.6110 PRESSURE: 108000 111.32 -11.1188 66.8014 -11.1188 298.555 -37.4523 66.8033 -37.4522 -30.919 GPRESSURE: 108000 123.138 -6.25295 110.294 41.2646 338.507 -5.96241 48.0645 108.708 27.7419 PRESSAVG: 108000 -22.6322 45.143 62.2144 45.143 -12.5375 12.2201 62.2144 12.2202 29.4942 GPRESSAVG: 108000 -23.1337 44.668 62.4911 43.6145 -12.852 11.4467 60.5636 13.834 30.4842 TIMING: 108000 CPU: 312.182, 0.00288397/step Wall: 312.182, 0.00288397/step, 3.919 hours remaining, 205.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 108000 705.1093 2138.7644 1967.3865 113.9842 -206240.2803 17890.9308 0.0000 0.0000 34242.4472 -149181.6578 299.0478 -183424.1050 -149084.8524 299.3301 126.3185 163.1291 556728.5476 -1.8918 -1.8338 PRESSURE: 108200 288.287 153.649 42.2211 153.649 37.9864 -13.6456 42.2216 -13.6456 282.426 GPRESSURE: 108200 279.486 99.8724 63.8584 178.633 84.3452 -31.4694 72.2383 -79.1215 342.813 PRESSAVG: 108200 3.22883 14.083 -4.73305 14.083 -2.4105 36.5802 -4.73313 36.5804 67.8238 GPRESSAVG: 108200 3.36396 14.5274 -4.70993 13.8992 -1.80879 35.3767 -3.78222 34.9339 67.2577 TIMING: 108200 CPU: 312.754, 0.00285959/step Wall: 312.754, 0.00285959/step, 3.8857 hours remaining, 205.128906 MB of memory in use. ENERGY: 108200 752.1938 2100.2683 1940.2386 111.0386 -206766.0856 18163.3088 0.0000 0.0000 34361.0764 -149337.9610 300.0838 -183699.0375 -149239.9430 299.2015 202.8998 235.5481 555485.2415 22.8807 22.9376 LDB: ============= START OF LOAD BALANCING ============== 316.138 LDB: ============== END OF LOAD BALANCING =============== 316.138 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 316.14 LDB: ============= START OF LOAD BALANCING ============== 316.428 LDB: Largest compute 4801 load 0.023865 is 20.3% of average load 0.117812 LDB: Average compute 0.001711 is 1.5% of average load 0.117812 LDB: TIME 316.43 LOAD: AVG 0.117812 MAX 0.179235 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.641 MB LDB: TIME 316.43 LOAD: AVG 0.117812 MAX 0.179235 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.641 MB LDB: TIME 316.43 LOAD: AVG 0.117812 MAX 0.179235 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.641 MB LDB: ============== END OF LOAD BALANCING =============== 316.432 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 316.436 PRESSURE: 108400 -71.5606 -152.524 30.2352 -152.524 -17.7889 -65.2398 30.2361 -65.2412 -3.9775 GPRESSURE: 108400 -20.4752 -210.28 -30.6058 -157.282 -27.1124 -164.224 69.4595 -111.494 38.4857 PRESSAVG: 108400 -53.3539 -27.4532 18.1697 -27.4532 28.5353 16.8048 18.1697 16.8047 11.7692 GPRESSAVG: 108400 -53.006 -27.2324 17.135 -28.0363 26.6756 17.7334 16.4764 15.7039 12.5594 TIMING: 108400 CPU: 313.341, 0.00293522/step Wall: 313.341, 0.00293522/step, 3.98831 hours remaining, 206.328125 MB of memory in use. ENERGY: 108400 742.9196 2086.0374 1947.2526 101.2672 -206044.0290 17719.7154 0.0000 0.0000 34150.8284 -149296.0083 298.2477 -183446.8368 -149193.7830 298.9407 -31.1090 -3.0340 556055.6393 -4.3498 -4.5903 PRESSURE: 108600 -327.346 94.2427 6.54864 94.2427 -238.079 43.7542 6.54874 43.7536 53.6684 GPRESSURE: 108600 -284.888 104.768 37.3474 121.729 -205.832 23.9227 -41.9697 44.5307 62.7192 PRESSAVG: 108600 3.53261 -44.7115 -14.0551 -44.7115 -34.4127 -11.2921 -14.0551 -11.2921 -4.32992 GPRESSAVG: 108600 2.4979 -46.5942 -15.0969 -42.7867 -33.0375 -9.64543 -10.833 -11.7406 -4.85945 TIMING: 108600 CPU: 313.921, 0.00290299/step Wall: 313.921, 0.00290299/step, 3.94436 hours remaining, 206.394531 MB of memory in use. ENERGY: 108600 740.7476 2052.4990 1970.9876 121.8622 -205986.3734 17539.2832 0.0000 0.0000 34340.6869 -149220.3068 299.9058 -183560.9937 -149120.6361 299.5634 -170.5855 -142.6669 557775.1570 -11.7367 -11.7997 PRESSURE: 108800 61.4747 11.7687 -8.92689 11.7693 -129.506 -147.342 -8.92719 -147.342 147.294 GPRESSURE: 108800 43.8125 -47.6743 -16.4687 41.1775 -44.2689 -120.218 -5.52289 -80.2927 181.263 PRESSAVG: 108800 41.8657 14.8837 11.2999 14.8838 -64.0304 -15.5404 11.3 -15.5404 42.4577 GPRESSAVG: 108800 42.2995 15.8978 12.7095 13.8419 -63.5407 -19.395 10.9134 -14.9967 41.6889 TIMING: 108800 CPU: 314.5, 0.00289404/step Wall: 314.5, 0.00289404/step, 3.93203 hours remaining, 206.394531 MB of memory in use. ENERGY: 108800 733.5976 2108.3421 1921.6754 110.0800 -206159.5128 17758.0331 0.0000 0.0000 34336.9682 -149190.8163 299.8733 -183527.7846 -149095.1698 299.1815 26.4210 60.2690 555646.7730 6.7643 6.8159 PRESSURE: 109000 132.337 62.7622 40.567 62.7618 124.645 -18.3603 40.5644 -18.3597 -91.2922 GPRESSURE: 109000 177.21 30.5652 33.339 45.0089 127.799 -28.046 -29.3842 -40.8155 -51.006 PRESSAVG: 109000 -1.9635 -0.743853 77.7329 -0.743848 -62.479 -21.3024 77.7329 -21.3024 73.7475 GPRESSAVG: 109000 -1.64026 0.240271 78.6334 -1.94832 -63.3729 -19.6657 76.0581 -20.7982 74.3047 TIMING: 109000 CPU: 315.078, 0.0028918/step Wall: 315.078, 0.0028918/step, 3.92883 hours remaining, 206.394531 MB of memory in use. ENERGY: 109000 742.1979 2129.7474 1957.6856 127.5657 -206434.1990 17860.8378 0.0000 0.0000 34343.3470 -149272.8176 299.9290 -183616.1645 -149169.9027 299.8704 55.2301 84.6676 556451.8523 3.1017 3.0972 PRESSURE: 109200 -241.418 251.404 -106.586 251.402 -123.008 -126.924 -106.586 -126.923 -113.672 GPRESSURE: 109200 -249.951 185.235 -81.6328 287.735 -56.5492 -14.0058 -143.6 -184.155 -74.325 PRESSAVG: 109200 20.6764 -1.3909 10.8025 -1.39104 -36.532 3.37626 10.8026 3.37634 9.21009 GPRESSAVG: 109200 20.1861 -3.01043 9.81642 0.0236985 -35.1166 3.56601 10.4724 2.84759 8.32945 TIMING: 109200 CPU: 315.655, 0.00288019/step Wall: 315.655, 0.00288019/step, 3.9129 hours remaining, 206.394531 MB of memory in use. ENERGY: 109200 752.3724 2108.9236 1969.8717 120.0348 -205921.5467 17397.1521 0.0000 0.0000 34290.4120 -149282.7800 299.4667 -183573.1921 -149184.7427 299.6759 -159.3659 -126.9416 557882.5363 -2.2152 -2.2004 PRESSURE: 109400 -22.4845 -5.49375 72.3816 -5.49397 -169.037 47.0374 72.3825 47.0379 -205.209 GPRESSURE: 109400 -19.1633 -18.0541 3.27448 -27.1636 -160.777 83.4381 15.9712 39.074 -127.926 PRESSAVG: 109400 -32.5335 19.3325 -36.1478 19.3325 23.7166 -29.7522 -36.1478 -29.7522 28.3745 GPRESSAVG: 109400 -32.4743 20.9413 -36.3021 19.5162 22.5772 -31.9888 -33.8162 -28.9956 29.5434 TIMING: 109400 CPU: 316.234, 0.00289763/step Wall: 316.234, 0.00289763/step, 3.93643 hours remaining, 206.394531 MB of memory in use. ENERGY: 109400 751.4963 2090.2654 1966.1288 116.9387 -206118.7076 17668.1762 0.0000 0.0000 34349.6270 -149176.0753 299.9838 -183525.7023 -149080.4712 299.1991 -132.2436 -102.6219 558667.4906 6.5192 6.5488 PRESSURE: 109600 149.039 84.03 -16.2219 84.0292 -44.6793 108.477 -16.2232 108.476 -47.8963 GPRESSURE: 109600 183.494 -13.4961 -33.8251 111.658 7.43681 82.3486 30.8393 135.681 -44.304 PRESSAVG: 109600 53.6262 57.2963 51.9016 57.2963 -79.5886 -48.7912 51.9016 -48.7912 18.902 GPRESSAVG: 109600 54.429 56.0381 52.0527 55.883 -79.395 -47.6713 50.8346 -48.7295 18.0517 TIMING: 109600 CPU: 316.812, 0.00288873/step Wall: 316.812, 0.00288873/step, 3.92417 hours remaining, 206.449219 MB of memory in use. ENERGY: 109600 742.8429 2142.6535 1961.7594 125.2922 -206118.6226 17916.1335 0.0000 0.0000 34044.2814 -149185.6599 297.3172 -183229.9412 -149087.8020 299.3859 18.8213 48.8756 558616.7580 -2.3535 -2.3047 PRESSURE: 109800 227.56 -246.758 -148.136 -246.759 -83.3384 107.934 -148.135 107.933 -79.3025 GPRESSURE: 109800 271.02 -225.145 -197.495 -200.779 -9.27504 167.354 -80.5644 99.1213 -87.5698 PRESSAVG: 109800 -5.7497 -25.6837 -19.6144 -25.6837 -18.4562 69.0792 -19.6143 69.0792 51.6762 GPRESSAVG: 109800 -5.07536 -23.8337 -18.2258 -25.6416 -19.1952 69.3121 -20.063 67.1944 52.0973 TIMING: 109800 CPU: 317.389, 0.00288468/step Wall: 317.389, 0.00288468/step, 3.91852 hours remaining, 206.449219 MB of memory in use. ENERGY: 109800 773.4436 2140.1006 1915.6728 118.3226 -206571.1589 18033.8966 0.0000 0.0000 34338.7364 -149250.9862 299.8887 -183589.7226 -149151.5439 299.0567 21.6397 58.0582 557192.4992 9.1568 9.2756 PRESSURE: 110000 -190.86 -1.79767 77.0163 -1.79869 -145.341 -12.276 77.0173 -12.2758 -246.399 GPRESSURE: 110000 -99.5099 -88.9415 54.9485 -60.6208 -125.724 -15.1205 77.1501 -6.55534 -263.939 PRESSAVG: 110000 -52.3638 -17.567 17.8357 -17.567 -16.6882 35.4185 17.8357 35.4186 41.5277 GPRESSAVG: 110000 -54.6172 -17.5612 15.8223 -17.1642 -14.7053 36.5969 19.1069 36.3925 42.0998 TIMING: 110000 CPU: 317.967, 0.00288986/step Wall: 317.967, 0.00288986/step, 3.9254 hours remaining, 206.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 110000 772.2178 2098.0823 1954.9536 128.6307 -205988.4411 17624.9634 0.0000 0.0000 34140.7217 -149268.8717 298.1594 -183409.5934 -149180.0383 299.6869 -194.1999 -163.0577 559110.9218 -9.1748 -9.0743 PRESSURE: 110200 13.9077 -19.7969 47.3952 -19.7968 90.4488 -38.6941 47.3935 -38.6945 97.9748 GPRESSURE: 110200 40.2066 -49.5154 -10.813 -48.9476 161.07 -33.2391 29.2568 -2.36026 89.1067 PRESSAVG: 110200 -37.62 -48.9043 21.2691 -48.9043 61.8665 -27.7354 21.2692 -27.7355 -10.4929 GPRESSAVG: 110200 -36.4867 -49.9176 21.4947 -49.2314 60.9161 -27.9525 20.7877 -28.7846 -11.4543 TIMING: 110200 CPU: 318.543, 0.00288156/step Wall: 318.543, 0.00288156/step, 3.91396 hours remaining, 206.449219 MB of memory in use. ENERGY: 110200 724.7390 2088.8529 1958.4682 116.4355 -206243.0094 17870.1944 0.0000 0.0000 34369.7883 -149114.5310 300.1599 -183484.3193 -149008.6310 299.6211 67.4438 96.7946 557953.4417 4.5845 4.3250 PRESSURE: 110400 18.7926 39.1518 -8.57772 39.1523 -262.363 149.1 -8.5758 149.099 41.8793 GPRESSURE: 110400 53.1356 15.6515 -112.512 18.088 -259.998 176.739 24.0566 195.267 96.6146 PRESSAVG: 110400 10.4808 19.8535 33.5856 19.8535 7.04457 13.7286 33.5856 13.7286 -3.82293 GPRESSAVG: 110400 9.76519 22.0023 33.3758 19.4646 6.59948 12.5243 31.6594 15.4279 -2.98309 TIMING: 110400 CPU: 319.119, 0.00288201/step Wall: 319.119, 0.00288201/step, 3.91441 hours remaining, 206.449219 MB of memory in use. ENERGY: 110400 762.8091 2167.0670 1946.9965 113.2218 -206166.8111 17686.4027 0.0000 0.0000 34446.9444 -149043.3695 300.8337 -183490.3139 -148943.6929 300.3576 -67.2305 -36.7492 556972.1847 4.5675 4.4605 PRESSURE: 110600 -46.8191 -132.193 106.463 -132.192 -41.0606 -180.225 106.463 -180.224 105.252 GPRESSURE: 110600 -43.5657 -124.889 128.136 -184.598 -47.8624 -152.47 161.047 -139.611 197.253 PRESSAVG: 110600 2.17071 -56.602 12.7284 -56.602 -10.4988 -7.49975 12.7285 -7.49976 -17.2661 GPRESSAVG: 110600 3.90055 -58.6204 14.4571 -56.3508 -10.343 -5.40593 12.663 -12.4359 -18.8262 TIMING: 110600 CPU: 319.693, 0.00286935/step Wall: 319.693, 0.00286935/step, 3.89705 hours remaining, 206.449219 MB of memory in use. ENERGY: 110600 774.7070 2125.2803 1973.2046 121.2581 -206142.4827 17839.9968 0.0000 0.0000 34244.8291 -149063.2068 299.0686 -183308.0360 -148970.6621 299.8881 5.7908 35.2750 557085.1787 -8.5314 -8.4229 PRESSURE: 110800 -149.653 -56.9126 186.87 -56.9129 -27.7912 -74.143 186.869 -74.1416 74.7789 GPRESSURE: 110800 -81.6076 -24.6465 281.774 -174.389 -7.84852 -212.312 133.449 -15.6469 91.7385 PRESSAVG: 110800 7.32604 -39.0767 36.7161 -39.0766 5.52009 -31.5452 36.7161 -31.5453 -45.3279 GPRESSAVG: 110800 5.76959 -40.3995 36.0977 -37.8448 5.66582 -34.4128 36.3646 -27.7533 -43.8194 TIMING: 110800 CPU: 320.267, 0.00286649/step Wall: 320.267, 0.00286649/step, 3.89301 hours remaining, 206.449219 MB of memory in use. ENERGY: 110800 779.6230 2089.8351 1944.6387 123.9519 -206278.0242 17780.9238 0.0000 0.0000 34387.4720 -149171.5796 300.3143 -183559.0517 -149076.1135 300.2664 -34.2216 0.7608 557797.0233 -10.8273 -10.7947 PRESSURE: 111000 11.5391 -146.566 -59.2564 -146.566 -23.9471 32.2239 -59.2568 32.2241 -60.4452 GPRESSURE: 111000 26.058 -179.621 -30.1933 -138.804 44.5621 102.184 -55.9764 -28.3874 -46.5172 PRESSAVG: 111000 -30.9521 -44.2952 -10.5588 -44.2953 89.1431 8.00136 -10.5587 8.00139 -24.5548 GPRESSAVG: 111000 -30.8862 -41.1452 -10.6089 -46.3981 90.2877 9.63228 -8.29513 4.89218 -25.3099 TIMING: 111000 CPU: 320.844, 0.00288486/step Wall: 320.844, 0.00288486/step, 3.91781 hours remaining, 206.449219 MB of memory in use. ENERGY: 111000 728.6764 2101.9851 1923.8892 116.8542 -206160.3095 17791.3317 0.0000 0.0000 34398.3026 -149099.2704 300.4089 -183497.5730 -149000.6096 299.6889 -24.2844 8.0343 557370.8962 11.2121 11.3639 PRESSURE: 111200 30.1332 -246.886 -3.93182 -246.885 72.3457 -23.4769 -3.9321 -23.4762 -356.528 GPRESSURE: 111200 63.4671 -219.346 13.05 -298.328 86.9954 -23.8647 24.7225 -18.1092 -306 PRESSAVG: 111200 -39.3767 -15.9528 -18.4423 -15.9527 26.0304 91.3306 -18.4424 91.3305 -3.1818 GPRESSAVG: 111200 -39.2103 -17.8047 -19.1515 -15.2509 24.1566 90.7962 -17.829 93.7079 -1.134 TIMING: 111200 CPU: 321.417, 0.00286655/step Wall: 321.417, 0.00286655/step, 3.89277 hours remaining, 206.449219 MB of memory in use. ENERGY: 111200 783.6497 2095.1462 1918.6582 110.9109 -206066.5314 17752.1839 0.0000 0.0000 34285.9404 -149120.0422 299.4276 -183405.9826 -149027.4577 299.6732 -84.6831 -51.8457 557658.4750 -5.5094 -5.3959 PRESSURE: 111400 -50.888 78.2097 -45.557 78.21 408.942 233.243 -45.5576 233.243 -27.8456 GPRESSURE: 111400 -21.9975 128.947 -27.4842 -12.4624 406.77 192.293 -40.9341 163.82 22.0544 PRESSAVG: 111400 -35.7808 -24.0034 -82.7525 -24.0034 132.684 55.4784 -82.7526 55.4785 -64.6505 GPRESSAVG: 111400 -35.3301 -22.542 -81.4969 -25.0094 133.239 55.2427 -82.9316 54.9075 -65.972 TIMING: 111400 CPU: 321.996, 0.00289674/step Wall: 321.996, 0.00289674/step, 3.93362 hours remaining, 206.449219 MB of memory in use. ENERGY: 111400 764.7132 2115.1811 1914.0869 119.6505 -206142.1003 17796.5404 0.0000 0.0000 34197.7759 -149234.1523 298.6577 -183431.9282 -149139.3071 299.6792 110.0694 135.6091 556677.2900 10.7510 10.6458 PRESSURE: 111600 -129.995 83.81 66.1069 83.8099 151.389 -15.2867 66.1077 -15.2857 180.031 GPRESSURE: 111600 -50.8828 56.6249 3.03638 111.799 125.845 24.3677 20.2649 -2.47006 223.465 PRESSAVG: 111600 -29.3151 56.6656 -59.9711 56.6656 17.4518 -39.5401 -59.971 -39.5401 3.13241 GPRESSAVG: 111600 -30.1929 56.247 -59.5497 57.8969 17.7087 -39.958 -60.5092 -37.4186 3.28097 TIMING: 111600 CPU: 322.572, 0.00287686/step Wall: 322.572, 0.00287686/step, 3.90646 hours remaining, 206.449219 MB of memory in use. ENERGY: 111600 780.9081 2113.9669 1949.9091 113.1733 -206638.3825 17942.9269 0.0000 0.0000 34322.6484 -149414.8498 299.7482 -183737.4982 -149326.0340 299.7378 67.1419 99.4758 557246.3335 -2.9103 -3.0677 PRESSURE: 111800 1.29501 -96.9712 -130.482 -96.9729 -104.999 83.7638 -130.481 83.7651 10.7548 GPRESSURE: 111800 10.7612 -109.379 -93.9254 -43.197 -72.6109 170.818 -104.122 106.709 68.7048 PRESSAVG: 111800 -14.2862 33.7471 -27.1621 33.7472 56.9912 -61.3318 -27.162 -61.3317 -18.5946 GPRESSAVG: 111800 -14.5981 33.4594 -26.2307 31.6113 57.8829 -60.1327 -27.8489 -62.2577 -18.6187 TIMING: 111800 CPU: 323.146, 0.00287334/step Wall: 323.146, 0.00287334/step, 3.90152 hours remaining, 206.449219 MB of memory in use. ENERGY: 111800 770.2577 2110.7498 1950.2012 105.5654 -206356.1568 17719.7513 0.0000 0.0000 34172.3380 -149527.2935 298.4355 -183699.6314 -149430.5743 299.1099 -30.9829 2.2850 556136.5159 8.0368 8.2220 PRESSURE: 112000 -71.5252 56.2291 -179.793 56.2281 -136.739 111.669 -179.794 111.671 96.3797 GPRESSURE: 112000 -103.175 154.71 -152.004 -26.5107 -18.2668 79.4937 -140.089 183.075 102.23 PRESSAVG: 112000 -66.9033 0.360103 -47.8362 0.360013 -26.5612 27.5558 -47.8362 27.5558 73.9389 GPRESSAVG: 112000 -67.2211 1.19213 -48.3356 2.10182 -27.8057 28.5752 -47.4663 24.7638 75.2471 TIMING: 112000 CPU: 323.72, 0.00286838/step Wall: 323.72, 0.00286838/step, 3.89462 hours remaining, 206.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 112000 753.7323 2080.0267 1933.8566 112.4678 -206552.6771 17883.4668 0.0000 0.0000 34180.6741 -149608.4529 298.5083 -183789.1270 -149506.6044 298.5271 -37.2950 -6.4040 556746.7408 -6.5085 -6.5932 PRESSURE: 112200 -94.13 15.6023 20.4445 15.6023 49.1226 166.459 20.4449 166.459 214.241 GPRESSURE: 112200 -45.7189 110.083 -17.8432 -110.488 138.038 156.254 75.6096 134.718 173.618 PRESSAVG: 112200 -16.3569 -30.9462 3.39411 -30.9462 16.2383 74.877 3.39416 74.877 -15.7478 GPRESSAVG: 112200 -14.557 -29.8103 4.74725 -31.0972 16.1156 74.0232 3.45385 76.3201 -17.471 TIMING: 112200 CPU: 324.297, 0.00288701/step Wall: 324.297, 0.00288701/step, 3.91976 hours remaining, 206.449219 MB of memory in use. ENERGY: 112200 722.7978 2103.2551 1953.2468 114.9635 -206614.1455 17903.6679 0.0000 0.0000 34226.7934 -149589.4209 298.9111 -183816.2143 -149498.4596 298.7164 56.4113 88.6457 556706.3561 -5.2888 -5.3042 LDB: ============= START OF LOAD BALANCING ============== 327.684 LDB: ============== END OF LOAD BALANCING =============== 327.684 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 327.685 LDB: ============= START OF LOAD BALANCING ============== 327.976 LDB: Largest compute 4820 load 0.023105 is 19.6% of average load 0.117865 LDB: Average compute 0.001716 is 1.5% of average load 0.117865 LDB: TIME 327.978 LOAD: AVG 0.117865 MAX 0.179553 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.75 MB LDB: TIME 327.979 LOAD: AVG 0.117865 MAX 0.179553 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.82 MB LDB: TIME 327.979 LOAD: AVG 0.117865 MAX 0.179553 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 327.981 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 327.985 PRESSURE: 112400 6.75172 -89.2467 -63.9065 -89.2477 -152.142 52.1528 -63.9072 52.1517 -168.758 GPRESSURE: 112400 72.684 1.76477 -31.012 -81.3175 -182.945 73.537 -72.2984 16.3909 -101.401 PRESSAVG: 112400 15.302 -13.4586 -9.02228 -13.4586 37.1726 75.3403 -9.0223 75.3404 -33.3192 GPRESSAVG: 112400 14.0044 -14.5432 -10.7487 -13.1577 39.7672 75.7812 -7.7648 74.2186 -33.6952 TIMING: 112400 CPU: 324.89, 0.00296112/step Wall: 324.89, 0.00296112/step, 4.02021 hours remaining, 204.199219 MB of memory in use. ENERGY: 112400 769.1336 2088.5888 1962.4400 113.6722 -206294.6356 17665.7411 0.0000 0.0000 34320.5523 -149374.5077 299.7299 -183695.0600 -149279.0253 298.8797 -104.7160 -70.5541 556386.2142 6.3851 6.6921 PRESSURE: 112600 -87.6984 56.3622 22.2762 56.3633 -39.9731 -100.038 22.2755 -100.037 37.58 GPRESSURE: 112600 -83.3467 -11.7721 -6.21075 139.728 -6.8654 -80.4241 -47.0648 -41.0721 106.22 PRESSAVG: 112600 -44.7951 -73.9374 22.1026 -73.9374 -10.505 -1.80481 22.1026 -1.80481 -13.0739 GPRESSAVG: 112600 -45.276 -74.3629 23.3394 -71.3449 -11.3208 -2.30667 19.8853 -0.830128 -11.601 TIMING: 112600 CPU: 325.466, 0.00288201/step Wall: 325.466, 0.00288201/step, 3.91265 hours remaining, 204.402344 MB of memory in use. ENERGY: 112600 720.4245 2124.5646 1946.5059 116.4477 -206100.1506 17781.8118 0.0000 0.0000 34204.8151 -149205.5811 298.7192 -183410.3961 -149103.6798 299.7222 -30.0305 5.3360 557171.5234 -22.7913 -22.7326 PRESSURE: 112800 -81.6367 -0.714902 -65.9257 -0.715856 75.3362 -370.392 -65.9267 -370.392 232.617 GPRESSURE: 112800 14.5741 -39.4797 -39.5694 25.4044 83.1618 -298.736 -127.584 -265.399 214.264 PRESSAVG: 112800 1.44499 24.9181 -57.4183 24.9181 37.1387 -18.8947 -57.4184 -18.8947 2.60594 GPRESSAVG: 112800 2.27045 23.926 -60.3349 24.9199 36.5656 -18.4957 -54.2621 -19.0972 2.43384 TIMING: 112800 CPU: 326.037, 0.00285752/step Wall: 326.037, 0.00285752/step, 3.87924 hours remaining, 204.402344 MB of memory in use. ENERGY: 112800 784.1666 2162.1690 1912.7144 107.9969 -206412.3425 17884.3353 0.0000 0.0000 34192.6118 -149368.3484 298.6126 -183560.9602 -149268.7674 299.2460 75.4387 104.0000 556253.3562 13.7299 13.7566 PRESSURE: 113000 -96.7531 140.407 39.1898 140.408 -41.0588 -17.8582 39.1891 -17.8582 4.66796 GPRESSURE: 113000 -56.7217 80.0155 -12.3802 35.3116 -18.7483 9.93283 132.621 -33.5167 45.5868 PRESSAVG: 113000 -56.3529 17.662 -43.5209 17.662 27.3087 -44.3236 -43.521 -44.3236 111.259 GPRESSAVG: 113000 -56.8519 18.3987 -40.8386 15.0215 27.1725 -47.1483 -44.9074 -42.8359 111.764 TIMING: 113000 CPU: 326.609, 0.0028579/step Wall: 326.609, 0.0028579/step, 3.8796 hours remaining, 204.402344 MB of memory in use. ENERGY: 113000 768.1253 2142.4963 1948.0371 106.9118 -206560.1507 17866.8027 0.0000 0.0000 34328.7793 -149398.9982 299.8018 -183727.7774 -149301.8742 298.8721 -44.3813 -9.9611 555773.0063 27.4051 27.3615 PRESSURE: 113200 77.4585 61.0028 -106.783 61.0034 -195.185 -23.981 -106.783 -23.9797 -217.266 GPRESSURE: 113200 74.7886 29.7238 -47.9689 54.6235 -159.705 32.2255 -86.7713 -106.244 -140.219 PRESSAVG: 113200 -66.9654 -76.9944 14.8747 -76.9944 92.2065 -40.7394 14.8747 -40.7392 -7.0092 GPRESSAVG: 113200 -66.3971 -77.5195 14.0092 -74.5773 92.5415 -39.3413 15.2571 -42.0624 -7.34174 TIMING: 113200 CPU: 327.188, 0.00289573/step Wall: 327.188, 0.00289573/step, 3.93079 hours remaining, 204.402344 MB of memory in use. ENERGY: 113200 796.3081 2061.1451 1929.7453 113.1605 -206137.2164 17649.1889 0.0000 0.0000 34280.9954 -149306.6731 299.3845 -183587.6685 -149203.2520 299.3482 -111.6641 -75.0452 556168.8793 6.0773 6.2676 PRESSURE: 113400 -159.686 -10.2077 -32.6533 -10.2078 282.943 -11.4745 -32.6537 -11.4746 184.833 GPRESSURE: 113400 -92.6233 50.7665 -50.9996 -38.4802 280.728 -77.4307 -124.143 -32.2687 221.734 PRESSAVG: 113400 -37.2367 -14.6162 -42.3101 -14.6163 82.4369 -16.4261 -42.3101 -16.426 -13.6051 GPRESSAVG: 113400 -38.3635 -13.483 -43.8997 -16.8554 82.5372 -16.2272 -42.5821 -16.184 -13.2193 TIMING: 113400 CPU: 327.768, 0.00289738/step Wall: 327.768, 0.00289738/step, 3.93288 hours remaining, 204.457031 MB of memory in use. ENERGY: 113400 773.4729 2139.0490 1939.7765 116.1701 -206539.5167 18047.8341 0.0000 0.0000 34415.3899 -149107.8241 300.5582 -183523.2140 -149009.0955 300.1273 102.6966 136.6129 555113.9606 10.5317 10.3181 PRESSURE: 113600 316.373 69.2296 101.129 69.2288 -424.306 29.4537 101.129 29.4545 -257.982 GPRESSURE: 113600 346.191 12.3376 49.9642 151.168 -360.109 55.6578 162.27 -1.71691 -249.992 PRESSAVG: 113600 28.3307 3.9404 2.40321 3.94039 -1.46948 -50.063 2.40318 -50.063 -6.93236 GPRESSAVG: 113600 27.8989 2.9204 3.28159 5.89147 -0.642787 -51.1818 2.95257 -49.0711 -7.52674 TIMING: 113600 CPU: 328.347, 0.00289576/step Wall: 328.347, 0.00289576/step, 3.93051 hours remaining, 204.457031 MB of memory in use. ENERGY: 113600 755.2977 2084.7116 1945.7762 114.8413 -206196.9913 17520.2287 0.0000 0.0000 34600.4220 -149175.7138 302.1741 -183776.1358 -149078.7831 299.9602 -121.9716 -87.9701 556410.4274 6.6429 6.5764 PRESSURE: 113800 -123.064 -74.6796 -65.077 -74.6785 154.218 -44.2444 -65.0773 -44.2444 -133.439 GPRESSURE: 113800 -76.2637 -107.687 -112.99 -92.47 170.781 -96.1208 -26.688 -2.0433 -97.8759 PRESSAVG: 113800 -37.701 -37.7973 -40.1839 -37.7972 68.3906 -0.197774 -40.1839 -0.197678 -0.230913 GPRESSAVG: 113800 -36.9432 -35.8347 -40.3188 -39.4535 66.819 1.40685 -39.1304 0.0673575 0.067236 TIMING: 113800 CPU: 328.926, 0.0028968/step Wall: 328.926, 0.0028968/step, 3.93176 hours remaining, 204.457031 MB of memory in use. ENERGY: 113800 758.1406 2103.4361 1941.6848 118.6105 -206207.8192 17834.6220 0.0000 0.0000 34256.5445 -149194.7807 299.1709 -183451.3252 -149101.8406 299.5688 -34.0950 -1.1195 557317.9436 10.1529 9.9810 PRESSURE: 114000 -41.5274 67.2746 67.4199 67.2746 13.4277 -106.898 67.4198 -106.897 -55.2979 GPRESSURE: 114000 -2.71499 41.3978 30.4696 58.5901 73.7542 -60.8051 -38.7792 -81.0203 -51.4982 PRESSAVG: 114000 -19.0474 -45.5667 -32.8807 -45.5668 16.4431 38.3164 -32.8806 38.3165 -43.3322 GPRESSAVG: 114000 -18.8222 -47.1745 -31.0742 -44.4182 17.2259 36.5055 -36.2666 38.1064 -43.4665 TIMING: 114000 CPU: 329.5, 0.00287109/step Wall: 329.5, 0.00287109/step, 3.8967 hours remaining, 204.457031 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: 114000 749.7099 2092.1965 1934.1125 112.3147 -205562.7242 17472.2962 0.0000 0.0000 34042.2014 -149159.8929 297.2990 -183202.0943 -149059.4858 299.3004 -27.7992 6.5137 558279.7949 -15.3122 -15.0209 PRESSURE: 114200 -43.8638 111.344 81.9391 111.345 -67.6568 43.5998 81.9397 43.6007 -80.9834 GPRESSURE: 114200 -32.4714 63.4323 44.1131 97.8952 -41.0773 -31.1152 126.045 49.2536 -29.7435 PRESSAVG: 114200 -0.246351 5.00513 -3.84824 5.00509 -3.02147 26.9933 -3.84838 26.9932 22.8764 GPRESSAVG: 114200 0.157143 5.85409 -5.19613 3.74106 -2.83523 27.4006 -3.48195 25.4792 22.2925 TIMING: 114200 CPU: 330.075, 0.00287266/step Wall: 330.075, 0.00287266/step, 3.89868 hours remaining, 204.457031 MB of memory in use. ENERGY: 114200 739.1162 2108.9221 1940.9067 102.8007 -206196.2748 17636.2010 0.0000 0.0000 34383.5248 -149284.8033 300.2799 -183668.3281 -149187.6201 299.0848 -64.1680 -34.4307 555631.9217 6.5362 6.5381 PRESSURE: 114400 48.0349 -68.0338 44.1287 -68.0337 25.2926 4.91689 44.1305 4.91822 -67.4872 GPRESSURE: 114400 21.1165 -141.78 63.7395 -147.074 67.6582 11.3454 80.5213 -60.594 11.4552 PRESSAVG: 114400 22.5363 0.931885 46.1867 0.931776 0.0587756 18.0207 46.1867 18.0207 11.1418 GPRESSAVG: 114400 21.9031 1.23613 45.9266 0.304536 -0.205417 19.8012 47.1233 18.2271 11.9557 TIMING: 114400 CPU: 330.648, 0.00286618/step Wall: 330.648, 0.00286618/step, 3.88973 hours remaining, 204.457031 MB of memory in use. ENERGY: 114400 769.1468 2136.7487 1964.7350 102.2307 -206096.4802 17763.1845 0.0000 0.0000 34019.9203 -149340.5143 297.1044 -183360.4346 -149242.0753 298.6501 1.9468 33.4100 557339.6823 11.2456 11.2178 PRESSURE: 114600 166.766 -143.351 20.7542 -143.353 -39.8281 27.3792 20.7544 27.3795 165.659 GPRESSURE: 114600 226.318 -157.891 19.5185 -190.727 -16.5198 0.167016 4.14491 -28.4816 167.588 PRESSAVG: 114600 2.43492 -6.28965 -5.50038 -6.28973 -13.948 11.2935 -5.50045 11.2935 -8.9271 GPRESSAVG: 114600 3.26559 -7.89853 -5.85501 -4.96162 -14.6926 9.54102 -5.17936 12.4642 -9.4305 TIMING: 114600 CPU: 331.223, 0.00287361/step Wall: 331.223, 0.00287361/step, 3.89965 hours remaining, 204.457031 MB of memory in use. ENERGY: 114600 757.1900 2123.3003 1927.7314 115.1710 -206369.4321 17934.5270 0.0000 0.0000 34288.4312 -149223.0812 299.4494 -183511.5124 -149128.8569 298.6912 97.5324 125.7954 556255.4609 -6.8134 -6.9525 PRESSURE: 114800 -241.959 19.6712 144.863 19.6704 -168.696 14.3813 144.863 14.3825 300.878 GPRESSURE: 114800 -204.646 -25.0611 117.859 73.8995 -128.813 39.9188 154.722 -24.8859 325.331 PRESSAVG: 114800 52.3623 -28.2252 36.8941 -28.2253 -13.9335 -4.49664 36.894 -4.49654 -27.188 GPRESSAVG: 114800 51.201 -27.0869 37.6594 -25.6012 -13.6262 -3.77699 35.8532 -5.44686 -26.5978 TIMING: 114800 CPU: 331.806, 0.0029134/step Wall: 331.806, 0.0029134/step, 3.95348 hours remaining, 204.457031 MB of memory in use. ENERGY: 114800 735.9559 2141.3138 1935.6007 97.7307 -206050.8222 17580.8509 0.0000 0.0000 34298.2936 -149261.0766 299.5355 -183559.3702 -149167.6628 299.9220 -36.5924 -2.7093 554159.2429 3.7469 3.6590 PRESSURE: 115000 79.1834 -24.9683 -55.6403 -24.9692 62.739 0.0953161 -55.6395 0.0927149 -78.4507 GPRESSURE: 115000 69.0036 -8.31418 -24.7674 -36.2593 36.9105 -92.4943 24.2213 63.8285 56.2532 PRESSAVG: 115000 10.8961 -78.7226 3.0842 -78.7226 15.0854 30.2253 3.08424 30.2253 -46.9351 GPRESSAVG: 115000 11.2293 -80.2492 4.17456 -80.9734 14.7568 28.5618 2.5626 30.7869 -47.1927 TIMING: 115000 CPU: 332.388, 0.00291415/step Wall: 332.388, 0.00291415/step, 3.95433 hours remaining, 204.457031 MB of memory in use. ENERGY: 115000 734.6284 2066.4568 1951.5035 103.9379 -206119.1314 17831.6178 0.0000 0.0000 34229.9390 -149201.0481 298.9386 -183430.9871 -149112.4216 299.7445 21.1573 54.0558 556317.7446 -6.9845 -7.0688 PRESSURE: 115200 -78.3174 41.821 -2.1056 41.8224 -30.2886 -37.0916 -2.10634 -37.0928 13.1743 GPRESSURE: 115200 -62.0251 -102.118 -30.3851 52.0357 28.25 -80.8112 8.93497 67.5315 43.1288 PRESSAVG: 115200 -1.93069 41.9942 9.59284 41.9942 -62.704 12.712 9.5928 12.712 45.3045 GPRESSAVG: 115200 -2.26281 43.7797 7.70577 41.7421 -62.3467 15.3955 10.5347 11.896 45.7551 TIMING: 115200 CPU: 332.969, 0.00290515/step Wall: 332.969, 0.00290515/step, 3.94197 hours remaining, 204.457031 MB of memory in use. ENERGY: 115200 734.0772 2163.2882 1928.8482 122.7035 -206205.1979 17732.9050 0.0000 0.0000 34331.8786 -149191.4974 299.8288 -183523.3760 -149094.8253 299.1353 -31.8106 3.1179 556800.2970 -6.4434 -6.2848 PRESSURE: 115400 -35.0965 -141.946 -72.7192 -141.945 -268.319 72.4716 -72.7206 72.471 -54.5689 GPRESSURE: 115400 -55.1599 -136.628 21.1964 -136.269 -173.537 7.0379 -101.004 138.535 -35.961 PRESSAVG: 115400 17.7889 -18.3006 26.7673 -18.3007 17.0108 34.1214 26.7673 34.1214 -0.930177 GPRESSAVG: 115400 18.2307 -20.0396 26.6013 -16.9344 17.5399 33.5813 28.1154 35.296 -1.62884 TIMING: 115400 CPU: 333.555, 0.00292611/step Wall: 333.555, 0.00292611/step, 3.97025 hours remaining, 204.457031 MB of memory in use. ENERGY: 115400 735.0471 2123.2388 1925.2382 108.9875 -205908.3689 17636.8779 0.0000 0.0000 34294.8659 -149084.1136 299.5056 -183378.9795 -148981.4112 299.7108 -119.3281 -88.2192 556847.9993 11.2898 11.3806 PRESSURE: 115600 -12.9483 -228.755 -136.754 -228.756 56.2419 8.8809 -136.753 8.88324 -24.2725 GPRESSURE: 115600 36.0981 -202.19 -151.425 -150.818 30.2319 -8.28276 -122.372 49.6737 42.6033 PRESSAVG: 115600 29.2931 -17.6949 8.99675 -17.6949 5.53823 11.0708 8.99672 11.0707 -16.7615 GPRESSAVG: 115600 29.9701 -16.4945 8.05203 -18.7669 5.07414 11.3099 7.82933 9.99954 -16.6786 TIMING: 115600 CPU: 334.137, 0.0029133/step Wall: 334.137, 0.0029133/step, 3.9527 hours remaining, 204.457031 MB of memory in use. ENERGY: 115600 735.4598 2082.4772 1926.4898 99.0453 -205962.3464 17654.7573 0.0000 0.0000 34373.4799 -149090.6370 300.1921 -183464.1169 -148984.3915 299.4847 6.3404 36.3111 557349.4240 6.0233 6.1219 PRESSURE: 115800 -134.169 33.3234 -64.4688 33.323 -134.381 -68.0816 -64.4689 -68.0822 41.3051 GPRESSURE: 115800 -101.763 -101.305 -65.6162 66.1744 -86.6964 -89.6351 -108.896 -105.402 40.7423 PRESSAVG: 115800 39.5806 -13.9517 -60.1662 -13.9516 -8.11622 -10.6524 -60.1661 -10.6525 -14.2031 GPRESSAVG: 115800 39.393 -15.545 -58.9669 -13.4263 -8.21707 -11.9382 -61.5051 -10.8932 -13.9389 TIMING: 115800 CPU: 334.717, 0.00289767/step Wall: 334.717, 0.00289767/step, 3.93133 hours remaining, 204.457031 MB of memory in use. ENERGY: 115800 759.8541 2076.8014 1935.6988 107.0074 -206083.1771 17682.1549 0.0000 0.0000 34445.3636 -149076.2967 300.8199 -183521.6604 -148980.7517 300.1283 -75.7483 -49.2389 556607.8193 5.7538 5.7457 PRESSURE: 116000 54.4052 227.342 -78.6004 227.343 20.9902 19.7346 -78.6015 19.7344 -163.085 GPRESSURE: 116000 103.42 261.938 -153.066 210.351 0.612042 55.4273 -14.5182 58.2362 -93.6467 PRESSAVG: 116000 -49.9133 -5.90542 -44.5536 -5.90542 -16.7613 3.97192 -44.5536 3.97212 65.8641 GPRESSAVG: 116000 -50.5233 -2.72313 -43.6025 -7.15213 -15.9273 4.81973 -44.3263 4.37772 65.9678 TIMING: 116000 CPU: 335.294, 0.00288431/step Wall: 335.294, 0.00288431/step, 3.91305 hours remaining, 204.457031 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: 116000 765.6480 2160.4932 1918.1914 104.2769 -206275.7765 17806.7810 0.0000 0.0000 34247.8716 -149272.5144 299.0952 -183520.3861 -149179.4928 298.9467 -29.2297 3.4618 556572.8045 -0.2701 -0.1609 PRESSURE: 116200 -437.044 -8.10796 54.9116 -8.10756 -20.6169 -41.2328 54.9104 -41.2323 -35.2789 GPRESSURE: 116200 -459.681 -100.359 45.8446 -38.2414 22.6565 -42.6593 60.8701 -32.64 36.2599 PRESSAVG: 116200 -64.8457 8.25012 29.6601 8.25006 5.51561 52.3036 29.6601 52.3036 40.1466 GPRESSAVG: 116200 -63.987 6.19864 29.2339 8.45619 5.37047 50.7132 29.8766 54.7945 39.3947 TIMING: 116200 CPU: 335.872, 0.00289069/step Wall: 335.872, 0.00289069/step, 3.92154 hours remaining, 204.457031 MB of memory in use. ENERGY: 116200 744.5165 2101.4009 1951.6149 108.3785 -206198.8167 17580.4459 0.0000 0.0000 34485.0837 -149227.3764 301.1668 -183712.4601 -149126.9870 300.0578 -164.3134 -133.5883 555702.2816 -6.3945 -6.4073 LDB: ============= START OF LOAD BALANCING ============== 339.255 LDB: ============== END OF LOAD BALANCING =============== 339.255 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 339.256 LDB: ============= START OF LOAD BALANCING ============== 339.544 LDB: Largest compute 4801 load 0.025160 is 21.3% of average load 0.117867 LDB: Average compute 0.001716 is 1.5% of average load 0.117867 LDB: TIME 339.547 LOAD: AVG 0.117867 MAX 0.177986 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.27 MB LDB: TIME 339.547 LOAD: AVG 0.117867 MAX 0.177986 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.273 MB LDB: TIME 339.547 LOAD: AVG 0.117867 MAX 0.177986 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 339.549 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 339.553 PRESSURE: 116400 -385.611 -29.9904 -67.7215 -29.9899 -142.008 133.482 -67.7204 133.481 -205.346 GPRESSURE: 116400 -351.108 -46.669 -144.031 5.49159 -100.577 120.011 -48.2566 132.472 -197.243 PRESSAVG: 116400 12.5184 -2.69064 -66.8281 -2.69057 -38.7171 54.5677 -66.8281 54.5678 58.1089 GPRESSAVG: 116400 10.8846 -2.15098 -67.2421 -2.43256 -38.432 56.1754 -65.8249 49.5112 59.0375 TIMING: 116400 CPU: 336.458, 0.00292885/step Wall: 336.458, 0.00292885/step, 3.97315 hours remaining, 203.703125 MB of memory in use. ENERGY: 116400 759.6939 2058.9961 1982.9433 130.7393 -205771.0927 17532.9563 0.0000 0.0000 34199.5755 -149106.1883 298.6734 -183305.7638 -149012.4087 299.9342 -244.3219 -216.3095 557565.3103 10.6367 10.4967 PRESSURE: 116600 189.536 40.3254 -105.872 40.3242 -74.6156 -2.89883 -105.871 -2.89816 217.795 GPRESSURE: 116600 196.118 40.9176 -108.284 59.5444 -68.3121 -10.4917 -107.367 11.408 293.535 PRESSAVG: 116600 -24.9355 -57.8034 -7.0879 -57.8034 8.63621 -0.96746 -7.08784 -0.967612 29.4345 GPRESSAVG: 116600 -25.6795 -58.0677 -7.10338 -57.1976 8.90201 -0.572344 -8.2631 2.2561 29.8583 TIMING: 116600 CPU: 337.03, 0.00286359/step Wall: 337.03, 0.00286359/step, 3.88447 hours remaining, 203.703125 MB of memory in use. ENERGY: 116600 761.4107 2111.6579 1934.2617 114.9494 -206419.9358 17918.6959 0.0000 0.0000 34502.0734 -149076.8868 301.3152 -183578.9602 -148974.8585 299.6434 110.9051 140.4470 556075.1000 4.3784 4.3603 PRESSURE: 116800 182.711 -49.3653 70.0795 -49.3649 121.094 114.952 70.0792 114.95 92.2974 GPRESSURE: 116800 180.94 -8.93409 111.333 -138.313 123.911 107.054 20.6799 142.964 179.123 PRESSAVG: 116800 -17.1724 -24.534 8.42813 -24.5341 39.5947 -24.9952 8.42815 -24.9952 -1.54234 GPRESSAVG: 116800 -15.8139 -24.3253 8.02599 -25.6938 39.6585 -26.2572 10.2289 -24.7196 -2.86879 TIMING: 116800 CPU: 337.599, 0.00284532/step Wall: 337.599, 0.00284532/step, 3.85952 hours remaining, 203.703125 MB of memory in use. ENERGY: 116800 709.8574 2131.1847 1941.1036 120.2923 -206131.6408 17900.8843 0.0000 0.0000 34158.6032 -149169.7154 298.3156 -183328.3186 -149067.5648 299.9123 132.0341 161.3247 558132.9666 6.9600 6.9919 PRESSURE: 117000 158.664 -15.136 -128.867 -15.1357 1.15415 -24.9115 -128.867 -24.9135 338.692 GPRESSURE: 117000 141.754 -10.8848 -142.933 -24.2463 83.7928 -62.0291 -140.255 -20.2609 372.436 PRESSAVG: 117000 -0.238307 -24.6405 -34.8644 -24.6404 -14.619 51.2931 -34.8645 51.293 -8.21306 GPRESSAVG: 117000 -0.405806 -25.3122 -34.7809 -22.9876 -14.4697 50.7475 -34.3463 51.4537 -7.7684 TIMING: 117000 CPU: 338.169, 0.00284903/step Wall: 338.169, 0.00284903/step, 3.86439 hours remaining, 203.703125 MB of memory in use. ENERGY: 117000 717.0572 2125.5190 1944.3538 107.3564 -206173.3351 18037.1884 0.0000 0.0000 34129.5330 -149112.3273 298.0617 -183241.8603 -149015.6144 299.2059 166.1701 199.3276 555927.1305 -7.6901 -7.5480 PRESSURE: 117200 -8.03067 20.8101 124.843 20.8106 -79.1434 -141.039 124.843 -141.04 160.504 GPRESSURE: 117200 88.5375 2.07814 84.2585 25.3329 -55.539 -130.538 129.006 -118.481 135.939 PRESSAVG: 117200 -29.4781 -53.3558 -45.8082 -53.3558 19.826 59.5186 -45.8081 59.5186 -4.28674 GPRESSAVG: 117200 -30.8063 -52.2349 -46.5192 -55.0625 20.0815 59.5274 -45.4239 58.921 -3.82312 TIMING: 117200 CPU: 338.737, 0.00283853/step Wall: 338.737, 0.00283853/step, 3.85 hours remaining, 203.703125 MB of memory in use. ENERGY: 117200 749.8276 2096.8037 1943.2789 102.7779 -205890.4305 17723.1316 0.0000 0.0000 34112.8066 -149161.8041 297.9156 -183274.6107 -149072.9639 300.2527 24.4434 56.3124 556994.5440 -4.6463 -4.8493 PRESSURE: 117400 -172.432 -115.234 -102.066 -115.234 94.7848 26.4868 -102.066 26.4863 221.014 GPRESSURE: 117400 -134.972 -165.372 -97.9721 -95.4708 111.514 42.466 -163.486 7.33913 260.602 PRESSAVG: 117400 -1.99548 -32.3331 8.9463 -32.3331 -23.2384 51.755 8.94626 51.7549 -13.5356 GPRESSAVG: 117400 -1.26653 -30.9569 9.48671 -32.0839 -23.504 52.4535 9.5611 52.0364 -13.7229 TIMING: 117400 CPU: 339.309, 0.00285949/step Wall: 339.309, 0.00285948/step, 3.87826 hours remaining, 203.703125 MB of memory in use. ENERGY: 117400 718.6186 2073.1484 1942.5314 116.8195 -205797.5173 17747.0733 0.0000 0.0000 34057.7624 -149141.5638 297.4349 -183199.3262 -149048.1858 299.2784 47.7889 79.0480 557284.3779 -12.9232 -12.8311 PRESSURE: 117600 185.077 -20.0109 -133.819 -20.0107 -117.337 190.987 -133.82 190.988 -64.713 GPRESSURE: 117600 254.862 -91.6813 -230.308 -56.8776 -101.303 188.195 -76.4965 155.855 -66.0669 PRESSAVG: 117600 10.4804 -13.0708 -7.25707 -13.0708 5.53792 23.8054 -7.2571 23.8053 2.40188 GPRESSAVG: 117600 10.438 -16.1183 -6.38973 -11.9986 6.06213 24.3966 -10.2855 23.2891 1.90017 TIMING: 117600 CPU: 339.88, 0.00285731/step Wall: 339.88, 0.00285731/step, 3.87514 hours remaining, 203.820312 MB of memory in use. ENERGY: 117600 712.5326 2095.8538 1932.4606 118.9495 -206002.5203 17667.1924 0.0000 0.0000 34278.8396 -149196.6919 299.3656 -183475.5315 -149101.5603 299.3114 1.0089 29.1643 557736.2971 6.1401 6.1334 PRESSURE: 117800 -141.317 -106.788 -152.799 -106.788 43.6476 -91.9584 -152.799 -91.958 -238.744 GPRESSURE: 117800 -58.9859 -38.5319 -73.0662 -174.822 48.0831 -40.1511 -230.191 -122.95 -238.581 PRESSAVG: 117800 -3.68761 -74.5079 -46.0625 -74.5079 -31.2939 68.3733 -46.0624 68.3734 17.5228 GPRESSAVG: 117800 -4.41906 -73.6657 -45.0927 -76.5417 -30.8177 67.3076 -44.9537 69.4535 17.4883 TIMING: 117800 CPU: 340.452, 0.00285943/step Wall: 340.452, 0.00285943/step, 3.87786 hours remaining, 203.820312 MB of memory in use. ENERGY: 117800 728.5001 2132.1366 1934.0078 116.6920 -205996.5203 17699.8312 0.0000 0.0000 34209.4451 -149175.9073 298.7596 -183385.3525 -149077.7862 298.8759 -112.1379 -83.1612 558224.9092 -5.8196 -5.9161 PRESSURE: 118000 -80.615 40.7225 11.7663 40.7217 -122.351 -167.413 11.7674 -167.411 275.375 GPRESSURE: 118000 -24.6217 17.5885 33.4511 116.558 -129.088 -235.606 -38.6221 -12.3931 324.737 PRESSAVG: 118000 4.42566 36.9798 -37.6653 36.9799 -9.81117 8.93305 -37.6651 8.93307 14.8603 GPRESSAVG: 118000 4.76545 38.746 -38.0989 36.712 -10.689 9.75378 -38.523 8.2812 15.3743 TIMING: 118000 CPU: 341.026, 0.0028676/step Wall: 341.026, 0.0028676/step, 3.88878 hours remaining, 203.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 118000 753.6171 2070.0310 1928.5360 106.5707 -206096.2370 17792.1403 0.0000 0.0000 34362.0406 -149083.3014 300.0922 -183445.3420 -148990.9085 299.1927 24.1363 57.0090 556819.0974 3.1583 3.1503 PRESSURE: 118200 -90.9748 -135.333 -59.6131 -135.333 26.8913 126.465 -59.6136 126.464 81.7163 GPRESSURE: 118200 -62.485 -199.968 -30.7873 -58.1304 72.0956 89.0095 -126.836 127.48 99.5278 PRESSAVG: 118200 2.57541 -14.2556 -30.2222 -14.2557 -41.6286 -10.9815 -30.2222 -10.9816 53.7342 GPRESSAVG: 118200 2.65849 -14.4853 -30.0907 -13.7602 -41.3705 -10.2175 -29.7489 -11.4001 53.8712 TIMING: 118200 CPU: 341.6, 0.00287323/step Wall: 341.6, 0.00287323/step, 3.89626 hours remaining, 203.820312 MB of memory in use. ENERGY: 118200 741.4640 2065.9848 1940.4435 101.9241 -206287.9327 17763.6803 0.0000 0.0000 34391.4597 -149282.9762 300.3492 -183674.4360 -149181.6982 298.7200 5.8776 36.3795 556612.3863 4.8937 5.0530 PRESSURE: 118400 333.772 51.0679 24.3939 51.0674 150.26 -31.6503 24.393 -31.6515 208.356 GPRESSURE: 118400 383.281 45.2461 32.0186 58.8189 148.313 33.4098 -18.4154 -39.7776 247.198 PRESSAVG: 118400 20.0071 -80.2911 31.7478 -80.2911 -92.3603 -16.5088 31.7477 -16.5087 50.4549 GPRESSAVG: 118400 20.0201 -80.9604 31.184 -80.5848 -92.6128 -17.4168 32.6143 -15.9304 50.2779 TIMING: 118400 CPU: 342.172, 0.00286089/step Wall: 342.172, 0.00286089/step, 3.87936 hours remaining, 203.820312 MB of memory in use. ENERGY: 118400 752.2645 2087.3779 1931.5774 116.1902 -206913.4348 18260.3962 0.0000 0.0000 34351.4324 -149414.1962 299.9996 -183765.6286 -149317.0910 299.0743 230.7961 259.5973 556351.9074 -7.2994 -7.4383 PRESSURE: 118600 272.752 246.774 -84.548 246.774 13.8713 -46.7947 -84.5482 -46.7941 242.139 GPRESSURE: 118600 257.448 214.199 -112.211 182.777 129.038 -63.842 -40.5153 -32.3336 236.016 PRESSAVG: 118600 16.3633 -4.09225 27.0276 -4.09224 -3.95802 -56.421 27.0276 -56.4209 15.6664 GPRESSAVG: 118600 16.5751 -4.24532 27.9209 -3.34115 -3.51918 -55.0177 27.4969 -58.0068 14.8315 TIMING: 118600 CPU: 342.745, 0.00286116/step Wall: 342.745, 0.00286116/step, 3.87957 hours remaining, 203.820312 MB of memory in use. ENERGY: 118600 719.0289 2123.4646 1905.2558 110.4780 -206582.6099 17995.3953 0.0000 0.0000 34342.6849 -149386.3025 299.9232 -183728.9874 -149288.3722 298.7650 176.2543 207.5008 556582.5602 9.3572 9.2958 PRESSURE: 118800 -412.829 21.0516 119.012 21.0517 -38.6989 -83.8186 119.014 -83.8196 -100.544 GPRESSURE: 118800 -387.588 38.2927 82.0389 54.433 -46.4314 -93.8276 146.434 -10.4454 -11.2124 PRESSAVG: 118800 -20.9321 -31.8097 66.4543 -31.8097 -3.99482 -44.8329 66.4545 -44.8329 -0.10059 GPRESSAVG: 118800 -21.0717 -30.8447 66.8352 -31.0162 -3.63674 -44.582 65.4612 -43.8774 -0.0763065 TIMING: 118800 CPU: 343.322, 0.0028844/step Wall: 343.322, 0.0028844/step, 3.91092 hours remaining, 203.820312 MB of memory in use. ENERGY: 118800 727.9795 2118.2913 1933.5021 107.8084 -205625.9291 17443.0787 0.0000 0.0000 34118.8281 -149176.4410 297.9682 -183295.2691 -149081.5626 299.4705 -184.0242 -148.4106 558406.9747 -8.3425 -8.2616 PRESSURE: 119000 -317.769 64.9421 -69.4755 64.9408 -16.6115 -170.178 -69.4754 -170.177 -59.7647 GPRESSURE: 119000 -315.375 55.4034 -96.0008 72.6826 45.0404 -139.005 -50.2644 -191.24 -24.2959 PRESSAVG: 119000 -90.1612 -29.7223 -5.92429 -29.7222 88.1481 -37.5983 -5.92432 -37.5983 -8.71758 GPRESSAVG: 119000 -89.9095 -30.761 -5.51383 -30.26 88.1882 -37.9808 -5.28198 -38.8346 -9.09914 TIMING: 119000 CPU: 343.899, 0.00288809/step Wall: 343.899, 0.00288809/step, 3.91577 hours remaining, 203.820312 MB of memory in use. ENERGY: 119000 767.5237 2074.4828 1932.2246 112.5728 -206382.6349 17885.5991 0.0000 0.0000 34213.4907 -149396.7413 298.7949 -183610.2320 -149305.0270 298.6909 -131.3817 -98.2101 557876.2379 -3.5769 -3.6068 PRESSURE: 119200 -48.9231 133.73 147.806 133.729 -83.8815 -54.9501 147.805 -54.951 114.251 GPRESSURE: 119200 -35.1144 73.7976 82.8411 211.437 -37.1234 -0.657824 132.948 -80.8471 153.715 PRESSAVG: 119200 -22.0112 -17.5805 -0.366089 -17.5805 22.6988 -40.3455 -0.366112 -40.3454 -6.19293 GPRESSAVG: 119200 -21.5208 -18.9806 -0.0111198 -17.6646 22.7843 -41.0927 -2.12701 -38.7107 -6.82049 TIMING: 119200 CPU: 344.473, 0.00287115/step Wall: 344.473, 0.00287115/step, 3.89264 hours remaining, 203.820312 MB of memory in use. ENERGY: 119200 702.6112 2102.5581 1973.4057 99.3617 -206238.7263 17723.8321 0.0000 0.0000 34279.8543 -149357.1031 299.3745 -183636.9574 -149253.8765 298.4644 -6.1844 27.1591 557309.7917 -1.8351 -1.8524 PRESSURE: 119400 32.0617 116.262 -28.4646 116.261 109.949 -25.7359 -28.4657 -25.7367 -83.873 GPRESSURE: 119400 134.117 127.645 34.5988 118.823 88.3358 -77.4658 -87.0279 -91.1295 -68.7491 PRESSAVG: 119400 -24.2945 72.0816 13.2506 72.0817 87.384 32.8312 13.2506 32.8312 -91.1767 GPRESSAVG: 119400 -25.4749 74.2161 12.0019 72.6335 87.7187 35.4044 15.8755 31.6806 -90.4916 TIMING: 119400 CPU: 345.05, 0.00288357/step Wall: 345.05, 0.00288357/step, 3.90932 hours remaining, 203.820312 MB of memory in use. ENERGY: 119400 758.2354 2096.0050 1948.2084 123.5502 -206476.9808 17911.5163 0.0000 0.0000 34279.0616 -149360.4040 299.3676 -183639.4656 -149271.6814 298.6438 19.3793 51.2346 557182.5430 -9.3624 -9.4159 PRESSURE: 119600 86.6775 31.2159 192.392 31.2164 95.5516 89.3931 192.392 89.393 246.611 GPRESSURE: 119600 133.273 -4.46931 132.328 91.648 186.425 144.496 126.208 165.334 212.783 PRESSAVG: 119600 -10.9249 52.9106 -14.9613 52.9104 49.6131 14.5875 -14.9613 14.5874 -36.3008 GPRESSAVG: 119600 -10.9982 53.4149 -15.8209 52.3639 49.2284 14.8834 -13.6509 16.4452 -36.2058 TIMING: 119600 CPU: 345.627, 0.00288357/step Wall: 345.627, 0.00288357/step, 3.90915 hours remaining, 203.820312 MB of memory in use. ENERGY: 119600 718.9512 2069.5800 1945.4902 113.7363 -206431.5072 17944.6899 0.0000 0.0000 34283.9511 -149355.1085 299.4103 -183639.0596 -149264.4894 299.0406 142.9466 177.4935 556527.2819 0.7958 0.6748 PRESSURE: 119800 189.717 152.379 -8.68725 152.378 -176.368 65.8268 -8.6868 65.825 -271.668 GPRESSURE: 119800 179.971 203.491 -29.9922 30.1582 -175.123 9.55891 90.5685 140.394 -170.239 PRESSAVG: 119800 72.6077 20.4027 7.07879 20.4028 -38.5604 3.32527 7.07873 3.32527 13.9266 GPRESSAVG: 119800 71.7425 18.8499 7.88882 19.6809 -37.386 0.934162 5.23086 3.07361 13.9447 TIMING: 119800 CPU: 346.206, 0.00289686/step Wall: 346.206, 0.00289686/step, 3.92702 hours remaining, 203.820312 MB of memory in use. ENERGY: 119800 736.5939 2082.5878 1946.7849 114.1807 -206433.7476 17863.0745 0.0000 0.0000 34255.4159 -149435.1099 299.1611 -183690.5259 -149338.9093 298.9461 -86.1059 -55.1303 557649.8735 15.9913 16.1004 PRESSURE: 120000 82.491 -36.0627 91.0949 -36.0635 245.396 -49.4576 91.0938 -49.4569 26.441 GPRESSURE: 120000 117.538 -75.1264 134.651 -29.0126 297.278 -104.852 12.2809 -64.8453 34.0707 PRESSAVG: 120000 51.4521 -15.4518 -28.3755 -15.4518 -59.3002 -9.75079 -28.3755 -9.75087 -17.9012 GPRESSAVG: 120000 51.2326 -14.1581 -27.6692 -14.932 -58.7543 -9.626 -29.1185 -9.12873 -17.464 TIMING: 120000 CPU: 346.784, 0.00289016/step Wall: 346.784, 0.00289016/step, 3.91777 hours remaining, 203.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 120000 707.4568 2056.9955 1931.4381 109.6270 -206500.7856 18054.5418 0.0000 0.0000 34091.6842 -149549.0421 297.7312 -183640.7263 -149446.8459 297.9962 118.1094 149.6287 557579.8448 -8.5831 -8.3286 PRESSURE: 120200 61.6821 56.422 -0.665212 56.4234 149.798 29.4066 -0.664723 29.4066 57.9437 GPRESSURE: 120200 95.2331 15.8991 70.6229 115.58 193.953 -45.0471 6.15837 -48.9487 82.0607 PRESSAVG: 120200 -10.2309 -16.0101 0.392372 -16.0101 50.1498 -36.2415 0.392347 -36.2415 -69.6384 GPRESSAVG: 120200 -9.50187 -16.6137 0.738883 -15.24 49.4515 -36.7086 1.66844 -37.3153 -69.5048 TIMING: 120200 CPU: 347.362, 0.00288673/step Wall: 347.362, 0.00288673/step, 3.91296 hours remaining, 203.820312 MB of memory in use. ENERGY: 120200 715.0809 2101.9845 1920.9696 111.3330 -206818.5433 18060.0972 0.0000 0.0000 34385.4380 -149523.6402 300.2966 -183909.0781 -149430.0695 298.1008 89.8080 123.7491 555865.3484 -9.9065 -9.8517 LDB: ============= START OF LOAD BALANCING ============== 350.749 LDB: ============== END OF LOAD BALANCING =============== 350.749 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 350.751 LDB: ============= START OF LOAD BALANCING ============== 351.039 LDB: Largest compute 4801 load 0.023910 is 20.3% of average load 0.117812 LDB: Average compute 0.001719 is 1.5% of average load 0.117812 LDB: TIME 351.042 LOAD: AVG 0.117812 MAX 0.180625 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.758 MB LDB: TIME 351.042 LOAD: AVG 0.117812 MAX 0.180625 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.957 MB LDB: TIME 351.042 LOAD: AVG 0.117812 MAX 0.180625 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 351.044 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 351.048 PRESSURE: 120400 -231.437 21.7312 -113.628 21.7317 15.6959 -51.6523 -113.628 -51.6501 -59.5623 GPRESSURE: 120400 -199.303 31.4877 -76.1615 -23.3722 60.7236 -41.7806 -106.936 -36.9055 -29.6134 PRESSAVG: 120400 29.4079 -37.8369 1.66338 -37.8368 -39.5727 -48.5134 1.66339 -48.5135 12.9604 GPRESSAVG: 120400 29.5816 -39.0417 2.95371 -38.6788 -39.9824 -46.8498 1.60779 -49.5797 13.0405 TIMING: 120400 CPU: 347.953, 0.00295532/step Wall: 347.953, 0.00295532/step, 4.00577 hours remaining, 206.441406 MB of memory in use. ENERGY: 120400 747.9926 2117.5434 1964.4069 103.9751 -206577.4124 17892.5851 0.0000 0.0000 34258.3637 -149492.5455 299.1868 -183750.9093 -149399.0614 298.8989 -91.7679 -56.0644 557143.2995 0.9319 0.8799 PRESSURE: 120600 45.7853 47.6834 52.5352 47.6843 85.3594 156.895 52.5336 156.896 -204.018 GPRESSURE: 120600 107.039 26.4477 23.8892 16.321 96.3385 160.281 -20.9896 87.4336 -165.957 PRESSAVG: 120600 62.7953 7.5811 2.69353 7.5811 41.9059 -12.7746 2.69357 -12.7745 -99.6337 GPRESSAVG: 120600 63.4455 8.34546 1.9837 7.79761 41.3775 -14.7477 0.629264 -11.3002 -100.218 TIMING: 120600 CPU: 348.528, 0.00287821/step Wall: 348.528, 0.00287821/step, 3.9011 hours remaining, 206.511719 MB of memory in use. ENERGY: 120600 753.2848 2031.8850 1944.3745 110.7200 -206393.5454 17788.1814 0.0000 0.0000 34185.7450 -149579.3548 298.5526 -183765.0997 -149482.8601 298.6388 -24.2911 12.4734 556760.4140 1.6891 1.5350 PRESSURE: 120800 -28.2645 47.3226 -49.195 47.3218 -3.93802 79.3154 -49.1951 79.316 -325.695 GPRESSURE: 120800 12.754 49.9269 -60.2188 45.0318 27.999 22.6082 -2.16328 60.9284 -309.714 PRESSAVG: 120800 42.8937 16.592 16.2116 16.5921 28.2019 54.9029 16.2116 54.903 -50.1184 GPRESSAVG: 120800 41.948 15.9859 16.0664 16.9625 28.2565 56.5799 17.4563 54.9132 -49.8749 TIMING: 120800 CPU: 349.11, 0.00291/step Wall: 349.11, 0.00291/step, 3.94403 hours remaining, 206.511719 MB of memory in use. ENERGY: 120800 742.1679 2143.3326 1960.3066 100.5782 -206179.4677 17636.8645 0.0000 0.0000 34128.6525 -149467.5653 298.0540 -183596.2177 -149366.1234 298.6609 -119.2993 -89.6538 558474.0460 6.9924 6.7765 PRESSURE: 121000 -120.325 -167.405 19.5557 -167.405 -282.355 129.902 19.5562 129.9 -229.142 GPRESSURE: 121000 -95.8188 -162.489 93.7793 -167.227 -257.511 78.6684 34.764 82.8756 -190.872 PRESSAVG: 121000 -5.88214 -22.611 29.1401 -22.6109 -6.35502 6.22184 29.1401 6.22184 -18.5116 GPRESSAVG: 121000 -6.22176 -21.4271 29.7121 -24.8853 -5.89804 5.38709 30.6066 7.03104 -18.5541 TIMING: 121000 CPU: 349.694, 0.00291646/step Wall: 349.694, 0.00291646/step, 3.95261 hours remaining, 206.511719 MB of memory in use. ENERGY: 121000 760.5891 2079.0193 1962.8665 105.9446 -206233.7177 17694.3141 0.0000 0.0000 34169.5448 -149461.4393 298.4111 -183630.9841 -149362.0209 298.7610 -210.6074 -181.4004 558442.3610 -10.2496 -10.2246 PRESSURE: 121200 -70.5498 30.0195 -214.103 30.0191 87.4428 -89.7428 -214.105 -89.7431 -110.966 GPRESSURE: 121200 -88.502 181.512 -167.977 -31.4176 170.223 -133.782 -222.23 27.2147 -83.005 PRESSAVG: 121200 -15.1887 62.448 -17.8576 62.448 29.7123 -0.846803 -17.8575 -0.846792 -18.8272 GPRESSAVG: 121200 -16.0324 63.1251 -18.7579 61.8797 30.3707 -0.463125 -21.0193 -2.33592 -18.5002 TIMING: 121200 CPU: 350.267, 0.00286535/step Wall: 350.267, 0.00286535/step, 3.88318 hours remaining, 206.511719 MB of memory in use. ENERGY: 121200 726.1297 2084.9513 1942.0244 120.8438 -206224.6882 17772.4207 0.0000 0.0000 34011.3171 -149567.0013 297.0293 -183578.3183 -149474.3204 298.7024 -31.3578 -0.4280 556124.0954 -1.4345 -1.3873 PRESSURE: 121400 -120.206 -7.00452 -46.0283 -7.00426 20.7096 -98.7638 -46.0295 -98.7654 -157.153 GPRESSURE: 121400 -93.3667 1.0017 -35.522 -31.7843 71.6068 -60.8175 -61.1167 -110.81 -135.757 PRESSAVG: 121400 -4.65527 30.4362 -65.0194 30.4362 4.83034 0.653931 -65.0193 0.653865 1.30041 GPRESSAVG: 121400 -3.76902 30.5039 -64.9453 31.0103 6.26379 1.78463 -63.2919 0.907546 0.0481701 TIMING: 121400 CPU: 350.841, 0.00287248/step Wall: 350.841, 0.00287248/step, 3.89269 hours remaining, 206.511719 MB of memory in use. ENERGY: 121400 800.3753 2129.7079 1948.7544 114.2592 -206613.0988 17931.5926 0.0000 0.0000 34057.8663 -149630.5431 297.4358 -183688.4094 -149537.1152 298.3331 -85.5498 -52.5055 555871.1702 0.4918 0.8476 PRESSURE: 121600 45.6496 82.0904 -196.831 82.0893 -300.745 -235.311 -196.83 -235.311 -147.008 GPRESSURE: 121600 45.3432 88.2649 -170.591 34.579 -220.792 -231.424 -164.425 -190.504 -124.307 PRESSAVG: 121600 -10.6116 35.5917 -9.97305 35.5917 -17.8 29.2456 -9.973 29.2457 60.5878 GPRESSAVG: 121600 -11.5029 33.9951 -8.77964 35.5797 -19.7732 26.451 -9.81411 30.9668 63.2239 TIMING: 121600 CPU: 351.413, 0.00285733/step Wall: 351.413, 0.00285733/step, 3.872 hours remaining, 206.511719 MB of memory in use. ENERGY: 121600 753.4375 2078.1118 1964.8754 112.8535 -206547.5770 17817.3416 0.0000 0.0000 34165.7685 -149655.1886 298.3782 -183820.9572 -149557.7243 297.9295 -134.0346 -99.9187 556799.7359 10.7254 10.6493 PRESSURE: 121800 -63.8834 3.09299 -13.8555 3.09233 -240.528 131.494 -13.8551 131.494 381.33 GPRESSURE: 121800 -21.2684 -57.9018 17.6724 75.3339 -229.404 175.886 -18.8904 148.626 438.747 PRESSAVG: 121800 15.613 15.4703 7.40077 15.4703 -39.5631 17.1658 7.40074 17.1658 8.96017 GPRESSAVG: 121800 16.0385 17.0149 7.68755 16.8301 -38.0734 19.4214 6.49571 15.6492 6.68971 TIMING: 121800 CPU: 351.984, 0.00285719/step Wall: 351.984, 0.00285719/step, 3.87166 hours remaining, 206.511719 MB of memory in use. ENERGY: 121800 769.3474 2088.2260 1921.6196 110.2439 -206942.5906 18102.8242 0.0000 0.0000 34279.5549 -149670.7746 299.3719 -183950.3295 -149575.3798 298.1782 25.6395 62.6917 555307.0512 -4.9967 -5.1151 PRESSURE: 122000 -224.124 56.9383 107.23 56.9373 -59.8165 -30.9893 107.23 -30.9915 -134.918 GPRESSURE: 122000 -201.259 2.7329 75.358 68.2576 -15.4106 -12.2793 112.194 -45.82 -97.9631 PRESSAVG: 122000 28.2252 -10.5851 58.9287 -10.5851 -60.9774 -7.03551 58.9288 -7.03538 37.3663 GPRESSAVG: 122000 26.8614 -11.48 57.2566 -11.1715 -61.5748 -8.56071 59.164 -5.50252 39.0374 TIMING: 122000 CPU: 352.562, 0.0028898/step Wall: 352.562, 0.00288981/step, 3.91569 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 122000 766.1182 2104.7539 1963.1317 100.3605 -206740.0976 17850.2491 0.0000 0.0000 34060.3992 -149895.0850 297.4579 -183955.4842 -149794.9072 297.9056 -139.6198 -104.8777 557399.7213 1.5380 1.4414 PRESSURE: 122200 -188.33 -62.5042 35.279 -62.504 -285.292 -151.166 35.2785 -151.167 -282.705 GPRESSURE: 122200 -175.367 -87.3065 -49.1164 -29.0526 -289.947 -232.172 44.257 -190.628 -189.024 PRESSAVG: 122200 -21.0133 -13.4654 13.4551 -13.4653 10.849 -25.1341 13.455 -25.134 36.6564 GPRESSAVG: 122200 -19.318 -12.4974 12.1717 -13.565 9.88947 -23.8615 17.1814 -27.1273 35.9645 TIMING: 122200 CPU: 353.138, 0.00288202/step Wall: 353.138, 0.00288202/step, 3.90497 hours remaining, 206.761719 MB of memory in use. ENERGY: 122200 726.9216 2068.3187 1936.9843 114.7710 -206216.4516 17448.4299 0.0000 0.0000 34292.6777 -149628.3484 299.4865 -183921.0261 -149531.1726 297.7536 -252.1089 -218.1125 556390.4008 8.8307 8.8453 PRESSURE: 122400 62.8268 85.7555 95.2858 85.7547 -271.984 12.7948 95.2855 12.7941 -194.829 GPRESSURE: 122400 13.2192 44.2059 59.463 118.299 -200.065 -65.0007 75.1468 70.3044 -132.483 PRESSAVG: 122400 46.98 -7.85177 27.0894 -7.85185 -18.1693 -30.9323 27.0895 -30.9322 -14.1224 GPRESSAVG: 122400 45.8423 -6.07042 28.4041 -9.15669 -16.9037 -30.6732 24.7904 -30.1718 -14.3291 TIMING: 122400 CPU: 353.719, 0.00290124/step Wall: 353.719, 0.00290124/step, 3.93086 hours remaining, 206.761719 MB of memory in use. ENERGY: 122400 771.8075 2116.1490 1953.0864 121.9472 -206617.2919 17758.9992 0.0000 0.0000 34126.4692 -149768.8334 298.0349 -183895.3026 -149677.0114 298.3824 -134.6619 -106.4431 556146.3398 4.8961 4.8699 PRESSURE: 122600 -16.442 -64.2112 -37.658 -64.2109 -30.1465 33.7346 -37.6573 33.7339 42.4841 GPRESSURE: 122600 -4.10694 -20.1687 -101.667 -62.8965 2.26405 54.0914 -8.66407 -21.0591 88.3474 PRESSAVG: 122600 65.6939 4.88857 29.4316 4.8885 -3.1275 21.1526 29.4316 21.1523 -83.0761 GPRESSAVG: 122600 66.2527 1.75211 30.0277 6.87419 -2.28433 20.7523 29.1795 20.059 -83.5816 TIMING: 122600 CPU: 354.299, 0.00290199/step Wall: 354.299, 0.00290199/step, 3.93172 hours remaining, 206.761719 MB of memory in use. ENERGY: 122600 740.2622 2102.9080 1937.2223 110.4749 -206732.2792 17962.7138 0.0000 0.0000 34081.2955 -149797.4026 297.6404 -183878.6981 -149696.7341 298.1570 -1.3681 28.8348 557280.9593 -6.8366 -6.5377 PRESSURE: 122800 -140.023 -27.0099 27.9773 -27.0105 -189.721 25.6942 27.9767 25.6934 -26.5471 GPRESSURE: 122800 -95.7257 -40.2056 43.8439 -30.0313 -184.077 -83.3743 13.0686 -30.682 16.5184 PRESSAVG: 122800 11.9953 48.3855 21.9108 48.3856 -20.8771 2.33548 21.9108 2.33549 19.0431 GPRESSAVG: 122800 12.6042 48.8927 22.8911 45.9513 -21.5317 1.34911 21.9052 3.51079 19.2759 TIMING: 122800 CPU: 354.88, 0.00290551/step Wall: 354.88, 0.00290551/step, 3.93632 hours remaining, 206.761719 MB of memory in use. ENERGY: 122800 732.8704 2085.8420 2002.7504 115.0546 -206457.1612 17718.0345 0.0000 0.0000 34144.7334 -149657.8760 298.1944 -183802.6094 -149554.4105 297.2033 -118.7639 -87.7616 557585.4617 3.3871 3.4495 PRESSURE: 123000 129.53 94.811 -39.566 94.8116 -117.362 6.2588 -39.5657 6.25772 236.55 GPRESSURE: 123000 144.972 39.8915 -93.6764 141.11 0.668925 5.56051 26.1981 85.3451 193.516 PRESSAVG: 123000 79.6654 8.4262 -41.0803 8.42622 -101.924 -38.107 -41.0804 -38.107 52.1838 GPRESSAVG: 123000 80.1517 6.31548 -43.1519 11.385 -102.266 -39.1077 -40.0575 -36.5856 51.5225 TIMING: 123000 CPU: 355.458, 0.00289016/step Wall: 355.458, 0.00289016/step, 3.91536 hours remaining, 206.761719 MB of memory in use. ENERGY: 123000 715.2348 2123.2787 1921.6796 109.9274 -206702.9085 17963.3675 0.0000 0.0000 34034.5135 -149834.9070 297.2319 -183869.4205 -149745.4370 298.3862 82.9060 113.0524 556726.1926 9.9750 9.8028 PRESSURE: 123200 158.39 2.92613 -43.9318 2.92678 -104.902 174.042 -43.9322 174.043 43.1352 GPRESSURE: 123200 211.71 117.613 -14.9253 -75.6239 -73.613 79.9438 -114.401 109.926 71.5325 PRESSAVG: 123200 60.8827 -8.59779 -41.2962 -8.59782 -50.1876 -5.64556 -41.2962 -5.64554 12.8173 GPRESSAVG: 123200 60.6529 -6.63103 -39.7408 -10.1298 -50.1326 -4.09724 -43.6271 -8.79242 13.0464 TIMING: 123200 CPU: 356.033, 0.00287468/step Wall: 356.033, 0.00287468/step, 3.89423 hours remaining, 206.761719 MB of memory in use. ENERGY: 123200 772.6587 2134.6465 1958.5037 104.4562 -206882.2851 18066.1759 0.0000 0.0000 34320.9643 -149524.8799 299.7335 -183845.8442 -149439.2030 298.4661 32.2077 69.8764 555407.9560 7.8374 7.8556 PRESSURE: 123400 39.356 69.3255 -190.013 69.3261 150.329 92.3576 -190.013 92.3563 45.2462 GPRESSURE: 123400 122.878 85.6565 -202.473 134.063 117.389 68.3054 -187.093 145.057 73.7056 PRESSAVG: 123400 -16.8492 21.1373 -54.705 21.1374 21.9375 -12.311 -54.705 -12.3111 -1.6223 GPRESSAVG: 123400 -17.2088 21.3072 -53.9522 20.3404 22.1924 -10.7693 -53.2845 -10.5637 -1.68551 TIMING: 123400 CPU: 356.608, 0.00287309/step Wall: 356.608, 0.00287309/step, 3.89192 hours remaining, 206.761719 MB of memory in use. ENERGY: 123400 740.2060 2087.3685 1940.8143 108.8673 -206819.8069 17974.5211 0.0000 0.0000 34270.5478 -149697.4818 299.2932 -183968.0296 -149606.1143 298.1430 78.3102 104.6576 554760.2222 1.1553 1.0993 PRESSURE: 123600 134.696 -1.52692 56.339 -1.52545 -2.53615 -133.041 56.3402 -133.04 -143.345 GPRESSURE: 123600 156.415 27.2223 -20.271 -36.5566 23.5915 -148.709 117.139 -67.796 -92.4963 PRESSAVG: 123600 23.0656 2.52882 -28.137 2.52874 17.7901 -17.1348 -28.1369 -17.1348 -47.7006 GPRESSAVG: 123600 23.0975 1.60007 -28.2903 3.72351 17.7535 -19.581 -27.812 -15.9777 -47.5052 TIMING: 123600 CPU: 357.183, 0.00287597/step Wall: 357.183, 0.00287597/step, 3.89566 hours remaining, 206.761719 MB of memory in use. ENERGY: 123600 752.6025 2100.9906 1933.0817 118.4393 -206287.2390 17751.6830 0.0000 0.0000 34051.2446 -149579.1972 297.3780 -183630.4419 -149482.1716 298.2645 -3.7282 29.1701 555480.1318 -2.2816 -2.2181 PRESSURE: 123800 -201.453 -10.0768 -10.5773 -10.0757 -163.452 -65.9081 -10.578 -65.9086 -83.8546 GPRESSURE: 123800 -177.392 23.1913 -39.6063 5.67167 -90.4976 -53.0229 66.2876 -44.8748 -80.0377 PRESSAVG: 123800 -24.7821 14.7871 19.2533 14.7872 59.176 6.73815 19.2533 6.73831 -6.99633 GPRESSAVG: 123800 -25.2076 16.5382 17.4013 14.6502 60.2852 7.21338 18.7711 6.48182 -7.31788 TIMING: 123800 CPU: 357.761, 0.00288914/step Wall: 357.761, 0.00288914/step, 3.91334 hours remaining, 206.761719 MB of memory in use. ENERGY: 123800 751.6668 2117.7300 1949.3965 122.4828 -206142.6439 17619.8049 0.0000 0.0000 34118.5984 -149462.9646 297.9662 -183581.5630 -149364.1928 297.6950 -149.5864 -115.9756 557363.4943 9.1325 9.2532 PRESSURE: 124000 -84.3356 -39.015 82.5843 -39.014 0.632585 182.805 82.5843 182.805 -201.204 GPRESSURE: 124000 -70.1157 17.7814 93.7872 -100.461 50.7751 188.07 17.2029 259.754 -183.982 PRESSAVG: 124000 -6.48128 55.6307 46.4171 55.6308 -26.8875 53.3266 46.4171 53.3265 15.4573 GPRESSAVG: 124000 -6.4032 53.7904 49.1102 54.5273 -28.0064 55.8653 47.3506 51.5585 16.3095 TIMING: 124000 CPU: 358.34, 0.00289801/step Wall: 358.34, 0.00289801/step, 3.9252 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 124000 762.6510 2108.2347 1959.9977 106.9378 -206165.0453 17575.7340 0.0000 0.0000 34092.1969 -149559.2932 297.7356 -183651.4900 -149453.4385 299.1042 -94.9690 -67.7742 556182.3694 -5.9705 -6.0334 PRESSURE: 124200 -65.9745 159.475 -100.316 159.476 -53.7744 85.9709 -100.317 85.9701 34.8326 GPRESSURE: 124200 14.5023 68.7749 -83.6328 189.359 -14.0931 104.463 -51.3976 -62.1693 12.8283 PRESSAVG: 124200 -31.8763 42.5481 3.92464 42.5481 60.5871 47.4884 3.92459 47.4884 -44.2266 GPRESSAVG: 124200 -31.8745 44.6099 2.26283 41.0084 61.9235 46.6565 3.97211 47.8111 -45.9778 TIMING: 124200 CPU: 358.915, 0.00287457/step Wall: 358.915, 0.00287457/step, 3.89328 hours remaining, 206.761719 MB of memory in use. ENERGY: 124200 755.1678 2104.1723 1956.8407 99.4933 -206790.7944 17990.6817 0.0000 0.0000 34132.2772 -149752.1614 298.0857 -183884.4386 -149656.9145 298.0238 -28.3054 4.4125 555383.2817 -5.1720 -5.3096 LDB: ============= START OF LOAD BALANCING ============== 362.3 LDB: ============== END OF LOAD BALANCING =============== 362.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 362.301 LDB: ============= START OF LOAD BALANCING ============== 362.593 LDB: Largest compute 4801 load 0.023103 is 19.6% of average load 0.117821 LDB: Average compute 0.001717 is 1.5% of average load 0.117821 LDB: TIME 362.596 LOAD: AVG 0.117821 MAX 0.180588 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.926 MB LDB: TIME 362.596 LOAD: AVG 0.117821 MAX 0.180588 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.129 MB LDB: TIME 362.596 LOAD: AVG 0.117821 MAX 0.180588 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 362.598 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 362.602 PRESSURE: 124400 146.602 -18.7697 68.6143 -18.7693 -59.1933 -30.614 68.6151 -30.6126 -177.919 GPRESSURE: 124400 147.744 39.0359 15.0692 -22.5945 14.0508 -63.9389 116.64 65.0182 -153.568 PRESSAVG: 124400 50.9986 41.1628 -18.0589 41.1627 70.9197 -29.5073 -18.0589 -29.5073 -88.7755 GPRESSAVG: 124400 51.0635 42.0199 -18.58 41.801 69.1711 -27.6709 -18.6702 -29.681 -87.1436 TIMING: 124400 CPU: 359.507, 0.00295616/step Wall: 359.507, 0.00295616/step, 4.00363 hours remaining, 206.015625 MB of memory in use. ENERGY: 124400 734.4386 2105.0459 1962.7511 117.9409 -206839.8089 17757.0328 0.0000 0.0000 34269.8732 -149892.7265 299.2873 -184162.5997 -149791.8280 297.8458 -30.1701 2.7426 556111.7760 11.0476 11.0303 PRESSURE: 124600 55.3292 -37.5072 42.4944 -37.5046 -176.243 -45.4846 42.4954 -45.4835 -300.742 GPRESSURE: 124600 73.5675 -65.5306 50.1633 -24.9747 -181.063 -198.162 39.6848 -54.33 -221.912 PRESSAVG: 124600 102.604 -56.0224 16.9783 -56.0224 -7.32573 18.1241 16.9783 18.1241 -74.8836 GPRESSAVG: 124600 101.738 -57.6042 18.0923 -55.175 -5.17224 16.2927 15.5409 18.0716 -76.0595 TIMING: 124600 CPU: 360.088, 0.00290519/step Wall: 360.088, 0.00290519/step, 3.93443 hours remaining, 206.218750 MB of memory in use. ENERGY: 124600 742.7294 2092.6711 1955.2539 115.2273 -206810.0452 17812.7696 0.0000 0.0000 34147.4318 -149943.9621 298.2180 -184091.3940 -149841.6895 297.1338 -140.5522 -109.8024 556857.4268 6.7981 6.8355 PRESSURE: 124800 -124.607 -124.223 77.5053 -124.221 149.419 -64.4596 77.5047 -64.4589 -33.0022 GPRESSURE: 124800 -72.6197 -132.644 241.572 -143.085 127.638 -50.4294 31.3338 -66.6149 47.808 PRESSAVG: 124800 -9.30627 2.63179 9.58712 2.63184 64.4611 16.7274 9.58697 16.7273 -84.1447 GPRESSAVG: 124800 -9.57051 4.54816 12.0382 1.99686 62.6877 16.1191 10.5351 18.183 -82.0864 TIMING: 124800 CPU: 360.669, 0.0029056/step Wall: 360.669, 0.0029056/step, 3.93483 hours remaining, 206.218750 MB of memory in use. ENERGY: 124800 730.1645 2132.9189 1964.9517 123.5808 -206601.4758 17881.2654 0.0000 0.0000 34019.1209 -149749.4736 297.0974 -183768.5946 -149659.6943 297.6078 -2.7300 34.2755 555695.2741 -9.6633 -9.6564 PRESSURE: 125000 -52.0795 -42.2505 -60.9679 -42.2495 -71.8944 4.5623 -60.9665 4.56327 164.213 GPRESSURE: 125000 15.5846 -92.6475 35.3673 -113.247 -22.7663 12.756 -19.7102 6.21786 138.605 PRESSAVG: 125000 19.0517 -29.6754 -23.0472 -29.6754 14.9499 24.0133 -23.0473 24.0133 -48.0236 GPRESSAVG: 125000 19.4721 -28.8784 -25.2882 -31.1404 15.5411 24.9451 -22.6868 20.8413 -48.8554 TIMING: 125000 CPU: 361.247, 0.00289351/step Wall: 361.247, 0.00289351/step, 3.91829 hours remaining, 206.218750 MB of memory in use. ENERGY: 125000 736.4419 2048.9992 1969.0602 116.0825 -206820.0138 18021.3773 0.0000 0.0000 34107.1175 -149820.9352 297.8659 -183928.0527 -149722.4537 297.9671 13.4131 43.8077 555336.0331 -4.6740 -4.6141 PRESSURE: 125200 275.751 42.9673 81.5041 42.967 64.1074 321.112 81.5056 321.112 174.415 GPRESSURE: 125200 325.682 -25.2834 111.543 28.4021 79.3021 288.198 35.8234 242.728 209.447 PRESSAVG: 125200 74.6498 -45.3879 -8.19974 -45.3879 -56.7143 36.9166 -8.1998 36.9165 13.9691 GPRESSAVG: 125200 75.5801 -45.3236 -7.91415 -44.5745 -57.3444 36.5099 -8.24851 37.5202 13.3999 TIMING: 125200 CPU: 361.824, 0.00288343/step Wall: 361.824, 0.00288343/step, 3.90448 hours remaining, 206.218750 MB of memory in use. ENERGY: 125200 758.7038 2069.9445 1989.6122 113.2596 -206739.1018 18000.4763 0.0000 0.0000 34107.2421 -149699.8632 297.8670 -183807.1053 -149604.6679 298.2367 171.4246 204.8105 554873.9368 10.6349 10.5452 PRESSURE: 125400 43.308 74.8002 95.5461 74.7997 115.543 3.95632 95.5448 3.9549 238.903 GPRESSURE: 125400 15.2602 66.5035 83.5102 45.8524 133.252 16.0589 126.111 23.6272 336.467 PRESSAVG: 125400 0.504529 59.1992 -22.7118 59.1993 58.4188 -12.3033 -22.7118 -12.3032 -64.1693 GPRESSAVG: 125400 0.370354 56.4542 -23.3301 60.0522 58.348 -12.6935 -24.1944 -9.61077 -63.9389 TIMING: 125400 CPU: 362.402, 0.00289099/step Wall: 362.402, 0.00289099/step, 3.91457 hours remaining, 206.218750 MB of memory in use. ENERGY: 125400 701.0078 2139.1640 1972.7750 119.9298 -206532.7464 17822.0697 0.0000 0.0000 34248.0535 -149529.7465 299.0968 -183777.8000 -149440.4447 298.1724 132.5848 161.6597 556107.5645 -1.7487 -1.7402 PRESSURE: 125600 -103.241 -0.255945 -6.35288 -0.255865 -65.2986 -29.3856 -6.3526 -29.3852 457.632 GPRESSURE: 125600 -17.8034 -51.7419 -31.5233 62.1899 -68.3983 -66.9383 -21.6227 -13.5344 478.927 PRESSAVG: 125600 -6.17173 -16.9974 7.15442 -16.9974 1.86462 -3.82662 7.15434 -3.8266 38.203 GPRESSAVG: 125600 -6.72791 -15.5466 7.2838 -17.1739 2.32198 -1.40755 9.40844 -6.09988 38.6101 TIMING: 125600 CPU: 362.977, 0.00287549/step Wall: 362.977, 0.00287549/step, 3.89341 hours remaining, 206.218750 MB of memory in use. ENERGY: 125600 740.3730 2190.1864 1919.6195 102.0389 -206477.3497 17909.4543 0.0000 0.0000 34123.6936 -149491.9841 298.0107 -183615.6777 -149397.7851 298.5949 96.3639 130.9085 556897.3394 11.2986 11.4014 PRESSURE: 125800 -246.722 59.94 -1.8378 59.9386 4.74981 11.6688 -1.83878 11.6679 -124.144 GPRESSURE: 125800 -236.477 124.743 -46.0963 22.3224 26.224 21.4095 54.567 35.535 -62.3155 PRESSAVG: 125800 -3.95824 54.3211 61.7866 54.3211 -44.239 -33.3066 61.7866 -33.3066 -7.40968 GPRESSAVG: 125800 -3.47547 54.5249 61.2624 53.6204 -44.0111 -35.9763 62.4757 -31.8409 -8.00883 TIMING: 125800 CPU: 363.561, 0.00291564/step Wall: 363.561, 0.00291564/step, 3.94762 hours remaining, 206.218750 MB of memory in use. ENERGY: 125800 743.8641 2043.8934 1971.4684 104.3710 -206174.8781 17649.7964 0.0000 0.0000 34180.3626 -149481.1222 298.5056 -183661.4848 -149391.5290 298.5169 -122.0387 -90.8563 557574.0469 -18.5356 -18.4985 PRESSURE: 126000 -137.111 -133.919 163.449 -133.919 16.8066 -59.7698 163.448 -59.7713 60.2692 GPRESSURE: 126000 -107.206 -208.89 166.337 -98.5292 61.075 -50.5128 77.0509 -36.8977 93.549 PRESSAVG: 126000 8.03077 -24.6793 -10.0679 -24.6792 -12.8602 -48.9194 -10.0679 -48.9194 -44.7819 GPRESSAVG: 126000 8.48366 -25.8056 -8.45725 -24.4547 -14.2579 -47.7241 -11.3162 -49.0798 -43.6635 TIMING: 126000 CPU: 364.14, 0.00289554/step Wall: 364.14, 0.00289554/step, 3.92024 hours remaining, 206.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 126000 735.7485 2090.3198 1960.5334 112.3801 -206277.0000 17763.2160 0.0000 0.0000 34079.3951 -149535.4070 297.6238 -183614.8021 -149446.9582 298.3617 -20.0116 15.8061 556257.8890 -16.5371 -16.4793 PRESSURE: 126200 275.369 45.8898 -27.1012 45.8895 262.281 18.5118 -27.1008 18.5107 35.1462 GPRESSURE: 126200 260.334 26.5318 -137.471 71.2958 318.465 -62.4652 91.2927 -13.053 79.849 PRESSAVG: 126200 27.0954 -53.1702 -37.3687 -53.1701 93.3575 -55.9858 -37.3687 -55.9858 -44.16 GPRESSAVG: 126200 26.76 -52.671 -37.0842 -53.5697 94.9154 -58.3737 -37.569 -55.8714 -45.4268 TIMING: 126200 CPU: 364.717, 0.00288451/step Wall: 364.717, 0.00288451/step, 3.90515 hours remaining, 206.421875 MB of memory in use. ENERGY: 126200 701.8266 2097.1331 1953.8875 112.2640 -206195.9843 17831.0229 0.0000 0.0000 34086.3352 -149413.5151 297.6844 -183499.8502 -149315.7709 298.3982 190.9318 219.5491 555649.6689 25.4310 25.4162 PRESSURE: 126400 214.765 120.483 239.028 120.484 58.2394 -52.6929 239.029 -52.6944 73.8801 GPRESSURE: 126400 256.358 135.283 231.833 30.2233 146.784 -25.4055 192.9 -74.2766 43.9516 PRESSAVG: 126400 29.3712 32.4304 7.96675 32.4304 49.7602 39.5899 7.96675 39.5899 -72.1353 GPRESSAVG: 126400 28.6839 31.8038 6.33418 33.836 49.8612 41.0568 7.73458 37.4683 -71.0044 TIMING: 126400 CPU: 365.291, 0.00287385/step Wall: 365.291, 0.00287385/step, 3.89056 hours remaining, 206.421875 MB of memory in use. ENERGY: 126400 716.5256 2110.9750 1945.8222 114.4938 -206776.0485 18125.9516 0.0000 0.0000 34388.1799 -149374.1003 300.3205 -183762.2802 -149277.9055 299.0311 115.6282 149.0312 555824.1445 2.3320 2.5135 PRESSURE: 126600 0.992488 -65.6766 -69.6082 -65.6766 129.903 -72.7547 -69.6086 -72.7558 -115.509 GPRESSURE: 126600 32.0203 -137.217 -121.853 -29.287 171.521 -103.168 -21.371 -83.5853 -100.774 PRESSAVG: 126600 -11.4057 7.47725 -1.1157 7.47733 64.4701 -15.1161 -1.1158 -15.1162 -52.8316 GPRESSAVG: 126600 -9.9176 8.19704 -1.82773 6.30861 63.9475 -15.305 -0.803858 -13.9424 -53.6419 TIMING: 126600 CPU: 365.871, 0.0029004/step Wall: 365.871, 0.0029004/step, 3.92634 hours remaining, 206.421875 MB of memory in use. ENERGY: 126600 744.8448 2111.6618 1980.9649 122.3035 -206116.4866 17730.6465 0.0000 0.0000 34070.6454 -149355.4197 297.5474 -183426.0651 -149249.8625 298.5388 5.1286 34.2556 556978.9295 0.0776 0.1293 PRESSURE: 126800 114.921 26.2898 21.6135 26.2898 -54.8444 68.8651 21.6132 68.8639 107.902 GPRESSURE: 126800 137.663 16.5339 56.468 14.6939 -9.99682 -5.95705 -18.7077 127.757 144.155 PRESSAVG: 126800 39.5382 -21.5102 -14.3584 -21.5102 -12.9458 7.27385 -14.3585 7.27381 2.88131 GPRESSAVG: 126800 38.863 -20.7745 -13.4947 -21.1751 -12.1752 6.40426 -13.7759 9.48668 3.4149 TIMING: 126800 CPU: 366.45, 0.00289334/step Wall: 366.45, 0.00289334/step, 3.91661 hours remaining, 206.421875 MB of memory in use. ENERGY: 126800 809.2284 2097.0015 1945.7840 109.7995 -206555.3619 17979.8555 0.0000 0.0000 34338.6425 -149275.0504 299.8879 -183613.6929 -149179.6682 298.5859 55.9926 90.6068 556358.2402 9.8246 10.0343 PRESSURE: 127000 421.396 61.5088 99.3058 61.5086 -83.699 -97.3146 99.308 -97.3158 -93.9244 GPRESSURE: 127000 414.194 35.543 65.2498 13.333 -34.1068 -91.6734 91.8552 18.4366 -44.05 PRESSAVG: 127000 17.5576 -22.6021 25.3669 -22.6021 -3.6489 -19.3243 25.367 -19.3242 16.4206 GPRESSAVG: 127000 16.7024 -23.1736 24.6435 -21.9904 -2.56153 -18.5324 24.75 -19.7055 16.3468 TIMING: 127000 CPU: 367.03, 0.00289725/step Wall: 367.03, 0.00289725/step, 3.92175 hours remaining, 206.421875 MB of memory in use. ENERGY: 127000 756.5100 2129.8141 1963.1073 122.4252 -206150.3392 17872.2542 0.0000 0.0000 34131.6906 -149174.5379 298.0805 -183306.2285 -149074.9050 299.0411 81.2575 112.0123 557069.2606 10.1097 10.1626 PRESSURE: 127200 -80.3046 106.188 4.36094 106.188 -63.6438 58.7004 4.36119 58.7003 72.208 GPRESSURE: 127200 -54.7041 35.8934 25.0535 64.7005 -7.68757 -54.0823 -46.1022 79.0642 65.4295 PRESSAVG: 127200 59.4111 -6.84777 1.0214 -6.84764 -52.6958 -42.1759 1.02141 -42.1759 39.9367 GPRESSAVG: 127200 61.344 -8.12824 2.8523 -7.62007 -53.9579 -41.8396 -0.760177 -42.009 39.2944 TIMING: 127200 CPU: 367.613, 0.00291593/step Wall: 367.613, 0.00291593/step, 3.94688 hours remaining, 206.421875 MB of memory in use. ENERGY: 127200 756.9511 2142.7155 1937.3727 110.4451 -205953.6431 17620.6870 0.0000 0.0000 34206.4942 -149178.9775 298.7338 -183385.4717 -149084.7017 299.7399 -23.9135 1.0126 558824.8651 15.5506 15.5602 PRESSURE: 127400 -30.8035 193.694 9.17473 193.694 -116.087 32.3523 9.17568 32.3516 -71.6659 GPRESSURE: 127400 20.2387 186.327 18.6363 178.33 -134.271 23.3848 25.1742 106.334 -12.3835 PRESSAVG: 127400 30.9225 57.6187 12.3854 57.6187 -5.11989 -4.92576 12.3854 -4.92574 -31.8929 GPRESSAVG: 127400 30.594 58.228 9.33 58.2615 -5.74973 -4.89739 13.734 -5.46976 -31.0863 TIMING: 127400 CPU: 368.2, 0.00293551/step Wall: 368.2, 0.00293551/step, 3.97322 hours remaining, 206.421875 MB of memory in use. ENERGY: 127400 725.1014 2089.1693 1938.6373 113.0667 -206013.6352 17698.0613 0.0000 0.0000 34334.8718 -149114.7274 299.8550 -183449.5992 -149017.5613 299.5502 -72.8521 -42.1387 558788.7875 -2.0301 -2.0807 PRESSURE: 127600 31.0123 -38.2969 -2.16887 -38.2971 175.217 -111.379 -2.16985 -111.379 25.984 GPRESSURE: 127600 92.2067 -53.5121 18.1476 -49.0911 228.757 -26.114 22.8494 -138.685 -0.419131 PRESSAVG: 127600 -71.9834 66.0757 -5.45878 66.0758 36.1214 -8.03473 -5.45873 -8.03482 12.424 GPRESSAVG: 127600 -71.6386 67.4866 -4.84336 65.1819 36.6076 -8.03582 -3.76785 -8.22712 11.7652 TIMING: 127600 CPU: 368.782, 0.00290899/step Wall: 368.782, 0.00290899/step, 3.93715 hours remaining, 206.421875 MB of memory in use. ENERGY: 127600 789.6710 2047.0459 1957.2802 115.8538 -206140.1829 17948.9489 0.0000 0.0000 34304.4408 -148976.9424 299.5892 -183281.3832 -148888.3853 299.0611 77.4043 106.8482 558520.8486 -7.8127 -7.7553 PRESSURE: 127800 -73.5711 136.658 -43.315 136.658 5.11013 53.5749 -43.3142 53.5776 -98.1271 GPRESSURE: 127800 -62.1907 69.7154 -73.7649 162.646 56.2972 -56.1656 23.3619 169.453 -62.735 PRESSAVG: 127800 -38.2757 -6.91642 1.38162 -6.91631 107.788 -8.36233 1.3816 -8.36226 -13.5243 GPRESSAVG: 127800 -39.5963 -8.26596 2.97928 -7.25519 106.825 -8.57675 0.791383 -8.2772 -11.7582 TIMING: 127800 CPU: 369.37, 0.00294072/step Wall: 369.37, 0.00294072/step, 3.97993 hours remaining, 206.421875 MB of memory in use. ENERGY: 127800 742.5313 2106.6738 1964.2002 121.4199 -206064.3739 17827.6976 0.0000 0.0000 34353.3501 -148948.5010 300.0164 -183301.8511 -148842.3389 300.2102 -55.5294 -22.8762 558274.9665 18.6627 18.4900 PRESSURE: 128000 -252.98 -189.086 115.079 -189.085 171.389 -26.1599 115.079 -26.1599 78.438 GPRESSURE: 128000 -185.311 -209.966 75.1209 -195.969 205.072 -59.6687 73.4791 0.608055 78.1676 PRESSAVG: 128000 -54.4928 -56.0754 24.3292 -56.0753 44.042 -24.34 24.3292 -24.34 23.6891 GPRESSAVG: 128000 -54.737 -55.8248 23.9313 -56.9797 44.616 -24.1909 23.8544 -25.0134 23.4587 TIMING: 128000 CPU: 369.952, 0.00290894/step Wall: 369.952, 0.00290894/step, 3.93677 hours remaining, 206.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 128000 781.0921 2143.9482 1970.4790 118.6848 -206120.2177 17833.7156 0.0000 0.0000 34301.0509 -148971.2472 299.5596 -183272.2980 -148867.1668 300.0613 -1.0507 32.6428 558374.7700 4.4127 4.4459 PRESSURE: 128200 308.833 -11.3846 -70.8399 -11.3847 63.4485 20.6425 -70.8392 20.6429 48.4674 GPRESSURE: 128200 398.157 -72.6561 -94.2456 52.8256 139.906 5.99056 -86.3153 95.2161 -19.6164 PRESSAVG: 128200 48.4716 -29.3715 22.6253 -29.3716 -37.2908 -20.5351 22.6252 -20.5351 -2.0678 GPRESSAVG: 128200 49.6263 -30.0438 21.6434 -28.0933 -37.2839 -20.421 20.9843 -19.2585 -3.25562 TIMING: 128200 CPU: 370.532, 0.00290474/step Wall: 370.532, 0.00290474/step, 3.93092 hours remaining, 206.421875 MB of memory in use. ENERGY: 128200 734.8910 2127.7626 1930.7817 132.9256 -206657.4030 18230.0254 0.0000 0.0000 34538.4819 -148962.5346 301.6332 -183501.0166 -148864.6249 300.6830 140.2496 172.8156 557015.5248 3.0377 3.0289 LDB: ============= START OF LOAD BALANCING ============== 373.919 LDB: ============== END OF LOAD BALANCING =============== 373.919 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 373.921 LDB: ============= START OF LOAD BALANCING ============== 374.214 LDB: Largest compute 4800 load 0.023129 is 19.6% of average load 0.117769 LDB: Average compute 0.001708 is 1.5% of average load 0.117769 LDB: TIME 374.216 LOAD: AVG 0.117769 MAX 0.181047 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.645 MB LDB: TIME 374.216 LOAD: AVG 0.117769 MAX 0.181047 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.848 MB LDB: TIME 374.217 LOAD: AVG 0.117769 MAX 0.181047 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.848 MB LDB: ============== END OF LOAD BALANCING =============== 374.218 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 374.222 PRESSURE: 128400 -132.387 118.462 -239.773 118.462 -60.2346 -108.804 -239.774 -108.804 -132.618 GPRESSURE: 128400 -104.5 180.903 -330.459 58.4293 -27.0644 -92.3861 -205.513 -179.432 -93.7528 PRESSAVG: 128400 24.7495 4.73916 -0.704759 4.73915 -24.3086 -42.325 -0.70464 -42.3249 3.84232 GPRESSAVG: 128400 23.7663 6.50588 -0.378736 3.70279 -24.3922 -42.5873 0.294114 -44.4138 4.47904 TIMING: 128400 CPU: 371.127, 0.00297191/step Wall: 371.127, 0.00297191/step, 4.02166 hours remaining, 203.902344 MB of memory in use. ENERGY: 128400 765.4556 2088.9989 1974.5897 103.3842 -205957.2584 17773.9770 0.0000 0.0000 34262.1697 -148988.6833 299.2200 -183250.8530 -148892.9501 300.1691 -108.4129 -75.1058 557912.8028 1.4277 1.2844 PRESSURE: 128600 -235.635 -15.7613 -25.8888 -15.7607 292.65 -36.9799 -25.8905 -36.9803 -3.51442 GPRESSURE: 128600 -211.876 -27.2701 19.5888 -19.0039 374.33 -38.5775 -18.0398 -3.80873 -14.9203 PRESSAVG: 128600 -33.1675 -6.05277 8.85337 -6.0526 18.1694 -7.58131 8.85334 -7.58134 6.32773 GPRESSAVG: 128600 -32.3089 -5.77271 7.47417 -6.35926 19.7437 -8.10058 10.2535 -4.36902 4.19164 TIMING: 128600 CPU: 371.714, 0.00293543/step Wall: 371.714, 0.00293543/step, 3.97212 hours remaining, 203.902344 MB of memory in use. ENERGY: 128600 761.9644 2076.3285 1937.4017 128.6021 -206100.5716 17947.8093 0.0000 0.0000 34250.5204 -148997.9451 299.1183 -183248.4655 -148901.7651 299.3980 17.8337 49.1779 556625.5300 -2.8901 -2.7912 PRESSURE: 128800 -1.80381 -65.7069 -10.9081 -65.7073 104.086 72.6569 -10.9075 72.6566 86.8817 GPRESSURE: 128800 38.2921 -115.002 18.7928 -24.7812 149.082 43.3908 35.1295 129.552 107.698 PRESSAVG: 128800 -56.139 -66.2217 35.8208 -66.2218 60.9099 55.9714 35.8208 55.9714 50.6545 GPRESSAVG: 128800 -56.8188 -66.6105 35.8135 -63.5923 60.4875 55.8235 34.804 54.2676 51.783 TIMING: 128800 CPU: 372.303, 0.00294316/step Wall: 372.303, 0.00294316/step, 3.98242 hours remaining, 203.902344 MB of memory in use. ENERGY: 128800 772.0672 2078.0541 1930.9532 122.9724 -206278.4107 17973.7444 0.0000 0.0000 34255.2943 -149145.3251 299.1600 -183400.6194 -149051.0411 299.7482 63.0548 98.3574 557166.4680 18.4751 18.4839 PRESSURE: 129000 -116.402 -67.4614 -46.6652 -67.4623 148.717 -41.505 -46.6654 -41.5053 42.0186 GPRESSURE: 129000 -57.9482 -81.3082 -69.0932 -23.1839 167.316 -114.312 -60.2569 -113.382 72.4551 PRESSAVG: 129000 -31.8967 -43.7969 62.5793 -43.7969 32.9768 15.8453 62.5792 15.8452 -21.975 GPRESSAVG: 129000 -31.986 -45.3841 64.5426 -44.9703 33.0359 15.633 61.497 14.4394 -22.6896 TIMING: 129000 CPU: 372.88, 0.00288902/step Wall: 372.88, 0.00288902/step, 3.90901 hours remaining, 203.902344 MB of memory in use. ENERGY: 129000 737.3968 2088.2540 1914.6841 108.0047 -206364.0835 17823.2359 0.0000 0.0000 34412.0333 -149280.4748 300.5288 -183692.5081 -149182.0928 299.0373 24.7779 60.6078 557205.1809 -6.9650 -7.2132 PRESSURE: 129200 -358.556 27.1038 27.9727 27.1042 41.6735 50.9579 27.9717 50.9583 -431.134 GPRESSURE: 129200 -331.228 67.9292 -15.5251 -31.5469 79.3012 146.917 32.463 67.8429 -394.691 PRESSAVG: 129200 -68.4923 5.51378 22.1423 5.51375 45.8337 -7.70218 22.1422 -7.7022 -13.8033 GPRESSAVG: 129200 -68.6807 5.14822 20.42 6.02128 45.4864 -5.86515 23.9659 -8.85838 -12.7239 TIMING: 129200 CPU: 373.46, 0.00289857/step Wall: 373.46, 0.00289857/step, 3.92177 hours remaining, 203.902344 MB of memory in use. ENERGY: 129200 759.4072 2095.3770 1963.2299 106.4625 -206471.0254 17690.6988 0.0000 0.0000 34458.5879 -149397.2623 300.9354 -183855.8501 -149307.6764 299.5315 -249.3389 -215.5393 557669.5828 -12.1539 -11.9727 PRESSURE: 129400 -107.668 33.3426 39.0668 33.343 -176.562 -56.0509 39.0677 -56.0518 -108.362 GPRESSURE: 129400 -13.3892 -33.3541 89.9795 131.174 -185.796 -47.7123 -94.5501 -11.9481 -94.3597 PRESSAVG: 129400 -32.8713 -10.0482 -10.1397 -10.0483 5.97601 32.4834 -10.1397 32.4834 21.7376 GPRESSAVG: 129400 -33.4898 -11.1465 -8.64822 -7.63417 6.63964 30.6539 -11.6472 34.0682 21.6363 TIMING: 129400 CPU: 374.044, 0.00291761/step Wall: 374.044, 0.00291761/step, 3.94737 hours remaining, 203.902344 MB of memory in use. ENERGY: 129400 767.1140 2115.8450 1953.9223 111.9601 -206521.2699 17748.3314 0.0000 0.0000 34217.5905 -149606.5065 298.8307 -183824.0970 -149508.6172 298.8132 -130.8639 -97.8483 556315.7671 -1.7193 -1.7380 PRESSURE: 129600 70.7696 -84.7267 -71.5636 -84.7273 -67.774 -17.5874 -71.5639 -17.589 -108.743 GPRESSURE: 129600 117.929 -78.4858 -94.9003 -31.4272 -25.8649 -22.9683 -22.6292 92.542 -94.3242 PRESSAVG: 129600 -7.2661 -14.0849 27.246 -14.0849 -31.4982 2.31371 27.2461 2.31362 53.1424 GPRESSAVG: 129600 -7.29618 -11.8068 27.8606 -16.6359 -31.5983 2.11683 26.8002 3.26025 52.6036 TIMING: 129600 CPU: 374.626, 0.00290969/step Wall: 374.626, 0.00290969/step, 3.93649 hours remaining, 203.902344 MB of memory in use. ENERGY: 129600 743.3391 2111.3726 1959.4386 110.4555 -206395.9491 17920.2408 0.0000 0.0000 34038.3923 -149512.7101 297.2657 -183551.1024 -149412.6263 298.6270 -35.2491 -0.7534 558897.0824 4.7927 4.5697 PRESSURE: 129800 43.9312 93.3505 -80.8514 93.3502 139.783 -77.5469 -80.8513 -77.5457 109.152 GPRESSURE: 129800 68.7722 172.165 -65.6377 205.096 184.689 -50.8274 -31.2081 -43.9025 143.361 PRESSAVG: 129800 29.399 49.0006 8.34252 49.0005 -35.8587 27.1438 8.34258 27.1438 46.1437 GPRESSAVG: 129800 29.0196 48.7386 7.66774 49.3824 -35.8146 28.4928 8.7701 25.5117 46.39 TIMING: 129800 CPU: 375.202, 0.00288015/step Wall: 375.202, 0.00288015/step, 3.89636 hours remaining, 203.902344 MB of memory in use. ENERGY: 129800 738.2725 2163.8886 1931.3060 112.5041 -206458.8923 17888.0421 0.0000 0.0000 34201.3386 -149423.5404 298.6888 -183624.8790 -149333.6749 298.6459 97.6222 132.2740 556359.2940 13.2280 13.1983 PRESSURE: 130000 19.5752 138.905 -93.099 138.906 -69.6806 -79.0865 -93.1011 -79.0858 378.934 GPRESSURE: 130000 53.1704 82.2441 -118.569 147.423 -1.28557 -83.5813 -168.045 -95.7273 381.113 PRESSAVG: 130000 -0.548111 25.464 -28.4387 25.464 -28.0379 58.6218 -28.4388 58.6218 36.6773 GPRESSAVG: 130000 -0.282366 26.1054 -28.8433 25.4285 -28.7988 58.8634 -27.4098 59.89 37.4146 TIMING: 130000 CPU: 375.777, 0.00287495/step Wall: 375.777, 0.00287495/step, 3.88916 hours remaining, 203.902344 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: 130000 760.7100 2116.5821 1958.5752 127.1872 -206359.9063 17954.4571 0.0000 0.0000 34343.0121 -149099.3825 299.9261 -183442.3946 -148998.7761 299.8003 109.6096 144.3326 555854.2668 2.6971 2.7778 PRESSURE: 130200 -114.961 89.5822 -67.1991 89.5837 -80.8901 -34.6531 -67.1992 -34.6516 -118.493 GPRESSURE: 130200 -82.8452 24.5606 36.4427 126.818 -21.1141 6.42986 -106.334 -69.9679 -97.0667 PRESSAVG: 130200 19.8928 9.0235 22.6504 9.0235 -39.7082 20.3011 22.6505 20.3012 42.8536 GPRESSAVG: 130200 21.0167 6.37445 20.7243 10.1376 -39.926 17.9946 23.7178 20.4839 41.9452 TIMING: 130200 CPU: 376.356, 0.00289835/step Wall: 376.356, 0.00289835/step, 3.92067 hours remaining, 203.902344 MB of memory in use. ENERGY: 130200 755.0610 2104.6007 1971.0856 117.5277 -205959.9894 17679.6775 0.0000 0.0000 34269.4935 -149062.5435 299.2840 -183332.0370 -148969.3561 299.6061 -104.7813 -67.0087 558108.3451 7.6794 7.6786 PRESSURE: 130400 -145.338 26.4783 1.71055 26.4788 -40.6286 -6.34988 1.70944 -6.35197 -51.23 GPRESSURE: 130400 -173.92 -23.6928 -33.6581 58.5791 -1.09222 -9.4885 52.4479 6.7717 23.6674 PRESSAVG: 130400 -21.3407 46.4163 -30.5478 46.4163 11.7989 -23.2695 -30.5477 -23.2694 -10.4419 GPRESSAVG: 130400 -21.9547 49.3266 -29.3845 44.4876 11.6878 -22.3742 -30.4145 -24.9771 -9.58627 TIMING: 130400 CPU: 376.932, 0.00287928/step Wall: 376.932, 0.00287928/step, 3.89471 hours remaining, 203.902344 MB of memory in use. ENERGY: 130400 718.8885 2084.2992 1989.6562 108.4198 -206024.1829 17546.3562 0.0000 0.0000 34275.2685 -149301.2945 299.3344 -183576.5630 -149211.8589 299.7408 -79.0655 -50.4484 558099.9939 -6.6612 -6.6177 PRESSURE: 130600 -195.259 22.3142 -36.047 22.3135 -69.5805 -98.8153 -36.0473 -98.8169 104.045 GPRESSURE: 130600 -147.481 4.03385 -40.8736 19.8686 -29.1828 -56.8913 -35.7618 -76.6249 123.217 PRESSAVG: 130600 -31.5123 21.8526 -49.2064 21.8526 11.447 -24.8185 -49.2064 -24.8185 13.5819 GPRESSAVG: 130600 -30.8026 20.548 -47.9008 21.7491 10.6897 -24.4104 -51.0132 -23.451 13.6069 TIMING: 130600 CPU: 377.511, 0.00289388/step Wall: 377.511, 0.00289388/step, 3.9143 hours remaining, 203.902344 MB of memory in use. ENERGY: 130600 749.0227 2124.4605 1941.3108 131.0999 -206138.3663 17781.9082 0.0000 0.0000 34260.8209 -149149.7434 299.2083 -183410.5642 -149055.5211 299.6606 -53.5982 -17.8155 557500.5284 -2.1611 -2.1687 PRESSURE: 130800 189.131 -119.667 -249.22 -119.668 -162.467 -9.50522 -249.219 -9.50549 -110.576 GPRESSURE: 130800 168.629 -167.065 -242.212 -55.8238 -105.843 -59.6156 -237.245 17.2939 -59.4237 PRESSAVG: 130800 4.81059 17.9322 -62.7918 17.9322 20.4782 20.0611 -62.7918 20.0611 -5.10884 GPRESSAVG: 130800 4.12019 17.2573 -64.4336 18.6467 21.7061 20.1753 -62.2395 19.4726 -5.65224 TIMING: 130800 CPU: 378.087, 0.00287987/step Wall: 378.087, 0.00287987/step, 3.89518 hours remaining, 203.968750 MB of memory in use. ENERGY: 130800 746.7042 2174.3161 1929.9709 102.2619 -206241.3536 17891.4942 0.0000 0.0000 34278.4444 -149118.1617 299.3622 -183396.6062 -149025.4138 299.8012 -27.9710 1.1208 557359.6110 6.7266 6.7247 PRESSURE: 131000 -107.291 -40.6775 -67.9352 -40.6771 -41.8662 -85.0224 -67.9344 -85.023 -7.34513 GPRESSURE: 131000 -48.5602 -68.5644 -80.3427 -55.2585 -14.0025 -49.5443 -133.987 -191.691 -5.84798 PRESSAVG: 131000 6.4056 -4.88823 -52.9373 -4.88821 55.3473 20.804 -52.9373 20.804 -38.2974 GPRESSAVG: 131000 6.75862 -3.65892 -51.5911 -5.2489 54.4384 21.0197 -53.2236 20.0105 -37.6193 TIMING: 131000 CPU: 378.664, 0.00288753/step Wall: 378.664, 0.00288753/step, 3.90539 hours remaining, 203.968750 MB of memory in use. ENERGY: 131000 751.7251 2098.2432 1937.9968 119.5320 -206149.5546 17676.0560 0.0000 0.0000 34345.3517 -149220.6497 299.9465 -183566.0014 -149121.0680 300.1670 -52.1675 -22.8036 556619.0967 7.8185 7.8592 PRESSURE: 131200 -26.7649 -13.9719 208.166 -13.9708 -7.84448 36.15 208.166 36.1501 149.926 GPRESSURE: 131200 17.8834 -64.0492 167.377 1.63362 -10.9984 112.908 274.572 -43.8019 216.023 PRESSAVG: 131200 14.3059 11.5381 -14.6725 11.5381 -38.8853 -96.2811 -14.6725 -96.281 41.9691 GPRESSAVG: 131200 13.9202 13.5658 -12.999 10.0123 -38.1986 -95.8844 -13.2584 -95.7767 41.6524 TIMING: 131200 CPU: 379.238, 0.00286613/step Wall: 379.238, 0.00286613/step, 3.87629 hours remaining, 203.968750 MB of memory in use. ENERGY: 131200 763.5192 2124.7877 1922.6539 124.7234 -206423.8068 18006.7969 0.0000 0.0000 34400.8222 -149080.5034 300.4309 -183481.3257 -148982.4782 299.3386 38.4390 74.3027 557480.7572 5.7966 5.7913 PRESSURE: 131400 -226.304 -14.9173 -116.334 -14.9168 -139.585 -136.599 -116.334 -136.599 -93.5295 GPRESSURE: 131400 -191.898 -100.517 -91.9107 60.2591 -69.8893 -149.256 -247.192 -17.3131 -95.6512 PRESSAVG: 131400 33.6819 48.5281 23.2759 48.528 -44.462 -64.7182 23.276 -64.7181 52.338 GPRESSAVG: 131400 34.2854 44.7389 20.703 50.147 -45.6551 -64.9956 21.7383 -64.7927 52.8445 TIMING: 131400 CPU: 379.818, 0.00290031/step Wall: 379.818, 0.00290031/step, 3.92235 hours remaining, 203.968750 MB of memory in use. ENERGY: 131400 776.6615 2082.4549 1956.9157 106.8195 -206282.0917 17768.3165 0.0000 0.0000 34412.0126 -149178.9110 300.5287 -183590.9235 -149085.6452 299.4567 -153.1396 -119.1460 558621.4704 13.8526 13.8249 PRESSURE: 131600 136.327 -46.6596 -91.2248 -46.6596 195.626 -22.6302 -91.2244 -22.6315 42.0642 GPRESSURE: 131600 184.442 -125.99 -110.124 12.0143 188.52 -37.6327 -103.449 -15.9631 105.433 PRESSAVG: 131600 -33.9051 0.373515 -8.01986 0.373544 1.66821 11.5059 -8.0198 11.5059 15.7664 GPRESSAVG: 131600 -34.9908 2.15849 -8.7614 0.965896 3.08563 14.1839 -7.26003 9.97067 15.44 TIMING: 131600 CPU: 380.399, 0.0029085/step Wall: 380.399, 0.0029085/step, 3.93326 hours remaining, 203.968750 MB of memory in use. ENERGY: 131600 744.0866 2129.2116 1966.6629 122.2799 -206279.5067 18030.9875 0.0000 0.0000 34141.1745 -149145.1037 298.1634 -183286.2783 -149063.0518 299.5345 124.6721 159.4652 558221.1670 -5.4901 -5.4884 PRESSURE: 131800 -24.8462 -86.328 49.1679 -86.327 -299.07 7.1984 49.1672 7.19783 164.26 GPRESSURE: 131800 16.67 -108.707 72.2844 -34.3653 -298.129 -21.4667 115.486 -96.1162 222.141 PRESSAVG: 131800 -15.0197 57.191 -21.651 57.1911 18.548 21.9775 -21.651 21.9775 4.67306 GPRESSAVG: 131800 -13.6536 54.9806 -21.0885 57.2687 18.3635 22.5113 -21.0802 21.2843 3.7185 TIMING: 131800 CPU: 380.981, 0.00291008/step Wall: 380.981, 0.00291008/step, 3.93523 hours remaining, 203.968750 MB of memory in use. ENERGY: 131800 717.1794 2114.3164 1984.7365 119.9424 -205860.3408 17552.6386 0.0000 0.0000 34150.3702 -149221.1572 298.2437 -183371.5274 -149124.3023 299.5495 -53.2189 -19.7726 558069.3610 2.7338 2.8095 PRESSURE: 132000 229.622 75.7261 -25.1637 75.7266 67.367 -179.557 -25.1645 -179.556 76.5912 GPRESSURE: 132000 258.914 -20.7667 49.5202 111.345 69.3049 -160.744 -81.9767 -219.528 133.876 PRESSAVG: 132000 -20.3804 -16.8205 9.17015 -16.8203 2.2068 21.7647 9.1702 21.7647 79.6454 GPRESSAVG: 132000 -21.5766 -15.2109 9.83106 -15.6468 2.58322 19.7554 9.42401 21.7282 79.8369 TIMING: 132000 CPU: 381.561, 0.00290011/step Wall: 381.561, 0.00290011/step, 3.92159 hours remaining, 203.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 132000 731.3372 2128.8231 1942.0649 113.9826 -206484.6947 18152.6323 0.0000 0.0000 34175.5832 -149240.2715 298.4639 -183415.8546 -149147.7417 299.0896 124.5266 154.0317 558950.9867 20.4906 20.2812 PRESSURE: 132200 29.0239 35.0887 21.2931 35.089 -104.053 44.0639 21.2935 44.062 -16.32 GPRESSURE: 132200 81.7596 -25.6786 57.5715 53.4798 -64.0873 50.5602 41.6769 70.4382 -9.04785 PRESSAVG: 132200 40.5353 -5.30324 -5.54773 -5.3032 -22.3261 42.694 -5.54775 42.6941 -13.0699 GPRESSAVG: 132200 40.6083 -3.64687 -7.29453 -7.08929 -21.5762 41.3254 -4.39609 41.9084 -14.0235 TIMING: 132200 CPU: 382.14, 0.00289072/step Wall: 382.14, 0.00289072/step, 3.90874 hours remaining, 203.968750 MB of memory in use. ENERGY: 132200 734.9195 2118.6120 1947.7173 106.2718 -205993.8879 17715.0093 0.0000 0.0000 34183.6090 -149187.7489 298.5340 -183371.3579 -149094.3331 299.5993 -30.4496 2.8748 559527.6438 1.7131 1.6695 LDB: ============= START OF LOAD BALANCING ============== 385.527 LDB: ============== END OF LOAD BALANCING =============== 385.527 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 385.529 LDB: ============= START OF LOAD BALANCING ============== 385.818 LDB: Largest compute 4800 load 0.023367 is 19.8% of average load 0.117825 LDB: Average compute 0.001714 is 1.5% of average load 0.117825 LDB: TIME 385.821 LOAD: AVG 0.117825 MAX 0.180764 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.184 MB LDB: TIME 385.821 LOAD: AVG 0.117825 MAX 0.180764 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.184 MB LDB: TIME 385.821 LOAD: AVG 0.117825 MAX 0.180764 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.184 MB LDB: ============== END OF LOAD BALANCING =============== 385.823 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 385.827 PRESSURE: 132400 -108.771 59.4748 -16.8263 59.4754 -167.035 -126.917 -16.8261 -126.917 -383.567 GPRESSURE: 132400 -107.759 2.78413 -79.4914 40.9354 -132.341 -144.123 -60.1357 -177.945 -333.549 PRESSAVG: 132400 51.8962 16.2372 43.5898 16.2371 -1.63079 -40.7742 43.5897 -40.7742 10.365 GPRESSAVG: 132400 51.8897 16.2293 43.6832 16.2879 -1.99756 -40.1983 41.5909 -38.6909 10.2752 TIMING: 132400 CPU: 382.731, 0.00295819/step Wall: 382.731, 0.00295819/step, 3.9998 hours remaining, 204.414062 MB of memory in use. ENERGY: 132400 773.9388 2152.4413 1915.4197 110.6886 -205855.2616 17503.9624 0.0000 0.0000 34198.6934 -149200.1174 298.6657 -183398.8108 -149110.2010 299.8009 -219.7909 -191.2161 558779.2360 20.2101 20.0558 PRESSURE: 132600 132.21 59.6238 -91.312 59.623 117.083 113.566 -91.3118 113.566 -45.905 GPRESSURE: 132600 171.586 47.6237 -101.402 71.5034 162.032 77.7246 -48.1995 215.376 -28.2896 PRESSAVG: 132600 70.7066 6.61617 24.6655 6.61623 12.2947 -2.87371 24.6654 -2.8736 -41.5197 GPRESSAVG: 132600 70.671 4.77721 24.3959 6.25869 11.2228 -2.29444 26.6457 -3.66394 -40.3755 TIMING: 132600 CPU: 383.311, 0.00290098/step Wall: 383.311, 0.00290098/step, 3.92228 hours remaining, 204.414062 MB of memory in use. ENERGY: 132600 747.6051 2120.4386 1946.1725 109.9145 -206509.4511 17933.7232 0.0000 0.0000 34481.4041 -149170.1932 301.1347 -183651.5972 -149083.4888 299.4782 67.7959 101.7763 558703.5860 13.8272 13.8394 PRESSURE: 132800 63.7286 -126.262 102.525 -126.262 120.251 -77.3916 102.525 -77.3911 -40.7901 GPRESSURE: 132800 123.162 -120.008 83.1779 -108.129 127.979 -30.5768 140.534 -66.6681 -3.29704 PRESSAVG: 132800 -26.8173 -4.92375 56.4992 -4.92366 55.0589 -20.0953 56.4992 -20.0954 -45.6621 GPRESSAVG: 132800 -26.4311 -4.28448 58.2142 -3.95235 55.5431 -20.4152 51.9095 -17.3792 -45.8427 TIMING: 132800 CPU: 383.892, 0.00290405/step Wall: 383.892, 0.00290405/step, 3.92628 hours remaining, 204.414062 MB of memory in use. ENERGY: 132800 749.7005 2094.0781 1932.7916 111.3023 -206051.0984 17890.9011 0.0000 0.0000 33998.9525 -149273.3723 296.9213 -183272.3248 -149178.6443 299.4735 47.7299 82.6145 558928.9491 -5.8068 -5.5769 PRESSURE: 133000 67.7814 -72.7445 -184.756 -72.7448 -73.2048 -44.5544 -184.756 -44.556 -326.747 GPRESSURE: 133000 109.107 -76.0772 -237.613 -48.0478 -76.7229 -57.7401 -153.246 3.11629 -257.104 PRESSAVG: 133000 -58.9606 25.4029 39.4218 25.4029 107.806 6.18692 39.4218 6.18686 -61.0071 GPRESSAVG: 133000 -59.7137 25.1233 37.9786 25.5454 108.979 5.35967 41.8183 3.37095 -61.2 TIMING: 133000 CPU: 384.469, 0.002885/step Wall: 384.469, 0.002885/step, 3.90037 hours remaining, 204.414062 MB of memory in use. ENERGY: 133000 715.5621 2097.0598 1935.8140 116.4656 -206152.1800 17782.6310 0.0000 0.0000 34373.9032 -149130.7443 300.1958 -183504.6476 -149029.5445 299.3712 -110.7236 -74.9067 559755.6963 -4.0537 -3.9781 PRESSURE: 133200 -43.7105 81.3095 -126.4 81.3091 -119.645 44.1923 -126.4 44.1933 102.552 GPRESSURE: 133200 -34.9893 97.558 -136.308 79.0093 -18.7789 38.1643 -109.583 33.2127 87.8482 PRESSAVG: 133200 -18.533 4.37428 -66.2387 4.3742 28.2926 -16.3135 -66.2387 -16.3135 -15.7583 GPRESSAVG: 133200 -19.1891 4.2405 -64.5409 3.79157 28.552 -16.5314 -65.7667 -16.3049 -15.4803 TIMING: 133200 CPU: 385.052, 0.00291255/step Wall: 385.052, 0.00291255/step, 3.93744 hours remaining, 204.414062 MB of memory in use. ENERGY: 133200 759.6232 2102.3407 1933.0807 109.4817 -205806.2105 17653.4331 0.0000 0.0000 34237.4166 -149010.8345 299.0039 -183248.2511 -148912.8765 299.1291 -20.2680 11.3600 557110.8433 -1.9996 -2.0392 PRESSURE: 133400 215.318 111.705 -105.763 111.704 -67.1963 59.8812 -105.764 59.8813 60.4445 GPRESSURE: 133400 276.242 50.1337 -138.033 119.731 6.11197 48.9282 -44.3539 73.7518 10.4124 PRESSAVG: 133400 11.85 20.7137 -0.842424 20.7137 -16.0808 -18.7448 -0.8424 -18.745 37.6702 GPRESSAVG: 133400 11.3646 20.777 -1.13325 21.1618 -15.8591 -18.1581 -2.31629 -17.9863 38.0868 TIMING: 133400 CPU: 385.629, 0.00288658/step Wall: 385.629, 0.00288658/step, 3.90218 hours remaining, 204.414062 MB of memory in use. ENERGY: 133400 750.9618 2078.2926 1938.9675 110.0376 -206091.9941 17812.4388 0.0000 0.0000 34280.4311 -149120.8647 299.3795 -183401.2958 -149023.7174 299.6616 69.5220 97.5887 556348.5242 11.1464 11.1974 PRESSURE: 133600 84.3717 136.3 -4.29648 136.299 104.773 61.0312 -4.29639 61.03 -82.2608 GPRESSURE: 133600 130.075 131.186 -53.7023 129.976 106.748 136.804 -106.794 11.9022 -33.0381 PRESSAVG: 133600 24.3499 16.114 8.83966 16.114 -13.6547 9.70658 8.83963 9.70652 24.8308 GPRESSAVG: 133600 24.4175 18.0184 8.5142 16.994 -14.3469 10.3801 9.71246 9.59933 25.4723 TIMING: 133600 CPU: 386.211, 0.00290782/step Wall: 386.211, 0.00290782/step, 3.93073 hours remaining, 204.414062 MB of memory in use. ENERGY: 133600 738.9225 2065.6362 1934.5546 106.9381 -206002.8669 17714.7892 0.0000 0.0000 34309.2837 -149132.7427 299.6315 -183442.0264 -149033.5882 299.7999 35.6280 67.9283 557198.7690 11.8420 11.8476 PRESSURE: 133800 -238.166 -26.7131 -20.3993 -26.7139 -211.61 159.272 -20.3991 159.271 -34.448 GPRESSURE: 133800 -223.23 -30.3161 1.34791 -58.5297 -111.564 98.7486 -2.01918 180.25 -46.7714 PRESSAVG: 133800 -18.6427 -16.4643 -66.1574 -16.4644 28.7717 6.87046 -66.1573 6.87035 14.1536 GPRESSAVG: 133800 -17.5976 -15.7254 -67.3018 -18.5408 28.6952 6.93448 -65.7466 7.12853 13.0319 TIMING: 133800 CPU: 386.793, 0.00291244/step Wall: 386.793, 0.00291244/step, 3.93681 hours remaining, 204.414062 MB of memory in use. ENERGY: 133800 728.2499 2120.1532 1931.2237 111.5707 -205703.3251 17402.8183 0.0000 0.0000 34499.0892 -148910.2202 301.2891 -183409.3094 -148811.7861 299.9768 -161.4079 -127.1884 559068.9793 8.0942 8.0432 PRESSURE: 134000 25.6543 128.617 -41.3692 128.617 -60.6282 -128.121 -41.3685 -128.119 204.524 GPRESSURE: 134000 13.0434 181.822 -70.5926 56.7758 -46.7097 -102.922 -45.0395 -74.0236 306.273 PRESSAVG: 134000 11.9661 8.71157 -40.4592 8.71153 -78.8053 35.6093 -40.4592 35.6095 57.851 GPRESSAVG: 134000 12.2179 8.77732 -39.0749 9.8748 -78.3065 34.6268 -41.2953 36.9309 57.6601 TIMING: 134000 CPU: 387.375, 0.00290723/step Wall: 387.375, 0.00290723/step, 3.92961 hours remaining, 204.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 134000 716.5315 2103.6782 1928.7342 106.0766 -206278.0498 17883.6388 0.0000 0.0000 34487.7980 -149051.5924 301.1905 -183539.3904 -148952.2825 299.4272 56.5168 90.8689 558675.9922 -2.9961 -2.8095 PRESSURE: 134200 130.629 171.958 44.2471 171.958 -93.6415 -108.497 44.2463 -108.496 218.521 GPRESSURE: 134200 104.21 209.204 9.92182 197.829 -8.47142 -99.3863 112.247 -176.007 248.682 PRESSAVG: 134200 28.6154 5.42219 -26.3355 5.42226 -90.4042 -14.2711 -26.3355 -14.2712 46.8266 GPRESSAVG: 134200 28.8232 3.56002 -26.8578 5.55074 -91.2984 -12.492 -24.9612 -15.6285 47.4189 TIMING: 134200 CPU: 387.952, 0.00288789/step Wall: 387.952, 0.00288789/step, 3.9033 hours remaining, 204.414062 MB of memory in use. ENERGY: 134200 759.3833 2097.4557 1929.8269 112.1947 -206325.8717 17963.1631 0.0000 0.0000 34510.4952 -148953.3528 301.3887 -183463.8480 -148851.5472 299.8209 85.1697 114.8068 557636.8738 -4.9874 -5.0188 PRESSURE: 134400 129.839 130.594 13.6668 130.594 198.587 12.1776 13.6669 12.1779 17.2645 GPRESSURE: 134400 174.274 121.194 21.5258 120.056 198.042 -26.3372 -11.1692 40.7893 73.9142 PRESSAVG: 134400 38.1969 54.7041 -75.8908 54.7042 -0.999783 -57.1128 -75.8908 -57.1128 -22.4634 GPRESSAVG: 134400 38.1817 54.0884 -76.1286 54.4211 -1.37566 -58.2445 -74.6508 -57.2771 -21.7225 TIMING: 134400 CPU: 388.529, 0.00288364/step Wall: 388.529, 0.00288364/step, 3.89739 hours remaining, 204.414062 MB of memory in use. ENERGY: 134400 731.3250 2054.4687 1953.6978 113.7287 -205755.8986 17788.0092 0.0000 0.0000 34101.0100 -149013.6592 297.8126 -183114.6693 -148929.5265 299.2180 115.2303 148.7434 557941.1965 4.9112 5.0279 PRESSURE: 134600 -211.929 23.8087 91.4723 23.8092 -92.21 126.766 91.4716 126.767 -25.963 GPRESSURE: 134600 -169.759 2.36836 112.216 45.8667 -70.0335 174.632 51.2644 152.66 16.1764 PRESSAVG: 134600 25.3074 78.4157 -9.43706 78.4157 -19.9897 0.475144 -9.43707 0.475012 -8.0041 GPRESSAVG: 134600 25.5189 79.5191 -10.5348 77.9873 -19.34 0.658176 -9.64552 1.3217 -8.09744 TIMING: 134600 CPU: 389.107, 0.00289194/step Wall: 389.107, 0.00289194/step, 3.90846 hours remaining, 204.414062 MB of memory in use. ENERGY: 134600 716.4266 2041.0221 1918.7314 114.1824 -206238.5511 17846.2170 0.0000 0.0000 34515.3321 -149086.6394 301.4310 -183601.9715 -148983.6628 299.6798 -110.0339 -74.5388 559572.4679 -0.8954 -0.6395 PRESSURE: 134800 209.611 239.659 140.576 239.659 -37.4037 103.882 140.576 103.883 -23.9771 GPRESSURE: 134800 250.514 203.25 144.086 181.428 -53.327 83.747 109.29 137.468 39.069 PRESSAVG: 134800 -0.509502 1.5035 37.8727 1.50347 40.9087 64.1298 37.8728 64.1297 -48.3242 GPRESSAVG: 134800 -0.884072 0.830132 38.6681 2.97556 42.1353 64.258 36.4853 64.3619 -48.9879 TIMING: 134800 CPU: 389.684, 0.00288625/step Wall: 389.684, 0.00288625/step, 3.90061 hours remaining, 204.414062 MB of memory in use. ENERGY: 134800 722.9934 2142.5974 1947.6326 109.0308 -206408.7117 17962.8066 0.0000 0.0000 34402.6332 -149121.0177 300.4468 -183523.6509 -149030.8964 299.4190 49.4102 78.7521 559385.6199 -2.6417 -2.5789 PRESSURE: 135000 -238.281 -24.4617 231.752 -24.4603 -151.38 -181.884 231.752 -181.883 65.8802 GPRESSURE: 135000 -258.285 2.95142 184.024 -6.76148 -138.666 -184.066 171.416 -117.183 158.99 PRESSAVG: 135000 48.0548 22.8945 64.9531 22.8945 -14.3444 40.8132 64.9531 40.8131 -39.2748 GPRESSAVG: 135000 48.037 22.3104 66.4736 22.4643 -15.1694 40.6277 64.0241 41.3523 -38.7303 TIMING: 135000 CPU: 390.264, 0.002896/step Wall: 390.264, 0.002896/step, 3.91362 hours remaining, 204.414062 MB of memory in use. ENERGY: 135000 710.5739 2157.3562 1940.5549 111.9567 -206162.8586 17668.2537 0.0000 0.0000 34314.1335 -149260.0295 299.6739 -183574.1630 -149164.5966 299.6496 -107.9269 -79.3202 558511.6475 -1.8548 -1.9542 PRESSURE: 135200 82.6881 -165.19 -11.3681 -165.191 -76.283 -77.7229 -11.3683 -77.7225 -221.015 GPRESSURE: 135200 63.4236 -135.14 9.30408 -118.864 -53.4024 -76.8051 -1.50725 -114.792 -133.952 PRESSAVG: 135200 -51.1446 -90.8314 22.6239 -90.8313 83.8781 -47.6573 22.6238 -47.6572 26.1782 GPRESSAVG: 135200 -52.2499 -90.6285 20.8949 -88.8352 84.1764 -47.6748 26.1458 -47.9251 26.9729 TIMING: 135200 CPU: 390.843, 0.0028984/step Wall: 390.843, 0.0028984/step, 3.91671 hours remaining, 204.414062 MB of memory in use. ENERGY: 135200 707.0837 2080.2055 1926.7235 124.7566 -206373.3325 17811.9700 0.0000 0.0000 34223.9814 -149498.6119 298.8865 -183722.5933 -149400.4581 298.8079 -71.5367 -41.3101 557126.5772 19.6372 19.6332 PRESSURE: 135400 -435.772 -35.1868 127.859 -35.187 -3.1848 -18.3067 127.86 -18.3065 -148.927 GPRESSURE: 135400 -354.585 -72.1487 161.22 3.93126 42.9574 5.08669 136.406 -68.3443 -181.668 PRESSAVG: 135400 -35.2808 -43.8882 50.5664 -43.8883 -8.30964 12.8597 50.5665 12.8598 61.2289 GPRESSAVG: 135400 -34.6812 -43.5181 51.5635 -45.3246 -7.10576 11.4939 48.0539 12.722 59.0304 TIMING: 135400 CPU: 391.422, 0.00289086/step Wall: 391.422, 0.00289086/step, 3.90635 hours remaining, 204.414062 MB of memory in use. ENERGY: 135400 757.9931 2088.9465 1935.0333 116.1735 -205906.5027 17518.4095 0.0000 0.0000 34085.5397 -149404.4070 297.6775 -183489.9467 -149317.8562 298.2726 -195.9613 -164.4318 558630.6880 5.8795 5.7478 PRESSURE: 135600 -130.872 -61.1121 -40.8118 -61.1128 -238.46 -42.5827 -40.8117 -42.5833 -58.7836 GPRESSURE: 135600 -86.746 -49.1296 -101.575 -118.67 -203.582 40.1228 52.6691 -35.094 -37.8394 PRESSAVG: 135600 -22.6285 -37.8605 19.4241 -37.8604 -30.8486 17.2787 19.4241 17.2787 49.5857 GPRESSAVG: 135600 -22.3951 -35.2254 18.1722 -39.3981 -31.323 19.3125 19.8132 17.0021 50.4047 TIMING: 135600 CPU: 391.999, 0.00288976/step Wall: 391.999, 0.00288976/step, 3.9047 hours remaining, 204.414062 MB of memory in use. ENERGY: 135600 736.9961 2015.3704 1953.9846 118.7571 -206321.9902 17655.6844 0.0000 0.0000 34432.4431 -149408.7545 300.7071 -183841.1977 -149314.5752 298.7465 -142.7052 -109.3892 557592.5455 -1.2971 -1.1045 PRESSURE: 135800 95.6896 102.956 -68.1118 102.957 159.338 -92.5489 -68.112 -92.5491 -194.307 GPRESSURE: 135800 133.569 103.173 -109.636 34.0584 191.531 -85.0896 -57.7402 -108.513 -163.308 PRESSAVG: 135800 -4.02716 8.55231 -1.21926 8.55237 -33.2176 35.0199 -1.21923 35.0199 -3.62465 GPRESSAVG: 135800 -3.35817 7.28227 0.965002 9.67748 -33.0628 35.7084 -0.992248 34.625 -4.0734 TIMING: 135800 CPU: 392.574, 0.00287461/step Wall: 392.574, 0.00287461/step, 3.88408 hours remaining, 204.414062 MB of memory in use. ENERGY: 135800 781.2136 2011.4863 1946.3195 109.4982 -206390.0241 17950.5005 0.0000 0.0000 34171.3817 -149419.6242 298.4272 -183591.0060 -149330.7483 298.4965 20.2403 53.9308 556543.1232 -13.6231 -13.4981 PRESSURE: 136000 -294.752 -76.3172 -69.5262 -76.3178 -173.826 -24.2754 -69.5271 -24.2758 -90.8986 GPRESSURE: 136000 -261.606 -112.132 -11.1194 -31.0447 -138.793 -51.9263 -47.7477 16.5022 -64.316 PRESSAVG: 136000 -11.9875 37.3821 -11.4208 37.3821 11.8887 -8.53543 -11.4208 -8.53529 21.9767 GPRESSAVG: 136000 -12.7359 35.5909 -10.9033 36.5492 12.5599 -10.2366 -10.152 -6.84802 22.1531 TIMING: 136000 CPU: 393.148, 0.00286713/step Wall: 393.148, 0.00286713/step, 3.87381 hours remaining, 204.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 136000 745.2628 2103.7818 1913.7280 113.2888 -205751.6688 17404.4501 0.0000 0.0000 34075.5868 -149395.5705 297.5906 -183471.1573 -149298.7917 298.7232 -186.4920 -154.9051 557694.2728 7.2926 7.3257 PRESSURE: 136200 -277.668 124.031 233.149 124.03 -195.416 -18.1954 233.149 -18.1955 -198.373 GPRESSURE: 136200 -272.568 29.9426 207.37 122.355 -150.01 26.0966 246.774 17.6591 -154.268 PRESSAVG: 136200 -29.3063 0.429127 -11.3281 0.429152 -20.0579 11.122 -11.3281 11.122 11.4797 GPRESSAVG: 136200 -29.5156 0.764304 -12.4609 1.83854 -20.1663 11.9363 -11.0726 10.6855 11.7988 TIMING: 136200 CPU: 393.721, 0.00286505/step Wall: 393.721, 0.00286505/step, 3.87084 hours remaining, 204.414062 MB of memory in use. ENERGY: 136200 719.0198 2115.1412 1924.7436 117.1102 -205948.3236 17347.9914 0.0000 0.0000 34409.3660 -149314.9514 300.5056 -183724.3174 -149221.0449 299.4876 -223.8190 -192.2817 558271.8139 -12.6282 -12.6277 LDB: ============= START OF LOAD BALANCING ============== 397.105 LDB: ============== END OF LOAD BALANCING =============== 397.105 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 397.106 LDB: ============= START OF LOAD BALANCING ============== 397.395 LDB: Largest compute 4822 load 0.023404 is 19.8% of average load 0.117915 LDB: Average compute 0.001705 is 1.4% of average load 0.117915 LDB: TIME 397.397 LOAD: AVG 0.117915 MAX 0.17911 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.211 MB LDB: TIME 397.397 LOAD: AVG 0.117915 MAX 0.17911 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.453 MB LDB: TIME 397.397 LOAD: AVG 0.117915 MAX 0.17911 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 397.399 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 397.403 PRESSURE: 136400 231.123 -128.628 -1.89146 -128.627 24.5446 228.308 -1.89108 228.309 253.933 GPRESSURE: 136400 311.553 -193.681 -76.6456 -188.056 47.8714 152.497 55.1878 184.384 245.985 PRESSAVG: 136400 3.70984 -28.6573 8.22238 -28.6573 -52.7413 48.868 8.2224 48.868 34.0012 GPRESSAVG: 136400 4.20402 -26.97 8.89832 -29.9718 -53.1825 48.0679 9.01612 46.5137 34.2261 TIMING: 136400 CPU: 394.308, 0.00293533/step Wall: 394.308, 0.00293533/step, 3.96563 hours remaining, 204.320312 MB of memory in use. ENERGY: 136400 727.0261 2060.4280 1939.0431 120.2537 -206489.0775 18059.0692 0.0000 0.0000 34478.8740 -149104.3836 301.1126 -183583.2575 -149009.1972 299.1293 169.8668 201.8031 556874.8495 -5.0101 -4.9175 PRESSURE: 136600 -103.335 131.301 53.9582 131.302 -60.809 188.832 53.9579 188.833 -265.67 GPRESSURE: 136600 -109.266 130.287 -9.44974 138.678 11.1239 178.318 51.3994 162.611 -228.607 PRESSAVG: 136600 72.5071 4.728 -27.2018 4.72788 -50.5425 72.5277 -27.2017 72.5277 32.0932 GPRESSAVG: 136600 73.0102 2.33919 -28.4341 6.98185 -50.6983 73.8903 -28.254 74.0878 31.4358 TIMING: 136600 CPU: 394.886, 0.00289204/step Wall: 394.886, 0.00289204/step, 3.90698 hours remaining, 204.578125 MB of memory in use. ENERGY: 136600 763.7828 2126.2115 1925.4339 116.8958 -206001.5830 17697.2798 0.0000 0.0000 34243.1604 -149128.8187 299.0540 -183371.9792 -149035.0433 299.5304 -143.2716 -108.9164 557241.3460 18.0193 17.9159 PRESSURE: 136800 46.8173 -73.533 204.701 -73.5344 -234.588 82.4879 204.7 82.4881 -205.119 GPRESSURE: 136800 146.078 -91.8474 215.122 -72.3164 -256.585 57.1287 214.249 123.346 -191.281 PRESSAVG: 136800 45.7087 43.9772 -3.4817 43.9772 -57.2692 -18.7777 -3.48162 -18.7777 -27.8604 GPRESSAVG: 136800 45.4661 45.7321 -0.379618 42.5834 -57.854 -20.2075 -5.2598 -17.1611 -26.8814 TIMING: 136800 CPU: 395.461, 0.00287605/step Wall: 395.461, 0.00287605/step, 3.88522 hours remaining, 204.648438 MB of memory in use. ENERGY: 136800 763.7980 2075.1726 1927.6831 110.6968 -206144.3751 17718.4282 0.0000 0.0000 34206.0510 -149342.5453 298.7300 -183548.5964 -149254.8282 299.1345 -130.9634 -100.5959 557623.3375 -13.1403 -13.0898 PRESSURE: 137000 193.441 -144.055 65.0001 -144.055 -138.108 85.527 64.9998 85.5266 -87.256 GPRESSURE: 137000 199.827 -114.987 83.676 -96.108 -133.496 168.607 62.5001 24.3797 6.81052 PRESSAVG: 137000 81.0026 22.1409 16.7084 22.1409 -78.617 8.73799 16.7084 8.73798 23.627 GPRESSAVG: 137000 81.1228 21.533 14.836 22.4172 -77.5306 9.99412 19.7671 6.06244 22.199 TIMING: 137000 CPU: 396.036, 0.00287124/step Wall: 396.036, 0.00287123/step, 3.87856 hours remaining, 204.648438 MB of memory in use. ENERGY: 137000 732.9278 2110.2941 1912.7058 123.9550 -206279.2810 17836.5693 0.0000 0.0000 34134.7479 -149428.0810 298.1072 -183562.8290 -149332.2098 299.7167 -10.6409 24.3806 556579.4412 8.6708 8.5971 PRESSURE: 137200 -56.5985 -103.805 30.7014 -103.804 -70.189 78.8456 30.7025 78.8453 93.4006 GPRESSURE: 137200 23.3679 -73.5989 39.99 -65.3446 -67.501 5.93671 106.602 144.603 122.78 PRESSAVG: 137200 24.5072 16.8977 0.601203 16.8978 -92.1037 63.0046 0.601313 63.0046 23.8362 GPRESSAVG: 137200 23.4448 16.1031 1.03081 16.6113 -92.8789 59.8505 -0.802319 65.2237 25.6038 TIMING: 137200 CPU: 396.61, 0.00287341/step Wall: 396.61, 0.00287341/step, 3.88134 hours remaining, 204.648438 MB of memory in use. ENERGY: 137200 750.3941 2063.5693 1965.0920 114.8148 -206606.1359 17911.6174 0.0000 0.0000 34230.4834 -149570.1650 298.9433 -183800.6483 -149478.0079 298.5981 -11.1290 26.2155 555749.3355 -14.5868 -14.6101 PRESSURE: 137400 -185.038 -168.032 -128.335 -168.032 -174.458 34.271 -128.334 34.2718 -122.295 GPRESSURE: 137400 -163.165 -143.172 -153.411 -220.803 -145.683 -58.7643 -78.5363 33.1296 -76.0312 PRESSAVG: 137400 -43.9181 -27.4939 -0.240675 -27.494 33.7483 65.5069 -0.240685 65.5069 9.38011 GPRESSAVG: 137400 -42.2782 -26.796 -0.987116 -27.938 33.612 67.9429 -1.57073 63.2656 8.15601 TIMING: 137400 CPU: 397.183, 0.0028635/step Wall: 397.183, 0.0028635/step, 3.86779 hours remaining, 204.648438 MB of memory in use. ENERGY: 137400 738.5193 2069.2839 1944.6597 112.8774 -205956.0768 17326.8635 0.0000 0.0000 34136.3146 -149627.5583 298.1209 -183763.8729 -149524.1313 298.1541 -160.5969 -128.2930 556649.8351 -0.2632 -0.1701 PRESSURE: 137600 -59.7352 3.97018 51.8376 3.96998 -342.891 -110.058 51.8381 -110.057 -106.567 GPRESSURE: 137600 -60.7425 -4.15577 43.9746 -36.2966 -271.612 -135.878 92.2601 -33.1621 -90.9581 PRESSAVG: 137600 -43.5447 21.0835 -24.0372 21.0836 -27.3434 -27.6274 -24.0372 -27.6274 75.9827 GPRESSAVG: 137600 -42.5507 20.6805 -23.9848 22.2874 -28.3336 -27.0942 -22.4193 -24.8704 75.9237 TIMING: 137600 CPU: 397.761, 0.00289093/step Wall: 397.761, 0.00289093/step, 3.90468 hours remaining, 204.703125 MB of memory in use. ENERGY: 137600 752.9278 2079.3656 1914.2266 106.3428 -206703.9767 17716.1371 0.0000 0.0000 34285.8382 -149849.1385 299.4268 -184134.9767 -149755.2781 298.1657 -169.7308 -141.1043 556374.5289 1.6982 1.6798 PRESSURE: 137800 -377.575 -163.446 -205.492 -163.448 -413.985 -281.617 -205.493 -281.617 113.388 GPRESSURE: 137800 -330.384 -166.86 -166.659 -125.926 -364.261 -216.337 -188.917 -219.176 110.571 PRESSAVG: 137800 -7.70803 17.0824 -15.6673 17.0824 -23.0786 -14.6024 -15.6671 -14.6025 1.10017 GPRESSAVG: 137800 -8.61618 16.2943 -15.121 16.6848 -23.3494 -14.8755 -19.1537 -16.6377 1.74624 TIMING: 137800 CPU: 398.334, 0.00286226/step Wall: 398.334, 0.00286226/step, 3.8658 hours remaining, 204.703125 MB of memory in use. ENERGY: 137800 783.3721 2061.7839 1932.0093 105.9748 -206239.1518 17625.6262 0.0000 0.0000 34060.0254 -149670.3601 297.4547 -183730.3855 -149582.1338 297.6889 -226.0572 -194.6917 557328.0809 -9.8955 -10.0731 PRESSURE: 138000 31.2073 -131.509 -49.0131 -131.509 61.2893 131.743 -49.0131 131.743 263.773 GPRESSURE: 138000 100.398 -192.986 -53.5724 -54.7812 58.3651 191.461 -39.8961 188.498 298.276 PRESSAVG: 138000 -24.5938 -19.6823 -6.73215 -19.6823 30.9606 7.88281 -6.73212 7.88277 -23.1285 GPRESSAVG: 138000 -23.7125 -22.6105 -6.39421 -16.7443 30.4726 9.15855 -3.81189 7.14002 -22.9499 TIMING: 138000 CPU: 398.909, 0.00287499/step Wall: 398.909, 0.00287499/step, 3.88284 hours remaining, 204.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 138000 731.0488 2066.1814 1934.2636 119.6617 -206911.2120 18194.4432 0.0000 0.0000 34161.7720 -149703.8414 298.3433 -183865.6134 -149611.9774 297.5720 118.7564 152.3465 555280.4389 -5.5872 -5.3966 PRESSURE: 138200 -170.147 -42.4444 95.6883 -42.4458 -95.6765 -100.12 95.6885 -100.121 -188.617 GPRESSURE: 138200 -173.629 -87.2828 66.5609 21.2459 -80.0589 23.5678 101.79 -48.2918 -104.483 PRESSAVG: 138200 -20.4232 41.0517 -2.2231 41.0516 12.0649 2.17415 -2.22312 2.17424 34.547 GPRESSAVG: 138200 -20.1689 45.4065 -2.57322 36.8962 12.0521 2.11054 -4.22588 2.34073 33.9613 TIMING: 138200 CPU: 399.484, 0.00287386/step Wall: 399.484, 0.00287386/step, 3.88115 hours remaining, 204.703125 MB of memory in use. ENERGY: 138200 751.6770 2057.7255 1956.1320 105.6525 -206160.7969 17674.1621 0.0000 0.0000 34119.6921 -149495.7558 297.9758 -183615.4479 -149399.6566 298.0745 -151.4801 -119.3901 557529.2717 8.7295 8.6148 PRESSURE: 138400 -67.1494 -139.728 -3.96613 -139.729 -65.1131 -217.693 -3.96556 -217.693 -140.519 GPRESSURE: 138400 -96.7748 -147.587 116.197 -190.404 -16.3213 -141.106 -76.8827 -250.274 -81.423 PRESSAVG: 138400 -41.7608 23.8635 -39.9875 23.8635 28.8539 5.85502 -39.9875 5.85506 -12.5295 GPRESSAVG: 138400 -42.5225 23.4079 -38.5244 25.2357 30.3385 2.78744 -40.1977 6.98361 -13.448 TIMING: 138400 CPU: 400.059, 0.00287548/step Wall: 400.059, 0.00287548/step, 3.88317 hours remaining, 204.703125 MB of memory in use. ENERGY: 138400 721.7623 2065.3846 1955.2314 114.2006 -206238.6727 17604.5457 0.0000 0.0000 34207.5480 -149570.0002 298.7430 -183777.5482 -149476.5691 298.4170 -90.9270 -64.8397 556561.7498 -8.4788 -8.5440 PRESSURE: 138600 -12.0698 -91.9043 -50.5944 -91.9045 136.084 123.814 -50.5941 123.812 189.894 GPRESSURE: 138600 71.8437 -135.681 -131.76 -40.7925 130.905 126.813 74.3381 156.158 224.214 PRESSAVG: 138600 39.4961 16.4028 -33.944 16.4028 -9.20192 23.51 -33.944 23.5099 -39.9282 GPRESSAVG: 138600 39.9733 14.6685 -35.8606 16.4725 -9.42797 25.0207 -33.1713 25.2743 -40.0949 TIMING: 138600 CPU: 400.634, 0.00287552/step Wall: 400.634, 0.00287552/step, 3.88306 hours remaining, 204.703125 MB of memory in use. ENERGY: 138600 714.3331 2131.7601 1963.6139 113.6636 -206697.9914 18026.5655 0.0000 0.0000 34216.5698 -149531.4853 298.8218 -183748.0551 -149434.8469 299.0770 104.6362 142.3210 557254.8834 -3.2114 -3.1832 PRESSURE: 138800 -52.3303 60.9243 71.7852 60.9247 -100.142 85.6327 71.7855 85.6327 -39.8199 GPRESSURE: 138800 -62.2668 78.2221 77.4929 88.6 -36.836 87.9333 24.1442 49.0503 -1.03191 PRESSAVG: 138800 2.73597 -15.0026 -5.09585 -15.0027 4.54107 31.4949 -5.09588 31.4949 10.4023 GPRESSAVG: 138800 0.723261 -12.0224 -5.49521 -16.5323 5.92973 31.2676 -4.84986 31.0581 10.6607 TIMING: 138800 CPU: 401.213, 0.00289731/step Wall: 401.213, 0.00289731/step, 3.91233 hours remaining, 204.750000 MB of memory in use. ENERGY: 138800 759.6772 2090.9212 1929.0708 128.8248 -206092.4490 17683.9939 0.0000 0.0000 34005.0966 -149494.8646 296.9750 -183499.9612 -149399.2059 298.8402 -64.0974 -33.3782 557156.0195 5.8931 5.7712 PRESSURE: 139000 274.72 128.334 43.8424 128.334 -63.8341 -60.7104 43.8422 -60.7095 82.2944 GPRESSURE: 139000 259.829 61.8622 17.4076 204.872 21.4436 -52.3969 -17.2759 -45.189 114.927 PRESSAVG: 139000 11.3259 41.7776 13.8647 41.7776 -43.4727 -26.7893 13.8647 -26.7892 37.7188 GPRESSAVG: 139000 13.8036 41.0574 12.646 43.1551 -45.4618 -26.3756 12.2269 -27.6143 37.6321 TIMING: 139000 CPU: 401.792, 0.00289622/step Wall: 401.792, 0.00289622/step, 3.91071 hours remaining, 204.750000 MB of memory in use. ENERGY: 139000 757.3001 2107.0712 1933.9168 102.2685 -206265.5743 17944.7523 0.0000 0.0000 34096.6441 -149323.6212 297.7745 -183420.2653 -149226.1203 298.6260 97.7269 132.0666 557132.5799 1.8573 1.9913 PRESSURE: 139200 -162.282 193.743 -43.0253 193.742 -39.7591 57.9503 -43.0242 57.9504 -365.678 GPRESSURE: 139200 -103.357 279.864 -36.1982 101.896 -60.1776 13.1832 35.4454 107.752 -308.604 PRESSAVG: 139200 43.53 46.3193 10.1476 46.3194 -12.6714 54.7731 10.1475 54.7729 -9.26409 GPRESSAVG: 139200 43.0806 47.5308 12.6669 43.679 -12.0334 55.2257 10.6707 53.7136 -9.41124 TIMING: 139200 CPU: 402.37, 0.00289006/step Wall: 402.37, 0.00289006/step, 3.90222 hours remaining, 204.750000 MB of memory in use. ENERGY: 139200 756.4981 2054.2593 1909.8575 119.6614 -206121.0295 17640.7002 0.0000 0.0000 34484.0310 -149156.0220 301.1576 -183640.0530 -149054.3539 299.4733 -189.2397 -157.3794 559326.7510 7.1982 7.2120 PRESSURE: 139400 27.6768 -158.516 -226.351 -158.515 -214.791 -68.9803 -226.35 -68.9828 -41.0395 GPRESSURE: 139400 87.4238 -201.035 -262.889 -162.54 -187.318 -113.26 -177.39 -89.9255 -23.9025 PRESSAVG: 139400 14.5686 86.3752 17.5295 86.3751 -13.4813 9.31921 17.5296 9.31914 -5.68748 GPRESSAVG: 139400 13.9662 83.4888 16.7156 89.7285 -13.484 9.17387 17.6519 11.3507 -4.90592 TIMING: 139400 CPU: 402.948, 0.00288605/step Wall: 402.948, 0.00288605/step, 3.89665 hours remaining, 204.750000 MB of memory in use. ENERGY: 139400 711.6836 2093.1835 1941.4359 117.2013 -206169.2310 17804.9992 0.0000 0.0000 34350.8335 -149149.8941 299.9944 -183500.7276 -149055.8011 299.2939 -76.0513 -41.2656 558788.1854 -1.5334 -1.4746 PRESSURE: 139600 106.681 280.757 11.0323 280.757 69.1717 215.756 11.0324 215.758 -65.6231 GPRESSURE: 139600 132.79 233.363 23.9447 234.477 63.1109 175.317 27.7936 204.323 12.3368 PRESSAVG: 139600 5.59358 25.3342 6.03266 25.3342 3.44336 10.2685 6.03263 10.2685 -43.3249 GPRESSAVG: 139600 5.80453 26.7321 6.16765 24.5595 3.47698 10.0415 8.8794 9.23418 -43.3088 TIMING: 139600 CPU: 403.528, 0.00290213/step Wall: 403.528, 0.00290213/step, 3.9182 hours remaining, 204.750000 MB of memory in use. ENERGY: 139600 748.3951 2100.2042 1931.3541 113.2357 -206154.1021 17876.6771 0.0000 0.0000 34270.1345 -149114.1014 299.2896 -183384.2359 -149009.8863 299.5313 36.7430 69.4125 557625.2970 -11.4293 -11.3424 PRESSURE: 139800 157.132 16.141 92.0847 16.141 -198.607 -62.7384 92.0847 -62.7395 35.0006 GPRESSURE: 139800 171.205 53.0877 174.391 -0.486231 -130.522 -188.905 4.81314 13.9413 51.0807 PRESSAVG: 139800 -10.9884 49.252 20.1123 49.2521 -7.86615 23.2008 20.1123 23.2009 55.2066 GPRESSAVG: 139800 -10.8808 49.7403 18.4389 49.8272 -6.74121 22.6143 16.9457 25.5487 54.5481 TIMING: 139800 CPU: 404.108, 0.00289793/step Wall: 404.108, 0.00289793/step, 3.91236 hours remaining, 204.750000 MB of memory in use. ENERGY: 139800 725.8338 2091.3552 1970.0800 115.7916 -205655.1030 17780.1988 0.0000 0.0000 34028.3077 -148943.5359 297.1777 -182971.8436 -148845.0276 299.8642 -2.1583 30.5880 558118.7204 12.1173 12.3087 PRESSURE: 140000 0.457738 45.0205 -49.7975 45.0204 -136.796 -166.185 -49.7974 -166.185 -185.861 GPRESSURE: 140000 24.3056 72.7547 -178.568 47.6481 -90.5918 -127.465 45.3262 -201.239 -158.666 PRESSAVG: 140000 -49.2555 46.2115 -3.2661 46.2114 -59.2255 24.063 -3.26611 24.0631 54.9334 GPRESSAVG: 140000 -48.2439 45.7345 -1.88211 44.8858 -60.4859 25.3942 -2.63771 23.2867 55.1552 TIMING: 140000 CPU: 404.684, 0.00288361/step Wall: 404.684, 0.00288361/step, 3.89287 hours remaining, 204.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 140000 772.9785 2072.6598 1941.6065 116.7819 -206025.9214 17577.5942 0.0000 0.0000 34485.7199 -149058.5805 301.1724 -183544.3004 -148960.0702 299.6908 -107.3997 -74.9842 556781.4545 -17.8492 -17.8582 PRESSURE: 140200 -137.827 88.0833 93.8834 88.0835 -197.427 164.963 93.8833 164.965 -198.684 GPRESSURE: 140200 -97.2046 119.195 84.5033 135.59 -204.915 169.473 114.493 245.37 -131.259 PRESSAVG: 140200 -41.508 31.1323 37.2046 31.1324 -18.36 17.2201 37.2045 17.2201 43.768 GPRESSAVG: 140200 -41.8501 32.519 35.1027 31.2255 -16.5632 16.5951 37.2719 15.1857 42.2029 TIMING: 140200 CPU: 405.266, 0.00290904/step Wall: 405.266, 0.00290904/step, 3.92704 hours remaining, 204.750000 MB of memory in use. ENERGY: 140200 795.7327 2087.9054 1962.4950 123.0141 -206071.5990 17582.7517 0.0000 0.0000 34291.9779 -149227.7222 299.4804 -183519.7001 -149128.4004 299.3010 -177.9792 -144.4594 557894.7356 -5.3667 -5.4034 LDB: ============= START OF LOAD BALANCING ============== 408.652 LDB: ============== END OF LOAD BALANCING =============== 408.653 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 408.654 LDB: ============= START OF LOAD BALANCING ============== 408.944 LDB: Largest compute 4820 load 0.022829 is 19.4% of average load 0.117797 LDB: Average compute 0.001707 is 1.4% of average load 0.117797 LDB: TIME 408.946 LOAD: AVG 0.117797 MAX 0.180833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.797 MB LDB: TIME 408.946 LOAD: AVG 0.117797 MAX 0.180833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.855 MB LDB: TIME 408.946 LOAD: AVG 0.117797 MAX 0.180833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.855 MB LDB: ============== END OF LOAD BALANCING =============== 408.948 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 408.952 PRESSURE: 140400 -43.859 40.0104 -36.8212 40.0107 136.232 119.593 -36.8207 119.595 212.207 GPRESSURE: 140400 -52.4673 55.4776 -44.3761 25.4598 187.892 97.1451 -48.2365 128.914 273.118 PRESSAVG: 140400 50.9559 21.0114 24.4879 21.0113 -4.1042 8.43766 24.488 8.43763 -36.3746 GPRESSAVG: 140400 51.3729 19.5051 26.461 20.3434 -6.57983 6.13721 23.8918 9.54077 -34.8765 TIMING: 140400 CPU: 405.857, 0.00295231/step Wall: 405.857, 0.00295231/step, 3.98529 hours remaining, 204.414062 MB of memory in use. ENERGY: 140400 781.3803 2078.0267 1950.9112 109.1745 -206366.1059 18079.7427 0.0000 0.0000 34116.4057 -149250.4648 297.9471 -183366.8705 -149157.3151 298.9309 101.5268 136.1808 559089.9407 3.4924 3.3055 PRESSURE: 140600 -89.7673 -137.205 76.4544 -137.206 -122.723 70.9265 76.4547 70.9265 367.913 GPRESSURE: 140600 -49.2585 -126.029 24.5343 -84.4198 -73.9258 105.684 160.779 68.7484 376.569 PRESSAVG: 140600 -2.33602 -8.80401 21.9586 -8.80402 33.1795 15.7812 21.9585 15.7812 -3.53579 GPRESSAVG: 140600 -3.3964 -10.535 20.7152 -7.04268 34.6724 18.576 22.5344 14.6174 -3.38397 TIMING: 140600 CPU: 406.436, 0.00289665/step Wall: 406.436, 0.00289665/step, 3.90999 hours remaining, 204.617188 MB of memory in use. ENERGY: 140600 729.6848 2100.1842 1932.5498 114.6289 -206138.1618 17930.9096 0.0000 0.0000 34178.9638 -149151.2407 298.4934 -183330.2045 -149054.9833 298.9130 51.8077 84.4616 558903.7907 9.1026 9.2973 PRESSURE: 140800 -364.11 9.31675 23.5058 9.31775 -154.268 64.0531 23.5045 64.0526 -38.9319 GPRESSURE: 140800 -371.091 -5.42017 41.9453 -118.264 -82.8274 21.031 24.577 -15.3603 -11.9649 PRESSAVG: 140800 24.8001 -27.825 65.9109 -27.825 5.47602 5.17123 65.9109 5.17118 -20.0816 GPRESSAVG: 140800 25.5977 -26.6865 64.4759 -27.0585 5.32268 6.16899 65.9515 6.51932 -20.5465 TIMING: 140800 CPU: 407.012, 0.00287855/step Wall: 407.012, 0.00287855/step, 3.8854 hours remaining, 204.617188 MB of memory in use. ENERGY: 140800 738.3570 2126.4507 1935.8216 112.0178 -205552.3996 17383.2872 0.0000 0.0000 34163.3120 -149093.1534 298.3567 -183256.4654 -148996.2216 299.5341 -185.7700 -155.2945 557830.5446 3.3982 3.4580 PRESSURE: 141000 -111.722 118.687 -0.26902 118.689 -147.66 -54.0316 -0.268791 -54.0324 105.204 GPRESSURE: 141000 -67.2706 141.544 96.3791 74.1372 -111.982 -88.7499 -85.005 -64.466 130.6 PRESSAVG: 141000 -16.0606 22.3947 59.0072 22.3947 -35.7975 -3.95778 59.0073 -3.9578 27.508 GPRESSAVG: 141000 -16.1641 24.1217 59.7823 19.2134 -36.7627 -3.57674 58.9922 -3.88657 28.5695 TIMING: 141000 CPU: 407.592, 0.00290354/step Wall: 407.592, 0.00290354/step, 3.91897 hours remaining, 204.617188 MB of memory in use. ENERGY: 141000 737.5518 2107.1999 1925.5104 117.7285 -205931.4152 17595.1917 0.0000 0.0000 34222.4312 -149225.8016 298.8730 -183448.2329 -149129.2191 299.3420 -51.3928 -16.2177 557063.1414 -8.1167 -8.1191 PRESSURE: 141200 -121.298 77.2381 33.2027 77.2392 -93.174 -14.0807 33.2024 -14.0821 -4.72512 GPRESSURE: 141200 -103.594 110.664 20.9602 62.1431 -41.793 21.8268 -18.6334 -41.7309 17.0712 PRESSAVG: 141200 -11.1057 76.4045 -41.0636 76.4045 59.8074 -11.0427 -41.0635 -11.0426 -13.9326 GPRESSAVG: 141200 -10.7214 76.3385 -40.7306 75.094 60.4155 -11.5414 -43.2701 -10.7479 -14.7539 TIMING: 141200 CPU: 408.168, 0.00287681/step Wall: 408.168, 0.00287681/step, 3.88273 hours remaining, 204.617188 MB of memory in use. ENERGY: 141200 762.3346 2118.2207 1919.2901 125.3186 -206466.7262 17918.9157 0.0000 0.0000 34325.0954 -149297.5512 299.7696 -183622.6466 -149207.6807 299.1635 -73.0656 -42.7721 557616.6506 11.5897 11.6467 PRESSURE: 141400 -131.47 -17.3828 114.139 -17.3831 -342.6 -154.816 114.138 -154.816 -110.195 GPRESSURE: 141400 -66.6996 3.05455 -58.6181 49.0501 -288.067 -176.701 223.351 -132.912 -133.623 PRESSAVG: 141400 -28.0534 -0.0307881 0.159043 -0.0307476 39.7401 33.1662 0.15906 33.1662 11.0792 GPRESSAVG: 141400 -28.0014 -0.775919 0.079634 2.75037 39.4677 32.703 -0.535428 34.2536 11.3231 TIMING: 141400 CPU: 408.746, 0.00288928/step Wall: 408.746, 0.00288928/step, 3.8994 hours remaining, 204.617188 MB of memory in use. ENERGY: 141400 755.8063 2073.0898 1967.0930 110.6009 -205747.0872 17386.8601 0.0000 0.0000 34334.8639 -149118.7732 299.8549 -183453.6371 -149022.6447 299.4404 -194.7547 -162.7964 557811.7700 7.5886 7.5965 PRESSURE: 141600 154.298 78.6969 89.6466 78.6984 85.225 -53.8682 89.6468 -53.8695 -79.0332 GPRESSURE: 141600 204.838 12.786 99.9446 111.277 157.808 -48.1219 76.9341 -24.4979 -98.7873 PRESSAVG: 141600 24.0784 31.6804 -3.56427 31.6804 -28.8905 31.5441 -3.56428 31.544 6.63864 GPRESSAVG: 141600 22.9346 31.2221 -5.17825 30.4131 -27.7092 31.7846 -2.96082 29.1624 6.09902 TIMING: 141600 CPU: 409.322, 0.00288396/step Wall: 409.322, 0.00288396/step, 3.89207 hours remaining, 204.617188 MB of memory in use. ENERGY: 141600 753.2210 2142.3772 1953.9723 124.7967 -205762.5362 17733.8013 0.0000 0.0000 34072.8166 -148981.5511 297.5664 -183054.3677 -148897.4810 299.3205 53.4966 87.9527 557644.2978 0.6089 0.4415 PRESSURE: 141800 272.142 -43.5604 -99.7697 -43.5596 109.198 -22.1263 -99.7686 -22.1254 254.149 GPRESSURE: 141800 325.414 -31.2257 -53.8959 38.4786 151.233 -20.9854 -23.612 -33.5244 252.572 PRESSAVG: 141800 8.88961 -12.0983 -80.6877 -12.0983 -9.03222 -0.859953 -80.6876 -0.859937 9.6749 GPRESSAVG: 141800 8.21757 -13.7771 -80.1497 -12.0746 -9.00782 0.635089 -79.3464 -0.227379 9.67045 TIMING: 141800 CPU: 409.903, 0.00290118/step Wall: 409.903, 0.00290118/step, 3.91514 hours remaining, 204.617188 MB of memory in use. ENERGY: 141800 690.5936 2054.1057 1920.4480 114.7302 -206196.7576 18095.8153 0.0000 0.0000 34385.2453 -148935.8194 300.2949 -183321.0648 -148835.8144 300.0709 211.8295 243.0733 558112.0672 3.1774 2.9601 PRESSURE: 142000 -218.409 31.5972 -107.544 31.5974 -67.2471 -47.6733 -107.545 -47.6722 35.7615 GPRESSURE: 142000 -161.306 126.743 -146.797 -27.09 -50.1645 7.88266 -109.051 -119.989 63.6205 PRESSAVG: 142000 -40.8897 -13.3697 -39.0002 -13.3697 -13.059 -12.0323 -39.0002 -12.0324 30.4543 GPRESSAVG: 142000 -40.548 -12.5948 -39.1177 -14.0403 -14.1708 -13.7351 -38.4635 -11.9596 31.3241 TIMING: 142000 CPU: 410.487, 0.00292286/step Wall: 410.487, 0.00292286/step, 3.94423 hours remaining, 204.617188 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: 142000 728.8491 2100.4241 1959.0577 121.9202 -205876.2905 17614.1241 0.0000 0.0000 34315.2372 -149036.6781 299.6835 -183351.9153 -148941.6261 300.0411 -83.2983 -49.2833 558986.3165 -7.8315 -7.7983 PRESSURE: 142200 -125.632 71.6529 39.8002 71.6535 215.711 102.275 39.7992 102.274 -76.4641 GPRESSURE: 142200 -123.927 125.544 -29.3753 33.479 264.333 68.9782 80.7254 126.644 -42.1539 PRESSAVG: 142200 -10.7124 -9.54737 -14.7884 -9.54739 -6.01789 -5.18485 -14.7883 -5.18488 31.5459 GPRESSAVG: 142200 -10.4443 -8.36056 -13.9303 -8.49044 -6.63897 -4.89863 -17.9473 -4.5036 32.0014 TIMING: 142200 CPU: 411.069, 0.00290951/step Wall: 411.069, 0.00290951/step, 3.92606 hours remaining, 204.617188 MB of memory in use. ENERGY: 142200 772.3916 2056.0669 1940.9814 115.8161 -205987.6391 17928.3222 0.0000 0.0000 34113.4633 -149060.5976 297.9214 -183174.0609 -148961.4896 299.5148 4.5383 32.7507 558205.4670 4.9385 4.9727 PRESSURE: 142400 -20.3307 -62.9205 -67.0083 -62.9217 -309.595 53.7702 -67.0089 53.7699 -70.359 GPRESSURE: 142400 45.3568 -75.3912 -43.499 -38.8289 -265.139 16.0465 -41.975 144.62 -72.4638 PRESSAVG: 142400 -34.042 31.4098 -35.0744 31.4098 -18.1858 17.2464 -35.0744 17.2465 26.298 GPRESSAVG: 142400 -33.617 26.548 -37.0193 32.9479 -17.5062 17.627 -34.0683 16.2059 25.1784 TIMING: 142400 CPU: 411.648, 0.0028921/step Wall: 411.648, 0.0028921/step, 3.90241 hours remaining, 204.617188 MB of memory in use. ENERGY: 142400 766.6558 2094.1259 1911.8949 109.1315 -205895.6025 17672.2972 0.0000 0.0000 34280.8109 -149060.6862 299.3828 -183341.4972 -148969.1856 299.8311 -133.4281 -97.4153 557584.1157 -8.6433 -8.6483 PRESSURE: 142600 31.7221 27.5392 -115.866 27.5387 167.263 153.283 -115.866 153.281 23.1016 GPRESSURE: 142600 7.84302 -64.0979 -103.388 139.459 239.444 117.844 -71.8657 102.992 73.257 PRESSAVG: 142600 28.3827 32.0538 20.3665 32.0538 -43.5378 15.8551 20.3665 15.8551 69.033 GPRESSAVG: 142600 27.9854 34.8104 22.4326 32.2795 -42.9881 15.3913 20.1029 15.9445 68.4819 TIMING: 142600 CPU: 412.223, 0.00287507/step Wall: 412.223, 0.00287507/step, 3.87927 hours remaining, 204.617188 MB of memory in use. ENERGY: 142600 741.8567 2098.8817 1949.0917 109.2871 -206137.4598 18030.3500 0.0000 0.0000 34267.1354 -148940.8572 299.2634 -183207.9926 -148839.9802 299.6891 74.0290 106.8480 557688.4007 17.9593 17.8264 PRESSURE: 142800 -218.535 -91.9746 188.426 -91.9747 -190.521 -150.238 188.425 -150.239 -293.133 GPRESSURE: 142800 -175.598 -33.2904 168.382 2.51757 -167.483 -16.3912 205.538 -145.054 -250.085 PRESSAVG: 142800 -22.8693 3.41329 47.3715 3.41317 -5.02676 10.0311 47.3714 10.031 31.8152 GPRESSAVG: 142800 -23.0487 2.04456 49.5062 2.28008 -5.7479 11.7852 45.6128 9.02646 32.6871 TIMING: 142800 CPU: 412.798, 0.00287511/step Wall: 412.798, 0.00287511/step, 3.87917 hours remaining, 204.617188 MB of memory in use. ENERGY: 142800 746.2834 2182.7595 1920.4660 108.5654 -205209.0576 17200.0089 0.0000 0.0000 34258.7699 -148792.2045 299.1904 -183050.9744 -148696.5098 300.0692 -234.0627 -197.7221 557714.1800 1.3064 1.2968 PRESSURE: 143000 -108.621 14.6433 72.9353 14.6432 15.1821 -34.9207 72.9349 -34.9237 5.77306 GPRESSURE: 143000 -70.0956 -10.9968 63.8915 14.9416 32.883 -1.09585 66.0743 -33.9301 45.092 PRESSAVG: 143000 -40.4822 -3.56796 64.0897 -3.56802 29.1086 38.0266 64.0898 38.0267 5.61132 GPRESSAVG: 143000 -40.0141 -2.0759 59.7345 -3.12962 28.4034 37.4793 66.2176 39.1775 4.94389 TIMING: 143000 CPU: 413.372, 0.00287312/step Wall: 413.372, 0.00287312/step, 3.87632 hours remaining, 204.617188 MB of memory in use. ENERGY: 143000 751.9678 2047.1851 1967.5529 117.6129 -205826.6109 17585.5830 0.0000 0.0000 34494.5155 -148862.1937 301.2492 -183356.7092 -148771.3463 300.1890 -29.2219 2.6265 556447.4038 -1.9208 -2.2223 PRESSURE: 143200 82.4961 45.2037 -106.065 45.2044 -1.80905 145.406 -106.065 145.408 -28.6364 GPRESSURE: 143200 104.784 49.724 -69.9022 18.9464 -8.08828 26.8221 -106.074 127.709 51.9555 PRESSAVG: 143200 -6.12393 -30.8442 9.00129 -30.8442 -21.4189 28.7862 9.00127 28.7863 0.356822 GPRESSAVG: 143200 -6.35973 -30.9871 10.6263 -30.1673 -21.4075 26.5295 10.1349 28.6747 -0.015427 TIMING: 143200 CPU: 413.954, 0.00290963/step Wall: 413.954, 0.00290963/step, 3.92542 hours remaining, 204.617188 MB of memory in use. ENERGY: 143200 737.2720 2076.0472 1943.4945 118.2043 -205690.1392 17637.9480 0.0000 0.0000 34395.7838 -148781.3893 300.3869 -183177.1731 -148681.0493 301.1603 17.3502 49.5503 557023.6493 -9.0620 -9.2609 PRESSURE: 143400 -204.801 91.7991 -80.5531 91.7985 -74.6165 146.657 -80.5532 146.656 85.5447 GPRESSURE: 143400 -78.5524 142.497 -99.3191 99.6227 -68.8379 226.321 -91.8043 166.367 52.278 PRESSAVG: 143400 -16.161 15.9382 9.53405 15.9381 -30.4448 34.1325 9.53408 34.1324 9.02048 GPRESSAVG: 143400 -15.9345 15.4797 9.5243 15.1191 -30.4175 36.9875 8.39922 32.1845 8.56544 TIMING: 143400 CPU: 414.533, 0.0028946/step Wall: 414.533, 0.0028946/step, 3.90497 hours remaining, 204.617188 MB of memory in use. ENERGY: 143400 750.1929 2083.2376 1948.3223 114.0972 -205835.8115 17726.6044 0.0000 0.0000 34315.9883 -148897.3687 299.6901 -183213.3570 -148800.1423 299.8877 -64.6244 -31.7041 557184.7076 -12.5285 -12.5955 PRESSURE: 143600 -193.524 -117.967 -136.099 -117.967 -62.3764 154.973 -136.1 154.974 -96.6692 GPRESSURE: 143600 -172.264 -88.3797 -168.362 -147.3 -61.8447 111.007 -201.228 157.072 -22.8335 PRESSAVG: 143600 30.4323 -13.8429 -28.0234 -13.8428 -21.6123 -20.6795 -28.0234 -20.6794 -22.1297 GPRESSAVG: 143600 31.4542 -13.2246 -28.8918 -13.8952 -23.486 -23.5996 -27.0629 -18.8904 -20.3863 TIMING: 143600 CPU: 415.112, 0.00289539/step Wall: 415.112, 0.00289539/step, 3.90588 hours remaining, 204.617188 MB of memory in use. ENERGY: 143600 744.1367 2096.5710 1946.3924 99.7459 -205640.8501 17572.7365 0.0000 0.0000 34239.1658 -148942.1018 299.0192 -183181.2676 -148843.3969 299.3643 -117.5231 -85.6474 558291.2467 -4.4366 -4.1394 PRESSURE: 143800 78.639 -120.817 179.507 -120.818 -40.6464 -48.7076 179.505 -48.7055 96.9151 GPRESSURE: 143800 95.333 -182.398 148.734 -58.2959 -22.8825 2.10344 138.41 0.734138 167.684 PRESSAVG: 143800 73.8358 -34.8293 15.3661 -34.8293 -39.3256 14.2982 15.366 14.2983 -50.1844 GPRESSAVG: 143800 72.2807 -33.2965 18.3746 -34.4999 -37.4926 16.2594 13.631 13.2642 -50.6379 TIMING: 143800 CPU: 415.69, 0.00289083/step Wall: 415.69, 0.00289083/step, 3.89957 hours remaining, 204.617188 MB of memory in use. ENERGY: 143800 737.8646 2057.7800 1939.1302 111.5637 -206070.9679 18014.1003 0.0000 0.0000 34295.2938 -148915.2353 299.5093 -183210.5291 -148812.7604 299.5671 44.9692 80.0449 558369.0514 -5.2247 -5.2833 PRESSURE: 144000 -64.6975 44.1415 108.058 44.1418 -253.757 64.741 108.058 64.741 -30.2335 GPRESSURE: 144000 -71.8951 -23.9411 104.386 37.9396 -240.687 132.118 157.772 46.8258 45.5825 PRESSAVG: 144000 7.83671 -82.9412 44.1161 -82.9413 -25.3573 34.6415 44.1161 34.6416 27.4915 GPRESSAVG: 144000 8.28149 -84.8299 42.3583 -82.5998 -25.6782 33.481 45.4944 34.6786 27.4135 TIMING: 144000 CPU: 416.267, 0.00288463/step Wall: 416.267, 0.00288463/step, 3.89104 hours remaining, 204.617188 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: 144000 734.8985 2058.8350 1968.4293 105.4390 -205675.8714 17546.7117 0.0000 0.0000 34465.4783 -148796.0798 300.9956 -183261.5580 -148694.3671 299.6868 -116.2294 -88.9998 560465.7355 3.3236 3.3389 PRESSURE: 144200 -51.7871 -57.0257 -8.01115 -57.0258 -102.883 -17.3741 -8.01065 -17.3722 -314.637 GPRESSURE: 144200 -36.8706 31.5042 -72.2893 -120.994 -77.0222 -85.7889 -21.4485 73.4635 -260.1 PRESSAVG: 144200 -6.93601 -15.266 22.0931 -15.2659 70.0205 3.98009 22.0931 3.9801 -34.9842 GPRESSAVG: 144200 -6.69081 -13.8613 20.2084 -14.4478 70.074 2.74531 22.2514 5.27038 -35.3001 TIMING: 144200 CPU: 416.845, 0.00288647/step Wall: 416.845, 0.00288647/step, 3.89336 hours remaining, 204.617188 MB of memory in use. ENERGY: 144200 730.1432 2101.7449 1925.3508 117.9841 -205370.0402 17408.5432 0.0000 0.0000 34224.6873 -148861.5868 298.8927 -183086.2741 -148764.0922 300.7108 -156.4359 -124.6642 559074.6745 9.3668 9.3610 LDB: ============= START OF LOAD BALANCING ============== 420.232 LDB: ============== END OF LOAD BALANCING =============== 420.232 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 420.233 LDB: ============= START OF LOAD BALANCING ============== 420.524 LDB: Largest compute 4822 load 0.023059 is 19.6% of average load 0.117877 LDB: Average compute 0.001708 is 1.4% of average load 0.117877 LDB: TIME 420.526 LOAD: AVG 0.117877 MAX 0.181434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.766 MB LDB: TIME 420.527 LOAD: AVG 0.117877 MAX 0.181434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.766 MB LDB: TIME 420.527 LOAD: AVG 0.117877 MAX 0.181434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 420.529 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 420.533 PRESSURE: 144400 -203.421 -42.5079 93.5858 -42.506 27.1541 3.64814 93.5856 3.6472 -74.5113 GPRESSURE: 144400 -132.367 -60.2831 60.4679 49.3716 40.5455 -8.39994 148.885 -30.8349 -44.441 PRESSAVG: 144400 21.2118 -22.1271 15.1515 -22.127 -39.7736 7.46734 15.1515 7.4675 20.3454 GPRESSAVG: 144400 22.5425 -22.6476 14.4202 -22.9703 -41.2082 8.84147 16.5108 6.98636 19.9895 TIMING: 144400 CPU: 417.437, 0.00296355/step Wall: 417.437, 0.00296355/step, 3.99718 hours remaining, 204.671875 MB of memory in use. ENERGY: 144400 722.3735 2080.7858 1949.2845 113.4793 -205736.8231 17524.8333 0.0000 0.0000 34426.5306 -148919.5361 300.6555 -183346.0667 -148826.2927 299.7002 -83.5929 -45.4207 556629.9770 0.5945 0.4413 PRESSURE: 144600 26.3186 -70.2141 -73.1171 -70.2135 -138.138 -139.113 -73.1167 -139.112 -38.1501 GPRESSURE: 144600 43.1406 -61.0238 -27.6034 -21.1865 -44.5548 11.361 -49.5433 -226.185 -53.3787 PRESSAVG: 144600 10.0502 -6.57488 21.837 -6.5748 -7.39844 57.9905 21.837 57.9906 -14.1568 GPRESSAVG: 144600 8.54707 -8.29843 24.4296 -6.33942 -7.2613 58.402 20.5581 56.8259 -12.8209 TIMING: 144600 CPU: 418.018, 0.00290219/step Wall: 418.018, 0.00290219/step, 3.91425 hours remaining, 204.929688 MB of memory in use. ENERGY: 144600 715.6659 2100.0106 1949.9657 109.7048 -205718.2552 17676.7553 0.0000 0.0000 34304.7523 -148861.4006 299.5919 -183166.1529 -148760.1788 300.3192 -49.9899 -18.2643 559646.8078 -3.8350 -3.8450 PRESSURE: 144800 -34.0339 104.854 68.9688 104.852 -320.8 110.026 68.9698 110.025 330.004 GPRESSURE: 144800 -15.3783 166.903 80.3853 95.4967 -230.118 45.5212 114.096 46.7757 337.64 PRESSAVG: 144800 57.5701 26.2812 20.8896 26.2812 -38.7984 -2.58381 20.8897 -2.58379 -3.82826 GPRESSAVG: 144800 57.9475 28.5124 20.7396 26.3694 -36.9423 -1.38619 20.1312 -1.8517 -5.70272 TIMING: 144800 CPU: 418.599, 0.00290596/step Wall: 418.599, 0.00290596/step, 3.91917 hours remaining, 204.929688 MB of memory in use. ENERGY: 144800 732.0930 2017.3512 1941.1170 107.2330 -205848.3203 17718.4048 0.0000 0.0000 34362.7106 -148969.4107 300.0981 -183332.1213 -148871.8927 299.9898 -8.2764 30.7148 557238.1748 4.9811 5.1008 PRESSURE: 145000 47.9871 -29.2541 22.0638 -29.2551 245.268 91.6492 22.0644 91.651 70.931 GPRESSURE: 145000 104.234 -161.528 86.0853 65.4716 285.261 9.12245 94.5057 97.2642 90.8038 PRESSAVG: 145000 4.60904 -7.31123 -23.2149 -7.31119 -21.7131 84.4759 -23.2149 84.476 46.1373 GPRESSAVG: 145000 4.78232 -8.68477 -24.1582 -6.79979 -21.6699 83.0329 -21.2235 84.163 45.4102 TIMING: 145000 CPU: 419.176, 0.00288532/step Wall: 419.176, 0.00288532/step, 3.89117 hours remaining, 204.929688 MB of memory in use. ENERGY: 145000 741.3412 2075.0973 1948.9904 110.1862 -206441.8383 18037.3522 0.0000 0.0000 34519.9923 -149008.8787 301.4717 -183528.8710 -148912.7399 300.4018 121.3952 160.0998 556938.4850 9.6777 9.5075 PRESSURE: 145200 -183.844 232.439 -143.062 232.438 -155.303 -2.09084 -143.062 -2.09061 93.6045 GPRESSURE: 145200 -111.965 177.253 -166.25 156.661 -181.431 132.89 -171.715 -82.3763 137.448 PRESSAVG: 145200 0.469182 39.0586 -5.24788 39.0585 44.7366 5.84778 -5.2479 5.84772 -40.8272 GPRESSAVG: 145200 -0.504667 39.7865 -5.64432 39.6957 44.4911 5.2879 -6.18006 7.5652 -40.5009 TIMING: 145200 CPU: 419.752, 0.002881/step Wall: 419.752, 0.002881/step, 3.88519 hours remaining, 204.941406 MB of memory in use. ENERGY: 145200 687.1448 2083.2918 1951.2243 106.7338 -205537.7617 17485.1221 0.0000 0.0000 34106.5284 -149117.7165 297.8608 -183224.2449 -149014.4000 300.0876 -81.8474 -51.9825 558008.4217 1.4595 1.1618 PRESSURE: 145400 113.522 147.85 134.767 147.851 -11.425 -40.4206 134.767 -40.4209 0.988484 GPRESSURE: 145400 117.114 158.849 131.864 115.212 57.9236 -69.928 24.5011 -46.0783 27.2013 PRESSAVG: 145400 31.8587 -8.02543 -40.4826 -8.0255 -25.4198 27.3977 -40.4826 27.3977 -15.1256 GPRESSAVG: 145400 31.4783 -6.41424 -37.7243 -10.5205 -24.1856 29.0664 -42.7969 25.3398 -15.31 TIMING: 145400 CPU: 420.329, 0.00288409/step Wall: 420.329, 0.00288409/step, 3.88919 hours remaining, 204.941406 MB of memory in use. ENERGY: 145400 709.2172 2094.3370 1964.2372 121.2269 -206196.7469 17752.5369 0.0000 0.0000 34391.1811 -149164.0106 300.3467 -183555.1918 -149073.8871 299.7434 34.3618 67.4128 556399.0469 -2.8956 -2.6724 PRESSURE: 145600 -138.817 -195.23 71.6091 -195.228 -2.6559 -20.3826 71.6089 -20.3819 -133.022 GPRESSURE: 145600 -75.7702 -104.157 108.017 -214.619 28.5473 -1.89718 76.4928 -113.04 -130.568 PRESSAVG: 145600 -5.51068 -8.20482 13.5829 -8.20487 14.8674 11.6418 13.5828 11.6418 -44.1794 GPRESSAVG: 145600 -3.67524 -9.24731 11.5223 -6.49609 13.4858 10.7663 15.4936 13.4158 -44.5554 TIMING: 145600 CPU: 420.903, 0.00286803/step Wall: 420.903, 0.00286803/step, 3.86738 hours remaining, 204.996094 MB of memory in use. ENERGY: 145600 743.0410 2095.6608 1936.6967 119.1997 -206107.5002 17564.9796 0.0000 0.0000 34393.3863 -149254.5361 300.3660 -183647.9223 -149157.6493 300.0475 -91.4984 -59.2636 556827.2399 -11.6076 -11.5816 PRESSURE: 145800 93.0698 16.0104 -136.051 16.0107 78.1006 -103.516 -136.053 -103.516 232.323 GPRESSURE: 145800 106.95 18.7609 -61.7413 -9.97284 82.6438 -109.151 -232.062 -98.1507 322.281 PRESSAVG: 145800 15.4996 2.28773 -51.2221 2.28781 2.56613 27.1451 -51.2221 27.1453 -23.6521 GPRESSAVG: 145800 15.2657 1.64699 -51.342 2.20393 2.03044 27.3088 -50.4839 26.4556 -22.4686 TIMING: 145800 CPU: 421.475, 0.00286278/step Wall: 421.475, 0.00286278/step, 3.86013 hours remaining, 205.062500 MB of memory in use. ENERGY: 145800 768.7170 2106.9678 1912.6847 112.9917 -206561.5644 18150.2848 0.0000 0.0000 34269.4834 -149240.4351 299.2839 -183509.9184 -149148.0049 299.9454 134.4977 170.6251 555644.5988 -1.8621 -1.7242 PRESSURE: 146000 42.6318 124.548 47.9629 124.548 -37.8806 146.805 47.9624 146.804 45.5977 GPRESSURE: 146000 94.7734 23.5045 72.9108 163.963 -2.28696 142.911 -36.5757 137.249 70.3213 PRESSAVG: 146000 1.40797 20.1081 2.1571 20.1081 15.7356 -13.9134 2.15717 -13.9134 23.8714 GPRESSAVG: 146000 2.44397 20.9232 0.734925 18.8891 15.7325 -15.1593 1.21452 -13.2261 22.9668 TIMING: 146000 CPU: 422.052, 0.00288544/step Wall: 422.052, 0.00288544/step, 3.89054 hours remaining, 205.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 146000 694.1309 2055.7929 1973.6866 109.5201 -206228.9384 17901.9126 0.0000 0.0000 34250.4631 -149243.4321 299.1178 -183493.8953 -149141.7775 299.2120 16.7830 54.2692 557582.5462 13.6717 13.7144 PRESSURE: 146200 -198.31 122.065 -78.3624 122.065 -175.386 58.5767 -78.3637 58.5764 -111.595 GPRESSURE: 146200 -134.142 125.037 -118.877 81.4254 -156.068 142.091 -152.553 -0.861216 -103.723 PRESSAVG: 146200 21.355 1.41485 -8.73711 1.41491 2.25061 -14.0965 -8.7371 -14.0964 12.4316 GPRESSAVG: 146200 20.2937 0.518563 -8.2565 3.38992 1.92116 -12.6326 -8.8804 -13.6051 13.1402 TIMING: 146200 CPU: 422.63, 0.00288678/step Wall: 422.63, 0.00288678/step, 3.89218 hours remaining, 205.062500 MB of memory in use. ENERGY: 146200 678.9251 2110.9714 1952.4095 110.1108 -205459.0976 17333.3750 0.0000 0.0000 34179.5305 -149093.7752 298.4983 -183273.3058 -149010.2705 299.5015 -161.7636 -131.3112 558211.1483 12.0124 11.7850 PRESSURE: 146400 272.85 -50.5391 2.43324 -50.54 -278.353 2.93538 2.43394 2.93545 -81.3412 GPRESSURE: 146400 287.489 -44.5006 50.1987 -78.4742 -253.522 -18.2021 -50.7974 -32.7127 -8.97539 PRESSAVG: 146400 -32.8957 20.593 33.7082 20.593 -79.9838 12.9743 33.7081 12.9743 65.0314 GPRESSAVG: 146400 -32.6644 21.8629 35.6353 16.0223 -79.2403 12.9021 33.4945 11.6907 64.2474 TIMING: 146400 CPU: 423.208, 0.00288989/step Wall: 423.208, 0.00288989/step, 3.89621 hours remaining, 205.062500 MB of memory in use. ENERGY: 146400 733.7037 2066.8634 1963.7594 113.5343 -205915.6619 17700.9634 0.0000 0.0000 34395.4367 -148941.4010 300.3839 -183336.8377 -148842.5388 299.8456 -28.9478 8.3306 557591.7053 -15.9494 -15.8858 PRESSURE: 146600 93.5164 -76.5768 137.067 -76.5761 75.8692 89.792 137.068 89.7932 327.2 GPRESSURE: 146600 130.633 -30.1849 68.1801 -85.2899 121.261 118.443 217.866 86.7767 345.653 PRESSAVG: 146600 46.9046 -13.7018 4.16689 -13.7018 -62.288 -15.4041 4.16677 -15.4041 37.4412 GPRESSAVG: 146600 46.5955 -14.5601 2.90364 -10.1201 -62.8745 -18.5011 5.70792 -14.2144 38.5558 TIMING: 146600 CPU: 423.788, 0.002903/step Wall: 423.788, 0.002903/step, 3.91372 hours remaining, 205.062500 MB of memory in use. ENERGY: 146600 736.4465 2081.5035 1935.1527 112.7080 -206414.7046 18116.9996 0.0000 0.0000 34539.9096 -148891.9847 301.6456 -183431.8943 -148797.8272 300.0945 165.5286 199.1822 557424.2691 7.3526 7.4256 PRESSURE: 146800 -9.14861 -72.6767 9.60776 -72.6772 -96.1417 32.2629 9.60642 32.264 47.3836 GPRESSURE: 146800 15.1287 -41.9544 -7.51287 -98.2049 -86.5792 -4.26896 8.48446 -70.6813 104.305 PRESSAVG: 146800 -64.5856 14.3998 -44.0829 14.3998 -4.73884 19.9621 -44.083 19.962 40.2576 GPRESSAVG: 146800 -63.2048 14.5592 -43.4481 15.2842 -5.18393 24.2238 -45.892 18.7456 39.235 TIMING: 146800 CPU: 424.369, 0.00290409/step Wall: 424.369, 0.00290409/step, 3.91504 hours remaining, 205.062500 MB of memory in use. ENERGY: 146800 772.8607 2108.8879 1935.6699 111.4342 -206044.2793 17871.6958 0.0000 0.0000 34369.3230 -148874.4079 300.1558 -183243.7309 -148780.4131 300.1419 -19.3022 10.9515 558531.4958 -9.6890 -9.7179 PRESSURE: 147000 -218.035 -39.7895 -19.2841 -39.79 95.7758 85.5434 -19.2846 85.5436 56.2429 GPRESSURE: 147000 -111.491 -10.6895 -24.9283 29.6459 72.0201 113.268 -7.94912 86.8058 69.46 PRESSAVG: 147000 -21.6776 -10.6133 4.21648 -10.6132 25.3949 12.8573 4.21649 12.8573 -3.1556 GPRESSAVG: 147000 -22.1499 -10.5467 4.85548 -12.915 26.7109 9.80728 5.28913 14.2297 -3.72593 TIMING: 147000 CPU: 424.948, 0.0028977/step Wall: 424.948, 0.0028977/step, 3.90626 hours remaining, 205.062500 MB of memory in use. ENERGY: 147000 748.8950 2093.4006 1949.6860 112.3043 -205822.9698 17658.1248 0.0000 0.0000 34552.7524 -148707.8068 301.7578 -183260.5592 -148608.2489 300.6416 -22.0056 9.9964 558170.0522 0.1872 0.2783 PRESSURE: 147200 82.3179 17.8544 0.669155 17.8538 256.578 177.723 0.667899 177.723 -132.688 GPRESSURE: 147200 102.095 -42.2125 -24.4949 47.6294 287.972 99.532 4.77488 220.597 -78.6638 PRESSAVG: 147200 -49.3423 -21.4728 -22.239 -21.4729 64.7282 -24.8469 -22.239 -24.8469 -6.45174 GPRESSAVG: 147200 -50.3915 -22.8411 -22.5424 -18.5303 64.2756 -24.0852 -22.9349 -25.5008 -5.48045 TIMING: 147200 CPU: 425.53, 0.00290899/step Wall: 425.53, 0.00290899/step, 3.92132 hours remaining, 205.062500 MB of memory in use. ENERGY: 147200 718.7541 2069.9518 1951.6669 118.7901 -205863.5783 17693.4836 0.0000 0.0000 34409.1000 -148901.8319 300.5032 -183310.9319 -148796.4571 300.7196 68.7361 103.8010 557451.5241 2.9781 2.8012 PRESSURE: 147400 -215.583 -46.4941 -7.50163 -46.4942 53.527 -41.0318 -7.50192 -41.034 -88.6383 GPRESSURE: 147400 -182.912 28.6864 -44.9698 -49.3464 93.6036 -32.9714 -23.5225 -131.759 -70.8861 PRESSAVG: 147400 -7.19152 38.8616 23.893 38.8616 2.16561 6.42605 23.893 6.42606 15.9042 GPRESSAVG: 147400 -6.04293 39.0783 23.7036 36.9024 1.72138 6.4378 25.2586 6.12579 14.8926 TIMING: 147400 CPU: 426.111, 0.00290508/step Wall: 426.111, 0.00290508/step, 3.91588 hours remaining, 205.062500 MB of memory in use. ENERGY: 147400 767.2359 2106.4484 1940.2243 118.4116 -205704.2578 17514.7301 0.0000 0.0000 34322.6301 -148934.5773 299.7481 -183257.2075 -148832.1657 300.3004 -83.5648 -53.3982 556241.3605 3.6261 3.5237 PRESSURE: 147600 -14.9554 -41.7285 6.07422 -41.7292 -215.78 6.92443 6.07331 6.92464 130.891 GPRESSURE: 147600 3.79804 -47.9966 -8.58364 -46.2147 -172.845 -44.1459 13.9729 31.9289 159.136 PRESSAVG: 147600 76.4246 -33.6083 15.216 -33.6082 -67.4004 -37.1613 15.2161 -37.1613 -9.73677 GPRESSAVG: 147600 75.1477 -34.3435 15.0044 -31.9461 -66.7839 -36.5744 13.6115 -37.0919 -9.51511 TIMING: 147600 CPU: 426.69, 0.00289457/step Wall: 426.69, 0.00289457/step, 3.90156 hours remaining, 205.062500 MB of memory in use. ENERGY: 147600 743.3868 2078.5267 1962.3076 104.6202 -205894.6832 17658.9240 0.0000 0.0000 34435.7450 -148911.1730 300.7359 -183346.9179 -148810.3538 299.7704 -33.2816 -3.3038 557394.1112 -0.2375 -0.3838 PRESSURE: 147800 -74.5478 -106.534 -27.6619 -106.533 34.6691 -7.50176 -27.6626 -7.50292 -174.648 GPRESSURE: 147800 -4.73889 -125.339 -94.7425 -143.947 49.9176 3.32507 -86.057 -46.2111 -166.797 PRESSAVG: 147800 37.9847 -46.9817 -9.35702 -46.9818 -20.4485 -70.1623 -9.3571 -70.1623 25.814 GPRESSAVG: 147800 39.087 -45.0445 -8.93282 -49.0038 -20.2206 -70.8495 -8.47587 -69.0425 24.8263 TIMING: 147800 CPU: 427.267, 0.00288524/step Wall: 427.267, 0.00288524/step, 3.88882 hours remaining, 205.062500 MB of memory in use. ENERGY: 147800 720.6710 2041.2549 1955.2566 118.6270 -206218.6719 17682.9822 0.0000 0.0000 34544.9663 -149154.9139 301.6898 -183699.8802 -149059.0139 300.3777 -71.5088 -40.5394 556144.0441 14.4501 14.5642 PRESSURE: 148000 -2.35416 -127.158 -6.98169 -127.158 -144.579 29.913 -6.98166 29.9132 -102.716 GPRESSURE: 148000 -32.7983 -165.011 -1.65623 -134.191 -91.4968 45.4207 76.0124 91.9832 -27.708 PRESSAVG: 148000 34.2069 -47.4076 -28.3182 -47.4077 59.2495 32.3609 -28.3182 32.361 -81.5141 GPRESSAVG: 148000 34.2764 -47.8583 -26.9705 -46.967 59.4273 32.8585 -29.1527 31.6217 -82.3973 TIMING: 148000 CPU: 427.844, 0.00288195/step Wall: 427.844, 0.00288195/step, 3.88423 hours remaining, 205.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 148000 749.4285 2047.8680 1949.6443 109.8098 -206082.4904 17601.1890 0.0000 0.0000 34435.1291 -149189.4217 300.7305 -183624.5509 -149095.9953 299.3279 -83.2162 -50.6677 556832.9154 3.9808 3.7688 PRESSURE: 148200 -7.55558 75.0005 22.4392 74.9998 -280.656 54.4877 22.4377 54.4877 -5.09397 GPRESSURE: 148200 -20.4091 77.3352 9.8022 83.8967 -194.185 100.301 9.75925 10.7842 14.0171 PRESSAVG: 148200 25.0781 20.8616 46.1031 20.8616 -20.9264 -44.072 46.1031 -44.0721 13.8225 GPRESSAVG: 148200 24.9358 19.6288 42.7272 21.7338 -21.1014 -43.6226 47.9587 -44.3189 14.1142 TIMING: 148200 CPU: 428.423, 0.00289751/step Wall: 428.423, 0.00289751/step, 3.90504 hours remaining, 205.062500 MB of memory in use. ENERGY: 148200 745.8993 2122.8431 1934.8366 113.5648 -206374.9821 17839.8124 0.0000 0.0000 34409.8845 -149208.1414 300.5101 -183618.0260 -149110.6031 299.9329 -97.7685 -66.8588 557601.7292 5.9914 5.9829 LDB: ============= START OF LOAD BALANCING ============== 431.807 LDB: ============== END OF LOAD BALANCING =============== 431.807 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 431.809 LDB: ============= START OF LOAD BALANCING ============== 432.101 LDB: Largest compute 4820 load 0.023076 is 19.6% of average load 0.117837 LDB: Average compute 0.001701 is 1.4% of average load 0.117837 LDB: TIME 432.103 LOAD: AVG 0.117837 MAX 0.180607 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.48 MB LDB: TIME 432.104 LOAD: AVG 0.117837 MAX 0.180607 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.484 MB LDB: TIME 432.104 LOAD: AVG 0.117837 MAX 0.180607 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 432.106 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 432.11 PRESSURE: 148400 -91.2918 144.468 26.9072 144.467 -147.028 37.2432 26.9073 37.2427 -77.7226 GPRESSURE: 148400 -79.1271 160.727 -9.6578 139.073 -70.2956 47.1141 15.6245 -42.7928 -67.5219 PRESSAVG: 148400 -12.0929 28.3808 17.0497 28.3808 -8.75058 22.9196 17.0497 22.9196 5.11261 GPRESSAVG: 148400 -12.3693 29.7382 19.792 28.7757 -9.35215 22.9194 14.9564 20.8593 5.61513 TIMING: 148400 CPU: 429.014, 0.00295475/step Wall: 429.014, 0.00295475/step, 3.98201 hours remaining, 205.433594 MB of memory in use. ENERGY: 148400 715.0927 2087.5756 1923.9426 128.3443 -205860.8423 17566.4947 0.0000 0.0000 34127.7322 -149311.6602 298.0460 -183439.3925 -149218.7045 299.5692 -105.3474 -72.3149 558353.0988 -5.2436 -5.3688 PRESSURE: 148600 24.7819 5.99981 162.885 5.99858 -6.90302 63.8732 162.883 63.8721 -73.6953 GPRESSURE: 148600 98.8186 -49.6426 178.164 67.0248 -8.17024 126.036 82.9248 8.16389 -48.394 PRESSAVG: 148600 -5.75744 5.92604 8.49276 5.92604 4.48596 42.0887 8.4927 42.0887 -42.4437 GPRESSAVG: 148600 -6.75829 6.69042 9.0549 3.73363 4.34863 42.0093 9.38896 44.7732 -41.3785 TIMING: 148600 CPU: 429.593, 0.00289345/step Wall: 429.593, 0.00289345/step, 3.89924 hours remaining, 205.894531 MB of memory in use. ENERGY: 148600 742.5105 2130.4829 1955.3773 115.6286 -206279.6273 17710.4021 0.0000 0.0000 34402.3295 -149222.8965 300.4441 -183625.2260 -149128.9761 299.3245 -18.6054 14.0848 555942.0246 -14.5717 -14.5960 PRESSURE: 148800 52.8835 -3.81096 1.86304 -3.81121 -40.405 -3.91847 1.86424 -3.91731 -198.077 GPRESSURE: 148800 61.8483 74.8254 40.0407 -146.869 -6.26409 -62.1088 -38.9856 -7.27424 -141.339 PRESSAVG: 148800 135.357 -26.5482 0.962311 -26.5482 8.72277 0.166373 0.962335 0.166363 -96.4488 GPRESSAVG: 148800 135.196 -28.6396 0.250194 -25.2436 10.7248 -0.0937135 1.923 0.426764 -97.8242 TIMING: 148800 CPU: 430.166, 0.00286852/step Wall: 430.166, 0.00286852/step, 3.8655 hours remaining, 205.894531 MB of memory in use. ENERGY: 148800 753.9132 2073.0259 1975.0070 119.5344 -206182.9258 17636.7441 0.0000 0.0000 34309.2667 -149315.4345 299.6314 -183624.7012 -149220.6226 299.3137 -61.8661 -28.5848 556113.3524 15.8769 16.0322 PRESSURE: 149000 -306.969 97.1931 92.2166 97.1937 127.81 -124.77 92.2163 -124.77 -22.1146 GPRESSURE: 149000 -248.97 97.428 109.991 -8.97113 107.435 -75.3138 106.265 -161.953 38.8271 PRESSAVG: 149000 -31.2428 -21.903 -12.9132 -21.903 48.2203 -1.66553 -12.9132 -1.66563 -53.5152 GPRESSAVG: 149000 -30.0783 -19.3808 -12.1077 -22.5448 46.2563 -2.30305 -12.5428 -3.24347 -52.3433 TIMING: 149000 CPU: 430.747, 0.00290082/step Wall: 430.747, 0.00290082/step, 3.90885 hours remaining, 205.894531 MB of memory in use. ENERGY: 149000 738.9803 2091.4505 1964.0731 107.2020 -206211.9608 17697.8114 0.0000 0.0000 34298.3527 -149314.0908 299.5360 -183612.4435 -149218.4055 299.3792 -67.0915 -34.2361 557821.5462 -12.1792 -12.0551 PRESSURE: 149200 168.791 30.6543 -60.3411 30.655 194.506 132.324 -60.34 132.325 -197.6 GPRESSURE: 149200 173.34 -15.8171 66.5994 58.8123 202.49 30.4459 -20.4295 194.958 -112.707 PRESSAVG: 149200 38.3303 -36.5413 -17.0155 -36.5413 -26.6167 22.0664 -17.0155 22.0666 29.437 GPRESSAVG: 149200 38.5455 -38.0724 -17.9797 -36.4513 -27.7047 21.814 -17.9732 22.8689 29.8562 TIMING: 149200 CPU: 431.322, 0.00287684/step Wall: 431.322, 0.00287684/step, 3.87638 hours remaining, 205.894531 MB of memory in use. ENERGY: 149200 725.8609 2136.0639 1938.8610 102.1553 -206617.8352 18036.4317 0.0000 0.0000 34254.8210 -149423.6414 299.1559 -183678.4624 -149323.9298 299.1470 55.2323 87.7078 556517.6925 13.7168 13.5657 PRESSURE: 149400 -150.959 -52.1832 -56.4589 -52.1843 -99.4278 -25.9522 -56.4598 -25.9506 -112.747 GPRESSURE: 149400 -92.5445 -87.0809 -64.5106 27.9429 -107.864 -69.0044 -112.65 -58.9674 -54.093 PRESSAVG: 149400 -30.8456 20.8818 22.3675 20.8818 25.9723 -3.47255 22.3675 -3.47245 30.457 GPRESSAVG: 149400 -31.3741 19.1472 21.9946 23.4426 28.0395 -1.90642 22.7807 -4.12887 28.6714 TIMING: 149400 CPU: 431.904, 0.00290836/step Wall: 431.904, 0.00290836/step, 3.91869 hours remaining, 205.894531 MB of memory in use. ENERGY: 149400 739.9447 2074.0949 1949.5870 107.9281 -205889.0211 17447.7832 0.0000 0.0000 34276.9533 -149292.7299 299.3492 -183569.6833 -149188.3554 298.8436 -121.0448 -84.8337 557068.1467 8.5279 8.4456 PRESSURE: 149600 -35.6792 149.619 99.8306 149.619 -20.636 -186.726 99.8306 -186.725 3.10847 GPRESSURE: 149600 -17.47 127.66 -2.39687 98.3988 -11.6797 -189.826 144.277 -205.804 73.5706 PRESSAVG: 149600 -73.3106 -13.5973 -26.9726 -13.5973 15.1965 -42.3963 -26.9725 -42.3963 43.9656 GPRESSAVG: 149600 -73.499 -10.4653 -27.6802 -15.7526 13.7502 -42.1915 -27.3797 -42.9287 45.3452 TIMING: 149600 CPU: 432.486, 0.00290947/step Wall: 432.486, 0.00290947/step, 3.92003 hours remaining, 205.894531 MB of memory in use. ENERGY: 149600 743.9096 2097.1335 1956.6346 108.5905 -206180.8076 17712.4526 0.0000 0.0000 34199.4675 -149362.6193 298.6725 -183562.0867 -149271.1251 298.7457 -17.7356 14.8070 555911.5040 -4.7162 -4.8012 PRESSURE: 149800 300.618 16.3343 59.8407 16.3355 -57.2475 -53.5653 59.8395 -53.5656 -305.143 GPRESSURE: 149800 309.853 43.3439 91.3168 74.704 5.37902 -70.8435 79.0694 -100.554 -280.854 PRESSAVG: 149800 2.50675 -8.751 44.2882 -8.751 -15.3755 -32.0168 44.2881 -32.0168 -3.00022 GPRESSAVG: 149800 2.8425 -11.7303 44.9805 -8.95762 -14.6453 -32.7341 43.7821 -32.2001 -4.24111 TIMING: 149800 CPU: 433.063, 0.00288871/step Wall: 433.063, 0.00288871/step, 3.8919 hours remaining, 205.894531 MB of memory in use. ENERGY: 149800 738.6371 2107.7710 1926.3894 110.1561 -206382.5856 17825.4464 0.0000 0.0000 34275.3892 -149398.7965 299.3355 -183674.1857 -149301.2713 299.1030 -20.5909 11.4594 556199.1357 -5.2897 -5.3480 PRESSURE: 150000 -185.748 28.6249 70.407 28.6254 -169.682 165.752 70.4067 165.751 -285.104 GPRESSURE: 150000 -125.647 -19.4024 4.80767 -22.4285 -150.653 193.204 66.2869 126.8 -268.594 PRESSAVG: 150000 50.5532 -64.4885 -3.98388 -64.4886 -35.7126 -4.74901 -3.98381 -4.74907 -26.6902 GPRESSAVG: 150000 49.5417 -63.8434 -5.653 -62.3224 -35.7239 -3.50579 -4.07314 -5.4455 -25.6932 TIMING: 150000 CPU: 433.644, 0.00290474/step Wall: 433.644, 0.00290474/step, 3.91333 hours remaining, 205.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 150000 756.3671 2126.5841 1961.9842 116.8673 -206211.4316 17541.6754 0.0000 0.0000 34295.6744 -149412.2790 299.5127 -183707.9535 -149326.9340 299.1737 -213.5112 -181.6316 557771.6395 -3.9498 -3.9585 PRESSURE: 150200 155.483 51.1956 -46.3271 51.1958 -34.3786 -22.8214 -46.3261 -22.8194 133.697 GPRESSURE: 150200 157.896 26.9233 15.2766 121.301 65.9065 -17.5098 -9.58697 -29.694 129.487 PRESSAVG: 150200 -34.18 6.64624 25.8831 6.64622 50.4917 -7.24516 25.8831 -7.2451 -10.6681 GPRESSAVG: 150200 -32.9809 7.49981 27.1153 4.9376 51.7314 -8.9635 26.4398 -6.71852 -12.7379 TIMING: 150200 CPU: 434.225, 0.00290301/step Wall: 434.225, 0.00290301/step, 3.91084 hours remaining, 206.039062 MB of memory in use. ENERGY: 150200 760.2926 2102.1855 1934.5048 122.2062 -206271.2024 17952.3926 0.0000 0.0000 34039.7281 -149359.8926 297.2774 -183399.6207 -149264.7774 298.3670 84.9337 117.7634 557167.5374 1.8812 2.0042 PRESSURE: 150400 -102.147 -138.411 108.015 -138.409 -76.7057 -89.5579 108.016 -89.5576 -164.285 GPRESSURE: 150400 -118.913 -224.483 53.1209 -93.0631 10.2394 -93.7619 95.9662 -115.041 -142.038 PRESSAVG: 150400 -3.45085 -48.2769 7.83278 -48.2769 -69.8151 -35.3159 7.83284 -35.3158 85.2408 GPRESSAVG: 150400 -4.89601 -48.686 6.55115 -46.2451 -69.1258 -35.784 9.4641 -33.3828 85.8671 TIMING: 150400 CPU: 434.809, 0.00292095/step Wall: 434.809, 0.00292095/step, 3.93484 hours remaining, 206.160156 MB of memory in use. ENERGY: 150400 760.7465 2070.0803 1948.4561 101.8971 -206251.2863 17820.5833 0.0000 0.0000 34045.5581 -149503.9650 297.3283 -183549.5231 -149407.3412 298.0541 -114.3792 -83.5704 558645.1262 3.9916 3.9484 PRESSURE: 150600 -85.739 18.019 -77.7612 18.0187 -37.9936 -106.813 -77.7632 -106.81 62.5943 GPRESSURE: 150600 -58.9461 45.3901 -38.33 63.0944 -62.6384 -162.624 12.6039 -44.7324 160.613 PRESSAVG: 150600 -39.0901 -31.0276 -13.998 -31.0275 -20.8295 -17.9534 -13.998 -17.9534 84.583 GPRESSAVG: 150600 -38.3094 -31.0519 -12.5779 -32.5283 -21.7517 -18.2786 -14.6438 -19.7666 85.0066 TIMING: 150600 CPU: 435.386, 0.00288671/step Wall: 435.386, 0.00288671/step, 3.88856 hours remaining, 206.160156 MB of memory in use. ENERGY: 150600 725.9940 2057.7982 1959.4717 121.2463 -206325.0257 17912.2484 0.0000 0.0000 34123.9100 -149424.3570 298.0126 -183548.2669 -149336.2519 298.2282 -20.3794 13.0094 558442.9748 8.2211 8.3152 PRESSURE: 150800 -291.534 -148.612 26.9134 -148.613 -207.418 9.10547 26.9128 9.10324 6.15422 GPRESSURE: 150800 -236.703 -146.982 -69.6851 -148.551 -171.603 60.9358 76.3173 -46.5901 5.73119 PRESSAVG: 150800 -39.8029 -24.5157 43.1838 -24.5157 27.8965 -11.8766 43.1837 -11.8766 31.3068 GPRESSAVG: 150800 -40.3119 -25.3061 43.9879 -24.3429 27.0005 -11.8222 41.57 -10.3566 32.495 TIMING: 150800 CPU: 435.967, 0.00290447/step Wall: 435.967, 0.00290447/step, 3.91232 hours remaining, 206.160156 MB of memory in use. ENERGY: 150800 782.5707 2114.5822 1949.3839 117.1253 -206103.3520 17641.0058 0.0000 0.0000 34219.0980 -149279.5861 298.8439 -183498.6840 -149176.9234 298.6215 -164.2659 -134.1917 558534.8979 6.4668 6.3945 PRESSURE: 151000 24.8728 -60.4062 -25.2629 -60.4053 -230.89 167.859 -25.2626 167.861 59.6273 GPRESSURE: 151000 115.048 -36.1063 -15.7995 -127.754 -223.52 200.024 -23.601 159.813 55.5257 PRESSAVG: 151000 -63.134 8.0495 -5.58603 8.0495 18.8144 -5.46794 -5.58596 -5.46801 40.7957 GPRESSAVG: 151000 -62.2108 9.54213 -4.89697 8.40514 18.3692 -3.82343 -5.83302 -5.02193 40.4357 TIMING: 151000 CPU: 436.547, 0.00290038/step Wall: 436.547, 0.00290038/step, 3.90665 hours remaining, 206.160156 MB of memory in use. ENERGY: 151000 742.4071 2096.4234 1946.8334 111.1225 -206138.2070 17842.8606 0.0000 0.0000 34186.5490 -149212.0110 298.5596 -183398.5600 -149125.2011 299.1685 -48.7967 -17.6490 558967.7542 -1.1746 -1.1353 PRESSURE: 151200 211.597 53.0823 -54.7654 53.0821 -0.102963 33.6589 -54.764 33.6598 190.713 GPRESSURE: 151200 201.874 73.4075 -58.3569 10.2363 21.8641 57.9622 -82.4318 -3.01605 275.355 PRESSAVG: 151200 -84.1285 46.9308 24.6943 46.9308 8.14613 33.8227 24.6944 33.8226 56.7484 GPRESSAVG: 151200 -84.7813 46.1212 23.3058 46.3079 8.34811 33.1039 26.3755 32.9759 56.7553 TIMING: 151200 CPU: 437.131, 0.00291878/step Wall: 437.131, 0.00291878/step, 3.93127 hours remaining, 206.160156 MB of memory in use. ENERGY: 151200 728.7664 2097.6737 1988.2594 115.0270 -206210.0780 18045.0717 0.0000 0.0000 34173.1052 -149062.1745 298.4422 -183235.2798 -148967.5422 299.3964 134.0690 166.3645 557364.5765 -6.4113 -6.5593 PRESSURE: 151400 -246.497 -146.579 26.478 -146.578 -287.862 45.0732 26.4777 45.0739 -251.209 GPRESSURE: 151400 -249.988 -219.784 -58.4513 -80.3575 -250.227 36.0615 91.5339 81.8322 -185.693 PRESSAVG: 151400 -50.9398 -9.70959 37.9817 -9.7097 4.91282 -6.02372 37.9816 -6.02368 84.2187 GPRESSAVG: 151400 -51.0252 -9.22678 35.5214 -10.3941 6.38388 -5.72314 39.2512 -4.8413 82.8818 TIMING: 151400 CPU: 437.718, 0.00293491/step Wall: 437.718, 0.00293491/step, 3.95284 hours remaining, 206.160156 MB of memory in use. ENERGY: 151400 747.3592 2061.4814 1969.6609 122.1406 -205675.1828 17504.0774 0.0000 0.0000 34321.7701 -148948.6933 299.7406 -183270.4634 -148853.0600 299.4338 -261.8561 -228.6358 559828.4270 12.7306 12.7468 PRESSURE: 151600 51.3893 174.542 135.395 174.543 -152.517 -187.239 135.394 -187.24 256.306 GPRESSURE: 151600 128.999 121.49 111.353 265.475 -122.009 -188.908 100.999 -157.669 244.138 PRESSAVG: 151600 6.74687 49.9213 58.9311 49.9213 -3.66935 38.5411 58.9311 38.541 1.17821 GPRESSAVG: 151600 6.3737 49.3858 61.444 51.4668 -3.5473 39.9093 57.1538 35.3714 2.20673 TIMING: 151600 CPU: 438.298, 0.00289908/step Wall: 438.298, 0.00289908/step, 3.90441 hours remaining, 206.160156 MB of memory in use. ENERGY: 151600 762.3312 2141.1254 1909.5791 103.8924 -205957.3631 17621.3920 0.0000 0.0000 34401.9105 -149017.1324 300.4404 -183419.0429 -148914.5478 300.0014 51.7260 83.7092 557043.4721 1.4186 1.6777 PRESSURE: 151800 -389.271 -59.1517 -36.5762 -59.1521 -130.99 -64.0996 -36.5771 -64.0981 -347.031 GPRESSURE: 151800 -321.839 2.33971 -40.1203 -58.2743 -66.2048 -146.008 -44.0387 -13.5559 -391.572 PRESSAVG: 151800 34.6743 52.1361 14.9606 52.1361 27.1189 -23.3711 14.9607 -23.371 -60.1778 GPRESSAVG: 151800 35.9684 52.3833 15.3197 50.3739 26.5793 -24.2712 14.7538 -22.4645 -60.8734 TIMING: 151800 CPU: 438.877, 0.00289564/step Wall: 438.877, 0.00289564/step, 3.89963 hours remaining, 206.160156 MB of memory in use. ENERGY: 151800 759.5049 2061.1463 1959.8527 117.1363 -205575.4134 17366.7246 0.0000 0.0000 34361.5484 -148949.5001 300.0879 -183311.0485 -148851.5814 299.6396 -289.0974 -259.8720 558563.0284 0.5384 0.5581 PRESSURE: 152000 -370.686 118.781 -7.80687 118.78 -53.5964 -36.6713 -7.80669 -36.6712 -176.272 GPRESSURE: 152000 -297.556 155.194 -37.5072 75.1763 -36.624 -37.2126 12.0834 -23.7143 -158.566 PRESSAVG: 152000 -44.6643 31.9297 8.15331 31.9297 23.3155 -58.6227 8.15336 -58.6228 -17.7977 GPRESSAVG: 152000 -44.5666 32.1942 6.86294 31.9079 22.928 -58.9658 7.02294 -57.6528 -17.1314 TIMING: 152000 CPU: 439.454, 0.0028856/step Wall: 439.454, 0.0028856/step, 3.88595 hours remaining, 206.160156 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: 152000 711.4192 2053.8457 1952.0196 97.1091 -205497.0434 17293.0780 0.0000 0.0000 34255.8251 -149133.7468 299.1646 -183389.5719 -149037.3402 299.3458 -200.1847 -164.2487 557621.9363 -13.0488 -12.9233 PRESSURE: 152200 51.7261 -120.164 -36.9904 -120.164 0.765252 47.4898 -36.9906 47.4881 31.9903 GPRESSURE: 152200 58.3077 -186.041 49.889 -8.62658 82.8043 56.9694 -107.445 53.9766 45.7999 PRESSAVG: 152200 -49.3458 -20.1037 7.129 -20.1038 46.4884 -28.0472 7.12894 -28.0472 -16.3505 GPRESSAVG: 152200 -50.2555 -20.5058 6.00514 -18.8368 47.5719 -26.5429 8.34226 -29.7039 -16.8063 TIMING: 152200 CPU: 440.027, 0.00286304/step Wall: 440.027, 0.00286304/step, 3.8554 hours remaining, 206.160156 MB of memory in use. ENERGY: 152200 698.4172 2117.5434 1945.2961 115.9891 -206283.9269 17848.4949 0.0000 0.0000 34321.0351 -149237.1511 299.7341 -183558.1861 -149144.0802 300.0118 28.1605 62.3040 558174.8702 -6.4026 -6.4966 LDB: ============= START OF LOAD BALANCING ============== 443.412 LDB: ============== END OF LOAD BALANCING =============== 443.412 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 443.413 LDB: ============= START OF LOAD BALANCING ============== 443.704 LDB: Largest compute 4820 load 0.024443 is 20.7% of average load 0.117836 LDB: Average compute 0.001707 is 1.4% of average load 0.117836 LDB: TIME 443.706 LOAD: AVG 0.117836 MAX 0.180112 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.934 MB LDB: TIME 443.706 LOAD: AVG 0.117836 MAX 0.180112 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.934 MB LDB: TIME 443.706 LOAD: AVG 0.117836 MAX 0.180112 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 443.708 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 443.712 PRESSURE: 152400 -354.49 -34.4004 20.9597 -34.3994 -305.591 79.5543 20.9592 79.5543 15.7976 GPRESSURE: 152400 -294.575 30.024 37.8521 -114.076 -300.799 72.5675 86.6312 88.4526 56.9985 PRESSAVG: 152400 7.77771 -47.079 23.5248 -47.0791 41.9374 26.849 23.5248 26.8491 -17.8838 GPRESSAVG: 152400 9.4547 -48.1586 23.3193 -46.0409 40.9228 26.1814 23.7297 27.4322 -18.2963 TIMING: 152400 CPU: 440.617, 0.00295006/step Wall: 440.617, 0.00295006/step, 3.97242 hours remaining, 203.652344 MB of memory in use. ENERGY: 152400 773.2615 2091.9224 1934.7735 104.2255 -205801.1279 17596.2066 0.0000 0.0000 33990.1114 -149310.6270 296.8441 -183300.7384 -149216.9949 298.8642 -214.7612 -179.4584 558522.4317 10.6104 10.6937 PRESSURE: 152600 270.952 107.879 -86.6388 107.88 25.2224 -66.6264 -86.6391 -66.626 -32.2903 GPRESSURE: 152600 305.478 82.8491 -84.1109 127.666 58.8221 -48.7258 -103.84 -43.3825 -17.518 PRESSAVG: 152600 -19.5134 51.3026 -23.8483 51.3024 41.4329 37.7969 -23.8484 37.7969 23.4333 GPRESSAVG: 152600 -20.1272 50.4991 -23.1016 50.7389 40.7197 37.8954 -23.1189 39.3435 24.7325 TIMING: 152600 CPU: 441.198, 0.00290636/step Wall: 441.198, 0.00290636/step, 3.91341 hours remaining, 203.652344 MB of memory in use. ENERGY: 152600 740.1052 2131.2252 1928.5797 121.7785 -205900.3596 17741.9365 0.0000 0.0000 33878.7823 -149357.9522 295.8718 -183236.7345 -149257.7585 298.2091 87.9614 115.5942 558003.3265 15.1176 15.1083 PRESSURE: 152800 17.3572 174.983 -13.6495 174.984 -48.1178 -5.0525 -13.6491 -5.05067 -162.705 GPRESSURE: 152800 67.866 150.145 -45.5949 188.127 -49.7924 73.1172 14.8602 -30.6871 -109.396 PRESSAVG: 152800 -9.10033 42.5048 -8.01954 42.5048 71.6689 -5.49113 -8.01947 -5.49106 -46.9553 GPRESSAVG: 152800 -9.00847 44.5023 -6.55811 41.2206 71.2217 -5.52183 -8.93978 -7.2248 -46.4584 TIMING: 152800 CPU: 441.78, 0.00290863/step Wall: 441.78, 0.00290863/step, 3.91631 hours remaining, 203.652344 MB of memory in use. ENERGY: 152800 726.8907 2067.6001 1936.3066 115.3416 -206042.6805 17683.0523 0.0000 0.0000 34181.6675 -149331.8216 298.5170 -183513.4892 -149232.6606 298.0605 -64.4884 -30.4409 557741.1476 5.2044 5.2516 PRESSURE: 153000 -128.013 74.3518 156.649 74.3516 -234.319 -34.4145 156.648 -34.4135 31.4516 GPRESSURE: 153000 -99.3331 85.8232 92.5899 145.848 -143.244 23.3926 139.191 -61.8163 6.34925 PRESSAVG: 153000 -21.2841 12.7526 31.1405 12.7526 65.8641 10.4658 31.1404 10.4658 -67.9142 GPRESSAVG: 153000 -22.3913 12.4622 30.2783 14.4974 67.0032 9.40137 31.5158 14.1278 -67.6376 TIMING: 153000 CPU: 442.359, 0.0028966/step Wall: 442.359, 0.0028966/step, 3.89995 hours remaining, 203.652344 MB of memory in use. ENERGY: 153000 722.6918 2017.8609 1943.5226 122.4038 -205877.4048 17595.6083 0.0000 0.0000 34168.2827 -149307.0347 298.4001 -183475.3174 -149211.8444 298.6851 -110.2933 -78.7426 557891.1188 -7.7781 -7.6753 PRESSURE: 153200 73.4163 66.3495 -315.467 66.3498 3.68971 28.5424 -315.469 28.5406 291.557 GPRESSURE: 153200 61.7029 189.648 -242.972 28.1329 54.8646 16.4605 -280.502 35.7778 337.659 PRESSAVG: 153200 -17.39 58.8946 34.6207 58.8946 68.4926 32.3346 34.6208 32.3345 -48.62 GPRESSAVG: 153200 -17.2606 58.8285 33.7764 57.7691 68.5251 32.8955 36.0372 30.3683 -48.9089 TIMING: 153200 CPU: 442.936, 0.00288397/step Wall: 442.936, 0.00288397/step, 3.88278 hours remaining, 203.652344 MB of memory in use. ENERGY: 153200 707.6948 2074.2747 1951.4146 114.7548 -206293.0612 17909.2767 0.0000 0.0000 34318.2981 -149217.3475 299.7102 -183535.6456 -149121.4877 298.9526 122.8875 151.4087 557231.3993 0.8275 0.7852 PRESSURE: 153400 225.874 7.12566 -227.001 7.12487 8.01084 87.0239 -227.001 87.0225 -385.703 GPRESSURE: 153400 258.417 34.2522 -155.953 3.48577 13.3682 44.8742 -128.587 96.176 -313.508 PRESSAVG: 153400 64.4146 -10.3353 -4.56327 -10.3353 -66.6034 -9.87986 -4.56337 -9.87987 -5.14426 GPRESSAVG: 153400 65.0855 -9.00863 -3.09747 -10.8886 -66.5021 -8.87443 -6.62423 -11.4936 -5.58688 TIMING: 153400 CPU: 443.515, 0.00289362/step Wall: 443.515, 0.00289362/step, 3.89561 hours remaining, 203.652344 MB of memory in use. ENERGY: 153400 714.9719 2047.4358 1961.2559 116.0419 -205885.5993 17797.1579 0.0000 0.0000 34050.1243 -149198.6116 297.3682 -183248.7359 -149104.7168 298.9990 -50.6059 -13.9075 557684.4673 -2.4443 -2.3345 PRESSURE: 153600 144.025 218.288 -99.4982 218.287 -127.993 26.5559 -99.4989 26.5544 -29.6945 GPRESSURE: 153600 89.2426 239.537 -146.762 195.668 -34.5221 33.926 -69.238 38.5988 26.6333 PRESSAVG: 153600 15.3711 36.9648 25.0411 36.9649 -49.7713 -22.8079 25.041 -22.8079 -8.00022 GPRESSAVG: 153600 15.3335 35.3347 24.3191 36.5291 -50.8866 -23.106 24.3271 -21.1615 -6.74374 TIMING: 153600 CPU: 444.089, 0.00287269/step Wall: 444.089, 0.00287269/step, 3.86727 hours remaining, 203.652344 MB of memory in use. ENERGY: 153600 740.1466 2103.2123 1945.3858 124.4437 -206167.7521 17795.2609 0.0000 0.0000 34207.2594 -149252.0434 298.7405 -183459.3029 -149157.3843 299.3222 -4.5541 27.1179 557693.6938 -14.1335 -14.0990 PRESSURE: 153800 -184.519 -33.0791 -100.82 -33.0787 -182.682 85.3913 -100.819 85.3908 -194.707 GPRESSURE: 153800 -165.961 17.4685 -83.0804 -35.3821 -137.137 116.14 -91.6753 95.2065 -167.606 PRESSAVG: 153800 40.6057 -67.3623 -8.70077 -67.3623 19.2424 -4.44046 -8.70075 -4.44043 0.739006 GPRESSAVG: 153800 41.4421 -67.0641 -9.61591 -67.3544 20.2281 -5.19231 -7.327 -3.96057 -0.892983 TIMING: 153800 CPU: 444.668, 0.00289319/step Wall: 444.668, 0.00289319/step, 3.89471 hours remaining, 203.652344 MB of memory in use. ENERGY: 153800 756.8918 2154.2029 1929.6085 128.5495 -205904.3133 17518.1786 0.0000 0.0000 34207.1725 -149209.7095 298.7397 -183416.8820 -149110.6405 299.0746 -187.3028 -156.9015 558902.8990 20.1957 20.2591 PRESSURE: 154000 40.3807 -82.1867 26.6274 -82.1864 64.8831 -143.26 26.6269 -143.26 -302.23 GPRESSURE: 154000 86.04 28.3736 0.0866665 -104.884 56.1027 -176.725 14.9541 -149.324 -234.357 PRESSAVG: 154000 94.3306 -35.2626 -33.3177 -35.2626 -54.6974 -76.4469 -33.3178 -76.4469 -39.9598 GPRESSAVG: 154000 93.9113 -36.2959 -33.1585 -33.6586 -54.0539 -76.4242 -32.6282 -76.8945 -40.2348 TIMING: 154000 CPU: 445.249, 0.00290682/step Wall: 445.249, 0.00290682/step, 3.9129 hours remaining, 203.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 154000 756.0762 2044.9613 1947.2282 116.9380 -206028.6417 17684.6686 0.0000 0.0000 34136.8964 -149341.8732 298.1260 -183478.7696 -149245.5081 298.8148 -65.6553 -30.7380 558314.7729 -0.1089 -0.1258 PRESSURE: 154200 396.713 113.577 11.8668 113.577 235.611 -36.0215 11.8651 -36.0197 326.837 GPRESSURE: 154200 495.877 148.267 -1.54737 45.1811 218.858 -80.0326 64.2585 -10.0583 335.582 PRESSAVG: 154200 26.8652 21.119 36.7882 21.119 -32.8661 -35.6708 36.7882 -35.6708 53.4838 GPRESSAVG: 154200 27.0922 21.8602 36.7948 19.198 -33.3094 -35.9515 36.497 -34.5174 54.2008 TIMING: 154200 CPU: 445.837, 0.00294/step Wall: 445.837, 0.00294/step, 3.9574 hours remaining, 203.652344 MB of memory in use. ENERGY: 154200 766.2858 2109.8192 1966.7555 121.8031 -206632.6097 18197.1630 0.0000 0.0000 34193.9567 -149276.8264 298.6243 -183470.7831 -149178.7436 299.0238 319.7204 350.1056 556433.1451 15.8276 15.9945 PRESSURE: 154400 -182.549 31.2046 -153.763 31.2051 -312.642 -13.0464 -153.763 -13.0462 -241.654 GPRESSURE: 154400 -143.347 42.6499 -107.544 -14.8845 -244.266 30.4021 -84.0177 23.0421 -254.642 PRESSAVG: 154400 -48.6024 -5.53682 -47.8463 -5.53668 4.71475 -33.2945 -47.8463 -33.2945 4.98148 GPRESSAVG: 154400 -49.4346 -4.86937 -47.9651 -3.38119 4.12857 -33.9206 -47.9804 -32.7001 5.9117 TIMING: 154400 CPU: 446.421, 0.002919/step Wall: 446.421, 0.002919/step, 3.92898 hours remaining, 203.652344 MB of memory in use. ENERGY: 154400 751.3192 2086.8389 1976.3837 125.0825 -205963.8211 17412.5959 0.0000 0.0000 34287.6808 -149323.9201 299.4428 -183611.6008 -149222.7249 298.6439 -245.6152 -214.0851 557172.6260 -12.9687 -13.1315 PRESSURE: 154600 -5.81091 1.85762 -5.55609 1.85694 -64.2253 126.632 -5.55663 126.631 -2.46777 GPRESSURE: 154600 31.8372 -12.1915 61.1156 -39.5985 -69.1273 105.492 -23.3399 131.917 36.244 PRESSAVG: 154600 -54.0177 -10.5043 1.40573 -10.5043 31.5833 -25.1512 1.40565 -25.1511 54.0052 GPRESSAVG: 154600 -54.1744 -10.5708 2.35678 -13.1656 30.8342 -23.5641 2.2976 -24.6717 54.7241 TIMING: 154600 CPU: 446.998, 0.00288505/step Wall: 446.998, 0.00288505/step, 3.88311 hours remaining, 203.652344 MB of memory in use. ENERGY: 154600 746.1326 2088.2397 1965.0549 110.1345 -206038.6966 17633.5314 0.0000 0.0000 34393.0009 -149102.6027 300.3626 -183495.6035 -148998.6517 299.9304 -24.1680 -0.3487 557347.4958 10.5236 10.4613 PRESSURE: 154800 -59.8056 86.9286 159.133 86.9271 -394.08 1.26841 159.133 1.26674 -210.104 GPRESSURE: 154800 -80.6003 62.6278 142.336 150.805 -374.666 23.9158 170.841 -40.4751 -108.395 PRESSAVG: 154800 4.05859 -11.6293 71.4977 -11.6292 -28.1562 -14.9518 71.4977 -14.9517 28.9515 GPRESSAVG: 154800 5.06601 -11.0219 71.8419 -10.1519 -27.1069 -16.7343 70.1413 -14.6099 26.5292 TIMING: 154800 CPU: 447.576, 0.00288907/step Wall: 447.576, 0.00288907/step, 3.88836 hours remaining, 203.851562 MB of memory in use. ENERGY: 154800 763.4050 2066.8932 1965.0830 110.0592 -205869.9766 17523.8905 0.0000 0.0000 34314.0254 -149126.6203 299.6729 -183440.6457 -149035.4732 300.1323 -221.3298 -187.8871 556683.7562 1.6180 1.4961 PRESSURE: 155000 -85.9961 -81.0186 41.748 -81.019 148.396 -32.8242 41.7478 -32.8257 109.948 GPRESSURE: 155000 -67.9677 -20.5213 53.8626 -123.858 182.083 23.9873 51.0638 -55.1486 161.975 PRESSAVG: 155000 -0.949375 32.2677 36.9621 32.2675 -26.3467 -7.42377 36.9621 -7.42382 44.4305 GPRESSAVG: 155000 -0.97244 31.1635 38.0179 31.6151 -27.4376 -6.34606 36.2085 -10.1992 45.5394 TIMING: 155000 CPU: 448.156, 0.00290036/step Wall: 448.156, 0.00290036/step, 3.9034 hours remaining, 203.851562 MB of memory in use. ENERGY: 155000 769.1385 2078.4404 1936.7652 123.2581 -206358.9313 17946.3680 0.0000 0.0000 34389.4080 -149115.5532 300.3313 -183504.9612 -149017.5563 299.8973 57.4490 92.0303 555316.4118 5.7115 5.7098 PRESSURE: 155200 1.76132 -47.2458 50.1413 -47.2467 49.3311 -60.524 50.1407 -60.5257 -48.6629 GPRESSURE: 155200 19.4207 -114.688 77.9749 -77.9306 94.8972 -117.764 27.6924 -40.4663 -36.5937 PRESSAVG: 155200 7.34858 -37.9288 -25.2062 -37.9288 -29.4491 1.89546 -25.2062 1.89554 13.1774 GPRESSAVG: 155200 5.94865 -37.8595 -27.523 -35.164 -28.557 1.39306 -24.4654 4.45168 13.6755 TIMING: 155200 CPU: 448.733, 0.00288323/step Wall: 448.733, 0.00288323/step, 3.88019 hours remaining, 203.851562 MB of memory in use. ENERGY: 155200 721.9981 2109.6604 1929.7931 110.7969 -205874.8072 17636.1201 0.0000 0.0000 34234.6720 -149131.7667 298.9799 -183366.4386 -149033.5382 299.6071 0.8098 25.9081 557494.8271 -2.9744 -2.9776 PRESSURE: 155400 -143.331 -21.6467 -119.601 -21.6468 49.2532 -49.1239 -119.601 -49.1219 -156.184 GPRESSURE: 155400 -32.6049 48.0287 -109.076 -124.155 20.8976 -14.0856 -148.12 13.2282 -139.659 PRESSAVG: 155400 27.0666 11.9438 -17.7422 11.9437 37.0803 10.5653 -17.7422 10.5653 -51.2232 GPRESSAVG: 155400 27.3537 11.5484 -15.4082 9.19312 36.9984 9.60616 -17.1899 9.45951 -51.4116 TIMING: 155400 CPU: 449.306, 0.00286676/step Wall: 449.306, 0.00286676/step, 3.85787 hours remaining, 203.851562 MB of memory in use. ENERGY: 155400 710.7823 2099.5718 1943.5164 105.1148 -205793.4373 17660.9492 0.0000 0.0000 34059.3874 -149214.1153 297.4491 -183273.5027 -149116.8599 299.8945 -83.4203 -50.4556 558085.4603 4.3079 4.3135 PRESSURE: 155600 -0.50548 -13.1063 -132.939 -13.1062 -316.756 -128.527 -132.939 -128.527 -390.403 GPRESSURE: 155600 -2.75741 -35.0363 -92.1953 -20.4332 -249.968 -129.505 -127.598 -210.957 -353.877 PRESSAVG: 155600 4.34072 18.4319 -12.395 18.4319 -43.01 26.2063 -12.395 26.2064 13.963 GPRESSAVG: 155600 5.69376 18.3341 -12.1108 17.5959 -42.6631 27.7955 -13.1948 26.7542 12.6216 TIMING: 155600 CPU: 449.88, 0.00287178/step Wall: 449.88, 0.00287178/step, 3.86446 hours remaining, 203.851562 MB of memory in use. ENERGY: 155600 747.1677 2097.0207 1957.9969 111.0602 -205621.8394 17418.5643 0.0000 0.0000 34380.8309 -148909.1987 300.2563 -183290.0296 -148811.1474 299.4745 -235.8881 -202.2006 558611.5707 -8.2354 -8.1159 PRESSURE: 155800 124.875 94.1215 84.3276 94.1226 193.146 -48.6901 84.3284 -48.6897 -43.4603 GPRESSURE: 155800 172.266 13.132 104.453 110.058 225.793 -72.5133 15.7356 -60.5393 -36.3723 PRESSAVG: 155800 83.9176 27.6427 -1.23742 27.6427 41.1755 -45.8303 -1.23743 -45.8302 -80.21 GPRESSAVG: 155800 83.5037 27.533 -3.35562 29.6455 40.7842 -46.0833 -1.14364 -45.7719 -79.2401 TIMING: 155800 CPU: 450.454, 0.00287115/step Wall: 450.454, 0.00287115/step, 3.86345 hours remaining, 203.851562 MB of memory in use. ENERGY: 155800 753.3322 2081.3356 1943.3508 116.3927 -206213.7086 18046.5055 0.0000 0.0000 34541.2154 -148731.5764 301.6570 -183272.7919 -148635.6730 300.3370 91.5202 120.5624 557712.2231 14.9610 15.0159 PRESSURE: 156000 48.3608 -113.249 -75.9307 -113.25 -137.166 115.981 -75.9301 115.982 -99.6989 GPRESSURE: 156000 89.8197 -86.4834 -45.5948 -97.1772 -132.678 69.8646 -83.2245 95.6046 -55.1488 PRESSAVG: 156000 0.0924242 26.7097 28.1845 26.7096 12.0821 60.9453 28.1845 60.9452 -21.5717 GPRESSAVG: 156000 -0.21925 27.8106 28.5795 27.1002 12.6456 61.7344 29.1622 60.1828 -21.7804 TIMING: 156000 CPU: 451.036, 0.00290992/step Wall: 451.036, 0.00290992/step, 3.91546 hours remaining, 203.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 156000 716.6819 2084.6725 1949.3109 106.9330 -206115.6517 17956.2359 0.0000 0.0000 34342.3481 -148959.4694 299.9203 -183301.8175 -148863.9273 300.1165 -62.8346 -32.6689 560793.6654 -3.1324 -3.1180 PRESSURE: 156200 74.51 -60.5276 65.6427 -60.528 176.472 13.046 65.6419 13.0464 175.238 GPRESSURE: 156200 40.262 -53.9576 30.0124 13.6633 203.27 -46.2725 96.6876 -29.3168 268.482 PRESSAVG: 156200 -1.15137 -3.24284 9.74404 -3.24289 43.0033 11.9348 9.74407 11.935 -19.1918 GPRESSAVG: 156200 -2.10193 -4.12207 10.394 -3.64792 43.6287 11.0895 9.09969 12.7401 -18.9358 TIMING: 156200 CPU: 451.612, 0.00287787/step Wall: 451.612, 0.00287787/step, 3.87217 hours remaining, 203.851562 MB of memory in use. ENERGY: 156200 753.3284 2112.3056 1983.9814 110.2675 -206033.3709 17999.9912 0.0000 0.0000 34214.7527 -148858.7441 298.8059 -183073.4968 -148760.1624 300.3632 142.0737 170.6715 558268.8130 7.5534 7.5303 LDB: ============= START OF LOAD BALANCING ============== 454.999 LDB: ============== END OF LOAD BALANCING =============== 454.999 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 455 LDB: ============= START OF LOAD BALANCING ============== 455.293 LDB: Largest compute 4822 load 0.024052 is 20.4% of average load 0.117788 LDB: Average compute 0.001707 is 1.4% of average load 0.117788 LDB: TIME 455.295 LOAD: AVG 0.117788 MAX 0.179048 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.445 MB LDB: TIME 455.295 LOAD: AVG 0.117788 MAX 0.179048 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.445 MB LDB: TIME 455.296 LOAD: AVG 0.117788 MAX 0.179048 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 455.297 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 455.301 PRESSURE: 156400 -19.7491 -11.6012 -103.286 -11.6009 -20.6254 10.5075 -103.284 10.5077 -232.07 GPRESSURE: 156400 14.4702 66.4341 -125.572 -119.135 14.2838 8.71063 -1.87729 -18.2953 -209.834 PRESSAVG: 156400 0.254533 -6.88043 -48.0571 -6.88034 36.0698 -49.2163 -48.0572 -49.2164 -10.1582 GPRESSAVG: 156400 1.43716 -5.92307 -47.8671 -6.7298 36.0307 -49.4794 -47.6064 -49.3171 -11.1772 TIMING: 156400 CPU: 452.206, 0.00296863/step Wall: 452.206, 0.00296863/step, 3.99413 hours remaining, 203.652344 MB of memory in use. ENERGY: 156400 741.6928 2100.2769 1952.3602 125.3339 -205897.5329 17620.6244 0.0000 0.0000 34496.5843 -148860.6604 301.2673 -183357.2448 -148765.5373 300.3793 -90.8147 -60.3600 558599.0506 8.7221 8.7635 PRESSURE: 156600 -15.8757 22.4869 33.3056 22.4873 36.8689 189.217 33.3048 189.216 -0.944677 GPRESSURE: 156600 -8.46266 -48.7764 8.98588 -34.9296 75.6985 87.331 54.6921 237.342 29.5068 PRESSAVG: 156600 -18.9864 60.507 0.760221 60.5071 -2.29626 10.4412 0.760223 10.4413 12.3135 GPRESSAVG: 156600 -19.2612 59.6432 0.205276 61.1058 -1.69205 9.55233 2.16972 11.271 11.4864 TIMING: 156600 CPU: 452.787, 0.00290727/step Wall: 452.787, 0.00290727/step, 3.9114 hours remaining, 203.652344 MB of memory in use. ENERGY: 156600 709.9286 2124.7853 1936.6894 108.6752 -205924.5120 17771.5844 0.0000 0.0000 34411.6955 -148861.1536 300.5259 -183272.8491 -148767.0126 300.1554 6.6828 32.2475 560080.1475 -2.9897 -3.1556 PRESSURE: 156800 81.5529 -53.3471 19.2261 -53.3458 -156.897 -115.343 19.2251 -115.343 228.071 GPRESSURE: 156800 71.2991 -50.8217 80.9075 -12.7783 -93.3199 -159.164 -8.35265 -80.5599 265.435 PRESSAVG: 156800 -22.0828 -96.1852 -20.1338 -96.1851 11.7036 -4.72387 -20.1339 -4.72378 8.15304 GPRESSAVG: 156800 -21.4356 -94.1699 -20.0362 -97.1763 10.0096 -6.29139 -19.3549 -4.57862 8.7668 TIMING: 156800 CPU: 453.368, 0.00290448/step Wall: 453.368, 0.00290448/step, 3.90749 hours remaining, 203.652344 MB of memory in use. ENERGY: 156800 725.7749 2047.3509 1973.9793 115.6427 -206236.3341 17871.4247 0.0000 0.0000 34616.3180 -148885.8437 302.3129 -183502.1617 -148787.4193 300.4299 50.9088 81.1382 557254.3036 -0.7421 -0.8864 PRESSURE: 157000 -23.7408 -60.6192 2.0232 -60.6185 -101.573 174.007 2.0221 174.007 -80.1281 GPRESSURE: 157000 -20.8788 12.0312 26.73 -10.8367 -54.0736 226.261 -9.5404 167.72 -30.732 PRESSAVG: 157000 35.9668 2.16518 28.7471 2.1652 13.3327 -24.6564 28.7471 -24.6564 -57.2489 GPRESSAVG: 157000 33.4079 2.11658 27.9772 2.15338 14.5492 -22.6855 25.694 -26.1262 -56.2128 TIMING: 157000 CPU: 453.944, 0.00288077/step Wall: 453.944, 0.00288077/step, 3.87543 hours remaining, 203.652344 MB of memory in use. ENERGY: 157000 722.5113 2117.8998 1953.9253 124.4475 -205910.5670 17640.3735 0.0000 0.0000 34388.3852 -148963.0244 300.3223 -183351.4096 -148867.7062 300.9028 -68.4805 -35.2281 557951.6279 -2.6498 -2.7519 PRESSURE: 157200 175.596 -180.165 -21.8164 -180.165 160.963 98.0717 -21.8169 98.0718 0.586959 GPRESSURE: 157200 213.151 -194.049 104.45 -184.128 164.072 7.11568 -96.2961 104.565 53.0999 PRESSAVG: 157200 -29.3469 38.8025 -22.7499 38.8026 10.4301 -54.7436 -22.7498 -54.7436 41.2675 GPRESSAVG: 157200 -27.8591 38.0646 -21.4387 39.5308 9.35861 -56.5327 -20.9953 -53.3395 41.1756 TIMING: 157200 CPU: 454.523, 0.00289131/step Wall: 454.523, 0.00289131/step, 3.88946 hours remaining, 203.652344 MB of memory in use. ENERGY: 157200 713.7392 2089.1793 1962.5326 119.1155 -206516.7543 18026.0528 0.0000 0.0000 34339.0870 -149267.0478 299.8918 -183606.1349 -149178.7235 299.6643 112.3818 143.4409 556520.3536 7.4503 7.5584 PRESSURE: 157400 62.2827 34.4016 20.6053 34.4015 114.753 -99.9449 20.6051 -99.9463 -72.2816 GPRESSURE: 157400 164.825 33.1527 8.68667 10.4238 79.8533 -128.134 55.851 41.0438 -49.8277 PRESSAVG: 157400 -62.7185 2.2497 -30.2091 2.24964 -7.05379 50.2953 -30.2092 50.2952 30.2383 GPRESSAVG: 157400 -63.0403 -0.328669 -30.0285 4.15654 -6.71382 52.7477 -30.8353 49.5974 30.2149 TIMING: 157400 CPU: 455.098, 0.00287973/step Wall: 455.098, 0.00287973/step, 3.87371 hours remaining, 203.652344 MB of memory in use. ENERGY: 157400 736.1240 2048.2433 1927.8163 106.0417 -205986.7427 17685.5371 0.0000 0.0000 34394.3059 -149088.6745 300.3740 -183482.9803 -148989.2645 299.3400 34.9180 64.9502 557158.4595 -13.1780 -13.1797 PRESSURE: 157600 98.225 164.21 114.072 164.21 -118.64 143.189 114.071 143.188 100.767 GPRESSURE: 157600 133.07 130.865 121.276 202.851 -115.661 159.657 164.684 19.5704 160.271 PRESSAVG: 157600 13.7616 3.54615 -8.40819 3.54615 3.41037 -11.1275 -8.40822 -11.1274 -24.6661 GPRESSAVG: 157600 14.88 5.73277 -7.84431 1.72414 1.63485 -14.236 -10.1053 -10.454 -24.3434 TIMING: 157600 CPU: 455.678, 0.00289552/step Wall: 455.678, 0.00289552/step, 3.89479 hours remaining, 203.652344 MB of memory in use. ENERGY: 157600 751.8199 2116.4116 1926.6390 109.7025 -206458.7650 17850.0687 0.0000 0.0000 34486.8769 -149217.2463 301.1825 -183704.1232 -149122.5226 299.3778 26.7840 59.2265 556702.5773 -2.4981 -2.6095 PRESSURE: 157800 -183.661 64.858 -36.1755 64.8581 -207.462 175.181 -36.1754 175.181 -53.6224 GPRESSURE: 157800 -212.686 34.9839 -92.5598 30.3237 -127.383 97.9324 26.7741 186.825 -17.5425 PRESSAVG: 157800 5.68978 65.9763 39.8557 65.9763 20.3341 47.1195 39.8557 47.1196 -33.7533 GPRESSAVG: 157800 4.16141 66.3595 39.85 65.6245 22.0778 49.0869 39.1083 45.7914 -33.2541 TIMING: 157800 CPU: 456.258, 0.00290071/step Wall: 456.258, 0.00290071/step, 3.90161 hours remaining, 203.652344 MB of memory in use. ENERGY: 157800 794.9734 2069.7077 1941.0231 107.4424 -206219.0999 17632.3888 0.0000 0.0000 34418.6521 -149254.9125 300.5866 -183673.5645 -149157.2633 299.8460 -148.2483 -119.2039 556072.5048 -2.5765 -2.3383 PRESSURE: 158000 63.2158 101.657 110.758 101.656 -211.311 24.1103 110.758 24.11 -236.533 GPRESSURE: 158000 87.9396 77.2462 124.935 120.642 -147.723 95.826 209.683 -92.4974 -242.718 PRESSAVG: 158000 -6.31141 -40.8205 12.6872 -40.8205 64.6029 8.66714 12.6871 8.66715 -10.847 GPRESSAVG: 158000 -6.07749 -42.2842 11.7344 -39.7068 63.9786 9.0733 15.9575 7.64078 -10.3791 TIMING: 158000 CPU: 456.837, 0.00289661/step Wall: 456.837, 0.00289661/step, 3.89594 hours remaining, 203.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 158000 713.2829 2069.0744 1942.8611 114.0139 -205945.8219 17600.2870 0.0000 0.0000 34308.1605 -149198.1422 299.6217 -183506.3027 -149101.3204 299.4665 -128.2096 -100.8337 558954.8274 15.8148 15.8407 PRESSURE: 158200 80.4736 50.4898 89.8568 50.49 -152.36 79.4422 89.857 79.441 -3.08502 GPRESSURE: 158200 141.619 58.6784 46.3573 92.1934 -124.023 74.745 111.655 124.731 -7.32966 PRESSAVG: 158200 -0.156086 23.8363 46.8442 23.8363 66.3194 47.8908 46.8441 47.8908 -71.8559 GPRESSAVG: 158200 1.30982 27.8417 47.2756 21.6335 66.7762 47.3538 45.4415 49.4057 -73.4829 TIMING: 158200 CPU: 457.419, 0.0029101/step Wall: 457.419, 0.0029101/step, 3.91393 hours remaining, 203.652344 MB of memory in use. ENERGY: 158200 742.0676 2114.6135 1950.2493 120.7123 -206174.2264 17758.4703 0.0000 0.0000 34195.7697 -149292.3436 298.6402 -183488.1133 -149199.7880 298.7684 -24.9904 3.4222 558238.6667 -1.8975 -1.7990 PRESSURE: 158400 -180.31 33.2454 -207.311 33.2443 -31.1977 -147.498 -207.311 -147.499 49.4292 GPRESSURE: 158400 -122.249 83.704 -287.113 -19.2541 -17.4647 26.085 -149.744 -159.265 82.6491 PRESSAVG: 158400 -2.86688 59.9646 -34.8656 59.9646 -27.6846 43.9171 -34.8656 43.917 5.98387 GPRESSAVG: 158400 -3.42828 56.0959 -38.0753 60.6245 -27.67 44.7195 -34.4252 43.9891 6.73557 TIMING: 158400 CPU: 457.999, 0.0028998/step Wall: 457.999, 0.0028998/step, 3.8999 hours remaining, 203.652344 MB of memory in use. ENERGY: 158400 771.4583 2114.0034 1964.8363 107.4098 -206175.2923 17818.3406 0.0000 0.0000 34131.7898 -149267.4539 298.0814 -183399.2438 -149162.6052 298.5782 -54.0262 -19.0215 559039.2881 -8.1892 -8.1209 PRESSURE: 158600 -126.815 -74.8934 47.4048 -74.8942 15.6247 76.8971 47.4042 76.8982 -61.0613 GPRESSURE: 158600 -118.721 -80.6932 -21.6201 -117.527 66.2585 59.8898 98.7082 -6.19441 -21.1943 PRESSAVG: 158600 -53.7417 -2.38233 34.9101 -2.38239 84.2675 12.7698 34.9101 12.7698 -9.762 GPRESSAVG: 158600 -53.4191 -2.66619 37.3752 -1.41563 84.199 12.5683 33.5227 12.0498 -9.93707 TIMING: 158600 CPU: 458.578, 0.00289275/step Wall: 458.578, 0.00289275/step, 3.89027 hours remaining, 203.652344 MB of memory in use. ENERGY: 158600 721.9950 2144.1496 1947.2123 113.8619 -206297.9211 17772.4119 0.0000 0.0000 34342.3173 -149255.9729 299.9200 -183598.2902 -149161.1357 299.5027 -57.4173 -24.5523 558709.9968 6.9213 6.9476 PRESSURE: 158800 -194.662 49.0435 94.1044 49.0434 -108.67 41.837 94.1048 41.8371 -39.3683 GPRESSURE: 158800 -140.577 85.0794 170.42 8.26839 -111.886 17.8533 102.132 104.476 14.3157 PRESSAVG: 158800 -40.789 17.7668 27.825 17.7668 -24.1887 -23.7807 27.825 -23.7808 16.872 GPRESSAVG: 158800 -40.1712 18.005 27.4825 16.0439 -24.6492 -23.0879 28.0747 -22.9648 16.4498 TIMING: 158800 CPU: 459.161, 0.00291735/step Wall: 459.161, 0.00291735/step, 3.92318 hours remaining, 203.652344 MB of memory in use. ENERGY: 158800 749.1922 2075.5890 1960.5794 109.8355 -206157.0812 17826.4937 0.0000 0.0000 34121.7039 -149313.6874 297.9933 -183435.3913 -149217.1495 298.5079 -114.2337 -79.3823 560595.3240 -16.0352 -16.1236 PRESSURE: 159000 -176.629 -80.5681 -20.2629 -80.5678 -328.767 34.4975 -20.2629 34.4976 202.76 GPRESSURE: 159000 -82.9188 -108.528 -99.1258 -60.0451 -291.813 0.219282 -10.1904 7.49117 182.31 PRESSAVG: 159000 0.952049 64.2527 -16.9071 64.2525 -32.6095 -60.2024 -16.9072 -60.2025 -34.2387 GPRESSAVG: 159000 1.92118 64.1719 -16.3997 65.2608 -33.743 -61.1708 -16.6593 -61.2149 -34.0085 TIMING: 159000 CPU: 459.743, 0.00291193/step Wall: 459.743, 0.00291193/step, 3.91574 hours remaining, 203.652344 MB of memory in use. ENERGY: 159000 720.6036 2006.3632 1933.2205 107.8774 -205835.1575 17709.2034 0.0000 0.0000 34350.9254 -149006.9640 299.9952 -183357.8894 -148909.0295 299.7983 -100.8790 -64.1404 559814.1229 -21.9654 -21.9434 PRESSURE: 159200 112.334 88.9555 -79.084 88.956 27.2084 134.621 -79.085 134.621 -91.8278 GPRESSURE: 159200 166.983 68.0581 -20.3587 80.5896 39.1749 128.675 -150.617 126.015 -50.8919 PRESSAVG: 159200 53.0702 59.1214 -4.26515 59.1214 8.72962 -0.879685 -4.26523 -0.879797 -25.3314 GPRESSAVG: 159200 52.1958 61.0168 -4.42133 59.8271 9.24621 0.304425 -3.02748 -2.43475 -24.8547 TIMING: 159200 CPU: 460.324, 0.00290156/step Wall: 460.324, 0.00290156/step, 3.90163 hours remaining, 203.652344 MB of memory in use. ENERGY: 159200 759.7067 2125.0927 1933.5748 116.9860 -205754.8322 17675.1890 0.0000 0.0000 34147.3760 -148996.9069 298.2175 -183144.2829 -148907.7797 299.4071 15.9049 51.7554 557366.6376 12.1561 12.1957 PRESSURE: 159400 -10.1107 38.0003 -146.911 37.9993 66.2646 17.7215 -146.911 17.7212 -18.4135 GPRESSURE: 159400 -32.8743 71.9032 -130.45 30.1074 114.762 -85.86 -158.705 40.2065 58.2166 PRESSAVG: 159400 63.0209 44.0113 -63.3919 44.0113 -43.9964 31.5765 -63.3919 31.5765 -17.5462 GPRESSAVG: 159400 62.2099 43.0209 -62.9941 42.7293 -43.4169 29.1947 -65.1305 34.405 -17.0432 TIMING: 159400 CPU: 460.904, 0.00290071/step Wall: 460.904, 0.00290071/step, 3.90033 hours remaining, 203.652344 MB of memory in use. ENERGY: 159400 736.5624 2091.7865 1964.5023 114.2655 -206110.4002 17860.2105 0.0000 0.0000 34350.9127 -148992.1602 299.9951 -183343.0729 -148895.3738 299.5661 12.5801 46.7016 558805.3559 0.4928 0.5833 PRESSURE: 159600 -35.5671 161.8 -52.7371 161.799 -214.94 -148.314 -52.7363 -148.314 -21.8316 GPRESSURE: 159600 -79.9623 114.509 -33.741 144.239 -136.906 -179.973 -13.7495 -56.9946 48.5581 PRESSAVG: 159600 -39.724 41.6132 -59.1608 41.6132 14.3806 -29.7556 -59.1608 -29.7555 47.6409 GPRESSAVG: 159600 -38.6415 43.0232 -60.7059 41.9496 14.9321 -28.8518 -57.1464 -29.3896 46.403 TIMING: 159600 CPU: 461.484, 0.00289884/step Wall: 461.484, 0.00289884/step, 3.89766 hours remaining, 203.652344 MB of memory in use. ENERGY: 159600 746.3886 2127.6891 1938.9351 107.4473 -205940.0540 17719.1478 0.0000 0.0000 34349.7316 -148950.7146 299.9847 -183300.4462 -148851.4119 299.9938 -90.7794 -56.1035 558421.8128 7.4325 7.5645 PRESSURE: 159800 343.123 148.781 -53.3194 148.78 15.5914 -57.9754 -53.3199 -57.9755 261.002 GPRESSURE: 159800 329.4 135.99 -80.1207 165.185 58.6259 -100.348 -148.821 -65.0972 329.15 PRESSAVG: 159800 58.4187 22.2533 9.13768 22.2533 -99.4727 4.16497 9.1378 4.16489 74.1084 GPRESSAVG: 159800 57.9872 22.528 8.88123 22.9731 -99.7196 7.91606 8.23865 -0.372192 74.4541 TIMING: 159800 CPU: 462.061, 0.00288513/step Wall: 462.061, 0.00288513/step, 3.87905 hours remaining, 203.652344 MB of memory in use. ENERGY: 159800 718.1660 2089.2733 1959.5695 115.3894 -206207.4393 18049.5766 0.0000 0.0000 34207.3300 -149068.1344 298.7411 -183275.4644 -148970.9828 299.8313 206.5720 239.0587 557647.7627 11.0181 10.9072 PRESSURE: 160000 13.2198 6.13979 18.1443 6.13967 -112.209 -65.0708 18.145 -65.0707 -49.5326 GPRESSURE: 160000 52.6678 -74.323 6.26194 33.1149 -107.398 -61.3955 118.919 -81.5865 3.65644 PRESSAVG: 160000 74.2941 -16.7816 31.5553 -16.7817 -59.3362 -49.9404 31.5553 -49.9404 -34.2776 GPRESSAVG: 160000 74.0482 -19.161 30.2821 -15.6781 -58.8788 -53.0086 32.2974 -46.8445 -34.6553 TIMING: 160000 CPU: 462.638, 0.002888/step Wall: 462.638, 0.002888/step, 3.88275 hours remaining, 203.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 160000 758.0915 2038.2828 1951.4047 99.4092 -205780.4046 17672.6901 0.0000 0.0000 34287.8838 -148972.6425 299.4446 -183260.5262 -148884.8157 299.8186 -49.5072 -17.0247 558028.0771 -6.4399 -6.4953 PRESSURE: 160200 67.7061 4.71893 -86.0291 4.71944 307.489 -27.5174 -86.0291 -27.5179 156.906 GPRESSURE: 160200 138.256 -63.8472 -150.636 2.47549 333.336 -141.615 -16.2444 8.76696 154.17 PRESSAVG: 160200 43.2188 31.0885 -24.4886 31.0885 -57.4065 7.88523 -24.4887 7.88528 -6.94107 GPRESSAVG: 160200 44.0349 31.8551 -22.8288 27.6896 -57.938 9.54357 -24.4593 7.22092 -7.63294 TIMING: 160200 CPU: 463.215, 0.00288539/step Wall: 463.215, 0.00288539/step, 3.87908 hours remaining, 203.652344 MB of memory in use. ENERGY: 160200 715.8734 2116.2477 1952.8826 113.4361 -206606.7149 17944.6386 0.0000 0.0000 34618.9562 -149144.6803 302.3360 -183763.6365 -149047.3553 299.9319 177.3670 208.5873 557126.0157 -7.0429 -7.1787 LDB: ============= START OF LOAD BALANCING ============== 466.598 LDB: ============== END OF LOAD BALANCING =============== 466.598 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 466.6 LDB: ============= START OF LOAD BALANCING ============== 466.887 LDB: Largest compute 4820 load 0.023831 is 20.2% of average load 0.117820 LDB: Average compute 0.001706 is 1.4% of average load 0.117820 LDB: TIME 466.889 LOAD: AVG 0.11782 MAX 0.179927 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.676 MB LDB: TIME 466.89 LOAD: AVG 0.11782 MAX 0.179927 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.676 MB LDB: TIME 466.89 LOAD: AVG 0.11782 MAX 0.179927 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.676 MB LDB: ============== END OF LOAD BALANCING =============== 466.891 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 466.896 PRESSURE: 160400 -33.7935 64.5438 7.50262 64.5436 -162.58 -56.7048 7.50464 -56.7058 38.6299 GPRESSURE: 160400 14.5549 94.0958 12.362 -47.3718 -124.583 -116.441 -0.396237 -74.6318 46.198 PRESSAVG: 160400 -23.4445 15.5507 1.88969 15.5505 -26.6364 -20.0113 1.8896 -20.0113 11.137 GPRESSAVG: 160400 -23.5527 16.0515 1.87092 17.4854 -27.1184 -21.8647 1.52538 -19.9439 11.8681 TIMING: 160400 CPU: 463.8, 0.00292341/step Wall: 463.8, 0.00292341/step, 3.93003 hours remaining, 206.472656 MB of memory in use. ENERGY: 160400 740.1734 2111.7067 1951.8637 106.8033 -206062.6326 17615.6632 0.0000 0.0000 34277.9143 -149258.5079 299.3576 -183536.4222 -149158.5779 299.1619 -52.5813 -21.2768 558447.6202 -12.9813 -12.9344 PRESSURE: 160600 186.182 -40.145 -52.3103 -40.146 4.04403 30.4293 -52.3105 30.4277 17.1577 GPRESSURE: 160600 218.902 -32.8982 -103.622 35.8904 46.593 16.9053 -16.0287 30.9052 42.9717 PRESSAVG: 160600 -69.8779 32.094 -60.4374 32.094 57.087 -3.53079 -60.4375 -3.53076 56.2623 GPRESSAVG: 160600 -69.163 32.5304 -60.5898 30.5383 57.0327 -4.46633 -59.1712 -2.18186 55.8899 TIMING: 160600 CPU: 464.375, 0.00287592/step Wall: 464.375, 0.00287592/step, 3.86603 hours remaining, 206.675781 MB of memory in use. ENERGY: 160600 768.3045 2078.2754 1977.6590 111.0646 -206508.2551 18194.7044 0.0000 0.0000 34160.0433 -149218.2039 298.3282 -183378.2473 -149127.5176 299.2590 69.1279 102.8224 557551.7174 14.4905 14.5865 PRESSURE: 160800 229.972 29.5877 181.181 29.5857 60.6267 -87.9061 181.182 -87.9066 85.7524 GPRESSURE: 160800 258.971 -2.61391 50.5659 129.306 111.889 -144.938 272.742 -43.107 107.532 PRESSAVG: 160800 -22.3628 -6.7724 -49.0288 -6.77248 30.7718 28.0423 -49.0288 28.0424 -40.7074 GPRESSAVG: 160800 -23.1791 -7.9208 -48.8695 -7.64932 31.9248 28.8664 -48.828 28.0346 -41.4398 TIMING: 160800 CPU: 464.952, 0.00288615/step Wall: 464.952, 0.00288615/step, 3.87963 hours remaining, 206.675781 MB of memory in use. ENERGY: 160800 765.5892 2015.4076 1981.6499 109.2455 -206283.3057 17900.5449 0.0000 0.0000 34221.2270 -149289.6417 298.8625 -183510.8687 -149196.7502 298.8341 125.4503 159.4638 555183.5555 -10.7661 -10.8980 PRESSURE: 161000 -146.574 -159.913 -50.8612 -159.914 -100.256 -67.7566 -50.8622 -67.7559 -125.999 GPRESSURE: 161000 -140.995 -124.479 -9.44652 -110.414 -51.8328 -146.26 -21.041 72.2274 -76.808 PRESSAVG: 161000 1.65963 -21.8855 9.94875 -21.8853 -14.56 -22.2378 9.94882 -22.2378 34.6072 GPRESSAVG: 161000 1.69156 -22.3767 10.4984 -20.9067 -14.9612 -23.3319 8.06812 -21.086 34.8049 TIMING: 161000 CPU: 465.533, 0.00290108/step Wall: 465.533, 0.00290108/step, 3.89953 hours remaining, 206.675781 MB of memory in use. ENERGY: 161000 752.6584 2107.0190 1938.4757 109.0011 -205921.5077 17394.6325 0.0000 0.0000 34111.0026 -149508.7185 297.8999 -183619.7210 -149409.9933 298.6670 -124.2764 -89.8785 556556.1079 7.2356 7.1784 PRESSURE: 161200 146.461 114.336 3.0177 114.337 211.089 97.6091 3.01779 97.6088 48.7313 GPRESSURE: 161200 164.04 41.176 55.7853 78.2096 269.895 2.49288 45.7569 199.699 68.9402 PRESSAVG: 161200 9.01061 15.7925 23.8015 15.7925 18.369 -38.1561 23.8014 -38.1561 -5.45726 GPRESSAVG: 161200 8.45825 15.6416 25.5077 17.5337 18.5286 -35.9182 22.6934 -40.8895 -4.47678 TIMING: 161200 CPU: 466.111, 0.00288962/step Wall: 466.111, 0.00288962/step, 3.88398 hours remaining, 206.675781 MB of memory in use. ENERGY: 161200 740.2344 2049.6604 1962.7594 113.0949 -206808.1672 18110.3377 0.0000 0.0000 34273.1215 -149558.9589 299.3157 -183832.0803 -149464.3020 298.3452 135.4272 167.6252 555518.1964 7.3075 7.5034 PRESSURE: 161400 -235.807 39.7684 -88.447 39.7682 -151.113 -81.3596 -88.4478 -81.3593 -207.833 GPRESSURE: 161400 -203.66 15.8409 -57.7427 110.047 -126.913 -54.8318 -46.1176 -89.7832 -170.28 PRESSAVG: 161400 22.1616 15.3977 -54.1398 15.3977 38.7266 27.1004 -54.1397 27.1002 -41.32 GPRESSAVG: 161400 23.5607 13.4258 -56.1824 16.5321 38.3518 27.0911 -53.1171 27.563 -42.1614 TIMING: 161400 CPU: 466.688, 0.00288859/step Wall: 466.688, 0.00288859/step, 3.88243 hours remaining, 206.675781 MB of memory in use. ENERGY: 161400 723.2208 2089.6633 1944.0937 102.7171 -206068.9820 17538.1242 0.0000 0.0000 34083.3278 -149587.8351 297.6582 -183671.1629 -149486.6109 298.5716 -198.2511 -166.9508 557774.4336 6.5228 6.5837 PRESSURE: 161600 53.439 -4.36606 -16.6744 -4.3672 -16.8788 -143.172 -16.6746 -143.172 -203.479 GPRESSURE: 161600 36.0193 16.2515 53.0566 -78.0087 23.1048 -116.294 17.406 -219.443 -139.329 PRESSAVG: 161600 86.8763 -8.37076 -16.2 -8.37077 -20.4885 -35.0154 -16.2 -35.0154 13.3722 GPRESSAVG: 161600 85.6007 -5.40084 -15.8502 -9.35727 -20.5795 -33.8283 -17.1514 -35.8502 14.398 TIMING: 161600 CPU: 467.267, 0.00289233/step Wall: 467.267, 0.00289233/step, 3.8873 hours remaining, 206.675781 MB of memory in use. ENERGY: 161600 753.7965 2033.6580 1948.1488 111.9335 -206596.6859 17896.6070 0.0000 0.0000 34104.3104 -149748.2316 297.8414 -183852.5420 -149652.0361 298.2821 -55.6394 -26.7351 557289.4846 26.5867 26.4731 PRESSURE: 161800 -239.454 -105.398 -19.3775 -105.397 -110.94 -114.377 -19.3769 -114.374 -49.8022 GPRESSURE: 161800 -179.537 -42.5322 39.4131 -117.357 -93.0504 -42.5719 5.43099 -119.924 -19.6524 PRESSAVG: 161800 30.4245 8.62115 -44.0712 8.62103 -30.9267 -6.76247 -44.0712 -6.76244 -20.7916 GPRESSAVG: 161800 30.1941 8.22315 -42.8983 9.19855 -30.9382 -6.26181 -41.8906 -7.69705 -20.4722 TIMING: 161800 CPU: 467.844, 0.00288458/step Wall: 467.844, 0.00288458/step, 3.87672 hours remaining, 206.675781 MB of memory in use. ENERGY: 161800 742.6415 1998.6672 1973.4594 117.8649 -206247.6050 17573.9494 0.0000 0.0000 34046.2187 -149794.8039 297.3341 -183841.0226 -149695.1124 297.4757 -133.3987 -97.4133 557197.6921 -7.0979 -7.0721 PRESSURE: 162000 62.7925 -53.9261 -65.9469 -53.9257 68.8936 -107.688 -65.9469 -107.688 -259.837 GPRESSURE: 162000 147.409 40.4305 -195.953 -164.595 46.1293 -117.336 -14.9194 -148.28 -253.033 PRESSAVG: 162000 66.7157 17.1318 -29.4285 17.1318 8.6271 -39.5133 -29.4285 -39.5132 2.7492 GPRESSAVG: 162000 67.044 17.5046 -31.5767 16.9023 9.07011 -41.9524 -29.2606 -37.2792 2.28353 TIMING: 162000 CPU: 468.424, 0.00290227/step Wall: 468.424, 0.00290227/step, 3.90033 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 162000 765.1453 2103.0986 1935.1629 101.4335 -206313.5850 17709.4356 0.0000 0.0000 33954.1645 -149745.1445 296.5302 -183699.3090 -149651.1395 297.3226 -42.7169 -19.8315 556570.4244 26.0307 26.1326 PRESSURE: 162200 184.77 164.513 247.883 164.512 196.219 58.0213 247.882 58.0197 -89.4574 GPRESSURE: 162200 211.75 212.197 200.967 84.6739 246.46 29.0654 296.172 101.71 -68.7502 PRESSAVG: 162200 34.1176 -34.5262 -28.3344 -34.5261 -8.29351 -51.6888 -28.3345 -51.6888 33.8627 GPRESSAVG: 162200 34.1238 -34.6748 -26.3845 -36.5826 -7.23704 -53.0465 -28.4116 -52.0726 32.9212 TIMING: 162200 CPU: 469.004, 0.00290007/step Wall: 469.004, 0.00290007/step, 3.89721 hours remaining, 206.675781 MB of memory in use. ENERGY: 162200 720.2436 2073.8360 1939.2710 119.4671 -206780.5184 17956.2038 0.0000 0.0000 34381.5895 -149589.9074 300.2630 -183971.4969 -149493.0754 298.2564 97.1771 129.8200 556617.2379 19.8956 19.9360 PRESSURE: 162400 -165.003 -113.983 -52.9996 -113.983 119.13 120.557 -52.9989 120.558 -408.283 GPRESSURE: 162400 -121.569 -75.6393 -70.1928 -55.1564 126.568 41.1554 -5.33323 211.931 -343.102 PRESSAVG: 162400 38.8894 -1.36836 -29.146 -1.3684 -5.20793 33.7128 -29.146 33.7128 -36.145 GPRESSAVG: 162400 38.2908 0.889149 -31.3391 -0.145216 -5.14401 34.2595 -30.287 34.1837 -34.9455 TIMING: 162400 CPU: 469.584, 0.0028974/step Wall: 469.584, 0.0028974/step, 3.89347 hours remaining, 206.675781 MB of memory in use. ENERGY: 162400 766.9145 2089.6747 1922.3708 120.9747 -206042.1247 17666.6551 0.0000 0.0000 34031.2527 -149444.2822 297.2034 -183475.5350 -149346.8036 298.6263 -151.3853 -112.7012 557434.3817 -0.8212 -0.5995 PRESSURE: 162600 -110.292 16.8882 35.3726 16.8878 183.614 106.9 35.3728 106.902 -197.588 GPRESSURE: 162600 -15.5299 75.0351 40.0677 -21.6693 205.084 127.704 109.784 100.24 -203.805 PRESSAVG: 162600 13.1126 -9.91765 -1.02995 -9.91766 21.9994 -56.6037 -1.02998 -56.6037 -61.4088 GPRESSAVG: 162600 14.3132 -9.51251 2.29012 -10.2202 21.3872 -54.8234 -3.92296 -57.2608 -61.6353 TIMING: 162600 CPU: 470.16, 0.00288159/step Wall: 470.16, 0.00288159/step, 3.87205 hours remaining, 206.675781 MB of memory in use. ENERGY: 162600 735.9780 2138.4654 1931.5197 114.1731 -206445.3211 17789.8302 0.0000 0.0000 34323.0597 -149412.2950 299.7518 -183735.3547 -149306.2713 298.8761 -41.4219 -4.7502 556028.8086 -8.7656 -8.6450 PRESSURE: 162800 -61.4189 -8.04214 -21.6843 -8.04246 1.53627 183.299 -21.6839 183.298 29.3429 GPRESSURE: 162800 -42.3609 33.0622 69.6208 0.00341352 22.9832 171.793 -67.9659 240.354 79.3103 PRESSAVG: 162800 22.0569 -72.1179 8.99263 -72.118 44.5315 14.1415 8.99264 14.1415 10.1808 GPRESSAVG: 162800 23.0723 -75.0936 7.78697 -70.1336 43.0401 13.1403 10.9405 14.896 10.721 TIMING: 162800 CPU: 470.735, 0.00287363/step Wall: 470.735, 0.00287363/step, 3.86121 hours remaining, 206.675781 MB of memory in use. ENERGY: 162800 740.7620 2132.7179 1953.7578 106.9701 -206354.8472 17682.9007 0.0000 0.0000 34491.7653 -149245.9733 301.2252 -183737.7387 -149143.6608 300.5883 -10.1799 19.9775 556160.6492 25.5897 25.6111 PRESSURE: 163000 -289.833 84.2216 -129.49 84.22 -228.647 4.21914 -129.489 4.21976 -48.4629 GPRESSURE: 163000 -234.017 25.1401 -195.959 67.1125 -245.96 24.4937 -81.6634 22.9596 7.87205 PRESSAVG: 163000 -46.7491 -26.4233 -7.90451 -26.4234 -9.72708 73.7711 -7.9045 73.7711 6.45718 GPRESSAVG: 163000 -47.5202 -23.8578 -7.81923 -28.7217 -9.26322 75.1082 -8.45247 74.2681 6.66741 TIMING: 163000 CPU: 471.309, 0.00287379/step Wall: 471.309, 0.00287379/step, 3.86125 hours remaining, 206.675781 MB of memory in use. ENERGY: 163000 724.5978 2172.6030 1948.8061 110.1424 -205994.5213 17480.4485 0.0000 0.0000 34390.8451 -149167.0782 300.3438 -183557.9234 -149068.9629 299.8984 -188.9808 -157.3682 557440.3084 -16.6730 -16.7053 PRESSURE: 163200 31.4362 -76.5776 -5.08193 -76.5768 31.015 150.166 -5.08306 150.166 38.0964 GPRESSURE: 163200 14.467 -71.7615 -19.6081 9.31417 102.723 132.64 13.3478 200.194 91.0813 PRESSAVG: 163200 -35.1072 5.50808 -4.55726 5.50823 53.6833 15.0709 -4.55725 15.071 27.0224 GPRESSAVG: 163200 -35.8201 5.4288 -7.42338 6.51473 54.4252 16.4588 -4.31852 13.6766 27.0595 TIMING: 163200 CPU: 471.882, 0.00286526/step Wall: 471.882, 0.00286526/step, 3.84963 hours remaining, 206.675781 MB of memory in use. ENERGY: 163200 732.7869 2128.7482 1940.3242 115.2321 -206227.2209 17857.7842 0.0000 0.0000 34253.3475 -149198.9979 299.1430 -183452.3453 -149094.2700 299.6026 33.5159 69.4237 555404.1784 15.1995 15.2215 PRESSURE: 163400 197.47 60.3727 -105.97 60.3728 143.561 138.261 -105.97 138.261 -91.8909 GPRESSURE: 163400 262.504 65.3587 -90.183 34.0883 101.742 193.838 -133.597 122.447 -10.607 PRESSAVG: 163400 -42.581 -10.8394 -7.3477 -10.8394 40.3883 1.17414 -7.34777 1.1741 33.3587 GPRESSAVG: 163400 -42.735 -11.2837 -4.28345 -12.1338 39.4857 0.264344 -7.28909 1.63045 34.1836 TIMING: 163400 CPU: 472.463, 0.0029041/step Wall: 472.463, 0.0029041/step, 3.90166 hours remaining, 206.878906 MB of memory in use. ENERGY: 163400 733.4394 2103.5586 1951.1509 116.7824 -206240.9417 17856.1685 0.0000 0.0000 34292.0866 -149187.7553 299.4813 -183479.8419 -149093.9900 299.4365 83.0468 117.8796 556513.1141 10.3886 10.3115 PRESSURE: 163600 81.6345 -34.5774 -19.1296 -34.5779 -14.2113 -81.29 -19.1299 -81.2889 -331.45 GPRESSURE: 163600 101.508 -6.99614 -43.1102 -59.7678 -33.2144 -60.314 -19.1534 -52.0142 -250.954 PRESSAVG: 163600 -41.6529 -21.1917 -18.9727 -21.1916 13.5624 17.946 -18.9726 17.946 14.8478 GPRESSAVG: 163600 -41.4128 -21.2591 -20.2511 -19.8305 14.2395 17.4766 -18.6288 17.6023 13.4661 TIMING: 163600 CPU: 473.041, 0.00288778/step Wall: 473.041, 0.00288778/step, 3.87957 hours remaining, 206.878906 MB of memory in use. ENERGY: 163600 747.7360 2127.2615 1913.4874 116.1645 -206118.3584 17702.9448 0.0000 0.0000 34284.7815 -149225.9829 299.4175 -183510.7643 -149134.1286 299.8050 -88.0090 -60.8867 556828.6803 -4.4142 -4.5691 PRESSURE: 163800 -22.7038 17.1135 -34.2764 17.1137 -430.601 66.3351 -34.2765 66.3349 -256.544 GPRESSURE: 163800 33.8353 10.0459 -88.6888 79.8212 -416.486 94.9646 -1.48328 42.8275 -243.293 PRESSAVG: 163800 63.7411 -28.7405 23.6386 -28.7405 13.4949 7.0201 23.6386 7.02016 -75.2911 GPRESSAVG: 163800 64.9244 -30.9433 22.4134 -29.0358 12.1472 7.26776 24.4332 8.16586 -75.552 TIMING: 163800 CPU: 473.619, 0.00289253/step Wall: 473.619, 0.00289253/step, 3.8858 hours remaining, 206.878906 MB of memory in use. ENERGY: 163800 775.9693 2060.4751 1921.2469 113.9889 -205985.5074 17614.0266 0.0000 0.0000 34303.4540 -149196.3466 299.5806 -183499.8005 -149100.4205 299.0481 -236.6165 -208.6481 557780.0246 0.6483 0.5065 PRESSURE: 164000 -75.4788 48.1396 -138.264 48.1391 220.684 136.489 -138.264 136.489 -42.9159 GPRESSURE: 164000 -4.88464 133.788 -166.505 9.19495 281.034 122.408 -114.109 166.469 -84.6093 PRESSAVG: 164000 -15.7538 -8.46943 -7.03727 -8.4694 36.3668 -9.78799 -7.03716 -9.78798 -40.3833 GPRESSAVG: 164000 -16.2312 -5.84313 -4.91774 -7.50031 36.4621 -9.00189 -8.19507 -10.9221 -40.3673 TIMING: 164000 CPU: 474.197, 0.00288812/step Wall: 474.197, 0.00288812/step, 3.87971 hours remaining, 206.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 164000 734.1269 2107.0830 1941.1671 117.9464 -206242.3072 17734.7865 0.0000 0.0000 34351.2723 -149255.9249 299.9982 -183607.1972 -149157.4278 298.9753 34.0964 63.8467 556488.3020 -6.5901 -6.7121 PRESSURE: 164200 -17.0795 -103.608 98.7628 -103.608 -282.547 140.598 98.7609 140.599 253.189 GPRESSURE: 164200 12.2143 -79.3383 160.317 -162.511 -269.277 110.073 80.1377 178.429 298.414 PRESSAVG: 164200 -51.9957 -39.6643 7.19393 -39.6643 19.3329 26.9482 7.19388 26.9482 27.4072 GPRESSAVG: 164200 -52.9208 -40.3968 5.87222 -39.5359 20.7045 23.7785 7.28565 29.5281 26.8485 TIMING: 164200 CPU: 474.779, 0.00291067/step Wall: 474.779, 0.00291067/step, 3.90984 hours remaining, 206.878906 MB of memory in use. ENERGY: 164200 778.0505 2086.1112 1926.7530 101.2508 -206104.5824 17636.2397 0.0000 0.0000 34300.9985 -149275.1788 299.5592 -183576.1773 -149173.7771 299.6564 -15.4789 13.7838 556532.7949 -1.7518 -1.7893 LDB: ============= START OF LOAD BALANCING ============== 478.167 LDB: ============== END OF LOAD BALANCING =============== 478.167 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 478.169 LDB: ============= START OF LOAD BALANCING ============== 478.458 LDB: Largest compute 4801 load 0.022845 is 19.4% of average load 0.117910 LDB: Average compute 0.001710 is 1.5% of average load 0.117910 LDB: TIME 478.461 LOAD: AVG 0.11791 MAX 0.17969 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.223 MB LDB: TIME 478.461 LOAD: AVG 0.11791 MAX 0.17969 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.223 MB LDB: TIME 478.461 LOAD: AVG 0.11791 MAX 0.17969 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.223 MB LDB: ============== END OF LOAD BALANCING =============== 478.463 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 478.467 PRESSURE: 164400 -63.1082 78.9925 -141.838 78.9915 120.381 -82.2107 -141.838 -82.21 -63.5032 GPRESSURE: 164400 -44.5266 -41.2692 -30.5773 152.601 147.944 -116.827 -160.31 -120.648 -5.83045 PRESSAVG: 164400 -71.9646 3.73342 30.9207 3.73345 27.9524 20.0638 30.9207 20.0638 48.707 GPRESSAVG: 164400 -71.7161 4.16908 31.6225 1.93939 27.5517 21.5353 29.4863 18.7352 49.3832 TIMING: 164400 CPU: 475.371, 0.00296096/step Wall: 475.371, 0.00296096/step, 3.97722 hours remaining, 205.964844 MB of memory in use. ENERGY: 164400 757.7973 2086.5051 1950.8865 102.5570 -206223.5744 17833.4606 0.0000 0.0000 34212.4394 -149279.9286 298.7857 -183492.3679 -149182.8228 298.8324 -2.0769 32.5290 557448.3114 1.5649 1.7396 PRESSURE: 164600 -407.82 98.1755 -139.812 98.1762 136.398 -18.7895 -139.813 -18.7897 -129.786 GPRESSURE: 164600 -332.385 30.6575 -100.702 152.409 132.855 23.8031 -119.604 -38.5856 -123.26 PRESSAVG: 164600 -36.4406 12.5214 -1.30855 12.5213 53.8662 24.0718 -1.30849 24.0718 -13.727 GPRESSAVG: 164600 -35.2946 10.4067 -2.37123 14.6196 53.1269 26.0816 0.815479 23.7049 -14.2063 TIMING: 164600 CPU: 475.948, 0.00288574/step Wall: 475.948, 0.00288574/step, 3.87603 hours remaining, 205.964844 MB of memory in use. ENERGY: 164600 763.1606 2150.7425 1914.2086 106.6392 -205973.0193 17729.6146 0.0000 0.0000 34155.1472 -149153.5066 298.2854 -183308.6538 -149058.4929 299.5302 -133.7359 -107.5967 558443.2134 1.2329 1.2087 PRESSURE: 164800 -0.35968 -60.4612 -5.19663 -60.4601 -17.8126 114.777 -5.19574 114.778 64.002 GPRESSURE: 164800 73.1451 -14.2435 52.3884 -94.436 8.57991 107.793 -35.5409 14.9091 65.5754 PRESSAVG: 164800 55.969 -36.6886 39.1253 -36.6887 -9.02529 36.5281 39.1254 36.5282 -7.65349 GPRESSAVG: 164800 53.3817 -34.3777 39.1415 -39.0645 -7.76664 36.8946 37.2284 37.1807 -6.43975 TIMING: 164800 CPU: 476.526, 0.00288675/step Wall: 476.526, 0.00288675/step, 3.87723 hours remaining, 205.964844 MB of memory in use. ENERGY: 164800 769.5053 2212.1625 1933.6301 112.0761 -206225.7434 17781.5397 0.0000 0.0000 34121.9176 -149294.9120 297.9952 -183416.8296 -149200.6611 299.5997 15.2766 49.1001 556476.0268 13.0967 13.0584 PRESSURE: 165000 36.641 162.04 44.9035 162.039 -434.774 199.279 44.9036 199.279 -91.6808 GPRESSURE: 165000 -0.634934 156.746 27.5921 121.107 -380.094 215.522 70.1344 247.178 -18.3087 PRESSAVG: 165000 -18.6483 -4.04646 1.33517 -4.04649 -40.9139 36.6392 1.33513 36.6392 30.1305 GPRESSAVG: 165000 -17.842 -6.81924 1.60376 -4.43329 -41.7822 36.4541 3.32495 36.4214 30.0427 TIMING: 165000 CPU: 477.103, 0.00288822/step Wall: 477.103, 0.00288821/step, 3.87903 hours remaining, 205.964844 MB of memory in use. ENERGY: 165000 760.8559 2131.8131 1922.7954 113.8046 -206109.8438 17663.3815 0.0000 0.0000 34216.6489 -149300.5445 298.8225 -183517.1934 -149201.8641 298.9731 -163.2712 -133.0126 555987.5147 -9.8106 -9.8605 PRESSURE: 165200 -139.089 -8.73488 -169.402 -8.73508 -144.709 -81.5791 -169.402 -81.5809 -124.46 GPRESSURE: 165200 -96.8876 -31.4409 -124.271 104.717 -151.285 -61.8182 -157.441 -70.572 -49.0444 PRESSAVG: 165200 -3.32499 27.8161 -8.18126 27.8161 5.24868 -31.4143 -8.18126 -31.4143 15.1818 GPRESSAVG: 165200 -2.04944 29.4118 -8.08747 29.2426 5.62164 -32.7202 -8.21138 -32.5519 13.9037 TIMING: 165200 CPU: 477.68, 0.00288484/step Wall: 477.68, 0.00288484/step, 3.87434 hours remaining, 205.964844 MB of memory in use. ENERGY: 165200 740.5945 2082.9803 1941.5801 107.2586 -205828.5091 17530.0281 0.0000 0.0000 34190.9228 -149235.1446 298.5978 -183426.0674 -149127.3770 299.1947 -136.0859 -99.0723 557244.6145 5.7018 5.8253 PRESSURE: 165400 -117.788 -151.091 135.418 -151.091 29.6021 9.25979 135.419 9.25911 -66.4397 GPRESSURE: 165400 -57.5307 -128.818 99.5957 -84.3413 53.0112 -37.5805 99.2775 -0.90706 -56.8523 PRESSAVG: 165400 -23.9261 -31.4576 37.1913 -31.4577 27.6377 21.152 37.1914 21.152 -10.8591 GPRESSAVG: 165400 -25.424 -28.875 36.5721 -31.453 27.8369 22.3827 35.9097 22.4861 -9.11647 TIMING: 165400 CPU: 478.254, 0.00286943/step Wall: 478.254, 0.00286943/step, 3.85348 hours remaining, 205.964844 MB of memory in use. ENERGY: 165400 753.9287 2053.2283 1933.6768 112.3324 -206179.7250 17754.4811 0.0000 0.0000 34257.6189 -149314.4589 299.1803 -183572.0778 -149211.7188 299.1646 -51.5419 -20.4573 556994.9767 -2.3825 -2.2345 PRESSURE: 165600 152.041 -185.115 -25.3736 -185.114 158.453 94.6257 -25.3735 94.6247 16.3008 GPRESSURE: 165600 187.169 -191.621 -25.3576 -91.535 171.058 94.0628 -76.0854 113.749 68.0631 PRESSAVG: 165600 -68.8913 19.5199 63.9292 19.5199 16.3144 25.8511 63.9291 25.851 62.9091 GPRESSAVG: 165600 -68.6933 17.3599 65.3541 20.3253 16.7905 25.0673 64.3772 24.2033 63.25 TIMING: 165600 CPU: 478.833, 0.00289308/step Wall: 478.833, 0.00289308/step, 3.88508 hours remaining, 205.964844 MB of memory in use. ENERGY: 165600 753.3361 2054.5111 1937.6165 112.2873 -206008.4489 17874.4237 0.0000 0.0000 34311.2981 -148964.9760 299.6491 -183276.2742 -148871.8773 298.9560 108.9318 142.0968 557628.7532 3.4441 3.7824 PRESSURE: 165800 105.34 -17.4176 25.7597 -17.4169 186.345 51.1136 25.7596 51.1141 -100.835 GPRESSURE: 165800 117.216 -8.81054 7.6494 2.7231 170.107 61.5801 -52.4501 -31.3682 2.79926 PRESSAVG: 165800 6.85043 -30.0455 -20.1277 -30.0455 -36.1547 -4.73978 -20.1277 -4.73994 42.533 GPRESSAVG: 165800 6.71012 -30.2917 -22.3817 -31.3016 -36.607 -4.70498 -20.2107 -3.90784 42.7868 TIMING: 165800 CPU: 479.411, 0.00289101/step Wall: 479.411, 0.00289101/step, 3.88215 hours remaining, 205.964844 MB of memory in use. ENERGY: 165800 778.8019 2070.9225 1950.8855 122.1880 -206210.6445 17885.4674 0.0000 0.0000 34468.7628 -148933.6164 301.0243 -183402.3792 -148836.2441 299.6865 63.6167 96.7075 556893.9759 4.4096 4.2966 PRESSURE: 166000 73.181 138.753 205.053 138.753 141.846 19.688 205.052 19.6869 144.859 GPRESSURE: 166000 82.8931 133.178 155.921 106.334 157.293 -4.22042 198.507 75.4115 208.222 PRESSAVG: 166000 -40.3459 19.8934 20.5168 19.8933 -61.3742 -14.1846 20.5168 -14.1846 43.2293 GPRESSAVG: 166000 -40.9734 18.384 22.0268 23.0089 -61.1551 -15.1274 21.987 -14.1336 43.2425 TIMING: 166000 CPU: 479.987, 0.00288028/step Wall: 479.987, 0.00288028/step, 3.86757 hours remaining, 205.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 166000 716.2102 2110.8752 1975.3665 108.7892 -206119.2570 18007.4372 0.0000 0.0000 34356.6136 -148843.9650 300.0449 -183200.5786 -148751.3115 299.9381 119.9621 149.4693 558656.3292 -19.4969 -19.6287 PRESSURE: 166200 65.8328 -24.8748 -115.806 -24.8744 86.459 25.6655 -115.805 25.6643 -13.8216 GPRESSURE: 166200 109.938 -4.9849 -133.083 -102.233 130.236 -39.6674 -39.8257 100.075 -6.9328 PRESSAVG: 166200 -26.6537 -14.0665 -1.17666 -14.0665 15.7369 -0.29261 -1.17663 -0.292653 -2.82426 GPRESSAVG: 166200 -25.4982 -13.6737 1.1309 -16.7052 16.2424 0.891822 -2.95919 -2.62153 -4.2882 TIMING: 166200 CPU: 480.563, 0.00287936/step Wall: 480.563, 0.00287936/step, 3.86618 hours remaining, 205.964844 MB of memory in use. ENERGY: 166200 751.1651 2100.1879 1943.7541 111.1374 -206246.6373 17977.1113 0.0000 0.0000 34320.9429 -149042.3386 299.7333 -183363.2814 -148950.6975 299.5647 46.1567 77.7472 557864.8567 -4.5803 -4.5147 PRESSURE: 166400 272.695 33.7159 130.584 33.716 -149.159 102.335 130.583 102.336 57.9501 GPRESSURE: 166400 281.054 -22.8073 146.551 74.7961 -173.247 134.344 120.513 67.3685 148.62 PRESSAVG: 166400 19.1953 8.84988 6.63352 8.8499 -32.0644 -18.3962 6.6335 -18.3962 17.9345 GPRESSAVG: 166400 18.1403 10.3851 4.08445 9.63669 -31.7437 -19.2258 9.14062 -16.1967 18.8392 TIMING: 166400 CPU: 481.14, 0.00288704/step Wall: 481.14, 0.00288704/step, 3.87634 hours remaining, 206.074219 MB of memory in use. ENERGY: 166400 728.0381 2126.3638 1962.0059 117.1562 -205990.4484 17775.6397 0.0000 0.0000 34258.9515 -149022.2932 299.1919 -183281.2447 -148925.8180 299.4880 60.4954 85.4758 557440.5770 1.6884 1.7453 PRESSURE: 166600 -52.0034 -60.1311 46.3287 -60.13 -60.8159 18.8815 46.3276 18.883 -89.2736 GPRESSURE: 166600 -15.0131 -37.9759 43.8649 -63.4738 -36.1827 22.9404 40.7147 13.9787 -44.9164 PRESSAVG: 166600 -33.2409 8.82413 11.2778 8.82411 46.8008 54.0012 11.2778 54.0013 3.68498 GPRESSAVG: 166600 -31.9195 8.19693 13.3204 8.2867 45.4238 54.4605 8.48692 53.2925 3.49922 TIMING: 166600 CPU: 481.716, 0.00287878/step Wall: 481.716, 0.00287878/step, 3.86508 hours remaining, 206.074219 MB of memory in use. ENERGY: 166600 727.8282 2081.6803 1947.4797 114.2518 -205777.8274 17674.5662 0.0000 0.0000 34251.7808 -148980.2405 299.1293 -183232.0213 -148887.4437 299.7074 -67.3643 -32.0374 557279.3152 5.7483 5.6678 PRESSURE: 166800 -46.9321 41.4226 -53.2783 41.4224 15.2861 -31.9484 -53.2787 -31.9476 53.0818 GPRESSURE: 166800 -16.6593 18.5174 -55.8415 100.721 70.35 -23.3824 -58.7228 23.1326 58.7228 PRESSAVG: 166800 -49.6512 20.0794 -39.9422 20.0794 16.851 -52.3823 -39.9421 -52.3822 20.1612 GPRESSAVG: 166800 -50.5521 20.6751 -42.6625 20.3176 17.1074 -52.2328 -38.3874 -51.706 20.6317 TIMING: 166800 CPU: 482.297, 0.00290234/step Wall: 482.297, 0.00290234/step, 3.89655 hours remaining, 206.074219 MB of memory in use. ENERGY: 166800 771.9181 2058.9415 1952.4376 118.4235 -205682.3136 17719.6534 0.0000 0.0000 34165.5952 -148895.3442 298.3766 -183060.9394 -148795.2969 299.2235 7.1453 37.4712 557851.8483 -4.2130 -4.2710 PRESSURE: 167000 -309.79 -101.526 77.4688 -101.526 -198.942 -168.743 77.4686 -168.744 -125.488 GPRESSURE: 167000 -265.494 -142.805 92.7644 -136.516 -190.902 -198.615 122.123 -40.6696 -89.9198 PRESSAVG: 167000 -22.1601 -20.5574 29.3779 -20.5573 -7.36535 -42.6814 29.3778 -42.6813 -20.556 GPRESSAVG: 167000 -22.4848 -22.8907 30.9328 -20.1215 -6.6379 -40.8962 28.3441 -41.9602 -21.3518 TIMING: 167000 CPU: 482.878, 0.00290426/step Wall: 482.878, 0.00290426/step, 3.89897 hours remaining, 206.074219 MB of memory in use. ENERGY: 167000 733.4113 2112.0065 1954.5448 102.0718 -205468.9767 17294.2165 0.0000 0.0000 34283.7346 -148988.9912 299.4084 -183272.7258 -148896.1951 299.4604 -211.4066 -182.1052 557924.7500 -16.6938 -16.8248 PRESSURE: 167200 -10.125 -167.608 57.9506 -167.609 11.1921 20.4723 57.9515 20.4717 -256.17 GPRESSURE: 167200 49.0251 -144.191 -17.1287 -87.5339 -23.9566 53.0134 139.342 40.446 -180.302 PRESSAVG: 167200 28.9884 -2.57026 10.2313 -2.57024 58.4386 -28.9171 10.2313 -28.9169 -33.7511 GPRESSAVG: 167200 28.9967 -0.0533743 8.71556 -4.06872 58.499 -30.4347 9.93649 -29.4838 -33.8332 TIMING: 167200 CPU: 483.459, 0.00290877/step Wall: 483.459, 0.00290877/step, 3.90486 hours remaining, 206.074219 MB of memory in use. ENERGY: 167200 727.4625 2104.6007 1949.2229 110.0623 -205749.4924 17601.8494 0.0000 0.0000 34321.5241 -148934.7703 299.7384 -183256.2945 -148842.5269 299.9870 -85.0344 -51.7444 557509.7470 17.8920 17.8875 PRESSURE: 167400 99.2307 32.9038 5.97057 32.903 57.3384 73.836 5.97 73.8356 29.3022 GPRESSURE: 167400 90.6954 6.77889 -17.511 -15.6807 73.9576 72.5501 84.8125 54.6957 119.395 PRESSAVG: 167400 67.0325 -12.115 -37.1467 -12.115 -42.2243 -12.9768 -37.1468 -12.9768 -29.8749 GPRESSAVG: 167400 66.9786 -13.8288 -38.6673 -11.4583 -42.1443 -14.6569 -36.1827 -11.2615 -29.8276 TIMING: 167400 CPU: 484.037, 0.00288989/step Wall: 484.037, 0.00288989/step, 3.87936 hours remaining, 206.074219 MB of memory in use. ENERGY: 167400 740.1620 2074.6826 1920.1995 106.4985 -205932.1162 17767.9739 0.0000 0.0000 34254.5420 -149068.0576 299.1534 -183322.5996 -148962.1195 299.7435 61.9571 94.6828 557832.0295 -1.6889 -1.6645 PRESSURE: 167600 -60.3974 35.4125 -143.925 35.4117 66.2146 37.8913 -143.924 37.8913 -228.421 GPRESSURE: 167600 -58.6965 -34.7073 -113.739 50.534 159.774 -13.677 -147.292 31.2535 -218.965 PRESSAVG: 167600 27.6602 47.1875 -9.30298 47.1875 -15.7941 26.3668 -9.30301 26.3669 -7.9398 GPRESSAVG: 167600 27.8526 47.4157 -7.80668 46.2921 -15.1623 27.2562 -9.91448 25.272 -8.68509 TIMING: 167600 CPU: 484.614, 0.00288213/step Wall: 484.614, 0.00288213/step, 3.86878 hours remaining, 206.074219 MB of memory in use. ENERGY: 167600 710.3661 2074.9628 1933.1557 107.3188 -205789.4075 17555.3716 0.0000 0.0000 34501.2931 -148906.9394 301.3084 -183408.2325 -148803.3007 300.2982 -74.2012 -39.2959 557712.6237 1.3088 1.3351 PRESSURE: 167800 -77.853 195.92 -37.553 195.921 -187.169 3.1594 -37.554 3.15914 297.706 GPRESSURE: 167800 -74.5519 165.628 -150.041 164.536 -85.6306 -58.6563 28.2039 68.1232 293.468 PRESSAVG: 167800 24.0573 40.4641 30.0201 40.4639 20.7847 27.6977 30.0201 27.6978 -54.0229 GPRESSAVG: 167800 23.8809 42.7031 29.7361 39.5795 20.2285 27.7675 29.2922 27.4202 -53.6655 TIMING: 167800 CPU: 485.19, 0.0028839/step Wall: 485.19, 0.0028839/step, 3.87099 hours remaining, 206.074219 MB of memory in use. ENERGY: 167800 753.6149 2061.4199 1914.8758 108.6103 -205939.4075 17833.4018 0.0000 0.0000 34494.2226 -148773.2620 301.2466 -183267.4847 -148675.3518 300.2085 10.8948 44.4287 557838.5963 -3.0603 -3.1854 PRESSURE: 168000 -111.378 -230.655 82.1821 -230.656 -357.246 -102.312 82.1817 -102.311 -167.921 GPRESSURE: 168000 -102.312 -264.35 63.913 -169.732 -257.886 -125.251 99.1973 -107.161 -168.31 PRESSAVG: 168000 18.7024 -0.106963 -8.54656 -0.106939 -36.9246 12.1307 -8.5466 12.1307 4.81723 GPRESSAVG: 168000 18.7232 -1.79431 -6.21582 1.83899 -36.7867 13.7093 -7.71906 10.6941 4.55758 TIMING: 168000 CPU: 485.769, 0.0028923/step Wall: 485.769, 0.0028923/step, 3.88211 hours remaining, 206.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 168000 756.4165 2126.1483 1927.6520 104.7402 -205521.6168 17536.7714 0.0000 0.0000 34155.1962 -148914.6922 298.2858 -183069.8883 -148822.7553 300.4915 -212.1817 -176.1689 559297.5183 -4.4683 -4.5020 PRESSURE: 168200 54.3567 -15.724 -0.366564 -15.7242 129.252 -97.2076 -0.365776 -97.2091 225.717 GPRESSURE: 168200 87.1042 -39.4155 82.8939 -18.0914 141.593 -136.469 -59.0443 -71.0333 272.307 PRESSAVG: 168200 6.06536 -49.5917 -24.309 -49.5918 4.56703 -86.7376 -24.309 -86.7377 18.0463 GPRESSAVG: 168200 5.50468 -50.1097 -27.5073 -52.63 4.42182 -90.0531 -25.7167 -86.1302 18.3833 TIMING: 168200 CPU: 486.348, 0.00289596/step Wall: 486.348, 0.00289596/step, 3.88686 hours remaining, 206.074219 MB of memory in use. ENERGY: 168200 740.1793 2139.3037 1941.4452 114.8437 -206166.8239 18014.5160 0.0000 0.0000 34211.0764 -149005.4596 298.7738 -183216.5360 -148911.2419 300.6595 136.4417 167.0012 559438.7128 9.5596 9.4366 LDB: ============= START OF LOAD BALANCING ============== 489.733 LDB: ============== END OF LOAD BALANCING =============== 489.733 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 489.735 LDB: ============= START OF LOAD BALANCING ============== 490.024 LDB: Largest compute 4822 load 0.023546 is 20.0% of average load 0.117947 LDB: Average compute 0.001704 is 1.4% of average load 0.117947 LDB: TIME 490.027 LOAD: AVG 0.117947 MAX 0.179358 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 490.027 LOAD: AVG 0.117947 MAX 0.179358 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.125 MB LDB: TIME 490.027 LOAD: AVG 0.117947 MAX 0.179358 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 490.029 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 490.033 PRESSURE: 168400 -155.334 20.0716 -20.7013 20.0722 -101.507 49.5605 -20.7015 49.5587 64.3305 GPRESSURE: 168400 -87.6517 129.863 -46.9059 -34.0602 -35.3732 81.894 39.8505 65.486 26.2857 PRESSAVG: 168400 19.7491 -29.2057 -3.99591 -29.2057 5.11742 -1.50025 -3.99596 -1.50036 -22.1708 GPRESSAVG: 168400 19.6969 -29.1183 -2.3058 -26.1985 6.54999 0.324891 -1.63581 -0.745111 -22.7777 TIMING: 168400 CPU: 486.938, 0.00294783/step Wall: 486.938, 0.00294783/step, 3.95631 hours remaining, 205.445312 MB of memory in use. ENERGY: 168400 757.9975 2123.5694 1936.8422 118.9906 -206404.9980 17811.9949 0.0000 0.0000 34418.5751 -149237.0282 300.5860 -183655.6033 -149141.8157 299.2840 -64.1702 -32.2464 558102.5521 0.8986 1.1564 PRESSURE: 168600 37.7167 -29.2136 -77.3694 -29.2145 -247.103 104.535 -77.3699 104.535 30.5634 GPRESSURE: 168600 101.522 -25.927 -60.2921 -17.4639 -239.942 39.9276 11.4366 98.7589 50.3372 PRESSAVG: 168600 4.62286 64.479 2.34868 64.4791 2.00307 8.97419 2.34864 8.9742 1.25574 GPRESSAVG: 168600 4.92707 65.2569 2.41715 64.7008 -0.159367 10.7557 1.27708 8.1894 2.61638 TIMING: 168600 CPU: 487.515, 0.00288501/step Wall: 487.515, 0.00288501/step, 3.87184 hours remaining, 205.703125 MB of memory in use. ENERGY: 168600 758.5811 2086.5263 1938.0641 110.9839 -206086.3247 17669.9361 0.0000 0.0000 34222.7919 -149299.4415 298.8762 -183522.2333 -149202.7884 299.3156 -59.6075 -29.3607 557726.4377 2.6272 2.4614 PRESSURE: 168800 -180.236 5.83521 10.5353 5.83576 -214.278 -57.1532 10.5358 -57.152 -109.155 GPRESSURE: 168800 -96.7099 8.93712 -18.1073 -11.5209 -209.573 36.7523 -15.3997 -147.171 -103.021 PRESSAVG: 168800 42.7197 10.9453 -24.5576 10.9453 -73.705 -17.0778 -24.5576 -17.0778 31.9078 GPRESSAVG: 168800 43.4115 10.1835 -25.9878 8.75275 -73.3052 -19.4293 -23.8556 -17.045 30.3284 TIMING: 168800 CPU: 488.09, 0.00287829/step Wall: 488.09, 0.00287829/step, 3.86266 hours remaining, 205.703125 MB of memory in use. ENERGY: 168800 790.3606 2097.8813 1918.0848 113.0354 -205924.2981 17550.6130 0.0000 0.0000 34189.2251 -149265.0979 298.5830 -183454.3230 -149164.4014 299.9300 -167.8898 -136.4345 557893.8448 0.3075 0.1449 PRESSURE: 169000 -83.6648 -73.3133 58.3232 -73.3137 -71.4893 -16.8265 58.3233 -16.8263 -37.1385 GPRESSURE: 169000 -76.5617 -22.8061 119.62 -146.961 -12.5432 41.3975 -13.3965 12.3009 -4.70642 PRESSAVG: 169000 30.1282 -37.7039 6.9648 -37.7039 -30.8781 26.8064 6.96473 26.8064 32.1217 GPRESSAVG: 169000 29.3243 -37.5778 8.21468 -36.8043 -30.4596 27.0073 2.45471 27.3602 32.5422 TIMING: 169000 CPU: 488.668, 0.0028872/step Wall: 488.668, 0.0028872/step, 3.87446 hours remaining, 205.703125 MB of memory in use. ENERGY: 169000 745.5190 2117.7254 1933.5279 97.9524 -206190.6224 17653.4434 0.0000 0.0000 34174.0198 -149468.4345 298.4502 -183642.4544 -149364.5794 298.7789 -64.0975 -31.2704 557427.6076 10.4573 10.4690 PRESSURE: 169200 93.0736 86.362 279.955 86.3628 30.4757 7.2024 279.955 7.20295 -140.719 GPRESSURE: 169200 141.844 33.3987 265.531 102.53 28.0595 40.0362 206.053 -36.8542 -109.297 PRESSAVG: 169200 8.3113 26.7133 9.36663 26.7133 29.8988 10.1535 9.36658 10.1535 -2.49721 GPRESSAVG: 169200 7.71545 25.0569 8.42506 27.8278 30.9828 10.6395 13.3 10.6277 -3.11387 TIMING: 169200 CPU: 489.246, 0.00288933/step Wall: 489.246, 0.00288933/step, 3.87715 hours remaining, 205.703125 MB of memory in use. ENERGY: 169200 770.4271 2110.4502 1957.0053 110.5491 -206451.4334 17890.8593 0.0000 0.0000 34247.0168 -149365.1255 299.0877 -183612.1423 -149270.0855 298.6861 -5.7234 20.2020 556909.0936 11.9043 11.8614 PRESSURE: 169400 -261.542 24.5056 -28.825 24.5066 -435.144 74.8867 -28.8239 74.8862 -329.391 GPRESSURE: 169400 -272.87 75.2602 -25.1819 87.8029 -371.022 93.1836 -89.9077 55.0862 -287.977 PRESSAVG: 169400 35.2141 30.2643 -10.2372 30.2642 -24.7389 -37.0704 -10.2372 -37.0704 -6.7066 GPRESSAVG: 169400 34.2435 32.1522 -11.5037 29.4681 -24.671 -36.9152 -11.0848 -37.8086 -5.58656 TIMING: 169400 CPU: 489.826, 0.0029014/step Wall: 489.826, 0.0029014/step, 3.8932 hours remaining, 205.703125 MB of memory in use. ENERGY: 169400 777.7378 2072.0864 1963.4622 105.2809 -205417.6553 17228.0413 0.0000 0.0000 33991.9991 -149279.0476 296.8606 -183271.0468 -149190.1862 299.9350 -342.0259 -310.6229 557998.7446 1.2562 1.3286 PRESSURE: 169600 5.49779 4.38441 56.997 4.38374 -83.3945 5.39891 56.9962 5.39798 74.1323 GPRESSURE: 169600 21.5908 -96.5206 -79.1396 -6.08977 -75.6016 3.63631 86.1754 1.23413 144.17 PRESSAVG: 169600 -29.9058 50.513 25.0569 50.513 -3.5632 22.8627 25.057 22.8627 25.4696 GPRESSAVG: 169600 -27.9035 49.2704 26.6966 52.1196 -4.94049 23.1482 24.0834 22.0986 25.1259 TIMING: 169600 CPU: 490.404, 0.00289153/step Wall: 490.404, 0.00289153/step, 3.87979 hours remaining, 205.703125 MB of memory in use. ENERGY: 169600 765.7793 2049.2097 1981.9550 116.9249 -206304.7305 17709.9745 0.0000 0.0000 34387.6814 -149293.2056 300.3162 -183680.8870 -149198.7229 299.6786 -1.2548 30.0530 556250.2569 -2.6665 -2.5727 PRESSURE: 169800 125.113 167.544 -215.571 167.545 22.2077 -55.4268 -215.571 -55.4275 -45.081 GPRESSURE: 169800 161.706 195.943 -254.786 145.999 35.5055 -8.85232 -84.1672 -94.4418 -4.00168 PRESSAVG: 169800 -12.1304 6.01609 -5.55796 6.01596 -16.2822 -15.8166 -5.55799 -15.8165 46.8874 GPRESSAVG: 169800 -11.9372 6.5519 -5.53884 4.12977 -16.5831 -17.5285 -4.87153 -13.7487 46.9099 TIMING: 169800 CPU: 490.984, 0.0028984/step Wall: 490.984, 0.0028984/step, 3.88885 hours remaining, 205.703125 MB of memory in use. ENERGY: 169800 719.2888 2109.2251 1943.5316 110.0593 -206405.5291 17945.6060 0.0000 0.0000 34152.6062 -149425.2120 298.2632 -183577.8182 -149331.4292 299.4423 34.0800 64.4034 556779.4481 6.1583 6.1298 PRESSURE: 170000 32.6516 -0.110118 196.874 -0.110239 -74.6169 -106.44 196.874 -106.44 49.7332 GPRESSURE: 170000 88.7007 -49.3084 240.529 21.9135 -67.5148 -121.661 163.881 -84.5451 94.7801 PRESSAVG: 170000 28.9719 0.789918 -0.445595 0.789889 -55.6339 -61.9187 -0.445482 -61.9187 38.4719 GPRESSAVG: 170000 27.5385 0.834198 -1.47508 0.718703 -54.5017 -61.4677 2.06088 -62.3331 38.6079 TIMING: 170000 CPU: 491.561, 0.002887/step Wall: 491.561, 0.002887/step, 3.8734 hours remaining, 205.703125 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: 170000 731.3828 2089.1395 1966.1939 116.8670 -206047.1989 17659.0427 0.0000 0.0000 34059.6359 -149424.9371 297.4513 -183484.5731 -149330.3204 298.9692 2.5893 38.6553 556244.6867 3.9366 3.8816 PRESSURE: 170200 -145.901 42.0796 20.163 42.0791 -78.8488 176.519 20.1617 176.519 319.968 GPRESSURE: 170200 -159.845 -64.4197 67.7075 119.166 0.660949 168.257 -19.2854 156.126 341.895 PRESSAVG: 170200 4.06019 -16.2448 24.8255 -16.2447 -35.7329 4.91107 24.8256 4.91112 26.9228 GPRESSAVG: 170200 4.40634 -17.1846 26.3428 -14.874 -35.8459 6.67811 22.2594 3.63291 27.0802 TIMING: 170200 CPU: 492.142, 0.00290145/step Wall: 492.142, 0.00290145/step, 3.89262 hours remaining, 205.773438 MB of memory in use. ENERGY: 170200 761.3369 2074.4266 1943.1758 112.5678 -206391.1098 17884.5481 0.0000 0.0000 34093.3965 -149521.6581 297.7461 -183615.0546 -149426.6003 297.9970 31.7394 60.9036 556906.4732 -1.5833 -1.4531 PRESSURE: 170400 121.374 -112.514 -120.933 -112.513 -101.015 263.502 -120.934 263.502 49.6032 GPRESSURE: 170400 186.692 -43.5464 -122.192 -259.423 -74.3104 362.748 -109.252 150.438 52.3719 PRESSAVG: 170400 -3.25825 15.3524 -17.6217 15.3524 13.1399 50.5959 -17.6216 50.5959 -25.4078 GPRESSAVG: 170400 -3.58345 15.841 -15.9017 15.248 13.2333 49.6514 -17.8866 49.7172 -24.8016 TIMING: 170400 CPU: 492.724, 0.0029114/step Wall: 492.724, 0.0029114/step, 3.9058 hours remaining, 205.773438 MB of memory in use. ENERGY: 170400 763.2125 2046.2229 1934.4819 112.5903 -206366.8834 17889.3807 0.0000 0.0000 34064.5498 -149556.4454 297.4942 -183620.9951 -149451.7859 298.2020 23.3207 54.9178 555916.5945 -5.1754 -5.0506 PRESSURE: 170600 -20.8693 -24.1858 -27.445 -24.1844 -25.4228 1.83662 -27.4444 1.83731 -165.01 GPRESSURE: 170600 -6.27903 11.5256 -75.2187 51.9056 14.7236 -45.8826 -13.4093 -55.212 -120.199 PRESSAVG: 170600 -47.0281 22.7382 18.3808 22.7382 -15.8516 -38.1157 18.3808 -38.1157 72.9956 GPRESSAVG: 170600 -47.3188 23.6125 17.1348 23.1984 -15.0418 -38.9406 17.5846 -37.4787 72.7644 TIMING: 170600 CPU: 493.302, 0.0028915/step Wall: 493.302, 0.0028915/step, 3.87894 hours remaining, 205.773438 MB of memory in use. ENERGY: 170600 755.1644 2072.4401 1928.4841 114.4936 -206389.3603 17879.0824 0.0000 0.0000 34261.7671 -149377.9286 299.2165 -183639.6957 -149284.3145 298.8099 -70.4339 -37.2516 556798.2536 3.3720 3.4679 PRESSURE: 170800 98.4079 -9.03522 101.763 -9.03525 68.1689 -14.3046 101.763 -14.3035 143.446 GPRESSURE: 170800 94.2686 -53.2842 147.518 13.5389 117.481 -112.905 58.5585 6.39086 196.046 PRESSAVG: 170800 -21.022 -5.5247 6.70049 -5.52472 -0.153593 -8.31187 6.70037 -8.31177 39.4114 GPRESSAVG: 170800 -19.1855 -8.11164 5.71855 -3.88976 -1.02774 -9.33051 6.92342 -8.58458 38.755 TIMING: 170800 CPU: 493.877, 0.00287427/step Wall: 493.877, 0.00287427/step, 3.85568 hours remaining, 205.773438 MB of memory in use. ENERGY: 170800 748.0985 2084.7164 1916.8591 114.1073 -206275.8641 17848.5166 0.0000 0.0000 34335.7171 -149227.8492 299.8624 -183563.5663 -149129.5808 299.2599 103.3410 135.9318 556627.8098 6.0786 6.1806 PRESSURE: 171000 91.6917 -144.261 -42.2896 -144.262 287.646 60.2708 -42.2892 60.2716 -145.653 GPRESSURE: 171000 163.863 -204.984 31.9782 -126.687 242.166 125.569 -117.155 28.0539 -88.8884 PRESSAVG: 171000 52.6318 -48.1562 -43.1617 -48.1563 -82.5199 -4.73274 -43.1616 -4.73273 -9.32386 GPRESSAVG: 171000 51.7814 -47.6055 -42.91 -49.5582 -82.1102 -3.37407 -42.8759 -4.97334 -8.4449 TIMING: 171000 CPU: 494.453, 0.0028793/step Wall: 494.453, 0.0028793/step, 3.86226 hours remaining, 205.773438 MB of memory in use. ENERGY: 171000 739.6261 2107.1575 1960.1452 114.1527 -206553.4330 17934.8093 0.0000 0.0000 34304.4847 -149393.0574 299.5896 -183697.5422 -149293.5868 299.4113 77.8947 105.7134 557220.8205 -13.0706 -12.9246 PRESSURE: 171200 -126.879 8.99594 160.242 8.99621 78.5863 73.4084 160.241 73.4071 -51.2503 GPRESSURE: 171200 -115.429 -15.2644 106.075 32.0244 139.51 125.698 158.202 56.6881 -32.4023 PRESSAVG: 171200 56.7121 -20.3622 13.9174 -20.3622 -27.8976 57.6079 13.9173 57.6079 -9.62634 GPRESSAVG: 171200 58.3356 -18.3745 15.6486 -21.9221 -28.9338 57.2132 14.2771 58.3507 -10.7647 TIMING: 171200 CPU: 495.031, 0.00289068/step Wall: 495.031, 0.00289068/step, 3.87737 hours remaining, 205.773438 MB of memory in use. ENERGY: 171200 735.3038 2056.7590 1963.0188 137.7908 -206536.8775 17847.1730 0.0000 0.0000 34275.6179 -149521.2142 299.3375 -183796.8321 -149434.4023 298.7284 -33.1810 -2.7736 556403.5452 6.3960 6.2124 PRESSURE: 171400 107.671 14.5598 -65.8896 14.5607 2.2362 150.006 -65.8906 150.006 -240.992 GPRESSURE: 171400 141.399 -6.45092 -78.9525 -17.4464 -3.77882 154.213 -96.4535 145.931 -169.874 PRESSAVG: 171400 50.1574 11.9975 28.4145 11.9975 23.7883 26.8785 28.4145 26.8786 -62.5995 GPRESSAVG: 171400 48.6239 11.6106 28.4616 11.3818 24.3766 25.3262 28.3531 26.5359 -61.7712 TIMING: 171400 CPU: 495.61, 0.00289699/step Wall: 495.61, 0.00289699/step, 3.88567 hours remaining, 205.773438 MB of memory in use. ENERGY: 171400 728.2247 2085.6227 1950.1478 124.2193 -206109.0433 17576.3108 0.0000 0.0000 34096.2977 -149548.2203 297.7714 -183644.5179 -149450.0120 298.3155 -43.6948 -10.7511 556397.1654 3.7821 3.7431 PRESSURE: 171600 -141.177 -80.3532 25.5527 -80.3553 31.5406 89.0867 25.5529 89.0877 349.961 GPRESSURE: 171600 -56.1673 -97.4333 -59.3749 8.83657 28.1968 14.4638 121.165 78.8568 343.381 PRESSAVG: 171600 -146.313 -19.3749 19.0726 -19.3749 14.2731 29.0333 19.0727 29.0334 86.4169 GPRESSAVG: 171600 -145.585 -19.8789 17.9731 -16.9263 14.6306 30.2005 21.2796 29.916 85.7057 TIMING: 171600 CPU: 496.188, 0.00289014/step Wall: 496.188, 0.00289014/step, 3.87632 hours remaining, 205.773438 MB of memory in use. ENERGY: 171600 735.6665 2105.9609 1947.8566 122.0404 -206757.1185 18036.1196 0.0000 0.0000 34046.9557 -149762.5188 297.3405 -183809.4745 -149664.3606 297.7804 80.1082 105.1369 555936.0445 -15.2077 -15.0830 PRESSURE: 171800 -196.474 -77.102 16.3028 -77.1029 -323.853 53.3483 16.304 53.3488 52.4625 GPRESSURE: 171800 -203.224 27.964 83.9973 -149.585 -237.375 103.733 12.9453 113.812 74.5177 PRESSAVG: 171800 -28.7585 56.4168 9.79846 56.4168 8.38474 -9.68893 9.79839 -9.68877 40.4653 GPRESSAVG: 171800 -28.9765 58.4269 10.2175 53.8689 6.93193 -9.29476 8.35892 -8.18165 42.2205 TIMING: 171800 CPU: 496.764, 0.00287685/step Wall: 496.764, 0.00287685/step, 3.85834 hours remaining, 205.773438 MB of memory in use. ENERGY: 171800 790.5877 2091.9698 1978.0081 123.1605 -206658.8696 17880.9829 0.0000 0.0000 34133.2829 -149660.8776 298.0944 -183794.1606 -149569.2873 297.9492 -155.9550 -122.0272 557029.0396 6.6972 6.7253 PRESSURE: 172000 -231.972 -11.3786 57.3275 -11.3788 -2.62403 158.33 57.3284 158.331 10.7686 GPRESSURE: 172000 -189.222 27.3618 46.7047 -22.4292 97.128 184.182 99.5289 76.0265 -38.5549 PRESSAVG: 172000 -50.6039 10.4591 -6.395 10.4591 5.64307 7.15204 -6.39501 7.1521 71.3704 GPRESSAVG: 172000 -50.0406 7.18049 -5.3335 10.7361 6.41028 6.17251 -7.73605 6.44459 70.5443 TIMING: 172000 CPU: 497.343, 0.00289609/step Wall: 497.343, 0.00289609/step, 3.88398 hours remaining, 205.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 172000 709.8893 2137.9017 1963.4450 112.3287 -206284.9592 17739.6431 0.0000 0.0000 34257.9879 -149363.7635 299.1835 -183621.7515 -149261.7286 298.3988 -74.6091 -43.5497 557843.0161 8.8032 8.9713 PRESSURE: 172200 -53.3695 -88.8403 -100.286 -88.8397 -20.9463 -64.9446 -100.287 -64.9434 -22.8156 GPRESSURE: 172200 -69.1098 -126.848 -94.3913 -74.2568 75.0894 -77.2408 -27.8065 -3.25513 5.6932 PRESSAVG: 172200 -10.6097 -14.7362 -0.143221 -14.7362 10.1296 68.9793 -0.143232 68.9792 -37.6066 GPRESSAVG: 172200 -10.4678 -14.7387 -1.16761 -13.9633 8.96305 68.233 0.0954874 68.2221 -36.6822 TIMING: 172200 CPU: 497.919, 0.00288119/step Wall: 497.919, 0.00288119/step, 3.86383 hours remaining, 205.773438 MB of memory in use. ENERGY: 172200 744.8243 2083.7093 1925.7951 123.9824 -206099.3920 17771.9897 0.0000 0.0000 34022.1186 -149426.9725 297.1236 -183449.0912 -149324.7660 299.3160 -32.3772 3.8909 557393.0479 -12.6956 -12.7290 LDB: ============= START OF LOAD BALANCING ============== 501.303 LDB: ============== END OF LOAD BALANCING =============== 501.303 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 501.305 LDB: ============= START OF LOAD BALANCING ============== 501.596 LDB: Largest compute 4822 load 0.022409 is 19.0% of average load 0.117870 LDB: Average compute 0.001706 is 1.4% of average load 0.117870 LDB: TIME 501.599 LOAD: AVG 0.11787 MAX 0.182408 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.867 MB LDB: TIME 501.599 LOAD: AVG 0.11787 MAX 0.182408 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.07 MB LDB: TIME 501.599 LOAD: AVG 0.11787 MAX 0.182408 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 501.601 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 501.605 PRESSURE: 172400 -406.223 102.882 116.796 102.882 -233.766 -160.411 116.795 -160.411 -431.796 GPRESSURE: 172400 -315.413 -2.20217 95.8929 12.3252 -260.761 -197.7 181.18 -186.078 -409.531 PRESSAVG: 172400 -17.7007 47.4544 10.5216 47.4543 22.0673 -8.04945 10.5217 -8.04943 -12.7544 GPRESSAVG: 172400 -16.6321 49.6958 12.434 45.5472 21.6824 -5.73889 9.90564 -6.79184 -13.5014 TIMING: 172400 CPU: 498.51, 0.00295208/step Wall: 498.51, 0.00295207/step, 3.95873 hours remaining, 204.148438 MB of memory in use. ENERGY: 172400 795.2958 2076.3499 1937.3696 110.0385 -206148.0827 17502.7790 0.0000 0.0000 34281.0620 -149445.1879 299.3850 -183726.2499 -149341.9004 299.1455 -357.2616 -328.5686 558742.7401 -2.7959 -2.8170 PRESSURE: 172600 106.293 -51.1658 -47.656 -51.1658 196.57 61.9533 -47.6545 61.9529 -75.7374 GPRESSURE: 172600 141.914 10.1194 -160.259 -133.753 174.465 0.314389 9.69527 69.8306 -6.55329 PRESSAVG: 172600 -5.04093 -0.263539 -0.147907 -0.26357 15.0835 -25.2109 -0.147772 -25.2108 -17.8691 GPRESSAVG: 172600 -5.87997 -1.44334 -2.58228 1.15274 15.9388 -26.075 1.74726 -27.8596 -17.3189 TIMING: 172600 CPU: 499.091, 0.00290865/step Wall: 499.091, 0.00290865/step, 3.90034 hours remaining, 204.347656 MB of memory in use. ENERGY: 172600 728.6011 2050.5993 1937.4741 112.4536 -206513.2127 17951.8983 0.0000 0.0000 34253.7211 -149478.4652 299.1463 -183732.1864 -149374.3818 298.4089 75.7084 103.2750 557815.9236 -2.6088 -2.4200 PRESSURE: 172800 60.0996 50.3904 -49.7147 50.3894 -45.3692 -21.9001 -49.7157 -21.8997 -52.2485 GPRESSURE: 172800 68.5822 -43.4653 -80.8892 94.4345 14.5112 -20.0876 -0.00231331 -138.625 -8.88528 PRESSAVG: 172800 -15.8605 15.051 16.1258 15.051 35.2207 52.4532 16.1257 52.4532 -23.0402 GPRESSAVG: 172800 -16.6566 16.1885 19.053 14.0813 35.6691 54.127 12.9945 53.5382 -23.0707 TIMING: 172800 CPU: 499.668, 0.00288355/step Wall: 499.668, 0.00288355/step, 3.86652 hours remaining, 204.347656 MB of memory in use. ENERGY: 172800 763.7706 2045.0591 1945.0593 106.4762 -206514.2961 17974.4472 0.0000 0.0000 34337.0352 -149342.4485 299.8739 -183679.4837 -149244.6215 298.8101 -12.5060 24.7360 557161.1184 -1.2267 -1.3527 PRESSURE: 173000 -51.1409 158.001 -19.3408 157.999 -91.4637 57.8284 -19.3421 57.8279 -203.823 GPRESSURE: 173000 3.70604 178.08 65.6694 176.142 -94.6944 115.944 -45.3598 -40.6246 -175.179 PRESSAVG: 173000 -67.1851 21.1372 -21.5727 21.1372 10.6087 -53.4129 -21.5727 -53.4129 10.3882 GPRESSAVG: 173000 -66.1565 20.7288 -21.1507 21.1384 9.56957 -54.4687 -20.1599 -52.7287 9.97493 TIMING: 173000 CPU: 500.247, 0.00289183/step Wall: 500.247, 0.00289183/step, 3.87746 hours remaining, 204.417969 MB of memory in use. ENERGY: 173000 720.0540 2090.4231 1942.7026 119.3592 -206011.2800 17637.4305 0.0000 0.0000 34207.7657 -149293.5448 298.7449 -183501.3106 -149189.5970 299.0830 -115.4760 -88.7225 557211.3453 -15.3961 -15.5373 PRESSURE: 173200 -310.015 78.5321 131.234 78.5333 -95.2595 83.3024 131.235 83.3028 -305.564 GPRESSURE: 173200 -249.677 113.186 203.055 99.3399 -70.5907 6.13141 135.759 133.766 -292.154 PRESSAVG: 173200 -68.6999 24.3654 64.4422 24.3653 39.0137 18.6921 64.4423 18.692 12.002 GPRESSAVG: 173200 -69.2958 22.8008 63.9795 26.4671 39.379 18.1506 64.3253 17.956 12.0061 TIMING: 173200 CPU: 500.824, 0.0028861/step Wall: 500.824, 0.0028861/step, 3.86962 hours remaining, 204.417969 MB of memory in use. ENERGY: 173200 768.0998 2069.0302 1950.8315 124.9859 -206157.9506 17621.3906 0.0000 0.0000 34267.0030 -149356.6096 299.2623 -183623.6126 -149252.4243 298.9718 -236.9463 -204.1405 559021.4135 -5.8948 -5.9702 PRESSURE: 173400 90.4199 -165.34 -189.054 -165.341 -74.1536 42.3577 -189.054 42.3583 -68.2059 GPRESSURE: 173400 106.565 -148.305 -190.098 -175.177 -27.989 86.2548 -147.933 -13.0684 -30.1908 PRESSAVG: 173400 -1.01819 -23.8561 -29.7382 -23.8561 -26.668 8.38746 -29.7381 8.38743 -8.28649 GPRESSAVG: 173400 -1.04604 -24.0844 -31.5001 -24.3603 -26.7959 6.76427 -28.5311 8.48885 -8.30161 TIMING: 173400 CPU: 501.398, 0.00287173/step Wall: 501.398, 0.00287173/step, 3.85019 hours remaining, 204.417969 MB of memory in use. ENERGY: 173400 804.6777 2086.0801 1927.9279 106.0434 -206065.7146 17944.7173 0.0000 0.0000 33951.7213 -149244.5470 296.5088 -183196.2684 -149147.5612 299.2434 -17.3132 16.1284 558620.9969 -11.9909 -12.0479 PRESSURE: 173600 34.1357 -9.63626 47.6701 -9.63686 -247.484 120.848 47.6692 120.85 51.0681 GPRESSURE: 173600 64.9886 -71.1589 28.0986 -45.6809 -210.513 119.941 38.4535 96.3977 97.4187 PRESSAVG: 173600 -33.7564 21.8174 -50.1844 21.8175 -17.0544 -2.52417 -50.1843 -2.52414 38.4578 GPRESSAVG: 173600 -33.5465 23.9385 -48.9051 18.7809 -16.9822 -0.320588 -50.6759 -3.03563 38.3885 TIMING: 173600 CPU: 501.974, 0.00287876/step Wall: 501.974, 0.00287876/step, 3.85946 hours remaining, 204.417969 MB of memory in use. ENERGY: 173600 732.2949 2057.3473 1936.5193 114.9903 -206171.8833 17945.6735 0.0000 0.0000 34208.6631 -149176.3948 298.7528 -183385.0579 -149078.9697 299.3919 -54.0934 -16.0352 558949.8457 -4.1177 -4.0467 PRESSURE: 173800 34.0405 2.95119 -251.623 2.95043 -11.3809 -93.1884 -251.624 -93.1879 -34.9205 GPRESSURE: 173800 65.0803 86.3854 -348.491 -22.8288 6.42919 -78.0169 -163.794 -77.8686 17.2618 PRESSAVG: 173800 68.8026 -38.1389 -55.0198 -38.1389 -25.0519 9.73076 -55.0198 9.73081 -24.1428 GPRESSAVG: 173800 69.3758 -40.7197 -55.0598 -34.855 -25.851 7.63114 -55.5058 9.76841 -24.1421 TIMING: 173800 CPU: 502.552, 0.00289015/step Wall: 502.552, 0.00289015/step, 3.87457 hours remaining, 204.417969 MB of memory in use. ENERGY: 173800 755.2329 2057.3495 1939.1280 102.4552 -205949.6983 17730.7531 0.0000 0.0000 34199.0053 -149165.7743 298.6684 -183364.7796 -149071.5933 299.2475 -4.0870 29.5904 557746.3178 6.5360 6.4609 PRESSURE: 174000 -255.239 -90.6897 148.413 -90.69 84.4464 -44.8836 148.413 -44.883 177.832 GPRESSURE: 174000 -212.075 -148.291 59.2047 -68.7206 80.2262 -46.6696 194.045 -24.6484 237.34 PRESSAVG: 174000 37.9632 -62.3149 -31.4945 -62.315 -88.9224 49.6923 -31.4945 49.6922 16.917 GPRESSAVG: 174000 37.9636 -62.1132 -33.2169 -63.0573 -89.5523 50.7087 -29.4982 50.3435 17.6457 TIMING: 174000 CPU: 503.132, 0.00290319/step Wall: 503.132, 0.00290319/step, 3.89188 hours remaining, 204.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 174000 782.9596 2088.8347 1913.4170 117.3927 -206145.2490 17907.8328 0.0000 0.0000 34165.6607 -149169.1514 298.3772 -183334.8121 -149078.0443 299.9422 2.3466 35.1637 557228.8348 -11.3474 -11.3143 PRESSURE: 174200 -226.987 -131.806 108.831 -131.805 -211.277 82.8076 108.831 82.8083 -292.194 GPRESSURE: 174200 -155.648 -198.844 68.335 -123.997 -203.756 122.794 158.433 -5.81947 -284.603 PRESSAVG: 174200 -26.1123 -64.6064 -6.71287 -64.6064 -48.143 25.3442 -6.71287 25.3442 19.5613 GPRESSAVG: 174200 -26.7343 -63.5245 -6.32523 -66.4193 -47.5557 25.4243 -6.23927 24.2608 19.7957 TIMING: 174200 CPU: 503.711, 0.0028929/step Wall: 503.711, 0.0028929/step, 3.87794 hours remaining, 204.417969 MB of memory in use. ENERGY: 174200 735.8110 2086.3876 1939.1367 107.6860 -205714.7366 17463.6398 0.0000 0.0000 34109.4064 -149272.6692 297.8859 -183382.0756 -149173.6947 298.6356 -243.4859 -214.6692 559900.8269 -18.2313 -18.1648 PRESSURE: 174400 -70.9168 -90.1378 -190.046 -90.139 45.0477 -200.247 -190.047 -200.247 -149.93 GPRESSURE: 174400 -26.3919 -52.3412 -248.703 -63.5329 57.3866 -133.185 -181.859 -191.075 -107.146 PRESSAVG: 174400 30.4689 -121.672 -0.846783 -121.672 -0.418434 21.4461 -0.84684 21.446 -39.1828 GPRESSAVG: 174400 31.3415 -120.533 -1.47827 -121.602 -0.47644 20.8111 -2.12608 24.002 -39.9816 TIMING: 174400 CPU: 504.29, 0.00289663/step Wall: 504.29, 0.00289663/step, 3.88278 hours remaining, 204.417969 MB of memory in use. ENERGY: 174400 719.7638 2098.3319 1914.5702 112.9945 -205860.5656 17779.9258 0.0000 0.0000 34042.9247 -149192.0547 297.3053 -183234.9795 -149100.9286 298.6698 -58.5996 -25.3838 559989.8582 -3.0441 -3.0388 PRESSURE: 174600 -446.31 6.65971 9.85137 6.66064 -140.761 113.466 9.85096 113.467 -363.549 GPRESSURE: 174600 -453.24 -33.6185 66.2449 48.5419 -69.5272 98.2655 39.0891 96.6554 -321.753 PRESSAVG: 174600 60.4125 -16.173 1.44537 -16.173 40.4313 13.7471 1.44533 13.7472 -60.7288 GPRESSAVG: 174600 59.4298 -16.1004 3.88988 -15.4608 40.4701 14.9454 -0.564823 12.7514 -60.3898 TIMING: 174600 CPU: 504.872, 0.00290675/step Wall: 504.872, 0.00290675/step, 3.89618 hours remaining, 204.417969 MB of memory in use. ENERGY: 174600 774.3196 2095.1822 1932.9931 115.4851 -205359.3031 17287.3141 0.0000 0.0000 34140.0113 -149013.9979 298.1532 -183154.0092 -148916.4016 299.0522 -316.8733 -281.5067 559257.9679 13.3717 13.1701 PRESSURE: 174800 27.5509 -65.5707 -57.6325 -65.5712 330.677 -94.2003 -57.6318 -94.2013 284.447 GPRESSURE: 174800 85.6799 -39.947 -72.406 -49.7248 298.487 -168.682 -56.4843 -17.9764 357.052 PRESSAVG: 174800 -13.448 -16.0106 6.12714 -16.0106 25.1774 32.6176 6.12719 32.6177 -24.0227 GPRESSAVG: 174800 -12.436 -15.592 4.84751 -17.6848 25.5949 31.3674 8.03144 32.5102 -25.4631 TIMING: 174800 CPU: 505.449, 0.00288567/step Wall: 505.449, 0.00288567/step, 3.86776 hours remaining, 204.417969 MB of memory in use. ENERGY: 174800 727.5128 2057.2217 1936.1308 112.4433 -206006.5903 17987.4398 0.0000 0.0000 34159.1527 -149026.6892 298.3204 -183185.8419 -148931.9858 299.2630 214.2249 247.0731 557635.0495 -4.0977 -4.1014 PRESSURE: 175000 54.3104 -140.716 88.7743 -140.717 -177.03 20.8927 88.7734 20.8918 100.622 GPRESSURE: 175000 86.6163 -124.766 97.9172 -137.842 -129.083 49.2336 91.6863 67.449 107.263 PRESSAVG: 175000 -19.9512 9.44947 13.8878 9.44946 -25.3424 10.2563 13.8878 10.2563 28.9023 GPRESSAVG: 175000 -20.2229 8.74788 14.5065 10.7092 -25.9174 11.2975 13.1058 9.92137 30.3339 TIMING: 175000 CPU: 506.025, 0.00288024/step Wall: 506.025, 0.00288024/step, 3.86032 hours remaining, 204.417969 MB of memory in use. ENERGY: 175000 744.1777 2128.5259 1924.1738 115.1037 -205855.5130 17884.6490 0.0000 0.0000 34074.2891 -148984.5938 297.5792 -183058.8829 -148890.2002 299.1576 -7.3658 21.5987 559437.9224 -5.4638 -5.2688 PRESSURE: 175200 -136.517 151.72 -131.446 151.72 4.39139 159.671 -131.445 159.673 266.199 GPRESSURE: 175200 -77.6304 137.877 -91.0361 148.301 79.064 57.925 -119.235 116.887 233.817 PRESSAVG: 175200 12.161 40.6934 -16.7907 40.6934 -29.5885 -47.5048 -16.7907 -47.5048 -43.3237 GPRESSAVG: 175200 11.5463 40.3701 -18.1074 39.786 -27.73 -47.5356 -13.5203 -46.8317 -44.1204 TIMING: 175200 CPU: 506.6, 0.00287521/step Wall: 506.6, 0.00287521/step, 3.85342 hours remaining, 204.417969 MB of memory in use. ENERGY: 175200 686.6933 2119.2711 1929.0995 120.2792 -206105.6090 17744.2878 0.0000 0.0000 34338.6506 -149167.3275 299.8880 -183505.9781 -149074.1443 299.6936 44.6911 78.4169 556658.9255 -20.2504 -20.1014 PRESSURE: 175400 58.7373 -153.464 -24.7859 -153.463 18.7747 -108.23 -24.7871 -108.23 21.7417 GPRESSURE: 175400 62.3219 -93.6123 17.7626 -183.714 24.0231 -109.13 -3.88882 -65.6091 108.251 PRESSAVG: 175400 84.7767 -5.12768 -75.1665 -5.12752 -26.7787 17.8038 -75.1663 17.8038 -10.083 GPRESSAVG: 175400 85.2904 -6.40537 -74.4766 -3.76932 -28.5183 15.8367 -78.3898 17.4375 -9.35469 TIMING: 175400 CPU: 507.175, 0.00287377/step Wall: 507.175, 0.00287377/step, 3.85133 hours remaining, 204.417969 MB of memory in use. ENERGY: 175400 765.0286 2063.6863 1943.0600 110.1879 -206167.9971 17945.8768 0.0000 0.0000 34211.0965 -149129.0610 298.7740 -183340.1575 -149033.0664 299.3291 33.0845 64.8654 557879.6724 15.9717 15.8058 PRESSURE: 175600 7.69128 -168.37 19.5339 -168.37 -23.9915 26.3232 19.5333 26.3236 52.2292 GPRESSURE: 175600 87.401 -213.38 175.798 -75.2143 -23.2757 76.9542 -69.1134 45.667 59.6128 PRESSAVG: 175600 81.1271 -31.0946 -49.929 -31.0946 -14.6892 21.3897 -49.9289 21.3898 -29.4972 GPRESSAVG: 175600 81.88 -30.0747 -50.4153 -31.8655 -14.1408 23.2143 -48.0927 22.13 -30.8203 TIMING: 175600 CPU: 507.749, 0.00287049/step Wall: 507.749, 0.00287049/step, 3.84678 hours remaining, 204.417969 MB of memory in use. ENERGY: 175600 748.4145 2039.9091 1931.7507 111.6774 -205987.6034 17779.5027 0.0000 0.0000 34255.7422 -149120.6067 299.1639 -183376.3490 -149027.0085 299.6293 11.9763 41.2460 556033.3255 12.3136 12.3063 PRESSURE: 175800 115.548 -53.3754 101.746 -53.3749 55.2356 70.5532 101.745 70.5509 216.489 GPRESSURE: 175800 127.665 -40.7948 98.0132 -108.839 63.75 112.376 19.5469 16.5807 289.604 PRESSAVG: 175800 -5.68651 -28.6628 -23.5438 -28.6628 24.3141 14.9204 -23.5437 14.9205 -18.6824 GPRESSAVG: 175800 -5.62215 -26.4983 -23.6408 -30.4687 24.0003 14.2931 -24.6093 15.3855 -18.6941 TIMING: 175800 CPU: 508.325, 0.00287913/step Wall: 508.325, 0.00287913/step, 3.85819 hours remaining, 204.417969 MB of memory in use. ENERGY: 175800 718.5071 2078.5637 1948.3697 117.3730 -206555.0751 18011.8413 0.0000 0.0000 34391.5715 -149288.8488 300.3501 -183680.4203 -149197.3870 299.6380 129.0909 160.3396 556146.4779 -0.0182 -0.1053 PRESSURE: 176000 139.806 -78.3239 113.222 -78.3248 228.155 -137.606 113.222 -137.607 -33.5952 GPRESSURE: 176000 125.9 -76.4342 85.66 -60.4329 305.562 -172.871 154.015 -108.54 0.336713 PRESSAVG: 176000 28.0495 -22.0333 5.24174 -22.0332 0.975417 11.6546 5.24172 11.6545 -31.6725 GPRESSAVG: 176000 27.364 -24.9503 6.17601 -19.9078 1.47263 12.2231 3.63248 11.5117 -31.6032 TIMING: 176000 CPU: 508.902, 0.00288547/step Wall: 508.902, 0.00288547/step, 3.86653 hours remaining, 204.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 176000 751.6534 2049.2947 1925.6374 106.8430 -206678.6517 18269.0002 0.0000 0.0000 34091.8734 -149484.3495 297.7328 -183576.2229 -149391.8189 298.8618 111.4554 143.9328 558528.3356 -0.8825 -0.9222 PRESSURE: 176200 -16.8898 117.28 71.9097 117.279 51.0774 -127.265 71.909 -127.263 11.7404 GPRESSURE: 176200 43.4294 79.781 117.077 162.579 28.6583 -115.174 64.4929 -88.2018 70.5908 PRESSAVG: 176200 -32.3299 23.5267 -20.1805 23.5266 -17.6476 -37.9161 -20.1805 -37.9161 2.27064 GPRESSAVG: 176200 -32.8983 26.3193 -21.494 24.6164 -18.5354 -38.9354 -17.713 -36.6639 3.5716 TIMING: 176200 CPU: 509.478, 0.00288239/step Wall: 509.478, 0.00288239/step, 3.86224 hours remaining, 204.417969 MB of memory in use. ENERGY: 176200 712.0044 2076.7925 1923.6608 111.1184 -206538.0296 17981.8240 0.0000 0.0000 34150.9115 -149581.7179 298.2484 -183732.6295 -149476.3002 298.1934 15.3093 47.5595 557664.3145 -15.9023 -15.9540 LDB: ============= START OF LOAD BALANCING ============== 512.861 LDB: ============== END OF LOAD BALANCING =============== 512.861 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 512.863 LDB: ============= START OF LOAD BALANCING ============== 513.15 LDB: Largest compute 4822 load 0.023274 is 19.7% of average load 0.117860 LDB: Average compute 0.001709 is 1.5% of average load 0.117860 LDB: TIME 513.153 LOAD: AVG 0.11786 MAX 0.1776 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.977 MB LDB: TIME 513.153 LOAD: AVG 0.11786 MAX 0.1776 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.98 MB LDB: TIME 513.153 LOAD: AVG 0.11786 MAX 0.1776 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.98 MB LDB: ============== END OF LOAD BALANCING =============== 513.155 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 513.159 PRESSURE: 176400 246.693 -60.2755 -107.565 -60.2759 -174.233 -31.7489 -107.565 -31.7489 209.57 GPRESSURE: 176400 288.889 -139.366 -21.3463 -25.1242 -185.229 -61.6587 -214.938 53.7017 268.666 PRESSAVG: 176400 19.5149 -26.7381 -21.5585 -26.738 -16.7135 23.6007 -21.5585 23.6008 -2.07744 GPRESSAVG: 176400 19.0477 -29.2733 -22.5139 -25.5011 -15.5151 23.7536 -22.985 22.0901 -3.21367 TIMING: 176400 CPU: 510.063, 0.00292626/step Wall: 510.063, 0.00292626/step, 3.92086 hours remaining, 204.222656 MB of memory in use. ENERGY: 176400 731.0099 2083.2788 1907.7059 119.0555 -206768.1467 18093.6151 0.0000 0.0000 34222.3846 -149611.0969 298.8726 -183833.4815 -149512.2267 298.7019 94.0101 124.1089 557752.9287 0.2413 0.1063 PRESSURE: 176600 15.8535 267.022 -66.7548 267.023 -84.0269 -65.0433 -66.7521 -65.0417 -9.36736 GPRESSURE: 176600 44.2857 259.736 -149.603 252.574 -27.8474 -23.8698 23.3828 -184.065 -5.63842 PRESSAVG: 176600 13.9791 33.3375 -9.7042 33.3375 26.6081 -45.2593 -9.70415 -45.2592 -2.69171 GPRESSAVG: 176600 14.4117 33.9088 -8.57196 29.994 25.3785 -44.5831 -9.4594 -44.8247 -2.33242 TIMING: 176600 CPU: 510.644, 0.00290221/step Wall: 510.644, 0.00290221/step, 3.88848 hours remaining, 204.222656 MB of memory in use. ENERGY: 176600 704.3171 2069.0742 1942.3564 121.6319 -206418.6737 17810.5182 0.0000 0.0000 34107.3754 -149663.4006 297.8682 -183770.7759 -149566.3797 297.4859 -25.8469 3.5999 557699.1246 12.6318 12.4859 PRESSURE: 176800 -47.8607 60.2198 60.6975 60.2203 -343.044 39.8817 60.6977 39.8822 -97.3284 GPRESSURE: 176800 -61.2315 -1.15871 2.32936 75.6944 -256.273 92.7884 116.452 -36.6511 -79.4423 PRESSAVG: 176800 12.1893 66.2125 20.8685 66.2125 5.2464 -61.372 20.8686 -61.3721 36.387 GPRESSAVG: 176800 11.042 66.307 19.6097 65.8655 6.14607 -63.8596 22.6898 -60.8315 36.22 TIMING: 176800 CPU: 511.225, 0.00290584/step Wall: 511.225, 0.00290584/step, 3.89319 hours remaining, 204.480469 MB of memory in use. ENERGY: 176800 725.4015 2067.8600 1936.6854 110.5062 -206202.8063 17433.5919 0.0000 0.0000 34300.4656 -149628.2957 299.5545 -183928.7613 -149538.0384 297.4725 -162.7445 -132.3156 556678.5276 17.9409 17.8027 PRESSURE: 177000 -93.5033 -57.6702 67.264 -57.6712 -157.459 -34.7386 67.2633 -34.7385 105.09 GPRESSURE: 177000 -15.5191 -21.8452 1.7645 -57.5547 -130.183 -113.875 60.74 1.54042 97.2775 PRESSAVG: 177000 -36.6237 -30.6208 14.4493 -30.6207 -64.9193 -66.5053 14.4492 -66.5054 58.9689 GPRESSAVG: 177000 -34.7214 -30.8616 16.0847 -28.9434 -65.2617 -63.6563 13.0114 -66.7369 58.003 TIMING: 177000 CPU: 511.808, 0.00291524/step Wall: 511.808, 0.00291524/step, 3.90562 hours remaining, 204.480469 MB of memory in use. ENERGY: 177000 722.3412 2070.1745 1937.3294 102.9340 -205926.7936 17483.0281 0.0000 0.0000 34111.4193 -149499.5671 297.9035 -183610.9864 -149406.4211 297.9964 -48.6243 -16.1416 558529.1788 -14.1914 -13.9933 PRESSURE: 177200 -104.095 -153.951 4.62924 -153.951 309.16 -97.0923 4.62851 -97.0918 -32.7155 GPRESSURE: 177200 -21.8833 -208.169 -12.0923 -124.835 311.257 -5.00582 -61.566 -93.1907 -16.8511 PRESSAVG: 177200 -15.0316 -24.4384 33.9769 -24.4384 36.2699 -34.8376 33.9769 -34.8376 1.97603 GPRESSAVG: 177200 -16.0269 -24.8018 32.7349 -23.9293 36.3056 -36.8391 34.3444 -34.5553 2.8493 TIMING: 177200 CPU: 512.392, 0.00291972/step Wall: 512.392, 0.00291972/step, 3.91145 hours remaining, 204.480469 MB of memory in use. ENERGY: 177200 736.5639 2085.0521 1969.2063 109.7602 -206636.3949 18013.4069 0.0000 0.0000 34307.0778 -149415.3275 299.6122 -183722.4053 -149325.1350 298.8571 57.4499 90.8408 556833.2739 7.7381 7.7093 PRESSURE: 177400 -281.438 28.8553 128.104 28.8561 43.7566 -178.631 128.104 -178.63 11.8082 GPRESSURE: 177400 -180.637 -49.4045 34.3984 42.7639 30.1803 -65.311 188.102 -166.591 8.97333 PRESSAVG: 177400 -38.8796 4.40908 67.4224 4.40909 32.0073 -3.59064 67.4224 -3.59072 26.7478 GPRESSAVG: 177400 -39.0132 4.55011 66.7773 5.27444 31.8775 -2.72778 68.1542 -4.25546 26.5663 TIMING: 177400 CPU: 512.97, 0.00289158/step Wall: 512.97, 0.00289158/step, 3.87359 hours remaining, 204.480469 MB of memory in use. ENERGY: 177400 696.1431 2045.7556 1952.6414 101.1478 -206059.5214 17629.6835 0.0000 0.0000 34157.0685 -149477.0814 298.3022 -183634.1499 -149384.8558 298.9350 -75.2911 -47.1610 557804.1807 6.6252 6.4769 PRESSURE: 177600 -121.542 18.4559 25.8827 18.4555 -199.299 -93.6994 25.8817 -93.7016 -77.8556 GPRESSURE: 177600 -97.8803 5.58541 19.0634 61.4584 -136.224 -95.2051 71.2804 -155.314 -61.5009 PRESSAVG: 177600 -17.9124 12.4149 81.5678 12.4148 7.1345 -0.983817 81.5679 -0.983788 -17.0119 GPRESSAVG: 177600 -16.9934 12.6519 81.926 10.3299 6.34498 -3.08494 81.3937 -0.129924 -17.0507 TIMING: 177600 CPU: 513.553, 0.00291226/step Wall: 513.553, 0.00291226/step, 3.90113 hours remaining, 204.480469 MB of memory in use. ENERGY: 177600 716.6354 2111.3327 1938.1598 117.1073 -206166.8649 17520.8839 0.0000 0.0000 34210.2396 -149552.5063 298.7665 -183762.7459 -149450.5062 298.5518 -132.8990 -98.5351 557358.2562 -9.2633 -9.2330 PRESSURE: 177800 154.888 156.015 -121.726 156.014 266.742 20.5607 -121.725 20.561 -60.4724 GPRESSURE: 177800 212.202 111.805 -191.334 54.4526 251.55 98.874 -139.228 6.39362 1.66715 PRESSAVG: 177800 -28.4591 -31.1032 -11.3198 -31.1031 -17.6792 -3.87569 -11.3198 -3.87573 31.5032 GPRESSAVG: 177800 -29.3649 -30.1091 -11.0939 -31.2903 -16.3307 -1.52033 -12.0281 -5.27204 31.1246 TIMING: 177800 CPU: 514.131, 0.00289037/step Wall: 514.131, 0.00289037/step, 3.87165 hours remaining, 204.480469 MB of memory in use. ENERGY: 177800 717.0830 2113.6657 1925.2148 118.7245 -206402.4804 17948.2503 0.0000 0.0000 34371.6864 -149207.8555 300.1765 -183579.5420 -149107.9970 299.5063 120.3860 155.1397 556564.1872 -4.8784 -4.8570 PRESSURE: 178000 125.087 6.13535 -90.374 6.13495 -279.667 -165.195 -90.3743 -165.195 -86.408 GPRESSURE: 178000 123.081 -49.1835 -133.076 -13.6248 -225.135 -170.705 -101.501 -218.261 -48.2657 PRESSAVG: 178000 32.2011 -5.8299 -9.43998 -5.82975 15.0406 -47.8802 -9.43991 -47.8802 -31.2607 GPRESSAVG: 178000 32.5924 -5.99844 -9.25983 -6.31496 14.8958 -50.2951 -8.73543 -45.9192 -31.4072 TIMING: 178000 CPU: 514.708, 0.00288451/step Wall: 514.708, 0.00288451/step, 3.86364 hours remaining, 204.480469 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: 178000 739.9481 2127.3883 1947.8766 114.0420 -205974.1965 17663.3830 0.0000 0.0000 34278.4493 -149103.1092 299.3622 -183381.5584 -149007.0940 300.0933 -80.3292 -50.1065 557536.6733 5.3270 5.3604 PRESSURE: 178200 -200.635 -28.7337 144.246 -28.7327 -156.106 33.6104 144.244 33.6103 114.01 GPRESSURE: 178200 -170.298 -144.049 56.5379 75.1945 -75.314 37.8735 146.657 58.11 105.668 PRESSAVG: 178200 -2.20814 20.5648 -10.2524 20.5648 -18.1711 13.5639 -10.2524 13.564 47.5287 GPRESSAVG: 178200 -3.01478 19.3789 -9.99791 21.2732 -18.8212 13.708 -10.72 11.34 48.4675 TIMING: 178200 CPU: 515.287, 0.00289569/step Wall: 515.287, 0.00289569/step, 3.87846 hours remaining, 204.480469 MB of memory in use. ENERGY: 178200 757.5370 2089.4055 1919.0915 118.5827 -205713.9079 17707.3965 0.0000 0.0000 34053.1698 -149068.7248 297.3948 -183121.8945 -148979.0833 299.7355 -80.9107 -46.6480 558577.7943 9.0498 8.8772 PRESSURE: 178400 56.8835 -34.1603 109.69 -34.1607 49.4743 34.5975 109.691 34.5985 273.817 GPRESSURE: 178400 85.7115 52.6617 117.45 -0.504166 129.92 19.6652 131.62 40.8794 273.747 PRESSAVG: 178400 -57.0189 0.462169 3.67428 0.462166 65.5711 6.90685 3.67426 6.90683 9.76045 GPRESSAVG: 178400 -58.022 -0.726689 4.89534 1.79732 65.646 9.67261 4.25544 7.6274 10.2258 TIMING: 178400 CPU: 515.867, 0.00289994/step Wall: 515.867, 0.00289994/step, 3.88399 hours remaining, 204.480469 MB of memory in use. ENERGY: 178400 744.9853 2092.1763 1918.3784 114.1453 -206322.3160 18003.3759 0.0000 0.0000 34264.0381 -149185.2167 299.2364 -183449.2548 -149082.7783 299.7972 126.7249 163.1261 557036.2491 6.1042 5.9500 PRESSURE: 178600 213.275 233.231 -14.4918 233.231 -210.175 -101.782 -14.4915 -101.783 259.379 GPRESSURE: 178600 265.495 195.459 -38.4009 245.923 -169.044 -124.143 19.9451 -122.823 260.811 PRESSAVG: 178600 -16.8192 -17.4728 51.5824 -17.473 61.2712 0.192368 51.5824 0.192404 -70.1116 GPRESSAVG: 178600 -15.0376 -17.1613 51.4934 -18.8445 59.7174 -0.131266 50.7728 -0.465002 -70.0483 TIMING: 178600 CPU: 516.442, 0.00287699/step Wall: 516.442, 0.00287699/step, 3.85309 hours remaining, 204.480469 MB of memory in use. ENERGY: 178600 763.1846 2060.6437 1910.1862 107.8925 -206545.4911 18013.7594 0.0000 0.0000 34285.1620 -149404.6628 299.4208 -183689.8247 -149312.5210 298.8114 87.4929 119.0876 556686.7520 -8.5532 -8.4562 PRESSURE: 178800 -59.6667 -86.3197 65.2453 -86.3205 -251.457 -106.03 65.2454 -106.029 216.379 GPRESSURE: 178800 -49.2505 -109.596 135.514 -30.5322 -226.116 -111.407 45.8131 -237.106 285.703 PRESSAVG: 178800 -13.4777 17.1632 74.7224 17.1632 4.27618 -23.5664 74.7225 -23.5664 14.2418 GPRESSAVG: 178800 -15.1796 17.7613 74.6087 15.6465 5.85014 -24.1889 76.1022 -24.96 14.6147 TIMING: 178800 CPU: 517.019, 0.00288133/step Wall: 517.019, 0.00288133/step, 3.85875 hours remaining, 204.480469 MB of memory in use. ENERGY: 178800 736.6416 2034.7887 1943.1676 118.9358 -206525.1590 17869.0537 0.0000 0.0000 34396.6284 -149425.9432 300.3943 -183822.5716 -149326.4846 298.5929 -31.5818 3.4457 556617.9850 1.6801 1.7617 PRESSURE: 179000 -20.4962 -27.5546 -30.242 -27.5552 -164.739 -60.5389 -30.2416 -60.5372 -54.7255 GPRESSURE: 179000 -14.0951 14.9004 -20.9857 -61.892 -131.028 -33.8125 -110.739 -121.958 -10.6015 PRESSAVG: 179000 14.4244 -9.99918 -15.4738 -9.99926 -31.3325 11.8511 -15.4738 11.8513 -36.2624 GPRESSAVG: 179000 15.1851 -7.76219 -13.6307 -10.4735 -31.3804 11.1625 -15.4157 15.2255 -37.2065 TIMING: 179000 CPU: 517.594, 0.00287901/step Wall: 517.594, 0.00287901/step, 3.85547 hours remaining, 204.480469 MB of memory in use. ENERGY: 179000 758.3937 2058.9093 1949.4707 113.6901 -206168.2757 17760.2072 0.0000 0.0000 34024.9622 -149502.6426 297.1485 -183527.6048 -149407.6285 298.1664 -79.9870 -51.9081 558525.2536 -17.7235 -17.8006 PRESSURE: 179200 56.4572 51.5902 -143.021 51.5909 97.5633 57.092 -143.022 57.0911 -11.4283 GPRESSURE: 179200 89.224 100.028 -207.032 -78.0974 122.472 43.291 -169.664 -4.33934 21.8781 PRESSAVG: 179200 46.1538 7.22984 -48.2334 7.22985 -29.1919 -1.6347 -48.2334 -1.6347 19.3655 GPRESSAVG: 179200 46.325 5.85953 -50.0028 7.4877 -29.5641 -3.0445 -48.9199 -1.09997 19.7695 TIMING: 179200 CPU: 518.17, 0.00287979/step Wall: 518.17, 0.00287979/step, 3.85636 hours remaining, 204.480469 MB of memory in use. ENERGY: 179200 779.3448 2035.8581 1956.7682 100.4995 -206838.3720 18160.5104 0.0000 0.0000 34173.8869 -149631.5041 298.4491 -183805.3910 -149530.6834 298.4480 47.5307 77.8579 557039.2407 12.1091 12.1768 PRESSURE: 179400 -392.137 -12.7089 34.3644 -12.7087 -107.697 48.9961 34.3635 48.9954 -239.719 GPRESSURE: 179400 -395.772 43.4134 -12.0249 -29.5465 -14.6862 62.2389 98.4769 42.5326 -221.739 PRESSAVG: 179400 -13.012 3.59053 75.2845 3.59055 -4.9533 -24.441 75.2844 -24.441 -34.5834 GPRESSAVG: 179400 -12.9318 2.91778 74.8213 3.80189 -3.51144 -23.0274 76.6047 -24.6104 -35.1128 TIMING: 179400 CPU: 518.752, 0.00291047/step Wall: 518.752, 0.00291047/step, 3.89728 hours remaining, 204.480469 MB of memory in use. ENERGY: 179400 754.9107 2024.4957 1930.0837 126.0642 -205940.8598 17498.9518 0.0000 0.0000 34090.1150 -149516.2388 297.7175 -183606.3538 -149422.8692 297.8746 -246.5179 -210.7324 558095.0019 -17.5162 -17.1853 PRESSURE: 179600 304.313 -79.9284 -212.907 -79.929 129.791 82.8379 -212.907 82.8367 297.819 GPRESSURE: 179600 356.062 -118.656 -177.784 -25.4114 241.05 162.013 -121.478 89.1519 244.31 PRESSAVG: 179600 3.36667 8.40327 -6.30573 8.40323 -15.023 47.2849 -6.30579 47.2848 47.679 GPRESSAVG: 179600 3.93979 8.02255 -8.54848 8.18989 -14.2045 47.5078 -4.52904 44.8821 46.7542 TIMING: 179600 CPU: 519.333, 0.0029044/step Wall: 519.333, 0.0029044/step, 3.88899 hours remaining, 204.480469 MB of memory in use. ENERGY: 179600 750.3737 2056.5009 1950.9926 103.1018 -206969.2592 18371.4342 0.0000 0.0000 34118.8514 -149618.0047 297.9684 -183736.8561 -149520.9626 298.4606 243.9743 280.4740 557693.4195 12.0076 12.1632 PRESSURE: 179800 -70.2566 103.445 101.841 103.445 -334.329 163.127 101.841 163.127 -94.108 GPRESSURE: 179800 -41.4503 121.613 128.682 121.539 -272.146 224.582 -0.690586 67.8419 -90.9361 PRESSAVG: 179800 36.3321 19.5182 -26.5704 19.5181 -13.9046 -0.452603 -26.5704 -0.452577 -51.8234 GPRESSAVG: 179800 35.7198 17.2137 -24.9669 19.8992 -14.2951 -1.29109 -29.5001 -0.00280833 -51.3569 TIMING: 179800 CPU: 519.907, 0.0028665/step Wall: 519.907, 0.0028665/step, 3.83808 hours remaining, 204.480469 MB of memory in use. ENERGY: 179800 753.5483 2047.7560 1926.8378 109.0579 -206150.9875 17602.2103 0.0000 0.0000 34118.1833 -149593.3938 297.9626 -183711.5771 -149491.7682 298.7096 -166.2312 -134.8440 557969.7470 -9.7986 -9.9774 PRESSURE: 180000 -39.5031 27.0118 1.0605 27.0114 169.755 -70.9975 1.06066 -70.9975 -200.584 GPRESSURE: 180000 16.9189 32.902 71.0938 27.2287 129.37 -94.0799 7.3771 -48.9503 -110.97 PRESSAVG: 180000 79.4826 -2.93481 -16.8449 -2.93487 -26.694 -22.1052 -16.8449 -22.1052 -23.2292 GPRESSAVG: 180000 79.1269 -1.705 -17.6076 -2.48387 -27.7441 -21.7548 -15.5764 -21.0681 -21.4397 TIMING: 180000 CPU: 520.482, 0.00287913/step Wall: 520.482, 0.00287913/step, 3.85484 hours remaining, 204.480469 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: 180000 734.1295 2032.7847 1933.5492 109.3706 -206677.2747 17986.0398 0.0000 0.0000 34246.8179 -149634.5829 299.0860 -183881.4008 -149534.8057 298.2722 -23.4442 11.7732 556547.9307 9.8532 9.9810 PRESSURE: 180200 -162.018 -86.901 146.182 -86.9002 -168.89 -41.6633 146.182 -41.6642 178.538 GPRESSURE: 180200 -91.0974 -29.4536 124.401 -56.0006 -99.2954 -22.2143 229.804 -24.0597 131.864 PRESSAVG: 180200 42.542 24.431 46.3109 24.4311 -64.61 -7.19704 46.3109 -7.19701 1.64437 GPRESSAVG: 180200 42.9962 24.8797 46.9722 24.2677 -64.3593 -5.68313 44.3197 -5.29616 1.09159 TIMING: 180200 CPU: 521.063, 0.00290147/step Wall: 521.063, 0.00290147/step, 3.88459 hours remaining, 204.480469 MB of memory in use. ENERGY: 180200 741.4536 2045.9074 1906.2116 107.2895 -206034.5056 17691.5654 0.0000 0.0000 33994.7565 -149547.3216 296.8847 -183542.0782 -149449.9044 297.4375 -50.7897 -19.5097 557395.8251 -6.8079 -6.7572 LDB: ============= START OF LOAD BALANCING ============== 524.449 LDB: ============== END OF LOAD BALANCING =============== 524.449 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 524.451 LDB: ============= START OF LOAD BALANCING ============== 524.738 LDB: Largest compute 4820 load 0.023117 is 19.6% of average load 0.117874 LDB: Average compute 0.001712 is 1.5% of average load 0.117874 LDB: TIME 524.74 LOAD: AVG 0.117874 MAX 0.178447 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.863 MB LDB: TIME 524.741 LOAD: AVG 0.117874 MAX 0.178447 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.07 MB LDB: TIME 524.741 LOAD: AVG 0.117874 MAX 0.178447 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 524.742 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 524.746 PRESSURE: 180400 74.3501 -5.36419 151.917 -5.36509 -10.714 45.2672 151.917 45.2686 93.5088 GPRESSURE: 180400 120.232 10.8108 160.621 -51.8424 31.4114 46.9312 90.7177 -58.9486 109.964 PRESSAVG: 180400 -65.935 -53.5747 12.5604 -53.5747 -13.6163 -5.47178 12.5604 -5.47182 57.1633 GPRESSAVG: 180400 -65.9085 -55.0561 12.924 -54.0159 -13.9641 -7.11707 14.4039 -6.51177 57.7765 TIMING: 180400 CPU: 521.651, 0.00293943/step Wall: 521.651, 0.00293943/step, 3.93524 hours remaining, 206.406250 MB of memory in use. ENERGY: 180400 735.8885 2059.9466 1934.7962 123.2178 -206323.3543 17892.4469 0.0000 0.0000 34184.4551 -149392.6031 298.5413 -183577.0582 -149297.5941 297.9372 52.3816 87.2026 557073.2591 -7.4627 -7.3654 PRESSURE: 180600 74.0242 171.706 115.016 171.708 -225.8 76.1405 115.016 76.1415 191.184 GPRESSURE: 180600 74.8107 209.056 56.1819 121.674 -140.034 106.273 133.062 65.0081 207.729 PRESSAVG: 180600 8.17372 -3.19319 -10.0278 -3.19312 37.3702 29.6389 -10.0279 29.6389 -31.3246 GPRESSAVG: 180600 8.08569 -1.26253 -9.43612 -3.74848 37.9478 30.9516 -11.253 29.794 -32.0862 TIMING: 180600 CPU: 522.228, 0.00288462/step Wall: 522.228, 0.00288462/step, 3.8617 hours remaining, 206.609375 MB of memory in use. ENERGY: 180600 736.8616 2071.9449 1954.0581 124.4244 -206095.6450 17712.5276 0.0000 0.0000 34168.2465 -149327.5818 298.3998 -183495.8284 -149225.6684 298.3481 13.1362 47.5018 557722.1209 4.7398 4.6491 PRESSURE: 180800 -95.1648 -93.3436 -85.8136 -93.3456 81.1363 13.7481 -85.8134 13.747 -190.641 GPRESSURE: 180800 -19.8243 -107.804 -157.644 -144.721 64.9533 -24.8479 -40.6793 36.7409 -139.129 PRESSAVG: 180800 -3.9881 -30.9993 -26.5918 -30.9993 15.1922 12.2277 -26.5918 12.2276 -9.65759 GPRESSAVG: 180800 -3.91015 -30.2611 -26.8295 -31.204 15.7641 11.6512 -26.4638 11.6838 -10.9132 TIMING: 180800 CPU: 522.805, 0.00288758/step Wall: 522.805, 0.00288758/step, 3.8655 hours remaining, 206.609375 MB of memory in use. ENERGY: 180800 717.7002 2045.4525 1927.1593 104.2985 -205883.9399 17656.6008 0.0000 0.0000 34215.6296 -149217.0990 298.8136 -183432.7286 -149123.4998 298.8601 -68.2233 -31.3334 556674.6799 0.5155 0.3136 PRESSURE: 181000 -87.8452 128.96 -124.02 128.961 -100.891 -232.496 -124.019 -232.496 -229.26 GPRESSURE: 181000 -110.592 142.599 -121.851 101.483 -2.83961 -200.006 -97.0952 -184.894 -217.191 PRESSAVG: 181000 -35.2226 -23.1342 -5.33049 -23.1343 7.01358 -15.2909 -5.3305 -15.2908 -33.4592 GPRESSAVG: 181000 -36.4261 -22.3964 -4.41946 -22.803 7.48476 -13.2147 -5.18614 -15.5682 -33.3854 TIMING: 181000 CPU: 523.382, 0.00288631/step Wall: 523.382, 0.00288631/step, 3.86364 hours remaining, 206.609375 MB of memory in use. ENERGY: 181000 767.5732 2078.5114 1932.7562 109.4231 -205984.7453 17637.7376 0.0000 0.0000 34308.8065 -149149.9372 299.6273 -183458.7437 -149049.2117 299.3976 -139.3321 -110.2073 558492.6825 -20.5561 -20.7756 PRESSURE: 181200 -37.8964 -58.0004 -26.1987 -57.9995 22.3522 53.7533 -26.1986 53.7539 -202.663 GPRESSURE: 181200 -81.3028 -108.504 -41.7786 -49.0312 100.011 24.543 -13.3283 29.4871 -132.229 PRESSAVG: 181200 -54.9773 55.6798 -70.018 55.6798 22.7533 37.5034 -70.018 37.5034 36.9251 GPRESSAVG: 181200 -54.5569 53.003 -70.2804 57.1389 22.5924 36.2154 -70.5693 38.8198 37.209 TIMING: 181200 CPU: 523.956, 0.00286704/step Wall: 523.956, 0.00286704/step, 3.83769 hours remaining, 206.609375 MB of memory in use. ENERGY: 181200 708.5486 2112.7185 1931.2792 111.9947 -206131.7844 17712.5182 0.0000 0.0000 34407.4876 -149147.2377 300.4891 -183554.7253 -149051.1782 299.7791 -72.7357 -37.8401 557300.3851 1.5670 1.7482 PRESSURE: 181400 -145.053 -87.5218 28.7775 -87.522 -653.879 60.3061 28.7779 60.3062 17.9235 GPRESSURE: 181400 -119.388 -24.7292 -73.7325 -27.7793 -556.47 67.1974 85.3371 75.3673 0.611868 PRESSAVG: 181400 -52.9008 60.0379 31.9906 60.0378 -23.3198 -4.08167 31.9906 -4.08157 44.8943 GPRESSAVG: 181400 -52.9873 62.4844 33.7001 60.0894 -24.3377 -4.14678 30.7911 -3.46311 45.1279 TIMING: 181400 CPU: 524.531, 0.0028784/step Wall: 524.531, 0.0028784/step, 3.85273 hours remaining, 206.609375 MB of memory in use. ENERGY: 181400 762.6282 2072.4420 1982.0677 110.1398 -205798.4742 17440.8894 0.0000 0.0000 34239.6357 -149190.6715 299.0233 -183430.3072 -149087.2858 299.9382 -260.3361 -225.0821 558566.1944 -10.4421 -10.7324 PRESSURE: 181600 -142.61 -225.649 -31.2002 -225.651 -237.868 71.7055 -31.2017 71.7058 -79.5561 GPRESSURE: 181600 -126.835 -170.254 -57.9053 -317.933 -206.089 39.2431 -55.5367 25.8966 -28.076 PRESSAVG: 181600 -0.577278 -31.6896 -42.1164 -31.6897 -18.5324 60.1923 -42.1164 60.1924 2.86 GPRESSAVG: 181600 1.64807 -32.6697 -43.8909 -34.8668 -19.738 59.4269 -39.7838 59.8112 2.0041 TIMING: 181600 CPU: 525.107, 0.00287914/step Wall: 525.107, 0.00287914/step, 3.85357 hours remaining, 206.609375 MB of memory in use. ENERGY: 181600 768.8506 2083.6431 1960.6611 110.5843 -206187.4664 17762.8380 0.0000 0.0000 34186.7122 -149314.1769 298.5611 -183500.8892 -149217.6897 298.5245 -153.3446 -120.3333 558455.3917 -5.4166 -5.3619 PRESSURE: 181800 -134.723 21.009 -196.554 21.0088 -149.166 -66.838 -196.556 -66.8385 -371.329 GPRESSURE: 181800 -130.758 -24.1537 -137.886 160.973 -73.9378 -114.824 -202.16 -35.9158 -350.358 PRESSAVG: 181800 -26.5994 12.2523 -47.7964 12.2524 37.0269 31.6636 -47.7964 31.6635 6.96349 GPRESSAVG: 181800 -28.6138 11.4607 -47.8883 16.7916 38.6545 33.397 -46.4584 30.3236 7.32588 TIMING: 181800 CPU: 525.683, 0.00287698/step Wall: 525.683, 0.00287698/step, 3.85052 hours remaining, 206.609375 MB of memory in use. ENERGY: 181800 751.1244 2065.0896 1924.5864 113.5497 -206116.8911 17641.6902 0.0000 0.0000 34374.2042 -149246.6466 300.1985 -183620.8508 -149146.7809 298.7476 -218.4060 -185.0179 559928.5741 5.7970 5.7889 PRESSURE: 182000 62.3289 -112.569 -15.6802 -112.567 21.4835 38.2784 -15.6818 38.2785 68.9463 GPRESSURE: 182000 111.984 -96.2353 -52.9366 -93.1478 49.7391 9.0984 -34.0078 -17.6386 89.7996 PRESSAVG: 182000 -38.0632 9.88224 -11.8527 9.88228 -23.0421 29.6566 -11.8528 29.6566 2.63478 GPRESSAVG: 182000 -36.747 10.4026 -12.7114 8.63406 -23.2211 27.5493 -12.4828 29.1995 1.20226 TIMING: 182000 CPU: 526.26, 0.00288848/step Wall: 526.26, 0.00288848/step, 3.86575 hours remaining, 206.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 182000 718.3868 2069.8749 1938.7371 115.1721 -206578.5520 17929.9811 0.0000 0.0000 34378.8581 -149427.5418 300.2391 -183806.3999 -149331.0827 298.6199 50.9195 83.8409 557806.3368 -19.4901 -19.5886 PRESSURE: 182200 -157.43 33.6709 -53.5669 33.6718 -58.6823 -20.3961 -53.5676 -20.3953 13.4079 GPRESSURE: 182200 -102.162 97.883 -26.0978 -21.4112 -5.36435 -37.3559 -45.8641 -88.6574 -7.49912 PRESSAVG: 182200 -8.61281 -31.7594 -1.83124 -31.7594 6.20648 0.303142 -1.83126 0.303125 32.3779 GPRESSAVG: 182200 -9.82701 -30.3561 -0.606688 -32.3209 6.24923 -1.2186 -2.67084 3.43615 33.4442 TIMING: 182200 CPU: 526.837, 0.00288372/step Wall: 526.837, 0.00288372/step, 3.85922 hours remaining, 206.679688 MB of memory in use. ENERGY: 182200 718.3294 2061.0785 1950.7677 109.2564 -206476.3442 17891.7670 0.0000 0.0000 34199.9586 -149545.1866 298.6767 -183745.1452 -149447.8491 298.3574 -67.5682 -38.3419 558847.3612 9.9905 9.9555 PRESSURE: 182400 -7.8436 -110.756 -154.47 -110.755 104.731 -99.6588 -154.47 -99.6587 -108.726 GPRESSURE: 182400 32.1474 -137.701 -85.7966 -48.869 121.574 -134.646 -158.863 -116.563 -74.6652 PRESSAVG: 182400 -94.5959 -3.05527 -23.2809 -3.05537 14.8716 -26.267 -23.2809 -26.2669 69.0012 GPRESSAVG: 182400 -95.1703 -6.24566 -23.8185 -3.03662 15.0629 -23.984 -22.9377 -28.0044 69.5492 TIMING: 182400 CPU: 527.413, 0.0028813/step Wall: 527.413, 0.0028813/step, 3.85583 hours remaining, 206.679688 MB of memory in use. ENERGY: 182400 769.5288 2089.7510 1936.0697 114.1686 -206363.7748 17872.0467 0.0000 0.0000 33981.6298 -149600.5801 296.7700 -183582.2099 -149510.8040 297.8960 -3.9461 26.3522 557057.3658 -3.5743 -3.5194 PRESSURE: 182600 -156.413 -86.1082 -23.9483 -86.1079 -219.08 98.1005 -23.9478 98.0999 -350.807 GPRESSURE: 182600 -113.792 -124.18 -12.297 -64.3817 -167.552 162.444 -65.8376 75.7765 -338.803 PRESSAVG: 182600 -63.1361 -51.4819 17.4956 -51.482 34.015 -19.3867 17.4957 -19.3866 54.1266 GPRESSAVG: 182600 -61.4744 -48.8363 17.9055 -52.7404 32.4188 -19.9306 16.4676 -18.724 53.0327 TIMING: 182600 CPU: 527.985, 0.00285725/step Wall: 527.985, 0.00285725/step, 3.82348 hours remaining, 206.679688 MB of memory in use. ENERGY: 182600 776.7525 2020.9876 1940.1121 91.0940 -205797.0358 17326.1782 0.0000 0.0000 34139.8096 -149502.1018 298.1514 -183641.9114 -149402.1167 298.9524 -242.1000 -206.7156 558275.6400 8.3352 7.9924 PRESSURE: 182800 -135.701 59.0308 -18.6041 59.0318 150.846 90.0857 -18.6042 90.0847 -121.394 GPRESSURE: 182800 -158.096 105.647 -78.2148 -115.178 263.292 160.399 -49.7322 -10.7392 -102.192 PRESSAVG: 182800 -20.8715 20.7496 31.1249 20.7496 -21.9211 69.3718 31.1248 69.3717 18.1091 GPRESSAVG: 182800 -22.082 20.1973 31.4705 22.1714 -22.1005 69.193 32.49 69.2172 19.31 TIMING: 182800 CPU: 528.56, 0.00287797/step Wall: 528.56, 0.00287797/step, 3.85105 hours remaining, 206.679688 MB of memory in use. ENERGY: 182800 760.0696 2085.3512 1927.7581 111.7348 -206694.8777 17923.6049 0.0000 0.0000 34327.9090 -149558.4501 299.7942 -183886.3591 -149462.9429 298.8580 -35.4164 1.0014 557075.3380 -8.2278 -8.2908 PRESSURE: 183000 59.2953 101.795 -42.0686 101.796 48.6446 0.740169 -42.068 0.741119 -228.685 GPRESSURE: 183000 52.6282 178.365 -32.2441 34.0232 69.7661 23.4846 -19.5671 34.8721 -142.451 PRESSAVG: 183000 15.4102 72.3325 -33.6975 72.3326 43.6514 24.829 -33.6974 24.8292 -38.205 GPRESSAVG: 183000 15.7714 71.6721 -33.8935 71.7584 45.0792 24.7819 -35.2197 24.9383 -39.48 TIMING: 183000 CPU: 529.134, 0.00286873/step Wall: 529.134, 0.00286873/step, 3.83852 hours remaining, 206.679688 MB of memory in use. ENERGY: 183000 762.8393 2070.8718 1915.3757 109.8070 -206369.0797 17781.5629 0.0000 0.0000 34074.2519 -149654.3712 297.5789 -183728.6231 -149554.6054 298.4608 -40.2483 -6.6856 556966.0357 6.9522 7.1235 PRESSURE: 183200 238.717 -55.8119 -81.8979 -55.812 306.607 72.2424 -81.8987 72.2427 -116.343 GPRESSURE: 183200 317.566 61.2877 -99.0893 -118.655 295.747 64.9371 -78.0191 44.0567 -91.2166 PRESSAVG: 183200 -35.4767 33.413 -16.8618 33.4131 -6.43832 74.0658 -16.8618 74.0658 49.0527 GPRESSAVG: 183200 -35.2547 33.7334 -16.7253 32.8663 -8.02757 73.4088 -16.9592 73.5015 50.2439 TIMING: 183200 CPU: 529.708, 0.00286942/step Wall: 529.708, 0.00286942/step, 3.83928 hours remaining, 206.679688 MB of memory in use. ENERGY: 183200 730.3483 2056.6267 1981.7528 125.5590 -206741.3074 18075.1039 0.0000 0.0000 34119.4153 -149652.5014 297.9733 -183771.9167 -149552.2860 297.8699 142.9940 174.0321 555436.4336 2.3792 2.3205 PRESSURE: 183400 -270.933 -16.7674 58.8242 -16.7674 147.701 -44.2648 58.8241 -44.2657 -28.1047 GPRESSURE: 183400 -252.669 -80.6804 81.553 23.7584 149.622 24.8569 97.3276 -80.9724 44.7405 PRESSAVG: 183400 -37.0664 -44.0362 21.3343 -44.0363 16.4495 8.72445 21.3343 8.72449 47.2127 GPRESSAVG: 183400 -38.1394 -42.1536 21.4259 -44.8183 17.119 9.78706 21.6121 9.4544 47.4588 TIMING: 183400 CPU: 530.28, 0.00285777/step Wall: 530.28, 0.00285777/step, 3.82354 hours remaining, 206.679688 MB of memory in use. ENERGY: 183400 722.2073 2109.3059 1962.7780 126.9099 -206399.3038 17622.6042 0.0000 0.0000 34221.8989 -149633.5994 298.8684 -183855.4984 -149534.0718 297.7135 -50.4458 -19.4355 555739.3175 8.8653 8.8128 PRESSURE: 183600 1.52702 -92.1399 -44.0009 -92.1401 -49.0137 82.4226 -43.9986 82.4239 -43.3801 GPRESSURE: 183600 -39.7651 -154.456 33.8347 -84.9872 18.4482 128.423 -65.548 -18.1029 19.5346 PRESSAVG: 183600 79.0379 60.8142 -4.98535 60.8143 6.82868 -8.285 -4.98548 -8.285 -55.7214 GPRESSAVG: 183600 78.0829 59.6799 -3.91089 62.6755 7.88035 -7.60786 -4.25332 -10.3442 -55.9187 TIMING: 183600 CPU: 530.853, 0.00286562/step Wall: 530.853, 0.00286562/step, 3.83388 hours remaining, 206.679688 MB of memory in use. ENERGY: 183600 759.4318 2142.3023 1923.1107 109.9454 -206227.3902 17697.1585 0.0000 0.0000 33948.1286 -149647.3128 296.4775 -183595.4415 -149563.4574 298.0382 -30.2889 -0.5941 556272.0547 10.0484 10.0149 PRESSURE: 183800 -46.7524 140.344 -39.3713 140.342 -23.4014 -74.5269 -39.3725 -74.5266 229.081 GPRESSURE: 183800 -54.2131 190.2 34.251 194.997 64.8254 -84.3411 -125.112 -66.0649 232.951 PRESSAVG: 183800 -46.7523 41.7028 -54.7541 41.7027 8.82539 -41.3653 -54.754 -41.3653 24.6998 GPRESSAVG: 183800 -46.3443 40.6868 -56.9808 42.2375 8.27706 -43.1745 -56.3126 -37.1636 24.4238 TIMING: 183800 CPU: 531.429, 0.00287949/step Wall: 531.429, 0.00287949/step, 3.85228 hours remaining, 206.679688 MB of memory in use. ENERGY: 183800 685.4016 2154.4980 1971.8332 122.6016 -206375.1398 17755.3322 0.0000 0.0000 34102.3315 -149583.1417 297.8241 -183685.4732 -149487.6383 298.0394 52.9756 81.1878 555635.6824 -4.4091 -4.5478 PRESSURE: 184000 -100.779 -39.1063 -59.8015 -39.1058 -139.561 -198.954 -59.8006 -198.953 -373.506 GPRESSURE: 184000 -76.6351 -154.658 10.9937 82.3542 -149.419 -115.082 -40.4261 -257.959 -291.885 PRESSAVG: 184000 0.717519 45.8776 -90.5506 45.8776 -0.907302 -5.48009 -90.5505 -5.4801 -24.3261 GPRESSAVG: 184000 0.343346 43.7287 -91.0103 47.9817 -1.27045 -4.43048 -88.2087 -8.35759 -23.6788 TIMING: 184000 CPU: 532.008, 0.00289452/step Wall: 532.008, 0.00289452/step, 3.87222 hours remaining, 206.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 184000 711.3380 2156.0243 1928.1009 122.0770 -205917.6665 17371.4631 0.0000 0.0000 34214.4959 -149414.1673 298.8037 -183628.6632 -149324.3276 298.9074 -204.6155 -172.6463 556428.3208 -8.1720 -8.2020 PRESSURE: 184200 34.7435 37.5694 -15.0394 37.5692 -127.574 29.2193 -15.0403 29.2209 -170.731 GPRESSURE: 184200 74.041 -69.1903 5.09082 69.651 -89.0114 39.9975 -96.1148 76.4261 -158.626 PRESSAVG: 184200 24.9591 -25.1383 -12.7173 -25.1383 79.5421 -14.9781 -12.7172 -14.978 -147.345 GPRESSAVG: 184200 26.8883 -23.1652 -13.2313 -25.7063 78.7565 -12.8826 -13.3506 -15.0566 -148.911 TIMING: 184200 CPU: 532.587, 0.00289504/step Wall: 532.587, 0.00289504/step, 3.87276 hours remaining, 206.679688 MB of memory in use. ENERGY: 184200 740.3819 2106.5422 1939.0284 112.0089 -206148.5885 17543.6141 0.0000 0.0000 34384.2637 -149322.7493 300.2863 -183707.0130 -149231.4571 298.8387 -87.8539 -57.8655 555810.2036 -14.2812 -14.4221 LDB: ============= START OF LOAD BALANCING ============== 535.971 LDB: ============== END OF LOAD BALANCING =============== 535.972 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 535.973 LDB: ============= START OF LOAD BALANCING ============== 536.262 LDB: Largest compute 4820 load 0.024575 is 20.8% of average load 0.117898 LDB: Average compute 0.001709 is 1.4% of average load 0.117898 LDB: TIME 536.265 LOAD: AVG 0.117898 MAX 0.177418 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.535 MB LDB: TIME 536.265 LOAD: AVG 0.117898 MAX 0.177418 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.598 MB LDB: TIME 536.266 LOAD: AVG 0.117898 MAX 0.177418 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 536.268 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 536.272 PRESSURE: 184400 137.214 69.4225 -82.1149 69.4237 12.8998 -34.2763 -82.1151 -34.2746 -11.4539 GPRESSURE: 184400 163.905 62.8117 -116.942 -12.6497 90.4838 -77.7399 -103.029 45.3185 -15.581 PRESSAVG: 184400 56.0282 10.4084 21.2358 10.4083 -7.06816 1.07566 21.2358 1.0758 11.9762 GPRESSAVG: 184400 54.8206 11.3526 22.2145 8.39815 -6.57098 -1.18551 20.9138 2.18435 12.8941 TIMING: 184400 CPU: 533.176, 0.00294783/step Wall: 533.176, 0.00294783/step, 3.94321 hours remaining, 203.832031 MB of memory in use. ENERGY: 184400 747.6569 2130.5496 1946.2069 102.1969 -206251.4096 17875.7897 0.0000 0.0000 34174.6336 -149274.3759 298.4556 -183449.0095 -149175.2885 299.0456 46.2201 79.6025 556728.5741 20.3121 20.3812 PRESSURE: 184600 107.946 10.427 -63.581 10.4266 -42.9186 135.402 -63.5809 135.403 163.882 GPRESSURE: 184600 132.069 11.7304 -25.2385 -21.8243 -22.5472 200.877 -25.5019 101.995 205.944 PRESSAVG: 184600 -34.3227 22.192 22.4127 22.192 -22.5712 -21.5281 22.4127 -21.528 -24.0549 GPRESSAVG: 184600 -34.9612 21.9709 21.492 22.0464 -21.5756 -20.1353 24.2447 -21.2645 -24.2843 TIMING: 184600 CPU: 533.755, 0.00289206/step Wall: 533.755, 0.00289206/step, 3.86845 hours remaining, 203.832031 MB of memory in use. ENERGY: 184600 718.4116 2113.3016 1940.3647 116.0788 -206186.3525 17762.9947 0.0000 0.0000 34283.9194 -149251.2818 299.4100 -183535.2012 -149147.6457 298.7728 76.3032 105.1553 557305.3483 -26.9830 -26.9404 PRESSURE: 184800 -152.64 14.6381 110.552 14.6381 166.591 -166.283 110.554 -166.283 124.068 GPRESSURE: 184800 -122.131 32.2671 119.823 -37.2733 231.621 -104.329 90.4643 -151.909 119.082 PRESSAVG: 184800 -2.69505 -2.72408 2.7843 -2.72403 -19.2483 17.865 2.78441 17.865 47.6316 GPRESSAVG: 184800 -1.2251 -4.27957 3.91328 -2.43759 -20.6325 17.758 1.42688 17.8035 47.8049 TIMING: 184800 CPU: 534.334, 0.00289582/step Wall: 534.334, 0.00289582/step, 3.87332 hours remaining, 203.832031 MB of memory in use. ENERGY: 184800 732.8762 2081.0951 1968.2219 108.7280 -206289.2507 17877.4680 0.0000 0.0000 34363.1207 -149157.7409 300.1017 -183520.8616 -149066.3033 299.4660 46.0061 76.1907 557597.5228 8.5628 8.6491 PRESSURE: 185000 10.3263 -152.505 153.339 -152.504 -5.34414 121.92 153.339 121.92 -64.6585 GPRESSURE: 185000 77.9869 -175.701 62.9935 -142.064 17.5872 113.961 68.3973 119.581 -44.7969 PRESSAVG: 185000 12.9308 -21.6816 38.6363 -21.6816 27.1391 45.7113 38.6363 45.7113 -11.3151 GPRESSAVG: 185000 11.9371 -19.0342 40.7297 -22.8929 27.3419 45.0159 36.4254 45.3102 -11.1518 TIMING: 185000 CPU: 534.912, 0.00289171/step Wall: 534.912, 0.00289171/step, 3.86767 hours remaining, 203.832031 MB of memory in use. ENERGY: 185000 746.5274 2096.3453 1935.7016 107.0894 -206191.2237 17865.3770 0.0000 0.0000 34213.5064 -149226.6767 298.7951 -183440.1830 -149132.9683 299.8701 -19.8921 16.9258 558218.4534 9.5850 9.3757 PRESSURE: 185200 -161.389 -176.821 -195.66 -176.822 70.16 14.255 -195.659 14.2549 16.7261 GPRESSURE: 185200 -139.799 -173.699 -306.262 -198.764 86.985 68.7685 -102.877 -54.9264 76.9164 PRESSAVG: 185200 -20.9623 0.437979 -60.8786 0.437993 46.0559 32.8984 -60.8786 32.8984 -17.6244 GPRESSAVG: 185200 -20.6788 -2.96329 -61.7455 2.15394 45.1448 33.0108 -62.4898 32.4717 -17.23 TIMING: 185200 CPU: 535.486, 0.00287131/step Wall: 535.486, 0.00287131/step, 3.84022 hours remaining, 203.832031 MB of memory in use. ENERGY: 185200 767.2829 2122.3645 1950.8187 133.9297 -206347.1362 17860.2312 0.0000 0.0000 34331.3089 -149181.2002 299.8239 -183512.5091 -149079.6205 300.1618 -24.8343 8.0341 557473.1052 2.4897 2.4120 PRESSURE: 185400 -404.83 -40.1659 77.0022 -40.1656 65.9914 105.565 77.0003 105.566 -438.103 GPRESSURE: 185400 -328.342 -119.201 65.6642 115.088 49.5386 171.825 110.172 98.0587 -385.591 PRESSAVG: 185400 -45.9774 -26.7571 -6.65807 -26.757 21.9783 27.958 -6.65806 27.958 14.2441 GPRESSAVG: 185400 -45.2967 -25.3253 -8.34201 -26.7015 23.5658 27.1207 -2.92827 29.3535 12.7398 TIMING: 185400 CPU: 536.064, 0.00288916/step Wall: 536.064, 0.00288916/step, 3.86393 hours remaining, 203.832031 MB of memory in use. ENERGY: 185400 761.5868 2109.6301 1953.6700 118.9474 -206229.3192 17675.2954 0.0000 0.0000 34404.9332 -149205.2563 300.4668 -183610.1895 -149114.5941 299.6870 -258.9804 -221.4648 558379.0099 -3.2517 -2.9970 PRESSURE: 185600 -260.889 -41.5954 -37.5072 -41.5955 -280.039 -154.555 -37.5084 -154.555 -207.453 GPRESSURE: 185600 -238.567 26.7952 -70.1641 -69.5352 -227.51 -21.7065 -5.83819 -181.315 -176.809 PRESSAVG: 185600 10.9469 -54.9046 -27.7166 -54.9047 -51.9753 19.6815 -27.7164 19.6815 65.5416 GPRESSAVG: 185600 9.82017 -54.4545 -29.8123 -56.4247 -52.2749 19.3804 -26.3111 18.9403 66.6042 TIMING: 185600 CPU: 536.641, 0.00288389/step Wall: 536.641, 0.00288389/step, 3.85672 hours remaining, 203.832031 MB of memory in use. ENERGY: 185600 750.5486 2105.8309 1956.8504 116.2478 -206016.9573 17534.5140 0.0000 0.0000 34146.6965 -149406.2690 298.2116 -183552.9656 -149309.0934 299.4647 -249.4601 -214.2954 557573.4512 8.1710 8.0498 PRESSURE: 185800 -561.33 16.9387 7.80901 16.9397 -233.403 140.284 7.80975 140.284 -197.895 GPRESSURE: 185800 -532.272 -5.93123 57.4643 94.2101 -186.555 100.788 -27.4971 158.964 -178.904 PRESSAVG: 185800 -13.1558 -31.1 -25.2089 -31.0999 3.5619 -19.0908 -25.2089 -19.0908 -8.87691 GPRESSAVG: 185800 -13.789 -29.4444 -21.0456 -29.0998 3.24324 -17.4377 -26.4671 -18.9579 -8.22835 TIMING: 185800 CPU: 537.218, 0.00288611/step Wall: 537.218, 0.00288611/step, 3.85954 hours remaining, 203.832031 MB of memory in use. ENERGY: 185800 766.0955 2089.1685 1940.5047 108.7142 -206011.0684 17429.3380 0.0000 0.0000 34380.8537 -149296.3938 300.2565 -183677.2475 -149202.6208 298.7525 -330.8759 -299.2437 558150.3869 -6.1569 -6.2580 PRESSURE: 186000 -203.327 -0.236322 -11.346 -0.235749 -233.003 14.8846 -11.3468 14.8842 -367.337 GPRESSURE: 186000 -191.579 31.4959 -49.2136 -5.11851 -198.972 -41.0058 16.2998 56.6518 -320.716 PRESSAVG: 186000 -29.5849 -25.0338 -37.8773 -25.0338 -1.22388 24.0801 -37.8774 24.08 35.6645 GPRESSAVG: 186000 -28.6229 -25.2192 -38.8206 -26.5127 -1.02212 23.0444 -38.3706 22.1908 34.7443 TIMING: 186000 CPU: 537.797, 0.00289571/step Wall: 537.797, 0.00289571/step, 3.87221 hours remaining, 203.832031 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: 186000 752.6813 2090.5801 1924.1730 113.7378 -206079.2743 17572.6507 0.0000 0.0000 34246.7536 -149378.6976 299.0854 -183625.4512 -149286.7317 299.2142 -267.8888 -237.0890 558848.1401 1.6186 1.6998 PRESSURE: 186200 -11.6174 -14.1977 91.503 -14.1978 -116.787 39.1102 91.5025 39.1083 -230.695 GPRESSURE: 186200 2.3467 16.1836 113.642 -18.7322 -77.7721 87.1249 82.8771 9.00835 -180.97 PRESSAVG: 186200 8.97519 38.0437 -51.8063 38.0437 -9.2531 -35.9613 -51.8063 -35.9613 10.1925 GPRESSAVG: 186200 8.96615 39.3404 -50.3391 38.3916 -9.30845 -36.539 -53.1624 -33.7463 10.2116 TIMING: 186200 CPU: 538.372, 0.00287396/step Wall: 538.372, 0.00287396/step, 3.84297 hours remaining, 203.832031 MB of memory in use. ENERGY: 186200 763.3435 2107.1145 1965.6887 117.6762 -206049.6172 17711.0770 0.0000 0.0000 34258.1666 -149126.5507 299.1851 -183384.7173 -149032.2868 298.9915 -119.6997 -85.4652 558294.9953 3.3049 3.2898 PRESSURE: 186400 -98.8005 -123.14 -91.3159 -123.14 22.4358 -72.4854 -91.3148 -72.4856 -169.727 GPRESSURE: 186400 -84.1768 -28.9441 -86.3273 -225.144 68.1199 -150.451 -86.1021 -64.1374 -123.939 PRESSAVG: 186400 -34.565 6.56597 -20.5138 6.56596 5.88527 -68.1303 -20.5139 -68.1304 10.1252 GPRESSAVG: 186400 -35.1208 4.40507 -22.7303 6.65247 7.04362 -68.5738 -17.5988 -68.7612 9.40684 TIMING: 186400 CPU: 538.944, 0.0028617/step Wall: 538.944, 0.0028617/step, 3.82641 hours remaining, 203.832031 MB of memory in use. ENERGY: 186400 746.6858 2164.0858 1952.2977 115.1387 -205906.0340 17678.1043 0.0000 0.0000 34135.8538 -149113.8678 298.1169 -183249.7216 -149018.5322 298.9096 -82.0306 -46.6654 557803.6600 -6.1849 -6.2234 PRESSURE: 186600 92.3772 -74.1927 53.0843 -74.1937 340.868 -51.5071 53.0853 -51.5084 -40.8422 GPRESSURE: 186600 127.686 -85.7767 245.403 -90.6912 376.671 -16.9138 -23.5644 -50.1053 -3.38245 PRESSAVG: 186600 -38.0584 14.3356 -9.38246 14.3356 46.2466 -5.01124 -9.38243 -5.0112 -28.1476 GPRESSAVG: 186600 -37.9777 14.7207 -7.80124 15.4724 45.3396 -4.91308 -12.3382 -4.20747 -27.245 TIMING: 186600 CPU: 539.519, 0.00287513/step Wall: 539.519, 0.00287514/step, 3.84422 hours remaining, 203.832031 MB of memory in use. ENERGY: 186600 734.9529 2102.9252 1958.1663 126.9630 -206355.9568 17965.3516 0.0000 0.0000 34282.6503 -149184.9476 299.3989 -183467.5979 -149088.5503 299.1555 130.8008 166.9915 555314.6186 -6.6531 -6.6277 PRESSURE: 186800 -229.601 -47.8074 -68.3251 -47.8083 203.566 95.7344 -68.3264 95.7343 -220.167 GPRESSURE: 186800 -186.274 32.8197 -87.2199 -56.5194 241.764 61.276 -48.9927 89.1614 -200.406 PRESSAVG: 186800 -9.67414 24.7616 2.62964 24.7615 79.6876 14.0037 2.62969 14.0038 -47.3019 GPRESSAVG: 186800 -10.4564 23.9578 3.19924 24.8611 80.0521 14.7712 2.29293 12.7062 -46.4609 TIMING: 186800 CPU: 540.093, 0.00286844/step Wall: 540.093, 0.00286845/step, 3.83511 hours remaining, 203.832031 MB of memory in use. ENERGY: 186800 720.6011 2089.7941 1997.6853 120.6490 -206349.2563 17807.6464 0.0000 0.0000 34334.3176 -149278.5630 299.8501 -183612.8805 -149187.4257 298.7985 -82.0673 -48.3055 557073.5135 7.5705 7.7116 PRESSURE: 187000 -146.711 -62.2572 56.1558 -62.2579 14.8078 -44.4278 56.1558 -44.4272 13.8919 GPRESSURE: 187000 -100.486 -23.8763 -61.3 -35.9425 44.1883 -37.9476 53.7151 -91.8104 40.2029 PRESSAVG: 187000 -33.7187 -38.5479 -37.3796 -38.5479 86.9876 33.5745 -37.3796 33.5746 -15.0991 GPRESSAVG: 187000 -32.2985 -37.3744 -42.9325 -39.0066 86.2409 33.0797 -35.5605 34.5004 -15.376 TIMING: 187000 CPU: 540.667, 0.00287125/step Wall: 540.667, 0.00287125/step, 3.83871 hours remaining, 203.832031 MB of memory in use. ENERGY: 187000 761.8727 2092.6863 1944.5732 113.9297 -206330.1051 17869.5316 0.0000 0.0000 34286.2295 -149261.2822 299.4302 -183547.5117 -149171.7117 299.3707 -39.3369 -5.3651 556878.9796 12.7233 12.8554 PRESSURE: 187200 124.125 16.6574 -148.649 16.6551 -34.6089 70.5183 -148.649 70.5181 -88.9719 GPRESSURE: 187200 154.872 -23.014 -151.366 34.1348 -13.4973 3.37884 -196.327 186.707 -58.4472 PRESSAVG: 187200 -13.0058 43.191 -33.0563 43.1911 60.729 22.2638 -33.0563 22.2638 -45.682 GPRESSAVG: 187200 -11.9123 41.657 -29.4898 41.9122 59.9952 23.8774 -35.0586 21.5385 -46.3254 TIMING: 187200 CPU: 541.238, 0.00285533/step Wall: 541.238, 0.00285533/step, 3.81726 hours remaining, 203.832031 MB of memory in use. ENERGY: 187200 729.6794 2099.2783 1942.2713 117.6337 -206239.7347 17837.4635 0.0000 0.0000 34238.2798 -149275.1287 299.0114 -183513.4084 -149174.3466 299.4391 0.1814 27.6426 557104.0869 0.6804 0.5858 PRESSURE: 187400 115.002 -26.1485 108.858 -26.1492 -113.422 78.9191 108.858 78.9204 -74.8554 GPRESSURE: 187400 114.414 -22.119 132.986 -9.44616 -69.6748 32.979 146.145 56.8883 -22.8398 PRESSAVG: 187400 6.60143 -19.8536 -79.0225 -19.8536 5.48352 70.274 -79.0223 70.274 1.07967 GPRESSAVG: 187400 5.79054 -17.4104 -77.9055 -18.2854 6.30804 70.1488 -76.6939 68.4253 1.01154 TIMING: 187400 CPU: 541.814, 0.00287895/step Wall: 541.814, 0.00287895/step, 3.84868 hours remaining, 203.832031 MB of memory in use. ENERGY: 187400 745.2957 2052.6543 1945.4191 110.9632 -205823.3988 17625.2858 0.0000 0.0000 34182.8882 -149160.8924 298.5277 -183343.7806 -149065.8740 299.7110 -24.4251 7.2998 558465.6762 4.3882 4.3700 PRESSURE: 187600 -176.544 113.424 -125.49 113.423 -354.509 -134.265 -125.492 -134.266 25.7695 GPRESSURE: 187600 -145.609 177.416 -93.4184 143.229 -331.487 -130.698 -209.577 -112.163 74.0582 PRESSAVG: 187600 71.65 23.5472 -17.0143 23.5472 -59.458 -23.5153 -17.0143 -23.5152 -47.6321 GPRESSAVG: 187600 72.1677 22.0751 -19.066 25.0113 -60.2921 -26.0045 -19.0818 -21.142 -46.9444 TIMING: 187600 CPU: 542.39, 0.00288018/step Wall: 542.39, 0.00288018/step, 3.85016 hours remaining, 203.832031 MB of memory in use. ENERGY: 187600 769.9539 2112.8820 1950.0817 114.7505 -205564.2396 17529.5269 0.0000 0.0000 34134.2433 -148952.8012 298.1028 -183087.0446 -148853.7517 299.5267 -168.4278 -134.3462 557423.7726 -11.8134 -11.6896 PRESSURE: 187800 38.8908 -22.5714 43.7898 -22.5721 -149.777 128.096 43.7909 128.097 -392.578 GPRESSURE: 187800 47.1762 18.9062 47.6685 -123.183 -124.327 150.378 28.4504 63.4318 -320.655 PRESSAVG: 187800 32.2426 4.75422 11.6805 4.75425 -27.1946 -17.3941 11.6805 -17.3941 4.71698 GPRESSAVG: 187800 30.7784 4.8662 12.7285 3.64429 -25.4606 -16.6908 12.4705 -18.0607 4.1996 TIMING: 187800 CPU: 542.965, 0.00287387/step Wall: 542.965, 0.00287387/step, 3.84156 hours remaining, 203.832031 MB of memory in use. ENERGY: 187800 762.8938 2066.1567 1958.8154 110.1950 -205818.8394 17657.7782 0.0000 0.0000 34376.0367 -148886.9637 300.2145 -183263.0003 -148792.2168 300.0921 -167.8215 -132.6021 558232.9524 3.2550 3.1725 PRESSURE: 188000 -41.976 -123.819 -74.2257 -123.819 48.953 -130.398 -74.2258 -130.397 213.248 GPRESSURE: 188000 3.19701 -127.319 0.970963 -130.53 69.0411 -109.248 -160.842 -159.644 252.595 PRESSAVG: 188000 11.9532 -32.6708 32.5255 -32.6708 -27.3115 -18.8921 32.5255 -18.8922 -26.1139 GPRESSAVG: 188000 12.6644 -33.1008 34.2211 -32.0522 -28.4692 -19.5731 29.998 -16.6938 -25.5999 TIMING: 188000 CPU: 543.543, 0.00289009/step Wall: 543.543, 0.00289009/step, 3.86308 hours remaining, 203.832031 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: 188000 771.8525 2062.0942 1950.6917 121.2962 -205949.9925 17775.8190 0.0000 0.0000 34353.4147 -148914.8241 300.0169 -183268.2388 -148820.6799 299.8098 73.4085 108.2776 557338.6106 -13.8241 -13.8016 PRESSURE: 188200 6.84558 -25.2923 -64.122 -25.2916 -174.961 72.5665 -64.1216 72.5666 -100.625 GPRESSURE: 188200 35.5801 11.2616 -66.4371 -21.9585 -145.365 167.826 4.88915 40.8448 -61.8337 PRESSAVG: 188200 -0.750985 -31.0842 -48.7854 -31.0842 20.9555 -20.912 -48.7853 -20.9121 6.88641 GPRESSAVG: 188200 -1.43263 -30.6058 -50.1142 -31.24 22.4295 -19.5522 -44.7257 -21.3102 6.34748 TIMING: 188200 CPU: 544.12, 0.00288274/step Wall: 544.12, 0.00288274/step, 3.85311 hours remaining, 203.832031 MB of memory in use. ENERGY: 188200 744.3298 2128.1992 1979.6286 126.0182 -205767.6075 17637.7699 0.0000 0.0000 34290.4503 -148861.2114 299.4670 -183151.6617 -148760.7117 300.7184 -89.5800 -57.2063 558601.6243 9.0303 9.1148 LDB: ============= START OF LOAD BALANCING ============== 547.501 LDB: ============== END OF LOAD BALANCING =============== 547.501 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 547.503 LDB: ============= START OF LOAD BALANCING ============== 547.792 LDB: Largest compute 4820 load 0.023860 is 20.2% of average load 0.117901 LDB: Average compute 0.001700 is 1.4% of average load 0.117901 LDB: TIME 547.794 LOAD: AVG 0.117901 MAX 0.180284 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 547.794 LOAD: AVG 0.117901 MAX 0.180284 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.949 MB LDB: TIME 547.794 LOAD: AVG 0.117901 MAX 0.180284 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 547.796 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 547.8 PRESSURE: 188400 213.376 -147.987 76.7062 -147.986 -48.0813 -190.459 76.7058 -190.462 79.1973 GPRESSURE: 188400 218.782 -124.713 86.181 -126.873 8.88128 -180.383 18.075 -173.262 116.007 PRESSAVG: 188400 29.8567 -38.36 13.3389 -38.36 -38.2116 -13.5002 13.3388 -13.5002 7.87531 GPRESSAVG: 188400 29.2555 -37.765 14.0781 -39.5597 -37.707 -14.822 11.5431 -13.6456 7.76642 TIMING: 188400 CPU: 544.705, 0.00292552/step Wall: 544.705, 0.00292552/step, 3.91012 hours remaining, 206.394531 MB of memory in use. ENERGY: 188400 712.3550 2016.8275 1945.4627 127.6269 -205814.4137 17794.8188 0.0000 0.0000 34339.9334 -148877.3893 299.8992 -183217.3227 -148781.9878 300.2111 81.4974 114.5568 558547.2312 -0.1599 -0.2284 PRESSURE: 188600 -90.0961 -80.5633 115.284 -80.5641 -153.331 -14.2224 115.286 -14.2224 -304.677 GPRESSURE: 188600 -25.9453 -31.0555 179.339 -87.117 -138.146 18.8649 8.77437 -18.9981 -298.757 PRESSAVG: 188600 -20.7237 -14.9371 -7.85488 -14.9371 21.2796 -48.6052 -7.85481 -48.6053 -21.9972 GPRESSAVG: 188600 -19.1549 -15.7036 -9.98889 -14.7307 20.0744 -49.7258 -6.77416 -49.2043 -22.3579 TIMING: 188600 CPU: 545.28, 0.00287586/step Wall: 545.28, 0.00287586/step, 3.84359 hours remaining, 206.652344 MB of memory in use. ENERGY: 188600 742.2116 2064.6513 1945.5551 107.6486 -205442.1726 17590.4005 0.0000 0.0000 34156.3990 -148835.3066 298.2963 -182991.7055 -148740.4797 300.0161 -182.7014 -154.2827 560062.6397 -7.1471 -7.1461 PRESSURE: 188800 23.1967 -40.8873 48.0413 -40.8864 -34.031 128.803 48.0406 128.803 84.697 GPRESSURE: 188800 59.8577 -44.4539 73.7479 -58.1265 12.2601 169.566 113.78 84.5129 98.62 PRESSAVG: 188800 -38.8143 -17.1243 2.85093 -17.1243 1.00251 20.8212 2.85102 20.8214 7.1946 GPRESSAVG: 188800 -40.0509 -16.4623 4.18683 -16.1778 1.78231 23.8697 1.96538 20.6573 8.23877 TIMING: 188800 CPU: 545.86, 0.00290194/step Wall: 545.86, 0.00290194/step, 3.87829 hours remaining, 206.652344 MB of memory in use. ENERGY: 188800 695.5526 2105.0634 1962.1470 110.9648 -205956.5899 17865.3835 0.0000 0.0000 34306.4230 -148911.0556 299.6065 -183217.4786 -148820.6740 299.7629 24.6209 56.9126 558523.3206 -10.2057 -10.0099 PRESSURE: 189000 -204.776 178.919 203.423 178.918 -348.534 -79.5372 203.423 -79.5363 -82.0244 GPRESSURE: 189000 -167.589 152.44 122.236 205.978 -241.405 -70.1824 298.061 -101.072 -140.743 PRESSAVG: 189000 -48.9897 12.9998 24.1241 12.9998 -3.58545 6.51605 24.124 6.51598 19.9751 GPRESSAVG: 189000 -48.4631 11.67 23.0969 12.8132 -4.38173 5.5094 24.0301 5.6976 19.9835 TIMING: 189000 CPU: 546.441, 0.00290598/step Wall: 546.441, 0.00290598/step, 3.88352 hours remaining, 207.062500 MB of memory in use. ENERGY: 189000 728.6840 2053.2050 1987.8465 117.7404 -205719.8949 17554.9325 0.0000 0.0000 34402.5403 -148874.9462 300.4459 -183277.4865 -148787.2642 300.0624 -211.7781 -183.2455 559491.5346 -10.8667 -10.9538 PRESSURE: 189200 7.16227 -109.385 74.1957 -109.384 369.865 168.166 74.1949 168.165 325.142 GPRESSURE: 189200 40.9914 -114.419 63.5204 -98.9974 377.167 144.785 41.2298 158.914 367.459 PRESSAVG: 189200 5.34942 -6.24728 -41.6851 -6.24729 -51.1917 -18.2645 -41.6851 -18.2645 56.8529 GPRESSAVG: 189200 5.78712 -4.17802 -40.2799 -7.96549 -50.9294 -19.4582 -40.4187 -17.2172 56.0704 TIMING: 189200 CPU: 547.024, 0.00291101/step Wall: 547.024, 0.00291101/step, 3.89008 hours remaining, 207.062500 MB of memory in use. ENERGY: 189200 744.5628 2081.8990 1975.0540 117.0432 -206793.8826 18360.5662 0.0000 0.0000 34493.6611 -149021.0962 301.2417 -183514.7574 -148922.6093 299.6742 234.0565 261.8723 558667.1174 3.6702 3.6427 PRESSURE: 189400 66.5224 204.9 48.8193 204.9 -19.5262 -179.451 48.8197 -179.451 -112.087 GPRESSURE: 189400 49.7808 183.84 184.539 218.055 72.8865 -186.129 24.7719 -234.075 -75.9052 PRESSAVG: 189400 8.76667 -0.395996 51.8776 -0.395974 -8.81901 -4.96534 51.8774 -4.96531 2.08152 GPRESSAVG: 189400 7.67178 -1.5077 50.5939 0.673274 -8.80667 -3.10225 50.5993 -8.11526 2.91096 TIMING: 189400 CPU: 547.605, 0.0029086/step Wall: 547.605, 0.0029086/step, 3.8867 hours remaining, 207.062500 MB of memory in use. ENERGY: 189400 775.4295 2042.9813 1993.6522 99.7105 -205889.5874 17777.1400 0.0000 0.0000 34358.8280 -148841.8459 300.0642 -183200.6739 -148745.0668 299.5234 -21.6968 15.5874 559664.2529 0.6764 0.5920 PRESSURE: 189600 -249.296 -79.5014 -4.38318 -79.5013 -24.3659 81.3525 -4.38295 81.3521 -129.994 GPRESSURE: 189600 -159.941 -54.4717 64.1622 -89.6345 -36.982 82.7509 -3.82836 84.4018 -106.611 PRESSAVG: 189600 6.45323 16.1651 25.5939 16.1651 5.8394 -35.5816 25.5939 -35.5816 -22.3747 GPRESSAVG: 189600 6.79765 14.4051 24.4907 18.1141 5.43278 -35.4567 24.3645 -31.9961 -22.0659 TIMING: 189600 CPU: 548.18, 0.00287109/step Wall: 548.18, 0.00287109/step, 3.83642 hours remaining, 207.062500 MB of memory in use. ENERGY: 189600 767.8184 2095.2068 1935.2246 105.6691 -205673.8136 17439.4748 0.0000 0.0000 34518.8746 -148811.5454 301.4619 -183330.4200 -148709.0251 300.4413 -134.5520 -101.1780 559417.2988 -3.3607 -3.2785 PRESSURE: 189800 210.179 -122.285 15.3384 -122.286 385.226 37.387 15.3395 37.3863 214.812 GPRESSURE: 189800 237.528 -151.422 -58.7697 -160.781 429.115 32.1558 93.0231 -21.3918 236.941 PRESSAVG: 189800 -5.66936 -45.6796 -1.59593 -45.6797 73.4637 -51.7637 -1.59604 -51.7637 -56.4027 GPRESSAVG: 189800 -4.84406 -45.078 0.785825 -48.0283 72.7008 -52.3151 -1.72997 -52.8206 -56.6395 TIMING: 189800 CPU: 548.752, 0.00286206/step Wall: 548.752, 0.00286206/step, 3.82419 hours remaining, 207.062500 MB of memory in use. ENERGY: 189800 731.4291 2093.4321 1928.3140 108.2075 -206372.7841 18183.3993 0.0000 0.0000 34291.5543 -149036.4478 299.4767 -183328.0021 -148938.6846 299.7693 270.0724 301.1947 557529.0852 3.7972 3.7391 PRESSURE: 190000 -84.8281 -135.178 67.6501 -135.179 244.345 -159.658 67.6506 -159.657 147.251 GPRESSURE: 190000 -32.5446 -160.109 58.3415 -138.675 263.947 -126.535 30.8777 -166.873 167.446 PRESSAVG: 190000 13.8525 1.89389 8.15034 1.89391 27.8362 -40.7832 8.15031 -40.7833 -36.5125 GPRESSAVG: 190000 14.2061 3.12131 5.85342 1.98595 28.1981 -42.0197 10.2907 -39.5979 -36.6819 TIMING: 190000 CPU: 549.327, 0.00287528/step Wall: 549.327, 0.00287528/step, 3.8417 hours remaining, 207.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 190000 730.3230 2052.3921 1957.8951 114.6768 -206039.8610 17969.3931 0.0000 0.0000 34334.1723 -148881.0086 299.8489 -183215.1809 -148781.8385 300.2638 102.2560 132.9496 557705.0238 1.7254 1.9074 PRESSURE: 190200 -33.8031 -22.0898 107.255 -22.0897 549.115 -115.394 107.255 -115.394 134.224 GPRESSURE: 190200 -48.7529 -26.5613 94.3205 -54.9977 613.208 -175.465 56.7584 -54.1748 195.14 PRESSAVG: 190200 -82.0826 -1.95386 -5.95881 -1.95387 99.1362 16.0725 -5.95883 16.0726 11.0583 GPRESSAVG: 190200 -82.6316 -0.7917 -5.09503 -4.7052 99.9336 16.6593 -5.7458 16.6777 11.1802 TIMING: 190200 CPU: 549.903, 0.00288067/step Wall: 549.903, 0.00288067/step, 3.84873 hours remaining, 207.062500 MB of memory in use. ENERGY: 190200 736.1131 2091.3665 1947.0298 105.5999 -206505.8251 18056.3707 0.0000 0.0000 34439.9323 -149129.4128 300.7725 -183569.3451 -149037.3657 299.9092 216.5122 253.1984 555531.3066 9.3706 9.4941 PRESSURE: 190400 -7.11858 8.31653 1.18065 8.31595 -197.76 -57.9845 1.18066 -57.984 36.7009 GPRESSURE: 190400 59.4799 46.9548 -40.7657 28.8963 -179.68 12.2023 43.2215 -46.6973 52.0393 PRESSAVG: 190400 -14.7928 5.27812 -7.25598 5.278 -32.2679 6.01441 -7.25603 6.01446 49.536 GPRESSAVG: 190400 -14.3069 5.90136 -7.32163 7.21324 -31.6443 6.81866 -6.99048 3.59914 48.9002 TIMING: 190400 CPU: 550.476, 0.00286407/step Wall: 550.476, 0.00286407/step, 3.8264 hours remaining, 207.062500 MB of memory in use. ENERGY: 190400 740.8587 2064.0458 1933.1138 110.4766 -205774.3921 17696.7047 0.0000 0.0000 34178.4558 -149050.7365 298.4890 -183229.1923 -148954.1064 299.8943 -56.0591 -22.7202 557644.2039 0.8251 0.9830 PRESSURE: 190600 -102.83 -56.442 -67.9792 -56.4418 -112.719 17.84 -67.9788 17.8396 120.298 GPRESSURE: 190600 -127.588 -8.31961 -42.9984 -53.1239 -86.6894 54.8946 -215.07 -3.24428 211.764 PRESSAVG: 190600 -29.3618 -19.8703 -36.477 -19.8703 62.3209 31.2359 -36.477 31.2357 -1.55221 GPRESSAVG: 190600 -29.5377 -20.2644 -35.4108 -19.3809 60.8322 31.9081 -39.386 30.0809 -0.260337 TIMING: 190600 CPU: 551.047, 0.00285559/step Wall: 551.047, 0.00285559/step, 3.81491 hours remaining, 207.062500 MB of memory in use. ENERGY: 190600 789.4552 2121.7291 1918.7459 119.2711 -205821.2504 17711.3449 0.0000 0.0000 34138.3718 -149022.3323 298.1389 -183160.7041 -148934.5612 299.9092 -31.7502 -0.8377 558665.5573 10.4690 10.3447 PRESSURE: 190800 36.7154 -72.805 -77.2798 -72.8036 173.952 101.315 -77.2805 101.315 178.038 GPRESSURE: 190800 97.7386 -42.8547 -147.454 -63.9978 198.518 111.125 4.45001 16.1766 183.824 PRESSAVG: 190800 4.5172 -11.0507 -38.4912 -11.0507 26.9343 -16.1096 -38.4912 -16.1096 -21.5195 GPRESSAVG: 190800 4.43959 -10.9863 -38.993 -12.6951 27.4728 -17.0915 -36.7152 -15.3002 -22.2319 TIMING: 190800 CPU: 551.618, 0.0028534/step Wall: 551.618, 0.0028534/step, 3.81182 hours remaining, 207.062500 MB of memory in use. ENERGY: 190800 744.8427 2116.0430 1936.7314 116.1970 -206320.3993 18100.8079 0.0000 0.0000 34284.7629 -149021.0145 299.4174 -183305.7774 -148928.5700 299.9781 129.5684 160.0267 558094.6625 3.3107 3.2268 PRESSURE: 191000 -63.0541 78.2855 80.509 78.2854 -3.28889 154.774 80.5093 154.775 -116.51 GPRESSURE: 191000 -94.373 41.3119 130.263 117.543 51.7694 138.234 45.8347 75.3496 -43.6848 PRESSAVG: 191000 -56.2676 10.6049 5.30763 10.6048 29.5491 67.5481 5.30769 67.5481 -28.2507 GPRESSAVG: 191000 -55.6713 9.44016 4.51502 12.9334 28.845 66.4257 5.70945 70.2711 -27.9367 TIMING: 191000 CPU: 552.187, 0.00284625/step Wall: 552.187, 0.00284625/step, 3.80212 hours remaining, 207.062500 MB of memory in use. ENERGY: 191000 753.0387 2073.6350 1936.5152 112.0631 -206370.7203 17908.5774 0.0000 0.0000 34191.8350 -149395.0560 298.6058 -183586.8910 -149293.6107 299.2174 -60.9511 -28.7628 558646.8689 -18.3231 -18.2543 PRESSURE: 191200 -166.59 -56.106 -124.251 -56.1056 116.114 -2.69745 -124.25 -2.69751 225.766 GPRESSURE: 191200 -98.7276 -24.5573 -51.2135 -55.2833 147.21 -4.6795 -93.6905 17.8969 215.997 PRESSAVG: 191200 -44.4287 44.3132 -13.61 44.3131 42.7188 51.255 -13.6099 51.2549 -0.182198 GPRESSAVG: 191200 -44.9605 46.3187 -13.3241 42.1321 44.2555 51.7578 -13.155 49.9971 -1.39816 TIMING: 191200 CPU: 552.759, 0.00285977/step Wall: 552.759, 0.00285977/step, 3.82002 hours remaining, 207.062500 MB of memory in use. ENERGY: 191200 746.1185 2108.8311 1973.9259 115.4225 -206680.7135 17992.8831 0.0000 0.0000 34113.0562 -149630.4761 297.9178 -183743.5323 -149531.8942 298.1549 58.4298 88.1598 556947.7436 -0.6307 -0.7010 PRESSURE: 191400 -39.3649 -1.84347 121.265 -1.84497 -62.7012 171.943 121.264 171.944 32.6142 GPRESSURE: 191400 28.0417 -12.4663 116.881 -48.9905 -42.4932 46.5987 87.8551 265.031 34.6851 PRESSAVG: 191400 -57.0807 -26.0167 14.2833 -26.0167 13.3164 -4.87044 14.2833 -4.87051 11.4986 GPRESSAVG: 191400 -57.1999 -28.1168 14.4316 -25.377 12.1808 -6.00891 12.6958 -4.68218 12.4185 TIMING: 191400 CPU: 553.333, 0.00287114/step Wall: 553.333, 0.00287114/step, 3.83505 hours remaining, 207.062500 MB of memory in use. ENERGY: 191400 710.7055 2105.4925 1956.7183 117.1477 -206522.3635 17937.3421 0.0000 0.0000 34210.9053 -149484.0522 298.7723 -183694.9574 -149394.2407 297.9077 -23.1506 6.7445 556438.7681 -10.7552 -10.8669 PRESSURE: 191600 -55.083 77.5461 -101.26 77.5458 -274.633 47.0621 -101.26 47.0612 408.278 GPRESSURE: 191600 51.0446 108.819 -94.3025 18.7004 -231.601 102.733 -40.3092 -28.5999 359.083 PRESSAVG: 191600 -11.5843 8.84234 -85.7881 8.84237 25.8048 -24.5711 -85.7882 -24.5711 6.62764 GPRESSAVG: 191600 -12.3632 9.34493 -85.7011 7.05237 25.9858 -23.0455 -84.1275 -25.4204 6.68723 TIMING: 191600 CPU: 553.908, 0.00287483/step Wall: 553.908, 0.00287483/step, 3.83981 hours remaining, 207.062500 MB of memory in use. ENERGY: 191600 759.0112 2147.1434 1948.3214 107.2130 -206667.4714 17970.4414 0.0000 0.0000 34289.0773 -149446.2638 299.4550 -183735.3411 -149349.0377 298.9931 26.1874 59.5090 555930.4054 6.9494 6.7700 PRESSURE: 191800 -304.225 142.376 -71.7821 142.377 -158.887 6.31351 -71.783 6.31405 -79.4265 GPRESSURE: 191800 -253.038 69.3521 -3.79251 199.125 -164.095 44.1994 -142.652 39.9636 -23.2024 PRESSAVG: 191800 51.6854 -0.937367 -14.2001 -0.937365 51.1059 27.5808 -14.2001 27.5806 -51.7072 GPRESSAVG: 191800 51.3177 -4.08859 -13.5734 3.29312 50.714 27.1134 -15.8141 27.2972 -51.3133 TIMING: 191800 CPU: 554.482, 0.0028684/step Wall: 554.482, 0.0028684/step, 3.83106 hours remaining, 207.062500 MB of memory in use. ENERGY: 191800 769.6996 2105.2768 1983.4193 115.1124 -206070.1509 17611.4744 0.0000 0.0000 34133.5172 -149351.6512 298.0965 -183485.1684 -149258.8569 299.1091 -180.8460 -146.7785 557406.9446 17.0281 16.9061 PRESSURE: 192000 -146.819 -46.339 86.5627 -46.3392 71.4688 -68.8601 86.5634 -68.8605 -148.456 GPRESSURE: 192000 -134.852 -55.0273 71.3601 -84.3147 124.743 -99.0142 67.321 -158.4 -121.879 PRESSAVG: 192000 -9.84997 -21.9089 15.4608 -21.9088 -17.1375 1.39415 15.4608 1.39416 10.545 GPRESSAVG: 192000 -10.7942 -17.565 14.3548 -24.3697 -17.2253 1.05978 16.5344 1.74183 11.326 TIMING: 192000 CPU: 555.057, 0.00287326/step Wall: 555.057, 0.00287326/step, 3.8374 hours remaining, 207.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 192000 749.4929 2109.6090 1952.5190 109.9848 -206482.3757 17853.5794 0.0000 0.0000 34318.6379 -149388.5527 299.7132 -183707.1906 -149288.1943 299.4532 -74.6022 -43.9959 557487.3468 -5.4808 -5.5645 PRESSURE: 192200 -232.626 -115.58 82.4606 -115.579 -49.3629 -83.6385 82.46 -83.6395 -195.602 GPRESSURE: 192200 -197.635 -110.224 135.128 -79.7093 -11.1386 -97.7763 115.973 -5.07353 -172.74 PRESSAVG: 192200 20.7439 -15.7785 57.118 -15.7784 71.1207 2.3079 57.118 2.30798 -74.289 GPRESSAVG: 192200 21.2734 -17.7679 54.2418 -16.3648 72.2913 4.73395 59.339 1.65243 -75.8209 TIMING: 192200 CPU: 555.636, 0.00289729/step Wall: 555.636, 0.00289729/step, 3.86933 hours remaining, 207.062500 MB of memory in use. ENERGY: 192200 794.0943 2053.7918 1943.9573 107.0254 -205875.6624 17529.3918 0.0000 0.0000 34040.5300 -149406.8717 297.2844 -183447.4017 -149310.5021 298.7079 -159.1971 -127.1709 556964.4485 5.8585 5.9146 LDB: ============= START OF LOAD BALANCING ============== 559.022 LDB: ============== END OF LOAD BALANCING =============== 559.022 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 559.024 LDB: ============= START OF LOAD BALANCING ============== 559.313 LDB: Largest compute 4820 load 0.023194 is 19.7% of average load 0.117845 LDB: Average compute 0.001706 is 1.4% of average load 0.117845 LDB: TIME 559.316 LOAD: AVG 0.117845 MAX 0.180583 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.277 MB LDB: TIME 559.316 LOAD: AVG 0.117845 MAX 0.180583 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.289 MB LDB: TIME 559.316 LOAD: AVG 0.117845 MAX 0.180583 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 559.318 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 559.322 PRESSURE: 192400 109.901 -104.65 119.344 -104.651 44.7045 31.299 119.345 31.2984 164.15 GPRESSURE: 192400 176.505 -182.056 71.5192 -39.9718 53.3563 21.4128 119.713 -12.4243 175.069 PRESSAVG: 192400 -9.71691 -45.3422 34.8189 -45.3423 -20.2837 -51.3992 34.8189 -51.3993 -1.81 GPRESSAVG: 192400 -10.2152 -45.9328 37.7607 -46.9405 -20.7382 -54.9362 31.1846 -49.6521 -0.685673 TIMING: 192400 CPU: 556.226, 0.00295205/step Wall: 556.226, 0.00295205/step, 3.9423 hours remaining, 204.355469 MB of memory in use. ENERGY: 192400 739.7993 2060.7366 1957.6147 116.5284 -206685.8583 17988.3535 0.0000 0.0000 34415.4906 -149407.3352 300.5590 -183822.8258 -149306.5853 299.0739 106.2518 134.9765 557103.2638 -10.6035 -10.5464 PRESSURE: 192600 279.556 9.20552 34.5408 9.20629 347.775 -63.9683 34.5413 -63.9675 228.746 GPRESSURE: 192600 303.831 52.0948 16.8533 -50.569 360.946 -82.2129 -14.8214 -39.1329 291.261 PRESSAVG: 192600 30.035 -64.7727 0.714579 -64.7727 15.1126 9.6617 0.714646 9.66172 -31.8734 GPRESSAVG: 192600 30.2131 -64.0789 0.654648 -63.293 13.9085 10.5389 -0.307176 8.1631 -30.671 TIMING: 192600 CPU: 556.804, 0.00288657/step Wall: 556.804, 0.00288657/step, 3.85469 hours remaining, 204.558594 MB of memory in use. ENERGY: 192600 734.3125 2079.8823 1946.9260 124.0601 -206326.3756 18010.7642 0.0000 0.0000 34012.6622 -149417.7684 297.0410 -183430.4306 -149317.5406 298.8740 285.3593 318.6791 554503.2398 4.4247 4.4835 PRESSURE: 192800 -250.063 109.118 212.541 109.12 -97.1462 32.2079 212.543 32.2069 -126.973 GPRESSURE: 192800 -191.176 178.782 204.326 145.336 -99.3516 15.4363 162.279 47.2659 -78.5659 PRESSAVG: 192800 4.7038 5.93668 27.4999 5.93663 -25.0245 43.3529 27.4999 43.3529 15.2313 GPRESSAVG: 192800 4.91873 5.78473 27.0326 7.30446 -22.6595 45.0289 30.4289 43.1664 13.4188 TIMING: 192800 CPU: 557.379, 0.00287463/step Wall: 557.379, 0.00287463/step, 3.83859 hours remaining, 204.558594 MB of memory in use. ENERGY: 192800 756.8271 2084.7257 1963.6501 113.6928 -206285.2643 17751.2699 0.0000 0.0000 34320.0955 -149295.0031 299.7259 -183615.0986 -149194.1281 298.4589 -158.0607 -123.0312 557259.7519 -1.6965 -1.4406 PRESSURE: 193000 152.191 -53.2805 141.807 -53.2798 -118.816 -24.4078 141.807 -24.4049 309.754 GPRESSURE: 193000 162.219 -54.814 132.788 -71.1133 -65.5704 -7.51672 118.182 -22.3645 347.381 PRESSAVG: 193000 2.02949 -1.11647 11.2103 -1.11633 -23.0174 -72.3206 11.2105 -72.3204 49.967 GPRESSAVG: 193000 3.13693 -2.06801 11.3656 -2.68051 -25.1919 -71.9602 10.17 -72.7939 50.0852 TIMING: 193000 CPU: 557.951, 0.00286129/step Wall: 557.951, 0.00286129/step, 3.82062 hours remaining, 204.558594 MB of memory in use. ENERGY: 193000 754.7761 2110.1631 1961.8063 109.7685 -206270.9437 17859.3403 0.0000 0.0000 34423.0751 -149052.0143 300.6253 -183475.0895 -148953.2615 299.4822 114.3763 148.0100 556150.6664 9.6597 9.3434 PRESSURE: 193200 72.8777 -50.3612 4.82596 -50.3611 190.515 52.9636 4.8261 52.9637 172.663 GPRESSURE: 193200 167.613 -48.9417 -38.1294 -72.4207 207.098 70.6437 -27.7123 -14.1642 153.269 PRESSAVG: 193200 19.5344 -8.61962 0.624365 -8.61966 37.9203 -6.70239 0.624428 -6.70242 -19.4149 GPRESSAVG: 193200 18.3257 -8.36297 -0.358575 -7.84297 38.3757 -9.21723 0.636665 -5.65757 -18.8687 TIMING: 193200 CPU: 558.526, 0.00287588/step Wall: 558.526, 0.00287588/step, 3.83994 hours remaining, 204.558594 MB of memory in use. ENERGY: 193200 767.0544 2065.4331 1968.3590 111.8143 -206018.5018 18015.1874 0.0000 0.0000 34037.6844 -149052.9692 297.2596 -183090.6536 -148960.7521 299.4643 145.3520 175.9933 556969.0661 12.6799 12.6109 PRESSURE: 193400 138.16 37.7981 -96.6383 37.7991 -21.9588 -157.481 -96.6382 -157.482 229.277 GPRESSURE: 193400 166.721 64.3355 -178.01 -18.2765 75.227 -152.24 -18.9857 -240.174 210.461 PRESSAVG: 193400 39.6849 -31.5707 -4.27211 -31.5706 15.1761 -36.981 -4.27213 -36.9809 -43.4917 GPRESSAVG: 193400 39.5254 -30.7259 -4.94789 -32.574 15.6515 -36.804 -4.92894 -35.725 -44.4579 TIMING: 193400 CPU: 559.101, 0.00287281/step Wall: 559.101, 0.00287281/step, 3.83568 hours remaining, 204.558594 MB of memory in use. ENERGY: 193400 717.4181 2061.7835 1968.6335 117.7685 -206331.5411 18064.3048 0.0000 0.0000 34265.2334 -149136.3993 299.2468 -183401.6327 -149040.8512 299.8031 115.1596 150.8030 558053.4648 3.7897 3.5730 PRESSURE: 193600 -72.9687 -100.26 -60.7909 -100.261 31.5672 -69.6494 -60.7911 -69.6489 95.2135 GPRESSURE: 193600 -13.5425 -109.574 -102.621 -110.872 96.2377 26.0399 -66.5526 -201.335 55.9287 PRESSAVG: 193600 19.9849 -44.6783 6.16611 -44.6782 18.5326 -50.9179 6.16603 -50.9179 -30.0744 GPRESSAVG: 193600 20.7511 -45.3442 6.88231 -45.0641 18.1425 -49.8729 7.26377 -53.4655 -30.7297 TIMING: 193600 CPU: 559.672, 0.00285729/step Wall: 559.672, 0.00285729/step, 3.81479 hours remaining, 204.558594 MB of memory in use. ENERGY: 193600 769.7542 2101.1740 1951.4816 133.8419 -206441.9279 17899.2823 0.0000 0.0000 34401.7817 -149184.6121 300.4393 -183586.3938 -149078.6339 299.4229 17.9373 46.2080 558824.2200 2.8144 2.7213 PRESSURE: 193800 -21.9723 175.43 43.4134 175.43 -217.025 -37.4584 43.4137 -37.4576 -329.676 GPRESSURE: 193800 15.9314 145.311 125.138 160.011 -183.429 -9.96797 33.9967 -35.0907 -299.55 PRESSAVG: 193800 72.3815 0.385346 18.9038 0.38526 -13.9087 -57.4562 18.9039 -57.4563 -19.8044 GPRESSAVG: 193800 72.1758 1.29106 18.57 0.784814 -14.1173 -58.004 19.0995 -57.3433 -19.6673 TIMING: 193800 CPU: 560.244, 0.00286088/step Wall: 560.244, 0.00286088/step, 3.81943 hours remaining, 204.558594 MB of memory in use. ENERGY: 193800 737.8786 2126.3913 1928.9082 121.7438 -206107.3900 17604.9355 0.0000 0.0000 34363.9576 -149223.5750 300.1090 -183587.5326 -149135.7192 299.4782 -189.5578 -155.6826 558192.6007 12.8894 12.7971 PRESSURE: 194000 -29.6122 -37.5048 -207.977 -37.5028 -112.492 -50.4779 -207.977 -50.4762 59.2672 GPRESSURE: 194000 36.938 -34.2678 -183.925 -70.4199 -99.4793 -10.8586 -270.824 -46.9238 76.0452 PRESSAVG: 194000 -5.45706 -6.49676 -37.1589 -6.49668 22.0633 0.408408 -37.1588 0.408253 -9.2273 GPRESSAVG: 194000 -6.05597 -8.48701 -36.2282 -5.51198 21.9092 1.03911 -36.8988 2.87343 -8.46516 TIMING: 194000 CPU: 560.817, 0.002863/step Wall: 560.817, 0.002863/step, 3.8221 hours remaining, 204.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 194000 747.5404 2043.1549 1940.0900 112.2280 -206106.4308 17857.9646 0.0000 0.0000 34307.7591 -149097.6939 299.6182 -183405.4530 -149003.8937 299.3791 -27.6122 4.5013 557484.6708 2.4596 2.4627 PRESSURE: 194200 -35.5555 122.194 100.321 122.194 -48.1759 91.4228 100.32 91.4231 -16.6309 GPRESSURE: 194200 14.8047 36.186 116.68 111.14 -54.9754 59.0944 65.6038 145.902 19.1463 PRESSAVG: 194200 -1.48557 41.1244 19.6749 41.1243 -18.7193 18.3941 19.675 18.3941 -4.99591 GPRESSAVG: 194200 -1.13621 43.4246 20.0116 39.5524 -19.3636 18.441 19.0104 16.0831 -4.572 TIMING: 194200 CPU: 561.391, 0.00287078/step Wall: 561.391, 0.00287078/step, 3.83234 hours remaining, 204.558594 MB of memory in use. ENERGY: 194200 755.9833 2084.8158 1938.2129 103.4006 -205690.1308 17663.4053 0.0000 0.0000 34228.2315 -148916.0814 298.9237 -183144.3129 -148810.9565 300.4317 -33.4541 -7.0082 558121.9181 -8.4003 -8.3573 PRESSURE: 194400 160.624 30.597 69.1429 30.5959 511.292 29.7385 69.1431 29.7386 97.6451 GPRESSURE: 194400 191.243 29.0843 70.0978 71.4572 474.767 51.1282 13.2102 74.5192 193.724 PRESSAVG: 194400 -21.2937 19.2915 65.319 19.2915 -11.9722 -30.1357 65.319 -30.1356 52.3102 GPRESSAVG: 194400 -21.1373 18.6117 63.2394 20.9742 -12.2237 -28.7452 65.5298 -29.8817 52.4303 TIMING: 194400 CPU: 561.967, 0.00287905/step Wall: 561.967, 0.00287905/step, 3.84322 hours remaining, 204.558594 MB of memory in use. ENERGY: 194400 771.3092 2077.3241 1984.0423 112.6783 -206329.0832 18173.4530 0.0000 0.0000 34488.4160 -148721.8603 301.1959 -183210.2763 -148633.8832 300.3529 256.5205 286.5779 557047.2537 6.3481 6.3564 PRESSURE: 194600 233.702 -32.7011 -2.52147 -32.7015 16.3273 9.1938 -2.52274 9.19272 -8.55138 GPRESSURE: 194600 213.079 -22.3453 8.32457 -88.2462 103.08 -55.0087 -23.0419 38.6692 38.1333 PRESSAVG: 194600 4.69628 -40.5721 18.5635 -40.5721 44.9807 21.4142 18.5635 21.4142 37.012 GPRESSAVG: 194600 3.94842 -43.1709 17.0364 -39.7437 46.191 20.1742 18.2525 20.7026 37.1842 TIMING: 194600 CPU: 562.539, 0.00286022/step Wall: 562.539, 0.00286022/step, 3.81791 hours remaining, 204.558594 MB of memory in use. ENERGY: 194600 772.7001 2050.5944 1982.9853 118.8706 -206231.3467 17993.6366 0.0000 0.0000 34366.5629 -148945.9968 300.1317 -183312.5597 -148846.7391 301.3305 80.4925 118.0973 556798.5529 28.8963 29.1079 PRESSURE: 194800 -78.5213 -130.76 75.4782 -130.761 38.0968 13.4773 75.4773 13.4773 115.598 GPRESSURE: 194800 23.258 -166.1 115.824 -64.1528 21.4384 39.0129 116.18 10.4915 123.548 PRESSAVG: 194800 63.7711 -15.6118 -31.7223 -15.6118 21.1346 -5.19259 -31.7223 -5.19256 -33.4245 GPRESSAVG: 194800 64.2564 -14.1732 -29.8785 -18.5319 20.6522 -5.11212 -31.6141 -4.0729 -33.5389 TIMING: 194800 CPU: 563.113, 0.00287263/step Wall: 563.113, 0.00287263/step, 3.83433 hours remaining, 204.558594 MB of memory in use. ENERGY: 194800 728.9513 2076.1773 1950.3841 127.9222 -206234.4005 17915.9039 0.0000 0.0000 34494.9392 -148940.1225 301.2529 -183435.0617 -148844.3787 300.0460 25.0577 56.0816 558366.7683 17.1604 17.1232 PRESSURE: 195000 -84.7395 23.6085 7.35656 23.6086 220.994 -50.1528 7.35757 -50.1519 272.317 GPRESSURE: 195000 -0.41319 50.465 32.4417 3.76372 287.185 70.4734 3.26063 -69.7163 226.696 PRESSAVG: 195000 -33.851 -0.850146 3.36882 -0.85008 2.20707 -15.3779 3.36874 -15.378 26.9019 GPRESSAVG: 195000 -34.4688 0.0513749 2.79058 -0.93956 2.47964 -15.3569 3.19473 -15.8586 26.9264 TIMING: 195000 CPU: 563.685, 0.00286035/step Wall: 563.685, 0.00286036/step, 3.81778 hours remaining, 204.558594 MB of memory in use. ENERGY: 195000 738.7525 2059.6818 1972.9798 106.7722 -206391.3205 18141.8587 0.0000 0.0000 34383.4041 -148987.8715 300.2788 -183371.2756 -148901.5567 300.3508 136.1906 171.1558 558904.4074 -1.5807 -1.6876 PRESSURE: 195200 175.247 -30.756 -1.03024 -30.755 -97.0774 -71.9207 -1.03047 -71.9209 104.691 GPRESSURE: 195200 129.974 -59.6446 46.1249 10.3943 -81.6258 -64.2291 -103.766 -58.3605 232.816 PRESSAVG: 195200 -9.24007 35.4165 24.8171 35.4165 46.8449 -33.2474 24.817 -33.2474 1.11173 GPRESSAVG: 195200 -8.91576 34.4182 25.7217 36.4747 47.4079 -31.5943 26.6156 -34.6571 -0.0219039 TIMING: 195200 CPU: 564.259, 0.00286556/step Wall: 564.259, 0.00286556/step, 3.82457 hours remaining, 204.652344 MB of memory in use. ENERGY: 195200 747.7906 2085.6888 1963.2842 135.1649 -206230.1682 17919.4240 0.0000 0.0000 34461.5318 -148917.2840 300.9611 -183378.8158 -148823.7268 299.6503 60.9537 93.7212 558912.8995 12.9055 12.8234 PRESSURE: 195400 56.6901 -142.829 -86.3536 -142.828 64.6779 123.037 -86.3532 123.037 118.929 GPRESSURE: 195400 104.974 -78.1727 -126.923 -130.394 71.5843 90.0366 -106.138 97.2154 158.929 PRESSAVG: 195400 -61.8771 -11.2005 11.2509 -11.2006 -0.495984 7.37827 11.2509 7.37845 14.0732 GPRESSAVG: 195400 -62.4225 -10.8204 10.744 -11.8927 -0.976805 5.94542 10.3864 7.5689 14.7647 TIMING: 195400 CPU: 564.832, 0.00286802/step Wall: 564.832, 0.00286802/step, 3.82769 hours remaining, 204.652344 MB of memory in use. ENERGY: 195400 729.1102 2073.1455 1975.0530 109.4400 -206002.9776 17882.7397 0.0000 0.0000 34402.7120 -148830.7772 300.4474 -183233.4893 -148735.3712 299.1907 80.0989 111.8292 558719.0790 -16.1000 -16.2115 PRESSURE: 195600 99.5118 79.522 125.575 79.5221 -11.7246 -133.681 125.575 -133.681 -128.036 GPRESSURE: 195600 35.0357 7.99142 68.2821 89.8924 68.7368 -54.5454 160.249 -46.6041 -39.7793 PRESSAVG: 195600 -17.9934 14.2808 -3.99079 14.2807 -29.3154 11.9679 -3.99076 11.968 46.6003 GPRESSAVG: 195600 -17.1605 14.572 -4.70913 13.3779 -30.1072 12.1193 -4.46988 13.5174 46.2322 TIMING: 195600 CPU: 565.405, 0.0028661/step Wall: 565.405, 0.0028661/step, 3.82497 hours remaining, 204.652344 MB of memory in use. ENERGY: 195600 737.2220 2095.5498 1961.3987 130.5544 -205991.0688 17846.1066 0.0000 0.0000 34289.0672 -148931.1700 299.4550 -183220.2372 -148833.4342 300.2311 -13.4161 21.3311 557817.1290 -0.2361 -0.3452 PRESSURE: 195800 290.78 76.4499 -68.8575 76.4502 186.673 -194.306 -68.8567 -194.306 316.323 GPRESSURE: 195800 379.823 83.4425 -3.51316 163.619 212.92 -180.776 -44.5078 -172.05 313.065 PRESSAVG: 195800 -6.374 -6.13434 15.0749 -6.13423 -23.5593 -11.1962 15.075 -11.1962 27.1294 GPRESSAVG: 195800 -7.60543 -5.14744 15.0905 -6.57921 -23.7544 -10.5702 14.851 -13.0471 28.6484 TIMING: 195800 CPU: 565.982, 0.00288358/step Wall: 565.982, 0.00288358/step, 3.84813 hours remaining, 204.652344 MB of memory in use. ENERGY: 195800 750.0775 2103.1402 1950.9219 118.3534 -206265.8099 18210.6382 0.0000 0.0000 34352.8228 -148779.8558 300.0117 -183132.6786 -148685.7025 300.5110 264.5920 301.9359 556579.9406 -0.9346 -0.9038 PRESSURE: 196000 -122.668 79.1973 -43.8443 79.1972 -150.19 116.547 -43.8458 116.547 92.2707 GPRESSURE: 196000 -100.786 79.7305 -26.3094 3.12358 -138.019 53.8911 -75.3641 209.559 156.01 PRESSAVG: 196000 66.0746 47.3472 0.029 47.3472 -36.4344 -4.91792 0.0289095 -4.91793 58.5333 GPRESSAVG: 196000 68.4536 46.8573 1.31788 47.9359 -36.5819 -6.83542 -1.36089 -1.24685 56.1035 TIMING: 196000 CPU: 566.56, 0.00288823/step Wall: 566.56, 0.00288822/step, 3.85418 hours remaining, 204.652344 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: 196000 743.0782 2098.4503 1946.4403 102.5791 -205914.5370 17878.2830 0.0000 0.0000 34379.7864 -148765.9198 300.2472 -183145.7062 -148665.0110 300.4683 -60.1957 -27.5985 559814.9719 29.3912 29.3251 PRESSURE: 196200 -212.388 19.2161 137.417 19.2168 18.2947 39.5392 137.416 39.5391 81.885 GPRESSURE: 196200 -111.003 -3.9584 127.87 40.4572 5.02328 65.1494 115.259 54.2466 85.2886 PRESSAVG: 196200 27.0459 3.71492 -39.1239 3.71487 -67.3524 36.3914 -39.124 36.3914 -2.42481 GPRESSAVG: 196200 25.9761 2.23045 -39.0008 4.91273 -67.4726 37.0226 -39.1418 34.1869 -0.637908 TIMING: 196200 CPU: 567.132, 0.00286069/step Wall: 567.132, 0.00286069/step, 3.81728 hours remaining, 204.652344 MB of memory in use. ENERGY: 196200 723.5736 2089.5957 1950.5434 124.1886 -205962.8588 17849.4809 0.0000 0.0000 34260.8084 -148964.6683 299.2082 -183225.4767 -148863.7335 300.1050 -37.4026 -6.8971 558792.4835 -14.2438 -14.0448 LDB: ============= START OF LOAD BALANCING ============== 570.514 LDB: ============== END OF LOAD BALANCING =============== 570.515 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 570.516 LDB: ============= START OF LOAD BALANCING ============== 570.805 LDB: Largest compute 4820 load 0.024154 is 20.5% of average load 0.117926 LDB: Average compute 0.001713 is 1.5% of average load 0.117926 LDB: TIME 570.807 LOAD: AVG 0.117926 MAX 0.178701 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.121 MB LDB: TIME 570.807 LOAD: AVG 0.117926 MAX 0.178701 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.324 MB LDB: TIME 570.807 LOAD: AVG 0.117926 MAX 0.178701 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.324 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 570.809 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 570.813 PRESSURE: 196400 -229.878 121.888 -21.4472 121.888 -1.11337 -84.0231 -21.4476 -84.024 24.6148 GPRESSURE: 196400 -246.44 91.8923 -33.2568 213.742 28.8207 -54.1397 59.8516 -6.7823 105.064 PRESSAVG: 196400 -9.73733 35.0578 -16.2536 35.0579 -61.6607 -29.4174 -16.2536 -29.4175 24.0355 GPRESSAVG: 196400 -10.4539 34.1448 -16.9415 35.6638 -61.7675 -27.9306 -15.6926 -28.4363 24.6181 TIMING: 196400 CPU: 567.717, 0.00292765/step Wall: 567.717, 0.00292765/step, 3.90647 hours remaining, 205.445312 MB of memory in use. ENERGY: 196400 740.5900 2094.8051 1925.8303 112.5151 -205487.3892 17603.0433 0.0000 0.0000 34282.5895 -148728.0158 299.3984 -183010.6054 -148630.8765 299.7911 -68.7921 -37.5185 557742.1749 -15.7875 -15.8677 PRESSURE: 196600 -25.9132 139.165 -26.3721 139.165 -173.895 183.694 -26.3719 183.694 217.443 GPRESSURE: 196600 13.6362 184.082 -26.197 106.51 -106.559 248.424 31.5427 102.973 203.403 PRESSAVG: 196600 -1.98888 46.2482 33.412 46.2481 -29.3716 -34.3111 33.412 -34.3111 49.2432 GPRESSAVG: 196600 -0.899011 49.1386 32.5913 44.6784 -28.9314 -36.4965 32.5357 -34.9298 47.8402 TIMING: 196600 CPU: 568.292, 0.00287065/step Wall: 568.292, 0.00287065/step, 3.83025 hours remaining, 205.445312 MB of memory in use. ENERGY: 196600 781.5889 2037.4084 1966.9443 107.1158 -206096.5889 17931.2015 0.0000 0.0000 34422.2646 -148850.0654 300.6182 -183272.3300 -148759.1897 300.1482 5.8783 36.8266 557499.9977 5.9609 6.0033 PRESSURE: 196800 -151.59 141.951 -47.9484 141.95 -30.1868 -13.6876 -47.9482 -13.6892 143.344 GPRESSURE: 196800 -104.072 143.871 -83.4023 97.5757 -10.2496 -6.41825 -112.17 39.8815 164.585 PRESSAVG: 196800 -3.58573 28.251 31.0503 28.251 -40.7583 49.7183 31.0505 49.7184 86.9688 GPRESSAVG: 196800 -4.92162 26.0435 32.015 27.8837 -40.6263 49.4878 31.0718 49.8822 87.5323 TIMING: 196800 CPU: 568.866, 0.00287191/step Wall: 568.866, 0.00287191/step, 3.83177 hours remaining, 205.445312 MB of memory in use. ENERGY: 196800 741.5536 2066.8088 1954.5390 117.7874 -205781.4653 17558.7852 0.0000 0.0000 34330.7898 -149011.2016 299.8193 -183341.9914 -148915.5213 300.0853 -12.8109 16.7544 557378.1867 14.2083 13.9948 PRESSURE: 197000 -62.6857 145.27 95.9025 145.271 -100.191 -22.9778 95.9031 -22.9775 69.534 GPRESSURE: 197000 -63.9654 94.6869 40.9381 102.012 -59.3601 -45.7599 91.2291 -4.09381 131.371 PRESSAVG: 197000 25.9209 20.5343 -49.5785 20.5343 -97.0372 23.4384 -49.5784 23.4384 63.1743 GPRESSAVG: 197000 26.2224 22.8009 -48.2245 18.4141 -96.0507 23.9625 -51.6739 21.5178 62.1037 TIMING: 197000 CPU: 569.438, 0.00286174/step Wall: 569.438, 0.00286174/step, 3.81804 hours remaining, 205.445312 MB of memory in use. ENERGY: 197000 778.0743 2061.2584 1933.9103 104.7067 -205925.1481 17691.9887 0.0000 0.0000 34139.6886 -149215.5213 298.1504 -183355.2098 -149126.8529 299.2640 -31.1143 2.6819 557654.4113 -2.6473 -2.5749 PRESSURE: 197200 -199.72 56.6011 91.4817 56.6018 -133.687 -103.621 91.4815 -103.621 -20.1101 GPRESSURE: 197200 -109.308 34.3818 49.9191 -23.3313 -113.142 -83.4174 32.5658 -58.582 -28.0401 PRESSAVG: 197200 30.2686 34.6456 -24.5323 34.6455 -18.3389 -34.562 -24.5322 -34.562 -3.51576 GPRESSAVG: 197200 29.7703 33.8591 -25.7396 36.1356 -19.8556 -33.6959 -21.5945 -32.96 -1.5708 TIMING: 197200 CPU: 570.013, 0.00287585/step Wall: 570.013, 0.00287585/step, 3.8367 hours remaining, 205.445312 MB of memory in use. ENERGY: 197200 715.0693 2079.4283 1957.4791 108.2879 -206143.4991 17790.7068 0.0000 0.0000 34136.6515 -149355.8761 298.1239 -183492.5277 -149253.1023 298.1945 -117.8393 -83.4967 559620.0691 2.8047 2.7813 PRESSURE: 197400 222.083 -14.9073 -8.15235 -14.9066 2.80164 -12.4459 -8.15201 -12.446 -131.397 GPRESSURE: 197400 255.688 -16.301 -100.92 -19.8792 52.303 -31.6771 -35.3349 19.3374 -97.9719 PRESSAVG: 197400 33.8954 -42.3449 54.4391 -42.345 47.046 -16.8164 54.4392 -16.8164 -43.5077 GPRESSAVG: 197400 33.6518 -43.2361 54.4805 -40.9818 47.7111 -16.6535 54.0751 -17.9457 -43.6236 TIMING: 197400 CPU: 570.586, 0.00286299/step Wall: 570.586, 0.00286299/step, 3.81939 hours remaining, 205.445312 MB of memory in use. ENERGY: 197400 728.9546 2029.4129 1943.0925 119.8711 -206557.7049 17948.2185 0.0000 0.0000 34301.8815 -149486.2737 299.5669 -183788.1552 -149392.4364 298.7581 31.1627 70.0065 558011.4400 12.4779 12.5798 PRESSURE: 197600 -32.6267 165.72 5.20521 165.721 146.579 150.95 5.20528 150.95 -182.63 GPRESSURE: 197600 31.9429 110.285 -1.3639 154.928 169.463 238.431 36.3722 94.3866 -157.506 PRESSAVG: 197600 4.98953 -36.1739 -7.37278 -36.1739 50.4558 -22.1436 -7.37279 -22.1436 -35.2948 GPRESSAVG: 197600 5.51674 -35.9973 -6.38235 -38.6863 50.8866 -21.7017 -6.57848 -22.0039 -36.3692 TIMING: 197600 CPU: 571.161, 0.00287358/step Wall: 571.161, 0.00287358/step, 3.83335 hours remaining, 205.445312 MB of memory in use. ENERGY: 197600 744.6489 2045.0461 1949.7107 119.2086 -206210.6007 17884.5411 0.0000 0.0000 34003.6845 -149463.7607 296.9626 -183467.4452 -149374.3685 298.3138 -22.8925 14.6333 558408.9589 6.7168 6.6781 PRESSURE: 197800 -176.306 70.2161 145.762 70.2151 -140.569 26.6887 145.762 26.6883 -158.278 GPRESSURE: 197800 -165.221 104.488 120.906 100.891 -118.355 -41.7054 133.075 60.6485 -99.6834 PRESSAVG: 197800 29.7668 25.6192 -15.977 25.6193 -31.6002 -0.356187 -15.9771 -0.356231 12.9771 GPRESSAVG: 197800 30.8218 26.1361 -16.3406 27.4594 -32.6645 0.714959 -17.7015 0.0124731 12.5765 TIMING: 197800 CPU: 571.738, 0.00288635/step Wall: 571.738, 0.00288635/step, 3.85023 hours remaining, 205.445312 MB of memory in use. ENERGY: 197800 764.7949 2100.7570 1948.6134 108.0443 -206481.9789 17865.3075 0.0000 0.0000 34204.3150 -149490.1468 298.7148 -183694.4618 -149389.7639 298.7304 -158.3846 -127.7531 558039.4174 3.7146 3.5779 PRESSURE: 198000 -94.0414 149.737 -3.75297 149.736 -67.5977 -60.4171 -3.7525 -60.4192 -43.976 GPRESSURE: 198000 -82.2649 151.597 103.747 189.261 -17.6021 -98.098 18.1789 4.95144 -5.01922 PRESSAVG: 198000 -30.6549 16.1766 8.51761 16.1767 -11.7046 -12.1191 8.51762 -12.1192 50.7157 GPRESSAVG: 198000 -31.0477 14.6059 9.05225 17.3993 -11.6366 -14.0025 9.54729 -12.1359 51.2717 TIMING: 198000 CPU: 572.317, 0.00289557/step Wall: 572.317, 0.00289557/step, 3.86237 hours remaining, 205.445312 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: 198000 741.0567 2056.7043 1954.8914 101.3389 -206324.0738 17859.2227 0.0000 0.0000 34153.8652 -149456.9946 298.2742 -183610.8598 -149358.3965 299.1653 -68.5384 -34.9621 559002.7170 2.7854 2.8625 PRESSURE: 198200 -217.523 -21.1285 91.9596 -21.1282 -31.3138 -146.386 91.9597 -146.385 186.924 GPRESSURE: 198200 -197.434 -36.7715 -39.0068 -39.3441 -38.2145 -174.023 67.5138 -114.358 265.014 PRESSAVG: 198200 -44.5515 29.7557 9.14153 29.7558 -26.2157 20.949 9.14172 20.949 33.5296 GPRESSAVG: 198200 -45.2871 29.4824 6.91789 29.1056 -24.7871 23.2117 10.3223 21.7081 32.8517 TIMING: 198200 CPU: 572.891, 0.00287113/step Wall: 572.891, 0.00287113/step, 3.82961 hours remaining, 205.445312 MB of memory in use. ENERGY: 198200 754.6302 2059.9030 1974.2083 103.2845 -206587.2947 17924.2576 0.0000 0.0000 34191.1825 -149579.8285 298.6001 -183771.0110 -149477.5532 298.0224 -20.6376 9.7884 557774.8338 -12.4125 -12.4075 PRESSURE: 198400 -160.041 -75.9925 115.988 -75.9939 -62.2463 26.1382 115.987 26.1388 6.9922 GPRESSURE: 198400 -151.163 -69.1847 94.4889 -117.971 -46.1275 -24.7112 28.8571 11.2264 79.1391 PRESSAVG: 198400 -90.0498 -22.5531 58.1416 -22.5531 8.11319 -37.5524 58.1417 -37.5524 57.6596 GPRESSAVG: 198400 -88.9017 -20.9781 58.7822 -22.0651 8.8575 -38.3064 57.0347 -38.6866 56.0735 TIMING: 198400 CPU: 573.466, 0.00287212/step Wall: 573.466, 0.00287212/step, 3.83077 hours remaining, 205.445312 MB of memory in use. ENERGY: 198400 754.1531 1964.1444 1934.4285 119.6817 -206442.6139 17833.2231 0.0000 0.0000 34344.9231 -149492.0600 299.9428 -183836.9831 -149395.4241 297.9723 -71.7649 -39.3839 557895.9441 -8.0923 -7.9902 PRESSURE: 198600 61.5077 29.7778 -12.3445 29.7795 104.633 -3.4958 -12.3447 -3.49501 3.5197 GPRESSURE: 198600 70.8605 141.868 -18.8738 -44.6659 173.991 54.3121 23.4206 -76.7331 14.1247 PRESSAVG: 198600 -64.5911 -11.9585 21.7882 -11.9585 52.0007 -12.5307 21.7881 -12.5306 9.66723 GPRESSAVG: 198600 -65.0779 -13.7581 24.4013 -13.2326 51.6389 -12.4993 20.4988 -11.4529 10.0334 TIMING: 198600 CPU: 574.039, 0.00286805/step Wall: 574.039, 0.00286805/step, 3.82518 hours remaining, 205.445312 MB of memory in use. ENERGY: 198600 744.7865 2068.1951 1949.5814 108.8425 -206720.4036 18070.0658 0.0000 0.0000 34172.8393 -149606.0930 298.4399 -183778.9323 -149512.2153 298.4657 56.5536 86.3256 557535.8607 -0.9744 -1.1352 PRESSURE: 198800 39.3623 -148.033 -40.0585 -148.033 -245.626 36.6127 -40.0576 36.6144 -98.1885 GPRESSURE: 198800 48.2217 -115.829 -49.3037 -140.14 -150.006 -31.5722 37.6472 17.904 -110.652 PRESSAVG: 198800 -2.46426 26.7502 25.6491 26.7502 -0.941793 -6.26967 25.649 -6.26965 51.3403 GPRESSAVG: 198800 -3.09908 27.5199 23.7942 27.5937 -1.93329 -7.88014 28.5341 -5.3082 53.2821 TIMING: 198800 CPU: 574.617, 0.00288872/step Wall: 574.617, 0.00288872/step, 3.8526 hours remaining, 205.445312 MB of memory in use. ENERGY: 198800 732.3799 2065.3809 1911.6750 109.4860 -206395.4648 17784.8586 0.0000 0.0000 34050.4899 -149741.1944 297.3714 -183791.6844 -149644.9012 297.5889 -101.4841 -70.8121 556958.1802 15.9781 16.0832 PRESSURE: 199000 -97.5202 -163.271 -45.5117 -163.271 -54.7604 -116.548 -45.5108 -116.548 -162.766 GPRESSURE: 199000 -133.372 -188.207 -66.2515 -165.538 -11.0618 10.1156 -23.5078 -164.509 -69.2292 PRESSAVG: 199000 22.6375 -9.77004 16.6749 -9.76998 -39.117 -40.5481 16.6748 -40.5481 42.4936 GPRESSAVG: 199000 21.9243 -9.89467 17.6197 -8.67877 -37.5369 -41.3762 14.6119 -41.2182 41.4787 TIMING: 199000 CPU: 575.192, 0.0028731/step Wall: 575.192, 0.0028731/step, 3.83159 hours remaining, 205.445312 MB of memory in use. ENERGY: 199000 776.2910 2066.0401 1937.4533 123.4335 -206596.2575 17808.8675 0.0000 0.0000 34333.6546 -149550.5175 299.8443 -183884.1721 -149457.4121 298.5862 -105.0155 -71.2209 556451.7238 8.6714 8.6220 PRESSURE: 199200 -39.7906 6.76838 106.066 6.76733 -187.743 -48.5573 106.065 -48.5581 77.0937 GPRESSURE: 199200 -24.7271 108.142 42.306 16.121 -150.982 -37.7251 102.797 -72.2553 124.754 PRESSAVG: 199200 -19.2235 7.98317 17.0591 7.98317 52.7838 2.40194 17.0591 2.40193 -4.57329 GPRESSAVG: 199200 -17.5562 8.19736 19.0941 6.25175 50.8292 1.47173 15.0171 2.15128 -4.48143 TIMING: 199200 CPU: 575.767, 0.00287652/step Wall: 575.767, 0.00287652/step, 3.836 hours remaining, 205.445312 MB of memory in use. ENERGY: 199200 741.8952 2077.5096 1951.8445 109.2296 -206343.2656 17838.5375 0.0000 0.0000 34129.0761 -149495.1730 298.0577 -183624.2492 -149401.6947 298.4879 -50.1466 -16.9852 557481.0701 9.6623 9.5972 PRESSURE: 199400 101.183 6.80866 -125.63 6.80893 74.4833 -124.674 -125.629 -124.674 -62.018 GPRESSURE: 199400 151.102 -17.0667 -100.532 26.9093 105.083 -116.574 -190.697 -118.329 -43.516 PRESSAVG: 199400 23.5889 17.3428 -24.4186 17.3427 16.0872 -6.121 -24.4185 -6.12103 -38.0184 GPRESSAVG: 199400 22.4597 17.0622 -24.3785 17.7086 15.9146 -5.78494 -24.2888 -6.49436 -37.1601 TIMING: 199400 CPU: 576.342, 0.00287554/step Wall: 576.342, 0.00287554/step, 3.83453 hours remaining, 205.445312 MB of memory in use. ENERGY: 199400 744.0785 2101.0057 1945.8299 119.9757 -206252.4084 17936.2546 0.0000 0.0000 34112.8943 -149292.3697 297.9164 -183405.2640 -149202.7891 299.0555 37.8829 70.8899 557419.7697 0.5526 0.4047 PRESSURE: 199600 213.312 79.9533 -174.853 79.9533 -85.6089 88.5429 -174.854 88.5412 154.807 GPRESSURE: 199600 212.288 -1.57395 -180.486 64.4875 -34.3546 97.7668 -168.841 183.64 205.094 PRESSAVG: 199600 -84.7347 -7.39231 -36.5219 -7.3923 64.7828 15.3343 -36.5219 15.3345 -22.7495 GPRESSAVG: 199600 -85.0925 -7.59966 -38.9147 -3.93141 66.4014 15.7933 -34.4114 15.7723 -24.1682 TIMING: 199600 CPU: 576.914, 0.00286132/step Wall: 576.914, 0.00286132/step, 3.81541 hours remaining, 205.445312 MB of memory in use. ENERGY: 199600 727.6927 2080.3205 1967.1739 116.9052 -206315.6095 17911.5634 0.0000 0.0000 34199.7837 -149312.1702 298.6752 -183511.9539 -149215.0825 298.0402 94.1700 127.6759 557277.6301 -14.2338 -14.2865 PRESSURE: 199800 -213.219 -133.994 -1.13031 -133.994 3.70249 -197.053 -1.1315 -197.051 16.678 GPRESSURE: 199800 -181.364 -106.376 52.2422 -41.435 42.0954 -250.276 22.3727 -244.152 57.1177 PRESSAVG: 199800 -45.5826 -18.5221 16.1546 -18.5221 -16.7879 -47.7061 16.1546 -47.706 56.5787 GPRESSAVG: 199800 -45.6964 -18.1117 16.8379 -20.403 -17.4222 -46.217 17.4903 -48.6397 57.1032 TIMING: 199800 CPU: 577.489, 0.00287383/step Wall: 577.489, 0.00287383/step, 3.83194 hours remaining, 205.445312 MB of memory in use. ENERGY: 199800 750.0954 2063.2950 1962.6634 108.1508 -206151.9451 17813.3134 0.0000 0.0000 34138.5153 -149315.9118 298.1401 -183454.4271 -149224.2755 298.4318 -64.2796 -27.3838 559656.2719 -1.9306 -2.0052 PRESSURE: 200000 -234.026 67.9801 -18.2466 67.9807 -204.998 57.1545 -18.2458 57.1558 -96.0542 GPRESSURE: 200000 -198.115 -16.4605 34.008 125.918 -180.75 71.8156 -128.497 66.1837 -50.36 PRESSAVG: 200000 -14.8272 -49.1534 15.6176 -49.1534 -81.6406 -14.1005 15.6176 -14.1004 91.2295 GPRESSAVG: 200000 -13.9887 -48.7131 15.2718 -49.3422 -82.4899 -14.469 13.6496 -14.3662 91.7354 TIMING: 200000 CPU: 578.066, 0.0028847/step Wall: 578.066, 0.0028847/step, 3.84626 hours remaining, 205.445312 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: 200000 709.9786 2041.3538 1956.6522 117.6363 -206103.1905 17525.6769 0.0000 0.0000 34270.5192 -149481.3736 299.2930 -183751.8927 -149387.5438 298.0656 -178.3594 -143.0748 557846.0952 -1.7461 -1.5811 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.010 seconds, 205.445 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=200000) takes 0.004 seconds, 205.574 MB of memory in use PRESSURE: 200200 74.2766 -29.4857 -197.371 -29.4866 83.1715 47.9145 -197.371 47.9139 -229.237 GPRESSURE: 200200 30.671 26.5078 -226.949 -10.6744 189.164 115.239 -140.453 -17.6418 -193.557 PRESSAVG: 200200 -23.7519 19.2338 2.09917 19.2338 41.5552 28.5098 2.09918 28.5098 15.4029 GPRESSAVG: 200200 -23.6161 18.8404 1.00242 16.5844 43.4052 28.2029 2.32493 29.1621 13.6052 TIMING: 200200 CPU: 578.659, 0.00296238/step Wall: 578.659, 0.00296238/step, 3.94968 hours remaining, 205.574219 MB of memory in use. ENERGY: 200200 733.1671 2064.7345 1946.0616 117.1296 -206417.1357 17922.3001 0.0000 0.0000 34122.9085 -149510.8342 298.0038 -183633.7427 -149421.0802 298.1756 -23.9295 8.7594 557167.2963 11.0687 11.1314 LDB: ============= START OF LOAD BALANCING ============== 582.044 LDB: ============== END OF LOAD BALANCING =============== 582.044 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 582.046 LDB: ============= START OF LOAD BALANCING ============== 582.335 LDB: Largest compute 4820 load 0.023279 is 19.8% of average load 0.117735 LDB: Average compute 0.001716 is 1.5% of average load 0.117735 LDB: TIME 582.337 LOAD: AVG 0.117735 MAX 0.179125 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.902 MB LDB: TIME 582.338 LOAD: AVG 0.117735 MAX 0.179125 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.926 MB LDB: TIME 582.338 LOAD: AVG 0.117735 MAX 0.179125 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 582.339 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 582.344 PRESSURE: 200400 -151.972 -99.9214 -87.6561 -99.9215 -155.5 81.0855 -87.6546 81.085 -316.558 GPRESSURE: 200400 -135.427 35.0159 -73.8123 -161.743 -134.973 133.292 -105.324 78.532 -258.583 PRESSAVG: 200400 -31.7176 1.76642 3.70055 1.76651 27.5891 18.4762 3.70051 18.4761 24.7236 GPRESSAVG: 200400 -31.1794 1.3398 5.77243 2.75301 26.8733 18.6301 2.9419 20.1225 24.986 TIMING: 200400 CPU: 579.248, 0.00294645/step Wall: 579.248, 0.00294645/step, 3.92827 hours remaining, 204.695312 MB of memory in use. ENERGY: 200400 733.7484 2082.5385 1955.8198 119.3027 -206059.5920 17554.6446 0.0000 0.0000 34069.0525 -149544.4855 297.5335 -183613.5379 -149448.2220 298.5078 -208.0098 -176.3276 558802.5754 6.8651 6.8933 PRESSURE: 200600 -163.269 -33.7506 -104.352 -33.7504 -157.678 10.6834 -104.352 10.683 80.6757 GPRESSURE: 200600 -166.075 22.4352 -90.1359 6.59062 -130.053 -9.91216 -83.2039 -17.3476 145.455 PRESSAVG: 200600 -45.973 25.3929 8.68616 25.3928 69.4092 6.1219 8.68604 6.12198 -38.6913 GPRESSAVG: 200600 -46.6916 26.2498 9.06994 27.5115 69.5112 5.6038 10.2836 4.66806 -38.1538 TIMING: 200600 CPU: 579.82, 0.00286007/step Wall: 579.82, 0.00286007/step, 3.81295 hours remaining, 205.152344 MB of memory in use. ENERGY: 200600 741.5931 2052.2185 1933.8403 126.5221 -206216.6455 17836.1652 0.0000 0.0000 34195.9520 -149330.3543 298.6418 -183526.3063 -149236.0586 298.3788 -80.0906 -50.2243 558973.1699 -5.0850 -5.1114 PRESSURE: 200800 -34.537 19.5429 -56.5162 19.5436 -128.773 -3.46734 -56.5156 -3.46716 -126.37 GPRESSURE: 200800 23.4459 -32.9697 8.90126 128.087 -127.386 -104.389 -170.012 82.3528 -108.266 PRESSAVG: 200800 -45.1285 3.2487 -11.464 3.24877 15.4947 -75.5109 -11.4638 -75.511 33.8558 GPRESSAVG: 200800 -44.8343 3.67066 -10.9984 0.581458 15.2754 -75.6173 -13.6077 -74.3442 34.1208 TIMING: 200800 CPU: 580.392, 0.00286246/step Wall: 580.392, 0.00286246/step, 3.81598 hours remaining, 205.152344 MB of memory in use. ENERGY: 200800 747.1831 2045.9696 1955.3411 122.7990 -206488.6804 17853.2078 0.0000 0.0000 34200.2736 -149563.9063 298.6795 -183764.1798 -149464.5776 298.3700 -96.5600 -70.7355 557504.6283 1.4073 1.5206 PRESSURE: 201000 -82.1523 55.4879 25.2917 55.4879 -126.63 -58.6634 25.2924 -58.6639 91.8795 GPRESSURE: 201000 -22.5839 -30.3752 107.441 130.504 -145.016 -84.5488 12.3234 -48.5042 147.587 PRESSAVG: 201000 21.6954 14.4116 -24.9785 14.4115 -27.8877 -43.155 -24.9786 -43.155 44.8314 GPRESSAVG: 201000 21.9298 12.9217 -25.7469 16.3679 -26.9706 -44.172 -24.5924 -42.5921 44.171 TIMING: 201000 CPU: 580.969, 0.00288511/step Wall: 580.969, 0.00288511/step, 3.84601 hours remaining, 205.152344 MB of memory in use. ENERGY: 201000 735.8481 2086.3490 1967.0797 114.0018 -206376.4969 17911.2631 0.0000 0.0000 34195.3872 -149366.5680 298.6368 -183561.9552 -149277.7950 298.6696 -38.9676 -6.6709 557420.4676 12.8797 13.0434 PRESSURE: 201200 -4.07709 173.139 -39.1918 173.141 -224.037 -55.0574 -39.1923 -55.0584 -23.8574 GPRESSURE: 201200 23.5068 152.126 28.9524 248.663 -107.815 -35.9827 -76.4054 -20.3761 -62.9447 PRESSAVG: 201200 29.4984 28.6001 -43.937 28.6003 -54.7368 -33.2217 -43.937 -33.2217 42.2872 GPRESSAVG: 201200 29.8297 29.5244 -45.049 28.7988 -54.9448 -33.2303 -41.8458 -34.3321 42.1081 TIMING: 201200 CPU: 581.544, 0.0028711/step Wall: 581.544, 0.0028711/step, 3.82718 hours remaining, 205.152344 MB of memory in use. ENERGY: 201200 743.0006 2062.8522 1979.7708 119.8240 -205721.8379 17415.2604 0.0000 0.0000 34138.5418 -149262.5881 298.1404 -183401.1299 -149165.2758 299.0260 -83.9905 -49.0842 557190.1008 5.6829 5.6643 PRESSURE: 201400 -113.831 -69.9024 100.711 -69.9026 -173.497 15.2766 100.71 15.277 15.7319 GPRESSURE: 201400 -120.501 -58.4601 90.937 -85.6417 -96.0236 63.1824 137.848 -45.9506 44.0752 PRESSAVG: 201400 63.4598 -4.42759 31.9918 -4.42766 -68.631 0.837865 31.9919 0.837843 13.7549 GPRESSAVG: 201400 63.4664 -2.98796 30.8375 -4.7009 -68.1986 0.943206 31.2891 0.761221 13.5706 TIMING: 201400 CPU: 582.118, 0.00287127/step Wall: 582.118, 0.00287127/step, 3.82724 hours remaining, 205.152344 MB of memory in use. ENERGY: 201400 767.1455 2080.5252 1979.1156 108.8118 -205613.4221 17505.6281 0.0000 0.0000 34042.3982 -149129.7977 297.3007 -183172.1959 -149033.5530 298.8305 -90.5319 -57.4832 557235.2790 2.8613 2.9461 PRESSURE: 201600 -16.1522 -45.0922 114.639 -45.0926 -232.149 -91.6268 114.64 -91.6268 -109.741 GPRESSURE: 201600 -28.6899 -10.6732 38.8493 38.1925 -179.457 -77.9632 111.869 -46.2664 -59.6041 PRESSAVG: 201600 29.5192 31.2908 -10.9313 31.2908 -100.989 -29.9732 -10.9312 -29.9731 32.3713 GPRESSAVG: 201600 30.0539 30.2902 -8.20484 32.3624 -101.256 -27.6565 -11.5176 -32.1687 31.927 TIMING: 201600 CPU: 582.692, 0.00286974/step Wall: 582.692, 0.00286974/step, 3.82505 hours remaining, 205.152344 MB of memory in use. ENERGY: 201600 765.4531 2086.7077 1942.8808 123.8887 -205576.7516 17442.9232 0.0000 0.0000 34163.4611 -149051.4370 298.3580 -183214.8981 -148951.4811 299.3015 -119.3475 -89.2503 556725.9807 -13.0327 -13.0917 PRESSURE: 201800 113.848 101.173 -55.4044 101.174 13.9568 22.3467 -55.4052 22.3479 -125.445 GPRESSURE: 201800 191.078 98.243 -110.548 79.6315 19.0127 33.9262 -41.0699 -16.3069 -108.977 PRESSAVG: 201800 22.6016 -25.8583 0.0354142 -25.8582 -38.8158 -30.0665 0.0353051 -30.0664 33.9119 GPRESSAVG: 201800 22.5864 -26.8047 -0.919512 -27.1336 -39.89 -33.0302 0.879724 -26.8782 34.8022 TIMING: 201800 CPU: 583.266, 0.00287096/step Wall: 583.266, 0.00287096/step, 3.82652 hours remaining, 205.355469 MB of memory in use. ENERGY: 201800 738.5435 2102.4760 1948.6487 118.0945 -205994.0265 17760.7933 0.0000 0.0000 34218.2805 -149107.1900 298.8368 -183325.4705 -149009.6824 299.5824 0.7867 33.7046 557023.5586 5.8992 5.8329 PRESSURE: 202000 146.917 -56.0106 -27.5981 -56.0114 82.5078 -23.3966 -27.5971 -23.3975 98.6882 GPRESSURE: 202000 152.986 -76.7249 -22.173 2.02243 128.283 -94.353 12.4597 35.0959 142.345 PRESSAVG: 202000 -0.683849 -57.1699 23.3655 -57.17 -64.6296 27.8126 23.3654 27.8127 53.1745 GPRESSAVG: 202000 -0.321724 -55.6775 22.7342 -59.0647 -63.4582 30.0864 22.9346 26.5238 52.2114 TIMING: 202000 CPU: 583.841, 0.00287353/step Wall: 583.841, 0.00287353/step, 3.82977 hours remaining, 205.355469 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: 202000 704.5205 2051.0972 1958.0337 121.7867 -206489.4405 18091.4713 0.0000 0.0000 34350.7168 -149211.8142 299.9934 -183562.5310 -149110.3149 299.3406 109.3711 141.2047 557239.2014 -4.0463 -3.8562 PRESSURE: 202200 -144.053 -114.544 -89.9332 -114.544 -208.938 -50.6786 -89.9317 -50.6783 -109.24 GPRESSURE: 202200 -124.373 -68.1478 -124.799 -97.6226 -157.17 -50.5782 -23.5803 -25.6484 -80.0489 PRESSAVG: 202200 -18.4037 -23.5667 -12.2142 -23.5667 -15.6125 5.24013 -12.2143 5.24004 35.1427 GPRESSAVG: 202200 -18.7321 -25.7623 -13.4359 -20.7352 -15.2745 4.3904 -9.96779 3.1932 35.0627 TIMING: 202200 CPU: 584.412, 0.00285673/step Wall: 584.412, 0.00285673/step, 3.80722 hours remaining, 205.394531 MB of memory in use. ENERGY: 202200 734.3937 2097.4207 1968.3932 98.5281 -205614.5221 17387.1769 0.0000 0.0000 34103.5708 -149225.0387 297.8350 -183328.6095 -149127.0369 299.1723 -154.0769 -120.5308 559098.5002 0.3755 0.3520 PRESSURE: 202400 68.7023 245.749 -111.534 245.747 -66.1117 23.5473 -111.534 23.5476 -28.2868 GPRESSURE: 202400 142.179 256.273 -181.532 166.55 -54.9992 15.0723 -69.7465 6.7727 -20.2943 PRESSAVG: 202400 8.07949 -12.4429 -33.9728 -12.443 15.2931 66.1751 -33.9728 66.175 -11.1365 GPRESSAVG: 202400 9.55914 -12.2514 -34.1819 -10.6749 14.1723 66.7164 -35.5191 66.615 -11.4529 TIMING: 202400 CPU: 584.987, 0.00287254/step Wall: 584.987, 0.00287254/step, 3.82813 hours remaining, 205.394531 MB of memory in use. ENERGY: 202400 720.7047 2062.2610 1940.7554 117.8781 -206095.6104 17765.1278 0.0000 0.0000 34143.2554 -149345.6279 298.1815 -183488.8833 -149249.4102 299.1095 -8.5654 22.2953 557678.2726 4.0787 4.0929 PRESSURE: 202600 214.917 57.7196 153.603 57.72 205.442 33.0476 153.604 33.0454 -130.512 GPRESSURE: 202600 270.085 43.5067 130.284 105.456 138.965 21.9073 146.872 12.5574 -18.4072 PRESSAVG: 202600 66.3273 45.172 -22.8986 45.172 -89.9032 -7.47877 -22.8986 -7.47877 23.3503 GPRESSAVG: 202600 65.4711 45.6057 -20.6829 44.9932 -90.2839 -9.29001 -22.2751 -6.96555 24.3354 TIMING: 202600 CPU: 585.559, 0.0028614/step Wall: 585.559, 0.0028614/step, 3.81313 hours remaining, 205.394531 MB of memory in use. ENERGY: 202600 745.2128 2100.5266 1931.0479 112.7339 -206650.1505 18032.6730 0.0000 0.0000 34162.4860 -149565.4704 298.3495 -183727.9564 -149472.5615 298.6358 96.6153 130.2142 556530.5288 -0.0752 -0.1591 PRESSURE: 202800 -115.842 -148.841 -15.302 -148.842 -221.277 23.1843 -15.3033 23.1847 -548.082 GPRESSURE: 202800 -79.0476 -127.062 -25.2826 -135.43 -131.75 1.56502 -84.4272 3.41873 -579.335 PRESSAVG: 202800 25.1986 20.2131 -11.6237 20.2131 34.3806 27.4836 -11.6237 27.4836 -29.4958 GPRESSAVG: 202800 24.8256 20.3564 -12.8799 17.6847 35.1194 29.4384 -11.2392 25.3526 -30.3573 TIMING: 202800 CPU: 586.136, 0.00288419/step Wall: 586.136, 0.00288419/step, 3.84334 hours remaining, 205.394531 MB of memory in use. ENERGY: 202800 728.5518 2123.4466 1931.8474 117.9298 -205757.0942 17358.5095 0.0000 0.0000 34248.6517 -149248.1575 299.1020 -183496.8092 -149147.8829 299.3460 -295.0670 -263.3775 558486.4104 10.0278 9.8626 PRESSURE: 203000 -24.0632 -24.7863 132.256 -24.7859 -107.203 -45.118 132.256 -45.1185 -274.79 GPRESSURE: 203000 -33.4086 -4.37247 112.292 -71.9588 -55.3334 24.6546 138.213 -31.38 -218.361 PRESSAVG: 203000 13.8088 -18.6389 -9.19386 -18.6388 40.5862 -11.7139 -9.19385 -11.7138 -55.9347 GPRESSAVG: 203000 13.9755 -18.2985 -7.19882 -17.8064 39.9146 -13.7807 -10.6318 -7.9751 -54.7681 TIMING: 203000 CPU: 586.71, 0.00287088/step Wall: 586.71, 0.00287088/step, 3.82545 hours remaining, 205.394531 MB of memory in use. ENERGY: 203000 766.0917 2091.3201 1932.8884 112.9854 -205703.0424 17485.3142 0.0000 0.0000 34268.2064 -149046.2362 299.2728 -183314.4426 -148949.7799 299.2648 -135.3522 -102.3676 559167.5922 -0.5132 -0.2927 PRESSURE: 203200 -28.1623 -51.7151 79.172 -51.7145 233.893 13.1597 79.1715 13.1591 13.7545 GPRESSURE: 203200 38.3774 -113.868 52.6462 21.5686 294.354 37.8345 123.094 34.038 -21.0838 PRESSAVG: 203200 -32.6214 6.89656 24.5148 6.89663 36.5635 -21.1858 24.5148 -21.1858 -30.0544 GPRESSAVG: 203200 -33.0142 5.09868 22.6366 8.47408 36.6495 -20.3491 25.7954 -22.2969 -30.386 TIMING: 203200 CPU: 587.282, 0.00286168/step Wall: 587.282, 0.00286168/step, 3.81302 hours remaining, 205.394531 MB of memory in use. ENERGY: 203200 732.1401 2015.0729 1963.6826 118.4614 -206050.6501 17861.4955 0.0000 0.0000 34328.2432 -149031.5544 299.7971 -183359.7976 -148931.7205 299.5757 73.1618 103.8826 558073.2103 -8.7041 -8.9169 PRESSURE: 203400 131.122 -12.6865 -44.252 -12.6877 18.1346 13.869 -44.2515 13.867 321.335 GPRESSURE: 203400 239.434 -45.0709 30.5533 -33.1801 24.644 -27.7451 -124.866 2.73182 318.849 PRESSAVG: 203400 29.1902 18.6385 23.2584 18.6385 -57.7608 2.49965 23.2585 2.49958 27.7636 GPRESSAVG: 203400 29.3254 20.3018 24.1164 16.4256 -57.2688 2.9961 22.2954 3.68589 27.6611 TIMING: 203400 CPU: 587.862, 0.00289957/step Wall: 587.862, 0.00289957/step, 3.86336 hours remaining, 205.394531 MB of memory in use. ENERGY: 203400 748.5108 2093.2889 1985.8255 109.1237 -206517.7307 17978.9163 0.0000 0.0000 34485.2056 -149116.8599 301.1679 -183602.0655 -149027.2439 300.1911 156.8639 194.3089 556591.0778 -0.2690 -0.0941 PRESSURE: 203600 -75.3375 -1.73464 -284.197 -1.73438 7.68735 113.47 -284.197 113.471 169.187 GPRESSURE: 203600 11.1642 -16.1801 -311.779 -2.0269 61.1175 151.273 -151.04 143.289 129.811 PRESSAVG: 203600 19.5795 -31.794 -14.0292 -31.7939 -35.3269 -36.4964 -14.0293 -36.4964 26.877 GPRESSAVG: 203600 19.3692 -31.1096 -10.999 -30.5952 -35.0432 -37.8762 -15.5268 -36.8744 26.8742 TIMING: 203600 CPU: 588.438, 0.00288083/step Wall: 588.438, 0.00288083/step, 3.83822 hours remaining, 205.394531 MB of memory in use. ENERGY: 203600 749.7278 2041.4293 1923.9071 109.4747 -206242.0369 17705.8287 0.0000 0.0000 34373.4321 -149338.2372 300.1917 -183711.6693 -149239.3100 299.3612 33.8456 67.3641 555862.7992 3.7098 3.7334 PRESSURE: 203800 -128.594 -18.0063 48.3421 -18.0053 -114.048 150.561 48.3404 150.562 -307.193 GPRESSURE: 203800 -77.0863 91.8249 68.0693 -50.8373 -122.691 165.87 -26.0764 168.102 -240.247 PRESSAVG: 203800 43.8866 31.4539 -37.226 31.4539 29.467 2.45254 -37.226 2.45242 -63.5997 GPRESSAVG: 203800 45.2279 31.9069 -41.0668 30.005 28.0603 4.57672 -36.1076 2.0505 -63.2547 TIMING: 203800 CPU: 589.014, 0.00287633/step Wall: 589.014, 0.00287633/step, 3.83208 hours remaining, 205.394531 MB of memory in use. ENERGY: 203800 740.7256 2089.5766 1916.4559 116.8145 -205582.1088 17432.4403 0.0000 0.0000 34271.3077 -149014.7882 299.2999 -183286.0959 -148916.7997 299.2928 -183.2785 -146.6746 557605.3357 3.2513 3.3445 PRESSURE: 204000 -256.607 142.752 -64.2563 142.753 118.795 -3.37398 -64.2559 -3.37559 -73.6409 GPRESSURE: 204000 -191.282 172.601 -64.3008 125.495 120.907 8.66815 -153.062 -37.0513 -31.368 PRESSAVG: 204000 -39.0847 68.9615 38.2679 68.9616 69.7599 9.61758 38.268 9.61752 -31.5349 GPRESSAVG: 204000 -38.6799 66.0253 38.0437 69.963 70.0959 10.3679 39.6437 9.33495 -31.7531 TIMING: 204000 CPU: 589.589, 0.0028789/step Wall: 589.589, 0.0028789/step, 3.83533 hours remaining, 205.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 204000 726.0406 2079.0266 1916.4712 112.1019 -205960.3590 17690.9470 0.0000 0.0000 34395.7232 -149040.0486 300.3864 -183435.7717 -148951.9499 298.9906 -70.4840 -33.9144 557340.9960 -0.2866 -0.1124 PRESSURE: 204200 93.3858 -20.9057 -21.6143 -20.9066 70.6874 2.66757 -21.6149 2.66713 48.0562 GPRESSURE: 204200 147.69 -74.85 40.675 2.22967 114.103 -77.7244 -49.6098 1.95172 39.7506 PRESSAVG: 204200 -4.36076 10.0142 -3.88472 10.0142 93.9032 -48.8173 -3.8847 -48.8172 -38.3925 GPRESSAVG: 204200 -4.73017 10.5298 -3.14812 10.1363 94.0845 -49.3382 -5.86662 -48.4249 -37.8903 TIMING: 204200 CPU: 590.164, 0.00287518/step Wall: 590.164, 0.00287518/step, 3.83022 hours remaining, 205.394531 MB of memory in use. ENERGY: 204200 726.8334 2036.9892 1940.2175 119.1293 -205840.3486 17745.1991 0.0000 0.0000 34244.8779 -149027.1021 299.0690 -183271.9801 -148936.6316 299.8690 70.7098 100.5146 557621.6734 17.0500 17.1547 LDB: ============= START OF LOAD BALANCING ============== 593.549 LDB: ============== END OF LOAD BALANCING =============== 593.549 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 593.551 LDB: ============= START OF LOAD BALANCING ============== 593.838 LDB: Largest compute 4820 load 0.025042 is 21.3% of average load 0.117815 LDB: Average compute 0.001711 is 1.5% of average load 0.117815 LDB: TIME 593.84 LOAD: AVG 0.117815 MAX 0.17745 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.023 MB LDB: TIME 593.84 LOAD: AVG 0.117815 MAX 0.17745 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.023 MB LDB: TIME 593.841 LOAD: AVG 0.117815 MAX 0.17745 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.023 MB LDB: ============== END OF LOAD BALANCING =============== 593.842 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 593.846 PRESSURE: 204400 -96.1561 -178.482 -100.641 -178.481 -49.7967 -50.8323 -100.64 -50.8324 -101.566 GPRESSURE: 204400 -24.8411 -246.774 -188.639 -88.4409 -67.4352 -33.7787 -114.861 -91.724 -73.115 PRESSAVG: 204400 45.5378 -13.2872 14.0786 -13.2871 26.3705 -1.05785 14.0786 -1.05789 -27.0009 GPRESSAVG: 204400 45.6634 -11.9861 15.0326 -14.6756 25.6509 0.535009 13.8049 -3.02391 -26.8486 TIMING: 204400 CPU: 590.75, 0.00292999/step Wall: 590.75, 0.00292999/step, 3.90307 hours remaining, 204.695312 MB of memory in use. ENERGY: 204400 739.7472 2044.8597 1934.1652 110.1470 -205642.8485 17537.7725 0.0000 0.0000 34181.9878 -149094.1691 298.5198 -183276.1570 -148999.9922 299.0055 -82.5063 -55.1304 557427.0339 14.9691 14.8219 PRESSURE: 204600 -195.172 -10.4083 39.9127 -10.408 -395.865 22.4599 39.9113 22.4598 133.275 GPRESSURE: 204600 -205.347 15.5821 73.5926 -41.4162 -285.069 -23.4807 51.6741 -59.4174 132.268 PRESSAVG: 204600 41.3732 3.89892 33.1187 3.89896 -28.7624 -10.0431 33.1187 -10.0432 14.1386 GPRESSAVG: 204600 40.2855 3.33232 32.5465 4.33012 -27.058 -11.0226 33.5233 -9.67362 13.4961 TIMING: 204600 CPU: 591.326, 0.00287647/step Wall: 591.326, 0.00287647/step, 3.83162 hours remaining, 204.765625 MB of memory in use. ENERGY: 204600 763.2294 2111.6672 1927.8812 112.9372 -205874.3451 17763.1814 0.0000 0.0000 34196.7864 -148998.6624 298.6490 -183195.4489 -148902.6373 299.8241 -152.5874 -119.3829 558638.0846 8.9165 8.9079 PRESSURE: 204800 -320.358 -73.0115 24.5886 -73.0118 -260.327 72.8028 24.588 72.8019 157.787 GPRESSURE: 204800 -263.165 -52.7423 1.00918 -33.9546 -271.299 59.2646 44.0879 31.9364 193.995 PRESSAVG: 204800 39.2873 10.5218 7.15621 10.5219 -27.44 5.96504 7.15629 5.96503 4.12457 GPRESSAVG: 204800 40.2755 10.299 7.38159 10.9152 -29.3652 5.05469 6.87187 6.53764 4.45408 TIMING: 204800 CPU: 591.901, 0.00287493/step Wall: 591.901, 0.00287493/step, 3.82941 hours remaining, 204.765625 MB of memory in use. ENERGY: 204800 752.8026 2082.6408 1954.7963 107.1152 -206051.5395 17675.8795 0.0000 0.0000 34388.0834 -149090.2216 300.3197 -183478.3049 -148987.7863 300.7021 -140.9662 -113.4898 558411.9120 5.3240 5.1214 PRESSURE: 205000 57.0009 -22.3772 48.2368 -22.3761 -95.4436 -53.7186 48.2367 -53.7187 63.8838 GPRESSURE: 205000 83.2392 -56.5612 106.199 3.74169 -38.8355 20.1873 -14.9037 -126.647 68.3064 PRESSAVG: 205000 27.3515 -4.80302 -25.657 -4.80292 -24.0562 35.7509 -25.6569 35.7509 5.55563 GPRESSAVG: 205000 26.1917 -6.46639 -25.8569 -4.27736 -23.2917 35.6217 -24.8516 35.7088 5.99857 TIMING: 205000 CPU: 592.474, 0.00286859/step Wall: 592.474, 0.00286859/step, 3.8208 hours remaining, 204.765625 MB of memory in use. ENERGY: 205000 786.5657 2137.6807 1960.5251 111.1815 -206233.6233 17808.1791 0.0000 0.0000 34258.6120 -149170.8792 299.1890 -183429.4912 -149076.7455 299.9398 8.4804 37.5700 556925.7916 2.9503 2.9662 PRESSURE: 205200 -99.0151 -91.4435 -22.7182 -91.4438 36.1927 7.00304 -22.7171 7.00448 -142.193 GPRESSURE: 205200 -46.2143 -65.8346 -36.8257 -96.6696 60.8172 72.3134 -24.6579 -13.4569 -126.118 PRESSAVG: 205200 -15.5283 -3.48035 -72.4989 -3.48032 -1.36944 13.4381 -72.4989 13.4381 40.7531 GPRESSAVG: 205200 -15.1146 -1.49291 -72.0313 -3.55058 -0.922149 13.6168 -71.1657 14.4558 39.3491 TIMING: 205200 CPU: 593.05, 0.00287578/step Wall: 593.05, 0.00287578/step, 3.83022 hours remaining, 204.765625 MB of memory in use. ENERGY: 205200 762.8265 2058.0850 1950.6235 115.7441 -206259.2348 17794.9434 0.0000 0.0000 34201.7967 -149375.2156 298.6928 -183577.0123 -149279.2943 299.3862 -68.3385 -37.1718 556818.1675 7.9518 7.7708 PRESSURE: 205400 285.534 -51.3667 -1.29596 -51.3673 -64.1867 -46.3156 -1.29488 -46.3161 -44.8289 GPRESSURE: 205400 304.275 -23.2805 29.3746 -83.9738 -16.2976 -17.6933 6.03632 -18.0781 -8.17817 PRESSAVG: 205400 0.561937 27.8093 -9.02299 27.8093 -6.57804 -1.43199 -9.02308 -1.4319 -30.6336 GPRESSAVG: 205400 0.502163 28.1897 -9.7071 26.0223 -6.33635 -0.364126 -11.0862 -1.24021 -31.0103 TIMING: 205400 CPU: 593.627, 0.0028893/step Wall: 593.627, 0.0028893/step, 3.84807 hours remaining, 204.765625 MB of memory in use. ENERGY: 205400 733.0555 2056.1906 1931.9766 100.9606 -206136.3100 17744.2006 0.0000 0.0000 34202.9628 -149366.9633 298.7030 -183569.9260 -149265.7742 298.9621 58.8394 93.2665 556030.2942 -12.2166 -12.2815 PRESSURE: 205600 82.8168 -13.1531 238.79 -13.154 269.537 -38.1557 238.79 -38.1556 42.7686 GPRESSURE: 205600 151.322 21.5859 258.309 -59.3259 220.493 -61.4347 214.924 -43.5748 116.935 PRESSAVG: 205600 21.8694 -5.91568 1.73693 -5.91564 -24.1955 -24.8352 1.737 -24.8352 37.3605 GPRESSAVG: 205600 20.6256 -7.57231 3.22532 -4.55069 -25.0188 -26.4206 1.67444 -26.5537 39.0963 TIMING: 205600 CPU: 594.199, 0.00285556/step Wall: 594.199, 0.00285556/step, 3.80297 hours remaining, 204.765625 MB of memory in use. ENERGY: 205600 705.9835 2095.9356 1984.3518 119.1852 -206205.5254 17868.0110 0.0000 0.0000 34227.1229 -149204.9355 298.9140 -183432.0584 -149107.6974 299.0238 131.7074 162.9168 556888.9784 11.6781 11.5677 PRESSURE: 205800 -226.351 -1.78688 -93.2521 -1.78648 -83.7807 62.5039 -93.2518 62.504 -443.825 GPRESSURE: 205800 -219.07 28.0324 -74.7101 29.7811 -98.787 73.7703 -131.798 53.1931 -335.659 PRESSAVG: 205800 -43.6202 -0.119356 11.4303 -0.119477 13.6463 -63.1272 11.4302 -63.1272 -54.4994 GPRESSAVG: 205800 -42.8718 0.988944 8.9627 1.53303 13.6133 -61.704 10.9654 -60.5968 -54.7775 TIMING: 205800 CPU: 594.774, 0.00287688/step Wall: 594.774, 0.00287688/step, 3.8312 hours remaining, 204.765625 MB of memory in use. ENERGY: 205800 737.1646 2105.5829 1954.0530 116.1974 -205889.8071 17443.4945 0.0000 0.0000 34351.4326 -149181.8821 299.9996 -183533.3147 -149079.3888 299.0418 -251.3188 -217.8386 558331.3531 -28.1578 -28.0120 PRESSURE: 206000 -65.054 -13.1038 -69.2195 -13.1066 -262.128 -11.2313 -69.2185 -11.2321 -188.301 GPRESSURE: 206000 -64.5923 30.4954 -146.655 -44.8111 -303.984 13.0261 1.45062 7.08131 -54.776 PRESSAVG: 206000 -17.5121 -31.3799 -38.8806 -31.3799 11.4699 15.994 -38.8805 15.9941 -28.8893 GPRESSAVG: 206000 -17.3239 -29.4823 -38.275 -33.6444 12.4739 15.8999 -36.7785 13.2249 -29.8773 TIMING: 206000 CPU: 595.352, 0.00288813/step Wall: 595.352, 0.00288813/step, 3.84603 hours remaining, 204.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 206000 736.3563 2074.7611 1939.7428 110.6391 -205952.1776 17484.2731 0.0000 0.0000 34318.4363 -149287.9690 299.7114 -183606.4053 -149198.9509 298.6090 -171.8279 -141.1175 557818.1029 -11.6438 -11.5758 PRESSURE: 206200 5.67229 -105.584 -96.8595 -105.583 115.085 -23.2366 -96.8601 -23.2397 63.641 GPRESSURE: 206200 27.4855 -131.576 -198.769 -117.208 128.365 -68.4186 16.7483 45.4965 122.832 PRESSAVG: 206200 -14.7606 -61.4046 -3.76492 -61.4046 -3.59613 8.44194 -3.76489 8.44196 -21.2043 GPRESSAVG: 206200 -15.6784 -62.676 -3.94039 -61.3282 -2.99533 9.30363 -3.73769 8.96901 -20.4977 TIMING: 206200 CPU: 595.928, 0.00288002/step Wall: 595.928, 0.00288002/step, 3.83507 hours remaining, 204.765625 MB of memory in use. ENERGY: 206200 751.9930 2101.5507 1972.3300 108.8407 -206404.7211 18055.9063 0.0000 0.0000 34031.4233 -149382.6771 297.2049 -183414.1004 -149290.6332 299.0399 61.4662 92.8941 557896.9504 -13.1870 -13.0572 PRESSURE: 206400 136.433 -172.765 125.529 -172.764 97.1868 -86.057 125.531 -86.0564 51.2062 GPRESSURE: 206400 134.439 -152.133 161.807 -198.361 101.562 -124.886 -17.6899 -148.858 136.42 PRESSAVG: 206400 38.9982 -9.5897 31.7018 -9.58966 -12.708 -40.8749 31.7017 -40.8748 -10.8857 GPRESSAVG: 206400 39.3026 -10.2122 32.0662 -8.93771 -12.4627 -42.5374 31.1354 -40.6525 -11.0529 TIMING: 206400 CPU: 596.505, 0.00288511/step Wall: 596.505, 0.00288511/step, 3.84168 hours remaining, 204.765625 MB of memory in use. ENERGY: 206400 742.5679 2086.9699 1946.3988 120.2732 -206397.1444 17941.1366 0.0000 0.0000 34131.1544 -149428.6436 298.0759 -183559.7980 -149331.2090 298.9431 94.9420 124.1405 557224.0957 5.1348 5.2623 PRESSURE: 206600 -83.8394 -44.531 -49.2546 -44.5307 -23.9401 27.0001 -49.2545 27.0007 -270.533 GPRESSURE: 206600 -65.0251 -93.4153 -18.8666 -42.8569 55.5133 25.8804 -14.2165 34.7028 -269.216 PRESSAVG: 206600 -37.0023 7.69172 22.6111 7.69178 23.627 14.7553 22.6112 14.7552 13.7527 GPRESSAVG: 206600 -36.7849 5.89684 21.3026 8.01274 24.3839 16.2737 24.2728 13.7 12.2927 TIMING: 206600 CPU: 597.085, 0.00290142/step Wall: 597.085, 0.00290142/step, 3.86323 hours remaining, 204.765625 MB of memory in use. ENERGY: 206600 778.3309 2127.0744 1928.4077 111.2972 -206141.2898 17653.4893 0.0000 0.0000 34085.2045 -149457.4857 297.6746 -183542.6902 -149368.5353 298.9475 -126.1041 -92.9094 557760.2245 0.1258 -0.0361 PRESSURE: 206800 -197.864 43.3763 -42.5276 43.3757 -496.494 60.2525 -42.5264 60.2516 -439.056 GPRESSURE: 206800 -196.317 52.7846 -91.4946 49.3219 -388.756 112.497 -13.4966 40.4193 -449.577 PRESSAVG: 206800 -31.5512 -31.3648 -25.7916 -31.3648 42.0629 12.1698 -25.7916 12.1698 68.3591 GPRESSAVG: 206800 -32.0898 -31.1624 -25.8974 -31.9027 40.6275 11.2506 -25.8496 12.9287 69.5829 TIMING: 206800 CPU: 597.664, 0.0028945/step Wall: 597.664, 0.0028945/step, 3.85386 hours remaining, 204.765625 MB of memory in use. ENERGY: 206800 808.0833 2140.2493 1951.6128 119.4823 -206050.6099 17307.2723 0.0000 0.0000 34171.3164 -149552.5935 298.4266 -183723.9099 -149462.0882 298.4998 -377.8048 -344.8834 558686.4512 26.2903 26.0402 PRESSURE: 207000 -221.5 9.97072 -44.1707 9.97017 91.9587 -138.504 -44.1715 -138.504 -245.55 GPRESSURE: 207000 -215.995 -24.223 -72.0391 -4.14652 106.161 -84.7452 -115.155 -172.899 -176.184 PRESSAVG: 207000 -36.8649 -32.7367 -2.7346 -32.7365 -19.9166 28.5782 -2.73458 28.5782 1.05377 GPRESSAVG: 207000 -37.5916 -32.0031 0.833733 -31.7838 -20.4202 27.5459 -5.93493 29.3619 2.17287 TIMING: 207000 CPU: 598.246, 0.00291013/step Wall: 598.246, 0.00291013/step, 3.87451 hours remaining, 204.765625 MB of memory in use. ENERGY: 207000 762.3912 2104.2069 1928.0438 105.4842 -206168.3428 17566.2647 0.0000 0.0000 34296.6203 -149405.3316 299.5209 -183701.9519 -149307.3754 299.1695 -125.0303 -95.3393 558165.1621 -18.5759 -18.6130 PRESSURE: 207200 7.14412 -55.6067 132.022 -55.6065 18.527 68.0743 132.024 68.0734 -163.853 GPRESSURE: 207200 27.1991 -67.3681 125.749 -55.5568 18.286 54.0643 137.381 83.4917 -80.0107 PRESSAVG: 207200 41.4601 -9.42716 -5.17456 -9.42713 6.54606 -19.3893 -5.17448 -19.3893 -20.4118 GPRESSAVG: 207200 41.8327 -10.0686 -8.62163 -10.7455 7.57415 -16.7264 -2.19679 -20.7739 -22.2552 TIMING: 207200 CPU: 598.825, 0.00289746/step Wall: 598.825, 0.00289746/step, 3.85748 hours remaining, 204.765625 MB of memory in use. ENERGY: 207200 716.7921 2108.7703 1944.2140 105.2373 -206125.8009 17755.9257 0.0000 0.0000 34031.2371 -149463.6244 297.2033 -183494.8616 -149362.0314 298.6559 -46.0605 -11.5085 558134.9193 9.1981 9.0505 PRESSURE: 207400 145.451 -70.9665 77.532 -70.9672 -42.8838 19.7941 77.5326 19.7936 292.919 GPRESSURE: 207400 215.386 -18.7396 116.398 -141.516 10.7648 30.4694 3.16827 -19.5656 267.414 PRESSAVG: 207400 35.8456 -33.4233 43.1887 -33.4234 -22.9012 -49.6402 43.1887 -49.6403 -47.9236 GPRESSAVG: 207400 35.8556 -33.6521 44.4055 -34.3189 -22.9356 -52.1445 41.2212 -49.5893 -47.9896 TIMING: 207400 CPU: 599.402, 0.0028859/step Wall: 599.402, 0.0028859/step, 3.84193 hours remaining, 204.765625 MB of memory in use. ENERGY: 207400 750.7437 2124.8019 1951.3385 120.5998 -206930.2389 18047.3072 0.0000 0.0000 34396.4875 -149538.9604 300.3931 -183935.4479 -149439.5101 298.6251 131.8287 164.5215 557066.8206 -11.6597 -11.6898 PRESSURE: 207600 -50.1738 -59.9355 35.1113 -59.9349 -307.693 117.816 35.1105 117.816 -16.2882 GPRESSURE: 207600 -50.3235 -25.0186 91.5516 -38.304 -272.944 125.252 87.2912 126.899 43.9216 PRESSAVG: 207600 -7.0062 18.7881 -21.9543 18.7881 -44.4938 -0.658566 -21.9543 -0.658574 26.7212 GPRESSAVG: 207600 -7.06056 19.1458 -20.9057 21.315 -45.6499 -0.282478 -23.6664 -0.468465 27.2769 TIMING: 207600 CPU: 599.978, 0.00287735/step Wall: 599.978, 0.00287735/step, 3.83039 hours remaining, 204.968750 MB of memory in use. ENERGY: 207600 755.7605 2131.6402 1935.4537 122.3569 -206436.1892 17702.1683 0.0000 0.0000 34220.5718 -149568.2376 298.8568 -183788.8095 -149474.6571 298.5637 -124.7185 -93.1154 556801.5595 -8.2596 -8.4778 PRESSURE: 207800 -69.6955 77.3662 189.341 77.3654 17.0595 117.983 189.341 117.982 -70.7979 GPRESSURE: 207800 -64.8933 66.0058 246.427 110.924 80.3064 66.5438 189.356 160.005 -31.888 PRESSAVG: 207800 -34.8827 10.1352 41.1224 10.1352 32.1886 31.5012 41.1224 31.5013 6.21661 GPRESSAVG: 207800 -35.5994 9.69283 41.6914 9.06437 33.0584 29.5488 43.5038 34.0597 6.59518 TIMING: 207800 CPU: 600.555, 0.00288687/step Wall: 600.555, 0.00288687/step, 3.84291 hours remaining, 204.968750 MB of memory in use. ENERGY: 207800 766.7474 2111.5028 1961.8989 124.6147 -206418.7682 17788.3552 0.0000 0.0000 34003.0908 -149662.5585 296.9574 -183665.6493 -149562.7153 299.1872 -41.1446 -5.4916 555127.5885 1.1742 1.3514 PRESSURE: 208000 -244.051 -16.5426 -78.6078 -16.5426 12.6796 -42.9886 -78.608 -42.9891 -315.126 GPRESSURE: 208000 -226.385 -1.64431 -92.6546 -77.0546 74.9003 -18.4562 -104.894 -31.2851 -284.927 PRESSAVG: 208000 28.3957 -66.0153 61.8731 -66.0152 48.4398 -0.55828 61.8731 -0.558303 -55.5296 GPRESSAVG: 208000 28.0752 -65.7205 58.6201 -66.5329 48.3932 1.30653 61.3151 -1.99376 -55.4343 TIMING: 208000 CPU: 601.134, 0.0028936/step Wall: 601.134, 0.0028936/step, 3.8517 hours remaining, 204.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 208000 743.9725 2102.8220 1945.2571 118.1186 -205939.6317 17394.7272 0.0000 0.0000 34032.5250 -149602.2092 297.2145 -183634.7343 -149509.2751 297.5029 -182.1658 -145.4706 556895.7948 7.1020 7.0114 PRESSURE: 208200 -194.221 -124.104 -80.2789 -124.105 -213.209 204.869 -80.2805 204.87 -241.872 GPRESSURE: 208200 -149.913 -89.1753 -149.811 -143.237 -187.961 195.207 3.86389 240.291 -214.292 PRESSAVG: 208200 -10.0075 -6.82306 -13.949 -6.82307 54.747 -19.904 -13.9489 -19.9042 -39.1936 GPRESSAVG: 208200 -8.94509 -8.08058 -12.684 -6.40616 54.5838 -20.7299 -13.0588 -19.1869 -39.7325 TIMING: 208200 CPU: 601.711, 0.00288319/step Wall: 601.711, 0.00288319/step, 3.83769 hours remaining, 204.968750 MB of memory in use. ENERGY: 208200 780.6087 2138.6050 1969.1957 118.3626 -205967.4364 17514.6502 0.0000 0.0000 34140.3229 -149305.6913 298.1559 -183446.0142 -149207.0072 299.0666 -216.4340 -184.0552 558322.8508 1.8486 1.9687 LDB: ============= START OF LOAD BALANCING ============== 605.099 LDB: ============== END OF LOAD BALANCING =============== 605.099 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 605.101 LDB: ============= START OF LOAD BALANCING ============== 605.39 LDB: Largest compute 4820 load 0.023794 is 20.2% of average load 0.117811 LDB: Average compute 0.001712 is 1.5% of average load 0.117811 LDB: TIME 605.392 LOAD: AVG 0.117811 MAX 0.179619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.223 MB LDB: TIME 605.392 LOAD: AVG 0.117811 MAX 0.179619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.262 MB LDB: TIME 605.392 LOAD: AVG 0.117811 MAX 0.179619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.262 MB LDB: ============== END OF LOAD BALANCING =============== 605.394 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 605.398 PRESSURE: 208400 -212.499 -108.452 -166.488 -108.453 -186.172 -60.8608 -166.489 -60.8594 -59.5397 GPRESSURE: 208400 -178.821 13.7212 -215.883 -176.868 -177.173 -111.085 -235.051 -25.0408 -0.633638 PRESSAVG: 208400 3.64272 -65.5645 -20.7081 -65.5645 3.37429 18.412 -20.7081 18.4119 1.0801 GPRESSAVG: 208400 3.75338 -61.9584 -21.8071 -67.7393 3.24117 21.3755 -20.0093 15.5189 1.97737 TIMING: 208400 CPU: 602.302, 0.0029585/step Wall: 602.302, 0.0029585/step, 3.93776 hours remaining, 205.253906 MB of memory in use. ENERGY: 208400 742.3406 2098.9171 1956.0088 125.2937 -205818.0012 17560.8763 0.0000 0.0000 33991.1180 -149343.4466 296.8529 -183334.5646 -149245.5314 298.6621 -152.7368 -118.8758 558256.1432 2.6990 2.9906 Info: useSync: 0 useProxySync: 0 PRESSURE: 208600 51.6531 146.345 6.8088 146.344 -152.192 -221.935 6.80819 -221.936 -199.778 GPRESSURE: 208600 48.7255 158.99 -80.5657 37.591 -122.987 -142.597 95.3823 -239.575 -139.172 PRESSAVG: 208600 45.8588 -16.2034 -16.4454 -16.2034 -12.9086 -39.6967 -16.4455 -39.6967 -45.7263 GPRESSAVG: 208600 45.3221 -17.38 -16.6067 -15.6308 -13.0339 -43.0019 -16.3967 -35.2256 -45.0036 TIMING: 208600 CPU: 602.877, 0.00287326/step Wall: 602.877, 0.00287326/step, 3.82415 hours remaining, 205.457031 MB of memory in use. ENERGY: 208600 786.1726 2072.6506 1955.1853 107.8535 -206240.5291 17674.4811 0.0000 0.0000 34211.6427 -149432.5434 298.7788 -183644.1861 -149332.8987 298.0507 -100.1056 -71.1443 557829.6987 -4.2587 -4.2385 PRESSURE: 208800 69.5103 -34.2116 27.074 -34.2119 172.923 99.8634 27.0737 99.8624 -253.403 GPRESSURE: 208800 115.154 -2.85252 75.8888 -32.8204 225.77 77.5628 8.44631 115.703 -256.311 PRESSAVG: 208800 -1.59367 31.0263 49.0045 31.0262 17.5844 -25.32 49.0045 -25.3201 -50.2912 GPRESSAVG: 208800 -0.243775 29.796 51.2444 29.383 17.2752 -24.2372 47.3888 -27.6474 -51.9852 TIMING: 208800 CPU: 603.455, 0.00289167/step Wall: 603.455, 0.00289167/step, 3.84849 hours remaining, 205.457031 MB of memory in use. ENERGY: 208800 741.7919 2114.7284 1968.2432 117.2086 -206627.7111 17916.3192 0.0000 0.0000 34652.6328 -149116.7870 302.6301 -183769.4198 -149021.2487 299.3481 -3.6567 28.2042 557451.2790 -11.4335 -11.6513 PRESSURE: 209000 -189 20.3208 -51.4385 20.3196 -244.185 -159.479 -51.4391 -159.479 -217.399 GPRESSURE: 209000 -144.72 49.7446 -57.9083 -11.0537 -237.551 -123.099 -102.821 -205.962 -166.97 PRESSAVG: 209000 -40.8659 10.4577 54.7992 10.4576 61.6853 -1.94425 54.7992 -1.94431 -26.7967 GPRESSAVG: 209000 -41.5049 10.1219 53.6671 10.9049 62.8669 -2.77801 54.4952 -2.27818 -27.1463 TIMING: 209000 CPU: 604.032, 0.0028846/step Wall: 604.032, 0.0028846/step, 3.83892 hours remaining, 205.457031 MB of memory in use. ENERGY: 209000 759.8320 2124.7929 1971.6811 120.6424 -205797.6657 17520.9679 0.0000 0.0000 34335.7977 -148963.9517 299.8631 -183299.7495 -148866.8571 299.8289 -216.8615 -183.0806 558762.4434 -1.9924 -1.9281 PRESSURE: 209200 -167.946 17.1532 190.231 17.1541 -118.691 88.5483 190.232 88.548 -126.1 GPRESSURE: 209200 -163.509 87.7105 95.3892 -4.82223 -74.2294 91.2712 209.661 49.9531 -87.8497 PRESSAVG: 209200 -62.1098 -17.4579 15.9585 -17.4578 34.0689 5.33951 15.9586 5.33955 -16.8143 GPRESSAVG: 209200 -63.1517 -15.0081 17.48 -16.9975 34.032 7.80714 14.8608 3.93242 -15.7855 TIMING: 209200 CPU: 604.606, 0.00286816/step Wall: 604.606, 0.00286816/step, 3.81689 hours remaining, 205.457031 MB of memory in use. ENERGY: 209200 802.0977 2092.4443 1955.8264 117.5800 -205993.9237 17704.8319 0.0000 0.0000 34353.0925 -148968.0509 300.0141 -183321.1434 -148873.2239 300.2074 -137.5791 -108.5295 558162.3891 -14.9517 -14.9684 PRESSURE: 209400 180.463 -39.6903 -22.8315 -39.6895 118.092 135.971 -22.8325 135.971 58.1303 GPRESSURE: 209400 182.783 -11.3712 -16.9343 -17.9246 165.056 159.868 -39.6494 121.682 100.401 PRESSAVG: 209400 42.3453 -14.8726 -20.396 -14.8727 -32.2753 -10.1574 -20.396 -10.1574 -21.5007 GPRESSAVG: 209400 43.2409 -15.8651 -21.8063 -15.902 -32.791 -14.0809 -17.9855 -8.86417 -21.8915 TIMING: 209400 CPU: 605.186, 0.00290276/step Wall: 605.186, 0.00290276/step, 3.86277 hours remaining, 205.457031 MB of memory in use. ENERGY: 209400 761.1838 2090.6226 1975.3222 108.7290 -206188.1603 18062.7010 0.0000 0.0000 34524.2351 -148665.3666 301.5087 -183189.6018 -148568.2625 300.3469 118.8953 149.4132 558991.6362 -3.8102 -3.8139 PRESSURE: 209600 47.9367 92.1107 38.1415 92.1107 359.82 -48.2201 38.1411 -48.2203 101.261 GPRESSURE: 209600 119.722 186.685 40.3412 69.1262 411.938 120.574 71.3825 -152.149 82.6935 PRESSAVG: 209600 64.7481 0.303302 -21.0896 0.30327 7.21493 -34.6296 -21.0895 -34.6295 -56.0506 GPRESSAVG: 209600 66.0156 -0.141825 -21.8887 3.0076 7.3535 -33.0601 -21.907 -33.3775 -57.0541 TIMING: 209600 CPU: 605.764, 0.00288667/step Wall: 605.764, 0.00288667/step, 3.8412 hours remaining, 205.457031 MB of memory in use. ENERGY: 209600 681.8495 2093.5874 1971.3520 106.7540 -205932.2350 17835.7421 0.0000 0.0000 34617.9956 -148624.9544 302.3276 -183242.9500 -148524.7728 300.9885 169.6725 204.7845 558719.5700 5.3041 5.4383 PRESSURE: 209800 -44.5611 82.4736 25.7224 82.4737 92.4997 78.0847 25.7223 78.0845 23.6913 GPRESSURE: 209800 38.5931 127.916 25.7036 22.0004 91.7514 53.9824 -12.5992 20.377 35.2208 PRESSAVG: 209800 23.8141 -31.9847 9.17124 -31.9847 19.6158 1.45128 9.17113 1.45124 -24.7671 GPRESSAVG: 209800 21.5109 -31.0865 9.94892 -34.1894 20.118 2.29699 8.85415 -1.01396 -22.1668 TIMING: 209800 CPU: 606.341, 0.00288645/step Wall: 606.341, 0.00288645/step, 3.84074 hours remaining, 205.457031 MB of memory in use. ENERGY: 209800 738.6245 2193.2614 1917.7815 106.7816 -205760.7643 17841.8443 0.0000 0.0000 34332.1500 -148630.3210 299.8312 -182962.4710 -148531.3936 300.9499 23.8766 55.1884 560071.7041 6.2210 6.4874 PRESSURE: 210000 -33.2361 9.3372 143.815 9.33762 32.896 -116.237 143.815 -116.238 -7.64075 GPRESSURE: 210000 -26.0766 35.8791 161.686 23.5565 120.946 -202.112 77.3416 -54.5431 -11.9115 PRESSAVG: 210000 15.0739 -4.75656 8.32615 -4.75647 37.9027 17.9672 8.32618 17.9672 -44.8447 GPRESSAVG: 210000 15.328 -5.1141 9.76364 -3.9308 38.7235 17.1178 7.90269 18.3526 -45.6089 TIMING: 210000 CPU: 606.92, 0.00289253/step Wall: 606.92, 0.00289253/step, 3.84867 hours remaining, 205.457031 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: 210000 740.1286 2159.8920 1948.2166 101.9322 -205918.7421 17784.4679 0.0000 0.0000 34360.9064 -148823.1984 300.0823 -183184.1048 -148740.8225 300.8128 -2.6603 27.6527 559051.7473 2.7106 2.8142 PRESSURE: 210200 -34.1115 -143.896 -63.3837 -143.894 -69.8403 11.1592 -63.3837 11.1589 -80.4405 GPRESSURE: 210200 -26.5981 -143.354 -5.73981 -187.906 -44.8416 24.8741 -38.9462 -29.3438 -15.245 PRESSAVG: 210200 -69.7085 4.12486 12.7354 4.12486 9.45383 6.52658 12.7355 6.52658 29.2521 GPRESSAVG: 210200 -69.2846 3.7671 12.1054 3.10231 9.11774 7.50397 13.8963 6.70586 28.4205 TIMING: 210200 CPU: 607.496, 0.0028835/step Wall: 607.496, 0.0028835/step, 3.8365 hours remaining, 205.457031 MB of memory in use. ENERGY: 210200 757.5164 2109.6638 1942.5331 108.6661 -205791.4420 17741.8862 0.0000 0.0000 34284.1993 -148846.9771 299.4124 -183131.1764 -148745.2797 300.3429 -61.4641 -28.8949 559054.8204 -10.3342 -10.5821 PRESSURE: 210400 20.4586 88.0017 44.6516 88.0015 -197.445 -44.1679 44.6525 -44.1676 -422.36 GPRESSURE: 210400 -8.97098 112.307 56.8679 88.8695 -152.798 -63.2571 21.2736 -66.9406 -319.072 PRESSAVG: 210400 -8.57875 -13.7774 -5.55931 -13.7774 -16.0787 7.64255 -5.55934 7.64251 -2.46699 GPRESSAVG: 210400 -8.23156 -13.7319 -6.9169 -11.8958 -16.4113 8.93506 -5.16201 6.19964 -2.61972 TIMING: 210400 CPU: 608.076, 0.00289646/step Wall: 608.076, 0.00289646/step, 3.85359 hours remaining, 205.457031 MB of memory in use. ENERGY: 210400 780.8707 2070.5930 1950.7747 119.0548 -205794.5913 17722.9443 0.0000 0.0000 34246.9158 -148903.4380 299.0868 -183150.3538 -148806.2897 300.6784 -199.7821 -160.2801 559848.9658 -9.0415 -9.0875 PRESSURE: 210600 -299.775 68.2356 -28.9999 68.2363 -124.616 -102.022 -28.9989 -102.02 -79.862 GPRESSURE: 210600 -271.519 41.9007 -28.3316 40.4714 -122.876 -67.8486 8.41452 -113.547 -20.2841 PRESSAVG: 210600 26.8642 -3.50892 13.9577 -3.50902 30.5858 -6.57565 13.9577 -6.57563 -57.1438 GPRESSAVG: 210600 26.642 -4.11385 13.3441 -5.08653 29.6758 -5.10913 12.7762 -4.25971 -56.1445 TIMING: 210600 CPU: 608.651, 0.00287512/step Wall: 608.651, 0.00287512/step, 3.82502 hours remaining, 205.617188 MB of memory in use. ENERGY: 210600 772.5844 2103.8689 1950.5980 116.6744 -205801.3102 17474.7645 0.0000 0.0000 34478.3765 -148904.4434 301.1082 -183382.8199 -148806.0611 300.3683 -168.0843 -138.2261 558758.2062 0.1021 0.0578 PRESSURE: 210800 -116.027 -0.652947 5.54286 -0.652702 -178.412 54.7158 5.54276 54.7162 -205.244 GPRESSURE: 210800 -51.3578 120.828 -10.7329 -45.5666 -143.2 76.1912 94.7637 8.70506 -203.019 PRESSAVG: 210800 -9.81489 9.71233 8.205 9.71237 50.797 34.904 8.20496 34.9039 -39.8107 GPRESSAVG: 210800 -10.0707 12.3832 9.86173 7.01973 51.5847 31.8477 8.76951 33.8413 -40.3366 TIMING: 210800 CPU: 609.228, 0.002885/step Wall: 609.228, 0.002885/step, 3.83801 hours remaining, 205.617188 MB of memory in use. ENERGY: 210800 755.9636 2133.1349 1920.9767 124.9709 -205746.8968 17537.5069 0.0000 0.0000 34072.2563 -149202.0875 297.5615 -183274.3438 -149109.0192 300.1048 -166.5610 -132.5258 557465.9993 0.3905 0.3925 PRESSURE: 211000 80.1925 -200.084 80.1918 -200.085 -252.159 109.234 80.1927 109.234 93.6422 GPRESSURE: 211000 75.8324 -210.088 110.805 -180.056 -159.084 88.6685 41.0257 134.865 103.634 PRESSAVG: 211000 -13.2262 -41.5695 43.0009 -41.5696 -16.006 14.0142 43.0009 14.0142 36.7861 GPRESSAVG: 211000 -12.5881 -44.5847 44.3033 -37.1095 -17.0476 14.2279 41.4532 15.1942 36.795 TIMING: 211000 CPU: 609.803, 0.00287706/step Wall: 609.803, 0.00287706/step, 3.82729 hours remaining, 205.617188 MB of memory in use. ENERGY: 211000 717.7483 2130.3327 1967.3520 116.2882 -206510.3285 17919.8613 0.0000 0.0000 34337.7378 -149321.0082 299.8800 -183658.7459 -149227.2670 299.3704 -26.1082 6.7941 557675.8384 2.5179 2.3864 PRESSURE: 211200 106.206 164.205 -0.331705 164.206 -321.744 -95.8151 -0.332062 -95.8171 -60.6939 GPRESSURE: 211200 115.328 215.907 -33.1009 128.686 -289.263 -136.056 -60.6727 -161.994 -6.10418 PRESSAVG: 211200 -8.81354 -43.1157 12.6123 -43.1157 -56.9315 -15.3268 12.6123 -15.3268 42.347 GPRESSAVG: 211200 -9.10413 -41.7819 11.3948 -44.9551 -56.174 -17.5493 14.429 -15.2081 42.3452 TIMING: 211200 CPU: 610.378, 0.00287327/step Wall: 610.378, 0.00287327/step, 3.82209 hours remaining, 205.617188 MB of memory in use. ENERGY: 211200 758.2164 2158.7295 1956.0239 101.7048 -206372.6940 17769.4955 0.0000 0.0000 34501.3102 -149127.2138 301.3085 -183628.5240 -149032.8858 299.7787 -92.0776 -60.0129 556819.1267 -7.7994 -7.6443 PRESSURE: 211400 -189.411 60.3958 6.2783 60.396 -255.541 -102.997 6.27833 -102.998 -109.622 GPRESSURE: 211400 -137.57 68.8703 10.2754 12.059 -249.144 -187.474 32.7739 -70.0327 -78.696 PRESSAVG: 211400 -6.95164 -7.74345 -36.0166 -7.74348 -13.0106 9.71311 -36.0165 9.71317 3.45836 GPRESSAVG: 211400 -5.63585 -9.78053 -34.9286 -4.40163 -13.5689 13.4927 -37.3404 10.2432 2.40365 TIMING: 211400 CPU: 610.953, 0.00287507/step Wall: 610.953, 0.00287507/step, 3.82432 hours remaining, 205.617188 MB of memory in use. ENERGY: 211400 727.2782 2141.6012 1937.9393 124.4723 -205857.9265 17393.9534 0.0000 0.0000 34253.6775 -149279.0046 299.1459 -183532.6821 -149183.1275 299.8771 -184.8579 -155.1366 557623.3907 -5.5013 -5.6004 PRESSURE: 211600 -146.181 -53.3371 -50.5632 -53.3374 -134.037 -51.0494 -50.5637 -51.0492 -198.983 GPRESSURE: 211600 -105.999 -56.4238 -121.707 13.5339 -122.11 15.1945 -4.58659 -146.266 -162.882 PRESSAVG: 211600 -40.8825 2.77621 -37.5985 2.7762 3.84551 -16.3948 -37.5986 -16.3949 53.4864 GPRESSAVG: 211600 -41.4573 3.60124 -38.3948 -1.01039 2.16182 -17.8799 -38.7765 -15.0824 54.8848 TIMING: 211600 CPU: 611.528, 0.00287645/step Wall: 611.528, 0.00287645/step, 3.826 hours remaining, 205.617188 MB of memory in use. ENERGY: 211600 772.1203 2060.9658 1957.3236 126.5515 -206386.9753 17645.6369 0.0000 0.0000 34328.7387 -149495.6384 299.8014 -183824.3771 -149397.6010 299.1800 -159.7337 -130.3303 556801.2871 5.4831 5.1964 PRESSURE: 211800 53.5789 23.2993 67.8788 23.3005 -28.2581 -151.122 67.8804 -151.12 364.648 GPRESSURE: 211800 68.205 26.6604 107.191 41.7488 15.6655 -124.733 75.4748 -198.799 389.007 PRESSAVG: 211800 -62.3781 -25.1262 44.3763 -25.1262 57.9291 -39.8962 44.3764 -39.8963 54.9282 GPRESSAVG: 211800 -62.6578 -23.6479 43.8211 -23.9227 59.5384 -41.2644 46.0481 -41.7718 53.4272 TIMING: 211800 CPU: 612.103, 0.00287278/step Wall: 612.103, 0.00287278/step, 3.82096 hours remaining, 205.617188 MB of memory in use. ENERGY: 211800 768.3970 2137.2787 1944.7006 109.7971 -206840.9631 18021.1849 0.0000 0.0000 34419.0743 -149440.5306 300.5903 -183859.6048 -149340.8889 299.1394 129.9894 157.6258 556091.7457 16.8264 16.7693 PRESSURE: 212000 76.5921 281.141 -126.926 281.14 -221.12 144.963 -126.926 144.962 248.636 GPRESSURE: 212000 64.4787 210.578 -154.603 337.607 -186.576 130.522 -77.9766 157.607 315.291 PRESSAVG: 212000 -56.8806 17.9869 -31.8857 17.987 -55.589 -2.06301 -31.8857 -2.0629 65.4171 GPRESSAVG: 212000 -55.8994 16.7872 -33.0876 18.7448 -57.8017 -0.395391 -32.2354 -3.76373 65.989 TIMING: 212000 CPU: 612.672, 0.00284723/step Wall: 612.672, 0.00284723/step, 3.78682 hours remaining, 205.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 212000 763.6488 2169.2658 1946.7281 113.6862 -206556.2072 17966.8527 0.0000 0.0000 34173.7776 -149422.2481 298.4481 -183596.0257 -149326.9066 299.1477 34.7029 64.3978 558826.8559 -15.6841 -15.9040 PRESSURE: 212200 -70.1206 92.9252 108.469 92.9253 -12.0668 96.2097 108.469 96.2088 165.084 GPRESSURE: 212200 -18.8939 60.5295 175.652 165.485 49.8375 74.6148 77.086 80.388 154.543 PRESSAVG: 212200 -71.7904 11.8942 64.4325 11.8941 15.9934 31.1588 64.4325 31.159 59.1419 GPRESSAVG: 212200 -73.178 10.5707 65.7545 13.0694 16.7965 31.6309 65.8988 33.745 59.1332 TIMING: 212200 CPU: 613.246, 0.00287206/step Wall: 613.246, 0.00287206/step, 3.81968 hours remaining, 205.617188 MB of memory in use. ENERGY: 212200 762.9199 2069.5910 1964.1843 109.7991 -206593.2940 17971.4989 0.0000 0.0000 34157.9048 -149557.3960 298.3095 -183715.3009 -149465.4508 298.1385 27.6322 61.8287 558394.7803 1.1150 0.9173 LDB: ============= START OF LOAD BALANCING ============== 616.632 LDB: ============== END OF LOAD BALANCING =============== 616.632 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 616.634 LDB: ============= START OF LOAD BALANCING ============== 616.921 LDB: Largest compute 4820 load 0.023421 is 19.9% of average load 0.117918 LDB: Average compute 0.001717 is 1.5% of average load 0.117918 LDB: TIME 616.923 LOAD: AVG 0.117918 MAX 0.179032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.383 MB LDB: TIME 616.924 LOAD: AVG 0.117918 MAX 0.179032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.383 MB LDB: TIME 616.924 LOAD: AVG 0.117918 MAX 0.179032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.383 MB LDB: ============== END OF LOAD BALANCING =============== 616.926 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 616.93 PRESSURE: 212400 352.783 147.328 46.6881 147.33 -55.1295 59.6618 46.6883 59.6626 10.0087 GPRESSURE: 212400 428.513 209.409 -68.8544 213.644 -60.4181 66.4891 83.3904 110.01 34.1541 PRESSAVG: 212400 -17.9007 68.1707 29.4917 68.1706 -33.5578 21.668 29.4917 21.668 31.2971 GPRESSAVG: 212400 -16.732 71.7099 28.7921 66.1359 -33.1878 18.5076 26.964 17.8306 30.1356 TIMING: 212400 CPU: 613.834, 0.00293792/step Wall: 613.834, 0.00293792/step, 3.9071 hours remaining, 204.425781 MB of memory in use. ENERGY: 212400 737.5557 2059.9048 1946.5935 108.1887 -206575.1322 18061.9506 0.0000 0.0000 34200.2974 -149460.6415 298.6797 -183660.9388 -149360.7551 298.5875 102.5542 134.0830 558290.0883 -6.7205 -6.5947 PRESSURE: 212600 -71.2621 -73.5701 -98.7941 -73.5689 13.641 -67.8483 -98.7952 -67.8495 -56.908 GPRESSURE: 212600 -23.1669 -68.6537 -130.271 -104.414 36.0418 -72.6812 -98.6786 -79.7216 -28.428 PRESSAVG: 212600 -30.3642 18.1175 -26.4251 18.1175 -53.4707 -41.895 -26.425 -41.895 82.4993 GPRESSAVG: 212600 -31.2052 17.5105 -26.5588 18.0697 -53.8481 -40.535 -26.1417 -39.2348 83.8014 TIMING: 212600 CPU: 614.409, 0.00287288/step Wall: 614.409, 0.00287288/step, 3.82046 hours remaining, 204.425781 MB of memory in use. ENERGY: 212600 757.5293 2102.3005 1945.4293 103.8339 -206283.5690 17779.4409 0.0000 0.0000 34241.8597 -149353.1753 299.0427 -183595.0350 -149260.7644 299.1398 -38.1764 -5.1844 557688.6117 -0.4452 -0.4173 PRESSURE: 212800 -154.13 0.233162 67.7005 0.234029 53.4638 -102.97 67.7007 -102.97 33.2325 GPRESSURE: 212800 -61.5294 11.1449 32.1059 -5.16503 107.958 -83.2632 130.654 -177.478 -13.93 PRESSAVG: 212800 5.43967 -34.9414 30.075 -34.9412 -3.37189 11.1881 30.075 11.1881 18.7999 GPRESSAVG: 212800 6.69244 -36.201 31.5391 -35.0049 -3.56549 11.8258 29.8832 8.6198 18.3456 TIMING: 212800 CPU: 614.982, 0.00286713/step Wall: 614.982, 0.00286713/step, 3.81265 hours remaining, 204.425781 MB of memory in use. ENERGY: 212800 782.9703 2074.1840 1943.7228 108.2471 -206436.7989 17762.6227 0.0000 0.0000 34435.1341 -149329.9181 300.7306 -183765.0522 -149234.4058 298.7214 -22.4779 10.8328 555280.2726 6.9559 7.1575 PRESSURE: 213000 -57.8084 -87.7849 20.1831 -87.7836 -89.5437 -25.274 20.1825 -25.2754 46.6506 GPRESSURE: 213000 36.7937 -46.8264 32.5221 -124.805 -32.1634 -21.4872 -38.5891 38.337 -7.52025 PRESSAVG: 213000 -2.46728 2.61947 -6.64337 2.61936 7.06007 17.7108 -6.64341 17.7109 23.4512 GPRESSAVG: 213000 -3.17673 4.24054 -6.73617 4.24015 7.33218 15.3226 -7.09721 21.1942 23.6102 TIMING: 213000 CPU: 615.559, 0.00288519/step Wall: 615.559, 0.00288519/step, 3.8365 hours remaining, 204.425781 MB of memory in use. ENERGY: 213000 726.6853 2082.8727 1940.7310 101.6981 -206062.5648 17660.5561 0.0000 0.0000 34198.4083 -149351.6133 298.6632 -183550.0216 -149257.7087 299.2682 -33.5672 -0.9633 556068.4424 9.3480 9.2552 PRESSURE: 213200 46.4874 103.303 11.9031 103.302 -146.461 27.1933 11.9049 27.1932 -38.8557 GPRESSURE: 213200 84.7443 150.824 -10.4058 57.9673 -60.9119 83.8575 13.4591 0.214033 -54.1692 PRESSAVG: 213200 -17.4669 -31.366 -48.4695 -31.3661 -3.44809 -34.5904 -48.4694 -34.5903 25.291 GPRESSAVG: 213200 -17.6362 -32.1198 -50.1337 -31.7342 -2.88598 -34.5855 -46.0008 -35.9643 24.9381 TIMING: 213200 CPU: 616.135, 0.00287838/step Wall: 616.135, 0.00287838/step, 3.82729 hours remaining, 204.425781 MB of memory in use. ENERGY: 213200 719.3049 2081.3476 1931.8466 122.0373 -206038.3704 17724.1966 0.0000 0.0000 33986.3274 -149473.3101 296.8111 -183459.6375 -149379.9368 299.0839 -46.2764 -10.1123 557760.2087 1.4587 1.4720 PRESSURE: 213400 -29.4433 -139.771 -66.1354 -139.771 70.6426 130.042 -66.1365 130.042 307.813 GPRESSURE: 213400 -4.21493 -194.071 -125.172 -105.045 102.829 146.92 -25.6134 158.731 348.475 PRESSAVG: 213400 -42.3323 -0.605094 -43.9296 -0.605198 -34.94 -17.9918 -43.9296 -17.9918 99.5235 GPRESSAVG: 213400 -42.5852 -0.868296 -43.4577 -0.795945 -35.3896 -16.2517 -44.5679 -18.2322 100.628 TIMING: 213400 CPU: 616.709, 0.00287323/step Wall: 616.709, 0.00287323/step, 3.82028 hours remaining, 204.425781 MB of memory in use. ENERGY: 213400 740.4425 2064.5360 1923.9212 120.1111 -206473.8921 18023.4767 0.0000 0.0000 34295.7657 -149305.6389 299.5135 -183601.4047 -149216.7733 298.7105 116.3373 149.0297 556927.7136 7.4171 7.5511 PRESSURE: 213600 73.2354 -66.0193 84.4755 -66.0185 -125.453 -40.312 84.4759 -40.3115 23.7609 GPRESSURE: 213600 83.7335 -74.8144 19.3446 11.1863 -56.4563 -55.3883 92.0783 10.2725 29.9195 PRESSAVG: 213600 -0.0713195 -30.3331 -28.9738 -30.3331 41.5994 -25.5556 -28.9738 -25.5556 9.10147 GPRESSAVG: 213600 0.305739 -29.5819 -28.9561 -30.9007 42.1159 -26.1861 -30.787 -24.7714 8.46433 TIMING: 213600 CPU: 617.281, 0.00285811/step Wall: 617.281, 0.00285811/step, 3.80001 hours remaining, 204.425781 MB of memory in use. ENERGY: 213600 758.2569 2114.3844 1931.3178 104.1025 -206282.3496 17853.1957 0.0000 0.0000 34300.1363 -149220.9559 299.5516 -183521.0922 -149124.6972 299.3900 -9.4855 19.0656 555964.7666 16.8765 16.9620 PRESSURE: 213800 -83.8762 156.301 35.9383 156.3 -85.1655 -22.4585 35.939 -22.4575 10.9587 GPRESSURE: 213800 -81.9452 175.188 81.9051 170.161 -72.0008 27.8155 2.40704 -99.6612 103.666 PRESSAVG: 213800 -67.5243 29.5364 -5.45796 29.5364 29.1275 -41.8524 -5.45801 -41.8523 39.1414 GPRESSAVG: 213800 -68.1057 26.6216 -5.42715 31.4379 28.7931 -42.0818 -4.76544 -41.8003 40.3248 TIMING: 213800 CPU: 617.856, 0.00287645/step Wall: 617.856, 0.00287645/step, 3.82424 hours remaining, 204.625000 MB of memory in use. ENERGY: 213800 747.0413 2061.4266 1973.2519 130.8961 -206010.5708 17665.8928 0.0000 0.0000 34314.3034 -149117.7587 299.6753 -183432.0621 -149020.4449 299.5155 -52.6943 -16.7600 556203.1069 0.2482 0.3374 PRESSURE: 214000 63.0089 2.64832 -83.4236 2.64816 233.89 -78.0988 -83.4229 -78.1003 83.9713 GPRESSURE: 214000 103.109 -64.9982 8.61148 -3.52303 274.491 -154.734 -78.4728 -69.699 96.1773 PRESSAVG: 214000 -8.56371 10.1502 -5.41616 10.1502 -34.23 -65.0838 -5.41622 -65.0837 43.8969 GPRESSAVG: 214000 -8.63651 11.5486 -3.62697 8.00553 -33.693 -63.3305 -6.24861 -66.1152 43.3565 TIMING: 214000 CPU: 618.426, 0.00284946/step Wall: 618.426, 0.00284946/step, 3.7882 hours remaining, 204.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 214000 763.1850 2106.7812 1915.1225 114.6149 -206695.4428 18000.6320 0.0000 0.0000 34722.5143 -149072.5927 303.2404 -183795.1070 -148972.9212 300.1067 126.9566 157.9259 556682.9342 0.3677 0.3423 PRESSURE: 214200 -68.2874 -72.6412 -86.783 -72.6417 130.791 137.129 -86.7835 137.129 -161.468 GPRESSURE: 214200 -22.0437 -24.4894 -100.84 -105.321 105.145 49.3927 -74.1643 170.961 -86.1532 PRESSAVG: 214200 -44.5802 -39.884 -42.1512 -39.884 28.0192 -21.453 -42.1512 -21.453 14.6696 GPRESSAVG: 214200 -45.2161 -39.7218 -43.561 -39.3035 28.3629 -24.7071 -42.0715 -19.3434 15.0502 TIMING: 214200 CPU: 618.998, 0.00286029/step Wall: 618.998, 0.00286029/step, 3.80244 hours remaining, 204.625000 MB of memory in use. ENERGY: 214200 768.4702 2118.0505 1921.3792 112.5157 -206367.2925 17910.4028 0.0000 0.0000 34580.4889 -148955.9852 302.0000 -183536.4741 -148859.3689 300.1474 -32.9882 -1.0174 558121.5705 -0.6305 -0.6010 PRESSURE: 214400 130.389 137.485 44.0697 137.484 -11.5092 -96.2185 44.0692 -96.2202 35.7659 GPRESSURE: 214400 145.141 127.384 132.892 154.314 8.73121 -4.15544 18.0506 -70.0554 91.9709 PRESSAVG: 214400 -57.7239 27.1694 -39.6852 27.1695 1.46567 -27.9961 -39.6852 -27.996 51.5674 GPRESSAVG: 214400 -57.6528 26.9007 -40.1141 29.1268 1.52336 -23.8615 -40.415 -29.9611 51.2694 TIMING: 214400 CPU: 619.571, 0.00286517/step Wall: 619.571, 0.00286517/step, 3.80876 hours remaining, 204.664062 MB of memory in use. ENERGY: 214400 728.2271 2141.0329 1981.0203 122.8076 -206030.3206 17700.2840 0.0000 0.0000 34338.1498 -149018.7989 299.8836 -183356.9488 -148920.8167 300.0685 51.5487 81.9476 555114.6148 -1.5636 -1.6200 PRESSURE: 214600 -52.1271 -23.9562 -184.628 -23.9557 227.572 -212.392 -184.628 -212.392 -84.1757 GPRESSURE: 214600 40.8509 -18.9799 -157.962 -74.5744 188.269 -179.475 -105.119 -147.415 -40.3725 PRESSAVG: 214600 -87.4967 48.655 -31.428 48.655 52.5337 -71.7165 -31.4281 -71.7166 4.28584 GPRESSAVG: 214600 -86.6918 47.8332 -31.473 47.2887 51.2394 -75.1088 -31.1384 -69.3709 4.87308 TIMING: 214600 CPU: 620.145, 0.00287024/step Wall: 620.145, 0.00287024/step, 3.81534 hours remaining, 204.664062 MB of memory in use. ENERGY: 214600 766.7051 2143.9965 1953.8580 110.1022 -206614.2868 17951.1685 0.0000 0.0000 34385.4908 -149302.9657 300.2970 -183688.4564 -149199.7894 299.8876 30.4231 62.9159 556131.2415 -10.2257 -10.1931 PRESSURE: 214800 -154.25 -107.346 -266.207 -107.345 -161.299 -92.4052 -266.208 -92.4056 -309.165 GPRESSURE: 214800 -176.849 -23.6466 -232.108 -110.987 -63.0612 -108.472 -264.201 -135.324 -256.625 PRESSAVG: 214800 1.86567 -23.2294 2.63705 -23.2293 19.1578 -15.959 2.63714 -15.9591 -6.09304 GPRESSAVG: 214800 1.21677 -20.6308 2.72025 -20.8915 20.898 -13.1417 3.91708 -16.684 -6.39689 TIMING: 214800 CPU: 620.721, 0.00287749/step Wall: 620.721, 0.00287749/step, 3.82482 hours remaining, 204.664062 MB of memory in use. ENERGY: 214800 778.2047 2110.0150 1953.9528 115.7014 -206262.8644 17602.0361 0.0000 0.0000 34364.4196 -149338.5347 300.1130 -183702.9544 -149241.8178 299.5011 -208.2378 -165.5116 555885.9527 4.9768 5.2393 PRESSURE: 215000 -255.198 170.742 -11.6467 170.741 -231.818 -117.001 -11.6471 -117 -61.4869 GPRESSURE: 215000 -204.747 141.419 -8.0134 158.412 -191.687 -61.6592 -134.468 -104.038 -42.9364 PRESSAVG: 215000 -8.4505 54.5566 -51.5653 54.5566 -8.47136 -56.7226 -51.5654 -56.7228 4.34788 GPRESSAVG: 215000 -8.88933 53.5745 -52.0983 52.4106 -8.24251 -57.447 -51.9865 -58.0181 4.77183 TIMING: 215000 CPU: 621.299, 0.00289217/step Wall: 621.299, 0.00289217/step, 3.84418 hours remaining, 204.664062 MB of memory in use. ENERGY: 215000 778.7539 2159.1760 1922.5379 108.2950 -205938.1648 17427.5969 0.0000 0.0000 34218.4601 -149323.3451 298.8383 -183541.8052 -149221.7090 298.9646 -182.8344 -146.4571 556735.3289 -4.1913 -4.1200 PRESSURE: 215200 -112.848 -100.66 10.8267 -100.66 -15.6463 79.2557 10.8275 79.2566 -251.654 GPRESSURE: 215200 -47.4111 -109.011 -102.151 -139.675 23.0663 139.942 49.945 49.1454 -243.102 PRESSAVG: 215200 -20.1757 -13.1151 -3.14425 -13.1152 -35.9872 8.77382 -3.14421 8.77392 17.492 GPRESSAVG: 215200 -19.7969 -13.1698 -3.88974 -15.1613 -36.595 7.94653 -1.6446 10.233 17.4275 TIMING: 215200 CPU: 621.879, 0.00290045/step Wall: 621.879, 0.00290045/step, 3.85501 hours remaining, 204.664062 MB of memory in use. ENERGY: 215200 765.8037 2159.0325 1945.3795 107.9088 -206153.7128 17703.1784 0.0000 0.0000 34050.8936 -149421.5163 297.3749 -183472.4099 -149324.9856 299.4100 -126.7161 -89.1491 556028.7791 -12.8903 -12.9881 PRESSURE: 215400 35.4124 18.2838 137.84 18.2832 58.554 78.9737 137.84 78.9733 61.3628 GPRESSURE: 215400 72.2761 -57.5122 168.075 -22.1016 105.178 48.7524 148.193 112.163 88.4594 PRESSAVG: 215400 -78.2334 2.12958 -68.9944 2.12963 54.401 4.58327 -68.9944 4.58344 44.5668 GPRESSAVG: 215400 -78.9456 2.94411 -66.5481 4.79837 55.2943 5.87517 -70.8168 4.03777 44.47 TIMING: 215400 CPU: 622.457, 0.0028861/step Wall: 622.457, 0.0028861/step, 3.83578 hours remaining, 204.664062 MB of memory in use. ENERGY: 215400 765.3879 2078.5253 1982.9425 113.5325 -206510.1198 17973.9974 0.0000 0.0000 34068.6297 -149527.1045 297.5298 -183595.7342 -149434.5015 298.8175 51.7764 88.6378 555786.4104 6.9114 6.9396 PRESSURE: 215600 17.9335 -122.386 92.3197 -122.387 18.3772 183.407 92.3193 183.406 -174.953 GPRESSURE: 215600 31.3636 -74.3796 8.99173 -178.239 46.805 223.58 70.1812 174.052 -127.449 PRESSAVG: 215600 -33.6142 -2.36177 -9.78942 -2.36177 39.2511 14.9816 -9.78937 14.9816 -12.6877 GPRESSAVG: 215600 -32.6305 -2.29103 -13.3645 -2.30501 38.3536 13.6484 -8.93238 14.4449 -12.5386 TIMING: 215600 CPU: 623.031, 0.0028746/step Wall: 623.031, 0.0028746/step, 3.82034 hours remaining, 204.664062 MB of memory in use. ENERGY: 215600 724.1096 2104.1474 1928.4931 112.5662 -206304.9587 17707.8099 0.0000 0.0000 34087.8664 -149639.9660 297.6978 -183727.8324 -149543.6838 298.6600 -46.2139 -16.4269 557220.5874 -2.3503 -2.2718 PRESSURE: 215800 326.716 -132.247 -96.371 -132.247 301.281 48.1979 -96.3718 48.197 79.5743 GPRESSURE: 215800 370.882 -185.793 -133.111 -149.497 308.711 69.4238 -24.4905 16.348 128.807 PRESSAVG: 215800 2.86977 -86.1431 -56.7744 -86.1432 17.5481 45.2695 -56.7743 45.2695 -46.1257 GPRESSAVG: 215800 3.01072 -87.7679 -55.5303 -85.8067 17.1723 46.335 -56.5285 43.9882 -45.554 TIMING: 215800 CPU: 623.61, 0.00289489/step Wall: 623.61, 0.00289489/step, 3.84714 hours remaining, 204.664062 MB of memory in use. ENERGY: 215800 716.7637 2117.3835 1908.9820 103.7237 -206616.8266 18031.1364 0.0000 0.0000 34245.4242 -149493.4131 299.0738 -183738.8373 -149401.8511 298.3361 235.8573 269.4666 555503.6621 -8.5693 -8.4570 PRESSURE: 216000 40.9876 -158.165 107.275 -158.166 -207.457 23.2222 107.275 23.2227 132.138 GPRESSURE: 216000 48.1762 -206.537 101.31 -148.09 -109.676 148.498 71.9098 -61.9946 112.151 PRESSAVG: 216000 -0.840909 -18.652 2.49879 -18.652 -28.8871 -0.894014 2.4989 -0.893975 -5.5395 GPRESSAVG: 216000 -1.45921 -18.3922 1.68696 -17.17 -28.1789 0.507757 1.85419 -2.35077 -5.69185 TIMING: 216000 CPU: 624.185, 0.00287387/step Wall: 624.185, 0.00287387/step, 3.81906 hours remaining, 204.664062 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: 216000 754.2575 2144.4410 1975.4036 112.1721 -206289.0466 17846.4298 0.0000 0.0000 34181.4743 -149274.8682 298.5153 -183456.3425 -149170.3215 299.1443 -11.4440 16.8838 556780.8798 -11.7558 -11.7767 PRESSURE: 216200 -23.6251 26.5515 -53.4365 26.5512 -217.272 -162.688 -53.4363 -162.687 -61.0033 GPRESSURE: 216200 -17.7815 28.7436 -54.8237 50.4068 -193.664 -161.13 -41.8889 -196.339 16.9478 PRESSAVG: 216200 5.57391 22.11 20.2167 22.11 43.9403 -2.31188 20.2166 -2.31187 -21.839 GPRESSAVG: 216200 5.66064 20.7202 20.9738 21.6736 45.6999 -2.2157 18.7959 -1.96131 -22.9933 TIMING: 216200 CPU: 624.762, 0.00288423/step Wall: 624.762, 0.00288423/step, 3.83266 hours remaining, 204.664062 MB of memory in use. ENERGY: 216200 748.8534 2094.2196 1928.9650 107.3899 -206426.3382 17845.2830 0.0000 0.0000 34228.7569 -149472.8703 298.9282 -183701.6272 -149371.7630 299.6837 -100.6334 -64.8327 558353.4697 9.2251 9.4557 LDB: ============= START OF LOAD BALANCING ============== 628.145 LDB: ============== END OF LOAD BALANCING =============== 628.145 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 628.147 LDB: ============= START OF LOAD BALANCING ============== 628.435 LDB: Largest compute 4820 load 0.022673 is 19.2% of average load 0.117870 LDB: Average compute 0.001712 is 1.5% of average load 0.117870 LDB: TIME 628.438 LOAD: AVG 0.11787 MAX 0.179058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.465 MB LDB: TIME 628.438 LOAD: AVG 0.11787 MAX 0.179058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.488 MB LDB: TIME 628.438 LOAD: AVG 0.11787 MAX 0.179058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.488 MB LDB: ============== END OF LOAD BALANCING =============== 628.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 628.444 PRESSURE: 216400 -339.232 81.9099 6.23841 81.9108 -150.674 -70.5137 6.23802 -70.5139 -43.9611 GPRESSURE: 216400 -314.296 146.61 28.3395 51.7814 -174.005 -127.412 -10.0207 -28.5598 48.8253 PRESSAVG: 216400 -11.61 54.8913 12.9271 54.8913 48.0377 -62.4712 12.927 -62.4712 -13.6323 GPRESSAVG: 216400 -11.5774 55.9499 12.6582 55.3982 46.4008 -65.6419 14.949 -59.3241 -12.5057 TIMING: 216400 CPU: 625.348, 0.00293215/step Wall: 625.348, 0.00293215/step, 3.89618 hours remaining, 204.167969 MB of memory in use. ENERGY: 216400 799.3640 2076.7100 1934.9159 106.2238 -206679.2299 17867.1468 0.0000 0.0000 34323.9511 -149570.9182 299.7596 -183894.8693 -149477.3032 298.3928 -177.9555 -146.4918 557814.3492 7.5985 7.4392 PRESSURE: 216600 326.561 -8.05214 -26.9095 -8.05276 -52.8386 -78.693 -26.9081 -78.6922 -8.64677 GPRESSURE: 216600 341.534 -26.7683 -35.272 -2.97466 8.35994 -34.3103 -90.896 -47.9346 11.792 PRESSAVG: 216600 38.3575 22.5108 -16.0088 22.5107 53.4034 -2.74145 -16.0088 -2.74143 -52.5047 GPRESSAVG: 216600 37.5929 21.8139 -16.8953 20.5718 53.3657 -2.83319 -15.356 -2.79329 -52.4485 TIMING: 216600 CPU: 625.922, 0.00286965/step Wall: 625.922, 0.00286965/step, 3.81297 hours remaining, 204.167969 MB of memory in use. ENERGY: 216600 737.4987 2134.0067 1944.8145 98.0897 -206618.5638 17977.8919 0.0000 0.0000 34337.5330 -149388.7294 299.8782 -183726.2624 -149297.2201 299.1863 88.3585 120.5620 556602.7124 13.0854 12.8367 PRESSURE: 216800 207.519 27.8744 80.0755 27.8739 -5.6258 -65.3325 80.0749 -65.3337 -79.8287 GPRESSURE: 216800 204.822 -70.0035 56.5512 108.004 30.0776 -79.1696 114.22 -76.0777 -19.4895 PRESSAVG: 216800 72.0449 -33.4332 0.962835 -33.4332 -23.095 17.9921 0.962769 17.9921 -28.9099 GPRESSAVG: 216800 72.7778 -34.3623 3.25572 -32.2161 -23.4518 20.4627 -0.0628847 14.8998 -29.7928 TIMING: 216800 CPU: 626.493, 0.00285337/step Wall: 626.493, 0.00285337/step, 3.79117 hours remaining, 204.167969 MB of memory in use. ENERGY: 216800 746.9615 2105.8998 1920.5635 106.2759 -206597.7112 17909.6548 0.0000 0.0000 34386.2057 -149422.1500 300.3033 -183808.3557 -149328.2733 298.5598 40.6880 71.8035 556239.8310 6.6800 6.5110 PRESSURE: 217000 65.4345 -58.1401 29.2025 -58.1416 -142.884 54.427 29.2029 54.4258 60.1488 GPRESSURE: 217000 63.9402 -22.9013 0.925174 -40.4072 -89.5874 95.4151 1.68433 58.8453 117.073 PRESSAVG: 217000 30.1574 19.8012 -26.254 19.8012 47.1135 15.7798 -26.254 15.7797 -14.6802 GPRESSAVG: 217000 28.4918 18.2332 -28.246 20.9394 47.2945 14.6654 -26.3765 18.0808 -13.5947 TIMING: 217000 CPU: 627.066, 0.0028638/step Wall: 627.066, 0.0028638/step, 3.80487 hours remaining, 204.167969 MB of memory in use. ENERGY: 217000 697.3272 2171.3601 1927.7510 116.3383 -206364.9241 17783.1956 0.0000 0.0000 34034.9753 -149633.9766 297.2359 -183668.9519 -149532.9981 298.7357 -5.7669 30.4752 556497.2569 20.8636 20.7305 PRESSURE: 217200 89.4395 -24.6483 -92.8443 -24.6485 -3.1316 -27.3057 -92.8439 -27.3056 212.622 GPRESSURE: 217200 180.023 1.80745 -128.975 -38.7766 2.71982 -73.9977 -16.2297 49.101 218.617 PRESSAVG: 217200 52.2462 3.24578 -31.1974 3.24581 -77.2507 -32.3317 -31.1973 -32.3318 -3.88408 GPRESSAVG: 217200 53.4094 6.39333 -29.576 0.231973 -76.9864 -33.1036 -32.3189 -32.7069 -5.08201 TIMING: 217200 CPU: 627.643, 0.00288384/step Wall: 627.643, 0.00288384/step, 3.83135 hours remaining, 204.167969 MB of memory in use. ENERGY: 217200 711.9950 2077.5711 1970.2327 109.8689 -206259.2685 17734.4124 0.0000 0.0000 34037.7751 -149617.4133 297.2604 -183655.1885 -149520.1830 297.3990 99.6432 133.7866 555145.7450 -9.6295 -9.5530 PRESSURE: 217400 234.163 -58.0757 -174.007 -58.0767 -226.448 -44.3302 -174.007 -44.3299 208.238 GPRESSURE: 217400 231.919 -2.90828 -211.499 -104.11 -241.154 -107.698 -84.4843 -3.31061 315.955 PRESSAVG: 217400 48.6834 1.81677 26.205 1.81668 -29.9789 -21.96 26.2052 -21.96 -23.9199 GPRESSAVG: 217400 49.1106 1.35519 24.7765 2.10694 -31.0965 -21.8721 28.6591 -20.9507 -22.6409 TIMING: 217400 CPU: 628.217, 0.00287369/step Wall: 628.217, 0.00287369/step, 3.8177 hours remaining, 204.167969 MB of memory in use. ENERGY: 217400 726.6615 2018.7747 1948.8538 112.9366 -206504.8604 17804.8140 0.0000 0.0000 34349.2276 -149543.5922 299.9803 -183892.8199 -149446.4286 297.8090 71.9846 102.2400 555337.5358 -1.7385 -1.5423 PRESSURE: 217600 -197.435 -13.5621 -7.2665 -13.5615 63.7149 -71.1164 -7.26604 -71.1167 -13.2733 GPRESSURE: 217600 -157.031 -101.002 -39.5464 -88.8294 7.78586 -121.46 55.418 -159.18 116.397 PRESSAVG: 217600 -13.5818 -9.17734 -7.51647 -9.17736 -25.0571 -12.3805 -7.51656 -12.3805 55.8651 GPRESSAVG: 217600 -13.5186 -8.41432 -7.03986 -8.37455 -23.9661 -10.3981 -9.70064 -14.8525 54.1815 TIMING: 217600 CPU: 628.798, 0.00290365/step Wall: 628.798, 0.00290365/step, 3.85734 hours remaining, 204.167969 MB of memory in use. ENERGY: 217600 755.0512 2147.0370 1936.0019 117.1604 -206401.8566 17757.3500 0.0000 0.0000 34022.7699 -149666.4862 297.1293 -183689.2561 -149572.8012 298.7338 -48.9979 -10.9491 555933.4119 5.7421 5.5656 PRESSURE: 217800 86.7616 166.41 265.521 166.408 55.208 87.9719 265.521 87.973 -119.108 GPRESSURE: 217800 161.964 170.938 263.024 144.263 87.7565 65.4589 251.929 109.748 -139.306 PRESSAVG: 217800 -13.8783 -47.5214 61.7415 -47.5213 19.5875 46.2331 61.7414 46.2331 4.79452 GPRESSAVG: 217800 -13.9299 -47.9631 64.2382 -49.2456 19.1277 44.8319 61.4114 45.0813 4.94506 TIMING: 217800 CPU: 629.377, 0.00289472/step Wall: 629.377, 0.00289472/step, 3.84531 hours remaining, 204.167969 MB of memory in use. ENERGY: 217800 750.5398 2054.4980 1940.3296 112.9318 -206327.7481 17703.9500 0.0000 0.0000 34055.6715 -149709.8274 297.4166 -183765.4989 -149615.6393 297.9481 7.6205 36.8049 555923.3127 3.5012 3.3810 PRESSURE: 218000 -62.9156 -80.9336 -136.883 -80.9348 -143.628 -87.6973 -136.884 -87.6985 -102.276 GPRESSURE: 218000 -27.6216 -79.808 -168.722 -109.497 -111.358 19.1203 -119.135 -38.8929 -66.5451 PRESSAVG: 218000 32.7342 -46.9003 5.40534 -46.9004 28.0021 41.5526 5.40532 41.5526 -82.9302 GPRESSAVG: 218000 32.206 -48.1338 2.14956 -46.4811 28.6426 41.1112 8.34469 44.7016 -83.4116 TIMING: 218000 CPU: 629.953, 0.00287873/step Wall: 629.953, 0.00287873/step, 3.82391 hours remaining, 204.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 218000 772.2257 2069.2650 1972.4182 106.6742 -206410.9387 17631.3543 0.0000 0.0000 34253.5189 -149605.4824 299.1445 -183859.0013 -149505.9686 297.6985 -102.9401 -68.5083 554774.6398 -7.3980 -7.5210 PRESSURE: 218200 -52.0464 47.5479 66.3924 47.5478 -221.141 68.1528 66.3917 68.1518 -270.448 GPRESSURE: 218200 -81.5831 25.1279 71.2778 42.4421 -155.136 68.0698 136.142 91.1796 -212.876 PRESSAVG: 218200 17.949 22.8269 25.4875 22.8269 -3.7809 -1.981 25.4876 -1.98102 11.9201 GPRESSAVG: 218200 18.352 23.6697 26.6811 22.3329 -5.63434 0.753568 24.3415 -3.12535 13.5502 TIMING: 218200 CPU: 630.519, 0.00283295/step Wall: 630.519, 0.00283295/step, 3.76294 hours remaining, 204.167969 MB of memory in use. ENERGY: 218200 735.6575 2132.0898 1927.6382 112.0400 -206314.2418 17553.7986 0.0000 0.0000 34103.2414 -149749.7764 297.8321 -183853.0178 -149651.1408 298.4394 -181.2119 -149.8648 556430.9682 8.6961 8.7559 PRESSURE: 218400 -262.273 239.305 66.3487 239.307 -22.565 77.5106 66.3483 77.5106 4.40694 GPRESSURE: 218400 -166.559 192.984 54.369 289.07 -1.04977 33.821 70.8939 138.946 -15.4251 PRESSAVG: 218400 -12.4711 8.74941 10.0093 8.74939 17.8669 -28.2415 10.0092 -28.2415 15.6966 GPRESSAVG: 218400 -12.5059 8.03807 8.77884 10.813 18.1588 -32.1487 10.0536 -27.8608 15.2428 TIMING: 218400 CPU: 631.089, 0.00285044/step Wall: 631.089, 0.00285044/step, 3.78602 hours remaining, 204.167969 MB of memory in use. ENERGY: 218400 704.8135 2073.0912 1966.6953 102.7783 -206052.7384 17596.5144 0.0000 0.0000 33997.5351 -149611.3106 296.9089 -183608.8456 -149512.9576 298.0714 -93.4770 -61.0112 555588.5302 7.0308 6.9653 PRESSURE: 218600 -23.1247 -222.124 19.8849 -222.125 -152.211 -15.2054 19.8842 -15.2052 175.136 GPRESSURE: 218600 -31.2461 -135.065 7.66662 -172.744 -138.604 -108.282 -25.0731 22.2873 269.594 PRESSAVG: 218600 -11.7615 28.5823 -1.46454 28.5823 -30.5729 41.1852 -1.46455 41.1852 19.5231 GPRESSAVG: 218600 -13.582 30.3755 -0.318402 26.5115 -30.1159 41.6377 -1.18569 42.2595 20.4603 TIMING: 218600 CPU: 631.661, 0.0028577/step Wall: 631.661, 0.0028577/step, 3.7955 hours remaining, 204.167969 MB of memory in use. ENERGY: 218600 729.8751 2154.4669 1926.4158 115.3044 -206272.6358 17792.7170 0.0000 0.0000 33647.5718 -149906.2848 293.8526 -183553.8566 -149814.0886 296.8629 -0.0666 33.2478 556795.1975 -7.6038 -7.7459 PRESSURE: 218800 -43.0506 -88.3144 82.1859 -88.3145 43.5798 -44.8463 82.1864 -44.8462 86.5517 GPRESSURE: 218800 -51.6347 -113.166 108.761 -43.8749 84.1031 -16.3526 63.6983 -56.8355 164.864 PRESSAVG: 218800 21.3884 5.39463 26.2303 5.39465 -42.0293 -32.1877 26.2303 -32.1879 24.4964 GPRESSAVG: 218800 21.1831 5.94182 26.5967 5.37774 -41.8675 -33.8267 25.0278 -31.803 24.4489 TIMING: 218800 CPU: 632.24, 0.00289577/step Wall: 632.24, 0.00289577/step, 3.84591 hours remaining, 204.167969 MB of memory in use. ENERGY: 218800 752.3030 2041.7206 2003.3798 116.5663 -206705.6121 17877.3662 0.0000 0.0000 34157.1487 -149757.1275 298.3029 -183914.2762 -149661.5216 297.0074 29.0269 65.7776 557766.0301 1.2852 1.2548 PRESSURE: 219000 93.515 32.6296 237.589 32.6308 55.9205 -92.0244 237.591 -92.0236 28.8111 GPRESSURE: 219000 147.465 -0.527915 184.83 -5.89747 105.452 -80.7142 225.144 -43.135 18.1157 PRESSAVG: 219000 -4.49371 -57.556 -49.98 -57.5559 7.19213 -4.39011 -49.98 -4.39011 -4.25372 GPRESSAVG: 219000 -3.76953 -57.5039 -51.3298 -56.8132 7.46253 -1.36973 -48.5052 -7.56369 -4.7274 TIMING: 219000 CPU: 632.816, 0.00288132/step Wall: 632.816, 0.00288132/step, 3.82655 hours remaining, 204.167969 MB of memory in use. ENERGY: 219000 750.0491 2109.0823 1955.7107 119.6332 -206869.2391 18136.1811 0.0000 0.0000 34065.4606 -149733.1222 297.5021 -183798.5828 -149632.9699 297.2883 59.4155 90.3443 557029.4128 -0.5184 -0.3448 PRESSURE: 219200 -318.15 -150.223 39.2689 -150.223 -235.297 -127.458 39.2701 -127.46 -184.456 GPRESSURE: 219200 -279.743 -214.893 -12.3895 -78.5313 -189.142 -129.967 145.131 -146.45 -167.874 PRESSAVG: 219200 43.632 -15.6845 45.2126 -15.6845 -30.088 -97.1636 45.2127 -97.1636 21.8251 GPRESSAVG: 219200 43.9009 -16.3027 47.5191 -16.6211 -30.977 -98.3991 43.0281 -95.9146 22.7 TIMING: 219200 CPU: 633.391, 0.00287401/step Wall: 633.391, 0.00287401/step, 3.81669 hours remaining, 204.167969 MB of memory in use. ENERGY: 219200 746.6390 2059.8934 1932.5788 115.9967 -206571.1075 17573.2995 0.0000 0.0000 34264.7268 -149877.9734 299.2424 -184142.7002 -149777.1773 297.4028 -245.9675 -212.2529 556672.9693 11.7897 11.8746 PRESSURE: 219400 -4.75194 25.7218 70.2317 25.7224 -305.398 98.6049 70.2328 98.605 -187.704 GPRESSURE: 219400 -23.8825 -43.5024 148.102 61.5155 -261.531 66.8034 49.3149 42.5488 -115.053 PRESSAVG: 219400 -10.5262 -10.6778 -5.12276 -10.6778 -43.4063 -21.9982 -5.12275 -21.9981 48.5275 GPRESSAVG: 219400 -11.6808 -9.89478 -6.22644 -10.0024 -42.8576 -21.7968 -2.76285 -20.7515 48.6565 TIMING: 219400 CPU: 633.967, 0.00287736/step Wall: 633.967, 0.00287736/step, 3.82098 hours remaining, 204.167969 MB of memory in use. ENERGY: 219400 748.6514 2108.6440 1935.5083 113.6857 -206339.7464 17676.1444 0.0000 0.0000 33939.8196 -149817.2929 296.4049 -183757.1125 -149718.0266 297.4495 -165.9515 -133.4890 556527.4262 -1.8017 -1.9606 PRESSURE: 219600 -112.61 73.9614 -15.2643 73.9635 -97.4656 -123.032 -15.2653 -123.034 -45.8766 GPRESSURE: 219600 -52.2513 116.666 90.4365 -3.94473 -72.3665 -149.114 -119.295 -101.532 -25.9436 PRESSAVG: 219600 91.982 1.94628 32.4374 1.94626 -19.3822 -18.2223 32.4375 -18.2224 -54.9865 GPRESSAVG: 219600 92.9858 -0.016797 32.5242 2.93042 -19.5421 -16.8721 31.188 -17.7901 -56.2652 TIMING: 219600 CPU: 634.546, 0.00289493/step Wall: 634.546, 0.00289493/step, 3.84414 hours remaining, 204.167969 MB of memory in use. ENERGY: 219600 788.8518 2068.7617 1954.2090 120.2951 -206722.1009 17805.5119 0.0000 0.0000 34182.2939 -149802.1774 298.5225 -183984.4713 -149704.7705 297.0445 -85.3175 -50.1871 556573.5648 5.8711 5.7262 PRESSURE: 219800 159.926 9.29865 -224.126 9.29743 8.74107 -48.1518 -224.125 -48.153 -213.045 GPRESSURE: 219800 206.879 -18.7505 -226.169 70.4389 38.9331 -73.4926 -186.461 -17.5407 -184.461 PRESSAVG: 219800 55.2013 5.32622 30.9568 5.32617 19.5964 -36.105 30.9568 -36.1051 -82.6171 GPRESSAVG: 219800 54.5783 5.86903 30.9147 5.54021 19.7011 -36.4574 29.3318 -36.7052 -82.5094 TIMING: 219800 CPU: 635.123, 0.002885/step Wall: 635.123, 0.002885/step, 3.8308 hours remaining, 204.167969 MB of memory in use. ENERGY: 219800 737.4936 2124.4209 1959.6031 115.3211 -206722.7042 17803.1930 0.0000 0.0000 34073.8161 -149908.8564 297.5751 -183982.6725 -149813.0126 296.7289 -14.7926 20.4501 554737.0447 -2.6064 -2.7433 PRESSURE: 220000 -297.365 34.2939 -77.4841 34.2946 100.336 82.5967 -77.485 82.5953 98.4347 GPRESSURE: 220000 -258.641 3.96218 -61.8817 50.0734 157.821 20.7755 -36.7056 39.0531 108.168 PRESSAVG: 220000 100.203 16.2914 11.6471 16.2913 -43.6515 -38.1601 11.6471 -38.1602 -34.5455 GPRESSAVG: 220000 100.573 17.2585 11.4632 15.1891 -43.5737 -39.3295 12.8144 -38.0461 -35.5117 TIMING: 220000 CPU: 635.695, 0.00286228/step Wall: 635.695, 0.00286228/step, 3.80047 hours remaining, 204.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 220000 776.3130 2062.2093 1939.2218 107.6010 -206421.3576 17878.8919 0.0000 0.0000 33961.0369 -149696.0838 296.5902 -183657.1207 -149597.4264 297.7891 -32.8646 2.4495 556304.4331 7.3353 7.1626 PRESSURE: 220200 8.73303 -14.1157 32.0346 -14.1174 -223.384 30.0552 32.0341 30.0549 -230.885 GPRESSURE: 220200 -9.77356 20.0992 -30.9958 -17.0888 -172.281 55.5892 103.265 -4.27143 -158.339 PRESSAVG: 220200 21.9298 2.35824 4.43933 2.35829 -47.2074 -5.684 4.43947 -5.68393 -5.16064 GPRESSAVG: 220200 21.2132 2.19877 5.219 3.10126 -47.5654 -6.30437 5.43278 -5.26008 -4.07836 TIMING: 220200 CPU: 636.272, 0.00288392/step Wall: 636.272, 0.00288392/step, 3.82904 hours remaining, 204.285156 MB of memory in use. ENERGY: 220200 717.4148 2074.0030 1950.5777 124.0805 -206690.1637 17702.8583 0.0000 0.0000 34388.9306 -149732.2988 300.3271 -184121.2294 -149623.3717 297.3997 -148.5120 -113.4648 557822.4659 -10.1461 -10.1435 LDB: ============= START OF LOAD BALANCING ============== 639.658 LDB: ============== END OF LOAD BALANCING =============== 639.658 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 639.659 LDB: ============= START OF LOAD BALANCING ============== 639.951 LDB: Largest compute 4820 load 0.024070 is 20.4% of average load 0.117770 LDB: Average compute 0.001711 is 1.5% of average load 0.117770 LDB: TIME 639.953 LOAD: AVG 0.11777 MAX 0.182464 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.938 MB LDB: TIME 639.954 LOAD: AVG 0.11777 MAX 0.182464 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.137 MB LDB: TIME 639.954 LOAD: AVG 0.11777 MAX 0.182464 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 639.956 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 639.96 PRESSURE: 220400 -37.2538 -92.3952 -66.0952 -92.3959 -92.2181 -134.629 -66.0941 -134.626 -146.345 GPRESSURE: 220400 24.9403 -50.5384 -23.0553 -107.504 -90.3141 -97.6025 -104.947 -172.065 -108.793 PRESSAVG: 220400 49.7803 0.153537 -24.1132 0.153545 1.49581 -44.8157 -24.1132 -44.8157 -34.5087 GPRESSAVG: 220400 51.3352 -1.79089 -24.2881 0.817707 0.412258 -44.4976 -24.4879 -46.3257 -35.2152 TIMING: 220400 CPU: 636.864, 0.00296106/step Wall: 636.864, 0.00296106/step, 3.9313 hours remaining, 204.937500 MB of memory in use. ENERGY: 220400 738.8518 2089.5646 1967.9848 105.8426 -206522.8761 17731.0037 0.0000 0.0000 34210.9115 -149678.7171 298.7724 -183889.6286 -149581.8084 297.9483 -91.9390 -58.0555 558000.5878 5.5891 5.5107 PRESSURE: 220600 -50.1592 -113.361 -38.8224 -113.362 25.9729 19.3246 -38.8223 19.3246 61.8383 GPRESSURE: 220600 5.73254 -121.927 3.23717 -193.205 28.1238 69.0845 -116.568 -2.76945 96.0771 PRESSAVG: 220600 15.5981 -37.7667 -3.41681 -37.7668 31.8945 10.4876 -3.4168 10.4875 -40.04 GPRESSAVG: 220600 14.3566 -35.5328 -4.30656 -39.4041 32.3436 10.2378 -2.04428 11.5088 -39.2756 TIMING: 220600 CPU: 637.438, 0.00286745/step Wall: 637.438, 0.00286745/step, 3.80685 hours remaining, 205.195312 MB of memory in use. ENERGY: 220600 758.8089 2065.3419 1974.1190 120.3143 -206707.0153 17946.0179 0.0000 0.0000 34072.5666 -149769.8468 297.5642 -183842.4134 -149671.7374 297.8493 12.5507 43.3112 556967.3457 2.4842 2.4749 PRESSURE: 220800 -6.42386 52.1301 -36.2592 52.1305 -122.716 -57.6428 -36.2593 -57.6443 18.5027 GPRESSURE: 220800 18 22.3062 -28.7718 -52.3492 -76.8384 39.6029 -28.1451 -57.8372 50.2604 PRESSAVG: 220800 57.9786 -29.7325 17.1561 -29.7325 -9.24106 20.3934 17.1561 20.3933 -1.04178 GPRESSAVG: 220800 56.5534 -30.7631 19.1027 -29.6064 -7.18634 19.8474 17.7678 20.1747 -1.87714 TIMING: 220800 CPU: 638.015, 0.0028876/step Wall: 638.015, 0.0028876/step, 3.83344 hours remaining, 205.195312 MB of memory in use. ENERGY: 220800 761.8702 2147.5895 1947.5996 136.6876 -206730.1213 17704.7494 0.0000 0.0000 34280.3550 -149751.2699 299.3789 -184031.6249 -149654.7637 297.8102 -36.8789 -2.8593 555123.3096 15.8986 15.8300 PRESSURE: 221000 62.8297 -109.954 -60.0147 -109.955 -70.6116 151.122 -60.0154 151.122 -303.178 GPRESSURE: 221000 46.537 -104.929 4.11398 -77.5827 -6.30625 59.0845 -158.028 90.4058 -255.343 PRESSAVG: 221000 -1.09737 8.31855 -9.59816 8.31859 -3.23808 9.11834 -9.59824 9.1183 -11.5342 GPRESSAVG: 221000 0.255204 7.48316 -11.0673 10.2819 -4.14022 7.88809 -10.5099 8.58066 -12.1665 TIMING: 221000 CPU: 638.593, 0.00289007/step Wall: 638.593, 0.00289007/step, 3.83657 hours remaining, 205.453125 MB of memory in use. ENERGY: 221000 763.6170 2058.1244 1950.5777 118.8809 -206409.6710 17669.5265 0.0000 0.0000 34167.4945 -149681.4500 298.3932 -183848.9445 -149590.8916 298.0819 -103.6534 -71.7040 556746.4373 -5.2899 -5.3505 PRESSURE: 221200 -54.7372 96.9167 -50.0188 96.9161 137.602 -53.6762 -50.0186 -53.678 9.0164 GPRESSURE: 221200 9.48256 5.22387 -126.697 59.4696 219.137 -27.7218 2.13346 -68.9658 -39.1288 PRESSAVG: 221200 66.2258 21.9998 -15.643 21.9998 -21.0839 42.7643 -15.6431 42.7644 -60.6777 GPRESSAVG: 221200 66.293 22.8836 -15.2296 18.4587 -21.0409 44.6643 -14.8088 43.4827 -60.4155 TIMING: 221200 CPU: 639.171, 0.00289098/step Wall: 639.171, 0.00289098/step, 3.83761 hours remaining, 205.453125 MB of memory in use. ENERGY: 221200 786.5481 2094.0190 1967.8309 116.7326 -206869.5626 17898.4902 0.0000 0.0000 34032.1204 -149973.8215 297.2110 -184005.9419 -149875.3827 297.7989 30.6272 63.1636 556022.2884 -5.1786 -5.0545 PRESSURE: 221400 -293.776 108.887 54.1777 108.887 -18.3962 -35.9652 54.1778 -35.9661 110.578 GPRESSURE: 221400 -242.202 40.9995 34.6656 147.135 -25.6892 -90.4138 57.7351 42.9138 164.092 PRESSAVG: 221400 -39.1657 10.3107 -31.6911 10.3106 42.5601 27.066 -31.6911 27.0661 -21.6569 GPRESSAVG: 221400 -39.0135 9.8071 -32.2051 12.0896 41.8452 25.2408 -30.8439 27.5859 -21.1686 TIMING: 221400 CPU: 639.748, 0.00288261/step Wall: 639.748, 0.00288261/step, 3.82635 hours remaining, 205.453125 MB of memory in use. ENERGY: 221400 743.7696 2037.4623 1949.8826 106.8207 -206698.6560 17778.5009 0.0000 0.0000 34066.0135 -150016.2065 297.5070 -184082.2201 -149917.6208 297.2167 -67.1981 -34.5996 556880.7750 -6.0875 -6.1123 PRESSURE: 221600 -24.716 3.1558 45.8003 3.15722 36.5487 46.9921 45.8024 46.9919 334.487 GPRESSURE: 221600 50.0557 -72.7832 61.4274 56.7679 72.0412 24.4358 -1.20144 36.5176 322.513 PRESSAVG: 221600 14.3737 36.7512 5.30691 36.7513 -17.1144 23.458 5.30687 23.4579 23.2467 GPRESSAVG: 221600 14.7477 35.8397 5.15238 39.0187 -17.7054 26.4404 3.72842 21.4253 23.2647 TIMING: 221600 CPU: 640.327, 0.00289345/step Wall: 640.327, 0.00289345/step, 3.84058 hours remaining, 205.453125 MB of memory in use. ENERGY: 221600 737.9261 2105.4095 1911.9240 110.3262 -206708.6876 17960.2409 0.0000 0.0000 34104.8782 -149777.9827 297.8464 -183882.8609 -149684.9225 298.2111 115.4398 148.2032 556689.5992 6.8353 6.7690 PRESSURE: 221800 79.2002 -193.171 0.428616 -193.172 -259.135 81.3903 0.42841 81.3887 -298.572 GPRESSURE: 221800 96.1559 -225.977 -69.9478 -82.1923 -209.617 15.0931 11.3611 62.7113 -269.894 PRESSAVG: 221800 24.7516 -31.5742 34.0516 -31.5742 -13.2249 -76.8557 34.0516 -76.8556 4.93185 GPRESSAVG: 221800 23.9158 -31.7732 34.9759 -33.5996 -11.8331 -78.0683 34.681 -76.2452 4.17171 TIMING: 221800 CPU: 640.904, 0.00288712/step Wall: 640.904, 0.00288712/step, 3.83201 hours remaining, 205.453125 MB of memory in use. ENERGY: 221800 679.6549 2059.9804 1932.6692 111.7872 -206017.0594 17339.4509 0.0000 0.0000 34192.7183 -149700.7986 298.6135 -183893.5168 -149605.2754 297.7012 -159.5024 -127.7852 556911.7620 5.4862 5.4182 PRESSURE: 222000 137.95 22.073 -93.6609 22.0727 -106.144 -55.6532 -93.6623 -55.653 77.1572 GPRESSURE: 222000 202.117 -32.7562 -170.832 24.3155 -140.345 -29.7236 -20.9769 -121.705 150.784 PRESSAVG: 222000 0.291663 31.5937 5.47505 31.5937 -21.5323 1.48577 5.47502 1.48582 39.6909 GPRESSAVG: 222000 0.434171 32.1594 2.7333 31.7027 -21.8253 1.09218 5.77188 3.48798 39.8842 TIMING: 222000 CPU: 641.481, 0.00288667/step Wall: 641.481, 0.00288667/step, 3.83125 hours remaining, 205.453125 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: 222000 743.4834 2111.8493 1925.0322 120.3282 -206604.9825 17798.2200 0.0000 0.0000 34201.8960 -149704.1732 298.6937 -183906.0693 -149610.1550 297.9562 36.3208 70.8522 556783.1817 6.1501 6.1644 PRESSURE: 222200 280.778 9.05572 -90.5329 9.05562 285.504 86.9444 -90.5336 86.9444 -97.5555 GPRESSURE: 222200 261.377 -55.6511 -82.9149 85.5504 349.056 30.0574 -77.4686 156.772 -37.4082 PRESSAVG: 222200 5.6414 28.144 -69.0083 28.144 37.8979 -4.66465 -69.0084 -4.66472 -44.9434 GPRESSAVG: 222200 5.30817 28.1012 -66.5451 29.5233 38.8201 -5.87964 -71.2996 -4.51503 -46.0326 TIMING: 222200 CPU: 642.053, 0.00285671/step Wall: 642.053, 0.00285671/step, 3.79134 hours remaining, 205.453125 MB of memory in use. ENERGY: 222200 763.6348 2062.5475 1954.2745 119.6494 -207327.9012 18163.1665 0.0000 0.0000 34493.6450 -149770.9835 301.2416 -184264.6285 -149677.4606 297.8559 156.2419 191.0083 556457.0444 -0.4680 -0.6348 PRESSURE: 222400 -27.7011 47.2019 32.0671 47.202 112.871 -165.409 32.0658 -165.409 144.822 GPRESSURE: 222400 31.604 -24.7873 2.72075 70.642 164.659 -122.944 52.7418 -114.64 131.03 PRESSAVG: 222400 -13.3565 13.3171 0.24956 13.3171 -7.92898 11.5192 0.249531 11.5193 26.342 GPRESSAVG: 222400 -12.8291 15.6463 -1.11547 12.5451 -9.54618 11.7615 0.976064 10.9992 27.6888 TIMING: 222400 CPU: 642.628, 0.00287458/step Wall: 642.628, 0.00287458/step, 3.81488 hours remaining, 205.453125 MB of memory in use. ENERGY: 222400 730.8360 2068.4385 1935.2663 116.4004 -206914.2385 18078.0392 0.0000 0.0000 34068.7602 -149916.4980 297.5310 -183985.2581 -149819.0295 298.5085 76.6638 109.0975 555977.9906 1.6855 1.7712 PRESSURE: 222600 -70.7307 -13.5167 42.3673 -13.5189 -44.7722 100.362 42.3681 100.362 -159.013 GPRESSURE: 222600 -43.1691 63.2037 44.4833 -3.91908 -11.859 172.289 49.7443 96.545 -125.844 PRESSAVG: 222600 18.369 18.7285 -64.8867 18.7286 23.2482 -28.2823 -64.8867 -28.2825 27.7937 GPRESSAVG: 222600 18.0597 15.5773 -65.1051 20.1003 24.2297 -25.3905 -65.6594 -30.0164 27.5379 TIMING: 222600 CPU: 643.2, 0.0028618/step Wall: 643.2, 0.0028618/step, 3.79776 hours remaining, 205.453125 MB of memory in use. ENERGY: 222600 734.5191 2102.4218 1955.8032 113.7661 -206354.9074 17697.8988 0.0000 0.0000 33978.2469 -149772.2514 296.7405 -183750.4983 -149674.1759 297.6416 -91.5054 -60.2908 557795.2543 23.1370 23.2758 PRESSURE: 222800 -292.438 -64.3728 74.6101 -64.3737 -304.602 -119.165 74.6107 -119.167 -91.361 GPRESSURE: 222800 -170.067 -222.462 86.8211 -17.8373 -281.98 -124.021 119.463 -112.792 -141.965 PRESSAVG: 222800 -0.900217 -2.39932 -15.996 -2.39931 -38.484 -0.965383 -15.9962 -0.965268 14.8033 GPRESSAVG: 222800 -0.814251 -2.27891 -15.8201 -2.65745 -38.7334 -2.3431 -15.0122 0.0433475 14.7196 TIMING: 222800 CPU: 643.772, 0.00286178/step Wall: 643.772, 0.00286178/step, 3.79758 hours remaining, 205.453125 MB of memory in use. ENERGY: 222800 762.1242 2036.4100 1967.0576 111.2660 -206224.7028 17531.6321 0.0000 0.0000 34003.6072 -149812.6057 296.9620 -183816.2130 -149723.9233 298.4415 -229.4669 -198.0039 558224.5387 -8.1936 -8.2760 PRESSURE: 223000 54.2686 -31.7797 -25.915 -31.7788 70.7738 71.4351 -25.915 71.4349 145.263 GPRESSURE: 223000 138.813 25.2666 -18.408 -13.627 78.7961 6.34819 -10.9628 71.953 160.964 PRESSAVG: 223000 -8.36447 -23.7395 83.9106 -23.7394 -31.0617 53.6404 83.9106 53.6405 33.4196 GPRESSAVG: 223000 -8.26189 -22.5028 82.766 -25.4876 -31.1735 54.2586 86.2989 52.7602 33.5868 TIMING: 223000 CPU: 644.347, 0.00287248/step Wall: 644.347, 0.00287248/step, 3.81162 hours remaining, 205.453125 MB of memory in use. ENERGY: 223000 741.2447 2097.5573 1948.5531 110.8122 -206828.5504 17974.4419 0.0000 0.0000 34052.7293 -149903.2118 297.3910 -183955.9411 -149806.9936 297.6757 90.1016 126.1908 555383.4815 -2.0022 -1.9495 PRESSURE: 223200 -26.392 43.1699 149.895 43.1707 224.799 -64.2124 149.895 -64.2111 29.2661 GPRESSURE: 223200 -7.79419 -41.9116 59.2072 46.2929 292.381 -82.69 116.587 1.72997 57.6551 PRESSAVG: 223200 -54.4534 41.8189 46.9341 41.8189 51.1248 15.6451 46.9342 15.6452 22.8764 GPRESSAVG: 223200 -54.1192 43.6189 52.2452 39.9268 51.758 14.6378 41.4094 18.6957 21.8098 TIMING: 223200 CPU: 644.918, 0.00285853/step Wall: 644.918, 0.00285853/step, 3.79295 hours remaining, 205.656250 MB of memory in use. ENERGY: 223200 763.4288 2090.3297 1953.6386 102.1608 -207261.1645 18076.5145 0.0000 0.0000 34346.9023 -149928.1897 299.9600 -184275.0921 -149838.6645 297.7352 75.8910 114.0807 556202.0656 6.5159 6.4829 PRESSURE: 223400 74.0825 -5.81666 66.5017 -5.8171 -51.133 -148.241 66.5004 -148.239 50.1024 GPRESSURE: 223400 108.394 -31.2347 77.6763 35.3826 -9.83551 -142.906 78.6789 -167.831 76.3006 PRESSAVG: 223400 -23.683 21.9178 72.9478 21.9178 65.6737 -51.0046 72.9477 -51.0045 -20.3619 GPRESSAVG: 223400 -23.9768 22.6789 68.4311 25.0563 65.427 -50.5196 77.0912 -53.7385 -20.1929 TIMING: 223400 CPU: 645.49, 0.00285785/step Wall: 645.49, 0.00285785/step, 3.79189 hours remaining, 205.656250 MB of memory in use. ENERGY: 223400 700.5392 2068.4584 1947.8930 119.4284 -207086.3673 18191.9249 0.0000 0.0000 33974.7541 -150083.3693 296.7100 -184058.1234 -149977.1923 297.2580 24.3506 58.2864 557489.2818 7.2096 7.0858 PRESSURE: 223600 187.683 -38.3954 -48.0385 -38.3972 139.839 -13.4116 -48.039 -13.412 -39.2725 GPRESSURE: 223600 234.341 -51.0686 -39.2927 -106.539 203.759 -28.7707 16.9919 -7.3165 -60.6582 PRESSAVG: 223600 14.7753 -19.4613 33.5973 -19.4613 18.241 16.5922 33.5973 16.5921 19.8384 GPRESSAVG: 223600 13.991 -20.2365 35.5839 -18.2079 18.6817 15.5642 30.7336 18.1881 19.9675 TIMING: 223600 CPU: 646.063, 0.00286704/step Wall: 646.063, 0.00286704/step, 3.80393 hours remaining, 205.656250 MB of memory in use. ENERGY: 223600 759.9781 2039.4383 1940.0505 132.6147 -207070.7694 18129.3052 0.0000 0.0000 34111.5709 -149957.8117 297.9048 -184069.3826 -149865.2680 297.2588 96.0834 125.8138 556338.1459 17.6182 17.5467 PRESSURE: 223800 -60.3062 -21.2921 37.0717 -21.2922 92.8038 -131.981 37.0728 -131.981 109.104 GPRESSURE: 223800 -22.2799 92.7905 54.478 -89.2738 131.564 -177.009 -35.691 -87.964 116.02 PRESSAVG: 223800 52.2502 -8.70133 74.6651 -8.70129 34.9144 11.0893 74.6651 11.0893 -35.3117 GPRESSAVG: 223800 53.5525 -9.38999 72.1847 -9.04447 33.6632 12.1125 75.2214 9.14076 -35.3151 TIMING: 223800 CPU: 646.636, 0.00286377/step Wall: 646.636, 0.00286377/step, 3.79943 hours remaining, 205.656250 MB of memory in use. ENERGY: 223800 714.0134 2048.4405 1932.0251 107.3701 -206546.3857 17730.7369 0.0000 0.0000 34089.5800 -149924.2196 297.7128 -184013.7996 -149827.4958 297.0853 47.2006 75.1015 555949.1584 17.2843 17.3002 PRESSURE: 224000 -216.692 -153.536 139.28 -153.534 -52.9589 -7.96787 139.281 -7.96769 -89.0296 GPRESSURE: 224000 -205.283 -149.664 119.429 -226.36 -2.56046 59.211 188.489 -57.859 -48.5052 PRESSAVG: 224000 97.7667 20.8527 94.2065 20.8528 -3.64974 -6.09301 94.2067 -6.09291 -49.2195 GPRESSAVG: 224000 97.6549 23.8251 96.0755 18.8528 -3.15729 -6.21192 93.4989 -6.01127 -48.6606 TIMING: 224000 CPU: 647.212, 0.00288026/step Wall: 647.212, 0.00288026/step, 3.82115 hours remaining, 205.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 224000 768.7432 2059.0816 1975.6406 109.1043 -207018.0883 17941.2677 0.0000 0.0000 34097.9554 -150066.2955 297.7859 -184164.2509 -149972.1297 297.3389 -119.5601 -85.4494 555354.0209 14.9658 15.2790 PRESSURE: 224200 41.935 -83.466 136.782 -83.4658 -84.5825 -80.2223 136.783 -80.2211 -167.816 GPRESSURE: 224200 59.7411 -12.7231 80.6197 -128.712 -60.8493 -116.039 94.2758 -32.6011 -114.484 PRESSAVG: 224200 6.48695 3.41061 50.909 3.41057 -33.3389 -25.0744 50.9089 -25.0743 5.13616 GPRESSAVG: 224200 4.54158 0.453485 50.1452 3.50451 -32.3592 -24.3884 52.3094 -23.8002 5.93268 TIMING: 224200 CPU: 647.787, 0.00287469/step Wall: 647.787, 0.00287469/step, 3.81359 hours remaining, 205.656250 MB of memory in use. ENERGY: 224200 707.5312 2087.2056 1922.5094 121.5812 -206564.2457 17750.3383 0.0000 0.0000 33938.5433 -150036.5367 296.3937 -183975.0801 -149945.6920 297.3214 -70.1544 -38.5306 555068.8951 -7.2386 -7.2950 LDB: ============= START OF LOAD BALANCING ============== 651.171 LDB: ============== END OF LOAD BALANCING =============== 651.171 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 651.172 LDB: ============= START OF LOAD BALANCING ============== 651.462 LDB: Largest compute 4822 load 0.022699 is 19.3% of average load 0.117893 LDB: Average compute 0.001709 is 1.4% of average load 0.117893 LDB: TIME 651.464 LOAD: AVG 0.117893 MAX 0.179886 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.141 MB LDB: TIME 651.465 LOAD: AVG 0.117893 MAX 0.179886 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.215 MB LDB: TIME 651.465 LOAD: AVG 0.117893 MAX 0.179886 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.215 MB LDB: ============== END OF LOAD BALANCING =============== 651.467 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 651.471 PRESSURE: 224400 22.7262 48.6304 76.9323 48.6305 -61.7508 -57.7429 76.9333 -57.7427 227.778 GPRESSURE: 224400 123.429 75.3993 59.8116 7.98587 -58.0558 -15.1618 138.913 -105.533 210.321 PRESSAVG: 224400 -6.34997 -12.8853 69.5792 -12.8853 -9.13313 -33.8957 69.5791 -33.8957 13.1491 GPRESSAVG: 224400 -6.52753 -12.1092 69.9312 -13.7939 -8.9142 -35.2926 69.443 -36.0447 12.7212 TIMING: 224400 CPU: 648.375, 0.0029398/step Wall: 648.375, 0.0029398/step, 3.89981 hours remaining, 203.656250 MB of memory in use. ENERGY: 224400 779.5651 2084.6186 1946.7352 98.7048 -206991.7576 17992.3577 0.0000 0.0000 34066.0488 -150023.7274 297.5073 -184089.7763 -149931.8176 296.3307 62.9178 91.8979 555342.7928 -0.7780 -0.9068 PRESSURE: 224600 -38.4865 -104.685 163.607 -104.685 -253.385 83.2989 163.609 83.3004 -44.8527 GPRESSURE: 224600 -20.9397 -172.027 87.1776 -57.8683 -260.547 118.34 136.398 168.682 36.2136 PRESSAVG: 224600 -60.5298 -2.8685 -12.9567 -2.86844 -14.0312 15.4077 -12.9566 15.4078 81.0253 GPRESSAVG: 224600 -59.1429 -2.97231 -12.7582 -2.27642 -15.0026 16.1639 -13.3082 16.8938 80.5438 TIMING: 224600 CPU: 648.948, 0.00286679/step Wall: 648.948, 0.00286679/step, 3.8028 hours remaining, 203.656250 MB of memory in use. ENERGY: 224600 752.6935 2047.4588 1931.5689 96.3805 -206505.7105 17772.2323 0.0000 0.0000 33937.1179 -149968.2586 296.3813 -183905.3764 -149867.5172 296.7139 -112.2415 -81.7577 556826.0279 2.1547 2.1328 PRESSURE: 224800 105.234 66.7234 -53.629 66.7237 -235.967 98.4909 -53.6288 98.4918 -191.136 GPRESSURE: 224800 158.376 88.1841 -104.226 131.111 -211.057 171.176 -37.4057 44.123 -182.562 PRESSAVG: 224800 53.1484 -31.2532 -11.1664 -31.2531 -11.1905 0.0308588 -11.1663 0.0309985 -8.70558 GPRESSAVG: 224800 53.1746 -32.6985 -12.181 -28.929 -11.0546 1.60367 -11.6472 -0.511816 -8.45061 TIMING: 224800 CPU: 649.525, 0.00288009/step Wall: 649.525, 0.00288009/step, 3.82028 hours remaining, 203.656250 MB of memory in use. ENERGY: 224800 739.0130 2071.5126 1916.0648 99.0982 -206664.7150 17872.7583 0.0000 0.0000 34064.9970 -149901.2710 297.4981 -183966.2680 -149804.9642 297.3403 -107.2898 -78.4144 556934.5628 11.0841 11.2231 PRESSURE: 225000 -162.435 -6.8783 -51.0961 -6.87839 -275.018 -34.6205 -51.0976 -34.6183 -262.364 GPRESSURE: 225000 -98.6833 3.9183 -9.32974 34.0699 -239.724 -32.5319 -118.431 -84.795 -265.595 PRESSAVG: 225000 24.9434 0.531712 10.5457 0.531814 19.9705 5.85847 10.5458 5.85843 -16.8661 GPRESSAVG: 225000 24.5558 1.58928 12.6892 -0.696385 19.9534 5.58172 8.44291 4.80698 -16.327 TIMING: 225000 CPU: 650.102, 0.00288513/step Wall: 650.102, 0.00288513/step, 3.82681 hours remaining, 203.656250 MB of memory in use. ENERGY: 225000 778.8998 2077.8452 1932.4987 111.2779 -206338.3708 17495.0638 0.0000 0.0000 34113.9402 -149828.8452 297.9255 -183942.7855 -149728.0695 297.7787 -233.2721 -201.3342 555895.4166 9.3493 9.3941 PRESSURE: 225200 -106.932 -23.8855 34.7465 -23.8848 173.838 -15.6094 34.7471 -15.61 189.001 GPRESSURE: 225200 -69.0904 85.0419 5.39378 -40.9486 209.804 -72.6902 28.675 43.4138 202.636 PRESSAVG: 225200 -21.6357 10.3436 18.2871 10.3436 94.9204 9.90898 18.2871 9.90896 -79.2108 GPRESSAVG: 225200 -21.5532 12.983 15.7375 9.32653 94.0036 10.2756 21.0839 11.0589 -78.0663 TIMING: 225200 CPU: 650.677, 0.00287544/step Wall: 650.677, 0.00287544/step, 3.81379 hours remaining, 203.656250 MB of memory in use. ENERGY: 225200 724.3534 2110.5588 1933.8510 111.6462 -206683.5004 17916.9645 0.0000 0.0000 34187.3971 -149698.7295 298.5670 -183886.1265 -149607.5313 297.5256 85.3022 114.4498 557027.3639 -1.9754 -1.8720 PRESSURE: 225400 -155.2 -61.4682 -184.952 -61.4688 -162.312 13.7598 -184.952 13.7602 -53.902 GPRESSURE: 225400 -163.61 -55.7688 -188.614 11.8803 -143.26 -105.447 -170.729 99.6339 36.6164 PRESSAVG: 225400 -63.4929 53.8691 -16.4643 53.8691 47.8397 28.548 -16.4643 28.5481 8.89427 GPRESSAVG: 225400 -62.5338 48.4269 -17.4113 56.7615 47.677 28.51 -16.3341 29.043 8.19813 TIMING: 225400 CPU: 651.251, 0.00287315/step Wall: 651.251, 0.00287315/step, 3.81059 hours remaining, 203.656250 MB of memory in use. ENERGY: 225400 740.4504 2055.8808 1953.0807 115.1364 -206454.2485 17579.4587 0.0000 0.0000 34267.9850 -149742.2565 299.2708 -184010.2415 -149641.2123 297.5112 -123.8046 -90.0844 556551.8282 -2.2530 -2.2195 PRESSURE: 225600 -148.19 -83.9216 50.3954 -83.9226 -146.7 -1.46168 50.3955 -1.46199 -15.2813 GPRESSURE: 225600 -101.021 -95.3688 51.3623 -77.9327 -71.8324 -25.7693 -23.3933 30.1491 -31.4574 PRESSAVG: 225600 -9.24645 20.0669 -26.6854 20.0669 48.6219 -5.9027 -26.6854 -5.90272 27.8285 GPRESSAVG: 225600 -11.0736 22.4692 -24.3419 18.3149 49.9215 -7.01108 -27.4991 -4.77326 28.0004 TIMING: 225600 CPU: 651.83, 0.0028937/step Wall: 651.83, 0.0028937/step, 3.83769 hours remaining, 203.914062 MB of memory in use. ENERGY: 225600 713.2123 2124.7743 1912.3046 123.1735 -206110.8042 17364.2749 0.0000 0.0000 34118.1128 -149754.9519 297.9620 -183873.0646 -149658.4607 297.6808 -103.3905 -68.1037 556027.4434 22.4013 22.2828 PRESSURE: 225800 -125.516 257.786 39.3218 257.786 -135.807 113.478 39.3223 113.479 -133.268 GPRESSURE: 225800 -91.0149 184.287 -49.063 280.726 -145.145 153.225 14.5002 107.011 -61.3969 PRESSAVG: 225800 -43.7927 12.5214 -51.2948 12.5215 -42.649 41.702 -51.2948 41.7021 83.5818 GPRESSAVG: 225800 -41.7452 10.8457 -50.8122 12.982 -43.3357 40.9715 -52.1439 43.9922 82.6088 TIMING: 225800 CPU: 652.409, 0.00289462/step Wall: 652.409, 0.00289462/step, 3.83875 hours remaining, 203.914062 MB of memory in use. ENERGY: 225800 728.8567 2083.6803 1921.4705 115.2556 -205789.6009 17476.7948 0.0000 0.0000 33909.5341 -149554.0089 296.1404 -183463.5430 -149461.3756 297.7925 -131.5301 -99.1856 557318.0305 -0.9533 -0.8240 PRESSURE: 226000 -81.8843 38.9805 7.44001 38.9803 -375.041 45.8773 7.43972 45.8789 -38.481 GPRESSURE: 226000 -27.303 -39.086 80.7427 -20.7646 -364.805 65.0518 -22.8017 -56.0006 3.47198 PRESSAVG: 226000 42.2955 -0.0761271 0.336003 -0.0761244 -11.1435 24.1324 0.33603 24.1323 5.41841 GPRESSAVG: 226000 41.3454 -0.556394 -1.2939 0.834772 -10.4105 26.8565 1.88792 20.1211 6.15304 TIMING: 226000 CPU: 652.989, 0.00289821/step Wall: 652.989, 0.00289821/step, 3.84335 hours remaining, 203.914062 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: 226000 773.6232 2005.9312 1956.3340 112.1167 -206370.3239 17820.6546 0.0000 0.0000 34096.7779 -149604.8864 297.7756 -183701.6642 -149506.4990 298.0551 -165.1355 -129.5454 558143.0073 12.1901 12.3626 PRESSURE: 226200 -147.474 158.8 -128.346 158.801 -31.0372 -176.789 -128.346 -176.788 34.4859 GPRESSURE: 226200 -88.3744 163.076 -182.327 102.888 -39.3236 -184.871 -119.371 -165.12 76.5835 PRESSAVG: 226200 -5.81525 -28.1538 -35.0871 -28.1537 -28.6416 -6.17023 -35.0871 -6.17027 21.9574 GPRESSAVG: 226200 -5.88043 -25.675 -34.9538 -32.1508 -29.1579 -7.70874 -35.126 -4.08115 22.1801 TIMING: 226200 CPU: 653.574, 0.00292483/step Wall: 653.574, 0.00292483/step, 3.87849 hours remaining, 203.914062 MB of memory in use. ENERGY: 226200 744.7609 2046.4756 1952.0804 113.6947 -206607.5412 17794.7570 0.0000 0.0000 34230.8510 -149724.9215 298.9465 -183955.7725 -149627.6514 297.7637 -48.0085 -17.0382 556232.2166 -4.1665 -4.2861 PRESSURE: 226400 -107.499 32.5482 146.412 32.5496 6.46681 -75.2344 146.412 -75.2357 -174.535 GPRESSURE: 226400 -45.2162 15.2021 97.3489 33.5958 34.7486 -82.2247 223.998 -61.1178 -158.59 PRESSAVG: 226400 -18.9793 20.1713 26.5016 20.1714 -6.21861 33.3924 26.5016 33.3923 5.19892 GPRESSAVG: 226400 -17.9215 18.2347 26 22.5689 -6.17249 33.1143 26.7301 32.7055 4.91135 TIMING: 226400 CPU: 654.154, 0.00290386/step Wall: 654.154, 0.00290386/step, 3.85052 hours remaining, 203.914062 MB of memory in use. ENERGY: 226400 764.9249 2062.8534 1932.5368 108.8182 -206485.0930 17789.7263 0.0000 0.0000 34193.9315 -149632.3018 298.6241 -183826.2333 -149538.5873 298.1656 -91.8557 -56.3526 556777.0297 -6.6663 -6.3942 PRESSURE: 226600 -250.094 -30.9804 272.672 -30.9816 25.7773 -15.6893 272.672 -15.6882 -225.923 GPRESSURE: 226600 -174.62 -63.7192 211.191 -18.7412 38.1634 -59.6678 287.568 -57.0466 -216.332 PRESSAVG: 226600 33.71 -18.4195 -9.15913 -18.4196 23.8648 25.192 -9.15916 25.192 -49.4485 GPRESSAVG: 226600 33.375 -17.1148 -7.50405 -18.1799 24.0499 26.3377 -8.47124 24.1219 -49.6602 TIMING: 226600 CPU: 654.729, 0.00287574/step Wall: 654.729, 0.00287574/step, 3.81307 hours remaining, 203.914062 MB of memory in use. ENERGY: 226600 712.7605 2069.9742 1980.5719 121.0301 -205970.9710 17483.8047 0.0000 0.0000 34094.2302 -149508.5993 297.7534 -183602.8295 -149415.7015 298.1416 -150.0797 -117.5962 556585.7669 2.7087 2.5883 PRESSURE: 226800 246.609 -242.987 36.9676 -242.988 2.58161 48.2145 36.968 48.2138 114.909 GPRESSURE: 226800 304.889 -217.326 -42.3891 -266.78 -2.7108 19.3397 75.5472 88.7244 164.964 PRESSAVG: 226800 99.9513 -67.9609 80.9955 -67.9609 -56.3366 -17.3579 80.9955 -17.3579 -69.4843 GPRESSAVG: 226800 98.8091 -69.0057 80.7677 -66.6978 -56.3042 -17.2717 80.3726 -17.4504 -68.7037 TIMING: 226800 CPU: 655.307, 0.0028882/step Wall: 655.307, 0.0028882/step, 3.82944 hours remaining, 203.914062 MB of memory in use. ENERGY: 226800 768.2014 2037.2745 1947.9612 107.2080 -206472.2120 18040.7014 0.0000 0.0000 34139.8035 -149431.0619 298.1514 -183570.8654 -149337.9317 298.2836 121.3667 155.7139 556150.0631 -8.6232 -8.7329 PRESSURE: 227000 216.669 -7.24796 -54.6715 -7.247 -187.892 152.665 -54.6723 152.665 -141.007 GPRESSURE: 227000 182.488 -25.2162 -40.2998 32.1618 -94.5793 169.993 -82.0982 116.525 -108.78 PRESSAVG: 227000 97.6248 -17.5021 9.77468 -17.5021 -37.5292 -8.50791 9.77462 -8.50796 -37.7656 GPRESSAVG: 227000 98.6075 -18.042 8.68256 -16.3604 -37.3423 -8.56455 9.33318 -7.12755 -38.6912 TIMING: 227000 CPU: 655.887, 0.00289971/step Wall: 655.887, 0.00289971/step, 3.84453 hours remaining, 203.933594 MB of memory in use. ENERGY: 227000 759.0520 2101.7256 1917.4850 125.7752 -205996.3469 17702.5663 0.0000 0.0000 34178.2847 -149211.4582 298.4875 -183389.7429 -149114.7518 298.9018 -37.4102 -6.9571 557419.4399 7.4433 7.5247 PRESSURE: 227200 199.375 -101.59 94.6402 -101.59 -240.26 -128.211 94.6405 -128.21 -38.7713 GPRESSURE: 227200 178.037 -73.5326 48.7928 -148.069 -179.035 -150.361 93.2389 -80.9983 15.8983 PRESSAVG: 227200 4.51831 -20.0044 -36.9537 -20.0043 41.1144 19.2916 -36.9537 19.2916 -50.1911 GPRESSAVG: 227200 4.742 -18.4222 -36.37 -22.5649 40.7228 17.8738 -36.5312 18.3102 -49.724 TIMING: 227200 CPU: 656.466, 0.00289385/step Wall: 656.466, 0.00289385/step, 3.83661 hours remaining, 203.933594 MB of memory in use. ENERGY: 227200 758.9368 2043.1007 1939.5183 116.4839 -206215.6802 17688.1907 0.0000 0.0000 34335.5888 -149333.8611 299.8612 -183669.4499 -149238.6807 298.4046 -26.5520 4.9668 556218.1696 -1.5195 -1.4197 PRESSURE: 227400 285.319 23.6897 -69.7548 23.6897 226.545 -49.2183 -69.754 -49.2194 -124.851 GPRESSURE: 227400 318.075 29.032 39.1151 36.1827 231.093 -102.496 -62.9285 -29.7959 -69.0098 PRESSAVG: 227400 55.826 -17.5553 -40.5132 -17.5554 -1.28797 0.772865 -40.5132 0.772845 -35.0522 GPRESSAVG: 227400 54.8816 -17.791 -40.2982 -14.7152 -0.0479639 0.366246 -40.5783 2.85805 -35.5466 TIMING: 227400 CPU: 657.041, 0.00287774/step Wall: 657.041, 0.00287773/step, 3.81508 hours remaining, 203.933594 MB of memory in use. ENERGY: 227400 773.5868 2092.1337 1936.3032 112.1122 -206412.6342 17961.9738 0.0000 0.0000 34094.2008 -149442.3237 297.7531 -183536.5244 -149342.3369 298.0903 129.0044 160.0525 556971.3261 6.4953 6.4290 PRESSURE: 227600 -6.30421 71.7747 10.8481 71.7737 -88.9783 83.662 10.8488 83.6607 -111.693 GPRESSURE: 227600 -16.7065 78.8539 66.8192 116.839 -62.3185 92.0384 -12.0924 101.359 -34.1162 PRESSAVG: 227600 41.2212 14.4096 -12.6382 14.4095 -1.77825 -42.305 -12.6382 -42.3049 -101.895 GPRESSAVG: 227600 41.7028 13.5698 -13.1468 13.0282 -2.0147 -39.6026 -12.232 -43.1159 -101.852 TIMING: 227600 CPU: 657.622, 0.0029021/step Wall: 657.622, 0.0029021/step, 3.84722 hours remaining, 203.933594 MB of memory in use. ENERGY: 227600 760.3500 2083.2520 1943.9369 111.0813 -206140.1408 17690.7703 0.0000 0.0000 34209.8102 -149340.9401 298.7628 -183550.7502 -149253.3779 298.9449 -68.9918 -37.7137 557339.5046 -20.8172 -20.7212 PRESSURE: 227800 31.0253 -90.7774 7.13055 -90.7773 30.6229 -31.806 7.13106 -31.8069 -158.586 GPRESSURE: 227800 68.2725 -79.4677 -58.7004 -41.3786 11.652 -74.3911 51.4409 -52.3582 -80.0736 PRESSAVG: 227800 -33.4685 -49.147 -32.5368 -49.1471 -32.8579 44.5401 -32.5369 44.54 7.48977 GPRESSAVG: 227800 -33.3875 -50.159 -33.654 -47.51 -33.1231 43.1197 -34.4709 43.2858 7.82533 TIMING: 227800 CPU: 658.196, 0.00286901/step Wall: 658.196, 0.00286901/step, 3.8032 hours remaining, 203.933594 MB of memory in use. ENERGY: 227800 738.0367 2046.6711 1924.2204 101.6503 -206260.0126 17756.8680 0.0000 0.0000 34371.5586 -149321.0075 300.1754 -183692.5661 -149220.1973 298.7856 -32.3125 -0.0497 557784.2241 -19.6122 -19.5618 PRESSURE: 228000 -62.4492 -118.175 -4.72981 -118.177 -29.988 -10.4382 -4.72828 -10.4376 -124.828 GPRESSURE: 228000 -10.9437 -101.463 10.0253 -148.354 -60.5296 75.29 1.49474 -13.0428 -43.5683 PRESSAVG: 228000 -23.7629 -42.5687 1.09517 -42.5687 -0.889655 -20.4619 1.0953 -20.4619 -3.80475 GPRESSAVG: 228000 -23.986 -40.3964 1.62551 -46.741 0.04146 -20.5419 2.55749 -20.067 -4.2649 TIMING: 228000 CPU: 658.768, 0.00286169/step Wall: 658.768, 0.00286169/step, 3.79333 hours remaining, 203.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 228000 697.9189 2098.2134 1946.3046 106.7203 -206039.4443 17593.5472 0.0000 0.0000 34148.4788 -149448.2612 298.2272 -183596.7400 -149348.0636 299.2721 -72.4217 -38.3472 555318.1408 -9.4858 -9.4031 PRESSURE: 228200 -249.533 86.5499 68.8865 86.5517 107.992 94.6326 68.8856 94.6322 -121.026 GPRESSURE: 228200 -182.412 87.5207 87.8204 122.785 123.871 25.6205 -2.87105 139.248 -117.421 PRESSAVG: 228200 -14.8664 -7.46309 -4.59188 -7.46309 6.41716 28.1499 -4.5919 28.1499 20.9693 GPRESSAVG: 228200 -15.4266 -7.87599 -5.22715 -5.77449 6.20967 29.715 -2.53387 27.4755 21.4026 TIMING: 228200 CPU: 659.344, 0.00287868/step Wall: 659.344, 0.00287869/step, 3.8157 hours remaining, 203.933594 MB of memory in use. ENERGY: 228200 753.3680 2074.6870 1965.7395 127.8775 -206072.5669 17533.7456 0.0000 0.0000 34207.5067 -149409.6427 298.7427 -183617.1494 -149311.6515 299.8223 -87.5224 -58.6541 555995.3705 4.1734 4.0619 LDB: ============= START OF LOAD BALANCING ============== 662.726 LDB: ============== END OF LOAD BALANCING =============== 662.727 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 662.728 LDB: ============= START OF LOAD BALANCING ============== 663.018 LDB: Largest compute 4820 load 0.022964 is 19.5% of average load 0.117860 LDB: Average compute 0.001705 is 1.4% of average load 0.117860 LDB: TIME 663.02 LOAD: AVG 0.11786 MAX 0.180126 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.664 MB LDB: TIME 663.02 LOAD: AVG 0.11786 MAX 0.180126 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.789 MB LDB: TIME 663.021 LOAD: AVG 0.11786 MAX 0.180126 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.789 MB LDB: ============== END OF LOAD BALANCING =============== 663.022 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 663.026 PRESSURE: 228400 -68.3105 11.8728 -48.2002 11.8727 -91.4868 100.646 -48.2006 100.646 -68.0591 GPRESSURE: 228400 -18.5959 -0.805024 -15.8287 3.63368 -63.7683 14.9264 -73.8601 112.647 -38.2519 PRESSAVG: 228400 -58.4594 -38.7318 -6.11394 -38.7318 8.63264 18.7536 -6.11389 18.7536 24.8833 GPRESSAVG: 228400 -57.3399 -40.1905 -4.41039 -37.8563 7.41396 17.0009 -6.84905 18.8596 24.7897 TIMING: 228400 CPU: 659.931, 0.00293462/step Wall: 659.931, 0.00293462/step, 3.88968 hours remaining, 204.839844 MB of memory in use. ENERGY: 228400 718.3999 2126.9505 1940.7048 114.0162 -205933.4083 17467.8003 0.0000 0.0000 34170.8842 -149394.6523 298.4228 -183565.5365 -149298.5353 298.8582 -75.9521 -40.2053 554915.2900 -8.3145 -8.3787 PRESSURE: 228600 -64.5087 -35.6342 88.8002 -35.6348 -4.92224 -173.972 88.8003 -173.971 -98.8626 GPRESSURE: 228600 -34.4829 -72.283 74.3169 -103.621 2.87878 -138.509 83.4608 -177.573 -38.7303 PRESSAVG: 228600 -34.3916 -47.2426 33.4962 -47.2426 -0.706133 3.77988 33.4962 3.77965 10.7333 GPRESSAVG: 228600 -35.0609 -47.7714 33.6077 -47.2569 -1.05843 3.33365 34.9248 3.62396 10.8608 TIMING: 228600 CPU: 660.508, 0.00288872/step Wall: 660.508, 0.00288872/step, 3.82868 hours remaining, 205.042969 MB of memory in use. ENERGY: 228600 780.5922 2090.3658 1903.8456 114.0492 -206501.6845 17616.6010 0.0000 0.0000 34376.6361 -149619.5946 300.2197 -183996.2307 -149523.1014 299.2996 -56.0979 -23.4448 554884.3337 -8.1215 -8.4195 PRESSURE: 228800 46.2717 -29.7013 -71.4369 -29.7006 33.3021 83.1556 -71.4371 83.1563 -172.364 GPRESSURE: 228800 22.5193 64.6421 -172.564 -95.6651 85.4485 76.5174 -65.4042 143.087 -99.9687 PRESSAVG: 228800 41.8877 -36.492 -4.2262 -36.492 -29.8508 -0.768286 -4.22612 -0.768266 14.0262 GPRESSAVG: 228800 40.6766 -35.3363 -4.79867 -37.3715 -28.9117 -1.97558 -8.02443 0.262888 14.5007 TIMING: 228800 CPU: 661.079, 0.00285572/step Wall: 661.079, 0.00285572/step, 3.78478 hours remaining, 205.042969 MB of memory in use. ENERGY: 228800 733.1101 2085.4936 1920.8884 117.1775 -206433.1252 17736.4167 0.0000 0.0000 34300.6729 -149539.3658 299.5563 -183840.0388 -149440.6539 298.6662 -30.9300 2.6663 556359.4343 8.6877 8.7552 PRESSURE: 229000 -89.2126 139.567 -154.986 139.565 -28.6494 4.32126 -154.986 4.32238 130.364 GPRESSURE: 229000 -48.6786 159.726 -59.8131 182.773 17.8098 57.303 -142.774 -58.4645 143.681 PRESSAVG: 229000 -23.5089 -40.761 -18.3223 -40.761 14.1646 5.91432 -18.3223 5.91438 -12.4682 GPRESSAVG: 229000 -23.1423 -39.5459 -19.1152 -40.6843 14.3865 9.66864 -16.238 6.20463 -12.6468 TIMING: 229000 CPU: 661.653, 0.00286797/step Wall: 661.653, 0.00286797/step, 3.80085 hours remaining, 205.042969 MB of memory in use. ENERGY: 229000 727.6144 2059.9794 1941.9951 111.4308 -206077.6619 17716.1235 0.0000 0.0000 34170.9438 -149349.5747 298.4234 -183520.5186 -149250.4088 298.5966 4.1672 37.6039 557239.8453 -7.2708 -7.1342 PRESSURE: 229200 36.8775 -100.957 45.5046 -100.957 74.8717 59.2119 45.5045 59.2126 11.0197 GPRESSURE: 229200 41.317 -119.536 118.641 -42.3195 105.371 57.6412 70.6743 39.1501 80.4121 PRESSAVG: 229200 9.47525 -49.0351 35.3131 -49.035 -19.6922 30.5028 35.3132 30.5028 -32.2184 GPRESSAVG: 229200 11.3654 -51.0201 35.2853 -49.7312 -20.9737 28.4808 34.3348 29.6638 -32.8383 TIMING: 229200 CPU: 662.23, 0.00288369/step Wall: 662.23, 0.00288369/step, 3.82153 hours remaining, 205.042969 MB of memory in use. ENERGY: 229200 754.3770 2090.6145 1919.1436 111.5743 -206220.3841 17782.3327 0.0000 0.0000 34252.9362 -149309.4058 299.1394 -183562.3420 -149219.6976 298.7689 40.9230 75.7001 556779.4916 -14.1451 -14.1489 PRESSURE: 229400 -95.399 131.938 177.129 131.937 -125.087 -156.236 177.129 -156.236 7.80142 GPRESSURE: 229400 -52.9998 134.033 287.662 74.6844 -135.871 -160.48 90.0262 -150.444 67.545 PRESSAVG: 229400 28.8146 5.71131 32.6574 5.71129 -6.02661 -15.2346 32.6574 -15.2347 -23.8511 GPRESSAVG: 229400 26.499 5.87666 33.1164 7.66251 -4.89328 -13.4863 33.9933 -15.8238 -22.694 TIMING: 229400 CPU: 662.806, 0.00287998/step Wall: 662.806, 0.00287998/step, 3.81645 hours remaining, 205.042969 MB of memory in use. ENERGY: 229400 737.6425 2114.1082 1931.2935 119.4106 -206008.3677 17616.8472 0.0000 0.0000 34049.1217 -149439.9440 297.3594 -183489.0657 -149341.8436 298.4709 -70.8948 -40.4419 554953.7992 -0.3544 -0.3628 PRESSURE: 229600 120.225 -48.4383 -144.557 -48.4369 -46.1424 -94.8299 -144.56 -94.8309 -181.662 GPRESSURE: 229600 66.1695 -8.83666 -62.0816 -76.803 -0.00991962 -60.3941 -140.961 -85.4112 -79.6384 PRESSAVG: 229600 13.4192 -24.9259 78.432 -24.9259 -26.1757 31.4578 78.432 31.4578 -12.8069 GPRESSAVG: 229600 15.1797 -24.2798 78.3926 -25.5031 -26.8823 29.4771 79.1725 31.3583 -13.951 TIMING: 229600 CPU: 663.381, 0.00287383/step Wall: 663.381, 0.00287383/step, 3.80815 hours remaining, 205.042969 MB of memory in use. ENERGY: 229600 710.5224 2122.1573 1965.8604 109.0854 -205927.9183 17609.5923 0.0000 0.0000 34092.3856 -149318.3149 297.7373 -183410.7005 -149218.3818 298.7969 -35.8600 -4.4929 556260.7583 -8.5211 -8.5512 PRESSURE: 229800 -212.74 -17.5345 20.2203 -17.536 176.982 146.529 20.221 146.529 -83.8091 GPRESSURE: 229800 -103.986 -19.3306 -20.7598 -13.1148 189.808 159.656 95.5559 40.9129 -107.325 PRESSAVG: 229800 -64.2468 -12.9706 9.14036 -12.9706 70.112 -25.7577 9.14045 -25.7578 -34.0539 GPRESSAVG: 229800 -63.5684 -12.2611 9.92114 -12.5512 70.6612 -24.8759 7.49782 -23.8524 -34.7747 TIMING: 229800 CPU: 663.955, 0.00287193/step Wall: 663.955, 0.00287193/step, 3.80547 hours remaining, 205.042969 MB of memory in use. ENERGY: 229800 703.5454 2087.0865 1940.8129 115.6581 -206399.9777 17810.3444 0.0000 0.0000 34266.2246 -149476.3059 299.2555 -183742.5305 -149371.8840 298.7266 -39.8558 -7.1679 556452.0802 -9.3962 -9.2273 PRESSURE: 230000 -145.997 -87.3385 -165.384 -87.3381 11.2196 -129.518 -165.384 -129.519 -184.175 GPRESSURE: 230000 -92.8235 -97.0995 -77.5541 -67.5386 4.60702 -56.7294 -234.483 -153.823 -138.026 PRESSAVG: 230000 24.9604 -1.92581 35.9974 -1.92583 -19.9186 -1.47457 35.9973 -1.47471 -9.13554 GPRESSAVG: 230000 23.9115 -1.28641 35.046 -2.80186 -19.211 -3.0596 36.7624 -3.19354 -8.47622 TIMING: 230000 CPU: 664.529, 0.00287272/step Wall: 664.529, 0.00287272/step, 3.80635 hours remaining, 205.042969 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: 230000 764.7009 2127.0078 1967.5829 103.9457 -206371.3128 17669.4115 0.0000 0.0000 34253.6387 -149485.0253 299.1455 -183738.6640 -149379.4332 298.1765 -106.3175 -75.4141 555858.2989 -1.3646 -1.2586 PRESSURE: 230200 84.1464 101.806 -114.568 101.806 289.548 -40.4024 -114.567 -40.403 -35.7949 GPRESSURE: 230200 121.702 111.147 -109.805 192.195 360.417 -18.1049 -110.828 -8.82073 -33.1336 PRESSAVG: 230200 -10.1823 -18.4642 -1.6392 -18.4641 17.2138 26.0623 -1.63928 26.0622 -15.2374 GPRESSAVG: 230200 -9.42351 -21.8811 -1.50396 -16.6082 17.4157 27.7657 -2.26694 27.3583 -15.8807 TIMING: 230200 CPU: 665.104, 0.00287109/step Wall: 665.104, 0.00287109/step, 3.80403 hours remaining, 205.042969 MB of memory in use. ENERGY: 230200 726.6688 2075.5911 1948.8614 118.0445 -206560.8574 18005.8207 0.0000 0.0000 34310.1312 -149375.7396 299.6389 -183685.8708 -149277.4174 298.8448 112.6331 149.6619 554161.6518 -2.7353 -2.6295 PRESSURE: 230400 -206.01 131.204 90.2127 131.205 -30.0184 -82.1841 90.2134 -82.1841 127.655 GPRESSURE: 230400 -143.018 69.311 135.303 71.0375 3.02338 -2.13295 108.585 -47.4899 114.463 PRESSAVG: 230400 -42.5161 20.0128 -3.64204 20.0129 4.4744 2.40981 -3.6419 2.40988 65.0093 GPRESSAVG: 230400 -43.5505 21.2122 -4.78777 17.5342 4.05263 5.19873 -2.14789 2.06364 66.5357 TIMING: 230400 CPU: 665.679, 0.00287589/step Wall: 665.679, 0.00287589/step, 3.81024 hours remaining, 205.082031 MB of memory in use. ENERGY: 230400 800.1724 2131.5728 1953.3060 119.8055 -206202.4896 17726.8294 0.0000 0.0000 34222.4948 -149248.3086 298.8736 -183470.8034 -149156.6539 299.3118 -36.1244 -8.5106 555837.5678 8.9892 9.0126 PRESSURE: 230600 -13.2132 -302.105 96.9646 -302.104 11.7821 41.007 96.9647 41.0075 127.087 GPRESSURE: 230600 43.1165 -306.055 26.7274 -246.704 54.906 18.5774 122.136 41.8853 120.685 PRESSAVG: 230600 -39.6879 -14.2795 62.1779 -14.2795 11.2365 31.9883 62.1779 31.9882 24.926 GPRESSAVG: 230600 -38.047 -12.6654 65.5447 -14.2854 9.90609 28.7651 62.0456 32.662 24.785 TIMING: 230600 CPU: 666.254, 0.00287507/step Wall: 666.254, 0.00287507/step, 3.80899 hours remaining, 205.082031 MB of memory in use. ENERGY: 230600 760.7554 2092.3156 1942.4373 127.0433 -206194.4193 17752.7932 0.0000 0.0000 34388.7228 -149130.3517 300.3253 -183519.0746 -149031.1797 299.8146 41.8853 72.9025 555767.7550 -1.1751 -1.1186 PRESSURE: 230800 137.061 24.0531 67.9103 24.0525 -242.47 -11.7973 67.9093 -11.7992 -42.5112 GPRESSURE: 230800 164.202 -46.0847 116.04 102.915 -197.112 -45.4328 34.653 30.5897 -25.7728 PRESSAVG: 230800 39.5748 -15.0338 -12.8677 -15.0338 -15.1262 59.1446 -12.8677 59.1446 -10.4593 GPRESSAVG: 230800 38.4485 -14.3642 -14.0896 -13.7627 -13.7856 61.1446 -14.2382 57.5656 -10.5249 TIMING: 230800 CPU: 666.831, 0.00288368/step Wall: 666.831, 0.00288368/step, 3.82024 hours remaining, 205.082031 MB of memory in use. ENERGY: 230800 773.1745 2090.9866 1940.4087 113.8259 -206321.9454 17716.4417 0.0000 0.0000 34412.4355 -149274.6726 300.5324 -183687.1081 -149179.7386 299.6032 -49.3065 -19.5608 556083.3034 4.6631 4.7127 PRESSURE: 231000 9.4507 79.2651 79.8403 79.2641 -100.397 11.0361 79.8399 11.0346 21.3915 GPRESSURE: 231000 -17.9533 77.0092 -9.49478 -9.7789 -19.5164 -5.88482 130.058 -17.8987 73.1303 PRESSAVG: 231000 -24.0132 -40.9499 66.4569 -40.95 -17.5827 38.4724 66.4569 38.4725 54.1944 GPRESSAVG: 231000 -23.8437 -42.8083 63.2382 -41.2524 -17.5842 36.9523 66.0142 37.7137 54.5671 TIMING: 231000 CPU: 667.406, 0.00287467/step Wall: 667.406, 0.00287467/step, 3.80814 hours remaining, 205.082031 MB of memory in use. ENERGY: 231000 734.4942 2020.1342 1952.8798 105.1368 -206335.2763 17689.6553 0.0000 0.0000 34294.8366 -149538.1394 299.5053 -183832.9760 -149440.6550 299.0092 -23.1851 11.8869 555828.3128 4.1995 4.3797 PRESSURE: 231200 -54.9722 266.973 157.52 266.973 -227.431 -30.4284 157.519 -30.4292 -30.7725 GPRESSURE: 231200 17.4559 252.611 113.438 315.668 -235.073 -125.956 121.416 -4.4239 17.8728 PRESSAVG: 231200 25.6748 41.9719 2.98001 41.972 -52.8892 16.1861 2.98002 16.1861 10.6861 GPRESSAVG: 231200 27.0902 40.3543 5.67181 43.9566 -55.181 17.4801 5.36857 16.3187 11.4364 TIMING: 231200 CPU: 667.981, 0.00287698/step Wall: 667.981, 0.00287698/step, 3.81104 hours remaining, 205.136719 MB of memory in use. ENERGY: 231200 768.3182 2131.3945 1916.1047 117.4139 -206100.9686 17575.0244 0.0000 0.0000 33976.6745 -149616.0384 296.7267 -183592.7129 -149519.0355 298.3385 -104.3918 -66.5816 556956.1763 -5.5094 -5.5515 PRESSURE: 231400 -170.004 142.656 221.184 142.655 -192.9 -89.1136 221.183 -89.1138 12.3162 GPRESSURE: 231400 -151.333 170.298 113.047 129.078 -111.15 -105.071 350.44 -57.3702 0.503132 PRESSAVG: 231400 43.8463 37.521 74.1607 37.521 19.5281 9.02776 74.1606 9.02775 -13.6462 GPRESSAVG: 231400 43.176 38.7212 73.2186 34.92 20.8395 8.74208 73.54 9.48372 -14.179 TIMING: 231400 CPU: 668.556, 0.00287532/step Wall: 668.556, 0.00287532/step, 3.80869 hours remaining, 205.136719 MB of memory in use. ENERGY: 231400 771.4981 2134.0385 1922.9858 113.5507 -206174.5523 17670.4487 0.0000 0.0000 34160.2372 -149401.7933 298.3298 -183562.0305 -149310.4642 298.9153 -116.8626 -87.3267 557256.7258 16.5760 16.6122 PRESSURE: 231600 -68.1883 66.1096 26.0639 66.1105 -229.493 -18.8708 26.0649 -18.8715 -206.226 GPRESSURE: 231600 5.77019 68.574 49.5633 144.608 -250.818 -43.9316 12.281 5.84193 -165.38 PRESSAVG: 231600 -54.2576 0.904514 -24.6824 0.904424 17.2813 25.6925 -24.6825 25.6924 17.0046 GPRESSAVG: 231600 -53.5941 0.798094 -23.4996 2.23065 18.2445 26.1368 -27.5918 24.8069 16.0117 TIMING: 231600 CPU: 669.135, 0.00289454/step Wall: 669.135, 0.00289454/step, 3.83398 hours remaining, 205.136719 MB of memory in use. ENERGY: 231600 739.2237 2139.8738 1931.9109 110.1105 -206014.2986 17569.9032 0.0000 0.0000 34208.8707 -149314.4058 298.7546 -183523.2765 -149220.7038 299.1634 -167.9688 -136.8092 558003.6167 -6.6573 -6.4460 PRESSURE: 231800 60.0242 -105.024 -29.2734 -105.025 -216.015 -124.723 -29.2718 -124.722 210.724 GPRESSURE: 231800 72.5745 -77.3486 -39.7165 -116.417 -137.307 -113.238 -54.4316 -65.6606 228.405 PRESSAVG: 231800 -43.2896 32.022 10.7252 32.0219 33.3077 -16.6593 10.7253 -16.6593 42.2287 GPRESSAVG: 231800 -44.1829 31.7786 10.1045 33.2742 33.4713 -18.8069 12.5567 -14.1262 42.6719 TIMING: 231800 CPU: 669.716, 0.00290484/step Wall: 669.716, 0.00290483/step, 3.84745 hours remaining, 205.136719 MB of memory in use. ENERGY: 231800 741.6313 2039.4879 1934.9238 115.4844 -206175.4561 17919.9302 0.0000 0.0000 34139.3569 -149284.6416 298.1475 -183423.9985 -149193.5266 298.9447 18.2445 54.5573 557311.5988 10.7489 10.6534 PRESSURE: 232000 -209.692 33.192 -137.458 33.1921 -101.69 -125.952 -137.458 -125.953 -1.46778 GPRESSURE: 232000 -171.448 100.859 -142.69 51.4798 -21.8944 -65.9939 -91.0058 -193.062 -17.3632 PRESSAVG: 232000 -25.794 19.9835 24.1335 19.9835 -35.3465 -44.0403 24.1336 -44.0403 59.0306 GPRESSAVG: 232000 -25.1161 20.6808 24.234 19.6876 -36.8292 -43.3236 25.4052 -44.0723 59.5224 TIMING: 232000 CPU: 670.291, 0.00287707/step Wall: 670.291, 0.00287707/step, 3.81052 hours remaining, 205.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 232000 747.0387 2123.0529 1927.7144 103.0388 -206144.8838 17556.6643 0.0000 0.0000 34228.7098 -149458.6650 298.9278 -183687.3748 -149361.3545 298.6322 -104.2832 -70.2351 556715.5984 -0.7033 -0.8077 PRESSURE: 232200 65.1496 -46.476 15.7401 -46.4758 78.0287 -93.9466 15.74 -93.9448 -277.343 GPRESSURE: 232200 65.8537 -114.518 23.0796 26.8663 62.3609 -53.3607 57.5699 -194.687 -171.461 PRESSAVG: 232200 -2.49805 -49.8545 -29.6915 -49.8544 -49.8791 -55.4934 -29.6915 -55.4934 17.1485 GPRESSAVG: 232200 -3.54583 -51.0704 -27.3426 -53.3388 -49.7253 -56.4173 -32.1692 -56.1459 17.4059 TIMING: 232200 CPU: 670.868, 0.00288288/step Wall: 670.868, 0.00288288/step, 3.81805 hours remaining, 205.136719 MB of memory in use. ENERGY: 232200 738.8114 2203.4762 1931.7795 115.5298 -206476.0471 17691.3951 0.0000 0.0000 34386.5587 -149408.4964 300.3064 -183795.0551 -149314.8731 298.9013 -44.7214 -14.4154 556581.3255 -11.7429 -11.9551 LDB: ============= START OF LOAD BALANCING ============== 674.254 LDB: ============== END OF LOAD BALANCING =============== 674.254 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 674.256 LDB: ============= START OF LOAD BALANCING ============== 674.545 LDB: Largest compute 4820 load 0.023419 is 19.9% of average load 0.117905 LDB: Average compute 0.001707 is 1.4% of average load 0.117905 LDB: TIME 674.548 LOAD: AVG 0.117905 MAX 0.178524 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.691 MB LDB: TIME 674.548 LOAD: AVG 0.117905 MAX 0.178524 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.762 MB LDB: TIME 674.548 LOAD: AVG 0.117905 MAX 0.178524 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 674.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 674.554 PRESSURE: 232400 -13.7473 -112.286 39.8565 -112.286 -11.0477 26.1179 39.8565 26.1177 -21.3078 GPRESSURE: 232400 36.0888 -94.0578 -8.97518 -75.0491 58.9279 3.18534 2.15 132.546 -44.0323 PRESSAVG: 232400 18.5543 -28.6903 2.03109 -28.6904 30.948 33.2527 2.03099 33.2527 -59.7965 GPRESSAVG: 232400 19.3771 -26.9908 -0.182262 -27.4355 30.3718 35.0184 1.88407 33.4352 -59.0299 TIMING: 232400 CPU: 671.458, 0.00295241/step Wall: 671.458, 0.00295241/step, 3.90997 hours remaining, 204.496094 MB of memory in use. ENERGY: 232400 722.0285 2082.1835 1971.3210 109.2047 -206376.3009 17764.6032 0.0000 0.0000 34349.3738 -149377.5861 299.9816 -183726.9600 -149274.8953 299.7534 -15.3676 16.9948 555497.3945 -3.4314 -3.0937 PRESSURE: 232600 -241.392 50.8521 -42.1427 50.8518 -192.78 -173.678 -42.145 -173.679 -494.256 GPRESSURE: 232600 -193.368 7.3136 -49.9982 107.305 -204.202 -266.306 -53.946 -135.596 -445.788 PRESSAVG: 232600 -42.7196 17.8831 33.6794 17.883 -2.53082 -20.6958 33.6794 -20.6958 -28.2539 GPRESSAVG: 232600 -42.4446 16.7608 32.7881 19.4458 -1.7188 -21.4461 36.3502 -21.6522 -29.3223 TIMING: 232600 CPU: 672.04, 0.00290709/step Wall: 672.04, 0.00290709/step, 3.84979 hours remaining, 204.496094 MB of memory in use. ENERGY: 232600 787.2153 2179.2675 1960.4468 118.7133 -206051.1649 17409.4306 0.0000 0.0000 34306.2675 -149289.8238 299.6052 -183596.0913 -149189.7546 299.2696 -309.4762 -281.1193 556295.3069 -24.5014 -24.4952 PRESSURE: 232800 -107.357 108.697 -43.7346 108.696 17.6603 26.2025 -43.7345 26.2035 447.381 GPRESSURE: 232800 -88.0647 85.7489 -89.8083 89.9773 92.8756 49.7995 -12.733 37.5032 465.146 PRESSAVG: 232800 -28.5317 -4.63848 -33.7716 -4.6385 23.6643 -10.5036 -33.7716 -10.5037 21.0525 GPRESSAVG: 232800 -27.1862 -3.4373 -34.0404 -6.41373 22.629 -8.97543 -33.9003 -7.98627 21.2268 TIMING: 232800 CPU: 672.617, 0.00288655/step Wall: 672.617, 0.00288655/step, 3.82244 hours remaining, 204.496094 MB of memory in use. ENERGY: 232800 768.3374 2075.6949 1977.5892 109.7957 -206483.4195 17903.1071 0.0000 0.0000 34245.8399 -149403.0554 299.0774 -183648.8952 -149299.4820 299.3117 119.2281 156.6523 555746.9613 5.3950 5.5565 PRESSURE: 233000 -17.4994 42.8504 -238.306 42.8496 -151.328 27.8203 -238.305 27.823 -67.9604 GPRESSURE: 233000 9.25094 56.5779 -275.075 -88.6993 -54.7761 7.58055 -169.743 49.9535 -85.0665 PRESSAVG: 233000 -33.1349 -41.5984 -88.074 -41.5984 -25.8368 37.6085 -88.074 37.6086 32.5334 GPRESSAVG: 233000 -33.3659 -43.0597 -89.3728 -41.5533 -24.3504 33.9984 -88.2754 37.553 31.3541 TIMING: 233000 CPU: 673.194, 0.0028825/step Wall: 673.194, 0.0028825/step, 3.81692 hours remaining, 204.496094 MB of memory in use. ENERGY: 233000 720.1331 2089.7888 1952.8959 109.4611 -206328.7037 17739.0834 0.0000 0.0000 34199.3820 -149517.9594 298.6717 -183717.3414 -149423.3980 298.6622 -78.9293 -43.5305 556509.7445 -8.8128 -8.7874 PRESSURE: 233200 -278.869 58.2913 97.9874 58.2916 -199.271 32.8161 97.9873 32.8162 -246.467 GPRESSURE: 233200 -229.868 -13.462 147.87 107.32 -189.672 -26.0695 96.5392 67.0949 -214.791 PRESSAVG: 233200 -51.3919 40.1179 -59.7584 40.1179 21.4262 -23.4416 -59.7583 -23.4415 20.3566 GPRESSAVG: 233200 -52.832 39.1051 -58.4542 41.726 22.2239 -21.5814 -60.0776 -23.3451 20.8172 TIMING: 233200 CPU: 673.772, 0.00289033/step Wall: 673.772, 0.00289033/step, 3.82711 hours remaining, 204.496094 MB of memory in use. ENERGY: 233200 758.5911 2070.1219 1981.2379 106.2802 -205920.3642 17450.1862 0.0000 0.0000 34050.2024 -149503.7445 297.3689 -183553.9469 -149407.9129 298.5458 -241.5357 -211.4439 557035.5396 -3.2030 -3.2636 PRESSURE: 233400 -233.038 -55.4118 14.526 -55.4129 -181.008 -73.0051 14.5265 -73.0056 217.967 GPRESSURE: 233400 -212.537 -115.016 26.3912 -3.23316 -119.798 -40.1906 -9.12956 -94.3363 243.133 PRESSAVG: 233400 8.95126 -44.8233 19.6233 -44.8233 -39.343 0.447534 19.6233 0.44762 0.315871 GPRESSAVG: 233400 8.24518 -43.2018 20.3281 -45.9113 -39.3765 1.11027 19.5163 0.0859696 1.22134 TIMING: 233400 CPU: 674.35, 0.0028899/step Wall: 674.35, 0.0028899/step, 3.82639 hours remaining, 204.496094 MB of memory in use. ENERGY: 233400 693.1601 2066.6433 1969.6132 101.7672 -206425.4874 17825.5929 0.0000 0.0000 34374.8290 -149393.8818 300.2039 -183768.7108 -149297.6657 298.7828 -65.3595 -29.7339 557959.0609 -10.0253 -9.9700 PRESSURE: 233600 -70.5958 13.5971 -20.8488 13.5968 -157.075 -122.098 -20.8484 -122.098 82.3927 GPRESSURE: 233600 -46.3067 92.56 5.47873 -35.9777 -52.3771 -107.823 -51.4352 -120.383 57.3408 PRESSAVG: 233600 -31.373 12.366 12.7793 12.366 -0.0411456 -17.435 12.7793 -17.435 89.574 GPRESSAVG: 233600 -28.5529 12.6511 11.5152 10.6196 -0.746184 -17.2972 11.2533 -18.993 87.5446 TIMING: 233600 CPU: 674.924, 0.00287367/step Wall: 674.924, 0.00287367/step, 3.80474 hours remaining, 204.496094 MB of memory in use. ENERGY: 233600 753.8548 2084.4339 1987.3181 124.7849 -206271.5098 17755.2634 0.0000 0.0000 34268.2218 -149297.6329 299.2729 -183565.8546 -149193.8160 299.2212 -48.4261 -13.7810 556257.7605 19.3866 19.4152 PRESSURE: 233800 -48.0251 -22.3349 286.246 -22.335 -184.76 -20.0077 286.246 -20.0074 -17.7871 GPRESSURE: 233800 -29.1195 -116.086 250.125 16.8924 -119.401 -62.8436 245.141 13.2585 4.7982 PRESSAVG: 233800 -31.1911 12.9843 2.96694 12.9842 8.99391 -45.78 2.96686 -45.7801 38.8134 GPRESSAVG: 233800 -32.9466 13.8109 4.28361 13.1385 10.1277 -47.3909 4.8035 -44.4918 39.4982 TIMING: 233800 CPU: 675.506, 0.002908/step Wall: 675.506, 0.002908/step, 3.85004 hours remaining, 204.496094 MB of memory in use. ENERGY: 233800 742.8168 2077.7152 1947.6842 110.9919 -206306.9904 17776.8838 0.0000 0.0000 34354.9425 -149295.9559 300.0303 -183650.8984 -149201.5671 298.8249 -83.5240 -47.9076 557193.7439 5.5387 5.5598 PRESSURE: 234000 -48.7665 6.36207 -119.568 6.36416 -90.3879 -133.701 -119.569 -133.701 37.0509 GPRESSURE: 234000 -33.2002 -45.3968 -81.0763 97.4424 -65.9353 -190.177 -153.84 -138.041 90.0695 PRESSAVG: 234000 -7.97253 21.249 -6.34524 21.2489 -10.0101 29.614 -6.34522 29.6141 44.2868 GPRESSAVG: 234000 -7.16128 18.7846 -8.45733 23.6439 -11.5159 31.1708 -6.36142 28.8613 45.2842 TIMING: 234000 CPU: 676.084, 0.00289161/step Wall: 676.084, 0.00289161/step, 3.82817 hours remaining, 204.496094 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: 234000 719.0619 2118.4579 1959.5623 106.0855 -206174.9687 17883.4746 0.0000 0.0000 34275.2278 -149113.0987 299.3341 -183388.3265 -149013.9099 299.7424 -34.0345 -3.0220 559107.9900 8.7681 8.8690 PRESSURE: 234200 -117.669 62.3468 23.8359 62.3456 5.29159 -87.025 23.8368 -87.0238 -8.93308 GPRESSURE: 234200 -81.202 161.94 5.36016 -15.1839 52.7977 -96.7355 86.4593 -53.5789 3.07509 PRESSAVG: 234200 -22.2041 -9.44263 -20.7514 -9.44272 6.96469 -48.1606 -20.7514 -48.1606 37.8143 GPRESSAVG: 234200 -22.8573 -8.71286 -20.1806 -10.618 7.89647 -49.1802 -20.6141 -48.708 37.8284 TIMING: 234200 CPU: 676.66, 0.00287753/step Wall: 676.66, 0.00287753/step, 3.80937 hours remaining, 204.496094 MB of memory in use. ENERGY: 234200 744.3494 2089.2002 1960.0288 100.3740 -206209.7109 17802.0325 0.0000 0.0000 34406.5744 -149107.1515 300.4812 -183513.7260 -149009.7410 299.8611 -40.4368 -8.4431 557779.7569 7.5250 7.6225 PRESSURE: 234400 83.1835 27.6451 -71.619 27.6452 -36.0122 -10.7859 -71.6181 -10.7879 -25.3722 GPRESSURE: 234400 102.035 9.42379 -157.934 97.7473 14.3204 -55.6504 -53.2694 0.29628 5.08122 PRESSAVG: 234400 -0.177255 -21.0678 -3.29923 -21.0679 39.2201 -18.3031 -3.29931 -18.3031 -8.54095 GPRESSAVG: 234400 0.828454 -21.6613 -2.35855 -20.5288 38.0934 -18.1806 -4.62678 -17.8945 -8.89279 TIMING: 234400 CPU: 677.241, 0.00290425/step Wall: 677.241, 0.00290425/step, 3.84458 hours remaining, 204.496094 MB of memory in use. ENERGY: 234400 761.3034 2060.1901 1940.6611 107.7052 -206013.5323 17749.0256 0.0000 0.0000 34202.5734 -149192.0735 298.6996 -183394.6469 -149093.7707 299.3761 7.2664 40.4788 556383.3821 10.1673 10.0097 PRESSURE: 234600 132.246 -184.542 24.9639 -184.542 -217.692 -119.507 24.9645 -119.506 -40.1857 GPRESSURE: 234600 124.789 -193.828 3.89301 -95.5989 -232.299 -198.801 16.71 -138.331 80.0599 PRESSAVG: 234600 -59.3835 -32.2407 11.3651 -32.2407 12.1594 -31.7626 11.3651 -31.7625 -19.6579 GPRESSAVG: 234600 -60.439 -31.5803 11.547 -33.1038 12.4569 -30.4204 12.0079 -31.1363 -19.5114 TIMING: 234600 CPU: 677.817, 0.00288169/step Wall: 677.817, 0.00288169/step, 3.81456 hours remaining, 204.496094 MB of memory in use. ENERGY: 234600 788.6023 2122.3323 1939.0496 125.8143 -205823.5659 17585.0527 0.0000 0.0000 33951.5116 -149311.2031 296.5070 -183262.7147 -149215.7024 298.3886 -41.8772 -9.1501 556893.4116 -22.2940 -22.4978 PRESSURE: 234800 -24.225 121.881 84.1654 121.88 224.725 23.2829 84.1649 23.2821 26.7252 GPRESSURE: 234800 36.2125 99.2044 171.251 123.38 285.631 86.0848 51.3496 51.9942 -8.42874 PRESSAVG: 234800 -19.3648 8.254 15.7954 8.25393 -56.5978 -13.2727 15.7954 -13.2727 45.2895 GPRESSAVG: 234800 -19.3088 8.71586 13.8353 6.73954 -55.6258 -13.0366 17.5032 -12.8064 45.3196 TIMING: 234800 CPU: 678.393, 0.00287909/step Wall: 678.393, 0.00287909/step, 3.81096 hours remaining, 204.496094 MB of memory in use. ENERGY: 234800 756.5105 2128.5909 1962.2450 122.4910 -206655.6399 18089.7718 0.0000 0.0000 34394.6703 -149201.3604 300.3772 -183596.0307 -149100.2538 299.1667 75.7416 104.4716 556670.1944 -10.2244 -9.8717 PRESSURE: 235000 -156.007 73.6623 -23.2181 73.6632 36.073 126.699 -23.2188 126.701 -76.4148 GPRESSURE: 235000 -97.0484 101.525 -19.1612 -4.10281 76.2214 85.803 12.2179 175.416 -58.7815 PRESSAVG: 235000 -8.13018 -35.8287 22.851 -35.8287 -9.02556 50.9398 22.851 50.9397 -17.919 GPRESSAVG: 235000 -6.98028 -33.494 24.214 -36.1963 -9.45447 50.9685 23.5997 50.3358 -18.5294 TIMING: 235000 CPU: 678.969, 0.00288333/step Wall: 678.969, 0.00288333/step, 3.81641 hours remaining, 204.496094 MB of memory in use. ENERGY: 235000 730.3521 2142.7217 1928.9652 113.1398 -206154.9938 17644.4850 0.0000 0.0000 34387.7124 -149207.6175 300.3164 -183595.3300 -149103.6388 299.5566 -65.4496 -26.5362 557740.7738 -11.6916 -11.6547 PRESSURE: 235200 163.288 -73.4059 98.7448 -73.4069 -37.3611 111.101 98.7441 111.101 -47.9204 GPRESSURE: 235200 150.828 -93.4237 95.5604 -20.6816 60.0644 126.131 98.9531 75.9525 -40.1812 PRESSAVG: 235200 -27.3246 5.31919 41.2974 5.31923 -26.2194 -30.9788 41.2974 -30.9787 12.8181 GPRESSAVG: 235200 -28.4392 3.34503 40.2436 6.46889 -25.9837 -31.2156 39.5114 -29.9342 13.7114 TIMING: 235200 CPU: 679.547, 0.00288507/step Wall: 679.547, 0.00288507/step, 3.81855 hours remaining, 204.496094 MB of memory in use. ENERGY: 235200 778.3070 2112.7064 1925.1030 104.7540 -206257.2946 18035.9952 0.0000 0.0000 34069.0760 -149231.3530 297.5337 -183300.4290 -149138.1147 299.5120 26.0021 56.9038 559873.9161 -13.5753 -13.5705 PRESSURE: 235400 61.0317 -136.77 -76.5487 -136.77 -211.549 -8.96571 -76.549 -8.96545 39.1709 GPRESSURE: 235400 89.381 -85.0889 -121.58 -137.715 -196.412 0.0352335 -94.2573 27.491 93.4762 PRESSAVG: 235400 24.1388 52.028 -5.59479 52.028 -66.1974 -5.73412 -5.5948 -5.73406 75.0602 GPRESSAVG: 235400 24.7064 52.4679 -6.29903 52.6368 -65.9444 -7.48949 -3.33805 -5.26494 74.4029 TIMING: 235400 CPU: 680.119, 0.00286126/step Wall: 680.119, 0.00286126/step, 3.78688 hours remaining, 204.496094 MB of memory in use. ENERGY: 235400 740.4805 2147.3400 1915.3973 107.4533 -206491.0177 18039.6891 0.0000 0.0000 34290.2367 -149250.4208 299.4652 -183540.6575 -149150.2349 299.7165 -37.1154 -4.5182 559207.3651 11.0006 11.0550 PRESSURE: 235600 164.173 48.5455 -4.48064 48.5465 106.146 -91.8907 -4.47929 -91.8911 145.447 GPRESSURE: 235600 201.048 -28.7844 -74.1726 93.9377 124.885 -138.128 -0.587005 -101.772 190.494 PRESSAVG: 235600 40.8092 0.0806152 8.65142 0.0805815 -88.3036 39.3901 8.6513 39.3902 -2.96938 GPRESSAVG: 235600 40.4805 -0.05847 9.12585 0.613752 -88.9237 40.9161 7.00266 38.2067 -1.95366 TIMING: 235600 CPU: 680.691, 0.0028592/step Wall: 680.691, 0.0028592/step, 3.78399 hours remaining, 204.496094 MB of memory in use. ENERGY: 235600 726.9741 2129.3552 1901.9777 104.2593 -206837.0859 18287.4022 0.0000 0.0000 34411.3020 -149275.8154 300.5225 -183687.1174 -149187.1542 299.3632 138.5887 172.1423 557817.2999 -16.8213 -16.7989 PRESSURE: 235800 265.899 28.8657 47.1332 28.8647 122.534 -158.327 47.1329 -158.328 143.879 GPRESSURE: 235800 262.744 37.0017 -16.0493 59.9418 193.241 -185.349 -18.1442 -161.376 184.986 PRESSAVG: 235800 113.508 1.8068 0.627324 1.80688 -31.8338 -33.3892 0.627363 -33.3892 -49.3982 GPRESSAVG: 235800 113.59 2.33786 2.75055 0.562621 -31.386 -33.7533 -1.35345 -32.6074 -49.7218 TIMING: 235800 CPU: 681.266, 0.0028766/step Wall: 681.266, 0.0028766/step, 3.80686 hours remaining, 204.496094 MB of memory in use. ENERGY: 235800 715.6584 2155.3030 1922.7489 120.2130 -206658.5190 18160.3454 0.0000 0.0000 34249.2983 -149334.9520 299.1076 -183584.2503 -149239.0155 299.1032 177.4371 213.6571 557963.1954 10.7587 10.8275 PRESSURE: 236000 -67.5746 -74.4102 148.907 -74.4104 11.4319 10.4657 148.907 10.4659 -21.4377 GPRESSURE: 236000 -0.248444 -75.0417 127.995 -2.57696 -0.133844 -41.6577 84.1202 20.6723 10.3564 PRESSAVG: 236000 39.4139 7.37873 -0.527873 7.37881 12.6714 40.2446 -0.527935 40.2446 -47.3666 GPRESSAVG: 236000 38.4267 8.63137 1.63043 5.94155 13.0722 40.9689 1.16205 40.2547 -46.9814 TIMING: 236000 CPU: 681.837, 0.00285767/step Wall: 681.837, 0.00285767/step, 3.78165 hours remaining, 204.496094 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: 236000 739.7969 2084.0360 1956.8384 134.5042 -206236.8587 17798.8482 0.0000 0.0000 34339.4172 -149183.4178 299.8947 -183522.8351 -149081.8176 300.0396 -25.8601 3.3247 558039.6706 1.5729 1.5058 PRESSURE: 236200 108.838 4.94676 -38.1158 4.94659 138.597 -104.51 -38.1173 -104.511 136.351 GPRESSURE: 236200 193.154 41.6688 -48.5794 -5.69019 173.866 -136.573 26.6085 -84.8182 116.485 PRESSAVG: 236200 48.5314 -5.38179 9.95465 -5.38179 -7.50909 -62.9597 9.95465 -62.9598 -2.65711 GPRESSAVG: 236200 50.6967 -5.60181 8.62854 -4.9595 -8.46283 -63.985 11.0959 -63.6438 -4.04392 TIMING: 236200 CPU: 682.409, 0.0028562/step Wall: 682.409, 0.0028562/step, 3.77954 hours remaining, 204.496094 MB of memory in use. ENERGY: 236200 784.5087 2141.6229 1953.1173 107.9065 -206838.9526 18166.4142 0.0000 0.0000 34274.0115 -149411.3715 299.3235 -183685.3829 -149314.6659 299.3545 127.9284 161.1683 555923.3537 12.7884 12.7300 LDB: ============= START OF LOAD BALANCING ============== 685.794 LDB: ============== END OF LOAD BALANCING =============== 685.794 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 685.796 LDB: ============= START OF LOAD BALANCING ============== 686.088 LDB: Largest compute 4820 load 0.022951 is 19.5% of average load 0.117843 LDB: Average compute 0.001713 is 1.5% of average load 0.117843 LDB: TIME 686.09 LOAD: AVG 0.117843 MAX 0.179854 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.266 MB LDB: TIME 686.09 LOAD: AVG 0.117843 MAX 0.179854 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.266 MB LDB: TIME 686.091 LOAD: AVG 0.117843 MAX 0.179854 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 686.092 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 686.096 PRESSURE: 236400 31.8122 -141.002 31.9657 -141.003 235.068 35.2115 31.9652 35.212 -130.925 GPRESSURE: 236400 86.0248 -127.237 83.4878 -195.437 231.223 75.9358 -39.3491 59.4594 -88.8807 PRESSAVG: 236400 3.52482 16.4459 5.52237 16.4459 -55.9474 24.4213 5.52227 24.4212 26.027 GPRESSAVG: 236400 2.8062 15.2575 3.77629 17.393 -56.9001 24.4754 5.13737 23.1126 27.1998 TIMING: 236400 CPU: 683.001, 0.00296082/step Wall: 683.001, 0.00296082/step, 3.91782 hours remaining, 204.867188 MB of memory in use. ENERGY: 236400 742.3579 2088.3827 1907.8465 116.4223 -206556.9875 17865.6215 0.0000 0.0000 34513.4945 -149322.8621 301.4149 -183836.3566 -149225.4097 299.2763 45.3186 76.1222 556800.4715 -8.7985 -8.9647 PRESSURE: 236600 87.5377 42.6709 -49.8021 42.6718 393.683 120.056 -49.8008 120.057 -6.74591 GPRESSURE: 236600 120.734 86.5934 3.14081 62.9802 392.503 62.3863 -24.4804 182.961 55.6912 PRESSAVG: 236600 88.7395 -35.3895 -41.9361 -35.3896 -40.4057 -27.0071 -41.9362 -27.0071 14.2784 GPRESSAVG: 236600 89.2645 -36.2911 -40.4938 -35.3141 -39.0808 -24.9443 -43.3292 -25.6836 12.4413 TIMING: 236600 CPU: 683.575, 0.00287307/step Wall: 683.575, 0.00287307/step, 3.80155 hours remaining, 205.070312 MB of memory in use. ENERGY: 236600 765.6415 2116.4432 1949.3087 98.4492 -206838.7351 18173.3589 0.0000 0.0000 34192.6865 -149542.8472 298.6132 -183735.5337 -149455.0253 298.8370 158.1583 189.6428 556392.6496 20.8707 20.8750 PRESSURE: 236800 7.05729 -310.174 -83.2265 -310.176 158.714 -28.6019 -83.226 -28.6001 81.6096 GPRESSURE: 236800 76.681 -301.938 -105.386 -220.394 180.755 3.73789 -130.666 -45.9964 89.5697 PRESSAVG: 236800 -1.08645 -32.8858 -60.1689 -32.8859 74.3097 -29.7571 -60.1688 -29.7572 -28.4531 GPRESSAVG: 236800 -1.65795 -30.5083 -60.009 -32.7264 75.3052 -31.2429 -61.1387 -28.8257 -28.3512 TIMING: 236800 CPU: 684.155, 0.0028957/step Wall: 684.155, 0.0028957/step, 3.83133 hours remaining, 205.257812 MB of memory in use. ENERGY: 236800 735.7197 2091.8001 1943.4355 108.7740 -206485.6937 17966.3194 0.0000 0.0000 34048.8428 -149590.8022 297.3570 -183639.6450 -149495.7019 298.3339 82.4602 115.6687 556466.5961 14.9234 15.0987 PRESSURE: 237000 116.595 163.649 42.4731 163.649 202.54 69.584 42.473 69.5835 -18.9988 GPRESSURE: 237000 144.568 134.573 96.9261 184.173 243.357 8.18375 -51.9887 18.104 17.2955 PRESSAVG: 237000 63.6148 19.6771 -27.2621 19.6771 -51.1123 -12.6252 -27.262 -12.6254 -10.2193 GPRESSAVG: 237000 63.0586 17.9265 -28.4266 20.0394 -52.0599 -12.731 -26.5757 -14.9206 -8.95282 TIMING: 237000 CPU: 684.734, 0.00289797/step Wall: 684.734, 0.00289797/step, 3.83418 hours remaining, 205.257812 MB of memory in use. ENERGY: 237000 737.7610 2135.0026 1936.4915 110.6954 -206893.6079 18148.2274 0.0000 0.0000 34388.8907 -149436.5394 300.3267 -183825.4301 -149345.3836 298.5423 100.0456 135.0733 556934.0148 0.7611 0.6819 PRESSURE: 237200 125.003 -132.148 58.0648 -132.147 -3.00234 118.82 58.0654 118.819 -141.056 GPRESSURE: 237200 176.732 -176.347 68.7767 -98.4473 61.2012 120.01 91.526 126.421 -156.984 PRESSAVG: 237200 4.38089 45.8003 -31.8862 45.8003 -20.066 31.4979 -31.8862 31.4979 -11.1054 GPRESSAVG: 237200 4.91415 44.4266 -31.6862 45.8689 -19.4912 32.6142 -30.9389 32.121 -11.952 TIMING: 237200 CPU: 685.312, 0.00288757/step Wall: 685.312, 0.00288757/step, 3.82025 hours remaining, 205.257812 MB of memory in use. ENERGY: 237200 744.2051 2088.7409 1941.3557 122.3748 -206279.6277 17935.4675 0.0000 0.0000 33983.4188 -149464.0648 296.7856 -183447.4836 -149365.2110 298.7316 -6.3518 26.9831 558701.7894 -8.9301 -8.8430 PRESSURE: 237400 216.887 -136.641 29.7594 -136.64 80.325 -64.7321 29.7615 -64.7312 -23.7633 GPRESSURE: 237400 220.64 -159.976 48.8946 -75.0824 141.181 -24.237 56.489 -109.687 12.3803 PRESSAVG: 237400 66.6098 -4.27682 11.9751 -4.2768 -33.1783 45.1667 11.9752 45.1666 -43.919 GPRESSAVG: 237400 66.0916 -5.6514 11.6326 -3.01659 -31.7292 44.5889 11.8032 44.5829 -44.4817 TIMING: 237400 CPU: 685.885, 0.00286539/step Wall: 685.885, 0.00286539/step, 3.79075 hours remaining, 205.257812 MB of memory in use. ENERGY: 237400 717.2755 2064.9776 1952.6703 105.4696 -206414.4216 17947.9224 0.0000 0.0000 34163.5935 -149462.5127 298.3592 -183626.1062 -149367.4029 298.2584 91.1496 124.7337 557969.4465 -3.4958 -3.3731 PRESSURE: 237600 179.585 -37.1211 -37.7243 -37.1201 160.977 102.317 -37.7233 102.316 -97.0309 GPRESSURE: 237600 187.918 -50.2482 -31.9604 -26.0336 223.078 10.9666 -7.39232 127.149 -64.5072 PRESSAVG: 237600 70.3827 3.27641 -14.012 3.27656 2.78578 -27.3252 -14.0119 -27.3251 -82.2454 GPRESSAVG: 237600 70.5116 3.4463 -14.3574 3.40604 1.84342 -28.5858 -12.4395 -26.2387 -81.4584 TIMING: 237600 CPU: 686.459, 0.00287266/step Wall: 686.459, 0.00287266/step, 3.80021 hours remaining, 205.257812 MB of memory in use. ENERGY: 237600 726.0244 2096.6130 1932.0779 108.6267 -206234.4505 18040.4649 0.0000 0.0000 34065.0676 -149265.5760 297.4987 -183330.6436 -149165.3079 298.5437 81.1771 115.4964 558178.5654 -3.0256 -3.0344 PRESSURE: 237800 -3.70818 -75.353 -69.1425 -75.3527 142.769 -52.4013 -69.143 -52.4019 57.9265 GPRESSURE: 237800 -13.5476 -132.643 -124.85 -42.5393 193.022 -67.092 12.6906 -33.0055 117.557 PRESSAVG: 237800 70.6652 -31.0287 8.57638 -31.0286 16.6931 -8.67361 8.57639 -8.67354 -87.5049 GPRESSAVG: 237800 70.5713 -30.1968 9.27527 -30.668 16.7029 -6.33895 6.31446 -10.2014 -87.6031 TIMING: 237800 CPU: 687.037, 0.00288612/step Wall: 687.037, 0.00288612/step, 3.81785 hours remaining, 205.257812 MB of memory in use. ENERGY: 237800 770.8829 2117.7073 1972.0042 116.2985 -206524.7794 17947.9323 0.0000 0.0000 34341.3997 -149258.5546 299.9120 -183599.9542 -149161.0389 299.2049 65.6623 99.0104 558255.8756 -0.0489 -0.1096 PRESSURE: 238000 -108.986 -61.2514 -234.932 -61.2512 -362.365 12.4452 -234.933 12.4441 -82.0152 GPRESSURE: 238000 -25.8671 1.48826 -234.155 -57.0165 -358.487 -18.4622 -212.692 83.5034 -60.8361 PRESSAVG: 238000 -14.5551 -25.9285 -9.52828 -25.9285 -25.0702 13.7317 -9.52836 13.7317 46.7245 GPRESSAVG: 238000 -12.9196 -26.4116 -9.74774 -28.3821 -25.8798 11.7097 -8.38906 16.7908 46.2112 TIMING: 238000 CPU: 687.615, 0.00288977/step Wall: 687.615, 0.00288977/step, 3.82252 hours remaining, 205.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 238000 782.8885 2132.0147 1931.0222 116.0031 -206126.0463 17614.7608 0.0000 0.0000 34383.3552 -149166.0018 300.2784 -183549.3570 -149074.9434 299.8490 -184.4555 -148.3968 558125.3368 2.3664 2.4706 PRESSURE: 238200 183.703 -89.2488 -96.7342 -89.2481 -169.742 -69.739 -96.7342 -69.7398 -94.8732 GPRESSURE: 238200 180.482 -14.3713 -120.38 -52.7456 -167.587 -101.904 -77.0881 -47.2382 16.4707 PRESSAVG: 238200 39.6592 -8.82568 -15.9322 -8.82567 -22.3151 -30.0389 -15.9321 -30.039 -4.76284 GPRESSAVG: 238200 39.5564 -7.12029 -14.5648 -8.20028 -21.5508 -30.8533 -16.4268 -32.4213 -4.86362 TIMING: 238200 CPU: 688.192, 0.00288568/step Wall: 688.192, 0.00288568/step, 3.81696 hours remaining, 205.257812 MB of memory in use. ENERGY: 238200 752.1535 2108.3391 1905.6476 122.6094 -206243.4513 17836.1939 0.0000 0.0000 34266.9049 -149251.6029 299.2614 -183518.5078 -149153.4493 300.0062 -26.9708 9.7885 557828.9940 4.1938 4.3806 PRESSURE: 238400 68.1 -25.8284 -49.9816 -25.8282 98.6177 61.2597 -49.9838 61.2579 -142.704 GPRESSURE: 238400 124.323 -29.5021 -16.8659 -86.7362 86.8095 -88.671 -67.0733 141.399 -82.7605 PRESSAVG: 238400 60.8849 50.2312 26.2159 50.2313 31.5271 16.6614 26.2158 16.6614 -54.4558 GPRESSAVG: 238400 60.5876 48.3039 25.3742 51.6068 31.093 17.4298 26.1348 15.9247 -53.9854 TIMING: 238400 CPU: 688.77, 0.0028937/step Wall: 688.77, 0.00289369/step, 3.82739 hours remaining, 205.257812 MB of memory in use. ENERGY: 238400 729.0091 2105.5842 1906.3883 117.7067 -206230.3376 17763.2710 0.0000 0.0000 34390.9489 -149217.4292 300.3447 -183608.3782 -149121.1272 298.8696 8.0046 42.7905 558200.8467 12.6521 12.5650 PRESSURE: 238600 -198.13 9.50406 107.458 9.50258 -133.251 124.889 107.457 124.889 -63.4114 GPRESSURE: 238600 -208.192 10.9715 104.448 23.5195 -85.7105 55.137 171.842 191.959 0.341679 PRESSAVG: 238600 -3.42486 12.0455 -24.72 12.0455 -44.2041 -71.0791 -24.7198 -71.0791 28.906 GPRESSAVG: 238600 -3.64519 14.1996 -24.3531 11.1232 -43.9379 -70.3611 -23.2683 -71.7415 29.1185 TIMING: 238600 CPU: 689.347, 0.0028823/step Wall: 689.347, 0.0028823/step, 3.81216 hours remaining, 205.257812 MB of memory in use. ENERGY: 238600 765.9866 2089.9472 1937.9183 102.2071 -206087.0777 17756.6282 0.0000 0.0000 34390.4739 -149043.9164 300.3406 -183434.3903 -148953.0158 299.8349 -131.5976 -97.8535 558115.6306 -6.2410 -6.1549 PRESSURE: 238800 -81.5875 -49.2218 -3.10251 -49.2214 -1.75323 30.8274 -3.10126 30.8271 -58.2085 GPRESSURE: 238800 -45.9904 -63.9927 -56.5913 -131.347 42.7859 64.0321 12.9651 -14.4634 -35.0287 PRESSAVG: 238800 -52.5149 4.03734 -32.5537 4.03739 46.1972 -19.8427 -32.5536 -19.8428 6.2635 GPRESSAVG: 238800 -52.7043 1.4381 -33.4642 4.66088 46.759 -18.9114 -33.395 -17.4442 6.30578 TIMING: 238800 CPU: 689.922, 0.00287708/step Wall: 689.922, 0.00287708/step, 3.80509 hours remaining, 205.257812 MB of memory in use. ENERGY: 238800 767.4472 2149.7673 1924.0712 118.7714 -206175.1522 17813.7103 0.0000 0.0000 34422.7276 -148978.6572 300.6222 -183401.3848 -148892.4930 299.9633 -47.1831 -12.7444 556668.4253 -0.0181 0.1202 PRESSURE: 239000 75.9408 -72.6181 -85.9398 -72.6174 95.9429 -135.25 -85.9407 -135.252 -31.2457 GPRESSURE: 239000 88.5048 -151.648 1.29483 -58.7853 133.701 -139.082 -22.251 -116.939 5.31231 PRESSAVG: 239000 -62.3246 60.853 -21.6473 60.8531 13.5503 16.6402 -21.6475 16.6401 5.76543 GPRESSAVG: 239000 -61.3631 61.7356 -20.9582 61.201 12.0473 17.2824 -21.9683 14.9455 6.49464 TIMING: 239000 CPU: 690.502, 0.00290036/step Wall: 690.502, 0.00290037/step, 3.83573 hours remaining, 205.257812 MB of memory in use. ENERGY: 239000 734.4588 2113.8302 1963.7118 101.7891 -205788.5921 17625.8096 0.0000 0.0000 34352.9858 -148896.0067 300.0132 -183248.9926 -148805.5436 299.7955 46.8793 75.8392 556373.5086 -14.3363 -14.2737 PRESSURE: 239200 264.148 -5.10023 155.38 -5.10075 -2.42546 -26.9681 155.38 -26.9677 -146.551 GPRESSURE: 239200 273.69 10.9767 146.186 -24.5755 43.5925 21.9315 176.526 1.8331 -116.605 PRESSAVG: 239200 26.335 0.0577244 2.29494 0.0577224 -17.3231 0.419922 2.29489 0.419789 -51.6725 GPRESSAVG: 239200 26.9218 1.99309 2.91262 -0.33233 -17.6395 -0.782087 2.88289 3.33384 -52.7476 TIMING: 239200 CPU: 691.083, 0.00290476/step Wall: 691.083, 0.00290476/step, 3.84139 hours remaining, 205.257812 MB of memory in use. ENERGY: 239200 723.6895 2093.2015 1947.4010 104.5103 -206021.1460 17974.9919 0.0000 0.0000 34206.9788 -148970.3731 298.7381 -183177.3519 -148877.8687 300.1769 38.3904 66.8927 559088.7304 -14.2202 -14.4884 PRESSURE: 239400 -132.842 23.6943 -58.1264 23.6945 -362.486 -51.2179 -58.1254 -51.2184 -98.8355 GPRESSURE: 239400 -99.0218 92.3686 -147.387 -0.779846 -231.202 25.1028 -33.8124 -63.7333 -153.919 PRESSAVG: 239400 7.17683 1.43762 28.251 1.43761 -36.0712 -47.3179 28.251 -47.3178 -8.9065 GPRESSAVG: 239400 6.75162 -0.482786 28.4432 1.38393 -35.8562 -48.1297 28.0053 -48.1862 -9.17281 TIMING: 239400 CPU: 691.661, 0.00288759/step Wall: 691.661, 0.00288759/step, 3.81852 hours remaining, 205.257812 MB of memory in use. ENERGY: 239400 755.2539 2063.9722 1940.2736 105.5243 -205740.6797 17711.9115 0.0000 0.0000 34195.8994 -148967.8448 298.6413 -183163.7442 -148875.6838 299.9276 -198.0543 -161.3810 558843.0842 -12.6003 -12.7591 PRESSURE: 239600 -21.4193 -24.5742 75.1393 -24.5725 -111.675 -2.82967 75.1404 -2.82948 -258.902 GPRESSURE: 239600 -40.8381 -72.3004 107.429 20.9959 -25.5523 67.2894 40.3652 39.3448 -220.264 PRESSAVG: 239600 16.3848 18.3858 24.819 18.3858 -25.4193 -29.7391 24.8191 -29.739 34.0178 GPRESSAVG: 239600 14.9216 19.2654 24.1522 17.8422 -23.3414 -28.2436 25.2861 -29.8071 34.1144 TIMING: 239600 CPU: 692.235, 0.00287248/step Wall: 692.235, 0.00287248/step, 3.79838 hours remaining, 205.257812 MB of memory in use. ENERGY: 239600 719.9067 2082.8613 1914.0283 111.2565 -205821.8638 17558.2894 0.0000 0.0000 34351.4135 -149084.1082 299.9994 -183435.5216 -148983.4213 299.6855 -130.6652 -95.5515 557750.3625 8.3278 8.5649 PRESSURE: 239800 4.83934 13.0198 -142.514 13.0187 106.733 23.1934 -142.516 23.1947 317.258 GPRESSURE: 239800 120.795 5.54424 -210.519 -8.45044 159.291 50.672 -59.8831 19.2633 238.845 PRESSAVG: 239800 22.9064 4.40025 35.0992 4.40019 48.8126 -15.3022 35.099 -15.3022 -58.3242 GPRESSAVG: 239800 24.222 4.0909 35.8102 3.77846 47.0852 -14.8696 34.2797 -15.6709 -58.15 TIMING: 239800 CPU: 692.809, 0.00286978/step Wall: 692.809, 0.00286978/step, 3.79465 hours remaining, 205.257812 MB of memory in use. ENERGY: 239800 731.2241 2072.2594 1942.0249 119.2935 -206229.9849 17979.4045 0.0000 0.0000 34337.0462 -149048.7324 299.8740 -183385.7786 -148961.2361 299.9283 142.9435 172.9774 556152.6282 4.4649 4.3858 PRESSURE: 240000 -40.8772 -12.3414 20.4273 -12.3417 111.149 48.738 20.427 48.7393 33.9948 GPRESSURE: 240000 42.6083 25.7901 7.48416 -1.26319 118.777 24.387 -6.39317 -10.5752 46.9066 PRESSAVG: 240000 -31.7018 44.449 45.2188 44.4492 -1.12917 22.7229 45.2188 22.7229 46.0892 GPRESSAVG: 240000 -30.2522 43.3824 43.9128 44.8788 -1.03106 19.7314 45.3313 23.1953 44.9183 TIMING: 240000 CPU: 693.387, 0.00288969/step Wall: 693.387, 0.00288969/step, 3.82081 hours remaining, 205.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 240000 708.7715 2091.8012 1931.6445 109.7655 -206132.6259 17897.0922 0.0000 0.0000 34382.8384 -149010.7126 300.2739 -183393.5510 -148916.5987 300.1410 34.7556 69.4307 556483.3032 4.4194 4.5450 PRESSURE: 240200 33.4486 -121.105 29.0029 -121.106 -67.5396 -38.3393 29.0021 -38.339 224.892 GPRESSURE: 240200 64.6967 -89.3923 -7.36531 -104.888 -45.736 89.3839 67.8263 -118.682 274.412 PRESSAVG: 240200 -18.6706 5.28449 109.747 5.28444 24.7253 -24.0183 109.747 -24.0182 -18.6935 GPRESSAVG: 240200 -19.6774 6.76249 110.444 5.19283 25.0559 -23.0899 111.03 -24.355 -17.7983 TIMING: 240200 CPU: 693.964, 0.00288457/step Wall: 693.964, 0.00288457/step, 3.81388 hours remaining, 205.257812 MB of memory in use. ENERGY: 240200 764.9621 2057.2130 1947.3254 125.0196 -206135.6378 17854.8938 0.0000 0.0000 34180.2312 -149205.9927 298.5045 -183386.2239 -149111.4962 298.9307 63.6002 97.7910 556103.7955 -4.2129 -4.1399 LDB: ============= START OF LOAD BALANCING ============== 697.348 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 697.348 LDB: =============== DONE WITH MIGRATION ================ 697.35 LDB: ============= START OF LOAD BALANCING ============== 697.638 LDB: Largest compute 4820 load 0.023699 is 20.1% of average load 0.117885 LDB: Average compute 0.001721 is 1.5% of average load 0.117885 LDB: TIME 697.64 LOAD: AVG 0.117885 MAX 0.178004 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.961 MB LDB: TIME 697.64 LOAD: AVG 0.117885 MAX 0.178004 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.164 MB LDB: TIME 697.64 LOAD: AVG 0.117885 MAX 0.178004 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.164 MB LDB: ============== END OF LOAD BALANCING =============== 697.642 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 697.646 PRESSURE: 240400 -3.2013 102.103 97.2158 102.103 -125.806 -0.219888 97.2152 -0.219922 -4.00224 GPRESSURE: 240400 24.4721 37.7746 127.786 94.1352 -64.347 5.88385 86.2067 80.0097 0.646642 PRESSAVG: 240400 -15.5615 36.2384 62.0366 36.2383 55.5782 -2.56742 62.0365 -2.56749 -75.3782 GPRESSAVG: 240400 -15.5103 35.5283 61.7666 36.9584 55.2995 -0.781272 61.0526 -3.68001 -75.1385 TIMING: 240400 CPU: 694.55, 0.00293185/step Wall: 694.55, 0.00293185/step, 3.87624 hours remaining, 205.140625 MB of memory in use. ENERGY: 240400 764.3902 2083.7250 1915.5406 116.8495 -205976.4233 17833.3389 0.0000 0.0000 34066.0879 -149196.4914 297.5076 -183262.5793 -149093.6202 299.4277 -44.3365 -13.0761 557995.0442 -11.7872 -11.7831 PRESSURE: 240600 11.5211 25.5716 16.2637 25.5719 -176.282 -88.48 16.2632 -88.4789 -41.1333 GPRESSURE: 240600 67.2809 56.5638 84.6816 -41.1592 -154.458 -83.7719 -41.0078 -104.093 -15.6639 PRESSAVG: 240600 -31.2328 33.9309 13.7455 33.9309 -23.6227 3.16185 13.7455 3.16189 21.6301 GPRESSAVG: 240600 -30.7598 33.2909 14.3474 35.2514 -24.0705 3.64929 14.2706 4.3022 21.3012 TIMING: 240600 CPU: 695.125, 0.00287166/step Wall: 695.125, 0.00287166/step, 3.7965 hours remaining, 205.601562 MB of memory in use. ENERGY: 240600 738.6940 2086.9692 1946.4837 114.6275 -205835.1570 17570.8250 0.0000 0.0000 34138.7198 -149238.8378 298.1419 -183377.5576 -149141.6541 299.1639 -68.6313 -34.2805 557355.7625 -11.0751 -11.1764 PRESSURE: 240800 247.634 -77.6191 -83.7717 -77.6188 165.376 -163.084 -83.7712 -163.084 -140.476 GPRESSURE: 240800 291.527 -165.575 -55.6386 -36.9546 136.485 -150.583 -54.502 -179.657 -56.6524 PRESSAVG: 240800 56.7745 0.64493 -30.5555 0.644782 -28.4099 -45.9066 -30.5555 -45.9066 -7.48323 GPRESSAVG: 240800 56.6077 0.598821 -33.6585 -0.329845 -28.5395 -47.9356 -30.2986 -44.2354 -7.18934 TIMING: 240800 CPU: 695.704, 0.00289356/step Wall: 695.704, 0.00289356/step, 3.82528 hours remaining, 205.601562 MB of memory in use. ENERGY: 240800 724.3426 2067.3407 1952.9336 118.2105 -206273.6049 17873.5831 0.0000 0.0000 34330.2782 -149206.9163 299.8149 -183537.1946 -149110.6881 298.6796 90.8448 123.7863 556950.4884 6.9604 6.9596 PRESSURE: 241000 -40.4817 125.61 -82.2663 125.611 12.6545 -274.929 -82.2666 -274.929 -26.9413 GPRESSURE: 241000 34.2185 95.1923 -62.5196 151.049 -46.7303 -354.397 -86.836 -192.417 55.2255 PRESSAVG: 241000 -44.9787 21.1171 26.3183 21.117 87.8596 -32.1183 26.3183 -32.1183 -66.1421 GPRESSAVG: 241000 -45.1244 22.2462 26.465 21.0188 88.8024 -29.3865 27.1543 -33.6545 -66.2187 TIMING: 241000 CPU: 696.281, 0.00288664/step Wall: 696.281, 0.00288664/step, 3.81598 hours remaining, 205.601562 MB of memory in use. ENERGY: 241000 744.6888 2079.5098 1950.5686 113.2864 -205995.0111 17758.5817 0.0000 0.0000 33978.0315 -149370.3443 296.7386 -183348.3758 -149277.7322 298.6488 -18.2562 14.2379 556648.1124 -7.7537 -7.5136 PRESSURE: 241200 100.841 70.0235 28.887 70.0225 238.786 112.995 28.8871 112.994 -14.6758 GPRESSURE: 241200 131.191 59.6905 94.169 97.6651 309.658 144.847 -56.2272 55.5624 -21.5457 PRESSAVG: 241200 10.9682 35.6469 -39.5905 35.6469 53.373 -10.8422 -39.5904 -10.8422 -6.41825 GPRESSAVG: 241200 12.061 35.1529 -38.49 37.4794 52.1981 -11.9907 -41.1136 -10.9103 -6.38697 TIMING: 241200 CPU: 696.859, 0.00288849/step Wall: 696.859, 0.00288849/step, 3.81826 hours remaining, 205.601562 MB of memory in use. ENERGY: 241200 745.1732 2089.7431 1947.5821 113.8490 -206409.0725 18005.9542 0.0000 0.0000 34160.2169 -149346.5539 298.3297 -183506.7708 -149247.3079 299.0841 108.3170 139.7678 556446.8448 19.3076 19.2907 PRESSURE: 241400 -190.045 -75.0325 107.612 -75.0336 131.748 30.5993 107.611 30.598 -18.0095 GPRESSURE: 241400 -97.5487 36.6873 93.2216 -141.412 171.077 72.6749 33.9511 18.5999 -40.8901 PRESSAVG: 241400 16.5341 0.993438 57.5789 0.993512 7.09021 -2.87777 57.5789 -2.87778 -23.0601 GPRESSAVG: 241400 15.8923 0.0807098 58.5303 -0.448728 6.96206 -1.29726 56.2975 -5.15101 -22.8209 TIMING: 241400 CPU: 697.435, 0.0028804/step Wall: 697.435, 0.0028804/step, 3.8074 hours remaining, 205.601562 MB of memory in use. ENERGY: 241400 776.9041 2071.6957 1927.0148 110.4654 -206130.8807 17782.2562 0.0000 0.0000 34297.0690 -149165.4756 299.5248 -183462.5446 -149076.4215 299.8335 -25.4357 10.8792 557339.2741 0.1881 0.0111 PRESSURE: 241600 69.6863 -17.791 106.981 -17.7889 44.7119 -196.047 106.981 -196.047 273.89 GPRESSURE: 241600 134.809 -20.9381 59.7563 9.92707 61.5114 -118.931 101.442 -196.359 284.634 PRESSAVG: 241600 -12.5248 -37.3033 -0.356713 -37.3033 62.6645 -49.2733 -0.356725 -49.2733 -17.5258 GPRESSAVG: 241600 -12.6798 -35.6652 -1.48065 -37.3642 62.8362 -51.1187 0.128446 -48.1376 -17.3495 TIMING: 241600 CPU: 698.015, 0.0029011/step Wall: 698.015, 0.0029011/step, 3.8346 hours remaining, 205.601562 MB of memory in use. ENERGY: 241600 719.8906 2063.4444 1943.8141 108.7021 -206348.0324 18083.4209 0.0000 0.0000 34123.4486 -149305.3116 298.0086 -183428.7603 -149208.9882 299.4203 129.4293 160.3179 557556.8064 10.8713 10.9357 PRESSURE: 241800 79.5461 -48.6495 -132.266 -48.6491 -284.471 -123.054 -132.268 -123.052 143.759 GPRESSURE: 241800 45.7426 -62.6135 -173.645 -55.5067 -242.369 -102.965 -199.645 -71.4531 232.58 PRESSAVG: 241800 14.0294 6.87695 -30.2056 6.87704 7.54746 -30.5507 -30.2057 -30.5506 40.336 GPRESSAVG: 241800 13.9049 6.10857 -30.0036 7.28154 7.99349 -31.5267 -29.1739 -30.7351 39.5364 TIMING: 241800 CPU: 698.596, 0.00290394/step Wall: 698.596, 0.00290394/step, 3.8382 hours remaining, 205.601562 MB of memory in use. ENERGY: 241800 748.4708 2032.9269 1936.5614 122.6904 -206087.9122 17739.9326 0.0000 0.0000 34358.2954 -149149.0348 300.0595 -183507.3302 -149050.8182 299.4230 -20.3886 11.9844 557179.2521 20.6376 20.4783 PRESSURE: 242000 88.3862 43.1549 -8.36736 43.1549 118.276 -104.273 -8.36723 -104.272 82.957 GPRESSURE: 242000 152.973 97.3663 -80.2002 32.0151 147.905 -60.515 -34.0926 -102.752 83.2348 PRESSAVG: 242000 86.1124 68.3002 -26.5628 68.3002 -98.6412 -23.404 -26.5628 -23.4041 65.6603 GPRESSAVG: 242000 85.3829 68.8174 -26.9416 67.2306 -98.882 -23.593 -26.7681 -22.4357 66.8311 TIMING: 242000 CPU: 699.17, 0.00287286/step Wall: 699.17, 0.00287286/step, 3.79697 hours remaining, 205.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 242000 737.5503 2096.9777 1951.7498 112.5563 -206161.9152 17782.4207 0.0000 0.0000 34370.7688 -149109.8916 300.1685 -183480.6604 -149014.2160 299.4088 96.5398 128.0379 556772.9399 17.7105 17.7773 PRESSURE: 242200 -341.039 29.0567 -14.8587 29.058 -11.9868 64.6147 -14.8576 64.614 45.7214 GPRESSURE: 242200 -283.87 -31.4742 -26.816 -17.16 38.7992 100.574 60.2166 96.4261 36.7634 PRESSAVG: 242200 6.75778 53.6377 -3.98311 53.6377 -62.9399 -27.2897 -3.98307 -27.2897 35.1373 GPRESSAVG: 242200 7.34669 53.0408 -4.13426 54.3424 -61.8815 -25.7737 -1.97552 -27.2293 33.7604 TIMING: 242200 CPU: 699.744, 0.00286785/step Wall: 699.744, 0.00286785/step, 3.79018 hours remaining, 205.601562 MB of memory in use. ENERGY: 242200 750.4541 2058.4993 1957.2913 121.6883 -205494.0581 17606.9145 0.0000 0.0000 34315.6259 -148683.5847 299.6869 -182999.2106 -148589.6069 299.8954 -102.4346 -69.4357 558476.1451 -7.0149 -6.9248 PRESSURE: 242400 122.617 10.5718 -59.5251 10.5723 -55.9035 121.934 -59.5253 121.933 -16.9107 GPRESSURE: 242400 151.475 27.2041 -148.213 -22.0527 14.8702 134.007 -45.5728 122.276 -11.5102 PRESSAVG: 242400 -22.3404 -2.87277 -27.7793 -2.87275 18.6596 -30.1176 -27.7794 -30.1176 53.0829 GPRESSAVG: 242400 -21.5479 -1.86784 -27.0028 -3.45383 18.8322 -32.4362 -30.0174 -29.5938 52.3376 TIMING: 242400 CPU: 700.318, 0.00287298/step Wall: 700.318, 0.00287298/step, 3.7968 hours remaining, 205.601562 MB of memory in use. ENERGY: 242400 747.7164 2050.3363 1938.2857 121.9421 -206062.0211 17855.3613 0.0000 0.0000 34379.9053 -148968.4739 300.2483 -183348.3792 -148874.7871 300.5017 16.6010 51.6118 556054.3065 16.4674 16.5406 PRESSURE: 242600 4.22537 122.533 58.0745 122.532 -337.844 -42.3391 58.0735 -42.339 -122.97 GPRESSURE: 242600 -2.02995 151.451 11.264 116.392 -287.577 -146.544 123.433 -27.1927 -66.0683 PRESSAVG: 242600 -17.1314 56.8341 -32.4639 56.8342 11.1206 -3.40434 -32.4639 -3.40427 22.1896 GPRESSAVG: 242600 -18.7978 58.7335 -31.5987 56.4544 11.8804 -2.90322 -32.156 -2.82043 22.8293 TIMING: 242600 CPU: 700.894, 0.00287927/step Wall: 700.894, 0.00287927/step, 3.80496 hours remaining, 205.601562 MB of memory in use. ENERGY: 242600 730.8177 2123.1227 1968.8661 130.9577 -205686.4003 17463.4702 0.0000 0.0000 34357.7519 -148911.4140 300.0548 -183269.1659 -148813.5287 300.1884 -152.1963 -118.5584 558219.8159 5.3929 5.3039 PRESSURE: 242800 27.8086 65.3777 25.4154 65.3788 29.9703 50.0396 25.4149 50.0395 -43.7943 GPRESSURE: 242800 67.2286 70.1 16.4222 -38.4503 20.6741 42.6751 64.9376 38.077 28.2127 PRESSAVG: 242800 -6.36038 16.9685 -35.7063 16.9684 -41.63 -52.8795 -35.7063 -52.8794 64.1084 GPRESSAVG: 242800 -5.11582 16.5241 -37.4367 16.7464 -43.553 -54.5968 -35.6033 -52.1103 65.0665 TIMING: 242800 CPU: 701.473, 0.00289483/step Wall: 701.473, 0.00289483/step, 3.82536 hours remaining, 205.601562 MB of memory in use. ENERGY: 242800 771.1436 2094.6073 1930.9521 111.3948 -206044.1324 17819.5106 0.0000 0.0000 34194.5172 -149122.0068 298.6292 -183316.5240 -149030.4269 299.7531 4.6615 38.7051 556544.8864 5.3727 5.4659 PRESSURE: 243000 -348.443 -134.714 -49.0802 -134.714 13.8316 -50.9735 -49.0809 -50.9736 27.2489 GPRESSURE: 243000 -325.073 -111.401 25.6415 -137.928 72.5776 -90.6996 -136.571 -63.8805 50.184 PRESSAVG: 243000 -34.7531 -42.2991 3.17146 -42.2991 -42.4155 -27.8641 3.17146 -27.8641 51.1834 GPRESSAVG: 243000 -35.4834 -43.3919 2.06839 -41.7158 -41.5193 -26.8455 4.75257 -27.2035 51.3667 TIMING: 243000 CPU: 702.057, 0.00291884/step Wall: 702.057, 0.00291884/step, 3.85693 hours remaining, 205.843750 MB of memory in use. ENERGY: 243000 736.7315 2064.7140 1950.6354 114.6783 -205789.1464 17558.1851 0.0000 0.0000 34139.1623 -149225.0398 298.1458 -183364.2021 -149126.3270 298.9746 -102.4541 -67.4372 557243.0642 -8.6617 -8.5453 PRESSURE: 243200 -42.0547 -79.1087 60.9996 -79.1087 -89.4937 16.9795 61.0004 16.9802 -39.3726 GPRESSURE: 243200 32.2655 -49.4416 13.3933 -114.627 -81.2951 7.67957 32.685 69.634 -7.07445 PRESSAVG: 243200 -96.0239 -14.4832 -47.8679 -14.4832 13.5474 -23.1686 -47.8679 -23.1687 79.2498 GPRESSAVG: 243200 -96.005 -15.953 -47.6609 -14.5939 13.9365 -22.0722 -48.6696 -26.1724 78.6241 TIMING: 243200 CPU: 702.638, 0.00290617/step Wall: 702.638, 0.00290617/step, 3.84002 hours remaining, 205.843750 MB of memory in use. ENERGY: 243200 747.2527 2084.0970 1950.1096 102.2109 -206169.4897 17793.0499 0.0000 0.0000 34272.9893 -149219.7803 299.3145 -183492.7696 -149126.7616 299.1584 -56.9737 -18.7014 557565.6941 -1.0756 -1.1482 PRESSURE: 243400 -289.737 -113.061 -78.1328 -113.061 -11.5497 -2.23106 -78.1346 -2.2308 -164.326 GPRESSURE: 243400 -250.065 -99.8125 6.62508 -69.4214 22.2665 -85.635 -116.728 20.9725 -133.094 PRESSAVG: 243400 10.3078 -83.4313 -86.0602 -83.4312 -1.66054 12.111 -86.0602 12.111 20.8582 GPRESSAVG: 243400 10.8795 -82.0625 -85.6586 -81.9385 -2.08819 11.6528 -87.6426 12.1104 19.9016 TIMING: 243400 CPU: 703.216, 0.00288894/step Wall: 703.216, 0.00288894/step, 3.8171 hours remaining, 205.843750 MB of memory in use. ENERGY: 243400 767.9183 2070.0289 1966.9622 115.8940 -205710.5292 17437.5032 0.0000 0.0000 34162.1808 -149190.0418 298.3468 -183352.2226 -149099.9028 299.4796 -155.2042 -120.2977 557354.7803 9.8351 9.5643 PRESSURE: 243600 -444.921 -28.9546 -94.1049 -28.9528 -76.3529 -125.898 -94.1049 -125.897 110.579 GPRESSURE: 243600 -404.764 -18.7851 -135.39 21.9236 -16.982 -57.856 -127.808 -165.897 108.294 PRESSAVG: 243600 -35.9097 -16.1091 14.2566 -16.1091 -10.9687 2.04596 14.2567 2.04604 54.7745 GPRESSAVG: 243600 -34.7497 -16.105 14.8642 -17.2656 -10.878 1.16104 14.9313 2.85401 54.1198 TIMING: 243600 CPU: 703.796, 0.00289923/step Wall: 703.796, 0.00289923/step, 3.83053 hours remaining, 205.843750 MB of memory in use. ENERGY: 243600 703.9492 2083.9048 1916.3503 93.0023 -205957.0451 17530.7681 0.0000 0.0000 34250.9841 -149378.0863 299.1224 -183629.0705 -149280.6850 299.1479 -136.8984 -104.4837 557920.0468 2.6320 2.8307 PRESSURE: 243800 509.305 68.0963 -129.903 68.0964 169.494 -92.5446 -129.903 -92.5438 404.88 GPRESSURE: 243800 532.387 52.454 -185.055 109.651 248.971 -133.68 -121.706 -69.9522 394.092 PRESSAVG: 243800 -17.912 -4.01322 38.087 -4.0132 13.7589 -11.5025 38.087 -11.5025 10.4226 GPRESSAVG: 243800 -20.3019 -3.93819 37.7214 -3.44203 14.1326 -9.54521 36.852 -12.5032 11.9439 TIMING: 243800 CPU: 704.376, 0.00290094/step Wall: 704.376, 0.00290094/step, 3.83263 hours remaining, 205.843750 MB of memory in use. ENERGY: 243800 737.3538 2080.4807 1932.4511 106.6952 -207020.5200 18479.7261 0.0000 0.0000 34459.9791 -149223.8340 300.9476 -183683.8131 -149128.7692 299.6764 361.2262 391.8166 556170.5996 2.0899 1.9249 PRESSURE: 244000 48.0668 73.166 16.9883 73.1672 99.0947 74.7984 16.9877 74.799 -181.64 GPRESSURE: 244000 140.167 43.5878 49.6312 47.2022 72.2467 138.424 -34.3786 85.5747 -137.061 PRESSAVG: 244000 -13.6716 18.4413 13.7819 18.4413 -45.6162 -23.3331 13.7819 -23.3331 47.0398 GPRESSAVG: 244000 -12.5882 17.9831 11.8352 17.9669 -46.947 -24.097 16.5938 -24.5744 46.8913 TIMING: 244000 CPU: 704.95, 0.00286989/step Wall: 704.95, 0.00286989/step, 3.79144 hours remaining, 205.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 244000 756.5418 2083.5069 1933.4375 104.8364 -206036.0809 17760.5018 0.0000 0.0000 34136.4959 -149260.7606 298.1225 -183397.2565 -149163.2232 298.8882 -11.4928 25.1176 557924.8574 -4.0826 -4.2146 PRESSURE: 244200 195.953 -83.4815 -68.2217 -83.4821 42.9697 55.623 -68.2224 55.6239 -82.4853 GPRESSURE: 244200 222.653 -128.694 -90.1572 -57.186 93.9147 49.0016 -41.2029 37.068 -80.7935 PRESSAVG: 244200 12.4953 24.6836 42.0163 24.6836 -15.8488 17.1662 42.0163 17.1662 29.3004 GPRESSAVG: 244200 11.9563 23.7038 45.8446 26.2396 -15.463 17.4951 40.2008 19.0323 29.0633 TIMING: 244200 CPU: 705.528, 0.00288945/step Wall: 705.528, 0.00288945/step, 3.81713 hours remaining, 205.855469 MB of memory in use. ENERGY: 244200 746.4058 2141.0929 1959.5501 123.5504 -205884.8333 17677.5885 0.0000 0.0000 34196.6792 -149039.9664 298.6481 -183236.6455 -148936.1645 298.8325 52.1458 78.5914 556221.6306 8.6490 8.5189 LDB: ============= START OF LOAD BALANCING ============== 708.912 LDB: ============== END OF LOAD BALANCING =============== 708.912 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 708.913 LDB: ============= START OF LOAD BALANCING ============== 709.203 LDB: Largest compute 4820 load 0.024018 is 20.4% of average load 0.117807 LDB: Average compute 0.001709 is 1.5% of average load 0.117807 LDB: TIME 709.205 LOAD: AVG 0.117807 MAX 0.181437 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207 MB LDB: TIME 709.206 LOAD: AVG 0.117807 MAX 0.181437 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: TIME 709.206 LOAD: AVG 0.117807 MAX 0.181437 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 709.207 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 709.212 PRESSURE: 244400 1.85251 -211.391 77.2333 -211.392 -10.9989 -13.0092 77.2332 -13.0107 142.329 GPRESSURE: 244400 3.61047 -190.769 126.454 -204.089 -35.206 -5.85108 39.768 20.4222 260.405 PRESSAVG: 244400 -31.9604 -2.77994 -48.347 -2.77996 -16.8129 -61.8726 -48.347 -61.8725 13.6308 GPRESSAVG: 244400 -31.5266 -0.455658 -50.8949 -5.40563 -16.7473 -61.0359 -47.392 -61.8618 13.266 TIMING: 244400 CPU: 706.116, 0.00294072/step Wall: 706.116, 0.00294072/step, 3.88469 hours remaining, 205.628906 MB of memory in use. ENERGY: 244400 769.4829 2184.2351 1947.0328 104.1305 -205611.4063 17671.1939 0.0000 0.0000 34165.0703 -148770.2607 298.3721 -182935.3310 -148675.1408 299.7064 44.3942 76.2700 557016.7544 -11.7142 -11.6693 PRESSURE: 244600 129.768 -104.539 51.3739 -104.54 -93.4163 -150.653 51.3757 -150.652 -116.013 GPRESSURE: 244600 178.803 -99.6051 62.7222 -166.033 -1.07802 -148.75 45.5373 -80.8594 -140.316 PRESSAVG: 244600 -11.9661 -35.7863 -33.3829 -35.7864 -43.6982 -31.6377 -33.3828 -31.6377 63.8554 GPRESSAVG: 244600 -11.0539 -37.3497 -30.4182 -35.7385 -44.1005 -34.8645 -36.7104 -31.6572 63.948 TIMING: 244600 CPU: 706.696, 0.00290091/step Wall: 706.696, 0.00290091/step, 3.83195 hours remaining, 205.828125 MB of memory in use. ENERGY: 244600 751.3019 2134.9477 1970.1711 110.1904 -205794.9575 17649.9694 0.0000 0.0000 34493.5625 -148684.8145 301.2409 -183178.3770 -148582.0380 301.4970 -26.5537 12.4697 558136.5694 2.7303 2.9312 PRESSURE: 244800 276.332 -64.6249 11.3554 -64.6247 97.4765 -21.9098 11.3573 -21.9102 -165.343 GPRESSURE: 244800 304.903 -88.974 36.2074 -52.5166 109.995 30.9738 -64.1013 23.9636 -116.009 PRESSAVG: 244800 14.13 -50.6321 -27.2223 -50.6321 0.740366 5.0119 -27.2223 5.01187 35.0406 GPRESSAVG: 244800 12.7826 -47.4363 -26.8853 -49.268 2.24898 5.76134 -25.399 6.70197 34.8502 TIMING: 244800 CPU: 707.275, 0.00289544/step Wall: 707.275, 0.00289544/step, 3.82456 hours remaining, 205.828125 MB of memory in use. ENERGY: 244800 746.6717 2123.4489 1928.4334 123.0810 -205856.6494 17786.8002 0.0000 0.0000 34404.4171 -148743.7972 300.4623 -183148.2143 -148635.6864 301.1769 69.4886 99.6297 557674.9339 16.6370 16.6273 PRESSURE: 245000 8.70023 109.319 135.967 109.319 -195.71 53.5889 135.967 53.5876 -60.1981 GPRESSURE: 245000 -2.11838 89.7744 157.565 51.73 -123.622 12.1255 127.145 107.579 -11.4359 PRESSAVG: 245000 -63.4595 -19.6332 -21.8878 -19.6331 67.571 30.7746 -21.8878 30.7745 13.7735 GPRESSAVG: 245000 -64.095 -22.1909 -23.5239 -19.4228 67.0707 31.615 -23.035 30.1052 14.686 TIMING: 245000 CPU: 707.856, 0.00290124/step Wall: 707.856, 0.00290124/step, 3.83205 hours remaining, 205.828125 MB of memory in use. ENERGY: 245000 775.1966 2052.7429 1924.8973 128.9325 -205601.1932 17594.8558 0.0000 0.0000 34262.1732 -148862.3949 299.2201 -183124.5681 -148767.9843 299.7796 -82.4027 -45.7253 556901.1850 5.9616 5.8872 PRESSURE: 245200 -210.712 -244.482 -121.721 -244.482 -19.0077 -92.8228 -121.72 -92.8235 -91.9495 GPRESSURE: 245200 -171.188 -216.429 -94.7961 -317.128 52.2207 -150.646 -123.227 -123.06 -117.737 PRESSAVG: 245200 28.686 -52.6358 6.05318 -52.6358 -36.5413 -42.7953 6.05325 -42.7953 8.89813 GPRESSAVG: 245200 28.8376 -54.2176 5.57102 -52.1744 -36.8868 -44.1617 7.66201 -42.3753 9.08878 TIMING: 245200 CPU: 708.433, 0.00288919/step Wall: 708.433, 0.00288919/step, 3.81598 hours remaining, 205.828125 MB of memory in use. ENERGY: 245200 738.6269 2103.7456 1929.3178 110.0006 -205767.2790 17516.8056 0.0000 0.0000 34421.8358 -148946.9467 300.6145 -183368.7825 -148842.2240 300.5242 -107.2230 -78.9014 557276.9858 0.3476 0.3465 PRESSURE: 245400 -133.95 10.0079 -234.366 10.0071 -78.0533 -134.442 -234.366 -134.443 125.22 GPRESSURE: 245400 -126.681 -34.9796 -220.776 -24.5923 -6.77242 -134.475 -178.751 -169.052 135.918 PRESSAVG: 245400 -4.68313 -2.76392 -72.7739 -2.76398 -13.8958 -70.3624 -72.7739 -70.3623 4.59879 GPRESSAVG: 245400 -4.35002 -2.8858 -70.0752 -2.02653 -14.5422 -69.4448 -75.1193 -69.7409 4.07929 TIMING: 245400 CPU: 709.01, 0.00288216/step Wall: 709.01, 0.00288216/step, 3.80653 hours remaining, 205.964844 MB of memory in use. ENERGY: 245400 723.3199 2062.5998 1966.2220 113.9350 -205544.6534 17487.3683 0.0000 0.0000 34481.5300 -148709.6785 301.1358 -183191.2085 -148607.5838 301.4100 -28.9276 0.8214 558386.1570 -4.6601 -4.9377 PRESSURE: 245600 163.381 -67.0536 -140.246 -67.0546 -48.232 -1.78787 -140.247 -1.78873 -181.296 GPRESSURE: 245600 193.97 -221.337 -130.222 4.33657 -10.6816 9.71755 -175.49 -62.8944 -144.811 PRESSAVG: 245600 11.4441 -30.1955 -59.9399 -30.1955 -6.71528 -76.7685 -59.9399 -76.7685 41.6547 GPRESSAVG: 245600 11.5341 -27.6506 -62.0544 -30.8833 -7.14134 -76.637 -58.0227 -77.7201 42.1301 TIMING: 245600 CPU: 709.584, 0.00287198/step Wall: 709.584, 0.00287198/step, 3.79293 hours remaining, 206.167969 MB of memory in use. ENERGY: 245600 742.2929 2091.6953 1961.5271 108.3266 -206003.0886 17675.7706 0.0000 0.0000 34515.7695 -148907.7066 301.4348 -183423.4761 -148815.1324 300.3104 -22.0492 12.8256 558367.1207 15.4612 15.5076 PRESSURE: 245800 62.136 123.825 16.196 123.824 108.287 -28.4857 16.1972 -28.4849 1.07937 GPRESSURE: 245800 124.93 94.4473 9.40816 161.976 145.831 41.404 61.9404 -115.198 -4.70037 PRESSAVG: 245800 -29.3045 -1.6421 3.69643 -1.6421 31.8612 -56.2776 3.69642 -56.2776 -27.1504 GPRESSAVG: 245800 -29.9906 -1.92883 4.25463 -2.46134 32.5047 -56.8103 2.35308 -55.8146 -27.0718 TIMING: 245800 CPU: 710.159, 0.00287508/step Wall: 710.159, 0.00287508/step, 3.79687 hours remaining, 206.167969 MB of memory in use. ENERGY: 245800 752.0279 2127.7876 1940.0628 104.7284 -206231.3828 17876.9816 0.0000 0.0000 34355.6112 -149074.1833 300.0361 -183429.7945 -148973.6374 300.5184 57.1675 88.6870 557707.7749 -8.1979 -8.1859 PRESSURE: 246000 -131.143 -53.3686 15.5515 -53.37 -156.554 -209.481 15.5504 -209.482 -20.5833 GPRESSURE: 246000 -9.66272 -104.279 39.522 -19.1469 -156.702 -264.818 -34.9961 -158.22 -44.4809 PRESSAVG: 246000 3.76625 32.5165 58.563 32.5166 -40.713 -16.2398 58.563 -16.2397 35.8492 GPRESSAVG: 246000 5.20389 34.1635 58.1898 31.9515 -40.5966 -17.5744 58.4153 -18.3667 34.7358 TIMING: 246000 CPU: 710.735, 0.0028767/step Wall: 710.735, 0.0028767/step, 3.79884 hours remaining, 206.167969 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: 246000 773.0580 2072.7194 1928.9067 111.7397 -205934.1629 17795.1716 0.0000 0.0000 34141.2874 -149111.2801 298.1644 -183252.5675 -149017.3999 299.8635 -102.7599 -70.2817 557049.2048 -0.3658 -0.2190 PRESSURE: 246200 -109.652 -153.974 107.134 -153.975 59.4486 -149.874 107.135 -149.873 149.615 GPRESSURE: 246200 -43.6571 -153.909 76.0294 -205.425 53.025 -236.184 120.441 -8.11117 189.412 PRESSAVG: 246200 13.9464 -56.3894 45.39 -56.3893 -66.5309 -30.543 45.3901 -30.543 59.316 GPRESSAVG: 246200 11.9382 -58.5528 47.7249 -56.3419 -65.1997 -30.1716 45.0429 -27.2403 60.4997 TIMING: 246200 CPU: 711.307, 0.00286465/step Wall: 711.307, 0.00286465/step, 3.78277 hours remaining, 206.167969 MB of memory in use. ENERGY: 246200 722.6825 2062.8551 1906.6216 109.2959 -205823.4898 17564.4916 0.0000 0.0000 34232.2712 -149225.2718 298.9589 -183457.5430 -149125.9634 299.7005 33.1374 66.2601 555908.3688 2.2439 2.4127 PRESSURE: 246400 392.172 3.90576 47.1638 3.90671 104.759 147.329 47.1634 147.329 188.488 GPRESSURE: 246400 416.377 14.6559 0.837344 40.0573 80.084 171.231 38.6401 135.558 284.329 PRESSAVG: 246400 -62.3231 7.65077 30.4655 7.65074 -26.7403 6.0287 30.4656 6.02888 69.3367 GPRESSAVG: 246400 -62.1017 9.22485 28.411 6.69018 -28.2269 7.22702 31.7091 3.53142 70.5892 TIMING: 246400 CPU: 711.88, 0.00286348/step Wall: 711.88, 0.00286348/step, 3.78106 hours remaining, 206.167969 MB of memory in use. ENERGY: 246400 706.4373 2030.5589 1915.4474 97.5555 -206313.1036 18138.8204 0.0000 0.0000 34133.9369 -149290.3472 298.1002 -183424.2841 -149194.8992 299.1198 228.4730 260.2632 557167.9523 -6.5756 -6.5798 PRESSURE: 246600 -187.579 -60.077 11.4004 -60.0768 110.347 -48.4551 11.4012 -48.455 -263.836 GPRESSURE: 246600 -177.386 -45.2161 74.8581 -79.3692 159.359 -92.2464 -11.0187 -80.1458 -213.783 PRESSAVG: 246600 -12.6586 6.81384 11.1203 6.81376 38.0403 14.3575 11.1204 14.3575 -23.2501 GPRESSAVG: 246600 -12.6841 6.93863 11.3949 6.60773 38.4142 13.1782 10.8372 16.0257 -23.6024 TIMING: 246600 CPU: 712.454, 0.00286867/step Wall: 712.454, 0.00286868/step, 3.78777 hours remaining, 206.167969 MB of memory in use. ENERGY: 246600 772.4461 2106.0592 1950.1158 127.5512 -206031.0292 17762.9763 0.0000 0.0000 34033.5000 -149278.3805 297.2230 -183311.8805 -149181.6430 298.7276 -113.6891 -77.2703 557070.5995 0.7105 0.7092 PRESSURE: 246800 -300.219 -46.3964 -56.1963 -46.3976 -208.516 59.009 -56.1962 59.0088 -59.2978 GPRESSURE: 246800 -267.765 -72.8845 -102.051 52.3678 -179.97 118.689 -25.8585 83.2547 -25.4543 PRESSAVG: 246800 -41.1623 21.1822 3.20383 21.1822 71.7953 -0.887034 3.20386 -0.887082 -43.518 GPRESSAVG: 246800 -39.7462 20.3462 4.48212 21.9659 70.7049 -1.69343 5.05771 -1.2917 -43.6512 TIMING: 246800 CPU: 713.03, 0.00288209/step Wall: 713.03, 0.00288209/step, 3.80532 hours remaining, 206.167969 MB of memory in use. ENERGY: 246800 755.5169 2096.4202 1959.5901 115.3101 -206241.8353 17716.7798 0.0000 0.0000 34318.1807 -149280.0376 299.7092 -183598.2182 -149178.6237 299.1885 -189.3444 -157.7297 559317.9412 -4.2950 -4.2308 PRESSURE: 247000 -144.19 44.3404 -235.463 44.3395 241.084 0.676008 -235.465 0.675128 -170.225 GPRESSURE: 247000 -103.751 -85.1392 -216.248 95.8725 257.386 61.1687 -206.287 13.2012 -135.805 PRESSAVG: 247000 10.5104 -0.295884 0.925548 -0.295931 -16.2017 -58.5207 0.925548 -58.5206 -26.1353 GPRESSAVG: 247000 9.95053 1.28648 0.0878868 1.05452 -15.1886 -56.2649 -0.682686 -57.7352 -26.3581 TIMING: 247000 CPU: 713.604, 0.00286958/step Wall: 713.604, 0.00286958/step, 3.78865 hours remaining, 206.167969 MB of memory in use. ENERGY: 247000 737.5743 2056.2087 1933.7090 109.0510 -206313.9598 17832.6855 0.0000 0.0000 34450.3680 -149194.3632 300.8636 -183644.7312 -149095.2119 299.4299 -24.4436 5.9433 557701.5800 -10.6089 -10.5320 PRESSURE: 247200 144.392 -261.277 14.8822 -261.277 151.385 -1.34022 14.8824 -1.33977 262.073 GPRESSURE: 247200 220.373 -223.785 3.83545 -262.661 129.547 24.0994 32.1839 11.1591 310.505 PRESSAVG: 247200 -14.3309 7.86815 -40.9486 7.86813 49.6878 -25.2382 -40.9486 -25.2383 4.72332 GPRESSAVG: 247200 -14.1534 6.92448 -41.3657 6.89825 49.6516 -25.651 -40.8028 -25.5217 5.1021 TIMING: 247200 CPU: 714.178, 0.00286995/step Wall: 714.178, 0.00286995/step, 3.78897 hours remaining, 206.167969 MB of memory in use. ENERGY: 247200 728.5585 2042.7123 1938.8469 104.8955 -206353.0274 18065.7671 0.0000 0.0000 34348.5216 -149123.7255 299.9742 -183472.2471 -149031.8817 299.2120 185.9499 220.1417 556199.1336 13.3601 13.5334 PRESSURE: 247400 -337.51 -24.2616 122.401 -24.261 -208.076 -56.6729 122.399 -56.672 45.2017 GPRESSURE: 247400 -303.882 -51.7845 186.205 14.8767 -141.416 -23.6137 34.3235 -5.91986 55.5648 PRESSAVG: 247400 -0.588532 -32.2272 42.0576 -32.2273 14.5256 -7.91533 42.0577 -7.91537 -13.0403 GPRESSAVG: 247400 -0.863917 -32.1433 40.9394 -30.8597 15.1904 -6.13103 42.6033 -9.57104 -13.5877 TIMING: 247400 CPU: 714.756, 0.00288707/step Wall: 714.756, 0.00288706/step, 3.81141 hours remaining, 206.167969 MB of memory in use. ENERGY: 247400 749.6928 2050.5471 1943.4166 120.1049 -205891.8925 17530.7841 0.0000 0.0000 34290.7907 -149206.5563 299.4700 -183497.3470 -149111.4533 299.4135 -166.7948 -129.9108 556583.5962 0.2989 0.2463 PRESSURE: 247600 -62.2227 -191.167 -24.7868 -191.166 -244.083 176.442 -24.7861 176.443 -128.895 GPRESSURE: 247600 -14.4357 -261.128 -97.1684 -141.327 -227.877 136.035 66.7984 147.193 -72.7311 PRESSAVG: 247600 -2.42633 6.69062 20.1624 6.69058 -47.3086 -20.2299 20.1624 -20.2299 79.802 GPRESSAVG: 247600 -2.87018 6.82491 19.3382 6.72073 -47.7332 -22.5463 21.1972 -20.5901 79.9163 TIMING: 247600 CPU: 715.33, 0.00287384/step Wall: 715.33, 0.00287384/step, 3.79379 hours remaining, 206.167969 MB of memory in use. ENERGY: 247600 738.2638 2150.8463 1952.8845 112.2252 -205728.9526 17477.1255 0.0000 0.0000 34227.9636 -149069.6437 298.9213 -183297.6073 -148975.7542 299.7286 -145.0668 -105.0146 557347.2210 10.0224 9.7710 PRESSURE: 247800 32.7436 -101.726 77.0094 -101.726 42.3055 -146.643 77.0104 -146.642 -292.274 GPRESSURE: 247800 43.4888 -103.119 94.3644 -4.9444 77.7821 -108.593 102.739 -131.897 -237.82 PRESSAVG: 247800 30.939 -58.5852 -29.3909 -58.5851 -122.78 -26.6888 -29.391 -26.6889 46.5158 GPRESSAVG: 247800 30.7644 -57.3756 -28.3115 -60.0715 -122.265 -26.1616 -30.7907 -26.987 45.8652 TIMING: 247800 CPU: 715.905, 0.00287188/step Wall: 715.905, 0.00287188/step, 3.79104 hours remaining, 206.167969 MB of memory in use. ENERGY: 247800 774.2710 2038.6459 1928.6025 124.3135 -206172.3103 17771.0784 0.0000 0.0000 34460.2389 -149075.1602 300.9498 -183535.3991 -148975.4459 299.7024 -72.4083 -38.8497 556265.2893 -15.1084 -15.2117 PRESSURE: 248000 -204.952 -58.1241 -20.7481 -58.1237 -80.0428 -23.6807 -20.7477 -23.6802 -140.345 GPRESSURE: 248000 -130.394 19.1002 -25.1016 -85.879 -83.0533 65.3525 70.9502 -56.2277 -123.231 PRESSAVG: 248000 46.7691 14.2576 -54.5048 14.2576 -31.9228 -13.6872 -54.5048 -13.6871 51.5588 GPRESSAVG: 248000 46.3681 13.6906 -52.6908 11.6344 -32.3674 -15.1776 -53.4 -12.2038 51.9182 TIMING: 248000 CPU: 716.481, 0.00287864/step Wall: 716.481, 0.00287864/step, 3.7998 hours remaining, 206.167969 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: 248000 701.5034 2068.6858 1944.8266 107.7962 -206003.6003 17669.4036 0.0000 0.0000 34418.1559 -149093.2288 300.5823 -183511.3847 -148986.2079 299.0517 -141.7798 -112.2258 559301.1595 22.1350 21.9730 PRESSURE: 248200 -14.8919 -8.40009 119.424 -8.40089 147.23 229.695 119.424 229.695 174.008 GPRESSURE: 248200 12.7121 -113.812 98.6864 3.63247 186.761 271.564 107.044 203.334 205.005 PRESSAVG: 248200 10.218 -21.4513 -48.5155 -21.4513 -11.694 19.9809 -48.5155 19.9809 -16.4033 GPRESSAVG: 248200 10.6192 -23.2131 -49.04 -17.3651 -12.7612 18.8199 -47.9865 20.4947 -15.5622 TIMING: 248200 CPU: 717.06, 0.00289567/step Wall: 717.06, 0.00289567/step, 3.82212 hours remaining, 206.167969 MB of memory in use. ENERGY: 248200 758.4020 2038.8548 1971.3319 115.5546 -206412.7696 18099.3667 0.0000 0.0000 34332.7478 -149096.5118 299.8364 -183429.2596 -149001.0469 299.5115 102.1154 134.8260 556849.3032 -5.9598 -5.9014 LDB: ============= START OF LOAD BALANCING ============== 720.445 LDB: ============== END OF LOAD BALANCING =============== 720.445 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 720.447 LDB: ============= START OF LOAD BALANCING ============== 720.737 LDB: Largest compute 4820 load 0.023657 is 20.1% of average load 0.117865 LDB: Average compute 0.001717 is 1.5% of average load 0.117865 LDB: TIME 720.74 LOAD: AVG 0.117865 MAX 0.181848 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.961 MB LDB: TIME 720.74 LOAD: AVG 0.117865 MAX 0.181848 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.004 MB LDB: TIME 720.74 LOAD: AVG 0.117865 MAX 0.181848 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.004 MB LDB: ============== END OF LOAD BALANCING =============== 720.742 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 720.746 PRESSURE: 248400 -187.216 31.4973 12.688 31.4988 -135.962 -128.45 12.6877 -128.45 -277.701 GPRESSURE: 248400 -151.597 -0.67421 35.4346 -53.0724 -108.558 -109.592 -13.3749 -224.609 -240.083 PRESSAVG: 248400 79.9173 -31.2253 -17.2315 -31.2253 -65.5717 -24.5201 -17.2315 -24.5201 -10.7261 GPRESSAVG: 248400 79.4822 -30.4217 -18.3272 -34.4096 -65.0818 -21.4203 -16.1563 -26.1752 -11.0101 TIMING: 248400 CPU: 717.651, 0.00295444/step Wall: 717.651, 0.00295444/step, 3.89953 hours remaining, 204.898438 MB of memory in use. ENERGY: 248400 758.1923 2072.5680 1972.0096 125.7045 -205867.0901 17437.5505 0.0000 0.0000 34043.4219 -149457.6432 297.3097 -183501.0651 -149355.4619 299.2100 -200.2933 -166.7461 555873.6040 1.2065 1.1301 PRESSURE: 248600 -146.281 48.7865 4.19876 48.7874 -96.5688 251.95 4.19857 251.949 22.7628 GPRESSURE: 248600 -125.269 14.6157 -17.2352 -10.0309 -108.347 108.905 -10.5251 245.428 100.423 PRESSAVG: 248600 57.8184 -23.6424 15.3161 -23.6424 -43.8255 25.6405 15.316 25.6405 -11.0845 GPRESSAVG: 248600 57.5711 -25.2264 15.2123 -21.5534 -42.6312 23.2167 12.8606 26.7941 -11.9755 TIMING: 248600 CPU: 718.228, 0.00288917/step Wall: 718.228, 0.00288917/step, 3.81322 hours remaining, 205.101562 MB of memory in use. ENERGY: 248600 757.6301 2156.6350 1940.8030 109.0274 -206374.0007 17866.8389 0.0000 0.0000 34234.4416 -149308.6246 298.9779 -183543.0662 -149209.1997 298.9433 -73.3624 -44.3973 556763.0330 0.9695 0.9882 PRESSURE: 248800 -191.154 -39.4136 124.312 -39.4136 217.373 -26.9859 124.313 -26.9863 315.682 GPRESSURE: 248800 -123.164 -1.1898 30.8207 -31.1798 168.793 -74.5495 108.136 -33.387 394.642 PRESSAVG: 248800 16.7021 -30.2109 30.9259 -30.2109 -31.6389 -18.3605 30.9259 -18.3605 22.0825 GPRESSAVG: 248800 17.0646 -28.8431 32.0446 -31.9951 -32.5106 -17.2373 30.9673 -19.1423 22.7413 TIMING: 248800 CPU: 718.804, 0.00287588/step Wall: 718.804, 0.00287588/step, 3.79552 hours remaining, 205.101562 MB of memory in use. ENERGY: 248800 697.7153 2131.1634 1920.6134 110.9554 -206544.3658 17766.1107 0.0000 0.0000 34435.9876 -149481.8200 300.7380 -183917.8076 -149383.6546 299.0177 113.9668 146.7570 555117.9344 2.3819 2.4318 PRESSURE: 249000 -178.912 -85.939 -9.95213 -85.9402 93.5223 -0.231887 -9.95126 -0.233372 106.42 GPRESSURE: 249000 -167.588 -67.2784 -3.04605 -71.9027 149.555 -28.8048 -14.7438 -63.9149 134.208 PRESSAVG: 249000 -5.96683 -85.1848 -9.95603 -85.1848 -33.2042 40.9696 -9.95599 40.9697 90.7565 GPRESSAVG: 249000 -6.0638 -84.4279 -10.7178 -83.3691 -32.7602 41.0913 -9.16422 40.6891 90.5005 TIMING: 249000 CPU: 719.383, 0.00289506/step Wall: 719.383, 0.00289506/step, 3.82067 hours remaining, 205.101562 MB of memory in use. ENERGY: 249000 758.4924 2101.7835 1938.6813 118.1799 -206390.4667 17920.5843 0.0000 0.0000 34086.8293 -149465.9160 297.6888 -183552.7453 -149366.7695 299.2200 7.0100 38.7253 556968.5590 17.1952 17.2255 PRESSURE: 249200 197.113 -28.8765 -108.138 -28.8779 96.906 40.02 -108.138 40.0185 21.9013 GPRESSURE: 249200 243.807 -32.0151 -158.459 -109.94 133.096 5.84732 -151.052 -2.20005 39.9022 PRESSAVG: 249200 -30.273 -16.3228 22.1765 -16.3229 -10.5581 -8.02433 22.1766 -8.02436 65.7388 GPRESSAVG: 249200 -32.6418 -16.5554 23.9519 -15.7553 -9.81945 -9.1317 20.9818 -8.73808 67.5177 TIMING: 249200 CPU: 719.961, 0.00289155/step Wall: 719.961, 0.00289155/step, 3.81588 hours remaining, 205.101562 MB of memory in use. ENERGY: 249200 756.0526 2081.6242 1947.7618 121.2089 -206430.7828 17915.5862 0.0000 0.0000 34319.0634 -149289.4856 299.7169 -183608.5491 -149194.9020 299.0670 105.3066 138.9352 556870.2346 8.3026 8.3522 PRESSURE: 249400 -232.643 -16.2165 32.4882 -16.2181 -122.26 -12.2195 32.4897 -12.2196 -18.7518 GPRESSURE: 249400 -173.517 -24.8306 8.4239 -98.6227 -127.135 19.1601 112.625 -5.10082 18.0417 PRESSAVG: 249400 57.5348 30.4381 35.551 30.4382 -51.4708 72.2678 35.551 72.2677 -4.56112 GPRESSAVG: 249400 60.3646 29.8816 34.9265 29.793 -52.3526 75.4357 39.1882 73.1971 -6.16481 TIMING: 249400 CPU: 720.541, 0.0029016/step Wall: 720.541, 0.0029016/step, 3.82898 hours remaining, 205.101562 MB of memory in use. ENERGY: 249400 713.1897 2116.2943 1965.1003 104.6509 -206029.6015 17493.1731 0.0000 0.0000 34511.3181 -149125.8751 301.3959 -183637.1932 -149016.7968 300.2097 -124.5517 -94.2034 558202.1845 0.5010 0.6157 PRESSURE: 249600 -62.8528 -74.3943 118.922 -74.3954 -53.8215 16.5932 118.923 16.5933 184.741 GPRESSURE: 249600 -28.079 -126.228 145.14 -38.751 -26.6721 -13.1201 94.0325 87.5195 222.794 PRESSAVG: 249600 -10.7279 -44.7435 -30.784 -44.7436 16.971 -50.4145 -30.784 -50.4145 -69.3874 GPRESSAVG: 249600 -11.0062 -45.1831 -31.8273 -44.1589 17.4911 -51.2013 -32.6129 -50.44 -69.3566 TIMING: 249600 CPU: 721.113, 0.00285954/step Wall: 721.113, 0.00285954/step, 3.77332 hours remaining, 205.359375 MB of memory in use. ENERGY: 249600 762.6600 2144.9324 1944.1978 121.1251 -206174.2014 17772.2722 0.0000 0.0000 34368.7296 -149060.2842 300.1507 -183429.0138 -148959.0607 299.8706 22.6888 56.0144 557845.8556 -21.0481 -20.9573 PRESSURE: 249800 -254.378 -55.2438 73.7488 -55.2456 -94.4149 153.386 73.7494 153.387 250.165 GPRESSURE: 249800 -236.385 131.214 -26.6364 -136.854 -26.7943 133.156 43.7716 150.106 263.319 PRESSAVG: 249800 -64.9435 -32.6936 13.5301 -32.6936 4.3431 15.2985 13.53 15.2985 74.1469 GPRESSAVG: 249800 -64.9945 -31.71 14.4506 -33.8007 3.00217 13.0182 13.5373 15.75 75.6748 TIMING: 249800 CPU: 721.69, 0.00288221/step Wall: 721.69, 0.00288221/step, 3.80307 hours remaining, 205.359375 MB of memory in use. ENERGY: 249800 757.5364 2114.6065 1938.2599 103.5942 -206099.9094 17749.5231 0.0000 0.0000 34318.8077 -149117.5815 299.7147 -183436.3892 -149017.0533 300.1722 -32.8762 0.0467 558034.8375 4.5155 4.5608 PRESSURE: 250000 -76.5326 -114.709 -55.0985 -114.709 -115.412 67.0664 -55.0998 67.0665 -94.3335 GPRESSURE: 250000 -46.9958 -61.6846 -23.3702 -124.849 -62.2759 90.7071 -63.6575 90.6685 -83.1356 PRESSAVG: 250000 8.07289 -6.58525 -13.3407 -6.58517 -27.1233 14.5104 -13.3408 14.5105 -24.8463 GPRESSAVG: 250000 8.62498 -6.43618 -15.3149 -5.81228 -26.6202 16.0631 -13.333 13.8847 -25.802 TIMING: 250000 CPU: 722.271, 0.00290832/step Wall: 722.271, 0.00290832/step, 3.83737 hours remaining, 205.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 250000 747.9372 2159.9745 1925.1044 109.8061 -206438.8728 17785.9591 0.0000 0.0000 34368.4361 -149341.6553 300.1481 -183710.0914 -149239.3020 299.5166 -95.4261 -64.1358 558685.1896 -14.6322 -14.5991 PRESSURE: 250200 -10.4681 7.18755 61.8173 7.18879 114.712 -165.956 61.8174 -165.957 -27.7059 GPRESSURE: 250200 -24.3766 -101.416 110.321 61.9553 120.334 -114.951 75.0062 -122.117 76.619 PRESSAVG: 250200 -8.55328 5.15909 -36.8459 5.15894 -55.5444 3.66604 -36.8461 3.66594 71.032 GPRESSAVG: 250200 -9.6148 4.25464 -37.2245 3.99556 -55.2484 3.97961 -35.2851 3.85195 71.8378 TIMING: 250200 CPU: 722.847, 0.00287878/step Wall: 722.847, 0.00287878/step, 3.79824 hours remaining, 205.359375 MB of memory in use. ENERGY: 250200 728.7421 2133.7748 1936.0588 98.7261 -206709.2680 17952.0754 0.0000 0.0000 34397.8592 -149462.0316 300.4051 -183859.8908 -149363.2036 298.5288 25.5128 57.5254 556871.0750 2.3114 2.3248 PRESSURE: 250400 63.9601 -145.04 57.5761 -145.041 43.6856 -77.8724 57.5766 -77.8715 -117.54 GPRESSURE: 250400 103.078 -136.985 97.1006 -88.7462 61.2452 -67.558 29.8267 -61.9851 -74.6641 PRESSAVG: 250400 28.1679 -57.7867 3.74446 -57.7866 -33.5899 -4.17703 3.74447 -4.17702 -12.1438 GPRESSAVG: 250400 28.2461 -57.025 5.12776 -57.9109 -32.8756 -3.9865 3.23375 -4.88898 -13.2204 TIMING: 250400 CPU: 723.421, 0.00287011/step Wall: 723.421, 0.00287011/step, 3.78663 hours remaining, 205.359375 MB of memory in use. ENERGY: 250400 717.5966 2091.2356 1944.4036 111.2055 -206201.5256 17792.0965 0.0000 0.0000 34111.3582 -149433.6297 297.9030 -183544.9879 -149338.0851 299.1119 -3.2980 29.8865 558457.0971 -5.8553 -5.9500 PRESSURE: 250600 -88.3022 55.1175 -64.7667 55.1165 32.5439 -59.4691 -64.7669 -59.4712 130.069 GPRESSURE: 250600 -13.4092 99.5893 -18.2472 -48.2084 32.3497 -91.4466 -68.5642 -57.1126 153.171 PRESSAVG: 250600 51.2557 -18.4639 -62.6418 -18.464 36.2067 -33.2304 -62.6417 -33.2304 -38.7979 GPRESSAVG: 250600 50.4529 -18.1738 -62.3362 -17.9119 36.2733 -32.1844 -63.3961 -32.7786 -38.0596 TIMING: 250600 CPU: 723.997, 0.00288117/step Wall: 723.997, 0.00288117/step, 3.80106 hours remaining, 205.359375 MB of memory in use. ENERGY: 250600 723.7108 2145.0686 1897.4872 102.0677 -206591.0875 17868.7329 0.0000 0.0000 34355.1373 -149498.8830 300.0320 -183854.0202 -149399.6751 298.4544 24.7703 57.3704 557578.4938 16.2215 16.2222 PRESSURE: 250800 -54.1288 72.5258 139.811 72.5269 383.117 79.7481 139.811 79.7472 -50.74 GPRESSURE: 250800 22.7019 27.532 165.299 97.6237 373.827 83.3372 151.338 6.42689 -30.4714 PRESSAVG: 250800 -1.76623 7.91507 14.4068 7.91509 46.3758 7.07752 14.4067 7.07735 -82.3725 GPRESSAVG: 250800 -0.824416 9.63161 16.9416 8.66042 46.5442 3.54268 12.2029 7.1882 -83.5495 TIMING: 250800 CPU: 724.58, 0.00291589/step Wall: 724.58, 0.00291589/step, 3.84671 hours remaining, 205.359375 MB of memory in use. ENERGY: 250800 717.7724 2082.8648 1964.2095 108.4666 -206398.3361 18005.3402 0.0000 0.0000 33967.0920 -149552.5907 296.6431 -183519.6827 -149449.0557 298.5113 92.7493 122.0191 558309.4282 -12.5876 -12.6099 PRESSURE: 251000 28.728 -88.2531 57.2672 -88.2523 113.855 -8.86881 57.2659 -8.86951 104.804 GPRESSURE: 251000 61.7758 -109.303 30.5824 -101.317 141.286 -4.16994 60.3393 -16.5547 152.28 PRESSAVG: 251000 -1.64227 -59.8789 35.4126 -59.8789 -1.46761 2.95472 35.4126 2.95468 1.36864 GPRESSAVG: 251000 -1.02275 -60.5951 33.6192 -59.5352 -1.60061 4.15131 34.4951 2.61322 1.51021 TIMING: 251000 CPU: 725.16, 0.00290019/step Wall: 725.16, 0.00290019/step, 3.82583 hours remaining, 205.359375 MB of memory in use. ENERGY: 251000 735.9777 2056.6828 1947.1432 112.7797 -206737.6288 18223.0348 0.0000 0.0000 34129.4944 -149532.5162 298.0614 -183662.0106 -149436.9334 297.8604 82.4624 118.4473 557718.1035 -0.5804 -0.3710 PRESSURE: 251200 83.1029 -103.801 -90.3897 -103.8 -41.5588 75.6243 -90.3902 75.6258 49.7835 GPRESSURE: 251200 141.71 -163.976 -151.739 -73.4908 -59.5221 146.164 -40.7064 92.3301 115.7 PRESSAVG: 251200 60.8158 -15.1695 5.60607 -15.1694 -13.7303 48.8991 5.60604 48.899 13.3246 GPRESSAVG: 251200 60.7529 -14.5998 5.82271 -15.7695 -14.2562 49.6626 6.6205 48.0375 14.161 TIMING: 251200 CPU: 725.74, 0.00289754/step Wall: 725.74, 0.00289754/step, 3.82218 hours remaining, 205.359375 MB of memory in use. ENERGY: 251200 717.0444 2048.3306 1920.1760 107.9823 -206717.9193 17946.9860 0.0000 0.0000 34328.9802 -149648.4197 299.8035 -183977.4000 -149545.1096 298.6250 30.4425 65.9628 557299.2267 20.1367 20.2193 PRESSURE: 251400 -172.572 -191.643 -143.394 -191.642 -171.763 21.6474 -143.394 21.648 -224.196 GPRESSURE: 251400 -185.99 -177.653 -71.2643 -208.011 -129.233 -6.53216 -91.5814 67.8339 -148.414 PRESSAVG: 251400 -21.5305 -23.3671 34.5241 -23.367 -31.9004 -20.8142 34.5241 -20.8143 17.198 GPRESSAVG: 251400 -22.3948 -23.8309 32.3947 -24.9988 -30.8704 -20.8406 35.9395 -19.7838 16.9862 TIMING: 251400 CPU: 726.317, 0.00288284/step Wall: 726.317, 0.00288284/step, 3.80263 hours remaining, 205.359375 MB of memory in use. ENERGY: 251400 739.1884 2069.6883 1961.7079 107.5082 -206326.6950 17662.9457 0.0000 0.0000 33993.0865 -149792.5701 296.8701 -183785.6566 -149694.6616 297.6262 -189.5104 -154.5457 558257.9285 -12.0776 -12.0930 PRESSURE: 251600 -298.682 47.032 125.57 47.031 -43.7518 -173.418 125.57 -173.417 -302.162 GPRESSURE: 251600 -267.479 76.0466 109.803 10.4637 33.1676 -200.064 136.308 -237.348 -301.793 PRESSAVG: 251600 17.3717 -60.0434 -12.5981 -60.0434 -18.384 -51.7789 -12.5981 -51.7789 -19.4154 GPRESSAVG: 251600 18.4709 -61.0186 -11.3128 -57.15 -18.8415 -51.6472 -13.0517 -52.2124 -19.9853 TIMING: 251600 CPU: 726.892, 0.00287747/step Wall: 726.892, 0.00287747/step, 3.79538 hours remaining, 205.589844 MB of memory in use. ENERGY: 251600 770.8732 2001.9237 1913.7814 118.7272 -206361.7566 17673.0836 0.0000 0.0000 34174.6838 -149708.6836 298.4560 -183883.3674 -149618.7715 298.4188 -214.8650 -178.7018 557824.4270 -6.8092 -6.7853 PRESSURE: 251800 121.986 -70.2296 57.3867 -70.2291 -0.314487 148.058 57.3877 148.059 -199.69 GPRESSURE: 251800 206.599 -15.5878 83.1045 -51.4723 69.7885 78.416 112.444 145.541 -265.064 PRESSAVG: 251800 -2.64638 19.3863 19.6811 19.3863 -7.71169 -51.5177 19.6812 -51.5177 -24.3074 GPRESSAVG: 251800 -1.59754 18.7093 19.1557 18.0746 -8.46214 -52.4377 21.305 -50.4442 -24.5337 TIMING: 251800 CPU: 727.468, 0.00288025/step Wall: 727.468, 0.00288025/step, 3.79889 hours remaining, 205.589844 MB of memory in use. ENERGY: 251800 719.7519 2053.0201 1924.4213 118.0744 -206232.0199 17693.1882 0.0000 0.0000 34184.1845 -149539.3794 298.5390 -183723.5640 -149439.2259 298.1393 -26.0062 3.7746 557153.8185 -11.5551 -11.5311 PRESSURE: 252000 -245.564 55.8224 -43.1998 55.8215 -251.825 -57.6879 -43.2001 -57.6874 -87.9918 GPRESSURE: 252000 -178.734 36.9836 -49.6641 20.9115 -264.81 -33.8756 -17.6996 -89.3697 -45.1269 PRESSAVG: 252000 26.3484 -33.8328 91.8247 -33.8329 -66.8054 10.8015 91.8247 10.8016 39.8536 GPRESSAVG: 252000 25.4557 -34.4922 89.8689 -34.4535 -66.8861 10.9473 93.4175 9.74228 40.9628 TIMING: 252000 CPU: 728.045, 0.00288423/step Wall: 728.045, 0.00288423/step, 3.80398 hours remaining, 205.589844 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: 252000 754.4747 2072.4643 1939.2460 116.8622 -206412.9846 17793.9441 0.0000 0.0000 34077.0413 -149658.9520 297.6033 -183735.9933 -149561.7994 298.1820 -195.1270 -162.8901 558017.1491 -0.2012 -0.1559 PRESSURE: 252200 -42.9545 35.0273 106.54 35.0273 153.659 -158.112 106.541 -158.113 -9.04678 GPRESSURE: 252200 40.8431 21.4501 139.396 33.6927 173.275 -231.912 116.172 -120.812 -13.161 PRESSAVG: 252200 -57.8897 18.1071 55.0156 18.1071 17.717 -18.3352 55.0156 -18.3351 24.3721 GPRESSAVG: 252200 -57.3657 19.9642 57.6014 18.4167 16.7008 -16.7138 51.0045 -18.5208 24.3592 TIMING: 252200 CPU: 728.621, 0.00288101/step Wall: 728.621, 0.00288101/step, 3.79957 hours remaining, 205.589844 MB of memory in use. ENERGY: 252200 759.0971 2057.7762 1930.9194 109.3051 -206494.3312 17920.6026 0.0000 0.0000 34138.2053 -149578.4257 298.1374 -183716.6309 -149490.0327 297.9980 33.8857 66.9857 557631.9304 -5.2669 -5.4352 LDB: ============= START OF LOAD BALANCING ============== 732.004 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 732.005 LDB: =============== DONE WITH MIGRATION ================ 732.006 LDB: ============= START OF LOAD BALANCING ============== 732.295 LDB: Largest compute 4822 load 0.023730 is 20.1% of average load 0.117814 LDB: Average compute 0.001719 is 1.5% of average load 0.117814 LDB: TIME 732.297 LOAD: AVG 0.117814 MAX 0.181878 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.617 MB LDB: TIME 732.297 LOAD: AVG 0.117814 MAX 0.181878 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.816 MB LDB: TIME 732.298 LOAD: AVG 0.117814 MAX 0.181878 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 732.299 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 732.303 PRESSURE: 252400 -183.917 -98.4426 -6.40943 -98.4415 -131.324 180.245 -6.40974 180.246 -120.841 GPRESSURE: 252400 -161.886 -133.262 -3.70299 -95.1023 -118.185 192.248 11.3741 134.451 -68.3516 PRESSAVG: 252400 -53.7446 -33.7276 18.8138 -33.7275 46.2262 -31.1915 18.8139 -31.1914 9.35805 GPRESSAVG: 252400 -54.2064 -33.1544 17.351 -33.6352 46.4467 -32.6544 20.7627 -30.2983 9.03536 TIMING: 252400 CPU: 729.208, 0.00293302/step Wall: 729.208, 0.00293302/step, 3.868 hours remaining, 205.699219 MB of memory in use. ENERGY: 252400 759.0061 2028.1183 1916.8336 117.7720 -206175.8249 17518.6365 0.0000 0.0000 34124.7927 -149710.6657 298.0203 -183835.4584 -149617.9325 297.8841 -145.3607 -116.1409 556430.5974 0.6132 0.4252 PRESSURE: 252600 -5.17209 -48.4234 -30.4023 -48.4227 -125.888 -60.4145 -30.4023 -60.4125 -84.5557 GPRESSURE: 252600 59.0544 -78.9681 58.4151 -12.5801 -95.1429 -134.313 -76.2654 25.8519 -83.18 PRESSAVG: 252600 16.6125 -7.78458 -2.45339 -7.78466 18.1014 -24.4696 -2.45345 -24.4697 -9.66585 GPRESSAVG: 252600 16.4432 -8.2792 -1.98357 -6.79417 19.6047 -25.7885 -3.93773 -25.2184 -10.5289 TIMING: 252600 CPU: 729.78, 0.00286027/step Wall: 729.78, 0.00286027/step, 3.77191 hours remaining, 205.699219 MB of memory in use. ENERGY: 252600 732.9637 2077.9520 1921.2091 112.0666 -206390.8697 17697.6545 0.0000 0.0000 34186.9992 -149662.0247 298.5636 -183849.0238 -149559.6600 297.8188 -71.8720 -39.7562 555625.9423 8.3494 8.5064 PRESSURE: 252800 41.3812 -20.564 109.699 -20.5632 193.778 -116.755 109.699 -116.755 70.3761 GPRESSURE: 252800 92.013 22.2833 167.842 -29.2103 281.195 -40.3663 64.376 -170.956 41.8595 PRESSAVG: 252800 -16.5885 -12.868 29.6675 -12.868 56.182 -13.6233 29.6675 -13.6233 -57.4314 GPRESSAVG: 252800 -16.2215 -12.0188 28.7816 -13.8038 55.445 -11.7703 31.083 -13.6377 -57.3041 TIMING: 252800 CPU: 730.354, 0.00287115/step Wall: 730.354, 0.00287115/step, 3.78609 hours remaining, 205.738281 MB of memory in use. ENERGY: 252800 733.4808 2043.5496 1929.2753 106.9074 -206223.7915 17922.2548 0.0000 0.0000 34002.8076 -149485.5159 296.9550 -183488.3235 -149391.8524 297.8297 101.8452 138.3559 555856.5140 -5.9459 -6.0269 PRESSURE: 253000 -407.582 -54.7152 66.6459 -54.7153 39.1874 -40.7632 66.644 -40.7647 -163.77 GPRESSURE: 253000 -348.493 13.0085 70.6593 -67.8021 26.1772 -6.11676 160.357 -92.5234 -122.705 PRESSAVG: 253000 18.8866 -18.4254 37.8776 -18.4253 42.1238 14.1756 37.8775 14.1757 -5.06367 GPRESSAVG: 253000 18.337 -18.7227 37.6709 -19.9657 42.5498 14.6044 39.3934 13.0972 -5.42079 TIMING: 253000 CPU: 730.93, 0.00287844/step Wall: 730.93, 0.00287844/step, 3.79555 hours remaining, 205.738281 MB of memory in use. ENERGY: 253000 724.7605 2050.1133 1949.0850 122.8986 -205969.0062 17536.7586 0.0000 0.0000 34089.9532 -149495.4369 297.7160 -183585.3901 -149402.0739 298.5826 -177.3882 -148.3402 556387.1835 18.6489 18.4887 PRESSURE: 253200 -208.13 109.517 -13.8557 109.517 -172.759 48.9301 -13.8547 48.9312 -165.69 GPRESSURE: 253200 -78.5473 -3.51382 -24.6434 150.633 -180.738 41.8792 -29.5003 73.9559 -183.533 PRESSAVG: 253200 -5.1264 -34.1259 67.5236 -34.1259 19.2112 40.2456 67.5236 40.2455 -4.18736 GPRESSAVG: 253200 -4.2681 -35.6902 66.7771 -34.5748 17.961 40.1392 66.7002 40.426 -3.69651 TIMING: 253200 CPU: 731.504, 0.00287139/step Wall: 731.504, 0.00287139/step, 3.78609 hours remaining, 205.738281 MB of memory in use. ENERGY: 253200 717.2067 2027.9051 1935.9531 117.3187 -205576.8049 17271.7168 0.0000 0.0000 33944.5720 -149562.1327 296.4464 -183506.7046 -149468.0879 298.4406 -182.1930 -147.6061 557145.6218 3.2991 3.3321 PRESSURE: 253400 -201.433 -47.7258 -171.692 -47.7263 -222.679 -5.1031 -171.692 -5.10242 -68.911 GPRESSURE: 253400 -193.359 -21.565 -70.384 -102.132 -175.179 20.2987 -194.496 -11.2547 -10.4365 PRESSAVG: 253400 59.796 36.553 -28.1248 36.5531 -11.2035 28.4283 -28.1248 28.4282 -27.0053 GPRESSAVG: 253400 58.0672 36.814 -23.8544 37.49 -8.78382 26.1304 -31.0876 30.4239 -27.4022 TIMING: 253400 CPU: 732.083, 0.00289334/step Wall: 732.083, 0.00289334/step, 3.81487 hours remaining, 205.738281 MB of memory in use. ENERGY: 253400 705.7623 2064.7607 1938.1871 109.4837 -205978.0903 17557.1669 0.0000 0.0000 34020.4725 -149582.2571 297.1092 -183602.7296 -149493.7583 298.1145 -164.3409 -126.3251 559460.1182 7.1957 7.2937 PRESSURE: 253600 -80.2658 1.02441 245.346 1.02473 114.491 55.7994 245.346 55.7984 -27.5839 GPRESSURE: 253600 -0.639312 60.5883 182.859 51.5776 138.203 43.0501 176.952 100.388 -18.7149 PRESSAVG: 253600 -29.602 39.7171 19.4974 39.7171 -61.813 44.6625 19.4974 44.6625 77.6601 GPRESSAVG: 253600 -28.6382 39.9755 15.0025 41.2839 -62.8804 46.757 23.0932 41.9684 77.5592 TIMING: 253600 CPU: 732.665, 0.002913/step Wall: 732.665, 0.002913/step, 3.84063 hours remaining, 205.738281 MB of memory in use. ENERGY: 253600 747.8041 2023.0500 1939.5615 108.8639 -206414.0334 17792.6908 0.0000 0.0000 34193.1879 -149608.8753 298.6176 -183802.0632 -149517.2826 298.0928 2.2139 39.6163 556590.9121 -4.5850 -4.6531 PRESSURE: 253800 -25.1872 -64.7729 -15.3878 -64.7701 -173.544 -215.383 -15.3895 -215.383 131.347 GPRESSURE: 253800 7.37723 -84.5432 -48.672 -52.7084 -145.586 -255.342 21.633 -232.383 156.753 PRESSAVG: 253800 -2.08009 10.111 -10.7975 10.1109 -89.8374 -8.38797 -10.7975 -8.38776 64.4896 GPRESSAVG: 253800 -2.06761 9.61622 -11.5178 8.64381 -89.768 -9.95542 -10.018 -8.84747 63.7452 TIMING: 253800 CPU: 733.251, 0.00292863/step Wall: 733.251, 0.00292863/step, 3.86108 hours remaining, 205.738281 MB of memory in use. ENERGY: 253800 726.2906 2098.4440 1914.1121 115.1906 -206394.2237 17785.8566 0.0000 0.0000 34232.9795 -149521.3504 298.9651 -183754.3299 -149427.2910 298.4459 -22.4613 6.1815 557729.3684 -9.1426 -9.3635 PRESSURE: 254000 -233.618 11.5369 155.825 11.538 -87.7405 -35.5019 155.824 -35.5015 -539.216 GPRESSURE: 254000 -202.699 -32.3614 171.287 88.1066 -70.2621 15.2951 122.097 -81.7064 -493.487 PRESSAVG: 254000 -109.33 28.4733 -9.82953 28.4733 24.4523 -60.8611 -9.82952 -60.8611 72.044 GPRESSAVG: 254000 -109.551 28.523 -6.17188 28.8171 24.9477 -59.7365 -12.0543 -60.7538 71.9633 TIMING: 254000 CPU: 733.836, 0.0029237/step Wall: 733.836, 0.0029237/step, 3.85441 hours remaining, 205.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 254000 767.0508 2058.8397 1940.7076 117.9931 -205935.3350 17534.9093 0.0000 0.0000 33945.4682 -149570.3662 296.4542 -183515.8344 -149475.4982 298.3524 -286.8582 -255.4825 558630.6545 -4.2781 -4.2132 PRESSURE: 254200 60.962 -26.2332 -46.0708 -26.2342 10.7875 -0.744799 -46.0698 -0.744797 -189.138 GPRESSURE: 254200 104.708 102.977 -97.0764 -102.913 -22.514 -7.85403 -26.3944 -25.3911 -106.359 PRESSAVG: 254200 -36.2771 -7.93529 -39.7737 -7.93524 25.1688 -9.85952 -39.7736 -9.85948 5.24015 GPRESSAVG: 254200 -36.7835 -6.58319 -40.6836 -8.14145 24.728 -12.1052 -38.7769 -7.84671 5.63642 TIMING: 254200 CPU: 734.416, 0.00290061/step Wall: 734.416, 0.00290061/step, 3.82381 hours remaining, 205.738281 MB of memory in use. ENERGY: 254200 772.4158 2012.6831 1932.0469 104.4116 -206296.1185 17884.5046 0.0000 0.0000 34057.6043 -149532.4523 297.4335 -183590.0565 -149439.2412 298.2689 -39.1296 -8.0552 557446.0103 -1.9561 -2.1397 PRESSURE: 254400 -279.406 73.3448 124.806 73.3446 48.3627 -88.0954 124.807 -88.0935 -149.774 GPRESSURE: 254400 -227.957 53.8835 179.118 61.9434 100.022 -114.771 117.784 -21.6429 -157.771 PRESSAVG: 254400 55.6723 -18.5023 2.73974 -18.5022 -26.841 -21.9683 2.73979 -21.9683 8.76251 GPRESSAVG: 254400 56.0741 -19.4663 2.25604 -19.2219 -26.9687 -19.0765 2.2441 -21.9319 8.02597 TIMING: 254400 CPU: 734.996, 0.00290121/step Wall: 734.996, 0.00290121/step, 3.82444 hours remaining, 205.738281 MB of memory in use. ENERGY: 254400 704.9199 1993.0675 1935.7566 104.8563 -206001.4741 17529.2894 0.0000 0.0000 34079.3142 -149654.2702 297.6231 -183733.5843 -149557.4261 298.5072 -126.9391 -95.2356 557362.2741 12.5313 12.3771 PRESSURE: 254600 117.495 -8.95266 21.3017 -8.95301 65.9984 -229.383 21.3015 -229.384 -179.518 GPRESSURE: 254600 112.549 51.3643 65.4398 48.6872 128.847 -119.211 30.3546 -211.377 -128.423 PRESSAVG: 254600 40.9943 -26.0882 23.6338 -26.0882 -12.8331 -50.8921 23.6338 -50.8922 -61.268 GPRESSAVG: 254600 40.8254 -23.9984 22.9017 -25.7555 -14.1285 -50.7623 23.6938 -50.2592 -59.4121 TIMING: 254600 CPU: 735.574, 0.00289185/step Wall: 735.574, 0.00289185/step, 3.81194 hours remaining, 205.738281 MB of memory in use. ENERGY: 254600 719.6334 2074.6776 1929.3864 117.6951 -206420.4740 17952.2765 0.0000 0.0000 33958.4424 -149668.3627 296.5675 -183626.8051 -149569.3617 297.4979 1.3253 37.6575 558949.7480 -11.0356 -10.9051 PRESSURE: 254800 -6.06341 -44.43 -101.035 -44.4295 -162.915 94.654 -101.034 94.6537 -60.8157 GPRESSURE: 254800 26.2101 14.4111 -73.7055 -30.5118 -126.719 53.9946 -136.952 155.937 -31.3908 PRESSAVG: 254800 23.9074 -58.4003 34.2749 -58.4002 10.569 -22.0906 34.2748 -22.0906 -11.0193 GPRESSAVG: 254800 23.6412 -60.4925 37.0727 -59.2276 11.3776 -22.2322 34.3727 -25.1786 -11.959 TIMING: 254800 CPU: 736.15, 0.00287654/step Wall: 736.15, 0.00287654/step, 3.7916 hours remaining, 205.738281 MB of memory in use. ENERGY: 254800 682.2024 2022.2763 1926.6233 113.2437 -206246.6487 17607.4553 0.0000 0.0000 34236.0510 -149658.7967 298.9919 -183894.8477 -149558.4824 298.4514 -76.5979 -43.9666 556923.4134 7.8190 7.6866 PRESSURE: 255000 -96.6448 75.0368 -67.8122 75.0373 7.46977 54.4692 -67.8142 54.4688 -20.8947 GPRESSURE: 255000 -52.4438 38.3596 -70.6042 34.47 25.8351 51.8106 -20.7117 140.246 25.4495 PRESSAVG: 255000 43.8038 -22.5411 5.74889 -22.5411 -10.5267 19.3194 5.74893 19.3195 -46.3208 GPRESSAVG: 255000 44.7838 -22.1157 5.22228 -21.297 -10.7424 18.7197 5.76243 19.724 -47.1013 TIMING: 255000 CPU: 736.729, 0.00289391/step Wall: 736.729, 0.00289391/step, 3.81434 hours remaining, 205.738281 MB of memory in use. ENERGY: 255000 744.0145 2091.0444 1929.5928 114.2358 -206163.4988 17606.6483 0.0000 0.0000 34011.4743 -149666.4887 297.0307 -183677.9630 -149573.5765 298.3466 -36.6899 -0.3864 555794.8593 -4.3479 -4.3533 PRESSURE: 255200 -286.706 19.3532 91.8899 19.3532 67.8218 -12.7813 91.89 -12.782 -130.2 GPRESSURE: 255200 -171.336 16.3023 106.292 52.9244 55.2649 -96.4896 28.319 40.6427 -131.289 PRESSAVG: 255200 21.9563 -18.3416 2.63309 -18.3415 42.3457 -2.81484 2.63313 -2.81479 -61.6392 GPRESSAVG: 255200 21.7156 -19.2028 1.61583 -18.4806 41.9725 -3.68139 4.34389 -0.369234 -61.0125 TIMING: 255200 CPU: 737.309, 0.00290393/step Wall: 737.309, 0.00290393/step, 3.82738 hours remaining, 205.738281 MB of memory in use. ENERGY: 255200 714.7130 2074.0111 1933.8528 109.6631 -206265.5230 17704.1718 0.0000 0.0000 34014.6915 -149714.4197 297.0588 -183729.1112 -149618.4802 297.6309 -116.3611 -82.4533 556894.3599 0.8876 0.8919 PRESSURE: 255400 29.3201 -26.7817 11.5004 -26.7817 111.392 -123.715 11.4995 -123.714 -17.3418 GPRESSURE: 255400 111.694 -13.3004 100.086 -36.4861 138.736 -91.9649 -5.9617 -169.709 -22.293 PRESSAVG: 255400 32.1662 -28.1189 -16.2057 -28.1189 22.1155 -90.1294 -16.2058 -90.1293 -67.2684 GPRESSAVG: 255400 33.0515 -27.4751 -16.469 -29.2881 20.9216 -90.0839 -15.4821 -92.524 -66.9453 TIMING: 255400 CPU: 737.887, 0.00288699/step Wall: 737.887, 0.00288699/step, 3.80489 hours remaining, 205.738281 MB of memory in use. ENERGY: 255400 746.0705 2018.3490 1935.9474 112.6714 -206799.9322 18046.3801 0.0000 0.0000 34166.8328 -149773.6810 298.3874 -183940.5139 -149677.8416 297.5434 41.1233 76.0457 555630.3481 -4.3289 -4.3241 PRESSURE: 255600 -105.862 -57.0716 10.0301 -57.0716 15.4876 -199.944 10.0294 -199.943 35.7573 GPRESSURE: 255600 -63.1922 -16.8464 -72.8581 -49.6603 26.8869 -175.478 126.122 -147.986 70.7826 PRESSAVG: 255600 -0.391637 6.92167 39.9819 6.92158 28.2547 -75.4029 39.9818 -75.4029 -42.6304 GPRESSAVG: 255600 -1.42861 8.38845 42.1993 7.19149 29.0375 -75.9386 39.5025 -72.8942 -42.1365 TIMING: 255600 CPU: 738.464, 0.0028887/step Wall: 738.464, 0.00288869/step, 3.80698 hours remaining, 205.738281 MB of memory in use. ENERGY: 255600 720.9271 2109.9958 1960.0792 104.7523 -206485.3064 17962.6619 0.0000 0.0000 33940.2639 -149686.6261 296.4088 -183626.8900 -149594.4675 297.2813 -18.2057 11.4924 559178.3394 -4.9225 -4.8426 PRESSURE: 255800 -250.859 123.522 32.4791 123.522 -174.631 -111.529 32.4793 -111.528 -123.547 GPRESSURE: 255800 -297.857 128.153 -52.8135 188.188 -102.294 -111.794 107.88 -123.995 -43.7335 PRESSAVG: 255800 51.9939 40.9804 7.62551 40.9805 -58.271 -18.8815 7.62551 -18.8816 32.6549 GPRESSAVG: 255800 50.3889 41.0748 7.41628 41.5807 -57.779 -19.0543 6.55878 -19.2742 33.7059 TIMING: 255800 CPU: 739.039, 0.00287208/step Wall: 739.039, 0.00287208/step, 3.78493 hours remaining, 205.738281 MB of memory in use. ENERGY: 255800 729.2585 2095.4905 1920.3770 105.2735 -206089.6715 17548.7650 0.0000 0.0000 34180.5437 -149509.9633 298.5072 -183690.5070 -149420.5231 297.7095 -183.0125 -147.9614 557663.8129 8.7926 8.7719 PRESSURE: 256000 -57.2889 70.7154 89.5362 70.7155 -76.5485 -103.288 89.5368 -103.288 152.985 GPRESSURE: 256000 -13.0729 157.6 101.376 -23.9403 5.91284 -105.981 -29.6347 -88.5537 140.863 PRESSAVG: 256000 56.4321 21.7527 -32.1403 21.7527 -66.0756 -0.361539 -32.1403 -0.361567 -47.5707 GPRESSAVG: 256000 57.3774 21.0036 -31.69 20.0949 -67.0845 -0.149294 -31.191 1.34336 -47.5557 TIMING: 256000 CPU: 739.618, 0.0028949/step Wall: 739.618, 0.0028949/step, 3.81483 hours remaining, 205.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 256000 735.0324 2058.9342 1913.8771 106.3801 -206310.0175 17860.0999 0.0000 0.0000 34109.5585 -149526.1354 297.8873 -183635.6938 -149433.5318 298.3171 6.3826 44.5677 556343.6366 -19.0714 -19.0876 PRESSURE: 256200 24.5898 35.4868 -172.073 35.4866 -162.131 -148.483 -172.073 -148.485 -143.814 GPRESSURE: 256200 20.6065 10.1556 -150.074 31.9418 -93.5949 -111.648 -179.821 -84.5744 -116.383 PRESSAVG: 256200 32.8629 25.0011 13.5585 25.001 14.4643 33.4468 13.5585 33.4467 -49.6496 GPRESSAVG: 256200 33.6165 23.3082 14.6196 27.5326 15.6499 32.603 11.9237 32.8727 -51.6526 TIMING: 256200 CPU: 740.2, 0.00290946/step Wall: 740.2, 0.00290946/step, 3.83386 hours remaining, 205.863281 MB of memory in use. ENERGY: 256200 764.8062 2047.0062 1956.8123 121.6339 -206222.6864 17686.5469 0.0000 0.0000 34107.1744 -149538.7064 297.8664 -183645.8808 -149446.1435 298.1533 -93.7851 -63.1237 557499.9777 -0.7741 -0.7954 LDB: ============= START OF LOAD BALANCING ============== 743.586 LDB: ============== END OF LOAD BALANCING =============== 743.586 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 743.588 LDB: ============= START OF LOAD BALANCING ============== 743.88 LDB: Largest compute 4822 load 0.023534 is 20.0% of average load 0.117792 LDB: Average compute 0.001716 is 1.5% of average load 0.117792 LDB: TIME 743.883 LOAD: AVG 0.117792 MAX 0.180102 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.168 MB LDB: TIME 743.883 LOAD: AVG 0.117792 MAX 0.180102 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.168 MB LDB: TIME 743.883 LOAD: AVG 0.117792 MAX 0.180102 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.168 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 743.885 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 743.889 PRESSURE: 256400 406.903 -22.3815 0.849007 -22.3822 140.345 -27.5065 0.847671 -27.5063 46.9549 GPRESSURE: 256400 436.243 -38.4789 90.6852 27.3012 167.031 12.6842 -61.8115 -33.4751 102.17 PRESSAVG: 256400 -19.0085 20.0826 -32.3111 20.0826 -7.24379 22.4636 -32.3112 22.4636 -10.3699 GPRESSAVG: 256400 -19.7664 20.6257 -32.8389 19.2415 -7.97418 25.2889 -33.3042 21.1281 -8.893 TIMING: 256400 CPU: 740.793, 0.00296851/step Wall: 740.793, 0.00296851/step, 3.91151 hours remaining, 204.125000 MB of memory in use. ENERGY: 256400 796.2580 2065.7197 1965.2869 93.7378 -206559.9619 18147.2761 0.0000 0.0000 34052.6726 -149439.0107 297.3905 -183491.6833 -149344.8401 298.2873 198.0675 235.1479 556599.1525 -12.2074 -12.2112 PRESSURE: 256600 332.833 149.177 -30.9728 149.177 192.103 1.55137 -30.9726 1.55058 69.0195 GPRESSURE: 256600 351.495 145.771 -17.0959 204.326 210.512 83.0492 -77.1829 -14.6509 128.444 PRESSAVG: 256600 69.3501 43.4649 -15.2575 43.465 -38.5938 9.31822 -15.2574 9.31828 1.34679 GPRESSAVG: 256600 70.1405 45.3596 -15.4609 43.1713 -40.686 7.01493 -14.5227 10.2326 1.82862 TIMING: 256600 CPU: 741.38, 0.00293393/step Wall: 741.38, 0.00293393/step, 3.86577 hours remaining, 204.160156 MB of memory in use. ENERGY: 256600 752.5428 2023.3443 1948.4091 95.0323 -206300.6646 18126.1066 0.0000 0.0000 34095.1461 -149260.0834 297.7614 -183355.2296 -149161.3049 298.7557 197.9852 230.1504 556602.8665 10.7010 10.4277 PRESSURE: 256800 -171.297 -40.3746 7.18678 -40.376 146.63 -30.0611 7.18563 -30.0618 -13.006 GPRESSURE: 256800 -82.6233 -13.4038 17.1094 -52.8893 143.97 -14.0063 91.4896 -90.0348 10.1322 PRESSAVG: 256800 22.117 -10.7869 -34.4622 -10.787 -1.98248 -46.1007 -34.4624 -46.1006 -24.3697 GPRESSAVG: 256800 21.7147 -13.071 -35.1167 -11.4045 0.365603 -45.4971 -34.4526 -45.2062 -26.4448 TIMING: 256800 CPU: 741.958, 0.00289128/step Wall: 741.958, 0.00289128/step, 3.80942 hours remaining, 204.160156 MB of memory in use. ENERGY: 256800 738.4597 2060.0806 1942.2129 125.8882 -205822.6377 17619.1462 0.0000 0.0000 34062.2311 -149274.6190 297.4739 -183336.8501 -149180.5547 298.5607 -12.5577 23.8264 556853.7260 -1.4117 -1.4548 PRESSURE: 257000 -55.8083 38.3264 63.7101 38.3271 105.08 132.07 63.7112 132.067 -437.344 GPRESSURE: 257000 -91.3197 100.272 9.2926 -10.4391 137.547 152.426 85.0248 76.4472 -331.262 PRESSAVG: 257000 51.299 -50.9543 19.7107 -50.9543 -16.9871 28.0342 19.7106 28.0341 -37.7592 GPRESSAVG: 257000 51.651 -50.0927 19.6765 -51.0028 -17.9578 29.9121 21.1099 24.4887 -36.3269 TIMING: 257000 CPU: 742.534, 0.00287899/step Wall: 742.534, 0.00287899/step, 3.79307 hours remaining, 204.242188 MB of memory in use. ENERGY: 257000 740.7817 2057.2152 1910.3951 117.6734 -205843.3993 17421.4827 0.0000 0.0000 34382.5689 -149213.2822 300.2715 -183595.8511 -149122.5134 298.9273 -129.3573 -95.0115 556795.8474 -1.1491 -0.8779 PRESSURE: 257200 -245.485 -29.8911 -97.4834 -29.8915 -150.246 -4.26358 -97.4845 -4.26495 -367.109 GPRESSURE: 257200 -211.897 39.2114 -135.402 44.4786 -119.614 -15.7556 -101.424 -109.435 -351.014 PRESSAVG: 257200 43.9163 -0.986265 -35.0401 -0.986281 30.5394 3.11526 -35.04 3.11535 -32.5864 GPRESSAVG: 257200 43.4439 -0.730687 -34.8318 -0.0438676 31.0113 2.21933 -35.4331 6.68081 -32.6385 TIMING: 257200 CPU: 743.109, 0.00287589/step Wall: 743.109, 0.00287589/step, 3.78883 hours remaining, 204.242188 MB of memory in use. ENERGY: 257200 744.8607 2082.3635 1961.4352 113.5568 -205742.0853 17475.5124 0.0000 0.0000 34119.0998 -149245.2568 297.9706 -183364.3566 -149151.4045 299.4086 -254.2799 -227.5085 558514.4845 13.9564 13.9389 PRESSURE: 257400 -337.116 56.494 -264.797 56.4943 62.325 78.0142 -264.8 78.0134 -180.754 GPRESSURE: 257400 -275.588 74.6492 -336.79 38.0864 47.0087 -13.8736 -293.339 127.921 -118.111 PRESSAVG: 257400 -20.0241 -31.2024 -64.4462 -31.2024 109.433 43.4511 -64.4463 43.4511 -61.5099 GPRESSAVG: 257400 -19.8818 -31.6611 -64.2722 -31.317 110.363 41.2544 -63.5734 41.8028 -62.3117 TIMING: 257400 CPU: 743.688, 0.00289483/step Wall: 743.688, 0.00289483/step, 3.81362 hours remaining, 204.242188 MB of memory in use. ENERGY: 257400 764.6807 2023.1458 1949.6259 121.5254 -206081.1891 17663.1426 0.0000 0.0000 34283.2584 -149275.8101 299.4042 -183559.0685 -149170.3334 299.1004 -151.8483 -115.5635 558152.9336 9.2996 9.3898 PRESSURE: 257600 -231.802 -14.0671 -18.4461 -14.0678 -101.582 -77.6104 -18.4461 -77.6091 33.7639 GPRESSURE: 257600 -177.985 -47.8614 61.3473 40.2781 -67.6343 -127.731 -4.2984 -1.94417 54.2356 PRESSAVG: 257600 -22.5863 -30.092 21.0093 -30.092 49.4381 54.0549 21.0092 54.055 -11.912 GPRESSAVG: 257600 -23.4978 -30.2721 21.3642 -29.3938 48.3603 57.8474 19.7438 52.2083 -10.1282 TIMING: 257600 CPU: 744.265, 0.00288135/step Wall: 744.265, 0.00288135/step, 3.7957 hours remaining, 204.242188 MB of memory in use. ENERGY: 257600 793.2307 2015.8862 1945.6796 115.2882 -206211.0713 17929.0932 0.0000 0.0000 34312.0760 -149099.8173 299.6559 -183411.8933 -148999.0379 298.8870 -99.8734 -63.7947 558139.4059 4.9799 4.9114 PRESSURE: 257800 -123.108 145.565 -62.7297 145.565 -120.543 -21.1903 -62.7303 -21.1905 10.3941 GPRESSURE: 257800 -89.7659 158.453 -135.158 41.4799 -93.2637 -90.1695 -29.1138 -70.6618 41.7328 PRESSAVG: 257800 -37.1938 51.004 33.2823 51.004 -8.03893 55.4629 33.2823 55.4629 7.87969 GPRESSAVG: 257800 -37.1983 51.2534 33.2617 49.6597 -7.32295 51.7964 34.0792 58.3684 6.6608 TIMING: 257800 CPU: 744.839, 0.00287172/step Wall: 744.839, 0.00287172/step, 3.78286 hours remaining, 204.242188 MB of memory in use. ENERGY: 257800 723.4025 2083.6075 1951.5475 112.4307 -205946.8932 17736.8309 0.0000 0.0000 34279.5459 -149059.5283 299.3718 -183339.0741 -148963.9651 299.0834 -77.7522 -47.0989 557787.1607 -12.4510 -12.6201 PRESSURE: 258000 80.9709 83.5165 145.089 83.5166 56.0968 117.167 145.089 117.167 122.331 GPRESSURE: 258000 110.382 3.91189 69.1975 116.1 132.2 124.182 115.676 191.1 97.1959 PRESSAVG: 258000 14.095 -25.0974 -89.7405 -25.0973 16.0985 -5.4038 -89.7406 -5.40376 1.67005 GPRESSAVG: 258000 13.7004 -24.36 -89.5998 -24.176 16.194 -6.70588 -91.4356 -6.98273 1.9359 TIMING: 258000 CPU: 745.415, 0.0028806/step Wall: 745.415, 0.0028806/step, 3.79439 hours remaining, 204.242188 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: 258000 739.8091 2097.0942 1943.0863 130.3147 -206104.8418 17859.4145 0.0000 0.0000 34356.3671 -148978.7560 300.0427 -183335.1231 -148887.0117 299.4136 86.4662 113.2592 558747.3860 10.6212 10.6101 PRESSURE: 258200 -281.256 -37.9986 -91.3494 -37.9991 227.458 15.3242 -91.3494 15.3242 -230.156 GPRESSURE: 258200 -258.021 2.73249 -96.2335 -32.7686 204.605 -27.4335 -52.875 38.8953 -134.993 PRESSAVG: 258200 43.1584 16.403 48.9015 16.4031 -16.35 20.0829 48.9015 20.0829 15.0202 GPRESSAVG: 258200 43.3598 17.1911 46.1276 15.4192 -16.2926 23.0334 51.6016 19.8763 14.2756 TIMING: 258200 CPU: 745.99, 0.00287493/step Wall: 745.99, 0.00287493/step, 3.78676 hours remaining, 204.242188 MB of memory in use. ENERGY: 258200 730.3378 2125.9504 1929.5735 119.9874 -205991.9277 17666.5406 0.0000 0.0000 34424.9054 -148994.6325 300.6413 -183419.5379 -148907.3328 300.1665 -94.6513 -62.8032 558722.6693 13.9429 13.7809 PRESSURE: 258400 -4.13068 -152.366 46.0139 -152.365 -49.7866 49.7593 46.0126 49.7598 -43.2598 GPRESSURE: 258400 60.5712 -105.588 88.6748 -123.783 -58.9388 43.4252 -16.6267 58.3402 3.30375 PRESSAVG: 258400 -48.2553 -41.9536 -6.80426 -41.9537 43.2919 31.6862 -6.8042 31.6862 -7.61587 GPRESSAVG: 258400 -47.6259 -41.5346 -5.04746 -41.254 43.1148 31.1573 -10.4201 31.2722 -7.76966 TIMING: 258400 CPU: 746.568, 0.00289138/step Wall: 746.568, 0.00289138/step, 3.80826 hours remaining, 204.445312 MB of memory in use. ENERGY: 258400 743.4644 2133.9004 1936.6459 112.1442 -205886.6463 17701.6577 0.0000 0.0000 34269.5903 -148989.2434 299.2849 -183258.8337 -148894.1126 299.7370 -32.3923 1.6454 558021.9663 -4.1931 -4.0936 PRESSURE: 258600 213.306 86.5626 -4.44711 86.5627 194.592 78.5159 -4.44644 78.5152 118.077 GPRESSURE: 258600 229.862 100.128 -78.3246 6.84895 269.956 85.351 24.5758 -30.1289 123.124 PRESSAVG: 258600 25.2072 -28.3567 2.19417 -28.3567 -49.2302 14.8797 2.19417 14.8797 62.6369 GPRESSAVG: 258600 25.5909 -30.7101 2.84109 -27.2901 -49.4131 16.2398 2.89969 15.052 62.3546 TIMING: 258600 CPU: 747.143, 0.00287265/step Wall: 747.143, 0.00287265/step, 3.78344 hours remaining, 204.445312 MB of memory in use. ENERGY: 258600 743.8670 2115.7424 1966.7625 106.9834 -206326.0505 18228.9355 0.0000 0.0000 34222.1602 -148941.5995 298.8706 -183163.7597 -148846.0567 300.1959 175.3251 207.6474 558903.1510 12.8713 12.8441 PRESSURE: 258800 -270.52 2.81334 -73.0704 2.81251 148.257 -219.335 -73.0703 -219.334 -253.549 GPRESSURE: 258800 -264.573 6.41781 15.4963 67.1268 167.866 -177.254 -69.2226 -256.82 -174.941 PRESSAVG: 258800 11.3795 -48.622 -8.34101 -48.622 29.5057 -2.42258 -8.34105 -2.42265 -40.1522 GPRESSAVG: 258800 11.6297 -48.4261 -10.7548 -49.5395 30.1863 -2.18658 -5.84795 -1.57687 -40.4826 TIMING: 258800 CPU: 747.72, 0.00288704/step Wall: 747.72, 0.00288704/step, 3.80224 hours remaining, 204.445312 MB of memory in use. ENERGY: 258800 748.4468 2082.9411 1954.8371 104.4121 -205849.0632 17665.0944 0.0000 0.0000 34338.1441 -148955.1878 299.8836 -183293.3318 -148846.6443 299.9583 -125.2706 -90.5493 558863.1107 0.2443 0.4444 PRESSURE: 259000 -59.5968 69.9528 -44.1554 69.953 -112.734 80.0429 -44.1547 80.0425 -232.307 GPRESSURE: 259000 -53.5436 118.655 41.442 98.3866 -28.2757 140.257 -53.2938 -26.413 -236.825 PRESSAVG: 259000 -9.99233 -45.4472 -67.1371 -45.4472 65.4874 -18.8322 -67.137 -18.8322 -53.5048 GPRESSAVG: 259000 -9.89005 -42.2024 -64.1026 -47.0077 64.9489 -19.5985 -70.0233 -19.1379 -53.7091 TIMING: 259000 CPU: 748.293, 0.00286489/step Wall: 748.293, 0.00286489/step, 3.7729 hours remaining, 204.445312 MB of memory in use. ENERGY: 259000 786.5325 2176.6836 1930.1114 114.0038 -206022.9188 17822.7905 0.0000 0.0000 34396.6388 -148796.1582 300.3944 -183192.7970 -148701.3170 300.7326 -134.8793 -106.2147 558523.3924 0.6634 0.4499 PRESSURE: 259200 -84.0138 -65.6328 -207.034 -65.633 98.6787 -121.731 -207.033 -121.732 -67.7189 GPRESSURE: 259200 -63.5288 -0.572535 -109.179 -105.194 122.845 -109.802 -213.071 -74.012 -14.9632 PRESSAVG: 259200 -32.6351 -56.4434 6.19081 -56.4435 18.5392 -3.49177 6.19067 -3.49176 39.2455 GPRESSAVG: 259200 -32.8862 -58.055 6.7112 -53.9838 19.0489 -3.2906 5.92698 -2.19195 39.5112 TIMING: 259200 CPU: 748.867, 0.00287026/step Wall: 748.867, 0.00287026/step, 3.77981 hours remaining, 204.445312 MB of memory in use. ENERGY: 259200 781.9580 2077.1434 1935.3776 115.9701 -206016.3520 17829.2628 0.0000 0.0000 34285.2050 -148991.4351 299.4212 -183276.6401 -148897.2456 300.4889 -17.6847 14.7842 558097.7760 8.3832 8.5580 PRESSURE: 259400 189.552 -46.6244 -165.568 -46.6245 17.4294 89.0054 -165.569 89.0039 3.48045 GPRESSURE: 259400 222.866 -46.9155 -153.894 1.3487 10.2112 188.041 -177.961 -77.5264 69.4953 PRESSAVG: 259400 -26.6781 -37.6598 -12.9364 -37.6597 9.25929 -9.02373 -12.9364 -9.02383 39.7127 GPRESSAVG: 259400 -26.381 -37.9314 -14.4919 -38.3571 7.62154 -11.0878 -11.2768 -9.76967 40.5186 TIMING: 259400 CPU: 749.442, 0.00287493/step Wall: 749.442, 0.00287493/step, 3.78581 hours remaining, 204.445312 MB of memory in use. ENERGY: 259400 777.8965 2082.6552 1939.7984 101.1534 -206041.4829 17857.3484 0.0000 0.0000 34284.9291 -148997.7019 299.4188 -183282.6310 -148908.7874 300.2071 70.1538 100.8576 556656.9907 7.4313 7.2530 PRESSURE: 259600 28.9798 -9.55855 35.7679 -9.55882 -121.647 127.314 35.7669 127.313 -22.8672 GPRESSURE: 259600 6.62411 -36.2352 14.7633 -30.1697 -109.725 51.1192 71.2821 88.6016 87.0796 PRESSAVG: 259600 -5.82301 9.02886 -34.5087 9.02879 -32.9199 -23.6415 -34.5087 -23.6415 43.6522 GPRESSAVG: 259600 -6.40831 8.4006 -35.7192 7.3887 -31.7687 -21.288 -32.5458 -23.621 43.2927 TIMING: 259600 CPU: 750.016, 0.00286855/step Wall: 750.016, 0.00286855/step, 3.77724 hours remaining, 204.445312 MB of memory in use. ENERGY: 259600 790.1672 2115.4113 1944.6188 108.0371 -206274.8425 17764.2104 0.0000 0.0000 34370.2615 -149182.1363 300.1640 -183552.3978 -149091.2167 299.3090 -38.5115 -5.3405 557518.2629 1.6364 1.7053 PRESSURE: 259800 -22.6534 88.4284 61.3732 88.4282 278.926 -130.918 61.3729 -130.919 -21.1584 GPRESSURE: 259800 1.66037 89.1815 34.0933 157.738 300.874 -81.2191 145.693 -150.636 24.9833 PRESSAVG: 259800 21.349 -2.05282 45.8469 -2.05277 -24.9707 -19.849 45.8469 -19.8491 21.2171 GPRESSAVG: 259800 21.2794 -2.41253 46.4251 1.10463 -24.8509 -21.8011 45.4717 -20.0192 21.3703 TIMING: 259800 CPU: 750.587, 0.00285618/step Wall: 750.587, 0.00285618/step, 3.7608 hours remaining, 204.445312 MB of memory in use. ENERGY: 259800 747.8228 2141.9313 1980.5259 122.1085 -206667.4792 18075.7211 0.0000 0.0000 34452.9564 -149146.4133 300.8862 -183599.3697 -149046.4043 300.0495 78.3714 109.1725 556357.9610 5.8651 5.9330 PRESSURE: 260000 -195.181 151.769 61.3376 151.768 -225.922 45.4628 61.3375 45.4621 -181.773 GPRESSURE: 260000 -166.373 83.1803 118.236 135.891 -223.505 50.3499 -23.9487 10.0205 -123.606 PRESSAVG: 260000 -18.3442 -15.7035 56.6855 -15.7035 18.0141 -43.5353 56.6854 -43.5354 -31.0041 GPRESSAVG: 260000 -17.2676 -16.6895 59.3438 -18.0476 17.7191 -42.6635 53.3636 -42.2731 -31.6519 TIMING: 260000 CPU: 751.16, 0.00286308/step Wall: 751.16, 0.00286308/step, 3.76972 hours remaining, 204.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 260000 771.8866 2174.2129 1927.5918 121.7088 -205772.1448 17509.9616 0.0000 0.0000 34056.3318 -149210.4513 297.4224 -183266.7831 -149123.5817 299.8701 -200.9589 -171.1616 556962.7283 -10.4448 -10.4001 PRESSURE: 260200 -52.9796 12.7327 95.2219 12.7322 -184.945 29.0782 95.2234 29.0776 -69.3567 GPRESSURE: 260200 -4.42539 40.8552 21.8735 -42.9306 -128.627 -75.0654 26.2789 130.977 -86.0566 PRESSAVG: 260200 9.43974 49.5823 56.6849 49.5823 11.44 14.0705 56.6849 14.0707 -35.646 GPRESSAVG: 260200 9.58458 50.9213 52.635 50.2691 11.3007 12.6719 58.084 14.6874 -35.5755 TIMING: 260200 CPU: 751.735, 0.0028776/step Wall: 751.735, 0.0028776/step, 3.78869 hours remaining, 204.445312 MB of memory in use. ENERGY: 260200 738.1080 2121.3342 1957.6474 117.8928 -206080.2368 17614.2914 0.0000 0.0000 34146.7222 -149384.2409 298.2118 -183530.9631 -149282.1084 299.0381 -102.4272 -73.0362 557257.9406 -4.9221 -4.8968 LDB: ============= START OF LOAD BALANCING ============== 755.119 LDB: ============== END OF LOAD BALANCING =============== 755.119 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 755.121 LDB: ============= START OF LOAD BALANCING ============== 755.408 LDB: Largest compute 4822 load 0.022831 is 19.4% of average load 0.117819 LDB: Average compute 0.001710 is 1.5% of average load 0.117819 LDB: TIME 755.41 LOAD: AVG 0.117819 MAX 0.180658 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.074 MB LDB: TIME 755.411 LOAD: AVG 0.117819 MAX 0.180658 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.273 MB LDB: TIME 755.411 LOAD: AVG 0.117819 MAX 0.180658 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.273 MB LDB: ============== END OF LOAD BALANCING =============== 755.413 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 755.417 PRESSURE: 260400 -19.646 140.615 71.4658 140.614 288.668 -24.7359 71.4662 -24.7356 17.56 GPRESSURE: 260400 31.0378 59.008 26.1481 166.799 311.317 -101.014 80.2085 -64.2109 38.8278 PRESSAVG: 260400 -41.8801 17.8762 21.1353 17.8762 46.2143 24.8686 21.1353 24.8686 -33.7569 GPRESSAVG: 260400 -43.0659 18.1218 23.9086 18.6819 47.1669 26.2145 19.7496 24.3349 -33.3421 TIMING: 260400 CPU: 752.321, 0.00292979/step Wall: 752.321, 0.00292979/step, 3.85724 hours remaining, 205.195312 MB of memory in use. ENERGY: 260400 718.3262 2059.2906 1948.6631 132.4475 -206505.8524 17978.2495 0.0000 0.0000 34151.6606 -149517.2149 298.2549 -183668.8755 -149418.7247 299.7136 95.5273 127.0609 555426.8821 -9.8076 -9.7471 PRESSURE: 260600 3.21306 -22.0333 58.3529 -22.0315 -124.149 -16.9232 58.3527 -16.9242 -120.003 GPRESSURE: 260600 -19.0725 -33.9228 63.0606 -83.58 -93.525 4.3213 -27.2391 1.26222 -28.2675 PRESSAVG: 260600 -6.03303 -28.8481 50.8521 -28.848 2.7044 -8.62243 50.8522 -8.62253 12.8063 GPRESSAVG: 260600 -5.38583 -29.3918 49.88 -27.7248 2.29904 -7.87398 52.224 -9.99809 12.7983 TIMING: 260600 CPU: 752.9, 0.00289223/step Wall: 752.9, 0.00289223/step, 3.80762 hours remaining, 205.394531 MB of memory in use. ENERGY: 260600 786.2058 2078.2923 1915.4125 119.6268 -206220.0171 17885.3085 0.0000 0.0000 33897.3115 -149537.8596 296.0337 -183435.1711 -149448.5865 299.0753 -80.3129 -46.9550 557670.6885 3.1592 3.2372 PRESSURE: 260800 222.38 22.5489 73.914 22.5487 -82.5114 95.6984 73.9142 95.6984 -96.2402 GPRESSURE: 260800 237.618 -11.4427 72.8742 -4.53044 -2.04791 -23.5743 61.7799 172.124 -101.274 PRESSAVG: 260800 6.94556 7.81712 15.71 7.81711 55.1406 7.02351 15.71 7.02347 -34.9621 GPRESSAVG: 260800 6.4556 10.5374 14.3201 5.74953 55.3375 5.75688 17.3298 7.12645 -34.8664 TIMING: 260800 CPU: 753.477, 0.00288517/step Wall: 753.477, 0.00288517/step, 3.79817 hours remaining, 205.394531 MB of memory in use. ENERGY: 260800 735.7365 2066.1498 1956.3076 111.7215 -206064.5120 17600.4984 0.0000 0.0000 34176.2357 -149417.8624 298.4696 -183594.0982 -149310.9010 297.9647 14.5428 44.7653 557034.8310 9.0413 8.9756 PRESSURE: 261000 59.4549 -53.4198 27.6443 -53.42 102.115 41.8956 27.6436 41.8977 179.659 GPRESSURE: 261000 101.363 -20.233 41.8086 -56.9413 160.256 -29.5535 32.6258 26.9133 179.263 PRESSAVG: 261000 -10.6559 0.512638 39.8932 0.51274 8.01131 -45.9002 39.8931 -45.9001 -5.87729 GPRESSAVG: 261000 -10.6535 -0.281336 39.8829 0.548139 8.81912 -47.5262 39.1128 -44.1427 -5.82952 TIMING: 261000 CPU: 754.053, 0.00288215/step Wall: 754.053, 0.00288215/step, 3.79403 hours remaining, 205.394531 MB of memory in use. ENERGY: 261000 723.6508 2081.1653 1954.6751 130.8598 -206591.6176 17953.6925 0.0000 0.0000 34224.8820 -149522.6921 298.8944 -183747.5741 -149426.0585 298.3296 113.7430 146.9607 554700.4633 -2.8406 -2.5546 PRESSURE: 261200 220.989 -114.078 -25.6275 -114.078 182.973 -58.369 -25.627 -58.3692 -26.0787 GPRESSURE: 261200 218.023 -146.812 -21.8905 -70.7377 198.623 -98.0335 -45.6168 40.71 62.0304 PRESSAVG: 261200 28.9124 -61.8465 24.9528 -61.8464 24.4601 -23.4886 24.9528 -23.4885 -9.03526 GPRESSAVG: 261200 28.4895 -62.9312 27.7728 -60.2291 23.559 -21.3955 25.5667 -25.2358 -8.16972 TIMING: 261200 CPU: 754.629, 0.00287914/step Wall: 754.629, 0.00287914/step, 3.78991 hours remaining, 205.464844 MB of memory in use. ENERGY: 261200 726.1449 2011.9772 1920.9935 111.0965 -205947.5539 17736.6025 0.0000 0.0000 34086.1895 -149354.5499 297.6832 -183440.7394 -149252.7468 298.8686 125.9612 159.5588 557071.1408 14.7791 14.6263 PRESSURE: 261400 74.0372 120.829 84.5261 120.83 -146.877 -94.009 84.5259 -94.0096 158.948 GPRESSURE: 261400 116.195 136.375 88.5965 98.8067 -132.53 -112.184 52.0806 -35.2127 201.741 PRESSAVG: 261400 35.542 -87.7354 61.0568 -87.7354 36.617 -13.114 61.0568 -13.1139 -65.8982 GPRESSAVG: 261400 35.7785 -86.9502 59.1445 -89.9827 37.1943 -13.7619 59.5311 -12.7424 -66.5794 TIMING: 261400 CPU: 755.207, 0.00288961/step Wall: 755.207, 0.00288961/step, 3.80353 hours remaining, 205.464844 MB of memory in use. ENERGY: 261400 754.5291 2075.4757 1934.6949 121.5768 -206262.6083 17762.1021 0.0000 0.0000 34427.8474 -149186.3824 300.6670 -183614.2298 -149092.7149 299.2065 28.7025 61.8021 556085.8914 2.0869 2.1311 PRESSURE: 261600 -48.4957 165.646 -87.778 165.645 -61.6254 61.4487 -87.7788 61.4478 0.00855867 GPRESSURE: 261600 -14.0699 131.757 -155.851 170.91 3.95164 -64.2366 -50.2052 121.901 -7.82405 PRESSAVG: 261600 -32.7162 19.4224 -57.6757 19.4224 -9.51745 -6.85838 -57.6757 -6.85844 0.18965 GPRESSAVG: 261600 -30.6982 17.9332 -58.2095 20.6219 -10.6686 -6.74125 -57.2146 -5.65071 -0.305452 TIMING: 261600 CPU: 755.783, 0.00287921/step Wall: 755.783, 0.00287921/step, 3.78968 hours remaining, 205.464844 MB of memory in use. ENERGY: 261600 803.0063 1997.5185 1939.6084 119.2448 -206225.1366 17967.4062 0.0000 0.0000 34288.0322 -149110.3201 299.4459 -183398.3523 -149017.3729 300.0026 -36.7042 -5.9808 557069.3572 -14.0147 -13.8908 PRESSURE: 261800 -152.488 54.0441 -8.35238 54.0442 31.9981 38.3768 -8.35137 38.3777 162.387 GPRESSURE: 261800 -117.367 51.3292 -29.435 49.8287 60.9814 16.4269 -102.874 -67.744 193.936 PRESSAVG: 261800 -65.2863 -24.5621 -51.04 -24.5621 57.1017 -28.4939 -51.04 -28.4937 38.6917 GPRESSAVG: 261800 -66.4607 -23.7223 -50.4414 -25.3168 57.113 -28.5987 -51.9845 -27.9568 39.7937 TIMING: 261800 CPU: 756.365, 0.00290828/step Wall: 756.365, 0.00290828/step, 3.82778 hours remaining, 205.464844 MB of memory in use. ENERGY: 261800 732.9744 2099.0783 1917.5715 114.8576 -206348.8413 17970.5475 0.0000 0.0000 34394.4004 -149119.4115 300.3749 -183513.8120 -149021.0336 299.3828 13.9660 45.8502 558574.2624 10.1690 10.1487 PRESSURE: 262000 25.7105 -129.087 -114.833 -129.088 -1.99381 53.6659 -114.833 53.6651 215.363 GPRESSURE: 262000 57.7238 -38.6575 -158.674 -286.502 39.3261 81.9054 -65.681 111.818 243.768 PRESSAVG: 262000 -14.4457 -5.73682 -2.84548 -5.73681 12.7841 -1.43634 -2.84539 -1.43633 62.176 GPRESSAVG: 262000 -13.7628 -6.80847 -3.0611 -4.44691 12.4052 -2.02403 0.00502747 -0.361197 62.3934 TIMING: 262000 CPU: 756.941, 0.00288253/step Wall: 756.941, 0.00288253/step, 3.79373 hours remaining, 205.464844 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: 262000 714.6895 2108.3570 1935.1448 117.5854 -206101.3179 17906.4146 0.0000 0.0000 34262.5425 -149056.5843 299.2233 -183319.1267 -148957.1440 300.2980 79.6932 113.6061 558181.6518 20.1715 20.3453 PRESSURE: 262200 110.901 -128.388 -101.407 -128.388 181.272 -93.9107 -101.406 -93.9105 46.3962 GPRESSURE: 262200 132.375 -93.6342 -103.404 -123.491 204.685 -190.794 -62.6582 19.8468 88.4415 PRESSAVG: 262200 5.0696 -1.86864 -20.619 -1.86863 12.9268 -18.4241 -20.619 -18.4241 9.77514 GPRESSAVG: 262200 4.11715 -2.86178 -19.2258 -3.1116 13.0925 -18.5782 -23.053 -18.5222 10.3987 TIMING: 262200 CPU: 757.512, 0.00285702/step Wall: 757.512, 0.00285702/step, 3.76 hours remaining, 205.464844 MB of memory in use. ENERGY: 262200 719.4149 2076.7430 1926.8783 112.5655 -206009.9725 17818.1749 0.0000 0.0000 34480.7420 -148875.4541 301.1289 -183356.1961 -148778.2502 299.8630 112.8565 141.8338 557369.2685 9.2572 9.2028 PRESSURE: 262400 -227.326 197.26 133.044 197.258 -101.94 -63.6029 133.043 -63.6018 -309.869 GPRESSURE: 262400 -246.001 187.251 133.979 207.121 -61.2957 -81.6711 106.968 -40.2994 -231.028 PRESSAVG: 262400 41.2925 35.3414 -43.3889 35.3413 3.64988 -24.6358 -43.3889 -24.6358 -28.548 GPRESSAVG: 262400 42.3732 38.1072 -42.8883 35.065 3.65588 -25.023 -45.0185 -26.0872 -29.7219 TIMING: 262400 CPU: 758.088, 0.00287669/step Wall: 758.088, 0.00287669/step, 3.78573 hours remaining, 205.464844 MB of memory in use. ENERGY: 262400 753.5840 2053.0730 1947.3538 120.2988 -205479.2301 17377.5224 0.0000 0.0000 34267.0601 -148960.3380 299.2628 -183227.3981 -148859.1569 300.5871 -213.0451 -179.4414 558823.8238 5.4648 5.4357 PRESSURE: 262600 84.3274 -20.8619 -220.779 -20.8633 -410.437 -196.452 -220.778 -196.454 -4.30288 GPRESSURE: 262600 55.3 -18.1056 -266.309 -40.7784 -299.074 -189.667 -205.427 -195.447 15.6176 PRESSAVG: 262600 -8.59887 15.0338 48.6576 15.0338 14.3118 16.0781 48.6576 16.078 -31.5669 GPRESSAVG: 262600 -9.20728 13.3578 48.6466 15.4781 13.9824 18.2199 51.2598 13.6601 -30.6787 TIMING: 262600 CPU: 758.667, 0.00289607/step Wall: 758.667, 0.00289607/step, 3.81107 hours remaining, 205.464844 MB of memory in use. ENERGY: 262600 718.0621 2067.7439 1969.2045 125.8321 -205726.2091 17678.1675 0.0000 0.0000 34169.6834 -148997.5157 298.4123 -183167.1991 -148903.2671 300.3181 -110.1375 -76.0521 558870.0978 -8.6180 -8.6345 PRESSURE: 262800 -24.2348 -55.8663 218.992 -55.8669 -108.412 22.3875 218.993 22.388 95.6499 GPRESSURE: 262800 -24.0283 -29.3918 218.504 -52.2744 -83.2768 2.59901 185.597 12.5773 166.223 PRESSAVG: 262800 14.0163 -37.7247 -28.4743 -37.7248 -31.1872 52.7308 -28.4743 52.7308 45.425 GPRESSAVG: 262800 14.6199 -37.7377 -29.3985 -37.2024 -29.8302 50.7037 -28.5611 56.5566 43.9391 TIMING: 262800 CPU: 759.243, 0.00287919/step Wall: 759.243, 0.00287919/step, 3.7887 hours remaining, 205.464844 MB of memory in use. ENERGY: 262800 733.8790 2075.9722 1977.5669 118.0957 -206236.9758 17743.7250 0.0000 0.0000 34419.8892 -149167.8479 300.5975 -183587.7370 -149076.2502 299.3691 -12.3325 19.6393 557375.8800 9.4180 9.5763 PRESSURE: 263000 -30.137 -88.1553 105.591 -88.1553 132.494 -16.6772 105.593 -16.6778 -68.2865 GPRESSURE: 263000 36.6901 -58.3716 105.276 -33.3635 146.42 26.0809 105.323 -61.4803 -60.0807 PRESSAVG: 263000 103.727 44.8179 -78.2536 44.8179 -44.6583 32.1941 -78.2536 32.1942 -53.5029 GPRESSAVG: 263000 102.643 46.8705 -79.0085 45.8765 -45.4457 33.2358 -78.8407 28.5355 -52.2125 TIMING: 263000 CPU: 759.818, 0.00287744/step Wall: 759.818, 0.00287744/step, 3.78623 hours remaining, 205.464844 MB of memory in use. ENERGY: 263000 738.9158 2127.1239 1921.2706 118.0183 -206062.4425 17751.1499 0.0000 0.0000 34360.9622 -149045.0018 300.0828 -183405.9640 -148951.6531 299.9700 11.3567 41.0098 556836.9654 1.8553 1.6618 PRESSURE: 263200 138.744 -155.553 -101.886 -155.553 99.3435 -17.3929 -101.885 -17.3938 -34.8165 GPRESSURE: 263200 127.557 -126.221 -85.364 -71.6565 156.86 -22.326 -35.1944 2.52405 5.58216 PRESSAVG: 263200 -59.9136 -36.4986 -69.1066 -36.4986 43.6256 45.5367 -69.1066 45.5367 36.9765 GPRESSAVG: 263200 -59.8845 -37.7779 -71.1925 -38.4226 43.8702 45.338 -67.481 47.2715 36.1472 TIMING: 263200 CPU: 760.392, 0.00286638/step Wall: 760.392, 0.00286638/step, 3.77151 hours remaining, 205.464844 MB of memory in use. ENERGY: 263200 738.7546 2081.6170 1962.0761 124.1300 -206112.4513 17907.4375 0.0000 0.0000 34052.0555 -149246.3806 297.3851 -183298.4361 -149154.3546 299.5319 67.7571 96.6665 557246.4614 6.8962 6.7110 PRESSURE: 263400 142.521 -147.16 -141.126 -147.162 -43.042 -127.361 -141.126 -127.361 -47.1307 GPRESSURE: 263400 157.151 -108.503 -155.077 -96.723 21.4011 -227.769 -148.178 -132.388 -20.4907 PRESSAVG: 263400 -17.0409 -67.4901 -47.1709 -67.4901 51.4768 2.79899 -47.1709 2.79906 -29.424 GPRESSAVG: 263400 -17.8721 -67.9568 -44.8189 -67.3173 51.9328 1.62055 -48.8939 4.43856 -29.456 TIMING: 263400 CPU: 760.968, 0.00288335/step Wall: 760.968, 0.00288335/step, 3.79368 hours remaining, 205.535156 MB of memory in use. ENERGY: 263400 737.0051 2122.9345 1931.6798 108.2031 -205958.8450 17738.9456 0.0000 0.0000 34358.7127 -148961.3641 300.0632 -183320.0768 -148864.3430 299.8935 17.4495 52.6871 558387.2017 1.6706 1.5349 PRESSURE: 263600 161.086 -105.789 -2.4568 -105.79 -185.781 128.412 -2.45725 128.413 48.8519 GPRESSURE: 263600 182.605 -107.622 -109.085 -58.7226 -133.317 208.158 96.1125 57 78.6814 PRESSAVG: 263600 -5.50603 -43.8628 -72.5183 -43.8629 45.9249 19.7473 -72.5185 19.7473 -10.4818 GPRESSAVG: 263600 -5.7512 -46.9543 -73.1725 -42.1429 45.8305 18.4763 -70.5944 19.8975 -10.3701 TIMING: 263600 CPU: 761.546, 0.002888/step Wall: 761.546, 0.002888/step, 3.79965 hours remaining, 205.535156 MB of memory in use. ENERGY: 263600 719.9674 2101.8317 1948.7004 125.6185 -206032.3838 17859.3746 0.0000 0.0000 34361.3872 -148915.5040 300.0865 -183276.8911 -148818.6244 300.1456 8.0521 42.6564 558165.7005 9.9790 9.9031 PRESSURE: 263800 -178.444 23.9246 138.609 23.9247 109.689 98.4894 138.609 98.4887 112.73 GPRESSURE: 263800 -103.269 85.8151 128.697 -70.624 122.523 95.0414 115.795 86.9649 117.867 PRESSAVG: 263800 -93.7081 -17.6007 -58.6349 -17.6007 22.2249 -27.4161 -58.6349 -27.416 66.673 GPRESSAVG: 263800 -94.0606 -15.6205 -58.1362 -19.0957 22.2598 -26.6229 -60.4379 -27.8969 67.3401 TIMING: 263800 CPU: 762.122, 0.00288134/step Wall: 762.122, 0.00288134/step, 3.79072 hours remaining, 205.535156 MB of memory in use. ENERGY: 263800 763.2932 2079.1785 1959.4103 127.9442 -205952.0937 17574.4648 0.0000 0.0000 34559.3638 -148888.4388 301.8155 -183447.8027 -148787.4352 300.2845 14.6582 45.7071 556728.0685 -1.6034 -1.4869 PRESSURE: 264000 -49.1057 -73.0784 40.5467 -73.0779 133.219 -52.397 40.5478 -52.3972 -22.6909 GPRESSURE: 264000 -8.41572 -48.8431 0.151126 -78.3987 172.968 -87.5871 80.4855 1.2758 -16.4268 PRESSAVG: 264000 -39.5531 3.18681 -32.3582 3.18685 23.2311 16.9538 -32.3582 16.9539 45.3308 GPRESSAVG: 264000 -38.4048 3.94098 -33.3065 3.01641 22.577 17.1463 -30.4876 16.917 44.8819 TIMING: 264000 CPU: 762.697, 0.00287639/step Wall: 762.697, 0.00287639/step, 3.78405 hours remaining, 205.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 264000 718.0999 2093.7953 1958.5009 118.9273 -205679.3852 17709.6051 0.0000 0.0000 34211.9739 -148868.4827 298.7817 -183080.4566 -148770.7956 300.5881 20.4740 49.3753 557003.2759 9.6696 9.6847 PRESSURE: 264200 2.90661 126.99 -165.407 126.989 -16.0048 13.3002 -165.408 13.2997 -164.01 GPRESSURE: 264200 -9.57599 103.478 -113.991 52.1327 -8.98244 97.4862 -123.301 -32.4639 -55.9042 PRESSAVG: 264200 -23.973 -6.34764 19.1938 -6.34765 13.8947 21.232 19.1937 21.232 -2.45692 GPRESSAVG: 264200 -24.6247 -6.46634 20.0689 -7.03634 13.9908 23.4396 18.2134 21.418 -1.56495 TIMING: 264200 CPU: 763.274, 0.00288106/step Wall: 763.274, 0.00288106/step, 3.79004 hours remaining, 205.535156 MB of memory in use. ENERGY: 264200 711.8648 2102.5099 1968.4512 95.6847 -206042.0406 17693.0496 0.0000 0.0000 34550.5441 -148919.9364 301.7385 -183470.4805 -148819.8457 300.5220 -59.0359 -24.8209 556986.3974 -4.1784 -4.0663 LDB: ============= START OF LOAD BALANCING ============== 766.658 LDB: ============== END OF LOAD BALANCING =============== 766.658 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 766.66 LDB: ============= START OF LOAD BALANCING ============== 766.949 LDB: Largest compute 4820 load 0.023818 is 20.2% of average load 0.117927 LDB: Average compute 0.001714 is 1.5% of average load 0.117927 LDB: TIME 766.952 LOAD: AVG 0.117927 MAX 0.180819 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.738 MB LDB: TIME 766.952 LOAD: AVG 0.117927 MAX 0.180819 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.941 MB LDB: TIME 766.952 LOAD: AVG 0.117927 MAX 0.180819 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 766.954 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 766.958 PRESSURE: 264400 -485.865 -57.1944 100.167 -57.1951 -243.684 -85.9483 100.168 -85.9465 -130.815 GPRESSURE: 264400 -359.743 61.2824 133.922 -107.837 -226.039 -189.667 31.1817 -52.1377 -176.126 PRESSAVG: 264400 -14.5205 -36.2986 -36.839 -36.2986 -18.0927 14.4563 -36.839 14.4563 41.7578 GPRESSAVG: 264400 -14.033 -35.8065 -35.9988 -34.5274 -18.1788 12.9451 -36.6729 13.8545 41.6479 TIMING: 264400 CPU: 763.862, 0.00294242/step Wall: 763.862, 0.00294242/step, 3.87059 hours remaining, 203.144531 MB of memory in use. ENERGY: 264400 768.5417 2051.8794 1955.5663 105.0633 -205620.9225 17321.2455 0.0000 0.0000 34399.4026 -149019.2237 300.4185 -183418.6263 -148926.2308 300.4439 -286.7881 -253.9695 556869.6245 3.0482 3.1454 PRESSURE: 264600 -66.6171 -10.3134 36.524 -10.3135 -236.122 33.1072 36.5254 33.1084 -49.0531 GPRESSURE: 264600 -4.9536 -125.295 73.9262 -22.2759 -176.608 36.5448 50.7553 49.356 -81.5964 PRESSAVG: 264600 -13.0106 -34.5584 -19.321 -34.5585 16.2813 23.3057 -19.3209 23.3057 17.3641 GPRESSAVG: 264600 -12.1744 -34.9606 -18.0678 -35.9024 16.8899 23.52 -20.3532 22.9463 15.4736 TIMING: 264600 CPU: 764.436, 0.00286697/step Wall: 764.436, 0.00286697/step, 3.77119 hours remaining, 203.144531 MB of memory in use. ENERGY: 264600 757.6919 2117.9322 1918.9819 109.5953 -206158.0869 17829.7857 0.0000 0.0000 34327.5814 -149096.5184 299.7913 -183424.0999 -149003.9139 300.7358 -117.2642 -87.7193 557555.1924 6.8783 6.7297 PRESSURE: 264800 138.561 20.2784 13.5419 20.2779 -151.154 21.7334 13.541 21.7322 -23.1169 GPRESSURE: 264800 182.633 90.2578 41.6322 -13.0745 -127.477 -28.7615 -44.9051 -44.5344 -2.345 PRESSAVG: 264800 13.2201 -30.345 58.5436 -30.345 20.3358 -0.139006 58.5436 -0.139054 -13.6237 GPRESSAVG: 264800 12.3739 -30.8593 56.862 -27.8601 20.4216 -0.575094 58.7727 -0.731734 -12.2558 TIMING: 264800 CPU: 765.009, 0.00286559/step Wall: 765.009, 0.00286559/step, 3.7692 hours remaining, 203.144531 MB of memory in use. ENERGY: 264800 756.8501 2076.8848 1924.6432 107.8333 -206445.5608 18022.7836 0.0000 0.0000 34386.8130 -149169.7528 300.3086 -183556.5658 -149073.1458 300.3632 -11.9034 17.6035 557722.5465 6.6441 6.8466 PRESSURE: 265000 -57.0475 99.4783 -46.5562 99.4784 -124.088 56.6715 -46.5559 56.6706 197.842 GPRESSURE: 265000 34.1456 -25.5931 -105.468 138.871 -149.241 88.7689 -15.8921 4.62711 223.837 PRESSAVG: 265000 -23.7442 1.18493 9.80396 1.18489 -6.91129 -29.2282 9.80394 -29.2281 40.1463 GPRESSAVG: 265000 -24.246 1.47956 9.95654 0.350944 -8.38209 -28.5774 8.38159 -28.3169 41.8245 TIMING: 265000 CPU: 765.584, 0.00287548/step Wall: 765.584, 0.00287548/step, 3.78206 hours remaining, 203.144531 MB of memory in use. ENERGY: 265000 738.7380 2082.7898 1951.0033 105.3604 -205757.6285 17795.0329 0.0000 0.0000 34147.3891 -148937.3149 298.2176 -183084.7040 -148851.3308 300.3064 5.5687 36.2471 557878.2611 3.1636 3.0655 PRESSURE: 265200 9.46674 -48.6649 37.2711 -48.6647 234.125 -119.887 37.2711 -119.888 93.1949 GPRESSURE: 265200 99.9394 -87.7769 63.3083 -40.3486 214.022 -111.108 25.6177 -84.8935 134.748 PRESSAVG: 265200 41.569 -17.9038 4.93417 -17.9039 52.4813 23.8499 4.93414 23.8498 -60.7588 GPRESSAVG: 265200 41.7264 -18.0359 3.04692 -18.5543 54.1429 27.0772 7.1878 22.3789 -61.6947 TIMING: 265200 CPU: 766.163, 0.00289566/step Wall: 766.163, 0.00289566/step, 3.80843 hours remaining, 203.144531 MB of memory in use. ENERGY: 265200 747.6462 2021.9721 1976.3666 112.8198 -206084.3721 17943.6132 0.0000 0.0000 34185.4752 -149096.4790 298.5503 -183281.9542 -149000.6297 299.1659 112.2621 149.5698 557789.6551 11.0972 11.3915 PRESSURE: 265400 -193.869 252.909 -213.813 252.909 -135.117 -191.364 -213.814 -191.363 -270.256 GPRESSURE: 265400 -199.738 277.289 -186.48 257.51 -85.6632 -95.8131 -192.139 -203.764 -216.93 PRESSAVG: 265400 -0.120365 -28.3551 -3.79974 -28.3551 55.6289 -31.0671 -3.79979 -31.0671 -57.6787 GPRESSAVG: 265400 0.106265 -29.051 -1.83547 -27.44 54.5452 -33.5348 -5.10027 -28.8698 -56.9746 TIMING: 265400 CPU: 766.739, 0.00288069/step Wall: 766.739, 0.00288069/step, 3.78859 hours remaining, 203.144531 MB of memory in use. ENERGY: 265400 753.6081 2077.9418 1984.9194 118.8210 -205736.7798 17461.8281 0.0000 0.0000 34329.9225 -149009.7389 299.8118 -183339.6614 -148916.8712 299.8962 -199.7473 -167.4437 558313.7646 -0.7234 -0.7744 PRESSURE: 265600 -25.9293 -31.6822 17.1992 -31.6828 142.275 44.7626 17.1985 44.7624 -22.8774 GPRESSURE: 265600 43.6251 10.638 102.254 95.7161 131.093 49.7904 94.1933 -70.9548 12.5874 PRESSAVG: 265600 -16.4862 48.4494 -19.9447 48.4492 3.23266 20.5401 -19.9448 20.5399 56.2517 GPRESSAVG: 265600 -17.6079 48.4287 -21.9724 47.3128 4.20391 21.1945 -16.8244 18.4656 56.4777 TIMING: 265600 CPU: 767.313, 0.00286995/step Wall: 767.313, 0.00286995/step, 3.7743 hours remaining, 203.144531 MB of memory in use. ENERGY: 265600 790.3446 2063.1127 1935.8292 117.1281 -206302.0782 17913.9453 0.0000 0.0000 34508.3528 -148973.3654 301.3700 -183481.7183 -148878.9349 300.9114 31.1560 62.4352 556587.8310 14.3327 14.3579 PRESSURE: 265800 -169.695 74.0284 78.9264 74.029 -180.038 34.5538 78.9264 34.555 207.29 GPRESSURE: 265800 -182.877 2.90193 75.4511 66.8975 -142.204 151.08 64.4128 -92.8426 287.908 PRESSAVG: 265800 -36.6221 28.8753 30.5136 28.8752 27.7001 21.6371 30.5136 21.637 25.5697 GPRESSAVG: 265800 -34.8857 29.6693 31.0423 28.5243 26.8405 23.1257 29.923 21.9092 25.1746 TIMING: 265800 CPU: 767.884, 0.00285581/step Wall: 767.884, 0.00285581/step, 3.75555 hours remaining, 203.144531 MB of memory in use. ENERGY: 265800 691.1434 2055.5358 1946.9442 113.4136 -205931.0426 17694.1279 0.0000 0.0000 34399.7419 -149030.1357 300.4215 -183429.8777 -148926.6457 300.1834 -47.4812 -12.3912 557721.5838 5.5492 5.7098 PRESSURE: 266000 -63.8978 -59.7818 -91.7018 -59.7821 -128.748 -8.03859 -91.7023 -8.03698 -17.4731 GPRESSURE: 266000 8.35723 -35.5529 -94.1633 -151.365 -140.174 -38.59 -55.1153 44.5256 17.3265 PRESSAVG: 266000 4.79032 -9.35556 -48.1121 -9.35554 -20.2678 32.3369 -48.1121 32.3367 37.9024 GPRESSAVG: 266000 3.66883 -8.01091 -48.776 -9.45708 -19.8051 28.9241 -47.988 34.2416 38.8372 TIMING: 266000 CPU: 768.458, 0.002868/step Wall: 768.458, 0.002868/step, 3.77142 hours remaining, 203.144531 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: 266000 731.5918 2088.6242 1976.2785 113.9773 -205898.2323 17555.7143 0.0000 0.0000 34276.5355 -149155.5106 299.3455 -183432.0461 -149060.8798 300.0730 -70.0398 -38.1635 558124.9851 7.4750 7.5670 PRESSURE: 266200 -411.959 -51.5425 -109.468 -51.5418 -241.643 -9.54418 -109.467 -9.54335 -125.414 GPRESSURE: 266200 -289.38 -77.6975 -105.283 -77.6341 -232.554 -41.3603 -72.2395 31.7812 -161.012 PRESSAVG: 266200 32.4447 -7.63401 -9.28844 -7.63399 -34.9851 -11.0862 -9.28842 -11.086 -3.69219 GPRESSAVG: 266200 33.1812 -9.86548 -10.7738 -6.45034 -35.3098 -7.25237 -9.76762 -13.9869 -3.97974 TIMING: 266200 CPU: 769.035, 0.00288471/step Wall: 769.035, 0.00288471/step, 3.79323 hours remaining, 203.144531 MB of memory in use. ENERGY: 266200 725.4845 2084.7653 1927.7287 112.5428 -205435.7288 17359.0315 0.0000 0.0000 34094.7587 -149131.4174 297.7580 -183226.1761 -149043.9857 299.5702 -259.6718 -227.6483 558856.0009 -2.0775 -2.0361 PRESSURE: 266400 111.254 48.8559 67.3814 48.8558 -208.27 -94.9193 67.3815 -94.9202 -54.7751 GPRESSURE: 266400 132.879 47.9547 98.3938 40.8788 -180.657 -251.743 49.754 -67.4536 6.6672 PRESSAVG: 266400 18.9376 -3.33069 -17.9756 -3.33076 -86.9364 18.2166 -17.9754 18.2166 67.2752 GPRESSAVG: 266400 18.6963 -0.913712 -14.6991 -5.22984 -85.8314 16.8467 -20.6502 20.5121 66.4309 TIMING: 266400 CPU: 769.61, 0.00287603/step Wall: 769.61, 0.00287603/step, 3.78166 hours remaining, 203.144531 MB of memory in use. ENERGY: 266400 742.5512 2057.0358 1974.4171 133.1322 -206120.5205 17707.2551 0.0000 0.0000 34275.6602 -149230.4689 299.3379 -183506.1291 -149136.9673 299.0887 -50.5969 -13.7037 557238.9739 -0.2412 -0.2347 PRESSURE: 266600 192.111 87.1172 28.565 87.1169 -315.224 14.3028 28.5645 14.3028 -80.3481 GPRESSURE: 266600 216.341 76.4804 -29.5152 48.8171 -328.628 25.5171 87.2881 -9.50146 -7.19693 PRESSAVG: 266600 -6.24233 89.145 -29.8358 89.1449 -62.3749 6.02677 -29.8358 6.02677 82.1948 GPRESSAVG: 266600 -6.27967 89.7378 -30.1362 89.8126 -64.1423 4.97526 -29.3637 6.16379 83.4486 TIMING: 266600 CPU: 770.194, 0.00291935/step Wall: 770.194, 0.00291935/step, 3.83846 hours remaining, 203.144531 MB of memory in use. ENERGY: 266600 742.4650 2084.5337 1952.1096 116.0032 -206033.2149 17727.3794 0.0000 0.0000 34176.4991 -149234.2248 298.4719 -183410.7240 -149138.7759 298.6975 -67.8201 -39.8277 558386.7301 4.5259 4.3422 PRESSURE: 266800 223.966 -154.014 -16.7049 -154.014 243.873 181.4 -16.704 181.4 62.5869 GPRESSURE: 266800 223.094 -161.102 28.3079 -90.8598 322.554 150.232 -61.7068 132.168 80.3938 PRESSAVG: 266800 38.9899 -38.8396 7.43056 -38.8396 -39.3344 45.4579 7.4305 45.458 3.8991 GPRESSAVG: 266800 38.9437 -39.1243 6.04259 -39.4612 -39.1225 47.2068 7.34844 46.0242 3.27742 TIMING: 266800 CPU: 770.775, 0.00290519/step Wall: 770.775, 0.00290519/step, 3.81967 hours remaining, 203.144531 MB of memory in use. ENERGY: 266800 697.2238 2025.7334 1957.6830 119.2758 -206299.1214 18029.9468 0.0000 0.0000 34226.6278 -149242.6308 298.9097 -183469.2586 -149156.2285 299.7494 176.8085 208.6806 557579.7064 1.1849 1.0329 PRESSURE: 267000 339.037 127.275 -172.995 127.274 -211.596 60.7115 -172.995 60.7103 -65.4124 GPRESSURE: 267000 379.47 128.097 -109.764 146.833 -162.364 11.9536 -144.877 95.1576 -62.8081 PRESSAVG: 267000 34.1611 -1.3571 -36.6192 -1.35711 -1.69678 10.4963 -36.6192 10.4964 -31.8631 GPRESSAVG: 267000 33.074 -3.3726 -37.0386 -0.285101 -1.30436 8.33558 -34.7509 10.3431 -31.1101 TIMING: 267000 CPU: 771.358, 0.00291345/step Wall: 771.358, 0.00291345/step, 3.83038 hours remaining, 203.144531 MB of memory in use. ENERGY: 267000 731.2025 2124.3184 1931.6619 120.7624 -206247.4777 17926.1957 0.0000 0.0000 34296.8723 -149116.4645 299.5231 -183413.3368 -149017.9110 299.0121 20.6764 51.4325 559498.3124 0.2004 0.2198 PRESSURE: 267200 -117.417 -156.375 26.4587 -156.375 -100.438 -157.141 26.4584 -157.139 40.9374 GPRESSURE: 267200 -81.7533 -173.266 66.8561 -43.4938 -41.0787 -62.6041 -5.20478 -181.62 42.9086 PRESSAVG: 267200 41.8216 49.0723 -45.2044 49.0723 15.4148 -33.95 -45.2043 -33.95 -28.6242 GPRESSAVG: 267200 42.1487 49.3042 -42.5993 47.8786 15.0302 -31.8717 -48.3204 -35.1165 -28.857 TIMING: 267200 CPU: 771.94, 0.0029131/step Wall: 771.94, 0.0029131/step, 3.82975 hours remaining, 203.144531 MB of memory in use. ENERGY: 267200 735.5355 2058.8857 1988.0559 111.3428 -205995.2947 17778.0673 0.0000 0.0000 34114.5732 -149208.8343 297.9311 -183323.4075 -149113.7603 299.7187 -58.9726 -26.6411 558220.6007 9.5374 9.4406 PRESSURE: 267400 -35.8509 -17.5247 -94.5639 -17.5246 389.759 96.4342 -94.5636 96.4347 -11.2895 GPRESSURE: 267400 -8.69257 23.3583 -140.122 -55.9124 398.209 82.8873 -73.4104 100.867 45.8654 PRESSAVG: 267400 -1.5255 -22.2194 -56.651 -22.2195 20.546 -35.5084 -56.6509 -35.5084 1.99772 GPRESSAVG: 267400 -0.119073 -20.7412 -56.6416 -20.7615 19.3757 -36.6367 -55.4251 -35.831 2.03854 TIMING: 267400 CPU: 772.514, 0.0028685/step Wall: 772.514, 0.0028685/step, 3.77096 hours remaining, 203.144531 MB of memory in use. ENERGY: 267400 745.0365 2060.2512 1943.9949 112.8752 -206838.1484 18103.7508 0.0000 0.0000 34392.0488 -149480.1910 300.3543 -183872.2398 -149379.3776 299.0264 114.2061 145.1272 556841.5273 7.0061 7.0984 PRESSURE: 267600 209.147 203.683 -7.88532 203.683 -82.9003 -66.7041 -7.88701 -66.7051 89.5892 GPRESSURE: 267600 282.23 86.4331 27.3733 256.573 -45.4513 -5.6024 36.08 -183.095 84.2962 PRESSAVG: 267600 -17.2547 16.1013 13.7317 16.1013 4.4212 -20.3112 13.7317 -20.3112 -12.8425 GPRESSAVG: 267600 -18.0264 15.4668 11.9283 15.5193 5.99246 -18.769 12.8584 -18.9665 -13.1137 TIMING: 267600 CPU: 773.095, 0.00290814/step Wall: 773.095, 0.00290814/step, 3.82291 hours remaining, 203.144531 MB of memory in use. ENERGY: 267600 727.1775 2069.9432 1927.9410 115.7598 -206377.7096 17858.8924 0.0000 0.0000 34293.1049 -149384.8908 299.4902 -183677.9957 -149295.7971 298.4330 71.9454 107.0250 557059.8457 -8.5587 -8.3825 PRESSURE: 267800 -40.8814 45.4792 -101.738 45.4784 -130.542 9.12357 -101.738 9.12372 -175.72 GPRESSURE: 267800 -41.3238 85.8203 -46.1161 -1.68566 -94.1549 -14.9416 -101.588 44.0197 -110.478 PRESSAVG: 267800 20.6255 -9.71433 -56.409 -9.71438 -45.9274 13.3623 -56.4089 13.3624 -10.2462 GPRESSAVG: 267800 20.9094 -11.2197 -56.2595 -8.89519 -45.6706 10.3893 -53.7648 13.8164 -10.774 TIMING: 267800 CPU: 773.679, 0.00291644/step Wall: 773.679, 0.00291644/step, 3.83366 hours remaining, 203.144531 MB of memory in use. ENERGY: 267800 773.8257 2110.5352 1939.5007 116.7978 -206438.4939 17768.4986 0.0000 0.0000 34175.9052 -149553.4307 298.4667 -183729.3359 -149464.9757 298.6641 -115.7146 -81.9857 555266.7637 -11.8494 -11.8451 PRESSURE: 268000 129.494 -124.078 -276.573 -124.078 -295.67 103.417 -276.573 103.416 -200.149 GPRESSURE: 268000 171.418 -50.3982 -198.117 -60.0881 -236.467 61.293 -260.859 110.105 -207.565 PRESSAVG: 268000 25.2708 -46.3903 -80.2595 -46.3902 59.1752 48.5026 -80.2595 48.5026 -48.183 GPRESSAVG: 268000 25.8194 -42.958 -80.1033 -47.8551 58.4054 50.5195 -81.2311 46.4556 -47.9518 TIMING: 268000 CPU: 774.258, 0.00289384/step Wall: 774.258, 0.00289384/step, 3.80379 hours remaining, 203.144531 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: 268000 783.5754 2064.7622 1924.5171 120.7537 -206260.4258 17649.2818 0.0000 0.0000 34288.8872 -149428.6484 299.4534 -183717.5356 -149333.8865 298.8626 -122.1081 -90.8711 557078.9491 12.0877 12.0910 PRESSURE: 268200 -234.892 -166.112 -27.7342 -166.113 -324.787 100.616 -27.7356 100.616 -216.901 GPRESSURE: 268200 -247.398 -117.982 -20.3676 -171.172 -245.603 86.7391 -36.1492 101.611 -199.408 PRESSAVG: 268200 -30.7887 -20.0832 -56.3661 -20.0833 -3.04117 26.0016 -56.3662 26.0016 48.8071 GPRESSAVG: 268200 -31.4315 -19.8588 -56.0074 -19.3822 -2.2891 24.3707 -56.8209 26.9374 49.4899 TIMING: 268200 CPU: 774.835, 0.00288849/step Wall: 774.835, 0.00288849/step, 3.7966 hours remaining, 203.144531 MB of memory in use. ENERGY: 268200 742.1786 2028.8055 1951.1340 124.6764 -205948.1181 17362.3229 0.0000 0.0000 34261.7209 -149477.2799 299.2161 -183739.0008 -149374.1679 299.1878 -258.8599 -230.8028 557681.1422 4.9924 5.2564 LDB: ============= START OF LOAD BALANCING ============== 778.22 LDB: ============== END OF LOAD BALANCING =============== 778.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 778.222 LDB: ============= START OF LOAD BALANCING ============== 778.509 LDB: Largest compute 4822 load 0.023824 is 20.2% of average load 0.117850 LDB: Average compute 0.001719 is 1.5% of average load 0.117850 LDB: TIME 778.512 LOAD: AVG 0.11785 MAX 0.178454 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.73 MB LDB: TIME 778.512 LOAD: AVG 0.11785 MAX 0.178454 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 778.512 LOAD: AVG 0.11785 MAX 0.178454 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 778.514 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 778.518 PRESSURE: 268400 -206.619 -28.0174 66.6582 -28.0167 37.1863 51.3474 66.6594 51.3487 -59.5256 GPRESSURE: 268400 -156.86 2.14455 135.593 -17.0641 126.291 33.8465 81.5049 30.5435 -82.506 PRESSAVG: 268400 104.035 -30.0144 -47.5467 -30.0143 -51.3955 33.3123 -47.5466 33.3123 -20.1575 GPRESSAVG: 268400 103.857 -30.4686 -48.3221 -31.0052 -50.9394 34.7572 -46.1297 31.7108 -20.0381 TIMING: 268400 CPU: 775.423, 0.0029367/step Wall: 775.423, 0.0029367/step, 3.8598 hours remaining, 203.660156 MB of memory in use. ENERGY: 268400 717.0643 2051.6205 1925.1047 117.1870 -206071.1565 17598.1166 0.0000 0.0000 34214.5354 -149447.5280 298.8040 -183662.0634 -149349.3323 298.4893 -76.3194 -37.6917 557807.9098 10.8272 10.9599 PRESSURE: 268600 194.66 -174.613 -120.474 -174.613 166.73 29.6022 -120.474 29.6011 107.069 GPRESSURE: 268600 220.489 -124.36 -140.443 -181.216 225.816 -26.1427 -114.721 -28.7331 108.962 PRESSAVG: 268600 33.6766 -43.1132 4.66998 -43.1132 -30.5619 -7.07975 4.67002 -7.07968 -9.0477 GPRESSAVG: 268600 34.2769 -43.6715 6.13621 -43.539 -31.1417 -5.19596 2.79052 -6.08694 -9.37406 TIMING: 268600 CPU: 775.994, 0.00285681/step Wall: 775.994, 0.00285681/step, 3.75464 hours remaining, 203.660156 MB of memory in use. ENERGY: 268600 716.6562 2044.6498 1957.6738 113.0577 -206418.1128 17919.3622 0.0000 0.0000 34245.1551 -149421.5581 299.0715 -183666.7131 -149325.7340 298.9129 156.1530 185.0887 556451.7310 -1.9777 -2.0796 PRESSURE: 268800 -114.748 120.923 -121.497 120.922 26.2236 -83.3355 -121.496 -83.3335 -155.287 GPRESSURE: 268800 -91.6392 7.30443 -195.749 135.966 72.0474 -166.775 -96.1865 -69.2093 -129.603 PRESSAVG: 268800 79.9698 -31.106 37.3203 -31.106 -32.2153 -45.6855 37.3202 -45.6857 -10.3306 GPRESSAVG: 268800 81.5247 -30.4218 37.1681 -30.8244 -33.2703 -47.6691 37.1987 -45.8329 -10.1959 TIMING: 268800 CPU: 776.569, 0.00287508/step Wall: 776.569, 0.00287508/step, 3.77849 hours remaining, 203.660156 MB of memory in use. ENERGY: 268800 750.2283 2037.1503 1946.7852 105.3197 -206165.0141 17639.0364 0.0000 0.0000 34248.5152 -149437.9789 299.1008 -183686.4941 -149338.8437 297.9265 -81.2705 -49.7317 557210.9415 12.4746 12.6862 PRESSURE: 269000 -64.6067 -2.70585 -38.3321 -2.70694 -228.203 -81.4345 -38.3322 -81.4351 -144.148 GPRESSURE: 269000 -68.4666 119.151 -78.9477 -24.9248 -151.991 -58.5443 17.8405 -95.5079 -130.544 PRESSAVG: 269000 -6.33528 14.2026 -25.023 14.2026 32.3843 -38.0802 -25.023 -38.0801 -30.5972 GPRESSAVG: 269000 -6.85851 11.7017 -22.668 16.558 33.1296 -36.8692 -24.3291 -38.8434 -30.4927 TIMING: 269000 CPU: 777.143, 0.00287089/step Wall: 777.143, 0.0028709/step, 3.77284 hours remaining, 203.863281 MB of memory in use. ENERGY: 269000 724.3910 2101.8561 1913.8818 111.7220 -205720.0194 17451.7431 0.0000 0.0000 34321.2731 -149095.1522 299.7362 -183416.4253 -148992.8001 299.6856 -145.6526 -117.0007 556376.2381 -1.5161 -1.4072 PRESSURE: 269200 -153.669 -115.018 -72.7067 -115.017 -142.131 91.8872 -72.7064 91.8876 66.8156 GPRESSURE: 269200 -118.362 -179.226 -63.0398 -152.398 -140.077 187.799 -180.479 55.7418 129.297 PRESSAVG: 269200 -35.6253 -28.129 -34.0205 -28.1289 48.9518 12.6869 -34.0206 12.6869 26.3571 GPRESSAVG: 269200 -36.8526 -27.1863 -37.7611 -28.4052 49.1922 11.7603 -33.6556 13.5267 26.8636 TIMING: 269200 CPU: 777.718, 0.00287502/step Wall: 777.718, 0.00287502/step, 3.7781 hours remaining, 203.863281 MB of memory in use. ENERGY: 269200 745.9430 2091.4973 1926.1432 106.1366 -206047.3948 17585.2059 0.0000 0.0000 34625.0207 -148967.4480 302.3889 -183592.4687 -148868.3666 299.7359 -76.3280 -43.0475 554574.2462 13.2279 13.0677 PRESSURE: 269400 -289.917 79.2573 44.7183 79.2585 60.3912 76.5623 44.7181 76.5622 44.5758 GPRESSURE: 269400 -267.092 122.487 65.0866 42.925 105.622 21.2545 -54.4585 135.859 63.925 PRESSAVG: 269400 -11.184 -39.2188 -24.4452 -39.2188 -85.1539 -9.01719 -24.4452 -9.01718 2.59221 GPRESSAVG: 269400 -10.5352 -39.1588 -23.2425 -40.1313 -84.7005 -11.2324 -25.3418 -8.78728 1.47067 TIMING: 269400 CPU: 778.29, 0.00285848/step Wall: 778.29, 0.00285848/step, 3.7562 hours remaining, 203.863281 MB of memory in use. ENERGY: 269400 753.1834 2071.5809 1956.0695 127.8871 -205892.3461 17711.8522 0.0000 0.0000 34306.9070 -148964.8659 299.6108 -183271.7729 -148869.9372 300.3818 -61.6500 -32.5149 556802.8852 -31.2486 -31.2550 PRESSURE: 269600 -229.941 13.5771 191.052 13.5771 -121.751 -38.7092 191.051 -38.7083 -24.6687 GPRESSURE: 269600 -184.49 94.645 301.467 -83.7068 -173.405 -102.825 94.4746 -89.4912 86.9989 PRESSAVG: 269600 -58.1471 17.7303 78.4669 17.7302 48.0677 -39.2229 78.4669 -39.2229 61.8192 GPRESSAVG: 269600 -58.8313 17.0102 78.4875 16.4299 48.8703 -38.274 80.8444 -39.2453 62.0705 TIMING: 269600 CPU: 778.863, 0.00286433/step Wall: 778.863, 0.00286433/step, 3.76373 hours remaining, 203.863281 MB of memory in use. ENERGY: 269600 729.1309 2067.9962 1941.2365 122.1740 -205681.6483 17578.7474 0.0000 0.0000 34401.8190 -148840.5443 300.4396 -183242.3632 -148748.0621 300.6724 -125.4536 -90.2988 557741.4210 17.2466 17.3698 PRESSURE: 269800 45.2186 -86.5188 112 -86.5191 -150.036 0.771468 111.998 0.769483 -104.249 GPRESSURE: 269800 74.004 -71.5638 58.0089 -94.7698 -85.0491 25.9191 85.6363 -15.8387 -79.3098 PRESSAVG: 269800 6.20589 13.4452 45.8962 13.4452 17.9215 -10.2993 45.8962 -10.2993 -32.9802 GPRESSAVG: 269800 6.86435 12.6544 42.8125 14.8191 16.974 -8.27187 46.4734 -11.6467 -32.4065 TIMING: 269800 CPU: 779.441, 0.00289392/step Wall: 779.441, 0.00289392/step, 3.80245 hours remaining, 203.863281 MB of memory in use. ENERGY: 269800 766.2907 2104.9269 1939.3002 118.8981 -205747.7904 17540.4503 0.0000 0.0000 34462.3830 -148815.5414 300.9686 -183277.9243 -148721.9221 301.2482 -69.6889 -30.1183 556317.9135 -2.9509 -2.8561 PRESSURE: 270000 -34.8265 -23.7334 -41.1762 -23.7343 -55.4469 -54.0546 -41.1761 -54.0547 -0.327484 GPRESSURE: 270000 -0.113872 81.399 -54.3034 -55.2435 -49.3965 -80.3821 -130.547 -40.381 55.0913 PRESSAVG: 270000 -43.9272 8.47655 -28.1967 8.47658 -25.8528 28.701 -28.1968 28.701 83.2276 GPRESSAVG: 270000 -43.8608 10.1194 -26.5782 7.46668 -24.5878 27.2723 -31.468 28.1594 82.0906 TIMING: 270000 CPU: 780.015, 0.0028678/step Wall: 780.015, 0.0028678/step, 3.76797 hours remaining, 203.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 270000 730.5406 2091.8422 1939.4992 116.9987 -205971.6917 17768.0171 0.0000 0.0000 34486.8293 -148837.9646 301.1821 -183324.7939 -148739.9472 300.8533 -30.2003 1.8603 557383.5925 4.4825 4.5473 PRESSURE: 270200 -404.254 110.148 10.6851 110.146 -209.679 -1.84879 10.6861 -1.84854 -172.542 GPRESSURE: 270200 -380.155 85.3607 34.7696 7.43316 -121.997 12.2264 -45.3363 41.6738 -196.121 PRESSAVG: 270200 -74.3283 -2.54504 22.7333 -2.5451 26.2772 -27.6484 22.7333 -27.6484 49.7203 GPRESSAVG: 270200 -74.2147 -4.84279 23.0301 -1.39886 26.2644 -27.6943 23.4819 -25.5914 49.5383 TIMING: 270200 CPU: 780.59, 0.00287382/step Wall: 780.59, 0.00287382/step, 3.77572 hours remaining, 203.863281 MB of memory in use. ENERGY: 270200 766.7344 2064.5339 1920.6992 115.5664 -205494.4948 17502.7035 0.0000 0.0000 34363.0375 -148761.2199 300.1010 -183124.2574 -148671.2434 300.4892 -262.1581 -232.7580 559302.0441 0.5564 0.5293 PRESSURE: 270400 -158.112 -49.7031 12.2467 -49.7028 36.3171 111.452 12.2458 111.452 158.403 GPRESSURE: 270400 -94.0511 -142.242 -93.1662 20.6046 50.69 167.873 116.195 -5.32601 176.39 PRESSAVG: 270400 -12.5794 19.8844 15.1907 19.8845 -52.8955 26.0904 15.1907 26.0904 46.2471 GPRESSAVG: 270400 -12.7168 21.2532 16.7068 21.2916 -51.9584 25.787 16.2308 25.9848 45.341 TIMING: 270400 CPU: 781.166, 0.00288254/step Wall: 781.166, 0.00288254/step, 3.78702 hours remaining, 203.863281 MB of memory in use. ENERGY: 270400 725.1189 2051.3341 1963.1440 112.5766 -205552.3966 17555.9260 0.0000 0.0000 34513.1605 -148631.1366 301.4120 -183144.2970 -148543.7532 301.0887 12.2028 44.3430 557489.4964 -6.4093 -6.4447 PRESSURE: 270600 -6.68692 112.342 -96.0011 112.342 197.345 15.9496 -96.0002 15.9506 46.5133 GPRESSURE: 270600 45.0666 60.4047 -136.345 80.8458 244.703 -69.1494 -116.441 7.60009 44.3462 PRESSAVG: 270600 -23.8218 41.3528 -21.2659 41.3526 9.79739 -9.61375 -21.266 -9.61379 27.5458 GPRESSAVG: 270600 -23.444 42.663 -23.9113 39.8092 8.19846 -10.9725 -19.5417 -9.25032 28.5621 TIMING: 270600 CPU: 781.743, 0.0028834/step Wall: 781.743, 0.0028834/step, 3.78798 hours remaining, 203.863281 MB of memory in use. ENERGY: 270600 746.0084 2057.4226 1938.9427 99.1901 -205896.5409 17852.6398 0.0000 0.0000 34492.6828 -148709.6544 301.2332 -183202.3372 -148616.6228 301.6740 79.0570 111.3718 556508.0493 4.5071 4.4388 PRESSURE: 270800 -374.748 44.1703 -138.428 44.1708 -451.872 -29.7993 -138.429 -29.7994 -117.332 GPRESSURE: 270800 -298.072 108.855 -139.55 62.0568 -432.844 22.4183 -121.327 -45.0046 -114.82 PRESSAVG: 270800 3.06309 22.8054 -42.6385 22.8054 -13.6796 -44.3486 -42.6386 -44.3486 27.7776 GPRESSAVG: 270800 2.48353 20.5881 -42.7475 22.5096 -13.3095 -43.724 -43.4235 -45.1218 27.867 TIMING: 270800 CPU: 782.319, 0.00287815/step Wall: 782.319, 0.00287815/step, 3.78093 hours remaining, 203.863281 MB of memory in use. ENERGY: 270800 768.8320 2057.3058 1943.5922 116.1081 -205478.7286 17254.9888 0.0000 0.0000 34470.7089 -148867.1929 301.0413 -183337.9018 -148775.6471 300.9830 -314.6510 -281.9121 557389.4213 5.7204 5.6804 PRESSURE: 271000 -157.215 -106.685 -114.168 -106.685 114.237 171.697 -114.168 171.698 2.10833 GPRESSURE: 271000 -76.7589 -124.787 -107.708 -83.7098 100.155 209.319 -136.274 166.932 29.0564 PRESSAVG: 271000 16.2193 -33.117 11.8623 -33.117 -88.3061 7.13613 11.8623 7.13609 80.2148 GPRESSAVG: 271000 17.3657 -31.8904 15.3763 -33.4671 -88.4492 7.64005 10.6313 7.50664 79.2476 TIMING: 271000 CPU: 782.895, 0.00287938/step Wall: 782.895, 0.00287938/step, 3.78239 hours remaining, 203.863281 MB of memory in use. ENERGY: 271000 743.4118 2057.1967 1937.1248 121.5794 -205862.1045 17594.9618 0.0000 0.0000 34301.0869 -149106.7431 299.5599 -183407.8300 -149012.4644 300.1920 -13.6230 17.4843 557268.7064 2.7093 2.7214 PRESSURE: 271200 83.1926 -44.8918 -24.9639 -44.892 -158.174 49.6027 -24.9631 49.6029 -291.99 GPRESSURE: 271200 82.2387 10.0821 20.6974 -23.7138 -150.345 54.1041 -85.4994 59.3455 -204.152 PRESSAVG: 271200 -5.76301 21.4696 -20.6987 21.4696 -3.32809 20.6609 -20.6986 20.6608 -18.4695 GPRESSAVG: 271200 -6.73293 20.6011 -23.3716 22.0962 -3.72128 20.7652 -19.1124 20.0392 -17.7278 TIMING: 271200 CPU: 783.473, 0.00289156/step Wall: 783.473, 0.00289156/step, 3.79823 hours remaining, 203.863281 MB of memory in use. ENERGY: 271200 753.0546 2027.7555 1966.8802 119.5209 -206192.6293 17682.3914 0.0000 0.0000 34551.1975 -149091.8292 301.7442 -183643.0267 -149007.8731 299.4452 -122.3238 -90.7528 558450.9163 -9.1869 -9.3940 PRESSURE: 271400 4.78501 -14.7209 151.193 -14.7197 -67.325 119.206 151.191 119.204 -156.5 GPRESSURE: 271400 71.091 -40.1094 171.313 8.08985 -105.029 195.569 116.713 23.3228 -97.856 PRESSAVG: 271400 78.5711 -6.54444 26.9474 -6.54446 16.1654 48.6904 26.9475 48.6904 -43.707 GPRESSAVG: 271400 77.7504 -6.98854 27.072 -5.92516 16.6994 51.5074 27.501 46.5421 -43.7538 TIMING: 271400 CPU: 784.051, 0.00289036/step Wall: 784.051, 0.00289036/step, 3.79649 hours remaining, 203.863281 MB of memory in use. ENERGY: 271400 752.7919 2100.8403 1927.1329 107.5672 -205728.4248 17597.7296 0.0000 0.0000 34276.0634 -148966.2995 299.3414 -183242.3629 -148863.7549 300.1557 -73.0132 -43.9312 557565.2183 17.0098 16.8987 PRESSURE: 271600 -63.0215 12.9495 -39.5282 12.9496 149.652 231.236 -39.5286 231.236 -40.2353 GPRESSURE: 271600 -12.5177 119.117 -55.5593 -126.764 187.345 226.599 -157.671 217.407 -19.2475 PRESSAVG: 271600 -11.1533 -10.2032 28.4872 -10.2032 -3.37254 67.3527 28.4872 67.3526 -63.7265 GPRESSAVG: 271600 -11.133 -8.94503 28.3973 -9.66073 -4.33684 64.5546 26.9612 68.8007 -63.3724 TIMING: 271600 CPU: 784.637, 0.00293116/step Wall: 784.637, 0.00293116/step, 3.84992 hours remaining, 203.863281 MB of memory in use. ENERGY: 271600 713.7612 2118.9417 1941.3683 107.6243 -206072.2765 17783.8561 0.0000 0.0000 34376.1274 -149030.5975 300.2153 -183406.7249 -148937.8974 299.7114 15.4649 51.8599 558097.5547 -26.0841 -26.2808 PRESSURE: 271800 -123.969 -137.234 -71.1159 -137.234 -140.324 98.7046 -71.1168 98.7039 -73.5368 GPRESSURE: 271800 -59.0483 -128.209 5.19523 -98.3888 -55.5819 163.698 -56.4588 -13.1624 -120.748 PRESSAVG: 271800 -20.2156 -5.29459 39.2043 -5.29458 39.1811 79.6523 39.2043 79.6521 -23.3015 GPRESSAVG: 271800 -18.8914 -5.85091 40.086 -4.7126 39.8619 81.1095 40.3622 78.736 -24.7662 TIMING: 271800 CPU: 785.215, 0.00288939/step Wall: 785.215, 0.00288939/step, 3.79489 hours remaining, 203.863281 MB of memory in use. ENERGY: 271800 779.5886 2088.6793 1961.6763 118.9874 -205916.8804 17666.6956 0.0000 0.0000 34336.8230 -148964.4302 299.8720 -183301.2532 -148870.7879 299.6871 -112.6099 -78.4593 556839.6376 -1.4454 -1.2652 PRESSURE: 272000 -203.19 -84.6152 49.4444 -84.6144 -188.807 -27.2152 49.443 -27.2162 264.623 GPRESSURE: 272000 -194.065 -115.655 95.2165 -101.052 -168.431 18.9951 27.8248 16.6811 324.073 PRESSAVG: 272000 4.85419 3.70743 -7.60406 3.7075 -43.8268 6.36617 -7.60408 6.36618 11.9532 GPRESSAVG: 272000 3.74074 3.16422 -9.1837 1.52904 -43.2289 6.61341 -6.22922 8.17451 12.8777 TIMING: 272000 CPU: 785.795, 0.00290117/step Wall: 785.795, 0.00290117/step, 3.81021 hours remaining, 203.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 272000 730.5177 2061.8852 1947.7890 123.2877 -205773.7427 17752.2903 0.0000 0.0000 34209.9711 -148948.0017 298.7642 -183157.9728 -148846.8373 299.7251 -42.4577 -12.8078 558885.9460 -9.0065 -8.8702 PRESSURE: 272200 13.0132 -122.647 -21.0457 -122.646 124.356 27.3258 -21.0455 27.3262 63.4211 GPRESSURE: 272200 48.1462 -98.3771 -71.8485 -24.5623 176.115 -5.56393 24.4643 99.1462 81.902 PRESSAVG: 272200 24.7147 15.8227 -56.0967 15.8227 -16.5124 60.9324 -56.0967 60.9324 -14.801 GPRESSAVG: 272200 24.2555 17.6146 -54.966 14.7344 -15.2644 60.0797 -57.0762 61.5644 -15.3317 TIMING: 272200 CPU: 786.375, 0.00289715/step Wall: 786.375, 0.00289715/step, 3.80477 hours remaining, 203.863281 MB of memory in use. ENERGY: 272200 772.0046 2110.9113 1954.2348 119.4313 -206306.3088 18031.7162 0.0000 0.0000 34333.1206 -148984.8900 299.8397 -183318.0106 -148877.3336 300.1846 66.9301 102.0545 559040.8127 -2.1996 -2.1135 LDB: ============= START OF LOAD BALANCING ============== 789.759 LDB: ============== END OF LOAD BALANCING =============== 789.759 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 789.761 LDB: ============= START OF LOAD BALANCING ============== 790.048 LDB: Largest compute 4822 load 0.025022 is 21.2% of average load 0.117872 LDB: Average compute 0.001719 is 1.5% of average load 0.117872 LDB: TIME 790.051 LOAD: AVG 0.117872 MAX 0.18003 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.664 MB LDB: TIME 790.051 LOAD: AVG 0.117872 MAX 0.18003 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: TIME 790.051 LOAD: AVG 0.117872 MAX 0.18003 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 790.053 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 790.057 PRESSURE: 272400 24.0288 -26.5973 -134.537 -26.5954 128.48 -64.4446 -134.538 -64.4451 188.886 GPRESSURE: 272400 108.548 29.3906 -101.61 23.8979 190.224 -16.543 -236.76 -49.3494 156.41 PRESSAVG: 272400 11.686 -39.2917 -22.522 -39.2917 3.34363 -1.36967 -22.522 -1.3697 23.1684 GPRESSAVG: 272400 11.8496 -40.6811 -20.6659 -38.0222 1.88974 -1.07693 -23.9981 -1.12781 24.5012 TIMING: 272400 CPU: 786.962, 0.00293595/step Wall: 786.962, 0.00293595/step, 3.85555 hours remaining, 206.980469 MB of memory in use. ENERGY: 272400 706.3074 2098.1186 1912.3474 115.5014 -205857.9351 17782.8209 0.0000 0.0000 34358.2984 -148884.5409 300.0596 -183242.8393 -148791.2937 299.9789 113.7983 151.7276 557957.6418 12.7327 12.7468 PRESSURE: 272600 -88.0845 13.2455 -37.7609 13.2463 4.54854 40.8203 -37.7612 40.8205 304.085 GPRESSURE: 272600 -42.7869 16.7272 -57.8383 67.717 48.2514 30.4212 -39.668 53.7518 313.141 PRESSAVG: 272600 -32.3291 31.0022 3.7456 31.0023 8.98039 -1.50554 3.74545 -1.50551 -15.5686 GPRESSAVG: 272600 -33.1128 29.3304 0.834714 31.4588 9.54538 -2.53896 4.09373 -2.1568 -15.4865 TIMING: 272600 CPU: 787.538, 0.00287934/step Wall: 787.538, 0.00287934/step, 3.78106 hours remaining, 206.980469 MB of memory in use. ENERGY: 272600 792.7560 2113.7178 1933.1605 107.1919 -206352.8554 18095.6678 0.0000 0.0000 34436.3358 -148874.0257 300.7411 -183310.3615 -148784.7895 299.9280 73.5163 106.2018 556652.2956 -12.9724 -13.0180 PRESSURE: 272800 61.2066 206.358 -3.87504 206.358 -349.003 -116.969 -3.87483 -116.967 1.43158 GPRESSURE: 272800 98.9119 212.966 -0.055864 99.9696 -289.675 -82.5581 -35.4434 -99.2372 2.97827 PRESSAVG: 272800 -53.3408 63.6219 -27.9306 63.6218 11.1676 7.4479 -27.9305 7.44803 49.9177 GPRESSAVG: 272800 -52.5744 64.2452 -26.7521 62.3061 11.5225 7.0357 -27.0929 7.97244 49.4458 TIMING: 272800 CPU: 788.112, 0.00287321/step Wall: 788.112, 0.00287321/step, 3.77285 hours remaining, 206.980469 MB of memory in use. ENERGY: 272800 773.9546 2094.5259 1923.9851 124.2718 -205687.4248 17506.3442 0.0000 0.0000 34428.3863 -148835.9569 300.6717 -183264.3432 -148735.9443 300.0603 -95.4548 -62.5949 556556.8632 2.5815 2.7980 PRESSURE: 273000 158.06 -138.269 -129.825 -138.268 283.723 198.605 -129.824 198.605 79.0137 GPRESSURE: 273000 218.658 -208.442 -85.9331 -135.293 273.987 156.73 -133.157 209.181 119.159 PRESSAVG: 273000 46.4975 -0.976482 5.43961 -0.976408 24.1599 66.6041 5.43963 66.6041 -56.4144 GPRESSAVG: 273000 47.7184 0.848502 3.98739 -0.619176 22.7145 66.9295 3.51145 67.307 -55.7771 TIMING: 273000 CPU: 788.684, 0.00285872/step Wall: 788.684, 0.00285872/step, 3.75366 hours remaining, 206.980469 MB of memory in use. ENERGY: 273000 727.6977 2143.8675 1925.6254 112.8905 -206057.6108 17805.7029 0.0000 0.0000 34364.0153 -148977.8116 300.1095 -183341.8269 -148883.1100 299.8889 173.5989 203.9347 555676.1747 4.7477 4.8852 PRESSURE: 273200 -78.904 54.2185 -142.914 54.2199 -67.0842 -66.1275 -142.914 -66.128 -317.875 GPRESSURE: 273200 -30.5188 0.237159 -160.144 34.3618 -10.2675 -161.696 -94.9206 -50.6571 -341.44 PRESSAVG: 273200 39.2996 29.5952 -42.1264 29.5951 34.3515 38.0331 -42.1265 38.0331 -69.3094 GPRESSAVG: 273200 38.5728 26.8082 -41.3087 30.6984 34.8867 38.6693 -41.5431 38.2258 -69.3938 TIMING: 273200 CPU: 789.255, 0.00285539/step Wall: 789.255, 0.00285539/step, 3.74913 hours remaining, 206.980469 MB of memory in use. ENERGY: 273200 732.7425 2098.2593 1941.3383 106.1275 -205351.0107 17295.0858 0.0000 0.0000 34321.4446 -148856.0127 299.7377 -183177.4573 -148759.7422 300.2713 -154.6212 -127.4087 557555.7482 1.4472 1.3552 PRESSURE: 273400 -283.777 -81.6755 111.728 -81.6776 -87.9521 -8.10865 111.728 -8.10834 -192.627 GPRESSURE: 273400 -212.62 -94.0882 128.316 -85.7443 -127.85 -18.801 151.028 -19.9173 -130.731 PRESSAVG: 273400 1.15788 -19.8207 -16.4605 -19.8207 31.9475 47.9753 -16.4606 47.9754 -22.4003 GPRESSAVG: 273400 2.18921 -17.8391 -16.3511 -19.9894 30.8118 48.0143 -14.8462 45.8193 -22.0554 TIMING: 273400 CPU: 789.83, 0.0028745/step Wall: 789.83, 0.0028745/step, 3.77406 hours remaining, 206.980469 MB of memory in use. ENERGY: 273400 784.3520 2157.0627 1929.0911 105.6896 -205968.6822 17474.2922 0.0000 0.0000 34415.7727 -149102.4220 300.5615 -183518.1947 -149003.5167 299.4140 -188.1186 -157.0671 556206.1111 3.5684 3.6485 PRESSURE: 273600 74.6863 -7.4517 5.12742 -7.45363 56.1144 -113.545 5.12665 -113.547 -163.737 GPRESSURE: 273600 47.9818 -10.1421 25.7955 0.66679 111.526 -189.269 -15.2253 -102.494 -102.348 PRESSAVG: 273600 -25.9455 -52.6722 8.7656 -52.6723 54.5476 -9.87678 8.76566 -9.87678 -22.3529 GPRESSAVG: 273600 -26.9941 -52.8826 9.13823 -53.4582 55.4085 -10.1548 8.17917 -9.12824 -21.8761 TIMING: 273600 CPU: 790.403, 0.00286215/step Wall: 790.403, 0.00286215/step, 3.75769 hours remaining, 206.980469 MB of memory in use. ENERGY: 273600 758.4819 2117.2924 1957.3881 112.2777 -206075.8272 17677.3559 0.0000 0.0000 34484.6944 -148968.3369 301.1634 -183453.0313 -148873.8977 299.6847 -10.9788 19.0534 557002.4043 2.0830 2.1794 PRESSURE: 273800 -61.4008 -146.124 68.5753 -146.123 -111.156 -50.9445 68.5742 -50.946 34.8294 GPRESSURE: 273800 -45.9184 -217.614 174.015 -75.9472 -61.714 -48.058 56.8041 13.7355 63.2001 PRESSAVG: 273800 5.47249 61.7629 26.9296 61.7629 7.16491 63.1109 26.9296 63.1109 -11.2129 GPRESSAVG: 273800 6.09498 62.2454 27.6842 61.1602 7.83988 63.2075 27.1002 62.9563 -12.4224 TIMING: 273800 CPU: 790.978, 0.00287504/step Wall: 790.978, 0.00287504/step, 3.77445 hours remaining, 206.980469 MB of memory in use. ENERGY: 273800 769.6882 2074.4340 1948.3258 120.2028 -206051.7854 17754.7865 0.0000 0.0000 34402.0805 -148982.2675 300.4419 -183384.3480 -148892.5323 301.1542 -45.9091 -14.8108 556905.5017 0.4748 0.5041 PRESSURE: 274000 96.556 -10.8739 -149.005 -10.8741 65.3638 -20.4813 -149.006 -20.4815 -175.662 GPRESSURE: 274000 137.999 -0.75504 -78.4606 -83.5252 71.5195 -33.668 -254.391 -44.7013 -115.726 PRESSAVG: 274000 35.5904 9.80865 -46.5278 9.80872 -39.3068 12.6711 -46.5278 12.6713 47.3656 GPRESSAVG: 274000 35.3383 7.55264 -46.0033 11.6435 -39.9722 11.3478 -47.0969 13.33 48.5653 TIMING: 274000 CPU: 791.551, 0.0028686/step Wall: 791.551, 0.0028686/step, 3.76584 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 274000 734.8221 2090.8294 1947.1677 110.0294 -205915.4041 17833.9707 0.0000 0.0000 34467.0351 -148731.5497 301.0092 -183198.5848 -148631.9484 300.8680 -4.5807 31.2640 558329.1937 14.5498 14.6438 PRESSURE: 274200 205.969 -137.552 226.978 -137.552 -115.031 46.4889 226.979 46.4886 -86.0171 GPRESSURE: 274200 290.929 -129.768 196.342 -134.463 -44.1058 63.0683 299.933 11.1998 -135.148 PRESSAVG: 274200 -16.1045 -32.7079 -13.6357 -32.7078 29.4646 -10.4103 -13.6358 -10.4103 25.5853 GPRESSAVG: 274200 -14.5396 -31.5978 -15.0419 -32.3773 29.634 -7.63586 -13.0368 -12.5471 24.1362 TIMING: 274200 CPU: 792.128, 0.00288458/step Wall: 792.128, 0.00288458/step, 3.78666 hours remaining, 207.113281 MB of memory in use. ENERGY: 274200 753.3480 2005.1261 1936.8945 101.3835 -205790.2574 17583.1393 0.0000 0.0000 34637.7633 -148772.6027 302.5002 -183410.3659 -148672.4529 301.1498 1.6404 37.2253 556908.5377 12.9818 13.0769 PRESSURE: 274400 255.126 -132.657 24.6446 -132.657 -25.8997 59.282 24.6454 59.2804 78.9514 GPRESSURE: 274400 257.551 -137.215 50.4802 -116.705 -6.34484 1.26524 -7.95246 91.9962 140.316 PRESSAVG: 274400 53.949 -50.2882 -27.7425 -50.2881 -106.305 -23.9818 -27.7425 -23.9818 19.3015 GPRESSAVG: 274400 52.7155 -49.9605 -24.964 -51.5473 -106.332 -23.5232 -29.5623 -23.6609 20.0203 TIMING: 274400 CPU: 792.708, 0.00289846/step Wall: 792.708, 0.00289846/step, 3.80471 hours remaining, 207.113281 MB of memory in use. ENERGY: 274400 769.4385 2081.8284 1969.9870 104.3021 -205925.7231 17729.0710 0.0000 0.0000 34539.4644 -148731.6316 301.6417 -183271.0960 -148633.4799 300.5362 102.7259 130.5072 558212.1821 -11.0183 -11.1987 PRESSURE: 274600 33.0506 -39.3322 -180.53 -39.3322 17.3846 258.495 -180.53 258.495 -119.866 GPRESSURE: 274600 93.6817 49.68 -136.31 -66.063 -8.3801 255.468 -162.641 214.657 -70.6025 PRESSAVG: 274600 -10.6184 -48.5919 -23.9176 -48.5919 -39.0887 45.14 -23.9177 45.14 22.4523 GPRESSAVG: 274600 -11.6512 -47.8903 -24.5268 -49.0018 -38.2362 45.415 -20.4868 45.7772 22.3985 TIMING: 274600 CPU: 793.285, 0.00288401/step Wall: 793.285, 0.00288401/step, 3.78558 hours remaining, 207.113281 MB of memory in use. ENERGY: 274600 741.6133 2094.6203 1962.9749 114.9809 -206126.7106 17788.1352 0.0000 0.0000 34508.7205 -148915.6655 301.3732 -183424.3860 -148823.7902 300.1482 -23.1435 4.8997 558281.3176 -9.0849 -9.1630 PRESSURE: 274800 134.382 -126.719 -42.2206 -126.718 22.5986 -112.317 -42.2206 -112.317 270.736 GPRESSURE: 274800 113.104 -190.391 -52.6147 -148.859 47.3065 -64.3227 6.82995 -130.933 365.61 PRESSAVG: 274800 -42.0908 -19.4312 -20.7863 -19.4311 -11.1302 -4.66986 -20.7863 -4.66981 60.4146 GPRESSAVG: 274800 -41.1216 -19.0414 -22.3801 -19.4036 -12.2566 -7.30621 -23.3914 -3.38374 61.0606 TIMING: 274800 CPU: 793.863, 0.00288966/step Wall: 793.863, 0.00288966/step, 3.79284 hours remaining, 207.113281 MB of memory in use. ENERGY: 274800 747.3474 2115.6656 1949.1849 113.0872 -206381.4253 18091.1182 0.0000 0.0000 34296.7586 -149068.2634 299.5221 -183365.0220 -148973.5078 300.2365 142.5722 175.3399 556685.4493 2.3979 2.5608 PRESSURE: 275000 76.1591 18.1045 -59.5575 18.104 132.211 -28.0499 -59.5567 -28.0499 272.383 GPRESSURE: 275000 95.049 50.1915 -16.6972 -51.7149 185.785 18.1915 -11.8081 -82.8705 282.928 PRESSAVG: 275000 -38.5694 -5.1723 11.1809 -5.1723 -17.6823 56.0561 11.1809 56.056 27.6485 GPRESSAVG: 275000 -38.169 -5.6396 10.5495 -4.35127 -17.4652 58.7809 13.5107 54.0095 26.5364 TIMING: 275000 CPU: 794.443, 0.00289979/step Wall: 794.443, 0.00289979/step, 3.80597 hours remaining, 207.113281 MB of memory in use. ENERGY: 275000 736.5512 2074.1647 1958.2420 116.2933 -206369.9389 18054.2031 0.0000 0.0000 34194.7889 -149235.6958 298.6316 -183430.4847 -149136.1029 299.8492 160.2510 187.9205 557940.3828 -9.5344 -9.6993 PRESSURE: 275200 43.8542 -39.403 95.3251 -39.403 -112.202 -26.8554 95.3244 -26.8549 -212.895 GPRESSURE: 275200 52.5236 -73.8066 39.6962 -66.2863 -151.443 -107.249 -8.15755 63.4385 -86.2915 PRESSAVG: 275200 -27.6587 -20.5223 -12.865 -20.5223 18.5746 -17.1421 -12.8651 -17.1422 6.50236 GPRESSAVG: 275200 -27.0014 -20.7041 -13.4117 -20.5585 17.4237 -20.2359 -14.8069 -14.6432 6.92906 TIMING: 275200 CPU: 795.026, 0.00291703/step Wall: 795.026, 0.00291703/step, 3.82844 hours remaining, 207.113281 MB of memory in use. ENERGY: 275200 727.4122 2126.8816 1956.7490 109.4534 -206429.6915 17785.0821 0.0000 0.0000 34472.8288 -149251.2846 301.0598 -183724.1133 -149151.1263 299.3884 -93.7477 -61.7370 559133.9817 -0.8606 -0.8829 PRESSURE: 275400 -184.423 -20.1878 68.393 -20.1872 -161.866 103.43 68.3928 103.43 -84.4581 GPRESSURE: 275400 -52.2521 -22.8383 133.485 -68.5985 -175.143 85.8698 31.7703 139.003 -96.9056 PRESSAVG: 275400 4.69297 13.6257 -11.3009 13.6256 10.0334 44.9137 -11.301 44.9137 -12.602 GPRESSAVG: 275400 5.1549 14.2141 -12.4007 10.9931 10.1363 46.456 -9.20689 42.9249 -12.9628 TIMING: 275400 CPU: 795.6, 0.00287183/step Wall: 795.6, 0.00287183/step, 3.76896 hours remaining, 207.113281 MB of memory in use. ENERGY: 275400 744.8785 2082.9107 1975.6129 118.6363 -206072.6761 17683.2551 0.0000 0.0000 34141.2549 -149326.1277 298.1641 -183467.3826 -149231.2492 299.2125 -143.5823 -108.1003 558335.2842 0.7081 0.7761 PRESSURE: 275600 42.919 -59.7277 -54.7499 -59.7262 -36.2201 136.769 -54.7496 136.771 16.9171 GPRESSURE: 275600 1.4111 -120.782 8.91642 -54.6523 81.9091 185.167 -95.0913 142.941 40.8228 PRESSAVG: 275600 -16.4129 -65.5462 33.9089 -65.5462 5.60905 -0.387215 33.9088 -0.387222 13.8015 GPRESSAVG: 275600 -16.9945 -65.6311 35.5215 -64.108 5.86985 0.679249 32.9459 -1.634 13.3852 TIMING: 275600 CPU: 796.18, 0.00289751/step Wall: 796.18, 0.00289751/step, 3.8025 hours remaining, 207.316406 MB of memory in use. ENERGY: 275600 755.8553 2187.0646 1929.9586 115.1688 -206059.5997 17903.9458 0.0000 0.0000 34018.9413 -149148.6654 297.0959 -183167.6067 -149057.7779 298.6396 7.8720 41.3810 557324.3776 0.9992 0.7535 PRESSURE: 275800 -196.729 34.8731 215.662 34.8737 -111.852 -114.539 215.66 -114.539 93.5853 GPRESSURE: 275800 -192.192 44.1757 126.119 -43.1762 -79.2181 -236.662 233.987 36.8228 128.943 PRESSAVG: 275800 31.9874 -16.0316 39.2514 -16.0316 -10.3421 -13.3728 39.2514 -13.3728 -9.1882 GPRESSAVG: 275800 31.785 -17.1532 37.8836 -14.092 -10.5521 -16.3468 39.376 -10.7193 -8.41635 TIMING: 275800 CPU: 796.757, 0.00288693/step Wall: 796.757, 0.00288693/step, 3.78845 hours remaining, 207.316406 MB of memory in use. ENERGY: 275800 757.8857 2167.3364 1943.9482 104.9494 -206268.9762 17706.3085 0.0000 0.0000 34443.8576 -149144.6905 300.8068 -183588.5480 -149056.0079 299.8019 -71.6652 -47.4891 557565.6333 4.1524 4.2722 PRESSURE: 276000 -150.318 168.532 29.4527 168.532 -248.324 136.728 29.4532 136.728 29.5288 GPRESSURE: 276000 -133.17 188.369 -68.4176 117.172 -232.845 175.272 54.109 99.7331 89.1376 PRESSAVG: 276000 -30.7996 34.0241 -14.0126 34.0241 -40.0408 -19.2255 -14.0126 -19.2255 36.9966 GPRESSAVG: 276000 -31.4637 36.2724 -13.9914 33.2635 -38.9735 -17.5476 -12.5683 -20.5993 36.4633 TIMING: 276000 CPU: 797.335, 0.00289068/step Wall: 797.335, 0.00289068/step, 3.79321 hours remaining, 207.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 276000 757.2580 2165.7714 1945.5754 108.0840 -206108.0364 17687.7920 0.0000 0.0000 34287.4123 -149156.1433 299.4405 -183443.5556 -149057.7576 300.4664 -123.0378 -92.2925 558120.5083 -11.2813 -11.3246 PRESSURE: 276200 156.363 194.786 84.2942 194.785 -71.9469 15.5964 84.2932 15.5962 -260.408 GPRESSURE: 276200 167.854 143.857 48.0962 182.587 -59.6897 60.6812 115.66 -92.6808 -197.109 PRESSAVG: 276200 -30.8043 10.818 28.7617 10.8179 13.119 29.0154 28.7617 29.0155 21.8912 GPRESSAVG: 276200 -29.5373 10.5157 31.0409 11.1295 12.5295 27.0988 27.5814 28.5193 21.2144 TIMING: 276200 CPU: 797.912, 0.00288456/step Wall: 797.912, 0.00288456/step, 3.78502 hours remaining, 207.316406 MB of memory in use. ENERGY: 276200 767.7173 2072.3594 1931.7007 111.4944 -206469.4208 17970.4031 0.0000 0.0000 34446.5263 -149169.2196 300.8301 -183615.7459 -149079.9279 300.0994 -58.6639 -29.6483 557474.8990 1.4020 1.4022 LDB: ============= START OF LOAD BALANCING ============== 801.295 LDB: ============== END OF LOAD BALANCING =============== 801.295 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 801.297 LDB: ============= START OF LOAD BALANCING ============== 801.584 LDB: Largest compute 4822 load 0.025689 is 21.8% of average load 0.117858 LDB: Average compute 0.001721 is 1.5% of average load 0.117858 LDB: TIME 801.587 LOAD: AVG 0.117858 MAX 0.1816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 801.587 LOAD: AVG 0.117858 MAX 0.1816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.066 MB LDB: TIME 801.587 LOAD: AVG 0.117858 MAX 0.1816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.066 MB LDB: ============== END OF LOAD BALANCING =============== 801.589 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 801.593 PRESSURE: 276400 -55.6025 -126.101 10.9341 -126.1 245.918 -129.269 10.9355 -129.27 17.5336 GPRESSURE: 276400 12.4212 -68.5072 20.738 -174.079 261.627 -178.484 84.4054 -57.3144 37.2619 PRESSAVG: 276400 -82.8953 -91.1322 16.5971 -91.1323 -1.29327 -12.9633 16.5971 -12.9634 53.0124 GPRESSAVG: 276400 -83.0267 -91.3945 15.5904 -93.188 -2.45675 -12.0551 17.0402 -12.9407 54.3444 TIMING: 276400 CPU: 798.497, 0.00292464/step Wall: 798.497, 0.00292464/step, 3.83745 hours remaining, 208.113281 MB of memory in use. ENERGY: 276400 765.9582 2160.0274 1913.8145 110.0829 -206512.6870 17837.2749 0.0000 0.0000 34331.9138 -149393.6152 299.8291 -183725.5290 -149293.7198 299.3527 69.2830 103.7700 557078.9639 -10.3921 -10.3797 PRESSURE: 276600 50.1389 -182.643 120.406 -182.642 -376.194 -19.1831 120.406 -19.1844 -109.353 GPRESSURE: 276600 53.5453 -94.848 136.004 -179.903 -332.623 83.1329 119.638 -43.083 -64.1804 PRESSAVG: 276600 -31.5811 -87.1791 9.42819 -87.179 5.36033 -5.68379 9.42825 -5.6839 51.8151 GPRESSAVG: 276600 -31.7201 -88.0187 9.52063 -85.719 6.2031 -5.87298 6.76217 -6.83172 51.3437 TIMING: 276600 CPU: 799.072, 0.00287342/step Wall: 799.072, 0.00287342/step, 3.77009 hours remaining, 208.183594 MB of memory in use. ENERGY: 276600 774.4973 2173.3544 1949.6395 110.8523 -206030.8955 17671.0516 0.0000 0.0000 34001.9777 -149349.5227 296.9477 -183351.5004 -149258.7574 298.9179 -145.1359 -114.4195 557736.3665 8.5314 8.6089 PRESSURE: 276800 -350.36 36.0872 125.766 36.0878 -277.025 -26.9987 125.766 -26.998 -153.535 GPRESSURE: 276800 -337.725 40.518 63.1286 65.5933 -250.192 -45.6987 101.373 -17.4929 -91.4149 PRESSAVG: 276800 24.2158 -37.6181 -61.8238 -37.6181 -66.6979 -44.5832 -61.8238 -44.5832 -27.5243 GPRESSAVG: 276800 22.7829 -36.7885 -63.6087 -38.3589 -64.6904 -43.9881 -58.6128 -43.6287 -28.4569 TIMING: 276800 CPU: 799.651, 0.00289568/step Wall: 799.651, 0.00289568/step, 3.79914 hours remaining, 208.183594 MB of memory in use. ENERGY: 276800 760.5819 2118.4815 1936.6909 115.5796 -205806.6332 17474.1171 0.0000 0.0000 34124.3155 -149276.8669 298.0161 -183401.1823 -149184.1304 298.9491 -260.3070 -226.4440 560527.8238 -23.3354 -23.4548 PRESSURE: 277000 98.1434 -74.1152 93.7957 -74.1142 -127.818 8.40208 93.795 8.4004 101.199 GPRESSURE: 277000 145.07 1.04017 98.6752 -134.982 -148.771 -29.721 72.6697 41.7018 177.47 PRESSAVG: 277000 -30.8499 14.6251 34.3736 14.6251 -37.6159 -73.3145 34.3736 -73.3145 26.4402 GPRESSAVG: 277000 -28.6841 15.3989 35.9313 14.0086 -40.3055 -75.5215 32.2441 -72.4878 27.1972 TIMING: 277000 CPU: 800.232, 0.00290416/step Wall: 800.232, 0.00290416/step, 3.8101 hours remaining, 208.183594 MB of memory in use. ENERGY: 277000 734.4363 2161.9711 1927.1233 113.3902 -206223.4547 17851.4962 0.0000 0.0000 34095.2585 -149339.7790 297.7624 -183435.0375 -149246.9474 298.8262 23.8414 57.9232 558216.1617 -14.0085 -13.9308 PRESSURE: 277200 -10.1076 -63.9776 -149.074 -63.9766 -44.897 143.252 -149.074 143.253 -144.155 GPRESSURE: 277200 25.0704 -17.5172 -136.144 -113.716 -45.8779 100.373 -94.9752 209.482 -70.595 PRESSAVG: 277200 -25.7541 36.2223 -30.4739 36.2224 -26.5514 -9.86581 -30.4739 -9.86582 53.0409 GPRESSAVG: 277200 -27.6941 34.8191 -30.566 36.7391 -25.0838 -8.49652 -28.6629 -10.0593 53.4279 TIMING: 277200 CPU: 800.812, 0.00289996/step Wall: 800.812, 0.00289996/step, 3.80442 hours remaining, 208.183594 MB of memory in use. ENERGY: 277200 754.6690 2128.7171 1917.2423 100.7766 -206430.4357 17843.6567 0.0000 0.0000 34260.2086 -149425.1654 299.2029 -183685.3740 -149323.0101 298.7483 -66.3864 -30.4675 557977.6985 0.2451 0.2166 PRESSURE: 277400 -283.961 -130.66 -15.9957 -130.66 -156.116 -204.039 -15.9947 -204.039 83.0425 GPRESSURE: 277400 -196.572 -141.639 25.5008 -91.0915 -182.461 -206.12 -59.144 -159.898 109.734 PRESSAVG: 277400 -33.0082 22.5062 11.5783 22.5062 -27.9383 12.1768 11.5782 12.1768 38.282 GPRESSAVG: 277400 -32.3601 21.8278 11.8377 23.2118 -28.5358 9.82511 9.98089 12.5679 38.2899 TIMING: 277400 CPU: 801.391, 0.00289693/step Wall: 801.391, 0.00289693/step, 3.80029 hours remaining, 208.183594 MB of memory in use. ENERGY: 277400 777.1245 2075.7957 1928.2041 115.0952 -205912.6227 17583.5900 0.0000 0.0000 34116.1631 -149316.6500 297.9449 -183432.8131 -149221.2696 298.9442 -119.0117 -89.7664 559541.7736 -7.5548 -7.5353 PRESSURE: 277600 -199.755 227.062 -32.9343 227.063 48.2102 202.299 -32.9359 202.296 77.2842 GPRESSURE: 277600 -185.496 183.501 -81.4257 288.489 127.153 205.258 -25.9956 107.095 83.665 PRESSAVG: 277600 39.5595 25.4354 -23.637 25.4353 -6.06478 -3.98297 -23.637 -3.98305 -0.773425 GPRESSAVG: 277600 39.7345 26.1905 -23.0772 27.098 -5.10855 -1.019 -24.1066 -6.23264 -1.89761 TIMING: 277600 CPU: 801.968, 0.00288347/step Wall: 801.968, 0.00288347/step, 3.78247 hours remaining, 208.183594 MB of memory in use. ENERGY: 277600 737.1815 2045.3429 1956.0669 117.0784 -206223.0760 17804.0102 0.0000 0.0000 34269.9421 -149293.4540 299.2879 -183563.3961 -149198.3643 299.2395 -24.7536 8.4406 558566.6117 10.9071 10.9094 PRESSURE: 277800 95.6966 -8.88032 150.727 -8.88011 75.0257 35.4128 150.728 35.4129 127.263 GPRESSURE: 277800 119.145 18.9141 149.092 -125.248 100.612 48.2579 143.802 52.52 164.963 PRESSAVG: 277800 -40.4954 16.8321 2.28929 16.832 -55.0658 -11.4278 2.28934 -11.4277 41.0411 GPRESSAVG: 277800 -41.2809 16.2961 -0.210043 16.1657 -55.4547 -11.7943 4.21403 -10.7581 42.3268 TIMING: 277800 CPU: 802.546, 0.00288881/step Wall: 802.546, 0.00288881/step, 3.78931 hours remaining, 208.183594 MB of memory in use. ENERGY: 277800 758.5806 2078.6513 1964.6090 115.0394 -206459.6645 18162.7347 0.0000 0.0000 34203.0241 -149177.0255 298.7035 -183380.0496 -149081.0829 298.9715 99.3284 128.2402 558506.0284 -18.1734 -18.1363 PRESSURE: 278000 -99.8129 63.8431 16.9571 63.8436 -29.2977 5.31919 16.9574 5.32187 -2.44609 GPRESSURE: 278000 -119.925 8.98851 23.8419 75.9581 46.0927 83.7566 17.7596 -96.2632 32.1377 PRESSAVG: 278000 3.28959 53.8885 21.0991 53.8886 10.9818 -44.1742 21.099 -44.1743 10.9628 GPRESSAVG: 278000 2.60182 54.0854 21.4238 55.2766 12.0257 -42.622 19.7287 -45.8083 10.486 TIMING: 278000 CPU: 803.12, 0.0028696/step Wall: 803.12, 0.0028696/step, 3.76396 hours remaining, 208.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 278000 772.5805 2126.9878 1998.4197 121.6971 -206192.7627 17821.3174 0.0000 0.0000 34179.6234 -149172.1368 298.4992 -183351.7603 -149075.9125 299.5749 -43.8522 -13.8983 557059.2201 8.4114 8.3712 PRESSURE: 278200 -40.6604 21.1036 -129.009 21.1034 148.025 -176.877 -129.01 -176.878 247.968 GPRESSURE: 278200 -38.5489 63.988 -189.35 41.8384 237.847 -238.657 -108.175 -41.0571 240.495 PRESSAVG: 278200 -14.4616 29.4898 -22.0209 29.4898 30.4492 -48.8267 -22.0208 -48.8267 39.2757 GPRESSAVG: 278200 -13.4539 30.9382 -21.7439 28.9688 30.4075 -50.3959 -21.3069 -48.0566 38.4384 TIMING: 278200 CPU: 803.691, 0.00285653/step Wall: 803.691, 0.00285653/step, 3.74665 hours remaining, 208.183594 MB of memory in use. ENERGY: 278200 720.3818 2118.5196 1931.4332 117.5161 -206369.7871 18079.4326 0.0000 0.0000 34247.0665 -149155.4372 299.0881 -183402.5037 -149053.5121 299.4585 118.4444 146.5977 557243.2581 18.4211 18.4640 PRESSURE: 278400 158.075 83.1402 -59.7185 83.1401 -18.5098 116.802 -59.7187 116.802 107.916 GPRESSURE: 278400 189.009 118.434 -169.614 30.7013 -1.12996 56.2041 -95.8598 141.726 149.983 PRESSAVG: 278400 14.9645 45.8319 18.7522 45.8321 -6.58119 -30.7242 18.7522 -30.7243 0.690181 GPRESSAVG: 278400 15.3595 43.677 19.967 45.8893 -8.27668 -31.3743 17.4961 -29.9355 1.95262 TIMING: 278400 CPU: 804.263, 0.00285808/step Wall: 804.263, 0.00285808/step, 3.74853 hours remaining, 208.183594 MB of memory in use. ENERGY: 278400 761.7677 2100.8856 1975.6482 105.8997 -206201.7345 17841.9599 0.0000 0.0000 34242.8045 -149172.7689 299.0509 -183415.5733 -149072.4071 299.1699 82.4935 112.6206 557729.7084 3.0245 3.0118 PRESSURE: 278600 -96.1831 -13.1617 -85.0767 -13.1614 -43.6291 -50.0092 -85.0774 -50.0096 -330.416 GPRESSURE: 278600 -84.5035 42.3671 -163.227 -46.9423 7.43965 -64.6881 -53.0032 -53.0765 -304.688 PRESSAVG: 278600 -4.55616 27.7279 -19.5621 27.7279 52.8411 -3.2448 -19.562 -3.24471 0.127885 GPRESSAVG: 278600 -4.00566 28.4709 -21.0145 26.5247 54.1229 -1.23974 -18.6324 -5.3951 -1.37188 TIMING: 278600 CPU: 804.834, 0.0028567/step Wall: 804.834, 0.0028567/step, 3.74656 hours remaining, 208.183594 MB of memory in use. ENERGY: 278600 762.4547 2076.9763 1946.3145 110.6619 -206233.5586 17667.4902 0.0000 0.0000 34526.5695 -149143.0915 301.5291 -183669.6610 -149046.9717 300.3755 -156.7429 -127.2507 557606.8031 16.1376 16.2485 PRESSURE: 278800 333.394 -16.0237 -118.186 -16.0249 377.38 -99.494 -118.186 -99.4951 247.745 GPRESSURE: 278800 394.116 -1.4029 -124.697 -22.5753 419.802 -153.216 -83.4844 -13.456 234.832 PRESSAVG: 278800 -11.0789 32.5452 23.0175 32.5451 55.6733 31.1652 23.0175 31.1652 -37.4242 GPRESSAVG: 278800 -10.9957 31.4616 22.09 34.9744 54.9484 29.5125 22.7416 35.0812 -36.9454 TIMING: 278800 CPU: 805.41, 0.00287841/step Wall: 805.41, 0.00287841/step, 3.77488 hours remaining, 208.183594 MB of memory in use. ENERGY: 278800 738.9272 2039.0027 1950.0764 107.9782 -206643.8032 18394.8189 0.0000 0.0000 34261.9137 -149151.0860 299.2178 -183412.9997 -149066.0753 299.7862 319.5063 349.5833 556714.9257 2.3901 2.3358 PRESSURE: 279000 -129.584 49.5746 153.449 49.5764 -136.248 84.3006 153.447 84.3019 283.957 GPRESSURE: 279000 -45.8058 23.7297 93.6854 -9.77418 -107.499 23.3138 118.119 48.6654 263.818 PRESSAVG: 279000 -49.6517 19.7051 22.73 19.705 10.6641 -27.162 22.7299 -27.1619 56.0503 GPRESSAVG: 279000 -50.5397 21.205 24.0545 17.1286 11.4202 -26.8944 22.8937 -28.7859 55.8708 TIMING: 279000 CPU: 805.992, 0.00291302/step Wall: 805.992, 0.00291302/step, 3.8201 hours remaining, 208.183594 MB of memory in use. ENERGY: 279000 748.5788 2077.7467 1955.4145 133.2151 -206201.7571 17890.6194 0.0000 0.0000 34171.1404 -149225.0423 298.4251 -183396.1826 -149137.3321 298.9894 6.0417 36.8380 556599.2164 5.6875 5.5838 PRESSURE: 279200 213.689 15.6315 67.7443 15.6326 54.0361 19.9545 67.7454 19.955 -14.8396 GPRESSURE: 279200 271.175 -62.2445 70.9979 -14.6379 86.4803 11.5681 51.7857 -19.529 -14.9968 PRESSAVG: 279200 -36.9743 5.5764 43.9275 5.5764 -11.7412 -14.0062 43.9275 -14.0063 -23.6423 GPRESSAVG: 279200 -36.2694 4.56867 44.2519 5.74961 -12.7641 -13.3058 44.3987 -14.4283 -23.4075 TIMING: 279200 CPU: 806.57, 0.00289018/step Wall: 806.57, 0.00289018/step, 3.78999 hours remaining, 208.183594 MB of memory in use. ENERGY: 279200 785.4681 2087.6632 1930.1741 118.0661 -206326.4830 17999.1555 0.0000 0.0000 34340.6076 -149065.3485 299.9051 -183405.9560 -148970.3595 298.5740 84.2951 114.2196 556909.4991 -24.1193 -24.1470 PRESSURE: 279400 40.8297 -29.7599 57.5453 -29.7604 -73.9868 -50.4811 57.5467 -50.4815 146.591 GPRESSURE: 279400 55.8642 -33.7721 62.1765 -13.6702 -19.0332 -127.115 73.9641 -23.5566 177.64 PRESSAVG: 279400 44.19 -52.0532 50.1612 -52.0532 -43.5171 -18.2593 50.1611 -18.2594 -20.7853 GPRESSAVG: 279400 43.9479 -49.874 48.9455 -53.0796 -43.2994 -20.4882 51.9206 -17.0081 -20.426 TIMING: 279400 CPU: 807.15, 0.00289964/step Wall: 807.15, 0.00289964/step, 3.80223 hours remaining, 208.183594 MB of memory in use. ENERGY: 279400 772.9596 2056.2274 1966.3349 120.1410 -206321.9951 17875.0923 0.0000 0.0000 34484.0666 -149047.1733 301.1579 -183531.2399 -148946.4292 299.9204 37.8113 71.4903 557426.3964 -6.7041 -6.5925 PRESSURE: 279600 -82.1553 -15.201 -122.258 -15.2035 -150.17 -23.4295 -122.258 -23.4317 -388.836 GPRESSURE: 279600 -83.466 -83.7007 -98.2256 85.1868 -54.9979 -54.3566 -115.29 64.2285 -385.305 PRESSAVG: 279600 42.1396 1.66666 8.6133 1.66666 -89.5618 5.56612 8.61323 5.5661 61.2296 GPRESSAVG: 279600 41.1247 0.0133841 11.2585 2.541 -89.7328 7.23188 5.44549 6.27535 62.3321 TIMING: 279600 CPU: 807.726, 0.00288029/step Wall: 807.726, 0.00288029/step, 3.7767 hours remaining, 208.183594 MB of memory in use. ENERGY: 279600 808.7653 2107.3152 1961.8411 121.6998 -206017.1476 17507.6242 0.0000 0.0000 34374.5227 -149135.3793 300.2013 -183509.9021 -149046.9103 300.2509 -207.0538 -174.5897 557394.5877 4.6025 4.5747 PRESSURE: 279800 -23.3812 -115.671 43.6799 -115.671 55.0533 98.0381 43.6795 98.0392 -46.0071 GPRESSURE: 279800 34.5234 -136.11 75.3625 -89.8377 71.0487 108.38 -5.23443 136.354 -17.5468 PRESSAVG: 279800 -47.4942 16.1407 -14.7608 16.1406 38.7936 35.6711 -14.7608 35.6711 -37.9343 GPRESSAVG: 279800 -45.8786 16.7778 -16.6118 15.9828 38.7426 36.3679 -13.5668 33.6021 -39.1669 TIMING: 279800 CPU: 808.304, 0.00289072/step Wall: 808.304, 0.00289072/step, 3.79021 hours remaining, 208.183594 MB of memory in use. ENERGY: 279800 747.4480 2152.1788 1927.4021 107.9580 -206504.3501 17984.3635 0.0000 0.0000 34363.5609 -149221.4387 300.1055 -183584.9997 -149122.8699 300.0926 -4.7783 29.3418 557389.6556 -15.5450 -15.4343 PRESSURE: 280000 170.44 -154.341 -69.7225 -154.339 67.0088 -215.49 -69.723 -215.49 -361.714 GPRESSURE: 280000 152.716 -229.66 -85.8465 -168.476 111.624 -178.288 -44.8884 -329.009 -296.383 PRESSAVG: 280000 -7.82724 10.476 -45.6474 10.4762 32.2078 -22.8543 -45.6474 -22.8544 -3.11518 GPRESSAVG: 280000 -8.65355 8.35181 -43.7185 12.1615 32.0758 -22.9258 -48.0394 -22.4752 -2.80563 TIMING: 280000 CPU: 808.881, 0.00288317/step Wall: 808.881, 0.00288317/step, 3.78016 hours remaining, 208.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 280000 759.6222 2127.8664 1937.4855 112.9970 -206163.7027 17731.0645 0.0000 0.0000 34171.0797 -149323.5873 298.4245 -183494.6670 -149237.1493 299.1415 -41.4217 -10.6810 556881.1764 7.0885 6.8722 PRESSURE: 280200 -7.67286 -92.311 30.2302 -92.3105 23.6624 -16.1109 30.2303 -16.1083 -83.3887 GPRESSURE: 280200 75.8421 -103.517 41.4457 -98.5656 13.2398 -3.58986 -12.511 19.8213 -49.1449 PRESSAVG: 280200 33.4883 -26.4599 -7.93136 -26.4599 -7.86013 5.27365 -7.93142 5.27353 -47.4088 GPRESSAVG: 280200 33.3083 -24.5576 -7.46897 -27.5219 -7.24848 4.08427 -5.19262 7.25382 -47.8996 TIMING: 280200 CPU: 809.455, 0.00286928/step Wall: 809.455, 0.00286928/step, 3.76179 hours remaining, 208.183594 MB of memory in use. ENERGY: 280200 753.3555 2073.4627 1955.2689 121.7561 -206730.3141 17929.2916 0.0000 0.0000 34394.0628 -149503.1166 300.3719 -183897.1794 -149410.1864 298.7569 -22.4664 13.3123 557155.5405 -7.2602 -7.2800 LDB: ============= START OF LOAD BALANCING ============== 812.839 LDB: ============== END OF LOAD BALANCING =============== 812.839 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 812.841 LDB: ============= START OF LOAD BALANCING ============== 813.13 LDB: Largest compute 4822 load 0.025071 is 21.3% of average load 0.117836 LDB: Average compute 0.001718 is 1.5% of average load 0.117836 LDB: TIME 813.132 LOAD: AVG 0.117836 MAX 0.179761 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.539 MB LDB: TIME 813.133 LOAD: AVG 0.117836 MAX 0.179761 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.578 MB LDB: TIME 813.133 LOAD: AVG 0.117836 MAX 0.179761 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 813.135 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 813.139 PRESSURE: 280400 155.619 51.7317 -95.0172 51.7326 -169.159 -85.2454 -95.0162 -85.2439 -175.18 GPRESSURE: 280400 140.512 81.9724 -32.1968 20.3689 -63.1454 -118.716 -83.5478 -65.5998 -167.898 PRESSAVG: 280400 9.40782 19.66 24.9706 19.6601 94.7737 54.2111 24.9706 54.2112 -57.8715 GPRESSAVG: 280400 8.47671 19.3334 24.0128 20.001 94.0749 52.6903 23.8152 53.2161 -55.8661 TIMING: 280400 CPU: 810.043, 0.00294249/step Wall: 810.043, 0.00294249/step, 3.85761 hours remaining, 206.250000 MB of memory in use. ENERGY: 280400 756.7857 2121.3677 1962.9296 119.0525 -206305.0987 17737.6896 0.0000 0.0000 34133.4091 -149473.8645 298.0956 -183607.2736 -149378.1680 299.1210 -62.9068 -30.1773 555536.0085 15.4367 15.5618 PRESSURE: 280600 142.219 32.4298 72.2945 32.4294 111.427 -56.8495 72.2957 -56.8492 50.9034 GPRESSURE: 280600 143.885 58.0106 11.5523 60.5343 167.359 -28.9123 130.694 -130.558 100.706 PRESSAVG: 280600 25.5433 2.70273 8.94303 2.70275 11.0513 4.80109 8.94298 4.80113 -71.5818 GPRESSAVG: 280600 27.6701 3.5482 8.43539 2.22373 10.6992 6.34383 8.53345 5.82202 -73.4528 TIMING: 280600 CPU: 810.617, 0.00286906/step Wall: 810.617, 0.00286906/step, 3.76118 hours remaining, 206.507812 MB of memory in use. ENERGY: 280600 748.9352 2142.5188 1946.6009 111.7934 -206694.6388 18012.4028 0.0000 0.0000 34276.9021 -149455.4857 299.3487 -183732.3878 -149363.2784 298.5542 101.5166 137.3167 555780.2658 -11.6624 -11.6945 PRESSURE: 280800 -232.522 -62.63 80.5816 -62.6315 -300.443 89.7418 80.5808 89.7418 -215.22 GPRESSURE: 280800 -204.515 -14.6155 153.186 -23.4916 -260.765 132.425 93.0516 101.646 -173.541 PRESSAVG: 280800 42.723 23.8604 7.68601 23.8604 43.6422 29.6718 7.68606 29.6718 -7.04932 GPRESSAVG: 280800 42.605 21.1597 8.39781 22.8724 43.3547 30.0666 7.33455 26.9872 -6.43916 TIMING: 280800 CPU: 811.192, 0.00287443/step Wall: 811.192, 0.00287443/step, 3.76806 hours remaining, 206.507812 MB of memory in use. ENERGY: 280800 735.8025 2065.6442 1947.0165 123.9993 -206193.3858 17528.3303 0.0000 0.0000 34354.7660 -149437.8270 300.0287 -183792.5930 -149339.2360 298.4277 -249.3952 -212.9405 556510.1669 26.4386 26.5068 PRESSURE: 281000 -309.99 9.33261 51.2434 9.33371 53.8726 -84.8065 51.2428 -84.8067 79.1492 GPRESSURE: 281000 -288.985 -55.7248 43.2657 127.612 89.1941 -17.3427 80.6803 -170.958 106.343 PRESSAVG: 281000 70.9547 -22.7598 -39.2568 -22.7598 -23.0761 -2.91695 -39.2567 -2.91691 -43.9131 GPRESSAVG: 281000 71.5616 -21.917 -39.649 -22.4657 -22.3683 -4.15201 -39.5749 -2.90377 -44.7584 TIMING: 281000 CPU: 811.77, 0.00288995/step Wall: 811.77, 0.00288995/step, 3.78824 hours remaining, 206.507812 MB of memory in use. ENERGY: 281000 778.1682 2090.3156 1929.5553 117.9874 -206283.7310 17689.2666 0.0000 0.0000 34292.7698 -149385.6680 299.4873 -183678.4378 -149286.3181 299.4817 -58.9895 -31.1495 555815.6443 1.3219 1.4783 PRESSURE: 281200 137.549 9.73208 -67.5006 9.73041 -119.325 43.3084 -67.5011 43.3085 -130.236 GPRESSURE: 281200 154.38 0.617768 -227.345 6.87839 -75.0603 9.17162 -25.1518 72.9943 -81.0601 PRESSAVG: 281200 -30.1703 47.4928 20.5448 47.4928 23.9261 -17.2282 20.5447 -17.2282 0.925231 GPRESSAVG: 281200 -30.5102 47.6718 19.0158 46.6073 24.2298 -15.4734 23.8293 -18.2552 1.2205 TIMING: 281200 CPU: 812.349, 0.00289601/step Wall: 812.349, 0.00289601/step, 3.79603 hours remaining, 206.507812 MB of memory in use. ENERGY: 281200 737.9016 2088.2014 1956.2499 114.7249 -205995.3255 17657.8800 0.0000 0.0000 34126.0480 -149314.3197 298.0313 -183440.3677 -149209.8996 298.7840 -37.3373 -0.5801 556362.5925 -1.7730 -1.6866 PRESSURE: 281400 34.6499 -27.0023 185.192 -27.0026 -1.79036 1.87952 185.192 1.8793 107.612 GPRESSURE: 281400 70.7149 -41.9873 88.3621 31.7139 58.086 -8.87213 216.317 8.30849 108.927 PRESSAVG: 281400 -35.3016 1.95257 21.9523 1.95253 -17.022 10.5284 21.9523 10.5282 20.0075 GPRESSAVG: 281400 -34.8279 3.40872 23.3629 1.5777 -17.7859 11.0895 18.9098 11.8158 20.435 TIMING: 281400 CPU: 812.924, 0.00287506/step Wall: 812.924, 0.00287506/step, 3.7684 hours remaining, 206.507812 MB of memory in use. ENERGY: 281400 759.1375 2124.0471 1939.9921 117.9458 -206558.8649 18016.0193 0.0000 0.0000 34296.4226 -149305.3004 299.5192 -183601.7230 -149202.3994 299.1548 46.8240 79.2427 555887.2840 -10.7720 -10.7262 PRESSURE: 281600 54.132 85.9015 -20.3983 85.9006 -267.698 -12.5155 -20.3976 -12.5155 98.2894 GPRESSURE: 281600 134.336 113.374 -134.34 84.2611 -235.568 38.8954 47.8809 -38.1731 83.1976 PRESSAVG: 281600 7.97771 17.5574 -17.9983 17.5575 21.104 22.7128 -17.9982 22.7127 17.0248 GPRESSAVG: 281600 6.73046 17.8109 -20.0975 17.5604 22.3216 21.3208 -15.847 23.023 16.8552 TIMING: 281600 CPU: 813.5, 0.00287823/step Wall: 813.5, 0.00287823/step, 3.7724 hours remaining, 206.507812 MB of memory in use. ENERGY: 281600 773.3492 2117.5336 1918.5068 125.4226 -206367.5313 17776.5059 0.0000 0.0000 34258.7322 -149397.4809 299.1900 -183656.2132 -149298.7399 298.8406 -38.4255 -6.0114 557085.4146 15.3688 15.3024 PRESSURE: 281800 -159.383 80.7251 331.196 80.7256 -313.256 82.9558 331.195 82.9549 118.239 GPRESSURE: 281800 -72.317 108.407 297.83 85.2376 -279.447 119.633 293.087 53.6338 98.2796 PRESSAVG: 281800 4.26956 36.6222 11.9313 36.6222 7.37093 56.5545 11.9313 56.5544 -15.9545 GPRESSAVG: 281800 4.53053 35.2803 14.1701 37.5893 6.11499 53.1823 9.3431 57.0823 -14.3372 TIMING: 281800 CPU: 814.074, 0.0028711/step Wall: 814.074, 0.0028711/step, 3.7629 hours remaining, 206.507812 MB of memory in use. ENERGY: 281800 755.5540 2078.7796 1916.4389 123.7928 -206636.2138 17835.6598 0.0000 0.0000 34320.9841 -149605.0046 299.7337 -183925.9887 -149505.4280 299.0416 -118.1331 -84.4949 555520.0145 -1.4380 -1.2306 PRESSURE: 282000 28.0392 94.2436 -190.712 94.2436 81.7407 -94.2746 -190.711 -94.2741 76.5801 GPRESSURE: 282000 67.152 180.318 -117.579 -20.6278 108.613 -142.398 -144.753 -35.1761 121.402 PRESSAVG: 282000 13.5606 47.4871 5.82784 47.4872 -54.0161 2.60337 5.82777 2.60334 1.32988 GPRESSAVG: 282000 14.0683 48.2911 4.82255 47.4312 -53.691 4.48576 8.28832 1.49416 0.229106 TIMING: 282000 CPU: 814.646, 0.00286126/step Wall: 814.646, 0.00286126/step, 3.74983 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 282000 714.6742 2132.9675 1947.9629 118.9070 -206426.4989 18035.6771 0.0000 0.0000 33917.5204 -149558.7898 296.2101 -183476.3102 -149469.4748 298.3502 62.1200 99.0558 558232.6336 -13.0419 -13.1312 PRESSURE: 282200 -28.1535 83.722 -54.8171 83.721 -103.741 -19.6421 -54.8173 -19.642 19.4074 GPRESSURE: 282200 77.9126 -27.8993 -9.82075 191.746 -137.886 6.4896 -122.997 -91.4579 39.6415 PRESSAVG: 282200 17.7598 39.8864 -59.3533 39.8864 -53.4075 8.59671 -59.3533 8.59671 21.2169 GPRESSAVG: 282200 16.8928 39.3599 -59.2297 41.4179 -52.1849 7.85343 -59.9141 9.84912 20.6718 TIMING: 282200 CPU: 815.221, 0.00287428/step Wall: 815.221, 0.00287429/step, 3.76675 hours remaining, 206.507812 MB of memory in use. ENERGY: 282200 719.5253 2027.4923 1934.5669 121.5421 -206234.6516 17731.1294 0.0000 0.0000 34315.4998 -149384.8959 299.6858 -183700.3956 -149288.6206 298.2356 -37.4957 -6.7774 558977.6245 -4.8102 -4.8734 PRESSURE: 282400 -209.697 -130.047 -133.636 -130.046 59.2513 248.228 -133.637 248.23 -177.512 GPRESSURE: 282400 -163.353 -110.468 -135.771 -115.41 68.7811 234.866 -110.725 265.045 -136.661 PRESSAVG: 282400 51.0587 -11.6646 -60.9622 -11.6646 -53.778 17.6551 -60.9621 17.655 5.1479 GPRESSAVG: 282400 51.4031 -12.4832 -62.8202 -13.8891 -54.3984 18.2573 -60.4682 16.2157 5.28393 TIMING: 282400 CPU: 815.796, 0.00287304/step Wall: 815.796, 0.00287304/step, 3.76496 hours remaining, 206.562500 MB of memory in use. ENERGY: 282400 740.6821 2116.8628 1940.1188 121.4580 -206293.5058 17696.5061 0.0000 0.0000 34260.8584 -149417.0196 299.2086 -183677.8780 -149323.0240 298.4827 -109.3193 -77.0774 558290.4716 0.8095 0.7629 PRESSURE: 282600 -216.771 0.367832 -84.749 0.368624 91.388 103.765 -84.75 103.765 -191.941 GPRESSURE: 282600 -202.492 6.76884 -76.9995 15.2305 101.695 191.098 -30.72 -2.17862 -119.923 PRESSAVG: 282600 5.58895 -14.0601 38.6928 -14.0601 -24.9295 10.8735 38.6928 10.8735 1.06158 GPRESSAVG: 282600 3.50953 -13.571 41.0176 -14.1654 -23.1592 9.89409 38.2888 11.6247 1.47486 TIMING: 282600 CPU: 816.375, 0.00289646/step Wall: 816.375, 0.00289646/step, 3.79549 hours remaining, 206.562500 MB of memory in use. ENERGY: 282600 702.4958 2103.7241 1946.3752 108.1425 -206135.2853 17632.9078 0.0000 0.0000 34292.9389 -149348.7009 299.4888 -183641.6398 -149255.3581 299.1679 -105.7745 -73.5734 557766.0779 -6.0930 -6.0583 PRESSURE: 282800 -355.182 58.4777 -8.91687 58.4774 -346.168 138.327 -8.91736 138.329 -347.472 GPRESSURE: 282800 -311.489 86.2034 -55.9144 18.7546 -326.374 133.696 26.2069 210.984 -320.063 PRESSAVG: 282800 -44.6274 61.8306 -34.0409 61.8307 16.3643 37.4297 -34.041 37.4297 42.6271 GPRESSAVG: 282800 -43.389 62.5745 -33.371 61.2717 14.5959 39.5569 -35.1074 37.7051 43.0436 TIMING: 282800 CPU: 816.949, 0.00287046/step Wall: 816.949, 0.00287046/step, 3.76125 hours remaining, 206.562500 MB of memory in use. ENERGY: 282800 779.7949 2053.3495 1961.0920 116.3289 -205664.6018 17388.5103 0.0000 0.0000 34077.4964 -149288.0297 297.6073 -183365.5261 -149195.3459 299.5031 -349.6073 -319.3086 557893.3547 4.7880 4.7501 PRESSURE: 283000 -172.359 89.7495 -51.6523 89.7508 94.4218 15.9137 -51.6519 15.9138 67.0684 GPRESSURE: 283000 -204.992 103.854 -176.452 136.609 125.267 -18.7413 -18.0461 22.3871 167.799 PRESSAVG: 283000 -44.7885 27.3737 0.308975 27.3737 34.6449 21.2725 0.309005 21.2725 7.9519 GPRESSAVG: 283000 -44.5799 27.6861 -0.491242 27.6041 35.2544 22.1238 0.259485 20.7954 7.11058 TIMING: 283000 CPU: 817.521, 0.00286098/step Wall: 817.521, 0.00286098/step, 3.74868 hours remaining, 206.562500 MB of memory in use. ENERGY: 283000 734.7913 2079.7182 1928.5843 106.2829 -206419.9886 17862.0939 0.0000 0.0000 34309.1799 -149399.3381 299.6306 -183708.5180 -149294.3391 299.6732 -3.6228 29.3580 557417.2794 -0.7306 -0.7383 PRESSURE: 283200 150.764 -144.93 47.9292 -144.929 -79.897 -13.9602 47.9289 -13.9614 -147.553 GPRESSURE: 283200 221.874 -117.519 84.9906 -149.416 -101.339 32.5326 94.4611 53.2995 -98.328 PRESSAVG: 283200 -3.77504 1.66742 31.2133 1.66735 28.0246 27.5588 31.2133 27.5587 45.9742 GPRESSAVG: 283200 -3.52802 1.51566 32.2773 1.29263 27.064 25.5291 32.2585 26.8022 46.6787 TIMING: 283200 CPU: 818.095, 0.00286911/step Wall: 818.095, 0.00286911/step, 3.75917 hours remaining, 206.562500 MB of memory in use. ENERGY: 283200 739.0890 2082.2089 1922.8324 115.8050 -206271.4417 17768.4939 0.0000 0.0000 34375.3772 -149267.6352 300.2087 -183643.0124 -149171.2925 299.0298 -25.5621 7.4023 556446.1268 23.4079 23.4049 PRESSURE: 283400 -73.2151 -55.9344 -35.1025 -55.9347 -15.4299 20.5359 -35.1024 20.5358 -125.972 GPRESSURE: 283400 -54.9886 -46.7415 -78.1004 -4.19662 42.7764 -8.49382 -62.5959 -67.7075 -99.6457 PRESSAVG: 283400 7.56006 -27.7595 26.1773 -27.7595 2.25074 61.9745 26.1775 61.9744 -22.6486 GPRESSAVG: 283400 8.12443 -27.8769 24.654 -25.8759 2.2274 62.137 25.7557 62.1116 -22.6466 TIMING: 283400 CPU: 818.672, 0.00288526/step Wall: 818.672, 0.00288526/step, 3.78018 hours remaining, 206.562500 MB of memory in use. ENERGY: 283400 703.1982 2153.2081 1940.9987 119.8832 -205885.1927 17504.7053 0.0000 0.0000 34155.9865 -149307.2127 298.2927 -183463.1992 -149213.4602 299.6106 -71.5391 -37.2860 555749.6626 -4.2793 -4.0982 PRESSURE: 283600 -45.923 -144.026 -242.988 -144.026 -17.0713 2.33567 -242.987 2.333 3.08729 GPRESSURE: 283600 5.6701 -143.761 -114.404 -177.6 -25.1286 -23.1573 -346.313 -52.3403 64.2134 PRESSAVG: 283600 26.2902 5.25927 -74.3498 5.25935 12.8798 -70.05 -74.3499 -70.05 -67.6749 GPRESSAVG: 283600 25.1439 4.59189 -74.8055 4.08071 12.6837 -69.6566 -73.3243 -69.9903 -67.4372 TIMING: 283600 CPU: 819.251, 0.00289271/step Wall: 819.251, 0.00289271/step, 3.78977 hours remaining, 206.562500 MB of memory in use. ENERGY: 283600 744.0428 2063.3192 1961.3262 115.8376 -206139.3068 17589.3326 0.0000 0.0000 34517.3475 -149148.1009 301.4486 -183665.4484 -149045.6231 299.9268 -19.9690 14.9183 555965.4240 -9.5016 -9.8699 PRESSURE: 283800 183.46 -27.7078 -93.4477 -27.7081 -0.0366196 -70.722 -93.4483 -70.7204 -45.7642 GPRESSURE: 283800 199.119 -18.2252 -135.852 -63.6862 30.0185 -45.1944 -118.1 -90.5688 12.7503 PRESSAVG: 283800 94.7572 -2.92679 -21.3118 -2.92677 -59.8954 -8.58282 -21.3118 -8.58279 -12.7952 GPRESSAVG: 283800 96.2738 -1.26812 -20.424 -3.14222 -59.0312 -8.49694 -21.0816 -9.54661 -14.4596 TIMING: 283800 CPU: 819.83, 0.00289742/step Wall: 819.83, 0.00289742/step, 3.79578 hours remaining, 206.562500 MB of memory in use. ENERGY: 283800 740.1326 2058.4282 1932.7056 122.3775 -206299.8564 17857.6101 0.0000 0.0000 34347.3969 -149241.2055 299.9644 -183588.6023 -149144.7626 299.5807 45.8863 80.6293 555950.6372 7.3555 7.5943 PRESSURE: 284000 -126.971 175.208 -18.8137 175.207 187.255 -24.4547 -18.8136 -24.4539 222.476 GPRESSURE: 284000 -84.6261 106.096 48.8961 178.482 229.106 71.5778 -65.5831 -114.969 239.068 PRESSAVG: 284000 -25.6515 56.1031 -19.6661 56.1032 -47.3918 20.8895 -19.6661 20.8895 33.1362 GPRESSAVG: 284000 -25.962 53.9985 -20.6743 57.1611 -46.5654 21.9928 -19.5895 20.9282 32.5976 TIMING: 284000 CPU: 820.41, 0.00289753/step Wall: 820.41, 0.00289753/step, 3.79576 hours remaining, 206.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 284000 767.9759 2111.3799 1948.2846 106.6182 -206521.3036 18107.0418 0.0000 0.0000 34228.7821 -149251.2211 298.9285 -183480.0032 -149149.5002 298.5199 94.2535 127.8493 557707.1143 -13.3023 -13.3099 PRESSURE: 284200 136.402 132.238 -13.3027 132.237 -197.212 47.0141 -13.3017 47.0138 43.7498 GPRESSURE: 284200 238.339 118.756 -59.2401 69.2963 -192.435 -23.1045 108.415 64.9866 28.4062 PRESSAVG: 284200 -38.6654 12.4333 -65.0559 12.4332 53.1511 25.8569 -65.0558 25.857 9.5628 GPRESSAVG: 284200 -37.8207 13.6389 -63.1427 11.4873 51.7663 23.1224 -67.384 26.6557 10.3402 TIMING: 284200 CPU: 820.991, 0.00290453/step Wall: 820.991, 0.00290453/step, 3.80477 hours remaining, 206.562500 MB of memory in use. ENERGY: 284200 752.4808 2121.7792 1945.4465 118.1229 -206082.6138 17709.7652 0.0000 0.0000 34121.3949 -149313.6242 297.9906 -183435.0192 -149218.8843 298.5494 -5.6865 24.7700 558631.5394 8.0162 8.0952 LDB: ============= START OF LOAD BALANCING ============== 824.378 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 824.378 LDB: =============== DONE WITH MIGRATION ================ 824.38 LDB: ============= START OF LOAD BALANCING ============== 824.672 LDB: Largest compute 4822 load 0.025238 is 21.4% of average load 0.117893 LDB: Average compute 0.001718 is 1.5% of average load 0.117893 LDB: TIME 824.675 LOAD: AVG 0.117893 MAX 0.180093 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 824.675 LOAD: AVG 0.117893 MAX 0.180093 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: TIME 824.675 LOAD: AVG 0.117893 MAX 0.180093 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 824.677 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 824.681 PRESSURE: 284400 -145.397 8.27614 20.6973 8.2763 -18.1559 74.5178 20.6966 74.518 -126.7 GPRESSURE: 284400 -85.9192 9.96531 1.66691 -13.9512 9.5787 32.1834 -34.0622 78.4338 -120.968 PRESSAVG: 284400 59.9628 -12.6408 58.5749 -12.6408 -64.1497 77.8215 58.5749 77.8214 -14.1587 GPRESSAVG: 284400 58.2292 -13.6871 57.6128 -11.535 -64.0307 80.0994 58.8221 75.8848 -12.7383 TIMING: 284400 CPU: 821.585, 0.00297307/step Wall: 821.585, 0.00297307/step, 3.89439 hours remaining, 208.050781 MB of memory in use. ENERGY: 284400 751.5383 2136.3978 1957.5555 123.4512 -206157.9699 17765.7128 0.0000 0.0000 34018.6574 -149404.6571 297.0934 -183423.3145 -149307.8450 298.6596 -96.7509 -65.7696 558497.2837 -6.1152 -6.1800 PRESSURE: 284600 82.2816 43.0279 -74.7386 43.0263 43.6611 142.887 -74.7392 142.888 266.22 GPRESSURE: 284600 120.157 80.6318 -53.5667 45.9442 65.3895 24.0066 -86.1957 222.154 304.358 PRESSAVG: 284600 74.8671 38.4247 21.8222 38.4246 -54.7483 39.3028 21.8222 39.3028 -12.0376 GPRESSAVG: 284600 75.9496 38.3065 22.2409 37.6995 -54.644 37.6932 22.2077 39.7327 -12.9603 TIMING: 284600 CPU: 822.16, 0.00287568/step Wall: 822.16, 0.00287568/step, 3.76667 hours remaining, 208.121094 MB of memory in use. ENERGY: 284600 728.4960 2116.1844 1958.1400 118.5583 -206809.8908 18148.5536 0.0000 0.0000 34343.8471 -149396.1113 299.9334 -183739.9584 -149300.4037 298.9416 130.7210 163.3015 556238.1382 2.6937 2.7818 PRESSURE: 284800 -60.567 90.4787 -137.808 90.4797 -108.982 -259.987 -137.808 -259.988 60.0391 GPRESSURE: 284800 -32.089 111.111 -81.1717 134.874 -58.5219 -241.322 -121.093 -224.301 51.7248 PRESSAVG: 284800 36.0414 -13.6034 -8.78337 -13.6035 -17.8204 -63.8952 -8.78338 -63.8951 -14.7246 GPRESSAVG: 284800 35.4928 -12.1286 -9.40291 -13.6575 -17.0572 -63.0051 -9.44435 -62.6628 -15.2917 TIMING: 284800 CPU: 822.733, 0.00286505/step Wall: 822.733, 0.00286505/step, 3.75257 hours remaining, 208.121094 MB of memory in use. ENERGY: 284800 742.2545 2133.9664 1925.6336 103.4952 -206231.7214 17798.8549 0.0000 0.0000 34197.9439 -149329.5728 298.6591 -183527.5167 -149229.5526 297.8929 -36.5032 -12.9620 557056.8022 1.1655 1.0479 PRESSURE: 285000 15.0397 103.804 -2.20167 103.803 -4.14435 20.9516 -2.20223 20.9523 -58.5214 GPRESSURE: 285000 1.13846 85.7418 39.8354 43.7904 58.9201 113.162 -6.43909 -21.6876 -26.3128 PRESSAVG: 285000 29.6003 30.715 -3.3446 30.715 19.2611 -2.08465 -3.34453 -2.08471 -4.83144 GPRESSAVG: 285000 29.2678 28.3595 -2.75571 31.7699 19.8733 -1.74348 -4.85262 -3.59996 -4.61903 TIMING: 285000 CPU: 823.31, 0.00288315/step Wall: 823.31, 0.00288315/step, 3.77613 hours remaining, 208.132812 MB of memory in use. ENERGY: 285000 722.0044 2112.2625 1972.8497 114.7523 -206305.3980 17811.9741 0.0000 0.0000 34209.8762 -149361.6787 298.7634 -183571.5549 -149266.9827 298.4807 -15.8754 11.2486 557454.6589 14.6766 14.8407 PRESSURE: 285200 -292.237 200.295 -38.7798 200.293 225.26 -2.36365 -38.7807 -2.36395 -265.655 GPRESSURE: 285200 -240.509 204.111 -101.088 135.037 198.99 18.7824 -45.9253 11.9601 -185.726 PRESSAVG: 285200 17.915 53.2147 -1.38792 53.2147 28.7717 33.5028 -1.38793 33.5029 -31.1751 GPRESSAVG: 285200 18.8031 55.4514 -3.81776 50.3759 26.8543 33.1517 0.265335 32.4284 -30.3431 TIMING: 285200 CPU: 823.884, 0.00286861/step Wall: 823.884, 0.00286861/step, 3.75693 hours remaining, 208.132812 MB of memory in use. ENERGY: 285200 714.7372 2083.4428 1963.8772 114.0338 -206179.7346 17750.2769 0.0000 0.0000 34112.0259 -149441.3407 297.9088 -183553.3666 -149342.7450 299.3715 -110.8773 -75.7482 559409.3367 5.1706 5.1048 PRESSURE: 285400 45.8854 48.8237 -32.0254 48.8241 -69.2979 -158.359 -32.0251 -158.358 -8.28894 GPRESSURE: 285400 67.4635 -14.7354 0.252599 35.2074 -11.1602 -143.309 -52.1371 -110.246 -2.51152 PRESSAVG: 285400 39.5975 -65.4516 -1.53485 -65.4516 55.7015 -61.2334 -1.53481 -61.2334 -69.0335 GPRESSAVG: 285400 39.4958 -66.9081 0.730862 -64.7212 57.3664 -62.1028 -2.62998 -57.0227 -70.7414 TIMING: 285400 CPU: 824.463, 0.00289367/step Wall: 824.463, 0.00289367/step, 3.78958 hours remaining, 208.132812 MB of memory in use. ENERGY: 285400 758.9087 2053.4230 1976.1560 122.2679 -206540.2439 17834.0166 0.0000 0.0000 34308.5915 -149486.8802 299.6255 -183795.4716 -149389.4599 298.4197 -10.5671 17.9306 556684.5087 8.7551 8.7070 PRESSURE: 285600 134.837 -30.9221 36.0974 -30.9232 52.171 144.464 36.0971 144.465 -148.59 GPRESSURE: 285600 154.055 8.8895 -47.745 -100.056 78.0528 130.901 35.1883 89.4317 -108.725 PRESSAVG: 285600 0.584251 -37.9143 -16.4919 -37.9143 38.9838 -19.0999 -16.4919 -19.0999 -67.1547 GPRESSAVG: 285600 0.345229 -38.521 -16.6764 -35.8793 36.9459 -19.6487 -15.2176 -20.0271 -65.2746 TIMING: 285600 CPU: 825.033, 0.00285028/step Wall: 825.033, 0.00285028/step, 3.7326 hours remaining, 208.132812 MB of memory in use. ENERGY: 285600 751.1746 2110.5170 1944.8923 106.6564 -206669.6675 17940.3888 0.0000 0.0000 34298.3377 -149517.7008 299.5359 -183816.0384 -149419.9113 298.6250 12.8061 41.1274 556299.9477 -9.1955 -9.3278 PRESSURE: 285800 -137.418 -131.711 19.5566 -131.712 314.676 24.8942 19.5549 24.8949 -147.634 GPRESSURE: 285800 -105.317 -99.0199 -54.3505 -109.884 314.627 -29.3317 83.9871 137.557 -82.8894 PRESSAVG: 285800 -8.16606 -7.65046 22.6936 -7.65042 31.0195 45.0111 22.6935 45.011 -52.7723 GPRESSAVG: 285800 -7.71728 -6.75572 22.4147 -8.73402 31.6054 44.5408 19.9784 44.7946 -53.5444 TIMING: 285800 CPU: 825.605, 0.00286328/step Wall: 825.605, 0.00286328/step, 3.74947 hours remaining, 208.132812 MB of memory in use. ENERGY: 285800 780.5347 2085.0735 1953.7437 111.8558 -206418.5402 18011.2061 0.0000 0.0000 34123.3488 -149352.7776 298.0077 -183476.1263 -149254.9755 298.9598 9.8745 42.1402 557639.8568 -9.9730 -9.8854 PRESSURE: 286000 259.405 -124.34 136.41 -124.341 122.569 100.035 136.411 100.035 187.171 GPRESSURE: 286000 266.868 -170.316 133.482 -47.9223 205.13 81.5731 93.9312 53.2569 202.561 PRESSAVG: 286000 15.6204 -48.1358 22.3537 -48.1358 24.5313 15.8362 22.3536 15.8361 -44.1709 GPRESSAVG: 286000 14.549 -47.5839 21.527 -48.3358 25.5317 15.0492 24.5439 15.7172 -43.964 TIMING: 286000 CPU: 826.179, 0.00286988/step Wall: 826.179, 0.00286988/step, 3.75795 hours remaining, 208.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 286000 752.4623 2080.9463 1955.5362 125.3213 -206539.6018 18161.4534 0.0000 0.0000 34047.7402 -149416.1422 297.3474 -183463.8823 -149320.7206 299.2570 189.7153 224.8533 557003.9570 -1.3397 -1.2944 PRESSURE: 286200 -38.7149 -12.1357 152.096 -12.1356 7.0715 45.1808 152.099 45.1808 -22.1189 GPRESSURE: 286200 -14.0498 -14.9352 145.136 -77.654 -12.2818 49.9246 102.201 36.1435 64.3054 PRESSAVG: 286200 8.4873 -28.2945 13.1857 -28.2946 -38.5241 -23.0035 13.1856 -23.0035 14.2996 GPRESSAVG: 286200 9.65844 -28.3145 11.6912 -28.1957 -39.1538 -22.5181 14.0694 -22.3923 13.5599 TIMING: 286200 CPU: 826.753, 0.00286759/step Wall: 826.753, 0.00286759/step, 3.75479 hours remaining, 208.132812 MB of memory in use. ENERGY: 286200 743.8272 2094.3518 1953.1422 119.6965 -206231.7993 17611.8114 0.0000 0.0000 34299.4260 -149409.5442 299.5454 -183708.9702 -149307.7679 298.9147 -17.9208 12.6579 556317.8483 -5.2457 -5.3118 PRESSURE: 286400 -177.688 -58.9127 113.35 -58.9124 89.2017 -24.3189 113.351 -24.3186 -87.6999 GPRESSURE: 286400 -121.97 -107.288 107.746 -27.7571 98.9276 -17.4266 43.3928 28.8581 -71.778 PRESSAVG: 286400 -49.6253 -64.3027 30.8412 -64.3028 38.2221 34.4152 30.8412 34.4152 4.41756 GPRESSAVG: 286400 -49.9818 -64.943 31.2059 -63.3834 38.6956 36.0812 31.0299 32.2884 4.36992 TIMING: 286400 CPU: 827.324, 0.00285834/step Wall: 827.324, 0.00285834/step, 3.74252 hours remaining, 208.132812 MB of memory in use. ENERGY: 286400 756.6934 2147.6410 1974.6121 118.1416 -206175.9905 17717.0321 0.0000 0.0000 34077.0084 -149384.8618 297.6030 -183461.8702 -149295.4678 298.3025 -58.7288 -31.6067 556938.8305 -2.3285 -2.3054 PRESSURE: 286600 -3.28011 -131.6 73.6074 -131.6 95.9969 11.4121 73.6074 11.4109 -184.026 GPRESSURE: 286600 -16.993 -183.855 -52.4138 -35.655 129.994 -3.75953 98.7626 -14.2851 -117.572 PRESSAVG: 286600 -39.9785 -33.5896 38.9897 -33.5895 6.32512 7.18199 38.9897 7.18193 -4.21462 GPRESSAVG: 286600 -41.3088 -35.2373 40.4328 -32.993 6.92589 6.66347 38.3687 8.39641 -4.05842 TIMING: 286600 CPU: 827.9, 0.00287799/step Wall: 827.9, 0.00287799/step, 3.76809 hours remaining, 208.132812 MB of memory in use. ENERGY: 286600 728.5041 2105.5794 1947.3133 116.2788 -206081.8468 17634.1786 0.0000 0.0000 34208.5823 -149341.4102 298.7521 -183549.9925 -149244.9812 298.8241 -30.4363 -1.5237 556778.0511 -12.6227 -12.8138 PRESSURE: 286800 135.135 85.3925 65.6675 85.3917 16.0127 -43.0837 65.6685 -43.0821 -249.409 GPRESSURE: 286800 95.3686 187.993 53.32 67.4241 73.4133 -54.8018 30.77 29.8889 -171.86 PRESSAVG: 286800 -10.3822 -20.6289 28.5691 -20.6289 80.0613 -56.9437 28.5692 -56.9437 -12.803 GPRESSAVG: 286800 -9.46819 -19.7197 28.2219 -20.5729 80.2179 -57.7962 29.2163 -55.948 -13.7598 TIMING: 286800 CPU: 828.475, 0.00287303/step Wall: 828.475, 0.00287303/step, 3.76143 hours remaining, 208.132812 MB of memory in use. ENERGY: 286800 745.2089 2099.4671 1945.8947 118.0796 -206311.6275 17925.2499 0.0000 0.0000 34158.1920 -149319.5352 298.3120 -183477.7272 -149228.5768 297.9647 -32.7538 -1.0261 557170.0023 18.9587 18.9967 PRESSURE: 287000 -281.375 -93.656 -116.431 -93.6559 120.377 119.222 -116.431 119.222 -102.999 GPRESSURE: 287000 -261.343 -144.134 -148.109 -153.134 173.271 30.6778 -144.748 137.571 -83.1872 PRESSAVG: 287000 -35.3663 -14.7074 33.2788 -14.7075 23.8675 19.2427 33.2788 19.2427 26.7852 GPRESSAVG: 287000 -36.6154 -15.5077 32.5613 -15.1139 24.149 21.7795 32.8276 18.4475 27.5044 TIMING: 287000 CPU: 829.048, 0.00286713/step Wall: 829.048, 0.00286713/step, 3.75356 hours remaining, 208.132812 MB of memory in use. ENERGY: 287000 761.9803 2074.3949 1969.5599 126.7383 -206181.3722 17686.7347 0.0000 0.0000 34200.3668 -149361.5973 298.6803 -183561.9641 -149263.9361 299.3240 -87.9989 -57.0863 557315.1879 5.0955 5.0127 PRESSURE: 287200 -106.216 12.7603 -29.3432 12.7589 -69.2741 -204.87 -29.343 -204.869 71.7153 GPRESSURE: 287200 -96.6253 -41.7592 1.63561 34.3172 -43.2502 -148.716 60.7036 -351.645 134.664 PRESSAVG: 287200 -17.9005 -28.1753 4.10586 -28.1751 23.1281 -3.94656 4.10589 -3.94664 2.7464 GPRESSAVG: 287200 -16.4688 -27.1659 5.59096 -29.078 22.6163 -3.04395 2.72895 -5.1135 2.02861 TIMING: 287200 CPU: 829.621, 0.0028663/step Wall: 829.621, 0.0028663/step, 3.75231 hours remaining, 208.132812 MB of memory in use. ENERGY: 287200 766.2233 2211.8571 1951.9248 118.0937 -206403.3265 17766.8730 0.0000 0.0000 34364.0603 -149224.2943 300.1099 -183588.3546 -149134.9390 298.5536 -34.5915 -1.7373 555093.0401 2.6580 2.7254 PRESSURE: 287400 57.9325 -103.69 -97.9008 -103.689 243.42 -120.378 -97.9002 -120.379 146.615 GPRESSURE: 287400 81.6095 -132.366 -88.7607 -96.7418 303.281 -103.703 -80.5496 -174.622 151.634 PRESSAVG: 287400 -70.0831 -35.0523 15.7129 -35.0523 27.5438 -60.9626 15.7129 -60.9627 44.7911 GPRESSAVG: 287400 -69.7991 -34.5154 14.7932 -34.6947 27.8589 -63.5549 16.5599 -59.8027 44.7399 TIMING: 287400 CPU: 830.193, 0.00286099/step Wall: 830.193, 0.00286099/step, 3.74519 hours remaining, 208.132812 MB of memory in use. ENERGY: 287400 733.3255 2148.7580 1929.8556 108.2784 -206375.3615 17903.0584 0.0000 0.0000 34230.5124 -149321.5732 298.9436 -183552.0856 -149232.3250 299.4495 149.3223 178.8412 556103.4806 0.7506 0.9332 PRESSURE: 287600 -124.862 28.3576 118.112 28.3573 25.1014 -113.113 118.112 -113.112 137.575 GPRESSURE: 287600 -155.763 -21.4192 245.802 73.7082 137.021 -176.647 76.5986 -31.5768 152.908 PRESSAVG: 287600 -9.7648 -35.2579 14.0721 -35.258 35.6477 2.40757 14.0721 2.40752 -3.496 GPRESSAVG: 287600 -10.4445 -35.3944 12.8952 -36.2248 34.7337 1.91053 13.2093 3.52162 -1.85245 TIMING: 287600 CPU: 830.77, 0.00288117/step Wall: 830.77, 0.00288117/step, 3.77146 hours remaining, 208.132812 MB of memory in use. ENERGY: 287600 748.0965 2155.6577 1882.8276 107.4849 -206244.5869 17749.2262 0.0000 0.0000 34211.5304 -149389.7635 298.7778 -183601.2940 -149288.2807 299.2158 12.6049 44.7217 555947.1918 7.4623 7.4789 PRESSURE: 287800 -23.9669 41.3785 83.8438 41.3781 -138.337 31.0077 83.8418 31.0103 -186.21 GPRESSURE: 287800 -33.8587 -11.5064 135.675 34.275 -122.504 -27.6731 114.432 21.7668 -87.1176 PRESSAVG: 287800 -7.17486 -15.0161 28.6871 -15.016 21.6665 -28.7353 28.6871 -28.7353 -24.889 GPRESSAVG: 287800 -6.55366 -14.5165 29.8065 -11.8319 22.1043 -27.5855 30.2017 -28.9824 -25.8676 TIMING: 287800 CPU: 831.345, 0.00287719/step Wall: 831.345, 0.00287719/step, 3.76609 hours remaining, 208.132812 MB of memory in use. ENERGY: 287800 753.5892 2117.2421 1953.2949 102.0106 -205863.4547 17462.5847 0.0000 0.0000 34181.8205 -149292.9127 298.5183 -183474.7332 -149190.8199 299.1383 -116.1712 -81.1601 556865.2851 -3.4658 -3.4390 PRESSURE: 288000 -370.089 -160.203 11.0535 -160.203 -216.75 43.7056 11.0535 43.7052 -105.751 GPRESSURE: 288000 -365.937 -145.838 -38.7131 -149.054 -175.53 64.6476 104.915 116.367 -62.4677 PRESSAVG: 288000 13.8232 1.8432 57.9013 1.84329 17.9069 -4.55688 57.9012 -4.55691 -38.0078 GPRESSAVG: 288000 13.2504 0.33017 57.4176 -0.0470002 17.7825 -3.35462 57.1241 -6.16389 -37.1134 TIMING: 288000 CPU: 831.92, 0.00287232/step Wall: 831.92, 0.00287232/step, 3.75955 hours remaining, 208.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 288000 782.3828 2105.4420 1934.0679 125.1040 -205990.5645 17593.4366 0.0000 0.0000 34053.9498 -149396.1815 297.4016 -183450.1313 -149289.5167 298.8252 -230.8634 -201.3115 557900.6680 -2.0926 -2.0269 PRESSURE: 288200 165.187 -233.54 100.229 -233.54 14.332 -22.3133 100.228 -22.3141 -52.6808 GPRESSURE: 288200 225.522 -202.685 84.9 -226.292 22.1074 94.1486 27.3714 -61.5485 -12.745 PRESSAVG: 288200 1.58814 -63.4045 27.1619 -63.4045 -34.4722 23.7382 27.162 23.7382 3.87456 GPRESSAVG: 288200 1.59118 -63.5435 26.5288 -62.1962 -34.2329 22.7949 26.4294 23.5989 3.73093 TIMING: 288200 CPU: 832.496, 0.00288229/step Wall: 832.496, 0.00288229/step, 3.77243 hours remaining, 208.132812 MB of memory in use. ENERGY: 288200 752.6156 2088.2371 1936.1754 105.4724 -206439.7046 17924.0871 0.0000 0.0000 34291.9044 -149341.2126 299.4797 -183633.1170 -149245.5384 298.9941 42.2793 78.2949 557380.3595 -9.6698 -9.6369 LDB: ============= START OF LOAD BALANCING ============== 835.881 LDB: ============== END OF LOAD BALANCING =============== 835.882 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 835.883 LDB: ============= START OF LOAD BALANCING ============== 836.174 LDB: Largest compute 4822 load 0.024638 is 20.9% of average load 0.117821 LDB: Average compute 0.001717 is 1.5% of average load 0.117821 LDB: TIME 836.177 LOAD: AVG 0.117821 MAX 0.178344 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.562 MB LDB: TIME 836.177 LOAD: AVG 0.117821 MAX 0.178344 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: TIME 836.177 LOAD: AVG 0.117821 MAX 0.178344 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: ============== END OF LOAD BALANCING =============== 836.179 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 836.183 PRESSURE: 288400 78.1201 -8.14609 -91.6714 -8.1462 150.366 108.43 -91.6709 108.431 -7.87708 GPRESSURE: 288400 106.999 190.663 -118.587 -88.6213 197.919 125.871 -119.761 139.093 16.7342 PRESSAVG: 288400 62.4431 -27.7007 -22.2165 -27.7007 -1.85043 -75.6273 -22.2166 -75.6273 -44.9887 GPRESSAVG: 288400 63.5718 -27.9363 -22.5469 -25.9662 -1.66073 -77.3306 -21.9231 -74.0946 -46.2146 TIMING: 288400 CPU: 833.087, 0.00295576/step Wall: 833.087, 0.00295576/step, 3.86843 hours remaining, 206.105469 MB of memory in use. ENERGY: 288400 743.9401 2101.9471 1935.4613 135.1779 -206203.1248 17821.7626 0.0000 0.0000 34208.6360 -149256.1998 298.7525 -183464.8358 -149155.8305 299.4828 73.5363 107.2173 557446.0100 5.2013 5.2322 PRESSURE: 288600 137.275 150.382 -77.64 150.382 214.907 62.6009 -77.641 62.6003 121.81 GPRESSURE: 288600 141.688 181.718 -69.0641 118.866 249.173 102.417 -75.4178 89.3949 191.726 PRESSAVG: 288600 12.3183 12.2208 10.3917 12.2207 -20.1416 18.0585 10.3917 18.0585 26.479 GPRESSAVG: 288600 11.1194 14.673 11.1849 9.40459 -20.1321 18.0472 10.705 18.3876 27.6535 TIMING: 288600 CPU: 833.67, 0.00291181/step Wall: 833.67, 0.00291181/step, 3.81075 hours remaining, 206.105469 MB of memory in use. ENERGY: 288600 717.2306 2121.2564 1947.9507 111.0337 -206427.3461 17916.6021 0.0000 0.0000 34460.7340 -149152.5386 300.9542 -183613.2726 -149052.7938 299.2200 157.9974 194.1956 556683.8030 6.2186 6.2136 PRESSURE: 288800 65.5911 103.091 19.318 103.092 -32.3544 50.805 19.3186 50.8061 177.544 GPRESSURE: 288800 153.912 188.703 90.049 -7.24082 -0.383582 23.0257 -61.7776 -33.0852 152.091 PRESSAVG: 288800 0.182479 12.8009 3.6602 12.801 0.889664 33.8922 3.66025 33.8923 39.055 GPRESSAVG: 288800 2.07378 10.9949 4.10455 13.1946 -0.824554 34.4518 3.68544 32.0811 38.1653 TIMING: 288800 CPU: 834.253, 0.00291472/step Wall: 834.253, 0.00291472/step, 3.81439 hours remaining, 206.105469 MB of memory in use. ENERGY: 288800 712.2195 2079.6725 1935.8977 116.9032 -206083.1051 17685.0827 0.0000 0.0000 34287.3478 -149265.9817 299.4399 -183553.3295 -149169.1494 299.7136 70.2603 101.8729 555649.1287 13.3757 13.1382 PRESSURE: 289000 219.755 -35.3882 -152.282 -35.388 -25.8336 143.316 -152.28 143.316 -192.468 GPRESSURE: 289000 258.008 -98.6115 -164.819 -82.8193 2.61831 142.343 -153.371 166.99 -152.96 PRESSAVG: 289000 32.7468 18.1679 -64.7365 18.168 -14.4754 -1.287 -64.7365 -1.28705 -1.32089 GPRESSAVG: 289000 31.441 17.9797 -66.3462 18.4428 -13.482 -1.10594 -64.3499 0.220895 -1.2472 TIMING: 289000 CPU: 834.831, 0.00289478/step Wall: 834.831, 0.00289478/step, 3.78814 hours remaining, 206.105469 MB of memory in use. ENERGY: 289000 732.2589 2094.5645 1913.7838 118.3340 -206344.2751 18047.2417 0.0000 0.0000 34214.5662 -149223.5260 298.8043 -183438.0922 -149128.5894 299.2072 0.4843 35.8889 557293.2440 5.6502 5.5706 PRESSURE: 289200 -104.496 -126.038 170.714 -126.037 -94.6846 -110.041 170.713 -110.042 -177.068 GPRESSURE: 289200 -58.8982 -129.641 138.372 -152.105 -56.2137 -161.457 183.619 -39.3315 -159.507 PRESSAVG: 289200 45.7428 -12.348 -3.27777 -12.348 -37.2536 -12.5846 -3.27768 -12.5846 50.2245 GPRESSAVG: 289200 45.4376 -11.3307 -3.55575 -12.7731 -37.3533 -12.7874 -1.79383 -14.2781 50.7431 TIMING: 289200 CPU: 835.41, 0.00289104/step Wall: 835.41, 0.00289104/step, 3.78309 hours remaining, 206.175781 MB of memory in use. ENERGY: 289200 774.5618 2064.2700 1914.8316 107.4422 -205987.2215 17768.0793 0.0000 0.0000 34071.1730 -149286.8636 297.5520 -183358.0366 -149199.2953 298.7191 -125.4163 -91.5397 557371.0715 19.5712 19.6091 PRESSURE: 289400 102.159 -11.9237 -32.4322 -11.9229 104.382 55.0238 -32.4339 55.0235 64.5223 GPRESSURE: 289400 143.72 -33.9392 -32.7373 45.2687 112.613 67.7793 -55.8897 113.747 102.921 PRESSAVG: 289400 72.5632 -23.8134 -6.68444 -23.8135 -5.258 26.2326 -6.68446 26.2326 -7.58139 GPRESSAVG: 289400 73.6792 -24.6279 -5.24078 -23.1877 -6.15779 26.8427 -9.11774 28.0293 -8.00203 TIMING: 289400 CPU: 835.987, 0.00288732/step Wall: 835.987, 0.00288732/step, 3.77805 hours remaining, 206.175781 MB of memory in use. ENERGY: 289400 738.1990 2130.0192 1883.9499 114.4650 -206435.2036 17960.7107 0.0000 0.0000 34497.8362 -149110.0235 301.2782 -183607.8598 -149014.1253 299.2151 90.3545 119.7514 558286.0301 19.9079 19.8398 PRESSURE: 289600 253.305 -15.3476 108.401 -15.3482 -109.159 174.627 108.401 174.628 122.963 GPRESSURE: 289600 302.982 -87.446 116.521 -61.1623 -125.41 119.289 80.655 112.89 169.315 PRESSAVG: 289600 88.1372 -20.9247 -38.8236 -20.9246 -79.747 -37.8201 -38.8236 -37.82 -17.1168 GPRESSAVG: 289600 88.5733 -21.5971 -38.5879 -22.1053 -79.1485 -38.023 -38.5015 -39.0168 -18.1151 TIMING: 289600 CPU: 836.566, 0.00289401/step Wall: 836.566, 0.00289401/step, 3.78665 hours remaining, 206.175781 MB of memory in use. ENERGY: 289600 737.8255 2185.4864 1939.9461 116.7323 -206339.2525 17820.0548 0.0000 0.0000 34330.2487 -149208.9586 299.8146 -183539.2073 -149110.8833 299.4810 89.0365 115.6290 556504.1488 -2.9089 -2.8968 PRESSURE: 289800 1.80479 162.9 -2.14268 162.9 -157.887 57.8593 -2.14277 57.8605 306.974 GPRESSURE: 289800 80.9786 63.1298 -48.4973 270.037 -109.913 38.1728 37.0225 96.4001 265.405 PRESSAVG: 289800 57.6876 -7.66294 3.94621 -7.66294 -118.643 -11.1537 3.94617 -11.1537 53.8313 GPRESSAVG: 289800 57.1047 -7.53854 5.57941 -7.17079 -118.388 -11.4842 4.25026 -10.6325 54.2471 TIMING: 289800 CPU: 837.142, 0.00287871/step Wall: 837.142, 0.00287871/step, 3.76648 hours remaining, 206.175781 MB of memory in use. ENERGY: 289800 768.8651 2117.5303 1966.3099 108.8982 -206267.2146 17800.8422 0.0000 0.0000 34230.9431 -149273.8258 298.9473 -183504.7689 -149190.3813 299.1842 50.2971 78.8234 556876.5277 -2.3746 -2.3453 PRESSURE: 290000 47.6473 -19.069 25.2769 -19.0686 -49.007 55.2206 25.2772 55.2202 -103.964 GPRESSURE: 290000 82.128 52.5608 -36.0484 -45.1551 -49.7716 49.8843 64.6714 21.4809 -32.3531 PRESSAVG: 290000 52.2097 5.52703 39.9869 5.52714 -74.1488 -11.4544 39.9869 -11.4545 48.627 GPRESSAVG: 290000 53.781 6.53213 39.7524 5.83911 -75.4568 -12.1307 41.8569 -12.0608 48.7338 TIMING: 290000 CPU: 837.715, 0.00286437/step Wall: 837.715, 0.00286437/step, 3.74756 hours remaining, 206.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 290000 772.6121 2081.9528 1922.7162 111.7962 -206312.9482 17772.9667 0.0000 0.0000 34310.0813 -149340.8229 299.6385 -183650.9043 -149254.4307 299.0416 -35.1078 0.0011 556395.5462 8.8960 9.0194 PRESSURE: 290200 23.0678 -82.3217 170.08 -82.3217 -130.854 131.387 170.079 131.386 -59.3273 GPRESSURE: 290200 25.9593 -13.4481 150.796 -166.852 -76.4948 100.511 227.169 141.212 -15.3868 PRESSAVG: 290200 44.9419 -24.7308 56.1342 -24.7308 -8.21881 33.433 56.1343 33.433 -18.8957 GPRESSAVG: 290200 42.6417 -24.7103 54.5347 -23.828 -6.51955 35.072 55.8753 34.009 -17.6567 TIMING: 290200 CPU: 838.29, 0.00287562/step Wall: 838.29, 0.00287562/step, 3.76211 hours remaining, 206.175781 MB of memory in use. ENERGY: 290200 737.5961 2101.4924 1941.3224 124.3992 -206441.3846 17674.8033 0.0000 0.0000 34534.2108 -149327.5603 301.5959 -183861.7711 -149226.2011 299.0554 -55.7046 -21.9741 556199.7716 5.9424 6.1551 PRESSURE: 290400 -87.9788 -67.3585 121.307 -67.3588 -336.534 -158.915 121.307 -158.913 -83.566 GPRESSURE: 290400 -34.6918 -85.2988 173.162 -95.6958 -281.307 -174.948 65.408 -191.048 -102.057 PRESSAVG: 290400 30.633 25.1758 31.6266 25.1758 -14.0863 -14.0063 31.6266 -14.0063 18.322 GPRESSAVG: 290400 30.8507 25.513 31.0961 24.6138 -13.3146 -14.272 30.7344 -14.5858 17.5604 TIMING: 290400 CPU: 838.867, 0.00288574/step Wall: 838.867, 0.00288574/step, 3.77519 hours remaining, 206.175781 MB of memory in use. ENERGY: 290400 718.3830 2060.5872 1947.7655 108.1665 -205729.6970 17412.9285 0.0000 0.0000 34237.3622 -149244.5040 299.0034 -183481.8662 -149139.4448 299.1579 -169.3595 -139.3519 557758.3666 11.6229 11.6988 PRESSURE: 290600 -126.212 24.695 -40.0029 24.6962 -133.934 60.7714 -40.0022 60.7719 -230.526 GPRESSURE: 290600 -111.612 33.153 -48.1043 69.5375 -61.6975 62.2928 -30.0227 45.8898 -203.839 PRESSAVG: 290600 -2.56294 4.95021 -45.3918 4.9502 4.61624 -5.01238 -45.3919 -5.01222 -26.6577 GPRESSAVG: 290600 -1.12032 5.18077 -43.6614 3.46818 4.35284 -4.1815 -46.1603 -5.28434 -27.8965 TIMING: 290600 CPU: 839.441, 0.00287306/step Wall: 839.441, 0.00287306/step, 3.75845 hours remaining, 206.175781 MB of memory in use. ENERGY: 290600 728.1656 2088.6241 1935.6056 111.9151 -206110.9533 17500.9739 0.0000 0.0000 34348.5873 -149397.0815 299.9748 -183745.6689 -149299.9915 299.4904 -163.5572 -125.7160 556058.4523 -8.2015 -8.2213 PRESSURE: 290800 -111.47 103.924 -217.768 103.925 -222.517 177.485 -217.768 177.486 -139.665 GPRESSURE: 290800 -54.0118 58.6308 -152.171 161.66 -198.307 131.187 -183.304 281.852 -127.606 PRESSAVG: 290800 10.9707 -4.41029 6.54975 -4.41026 -60.9005 -22.1454 6.54983 -22.1456 39.7213 GPRESSAVG: 290800 10.3714 -5.13383 6.14687 -3.74935 -60.8844 -22.6441 6.99471 -20.3573 40.4785 TIMING: 290800 CPU: 840.017, 0.00287629/step Wall: 840.017, 0.00287629/step, 3.76251 hours remaining, 206.175781 MB of memory in use. ENERGY: 290800 722.2614 2044.2292 1923.0974 102.6776 -205821.2814 17465.0505 0.0000 0.0000 34191.7502 -149372.2151 298.6051 -183563.9653 -149270.6843 299.2699 -157.8839 -126.6417 556051.6060 -3.4028 -3.3449 PRESSURE: 291000 -90.5571 -81.7143 85.1152 -81.7151 60.0487 45.797 85.1166 45.7974 -112.756 GPRESSURE: 291000 -12.0452 -89.9556 102.495 -66.3116 56.4366 15.695 83.7149 130.115 -89.2688 PRESSAVG: 291000 -17.5527 49.1145 -5.77714 49.1145 34.0796 -22.0189 -5.77715 -22.0189 -71.0091 GPRESSAVG: 291000 -17.7646 49.4421 -5.42828 51.8439 33.7305 -23.956 -5.19511 -21.2988 -70.8604 TIMING: 291000 CPU: 840.59, 0.00286604/step Wall: 840.59, 0.00286604/step, 3.74893 hours remaining, 206.175781 MB of memory in use. ENERGY: 291000 747.7785 2066.3592 1948.0306 114.7210 -206058.1515 17713.4626 0.0000 0.0000 34289.0013 -149178.7982 299.4544 -183467.7995 -149079.9484 298.4365 -47.7549 -14.9591 557848.6053 -18.1607 -18.2982 PRESSURE: 291200 -330.559 -22.9363 -124.896 -22.9361 -267.473 -74.0615 -124.895 -74.061 53.1818 GPRESSURE: 291200 -274.615 32.3913 -55.2616 -64.2758 -251.135 -58.0397 -204.348 -174.488 84.187 PRESSAVG: 291200 -19.4515 83.4704 -41.5136 83.4704 60.4042 4.95058 -41.5136 4.95061 -23.482 GPRESSAVG: 291200 -19.8234 84.5748 -41.4859 81.2596 59.8856 4.27459 -42.26 3.5513 -23.3596 TIMING: 291200 CPU: 841.164, 0.00286953/step Wall: 841.164, 0.00286953/step, 3.75334 hours remaining, 206.175781 MB of memory in use. ENERGY: 291200 743.1936 2118.0890 1952.6925 109.4539 -205835.8340 17548.8526 0.0000 0.0000 34364.7256 -148998.8268 300.1157 -183363.5524 -148907.3665 299.9848 -181.6166 -147.1877 558287.5370 5.8236 5.5675 PRESSURE: 291400 -20.5314 18.0675 116.407 18.0677 -23.9014 68.843 116.407 68.8424 95.7907 GPRESSURE: 291400 -27.2824 -14.6524 128.015 45.3603 -12.3945 106.852 94.3496 49.6897 174.046 PRESSAVG: 291400 -30.1703 32.7667 -5.18815 32.7668 -6.12245 -66.2188 -5.1882 -66.2188 1.43072 GPRESSAVG: 291400 -29.8685 32.0051 -4.50429 31.5181 -6.78901 -66.1729 -5.20373 -65.8812 1.20257 TIMING: 291400 CPU: 841.737, 0.00286712/step Wall: 841.737, 0.00286712/step, 3.75004 hours remaining, 206.175781 MB of memory in use. ENERGY: 291400 711.4805 2063.4777 1962.9620 112.4324 -206252.2749 17788.1081 0.0000 0.0000 34508.0340 -149105.7803 301.3672 -183613.8143 -148996.7855 300.0721 17.1193 44.7896 557177.4481 -11.6207 -11.8183 PRESSURE: 291600 147.524 217.272 77.4045 217.271 -103.846 -21.462 77.4052 -21.4633 201.774 GPRESSURE: 291600 198.194 258.88 80.9634 150.327 -61.0352 -56.1618 109.976 -3.17078 203.238 PRESSAVG: 291600 59.4171 36.2721 24.5789 36.272 -33.9151 56.6991 24.5789 56.6991 -45.9259 GPRESSAVG: 291600 58.8491 34.8096 24.5232 37.8167 -34.1091 59.4219 27.1995 57.4235 -45.0479 TIMING: 291600 CPU: 842.314, 0.00288131/step Wall: 842.314, 0.00288131/step, 3.76843 hours remaining, 206.175781 MB of memory in use. ENERGY: 291600 773.3283 2124.3338 1922.1297 114.0138 -206300.1971 18064.8083 0.0000 0.0000 34217.4965 -149084.0867 298.8299 -183301.5832 -148987.0669 299.5527 81.8172 113.4656 556656.7593 -6.8080 -6.7693 PRESSURE: 291800 -22.5148 189.425 -149.326 189.424 57.3872 70.6351 -149.326 70.6357 -236.318 GPRESSURE: 291800 -2.17714 114.405 -283.803 210.973 64.2459 19.8572 -190.688 45.5733 -168.193 PRESSAVG: 291800 14.9615 10.8244 5.61252 10.8244 9.50035 16.5852 5.61257 16.585 -22.1349 GPRESSAVG: 291800 14.6752 11.6383 4.14205 9.70636 10.2987 15.8885 5.8585 14.5559 -22.1303 TIMING: 291800 CPU: 842.89, 0.00288005/step Wall: 842.89, 0.00288005/step, 3.76662 hours remaining, 206.175781 MB of memory in use. ENERGY: 291800 794.9723 2075.7927 1946.6435 110.1474 -205763.3893 17617.0353 0.0000 0.0000 34187.9720 -149030.8261 298.5721 -183218.7981 -148937.4081 299.6225 -67.1485 -35.3748 557083.3095 0.7756 0.9479 PRESSURE: 292000 71.8419 42.3139 72.7517 42.314 -63.4624 -95.7317 72.7518 -95.7331 141.614 GPRESSURE: 292000 147.637 26.6063 140.134 -12.649 -39.2245 -203.472 -80.3213 -75.0529 144.021 PRESSAVG: 292000 23.4428 -12.2489 11.1336 -12.2489 -14.427 20.9041 11.1336 20.9041 19.9756 GPRESSAVG: 292000 26.0868 -12.1962 13.5308 -12.5083 -15.3482 19.2731 8.75459 21.7006 18.715 TIMING: 292000 CPU: 843.468, 0.00289152/step Wall: 843.468, 0.00289152/step, 3.78146 hours remaining, 206.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 292000 758.1843 2106.5617 1944.3184 116.5243 -206121.7461 17802.3069 0.0000 0.0000 34290.7759 -149103.0746 299.4699 -183393.8505 -149012.8377 299.3588 49.9978 84.1444 557273.4029 9.6638 9.8179 PRESSURE: 292200 43.85 126.782 192.397 126.781 -134.406 323.474 192.397 323.475 -308.062 GPRESSURE: 292200 63.8141 91.978 259.399 99.0328 -110.664 300.444 163.499 269.219 -249.934 PRESSAVG: 292200 9.63559 -13.2701 12.1157 -13.2699 -33.1648 53.6637 12.1157 53.6637 47.8681 GPRESSAVG: 292200 8.38096 -14.32 11.084 -12.5915 -31.3086 54.9041 13.6424 52.6691 47.8243 TIMING: 292200 CPU: 844.046, 0.00288895/step Wall: 844.046, 0.00288895/step, 3.77794 hours remaining, 206.175781 MB of memory in use. ENERGY: 292200 735.0748 2086.7609 1965.2713 121.0799 -206293.7611 17776.7647 0.0000 0.0000 34470.9585 -149137.8510 301.0435 -183608.8096 -149042.3971 299.5910 -132.8726 -98.9279 557688.8003 8.1129 8.2989 LDB: ============= START OF LOAD BALANCING ============== 847.429 LDB: ============== END OF LOAD BALANCING =============== 847.429 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 847.43 LDB: ============= START OF LOAD BALANCING ============== 847.72 LDB: Largest compute 4822 load 0.023195 is 19.7% of average load 0.117863 LDB: Average compute 0.001709 is 1.5% of average load 0.117863 LDB: TIME 847.722 LOAD: AVG 0.117863 MAX 0.181013 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.938 MB LDB: TIME 847.723 LOAD: AVG 0.117863 MAX 0.181013 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.137 MB LDB: TIME 847.723 LOAD: AVG 0.117863 MAX 0.181013 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 847.725 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 847.729 PRESSURE: 292400 187.709 -26.3304 -26.8867 -26.3308 292.627 59.8216 -26.8862 59.8217 17.2151 GPRESSURE: 292400 223.482 30.1998 -67.2423 27.0678 268.444 18.5221 -59.5388 -21.2924 99.7151 PRESSAVG: 292400 -15.3386 70.1132 -12.2827 70.113 45.0463 33.5272 -12.2827 33.5273 -21.8021 GPRESSAVG: 292400 -14.4651 71.0066 -14.0189 70.349 43.8742 33.4943 -11.5615 33.6485 -21.1225 TIMING: 292400 CPU: 844.633, 0.00293751/step Wall: 844.633, 0.00293751/step, 3.84129 hours remaining, 205.351562 MB of memory in use. ENERGY: 292400 766.0285 2092.1086 1930.3802 115.5198 -206483.8861 18143.1931 0.0000 0.0000 34261.0643 -149175.5916 299.2104 -183436.6559 -149082.2433 299.8778 165.8503 197.2137 556959.0851 2.6352 2.7622 PRESSURE: 292600 -15.5689 -125.775 -178.743 -125.775 357.62 -28.0888 -178.742 -28.0878 19.7412 GPRESSURE: 292600 33.9025 -142.174 -147.595 -132.086 348.656 -67.057 -132.214 44.7929 68.6302 PRESSAVG: 292600 31.7201 36.9078 -63.2322 36.9079 -17.4542 -21.8303 -63.2321 -21.8303 -5.56849 GPRESSAVG: 292600 31.5503 35.1924 -61.688 36.7039 -18.063 -20.044 -64.8131 -21.5532 -4.76252 TIMING: 292600 CPU: 845.209, 0.00288138/step Wall: 845.209, 0.00288138/step, 3.76773 hours remaining, 205.554688 MB of memory in use. ENERGY: 292600 723.4513 2074.8212 1974.9891 111.2618 -206125.3249 17835.5801 0.0000 0.0000 34280.3311 -149124.8903 299.3787 -183405.2214 -149028.4247 299.5694 120.5974 150.3961 557874.8212 2.8991 2.9083 PRESSURE: 292800 -59.131 -65.7497 29.7762 -65.7487 7.0048 6.48219 29.7763 6.4812 -7.10594 GPRESSURE: 292800 -35.7865 -79.5271 -55.0238 -129.075 -21.7405 -56.702 120.509 67.616 92.4613 PRESSAVG: 292800 50.9922 22.1566 -1.3588 22.1566 -22.3059 -0.396256 -1.35885 -0.396222 -0.247264 GPRESSAVG: 292800 51.5971 23.4333 -1.88244 20.6356 -22.9013 -4.69146 1.02137 0.821501 -0.022463 TIMING: 292800 CPU: 845.79, 0.00290432/step Wall: 845.79, 0.00290432/step, 3.79756 hours remaining, 205.554688 MB of memory in use. ENERGY: 292800 748.9964 2070.3208 1949.4082 121.1992 -205907.0099 17597.9590 0.0000 0.0000 34190.0215 -149229.1048 298.5900 -183419.1263 -149135.9659 299.1824 -19.7440 11.6448 558505.4210 9.4797 9.5578 PRESSURE: 293000 47.7015 103.941 -36.4088 103.94 133.075 15.1693 -36.409 15.1688 100.303 GPRESSURE: 293000 16.5642 109.242 44.269 77.0469 205.613 67.2499 -69.5646 -23.933 142.844 PRESSAVG: 293000 3.87715 -13.4832 43.2104 -13.4832 -66.0719 -9.23919 43.2103 -9.23922 76.0228 GPRESSAVG: 293000 3.53075 -14.3588 44.1611 -12.7055 -64.8309 -8.43968 40.2916 -9.10825 74.9383 TIMING: 293000 CPU: 846.375, 0.00292595/step Wall: 846.375, 0.00292595/step, 3.82568 hours remaining, 205.554688 MB of memory in use. ENERGY: 293000 760.7422 2156.9512 1953.3977 108.0882 -206269.9407 17865.9914 0.0000 0.0000 34162.7935 -149261.9765 298.3522 -183424.7699 -149164.1551 299.0457 93.6932 121.6738 556719.1742 4.6093 4.5460 PRESSURE: 293200 -65.124 -96.5414 13.9028 -96.5421 -77.1541 206.131 13.9029 206.131 189.838 GPRESSURE: 293200 -4.07618 -52.9453 66.7644 -139.592 -23.9373 231.565 54.1843 129.921 171.807 PRESSAVG: 293200 -30.1062 0.139399 -5.59013 0.139322 -15.4668 -43.9873 -5.59014 -43.9872 36.3422 GPRESSAVG: 293200 -30.3626 0.876594 -6.27471 0.727528 -15.4489 -41.1679 -6.93426 -45.3923 36.7833 TIMING: 293200 CPU: 846.961, 0.00292638/step Wall: 846.961, 0.00292638/step, 3.82608 hours remaining, 205.554688 MB of memory in use. ENERGY: 293200 733.3925 2139.7028 1949.1487 122.2327 -206215.8069 17798.8149 0.0000 0.0000 34211.0691 -149261.4463 298.7738 -183472.5154 -149167.7185 299.3027 15.8533 47.9311 557682.9845 -3.0770 -3.0094 PRESSURE: 293400 -166.753 96.0473 -51.4751 96.048 -178.881 -11.6035 -51.4742 -11.6059 -247.592 GPRESSURE: 293400 -79.9201 40.3221 -76.6547 58.6282 -164.966 -62.0465 -21.0131 25.9751 -255.162 PRESSAVG: 293400 52.3584 -39.1479 -3.19181 -39.1478 -54.061 23.3177 -3.19172 23.3178 0.712338 GPRESSAVG: 293400 53.0448 -39.7961 -4.3052 -38.3434 -54.309 20.8164 -1.91026 23.9497 0.32393 TIMING: 293400 CPU: 847.542, 0.00290823/step Wall: 847.542, 0.00290823/step, 3.80218 hours remaining, 205.554688 MB of memory in use. ENERGY: 293400 773.1061 2092.0600 1949.3660 112.5130 -206358.0803 17654.6741 0.0000 0.0000 34387.5798 -149388.7813 300.3153 -183776.3611 -149290.6123 299.2543 -197.7422 -166.6829 557642.9736 -0.3301 -0.3134 PRESSURE: 293600 -207.388 -18.962 -81.5695 -18.962 -189.567 -73.9609 -81.5689 -73.9611 -265.266 GPRESSURE: 293600 -203.424 51.598 -40.7782 -57.1526 -169.652 -68.8139 -204.706 -25.1348 -202.847 PRESSAVG: 293600 8.37041 14.858 -34.4804 14.858 24.5782 -0.893733 -34.4804 -0.893727 -34.4653 GPRESSAVG: 293600 9.59864 14.726 -32.5398 14.7684 22.7987 0.949184 -34.3055 -0.435609 -33.8138 TIMING: 293600 CPU: 848.123, 0.00290223/step Wall: 848.123, 0.00290223/step, 3.79419 hours remaining, 205.554688 MB of memory in use. ENERGY: 293600 745.2348 2134.4623 1951.7201 121.1056 -206207.1786 17536.5216 0.0000 0.0000 34331.6954 -149386.4387 299.8272 -183718.1342 -149286.3926 298.7986 -220.7403 -191.9744 557576.6954 -0.5056 -0.4722 PRESSURE: 293800 -38.7888 86.3768 63.3145 86.3773 -163.481 65.8552 63.3139 65.8561 -176.456 GPRESSURE: 293800 -13.3478 119.384 10.8235 -4.06822 -81.0888 70.9601 74.4824 78.8633 -195.915 PRESSAVG: 293800 -38.0978 54.1116 23.4416 54.1115 32.3997 -26.0117 23.4416 -26.0117 57.6849 GPRESSAVG: 293800 -39.5441 51.8351 24.8645 55.1859 34.2891 -25.8456 23.0738 -27.1329 57.6305 TIMING: 293800 CPU: 848.699, 0.00288241/step Wall: 848.699, 0.00288241/step, 3.76811 hours remaining, 205.554688 MB of memory in use. ENERGY: 293800 740.0377 2099.0967 1940.6391 112.9788 -206240.1808 17652.1227 0.0000 0.0000 34322.7461 -149372.5597 299.7491 -183695.3058 -149281.6454 298.5191 -126.2422 -96.7839 557554.3885 17.3289 17.4585 PRESSURE: 294000 47.9856 -100.056 -197.855 -100.057 -77.0279 -51.8857 -197.853 -51.8863 -333.894 GPRESSURE: 294000 40.1908 -85.7413 -255.036 -30.342 -42.9846 -97.9032 -245.64 12.0871 -259.806 PRESSAVG: 294000 -0.4323 32.6191 -10.7631 32.6192 -6.48905 -12.7289 -10.763 -12.7288 -27.5274 GPRESSAVG: 294000 -1.55534 32.5435 -13.4708 33.7634 -6.19485 -13.7347 -10.5109 -11.8874 -26.4084 TIMING: 294000 CPU: 849.273, 0.00286762/step Wall: 849.273, 0.00286762/step, 3.74861 hours remaining, 205.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 294000 750.9402 2054.5724 1974.1390 102.3098 -206130.4494 17756.3491 0.0000 0.0000 34270.8523 -149221.2865 299.2959 -183492.1388 -149116.7090 299.5953 -120.9787 -87.5332 558963.7606 -11.4829 -11.3862 PRESSURE: 294200 -41.1218 -1.26792 -68.1393 -1.26689 121.058 -78.1594 -68.1404 -78.1595 70.1194 GPRESSURE: 294200 16.2965 -79.3012 -73.6575 -49.6907 100.966 -52.4501 -51.9541 -48.6877 132.215 PRESSAVG: 294200 -4.86669 -3.65731 5.69838 -3.65722 38.4416 4.30136 5.69846 4.30122 -36.3435 GPRESSAVG: 294200 -3.14252 -1.60297 6.08567 -4.94425 37.7569 4.07493 5.9256 4.34049 -37.3948 TIMING: 294200 CPU: 849.848, 0.00287466/step Wall: 849.848, 0.00287466/step, 3.75766 hours remaining, 205.699219 MB of memory in use. ENERGY: 294200 728.7293 2088.6677 1940.8397 111.5183 -205882.5488 17701.4425 0.0000 0.0000 34159.9561 -149151.3952 298.3274 -183311.3514 -149049.1125 299.0859 50.0185 83.1593 557485.2756 -0.9229 -0.9268 PRESSURE: 294400 -253.681 -51.2064 -98.1622 -51.206 -51.0817 18.0451 -98.163 18.0442 -144.929 GPRESSURE: 294400 -247.325 -49.6524 -18.9523 -90.3033 40.9387 -76.3818 -92.9052 -4.56565 -148.324 PRESSAVG: 294400 -10.519 51.5649 7.793 51.5649 38.3144 22.5988 7.79301 22.5988 -10.606 GPRESSAVG: 294400 -11.5828 51.7283 8.70312 52.5829 39.783 23.4296 8.10831 23.4215 -10.8193 TIMING: 294400 CPU: 850.424, 0.00288237/step Wall: 850.424, 0.00288237/step, 3.76758 hours remaining, 205.699219 MB of memory in use. ENERGY: 294400 807.8075 2111.4224 1942.3502 124.2288 -206091.3072 17631.3338 0.0000 0.0000 34253.7370 -149220.4275 299.1464 -183474.1645 -149126.1890 299.9661 -149.8971 -118.2365 556616.0339 5.7298 5.7936 PRESSURE: 294600 -340.844 164.842 -39.9161 164.844 -308.673 -84.2159 -39.9153 -84.2148 -324.87 GPRESSURE: 294600 -316.478 140.849 -199.28 227.278 -301.655 -99.2718 38.7918 4.44717 -259.918 PRESSAVG: 294600 10.8643 61.673 -0.933169 61.673 -2.80717 -10.9555 -0.933199 -10.9554 -9.51578 GPRESSAVG: 294600 10.9541 62.5745 -0.747502 59.8641 -2.52637 -10.9948 -0.256273 -12.6156 -9.45934 TIMING: 294600 CPU: 851.003, 0.0028923/step Wall: 851.003, 0.0028923/step, 3.7804 hours remaining, 205.699219 MB of memory in use. ENERGY: 294600 768.0518 2157.7694 1945.2138 115.4497 -206052.1339 17322.2699 0.0000 0.0000 34410.3474 -149333.0320 300.5141 -183743.3794 -149233.1976 299.3181 -324.7958 -292.6837 555959.0645 -0.4862 -0.3439 PRESSURE: 294800 21.7226 -23.329 -55.64 -23.329 -101.666 -56.4915 -55.6409 -56.4912 -128.555 GPRESSURE: 294800 83.3445 -19.1841 -94.6746 -79.5298 -124.221 -49.7762 -74.6342 -93.8028 -76.5596 PRESSAVG: 294800 9.0155 -47.4941 -19.3863 -47.4942 -7.68521 3.06871 -19.3864 3.06878 -15.4033 GPRESSAVG: 294800 9.42555 -49.7851 -20.0761 -45.2452 -7.98754 2.27543 -19.4354 3.17934 -15.6668 TIMING: 294800 CPU: 851.586, 0.00291684/step Wall: 851.586, 0.00291684/step, 3.8123 hours remaining, 205.699219 MB of memory in use. ENERGY: 294800 755.8383 2158.7067 1937.5689 114.2712 -206441.2933 17713.4524 0.0000 0.0000 34400.8415 -149360.6145 300.4311 -183761.4559 -149267.4166 300.2170 -69.4995 -39.1455 555415.2729 -4.6910 -4.7429 PRESSURE: 295000 1.78735 30.2018 -84.5248 30.2015 102.911 114.107 -84.5225 114.106 40.3531 GPRESSURE: 295000 -15.4381 36.7503 -122.869 86.5763 115.279 158.516 -40.729 102.6 140.629 PRESSAVG: 295000 41.4404 -2.23776 20.2104 -2.2378 -24.4568 -14.8487 20.2105 -14.8488 10.5293 GPRESSAVG: 295000 41.977 -0.178837 18.6261 -2.78652 -25.1437 -14.6526 20.6482 -14.0611 10.7521 TIMING: 295000 CPU: 852.17, 0.00292069/step Wall: 852.17, 0.00292069/step, 3.81718 hours remaining, 205.699219 MB of memory in use. ENERGY: 295000 719.6576 2137.0874 1937.9773 125.0681 -206156.9275 17615.5648 0.0000 0.0000 34278.1375 -149343.4348 299.3595 -183621.5723 -149247.2550 299.1324 48.3506 80.1567 556721.4815 9.1709 9.1951 PRESSURE: 295200 260.202 -25.7838 32.4996 -25.7854 148.767 -99.2501 32.5003 -99.2504 -39.2785 GPRESSURE: 295200 295.873 -12.4626 27.3183 -36.0969 197.331 -35.2851 157.204 -110.188 -17.2183 PRESSAVG: 295200 88.9662 15.0907 -32.8248 15.0907 19.6707 32.4176 -32.8247 32.4177 -66.0955 GPRESSAVG: 295200 88.1386 15.768 -30.9074 13.9488 19.8552 33.1709 -33.2399 33.3875 -65.7406 TIMING: 295200 CPU: 852.751, 0.00290431/step Wall: 852.751, 0.00290431/step, 3.79561 hours remaining, 205.699219 MB of memory in use. ENERGY: 295200 731.8479 2046.6878 1974.1710 127.8149 -206233.9703 17880.5225 0.0000 0.0000 34129.6030 -149343.3232 298.0623 -183472.9262 -149256.4301 299.2391 123.2302 158.6621 556760.8731 14.1804 14.0844 PRESSURE: 295400 -29.9217 -35.579 -120.405 -35.5788 138.082 249.64 -120.405 249.64 -32.588 GPRESSURE: 295400 -61.4178 -41.3132 -32.6683 -135.059 211.79 288.439 -122.328 236.175 24.174 PRESSAVG: 295400 34.6513 -23.9831 -39.0488 -23.983 32.1321 44.3327 -39.0488 44.3327 -48.659 GPRESSAVG: 295400 35.2461 -23.9354 -38.3507 -24.0818 33.0349 43.4961 -39.7556 44.9824 -49.8661 TIMING: 295400 CPU: 853.33, 0.00289532/step Wall: 853.33, 0.00289532/step, 3.7837 hours remaining, 205.699219 MB of memory in use. ENERGY: 295400 772.4277 2025.6647 1959.3473 103.3044 -206016.3303 17723.4139 0.0000 0.0000 34178.7632 -149253.4090 298.4916 -183432.1722 -149153.9191 299.3703 25.1909 58.1820 556892.3849 6.0415 6.1383 PRESSURE: 295600 -170.671 -9.64468 -64.744 -9.64271 292.382 -44.7997 -64.7447 -44.7991 160.58 GPRESSURE: 295600 -107.701 -116.877 -29.8896 14.2422 336.66 -45.2672 -118.592 -35.1086 152.298 PRESSAVG: 295600 -43.4836 -23.5722 -29.0184 -23.5721 49.4963 2.22843 -29.0184 2.22843 0.727153 GPRESSAVG: 295600 -43.3036 -24.4735 -30.4028 -23.3665 49.4117 4.69757 -26.9431 0.533072 0.28042 TIMING: 295600 CPU: 853.909, 0.0028928/step Wall: 853.909, 0.0028928/step, 3.78025 hours remaining, 205.699219 MB of memory in use. ENERGY: 295600 742.7029 2076.0991 1957.2054 95.5711 -206229.0183 17804.1816 0.0000 0.0000 34451.3195 -149101.9385 300.8719 -183553.2581 -148998.9226 299.5500 94.0970 127.0857 556084.3805 2.2466 2.1295 PRESSURE: 295800 -166.594 -70.155 -47.0095 -70.1566 -204.738 24.7657 -47.0104 24.7654 -0.708977 GPRESSURE: 295800 -113.172 -126.964 28.8643 5.72489 -180.111 108.851 -193.806 -54.2849 16.7916 PRESSAVG: 295800 28.3566 34.3187 2.68626 34.3188 -5.01482 -11.8848 2.6862 -11.8848 -53.6979 GPRESSAVG: 295800 28.2284 35.3158 2.38482 34.0251 -5.85186 -12.976 0.992636 -11.031 -52.6649 TIMING: 295800 CPU: 854.484, 0.00287612/step Wall: 854.484, 0.00287612/step, 3.75829 hours remaining, 205.699219 MB of memory in use. ENERGY: 295800 754.3472 2062.3386 1920.9630 106.7716 -205575.8637 17529.6001 0.0000 0.0000 34154.2403 -149047.6030 298.2775 -183201.8433 -148945.8997 299.7613 -124.0137 -92.1637 558444.6494 -10.1187 -10.0961 PRESSURE: 296000 -377.522 -94.8353 82.226 -94.8366 -55.075 32.6226 82.2275 32.6221 -43.2611 GPRESSURE: 296000 -383.936 -136.879 107.888 -82.2061 20.7598 71.4029 -25.484 7.04208 -17.7267 PRESSAVG: 296000 -20.8494 12.6759 32.5129 12.6758 51.7472 -11.6755 32.5129 -11.6756 -5.84964 GPRESSAVG: 296000 -19.4934 9.94787 31.7772 10.4819 51.5597 -11.2995 35.6835 -11.8345 -6.68982 TIMING: 296000 CPU: 855.061, 0.00288426/step Wall: 855.061, 0.00288426/step, 3.76876 hours remaining, 205.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 296000 754.2683 2138.9778 1959.0575 117.1640 -205946.9627 17633.1033 0.0000 0.0000 34245.7468 -149098.6450 299.0766 -183344.3918 -149007.9707 299.9706 -158.6193 -126.9677 558587.7811 8.3494 8.4588 PRESSURE: 296200 -42.4063 52.9597 114.115 52.9606 -298.603 -13.6331 114.115 -13.6325 72.1438 GPRESSURE: 296200 -17.5515 93.3716 191.733 0.991371 -308.224 -19.116 133.852 26.9707 155.278 PRESSAVG: 296200 -31.4537 4.99876 -21.0643 4.99881 -27.6955 -36.8096 -21.0643 -36.8096 75.2678 GPRESSAVG: 296200 -30.3094 6.49135 -19.1373 5.13759 -28.423 -37.1847 -23.8022 -36.7694 74.7265 TIMING: 296200 CPU: 855.639, 0.00289035/step Wall: 855.639, 0.00289035/step, 3.77657 hours remaining, 205.699219 MB of memory in use. ENERGY: 296200 729.0446 2058.1428 1960.5947 127.6682 -205786.8440 17668.6160 0.0000 0.0000 34311.4801 -148931.2976 299.6507 -183242.7777 -148834.2536 299.8609 -89.6218 -56.8326 557506.2383 5.3729 5.3313 LDB: ============= START OF LOAD BALANCING ============== 859.021 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 859.021 LDB: =============== DONE WITH MIGRATION ================ 859.022 LDB: ============= START OF LOAD BALANCING ============== 859.309 LDB: Largest compute 4822 load 0.024105 is 20.4% of average load 0.117954 LDB: Average compute 0.001713 is 1.5% of average load 0.117954 LDB: TIME 859.312 LOAD: AVG 0.117954 MAX 0.179272 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.633 MB LDB: TIME 859.312 LOAD: AVG 0.117954 MAX 0.179272 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: TIME 859.312 LOAD: AVG 0.117954 MAX 0.179272 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: ============== END OF LOAD BALANCING =============== 859.315 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 859.319 PRESSURE: 296400 -159.187 83.6746 -58.9114 83.6747 -186.998 129.514 -58.9107 129.515 -454.743 GPRESSURE: 296400 -125.38 92.7371 51.3483 70.5563 -162.603 79.2185 -97.232 120.914 -413.021 PRESSAVG: 296400 57.5693 5.37817 12.6049 5.37812 33.3473 13.2613 12.6049 13.2613 -108.065 GPRESSAVG: 296400 55.5606 5.68754 14.1963 6.56063 34.775 12.8687 10.4525 14.3452 -107.648 TIMING: 296400 CPU: 856.223, 0.00292181/step Wall: 856.223, 0.00292181/step, 3.8175 hours remaining, 205.738281 MB of memory in use. ENERGY: 296400 727.6610 2062.0005 1947.7771 116.1226 -205499.8236 17455.9074 0.0000 0.0000 34106.1024 -149084.2527 297.8571 -183190.3551 -148983.6571 298.8290 -266.9758 -233.6680 558305.2112 -5.7163 -5.7707 PRESSURE: 296600 -115.976 -4.27193 73.1528 -4.27327 151.418 -166.012 73.1532 -166.013 -210.917 GPRESSURE: 296600 -62.3688 -20.8571 75.1312 -7.95187 129.759 -132.972 83.177 -199.092 -152.227 PRESSAVG: 296600 -3.86884 16.5336 -3.12217 16.5336 83.1686 37.6281 -3.12212 37.628 -55.332 GPRESSAVG: 296600 -2.54945 16.8524 -5.96997 17.7899 81.929 37.9253 -0.536947 36.5443 -54.9439 TIMING: 296600 CPU: 856.799, 0.00288015/step Wall: 856.799, 0.00288015/step, 3.76292 hours remaining, 205.738281 MB of memory in use. ENERGY: 296600 763.2714 2092.3756 1944.2608 121.4217 -206044.0682 17807.3102 0.0000 0.0000 34361.6359 -148953.7928 300.0887 -183315.4286 -148859.2577 299.6996 -58.4916 -28.2789 557389.8473 7.9892 8.1452 PRESSURE: 296800 38.5455 6.73788 -77.0282 6.73852 92.4962 -77.9014 -77.0292 -77.9026 -297.923 GPRESSURE: 296800 -2.65494 -49.4584 -91.6061 -22.1491 130.641 -70.6813 -20.3236 -20.8495 -202.974 PRESSAVG: 296800 9.03303 4.58432 9.38601 4.58437 -11.9218 -37.1305 9.38609 -37.1306 -2.84167 GPRESSAVG: 296800 8.58608 3.75651 11.2122 3.74704 -11.3554 -38.8123 7.31761 -35.508 -3.59417 TIMING: 296800 CPU: 857.376, 0.00288213/step Wall: 857.376, 0.00288213/step, 3.76534 hours remaining, 205.738281 MB of memory in use. ENERGY: 296800 781.6466 2178.2094 1941.5828 115.0222 -206070.3615 17809.3015 0.0000 0.0000 34259.8247 -148984.7743 299.1996 -183244.5990 -148892.1979 300.2959 -55.6272 -24.9962 558036.6133 -1.9102 -2.1212 PRESSURE: 297000 130.478 -203.358 -58.3599 -203.358 -65.7574 81.3403 -58.3603 81.3407 -136.679 GPRESSURE: 297000 141.845 -178.858 -42.1547 -151.45 -50.4369 99.4258 -140.42 7.75075 -63.545 PRESSAVG: 297000 0.80226 -4.1348 -37.3562 -4.13489 46.6652 51.7635 -37.3561 51.7636 -26.5047 GPRESSAVG: 297000 0.312825 -3.20525 -38.1654 -5.02212 46.3261 52.9353 -35.0192 51.1364 -25.7212 TIMING: 297000 CPU: 857.951, 0.00287816/step Wall: 857.951, 0.00287816/step, 3.76 hours remaining, 205.738281 MB of memory in use. ENERGY: 297000 779.9703 2100.1520 1921.2925 121.0001 -205850.4650 17731.3654 0.0000 0.0000 34127.0546 -149069.6301 298.0401 -183196.6847 -148972.4334 300.5093 -23.9864 9.2876 556814.8122 6.9876 6.9726 PRESSURE: 297200 -246.427 -105.358 98.9728 -105.358 -90.4787 58.5106 98.9723 58.5109 -75.455 GPRESSURE: 297200 -214.198 -62.2852 152.958 -106.942 -36.8727 114.402 91.1794 21.6064 -60.453 PRESSAVG: 297200 -55.624 -102.114 -53.6329 -102.114 37.629 85.2233 -53.633 85.2235 50.8076 GPRESSAVG: 297200 -56.0082 -104.205 -52.9481 -101.975 38.3188 85.6436 -56.3373 83.8197 50.193 TIMING: 297200 CPU: 858.527, 0.00287694/step Wall: 858.527, 0.00287694/step, 3.75824 hours remaining, 205.738281 MB of memory in use. ENERGY: 297200 716.1712 2089.2251 1929.1450 112.7167 -205830.7639 17374.5757 0.0000 0.0000 34418.6468 -149190.2835 300.5866 -183608.9303 -149090.2502 300.1050 -137.4537 -103.8412 557246.4079 10.9375 10.8345 PRESSURE: 297400 463.423 -95.7961 -23.2924 -95.7953 201.294 116.075 -23.2922 116.074 34.0844 GPRESSURE: 297400 533.415 -64.9322 4.80324 -149.812 228.946 228.155 -21.0276 145.958 36.1879 PRESSAVG: 297400 56.7754 -31.4591 13.9144 -31.459 7.87114 47.681 13.9145 47.6808 -59.4235 GPRESSAVG: 297400 57.1227 -30.0021 13.6175 -31.2181 7.81653 46.6805 14.7684 50.4235 -59.7277 TIMING: 297400 CPU: 859.103, 0.00288093/step Wall: 859.103, 0.00288093/step, 3.7633 hours remaining, 205.738281 MB of memory in use. ENERGY: 297400 776.5802 2033.1531 1955.9471 126.4745 -206754.6524 18232.7585 0.0000 0.0000 34314.0039 -149315.7351 299.6727 -183629.7390 -149219.2092 299.3920 232.9336 266.1828 554860.7122 1.7410 1.7372 PRESSURE: 297600 -221.684 -88.3044 80.1774 -88.3055 -43.5623 -6.13418 80.1787 -6.13376 265.424 GPRESSURE: 297600 -149.959 -122.798 8.21698 -70.379 -18.5062 -12.0133 89.5913 75.9817 259.967 PRESSAVG: 297600 25.8253 -86.5395 -33.4175 -86.5395 8.65267 22.7185 -33.4174 22.7184 -44.7381 GPRESSAVG: 297600 26.6959 -87.2672 -32.6746 -85.764 8.05441 22.4344 -33.6432 21.0562 -45.4178 TIMING: 297600 CPU: 859.673, 0.00285155/step Wall: 859.673, 0.00285155/step, 3.72475 hours remaining, 205.738281 MB of memory in use. ENERGY: 297600 733.1404 2105.6367 1935.5508 123.1361 -206590.0131 17847.8390 0.0000 0.0000 34415.2298 -149429.4803 300.5568 -183844.7101 -149335.5285 299.3492 0.0593 30.5004 556377.6190 -3.4200 -3.5558 PRESSURE: 297800 21.5719 -19.8299 -19.0716 -19.8314 -226.506 141.965 -19.0713 141.964 -314.993 GPRESSURE: 297800 7.20447 -78.7677 -57.0883 -14.1731 -137.419 185.047 31.4485 179.665 -310.146 PRESSAVG: 297800 10.623 -38.0899 -12.1244 -38.0899 9.29866 7.44262 -12.1243 7.44265 -26.786 GPRESSAVG: 297800 9.42188 -36.7456 -13.2739 -39.9671 9.66688 8.89548 -12.8528 8.07952 -25.9983 TIMING: 297800 CPU: 860.247, 0.00287131/step Wall: 860.247, 0.00287131/step, 3.75041 hours remaining, 205.738281 MB of memory in use. ENERGY: 297800 742.2996 2132.7628 1924.9567 116.7717 -206009.5944 17483.2177 0.0000 0.0000 34311.6624 -149297.9234 299.6523 -183609.5858 -149197.5202 299.1092 -173.3091 -146.7868 555735.2808 -2.2881 -2.3032 PRESSURE: 298000 40.5013 -22.2662 78.9087 -22.2675 -93.7641 -7.15961 78.9084 -7.1591 107.858 GPRESSURE: 298000 74.3049 34.8826 6.68568 -23.0699 -77.9302 -3.54593 110.422 53.0517 136.438 PRESSAVG: 298000 -46.5409 -20.9941 -3.11452 -20.9941 -32.5195 22.7638 -3.11458 22.7638 67.2532 GPRESSAVG: 298000 -44.3993 -21.612 -2.54369 -18.1909 -33.1007 20.5332 -2.56311 23.1377 65.9054 TIMING: 298000 CPU: 860.824, 0.00288324/step Wall: 860.824, 0.00288324/step, 3.76583 hours remaining, 205.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 298000 776.1149 2092.2854 1932.6963 114.2298 -206176.7654 17899.4314 0.0000 0.0000 34128.0858 -149233.9218 298.0491 -183362.0076 -149138.9432 299.5965 18.1983 44.2710 557425.0380 -3.9357 -3.8649 PRESSURE: 298200 5.32222 23.5581 102.789 23.5567 113.087 60.4615 102.789 60.462 42.1388 GPRESSURE: 298200 8.34853 -10.9967 137.205 -110.17 182.185 -19.7813 99.477 101.407 60.3631 PRESSAVG: 298200 22.5419 -45.7756 17.586 -45.7755 23.414 22.0317 17.586 22.0318 -27.4709 GPRESSAVG: 298200 21.0769 -45.6642 17.46 -46.6987 24.6553 22.897 18.2748 22.0482 -27.0571 TIMING: 298200 CPU: 861.407, 0.00291358/step Wall: 861.407, 0.00291358/step, 3.8053 hours remaining, 205.738281 MB of memory in use. ENERGY: 298200 762.2360 2155.3858 1942.6566 117.2188 -206474.8598 17983.2746 0.0000 0.0000 34471.2559 -149042.8321 301.0461 -183514.0880 -148947.1895 299.3033 53.5159 83.6322 556410.4750 6.1617 6.2250 PRESSURE: 298400 -46.4558 -95.0855 -233.803 -95.0858 -156.094 -54.4615 -233.803 -54.4623 -152.907 GPRESSURE: 298400 24.6594 -81.3643 -232.026 -113.367 -115.884 -120.648 -192.833 -2.81846 -170.557 PRESSAVG: 298400 11.8736 -36.9536 6.61701 -36.9537 -1.31432 -5.59138 6.617 -5.59148 24.4875 GPRESSAVG: 298400 12.9753 -38.944 5.44975 -35.8969 -2.52147 -5.19448 8.51915 -5.49593 24.8728 TIMING: 298400 CPU: 861.983, 0.00288069/step Wall: 861.983, 0.00288069/step, 3.76219 hours remaining, 205.738281 MB of memory in use. ENERGY: 298400 725.9988 2083.0407 1959.6021 116.9824 -206491.5677 17788.9862 0.0000 0.0000 34604.1756 -149212.7820 302.2069 -183816.9576 -149117.8916 300.3117 -118.4854 -87.2606 557293.9374 11.6822 11.7756 PRESSURE: 298600 -289.85 -83.746 -93.9354 -83.7471 240.691 -119.686 -93.9346 -119.685 -58.2621 GPRESSURE: 298600 -220.364 -154.913 -60.5747 -63.0716 234.349 -59.1154 -136.251 -71.3639 -23.3046 PRESSAVG: 298600 -44.0254 5.36773 -16.4172 5.36767 38.6846 18.0143 -16.4172 18.0142 -10.0263 GPRESSAVG: 298600 -45.0873 6.4566 -15.4124 3.28885 39.3171 17.0824 -18.8629 15.9406 -9.24575 TIMING: 298600 CPU: 862.563, 0.00290049/step Wall: 862.563, 0.00290049/step, 3.78788 hours remaining, 205.820312 MB of memory in use. ENERGY: 298600 720.7801 2079.8733 1955.8548 110.7737 -206263.1220 17786.9843 0.0000 0.0000 34404.6625 -149204.1933 300.4645 -183608.8559 -149102.8307 299.5597 -35.8072 -3.1067 558786.4990 -5.1224 -5.0053 PRESSURE: 298800 42.6347 -104.203 41.2631 -104.206 -163.514 -98.899 41.2623 -98.8985 -296.513 GPRESSURE: 298800 19.0644 -135.295 2.68707 -110.292 -141.885 -43.5843 111.064 -98.7092 -201.226 PRESSAVG: 298800 -32.9542 -2.72906 15.6198 -2.72912 0.229495 -23.0143 15.6198 -23.0144 12.4925 GPRESSAVG: 298800 -31.0444 -2.90878 15.2832 -0.833769 -1.09287 -23.3393 15.9171 -21.2724 12.2433 TIMING: 298800 CPU: 863.146, 0.00291351/step Wall: 863.146, 0.00291351/step, 3.80472 hours remaining, 205.820312 MB of memory in use. ENERGY: 298800 777.6183 2105.3489 1967.4183 114.8799 -206133.7357 17770.2616 0.0000 0.0000 34166.6826 -149231.5262 298.3861 -183398.2088 -149128.2260 298.9183 -139.1310 -108.0153 559070.9745 -6.7441 -6.6313 PRESSURE: 299000 39.935 -66.8128 -4.85517 -66.8119 38.525 -75.1312 -4.85398 -75.1338 117.084 GPRESSURE: 299000 61.7766 -111.449 7.72376 -61.8732 91.7451 -134.602 -27.7725 -62.1712 144.015 PRESSAVG: 299000 -50.3967 42.7092 -10.9632 42.7091 -4.96851 10.3956 -10.9632 10.3956 14.7505 GPRESSAVG: 299000 -51.7181 43.3174 -8.48119 43.0512 -3.33534 11.2597 -10.415 10.9225 14.2078 TIMING: 299000 CPU: 863.723, 0.00288501/step Wall: 863.723, 0.00288501/step, 3.76734 hours remaining, 205.820312 MB of memory in use. ENERGY: 299000 740.2573 2083.8500 1965.5824 102.3855 -206432.0949 18040.6293 0.0000 0.0000 34262.2173 -149237.1731 299.2205 -183499.3903 -149139.6850 299.3099 65.1814 99.1789 557298.1622 -13.5383 -13.6152 PRESSURE: 299200 -120.535 -111.295 -2.30954 -111.294 -23.8528 100.19 -2.31101 100.19 -198.083 GPRESSURE: 299200 -118.487 -51.5664 -46.0601 -225.279 6.86981 153.719 61.9217 29.8187 -128.054 PRESSAVG: 299200 -17.7338 55.716 -5.39885 55.7159 -68.7514 6.53035 -5.39879 6.53045 61.7693 GPRESSAVG: 299200 -17.9506 56.7313 -7.96246 54.7204 -69.1407 5.60496 -5.53331 5.82629 62.0604 TIMING: 299200 CPU: 864.3, 0.00288405/step Wall: 864.3, 0.00288405/step, 3.76593 hours remaining, 205.820312 MB of memory in use. ENERGY: 299200 727.7390 2106.0252 1950.6668 118.9750 -205971.2570 17544.6649 0.0000 0.0000 34209.0924 -149314.0938 298.7565 -183523.1862 -149212.4879 298.9427 -114.1572 -79.8905 556615.6450 -8.2387 -8.3437 PRESSURE: 299400 -177.685 -78.0299 190.312 -78.0313 -180.031 -183.742 190.31 -183.74 -31.4162 GPRESSURE: 299400 -89.2311 -69.1202 174.841 -150.079 -187.011 -177.097 228.688 -174.789 -16.6975 PRESSAVG: 299400 -4.5539 -22.8964 31.7264 -22.8964 -58.5829 15.94 31.7264 15.94 72.7858 GPRESSAVG: 299400 -3.78382 -21.6869 32.3177 -23.7794 -59.2511 18.8554 31.2078 14.0454 72.9231 TIMING: 299400 CPU: 864.872, 0.00286422/step Wall: 864.872, 0.00286422/step, 3.73988 hours remaining, 205.820312 MB of memory in use. ENERGY: 299400 741.9722 2076.0964 1947.0849 97.1886 -205762.1170 17377.9907 0.0000 0.0000 34122.1155 -149399.6687 297.9969 -183521.7841 -149299.3478 299.1017 -129.7107 -97.6466 556722.8297 3.2164 3.2960 PRESSURE: 299600 -132.945 158.794 -78.9976 158.793 -66.962 37.725 -78.9969 37.7246 -277.509 GPRESSURE: 299600 -113.432 147.543 -10.1415 32.6887 -65.4007 -1.87828 -80.0959 30.6169 -194.006 PRESSAVG: 299600 -62.2168 -17.6922 -10.1078 -17.6922 38.5425 -21.712 -10.1078 -21.712 28.0782 GPRESSAVG: 299600 -61.573 -19.3221 -10.4357 -18.3222 37.9346 -23.8801 -7.62118 -22.2133 28.1943 TIMING: 299600 CPU: 865.444, 0.00285953/step Wall: 865.444, 0.00285953/step, 3.7336 hours remaining, 205.820312 MB of memory in use. ENERGY: 299600 772.7575 2050.6529 1920.6334 114.9463 -206462.7201 17829.2978 0.0000 0.0000 34430.4890 -149343.9433 300.6900 -183774.4323 -149251.6182 299.0214 -159.1388 -124.2797 556923.2426 1.4680 1.5186 PRESSURE: 299800 165.309 64.4468 165.556 64.4468 126.495 -52.3987 165.556 -52.3998 119.206 GPRESSURE: 299800 193.04 90.1988 120.944 59.1818 197.925 41.6928 140.998 -38.3129 122.448 PRESSAVG: 299800 -8.99705 47.3204 15.9059 47.3205 -1.00696 13.6445 15.906 13.6445 9.20718 GPRESSAVG: 299800 -9.86241 49.0857 17.3946 47.1144 0.922553 16.2959 13.4113 14.3372 7.88949 TIMING: 299800 CPU: 866.022, 0.00288644/step Wall: 866.022, 0.00288644/step, 3.76857 hours remaining, 205.820312 MB of memory in use. ENERGY: 299800 787.9676 2065.0498 1921.7635 117.1135 -206398.2887 18173.0193 0.0000 0.0000 33964.6927 -149368.6822 296.6221 -183333.3749 -149262.8801 299.2911 137.0032 171.1378 556890.3771 -0.2656 -0.3501 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.010 seconds, 205.820 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.004 seconds, 205.945 MB of memory in use PRESSURE: 300000 250.936 54.3209 116.747 54.3213 19.451 27.0199 116.747 27.0199 200.391 GPRESSURE: 300000 258.347 25.3529 54.4603 59.058 52.3177 88.9381 189.735 -67.8889 244.832 PRESSAVG: 300000 75.9739 43.9048 4.12052 43.9049 -5.77572 -10.7128 4.12059 -10.7129 -9.6583 GPRESSAVG: 300000 75.3512 41.8968 2.28665 46.3019 -6.18913 -13.6508 7.31573 -9.75913 -8.36742 TIMING: 300000 CPU: 866.618, 0.0029808/step Wall: 866.618, 0.0029808/step, 3.8916 hours remaining, 205.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 300000 710.6486 2132.6173 1939.3454 111.5247 -206464.6507 17917.1947 0.0000 0.0000 34315.3725 -149337.9476 299.6847 -183653.3201 -149245.8492 299.0116 156.9259 185.1656 555345.1109 20.1799 20.2649 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 PRESSURE: 300200 -105.093 8.98096 68.9935 8.98098 -73.0566 42.829 68.9944 42.8284 -84.0252 GPRESSURE: 300200 -67.785 -27.8069 71.863 29.817 -9.78963 54.2821 77.6081 81.6838 -93.4132 PRESSAVG: 300200 -26.1156 29.2832 44.8523 29.2832 69.3868 15.9411 44.8522 15.9409 -0.331541 GPRESSAVG: 300200 -25.6434 28.3614 44.363 30.0939 69.3106 15.4047 44.0525 16.0935 0.0809478 TIMING: 300200 CPU: 867.199, 0.00290444/step Wall: 867.199, 0.00290444/step, 3.79175 hours remaining, 205.945312 MB of memory in use. ENERGY: 300200 728.3977 2053.5301 1940.2209 113.6671 -206613.3014 17884.3328 0.0000 0.0000 34382.9592 -149510.1935 300.2749 -183893.1527 -149416.7604 299.1890 -87.3916 -56.9960 556711.4405 14.3132 14.5827 LDB: ============= START OF LOAD BALANCING ============== 870.584 LDB: ============== END OF LOAD BALANCING =============== 870.584 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 870.585 LDB: ============= START OF LOAD BALANCING ============== 870.874 LDB: Largest compute 4822 load 0.024492 is 20.8% of average load 0.117810 LDB: Average compute 0.001715 is 1.5% of average load 0.117810 LDB: TIME 870.876 LOAD: AVG 0.11781 MAX 0.179438 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.5 MB LDB: TIME 870.877 LOAD: AVG 0.11781 MAX 0.179438 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 870.877 LOAD: AVG 0.11781 MAX 0.179438 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 870.879 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 870.883 PRESSURE: 300400 -161.831 37.2259 122.587 37.2265 45.7483 170.02 122.588 170.018 363.841 GPRESSURE: 300400 -76.7773 8.21657 183.443 20.9099 111.606 121.24 93.4761 192.737 321.69 PRESSAVG: 300400 3.7885 2.86813 -19.4282 2.86809 23.5715 57.6485 -19.4282 57.6484 10.4755 GPRESSAVG: 300400 4.20538 6.04663 -18.7458 0.458622 23.8692 60.0715 -18.3523 55.6518 10.1504 TIMING: 300400 CPU: 867.787, 0.00294098/step Wall: 867.787, 0.00294099/step, 3.83929 hours remaining, 207.417969 MB of memory in use. ENERGY: 300400 740.0705 2088.3858 1943.9584 128.5271 -206323.3525 17822.2994 0.0000 0.0000 34185.1366 -149414.9745 298.5473 -183600.1111 -149312.9187 299.1287 82.5862 118.8393 556461.3510 12.6118 12.7417 PRESSURE: 300600 -57.6045 153.2 66.1765 153.201 61.9727 -84.0142 66.1763 -84.0142 97.995 GPRESSURE: 300600 -10.4425 176.49 3.60917 223.942 50.0637 -212.698 114.039 -18.299 153.802 PRESSAVG: 300600 13.3453 9.88005 42.7564 9.88 -30.1768 81.0865 42.7564 81.0865 34.5758 GPRESSAVG: 300600 13.5081 8.5962 42.6525 10.3719 -29.8011 81.2418 40.4679 81.3617 33.7856 TIMING: 300600 CPU: 868.367, 0.00290184/step Wall: 868.367, 0.00290184/step, 3.78803 hours remaining, 207.621094 MB of memory in use. ENERGY: 300600 724.5955 2082.9794 1939.9974 107.8851 -205961.5261 17760.0062 0.0000 0.0000 33880.1597 -149465.9028 295.8839 -183346.0625 -149363.8027 298.7268 34.1211 64.4745 556761.6802 5.9148 5.8309 PRESSURE: 300800 49.4326 9.83851 33.2425 9.83806 137.543 119.07 33.2441 119.069 182.083 GPRESSURE: 300800 119.389 -56.3796 39.8509 -10.4277 178.665 143.543 55.1074 73.7043 167.061 PRESSAVG: 300800 31.2934 -14.1853 1.52755 -14.1853 -36.1603 22.4463 1.52754 22.4463 23.8441 GPRESSAVG: 300800 30.8723 -15.1068 1.08017 -15.9554 -36.7924 18.6064 2.41989 23.271 24.8584 TIMING: 300800 CPU: 868.941, 0.00286784/step Wall: 868.941, 0.00286784/step, 3.74349 hours remaining, 207.621094 MB of memory in use. ENERGY: 300800 740.1694 2077.9288 1922.2686 115.2604 -206544.1299 17992.7204 0.0000 0.0000 34284.2061 -149411.5762 299.4125 -183695.7823 -149317.2768 298.2760 123.0195 155.0384 555029.0948 6.3257 6.3127 PRESSURE: 301000 274.7 -8.27576 118.145 -8.27565 231.566 -15.4903 118.145 -15.4881 227.775 GPRESSURE: 301000 295.533 -49.8574 62.5103 12.5954 311.203 -57.6771 35.5545 -38.741 218.272 PRESSAVG: 301000 45.2171 15.7875 45.7839 15.7876 -1.81412 -42.2332 45.7839 -42.2331 -11.1679 GPRESSAVG: 301000 43.8269 18.9101 47.8893 16.7295 -1.192 -38.8892 44.008 -43.0125 -10.8257 TIMING: 301000 CPU: 869.517, 0.00287878/step Wall: 869.517, 0.00287878/step, 3.75761 hours remaining, 207.824219 MB of memory in use. ENERGY: 301000 710.4405 2139.3542 1909.9345 106.4580 -206441.2651 18032.0620 0.0000 0.0000 34145.6247 -149397.3911 298.2022 -183543.0158 -149299.9261 299.1089 244.6802 275.0026 554035.0162 10.7450 10.6030 PRESSURE: 301200 229.949 -73.7198 7.75225 -73.7196 -41.4917 33.91 7.75245 33.9107 92.2388 GPRESSURE: 301200 188.054 -94.7702 86.5564 -53.8292 -17.3158 96.9844 -72.711 45.2098 215.389 PRESSAVG: 301200 27.715 -7.6914 38.0544 -7.69141 -39.9629 -9.67952 38.0544 -9.67953 37.8936 GPRESSAVG: 301200 28.3897 -10.8964 37.4379 -6.01528 -39.7394 -10.3648 42.1126 -8.13269 36.6367 TIMING: 301200 CPU: 870.092, 0.0028791/step Wall: 870.092, 0.0028791/step, 3.75787 hours remaining, 207.824219 MB of memory in use. ENERGY: 301200 749.7031 2123.9150 1933.4557 105.1011 -206579.5217 17973.9843 0.0000 0.0000 34264.9512 -149428.4112 299.2443 -183693.3624 -149334.6015 299.3254 93.5653 128.7090 556870.6166 8.5485 8.4290 PRESSURE: 301400 115.38 -102.005 -44.1455 -102.004 142.219 -129.299 -44.1442 -129.299 23.7661 GPRESSURE: 301400 159.994 -90.7178 31.5523 -118.365 115.629 -85.164 -129.889 -26.4009 112.522 PRESSAVG: 301400 -50.2403 -9.70664 9.08641 -9.70664 -11.3045 12.0618 9.08641 12.0618 41.2 GPRESSAVG: 301400 -50.0074 -9.43068 8.69411 -11.4721 -12.6365 10.2319 6.93271 12.4082 42.4798 TIMING: 301400 CPU: 870.665, 0.00286277/step Wall: 870.665, 0.00286277/step, 3.73639 hours remaining, 207.824219 MB of memory in use. ENERGY: 301400 742.5033 2136.0998 1927.4820 123.2080 -206154.1382 17823.7371 0.0000 0.0000 34240.8777 -149160.2302 299.0341 -183401.1079 -149059.6706 299.1587 93.7881 129.3817 557386.0758 -6.7816 -6.7214 PRESSURE: 301600 33.9658 -76.3862 77.922 -76.3872 -177.191 -134.563 77.9224 -134.563 170.819 GPRESSURE: 301600 51.5022 -106.424 72.0024 -64.7793 -132.395 -122.848 136.786 -160.892 211.62 PRESSAVG: 301600 -37.7878 -15.0258 -0.700421 -15.0257 30.6862 -20.209 -0.700478 -20.209 43.2048 GPRESSAVG: 301600 -37.2817 -14.3793 -0.838846 -13.1482 31.8958 -18.769 -0.794061 -22.1551 41.4024 TIMING: 301600 CPU: 871.239, 0.00286809/step Wall: 871.239, 0.00286809/step, 3.74318 hours remaining, 207.824219 MB of memory in use. ENERGY: 301600 739.9867 2032.6346 1959.7160 121.4870 -206200.6660 17859.6358 0.0000 0.0000 34248.3023 -149238.9036 299.0989 -183487.2058 -149139.4891 299.7259 9.1981 43.5757 557081.3710 12.0344 12.0055 PRESSURE: 301800 -111.264 -68.2167 -28.5189 -68.2163 -319.577 151.952 -28.5178 151.954 123.719 GPRESSURE: 301800 -57.693 -42.6354 -47.7127 -121.067 -315.761 170.683 -130.808 55.8309 159.248 PRESSAVG: 301800 11.2063 -9.60495 24.5404 -9.60489 -18.3185 6.5177 24.5403 6.51768 30.4619 GPRESSAVG: 301800 12.3146 -11.242 25.4754 -10.0723 -19.3139 4.5178 23.1359 8.6027 29.7238 TIMING: 301800 CPU: 871.814, 0.00287652/step Wall: 871.814, 0.00287652/step, 3.75401 hours remaining, 207.824219 MB of memory in use. ENERGY: 301800 744.5987 2092.7625 1918.2990 113.0929 -206265.5193 17672.6691 0.0000 0.0000 34378.4819 -149345.6152 300.2358 -183724.0971 -149256.8611 299.0732 -102.3737 -71.4018 556989.7725 7.7832 7.5749 PRESSURE: 302000 107.313 11.4715 169.931 11.4713 -38.0634 109.776 169.931 109.777 -21.3811 GPRESSURE: 302000 96.273 -100.946 146.032 91.9186 46.4835 109.748 193.002 156.641 -2.95412 PRESSAVG: 302000 1.07824 2.35059 32.7729 2.35066 -57.1618 -10.3146 32.7728 -10.3146 32.5869 GPRESSAVG: 302000 -0.246064 3.38366 33.8391 3.06336 -56.1159 -8.85903 33.433 -9.69171 33.2293 TIMING: 302000 CPU: 872.389, 0.00287693/step Wall: 872.389, 0.00287693/step, 3.7544 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 302000 718.7453 2055.5362 1904.0999 121.3469 -206199.4011 17805.7966 0.0000 0.0000 34260.2219 -149333.6543 299.2030 -183593.8762 -149232.5804 299.1584 15.9562 46.6008 557229.6304 -7.8322 -7.7109 PRESSURE: 302200 -92.5367 156.448 0.222197 156.448 -154.195 -97.5849 0.222258 -97.5836 16.018 GPRESSURE: 302200 -57.1783 113.107 -26.6766 189.665 -117.997 -89.6508 49.3426 -138.464 45.6429 PRESSAVG: 302200 37.769 -44.2303 -0.454069 -44.2302 -64.2601 4.76497 -0.45406 4.76494 40.4134 GPRESSAVG: 302200 38.9475 -43.6368 -1.04858 -44.3395 -66.0027 6.3768 -0.881893 2.0026 40.5207 TIMING: 302200 CPU: 872.966, 0.002882/step Wall: 872.966, 0.002882/step, 3.76086 hours remaining, 207.824219 MB of memory in use. ENERGY: 302200 729.9316 2141.6559 1918.7504 109.7523 -205889.6151 17665.6245 0.0000 0.0000 34264.2499 -149059.6505 299.2382 -183323.9004 -148971.9706 299.3134 -76.9044 -43.1773 558658.0577 4.6408 4.4885 PRESSURE: 302400 -18.3007 -67.4874 -23.5554 -67.4873 -191.298 -8.75887 -23.5548 -8.75875 -89.8329 GPRESSURE: 302400 8.81967 -115.943 -5.49281 -43.8459 -126.495 19.532 41.5285 -21.5279 -78.1617 PRESSAVG: 302400 -83.8904 14.8223 -5.94033 14.8224 30.4267 -22.7163 -5.94033 -22.7163 48.6211 GPRESSAVG: 302400 -85.3853 15.5651 -8.68647 13.8957 31.271 -24.5167 -4.38248 -20.4423 49.3927 TIMING: 302400 CPU: 873.538, 0.00286228/step Wall: 873.538, 0.00286228/step, 3.73496 hours remaining, 207.824219 MB of memory in use. ENERGY: 302400 733.4787 2080.6538 1964.3684 127.0319 -205680.9582 17507.9540 0.0000 0.0000 34266.0439 -149001.4275 299.2539 -183267.4713 -148898.2651 299.2873 -99.8105 -65.2789 558353.0195 -1.6142 -1.5739 PRESSURE: 302600 -254.262 39.4982 -100.252 39.4974 -9.9107 -19.536 -100.251 -19.537 125.447 GPRESSURE: 302600 -202.657 64.397 -118.009 37.535 34.4435 -22.725 -108.239 47.6456 123.464 PRESSAVG: 302600 -66.7003 16.9777 -18.095 16.9777 -0.453515 3.65428 -18.0949 3.65426 91.2145 GPRESSAVG: 302600 -66.4443 15.4599 -16.3564 17.1215 -1.0215 3.07568 -18.5635 4.21799 90.9305 TIMING: 302600 CPU: 874.11, 0.00285852/step Wall: 874.11, 0.00285852/step, 3.7299 hours remaining, 207.824219 MB of memory in use. ENERGY: 302600 752.9781 2097.3474 1938.1636 106.3882 -205800.5584 17674.6676 0.0000 0.0000 34121.0956 -149109.9179 297.9880 -183231.0135 -149014.8386 299.7906 -46.2422 -14.9166 558417.7122 8.0202 7.8216 PRESSURE: 302800 171.245 33.1862 216.373 33.1856 128.786 -125.308 216.374 -125.308 186.278 GPRESSURE: 302800 218.354 73.1537 201.89 -8.02547 197.222 -44.344 174.985 -93.4053 155.016 PRESSAVG: 302800 -57.6264 23.6024 -26.3941 23.6023 68.9715 14.7033 -26.3941 14.7034 -40.401 GPRESSAVG: 302800 -58.3966 27.6296 -27.9312 23.2976 68.8332 15.348 -26.2282 14.7088 -39.6742 TIMING: 302800 CPU: 874.684, 0.00287166/step Wall: 874.684, 0.00287166/step, 3.74688 hours remaining, 207.824219 MB of memory in use. ENERGY: 302800 764.9275 2078.3019 1913.1218 103.3374 -206461.9404 18144.1717 0.0000 0.0000 34076.5508 -149381.5293 297.5990 -183458.0801 -149287.5779 298.6791 162.1032 190.1972 557255.1895 -9.6853 -9.7459 PRESSURE: 303000 -169.558 8.47612 175.885 8.47536 7.0171 41.0632 175.885 41.0654 140.826 GPRESSURE: 303000 -151.593 -62.314 121.51 29.8084 37.9983 60.9007 168.62 35.2055 187.317 PRESSAVG: 303000 6.77737 31.0912 -17.7746 31.0912 6.18104 -30.7854 -17.7745 -30.7854 19.4461 GPRESSAVG: 303000 5.94114 28.7475 -16.9663 29.7611 7.55118 -29.7467 -17.4252 -32.9187 19.3252 TIMING: 303000 CPU: 875.258, 0.00286968/step Wall: 875.258, 0.00286968/step, 3.74414 hours remaining, 207.824219 MB of memory in use. ENERGY: 303000 736.5282 2051.9791 1922.5371 116.5617 -206332.7658 17801.2132 0.0000 0.0000 34194.2630 -149509.6835 298.6270 -183703.9465 -149408.5930 297.3299 -7.2386 24.5740 557419.7475 10.8015 10.9392 PRESSURE: 303200 -276.913 -6.45365 97.8678 -6.45295 129.925 6.63082 97.8684 6.63142 30.3041 GPRESSURE: 303200 -225.414 -5.81874 104.307 -20.971 143.376 -55.8195 35.7226 38.4545 53.5232 PRESSAVG: 303200 3.45332 -22.0737 10.3905 -22.0736 35.4092 4.09552 10.3905 4.0955 -8.2566 GPRESSAVG: 303200 4.31089 -22.9541 13.2606 -19.6249 34.9204 2.42369 8.71689 5.47752 -8.85732 TIMING: 303200 CPU: 875.83, 0.00286178/step Wall: 875.83, 0.00286178/step, 3.73367 hours remaining, 207.824219 MB of memory in use. ENERGY: 303200 751.6037 2091.9993 1928.1204 119.0039 -206295.2827 17804.5036 0.0000 0.0000 34239.1175 -149360.9342 299.0187 -183600.0518 -149269.3837 298.2320 -38.8946 -9.5047 558036.1823 10.2020 10.1247 PRESSURE: 303400 -9.49058 4.4935 -121.797 4.49433 87.9873 -124.174 -121.797 -124.175 4.52714 GPRESSURE: 303400 21.8064 65.4533 -136.19 20.2023 113.044 -161.21 -113.343 -96.5689 53.3592 PRESSAVG: 303400 -105.587 5.92271 -26.6295 5.92265 47.8287 -13.3455 -26.6296 -13.3454 8.96993 GPRESSAVG: 303400 -105.157 6.67115 -27.7472 6.15406 46.9887 -12.3313 -25.4673 -14.181 9.6517 TIMING: 303400 CPU: 876.406, 0.00287745/step Wall: 876.406, 0.00287745/step, 3.75395 hours remaining, 207.824219 MB of memory in use. ENERGY: 303400 776.3431 2124.0226 1920.5841 121.6872 -206396.4779 17976.9486 0.0000 0.0000 34015.2304 -149461.6618 297.0635 -183476.8922 -149369.0821 298.6567 27.6746 62.7366 555522.4594 -16.2628 -16.1721 PRESSURE: 303600 -11.5942 100.011 48.4886 100.011 71.2488 -157.073 48.4877 -157.074 61.0993 GPRESSURE: 303600 51.9678 105.475 53.0053 150.395 93.8134 -101.218 79.9835 -124.96 76.3124 PRESSAVG: 303600 11.3903 29.1697 6.54868 29.1697 5.48094 49.1136 6.54877 49.1136 19.6078 GPRESSAVG: 303600 12.2053 28.9434 6.95875 26.82 5.28728 49.2406 7.66312 49.4312 18.5082 TIMING: 303600 CPU: 876.982, 0.00287994/step Wall: 876.982, 0.00287994/step, 3.75705 hours remaining, 207.824219 MB of memory in use. ENERGY: 303600 734.8186 2104.1188 1928.3510 125.0481 -206168.5199 17790.7535 0.0000 0.0000 34075.5004 -149409.9295 297.5898 -183485.4299 -149317.5992 299.0186 40.2513 74.0312 557219.3077 12.1597 12.0003 PRESSURE: 303800 253.897 -144.394 43.7752 -144.394 333.021 8.57424 43.7764 8.57497 -98.8277 GPRESSURE: 303800 201.727 -97.3778 50.3793 -73.3079 372.535 -35.2606 88.9496 1.18476 9.86871 PRESSAVG: 303800 -44.938 -52.269 29.7317 -52.269 49.3967 6.3393 29.7317 6.3393 8.66703 GPRESSAVG: 303800 -46.3472 -50.6576 28.4248 -52.067 50.7116 6.68467 28.5346 5.32609 8.78339 TIMING: 303800 CPU: 877.558, 0.00288274/step Wall: 877.558, 0.00288274/step, 3.76054 hours remaining, 207.824219 MB of memory in use. ENERGY: 303800 704.1312 2117.2487 1934.0725 113.7831 -206549.4482 18106.5300 0.0000 0.0000 34328.3012 -149245.3815 299.7976 -183573.6827 -149155.2344 298.7528 162.6970 194.7102 558639.7295 4.3753 4.3826 PRESSURE: 304000 -112.396 -9.52085 62.0074 -9.52183 -32.7894 -83.4921 62.007 -83.492 -134.327 GPRESSURE: 304000 -30.1152 20.7562 80.6456 -32.9993 -16.3282 -89.6702 4.09839 -25.4959 -131.657 PRESSAVG: 304000 59.9002 -10.7341 -11.7047 -10.7341 -13.3427 21.4668 -11.7048 21.4669 -29.5976 GPRESSAVG: 304000 60.5434 -11.8216 -9.99396 -9.12105 -13.6817 22.2702 -12.3464 20.018 -29.7035 TIMING: 304000 CPU: 878.131, 0.0028615/step Wall: 878.131, 0.0028615/step, 3.73267 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 304000 730.3995 2096.2289 1931.1661 111.2487 -206270.8111 17767.8834 0.0000 0.0000 34352.1924 -149281.6920 300.0062 -183633.8844 -149185.6875 299.5265 -93.1710 -59.3669 558656.8742 5.6533 5.7194 PRESSURE: 304200 323.886 -70.3594 58.5033 -70.36 144.896 -173.792 58.5031 -173.793 104.264 GPRESSURE: 304200 355.04 -76.3223 109.507 -5.23468 199.141 -189.904 111.177 -176.845 117.74 PRESSAVG: 304200 106.961 -30.8622 3.93459 -30.8622 -47.1586 -18.1314 3.93461 -18.1315 -14.6912 GPRESSAVG: 304200 107.773 -30.1625 0.584134 -31.4856 -48.6522 -18.9675 5.58863 -16.044 -14.3394 TIMING: 304200 CPU: 878.705, 0.00287377/step Wall: 878.705, 0.00287377/step, 3.74851 hours remaining, 207.824219 MB of memory in use. ENERGY: 304200 749.7734 2109.8354 1914.2944 98.0700 -206316.3408 18061.5691 0.0000 0.0000 34119.1702 -149263.6284 297.9712 -183382.7986 -149169.3261 299.6711 191.0154 223.9740 558911.2283 15.0370 14.9272 LDB: ============= START OF LOAD BALANCING ============== 882.089 LDB: ============== END OF LOAD BALANCING =============== 882.089 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 882.091 LDB: ============= START OF LOAD BALANCING ============== 882.379 LDB: Largest compute 4822 load 0.023938 is 20.3% of average load 0.117880 LDB: Average compute 0.001708 is 1.4% of average load 0.117880 LDB: TIME 882.382 LOAD: AVG 0.11788 MAX 0.178246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.297 MB LDB: TIME 882.382 LOAD: AVG 0.11788 MAX 0.178246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.5 MB LDB: TIME 882.383 LOAD: AVG 0.11788 MAX 0.178246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.5 MB LDB: ============== END OF LOAD BALANCING =============== 882.385 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 882.389 PRESSURE: 304400 -169.799 50.2599 -18.308 50.2596 -462.614 -1.90199 -18.3077 -1.9018 -408.474 GPRESSURE: 304400 -102.734 28.2247 62.0586 114.424 -395.203 -24.7915 -89.1265 -18.1294 -452.88 PRESSAVG: 304400 83.8036 -5.33124 -8.07747 -5.33124 -14.7946 -6.57759 -8.07745 -6.57752 -23.803 GPRESSAVG: 304400 83.4118 -5.81252 -6.02276 -4.44255 -13.6195 -6.509 -8.55879 -7.72948 -24.5613 TIMING: 304400 CPU: 879.293, 0.00293974/step Wall: 879.293, 0.00293974/step, 3.83441 hours remaining, 205.554688 MB of memory in use. ENERGY: 304400 766.3854 2105.3252 1949.0627 100.6814 -205795.9827 17420.2094 0.0000 0.0000 34203.5460 -149250.7726 298.7081 -183454.3186 -149155.6168 298.6231 -346.9623 -316.9392 558865.2029 15.0687 15.0770 PRESSURE: 304600 374.429 -47.0453 -133.658 -47.0465 117.038 -39.477 -133.658 -39.4779 138.953 GPRESSURE: 304600 371.747 -11.5467 -134.552 6.61463 167.56 -32.3366 -174.44 -33.7245 179.171 PRESSAVG: 304600 36.4402 40.1961 -19.5221 40.1961 -38.2572 -56.9259 -19.5221 -56.9258 -12.5732 GPRESSAVG: 304600 35.1261 41.8286 -19.5311 38.4433 -37.8052 -55.1727 -19.2213 -57.286 -11.644 TIMING: 304600 CPU: 879.866, 0.00286387/step Wall: 879.866, 0.00286387/step, 3.73528 hours remaining, 205.554688 MB of memory in use. ENERGY: 304600 750.1053 2121.1002 1948.4713 105.9563 -206855.2845 18330.1886 0.0000 0.0000 34335.0053 -149264.4575 299.8561 -183599.4628 -149172.3825 299.3092 210.1402 239.4929 557770.8171 -4.7968 -4.7744 PRESSURE: 304800 -114.352 26.9795 -97.9613 26.9791 -311.98 -207.712 -97.9601 -207.713 -144.694 GPRESSURE: 304800 -71.2055 28.5455 -112.894 37.0637 -283.208 -224.48 5.09997 -161.763 -102.94 PRESSAVG: 304800 -12.5145 -23.548 -1.89482 -23.548 15.3617 -20.0395 -1.89481 -20.0395 3.45238 GPRESSAVG: 304800 -11.6471 -24.577 -1.15152 -23.9913 14.3492 -23.2661 -2.50921 -20.0223 3.98496 TIMING: 304800 CPU: 880.44, 0.00286908/step Wall: 880.44, 0.00286908/step, 3.74192 hours remaining, 205.554688 MB of memory in use. ENERGY: 304800 766.3883 2100.4121 1978.5914 125.8716 -206323.3756 17571.2927 0.0000 0.0000 34408.7267 -149372.0928 300.5000 -183780.8195 -149275.4217 299.1733 -190.3419 -152.4511 559099.2801 2.0998 2.2290 PRESSURE: 305000 132.837 107.563 169.617 107.563 152.799 -67.8979 169.617 -67.8974 56.3993 GPRESSURE: 305000 181.467 181.443 183.907 115.384 188.847 -76.1931 112.681 34.1072 71.8587 PRESSAVG: 305000 -39.4971 -26.153 54.7842 -26.1531 10.5635 -56.0188 54.7842 -56.0188 -1.31752 GPRESSAVG: 305000 -38.0928 -25.2812 53.5059 -27.5969 9.84555 -55.3499 55.5801 -55.5671 -2.13731 TIMING: 305000 CPU: 881.018, 0.00288998/step Wall: 881.018, 0.00288998/step, 3.76902 hours remaining, 205.554688 MB of memory in use. ENERGY: 305000 743.5485 2125.6373 1922.3150 111.7777 -206821.3748 18011.5259 0.0000 0.0000 34318.9940 -149587.5764 299.7163 -183906.5704 -149486.8297 298.9302 114.0119 147.3909 556215.1395 -10.0837 -10.1282 PRESSURE: 305200 -11.1703 -8.29224 -79.685 -8.29222 -179.781 -34.5601 -79.6831 -34.5596 55.7773 GPRESSURE: 305200 9.99738 15.9245 -3.67353 28.8752 -142.024 -25.5518 -97.8706 -98.7683 84.7542 PRESSAVG: 305200 -0.576179 6.06274 29.6497 6.06261 35.2474 39.9673 29.6497 39.9672 -28.3355 GPRESSAVG: 305200 -2.48659 7.14212 29.7133 7.38369 36.9472 42.7103 27.9914 38.1293 -27.8713 TIMING: 305200 CPU: 881.595, 0.00288255/step Wall: 881.595, 0.00288255/step, 3.75916 hours remaining, 205.554688 MB of memory in use. ENERGY: 305200 726.5380 2089.5208 1956.3538 111.1169 -206239.4829 17708.6118 0.0000 0.0000 34104.4130 -149542.9285 297.8423 -183647.3415 -149445.4410 298.2309 -45.0581 -15.7574 556840.6730 2.1119 2.1964 PRESSURE: 305400 109.116 137.876 -16.3524 137.877 53.6346 36.5263 -16.3529 36.5263 64.9609 GPRESSURE: 305400 119.487 10.4486 -54.2793 176.012 112.936 46.976 1.54116 -32.5331 88.2479 PRESSAVG: 305400 -4.79099 -15.2297 36.1867 -15.2297 32.7071 -70.7679 36.1867 -70.7679 20.6667 GPRESSAVG: 305400 -4.40661 -17.4147 37.0287 -15.1582 31.8285 -72.8205 37.6045 -68.6512 21.1749 TIMING: 305400 CPU: 882.175, 0.0029027/step Wall: 882.175, 0.0029027/step, 3.78529 hours remaining, 205.554688 MB of memory in use. ENERGY: 305400 723.1692 2081.3234 1919.7167 108.7835 -206478.9169 17893.7088 0.0000 0.0000 34220.2351 -149531.9803 298.8538 -183752.2154 -149430.6205 298.0307 75.9040 106.8903 556163.3724 16.1943 16.1989 PRESSURE: 305600 -34.8049 178.358 -37.2255 178.356 -152.053 36.5283 -37.2257 36.5284 -162.616 GPRESSURE: 305600 2.54476 134.759 -7.79542 136.168 -93.6857 58.6193 -63.7085 15.3618 -166.478 PRESSAVG: 305600 19.8398 -17.6889 -46.0434 -17.6889 -35.5927 -13.0405 -46.0434 -13.0405 -7.29634 GPRESSAVG: 305600 20.0385 -18.405 -45.2528 -16.5448 -36.1049 -12.6136 -47.9919 -13.8483 -7.22628 TIMING: 305600 CPU: 882.754, 0.00289593/step Wall: 882.754, 0.00289593/step, 3.77629 hours remaining, 205.554688 MB of memory in use. ENERGY: 305600 742.5273 2062.4754 1921.2969 115.6205 -205958.4958 17581.7733 0.0000 0.0000 33980.8091 -149553.9932 296.7629 -183534.8023 -149457.6038 297.9978 -116.4913 -85.8730 557592.7284 -7.6831 -7.7642 PRESSURE: 305800 136.967 103.917 -86.0077 103.919 265.2 102.632 -86.0067 102.634 -179.569 GPRESSURE: 305800 195.153 136.949 -185.065 110.679 250.079 178.003 -28.813 98.8159 -137.475 PRESSAVG: 305800 40.9795 -51.6811 35.1604 -51.681 16.2585 -39.9371 35.1603 -39.9372 -48.073 GPRESSAVG: 305800 41.448 -51.3633 33.9538 -53.208 16.878 -38.2072 35.9528 -39.3455 -49.0256 TIMING: 305800 CPU: 883.326, 0.00286101/step Wall: 883.326, 0.00286101/step, 3.7306 hours remaining, 205.554688 MB of memory in use. ENERGY: 305800 796.6046 2124.7757 1954.5747 112.9993 -206775.6291 17997.6859 0.0000 0.0000 34395.9290 -149393.0599 300.3882 -183788.9889 -149292.4933 298.6440 74.1994 102.5858 556471.6952 3.0550 3.1002 PRESSURE: 306000 145.042 98.3461 -10.3215 98.3453 95.6899 45.6024 -10.3215 45.6022 355.015 GPRESSURE: 306000 120.708 11.8609 -34.487 159.592 186.251 14.136 62.9034 57.2652 378.333 PRESSAVG: 306000 -3.9629 14.9901 -24.3006 14.9901 13.1585 79.1385 -24.3006 79.1387 -19.278 GPRESSAVG: 306000 -5.06191 15.5112 -24.0905 14.3979 13.3005 77.0329 -25.1179 79.8014 -18.5868 TIMING: 306000 CPU: 883.9, 0.00286764/step Wall: 883.9, 0.00286764/step, 3.73908 hours remaining, 205.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 306000 747.4094 2059.6409 1950.5460 104.3004 -206459.8743 18127.2412 0.0000 0.0000 34190.7690 -149279.9674 298.5965 -183470.7364 -149184.9922 299.0136 198.5823 228.4308 556272.4308 -3.3608 -3.4494 PRESSURE: 306200 -246.423 -61.6256 180.339 -61.6245 -193.628 -124.062 180.339 -124.062 -242.691 GPRESSURE: 306200 -218.923 -52.3952 157.689 -101.864 -173.839 -117.847 241.344 -140.742 -204.565 PRESSAVG: 306200 22.4104 -5.7426 3.15778 -5.74254 -13.222 -8.85864 3.15787 -8.85877 66.0727 GPRESSAVG: 306200 23.66 -6.98417 1.87041 -1.84186 -14.1407 -6.62598 5.75857 -9.60684 65.5146 TIMING: 306200 CPU: 884.474, 0.00287245/step Wall: 884.474, 0.00287245/step, 3.74519 hours remaining, 205.554688 MB of memory in use. ENERGY: 306200 746.6295 2064.6124 1945.0602 106.4613 -205774.6397 17309.4327 0.0000 0.0000 34487.3366 -149115.1070 301.1865 -183602.4436 -149019.6785 299.3089 -227.5804 -199.1091 558190.1532 25.0870 25.0113 PRESSURE: 306400 -161.524 10.5901 -84.7844 10.5902 -202.894 96.7308 -84.785 96.7308 53.5542 GPRESSURE: 306400 -110.503 -14.5723 -67.6452 -14.4158 -140.763 188.643 -88.1508 66.7179 50.4496 PRESSAVG: 306400 63.3021 -23.8961 13.9972 -23.8961 -56.7857 22.2834 13.9973 22.2834 -12.5214 GPRESSAVG: 306400 62.2988 -25.2886 15.0525 -23.7714 -55.6062 20.9243 13.0302 23.0647 -11.9374 TIMING: 306400 CPU: 885.05, 0.002878/step Wall: 885.05, 0.002878/step, 3.75227 hours remaining, 205.554688 MB of memory in use. ENERGY: 306400 772.1493 2032.4395 1939.4665 114.7619 -205829.6147 17608.9248 0.0000 0.0000 34322.8590 -149039.0137 299.7501 -183361.8727 -148938.2516 300.1368 -103.6210 -66.9388 556780.1033 -2.0017 -1.7483 PRESSURE: 306600 11.6799 67.6433 -50.2625 67.6434 53.0043 -148.982 -50.2619 -148.981 -91.1236 GPRESSURE: 306600 -0.413195 63.6049 -125.388 52.6866 83.2912 -124.717 -30.3644 -156.32 -13.138 PRESSAVG: 306600 22.6668 3.7146 37.8543 3.71451 -49.8952 -7.02333 37.8543 -7.02348 21.4342 GPRESSAVG: 306600 23.1048 5.4506 38.1523 1.40784 -50.9361 -4.66786 35.0257 -6.40646 22.9423 TIMING: 306600 CPU: 885.623, 0.00286321/step Wall: 885.623, 0.00286321/step, 3.73283 hours remaining, 205.554688 MB of memory in use. ENERGY: 306600 740.1236 2060.3846 1953.4595 113.7071 -206186.8140 17844.1939 0.0000 0.0000 34353.5871 -149121.3581 300.0184 -183474.9452 -149029.8712 299.5738 -8.8131 23.2467 557523.0421 -1.9314 -1.6297 PRESSURE: 306800 -167.999 116.2 28.8747 116.2 26.2576 122.075 28.8772 122.075 -36.5014 GPRESSURE: 306800 -88.3444 59.5093 -65.1284 28.1421 35.2333 126.326 84.1653 103.991 -29.4754 PRESSAVG: 306800 -15.8574 -21.7525 26.4085 -21.7525 49.6571 -33.353 26.4084 -33.353 -70.7427 GPRESSAVG: 306800 -14.875 -21.8474 24.8603 -22.693 50.8675 -36.4063 29.7993 -33.4334 -73.1029 TIMING: 306800 CPU: 886.196, 0.00286621/step Wall: 886.196, 0.00286621/step, 3.73658 hours remaining, 205.554688 MB of memory in use. ENERGY: 306800 758.5746 2132.9494 1927.9144 110.9382 -205889.1199 17675.5684 0.0000 0.0000 34233.1019 -149050.0730 298.9662 -183283.1749 -148954.0849 299.3203 -59.4141 -27.5288 558588.4588 -12.3143 -12.3701 PRESSURE: 307000 -37.2029 -162.451 -194.052 -162.451 -19.004 -54.4838 -194.052 -54.4824 20.8828 GPRESSURE: 307000 -37.584 -122.145 -121.333 -74.8077 39.1065 -39.8227 -175.814 -12.0187 42.8998 PRESSAVG: 307000 -22.7912 -37.7274 -23.3648 -37.7273 -31.2964 -53.9099 -23.3647 -53.91 -5.5902 GPRESSAVG: 307000 -23.7673 -36.4378 -23.5257 -37.1925 -30.8795 -52.1564 -22.9849 -54.2627 -4.25127 TIMING: 307000 CPU: 886.768, 0.00285914/step Wall: 886.768, 0.00285914/step, 3.7272 hours remaining, 205.554688 MB of memory in use. ENERGY: 307000 721.2290 2120.6611 1916.3692 111.5848 -205719.1965 17475.5830 0.0000 0.0000 34439.1701 -148934.5994 300.7658 -183373.7695 -148835.0458 299.2564 -11.7747 14.8074 559257.9106 -19.8926 -19.6327 PRESSURE: 307200 -166.112 74.9598 -71.2927 74.9607 92.4969 -181.464 -71.2925 -181.465 -68.3689 GPRESSURE: 307200 -111.741 67.1943 -87.9003 94.9509 135.463 -239.872 -68.3873 -180.734 -66.2496 PRESSAVG: 307200 25.4004 -37.783 -76.9627 -37.7829 54.8207 -26.5458 -76.9626 -26.5458 -83.1704 GPRESSAVG: 307200 25.7389 -40.197 -75.4679 -36.5871 54.464 -25.8133 -80.1379 -27.7135 -83.185 TIMING: 307200 CPU: 887.339, 0.00285472/step Wall: 887.339, 0.00285472/step, 3.72129 hours remaining, 205.554688 MB of memory in use. ENERGY: 307200 783.2860 2067.1459 1910.6776 120.8002 -206281.6882 18029.1305 0.0000 0.0000 34383.1390 -148987.5091 300.2765 -183370.6480 -148883.8143 300.2891 -47.3280 -14.1760 560325.2930 -0.9831 -0.9940 PRESSURE: 307400 140.728 -4.04602 122.15 -4.04618 189.2 -71.0635 122.151 -71.0629 -47.7638 GPRESSURE: 307400 130.996 -5.07028 20.6656 19.5907 247.42 14.8014 175.139 -120.189 -5.60496 PRESSAVG: 307400 -47.7111 1.22255 -2.85781 1.22252 31.9051 -21.3444 -2.85775 -21.3444 -4.79712 GPRESSAVG: 307400 -48.9608 2.39358 -2.68641 0.369206 32.193 -24.3797 -3.29865 -19.6331 -3.8782 TIMING: 307400 CPU: 887.918, 0.0028963/step Wall: 887.918, 0.0028963/step, 3.77532 hours remaining, 205.554688 MB of memory in use. ENERGY: 307400 716.8619 2113.8605 1963.9528 108.0339 -206169.0018 17959.9373 0.0000 0.0000 34156.3972 -149149.9582 298.2963 -183306.3553 -149060.6328 299.6114 94.0548 124.2704 557595.8086 -6.8677 -6.8820 PRESSURE: 307600 -151.428 -61.0114 64.1027 -61.0122 -76.8257 36.1018 64.103 36.1025 -95.5022 GPRESSURE: 307600 -107.261 -52.7123 102.719 -49.687 -56.4274 15.2943 31.1256 67.8614 -64.4235 PRESSAVG: 307600 -62.6325 -12.3997 25.3107 -12.3996 -4.77162 41.1018 25.3107 41.1019 77.1216 GPRESSAVG: 307600 -61.1117 -11.4491 26.3305 -12.3633 -5.92308 42.6221 25.2742 40.8206 76.8459 TIMING: 307600 CPU: 888.499, 0.00290737/step Wall: 888.499, 0.00290737/step, 3.7896 hours remaining, 205.554688 MB of memory in use. ENERGY: 307600 748.9491 2115.7208 1943.7839 113.6696 -206045.2063 17742.2399 0.0000 0.0000 34157.2818 -149223.5613 298.3040 -183380.8431 -149137.5696 299.7098 -107.9188 -76.0373 559225.0922 3.2392 3.2704 PRESSURE: 307800 -38.5369 38.1046 14.5762 38.1056 109.49 31.2529 14.5753 31.2538 -123.498 GPRESSURE: 307800 -47.5718 45.2468 38.7666 -28.3364 213.07 26.5834 -20.9654 46.9176 -123.765 PRESSAVG: 307800 19.0495 -5.51 3.96002 -5.51012 14.274 3.63374 3.96 3.63376 -1.87066 GPRESSAVG: 307800 18.9176 -7.54969 3.55578 -3.89496 14.9142 3.35253 4.08073 3.92625 -2.50931 TIMING: 307800 CPU: 889.078, 0.0028933/step Wall: 889.078, 0.0028933/step, 3.77109 hours remaining, 205.554688 MB of memory in use. ENERGY: 307800 746.4011 2145.4520 1964.9685 122.7537 -206495.4255 18032.8230 0.0000 0.0000 34427.3246 -149055.7026 300.6624 -183483.0272 -148956.9678 299.7825 -17.5150 13.9108 558769.7436 10.4843 10.4408 PRESSURE: 308000 7.15901 -37.8725 -21.5461 -37.8721 154.95 59.5763 -21.5467 59.5754 458.011 GPRESSURE: 308000 35.548 -8.01728 4.34412 -26.3797 169.849 66.8054 35.6901 91.2938 520.985 PRESSAVG: 308000 64.7394 -24.5137 61.625 -24.5137 -35.9591 31.2391 61.6249 31.2391 -13.3863 GPRESSAVG: 308000 63.5187 -24.2074 61.8574 -25.3531 -36.5866 31.2344 62.1904 31.0085 -11.5775 TIMING: 308000 CPU: 889.656, 0.00288867/step Wall: 889.656, 0.00288867/step, 3.76489 hours remaining, 205.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 308000 760.2016 2119.5977 1960.5538 108.2518 -206479.2848 18121.8679 0.0000 0.0000 34256.4219 -149152.3900 299.1699 -183408.8119 -149058.3470 299.2680 206.7066 242.1274 556728.5881 5.1314 5.1182 PRESSURE: 308200 45.1312 -146.315 -35.7884 -146.314 159.965 -166.668 -35.7877 -166.668 -148.567 GPRESSURE: 308200 47.8447 -78.2492 25.2307 -188.433 214.179 -89.7909 -18.2079 -261.042 -103.645 PRESSAVG: 308200 32.3793 -25.2106 75.9579 -25.2106 33.891 35.5041 75.9579 35.5042 -72.1411 GPRESSAVG: 308200 32.4957 -23.6483 76.7511 -25.6726 35.6981 35.7268 74.1324 35.132 -74.4908 TIMING: 308200 CPU: 890.237, 0.00290434/step Wall: 890.237, 0.00290434/step, 3.78516 hours remaining, 205.554688 MB of memory in use. ENERGY: 308200 756.0291 2123.9223 1943.7198 126.5751 -206256.2449 17870.7461 0.0000 0.0000 34235.9440 -149199.3085 298.9910 -183435.2525 -149111.0132 299.7179 18.8432 52.7928 556531.0056 -1.9569 -2.0990 LDB: ============= START OF LOAD BALANCING ============== 893.622 LDB: ============== END OF LOAD BALANCING =============== 893.622 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 893.623 LDB: ============= START OF LOAD BALANCING ============== 893.912 LDB: Largest compute 4822 load 0.023077 is 19.6% of average load 0.117858 LDB: Average compute 0.001709 is 1.5% of average load 0.117858 LDB: TIME 893.914 LOAD: AVG 0.117858 MAX 0.178825 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.555 MB LDB: TIME 893.915 LOAD: AVG 0.117858 MAX 0.178825 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.781 MB LDB: TIME 893.915 LOAD: AVG 0.117858 MAX 0.178825 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.781 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 893.917 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 893.921 PRESSURE: 308400 -148.809 -129.376 15.3191 -129.377 -95.8225 -63.9135 15.3188 -63.9146 -17.0118 GPRESSURE: 308400 -28.4975 -60.8085 -34.6233 -88.7356 -113.67 33.3091 37.902 -71.5012 -18.2718 PRESSAVG: 308400 23.785 -9.46856 33.0854 -9.46864 -18.2053 -48.3365 33.0854 -48.3366 5.0499 GPRESSAVG: 308400 24.2356 -9.76708 31.7707 -10.6729 -19.2256 -48.1035 34.4565 -48.5173 5.67702 TIMING: 308400 CPU: 890.825, 0.00294079/step Wall: 890.825, 0.00294079/step, 3.8325 hours remaining, 205.800781 MB of memory in use. ENERGY: 308400 757.2635 2115.0876 1923.9811 112.4601 -206038.1401 17670.3981 0.0000 0.0000 34355.8893 -149103.0606 300.0385 -183458.9499 -149003.4663 299.8530 -87.2144 -53.4797 556196.6829 3.5432 3.5624 PRESSURE: 308600 -104.399 -67.2068 23.3632 -67.2052 10.4335 -205.389 23.3628 -205.389 -65.499 GPRESSURE: 308600 -101.048 -38.985 -22.118 -45.4062 33.8675 -221.808 46.3533 -215.101 -2.70092 PRESSAVG: 308600 27.8288 -10.0967 45.4089 -10.0967 53.8194 -18.9691 45.4089 -18.9691 -37.7287 GPRESSAVG: 308600 28.1718 -10.2182 44.923 -9.34135 53.115 -19.9183 44.1631 -19.8358 -36.9617 TIMING: 308600 CPU: 891.403, 0.00288891/step Wall: 891.403, 0.00288891/step, 3.76473 hours remaining, 206.058594 MB of memory in use. ENERGY: 308600 712.9813 2145.5070 1925.0890 108.9524 -205894.1833 17690.3536 0.0000 0.0000 34285.2964 -149026.0037 299.4220 -183311.3000 -148926.3729 300.0191 -53.1548 -23.2938 557856.9815 14.6398 14.7750 PRESSURE: 308800 18.3831 -90.9542 0.933069 -90.9545 -94.4757 14.5083 0.933791 14.5084 116.072 GPRESSURE: 308800 8.29109 -32.8199 44.6913 -65.3193 -19.5097 -64.3752 -70.4171 43.7761 166.73 PRESSAVG: 308800 -15.9256 -50.2689 12.5157 -50.2689 -4.51293 7.91872 12.5158 7.91868 -29.8807 GPRESSAVG: 308800 -15.2635 -52.2335 12.7151 -49.7534 -3.37467 8.09042 14.1844 7.5017 -31.4124 TIMING: 308800 CPU: 891.979, 0.00288217/step Wall: 891.979, 0.00288217/step, 3.75579 hours remaining, 206.058594 MB of memory in use. ENERGY: 308800 759.4055 2076.3503 1913.8388 115.7280 -206437.2614 17958.3739 0.0000 0.0000 34426.3263 -149187.2385 300.6537 -183613.5648 -149086.5843 299.9380 13.3265 51.8370 558554.9498 -16.7731 -16.6835 PRESSURE: 309000 307.728 131.329 -188.559 131.329 232.847 -217.093 -188.56 -217.094 191.159 GPRESSURE: 309000 347.583 161.146 -203.694 92.488 306.492 -94.016 -189.107 -196.838 168.704 PRESSAVG: 309000 -26.2284 12.8497 -70.1633 12.8496 45.4222 38.8047 -70.1633 38.8046 -17.7525 GPRESSAVG: 309000 -27.8769 16.1966 -69.1753 12.4387 44.628 40.012 -69.4265 39.3441 -16.4441 TIMING: 309000 CPU: 892.554, 0.0028763/step Wall: 892.554, 0.0028763/step, 3.74798 hours remaining, 206.316406 MB of memory in use. ENERGY: 309000 745.4276 2117.5402 1928.1685 110.1603 -206541.7212 18222.8719 0.0000 0.0000 34059.9188 -149357.6340 297.4537 -183417.5528 -149266.2178 299.1740 243.9112 274.2597 556190.5296 0.4804 0.1024 PRESSURE: 309200 -94.1169 120.263 -77.0264 120.263 93.2827 -143.351 -77.0273 -143.352 -194.064 GPRESSURE: 309200 -75.8121 126.624 -67.6724 108.117 130.029 -204.609 -114.09 -184.407 -147.096 PRESSAVG: 309200 81.4569 76.9272 -8.86178 76.9272 10.2673 -58.0513 -8.86184 -58.0513 -71.2303 GPRESSAVG: 309200 82.1877 75.3652 -9.03932 75.9152 10.2528 -58.6135 -11.4606 -57.1438 -71.5662 TIMING: 309200 CPU: 893.128, 0.0028683/step Wall: 893.128, 0.0028683/step, 3.7374 hours remaining, 206.316406 MB of memory in use. ENERGY: 309200 733.5736 2098.1803 1936.2749 113.5220 -206454.7591 17812.7578 0.0000 0.0000 34200.5541 -149559.8965 298.6819 -183760.4505 -149460.4084 298.3651 -64.9661 -30.9599 557664.7564 6.8313 6.9581 PRESSURE: 309400 -119.322 -9.25373 33.3074 -9.25226 -37.9018 -177.583 33.306 -177.584 -187.697 GPRESSURE: 309400 -59.3955 -49.1628 40.9571 0.417584 -2.8048 -142.999 31.5049 -140.775 -184.218 PRESSAVG: 309400 -0.466726 -6.56847 14.0924 -6.56845 0.639313 -77.0005 14.0924 -77.0006 -33.3156 GPRESSAVG: 309400 0.491654 -7.23318 12.6702 -4.10838 -0.182518 -77.4849 16.8105 -76.6174 -33.921 TIMING: 309400 CPU: 893.702, 0.00287137/step Wall: 893.702, 0.00287137/step, 3.74124 hours remaining, 206.316406 MB of memory in use. ENERGY: 309400 771.4719 2088.2783 1928.1770 120.9822 -206224.6833 17685.6025 0.0000 0.0000 34178.8704 -149451.3010 298.4926 -183630.1714 -149354.5625 299.0884 -114.9736 -82.1395 557044.8904 -11.0477 -11.2040 PRESSURE: 309600 -96.7361 185.181 57.6788 185.181 -358.171 -97.9256 57.6793 -97.9255 173.895 GPRESSURE: 309600 11.4869 209.501 134.311 48.3838 -316.777 -85.4676 -10.1722 -73.1265 126.309 PRESSAVG: 309600 62.6933 -27.8506 -11.4761 -27.8505 -28.7397 -21.0743 -11.4761 -21.0743 -6.29899 GPRESSAVG: 309600 61.664 -27.5098 -9.23238 -27.6456 -28.0947 -18.8254 -13.8021 -23.8417 -6.68994 TIMING: 309600 CPU: 894.281, 0.00289511/step Wall: 894.281, 0.00289511/step, 3.77201 hours remaining, 206.316406 MB of memory in use. ENERGY: 309600 750.3654 2092.1609 1944.2924 116.1433 -206214.2523 17744.3839 0.0000 0.0000 34440.3952 -149126.5111 300.7765 -183566.9063 -149033.9400 299.5683 -93.6708 -59.6603 557497.7129 9.2182 8.9598 PRESSURE: 309800 -92.6043 105.575 -34.5294 105.574 -223.141 15.4923 -34.5288 15.4909 -109.731 GPRESSURE: 309800 -62.0008 85.9619 -163.48 50.3157 -255.272 -35.1725 42.1243 11.8546 9.54435 PRESSAVG: 309800 6.7009 23.0683 -37.7203 23.0683 -37.2847 34.3298 -37.7202 34.3298 46.8229 GPRESSAVG: 309800 6.31872 23.1465 -38.0403 21.9914 -37.6734 33.4135 -37.4421 36.9264 48.4468 TIMING: 309800 CPU: 894.859, 0.00288802/step Wall: 894.859, 0.00288802/step, 3.76261 hours remaining, 206.316406 MB of memory in use. ENERGY: 309800 788.8829 2055.3035 1949.6301 124.4678 -205821.3961 17460.3447 0.0000 0.0000 34219.1584 -149223.6087 298.8444 -183442.7671 -149120.7372 299.6687 -141.8252 -102.5762 556152.0054 5.4130 5.6974 PRESSURE: 310000 217.129 15.0028 36.812 15.0035 -101.873 95.1203 36.8116 95.1201 442.043 GPRESSURE: 310000 236.619 34.5026 4.9947 0.299986 -12.9999 55.8794 -3.44609 153.039 440.753 PRESSAVG: 310000 14.1 -10.8232 41.7254 -10.8232 -28.0288 -26.4701 41.7253 -26.47 26.9712 GPRESSAVG: 310000 15.4305 -9.7567 41.2731 -11.0261 -27.4578 -28.1995 41.8022 -25.8864 25.0093 TIMING: 310000 CPU: 895.436, 0.00288304/step Wall: 895.436, 0.00288304/step, 3.75596 hours remaining, 206.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 310000 785.0872 2111.1695 1939.6299 123.6115 -206514.6702 18230.6651 0.0000 0.0000 34162.6681 -149161.8388 298.3511 -183324.5069 -149066.0162 299.1633 185.7665 221.4576 555813.9308 4.3475 4.3273 PRESSURE: 310200 -107.793 109.624 -128.156 109.624 -167.066 233.316 -128.157 233.317 7.07421 GPRESSURE: 310200 -93.7309 134.083 -190.565 193.612 -153.718 202.762 -117.99 260.518 70.9364 PRESSAVG: 310200 -14.1029 30.7659 -21.1899 30.7659 -11.1433 75.6428 -21.1898 75.6428 30.6298 GPRESSAVG: 310200 -14.8939 29.1404 -19.8833 31.5047 -10.688 76.0383 -21.8115 74.3646 31.62 TIMING: 310200 CPU: 896.01, 0.00287076/step Wall: 896.01, 0.00287076/step, 3.73981 hours remaining, 206.316406 MB of memory in use. ENERGY: 310200 726.0998 2084.8750 1948.8577 103.6781 -206118.3615 17727.3115 0.0000 0.0000 34329.7622 -149197.7773 299.8104 -183527.5395 -149104.9719 298.6091 -89.2615 -58.8377 558231.2085 1.7945 2.0127 PRESSURE: 310400 -122.225 -61.669 -89.7192 -61.6702 144.885 85.5749 -89.718 85.5741 -103.866 GPRESSURE: 310400 -102.571 -126.124 -90.9655 -43.0988 166.524 109.373 -112.936 49.5494 -61.0056 PRESSAVG: 310400 -14.9485 17.4688 13.4153 17.4689 23.6169 -20.5306 13.4154 -20.5306 -21.7309 GPRESSAVG: 310400 -14.4797 18.1117 12.6403 18.2099 23.115 -23.482 16.0152 -17.0379 -21.0669 TIMING: 310400 CPU: 896.582, 0.00286351/step Wall: 896.582, 0.00286351/step, 3.7302 hours remaining, 206.316406 MB of memory in use. ENERGY: 310400 781.6634 2112.3239 1927.0600 110.2520 -206248.2366 17929.0391 0.0000 0.0000 34349.2950 -149038.6032 299.9809 -183387.8983 -148940.5709 299.6580 -27.0688 0.9822 559722.5158 -4.3542 -4.1439 PRESSURE: 310600 -252.989 -55.4297 -24.8642 -55.4303 -153.521 -29.3775 -24.8635 -29.3794 93.4576 GPRESSURE: 310600 -178.356 -11.9269 58.4062 -99.1012 -133.109 34.3277 -150.104 -13.2934 99.3592 PRESSAVG: 310600 22.8069 87.9555 7.30643 87.9554 -22.2904 18.7069 7.30647 18.7069 -2.14132 GPRESSAVG: 310600 21.8202 87.0334 6.3566 87.588 -21.7272 22.2729 6.34886 15.1187 -1.42022 TIMING: 310600 CPU: 897.16, 0.0028863/step Wall: 897.16, 0.0028863/step, 3.75973 hours remaining, 206.316406 MB of memory in use. ENERGY: 310600 769.9726 2081.3432 1952.7702 108.5151 -205984.7961 17706.4611 0.0000 0.0000 34316.7769 -149048.9570 299.6969 -183365.7339 -148953.7412 300.4465 -104.3508 -70.7018 557682.6514 -0.5416 -0.4424 PRESSURE: 310800 -320.325 49.1419 18.0675 49.1425 -45.6397 -131.773 18.0677 -131.772 -116.517 GPRESSURE: 310800 -275.313 -58.5639 -6.26016 137.38 -29.6108 -249.358 20.7562 -130.548 -84.8973 PRESSAVG: 310800 -31.7954 82.3569 -10.7524 82.3569 -16.9406 -57.379 -10.7524 -57.379 15.8224 GPRESSAVG: 310800 -30.3135 84.0213 -10.4291 81.7985 -17.2801 -58.2613 -9.92424 -57.2656 15.4036 TIMING: 310800 CPU: 897.739, 0.00289469/step Wall: 897.739, 0.00289469/step, 3.7705 hours remaining, 206.316406 MB of memory in use. ENERGY: 310800 764.4209 2062.4042 1934.8203 123.0810 -205847.3326 17465.6672 0.0000 0.0000 34403.8896 -149093.0493 300.4577 -183496.9390 -148989.5182 299.4397 -160.8274 -129.9405 557317.6284 -10.9712 -10.7300 PRESSURE: 311000 -89.7915 25.7081 -40.5254 25.7077 -179.711 23.5571 -40.5258 23.559 -160.452 GPRESSURE: 311000 -84.0344 -12.2843 -107.385 -29.7215 -134.897 18.7719 33.5398 86.2982 -120.301 PRESSAVG: 311000 7.96581 -9.7239 -18.5308 -9.72403 -14.5401 -35.157 -18.5309 -35.1569 -14.9768 GPRESSAVG: 311000 8.40357 -9.09116 -18.2097 -9.95908 -14.1288 -35.7554 -19.3469 -35.1506 -15.6721 TIMING: 311000 CPU: 898.321, 0.00291017/step Wall: 898.321, 0.00291017/step, 3.79049 hours remaining, 206.316406 MB of memory in use. ENERGY: 311000 773.0867 2101.9725 1991.0428 120.6960 -206249.2379 17656.8136 0.0000 0.0000 34280.0796 -149325.5467 299.3765 -183605.6263 -149227.1060 299.7425 -143.3182 -113.0775 556274.5520 -7.1837 -7.1324 PRESSURE: 311200 -212.026 92.4785 -44.4439 92.4793 -90.8134 -5.2206 -44.4434 -5.22113 25.5737 GPRESSURE: 311200 -163.61 86.9373 -92.4109 125.152 -75.4906 57.6109 -44.8775 -53.3185 69.3152 PRESSAVG: 311200 9.29059 17.8278 29.3366 17.8279 -22.7479 -35.8106 29.3366 -35.8106 30.8318 GPRESSAVG: 311200 8.18681 18.6345 29.6882 18.0061 -22.8139 -34.4622 28.4273 -35.0882 31.2736 TIMING: 311200 CPU: 898.897, 0.0028827/step Wall: 898.897, 0.0028827/step, 3.75455 hours remaining, 206.316406 MB of memory in use. ENERGY: 311200 757.2088 2154.0791 1933.3485 124.2189 -205994.9849 17657.2331 0.0000 0.0000 34131.4102 -149237.4863 298.0781 -183368.8965 -149146.6309 299.3776 -92.4218 -56.5951 556965.3509 5.7915 5.5488 PRESSURE: 311400 -121.027 144.039 102.656 144.039 24.9309 -46.1726 102.656 -46.1722 326.841 GPRESSURE: 311400 -49.3659 170.079 -6.3437 133.199 48.6024 -58.0635 105.575 -128.224 331.661 PRESSAVG: 311400 -36.2824 58.6188 -22.4896 58.6187 0.582059 -35.3489 -22.4896 -35.349 17.2639 GPRESSAVG: 311400 -36.3676 58.5704 -22.8889 59.1045 0.659118 -35.5465 -22.4781 -37.1577 17.0256 TIMING: 311400 CPU: 899.473, 0.0028806/step Wall: 899.473, 0.0028806/step, 3.75167 hours remaining, 206.316406 MB of memory in use. ENERGY: 311400 770.5647 2080.3491 1910.3055 119.3360 -206274.9002 17897.1379 0.0000 0.0000 34255.1577 -149242.0494 299.1588 -183497.2071 -149146.7569 299.3467 76.9149 110.2993 557263.5186 -6.1455 -6.2276 PRESSURE: 311600 -270.548 101.547 -20.0927 101.547 -93.6198 -119.192 -20.0919 -119.192 -155.52 GPRESSURE: 311600 -223.231 77.8978 -51.7596 157.582 -25.73 -82.8799 -78.3113 -81.3081 -175.543 PRESSAVG: 311600 -12.7609 40.3709 -6.76168 40.3709 -0.800808 -39.4071 -6.76176 -39.4071 26.1764 GPRESSAVG: 311600 -12.8488 39.9828 -5.32364 40.6148 0.173988 -41.9026 -8.04044 -36.4493 25.2915 TIMING: 311600 CPU: 900.058, 0.00292297/step Wall: 900.058, 0.00292297/step, 3.80668 hours remaining, 206.316406 MB of memory in use. ENERGY: 311600 788.9032 2114.9958 1914.9871 104.7316 -206076.0220 17562.7281 0.0000 0.0000 34390.2095 -149199.4668 300.3383 -183589.6763 -149095.5266 299.2678 -173.2294 -141.5011 557463.8154 4.2049 4.2056 PRESSURE: 311800 -151.481 -146.332 65.3369 -146.332 60.2822 12.7495 65.3386 12.7485 -283.474 GPRESSURE: 311800 -129.124 -155.007 76.9843 -158.798 68.5194 -20.381 33.7607 -91.9152 -209.233 PRESSAVG: 311800 -11.2231 -0.640937 49.3695 -0.64105 4.64154 -27.4349 49.3695 -27.4349 29.0249 GPRESSAVG: 311800 -10.1827 -0.267572 47.8811 -1.24196 3.3654 -24.2525 50.5396 -29.1125 29.4731 TIMING: 311800 CPU: 900.637, 0.00289536/step Wall: 900.637, 0.00289536/step, 3.77056 hours remaining, 206.316406 MB of memory in use. ENERGY: 311800 743.7978 2113.3136 1945.8727 105.8858 -206034.4646 17637.1580 0.0000 0.0000 34280.0167 -149208.4200 299.3759 -183488.4367 -149113.7885 299.2698 -124.8909 -89.9457 558797.0563 7.4811 7.5519 PRESSURE: 312000 -0.0776044 86.1583 173.128 86.1586 -195.835 -80.4318 173.128 -80.4316 -211.096 GPRESSURE: 312000 66.3704 84.1601 118.249 42.2407 -208.793 -61.1532 166.842 -6.10916 -183.148 PRESSAVG: 312000 -29.6379 -14.698 -2.12324 -14.6979 11.2684 1.01214 -2.12323 1.01215 -5.09467 GPRESSAVG: 312000 -30.1084 -15.4302 -3.47597 -15.3471 11.4625 -0.576196 -2.0439 1.83935 -4.98229 TIMING: 312000 CPU: 901.217, 0.00290268/step Wall: 901.217, 0.00290268/step, 3.77994 hours remaining, 206.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 312000 750.6423 2102.0513 1947.6653 102.3457 -206161.4642 17633.5003 0.0000 0.0000 34316.3253 -149308.9339 299.6930 -183625.2592 -149209.9472 299.1640 -135.6695 -108.5237 559307.1806 -7.8214 -7.8761 PRESSURE: 312200 -23.2742 -10.5708 102.456 -10.5712 -71.3485 230.739 102.457 230.739 33.2177 GPRESSURE: 312200 -0.48123 -94.2749 170.982 81.043 0.0790954 243.435 77.8278 220.777 38.8339 PRESSAVG: 312200 -40.0983 -12.9862 10.2572 -12.9862 23.637 -3.93921 10.2572 -3.93931 64.3307 GPRESSAVG: 312200 -40.1203 -13.2556 12.7818 -9.19347 24.4081 -2.943 9.42185 -3.94821 63.5225 TIMING: 312200 CPU: 901.793, 0.0028787/step Wall: 901.793, 0.0028787/step, 3.74855 hours remaining, 206.316406 MB of memory in use. ENERGY: 312200 760.7726 2101.2416 1941.3953 127.1608 -206492.4497 17981.2296 0.0000 0.0000 34295.9445 -149284.7054 299.5150 -183580.6499 -149195.6437 299.0781 -20.4684 12.8106 558381.5137 15.9565 15.9368 LDB: ============= START OF LOAD BALANCING ============== 905.178 LDB: ============== END OF LOAD BALANCING =============== 905.178 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 905.179 LDB: ============= START OF LOAD BALANCING ============== 905.467 LDB: Largest compute 4820 load 0.023663 is 20.1% of average load 0.117917 LDB: Average compute 0.001715 is 1.5% of average load 0.117917 LDB: TIME 905.469 LOAD: AVG 0.117917 MAX 0.181071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.039 MB LDB: TIME 905.47 LOAD: AVG 0.117917 MAX 0.181071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.039 MB LDB: TIME 905.47 LOAD: AVG 0.117917 MAX 0.181071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 905.471 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 905.475 PRESSURE: 312400 80.0683 50.0295 -33.9827 50.0296 -94.3296 42.5389 -33.9823 42.5392 -23.0012 GPRESSURE: 312400 119.877 66.0482 -44.1442 40.6935 -7.18688 38.8281 -13.1569 15.7254 -45.733 PRESSAVG: 312400 81.5937 14.9473 43.0017 14.9474 -0.33454 -40.9648 43.0019 -40.9648 -45.7224 GPRESSAVG: 312400 80.6316 14.6395 41.0085 12.134 -0.79155 -40.9972 42.7469 -40.5367 -44.4595 TIMING: 312400 CPU: 902.38, 0.00293303/step Wall: 902.38, 0.00293303/step, 3.81913 hours remaining, 208.613281 MB of memory in use. ENERGY: 312400 751.2621 2083.0573 1950.7944 115.0002 -206257.7813 17888.8565 0.0000 0.0000 34194.7889 -149274.0218 298.6316 -183468.8108 -149176.5279 299.0779 -12.4208 22.3192 557196.4404 11.8456 11.7935 PRESSURE: 312600 -181.056 6.58251 -64.934 6.5822 -250.233 -11.834 -64.9339 -11.8328 -290.337 GPRESSURE: 312600 -157.492 19.9282 -35.1382 76.6251 -188.155 70.1502 -140.675 -45.3701 -270.79 PRESSAVG: 312600 58.7677 22.0549 33.5031 22.0549 -50.8076 -22.6332 33.503 -22.633 -1.66174 GPRESSAVG: 312600 58.4138 22.2882 33.6656 21.5581 -51.1944 -23.6092 34.4717 -22.945 -1.50074 TIMING: 312600 CPU: 902.955, 0.00287639/step Wall: 902.955, 0.00287639/step, 3.74522 hours remaining, 208.683594 MB of memory in use. ENERGY: 312600 777.1430 2116.6795 1955.8918 106.2919 -205970.9037 17454.1260 0.0000 0.0000 34285.2979 -149275.4736 299.4220 -183560.7714 -149177.9212 299.5936 -240.5419 -205.4792 557543.6749 2.0994 1.9062 PRESSURE: 312800 -217.271 28.3056 -43.0574 28.3048 -112.723 31.8569 -43.0586 31.8561 8.19629 GPRESSURE: 312800 -173.186 -28.2601 81.0234 31.5192 -96.9109 -22.9938 -119.068 63.0062 33.7503 PRESSAVG: 312800 -37.5736 -29.7494 -20.2602 -29.7494 -43.005 -41.6708 -20.2602 -41.6708 15.2369 GPRESSAVG: 312800 -37.9042 -29.1603 -18.8016 -29.2308 -42.2546 -40.4818 -21.5362 -41.531 14.6319 TIMING: 312800 CPU: 903.531, 0.00287926/step Wall: 903.531, 0.00287926/step, 3.74879 hours remaining, 208.683594 MB of memory in use. ENERGY: 312800 752.3207 2107.6558 1951.7080 107.1891 -206275.5852 17655.8221 0.0000 0.0000 34393.2959 -149307.5936 300.3652 -183700.8895 -149206.9491 299.4408 -107.2659 -78.7822 556988.5478 -21.7806 -21.8423 PRESSURE: 313000 190.236 -36.978 64.8153 -36.9778 -30.3992 -59.5091 64.8166 -59.5095 64.3373 GPRESSURE: 313000 213.381 -16.728 113.097 -30.1065 40.9205 2.72702 -34.7966 -89.0135 68.8644 PRESSAVG: 313000 3.89195 8.63278 -40.7583 8.63275 -31.9929 9.59421 -40.7583 9.59426 38.7752 GPRESSAVG: 313000 4.21773 9.41128 -40.2996 9.12959 -32.9141 6.97186 -40.4128 10.081 39.0773 TIMING: 313000 CPU: 904.107, 0.00287869/step Wall: 904.107, 0.00287869/step, 3.7479 hours remaining, 208.683594 MB of memory in use. ENERGY: 313000 764.2005 2054.3491 1929.8747 106.1532 -206365.7293 17999.4283 0.0000 0.0000 34228.9113 -149282.8122 298.9296 -183511.7234 -149188.9908 299.4223 74.7247 107.7219 558294.8327 3.5581 3.4603 PRESSURE: 313200 -51.6594 8.81901 74.9403 8.81745 -177.463 151.498 74.9398 151.497 82.876 GPRESSURE: 313200 22.5641 19.8279 69.5435 -18.0595 -181.546 132.862 -2.93856 256.95 127.73 PRESSAVG: 313200 53.2106 35.6787 -27.8352 35.6788 -26.2401 -42.7456 -27.835 -42.7456 -16.1226 GPRESSAVG: 313200 52.8716 35.1825 -29.7858 35.286 -25.1813 -40.8626 -27.4274 -43.7284 -16.9607 TIMING: 313200 CPU: 904.682, 0.00287855/step Wall: 904.682, 0.00287855/step, 3.74756 hours remaining, 208.683594 MB of memory in use. ENERGY: 313200 737.3225 2099.9771 1931.7700 127.4436 -206081.8348 17668.8944 0.0000 0.0000 34205.7081 -149310.7190 298.7270 -183516.4271 -149215.8472 298.7276 -48.7488 -10.4171 556622.9632 3.6160 3.5765 PRESSURE: 313400 -156.813 49.039 68.79 49.0401 -76.0819 -297.302 68.7899 -297.303 -85.5551 GPRESSURE: 313400 -68.6643 -62.2585 131.634 111.732 -101.873 -307.324 112.765 -254.179 -59.3057 PRESSAVG: 313400 -4.68251 34.1135 14.1896 34.1134 -15.4551 -27.8029 14.1895 -27.8029 34.0308 GPRESSAVG: 313400 -4.9965 34.1457 13.8931 34.7819 -15.9664 -28.8765 14.2891 -26.0263 34.5434 TIMING: 313400 CPU: 905.264, 0.00290899/step Wall: 905.264, 0.00290899/step, 3.78702 hours remaining, 208.683594 MB of memory in use. ENERGY: 313400 760.5106 2095.4698 1938.7795 106.4578 -206233.1637 17707.7250 0.0000 0.0000 34297.5280 -149326.6929 299.5288 -183624.2209 -149231.6427 299.5734 -106.1501 -76.6143 556858.1949 4.6311 4.5268 PRESSURE: 313600 8.30198 292.207 72.3327 292.206 -238.075 64.547 72.332 64.5465 -178.134 GPRESSURE: 313600 -30.2474 260.811 43.1059 315.316 -142.276 127.919 106.202 9.91838 -122.552 PRESSAVG: 313600 19.4746 18.3627 42.4074 18.3627 14.2085 -20.5038 42.4075 -20.5038 -9.83273 GPRESSAVG: 313600 20.8361 18.289 43.6481 17.5532 14.0339 -21.6241 41.4249 -20.6019 -11.0242 TIMING: 313600 CPU: 905.844, 0.00289821/step Wall: 905.844, 0.00289822/step, 3.77283 hours remaining, 208.683594 MB of memory in use. ENERGY: 313600 737.4089 2115.9231 1951.3637 105.8125 -206183.0134 17760.7996 0.0000 0.0000 34181.4741 -149330.2315 298.5153 -183511.7056 -149232.5703 299.0754 -135.9691 -98.3583 557596.5713 7.9501 7.9486 PRESSURE: 313800 76.6839 109.9 10.6255 109.899 128.248 194.025 10.6242 194.024 -67.2024 GPRESSURE: 313800 148.227 131.474 63.936 114.255 133.55 210.44 1.91403 179.132 -42.6489 PRESSAVG: 313800 13.8931 67.3448 8.82054 67.3449 -38.9151 61.4145 8.82055 61.4147 12.3886 GPRESSAVG: 313800 13.4087 67.5964 8.63933 66.4268 -38.7934 62.3821 8.23391 60.4151 12.6778 TIMING: 313800 CPU: 906.423, 0.00289653/step Wall: 906.423, 0.00289653/step, 3.77047 hours remaining, 208.683594 MB of memory in use. ENERGY: 313800 702.8221 2108.4873 1929.5128 121.0684 -206097.0033 17798.7162 0.0000 0.0000 34198.4372 -149237.9592 298.6635 -183436.3964 -149148.2053 298.8593 45.9099 79.7092 557498.4793 -4.2111 -4.2356 PRESSURE: 314000 71.8043 190.306 -46.5295 190.306 132.478 -89.0984 -46.5317 -89.0963 280.587 GPRESSURE: 314000 57.7944 225.403 -1.7117 188.376 220.703 -63.3028 -34.4838 -35.5647 301.08 PRESSAVG: 314000 -42.4409 24.8611 -21.4935 24.8611 13.3702 -16.4179 -21.4934 -16.418 -6.74659 GPRESSAVG: 314000 -43.0896 25.3267 -21.8433 24.6117 12.944 -15.7593 -19.6699 -17.4538 -5.77006 TIMING: 314000 CPU: 907, 0.00288313/step Wall: 907, 0.00288313/step, 3.75288 hours remaining, 208.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 314000 724.6775 2072.3987 1941.4022 107.3642 -206150.6983 17954.0216 0.0000 0.0000 34182.7561 -149168.0780 298.5265 -183350.8341 -149076.0376 299.2936 161.6232 193.1926 555816.3173 -11.9391 -11.9719 PRESSURE: 314200 -110.149 257.323 -35.6143 257.322 -128.695 40.1189 -35.6123 40.1182 238.018 GPRESSURE: 314200 -29.4014 161.255 -51.1669 281.588 -129.481 78.3684 68.8696 -37.4949 252.718 PRESSAVG: 314200 -50.4488 28.7873 33.4648 28.7873 23.7966 -9.83281 33.4648 -9.83282 43.9191 GPRESSAVG: 314200 -50.1989 28.7807 33.8627 30.3976 23.4742 -8.81197 31.4131 -10.6847 44.4878 TIMING: 314200 CPU: 907.579, 0.00289405/step Wall: 907.579, 0.00289405/step, 3.76693 hours remaining, 208.683594 MB of memory in use. ENERGY: 314200 745.2510 2019.2973 1973.0994 119.8512 -206353.3265 17853.5680 0.0000 0.0000 34552.4760 -149089.7837 301.7554 -183642.2597 -148994.1328 299.7936 -0.2756 31.2785 557134.2479 5.7556 5.9210 PRESSURE: 314400 -5.47068 -133.508 -156.199 -133.508 -10.0365 -55.1358 -156.198 -55.1365 -37.2536 GPRESSURE: 314400 33.9751 -61.6457 -103.828 -85.9709 34.2397 -39.1177 -149.139 -97.675 -3.32068 PRESSAVG: 314400 -2.04275 -43.4688 20.6776 -43.4688 -44.9362 -0.887813 20.6775 -0.887794 79.96 GPRESSAVG: 314400 -1.95963 -43.4345 20.5709 -44.8929 -43.3659 -2.26496 21.2046 2.6713 78.7118 TIMING: 314400 CPU: 908.157, 0.00289434/step Wall: 908.157, 0.00289434/step, 3.76714 hours remaining, 208.683594 MB of memory in use. ENERGY: 314400 753.4486 2100.0248 1948.6418 104.8227 -205918.7826 17496.8108 0.0000 0.0000 34389.2432 -149125.7907 300.3298 -183515.0339 -149019.4729 299.3662 -17.5869 21.6314 555512.9633 10.9937 11.1288 PRESSURE: 314600 37.4748 -116.493 -62.0059 -116.492 9.4099 94.5677 -62.0049 94.5673 -64.716 GPRESSURE: 314600 101.49 -59.6512 -25.5485 -111.146 47.2232 4.89487 -91.5292 104.327 -67.903 PRESSAVG: 314600 -40.9026 -33.6651 35.078 -33.6651 32.2494 3.67692 35.0782 3.6769 -3.71876 GPRESSAVG: 314600 -41.4975 -35.097 34.7971 -32.3123 33.2992 2.92228 35.6577 2.77743 -4.68745 TIMING: 314600 CPU: 908.736, 0.0028947/step Wall: 908.736, 0.0028947/step, 3.76745 hours remaining, 208.683594 MB of memory in use. ENERGY: 314600 737.7665 2129.4043 1950.9710 123.1395 -206007.8492 17670.0694 0.0000 0.0000 34311.4426 -149085.0559 299.6504 -183396.4985 -148994.7272 299.6631 -5.9438 26.9368 556998.0479 -4.1240 -4.2952 PRESSURE: 314800 -106.796 -105.22 -87.9892 -105.222 147.393 5.13153 -87.9901 5.13166 -133.654 GPRESSURE: 314800 -72.9132 -15.4035 -93.0351 -93.3043 151.49 -2.63211 -110.913 62.5551 -69.4331 PRESSAVG: 314800 -52.1378 -26.8524 27.1198 -26.8523 25.6367 -54.2726 27.1198 -54.2725 3.59419 GPRESSAVG: 314800 -51.677 -24.6793 26.9134 -29.0972 24.052 -54.8659 27.6649 -53.5838 4.6255 TIMING: 314800 CPU: 909.317, 0.00290444/step Wall: 909.317, 0.00290444/step, 3.77996 hours remaining, 208.683594 MB of memory in use. ENERGY: 314800 715.2526 2037.0401 1961.2606 116.8595 -206451.4487 17821.7146 0.0000 0.0000 34468.9242 -149330.3971 301.0257 -183799.3213 -149231.7772 299.6734 -31.0191 3.0480 557647.0781 -7.6356 -7.6665 PRESSURE: 315000 -21.7999 -17.5351 36.1139 -17.5366 -42.9653 -148.658 36.1144 -148.657 28.8221 GPRESSURE: 315000 -10.2935 -4.84941 67.1996 -9.98423 10.0912 -166.048 119.637 -118.802 72.8301 PRESSAVG: 315000 40.0209 -0.243825 7.59449 -0.243809 -7.45482 -13.7749 7.5945 -13.7749 -3.68223 GPRESSAVG: 315000 40.2905 -1.0661 7.55738 1.8939 -8.15932 -13.6308 8.3079 -15.0698 -3.33022 TIMING: 315000 CPU: 909.896, 0.00289325/step Wall: 909.896, 0.00289325/step, 3.76524 hours remaining, 208.683594 MB of memory in use. ENERGY: 315000 759.7306 2054.0669 1916.9114 110.4184 -206591.3197 17934.8922 0.0000 0.0000 34405.2891 -149410.0109 300.4699 -183815.3000 -149318.4467 299.3015 -11.9810 24.2093 556679.7316 9.6279 9.6003 PRESSURE: 315200 143.484 15.4534 -77.6899 15.4538 -123.794 161.688 -77.6914 161.689 135.906 GPRESSURE: 315200 164.365 1.79145 12.3967 -11.9999 -130.323 131.238 -113.444 156.842 218.742 PRESSAVG: 315200 45.5134 4.94085 -39.1867 4.94082 -48.4617 -39.997 -39.1867 -39.997 1.32899 GPRESSAVG: 315200 46.125 3.77736 -39.8461 4.55757 -48.0166 -38.5389 -38.6734 -39.4091 0.770859 TIMING: 315200 CPU: 910.473, 0.00288499/step Wall: 910.473, 0.00288499/step, 3.75434 hours remaining, 208.683594 MB of memory in use. ENERGY: 315200 727.4483 2027.1395 1923.7054 124.8770 -206261.3301 17943.6582 0.0000 0.0000 34064.2329 -149450.2688 297.4914 -183514.5017 -149348.1898 298.9080 51.8652 84.2615 556239.6864 -0.5398 -0.3736 PRESSURE: 315400 165.318 47.9046 -44.1831 47.9055 179.498 114.948 -44.1828 114.948 -137.992 GPRESSURE: 315400 253.476 24.2321 43.6405 146.315 149.125 85.1363 -63.5154 128.37 -105.344 PRESSAVG: 315400 3.85444 -27.1259 22.4578 -27.1258 38.638 39.567 22.4578 39.567 -50.1987 GPRESSAVG: 315400 3.72378 -26.9875 22.3198 -27.5092 38.8823 39.4496 23.0093 40.6614 -50.0578 TIMING: 315400 CPU: 911.051, 0.0028925/step Wall: 911.051, 0.0028925/step, 3.76395 hours remaining, 208.683594 MB of memory in use. ENERGY: 315400 740.4612 2099.6939 1924.9722 109.7905 -206608.4107 17949.3420 0.0000 0.0000 34288.7505 -149495.4005 299.4522 -183784.1509 -149394.1315 298.1805 68.9412 99.0857 555800.0997 -2.5688 -2.4839 PRESSURE: 315600 74.5584 -34.9453 -200.669 -34.9461 10.7962 -49.4547 -200.669 -49.4555 77.6454 GPRESSURE: 315600 131.345 -56.3685 -238.603 -73.0687 27.6622 -17.3751 -196.202 -76.6137 94.1336 PRESSAVG: 315600 25.1819 16.9557 9.9 16.9557 -37.7276 -18.7901 9.89997 -18.7901 -39.5688 GPRESSAVG: 315600 24.0406 17.1195 9.88085 16.3302 -37.4886 -18.7883 9.33166 -20.0874 -38.5904 TIMING: 315600 CPU: 911.628, 0.00288461/step Wall: 911.628, 0.00288461/step, 3.75352 hours remaining, 208.683594 MB of memory in use. ENERGY: 315600 749.5757 2037.8595 1916.0729 111.0450 -206601.6087 18032.5001 0.0000 0.0000 34086.8222 -149667.7332 297.6887 -183754.5554 -149575.8875 297.9912 54.3333 84.3804 558029.5994 -17.3715 -17.3461 PRESSURE: 315800 -41.7086 95.8238 -33.0188 95.823 -72.3215 -114.756 -33.0196 -114.757 209.602 GPRESSURE: 315800 16.9325 76.1752 -79.265 91.4966 -36.8258 -160.951 16.1777 -142.271 208.996 PRESSAVG: 315800 14.676 -14.4974 24.6478 -14.4974 9.68463 -16.965 24.6478 -16.965 20.2209 GPRESSAVG: 315800 14.8564 -14.0011 25.9129 -14.454 9.52948 -18.788 22.5138 -17.9928 20.0935 TIMING: 315800 CPU: 912.204, 0.00287932/step Wall: 912.204, 0.00287932/step, 3.74647 hours remaining, 208.683594 MB of memory in use. ENERGY: 315800 743.8859 2003.5820 1929.5629 116.0636 -206815.5877 18122.6028 0.0000 0.0000 34299.4828 -149600.4076 299.5459 -183899.8904 -149502.2414 297.7500 31.8574 63.0341 558209.2268 14.8605 14.8264 PRESSURE: 316000 -181.422 67.8899 40.602 67.8904 -199.203 56.0496 40.6004 56.0491 -114.192 GPRESSURE: 316000 -188.974 11.9004 138.882 58.5998 -189.127 -42.2418 -83.5537 96.1439 -34.0869 PRESSAVG: 316000 -2.40881 -59.5986 3.22565 -59.5985 -42.7492 -23.6509 3.22558 -23.6511 41.2769 GPRESSAVG: 316000 -0.855971 -59.4614 1.93057 -60.7577 -41.8869 -23.0269 4.59951 -25.0573 38.9666 TIMING: 316000 CPU: 912.778, 0.00286727/step Wall: 912.778, 0.00286727/step, 3.73064 hours remaining, 208.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 316000 751.6846 2044.1178 1933.5323 111.2774 -206386.2492 17756.1519 0.0000 0.0000 34001.0126 -149788.4726 296.9393 -183789.4851 -149692.2172 298.0328 -164.9392 -137.3959 558269.3242 -1.2937 -1.2588 PRESSURE: 316200 -192.195 -76.374 43.4351 -76.3739 -99.7918 -75.342 43.4347 -75.343 163.771 GPRESSURE: 316200 -151.419 -168.922 38.2232 -64.0687 -95.1731 -45.3472 12.4972 -93.0321 221.659 PRESSAVG: 316200 77.9494 -32.5586 38.913 -32.5586 -119.69 -6.05874 38.9128 -6.05872 -5.61985 GPRESSAVG: 316200 76.3814 -32.0184 40.6197 -31.1936 -119.554 -5.72377 37.6086 -4.94121 -4.54011 TIMING: 316200 CPU: 913.353, 0.0028752/step Wall: 913.353, 0.0028752/step, 3.7408 hours remaining, 208.683594 MB of memory in use. ENERGY: 316200 737.1732 2057.6847 1949.0240 129.8228 -206519.8744 17815.3166 0.0000 0.0000 33975.5044 -149855.3488 296.7165 -183830.8532 -149754.5661 297.7803 -42.7387 -8.3114 556868.6975 -15.7867 -15.9043 LDB: ============= START OF LOAD BALANCING ============== 916.738 LDB: ============== END OF LOAD BALANCING =============== 916.739 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 916.74 LDB: ============= START OF LOAD BALANCING ============== 917.028 LDB: Largest compute 4820 load 0.023854 is 20.3% of average load 0.117795 LDB: Average compute 0.001717 is 1.5% of average load 0.117795 LDB: TIME 917.03 LOAD: AVG 0.117795 MAX 0.179589 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.977 MB LDB: TIME 917.03 LOAD: AVG 0.117795 MAX 0.179589 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: TIME 917.03 LOAD: AVG 0.117795 MAX 0.179589 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: ============== END OF LOAD BALANCING =============== 917.032 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 917.037 PRESSURE: 316400 -55.497 -84.8577 82.8391 -84.8571 -145.67 -143.444 82.8393 -143.445 -75.903 GPRESSURE: 316400 -25.295 -60.99 97.1866 -131.592 -120.386 -60.3558 7.00087 -179.281 -28.3435 PRESSAVG: 316400 29.1554 23.1098 -30.4103 23.1099 18.2409 23.9254 -30.4103 23.9254 -5.1514 GPRESSAVG: 316400 29.0534 22.6738 -30.4616 22.2013 17.4617 24.035 -28.511 23.2973 -4.72472 TIMING: 316400 CPU: 913.941, 0.00294175/step Wall: 913.941, 0.00294175/step, 3.82721 hours remaining, 205.800781 MB of memory in use. ENERGY: 316400 808.3851 2061.1766 1937.5451 104.0150 -206579.1612 17796.5136 0.0000 0.0000 34113.5612 -149757.9646 297.9222 -183871.5258 -149667.4129 297.3051 -92.3566 -58.0082 555353.5020 14.0816 13.9302 PRESSURE: 316600 -2.51886 -53.7071 -81.38 -53.7069 -306.722 -92.9727 -81.3802 -92.9725 -35.4084 GPRESSURE: 316600 13.1771 -63.1065 -64.3166 -31.3535 -293.726 -65.8429 -133.581 -12.543 16.4587 PRESSAVG: 316600 82.2705 22.0421 13.9943 22.0422 -25.1914 -36.4303 13.9943 -36.4303 -20.61 GPRESSAVG: 316600 82.9956 22.6568 14.9627 23.8488 -24.7623 -36.9156 14.2282 -33.6774 -21.9482 TIMING: 316600 CPU: 914.521, 0.00290065/step Wall: 914.521, 0.00290065/step, 3.77358 hours remaining, 205.800781 MB of memory in use. ENERGY: 316600 752.9204 2077.0105 1953.2315 118.0048 -206243.1920 17765.5778 0.0000 0.0000 34006.8006 -149569.6464 296.9898 -183576.4470 -149481.0276 297.6432 -114.8830 -88.0300 557121.3434 12.1563 12.0950 PRESSURE: 316800 152.485 62.2148 -36.8495 62.2155 -97.8492 116.233 -36.8491 116.233 -10.047 GPRESSURE: 316800 156.546 18.893 -83.5026 91.0855 -45.1517 49.1906 81.4667 67.2764 47.777 PRESSAVG: 316800 86.1625 48.9979 55.472 48.9979 28.0131 22.4333 55.4721 22.4332 -54.5724 GPRESSAVG: 316800 85.6504 48.7576 54.019 47.298 28.0376 21.4712 55.9801 20.0527 -53.9651 TIMING: 316800 CPU: 915.094, 0.00286657/step Wall: 915.094, 0.00286657/step, 3.72909 hours remaining, 205.800781 MB of memory in use. ENERGY: 316800 764.1323 2118.7646 1919.9754 112.2784 -206420.7619 17948.3390 0.0000 0.0000 34217.4413 -149339.8309 298.8294 -183557.2723 -149235.9975 298.4582 14.8629 53.0569 556895.1000 19.8678 19.9076 PRESSURE: 317000 -309.855 24.4848 107.383 24.4858 -366.614 -9.57745 107.386 -9.57626 -106.195 GPRESSURE: 317000 -253.494 -100.701 134.68 121.103 -334.978 -18.4311 114.977 44.3097 -105.629 PRESSAVG: 317000 -54.1574 51.452 18.9492 51.4518 -37.5929 -14.794 18.9492 -14.794 36.1784 GPRESSAVG: 317000 -53.9949 51.0319 18.6315 51.9584 -37.6621 -14.0928 16.4205 -13.2545 36.0516 TIMING: 317000 CPU: 915.669, 0.00287469/step Wall: 915.669, 0.00287469/step, 3.73949 hours remaining, 205.800781 MB of memory in use. ENERGY: 317000 776.6053 2076.8969 1913.4981 111.9155 -205837.9054 17563.8895 0.0000 0.0000 34218.4562 -149176.6439 298.8383 -183395.1001 -149077.4826 299.3735 -260.8878 -231.3669 559072.1203 -18.5240 -18.5351 PRESSURE: 317200 79.8978 -100.121 6.89224 -100.122 -101.092 -11.2829 6.8924 -11.2838 -136.835 GPRESSURE: 317200 96.3195 -139.245 52.4232 -84.6527 -37.5002 53.6857 -32.0636 38.1248 -106.913 PRESSAVG: 317200 21.3787 19.9671 5.97785 19.967 7.63145 -30.6042 5.9779 -30.6042 7.70527 GPRESSAVG: 317200 20.2594 18.1281 5.38409 22.4392 8.18602 -30.0914 7.03475 -29.7678 7.61541 TIMING: 317200 CPU: 916.248, 0.00289227/step Wall: 916.248, 0.00289227/step, 3.76221 hours remaining, 205.800781 MB of memory in use. ENERGY: 317200 742.0699 2053.7728 1951.9425 111.8089 -206293.9874 17849.8651 0.0000 0.0000 34340.5889 -149243.9393 299.9049 -183584.5282 -149140.7530 299.2433 -52.6763 -16.0311 557079.2391 12.2385 12.0203 PRESSURE: 317400 88.518 196.633 -15.8961 196.634 301.667 67.3646 -15.8968 67.3635 -258.538 GPRESSURE: 317400 50.9683 163.41 -61.5584 162.83 321.907 82.3217 13.3048 86.4327 -147.145 PRESSAVG: 317400 69.7201 65.6304 -14.9234 65.6305 -2.76322 24.0811 -14.9234 24.0811 -73.7496 GPRESSAVG: 317400 70.7213 67.8421 -12.0545 62.9048 -4.76553 24.0153 -14.6894 23.3013 -73.2443 TIMING: 317400 CPU: 916.825, 0.00288571/step Wall: 916.825, 0.00288571/step, 3.75351 hours remaining, 205.800781 MB of memory in use. ENERGY: 317400 740.8061 2107.6267 1940.2080 110.7151 -206531.0789 17836.6628 0.0000 0.0000 34380.0644 -149414.9958 300.2497 -183795.0602 -149321.5347 298.2303 43.8822 75.2436 557597.6003 -2.2642 -2.4295 PRESSURE: 317600 -82.7929 5.23908 17.4225 5.2394 -40.0248 30.6475 17.4207 30.6474 58.2939 GPRESSURE: 317600 -52.7496 -78.5157 17.8382 41.0528 -8.69122 87.2993 -3.14543 6.80896 102.546 PRESSAVG: 317600 -19.8707 -41.9993 15.9592 -41.9992 45.4476 6.91175 15.9593 6.91182 -26.7732 GPRESSAVG: 317600 -20.3784 -42.5955 15.2189 -43.5672 45.8106 8.15579 14.722 6.5083 -26.8704 TIMING: 317600 CPU: 917.401, 0.00287912/step Wall: 917.401, 0.00287912/step, 3.74478 hours remaining, 205.800781 MB of memory in use. ENERGY: 317600 713.5995 2065.3344 1930.5018 117.5294 -206040.4244 17771.4313 0.0000 0.0000 34207.5245 -149234.5035 298.7428 -183442.0280 -149131.3102 298.6543 -21.5079 13.7017 557095.9440 -0.3988 -0.4794 PRESSURE: 317800 112.293 202.732 68.1174 202.732 153.269 122.74 68.1164 122.741 -76.2257 GPRESSURE: 317800 157.003 223.588 99.8428 237.52 148.93 165.636 57.1909 136.193 -16.9117 PRESSAVG: 317800 39.031 40.7491 26.574 40.7491 11.0042 54.5279 26.5741 54.528 -53.0232 GPRESSAVG: 317800 38.1923 40.9534 27.193 41.7619 11.5525 52.4597 27.2065 55.6801 -52.9021 TIMING: 317800 CPU: 917.977, 0.00288029/step Wall: 917.977, 0.00288029/step, 3.74613 hours remaining, 205.800781 MB of memory in use. ENERGY: 317800 753.0169 2018.4804 1947.2139 114.6881 -206684.9038 18057.5158 0.0000 0.0000 34565.9297 -149228.0591 301.8729 -183793.9887 -149136.9681 299.1264 63.1120 96.3405 557265.7820 -0.9960 -1.0524 PRESSURE: 318000 285.139 -159.643 86.5151 -159.642 -164.664 -82.2373 86.517 -82.2392 -81.1301 GPRESSURE: 318000 340.577 -215.138 8.95597 -128.025 -99.1893 -134.434 14.7513 -20.3219 -111.148 PRESSAVG: 318000 55.3646 43.9819 7.80123 43.982 -14.5002 -9.08555 7.8012 -9.08575 -5.63463 GPRESSAVG: 318000 57.3498 44.3701 6.94554 43.2197 -14.6324 -8.20501 7.0036 -11.2638 -7.29077 TIMING: 318000 CPU: 918.555, 0.00288996/step Wall: 918.555, 0.00288996/step, 3.75856 hours remaining, 205.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 318000 733.5361 2040.9599 1949.5262 109.0442 -206114.5787 17865.3963 0.0000 0.0000 34150.1713 -149265.9446 298.2419 -183416.1160 -149171.1918 298.8811 13.1148 43.4131 557354.2178 11.7433 11.8089 PRESSURE: 318200 -127.298 30.9913 -73.9239 30.9919 -176.452 13.3912 -73.9249 13.3903 68.1943 GPRESSURE: 318200 -66.6412 -6.87504 -132.128 85.9814 -116.8 6.47158 -250.055 40.8184 33.8174 PRESSAVG: 318200 35.9434 -9.42075 6.90309 -9.42075 -46.2505 40.1168 6.90315 40.1168 30.3211 GPRESSAVG: 318200 35.4786 -10.0447 7.60103 -8.33467 -46.1366 39.2715 7.89555 41.9597 30.5572 TIMING: 318200 CPU: 919.13, 0.00287365/step Wall: 919.13, 0.00287365/step, 3.73718 hours remaining, 205.800781 MB of memory in use. ENERGY: 318200 767.0995 1981.0102 1944.4025 106.2566 -205853.1809 17623.7995 0.0000 0.0000 34335.2107 -149095.4019 299.8579 -183430.6126 -149002.4559 299.1689 -78.5188 -49.8747 557368.4700 6.6713 6.6331 PRESSURE: 318400 249.002 26.2733 -47.7187 26.2738 0.109067 -150.119 -47.719 -150.12 80.623 GPRESSURE: 318400 213.099 -24.513 -36.0218 -7.42354 56.6632 -151.237 -11.1207 -33.7468 161.855 PRESSAVG: 318400 -14.4507 25.8273 10.3703 25.8273 6.68926 8.7821 10.3703 8.78201 -51.7767 GPRESSAVG: 318400 -14.6234 25.2365 8.28966 26.694 6.22586 8.33212 10.0587 9.31829 -51.2387 TIMING: 318400 CPU: 919.706, 0.00288356/step Wall: 919.706, 0.00288356/step, 3.74991 hours remaining, 205.800781 MB of memory in use. ENERGY: 318400 768.3764 2048.5468 1940.7273 114.0885 -206491.3188 18056.1792 0.0000 0.0000 34391.1309 -149172.2697 300.3463 -183563.4007 -149070.5753 299.3740 109.9113 143.8725 556490.3884 -19.8461 -19.8787 PRESSURE: 318600 201.433 -45.2159 -198.473 -45.2167 -209.295 67.2541 -198.473 67.2531 -262.355 GPRESSURE: 318600 193.132 -72.1929 -158.137 -22.1501 -166.849 52.5881 -293.616 -7.66961 -202.548 PRESSAVG: 318600 73.1832 -23.123 -1.73168 -23.1231 -62.7904 14.559 -1.73167 14.559 -39.6464 GPRESSAVG: 318600 73.1582 -23.1552 0.227334 -20.8823 -62.3463 14.989 -1.32101 13.7357 -40.7617 TIMING: 318600 CPU: 920.285, 0.00289342/step Wall: 920.285, 0.00289342/step, 3.76258 hours remaining, 205.800781 MB of memory in use. ENERGY: 318600 763.4952 2050.5754 1952.0465 106.7306 -206018.7610 17693.8271 0.0000 0.0000 34351.9534 -149100.1328 300.0042 -183452.0862 -149001.6572 299.7141 -90.0725 -58.7552 556540.7372 -9.7512 -9.9833 PRESSURE: 318800 18.9063 44.368 -55.3735 44.369 -222.236 61.1943 -55.3744 61.193 -16.7894 GPRESSURE: 318800 51.0401 126.629 -31.9735 -64.9461 -171.279 43.7135 -61.1248 87.6785 1.26614 PRESSAVG: 318800 14.0117 23.8636 8.33344 23.8635 -83.9854 -1.15232 8.33351 -1.15233 78.883 GPRESSAVG: 318800 13.6692 26.3837 6.19101 20.2917 -83.6875 -0.775533 9.83974 0.495971 79.4179 TIMING: 318800 CPU: 920.861, 0.00288083/step Wall: 920.861, 0.00288083/step, 3.74604 hours remaining, 205.800781 MB of memory in use. ENERGY: 318800 765.1998 2111.5088 1937.1266 112.8953 -205925.8822 17496.1122 0.0000 0.0000 34686.2801 -148816.7594 302.9239 -183503.0395 -148722.4685 300.5916 -73.3730 -39.6575 556440.3695 2.9698 3.1332 PRESSURE: 319000 -223.17 64.3794 109.684 64.3792 -157.198 -28.971 109.683 -28.9719 -227.393 GPRESSURE: 319000 -204.836 53.571 198.731 18.8537 -89.5234 -51.3206 -25.7676 -99.818 -214.656 PRESSAVG: 319000 -14.6539 78.0518 31.9515 78.0517 62.8087 10.3902 31.9514 10.3901 20.9373 GPRESSAVG: 319000 -13.9189 76.0446 31.7002 80.0089 61.5701 8.87051 30.6401 8.03172 21.23 TIMING: 319000 CPU: 921.439, 0.00288921/step Wall: 921.439, 0.00288921/step, 3.75678 hours remaining, 205.800781 MB of memory in use. ENERGY: 319000 733.5839 2086.5284 1945.7539 109.2204 -205579.9750 17445.1932 0.0000 0.0000 34376.8911 -148882.8041 300.2219 -183259.6952 -148783.3480 301.2666 -202.5870 -169.6719 557548.8694 23.0307 22.9604 PRESSURE: 319200 172.644 -102.853 -86.9219 -102.853 218.786 2.45632 -86.9224 2.45718 -216.647 GPRESSURE: 319200 160.583 -68.8701 -69.9581 -90.4937 263.903 5.92937 -20.1892 -3.12812 -152.7 PRESSAVG: 319200 49.6112 19.8006 -36.0603 19.8006 35.6551 35.4275 -36.0603 35.4277 -84.9927 GPRESSAVG: 319200 48.901 17.7872 -35.9871 20.0721 35.5659 36.4601 -35.4456 36.8955 -84.585 TIMING: 319200 CPU: 922.014, 0.00287727/step Wall: 922.014, 0.00287727/step, 3.74109 hours remaining, 205.800781 MB of memory in use. ENERGY: 319200 723.3682 2109.0676 1934.7109 116.0388 -206194.6583 17687.5657 0.0000 0.0000 34557.5419 -149066.3652 301.7996 -183623.9071 -148969.3092 299.7419 58.2611 90.5956 556031.0594 0.0912 -0.0394 PRESSURE: 319400 -65.2213 33.1446 -34.2001 33.1448 76.564 -77.0083 -34.2005 -77.0102 -152.688 GPRESSURE: 319400 33.9833 57.291 -31.9012 0.200889 78.3618 -2.2119 -51.7775 -106.058 -157.486 PRESSAVG: 319400 -3.11333 7.52418 21.748 7.52422 44.1959 41.9402 21.748 41.9401 -9.29759 GPRESSAVG: 319400 -4.22334 10.3044 22.2826 6.67273 44.7324 41.4379 22.0062 41.458 -8.95593 TIMING: 319400 CPU: 922.59, 0.00287887/step Wall: 922.59, 0.00287887/step, 3.743 hours remaining, 205.800781 MB of memory in use. ENERGY: 319400 734.9936 2128.0686 1953.9926 121.8574 -205986.6392 17785.9642 0.0000 0.0000 34220.1313 -149041.6314 298.8529 -183261.7628 -148949.0517 299.8967 -47.1152 -15.0468 557034.9576 10.5950 10.5177 PRESSURE: 319600 -208.114 2.59805 97.5314 2.59799 -66.7232 30.1901 97.5323 30.1903 -159.204 GPRESSURE: 319600 -124.546 52.5273 106.134 -5.19636 -61.2161 95.3215 7.20554 22.14 -131.273 PRESSAVG: 319600 -17.8345 -3.33033 25.8292 -3.33029 67.4427 -25.0891 25.8293 -25.089 -60.8622 GPRESSAVG: 319600 -17.0913 -1.81269 25.3287 -3.7641 67.6093 -22.8817 24.9541 -27.0286 -62.1284 TIMING: 319600 CPU: 923.167, 0.00288153/step Wall: 923.167, 0.00288153/step, 3.74631 hours remaining, 205.800781 MB of memory in use. ENERGY: 319600 780.4557 2052.6576 1959.9972 131.2291 -205890.1851 17756.4761 0.0000 0.0000 34267.8458 -148941.5235 299.2696 -183209.3693 -148837.5147 299.8230 -144.6805 -105.6782 557809.2132 -3.7513 -3.8701 PRESSURE: 319800 -136.176 -51.3207 36.3287 -51.3224 -165.265 -138.729 36.3266 -138.729 -158.607 GPRESSURE: 319800 -62.3563 -82.7927 12.0762 -15.062 -194.778 -149.571 -17.4281 -80.3323 -108.586 PRESSAVG: 319800 -23.5476 23.3916 -37.5478 23.3916 63.4837 77.5122 -37.5479 77.5121 0.0769628 GPRESSAVG: 319800 -23.2477 21.7723 -35.8598 24.32 62.9869 75.8439 -37.0173 77.9931 -0.0445301 TIMING: 319800 CPU: 923.743, 0.00288082/step Wall: 923.743, 0.00288082/step, 3.74523 hours remaining, 205.800781 MB of memory in use. ENERGY: 319800 777.6459 2104.3764 1943.8941 108.3382 -206293.4556 17730.1889 0.0000 0.0000 34655.0610 -148973.9510 302.6513 -183629.0120 -148877.9239 300.2684 -153.3492 -121.9067 557422.1101 13.3377 13.2316 PRESSURE: 320000 -289.614 45.6433 -191.834 45.6444 -296.743 -5.32433 -191.834 -5.32352 -133.745 GPRESSURE: 320000 -267.511 70.3658 -134.414 72.5262 -278.304 -81.4787 -183.613 101.668 -84.6221 PRESSAVG: 320000 -0.636869 -14.3611 -37.9233 -14.3609 -65.9414 -21.8435 -37.9233 -21.8435 49.9629 GPRESSAVG: 320000 -1.97331 -14.0619 -38.9938 -14.3507 -65.8255 -23.2464 -37.3845 -19.6943 50.7128 TIMING: 320000 CPU: 924.315, 0.00286287/step Wall: 924.315, 0.00286287/step, 3.72173 hours remaining, 205.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 320000 790.8547 2040.5536 1941.2804 111.9479 -205808.0345 17634.0951 0.0000 0.0000 34237.7560 -149051.5469 299.0068 -183289.3028 -148950.1191 300.4598 -240.0343 -210.1458 558821.5670 -5.5385 -5.6953 PRESSURE: 320200 -242.114 -233.082 79.8132 -233.081 -122.267 -70.3111 79.8133 -70.3104 -28.6868 GPRESSURE: 320200 -210.704 -160.415 76.7583 -237.755 -50.4583 82.2084 30.1963 -25.4743 -34.8893 PRESSAVG: 320200 -69.9064 -71.9158 19.2661 -71.9158 57.1243 14.6084 19.2661 14.6084 -1.60747 GPRESSAVG: 320200 -68.3125 -73.1222 18.5476 -71.1913 56.7351 17.2251 18.8726 14.3103 -2.30929 TIMING: 320200 CPU: 924.892, 0.0028837/step Wall: 924.892, 0.0028837/step, 3.74865 hours remaining, 205.800781 MB of memory in use. ENERGY: 320200 750.5525 2117.5996 1936.0098 109.1231 -205786.2216 17514.7209 0.0000 0.0000 34155.3278 -149202.8879 298.2870 -183358.2158 -149106.6179 299.9479 -131.0226 -98.6838 558109.3462 -4.7965 -4.6289 LDB: ============= START OF LOAD BALANCING ============== 928.275 LDB: ============== END OF LOAD BALANCING =============== 928.276 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 928.277 LDB: ============= START OF LOAD BALANCING ============== 928.565 LDB: Largest compute 4822 load 0.025197 is 21.4% of average load 0.117825 LDB: Average compute 0.001718 is 1.5% of average load 0.117825 LDB: TIME 928.568 LOAD: AVG 0.117825 MAX 0.179247 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 928.568 LOAD: AVG 0.117825 MAX 0.179247 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: TIME 928.568 LOAD: AVG 0.117825 MAX 0.179247 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 928.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 928.574 PRESSURE: 320400 -51.5699 31.3376 -46.0931 31.3378 -212.515 69.4925 -46.0922 69.4908 20.787 GPRESSURE: 320400 -42.7122 31.9602 -22.7604 30.7141 -196.06 7.4649 19.4823 100.133 79.2099 PRESSAVG: 320400 19.3561 -68.0981 -7.71992 -68.0981 21.6626 -32.7706 -7.71985 -32.7706 -3.95216 GPRESSAVG: 320400 18.9765 -68.7534 -7.9736 -69.7349 22.2867 -33.7581 -8.08537 -32.7416 -3.98036 TIMING: 320400 CPU: 925.479, 0.0029335/step Wall: 925.479, 0.0029335/step, 3.81322 hours remaining, 205.277344 MB of memory in use. ENERGY: 320400 756.9107 2110.2038 1943.0402 129.3087 -206056.1856 17524.9831 0.0000 0.0000 34276.7409 -149314.9980 299.3473 -183591.7390 -149212.3351 299.4650 -81.0994 -53.1873 557813.8991 12.3555 12.4276 PRESSURE: 320600 -158.842 -121.981 -56.9764 -121.981 -37.2653 26.5024 -56.9765 26.5034 136.499 GPRESSURE: 320600 -83.1902 -207.336 -12.5861 -105.694 -7.63737 -10.2747 -117.435 33.3935 121.221 PRESSAVG: 320600 -49.5372 2.57252 -14.6242 2.57257 -24.9778 -18.4674 -14.6242 -18.4673 67.2144 GPRESSAVG: 320600 -49.6593 3.80359 -13.7185 3.26364 -24.6913 -19.444 -13.7073 -19.2434 67.3257 TIMING: 320600 CPU: 926.053, 0.00287102/step Wall: 926.053, 0.00287102/step, 3.73185 hours remaining, 205.277344 MB of memory in use. ENERGY: 320600 747.1807 2066.3428 1936.6128 111.2429 -206073.7601 17823.2989 0.0000 0.0000 34297.7379 -149091.3441 299.5307 -183389.0820 -148998.0331 299.6619 -19.8695 10.1311 558289.4605 -2.4335 -2.3416 PRESSURE: 320800 -126.221 -36.6907 65.6154 -36.6905 -124.622 18.2918 65.6172 18.2921 -5.90099 GPRESSURE: 320800 -128.04 -63.4662 81.4461 -12.6984 -92.8456 6.51114 109.992 81.2307 70.2539 PRESSAVG: 320800 24.7712 -28.0135 24.807 -28.0135 -38.7097 31.6951 24.8069 31.695 50.5631 GPRESSAVG: 320800 24.3963 -29.2491 22.9126 -26.8215 -39.634 32.5748 26.2129 31.9632 52.4641 TIMING: 320800 CPU: 926.626, 0.0028654/step Wall: 926.626, 0.0028654/step, 3.72439 hours remaining, 205.277344 MB of memory in use. ENERGY: 320800 743.0159 2079.9305 1934.8991 120.8850 -206022.8263 17577.0988 0.0000 0.0000 34536.2571 -149030.7399 301.6137 -183566.9971 -148932.7546 299.2835 -85.5815 -50.2106 557569.5924 12.2082 12.4088 PRESSURE: 321000 -233.561 -102.319 -39.8328 -102.318 -290.831 36.3815 -39.8323 36.3812 -2.56724 GPRESSURE: 321000 -220.274 -92.6961 -25.5727 -177.092 -208.447 64.3894 -32.6509 -47.0211 2.46295 PRESSAVG: 321000 -6.44478 -44.3895 52.4418 -44.3894 -32.7179 23.4987 52.4418 23.4987 28.3758 GPRESSAVG: 321000 -6.51752 -44.5212 55.1868 -45.6984 -31.9032 21.7735 49.7191 24.519 27.424 TIMING: 321000 CPU: 927.203, 0.00288341/step Wall: 927.203, 0.00288341/step, 3.74764 hours remaining, 205.277344 MB of memory in use. ENERGY: 321000 753.0719 2101.5304 1943.4267 108.9529 -206137.5323 17552.2055 0.0000 0.0000 34480.3684 -149197.9764 301.1256 -183678.3448 -149096.2026 300.0109 -175.6530 -142.0860 556296.6707 -3.5956 -3.6655 PRESSURE: 321200 196.268 -61.7409 -39.1815 -61.7417 44.8495 42.4337 -39.1814 42.4312 -183.451 GPRESSURE: 321200 179.093 -79.2342 39.414 -34.746 68.7764 53.5038 -43.6034 144.267 -92.8458 PRESSAVG: 321200 -30.0978 -32.7228 9.10555 -32.7227 7.18671 29.9309 9.10557 29.9309 3.83136 GPRESSAVG: 321200 -29.7857 -32.6339 6.19637 -32.4333 6.69672 30.7008 11.9149 29.4213 3.59797 TIMING: 321200 CPU: 927.782, 0.0028978/step Wall: 927.782, 0.0028978/step, 3.76618 hours remaining, 205.277344 MB of memory in use. ENERGY: 321200 764.2338 2079.1536 1961.2849 111.1871 -205984.2346 17647.6451 0.0000 0.0000 34273.2657 -149147.4644 299.3170 -183420.7301 -149052.0043 299.2726 19.2223 51.6747 556823.5621 -6.3599 -6.4970 PRESSURE: 321400 -89.8794 -60.2085 130.373 -60.2079 33.8775 -67.4166 130.373 -67.4172 262.623 GPRESSURE: 321400 -37.2141 -50.4577 48.8239 -80.9701 73.991 -38.1849 212.006 -129.985 252.412 PRESSAVG: 321400 -13.4034 -3.32925 -2.20152 -3.32924 37.8419 -0.872318 -2.20157 -0.872362 -7.90636 GPRESSAVG: 321400 -13.5403 -1.8758 -0.869881 -2.78433 37.0428 0.229885 -3.1101 -0.571982 -6.72102 TIMING: 321400 CPU: 928.36, 0.00288896/step Wall: 928.36, 0.00288896/step, 3.75453 hours remaining, 205.277344 MB of memory in use. ENERGY: 321400 786.3715 2136.7194 1936.3565 123.3988 -205972.1944 17816.7609 0.0000 0.0000 34150.2872 -149022.3001 298.2430 -183172.5873 -148930.5088 299.5602 68.8735 96.3964 556263.9149 5.5107 5.5938 PRESSURE: 321600 -311.893 118.614 40.4716 118.615 -170.841 -17.0722 40.4715 -17.0736 -391.261 GPRESSURE: 321600 -241.599 221.445 38.3737 132.792 -136.383 -85.6825 47.8987 50.7576 -395.906 PRESSAVG: 321600 0.140209 -19.3404 0.51753 -19.3404 28.7613 -32.4168 0.517365 -32.4168 12.4973 GPRESSAVG: 321600 -0.0124122 -19.5055 0.0579534 -19.5568 29.3824 -32.4789 0.0297346 -34.2807 12.2702 TIMING: 321600 CPU: 928.936, 0.00287997/step Wall: 928.936, 0.00287997/step, 3.74268 hours remaining, 205.277344 MB of memory in use. ENERGY: 321600 777.3731 2085.1490 1911.5476 116.6817 -206077.7842 17494.8799 0.0000 0.0000 34555.4547 -149136.6982 301.7814 -183692.1529 -149029.6508 300.0132 -291.3317 -257.9627 558168.0318 13.7996 13.8801 PRESSURE: 321800 -210.318 104.159 25.9169 104.158 -339.701 37.6713 25.9165 37.6724 -220.036 GPRESSURE: 321800 -116.755 62.9399 11.6926 116.257 -307.494 70.1767 183.766 17.1847 -247.323 PRESSAVG: 321800 25.0618 -9.17015 12.777 -9.17013 -28.3031 25.3396 12.777 25.3396 -27.2567 GPRESSAVG: 321800 24.5326 -10.0796 11.869 -9.21549 -28.8069 24.145 13.5706 27.6563 -26.7262 TIMING: 321800 CPU: 929.517, 0.00290603/step Wall: 929.517, 0.00290603/step, 3.77639 hours remaining, 205.277344 MB of memory in use. ENERGY: 321800 739.6560 2154.7586 1939.6494 116.4832 -205776.9029 17544.6995 0.0000 0.0000 34069.9947 -149211.6616 297.5417 -183281.6562 -149118.3900 299.3173 -256.6851 -223.8574 559329.7544 -10.1660 -10.3335 PRESSURE: 322000 -43.391 50.5454 -154.199 50.5444 -0.0729973 5.5037 -154.199 5.50361 47.4116 GPRESSURE: 322000 62.6848 49.5303 -69.7284 79.7535 1.81435 -5.30741 -157.608 86.0488 36.3964 PRESSAVG: 322000 -55.932 -9.9267 32.7723 -9.92669 59.8342 -2.9981 32.7723 -2.99828 6.79844 GPRESSAVG: 322000 -54.8364 -7.73708 35.8004 -10.427 60.5931 -3.10354 32.8774 -3.85862 4.80662 TIMING: 322000 CPU: 930.092, 0.00287254/step Wall: 930.092, 0.00287254/step, 3.73271 hours remaining, 205.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 322000 755.9083 2080.6084 1937.1393 109.3754 -206360.6146 17829.1226 0.0000 0.0000 34322.9917 -149325.4690 299.7512 -183648.4607 -149231.3865 299.1647 1.3159 33.6318 558075.6939 3.5669 3.5211 PRESSURE: 322200 -209.731 24.1439 233.171 24.143 -284.868 -59.1144 233.171 -59.1132 -368.636 GPRESSURE: 322200 -146.823 -4.23999 200.2 -26.0546 -245.284 -64.0179 243.206 -69.4731 -365.767 PRESSAVG: 322200 0.935017 24.4357 42.0349 24.4358 42.7189 3.59166 42.0348 3.5917 -21.0992 GPRESSAVG: 322200 0.643732 22.979 40.6691 26.3879 43.6467 5.26726 41.6617 3.4677 -21.6108 TIMING: 322200 CPU: 930.667, 0.00287538/step Wall: 930.667, 0.00287538/step, 3.73624 hours remaining, 205.277344 MB of memory in use. ENERGY: 322200 767.4813 2065.5688 1934.8404 104.8928 -206228.0284 17546.4640 0.0000 0.0000 34302.7834 -149505.9976 299.5747 -183808.7810 -149410.0796 298.7360 -287.7449 -252.6245 557536.3019 7.5182 7.5599 PRESSURE: 322400 -19.7123 -119.457 81.1055 -119.457 100.091 -229.698 81.1061 -229.696 -206.77 GPRESSURE: 322400 34.5087 -207.986 39.6358 -85.0579 155.303 -260.118 76.6316 -194.068 -212.623 PRESSAVG: 322400 -48.2988 24.9184 16.0786 24.9182 9.61 8.1625 16.0787 8.16237 5.03503 GPRESSAVG: 322400 -46.9436 25.3519 14.8357 24.6503 8.38369 5.24175 14.4864 7.78688 5.70714 TIMING: 322400 CPU: 931.241, 0.00287299/step Wall: 931.241, 0.00287299/step, 3.73297 hours remaining, 205.277344 MB of memory in use. ENERGY: 322400 754.1781 2105.6572 1949.5906 110.8855 -206774.5509 18194.0090 0.0000 0.0000 34053.0703 -149607.1601 297.3939 -183660.2304 -149519.0547 297.8787 -42.1305 -7.6037 557703.3920 -11.2179 -10.9509 PRESSURE: 322600 17.0682 232.204 194.626 232.205 -148.672 -125.792 194.626 -125.794 -20.4433 GPRESSURE: 322600 29.6536 260.553 142.92 230.246 -126.217 -88.0928 231.506 -181.638 45.727 PRESSAVG: 322600 -54.745 -16.7655 56.6815 -16.7655 33.5813 -41.4584 56.6816 -41.4584 32.9541 GPRESSAVG: 322600 -56.3641 -14.8385 57.4659 -18.4614 33.6758 -39.1332 58.1235 -43.6374 34.8058 TIMING: 322600 CPU: 931.815, 0.00286548/step Wall: 931.815, 0.00286548/step, 3.72305 hours remaining, 205.277344 MB of memory in use. ENERGY: 322600 740.3620 2156.8077 1915.2362 120.8046 -206615.6222 17902.4022 0.0000 0.0000 34261.0235 -149518.9859 299.2100 -183780.0094 -149422.9375 298.1024 -50.6825 -16.9454 557374.3008 3.9301 4.0391 PRESSURE: 322800 -93.2663 36.499 126.244 36.4995 -108.049 -75.4905 126.245 -75.4921 -20.3279 GPRESSURE: 322800 -34.6713 33.0599 99.584 -12.4047 -117.314 -119.853 118.279 -15.9871 35.6472 PRESSAVG: 322800 43.4825 -20.21 -26.6096 -20.21 46.7428 7.53986 -26.6097 7.53985 -71.6469 GPRESSAVG: 322800 44.5707 -22.8986 -24.9901 -20.584 47.6965 7.50415 -28.7051 9.63825 -73.7676 TIMING: 322800 CPU: 932.392, 0.00288683/step Wall: 932.392, 0.00288683/step, 3.75064 hours remaining, 205.277344 MB of memory in use. ENERGY: 322800 773.9891 2098.1750 1953.3927 115.3971 -206314.8433 17757.8964 0.0000 0.0000 34185.5011 -149430.4919 298.5505 -183615.9930 -149331.9815 298.3938 -73.8812 -38.7795 557877.0775 6.1928 6.1665 PRESSURE: 323000 33.7662 104.83 76.4924 104.829 -546.606 -16.0505 76.4918 -16.0514 -128.881 GPRESSURE: 323000 120.021 176.559 145.077 92.5518 -515.522 37.5253 105.882 -38.6046 -143.144 PRESSAVG: 323000 61.4242 -21.1717 -2.85799 -21.1717 -44.2108 -29.1789 -2.85806 -29.1788 -29.0528 GPRESSAVG: 323000 61.1449 -18.6592 -3.61487 -20.8749 -42.87 -29.5427 -3.03422 -29.5199 -29.9186 TIMING: 323000 CPU: 932.973, 0.00290369/step Wall: 932.973, 0.00290369/step, 3.77238 hours remaining, 205.277344 MB of memory in use. ENERGY: 323000 724.4433 2080.1521 1944.5700 113.9987 -206275.8241 17680.9538 0.0000 0.0000 34448.0458 -149283.6604 300.8434 -183731.7062 -149186.8318 298.7608 -213.9072 -179.5485 558657.0857 -3.9465 -3.8813 PRESSURE: 323200 -383.02 -92.1027 -24.6508 -92.104 48.3992 -135.21 -24.6504 -135.209 59.3223 GPRESSURE: 323200 -288.692 -64.3628 -17.5981 -144.239 39.3808 -127.295 -1.65689 -101.413 77.0091 PRESSAVG: 323200 64.516 -23.0814 6.98276 -23.0813 -45.6082 18.8815 6.98272 18.8816 -5.54136 GPRESSAVG: 323200 64.7666 -24.8777 6.1521 -22.816 -46.7862 18.375 9.0722 18.9793 -3.94165 TIMING: 323200 CPU: 933.555, 0.00290997/step Wall: 933.555, 0.00290997/step, 3.78037 hours remaining, 205.277344 MB of memory in use. ENERGY: 323200 739.3806 2123.4019 1952.7778 116.5225 -206008.9907 17612.6479 0.0000 0.0000 34045.5433 -149418.7167 297.3282 -183464.2600 -149323.8431 298.7748 -91.7663 -57.4341 558918.6177 4.4555 4.6796 PRESSURE: 323400 39.9886 -55.7881 -2.8056 -55.7891 17.5723 -10.7124 -2.8056 -10.7121 -101.379 GPRESSURE: 323400 27.4896 39.0349 18.5805 -105.692 92.1979 -19.4336 -63.8187 7.65039 -71.0511 PRESSAVG: 323400 -19.8784 -55.5918 -7.25571 -55.5918 33.1823 -32.6913 -7.25572 -32.6913 25.4949 GPRESSAVG: 323400 -20.3481 -56.0482 -7.78919 -55.8531 32.8756 -33.91 -9.33572 -32.387 25.7547 TIMING: 323400 CPU: 934.134, 0.00289578/step Wall: 934.134, 0.00289578/step, 3.76177 hours remaining, 205.277344 MB of memory in use. ENERGY: 323400 702.5289 2098.8924 1947.2712 130.5913 -206449.2147 17895.5029 0.0000 0.0000 34151.2691 -149523.1588 298.2515 -183674.4279 -149418.0230 298.6697 -14.6062 16.2121 558441.3313 12.9330 12.7607 PRESSURE: 323600 167.444 10.1065 83.6247 10.1073 138.144 9.01215 83.6258 9.01193 133.523 GPRESSURE: 323600 216.149 24.6305 -46.6718 -69.1431 97.6196 66.3602 161.127 -63.8115 210.281 PRESSAVG: 323600 -16.8429 -33.0568 25.3193 -33.0568 68.9076 -12.0973 25.3194 -12.0974 -40.2229 GPRESSAVG: 323600 -15.9218 -30.1292 25.1647 -32.6274 69.2632 -12.0649 26.8053 -10.5991 -41.4214 TIMING: 323600 CPU: 934.706, 0.0028595/step Wall: 934.706, 0.0028595/step, 3.71449 hours remaining, 205.277344 MB of memory in use. ENERGY: 323600 731.0128 2100.6241 1934.7851 107.4534 -206539.0573 18099.1107 0.0000 0.0000 34098.5527 -149467.5185 297.7911 -183566.0712 -149369.5448 298.6431 146.3705 174.6834 557058.6908 3.9473 3.9733 PRESSURE: 323800 121.299 -7.1571 88.8423 -7.1569 113.737 -100.816 88.8426 -100.816 461.14 GPRESSURE: 323800 192.256 -47.2125 181.094 17.0545 128.301 -52.2655 15.2262 -135.874 467.134 PRESSAVG: 323800 -24.6997 -54.8374 78.2159 -54.8374 -1.50727 -11.6702 78.216 -11.6701 -25.2955 GPRESSAVG: 323800 -26.5051 -57.6807 78.3345 -53.9227 -0.786838 -10.8685 78.1367 -14.527 -23.5851 TIMING: 323800 CPU: 935.278, 0.00286299/step Wall: 935.278, 0.00286299/step, 3.71886 hours remaining, 205.277344 MB of memory in use. ENERGY: 323800 731.8489 2065.0382 1928.8407 122.8683 -206507.9294 18010.8316 0.0000 0.0000 34242.1981 -149406.3036 299.0456 -183648.5017 -149305.6508 298.4174 232.0588 262.5640 555145.3194 -17.1675 -16.9590 PRESSURE: 324000 -140.875 -50.2727 -17.9024 -50.2733 231.462 93.4173 -17.9023 93.4175 -100.394 GPRESSURE: 324000 -58.731 -40.9956 -111.537 -14.8811 256.492 46.1399 -19.5971 67.8155 -97.7232 PRESSAVG: 324000 -61.6556 15.0905 32.7758 15.0905 44.7156 -18.028 32.7758 -18.028 6.82635 GPRESSAVG: 324000 -59.1679 15.8165 35.9221 14.2829 44.1568 -18.1052 30.7021 -17.186 4.89936 TIMING: 324000 CPU: 935.856, 0.00288954/step Wall: 935.856, 0.00288954/step, 3.75319 hours remaining, 205.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 324000 716.9815 2179.8165 1935.4759 119.2192 -206175.4721 17641.7871 0.0000 0.0000 34315.6184 -149266.5735 299.6868 -183582.1919 -149170.7560 299.2671 -3.2691 33.3460 556451.5014 -3.3712 -3.3706 PRESSURE: 324200 -265.592 3.03721 99.2629 3.03878 -8.10247 -186.112 99.264 -186.111 49.09 GPRESSURE: 324200 -196.759 -1.30821 97.419 35.4774 13.9461 -181.817 130.703 -86.4869 59.8964 PRESSAVG: 324200 -11.2876 36.3562 43.8329 36.3561 3.37738 25.7053 43.833 25.7052 22.5467 GPRESSAVG: 324200 -13.0112 34.3946 41.4239 38.406 4.37764 25.4127 44.756 26.4768 23.2098 TIMING: 324200 CPU: 936.433, 0.00288646/step Wall: 936.433, 0.00288646/step, 3.74903 hours remaining, 205.277344 MB of memory in use. ENERGY: 324200 771.7326 2111.6289 1932.0298 110.3138 -206255.6843 17838.7031 0.0000 0.0000 34148.5014 -149342.7746 298.2274 -183491.2760 -149249.8676 299.2742 -74.8683 -40.9722 557749.6648 4.8788 4.8587 LDB: ============= START OF LOAD BALANCING ============== 939.817 LDB: ============== END OF LOAD BALANCING =============== 939.817 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 939.818 LDB: ============= START OF LOAD BALANCING ============== 940.106 LDB: Largest compute 4822 load 0.024636 is 20.9% of average load 0.117784 LDB: Average compute 0.001714 is 1.5% of average load 0.117784 LDB: TIME 940.108 LOAD: AVG 0.117784 MAX 0.179864 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.336 MB LDB: TIME 940.109 LOAD: AVG 0.117784 MAX 0.179864 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.336 MB LDB: TIME 940.109 LOAD: AVG 0.117784 MAX 0.179864 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 940.111 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 940.115 PRESSURE: 324400 -41.0447 100.572 136.583 100.572 66.7536 -61.1971 136.583 -61.1978 164.318 GPRESSURE: 324400 -9.26227 95.8193 42.7583 -0.484159 113.473 -126.785 87.0682 -20.8341 185.394 PRESSAVG: 324400 -6.57396 25.9425 53.7938 25.9425 9.3745 32.4984 53.7937 32.4984 46.6055 GPRESSAVG: 324400 -5.68129 30.9558 52.2995 21.707 9.10403 33.7853 54.0413 30.6179 46.143 TIMING: 324400 CPU: 937.02, 0.00293166/step Wall: 937.02, 0.00293166/step, 3.80757 hours remaining, 207.316406 MB of memory in use. ENERGY: 324400 743.2141 2076.0549 1948.2798 116.8956 -206809.5865 18221.4042 0.0000 0.0000 34285.2796 -149418.4582 299.4219 -183703.7379 -149319.9160 298.6106 63.3423 96.5349 557417.7339 16.4687 16.5219 PRESSURE: 324600 132.941 -73.1497 66.486 -73.1492 -4.69008 -109.279 66.4852 -109.278 76.561 GPRESSURE: 324600 178.474 -104.24 4.55891 -102.607 0.982023 46.7843 149.084 -213.747 106.336 PRESSAVG: 324600 -55.1892 4.11602 -16.7658 4.11598 60.7365 -37.1025 -16.7657 -37.1024 26.385 GPRESSAVG: 324600 -54.4858 1.28522 -15.5357 5.76861 59.5736 -38.7159 -18.4307 -37.5002 26.6401 TIMING: 324600 CPU: 937.595, 0.00287631/step Wall: 937.595, 0.00287631/step, 3.73552 hours remaining, 207.316406 MB of memory in use. ENERGY: 324600 759.4700 2111.5180 1970.4957 120.7381 -206471.4836 17882.9049 0.0000 0.0000 34198.7230 -149427.6339 298.6660 -183626.3569 -149331.6289 298.6969 68.2706 95.2640 556221.2731 10.6441 10.5760 PRESSURE: 324800 -154.576 -142.398 83.9721 -142.397 -180.813 88.4824 83.972 88.4813 -162.804 GPRESSURE: 324800 -109.544 -125.076 61.6965 -59.8214 -156.517 82.9498 132.079 77.4851 -131.954 PRESSAVG: 324800 8.89475 -0.596038 35.1503 -0.595987 15.5235 -35.0249 35.1505 -35.025 -0.891518 GPRESSAVG: 324800 7.3242 -0.712412 34.2601 0.383759 17.3942 -33.224 36.5983 -35.7419 -0.876842 TIMING: 324800 CPU: 938.169, 0.00286799/step Wall: 938.169, 0.00286799/step, 3.72457 hours remaining, 207.316406 MB of memory in use. ENERGY: 324800 757.0184 2150.3335 1946.5294 113.7538 -205944.6707 17562.7815 0.0000 0.0000 34022.8486 -149391.4056 297.1300 -183414.2542 -149293.0168 298.6054 -166.0643 -132.6714 559025.6048 7.8422 7.9472 PRESSURE: 325000 133.191 -165.221 10.2906 -165.22 -239.554 -14.1891 10.2891 -14.1894 175.161 GPRESSURE: 325000 174.515 -228.988 52.1153 -66.4633 -243.068 -47.0205 -16.5937 -44.8234 239.727 PRESSAVG: 325000 4.94068 5.35971 -28.9812 5.35962 24.9766 40.3475 -28.9811 40.3475 -23.8735 GPRESSAVG: 325000 4.89532 4.88668 -29.4952 5.0231 25.8572 39.8404 -28.0308 40.8887 -24.4108 TIMING: 325000 CPU: 938.743, 0.00287396/step Wall: 938.743, 0.00287396/step, 3.73215 hours remaining, 207.316406 MB of memory in use. ENERGY: 325000 739.1120 2157.8225 1953.2097 106.4210 -206345.2195 17893.3870 0.0000 0.0000 34080.1726 -149415.0947 297.6306 -183495.2673 -149320.5312 298.4655 22.9328 57.0579 557367.1367 2.0146 2.1139 PRESSURE: 325200 -73.6624 100.37 -163.666 100.371 178.42 59.6616 -163.666 59.6612 47.365 GPRESSURE: 325200 -29.8909 65.6547 -145.688 131.056 209.192 94.9467 -168.955 68.6786 63.4273 PRESSAVG: 325200 -54.1063 54.7697 -5.50863 54.7697 -7.12296 18.4259 -5.50874 18.426 23.4935 GPRESSAVG: 325200 -53.8286 54.3818 -4.1948 55.2907 -7.60974 18.4209 -7.31316 19.166 23.7814 TIMING: 325200 CPU: 939.32, 0.00288318/step Wall: 939.32, 0.00288318/step, 3.74397 hours remaining, 207.316406 MB of memory in use. ENERGY: 325200 689.5448 2099.8507 1952.6225 127.7141 -206456.0539 18004.2098 0.0000 0.0000 34265.8428 -149316.2691 299.2521 -183582.1119 -149213.1015 298.8540 50.7076 80.9094 558876.9695 -12.5786 -12.5523 PRESSURE: 325400 34.5791 12.2463 -178.239 12.2458 169.351 119.759 -178.238 119.76 -113.805 GPRESSURE: 325400 50.1604 16.9722 -120.094 -105.963 227.691 104.994 -156.496 167.902 -104.206 PRESSAVG: 325400 -6.07629 -78.8878 -16.6985 -78.8878 100.508 15.7719 -16.6986 15.7719 -62.1259 GPRESSAVG: 325400 -5.97983 -78.26 -15.0552 -80.4185 99.4498 13.4854 -16.3877 19.0709 -61.4991 TIMING: 325400 CPU: 939.895, 0.00287617/step Wall: 939.895, 0.00287617/step, 3.73471 hours remaining, 207.316406 MB of memory in use. ENERGY: 325400 706.1769 2129.8676 1978.3799 111.0786 -206251.4054 18064.0319 0.0000 0.0000 33954.2527 -149307.6178 296.5309 -183261.8705 -149207.7668 299.2313 30.0415 57.8818 560819.0204 10.7687 10.6570 PRESSURE: 325600 -90.9856 -57.3094 70.1723 -57.3092 -33.9607 -8.6771 70.1723 -8.6781 149.544 GPRESSURE: 325600 -88.3247 11.4292 88.3451 -94.8582 -8.65323 -102.575 41.5541 55.9194 221.76 PRESSAVG: 325600 -60.3295 -27.5088 6.31841 -27.5088 -18.6044 -36.2978 6.31837 -36.2978 86.6078 GPRESSAVG: 325600 -60.5889 -28.6548 4.24618 -26.4904 -17.4458 -36.07 6.94231 -38.4249 86.4649 TIMING: 325600 CPU: 940.474, 0.00289161/step Wall: 940.474, 0.00289161/step, 3.7546 hours remaining, 207.316406 MB of memory in use. ENERGY: 325600 765.3209 2072.1075 1992.5177 112.5259 -206535.7240 17964.1833 0.0000 0.0000 34260.3746 -149368.6940 299.2044 -183629.0686 -149266.0669 299.1632 8.1993 41.5939 557917.7069 2.5579 2.8101 PRESSURE: 325800 -224.825 151.22 -235.792 151.221 -141.933 9.41077 -235.793 9.40931 -189.253 GPRESSURE: 325800 -194.13 144.905 -242.77 98.3844 -101.869 -12.0746 -268.128 -21.5438 -173.976 PRESSAVG: 325800 -25.3538 26.7975 6.4023 26.7975 -19.7795 -5.45078 6.40231 -5.4508 -30.9092 GPRESSAVG: 325800 -25.2741 29.3438 6.38963 26.0748 -19.9362 -4.93162 6.74706 -7.78237 -30.3933 TIMING: 325800 CPU: 941.048, 0.00287329/step Wall: 941.048, 0.00287329/step, 3.73065 hours remaining, 207.316406 MB of memory in use. ENERGY: 325800 753.8614 2121.6581 1980.8732 107.9826 -205940.7542 17558.1304 0.0000 0.0000 34115.6458 -149302.6027 297.9404 -183418.2484 -149213.4649 299.0102 -185.3370 -156.6583 559480.3641 -25.3475 -25.2012 PRESSURE: 326000 109.154 -153.105 -23.2089 -153.104 226.913 -60.0549 -23.2073 -60.0527 -35.8868 GPRESSURE: 326000 125.744 -22.1873 -36.6504 -283.776 240.159 -133.497 -48.4013 -42.6436 19.2065 PRESSAVG: 326000 -80.1271 22.5187 -47.1573 22.5188 45.9876 -3.79926 -47.1574 -3.79919 29.2367 GPRESSAVG: 326000 -78.9435 20.7727 -45.6762 22.5928 45.1319 -3.94019 -49.9434 -0.5918 28.7928 TIMING: 326000 CPU: 941.628, 0.00289961/step Wall: 941.628, 0.00289961/step, 3.76466 hours remaining, 207.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 326000 746.0140 2120.0975 1964.5858 102.7162 -206506.0066 18028.9417 0.0000 0.0000 34286.7993 -149256.8522 299.4351 -183543.6515 -149159.3554 299.1588 100.0601 128.3699 557238.1655 -1.6343 -1.6729 PRESSURE: 326200 -293.865 -10.1054 -170.665 -10.1057 -8.76683 -122.396 -170.665 -122.395 -354.124 GPRESSURE: 326200 -262.856 51.0021 -109.279 -31.5723 -3.91911 -162.199 -172.165 -216.185 -296.924 PRESSAVG: 326200 -0.560041 48.0908 19.7709 48.0908 -9.18096 -5.28057 19.771 -5.28053 -13.6023 GPRESSAVG: 326200 -0.491109 47.7692 16.7287 48.1901 -10.0106 -4.57852 22.1689 -6.64913 -13.0423 TIMING: 326200 CPU: 942.214, 0.00292937/step Wall: 942.214, 0.00292937/step, 3.80314 hours remaining, 207.316406 MB of memory in use. ENERGY: 326200 754.8384 2071.5255 1929.7194 109.8381 -205911.2534 17424.1109 0.0000 0.0000 34163.0738 -149458.1473 298.3546 -183621.2211 -149361.8965 298.6166 -218.9184 -187.8995 557829.2478 -7.7811 -7.8480 PRESSURE: 326400 -188.426 -168.128 -31.5218 -168.127 -62.2687 38.6621 -31.5218 38.663 82.4271 GPRESSURE: 326400 -162.639 -148.901 2.39058 -212.983 -11.9887 5.76588 -95.8388 95.9783 105.761 PRESSAVG: 326400 -24.1122 -10.8459 62.7507 -10.8459 -31.6129 -7.15074 62.7508 -7.15078 8.12789 GPRESSAVG: 326400 -24.2268 -9.0371 65.8691 -12.6658 -32.2753 -7.91956 60.6105 -7.13744 8.6285 TIMING: 326400 CPU: 942.789, 0.00287415/step Wall: 942.789, 0.00287415/step, 3.73129 hours remaining, 207.316406 MB of memory in use. ENERGY: 326400 724.0306 2084.2938 1945.8794 117.7555 -206418.0185 17869.7625 0.0000 0.0000 34096.5129 -149579.7837 297.7733 -183676.2966 -149487.0918 297.4043 -56.0891 -22.9556 559619.6377 -15.8658 -15.9579 PRESSURE: 326600 54.111 -164.986 -182.485 -164.986 -202.037 -72.124 -182.485 -72.1247 -174.667 GPRESSURE: 326600 47.0923 -176.175 -174.176 -140.82 -99.5223 -98.6707 -127.672 -88.4556 -160.025 PRESSAVG: 326600 -14.5204 -52.0594 7.66665 -52.0595 -21.9154 -42.8275 7.66672 -42.8275 50.7392 GPRESSAVG: 326600 -14.7435 -54.3685 6.52652 -50.0005 -20.2194 -40.3588 10.6239 -41.5436 49.6602 TIMING: 326600 CPU: 943.36, 0.00285524/step Wall: 943.36, 0.00285524/step, 3.70658 hours remaining, 207.316406 MB of memory in use. ENERGY: 326600 704.6607 2088.6696 1921.9036 112.9383 -206221.6673 17764.6105 0.0000 0.0000 34130.8714 -149498.0133 298.0734 -183628.8847 -149405.5442 298.2875 -107.5310 -70.8182 558894.3765 4.7678 4.8991 PRESSURE: 326800 169.343 -30.5559 -31.1779 -30.5553 -78.6089 -92.2718 -31.1776 -92.2718 300.605 GPRESSURE: 326800 214.343 32.4087 -0.812334 22.1136 -12.6777 -7.28151 -124.008 -75.8328 278.586 PRESSAVG: 326800 -4.89092 -22.0775 -44.5695 -22.0775 1.31766 -37.9756 -44.5696 -37.9755 12.2939 GPRESSAVG: 326800 -4.09919 -23.0048 -45.1877 -20.9739 0.302611 -38.4046 -45.0089 -39.0789 12.9125 TIMING: 326800 CPU: 943.935, 0.00287702/step Wall: 943.935, 0.00287702/step, 3.73469 hours remaining, 207.316406 MB of memory in use. ENERGY: 326800 753.9726 2108.0363 1927.8153 125.4406 -206738.9573 17990.9875 0.0000 0.0000 34309.9681 -149522.7370 299.6375 -183832.7051 -149427.0540 298.5197 130.4464 160.0836 555546.4902 2.9069 3.0386 PRESSURE: 327000 -243.418 -104.307 -34.1927 -104.309 42.5833 66.5458 -34.1933 66.5478 -434.248 GPRESSURE: 327000 -182.32 -122.889 -14.3503 -105.24 77.479 50.3557 -7.37312 64.1287 -419.572 PRESSAVG: 327000 12.4824 -11.029 -0.197043 -11.0291 17.9966 12.4238 -0.197076 12.4237 -56.1983 GPRESSAVG: 327000 12.0787 -8.51377 1.20504 -11.0813 19.4022 12.0308 -1.18265 12.5709 -56.6851 TIMING: 327000 CPU: 944.513, 0.00288699/step Wall: 944.513, 0.00288699/step, 3.74747 hours remaining, 207.316406 MB of memory in use. ENERGY: 327000 774.1964 2169.5022 1941.4392 104.2899 -206240.8348 17567.3244 0.0000 0.0000 34095.9596 -149588.1231 297.7685 -183684.0827 -149501.0306 298.9272 -211.6945 -174.8041 555745.2393 -8.5731 -8.4014 PRESSURE: 327200 266.293 -12.5503 30.4088 -12.5521 9.3361 134.595 30.4087 134.596 220.592 GPRESSURE: 327200 265.41 10.2745 -8.61698 -20.3708 11.4183 116.993 23.0425 170.529 304.533 PRESSAVG: 327200 -48.4239 1.63909 -1.93622 1.63909 -28.6505 -9.12921 -1.93612 -9.12905 69.2809 GPRESSAVG: 327200 -49.0867 2.09376 -3.07194 1.49499 -28.8826 -10.5186 -1.30015 -9.16293 70.2243 TIMING: 327200 CPU: 945.09, 0.00288563/step Wall: 945.09, 0.00288563/step, 3.74555 hours remaining, 207.316406 MB of memory in use. ENERGY: 327200 720.8252 2060.0210 1976.8855 101.1204 -206337.0733 17930.1492 0.0000 0.0000 34171.4899 -149376.5821 298.4281 -183548.0720 -149279.3682 299.3627 165.4070 193.7873 555907.3513 -2.5978 -2.5817 PRESSURE: 327400 -428.826 109.057 -148.861 109.057 150.706 -141.415 -148.862 -141.415 -449.264 GPRESSURE: 327400 -419.248 155.346 -163.968 68.7948 243.333 -61.7487 -161.622 -142.688 -438.157 PRESSAVG: 327400 44.1282 14.8135 -15.9188 14.8134 -9.66532 55.8533 -15.9187 55.8534 -15.2018 GPRESSAVG: 327400 44.7033 14.202 -17.0197 14.0829 -9.76292 56.569 -15.1102 54.913 -15.5966 TIMING: 327400 CPU: 945.67, 0.00289961/step Wall: 945.67, 0.00289961/step, 3.76354 hours remaining, 207.316406 MB of memory in use. ENERGY: 327400 795.0830 2124.4032 1918.1004 102.3922 -205528.9785 17222.9899 0.0000 0.0000 34046.3921 -149319.6177 297.3356 -183366.0097 -149225.7660 299.6198 -242.4612 -204.6907 558119.1361 6.4204 6.4479 PRESSURE: 327600 -184.39 27.3547 -37.5674 27.3545 -70.543 158.057 -37.5681 158.06 -60.0343 GPRESSURE: 327600 -160.935 -5.93784 -82.8861 -69.7572 -28.353 211.61 -10.6127 39.0855 -30.6264 PRESSAVG: 327600 -32.9621 8.70497 -1.53903 8.705 50.2471 35.6365 -1.53901 35.6365 -37.6967 GPRESSAVG: 327600 -33.1605 8.91865 -0.286731 9.50528 50.2806 37.0006 -0.889407 35.605 -37.4634 TIMING: 327600 CPU: 946.252, 0.00291264/step Wall: 946.252, 0.00291264/step, 3.78029 hours remaining, 207.316406 MB of memory in use. ENERGY: 327600 723.4908 2124.2264 1948.5655 102.7252 -206410.0062 17762.9245 0.0000 0.0000 34497.0108 -149251.0628 301.2710 -183748.0737 -149150.8875 299.2427 -104.9892 -73.3047 557317.3262 -6.8039 -6.7811 PRESSURE: 327800 -250.5 22.1993 -262.136 22.1998 -58.4118 119.01 -262.136 119.011 -180.494 GPRESSURE: 327800 -179.19 -49.7922 -224.972 45.8903 -61.0697 171.276 -236.343 -47.9266 -153.72 PRESSAVG: 327800 19.761 32.1178 -55.2528 32.1176 21.8546 19.496 -55.2527 19.496 -44.8304 GPRESSAVG: 327800 19.5264 30.9689 -55.2671 33.1853 21.5876 17.6563 -56.416 19.7136 -43.9142 TIMING: 327800 CPU: 946.835, 0.00291204/step Wall: 946.835, 0.00291204/step, 3.77934 hours remaining, 207.316406 MB of memory in use. ENERGY: 327800 778.5643 2094.1918 1961.8676 112.7700 -206235.3246 17565.5293 0.0000 0.0000 34354.1714 -149368.2302 300.0235 -183722.4016 -149272.7087 299.0726 -163.1352 -131.3266 557765.6000 -1.0716 -0.9334 PRESSURE: 328000 34.4784 218.369 52.5653 218.37 105.568 -212.709 52.5659 -212.706 197.534 GPRESSURE: 328000 84.3876 203.93 73.9179 139.13 129.771 -187.765 -54.4835 -232.652 213.873 PRESSAVG: 328000 29.0428 -5.83965 -49.3264 -5.83961 37.9069 -12.8594 -49.3263 -12.8594 0.522751 GPRESSAVG: 328000 29.3725 -7.03996 -49.6801 -8.25346 38.3474 -11.3296 -50.0707 -12.9443 -0.270314 TIMING: 328000 CPU: 947.418, 0.00291668/step Wall: 947.418, 0.00291669/step, 3.78521 hours remaining, 207.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 328000 770.2933 2088.1305 1942.1642 101.4431 -206522.8897 17915.5758 0.0000 0.0000 34402.2591 -149303.0237 300.4435 -183705.2828 -149202.1648 299.1868 112.5269 142.6770 555652.7649 22.4908 22.4832 PRESSURE: 328200 -208.183 -146.479 -133.376 -146.479 -77.3106 27.9195 -133.377 27.9204 -238.807 GPRESSURE: 328200 -204.003 -150.097 -40.688 -123.123 -16.5286 37.8211 -138.616 76.8323 -211.782 PRESSAVG: 328200 -18.6322 37.5679 28.755 37.5679 52.8134 16.7795 28.755 16.7796 -14.5716 GPRESSAVG: 328200 -17.7574 38.5217 28.2768 38.6873 52.9979 18.5521 29.9889 16.1165 -15.163 TIMING: 328200 CPU: 948, 0.00291109/step Wall: 948, 0.00291109/step, 3.77779 hours remaining, 207.316406 MB of memory in use. ENERGY: 328200 726.8250 2118.5827 1965.0913 114.1691 -206202.5799 17583.3185 0.0000 0.0000 34275.9386 -149418.6547 299.3403 -183694.5933 -149326.8616 299.6108 -174.7667 -144.1046 557356.0279 6.5365 6.6925 LDB: ============= START OF LOAD BALANCING ============== 951.385 LDB: ============== END OF LOAD BALANCING =============== 951.385 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 951.387 LDB: ============= START OF LOAD BALANCING ============== 951.677 LDB: Largest compute 4822 load 0.024714 is 21.0% of average load 0.117926 LDB: Average compute 0.001714 is 1.5% of average load 0.117926 LDB: TIME 951.679 LOAD: AVG 0.117926 MAX 0.179749 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 951.68 LOAD: AVG 0.117926 MAX 0.179749 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 951.68 LOAD: AVG 0.117926 MAX 0.179749 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 951.682 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 951.686 PRESSURE: 328400 -501.062 17.1244 -102.537 17.1232 -343.037 -97.691 -102.537 -97.6884 -29.086 GPRESSURE: 328400 -479.971 -16.5611 -49.7523 75.0245 -323.499 -59.9757 -95.6718 -81.0437 32.5156 PRESSAVG: 328400 65.5454 12.8366 -42.3315 12.8366 -1.46173 -24.6875 -42.3315 -24.6874 -71.2865 GPRESSAVG: 328400 66.4737 12.7101 -41.5771 11.8549 -2.94208 -27.0509 -42.9199 -25.3008 -71.2366 TIMING: 328400 CPU: 948.59, 0.00294855/step Wall: 948.59, 0.00294855/step, 3.82624 hours remaining, 205.914062 MB of memory in use. ENERGY: 328400 755.1799 2120.0390 1948.2136 109.9528 -206136.9485 17535.7382 0.0000 0.0000 34162.4460 -149505.3789 298.3491 -183667.8250 -149415.4480 298.4714 -291.0615 -256.9850 558588.9018 -2.4009 -2.5683 PRESSURE: 328600 -119.11 18.3713 14.6027 18.3721 -148.407 -32.0403 14.6022 -32.0375 -77.6686 GPRESSURE: 328600 -144.794 52.0386 -22.5036 1.66715 -137.86 -10.8484 25.195 -80.2395 29.7774 PRESSAVG: 328600 -49.8374 14.7545 20.5331 14.7545 29.8035 -40.7181 20.5331 -40.718 -30.4157 GPRESSAVG: 328600 -51.7195 13.2605 21.3564 17.0278 30.8391 -41.4502 22.2273 -39.6286 -29.8134 TIMING: 328600 CPU: 949.161, 0.00285612/step Wall: 949.161, 0.00285612/step, 3.70614 hours remaining, 205.984375 MB of memory in use. ENERGY: 328600 751.1436 2021.3566 1931.1847 110.5062 -206189.0509 17748.7549 0.0000 0.0000 34331.4757 -149294.6290 299.8253 -183626.1048 -149199.3651 299.1895 -115.0619 -84.2920 558437.0039 -16.8166 -16.8979 PRESSURE: 328800 -230.881 105.357 -112.837 105.354 -42.0383 -114.559 -112.837 -114.559 -134.539 GPRESSURE: 328800 -235.608 147.031 -103.22 14.6626 31.6526 -61.1082 -119.004 -195.081 -93.354 PRESSAVG: 328800 -34.8928 63.5425 -8.3997 63.5425 24.7064 12.3054 -8.39972 12.3055 28.9038 GPRESSAVG: 328800 -34.5607 64.1216 -8.13569 61.3472 24.6769 15.3831 -10.1177 11.155 28.4952 TIMING: 328800 CPU: 949.737, 0.00287895/step Wall: 949.737, 0.00287896/step, 3.7356 hours remaining, 205.984375 MB of memory in use. ENERGY: 328800 762.5534 2032.7234 1938.5092 112.8957 -205961.1005 17657.9120 0.0000 0.0000 34238.3982 -149218.1086 299.0124 -183456.5067 -149127.7970 298.7501 -135.8195 -99.1030 558658.6812 6.2391 6.2038 PRESSURE: 329000 -177.189 -89.8291 -23.1484 -89.8292 -79.8397 146.448 -23.1491 146.448 -226.949 GPRESSURE: 329000 -152.921 -68.5574 90.6237 -46.446 -22.736 90.6907 -79.5636 136.541 -229.3 PRESSAVG: 329000 -23.0743 -33.696 -30.8387 -33.6961 70.1452 56.4203 -30.8387 56.4202 -43.8944 GPRESSAVG: 329000 -22.5383 -33.8344 -31.0048 -33.145 68.7943 54.6603 -31.2349 57.3245 -42.5677 TIMING: 329000 CPU: 950.315, 0.00288772/step Wall: 950.315, 0.00288772/step, 3.74682 hours remaining, 205.984375 MB of memory in use. ENERGY: 329000 758.9301 2034.9534 1957.8660 109.4017 -206263.8286 17742.6322 0.0000 0.0000 34522.0576 -149137.9875 301.4897 -183660.0451 -149047.4510 299.7627 -161.3260 -134.9856 558341.2659 1.0588 1.2294 PRESSURE: 329200 198.365 28.4552 77.903 28.4551 425.142 -52.2981 77.9042 -52.298 -117.293 GPRESSURE: 329200 259.428 -21.9714 4.31713 -30.289 455.745 37.5016 189.158 -46.102 -114.692 PRESSAVG: 329200 5.62873 -24.8896 -12.7375 -24.8897 41.5347 9.98992 -12.7375 9.99005 -91.8513 GPRESSAVG: 329200 6.14949 -25.204 -12.8344 -25.4014 40.2443 9.24447 -11.2222 9.99834 -90.6312 TIMING: 329200 CPU: 950.89, 0.00287874/step Wall: 950.89, 0.00287874/step, 3.73501 hours remaining, 206.187500 MB of memory in use. ENERGY: 329200 732.5913 2102.4947 1938.5225 107.2836 -206340.1719 17938.9350 0.0000 0.0000 34254.2756 -149266.0691 299.1511 -183520.3447 -149172.6672 299.1874 168.7381 200.1604 555881.1710 -14.8959 -14.7458 PRESSURE: 329400 -95.6702 -49.6989 -46.6197 -49.6994 -180.748 -40.3752 -46.6194 -40.3739 35.4034 GPRESSURE: 329400 -63.0155 -140.209 -23.1906 23.4332 -64.8854 93.3877 -5.72206 -113.17 -1.18298 PRESSAVG: 329400 46.3503 -7.89189 13.6144 -7.8919 30.5328 6.53429 13.6145 6.53435 -47.8398 GPRESSAVG: 329400 45.935 -7.34453 11.5717 -7.44183 32.8212 7.75512 13.3997 6.48068 -49.7362 TIMING: 329400 CPU: 951.464, 0.00286763/step Wall: 951.464, 0.00286763/step, 3.72043 hours remaining, 206.187500 MB of memory in use. ENERGY: 329400 791.6881 2092.8231 1922.8905 114.8499 -206131.1578 17697.3021 0.0000 0.0000 34185.1085 -149326.4957 298.5471 -183511.6042 -149224.6048 299.0437 -80.3384 -43.0280 556454.2164 9.6811 9.6733 PRESSURE: 329600 -33.6179 62.0381 38.9646 62.0371 -18.4862 -39.751 38.9629 -39.7496 -151.687 GPRESSURE: 329600 -11.148 -46.4382 95.0433 80.5953 10.3456 -149.278 6.75346 -49.4842 -97.957 PRESSAVG: 329600 21.985 31.0552 -18.1793 31.0552 32.6639 -19.6291 -18.1793 -19.6292 -26.6008 GPRESSAVG: 329600 22.3671 28.2027 -17.9653 30.7366 30.8024 -21.252 -20.2858 -20.5078 -25.4412 TIMING: 329600 CPU: 952.039, 0.00287486/step Wall: 952.039, 0.00287486/step, 3.72965 hours remaining, 206.187500 MB of memory in use. ENERGY: 329600 733.0770 2086.4540 1961.4794 106.7022 -206176.8803 17603.3547 0.0000 0.0000 34376.3617 -149309.4512 300.2173 -183685.8129 -149213.9550 299.1245 -67.9305 -32.9198 555386.0540 9.3494 9.2428 PRESSURE: 329800 174.525 76.1607 18.2878 76.1607 -213.88 -66.0801 18.2882 -66.0811 -274.974 GPRESSURE: 329800 179.753 46.355 30.3457 119.667 -146.627 -1.02738 111.474 -30.461 -237.053 PRESSAVG: 329800 55.2114 -13.9432 18.6185 -13.9432 -25.703 -30.6439 18.6185 -30.6439 -9.51964 GPRESSAVG: 329800 54.7303 -11.7707 19.9907 -12.086 -25.4735 -27.385 18.7261 -31.3104 -9.11564 TIMING: 329800 CPU: 952.612, 0.00286445/step Wall: 952.612, 0.00286445/step, 3.71599 hours remaining, 206.187500 MB of memory in use. ENERGY: 329800 757.6101 2082.4395 1951.8943 112.5472 -206092.1226 17538.2522 0.0000 0.0000 34261.4778 -149387.9016 299.2140 -183649.3794 -149283.3317 299.7733 -104.7762 -67.9760 556531.1769 6.6629 6.7137 PRESSURE: 330000 93.5109 148.673 -4.33861 148.672 27.551 -134.589 -4.33955 -134.589 -49.8036 GPRESSURE: 330000 155.924 94.2829 -14.3347 144.756 21.6478 -171.782 54.7517 -134.825 -14.9647 PRESSAVG: 330000 28.36 101.914 55.407 101.914 -65.8502 -44.5042 55.4069 -44.5043 11.18 GPRESSAVG: 330000 29.6109 101.682 54.0912 100.316 -66.9206 -47.5747 55.8594 -44.5111 10.4142 TIMING: 330000 CPU: 953.191, 0.00289488/step Wall: 953.191, 0.00289488/step, 3.7553 hours remaining, 206.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 330000 765.8268 2028.5472 1962.7470 115.0635 -206414.9889 17934.3796 0.0000 0.0000 34138.2440 -149470.1810 298.1378 -183608.4250 -149373.1701 298.2527 23.7528 54.2022 556131.7327 -8.7701 -8.9651 PRESSURE: 330200 -64.6151 49.9604 34.4152 49.9591 -80.3204 116.167 34.4143 116.167 -115.411 GPRESSURE: 330200 -67.6401 5.03175 19.6693 -70.3798 -4.30507 117 58.1621 35.3215 -93.3693 PRESSAVG: 330200 -37.0621 -14.2549 62.0808 -14.2548 9.84057 -6.2924 62.0807 -6.2925 65.4045 GPRESSAVG: 330200 -38.991 -15.4556 62.6134 -13.24 12.1651 -7.16571 62.0735 -4.99343 65.3408 TIMING: 330200 CPU: 953.766, 0.00287705/step Wall: 953.766, 0.00287705/step, 3.73201 hours remaining, 206.187500 MB of memory in use. ENERGY: 330200 780.8248 2085.0306 1961.0071 110.2020 -205998.7199 17512.0723 0.0000 0.0000 34197.4678 -149352.1153 298.6550 -183549.5831 -149257.5414 299.2225 -86.7822 -55.1048 556530.4406 12.7276 12.8383 PRESSURE: 330400 -7.96952 -132.859 -13.2658 -132.859 -30.0662 79.9534 -13.2656 79.9533 -0.522197 GPRESSURE: 330400 23.505 -155.111 59.0068 -88.6205 78.2406 77.2546 -26.3013 77.7719 -44.5805 PRESSAVG: 330400 -62.8393 -42.948 26.4205 -42.948 44.7148 -27.5343 26.4205 -27.5343 37.6359 GPRESSAVG: 330400 -61.2156 -40.6185 28.3064 -43.5959 44.2778 -27.2077 25.7745 -26.5195 36.3784 TIMING: 330400 CPU: 954.344, 0.00289011/step Wall: 954.344, 0.00289011/step, 3.74879 hours remaining, 206.187500 MB of memory in use. ENERGY: 330400 767.8435 2058.9861 1957.4395 101.3734 -206206.6628 17903.9753 0.0000 0.0000 34247.9976 -149169.0474 299.0963 -183417.0450 -149063.4996 299.1320 -12.8526 19.0551 558486.3709 6.5038 6.4802 PRESSURE: 330600 -55.5018 -78.4921 24.4478 -78.4906 -88.6983 -43.7909 24.4475 -43.7912 14.7089 GPRESSURE: 330600 -57.4321 -170.951 2.88371 -37.6213 -40.8113 -39.175 24.6096 3.32373 69.1975 PRESSAVG: 330600 -20.7562 -22.4991 47.1176 -22.4991 0.299716 21.4897 47.1176 21.4898 -18.6874 GPRESSAVG: 330600 -20.8021 -24.6918 45.5248 -22.8642 0.157926 22.5111 49.0717 19.9834 -18.0182 TIMING: 330600 CPU: 954.923, 0.00289416/step Wall: 954.923, 0.00289416/step, 3.75388 hours remaining, 206.187500 MB of memory in use. ENERGY: 330600 719.1411 2110.7322 1965.6373 118.6727 -206294.4461 17956.0636 0.0000 0.0000 34327.0869 -149097.1124 299.7870 -183424.1993 -148999.9727 299.8225 -43.1637 -9.6820 559721.9391 -13.0479 -12.8875 PRESSURE: 330800 -131.516 79.6397 -70.4553 79.6407 -28.9073 -17.1639 -70.4566 -17.1641 116.674 GPRESSURE: 330800 -117.746 102.232 -134.087 83.8992 11.453 -48.6951 -52.6359 0.162382 160.169 PRESSAVG: 330800 -19.3518 -32.9178 -13.8685 -32.9177 45.2042 0.329291 -13.8685 0.329382 -18.3999 GPRESSAVG: 330800 -20.5732 -30.7258 -15.149 -35.6775 45.4522 -0.585318 -14.1326 3.08552 -17.3268 TIMING: 330800 CPU: 955.499, 0.00288188/step Wall: 955.499, 0.00288188/step, 3.7378 hours remaining, 206.187500 MB of memory in use. ENERGY: 330800 751.7311 2112.6244 1931.8487 115.1903 -206291.5663 17902.8527 0.0000 0.0000 34564.6364 -148912.6828 301.8616 -183477.3191 -148809.6018 299.9091 -14.5830 17.9586 558732.2272 2.4841 2.5174 PRESSURE: 331000 121.07 -102.042 -31.9921 -102.041 79.7659 0.582518 -31.9932 0.582964 148.382 GPRESSURE: 331000 196.47 -77.9881 -34.7001 -84.7324 69.9978 -21.5444 -106.885 -27.6928 182.364 PRESSAVG: 331000 -81.231 -49.4907 2.12633 -49.4907 -8.552 -23.721 2.12624 -23.721 42.9667 GPRESSAVG: 331000 -79.7332 -50.0934 0.814299 -47.2191 -8.99367 -23.9725 1.582 -25.7639 41.9707 TIMING: 331000 CPU: 956.076, 0.00288107/step Wall: 956.076, 0.00288107/step, 3.73659 hours remaining, 206.187500 MB of memory in use. ENERGY: 331000 755.1683 2086.0343 1932.3648 121.2958 -206414.9624 17965.0264 0.0000 0.0000 34637.4765 -148917.5963 302.4977 -183555.0728 -148819.3021 300.1365 116.4060 149.6103 556852.7881 -15.6054 -15.5854 PRESSURE: 331200 75.9759 -149.378 14.6786 -149.377 130.99 -37.6763 14.6782 -37.6748 -237.456 GPRESSURE: 331200 146.517 -186.69 -34.2654 -111.593 103.846 -23.1325 79.3077 -97.2362 -194.024 PRESSAVG: 331200 -52.4292 -29.3967 7.96249 -29.3967 -2.01491 51.6949 7.96262 51.695 49.4041 GPRESSAVG: 331200 -53.194 -30.4532 8.59782 -28.9865 -1.65619 55.298 7.79496 51.2279 49.7219 TIMING: 331200 CPU: 956.653, 0.00288768/step Wall: 956.653, 0.00288768/step, 3.74501 hours remaining, 206.187500 MB of memory in use. ENERGY: 331200 735.2893 2099.1711 1940.3630 97.6297 -205808.8771 17590.8345 0.0000 0.0000 34359.2984 -148986.2912 300.0683 -183345.5896 -148894.1214 300.1408 -10.1632 18.7797 557674.9349 -1.6800 -1.7094 PRESSURE: 331400 147.451 -100.948 -208.821 -100.948 45.7668 -11.3788 -208.821 -11.3776 51.0194 GPRESSURE: 331400 148.872 -127.411 -186.267 -39.4359 91.6567 6.85012 -219.729 -47.8548 113.48 PRESSAVG: 331400 -11.4504 4.90258 -23.9271 4.90266 43.8712 -16.8398 -23.927 -16.8399 -19.8424 GPRESSAVG: 331400 -11.7788 6.86178 -24.2776 4.04768 43.6148 -19.7192 -22.3138 -15.225 -19.2922 TIMING: 331400 CPU: 957.227, 0.00286961/step Wall: 957.227, 0.00286961/step, 3.7214 hours remaining, 206.187500 MB of memory in use. ENERGY: 331400 753.1849 2110.8793 1961.1924 113.0451 -205840.4849 17651.4518 0.0000 0.0000 34338.8749 -148911.8564 299.8899 -183250.7314 -148818.3988 300.3741 81.4125 118.0029 555523.1087 4.1928 4.1812 PRESSURE: 331600 -237.039 -25.2364 38.4884 -25.2382 -236.37 -75.4345 38.4867 -75.4336 -32.3714 GPRESSURE: 331600 -179.894 68.157 -18.51 -118.783 -286.653 -132.377 22.5633 -45.8147 55.2718 PRESSAVG: 331600 -30.9363 -6.92984 -49.2589 -6.92991 46.7856 57.3782 -49.2589 57.3782 44.7051 GPRESSAVG: 331600 -32.0729 -7.08832 -48.375 -7.43825 46.9263 57.713 -49.0922 57.3652 45.4277 TIMING: 331600 CPU: 957.801, 0.00287216/step Wall: 957.801, 0.00287216/step, 3.72455 hours remaining, 206.187500 MB of memory in use. ENERGY: 331600 771.2460 2124.4224 1970.7458 107.0469 -206062.5377 17747.2036 0.0000 0.0000 34578.1826 -148763.6905 301.9799 -183341.8731 -148654.8151 301.1323 -168.5935 -137.0919 557170.3163 20.1848 20.0937 PRESSURE: 331800 -8.66058 -8.14829 -121.334 -8.14898 307.694 3.76219 -121.334 3.7614 -144.973 GPRESSURE: 331800 37.2555 62.9626 -162.799 -6.33007 382.555 54.6186 -80.2477 -34.6286 -163.074 PRESSAVG: 331800 -28.4594 14.0401 9.20139 14.0401 -50.8269 -4.58602 9.2014 -4.58593 67.7262 GPRESSAVG: 331800 -27.4063 14.2374 8.70823 14.4478 -51.3723 -5.57452 9.01543 -4.35998 67.0214 TIMING: 331800 CPU: 958.374, 0.0028637/step Wall: 958.374, 0.0028637/step, 3.71342 hours remaining, 206.187500 MB of memory in use. ENERGY: 331800 800.5507 2165.2322 1938.4817 111.7511 -206084.8135 17766.2776 0.0000 0.0000 34395.6241 -148906.8960 300.3855 -183302.5201 -148813.5034 301.0828 51.3537 85.5787 555696.6530 -3.8534 -3.9190 PRESSURE: 332000 -62.4321 -13.8443 -110.965 -13.8459 -135.434 21.8144 -110.965 21.8142 153.654 GPRESSURE: 332000 -90.6748 139.393 -103.345 -120.466 -41.921 128.161 -136.967 -63.5494 184.626 PRESSAVG: 332000 -72.7845 -3.80016 -30.5551 -3.80026 58.8626 -20.1541 -30.5551 -20.1541 15.6376 GPRESSAVG: 332000 -74.0669 -3.46138 -30.1161 -5.5268 60.4764 -18.4395 -31.113 -21.3085 15.5271 TIMING: 332000 CPU: 958.951, 0.00288411/step Wall: 958.951, 0.00288411/step, 3.73973 hours remaining, 206.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 332000 729.6300 2083.9325 1963.9232 119.6134 -205485.8766 17434.4106 0.0000 0.0000 34268.5201 -148885.8468 299.2755 -183154.3669 -148787.8662 300.5887 -14.7373 17.3433 556338.5378 0.5719 0.6456 PRESSURE: 332200 -159.742 -36.2861 29.7307 -36.2862 -102.798 -11.728 29.7312 -11.7296 43.6764 GPRESSURE: 332200 -132.833 -60.96 11.0649 -51.5945 -48.3926 63.4526 68.6073 -37.5127 58.5252 PRESSAVG: 332200 -7.55713 30.1147 -15.2465 30.1148 -15.796 36.0181 -15.2465 36.0182 57.6999 GPRESSAVG: 332200 -6.58769 30.229 -15.9532 31.2407 -16.1675 36.8994 -16.156 35.291 57.3591 TIMING: 332200 CPU: 959.526, 0.00287386/step Wall: 959.526, 0.00287386/step, 3.72628 hours remaining, 206.187500 MB of memory in use. ENERGY: 332200 750.9011 2152.6238 1940.0086 107.8624 -205740.8278 17650.1867 0.0000 0.0000 34293.0308 -148846.2144 299.4896 -183139.2452 -148747.2216 300.5619 -72.9546 -40.9000 557239.1678 11.4489 11.5346 LDB: ============= START OF LOAD BALANCING ============== 962.91 LDB: ============== END OF LOAD BALANCING =============== 962.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 962.912 LDB: ============= START OF LOAD BALANCING ============== 963.199 LDB: Largest compute 4822 load 0.025115 is 21.3% of average load 0.117769 LDB: Average compute 0.001714 is 1.5% of average load 0.117769 LDB: TIME 963.201 LOAD: AVG 0.117769 MAX 0.178357 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.312 MB LDB: TIME 963.201 LOAD: AVG 0.117769 MAX 0.178357 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.383 MB LDB: TIME 963.202 LOAD: AVG 0.117769 MAX 0.178357 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.383 MB LDB: ============== END OF LOAD BALANCING =============== 963.203 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 963.207 PRESSURE: 332400 -200.186 -241.529 27.9105 -241.53 5.47235 -140.064 27.9102 -140.063 -69.8796 GPRESSURE: 332400 -130.984 -250.353 58.9909 -196.361 -45.2359 -159.147 0.317172 -186.706 6.80202 PRESSAVG: 332400 5.2848 7.3833 18.6188 7.38332 2.8471 11.4241 18.6188 11.4241 36.5996 GPRESSAVG: 332400 5.59369 6.93432 21.7493 6.67863 2.36498 10.9647 18.5901 12.6009 35.7017 TIMING: 332400 CPU: 960.112, 0.00292959/step Wall: 960.112, 0.00292959/step, 3.79838 hours remaining, 205.542969 MB of memory in use. ENERGY: 332400 750.0710 2121.6764 1938.5596 118.2360 -205741.6802 17520.6921 0.0000 0.0000 34495.3317 -148797.1134 301.2563 -183292.4451 -148704.6354 299.8821 -88.1978 -56.4726 557635.7270 14.9105 14.5535 PRESSURE: 332600 -8.85864 -59.8816 -37.9601 -59.8793 51.8435 206.933 -37.9609 206.936 -144.185 GPRESSURE: 332600 -0.716273 72.1085 7.66593 -44.9207 74.4403 222.249 -91.8904 185.221 -68.8425 PRESSAVG: 332600 -1.23414 -6.7246 -17.1071 -6.72468 -64.7126 1.77996 -17.107 1.78003 40.8382 GPRESSAVG: 332600 -1.45925 -6.84477 -19.2906 -5.28796 -65.5191 -0.276556 -17.6627 3.09488 41.7574 TIMING: 332600 CPU: 960.687, 0.00287663/step Wall: 960.687, 0.00287663/step, 3.72955 hours remaining, 205.542969 MB of memory in use. ENERGY: 332600 772.0614 2147.7520 1917.6564 114.2830 -205946.8322 17806.0455 0.0000 0.0000 34493.0077 -148696.0263 301.2360 -183189.0339 -148591.5739 300.9120 -33.7334 1.6272 557642.9538 -8.3695 -8.4070 PRESSURE: 332800 155.728 86.1782 -54.7816 86.1771 192.342 28.445 -54.782 28.4444 -145.686 GPRESSURE: 332800 130.096 72.5614 -107.251 79.138 191.41 30.4816 -19.4407 -60.4206 -9.04207 PRESSAVG: 332800 -61.5395 -29.9344 -1.73036 -29.9344 51.7593 82.327 -1.73045 82.327 28.555 GPRESSAVG: 332800 -62.6256 -29.9307 -1.87699 -31.9061 52.0113 83.8181 -1.14027 81.4325 29.5934 TIMING: 332800 CPU: 961.26, 0.00286247/step Wall: 961.26, 0.00286247/step, 3.71103 hours remaining, 205.542969 MB of memory in use. ENERGY: 332800 724.8484 2095.5859 1940.4822 107.7320 -206052.6918 18048.0104 0.0000 0.0000 34493.4150 -148642.6179 301.2396 -183136.0329 -148552.4027 300.6224 67.4612 104.1545 558534.7218 6.2582 6.3264 PRESSURE: 333000 28.4367 39.5994 -24.475 39.6007 -142.331 59.9519 -24.4763 59.9511 -64.6038 GPRESSURE: 333000 88.3071 -45.0558 -98.1971 143.264 -76.8079 8.11176 -4.87944 145.184 -92.5816 PRESSAVG: 333000 -31.765 12.5554 -18.9609 12.5554 82.9927 36.6161 -18.9608 36.616 -22.1975 GPRESSAVG: 333000 -31.342 11.123 -19.3964 15.9944 82.9973 35.9776 -18.925 38.4106 -22.5435 TIMING: 333000 CPU: 961.832, 0.00286091/step Wall: 961.832, 0.00286091/step, 3.70886 hours remaining, 205.542969 MB of memory in use. ENERGY: 333000 725.7341 2045.5422 1935.2979 106.0208 -205785.8954 17719.4160 0.0000 0.0000 34393.9896 -148859.8949 300.3713 -183253.8845 -148761.1979 300.5365 -59.4995 -27.0274 557986.1902 9.6768 9.7039 PRESSURE: 333200 -171.74 -101.132 -0.425434 -101.132 0.730541 35.0791 -0.425412 35.0771 -227.161 GPRESSURE: 333200 -157.751 -85.8981 -22.1439 -124.616 31.9583 -41.4963 -15.7574 78.2589 -177.751 PRESSAVG: 333200 -35.9927 -1.77624 -27.2542 -1.77613 44.6793 35.4544 -27.2541 35.4544 -40.5181 GPRESSAVG: 333200 -35.3806 -1.17383 -26.0015 -5.02023 45.0543 33.441 -27.5127 35.077 -41.1748 TIMING: 333200 CPU: 962.406, 0.00286984/step Wall: 962.406, 0.00286984/step, 3.72027 hours remaining, 205.542969 MB of memory in use. ENERGY: 333200 758.5840 2143.3824 1955.3467 105.5335 -205778.8209 17687.4305 0.0000 0.0000 34310.7634 -148817.7804 299.6444 -183128.5438 -148724.8010 300.0446 -132.7235 -101.1813 557969.1379 -10.6105 -10.5004 PRESSURE: 333400 -134.981 -23.3064 7.32103 -23.3065 -198.573 -43.4321 7.32224 -43.4309 -218.992 GPRESSURE: 333400 -154.613 -56.2632 17.7319 22.2313 -164.875 -32.1034 -43.1374 -19.9214 -145.334 PRESSAVG: 333400 -41.0911 49.471 4.68043 49.4709 17.5318 35.3161 4.68043 35.3161 22.1039 GPRESSAVG: 333400 -40.1398 48.2425 2.87836 51.8076 16.9064 37.046 6.34986 35.495 21.9383 TIMING: 333400 CPU: 962.979, 0.00286814/step Wall: 962.979, 0.00286814/step, 3.7179 hours remaining, 205.542969 MB of memory in use. ENERGY: 333400 755.9203 2109.8197 1960.0368 110.8205 -205582.8810 17386.7301 0.0000 0.0000 34308.6605 -148950.8932 299.6261 -183259.5537 -148855.2597 299.9602 -184.1822 -154.9406 558273.7981 -0.4851 -0.4317 PRESSURE: 333600 12.0504 37.1613 122.508 37.1615 -198.549 42.512 122.509 42.5115 -360.856 GPRESSURE: 333600 -8.90451 -46.7713 160.229 130.391 -147.043 26.2568 30.1757 3.86369 -299.989 PRESSAVG: 333600 19.0508 24.0392 25.9519 24.0391 -36.2784 3.91113 25.9519 3.91109 -27.7129 GPRESSAVG: 333600 18.6752 27.2105 27.6572 23.3313 -36.3287 4.38815 24.5137 0.385764 -27.2053 TIMING: 333600 CPU: 963.555, 0.0028763/step Wall: 963.555, 0.0028763/step, 3.72832 hours remaining, 205.542969 MB of memory in use. ENERGY: 333600 758.1415 2108.1078 1961.1451 106.1860 -205643.4139 17516.1853 0.0000 0.0000 34349.4589 -148844.1893 299.9824 -183193.6482 -148744.9959 300.1450 -182.4516 -151.9789 556733.9047 -14.9802 -14.9529 PRESSURE: 333800 269.948 109.338 -159.129 109.339 -430.18 -31.1137 -159.13 -31.1159 25.7104 GPRESSURE: 333800 289.505 75.1837 -102.121 141.468 -373.141 -43.3984 -202.637 -118.434 36.2435 PRESSAVG: 333800 3.58437 89.7285 1.04111 89.7285 -29.7982 24.7426 1.04102 24.7425 28.4277 GPRESSAVG: 333800 3.57827 87.8459 0.0760165 89.7234 -29.4241 24.816 -0.107776 25.6469 28.1383 TIMING: 333800 CPU: 964.129, 0.0028717/step Wall: 964.129, 0.0028717/step, 3.7222 hours remaining, 205.542969 MB of memory in use. ENERGY: 333800 727.8477 2096.2682 1934.8990 118.9927 -206102.4124 17770.7429 0.0000 0.0000 34592.9052 -148860.7566 302.1084 -183453.6618 -148764.2801 300.7393 -44.8406 -15.7972 556957.6537 0.7379 0.7641 PRESSURE: 334000 -171.745 70.9533 -73.5079 70.9541 -137.873 95.5272 -73.5068 95.5263 -57.4231 GPRESSURE: 334000 -145.391 -6.71976 -34.7332 137.777 -106.315 100.768 -145.138 171.806 -20.4369 PRESSAVG: 334000 57.0589 98.7299 56.7655 98.7298 -14.4732 62.7635 56.7655 62.7634 -1.16602 GPRESSAVG: 334000 57.5185 99.18 58.2809 97.2679 -13.6213 62.2076 56.9092 64.8415 -2.02611 TIMING: 334000 CPU: 964.704, 0.00287498/step Wall: 964.704, 0.00287498/step, 3.7263 hours remaining, 205.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 334000 753.8796 2084.4365 1961.2415 117.3551 -206060.1651 17638.3120 0.0000 0.0000 34446.6925 -149058.2479 300.8315 -183504.9403 -148960.8806 300.2283 -122.3472 -90.7146 558050.1267 13.8066 13.9570 PRESSURE: 334200 38.2468 -132.599 -25.8659 -132.598 126.634 174.636 -25.8668 174.636 131.451 GPRESSURE: 334200 55.4521 -57.7175 -59.5438 -70.9991 153.855 126.584 12.6764 150.768 171.675 PRESSAVG: 334200 -76.775 -5.13415 -20.7399 -5.13406 63.7653 29.3486 -20.7398 29.3486 8.70903 GPRESSAVG: 334200 -76.7861 -4.07224 -22.4092 -3.98589 63.377 30.637 -18.9148 28.2865 9.11999 TIMING: 334200 CPU: 965.282, 0.00289183/step Wall: 965.282, 0.00289183/step, 3.74798 hours remaining, 205.542969 MB of memory in use. ENERGY: 334200 754.0186 2107.4473 1945.1493 115.6318 -206041.2630 17894.5330 0.0000 0.0000 34109.2194 -149115.2636 297.8843 -183224.4830 -149022.2349 300.0098 98.7772 126.9942 556542.0947 -1.4336 -1.4297 PRESSURE: 334400 388.483 41.1093 184.351 41.1088 110.395 4.43594 184.351 4.4363 135.883 GPRESSURE: 334400 410.368 9.97397 107.865 90.6871 172.236 -55.6116 186.988 -10.4526 163.774 PRESSAVG: 334400 31.8992 19.5908 -70.2039 19.5908 -9.11762 -19.6531 -70.2038 -19.653 18.3015 GPRESSAVG: 334400 32.2027 20.7792 -68.4006 19.474 -9.30456 -20.4819 -72.6984 -20.3612 18.6305 TIMING: 334400 CPU: 965.86, 0.00288842/step Wall: 965.86, 0.00288842/step, 3.7434 hours remaining, 205.542969 MB of memory in use. ENERGY: 334400 724.8944 2082.1787 1937.6800 107.2618 -206215.5431 18047.8506 0.0000 0.0000 34301.9416 -149013.7361 299.5674 -183315.6777 -148914.5124 299.3873 211.5867 248.7929 556310.1944 13.6943 13.8429 PRESSURE: 334600 240.933 -44.8707 61.126 -44.8712 -57.6287 56.8019 61.1258 56.8025 97.523 GPRESSURE: 334600 284.315 -15.2823 54.7523 -82.8648 2.60955 87.9198 62.6716 22.1079 92.676 PRESSAVG: 334600 5.06579 2.34667 -46.9675 2.34677 21.1596 -18.0643 -46.9676 -18.0643 -28.8924 GPRESSAVG: 334600 5.18775 0.391754 -47.8429 3.40705 20.5817 -16.36 -46.2773 -19.1443 -28.9447 TIMING: 334600 CPU: 966.437, 0.00288274/step Wall: 966.437, 0.00288274/step, 3.73587 hours remaining, 205.542969 MB of memory in use. ENERGY: 334600 687.0079 2083.4189 1945.6886 105.2567 -205985.8767 17779.3422 0.0000 0.0000 34362.4718 -149022.6905 300.0960 -183385.1624 -148926.8102 299.3169 93.6091 126.5334 557408.1620 -0.8890 -1.0584 PRESSURE: 334800 -61.6443 -137.815 48.2218 -137.815 134.84 -17.4717 48.2226 -17.4715 11.8725 GPRESSURE: 334800 -28.2212 -97.4753 7.12903 -90.5826 187.474 -58.0333 24.1123 39.6716 22.6789 PRESSAVG: 334800 -57.7828 -42.0098 7.55595 -42.0098 39.2582 50.3933 7.55601 50.3933 -15.2573 GPRESSAVG: 334800 -58.0617 -41.8426 5.78777 -43.1423 40.2772 51.2831 7.95476 50.334 -16.41 TIMING: 334800 CPU: 967.015, 0.00289327/step Wall: 967.015, 0.00289327/step, 3.74935 hours remaining, 205.542969 MB of memory in use. ENERGY: 334800 715.1520 2161.6723 1908.1063 111.5045 -205791.1063 17601.0261 0.0000 0.0000 34332.2804 -148961.3647 299.8323 -183293.6451 -148871.4122 299.3810 28.3559 60.6438 556181.5014 -11.2606 -11.3982 PRESSURE: 335000 -139.066 -61.221 -95.377 -61.2197 138.936 -4.35154 -95.3777 -4.35189 -209.145 GPRESSURE: 335000 -166.612 -60.9303 -140.664 -77.0601 156.2 53.0404 -73.1002 -30.7411 -81.7063 PRESSAVG: 335000 -22.6879 -24.6112 3.10276 -24.611 -1.05507 -6.8703 3.10272 -6.87038 -18.4253 GPRESSAVG: 335000 -20.8776 -24.2821 2.91269 -26.2118 -3.23949 -9.45157 2.06046 -6.4742 -17.9579 TIMING: 335000 CPU: 967.593, 0.00288926/step Wall: 967.593, 0.00288926/step, 3.74399 hours remaining, 205.542969 MB of memory in use. ENERGY: 335000 720.1956 2066.2009 1954.9602 107.4150 -205793.4676 17557.4736 0.0000 0.0000 34421.0684 -148966.1540 300.6078 -183387.2224 -148868.2817 299.6273 -69.7584 -30.7060 556787.3597 -14.0561 -14.0250 PRESSURE: 335200 79.2907 -176.204 30.8375 -176.204 -67.7046 64.5711 30.8367 64.5714 101.569 GPRESSURE: 335200 138.242 -176.451 56.8899 -178.154 -20.24 48.4634 71.1702 77.3098 83.1689 PRESSAVG: 335200 61.1467 -22.5618 20.9858 -22.5618 -28.4666 36.4805 20.9858 36.4805 -26.4728 GPRESSAVG: 335200 59.7545 -21.0257 22.7394 -22.274 -27.7947 36.4188 21.8221 37.5939 -25.8221 TIMING: 335200 CPU: 968.171, 0.00289132/step Wall: 968.171, 0.00289132/step, 3.74651 hours remaining, 205.542969 MB of memory in use. ENERGY: 335200 764.6528 2105.7818 1908.9459 112.7790 -206287.2505 17854.6850 0.0000 0.0000 34629.2798 -148911.1261 302.4261 -183540.4060 -148809.7243 300.0668 37.7182 67.0568 554842.9440 2.0691 2.0459 PRESSURE: 335400 127.377 -24.07 -111.439 -24.0709 -130.877 6.60812 -111.438 6.60746 -96.0971 GPRESSURE: 335400 131.73 -35.5496 -141.833 0.59201 -65.6634 49.8773 -94.8971 18.2659 -72.0464 PRESSAVG: 335400 -27.6392 26.4971 -21.532 26.497 40.4814 45.6439 -21.532 45.6438 20.4426 GPRESSAVG: 335400 -27.155 24.9694 -20.1886 27.6743 39.794 46.5644 -20.7251 45.7019 20.0109 TIMING: 335400 CPU: 968.75, 0.00289446/step Wall: 968.75, 0.00289446/step, 3.75042 hours remaining, 205.542969 MB of memory in use. ENERGY: 335400 758.3326 2095.0207 1936.9992 114.7712 -205890.9633 17865.7465 0.0000 0.0000 34214.6600 -148905.4332 298.8051 -183120.0932 -148815.9558 300.5580 -33.1989 -1.9932 558522.6504 11.0949 10.8833 PRESSURE: 335600 331.936 -22.0703 -27.8453 -22.0708 162.877 -1.21869 -27.8459 -1.21874 31.7899 GPRESSURE: 335600 317.742 17.7181 -27.8447 39.8969 230.313 -54.5248 72.6127 -31.6169 75.9107 PRESSAVG: 335600 6.56819 22.3845 23.7259 22.3845 47.5977 -35.728 23.7259 -35.728 -13.2163 GPRESSAVG: 335600 5.97249 23.0152 20.9235 21.8195 48.8708 -37.8356 24.1185 -35.601 -13.7032 TIMING: 335600 CPU: 969.326, 0.00288121/step Wall: 969.326, 0.00288121/step, 3.73309 hours remaining, 205.542969 MB of memory in use. ENERGY: 335600 706.5011 2078.4951 1979.7980 110.9199 -206070.8590 17812.9860 0.0000 0.0000 34362.3978 -149019.7612 300.0954 -183382.1590 -148925.3410 299.7038 175.5342 207.9884 557493.6432 13.6499 13.7134 PRESSURE: 335800 -139.447 160.724 -76.808 160.724 156.433 -160.857 -76.8083 -160.856 -218.397 GPRESSURE: 335800 -127.332 182.3 -28.8949 146.038 182.002 -19.8461 -90.4804 -176.277 -161.433 PRESSAVG: 335800 32.6024 26.5176 18.7929 26.5175 6.62382 -14.5419 18.7928 -14.5418 -47.8837 GPRESSAVG: 335800 33.7264 26.4254 18.4185 26.7236 5.40735 -11.4052 18.987 -16.162 -47.8157 TIMING: 335800 CPU: 969.904, 0.00288989/step Wall: 969.904, 0.00288989/step, 3.74418 hours remaining, 205.542969 MB of memory in use. ENERGY: 335800 753.6713 2084.0718 1971.4325 110.4280 -206051.3643 17730.8760 0.0000 0.0000 34469.1136 -148931.7712 301.0273 -183400.8848 -148832.8512 299.7887 -67.1369 -35.5879 557643.7577 -2.8858 -2.8940 PRESSURE: 336000 77.4801 -111.405 55.9445 -111.405 -58.8788 233.082 55.9449 233.082 -182.147 GPRESSURE: 336000 51.8521 -181.793 104.774 -123.597 -17.9618 229.839 17.3331 183.768 -102.252 PRESSAVG: 336000 29.7483 58.984 -51.2336 58.9841 45.0291 60.1866 -51.2335 60.1865 -18.285 GPRESSAVG: 336000 28.533 58.4843 -51.6947 59.046 44.5241 56.5877 -50.8436 62.7185 -16.866 TIMING: 336000 CPU: 970.48, 0.00287878/step Wall: 970.48, 0.00287878/step, 3.72962 hours remaining, 205.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 336000 768.1906 2099.7518 1975.8060 112.2088 -205987.2081 17587.2767 0.0000 0.0000 34298.6881 -149145.2861 299.5390 -183443.9742 -149052.1940 299.6627 -54.5152 -22.7873 556183.4969 18.8308 18.7303 PRESSURE: 336200 339.391 161.161 41.571 161.161 88.3475 -39.9602 41.5693 -39.9606 149.087 GPRESSURE: 336200 338.755 156.153 27.1198 154.976 166.83 -15.9226 64.7878 -21.6919 183.713 PRESSAVG: 336200 10.0247 32.8736 64.3893 32.8737 15.0762 11.9188 64.3894 11.9187 -39.6882 GPRESSAVG: 336200 10.5913 33.2777 64.8634 32.1239 16.602 14.5381 63.3945 10.399 -41.4249 TIMING: 336200 CPU: 971.057, 0.00288183/step Wall: 971.057, 0.00288183/step, 3.73341 hours remaining, 205.542969 MB of memory in use. ENERGY: 336200 753.9320 2057.2125 1932.7178 118.8270 -206551.3455 18062.1519 0.0000 0.0000 34527.5269 -149098.9774 301.5375 -183626.5043 -149005.9419 299.1536 192.2753 229.7659 557211.4529 -4.8624 -4.7439 LDB: ============= START OF LOAD BALANCING ============== 974.441 LDB: ============== END OF LOAD BALANCING =============== 974.441 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 974.443 LDB: ============= START OF LOAD BALANCING ============== 974.731 LDB: Largest compute 4822 load 0.024966 is 21.2% of average load 0.117812 LDB: Average compute 0.001711 is 1.5% of average load 0.117812 LDB: TIME 974.733 LOAD: AVG 0.117812 MAX 0.179366 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.543 MB LDB: TIME 974.733 LOAD: AVG 0.117812 MAX 0.179366 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.605 MB LDB: TIME 974.733 LOAD: AVG 0.117812 MAX 0.179366 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 974.735 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 974.739 PRESSURE: 336400 -133.394 -108.491 -146.503 -108.491 218.491 -161.927 -146.503 -161.929 -5.96408 GPRESSURE: 336400 -37.418 -99.2816 -205.235 -63.4009 175.345 -147.337 -148.848 -122.996 15.4547 PRESSAVG: 336400 78.2723 -23.1235 6.29655 -23.1235 14.2641 -33.7781 6.29649 -33.7781 -89.0994 GPRESSAVG: 336400 78.1406 -25.4948 7.75042 -21.9109 13.8104 -34.196 4.05729 -33.1506 -88.7242 TIMING: 336400 CPU: 971.644, 0.00293604/step Wall: 971.644, 0.00293604/step, 3.80347 hours remaining, 206.242188 MB of memory in use. ENERGY: 336400 729.0273 2097.3100 1944.1395 108.9250 -205781.3224 17573.0669 0.0000 0.0000 34265.0732 -149063.7806 299.2454 -183328.8538 -148963.4826 299.4588 26.3778 51.1274 557988.7149 1.1457 1.0756 PRESSURE: 336600 148.474 -130.136 -37.4744 -130.136 228.248 -68.1149 -37.4749 -68.1145 84.7933 GPRESSURE: 336600 183.783 -149.848 -9.16546 -91.0137 222.066 -0.130892 -27.9239 -142.555 150.352 PRESSAVG: 336600 -28.8273 7.00617 7.83008 7.00622 -34.6131 -13.3463 7.83006 -13.3464 6.99556 GPRESSAVG: 336600 -28.9264 6.35211 7.33284 5.99972 -35.4914 -14.7082 10.7199 -13.9851 8.60179 TIMING: 336600 CPU: 972.219, 0.00287767/step Wall: 972.219, 0.00287767/step, 3.7277 hours remaining, 206.445312 MB of memory in use. ENERGY: 336600 757.0892 2053.7625 1933.4382 103.6333 -206247.4891 17975.5987 0.0000 0.0000 34245.4816 -149178.4858 299.0743 -183423.9674 -149083.8453 299.3270 153.8384 185.4006 556181.9337 -18.8150 -18.6053 PRESSURE: 336800 -150.392 -174.286 -152.933 -174.287 2.48059 -40.6566 -152.933 -40.6565 189.975 GPRESSURE: 336800 -105.514 -214.568 -141.872 -94.9699 49.0197 -13.2653 -194.757 -61.6179 193.123 PRESSAVG: 336800 -31.4409 3.7123 22.9783 3.71233 37.1417 -9.62608 22.9782 -9.62617 24.3862 GPRESSAVG: 336800 -31.2119 7.51848 21.5112 3.07661 38.6075 -8.54129 21.9578 -9.87975 22.8004 TIMING: 336800 CPU: 972.797, 0.00289023/step Wall: 972.797, 0.00289023/step, 3.74381 hours remaining, 206.445312 MB of memory in use. ENERGY: 336800 735.1279 2075.4283 1923.3770 113.4810 -206427.8422 17880.9451 0.0000 0.0000 34415.0275 -149284.4554 300.5550 -183699.4829 -149197.5679 300.1449 14.0210 45.5427 556976.3858 10.0290 10.0653 PRESSURE: 337000 190.948 28.2404 51.4048 28.2413 171.66 -188.107 51.4055 -188.108 125.008 GPRESSURE: 337000 219.135 29.9723 107.582 18.551 189.534 -212.264 57.6012 -94.8443 177 PRESSAVG: 337000 -11.0104 -29.9073 7.91583 -29.9073 -24.8905 19.2567 7.91587 19.2567 63.9973 GPRESSAVG: 337000 -10.762 -29.9071 6.92181 -31.5647 -25.3914 18.6375 9.20647 20.2569 64.2829 TIMING: 337000 CPU: 973.371, 0.00287065/step Wall: 973.371, 0.00287065/step, 3.71829 hours remaining, 206.644531 MB of memory in use. ENERGY: 337000 697.2866 2104.5712 1938.6307 107.3350 -206576.7370 18108.4874 0.0000 0.0000 34158.8583 -149461.5678 298.3178 -183620.4261 -149372.1323 299.1472 162.5388 195.2230 555380.9524 9.3655 9.3765 PRESSURE: 337200 53.6472 91.1444 -101.385 91.1441 -233.074 -168.578 -101.385 -168.578 78.7353 GPRESSURE: 337200 39.1955 56.9571 -96.8795 25.2823 -161.534 -134.668 -34.445 2.80271 108.942 PRESSAVG: 337200 -29.623 7.08123 52.5611 7.08121 -6.14575 -32.6074 52.561 -32.6074 3.60278 GPRESSAVG: 337200 -29.0519 4.52328 55.949 9.74052 -6.81034 -31.6716 50.2331 -32.6618 3.033 TIMING: 337200 CPU: 973.946, 0.00287429/step Wall: 973.946, 0.00287429/step, 3.72285 hours remaining, 206.644531 MB of memory in use. ENERGY: 337200 748.4274 2041.4346 1949.6284 103.4422 -206289.9999 17730.1549 0.0000 0.0000 34522.1516 -149194.7608 301.4905 -183716.9123 -149092.2773 298.9027 -33.5640 -4.4655 555494.9238 -10.7220 -10.9431 PRESSURE: 337400 32.5497 -113.565 14.9063 -113.564 80.775 -81.725 14.9046 -81.7236 -91.5506 GPRESSURE: 337400 48.6396 -78.495 -99.2651 -145.926 98.4562 -53.9435 26.0411 -94.7474 -10.2338 PRESSAVG: 337400 21.5267 -77.5791 23.3377 -77.5791 51.5622 -8.73544 23.3377 -8.73533 -65.8771 GPRESSAVG: 337400 20.4974 -76.5109 20.5687 -80.9485 52.6453 -8.93729 25.1857 -8.5116 -66.2648 TIMING: 337400 CPU: 974.521, 0.0028719/step Wall: 974.521, 0.00287191/step, 3.7196 hours remaining, 206.644531 MB of memory in use. ENERGY: 337400 755.0331 2072.9689 2001.7842 113.8552 -206150.4867 17789.2717 0.0000 0.0000 34248.2655 -149169.3081 299.0986 -183417.5736 -149076.8127 298.8919 7.2580 45.6207 556144.1051 2.4039 2.2926 PRESSURE: 337600 -46.9355 20.8896 30.4083 20.8902 74.9746 -54.3406 30.4079 -54.3421 -61.7586 GPRESSURE: 337600 -7.12477 89.4646 19.7297 19.9492 82.9158 28.7493 57.0574 -11.5786 -9.20644 PRESSAVG: 337600 -18.9313 -20.9378 -6.28114 -20.9378 65.293 3.80819 -6.28113 3.80811 -34.966 GPRESSAVG: 337600 -19.0334 -23.0013 -3.45328 -19.0131 65.9382 3.54998 -7.67433 3.48388 -35.409 TIMING: 337600 CPU: 975.093, 0.00285934/step Wall: 975.093, 0.00285934/step, 3.70316 hours remaining, 206.644531 MB of memory in use. ENERGY: 337600 728.0023 2105.4635 1941.5998 113.8066 -206573.9943 17962.4760 0.0000 0.0000 34426.8412 -149295.8048 300.6582 -183722.6460 -149193.2797 299.8334 -11.2398 22.1949 556977.7226 3.7986 3.8319 PRESSURE: 337800 -65.6628 56.8924 89.0081 56.8929 -202.106 104.775 89.0085 104.776 -217.284 GPRESSURE: 337800 -44.2343 144.005 183.024 51.0302 -145.043 101.687 -28.904 62.3892 -195.194 PRESSAVG: 337800 -70.6641 -20.2544 -33.3712 -20.2544 80.8145 -2.71584 -33.3712 -2.71581 -23.9621 GPRESSAVG: 337800 -71.446 -20.3931 -34.5337 -19.5433 80.3526 -0.202505 -32.781 -4.84861 -22.7657 TIMING: 337800 CPU: 975.665, 0.00286337/step Wall: 975.665, 0.00286337/step, 3.70823 hours remaining, 206.644531 MB of memory in use. ENERGY: 337800 769.0140 2096.7300 1918.8098 110.3149 -206125.2824 17515.1692 0.0000 0.0000 34330.2121 -149385.0325 299.8143 -183715.2446 -149295.7138 299.3455 -161.6840 -128.1570 555548.9019 -4.6039 -4.6197 PRESSURE: 338000 -25.5218 -14.8813 61.1277 -14.8819 69.1862 -20.2133 61.1277 -20.2136 312.612 GPRESSURE: 338000 57.6288 0.295564 27.594 33.4513 54.4908 -50.0381 164.207 43.8058 335.465 PRESSAVG: 338000 -24.9884 -48.4387 30.5763 -48.4387 13.366 -10.0756 30.5763 -10.0757 27.9945 GPRESSAVG: 338000 -24.1978 -47.4506 31.9703 -47.8165 13.2051 -11.1741 30.8574 -8.52674 27.9418 TIMING: 338000 CPU: 976.246, 0.00290288/step Wall: 976.246, 0.00290288/step, 3.75923 hours remaining, 206.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 338000 741.8186 2059.4115 1960.2028 128.3725 -206578.4498 17999.0994 0.0000 0.0000 34287.2641 -149402.2809 299.4392 -183689.5450 -149293.3130 299.0696 118.7588 149.1947 555910.2926 5.4574 5.6497 PRESSURE: 338200 -123.16 -59.9858 -146.943 -59.9852 76.3296 124.235 -146.943 124.235 -83.1096 GPRESSURE: 338200 -66.3307 -87.9792 -123.879 32.3499 76.345 146.105 -124.41 95.6808 -45.9562 PRESSAVG: 338200 9.20799 10.0331 26.6293 10.0331 27.2594 14.9468 26.6293 14.9469 -49.9596 GPRESSAVG: 338200 8.86783 10.9508 26.6551 7.59233 27.4012 13.5399 25.7237 15.162 -50.4162 TIMING: 338200 CPU: 976.82, 0.00287098/step Wall: 976.82, 0.00287098/step, 3.71776 hours remaining, 206.644531 MB of memory in use. ENERGY: 338200 715.3650 2151.4413 1943.9306 108.9049 -205942.7469 17697.3293 0.0000 0.0000 34137.4232 -149188.3525 298.1306 -183325.7757 -149096.9940 299.1689 -43.3132 -11.9806 558895.9764 -4.4974 -4.7157 PRESSURE: 338400 -18.9507 97.5096 -28.4916 97.5083 242.195 173.09 -28.4924 173.089 -345.035 GPRESSURE: 338400 -34.6064 125.008 -28.5175 57.5337 181.806 189.876 -48.4919 153.872 -170.023 PRESSAVG: 338400 -9.19007 53.2494 -23.9634 53.2494 48.9975 -3.95829 -23.9634 -3.95847 -59.4943 GPRESSAVG: 338400 -8.53088 51.892 -24.2579 53.8692 48.2171 -3.84683 -24.6757 -4.06254 -59.6536 TIMING: 338400 CPU: 977.392, 0.00286082/step Wall: 977.392, 0.00286082/step, 3.70444 hours remaining, 206.644531 MB of memory in use. ENERGY: 338400 756.4393 2098.5042 1971.6403 99.8467 -205937.0277 17588.8671 0.0000 0.0000 34052.0099 -149369.7202 297.3847 -183421.7301 -149270.0984 297.8224 -40.5969 -7.6077 557386.8229 -6.5623 -6.6558 PRESSURE: 338600 -18.101 119.911 -165.959 119.91 -45.1884 -49.1881 -165.958 -49.1885 -142.683 GPRESSURE: 338600 77.7753 162.347 -127.442 104.439 -28.1976 39.1198 -76.3444 -99.2 -161.958 PRESSAVG: 338600 92.8316 8.696 56.2333 8.6959 84.5085 49.7719 56.2333 49.7718 -109.371 GPRESSAVG: 338600 92.3893 8.80568 55.4198 9.54163 85.1292 49.7962 58.109 50.4767 -109.614 TIMING: 338600 CPU: 977.964, 0.00285853/step Wall: 977.964, 0.00285853/step, 3.70131 hours remaining, 206.644531 MB of memory in use. ENERGY: 338600 776.9076 2094.0630 1949.5339 114.1731 -206515.7915 17743.9593 0.0000 0.0000 34191.0725 -149646.0822 298.5991 -183837.1546 -149554.2222 298.2584 -68.6574 -37.4600 558152.5229 22.6565 22.6347 PRESSURE: 338800 102.942 42.8104 -44.0194 42.811 -25.2237 53.2801 -44.0194 53.2797 -337.55 GPRESSURE: 338800 110.851 70.5765 -34.4884 18.4526 -37.5556 70.4041 -48.0541 99.2798 -228.834 PRESSAVG: 338800 -6.11563 -17.4572 43.2591 -17.4572 89.4236 44.4035 43.2591 44.4034 -87.5259 GPRESSAVG: 338800 -6.49754 -16.1343 45.2278 -16.5242 88.6124 44.3507 41.2552 43.4015 -86.3988 TIMING: 338800 CPU: 978.537, 0.00286439/step Wall: 978.537, 0.00286439/step, 3.70875 hours remaining, 206.644531 MB of memory in use. ENERGY: 338800 726.5341 2130.9323 1961.6249 109.3079 -206572.7245 17713.5151 0.0000 0.0000 34271.0694 -149659.7408 299.2978 -183930.8102 -149569.0086 297.6344 -86.6108 -51.8465 556715.6930 -1.4060 -1.4280 PRESSURE: 339000 46.9926 130.125 -58.6199 130.126 -57.3597 -99.8356 -58.6207 -99.836 31.1216 GPRESSURE: 339000 65.3163 155.635 -142.576 37.3552 22.9004 -150.183 -36.311 -33.8942 37.3114 PRESSAVG: 339000 44.6068 2.51172 7.46335 2.51173 -9.65986 30.9709 7.46335 30.9708 12.3105 GPRESSAVG: 339000 44.2876 1.86968 5.44325 1.53777 -9.41376 27.8578 10.7435 32.0969 11.8798 TIMING: 339000 CPU: 979.113, 0.00288123/step Wall: 979.113, 0.00288123/step, 3.7304 hours remaining, 206.644531 MB of memory in use. ENERGY: 339000 751.4277 2097.0480 1933.0220 109.3597 -206194.6678 17570.2987 0.0000 0.0000 34184.3305 -149549.1812 298.5403 -183733.5117 -149460.2237 299.2879 6.9182 41.8427 556814.9393 15.7525 15.5846 PRESSURE: 339200 97.3578 -45.6295 -20.768 -45.6295 1.84472 -134.615 -20.7689 -134.614 -109.225 GPRESSURE: 339200 162.503 -82.1099 43.2404 -3.92978 17.3971 -134.206 -13.0385 -63.2568 -89.2986 PRESSAVG: 339200 12.4216 32.7561 4.58555 32.7562 47.6399 5.1891 4.58571 5.18913 -59.175 GPRESSAVG: 339200 13.702 30.9927 5.64257 32.0639 46.9804 7.57071 1.77605 6.14629 -58.9864 TIMING: 339200 CPU: 979.686, 0.00286539/step Wall: 979.686, 0.00286539/step, 3.70972 hours remaining, 206.644531 MB of memory in use. ENERGY: 339200 755.2557 2111.0339 1960.0997 115.7422 -206608.0639 17809.0266 0.0000 0.0000 34147.1155 -149709.7903 298.2153 -183856.9058 -149605.8164 298.7751 -3.3408 30.2005 555995.6254 0.2955 0.5653 PRESSURE: 339400 144.201 -19.2604 37.901 -19.2609 37.642 -114.713 37.9011 -114.711 -273.341 GPRESSURE: 339400 182.795 -81.4679 -32.1001 20.2323 38.8291 -116.095 28.7195 -94.3099 -209.537 PRESSAVG: 339400 52.2732 21.5766 42.026 21.5766 66.9571 -20.6504 42.0259 -20.6504 -93.8082 GPRESSAVG: 339400 51.0143 22.5207 40.2326 22.576 68.4681 -20.5178 44.1738 -22.6845 -94.0269 TIMING: 339400 CPU: 980.259, 0.00286551/step Wall: 980.259, 0.00286551/step, 3.70972 hours remaining, 206.644531 MB of memory in use. ENERGY: 339400 711.6351 2117.7672 1975.1161 121.8029 -206435.3390 17740.7038 0.0000 0.0000 34189.3592 -149578.9547 298.5842 -183768.3139 -149486.5524 298.4845 -30.4995 4.0292 555497.8449 8.4740 8.4851 PRESSURE: 339600 32.9803 64.998 79.2567 64.998 -58.7816 31.4097 79.2573 31.4089 -0.111471 GPRESSURE: 339600 63.4541 23.4734 190.277 100.468 -96.6215 18.4581 26.8772 48.5091 109.23 PRESSAVG: 339600 5.78766 7.67095 17.4043 7.67094 4.07665 -31.3547 17.4043 -31.3546 -15.6021 GPRESSAVG: 339600 6.05697 6.74434 17.5712 8.32048 3.61517 -30.097 16.647 -29.3688 -15.5816 TIMING: 339600 CPU: 980.838, 0.00289559/step Wall: 980.838, 0.00289559/step, 3.7485 hours remaining, 206.644531 MB of memory in use. ENERGY: 339600 769.2656 2093.9477 1937.6387 119.4290 -206069.6222 17742.5563 0.0000 0.0000 34024.7800 -149382.0048 297.1469 -183406.7848 -149291.0936 298.4976 -8.6376 25.3541 557172.1976 -1.9126 -1.9698 PRESSURE: 339800 95.1816 -188.956 -123.699 -188.955 -197.658 -81.6592 -123.697 -81.658 -20.6574 GPRESSURE: 339800 123.084 -126.114 -138.754 -207.26 -182.506 -134.654 -119.65 -92.7275 37.9091 PRESSAVG: 339800 71.9674 15.5789 -0.0598548 15.5788 -4.59696 46.3615 -0.0599648 46.3616 -52.3787 GPRESSAVG: 339800 72.9174 15.4218 1.60486 14.3776 -5.30621 46.901 -0.564251 42.8868 -52.4526 TIMING: 339800 CPU: 981.414, 0.00288068/step Wall: 981.414, 0.00288068/step, 3.72904 hours remaining, 206.644531 MB of memory in use. ENERGY: 339800 738.9214 2072.1256 1959.4814 117.8968 -205973.9457 17689.3532 0.0000 0.0000 34152.9207 -149243.2465 298.2660 -183396.1672 -149140.2210 298.4693 -41.0448 -7.1709 557536.8680 4.9972 5.0529 PRESSURE: 340000 -171.351 111.45 -119.043 111.45 -15.7009 25.8332 -119.042 25.8342 -158.476 GPRESSURE: 340000 -132.971 135.666 -151.106 74.2188 5.68541 56.8343 -148.282 19.8534 -111.653 PRESSAVG: 340000 29.0552 10.2116 33.8034 10.2118 14.5105 -9.61495 33.8035 -9.61488 -57.8739 GPRESSAVG: 340000 27.6909 13.4448 32.1954 10.1143 16.6691 -10.3004 34.0147 -8.58294 -58.2255 TIMING: 340000 CPU: 981.992, 0.00288891/step Wall: 981.992, 0.00288891/step, 3.73953 hours remaining, 206.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 340000 745.6207 2096.6409 1941.3502 106.0463 -205813.9239 17609.5444 0.0000 0.0000 34089.2160 -149225.5055 297.7096 -183314.7215 -149129.6458 299.2181 -115.1758 -79.6461 557716.6882 -4.7694 -4.6218 PRESSURE: 340200 76.4378 143.954 -97.3074 143.953 -250.522 -70.867 -97.3076 -70.8664 242.537 GPRESSURE: 340200 129.139 159.231 -95.2769 168.401 -195.333 -112.241 -105.481 11.9195 236.018 PRESSAVG: 340200 49.1761 61.4368 0.654243 61.4368 -43.6601 44.4569 0.654266 44.4567 46.4288 GPRESSAVG: 340200 49.8864 59.0604 0.603085 62.7961 -44.3882 43.9399 -0.42281 45.283 46.2544 TIMING: 340200 CPU: 982.563, 0.00285362/step Wall: 982.563, 0.00285362/step, 3.6937 hours remaining, 206.644531 MB of memory in use. ENERGY: 340200 737.9566 2107.8704 1949.1184 112.4476 -206245.7629 17805.3209 0.0000 0.0000 34330.6316 -149202.4175 299.8179 -183533.0491 -149104.5789 298.5813 22.8177 56.6080 556884.2420 17.3149 17.2509 LDB: ============= START OF LOAD BALANCING ============== 985.946 LDB: ============== END OF LOAD BALANCING =============== 985.946 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 985.948 LDB: ============= START OF LOAD BALANCING ============== 986.236 LDB: Largest compute 4822 load 0.024704 is 21.0% of average load 0.117831 LDB: Average compute 0.001718 is 1.5% of average load 0.117831 LDB: TIME 986.238 LOAD: AVG 0.117831 MAX 0.179506 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.801 MB LDB: TIME 986.239 LOAD: AVG 0.117831 MAX 0.179506 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.801 MB LDB: TIME 986.239 LOAD: AVG 0.117831 MAX 0.179506 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.801 MB LDB: ============== END OF LOAD BALANCING =============== 986.241 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 986.245 PRESSURE: 340400 -466.592 18.6522 -53.3643 18.6533 -91.9459 38.5341 -53.3633 38.5341 -368.946 GPRESSURE: 340400 -388.942 5.84935 -31.6688 -101.752 -92.1539 44.5848 -96.5428 19.693 -350.651 PRESSAVG: 340400 46.4816 9.15315 -46.5285 9.15312 -66.2345 42.356 -46.5285 42.3559 1.55564 GPRESSAVG: 340400 46.2563 9.01875 -44.0077 8.05659 -67.0056 43.5906 -48.5652 40.9786 2.33648 TIMING: 340400 CPU: 983.149, 0.00293113/step Wall: 983.149, 0.00293113/step, 3.79385 hours remaining, 206.882812 MB of memory in use. ENERGY: 340400 757.6399 2074.3999 1957.9196 114.6337 -205680.4023 17300.3846 0.0000 0.0000 34338.4017 -149137.0229 299.8858 -183475.4245 -149034.0036 299.5227 -309.1614 -277.2491 558608.0032 -6.0658 -6.1376 PRESSURE: 340600 2.24484 -65.7646 -29.6696 -65.7636 -60.6864 -45.8641 -29.6706 -45.8627 9.83014 GPRESSURE: 340600 36.9121 -46.5145 -69.456 -29.5563 -32.3422 -43.7342 90.7447 -9.17356 41.4215 PRESSAVG: 340600 44.0584 -44.0649 -40.3245 -44.0652 41.2506 9.51165 -40.3245 9.51164 -31.3866 GPRESSAVG: 340600 43.5639 -42.0204 -42.5868 -44.6418 41.7729 8.02984 -37.9439 11.5836 -31.5377 TIMING: 340600 CPU: 983.722, 0.00286657/step Wall: 983.722, 0.00286657/step, 3.71014 hours remaining, 207.085938 MB of memory in use. ENERGY: 340600 774.3785 2069.2557 1959.2618 114.3525 -205818.9586 17647.7645 0.0000 0.0000 34275.2096 -148978.7359 299.3339 -183253.9455 -148880.2418 299.6746 -16.2038 15.3305 559065.7843 17.9741 17.9330 PRESSURE: 340800 -138.876 10.3868 -59.0297 10.386 -8.01764 -53.471 -59.0291 -53.4698 -211.148 GPRESSURE: 340800 -106.967 -62.4874 -4.61103 14.2915 16.3502 24.8408 -39.2626 -82.7621 -176.231 PRESSAVG: 340800 15.5075 -45.9194 -41.4002 -45.9194 3.65678 8.82563 -41.4002 8.82565 -17.1721 GPRESSAVG: 340800 14.8165 -46.8319 -40.949 -45.2827 4.00088 11.6873 -42.1334 4.78262 -17.1622 TIMING: 340800 CPU: 984.306, 0.00291995/step Wall: 984.306, 0.00291994/step, 3.77906 hours remaining, 207.085938 MB of memory in use. ENERGY: 340800 733.4319 2094.2710 1954.0536 111.7851 -205607.6549 17442.1373 0.0000 0.0000 34272.0647 -148999.9113 299.3065 -183271.9760 -148895.1930 299.4943 -119.3472 -88.9493 558997.7749 0.6641 0.5517 PRESSURE: 341000 -33.2329 7.90769 -215.983 7.90882 -71.0417 -193.668 -215.984 -193.666 -385.53 GPRESSURE: 341000 -44.1037 11.6489 -187.493 91.8194 -0.850437 -212.693 -239.049 -181.991 -344.894 PRESSAVG: 341000 3.99629 -50.2143 -19.1573 -50.2142 34.0006 -23.7813 -19.1573 -23.7812 -12.5041 GPRESSAVG: 341000 4.57287 -49.5551 -19.5202 -49.5285 33.0954 -26.624 -18.0354 -20.7413 -12.3169 TIMING: 341000 CPU: 984.886, 0.00289584/step Wall: 984.886, 0.00289584/step, 3.74771 hours remaining, 207.085938 MB of memory in use. ENERGY: 341000 702.0973 2136.6087 1935.2508 99.2422 -205433.8302 17325.7492 0.0000 0.0000 34311.2782 -148923.6037 299.6489 -183234.8819 -148825.3830 299.7292 -163.2681 -129.9493 558405.4066 8.4976 8.4505 PRESSURE: 341200 -91.5486 27.6194 5.80576 27.6186 142.096 -15.9214 5.80567 -15.9208 -73.3232 GPRESSURE: 341200 -52.8497 -0.99587 43.355 0.286671 158.329 -36.3218 15.5528 84.5735 -25.0091 PRESSAVG: 341200 4.0103 -35.088 -86.3049 -35.0881 47.8581 -49.1512 -86.305 -49.1511 -53.6942 GPRESSAVG: 341200 4.12989 -35.1347 -86.2598 -36.2882 47.1356 -48.9988 -86.5425 -48.779 -52.6419 TIMING: 341200 CPU: 985.461, 0.00287854/step Wall: 985.461, 0.00287854/step, 3.72515 hours remaining, 207.085938 MB of memory in use. ENERGY: 341200 700.2413 2125.1573 1951.1111 108.3251 -205745.7153 17697.0495 0.0000 0.0000 34196.0116 -148967.8194 298.6423 -183163.8310 -148873.2030 299.9818 -7.5919 26.8234 558816.2060 -0.6086 -0.4588 PRESSURE: 341400 -159.085 50.3021 118.781 50.3034 14.6212 -107.161 118.78 -107.159 -332.068 GPRESSURE: 341400 -75.2204 54.9388 99.5642 86.7808 23.1494 -134.627 171.987 -143.353 -327.355 PRESSAVG: 341400 -26.8117 18.9999 7.16004 19 36.299 31.6257 7.16007 31.6257 -38.4213 GPRESSAVG: 341400 -27.4229 19.0847 6.67594 20.5009 36.5562 32.908 8.32271 30.0844 -38.481 TIMING: 341400 CPU: 986.038, 0.00288328/step Wall: 986.038, 0.00288328/step, 3.73112 hours remaining, 207.226562 MB of memory in use. ENERGY: 341400 765.3334 2044.7190 1936.8328 101.1390 -205832.6786 17645.6825 0.0000 0.0000 34198.8773 -149140.0945 298.6673 -183338.9718 -149044.7544 299.9975 -158.8439 -126.4752 557397.4731 -9.6446 -9.7826 PRESSURE: 341600 196.265 187.076 -65.3076 187.076 -21.7679 33.7355 -65.308 33.7349 18.8775 GPRESSURE: 341600 239.231 189.888 -81.4364 208.568 56.836 -72.8531 -21.0232 81.3934 4.66633 PRESSAVG: 341600 52.1998 10.6681 -16.1178 10.668 -11.6316 -28.561 -16.1177 -28.561 -8.9624 GPRESSAVG: 341600 52.9637 10.3316 -13.6748 7.67642 -11.9086 -29.5697 -19.6989 -27.974 -9.69711 TIMING: 341600 CPU: 986.613, 0.00287691/step Wall: 986.613, 0.00287691/step, 3.72272 hours remaining, 207.226562 MB of memory in use. ENERGY: 341600 770.2104 2098.4423 1923.3086 105.1733 -206460.6480 18095.8022 0.0000 0.0000 34406.7440 -149060.9673 300.4827 -183467.7113 -148968.5085 300.0076 64.4581 100.2446 558543.4214 10.5353 10.4526 PRESSURE: 341800 342.876 -100.46 -123.925 -100.46 56.7649 -110.096 -123.926 -110.096 331.053 GPRESSURE: 341800 369.474 -40.1371 -105.539 -43.468 111.421 -129.426 -48.2256 -107.095 332.555 PRESSAVG: 341800 5.4696 -25.0768 -89.9232 -25.0768 -11.1752 -18.8235 -89.9232 -18.8236 -6.51829 GPRESSAVG: 341800 3.94554 -25.092 -90.6397 -23.1427 -9.92191 -17.9255 -88.2915 -20.4547 -6.58918 TIMING: 341800 CPU: 987.195, 0.00290703/step Wall: 987.195, 0.00290703/step, 3.76154 hours remaining, 207.226562 MB of memory in use. ENERGY: 341800 755.3282 2182.5978 1910.3689 109.9589 -206885.8856 18373.7125 0.0000 0.0000 34298.7461 -149255.1731 299.5395 -183553.9192 -149161.8422 299.6599 243.5648 271.1500 556430.6481 -4.0746 -4.1885 PRESSURE: 342000 -24.5561 46.0461 88.9851 46.0441 244.076 30.0592 88.9851 30.0595 313.928 GPRESSURE: 342000 43.2423 56.9282 155.599 7.28925 251.871 -76.1614 -4.49104 54.6043 335.249 PRESSAVG: 342000 -90.8852 11.8183 14.8125 11.8183 -3.28564 -15.9433 14.8125 -15.9433 100.289 GPRESSAVG: 342000 -90.0708 11.221 15.2032 12.0563 -4.98972 -19.0077 14.7645 -12.3874 100.936 TIMING: 342000 CPU: 987.776, 0.00290592/step Wall: 987.776, 0.00290592/step, 3.75993 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 342000 722.0489 2157.3014 1909.8087 111.4831 -206400.4606 17987.8976 0.0000 0.0000 34188.7026 -149323.2183 298.5784 -183511.9210 -149221.1433 299.3804 177.8160 210.1206 555632.2233 2.0394 1.9586 PRESSURE: 342200 -129.941 -45.9472 70.1372 -45.9465 108.967 -94.7821 70.1375 -94.7827 -196.496 GPRESSURE: 342200 -74.6082 -54.1748 32.5031 -31.4448 125.246 -42.7036 138.072 -37.5348 -169.182 PRESSAVG: 342200 -46.2949 61.6243 -41.6893 61.6244 51.9503 -5.09542 -41.6893 -5.09538 2.58882 GPRESSAVG: 342200 -45.6953 62.1629 -43.1623 61.4058 51.5872 -0.957223 -40.1838 -7.51007 2.35724 TIMING: 342200 CPU: 988.358, 0.0029095/step Wall: 988.358, 0.0029095/step, 3.7644 hours remaining, 207.226562 MB of memory in use. ENERGY: 342200 740.5483 2187.8939 1961.4479 121.2954 -206545.6608 17906.4350 0.0000 0.0000 34229.9456 -149398.0947 298.9386 -183628.0403 -149300.5291 299.3518 -72.4900 -39.5147 557589.9185 2.7481 2.7497 PRESSURE: 342400 -94.6476 244.244 8.06998 244.244 -162.34 89.6618 8.06958 89.6618 -101.111 GPRESSURE: 342400 -84.63 159.434 35.1615 245.758 -129.06 96.9545 27.8818 83.98 -41.1898 PRESSAVG: 342400 -72.6793 24.6042 -20.7661 24.6041 43.4033 0.11894 -20.7661 0.118881 8.67085 GPRESSAVG: 342400 -72.8664 25.8424 -19.3033 24.7879 43.7588 -2.34488 -21.96 0.38402 9.53005 TIMING: 342400 CPU: 988.939, 0.0029034/step Wall: 988.939, 0.0029034/step, 3.75635 hours remaining, 207.226562 MB of memory in use. ENERGY: 342400 727.3728 2124.0944 1941.3526 118.8676 -206445.9125 17761.7064 0.0000 0.0000 34137.8429 -149634.6759 298.1343 -183772.5188 -149534.7787 298.8772 -119.3663 -84.9599 558928.0659 -6.8684 -6.5259 PRESSURE: 342600 -236.626 -15.5426 113.253 -15.5429 -177.588 135.327 113.254 135.327 -92.7797 GPRESSURE: 342600 -194.362 22.2648 51.5848 -9.07847 -162.776 112.256 100.985 196.353 -37.2203 PRESSAVG: 342600 11.1865 -2.28589 11.6825 -2.28588 81.0412 7.30738 11.6826 7.30735 -79.3313 GPRESSAVG: 342600 10.3258 -3.10733 10.2076 -1.10999 81.1489 6.17601 12.0311 9.16225 -78.8808 TIMING: 342600 CPU: 989.517, 0.00289385/step Wall: 989.517, 0.00289385/step, 3.74384 hours remaining, 207.226562 MB of memory in use. ENERGY: 342600 744.7908 2124.5983 1938.2048 112.2326 -206134.0367 17651.0699 0.0000 0.0000 34087.1871 -149475.9533 297.6919 -183563.1403 -149373.1909 298.4199 -168.9979 -131.4525 559120.8076 4.2988 4.1980 PRESSURE: 342800 -180.183 30.2822 -17.0531 30.283 134.395 -21.8517 -17.0531 -21.8506 -214.691 GPRESSURE: 342800 -128.288 45.8816 -21.4254 100.356 128.188 -12.4346 14.481 20.4404 -167.752 PRESSAVG: 342800 -117.76 1.61058 -31.9143 1.61053 -2.57203 -25.0181 -31.9143 -25.0181 61.1827 GPRESSAVG: 342800 -117.234 0.101468 -30.2186 3.35915 -2.30528 -22.6571 -33.6679 -26.0115 60.4962 TIMING: 342800 CPU: 990.092, 0.00287528/step Wall: 990.092, 0.00287528/step, 3.71965 hours remaining, 207.226562 MB of memory in use. ENERGY: 342800 740.0763 2083.8355 1956.7174 124.4777 -206653.5138 17828.1342 0.0000 0.0000 34460.9736 -149459.2991 300.9563 -183920.2727 -149368.3753 298.4495 -86.8266 -55.9509 558028.8484 -19.7166 -19.6811 PRESSURE: 343000 -155.452 -111.247 105.983 -111.247 24.9606 -84.6323 105.981 -84.6337 192.277 GPRESSURE: 343000 -83.0749 -98.9478 178.039 -208.893 36.0824 -21.8776 78.0615 -106.244 196.335 PRESSAVG: 343000 -17.596 -13.1588 43.3345 -13.1588 -13.6014 -44.7052 43.3345 -44.7051 72.5504 GPRESSAVG: 343000 -17.991 -12.8175 42.9623 -14.8558 -14.6049 -45.5726 45.5103 -42.8424 73.4333 TIMING: 343000 CPU: 990.671, 0.00289488/step Wall: 990.671, 0.00289488/step, 3.74485 hours remaining, 207.226562 MB of memory in use. ENERGY: 343000 757.3386 2115.2263 1917.4240 116.3175 -206267.0132 17826.7962 0.0000 0.0000 34167.1742 -149366.7366 298.3904 -183533.9108 -149273.1541 299.7461 20.5953 49.7808 556405.7908 13.7843 13.6125 PRESSURE: 343200 -83.9376 115.117 -93.2221 115.118 2.44658 -20.171 -93.2228 -20.1707 -294.217 GPRESSURE: 343200 -50.7864 119.854 -17.2452 86.184 21.3983 -69.7197 -89.7934 -48.1751 -253.148 PRESSAVG: 343200 13.2687 16.3672 29.2854 16.3672 19.1403 -1.15498 29.2854 -1.155 0.740348 GPRESSAVG: 343200 12.2793 17.5664 29.3254 16.5307 18.7187 -2.07124 29.3006 -2.52804 1.20894 TIMING: 343200 CPU: 991.251, 0.00289718/step Wall: 991.251, 0.00289718/step, 3.74767 hours remaining, 207.226562 MB of memory in use. ENERGY: 343200 725.6529 2115.7912 1949.8441 124.0807 -206220.6158 17707.9798 0.0000 0.0000 34231.5230 -149365.7440 298.9524 -183597.2671 -149264.0667 298.9188 -125.2359 -94.1788 557753.7928 11.0498 10.7357 PRESSURE: 343400 -349.436 2.10729 -25.1038 2.10772 -143.48 31.9619 -25.1037 31.9622 -144.799 GPRESSURE: 343400 -276.17 -29.7295 13.0454 24.0656 -101.47 85.0161 -14.3484 -53.9866 -157.774 PRESSAVG: 343400 -81.2888 5.59834 -11.9777 5.59837 55.6321 -3.01579 -11.9777 -3.01572 -8.25365 GPRESSAVG: 343400 -80.5423 5.70559 -12.3923 5.80656 56.6547 -1.80077 -12.7832 -5.01726 -9.33974 TIMING: 343400 CPU: 991.83, 0.00289564/step Wall: 991.83, 0.00289564/step, 3.74551 hours remaining, 207.226562 MB of memory in use. ENERGY: 343400 755.9106 2099.0228 1947.2448 101.1975 -206085.2602 17567.3870 0.0000 0.0000 34298.6446 -149315.8528 299.5386 -183614.4974 -149221.9104 299.0634 -212.5717 -178.4715 556842.3492 -11.3034 -11.0758 PRESSURE: 343600 8.57435 -151.136 -46.3426 -151.137 -108.108 -70.9546 -46.3425 -70.953 39.4384 GPRESSURE: 343600 70.4532 -188.103 7.09925 -109.021 -105.084 -136.226 18.9606 36.0894 55.0398 PRESSAVG: 343600 15.4241 -46.307 4.13889 -46.307 50.8274 38.9244 4.13893 38.9245 -52.7979 GPRESSAVG: 343600 15.5364 -46.4543 4.14171 -45.4671 50.9613 40.0175 4.89999 39.689 -52.9208 TIMING: 343600 CPU: 992.403, 0.00286434/step Wall: 992.403, 0.00286435/step, 3.70487 hours remaining, 207.226562 MB of memory in use. ENERGY: 343600 778.1872 2084.2694 1951.8326 118.3032 -206054.3847 17809.8826 0.0000 0.0000 33996.9972 -149314.9126 296.9042 -183311.9098 -149218.2139 299.2252 -20.0317 6.8030 557099.7892 4.4845 4.5256 PRESSURE: 343800 123.936 -100.271 193.456 -100.271 -53.0462 168.516 193.457 168.517 -62.4428 GPRESSURE: 343800 79.4538 -110.282 216.144 32.5162 57.6779 165.865 179.909 152.907 -31.8439 PRESSAVG: 343800 -15.9525 26.0038 -40.5837 26.0039 24.6216 34.5483 -40.5837 34.5484 -41.2404 GPRESSAVG: 343800 -16.0415 27.2415 -40.2247 26.2725 24.7323 34.2313 -39.5581 34.2001 -41.266 TIMING: 343800 CPU: 992.981, 0.00289168/step Wall: 992.981, 0.00289168/step, 3.74007 hours remaining, 207.226562 MB of memory in use. ENERGY: 343800 779.8081 2033.7732 1951.2208 116.7509 -206252.2930 17936.0741 0.0000 0.0000 34184.5916 -149250.0742 298.5425 -183434.6659 -149154.3153 299.5852 2.8156 35.0960 556725.6855 -10.8571 -10.8584 PRESSURE: 344000 -9.78931 0.136308 36.3779 0.135837 -168.143 12.5725 36.3775 12.5723 193.007 GPRESSURE: 344000 5.68646 -46.728 168.576 -25.0691 -99.0775 -6.37213 14.4915 41.4144 208.05 PRESSAVG: 344000 -45.1057 47.9052 -12.9012 47.9052 67.0618 0.382023 -12.9012 0.381963 -11.6908 GPRESSAVG: 344000 -45.0818 46.0441 -10.708 48.0711 65.7419 -0.878759 -15.3407 0.0199475 -10.8903 TIMING: 344000 CPU: 993.559, 0.00288782/step Wall: 993.559, 0.00288782/step, 3.73492 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 344000 769.7202 2065.8190 1917.0839 117.2294 -206281.1319 17799.3658 0.0000 0.0000 34350.2320 -149261.6815 299.9891 -183611.9135 -149173.5738 299.4057 5.0249 38.2197 556456.1115 3.4218 3.2566 PRESSURE: 344200 32.1282 -4.71776 -243.193 -4.71727 46.4567 4.73484 -243.193 4.73369 -157.941 GPRESSURE: 344200 65.2827 -26.6162 -237.878 74.892 80.8402 -26.1845 -302.678 35.7893 -132.625 PRESSAVG: 344200 0.807299 -55.478 16.4532 -55.478 -67.0476 -17.0872 16.4532 -17.0871 56.6188 GPRESSAVG: 344200 1.37822 -54.497 13.9422 -54.3663 -67.7117 -16.5845 18.4502 -17.473 56.1334 TIMING: 344200 CPU: 994.132, 0.00286707/step Wall: 994.132, 0.00286707/step, 3.70792 hours remaining, 207.226562 MB of memory in use. ENERGY: 344200 719.3568 2088.9238 1928.1960 116.1971 -206004.9905 17629.3338 0.0000 0.0000 34350.5147 -149172.4685 299.9916 -183522.9831 -149079.1463 299.7651 -26.4522 4.4994 556343.4160 -3.2072 -3.4000 LDB: ============= START OF LOAD BALANCING ============== 997.514 LDB: ============== END OF LOAD BALANCING =============== 997.515 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 997.516 LDB: ============= START OF LOAD BALANCING ============== 997.807 LDB: Largest compute 4822 load 0.025730 is 21.8% of average load 0.117846 LDB: Average compute 0.001729 is 1.5% of average load 0.117846 LDB: TIME 997.809 LOAD: AVG 0.117846 MAX 0.178094 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.695 MB LDB: TIME 997.809 LOAD: AVG 0.117846 MAX 0.178094 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.898 MB LDB: TIME 997.81 LOAD: AVG 0.117846 MAX 0.178094 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.898 MB LDB: ============== END OF LOAD BALANCING =============== 997.811 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 997.816 PRESSURE: 344400 -67.6431 101.588 53.3069 101.589 -19.0703 -64.3816 53.3086 -64.3806 147.488 GPRESSURE: 344400 -31.1009 28.7664 42.3324 121.867 22.0738 -61.5942 -34.3006 -36.1719 161.926 PRESSAVG: 344400 64.0362 -40.0031 -24.6642 -40.0031 -40.1135 2.27672 -24.6642 2.27675 -18.6828 GPRESSAVG: 344400 63.2226 -38.9742 -25.9975 -41.8876 -40.7961 1.94823 -25.4988 2.13873 -17.1797 TIMING: 344400 CPU: 994.72, 0.00293926/step Wall: 994.72, 0.00293926/step, 3.80112 hours remaining, 206.570312 MB of memory in use. ENERGY: 344400 711.7777 2059.6090 1913.4938 118.6327 -206015.5252 17627.3724 0.0000 0.0000 34371.4206 -149213.2189 300.1742 -183584.6395 -149116.2745 299.1450 20.2581 50.9663 555226.8633 1.7467 1.7489 PRESSURE: 344600 -62.1952 43.3494 -130.856 43.3489 12.7151 -5.63084 -130.855 -5.62957 -232.395 GPRESSURE: 344600 1.83554 19.7537 -192.426 23.1735 79.8516 82.229 -59.9484 -108.036 -259.368 PRESSAVG: 344600 -63.0934 30.4035 -13.9902 30.4036 38.2987 30.7358 -13.9902 30.7359 29.0107 GPRESSAVG: 344600 -64.0506 26.7371 -12.3225 32.2524 38.7006 31.8224 -12.7956 30.7779 29.3756 TIMING: 344600 CPU: 995.303, 0.00291338/step Wall: 995.303, 0.00291338/step, 3.76748 hours remaining, 206.570312 MB of memory in use. ENERGY: 344600 764.8033 2082.4906 1931.8062 123.9446 -205863.6602 17460.8996 0.0000 0.0000 34206.3886 -149293.3271 298.7329 -183499.7157 -149194.9202 299.1405 -93.9584 -59.2271 556774.2306 1.4053 1.3419 PRESSURE: 344800 492.79 -240.867 89.6549 -240.868 90.5562 -13.831 89.6558 -13.83 206.872 GPRESSURE: 344800 490.051 -270.239 120.873 -201.323 182.264 -16.5426 -72.0003 55.1011 215.589 PRESSAVG: 344800 64.6856 -44.3742 -30.093 -44.3742 13.8425 22.1467 -30.0929 22.1468 -43.7744 GPRESSAVG: 344800 65.5499 -42.5745 -30.752 -44.2297 14.6129 21.2718 -31.3668 22.9679 -44.8014 TIMING: 344800 CPU: 995.877, 0.00287432/step Wall: 995.877, 0.00287432/step, 3.71682 hours remaining, 206.570312 MB of memory in use. ENERGY: 344800 726.9581 2129.5232 1987.4717 119.4780 -206737.2879 18245.8952 0.0000 0.0000 34149.9087 -149378.0530 298.2396 -183527.9617 -149287.5964 299.0897 263.4060 295.9681 553774.1853 11.5846 11.7871 PRESSURE: 345000 268.115 81.5908 -65.9948 81.5904 112.984 36.5478 -65.996 36.5478 19.3908 GPRESSURE: 345000 319.32 70.8258 -32.1731 41.6656 123.778 12.469 -41.6843 71.6723 46.1574 PRESSAVG: 345000 39.3869 -6.52786 30.4326 -6.52793 7.73023 -31.8637 30.4325 -31.8636 -39.1434 GPRESSAVG: 345000 38.9838 -5.48105 31.443 -8.62812 7.19357 -30.8482 31.5226 -33.4627 -37.8545 TIMING: 345000 CPU: 996.453, 0.00287822/step Wall: 996.453, 0.00287822/step, 3.7217 hours remaining, 206.769531 MB of memory in use. ENERGY: 345000 706.5897 2116.5947 1946.3442 120.4192 -206458.9099 17923.1752 0.0000 0.0000 34377.5643 -149268.2224 300.2278 -183645.7867 -149172.8489 299.8272 133.4966 163.0850 554777.3764 2.6579 2.7743 PRESSURE: 345200 -318.363 175.624 -143.434 175.625 66.9669 -98.6831 -143.435 -98.6827 -24.1484 GPRESSURE: 345200 -244.454 122.435 -149.023 173.447 128.467 -49.4836 -99.1055 -109.082 -46.6297 PRESSAVG: 345200 67.236 5.2626 49.6269 5.26256 -3.3936 -29.8582 49.6269 -29.8582 -12.6083 GPRESSAVG: 345200 67.7337 4.61398 48.7691 6.81897 -2.80979 -30.1558 50.9455 -29.3586 -13.7694 TIMING: 345200 CPU: 997.028, 0.00287598/step Wall: 997.028, 0.00287598/step, 3.71865 hours remaining, 206.769531 MB of memory in use. ENERGY: 345200 733.8660 2117.3103 1949.8750 117.4753 -206180.7333 17667.0336 0.0000 0.0000 34385.9707 -149209.2023 300.3012 -183595.1730 -149110.8193 300.0345 -91.8480 -54.2056 557271.4557 17.0780 17.0515 PRESSURE: 345400 148.397 -57.8865 62.0941 -57.8867 -112.554 109.328 62.0941 109.327 130.471 GPRESSURE: 345400 183.698 -47.4277 105.106 -84.1094 -62.6335 106.349 37.9867 124.661 125.882 PRESSAVG: 345400 -35.4612 76.9311 36.2036 76.9312 11.0181 -23.0363 36.2035 -23.0363 46.7064 GPRESSAVG: 345400 -35.2049 77.2676 35.8043 75.6334 11.8677 -22.1155 36.1216 -22.6475 45.4719 TIMING: 345400 CPU: 997.607, 0.00289248/step Wall: 997.607, 0.00289248/step, 3.73982 hours remaining, 206.769531 MB of memory in use. ENERGY: 345400 751.2885 2104.2406 1934.4900 119.7511 -206335.2103 17793.1974 0.0000 0.0000 34462.2629 -149169.9798 300.9675 -183632.2427 -149072.8907 299.3425 55.4383 82.3156 555688.0961 7.4211 7.3782 PRESSURE: 345600 -182.596 46.856 103.762 46.8553 -123.354 -60.8451 103.763 -60.845 311.644 GPRESSURE: 345600 -97.1326 112.062 80.7662 39.2966 -84.3538 -31.2725 133.787 -32.0157 298.309 PRESSAVG: 345600 -41.0169 -64.0267 19.367 -64.0267 -39.4113 -18.6316 19.367 -18.6316 46.5578 GPRESSAVG: 345600 -40.1939 -64.2839 21.9339 -63.627 -40.906 -20.5737 15.5143 -18.7172 47.5834 TIMING: 345600 CPU: 998.185, 0.0028895/step Wall: 998.185, 0.0028895/step, 3.7358 hours remaining, 206.769531 MB of memory in use. ENERGY: 345600 742.5021 2115.4148 1945.3602 113.9155 -206192.0137 17805.1058 0.0000 0.0000 34386.8367 -149082.8786 300.3088 -183469.7153 -148983.9892 299.7422 1.8982 38.9410 556713.1150 -11.2901 -11.1722 PRESSURE: 345800 -194.038 -38.1854 5.49032 -38.1842 -191.927 -37.1502 5.49105 -37.1497 42.9176 GPRESSURE: 345800 -136.382 64.2342 -83.0725 -38.8316 -122.856 -53.4781 117.976 38.4879 26.9034 PRESSAVG: 345800 -54.8153 1.48686 5.44787 1.48688 46.0516 -26.3951 5.44783 -26.3951 29.4626 GPRESSAVG: 345800 -56.3462 1.43473 2.70154 2.28796 47.4948 -25.5538 7.32877 -27.1035 29.6405 TIMING: 345800 CPU: 998.758, 0.00286399/step Wall: 998.758, 0.00286399/step, 3.70267 hours remaining, 206.769531 MB of memory in use. ENERGY: 345800 774.6890 2081.9534 1943.5282 123.0442 -205973.3708 17687.0201 0.0000 0.0000 34208.3574 -149154.7784 298.7501 -183363.1358 -149062.7345 300.3270 -114.3492 -77.4450 556148.7512 6.8997 6.9297 PRESSURE: 346000 -141.469 -133.819 89.3428 -133.818 -8.31405 114.888 89.3429 114.888 -105.606 GPRESSURE: 346000 -118.018 -36.6265 66.5821 -147.968 23.8668 137.816 126.211 158.531 -57.8748 PRESSAVG: 346000 -68.6959 -14.6482 43.6486 -14.6482 49.7612 23.3922 43.6486 23.3922 29.3533 GPRESSAVG: 346000 -68.2555 -15.1974 44.9719 -16.0065 49.5959 25.5555 43.4937 21.7338 28.7111 TIMING: 346000 CPU: 999.333, 0.00287861/step Wall: 999.333, 0.00287861/step, 3.72141 hours remaining, 206.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 346000 812.0964 2079.8761 1925.1268 125.4548 -206414.7634 17966.7836 0.0000 0.0000 34388.3071 -149117.1187 300.3216 -183505.4258 -149015.3133 299.4935 -85.1297 -50.6754 556894.4713 3.4729 3.3505 PRESSURE: 346200 88.0708 -35.4663 120.902 -35.467 -179.694 44.4349 120.901 44.4359 74.9643 GPRESSURE: 346200 163.76 -48.1215 157.846 13.9688 -135.342 59.2781 75.948 94.0897 43.8254 PRESSAVG: 346200 -50.0503 -62.7077 -56.7006 -62.7077 7.36602 17.4374 -56.7005 17.4375 40.6836 GPRESSAVG: 346200 -50.2594 -62.7799 -57.0339 -61.6238 6.66634 14.4409 -55.0724 19.985 41.6489 TIMING: 346200 CPU: 999.913, 0.00289962/step Wall: 999.913, 0.00289962/step, 3.74841 hours remaining, 206.769531 MB of memory in use. ENERGY: 346200 760.8516 2083.7101 1933.2536 112.6337 -206316.5140 17868.9975 0.0000 0.0000 34484.5569 -149072.5107 301.1622 -183557.0676 -148979.1525 299.9988 -5.5529 24.0809 557513.4060 -0.6669 -0.6480 PRESSURE: 346400 -52.5257 -57.304 99.3448 -57.3034 36.8169 -24.1017 99.3451 -24.1008 -272.545 GPRESSURE: 346400 -12.5167 -74.5599 -27.044 1.17004 19.3116 -54.6286 207.076 -18.6284 -202.074 PRESSAVG: 346400 4.66795 -22.6077 32.7893 -22.6077 -53.4182 -1.05779 32.7893 -1.0578 -1.79655 GPRESSAVG: 346400 5.71224 -21.9434 33.6332 -25.0717 -54.2125 0.168078 31.8347 -2.06378 -2.28569 TIMING: 346400 CPU: 1000.5, 0.00290985/step Wall: 1000.5, 0.00290985/step, 3.76146 hours remaining, 206.769531 MB of memory in use. ENERGY: 346400 752.8717 2102.3087 1909.5870 101.3757 -205958.6931 17663.5940 0.0000 0.0000 34342.7197 -149086.2364 299.9235 -183428.9560 -148995.2131 299.5749 -96.0847 -65.0932 557873.7630 -16.8489 -16.9286 PRESSURE: 346600 -62.9904 122.071 103.315 122.071 -115.167 -94.7151 103.316 -94.7173 -374.277 GPRESSURE: 346600 -128.175 74.8668 16.3794 129.676 -1.61335 -113.442 106.747 -49.3692 -307.217 PRESSAVG: 346600 12.3187 8.2275 16.7771 8.22757 33.8783 -5.60397 16.777 -5.60415 -58.9048 GPRESSAVG: 346600 12.1685 8.16788 15.0603 12.0379 34.847 -7.52073 17.1235 -4.59787 -59.3256 TIMING: 346600 CPU: 1001.08, 0.00290596/step Wall: 1001.08, 0.00290596/step, 3.75627 hours remaining, 206.769531 MB of memory in use. ENERGY: 346600 743.2742 2070.8712 1914.5924 117.0320 -205797.8410 17529.5016 0.0000 0.0000 34393.6931 -149028.8765 300.3687 -183422.5696 -148930.3416 299.4060 -184.1447 -145.6683 557965.2403 -4.2359 -4.1034 PRESSURE: 346800 59.6418 -11.7112 -77.9921 -11.7099 -74.5066 50.0164 -77.9906 50.0147 -115.918 GPRESSURE: 346800 99.052 5.8292 -146.695 -38.5671 -99.2269 51.8678 -33.2719 102.497 -23.8331 PRESSAVG: 346800 50.6178 -7.27008 61.5781 -7.27 -6.40514 28.2554 61.5781 28.2553 13.5053 GPRESSAVG: 346800 50.2809 -6.34882 60.4743 -10.26 -7.53146 29.5313 62.6233 28.6323 15.0794 TIMING: 346800 CPU: 1001.66, 0.0028996/step Wall: 1001.66, 0.0028996/step, 3.7479 hours remaining, 206.769531 MB of memory in use. ENERGY: 346800 756.5289 2049.3335 1949.8235 106.1738 -205922.7222 17720.6654 0.0000 0.0000 34268.8690 -149071.3281 299.2786 -183340.1971 -148971.3047 299.5876 -43.5942 -8.0027 554731.5185 19.2393 19.2763 PRESSURE: 347000 -23.2337 -153.401 16.1046 -153.402 -301.746 264.64 16.1056 264.639 86.2162 GPRESSURE: 347000 -41.6091 -72.9509 34.4812 -168.042 -225.013 282.732 26.68 217.107 119.272 PRESSAVG: 347000 12.1721 27.5546 11.2334 27.5546 -39.6818 25.9607 11.2335 25.9608 36.0597 GPRESSAVG: 347000 11.327 26.927 12.4163 27.9415 -37.8736 26.4283 12.0545 23.5296 34.6653 TIMING: 347000 CPU: 1002.24, 0.00289545/step Wall: 1002.24, 0.00289545/step, 3.74236 hours remaining, 206.769531 MB of memory in use. ENERGY: 347000 728.9169 2086.7990 1956.0027 125.1727 -205750.8960 17538.1016 0.0000 0.0000 34294.8210 -149021.0821 299.5052 -183315.9031 -148929.4977 299.3372 -79.5878 -49.1165 555709.7090 2.8500 2.7062 PRESSURE: 347200 89.9874 -203.211 -4.6441 -203.211 158.791 37.9354 -4.64397 37.9354 165.788 GPRESSURE: 347200 137.951 -188.883 -5.74934 -137.807 219.529 23.2127 42.225 57.1066 161.526 PRESSAVG: 347200 -14.826 -1.42514 19.3592 -1.42508 -28.6443 51.8637 19.3593 51.8636 50.0245 GPRESSAVG: 347200 -13.4994 -0.871864 19.0194 -1.08144 -30.2024 49.9232 16.9629 53.9732 49.8342 TIMING: 347200 CPU: 1002.81, 0.00289336/step Wall: 1002.81, 0.00289336/step, 3.73951 hours remaining, 206.769531 MB of memory in use. ENERGY: 347200 758.1355 2090.6437 1944.6252 113.0456 -206152.7120 17929.1504 0.0000 0.0000 34048.4259 -149268.6858 297.3534 -183317.1117 -149167.3516 299.2736 138.1887 173.0019 556957.0345 2.1848 2.0441 PRESSURE: 347400 94.8413 -150.112 69.9767 -150.112 299.422 128.469 69.9754 128.469 -144.848 GPRESSURE: 347400 133.094 -152.488 42.0287 -187.53 360.233 114.123 2.93277 138.814 -135.899 PRESSAVG: 347400 -6.191 -9.89291 -2.79292 -9.89294 59.2131 7.16372 -2.79301 7.16367 -21.8309 GPRESSAVG: 347400 -6.18602 -11.6548 -2.45295 -10.5969 59.2557 8.40979 -3.32132 5.02898 -21.7656 TIMING: 347400 CPU: 1003.39, 0.00288766/step Wall: 1003.39, 0.00288766/step, 3.73197 hours remaining, 206.769531 MB of memory in use. ENERGY: 347400 728.4305 2126.8645 1926.4245 108.8613 -206256.4905 17953.7544 0.0000 0.0000 34215.5678 -149196.5874 298.8131 -183412.1553 -149103.7974 298.4955 83.1384 119.1427 557908.4030 10.3971 10.4347 PRESSURE: 347600 -108.999 68.4589 56.6518 68.4586 89.4128 -257.122 56.6526 -257.123 -137.627 GPRESSURE: 347600 -75.4247 39.6647 76.3051 133.148 94.757 -261.696 -10.9669 -231.905 -77.9307 PRESSAVG: 347600 28.7166 -12.1005 4.29268 -12.1006 31.7584 14.8388 4.2927 14.8389 -73.4177 GPRESSAVG: 347600 26.9692 -11.492 4.55376 -12.1124 32.1083 15.5064 2.29478 16.2122 -72.4723 TIMING: 347600 CPU: 1003.97, 0.00289606/step Wall: 1003.97, 0.00289606/step, 3.74268 hours remaining, 206.769531 MB of memory in use. ENERGY: 347600 785.3240 2098.6417 1954.3736 118.8249 -206183.0117 17778.1246 0.0000 0.0000 34392.3568 -149055.3662 300.3570 -183447.7230 -148955.7858 299.8424 -52.4044 -19.5328 558061.9722 -4.3143 -4.4650 PRESSURE: 347800 68.6425 88.2091 -14.2866 88.2086 -23.7458 46.2747 -14.2853 46.2752 121.201 GPRESSURE: 347800 35.2848 98.5555 42.2125 58.636 37.1566 -68.9909 1.0792 118.661 181.531 PRESSAVG: 347800 -20.1028 -18.5074 16.1616 -18.5075 34.5081 15.8704 16.1616 15.8704 -0.872043 GPRESSAVG: 347800 -20.9798 -18.8283 16.7982 -18.4513 35.9631 16.0559 18.165 15.598 -1.48384 TIMING: 347800 CPU: 1004.55, 0.00290297/step Wall: 1004.55, 0.00290297/step, 3.75145 hours remaining, 206.769531 MB of memory in use. ENERGY: 347800 730.0081 2066.3873 1971.5021 102.7321 -205911.1540 17627.0357 0.0000 0.0000 34401.0947 -149012.3939 300.4333 -183413.4886 -148912.0004 299.9406 55.3660 84.6574 556825.8171 4.5111 4.4998 PRESSURE: 348000 -146.991 137.83 -205.012 137.829 134.482 127.508 -205.012 127.506 11.0676 GPRESSURE: 348000 -78.0485 125.114 -162.242 143.759 90.5214 152.16 -204.941 104.539 75.5842 PRESSAVG: 348000 -47.7195 -3.05272 5.7795 -3.05273 22.2078 33.7231 5.77946 33.7231 2.69851 GPRESSAVG: 348000 -46.9038 -4.3649 6.0736 -1.80375 21.3771 32.5726 6.9957 35.9449 2.99719 TIMING: 348000 CPU: 1005.13, 0.00289296/step Wall: 1005.13, 0.00289296/step, 3.73835 hours remaining, 206.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 348000 749.8689 2070.5532 1935.4972 109.9423 -205816.1982 17666.6721 0.0000 0.0000 34190.6276 -149093.0370 298.5953 -183283.6646 -148994.5403 299.8461 -0.4804 29.3524 557154.3808 -7.6044 -7.5098 PRESSURE: 348200 -120.179 -232.698 -5.87176 -232.697 -326.144 -76.647 -5.87021 -76.647 -90.7968 GPRESSURE: 348200 -96.3956 -184.574 -37.3476 -206.824 -273.93 -89.5064 22.5891 -87.8819 -57.3786 PRESSAVG: 348200 4.09022 -23.1008 35.7453 -23.1009 29.2712 -17.8774 35.7454 -17.8775 -10.8573 GPRESSAVG: 348200 3.95412 -22.4153 34.9519 -23.886 29.5617 -16.6008 34.0365 -17.9766 -10.3971 TIMING: 348200 CPU: 1005.7, 0.00287352/step Wall: 1005.7, 0.00287352/step, 3.71306 hours remaining, 206.769531 MB of memory in use. ENERGY: 348200 775.1113 2068.6997 1946.8548 107.4858 -205689.5647 17464.6481 0.0000 0.0000 34362.4267 -148964.3383 300.0956 -183326.7650 -148865.7830 300.5233 -179.0399 -142.5680 558241.7606 7.5014 7.7063 LDB: ============= START OF LOAD BALANCING ============== 1009.09 LDB: ============== END OF LOAD BALANCING =============== 1009.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1009.09 LDB: ============= START OF LOAD BALANCING ============== 1009.38 LDB: Largest compute 4822 load 0.025728 is 21.8% of average load 0.117846 LDB: Average compute 0.001725 is 1.5% of average load 0.117846 LDB: TIME 1009.38 LOAD: AVG 0.117846 MAX 0.178731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 1009.38 LOAD: AVG 0.117846 MAX 0.178731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: TIME 1009.38 LOAD: AVG 0.117846 MAX 0.178731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: ============== END OF LOAD BALANCING =============== 1009.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1009.38 PRESSURE: 348400 -216.218 43.736 109.775 43.7352 -24.7092 -93.0715 109.774 -93.0733 -27.398 GPRESSURE: 348400 -160.464 55.5604 129.325 -22.6379 23.1622 -98.0439 124.745 -12.9729 -36.6043 PRESSAVG: 348400 8.13552 -8.66143 39.9096 -8.66139 15.7602 7.32403 39.9097 7.32399 -30.9524 GPRESSAVG: 348400 8.77082 -6.60276 39.0429 -11.3157 15.5356 8.13291 40.7974 6.7658 -31.348 TIMING: 348400 CPU: 1006.29, 0.00292194/step Wall: 1006.29, 0.00292194/step, 3.77548 hours remaining, 206.832031 MB of memory in use. ENERGY: 348400 789.8714 2083.4731 1962.2881 131.9522 -205917.0645 17625.4189 0.0000 0.0000 34278.5648 -149045.4959 299.3632 -183324.0608 -148954.2440 299.5856 -89.4418 -57.9688 558440.5207 -2.3522 -2.3472 PRESSURE: 348600 5.49061 -124.576 -0.983785 -124.577 -171.914 -31.6816 -0.985241 -31.682 -25.5074 GPRESSURE: 348600 61.9203 -186.709 -8.09695 -158.78 -121.929 -75.8498 -21.0582 -42.2872 -38.265 PRESSAVG: 348600 61.2085 -8.88111 48.931 -8.88104 -30.775 -45.9009 48.9309 -45.9009 -38.7196 GPRESSAVG: 348600 61.7137 -9.54656 48.8885 -7.45912 -29.9123 -47.1518 48.8606 -45.9047 -40.4831 TIMING: 348600 CPU: 1006.87, 0.00289249/step Wall: 1006.87, 0.00289249/step, 3.73725 hours remaining, 207.035156 MB of memory in use. ENERGY: 348600 756.2935 2136.6289 1994.8404 109.3555 -206278.7411 17839.9326 0.0000 0.0000 34395.5728 -149046.1173 300.3851 -183441.6902 -148952.5348 299.4069 -63.9771 -32.7578 559650.0756 -2.7621 -2.8939 PRESSURE: 348800 -48.6303 -26.8794 40.9107 -26.8807 -42.007 58.248 40.9104 58.2475 -345.151 GPRESSURE: 348800 4.09909 -105.833 4.50185 -17.1417 -18.6532 24.9809 98.3127 165.51 -318.502 PRESSAVG: 348800 31.9982 -5.17155 24.5884 -5.17162 17.6515 41.857 24.5886 41.8569 -23.1915 GPRESSAVG: 348800 31.4442 -6.00264 25.14 -3.82618 17.4595 44.5259 24.4829 42.3403 -22.3336 TIMING: 348800 CPU: 1007.45, 0.00290294/step Wall: 1007.45, 0.00290294/step, 3.7506 hours remaining, 207.035156 MB of memory in use. ENERGY: 348800 754.5271 2130.9509 1927.3622 127.1867 -205754.5620 17624.2287 0.0000 0.0000 34296.0440 -148894.2624 299.5159 -183190.3064 -148809.5934 300.4788 -145.2628 -111.0188 562110.6140 8.8194 8.8567 PRESSURE: 349000 79.4728 23.3847 56.8449 23.3857 159.845 162.715 56.8451 162.715 -138.111 GPRESSURE: 349000 112.701 -41.6512 46.0699 110.878 185.711 160.604 156.068 128.454 -109.281 PRESSAVG: 349000 56.5736 10.5953 69.8728 10.5953 29.407 6.53938 69.8728 6.53939 -67.2516 GPRESSAVG: 349000 57.915 12.6251 68.7907 10.9245 28.0695 4.94976 69.7316 5.39511 -66.6072 TIMING: 349000 CPU: 1008.04, 0.00296183/step Wall: 1008.04, 0.00296183/step, 3.82651 hours remaining, 207.035156 MB of memory in use. ENERGY: 349000 801.1957 2100.5124 1954.6962 114.8257 -206040.6308 17961.0587 0.0000 0.0000 34363.4717 -148744.8703 300.1047 -183108.3420 -148656.2596 300.5644 33.7354 63.0436 561016.9000 6.2430 6.4591 PRESSURE: 349200 46.2429 137.15 -0.769347 137.151 -155.614 -26.8294 -0.768974 -26.8302 320.191 GPRESSURE: 349200 87.2557 93.1924 -65.7085 137.904 -117.319 -16.3902 45.1973 -24.6211 338.528 PRESSAVG: 349200 -15.1169 -2.51841 9.21342 -2.51838 -13.554 58.2366 9.21348 58.2367 37.2869 GPRESSAVG: 349200 -16.2046 -2.24851 7.67993 -4.62481 -12.1529 57.0642 8.88854 59.5058 36.8386 TIMING: 349200 CPU: 1008.62, 0.00290447/step Wall: 1008.62, 0.00290447/step, 3.75225 hours remaining, 207.035156 MB of memory in use. ENERGY: 349200 749.5384 2076.7150 1973.1156 100.7248 -205983.4850 17843.0311 0.0000 0.0000 34490.8417 -148749.5184 301.2171 -183240.3601 -148650.8636 301.3478 70.2733 102.8215 557677.5310 2.8720 2.8270 PRESSURE: 349400 127.483 -185.432 -36.7005 -185.431 -317.696 -222.681 -36.7003 -222.682 101.722 GPRESSURE: 349400 170.454 -180.734 69.3418 -213.272 -241.726 -186.974 -141.165 -178.807 83.3443 PRESSAVG: 349400 -15.9837 -56.2172 -11.5975 -56.217 -17.8935 13.0408 -11.5975 13.0409 12.2698 GPRESSAVG: 349400 -15.8112 -58.0792 -8.38918 -52.3002 -18.1555 14.5156 -11.31 10.8871 12.7142 TIMING: 349400 CPU: 1009.2, 0.00287453/step Wall: 1009.2, 0.00287453/step, 3.71341 hours remaining, 207.035156 MB of memory in use. ENERGY: 349400 726.2692 2136.5975 1950.8726 127.2988 -205659.7335 17441.3369 0.0000 0.0000 34581.7709 -148695.5876 302.0112 -183277.3585 -148594.9775 301.1352 -29.4972 4.0240 557602.7557 -7.2025 -7.0842 PRESSURE: 349600 -24.6386 -36.7594 30.3273 -36.7592 77.0475 143.629 30.3272 143.629 45.9609 GPRESSURE: 349600 33.4037 -40.5945 -19.3742 39.1843 103.467 153.894 73.5401 99.3114 70.7576 PRESSAVG: 349600 34.4241 -2.40145 23.1662 -2.40148 -2.0651 12.9938 23.1661 12.9938 6.60768 GPRESSAVG: 349600 33.9729 -1.13763 22.1029 -4.78231 -1.63029 9.17693 24.1119 16.667 7.33285 TIMING: 349600 CPU: 1009.77, 0.00288846/step Wall: 1009.77, 0.00288846/step, 3.73125 hours remaining, 207.035156 MB of memory in use. ENERGY: 349600 719.6672 2139.7189 1940.2646 109.9972 -206031.1929 17714.7793 0.0000 0.0000 34597.0025 -148809.7632 302.1442 -183406.7657 -148713.3700 301.4439 32.7899 69.2093 555865.0933 12.9889 13.2252 PRESSURE: 349800 184.416 -96.3586 -38.3101 -96.358 -43.2251 -108.94 -38.3096 -108.94 123.602 GPRESSURE: 349800 231.88 6.24357 -38.5906 -153.062 -18.2788 -142.018 -56.9293 -159.31 145.076 PRESSAVG: 349800 43.9562 8.80874 18.0788 8.80868 5.93819 8.55714 18.0788 8.55699 -61.5987 GPRESSAVG: 349800 44.2245 7.61118 19.2055 7.79048 5.69522 12.9661 16.5718 3.89657 -61.6461 TIMING: 349800 CPU: 1010.35, 0.002896/step Wall: 1010.35, 0.002896/step, 3.74082 hours remaining, 207.035156 MB of memory in use. ENERGY: 349800 761.4747 2032.2041 1936.4224 100.4675 -206080.3082 17972.9134 0.0000 0.0000 34360.9434 -148915.8827 300.0827 -183276.8261 -148822.3937 300.5523 88.2644 119.5591 557343.8176 -3.9014 -3.9088 PRESSURE: 350000 37.9728 -18.0214 -30.1462 -18.0201 -127.513 -62.8738 -30.1457 -62.8736 38.4344 GPRESSURE: 350000 78.8785 14.2958 -64.2967 7.10937 -49.6273 -84.3398 -69.7513 16.1658 26.5836 PRESSAVG: 350000 13.9876 -10.1822 21.6938 -10.1822 43.1992 -3.87593 21.6939 -3.8759 -36.469 GPRESSAVG: 350000 13.521 -9.1247 20.868 -7.46292 43.1329 -7.15738 23.0665 -0.453518 -35.8739 TIMING: 350000 CPU: 1010.93, 0.00288505/step Wall: 1010.93, 0.00288505/step, 3.72652 hours remaining, 207.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 350000 745.4620 2074.2711 1963.3634 125.7069 -205922.0846 17770.5669 0.0000 0.0000 34180.0763 -149062.6380 298.5031 -183242.7142 -148970.4145 300.2690 -17.0352 18.6116 557136.2811 6.9059 6.9267 PRESSURE: 350200 -19.3874 -80.3562 -83.8346 -80.3552 141.744 27.2368 -83.8353 27.236 114.67 GPRESSURE: 350200 29.8096 -38.0345 -63.7429 -114.354 149.851 33.2867 -48.9977 -78.3103 157.815 PRESSAVG: 350200 11.8158 -0.751518 19.1273 -0.751512 40.5325 5.30162 19.1273 5.30169 -11.8321 GPRESSAVG: 350200 12.3693 -1.25907 19.5692 -3.23657 40.4887 4.48953 17.2317 5.33452 -12.2738 TIMING: 350200 CPU: 1011.51, 0.00289437/step Wall: 1011.51, 0.00289437/step, 3.7384 hours remaining, 207.199219 MB of memory in use. ENERGY: 350200 727.9269 2100.5835 1960.6199 116.0452 -206201.7209 17770.0244 0.0000 0.0000 34464.4368 -149062.0843 300.9865 -183526.5211 -148963.4708 299.6164 79.0091 112.4918 557349.8053 13.5054 13.5281 PRESSURE: 350400 127.765 -88.3284 30.1566 -88.3279 138.033 -50.0931 30.1559 -50.0934 80.1989 GPRESSURE: 350400 160.959 -3.202 65.0091 -154.955 148.672 -67.0783 -3.1994 -5.68709 135.238 PRESSAVG: 350400 -42.4742 -29.433 -11.0615 -29.4331 -0.973467 -0.735543 -11.0616 -0.73563 38.3509 GPRESSAVG: 350400 -43.0821 -29.0791 -10.1713 -27.0157 -1.75978 1.36049 -11.9052 -1.79105 38.9229 TIMING: 350400 CPU: 1012.09, 0.00288772/step Wall: 1012.09, 0.00288772/step, 3.72965 hours remaining, 207.199219 MB of memory in use. ENERGY: 350400 751.9181 2146.7820 1944.5787 121.4729 -206281.6473 17941.9654 0.0000 0.0000 34415.0016 -148959.9287 300.5548 -183374.9302 -148863.7572 299.9113 115.3325 148.2897 556698.9951 -1.6989 -1.9730 PRESSURE: 350600 49.9682 76.2745 -63.602 76.2748 -182.916 -1.12481 -63.602 -1.12467 332.202 GPRESSURE: 350600 80.9257 72.3716 -16.138 79.0987 -140.065 -62.3727 -39.0926 108.158 355.245 PRESSAVG: 350600 49.6272 15.7675 -13.0158 15.7675 -85.3754 22.4653 -13.0158 22.4653 31.603 GPRESSAVG: 350600 50.4154 15.5343 -15.8047 13.6624 -84.9446 22.1392 -11.819 23.2416 30.6604 TIMING: 350600 CPU: 1012.67, 0.00291848/step Wall: 1012.67, 0.00291848/step, 3.76922 hours remaining, 207.199219 MB of memory in use. ENERGY: 350600 734.1932 2111.7762 1948.2489 106.4738 -205629.6877 17790.7360 0.0000 0.0000 34032.1325 -148906.1270 297.2111 -182938.2595 -148811.6495 299.5840 66.4182 98.7018 556554.7648 -1.3817 -1.2896 PRESSURE: 350800 -73.0071 -135.751 -60.0847 -135.752 -25.7535 28.4229 -60.0845 28.4216 233.43 GPRESSURE: 350800 -82.4421 -28.6407 -74.4477 -134.16 30.5623 -30.4644 -55.8096 -43.9359 282.39 PRESSAVG: 350800 16.0364 -4.22556 -21.2948 -4.22541 27.8616 18.9968 -21.2947 18.9968 15.1166 GPRESSAVG: 350800 14.7534 -2.59586 -18.5681 -5.0405 28.5451 19.6808 -22.2543 17.1551 15.9137 TIMING: 350800 CPU: 1013.25, 0.00289568/step Wall: 1013.25, 0.00289568/step, 3.73961 hours remaining, 207.199219 MB of memory in use. ENERGY: 350800 758.1985 2108.8760 1932.7622 118.2375 -206016.6005 17778.4177 0.0000 0.0000 34472.8202 -148847.2884 301.0597 -183320.1086 -148751.7461 299.8645 44.8899 76.8367 557310.5795 19.6715 19.7374 PRESSURE: 351000 -214.931 92.361 -222.205 92.3616 -193.763 -53.1965 -222.205 -53.1959 -262.033 GPRESSURE: 351000 -165.497 82.2629 -164.883 61.5208 -189.873 -30.0429 -176.952 -75.7801 -204.854 PRESSAVG: 351000 7.67843 30.859 19.4498 30.8589 27.4347 12.238 19.4499 12.2379 -20.5432 GPRESSAVG: 351000 8.86786 30.073 19.0714 32.8252 27.8942 13.1119 20.1231 13.1608 -21.8919 TIMING: 351000 CPU: 1013.82, 0.00287778/step Wall: 1013.82, 0.00287778/step, 3.71634 hours remaining, 207.199219 MB of memory in use. ENERGY: 351000 773.1997 2099.7199 1964.6918 118.3380 -205702.5542 17516.6313 0.0000 0.0000 34271.4877 -148958.4857 299.3014 -183229.9734 -148850.9981 299.8161 -223.5754 -186.7413 558567.5103 4.8566 4.9567 PRESSURE: 351200 33.1703 115.072 -18.9032 115.072 -30.4202 45.3336 -18.9042 45.3316 -35.4495 GPRESSURE: 351200 62.4695 96.4206 -65.7746 -0.796013 6.2811 -7.39736 -15.0944 55.5322 -5.51926 PRESSAVG: 351200 7.82592 47.2094 -15.1569 47.2094 12.4879 52.2016 -15.1569 52.2015 -30.0026 GPRESSAVG: 351200 7.67874 45.7349 -15.5893 46.1276 11.9348 49.7086 -15.6794 53.7261 -29.6171 TIMING: 351200 CPU: 1014.4, 0.00288536/step Wall: 1014.4, 0.00288536/step, 3.72596 hours remaining, 207.199219 MB of memory in use. ENERGY: 351200 750.3786 1986.2278 1954.7021 120.0425 -205845.2360 17697.6520 0.0000 0.0000 34431.0053 -148905.2277 300.6945 -183336.2331 -148810.6506 299.8232 -10.8998 21.0771 558605.5611 -3.2296 -3.3345 PRESSURE: 351400 -113.874 23.637 -38.6623 23.6375 -104.775 -6.65198 -38.6639 -6.65128 -191.261 GPRESSURE: 351400 -48.8008 -15.2148 -17.4744 35.1899 -91.9145 19.4159 -53.9154 -128.319 -170.42 PRESSAVG: 351400 18.033 24.7298 -79.5604 24.7298 -16.7263 -24.0332 -79.5604 -24.0331 -35.8185 GPRESSAVG: 351400 18.312 25.6583 -79.3575 24.7341 -15.8594 -23.2723 -78.5689 -25.4577 -37.0215 TIMING: 351400 CPU: 1014.98, 0.00288039/step Wall: 1014.98, 0.00288039/step, 3.71938 hours remaining, 207.199219 MB of memory in use. ENERGY: 351400 751.6377 2073.1029 1961.0248 117.5895 -205893.0911 17687.0777 0.0000 0.0000 34209.3456 -149093.3128 298.7587 -183302.6584 -148995.9060 299.2653 -136.6366 -103.7116 558072.9174 -11.5039 -11.5230 PRESSURE: 351600 -144.935 -47.7684 -33.3254 -47.7691 43.8833 110.676 -33.3262 110.676 -103.05 GPRESSURE: 351600 -90.9025 -100.478 37.6386 28.0595 73.6708 111.99 -136.264 46.7042 -92.5864 PRESSAVG: 351600 -15.9756 -0.0976526 -7.1743 -0.0976303 10.3961 3.21788 -7.17434 3.21794 -6.72681 GPRESSAVG: 351600 -16.2044 -2.42745 -5.13011 1.3392 8.50184 3.05243 -7.92652 1.55076 -4.50992 TIMING: 351600 CPU: 1015.55, 0.00287014/step Wall: 1015.55, 0.00287014/step, 3.70599 hours remaining, 207.199219 MB of memory in use. ENERGY: 351600 757.6816 2087.6796 1931.9068 107.8662 -205890.0616 17913.4913 0.0000 0.0000 33917.0478 -149174.3883 296.2060 -183091.4361 -149081.0515 299.3417 -68.0339 -36.6060 558219.7545 -4.1021 -4.0708 PRESSURE: 351800 -137.783 -84.5137 14.2414 -84.5147 23.0693 -105.952 14.2417 -105.952 -130.881 GPRESSURE: 351800 -149.954 -10.6225 40.8685 -123.583 88.6846 9.61606 -14.8167 -177.514 -92.3011 PRESSAVG: 351800 32.4627 -35.5433 -21.21 -35.5433 -1.04389 -3.19267 -21.2099 -3.19267 -12.7544 GPRESSAVG: 351800 31.3383 -35.7727 -23.0807 -36.3856 0.960451 -2.09997 -20.4593 -0.403026 -13.7148 TIMING: 351800 CPU: 1016.13, 0.00287379/step Wall: 1016.13, 0.00287378/step, 3.71054 hours remaining, 207.199219 MB of memory in use. ENERGY: 351800 717.3209 2049.9678 1950.6921 106.7912 -206020.5725 17641.0847 0.0000 0.0000 34200.7593 -149353.9565 298.6837 -183554.7158 -149247.9387 298.5217 -81.8650 -51.1903 557606.2581 6.2215 6.1947 PRESSURE: 352000 196.38 -18.7292 -50.5203 -18.7292 56.205 -109.842 -50.5212 -109.844 150.162 GPRESSURE: 352000 205.03 -16.9201 -77.8042 -83.8009 80.752 -154.227 -107.197 -3.3511 215.99 PRESSAVG: 352000 34.5781 33.844 -11.538 33.844 -0.848758 -22.8692 -11.5378 -22.8692 -16.5503 GPRESSAVG: 352000 34.5793 36.5142 -12.9067 32.8671 -1.19159 -23.4563 -11.1549 -22.7794 -15.8764 TIMING: 352000 CPU: 1016.71, 0.00290539/step Wall: 1016.71, 0.00290539/step, 3.75118 hours remaining, 207.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 352000 748.6935 2062.9680 1945.1128 101.8854 -206508.3101 18002.3953 0.0000 0.0000 34281.0949 -149366.1602 299.3853 -183647.2551 -149273.7294 298.4894 134.2489 167.2573 556362.4436 5.7263 5.8371 PRESSURE: 352200 133.92 -76.6498 -190.648 -76.65 -25.5739 24.7508 -190.649 24.7519 407.696 GPRESSURE: 352200 238.733 -143.887 -203.361 -114.695 16.9971 48.7478 -158.143 -8.58072 355.421 PRESSAVG: 352200 33.6549 -30.5106 33.8804 -30.5106 -20.7382 -27.1216 33.8805 -27.1215 -41.6747 GPRESSAVG: 352200 35.5828 -31.5015 35.2705 -30.9395 -22.1923 -28.0404 31.9607 -27.7504 -41.8163 TIMING: 352200 CPU: 1017.28, 0.00288222/step Wall: 1017.28, 0.00288222/step, 3.7211 hours remaining, 207.199219 MB of memory in use. ENERGY: 352200 734.8044 2087.5552 1945.3970 107.7996 -206559.1252 18034.3810 0.0000 0.0000 34081.2161 -149567.9718 297.6397 -183649.1879 -149478.8865 297.9496 172.0142 203.7171 557420.9092 -9.5860 -9.4753 LDB: ============= START OF LOAD BALANCING ============== 1020.67 LDB: ============== END OF LOAD BALANCING =============== 1020.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1020.67 LDB: ============= START OF LOAD BALANCING ============== 1020.96 LDB: Largest compute 4822 load 0.025541 is 21.7% of average load 0.117823 LDB: Average compute 0.001713 is 1.5% of average load 0.117823 LDB: TIME 1020.96 LOAD: AVG 0.117823 MAX 0.180213 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.539 MB LDB: TIME 1020.96 LOAD: AVG 0.117823 MAX 0.180213 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.742 MB LDB: TIME 1020.96 LOAD: AVG 0.117823 MAX 0.180213 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1020.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1020.97 PRESSURE: 352400 66.1603 186.436 -61.2767 186.437 45.1629 -51.9861 -61.2766 -51.9883 -205.161 GPRESSURE: 352400 58.7093 105.379 -108.535 175.586 109.224 -34.1209 19.9357 -12.7291 -173.984 PRESSAVG: 352400 101.968 75.4755 -8.78258 75.4756 -13.6371 -21.8912 -8.78251 -21.8912 -20.6566 GPRESSAVG: 352400 100.905 75.0397 -9.40768 75.4546 -13.1296 -22.8127 -7.61025 -21.8707 -20.0387 TIMING: 352400 CPU: 1017.87, 0.00292668/step Wall: 1017.87, 0.00292668/step, 3.77835 hours remaining, 204.320312 MB of memory in use. ENERGY: 352400 776.8672 2102.8540 1957.4796 124.2383 -206234.7131 17853.6830 0.0000 0.0000 34020.8571 -149398.7339 297.1126 -183419.5910 -149303.1728 298.0910 -31.2794 -2.0171 557124.3528 22.5582 22.5789 PRESSURE: 352600 -102.996 147.539 -20.8834 147.537 22.1133 58.4654 -20.884 58.4635 -20.493 GPRESSURE: 352600 -36.69 164.256 83.9766 226.665 14.7749 112.831 -39.2027 9.90203 7.96296 PRESSAVG: 352600 107.001 33.2266 -6.04524 33.2266 19.4457 11.981 -6.04516 11.9809 -43.925 GPRESSAVG: 352600 106.506 34.6996 -5.9057 32.797 19.336 13.1101 -5.29515 11.9579 -43.0224 TIMING: 352600 CPU: 1018.45, 0.00288768/step Wall: 1018.45, 0.00288768/step, 3.72784 hours remaining, 204.320312 MB of memory in use. ENERGY: 352600 737.7581 2127.3690 1953.4637 119.0339 -206305.0799 17778.3529 0.0000 0.0000 34263.0330 -149326.0693 299.2276 -183589.1023 -149223.5566 299.0041 -33.7921 -4.6507 557297.3944 27.5074 27.6064 PRESSURE: 352800 -26.5604 2.89647 -111.276 2.89691 24.5829 134.715 -111.276 134.715 -496.562 GPRESSURE: 352800 30.4214 -48.1031 -26.4446 36.392 -7.52921 86.4017 -158.485 215.173 -438.532 PRESSAVG: 352800 20.1807 93.6245 -89.3297 93.6245 -9.37805 31.3452 -89.3297 31.3452 -22.5323 GPRESSAVG: 352800 21.5988 93.9364 -90.5325 93.264 -10.0654 32.3415 -90.0157 32.313 -23.0904 TIMING: 352800 CPU: 1019.02, 0.00287953/step Wall: 1019.02, 0.00287953/step, 3.71715 hours remaining, 204.320312 MB of memory in use. ENERGY: 352800 739.0372 2112.3301 1959.1643 126.8556 -206397.6058 17759.2542 0.0000 0.0000 34352.8848 -149348.0796 300.0123 -183700.9644 -149248.2305 299.6475 -166.1797 -138.5468 556780.8327 -3.9099 -3.8523 PRESSURE: 353000 -176.24 -44.0611 160.354 -44.0611 -101.017 -185.81 160.354 -185.811 182.164 GPRESSURE: 353000 -141.008 -84.5916 158.531 -46.5381 -44.9465 -246.733 236.701 -127.186 181.789 PRESSAVG: 353000 -15.6296 -10.9949 8.59501 -10.9951 1.97616 9.43002 8.59517 9.43004 -21.7675 GPRESSAVG: 353000 -16.5312 -11.7232 8.44724 -9.10348 3.13947 9.0975 9.0238 7.2235 -22.0897 TIMING: 353000 CPU: 1019.6, 0.00288578/step Wall: 1019.6, 0.00288578/step, 3.72506 hours remaining, 204.320312 MB of memory in use. ENERGY: 353000 743.7444 2089.9428 1921.8989 107.5128 -205715.1783 17589.3140 0.0000 0.0000 34177.6464 -149085.1191 298.4819 -183262.7655 -148994.8721 299.4282 -31.6975 -1.3885 557178.3667 -11.8070 -11.8271 PRESSURE: 353200 -36.0425 -29.6894 121.88 -29.6906 80.1844 34.2841 121.88 34.2837 -77.3734 GPRESSURE: 353200 35.3474 -21.1754 274.376 -76.4929 95.1478 -39.344 31.8299 111.393 -63.4954 PRESSAVG: 353200 -25.1744 2.04836 4.17699 2.04835 -42.6389 -60.8732 4.17697 -60.8732 76.2337 GPRESSAVG: 353200 -24.595 2.83674 4.95824 1.33553 -42.3132 -63.5279 2.0489 -59.135 75.3691 TIMING: 353200 CPU: 1020.18, 0.00287396/step Wall: 1020.18, 0.00287396/step, 3.70964 hours remaining, 204.523438 MB of memory in use. ENERGY: 353200 729.5080 2079.1905 1936.1877 114.3244 -205704.6802 17522.6585 0.0000 0.0000 34126.3144 -149196.4968 298.0336 -183322.8112 -149101.8665 299.6543 -11.0772 22.3333 557241.5639 2.8068 2.8203 PRESSURE: 353400 -104.214 83.3199 -102.472 83.3183 16.8489 13.3372 -102.471 13.3382 -42.827 GPRESSURE: 353400 -52.6855 129.67 -168.711 85.808 50.6267 30.7726 -98.8511 12.2728 -25.427 PRESSAVG: 353400 -29.5321 23.5171 -24.6904 23.5171 36.5742 -46.2222 -24.6905 -46.2222 -26.1156 GPRESSAVG: 353400 -28.5353 22.536 -26.1768 23.2427 34.9475 -42.5056 -22.2029 -46.5334 -25.1895 TIMING: 353400 CPU: 1020.75, 0.00287893/step Wall: 1020.75, 0.00287893/step, 3.7159 hours remaining, 204.789062 MB of memory in use. ENERGY: 353400 739.1159 2132.6960 1939.0300 108.6587 -205832.0309 17595.5138 0.0000 0.0000 34249.9807 -149067.0358 299.1136 -183317.0164 -148968.7371 299.9724 -43.3973 -9.1619 558295.3498 -6.3578 -6.2591 PRESSURE: 353600 -70.5206 -21.5938 -22.4276 -21.5945 -59.7743 113.885 -22.4279 113.885 60.5908 GPRESSURE: 353600 6.15434 -73.3609 -97.6287 4.9484 -15.5731 72.6707 -36.6095 106.933 42.9806 PRESSAVG: 353600 -51.0229 9.62774 -35.1602 9.62765 -36.9878 -1.77721 -35.1602 -1.77723 67.6392 GPRESSAVG: 353600 -51.1506 11.2639 -34.1429 9.43228 -35.8695 -3.36232 -36.6229 -2.58473 66.5513 TIMING: 353600 CPU: 1021.33, 0.00289426/step Wall: 1021.33, 0.00289426/step, 3.73552 hours remaining, 204.789062 MB of memory in use. ENERGY: 353600 765.4435 2095.7754 1926.4255 104.6018 -206156.5675 17787.1251 0.0000 0.0000 34405.9433 -149071.2529 300.4757 -183477.1962 -148977.8168 299.9254 -23.2347 11.1873 557819.3560 -6.7905 -6.8230 PRESSURE: 353800 -90.9692 74.304 -36.1322 74.302 139.612 76.816 -36.1326 76.8161 -16.1881 GPRESSURE: 353800 -51.633 111.354 -30.6745 118.545 154.052 87.6041 80.9237 68.2151 28.0425 PRESSAVG: 353800 -55.1189 -12.4231 -6.02117 -12.4232 -64.7025 -28.3461 -6.02116 -28.346 105.726 GPRESSAVG: 353800 -54.9001 -13.1106 -6.24165 -12.6364 -64.6359 -29.1571 -6.27803 -27.6509 105.47 TIMING: 353800 CPU: 1021.9, 0.00287267/step Wall: 1021.9, 0.00287267/step, 3.70751 hours remaining, 204.789062 MB of memory in use. ENERGY: 353800 735.1257 2072.9726 1937.7225 119.0753 -206005.3619 17846.2017 0.0000 0.0000 34377.9838 -148916.2802 300.2315 -183294.2640 -148819.4935 299.3486 10.8183 43.4873 559481.0270 -4.6986 -4.6886 PRESSURE: 354000 -137.05 57.4216 55.2818 57.42 -172.538 -45.4641 55.2807 -45.464 -190.527 GPRESSURE: 354000 -55.6643 -5.03067 46.0682 61.9318 -119.36 -53.5389 32.7368 -26.3062 -231.932 PRESSAVG: 354000 -8.8028 -11.6389 -7.66576 -11.6389 -36.4762 43.1391 -7.66586 43.1391 94.0269 GPRESSAVG: 354000 -10.5662 -13.9125 -10.34 -12.6851 -35.5091 44.0529 -5.13645 43.3305 94.8175 TIMING: 354000 CPU: 1022.48, 0.00286936/step Wall: 1022.48, 0.00286936/step, 3.70306 hours remaining, 204.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 354000 753.6603 2101.5175 1931.6109 114.2983 -205761.0625 17443.4660 0.0000 0.0000 34582.9495 -148833.5601 302.0215 -183416.5096 -148723.6372 300.3616 -166.7050 -135.6520 557772.4725 16.2493 16.2474 PRESSURE: 354200 -147.965 90.5512 -203.032 90.5514 -139.023 77.2271 -203.032 77.2277 186.165 GPRESSURE: 354200 -117.986 78.4229 -250.365 136.198 -44.3775 168.741 -108.842 24.1274 150.514 PRESSAVG: 354200 20.3341 19.4899 -23.8834 19.4899 -64.0813 -12.1487 -23.8835 -12.1487 55.7826 GPRESSAVG: 354200 21.6836 22.0873 -21.0314 21.1057 -65.1299 -11.3704 -25.1325 -12.5044 56.2302 TIMING: 354200 CPU: 1023.06, 0.00289563/step Wall: 1023.06, 0.00289563/step, 3.73681 hours remaining, 204.789062 MB of memory in use. ENERGY: 354200 728.3609 2117.9557 1951.5200 116.9637 -205930.7292 17603.6886 0.0000 0.0000 34307.4747 -149104.7657 299.6157 -183412.2403 -149002.5088 300.0175 -33.6078 -3.9500 556423.9186 4.0118 4.2613 PRESSURE: 354400 -160.153 -142.742 -1.29309 -142.741 150.54 -75.6851 -1.29233 -75.6851 162.284 GPRESSURE: 354400 -150.338 -182.467 22.8376 -155.702 247.948 -69.9295 -24.2986 -76.2355 140.109 PRESSAVG: 354400 -32.4819 15.9823 -8.66295 15.9823 22.8426 9.06004 -8.66285 9.06003 33.3517 GPRESSAVG: 354400 -33.0175 15.7282 -9.51756 15.3958 22.3559 6.80176 -9.70757 10.5574 34.3011 TIMING: 354400 CPU: 1023.64, 0.00289985/step Wall: 1023.64, 0.00289985/step, 3.74209 hours remaining, 204.789062 MB of memory in use. ENERGY: 354400 745.8903 2134.1038 1922.6840 122.5711 -206215.9846 17911.6654 0.0000 0.0000 34318.6509 -149060.4190 299.7133 -183379.0700 -148974.0682 299.6960 50.8901 79.2394 558003.9049 7.9041 7.8799 PRESSURE: 354600 -107.486 -78.7882 -253.386 -78.7896 -287.876 13.3648 -253.386 13.3637 -186.702 GPRESSURE: 354600 -14.5681 -121.526 -269.601 -95.6787 -313.029 5.6272 -238.898 -11.6882 -150.353 PRESSAVG: 354600 -39.2458 -43.6743 -80.022 -43.6743 42.5346 31.8148 -80.022 31.8149 -20.6602 GPRESSAVG: 354600 -39.4206 -45.0499 -80.1897 -43.2836 42.8643 31.7426 -78.9974 29.9748 -21.2065 TIMING: 354600 CPU: 1024.21, 0.00288397/step Wall: 1024.21, 0.00288397/step, 3.72144 hours remaining, 204.789062 MB of memory in use. ENERGY: 354600 793.6449 2077.0692 1939.1202 126.3760 -205847.6343 17444.6110 0.0000 0.0000 34321.9924 -149144.8205 299.7425 -183466.8129 -149042.8066 298.9658 -194.0214 -159.3169 558099.4255 -5.7905 -5.9209 PRESSURE: 354800 -141.722 72.3651 -136.417 72.3664 -52.9779 82.5282 -136.417 82.5259 150.281 GPRESSURE: 354800 -108.765 12.1124 -141.053 36.7322 -17.2504 79.5787 -104.325 119.925 195.642 PRESSAVG: 354800 -5.02436 -9.7018 -69.522 -9.70185 -26.671 0.138904 -69.522 0.138905 59.5217 GPRESSAVG: 354800 -5.56889 -10.3625 -69.2774 -10.212 -26.1922 1.88652 -69.9308 0.126623 59.3274 TIMING: 354800 CPU: 1024.79, 0.00289641/step Wall: 1024.79, 0.00289641/step, 3.73734 hours remaining, 204.789062 MB of memory in use. ENERGY: 354800 753.0890 2134.5885 1921.2389 120.8955 -206134.6646 17918.9155 0.0000 0.0000 34258.2862 -149027.6510 299.1861 -183285.9372 -148932.9090 299.8286 -14.8063 23.2087 557134.1787 9.2755 9.1888 PRESSURE: 355000 -264.988 -84.7753 137.265 -84.7763 -158.723 19.4973 137.265 19.4975 -311.19 GPRESSURE: 355000 -185.512 -32.8732 127.098 -7.28106 -213.514 63.5489 98.6235 -56.6421 -247.188 PRESSAVG: 355000 14.3263 -11.0113 -32.9783 -11.0112 -48.7521 -24.3697 -32.9784 -24.3698 18.8299 GPRESSAVG: 355000 14.1532 -11.4852 -30.73 -10.5458 -49.7027 -23.8359 -32.7697 -23.02 20.1539 TIMING: 355000 CPU: 1025.37, 0.00288665/step Wall: 1025.37, 0.00288665/step, 3.72458 hours remaining, 204.789062 MB of memory in use. ENERGY: 355000 736.8094 2124.3760 1944.3278 113.2854 -205953.5256 17535.0864 0.0000 0.0000 34389.9020 -149109.7386 300.3356 -183499.6406 -149006.2094 299.5120 -244.9672 -215.4047 559079.0416 -5.1986 -5.1319 PRESSURE: 355200 120.966 -21.6233 -56.7522 -21.6234 51.903 -147.56 -56.7533 -147.559 4.41937 GPRESSURE: 355200 128.949 -11.2768 37.608 23.2699 108.885 -88.7609 -81.8534 -186.191 33.4104 PRESSAVG: 355200 22.9087 -34.8098 -58.1694 -34.8098 27.9336 6.71227 -58.1694 6.71229 -38.1293 GPRESSAVG: 355200 23.4207 -31.4029 -60.8793 -35.7261 28.7373 5.16494 -57.9147 7.31653 -39.2873 TIMING: 355200 CPU: 1025.95, 0.00291727/step Wall: 1025.95, 0.00291727/step, 3.76392 hours remaining, 204.789062 MB of memory in use. ENERGY: 355200 774.4123 2138.6331 1930.9032 116.2268 -206570.2292 18068.2424 0.0000 0.0000 34306.8884 -149234.9231 299.6106 -183541.8114 -149138.8190 299.5549 59.0962 90.4149 557805.5037 4.2377 4.2902 PRESSURE: 355400 -88.3613 3.14185 12.0514 3.14278 -82.451 -212.506 12.0513 -212.505 7.216 GPRESSURE: 355400 -99.8491 30.3109 -41.2262 -57.1905 -34.5775 -260.93 57.5566 -173.112 80.1968 PRESSAVG: 355400 -36.2486 -15.0008 14.0283 -15.0008 80.8937 -22.1494 14.0283 -22.1494 8.77117 GPRESSAVG: 355400 -36.7006 -17.5287 13.964 -13.8364 81.445 -21.3783 15.3463 -22.8209 8.76727 TIMING: 355400 CPU: 1026.54, 0.00291544/step Wall: 1026.54, 0.00291544/step, 3.76141 hours remaining, 204.789062 MB of memory in use. ENERGY: 355400 748.6172 2040.4883 1953.0819 113.7412 -206268.9818 17835.0678 0.0000 0.0000 34155.9371 -149422.0484 298.2923 -183577.9855 -149325.5348 298.5023 -54.5321 -18.0766 558989.3444 17.8054 17.8372 PRESSURE: 355600 -63.6098 -121.145 43.172 -121.145 -68.4599 -3.92765 43.1725 -3.9274 265.439 GPRESSURE: 355600 -53.3235 -186.788 72.7535 -79.2519 -14.2519 -62.3987 76.2373 48.5801 311.031 PRESSAVG: 355600 -55.2248 6.02948 -2.02629 6.02928 25.3686 -40.4644 -2.02634 -40.4645 -4.56466 GPRESSAVG: 355600 -55.2211 8.82322 -0.251578 3.65105 24.5143 -40.3787 -3.94984 -40.0007 -3.31209 TIMING: 355600 CPU: 1027.12, 0.00290925/step Wall: 1027.12, 0.00290925/step, 3.75325 hours remaining, 204.789062 MB of memory in use. ENERGY: 355600 712.2123 2132.5439 1949.9174 111.9201 -206194.1546 17925.6772 0.0000 0.0000 34098.4388 -149263.4449 297.7901 -183361.8837 -149174.3409 298.5397 44.4564 81.1517 558624.2372 -11.4736 -11.3396 PRESSURE: 355800 -188.373 -62.7299 -17.8494 -62.7299 -209.104 56.9034 -17.8487 56.9025 -218.118 GPRESSURE: 355800 -145.431 -9.45151 2.57858 -118.875 -185.146 40.1283 -38.0704 113.589 -181.888 PRESSAVG: 355800 -29.2692 0.632314 25.564 0.632339 -38.0087 -4.04354 25.564 -4.04346 36.0916 GPRESSAVG: 355800 -28.6346 -1.84762 23.7702 1.33396 -39.5904 -3.80633 26.1993 -5.65066 36.7472 TIMING: 355800 CPU: 1027.7, 0.00289101/step Wall: 1027.7, 0.00289101/step, 3.72956 hours remaining, 204.789062 MB of memory in use. ENERGY: 355800 759.9681 2099.5748 1934.5490 121.6101 -205959.4963 17588.7587 0.0000 0.0000 34374.5766 -149080.4590 300.2017 -183455.0356 -148973.3329 300.0154 -205.1984 -170.8216 558672.7024 -10.3954 -10.4926 PRESSURE: 356000 -94.9231 147.945 -103.671 147.946 -19.1746 75.3526 -103.671 75.3538 77.4911 GPRESSURE: 356000 -51.1082 135.959 -146.964 108.63 18.4437 72.4426 -15.9814 126.168 85.9778 PRESSAVG: 356000 21.9804 48.8486 13.7134 48.8485 -17.4756 6.21832 13.7134 6.21838 0.523118 GPRESSAVG: 356000 21.7085 49.4035 13.1944 49.2063 -16.0614 5.20491 13.9537 7.99499 -0.862646 TIMING: 356000 CPU: 1028.28, 0.00290333/step Wall: 1028.28, 0.00290333/step, 3.7453 hours remaining, 204.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 356000 775.0426 2107.0532 1927.6092 110.8594 -206049.0111 17877.1289 0.0000 0.0000 34322.0260 -148929.2918 299.7428 -183251.3178 -148830.0924 300.5211 -12.2022 17.7711 559538.6834 1.6760 1.5948 PRESSURE: 356200 -13.4468 122.102 87.6254 122.102 64.9589 -77.3996 87.6254 -77.3992 10.3449 GPRESSURE: 356200 71.4921 86.906 119.843 125.437 66.7358 -98.4684 91.1012 -127.141 24.1464 PRESSAVG: 356200 24.3899 37.6742 -3.96716 37.6743 -43.6936 18.954 -3.96719 18.954 75.2085 GPRESSAVG: 356200 24.8916 37.2273 -0.685992 38.6471 -44.3287 19.7769 -5.51048 19.5629 75.1573 TIMING: 356200 CPU: 1028.86, 0.00288767/step Wall: 1028.86, 0.00288767/step, 3.72493 hours remaining, 204.789062 MB of memory in use. ENERGY: 356200 770.9753 2112.1685 1965.7863 115.0157 -206667.3663 18084.5047 0.0000 0.0000 34583.1469 -149035.7689 302.0232 -183618.9157 -148935.2469 300.6691 20.6190 54.1248 557817.4116 18.6350 18.5734 LDB: ============= START OF LOAD BALANCING ============== 1032.24 LDB: ============== END OF LOAD BALANCING =============== 1032.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1032.24 LDB: ============= START OF LOAD BALANCING ============== 1032.53 LDB: Largest compute 4822 load 0.027623 is 23.4% of average load 0.117868 LDB: Average compute 0.001711 is 1.5% of average load 0.117868 LDB: TIME 1032.53 LOAD: AVG 0.117868 MAX 0.180149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.352 MB LDB: TIME 1032.53 LOAD: AVG 0.117868 MAX 0.180149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.352 MB LDB: TIME 1032.53 LOAD: AVG 0.117868 MAX 0.180149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1032.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1032.54 PRESSURE: 356400 -101.389 189.68 33.4884 189.678 113.005 -120.729 33.4882 -120.73 -124.979 GPRESSURE: 356400 -118.748 177.396 28.6549 206.742 174.416 -110.06 0.802196 -119.221 -56.2024 PRESSAVG: 356400 0.63508 15.5393 -20.6538 15.5393 13.2021 1.97644 -20.6538 1.97629 -41.755 GPRESSAVG: 356400 0.0555465 15.2098 -22.6286 15.6657 13.4996 2.02067 -19.9546 2.68546 -41.6103 TIMING: 356400 CPU: 1029.44, 0.00293624/step Wall: 1029.44, 0.00293623/step, 3.78742 hours remaining, 204.519531 MB of memory in use. ENERGY: 356400 799.3986 2008.8207 1959.6584 117.0165 -205565.1647 17542.5594 0.0000 0.0000 34282.6328 -148855.0782 299.3988 -183137.7111 -148761.6175 300.6606 -37.7876 -0.1782 557799.1068 -9.3060 -9.3517 PRESSURE: 356600 116.284 25.0209 64.6688 25.0216 -15.455 136.42 64.6698 136.418 91.0495 GPRESSURE: 356600 148.773 40.1409 80.17 5.00271 33.8652 100.272 55.8452 237.13 102.211 PRESSAVG: 356600 1.87913 12.7228 -66.6984 12.7228 -16.3258 22.1405 -66.6983 22.1406 6.28659 GPRESSAVG: 356600 1.64047 11.6014 -65.8459 13.9277 -16.2643 23.6943 -64.619 21.8788 6.12902 TIMING: 356600 CPU: 1030.02, 0.00287083/step Wall: 1030.02, 0.00287083/step, 3.70289 hours remaining, 204.519531 MB of memory in use. ENERGY: 356600 758.1776 2125.6546 1935.7175 118.5773 -205998.9690 17972.7621 0.0000 0.0000 34106.5480 -148981.5320 297.8610 -183088.0800 -148885.1331 300.2063 63.9596 94.9496 559382.5094 -2.7200 -2.8316 PRESSURE: 356800 118.036 45.0663 -120.781 45.0661 -191.368 -107.942 -120.781 -107.942 -466.61 GPRESSURE: 356800 179.422 2.82545 -79.5393 34.3953 -159.47 -81.8091 -126.533 -107.614 -467.878 PRESSAVG: 356800 50.0396 19.2288 1.06938 19.2288 -60.4063 -20.2602 1.06937 -20.2601 14.7111 GPRESSAVG: 356800 50.4717 22.8581 0.946996 16.2181 -60.3811 -22.2692 -0.992434 -19.8666 14.1146 TIMING: 356800 CPU: 1030.6, 0.00289067/step Wall: 1030.6, 0.00289067/step, 3.72833 hours remaining, 204.519531 MB of memory in use. ENERGY: 356800 787.3404 2113.3080 1922.4972 104.6417 -205740.9112 17631.1034 0.0000 0.0000 34218.0364 -148963.9840 298.8346 -183182.0204 -148869.9337 300.0629 -179.9807 -149.3086 560680.8573 1.4481 1.4017 PRESSURE: 357000 -63.6467 -160.102 -108.652 -160.102 -104.224 -139.579 -108.653 -139.579 -225.335 GPRESSURE: 357000 -23.6697 -112.134 -129.005 -86.4596 -55.164 -115.404 -71.0031 -107.328 -206.023 PRESSAVG: 357000 -46.5431 -13.8104 -19.5632 -13.8104 103.046 -65.244 -19.5631 -65.244 -32.5234 GPRESSAVG: 357000 -46.5673 -15.1699 -18.7354 -12.6027 102.652 -64.1458 -19.5806 -67.4449 -32.2189 TIMING: 357000 CPU: 1031.17, 0.00288767/step Wall: 1031.17, 0.00288767/step, 3.7243 hours remaining, 204.519531 MB of memory in use. ENERGY: 357000 804.1595 2108.0798 1932.3413 115.3187 -205909.1781 17794.4970 0.0000 0.0000 34412.3485 -148742.4332 300.5316 -183154.7817 -148648.5094 300.0505 -131.0686 -94.9521 560535.5800 7.9932 7.9552 PRESSURE: 357200 -67.0968 30.7212 -49.4704 30.722 -232.028 -1.79382 -49.4709 -1.7932 -117.397 GPRESSURE: 357200 -45.1895 -52.0294 -6.87748 86.4901 -209.588 15.5253 -118.58 -30.5369 -76.8495 PRESSAVG: 357200 -29.6509 22.9072 11.864 22.9073 92.242 27.7694 11.8639 27.7695 -40.5633 GPRESSAVG: 357200 -29.3797 22.0658 11.9226 23.4694 91.3881 28.8584 12.6479 27.6707 -40.5187 TIMING: 357200 CPU: 1031.75, 0.00290861/step Wall: 1031.75, 0.00290861/step, 3.75114 hours remaining, 204.519531 MB of memory in use. ENERGY: 357200 754.9801 2117.5216 1937.4685 116.6296 -205862.9287 17676.8431 0.0000 0.0000 34438.3938 -148821.0919 300.7591 -183259.4857 -148726.0862 299.9269 -138.8406 -110.5422 561003.5831 7.3426 7.1632 PRESSURE: 357400 -49.457 -133.59 53.351 -133.59 20.2279 -92.9563 53.351 -92.9546 101.711 GPRESSURE: 357400 -47.4827 -48.5368 31.7725 -130.673 105.834 -162.862 103.994 -16.3539 108.158 PRESSAVG: 357400 -38.1766 -8.27935 -35.3877 -8.27932 26.5363 -35.5095 -35.3877 -35.5096 21.6048 GPRESSAVG: 357400 -38.9372 -9.08871 -35.6734 -8.62647 27.4524 -37.3091 -36.9666 -32.5913 21.3593 TIMING: 357400 CPU: 1032.33, 0.00288651/step Wall: 1032.33, 0.00288651/step, 3.72248 hours remaining, 204.519531 MB of memory in use. ENERGY: 357400 726.0271 2044.5934 1954.8894 110.5535 -205942.9341 17752.3080 0.0000 0.0000 34499.1157 -148855.4470 301.2894 -183354.5627 -148752.7199 300.2556 24.1606 55.5030 558444.1475 3.3215 3.2915 PRESSURE: 357600 5.14254 64.5519 49.7067 64.5507 -138.013 -42.715 49.7062 -42.7151 -146.111 GPRESSURE: 357600 17.4018 -28.6737 60.8707 106.751 -71.6904 10.5385 3.04874 -35.4384 -134.084 PRESSAVG: 357600 -7.402 53.7011 24.9214 53.7011 -1.82909 4.28428 24.9214 4.28436 -9.69901 GPRESSAVG: 357600 -7.61238 54.66 24.3154 53.0892 -0.937859 6.23127 26.0846 3.38246 -10.585 TIMING: 357600 CPU: 1032.91, 0.00287986/step Wall: 1032.91, 0.00287986/step, 3.71373 hours remaining, 204.519531 MB of memory in use. ENERGY: 357600 773.4986 2074.8038 1925.8887 113.3562 -206014.5247 17754.4656 0.0000 0.0000 34449.8897 -148922.6221 300.8595 -183372.5117 -148829.2382 299.8950 -92.9938 -62.7908 559042.5006 -6.3100 -6.3784 PRESSURE: 357800 -158.507 171.959 110.006 171.959 57.8435 13.2832 110.006 13.2817 -109.137 GPRESSURE: 357800 -169.225 187.514 50.3302 149.04 98.8871 -54.5353 181.968 -19.5767 -38.8542 PRESSAVG: 357800 -11.2147 37.0417 49.9291 37.0418 -52.372 -11.7604 49.929 -11.7604 29.7109 GPRESSAVG: 357800 -12.1679 37.298 50.4527 38.1057 -52.282 -13.1671 48.8119 -11.104 30.21 TIMING: 357800 CPU: 1033.48, 0.00287678/step Wall: 1033.48, 0.00287678/step, 3.7096 hours remaining, 204.519531 MB of memory in use. ENERGY: 357800 717.5250 2119.7411 1943.7604 106.5997 -205812.1316 17778.5091 0.0000 0.0000 34390.3416 -148755.6546 300.3394 -183145.9962 -148654.6212 300.6101 -69.9333 -36.3975 559418.2189 -11.2919 -11.4133 PRESSURE: 358000 -61.2433 35.9064 105.205 35.9062 -119.976 -156.679 105.203 -156.679 -377.95 GPRESSURE: 358000 -5.7516 60.8451 90.1676 3.40697 -128.869 -152.408 118.846 -252.861 -328.536 PRESSAVG: 358000 72.2634 41.2335 10.0482 41.2335 46.4055 -17.0066 10.0483 -17.0066 -85.085 GPRESSAVG: 358000 73.9988 39.8105 8.65038 41.2374 44.5198 -13.9385 11.5051 -20.5783 -84.9724 TIMING: 358000 CPU: 1034.06, 0.00288685/step Wall: 1034.06, 0.00288685/step, 3.72243 hours remaining, 204.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 358000 749.1726 2100.8617 1963.7454 122.3227 -205806.6472 17594.0717 0.0000 0.0000 34450.0107 -148826.4624 300.8605 -183276.4731 -148724.3865 300.7834 -186.3898 -154.3855 560256.0619 11.1946 11.1821 PRESSURE: 358200 72.6042 43.0693 -63.0833 43.0702 96.0052 -40.9252 -63.0843 -40.926 78.0057 GPRESSURE: 358200 101.706 50.0317 -16.3125 0.955491 121.326 -114.806 -211.943 64.4004 134.685 PRESSAVG: 358200 -14.3809 18.3783 11.3072 18.3784 82.0638 23.3066 11.3072 23.3065 -31.7446 GPRESSAVG: 358200 -15.3 21.8625 11.2583 16.2931 83.2897 21.3304 9.77263 25.6027 -31.9944 TIMING: 358200 CPU: 1034.64, 0.00290406/step Wall: 1034.64, 0.00290406/step, 3.74446 hours remaining, 204.519531 MB of memory in use. ENERGY: 358200 757.0554 2122.8129 1945.2470 113.7108 -206099.4769 18029.9839 0.0000 0.0000 34240.7640 -148889.9028 299.0331 -183130.6668 -148787.8462 300.0612 82.2051 119.2390 559117.0011 11.9794 11.9984 PRESSURE: 358400 -185.404 -135.06 -86.1326 -135.06 -130.281 88.4267 -86.1311 88.4269 -271.613 GPRESSURE: 358400 -112.302 -83.5373 -50.0797 -248.123 -115.334 153.172 -103.39 29.1218 -259.298 PRESSAVG: 358400 -39.6953 10.6613 -8.78566 10.6613 20.9254 44.8069 -8.78556 44.8068 -34.4077 GPRESSAVG: 358400 -38.131 7.59137 -8.54956 12.685 19.7658 44.7436 -8.20766 45.2124 -34.7514 TIMING: 358400 CPU: 1035.21, 0.0028621/step Wall: 1035.21, 0.0028621/step, 3.6902 hours remaining, 204.519531 MB of memory in use. ENERGY: 358400 735.9019 2102.7838 1982.6532 104.4682 -205695.8908 17539.1910 0.0000 0.0000 34266.4165 -148964.4762 299.2571 -183230.8927 -148863.2039 300.6228 -195.7661 -162.3113 558913.6404 -17.7259 -17.7055 PRESSURE: 358600 93.252 128.668 -69.2827 128.668 185.72 -44.8966 -69.2829 -44.8972 -201.704 GPRESSURE: 358600 142.58 85.3426 -110.139 223.956 240.126 -29.9504 -129.635 -17.7194 -205.863 PRESSAVG: 358600 129.097 -16.0967 -35.5376 -16.0967 -13.4494 -1.12039 -35.5376 -1.12049 -80.3368 GPRESSAVG: 358600 128.473 -13.8389 -36.0707 -17.4207 -13.1351 -1.30855 -34.7481 -1.82369 -79.7971 TIMING: 358600 CPU: 1035.79, 0.00288066/step Wall: 1035.79, 0.00288066/step, 3.71397 hours remaining, 204.519531 MB of memory in use. ENERGY: 358600 750.0897 2128.0366 1947.0150 125.8819 -206356.1377 17881.9435 0.0000 0.0000 34333.7581 -149189.4130 299.8452 -183523.1710 -149086.4654 299.4735 25.7560 58.9475 557636.9416 11.7701 11.8471 PRESSURE: 358800 -72.682 -108.633 -100.172 -108.633 82.9465 -53.6874 -100.173 -53.6878 -33.6215 GPRESSURE: 358800 -3.28001 -83.0158 -111.191 -115.265 127.299 -77.5063 -45.1794 -54.707 -59.8626 PRESSAVG: 358800 20.6194 -27.1503 0.528531 -27.1502 10.9101 -5.16381 0.528471 -5.16386 -20.2975 GPRESSAVG: 358800 20.464 -29.5072 -0.455677 -24.9146 11.5013 -5.2156 1.36532 -5.97107 -20.9265 TIMING: 358800 CPU: 1036.37, 0.00290156/step Wall: 1036.37, 0.00290156/step, 3.74076 hours remaining, 204.519531 MB of memory in use. ENERGY: 358800 757.1037 2068.1332 1941.9933 112.6090 -206282.7850 17846.9460 0.0000 0.0000 34249.0956 -149306.9043 299.1059 -183555.9999 -149209.0378 299.7135 -7.7857 21.3855 557783.4493 3.7440 3.6796 PRESSURE: 359000 -98.8789 58.8224 212.988 58.8218 -55.3975 2.50086 212.989 2.50158 438.214 GPRESSURE: 359000 -57.429 44.4039 135.336 103.77 20.6891 87.2068 198.551 29.8695 414.788 PRESSAVG: 359000 1.0412 -3.6457 32.8827 -3.64576 1.4271 -3.9889 32.8827 -3.98888 22.772 GPRESSAVG: 359000 -0.340724 -2.74284 35.244 -4.47232 1.85105 -4.55676 32.085 -3.65989 23.7523 TIMING: 359000 CPU: 1036.95, 0.00287674/step Wall: 1036.95, 0.00287674/step, 3.7086 hours remaining, 204.519531 MB of memory in use. ENERGY: 359000 708.5255 2109.0122 1953.4835 105.3382 -206402.0438 17947.1043 0.0000 0.0000 34177.8388 -149400.7413 298.4836 -183578.5801 -149310.6416 299.5309 94.6457 126.0162 557983.1203 8.4134 8.4209 PRESSURE: 359200 -31.2145 240.644 -225.11 240.644 -111.468 -26.3361 -225.109 -26.3372 -161.226 GPRESSURE: 359200 41.7271 198.282 -306.912 206.612 -111.804 21.9551 -153.076 -53.5128 -126.072 PRESSAVG: 359200 -25.8498 31.5031 -11.587 31.503 21.5103 -61.764 -11.5869 -61.7641 22.9331 GPRESSAVG: 359200 -24.0866 31.3339 -12.9985 32.0987 20.6193 -61.2412 -12.4666 -60.9038 22.2897 TIMING: 359200 CPU: 1037.52, 0.00286131/step Wall: 1037.52, 0.00286131/step, 3.68854 hours remaining, 204.519531 MB of memory in use. ENERGY: 359200 758.2091 2124.0672 1961.8808 108.4038 -206006.0744 17691.9452 0.0000 0.0000 34049.8468 -149311.7216 297.3658 -183361.5684 -149218.8894 299.7642 -101.3029 -65.3832 558300.5439 6.1978 6.2741 PRESSURE: 359400 -122.083 20.6501 117.588 20.6509 -139.912 -59.3161 117.589 -59.3161 -194.015 GPRESSURE: 359400 -135.421 -32.527 140.977 70.8171 -35.5811 -60.4898 95.3836 -41.4761 -186.641 PRESSAVG: 359400 -60.5011 38.9677 -28.6653 38.9677 37.5283 -86.1399 -28.6653 -86.1398 20.663 GPRESSAVG: 359400 -60.7509 39.6544 -27.8579 37.0588 38.4022 -85.3582 -28.8446 -87.7614 19.9173 TIMING: 359400 CPU: 1038.09, 0.0028786/step Wall: 1038.09, 0.0028786/step, 3.71068 hours remaining, 204.519531 MB of memory in use. ENERGY: 359400 727.7861 2154.8788 1993.6950 119.0731 -205787.2908 17433.3130 0.0000 0.0000 34081.8106 -149276.7342 297.6449 -183358.5448 -149179.4695 299.0005 -152.0031 -119.2143 557731.5838 -0.7700 -0.8105 PRESSURE: 359600 -19.0385 -92.619 -174.312 -92.62 66.3641 -27.1306 -174.312 -27.131 -29.9951 GPRESSURE: 359600 -6.85405 -79.6893 -106.991 -95.0546 107.696 -33.2272 -138.247 -29.0769 11.0769 PRESSAVG: 359600 -4.89863 8.05396 -21.9862 8.05397 31.9461 -40.9845 -21.9862 -40.9845 -4.77979 GPRESSAVG: 359600 -4.44563 8.4905 -21.5942 8.56123 30.0079 -42.0952 -21.1057 -41.3196 -3.36737 TIMING: 359600 CPU: 1038.67, 0.00287163/step Wall: 1038.67, 0.00287163/step, 3.70153 hours remaining, 204.519531 MB of memory in use. ENERGY: 359600 755.9272 2135.4184 1982.2122 97.1829 -206240.6094 17897.8185 0.0000 0.0000 34151.2918 -149220.7584 298.2517 -183372.0502 -149129.1646 299.5006 5.7768 37.3061 557209.7698 7.4226 7.3983 PRESSURE: 359800 -203.024 27.3531 87.8026 27.352 -211.775 57.9687 87.8033 57.9687 -109.727 GPRESSURE: 359800 -173.23 24.6716 102.112 54.6126 -164.873 -21.1532 68.3057 64.6904 -87.4297 PRESSAVG: 359800 -32.5737 19.7605 5.98884 19.7605 24.9423 -13.6636 5.98877 -13.6637 -3.51395 GPRESSAVG: 359800 -33.2721 18.9373 4.01887 19.1097 26.3 -14.4008 7.43172 -11.7947 -4.44527 TIMING: 359800 CPU: 1039.25, 0.00289396/step Wall: 1039.25, 0.00289396/step, 3.73016 hours remaining, 204.519531 MB of memory in use. ENERGY: 359800 732.6415 2076.7685 1936.7036 116.5596 -205673.7851 17404.2963 0.0000 0.0000 34233.8325 -149172.9831 298.9726 -183406.8156 -149072.4068 299.1797 -174.8417 -141.8442 557995.8704 -3.7151 -3.8058 PRESSURE: 360000 -72.97 17.1779 32.4046 17.1785 -497.287 80.3186 32.4046 80.3191 -190.39 GPRESSURE: 360000 -98.3527 102.701 46.7796 -128.395 -448.64 76.2415 63.3564 60.1755 -116.339 PRESSAVG: 360000 11.8723 32.9612 -8.73487 32.9612 -64.3356 22.6786 -8.73487 22.6785 31.6592 GPRESSAVG: 360000 11.0037 32.0186 -8.80884 35.3799 -64.5103 22.3983 -10.0988 24.5141 32.5054 TIMING: 360000 CPU: 1039.82, 0.00289114/step Wall: 1039.82, 0.00289114/step, 3.72636 hours remaining, 204.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 360000 746.2476 2095.1152 1959.2245 109.9123 -205906.0930 17497.3298 0.0000 0.0000 34245.9321 -149252.3315 299.0782 -183498.2636 -149149.1776 299.4653 -253.5492 -221.1107 557923.1824 -6.9347 -7.0004 PRESSURE: 360200 1.48975 -191.26 11.8741 -191.259 22.4738 -9.79305 11.874 -9.79094 -23.0844 GPRESSURE: 360200 46.4532 -82.7436 48.4014 -167.545 94.2118 -9.74267 49.2524 26.7581 -40.6 PRESSAVG: 360200 -41.5519 30.0745 0.880379 30.0744 -21.6261 30.2308 0.880346 30.2309 22.629 GPRESSAVG: 360200 -40.849 31.5737 2.95972 27.6045 -21.4228 30.8357 1.97208 27.5033 21.8305 TIMING: 360200 CPU: 1040.4, 0.00288953/step Wall: 1040.4, 0.00288953/step, 3.72413 hours remaining, 204.519531 MB of memory in use. ENERGY: 360200 703.4494 2082.4698 1957.5887 112.6670 -206326.2932 17804.7433 0.0000 0.0000 34180.7251 -149484.6498 298.5088 -183665.3749 -149386.7168 298.0296 0.2930 33.3550 556093.8880 -13.5163 -13.4804 LDB: ============= START OF LOAD BALANCING ============== 1043.79 LDB: ============== END OF LOAD BALANCING =============== 1043.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1043.79 LDB: ============= START OF LOAD BALANCING ============== 1044.08 LDB: Largest compute 4822 load 0.026331 is 22.3% of average load 0.117865 LDB: Average compute 0.001713 is 1.5% of average load 0.117865 LDB: TIME 1044.08 LOAD: AVG 0.117865 MAX 0.183246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.312 MB LDB: TIME 1044.08 LOAD: AVG 0.117865 MAX 0.183246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 1044.08 LOAD: AVG 0.117865 MAX 0.183246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: ============== END OF LOAD BALANCING =============== 1044.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1044.09 PRESSURE: 360400 2.69627 124.611 73.1209 124.611 -0.409329 113.443 73.1208 113.443 -178.208 GPRESSURE: 360400 37.51 173.941 9.76987 80.1745 -40.4454 81.3732 105.227 136.624 -84.9166 PRESSAVG: 360400 12.1536 0.554141 -35.5906 0.554115 29.6647 20.2615 -35.5907 20.2615 -16.8205 GPRESSAVG: 360400 12.1519 0.936802 -38.2703 1.51079 29.6565 20.5114 -35.5363 19.943 -17.1467 TIMING: 360400 CPU: 1041, 0.00296422/step Wall: 1041, 0.00296422/step, 3.82022 hours remaining, 206.054688 MB of memory in use. ENERGY: 360400 734.9208 2072.5580 1955.5379 116.9390 -206177.5214 17706.6577 0.0000 0.0000 34235.9658 -149354.9420 298.9912 -183590.9079 -149261.3034 298.4980 -58.6404 -29.2840 557279.1320 8.3326 8.2206 PRESSURE: 360600 -144.194 23.8174 208.395 23.8171 90.4126 -155.359 208.396 -155.359 73.9778 GPRESSURE: 360600 -138.762 44.8759 197.425 -37.6027 133.008 -135.19 189.127 -123.987 132.161 PRESSAVG: 360600 27.5606 10.1674 36.8506 10.1674 -5.2064 -27.7115 36.8506 -27.7115 14.8211 GPRESSAVG: 360600 26.9747 9.1389 38.3794 10.1535 -5.39342 -29.2929 37.2874 -26.4963 15.2338 TIMING: 360600 CPU: 1041.58, 0.0029022/step Wall: 1041.58, 0.0029022/step, 3.74013 hours remaining, 206.054688 MB of memory in use. ENERGY: 360600 766.8135 2088.4979 1948.3975 105.9848 -206648.6219 18032.1185 0.0000 0.0000 34271.1291 -149435.6807 299.2983 -183706.8098 -149335.8002 298.8639 6.7322 42.1357 557401.2918 12.3918 12.2717 PRESSURE: 360800 52.3503 5.65551 -78.9039 5.65608 -122.504 78.2354 -78.9044 78.238 -75.437 GPRESSURE: 360800 72.2557 39.0829 -58.8309 58.7769 -94.094 37.0684 -138.292 108.366 -31.3947 PRESSAVG: 360800 56.8214 -7.37095 -17.4984 -7.3709 -9.08344 -3.1824 -17.4984 -3.18237 -27.3392 GPRESSAVG: 360800 57.2814 -6.28073 -17.3082 -8.33158 -10.206 1.38847 -17.0084 -5.40498 -26.3938 TIMING: 360800 CPU: 1042.15, 0.00286316/step Wall: 1042.15, 0.00286316/step, 3.68965 hours remaining, 206.054688 MB of memory in use. ENERGY: 360800 729.3211 2080.3807 1982.1832 119.1666 -206041.0119 17650.7672 0.0000 0.0000 34078.1243 -149401.0689 297.6127 -183479.1932 -149296.1567 298.8757 -48.5303 -17.7443 555745.4759 6.7996 6.8939 PRESSURE: 361000 -152.771 175.433 -67.596 175.433 -94.7835 148.084 -67.5958 148.086 -147.155 GPRESSURE: 361000 -94.0089 182.193 -16.7147 184.835 -46.0392 261.374 -132.042 92.6707 -161.106 PRESSAVG: 361000 31.2414 16.8681 -48.7741 16.8681 55.2468 19.4738 -48.7741 19.4739 -80.6481 GPRESSAVG: 361000 30.6155 16.2248 -48.7615 19.1807 56.124 16.8838 -50.9146 21.5553 -80.7987 TIMING: 361000 CPU: 1042.72, 0.00286885/step Wall: 1042.72, 0.00286885/step, 3.69684 hours remaining, 206.253906 MB of memory in use. ENERGY: 361000 755.5983 2111.9665 1946.6856 117.4091 -206309.1671 17698.8724 0.0000 0.0000 34141.4092 -149537.2260 298.1654 -183678.6352 -149437.3324 297.9322 -131.5698 -100.3847 555913.3541 1.9467 1.9803 PRESSURE: 361200 -62.798 -172.097 -163.514 -172.098 -211.282 82.3639 -163.515 82.3636 -422.75 GPRESSURE: 361200 -46.1554 -169.921 -198.807 -67.3338 -209.86 38.7227 -185.961 59.5327 -347.539 PRESSAVG: 361200 3.55391 26.3344 -24.1042 26.3343 -16.331 -11.816 -24.1042 -11.816 0.753147 GPRESSAVG: 361200 3.96629 27.0843 -23.7909 25.4684 -16.316 -12.7871 -23.5413 -12.0732 0.46617 TIMING: 361200 CPU: 1043.3, 0.00287948/step Wall: 1043.3, 0.00287948/step, 3.71037 hours remaining, 206.253906 MB of memory in use. ENERGY: 361200 770.9276 2138.9866 1935.2888 121.2827 -206524.7665 17675.7908 0.0000 0.0000 34082.1337 -149800.3564 297.6478 -183882.4901 -149708.3729 297.5213 -232.2766 -201.1847 558990.3754 -4.0080 -3.9612 PRESSURE: 361400 -129.244 6.20473 -61.9798 6.20475 -30.8599 -55.3103 -61.9798 -55.3117 -111.603 GPRESSURE: 361400 -96.2095 -21.0919 -139.263 122.508 -73.5658 -57.3016 30.8159 -79.019 -3.18191 PRESSAVG: 361400 -14.5435 -15.4942 20.4974 -15.4943 56.6772 -8.68507 20.4974 -8.68518 -65.2294 GPRESSAVG: 361400 -14.933 -17.1468 21.0188 -15.1417 55.9881 -8.04511 20.1999 -8.88034 -64.3724 TIMING: 361400 CPU: 1043.87, 0.00286685/step Wall: 1043.87, 0.00286685/step, 3.69394 hours remaining, 206.253906 MB of memory in use. ENERGY: 361400 775.6225 2069.8593 1940.3170 112.1895 -206645.3497 17965.3845 0.0000 0.0000 34105.5793 -149676.3977 297.8525 -183781.9770 -149583.5274 297.8884 -90.5690 -57.6524 557116.9541 -7.6986 -7.7724 PRESSURE: 361600 -192.942 -54.945 136.321 -54.9452 -38.6235 96.6811 136.322 96.6809 22.7998 GPRESSURE: 361600 -160.439 -39.3563 171.151 -5.84867 -35.8407 110.037 163.83 75.5311 90.6618 PRESSAVG: 361600 -9.71373 -29.1027 -43.4161 -29.1028 -51.453 13.4959 -43.4161 13.4959 34.1285 GPRESSAVG: 361600 -10.0646 -26.223 -43.8624 -30.6414 -50.8637 13.307 -44.1803 13.8828 34.1636 TIMING: 361600 CPU: 1044.45, 0.00290348/step Wall: 1044.45, 0.00290348/step, 3.74097 hours remaining, 206.253906 MB of memory in use. ENERGY: 361600 750.5928 2060.4503 1929.7135 107.7203 -206193.1151 17754.8111 0.0000 0.0000 34031.1056 -149558.7215 297.2021 -183589.8271 -149459.0142 298.0021 -69.5886 -35.2061 556380.0779 -9.0128 -8.9215 PRESSURE: 361800 107.257 -10.4209 79.3175 -10.4213 255.993 152.55 79.3173 152.55 -21.7548 GPRESSURE: 361800 147.148 20.3031 63.1071 -3.17495 271.857 61.262 132.232 160.873 8.61218 PRESSAVG: 361800 -3.79958 20.5618 1.48992 20.5619 -31.0835 1.71318 1.48988 1.71314 40.469 GPRESSAVG: 361800 -2.6397 17.1134 1.42207 20.4945 -31.2815 1.96623 2.29821 2.59541 39.1403 TIMING: 361800 CPU: 1045.03, 0.00289749/step Wall: 1045.03, 0.00289749/step, 3.73309 hours remaining, 206.253906 MB of memory in use. ENERGY: 361800 698.7660 2096.4017 1947.9590 126.5573 -206401.4861 17908.4595 0.0000 0.0000 33958.6822 -149664.6604 296.5696 -183623.3425 -149559.5866 297.6904 113.8319 142.5390 556516.9642 1.8620 1.7397 PRESSURE: 362000 -189.158 34.9603 27.282 34.9602 -51.9619 108.112 27.2815 108.111 13.7273 GPRESSURE: 362000 -139.13 2.8806 121.02 111.15 -43.4253 212.263 -6.72417 54.2772 52.8022 PRESSAVG: 362000 14.2501 50.4255 26.3672 50.4254 -31.6872 39.0421 26.3671 39.0421 30.5037 GPRESSAVG: 362000 13.2503 52.7948 26.9487 52.2895 -31.3973 39.9511 24.375 35.7615 31.9415 TIMING: 362000 CPU: 1045.61, 0.00290198/step Wall: 1045.61, 0.00290198/step, 3.73872 hours remaining, 206.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 362000 774.6683 2081.1768 1954.9002 102.9702 -206437.3277 17813.8384 0.0000 0.0000 34100.1463 -149609.6275 297.8051 -183709.7738 -149521.0677 297.4162 -75.7976 -43.2510 557085.8632 4.3556 4.5982 PRESSURE: 362200 41.8062 120.361 7.62415 120.36 -195.204 -17.9269 7.62445 -17.928 84.6956 GPRESSURE: 362200 25.9414 103.969 -4.78513 63.0809 -71.7063 -17.485 -5.49163 41.1917 90.39 PRESSAVG: 362200 -24.4471 69.7284 -49.2777 69.7284 -6.59338 6.29426 -49.2777 6.29418 30.4014 GPRESSAVG: 362200 -24.3772 69.3098 -49.1362 68.8838 -7.34314 5.86811 -49.6651 8.9705 30.5153 TIMING: 362200 CPU: 1046.18, 0.00286278/step Wall: 1046.18, 0.00286278/step, 3.68806 hours remaining, 206.253906 MB of memory in use. ENERGY: 362200 704.7290 2130.0527 1933.5649 116.6673 -206531.6600 17884.4305 0.0000 0.0000 34319.3498 -149442.8657 299.7194 -183762.2155 -149353.0674 297.5539 -22.9007 14.8750 557907.8977 -0.2130 -0.4017 PRESSURE: 362400 12.2466 -111.564 89.5557 -111.565 -28.9566 88.3778 89.5575 88.3791 86.1332 GPRESSURE: 362400 -12.1166 -97.9404 26.057 -55.3463 57.587 44.6141 37.5409 65.2536 121.807 PRESSAVG: 362400 -37.7964 58.4069 1.35028 58.4069 15.0396 31.6333 1.35027 31.6334 27.5279 GPRESSAVG: 362400 -36.1685 59.0831 -0.772828 59.119 14.7395 32.7089 3.36041 32.1537 26.1946 TIMING: 362400 CPU: 1046.76, 0.00285836/step Wall: 1046.76, 0.00285836/step, 3.6822 hours remaining, 206.253906 MB of memory in use. ENERGY: 362400 713.1861 2051.9405 1957.0949 107.9939 -206274.7136 17979.9883 0.0000 0.0000 34080.7900 -149383.7198 297.6360 -183464.5098 -149280.0911 298.8203 23.1411 55.7590 557257.4754 1.5904 1.5885 PRESSURE: 362600 112.618 -99.6345 -102.752 -99.6338 -27.4947 -13.6394 -102.749 -13.6399 47.473 GPRESSURE: 362600 107.656 -124.388 -25.1273 -149.289 -5.33224 -66.9188 -109.858 -10.7821 126.327 PRESSAVG: 362600 24.0629 -3.47032 36.7352 -3.47028 32.7405 51.2685 36.7351 51.2684 -37.7536 GPRESSAVG: 362600 24.0601 -4.59911 38.0093 -3.84174 32.9983 50.9572 38.5784 50.6274 -38.0662 TIMING: 362600 CPU: 1047.33, 0.00285509/step Wall: 1047.33, 0.00285509/step, 3.67783 hours remaining, 206.253906 MB of memory in use. ENERGY: 362600 736.6185 2048.9637 1943.2263 111.7793 -206546.3245 18054.0168 0.0000 0.0000 34227.7852 -149423.9346 298.9198 -183651.7198 -149327.5438 298.9460 44.1989 76.2171 558105.2455 6.3499 6.3308 PRESSURE: 362800 -108.329 22.6231 64.623 22.6243 -169.496 -24.0848 64.6223 -24.0857 -186.225 GPRESSURE: 362800 -9.25032 -68.6554 192.235 -3.28961 -209.925 12.8438 2.70932 -43.7874 -134.115 PRESSAVG: 362800 71.6573 43.7483 -22.7128 43.7483 -35.6539 61.1624 -22.7128 61.1624 -46.8663 GPRESSAVG: 362800 72.8593 43.3443 -22.5728 43.0735 -36.5293 62.0372 -24.6961 60.8645 -47.741 TIMING: 362800 CPU: 1047.9, 0.00287254/step Wall: 1047.9, 0.00287254/step, 3.70015 hours remaining, 206.253906 MB of memory in use. ENERGY: 362800 693.1038 2061.9384 1955.0616 106.7001 -205833.8168 17466.7846 0.0000 0.0000 34121.3327 -149428.8956 297.9901 -183550.2283 -149331.5296 298.5352 -154.6834 -117.7634 558019.6650 -3.6210 -3.8037 PRESSURE: 363000 96.9538 39.752 -144.208 39.7521 -212.816 -19.3374 -144.208 -19.3367 -100.127 GPRESSURE: 363000 120.931 83.81 -154.375 24.3264 -127.669 -2.05467 -154.379 -22.6681 -111.744 PRESSAVG: 363000 51.3786 5.68783 -65.5041 5.68788 -35.2972 -20.7764 -65.5042 -20.7764 -5.12583 GPRESSAVG: 363000 50.4079 6.24992 -66.081 6.03237 -34.8854 -22.1621 -63.8305 -18.7211 -4.68319 TIMING: 363000 CPU: 1048.47, 0.00285779/step Wall: 1048.47, 0.00285779/step, 3.68099 hours remaining, 206.253906 MB of memory in use. ENERGY: 363000 744.8797 2090.0853 1959.4265 115.7337 -206251.9496 17762.4283 0.0000 0.0000 34076.2775 -149503.1185 297.5966 -183579.3960 -149402.1491 298.2604 -71.9962 -39.4937 557038.2794 3.6519 3.6131 PRESSURE: 363200 -201.631 8.42351 -132.554 8.42272 63.93 150.018 -132.555 150.019 47.0389 GPRESSURE: 363200 -127.02 -85.448 -181.865 -13.1221 46.121 133.229 -74.4929 158.8 68.3784 PRESSAVG: 363200 1.56401 -93.3234 -32.035 -93.3233 -33.3246 -26.0486 -32.0349 -26.0487 -3.43093 GPRESSAVG: 363200 0.363058 -92.7813 -32.7329 -92.4029 -32.5262 -25.8259 -33.2215 -27.2992 -2.64698 TIMING: 363200 CPU: 1049.05, 0.00286627/step Wall: 1049.05, 0.00286627/step, 3.69175 hours remaining, 206.253906 MB of memory in use. ENERGY: 363200 705.4883 2105.8368 1922.5207 119.8571 -206246.7225 17746.7189 0.0000 0.0000 34053.5155 -149592.7853 297.3978 -183646.3008 -149495.0267 297.4350 -30.2206 -4.1736 557268.0193 -11.7305 -11.6034 PRESSURE: 363400 -297.195 -128.185 14.575 -128.185 154.328 56.8212 14.5756 56.8211 -1.73354 GPRESSURE: 363400 -225.782 -162.305 -27.1681 -108.136 203.856 109.447 77.8815 37.9522 -30.728 PRESSAVG: 363400 -15.6351 -9.79842 -3.06844 -9.79839 -16.546 -5.29769 -3.06845 -5.2976 15.658 GPRESSAVG: 363400 -15.3713 -10.8876 -1.08885 -10.8747 -15.971 -3.63973 -3.57411 -6.51833 14.5732 TIMING: 363400 CPU: 1049.62, 0.00287819/step Wall: 1049.62, 0.00287819/step, 3.70695 hours remaining, 206.253906 MB of memory in use. ENERGY: 363400 795.3920 2064.7959 1911.3397 102.9494 -206503.5440 17982.2678 0.0000 0.0000 34112.1120 -149534.6873 297.9096 -183646.7993 -149443.9118 298.4502 -48.2001 -17.5514 558108.1166 -5.5077 -5.5897 PRESSURE: 363600 -50.875 37.7592 -30.0087 37.7613 -52.6067 106.645 -30.0086 106.644 64.4402 GPRESSURE: 363600 -35.644 10.2702 41.4082 -12.2214 -32.1458 187.785 -73.1079 188.832 136.873 PRESSAVG: 363600 -42.6694 -40.1228 -47.3806 -40.1228 88.3203 0.138028 -47.3805 0.137988 -32.6074 GPRESSAVG: 363600 -42.527 -42.3011 -49.0636 -38.9033 87.1429 -0.808229 -46.355 2.65422 -31.901 TIMING: 363600 CPU: 1050.2, 0.00288832/step Wall: 1050.2, 0.00288832/step, 3.71984 hours remaining, 206.253906 MB of memory in use. ENERGY: 363600 766.1309 2017.3036 1930.1762 111.2733 -206258.5684 17847.2023 0.0000 0.0000 34084.2636 -149502.2184 297.6664 -183586.4820 -149400.3118 298.3021 -13.0138 23.0278 557333.3556 4.3478 4.2383 PRESSURE: 363800 -22.1859 126.595 100.238 126.595 40.2708 -11.5914 100.237 -11.5919 15.3937 GPRESSURE: 363800 86.7959 107.988 138.56 95.4163 68.7239 -25.6175 176.467 52.2743 -29.1346 PRESSAVG: 363800 23.0517 -17.6545 18.9699 -17.6546 15.8373 28.3636 18.9698 28.3637 7.33389 GPRESSAVG: 363800 23.645 -14.3487 17.3715 -19.0547 16.2115 27.4992 19.4841 29.1835 6.34429 TIMING: 363800 CPU: 1050.78, 0.00289182/step Wall: 1050.78, 0.00289181/step, 3.72418 hours remaining, 206.253906 MB of memory in use. ENERGY: 363800 729.5958 2087.0339 1920.8725 108.6751 -206724.3870 17995.1538 0.0000 0.0000 34343.2111 -149539.8448 299.9278 -183883.0560 -149441.9224 298.2243 11.1595 42.1284 556708.2121 15.4076 15.4002 PRESSURE: 364000 43.7898 3.12012 101.45 3.11927 -129.151 29.8439 101.452 29.8422 69.1847 GPRESSURE: 364000 62.5953 -89.6646 98.2879 21.7124 -87.8517 39.5314 121.739 3.48974 95.0964 PRESSAVG: 364000 43.9544 -19.397 -18.1908 -19.397 19.174 23.637 -18.1907 23.6371 -73.5742 GPRESSAVG: 364000 43.4734 -18.8913 -14.7328 -20.5753 19.4571 24.5166 -19.8185 20.4495 -73.4664 TIMING: 364000 CPU: 1051.35, 0.00286182/step Wall: 1051.35, 0.00286182/step, 3.68539 hours remaining, 206.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 364000 755.8712 2028.5280 1928.4651 127.4788 -206188.4156 17936.6423 0.0000 0.0000 34006.0456 -149405.3845 296.9833 -183411.4301 -149315.9703 298.3578 -5.3921 23.2800 556951.4427 -3.4820 -3.5120 PRESSURE: 364200 -131.509 59.6371 -17.7108 59.6368 -40.8988 86.3748 -17.7104 86.3744 -59.3116 GPRESSURE: 364200 -123.826 60.1257 -76.9305 73.4642 13.4345 208.143 -39.5275 -18.827 -25.7799 PRESSAVG: 364200 -8.71222 25.6885 -32.4556 25.6886 35.5545 -35.6129 -32.4556 -35.6129 -43.9647 GPRESSAVG: 364200 -8.24756 24.6372 -31.5614 27.2681 35.7737 -36.4697 -34.046 -34.2127 -44.5805 TIMING: 364200 CPU: 1051.93, 0.00288134/step Wall: 1051.93, 0.00288134/step, 3.71037 hours remaining, 206.253906 MB of memory in use. ENERGY: 364200 710.7341 2072.1782 1941.3280 103.2199 -206035.3229 17882.1558 0.0000 0.0000 33889.7073 -149435.9996 295.9672 -183325.7069 -149337.5216 297.4050 -77.2400 -45.3904 558724.1958 -5.7075 -5.6848 LDB: ============= START OF LOAD BALANCING ============== 1055.31 LDB: ============== END OF LOAD BALANCING =============== 1055.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1055.31 LDB: ============= START OF LOAD BALANCING ============== 1055.6 LDB: Largest compute 4822 load 0.025848 is 21.9% of average load 0.117861 LDB: Average compute 0.001715 is 1.5% of average load 0.117861 LDB: TIME 1055.61 LOAD: AVG 0.117861 MAX 0.180401 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.543 MB LDB: TIME 1055.61 LOAD: AVG 0.117861 MAX 0.180401 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.543 MB LDB: TIME 1055.61 LOAD: AVG 0.117861 MAX 0.180401 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.543 MB LDB: ============== END OF LOAD BALANCING =============== 1055.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1055.61 PRESSURE: 364400 -72.3904 -90.53 23.9251 -90.5301 173.667 -85.9088 23.9247 -85.9107 133.597 GPRESSURE: 364400 -9.75171 -61.7644 3.16794 -32.4754 176.721 -20.1057 113.115 40.9572 165.336 PRESSAVG: 364400 -12.1964 1.78341 10.9567 1.78342 0.187794 -20.1782 10.9568 -20.1782 21.0428 GPRESSAVG: 364400 -13.3409 0.857114 9.09956 4.61403 0.0739456 -20.1282 14.3833 -20.018 21.3586 TIMING: 364400 CPU: 1052.52, 0.00295386/step Wall: 1052.52, 0.00295386/step, 3.80359 hours remaining, 206.570312 MB of memory in use. ENERGY: 364400 771.5323 2116.1073 1961.7414 117.5021 -206602.2261 18020.9194 0.0000 0.0000 34033.7175 -149580.7061 297.2249 -183614.4236 -149476.6587 298.1525 78.2913 110.7686 557584.8230 3.0114 2.6972 PRESSURE: 364600 -100.361 -66.5569 128.813 -66.5573 -29.2503 79.1394 128.815 79.1402 79.6938 GPRESSURE: 364600 -98.731 -7.4711 114.407 -103.306 14.2972 -33.3194 146.713 80.9086 143.419 PRESSAVG: 364600 18.395 45.5141 -28.664 45.5142 2.04841 -47.9225 -28.664 -47.9224 -15.5805 GPRESSAVG: 364600 18.3909 46.3848 -29.2886 43.2159 1.17949 -48.533 -29.8788 -47.7724 -14.4528 TIMING: 364600 CPU: 1053.1, 0.00289026/step Wall: 1053.1, 0.00289026/step, 3.72153 hours remaining, 206.570312 MB of memory in use. ENERGY: 364600 732.5727 2148.7863 1953.5492 110.9772 -206092.9340 17700.3922 0.0000 0.0000 34069.4373 -149377.2191 297.5369 -183446.6564 -149288.8049 298.1938 -16.6391 19.6617 558090.5103 1.6210 1.7059 PRESSURE: 364800 -140.135 -37.4209 107.5 -37.4211 182.682 94.4112 107.498 94.411 -229.642 GPRESSURE: 364800 -83.1962 -27.341 169.077 -116.051 184.421 154.686 103.553 70.3436 -189.156 PRESSAVG: 364800 -39.8427 -30.8404 -18.4639 -30.8405 50.2394 33.1007 -18.464 33.1006 12.3 GPRESSAVG: 364800 -38.3308 -31.5553 -16.9785 -31.2038 50.9369 35.5574 -18.7601 31.8359 9.79519 TIMING: 364800 CPU: 1053.67, 0.00288102/step Wall: 1053.67, 0.00288102/step, 3.70947 hours remaining, 206.570312 MB of memory in use. ENERGY: 364800 738.3511 2075.6639 1934.8234 108.2062 -206588.9184 17871.9309 0.0000 0.0000 34273.2498 -149586.6930 299.3168 -183859.9428 -149488.2096 298.2678 -62.3654 -29.3106 558542.4879 7.5656 7.4671 PRESSURE: 365000 93.6377 60.4982 -18.5624 60.4978 194.822 -177.55 -18.563 -177.55 -48.3352 GPRESSURE: 365000 144.493 13.8303 -1.12525 102.825 245.729 -138.924 33.7315 -222.832 -40.3954 PRESSAVG: 365000 3.43083 5.53616 29.1672 5.53626 67.9985 -53.5682 29.1672 -53.5681 -66.0357 GPRESSAVG: 365000 2.42326 4.06351 27.8878 8.48512 68.2039 -54.7909 28.3796 -51.4811 -65.4756 TIMING: 365000 CPU: 1054.25, 0.0028711/step Wall: 1054.25, 0.00287109/step, 3.69653 hours remaining, 206.570312 MB of memory in use. ENERGY: 365000 749.8734 2065.5312 1956.9253 114.2790 -206598.3694 17910.1290 0.0000 0.0000 34228.6582 -149572.9734 298.9274 -183801.6316 -149485.1138 298.4337 80.0414 116.6090 556282.8554 1.7979 1.7172 PRESSURE: 365200 -82.5281 120.898 154.728 120.9 -294.497 8.34784 154.728 8.34813 19.9967 GPRESSURE: 365200 -91.1786 133.552 128.17 100.791 -259.846 4.41055 173.009 -5.67175 108.402 PRESSAVG: 365200 -52.5117 -8.36583 47.7057 -8.36577 55.5575 -65.4589 47.7058 -65.4589 25.5225 GPRESSAVG: 365200 -51.864 -6.7734 47.9252 -12.1707 55.0006 -64.5186 49.7851 -67.6966 25.8065 TIMING: 365200 CPU: 1054.82, 0.00287161/step Wall: 1054.82, 0.00287161/step, 3.69703 hours remaining, 206.570312 MB of memory in use. ENERGY: 365200 727.1124 2021.2787 1932.8638 117.0170 -206305.1510 17769.4075 0.0000 0.0000 34407.7543 -149329.7172 300.4915 -183737.4715 -149230.6811 299.2135 -119.0095 -80.8744 558344.5233 9.5228 9.6477 PRESSURE: 365400 -126.988 -126.978 29.6566 -126.979 -90.4459 181.676 29.6553 181.675 -101.104 GPRESSURE: 365400 -107.083 -114.876 28.3324 -46.0545 -50.7095 133.268 35.96 160.577 -58.194 PRESSAVG: 365400 -56.0178 -29.8884 66.8643 -29.8884 -10.1908 35.5253 66.8643 35.5253 35.7019 GPRESSAVG: 365400 -57.3567 -28.6256 67.1221 -29.043 -10.3416 34.9355 65.5874 36.5769 37.1437 TIMING: 365400 CPU: 1055.39, 0.0028684/step Wall: 1055.39, 0.0028684/step, 3.69274 hours remaining, 206.570312 MB of memory in use. ENERGY: 365400 766.6685 2090.6056 1961.0080 109.8494 -206301.7523 17830.8660 0.0000 0.0000 34157.2952 -149385.4598 298.3042 -183542.7549 -149288.8193 299.4032 -106.1792 -71.9954 558189.2374 -10.1689 -10.1849 PRESSURE: 365600 105.379 57.9395 -66.8883 57.9388 263.352 -50.1701 -66.8883 -50.1707 119.952 GPRESSURE: 365600 151.395 64.3063 -124.998 112.944 248.885 -30.3783 -6.96799 -28.2902 194.378 PRESSAVG: 365600 1.91481 -18.4281 26.0378 -18.428 52.8611 0.859643 26.0378 0.85955 -56.6151 GPRESSAVG: 365600 3.20594 -20.5417 25.986 -16.2214 53.3762 0.423337 27.0994 0.980856 -58.5087 TIMING: 365600 CPU: 1055.97, 0.00288908/step Wall: 1055.97, 0.00288908/step, 3.71921 hours remaining, 206.570312 MB of memory in use. ENERGY: 365600 731.3211 2125.9928 1955.3862 119.3615 -206669.2152 18200.2862 0.0000 0.0000 34343.2226 -149193.6447 299.9279 -183536.8673 -149101.0852 298.8362 162.8943 198.2197 557067.1844 -0.6130 -0.6422 PRESSURE: 365800 -276.374 52.2559 24.64 52.2557 387.357 -84.1166 24.6393 -84.1155 22.2103 GPRESSURE: 365800 -205.019 38.431 -19.0608 -4.61702 388.821 -77.8674 -4.81856 -14.4974 48.9431 PRESSAVG: 365800 -30.2485 9.9683 12.5068 9.96832 54.5873 -7.89693 12.5069 -7.89694 -31.1654 GPRESSAVG: 365800 -30.518 11.5768 11.5878 7.62038 54.614 -9.45854 12.158 -8.24296 -30.9611 TIMING: 365800 CPU: 1056.55, 0.00287162/step Wall: 1056.55, 0.00287162/step, 3.69657 hours remaining, 206.570312 MB of memory in use. ENERGY: 365800 759.2966 2137.3288 1944.2619 111.9500 -206289.9216 18032.8310 0.0000 0.0000 34072.4022 -149231.8512 297.5628 -183304.2534 -149140.1667 298.9710 44.3978 77.5816 558708.5861 -2.2755 -2.2884 PRESSURE: 366000 61.261 104.231 -144.719 104.233 -109.124 -30.6797 -144.719 -30.6801 45.8291 GPRESSURE: 366000 66.7546 188.246 -140.2 46.6868 -63.5703 93.3356 -166.836 -98.1827 103.184 PRESSAVG: 366000 -4.61675 -17.5882 10.418 -17.5881 31.2684 28.9162 10.4181 28.9162 -30.7371 GPRESSAVG: 366000 -3.66965 -18.7925 11.5537 -16.4212 31.3027 31.1278 9.58221 27.9817 -31.0414 TIMING: 366000 CPU: 1057.12, 0.0028792/step Wall: 1057.12, 0.0028792/step, 3.70617 hours remaining, 206.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 366000 753.6561 2088.8306 1921.3753 114.6547 -206206.9467 17903.0098 0.0000 0.0000 34236.1694 -149189.2508 298.9930 -183425.4202 -149098.0340 299.3202 -0.6779 35.4561 559921.4457 -1.3618 -1.1361 PRESSURE: 366200 -47.1075 44.2188 47.2821 44.2185 -88.0049 -143.688 47.2819 -143.686 231.895 GPRESSURE: 366200 31.0145 62.3183 22.9642 63.6381 -104.814 -115.047 45.4941 -143.695 255.356 PRESSAVG: 366200 -68.9425 33.452 27.8827 33.452 6.3693 24.4261 27.8827 24.4262 48.5279 GPRESSAVG: 366200 -68.714 35.9993 29.1297 32.0617 6.06641 23.0408 26.2949 26.0517 48.7201 TIMING: 366200 CPU: 1057.7, 0.00287923/step Wall: 1057.7, 0.00287923/step, 3.70605 hours remaining, 206.570312 MB of memory in use. ENERGY: 366200 772.7917 2101.5899 1941.9319 123.6463 -206269.5445 17793.1408 0.0000 0.0000 34370.6265 -149165.8173 300.1672 -183536.4438 -149067.6241 299.0665 32.2607 60.5188 557077.3603 -4.6818 -4.6425 PRESSURE: 366400 -151.557 43.445 -51.6615 43.4438 47.0331 18.3698 -51.6611 18.37 -180.652 GPRESSURE: 366400 -87.1357 76.6592 -47.4357 22.7931 104.271 21.0053 -60.048 58.9724 -204.982 PRESSAVG: 366400 -30.5047 -5.49188 -40.9911 -5.49188 44.5037 50.0619 -40.9909 50.0619 -45.9363 GPRESSAVG: 366400 -31.3956 -6.18779 -42.7547 -2.95531 45.18 50.6492 -37.9279 50.603 -46.1644 TIMING: 366400 CPU: 1058.27, 0.00287011/step Wall: 1058.27, 0.00287011/step, 3.69415 hours remaining, 206.570312 MB of memory in use. ENERGY: 366400 718.3906 2074.7747 1923.9648 110.3111 -206178.9907 17728.8021 0.0000 0.0000 34337.5444 -149285.2030 299.8783 -183622.7474 -149181.8159 299.4266 -95.0589 -62.6156 557051.3000 -10.6458 -10.7933 PRESSURE: 366600 -346.352 -18.6652 -185.078 -18.6644 -33.5066 51.3793 -185.08 51.38 91.6343 GPRESSURE: 366600 -272.049 -86.8901 -125.443 3.95993 -28.5511 100.9 -126.169 4.92765 111.155 PRESSAVG: 366600 8.12573 2.36598 18.755 2.36592 -10.6282 -23.5252 18.755 -23.5253 21.8124 GPRESSAVG: 366600 8.50984 2.52379 17.7681 0.198001 -12.0498 -24.8436 16.8365 -24.6642 23.1388 TIMING: 366600 CPU: 1058.85, 0.00287804/step Wall: 1058.85, 0.00287804/step, 3.7042 hours remaining, 206.570312 MB of memory in use. ENERGY: 366600 759.5717 2045.1314 1940.5487 110.9625 -206121.8874 17751.8832 0.0000 0.0000 34002.6422 -149511.1478 296.9535 -183513.7900 -149422.6709 298.9339 -96.0746 -63.1482 558415.1155 6.4366 6.5329 PRESSURE: 366800 33.3376 106.687 36.3821 106.688 183.354 116.855 36.3808 116.855 -167.518 GPRESSURE: 366800 25.4739 20.9211 45.0338 133.016 239.79 63.2276 64.7332 115.9 -127.167 PRESSAVG: 366800 24.1237 -7.52882 9.27651 -7.52872 21.0312 51.6762 9.27653 51.6762 18.2691 GPRESSAVG: 366800 24.9398 -8.74844 10.6624 -5.86844 23.0851 53.8518 10.8085 50.6238 15.8796 TIMING: 366800 CPU: 1059.42, 0.00287562/step Wall: 1059.42, 0.00287562/step, 3.70092 hours remaining, 206.570312 MB of memory in use. ENERGY: 366800 764.9803 2072.0433 1952.7075 107.7842 -206382.7866 17983.1433 0.0000 0.0000 34016.8356 -149485.2925 297.0775 -183502.1281 -149389.4830 298.4542 16.3909 46.0322 557788.5150 21.1413 21.3015 PRESSURE: 367000 158.736 222.526 154.559 222.527 15.9515 -37.9523 154.559 -37.9533 -24.3825 GPRESSURE: 367000 204.417 236.816 135.075 188.811 3.87761 -5.84689 108.91 -58.7509 38.8998 PRESSAVG: 367000 89.3071 -17.6693 29.9286 -17.6693 -31.1799 70.668 29.9286 70.668 -65.1717 GPRESSAVG: 367000 88.3997 -18.0284 30.9254 -17.6647 -31.6961 68.3754 28.5415 72.5102 -63.402 TIMING: 367000 CPU: 1059.99, 0.00285332/step Wall: 1059.99, 0.00285332/step, 3.67207 hours remaining, 206.570312 MB of memory in use. ENERGY: 367000 729.2493 2092.5596 1957.6802 106.7836 -206173.5654 17869.2303 0.0000 0.0000 34210.7301 -149207.3322 298.7708 -183418.0623 -149106.4395 298.5365 50.1016 82.3981 558077.8548 -2.3482 -2.2328 PRESSURE: 367200 30.5345 -48.1943 80.7181 -48.194 33.3064 -58.3465 80.7182 -58.3464 -142.723 GPRESSURE: 367200 61.0448 -15.9729 148.223 -29.7042 41.5472 47.4918 64.3361 -6.42083 -98.4721 PRESSAVG: 367200 74.9535 -9.05297 -22.2754 -9.05301 7.05314 22.6886 -22.2753 22.6886 -45.7745 GPRESSAVG: 367200 75.7743 -8.79028 -24.0097 -10.2491 5.74663 22.8636 -21.9631 22.5837 -45.8098 TIMING: 367200 CPU: 1060.57, 0.00287753/step Wall: 1060.57, 0.00287753/step, 3.70306 hours remaining, 206.570312 MB of memory in use. ENERGY: 367200 729.3381 2138.1845 1927.2648 111.4324 -206046.0422 17660.9272 0.0000 0.0000 34143.7589 -149335.1363 298.1859 -183478.8952 -149246.0878 298.2682 -26.2939 1.3733 558166.8106 12.0774 11.9037 PRESSURE: 367400 51.0351 -153.943 -26.5611 -153.943 92.7177 -32.4732 -26.5607 -32.4738 114.34 GPRESSURE: 367400 109.918 -124.87 -132.076 -160.183 91.2246 -44.4058 124.247 3.69154 157.416 PRESSAVG: 367400 -12.9882 -67.5736 16.8542 -67.5735 -19.1514 -2.2614 16.8543 -2.26143 42.7071 GPRESSAVG: 367400 -13.4622 -68.1942 17.9531 -66.1026 -18.3575 -1.63415 17.1553 -1.94378 42.9409 TIMING: 367400 CPU: 1061.15, 0.00288957/step Wall: 1061.15, 0.00288957/step, 3.7184 hours remaining, 206.570312 MB of memory in use. ENERGY: 367400 772.4905 2058.8927 1928.9320 113.7295 -206566.4879 18078.7252 0.0000 0.0000 34202.4869 -149411.2310 298.6988 -183613.7179 -149312.6535 298.3310 86.0309 119.5197 557321.0344 3.5225 3.7071 PRESSURE: 367600 28.3582 152.553 -33.5407 152.552 128.86 -39.437 -33.5408 -39.4358 -85.5805 GPRESSURE: 367600 36.4059 100.283 -98.0995 69.562 140.55 -52.9147 -13.4264 -71.3887 -15.5457 PRESSAVG: 367600 -101.059 -69.2519 -0.214076 -69.2519 19.8664 -54.9363 -0.214191 -54.9363 25.4062 GPRESSAVG: 367600 -100.178 -68.3465 -0.553717 -71.3412 19.6316 -53.0758 -0.811094 -55.3835 24.9221 TIMING: 367600 CPU: 1061.72, 0.00288014/step Wall: 1061.72, 0.00288014/step, 3.70611 hours remaining, 206.570312 MB of memory in use. ENERGY: 367600 763.9122 2111.3923 1935.1664 125.3152 -206545.5939 17919.4228 0.0000 0.0000 34356.2264 -149334.1585 300.0415 -183690.3849 -149237.3433 298.2449 23.8794 53.8033 556256.2506 -18.5956 -18.5414 PRESSURE: 367800 11.8281 -37.1564 -24.4735 -37.1577 -137.462 13.6127 -24.475 13.6117 -281.646 GPRESSURE: 367800 42.4968 -50.5849 -87.3051 -86.661 -137.052 -34.1311 -12.2535 109.633 -194.518 PRESSAVG: 367800 53.2378 -53.7527 -48.2099 -53.7528 -8.9977 -21.9714 -48.21 -21.9715 5.67971 GPRESSAVG: 367800 52.1551 -51.836 -49.2725 -53.4941 -8.98415 -24.357 -46.1347 -19.8532 6.44117 TIMING: 367800 CPU: 1062.3, 0.00287198/step Wall: 1062.3, 0.00287198/step, 3.69544 hours remaining, 206.570312 MB of memory in use. ENERGY: 367800 730.8697 2099.9352 1929.2155 131.8989 -206068.8701 17810.2465 0.0000 0.0000 33968.4297 -149398.2745 296.6547 -183366.7042 -149302.3173 298.6362 -135.7599 -96.3579 558561.7267 16.6399 16.5374 PRESSURE: 368000 51.9005 171.886 141.989 171.885 303.439 56.0592 141.989 56.0585 -11.0259 GPRESSURE: 368000 62.9257 203.341 172.786 110.922 351.331 48.0482 120.866 8.11959 26.9209 PRESSAVG: 368000 30.9733 -1.85324 24.3108 -1.8532 -38.2815 28.1535 24.3108 28.1535 2.34954 GPRESSAVG: 368000 30.9344 -3.34839 25.7623 -3.64258 -37.5492 29.9282 23.9173 26.8454 1.3691 TIMING: 368000 CPU: 1062.87, 0.00286628/step Wall: 1062.87, 0.00286628/step, 3.68795 hours remaining, 206.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 368000 735.4272 2140.1679 1938.3316 108.9427 -206454.4679 18011.1885 0.0000 0.0000 34041.9553 -149478.4546 297.2969 -183520.4100 -149372.1173 297.8603 114.7712 147.0592 559124.3701 -1.6529 -1.7486 PRESSURE: 368200 75.3512 199.061 228.006 199.059 -190.085 -68.9585 228.006 -68.9573 115.03 GPRESSURE: 368200 71.4987 239.191 188.995 198.638 -123.326 -124.145 275.841 -91.2276 143.135 PRESSAVG: 368200 27.1124 -28.2134 54.4888 -28.2134 9.8417 28.0066 54.489 28.0066 1.55586 GPRESSAVG: 368200 26.9598 -29.1561 53.7423 -26.9673 8.68731 25.2185 54.3918 28.6338 2.45459 TIMING: 368200 CPU: 1063.45, 0.00287885/step Wall: 1063.45, 0.00287885/step, 3.70397 hours remaining, 206.570312 MB of memory in use. ENERGY: 368200 780.6833 2124.9850 1908.3296 115.2837 -206631.8701 18130.5455 0.0000 0.0000 34036.9367 -149535.1064 297.2530 -183572.0431 -149443.1864 297.9127 0.0988 30.4359 558708.6552 12.8366 12.7006 LDB: ============= START OF LOAD BALANCING ============== 1066.83 LDB: ============== END OF LOAD BALANCING =============== 1066.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1066.83 LDB: ============= START OF LOAD BALANCING ============== 1067.12 LDB: Largest compute 4822 load 0.025748 is 21.8% of average load 0.117942 LDB: Average compute 0.001717 is 1.5% of average load 0.117942 LDB: TIME 1067.13 LOAD: AVG 0.117942 MAX 0.179779 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.875 MB LDB: TIME 1067.13 LOAD: AVG 0.117942 MAX 0.179779 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.875 MB LDB: TIME 1067.13 LOAD: AVG 0.117942 MAX 0.179779 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1067.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1067.13 PRESSURE: 368400 -24.1161 27.4659 79.211 27.4657 -59.217 41.9476 79.2106 41.9468 -350.605 GPRESSURE: 368400 -36.295 69.3433 46.9401 64.0532 -8.72515 146.548 0.991684 -8.59985 -296.062 PRESSAVG: 368400 20.617 37.5966 33.6377 37.5965 -39.4158 64.7903 33.6377 64.7904 34.3153 GPRESSAVG: 368400 22.0485 37.3798 34.7629 38.6367 -39.9107 64.4694 32.7593 62.5689 32.9755 TIMING: 368400 CPU: 1064.04, 0.00295606/step Wall: 1064.04, 0.00295606/step, 3.80314 hours remaining, 207.863281 MB of memory in use. ENERGY: 368400 748.0231 2062.2587 1951.0952 112.5755 -205963.9649 17460.9344 0.0000 0.0000 34285.7717 -149343.3063 299.4262 -183629.0780 -149241.4711 298.4987 -144.6459 -113.6941 559078.0565 5.1722 5.0378 PRESSURE: 368600 -96.1995 2.49793 165.088 2.49801 -72.9571 120.041 165.09 120.042 5.56226 GPRESSURE: 368600 -43.9455 38.2141 134.656 -27.2599 -83.5173 218.048 173.43 -19.6699 67.9093 PRESSAVG: 368600 -9.49859 0.544256 16.2053 0.544207 -16.0867 26.0787 16.2052 26.0787 25.2802 GPRESSAVG: 368600 -9.70038 -0.0469395 14.9295 -0.302378 -15.5586 27.4311 17.2698 24.9495 25.7162 TIMING: 368600 CPU: 1064.61, 0.00288196/step Wall: 1064.61, 0.00288196/step, 3.70764 hours remaining, 207.863281 MB of memory in use. ENERGY: 368600 719.1667 2130.2272 1936.3266 106.0371 -206353.6911 17922.6106 0.0000 0.0000 34187.0376 -149352.2853 298.5639 -183539.3228 -149261.2976 299.1290 -54.5315 -19.8512 559508.5879 -0.1017 0.1524 PRESSURE: 368800 -228.191 -30.6029 -43.2004 -30.6028 -3.19262 181.694 -43.2011 181.693 -302.357 GPRESSURE: 368800 -117.868 -31.0963 -54.3307 -55.9239 0.475221 99.463 -85.9817 159.869 -313.838 PRESSAVG: 368800 21.5978 25.3322 2.76451 25.3322 -58.965 -55.2445 2.76447 -55.2445 24.2044 GPRESSAVG: 368800 20.2928 27.6454 5.10892 23.5359 -59.3893 -54.4996 1.70431 -53.7292 25.5047 TIMING: 368800 CPU: 1065.19, 0.00287526/step Wall: 1065.19, 0.00287526/step, 3.69886 hours remaining, 207.863281 MB of memory in use. ENERGY: 368800 726.5700 2086.5091 1920.6678 116.5958 -205856.1587 17610.3500 0.0000 0.0000 34089.9563 -149305.5097 297.7161 -183395.4659 -149213.7627 297.5661 -177.9135 -143.7436 560435.5392 -4.3876 -4.5306 PRESSURE: 369000 -123.382 184.217 75.7561 184.217 -114.992 -116.501 75.7545 -116.501 -72.585 GPRESSURE: 369000 -133.62 244.672 96.3389 177.243 -41.7993 -156.852 151.389 -57.6982 -30.7839 PRESSAVG: 369000 12.4489 5.36097 -53.7851 5.36095 9.89109 -0.551105 -53.7851 -0.551098 -39.1899 GPRESSAVG: 369000 13.318 3.64019 -55.4579 7.43594 10.9951 0.0756929 -52.9197 -1.20814 -40.9825 TIMING: 369000 CPU: 1065.76, 0.00287594/step Wall: 1065.76, 0.00287594/step, 3.69958 hours remaining, 207.863281 MB of memory in use. ENERGY: 369000 746.0697 2063.3229 1937.1001 104.3832 -205976.7427 17637.6312 0.0000 0.0000 34190.9473 -149297.2883 298.5980 -183488.2356 -149199.9769 298.1815 -103.6530 -68.7342 559538.8089 -5.6166 -5.5565 PRESSURE: 369200 -227.037 -48.7437 93.4267 -48.744 -82.4252 -31.6558 93.4263 -31.6567 -45.0778 GPRESSURE: 369200 -185.769 35.3475 116.298 -99.262 -65.0282 -102.476 37.8788 5.69656 -10.2886 PRESSAVG: 369200 -42.8982 3.18318 -31.1223 3.18332 66.6315 3.58076 -31.1222 3.58078 -26.8693 GPRESSAVG: 369200 -42.6802 4.11028 -30.5488 4.74684 65.3745 0.502934 -32.2031 5.3645 -25.9302 TIMING: 369200 CPU: 1066.34, 0.00289131/step Wall: 1066.34, 0.00289131/step, 3.71918 hours remaining, 207.863281 MB of memory in use. ENERGY: 369200 718.1896 2076.9593 1946.2828 114.0178 -206315.8480 17934.6073 0.0000 0.0000 34387.6386 -149138.1525 300.3158 -183525.7911 -149047.5799 298.5057 -118.1798 -87.0284 560431.5339 -1.0453 -1.0787 PRESSURE: 369400 -207.148 81.9616 125.925 81.9619 -199.967 77.5637 125.926 77.5632 -145.329 GPRESSURE: 369400 -222.764 13.533 126.526 53.9225 -190.179 71.1754 104.533 54.4797 -47.095 PRESSAVG: 369400 23.3124 -24.7993 -3.67832 -24.7994 -39.7047 0.145537 -3.67839 0.145564 81.4055 GPRESSAVG: 369400 23.158 -27.4978 -4.5749 -25.8733 -40.1108 1.73919 -4.20544 -1.4702 82.1978 TIMING: 369400 CPU: 1066.92, 0.00287655/step Wall: 1066.92, 0.00287655/step, 3.70005 hours remaining, 207.863281 MB of memory in use. ENERGY: 369400 760.6225 2115.8299 1934.2444 106.2808 -205679.5082 17675.3045 0.0000 0.0000 34037.2781 -149049.9481 297.2560 -183087.2262 -148958.7345 299.2963 -184.1478 -153.3459 557976.0760 21.6711 21.7483 PRESSURE: 369600 -86.5488 -227.933 -2.46998 -227.933 -169.679 -55.8884 -2.46899 -55.8885 -97.0131 GPRESSURE: 369600 -95.9477 -226.875 48.8397 -160.619 -118.499 -92.0185 11.0405 -21.2859 -40.9523 PRESSAVG: 369600 -20.3458 -69.1835 29.366 -69.1835 54.5164 -10.0573 29.366 -10.0572 -6.3003 GPRESSAVG: 369600 -19.7939 -67.197 30.9555 -68.3621 54.6922 -9.50976 30.1282 -10.4486 -6.35677 TIMING: 369600 CPU: 1067.49, 0.0028756/step Wall: 1067.49, 0.0028756/step, 3.69866 hours remaining, 207.863281 MB of memory in use. ENERGY: 369600 763.8054 2088.4548 1932.6784 126.6004 -205942.5658 17609.7424 0.0000 0.0000 34366.5806 -149054.7038 300.1319 -183421.2844 -148954.4219 299.7844 -117.7471 -85.1330 555710.2352 9.2901 9.5138 PRESSURE: 369800 90.7327 -81.9626 -157.691 -81.9633 58.3581 -103.076 -157.692 -103.077 187.304 GPRESSURE: 369800 123.694 -135.717 -197.96 -101.014 98.8988 -124.414 -44.9681 -111.294 221.07 PRESSAVG: 369800 57.344 -58.7269 -30.0855 -58.727 -4.96881 2.03149 -30.0855 2.03145 -60.3316 GPRESSAVG: 369800 56.5843 -58.7892 -30.7233 -60.3086 -5.2647 0.87165 -28.6451 3.05972 -59.338 TIMING: 369800 CPU: 1068.07, 0.00288528/step Wall: 1068.07, 0.00288528/step, 3.71096 hours remaining, 207.863281 MB of memory in use. ENERGY: 369800 729.6678 2058.9105 1944.3994 115.2457 -205901.2009 17913.9668 0.0000 0.0000 33985.9763 -149153.0344 296.8080 -183139.0107 -149051.3894 299.4344 112.1317 147.8875 557552.2298 -2.6522 -2.6728 PRESSURE: 370000 -293.285 -241.13 50.5607 -241.129 -55.7333 -140.052 50.5605 -140.054 -202.423 GPRESSURE: 370000 -256.234 -237.88 1.79978 -254.619 -47.4471 -156.033 36.0986 -154.037 -152.122 PRESSAVG: 370000 12.72 -5.59692 39.3837 -5.59698 10.6518 -34.3194 39.3837 -34.3196 -33.9784 GPRESSAVG: 370000 13.9751 -6.20151 38.8767 -2.67309 10.6847 -34.205 40.9189 -35.0404 -35.6041 TIMING: 370000 CPU: 1068.65, 0.00289747/step Wall: 1068.65, 0.00289747/step, 3.72647 hours remaining, 207.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 370000 783.6218 2135.9386 1926.2346 112.4900 -205912.8852 17574.9414 0.0000 0.0000 34240.5557 -149139.1030 299.0313 -183379.6587 -149045.0915 299.4048 -183.8139 -151.9345 558968.1777 -3.5355 -3.6481 PRESSURE: 370200 157.644 179.425 -140.926 179.425 -137.924 -25.2645 -140.926 -25.264 -1.158 GPRESSURE: 370200 194.889 254.531 -54.224 146.351 -150.26 17.4254 -120.751 14.0084 60.4695 PRESSAVG: 370200 35.9564 -1.37268 24.1891 -1.37266 12.9224 36.5757 24.1892 36.5757 -61.1012 GPRESSAVG: 370200 35.1987 0.659047 25.843 -3.57716 12.554 36.079 22.0717 36.1447 -60.0253 TIMING: 370200 CPU: 1069.23, 0.00288518/step Wall: 1069.23, 0.00288518/step, 3.71051 hours remaining, 207.863281 MB of memory in use. ENERGY: 370200 731.5030 2060.1798 1944.7049 110.3820 -206094.5684 17820.6196 0.0000 0.0000 34420.2711 -149006.9081 300.6008 -183427.1791 -148912.5187 300.0835 6.1874 35.0328 558439.9391 -4.0741 -4.0909 PRESSURE: 370400 -237.691 -45.4511 -78.5454 -45.4523 205.758 -103.767 -78.5443 -103.765 -230.34 GPRESSURE: 370400 -183.959 -55.0254 -51.6611 -110.357 247.173 -130.766 -66.9697 -134.266 -232.803 PRESSAVG: 370400 -4.86281 31.5349 18.2921 31.5348 79.8431 -12.9908 18.2921 -12.9908 -24.4139 GPRESSAVG: 370400 -4.95174 29.2986 16.9634 31.8487 79.8964 -12.5777 18.1124 -13.6727 -24.4875 TIMING: 370400 CPU: 1069.8, 0.00288205/step Wall: 1069.8, 0.00288205/step, 3.70632 hours remaining, 207.863281 MB of memory in use. ENERGY: 370400 753.0606 2109.9234 1957.8494 109.9529 -205876.1109 17679.3696 0.0000 0.0000 34342.3899 -148923.5652 299.9206 -183265.9551 -148821.2105 300.0171 -87.4242 -56.5298 557858.6316 16.8555 16.8191 PRESSURE: 370600 -21.1507 -63.5631 -34.7932 -63.5629 184.037 160.963 -34.7944 160.962 14.8829 GPRESSURE: 370600 -4.59912 4.18504 -190.221 -93.5353 222.702 107.91 -4.44857 162.412 61.715 PRESSAVG: 370600 6.1227 -19.6098 -48.8875 -19.6097 54.8212 -21.866 -48.8875 -21.8659 -68.5433 GPRESSAVG: 370600 5.66528 -17.93 -50.1525 -19.4447 55.1576 -19.1394 -48.0932 -21.6256 -68.9769 TIMING: 370600 CPU: 1070.38, 0.00287384/step Wall: 1070.38, 0.00287384/step, 3.6956 hours remaining, 207.863281 MB of memory in use. ENERGY: 370600 765.9991 2093.0446 1937.5805 112.4582 -206395.1231 18034.6454 0.0000 0.0000 34564.7178 -148886.6775 301.8623 -183451.3953 -148795.0942 300.3180 59.2565 93.2727 556776.0540 -2.5331 -2.7180 PRESSURE: 370800 -154.018 -51.9272 -43.3401 -51.927 -67.9977 -62.2283 -43.3408 -62.2287 -98.8568 GPRESSURE: 370800 -122.279 -47.9264 -45.2742 -6.58892 -16.9031 -48.87 17.3976 -40.3236 -90.9158 PRESSAVG: 370800 -13.0487 -26.6686 -36.1868 -26.6686 7.07295 -10.5904 -36.1868 -10.5904 -15.3794 GPRESSAVG: 370800 -12.3562 -27.0472 -34.6981 -24.3928 6.92991 -12.9331 -36.8582 -11.407 -16.679 TIMING: 370800 CPU: 1070.95, 0.00287087/step Wall: 1070.95, 0.00287087/step, 3.69163 hours remaining, 208.066406 MB of memory in use. ENERGY: 370800 728.3714 2100.0069 1945.1468 111.3298 -205660.7737 17488.6305 0.0000 0.0000 34317.6688 -148969.6195 299.7047 -183287.2883 -148869.9309 300.5982 -106.9577 -76.6994 558173.9486 -7.1184 -7.3684 PRESSURE: 371000 105.97 136.261 79.121 136.261 171.903 109.634 79.121 109.634 237.335 GPRESSURE: 371000 118.332 118.652 110.892 148.776 176.279 156.729 -3.0836 12.0113 320.341 PRESSAVG: 371000 13.591 25.8044 -11.1153 25.8044 22.1823 40.8732 -11.1153 40.8733 -17.1878 GPRESSAVG: 371000 12.6383 26.9957 -9.92615 24.0582 21.5308 41.4827 -11.5017 42.4894 -15.8966 TIMING: 371000 CPU: 1071.52, 0.00283969/step Wall: 1071.52, 0.00283969/step, 3.65137 hours remaining, 208.066406 MB of memory in use. ENERGY: 371000 769.1228 2154.5877 1948.3037 115.0122 -206512.5445 18182.1286 0.0000 0.0000 34220.7297 -149122.6599 298.8581 -183343.3896 -149026.8512 300.3076 171.7361 204.9839 557003.6098 6.1952 6.0909 PRESSURE: 371200 123.77 4.04319 167.613 4.04305 -184.762 -36.323 167.612 -36.3243 -49.967 GPRESSURE: 371200 36.9749 25.5536 166.359 -18.7733 -59.7302 -98.3472 99.3043 84.7486 10.3903 PRESSAVG: 371200 -5.4502 47.5356 -18.9633 47.5356 -4.84835 -17.9398 -18.9635 -17.9397 23.163 GPRESSAVG: 371200 -5.30989 48.2209 -18.7003 45.5487 -4.94531 -16.8266 -19.8426 -16.3006 22.6883 TIMING: 371200 CPU: 1072.09, 0.00285957/step Wall: 1072.09, 0.00285957/step, 3.67677 hours remaining, 208.066406 MB of memory in use. ENERGY: 371200 750.8136 2129.4773 1938.8104 111.1719 -206424.0028 17939.1855 0.0000 0.0000 34479.8501 -149074.6940 301.1211 -183554.5441 -148978.6674 299.9589 -36.9862 -4.1217 556907.6236 4.2882 4.1444 PRESSURE: 371400 -63.8192 107.57 -110.454 107.572 -83.5784 161.123 -110.453 161.123 64.1753 GPRESSURE: 371400 31.6666 178.06 -128.713 -5.29335 -56.0675 86.5211 -156.852 191.317 55.0268 PRESSAVG: 371400 32.5708 -2.60505 27.0409 -2.60503 12.032 -1.98074 27.0408 -1.98077 -36.7591 GPRESSAVG: 371400 32.8949 -4.50586 26.6579 -2.26224 13.0409 -4.11265 27.5967 -4.16289 -37.6968 TIMING: 371400 CPU: 1072.66, 0.00285364/step Wall: 1072.66, 0.00285364/step, 3.66899 hours remaining, 208.066406 MB of memory in use. ENERGY: 371400 729.3044 2096.2658 1979.8888 105.9025 -205859.6086 17770.0712 0.0000 0.0000 34503.4429 -148674.7328 301.3271 -183178.1758 -148576.0275 300.8514 -27.7407 10.2086 559125.7891 2.6146 2.7463 PRESSURE: 371600 -18.9672 145.403 -86.729 145.402 63.5585 93.5461 -86.7291 93.5468 -260.711 GPRESSURE: 371600 -16.9585 155.692 -56.0116 173.177 111.923 122.457 -89.5469 96.0638 -217.485 PRESSAVG: 371600 -71.123 35.4801 -27.3321 35.48 69.8588 48.7754 -27.3322 48.7754 21.3144 GPRESSAVG: 371600 -70.9614 35.7102 -28.8992 35.6579 69.1902 51.1729 -25.8114 47.8132 21.6939 TIMING: 371600 CPU: 1073.23, 0.00286211/step Wall: 1073.23, 0.00286211/step, 3.67972 hours remaining, 208.066406 MB of memory in use. ENERGY: 371600 773.0458 2087.0436 1931.1928 97.4572 -205373.4133 17485.8341 0.0000 0.0000 34209.0272 -148789.8126 298.7559 -182998.8398 -148694.9733 300.0577 -72.0399 -40.8404 557992.3539 6.6834 6.6409 PRESSURE: 371800 -86.7853 -73.1893 28.7596 -73.1908 11.6418 1.38675 28.7602 1.38779 42.2801 GPRESSURE: 371800 -86.1137 3.49327 58.5634 -19.6284 73.7469 -45.6555 80.4842 -0.776179 74.5333 PRESSAVG: 371800 -11.7462 1.95179 -23.5058 1.95178 46.2476 -26.4426 -23.5058 -26.4425 10.9786 GPRESSAVG: 371800 -12.7718 0.640606 -21.2204 3.79109 46.4678 -27.8944 -24.9798 -23.8399 11.6244 TIMING: 371800 CPU: 1073.81, 0.00286706/step Wall: 1073.81, 0.00286706/step, 3.68592 hours remaining, 208.066406 MB of memory in use. ENERGY: 371800 736.1748 2084.5940 1919.3043 109.3754 -206016.6850 17841.4025 0.0000 0.0000 34555.8004 -148770.0335 301.7844 -183325.8339 -148674.5748 300.4912 -10.9545 20.7222 558615.7459 15.1600 15.1068 PRESSURE: 372000 -221.277 42.5247 -5.46423 42.5242 68.0712 -20.823 -5.46376 -20.8232 -32.0892 GPRESSURE: 372000 -173.024 6.42364 -132.397 8.19026 123.03 -41.49 130.053 11.2473 -41.0397 PRESSAVG: 372000 -23.1683 -58.8944 -17.2871 -58.8943 58.3618 -50.0695 -17.2872 -50.0695 -35.9754 GPRESSAVG: 372000 -21.9975 -56.171 -19.1741 -61.3966 59.0431 -48.1919 -15.0256 -50.9765 -37.1735 TIMING: 372000 CPU: 1074.38, 0.00286758/step Wall: 1074.38, 0.00286758/step, 3.68643 hours remaining, 208.066406 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: 372000 741.2308 2137.9051 1934.5453 113.4503 -205798.2927 17632.7572 0.0000 0.0000 34563.7366 -148674.6674 301.8537 -183238.4040 -148576.8692 300.7867 -61.7650 -30.3443 560095.6056 -0.2606 -0.0426 PRESSURE: 372200 -54.2864 47.1279 53.9629 47.1282 -39.5941 68.0908 53.9626 68.0927 -114.789 GPRESSURE: 372200 -13.1452 28.06 -4.63319 53.1747 42.9844 90.2059 109.051 -116.942 -143.662 PRESSAVG: 372200 -2.27619 -44.7951 49.4427 -44.7951 2.69897 -51.136 49.4426 -51.1361 21.0101 GPRESSAVG: 372200 -2.45041 -48.1435 49.2221 -43.4397 1.80123 -50.9424 49.6115 -53.0313 21.9241 TIMING: 372200 CPU: 1074.96, 0.00289719/step Wall: 1074.96, 0.00289719/step, 3.72433 hours remaining, 208.066406 MB of memory in use. ENERGY: 372200 751.6629 2088.5448 1927.2382 109.5258 -205902.3540 17776.0298 0.0000 0.0000 34601.6215 -148647.7310 302.1846 -183249.3525 -148561.7353 300.8759 -69.5566 -37.9409 560035.5569 7.1443 7.0916 LDB: ============= START OF LOAD BALANCING ============== 1078.35 LDB: ============== END OF LOAD BALANCING =============== 1078.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1078.35 LDB: ============= START OF LOAD BALANCING ============== 1078.64 LDB: Largest compute 4822 load 0.025750 is 21.9% of average load 0.117784 LDB: Average compute 0.001721 is 1.5% of average load 0.117784 LDB: TIME 1078.64 LOAD: AVG 0.117784 MAX 0.179732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.324 MB LDB: TIME 1078.64 LOAD: AVG 0.117784 MAX 0.179732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.391 MB LDB: TIME 1078.64 LOAD: AVG 0.117784 MAX 0.179732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.391 MB LDB: ============== END OF LOAD BALANCING =============== 1078.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1078.65 PRESSURE: 372400 -237.654 -105.284 109.858 -105.284 -361.047 86.704 109.858 86.7034 -463.135 GPRESSURE: 372400 -241.341 -106.732 117.961 -1.84608 -293.692 186.645 100.835 20.6234 -432.188 PRESSAVG: 372400 -48.1989 -89.3224 -1.01171 -89.3224 67.5225 24.8631 -1.01166 24.863 -8.21737 GPRESSAVG: 372400 -48.2157 -88.731 0.401958 -89.9461 67.8026 22.6036 -3.1624 26.2729 -8.72987 TIMING: 372400 CPU: 1075.55, 0.00296353/step Wall: 1075.55, 0.00296354/step, 3.80946 hours remaining, 206.238281 MB of memory in use. ENERGY: 372400 764.2787 2129.2351 1912.6541 99.5200 -205341.0954 17408.6921 0.0000 0.0000 34291.8985 -148734.8170 299.4797 -183026.7155 -148636.5440 300.4817 -353.9454 -322.4070 560955.0275 3.7021 3.6190 PRESSURE: 372600 -99.172 -141.07 68.3536 -141.071 -76.0999 -50.4828 68.3521 -50.4818 3.88167 GPRESSURE: 372600 -8.52801 -225.048 71.5921 -86.6408 -91.1329 -72.5856 9.40968 -63.175 27.2247 PRESSAVG: 372600 -34.2756 -23.5408 60.1438 -23.5408 43.2067 -0.334295 60.1438 -0.334284 -78.5477 GPRESSAVG: 372600 -34.5881 -23.283 58.5213 -24.7988 43.2391 0.735987 60.4156 -0.161452 -78.6794 TIMING: 372600 CPU: 1076.13, 0.0029001/step Wall: 1076.13, 0.0029001/step, 3.72776 hours remaining, 206.437500 MB of memory in use. ENERGY: 372600 727.5409 2089.4590 1931.4848 113.7500 -205814.9758 17705.1006 0.0000 0.0000 34525.4704 -148722.1700 301.5195 -183247.6404 -148621.6824 300.7489 -57.1301 -24.1454 558026.7227 -23.2055 -23.3428 PRESSURE: 372800 -283.423 84.708 -118.149 84.7081 -43.5396 -15.0938 -118.149 -15.0946 -80.3758 GPRESSURE: 372800 -246.785 20.7756 -64.2312 171.694 -7.9241 44.2188 -151.494 -37.1171 -63.3386 PRESSAVG: 372800 36.7232 -20.5611 16.5696 -20.5611 24.1503 4.06848 16.5696 4.0686 -68.0665 GPRESSAVG: 372800 36.6774 -18.9027 16.2481 -17.8321 25.6823 5.9393 17.2965 1.94997 -69.6028 TIMING: 372800 CPU: 1076.71, 0.00286919/step Wall: 1076.71, 0.00286919/step, 3.68787 hours remaining, 206.437500 MB of memory in use. ENERGY: 372800 782.3060 2116.8044 1937.8795 116.7191 -205582.4383 17570.0702 0.0000 0.0000 34327.6552 -148731.0039 299.7920 -183058.6591 -148628.5062 300.8271 -135.7795 -106.0159 558260.7941 -2.3977 -2.4144 PRESSURE: 373000 104.199 -68.3422 -72.9718 -68.3424 -216.448 91.2419 -72.9725 91.2414 32.0614 GPRESSURE: 373000 155.073 -108.952 -80.8913 -37.6474 -223.821 -2.50793 -93.1102 129.748 78.5229 PRESSAVG: 373000 4.37123 -15.493 -8.47627 -15.4929 13.0415 -8.84738 -8.47635 -8.84738 -7.72661 GPRESSAVG: 373000 3.66669 -16.4959 -9.74483 -17.5222 12.6121 -11.2684 -8.78767 -7.71246 -7.12332 TIMING: 373000 CPU: 1077.28, 0.0028679/step Wall: 1077.28, 0.0028679/step, 3.68605 hours remaining, 206.437500 MB of memory in use. ENERGY: 373000 737.0405 2111.9964 1938.2690 118.3372 -205668.9038 17706.4056 0.0000 0.0000 34443.7925 -148613.0626 300.8062 -183056.8551 -148518.3716 301.1441 -26.7293 3.2583 558175.9484 3.2287 3.0518 PRESSURE: 373200 91.0472 20.3705 -165.198 20.3702 -63.4209 23.6498 -165.198 23.6514 -86.3731 GPRESSURE: 373200 136.385 59.1344 -179.551 -29.6643 -25.1003 39.52 -151.743 -18.5036 -68.5141 PRESSAVG: 373200 22.1878 -12.7287 -64.0683 -12.7286 -18.1394 -13.3226 -64.0683 -13.3226 8.29898 GPRESSAVG: 373200 22.2659 -11.4663 -60.4561 -11.8786 -17.31 -13.982 -63.714 -12.8448 7.26363 TIMING: 373200 CPU: 1077.86, 0.00287095/step Wall: 1077.86, 0.00287095/step, 3.68981 hours remaining, 206.437500 MB of memory in use. ENERGY: 373200 732.2125 2069.8131 1933.7227 114.0957 -205968.6490 17705.0232 0.0000 0.0000 34673.5068 -148740.2749 302.8124 -183413.7817 -148636.8282 301.7210 -19.5823 14.2569 558189.9396 4.1158 4.0732 PRESSURE: 373400 -241.97 -53.9511 -116.496 -53.951 -278.217 -62.787 -116.497 -62.7887 -213.666 GPRESSURE: 373400 -268.131 -11.5816 -78.3293 2.59584 -189.607 -171.617 -59.5307 -55.1363 -185.396 PRESSAVG: 373400 5.19343 12.9567 -7.39778 12.9568 10.0366 -71.1271 -7.39785 -71.1271 -53.8012 GPRESSAVG: 373400 6.11567 14.141 -9.35071 11.5053 8.47882 -71.1551 -5.24055 -71.1383 -52.9267 TIMING: 373400 CPU: 1078.43, 0.00285635/step Wall: 1078.43, 0.00285635/step, 3.67088 hours remaining, 206.437500 MB of memory in use. ENERGY: 373400 773.9423 2076.3478 1971.6186 113.2203 -205788.4947 17417.0051 0.0000 0.0000 34523.5844 -148912.7762 301.5030 -183436.3606 -148808.5960 300.4448 -244.6179 -214.3781 558650.8135 -12.8571 -12.7774 PRESSURE: 373600 176.258 90.9639 23.4479 90.9643 -93.2049 74.6875 23.4466 74.6882 -263.34 GPRESSURE: 373600 179.178 61.2972 -79.735 51.143 -84.6435 133.537 103.278 42.3131 -176.433 PRESSAVG: 373600 -1.91449 -32.4481 31.5185 -32.4481 33.0775 -22.0852 31.5185 -22.0851 -4.08711 GPRESSAVG: 373600 -2.54575 -35.9613 34.3881 -30.1343 32.7062 -22.0382 28.845 -22.9777 -3.36747 TIMING: 373600 CPU: 1079, 0.00287191/step Wall: 1079, 0.00287191/step, 3.69073 hours remaining, 206.640625 MB of memory in use. ENERGY: 373600 717.1132 2048.5114 1953.4278 114.8931 -205896.2100 17856.9759 0.0000 0.0000 34182.2811 -149023.0074 298.5224 -183205.2885 -148926.6011 299.7907 -60.0957 -27.2995 559317.1647 9.0253 8.9310 PRESSURE: 373800 -150.777 83.5403 109.274 83.5409 131.28 133.071 109.275 133.074 -166.95 GPRESSURE: 373800 -109.38 150.027 174.715 145.055 163.233 173.485 42.1237 61.382 -156.486 PRESSAVG: 373800 -8.65845 -21.0592 59.3572 -21.0593 -5.03093 -33.2004 59.3572 -33.2003 -48.3843 GPRESSAVG: 373800 -7.56622 -21.1757 55.3293 -20.1519 -4.36994 -33.1835 62.1454 -32.5914 -50.2027 TIMING: 373800 CPU: 1079.58, 0.00287048/step Wall: 1079.58, 0.00287048/step, 3.68872 hours remaining, 206.640625 MB of memory in use. ENERGY: 373800 761.0433 2049.9606 1938.1899 108.9476 -206033.2879 17844.4866 0.0000 0.0000 34264.3647 -149066.2952 299.2392 -183330.6599 -148972.9717 299.3919 -62.1491 -34.2112 558209.0219 -20.6912 -20.7130 PRESSURE: 374000 277.536 38.2516 52.1464 38.2525 45.9561 -244.953 52.1455 -244.954 346.078 GPRESSURE: 374000 302.828 113.332 -49.1921 52.5749 100.558 -351.83 143.585 -180.261 357.391 PRESSAVG: 374000 -8.54731 -10.7201 31.3596 -10.72 -18.0475 -28.529 31.3597 -28.529 25.8106 GPRESSAVG: 374000 -8.768 -10.5143 32.6111 -11.7439 -17.9598 -28.8277 30.0439 -27.0134 26.0747 TIMING: 374000 CPU: 1080.15, 0.0028674/step Wall: 1080.15, 0.0028674/step, 3.68461 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 374000 712.1215 2087.0743 1955.0783 100.9831 -206377.3256 18127.0773 0.0000 0.0000 34218.0843 -149176.9069 298.8350 -183394.9912 -149076.8399 299.2590 223.1900 253.5924 558343.0937 -0.2614 -0.2177 PRESSURE: 374200 385.973 154.825 -54.0009 154.825 -168.829 94.0524 -54.0005 94.0522 -175.743 GPRESSURE: 374200 336.079 86.0293 -109.269 158.492 -92.0635 94.9565 -12.8329 147.301 -114.14 PRESSAVG: 374200 -0.107738 18.6919 42.4588 18.6919 -27.8338 -20.9464 42.4589 -20.9465 11.4876 GPRESSAVG: 374200 -0.358642 19.3274 41.5319 17.667 -27.8771 -18.6991 42.6506 -22.3637 12.0489 TIMING: 374200 CPU: 1080.73, 0.00289469/step Wall: 1080.73, 0.00289469/step, 3.71952 hours remaining, 206.640625 MB of memory in use. ENERGY: 374200 727.7139 2081.8915 1942.3024 94.4651 -206105.0374 17850.6471 0.0000 0.0000 34282.8639 -149125.1536 299.4008 -183408.0175 -149027.3414 298.7848 13.8007 43.2918 558305.3081 -5.4846 -5.3956 PRESSURE: 374400 90.4515 18.6884 29.5943 18.6882 163.59 150.456 29.5942 150.455 -84.1126 GPRESSURE: 374400 163.467 45.9694 101.147 -14.8306 196.392 225.886 29.2591 139.791 -109.82 PRESSAVG: 374400 37.5628 -29.4534 -17.6149 -29.4534 -23.5859 -17.644 -17.615 -17.6441 9.63139 GPRESSAVG: 374400 36.8267 -30.5225 -15.5849 -29.1638 -23.4923 -19.4267 -17.9875 -18.4984 10.0775 TIMING: 374400 CPU: 1081.3, 0.00288643/step Wall: 1081.3, 0.00288643/step, 3.70874 hours remaining, 206.640625 MB of memory in use. ENERGY: 374400 703.2216 2065.3043 1925.5475 112.8533 -206360.0465 17949.6597 0.0000 0.0000 34458.6864 -149144.7737 300.9363 -183603.4601 -149044.5401 299.1153 56.6431 83.3461 557717.5970 7.8694 7.8039 PRESSURE: 374600 59.7098 62.6608 17.0986 62.6606 -84.8727 157.04 17.0986 157.042 283.828 GPRESSURE: 374600 117.394 120.268 72.9462 -21.737 10.384 177.157 -77.2547 188.604 225.043 PRESSAVG: 374600 37.5847 -48.1762 56.5305 -48.1762 -9.84677 -37.6134 56.5305 -37.6136 5.5445 GPRESSAVG: 374600 37.5703 -47.7884 56.5467 -47.8619 -8.95185 -37.2399 55.1566 -35.8114 4.22499 TIMING: 374600 CPU: 1081.88, 0.00285661/step Wall: 1081.88, 0.00285661/step, 3.67026 hours remaining, 206.640625 MB of memory in use. ENERGY: 374600 763.8400 2112.0364 1943.8682 101.6681 -206348.9790 18084.5744 0.0000 0.0000 34037.4513 -149305.5406 297.2575 -183342.9920 -149213.4557 299.3987 86.2218 117.6069 558687.2492 11.0942 10.9478 PRESSURE: 374800 -70.3806 -70.2889 -34.8269 -70.289 -185.578 -162.914 -34.8271 -162.915 80.2451 GPRESSURE: 374800 -10.2361 -179.916 -121.227 -10.6023 -135.335 -208.625 46.0388 -97.2026 57.1646 PRESSAVG: 374800 63.3545 -11.7611 -13.091 -11.7611 -79.0057 -7.35242 -13.0909 -7.3524 23.9826 GPRESSAVG: 374800 63.6509 -10.951 -12.4869 -13.7247 -79.5875 -6.17674 -12.4182 -8.38471 24.4004 TIMING: 374800 CPU: 1082.45, 0.00284635/step Wall: 1082.45, 0.00284635/step, 3.65693 hours remaining, 206.640625 MB of memory in use. ENERGY: 374800 695.3064 2095.1120 1924.5267 113.7373 -205947.9093 17537.2286 0.0000 0.0000 34247.8317 -149334.1666 299.0948 -183581.9983 -149247.6904 298.9494 -58.5711 -29.4687 559026.2759 2.7771 2.8213 PRESSURE: 375000 59.8931 142.1 48.0759 142.1 -120.003 -63.6359 48.0761 -63.6356 -348.428 GPRESSURE: 375000 72.3801 94.4371 6.23349 169.896 -66.2261 -70.8066 124.418 -129.367 -314.467 PRESSAVG: 375000 64.8817 -17.4474 2.62269 -17.4474 -97.6508 -9.9068 2.62271 -9.9068 -16.6986 GPRESSAVG: 375000 65.2818 -20.1027 -0.503414 -15.985 -99.0871 -11.343 3.96059 -9.107 -15.9619 TIMING: 375000 CPU: 1083.02, 0.00288695/step Wall: 1083.02, 0.00288695/step, 3.70892 hours remaining, 206.640625 MB of memory in use. ENERGY: 375000 762.0471 2074.4365 1968.4404 119.3159 -205752.5223 17546.3727 0.0000 0.0000 33985.2731 -149296.6364 296.8018 -183281.9095 -149208.8723 298.9719 -136.1793 -102.7712 557353.7216 -16.4892 -16.5891 PRESSURE: 375200 157.606 -81.6641 32.0134 -81.6644 180.259 11.8217 32.0127 11.8206 30.3865 GPRESSURE: 375200 186.306 -41.8282 -18.0876 -42.7222 214.832 -3.03865 13.0428 -98.1576 71.9809 PRESSAVG: 375200 2.811 24.0935 -32.7778 24.0935 21.9167 -9.72897 -32.7779 -9.72897 4.75798 GPRESSAVG: 375200 1.7695 24.3527 -28.2921 23.3904 22.3476 -9.0892 -33.95 -9.7843 5.30312 TIMING: 375200 CPU: 1083.6, 0.00286598/step Wall: 1083.6, 0.00286598/step, 3.68183 hours remaining, 206.640625 MB of memory in use. ENERGY: 375200 721.4825 2101.2073 1954.4385 114.1685 -206355.3427 17953.2013 0.0000 0.0000 34346.6981 -149164.1464 299.9583 -183510.8446 -149073.7212 299.0556 122.7508 157.7064 557133.2449 9.8286 9.8067 PRESSURE: 375400 -67.9637 20.2016 -39.1193 20.2013 192.215 -121.963 -39.1193 -121.963 -191.611 GPRESSURE: 375400 -41.9091 -34.7584 -21.9313 -2.17189 227.457 -12.8335 2.03347 -180.004 -153.806 PRESSAVG: 375400 -24.4229 -53.4753 -40.725 -53.4752 18.9901 4.63915 -40.725 4.63919 3.40619 GPRESSAVG: 375400 -24.0968 -52.1841 -42.1052 -52.6003 19.2884 5.50263 -39.3584 2.3359 2.59443 TIMING: 375400 CPU: 1084.17, 0.00286938/step Wall: 1084.17, 0.00286938/step, 3.68604 hours remaining, 206.640625 MB of memory in use. ENERGY: 375400 745.7840 2128.7549 1946.8920 116.7137 -206200.4857 17761.8192 0.0000 0.0000 34287.8841 -149212.6378 299.4446 -183500.5219 -149125.8043 300.0000 -22.4531 10.5807 556889.4173 -0.6756 -0.7380 PRESSURE: 375600 -255.003 -138.987 -39.5456 -138.988 70.792 -34.3768 -39.5465 -34.377 -79.5879 GPRESSURE: 375600 -196.671 -161.126 -162.055 -133.981 75.7653 -127.334 -26.4257 -28.2899 -25.148 PRESSAVG: 375600 -42.5205 -4.46586 -35.8052 -4.46584 23.9568 -27.3182 -35.8053 -27.3182 -14.8941 GPRESSAVG: 375600 -42.7779 -4.10047 -37.8133 -4.6172 23.5858 -28.0507 -34.5635 -26.6674 -13.3017 TIMING: 375600 CPU: 1084.75, 0.00288011/step Wall: 1084.75, 0.00288011/step, 3.69967 hours remaining, 206.695312 MB of memory in use. ENERGY: 375600 778.3281 2118.8407 1966.2838 118.8196 -206484.2599 18003.1701 0.0000 0.0000 34539.5594 -148959.2580 301.6426 -183498.8175 -148857.6204 299.8511 -87.9328 -48.6845 557508.9176 -11.1526 -10.8313 PRESSURE: 375800 -35.916 -130.76 219.049 -130.759 -186.232 83.5288 219.048 83.5284 -174.212 GPRESSURE: 375800 -13.969 -151.348 111.678 -84.7418 -159.433 67.5035 311.907 114.92 -125.025 PRESSAVG: 375800 -7.92472 -10.2379 -46.4952 -10.2378 28.1854 -3.11333 -46.4952 -3.11325 -7.16519 GPRESSAVG: 375800 -7.14207 -11.5758 -43.7249 -9.41423 29.4153 -2.74687 -47.2048 -2.15296 -8.9622 TIMING: 375800 CPU: 1085.32, 0.00288758/step Wall: 1085.32, 0.00288758/step, 3.70909 hours remaining, 206.695312 MB of memory in use. ENERGY: 375800 743.5212 2103.1088 1963.0798 121.4550 -205839.4235 17540.2527 0.0000 0.0000 34295.5103 -149072.4958 299.5112 -183368.0061 -148974.2942 300.2391 -132.1198 -99.4754 558190.2878 4.3652 4.4370 PRESSURE: 376000 -25.4453 -114.695 123.697 -114.696 -138.823 -104.535 123.698 -104.534 -90.162 GPRESSURE: 376000 10.3948 -114.598 40.6385 -92.9922 -126.84 -177.152 138.377 -77.4933 -56.0705 PRESSAVG: 376000 37.5969 -1.41135 1.10575 -1.41145 -104.727 47.9097 1.10577 47.9097 46.1679 GPRESSAVG: 376000 37.7223 -1.20765 0.413637 -1.10764 -105.907 46.1477 0.356235 49.2725 46.8593 TIMING: 376000 CPU: 1085.9, 0.00288428/step Wall: 1085.9, 0.00288428/step, 3.7047 hours remaining, 206.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 376000 732.5501 2118.2606 1960.0779 115.2694 -205541.2968 17365.5328 0.0000 0.0000 34389.8056 -148859.8003 300.3347 -183249.6060 -148768.1895 300.2700 -84.8102 -57.5054 557318.8995 -6.9873 -7.1084 PRESSURE: 376200 1.7581 -10.3747 63.1088 -10.3741 153.98 -115.067 63.1084 -115.068 69.3274 GPRESSURE: 376200 66.398 39.5664 -27.3356 -114.638 139.408 -154.403 118.92 -189.24 114.09 PRESSAVG: 376200 -24.9498 -26.627 19.7393 -26.6271 -57.8137 -44.7227 19.7394 -44.7227 52.2562 GPRESSAVG: 376200 -25.2305 -25.8787 19.585 -27.9537 -57.8172 -44.0476 19.8633 -46.8394 52.9725 TIMING: 376200 CPU: 1086.48, 0.00287782/step Wall: 1086.48, 0.00287782/step, 3.69624 hours remaining, 206.695312 MB of memory in use. ENERGY: 376200 759.2701 2101.8834 1951.5808 119.0978 -206109.8595 17859.3358 0.0000 0.0000 34410.8301 -148907.8616 300.5183 -183318.6916 -148809.6351 300.4045 75.0218 106.6319 557413.7364 -10.1691 -10.0251 LDB: ============= START OF LOAD BALANCING ============== 1089.86 LDB: ============== END OF LOAD BALANCING =============== 1089.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1089.86 LDB: ============= START OF LOAD BALANCING ============== 1090.15 LDB: Largest compute 4822 load 0.025658 is 21.8% of average load 0.117807 LDB: Average compute 0.001722 is 1.5% of average load 0.117807 LDB: TIME 1090.15 LOAD: AVG 0.117807 MAX 0.179198 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.602 MB LDB: TIME 1090.15 LOAD: AVG 0.117807 MAX 0.179198 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.602 MB LDB: TIME 1090.15 LOAD: AVG 0.117807 MAX 0.179198 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.602 MB LDB: ============== END OF LOAD BALANCING =============== 1090.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1090.16 PRESSURE: 376400 73.7087 -44.799 -9.59022 -44.7995 353.821 38.5077 -9.58976 38.5064 -92.216 GPRESSURE: 376400 37.467 -42.9276 -43.5354 -24.5267 372.275 -17.534 -49.3688 80.2855 4.94447 PRESSAVG: 376400 -14.2148 -14.6665 25.7301 -14.6665 6.82139 -15.7665 25.7301 -15.7666 42.5166 GPRESSAVG: 376400 -15.4204 -13.0594 25.5879 -15.4477 7.45836 -16.127 25.8758 -12.346 42.8643 TIMING: 376400 CPU: 1087.06, 0.00294274/step Wall: 1087.06, 0.00294274/step, 3.77946 hours remaining, 205.085938 MB of memory in use. ENERGY: 376400 719.9169 2121.5570 1955.2046 108.4786 -206285.4042 18030.2175 0.0000 0.0000 34276.7697 -149073.2600 299.3476 -183350.0297 -148976.6157 299.8722 111.7711 138.2287 559829.7672 11.7077 11.6341 PRESSURE: 376600 -140.333 77.7517 -106.056 77.7514 -208.14 -62.4227 -106.055 -62.4242 -28.5735 GPRESSURE: 376600 -135.342 64.2955 -65.0454 91.8788 -177.868 -133.723 -147.726 -16.9983 46.5162 PRESSAVG: 376600 15.5932 1.36271 15.525 1.36285 -25.6463 -75.6129 15.5251 -75.6128 39.6264 GPRESSAVG: 376600 16.4666 -0.704278 16.0314 3.51971 -26.3866 -74.2208 13.0865 -76.6916 39.4718 TIMING: 376600 CPU: 1087.64, 0.00289022/step Wall: 1087.64, 0.00289022/step, 3.71184 hours remaining, 205.289062 MB of memory in use. ENERGY: 376600 755.2521 2074.7878 1955.0902 103.9316 -206044.7314 17911.2517 0.0000 0.0000 34139.3877 -149105.0304 298.1478 -183244.4180 -149002.2039 298.8791 -125.6820 -88.8981 560626.4167 9.8578 9.8506 PRESSURE: 376800 -58.9112 94.0605 -26.2906 94.0618 -87.0926 84.7839 -26.2911 84.7836 -25.1204 GPRESSURE: 376800 -65.8296 113.059 -7.10243 46.5276 -41.2978 94.9296 19.6775 20.4334 25.0657 PRESSAVG: 376800 -26.4785 52.8347 32.1022 52.8346 -13.1138 -35.1781 32.1022 -35.178 16.612 GPRESSAVG: 376800 -27.2823 53.3149 31.7463 51.8069 -12.4543 -35.0292 32.4866 -38.3312 16.9033 TIMING: 376800 CPU: 1088.22, 0.00288841/step Wall: 1088.22, 0.00288841/step, 3.70935 hours remaining, 205.289062 MB of memory in use. ENERGY: 376800 792.7826 2125.5719 1992.5779 135.3535 -206298.3416 17849.9249 0.0000 0.0000 34253.9544 -149148.1765 299.1483 -183402.1309 -149061.1355 299.6777 -57.0414 -27.3539 558330.1950 -7.6601 -7.6111 PRESSURE: 377000 117.034 -115.91 -2.24952 -115.91 13.4114 6.10607 -2.24859 6.10566 -79.2309 GPRESSURE: 377000 207.379 -152.844 -57.4633 -191.047 39.8659 28.6323 64.5259 -27.2403 -87.6019 PRESSAVG: 377000 20.9292 -6.88698 -43.9931 -6.88699 -21.4547 -8.35362 -43.9931 -8.35346 4.23003 GPRESSAVG: 377000 22.2498 -7.61568 -42.2971 -6.4428 -22.2411 -10.118 -44.1798 -7.39864 3.62516 TIMING: 377000 CPU: 1088.8, 0.00289695/step Wall: 1088.8, 0.00289695/step, 3.72017 hours remaining, 205.289062 MB of memory in use. ENERGY: 377000 783.0613 2146.0569 1964.8080 130.2938 -206296.7992 17907.3448 0.0000 0.0000 34342.2647 -149022.9696 299.9195 -183365.2343 -148924.7447 299.7134 17.0716 53.2145 557504.8575 1.2348 1.2113 PRESSURE: 377200 69.8681 -7.5463 -11.9038 -7.54533 -144.436 75.321 -11.9045 75.3213 27.0391 GPRESSURE: 377200 89.3671 24.2443 -119.682 29.5198 -71.1337 99.1722 -35.6452 85.5075 50.3462 PRESSAVG: 377200 30.0234 42.9227 -68.2453 42.9227 -1.77194 28.8755 -68.2453 28.8756 26.3986 GPRESSAVG: 377200 30.6336 43.6672 -69.0798 44.511 -2.57217 28.4493 -66.7372 30.3563 26.8625 TIMING: 377200 CPU: 1089.38, 0.00289432/step Wall: 1089.38, 0.00289432/step, 3.71663 hours remaining, 205.289062 MB of memory in use. ENERGY: 377200 744.5092 2159.2532 1960.1132 114.0389 -206412.1968 17919.6153 0.0000 0.0000 34507.5380 -149007.1290 301.3629 -183514.6670 -148910.9390 300.3492 -15.8429 22.8599 557377.3223 18.2167 18.3080 PRESSURE: 377400 218.151 -118.725 -131.14 -118.726 49.6827 81.8926 -131.14 81.8919 141.941 GPRESSURE: 377400 297.204 -137.238 -204.74 -159.835 123.312 109.185 -153.582 91.8217 88.0564 PRESSAVG: 377400 26.4601 26.0931 -6.93005 26.0932 3.05914 38.8837 -6.93009 38.8838 -40.6459 GPRESSAVG: 377400 26.3333 25.3812 -5.6565 27.5223 3.64717 39.2005 -7.79092 39.6652 -41.2503 TIMING: 377400 CPU: 1089.96, 0.00289353/step Wall: 1089.96, 0.00289353/step, 3.71545 hours remaining, 205.289062 MB of memory in use. ENERGY: 377400 741.0960 2116.8633 1957.1568 108.3242 -206272.6821 18042.6284 0.0000 0.0000 34214.6031 -149092.0103 298.8046 -183306.6134 -148991.3300 299.6856 136.5919 169.5242 558547.0339 -3.7089 -3.7566 PRESSURE: 377600 55.888 -109.956 82.8312 -109.955 -211.558 185.055 82.8309 185.054 181.147 GPRESSURE: 377600 41.9281 -135.138 61.2856 -32.6106 -146.004 96.538 173.37 87.5835 218.902 PRESSAVG: 377600 14.2399 -31.22 60.9272 -31.2201 -12.6221 -51.7183 60.9272 -51.7182 3.67329 GPRESSAVG: 377600 13.1013 -29.7366 60.3711 -33.6068 -11.3975 -53.9288 62.4769 -51.1039 3.20006 TIMING: 377600 CPU: 1090.53, 0.00285897/step Wall: 1090.53, 0.00285897/step, 3.67092 hours remaining, 205.289062 MB of memory in use. ENERGY: 377600 746.3088 2098.3527 1940.5416 120.3765 -206011.1263 17727.4773 0.0000 0.0000 34254.9836 -149123.0858 299.1573 -183378.0694 -149028.3332 299.4106 8.4923 38.2752 557914.5128 1.7637 1.6346 PRESSURE: 377800 -243.172 -118.582 -54.7984 -118.583 -115.869 236.24 -54.7998 236.24 -100.687 GPRESSURE: 377800 -290.989 -98.8111 -75.2908 -140.355 -24.9011 234.125 -59.1134 208.344 -43.6259 PRESSAVG: 377800 -70.2946 1.92926 41.9317 1.9293 12.193 6.22383 41.9316 6.22385 32.8617 GPRESSAVG: 377800 -70.0985 0.807861 41.4901 1.04801 11.045 9.15645 40.7595 3.35142 34.0829 TIMING: 377800 CPU: 1091.11, 0.00288833/step Wall: 1091.11, 0.00288833/step, 3.70846 hours remaining, 205.289062 MB of memory in use. ENERGY: 377800 761.8063 2104.0608 1967.5341 105.7024 -206494.3150 17892.3163 0.0000 0.0000 34237.9537 -149424.9414 299.0086 -183662.8951 -149329.0355 299.4540 -153.2425 -119.8387 557087.6522 -8.4133 -8.3235 PRESSURE: 378000 100.962 65.6521 -64.4428 65.6522 -130.906 -97.2615 -64.4443 -97.2632 -47.8026 GPRESSURE: 378000 184.622 133.391 -95.8857 176.281 -93.2949 -122.962 -42.4322 -10.5777 -72.4563 PRESSAVG: 378000 21.8482 1.37655 -2.15399 1.3765 -29.0448 -0.711372 -2.15402 -0.711526 14.2952 GPRESSAVG: 378000 21.4013 3.28314 -2.57541 2.8563 -28.4374 -2.43258 -2.96708 0.66513 13.4897 TIMING: 378000 CPU: 1091.68, 0.00288233/step Wall: 1091.68, 0.00288232/step, 3.70058 hours remaining, 205.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 378000 756.7498 2147.1262 1949.4539 118.3762 -206526.1857 17813.3616 0.0000 0.0000 34309.5202 -149431.5979 299.6336 -183741.1181 -149336.5069 299.2207 -25.9154 6.2904 556574.8120 2.3662 2.1512 PRESSURE: 378200 -22.8449 45.0042 76.9367 45.0044 96.3014 -50.2672 76.936 -50.2657 328.046 GPRESSURE: 378200 -12.3783 36.5521 192.872 13.0499 92.2334 -22.4714 73.1785 -21.7142 408.391 PRESSAVG: 378200 13.7751 20.9026 -75.7647 20.9026 -4.67047 18.8319 -75.7646 18.832 -16.86 GPRESSAVG: 378200 13.4694 18.3538 -75.0193 21.7155 -4.08424 19.8231 -73.7906 18.785 -16.957 TIMING: 378200 CPU: 1092.26, 0.00286897/step Wall: 1092.26, 0.00286897/step, 3.68328 hours remaining, 205.289062 MB of memory in use. ENERGY: 378200 711.7723 2100.0668 1971.2676 113.5841 -206815.8781 17987.1136 0.0000 0.0000 34290.7699 -149641.3038 299.4698 -183932.0737 -149542.4586 298.4863 133.8342 162.7487 555992.9228 -2.5851 -2.5240 PRESSURE: 378400 83.7471 5.9599 -27.9501 5.95874 46.6171 -73.9021 -27.9485 -73.9037 108.484 GPRESSURE: 378400 87.65 -14.224 -27.2019 13.0329 107.641 0.122472 -20.1813 -74.0593 148.424 PRESSAVG: 378400 -34.8343 5.52422 63.7747 5.52418 49.8529 -14.8323 63.7747 -14.8323 -18.332 GPRESSAVG: 378400 -33.9281 6.29936 64.0895 5.80787 48.694 -14.6187 61.0606 -15.1236 -18.3175 TIMING: 378400 CPU: 1092.83, 0.00286684/step Wall: 1092.83, 0.00286684/step, 3.68038 hours remaining, 205.289062 MB of memory in use. ENERGY: 378400 742.7810 2120.5063 1915.9140 119.2107 -206709.5211 18045.5004 0.0000 0.0000 33964.2770 -149801.3317 296.6185 -183765.6087 -149704.9466 297.7598 79.6161 114.5719 555492.0018 -1.1045 -1.1839 PRESSURE: 378600 -8.12387 -109.713 -98.909 -109.713 31.7185 18.3822 -98.9096 18.3818 49.9815 GPRESSURE: 378600 46.1232 -166.558 -113.792 -168.786 91.2503 -32.4674 -132.71 19.5369 45.2503 PRESSAVG: 378600 -40.3609 -11.7117 44.8638 -11.7116 5.40877 18.3263 44.8638 18.3264 76.8272 GPRESSAVG: 378600 -40.4871 -9.43252 44.608 -13.9064 5.02178 16.1996 47.0123 21.2344 77.4315 TIMING: 378600 CPU: 1093.41, 0.00288727/step Wall: 1093.41, 0.00288727/step, 3.70646 hours remaining, 205.289062 MB of memory in use. ENERGY: 378600 737.4182 2064.4184 1911.1031 104.1178 -206602.6075 17821.5415 0.0000 0.0000 34250.5765 -149713.4320 299.1188 -183964.0085 -149616.6474 297.7347 24.5254 60.8746 555235.9848 13.9584 13.9887 PRESSURE: 378800 -23.8566 -164.683 -68.6596 -164.683 112.324 0.320685 -68.6599 0.321648 24.5576 GPRESSURE: 378800 66.4195 -143.553 -99.015 -241.275 109.045 6.79593 -39.0611 38.1631 31.593 PRESSAVG: 378800 13.6111 -41.788 -15.8689 -41.788 -40.0358 41.5212 -15.8689 41.5213 37.7654 GPRESSAVG: 378800 12.552 -43.1971 -15.7375 -41.0203 -39.3532 41.6938 -15.1872 41.4168 38.6263 TIMING: 378800 CPU: 1093.98, 0.00287932/step Wall: 1093.98, 0.00287932/step, 3.69609 hours remaining, 205.289062 MB of memory in use. ENERGY: 378800 733.2576 2056.6559 1923.2872 105.4265 -206786.7968 17985.8796 0.0000 0.0000 34356.1750 -149626.1151 300.0410 -183982.2901 -149525.7334 298.3309 37.6751 69.0191 555624.4966 3.7802 3.9417 PRESSURE: 379000 -182.925 -91.4485 8.22593 -91.4495 -265.672 -76.9519 8.2263 -76.9518 -351.591 GPRESSURE: 379000 -92.404 -132.561 -82.4633 -127.203 -229.374 -128.084 57.9079 -48.1078 -369.474 PRESSAVG: 379000 -11.0624 -47.9826 26.5693 -47.9826 -1.64524 53.9889 26.5693 53.9888 -14.4931 GPRESSAVG: 379000 -9.13037 -49.5683 27.313 -46.248 -2.52574 53.8702 24.8599 52.3626 -15.3735 TIMING: 379000 CPU: 1094.56, 0.0028719/step Wall: 1094.56, 0.0028719/step, 3.6864 hours remaining, 205.289062 MB of memory in use. ENERGY: 379000 766.1987 2061.8231 1957.9539 104.7308 -206436.5661 17646.5272 0.0000 0.0000 34192.7746 -149706.5578 298.6140 -183899.3324 -149605.1000 298.4919 -266.7293 -230.4177 555536.8781 -9.0669 -9.0099 PRESSURE: 379200 34.1904 -129.997 -66.3805 -129.998 -104.068 -87.3178 -66.3806 -87.3172 -52.2198 GPRESSURE: 379200 87.2331 -138.013 -53.3908 -50.9792 -114.435 -133.511 -14.1152 -38.1822 -3.97884 PRESSAVG: 379200 4.66693 -86.8687 23.9019 -86.8687 18.6479 19.6436 23.902 19.6436 -47.373 GPRESSAVG: 379200 3.60963 -84.0195 21.5457 -88.6325 18.6588 22.0514 25.67 17.1868 -46.5161 TIMING: 379200 CPU: 1095.13, 0.00286909/step Wall: 1095.13, 0.00286909/step, 3.68264 hours remaining, 205.289062 MB of memory in use. ENERGY: 379200 769.2331 2064.5664 1940.8068 102.0096 -206882.8441 17956.3002 0.0000 0.0000 34359.2752 -149690.6528 300.0681 -184049.9280 -149591.9639 298.0760 -40.6993 -10.3936 556772.1195 -8.0194 -8.0826 PRESSURE: 379400 -300.648 -29.4267 -12.3629 -29.4253 124.02 -114.851 -12.3624 -114.852 -81.8305 GPRESSURE: 379400 -278.159 -49.7769 -57.4415 35.226 156.372 -63.9086 6.02464 -143.101 -39.1583 PRESSAVG: 379400 -8.76919 -40.2516 -40.9559 -40.2517 32.6929 27.7962 -40.9559 27.7961 13.6054 GPRESSAVG: 379400 -8.84933 -40.5833 -38.9818 -41.8625 32.0604 25.2549 -42.8661 31.4072 13.8155 TIMING: 379400 CPU: 1095.7, 0.00285724/step Wall: 1095.7, 0.00285724/step, 3.66727 hours remaining, 205.289062 MB of memory in use. ENERGY: 379400 777.4435 2075.6950 1913.2192 115.2546 -206539.9347 17733.7330 0.0000 0.0000 34184.7211 -149739.8682 298.5437 -183924.5894 -149641.8021 298.3548 -86.1531 -53.6485 555291.3163 12.5097 12.3422 PRESSURE: 379600 118.427 218.194 -111.326 218.192 -11.5482 244.678 -111.327 244.68 -559.33 GPRESSURE: 379600 103.866 166.328 -66.5289 177.294 56.1104 167.842 -170.667 173.19 -513.606 PRESSAVG: 379600 -2.49987 -53.3078 -6.28499 -53.3078 53.7839 32.8144 -6.285 32.8145 -65.6738 GPRESSAVG: 379600 -2.75912 -55.3237 -7.43413 -51.5372 52.8625 32.9513 -3.91226 31.0498 -65.2936 TIMING: 379600 CPU: 1096.28, 0.00286631/step Wall: 1096.28, 0.00286631/step, 3.67875 hours remaining, 205.289062 MB of memory in use. ENERGY: 379600 739.8476 2102.7059 1927.6937 101.2667 -206462.4715 17751.7600 0.0000 0.0000 34049.4240 -149789.7735 297.3621 -183839.1976 -149694.6079 297.7168 -150.8169 -117.8766 557812.2359 -4.7966 -5.0634 PRESSURE: 379800 57.5034 -278.94 2.43722 -278.94 -11.9009 41.5372 2.43766 41.5393 307.805 GPRESSURE: 379800 103.855 -290.091 -67.1758 -259.816 12.1157 104.832 45.5 93.2019 337.284 PRESSAVG: 379800 -34.6938 8.1853 1.51529 8.18534 56.7409 40.7809 1.51524 40.7808 -50.5596 GPRESSAVG: 379800 -34.4065 8.1002 3.48989 9.09147 57.0415 43.8074 1.08015 38.6694 -50.9252 TIMING: 379800 CPU: 1096.85, 0.00288431/step Wall: 1096.85, 0.00288431/step, 3.7017 hours remaining, 205.289062 MB of memory in use. ENERGY: 379800 734.7894 2101.4297 1949.9181 124.8706 -207180.3047 18108.3879 0.0000 0.0000 34222.9597 -149937.9492 298.8776 -184160.9089 -149838.7243 297.4620 117.8025 151.0850 556258.1454 -9.5041 -9.4301 PRESSURE: 380000 -278.446 -139.44 -57.2187 -139.441 -9.61666 165.912 -57.2191 165.911 -113.375 GPRESSURE: 380000 -239.265 -56.5956 3.05248 -152.698 10.8252 150.852 -74.5629 159.356 -77.3501 PRESSAVG: 380000 27.385 -47.0847 -32.2533 -47.0847 -35.0522 61.728 -32.2533 61.7281 31.2253 GPRESSAVG: 380000 27.9511 -45.8175 -33.2378 -48.5507 -34.528 60.2093 -30.1714 63.6669 29.596 TIMING: 380000 CPU: 1097.43, 0.0028847/step Wall: 1097.43, 0.0028847/step, 3.70203 hours remaining, 205.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 380000 737.1139 2116.2064 1931.0453 112.1896 -206771.8079 17756.7963 0.0000 0.0000 34133.0814 -149985.3750 298.0927 -184118.4563 -149898.1371 296.9451 -133.8123 -101.9300 557537.5319 7.8527 7.6730 PRESSURE: 380200 -22.8528 141.969 65.0765 141.969 -38.0272 -113.797 65.0765 -113.798 80.5183 GPRESSURE: 380200 -11.1877 119.466 14.7881 166.099 4.87614 -101.207 36.8103 -86.0215 111.585 PRESSAVG: 380200 -22.0255 -9.54658 -13.886 -9.54651 -15.5879 32.5757 -13.8861 32.5757 35.0129 GPRESSAVG: 380200 -22.9925 -11.2563 -14.3191 -7.54832 -15.9972 32.3306 -17.668 32.9792 36.1191 TIMING: 380200 CPU: 1098.01, 0.0028744/step Wall: 1098.01, 0.0028744/step, 3.68865 hours remaining, 205.289062 MB of memory in use. ENERGY: 380200 754.9424 2096.3964 1947.1195 105.2505 -207039.8054 18079.4711 0.0000 0.0000 33978.7319 -150077.8936 296.7447 -184056.6255 -149984.8474 297.0780 6.5461 35.0912 556892.9307 -0.8668 -0.9569 LDB: ============= START OF LOAD BALANCING ============== 1101.39 LDB: ============== END OF LOAD BALANCING =============== 1101.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1101.39 LDB: ============= START OF LOAD BALANCING ============== 1101.68 LDB: Largest compute 4822 load 0.025321 is 21.5% of average load 0.117828 LDB: Average compute 0.001719 is 1.5% of average load 0.117828 LDB: TIME 1101.68 LOAD: AVG 0.117828 MAX 0.178343 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 1101.68 LOAD: AVG 0.117828 MAX 0.178343 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.734 MB LDB: TIME 1101.68 LOAD: AVG 0.117828 MAX 0.178343 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1101.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1101.69 PRESSURE: 380400 84.6685 10.5533 -91.7513 10.5546 366.143 81.5083 -91.7512 81.5082 -226.928 GPRESSURE: 380400 96.3712 -27.3674 -161.981 57.9678 393.75 47.5828 11.5925 59.1717 -155.105 PRESSAVG: 380400 -18.3711 -52.5756 7.72387 -52.5755 0.897695 42.8458 7.72384 42.8458 -18.5305 GPRESSAVG: 380400 -17.9248 -52.5501 8.56676 -54.4146 0.404224 42.2299 11.0246 40.5663 -18.4321 TIMING: 380400 CPU: 1098.59, 0.00293747/step Wall: 1098.59, 0.00293747/step, 3.76942 hours remaining, 205.800781 MB of memory in use. ENERGY: 380400 751.1694 2119.2608 1927.7083 110.7859 -207482.1073 18289.5329 0.0000 0.0000 34375.6416 -149908.0085 300.2110 -184283.6501 -149818.4418 297.6102 74.6279 111.6720 556279.7927 -12.0013 -11.9842 PRESSURE: 380600 102.233 56.5663 -21.618 56.5668 -43.8579 62.6468 -21.6187 62.645 112.237 GPRESSURE: 380600 100.901 61.7173 -59.4947 101.297 -17.2541 114.596 -9.04323 43.8935 170.915 PRESSAVG: 380600 -21.9743 9.94593 -40.0588 9.94595 21.2792 28.7837 -40.0588 28.7837 30.8316 GPRESSAVG: 380600 -21.3664 9.72853 -40.0517 9.79495 20.6603 31.6477 -42.6332 28.2244 30.5858 TIMING: 380600 CPU: 1099.17, 0.00286742/step Wall: 1099.17, 0.00286742/step, 3.67938 hours remaining, 205.800781 MB of memory in use. ENERGY: 380600 748.8788 2080.0273 1959.0642 107.5272 -206964.5941 17973.2756 0.0000 0.0000 34294.6891 -149801.1318 299.5040 -184095.8209 -149702.1025 298.1307 56.8709 84.8537 555481.2131 10.0455 9.9599 PRESSURE: 380800 -165.799 8.5538 -95.6608 8.55176 -36.9653 24.7801 -95.6594 24.7794 70.1469 GPRESSURE: 380800 -113.199 9.89622 -112.142 -10.1798 -60.403 -31.6653 -107.218 22.8559 122.855 PRESSAVG: 380800 -63.9993 52.4197 15.5936 52.4198 93.8646 21.6635 15.5936 21.6636 -37.253 GPRESSAVG: 380800 -65.0598 54.7348 15.782 50.3648 93.1331 19.1408 16.2573 23.3737 -35.5683 TIMING: 380800 CPU: 1099.74, 0.0028634/step Wall: 1099.74, 0.0028634/step, 3.67407 hours remaining, 205.800781 MB of memory in use. ENERGY: 380800 752.8818 2129.4010 1933.7821 108.0962 -206267.1472 17679.4269 0.0000 0.0000 34059.0487 -149604.5105 297.4461 -183663.5593 -149512.3032 297.5639 -44.2058 -16.9156 556846.0773 -2.4626 -2.4983 PRESSURE: 381000 127.721 3.13846 -21.353 3.13886 96.9688 -52.0208 -21.353 -52.02 -98.9774 GPRESSURE: 381000 111.924 33.8184 -10.5678 -61.0688 162.221 -43.9037 36.762 -50.2248 -53.1269 PRESSAVG: 381000 21.8809 -71.6481 -48.984 -71.6481 55.9251 0.957889 -48.9841 0.957857 -31.7578 GPRESSAVG: 381000 21.3489 -73.8224 -49.9789 -70.4352 57.4319 1.95568 -47.6354 0.751651 -33.1682 TIMING: 381000 CPU: 1100.31, 0.00286755/step Wall: 1100.31, 0.00286755/step, 3.67922 hours remaining, 205.800781 MB of memory in use. ENERGY: 381000 718.8736 2123.7126 1949.4318 114.4184 -206747.9981 18026.7375 0.0000 0.0000 34404.9093 -149409.9149 300.4666 -183814.8242 -149322.2852 298.3838 41.9041 73.6726 557139.6523 15.3494 15.2042 PRESSURE: 381200 -267.467 33.6529 41.3412 33.6536 -192.528 -12.6105 41.3423 -12.6092 101.609 GPRESSURE: 381200 -210.525 23.6288 50.3618 49.0983 -159.241 -27.737 86.1282 29.6513 121.519 PRESSAVG: 381200 3.57215 -35.5665 -75.1964 -35.5664 34.8874 13.983 -75.1963 13.983 -52.5898 GPRESSAVG: 381200 3.19033 -33.2026 -75.9009 -35.2116 34.8602 14.9472 -75.5799 12.5998 -52.3875 TIMING: 381200 CPU: 1100.88, 0.00285739/step Wall: 1100.88, 0.00285739/step, 3.66603 hours remaining, 205.800781 MB of memory in use. ENERGY: 381200 764.9398 2097.2579 1962.4669 111.2248 -206167.7437 17581.4820 0.0000 0.0000 34293.5165 -149356.8557 299.4938 -183650.3722 -149258.8935 298.7333 -119.4620 -82.7490 557343.5824 -4.7101 -4.7790 PRESSURE: 381400 -96.05 127.427 185.319 127.427 80.6534 166.175 185.319 166.174 104.724 GPRESSURE: 381400 -59.9522 154.179 148.486 108.473 125.765 159.637 240.195 170.318 117.658 PRESSAVG: 381400 16.4472 21.9332 -7.22136 21.9332 6.3923 -4.23685 -7.22132 -4.23686 -53.6707 GPRESSAVG: 381400 16.1835 19.6542 -5.71215 23.5696 6.52259 -4.80809 -5.91195 -2.52338 -53.2694 TIMING: 381400 CPU: 1101.45, 0.00283976/step Wall: 1101.45, 0.00283976/step, 3.64326 hours remaining, 205.800781 MB of memory in use. ENERGY: 381400 726.3746 2147.5335 1921.1449 117.1724 -206253.3912 17815.4239 0.0000 0.0000 34305.4073 -149220.3346 299.5977 -183525.7420 -149118.2262 299.1871 29.7758 61.1567 557127.2018 -10.2771 -10.1878 PRESSURE: 381600 -124.796 0.00235018 -67.075 0.000676567 64.8629 77.2615 -67.0747 77.2613 -83.9859 GPRESSURE: 381600 -75.2761 11.7863 -21.5215 73.9798 43.9767 118.82 -109.468 55.9311 -13.164 PRESSAVG: 381600 -20.9719 3.26062 51.3356 3.26068 54.1615 1.25978 51.3356 1.25977 -13.4462 GPRESSAVG: 381600 -20.0151 4.50446 50.6508 0.281933 52.9543 0.358221 50.0109 1.82913 -13.2274 TIMING: 381600 CPU: 1102.02, 0.00286099/step Wall: 1102.02, 0.00286099/step, 3.67034 hours remaining, 205.800781 MB of memory in use. ENERGY: 381600 765.1325 2149.1307 1940.6991 108.5216 -206332.9249 17796.9314 0.0000 0.0000 34463.3972 -149109.1123 300.9774 -183572.5095 -149008.9792 300.3249 -47.9728 -14.8211 556113.8854 6.5811 6.5706 PRESSURE: 381800 -130.301 38.7681 -43.4311 38.7689 -223.674 125.601 -43.4302 125.6 -156.326 GPRESSURE: 381800 -116.768 19.9394 -67.1445 -61.745 -207.403 100.068 2.80467 147.752 -79.7637 PRESSAVG: 381800 25.8114 -33.6622 18.2557 -33.6623 -17.2082 54.3689 18.2557 54.3688 -31.6749 GPRESSAVG: 381800 25.3124 -33.6956 17.6652 -32.97 -16.5415 53.1617 17.6255 54.8478 -32.6225 TIMING: 381800 CPU: 1102.59, 0.002851/step Wall: 1102.59, 0.002851/step, 3.65736 hours remaining, 205.800781 MB of memory in use. ENERGY: 381800 738.3364 2086.9348 1939.1249 131.6722 -205714.2949 17322.0001 0.0000 0.0000 34392.6656 -149103.5609 300.3597 -183496.2265 -149002.6335 300.4033 -170.1003 -134.6447 556559.9013 -7.6906 -7.9505 PRESSURE: 382000 33.668 -188.584 152.825 -188.584 -69.6245 -5.46415 152.824 -5.46401 -294.12 GPRESSURE: 382000 59.8877 -154.955 239.214 -228.9 -70.2296 44.0365 112.761 -91.8942 -227.145 PRESSAVG: 382000 -55.9415 -17.7796 16.0901 -17.7795 78.9061 -2.29586 16.09 -2.29605 -32.7124 GPRESSAVG: 382000 -55.5227 -18.2432 17.5387 -16.928 78.7278 -0.929746 18.1158 -3.04208 -32.1584 TIMING: 382000 CPU: 1103.17, 0.00288162/step Wall: 1103.17, 0.00288162/step, 3.69648 hours remaining, 205.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 382000 770.2586 2108.5967 1959.5073 107.0330 -206027.0935 17687.8478 0.0000 0.0000 34398.9066 -148994.9435 300.4142 -183393.8501 -148898.1439 300.0115 -110.0254 -79.1623 557271.6279 -3.2492 -2.9844 PRESSURE: 382200 120.264 0.229753 145.267 0.228508 -116.002 177.431 145.267 177.429 -258.911 GPRESSURE: 382200 125.111 78.504 110.567 -53.9326 -76.119 189.726 73.7461 78.0211 -206.744 PRESSAVG: 382200 16.3832 -36.6936 70.2095 -36.6935 -8.47164 38.3415 70.2095 38.3416 9.5166 GPRESSAVG: 382200 16.7771 -37.9291 69.0444 -35.0891 -8.38197 38.811 69.4008 37.07 9.19333 TIMING: 382200 CPU: 1103.75, 0.00288656/step Wall: 1103.75, 0.00288656/step, 3.70266 hours remaining, 205.937500 MB of memory in use. ENERGY: 382200 729.3441 2106.7304 1928.6535 101.2384 -206060.1667 17664.3951 0.0000 0.0000 34566.2741 -148963.5311 301.8759 -183529.8052 -148853.3645 300.2135 -84.8829 -52.5840 558449.3546 5.8094 5.8628 PRESSURE: 382400 212.033 40.1702 -18.8395 40.1702 86.0157 1.6014 -18.8393 1.60033 -221.827 GPRESSURE: 382400 156.249 93.0612 -125.398 51.8736 156.826 -29.6799 99.0879 -11.0597 -139.585 PRESSAVG: 382400 37.398 -19.2767 9.45944 -19.2767 4.30839 51.0148 9.45941 51.0147 -9.20045 GPRESSAVG: 382400 35.6022 -17.6226 12.2515 -19.397 4.11315 50.3964 7.7145 52.4737 -6.86102 TIMING: 382400 CPU: 1104.32, 0.00287671/step Wall: 1104.32, 0.00287671/step, 3.68985 hours remaining, 205.937500 MB of memory in use. ENERGY: 382400 742.3226 2114.0758 1939.5409 120.1253 -205997.6609 17867.1763 0.0000 0.0000 34215.7039 -148998.7161 298.8143 -183214.4200 -148894.0996 300.2071 25.4072 57.8300 557518.6519 10.8353 10.9514 PRESSURE: 382600 87.8277 136.175 80.3567 136.176 -98.1532 -79.8079 80.3564 -79.8086 -225.387 GPRESSURE: 382600 80.4613 117.79 107.439 121.272 -30.0685 -98.1896 -23.2895 -44.8963 -194.639 PRESSAVG: 382600 35.4642 63.2326 19.9287 63.2327 77.8796 4.79911 19.9288 4.7991 -113.504 GPRESSAVG: 382600 37.1695 61.4921 16.6596 61.4423 79.1099 4.48716 21.5307 5.49646 -115.792 TIMING: 382600 CPU: 1104.9, 0.0028801/step Wall: 1104.9, 0.0028801/step, 3.69405 hours remaining, 205.937500 MB of memory in use. ENERGY: 382600 782.2651 2119.6201 1934.8337 122.4291 -205792.2703 17658.9583 0.0000 0.0000 34172.6955 -149001.4685 298.4386 -183174.1640 -148902.3130 299.4100 -78.5709 -48.0821 557184.3529 -0.0534 0.1623 PRESSURE: 382800 6.60195 8.36176 112.592 8.36243 -345.938 29.4687 112.59 29.4674 -104.953 GPRESSURE: 382800 9.73251 -8.4311 50.0091 50.5151 -315.079 101.749 141.847 13.3431 -37.2039 PRESSAVG: 382800 -19.1534 24.6632 2.697 24.6631 42.4567 -28.9499 2.697 -28.9499 -58.2333 GPRESSAVG: 382800 -19.8596 26.248 3.09408 24.4692 41.8907 -28.1197 2.74173 -30.8604 -56.8941 TIMING: 382800 CPU: 1105.48, 0.00291441/step Wall: 1105.48, 0.00291441/step, 3.7379 hours remaining, 205.937500 MB of memory in use. ENERGY: 382800 749.6796 2116.2204 1937.1705 127.4646 -205521.6044 17496.2820 0.0000 0.0000 34234.9621 -148859.8253 298.9824 -183094.7874 -148767.4854 299.7831 -148.0964 -114.1836 558103.0674 -11.6433 -11.6210 PRESSURE: 383000 -38.8567 38.8704 -94.1263 38.8687 6.65545 4.50533 -94.1256 4.50381 -498.497 GPRESSURE: 383000 6.86601 -26.4023 -153.677 64.7145 0.512312 78.7199 -49.1792 4.61694 -449.577 PRESSAVG: 383000 27.6147 -41.6439 21.0414 -41.6438 41.0968 -14.1041 21.0413 -14.1041 -38.2763 GPRESSAVG: 383000 27.3127 -41.7262 21.2379 -41.9279 41.5633 -14.9894 21.1418 -13.9852 -39.0049 TIMING: 383000 CPU: 1106.06, 0.00289064/step Wall: 1106.06, 0.00289064/step, 3.70725 hours remaining, 205.937500 MB of memory in use. ENERGY: 383000 762.8477 2127.8483 1937.9814 118.4778 -205769.2450 17507.0503 0.0000 0.0000 34369.3026 -148945.7370 300.1557 -183315.0396 -148853.4303 299.7587 -176.8995 -147.3996 558584.6542 10.1451 9.9570 PRESSURE: 383200 -151.531 -70.3669 30.7167 -70.3659 -96.6076 -70.8446 30.7163 -70.8456 -23.6534 GPRESSURE: 383200 -90.8821 -43.6881 73.0259 -22.7497 -7.98705 50.8506 -74.9157 -68.0191 -82.3691 PRESSAVG: 383200 -62.1878 -59.4214 -31.5177 -59.4213 111.599 10.0428 -31.5177 10.0428 -27.009 GPRESSAVG: 383200 -62.4263 -58.7618 -29.016 -58.0031 111.633 9.48214 -31.4679 10.8945 -26.5707 TIMING: 383200 CPU: 1106.64, 0.00288359/step Wall: 1106.64, 0.00288359/step, 3.69804 hours remaining, 205.937500 MB of memory in use. ENERGY: 383200 768.6470 2108.9828 1957.6571 119.3190 -205948.8839 17588.0318 0.0000 0.0000 34438.3270 -148967.9193 300.7585 -183406.2463 -148871.1352 299.8197 -90.5974 -60.4127 557555.5537 7.4675 7.5455 PRESSURE: 383400 -303.144 -83.0814 109.871 -83.0805 -234.063 -69.3881 109.871 -69.3881 -184.684 GPRESSURE: 383400 -297.226 -52.41 45.0176 -107.8 -198.991 -14.9154 123.758 -61.7533 -126.622 PRESSAVG: 383400 -59.3583 -34.7576 33.6365 -34.7575 73.5832 -0.951527 33.6366 -0.951569 -39.3928 GPRESSAVG: 383400 -58.7064 -36.8362 30.8658 -34.2277 72.6767 0.263644 34.525 -1.73316 -39.142 TIMING: 383400 CPU: 1107.21, 0.00286028/step Wall: 1107.21, 0.00286028/step, 3.66799 hours remaining, 205.937500 MB of memory in use. ENERGY: 383400 798.6944 2114.5862 1916.5127 101.7870 -205870.6992 17568.8135 0.0000 0.0000 34279.6125 -149090.6929 299.3724 -183370.3054 -148994.4215 299.3254 -240.6302 -207.6128 558128.6200 -8.3893 -8.3906 PRESSURE: 383600 -204.458 104.313 206.858 104.314 -96.391 -134.172 206.856 -134.171 -119.958 GPRESSURE: 383600 -196.18 22.7331 162.111 130.221 -48.1163 -199.482 233.005 -145.314 -86.9283 PRESSAVG: 383600 -37.7106 -32.133 84.5902 -32.1329 29.4795 -13.123 84.5903 -13.123 32.1368 GPRESSAVG: 383600 -38.723 -31.3544 86.2598 -34.4133 30.9591 -13.2845 83.5849 -11.8201 31.4514 TIMING: 383600 CPU: 1107.78, 0.00287744/step Wall: 1107.78, 0.00287743/step, 3.68983 hours remaining, 205.937500 MB of memory in use. ENERGY: 383600 797.0972 2049.7731 1928.0187 119.8271 -205980.5610 17625.1973 0.0000 0.0000 34290.0909 -149170.5566 299.4639 -183460.6475 -149077.1556 299.8118 -140.2692 -110.4082 557599.2819 7.9686 7.8958 PRESSURE: 383800 -293.619 80.8233 13.4612 80.8244 -60.9514 91.8914 13.4602 91.892 -300.163 GPRESSURE: 383800 -240.937 114.814 8.8688 115.519 -27.376 192.91 32.5531 65.1776 -300.845 PRESSAVG: 383800 31.6316 -48.6824 37.5562 -48.6824 18.8969 -41.2088 37.5562 -41.2088 6.7521 GPRESSAVG: 383800 32.0336 -48.6762 38.1573 -47.8403 18.3046 -42.6057 36.9682 -40.6942 7.36834 TIMING: 383800 CPU: 1108.36, 0.00287927/step Wall: 1108.36, 0.00287927/step, 3.69202 hours remaining, 205.937500 MB of memory in use. ENERGY: 383800 748.8568 2036.7941 1923.5057 119.5752 -205840.8135 17439.3717 0.0000 0.0000 34328.7450 -149243.9649 299.8015 -183572.7099 -149148.6445 299.9874 -218.2448 -189.7194 557387.7197 19.0935 19.2355 PRESSURE: 384000 -83.6055 -41.2116 -53.969 -41.2107 -65.7378 57.266 -53.968 57.2656 -270.095 GPRESSURE: 384000 -39.536 -62.5241 4.61292 -56.3518 -18.6945 102.01 -74.026 -45.8018 -265.726 PRESSAVG: 384000 -75.2826 38.8863 24.1104 38.8864 12.0116 24.3344 24.1103 24.3345 49.2652 GPRESSAVG: 384000 -74.1798 38.6779 24.1449 38.6643 12.1798 23.6383 25.4699 24.255 48.6919 TIMING: 384000 CPU: 1108.93, 0.00284918/step Wall: 1108.93, 0.00284918/step, 3.65328 hours remaining, 205.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 384000 750.5888 2086.2850 1948.5657 112.6749 -206494.9953 17955.6182 0.0000 0.0000 34363.6107 -149277.6519 300.1060 -183641.2627 -149177.3001 299.1258 -139.8127 -107.9854 557421.0756 -4.6686 -4.4360 PRESSURE: 384200 -154.223 7.66404 130.726 7.664 -29.2436 -31.9353 130.726 -31.9366 136.267 GPRESSURE: 384200 -103.531 -51.5442 40.2038 62.6831 -32.6547 -20.2017 152.231 -30.0204 186.204 PRESSAVG: 384200 22.0981 28.8017 20.0797 28.8017 -23.5395 40.3696 20.0798 40.3697 7.27393 GPRESSAVG: 384200 20.3611 28.9343 18.5276 29.6593 -23.1571 42.6785 20.8727 39.3604 8.45414 TIMING: 384200 CPU: 1109.5, 0.0028578/step Wall: 1109.5, 0.0028578/step, 3.66417 hours remaining, 205.937500 MB of memory in use. ENERGY: 384200 749.7614 2090.8939 1930.4114 123.9046 -205973.1200 17856.6688 0.0000 0.0000 34235.7500 -148985.7300 298.9893 -183221.4799 -148886.9973 300.0228 -15.7332 16.6729 558057.4628 1.9442 1.8860 LDB: ============= START OF LOAD BALANCING ============== 1112.88 LDB: ============== END OF LOAD BALANCING =============== 1112.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1112.89 LDB: ============= START OF LOAD BALANCING ============== 1113.17 LDB: Largest compute 4822 load 0.027063 is 23.0% of average load 0.117791 LDB: Average compute 0.001727 is 1.5% of average load 0.117791 LDB: TIME 1113.17 LOAD: AVG 0.117791 MAX 0.17883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 1113.17 LOAD: AVG 0.117791 MAX 0.17883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.156 MB LDB: TIME 1113.17 LOAD: AVG 0.117791 MAX 0.17883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1113.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1113.18 PRESSURE: 384400 67.7251 54.3886 -206.26 54.3884 -321.684 47.862 -206.258 47.862 -259.163 GPRESSURE: 384400 131.349 60.7634 -202.564 104.468 -323.938 -65.1383 -208.251 89.2439 -241.29 PRESSAVG: 384400 -20.7734 27.7279 0.388724 27.7278 5.63114 -12.3126 0.388717 -12.3125 19.2041 GPRESSAVG: 384400 -20.1614 27.9032 1.40801 26.3742 4.74016 -13.1488 -1.31641 -11.7501 19.6434 TIMING: 384400 CPU: 1110.08, 0.00290379/step Wall: 1110.08, 0.00290379/step, 3.72298 hours remaining, 204.519531 MB of memory in use. ENERGY: 384400 774.9738 2095.5116 1966.7266 113.6359 -205954.4986 17683.0288 0.0000 0.0000 34394.1024 -148926.5194 300.3723 -183320.6218 -148831.8333 300.2708 -171.0404 -144.6262 557971.4190 1.3539 1.4074 PRESSURE: 384600 75.692 179.917 -175.138 179.916 71.6624 -134.903 -175.139 -134.903 113.027 GPRESSURE: 384600 52.7093 159.588 -196.372 83.2006 151.229 -184.161 -127.116 -126.53 154.747 PRESSAVG: 384600 16.4334 38.9486 -10.2923 38.9487 -39.4614 41.0467 -10.2923 41.0467 26.5676 GPRESSAVG: 384600 16.1162 40.7259 -10.6435 40.986 -38.5085 41.462 -11.2788 40.9034 26.0331 TIMING: 384600 CPU: 1110.65, 0.00285755/step Wall: 1110.65, 0.00285755/step, 3.66354 hours remaining, 204.519531 MB of memory in use. ENERGY: 384600 761.0731 2072.6647 1935.7293 112.0096 -205935.5468 17831.7020 0.0000 0.0000 34497.0985 -148725.2696 301.2717 -183222.3682 -148629.5633 300.5428 86.7939 119.5619 557751.6943 1.1799 1.2136 PRESSURE: 384800 -173.146 -186.017 -28.0103 -186.018 34.7206 -10.1523 -28.0092 -10.1515 -258.482 GPRESSURE: 384800 -221.832 -201.261 -89.2823 -143.945 123.329 -73.8629 -11.318 29.7463 -204.703 PRESSAVG: 384800 -106.487 30.2477 1.91772 30.2476 26.979 4.13402 1.91767 4.13412 91.0989 GPRESSAVG: 384800 -105.912 29.4875 0.446141 29.2356 25.9396 2.28838 2.49021 4.81905 91.6525 TIMING: 384800 CPU: 1111.22, 0.00284857/step Wall: 1111.22, 0.00284857/step, 3.65187 hours remaining, 204.519531 MB of memory in use. ENERGY: 384800 737.7269 2086.8246 1919.6628 118.8458 -205554.3242 17444.8359 0.0000 0.0000 34329.0987 -148917.3296 299.8046 -183246.4283 -148817.0209 300.2359 -132.3024 -101.0684 557227.4052 3.8636 3.8934 PRESSURE: 385000 42.7888 82.885 79.6544 82.8848 -2.89997 -269.218 79.654 -269.22 -365.575 GPRESSURE: 385000 50.1046 225.077 61.3001 -38.8945 29.3368 -292.112 140.756 -225.265 -313.559 PRESSAVG: 385000 -19.2807 -23.9817 -63.378 -23.9817 3.83366 5.85588 -63.378 5.85586 23.8474 GPRESSAVG: 385000 -19.5629 -22.356 -61.0403 -24.8044 4.56552 3.47286 -62.6736 6.93674 23.6385 TIMING: 385000 CPU: 1111.8, 0.00286235/step Wall: 1111.8, 0.00286235/step, 3.66937 hours remaining, 204.519531 MB of memory in use. ENERGY: 385000 725.7986 2106.1806 1938.1140 114.5736 -205935.3332 17659.9358 0.0000 0.0000 34441.8745 -148948.8562 300.7895 -183390.7306 -148856.5250 299.7704 -108.5622 -78.0392 556771.5298 2.8001 2.8804 PRESSURE: 385200 -169.453 75.9853 -158.753 75.9839 -153.204 -76.2879 -158.753 -76.2875 -228.036 GPRESSURE: 385200 -115.075 128.723 -209.739 37.9376 -112.063 -35.9474 -192.289 -78.0969 -217.119 PRESSAVG: 385200 -26.0007 32.1995 -10.5572 32.1996 -10.9954 -5.04209 -10.5573 -5.04218 61.6271 GPRESSAVG: 385200 -26.797 30.3375 -10.5539 32.913 -10.439 -0.59576 -12.0658 -7.41377 61.7998 TIMING: 385200 CPU: 1112.37, 0.00284665/step Wall: 1112.37, 0.00284665/step, 3.64909 hours remaining, 204.519531 MB of memory in use. ENERGY: 385200 792.5323 2059.3528 1935.6254 120.4155 -205955.3413 17684.5012 0.0000 0.0000 34387.5506 -148975.3635 300.3150 -183362.9141 -148875.5896 300.2655 -183.5644 -148.0856 559277.7165 8.2103 8.1879 PRESSURE: 385400 -66.0508 -26.4591 -21.207 -26.4587 -121.331 -5.36984 -21.207 -5.37081 75.1132 GPRESSURE: 385400 -58.6602 -53.4201 33.3458 -40.645 -16.473 28.319 -50.5789 -10.4135 49.3932 PRESSAVG: 385400 11.8489 -22.5151 -24.1507 -22.515 7.40957 -3.17264 -24.1507 -3.17266 -27.3044 GPRESSAVG: 385400 13.4843 -23.134 -25.0075 -21.4002 5.92521 -4.94794 -23.4606 -2.71447 -27.2756 TIMING: 385400 CPU: 1112.94, 0.00287147/step Wall: 1112.94, 0.00287147/step, 3.68074 hours remaining, 204.519531 MB of memory in use. ENERGY: 385400 765.7504 2092.6812 1943.4732 113.9038 -205775.9569 17657.3162 0.0000 0.0000 34235.9614 -148966.8706 298.9912 -183202.8321 -148874.6944 300.4543 -37.4227 -8.5800 557947.0446 -2.6820 -2.6220 PRESSURE: 385600 -170.297 117.516 135.695 117.516 -149.654 140.156 135.696 140.157 -103.455 GPRESSURE: 385600 -163.314 75.9867 156.058 77.9573 -95.6848 147.371 171.043 148.453 -67.0495 PRESSAVG: 385600 -33.1284 -17.5756 37.75 -17.5755 3.66272 43.8491 37.75 43.8491 3.90508 GPRESSAVG: 385600 -33.9682 -15.3667 36.0152 -19.2522 4.65415 42.9465 39.2076 43.8442 3.18159 TIMING: 385600 CPU: 1113.52, 0.00289075/step Wall: 1113.52, 0.00289075/step, 3.70529 hours remaining, 204.519531 MB of memory in use. ENERGY: 385600 697.0794 2075.2557 1943.1267 105.4863 -205629.3820 17485.0137 0.0000 0.0000 34326.2022 -148997.2180 299.7793 -183323.4202 -148905.6089 299.6057 -141.1352 -108.6829 558869.6389 -8.5202 -8.7108 PRESSURE: 385800 -26.8829 -115.51 13.3737 -115.51 262.85 50.7047 13.3731 50.7044 144.795 GPRESSURE: 385800 26.8547 -156.877 -19.0081 -30.3161 300.614 51.4414 19.8207 92.6871 158.554 PRESSAVG: 385800 13.8224 24.4708 26.8729 24.4709 -26.7849 -9.03285 26.873 -9.03279 15.9939 GPRESSAVG: 385800 14.1087 21.4033 27.8961 24.5876 -27.1345 -7.42932 25.2674 -8.5061 15.7592 TIMING: 385800 CPU: 1114.11, 0.00293683/step Wall: 1114.11, 0.00293683/step, 3.7642 hours remaining, 204.519531 MB of memory in use. ENERGY: 385800 735.8144 2118.3546 1928.2949 121.2805 -206377.0360 17975.0370 0.0000 0.0000 34507.7608 -148990.4938 301.3649 -183498.2546 -148897.7388 299.5377 126.9207 162.0076 556774.4924 1.0105 0.9111 PRESSURE: 386000 -255.634 12.8844 -34.6876 12.885 -155.015 115.712 -34.6859 115.712 -48.6714 GPRESSURE: 386000 -208.564 -21.4711 19.4146 -11.7584 -117.739 29.1705 -2.97424 166.487 -21.7319 PRESSAVG: 386000 -23.0395 -15.8725 16.3733 -15.8726 4.51896 24.1063 16.3734 24.1063 29.7247 GPRESSAVG: 386000 -24.4056 -14.5368 17.6578 -16.9583 5.75949 22.8319 14.6625 23.3231 29.7628 TIMING: 386000 CPU: 1114.68, 0.00288238/step Wall: 1114.68, 0.00288238/step, 3.69425 hours remaining, 204.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 386000 760.3064 2093.3355 1946.2655 112.6211 -205958.3890 17610.5631 0.0000 0.0000 34594.2713 -148841.0260 302.1204 -183435.2974 -148740.6933 299.4581 -153.1070 -116.0119 558373.4609 3.7347 3.7055 PRESSURE: 386200 -48.2496 -10.8194 29.7402 -10.8201 -47.0023 -72.369 29.7402 -72.3671 69.8192 GPRESSURE: 386200 -10.3788 -36.7211 -14.2694 -17.2229 -8.6464 -36.9197 12.8305 -122.5 101.299 PRESSAVG: 386200 30.2628 -8.36673 -3.02048 -8.36671 -107.493 -19.0623 -3.0205 -19.0622 47.0607 GPRESSAVG: 386200 31.5342 -8.27471 -4.18153 -7.34651 -108.398 -18.2631 -2.03393 -18.9691 46.8038 TIMING: 386200 CPU: 1115.27, 0.00291746/step Wall: 1115.27, 0.00291746/step, 3.73905 hours remaining, 204.519531 MB of memory in use. ENERGY: 386200 736.9032 2064.9083 1944.6026 116.1796 -205607.9534 17587.4037 0.0000 0.0000 34324.2073 -148833.7487 299.7618 -183157.9560 -148738.7432 300.6883 -8.4776 27.4245 558289.5403 -10.0564 -10.0198 PRESSURE: 386400 40.8539 -47.4081 93.8301 -47.4072 -181.209 -65.1875 93.8302 -65.1869 -220.133 GPRESSURE: 386400 101.319 -85.0164 59.3182 28.312 -149.857 -70.9339 142.665 -29.0573 -218.735 PRESSAVG: 386400 6.59464 35.9143 21.0899 35.9143 49.2255 -24.8157 21.0899 -24.8157 -17.2378 GPRESSAVG: 386400 6.70497 38.2222 22.1528 35.3134 49.4223 -24.5455 21.4361 -24.06 -17.5976 TIMING: 386400 CPU: 1115.84, 0.00288855/step Wall: 1115.84, 0.00288855/step, 3.70183 hours remaining, 204.519531 MB of memory in use. ENERGY: 386400 727.6367 2087.3413 1932.9603 126.0362 -205528.7729 17405.5951 0.0000 0.0000 34257.8086 -148991.3946 299.1820 -183249.2033 -148897.1146 299.6985 -120.1628 -89.0911 558357.6323 12.8608 12.8432 PRESSURE: 386600 -230.413 -210.189 -71.4575 -210.189 176.912 22.8086 -71.4579 22.809 -121.642 GPRESSURE: 386600 -213.004 -138.833 -86.0713 -202.002 140.907 41.9235 -54.0802 14.7517 -10.9139 PRESSAVG: 386600 25.2263 -54.9452 25.1123 -54.9452 9.98356 -56.8677 25.1122 -56.8677 -60.0797 GPRESSAVG: 386600 24.9119 -57.0641 25.3729 -54.9186 9.98588 -59.1299 23.4827 -55.8017 -60.1573 TIMING: 386600 CPU: 1116.42, 0.00287748/step Wall: 1116.42, 0.00287748/step, 3.6875 hours remaining, 204.519531 MB of memory in use. ENERGY: 386600 762.5645 2089.3602 1939.0977 117.6655 -205733.4195 17603.3661 0.0000 0.0000 34394.7155 -148826.6500 300.3776 -183221.3655 -148739.9218 299.9168 -58.3808 -27.6706 558916.8366 -8.2899 -8.4198 PRESSURE: 386800 -347.286 -191.081 21.9694 -191.082 -84.2886 -13.4383 21.9696 -13.4412 -114.519 GPRESSURE: 386800 -316.717 -238.617 -22.1605 -141.388 -64.4909 17.8648 -19.5248 -56.2467 -75.0549 PRESSAVG: 386800 -50.1113 12.7651 -37.6107 12.7651 59.9796 14.6032 -37.6107 14.6033 -42.9011 GPRESSAVG: 386800 -52.026 11.266 -39.0789 12.7722 60.4912 15.2002 -36.375 11.5022 -41.7159 TIMING: 386800 CPU: 1117, 0.00288331/step Wall: 1117, 0.00288331/step, 3.6948 hours remaining, 204.519531 MB of memory in use. ENERGY: 386800 756.3802 2092.7596 1937.5029 111.2573 -205612.6997 17549.4837 0.0000 0.0000 34323.4439 -148841.8721 299.7552 -183165.3160 -148745.7070 300.4104 -182.0312 -152.0877 557825.2450 -11.0109 -11.0836 PRESSURE: 387000 -126.124 135.803 51.1203 135.804 -411.073 83.6425 51.12 83.6437 -196.605 GPRESSURE: 387000 -27.0659 119.538 124.979 97.1972 -429.634 76.8133 4.11609 160.816 -181.257 PRESSAVG: 387000 -50.0197 76.6865 19.2474 76.6865 21.5004 -3.83491 19.2474 -3.83486 46.4903 GPRESSAVG: 387000 -48.9555 78.5516 18.8286 75.8073 20.6543 -1.51177 20.4031 -2.01259 46.2487 TIMING: 387000 CPU: 1117.57, 0.00288612/step Wall: 1117.57, 0.00288612/step, 3.69825 hours remaining, 204.519531 MB of memory in use. ENERGY: 387000 755.4265 2068.4751 1963.9333 107.3322 -205458.5654 17313.0585 0.0000 0.0000 34334.9998 -148915.3401 299.8561 -183250.3398 -148815.5991 300.1956 -244.6009 -212.6522 558000.8391 5.9903 5.9825 PRESSURE: 387200 -358.054 55.8152 -88.6694 55.815 -156.951 -18.4018 -88.6702 -18.3996 -209.46 GPRESSURE: 387200 -383.994 34.477 -116.533 -50.4386 -136.291 -56.9143 -100.19 91.4093 -107.021 PRESSAVG: 387200 35.5758 53.3814 17.3453 53.3813 14.4926 -5.78511 17.3453 -5.78507 -5.07155 GPRESSAVG: 387200 34.6059 52.1831 20.2765 54.0211 13.7672 -8.47551 15.898 -6.70174 -3.90005 TIMING: 387200 CPU: 1118.15, 0.00288674/step Wall: 1118.15, 0.00288674/step, 3.69887 hours remaining, 204.519531 MB of memory in use. ENERGY: 387200 749.6372 2072.3398 1925.9915 134.4948 -205443.9387 17344.9288 0.0000 0.0000 34311.1195 -148905.4272 299.6475 -183216.5467 -148801.9723 300.1699 -241.4884 -209.1023 557850.4530 14.9990 14.8243 PRESSURE: 387400 47.5708 21.5393 70.9946 21.54 -77.0987 54.4866 70.9945 54.4863 -21.8965 GPRESSURE: 387400 83.2396 10.4057 83.8788 -6.68577 -64.5261 -3.53358 55.3914 78.9947 18.1 PRESSAVG: 387400 -58.2484 -44.4384 35.0565 -44.4384 38.3303 8.49708 35.0565 8.49715 22.5922 GPRESSAVG: 387400 -57.7989 -42.8223 35.3478 -45.4535 39.4472 11.2646 35.6737 7.66323 20.9838 TIMING: 387400 CPU: 1118.73, 0.00289879/step Wall: 1118.73, 0.00289879/step, 3.71415 hours remaining, 204.519531 MB of memory in use. ENERGY: 387400 735.3627 2068.6814 1939.4135 114.3139 -206147.6838 17819.8823 0.0000 0.0000 34303.4118 -149166.6182 299.5802 -183470.0300 -149066.0342 299.8408 -17.1415 12.2712 556842.9648 0.8914 0.8774 PRESSURE: 387600 -4.55891 -68.601 -72.4032 -68.601 110.958 53.9963 -72.4033 53.9963 -114.659 GPRESSURE: 387600 42.173 -72.3339 -148.161 -89.974 82.8291 131.388 -18.4573 -28.0997 -30.5716 PRESSAVG: 387600 -52.8855 -17.285 33.9641 -17.2851 -25.3797 -23.3049 33.964 -23.3049 90.5662 GPRESSAVG: 387600 -52.9696 -20.0872 32.0681 -14.4122 -25.4434 -24.6004 33.2144 -24.2485 90.7522 TIMING: 387600 CPU: 1119.3, 0.00287262/step Wall: 1119.3, 0.00287262/step, 3.68047 hours remaining, 204.519531 MB of memory in use. ENERGY: 387600 740.1553 2062.8890 1931.6140 109.4145 -206120.6357 17881.8579 0.0000 0.0000 34287.6390 -149107.0660 299.4425 -183394.7050 -149011.1070 299.2312 -2.7534 31.4768 557238.6095 4.1003 4.1131 PRESSURE: 387800 -77.8265 -30.7433 106.666 -30.7431 -83.5818 -188.292 106.666 -188.291 22.9378 GPRESSURE: 387800 -3.89672 28.4741 163.088 27.76 -64.8432 -111.013 79.0241 -149.636 25.4851 PRESSAVG: 387800 -52.8932 5.26656 -35.5524 5.2666 -14.1395 -12.206 -35.5524 -12.2061 36.0359 GPRESSAVG: 387800 -51.9103 5.77844 -36.9951 5.90386 -14.8076 -9.83206 -34.7078 -12.0509 36.3024 TIMING: 387800 CPU: 1119.89, 0.00291261/step Wall: 1119.89, 0.00291261/step, 3.73154 hours remaining, 204.519531 MB of memory in use. ENERGY: 387800 723.3308 2155.9737 1933.9620 101.0089 -205826.7900 17597.2288 0.0000 0.0000 34331.5334 -148983.7524 299.8258 -183315.2858 -148886.2211 300.0572 -46.1568 -14.4183 556928.8845 -10.3323 -10.1385 PRESSURE: 388000 -107.762 -102.072 61.9414 -102.073 -108.48 149.82 61.94 149.822 -181.946 GPRESSURE: 388000 5.40292 -35.4023 30.5504 -145.378 -127.884 94.5079 95.2454 257.624 -179.967 PRESSAVG: 388000 2.00562 -21.3652 9.88877 -21.3653 -58.555 -25.8386 9.88878 -25.8387 53.6255 GPRESSAVG: 388000 2.6951 -19.4273 9.90784 -23.405 -58.8824 -27.2284 10.8287 -24.3055 54.4347 TIMING: 388000 CPU: 1120.46, 0.00288189/step Wall: 1120.46, 0.00288189/step, 3.69202 hours remaining, 204.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 388000 723.0263 2136.1402 1957.1138 129.0666 -205533.6058 17523.9802 0.0000 0.0000 34166.6504 -148897.6282 298.3859 -183064.2786 -148801.8121 300.2274 -132.7295 -100.8161 559076.2266 -0.9746 -0.5842 PRESSURE: 388200 -39.7616 -93.9561 -15.4628 -93.9573 -294.793 -2.47293 -15.4635 -2.47304 105.134 GPRESSURE: 388200 34.7756 -86.448 -32.556 -160.012 -263.166 57.6159 -34.5755 48.1 105.417 PRESSAVG: 388200 -35.7336 13.0782 32.023 13.0781 -16.2804 10.7838 32.0229 10.7838 37.2354 GPRESSAVG: 388200 -35.6376 13.3815 34.2928 12.4009 -15.8497 11.2851 29.9574 10.2583 36.829 TIMING: 388200 CPU: 1121.04, 0.00288234/step Wall: 1121.04, 0.00288234/step, 3.69244 hours remaining, 204.519531 MB of memory in use. ENERGY: 388200 735.7968 2105.4001 1941.9314 119.6104 -205974.2655 17593.5041 0.0000 0.0000 34438.4767 -149039.5460 300.7598 -183478.0227 -148945.4595 299.7737 -76.4736 -40.9912 558886.9970 -4.9262 -4.8861 LDB: ============= START OF LOAD BALANCING ============== 1124.43 LDB: ============== END OF LOAD BALANCING =============== 1124.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1124.43 LDB: ============= START OF LOAD BALANCING ============== 1124.72 LDB: Largest compute 4822 load 0.025998 is 22.1% of average load 0.117790 LDB: Average compute 0.001725 is 1.5% of average load 0.117790 LDB: TIME 1124.72 LOAD: AVG 0.11779 MAX 0.177972 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.055 MB LDB: TIME 1124.72 LOAD: AVG 0.11779 MAX 0.177972 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.258 MB LDB: TIME 1124.72 LOAD: AVG 0.11779 MAX 0.177972 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1124.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1124.73 PRESSURE: 388400 -163.36 -40.9925 47.5018 -40.9915 -16.7428 -68.9142 47.5017 -68.9156 -255.354 GPRESSURE: 388400 -97.1651 -8.12091 48.6612 16.6719 -17.8923 -45.8768 4.5806 -138.968 -230.983 PRESSAVG: 388400 -33.7287 6.90439 41.1363 6.90438 32.0157 -41.287 41.1363 -41.287 -44.4266 GPRESSAVG: 388400 -35.7984 5.49451 37.7483 7.37528 32.4185 -40.5661 44.2437 -40.7433 -43.653 TIMING: 388400 CPU: 1121.63, 0.00295359/step Wall: 1121.63, 0.00295359/step, 3.78355 hours remaining, 205.597656 MB of memory in use. ENERGY: 388400 763.5679 2120.0182 1939.7629 106.7201 -205676.7854 17511.9314 0.0000 0.0000 34243.0550 -148991.7299 299.0531 -183234.7849 -148899.0008 299.3686 -145.1521 -115.3469 559871.0485 -15.3799 -15.6776 PRESSURE: 388600 218.768 74.6784 78.096 74.678 250.809 -71.0542 78.0955 -71.0537 31.7391 GPRESSURE: 388600 281.479 69.4785 112.92 129.63 217.418 -68.8581 126.985 -83.3695 99.529 PRESSAVG: 388600 -71.932 15.826 15.6292 15.826 19.9227 -5.03945 15.6293 -5.03963 50.4078 GPRESSAVG: 388600 -70.6226 19.0072 16.9502 16.3169 18.9881 -5.83275 15.5584 -6.74582 50.0812 TIMING: 388600 CPU: 1122.21, 0.00288289/step Wall: 1122.21, 0.00288289/step, 3.69282 hours remaining, 205.597656 MB of memory in use. ENERGY: 388600 743.5843 2083.8750 1968.9807 115.2683 -206455.0474 18100.9473 0.0000 0.0000 34593.0292 -148849.3627 302.1095 -183442.3919 -148754.0332 300.4478 167.1051 199.4752 556341.8059 -0.5338 -0.5178 PRESSURE: 388800 -234.368 0.58107 -91.304 0.582104 -235.372 50.7734 -91.3043 50.773 -147.154 GPRESSURE: 388800 -220.348 -35.7249 -115.912 -6.01247 -254.384 14.8316 -90.5585 86.9951 -40.2133 PRESSAVG: 388800 21.2101 -10.8971 -35.7342 -10.8971 -15.3313 -7.1995 -35.7342 -7.19946 31.026 GPRESSAVG: 388800 21.4449 -14.03 -35.2988 -9.72342 -15.3002 -7.37164 -37.1321 -4.6404 30.8692 TIMING: 388800 CPU: 1122.78, 0.00286144/step Wall: 1122.78, 0.00286144/step, 3.66519 hours remaining, 205.597656 MB of memory in use. ENERGY: 388800 744.4383 2075.5651 1973.4507 134.8009 -205755.9408 17541.7849 0.0000 0.0000 34266.2568 -149019.6441 299.2557 -183285.9009 -148918.2069 300.6014 -205.6314 -171.6484 559003.5652 12.3016 12.3380 PRESSURE: 389000 -180.581 317.804 -72.5756 317.804 156.577 117.081 -72.5758 117.081 245.676 GPRESSURE: 389000 -133.057 243.331 -13.886 319.02 161.215 76.7575 -153.035 214.231 276.367 PRESSAVG: 389000 -20.9653 12.0818 6.67727 12.0819 46.0738 25.8088 6.67732 25.8088 18.4267 GPRESSAVG: 389000 -21.0514 11.9944 5.68983 11.4125 46.6037 24.584 5.20677 24.7036 18.3815 TIMING: 389000 CPU: 1123.36, 0.00289806/step Wall: 1123.36, 0.00289806/step, 3.71193 hours remaining, 205.597656 MB of memory in use. ENERGY: 389000 755.6840 2031.3412 1924.3906 119.6300 -206235.6192 17982.0572 0.0000 0.0000 34356.4420 -149066.0743 300.0434 -183422.5163 -148965.9288 299.3056 73.8904 101.5083 558382.5897 14.5117 14.6446 PRESSURE: 389200 -111.973 -22.2262 -96.4543 -22.2261 38.6867 6.2698 -96.4547 6.26962 -54.0199 GPRESSURE: 389200 -96.9679 51.3674 -79.9581 4.77097 90.1752 24.6374 -50.9161 -10.2049 -23.3183 PRESSAVG: 389200 -9.74404 32.9839 30.9731 32.9838 27.3782 32.0945 30.9731 32.0946 -20.0352 GPRESSAVG: 389200 -8.75811 34.3665 33.0649 31.7718 26.7144 34.9399 31.0105 31.7481 -20.1573 TIMING: 389200 CPU: 1123.94, 0.00288818/step Wall: 1123.94, 0.00288818/step, 3.69911 hours remaining, 205.597656 MB of memory in use. ENERGY: 389200 735.3893 2059.5237 1947.0607 107.0672 -205895.0740 17667.0658 0.0000 0.0000 34254.0436 -149124.9236 299.1491 -183378.9672 -149033.2496 300.6671 -42.4353 -10.0370 559020.3692 -0.8004 -0.7337 PRESSURE: 389400 -183.589 -5.86066 -51.0347 -5.86045 103.327 -12.3576 -51.0348 -12.3591 -132.474 GPRESSURE: 389400 -135.746 -24.7091 -39.5634 -54.4999 134.508 5.00445 -48.3092 -5.58682 -108.48 PRESSAVG: 389400 9.97895 16.779 -92.4691 16.779 30.5437 -32.0615 -92.4692 -32.0615 -64.6045 GPRESSAVG: 389400 9.60992 16.7707 -92.4452 17.538 31.2738 -34.2199 -91.843 -31.6195 -64.6792 TIMING: 389400 CPU: 1124.51, 0.00286542/step Wall: 1124.51, 0.00286542/step, 3.66981 hours remaining, 205.597656 MB of memory in use. ENERGY: 389400 757.1946 2023.2462 1954.0660 107.1385 -205753.6100 17641.7143 0.0000 0.0000 34168.6103 -149101.6401 298.4030 -183270.2504 -149003.8275 299.1942 -70.9120 -36.5727 559641.3303 -8.0273 -7.9318 PRESSURE: 389600 -117.697 211.642 46.0075 211.643 43.1492 -171.655 46.0071 -171.654 -35.093 GPRESSURE: 389600 -132.948 230.349 -58.894 107.065 109.764 -154.46 62.0184 -66.9288 2.46046 PRESSAVG: 389600 26.7737 -12.5322 2.04249 -12.5322 -17.0774 -8.32874 2.04241 -8.32873 -2.33213 GPRESSAVG: 389600 26.8041 -13.0562 0.499703 -12.9405 -16.9381 -7.6555 1.46714 -7.3861 -2.82048 TIMING: 389600 CPU: 1125.08, 0.00286265/step Wall: 1125.08, 0.00286265/step, 3.6661 hours remaining, 205.597656 MB of memory in use. ENERGY: 389600 704.2129 2117.1605 1928.5040 99.6218 -206376.6741 17838.0076 0.0000 0.0000 34483.3080 -149205.8594 301.1513 -183689.1674 -149110.2428 299.8855 -36.5470 -6.9078 559431.8893 2.4547 2.3485 PRESSURE: 389800 -276.835 87.9 -80.9398 87.9001 -88.3214 214.031 -80.9393 214.03 135.746 GPRESSURE: 389800 -287.594 167.196 -18.5536 95.2392 -11.9213 172.564 -13.1082 247.956 159.059 PRESSAVG: 389800 -59.8509 50.6544 -0.28829 50.6545 55.4457 -12.0317 -0.288259 -12.0317 30.0883 GPRESSAVG: 389800 -61.3535 49.6593 2.03712 51.5205 55.0338 -12.9388 -0.713711 -12.6896 31.4567 TIMING: 389800 CPU: 1125.66, 0.0028772/step Wall: 1125.66, 0.0028772/step, 3.68457 hours remaining, 205.597656 MB of memory in use. ENERGY: 389800 739.2728 2057.2000 1940.1173 104.0893 -205992.5857 17720.6873 0.0000 0.0000 34321.5094 -149109.7096 299.7383 -183431.2191 -149012.7548 299.5840 -76.4700 -46.8187 557825.9868 8.5610 8.3790 PRESSURE: 390000 -50.4609 114.216 155.716 114.217 -123.156 42.597 155.715 42.5982 289.571 GPRESSURE: 390000 15.9588 116.535 230.156 58.965 -92.5209 19.3189 178.47 15.3838 274.117 PRESSAVG: 390000 -42.2588 20.5286 45.9284 20.5285 21.662 10.2013 45.9284 10.2014 34.5205 GPRESSAVG: 390000 -41.1446 20.3299 43.3326 19.7284 21.577 10.6199 47.3244 9.5578 33.9256 TIMING: 390000 CPU: 1126.23, 0.0028747/step Wall: 1126.23, 0.0028747/step, 3.68121 hours remaining, 205.597656 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: 390000 737.5855 2063.2150 1936.9425 129.1454 -205660.4662 17582.7486 0.0000 0.0000 33981.8921 -149228.9371 296.7723 -183210.8292 -149134.5643 299.7879 38.6513 65.8516 557059.7144 4.6412 4.7860 PRESSURE: 390200 -120.328 -57.6781 -76.4503 -57.6786 -74.4045 84.3539 -76.451 84.3538 -166.164 GPRESSURE: 390200 -57.3495 -45.657 -83.6586 -71.0393 -83.2895 137.252 4.37386 35.6722 -112.14 PRESSAVG: 390200 6.76993 -23.7387 -8.80486 -23.7388 -16.2772 22.2106 -8.80484 22.2107 -10.3597 GPRESSAVG: 390200 5.40683 -21.8477 -7.94884 -22.41 -13.799 24.021 -9.67859 23.6197 -12.1629 TIMING: 390200 CPU: 1126.81, 0.0028736/step Wall: 1126.81, 0.0028736/step, 3.67964 hours remaining, 205.597656 MB of memory in use. ENERGY: 390200 734.5846 2016.2669 1964.8612 120.3745 -205760.0848 17577.7093 0.0000 0.0000 34236.9969 -149109.2914 299.0002 -183346.2883 -149012.2796 299.4540 -120.2991 -84.2598 557384.7970 -6.6223 -6.8517 PRESSURE: 390400 1.24799 10.4365 200.677 10.4364 23.2807 -198.564 200.676 -198.565 7.88982 GPRESSURE: 390400 50.4383 40.5037 225.016 -55.5441 62.2902 -254.874 180.157 -113.157 21.5211 PRESSAVG: 390400 79.4259 2.06128 -19.6941 2.06123 -40.6535 -21.6069 -19.6941 -21.6068 -27.2163 GPRESSAVG: 390400 81.2038 2.32835 -20.9803 -0.463435 -42.3871 -23.2176 -17.1711 -21.6765 -26.7717 TIMING: 390400 CPU: 1127.39, 0.00289702/step Wall: 1127.39, 0.00289702/step, 3.70948 hours remaining, 205.597656 MB of memory in use. ENERGY: 390400 744.5513 2055.0884 1947.1562 108.0049 -206529.5318 17983.0534 0.0000 0.0000 34431.5057 -149260.1718 300.6989 -183691.6775 -149163.1212 299.3137 10.8062 44.7499 558644.8993 3.8520 4.0150 PRESSURE: 390600 -55.1759 -72.1289 55.9522 -72.1302 193.458 91.6896 55.951 91.687 6.01169 GPRESSURE: 390600 -24.4407 -44.7112 -12.7528 -71.0803 205.005 115.656 84.6497 40.7712 53.6613 PRESSAVG: 390600 34.3113 -52.1875 -47.8611 -52.1876 -36.5655 -43.006 -47.8611 -43.0061 -19.2163 GPRESSAVG: 390600 34.348 -52.7664 -46.9434 -51.1932 -37.1474 -43.4683 -49.4198 -43.7155 -18.3067 TIMING: 390600 CPU: 1127.96, 0.0028816/step Wall: 1127.96, 0.0028816/step, 3.68957 hours remaining, 205.597656 MB of memory in use. ENERGY: 390600 762.5819 2104.9456 1940.3805 109.7375 -206426.8125 17998.4385 0.0000 0.0000 34247.5154 -149263.2131 299.0921 -183510.7285 -149166.8167 299.8784 48.0978 78.0753 557926.0571 -7.1568 -7.0354 PRESSURE: 390800 41.0561 26.7537 35.115 26.7532 315.062 46.1997 35.1151 46.2009 57.0187 GPRESSURE: 390800 127.122 5.67693 -42.4011 35.6733 328.129 88.6578 22.0058 84.0364 61.1224 PRESSAVG: 390800 -54.1176 -59.1128 -56.8576 -59.1129 53.1001 13.8675 -56.8576 13.8675 3.04402 GPRESSAVG: 390800 -54.8049 -60.0787 -57.9351 -58.3142 54.2783 15.5442 -55.8966 11.6771 1.91649 TIMING: 390800 CPU: 1128.54, 0.00287915/step Wall: 1128.54, 0.00287915/step, 3.68627 hours remaining, 205.597656 MB of memory in use. ENERGY: 390800 758.4155 2083.8858 1923.2658 95.4800 -206512.6155 18008.3201 0.0000 0.0000 34280.1073 -149363.1410 299.3767 -183643.2483 -149258.0238 298.9690 137.7121 172.1244 556040.4313 0.6755 0.4633 PRESSURE: 391000 -54.3431 -11.2135 -29.4337 -11.2139 30.7176 87.3686 -29.4348 87.3678 207.428 GPRESSURE: 391000 -4.07573 -121.598 1.34459 39.3464 100.849 66.1493 -43.8472 110.749 177.932 PRESSAVG: 391000 -3.39805 -7.84265 -22.6551 -7.84259 6.95021 7.14831 -22.6552 7.14834 20.3169 GPRESSAVG: 391000 -1.79469 -7.20014 -22.2693 -8.14242 5.04201 5.62138 -23.5708 10.7318 20.3219 TIMING: 391000 CPU: 1129.11, 0.00287426/step Wall: 1129.11, 0.00287426/step, 3.67985 hours remaining, 205.652344 MB of memory in use. ENERGY: 391000 789.8945 2067.2604 1946.7684 109.0036 -206654.9751 18014.3804 0.0000 0.0000 34445.9880 -149281.6799 300.8254 -183727.6679 -149182.1268 299.4105 61.2674 91.5684 555684.2617 7.9564 7.8564 PRESSURE: 391200 -195.289 32.0687 15.0818 32.0686 159.565 -36.3116 15.081 -36.3128 43.8025 GPRESSURE: 391200 -135.427 35.3242 -0.331494 63.5117 155.129 -124.671 3.14893 -75.8001 76.9264 PRESSAVG: 391200 -56.6156 38.8566 9.85973 38.8567 30.3822 -48.6532 9.85983 -48.6533 38.279 GPRESSAVG: 391200 -58.3433 40.307 9.90589 39.2096 30.6717 -45.4415 9.50003 -52.0763 38.9173 TIMING: 391200 CPU: 1129.69, 0.00290049/step Wall: 1129.69, 0.00290049/step, 3.71328 hours remaining, 205.652344 MB of memory in use. ENERGY: 391200 765.1048 2075.7301 1970.1236 107.0488 -206146.7524 17755.5621 0.0000 0.0000 34307.9773 -149165.2057 299.6201 -183473.1830 -149060.5720 299.9976 2.6928 32.2095 555701.6457 4.0152 3.7485 PRESSURE: 391400 -232.585 -55.6314 65.4916 -55.6315 154.652 107.926 65.4909 107.926 102.027 GPRESSURE: 391400 -171.91 -87.2557 37.167 -30.6834 181.386 119.232 38.6268 98.3784 107.981 PRESSAVG: 391400 -49.1013 50.3471 -29.0546 50.3471 65.1191 -47.0035 -29.0545 -47.0036 25.337 GPRESSAVG: 391400 -50.0289 48.8067 -27.3465 49.4924 65.0029 -47.3989 -28.6842 -47.1997 26.1098 TIMING: 391400 CPU: 1130.28, 0.00291287/step Wall: 1130.28, 0.00291287/step, 3.72896 hours remaining, 205.652344 MB of memory in use. ENERGY: 391400 714.2885 2099.5112 1979.7539 116.5513 -206067.3822 17686.9349 0.0000 0.0000 34488.9870 -148981.3555 301.2009 -183470.3425 -148885.5776 299.7475 8.0314 39.1521 556226.9058 13.7849 13.6946 PRESSURE: 391600 -118.983 150.532 -29.5696 150.532 -139.206 194.956 -29.5698 194.955 -200.228 GPRESSURE: 391600 -83.944 92.1863 31.8297 210.908 -66.5585 91.0542 -15.4488 256.302 -206.24 PRESSAVG: 391600 -6.16967 66.8494 36.8513 66.8494 -20.5625 22.5206 36.8513 22.5205 -14.6369 GPRESSAVG: 391600 -5.87063 66.9382 37.0319 68.8536 -20.5095 19.9741 36.1145 22.919 -14.7884 TIMING: 391600 CPU: 1130.86, 0.00290329/step Wall: 1130.86, 0.00290329/step, 3.71653 hours remaining, 205.652344 MB of memory in use. ENERGY: 391600 765.5852 2087.6289 1939.2804 118.2438 -206168.9195 17647.8548 0.0000 0.0000 34503.5034 -149106.8229 301.3277 -183610.3263 -149012.2649 300.1887 -152.8055 -118.9142 556790.3885 -13.7897 -13.7228 PRESSURE: 391800 -93.4913 -26.8293 265.662 -26.8295 -116.512 112.866 265.664 112.868 -171.351 GPRESSURE: 391800 -81.6287 20.6393 227.722 -67.7712 -78.4945 98.6199 168.305 43.274 -134.118 PRESSAVG: 391800 36.5581 51.7415 33.5401 51.7415 -44.21 40.3302 33.5401 40.3301 15.7531 GPRESSAVG: 391800 38.476 51.5367 31.4904 49.8664 -45.5084 42.5639 33.4637 41.0242 15.3529 TIMING: 391800 CPU: 1131.44, 0.00291449/step Wall: 1131.44, 0.00291449/step, 3.73071 hours remaining, 205.652344 MB of memory in use. ENERGY: 391800 709.7505 2059.3102 1972.6630 113.8700 -205834.6522 17514.2905 0.0000 0.0000 34356.0256 -149108.7424 300.0397 -183464.7680 -149016.5056 300.0509 -127.1180 -98.0803 558429.6351 2.7004 2.7735 PRESSURE: 392000 112.158 6.4919 -36.1822 6.49118 -206.353 208.928 -36.1821 208.928 87.1159 GPRESSURE: 392000 138.625 -0.382453 -59.3191 -32.6559 -195.902 160.183 -83.6469 151.11 145.02 PRESSAVG: 392000 19.6195 -3.86798 48.3516 -3.86801 -21.987 32.9905 48.3515 32.9904 37.1576 GPRESSAVG: 392000 18.9798 -3.4595 48.7185 -2.99992 -21.2343 31.0922 47.7977 36.1546 36.7911 TIMING: 392000 CPU: 1132.02, 0.00291856/step Wall: 1132.02, 0.00291856/step, 3.73576 hours remaining, 205.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 392000 737.9722 2086.1149 1967.9172 121.3873 -206462.1343 17873.3284 0.0000 0.0000 34471.0964 -149204.3178 301.0447 -183675.4142 -149112.1228 299.5383 -2.3595 29.2476 558021.2868 11.5967 11.5122 PRESSURE: 392200 -113.331 -86.8355 47.0339 -86.8338 73.6541 64.9909 47.0357 64.9896 194.477 GPRESSURE: 392200 -62.0088 -101.567 23.2665 -108.656 79.036 81.3757 97.1774 12.6004 243.638 PRESSAVG: 392200 4.93627 -38.5664 -20.0553 -38.5664 -2.31905 5.96012 -20.0554 5.96007 1.80676 GPRESSAVG: 392200 4.88269 -37.3628 -20.3715 -38.6378 -1.81569 5.77983 -19.4151 3.24394 1.02326 TIMING: 392200 CPU: 1132.6, 0.00288422/step Wall: 1132.6, 0.00288422/step, 3.69164 hours remaining, 205.652344 MB of memory in use. ENERGY: 392200 721.8439 2051.2241 1914.1734 129.7688 -206006.5247 17960.7146 0.0000 0.0000 34147.4385 -149081.3613 298.2181 -183228.7999 -148991.4074 299.1716 51.6002 86.8882 557533.1138 1.4747 1.3634 LDB: ============= START OF LOAD BALANCING ============== 1135.98 LDB: ============== END OF LOAD BALANCING =============== 1135.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1135.99 LDB: ============= START OF LOAD BALANCING ============== 1136.28 LDB: Largest compute 4822 load 0.025713 is 21.8% of average load 0.117811 LDB: Average compute 0.001717 is 1.5% of average load 0.117811 LDB: TIME 1136.28 LOAD: AVG 0.117811 MAX 0.178283 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.824 MB LDB: TIME 1136.28 LOAD: AVG 0.117811 MAX 0.178283 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.023 MB LDB: TIME 1136.28 LOAD: AVG 0.117811 MAX 0.178283 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1136.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1136.28 PRESSURE: 392400 196.25 117.43 -64.037 117.431 409.72 96.7211 -64.0371 96.7208 48.7682 GPRESSURE: 392400 200.299 65.0514 -41.8226 95.8084 443.259 43.0772 -96.5062 45.361 105.123 PRESSAVG: 392400 -30.1934 16.0676 -2.87467 16.0676 2.0833 -25.1462 -2.87469 -25.1461 42.4217 GPRESSAVG: 392400 -30.9728 14.213 -2.57598 16.9123 2.14609 -23.9151 -3.63093 -25.0521 42.9459 TIMING: 392400 CPU: 1133.19, 0.00294541/step Wall: 1133.19, 0.00294541/step, 3.76979 hours remaining, 206.304688 MB of memory in use. ENERGY: 392400 762.8319 2119.4739 1933.5999 116.8345 -206275.8922 18047.3760 0.0000 0.0000 34281.5028 -149014.2730 299.3889 -183295.7759 -148917.5490 299.8181 218.2459 249.5602 555860.5426 4.7705 4.7064 PRESSURE: 392600 90.7657 123.48 -22.9968 123.48 95.8024 -29.6133 -22.9984 -29.6127 68.4181 GPRESSURE: 392600 102.654 174.503 -28.0543 115.988 120.223 -87.4944 -59.8938 61.5715 127.427 PRESSAVG: 392600 -38.4476 -4.39954 -39.5241 -4.39966 77.5853 -11.6781 -39.5241 -11.6782 12.423 GPRESSAVG: 392600 -38.962 -4.61567 -40.5011 -5.06429 76.7425 -12.8829 -37.8265 -12.3171 13.4128 TIMING: 392600 CPU: 1133.77, 0.00291577/step Wall: 1133.77, 0.00291577/step, 3.7317 hours remaining, 206.507812 MB of memory in use. ENERGY: 392600 724.6283 2019.8940 1959.4587 114.2574 -206055.9743 17866.6557 0.0000 0.0000 34301.2152 -149069.8649 299.5610 -183371.0801 -148978.8188 299.4074 84.9954 116.7679 556718.2091 17.1869 17.0644 PRESSURE: 392800 -279.392 -47.5925 34.967 -47.5914 -86.894 -31.7247 34.9686 -31.7243 20.6492 GPRESSURE: 392800 -202.768 5.88586 62.2848 -37.2356 -87.7536 -58.8285 56.5005 -29.1986 62.3948 PRESSAVG: 392800 -77.3039 -6.4914 9.37992 -6.49149 55.4127 9.67516 9.37994 9.67524 45.2503 GPRESSAVG: 392800 -75.6544 -6.12216 11.3004 -6.54973 55.9845 11.0862 8.40379 11.1425 43.4118 TIMING: 392800 CPU: 1134.35, 0.00288693/step Wall: 1134.35, 0.00288693/step, 3.69463 hours remaining, 206.507812 MB of memory in use. ENERGY: 392800 759.3688 2136.1778 1953.1744 114.2904 -205910.4411 17638.7148 0.0000 0.0000 34238.3997 -149070.3151 299.0125 -183308.7148 -148976.2959 299.9652 -115.2123 -76.0423 558910.9230 7.7864 7.9140 PRESSURE: 393000 -103.668 -76.5485 203.36 -76.5485 4.65341 41.2011 203.36 41.2025 42.0483 GPRESSURE: 393000 -69.3194 -63.7123 185.616 -32.7021 54.0337 96.4349 200.233 -46.9233 45.4813 PRESSAVG: 393000 -7.00884 -37.3311 18.0421 -37.3311 -0.0419002 51.0092 18.0421 51.0092 -33.899 GPRESSAVG: 393000 -7.26556 -37.7926 15.9071 -36.1022 -1.30093 51.3893 18.722 49.2977 -32.031 TIMING: 393000 CPU: 1134.92, 0.00285857/step Wall: 1134.92, 0.00285857/step, 3.65818 hours remaining, 206.507812 MB of memory in use. ENERGY: 393000 712.8545 2074.1017 1930.3436 116.6182 -205972.3251 17739.4607 0.0000 0.0000 34430.7359 -148968.2105 300.6922 -183398.9464 -148873.0930 299.4812 -18.9887 10.0652 558526.3778 -13.6499 -13.5325 PRESSURE: 393200 21.5061 -250.857 -117.184 -250.856 147.385 15.9753 -117.184 15.9754 276.558 GPRESSURE: 393200 69.0989 -164.883 -14.6802 -238.179 137.341 -79.4641 -93.8559 89.3075 336.177 PRESSAVG: 393200 -86.7544 22.7966 -5.20108 22.7965 14.8445 66.7501 -5.20115 66.75 35.6866 GPRESSAVG: 393200 -86.9438 23.5098 -4.94759 22.7007 14.6957 66.577 -5.96373 66.9324 35.8658 TIMING: 393200 CPU: 1135.5, 0.00291296/step Wall: 1135.5, 0.00291296/step, 3.72761 hours remaining, 206.507812 MB of memory in use. ENERGY: 393200 718.6155 2083.9054 1925.9145 123.7779 -206487.0446 17966.6945 0.0000 0.0000 34604.9591 -149063.1777 302.2137 -183668.1368 -148964.7086 299.9587 148.4830 180.8723 556397.4389 -12.0745 -12.1274 PRESSURE: 393400 21.1756 7.01271 -30.6557 7.01246 83.4039 58.939 -30.6544 58.9394 229.356 GPRESSURE: 393400 -39.3405 -35.5514 -11.9368 44.163 170.521 118.098 70.4322 135.458 296.54 PRESSAVG: 393400 -48.4032 -10.7236 51.9932 -10.7237 27.5059 -1.00543 51.9932 -1.00537 31.5438 GPRESSAVG: 393400 -49.222 -12.0393 51.6096 -9.25159 28.8986 0.318253 51.2078 -0.754551 31.227 TIMING: 393400 CPU: 1136.09, 0.00291061/step Wall: 1136.09, 0.00291061/step, 3.72445 hours remaining, 206.507812 MB of memory in use. ENERGY: 393400 753.7238 2075.2693 1955.6554 113.1075 -206778.7745 18051.3122 0.0000 0.0000 34427.8623 -149401.8441 300.6671 -183829.7064 -149305.3445 299.4813 111.3117 142.5732 557095.4901 3.5488 3.6345 PRESSURE: 393600 71.0841 -190.823 -100.14 -190.824 -213.282 -136.818 -100.142 -136.819 -8.07394 GPRESSURE: 393600 152.17 -164.028 -115.834 -180.421 -255.902 -129.506 -52.5972 -137.005 51.5225 PRESSAVG: 393600 22.8386 4.59428 -10.9601 4.59428 -55.0577 -47.4621 -10.9601 -47.462 45.3805 GPRESSAVG: 393600 24.2791 6.34222 -10.1573 3.524 -56.8817 -49.2678 -9.09029 -46.7205 45.6812 TIMING: 393600 CPU: 1136.66, 0.00287161/step Wall: 1136.66, 0.00287161/step, 3.67438 hours remaining, 206.507812 MB of memory in use. ENERGY: 393600 777.4230 2099.2532 1924.7004 131.9427 -206410.4075 17867.4567 0.0000 0.0000 34096.0526 -149513.5789 297.7693 -183609.6315 -149420.1566 299.2739 -50.0905 -17.4035 557518.1585 4.3871 4.3595 PRESSURE: 393800 -119.649 -36.0952 72.7351 -36.096 -326.866 29.458 72.7362 29.457 -124.104 GPRESSURE: 393800 -139.579 -127.142 38.9744 -94.3643 -234.838 -32.1591 55.2797 -24.2589 -108.019 PRESSAVG: 393800 8.22952 -49.419 -4.30693 -49.4191 -12.19 -58.9157 -4.30691 -58.9156 -1.87409 GPRESSAVG: 393800 8.01839 -50.114 -3.57534 -49.6888 -11.5208 -58.5452 -5.65982 -61.2478 -2.03186 TIMING: 393800 CPU: 1137.24, 0.00289335/step Wall: 1137.24, 0.00289335/step, 3.70205 hours remaining, 206.507812 MB of memory in use. ENERGY: 393800 764.2221 2122.0132 1927.9074 109.7137 -206185.1514 17514.0617 0.0000 0.0000 34330.4995 -149416.7338 299.8168 -183747.2332 -149317.4082 298.8063 -190.2067 -160.8119 556529.7491 -1.9448 -1.8448 PRESSURE: 394000 -193.082 -102.099 -151.239 -102.1 -52.5862 -24.2068 -151.24 -24.2067 -350.897 GPRESSURE: 394000 -117.656 -139.644 -184.088 -104.69 -90.6146 -159.553 -104.673 75.7152 -296.23 PRESSAVG: 394000 4.75919 -24.1073 12.4515 -24.1074 -9.54927 -9.7691 12.4516 -9.7691 -1.31926 GPRESSAVG: 394000 4.95165 -25.0421 11.5558 -24.2524 -9.79515 -9.98782 12.4052 -8.17267 -0.55085 TIMING: 394000 CPU: 1137.82, 0.00292734/step Wall: 1137.82, 0.00292734/step, 3.74537 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 394000 723.0140 2171.6201 1918.9902 111.4371 -206079.0915 17597.8452 0.0000 0.0000 34212.9725 -149343.2124 298.7904 -183556.1849 -149248.5909 299.1840 -198.8552 -168.1667 557550.9710 -2.0364 -1.7981 PRESSURE: 394200 -97.4389 92.5542 44.5374 92.554 -301.408 45.5907 44.5388 45.5924 -189.032 GPRESSURE: 394200 -20.4722 63.8792 119.232 157.785 -270.173 59.841 -6.13536 86.9912 -199.84 PRESSAVG: 394200 -0.0465555 -23.6825 5.48006 -23.6824 6.48207 -11.3838 5.48003 -11.3839 16.9882 GPRESSAVG: 394200 -1.15 -22.6519 5.86257 -26.4893 7.27584 -10.3374 5.00236 -12.8159 16.6939 TIMING: 394200 CPU: 1138.4, 0.00289752/step Wall: 1138.4, 0.00289752/step, 3.70705 hours remaining, 206.507812 MB of memory in use. ENERGY: 394200 756.7472 2107.4995 1948.0536 123.9185 -206028.8770 17630.0965 0.0000 0.0000 34119.5599 -149343.0018 297.9746 -183462.5616 -149245.8391 298.9796 -195.9594 -163.4951 557689.9091 7.8079 7.6066 PRESSURE: 394400 94.8883 39.4494 57.5294 39.4483 270.59 -167.592 57.529 -167.59 87.4235 GPRESSURE: 394400 173.557 77.7342 -18.7857 11.3742 269.872 -159.465 96.2325 -146.572 105.931 PRESSAVG: 394400 -65.6575 3.21628 24.1495 3.21629 70.1572 -36.5872 24.1496 -36.5872 2.34796 GPRESSAVG: 394400 -64.5427 2.39187 23.6378 6.44799 69.9955 -35.1183 26.3041 -38.4874 1.37217 TIMING: 394400 CPU: 1138.98, 0.00289859/step Wall: 1138.98, 0.00289859/step, 3.70826 hours remaining, 206.507812 MB of memory in use. ENERGY: 394400 769.6769 2093.0803 1929.4495 120.3054 -206525.6369 18134.5885 0.0000 0.0000 34119.5448 -149358.9914 297.9745 -183478.5363 -149271.4705 298.9315 150.9673 183.1203 555458.2367 2.2826 2.2750 PRESSURE: 394600 20.8673 -196.691 -72.9564 -196.691 -51.9565 -116.073 -72.9546 -116.073 191.286 GPRESSURE: 394600 68.4746 -172.989 -2.14274 -194.889 23.7284 -81.3407 -36.9631 -91.1105 160.365 PRESSAVG: 394600 31.7405 -8.58371 -20.159 -8.58366 -16.5899 -71.5659 -20.159 -71.5657 12.7337 GPRESSAVG: 394600 30.8219 -7.09671 -19.6224 -10.372 -15.3382 -73.6459 -22.5106 -70.5782 13.148 TIMING: 394600 CPU: 1139.57, 0.00290778/step Wall: 1139.57, 0.00290778/step, 3.71985 hours remaining, 206.507812 MB of memory in use. ENERGY: 394600 741.0062 2132.0264 1953.9681 105.1994 -206521.9937 17965.0570 0.0000 0.0000 34247.0805 -149377.6560 299.0883 -183624.7365 -149285.0591 299.5376 53.3990 84.1893 557170.9318 9.2947 9.5439 PRESSURE: 394800 -152.682 -111.717 16.5771 -111.717 -184.841 104.692 16.5771 104.693 68.4987 GPRESSURE: 394800 -106.35 -76.5861 38.1742 -98.281 -154.981 72.8326 -47.8004 152.27 80.3286 PRESSAVG: 394800 6.15589 37.2213 15.1417 37.2212 -12.8995 -21.2116 15.1416 -21.2114 39.5129 GPRESSAVG: 394800 4.75135 35.1228 14.9401 37.7777 -12.6708 -19.646 15.826 -22.0348 40.267 TIMING: 394800 CPU: 1140.15, 0.00289811/step Wall: 1140.15, 0.00289811/step, 3.70733 hours remaining, 206.582031 MB of memory in use. ENERGY: 394800 755.7458 2113.9893 1961.0563 112.8987 -206659.3944 17935.4218 0.0000 0.0000 34384.6002 -149395.6822 300.2893 -183780.2824 -149305.4820 298.8551 -89.6749 -60.3340 556855.7468 10.9231 10.7825 PRESSURE: 395000 6.05372 -64.3604 -7.24595 -64.3598 1.22655 37.7316 -7.24503 37.7333 66.7108 GPRESSURE: 395000 76.5102 -117.353 -7.90095 5.12837 17.9404 -45.561 27.199 -10.2777 92.1124 PRESSAVG: 395000 -58.1595 -14.1785 -32.9361 -14.1786 -32.7155 25.476 -32.9362 25.4759 98.5508 GPRESSAVG: 395000 -56.2637 -11.6811 -31.6797 -14.5332 -34.2646 23.6071 -33.3854 28.7861 98.5289 TIMING: 395000 CPU: 1140.72, 0.00288805/step Wall: 1140.72, 0.00288805/step, 3.6943 hours remaining, 206.582031 MB of memory in use. ENERGY: 395000 732.3137 2022.0968 1927.6352 119.0849 -206057.7355 17688.9189 0.0000 0.0000 34184.3993 -149383.2867 298.5409 -183567.6861 -149285.7357 298.1829 24.6637 62.1877 557761.6626 2.5586 2.6668 PRESSURE: 395200 -140.552 -62.9446 3.49488 -62.9464 12.3322 -94.7188 3.49601 -94.7184 -78.9971 GPRESSURE: 395200 -146.497 -21.5024 68.3813 -144.131 79.7994 -74.2053 -52.7861 -91.3474 -35.4409 PRESSAVG: 395200 -28.6441 -42.3726 -29.1012 -42.3726 -18.4538 12.6175 -29.1012 12.6175 37.2296 GPRESSAVG: 395200 -29.1754 -43.4229 -30.2133 -41.5608 -18.4199 11.6813 -29.2994 12.8497 37.8546 TIMING: 395200 CPU: 1141.3, 0.00287774/step Wall: 1141.3, 0.00287774/step, 3.68094 hours remaining, 206.582031 MB of memory in use. ENERGY: 395200 718.5682 2099.1807 1959.3383 118.7665 -206256.4868 17768.3967 0.0000 0.0000 34242.6864 -149349.5500 299.0499 -183592.2364 -149249.7532 298.4210 -69.0722 -34.0461 558064.3772 -3.2894 -3.2469 PRESSURE: 395400 179.769 30.3557 -21.4046 30.356 -98.3562 31.7448 -21.4048 31.7455 341.743 GPRESSURE: 395400 189.729 -16.3554 8.20181 19.3662 15.4049 79.3077 15.9301 39.7821 297.801 PRESSAVG: 395400 -30.5933 19.5135 -20.0076 19.5135 -52.504 -42.3371 -20.0075 -42.337 99.675 GPRESSAVG: 395400 -30.9229 18.6449 -20.2995 18.9738 -51.6682 -41.1841 -20.2376 -44.9491 99.2781 TIMING: 395400 CPU: 1141.87, 0.00286288/step Wall: 1141.87, 0.00286288/step, 3.66178 hours remaining, 206.582031 MB of memory in use. ENERGY: 395400 746.8473 2074.8580 1965.2271 114.3329 -206173.2246 17881.9678 0.0000 0.0000 34123.4127 -149266.5789 298.0083 -183389.9916 -149165.3150 299.0311 141.0517 167.6448 558178.9130 5.5259 5.5623 PRESSURE: 395600 -230.618 -28.8371 -3.20901 -28.8385 -166.976 -76.3616 -3.20868 -76.3611 74.5608 GPRESSURE: 395600 -114.075 -46.0978 -10.8449 -40.3443 -175.851 -117.448 -24.9417 -55.5513 56.0743 PRESSAVG: 395600 -51.2738 22.3981 -0.438383 22.3981 -14.3974 -12.7551 -0.438391 -12.755 53.0569 GPRESSAVG: 395600 -50.3723 23.5057 0.0866815 22.0788 -15.4528 -14.6524 0.0286582 -12.6586 53.3499 TIMING: 395600 CPU: 1142.45, 0.00288974/step Wall: 1142.45, 0.00288974/step, 3.69598 hours remaining, 206.582031 MB of memory in use. ENERGY: 395600 738.6097 2100.5776 1933.0600 113.0883 -205815.2812 17639.4024 0.0000 0.0000 33968.2037 -149322.3394 296.6528 -183290.5432 -149219.0656 298.1884 -107.6777 -77.9508 556811.6802 -4.2048 -4.1584 PRESSURE: 395800 -51.8964 -68.8506 -8.46433 -68.8512 -12.6141 -20.3781 -8.46482 -20.3786 94.9445 GPRESSURE: 395800 2.57508 15.9485 0.70943 -57.387 -18.1504 -3.35123 -27.8956 32.6751 150.699 PRESSAVG: 395800 13.9916 32.5158 6.97054 32.5158 -12.2486 -38.6963 6.97055 -38.6964 -3.88299 GPRESSAVG: 395800 14.395 31.4828 7.34357 34.4594 -10.6989 -37.4738 7.58585 -37.4521 -4.89421 TIMING: 395800 CPU: 1143.03, 0.00289586/step Wall: 1143.03, 0.00289586/step, 3.70365 hours remaining, 206.582031 MB of memory in use. ENERGY: 395800 725.9488 2092.1040 1967.4541 122.1872 -206034.8935 17675.5843 0.0000 0.0000 34081.0654 -149370.5497 297.6384 -183451.6151 -149277.7841 297.9119 10.1447 45.0411 556754.6975 -0.7133 -0.3994 PRESSURE: 396000 29.7158 -26.7216 -131.789 -26.7211 -65.1111 -277.929 -131.79 -277.928 129.709 GPRESSURE: 396000 48.7797 6.40234 -151.811 -28.0869 -6.04424 -210.662 -115.67 -319.214 149.901 PRESSAVG: 396000 -13.904 17.0575 -53.4915 17.0574 30.09 -28.9706 -53.4914 -28.9706 17.0049 GPRESSAVG: 396000 -16.0251 19.0949 -53.1054 14.5087 31.0035 -28.5897 -54.6114 -28.3578 18.4837 TIMING: 396000 CPU: 1143.6, 0.0028731/step Wall: 1143.6, 0.0028731/step, 3.67438 hours remaining, 206.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 396000 735.8703 2125.0441 1954.6935 114.1815 -206267.9266 17839.6796 0.0000 0.0000 34227.2985 -149271.1591 298.9155 -183498.4576 -149177.6530 299.1635 31.4379 64.2121 557266.9966 11.0636 11.1540 PRESSURE: 396200 296.847 -27.0373 -119.93 -27.0373 23.6909 107.861 -119.932 107.861 9.77263 GPRESSURE: 396200 320.742 -65.2662 -102.818 -55.2739 74.4302 104.618 -144.46 105.972 34.3056 PRESSAVG: 396200 39.9308 -20.4485 -40.8484 -20.4484 -10.0513 -23.4691 -40.8483 -23.4692 -12.0343 GPRESSAVG: 396200 41.3303 -21.5841 -40.3481 -21.6304 -10.2899 -24.0394 -40.3038 -24.4116 -13.2633 TIMING: 396200 CPU: 1144.18, 0.00287033/step Wall: 1144.18, 0.00287033/step, 3.67068 hours remaining, 206.582031 MB of memory in use. ENERGY: 396200 734.4654 2103.3122 1961.3283 117.1969 -206566.9103 18053.2050 0.0000 0.0000 34224.9746 -149372.4279 298.8952 -183597.4025 -149277.2571 299.0510 110.1037 143.1591 556690.9081 5.9484 5.9257 LDB: ============= START OF LOAD BALANCING ============== 1147.56 LDB: ============== END OF LOAD BALANCING =============== 1147.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1147.56 LDB: ============= START OF LOAD BALANCING ============== 1147.85 LDB: Largest compute 4822 load 0.024924 is 21.1% of average load 0.117885 LDB: Average compute 0.001711 is 1.5% of average load 0.117885 LDB: TIME 1147.85 LOAD: AVG 0.117885 MAX 0.180574 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.109 MB LDB: TIME 1147.85 LOAD: AVG 0.117885 MAX 0.180574 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: TIME 1147.85 LOAD: AVG 0.117885 MAX 0.180574 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1147.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1147.86 PRESSURE: 396400 26.5764 26.0806 -73.9139 26.0803 101.586 157.775 -73.913 157.773 85.11 GPRESSURE: 396400 -1.69211 106.429 29.4737 85.3015 200.031 142.479 -124.661 75.1185 123.091 PRESSAVG: 396400 109.78 23.2595 -79.8223 23.2595 54.1334 29.8173 -79.8223 29.8174 -105.033 GPRESSAVG: 396400 110.073 22.2888 -82.6083 24.9325 53.999 29.4774 -80.4575 29.8913 -104.698 TIMING: 396400 CPU: 1144.76, 0.00293115/step Wall: 1144.76, 0.00293115/step, 3.74829 hours remaining, 205.402344 MB of memory in use. ENERGY: 396400 729.5315 2131.4289 1921.1211 114.1516 -206468.7419 17989.9872 0.0000 0.0000 34242.8357 -149339.6860 299.0512 -183582.5217 -149241.9062 299.3179 71.0907 107.1431 556854.4862 19.6268 19.7915 PRESSURE: 396600 -47.9113 74.2046 46.4745 74.2047 -20.7224 171.616 46.4731 171.617 -40.5464 GPRESSURE: 396600 -53.8147 144.974 -31.3095 89.3783 -3.30963 243.006 56.3657 115.629 41.0252 PRESSAVG: 396600 -15.4189 7.77425 -10.238 7.77428 38.058 93.1698 -10.238 93.1698 -63.8622 GPRESSAVG: 396600 -15.6098 9.7652 -7.35298 6.63606 38.3126 95.357 -10.2771 93.0566 -63.2802 TIMING: 396600 CPU: 1145.33, 0.00285244/step Wall: 1145.33, 0.00285244/step, 3.64748 hours remaining, 205.863281 MB of memory in use. ENERGY: 396600 733.2489 2097.2504 1917.3852 127.3956 -206229.4114 17770.9112 0.0000 0.0000 34388.3560 -149194.8640 300.3221 -183583.2200 -149095.7528 299.4398 -36.3934 -5.3664 556264.3071 -13.7410 -13.5258 PRESSURE: 396800 -365.772 -69.9469 21.002 -69.9464 176.879 242.245 21.0031 242.246 -271.262 GPRESSURE: 396800 -269.173 -26.9303 -58.4353 -146.803 179.05 272.322 102.623 278.903 -266.656 PRESSAVG: 396800 -46.9562 65.682 10.4038 65.682 100.605 68.8518 10.4039 68.8519 -49.5796 GPRESSAVG: 396800 -46.818 65.329 6.53394 65.8224 100.744 70.268 11.4667 67.9722 -50.0443 TIMING: 396800 CPU: 1145.91, 0.00286726/step Wall: 1145.91, 0.00286726/step, 3.66627 hours remaining, 205.917969 MB of memory in use. ENERGY: 396800 760.8302 2077.7089 1902.9735 116.2217 -206210.7328 17621.5486 0.0000 0.0000 34315.0210 -149416.4290 299.6816 -183731.4499 -149322.7122 299.2265 -153.3851 -118.9265 556914.2246 1.3565 1.2939 PRESSURE: 397000 169.02 -270.868 42.6823 -270.866 262.593 30.7286 42.6823 30.7279 -19.1989 GPRESSURE: 397000 272.924 -291.553 86.6324 -275.474 253.825 -69.949 -6.45193 11.8791 -4.67557 PRESSAVG: 397000 44.1235 -6.68975 -63.8635 -6.68971 36.1857 -11.5698 -63.8635 -11.5698 -44.9192 GPRESSAVG: 397000 45.2353 -7.61819 -61.4543 -5.42388 35.0403 -15.6014 -63.9681 -9.00467 -45.4688 TIMING: 397000 CPU: 1146.48, 0.00289068/step Wall: 1146.48, 0.00289068/step, 3.69605 hours remaining, 205.917969 MB of memory in use. ENERGY: 397000 744.1068 2095.8245 1942.5748 118.7369 -206820.7739 17910.5976 0.0000 0.0000 34486.6301 -149522.3033 301.1803 -184008.9334 -149430.0030 299.0447 137.4714 174.0247 554891.6911 11.7967 11.6023 PRESSURE: 397200 50.8268 -22.5112 44.5972 -22.5101 -66.2498 -32.4134 44.5977 -32.4117 -147.844 GPRESSURE: 397200 65.4644 -87.0595 47.5445 16.6138 -67.5206 -97.8444 75.4632 -34.5562 -67.7719 PRESSAVG: 397200 1.33282 -21.5258 -26.2514 -21.5258 133.901 -13.552 -26.2515 -13.5521 -124.5 GPRESSAVG: 397200 0.0286285 -23.676 -27.1401 -20.9554 134.705 -12.9381 -24.8026 -14.8768 -123.836 TIMING: 397200 CPU: 1147.06, 0.00289008/step Wall: 1147.06, 0.00289008/step, 3.69513 hours remaining, 205.917969 MB of memory in use. ENERGY: 397200 704.3950 2065.3141 1931.3856 114.1281 -206262.9038 17623.1396 0.0000 0.0000 34262.8271 -149561.7144 299.2258 -183824.5415 -149461.2587 298.0575 -54.4223 -23.2761 556991.0697 3.5782 3.6327 PRESSURE: 397400 74.3673 -91.2385 -144.923 -91.2389 186.142 48.0503 -144.922 48.0509 140.732 GPRESSURE: 397400 125.854 -90.0275 -101.556 -154.656 218.129 -20.6858 -101.361 57.8403 143.415 PRESSAVG: 397400 -33.8407 -30.6418 -19.7399 -30.6418 84.1209 -23.4291 -19.7398 -23.429 -35.6036 GPRESSAVG: 397400 -34.9444 -27.6642 -19.7692 -32.3679 85.3213 -21.623 -20.0782 -22.1495 -35.692 TIMING: 397400 CPU: 1147.64, 0.0028815/step Wall: 1147.64, 0.0028815/step, 3.684 hours remaining, 205.917969 MB of memory in use. ENERGY: 397400 714.3713 2119.1945 1932.0095 112.9011 -206673.5044 18201.9621 0.0000 0.0000 34025.1735 -149567.8925 297.1503 -183593.0659 -149477.9030 298.5607 133.7471 162.4660 556187.3603 4.8922 4.8950 PRESSURE: 397600 -74.9389 -96.0053 0.92148 -96.0056 -207.733 190.729 0.921773 190.729 -433.602 GPRESSURE: 397600 -57.8858 -139.874 130.25 -31.9939 -223.256 207.406 -128.564 114.042 -333.027 PRESSAVG: 397600 26.2593 -16.4709 -2.06837 -16.4709 -49.1132 27.0488 -2.06824 27.0488 -12.3851 GPRESSAVG: 397600 28.3571 -17.1673 -0.0661529 -15.4769 -51.0565 27.9874 -4.54763 24.1916 -12.9304 TIMING: 397600 CPU: 1148.22, 0.00289191/step Wall: 1148.22, 0.00289191/step, 3.69715 hours remaining, 205.917969 MB of memory in use. ENERGY: 397600 751.1807 2046.1799 1916.7174 118.0368 -206154.8652 17459.0278 0.0000 0.0000 34269.9508 -149593.7718 299.2880 -183863.7225 -149503.6224 297.8094 -238.7580 -204.7228 556321.8689 -11.7463 -11.8766 PRESSURE: 397800 -201.7 -43.2406 30.3074 -43.2408 -155.239 -270.394 30.3075 -270.393 -340.774 GPRESSURE: 397800 -210.043 -19.9315 45.5075 -42.4531 -76.0904 -305.782 19.2097 -254.212 -303.59 PRESSAVG: 397800 -7.60364 -23.3781 -13.5869 -23.3781 11.0794 8.79242 -13.5869 8.79253 -10.2248 GPRESSAVG: 397800 -8.13867 -25.2817 -16.6848 -24.0236 10.8049 7.03407 -12.9591 9.77614 -9.71391 TIMING: 397800 CPU: 1148.8, 0.00289023/step Wall: 1148.8, 0.00289023/step, 3.69484 hours remaining, 205.917969 MB of memory in use. ENERGY: 397800 748.6343 2098.3169 1960.7548 110.3068 -206335.1292 17554.0116 0.0000 0.0000 34516.7443 -149346.3605 301.4433 -183863.1048 -149244.7989 299.0015 -232.5711 -196.5745 558115.9018 -2.2497 -2.3492 PRESSURE: 398000 -123.541 -26.9942 -50.5354 -26.9946 -102.978 83.2781 -50.5355 83.2785 -334.342 GPRESSURE: 398000 -102.619 -106.512 -13.1972 -1.86247 -61.259 24.1922 -48.3111 26.397 -296.203 PRESSAVG: 398000 0.595656 -24.2749 -18.6981 -24.2748 26.6856 46.3857 -18.698 46.3857 -31.3011 GPRESSAVG: 398000 0.57279 -21.3961 -16.6025 -26.4786 26.8316 47.4333 -18.5695 44.5635 -31.3881 TIMING: 398000 CPU: 1149.37, 0.00287979/step Wall: 1149.37, 0.00287979/step, 3.68133 hours remaining, 205.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 398000 741.1019 2048.3026 1937.0829 114.4704 -206004.2311 17526.5381 0.0000 0.0000 34233.7557 -149402.9796 298.9719 -183636.7352 -149306.6314 299.1976 -186.9537 -153.3606 556860.8381 -1.3400 -1.3279 PRESSURE: 398200 -73.067 -55.5133 56.4602 -55.514 63.7883 -107.852 56.4604 -107.853 123.665 GPRESSURE: 398200 10.3441 9.32546 129.79 -178.579 105.965 -63.6235 51.695 -117.745 100.372 PRESSAVG: 398200 23.5233 30.8211 -8.72786 30.821 15.9168 7.93967 -8.72785 7.93968 -41.1908 GPRESSAVG: 398200 22.6756 29.8164 -9.43025 32.404 16.5536 7.49736 -6.48256 9.7861 -41.349 TIMING: 398200 CPU: 1149.95, 0.00289217/step Wall: 1149.95, 0.00289217/step, 3.69699 hours remaining, 205.984375 MB of memory in use. ENERGY: 398200 746.8031 2091.1531 1914.4949 107.0978 -206438.9308 17897.5030 0.0000 0.0000 34352.5431 -149329.3359 300.0093 -183681.8790 -149231.1606 298.8841 38.1288 72.2272 556884.8082 -0.5836 -0.7066 PRESSURE: 398400 -46.3875 -50.5476 35.1546 -50.5481 -297.767 -14.6122 35.1533 -14.6142 -163.807 GPRESSURE: 398400 -33.5208 -67.6082 -10.9483 46.9114 -248.582 -16.3285 -13.6521 -2.28543 -128.343 PRESSAVG: 398400 10.0903 3.19308 -14.6725 3.19316 64.6194 -36.3284 -14.6727 -36.3284 -82.7357 GPRESSAVG: 398400 9.48206 2.26615 -15.166 5.84378 65.2962 -36.3214 -14.97 -34.2944 -82.5241 TIMING: 398400 CPU: 1150.53, 0.00289555/step Wall: 1150.53, 0.00289555/step, 3.70116 hours remaining, 205.984375 MB of memory in use. ENERGY: 398400 717.4359 2126.9323 1924.2634 113.1522 -206096.6623 17612.3987 0.0000 0.0000 34319.5259 -149282.9539 299.7210 -183602.4797 -149188.6415 298.7941 -169.3206 -136.8152 558379.7076 -2.6753 -2.5819 PRESSURE: 398600 -153.022 223.97 80.1872 223.97 -19.8783 97.6341 80.1873 97.6337 47.75 GPRESSURE: 398600 -35.4617 192.213 177.744 241.894 -0.710071 159.862 89.991 38.8066 9.06574 PRESSAVG: 398600 -16.4049 -1.3623 -52.7696 -1.36227 -46.3784 24.6352 -52.7695 24.6353 59.2362 GPRESSAVG: 398600 -15.1462 1.66694 -51.8814 -3.17765 -47.2364 24.3614 -53.9856 22.1931 58.2914 TIMING: 398600 CPU: 1151.1, 0.00287527/step Wall: 1151.1, 0.00287527/step, 3.67507 hours remaining, 205.984375 MB of memory in use. ENERGY: 398600 767.2041 2083.3616 1941.3758 112.7304 -206278.6791 17770.8530 0.0000 0.0000 34419.0908 -149184.0634 300.5905 -183603.1543 -149084.5228 299.2929 -41.7168 -9.0353 557162.5721 -1.1824 -1.3638 PRESSURE: 398800 -105.654 5.37254 -40.3105 5.37308 -229.098 60.3593 -40.31 60.3601 241.831 GPRESSURE: 398800 -49.2799 47.3258 -25.4082 -8.78207 -142.206 98.7245 -73.3155 94.8161 193.111 PRESSAVG: 398800 -10.2551 -17.5694 34.0557 -17.5695 29.2042 -17.1649 34.0557 -17.1649 33.962 GPRESSAVG: 398800 -11.0399 -20.6371 32.6827 -18.0495 28.8774 -17.2345 34.483 -16.6136 34.093 TIMING: 398800 CPU: 1151.68, 0.00289482/step Wall: 1151.68, 0.00289482/step, 3.6999 hours remaining, 205.984375 MB of memory in use. ENERGY: 398800 724.5845 2080.0162 1933.0055 105.9376 -206105.2969 17785.1175 0.0000 0.0000 34412.3684 -149064.2672 300.5318 -183476.6356 -148966.0436 299.6863 -30.9734 0.5419 557549.8254 17.6370 17.3101 PRESSURE: 399000 8.11484 11.1631 176.254 11.1638 27.9028 -26.3654 176.255 -26.3668 -33.1851 GPRESSURE: 399000 23.7346 94.526 117.169 -9.72033 84.559 -39.6514 177.572 -52.3449 -5.62094 PRESSAVG: 399000 18.6121 -11.8602 -7.1589 -11.8602 -1.48823 -65.9221 -7.15894 -65.9222 -2.66099 GPRESSAVG: 399000 18.343 -10.5454 -6.49395 -9.55002 -2.49277 -67.3519 -7.73534 -66.7006 -1.37825 TIMING: 399000 CPU: 1152.27, 0.0029249/step Wall: 1152.27, 0.0029249/step, 3.73819 hours remaining, 205.984375 MB of memory in use. ENERGY: 399000 753.0837 2113.5519 1923.6860 101.7477 -206408.2993 17870.2939 0.0000 0.0000 34311.2360 -149334.7001 299.6486 -183645.9361 -149237.9958 299.6339 0.9442 34.2242 557976.6243 4.8210 4.8240 PRESSURE: 399200 -141.968 45.0392 177.25 45.0393 -54.4807 -70.7036 177.25 -70.7029 86.1618 GPRESSURE: 399200 -93.2238 -53.8452 197.46 32.6566 -26.2137 -97.2393 183.369 2.48169 108.507 PRESSAVG: 399200 -22.5945 1.7978 83.7066 1.79788 9.35925 -29.601 83.7066 -29.6011 22.8202 GPRESSAVG: 399200 -21.6142 2.97445 81.6632 -2.62358 8.74581 -29.4459 83.6514 -30.2103 22.6149 TIMING: 399200 CPU: 1152.85, 0.00289118/step Wall: 1152.85, 0.00289118/step, 3.69493 hours remaining, 205.984375 MB of memory in use. ENERGY: 399200 744.1068 2053.9474 1930.0341 108.3732 -206247.7137 17720.5900 0.0000 0.0000 34226.0658 -149464.5964 298.9047 -183690.6621 -149370.6255 298.8043 -36.7621 -3.6434 555865.7415 3.1950 3.2488 PRESSURE: 399400 244.446 9.1912 -120.309 9.19177 -54.8035 -47.3868 -120.31 -47.3862 -203.402 GPRESSURE: 399400 208.208 80.7361 -137.418 90.1323 39.4672 125.234 -124.518 -91.9456 -162.805 PRESSAVG: 399400 26.0091 -22.0952 -2.89602 -22.0952 153.188 -48.7395 -2.89601 -48.7394 -125.229 GPRESSAVG: 399400 24.869 -22.5288 -0.444616 -20.436 154.424 -48.0282 -3.3216 -45.1325 -125.612 TIMING: 399400 CPU: 1153.42, 0.00288289/step Wall: 1153.42, 0.00288289/step, 3.68418 hours remaining, 205.984375 MB of memory in use. ENERGY: 399400 682.3521 2073.7175 1950.5264 108.2846 -206116.0261 17639.4819 0.0000 0.0000 34105.7037 -149555.9600 297.8536 -183661.6636 -149451.9587 298.2281 -4.5865 28.2902 557023.4452 17.9895 17.8936 PRESSURE: 399600 68.0293 117.267 -32.0123 117.269 -135.552 -80.8512 -32.0122 -80.8516 187.314 GPRESSURE: 399600 98.3518 144.352 21.2497 176.045 -72.2206 -122.164 -118.258 -55.741 196.872 PRESSAVG: 399600 -12.1509 4.56117 -31.5103 4.56114 45.3365 39.5667 -31.5104 39.5666 -35.9824 GPRESSAVG: 399600 -12.0792 3.51247 -33.7324 5.89795 45.2215 38.371 -30.4315 38.0274 -35.9201 TIMING: 399600 CPU: 1154.01, 0.00291595/step Wall: 1154.01, 0.00291595/step, 3.72627 hours remaining, 205.984375 MB of memory in use. ENERGY: 399600 733.0345 2100.7270 1923.1636 109.0099 -206420.1744 17838.1243 0.0000 0.0000 34120.6562 -149595.4590 297.9842 -183716.1152 -149504.1723 298.1085 39.9303 74.3344 557606.8801 -0.9323 -0.9259 PRESSURE: 399800 141.482 -149.774 -1.1464 -149.773 -135.711 -97.3497 -1.14661 -97.3496 -16.0362 GPRESSURE: 399800 170.128 -70.0202 -31.3382 -153.169 -94.058 -161.017 45.9593 8.73034 13.098 PRESSAVG: 399800 -39.3455 -30.0544 -25.5114 -30.0543 52.0534 -5.23978 -25.5115 -5.24 -3.62984 GPRESSAVG: 399800 -39.8354 -28.9559 -21.0565 -30.8343 53.7369 -4.50655 -28.5403 -4.67757 -4.67077 TIMING: 399800 CPU: 1154.58, 0.00288727/step Wall: 1154.58, 0.00288727/step, 3.68944 hours remaining, 205.984375 MB of memory in use. ENERGY: 399800 722.2189 2121.3395 1948.5042 118.4958 -206180.8812 17651.5199 0.0000 0.0000 33885.3890 -149733.4138 295.9295 -183618.8028 -149643.9665 297.9020 -3.4216 29.7227 555582.2992 3.0260 3.0769 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.009 seconds, 205.984 MB of memory in use PRESSURE: 400000 -39.2071 -162.518 -101.506 -162.519 -138.359 -209.772 -101.507 -209.772 -102.705 GPRESSURE: 400000 -62.5798 -180.427 -108.201 -185.227 -105.098 -154.251 -85.9202 -168.447 -12.1922 PRESSAVG: 400000 -14.9409 -36.2045 -17.3804 -36.2043 59.4198 38.986 -17.3804 38.9861 -36.6049 GPRESSAVG: 400000 -14.1171 -36.8932 -18.2786 -35.959 57.4913 41.1914 -15.431 35.6773 -35.7335 TIMING: 400000 CPU: 1155.17, 0.00293229/step Wall: 1155.17, 0.00293229/step, 3.74682 hours remaining, 205.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 400000 733.0711 2108.1653 1943.7219 108.8761 -206510.3185 17660.0885 0.0000 0.0000 34274.8457 -149681.5499 299.3308 -183956.3955 -149580.8540 297.9555 -93.4238 -59.9566 555841.0849 2.6247 2.5469 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.004 seconds, 205.984 MB of memory in use PRESSURE: 400200 29.6633 -33.8566 174.886 -33.8581 135.441 -0.0208473 174.884 -0.0213891 43.7141 GPRESSURE: 400200 73.714 -3.16939 103.741 -94.7044 154.569 28.7309 183.106 48.6319 75.9788 PRESSAVG: 400200 -6.72396 -1.60363 -61.7588 -1.60372 20.2157 18.2933 -61.7588 18.2933 12.5363 GPRESSAVG: 400200 -6.13046 -1.98889 -63.6574 -2.43984 19.2738 14.9534 -61.9691 21.8577 12.4767 TIMING: 400200 CPU: 1155.75, 0.00291266/step Wall: 1155.75, 0.00291266/step, 3.72157 hours remaining, 205.984375 MB of memory in use. ENERGY: 400200 746.5585 2025.3667 1947.3279 111.5541 -206608.2126 17989.8585 0.0000 0.0000 34210.7931 -149576.7538 298.7714 -183787.5469 -149476.6304 297.9434 69.6061 101.4205 556625.2270 8.6760 8.5400 LDB: ============= START OF LOAD BALANCING ============== 1159.14 LDB: ============== END OF LOAD BALANCING =============== 1159.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1159.14 LDB: ============= START OF LOAD BALANCING ============== 1159.43 LDB: Largest compute 4820 load 0.025711 is 21.8% of average load 0.117868 LDB: Average compute 0.001717 is 1.5% of average load 0.117868 LDB: TIME 1159.43 LOAD: AVG 0.117868 MAX 0.18083 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.02 MB LDB: TIME 1159.43 LOAD: AVG 0.117868 MAX 0.18083 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.023 MB LDB: TIME 1159.43 LOAD: AVG 0.117868 MAX 0.18083 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.023 MB LDB: ============== END OF LOAD BALANCING =============== 1159.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1159.44 PRESSURE: 400400 97.8114 30.2829 170.985 30.2826 56.2207 140.409 170.985 140.408 11.2209 GPRESSURE: 400400 164.072 -102.413 123.705 56.8781 19.373 69.8102 131.415 181.628 69.153 PRESSAVG: 400400 -6.8429 -9.17471 12.2391 -9.17471 5.3171 16.8269 12.2391 16.827 34.6675 GPRESSAVG: 400400 -7.37439 -9.94854 11.2348 -7.72315 6.65102 14.9388 11.4005 16.75 34.7753 TIMING: 400400 CPU: 1156.34, 0.00295149/step Wall: 1156.34, 0.00295149/step, 3.77103 hours remaining, 205.542969 MB of memory in use. ENERGY: 400400 764.6237 2076.5127 1920.2916 114.1162 -206566.1133 18123.0335 0.0000 0.0000 34075.2337 -149492.3019 297.5875 -183567.5356 -149396.8097 298.3443 55.0843 84.1994 556588.3334 11.0472 11.3507 PRESSURE: 400600 -183.755 -64.2228 -84.0635 -64.2219 -175.878 133.106 -84.0638 133.107 -137.871 GPRESSURE: 400600 -133.823 -69.8817 -101.735 -204.303 -178.174 217.397 -40.7722 127.154 -77.0288 PRESSAVG: 400600 -31.3289 -10.9805 -50.3835 -10.9804 50.3608 6.11442 -50.3835 6.11435 -45.7522 GPRESSAVG: 400600 -31.4527 -8.36785 -49.0593 -11.6946 50.6116 8.53373 -47.7953 5.08383 -45.4007 TIMING: 400600 CPU: 1156.93, 0.00291639/step Wall: 1156.93, 0.00291639/step, 3.72601 hours remaining, 205.746094 MB of memory in use. ENERGY: 400600 772.2411 2050.8184 1945.2150 110.1391 -206304.5626 17623.1232 0.0000 0.0000 34250.4772 -149552.5485 299.1179 -183803.0257 -149454.2761 298.6225 -165.8346 -129.6754 556386.5607 -8.9068 -8.7473 PRESSURE: 400800 194.785 -18.1198 8.90877 -18.1194 101.852 105.177 8.90897 105.177 -196.008 GPRESSURE: 400800 219.784 -31.631 7.25363 -81.7801 137.946 103.896 -8.39275 58.9268 -177.362 PRESSAVG: 400800 -5.216 -13.5151 -19.3843 -13.5151 44.8466 62.9491 -19.3842 62.9491 10.3903 GPRESSAVG: 400800 -5.67564 -13.361 -19.3986 -14.6973 45.8774 62.6801 -22.8118 63.7515 10.0412 TIMING: 400800 CPU: 1157.5, 0.00287188/step Wall: 1157.5, 0.00287188/step, 3.66898 hours remaining, 205.746094 MB of memory in use. ENERGY: 400800 748.5737 2103.5639 1945.8403 111.5610 -206631.1900 17887.6814 0.0000 0.0000 34376.9738 -149456.9958 300.2227 -183833.9696 -149364.2464 299.1354 33.5429 60.1225 558065.7428 16.6736 16.7477 PRESSURE: 401000 -7.97414 -102.95 -50.9633 -102.95 -104.875 42.8515 -50.9634 42.8511 -368.967 GPRESSURE: 401000 -22.2646 -93.311 -106.482 -32.4529 -77.5524 0.394254 -74.902 48.2807 -275.169 PRESSAVG: 401000 83.2818 -10.637 -3.27929 -10.637 1.00989 32.5596 -3.27932 32.5594 -71.6393 GPRESSAVG: 401000 85.0561 -11.6137 -3.90111 -8.68989 -1.28677 33.5539 -1.52382 30.7057 -70.98 TIMING: 401000 CPU: 1158.08, 0.00287941/step Wall: 1158.08, 0.00287941/step, 3.67845 hours remaining, 205.746094 MB of memory in use. ENERGY: 401000 744.6819 2132.6246 1924.6289 116.8043 -206280.9161 17773.2274 0.0000 0.0000 34147.8302 -149441.1187 298.2215 -183588.9489 -149350.1032 299.6901 -160.6055 -124.9953 559146.9346 4.2175 4.2631 PRESSURE: 401200 121.619 7.81297 -189.094 7.81402 -187.011 77.5507 -189.093 77.5513 126.837 GPRESSURE: 401200 141.767 -0.572629 -137.146 12.3717 -101.764 161.074 -314.265 -3.03925 116.304 PRESSAVG: 401200 11.0857 19.01 -45.4129 19.01 36.8402 28.1173 -45.4129 28.1172 -38.969 GPRESSAVG: 401200 9.3766 18.0913 -44.4701 18.5868 39.2199 28.6855 -49.1542 27.3878 -39.1931 TIMING: 401200 CPU: 1158.65, 0.00288546/step Wall: 1158.65, 0.00288546/step, 3.68601 hours remaining, 205.746094 MB of memory in use. ENERGY: 401200 741.2371 2130.0923 1946.0734 112.8413 -206566.7614 17963.5708 0.0000 0.0000 34140.1834 -149532.7630 298.1547 -183672.9465 -149433.9235 298.7768 20.4818 52.1022 557159.6856 2.9856 3.1345 PRESSURE: 401400 -78.5858 -4.80406 -12.8573 -4.80525 -156.558 27.7941 -12.8567 27.795 -41.5462 GPRESSURE: 401400 -69.5578 13.8186 60.4263 49.5566 -96.6967 -6.46014 -50.7808 32.2904 -8.61434 PRESSAVG: 401400 -20.2825 -62.2889 -9.97487 -62.2889 -26.5261 50.4129 -9.97489 50.4128 18.5585 GPRESSAVG: 401400 -19.5573 -61.9585 -8.1439 -61.2956 -25.452 46.601 -8.31146 52.8626 17.0625 TIMING: 401400 CPU: 1159.23, 0.00288706/step Wall: 1159.23, 0.00288706/step, 3.6879 hours remaining, 205.746094 MB of memory in use. ENERGY: 401400 749.8131 2112.3026 1927.8691 109.1388 -206155.2246 17745.8037 0.0000 0.0000 34126.8664 -149383.4309 298.0384 -183510.2973 -149285.1785 298.6008 -92.2299 -58.2896 556934.2542 -9.4167 -9.3156 PRESSURE: 401600 -186.381 -159.867 -44.1896 -159.868 -345.31 -56.145 -44.1895 -56.1443 48.928 GPRESSURE: 401600 -165.027 -159.448 -58.8826 -252.613 -304.459 -87.1601 -1.0668 -3.18186 78.137 PRESSAVG: 401600 -19.498 34.5255 -55.4188 34.5255 -97.8356 -14.3611 -55.4189 -14.3611 82.519 GPRESSAVG: 401600 -20.2268 34.5794 -58.2847 33.416 -98.8124 -12.1327 -53.7833 -15.469 84.605 TIMING: 401600 CPU: 1159.81, 0.00288309/step Wall: 1159.81, 0.00288309/step, 3.68266 hours remaining, 205.746094 MB of memory in use. ENERGY: 401600 743.8502 2132.3846 1976.7867 120.6592 -206196.6815 17628.9424 0.0000 0.0000 34147.5873 -149446.4711 298.2194 -183594.0585 -149354.7964 298.4755 -160.9211 -130.4498 558761.8979 -11.6049 -11.4781 PRESSURE: 401800 -164.712 115.318 -8.90715 115.318 -124.335 112.775 -8.90784 112.776 46.4827 GPRESSURE: 401800 -63.6944 131.801 116.153 157.894 -152.523 33.117 -37.6601 44.2763 57.7727 PRESSAVG: 401800 -35.7089 -45.0294 -35.3107 -45.0294 75.5946 -45.7493 -35.3107 -45.7493 -0.494916 GPRESSAVG: 401800 -34.6093 -46.8582 -35.8285 -45.5179 76.0574 -45.5542 -34.1211 -44.5912 -1.93973 TIMING: 401800 CPU: 1160.39, 0.00291186/step Wall: 1160.39, 0.00291186/step, 3.71926 hours remaining, 205.746094 MB of memory in use. ENERGY: 401800 718.1980 2058.7337 1990.1433 118.6444 -206197.1159 17612.0328 0.0000 0.0000 34360.9655 -149338.3981 300.0829 -183699.3637 -149233.8126 298.5746 -80.8547 -52.8149 557744.2640 13.1303 13.1695 PRESSURE: 402000 -19.1722 -17.659 115.875 -17.6585 -44.2849 -169.346 115.875 -169.346 102.637 GPRESSURE: 402000 51.9652 -120.574 156.77 12.7137 -26.507 -213.611 30.4394 -180.43 94.6294 PRESSAVG: 402000 3.29 -4.13048 -44.7479 -4.13043 -25.4256 0.803344 -44.7479 0.803368 11.4981 GPRESSAVG: 402000 3.09353 -4.425 -43.1766 -3.43602 -25.4708 2.16115 -46.0791 -1.40098 10.7711 TIMING: 402000 CPU: 1160.97, 0.00288556/step Wall: 1160.97, 0.00288556/step, 3.6855 hours remaining, 205.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 402000 724.1761 2080.3837 1957.2761 118.1205 -206233.6941 17741.0203 0.0000 0.0000 34407.2964 -149205.4210 300.4875 -183612.7173 -149102.3757 298.7721 13.0599 40.0292 556464.9532 -3.5458 -3.8687 PRESSURE: 402200 3.28258 -19.6551 42.8632 -19.6552 28.6389 -53.0644 42.8626 -53.0646 181.096 GPRESSURE: 402200 50.1782 10.4531 32.8676 5.14333 21.4906 5.42611 23.5486 -57.2163 233.814 PRESSAVG: 402200 91.7582 0.250098 20.2623 0.250143 1.9109 -35.0282 20.2622 -35.0281 -76.1817 GPRESSAVG: 402200 90.7347 0.759053 20.2655 -0.999658 1.60627 -36.2087 19.5509 -33.2513 -74.7505 TIMING: 402200 CPU: 1161.55, 0.00289602/step Wall: 1161.55, 0.00289602/step, 3.6987 hours remaining, 205.746094 MB of memory in use. ENERGY: 402200 751.9663 2096.0196 1959.8518 115.8603 -206393.6493 18001.7610 0.0000 0.0000 34332.2576 -149135.9326 299.8321 -183468.1902 -149043.8669 299.1758 71.0059 101.8276 556764.3813 5.8291 5.8635 PRESSURE: 402400 22.5752 -134.203 28.6888 -134.202 221.274 37.3627 28.6882 37.3625 303.91 GPRESSURE: 402400 118.414 -94.3954 35.0341 -228.61 222.691 46.9198 35.2548 58.2042 304.234 PRESSAVG: 402400 -65.162 -7.71998 -0.414975 -7.72008 42.1428 -10.4833 -0.415017 -10.4832 -30.6005 GPRESSAVG: 402400 -65.3743 -6.4099 -0.413523 -8.51023 41.9974 -8.45828 1.06527 -11.4514 -30.6925 TIMING: 402400 CPU: 1162.13, 0.00291058/step Wall: 1162.13, 0.00291058/step, 3.71714 hours remaining, 205.746094 MB of memory in use. ENERGY: 402400 763.4194 2070.2413 1962.0755 113.3994 -206577.6270 18260.7773 0.0000 0.0000 34300.0158 -149107.6983 299.5506 -183407.7141 -149014.3938 298.8160 182.5864 215.1133 558089.8277 -17.8732 -18.0231 PRESSURE: 402600 -168.777 46.3207 -110.224 46.3203 -28.0565 17.5001 -110.225 17.5008 -29.6021 GPRESSURE: 402600 -70.7244 127.38 -117.569 -37.5667 -38.5776 7.87113 -111.372 -29.1693 -23.9519 PRESSAVG: 402600 -6.38871 2.88711 26.3 2.8872 75.9153 -25.5568 26.3001 -25.5568 -81.4439 GPRESSAVG: 402600 -6.27699 2.37682 25.5576 4.18064 76.0972 -26.8994 27.4317 -24.9906 -81.7393 TIMING: 402600 CPU: 1162.7, 0.00288232/step Wall: 1162.7, 0.00288232/step, 3.68089 hours remaining, 205.746094 MB of memory in use. ENERGY: 402600 725.0612 2080.1985 1940.9453 119.6103 -205768.0555 17419.3428 0.0000 0.0000 34307.3376 -149175.5597 299.6145 -183482.8973 -149079.6014 299.1241 -75.4784 -44.4180 557568.8307 -3.9725 -3.9730 PRESSURE: 402800 124.864 -30.7705 -74.6552 -30.7703 -94.9035 -36.3393 -74.6559 -36.3407 -144.958 GPRESSURE: 402800 177.819 -65.643 -69.2872 24.9088 -54.9314 -75.1812 -137.443 61.9118 -140.262 PRESSAVG: 402800 61.6904 -28.0064 -19.1116 -28.0063 -23.5783 -30.5034 -19.1117 -30.5033 -52.1435 GPRESSAVG: 402800 60.5244 -26.1865 -18.8532 -29.6455 -23.4728 -30.4084 -20.8043 -30.5275 -52.2013 TIMING: 402800 CPU: 1163.29, 0.00291692/step Wall: 1163.29, 0.00291692/step, 3.72491 hours remaining, 205.746094 MB of memory in use. ENERGY: 402800 743.8090 2104.4872 1945.2119 108.3392 -206257.3714 17859.5944 0.0000 0.0000 34298.2423 -149197.6874 299.5351 -183495.9297 -149099.5083 299.6948 -38.3325 -5.7915 557126.2351 -4.6771 -5.0499 PRESSURE: 403000 52.5734 -26.8854 -28.9524 -26.8861 -106.362 25.114 -28.9534 25.1153 -77.7231 GPRESSURE: 403000 169.987 -43.691 -48.3149 -31.365 -85.7291 64.9293 -31.3037 -90.7608 -133.867 PRESSAVG: 403000 22.5542 -10.6934 70.8815 -10.6933 -32.2527 -31.7958 70.8815 -31.7958 29.8791 GPRESSAVG: 403000 22.8835 -9.37635 69.3169 -11.4818 -32.7388 -34.076 72.5939 -31.0273 29.4788 TIMING: 403000 CPU: 1163.87, 0.00291371/step Wall: 1163.87, 0.00291371/step, 3.72065 hours remaining, 205.800781 MB of memory in use. ENERGY: 403000 770.2255 2119.7254 1921.9904 115.5645 -206157.8206 17716.3881 0.0000 0.0000 34424.8967 -149089.0301 300.6412 -183513.9268 -148989.1383 299.8395 -43.8372 -16.5364 556577.7349 6.7269 6.5412 PRESSURE: 403200 67.4412 21.9951 24.2571 21.995 232.94 32.081 24.2566 32.0802 379.349 GPRESSURE: 403200 95.5604 47.2973 11.5989 -43.4864 285.644 143.45 52.3543 2.15225 409.604 PRESSAVG: 403200 31.0997 26.7433 -20.6218 26.7434 -1.25738 -3.6047 -20.6219 -3.60472 -31.6516 GPRESSAVG: 403200 30.7067 22.9915 -18.9513 30.4103 -0.739076 -3.37576 -21.2202 -1.55354 -31.8648 TIMING: 403200 CPU: 1164.46, 0.00294054/step Wall: 1164.46, 0.00294054/step, 3.75475 hours remaining, 205.800781 MB of memory in use. ENERGY: 403200 727.0031 2157.5497 1944.9654 103.6282 -206427.1975 18032.8609 0.0000 0.0000 34271.5923 -149189.5981 299.3023 -183461.1904 -149086.8163 300.0698 226.5768 263.6026 556497.2163 -0.6031 -0.6324 PRESSURE: 403400 178.216 117.837 -46.4644 117.839 -229.859 90.1246 -46.4655 90.123 88.6769 GPRESSURE: 403400 176.61 92.3829 -45.4177 140.272 -168.07 86.9778 -20.9309 136.502 132.014 PRESSAVG: 403400 21.5136 8.9064 -18.6478 8.90638 -28.0903 -6.96203 -18.6479 -6.96203 -17.8342 GPRESSAVG: 403400 22.0497 9.29073 -19.7228 7.83945 -28.2645 -5.27803 -19.0893 -9.65431 -18.0731 TIMING: 403400 CPU: 1165.04, 0.00291927/step Wall: 1165.04, 0.00291927/step, 3.72742 hours remaining, 205.800781 MB of memory in use. ENERGY: 403400 743.0325 2025.5671 1975.6189 121.4207 -206329.3077 17940.4779 0.0000 0.0000 34309.0670 -149214.1236 299.6296 -183523.1906 -149118.5479 298.8009 12.3448 46.8516 557197.8350 -8.1370 -8.0960 PRESSURE: 403600 175.693 100.208 125.166 100.21 -160.043 -13.4061 125.167 -13.4051 125.81 GPRESSURE: 403600 252.287 156.32 41.8203 35.2977 -107.724 -33.2958 154.71 8.97942 84.8099 PRESSAVG: 403600 81.2315 17.1683 -9.90522 17.1683 -57.1767 63.7413 -9.90516 63.7414 -20.2025 GPRESSAVG: 403600 81.1485 18.3962 -8.1488 15.379 -57.6256 63.9324 -10.9751 64.0829 -19.7085 TIMING: 403600 CPU: 1165.62, 0.00290948/step Wall: 1165.62, 0.00290948/step, 3.71476 hours remaining, 205.800781 MB of memory in use. ENERGY: 403600 735.3502 2113.8810 1937.3212 112.9461 -206193.7530 17895.2573 0.0000 0.0000 34001.1304 -149397.8668 296.9403 -183398.9972 -149298.6582 299.0715 47.1532 76.4578 557628.4856 1.2841 1.2714 PRESSURE: 403800 6.95434 51.232 -183.748 51.2322 -193.532 19.6863 -183.748 19.6849 62.8188 GPRESSURE: 403800 68.8639 143.77 -119.787 113.52 -214.677 54.8786 -202.695 61.7044 121.892 PRESSAVG: 403800 -8.2935 17.995 -60.7186 17.9949 -14.2238 -32.8032 -60.7186 -32.8032 13.8385 GPRESSAVG: 403800 -8.61895 16.039 -61.5459 19.3331 -13.5862 -31.9214 -58.5594 -33.7842 14.1342 TIMING: 403800 CPU: 1166.2, 0.00286723/step Wall: 1166.2, 0.00286723/step, 3.66066 hours remaining, 205.800781 MB of memory in use. ENERGY: 403800 730.5184 2098.1174 1965.5570 111.3134 -205843.4981 17466.5212 0.0000 0.0000 33970.8139 -149500.6568 296.6756 -183471.4706 -149404.1773 299.1090 -41.2529 -7.9737 556789.3189 -2.8929 -2.6903 PRESSURE: 404000 -138.922 76.9633 -131.595 76.9634 -310.474 -109.389 -131.594 -109.389 92.9052 GPRESSURE: 404000 -169.025 108.677 -31.5035 79.1741 -195.86 -108.247 -71.1982 -135.989 91.9474 PRESSAVG: 404000 -39.0819 50.6625 -73.3644 50.6625 -49.4782 -37.7089 -73.3644 -37.7089 106.652 GPRESSAVG: 404000 -38.7754 51.5479 -73.8933 51.3354 -50.0702 -41.1727 -74.2561 -35.8384 106.984 TIMING: 404000 CPU: 1166.78, 0.00288507/step Wall: 1166.78, 0.00288507/step, 3.68327 hours remaining, 205.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 404000 723.2837 2062.2281 1938.5687 109.8335 -206557.6878 17795.8754 0.0000 0.0000 34386.1881 -149541.7104 300.3031 -183927.8984 -149441.9357 298.2290 -118.8303 -90.9793 556773.0356 6.0305 6.0462 PRESSURE: 404200 9.54904 -7.90268 116.977 -7.90269 -10.1632 25.2071 116.979 25.2066 -14.8753 GPRESSURE: 404200 33.6004 1.27086 -13.0863 -8.60837 59.171 53.4606 128.365 15.8114 -11.3001 PRESSAVG: 404200 -73.8445 36.955 -1.73114 36.9551 -6.20391 -7.25148 -1.73108 -7.25146 24.2955 GPRESSAVG: 404200 -74.4143 39.8813 -3.24992 33.3942 -5.1576 -5.74554 1.79696 -7.44022 23.6861 TIMING: 404200 CPU: 1167.36, 0.00290272/step Wall: 1167.36, 0.00290272/step, 3.70565 hours remaining, 205.800781 MB of memory in use. ENERGY: 404200 712.4980 2098.2559 1965.9109 119.2403 -206749.1502 17940.7502 0.0000 0.0000 34238.8194 -149673.6754 299.0161 -183912.4948 -149580.1710 297.7826 -5.1632 27.1571 556572.7104 -18.5843 -18.6286 LDB: ============= START OF LOAD BALANCING ============== 1170.74 LDB: ============== END OF LOAD BALANCING =============== 1170.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1170.74 LDB: ============= START OF LOAD BALANCING ============== 1171.03 LDB: Largest compute 4822 load 0.025688 is 21.8% of average load 0.117892 LDB: Average compute 0.001721 is 1.5% of average load 0.117892 LDB: TIME 1171.03 LOAD: AVG 0.117892 MAX 0.182795 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.5 MB LDB: TIME 1171.03 LOAD: AVG 0.117892 MAX 0.182795 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.574 MB LDB: TIME 1171.03 LOAD: AVG 0.117892 MAX 0.182795 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.574 MB LDB: ============== END OF LOAD BALANCING =============== 1171.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1171.04 PRESSURE: 404400 -156.847 -25.0835 -17.23 -25.083 60.2743 -31.3763 -17.2299 -31.3759 111.587 GPRESSURE: 404400 -79.3671 -0.439477 -51.3347 5.12785 42.5739 -38.1829 9.84835 15.974 146.853 PRESSAVG: 404400 -51.6308 -32.8389 -16.6493 -32.839 97.9105 8.59361 -16.6493 8.59361 -22.8973 GPRESSAVG: 404400 -51.89 -34.6446 -16.2016 -31.1274 97.0539 9.16187 -19.3625 6.45503 -21.9424 TIMING: 404400 CPU: 1167.94, 0.00294132/step Wall: 1167.94, 0.00294132/step, 3.75476 hours remaining, 205.089844 MB of memory in use. ENERGY: 404400 741.8549 2105.6191 1958.4772 99.1812 -206715.6054 17975.7356 0.0000 0.0000 34048.9983 -149785.7391 297.3584 -183834.7374 -149694.6499 297.8854 5.0049 36.6867 555305.2677 7.7942 7.7405 PRESSURE: 404600 -98.2671 -194.468 299.358 -194.467 18.707 -35.4118 299.359 -35.4113 -297.901 GPRESSURE: 404600 -49.3272 -178.098 357.165 -169.318 50.0173 -47.9233 235.751 1.90204 -273.772 PRESSAVG: 404600 2.10571 4.89545 -14.2947 4.89546 72.5945 -2.40283 -14.2946 -2.40283 -91.9976 GPRESSAVG: 404600 2.06064 5.0684 -10.6917 5.62505 71.9668 -3.40845 -16.8796 0.476527 -92.0251 TIMING: 404600 CPU: 1168.52, 0.00290213/step Wall: 1168.52, 0.00290213/step, 3.70457 hours remaining, 205.089844 MB of memory in use. ENERGY: 404600 729.7148 2059.1868 1967.3136 110.3472 -206727.9600 17804.2864 0.0000 0.0000 34323.4081 -149733.7032 299.7549 -184057.1113 -149635.2234 298.1879 -125.8203 -91.0274 556654.0936 -5.7658 -5.9992 PRESSURE: 404800 -90.904 120.71 1.59947 120.71 -191.591 -154.903 1.60014 -154.901 -341.772 GPRESSURE: 404800 -115.442 72.4418 -73.7368 189.725 -125.575 -209.416 119.644 -147.263 -278.972 PRESSAVG: 404800 -92.9228 20.6345 49.6569 20.6344 64.9482 -8.85779 49.657 -8.85771 21.6083 GPRESSAVG: 404800 -91.908 20.6993 46.3373 19.7773 63.9372 -6.00375 52.2434 -12.2919 21.7141 TIMING: 404800 CPU: 1169.1, 0.00288081/step Wall: 1169.1, 0.00288081/step, 3.67719 hours remaining, 205.089844 MB of memory in use. ENERGY: 404800 745.9119 2167.0143 1932.6969 120.6954 -206256.7607 17605.9262 0.0000 0.0000 34130.8603 -149553.6556 298.0733 -183684.5159 -149455.1526 298.5057 -208.0893 -173.3296 557494.6113 -2.1221 -2.0856 PRESSURE: 405000 140.696 27.4683 107.657 27.4677 -2.04223 -33.846 107.658 -33.8449 44.0685 GPRESSURE: 405000 118.662 -48.2976 155.113 83.319 59.005 -63.2512 39.4761 -54.8898 107.999 PRESSAVG: 405000 -55.325 10.1981 -8.5342 10.1981 82.4029 -66.2883 -8.5341 -66.2883 -36.5472 GPRESSAVG: 405000 -55.982 8.72106 -7.3238 10.9251 82.5119 -69.9353 -9.80589 -62.8596 -36.4691 TIMING: 405000 CPU: 1169.68, 0.00288773/step Wall: 1169.68, 0.00288773/step, 3.68586 hours remaining, 205.089844 MB of memory in use. ENERGY: 405000 725.7970 2144.3217 1945.7408 111.7651 -206642.8608 17851.6604 0.0000 0.0000 34132.5995 -149730.9762 298.0885 -183863.5758 -149624.6272 297.8448 60.9073 95.2219 555701.0368 -3.1564 -3.3131 PRESSURE: 405200 53.4598 -31.4169 -165.205 -31.4177 -26.5583 -90.0145 -165.205 -90.0132 -95.1401 GPRESSURE: 405200 9.84094 -8.49352 -124.91 -51.4855 24.6949 -29.9985 -210.698 -164.222 -6.0199 PRESSAVG: 405200 -29.2045 -13.6892 12.8809 -13.6893 6.2322 23.0207 12.881 23.0206 78.6842 GPRESSAVG: 405200 -29.4659 -14.9934 11.2715 -11.7445 6.66859 25.4776 15.2282 21.124 78.6051 TIMING: 405200 CPU: 1170.25, 0.00286085/step Wall: 1170.25, 0.00286085/step, 3.6514 hours remaining, 205.089844 MB of memory in use. ENERGY: 405200 740.7539 2066.1565 1964.0208 105.5357 -206463.2354 17772.9855 0.0000 0.0000 34348.2470 -149465.5360 299.9718 -183813.7830 -149365.1761 298.6348 -22.7462 9.5053 556500.6354 18.5706 18.6026 PRESSURE: 405400 117.729 -22.1714 -44.9469 -22.1694 256.085 0.396067 -44.9466 0.39586 -94.0747 GPRESSURE: 405400 77.4997 -54.6394 -28.9319 -62.2514 306.851 52.0144 -18.7367 14.2699 -13.4398 PRESSAVG: 405400 -34.9932 -6.33633 -33.482 -6.3363 19.728 35.7003 -33.482 35.7002 -19.4192 GPRESSAVG: 405400 -34.9009 -3.61312 -31.8399 -7.04981 19.5435 35.1665 -36.4403 36.2848 -19.9657 TIMING: 405400 CPU: 1170.83, 0.00289683/step Wall: 1170.83, 0.00289683/step, 3.69717 hours remaining, 205.089844 MB of memory in use. ENERGY: 405400 735.3573 2129.3826 1928.0707 126.0707 -206611.8339 18097.8838 0.0000 0.0000 34044.7563 -149550.3125 297.3213 -183595.0688 -149456.5853 298.2552 93.2463 123.6370 556319.4651 -11.5615 -11.7744 PRESSURE: 405600 288.697 -23.3809 -131.265 -23.3815 294.387 -99.7579 -131.265 -99.757 -4.51504 GPRESSURE: 405600 369.427 -24.2657 -83.0533 36.8968 274.01 -26.3301 -170.921 -156.731 50.0208 PRESSAVG: 405600 -34.7494 -22.2284 -15.4088 -22.2284 10.0105 -78.374 -15.4088 -78.3739 14.0955 GPRESSAVG: 405600 -35.1108 -21.9374 -17.216 -21.9829 8.47715 -75.3784 -14.0841 -81.0995 15.7339 TIMING: 405600 CPU: 1171.41, 0.0028973/step Wall: 1171.41, 0.00289731/step, 3.69761 hours remaining, 205.089844 MB of memory in use. ENERGY: 405600 752.5181 2117.5133 1942.6029 123.3288 -206900.0929 18195.0073 0.0000 0.0000 34176.5497 -149592.5728 298.4723 -183769.1225 -149498.9265 298.7912 192.8563 231.1529 556497.4749 -3.5478 -3.6333 PRESSURE: 405800 238.796 32.5211 -112.558 32.5215 149.323 -81.9578 -112.557 -81.9572 361.548 GPRESSURE: 405800 375.049 6.90767 -72.9657 -41.6729 164.125 -70.0628 -58.4896 -105.608 302.912 PRESSAVG: 405800 11.5167 -6.29582 -66.569 -6.29584 76.2359 -68.3013 -66.5691 -68.3012 -58.7563 GPRESSAVG: 405800 12.3132 -5.80089 -65.7613 -6.86743 77.0278 -70.0305 -65.7155 -64.4725 -60.0374 TIMING: 405800 CPU: 1171.99, 0.00291517/step Wall: 1171.99, 0.00291517/step, 3.72025 hours remaining, 205.089844 MB of memory in use. ENERGY: 405800 745.9694 2123.0802 1948.7677 105.6798 -206753.8056 18120.7733 0.0000 0.0000 34180.7774 -149528.7579 298.5092 -183709.5353 -149421.3115 298.1343 249.8887 280.6954 557210.3321 9.6654 9.7679 PRESSURE: 406000 191.295 -158.384 -65.4236 -158.384 366.04 -101.159 -65.4251 -101.159 43.9394 GPRESSURE: 406000 161.975 -171.589 -40.8453 -93.1254 447.792 -182.281 -45.6206 -22.0014 81.1383 PRESSAVG: 406000 -43.2967 -9.88643 41.9801 -9.88647 53.3094 -31.074 41.9801 -31.074 -44.2531 GPRESSAVG: 406000 -44.1897 -8.89672 42.0438 -10.929 53.0684 -32.7662 40.4748 -33.446 -43.6649 TIMING: 406000 CPU: 1172.57, 0.00288957/step Wall: 1172.57, 0.00288957/step, 3.68741 hours remaining, 205.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 406000 722.3706 2125.7445 1976.1897 127.5962 -206910.2109 18160.2345 0.0000 0.0000 34136.5856 -149661.4897 298.1233 -183798.0753 -149573.6575 297.8265 200.4248 230.3018 556745.9008 -11.4135 -11.5954 PRESSURE: 406200 73.8913 88.6003 -97.7541 88.5999 138.588 -54.4519 -97.7542 -54.4526 -176.409 GPRESSURE: 406200 112.707 83.4426 -84.7166 102.032 122.121 -26.3997 -75.364 -139.736 -101.182 PRESSAVG: 406200 16.4764 19.4125 -24.4108 19.4124 -15.1321 -57.5947 -24.4109 -57.5948 -39.7194 GPRESSAVG: 406200 16.295 16.9506 -23.012 20.2997 -13.8698 -57.8873 -25.0707 -57.1827 -40.9992 TIMING: 406200 CPU: 1173.15, 0.002883/step Wall: 1173.15, 0.002883/step, 3.67887 hours remaining, 205.089844 MB of memory in use. ENERGY: 406200 759.5588 2141.8490 1956.2040 119.8180 -206496.6641 17920.9171 0.0000 0.0000 33777.9951 -149820.3222 294.9916 -183598.3173 -149726.7625 297.1262 12.0235 44.5488 556843.0584 -12.7917 -12.8580 PRESSURE: 406400 -220.166 -85.2853 -53.4398 -85.2852 -144.42 -76.477 -53.4399 -76.478 83.5467 GPRESSURE: 406400 -206.766 -63.3713 -39.5312 -82.8036 -53.6765 -57.7733 -46.4746 -142.52 78.757 PRESSAVG: 406400 -51.9666 39.5451 89.3651 39.545 -2.22766 -34.1398 89.3651 -34.1399 63.7718 GPRESSAVG: 406400 -50.4671 41.8513 87.0119 39.0614 -3.84024 -33.3273 91.967 -33.7817 63.8617 TIMING: 406400 CPU: 1173.73, 0.00289685/step Wall: 1173.73, 0.00289685/step, 3.69637 hours remaining, 205.089844 MB of memory in use. ENERGY: 406400 734.2581 2091.3133 1954.1549 125.1166 -206590.2561 17754.3084 0.0000 0.0000 34117.3804 -149813.7244 297.9556 -183931.1049 -149720.1760 296.9406 -93.6798 -60.5617 557543.1203 3.1925 3.1848 PRESSURE: 406600 -268.443 115.538 186.415 115.537 -294.044 136.919 186.415 136.916 67.3624 GPRESSURE: 406600 -222.221 112.391 138.799 76.4016 -270.433 136.182 248.058 67.1069 79.9698 PRESSAVG: 406600 -9.61443 48.6264 42.6694 48.6264 -28.7593 -33.4836 42.6694 -33.4835 51.7527 GPRESSAVG: 406600 -11.5214 48.5249 45.8277 48.4071 -27.4512 -35.2651 41.2791 -31.9511 52.9796 TIMING: 406600 CPU: 1174.3, 0.00287959/step Wall: 1174.3, 0.00287959/step, 3.6742 hours remaining, 205.089844 MB of memory in use. ENERGY: 406600 780.2332 2117.7574 1929.6839 120.0136 -206422.9858 17704.4619 0.0000 0.0000 33992.4918 -149778.3440 296.8649 -183770.8358 -149688.9327 296.9787 -165.0415 -137.5616 557339.2230 4.4596 4.6690 PRESSURE: 406800 58.4061 -139.14 -45.0115 -139.141 291.923 65.5134 -45.0128 65.5131 179.348 GPRESSURE: 406800 117.555 -91.2894 -2.86554 -166.639 286.656 24.4838 -39.1811 4.97752 224.96 PRESSAVG: 406800 -7.78665 23.8632 18.092 23.8632 -45.4557 -18.1067 18.092 -18.1066 24.8601 GPRESSAVG: 406800 -6.60945 24.7652 15.5364 23.4381 -45.635 -16.8227 19.143 -19.2711 24.4111 TIMING: 406800 CPU: 1174.88, 0.00289478/step Wall: 1174.88, 0.00289478/step, 3.69341 hours remaining, 205.089844 MB of memory in use. ENERGY: 406800 779.1709 2106.3324 1931.5604 111.5689 -206834.7136 18104.9184 0.0000 0.0000 33990.6891 -149810.4735 296.8491 -183801.1627 -149715.3175 298.1814 176.5590 209.7238 555896.6375 -9.4608 -9.2778 PRESSURE: 407000 -176.695 -13.2144 18.424 -13.2146 -110.102 -44.9814 18.4237 -44.979 -461.151 GPRESSURE: 407000 -188.881 -35.7578 20.9923 -30.9649 -0.666499 -88.7263 -40.6077 -61.6515 -452.075 PRESSAVG: 407000 6.55804 -12.5627 -16.0331 -12.5627 94.8708 17.2192 -16.0331 17.2193 -51.7638 GPRESSAVG: 407000 7.8368 -15.8319 -16.9841 -11.9608 95.5286 15.7268 -16.6309 18.5203 -53.9399 TIMING: 407000 CPU: 1175.46, 0.0028976/step Wall: 1175.46, 0.0028976/step, 3.69685 hours remaining, 205.089844 MB of memory in use. ENERGY: 407000 763.3753 2131.3869 1975.8419 127.2364 -206105.8920 17414.1201 0.0000 0.0000 33901.8937 -149792.0377 296.0737 -183693.9314 -149694.3776 298.1354 -249.3160 -213.8742 557305.5145 16.5550 16.4752 PRESSURE: 407200 -65.5213 92.8319 -0.918858 92.8318 -53.9758 -107.047 -0.918233 -107.048 34.0032 GPRESSURE: 407200 -60.3506 109.315 76.3799 159.404 -21.6311 -65.3644 47.6193 -85.5175 90.0539 PRESSAVG: 407200 33.6336 25.635 14.9806 25.6351 10.5573 0.113673 14.9806 0.113585 -46.4399 GPRESSAVG: 407200 31.6003 26.152 16.9989 26.0463 10.2661 -1.08549 13.3684 -0.666657 -44.4243 TIMING: 407200 CPU: 1176.04, 0.002898/step Wall: 1176.04, 0.002898/step, 3.69721 hours remaining, 205.089844 MB of memory in use. ENERGY: 407200 750.5624 2138.4149 1952.6418 115.1238 -206782.5899 17997.7260 0.0000 0.0000 34127.5469 -149700.5742 298.0444 -183828.1210 -149602.6245 298.1385 -28.4980 2.6907 558376.7398 -0.7497 -0.8526 PRESSURE: 407400 24.1987 -29.5269 -50.8295 -29.5264 -3.24523 44.956 -50.8308 44.955 207.318 GPRESSURE: 407400 88.2866 -8.65631 -73.2533 -52.1526 -21.5724 125.33 -40.879 50.286 256.833 PRESSAVG: 407400 55.3258 -10.2562 -15.3451 -10.2562 -36.3873 33.5023 -15.3451 33.5024 -3.0011 GPRESSAVG: 407400 54.8489 -10.6788 -15.3233 -10.6741 -36.5817 36.6384 -13.8105 31.8571 -2.18491 TIMING: 407400 CPU: 1176.62, 0.00289573/step Wall: 1176.62, 0.00289573/step, 3.69415 hours remaining, 205.089844 MB of memory in use. ENERGY: 407400 743.6601 2075.4115 1932.4677 121.8742 -206683.3784 17920.7794 0.0000 0.0000 34173.1894 -149715.9962 298.4430 -183889.1856 -149621.8249 298.3095 76.0906 107.8491 555967.8607 5.3125 5.3608 PRESSURE: 407600 137.055 46.8022 -97.5915 46.8021 41.3936 -38.3927 -97.5905 -38.3928 -16.8608 GPRESSURE: 407600 147.512 25.4328 -99.6737 -26.0304 81.201 -101.223 -169.025 -63.5023 48.7727 PRESSAVG: 407600 -8.78362 -9.55343 -17.1507 -9.55337 -19.9472 19.1192 -17.1507 19.1193 29.8356 GPRESSAVG: 407600 -8.46801 -6.06751 -17.2302 -10.5477 -20.3294 18.5922 -19.1161 20.6446 30.1487 TIMING: 407600 CPU: 1177.2, 0.00289842/step Wall: 1177.2, 0.00289842/step, 3.69742 hours remaining, 205.089844 MB of memory in use. ENERGY: 407600 728.6012 2094.3576 1966.2294 113.5725 -206437.5061 17867.6034 0.0000 0.0000 34137.8331 -149529.3088 298.1342 -183667.1419 -149436.7104 298.0228 53.8627 92.4953 556401.9294 0.3682 0.4505 PRESSURE: 407800 -46.6838 57.8831 -7.09897 57.8829 -43.991 188.156 -7.09819 188.156 -71.9025 GPRESSURE: 407800 -29.6547 -73.6091 20.0262 114.085 -39.0846 155.102 -2.01746 135.822 4.34187 PRESSAVG: 407800 13.1406 -11.3404 8.55536 -11.3404 56.71 18.5029 8.55533 18.5028 -34.3675 GPRESSAVG: 407800 14.0418 -13.1287 6.52536 -11.3004 55.0838 16.8634 11.6526 20.4463 -33.719 TIMING: 407800 CPU: 1177.78, 0.00288164/step Wall: 1177.78, 0.00288164/step, 3.67585 hours remaining, 205.289062 MB of memory in use. ENERGY: 407800 756.5742 2066.5839 1935.8022 113.9918 -206449.7082 17698.7425 0.0000 0.0000 34375.5369 -149502.4767 300.2101 -183878.0136 -149405.5187 299.1872 -54.1924 -21.4658 555691.3606 11.8277 11.8022 PRESSURE: 408000 -122.366 72.4615 -21.3413 72.4616 163.536 -152.696 -21.3415 -152.697 392.567 GPRESSURE: 408000 -91.0637 -19.0595 -35.1616 115.099 167.989 -50.4636 -4.85003 -165.81 446.404 PRESSAVG: 408000 -76.5704 -12.733 -42.2194 -12.7331 21.3052 -49.5576 -42.2194 -49.5577 -10.5293 GPRESSAVG: 408000 -77.5344 -13.7894 -41.5767 -12.0641 23.0679 -47.1599 -42.144 -52.0147 -11.395 TIMING: 408000 CPU: 1178.35, 0.00287145/step Wall: 1178.35, 0.00287145/step, 3.66269 hours remaining, 205.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 408000 748.6353 2131.0679 1951.5839 125.0903 -206499.5759 17960.0578 0.0000 0.0000 34164.5317 -149418.6091 298.3674 -183583.1407 -149324.5133 299.3945 144.5791 174.4431 557177.0827 -21.9315 -21.9538 PRESSURE: 408200 90.0021 -130.625 279.37 -130.624 -35.0934 143.794 279.369 143.794 -213.615 GPRESSURE: 408200 73.0375 -129.88 275.575 -18.2729 50.306 150.174 314.702 130.537 -179.853 PRESSAVG: 408200 -25.0156 -34.674 65.4239 -34.674 64.176 -37.3037 65.4239 -37.3038 -56.9837 GPRESSAVG: 408200 -24.6152 -33.7834 66.4422 -35.0319 64.4023 -40.3493 63.6096 -35.6437 -57.1883 TIMING: 408200 CPU: 1178.92, 0.00287677/step Wall: 1178.92, 0.00287677/step, 3.66932 hours remaining, 205.289062 MB of memory in use. ENERGY: 408200 723.0864 2073.3604 1979.0926 109.1790 -206267.0986 17765.6451 0.0000 0.0000 34250.1932 -149366.5418 299.1155 -183616.7350 -149270.1398 298.5395 -52.9023 -18.8364 556387.1874 -5.9411 -5.8004 LDB: ============= START OF LOAD BALANCING ============== 1182.31 LDB: ============== END OF LOAD BALANCING =============== 1182.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1182.31 LDB: ============= START OF LOAD BALANCING ============== 1182.6 LDB: Largest compute 4822 load 0.027025 is 22.9% of average load 0.117870 LDB: Average compute 0.001722 is 1.5% of average load 0.117870 LDB: TIME 1182.6 LOAD: AVG 0.11787 MAX 0.18375 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.543 MB LDB: TIME 1182.6 LOAD: AVG 0.11787 MAX 0.18375 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.605 MB LDB: TIME 1182.6 LOAD: AVG 0.11787 MAX 0.18375 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1182.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1182.61 PRESSURE: 408400 -126.033 -171.68 -110.597 -171.68 -145.102 -128.676 -110.597 -128.676 -22.8257 GPRESSURE: 408400 -141.043 -170.077 -1.88446 -154.955 -103.136 -123.553 -194.633 -84.5361 41.0969 PRESSAVG: 408400 30.1197 13.2756 50.2114 13.2757 30.2828 -42.8966 50.2114 -42.8967 -62.6102 GPRESSAVG: 408400 31.5311 13.8009 49.3947 13.0011 29.4887 -39.7199 49.2882 -43.1108 -63.0635 TIMING: 408400 CPU: 1179.52, 0.00295077/step Wall: 1179.52, 0.00295077/step, 3.76354 hours remaining, 205.031250 MB of memory in use. ENERGY: 408400 762.0110 2056.5740 1970.0802 103.0312 -206351.8905 17719.6784 0.0000 0.0000 34375.7495 -149364.7661 300.2120 -183740.5156 -149266.8435 298.8685 -97.9870 -67.6940 556160.0845 -0.7359 -0.6812 PRESSURE: 408600 -29.0161 32.7136 286.253 32.7154 236.92 23.1047 286.252 23.1026 67.8233 GPRESSURE: 408600 49.6248 27.8856 178.743 -17.6395 236.776 53.622 269.722 -0.318133 89.2841 PRESSAVG: 408600 37.7657 -13.1809 40.5692 -13.181 -38.2795 -49.1158 40.5692 -49.1158 -20.4247 GPRESSAVG: 408600 37.5304 -15.5477 38.7929 -11.9478 -37.4823 -50.7108 44.1506 -48.2039 -20.9946 TIMING: 408600 CPU: 1180.09, 0.00288262/step Wall: 1180.09, 0.00288262/step, 3.67647 hours remaining, 205.031250 MB of memory in use. ENERGY: 408600 692.9501 2122.0707 1942.7325 97.9260 -205939.1539 17738.2169 0.0000 0.0000 34091.6917 -149253.5660 297.7312 -183345.2577 -149163.6678 299.3853 91.9091 125.2284 555314.7908 -6.9795 -6.9822 PRESSURE: 408800 43.3133 1.13271 101.58 1.13308 -195.61 -39.4987 101.58 -39.4971 76.8046 GPRESSURE: 408800 87.9244 23.5265 104.997 32.9833 -142.751 -12.469 79.4925 39.5197 80.1432 PRESSAVG: 408800 -8.70538 -2.93973 -1.97429 -2.93968 19.5167 27.8957 -1.97444 27.8956 -37.6208 GPRESSAVG: 408800 -9.04345 -1.06022 -1.54026 -5.29775 18.7378 25.5204 -2.20814 27.2595 -35.5834 TIMING: 408800 CPU: 1180.67, 0.00289057/step Wall: 1180.67, 0.00289057/step, 3.68645 hours remaining, 205.031250 MB of memory in use. ENERGY: 408800 712.0431 2111.3540 1962.3980 105.7184 -206028.2608 17651.2570 0.0000 0.0000 34306.6978 -149178.7925 299.6089 -183485.4903 -149087.0624 299.4708 -25.1639 8.4388 554822.1809 -8.9365 -8.6297 PRESSURE: 409000 -72.0265 3.69008 67.5035 3.68944 139.211 114.393 67.504 114.393 -28.2791 GPRESSURE: 409000 -43.6173 19.1626 -35.5646 -25.9458 124.598 100.463 117.522 59.7575 56.9459 PRESSAVG: 409000 2.65274 15.197 40.7692 15.1969 29.9891 41.1866 40.7692 41.1866 -34.4268 GPRESSAVG: 409000 2.2386 14.7747 43.1714 16.4497 29.792 45.4365 38.0458 40.0019 -33.6146 TIMING: 409000 CPU: 1181.25, 0.00289317/step Wall: 1181.25, 0.00289317/step, 3.68959 hours remaining, 205.031250 MB of memory in use. ENERGY: 409000 737.0091 2056.8532 1932.3113 113.3442 -206101.9943 17680.9403 0.0000 0.0000 34683.3789 -148898.1573 302.8986 -183581.5361 -148803.4019 300.5286 12.9683 45.9755 556399.1970 -0.5950 -0.5280 PRESSURE: 409200 -204.194 -47.5028 -81.5182 -47.5025 82.6031 19.9831 -81.5174 19.9837 -151.615 GPRESSURE: 409200 -105.964 -104.204 -69.9335 -75.1409 83.6634 -62.7488 -72.3736 32.2204 -145.899 PRESSAVG: 409200 -25.0124 -3.83071 -4.34921 -3.83073 -35.436 9.02542 -4.34929 9.02546 43.5137 GPRESSAVG: 409200 -25.5051 -5.23998 -4.26402 -3.4922 -34.4917 6.28861 -3.48136 10.0973 42.5787 TIMING: 409200 CPU: 1181.83, 0.00289097/step Wall: 1181.83, 0.00289097/step, 3.68663 hours remaining, 205.273438 MB of memory in use. ENERGY: 409200 714.6599 2042.9126 1959.9585 106.3465 -205742.4911 17475.3997 0.0000 0.0000 34417.5815 -149025.6325 300.5773 -183443.2140 -148928.4583 300.2662 -91.0688 -56.0664 557429.6689 -5.6449 -5.8060 PRESSURE: 409400 98.2506 -129.634 6.0232 -129.635 -220.933 -148.984 6.02318 -148.983 -14.0781 GPRESSURE: 409400 129.993 -46.5634 22.2569 -122.846 -201.517 -79.73 12.7956 -219.131 16.8526 PRESSAVG: 409400 -46.6062 0.0594677 22.7331 0.0595209 -4.98589 -32.3401 22.7331 -32.3402 65.3301 GPRESSAVG: 409400 -45.0444 -0.207779 21.8028 0.870286 -6.49192 -30.401 23.4951 -32.291 65.4396 TIMING: 409400 CPU: 1182.41, 0.00289608/step Wall: 1182.41, 0.00289608/step, 3.69298 hours remaining, 205.273438 MB of memory in use. ENERGY: 409400 799.6732 2104.1875 1955.9335 119.6862 -206139.6188 17947.4248 0.0000 0.0000 34281.0842 -148931.6295 299.3852 -183212.7137 -148842.9896 299.6555 -45.5868 -18.2238 558222.7480 4.5793 4.6344 PRESSURE: 409600 148.669 -77.0296 -57.2248 -77.0297 -34.2733 39.5471 -57.2257 39.5475 66.1435 GPRESSURE: 409600 156.533 -11.3601 -37.5322 10.0872 39.7421 0.391611 44.092 -3.39985 69.2491 PRESSAVG: 409600 58.4668 -52.9903 44.4414 -52.9903 -44.7589 -4.92932 44.4413 -4.92936 -40.2942 GPRESSAVG: 409600 58.447 -50.5306 43.88 -54.9904 -44.0997 -5.1768 43.3877 -6.02058 -41.1626 TIMING: 409600 CPU: 1182.98, 0.00288511/step Wall: 1182.98, 0.00288511/step, 3.67884 hours remaining, 205.273438 MB of memory in use. ENERGY: 409600 767.1286 2088.4721 1949.6717 113.7310 -205849.4774 17764.4066 0.0000 0.0000 34274.0244 -148892.0429 299.3236 -183166.0673 -148800.6049 300.0475 60.1797 88.5079 556893.4847 -8.8621 -8.9384 PRESSURE: 409800 -128.681 -95.6097 -112.408 -95.6081 160.103 -90.3231 -112.408 -90.3208 -10.3533 GPRESSURE: 409800 -52.6535 -88.3175 -67.9212 17.5905 183.854 -66.0157 -127.695 -137.43 -14.7092 PRESSAVG: 409800 50.5447 -3.47678 -27.461 -3.47684 -42.0692 4.94761 -27.461 4.94762 39.3035 GPRESSAVG: 409800 50.115 -3.04809 -25.4024 -3.60466 -42.7185 3.69982 -26.4264 5.8566 40.5802 TIMING: 409800 CPU: 1183.56, 0.00290366/step Wall: 1183.56, 0.00290366/step, 3.70232 hours remaining, 205.273438 MB of memory in use. ENERGY: 409800 732.3801 2101.0162 1964.8042 114.3772 -205625.6369 17517.6241 0.0000 0.0000 34280.6767 -148914.7584 299.3817 -183195.4351 -148815.7777 299.6493 7.0229 38.8303 556055.9444 15.9263 15.9923 PRESSURE: 410000 -176.222 107.44 53.7129 107.441 274.857 -72.9398 53.7133 -72.9404 -23.6668 GPRESSURE: 410000 -145.815 23.0308 30.0055 103.84 311.834 -76.8765 -30.9691 -45.5776 23.5169 PRESSAVG: 410000 12.936 53.5172 0.197617 53.5173 9.67365 -14.0599 0.197561 -14.0599 -53.389 GPRESSAVG: 410000 12.899 51.7233 1.46785 53.8252 9.79954 -13.3376 -1.05989 -14.499 -53.596 TIMING: 410000 CPU: 1184.14, 0.00288063/step Wall: 1184.14, 0.00288063/step, 3.67281 hours remaining, 205.273438 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: 410000 750.9295 2061.9286 1947.4706 113.2870 -205954.9064 17731.1637 0.0000 0.0000 34460.1210 -148890.0061 300.9488 -183350.1270 -148791.2533 300.8600 24.9892 63.1787 557267.3171 -10.2598 -10.2992 PRESSURE: 410200 -131.581 82.4198 31.9666 82.4202 -62.0309 -48.3598 31.966 -48.3602 -240.62 GPRESSURE: 410200 -124.586 58.3753 69.2635 38.0696 -41.5664 -121.56 64.1692 -21.8801 -168.919 PRESSAVG: 410200 29.2921 11.2475 37.7851 11.2475 71.6449 -19.4268 37.7851 -19.4267 -79.6432 GPRESSAVG: 410200 29.2815 11.2998 36.0296 11.7811 71.3769 -17.7273 40.0146 -18.7763 -79.525 TIMING: 410200 CPU: 1184.71, 0.00287427/step Wall: 1184.71, 0.00287427/step, 3.66454 hours remaining, 205.273438 MB of memory in use. ENERGY: 410200 743.6220 2167.4744 1910.6776 111.9576 -205779.5822 17563.1641 0.0000 0.0000 34331.0686 -148951.6178 299.8218 -183282.6865 -148849.8523 300.3274 -144.7440 -111.6904 556604.5550 7.0980 7.0445 PRESSURE: 410400 -260.095 -19.6408 -108.949 -19.6416 -287.59 -19.6623 -108.948 -19.6619 -242.729 GPRESSURE: 410400 -230.852 43.7656 -137.912 2.76043 -236.583 -14.0862 -133.511 -53.7577 -210.767 PRESSAVG: 410400 -2.50546 9.72367 29.6909 9.72369 39.7421 -12.2942 29.6908 -12.2942 -36.9888 GPRESSAVG: 410400 -3.01218 10.9889 30.973 8.79414 40.3247 -12.3328 28.6173 -13.1516 -37.1954 TIMING: 410400 CPU: 1185.29, 0.00286874/step Wall: 1185.29, 0.00286874/step, 3.65733 hours remaining, 205.273438 MB of memory in use. ENERGY: 410400 742.6746 2136.8166 1949.0621 118.4071 -205676.8907 17460.8481 0.0000 0.0000 34310.9709 -148958.1112 299.6462 -183269.0822 -148862.2407 300.2891 -263.4714 -226.0674 557942.7956 0.0826 0.0390 PRESSURE: 410600 -125.184 21.4136 52.695 21.4131 -142.937 18.6379 52.6937 18.6377 -313.248 GPRESSURE: 410600 -121.1 -12.2416 -9.84343 60.5839 -143.827 66.6413 23.2228 -5.19317 -215.212 PRESSAVG: 410600 50.7943 -8.22504 5.24555 -8.22503 -10.3789 -21.5139 5.24566 -21.5139 -33.6396 GPRESSAVG: 410600 52.2959 -9.54134 3.45913 -5.90916 -11.3311 -22.9678 6.05218 -18.2921 -34.7251 TIMING: 410600 CPU: 1185.86, 0.00287552/step Wall: 1185.86, 0.00287552/step, 3.66581 hours remaining, 205.273438 MB of memory in use. ENERGY: 410600 712.8773 2118.1680 1944.5250 107.9529 -205417.7723 17333.7982 0.0000 0.0000 34198.4467 -149002.0043 298.6635 -183200.4510 -148900.5899 300.0471 -193.7895 -160.0461 559408.6836 2.2586 2.0799 PRESSURE: 410800 -331.34 54.949 -57.2783 54.9485 -89.1896 99.1374 -57.2774 99.1355 -38.5061 GPRESSURE: 410800 -334.241 1.23076 -108.296 51.0236 2.49381 163.082 -62.6769 49.1698 -32.9249 PRESSAVG: 410800 -4.50639 55.9211 8.90459 55.921 48.5245 -6.51568 8.90463 -6.51567 -0.0759748 GPRESSAVG: 410800 -5.74996 57.1335 7.47679 55.7357 48.2762 -5.43243 9.06635 -9.21024 1.75368 TIMING: 410800 CPU: 1186.44, 0.00289573/step Wall: 1186.44, 0.00289573/step, 3.69141 hours remaining, 205.273438 MB of memory in use. ENERGY: 410800 764.2779 2121.8686 1954.2801 120.5565 -206136.4875 17828.2647 0.0000 0.0000 34131.9489 -149215.2907 298.0828 -183347.2396 -149128.4792 298.8281 -153.0119 -121.5572 558591.6186 14.6474 14.7600 PRESSURE: 411000 98.0591 11.3021 -76.5902 11.3012 26.3408 -160.013 -76.5893 -160.013 -15.3198 GPRESSURE: 411000 190.604 -46.6042 -21.9008 38.302 31.3106 -90.4155 -49.3926 -105.651 -31.2175 PRESSAVG: 411000 -35.262 42.2478 13.8508 42.2477 -44.5493 4.4133 13.8508 4.41328 53.5549 GPRESSAVG: 411000 -34.2053 40.4845 14.5132 41.6509 -43.9139 4.34787 12.38 4.24844 51.6196 TIMING: 411000 CPU: 1187.02, 0.00290651/step Wall: 1187.02, 0.00290651/step, 3.70499 hours remaining, 205.273438 MB of memory in use. ENERGY: 411000 750.3267 2138.1173 1939.9857 110.6863 -206426.4340 17867.9190 0.0000 0.0000 34274.6974 -149344.7015 299.3295 -183619.3990 -149244.5667 298.9101 36.3600 63.5659 557123.9129 -8.7521 -8.8332 PRESSURE: 411200 -367.772 -95.7185 -9.24356 -95.7174 -307.544 -41.4738 -9.24269 -41.4752 -248.315 GPRESSURE: 411200 -322.289 -92.6006 -61.447 -44.5541 -291.286 -21.7626 -63.3714 -87.2523 -213.237 PRESSAVG: 411200 -31.2004 62.0749 24.2238 62.0749 -3.04647 -58.8609 24.2238 -58.861 21.8296 GPRESSAVG: 411200 -32.1272 63.7438 24.9233 62.418 -2.63391 -57.5844 23.876 -59.5532 23.3464 TIMING: 411200 CPU: 1187.6, 0.00289305/step Wall: 1187.6, 0.00289305/step, 3.68768 hours remaining, 205.273438 MB of memory in use. ENERGY: 411200 796.6129 2103.8270 1979.9810 111.2318 -205996.9406 17467.0154 0.0000 0.0000 34157.1217 -149381.1507 298.3026 -183538.2724 -149290.0211 299.2047 -307.8770 -275.6039 558778.2858 -4.1391 -3.8049 PRESSURE: 411400 -103.086 1.77994 -43.9719 1.77912 -90.4515 -206.82 -43.9728 -206.82 66.1206 GPRESSURE: 411400 -58.2742 -16.9148 -12.8118 9.35571 -25.3469 -184.759 -45.3435 -177.426 69.0624 PRESSAVG: 411400 13.3941 26.2447 -11.6725 26.2447 -14.959 -0.151091 -11.6726 -0.151177 35.3631 GPRESSAVG: 411400 14.3312 26.523 -12.19 26.1899 -14.5522 -0.848918 -10.6654 -1.76172 34.2312 TIMING: 411400 CPU: 1188.18, 0.00290167/step Wall: 1188.18, 0.00290167/step, 3.6985 hours remaining, 205.273438 MB of memory in use. ENERGY: 411400 753.7580 2132.3893 1961.8430 116.0593 -206270.9686 17884.0248 0.0000 0.0000 34263.5201 -149159.3741 299.2318 -183422.8941 -149060.0883 298.7458 -42.4722 -4.8529 557559.1028 11.2661 11.3367 PRESSURE: 411600 -44.1036 65.1277 61.9547 65.1276 87.3713 -10.1061 61.955 -10.1073 -242.967 GPRESSURE: 411600 -18.5865 79.3741 117.166 52.0372 137.684 71.2159 50.8597 -1.03075 -215.929 PRESSAVG: 411600 -6.17013 75.9864 -19.3526 75.9865 -4.67874 -46.5611 -19.3526 -46.5611 -11.2363 GPRESSAVG: 411600 -6.28694 76.7003 -18.5976 73.2733 -4.4971 -47.0369 -19.2454 -43.3213 -10.9166 TIMING: 411600 CPU: 1188.77, 0.0029273/step Wall: 1188.77, 0.0029273/step, 3.73101 hours remaining, 205.273438 MB of memory in use. ENERGY: 411600 743.4889 2153.7755 1955.6579 117.2132 -205784.4763 17543.7332 0.0000 0.0000 34338.8065 -148931.8012 299.8893 -183270.6077 -148837.2198 299.8582 -66.5663 -32.2772 558737.9653 -7.3617 -7.2336 PRESSURE: 411800 193.873 -53.3292 55.1222 -53.3298 205.362 -97.6606 55.1225 -97.66 164.311 GPRESSURE: 411800 195.219 -8.99054 14.2191 -70.0983 250.741 -110.696 47.5636 -119.077 215.167 PRESSAVG: 411800 -0.150447 44.1412 41.2543 44.1411 10.3818 -30.417 41.2543 -30.4169 -8.37138 GPRESSAVG: 411800 0.371085 43.1843 41.3041 46.4835 9.24312 -30.2864 42.1566 -29.7761 -8.15807 TIMING: 411800 CPU: 1189.35, 0.0029062/step Wall: 1189.35, 0.0029062/step, 3.70395 hours remaining, 205.292969 MB of memory in use. ENERGY: 411800 726.3920 2113.6628 1963.3059 117.7658 -205964.4312 17784.8192 0.0000 0.0000 34280.3420 -148978.1436 299.3788 -183258.4856 -148881.1760 299.5767 187.8487 220.3754 557876.9726 0.6200 0.4854 PRESSURE: 412000 194.449 128.56 -13.1888 128.56 -6.77051 -114.275 -13.1886 -114.276 290.396 GPRESSURE: 412000 226.102 201.66 29.9959 85.4256 -9.75717 -178.595 43.8299 -89.2647 339.604 PRESSAVG: 412000 29.8171 -10.9779 65.2604 -10.9779 14.6261 -7.94693 65.2605 -7.94699 31.674 GPRESSAVG: 412000 28.6621 -13.0329 65.8878 -10.945 15.0273 -9.15405 65.9898 -8.84041 32.5097 TIMING: 412000 CPU: 1189.93, 0.00290045/step Wall: 1189.93, 0.00290045/step, 3.69646 hours remaining, 205.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 412000 724.2512 2038.8750 1945.5630 113.2105 -206378.3118 17920.3086 0.0000 0.0000 34627.2248 -149008.8787 302.4082 -183636.1035 -148912.4852 299.5478 159.3581 185.3162 557551.3995 25.3724 25.3997 PRESSURE: 412200 -157.209 -0.769339 47.1742 -0.768666 203.901 -35.918 47.174 -35.9156 110.126 GPRESSURE: 412200 -129.043 -48.5773 41.2147 61.1665 245.362 -50.5614 14.6838 -64.408 136.858 PRESSAVG: 412200 -46.6152 40.9359 49.0921 40.9359 22.3423 -18.9382 49.092 -18.9383 0.623551 GPRESSAVG: 412200 -46.1251 43.0206 49.5288 40.3909 22.2041 -18.2664 48.6261 -20.4054 0.600989 TIMING: 412200 CPU: 1190.51, 0.00289106/step Wall: 1190.51, 0.00289106/step, 3.68433 hours remaining, 205.496094 MB of memory in use. ENERGY: 412200 803.6289 2118.4449 1935.3009 103.9902 -205768.2580 17823.7152 0.0000 0.0000 33970.7305 -149012.4472 296.6748 -182983.1778 -148917.1090 299.3795 52.2725 84.3923 557915.4653 -7.8831 -7.7733 LDB: ============= START OF LOAD BALANCING ============== 1193.89 LDB: ============== END OF LOAD BALANCING =============== 1193.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1193.9 LDB: ============= START OF LOAD BALANCING ============== 1194.19 LDB: Largest compute 4820 load 0.028189 is 23.9% of average load 0.117928 LDB: Average compute 0.001723 is 1.5% of average load 0.117928 LDB: TIME 1194.19 LOAD: AVG 0.117928 MAX 0.179931 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.438 MB LDB: TIME 1194.19 LOAD: AVG 0.117928 MAX 0.179931 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.438 MB LDB: TIME 1194.19 LOAD: AVG 0.117928 MAX 0.179931 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1194.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1194.2 PRESSURE: 412400 -66.9673 161.974 5.27077 161.973 -173.617 -102.664 5.27107 -102.665 -371.608 GPRESSURE: 412400 -139.913 100.886 36.0861 203.467 -83.0997 -34.3642 -109.673 -171.471 -294.698 PRESSAVG: 412400 -24.9749 95.5102 39.7098 95.5101 40.1441 -17.256 39.7099 -17.256 -9.76399 GPRESSAVG: 412400 -25.8162 93.1925 37.2466 98.386 42.3789 -16.7675 40.6138 -17.3255 -11.2018 TIMING: 412400 CPU: 1191.1, 0.00296415/step Wall: 1191.1, 0.00296415/step, 3.77732 hours remaining, 207.023438 MB of memory in use. ENERGY: 412400 733.8432 2125.8961 1953.0784 110.5134 -205881.2795 17625.2792 0.0000 0.0000 34289.3696 -149043.2996 299.4576 -183332.6692 -148943.7206 299.5785 -204.0641 -172.5704 558850.8104 1.8017 1.7870 PRESSURE: 412600 144.433 135.061 -3.87225 135.062 325.067 25.7682 -3.87243 25.7679 -55.3015 GPRESSURE: 412600 167.068 213.883 51.1036 69.2876 349.879 18.4984 -41.6315 22.9918 -0.57628 PRESSAVG: 412600 48.5846 43.5881 -2.48967 43.588 -6.49899 5.4594 -2.48981 5.45932 -4.21656 GPRESSAVG: 412600 48.6807 44.7491 -0.435554 43.3576 -7.31464 6.37084 -1.69233 7.7132 -3.24071 TIMING: 412600 CPU: 1191.68, 0.00288826/step Wall: 1191.68, 0.00288826/step, 3.68044 hours remaining, 207.023438 MB of memory in use. ENERGY: 412600 747.1370 2087.1512 1961.7037 122.7566 -206477.3006 18105.5110 0.0000 0.0000 34353.3684 -149099.6728 300.0165 -183453.0412 -149006.0905 299.8774 138.0659 172.1235 557277.5501 12.6230 12.7085 PRESSURE: 412800 131.754 -27.0435 30.5521 -27.0414 -230.669 60.5533 30.5523 60.5539 -40.7033 GPRESSURE: 412800 161.191 5.24797 88.9005 -60.8583 -191.487 23.9819 45.2093 74.424 -17.1057 PRESSAVG: 412800 23.3958 27.9114 10.3586 27.9115 6.91558 -0.357467 10.3586 -0.357548 -23.9252 GPRESSAVG: 412800 23.2574 27.1235 10.7682 26.6941 6.83237 -1.35161 8.98153 -0.264493 -23.7555 TIMING: 412800 CPU: 1192.25, 0.0028771/step Wall: 1192.25, 0.0028771/step, 3.66606 hours remaining, 207.308594 MB of memory in use. ENERGY: 412800 755.0623 2149.4335 1940.9010 123.2660 -206125.3253 17727.7583 0.0000 0.0000 34195.4717 -149233.4325 298.6376 -183428.9042 -149144.2244 299.9458 -46.5396 -15.8007 557462.6391 2.1287 2.1114 PRESSURE: 413000 147.534 101.298 -72.6458 101.297 -201.006 92.1867 -72.6474 92.1857 -156.41 GPRESSURE: 413000 166.202 126.951 -67.7764 108.696 -154.313 25.8223 -30.8083 84.9344 -127.29 PRESSAVG: 413000 29.8327 32.1665 16.8742 32.1665 -13.2365 -20.9672 16.8742 -20.9673 -91.4835 GPRESSAVG: 413000 31.1732 31.6307 16.3452 32.3393 -12.5835 -21.7272 18.2654 -22.1547 -93.8733 TIMING: 413000 CPU: 1192.83, 0.00289271/step Wall: 1192.83, 0.00289271/step, 3.68579 hours remaining, 207.308594 MB of memory in use. ENERGY: 413000 733.1514 2062.7016 1937.4897 103.8381 -206000.0882 17618.3090 0.0000 0.0000 34268.1675 -149276.4308 299.2724 -183544.5983 -149181.8241 299.3663 -69.9607 -38.4672 557736.2620 -24.9624 -25.0946 PRESSURE: 413200 -301.68 8.68315 -2.63684 8.68309 -116.891 96.3573 -2.63702 96.3569 -212.623 GPRESSURE: 413200 -275.328 -18.2504 91.3375 32.7384 -88.7591 81.0854 -143.069 49.0581 -163.286 PRESSAVG: 413200 -4.16826 63.4209 50.4998 63.4209 65.1406 -6.47409 50.4997 -6.47405 -55.0524 GPRESSAVG: 413200 -4.39471 64.714 52.0638 62.5106 64.5226 -5.85298 47.2527 -6.74233 -53.4313 TIMING: 413200 CPU: 1193.41, 0.0029129/step Wall: 1193.41, 0.0029129/step, 3.71136 hours remaining, 207.308594 MB of memory in use. ENERGY: 413200 769.0207 2086.6344 1959.3861 116.5799 -206031.5160 17680.7941 0.0000 0.0000 34139.2326 -149279.8682 298.1464 -183419.1008 -149186.1503 299.8632 -210.3980 -175.7911 558313.4631 1.9733 2.2322 PRESSURE: 413400 127.834 -87.9636 -96.6799 -87.963 66.4492 -206.933 -96.6807 -206.932 -180.319 GPRESSURE: 413400 179.435 -52.6486 -122.559 -123.07 125.591 -158.989 -114.809 -108.474 -185.02 PRESSAVG: 413400 4.67697 20.6851 -1.65723 20.6852 31.8578 -21.6907 -1.65726 -21.6907 -33.0045 GPRESSAVG: 413400 4.38819 19.214 -2.13556 21.2058 31.485 -20.1166 -1.81598 -23.692 -31.9514 TIMING: 413400 CPU: 1194, 0.00291356/step Wall: 1194, 0.00291356/step, 3.71204 hours remaining, 207.308594 MB of memory in use. ENERGY: 413400 758.3223 2066.8124 1927.8672 123.1410 -206584.5387 17973.5840 0.0000 0.0000 34361.8621 -149372.9496 300.0907 -183734.8118 -149277.5196 299.6689 4.6547 40.0023 555838.1863 1.1767 1.3073 PRESSURE: 413600 -86.1839 137.473 65.1914 137.473 -20.3471 -60.8527 65.1928 -60.8531 38.0813 GPRESSURE: 413600 -68.591 90.0606 17.7097 96.8008 49.9005 -58.6767 126.035 -75.0379 65.851 PRESSAVG: 413600 -13.4364 -11.1137 -20.2841 -11.1137 -28.4899 -2.64322 -20.2842 -2.64325 11.618 GPRESSAVG: 413600 -13.1158 -11.1444 -19.7816 -12.6296 -27.2671 -3.211 -19.4641 -0.797314 10.7754 TIMING: 413600 CPU: 1194.58, 0.00290611/step Wall: 1194.58, 0.00290611/step, 3.70239 hours remaining, 207.308594 MB of memory in use. ENERGY: 413600 757.5247 2039.7859 1954.7242 120.9541 -205936.2376 17624.9597 0.0000 0.0000 34274.8236 -149163.4653 299.3306 -183438.2890 -149070.3220 298.6441 -22.8165 15.7201 556301.1131 -10.1028 -9.8692 PRESSURE: 413800 33.1422 73.465 40.7394 73.4627 -17.6653 28.8373 40.7387 28.8373 312.753 GPRESSURE: 413800 127.574 78.946 50.2475 7.68849 13.7016 93.3696 -7.87644 70.9397 290.483 PRESSAVG: 413800 -29.8117 -14.1118 -10.4482 -14.1119 -37.98 -33.4123 -10.4482 -33.4123 102.911 GPRESSAVG: 413800 -29.1698 -14.0257 -10.9415 -12.9642 -37.9454 -33.7484 -10.3003 -34.9952 102.428 TIMING: 413800 CPU: 1195.16, 0.00289912/step Wall: 1195.16, 0.00289912/step, 3.69332 hours remaining, 207.308594 MB of memory in use. ENERGY: 413800 746.9947 2056.8796 1937.2766 112.5104 -206119.2502 17792.0984 0.0000 0.0000 34351.6302 -149121.8603 300.0013 -183473.4905 -149019.6904 299.9461 109.4099 143.9196 557206.8952 11.7064 11.7711 PRESSURE: 414000 90.7146 -8.75329 -30.533 -8.75186 -113.274 134.537 -30.5329 134.534 -148.58 GPRESSURE: 414000 164.016 -41.9526 14.8618 35.5352 -90.8508 145.138 -90.0217 106.168 -145.996 PRESSAVG: 414000 -28.0315 -7.28267 34.3106 -7.28278 25.7549 3.20385 34.3106 3.20381 14.46 GPRESSAVG: 414000 -27.7292 -7.12442 33.5719 -8.3998 24.9481 2.88278 33.6834 2.62749 14.637 TIMING: 414000 CPU: 1195.74, 0.00290371/step Wall: 1195.74, 0.00290371/step, 3.69901 hours remaining, 207.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 414000 731.5865 2117.8815 1970.6735 114.7247 -206306.5909 17784.7233 0.0000 0.0000 34243.6042 -149343.3973 299.0579 -183587.0015 -149250.3890 299.5964 -57.0467 -24.2773 557311.3426 4.0612 3.9520 PRESSURE: 414200 353.654 -61.7125 104.518 -61.7126 35.594 70.6568 104.519 70.6572 -112.737 GPRESSURE: 414200 361.288 -40.8573 102.189 -125.973 54.2683 56.1307 25.0336 58.8004 -35.7989 PRESSAVG: 414200 -0.84324 -8.23768 23.8179 -8.23767 -15.0844 -4.25081 23.8179 -4.25076 1.79609 GPRESSAVG: 414200 -1.99234 -9.61384 22.2943 -6.42504 -13.1543 -4.8475 24.7917 -1.8996 1.15562 TIMING: 414200 CPU: 1196.32, 0.00291317/step Wall: 1196.32, 0.00291317/step, 3.7109 hours remaining, 207.308594 MB of memory in use. ENERGY: 414200 699.3187 2106.2452 1945.9692 122.7018 -206289.3521 17881.7042 0.0000 0.0000 34232.5815 -149300.8316 298.9616 -183533.4130 -149209.2146 299.2426 92.1703 126.5856 556299.4792 -4.7105 -4.6637 PRESSURE: 414400 36.5262 98.2209 -205.612 98.2207 81.9358 3.11979 -205.612 3.11816 297.311 GPRESSURE: 414400 41.7074 103.54 -193.954 147.933 172.279 -12.5814 -248.777 25.0328 301.642 PRESSAVG: 414400 24.8085 30.6365 56.3427 30.6365 17.7462 7.16555 56.3428 7.16553 -13.4836 GPRESSAVG: 414400 25.5952 34.1376 56.9484 29.3429 15.2834 8.07026 57.4318 6.30666 -12.0227 TIMING: 414400 CPU: 1196.9, 0.00290973/step Wall: 1196.9, 0.00290973/step, 3.70635 hours remaining, 207.308594 MB of memory in use. ENERGY: 414400 761.5364 2085.4472 1933.6776 110.7133 -206257.2248 17873.5622 0.0000 0.0000 34282.9296 -149209.3585 299.4014 -183492.2881 -149122.5121 299.1398 138.5909 171.8762 556524.2467 9.6904 9.6186 PRESSURE: 414600 249.521 -11.0922 -107.685 -11.0917 79.2077 210.56 -107.686 210.562 271.802 GPRESSURE: 414600 259.201 5.73143 -41.2601 -36.7523 147.824 118.509 -44.8937 192.504 297.112 PRESSAVG: 414600 -6.85736 5.05592 60.1169 5.05591 -54.2238 -18.3969 60.1168 -18.397 34.7938 GPRESSAVG: 414600 -7.48148 4.68417 60.7409 5.92057 -53.0734 -19.3079 58.2678 -17.7449 34.4926 TIMING: 414600 CPU: 1197.49, 0.00290836/step Wall: 1197.49, 0.00290836/step, 3.70444 hours remaining, 207.308594 MB of memory in use. ENERGY: 414600 726.7618 2105.5414 1939.4976 118.5775 -206718.2134 18125.7887 0.0000 0.0000 34397.7398 -149304.3067 300.4040 -183702.0465 -149210.0031 300.0942 200.1770 234.7124 555982.0352 -8.7624 -8.6874 PRESSURE: 414800 -272.088 -61.2731 53.5675 -61.2737 104.302 117.604 53.5666 117.604 -82.4551 GPRESSURE: 414800 -224.507 -33.6793 73.2031 -47.9395 104.428 143.209 138.787 92.1778 -28.894 PRESSAVG: 414800 36.0555 -18.6009 13.542 -18.6009 17.9713 -11.7929 13.542 -11.7928 -34.4117 GPRESSAVG: 414800 36.4057 -18.7233 13.2175 -19.6807 18.0739 -9.50642 15.6715 -13.4808 -34.5356 TIMING: 414800 CPU: 1198.06, 0.00289353/step Wall: 1198.06, 0.00289353/step, 3.6854 hours remaining, 207.308594 MB of memory in use. ENERGY: 414800 751.0064 2094.6844 1962.0910 115.8216 -206209.5631 17733.0736 0.0000 0.0000 34117.4848 -149435.4014 297.9565 -183552.8861 -149337.6988 299.3966 -83.4138 -49.6576 557794.3520 6.5384 6.6480 PRESSURE: 415000 -55.4621 33.745 91.1586 33.7449 94.9262 -77.0987 91.1596 -77.0985 115.5 GPRESSURE: 415000 -35.0619 107.463 169.566 54.011 125.096 -34.723 176.43 -22.2396 164.377 PRESSAVG: 415000 -31.1772 9.19374 45.0422 9.19379 119.696 7.11477 45.0422 7.1148 -64.0139 GPRESSAVG: 415000 -30.0079 9.79864 46.3829 9.53969 118.413 4.55131 42.8197 8.99474 -63.7831 TIMING: 415000 CPU: 1198.65, 0.00290775/step Wall: 1198.65, 0.00290775/step, 3.70334 hours remaining, 207.308594 MB of memory in use. ENERGY: 415000 712.7345 2096.5044 1952.5316 116.6218 -206502.9368 17844.1080 0.0000 0.0000 34126.0637 -149654.3728 298.0314 -183780.4365 -149563.2353 298.5241 51.6546 84.8035 556769.0336 8.1682 8.2074 PRESSURE: 415200 -176.034 -248.859 -91.2144 -248.861 -38.5542 -109.791 -91.2151 -109.79 -287.247 GPRESSURE: 415200 -148.173 -229.758 -83.3011 -252.874 -11.9228 -115.147 -83.3692 -110.23 -255.001 PRESSAVG: 415200 10.4772 3.77516 72.1886 3.77515 -13.9875 -65.9665 72.1886 -65.9665 12.8429 GPRESSAVG: 415200 8.89685 2.35501 70.6935 4.30108 -13.3346 -64.331 73.6993 -67.4698 13.4944 TIMING: 415200 CPU: 1199.23, 0.00293733/step Wall: 1199.23, 0.00293733/step, 3.74085 hours remaining, 207.414062 MB of memory in use. ENERGY: 415200 727.4767 2121.1265 1949.0409 118.9480 -206356.7816 17597.9663 0.0000 0.0000 34199.1478 -149643.0753 298.6697 -183842.2231 -149544.1139 297.6891 -167.2784 -138.3657 557108.3578 3.1109 3.0189 PRESSURE: 415400 -158.214 199.189 -2.09003 199.187 -198.747 -110.071 -2.0889 -110.07 -190.925 GPRESSURE: 415400 -135.879 135.52 91.124 206.76 -139.14 -154.078 31.4542 -39.8325 -156.528 PRESSAVG: 415400 -62.5712 -32.7342 19.7229 -32.7342 -21.5048 -4.32723 19.723 -4.32715 65.4165 GPRESSAVG: 415400 -62.4198 -32.9535 21.4704 -32.3789 -21.4949 -2.51093 19.0262 -3.86865 65.0783 TIMING: 415400 CPU: 1199.82, 0.00293124/step Wall: 1199.82, 0.00293124/step, 3.73294 hours remaining, 207.414062 MB of memory in use. ENERGY: 415400 792.5826 2080.2374 1934.0508 115.1849 -206589.1717 17913.6783 0.0000 0.0000 34298.6075 -149454.8302 299.5383 -183753.4377 -149356.3175 298.4686 -182.6289 -143.8492 557719.6623 -6.2198 -6.2788 PRESSURE: 415600 97.438 29.2768 -0.256015 29.2778 433.025 99.7679 -0.257042 99.7691 0.706197 GPRESSURE: 415600 140.263 -68.1676 -50.2186 19.7503 451.117 30.0027 -14.5333 164.182 38.2977 PRESSAVG: 415600 -57.4549 4.70389 12.5452 4.70389 -2.09609 -2.51659 12.5453 -2.51671 45.1795 GPRESSAVG: 415600 -57.8612 5.02794 11.8598 3.00415 -1.41642 -5.85248 14.0558 -0.285259 44.6219 TIMING: 415600 CPU: 1200.4, 0.0029099/step Wall: 1200.4, 0.0029099/step, 3.70559 hours remaining, 207.414062 MB of memory in use. ENERGY: 415600 700.1308 2097.9467 1960.4214 113.4126 -206490.9615 17971.4216 0.0000 0.0000 34317.1843 -149330.4440 299.7005 -183647.6284 -149228.3332 299.2118 177.0563 209.8927 557062.4706 -4.7905 -4.8852 PRESSURE: 415800 -49.8067 -80.1764 6.39925 -80.177 -84.0661 -25.0551 6.39968 -25.0549 -38.2265 GPRESSURE: 415800 53.8959 -109.939 103.654 -114.488 -62.5756 41.3496 -53.3898 -105.038 -62.6221 PRESSAVG: 415800 7.28858 -38.0738 72.1874 -38.0737 52.4116 -15.5974 72.1875 -15.5974 -52.2407 GPRESSAVG: 415800 8.85193 -36.9354 73.5181 -36.8018 51.3627 -15.6337 68.4995 -17.3487 -52.0697 TIMING: 415800 CPU: 1200.98, 0.00291439/step Wall: 1200.98, 0.00291439/step, 3.71115 hours remaining, 207.414062 MB of memory in use. ENERGY: 415800 749.6948 2150.9233 1920.0198 105.2752 -206061.3962 17670.0171 0.0000 0.0000 34380.6947 -149084.7712 300.2552 -183465.4659 -148989.8028 299.8176 -57.3664 -23.7673 558830.4029 2.4865 2.7150 PRESSURE: 416000 -41.4546 65.192 -69.4245 65.1924 -415.238 -81.5665 -69.4241 -81.566 70.5698 GPRESSURE: 416000 2.77549 77.0767 -80.8774 76.6483 -358.763 -56.672 -46.5916 -142.829 63.7911 PRESSAVG: 416000 54.9833 2.38629 1.17432 2.38632 -74.0779 -82.7883 1.17446 -82.7883 10.1373 GPRESSAVG: 416000 53.2629 1.01693 -0.866411 2.44058 -73.0688 -85.5224 3.81033 -80.4642 10.4718 TIMING: 416000 CPU: 1201.57, 0.00291876/step Wall: 1201.57, 0.00291876/step, 3.71655 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 416000 776.6294 2104.4666 1954.2812 116.6359 -206123.6129 17625.6209 0.0000 0.0000 34384.9847 -149160.9942 300.2926 -183545.9789 -149067.1006 299.4254 -128.7075 -97.3990 558126.6793 -2.9858 -3.1114 PRESSURE: 416200 -103.243 -113.042 48.0813 -113.042 -121.916 176.871 48.0808 176.871 -80.8831 GPRESSURE: 416200 -76.5278 -91.8189 60.2225 -74.4789 -70.9982 171.094 117.645 189.845 -56.4541 PRESSAVG: 416200 -7.76982 -8.23004 38.1884 -8.23001 33.0748 -51.4673 38.1884 -51.4673 6.45613 GPRESSAVG: 416200 -6.52489 -7.4481 39.0312 -8.74687 32.7421 -50.5763 38.7214 -51.9443 5.60956 TIMING: 416200 CPU: 1202.15, 0.00289164/step Wall: 1202.15, 0.00289164/step, 3.68186 hours remaining, 207.414062 MB of memory in use. ENERGY: 416200 771.1993 2112.8624 1980.5387 117.0556 -206033.1129 17627.9223 0.0000 0.0000 34262.2761 -149161.2584 299.2210 -183423.5345 -149067.6017 299.6640 -102.0140 -67.9934 558313.2924 10.5870 10.6089 LDB: ============= START OF LOAD BALANCING ============== 1205.53 LDB: ============== END OF LOAD BALANCING =============== 1205.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1205.53 LDB: ============= START OF LOAD BALANCING ============== 1205.83 LDB: Largest compute 4820 load 0.027070 is 23.0% of average load 0.117828 LDB: Average compute 0.001718 is 1.5% of average load 0.117828 LDB: TIME 1205.83 LOAD: AVG 0.117828 MAX 0.182146 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.785 MB LDB: TIME 1205.83 LOAD: AVG 0.117828 MAX 0.182146 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.848 MB LDB: TIME 1205.83 LOAD: AVG 0.117828 MAX 0.182146 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.848 MB LDB: ============== END OF LOAD BALANCING =============== 1205.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1205.83 PRESSURE: 416400 -358.318 -11.0415 -59.4542 -11.041 73.1969 -61.5825 -59.4547 -61.5801 38.8869 GPRESSURE: 416400 -331.392 -16.184 -74.3349 -54.4905 139.082 -32.7657 -91.6039 -144.306 58.8209 PRESSAVG: 416400 -43.9753 -31.6539 14.5085 -31.6539 46.5866 2.43008 14.5084 2.43006 -19.1142 GPRESSAVG: 416400 -44.4887 -32.5002 14.6975 -32.0084 45.6901 2.04962 13.6465 1.52371 -17.949 TIMING: 416400 CPU: 1202.74, 0.00295966/step Wall: 1202.74, 0.00295966/step, 3.76831 hours remaining, 205.500000 MB of memory in use. ENERGY: 416400 717.1160 2068.5119 1952.9886 111.8999 -206067.0279 17712.6855 0.0000 0.0000 34445.5378 -149058.2882 300.8214 -183503.8260 -148964.7964 300.3439 -82.0781 -44.4966 558292.3759 -5.5010 -5.5825 PRESSURE: 416600 175.934 -5.89485 -46.1945 -5.89419 268.121 -127.756 -46.1933 -127.756 -127.653 GPRESSURE: 416600 112.643 -20.0298 -89.2954 31.3656 316.818 -155.335 -7.58736 -128.61 -13.4084 PRESSAVG: 416600 9.80134 -51.59 23.912 -51.59 0.0584913 17.0784 23.912 17.0784 6.64849 GPRESSAVG: 416600 10.3511 -52.2174 23.1199 -52.647 -0.0843194 19.5816 23.756 17.8533 6.23169 TIMING: 416600 CPU: 1203.32, 0.00290226/step Wall: 1203.32, 0.00290226/step, 3.69506 hours remaining, 205.703125 MB of memory in use. ENERGY: 416600 730.7896 2113.3470 1948.2454 112.8754 -206321.4399 17977.1220 0.0000 0.0000 34348.1116 -149090.9489 299.9706 -183439.0605 -148991.8415 299.9508 105.4674 138.6842 557307.4698 5.5028 5.4995 PRESSURE: 416800 -178.613 14.7059 -138.8 14.7053 22.0134 -67.2944 -138.8 -67.2928 18.5611 GPRESSURE: 416800 -142.198 9.26607 -235.937 -8.49321 7.97824 35.1164 -62.2518 -138.612 88.0083 PRESSAVG: 416800 26.3493 6.06593 3.07832 6.06592 -18.0468 22.7323 3.07826 22.7325 -14.3548 GPRESSAVG: 416800 26.1454 6.80215 2.59223 7.53347 -17.8803 20.2831 3.21123 21.2612 -14.0366 TIMING: 416800 CPU: 1203.9, 0.00289562/step Wall: 1203.9, 0.00289562/step, 3.68645 hours remaining, 205.703125 MB of memory in use. ENERGY: 416800 720.2240 2123.4816 1970.0128 109.6960 -206145.3923 17849.4604 0.0000 0.0000 34305.3689 -149067.1485 299.5973 -183372.5174 -148972.4805 299.7668 -46.0128 -15.4037 557996.9171 -2.0174 -1.9238 PRESSURE: 417000 -139.009 31.6442 -185.56 31.6439 7.86193 -3.24276 -185.559 -3.24359 -169.906 GPRESSURE: 417000 -65.5832 97.3951 -79.1289 -52.2666 -35.9062 -35.393 -165.827 -68.4634 -108.659 PRESSAVG: 417000 -54.733 -7.26116 -15.4182 -7.2611 57.026 16.3385 -15.4182 16.3385 1.5379 GPRESSAVG: 417000 -53.4594 -6.77635 -13.7346 -7.66089 57.28 16.9014 -17.7971 15.5532 0.117873 TIMING: 417000 CPU: 1204.48, 0.00289393/step Wall: 1204.48, 0.00289393/step, 3.68413 hours remaining, 205.703125 MB of memory in use. ENERGY: 417000 756.3829 2127.2376 1933.4986 114.0400 -205993.2092 17735.3449 0.0000 0.0000 34210.5070 -149116.1983 298.7689 -183326.7052 -149016.2945 299.6568 -100.3513 -70.0493 557582.8976 1.2770 1.3128 PRESSURE: 417200 204.53 -92.7354 8.51875 -92.7355 32.0775 -71.5139 8.5178 -71.5134 -214.737 GPRESSURE: 417200 226.182 -68.0965 34.1699 -122.13 5.06371 -61.5187 2.59694 -120.187 -110.12 PRESSAVG: 417200 -0.451557 -16.403 -49.7563 -16.403 49.0963 17.2862 -49.7563 17.2861 -77.9299 GPRESSAVG: 417200 -1.20762 -18.784 -51.6862 -16.3841 49.1971 17.5502 -47.3104 18.7841 -77.3199 TIMING: 417200 CPU: 1205.05, 0.00287876/step Wall: 1205.05, 0.00287876/step, 3.66466 hours remaining, 205.703125 MB of memory in use. ENERGY: 417200 739.9328 2118.8991 1928.4612 109.1510 -206228.6026 17836.1517 0.0000 0.0000 34309.9630 -149186.0437 299.6374 -183496.0067 -149090.0541 299.9126 7.2902 40.3752 557384.3322 -9.7617 -9.7768 PRESSURE: 417400 -87.9183 -75.7858 30.5855 -75.7855 46.936 158.799 30.5862 158.798 -165.024 GPRESSURE: 417400 -38.2435 9.17452 101.412 -73.7347 68.076 100.656 -19.7663 157.128 -132.243 PRESSAVG: 417400 -43.3836 -24.6159 -12.7806 -24.6158 57.6658 21.8151 -12.7806 21.815 -13.047 GPRESSAVG: 417400 -43.51 -23.8011 -12.304 -24.6313 56.8228 23.2274 -12.045 19.8799 -12.3892 TIMING: 417400 CPU: 1205.63, 0.00290124/step Wall: 1205.63, 0.00290124/step, 3.69311 hours remaining, 205.703125 MB of memory in use. ENERGY: 417400 779.4027 2081.1928 1930.4449 114.2288 -206046.0417 17728.6585 0.0000 0.0000 34313.5768 -149098.5374 299.6690 -183412.1142 -148998.7640 299.6685 -68.6687 -34.1368 556327.8815 0.4117 0.3078 PRESSURE: 417600 129.757 164.798 164.485 164.8 253.409 31.4963 164.485 31.4966 -85.8047 GPRESSURE: 417600 147.369 80.2069 221.958 209.05 278.662 44.2119 103.57 68.979 -33.8532 PRESSAVG: 417600 30.7917 0.0942705 86.1416 0.0942653 51.077 -8.31933 86.1416 -8.31939 -119.625 GPRESSAVG: 417600 30.2411 -0.0917912 86.9859 1.88353 52.8663 -9.39584 85.1478 -4.98801 -120.587 TIMING: 417600 CPU: 1206.21, 0.00290672/step Wall: 1206.21, 0.00290672/step, 3.69993 hours remaining, 205.703125 MB of memory in use. ENERGY: 417600 738.4629 2061.6024 1935.0916 102.5367 -206260.0465 17906.6658 0.0000 0.0000 34192.2049 -149323.4823 298.6090 -183515.6872 -149230.7285 299.3551 99.1207 130.7260 555079.6502 -12.5854 -12.4933 PRESSURE: 417800 -285.63 186.795 198.33 186.795 -220.853 143.715 198.331 143.715 -234.204 GPRESSURE: 417800 -208.1 221.944 207.877 123.514 -174.383 214.509 209.483 190.517 -259.461 PRESSAVG: 417800 31.6735 46.9748 64.3085 46.9748 13.9165 12.3326 64.3084 12.3327 8.68122 GPRESSAVG: 417800 31.9285 49.008 62.9451 45.3912 13.2723 11.1583 64.1346 11.3465 9.48478 TIMING: 417800 CPU: 1206.8, 0.0029197/step Wall: 1206.8, 0.0029197/step, 3.71629 hours remaining, 205.703125 MB of memory in use. ENERGY: 417800 787.1859 2069.4569 1951.9726 110.1490 -205975.8140 17609.1472 0.0000 0.0000 33967.9864 -149479.9159 296.6509 -183447.9024 -149388.5186 298.7625 -246.8957 -213.9810 557402.4544 18.0904 18.2285 PRESSURE: 418000 -17.338 6.62825 40.7418 6.62845 33.1462 123.777 40.7428 123.777 118.706 GPRESSURE: 418000 39.5534 115.962 104.748 -43.3675 43.2384 39.1252 2.45644 155.968 144.797 PRESSAVG: 418000 -1.02819 8.5708 10.6354 8.57084 49.6419 60.8765 10.6355 60.8766 -32.9244 GPRESSAVG: 418000 -0.905676 6.38107 11.1209 8.79154 50.0863 60.5027 11.5942 61.1667 -34.0363 TIMING: 418000 CPU: 1207.38, 0.00292328/step Wall: 1207.38, 0.00292328/step, 3.72069 hours remaining, 205.703125 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: 418000 732.3180 2149.7013 1953.7377 118.1188 -206605.0511 17834.6219 0.0000 0.0000 34471.4999 -149345.0535 301.0482 -183816.5533 -149246.3930 298.8261 44.8381 75.8628 555829.3491 5.2298 5.0481 PRESSURE: 418200 118.953 16.9952 152.799 16.9959 -97.9859 -54.0145 152.801 -54.0142 22.9999 GPRESSURE: 418200 170.77 -46.828 139.289 -15.9195 -29.4121 3.22192 146.561 -22.2881 0.753187 PRESSAVG: 418200 9.03597 38.6677 10.4285 38.6677 -9.53237 6.89023 10.4284 6.89024 30.8835 GPRESSAVG: 418200 8.66435 39.2143 10.8861 38.8106 -9.96972 9.49087 10.875 6.10513 31.2138 TIMING: 418200 CPU: 1207.96, 0.00289003/step Wall: 1207.96, 0.00289003/step, 3.67821 hours remaining, 205.703125 MB of memory in use. ENERGY: 418200 732.7088 2072.4422 1939.8583 118.3465 -206418.2384 17907.5016 0.0000 0.0000 34437.3811 -149209.9998 300.7502 -183647.3809 -149111.1580 299.6702 14.6558 47.3704 555478.4007 10.1290 9.9695 PRESSURE: 418400 -158.434 4.98196 -53.5492 4.98159 -119.998 -42.3426 -53.5482 -42.3427 -158.351 GPRESSURE: 418400 -109.051 -18.6841 62.2009 25.6674 -66.0931 10.6237 -39.9682 -25.3918 -168.367 PRESSAVG: 418400 31.7722 5.67307 85.0287 5.67304 0.903307 6.90878 85.0287 6.90877 -34.6046 GPRESSAVG: 418400 32.0653 5.02152 84.9517 5.51456 0.177608 6.62023 83.7094 6.89247 -34.3468 TIMING: 418400 CPU: 1208.54, 0.00289942/step Wall: 1208.54, 0.00289942/step, 3.68999 hours remaining, 205.703125 MB of memory in use. ENERGY: 418400 726.6758 2105.7138 1979.3832 105.6635 -205630.0637 17383.9482 0.0000 0.0000 34154.8169 -149173.8623 298.2825 -183328.6792 -149072.3243 299.7972 -145.5943 -114.5035 556636.7198 -0.6430 -0.7013 PRESSURE: 418600 -63.1387 154.201 8.42826 154.201 149.513 -147.892 8.42798 -147.894 290.662 GPRESSURE: 418600 25.6831 192.716 -67.405 102.563 131.664 -137.731 33.2164 -125.71 327.8 PRESSAVG: 418600 75.8081 64.1926 -4.18756 64.1926 11.8911 -37.517 -4.18743 -37.517 -3.57965 GPRESSAVG: 418600 76.0172 65.7285 -2.27267 64.0854 12.3224 -38.7039 -4.71268 -36.9297 -3.79924 TIMING: 418600 CPU: 1209.12, 0.00287395/step Wall: 1209.12, 0.00287395/step, 3.65742 hours remaining, 205.703125 MB of memory in use. ENERGY: 418600 749.7454 2129.4631 1959.0967 107.4845 -206303.0571 17930.3106 0.0000 0.0000 34393.2028 -149033.7540 300.3644 -183426.9568 -148941.1489 300.1883 125.6790 161.7156 555772.6208 28.0398 28.1801 PRESSURE: 418800 27.7412 36.466 33.5236 36.466 168.867 -60.8039 33.5235 -60.8042 75.6577 GPRESSURE: 418800 40.3219 18.6885 48.1356 -0.410435 148.536 3.05021 -12.437 -51.7423 176.909 PRESSAVG: 418800 -38.2019 -15.8562 3.7446 -15.8562 -17.5863 8.86215 3.74464 8.86199 50.3507 GPRESSAVG: 418800 -38.9582 -16.4917 4.04006 -15.2006 -17.4928 8.95427 2.85759 8.16152 51.1296 TIMING: 418800 CPU: 1209.7, 0.00289897/step Wall: 1209.7, 0.00289897/step, 3.6891 hours remaining, 205.703125 MB of memory in use. ENERGY: 418800 779.7290 2068.2077 1926.0363 113.2955 -206271.0146 17954.5417 0.0000 0.0000 34348.3671 -149080.8375 299.9728 -183429.2045 -148991.2258 299.5169 90.7552 121.9222 557567.9571 -1.8125 -1.7738 PRESSURE: 419000 -81.0761 -160.972 73.0676 -160.974 -230.119 34.6571 73.0687 34.6575 -227.609 GPRESSURE: 419000 -57.3602 -282.61 97.3044 -83.1866 -185.375 55.0306 136.407 95.4716 -188.797 PRESSAVG: 419000 21.5492 33.1487 -34.2675 33.1486 -4.94586 12.2935 -34.2674 12.2936 -10.615 GPRESSAVG: 419000 22.6842 34.4009 -37.7084 31.418 -3.80008 12.9305 -30.9516 12.2652 -12.0788 TIMING: 419000 CPU: 1210.28, 0.00291188/step Wall: 1210.28, 0.00291188/step, 3.70537 hours remaining, 205.703125 MB of memory in use. ENERGY: 419000 787.5245 2065.9900 1956.7536 115.6027 -206139.5957 17672.0452 0.0000 0.0000 34488.5989 -149053.0809 301.1975 -183541.6797 -148960.9402 299.9521 -179.6016 -143.8439 557325.9342 1.9961 2.2684 PRESSURE: 419200 -11.2189 -118.799 108.694 -118.799 -74.2085 -194.024 108.695 -194.025 -183.529 GPRESSURE: 419200 53.7044 -99.4521 182.946 -77.9352 -81.5493 -191.92 103.815 -145.311 -133.882 PRESSAVG: 419200 10.0339 1.15159 12.9496 1.15158 -0.0982124 -51.9546 12.9496 -51.9546 7.86663 GPRESSAVG: 419200 9.2883 0.144668 14.8109 1.90255 -0.36102 -51.5699 11.3196 -49.7027 8.60432 TIMING: 419200 CPU: 1210.85, 0.00287745/step Wall: 1210.85, 0.00287745/step, 3.66139 hours remaining, 205.703125 MB of memory in use. ENERGY: 419200 757.9772 2109.5052 1952.1877 109.1598 -206097.7914 17670.6025 0.0000 0.0000 34334.5923 -149163.7666 299.8525 -183498.3589 -149067.9363 299.8105 -89.6523 -53.9091 558249.9309 5.9341 5.8439 PRESSURE: 419400 -26.0278 39.3977 63.9187 39.3975 43.9219 -16.875 63.9185 -16.8749 -112.982 GPRESSURE: 419400 18.8801 125.506 84.4568 6.62362 93.215 -69.6031 -42.8854 20.7118 -113.306 PRESSAVG: 419400 -20.9259 -13.0109 33.7285 -13.011 24.8621 -23.2698 33.7286 -23.2697 -9.19045 GPRESSAVG: 419400 -21.3448 -15.5344 33.7703 -10.2894 24.957 -24.0823 33.3428 -24.3078 -8.65323 TIMING: 419400 CPU: 1211.43, 0.00290052/step Wall: 1211.43, 0.00290052/step, 3.69059 hours remaining, 205.703125 MB of memory in use. ENERGY: 419400 768.4941 2133.6048 1938.0169 100.3607 -206223.0018 17843.0736 0.0000 0.0000 34314.4684 -149124.9834 299.6768 -183439.4517 -149035.0631 299.5554 -31.6961 -0.4036 557792.9245 -1.7514 -1.6803 PRESSURE: 419600 106.026 -19.2709 -22.718 -19.2696 -86.2691 121.411 -22.7172 121.41 -72.6825 GPRESSURE: 419600 136.561 -79.3029 -134.07 -68.3131 -87.0324 149.427 36.6083 37.0937 -10.7277 PRESSAVG: 419600 17.8517 33.079 -17.1731 33.0792 22.2275 53.331 -17.1731 53.3309 -62.7927 GPRESSAVG: 419600 17.4907 35.3054 -18.6997 32.198 22.2732 54.1232 -16.3879 52.1683 -62.1643 TIMING: 419600 CPU: 1212.01, 0.00290968/step Wall: 1212.01, 0.00290968/step, 3.70209 hours remaining, 205.703125 MB of memory in use. ENERGY: 419600 712.9482 2191.6266 1951.3047 117.8317 -205897.9192 17717.9881 0.0000 0.0000 34280.3575 -148925.8625 299.3789 -183206.2200 -148831.5553 300.4399 -17.6419 12.9337 558148.1619 -7.5712 -7.4668 PRESSURE: 419800 -44.1988 86.1641 -55.736 86.1643 -162.98 34.4876 -55.7357 34.4888 -322.635 GPRESSURE: 419800 -75.0634 177.887 -40.3449 63.7935 -92.2506 91.8496 -74.0854 25.9895 -270.094 PRESSAVG: 419800 -14.7738 22.9506 -7.25047 22.9506 -22.8179 31.8947 -7.25054 31.8947 -11.4155 GPRESSAVG: 419800 -14.9558 23.4171 -4.71938 20.3471 -22.3638 33.3921 -8.43343 33.8781 -11.552 TIMING: 419800 CPU: 1212.59, 0.0028916/step Wall: 1212.59, 0.0028916/step, 3.67892 hours remaining, 205.703125 MB of memory in use. ENERGY: 419800 725.0526 2130.7390 1926.5025 108.5541 -205879.3494 17529.3443 0.0000 0.0000 34533.4177 -148925.7393 301.5889 -183459.1570 -148824.0432 299.4779 -176.6044 -145.8028 558275.1025 -16.3357 -16.2905 PRESSURE: 420000 -85.8402 2.89771 -26.8328 2.89783 -271.752 109.943 -26.8345 109.943 -347.494 GPRESSURE: 420000 -52.9137 -28.0224 64.0817 6.04547 -301.191 63.1274 -94.3637 113.068 -244.421 PRESSAVG: 420000 15.3027 40.8962 1.498 40.8961 111.26 66.5116 1.49799 66.5116 -117.897 GPRESSAVG: 420000 16.3521 40.6247 0.349133 41.1633 110.397 64.3078 2.18042 64.7373 -117.845 TIMING: 420000 CPU: 1213.17, 0.00289137/step Wall: 1213.17, 0.00289137/step, 3.67847 hours remaining, 205.703125 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: 420000 746.6131 2118.1092 1927.5528 115.6390 -205590.9298 17381.4429 0.0000 0.0000 34403.2308 -148898.3420 300.4520 -183301.5727 -148801.5032 300.4117 -235.0284 -199.5087 557164.9676 2.8884 2.9681 PRESSURE: 420200 86.9424 -59.4445 -200.153 -59.4436 -23.8791 14.8527 -200.154 14.8521 10.2337 GPRESSURE: 420200 103.474 -60.9538 -246.912 -29.8543 11.0523 -6.28079 -199.911 -49.4292 44.2804 PRESSAVG: 420200 48.9349 -3.06473 -44.0591 -3.06482 -14.6347 12.8528 -44.0592 12.8528 -21.2406 GPRESSAVG: 420200 48.3548 -3.05508 -43.9377 -1.43405 -14.7782 12.2786 -44.0929 16.3652 -20.8596 TIMING: 420200 CPU: 1213.75, 0.00290667/step Wall: 1213.75, 0.00290667/step, 3.69776 hours remaining, 205.703125 MB of memory in use. ENERGY: 420200 736.0041 2154.1816 1930.6553 115.2585 -206047.3434 17772.2228 0.0000 0.0000 34344.8124 -148994.2086 299.9418 -183339.0210 -148897.7437 300.1232 24.4324 52.9355 557065.6175 4.3532 4.2390 LDB: ============= START OF LOAD BALANCING ============== 1217.14 LDB: ============== END OF LOAD BALANCING =============== 1217.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1217.14 LDB: ============= START OF LOAD BALANCING ============== 1217.43 LDB: Largest compute 4820 load 0.027821 is 23.6% of average load 0.117858 LDB: Average compute 0.001720 is 1.5% of average load 0.117858 LDB: TIME 1217.44 LOAD: AVG 0.117858 MAX 0.183236 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.699 MB LDB: TIME 1217.44 LOAD: AVG 0.117858 MAX 0.183236 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.742 MB LDB: TIME 1217.44 LOAD: AVG 0.117858 MAX 0.183236 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1217.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1217.44 PRESSURE: 420400 -41.0105 -0.72558 -2.11501 -0.725349 -72.7523 -148.532 -2.11502 -148.531 -185.237 GPRESSURE: 420400 -21.6375 -17.9118 27.1169 50.7041 -58.658 -71.9472 -30.1543 -239.093 -125.984 PRESSAVG: 420400 4.64908 -16.3755 -32.9031 -16.3756 -0.081654 -35.8787 -32.9031 -35.8787 -15.6898 GPRESSAVG: 420400 5.71242 -16.6142 -33.3155 -15.3842 -1.2534 -34.826 -32.1846 -38.3886 -15.3552 TIMING: 420400 CPU: 1214.35, 0.00297793/step Wall: 1214.35, 0.00297793/step, 3.78825 hours remaining, 205.238281 MB of memory in use. ENERGY: 420400 716.4857 2047.9251 1961.3507 120.2293 -205659.3553 17511.1471 0.0000 0.0000 34090.0333 -149212.1841 297.7167 -183302.2173 -149113.2760 299.2037 -99.6667 -68.7598 557959.7088 -3.7075 -3.6321 PRESSURE: 420600 163.369 -47.8941 -37.6485 -47.8932 121.605 26.9402 -37.6493 26.941 407.064 GPRESSURE: 420600 161.549 -47.59 -63.1509 -23.044 142.914 -13.8811 40.4115 21.2363 495.691 PRESSAVG: 420600 17.4619 29.306 11.6668 29.306 35.9024 1.21454 11.6669 1.21451 -38.1412 GPRESSAVG: 420600 17.2382 29.7021 13.2474 27.8979 36.8126 -0.190316 11.9731 3.08243 -39.0893 TIMING: 420600 CPU: 1214.93, 0.00289894/step Wall: 1214.93, 0.00289894/step, 3.68762 hours remaining, 205.441406 MB of memory in use. ENERGY: 420600 733.2073 2040.7329 1944.0528 116.0462 -206494.5027 18138.1889 0.0000 0.0000 34239.3038 -149282.9707 299.0204 -183522.2746 -149189.9464 299.3804 230.6796 266.7178 556736.3618 5.0743 4.9871 PRESSURE: 420800 95.6716 157.155 119.382 157.155 117.094 -175.194 119.381 -175.196 -97.025 GPRESSURE: 420800 62.5278 230.437 86.0213 118.178 147.171 -147.988 56.9609 -165.968 -3.67037 PRESSAVG: 420800 0.0163182 -11.0258 17.2047 -11.0258 -21.6056 -10.8645 17.2046 -10.8646 19.1875 GPRESSAVG: 420800 -0.00242612 -8.21293 16.921 -12.4316 -20.8808 -10.9968 17.0775 -11.9451 18.5749 TIMING: 420800 CPU: 1215.51, 0.00291278/step Wall: 1215.51, 0.00291278/step, 3.70506 hours remaining, 205.441406 MB of memory in use. ENERGY: 420800 794.4573 2057.3374 1939.5822 117.0091 -206686.5856 18133.6735 0.0000 0.0000 34332.4049 -149312.1212 299.8334 -183644.5261 -149221.0318 298.4545 38.5802 68.6760 556553.2581 -0.8006 -0.7695 PRESSURE: 421000 136.03 5.95835 89.3795 5.95887 -55.4457 -62.7927 89.3791 -62.7935 256.293 GPRESSURE: 421000 144.032 -19.9452 111.167 -44.3235 19.5847 11.2954 127.099 -107.22 268.173 PRESSAVG: 421000 -2.65566 -30.971 8.82898 -30.971 -41.4557 -13.4256 8.82894 -13.4256 20.1347 GPRESSAVG: 421000 -3.2742 -35.7186 7.22118 -28.4176 -41.5234 -12.5411 7.60397 -13.9488 20.5299 TIMING: 421000 CPU: 1216.09, 0.00289383/step Wall: 1216.09, 0.00289383/step, 3.68079 hours remaining, 205.441406 MB of memory in use. ENERGY: 421000 725.9297 2083.4189 1933.3917 109.8828 -206222.3534 17981.8603 0.0000 0.0000 34195.7632 -149192.1067 298.6401 -183387.8699 -149099.3269 298.7119 112.2923 143.9300 556984.9452 -7.9922 -8.0892 PRESSURE: 421200 -175.34 112.69 -52.2801 112.692 -83.707 11.4221 -52.2799 11.4234 8.04853 GPRESSURE: 421200 -80.4412 -59.7639 -67.964 199.972 -81.1265 -8.80967 -44.948 59.7044 7.81205 PRESSAVG: 421200 -38.63 -12.6246 -17.0448 -12.6246 -42.7584 -14.765 -17.0448 -14.765 77.7941 GPRESSAVG: 421200 -38.1579 -10.8742 -18.3107 -13.1622 -42.4317 -13.2485 -16.9938 -15.2789 77.2276 TIMING: 421200 CPU: 1216.67, 0.0028792/step Wall: 1216.67, 0.0028792/step, 3.66202 hours remaining, 205.441406 MB of memory in use. ENERGY: 421200 734.4731 2032.2365 1954.3649 125.9319 -206402.1904 17794.1570 0.0000 0.0000 34313.3099 -149447.7172 299.6667 -183761.0271 -149352.8646 298.4020 -83.6662 -51.2519 557177.9584 -1.1981 -1.1207 PRESSURE: 421400 -34.8173 20.1483 200.08 20.1487 -106.989 -141.848 200.08 -141.847 -184.651 GPRESSURE: 421400 6.62601 105.866 169.885 16.4509 -82.4915 -75.3722 238.47 -183.69 -140.603 PRESSAVG: 421400 34.2377 16.7897 68.433 16.7896 15.7175 -40.361 68.433 -40.3609 -18.4005 GPRESSAVG: 421400 35.1079 15.6492 71.7219 17.4755 14.977 -43.5773 69.1207 -40.3551 -18.1998 TIMING: 421400 CPU: 1217.24, 0.00288734/step Wall: 1217.24, 0.00288734/step, 3.67222 hours remaining, 205.441406 MB of memory in use. ENERGY: 421400 756.8170 2020.8930 1949.7903 104.1632 -206391.3557 17740.3848 0.0000 0.0000 34229.5894 -149589.7179 298.9355 -183819.3073 -149503.2532 298.7479 -108.8193 -72.1562 557307.9802 10.5182 10.6284 PRESSURE: 421600 145.296 -194.502 -101.008 -194.502 4.41427 -106.354 -101.009 -106.354 11.4638 GPRESSURE: 421600 135.328 -250.423 -193.683 -113.838 27.397 -96.7053 -90.5324 -119.33 79.5462 PRESSAVG: 421600 97.6891 34.7344 5.87389 34.7344 -53.285 12.8046 5.87385 12.8047 6.28713 GPRESSAVG: 421600 96.4138 32.9528 5.8489 34.4411 -53.5457 13.5798 5.61182 12.2352 7.34514 TIMING: 421600 CPU: 1217.83, 0.00291375/step Wall: 1217.83, 0.00291375/step, 3.70565 hours remaining, 205.441406 MB of memory in use. ENERGY: 421600 759.2038 2066.3783 1932.2482 114.1084 -206468.4316 17888.1246 0.0000 0.0000 34254.7441 -149453.6241 299.1552 -183708.3682 -149357.4652 298.7993 53.7248 80.7572 556383.5799 16.8971 16.7377 PRESSURE: 421800 -36.1764 -147.306 45.877 -147.306 -110.522 58.0173 45.8766 58.0166 -230.272 GPRESSURE: 421800 -11.8033 -151.856 55.903 -117.52 -62.2236 115.32 44.2761 43.4165 -206.719 PRESSAVG: 421800 -1.12966 22.8817 8.32061 22.8817 -34.3373 -16.43 8.32062 -16.43 7.38046 GPRESSAVG: 421800 -0.680205 25.1753 8.10197 22.7513 -34.5821 -14.6906 7.21268 -17.6208 6.93787 TIMING: 421800 CPU: 1218.4, 0.00289515/step Wall: 1218.4, 0.00289515/step, 3.68183 hours remaining, 205.558594 MB of memory in use. ENERGY: 421800 757.0967 2071.0924 1965.2498 98.5377 -206170.9523 17579.1969 0.0000 0.0000 34422.1553 -149277.6235 300.6172 -183699.7788 -149183.7386 299.0787 -125.6566 -93.5821 557294.0908 -9.3622 -9.4415 PRESSURE: 422000 -0.926257 -105.405 43.0767 -105.405 11.5213 -55.9451 43.0779 -55.9461 -20.2824 GPRESSURE: 422000 34.001 -24.6171 27.5958 -151.336 22.204 -90.2072 19.6107 -15.7175 32.525 PRESSAVG: 422000 17.5976 6.35657 9.11103 6.35652 -42.8664 47.8602 9.11108 47.8603 58.0958 GPRESSAVG: 422000 16.5071 7.10509 9.50954 3.56098 -42.6317 47.3249 11.3707 48.3034 58.64 TIMING: 422000 CPU: 1218.99, 0.00290756/step Wall: 1218.99, 0.00290756/step, 3.69745 hours remaining, 205.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 422000 763.6410 2087.4465 1955.4525 120.2109 -206265.9376 17836.1976 0.0000 0.0000 34200.6670 -149302.3222 298.6829 -183502.9892 -149208.6705 299.4131 -3.2291 29.5767 556917.8428 10.9423 10.8385 PRESSURE: 422200 61.6924 -158.404 236.729 -158.406 252.64 -56.9177 236.73 -56.919 -104.637 GPRESSURE: 422200 84.695 -62.5251 196.069 -134.418 343.249 -63.0071 219.416 -74.6437 -115.915 PRESSAVG: 422200 -1.8943 -16.9459 9.32931 -16.9459 -8.30121 20.9422 9.32936 20.9422 15.0735 GPRESSAVG: 422200 -1.40005 -15.9636 9.83264 -15.5125 -8.21545 19.1152 8.73006 23.2872 15.0692 TIMING: 422200 CPU: 1219.57, 0.00290851/step Wall: 1219.57, 0.00290851/step, 3.6985 hours remaining, 205.558594 MB of memory in use. ENERGY: 422200 751.4428 2026.3274 1948.4857 120.7273 -206633.4541 18144.7704 0.0000 0.0000 34276.1930 -149365.5075 299.3425 -183641.7006 -149276.6272 299.0316 69.8986 104.0097 557660.1493 1.6260 1.8179 PRESSURE: 422400 -236.569 23.4277 114.881 23.4267 -187.487 59.9704 114.881 59.9719 93.6735 GPRESSURE: 422400 -207.193 -70.0788 40.3315 -2.54356 -123.485 12.6043 74.774 32.7468 95.5877 PRESSAVG: 422400 -12.8934 -26.4909 -23.2348 -26.4909 15.5856 9.82195 -23.2348 9.82192 -1.45821 GPRESSAVG: 422400 -12.8695 -27.8532 -24.3371 -24.9312 16.0612 10.2716 -22.0177 10.7063 -2.11962 TIMING: 422400 CPU: 1220.15, 0.00288816/step Wall: 1220.15, 0.00288816/step, 3.67246 hours remaining, 205.558594 MB of memory in use. ENERGY: 422400 773.8888 2049.2649 1951.7019 105.5770 -206380.6211 17846.8889 0.0000 0.0000 34322.4326 -149330.8669 299.7463 -183653.2995 -149230.9708 299.8917 -110.1274 -78.3633 558753.5458 0.4113 0.3574 PRESSURE: 422600 20.1225 -26.7565 -52.531 -26.7565 247.37 86.8001 -52.5322 86.7996 246.898 GPRESSURE: 422600 72.5905 -73.5646 51.9549 -1.75507 278.636 103.268 -35.2951 106.447 261.326 PRESSAVG: 422600 -10.0216 53.3335 9.78335 53.3336 -36.6154 -8.86094 9.78332 -8.86083 23.8873 GPRESSAVG: 422600 -8.90047 52.5622 11.3765 53.8406 -37.5956 -7.46583 7.98412 -9.63767 23.9983 TIMING: 422600 CPU: 1220.72, 0.0028802/step Wall: 1220.72, 0.0028802/step, 3.66218 hours remaining, 205.558594 MB of memory in use. ENERGY: 422600 711.2389 2086.7193 1933.3930 121.7015 -206314.8713 17989.6040 0.0000 0.0000 34264.0848 -149208.1299 299.2368 -183472.2147 -149108.6001 299.0883 171.4634 204.1841 557707.0951 -7.5832 -7.4993 PRESSURE: 422800 -316.687 111.766 67.3879 111.765 -430.302 -102.482 67.3885 -102.484 -312.703 GPRESSURE: 422800 -292.217 39.9605 166.69 135.842 -464.77 -105.976 27.8015 -98.9682 -224.824 PRESSAVG: 422800 -64.5116 45.9079 -22.5957 45.908 -29.7341 60.5865 -22.5958 60.5866 107.87 GPRESSAVG: 422800 -64.5057 45.7653 -24.5177 45.1965 -28.8131 59.6066 -19.7258 58.8729 106.791 TIMING: 422800 CPU: 1221.3, 0.00289053/step Wall: 1221.3, 0.00289053/step, 3.67515 hours remaining, 205.558594 MB of memory in use. ENERGY: 422800 742.8642 2055.9384 1959.0062 113.4089 -205682.6398 17277.4608 0.0000 0.0000 34281.5500 -149252.4112 299.3893 -183533.9612 -149155.3319 298.9766 -353.2305 -327.2706 559258.8805 4.5415 4.4908 PRESSURE: 423000 45.9339 -60.6684 157.977 -60.6693 -29.5411 -53.7004 157.978 -53.6987 -33.2855 GPRESSURE: 423000 155.882 -0.050749 60.9555 -105.433 -15.3904 -28.7235 177.397 -67.5942 -47.9715 PRESSAVG: 423000 -0.593932 -27.8524 21.8192 -27.8524 17.3899 -4.74996 21.8192 -4.75009 -4.83615 GPRESSAVG: 423000 0.179386 -28.4965 22.2478 -28.2134 16.1362 -4.47378 19.4345 -4.58939 -4.07975 TIMING: 423000 CPU: 1221.88, 0.0028869/step Wall: 1221.88, 0.0028869/step, 3.67037 hours remaining, 205.558594 MB of memory in use. ENERGY: 423000 729.7752 2104.1716 1938.9413 117.9850 -206007.7322 17753.8560 0.0000 0.0000 34128.4394 -149234.5636 298.0521 -183363.0031 -149138.3778 299.3909 -5.6309 30.8400 557021.8336 3.9866 4.0786 PRESSURE: 423200 -117.106 -212.289 54.6323 -212.289 -356.921 1.85019 54.6321 1.85119 -178.909 GPRESSURE: 423200 -48.9248 -155.823 137.748 -179.915 -357.996 46.3617 44.3337 3.24215 -156.809 PRESSAVG: 423200 23.7486 -25.3959 21.5121 -25.3958 -32.6867 -46.6823 21.5121 -46.6822 -6.20245 GPRESSAVG: 423200 24.1243 -23.632 22.361 -25.1402 -31.6363 -46.585 22.6797 -44.9642 -7.53439 TIMING: 423200 CPU: 1222.45, 0.00288568/step Wall: 1222.45, 0.00288568/step, 3.66866 hours remaining, 205.558594 MB of memory in use. ENERGY: 423200 769.6506 2103.1256 1952.2165 113.5434 -205883.3957 17524.0825 0.0000 0.0000 34230.9919 -149189.7852 298.9478 -183420.7771 -149095.0626 299.1515 -217.6452 -187.9099 557966.7021 -5.0469 -5.0155 PRESSURE: 423400 -152.379 -112.6 -20.9087 -112.598 220.381 -26.2082 -20.9072 -26.2083 16.8688 GPRESSURE: 423400 -100.201 -67.5512 -11.1537 -92.7659 267.109 3.83038 22.0642 -47.7667 3.40752 PRESSAVG: 423400 33.9052 -11.4273 15.2807 -11.4274 -39.6792 -38.7581 15.2807 -38.7582 -24.9452 GPRESSAVG: 423400 33.0564 -12.9726 13.553 -10.9405 -40.7362 -38.4334 15.1476 -39.2756 -23.5635 TIMING: 423400 CPU: 1223.03, 0.00286705/step Wall: 1223.03, 0.00286705/step, 3.64482 hours remaining, 205.558594 MB of memory in use. ENERGY: 423400 764.7391 2120.2662 1947.4547 110.8682 -206478.7960 17935.5389 0.0000 0.0000 34398.2373 -149201.6917 300.4084 -183599.9289 -149099.8785 299.0490 28.2903 56.7717 556843.3951 -10.2397 -10.4144 PRESSURE: 423600 123.16 -79.2406 -3.47198 -79.24 -206.007 -73.7912 -3.472 -73.7899 -74.2405 GPRESSURE: 423600 140.592 -92.688 41.5907 -21.5124 -170.119 -141.046 -96.5943 6.6674 -24.6958 PRESSAVG: 423600 23.1289 60.1574 20.6485 60.1575 62.3038 -0.389984 20.6486 -0.390026 -77.8771 GPRESSAVG: 423600 24.3001 60.6219 23.9129 59.5546 63.2368 -0.788708 20.3674 -0.695399 -79.1329 TIMING: 423600 CPU: 1223.6, 0.0028796/step Wall: 1223.6, 0.0028796/step, 3.66061 hours remaining, 205.558594 MB of memory in use. ENERGY: 423600 713.3928 2082.4481 1996.6108 122.8470 -205871.0863 17615.0645 0.0000 0.0000 34122.5223 -149218.2008 298.0005 -183340.7231 -149125.6289 299.0289 -52.3627 -18.0744 557540.4748 2.5185 2.8013 PRESSURE: 423800 -52.1979 51.6291 -5.34235 51.6282 -141.558 63.2664 -5.34317 63.2654 -40.5281 GPRESSURE: 423800 -53.1126 92.3622 81.9872 21.2076 -15.0587 99.4688 -19.0703 43.7172 -74.8021 PRESSAVG: 423800 -31.2715 16.9736 10.9535 16.9737 -24.6676 19.3407 10.9535 19.3408 -31.9049 GPRESSAVG: 423800 -32.6697 15.1838 9.38401 17.633 -24.8744 17.9013 9.51783 18.8368 -30.2592 TIMING: 423800 CPU: 1224.18, 0.00290273/step Wall: 1224.18, 0.00290273/step, 3.68986 hours remaining, 205.558594 MB of memory in use. ENERGY: 423800 753.9677 2157.9480 1941.1140 105.1240 -206175.6700 17791.0748 0.0000 0.0000 34249.1003 -149177.3411 299.1059 -183426.4414 -149081.8630 298.9783 -78.0945 -47.6578 557186.3072 -29.2813 -29.2678 PRESSURE: 424000 297.281 55.4932 26.6055 55.494 209.439 27.8422 26.6049 27.843 122.51 GPRESSURE: 424000 302.795 98.713 42.9415 68.112 257.336 -40.1267 6.06192 131.066 154.762 PRESSAVG: 424000 4.52166 -27.5534 -2.36822 -27.5534 91.1764 -3.25212 -2.36829 -3.25205 -63.0841 GPRESSAVG: 424000 5.64451 -25.3183 -3.65418 -30.1199 90.4054 -2.01341 -1.52305 -4.4136 -63.8906 TIMING: 424000 CPU: 1224.76, 0.00289599/step Wall: 1224.76, 0.00289599/step, 3.68113 hours remaining, 205.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 424000 702.3264 2121.3551 1954.1157 121.6707 -206528.0056 18061.8325 0.0000 0.0000 34274.6181 -149292.0871 299.3288 -183566.7052 -149199.9105 298.9688 209.7432 238.2976 556773.2506 10.8713 10.7198 PRESSURE: 424200 165.493 169.737 94.2039 169.738 -1.32131 11.5225 94.203 11.5234 -211.144 GPRESSURE: 424200 114.175 204.298 180.166 115.545 71.0129 18.9173 148.065 16.5708 -126.388 PRESSAVG: 424200 19.9769 0.748401 9.72732 0.748359 -3.42593 -11.5121 9.72728 -11.5121 -30.8201 GPRESSAVG: 424200 20.295 1.32352 10.8207 1.39791 -2.77273 -9.47492 9.3214 -9.28182 -31.6329 TIMING: 424200 CPU: 1225.35, 0.00292677/step Wall: 1225.35, 0.00292677/step, 3.72009 hours remaining, 205.558594 MB of memory in use. ENERGY: 424200 731.3129 2106.3772 1916.9177 128.6559 -206331.1077 17916.5894 0.0000 0.0000 34131.2369 -149400.0176 298.0766 -183531.2545 -149302.4959 298.6239 -15.6572 19.5999 557800.6632 -4.7564 -4.7035 LDB: ============= START OF LOAD BALANCING ============== 1228.74 LDB: ============== END OF LOAD BALANCING =============== 1228.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1228.74 LDB: ============= START OF LOAD BALANCING ============== 1229.03 LDB: Largest compute 4820 load 0.029036 is 24.6% of average load 0.117847 LDB: Average compute 0.001715 is 1.5% of average load 0.117847 LDB: TIME 1229.03 LOAD: AVG 0.117847 MAX 0.184394 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.004 MB LDB: TIME 1229.03 LOAD: AVG 0.117847 MAX 0.184394 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.004 MB LDB: TIME 1229.03 LOAD: AVG 0.117847 MAX 0.184394 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.004 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1229.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1229.03 PRESSURE: 424400 -29.3771 -132.497 -16.472 -132.497 -76.5998 44.827 -16.4709 44.8258 -226.525 GPRESSURE: 424400 -44.1573 -130.666 -85.5129 -111.725 -55.2769 67.2478 -13.1202 -58.4483 -144.8 PRESSAVG: 424400 26.3986 6.85317 10.3432 6.8532 32.9819 8.73321 10.3431 8.73315 -53.6052 GPRESSAVG: 424400 25.3912 5.57382 9.18566 9.65693 32.2474 5.49248 9.23146 8.12968 -51.8374 TIMING: 424400 CPU: 1225.94, 0.00295168/step Wall: 1225.94, 0.00295168/step, 3.75159 hours remaining, 205.800781 MB of memory in use. ENERGY: 424400 737.5735 2064.9364 1926.2481 121.1091 -206560.1840 17898.2881 0.0000 0.0000 34219.3761 -149592.6527 298.8463 -183812.0287 -149501.2261 298.2571 -110.8340 -81.4114 557624.2397 1.9251 1.9337 PRESSURE: 424600 20.9157 24.4912 -46.3862 24.4902 317.448 -121.085 -46.3861 -121.085 110.914 GPRESSURE: 424600 25.3809 45.5362 -28.3285 -11.4154 347.859 -137.397 -80.4524 -121.625 158.794 PRESSAVG: 424600 10.5543 -42.6572 36.1154 -42.6573 -17.4901 21.0923 36.1153 21.0923 -10.7866 GPRESSAVG: 424600 9.5317 -42.9233 38.0562 -44.5885 -16.9368 22.2149 34.8617 21.1548 -9.95307 TIMING: 424600 CPU: 1226.52, 0.00289746/step Wall: 1226.52, 0.00289746/step, 3.68251 hours remaining, 205.800781 MB of memory in use. ENERGY: 424600 768.3147 2074.7451 1948.5283 124.7653 -206650.2628 18068.1927 0.0000 0.0000 34159.2912 -149506.4255 298.3216 -183665.7167 -149410.8979 298.5281 149.7593 177.3446 557623.9942 -5.9075 -5.7861 PRESSURE: 424800 -45.3501 -27.9942 -30.2823 -27.9929 48.7402 -100.966 -30.2822 -100.967 -38.0312 GPRESSURE: 424800 56.4366 -71.6272 -79.6624 33.003 47.3073 -90.7551 -66.4401 -99.3834 -49.8991 PRESSAVG: 424800 -30.137 -12.9568 -38.0809 -12.9568 5.96292 -7.99268 -38.0809 -7.9928 20.3201 GPRESSAVG: 424800 -28.8083 -13.2145 -40.3429 -12.5505 7.1029 -9.61122 -36.3528 -8.53283 18.0131 TIMING: 424800 CPU: 1227.1, 0.00291213/step Wall: 1227.1, 0.00291213/step, 3.70099 hours remaining, 205.800781 MB of memory in use. ENERGY: 424800 778.4107 2073.0355 1947.8656 112.3794 -206177.2519 17731.5652 0.0000 0.0000 34145.5829 -149388.4125 298.2019 -183533.9954 -149297.4967 298.4118 -11.5470 17.9483 557830.1442 -1.2847 -1.2308 PRESSURE: 425000 -48.0216 -136.24 202.811 -136.239 112.264 166.673 202.812 166.672 57.2428 GPRESSURE: 425000 4.31388 -192.184 312.684 -189.267 105.501 141.606 108.159 155.446 110.3 PRESSAVG: 425000 -1.69823 -35.2228 60.0859 -35.2228 24.749 51.2504 60.0859 51.2503 -8.45841 GPRESSAVG: 425000 -1.35841 -34.8506 61.0628 -35.972 23.6761 53.1831 58.828 52.9481 -8.27674 TIMING: 425000 CPU: 1227.68, 0.00289095/step Wall: 1227.68, 0.00289095/step, 3.67392 hours remaining, 205.800781 MB of memory in use. ENERGY: 425000 743.9967 2072.8649 1953.9387 115.4268 -206126.0367 17866.4506 0.0000 0.0000 34152.7317 -149220.6273 298.2643 -183373.3590 -149121.4156 299.0153 40.4949 73.3717 557577.5880 4.8641 4.6803 PRESSURE: 425200 -30.4245 132.353 -79.2543 132.353 -44.6463 218.496 -79.2533 218.495 -31.4287 GPRESSURE: 425200 27.6894 87.1938 35.724 241.659 -3.47605 266.834 -169.541 210.684 -39.8685 PRESSAVG: 425200 -1.32772 26.966 39.6371 26.966 39.4391 65.9551 39.6372 65.9551 18.1365 GPRESSAVG: 425200 -2.05356 27.8264 40.4549 26.7867 39.6188 65.6126 39.828 64.3738 18.8766 TIMING: 425200 CPU: 1228.26, 0.00289007/step Wall: 1228.26, 0.00289007/step, 3.67264 hours remaining, 205.800781 MB of memory in use. ENERGY: 425200 751.2228 2052.0906 1921.1412 122.9594 -206326.5706 17950.7450 0.0000 0.0000 34444.6068 -149083.8048 300.8133 -183528.4116 -148988.6107 299.0166 -35.4998 -5.2184 557915.3112 18.7493 18.8140 PRESSURE: 425400 -45.8807 -21.0788 -20.1737 -21.0793 114.799 12.6918 -20.174 12.6902 44.1008 GPRESSURE: 425400 48.0445 -35.1723 -55.9475 -50.1911 109.778 85.806 -0.875589 -31.048 39.5802 PRESSAVG: 425400 25.7776 24.44 -25.9085 24.4401 52.5407 2.08976 -25.9085 2.08981 -42.4164 GPRESSAVG: 425400 25.4619 22.0428 -26.8161 27.9302 52.8208 0.319733 -23.6657 4.68101 -42.2955 TIMING: 425400 CPU: 1228.84, 0.00289219/step Wall: 1228.84, 0.00289219/step, 3.67518 hours remaining, 205.800781 MB of memory in use. ENERGY: 425400 755.8268 2092.5158 1939.0179 104.9941 -206259.8785 17829.0379 0.0000 0.0000 34494.4488 -149044.0374 301.2486 -183538.4862 -148956.0171 299.0450 37.6731 65.8009 557001.7277 11.9673 11.9958 PRESSURE: 425600 34.032 -92.2979 195.136 -92.2977 -170.474 18.1497 195.137 18.1481 -274.26 GPRESSURE: 425600 12.2989 -81.134 230.934 -157.531 -130.884 121.478 115.437 -20.6507 -188.496 PRESSAVG: 425600 11.583 -12.0875 40.1606 -12.0875 35.4578 43.24 40.1607 43.2399 -63.5384 GPRESSAVG: 425600 11.414 -10.3402 38.9764 -14.336 35.4791 44.7824 41.2369 40.2399 -63.2636 TIMING: 425600 CPU: 1229.42, 0.00290514/step Wall: 1229.42, 0.00290514/step, 3.69146 hours remaining, 205.800781 MB of memory in use. ENERGY: 425600 720.8083 2065.1991 1947.3500 112.0915 -205582.3841 17499.9994 0.0000 0.0000 34209.7182 -149027.2176 298.7620 -183236.9359 -148921.0200 299.8901 -136.9005 -102.3607 558287.6068 -5.4992 -5.4568 PRESSURE: 425800 180.329 -38.9184 -7.2196 -38.9173 -209.222 85.0543 -7.22073 85.0543 139.64 GPRESSURE: 425800 214.897 38.7573 -20.5018 -115.322 -131.856 -18.4193 -30.6204 54.3036 120.779 PRESSAVG: 425800 0.651141 -22.3818 38.683 -22.3818 -26.6198 51.7694 38.683 51.7694 48.9121 GPRESSAVG: 425800 1.80237 -22.6969 40.1171 -22.4357 -27.4084 53.303 38.1468 51.481 48.7568 TIMING: 425800 CPU: 1229.99, 0.00287375/step Wall: 1229.99, 0.00287375/step, 3.65142 hours remaining, 205.800781 MB of memory in use. ENERGY: 425800 672.7559 2127.6190 1942.2529 115.3577 -205959.4779 17803.5278 0.0000 0.0000 34357.5509 -148940.4138 300.0530 -183297.9647 -148847.3559 299.5793 36.9157 67.9399 558775.3211 7.6478 7.7169 PRESSURE: 426000 -45.0621 44.1218 120.255 44.1226 -240.436 94.2349 120.255 94.2345 -120.069 GPRESSURE: 426000 -11.7466 87.5839 157.091 37.8667 -226.682 92.201 135.932 65.1869 -71.7612 PRESSAVG: 426000 67.0332 -12.6526 3.54472 -12.6525 -46.6048 39.5792 3.54473 39.5792 10.7639 GPRESSAVG: 426000 66.2797 -11.8763 2.22039 -11.9313 -44.5825 37.4618 4.41111 40.7214 9.4835 TIMING: 426000 CPU: 1230.57, 0.00290503/step Wall: 1230.57, 0.00290503/step, 3.691 hours remaining, 205.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 426000 775.6590 2059.1868 1943.4816 129.6270 -206038.8884 17784.7530 0.0000 0.0000 34402.2655 -148943.9154 300.4435 -183346.1809 -148851.2114 300.3115 -135.1892 -103.3966 559834.9070 10.3974 10.3936 PRESSURE: 426200 226.007 -38.7129 -73.8077 -38.7121 -16.7392 -81.3168 -73.8075 -81.3162 82.9683 GPRESSURE: 426200 202.464 -31.2161 -39.4236 -29.1877 19.5292 -115.259 -31.4807 -69.4499 160.65 PRESSAVG: 426200 51.1114 15.6025 16.4414 15.6024 -54.9904 -38.2369 16.4413 -38.2369 56.0828 GPRESSAVG: 426200 50.7317 15.3646 18.1212 15.495 -57.04 -37.418 14.7974 -37.5061 59.4782 TIMING: 426200 CPU: 1231.15, 0.0028879/step Wall: 1231.15, 0.0028879/step, 3.66907 hours remaining, 205.800781 MB of memory in use. ENERGY: 426200 752.3895 2051.3477 1944.4422 113.7132 -205827.2899 17886.5198 0.0000 0.0000 34241.7409 -148837.1367 299.0416 -183078.8776 -148738.6042 300.1047 97.4121 127.5480 558240.7819 17.4013 17.7233 PRESSURE: 426400 -0.721603 95.378 109.969 95.3774 86.1543 3.57339 109.97 3.5724 -49.952 GPRESSURE: 426400 1.76762 54.3104 71.2792 105.464 134.281 120.196 87.8462 -94.0919 -15.6917 PRESSAVG: 426400 9.7621 -8.02899 43.194 -8.02898 -5.47676 -28.0439 43.194 -28.0441 -8.06941 GPRESSAVG: 426400 10.727 -7.25411 42.7557 -8.53899 -6.24883 -26.301 43.6005 -30.7442 -8.65569 TIMING: 426400 CPU: 1231.73, 0.00287556/step Wall: 1231.73, 0.00287556/step, 3.65324 hours remaining, 205.800781 MB of memory in use. ENERGY: 426400 738.9125 2096.9176 1940.7466 111.2202 -205823.4785 17781.5538 0.0000 0.0000 34319.8143 -148834.3135 299.7235 -183154.1277 -148738.5380 299.9076 11.8269 40.1190 556532.0215 -1.2614 -1.3925 PRESSURE: 426600 -116.937 57.9349 -8.03609 57.935 -15.9391 -0.457212 -8.03579 -0.456663 -40.2425 GPRESSURE: 426600 -88.186 98.8013 73.0161 43.4756 32.769 -49.3205 37.0102 -15.81 -13.0387 PRESSAVG: 426600 52.527 4.01818 31.5594 4.01812 18.3135 -24.6166 31.5594 -24.6166 -7.16258 GPRESSAVG: 426600 53.0759 1.94825 31.9128 4.50415 19.4726 -25.5404 31.7048 -23.5119 -8.67684 TIMING: 426600 CPU: 1232.3, 0.00287223/step Wall: 1232.3, 0.00287223/step, 3.64885 hours remaining, 205.800781 MB of memory in use. ENERGY: 426600 785.5020 2074.5577 1982.4733 101.4955 -205622.7418 17585.0578 0.0000 0.0000 34329.5469 -148764.1085 299.8085 -183093.6554 -148671.6433 300.7344 -57.7063 -22.8185 557863.7329 21.2260 21.2906 PRESSURE: 426800 113.714 109.147 80.6476 109.147 152.434 -182.613 80.6465 -182.613 128.922 GPRESSURE: 426800 67.458 221.781 100.69 76.5974 238.229 -171.023 42.7044 -153.955 177.213 PRESSAVG: 426800 10.9501 47.0086 29.8636 47.0086 -4.2841 -21.1861 29.8636 -21.1862 -31.3851 GPRESSAVG: 426800 9.27979 48.4522 29.3113 48.9884 -2.99356 -21.6675 30.4908 -21.5582 -31.2297 TIMING: 426800 CPU: 1232.88, 0.00288944/step Wall: 1232.88, 0.00288944/step, 3.67055 hours remaining, 205.800781 MB of memory in use. ENERGY: 426800 728.4331 2068.3500 1966.8562 105.8647 -206134.6784 17907.7051 0.0000 0.0000 34463.1844 -148894.2850 300.9756 -183357.4694 -148796.6015 300.0504 131.6901 160.9669 556888.3917 -8.2397 -8.3145 PRESSURE: 427000 -54.3697 52.1776 71.7274 52.1781 185.008 22.4756 71.7271 22.4747 60.2206 GPRESSURE: 427000 -20.6724 -8.55147 132.636 46.6906 209.376 67.686 19.118 -12.6111 93.4653 PRESSAVG: 427000 -42.2055 25.5082 29.7072 25.5081 80.921 -42.376 29.7071 -42.376 -6.80104 GPRESSAVG: 427000 -41.0045 24.4719 28.7145 24.1462 79.7145 -43.2007 29.8385 -42.9801 -6.24789 TIMING: 427000 CPU: 1233.46, 0.00289257/step Wall: 1233.46, 0.00289257/step, 3.67437 hours remaining, 205.800781 MB of memory in use. ENERGY: 427000 749.5778 2098.7124 1979.9037 114.6598 -206409.6542 18014.4348 0.0000 0.0000 34405.4047 -149046.9610 300.4710 -183452.3656 -148949.1797 300.4013 63.6195 94.0563 557402.7690 10.6382 10.8207 PRESSURE: 427200 168.706 17.7066 113.148 17.7067 18.6708 16.0191 113.146 16.0192 -109.018 GPRESSURE: 427200 210.744 52.9558 104.165 24.6159 89.5699 25.5806 131.115 50.3681 -115.211 PRESSAVG: 427200 32.6236 -18.5702 29.1499 -18.5702 -3.95385 22.4595 29.1499 22.4595 -19.9707 GPRESSAVG: 427200 31.9287 -18.1362 30.6132 -19.4028 -2.60028 24.8651 28.4304 22.8481 -20.0342 TIMING: 427200 CPU: 1234.04, 0.00289705/step Wall: 1234.04, 0.00289705/step, 3.67989 hours remaining, 205.800781 MB of memory in use. ENERGY: 427200 747.6493 2091.4460 1944.2714 118.7115 -206269.0292 17817.0074 0.0000 0.0000 34419.7073 -149130.2363 300.5959 -183549.9436 -149032.3211 299.8707 26.1195 61.7010 556798.8321 2.8997 3.0981 PRESSURE: 427400 -166.478 -160.386 -67.1164 -160.387 37.2636 56.0375 -67.1172 56.0386 102.703 GPRESSURE: 427400 -145.514 -188.926 16.1466 -173.123 86.7487 83.4472 -152.026 60.2153 126.936 PRESSAVG: 427400 8.58797 -30.7143 48.7885 -30.7143 1.1851 28.5161 48.7886 28.5161 -10.629 GPRESSAVG: 427400 8.82456 -31.0681 47.7695 -29.8031 0.399092 26.2174 48.4862 30.1896 -10.4643 TIMING: 427400 CPU: 1234.61, 0.00287635/step Wall: 1234.61, 0.00287635/step, 3.65344 hours remaining, 205.800781 MB of memory in use. ENERGY: 427400 737.1200 2048.8429 1958.8833 128.6123 -206306.4548 17839.4084 0.0000 0.0000 34360.6917 -149232.8962 300.0805 -183593.5880 -149137.6467 299.0911 -8.8373 22.7237 556641.6628 -0.2853 -0.4136 PRESSURE: 427600 -35.2972 -58.7119 -92.2602 -58.7119 112.825 -183.636 -92.2618 -183.638 109.882 GPRESSURE: 427600 -53.9325 -40.8763 -94.9133 -107.31 188.781 -179.33 -49.5169 -214.345 141.043 PRESSAVG: 427600 -7.07017 -7.34446 12.4346 -7.34444 30.7432 2.56857 12.4347 2.56854 -25.0649 GPRESSAVG: 427600 -7.38986 -6.50373 14.6877 -6.45142 30.5522 2.89633 13.6449 0.0865715 -25.0381 TIMING: 427600 CPU: 1235.19, 0.00287986/step Wall: 1235.19, 0.00287986/step, 3.65774 hours remaining, 206.003906 MB of memory in use. ENERGY: 427600 717.7210 2156.3385 1942.9535 116.7159 -205929.5489 17811.5143 0.0000 0.0000 33902.3496 -149281.9560 296.0777 -183184.3056 -149187.2439 298.9537 62.4697 91.9637 556620.2852 -0.4640 -0.6252 PRESSURE: 427800 -409.77 20.7743 5.32589 20.7746 -257.21 107.275 5.32451 107.274 -22.0854 GPRESSURE: 427800 -334.675 92.1169 -7.64112 -25.722 -253.876 123.293 12.544 85.7342 7.58382 PRESSAVG: 427800 23.2904 -22.8649 -22.7922 -22.8649 -55.5885 20.1205 -22.7922 20.1205 29.6441 GPRESSAVG: 427800 24.1878 -23.0344 -22.9418 -22.5221 -55.7645 19.4087 -24.1166 21.7927 28.4103 TIMING: 427800 CPU: 1235.76, 0.00285551/step Wall: 1235.76, 0.00285551/step, 3.62665 hours remaining, 206.003906 MB of memory in use. ENERGY: 427800 757.5190 2073.7779 1928.4030 108.5569 -205965.1329 17551.8312 0.0000 0.0000 34342.6930 -149202.3520 299.9233 -183545.0450 -149101.1336 299.0897 -229.6888 -193.6558 556518.5997 -0.8847 -1.0555 PRESSURE: 428000 408.82 25.0709 -23.2804 25.0706 66.1411 124.932 -23.2803 124.932 88.3677 GPRESSURE: 428000 399.892 45.5291 -3.96878 58.8271 78.0488 30.3429 3.79703 161.943 179.268 PRESSAVG: 428000 -9.43635 28.5067 34.0223 28.5067 -44.0918 5.72244 34.0223 5.72238 57.1597 GPRESSAVG: 428000 -11.3281 31.1301 31.5961 26.2681 -43.2718 3.99668 35.9016 6.52491 57.6693 TIMING: 428000 CPU: 1236.33, 0.00287658/step Wall: 1236.33, 0.00287658/step, 3.65326 hours remaining, 206.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 428000 730.3828 2112.4357 1941.2435 113.5167 -206543.4519 18206.0012 0.0000 0.0000 34088.9489 -149350.9230 297.7073 -183439.8720 -149265.3605 299.6230 187.7762 219.0695 556133.3909 1.2105 1.0231 PRESSURE: 428200 -6.72948 101.568 -92.8924 101.568 -131.051 172.652 -92.8919 172.653 70.2856 GPRESSURE: 428200 30.5071 110.543 -53.7925 82.9654 -89.705 224.945 -182.23 168.745 74.7952 PRESSAVG: 428200 8.52355 -11.1358 16.7543 -11.1359 -69.5677 -78.4162 16.7542 -78.4163 31.8059 GPRESSAVG: 428200 9.03467 -12.5384 17.7937 -10.5205 -70.4722 -75.4417 13.9534 -79.7841 31.3212 TIMING: 428200 CPU: 1236.91, 0.00288689/step Wall: 1236.91, 0.00288689/step, 3.66619 hours remaining, 206.003906 MB of memory in use. ENERGY: 428200 777.1853 2111.4043 1963.1130 123.1308 -206400.7796 17791.4133 0.0000 0.0000 34250.0241 -149384.5089 299.1140 -183634.5330 -149297.1360 298.7425 -22.4982 5.1991 556886.8631 -9.7461 -10.0388 LDB: ============= START OF LOAD BALANCING ============== 1240.3 LDB: ============== END OF LOAD BALANCING =============== 1240.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1240.3 LDB: ============= START OF LOAD BALANCING ============== 1240.59 LDB: Largest compute 4820 load 0.029170 is 24.8% of average load 0.117845 LDB: Average compute 0.001717 is 1.5% of average load 0.117845 LDB: TIME 1240.59 LOAD: AVG 0.117845 MAX 0.185127 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.602 MB LDB: TIME 1240.59 LOAD: AVG 0.117845 MAX 0.185127 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: TIME 1240.59 LOAD: AVG 0.117845 MAX 0.185127 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: ============== END OF LOAD BALANCING =============== 1240.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1240.6 PRESSURE: 428400 195.563 31.4189 133.467 31.4183 19.156 90.7238 133.468 90.7246 -134.718 GPRESSURE: 428400 219.408 60.5966 202.613 -33.8962 67.8633 80.8534 149.373 107.312 -103.337 PRESSAVG: 428400 -29.2792 26.4912 -2.04562 26.4913 13.7849 -30.8652 -2.04561 -30.8652 -1.13226 GPRESSAVG: 428400 -28.2934 25.0185 -1.59778 26.7058 14.3822 -30.1203 -1.14116 -31.0982 -2.45507 TIMING: 428400 CPU: 1237.5, 0.00295845/step Wall: 1237.5, 0.00295845/step, 3.75691 hours remaining, 205.003906 MB of memory in use. ENERGY: 428400 749.7454 2102.7159 1962.8713 112.1815 -206591.4336 17884.2192 0.0000 0.0000 34368.2855 -149411.4149 300.1468 -183779.7004 -149308.7289 299.6352 26.6669 61.3116 555344.0456 -5.5422 -5.4554 PRESSURE: 428600 -271.544 73.6996 170.916 73.7001 -45.7124 62.9209 170.916 62.9197 -319.924 GPRESSURE: 428600 -218.564 32.9861 102.168 130.354 -4.00567 42.7798 194.097 135.827 -312.584 PRESSAVG: 428600 -34.284 33.2711 -3.79162 33.2712 37.1737 -5.94146 -3.79169 -5.94146 41.3491 GPRESSAVG: 428600 -34.4654 34.4132 -5.7386 35.7657 35.8365 -6.38754 -2.555 -6.5463 42.5807 TIMING: 428600 CPU: 1238.08, 0.00289738/step Wall: 1238.08, 0.00289738/step, 3.67919 hours remaining, 205.003906 MB of memory in use. ENERGY: 428600 750.5687 2077.2400 1953.7235 114.6076 -206190.6473 17732.4792 0.0000 0.0000 34074.8985 -149487.1300 297.5846 -183562.0284 -149387.0764 298.9285 -212.3935 -178.3846 556089.2804 14.7463 14.6506 PRESSURE: 428800 -80.2968 -101.188 -210.687 -101.188 48.182 21.4912 -210.688 21.4912 -18.2065 GPRESSURE: 428800 -50.9474 -37.2366 -195.608 -140.475 31.6836 -32.386 -188.79 26.7198 61.9804 PRESSAVG: 428800 12.143 -6.23489 -13.955 -6.23482 1.52696 -1.86868 -13.955 -1.86864 -4.78785 GPRESSAVG: 428800 12.2575 -4.62865 -12.6264 -9.20357 1.0375 -3.75396 -13.7028 -0.188964 -4.73343 TIMING: 428800 CPU: 1238.66, 0.00289306/step Wall: 1238.66, 0.00289306/step, 3.67355 hours remaining, 205.003906 MB of memory in use. ENERGY: 428800 749.9423 2094.5290 1944.7489 117.7993 -206345.4331 17637.3803 0.0000 0.0000 34198.6944 -149602.3388 298.6657 -183801.0332 -149506.1252 298.2648 -16.7738 14.2389 555458.8349 2.9607 2.8539 PRESSURE: 429000 -368.579 3.06427 -8.38024 3.06504 333.425 -23.6453 -8.37913 -23.6447 272.03 GPRESSURE: 429000 -285.501 -70.837 3.40569 46.0373 361.383 -50.8255 60.2042 -19.7647 262.553 PRESSAVG: 429000 -99.7865 -49.7547 -38.714 -49.7547 101.696 11.9449 -38.714 11.9451 24.5467 GPRESSAVG: 429000 -102.087 -52.6207 -36.9651 -48.714 103.136 7.86618 -42.7271 11.4985 25.7794 TIMING: 429000 CPU: 1239.24, 0.00289972/step Wall: 1239.24, 0.00289972/step, 3.68184 hours remaining, 205.003906 MB of memory in use. ENERGY: 429000 761.9183 2061.0143 1976.2885 124.1885 -206417.0954 17759.8520 0.0000 0.0000 34222.4754 -149511.3585 298.8734 -183733.8339 -149412.8789 298.3670 78.9586 112.8118 555951.8506 8.8187 8.9428 PRESSURE: 429200 -292.004 67.5338 99.6198 67.5343 67.7163 14.2981 99.6199 14.2994 -32.9631 GPRESSURE: 429200 -246.831 113.605 34.2887 55.0429 100.491 32.2931 93.6613 6.20998 -10.6789 PRESSAVG: 429200 -51.1872 -16.165 25.0074 -16.165 60.7649 14.0236 25.0074 14.0236 -12.3071 GPRESSAVG: 429200 -49.6201 -14.4277 25.5653 -16.702 60.3862 18.4451 26.0717 14.5114 -13.5799 TIMING: 429200 CPU: 1239.82, 0.00290519/step Wall: 1239.82, 0.00290519/step, 3.68863 hours remaining, 205.003906 MB of memory in use. ENERGY: 429200 769.2748 2165.0105 1964.3161 120.3518 -206560.0743 17725.4080 0.0000 0.0000 34297.2259 -149518.4873 299.5262 -183815.7132 -149420.8939 298.7795 -85.7501 -52.3399 555945.7739 -0.9098 -0.9380 PRESSURE: 429400 -46.7878 124.389 37.5 124.389 -75.797 113.139 37.5009 113.14 -114.8 GPRESSURE: 429400 -6.08647 177.785 -26.3041 50.0562 -34.4691 201.977 115.111 33.5253 -93.6832 PRESSAVG: 429400 -103.275 6.30476 25.0072 6.30481 89.8442 -6.23586 25.0073 -6.23585 -43.2627 GPRESSAVG: 429400 -103.061 6.47798 22.7433 5.71664 89.6787 -5.4718 25.7503 -7.12766 -42.985 TIMING: 429400 CPU: 1240.4, 0.0029147/step Wall: 1240.4, 0.0029147/step, 3.70053 hours remaining, 205.003906 MB of memory in use. ENERGY: 429400 747.3479 2108.4503 1982.3704 118.5878 -206092.3108 17513.8937 0.0000 0.0000 34213.3173 -149408.3435 298.7934 -183621.6607 -149316.3650 298.8327 -79.1281 -44.7463 556684.7781 -18.8979 -18.7890 PRESSURE: 429600 43.2849 3.95267 -8.04825 3.95242 153.663 -60.8452 -8.04654 -60.8459 -200.72 GPRESSURE: 429600 81.1476 52.3837 -25.4844 -43.6166 188.196 -133.543 24.8885 -79.7872 -169.124 PRESSAVG: 429600 29.4946 -46.8584 -2.81537 -46.8584 17.1962 -13.3494 -2.81542 -13.3493 -52.3469 GPRESSAVG: 429600 28.7038 -47.4028 -1.71781 -46.3381 17.1781 -15.3832 -3.97153 -13.3011 -51.8436 TIMING: 429600 CPU: 1240.98, 0.00289014/step Wall: 1240.98, 0.00289014/step, 3.66919 hours remaining, 205.003906 MB of memory in use. ENERGY: 429600 739.3065 2067.4578 1940.3248 115.8169 -206260.4127 17683.8095 0.0000 0.0000 34272.9055 -149440.7918 299.3138 -183713.6972 -149340.2102 298.7245 -1.2572 33.4066 556746.8961 -1.8854 -1.9872 PRESSURE: 429800 -127.721 13.6235 -172.894 13.6238 -41.7887 57.8495 -172.894 57.8508 -120.791 GPRESSURE: 429800 -182.329 -77.4407 -92.9191 34.2177 18.5311 37.1988 -170.5 14.5732 -45.5275 PRESSAVG: 429800 -4.81977 2.90281 -15.1116 2.90276 48.5361 -40.0819 -15.1116 -40.082 -28.1177 GPRESSAVG: 429800 -4.10268 3.13685 -15.2518 3.17993 47.81 -40.7453 -13.2381 -39.8634 -28.4026 TIMING: 429800 CPU: 1241.56, 0.00289989/step Wall: 1241.56, 0.00289989/step, 3.68141 hours remaining, 205.003906 MB of memory in use. ENERGY: 429800 775.1719 2076.7149 1978.7711 124.8178 -205988.9033 17566.1654 0.0000 0.0000 34087.1981 -149380.0642 297.6920 -183467.2622 -149288.6632 299.0209 -96.7670 -69.7751 556663.7200 5.1995 5.1016 PRESSURE: 430000 146.306 48.0172 70.7054 48.0168 111.444 64.3778 70.7051 64.3783 -4.1262 GPRESSURE: 430000 165.041 -0.1627 13.094 151.832 163.987 116.18 94.2305 -3.37462 15.8619 PRESSAVG: 430000 -13.3362 -5.15632 -16.3919 -5.15628 49.1285 5.67225 -16.3918 5.67241 -69.2187 GPRESSAVG: 430000 -13.4766 -6.23408 -16.2987 -3.90395 50.4369 8.91657 -15.92 5.23658 -70.6216 TIMING: 430000 CPU: 1242.14, 0.00291351/step Wall: 1242.14, 0.00291351/step, 3.69854 hours remaining, 205.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 430000 677.7380 2077.2339 1962.6016 127.2353 -206054.2952 17765.9241 0.0000 0.0000 34261.1822 -149182.3802 299.2114 -183443.5623 -149079.7479 299.2554 84.5412 114.9633 556331.4932 -11.1421 -11.2204 PRESSURE: 430200 57.5299 -166.765 163.327 -166.764 167.062 -107.398 163.326 -107.397 150.939 GPRESSURE: 430200 81.5369 -127.176 181.976 -158.135 186.46 -129.425 192.212 -133.374 209.733 PRESSAVG: 430200 74.3207 -6.91653 -1.79074 -6.91651 -32.8844 2.58274 -1.79072 2.58272 -1.95688 GPRESSAVG: 430200 73.8937 -5.86664 -2.30052 -9.7224 -33.2689 -0.579881 -2.33013 3.66831 -1.37514 TIMING: 430200 CPU: 1242.72, 0.00288455/step Wall: 1242.72, 0.00288455/step, 3.66162 hours remaining, 205.003906 MB of memory in use. ENERGY: 430200 713.1785 2065.0749 1933.0760 106.3180 -206248.6891 17922.3556 0.0000 0.0000 34296.1343 -149212.5518 299.5167 -183508.6861 -149114.5306 299.5711 125.1768 159.2433 555721.7460 13.1598 13.0832 PRESSURE: 430400 -160.888 -68.0953 -38.6765 -68.0955 -79.5716 96.7766 -38.6755 96.7774 -23.3068 GPRESSURE: 430400 -54.0808 -109.628 34.265 -79.1862 -74.206 147.534 -57.128 32.9621 -40.4653 PRESSAVG: 430400 -3.80301 -13.124 21.3291 -13.124 58.5616 1.93644 21.3291 1.93646 -37.4145 GPRESSAVG: 430400 -4.17621 -13.7529 22.7942 -10.6954 59.0567 3.2123 21.1772 2.03041 -37.6992 TIMING: 430400 CPU: 1243.3, 0.00288084/step Wall: 1243.3, 0.00288084/step, 3.65675 hours remaining, 205.003906 MB of memory in use. ENERGY: 430400 738.6244 2014.2785 1927.2366 110.3755 -205844.8654 17462.4024 0.0000 0.0000 34279.9895 -149311.9585 299.3757 -183591.9480 -149210.3264 298.9685 -87.9220 -56.2507 555315.0995 5.7814 5.7271 PRESSURE: 430600 -196.69 6.5395 -82.8611 6.54073 -86.3023 46.5244 -82.8617 46.523 -265.244 GPRESSURE: 430600 -166.723 -7.52749 -18.8382 37.0405 -46.4838 -15.4061 -103.953 81.814 -241.861 PRESSAVG: 430600 3.09096 -16.841 40.2731 -16.841 -10.5702 -1.65163 40.273 -1.65173 -7.59333 GPRESSAVG: 430600 3.78914 -13.8761 40.5095 -19.4763 -12.0557 -2.5207 38.0893 -1.94235 -6.72332 TIMING: 430600 CPU: 1243.87, 0.00288203/step Wall: 1243.87, 0.00288203/step, 3.6581 hours remaining, 205.003906 MB of memory in use. ENERGY: 430600 741.0076 2080.2022 1927.8856 116.7222 -205463.8739 17342.0931 0.0000 0.0000 34207.7196 -149048.2435 298.7445 -183255.9632 -148948.8234 299.4266 -182.7454 -151.6893 556265.1337 -5.0242 -4.9966 PRESSURE: 430800 -140.618 -15.2535 41.6174 -15.2541 21.5817 -139.645 41.6174 -139.646 304.026 GPRESSURE: 430800 -97.6418 -12.2401 128.157 60.7173 54.1115 -139.017 3.00117 -173.706 315.379 PRESSAVG: 430800 -5.63021 1.94459 -3.23315 1.9446 -6.29446 29.8491 -3.23318 29.849 9.8296 GPRESSAVG: 430800 -5.67742 -1.3006 -2.47433 5.9284 -6.24539 30.8434 -3.92012 30.1231 10.1068 TIMING: 430800 CPU: 1244.46, 0.00291048/step Wall: 1244.46, 0.00291048/step, 3.69405 hours remaining, 205.003906 MB of memory in use. ENERGY: 430800 752.6221 2081.2232 1911.4488 115.8433 -206026.4529 17841.0245 0.0000 0.0000 34292.8973 -149031.3937 299.4884 -183324.2910 -148943.3050 299.6368 61.6632 90.6163 556031.1046 -0.6984 -0.6053 PRESSURE: 431000 -179.398 -207.411 21.547 -207.412 159.841 -6.56201 21.5471 -6.56152 -113.126 GPRESSURE: 431000 -124.279 -202.478 89.5418 -245.628 192.848 -17.0343 59.3474 20.7532 -95.9846 PRESSAVG: 431000 2.06026 -24.1626 12.0859 -24.1627 22.8203 -2.66469 12.086 -2.66467 -14.1947 GPRESSAVG: 431000 1.74096 -20.648 10.5266 -27.2184 24.6827 -2.86137 14.8976 -5.1452 -15.2266 TIMING: 431000 CPU: 1245.03, 0.00288816/step Wall: 1245.03, 0.00288816/step, 3.66556 hours remaining, 205.003906 MB of memory in use. ENERGY: 431000 769.9584 2064.9785 1975.6349 129.8065 -205867.6335 17695.2819 0.0000 0.0000 34126.2745 -149105.6988 298.0332 -183231.9733 -149008.3997 298.5121 -44.2273 -9.1384 558075.5525 3.5619 3.7324 PRESSURE: 431200 -69.6783 200.967 -2.20512 200.968 -144.3 80.229 -2.20613 80.2289 -61.4485 GPRESSURE: 431200 -67.2321 191.736 -93.8406 108.935 -31.3211 61.3431 15.1417 42.7912 -80.9948 PRESSAVG: 431200 -53.7022 -70.1357 57.2915 -70.1357 30.358 -9.41804 57.2914 -9.41804 23.9707 GPRESSAVG: 431200 -53.5035 -73.3321 57.6322 -68.979 30.3246 -8.48987 54.5345 -9.3213 23.9527 TIMING: 431200 CPU: 1245.61, 0.00288327/step Wall: 1245.61, 0.00288327/step, 3.65919 hours remaining, 205.003906 MB of memory in use. ENERGY: 431200 777.8423 2128.2742 1922.3645 112.2876 -205852.5936 17701.8580 0.0000 0.0000 34240.1853 -148969.7817 299.0281 -183209.9670 -148870.8271 299.5846 -91.8088 -59.8493 557227.2520 0.2088 0.2579 PRESSURE: 431400 -14.3278 6.40957 35.2128 6.40875 -84.0885 29.7972 35.2117 29.7943 -65.1049 GPRESSURE: 431400 -40.9741 16.7391 113.435 -33.169 -28.9314 -27.5267 28.8148 -88.8965 4.78285 PRESSAVG: 431400 -10.7984 -18.5019 8.95684 -18.502 -37.3125 -44.1134 8.95691 -44.1134 18.1169 GPRESSAVG: 431400 -10.7468 -18.3571 7.40573 -18.7636 -36.6597 -43.2049 13.7515 -44.2036 17.3174 TIMING: 431400 CPU: 1246.19, 0.00289337/step Wall: 1246.19, 0.00289337/step, 3.67184 hours remaining, 205.003906 MB of memory in use. ENERGY: 431400 747.0463 2040.1748 1938.1523 119.1432 -205757.8175 17557.7299 0.0000 0.0000 34272.8927 -149082.6784 299.3137 -183355.5711 -148991.3999 299.9039 -54.5071 -21.7075 556794.0336 -9.9980 -10.0297 PRESSURE: 431600 23.1864 41.9028 151.424 41.902 -65.161 -42.5681 151.425 -42.569 242.04 GPRESSURE: 431600 2.72639 134.348 228.228 23.3185 -32.195 -45.3754 85.3185 -46.031 321.754 PRESSAVG: 431600 -62.1023 20.3198 -7.9411 20.3199 18.1761 16.4424 -7.94106 16.4423 44.8004 GPRESSAVG: 431600 -62.1119 20.3184 -7.05935 20.7411 16.7369 16.4433 -11.9218 16.584 45.7787 TIMING: 431600 CPU: 1246.77, 0.00289862/step Wall: 1246.77, 0.00289862/step, 3.67834 hours remaining, 205.003906 MB of memory in use. ENERGY: 431600 739.5566 2061.8976 1972.8582 100.6811 -206055.3800 17857.4523 0.0000 0.0000 34209.3426 -149113.5916 298.7587 -183322.9342 -149016.7077 299.6290 66.6884 97.4285 556210.6446 0.2914 0.1345 PRESSURE: 431800 -270.236 111.776 -127.412 111.778 -242.369 104.944 -127.411 104.944 174.47 GPRESSURE: 431800 -252.498 187.265 -229.926 -28.9824 -204.632 99.3746 -122.66 82.0441 205.222 PRESSAVG: 431800 -44.1313 -25.6313 -30.571 -25.6311 34.7141 -13.1323 -30.571 -13.1323 19.9337 GPRESSAVG: 431800 -44.9238 -27.0636 -30.0098 -24.4438 35.8822 -14.9489 -28.7872 -12.3922 19.0389 TIMING: 431800 CPU: 1247.35, 0.00290474/step Wall: 1247.35, 0.00290474/step, 3.68596 hours remaining, 205.003906 MB of memory in use. ENERGY: 431800 729.6748 2088.4495 1963.6133 114.2503 -206233.8823 17653.3862 0.0000 0.0000 34484.5309 -149199.9771 301.1620 -183684.5080 -149100.7809 299.4648 -112.7118 -83.9692 557907.2440 3.5055 3.3324 PRESSURE: 432000 -66.1626 6.8098 105.251 6.80786 -230.974 99.751 105.252 99.7519 -40.9097 GPRESSURE: 432000 -31.6821 55.6805 120.215 -20.3012 -179.681 96.8463 143.814 54.6626 -33.4704 PRESSAVG: 432000 -16.1277 8.12757 49.0905 8.12761 -23.1172 41.9209 49.0905 41.921 47.8581 GPRESSAVG: 432000 -16.3473 11.4313 48.5828 6.22133 -23.3009 43.2 49.7702 41.6659 48.3135 TIMING: 432000 CPU: 1247.93, 0.00288674/step Wall: 1247.93, 0.00288674/step, 3.66296 hours remaining, 205.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 432000 732.1672 2097.2261 1956.2585 119.4835 -205867.1790 17454.7684 0.0000 0.0000 34308.4952 -149198.7801 299.6246 -183507.2753 -149102.8821 299.6322 -112.6820 -81.6113 556616.9739 2.8711 2.8884 PRESSURE: 432200 -207.382 89.7371 118.477 89.7381 -114.709 -227.864 118.477 -227.865 -136.527 GPRESSURE: 432200 -201.133 15.2252 105.157 89.3564 -109.137 -165.033 41.9277 -203.509 -52.0231 PRESSAVG: 432200 -15.8125 9.85995 59.9454 9.85997 -64.3446 12.9329 59.9455 12.9328 30.2114 GPRESSAVG: 432200 -15.4733 7.94366 59.4567 10.7741 -65.1242 12.0161 60.864 13.7331 31.0007 TIMING: 432200 CPU: 1248.51, 0.00290749/step Wall: 1248.51, 0.00290749/step, 3.68912 hours remaining, 205.003906 MB of memory in use. ENERGY: 432200 726.9069 2065.8241 1958.1417 101.8348 -205795.9864 17442.8659 0.0000 0.0000 34366.5404 -149133.8726 300.1315 -183500.4131 -149040.4711 299.4771 -152.8728 -120.7644 556705.9381 -16.6486 -16.5323 LDB: ============= START OF LOAD BALANCING ============== 1251.9 LDB: ============== END OF LOAD BALANCING =============== 1251.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1251.9 LDB: ============= START OF LOAD BALANCING ============== 1252.19 LDB: Largest compute 4820 load 0.029087 is 24.7% of average load 0.117825 LDB: Average compute 0.001720 is 1.5% of average load 0.117825 LDB: TIME 1252.19 LOAD: AVG 0.117825 MAX 0.185673 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.516 MB LDB: TIME 1252.19 LOAD: AVG 0.117825 MAX 0.185673 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.758 MB LDB: TIME 1252.19 LOAD: AVG 0.117825 MAX 0.185673 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.758 MB LDB: ============== END OF LOAD BALANCING =============== 1252.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1252.2 PRESSURE: 432400 107.42 -6.82007 108.889 -6.82084 -270.944 -95.7903 108.89 -95.7902 290.797 GPRESSURE: 432400 158.803 -76.2392 0.545888 -52.6137 -221.061 -93.9998 83.062 -20.8155 288.167 PRESSAVG: 432400 -35.1739 -11.5614 18.9769 -11.5614 21.3661 -18.0077 18.9768 -18.0077 3.38699 GPRESSAVG: 432400 -35.0245 -12.2717 19.0757 -12.6392 21.6292 -17.918 18.2742 -19.0378 3.33191 TIMING: 432400 CPU: 1249.1, 0.0029764/step Wall: 1249.1, 0.0029764/step, 3.77638 hours remaining, 205.601562 MB of memory in use. ENERGY: 432400 772.3716 2146.3567 1954.1086 115.3890 -206307.6952 17939.1253 0.0000 0.0000 34335.2351 -149045.1088 299.8581 -183380.3439 -148954.2638 299.7067 42.4246 75.3031 556795.2938 -3.4736 -3.3545 PRESSURE: 432600 52.0958 61.0086 -93.1516 61.0081 -127.462 -130.456 -93.1517 -130.456 -161.478 GPRESSURE: 432600 97.9763 67.4897 -111.526 24.7555 -121.706 -142.412 -122.677 -155.209 -117.937 PRESSAVG: 432600 21.6117 57.9384 56.6037 57.9383 -0.356618 -70.5701 56.6037 -70.5702 16.4997 GPRESSAVG: 432600 21.7487 58.7153 58.5154 57.3968 -1.09783 -70.2961 55.0113 -70.859 16.4 TIMING: 432600 CPU: 1249.69, 0.0029224/step Wall: 1249.69, 0.0029224/step, 3.70771 hours remaining, 205.859375 MB of memory in use. ENERGY: 432600 743.6406 2136.8686 1929.3545 122.4966 -205995.3667 17675.0261 0.0000 0.0000 34381.9828 -149005.9975 300.2664 -183387.9803 -148904.2132 299.9950 -78.9483 -47.2222 557994.9889 12.5849 12.3503 PRESSURE: 432800 -81.3663 -65.3905 14.578 -65.3894 18.4314 5.95829 14.5791 5.95977 -291.146 GPRESSURE: 432800 -101.354 -43.062 47.7085 -42.5653 23.0523 1.71989 36.8276 -15.9969 -173.092 PRESSAVG: 432800 -4.66343 7.28414 -12.5543 7.28405 61.1089 -6.56719 -12.5543 -6.5671 -73.19 GPRESSAVG: 432800 -4.44863 5.90035 -12.9888 8.8944 62.3107 -7.80936 -12.2333 -5.09368 -74.5264 TIMING: 432800 CPU: 1250.27, 0.00289415/step Wall: 1250.27, 0.00289415/step, 3.67171 hours remaining, 205.859375 MB of memory in use. ENERGY: 432800 748.0407 2073.3570 1935.1670 114.7358 -205866.8401 17531.7075 0.0000 0.0000 34484.4630 -148979.3692 301.1614 -183463.8321 -148875.6785 300.1717 -118.0268 -83.7979 556393.3921 -5.5815 -5.5548 PRESSURE: 433000 -18.4721 -97.1617 92.6831 -97.1618 -70.1772 123.579 92.6841 123.579 -111.501 GPRESSURE: 433000 25.2185 -98.1275 32.6056 -129.405 14.9696 145.394 61.6184 66.3607 -140.431 PRESSAVG: 433000 38.3236 10.6263 23.9725 10.6261 -0.0186512 58.4648 23.9725 58.4648 -17.2663 GPRESSAVG: 433000 39.013 11.7767 22.9047 9.13127 0.910537 59.1227 23.9249 58.4971 -19.0444 TIMING: 433000 CPU: 1250.85, 0.00289022/step Wall: 1250.85, 0.00289022/step, 3.66657 hours remaining, 205.859375 MB of memory in use. ENERGY: 433000 737.6669 2055.1905 1963.6162 108.8079 -205899.1036 17599.1075 0.0000 0.0000 34381.4246 -149053.2899 300.2615 -183434.7145 -148965.0638 299.7546 -66.7168 -33.4144 556205.2581 7.0129 6.9597 PRESSURE: 433200 -98.436 -5.88443 -144.271 -5.88419 -166.007 27.3812 -144.273 27.3821 -274.299 GPRESSURE: 433200 -39.595 -50.7069 -146.208 24.1772 -148.239 31.031 -112.202 50.9687 -256.193 PRESSAVG: 433200 3.74943 -4.13528 -17.0912 -4.13527 14.8972 21.2184 -17.0913 21.2185 -37.328 GPRESSAVG: 433200 2.79761 -2.75787 -16.6852 -2.56174 14.0182 23.0376 -15.5263 21.0264 -35.0791 TIMING: 433200 CPU: 1251.43, 0.00291641/step Wall: 1251.43, 0.00291641/step, 3.69963 hours remaining, 205.859375 MB of memory in use. ENERGY: 433200 756.3121 2036.3094 1944.5322 115.4357 -205354.9602 17360.1250 0.0000 0.0000 34318.0731 -148824.1727 299.7083 -183142.2458 -148722.5482 300.1323 -179.5807 -148.0090 558252.3242 -6.2271 -6.0878 PRESSURE: 433400 -68.0538 -72.0942 -93.8844 -72.0936 26.1068 186.195 -93.8843 186.194 -116.324 GPRESSURE: 433400 -58.4061 -117.963 -114.999 -25.9012 102.877 182.268 -45.0825 204.67 -100.942 PRESSAVG: 433400 -7.22099 -52.1233 32.3182 -52.1232 46.2395 39.3602 32.3183 39.3601 -70.0744 GPRESSAVG: 433400 -7.61771 -52.0816 32.1222 -52.7317 46.8 37.7823 31.6495 38.1219 -70.0599 TIMING: 433400 CPU: 1252.01, 0.00288227/step Wall: 1252.01, 0.00288227/step, 3.65616 hours remaining, 205.859375 MB of memory in use. ENERGY: 433400 738.7158 2150.4890 1924.1041 118.4664 -206092.5704 17814.6662 0.0000 0.0000 34396.3039 -148949.8250 300.3915 -183346.1289 -148857.9857 300.5750 -52.7569 -18.8237 557887.2191 -10.3519 -10.2925 PRESSURE: 433600 -90.4648 -36.119 -19.0445 -36.119 -292.461 93.0321 -19.0443 93.033 -118.554 GPRESSURE: 433600 -102.719 -43.8766 59.1105 42.4257 -230.944 65.879 -111.998 -59.7219 -68.9014 PRESSAVG: 433600 -2.40126 -19.2436 -4.74384 -19.2436 -6.2701 86.0727 -4.74387 86.0727 3.25651 GPRESSAVG: 433600 -2.28195 -20.3834 -4.15728 -18.8578 -6.33802 86.6949 -3.79313 87.8346 3.43462 TIMING: 433600 CPU: 1252.58, 0.00287644/step Wall: 1252.58, 0.00287644/step, 3.64861 hours remaining, 205.859375 MB of memory in use. ENERGY: 433600 728.7557 2055.0651 1950.0988 101.4817 -205805.9214 17526.5250 0.0000 0.0000 34606.9355 -148837.0595 302.2310 -183443.9951 -148741.2806 300.1537 -167.1602 -134.1881 559109.4052 -1.8050 -1.7284 PRESSURE: 433800 149.249 -5.43921 -137.711 -5.43947 4.82395 80.2694 -137.712 80.2685 154.107 GPRESSURE: 433800 216.364 -16.494 -121.681 5.19378 37.1464 116.392 -118.939 100.985 150.495 PRESSAVG: 433800 -18.5374 22.1927 -32.9341 22.1926 -4.92909 4.31348 -32.9341 4.31359 -1.48527 GPRESSAVG: 433800 -18.4603 22.0542 -33.9776 21.2867 -4.64173 3.30943 -33.6735 4.84373 -1.97487 TIMING: 433800 CPU: 1253.16, 0.00288142/step Wall: 1253.16, 0.00288142/step, 3.65477 hours remaining, 205.859375 MB of memory in use. ENERGY: 433800 739.0454 2112.1318 1957.8746 118.3135 -206248.1584 18050.6546 0.0000 0.0000 34503.2602 -148766.8782 301.3256 -183270.1384 -148671.8237 300.5611 102.7266 134.6685 558339.3514 -8.3172 -8.3590 PRESSURE: 434000 -205.277 47.4281 17.4795 47.4299 -70.5544 -63.9141 17.4775 -63.915 -91.3186 GPRESSURE: 434000 -164.101 13.5254 3.92539 39.222 -82.9684 -45.5721 32.0167 -37.0073 -19.3018 PRESSAVG: 434000 30.0717 -22.5804 13.6261 -22.5804 -46.1994 51.2748 13.6259 51.2747 17.3584 GPRESSAVG: 434000 31.1958 -21.4103 15.7103 -21.7144 -47.679 53.4269 13.1409 48.8693 17.9337 TIMING: 434000 CPU: 1253.73, 0.00288085/step Wall: 1253.73, 0.00288085/step, 3.65387 hours remaining, 205.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 434000 736.6055 2105.5937 1954.8706 115.0655 -205445.2310 17404.4683 0.0000 0.0000 34468.2856 -148660.3419 301.0201 -183128.6275 -148561.8699 300.7245 -122.3833 -88.7903 558194.4971 0.4103 0.4835 PRESSURE: 434200 1.69423 -9.59852 85.025 -9.59834 38.8076 97.9067 85.0239 97.9068 12.6885 GPRESSURE: 434200 7.21416 -5.67714 100.052 -17.5276 112.058 130.757 36.8104 43.2328 33.5393 PRESSAVG: 434200 39.3401 -17.8791 -4.27865 -17.8791 -23.9742 28.5105 -4.27866 28.5104 -2.10803 GPRESSAVG: 434200 37.9519 -19.4008 -5.8804 -17.0002 -22.0043 27.8223 -2.49775 28.8052 -3.05221 TIMING: 434200 CPU: 1254.31, 0.00288193/step Wall: 1254.31, 0.00288193/step, 3.65509 hours remaining, 205.859375 MB of memory in use. ENERGY: 434200 744.4332 2050.2293 1973.6858 124.9658 -206150.4486 17881.1626 0.0000 0.0000 34708.2281 -148667.7438 303.1156 -183375.9720 -148572.5700 300.8431 17.7301 50.9372 559156.0828 4.4193 4.2985 PRESSURE: 434400 -154.986 1.77943 32.5507 1.77755 -111.732 61.9772 32.5514 61.9766 84.8104 GPRESSURE: 434400 -133.464 -0.646957 -32.5745 55.5051 -129.814 86.0366 84.014 14.9836 181.424 PRESSAVG: 434400 12.7928 -57.7947 -5.42339 -57.7948 21.596 34.3795 -5.42335 34.3795 -51.1458 GPRESSAVG: 434400 12.9385 -56.1793 -6.96847 -58.2886 21.4501 37.0345 -5.01443 32.4498 -51.1371 TIMING: 434400 CPU: 1254.88, 0.00287523/step Wall: 1254.88, 0.00287523/step, 3.64643 hours remaining, 205.859375 MB of memory in use. ENERGY: 434400 769.3799 2127.4936 1962.9949 117.2727 -206060.0363 17893.9547 0.0000 0.0000 34426.6525 -148762.2880 300.6565 -183188.9405 -148678.0214 301.6513 -60.6359 -27.2850 558680.2047 -5.5856 -5.5828 PRESSURE: 434600 -176.964 -80.2147 -112.583 -80.2148 -261.785 68.8324 -112.582 68.8323 84.4404 GPRESSURE: 434600 -179.306 -51.4028 -128.905 -34.7511 -217.795 18.7014 -86.3657 22.0978 136.111 PRESSAVG: 434600 -39.8964 -58.5031 8.38876 -58.503 62.3595 30.2363 8.38884 30.2363 41.851 GPRESSAVG: 434600 -39.0473 -59.3294 9.8809 -57.0698 60.9868 28.2005 9.19976 30.5741 42.4237 TIMING: 434600 CPU: 1255.46, 0.00289597/step Wall: 1255.46, 0.00289597/step, 3.67257 hours remaining, 205.859375 MB of memory in use. ENERGY: 434600 789.1535 2085.0380 1947.3921 109.9666 -205819.8729 17615.1093 0.0000 0.0000 34484.8478 -148788.3656 301.1648 -183273.2134 -148689.8176 300.4679 -118.1028 -86.9967 558737.0051 21.4380 21.4544 PRESSURE: 434800 62.7498 55.662 -0.764191 55.6618 -22.9498 34.697 -0.764246 34.6959 -52.1427 GPRESSURE: 434800 48.0237 121.152 9.40327 42.9595 83.2789 4.41444 -79.4851 104.318 -45.1837 PRESSAVG: 434800 -1.38656 -24.9151 -66.7908 -24.9152 5.31928 41.4602 -66.7908 41.4602 -11.1887 GPRESSAVG: 434800 -2.11501 -25.5666 -67.5341 -26.1437 7.62073 39.9165 -69.8116 43.2961 -12.4212 TIMING: 434800 CPU: 1256.04, 0.00287632/step Wall: 1256.04, 0.00287632/step, 3.64749 hours remaining, 205.859375 MB of memory in use. ENERGY: 434800 736.3613 2116.4641 1948.8520 104.4681 -205934.0865 18004.8873 0.0000 0.0000 34193.0378 -148830.0160 298.6163 -183023.0539 -148739.3018 300.1167 -4.1142 28.7063 559427.4738 -2.4187 -2.3051 PRESSURE: 435000 -44.7077 199.009 162.52 199.009 25.0015 -103.001 162.519 -103.001 46.6114 GPRESSURE: 435000 -34.0703 198.856 125.717 184.269 74.8593 -88.1371 164.687 -159.824 88.4559 PRESSAVG: 435000 0.0815817 3.26978 3.51998 3.26969 -0.959373 -78.3148 3.52003 -78.3146 1.47309 GPRESSAVG: 435000 1.64707 3.74977 7.09111 4.12285 -1.59444 -79.1869 4.50427 -78.0124 0.8536 TIMING: 435000 CPU: 1256.61, 0.00285968/step Wall: 1256.61, 0.00285968/step, 3.62623 hours remaining, 205.859375 MB of memory in use. ENERGY: 435000 758.7413 2134.4176 1953.7943 103.5479 -205851.8707 17766.8160 0.0000 0.0000 34331.3302 -148803.2234 299.8240 -183134.5536 -148707.2880 300.8142 8.9684 43.0816 558545.6029 0.1984 0.3021 PRESSURE: 435200 191.17 13.0913 158.952 13.0922 301.88 -140.704 158.952 -140.703 270.238 GPRESSURE: 435200 258.041 47.6698 78.0123 7.09199 334.499 -178.13 225.115 3.94792 265.123 PRESSAVG: 435200 28.8361 -38.3228 44.6052 -38.3228 -8.87675 29.2856 44.6052 29.2856 17.9988 GPRESSAVG: 435200 27.1336 -36.7412 41.714 -38.4688 -8.9913 32.0019 43.9422 26.0583 19.8094 TIMING: 435200 CPU: 1257.18, 0.00286465/step Wall: 1257.18, 0.00286465/step, 3.63237 hours remaining, 205.859375 MB of memory in use. ENERGY: 435200 782.5407 2121.2989 1962.8015 109.3493 -206444.0607 18177.9313 0.0000 0.0000 34387.3720 -148902.7670 300.3135 -183290.1390 -148806.0319 299.8704 254.4294 285.8879 556405.3944 12.6527 12.6506 PRESSURE: 435400 157.641 9.32644 40.5222 9.32565 -19.4482 -67.7291 40.5207 -67.7283 -54.6056 GPRESSURE: 435400 234.349 -41.9524 48.6487 -0.453337 3.109 -117.907 80.585 -23.0077 -53.3883 PRESSAVG: 435400 -19.4958 -63.2545 15.2858 -63.2545 -58.0563 29.7126 15.2858 29.7127 59.6173 GPRESSAVG: 435400 -18.9237 -64.1812 17.0404 -64.7036 -58.8445 31.001 13.8997 30.3736 59.4745 TIMING: 435400 CPU: 1257.76, 0.00287797/step Wall: 1257.76, 0.00287797/step, 3.64911 hours remaining, 205.859375 MB of memory in use. ENERGY: 435400 751.8300 2113.8350 1955.7203 111.5500 -205552.6307 17619.4174 0.0000 0.0000 34219.7956 -148780.4824 298.8500 -183000.2780 -148685.3752 300.6432 27.8623 61.3566 557150.4072 -5.9783 -6.0979 PRESSURE: 435600 -98.3356 130.479 -15.2693 130.477 -47.113 136.711 -15.269 136.71 31.8005 GPRESSURE: 435600 1.64941 109.781 -91.5989 141.005 -45.679 67.9851 20.8092 68.3007 24.7016 PRESSAVG: 435600 82.0302 -9.32279 23.1783 -9.32278 -62.4479 -0.690504 23.1784 -0.690568 47.0986 GPRESSAVG: 435600 82.7911 -9.55966 21.4468 -8.08368 -63.2701 -3.70296 25.9256 0.432088 46.9944 TIMING: 435600 CPU: 1258.33, 0.00287808/step Wall: 1258.33, 0.00287808/step, 3.64909 hours remaining, 205.859375 MB of memory in use. ENERGY: 435600 753.0527 2160.3477 1951.6780 116.4546 -205797.4249 17597.7346 0.0000 0.0000 34347.3497 -148870.8077 299.9639 -183218.1573 -148774.8452 299.9403 -37.8827 -6.4427 558053.4474 22.2270 22.1718 PRESSURE: 435800 2.37714 52.0204 75.7054 52.0211 -271.016 52.766 75.705 52.764 209.925 GPRESSURE: 435800 -32.0063 28.151 117.63 137.182 -182.513 42.4426 90.1312 55.2319 245.298 PRESSAVG: 435800 1.81838 -11.3338 -57.7619 -11.3339 -44.3998 4.40301 -57.762 4.40287 14.1495 GPRESSAVG: 435800 -0.101694 -10.2197 -55.3949 -13.3776 -43.3806 5.38786 -59.9195 3.04078 15.0064 TIMING: 435800 CPU: 1258.91, 0.00289081/step Wall: 1258.91, 0.00289081/step, 3.66507 hours remaining, 205.859375 MB of memory in use. ENERGY: 435800 747.5295 2133.4104 1966.5308 122.3370 -205724.7051 17664.7594 0.0000 0.0000 34310.4121 -148779.7260 299.6414 -183090.1380 -148682.5473 300.4036 -19.5715 10.2596 558045.7861 -9.4773 -9.4920 PRESSURE: 436000 -292.536 116.304 115.908 116.304 -228.618 -14.0225 115.907 -14.023 -64.9775 GPRESSURE: 436000 -231.837 85.6095 242.202 138.304 -223.922 4.04533 56.6391 -25.0945 -36.321 PRESSAVG: 436000 -21.151 -23.4242 2.29118 -23.4242 -77.4332 -15.9361 2.29121 -15.936 97.9179 GPRESSAVG: 436000 -21.1743 -24.7384 0.446847 -21.5123 -78.3044 -15.6487 2.34443 -14.1614 98.5084 TIMING: 436000 CPU: 1259.49, 0.00287617/step Wall: 1259.49, 0.00287617/step, 3.64634 hours remaining, 205.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 436000 776.4492 2082.9134 1950.7153 119.6967 -205499.4081 17372.4071 0.0000 0.0000 34424.3820 -148772.8445 300.6367 -183197.2264 -148678.2072 299.7732 -195.3771 -164.0267 559016.9662 -0.2221 -0.3234 PRESSURE: 436200 127.47 -75.2752 19.4108 -75.275 -128.381 -0.357162 19.4099 -0.356707 173.666 GPRESSURE: 436200 201.872 -172.289 14.9774 -18.2492 -116.785 -5.99531 104.876 9.69938 184.986 PRESSAVG: 436200 -9.47526 2.89613 53.1538 2.89613 -21.672 -66.2131 53.1538 -66.213 18.1974 GPRESSAVG: 436200 -8.37888 2.28279 53.817 1.96949 -22.8291 -67.135 53.313 -67.0967 18.3005 TIMING: 436200 CPU: 1260.06, 0.00287536/step Wall: 1260.06, 0.00287536/step, 3.64516 hours remaining, 205.859375 MB of memory in use. ENERGY: 436200 740.6539 2115.6202 1948.9705 120.2183 -206151.3747 18015.8107 0.0000 0.0000 34451.2308 -148758.8704 300.8712 -183210.1012 -148662.6293 299.9420 57.5851 90.0240 559445.4550 -4.3166 -4.3025 LDB: ============= START OF LOAD BALANCING ============== 1263.45 LDB: ============== END OF LOAD BALANCING =============== 1263.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1263.45 LDB: ============= START OF LOAD BALANCING ============== 1263.74 LDB: Largest compute 4820 load 0.028309 is 24.0% of average load 0.117911 LDB: Average compute 0.001716 is 1.5% of average load 0.117911 LDB: TIME 1263.74 LOAD: AVG 0.117911 MAX 0.181669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 1263.74 LOAD: AVG 0.117911 MAX 0.181669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: TIME 1263.74 LOAD: AVG 0.117911 MAX 0.181669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1263.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1263.74 PRESSURE: 436400 329.414 -166.448 -42.1896 -166.449 246.009 -90.6182 -42.1903 -90.6184 -22.4168 GPRESSURE: 436400 389.091 -135.994 -64.1965 -249.074 252.255 -140.986 44.4017 -9.17289 3.58157 PRESSAVG: 436400 54.2033 -61.5594 -29.0739 -61.5595 -49.2917 -25.8175 -29.074 -25.8173 7.69504 GPRESSAVG: 436400 53.9171 -61.847 -29.8329 -61.1382 -48.4733 -26.3915 -29.3868 -25.5139 7.35022 TIMING: 436400 CPU: 1260.65, 0.00293052/step Wall: 1260.65, 0.00293052/step, 3.71493 hours remaining, 205.800781 MB of memory in use. ENERGY: 436400 761.7352 2147.3640 1947.4829 117.2317 -206245.4049 18135.4135 0.0000 0.0000 34381.0012 -148755.1763 300.2578 -183136.1775 -148660.6743 300.7357 184.3354 214.9758 559799.6994 4.2022 4.2647 PRESSURE: 436600 167.809 25.903 -46.9321 25.9034 -140.588 0.847474 -46.9315 0.846021 -71.3213 GPRESSURE: 436600 171.413 14.4445 -77.9215 162.876 -98.2725 29.6389 -39.0465 -50.6327 -18.2437 PRESSAVG: 436600 13.8331 -28.3587 0.9464 -28.3587 43.4782 -34.2294 0.946402 -34.2294 -41.1693 GPRESSAVG: 436600 14.4221 -27.6114 -1.07094 -29.2838 43.7584 -32.9042 2.3323 -33.9864 -42.1332 TIMING: 436600 CPU: 1261.23, 0.00288986/step Wall: 1261.23, 0.00288986/step, 3.66321 hours remaining, 206.003906 MB of memory in use. ENERGY: 436600 692.7333 2124.3870 1943.2964 105.3982 -205946.7631 17825.1394 0.0000 0.0000 34375.6399 -148880.1689 300.2110 -183255.8088 -148784.0263 299.9993 -14.7000 18.2989 558553.5710 5.3807 5.3491 PRESSURE: 436800 -207.616 32.2486 -96.1918 32.2478 113.084 -84.1834 -96.1929 -84.1831 -349.799 GPRESSURE: 436800 -147.569 85.9356 -124.921 42.7183 78.5553 -56.5739 -55.7476 -47.0631 -269.86 PRESSAVG: 436800 -56.4317 5.76146 28.2005 5.76132 68.7432 26.8595 28.2005 26.8595 -25.1688 GPRESSAVG: 436800 -56.5128 6.33459 30.6068 8.05469 68.6884 28.0636 27.7241 24.6914 -25.0775 TIMING: 436800 CPU: 1261.8, 0.00287961/step Wall: 1261.8, 0.00287961/step, 3.65007 hours remaining, 206.003906 MB of memory in use. ENERGY: 436800 806.0934 2094.4661 1932.9044 120.1293 -205811.1379 17719.9519 0.0000 0.0000 34449.9868 -148687.6059 300.8603 -183137.5927 -148589.3110 300.8489 -148.1102 -112.9579 559866.5900 -4.2858 -4.3006 PRESSURE: 437000 -88.151 7.71096 83.4695 7.71206 259.191 -16.4411 83.4697 -16.4413 -126.543 GPRESSURE: 437000 -47.2757 -28.3296 52.9749 -38.2704 270.341 -63.7069 49.9805 -8.9774 -74.9815 PRESSAVG: 437000 17.9015 12.3 29.5631 12.3 -24.4004 -3.30343 29.563 -3.30336 31.1593 GPRESSAVG: 437000 16.8927 12.4637 29.3683 12.6305 -23.5774 -4.68887 28.3656 -0.69147 32.3858 TIMING: 437000 CPU: 1262.38, 0.00289324/step Wall: 1262.38, 0.00289324/step, 3.66718 hours remaining, 206.121094 MB of memory in use. ENERGY: 437000 753.2164 2129.2892 1952.1481 114.8658 -205990.2857 17750.0462 0.0000 0.0000 34595.7333 -148694.9866 302.1331 -183290.7200 -148591.3501 301.4020 14.8325 49.3612 557799.2106 8.2201 8.5671 PRESSURE: 437200 -53.209 -24.0969 91.5921 -24.096 -138.818 115.015 91.5922 115.014 59.9412 GPRESSURE: 437200 -54.4203 -38.5221 26.2506 -48.867 -95.8402 133.88 160.04 55.3323 106.943 PRESSAVG: 437200 -12.3961 15.7259 6.15606 15.7259 -21.0177 -55.3525 6.15608 -55.3527 78.1289 GPRESSAVG: 437200 -11.6816 13.5762 4.51634 15.1945 -21.9015 -54.7066 6.11336 -58.0389 78.202 TIMING: 437200 CPU: 1262.96, 0.00289401/step Wall: 1262.96, 0.00289401/step, 3.66799 hours remaining, 206.121094 MB of memory in use. ENERGY: 437200 761.0520 2086.0815 1910.0631 100.3269 -205761.1264 17704.4347 0.0000 0.0000 34441.2022 -148757.9660 300.7836 -183199.1682 -148661.2078 300.7407 -44.0285 -14.4391 559128.9478 14.9050 14.8730 PRESSURE: 437400 -156.04 93.3532 11.5473 93.3525 -65.4384 22.3887 11.546 22.3884 -113.884 GPRESSURE: 437400 -108.383 109.113 38.2628 49.292 -23.5913 40.5877 49.9513 -34.0838 -108.003 PRESSAVG: 437400 41.1953 -22.9154 -35.2697 -22.9154 -10.4196 -19.513 -35.2697 -19.5129 -22.9107 GPRESSAVG: 437400 41.415 -20.0264 -34.8049 -24.2791 -9.53578 -20.0534 -33.658 -17.5809 -23.641 TIMING: 437400 CPU: 1263.54, 0.00287929/step Wall: 1263.54, 0.00287929/step, 3.64918 hours remaining, 206.121094 MB of memory in use. ENERGY: 437400 756.1719 2119.8242 1934.8519 122.7966 -205780.1916 17699.0200 0.0000 0.0000 34415.0520 -148732.4749 300.5552 -183147.5270 -148636.5972 300.8114 -111.7874 -79.9927 559390.1357 2.6217 2.7461 PRESSURE: 437600 -187.422 81.8644 -58.8034 81.8637 -38.1368 -14.8744 -58.8027 -14.8741 84.4001 GPRESSURE: 437600 -154.969 116.261 -70.467 111.812 -11.5928 11.8325 -164.784 -102.79 122.421 PRESSAVG: 437600 -41.1875 17.8994 -43.1661 17.8994 -2.56776 -0.0668358 -43.1661 -0.0668496 22.2246 GPRESSAVG: 437600 -40.8857 18.78 -41.909 17.375 -3.18113 -0.826452 -44.5463 0.256565 23.3251 TIMING: 437600 CPU: 1264.11, 0.00289087/step Wall: 1264.11, 0.00289087/step, 3.6637 hours remaining, 206.121094 MB of memory in use. ENERGY: 437600 763.0336 2110.0885 1963.9799 114.4317 -205902.7280 17701.4498 0.0000 0.0000 34297.8227 -148951.9218 299.5314 -183249.7445 -148848.6327 300.4740 -47.0529 -14.7135 557665.0803 -7.1769 -6.9139 PRESSURE: 437800 -322.301 130.234 -70.0986 130.233 21.5408 158.063 -70.0988 158.062 -184.456 GPRESSURE: 437800 -295.736 146.265 -14.0277 90.4317 -13.6616 74.6037 -37.8389 205.972 -81.7395 PRESSAVG: 437800 -58.3261 -25.8191 -3.13048 -25.8191 12.8041 7.76222 -3.13038 7.76235 60.949 GPRESSAVG: 437800 -57.9773 -27.3008 -3.68395 -23.6621 12.4219 7.84095 -3.45556 7.83227 60.9107 TIMING: 437800 CPU: 1264.69, 0.00289626/step Wall: 1264.69, 0.00289626/step, 3.67037 hours remaining, 206.121094 MB of memory in use. ENERGY: 437800 751.9436 2087.3095 1958.4326 119.6589 -206152.7657 17705.0446 0.0000 0.0000 34379.8725 -149150.5040 300.2480 -183530.3765 -149048.6470 300.0452 -161.7387 -130.3790 556482.8646 5.1423 5.1184 PRESSURE: 438000 -135.649 -87.1388 -93.9074 -87.1395 -42.9593 -93.522 -93.9069 -93.5218 -349.498 GPRESSURE: 438000 -140.857 -71.3947 -84.1132 -57.2563 -10.6635 -104.709 -54.5883 -84.007 -271.037 PRESSAVG: 438000 25.3129 8.87287 -29.7184 8.87281 -0.354288 16.0613 -29.7185 16.0613 -40.5718 GPRESSAVG: 438000 25.079 10.399 -32.1129 7.54114 -0.163039 18.4684 -29.6017 14.5062 -40.6882 TIMING: 438000 CPU: 1265.27, 0.00289058/step Wall: 1265.27, 0.00289058/step, 3.66301 hours remaining, 206.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 438000 732.3651 2125.6180 1943.4210 120.1687 -205559.3459 17313.2376 0.0000 0.0000 34271.2511 -149053.2843 299.2994 -183324.5354 -148959.9085 299.7807 -176.0352 -140.8523 556561.5039 -5.2044 -5.2574 PRESSURE: 438200 35.4414 58.0723 -126.339 58.0733 99.7361 13.6254 -126.34 13.6247 156.609 GPRESSURE: 438200 100.813 59.5979 -217.998 19.3079 111.139 68.039 -61.7252 -3.81115 184.949 PRESSAVG: 438200 26.6847 8.96557 -37.9124 8.96563 -9.3586 26.8176 -37.9123 26.8175 28.8948 GPRESSAVG: 438200 25.4144 8.68278 -35.2566 8.75104 -10.1964 24.9394 -39 27.0716 30.7738 TIMING: 438200 CPU: 1265.85, 0.00289753/step Wall: 1265.85, 0.00289753/step, 3.67165 hours remaining, 206.121094 MB of memory in use. ENERGY: 438200 748.9513 2076.7589 1970.0980 107.7414 -205974.7162 17924.3056 0.0000 0.0000 34228.9611 -148917.8999 298.9300 -183146.8610 -148830.3006 299.2850 97.2621 132.3000 558092.2121 15.4070 15.3306 PRESSURE: 438400 -41.2953 111.074 -129.754 111.076 -291.67 61.0317 -129.753 61.0316 175.494 GPRESSURE: 438400 10.3994 87.8274 -102.735 85.5746 -252.724 -16.4446 -126.904 104.326 192.35 PRESSAVG: 438400 -65.1145 71.8797 -65.978 71.8797 77.93 -6.2306 -65.9779 -6.23063 -32.0981 GPRESSAVG: 438400 -65.0555 71.2647 -65.6529 73.0153 79.3149 -5.7448 -64.672 -6.29513 -33.8814 TIMING: 438400 CPU: 1266.43, 0.00289466/step Wall: 1266.43, 0.00289466/step, 3.66786 hours remaining, 206.121094 MB of memory in use. ENERGY: 438400 705.1043 2114.5841 1950.7237 102.6648 -206226.5030 17857.3398 0.0000 0.0000 34354.6887 -149141.3976 300.0280 -183496.0863 -149044.6206 299.3348 -52.4903 -16.6581 559000.7613 -6.4275 -6.5407 PRESSURE: 438600 55.336 15.0719 17.0545 15.0728 -4.73044 25.1824 17.0541 25.1839 -103.178 GPRESSURE: 438600 147.012 -15.1747 39.2538 63.5661 0.347014 32.8418 65.8805 19.2392 -108.925 PRESSAVG: 438600 -33.5162 -10.1882 4.09251 -10.1883 5.34463 -10.7904 4.09249 -10.7903 54.8269 GPRESSAVG: 438600 -32.8748 -9.66038 3.3969 -10.2088 4.98165 -11.1218 4.51389 -8.08458 54.915 TIMING: 438600 CPU: 1267.01, 0.00288827/step Wall: 1267.01, 0.00288827/step, 3.6596 hours remaining, 206.121094 MB of memory in use. ENERGY: 438600 746.7623 2105.7722 1927.0990 111.5279 -206177.3608 17912.3495 0.0000 0.0000 34050.4729 -149323.3769 297.3712 -183373.8498 -149227.8284 299.4826 -17.5243 12.8113 557850.3732 8.8851 9.0073 PRESSURE: 438800 -45.8882 48.8158 19.3528 48.8155 25.3157 114.529 19.3531 114.53 309.548 GPRESSURE: 438800 37.8773 62.7325 -61.6391 79.723 31.8984 28.8678 53.666 86.1093 318.213 PRESSAVG: 438800 2.31747 31.6658 11.3655 31.6658 -45.4576 28.5796 11.3654 28.5798 57.2559 GPRESSAVG: 438800 2.40419 30.1248 8.98055 32.8159 -45.1533 28.6215 12.4991 28.3471 57.7318 TIMING: 438800 CPU: 1267.59, 0.00290641/step Wall: 1267.59, 0.00290641/step, 3.68242 hours remaining, 206.121094 MB of memory in use. ENERGY: 438800 745.0070 2091.7061 1947.3040 107.7879 -206016.6130 17854.7576 0.0000 0.0000 34060.1694 -149209.8811 297.4559 -183270.0504 -149115.7373 298.6670 96.3252 129.3296 558243.6682 4.7053 4.9942 PRESSURE: 439000 116.262 -241.271 -65.9065 -241.271 203.801 6.4821 -65.9061 6.47976 -196.409 GPRESSURE: 439000 175.114 -263.787 -84.203 -219.201 232.664 74.2783 -67.2653 -40.7222 -172.632 PRESSAVG: 439000 8.36621 -20.2048 -19.8543 -20.2049 29.5805 11.2715 -19.8543 11.2715 25.7852 GPRESSAVG: 439000 9.334 -19.198 -18.4339 -21.0561 29.5529 10.7522 -22.737 9.39259 24.611 TIMING: 439000 CPU: 1268.17, 0.00289201/step Wall: 1268.17, 0.00289201/step, 3.66402 hours remaining, 206.121094 MB of memory in use. ENERGY: 439000 724.6553 2123.2478 1961.1490 108.4723 -206298.8186 17990.2233 0.0000 0.0000 34354.9304 -149036.1405 300.0302 -183391.0709 -148939.6367 298.9403 41.2182 78.3819 558612.3461 21.2440 21.1660 PRESSURE: 439200 100.225 42.1928 82.9997 42.1914 60.2074 -104.452 83.0004 -104.451 350.896 GPRESSURE: 439200 135.254 82.2306 12.2642 1.59335 75.3623 -162.95 67.9315 -32.5744 400.435 PRESSAVG: 439200 24.89 -33.2579 41.287 -33.2578 10.1196 14.6039 41.287 14.6038 -20.2804 GPRESSAVG: 439200 23.4884 -31.9631 39.0346 -34.7507 9.26525 14.9671 43.7453 13.918 -19.0771 TIMING: 439200 CPU: 1268.74, 0.00288516/step Wall: 1268.74, 0.00288516/step, 3.65517 hours remaining, 206.121094 MB of memory in use. ENERGY: 439200 732.4423 2033.0505 1978.4158 115.1526 -206101.6727 17994.6948 0.0000 0.0000 34282.8452 -148965.0715 299.4006 -183247.9167 -148875.1768 299.3437 170.4426 203.6838 558904.0735 4.9097 4.5588 PRESSURE: 439400 -147.589 -175.872 75.502 -175.872 -151.103 -108.344 75.5024 -108.343 -128.915 GPRESSURE: 439400 -126.912 -182.557 163.406 -108.353 -111.131 -59.8255 -34.1959 -131.208 -97.858 PRESSAVG: 439400 -15.9918 -16.645 50.5344 -16.645 -26.3067 -19.39 50.5343 -19.3899 -8.57466 GPRESSAVG: 439400 -15.9761 -15.782 53.4333 -15.8786 -25.9127 -18.4638 47.9722 -20.3941 -8.73186 TIMING: 439400 CPU: 1269.32, 0.00288584/step Wall: 1269.32, 0.00288584/step, 3.65587 hours remaining, 206.121094 MB of memory in use. ENERGY: 439400 744.4161 2040.3496 1976.1179 115.6256 -205924.8390 17710.3475 0.0000 0.0000 34352.6552 -148985.3270 300.0103 -183337.9822 -148887.2097 299.7560 -142.5355 -111.9671 558207.1612 -16.9577 -16.8735 PRESSURE: 439600 -7.64535 41.4654 123.201 41.4646 -222.214 -93.0881 123.2 -93.0882 -25.6669 GPRESSURE: 439600 41.2344 -31.6806 2.51909 49.9872 -179.241 -20.2979 87.466 -56.2252 -21.6143 PRESSAVG: 439600 2.59189 -24.0494 43.8266 -24.0492 14.727 -6.74651 43.8266 -6.74663 7.92384 GPRESSAVG: 439600 3.04823 -27.0145 42.3173 -22.2103 14.93 -9.03109 45.1845 -3.38375 7.80387 TIMING: 439600 CPU: 1269.9, 0.00288978/step Wall: 1269.9, 0.00288978/step, 3.66071 hours remaining, 206.121094 MB of memory in use. ENERGY: 439600 773.2881 2088.4407 1962.5382 104.0109 -206035.0091 17796.9706 0.0000 0.0000 34247.7240 -149062.0366 299.0939 -183309.7606 -148965.0906 299.6247 -85.1755 -53.2071 557217.8548 8.4143 8.5940 PRESSURE: 439800 271.639 -10.1181 121.661 -10.1189 24.4375 -161.358 121.66 -161.356 67.3473 GPRESSURE: 439800 273.151 45.5434 171.876 -5.14641 92.2738 -162.013 46.2522 -188.11 106.407 PRESSAVG: 439800 7.48838 -47.6399 36.3554 -47.6399 52.9596 -15.9344 36.3554 -15.9346 -15.9962 GPRESSAVG: 439800 6.28907 -45.8081 34.0976 -48.8298 53.282 -16.2257 38.5115 -17.6956 -15.6984 TIMING: 439800 CPU: 1270.48, 0.00290979/step Wall: 1270.48, 0.00290979/step, 3.68589 hours remaining, 206.121094 MB of memory in use. ENERGY: 439800 753.9570 2081.2522 1954.1718 110.5758 -206054.9841 17985.7388 0.0000 0.0000 34199.7905 -148969.4980 298.6753 -183169.2885 -148872.0716 299.5898 121.1412 157.2775 558407.9593 14.8173 14.6242 PRESSURE: 440000 -59.1072 116.201 -49.996 116.202 352.491 -221.558 -49.995 -221.558 -154.876 GPRESSURE: 440000 -76.5648 135.608 -10.7696 164.975 413.081 -198.559 -41.9544 -203.479 -102.118 PRESSAVG: 440000 -1.43011 -7.57763 -17.0452 -7.57773 -51.7312 -6.94386 -17.0452 -6.94393 60.7472 GPRESSAVG: 440000 -0.397278 -6.63347 -15.6172 -8.44901 -53.1484 -5.21302 -18.3365 -8.14416 61.3536 TIMING: 440000 CPU: 1271.06, 0.00289395/step Wall: 1271.06, 0.00289395/step, 3.66566 hours remaining, 206.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 440000 763.3727 2077.2146 1946.6781 118.2212 -205530.4282 17735.5788 0.0000 0.0000 34100.0248 -148789.3380 297.8040 -182889.3628 -148695.0081 299.7860 46.1692 78.1328 559524.0763 2.5286 2.6027 PRESSURE: 440200 -199.242 109.454 -7.33796 109.454 -269.768 84.1581 -7.33893 84.1574 -109.506 GPRESSURE: 440200 -168.355 29.3478 -122.513 64.4687 -210.672 117.056 48.0204 82.182 -105.03 PRESSAVG: 440200 -38.7546 -30.1793 -15.6838 -30.1793 56.9965 27.5518 -15.6838 27.5519 17.5889 GPRESSAVG: 440200 -39.1073 -30.5485 -13.9258 -30.8245 58.5191 26.9287 -18.2185 29.3343 16.7886 TIMING: 440200 CPU: 1271.64, 0.00290522/step Wall: 1271.64, 0.00290522/step, 3.67978 hours remaining, 206.121094 MB of memory in use. ENERGY: 440200 744.6162 2101.8217 1940.1096 125.3339 -205206.8107 17411.0414 0.0000 0.0000 34123.4048 -148760.4831 298.0082 -182883.8878 -148667.8194 299.7659 -192.8387 -161.3522 559497.0956 11.9436 12.0668 LDB: ============= START OF LOAD BALANCING ============== 1275.03 LDB: ============== END OF LOAD BALANCING =============== 1275.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1275.03 LDB: ============= START OF LOAD BALANCING ============== 1275.32 LDB: Largest compute 4820 load 0.028190 is 23.9% of average load 0.117930 LDB: Average compute 0.001729 is 1.5% of average load 0.117930 LDB: TIME 1275.32 LOAD: AVG 0.11793 MAX 0.184792 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.871 MB LDB: TIME 1275.32 LOAD: AVG 0.11793 MAX 0.184792 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.941 MB LDB: TIME 1275.32 LOAD: AVG 0.11793 MAX 0.184792 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1275.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1275.33 PRESSURE: 440400 -102.474 139.809 -122.135 139.807 -54.4282 162.492 -122.134 162.494 21.656 GPRESSURE: 440400 -76.3255 156.703 -193.319 164.16 1.18838 113.159 -91.0287 117.433 31.6338 PRESSAVG: 440400 -43.1813 14.6046 38.851 14.6046 27.186 -3.66454 38.8511 -3.66454 8.35085 GPRESSAVG: 440400 -42.0335 15.774 37.5505 14.8293 26.8328 -3.8161 40.7163 -3.88209 7.6474 TIMING: 440400 CPU: 1272.23, 0.00295161/step Wall: 1272.23, 0.00295161/step, 3.73837 hours remaining, 205.394531 MB of memory in use. ENERGY: 440400 787.2908 2104.1757 1930.3100 106.8919 -205905.0918 17750.8185 0.0000 0.0000 34339.5579 -148886.0470 299.8959 -183225.6049 -148785.4252 300.3566 -45.0822 -14.5011 559494.1965 -2.5481 -2.5178 PRESSURE: 440600 -34.0464 -109.31 231.568 -109.311 112.392 -190.621 231.569 -190.622 87.104 GPRESSURE: 440600 8.71154 -86.8139 216.871 -156.713 158.457 -246.613 263.354 -196.806 82.4556 PRESSAVG: 440600 -36.4886 26.0538 -5.23551 26.0538 36.972 -19.2294 -5.23551 -19.2295 -8.7117 GPRESSAVG: 440600 -36.7763 24.9489 -3.77872 26.3668 35.5377 -20.3238 -6.29215 -18.4174 -7.17489 TIMING: 440600 CPU: 1272.81, 0.00290755/step Wall: 1272.81, 0.00290755/step, 3.68241 hours remaining, 205.394531 MB of memory in use. ENERGY: 440600 766.2068 2144.9656 1947.9359 122.9656 -206089.6417 17810.0374 0.0000 0.0000 34361.8687 -148935.6616 300.0907 -183297.5303 -148835.6924 300.4829 55.1500 83.2081 557466.5556 -2.7428 -2.8045 PRESSURE: 440800 -61.7402 -62.341 90.6181 -62.3414 118.067 42.1881 90.6172 42.1884 143.341 GPRESSURE: 440800 -47.7104 -79.7007 124.65 -46.8303 184.542 100.411 169.655 -25.2604 163.086 PRESSAVG: 440800 30.3938 -41.9971 69.0904 -41.997 2.54019 -36.1641 69.0903 -36.164 33.2554 GPRESSAVG: 440800 29.7144 -41.836 69.4543 -40.9857 3.51912 -34.377 67.4888 -37.6385 32.7555 TIMING: 440800 CPU: 1273.39, 0.00289931/step Wall: 1273.39, 0.00289931/step, 3.67181 hours remaining, 205.394531 MB of memory in use. ENERGY: 440800 734.6513 2063.0748 1963.6040 113.2815 -205971.3360 17849.4442 0.0000 0.0000 34254.7675 -148992.5127 299.1554 -183247.2802 -148887.0095 299.9410 66.5558 99.9725 557091.2947 22.0631 21.9964 PRESSURE: 441000 217.407 -30.2068 29.3902 -30.2064 -78.3428 -85.5623 29.3891 -85.5629 -132.845 GPRESSURE: 441000 233.943 -127.631 -112.623 5.43713 5.20853 -77.4299 100.708 -77.0067 -119.473 PRESSAVG: 441000 -4.7881 -56.7557 8.06352 -56.7557 -11.3143 19.6111 8.06345 19.6111 26.2716 GPRESSAVG: 441000 -3.76577 -57.418 6.8705 -57.2469 -11.1356 18.6114 11.3348 21.378 25.6654 TIMING: 441000 CPU: 1273.98, 0.00294305/step Wall: 1273.98, 0.00294305/step, 3.72704 hours remaining, 205.394531 MB of memory in use. ENERGY: 441000 753.8894 2086.3279 1930.0043 109.3630 -206055.7109 17842.3852 0.0000 0.0000 34362.0485 -148971.6926 300.0923 -183333.7412 -148878.1721 299.6961 2.0729 39.8928 557785.7041 3.3897 3.5880 PRESSURE: 441200 191.301 63.8233 41.4213 63.824 13.048 -36.262 41.4211 -36.2626 136.419 GPRESSURE: 441200 234.843 25.7136 34.0549 130.08 21.8497 -109.785 44.7495 55.5371 184.875 PRESSAVG: 441200 45.0473 35.0257 -6.72486 35.0257 -24.7603 57.2674 -6.72494 57.2674 -11.5348 GPRESSAVG: 441200 44.5531 34.6044 -5.80537 38.0077 -25.3737 57.3567 -8.90005 56.7356 -10.4048 TIMING: 441200 CPU: 1274.56, 0.00291159/step Wall: 1274.56, 0.00291159/step, 3.68705 hours remaining, 205.394531 MB of memory in use. ENERGY: 441200 755.1975 2074.2309 1934.0868 113.9402 -206240.3723 17964.7840 0.0000 0.0000 34373.1186 -149025.0144 300.1890 -183398.1329 -148926.3053 299.3919 113.5895 147.1891 556756.9483 2.9174 2.9248 PRESSURE: 441400 -142.147 63.1091 -176.677 63.1099 -211.096 22.8612 -176.678 22.8618 -206.735 GPRESSURE: 441400 -130.127 73.2631 -173.443 47.8409 -186.316 -3.8342 -126.343 78.8688 -141.741 PRESSAVG: 441400 -2.2949 43.1519 -35.2498 43.1519 -27.2598 64.2431 -35.2497 64.243 41.2517 GPRESSAVG: 441400 -1.27659 45.6192 -36.639 39.4807 -27.9462 64.3645 -32.4732 62.4611 40.3141 TIMING: 441400 CPU: 1275.14, 0.00289236/step Wall: 1275.14, 0.00289237/step, 3.66254 hours remaining, 205.394531 MB of memory in use. ENERGY: 441400 794.2797 2072.3281 1972.6260 127.2256 -206075.3679 17605.9622 0.0000 0.0000 34336.0928 -149166.8536 299.8656 -183502.9464 -149071.6580 299.5359 -186.6595 -152.7280 557880.4820 3.8990 3.6971 PRESSURE: 441600 202.612 198.541 -144.432 198.542 183.816 -96.0151 -144.432 -96.0146 -255.485 GPRESSURE: 441600 260.842 230.557 -156.019 145.181 193.29 -150.914 -149.732 -114.07 -226.904 PRESSAVG: 441600 32.0875 59.9838 -88.749 59.9838 -9.63098 -6.29231 -88.749 -6.2923 7.33438 GPRESSAVG: 441600 30.9339 57.959 -88.9061 61.8047 -8.40945 -6.28142 -89.6398 -4.23433 7.01501 TIMING: 441600 CPU: 1275.72, 0.00289536/step Wall: 1275.72, 0.00289536/step, 3.66617 hours remaining, 205.394531 MB of memory in use. ENERGY: 441600 755.7274 2072.0869 1954.7114 101.0689 -206107.9170 17912.5153 0.0000 0.0000 34095.8495 -149215.9576 297.7675 -183311.8071 -149119.2007 298.9504 43.6478 75.7424 556857.7961 9.9303 9.8465 PRESSURE: 441800 -19.1631 111.598 -55.9021 111.598 -125.881 12.527 -55.9017 12.5256 408.501 GPRESSURE: 441800 -52.3464 151.361 -47.9057 15.0327 -62.5946 48.5866 -20.5468 2.4212 468.149 PRESSAVG: 441800 -34.9598 23.7713 -30.958 23.7712 -0.712719 -20.9885 -30.9579 -20.9886 45.6949 GPRESSAVG: 441800 -35.2826 23.8732 -28.2719 22.2242 -0.372189 -20.8707 -31.8562 -21.3954 46.4465 TIMING: 441800 CPU: 1276.3, 0.00289731/step Wall: 1276.3, 0.00289731/step, 3.66848 hours remaining, 205.394531 MB of memory in use. ENERGY: 441800 731.5682 2135.2099 1933.4899 103.2651 -206356.3348 17942.8331 0.0000 0.0000 34222.1535 -149287.8151 298.8706 -183509.9686 -149193.2270 298.9470 87.8191 117.7361 556650.7012 3.3408 3.5972 PRESSURE: 442000 -205.137 17.8079 -15.0245 17.8084 -123.957 -58.8741 -15.0243 -58.8736 -87.0007 GPRESSURE: 442000 -151.489 24.6525 -88.1303 -62.8127 -121.052 -3.25722 -15.6268 -52.8105 -48.4802 PRESSAVG: 442000 -24.1445 28.9234 13.2689 28.9234 -58.0761 22.3501 13.269 22.3501 42.1344 GPRESSAVG: 442000 -23.4735 28.4881 10.8653 28.7836 -57.6673 23.0801 12.426 21.9759 40.8968 TIMING: 442000 CPU: 1276.88, 0.00288758/step Wall: 1276.88, 0.00288758/step, 3.656 hours remaining, 205.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 442000 771.2286 2129.3540 1932.7412 104.1078 -206126.1405 17693.7556 0.0000 0.0000 34335.0362 -149159.9172 299.8564 -183494.9534 -149062.3142 298.9739 -138.6985 -107.0069 558579.1702 -13.3621 -13.4147 PRESSURE: 442200 -121.588 42.6772 -62.0066 42.6774 143.444 -117.432 -62.0065 -117.434 49.0281 GPRESSURE: 442200 -86.1242 40.2114 -84.7334 71.0443 133.565 -121.025 4.31727 -136.306 106.06 PRESSAVG: 442200 -12.2791 15.437 11.2653 15.437 -8.30769 18.326 11.2652 18.3261 6.01599 GPRESSAVG: 442200 -12.5928 15.506 11.8594 17.1054 -9.75576 19.4743 13.5037 18.3248 8.08064 TIMING: 442200 CPU: 1277.46, 0.00288062/step Wall: 1277.46, 0.00288062/step, 3.64703 hours remaining, 205.394531 MB of memory in use. ENERGY: 442200 725.0690 2071.8141 1940.3333 106.1279 -206170.2034 17814.1322 0.0000 0.0000 34221.6492 -149291.0776 298.8662 -183512.7268 -149192.6423 299.3773 23.6278 51.1669 556947.5528 -4.8569 -4.7560 PRESSURE: 442400 -73.0933 -118.661 55.4524 -118.661 -124.694 81.6286 55.4553 81.6287 -283.232 GPRESSURE: 442400 -67.2608 -36.0297 157.901 -142.126 -75.6636 102.921 -50.5399 44.2975 -233.874 PRESSAVG: 442400 -2.57967 -41.4696 6.42552 -41.4696 8.75254 -45.8008 6.4255 -45.8008 -18.9016 GPRESSAVG: 442400 -0.0425263 -39.9897 6.35343 -44.2029 7.50752 -47.8007 5.85222 -46.1305 -19.5599 TIMING: 442400 CPU: 1278.03, 0.00289039/step Wall: 1278.03, 0.00289039/step, 3.65924 hours remaining, 205.394531 MB of memory in use. ENERGY: 442400 722.2096 2111.9868 1958.5939 111.5872 -206050.9721 17570.4898 0.0000 0.0000 34113.9257 -149462.1791 297.9254 -183576.1048 -149375.3567 299.3896 -160.3398 -125.5996 557196.2018 -4.2429 -4.0316 PRESSURE: 442600 140.69 -101.598 -119.524 -101.598 -55.4176 -74.8096 -119.526 -74.8102 -19.9252 GPRESSURE: 442600 152.954 -89.2376 -42.909 -104.153 21.6978 -84.2188 -123.288 -61.7438 -6.25549 PRESSAVG: 442600 -35.2765 -45.2447 10.8236 -45.2447 -18.479 -8.62511 10.8235 -8.62524 29.979 GPRESSAVG: 442600 -36.2843 -47.3782 11.7533 -44.2516 -16.7854 -9.0031 9.96268 -7.36157 29.7429 TIMING: 442600 CPU: 1278.61, 0.00288416/step Wall: 1278.61, 0.00288416/step, 3.65118 hours remaining, 205.394531 MB of memory in use. ENERGY: 442600 755.1736 2069.9299 1935.1534 114.0624 -206374.3741 17984.3019 0.0000 0.0000 34121.4425 -149394.3105 297.9910 -183515.7530 -149301.0489 298.1543 21.7826 56.1322 557220.2156 -7.9255 -7.7756 PRESSURE: 442800 -150.156 182.881 40.318 182.882 -57.4854 -14.127 40.3184 -14.1285 -238.082 GPRESSURE: 442800 -125.735 184.691 -1.71038 169.778 -25.2522 32.924 71.4873 -14.3559 -190.764 PRESSAVG: 442800 -14.4752 -3.68977 -39.6366 -3.68967 15.5527 -5.86452 -39.6366 -5.86446 -57.1424 GPRESSAVG: 442800 -14.0577 -2.59059 -39.9617 -4.27544 16.0345 -4.30144 -39.6419 -5.02424 -58.1708 TIMING: 442800 CPU: 1279.19, 0.00288136/step Wall: 1279.19, 0.00288136/step, 3.64748 hours remaining, 205.652344 MB of memory in use. ENERGY: 442800 767.3514 2122.5517 1975.5734 107.1900 -206209.0554 17637.5663 0.0000 0.0000 34217.9677 -149380.8550 298.8340 -183598.8227 -149282.3715 298.3873 -148.5745 -113.9173 558227.1859 -18.6883 -18.7313 PRESSURE: 443000 -18.896 176.489 -39.8549 176.489 161.6 324.475 -39.8554 324.475 10.4324 GPRESSURE: 443000 -10.144 137.549 -71.1341 221.637 153.022 307.296 7.46987 247.651 120.232 PRESSAVG: 443000 9.03277 8.51517 36.2879 8.51521 102.355 70.3345 36.2879 70.3345 -28.8343 GPRESSAVG: 443000 9.0214 9.20483 36.0824 8.41903 101.934 68.9614 39.0616 69.0024 -27.8791 TIMING: 443000 CPU: 1279.76, 0.00288583/step Wall: 1279.76, 0.00288583/step, 3.65298 hours remaining, 205.652344 MB of memory in use. ENERGY: 443000 782.1727 2062.3632 1971.3390 113.3814 -206553.3413 18109.0367 0.0000 0.0000 34341.4730 -149173.5753 299.9126 -183515.0484 -149077.1935 299.9556 51.0456 87.7034 556417.2142 27.5180 27.6920 PRESSURE: 443200 -197.002 127.146 -22.5991 127.146 -157.733 19.8742 -22.5988 19.8747 187.24 GPRESSURE: 443200 -181.808 66.2681 -0.125484 186.896 -72.4989 146.637 11.5701 56.1123 181.604 PRESSAVG: 443200 -86.973 35.4969 23.9592 35.4969 68.0821 25.4859 23.9592 25.4859 27.9889 GPRESSAVG: 443200 -87.2201 34.3297 23.5323 35.6112 68.1042 25.3837 21.8861 25.6344 28.3539 TIMING: 443200 CPU: 1280.34, 0.00288594/step Wall: 1280.34, 0.00288594/step, 3.65296 hours remaining, 205.652344 MB of memory in use. ENERGY: 443200 784.9657 2121.4640 1949.8123 121.0487 -206415.2095 17739.5745 0.0000 0.0000 34357.4240 -149340.9203 300.0519 -183698.3444 -149246.1828 299.7487 -55.8313 -24.2341 556191.0146 3.0326 3.0794 PRESSURE: 443400 -202.004 9.44531 114.952 9.44521 -312.697 -150.963 114.953 -150.964 -171.695 GPRESSURE: 443400 -167.077 20.9668 36.1562 -22.2285 -323.677 -12.973 125.221 -152.655 -100.494 PRESSAVG: 443400 -108.41 39.4761 21.5012 39.476 30.5608 -64.1443 21.5012 -64.1442 37.0024 GPRESSAVG: 443400 -108.553 41.118 22.0889 38.3345 30.587 -62.8076 20.6999 -64.9028 37.4976 TIMING: 443400 CPU: 1280.92, 0.00287204/step Wall: 1280.92, 0.00287204/step, 3.6352 hours remaining, 205.652344 MB of memory in use. ENERGY: 443400 804.4213 2128.5249 1968.1510 111.7639 -205893.8106 17386.6415 0.0000 0.0000 34110.7287 -149383.5794 297.8975 -183494.3081 -149284.5704 299.3150 -228.7988 -197.0829 555699.6901 -13.6156 -13.4893 PRESSURE: 443600 -274.571 -28.5172 2.40844 -28.5163 122.967 38.4062 2.40882 38.4082 -77.2789 GPRESSURE: 443600 -194.694 -48.9378 -27.7752 -33.0259 128.01 -2.70607 79.1933 95.3062 -67.8236 PRESSAVG: 443600 -51.4639 6.91837 59.7242 6.91849 9.62022 -24.2251 59.7242 -24.2252 76.2604 GPRESSAVG: 443600 -51.9832 4.64347 61.0053 7.20813 8.74907 -24.0059 58.3029 -24.4701 77.4031 TIMING: 443600 CPU: 1281.49, 0.00287916/step Wall: 1281.49, 0.00287916/step, 3.64405 hours remaining, 205.652344 MB of memory in use. ENERGY: 443600 720.3339 2127.6819 1931.7721 116.6964 -205947.2012 17484.0162 0.0000 0.0000 34173.9979 -149392.7029 298.4500 -183566.7008 -149293.7229 298.6355 -76.2943 -44.8359 555351.5992 11.4723 11.3897 PRESSURE: 443800 -105.195 -13.0921 70.4254 -13.0913 167.613 132.711 70.4266 132.71 -309.264 GPRESSURE: 443800 -76.6446 -65.7816 104.35 21.6453 167.646 119.077 14.1608 90.5841 -230.215 PRESSAVG: 443800 -74.8766 3.17323 -7.61464 3.17326 69.3967 33.9864 -7.61459 33.9863 24.0151 GPRESSAVG: 443800 -74.8717 4.44222 -7.60925 4.8538 68.7782 33.4984 -7.09593 34.4788 23.8337 TIMING: 443800 CPU: 1282.07, 0.0028795/step Wall: 1282.07, 0.0028795/step, 3.64432 hours remaining, 205.652344 MB of memory in use. ENERGY: 443800 745.2336 2138.0622 1923.2874 125.2524 -206314.0835 17616.3742 0.0000 0.0000 34327.6418 -149438.2319 299.7918 -183765.8737 -149349.4842 298.8322 -82.2820 -46.4045 555826.1931 6.1784 5.9134 PRESSURE: 444000 -95.7477 162.416 -116.996 162.415 -10.6388 -99.2566 -116.995 -99.2554 60.9605 GPRESSURE: 444000 -91.8096 135.114 -125.171 165.75 70.9088 20.4267 -139.036 -125.063 66.6609 PRESSAVG: 444000 13.712 24.6696 0.207728 24.6695 0.796433 76.4536 0.207696 76.4536 -14.9876 GPRESSAVG: 444000 13.8497 23.8947 0.137953 26.1699 2.02412 76.367 0.666525 76.2795 -16.3907 TIMING: 444000 CPU: 1282.64, 0.00288582/step Wall: 1282.64, 0.00288582/step, 3.65217 hours remaining, 205.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 444000 710.5987 2078.8829 1965.6985 104.1141 -206303.0418 17684.0831 0.0000 0.0000 34492.8955 -149266.7690 301.2350 -183759.6645 -149174.4044 299.1632 -15.1420 15.2534 554798.6791 -0.1597 -0.1723 PRESSURE: 444200 130.103 -71.5712 139.016 -71.5713 211.569 -13.6043 139.017 -13.6033 278.796 GPRESSURE: 444200 131.04 -103.047 140.235 -107.665 218.59 -101.673 169.591 53.0596 367.778 PRESSAVG: 444200 5.16627 43.4212 -15.6117 43.4212 -20.9536 -40.773 -15.6117 -40.773 16.9168 GPRESSAVG: 444200 4.2362 45.729 -17.2832 40.0843 -21.9248 -41.5553 -12.6514 -40.2758 18.6232 TIMING: 444200 CPU: 1283.22, 0.00288071/step Wall: 1283.22, 0.00288071/step, 3.64554 hours remaining, 205.652344 MB of memory in use. ENERGY: 444200 710.3538 2111.6258 1975.0587 103.9768 -206647.0016 17957.6590 0.0000 0.0000 34580.1532 -149208.1742 301.9971 -183788.3274 -149110.9324 300.2362 206.8226 239.1360 554341.6275 0.3765 0.3116 LDB: ============= START OF LOAD BALANCING ============== 1286.61 LDB: ============== END OF LOAD BALANCING =============== 1286.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1286.61 LDB: ============= START OF LOAD BALANCING ============== 1286.9 LDB: Largest compute 4820 load 0.028098 is 23.8% of average load 0.117863 LDB: Average compute 0.001728 is 1.5% of average load 0.117863 LDB: TIME 1286.9 LOAD: AVG 0.117863 MAX 0.18398 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.598 MB LDB: TIME 1286.9 LOAD: AVG 0.117863 MAX 0.18398 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.84 MB LDB: TIME 1286.9 LOAD: AVG 0.117863 MAX 0.18398 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.84 MB LDB: ============== END OF LOAD BALANCING =============== 1286.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1286.91 PRESSURE: 444400 -86.0914 4.5657 -30.2033 4.56597 170.646 22.1913 -30.2038 22.1925 297.432 GPRESSURE: 444400 -70.4046 -56.2516 -44.7458 22.2571 156.271 12.2317 -34.5983 -29.968 389.133 PRESSAVG: 444400 68.6705 -12.1161 12.8039 -12.1161 -16.4657 30.4399 12.8039 30.4398 -7.31142 GPRESSAVG: 444400 69.415 -14.7913 12.4377 -11.2481 -16.2703 30.689 11.4313 28.6753 -8.40879 TIMING: 444400 CPU: 1283.81, 0.00295571/step Wall: 1283.81, 0.00295571/step, 3.74029 hours remaining, 204.828125 MB of memory in use. ENERGY: 444400 734.3892 2081.1113 1946.2592 117.3717 -206250.1546 17954.3504 0.0000 0.0000 34290.5270 -149126.1457 299.4677 -183416.6728 -149029.5450 299.9444 127.3289 158.3332 556589.4116 14.9645 14.9120 PRESSURE: 444600 95.0704 18.1141 -102.435 18.1147 -248.23 -116.907 -102.436 -116.907 -34.3438 GPRESSURE: 444600 117.344 -41.4505 -88.7967 53.0908 -152.295 -151.347 -142.325 -80.2136 -53.319 PRESSAVG: 444600 -68.5896 60.4968 15.4985 60.4968 -79.9215 23.4608 15.4985 23.4609 90.3713 GPRESSAVG: 444600 -67.8938 61.2501 18.2079 60.5758 -79.0636 22.9788 12.3899 25.085 89.362 TIMING: 444600 CPU: 1284.39, 0.00289935/step Wall: 1284.39, 0.00289935/step, 3.6688 hours remaining, 205.289062 MB of memory in use. ENERGY: 444600 786.5850 2027.7083 1961.5104 118.6401 -206002.9973 17752.0164 0.0000 0.0000 34098.3913 -149258.1459 297.7897 -183356.5372 -149165.2735 299.4003 -62.5012 -29.4233 559060.6977 -19.3799 -19.1985 PRESSURE: 444800 -147.956 67.237 58.6114 67.2362 67.5704 -2.32192 58.6107 -2.32241 -80.8398 GPRESSURE: 444800 -111.211 38.0951 36.5444 65.3107 84.8411 -36.6979 99.9181 12.6532 -32.5653 PRESSAVG: 444800 -21.0807 1.31296 19.968 1.31301 -2.14001 14.4738 19.968 14.4738 29.4874 GPRESSAVG: 444800 -21.5759 2.44283 17.4254 -0.898039 -2.99833 14.7716 22.3497 13.5173 30.7893 TIMING: 444800 CPU: 1284.97, 0.00287435/step Wall: 1284.97, 0.00287435/step, 3.63701 hours remaining, 205.289062 MB of memory in use. ENERGY: 444800 769.5865 2102.7484 1971.6569 101.0717 -206410.9411 17877.8746 0.0000 0.0000 34304.6766 -149283.3264 299.5913 -183588.0030 -149188.2715 299.2437 -53.7418 -19.6451 557446.1548 2.0889 2.0717 PRESSURE: 445000 133.611 125.858 214.533 125.859 -31.7293 50.9031 214.535 50.9047 23.6644 GPRESSURE: 445000 184.012 61.018 251.004 173.786 13.4682 -3.63864 180.571 90.6998 17.2738 PRESSAVG: 445000 -36.8443 64.6584 -3.72002 64.6583 -39.5775 -54.6965 -3.71994 -54.6965 34.4 GPRESSAVG: 445000 -36.6138 62.0452 -0.862248 68.0214 -40.0789 -53.1721 -4.58978 -53.243 34.3762 TIMING: 445000 CPU: 1285.54, 0.00287769/step Wall: 1285.54, 0.00287769/step, 3.64108 hours remaining, 205.289062 MB of memory in use. ENERGY: 445000 733.7751 2156.9081 1942.8757 114.6954 -206564.1052 18033.4024 0.0000 0.0000 34403.6478 -149178.8007 300.4556 -183582.4485 -149085.2377 299.4411 41.8487 71.5847 557701.7266 -14.0073 -14.1055 PRESSURE: 445200 100.557 92.101 -88.3536 92.1019 -90.979 0.762457 -88.3537 0.761585 214.512 GPRESSURE: 445200 202.902 79.6186 -139.718 40.0362 -62.0258 22.8481 -98.7158 -75.781 181.142 PRESSAVG: 445200 14.9152 -34.377 22.7357 -34.377 -18.1214 -77.8526 22.7355 -77.8527 8.6987 GPRESSAVG: 445200 14.8519 -32.6407 22.0896 -34.9 -17.4773 -77.9559 23.2014 -80.1081 8.05969 TIMING: 445200 CPU: 1286.11, 0.00286597/step Wall: 1286.11, 0.00286597/step, 3.62609 hours remaining, 205.289062 MB of memory in use. ENERGY: 445200 740.2382 2154.0524 1953.0743 110.7933 -206249.7831 17860.3728 0.0000 0.0000 34244.1446 -149187.1074 299.0626 -183431.2520 -149086.9194 300.1006 74.6967 107.3396 556434.5214 1.8308 1.8114 PRESSURE: 445400 -149.479 143.57 -107.938 143.571 79.472 -75.7694 -107.938 -75.7694 -124.902 GPRESSURE: 445400 -129.985 227.919 17.6296 -2.02522 61.6317 -112.098 -156.347 -11.8288 -40.5807 PRESSAVG: 445400 21.9631 8.0509 -20.632 8.05084 -60.2304 -53.7096 -20.632 -53.7096 -9.63585 GPRESSAVG: 445400 21.0554 6.94483 -21.1467 9.14661 -60.0639 -56.136 -21.1997 -53.9073 -8.70776 TIMING: 445400 CPU: 1286.69, 0.00286583/step Wall: 1286.69, 0.00286583/step, 3.62575 hours remaining, 205.289062 MB of memory in use. ENERGY: 445400 751.2519 2080.0003 1961.1043 117.7320 -206265.8944 17875.5219 0.0000 0.0000 34201.7447 -149278.5393 298.6923 -183480.2839 -149179.6013 298.8838 -64.9696 -36.3115 558827.3006 -15.9677 -15.9054 PRESSURE: 445600 -231.182 237.566 -102.663 237.565 -182.524 -84.102 -102.663 -84.0993 -141.317 GPRESSURE: 445600 -194.995 119.408 -78.2734 323.931 -162.765 -127.923 -140.63 -82.326 -90.9122 PRESSAVG: 445600 105.766 58.32 -6.71542 58.3201 -49.5984 -39.0933 -6.71532 -39.0931 -3.90558 GPRESSAVG: 445600 106.803 57.8952 -6.5701 58.2523 -50.599 -36.9454 -7.31703 -39.4037 -3.48334 TIMING: 445600 CPU: 1287.26, 0.00288221/step Wall: 1287.26, 0.00288221/step, 3.64631 hours remaining, 205.289062 MB of memory in use. ENERGY: 445600 773.8261 2009.1274 1945.7786 108.4172 -205983.8033 17663.2809 0.0000 0.0000 34282.8484 -149200.5248 299.4006 -183483.3732 -149108.4175 299.0803 -185.0078 -149.5574 559351.7013 17.4208 17.5735 PRESSURE: 445800 29.1616 106.085 26.852 106.084 55.8102 46.1708 26.8519 46.1709 -158.176 GPRESSURE: 445800 51.7421 108.888 -64.751 76.9758 99.4805 61.8598 64.0976 87.2338 -128.771 PRESSAVG: 445800 -25.5361 47.2033 3.97157 47.2031 14.604 -0.815218 3.97156 -0.815329 -2.57131 GPRESSAVG: 445800 -26.9292 51.4935 1.92884 44.1309 15.016 -1.43912 8.87857 -2.37731 -1.86679 TIMING: 445800 CPU: 1287.84, 0.00289614/step Wall: 1287.84, 0.00289614/step, 3.66378 hours remaining, 205.289062 MB of memory in use. ENERGY: 445800 748.3524 2091.0762 1935.7963 108.8035 -206054.2224 17821.6974 0.0000 0.0000 34327.3474 -149021.1492 299.7893 -183348.4965 -148927.8014 299.4525 -24.4014 7.4839 559150.8393 -4.5011 -4.5933 PRESSURE: 446000 -155.711 -99.3414 190.945 -99.3422 131.372 -46.3117 190.945 -46.3119 -9.02603 GPRESSURE: 446000 -90.6609 -147.407 340.056 -148.448 125.209 -8.63479 78.9993 7.24092 11.2566 PRESSAVG: 446000 -9.09537 -112.475 9.04759 -112.475 9.20871 48.8597 9.04773 48.8597 29.197 GPRESSAVG: 446000 -7.73058 -116.462 10.8087 -110.161 9.90297 51.6421 2.94997 49.2583 27.0533 TIMING: 446000 CPU: 1288.42, 0.00287043/step Wall: 1288.42, 0.00287043/step, 3.63109 hours remaining, 205.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 446000 726.2458 2076.0015 1958.0937 108.0815 -206082.5086 17819.8227 0.0000 0.0000 34343.4697 -149050.7938 299.9301 -183394.2635 -148949.5751 299.4817 -11.1219 15.2683 559244.7697 9.7701 9.7419 PRESSURE: 446200 -78.0719 33.9158 -76.1061 33.9166 -69.1778 -92.2634 -76.1054 -92.2628 -127.221 GPRESSURE: 446200 -41.1039 140.369 -38.793 -36.374 -24.5751 -22.8674 -108.267 -85.568 -107.417 PRESSAVG: 446200 -22.3015 49.3362 -22.1347 49.3361 57.9146 -27.681 -22.1347 -27.6809 4.48544 GPRESSAVG: 446200 -22.4309 51.9493 -23.8095 47.6219 57.8397 -30.9999 -18.2534 -26.9247 4.92048 TIMING: 446200 CPU: 1288.99, 0.00287361/step Wall: 1288.99, 0.00287361/step, 3.63496 hours remaining, 205.289062 MB of memory in use. ENERGY: 446200 752.3655 2071.4877 1950.6393 118.2851 -205729.7100 17595.4077 0.0000 0.0000 34305.4380 -148936.0867 299.5979 -183241.5247 -148837.3488 299.9774 -91.4902 -57.6986 559048.9376 13.3662 13.4431 PRESSURE: 446400 -69.6947 -6.78336 63.2488 -6.78391 -59.0931 -28.8179 63.2478 -28.8166 117.48 GPRESSURE: 446400 -29.9349 -15.99 25.763 4.545 -38.2916 27.8889 -18.5716 -10.0105 138.381 PRESSAVG: 446400 -72.1151 7.23396 13.8196 7.23389 25.5486 -0.518796 13.8196 -0.518726 -39.361 GPRESSAVG: 446400 -71.6187 4.64728 14.0122 8.53243 26.4875 0.720123 12.5737 -1.05776 -40.1765 TIMING: 446400 CPU: 1289.57, 0.00289138/step Wall: 1289.57, 0.00289138/step, 3.65728 hours remaining, 205.289062 MB of memory in use. ENERGY: 446400 737.7074 2122.9135 1941.8351 116.8991 -206095.5041 17821.9813 0.0000 0.0000 34280.8881 -149073.2796 299.3835 -183354.1676 -148986.4727 299.2685 -3.7691 23.3850 558025.3050 -28.6425 -28.4359 PRESSURE: 446600 -114.428 -205.456 -83.1924 -205.456 -115.413 -182.082 -83.1926 -182.083 -135.589 GPRESSURE: 446600 -77.6835 -172.912 -67.7397 -246.852 -100.876 -99.1625 -52.3356 -227.58 -95.0191 PRESSAVG: 446600 -65.5072 -16.7516 18.0332 -16.7516 -12.2523 -16.765 18.0331 -16.7651 73.3707 GPRESSAVG: 446600 -66.6044 -15.1988 17.0107 -17.8625 -12.8865 -17.8114 18.2928 -14.9526 74.6543 TIMING: 446600 CPU: 1290.15, 0.00290327/step Wall: 1290.15, 0.00290327/step, 3.67215 hours remaining, 205.289062 MB of memory in use. ENERGY: 446600 751.5729 2037.3332 1934.7237 121.3079 -206197.0794 17822.1804 0.0000 0.0000 34320.5284 -149209.4330 299.7297 -183529.9614 -149115.6959 299.2087 -121.8100 -91.1929 558010.8868 -1.4629 -1.6122 PRESSURE: 446800 -39.7817 2.05336 60.5637 2.05235 -136.087 26.7198 60.5643 26.7207 -162.251 GPRESSURE: 446800 35.5572 42.6453 -39.8753 -4.66579 -106.369 176.062 79.7385 -92.3066 -169.478 PRESSAVG: 446800 -14.2076 -26.9368 26.4949 -26.9369 1.44421 49.0768 26.495 49.0768 -5.54822 GPRESSAVG: 446800 -13.4803 -26.683 27.0552 -27.4343 0.313266 50.2338 27.6016 47.4087 -4.93803 TIMING: 446800 CPU: 1290.73, 0.00291028/step Wall: 1290.73, 0.00291028/step, 3.68086 hours remaining, 205.289062 MB of memory in use. ENERGY: 446800 753.6702 2067.3880 1935.6502 114.9990 -206367.8042 17783.3591 0.0000 0.0000 34487.2247 -149225.5130 301.1855 -183712.7377 -149140.0326 299.6211 -112.7067 -80.0965 557616.0625 -6.1039 -6.0350 PRESSURE: 447000 -192.119 109.204 74.4837 109.203 185.508 64.8322 74.4839 64.8314 16.799 GPRESSURE: 447000 -193.916 157.848 88.7911 52.2574 246.042 47.86 38.3717 16.3333 60.4369 PRESSAVG: 447000 -55.9818 -66.7329 17.7115 -66.7328 21.7744 30.3277 17.7115 30.3277 23.099 GPRESSAVG: 447000 -55.4791 -67.1354 19.0451 -66.2213 21.1117 29.2322 16.0411 32.3579 23.1512 TIMING: 447000 CPU: 1291.31, 0.00288556/step Wall: 1291.31, 0.00288556/step, 3.64943 hours remaining, 205.289062 MB of memory in use. ENERGY: 447000 733.7954 2067.8767 1951.4572 108.9609 -206345.5366 17904.1825 0.0000 0.0000 34268.0115 -149311.2524 299.2711 -183579.2640 -149206.2837 299.2919 3.3958 37.5210 557465.7141 -3.7028 -3.7387 PRESSURE: 447200 -16.8412 -23.6757 -187.511 -23.6745 121.521 -279.461 -187.511 -279.462 136.246 GPRESSURE: 447200 63.4665 -60.2413 -186.709 -48.8674 169.292 -201.297 -143.12 -254.198 109.138 PRESSAVG: 447200 26.7005 -47.6009 64.8365 -47.601 54.1684 49.4282 64.8365 49.4282 -14.8056 GPRESSAVG: 447200 25.3408 -48.0568 64.2405 -46.7943 54.381 49.2828 64.6433 50.4395 -13.5719 TIMING: 447200 CPU: 1291.89, 0.00288138/step Wall: 1291.89, 0.00288138/step, 3.64398 hours remaining, 205.289062 MB of memory in use. ENERGY: 447200 752.8533 2035.1567 1991.6669 117.3532 -206081.8208 17907.8750 0.0000 0.0000 34227.0009 -149049.9150 298.9129 -183276.9159 -148950.2054 299.7110 80.3085 113.9656 557451.1946 22.0211 22.0500 PRESSURE: 447400 -115.753 64.7439 -79.7577 64.7422 41.742 -64.7019 -79.7567 -64.7033 97.2743 GPRESSURE: 447400 -104.27 128.307 -49.4167 14.6926 49.7029 -106.979 -133.548 -24.1937 163.863 PRESSAVG: 447400 33.3132 -3.1233 -20.4626 -3.12329 28.7746 -61.0978 -20.4625 -61.0978 -56.8136 GPRESSAVG: 447400 34.045 -3.008 -19.0571 -2.58581 28.8456 -59.8683 -21.3415 -64.5619 -57.7638 TIMING: 447400 CPU: 1292.46, 0.00287742/step Wall: 1292.46, 0.00287742/step, 3.63882 hours remaining, 205.289062 MB of memory in use. ENERGY: 447400 724.3595 2088.9728 1955.5229 124.3576 -205979.1540 17778.1890 0.0000 0.0000 34340.1091 -148967.6431 299.9007 -183307.7522 -148864.7311 300.0026 7.7543 36.4320 557835.1341 1.7580 1.7089 PRESSURE: 447600 199.868 -3.80863 -116.234 -3.80943 -47.3874 45.7756 -116.234 45.7759 100.912 GPRESSURE: 447600 251.127 -48.3415 -30.8469 -11.4379 22.4237 -50.5711 -118.842 107.146 67.1318 PRESSAVG: 447600 -24.1653 -24.3169 -26.1764 -24.3169 27.2092 -35.1452 -26.1765 -35.1453 -12.002 GPRESSAVG: 447600 -23.1739 -24.206 -25.6595 -25.3495 27.4018 -37.7504 -26.6413 -31.3821 -13.3987 TIMING: 447600 CPU: 1293.04, 0.00289113/step Wall: 1293.04, 0.00289113/step, 3.656 hours remaining, 205.289062 MB of memory in use. ENERGY: 447600 781.9085 2099.1692 1941.1327 103.6405 -206205.3345 18016.4839 0.0000 0.0000 34227.0972 -149035.9025 298.9138 -183262.9997 -148945.4024 300.0282 84.4645 113.5610 557346.6948 -2.9861 -3.0569 PRESSURE: 447800 150.356 57.6997 -111.236 57.701 126.023 -10.0634 -111.236 -10.0633 74.1847 GPRESSURE: 447800 165.518 91.1457 -108.031 21.4533 155.781 -36.9167 -111.798 -2.70743 125.992 PRESSAVG: 447800 6.7871 26.0964 -36.0706 26.0964 15.9836 21.2762 -36.0706 21.2761 28.5522 GPRESSAVG: 447800 4.81927 26.718 -38.4066 26.8326 16.4252 21.6627 -33.779 20.2142 30.1359 TIMING: 447800 CPU: 1293.62, 0.00288213/step Wall: 1293.62, 0.00288213/step, 3.64445 hours remaining, 205.289062 MB of memory in use. ENERGY: 447800 742.4447 2031.8445 1943.6615 120.0095 -206093.8062 17876.5525 0.0000 0.0000 34310.7646 -149068.5289 299.6444 -183379.2934 -148966.9286 300.6173 116.8546 149.0973 556456.8979 17.1076 17.1268 PRESSURE: 448000 69.8325 111.334 -83.0578 111.334 -138.004 112.808 -83.0584 112.809 184.73 GPRESSURE: 448000 107.147 59.9043 -66.3537 87.4985 -83.7176 199.896 -119.271 136.283 186.621 PRESSAVG: 448000 21.1875 2.88165 18.6173 2.88149 -24.4093 -9.45314 18.6173 -9.45315 -6.03945 GPRESSAVG: 448000 22.0858 3.2877 19.5772 2.19264 -22.8192 -8.29695 16.2853 -9.9925 -8.24925 TIMING: 448000 CPU: 1294.19, 0.00288152/step Wall: 1294.19, 0.00288152/step, 3.64352 hours remaining, 205.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 448000 698.2005 2084.8481 1937.0639 115.9211 -206200.0960 17766.5091 0.0000 0.0000 34484.3356 -149113.2178 301.1603 -183597.5534 -149017.1461 299.6425 38.8529 70.0166 556986.6884 -3.0871 -2.9942 PRESSURE: 448200 16.6879 63.9443 109.969 63.9453 -89.4518 71.8175 109.969 71.819 37.4287 GPRESSURE: 448200 38.8623 102.376 127.096 25.6466 -34.0449 76.8419 75.9359 112.556 69.4407 PRESSAVG: 448200 22.7236 35.6509 11.6684 35.651 12.8303 -0.486396 11.6685 -0.486444 -48.3164 GPRESSAVG: 448200 23.3712 34.7882 12.3428 35.6248 11.094 -0.447986 11.183 -0.967558 -47.1681 TIMING: 448200 CPU: 1294.77, 0.00289941/step Wall: 1294.77, 0.00289941/step, 3.66599 hours remaining, 205.289062 MB of memory in use. ENERGY: 448200 756.8067 2100.5682 1953.8592 112.5972 -206170.6614 17777.3521 0.0000 0.0000 34384.7160 -149084.7620 300.2903 -183469.4780 -148988.5448 300.1345 -11.7784 24.7527 556278.2705 -4.2542 -4.2343 LDB: ============= START OF LOAD BALANCING ============== 1298.16 LDB: ============== END OF LOAD BALANCING =============== 1298.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1298.16 LDB: ============= START OF LOAD BALANCING ============== 1298.44 LDB: Largest compute 4822 load 0.025972 is 22.0% of average load 0.117904 LDB: Average compute 0.001722 is 1.5% of average load 0.117904 LDB: TIME 1298.45 LOAD: AVG 0.117904 MAX 0.182487 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.816 MB LDB: TIME 1298.45 LOAD: AVG 0.117904 MAX 0.182487 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: TIME 1298.45 LOAD: AVG 0.117904 MAX 0.182487 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1298.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1298.45 PRESSURE: 448400 -233.235 -20.3786 -58.6497 -20.3791 -349.028 8.72366 -58.6491 8.72338 -252.879 GPRESSURE: 448400 -169.017 -28.7401 -178.831 -9.35346 -306.256 122.381 23.0603 -7.4948 -262.452 PRESSAVG: 448400 34.6985 -31.688 0.352443 -31.688 3.60024 23.4063 0.352347 23.4063 -29.8112 GPRESSAVG: 448400 35.4444 -31.6581 0.471362 -31.0181 3.78061 21.721 0.597162 26.0468 -30.8681 TIMING: 448400 CPU: 1295.36, 0.00292175/step Wall: 1295.36, 0.00292175/step, 3.69406 hours remaining, 205.871094 MB of memory in use. ENERGY: 448400 749.7742 2093.5062 1958.4733 111.0654 -205974.1405 17455.2091 0.0000 0.0000 34568.5556 -149037.5566 301.8958 -183606.1122 -148943.5386 299.6957 -278.3805 -245.9084 558349.6166 2.8292 2.7857 PRESSURE: 448600 -210.648 -56.5298 59.8224 -56.5301 277.447 -113.847 59.8208 -113.849 37.8424 GPRESSURE: 448600 -149.423 -49.0727 127.168 -81.9983 275.773 -225.583 12.4796 -19.9844 71.5994 PRESSAVG: 448600 8.98751 -27.4092 37.9403 -27.4091 -22.5406 -1.93169 37.9403 -1.93176 -41.0891 GPRESSAVG: 448600 7.52981 -27.6928 37.0148 -28.1711 -22.9304 -1.74746 39.1377 -3.34511 -39.0782 TIMING: 448600 CPU: 1295.93, 0.00288453/step Wall: 1295.93, 0.00288453/step, 3.64684 hours remaining, 205.871094 MB of memory in use. ENERGY: 448600 730.3748 2072.5673 1930.8553 113.0033 -205796.7007 17581.3361 0.0000 0.0000 34264.3982 -149104.1657 299.2395 -183368.5639 -149005.5222 300.0466 34.8802 65.9834 558052.0755 -18.2141 -18.1596 PRESSURE: 448800 27.0155 31.8881 44.6695 31.8887 267.501 -10.9449 44.6696 -10.945 -118.78 GPRESSURE: 448800 101.127 -32.2898 75.2033 0.525676 260.44 -35.0676 77.8643 57.0113 -80.7531 PRESSAVG: 448800 -59.8066 23.067 12.6943 23.0669 34.9308 4.72216 12.6943 4.72214 16.4898 GPRESSAVG: 448800 -60.6283 20.9911 14.7327 23.7363 35.1463 5.35839 10.9098 5.46734 16.5515 TIMING: 448800 CPU: 1296.51, 0.00289553/step Wall: 1296.51, 0.00289553/step, 3.66059 hours remaining, 205.871094 MB of memory in use. ENERGY: 448800 709.4041 2104.5198 1945.3514 118.0726 -206690.8491 18226.9408 0.0000 0.0000 34350.4024 -149236.1581 299.9906 -183586.5604 -149142.7304 298.9026 58.5790 93.6044 558232.0843 -2.7953 -2.9768 PRESSURE: 449000 -215.327 -103.256 -83.1698 -103.256 -55.7918 -59.1149 -83.1709 -59.1137 65.521 GPRESSURE: 449000 -145.244 -150.563 -66.4815 -90.6858 -82.2139 -16.2138 -36.7541 -62.1359 127.892 PRESSAVG: 449000 -74.6562 -44.303 33.7162 -44.303 13.0813 -1.13068 33.7161 -1.13084 35.4068 GPRESSAVG: 449000 -72.9478 -45.0911 32.473 -42.1715 12.4073 -2.43109 34.1761 -2.5143 34.2916 TIMING: 449000 CPU: 1297.09, 0.00290672/step Wall: 1297.09, 0.00290672/step, 3.67457 hours remaining, 205.871094 MB of memory in use. ENERGY: 449000 737.3661 2069.1853 1940.1911 107.5681 -205999.2777 17734.2796 0.0000 0.0000 34234.9567 -149175.7308 298.9824 -183410.6875 -149075.7797 298.5988 -68.5326 -33.1886 558193.1454 -8.7227 -8.7496 PRESSURE: 449200 -175.592 127.573 -26.2495 127.573 -272.259 -51.6334 -26.2503 -51.6343 -271.669 GPRESSURE: 449200 -224.892 122.552 67.5339 143.735 -164.698 -89.9368 -121.91 -22.3988 -221.073 PRESSAVG: 449200 15.1425 -20.6044 -27.0516 -20.6044 -51.6438 19.7083 -27.0517 19.7082 25.2653 GPRESSAVG: 449200 14.46 -19.3159 -28.6795 -22.9242 -52.8451 21.036 -26.7782 20.9387 27.0138 TIMING: 449200 CPU: 1297.67, 0.00288738/step Wall: 1297.67, 0.00288738/step, 3.64997 hours remaining, 205.871094 MB of memory in use. ENERGY: 449200 775.4123 2054.2180 1945.1132 115.8443 -205959.2412 17492.7791 0.0000 0.0000 34440.3657 -149135.5088 300.7763 -183575.8745 -149038.5409 299.1582 -239.8400 -203.5544 556904.3456 -3.7454 -3.7904 PRESSURE: 449400 420.794 4.98759 225.797 4.98738 315.705 64.7949 225.797 64.7958 467.369 GPRESSURE: 449400 452.063 -6.90609 294.873 -40.5723 337.474 -50.0541 150.848 18.8848 509.608 PRESSAVG: 449400 46.4534 40.921 35.9815 40.9211 -3.77781 20.2662 35.9815 20.2663 -14.6355 GPRESSAVG: 449400 45.1934 40.3807 38.6104 42.7285 -0.961844 20.8146 34.9893 18.513 -15.9063 TIMING: 449400 CPU: 1298.25, 0.00289113/step Wall: 1298.25, 0.00289113/step, 3.65455 hours remaining, 205.871094 MB of memory in use. ENERGY: 449400 706.4013 2046.6658 1950.9616 115.5272 -206457.0017 18182.9396 0.0000 0.0000 34281.8712 -149172.6350 299.3921 -183454.5062 -149075.2116 299.1026 401.2894 433.0483 555397.6925 9.3467 9.4418 PRESSURE: 449600 -176.208 132.871 60.9279 132.87 -189.01 -25.1347 60.9275 -25.1357 -116.584 GPRESSURE: 449600 -75.2774 232.624 61.1846 112.223 -164.496 -19.1995 77.7282 -48.4389 -153.147 PRESSAVG: 449600 -7.57739 33.6144 -44.9414 33.6144 98.9039 1.52815 -44.9412 1.52813 -68.8586 GPRESSAVG: 449600 -6.33663 34.2117 -45.6663 31.9237 98.3037 0.206699 -43.5159 3.34636 -70.1089 TIMING: 449600 CPU: 1298.83, 0.00288293/step Wall: 1298.83, 0.00288293/step, 3.64402 hours remaining, 205.871094 MB of memory in use. ENERGY: 449600 693.6829 2050.9119 1973.6173 114.2702 -205583.5705 17294.1689 0.0000 0.0000 34093.7322 -149363.1872 297.7490 -183456.9193 -149263.2969 298.6278 -160.6006 -130.9732 558081.6590 7.4893 7.2861 PRESSURE: 449800 -242.521 -47.3524 77.4053 -47.3522 85.7837 63.1675 77.4056 63.1684 176.245 GPRESSURE: 449800 -162.994 -39.5447 65.9418 -33.4903 136.548 77.7348 -0.710971 3.00814 140.126 PRESSAVG: 449800 -20.1622 4.29044 25.5288 4.29057 23.1888 41.1674 25.5288 41.1674 14.681 GPRESSAVG: 449800 -20.3128 4.37414 24.744 4.79997 22.3957 42.9557 25.169 39.3915 15.3909 TIMING: 449800 CPU: 1299.41, 0.00289089/step Wall: 1299.41, 0.00289089/step, 3.65392 hours remaining, 205.871094 MB of memory in use. ENERGY: 449800 755.5209 2118.4840 1928.8002 116.5495 -206247.1055 17772.5059 0.0000 0.0000 34242.8152 -149312.4300 299.0510 -183555.2452 -149207.9144 298.7139 6.5023 37.8933 557612.3159 5.9025 5.8246 PRESSURE: 450000 -73.4342 -0.916225 133.04 -0.916788 81.2563 -113.439 133.04 -113.439 284.957 GPRESSURE: 450000 -71.6605 49.1184 142.899 -82.1364 130.921 -126.186 233.186 -120.679 320.586 PRESSAVG: 450000 -14.9159 -17.2645 -24.9472 -17.2644 -21.1771 55.6081 -24.9473 55.608 31.4609 GPRESSAVG: 450000 -15.4228 -17.5276 -24.9118 -16.2397 -20.5272 54.9179 -24.1667 55.7932 31.136 TIMING: 450000 CPU: 1299.98, 0.00288152/step Wall: 1299.98, 0.00288152/step, 3.64192 hours remaining, 205.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 450000 728.9877 2065.0232 1936.9722 105.9856 -206110.5201 17686.2633 0.0000 0.0000 34159.3726 -149427.9156 298.3223 -183587.2882 -149329.9871 298.3716 97.5929 126.6154 557179.0904 -1.5440 -1.6047 PRESSURE: 450200 -28.121 67.002 -109.086 67.0023 -101.072 88.6067 -109.085 88.6059 -248.209 GPRESSURE: 450200 -1.87389 113.73 -77.6613 -7.41317 -72.4476 30.6145 -143.114 0.463528 -196.261 PRESSAVG: 450200 9.91046 37.9256 52.1903 37.9255 5.58049 11.9701 52.1904 11.9701 -23.1846 GPRESSAVG: 450200 10.2916 38.683 52.8457 36.9964 6.39033 11.1044 51.2801 12.8383 -23.801 TIMING: 450200 CPU: 1300.56, 0.00287968/step Wall: 1300.56, 0.00287968/step, 3.63944 hours remaining, 205.871094 MB of memory in use. ENERGY: 450200 759.1032 2041.5007 1955.0113 111.7508 -206159.8275 17734.3830 0.0000 0.0000 34121.2218 -149436.8566 297.9891 -183558.0785 -149345.3172 298.3180 -125.8006 -90.1941 556532.3807 -2.5645 -2.3730 PRESSURE: 450400 40.213 16.4587 -96.3619 16.4593 -90.4796 146.946 -96.3636 146.946 2.73148 GPRESSURE: 450400 -21.5395 -19.3404 -33.5668 118.558 7.90662 215.279 -42.9854 188.877 52.9516 PRESSAVG: 450400 -10.7476 -6.91229 -20.4831 -6.9122 7.11485 40.7409 -20.4831 40.7408 3.044 GPRESSAVG: 450400 -9.9706 -7.93555 -22.2729 -6.56486 5.84675 42.3622 -20.5913 39.9875 3.98708 TIMING: 450400 CPU: 1301.14, 0.0028903/step Wall: 1301.14, 0.0028903/step, 3.6527 hours remaining, 205.871094 MB of memory in use. ENERGY: 450400 768.8787 2083.4200 1980.1650 132.4941 -206357.9345 17795.3223 0.0000 0.0000 33987.5842 -149610.0702 296.8220 -183597.6543 -149512.3052 298.5452 -15.8450 13.1062 555579.3565 -0.1963 -0.0456 PRESSURE: 450600 176.581 96.1723 -24.7866 96.1722 5.57526 267.602 -24.7868 267.601 -206.279 GPRESSURE: 450600 184.956 67.3211 -61.1161 116.512 30.6447 243.668 -18.9992 276.065 -157.954 PRESSAVG: 450600 19.4225 48.0655 9.55295 48.0655 35.9213 9.03125 9.55298 9.03128 -50.8354 GPRESSAVG: 450600 18.6406 48.6645 10.4672 46.4009 36.6824 7.67365 9.00353 9.95443 -51.0411 TIMING: 450600 CPU: 1301.71, 0.00287324/step Wall: 1301.71, 0.00287324/step, 3.63097 hours remaining, 205.871094 MB of memory in use. ENERGY: 450600 739.1627 2014.1324 1959.3397 115.1478 -206101.6451 17590.7144 0.0000 0.0000 34048.8034 -149634.3448 297.3567 -183683.1482 -149535.5566 298.2194 -8.0410 19.2154 556077.0604 1.5028 1.4273 PRESSURE: 450800 280.249 -30.8007 7.8329 -30.8005 -61.9965 58.3809 7.83329 58.3813 280.212 GPRESSURE: 450800 371.099 -25.4809 14.2447 46.9651 -77.254 99.671 -9.18179 37.6402 288.393 PRESSAVG: 450800 13.2863 9.1915 -15.0751 9.19148 31.6847 60.2145 -15.0751 60.2144 -12.8307 GPRESSAVG: 450800 15.0238 7.75204 -15.9749 11.0635 29.267 62.2025 -16.2694 60.5126 -11.8847 TIMING: 450800 CPU: 1302.29, 0.00287592/step Wall: 1302.29, 0.00287592/step, 3.63421 hours remaining, 205.871094 MB of memory in use. ENERGY: 450800 756.7026 2087.6986 1962.5710 116.3917 -206974.9497 18168.1687 0.0000 0.0000 34299.7811 -149583.6360 299.5485 -183883.4171 -149486.8273 298.4368 166.1547 194.0793 555706.9297 10.7134 10.8021 PRESSURE: 451000 -56.7744 29.7489 11.4747 29.7493 -137.136 -15.2916 11.4769 -15.2914 57.5593 GPRESSURE: 451000 -26.0195 -16.9521 -78.089 -3.89544 -104.627 -17.1399 159.122 -37.7792 81.9915 PRESSAVG: 451000 40.7186 18.8991 53.1463 18.8992 -13.8836 -4.09139 53.1463 -4.09145 -13.4952 GPRESSAVG: 451000 39.1002 19.5543 55.3779 16.5409 -11.7028 -4.56894 53.7996 -6.82965 -14.2179 TIMING: 451000 CPU: 1302.86, 0.00289756/step Wall: 1302.86, 0.00289756/step, 3.66138 hours remaining, 205.871094 MB of memory in use. ENERGY: 451000 750.6293 2056.7979 1983.0275 108.5971 -206607.2449 17756.2451 0.0000 0.0000 34311.5162 -149640.4318 299.6510 -183951.9480 -149544.5836 298.5020 -45.4505 -16.2185 557194.6064 4.4466 4.3932 PRESSURE: 451200 -234.016 -2.41587 12.2524 -2.41586 45.1843 -72.1909 12.2518 -72.1913 -113.321 GPRESSURE: 451200 -226.121 12.9925 64.0119 -32.6378 66.0932 -80.9033 -59.1532 -47.6875 -58.0493 PRESSAVG: 451200 18.7696 4.18295 18.9421 4.18286 -17.0183 1.87254 18.9421 1.87232 7.78473 GPRESSAVG: 451200 17.5555 4.71516 17.2113 5.16261 -16.6957 0.379605 21.3781 4.48496 8.54355 TIMING: 451200 CPU: 1303.44, 0.00288213/step Wall: 1303.44, 0.00288213/step, 3.64173 hours remaining, 205.871094 MB of memory in use. ENERGY: 451200 759.1318 2082.6280 1973.0567 111.8685 -206315.1732 17718.9733 0.0000 0.0000 34132.7024 -149536.8125 298.0894 -183669.5149 -149445.9393 298.1193 -100.7176 -72.6922 558581.8526 3.1787 3.1345 PRESSURE: 451400 111.723 71.0138 79.4686 71.0146 146.226 -180.031 79.4684 -180.032 -22.0752 GPRESSURE: 451400 137.641 41.8475 74.1843 30.1282 147.528 -202.949 52.8501 -104.095 26.3399 PRESSAVG: 451400 -69.712 -27.4339 9.33761 -27.4339 -17.5534 34.82 9.33766 34.8199 118.587 GPRESSAVG: 451400 -69.4388 -25.4541 10.9696 -28.1352 -18.4253 34.636 7.47393 34.5146 119.389 TIMING: 451400 CPU: 1304.02, 0.00287129/step Wall: 1304.02, 0.00287129/step, 3.62787 hours remaining, 205.871094 MB of memory in use. ENERGY: 451400 737.1457 2083.8123 1983.7805 114.3037 -206356.0858 17911.5805 0.0000 0.0000 34144.0793 -149381.3839 298.1887 -183525.4632 -149290.6081 298.2784 78.6246 103.8362 556628.0703 10.4406 10.5082 PRESSURE: 451600 -6.31813 -41.2225 -277.522 -41.2231 213.979 213.198 -277.521 213.198 386.971 GPRESSURE: 451600 65.3446 -136.295 -283.939 60.3631 239.385 129.324 -338.275 234.619 394.172 PRESSAVG: 451600 -43.8136 -15.6192 -11.5797 -15.6192 -38.2318 41.6642 -11.5797 41.6641 87.9659 GPRESSAVG: 451600 -43.1458 -20.7698 -12.3372 -14.3725 -38.5413 41.8367 -9.42214 42.8232 87.3108 TIMING: 451600 CPU: 1304.59, 0.00285759/step Wall: 1304.59, 0.00285759/step, 3.61041 hours remaining, 205.871094 MB of memory in use. ENERGY: 451600 735.1831 2108.7860 1975.6958 112.1078 -206400.3754 18013.2886 0.0000 0.0000 34416.6103 -149038.7039 300.5688 -183455.3141 -148943.1387 299.2646 198.2106 232.9672 556857.8185 1.9735 1.8745 PRESSURE: 451800 329.524 -22.7447 -23.9643 -22.7456 -62.3138 -191.201 -23.9636 -191.199 -60.4499 GPRESSURE: 451800 322.369 -21.9009 -111.178 -83.9658 23.9873 -203.365 14.8712 -203.266 -28.8287 PRESSAVG: 451800 -68.509 73.9721 -3.67312 73.972 12.0228 -15.9343 -3.67309 -15.9344 32.7424 GPRESSAVG: 451800 -69.4409 74.9009 -3.35055 74.5819 13.2931 -16.9004 -6.16776 -15.1945 32.6179 TIMING: 451800 CPU: 1305.16, 0.00286103/step Wall: 1305.16, 0.00286102/step, 3.61459 hours remaining, 205.871094 MB of memory in use. ENERGY: 451800 742.2102 2153.9575 1965.3824 109.0015 -206432.0148 17971.0392 0.0000 0.0000 34247.9461 -149242.4779 299.0958 -183490.4240 -149143.8438 299.1331 68.9202 105.8424 556431.2607 -7.9146 -7.8433 PRESSURE: 452000 -24.5389 26.0262 -174.419 26.0281 -156.424 -149.668 -174.42 -149.668 -101.369 GPRESSURE: 452000 101.178 2.14571 -146.979 -71.8367 -211.613 -195.442 -120.95 -143.04 -73.0908 PRESSAVG: 452000 -41.6663 34.7055 31.1103 34.7055 22.5916 -12.0529 31.1102 -12.0529 -12.8239 GPRESSAVG: 452000 -40.6337 37.8138 32.6909 31.9947 21.965 -10.9445 30.8616 -15.2389 -13.3079 TIMING: 452000 CPU: 1305.74, 0.00288063/step Wall: 1305.74, 0.00288063/step, 3.6392 hours remaining, 205.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 452000 780.8424 2123.0294 1950.9413 109.7811 -205986.0036 17757.9862 0.0000 0.0000 34235.4976 -149027.9256 298.9871 -183263.4232 -148929.1216 299.9369 -94.1106 -61.1752 558411.1792 -10.6329 -10.6589 PRESSURE: 452200 84.3305 99.8785 -61.093 99.8775 224.824 46.202 -61.0919 46.2024 109.767 GPRESSURE: 452200 54.4858 57.1275 29.8056 211.065 281.314 64.3552 -98.323 -25.112 179.141 PRESSAVG: 452200 21.5189 18.0088 -18.9243 18.0088 1.74463 12.3439 -18.9243 12.3438 -22.3577 GPRESSAVG: 452200 20.1015 17.4755 -20.0615 20.7073 3.46399 12.3211 -15.2342 13.8398 -22.5191 TIMING: 452200 CPU: 1306.31, 0.00288952/step Wall: 1306.31, 0.00288952/step, 3.65026 hours remaining, 205.871094 MB of memory in use. ENERGY: 452200 698.4365 2089.9755 1971.6753 118.6469 -205914.8265 17715.8971 0.0000 0.0000 34208.1279 -149112.0673 298.7481 -183320.1952 -149017.8325 299.3728 139.6405 171.6472 557766.7712 0.3019 0.3488 LDB: ============= START OF LOAD BALANCING ============== 1309.7 LDB: ============== END OF LOAD BALANCING =============== 1309.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1309.7 LDB: ============= START OF LOAD BALANCING ============== 1309.99 LDB: Largest compute 4820 load 0.029050 is 24.7% of average load 0.117810 LDB: Average compute 0.001723 is 1.5% of average load 0.117810 LDB: TIME 1309.99 LOAD: AVG 0.11781 MAX 0.183537 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.992 MB LDB: TIME 1309.99 LOAD: AVG 0.11781 MAX 0.183537 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: TIME 1309.99 LOAD: AVG 0.11781 MAX 0.183537 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: ============== END OF LOAD BALANCING =============== 1310 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1310 PRESSURE: 452400 -402.934 -39.8892 -115.694 -39.8891 -166.895 161.953 -115.694 161.952 22.8932 GPRESSURE: 452400 -382.971 -77.9084 -88.8416 7.44648 -125.7 78.7203 -119.078 147.929 59.0145 PRESSAVG: 452400 -54.0203 -0.0848073 -13.6467 -0.0847527 26.5576 -20.5226 -13.6467 -20.5225 84.5649 GPRESSAVG: 452400 -53.8884 -1.27576 -13.2084 0.583306 25.9287 -20.8525 -14.7034 -20.22 85.271 TIMING: 452400 CPU: 1306.9, 0.00295329/step Wall: 1306.9, 0.00295329/step, 3.73066 hours remaining, 206.242188 MB of memory in use. ENERGY: 452400 743.0983 2073.0130 1952.7804 114.6088 -205758.1909 17533.9995 0.0000 0.0000 34235.1806 -149105.5105 298.9843 -183340.6911 -149011.8776 299.3561 -182.3120 -149.8852 557796.4984 19.0341 19.1038 PRESSURE: 452600 255.45 187.249 -110.135 187.249 31.3912 -100.151 -110.135 -100.152 -74.2926 GPRESSURE: 452600 223.32 228.712 -123.286 162.903 93.8849 -125.626 -84.2307 -72.671 -3.80805 PRESSAVG: 452600 -11.7004 56.858 -28.8712 56.8579 -34.0414 39.8272 -28.8712 39.8271 15.3619 GPRESSAVG: 452600 -11.5675 55.7035 -28.3103 56.8609 -34.1951 42.6951 -29.6196 37.4768 15.2546 TIMING: 452600 CPU: 1307.48, 0.00288889/step Wall: 1307.48, 0.00288888/step, 3.64914 hours remaining, 206.445312 MB of memory in use. ENERGY: 452600 775.3211 2122.2226 1963.5027 98.8472 -206692.7811 18089.8113 0.0000 0.0000 34539.1427 -149103.9335 301.6389 -183643.0763 -149006.8696 299.5018 70.8494 104.4655 557142.9055 -10.1266 -10.1693 PRESSURE: 452800 -58.4322 -125.208 108.824 -125.207 -90.3387 -93.7792 108.824 -93.7797 37.5316 GPRESSURE: 452800 -19.4114 -106.365 163.09 -170.1 -72.8502 -109.039 97.6821 -126.808 71.2514 PRESSAVG: 452800 38.1666 -59.1214 -12.09 -59.1215 35.0404 4.73237 -12.09 4.73247 -5.53185 GPRESSAVG: 452800 39.9163 -60.5327 -11.5865 -59.8826 33.7934 1.38956 -12.7509 7.85443 -5.60828 TIMING: 452800 CPU: 1308.06, 0.00289136/step Wall: 1308.06, 0.00289136/step, 3.6521 hours remaining, 206.445312 MB of memory in use. ENERGY: 452800 729.6186 2073.5560 1943.0407 93.9246 -205880.3694 17619.8657 0.0000 0.0000 34314.0720 -149106.2918 299.6733 -183420.3638 -149006.1486 300.2101 -37.0798 -7.0034 555954.2405 22.5584 22.7005 PRESSURE: 453000 184.306 -95.9226 33.5323 -95.9234 19.9022 -100.789 33.532 -100.79 -207.376 GPRESSURE: 453000 219.44 -120.169 9.6541 -60.9298 56.728 -168.594 -14.0967 -72.6402 -189.505 PRESSAVG: 453000 37.4086 -11.0982 30.858 -11.0983 16.303 -39.3586 30.8579 -39.3588 -18.9021 GPRESSAVG: 453000 36.4579 -9.41703 30.0105 -10.4133 17.6323 -37.8603 31.0831 -40.8593 -19.3663 TIMING: 453000 CPU: 1308.64, 0.00288391/step Wall: 1308.64, 0.00288391/step, 3.64253 hours remaining, 206.500000 MB of memory in use. ENERGY: 453000 764.0367 2098.5684 1946.5083 108.4371 -206126.0772 17802.5154 0.0000 0.0000 34271.9913 -149134.0199 299.3058 -183406.0112 -149039.5089 299.1048 -1.0560 28.8880 557605.2932 11.6031 11.5746 PRESSURE: 453200 -207.064 17.2363 28.654 17.2376 88.271 -23.9065 28.6538 -23.9081 -69.3092 GPRESSURE: 453200 -140.924 45.8175 -121.333 37.2354 128.38 -93.392 49.1174 -8.84884 -70.3383 PRESSAVG: 453200 82.9502 -26.3265 -23.0411 -26.3264 12.9844 25.5689 -23.0411 25.569 -89.9224 GPRESSAVG: 453200 83.3075 -27.5465 -25.8701 -27.0236 13.0969 25.7231 -21.0655 25.5947 -89.5898 TIMING: 453200 CPU: 1309.21, 0.00286254/step Wall: 1309.21, 0.00286254/step, 3.61539 hours remaining, 206.500000 MB of memory in use. ENERGY: 453200 769.6695 2039.7997 1953.4154 119.6114 -205857.4880 17726.4562 0.0000 0.0000 34022.8194 -149225.7164 297.1297 -183248.5358 -149134.8320 299.0276 -62.7009 -27.6274 556606.5281 2.0041 2.2715 PRESSURE: 453400 -50.6737 -24.5488 -194.188 -24.5497 -48.9369 -77.8589 -194.188 -77.8578 236.794 GPRESSURE: 453400 39.453 17.7852 -147.862 -28.6574 -23.1765 -41.6113 -169.45 -57.827 223.149 PRESSAVG: 453400 19.7509 -7.69499 -1.18195 -7.69491 2.33586 -17.7724 -1.182 -17.7724 -3.77078 GPRESSAVG: 453400 18.5391 -8.47615 -0.0538177 -7.64952 2.84528 -16.818 -2.21999 -16.6047 -2.38317 TIMING: 453400 CPU: 1309.78, 0.00287042/step Wall: 1309.78, 0.00287042/step, 3.62518 hours remaining, 206.500000 MB of memory in use. ENERGY: 453400 714.1090 2111.1192 1959.9006 119.6506 -206342.1174 17897.5962 0.0000 0.0000 34368.8100 -149170.9318 300.1514 -183539.7418 -149088.0445 299.0287 45.7279 79.8084 557464.1578 6.1053 6.3337 PRESSURE: 453600 227.439 62.791 -3.07082 62.7903 -302.751 44.6268 -3.07125 44.6269 125.474 GPRESSURE: 453600 270.067 117.555 64.6871 14.1616 -283.434 6.19451 -14.7761 85.8106 148.912 PRESSAVG: 453600 -8.78293 32.441 -17.7523 32.441 15.0054 5.77828 -17.7523 5.77834 -13.2027 GPRESSAVG: 453600 -7.9406 33.4291 -17.035 32.9555 14.7453 4.46971 -19.0758 5.19183 -13.9102 TIMING: 453600 CPU: 1310.36, 0.00286077/step Wall: 1310.36, 0.00286077/step, 3.61283 hours remaining, 206.500000 MB of memory in use. ENERGY: 453600 721.1301 2015.6248 1944.1833 111.0809 -205824.6861 17732.4231 0.0000 0.0000 34212.1165 -149088.1273 298.7829 -183300.2438 -148996.6408 299.6004 16.7207 45.1814 558829.6144 -2.3267 -2.3685 PRESSURE: 453800 325.591 205.073 -48.7193 205.075 222.808 149.627 -48.7195 149.629 68.2464 GPRESSURE: 453800 245.146 161.317 21.0983 187.041 318.898 101.587 -34.9488 147.16 133.795 PRESSAVG: 453800 -12.0391 38.8834 -62.9587 38.8833 35.8862 -15.7291 -62.9588 -15.7292 29.8231 GPRESSAVG: 453800 -12.2101 39.7914 -62.8106 37.021 35.0442 -14.1661 -61.9128 -17.1467 30.7416 TIMING: 453800 CPU: 1310.93, 0.00285964/step Wall: 1310.93, 0.00285964/step, 3.61124 hours remaining, 206.554688 MB of memory in use. ENERGY: 453800 752.5731 2066.3395 1930.7728 115.8098 -206312.5750 18214.8144 0.0000 0.0000 34203.9504 -149028.3151 298.7116 -183232.2655 -148937.5937 299.5458 205.5485 232.6132 557688.7060 17.8901 17.8585 PRESSURE: 454000 215.838 -36.4467 8.47484 -36.4476 276.138 -174.697 8.4743 -174.696 273 GPRESSURE: 454000 276.335 -63.7234 1.45328 -61.2083 345.213 -229.667 -40.6125 -188.76 248.039 PRESSAVG: 454000 -22.918 15.334 -0.194122 15.334 -27.5326 18.7103 -0.19411 18.7104 48.595 GPRESSAVG: 454000 -22.21 16.8741 0.738958 14.5365 -28.4595 17.3264 -0.949208 19.2957 48.2542 TIMING: 454000 CPU: 1311.5, 0.00286579/step Wall: 1311.5, 0.00286579/step, 3.61885 hours remaining, 206.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 454000 761.5729 2117.5494 1953.3245 106.7294 -206317.0501 18158.3307 0.0000 0.0000 34186.2266 -149033.3167 298.5568 -183219.5433 -148937.7337 299.8851 254.9920 289.8627 557048.4835 -0.6185 -0.8051 PRESSURE: 454200 -238.778 15.3424 -61.6531 15.343 -75.0914 91.652 -61.6539 91.6518 -13.8802 GPRESSURE: 454200 -177.026 120.827 34.7495 6.43082 -37.4481 73.6824 -142.635 121.077 -17.6287 PRESSAVG: 454200 -7.40355 33.694 -46.1685 33.6939 8.57745 11.6927 -46.1686 11.6927 6.53683 GPRESSAVG: 454200 -8.10673 31.7245 -45.8809 35.1091 9.76018 12.9503 -46.958 11.6658 6.41369 TIMING: 454200 CPU: 1312.08, 0.00287481/step Wall: 1312.08, 0.00287481/step, 3.63009 hours remaining, 206.554688 MB of memory in use. ENERGY: 454200 738.9915 1994.7118 1973.6805 120.7234 -205819.8828 17634.5546 0.0000 0.0000 34196.2676 -149160.9535 298.6445 -183357.2210 -149068.0939 299.3668 -109.2498 -77.3677 557132.9349 2.5702 2.6890 PRESSURE: 454400 -174.857 78.7344 35.3519 78.734 -116.033 -191.13 35.3513 -191.13 -145.307 GPRESSURE: 454400 -96.8288 128.251 -5.81188 80.4102 -106.344 -164.93 62.9065 -180.71 -130.912 PRESSAVG: 454400 -82.6891 53.9432 -76.8953 53.9432 41.4 -51.754 -76.8954 -51.7539 29.427 GPRESSAVG: 454400 -83.5191 54.0971 -77.5371 53.0483 41.8648 -52.5798 -77.0369 -51.6577 29.0509 TIMING: 454400 CPU: 1312.65, 0.00288412/step Wall: 1312.65, 0.00288412/step, 3.64168 hours remaining, 206.554688 MB of memory in use. ENERGY: 454400 698.5111 2160.7709 1980.0960 110.4902 -205526.3959 17310.4008 0.0000 0.0000 34173.6993 -149092.4277 298.4474 -183266.1270 -148998.4443 299.7404 -145.3989 -111.3616 557590.5192 -3.9540 -4.2011 PRESSURE: 454600 -216.898 51.701 -89.8662 51.7 -155.219 68.94 -89.8647 68.9401 -138.267 GPRESSURE: 454600 -159.016 71.306 -84.8507 64.7498 -138.62 57.9988 -53.7972 104.628 -118.906 PRESSAVG: 454600 -7.40496 70.4612 70.7957 70.4611 -25.6392 -29.1139 70.7957 -29.1139 0.488998 GPRESSAVG: 454600 -6.96436 68.9469 71.8377 72.6423 -27.1729 -27.4024 73.1102 -29.4841 1.23136 TIMING: 454600 CPU: 1313.23, 0.00289315/step Wall: 1313.23, 0.00289315/step, 3.65293 hours remaining, 206.554688 MB of memory in use. ENERGY: 454600 752.2569 2080.8187 1978.4628 117.3436 -205911.2713 17578.1751 0.0000 0.0000 34236.4673 -149167.7469 298.9956 -183404.2142 -149073.7825 298.8867 -170.1280 -138.8472 558673.9750 -10.8517 -10.9686 PRESSURE: 454800 -214.666 11.0812 13.732 11.0819 -31.8357 -211.618 13.7331 -211.618 -157.273 GPRESSURE: 454800 -159.371 7.52148 11.8804 -8.85101 5.23709 -206.158 2.94777 -226.997 -143.787 PRESSAVG: 454800 -9.86611 27.957 33.7633 27.957 45.1409 -16.629 33.7634 -16.6289 -48.9813 GPRESSAVG: 454800 -10.6639 29.9037 33.2606 26.6148 44.8767 -19.1502 32.5762 -13.3529 -48.5523 TIMING: 454800 CPU: 1313.81, 0.0028869/step Wall: 1313.81, 0.0028869/step, 3.64487 hours remaining, 206.554688 MB of memory in use. ENERGY: 454800 757.2064 2093.7130 1952.4011 110.7117 -206010.9307 17676.8966 0.0000 0.0000 34262.3896 -149157.6122 299.2220 -183420.0018 -149067.7782 299.2391 -134.5918 -99.3069 557714.4315 -4.5688 -4.7798 PRESSURE: 455000 -260.083 -143.067 58.6354 -143.067 130.338 -15.6728 58.6354 -15.6726 -133.337 GPRESSURE: 455000 -217.023 -106.989 144.639 -130.104 160.221 -48.4695 -19.6596 -74.7879 -113.101 PRESSAVG: 455000 21.454 -20.0585 -15.3599 -20.0585 31.8813 -18.393 -15.36 -18.393 -17.9768 GPRESSAVG: 455000 21.4716 -20.8311 -16.6311 -18.8162 33.2101 -17.0185 -14.3622 -21.1787 -19.4189 TIMING: 455000 CPU: 1314.39, 0.00289443/step Wall: 1314.39, 0.00289443/step, 3.65422 hours remaining, 206.554688 MB of memory in use. ENERGY: 455000 732.2048 2106.8214 1956.0737 106.6471 -205992.1317 17801.8312 0.0000 0.0000 34178.2348 -149110.3185 298.4870 -183288.5534 -149015.7980 299.6118 -87.6941 -56.6344 559313.2250 11.7862 11.7543 PRESSURE: 455200 -90.8561 -67.9003 -45.8212 -67.8995 -524.193 0.95924 -45.8208 0.95963 -164.325 GPRESSURE: 455200 -56.463 -99.2276 -37.6743 -52.1093 -472.685 10.2722 -27.1033 42.4412 -162.93 PRESSAVG: 455200 1.28729 2.7979 -104.263 2.79791 -22.2569 -7.96332 -104.263 -7.96336 10.959 GPRESSAVG: 455200 1.92646 2.83552 -102.977 0.79768 -22.5602 -8.21424 -106.26 -6.89081 10.4828 TIMING: 455200 CPU: 1314.97, 0.00291195/step Wall: 1314.97, 0.00291195/step, 3.67618 hours remaining, 206.554688 MB of memory in use. ENERGY: 455200 770.8470 2111.7053 1986.0828 125.1180 -205893.4594 17556.9996 0.0000 0.0000 34389.1887 -148953.5180 300.3293 -183342.7067 -148860.4980 300.1045 -259.7913 -230.6929 557846.0831 -3.3369 -3.3836 PRESSURE: 455400 -364.663 115.685 32.3479 115.685 -214.91 143.691 32.3481 143.691 -260.993 GPRESSURE: 455400 -361.753 114.246 90.8719 80.9076 -244.269 225.507 -44.8778 55.2918 -140.736 PRESSAVG: 455400 27.8186 -83.4132 -11.5685 -83.4131 -81.457 19.7061 -11.5686 19.706 90.8741 GPRESSAVG: 455400 27.4892 -82.1719 -14.133 -83.4357 -81.7112 19.9548 -10.5471 19.8244 91.4894 TIMING: 455400 CPU: 1315.55, 0.00291221/step Wall: 1315.55, 0.00291221/step, 3.67635 hours remaining, 206.554688 MB of memory in use. ENERGY: 455400 758.9026 2089.4425 1952.4091 117.7002 -205587.3173 17376.9036 0.0000 0.0000 34442.4057 -148849.5536 300.7941 -183291.9593 -148749.4493 299.8303 -280.1890 -248.9193 558443.6707 12.4119 12.4225 PRESSURE: 455600 -269.179 -92.8572 -94.595 -92.8574 -118.039 54.4658 -94.5948 54.4662 -2.10066 GPRESSURE: 455600 -237.238 -45.0807 -163.327 -115.136 -15.3994 7.06806 -113.729 44.3345 -29.6105 PRESSAVG: 455600 -33.6041 -37.2888 -20.8884 -37.2887 -43.2651 -19.9897 -20.8884 -19.9897 74.0955 GPRESSAVG: 455600 -33.3293 -36.0863 -20.1325 -36.5105 -43.8869 -20.9704 -21.1272 -20.7327 74.3531 TIMING: 455600 CPU: 1316.13, 0.00289648/step Wall: 1316.13, 0.00289648/step, 3.65633 hours remaining, 206.554688 MB of memory in use. ENERGY: 455600 754.7062 2072.6165 1957.2202 108.2152 -205879.9415 17475.8063 0.0000 0.0000 34630.0275 -148881.3496 302.4326 -183511.3771 -148787.2509 300.7576 -129.7727 -94.0825 557479.3006 -0.9246 -0.9544 PRESSURE: 455800 -235.968 -133.305 -114.129 -133.305 301.021 -58.738 -114.13 -58.7386 -262.408 GPRESSURE: 455800 -156.671 -103.852 -76.2035 -128.543 278.065 -164.078 -38.7702 -35.1185 -221.839 PRESSAVG: 455800 -41.5355 37.7159 -2.21954 37.7158 15.2389 -9.86803 -2.21954 -9.86806 42.0251 GPRESSAVG: 455800 -42.7262 36.7084 -0.414735 38.0291 16.2637 -9.24833 -3.43748 -10.7573 41.4835 TIMING: 455800 CPU: 1316.71, 0.0028882/step Wall: 1316.71, 0.0028882/step, 3.64571 hours remaining, 206.554688 MB of memory in use. ENERGY: 455800 778.8288 2120.5337 1933.8864 115.5890 -205852.9032 17676.1624 0.0000 0.0000 34387.3980 -148840.5048 300.3137 -183227.9029 -148753.8157 300.3307 -65.7850 -33.4817 557220.7826 5.2428 5.0070 PRESSURE: 456000 -160.574 46.7883 18.3573 46.7887 145.242 -234.635 18.3579 -234.636 -7.28664 GPRESSURE: 456000 -123.393 28.5356 -22.998 75.7557 147.079 -162.322 171.448 -259.511 41.6378 PRESSAVG: 456000 -4.01086 8.05277 21.8775 8.05277 16.8017 -30.9642 21.8774 -30.964 34.0707 GPRESSAVG: 456000 -3.04575 6.40401 21.0752 8.74833 15.0061 -30.3763 22.207 -30.8093 35.0821 TIMING: 456000 CPU: 1317.29, 0.00289417/step Wall: 1317.29, 0.00289417/step, 3.65308 hours remaining, 206.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 456000 694.4825 2107.0174 1966.8730 117.9473 -205984.4506 17800.6103 0.0000 0.0000 34528.6754 -148768.8447 301.5475 -183297.5201 -148673.2130 300.6628 -7.5396 21.7747 559578.3988 15.6205 15.6808 PRESSURE: 456200 -18.538 -48.0218 27.452 -48.022 -93.6521 109.918 27.4518 109.919 -160.838 GPRESSURE: 456200 24.2127 -80.7781 72.2884 -46.5721 -26.9396 65.7938 -27.8406 140.739 -181.071 PRESSAVG: 456200 -15.0679 -3.60358 25.4284 -3.60357 65.6126 -26.945 25.4283 -26.945 -32.8005 GPRESSAVG: 456200 -15.0742 -3.83772 25.9815 -3.04651 66.044 -25.5678 25.8478 -25.8029 -33.333 TIMING: 456200 CPU: 1317.87, 0.00289617/step Wall: 1317.87, 0.00289617/step, 3.65545 hours remaining, 206.554688 MB of memory in use. ENERGY: 456200 764.1611 2077.6958 1949.6813 124.5825 -206092.4525 17862.8452 0.0000 0.0000 34337.6451 -148975.8415 299.8792 -183313.4866 -148877.2406 299.8869 -91.0094 -61.2661 560270.2402 5.9147 5.8789 LDB: ============= START OF LOAD BALANCING ============== 1321.25 LDB: ============== END OF LOAD BALANCING =============== 1321.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1321.25 LDB: ============= START OF LOAD BALANCING ============== 1321.54 LDB: Largest compute 4820 load 0.027241 is 23.1% of average load 0.117968 LDB: Average compute 0.001719 is 1.5% of average load 0.117968 LDB: TIME 1321.54 LOAD: AVG 0.117968 MAX 0.182684 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.332 MB LDB: TIME 1321.54 LOAD: AVG 0.117968 MAX 0.182684 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.332 MB LDB: TIME 1321.54 LOAD: AVG 0.117968 MAX 0.182684 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.332 MB LDB: ============== END OF LOAD BALANCING =============== 1321.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1321.55 PRESSURE: 456400 -258.48 31.1394 -9.98436 31.1409 -135.559 0.856017 -9.98433 0.855416 -99.617 GPRESSURE: 456400 -239.332 19.138 7.24634 26.6103 -51.4427 -50.3667 -8.89256 -74.7418 -95.1682 PRESSAVG: 456400 -40.3823 0.128298 16.524 0.128294 27.1845 11.7978 16.5241 11.7978 -46.4626 GPRESSAVG: 456400 -41.2266 1.34445 16.6143 -0.690006 28.2672 10.9415 17.515 11.1834 -46.8991 TIMING: 456400 CPU: 1318.45, 0.00293646/step Wall: 1318.45, 0.00293646/step, 3.70614 hours remaining, 206.292969 MB of memory in use. ENERGY: 456400 737.2894 2113.6710 1938.4658 102.3038 -205960.6121 17535.7191 0.0000 0.0000 34287.1892 -149245.9738 299.4386 -183533.1630 -149148.1867 299.8808 -164.5522 -128.6476 557484.0623 -19.8868 -19.9528 PRESSURE: 456600 101.232 179.314 45.492 179.313 -110.365 -203.945 45.4924 -203.947 -219.747 GPRESSURE: 456600 117.03 176.515 8.9306 108.273 -51.2291 -269.322 78.5869 -94.0234 -200.095 PRESSAVG: 456600 15.7006 38.6664 -16.885 38.6663 29.6988 -20.9246 -16.885 -20.9246 -53.0628 GPRESSAVG: 456600 14.8865 37.6809 -18.1224 39.6137 29.7313 -19.9237 -18.1315 -22.7468 -52.472 TIMING: 456600 CPU: 1319.03, 0.00287342/step Wall: 1319.03, 0.00287342/step, 3.62642 hours remaining, 206.363281 MB of memory in use. ENERGY: 456600 742.5348 2076.6295 1947.5951 125.9162 -206189.1419 17668.1193 0.0000 0.0000 34378.4965 -149249.8506 300.2360 -183628.3470 -149145.4075 299.0316 -76.2935 -44.7649 557750.1196 -2.5545 -2.6181 PRESSURE: 456800 -113.605 83.975 -130.408 83.9756 -270.607 174.819 -130.407 174.818 -179.701 GPRESSURE: 456800 -96.8499 49.8358 -147.037 90.4976 -198.033 97.5043 -122.787 259.537 -162.387 PRESSAVG: 456800 18.8961 45.7285 -32.3827 45.7286 -0.543567 15.5647 -32.3827 15.5646 47.0406 GPRESSAVG: 456800 19.0179 46.873 -31.7247 44.417 -1.75844 14.3289 -32.4422 18.3504 48.5876 TIMING: 456800 CPU: 1319.61, 0.00288962/step Wall: 1319.61, 0.00288962/step, 3.6467 hours remaining, 206.363281 MB of memory in use. ENERGY: 456800 740.1543 2102.7337 1933.0396 117.0694 -205798.5884 17474.6782 0.0000 0.0000 34343.4691 -149087.4441 299.9301 -183430.9131 -148993.5427 299.2364 -187.9709 -152.4232 557990.4126 21.7977 21.9490 PRESSURE: 457000 156.292 -125.884 34.6149 -125.885 30.1532 -62.1588 34.6149 -62.1596 -52.4438 GPRESSURE: 457000 153.768 -120.017 94.1467 -9.80097 49.1441 -142.495 43.8588 -52.4908 17.94 PRESSAVG: 457000 25.1823 -11.337 67.265 -11.337 27.6268 49.3089 67.2651 49.3088 -22.2662 GPRESSAVG: 457000 25.9562 -10.7286 67.3659 -10.6711 27.8167 50.5625 67.1835 47.4199 -23.8139 TIMING: 457000 CPU: 1320.19, 0.00289095/step Wall: 1320.19, 0.00289095/step, 3.64821 hours remaining, 206.363281 MB of memory in use. ENERGY: 457000 756.7965 2094.7019 1915.5105 107.5169 -206212.4590 17859.5444 0.0000 0.0000 34239.6119 -149238.7767 299.0230 -183478.3886 -149147.7120 299.1426 44.6671 73.6173 557763.2876 10.1810 9.9863 PRESSURE: 457200 -7.77052 84.0362 118.398 84.0358 194.957 -130.017 118.398 -130.017 -231.936 GPRESSURE: 457200 21.4737 10.9147 69.0603 25.1271 198.953 -123.774 85.7665 -157.331 -162.163 PRESSAVG: 457200 -20.5498 6.61515 2.78585 6.61511 70.5382 -58.2139 2.78589 -58.2137 -13.174 GPRESSAVG: 457200 -20.8696 5.57988 1.05539 4.47023 71.4876 -58.9793 4.82998 -57.9828 -13.5088 TIMING: 457200 CPU: 1320.76, 0.00287851/step Wall: 1320.76, 0.00287851/step, 3.63236 hours remaining, 206.363281 MB of memory in use. ENERGY: 457200 763.9976 2035.6641 1933.5404 110.1901 -206016.3344 17775.6013 0.0000 0.0000 34234.3685 -149162.9724 298.9773 -183397.3409 -149072.1522 299.0101 -14.9164 19.4213 558254.9312 12.2714 12.3697 PRESSURE: 457400 -47.8079 -23.3464 74.7697 -23.3467 39.6355 -37.4238 74.7692 -37.4243 -132.29 GPRESSURE: 457400 -22.3245 28.3658 66.6973 1.39234 74.9198 -35.0922 135.003 -63.2693 -93.9304 PRESSAVG: 457400 -75.3733 16.0515 34.9687 16.0515 79.1259 -8.03667 34.9686 -8.03665 -46.4152 GPRESSAVG: 457400 -75.4728 16.4665 37.1218 15.4893 78.8357 -7.53507 34.6372 -7.16735 -46.492 TIMING: 457400 CPU: 1321.34, 0.00287905/step Wall: 1321.34, 0.00287905/step, 3.63288 hours remaining, 206.363281 MB of memory in use. ENERGY: 457400 693.6732 2081.4172 1950.7267 108.3656 -206146.6332 17671.3578 0.0000 0.0000 34542.6502 -149098.4425 301.6696 -183641.0927 -148993.1814 299.2582 -46.8208 -13.7784 558137.0208 -14.2209 -14.3764 PRESSURE: 457600 27.1815 -0.846894 -128.658 -0.848072 113.351 -62.9234 -128.658 -62.9254 214.992 GPRESSURE: 457600 64.2407 -18.8725 -80.4388 -0.846095 175.612 2.84195 -106.73 -161.124 228.961 PRESSAVG: 457600 34.2487 39.3622 -11.9448 39.3621 -16.5949 12.6522 -11.9449 12.6522 -0.248523 GPRESSAVG: 457600 34.1771 37.905 -13.417 44.5538 -17.3232 9.31109 -10.819 13.3417 0.463248 TIMING: 457600 CPU: 1321.92, 0.00289573/step Wall: 1321.92, 0.00289573/step, 3.65377 hours remaining, 206.363281 MB of memory in use. ENERGY: 457600 723.8410 2066.0431 1963.1374 115.5636 -206159.8736 17959.5085 0.0000 0.0000 34068.5057 -149263.2742 297.5287 -183331.7800 -149164.2055 299.2713 118.5082 156.2712 557678.1990 5.8018 5.7724 PRESSURE: 457800 -196.927 -22.6743 -170.323 -22.6751 70.8187 -129.488 -170.322 -129.488 -123.758 GPRESSURE: 457800 -117.354 14.0218 -198.467 0.752236 48.3984 -89.2125 -126.817 -71.2462 -85.6289 PRESSAVG: 457800 -42.1628 -0.499537 -65.1445 -0.499512 58.6277 34.1948 -65.1444 34.1947 5.10621 GPRESSAVG: 457800 -41.5523 0.821864 -63.762 -1.73694 59.257 37.2736 -67.2268 32.3518 4.18613 TIMING: 457800 CPU: 1322.49, 0.00289518/step Wall: 1322.49, 0.00289518/step, 3.65291 hours remaining, 206.363281 MB of memory in use. ENERGY: 457800 737.1630 2102.9248 1957.7401 116.5646 -206348.6832 17810.9460 0.0000 0.0000 34419.6373 -149203.7072 300.5953 -183623.3445 -149108.3169 298.6579 -83.2889 -51.5283 557584.0874 7.1904 7.2969 PRESSURE: 458000 170.395 66.2065 176.164 66.2063 110.497 4.39381 176.164 4.39242 106.215 GPRESSURE: 458000 181.037 55.1075 197.757 8.72943 104.199 38.9751 182.001 -18.2292 190.923 PRESSAVG: 458000 -22.1117 3.76542 4.48796 3.76539 18.579 -55.8262 4.48802 -55.8262 50.3411 GPRESSAVG: 458000 -21.7929 3.34156 5.53861 1.8073 17.9262 -53.192 4.9508 -55.3389 50.6923 TIMING: 458000 CPU: 1323.07, 0.00288665/step Wall: 1323.07, 0.00288665/step, 3.64199 hours remaining, 206.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 458000 703.1073 2091.3694 1943.9384 112.5362 -206246.5305 18009.0669 0.0000 0.0000 34326.9030 -149059.6093 299.7854 -183386.5123 -148959.3304 299.9866 129.0357 158.7198 557578.3358 15.6028 15.6085 PRESSURE: 458200 -148.955 216.435 -85.8851 216.433 -264.912 2.70635 -85.8844 2.70753 -115.209 GPRESSURE: 458200 -113.825 252.975 4.89961 208.638 -264.554 -24.3787 -69.3515 -73.914 -47.6816 PRESSAVG: 458200 66.613 18.0312 25.9995 18.0312 0.257547 -75.2195 25.9994 -75.2195 -75.7022 GPRESSAVG: 458200 67.6985 19.4019 23.4292 18.1818 0.174552 -76.018 29.116 -75.4158 -75.5785 TIMING: 458200 CPU: 1323.65, 0.00287611/step Wall: 1323.65, 0.00287611/step, 3.62854 hours remaining, 206.363281 MB of memory in use. ENERGY: 458200 733.5424 2083.2453 1954.8974 126.3428 -205888.4001 17545.5735 0.0000 0.0000 34308.5090 -149136.2896 299.6247 -183444.7986 -149034.9605 299.3250 -176.3588 -142.0201 557805.4716 -2.9439 -2.5685 PRESSURE: 458400 67.0422 90.9512 20.8525 90.9514 32.2665 93.1793 20.8524 93.1804 -18.9178 GPRESSURE: 458400 82.3361 160.603 119.393 102.707 50.6038 176.041 -111.879 -3.11435 27.3438 PRESSAVG: 458400 -27.848 19.5616 -15.0524 19.5616 15.1224 11.2477 -15.0524 11.2477 23.957 GPRESSAVG: 458400 -27.5421 16.948 -14.1736 20.9304 15.162 9.66291 -17.7294 12.1524 23.5781 TIMING: 458400 CPU: 1324.22, 0.00287855/step Wall: 1324.22, 0.00287855/step, 3.63145 hours remaining, 206.363281 MB of memory in use. ENERGY: 458400 727.3607 2100.2121 1940.1460 131.5783 -206006.8085 17652.8193 0.0000 0.0000 34249.4965 -149205.1956 299.1094 -183454.6921 -149108.8089 299.3849 26.7969 53.4279 557644.7877 3.7438 3.7327 PRESSURE: 458600 -244.388 -44.2661 -40.679 -44.267 -131.913 53.0196 -40.6803 53.0207 -103.184 GPRESSURE: 458600 -200.235 19.621 -23.9428 -86.2673 -78.7681 26.0033 -105.351 -68.7172 -118.829 PRESSAVG: 458600 -43.3752 19.0317 -4.02671 19.0317 -3.78098 0.0176599 -4.02671 0.0176163 47.2703 GPRESSAVG: 458600 -44.1698 20.507 -3.24598 17.9693 -4.636 -0.402383 -3.64832 -1.58081 48.7647 TIMING: 458600 CPU: 1324.8, 0.00288731/step Wall: 1324.8, 0.00288731/step, 3.64234 hours remaining, 206.363281 MB of memory in use. ENERGY: 458600 723.4752 2106.0665 1940.7582 108.2338 -205576.2771 17457.7693 0.0000 0.0000 34173.2655 -149066.7086 298.4436 -183239.9741 -148973.8421 299.1365 -159.8284 -132.6105 557807.4509 0.0380 -0.0137 PRESSURE: 458800 382.471 -14.3798 -6.55793 -14.3788 -30.9047 120.391 -6.5578 120.39 18.407 GPRESSURE: 458800 433.731 -52.7666 47.4421 30.4607 -42.0923 149.933 -43.5212 60.8482 86.92 PRESSAVG: 458800 -9.06424 20.054 8.98884 20.054 1.56815 0.330471 8.98887 0.330387 -36.7422 GPRESSAVG: 458800 -8.52091 19.6062 6.80056 20.0752 1.36791 0.126727 8.60432 1.16254 -37.3169 TIMING: 458800 CPU: 1325.38, 0.00287242/step Wall: 1325.38, 0.00287242/step, 3.6234 hours remaining, 206.363281 MB of memory in use. ENERGY: 458800 759.9551 2049.2447 1937.2309 109.5950 -206432.2957 18067.0944 0.0000 0.0000 34356.4551 -149152.7206 300.0435 -183509.1757 -149056.5564 299.0089 123.3244 159.5194 557029.1517 -14.7461 -14.8233 PRESSURE: 459000 -159.262 39.9159 -19.4656 39.9166 327.83 15.8742 -19.4644 15.8751 4.83951 GPRESSURE: 459000 -87.7382 96.5515 -15.5607 8.74969 383.66 156.776 -22.5999 -68.073 -25.5364 PRESSAVG: 459000 -19.3728 16.5005 18.9492 16.5005 29.9907 13.3579 18.9492 13.3578 -8.74716 GPRESSAVG: 459000 -18.7243 15.9916 19.4501 17.0745 30.6101 14.9431 20.0916 13.7378 -9.96989 TIMING: 459000 CPU: 1325.95, 0.0028698/step Wall: 1325.95, 0.0028698/step, 3.61993 hours remaining, 206.363281 MB of memory in use. ENERGY: 459000 690.5272 2089.3853 1958.3562 112.5579 -206206.9383 17917.3265 0.0000 0.0000 34244.2266 -149194.5585 299.0633 -183438.7852 -149098.3639 299.2950 57.8023 90.1285 558448.3453 0.6236 0.6386 PRESSURE: 459200 52.3886 -111.767 -93.3758 -111.766 -2.8738 78.1221 -93.376 78.1212 -7.46349 GPRESSURE: 459200 115.147 -91.9489 -85.6655 -68.3805 11.1858 169.713 -91.8591 55.3954 22.8402 PRESSAVG: 459200 -38.7304 30.7089 -15.8902 30.7089 36.5079 -28.5631 -15.8902 -28.5631 -33.1816 GPRESSAVG: 459200 -39.2826 31.4764 -16.0878 29.643 36.9033 -29.3216 -15.4445 -28.9879 -33.4466 TIMING: 459200 CPU: 1326.53, 0.00288492/step Wall: 1326.53, 0.00288492/step, 3.63884 hours remaining, 206.363281 MB of memory in use. ENERGY: 459200 702.2264 2089.8335 1961.0084 121.3732 -206053.0756 17737.0741 0.0000 0.0000 34320.7469 -149120.8132 299.7316 -183441.5601 -149024.9360 299.7022 14.0171 49.7243 558085.1023 -11.8013 -11.9420 PRESSURE: 459400 -89.0602 80.9653 -16.9138 80.9653 -128.551 -207.025 -16.9136 -207.025 7.63432 GPRESSURE: 459400 -79.497 83.7791 1.9803 27.5699 -110.489 -378.828 -33.1942 -69.1892 71.519 PRESSAVG: 459400 6.97348 -0.72845 16.171 -0.728384 -69.9656 -30.6977 16.171 -30.6977 74.6706 GPRESSAVG: 459400 6.44225 0.501462 18.513 0.0250358 -69.1187 -31.7748 15.3713 -31.8626 73.6476 TIMING: 459400 CPU: 1327.1, 0.00288388/step Wall: 1327.1, 0.00288388/step, 3.63738 hours remaining, 206.363281 MB of memory in use. ENERGY: 459400 775.0414 2089.5730 1953.5161 100.4637 -206533.7777 17841.0029 0.0000 0.0000 34370.5760 -149403.6046 300.1668 -183774.1806 -149308.8777 299.4479 -69.9924 -39.4890 558739.0575 3.8928 3.6571 PRESSURE: 459600 20.7991 84.9931 20.2281 84.992 -84.7189 -67.3046 20.2258 -67.3057 -41.5645 GPRESSURE: 459600 99.4873 89.9179 7.4272 59.3179 -118.201 -90.3376 117.936 -89.0308 14.1165 PRESSAVG: 459600 -16.4678 12.5558 13.247 12.5559 25.7535 -57.0076 13.247 -57.0076 27.8585 GPRESSAVG: 459600 -15.041 11.5758 13.5141 12.3861 23.4912 -56.496 12.0589 -57.2885 28.711 TIMING: 459600 CPU: 1327.68, 0.00288163/step Wall: 1327.68, 0.00288163/step, 3.63437 hours remaining, 206.363281 MB of memory in use. ENERGY: 459600 783.0897 2106.1382 1971.6066 108.2190 -206706.8375 17972.4494 0.0000 0.0000 34255.9956 -149509.3391 299.1661 -183765.3347 -149413.1837 299.3703 -35.1614 -1.5324 556882.7904 12.3814 12.3871 PRESSURE: 459800 -308.69 -140.987 85.9731 -140.987 -83.463 198.699 85.9741 198.7 -40.6395 GPRESSURE: 459800 -244.683 -143.418 0.615279 -114.553 -89.6298 188.437 164.785 244.549 -12.189 PRESSAVG: 459800 41.0015 15.524 -34.8499 15.524 -60.9891 15.2168 -34.85 15.2167 18.8101 GPRESSAVG: 459800 40.5196 15.6551 -33.9885 15.7098 -60.7814 16.3275 -34.9124 17.8207 19.0209 TIMING: 459800 CPU: 1328.26, 0.00289816/step Wall: 1328.26, 0.00289816/step, 3.65507 hours remaining, 206.363281 MB of memory in use. ENERGY: 459800 795.5593 2074.1170 1946.0456 113.0450 -206514.9079 17875.2060 0.0000 0.0000 34210.1965 -149500.7386 298.7662 -183710.9351 -149404.7711 299.1029 -144.2642 -115.5007 557915.5900 -0.3925 -0.4136 PRESSURE: 460000 -90.6457 39.525 36.489 39.5246 -261.461 -224.28 36.4894 -224.279 -59.6581 GPRESSURE: 460000 -104.839 2.08799 -19.588 176.723 -217.4 -202.288 131.612 -216.007 16.5298 PRESSAVG: 460000 -33.1126 -4.88409 -4.29589 -4.88407 19.5772 18.2298 -4.29596 18.2298 48.5007 GPRESSAVG: 460000 -33.7539 -6.15551 -4.95291 -5.46145 19.5316 17.8489 -2.84925 15.3526 49.0167 TIMING: 460000 CPU: 1328.83, 0.00287862/step Wall: 1328.83, 0.00287862/step, 3.63026 hours remaining, 206.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 460000 782.0795 2081.9813 1940.9980 106.3713 -206686.6907 17802.3353 0.0000 0.0000 34382.8518 -149590.0735 300.2740 -183972.9254 -149488.9494 298.6711 -137.2549 -101.9031 557861.5275 11.6551 11.5982 PRESSURE: 460200 -168.098 -204.091 148.594 -204.093 26.1813 54.7773 148.594 54.7762 -120.918 GPRESSURE: 460200 -132.922 -156.517 37.908 -149.16 27.5231 87.1298 217.35 58.2472 -50.9322 PRESSAVG: 460200 -39.1538 13.5106 -46.6931 13.5107 10.9665 -0.90958 -46.6932 -0.909599 75.9441 GPRESSAVG: 460200 -38.6664 17.2546 -48.7577 14.2199 10.0223 -0.63941 -44.3809 -0.976455 76.082 TIMING: 460200 CPU: 1329.41, 0.00289265/step Wall: 1329.41, 0.00289265/step, 3.64779 hours remaining, 206.363281 MB of memory in use. ENERGY: 460200 744.6434 2066.0737 1952.5299 106.3555 -206604.3566 17872.2480 0.0000 0.0000 34146.1685 -149716.3376 298.2070 -183862.5061 -149610.1670 298.6486 -87.6118 -52.1103 557970.0081 15.9190 15.8127 LDB: ============= START OF LOAD BALANCING ============== 1332.8 LDB: ============== END OF LOAD BALANCING =============== 1332.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1332.8 LDB: ============= START OF LOAD BALANCING ============== 1333.09 LDB: Largest compute 4820 load 0.027871 is 23.6% of average load 0.117904 LDB: Average compute 0.001727 is 1.5% of average load 0.117904 LDB: TIME 1333.09 LOAD: AVG 0.117904 MAX 0.180131 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.117 MB LDB: TIME 1333.09 LOAD: AVG 0.117904 MAX 0.180131 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.125 MB LDB: TIME 1333.09 LOAD: AVG 0.117904 MAX 0.180131 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.125 MB LDB: ============== END OF LOAD BALANCING =============== 1333.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1333.1 PRESSURE: 460400 24.1489 11.6944 95.6582 11.6942 -121.967 34.6223 95.6582 34.6225 110.159 GPRESSURE: 460400 122.118 52.2315 103.857 -19.776 -149 -3.97431 138.436 109.002 150.168 PRESSAVG: 460400 18.5665 -29.1823 -18.5882 -29.1824 -31.3153 13.4624 -18.5883 13.4624 65.2937 GPRESSAVG: 460400 17.2059 -31.0384 -16.0891 -29.6256 -30.8483 12.9053 -21.0938 13.9011 65.8413 TIMING: 460400 CPU: 1330, 0.00295233/step Wall: 1330, 0.00295233/step, 3.72289 hours remaining, 206.632812 MB of memory in use. ENERGY: 460400 741.5390 2096.4996 1940.7515 106.2432 -206608.8916 17879.6717 0.0000 0.0000 34063.6128 -149780.5738 297.4860 -183844.1866 -149679.7461 297.9510 4.1137 41.0951 556036.4885 17.5150 17.3996 PRESSURE: 460600 -215.015 -31.2037 -22.002 -31.2044 122.581 -29.9528 -22.0021 -29.9545 -56.2384 GPRESSURE: 460600 -143.141 -82.2743 118.975 -31.0195 127.458 -69.2544 -69.8366 -56.1738 -40.7731 PRESSAVG: 460600 -10.244 8.66662 5.75956 8.66653 79.3339 24.2479 5.75954 24.2478 -30.2771 GPRESSAVG: 460600 -9.86128 8.42491 5.86578 9.46729 79.439 24.148 6.35745 24.2376 -30.7702 TIMING: 460600 CPU: 1330.58, 0.00289129/step Wall: 1330.58, 0.00289129/step, 3.64575 hours remaining, 207.093750 MB of memory in use. ENERGY: 460600 735.6138 2048.8821 1919.6373 126.5829 -206542.1038 18009.4082 0.0000 0.0000 33984.7043 -149717.2753 296.7969 -183701.9796 -149617.5091 297.5702 -49.5575 -18.8188 557929.3752 12.9376 12.9358 PRESSURE: 460800 -120.7 31.8482 115.454 31.849 -80.2773 93.0916 115.455 93.0923 -228.564 GPRESSURE: 460800 -120.012 79.8368 166.584 13.803 -44.0556 147.819 103.74 49.1882 -169.597 PRESSAVG: 460800 -57.7208 -24.7248 20.375 -24.7247 -10.1025 -25.0316 20.375 -25.0316 6.01493 GPRESSAVG: 460800 -58.0637 -23.4017 19.255 -25.9825 -10.3335 -25.1477 19.5751 -23.3676 6.56362 TIMING: 460800 CPU: 1331.16, 0.00289122/step Wall: 1331.16, 0.00289122/step, 3.64551 hours remaining, 207.093750 MB of memory in use. ENERGY: 460800 738.7929 2072.9331 1924.9355 108.0752 -206553.9053 17775.1095 0.0000 0.0000 34342.7949 -149591.2643 299.9242 -183934.0592 -149490.8045 297.6710 -143.1803 -111.2215 556397.8904 -20.6028 -20.6112 PRESSURE: 461000 77.3188 -45.0107 -20.9936 -45.0106 -2.3909 -64.4517 -20.9929 -64.4528 -170.059 GPRESSURE: 461000 148.555 -127.777 -39.6683 39.8491 11.0153 -163.186 28.5987 8.23298 -158.412 PRESSAVG: 461000 26.9846 14.4585 13.339 14.4585 42.4551 -5.57314 13.3389 -5.57308 -84.676 GPRESSAVG: 461000 27.1938 12.5987 11.2985 16.3572 42.7227 -3.51996 12.6471 -9.69307 -85.1944 TIMING: 461000 CPU: 1331.74, 0.00289187/step Wall: 1331.74, 0.00289187/step, 3.64616 hours remaining, 207.093750 MB of memory in use. ENERGY: 461000 751.7848 2038.7876 1908.8634 108.3333 -206214.4408 17776.1363 0.0000 0.0000 34078.1934 -149552.3419 297.6133 -183630.5354 -149459.1084 298.3318 -31.7105 0.3861 556945.1298 -5.0788 -5.0927 PRESSURE: 461200 -63.4965 49.692 -36.0706 49.6902 -152.468 -241.122 -36.0703 -241.123 32.8842 GPRESSURE: 461200 -39.0826 89.563 -122.537 -11.5061 -190.917 -277.004 1.48341 -228.366 141.881 PRESSAVG: 461200 13.4881 39.6161 58.8761 39.6161 2.37452 -79.1591 58.8761 -79.159 -65.6478 GPRESSAVG: 461200 13.8076 39.6411 61.6112 39.4146 2.37128 -79.0024 58.877 -80.3396 -65.4286 TIMING: 461200 CPU: 1332.32, 0.00290389/step Wall: 1332.32, 0.00290389/step, 3.66116 hours remaining, 207.152344 MB of memory in use. ENERGY: 461200 713.8710 2098.3211 1938.2260 107.8836 -206380.8967 17793.5473 0.0000 0.0000 34136.5901 -149592.4576 298.1233 -183729.0477 -149499.1770 298.5045 -61.0268 -29.3729 556975.4905 -16.5951 -16.4166 PRESSURE: 461400 -405.089 82.7264 73.6488 82.7267 0.741636 -90.6697 73.6476 -90.6699 52.4644 GPRESSURE: 461400 -421.337 138.25 106.597 90.1678 54.7319 -21.2002 94.6607 -163.409 106.115 PRESSAVG: 461400 40.9548 52.2015 29.0914 52.2016 -72.5148 -36.5908 29.0914 -36.5909 65.4912 GPRESSAVG: 461400 40.4602 54.0566 27.0874 49.9887 -72.4438 -38.7582 29.7222 -34.9013 65.773 TIMING: 461400 CPU: 1332.9, 0.0029063/step Wall: 1332.9, 0.0029063/step, 3.66403 hours remaining, 207.152344 MB of memory in use. ENERGY: 461400 685.0330 2023.8635 1944.4971 114.8492 -206144.1464 17689.6563 0.0000 0.0000 33842.0433 -149844.2040 295.5510 -183686.2473 -149755.3374 297.9037 -117.2943 -86.8301 558451.3105 11.3104 11.2631 PRESSURE: 461600 2.17403 34.9505 -71.1444 34.9512 -211.867 128.034 -71.1444 128.036 -237.072 GPRESSURE: 461600 42.1432 -12.7818 -172.392 19.0506 -204.704 115.354 49.6958 168.072 -187.075 PRESSAVG: 461600 52.3342 -30.6587 -12.0952 -30.6586 -2.1937 -8.04284 -12.0952 -8.04289 -79.722 GPRESSAVG: 461600 52.8003 -31.3438 -12.016 -31.5649 -1.86586 -8.49834 -10.7073 -8.19898 -80.0791 TIMING: 461600 CPU: 1333.48, 0.00290635/step Wall: 1333.48, 0.00290635/step, 3.66394 hours remaining, 207.152344 MB of memory in use. ENERGY: 461600 741.2777 2075.0441 1940.6062 105.3094 -206240.5330 17580.0928 0.0000 0.0000 34199.9385 -149598.2643 298.6766 -183798.2028 -149500.6025 297.1561 -148.9214 -116.5453 556885.8572 -9.8605 -9.7149 PRESSURE: 461800 232.415 58.5399 -87.3278 58.5401 53.5569 46.8401 -87.3301 46.8398 33.2876 GPRESSURE: 461800 264.017 83.6333 -78.4928 10.4182 95.7605 49.7229 -116.777 -0.148934 61.6399 PRESSAVG: 461800 24.0581 25.9472 -0.608228 25.9472 4.98522 -22.875 -0.60825 -22.8751 -15.7507 GPRESSAVG: 461800 25.5098 24.3901 -1.98451 27.7299 3.47322 -21.7955 -0.643268 -23.3592 -15.8455 TIMING: 461800 CPU: 1334.06, 0.00288996/step Wall: 1334.06, 0.00288996/step, 3.64312 hours remaining, 207.152344 MB of memory in use. ENERGY: 461800 721.9289 2087.3564 1953.6101 119.7338 -206569.9187 18016.5706 0.0000 0.0000 34180.3410 -149490.3778 298.5054 -183670.7189 -149394.5316 298.3839 106.4199 140.4723 557461.8417 4.4309 4.3792 PRESSURE: 462000 13.7496 -47.8317 -86.1327 -47.8322 -85.1294 52.3075 -86.1327 52.3081 362.831 GPRESSURE: 462000 77.6941 -29.6889 -177.164 -34.1549 -103.575 56.1241 -88.822 29.5792 414.964 PRESSAVG: 462000 -9.16483 26.6187 -55.7327 26.6188 -4.02334 -39.4942 -55.7326 -39.4943 3.47204 GPRESSAVG: 462000 -10.4724 28.2332 -54.0834 25.6977 -3.61164 -39.3847 -56.7104 -38.145 3.8757 TIMING: 462000 CPU: 1334.64, 0.00289696/step Wall: 1334.64, 0.00289696/step, 3.65179 hours remaining, 207.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 462000 713.4395 2083.5012 1930.7252 107.5404 -206560.2820 17961.3369 0.0000 0.0000 34052.0515 -149711.6873 297.3850 -183763.7388 -149614.0695 298.1938 97.1505 129.6943 555715.1571 -3.2387 -3.4028 PRESSURE: 462200 38.4132 21.1456 -99.708 21.1465 296.547 -90.7781 -99.709 -90.7778 -106.36 GPRESSURE: 462200 107.308 -74.1304 -145.47 92.8928 324.119 -130.718 -90.5539 -53.8681 -101.748 PRESSAVG: 462200 -20.3805 -8.82107 4.62453 -8.8211 62.5273 -18.8436 4.62445 -18.8435 -17.7224 GPRESSAVG: 462200 -21.0902 -8.89279 5.1919 -9.00111 63.927 -19.8435 5.78769 -18.6131 -18.8024 TIMING: 462200 CPU: 1335.22, 0.00292724/step Wall: 1335.22, 0.00292725/step, 3.68979 hours remaining, 207.152344 MB of memory in use. ENERGY: 462200 740.1385 2040.2721 1919.0001 109.4626 -206649.9709 17946.1251 0.0000 0.0000 34171.7376 -149723.2348 298.4303 -183894.9724 -149626.7253 297.5521 76.2002 109.8926 555377.7004 8.1415 8.0115 PRESSURE: 462400 0.656716 -53.6881 10.5884 -53.687 104.224 -146.327 10.5874 -146.326 69.0127 GPRESSURE: 462400 10.1042 -31.7505 -23.6733 -36.6704 140.72 -101.533 -8.38109 -157.72 127.987 PRESSAVG: 462400 39.6113 -45.8058 -9.74183 -45.8059 -4.32095 -51.986 -9.74176 -51.986 -27.1175 GPRESSAVG: 462400 40.9527 -45.0151 -9.84647 -46.2234 -6.41458 -52.5792 -10.5645 -51.9524 -26.5613 TIMING: 462400 CPU: 1335.81, 0.00292064/step Wall: 1335.81, 0.00292064/step, 3.68131 hours remaining, 207.152344 MB of memory in use. ENERGY: 462400 741.7609 2052.4464 1936.9862 122.0061 -206766.1910 18015.2735 0.0000 0.0000 34269.4176 -149628.3003 299.2833 -183897.7180 -149541.0201 298.7592 57.9646 92.9370 555919.9666 2.7243 2.6589 PRESSURE: 462600 184.855 86.1502 -32.3108 86.1496 -82.7008 -72.603 -32.3093 -72.6035 33.0821 GPRESSURE: 462600 210.243 76.9744 -36.5383 87.2772 -27.9096 19.1825 -101.916 -156.715 62.6468 PRESSAVG: 462600 34.4202 -13.2614 -6.24187 -13.2613 -10.0404 -2.54639 -6.24177 -2.54637 -13.8701 GPRESSAVG: 462600 34.1462 -15.1398 -7.02676 -10.7646 -8.7238 -0.575499 -6.88472 -4.16656 -14.2405 TIMING: 462600 CPU: 1336.39, 0.00290686/step Wall: 1336.39, 0.00290686/step, 3.66378 hours remaining, 207.152344 MB of memory in use. ENERGY: 462600 727.0706 2048.7100 1935.4946 97.3399 -206361.9874 17851.0633 0.0000 0.0000 34056.4247 -149645.8842 297.4232 -183702.3089 -149544.3845 298.5065 45.0787 81.6600 556353.7074 3.5033 3.7273 PRESSURE: 462800 -54.3975 -50.3095 2.09739 -50.3107 -175.009 -51.8323 2.09704 -51.8317 147.372 GPRESSURE: 462800 10.4267 -87.2343 -4.00546 -30.6111 -155.156 -63.3641 -1.87883 -25.9155 165.519 PRESSAVG: 462800 28.1427 9.42635 2.59145 9.4264 -99.4215 -60.0529 2.59143 -60.0529 61.8277 GPRESSAVG: 462800 27.3508 10.5887 1.61984 6.52217 -99.7007 -59.8691 2.31396 -60.1957 62.949 TIMING: 462800 CPU: 1336.97, 0.00288478/step Wall: 1336.97, 0.00288478/step, 3.63578 hours remaining, 207.152344 MB of memory in use. ENERGY: 462800 737.8513 2040.4860 1960.9488 103.3205 -206448.3004 17815.3074 0.0000 0.0000 34124.0998 -149666.2867 298.0143 -183790.3864 -149567.1983 298.5129 -27.3448 6.9299 556118.5290 -3.1504 -3.1336 PRESSURE: 463000 22.9852 95.4509 53.1325 95.4501 1.01428 75.929 53.1335 75.9274 3.52576 GPRESSURE: 463000 44.3862 63.6389 32.5187 111.71 26.6681 74.5523 14.8111 55.4606 58.3843 PRESSAVG: 463000 -4.5257 -9.62223 -8.23777 -9.62226 17.4216 -66.5124 -8.23766 -66.5124 34.5095 GPRESSAVG: 463000 -5.62946 -8.78812 -7.20215 -10.4193 17.5608 -66.9038 -7.26665 -64.7557 34.2595 TIMING: 463000 CPU: 1337.54, 0.00288562/step Wall: 1337.54, 0.00288562/step, 3.63668 hours remaining, 207.152344 MB of memory in use. ENERGY: 463000 774.3028 2031.1370 1928.1760 103.5165 -206660.6660 17839.5923 0.0000 0.0000 34274.3906 -149709.5508 299.3268 -183983.9414 -149612.9622 298.7544 9.1751 43.1462 556074.7217 15.8018 15.3969 PRESSURE: 463200 112.767 -24.373 29.4857 -24.3732 66.3662 -65.7487 29.4864 -65.7492 -198.591 GPRESSURE: 463200 170.917 -3.33954 -4.24623 -62.5408 65.2617 45.6458 32.6849 -114.276 -166.724 PRESSAVG: 463200 3.64586 4.66882 87.3958 4.66882 3.54817 -28.1296 87.3959 -28.1297 -0.182938 GPRESSAVG: 463200 4.06902 3.15867 87.3068 6.51792 4.32194 -29.1175 85.1902 -28.1186 -1.61058 TIMING: 463200 CPU: 1338.12, 0.00289394/step Wall: 1338.12, 0.00289394/step, 3.64701 hours remaining, 207.355469 MB of memory in use. ENERGY: 463200 731.4999 2068.9787 1959.2693 108.7681 -206348.5307 17895.7811 0.0000 0.0000 34210.2415 -149373.9923 298.7665 -183584.2338 -149278.5797 298.1656 -6.4858 23.1516 557286.6629 2.3370 2.2601 PRESSURE: 463400 -214.16 -8.3596 -31.5061 -8.35953 42.2191 -142.981 -31.5074 -142.98 -150.582 GPRESSURE: 463400 -163.849 -39.6926 -17.5956 40.2278 60.2175 -67.0907 -65.7127 -140.896 -124.123 PRESSAVG: 463400 -13.8047 10.5862 9.98069 10.5862 -16.4056 15.512 9.98071 15.512 2.79511 GPRESSAVG: 463400 -14.9808 10.704 9.95505 10.0289 -17.2446 17.6498 11.8863 13.4452 4.4692 TIMING: 463400 CPU: 1338.7, 0.0028957/step Wall: 1338.7, 0.0028957/step, 3.64906 hours remaining, 207.355469 MB of memory in use. ENERGY: 463400 735.0400 2114.6191 1938.0225 125.9538 -205718.3841 17464.1143 0.0000 0.0000 34184.1598 -149156.4746 298.5388 -183340.6344 -149055.1675 299.1703 -107.5079 -75.9182 557590.1320 -9.1384 -9.2521 PRESSURE: 463600 -14.8424 -166.897 -134.423 -166.897 158.905 -36.4886 -134.424 -36.4894 -190.267 GPRESSURE: 463600 94.5988 -269.418 -106.911 -8.07704 125.087 16.5704 -150.598 -51.98 -170.212 PRESSAVG: 463600 -46.2264 -41.2599 -47.27 -41.2598 68.5393 -23.8191 -47.27 -23.8191 13.2076 GPRESSAVG: 463600 -44.807 -40.7906 -48.5201 -39.8705 68.9629 -25.1141 -46.5281 -22.3519 11.514 TIMING: 463600 CPU: 1339.28, 0.00288506/step Wall: 1339.28, 0.00288506/step, 3.6355 hours remaining, 207.355469 MB of memory in use. ENERGY: 463600 737.8856 2096.8780 1926.6175 120.6491 -206349.3448 17907.6720 0.0000 0.0000 34291.5969 -149268.0458 299.4770 -183559.6427 -149165.3309 299.1853 -15.4013 16.4912 557674.5046 11.8401 11.8900 PRESSURE: 463800 109.837 63.4617 26.6482 63.4622 235.619 -125.47 26.649 -125.47 8.92819 GPRESSURE: 463800 171.904 -29.8949 74.8775 130.276 231.22 -204.634 51.8775 -81.8567 36.5987 PRESSAVG: 463800 -37.5754 13.085 -40.5318 13.085 -38.4939 -45.8103 -40.5318 -45.8102 24.6834 GPRESSAVG: 463800 -37.3448 11.5023 -39.5674 13.7575 -39.2134 -46.2081 -41.8359 -46.246 25.1963 TIMING: 463800 CPU: 1339.86, 0.00290849/step Wall: 1339.86, 0.00290849/step, 3.66486 hours remaining, 207.355469 MB of memory in use. ENERGY: 463800 745.2111 2132.2404 1935.4829 108.3047 -206580.2086 18123.1815 0.0000 0.0000 34258.7059 -149277.0820 299.1898 -183535.7880 -149178.6197 299.0451 118.1279 146.5741 557409.3297 -17.1286 -17.1206 PRESSURE: 464000 66.3314 29.3309 3.07857 29.3294 -66.3986 37.6405 3.07829 37.6411 8.51739 GPRESSURE: 464000 148.574 85.0996 13.4326 -8.97333 -35.9249 97.0735 59.9578 -0.180493 -5.32012 PRESSAVG: 464000 -44.2764 52.5927 31.8759 52.5926 29.5566 -48.6924 31.876 -48.6924 -4.38897 GPRESSAVG: 464000 -46.2657 53.2724 33.4318 52.8655 30.7179 -50.0581 31.723 -47.1341 -3.62702 TIMING: 464000 CPU: 1340.44, 0.0028731/step Wall: 1340.44, 0.00287311/step, 3.62011 hours remaining, 207.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 464000 740.9602 2114.7044 1949.3673 121.7169 -206344.8880 17920.5174 0.0000 0.0000 34206.6054 -149291.0164 298.7348 -183497.6218 -149193.6067 299.4051 2.8167 35.7765 558085.9536 -6.3696 -6.3916 PRESSURE: 464200 -223.256 95.3845 -107.623 95.3841 13.6349 -2.10151 -107.623 -2.10188 -317.406 GPRESSURE: 464200 -158.414 74.4132 -77.0783 173.993 -7.35408 -0.539319 -195.417 -66.2547 -276.791 PRESSAVG: 464200 35.5389 7.91487 3.2209 7.91485 5.74541 -28.0842 3.2208 -28.0842 -11.1162 GPRESSAVG: 464200 36.6167 6.39056 4.17735 7.42385 5.17562 -25.6528 3.24796 -29.7418 -11.6467 TIMING: 464200 CPU: 1341.01, 0.00288172/step Wall: 1341.01, 0.00288172/step, 3.63081 hours remaining, 207.355469 MB of memory in use. ENERGY: 464200 785.6951 2076.5912 1919.0009 102.4422 -205879.0203 17537.0252 0.0000 0.0000 34070.6161 -149387.6495 297.5472 -183458.2656 -149293.7806 298.2573 -175.6756 -147.5197 557730.3527 10.0560 10.0486 LDB: ============= START OF LOAD BALANCING ============== 1344.4 LDB: ============== END OF LOAD BALANCING =============== 1344.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1344.4 LDB: ============= START OF LOAD BALANCING ============== 1344.69 LDB: Largest compute 4822 load 0.026825 is 22.8% of average load 0.117879 LDB: Average compute 0.001721 is 1.5% of average load 0.117879 LDB: TIME 1344.69 LOAD: AVG 0.117879 MAX 0.184511 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.176 MB LDB: TIME 1344.69 LOAD: AVG 0.117879 MAX 0.184511 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.176 MB LDB: TIME 1344.69 LOAD: AVG 0.117879 MAX 0.184511 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1344.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1344.69 PRESSURE: 464400 100.323 23.7328 57.1139 23.7334 -12.1928 70.2319 57.1143 70.2304 -1.55878 GPRESSURE: 464400 121.04 61.3051 1.34506 -28.194 50.6065 -12.5423 48.526 95.6776 19.1467 PRESSAVG: 464400 1.51911 2.05548 -10.1337 2.05556 15.7569 41.7265 -10.1337 41.7265 15.5115 GPRESSAVG: 464400 1.53876 5.07739 -11.4771 -0.25994 15.905 38.9749 -9.18477 43.805 15.045 TIMING: 464400 CPU: 1341.6, 0.00293597/step Wall: 1341.6, 0.00293597/step, 3.699 hours remaining, 206.691406 MB of memory in use. ENERGY: 464400 710.8643 2110.2274 1942.0369 117.1367 -206403.2802 17902.2548 0.0000 0.0000 34289.0861 -149331.6740 299.4551 -183620.7601 -149243.7042 298.6772 28.8571 63.5978 556543.4630 10.9292 10.8296 PRESSURE: 464600 348.056 -9.14959 -135.558 -9.14999 102.83 18.7357 -135.558 18.7369 -130.081 GPRESSURE: 464600 350.671 -49.3272 -136.771 -18.0826 170.66 -42.2293 -111.326 -25.9158 -108.453 PRESSAVG: 464600 -7.83306 14.5265 -39.9439 14.5266 19.891 -20.2262 -39.9439 -20.2262 -39.3629 GPRESSAVG: 464600 -7.31732 13.1854 -40.1486 15.0818 19.281 -20.0925 -41.5833 -20.5254 -39.0387 TIMING: 464600 CPU: 1342.18, 0.00289155/step Wall: 1342.18, 0.00289155/step, 3.64288 hours remaining, 206.691406 MB of memory in use. ENERGY: 464600 753.9444 2100.0783 1962.9640 125.2634 -206945.1589 18178.1196 0.0000 0.0000 34451.9400 -149372.8493 300.8774 -183824.7893 -149282.1552 299.3330 106.9351 137.6261 557756.9238 -9.1017 -9.0250 PRESSURE: 464800 227.494 -128.627 109.43 -128.628 184.889 275.494 109.429 275.495 94.8264 GPRESSURE: 464800 258.037 -164.545 129.646 -54.9149 189.947 223.777 166.59 225.251 155.677 PRESSAVG: 464800 -24.8397 -18.1067 -12.5101 -18.1067 -5.93117 43.1178 -12.5101 43.1179 45.5701 GPRESSAVG: 464800 -24.4974 -18.0208 -12.6905 -17.5624 -7.22472 43.6388 -11.3115 41.1165 46.7753 TIMING: 464800 CPU: 1342.76, 0.0029043/step Wall: 1342.76, 0.0029043/step, 3.65878 hours remaining, 206.691406 MB of memory in use. ENERGY: 464800 717.8313 2055.1620 1927.2698 97.1083 -206550.3251 17923.2896 0.0000 0.0000 34291.1920 -149538.4721 299.4735 -183829.6641 -149441.9080 298.8038 169.0699 201.2204 556105.6722 4.9331 5.0177 PRESSURE: 465000 -70.1062 -91.2436 -82.9869 -91.2431 -34.4339 -11.9958 -82.987 -11.9962 -117.104 GPRESSURE: 465000 -31.4853 -188.192 -117.88 -35.9227 -21.8331 76.555 -89.5216 -0.565146 -63.7785 PRESSAVG: 465000 -38.3307 -3.88059 -15.2699 -3.88049 71.0011 89.0798 -15.2699 89.0799 -16.4754 GPRESSAVG: 465000 -39.5349 -5.34884 -14.4605 -4.8429 71.5609 89.4593 -16.5423 90.4674 -15.9202 TIMING: 465000 CPU: 1343.34, 0.00289714/step Wall: 1343.34, 0.00289714/step, 3.64959 hours remaining, 206.691406 MB of memory in use. ENERGY: 465000 724.5280 2046.8461 1921.8867 110.4220 -206044.0615 17648.3383 0.0000 0.0000 34008.1973 -149583.8430 297.0020 -183592.0404 -149496.6944 298.7754 -73.8814 -39.0323 556708.4190 5.3983 5.3686 PRESSURE: 465200 -133.954 67.5815 56.5617 67.5789 -192.684 -51.7919 56.5619 -51.7908 -119.582 GPRESSURE: 465200 -101.306 111.203 78.1297 23.9686 -143.851 -65.2321 -24.6409 -35.7464 -94.4105 PRESSAVG: 465200 -30.7828 26.0349 10.3013 26.0347 40.5957 -31.6175 10.3014 -31.6174 -8.08023 GPRESSAVG: 465200 -30.372 25.991 9.67804 27.2351 41.4091 -29.3727 11.2527 -35.5995 -9.82952 TIMING: 465200 CPU: 1343.92, 0.00290741/step Wall: 1343.92, 0.00290741/step, 3.66236 hours remaining, 206.691406 MB of memory in use. ENERGY: 465200 739.1327 2077.7054 1943.7647 115.7851 -206388.9605 17715.2220 0.0000 0.0000 34290.0196 -149507.3310 299.4633 -183797.3506 -149411.5860 298.8689 -148.7403 -113.1893 556781.0536 0.5775 0.4026 PRESSURE: 465400 -84.5939 -86.1679 -21.5239 -86.1681 84.7863 -21.5881 -21.5238 -21.5878 -126.13 GPRESSURE: 465400 -43.7278 -47.1611 -79.9866 -116.131 105.583 -2.80851 -42.8933 -7.256 -91.8732 PRESSAVG: 465400 29.2191 -16.433 21.8143 -16.4329 49.9283 20.238 21.8143 20.238 -86.973 GPRESSAVG: 465400 29.4062 -14.7995 23.7412 -17.3711 50.0943 18.5756 21.2901 23.4769 -87.7967 TIMING: 465400 CPU: 1344.5, 0.00288983/step Wall: 1344.5, 0.00288983/step, 3.64006 hours remaining, 206.691406 MB of memory in use. ENERGY: 465400 708.5013 2089.4056 1974.9326 105.2690 -206467.5418 17897.6149 0.0000 0.0000 34054.0358 -149637.7827 297.4024 -183691.8184 -149533.1040 298.7901 -41.9791 -10.0058 558576.4331 -2.6085 -2.7654 PRESSURE: 465600 93.3639 -62.04 -28.9179 -62.0394 93.6451 -147.609 -28.9166 -147.611 -123.354 GPRESSURE: 465600 130.449 -37.0211 2.55149 -103.709 194.098 -223.805 23.4194 -53.7043 -156.685 PRESSAVG: 465600 -64.2659 20.3021 -34.7311 20.3021 61.84 10.3598 -34.7309 10.36 -21.0027 GPRESSAVG: 465600 -63.2671 19.5721 -37.3215 20.3154 60.4347 8.39178 -33.0148 9.55142 -20.5847 TIMING: 465600 CPU: 1345.07, 0.00288253/step Wall: 1345.07, 0.00288253/step, 3.63071 hours remaining, 206.691406 MB of memory in use. ENERGY: 465600 795.1894 2043.2474 1940.9546 103.0127 -206416.4555 17898.0451 0.0000 0.0000 34147.1758 -149488.8306 298.2158 -183636.0064 -149393.4048 298.5171 21.2184 55.9539 557095.0826 -7.8095 -7.8057 PRESSURE: 465800 143.025 21.8904 -5.32587 21.8912 207.703 -34.5397 -5.32521 -34.5394 -78.1906 GPRESSURE: 465800 157.932 -22.5412 -6.11375 59.2204 231.33 -27.0519 -97.3179 -53.486 -26.8206 PRESSAVG: 465800 -40.564 8.0007 -21.1455 8.00074 76.8728 5.29409 -21.1455 5.29409 -59.9448 GPRESSAVG: 465800 -39.3557 8.51538 -21.9631 9.03621 76.1246 5.63761 -20.8133 5.69555 -60.5393 TIMING: 465800 CPU: 1345.65, 0.00288571/step Wall: 1345.65, 0.00288571/step, 3.63456 hours remaining, 206.691406 MB of memory in use. ENERGY: 465800 750.1271 2066.1583 1930.0635 101.3698 -206446.4162 17938.3925 0.0000 0.0000 34132.9749 -149527.3300 298.0918 -183660.3049 -149427.6242 298.4806 90.8457 120.8137 557044.0025 -7.8787 -7.9235 PRESSURE: 466000 -268.828 -109.07 -41.0699 -109.07 78.3943 31.9431 -41.0706 31.944 -221.157 GPRESSURE: 466000 -242.76 -182.816 8.16487 -103.575 81.6817 78.9733 -116.035 6.66901 -163.787 PRESSAVG: 466000 22.7594 -19.1889 4.87596 -19.1888 58.8708 37.8858 4.87609 37.8857 -72.1615 GPRESSAVG: 466000 21.6126 -18.1371 6.81873 -20.2798 60.3134 39.8421 6.13713 36.6582 -72.5148 TIMING: 466000 CPU: 1346.23, 0.0028912/step Wall: 1346.23, 0.0028912/step, 3.64131 hours remaining, 206.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 466000 745.7179 2076.9746 1945.7618 109.0452 -205911.3943 17548.4409 0.0000 0.0000 34004.3577 -149481.0962 296.9685 -183485.4539 -149379.8339 297.9870 -137.1969 -108.2884 556930.0463 3.1562 3.1371 PRESSURE: 466200 -85.2044 84.3303 139.169 84.329 108.233 -23.2253 139.169 -23.2255 -266.756 GPRESSURE: 466200 -26.2686 123.332 143.269 36.4243 94.6538 -85.6363 113.381 3.57219 -226.002 PRESSAVG: 466200 -40.0554 -66.5266 42.8699 -66.5267 25.8024 -13.2048 42.8699 -13.2049 -17.8447 GPRESSAVG: 466200 -40.6012 -66.5712 41.996 -67.8377 24.1733 -13.8338 41.6577 -13.155 -15.9514 TIMING: 466200 CPU: 1346.81, 0.00290387/step Wall: 1346.81, 0.00290387/step, 3.6571 hours remaining, 206.691406 MB of memory in use. ENERGY: 466200 754.8795 2081.8517 1966.9666 107.4652 -206110.5603 17748.1461 0.0000 0.0000 33994.1419 -149457.1093 296.8793 -183451.2512 -149367.6579 298.1133 -81.2425 -52.5390 557268.8561 -10.6992 -10.7931 PRESSURE: 466400 -101.828 270.045 22.3575 270.046 -216.263 120.166 22.3565 120.166 -125.641 GPRESSURE: 466400 -61.119 304.797 61.3612 201.165 -221.092 110.976 22.2102 201.775 -64.0481 PRESSAVG: 466400 20.0664 22.3479 39.5466 22.348 5.64381 84.7983 39.5467 84.7983 -3.17918 GPRESSAVG: 466400 21.3916 19.4042 39.5675 23.9448 6.06458 85.3958 37.9241 87.8218 -4.91837 TIMING: 466400 CPU: 1347.39, 0.00288297/step Wall: 1347.39, 0.00288297/step, 3.63062 hours remaining, 206.691406 MB of memory in use. ENERGY: 466400 753.7225 2089.4433 1921.2661 104.8148 -206458.7151 17781.7597 0.0000 0.0000 34387.7374 -149419.9713 300.3167 -183807.7087 -149325.5102 298.4413 -147.9106 -115.4199 558570.2271 7.5103 7.5126 PRESSURE: 466600 207.903 -109.272 16.4939 -109.273 45.5023 -125.774 16.4947 -125.775 226.405 GPRESSURE: 466600 197.933 -201.38 -22.8541 -131.346 123.807 -89.4909 30.0878 -184.845 248.755 PRESSAVG: 466600 3.67443 -3.51505 -26.4958 -3.51499 -13.9065 3.4679 -26.4958 3.46785 20.8316 GPRESSAVG: 466600 2.5325 -0.479071 -24.9451 -4.65769 -12.8561 5.83842 -25.1654 -0.252563 21.0118 TIMING: 466600 CPU: 1347.96, 0.00289111/step Wall: 1347.96, 0.00289111/step, 3.64071 hours remaining, 206.691406 MB of memory in use. ENERGY: 466600 711.5219 2091.7555 1949.5723 114.7586 -206609.0093 18140.4702 0.0000 0.0000 34273.4609 -149327.4699 299.3187 -183600.9308 -149233.1146 298.8935 159.9370 190.1650 556979.4470 3.5332 3.5627 PRESSURE: 466800 200.957 -207.225 1.68464 -207.223 9.85366 104.176 1.68601 104.178 -60.0246 GPRESSURE: 466800 187.691 -125.845 129.32 -248.135 119.685 37.5146 -98.3121 169.747 -55.3983 PRESSAVG: 466800 -19.7789 42.9139 -10.3274 42.9139 76.4637 -24.8869 -10.3274 -24.8869 -78.3255 GPRESSAVG: 466800 -19.8185 41.5203 -11.3313 43.9686 76.2058 -27.0752 -8.80506 -22.9429 -78.3649 TIMING: 466800 CPU: 1348.54, 0.0028723/step Wall: 1348.54, 0.0028723/step, 3.61686 hours remaining, 206.691406 MB of memory in use. ENERGY: 466800 722.9295 2110.2029 1965.3452 113.4305 -206084.7524 17812.5570 0.0000 0.0000 34212.2531 -149148.0342 298.7841 -183360.2873 -149049.2473 299.3430 50.2621 83.9924 557337.6598 -7.2136 -7.3259 PRESSURE: 467000 -136.389 32.0629 100.948 32.0629 -107.943 -94.8397 100.948 -94.8406 -47.7503 GPRESSURE: 467000 -123.993 46.4002 93.2017 54.1865 -56.0177 -133.873 100.099 -56.8014 -12.8975 PRESSAVG: 467000 44.0498 -11.4519 -7.52629 -11.4519 15.6769 -37.47 -7.52633 -37.4698 -6.80903 GPRESSAVG: 467000 44.9882 -9.21743 -8.15704 -10.5383 15.904 -38.0056 -7.16589 -36.4764 -8.40891 TIMING: 467000 CPU: 1349.12, 0.00288546/step Wall: 1349.12, 0.00288546/step, 3.63328 hours remaining, 206.691406 MB of memory in use. ENERGY: 467000 788.0194 2106.1879 1951.5947 132.1847 -205768.8918 17624.3577 0.0000 0.0000 34210.0652 -148956.4822 298.7650 -183166.5474 -148858.6690 299.8873 -97.3608 -64.3029 558210.1909 17.6392 17.4945 PRESSURE: 467200 -241.729 61.9013 -87.0299 61.8999 -36.4692 55.9229 -87.0301 55.9209 -90.0462 GPRESSURE: 467200 -235.019 42.4534 -48.8781 103.186 -7.7132 67.5152 -82.8832 99.8321 -38.071 PRESSAVG: 467200 5.18621 66.8782 10.9904 66.8782 58.5389 1.95477 10.9903 1.95465 -69.0668 GPRESSAVG: 467200 4.41867 68.4839 10.5158 67.2728 58.3215 0.554513 9.94557 2.21913 -68.0263 TIMING: 467200 CPU: 1349.69, 0.00289197/step Wall: 1349.69, 0.00289197/step, 3.64131 hours remaining, 206.691406 MB of memory in use. ENERGY: 467200 802.3666 2113.2601 1943.6225 99.5364 -205927.7587 17712.6720 0.0000 0.0000 34453.0575 -148803.2436 300.8871 -183256.3011 -148707.1948 300.2345 -122.7483 -93.6012 559304.9532 -1.7806 -1.7620 PRESSURE: 467400 90.7438 -39.6768 40.3721 -39.676 -361.489 123.358 40.3723 123.358 145.933 GPRESSURE: 467400 81.5332 -114.35 58.0372 -43.5774 -247.65 62.9271 47.3135 200.655 155.921 PRESSAVG: 467400 -9.64752 26.2438 24.2946 26.2438 -32.3085 24.189 24.2946 24.1891 51.2982 GPRESSAVG: 467400 -9.54293 24.2883 24.4696 23.6826 -32.4323 24.6068 24.0146 22.8245 51.5156 TIMING: 467400 CPU: 1350.28, 0.00291489/step Wall: 1350.28, 0.00291489/step, 3.67001 hours remaining, 206.691406 MB of memory in use. ENERGY: 467400 741.3217 2125.7425 1951.2736 118.9470 -205807.6452 17702.1533 0.0000 0.0000 34436.7875 -148731.4196 300.7450 -183168.2072 -148638.2547 300.4173 -41.6040 -3.3986 559104.5699 3.1141 3.1801 PRESSURE: 467600 179.885 -138.976 76.1939 -138.976 -75.2273 -11.7448 76.1922 -11.7445 -8.25632 GPRESSURE: 467600 217.986 -97.004 57.0879 -81.4186 -53.6018 15.6432 66.8039 -58.2073 50.2588 PRESSAVG: 467600 5.92147 -8.08781 -19.0939 -8.08783 -36.8238 57.3498 -19.0939 57.3498 39.9999 GPRESSAVG: 467600 6.46374 -9.80079 -17.8133 -4.04878 -35.6761 59.0962 -20.2798 55.8802 38.6817 TIMING: 467600 CPU: 1350.86, 0.00290187/step Wall: 1350.86, 0.00290187/step, 3.65345 hours remaining, 206.691406 MB of memory in use. ENERGY: 467600 754.4888 2091.4307 1939.0658 110.4597 -205926.8746 17763.9149 0.0000 0.0000 34453.9715 -148813.5432 300.8951 -183267.5147 -148711.4009 300.7364 32.1338 71.5477 557507.2222 3.0325 3.1565 PRESSURE: 467800 178.935 140.309 -113.565 140.31 -13.6632 -101.875 -113.565 -101.875 -237.182 GPRESSURE: 467800 205.667 81.6158 -85.3302 111.993 -7.39681 -144.576 -139.924 -31.3105 -170.419 PRESSAVG: 467800 68.6035 -17.4825 56.17 -17.4825 -27.6367 47.3752 56.17 47.375 -46.9892 GPRESSAVG: 467800 67.7417 -16.3747 55.2432 -21.0531 -28.9632 46.4187 55.7582 48.1678 -44.9202 TIMING: 467800 CPU: 1351.44, 0.0029099/step Wall: 1351.44, 0.00290989/step, 3.6634 hours remaining, 206.691406 MB of memory in use. ENERGY: 467800 784.8548 2091.5958 1948.4803 114.0124 -205496.2731 17766.8745 0.0000 0.0000 34124.4487 -148666.0065 298.0173 -182790.4552 -148571.3919 300.2956 -23.9704 9.2838 557527.0513 -2.0075 -2.0472 PRESSURE: 468000 8.06096 -74.8443 62.4674 -74.8446 195.391 -197.138 62.467 -197.138 -127.879 GPRESSURE: 468000 -3.50527 -73.4297 34.7131 -86.7235 232.024 -93.6505 157.547 -191.018 -71.1801 PRESSAVG: 468000 32.5283 25.7035 25.5631 25.7034 56.743 -20.4221 25.5632 -20.4221 -68.5481 GPRESSAVG: 468000 31.8852 23.2956 26.1783 28.0326 58.1941 -20.0657 28.3835 -20.8353 -69.9346 TIMING: 468000 CPU: 1352.02, 0.0028957/step Wall: 1352.02, 0.0028957/step, 3.64537 hours remaining, 206.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 468000 728.4763 2137.3401 1938.3327 125.0886 -206046.9381 17875.6948 0.0000 0.0000 34585.8087 -148656.1969 302.0465 -183242.0055 -148560.5903 300.7667 25.1911 52.4462 558021.1559 6.9077 6.7149 PRESSURE: 468200 138.296 -49.3124 112.022 -49.3117 272.458 -148.975 112.023 -148.975 -240.488 GPRESSURE: 468200 156.449 -7.2518 168.779 -92.0017 322.076 -112.917 22.6388 -184.945 -216.728 PRESSAVG: 468200 83.5311 20.9047 13.6431 20.9046 81.8859 -30.4659 13.6431 -30.466 -98.8764 GPRESSAVG: 468200 85.0936 22.2522 13.1372 20.61 80.0233 -31.7487 11.415 -28.7401 -98.6717 TIMING: 468200 CPU: 1352.59, 0.00288037/step Wall: 1352.59, 0.00288037/step, 3.6259 hours remaining, 206.691406 MB of memory in use. ENERGY: 468200 757.2632 2094.4338 1934.6432 108.9437 -205784.9764 17886.3649 0.0000 0.0000 34225.4460 -148777.8816 298.8993 -183003.3276 -148686.9212 301.4541 56.7552 87.2657 557096.0869 22.1802 22.1484 LDB: ============= START OF LOAD BALANCING ============== 1355.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1355.98 LDB: =============== DONE WITH MIGRATION ================ 1355.98 LDB: ============= START OF LOAD BALANCING ============== 1356.27 LDB: Largest compute 4820 load 0.027533 is 23.4% of average load 0.117835 LDB: Average compute 0.001724 is 1.5% of average load 0.117835 LDB: TIME 1356.27 LOAD: AVG 0.117835 MAX 0.180752 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 1356.28 LOAD: AVG 0.117835 MAX 0.180752 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.996 MB LDB: TIME 1356.28 LOAD: AVG 0.117835 MAX 0.180752 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.996 MB LDB: ============== END OF LOAD BALANCING =============== 1356.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1356.28 PRESSURE: 468400 -84.6704 34.6273 -6.30056 34.6265 -9.37938 -193.813 -6.30046 -193.811 -7.01197 GPRESSURE: 468400 -33.911 52.5804 47.5627 -10.5766 -11.4766 -145.401 25.951 -127.553 30.0109 PRESSAVG: 468400 51.9489 9.63672 -42.0073 9.63677 7.92003 -27.9072 -42.0072 -27.9071 -66.5799 GPRESSAVG: 468400 50.4176 10.5546 -42.6212 9.18337 7.63334 -25.3297 -41.6251 -28.9462 -65.1495 TIMING: 468400 CPU: 1353.19, 0.00295209/step Wall: 1353.19, 0.00295209/step, 3.71603 hours remaining, 205.199219 MB of memory in use. ENERGY: 468400 763.7056 2131.7438 1946.0830 116.7082 -206124.5434 17755.4998 0.0000 0.0000 34535.6360 -148875.1668 301.6083 -183410.8029 -148780.3706 300.9053 -33.6872 -5.1256 556934.9552 -2.2370 -2.3662 PRESSURE: 468600 -146.18 87.6051 12.3153 87.6059 -5.39835 127.056 12.3145 127.057 -202.208 GPRESSURE: 468600 -122.538 34.453 -19.2693 84.9843 23.3629 29.4247 45.2309 129.612 -151.066 PRESSAVG: 468600 39.6705 13.0025 -38.0149 13.0026 7.34533 13.4264 -38.0149 13.4265 -44.7428 GPRESSAVG: 468600 41.0673 11.7483 -35.2125 12.8851 7.29878 11.7651 -38.7398 13.4084 -45.9068 TIMING: 468600 CPU: 1353.77, 0.00292081/step Wall: 1353.77, 0.00292081/step, 3.67648 hours remaining, 205.402344 MB of memory in use. ENERGY: 468600 758.0772 2096.1470 1928.3808 111.2230 -205740.3894 17582.9578 0.0000 0.0000 34377.8218 -148885.7819 300.2301 -183263.6036 -148787.3815 300.5095 -117.9287 -83.4137 556786.7504 0.7577 0.8198 PRESSURE: 468800 99.9664 96.8097 182.568 96.8093 -80.7109 211.813 182.568 211.811 128.746 GPRESSURE: 468800 126.441 169.419 186.523 75.7052 -5.74222 221.138 155.297 138.641 121.988 PRESSAVG: 468800 37.1012 15.2005 30.2505 15.2005 -42.4526 2.42179 30.2504 2.42175 1.67698 GPRESSAVG: 468800 36.503 16.3737 29.0123 15.2906 -42.2726 1.57702 30.1169 2.9397 2.02047 TIMING: 468800 CPU: 1354.35, 0.00290585/step Wall: 1354.35, 0.00290585/step, 3.6575 hours remaining, 205.402344 MB of memory in use. ENERGY: 468800 771.2566 2116.0990 1933.6158 123.6377 -206115.2421 17791.8896 0.0000 0.0000 34567.0639 -148811.6796 301.8828 -183378.7434 -148721.2792 300.3030 49.3340 80.8957 556360.3291 -1.2248 -1.2497 PRESSURE: 469000 -9.3418 -8.42476 41.5661 -8.4257 -130.539 -18.0371 41.5672 -18.0378 -58.3267 GPRESSURE: 469000 41.3769 59.3311 -65.5754 -79.5892 -134.961 -32.5534 21.1972 29.6521 -9.97216 PRESSAVG: 469000 43.3173 32.3338 39.9259 32.334 -36.1019 12.0919 39.9259 12.0917 -26.9101 GPRESSAVG: 469000 43.2364 32.0734 39.0046 33.0643 -35.8209 13.9233 41.3928 11.2254 -27.3121 TIMING: 469000 CPU: 1354.93, 0.00290077/step Wall: 1354.93, 0.00290077/step, 3.65095 hours remaining, 205.464844 MB of memory in use. ENERGY: 469000 730.7581 2069.0023 1924.4663 113.2819 -205545.7102 17637.2152 0.0000 0.0000 34282.0770 -148788.9095 299.3939 -183070.9865 -148693.1181 300.5595 -66.0691 -34.5187 559674.5686 -6.5649 -6.6322 PRESSURE: 469200 -124.825 28.492 -108.283 28.4919 -199.06 -46.3269 -108.284 -46.3287 -37.1309 GPRESSURE: 469200 -59.6539 -41.5907 -62.2142 10.4251 -188.019 -120.503 -148.182 24.0969 -17.0138 PRESSAVG: 469200 -9.98747 -11.4416 -2.98063 -11.4416 -5.39441 -35.0522 -2.98059 -35.0523 34.2695 GPRESSAVG: 469200 -9.04508 -11.0343 -1.03599 -12.3292 -6.15507 -36.8546 -4.03145 -35.7312 34.3546 TIMING: 469200 CPU: 1355.51, 0.00289388/step Wall: 1355.51, 0.00289388/step, 3.6421 hours remaining, 205.464844 MB of memory in use. ENERGY: 469200 754.4602 2084.3559 1914.2294 104.2963 -205365.8156 17459.7723 0.0000 0.0000 34236.2875 -148812.4141 298.9940 -183048.7015 -148713.8325 300.7646 -120.3384 -88.2288 557965.0330 6.2959 6.3848 PRESSURE: 469400 -235.288 -118.896 5.92495 -118.897 -61.7701 -49.3205 5.92453 -49.3205 -112.961 GPRESSURE: 469400 -165.58 -194.312 -42.8323 2.6161 -36.0109 -17.6253 101.677 -49.463 -109.067 PRESSAVG: 469400 29.7138 -25.2005 10.5491 -25.2005 -16.0792 -29.1996 10.5492 -29.1995 -21.2717 GPRESSAVG: 469400 29.2423 -26.3462 11.0034 -23.9549 -16.1259 -27.2802 9.82469 -27.0574 -20.7899 TIMING: 469400 CPU: 1356.09, 0.002887/step Wall: 1356.09, 0.002887/step, 3.63329 hours remaining, 205.531250 MB of memory in use. ENERGY: 469400 756.5969 2112.7233 1953.2539 117.6548 -205811.5392 17686.5533 0.0000 0.0000 34459.0007 -148725.7563 300.9390 -183184.7570 -148627.2227 301.1362 -136.6733 -103.5527 558544.8130 -2.5457 -2.5578 PRESSURE: 469600 -7.97002 -180.788 -63.2003 -180.786 39.1926 141.135 -63.2008 141.135 102.831 GPRESSURE: 469600 27.8238 -155.444 -99.4821 -135.732 52.5294 80.3779 -31.3097 196.377 159.449 PRESSAVG: 469600 45.8095 23.9545 -29.1266 23.9545 -52.4656 14.1211 -29.1266 14.1211 27.5895 GPRESSAVG: 469600 44.9245 26.754 -30.9204 24.5559 -51.0737 12.8809 -29.2017 12.3435 27.038 TIMING: 469600 CPU: 1356.67, 0.0028945/step Wall: 1356.67, 0.0028945/step, 3.64257 hours remaining, 205.531250 MB of memory in use. ENERGY: 469600 709.0718 2042.2240 1930.7946 119.7792 -205961.9642 17759.4154 0.0000 0.0000 34592.5660 -148808.1133 302.1055 -183400.6793 -148711.5055 300.6615 44.6847 79.9342 558485.4514 6.9778 6.9629 PRESSURE: 469800 -28.9323 -97.4595 103.394 -97.4586 -23.8993 160.054 103.394 160.052 -54.5313 GPRESSURE: 469800 45.5627 -127.687 127.726 -76.9551 2.32788 168.217 41.0337 149.393 -58.8002 PRESSAVG: 469800 -36.1734 -9.35745 26.8758 -9.3575 -30.6622 -23.6578 26.8759 -23.6579 56.0025 GPRESSAVG: 469800 -36.2579 -10.8282 25.689 -11.2838 -31.3744 -22.6333 26.4147 -22.2014 57.0812 TIMING: 469800 CPU: 1357.25, 0.0029073/step Wall: 1357.25, 0.0029073/step, 3.65851 hours remaining, 205.531250 MB of memory in use. ENERGY: 469800 779.8190 2082.5427 1956.7802 113.2281 -205930.9462 17674.9880 0.0000 0.0000 34594.6970 -148728.8913 302.1241 -183323.5883 -148628.2501 301.4305 -35.7876 -3.6366 558015.5897 -3.6111 -3.5170 PRESSURE: 470000 146.092 -67.0013 -75.7271 -67.0038 -358.513 -14.6316 -75.7262 -14.6315 5.52836 GPRESSURE: 470000 171.762 2.23763 -40.4487 -116.57 -332.665 6.38118 -145.668 33.2275 60.3194 PRESSAVG: 470000 33.0585 -2.11972 -36.8253 -2.11974 -17.4948 -50.1486 -36.8253 -50.1485 -8.31643 GPRESSAVG: 470000 32.4647 -1.41152 -34.9824 -2.13676 -15.8424 -51.0079 -34.8489 -50.4081 -9.42404 TIMING: 470000 CPU: 1357.83, 0.00290271/step Wall: 1357.83, 0.00290271/step, 3.65258 hours remaining, 205.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 470000 784.8277 2030.0339 1963.8854 122.3593 -205720.6472 17676.6402 0.0000 0.0000 34510.2086 -148632.6922 301.3862 -183142.9008 -148542.0109 301.1475 -68.9643 -33.5279 559177.0410 2.4158 2.3994 PRESSURE: 470200 59.8955 14.8976 -25.1082 14.8973 -130.631 55.8315 -25.1083 55.8311 -57.6821 GPRESSURE: 470200 86.1387 4.1162 -78.7216 -2.52187 -76.2647 -17.7325 53.9441 74.7916 -43.8899 PRESSAVG: 470200 44.4292 7.85563 20.9199 7.85539 -40.5926 -41.1049 20.9199 -41.1048 3.7882 GPRESSAVG: 470200 46.2022 8.39035 19.7431 8.37864 -42.3257 -41.7758 19.0163 -39.3855 4.2021 TIMING: 470200 CPU: 1358.41, 0.00290442/step Wall: 1358.41, 0.00290442/step, 3.65457 hours remaining, 205.531250 MB of memory in use. ENERGY: 470200 754.5570 2139.1864 1941.1888 112.1810 -205507.5494 17589.4475 0.0000 0.0000 34099.2416 -148871.7470 297.7972 -182970.9886 -148778.6007 300.7026 -42.8057 -11.3386 558463.1113 2.5416 2.6928 PRESSURE: 470400 -44.4582 -91.1154 -100.557 -91.1145 30.882 15.2103 -100.558 15.2102 -44.7116 GPRESSURE: 470400 28.2952 -102.456 -98.6167 -56.0257 55.6604 11.4702 -69.7477 43.991 -42.5623 PRESSAVG: 470400 39.5143 -33.8834 14.4032 -33.8833 65.8358 22.1257 14.4032 22.1257 -75.261 GPRESSAVG: 470400 38.0383 -33.8336 14.1454 -33.4932 66.1188 25.2432 15.5226 18.6668 -74.0247 TIMING: 470400 CPU: 1358.99, 0.00288581/step Wall: 1358.99, 0.00288581/step, 3.631 hours remaining, 205.531250 MB of memory in use. ENERGY: 470400 785.0263 2094.2484 1924.1040 120.7776 -206422.2831 17984.0245 0.0000 0.0000 34565.4858 -148948.6165 301.8690 -183514.1023 -148843.7782 300.5563 -19.4292 13.7978 557719.6566 10.0297 10.0441 PRESSURE: 470600 145.848 -3.98588 -9.79425 -3.98656 -93.3995 137.3 -9.79413 137.3 28.575 GPRESSURE: 470600 107.417 1.91326 -56.1654 -23.2157 -35.4931 133.076 55.0544 159.459 97.1029 PRESSAVG: 470600 -51.3857 18.9284 7.17948 18.9284 27.9799 -26.6188 7.17945 -26.6189 0.300351 GPRESSAVG: 470600 -51.4032 18.5813 7.836 18.8402 28.2031 -28.6022 6.26448 -25.7304 -0.216753 TIMING: 470600 CPU: 1359.57, 0.00289879/step Wall: 1359.57, 0.00289879/step, 3.64716 hours remaining, 205.531250 MB of memory in use. ENERGY: 470600 762.0419 2130.6913 1927.0129 115.1850 -206262.1098 17882.1830 0.0000 0.0000 34459.4785 -148985.5172 300.9432 -183444.9957 -148888.5893 300.4296 27.0077 56.3424 557405.1142 -7.7018 -7.8056 PRESSURE: 470800 13.2652 -197.045 68.1156 -197.045 -3.28764 110.003 68.1176 110.002 30.891 GPRESSURE: 470800 67.4963 -195.324 102.14 -131.062 -20.735 44.4813 15.7149 122.523 78.9755 PRESSAVG: 470800 98.9609 -0.815078 26.1006 -0.81519 -26.8732 -57.4334 26.1006 -57.4334 -24.1149 GPRESSAVG: 470800 98.7702 -0.721307 27.0098 0.256701 -26.9354 -57.9797 25.7264 -57.6913 -23.8772 TIMING: 470800 CPU: 1360.15, 0.00290701/step Wall: 1360.15, 0.00290701/step, 3.65734 hours remaining, 205.531250 MB of memory in use. ENERGY: 470800 722.3069 2122.6034 1974.5240 118.9542 -206399.0447 17927.9777 0.0000 0.0000 34355.8313 -149176.8472 300.0380 -183532.6785 -149078.6283 299.9995 13.6229 41.9123 558115.7696 15.9909 15.9858 PRESSURE: 471000 196.188 -66.6408 -223.078 -66.6396 362.955 7.56338 -223.078 7.56389 334.592 GPRESSURE: 471000 239.698 -121.542 -217.367 -105.435 398.738 -8.23972 -125.6 -31.3423 344.831 PRESSAVG: 471000 28.5734 -45.7604 9.01713 -45.7605 11.4577 -23.1821 9.01712 -23.1821 -53.414 GPRESSAVG: 471000 28.6951 -47.6178 8.24534 -44.4913 12.0211 -23.5861 8.58302 -23.095 -54.0368 TIMING: 471000 CPU: 1360.73, 0.00289829/step Wall: 1360.73, 0.00289829/step, 3.64621 hours remaining, 205.531250 MB of memory in use. ENERGY: 471000 750.2782 2120.8738 1955.3694 116.0597 -206808.9434 18409.7351 0.0000 0.0000 34357.0224 -149099.6048 300.0484 -183456.6272 -149004.5531 299.5116 297.9117 327.7557 557990.2041 -4.4609 -4.4402 PRESSURE: 471200 101.647 -107.572 -159.813 -107.572 -272.652 109.283 -159.814 109.285 -196.939 GPRESSURE: 471200 101.805 -36.0656 -80.9832 -153.845 -194.482 106.45 -167.61 92.4346 -180.731 PRESSAVG: 471200 17.0761 -24.5351 -77.711 -24.5351 45.0138 28.0251 -77.7111 28.025 -50.8035 GPRESSAVG: 471200 16.1629 -20.6676 -77.1856 -26.8932 45.4078 29.5127 -78.314 27.0765 -50.9031 TIMING: 471200 CPU: 1361.31, 0.00289521/step Wall: 1361.31, 0.00289521/step, 3.64218 hours remaining, 205.531250 MB of memory in use. ENERGY: 471200 769.7004 2059.4536 1946.3436 115.9856 -206394.6800 17812.4913 0.0000 0.0000 34328.0596 -149362.6459 299.7955 -183690.7055 -149261.2281 298.9901 -122.6479 -91.1357 559066.5855 3.7622 3.5559 PRESSURE: 471400 -109.422 2.71159 15.2608 2.71239 56.5401 60.6815 15.2604 60.6808 -13.0637 GPRESSURE: 471400 -106.285 12.9308 -65.5099 -15.6081 94.9552 -26.3669 42.9599 88.8164 45.3828 PRESSAVG: 471400 -40.5881 27.3429 -34.7639 27.3429 -22.8632 -0.766207 -34.7639 -0.766239 21.8331 GPRESSAVG: 471400 -40.1821 24.9164 -34.7748 26.8773 -23.0995 -1.2613 -35.3283 0.483223 22.4641 TIMING: 471400 CPU: 1361.89, 0.0028977/step Wall: 1361.89, 0.0028977/step, 3.64515 hours remaining, 205.531250 MB of memory in use. ENERGY: 471400 769.0999 2049.8444 1945.5131 104.9246 -206178.4866 17871.5225 0.0000 0.0000 34045.1728 -149392.4093 297.3250 -183437.5821 -149300.7139 298.1665 -21.9817 11.3511 558587.7567 -13.8727 -13.6058 PRESSURE: 471600 -187.398 -117.576 90.3399 -117.576 157.104 -147.662 90.3407 -147.661 18.0958 GPRESSURE: 471600 -132.573 -111.782 112.989 -201.42 158.85 -131.39 105.092 -134.186 61.1704 PRESSAVG: 471600 -79.2087 38.6782 16.0059 38.6781 88.3495 10.5524 16.0059 10.5525 -9.31255 GPRESSAVG: 471600 -79.4683 38.2657 16.5141 39.5683 87.9432 9.29602 17.8921 12.6828 -9.07284 TIMING: 471600 CPU: 1362.46, 0.00289317/step Wall: 1362.46, 0.00289317/step, 3.63928 hours remaining, 205.531250 MB of memory in use. ENERGY: 471600 766.3219 2073.6632 1934.5230 117.1507 -205917.8372 17692.6824 0.0000 0.0000 34152.9908 -149180.5053 298.2666 -183333.4961 -149089.4852 298.8237 -4.0661 29.1489 557352.1641 -0.0572 -0.1993 PRESSURE: 471800 -70.8105 -51.6883 -13.9654 -51.6884 -57.2579 64.9363 -13.9646 64.9364 -117.368 GPRESSURE: 471800 6.15716 26.2198 -23.0845 4.73323 -52.3418 113.937 18.2132 -18.7092 -96.9407 PRESSAVG: 471800 34.3971 62.9689 -15.0049 62.9689 -32.1445 -3.83714 -15.0048 -3.83718 34.5797 GPRESSAVG: 471800 35.676 62.9528 -16.5331 62.5788 -32.3721 -2.6487 -14.1327 -7.68238 33.2389 TIMING: 471800 CPU: 1363.04, 0.00288584/step Wall: 1363.04, 0.00288584/step, 3.6299 hours remaining, 205.531250 MB of memory in use. ENERGY: 471800 742.7267 2103.2265 1937.8125 123.6221 -206047.7954 17668.2957 0.0000 0.0000 34493.1589 -148978.9531 301.2373 -183472.1120 -148881.0612 300.3475 -81.8122 -47.7084 556278.0695 12.2775 12.1809 PRESSURE: 472000 -230.922 70.385 80.6217 70.3854 -14.2113 -28.1847 80.6239 -28.1848 -135.99 GPRESSURE: 472000 -169.099 74.6749 -29.8397 102.335 22.9372 -55.267 136.059 -46.8715 -129.212 PRESSAVG: 472000 -33.1451 -0.648329 2.5038 -0.648231 31.357 20.0896 2.50376 20.0896 -1.44202 GPRESSAVG: 472000 -33.0895 -0.12467 3.6619 -0.959419 31.2263 20.9006 1.7536 20.8697 -1.27239 TIMING: 472000 CPU: 1363.62, 0.00286937/step Wall: 1363.62, 0.00286937/step, 3.60903 hours remaining, 205.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 472000 767.9742 2110.9543 1931.0089 120.0908 -205791.6315 17551.2496 0.0000 0.0000 34160.8559 -149149.4977 298.3353 -183310.3537 -149053.7792 300.7292 -127.0411 -91.7912 558081.7042 -1.0767 -1.0452 PRESSURE: 472200 -252.61 20.7148 27.0123 20.7154 -231.012 241.497 27.0122 241.495 -97.8271 GPRESSURE: 472200 -216.574 78.1472 17.2565 96.4439 -153.309 223.266 63.0015 289.294 -110.381 PRESSAVG: 472200 -10.1312 9.83473 -18.297 9.8348 12.7456 50.1338 -18.2971 50.1337 22.7286 GPRESSAVG: 472200 -10.9197 11.8124 -18.2908 10.3381 13.299 48.9432 -18.3807 51.3304 22.9046 TIMING: 472200 CPU: 1364.19, 0.0028927/step Wall: 1364.19, 0.0028927/step, 3.63822 hours remaining, 205.531250 MB of memory in use. ENERGY: 472200 723.5305 2136.6941 1940.9065 102.1474 -205594.4924 17385.6700 0.0000 0.0000 34211.7149 -149093.8289 298.7794 -183305.5438 -148997.6400 299.7066 -193.8163 -160.0879 557690.9688 8.4477 8.4280 LDB: ============= START OF LOAD BALANCING ============== 1367.58 LDB: ============== END OF LOAD BALANCING =============== 1367.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1367.58 LDB: ============= START OF LOAD BALANCING ============== 1367.87 LDB: Largest compute 4820 load 0.027298 is 23.2% of average load 0.117897 LDB: Average compute 0.001722 is 1.5% of average load 0.117897 LDB: TIME 1367.87 LOAD: AVG 0.117897 MAX 0.179424 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.973 MB LDB: TIME 1367.87 LOAD: AVG 0.117897 MAX 0.179424 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.176 MB LDB: TIME 1367.87 LOAD: AVG 0.117897 MAX 0.179424 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1367.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1367.88 PRESSURE: 472400 455.638 -14.3927 -50.9856 -14.3935 6.21453 -162.691 -50.9855 -162.689 -6.76147 GPRESSURE: 472400 512.829 -26.67 41.4875 24.4956 21.9579 -174.752 -117.821 -162.883 23.8032 PRESSAVG: 472400 -2.95593 -15.7684 -33.6697 -15.7684 -38.1446 -5.64601 -33.6696 -5.64596 31.357 GPRESSAVG: 472400 -2.48582 -17.3655 -35.8151 -14.0922 -37.5974 -4.95051 -32.9769 -6.46664 30.6224 TIMING: 472400 CPU: 1364.78, 0.00293908/step Wall: 1364.78, 0.00293908/step, 3.69639 hours remaining, 205.468750 MB of memory in use. ENERGY: 472400 736.9759 2105.7670 1959.9111 116.7223 -206465.5347 18043.9253 0.0000 0.0000 34234.5564 -149267.6768 298.9789 -183502.2332 -149172.0187 299.1135 151.6970 186.1966 556551.0369 -3.2478 -3.1536 PRESSURE: 472600 131.574 -46.4228 76.5672 -46.422 20.9725 16.9601 76.5672 16.9601 -38.6699 GPRESSURE: 472600 155.313 11.5789 88.7574 -64.292 43.9216 8.0338 25.6131 88.404 -0.117368 PRESSAVG: 472600 64.473 37.702 26.142 37.702 -5.29094 0.583066 26.142 0.583011 -36.8223 GPRESSAVG: 472600 63.3672 37.4346 29.8005 37.6771 -6.02111 -1.02651 24.8681 2.08839 -34.9026 TIMING: 472600 CPU: 1365.36, 0.00289695/step Wall: 1365.36, 0.00289695/step, 3.64323 hours remaining, 205.523438 MB of memory in use. ENERGY: 472600 730.9423 2123.8698 1950.3811 110.7786 -206246.9418 17800.8118 0.0000 0.0000 34156.8605 -149373.2977 298.3004 -183530.1582 -149270.5409 298.8086 37.9588 66.3724 556748.0149 7.4532 7.4812 PRESSURE: 472800 -83.6673 -10.8951 -63.0005 -10.8952 1.61292 69.7779 -63.0006 69.7784 247.302 GPRESSURE: 472800 -56.9728 37.8272 -46.6824 -3.96234 71.3167 142.157 -87.5853 45.0687 247.232 PRESSAVG: 472800 45.172 -48.1446 -13.4759 -48.1446 -84.9199 -59.1458 -13.4758 -59.1458 25.5901 GPRESSAVG: 472800 46.2692 -49.42 -13.4982 -48.1404 -84.5484 -56.6896 -14.0603 -60.4061 23.907 TIMING: 472800 CPU: 1365.94, 0.00287654/step Wall: 1365.94, 0.00287654/step, 3.61741 hours remaining, 205.523438 MB of memory in use. ENERGY: 472800 742.6598 2116.3248 1943.5382 128.5338 -206328.0717 17789.8689 0.0000 0.0000 34128.2346 -149478.9117 298.0504 -183607.1463 -149381.5975 298.9540 55.0825 87.1921 555748.5462 -4.7193 -4.7907 PRESSURE: 473000 16.064 -52.5246 8.1808 -52.5252 -114.959 -90.0532 8.18077 -90.0552 -34.8448 GPRESSURE: 473000 19.1309 -42.3372 20.0639 -144.093 -110.829 -56.5642 63.0746 -135.123 56.9962 PRESSAVG: 473000 -72.4437 31.4556 -22.6323 31.4556 -4.96898 45.6462 -22.6322 45.6463 58.9879 GPRESSAVG: 473000 -73.846 31.7895 -23.1264 29.8041 -4.79166 45.1429 -21.5224 44.553 60.539 TIMING: 473000 CPU: 1366.51, 0.00285961/step Wall: 1366.51, 0.00285961/step, 3.59596 hours remaining, 205.523438 MB of memory in use. ENERGY: 473000 775.5997 2087.8269 1941.5140 113.3085 -206606.0931 17911.6198 0.0000 0.0000 34310.7117 -149465.5125 299.6440 -183776.2242 -149370.2792 298.6621 -44.5800 -11.5674 555757.8944 -6.1416 -6.0329 PRESSURE: 473200 23.9292 -29.0542 -56.535 -29.0534 -65.5962 -179.688 -56.5347 -179.687 -128.811 GPRESSURE: 473200 61.0692 37.5413 -35.9503 -96.5647 -45.4596 -213.886 -38.1029 -106.773 -81.1846 PRESSAVG: 473200 -45.7279 20.2291 -26.9515 20.2292 39.9414 -5.25291 -26.9515 -5.25299 11.1297 GPRESSAVG: 473200 -45.3383 19.7418 -26.5967 20.6999 40.733 -5.20838 -26.063 -5.31974 9.59068 TIMING: 473200 CPU: 1367.08, 0.00287559/step Wall: 1367.08, 0.00287559/step, 3.61589 hours remaining, 205.523438 MB of memory in use. ENERGY: 473200 752.6517 2100.4510 1949.6987 107.0044 -206284.3404 17673.0030 0.0000 0.0000 34167.9467 -149533.5849 298.3972 -183701.5317 -149440.7302 299.0122 -56.8259 -21.8583 557016.9583 1.7811 1.6618 PRESSURE: 473400 188.995 63.7955 -50.0977 63.7947 -71.4841 21.4288 -50.0986 21.4284 111.878 GPRESSURE: 473400 231.448 73.6715 47.3114 103.141 -45.6926 89.4034 -109.093 62.8357 129.585 PRESSAVG: 473400 27.1576 -6.15041 -20.3654 -6.1503 -0.446492 32.9309 -20.3654 32.9309 -49.1465 GPRESSAVG: 473400 27.8176 -3.06781 -22.2799 -7.15788 -2.39004 35.2482 -19.9319 32.1371 -47.2722 TIMING: 473400 CPU: 1367.66, 0.00286331/step Wall: 1367.66, 0.00286331/step, 3.60029 hours remaining, 205.523438 MB of memory in use. ENERGY: 473400 775.7483 2003.3606 1957.6892 117.7820 -206620.7100 18014.4210 0.0000 0.0000 34426.3684 -149325.3404 300.6540 -183751.7088 -149229.4011 298.2497 76.4632 105.1136 555947.6415 -7.4785 -7.2815 PRESSURE: 473600 -503.576 -73.3697 50.955 -73.3697 -4.20367 62.7584 50.9536 62.7587 7.77934 GPRESSURE: 473600 -448.946 40.8775 81.8001 -99.9958 -10.8814 50.3262 58.8302 17.4336 75.6799 PRESSAVG: 473600 11.8359 -32.0999 -25.3173 -32.0999 -1.38591 -8.35736 -25.3173 -8.35734 9.71661 GPRESSAVG: 473600 12.3329 -32.1587 -23.7707 -32.989 -0.626085 -11.6195 -27.415 -5.30714 8.62384 TIMING: 473600 CPU: 1368.23, 0.00286764/step Wall: 1368.23, 0.00286764/step, 3.60558 hours remaining, 205.523438 MB of memory in use. ENERGY: 473600 743.8711 2095.5462 1970.9830 108.0606 -206274.8297 17726.9606 0.0000 0.0000 34387.7389 -149241.6694 300.3167 -183629.4083 -149134.9050 299.1037 -166.6669 -128.0491 559233.3955 6.7222 6.7769 PRESSURE: 473800 299.418 -44.4627 59.0577 -44.4641 -344.266 -21.7891 59.0577 -21.7898 151.123 GPRESSURE: 473800 255.462 -149.988 117.404 -12.3607 -279.203 -14.2306 20.3237 -13.9884 236.243 PRESSAVG: 473800 16.8698 -32.8487 56.2104 -32.8488 -34.0214 -6.70686 56.2104 -6.70681 6.74018 GPRESSAVG: 473800 15.9925 -35.1563 57.1891 -30.2475 -32.8327 -7.01256 56.6062 -7.81662 6.82963 TIMING: 473800 CPU: 1368.8, 0.002873/step Wall: 1368.8, 0.002873/step, 3.61216 hours remaining, 205.523438 MB of memory in use. ENERGY: 473800 780.8512 2108.3045 1928.8388 112.6794 -206625.3996 18084.7482 0.0000 0.0000 34348.6788 -149261.2987 299.9756 -183609.9775 -149164.2427 298.4455 35.4249 70.8340 558702.0080 -3.4705 -3.3368 PRESSURE: 474000 -143.462 74.6986 17.3362 74.6983 -226.014 -101.95 17.336 -101.951 -140.368 GPRESSURE: 474000 -81.5769 94.6065 11.4505 -18.0867 -196.833 -137.046 22.3496 -16.0798 -147.898 PRESSAVG: 474000 33.7356 35.1005 32.6408 35.1004 -21.4091 -43.0573 32.6407 -43.0574 -4.89235 GPRESSAVG: 474000 34.1891 37.1173 32.0621 32.0709 -22.6156 -44.1795 31.8205 -41.2815 -4.26745 TIMING: 474000 CPU: 1369.38, 0.00287325/step Wall: 1369.38, 0.00287325/step, 3.61231 hours remaining, 205.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 474000 763.7892 2118.7345 1971.6639 119.0264 -205842.0370 17564.6458 0.0000 0.0000 33955.8594 -149348.3178 296.5450 -183304.1772 -149250.9601 298.5913 -169.9480 -142.1026 557782.3621 2.4781 2.4353 PRESSURE: 474200 -216.196 -140.979 -181.963 -140.98 -312.741 250.59 -181.965 250.588 -52.3037 GPRESSURE: 474200 -140.389 -155.786 -171.01 -175.12 -317.838 248.657 -65.0546 132.595 -33.8686 PRESSAVG: 474200 -8.78322 9.9986 -38.3935 9.9986 8.59322 -3.9791 -38.3935 -3.97915 2.26329 GPRESSAVG: 474200 -7.48171 10.0424 -41.9868 12.2196 8.22768 -3.96886 -34.8958 -5.61865 1.40866 TIMING: 474200 CPU: 1369.95, 0.00287974/step Wall: 1369.95, 0.00287974/step, 3.62032 hours remaining, 205.523438 MB of memory in use. ENERGY: 474200 801.5334 2074.4915 1986.6683 111.3600 -206320.0104 17626.7627 0.0000 0.0000 34392.5140 -149326.6805 300.3584 -183719.1945 -149230.1093 298.4631 -193.7470 -164.0317 557546.0565 0.6911 0.7182 PRESSURE: 474400 -259.601 -171.664 -84.8498 -171.662 -28.2271 -8.57085 -84.8485 -8.56851 -133.553 GPRESSURE: 474400 -280.225 -171.514 -2.02905 -144.784 23.3491 1.36177 -121.532 -23.7002 -72.107 PRESSAVG: 474400 -15.4525 -22.2645 -2.1639 -22.2644 -13.5886 -33.3434 -2.16386 -33.3434 -4.02536 GPRESSAVG: 474400 -18.1757 -23.9449 -0.413135 -22.7573 -12.4204 -31.7743 -2.69567 -32.3177 -2.05509 TIMING: 474400 CPU: 1370.53, 0.00288361/step Wall: 1370.53, 0.00288361/step, 3.62502 hours remaining, 205.523438 MB of memory in use. ENERGY: 474400 734.6476 2166.9914 1975.9558 120.6021 -206052.8354 17576.5629 0.0000 0.0000 34157.0388 -149321.0369 298.3019 -183478.0757 -149227.6647 299.4231 -140.4606 -109.6611 557995.9974 -11.0221 -10.8837 PRESSURE: 474600 -24.2411 153.531 -76.5675 153.532 239.546 -129.526 -76.5684 -129.525 20.1522 GPRESSURE: 474600 -43.1027 41.8386 -76.6355 282.889 326.447 -84.5572 -143.705 -183.147 53.853 PRESSAVG: 474600 -56.2888 -57.2346 10.9485 -57.2345 5.35757 -28.5928 10.9484 -28.5928 20.6681 GPRESSAVG: 474600 -54.608 -57.0098 10.3555 -56.484 5.51444 -29.0427 10.8278 -29.7545 19.0392 TIMING: 474600 CPU: 1371.11, 0.0029012/step Wall: 1371.11, 0.0029012/step, 3.64696 hours remaining, 205.523438 MB of memory in use. ENERGY: 474600 699.8727 2080.6208 1961.9752 122.5454 -206344.6419 17836.7617 0.0000 0.0000 34147.1363 -149495.7298 298.2154 -183642.8661 -149403.0628 298.8959 78.4857 112.3992 557361.0366 -10.0877 -10.0181 PRESSURE: 474800 -9.56183 87.93 45.1301 87.9295 169.319 86.3958 45.1302 86.3953 34.5454 GPRESSURE: 474800 13.6253 92.0037 -47.2329 22.7748 197.841 65.9506 58.3225 60.2198 82.8266 PRESSAVG: 474800 -4.53672 15.2828 58.6163 15.2828 71.5514 14.3682 58.6163 14.368 -5.29163 GPRESSAVG: 474800 -5.13428 15.5885 60.3965 13.7653 71.7346 15.3346 57.1859 14.5414 -4.98092 TIMING: 474800 CPU: 1371.69, 0.00290234/step Wall: 1371.69, 0.00290234/step, 3.64824 hours remaining, 205.523438 MB of memory in use. ENERGY: 474800 746.9920 2159.2848 1950.0913 102.0128 -206926.3435 18142.8112 0.0000 0.0000 34305.6517 -149519.4997 299.5998 -183825.1514 -149423.5752 298.6850 64.7675 98.0977 558785.7900 20.5743 20.5398 PRESSURE: 475000 -284.194 -146.56 26.9004 -146.559 108.257 -52.2794 26.9005 -52.2798 -79.4653 GPRESSURE: 475000 -300.897 -149.195 6.55671 -170.303 155.422 -50.4938 49.1265 -81.3576 -2.71418 PRESSAVG: 475000 -40.2627 -1.18591 -30.0306 -1.18581 29.342 4.83782 -30.0308 4.83774 -12.2431 GPRESSAVG: 475000 -41.0222 -1.89727 -29.4261 -0.404988 29.1264 2.38935 -31.9067 4.74602 -11.7919 TIMING: 475000 CPU: 1372.27, 0.00286729/step Wall: 1372.27, 0.00286729/step, 3.60402 hours remaining, 205.523438 MB of memory in use. ENERGY: 475000 706.2288 2143.8673 1950.7080 110.2126 -206379.5088 17832.9454 0.0000 0.0000 34274.3694 -149361.1775 299.3266 -183635.5469 -149267.9395 298.2398 -85.1341 -49.3965 557853.4514 -7.7213 -7.8959 PRESSURE: 475200 -124.027 43.9464 -79.8716 43.9459 77.9038 87.3136 -79.8728 87.3141 265.438 GPRESSURE: 475200 -23.428 127.318 10.7122 4.94269 125.697 47.9774 -172.153 115.328 220.698 PRESSAVG: 475200 0.661227 -3.4241 -15.0275 -3.42416 -35.9696 -27.8653 -15.0275 -27.8652 38.6615 GPRESSAVG: 475200 1.67497 -1.51516 -16.0381 -4.5545 -36.776 -24.184 -12.6816 -28.9913 38.4977 TIMING: 475200 CPU: 1372.84, 0.00287887/step Wall: 1372.84, 0.00287887/step, 3.61842 hours remaining, 205.523438 MB of memory in use. ENERGY: 475200 713.5538 2086.5864 1964.0350 106.2989 -206138.2161 17960.9273 0.0000 0.0000 34035.6919 -149271.1228 297.2422 -183306.8147 -149174.0824 298.2981 73.1051 107.6557 558792.1784 1.1177 1.1322 PRESSURE: 475400 29.3053 141.579 24.2385 141.579 -71.9724 -112.802 24.238 -112.803 -229.647 GPRESSURE: 475400 108.675 133.178 43.635 97.9243 -61.1392 -165.083 -26.3101 -112.312 -218.79 PRESSAVG: 475400 0.652425 8.50182 2.04206 8.50182 -26.529 -34.9563 2.04206 -34.9562 6.47273 GPRESSAVG: 475400 -0.0806843 6.66047 1.5254 9.72006 -25.1658 -37.7198 2.09042 -31.3727 6.57952 TIMING: 475400 CPU: 1373.42, 0.00287246/step Wall: 1373.42, 0.00287246/step, 3.6102 hours remaining, 205.523438 MB of memory in use. ENERGY: 475400 728.8752 2112.0538 1931.8283 117.4324 -206063.5866 17642.9401 0.0000 0.0000 34301.1205 -149229.3362 299.5602 -183530.4567 -149133.7079 299.3673 -90.7713 -57.0847 558751.2329 -6.4680 -6.2223 PRESSURE: 475600 42.3522 94.0799 -28.6583 94.0815 -53.7839 111.934 -28.6573 111.933 59.6286 GPRESSURE: 475600 113.637 16.5624 -48.983 94.357 -69.5923 163.902 -16.7045 67.7465 89.4614 PRESSAVG: 475600 3.9976 78.7243 1.33866 78.7245 -23.5523 -12.4898 1.33853 -12.4898 34.939 GPRESSAVG: 475600 4.7567 77.8715 2.91479 79.7794 -24.9359 -13.3248 0.279697 -12.0809 35.3615 TIMING: 475600 CPU: 1373.99, 0.00288037/step Wall: 1373.99, 0.00288036/step, 3.61998 hours remaining, 205.523438 MB of memory in use. ENERGY: 475600 730.1962 2160.3219 1950.2813 116.2941 -206127.9516 17666.0599 0.0000 0.0000 34429.7584 -149075.0399 300.6836 -183504.7982 -148979.0062 299.9294 16.0656 44.5021 557599.8480 5.1281 5.0608 PRESSURE: 475800 -32.7513 -12.4511 -33.7257 -12.4516 3.16539 -197.703 -33.7249 -197.701 -2.52994 GPRESSURE: 475800 20.8826 10.7083 -74.5395 -107.906 -8.06855 -237.9 -53.4841 -171.499 42.1748 PRESSAVG: 475800 44.0629 35.9577 -38.8487 35.9578 -19.4643 4.12707 -38.8486 4.12708 -16.863 GPRESSAVG: 475800 43.2686 38.6529 -41.2245 33.2043 -17.7938 6.59546 -36.496 3.04663 -17.4376 TIMING: 475800 CPU: 1374.57, 0.00290734/step Wall: 1374.57, 0.00290734/step, 3.65371 hours remaining, 205.523438 MB of memory in use. ENERGY: 475800 746.9114 2055.7185 1960.7928 107.6274 -206086.8161 17787.1413 0.0000 0.0000 34317.7199 -149110.9049 299.7052 -183428.6248 -149020.3822 299.6460 -10.7053 18.3296 558374.8484 2.5785 2.6791 PRESSURE: 476000 -163.373 36.0452 47.4612 36.0456 -84.5692 112.904 47.461 112.902 164.514 GPRESSURE: 476000 -179.582 13.8101 125.148 55.3065 -11.9069 64.5614 8.12313 120.191 198.797 PRESSAVG: 476000 25.0843 5.72983 -14.9478 5.72978 -2.5554 27.8018 -14.9478 27.8019 25.0764 GPRESSAVG: 476000 25.8 4.49562 -15.3195 8.13341 -2.87373 27.4199 -16.2124 26.4803 24.8368 TIMING: 476000 CPU: 1375.15, 0.00289993/step Wall: 1375.15, 0.00289993/step, 3.64424 hours remaining, 205.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 476000 728.9312 2109.9319 1973.2730 110.5416 -206094.1016 17678.7266 0.0000 0.0000 34404.3450 -149088.3524 300.4617 -183492.6974 -148986.4940 299.6971 -27.8094 2.4358 557860.0936 15.8684 15.9210 PRESSURE: 476200 86.997 5.3 -22.2613 5.30039 -210.149 -3.65398 -22.2601 -3.65288 -158.2 GPRESSURE: 476200 98.3337 4.99874 6.55578 9.75397 -221.851 11.0452 -74.662 -20.8226 -64.5237 PRESSAVG: 476200 -9.91936 -49.7969 9.49086 -49.797 -31.8401 0.398739 9.49094 0.398701 25.5022 GPRESSAVG: 476200 -10.6089 -50.6336 11.2165 -50.2372 -32.5231 0.290564 7.95624 0.999711 26.5082 TIMING: 476200 CPU: 1375.73, 0.00288919/step Wall: 1375.73, 0.00288919/step, 3.63059 hours remaining, 205.523438 MB of memory in use. ENERGY: 476200 784.4228 2123.9857 1955.3777 107.6632 -206345.5946 17842.1347 0.0000 0.0000 34257.1127 -149274.8978 299.1759 -183532.0105 -149184.2628 299.2824 -93.7839 -62.6802 557801.1302 -5.4191 -5.5413 LDB: ============= START OF LOAD BALANCING ============== 1379.12 LDB: ============== END OF LOAD BALANCING =============== 1379.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1379.12 LDB: ============= START OF LOAD BALANCING ============== 1379.41 LDB: Largest compute 4822 load 0.026827 is 22.7% of average load 0.117939 LDB: Average compute 0.001718 is 1.5% of average load 0.117939 LDB: TIME 1379.41 LOAD: AVG 0.117939 MAX 0.181392 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.219 MB LDB: TIME 1379.41 LOAD: AVG 0.117939 MAX 0.181392 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.422 MB LDB: TIME 1379.41 LOAD: AVG 0.117939 MAX 0.181392 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.422 MB LDB: ============== END OF LOAD BALANCING =============== 1379.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1379.42 PRESSURE: 476400 -198.653 -64.9059 48.5399 -64.9045 -130.608 -39.2569 48.5381 -39.2569 -38.3063 GPRESSURE: 476400 -207.592 -152.832 84.0871 -66.8558 -66.3393 -31.5442 133.193 -62.6528 11.428 PRESSAVG: 476400 -47.8098 12.2726 -46.6574 12.2726 -5.31914 -17.9187 -46.6574 -17.9186 66.7221 GPRESSAVG: 476400 -47.0583 13.0845 -48.497 12.3963 -4.61295 -18.2485 -46.5458 -19.0741 65.507 TIMING: 476400 CPU: 1376.32, 0.00294306/step Wall: 1376.32, 0.00294306/step, 3.69812 hours remaining, 206.289062 MB of memory in use. ENERGY: 476400 702.3021 2064.6837 1969.4427 101.4185 -206464.3328 17785.1844 0.0000 0.0000 34364.3146 -149476.9868 300.1121 -183841.3014 -149377.2133 299.0207 -122.5226 -87.5012 558842.5779 4.5310 4.6119 PRESSURE: 476600 -196.958 184.097 90.9388 184.097 8.24385 7.75752 90.9394 7.75741 12.0856 GPRESSURE: 476600 -237.436 208.353 89.1766 135.644 8.46978 -56.0413 192.957 -28.9437 144.152 PRESSAVG: 476600 -37.9438 -1.74912 -15.3282 -1.74912 0.0364053 -6.59598 -15.3281 -6.59587 60.9249 GPRESSAVG: 476600 -39.1115 -0.502358 -14.8458 -3.05804 -0.226919 -6.36198 -14.5177 -7.35178 62.4049 TIMING: 476600 CPU: 1376.9, 0.00287928/step Wall: 1376.9, 0.00287927/step, 3.61781 hours remaining, 206.289062 MB of memory in use. ENERGY: 476600 765.6284 2076.8694 1961.0887 108.7941 -206095.7758 17761.4608 0.0000 0.0000 34143.9346 -149277.9997 298.1875 -183421.9344 -149177.3671 299.5577 -58.8761 -28.2714 559208.6010 7.6725 7.6888 PRESSURE: 476800 -152.148 -40.4633 44.2959 -40.4639 -48.5783 -73.5722 44.2966 -73.572 101.821 GPRESSURE: 476800 -79.8304 33.8292 0.854662 -32.8046 3.58694 -150.715 65.7725 11.7757 68.4249 PRESSAVG: 476800 -38.3497 3.97137 -14.2054 3.97137 19.6528 -22.4481 -14.2055 -22.448 56.7685 GPRESSAVG: 476800 -37.3141 2.81031 -12.8469 4.31425 19.8708 -23.4578 -15.3981 -20.8143 55.6519 TIMING: 476800 CPU: 1377.48, 0.00291614/step Wall: 1377.48, 0.00291614/step, 3.66397 hours remaining, 206.289062 MB of memory in use. ENERGY: 476800 741.2725 2092.0648 1934.2777 117.2893 -206074.8839 17789.4984 0.0000 0.0000 34339.9717 -149060.5095 299.8995 -183400.4812 -148964.4537 299.1621 -32.9684 -2.6062 559259.5952 12.6906 12.7362 PRESSURE: 477000 66.5295 32.1519 -42.7759 32.1516 -89.7359 -93.7685 -42.7763 -93.7695 -409.196 GPRESSURE: 477000 55.0471 25.6753 -68.9879 117.63 -48.9224 -8.41876 -37.2184 -165.543 -343.331 PRESSAVG: 477000 -16.64 25.7602 -8.64394 25.7601 -60.4428 -33.3023 -8.64401 -33.3024 62.3088 GPRESSAVG: 477000 -15.0862 27.084 -8.77263 25.9513 -61.821 -31.4424 -7.53185 -34.9005 62.0153 TIMING: 477000 CPU: 1378.06, 0.00290861/step Wall: 1378.06, 0.00290861/step, 3.65434 hours remaining, 206.289062 MB of memory in use. ENERGY: 477000 725.3531 2141.0956 1928.0125 99.3138 -205778.0611 17559.9294 0.0000 0.0000 34496.9479 -148827.4088 301.2704 -183324.3566 -148727.6179 300.6097 -144.1341 -112.4023 559020.6718 -4.9247 -4.9640 PRESSURE: 477200 -4.63119 104.934 126.1 104.933 272.177 127.562 126.1 127.563 -72.4022 GPRESSURE: 477200 75.7531 103.618 171.516 185.429 230.928 152.579 148.467 156.917 -11.8465 PRESSAVG: 477200 12.0601 11.9906 20.9969 11.9907 -19.7143 -15.4234 20.997 -15.4235 -13.9943 GPRESSAVG: 477200 10.7247 12.7963 20.7479 11.0842 -18.369 -16.4671 20.6323 -14.1377 -13.7894 TIMING: 477200 CPU: 1378.64, 0.00288184/step Wall: 1378.64, 0.00288184/step, 3.62055 hours remaining, 206.546875 MB of memory in use. ENERGY: 477200 701.9548 2080.0963 1964.2469 109.7037 -206093.9241 17913.7719 0.0000 0.0000 34468.4188 -148855.7318 301.0213 -183324.1505 -148746.4089 300.4321 65.0480 98.2783 557889.5530 -7.2162 -7.1446 PRESSURE: 477400 -104.476 -179.42 -120.488 -179.421 67.0407 18.5202 -120.488 18.5204 -112.606 GPRESSURE: 477400 -113.967 -216.384 -116.47 -101.128 89.6295 -34.891 -161.975 20.8444 -28.3188 PRESSAVG: 477400 -32.6939 -13.5338 25.0577 -13.5339 14.7486 -5.3062 25.0577 -5.30607 35.3531 GPRESSAVG: 477400 -33.0496 -16.0091 25.8182 -9.95853 14.8307 -4.73289 25.9482 -5.94183 35.7665 TIMING: 477400 CPU: 1379.22, 0.0028934/step Wall: 1379.22, 0.0028934/step, 3.63491 hours remaining, 206.546875 MB of memory in use. ENERGY: 477400 697.9809 2013.9080 1935.4464 139.1349 -206027.0321 17739.3949 0.0000 0.0000 34403.3434 -149097.8237 300.4530 -183501.1672 -148992.3601 299.8858 -50.0139 -17.5520 557159.6001 5.8026 5.8492 PRESSURE: 477600 -289.323 92.7266 -64.9861 92.7261 -7.99633 -128.582 -64.9856 -128.582 -78.5042 GPRESSURE: 477600 -280.291 83.6136 -20.4054 51.0432 20.9415 -102.674 -74.9195 -170.051 -31.0766 PRESSAVG: 477600 -31.0618 -25.2779 8.77339 -25.2779 35.2148 1.41704 8.77336 1.41704 -35.456 GPRESSAVG: 477600 -32.1965 -24.5843 7.75332 -28.2769 36.0046 3.07757 8.15306 0.56281 -35.7264 TIMING: 477600 CPU: 1379.79, 0.00287472/step Wall: 1379.79, 0.00287472/step, 3.61129 hours remaining, 206.546875 MB of memory in use. ENERGY: 477600 765.8144 2125.0547 1965.7266 124.2224 -205557.3494 17358.7804 0.0000 0.0000 34083.9984 -149133.7525 297.6640 -183217.7509 -149041.0438 299.9179 -125.2746 -96.8085 557233.1218 -10.4343 -10.6394 PRESSURE: 477800 240.377 -157.181 -57.1729 -157.182 39.4775 79.1678 -57.1732 79.1679 -45.6564 GPRESSURE: 477800 215.873 -114.708 15.4825 -117.662 83.3276 84.1446 -11.4594 98.9073 28.1484 PRESSAVG: 477800 -16.2033 23.3695 -63.7961 23.3695 28.8004 49.8161 -63.7961 49.8161 -21.4389 GPRESSAVG: 477800 -15.8396 24.775 -61.9422 22.723 27.5983 46.7801 -63.4837 51.4079 -20.082 TIMING: 477800 CPU: 1380.37, 0.00288303/step Wall: 1380.37, 0.00288303/step, 3.62156 hours remaining, 206.546875 MB of memory in use. ENERGY: 477800 754.2488 2108.9118 1938.3367 112.8893 -206503.3836 18085.9370 0.0000 0.0000 34323.8726 -149179.1874 299.7589 -183503.0600 -149084.5055 299.5388 78.0659 109.1164 556696.3265 -2.9473 -2.7745 PRESSURE: 478000 -282.057 23.6218 79.1533 23.6222 52.1146 -52.9509 79.1529 -52.9506 -75.1296 GPRESSURE: 478000 -275.339 101.989 21.3856 49.7298 85.744 -130.982 73.8874 -5.95419 -36.1633 PRESSAVG: 478000 12.176 7.24758 28.3852 7.24749 -34.8517 12.9713 28.3852 12.9713 55.1351 GPRESSAVG: 478000 12.9579 5.95051 26.3606 7.47518 -34.8297 15.5047 27.1272 9.58137 54.0056 TIMING: 478000 CPU: 1380.94, 0.00287796/step Wall: 1380.94, 0.00287796/step, 3.61504 hours remaining, 206.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 478000 736.5377 2034.5742 1940.7532 108.3367 -205712.2356 17488.0752 0.0000 0.0000 34201.7884 -149202.1701 298.6927 -183403.9586 -149103.9972 299.0770 -101.6906 -75.2529 556764.5978 10.8198 10.7113 PRESSURE: 478200 153.627 -233.432 -178.414 -233.431 -82.4474 100.598 -178.415 100.598 -174.307 GPRESSURE: 478200 150.004 -272.889 -171.602 -279.264 -0.936189 85.0436 -134.331 96.0274 -165.518 PRESSAVG: 478200 50.0775 -31.4966 1.68032 -31.4967 -38.6387 -21.3184 1.68025 -21.3184 14.804 GPRESSAVG: 478200 49.5908 -29.9744 2.99246 -31.8822 -37.852 -22.4755 2.03457 -18.7511 14.7587 TIMING: 478200 CPU: 1381.52, 0.00290201/step Wall: 1381.52, 0.00290201/step, 3.64508 hours remaining, 206.558594 MB of memory in use. ENERGY: 478200 771.2444 2052.3422 1946.4566 117.8221 -206346.7867 17982.1848 0.0000 0.0000 34392.9835 -149083.7531 300.3625 -183476.7366 -148987.8735 299.4374 -34.3759 -5.4833 558485.7397 8.7476 8.8325 PRESSURE: 478400 -166.164 -4.93376 71.2313 -4.93206 198.785 235.509 71.2311 235.511 -18.4187 GPRESSURE: 478400 -126.202 -20.5336 42.4411 65.2045 198.752 205.399 104.914 256.949 35.6773 PRESSAVG: 478400 63.6883 -89.8202 -2.07453 -89.8202 -60.9972 33.2153 -2.07457 33.2153 -3.3279 GPRESSAVG: 478400 64.4128 -89.9994 -2.69166 -91.5815 -62.5961 32.5083 -2.91388 32.9349 -2.57574 TIMING: 478400 CPU: 1382.1, 0.0028848/step Wall: 1382.1, 0.0028848/step, 3.62331 hours remaining, 206.558594 MB of memory in use. ENERGY: 478400 776.4463 2096.0760 1954.1932 118.0266 -206141.8004 17927.2917 0.0000 0.0000 34219.3014 -149050.4652 298.8457 -183269.7666 -148947.2968 299.4882 4.7340 36.0761 557806.2497 -0.2123 -0.2530 PRESSURE: 478600 31.0541 118.466 -2.92784 118.466 -43.8025 -29.5081 -2.92874 -29.5085 -31.5907 GPRESSURE: 478600 84.0234 96.2145 65.6472 138.352 28.6673 18.5143 -37.4505 -40.5881 -45.1551 PRESSAVG: 478600 -6.06992 14.54 40.2273 14.54 3.31229 95.6828 40.2274 95.6828 58.8428 GPRESSAVG: 478600 -6.3565 13.0391 40.1746 14.7225 4.65977 96.6298 40.3236 95.1768 57.5254 TIMING: 478600 CPU: 1382.68, 0.00289993/step Wall: 1382.68, 0.00289993/step, 3.64216 hours remaining, 206.558594 MB of memory in use. ENERGY: 478600 751.6947 2040.3776 1967.9499 123.0563 -206752.6608 18065.5345 0.0000 0.0000 34542.1786 -149261.8693 301.6654 -183804.0478 -149161.1767 299.2477 -14.7797 22.5119 557619.9626 18.6951 18.6096 PRESSURE: 478800 -84.9245 -198.207 -188.994 -198.209 -140.608 112.238 -188.995 112.239 -323 GPRESSURE: 478800 -67.2127 -183.818 -143.177 -154.449 -127.201 148.407 -166.404 47.1934 -251.526 PRESSAVG: 478800 -19.8224 3.30562 29.3664 3.30556 -29.3138 56.8051 29.3663 56.8052 27.0098 GPRESSAVG: 478800 -19.1769 3.64866 28.7116 4.81637 -29.7171 57.1535 29.8763 55.1953 26.6425 TIMING: 478800 CPU: 1383.26, 0.00291674/step Wall: 1383.26, 0.00291674/step, 3.6631 hours remaining, 206.558594 MB of memory in use. ENERGY: 478800 778.2022 2063.9030 1951.3627 114.5370 -205984.5375 17596.2714 0.0000 0.0000 34353.6985 -149126.5626 300.0194 -183480.2611 -149032.7435 300.2422 -182.8442 -148.6464 558569.4784 -7.3754 -7.4172 PRESSURE: 479000 -10.9637 -64.379 -101.683 -64.3803 -163.921 -88.9447 -101.683 -88.9451 6.54863 GPRESSURE: 479000 -15.403 -111.134 -134.459 -26.9196 -119.982 -23.5508 -54.6718 -32.4605 57.1865 PRESSAVG: 479000 17.6896 -0.758828 40.5034 -0.758804 -104.493 -2.80708 40.5035 -2.80725 36.4504 GPRESSAVG: 479000 15.9094 -1.47652 40.3679 -0.293809 -103.427 -3.31395 41.1494 -2.01007 37.7619 TIMING: 479000 CPU: 1383.84, 0.00290567/step Wall: 1383.84, 0.00290568/step, 3.64904 hours remaining, 206.558594 MB of memory in use. ENERGY: 479000 750.6003 2129.7135 1951.0746 117.9450 -205960.8837 17555.9077 0.0000 0.0000 34377.7467 -149077.8959 300.2294 -183455.6426 -148987.6973 300.2491 -56.1121 -26.0660 557802.9048 -16.7843 -16.5851 PRESSURE: 479200 -252.672 -37.7047 139.364 -37.7049 -88.7478 -63.702 139.365 -63.7026 93.9342 GPRESSURE: 479200 -206.068 -109.058 118.069 -8.32046 -70.105 -102.618 53.2931 -34.2857 125.275 PRESSAVG: 479200 -39.3586 41.2198 20.5338 41.2198 -11.2096 5.58551 20.5338 5.58549 88.7496 GPRESSAVG: 479200 -37.4307 40.603 20.7509 41.0295 -11.8749 5.53013 19.1299 6.35094 87.6087 TIMING: 479200 CPU: 1384.42, 0.00289139/step Wall: 1384.42, 0.00289139/step, 3.63094 hours remaining, 206.558594 MB of memory in use. ENERGY: 479200 753.2595 2085.3240 1957.8053 111.3391 -206082.6411 17780.4747 0.0000 0.0000 34222.0189 -149172.4194 298.8694 -183394.4384 -149077.7478 299.6886 -82.4952 -50.2993 558253.0995 12.7271 12.7677 PRESSURE: 479400 -48.1675 -46.674 -3.50452 -46.6742 -95.5866 -29.1534 -3.50403 -29.1527 -231.96 GPRESSURE: 479400 23.4961 -80.3007 -27.3933 -115.787 -68.5182 -18.634 -22.1669 -1.09137 -237.505 PRESSAVG: 479400 8.72268 -40.6813 38.8346 -40.6813 -57.1155 -6.64823 38.8346 -6.64826 58.1135 GPRESSAVG: 479400 9.09541 -39.0505 37.773 -42.1765 -57.4394 -4.43908 38.7304 -6.60174 58.4465 TIMING: 479400 CPU: 1385, 0.00288141/step Wall: 1385, 0.00288141/step, 3.61826 hours remaining, 206.558594 MB of memory in use. ENERGY: 479400 726.9430 2092.1378 1964.3590 120.7331 -205883.1927 17588.6848 0.0000 0.0000 34292.7099 -149097.6252 299.4868 -183390.3351 -148994.0129 299.3475 -125.2380 -94.1756 558723.5325 3.2402 3.3675 PRESSURE: 479600 -95.1307 73.1149 -61.3833 73.1148 -87.6316 -63.2142 -61.3837 -63.2149 136.192 GPRESSURE: 479600 -79.5992 88.7699 -34.8959 94.5899 -9.59425 -62.7164 -20.8605 -19.9359 151.51 PRESSAVG: 479600 48.4439 39.8707 -9.21456 39.8707 -85.0706 27.9915 -9.21454 27.9915 42.8156 GPRESSAVG: 479600 48.2429 37.918 -8.50251 40.9321 -83.9687 25.8337 -6.88222 28.5649 41.8047 TIMING: 479600 CPU: 1385.58, 0.00288779/step Wall: 1385.58, 0.00288779/step, 3.6261 hours remaining, 206.558594 MB of memory in use. ENERGY: 479600 745.2748 2067.3934 1953.8041 116.6475 -206266.8601 17973.6525 0.0000 0.0000 34282.8645 -149127.2232 299.4008 -183410.0877 -149038.4942 299.9969 -15.5233 20.7723 557754.9142 2.0630 2.0263 PRESSURE: 479800 78.6437 -149.954 9.60684 -149.956 33.0566 45.0014 9.60663 45.0005 -33.7238 GPRESSURE: 479800 126.674 -162.3 -52.3676 -158.496 48.2306 14.75 49.8443 56.9087 -11.7429 PRESSAVG: 479800 -22.4065 -32.5681 -10.5605 -32.5681 -20.3188 18.8017 -10.5605 18.8018 12.5642 GPRESSAVG: 479800 -21.8497 -31.0292 -11.0796 -33.6845 -21.5753 18.7643 -11.4064 18.5358 13.116 TIMING: 479800 CPU: 1386.16, 0.00290602/step Wall: 1386.16, 0.00290602/step, 3.64883 hours remaining, 206.558594 MB of memory in use. ENERGY: 479800 744.8882 2127.0206 1927.4085 115.4296 -206184.7944 17861.8385 0.0000 0.0000 34243.6905 -149164.5185 299.0587 -183408.2090 -149072.3713 299.9713 25.9921 54.3873 557885.5665 -10.0537 -10.1030 PRESSURE: 480000 -558.577 -111.143 102.036 -111.144 -502.59 91.1616 102.036 91.1622 -205.191 GPRESSURE: 480000 -485.505 -67.0697 161.829 -108.864 -519.979 123.886 33.7253 61.3767 -158.965 PRESSAVG: 480000 84.4963 3.73327 17.1498 3.73324 -15.5899 27.3148 17.1498 27.3148 -103.487 GPRESSAVG: 480000 83.4052 3.05851 18.3347 4.17068 -15.1769 28.7383 15.0303 24.7878 -102.863 TIMING: 480000 CPU: 1386.74, 0.00291011/step Wall: 1386.74, 0.00291011/step, 3.6538 hours remaining, 206.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 480000 712.7375 2121.3243 1930.2533 117.4480 -205273.9409 16999.0777 0.0000 0.0000 34171.6152 -149221.4849 298.4292 -183393.1002 -149118.2751 299.1933 -422.1191 -388.1497 560363.1065 -11.5270 -11.5450 PRESSURE: 480200 -21.4136 -18.4822 15.1932 -18.4827 -11.3764 -102.115 15.1942 -102.115 -94.6099 GPRESSURE: 480200 -46.0329 -95.7038 -43.1334 -6.50004 49.5805 -84.6768 4.07348 -69.7299 -34.1335 PRESSAVG: 480200 18.7261 -12.7004 47.3781 -12.7003 -15.2863 18.1443 47.3781 18.1443 18.5203 GPRESSAVG: 480200 19.799 -11.2057 45.9129 -12.4389 -15.3272 17.795 47.6952 20.0578 17.495 TIMING: 480200 CPU: 1387.32, 0.00288833/step Wall: 1387.32, 0.00288833/step, 3.6263 hours remaining, 206.558594 MB of memory in use. ENERGY: 480200 739.5563 2076.4041 1977.1151 110.1751 -206376.1428 17829.4161 0.0000 0.0000 34235.4029 -149408.0732 298.9863 -183643.4761 -149315.2897 299.1587 -42.4666 -10.1953 557583.2550 7.3200 7.3223 LDB: ============= START OF LOAD BALANCING ============== 1390.7 LDB: ============== END OF LOAD BALANCING =============== 1390.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1390.7 LDB: ============= START OF LOAD BALANCING ============== 1390.99 LDB: Largest compute 4822 load 0.027100 is 23.0% of average load 0.117953 LDB: Average compute 0.001727 is 1.5% of average load 0.117953 LDB: TIME 1391 LOAD: AVG 0.117953 MAX 0.178687 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.555 MB LDB: TIME 1391 LOAD: AVG 0.117953 MAX 0.178687 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: TIME 1391 LOAD: AVG 0.117953 MAX 0.178687 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: ============== END OF LOAD BALANCING =============== 1391 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1391 PRESSURE: 480400 -110.685 -89.8529 14.7668 -89.8528 -101.257 31.8398 14.7662 31.8402 124.408 GPRESSURE: 480400 -104.748 26.9787 -45.1382 -251.685 -25.5345 17.6541 49.1249 107.511 136.116 PRESSAVG: 480400 -22.1586 -11.7221 40.4459 -11.722 25.9956 58.1368 40.4459 58.1367 6.55797 GPRESSAVG: 480400 -21.5359 -13.8586 41.0808 -14.1501 25.1884 58.0016 41.5851 57.2241 6.86192 TIMING: 480400 CPU: 1387.91, 0.00294092/step Wall: 1387.91, 0.00294093/step, 3.69217 hours remaining, 205.312500 MB of memory in use. ENERGY: 480400 772.7388 2093.6764 1927.3465 101.0775 -206416.5415 17741.7821 0.0000 0.0000 34394.8917 -149385.0285 300.3791 -183779.9202 -149292.0801 299.4716 -29.1781 1.9445 557893.0835 3.4650 3.5048 PRESSURE: 480600 -166.145 -52.4022 -168.962 -52.4021 -10.3653 20.5315 -168.962 20.5296 30.4552 GPRESSURE: 480600 -141.009 -121.593 -111.245 -30.1797 -23.7746 -10.4773 -175.644 31.554 101.618 PRESSAVG: 480600 -60.6998 -42.7375 -33.5572 -42.7375 -2.69938 -0.0759787 -33.5572 -0.075942 47.2545 GPRESSAVG: 480600 -61.2589 -43.8621 -32.5946 -41.4982 -2.5152 -1.4085 -33.1791 1.21728 47.5194 TIMING: 480600 CPU: 1388.48, 0.00286937/step Wall: 1388.48, 0.00286937/step, 3.60218 hours remaining, 205.312500 MB of memory in use. ENERGY: 480600 750.4863 2111.8831 1944.6283 122.3225 -206666.9524 17871.4124 0.0000 0.0000 34347.0830 -149519.1368 299.9616 -183866.2199 -149423.2013 299.1019 -48.6851 -21.0554 556298.3318 -5.3815 -5.4182 PRESSURE: 480800 -29.5113 -70.3127 24.4779 -70.3111 150.372 -105.66 24.4776 -105.659 386.25 GPRESSURE: 480800 31.882 -30.9914 6.5832 -147.514 141.948 -171.776 148.578 -81.774 419.935 PRESSAVG: 480800 41.1662 -38.3391 2.52195 -38.339 -55.1046 -19.4312 2.52195 -19.4312 37.8746 GPRESSAVG: 480800 40.1246 -37.9861 -0.182216 -37.9775 -54.4572 -17.9956 2.45348 -20.0784 37.4917 TIMING: 480800 CPU: 1389.06, 0.0028833/step Wall: 1389.06, 0.0028833/step, 3.61951 hours remaining, 205.312500 MB of memory in use. ENERGY: 480800 745.6298 2076.1269 1958.2559 110.1655 -206645.8817 18066.9089 0.0000 0.0000 34219.0197 -149469.7751 298.8432 -183688.7947 -149372.3952 299.1670 169.0368 197.9217 556051.4057 7.9787 7.7197 PRESSURE: 481000 -200.261 -135.961 -129.532 -135.961 170.228 -11.0686 -129.531 -11.0692 100.131 GPRESSURE: 481000 -107.908 -44.5834 -110.311 -34.264 158.517 -67.6246 -122.451 -2.35969 106.929 PRESSAVG: 481000 -44.3382 -33.3726 -63.9656 -33.3725 0.924588 4.57102 -63.9656 4.57102 34.0165 GPRESSAVG: 481000 -44.4405 -32.0765 -60.4039 -31.4614 1.56896 4.60833 -66.1095 5.15575 33.8743 TIMING: 481000 CPU: 1389.64, 0.00291066/step Wall: 1389.64, 0.00291066/step, 3.65369 hours remaining, 205.312500 MB of memory in use. ENERGY: 481000 748.3886 2054.2893 1940.8247 121.0251 -206215.1271 17820.2417 0.0000 0.0000 34086.7147 -149443.6431 297.6878 -183530.3578 -149348.3055 298.4249 23.3661 52.5126 557136.5309 -3.1324 -2.9991 PRESSURE: 481200 229.404 31.0693 -139.863 31.0688 -1.69894 -44.8106 -139.864 -44.8101 124.879 GPRESSURE: 481200 241.564 45.9821 -206.906 -41.7855 31.6875 74.2392 -110.301 -53.3486 178.213 PRESSAVG: 481200 -37.2699 -8.72901 0.803587 -8.72898 24.13 51.5852 0.803539 51.5851 18.5945 GPRESSAVG: 481200 -35.0288 -7.39514 -0.252951 -11.2143 22.6288 50.0279 0.682763 52.1031 18.0257 TIMING: 481200 CPU: 1390.22, 0.0028898/step Wall: 1390.22, 0.0028898/step, 3.62734 hours remaining, 205.312500 MB of memory in use. ENERGY: 481200 758.2973 2112.3532 1954.4392 104.2269 -206746.6099 18086.1572 0.0000 0.0000 34324.7397 -149406.3963 299.7665 -183731.1360 -149317.3111 298.8119 117.5281 150.4883 556247.3069 1.8182 1.8752 PRESSURE: 481400 59.4196 -35.2133 18.4902 -35.2133 152.224 61.2674 18.4915 61.2673 242.437 GPRESSURE: 481400 68.4765 -77.0137 -10.2838 -28.2658 208.225 40.8825 56.5484 52.919 291.443 PRESSAVG: 481400 15.7432 3.53803 57.6305 3.53803 -35.1793 10.4015 57.6305 10.4015 24.2829 GPRESSAVG: 481400 14.454 1.93882 56.573 5.24437 -33.7887 9.95519 59.2413 10.2651 24.6654 TIMING: 481400 CPU: 1390.8, 0.00289447/step Wall: 1390.8, 0.00289447/step, 3.63305 hours remaining, 205.570312 MB of memory in use. ENERGY: 481400 743.8867 2092.3813 1951.0387 100.8633 -206779.3953 18139.8732 0.0000 0.0000 34285.1977 -149466.1543 299.4212 -183751.3520 -149368.5823 298.7290 151.3600 189.3815 556274.0525 1.6156 1.7769 PRESSURE: 481600 66.7783 33.1074 120.776 33.1074 64.9173 19.7306 120.776 19.7309 -17.5434 GPRESSURE: 481600 16.8004 27.6002 65.3426 157.131 197.502 -67.7067 86.0325 5.62469 -6.82213 PRESSAVG: 481600 -65.2691 0.833781 22.005 0.833672 42.7337 14.9125 22.005 14.9127 -13.6513 GPRESSAVG: 481600 -65.3053 1.43182 23.4316 0.394655 42.2337 15.3203 22.1472 14.8415 -13.1923 TIMING: 481600 CPU: 1391.37, 0.00286467/step Wall: 1391.37, 0.00286467/step, 3.59548 hours remaining, 205.570312 MB of memory in use. ENERGY: 481600 774.5349 2070.4710 1964.1339 118.2270 -206350.0264 17970.1018 0.0000 0.0000 34267.5513 -149185.0066 299.2670 -183452.5579 -149086.5774 298.6998 38.0507 69.1601 558209.3910 -12.0622 -12.0880 PRESSURE: 481800 -10.7185 236.558 81.6915 236.557 -143.24 43.1648 81.6911 43.1643 -124.892 GPRESSURE: 481800 48.8445 229.337 92.1757 88.6829 -130.855 -35.5494 82.0088 149.944 -108.811 PRESSAVG: 481800 5.62317 48.4462 52.0805 48.4462 -0.0167368 38.6862 52.0807 38.6861 44.0672 GPRESSAVG: 481800 5.9015 47.6438 51.6854 48.3629 -1.36028 38.5415 50.8104 37.2521 45.0316 TIMING: 481800 CPU: 1391.94, 0.00287179/step Wall: 1391.94, 0.00287179/step, 3.60425 hours remaining, 205.570312 MB of memory in use. ENERGY: 481800 776.2413 2046.2033 1936.6317 113.6756 -205984.8389 17594.9641 0.0000 0.0000 34277.6676 -149239.4553 299.3554 -183517.1229 -149133.7415 299.6551 -92.9500 -63.6072 557871.8678 16.5579 16.5243 PRESSURE: 482000 -332.046 -75.3101 -129.866 -75.309 50.7993 70.1549 -129.865 70.1532 -166.598 GPRESSURE: 482000 -305.456 -111.221 -120.998 -21.4865 58.0438 15.2968 -171.72 54.1433 -107.889 PRESSAVG: 482000 -68.1754 20.5296 -11.9372 20.5298 10.3943 16.8215 -11.9373 16.8216 45.1849 GPRESSAVG: 482000 -70.3736 20.4311 -10.8497 19.5809 11.6718 18.2917 -10.4318 15.7216 45.6677 TIMING: 482000 CPU: 1392.52, 0.00286352/step Wall: 1392.52, 0.00286352/step, 3.59371 hours remaining, 205.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 482000 764.3730 2073.8070 1963.7818 127.1275 -206103.7416 17728.6404 0.0000 0.0000 34374.1747 -149071.8373 300.1982 -183446.0120 -148975.0024 299.2923 -149.2815 -118.4339 558393.2148 -4.1987 -4.3447 PRESSURE: 482200 35.7733 -65.6358 -95.0048 -65.6347 -61.3515 100.869 -95.004 100.869 33.3552 GPRESSURE: 482200 31.0511 -49.6727 66.7498 -39.4951 -4.27 149.294 -134.754 8.94262 74.1066 PRESSAVG: 482200 -43.7115 -19.007 -5.62324 -19.0069 14.3853 9.6486 -5.6231 9.64868 5.52184 GPRESSAVG: 482200 -42.1591 -17.4823 -7.88857 -18.4709 14.3146 7.79611 -6.2518 11.2733 3.99685 TIMING: 482200 CPU: 1393.1, 0.0029019/step Wall: 1393.1, 0.0029019/step, 3.64172 hours remaining, 205.570312 MB of memory in use. ENERGY: 482200 782.6502 2110.9388 1940.9304 115.3331 -206164.1131 17853.9788 0.0000 0.0000 34203.7492 -149156.5326 298.7098 -183360.2818 -149059.9766 299.7741 2.5924 33.6292 556971.2845 -7.9348 -7.9492 PRESSURE: 482400 -6.70364 37.5175 -107.823 37.5162 -199.835 197.8 -107.824 197.8 -204.507 GPRESSURE: 482400 43.8487 91.8386 -61.5028 21.6177 -157.842 223.483 -119.89 122.279 -197.119 PRESSAVG: 482400 47.3642 32.1552 -16.7499 32.1553 0.132857 -40.159 -16.75 -40.1589 -19.3407 GPRESSAVG: 482400 48.302 29.9419 -15.7923 31.492 -0.394117 -36.6223 -17.029 -39.7169 -19.8537 TIMING: 482400 CPU: 1393.68, 0.00291181/step Wall: 1393.68, 0.00291182/step, 3.654 hours remaining, 205.570312 MB of memory in use. ENERGY: 482400 773.4096 2092.0532 1959.5044 121.8312 -205929.0446 17530.1229 0.0000 0.0000 34336.1812 -149115.9421 299.8664 -183452.1233 -149032.2931 299.7950 -137.0154 -103.7040 557055.4962 9.3854 9.3514 PRESSURE: 482600 -20.4941 26.7886 12.8577 26.7882 -1.52454 85.5514 12.8584 85.5524 -390.593 GPRESSURE: 482600 -21.7116 41.0766 34.8481 -23.4182 36.1671 118.854 -23.3391 84.4137 -331.889 PRESSAVG: 482600 73.3738 6.28482 -60.4246 6.28485 -29.2231 39.1488 -60.4247 39.1488 -42.5507 GPRESSAVG: 482600 73.0199 7.89061 -59.6135 6.39197 -29.3549 36.644 -61.6037 37.5644 -42.2264 TIMING: 482600 CPU: 1394.26, 0.0028917/step Wall: 1394.26, 0.0028917/step, 3.6286 hours remaining, 205.570312 MB of memory in use. ENERGY: 482600 745.5961 2082.2409 1940.2291 116.5665 -205883.5876 17557.8064 0.0000 0.0000 34287.0227 -149154.1258 299.4371 -183441.1485 -149056.4743 299.7922 -137.5372 -105.8111 557179.8777 0.5334 0.4795 PRESSURE: 482800 214.428 134.796 143.36 134.796 35.567 128.086 143.358 128.085 145.231 GPRESSURE: 482800 213.416 165.05 121.656 142.318 64.0474 164.697 115.48 103.516 209.391 PRESSAVG: 482800 29.5217 68.7414 21.872 68.7415 -32.2639 8.27964 21.872 8.27938 -10.6358 GPRESSAVG: 482800 29.5197 69.6649 22.4331 68.5777 -31.4975 7.22908 22.1209 9.83792 -11.2977 TIMING: 482800 CPU: 1394.83, 0.00286492/step Wall: 1394.83, 0.00286492/step, 3.59484 hours remaining, 205.570312 MB of memory in use. ENERGY: 482800 754.0975 2121.4402 1963.7855 117.5223 -206714.2274 17957.0186 0.0000 0.0000 34523.3902 -149276.9731 301.5014 -183800.3633 -149185.8414 299.0029 131.7422 162.2850 555090.4909 -4.4593 -4.4252 PRESSURE: 483000 -154.637 -89.5546 99.7657 -89.5546 -140.504 -0.208482 99.7654 -0.209474 -185.57 GPRESSURE: 483000 -117.764 -128.65 123.258 -130.661 -122.367 -35.1493 131.965 -1.06652 -145.675 PRESSAVG: 483000 43.9444 34.5656 12.074 34.5655 -25.0482 0.809079 12.074 0.809087 -15.6337 GPRESSAVG: 483000 44.16 31.6629 9.58987 37.0686 -24.85 2.00728 14.658 1.13085 -16.197 TIMING: 483000 CPU: 1395.41, 0.0029132/step Wall: 1395.41, 0.0029132/step, 3.65526 hours remaining, 205.570312 MB of memory in use. ENERGY: 483000 753.0924 2101.3358 1960.7181 112.4222 -205962.1655 17481.1799 0.0000 0.0000 34230.3673 -149323.0500 298.9423 -183553.4172 -149230.1838 299.1801 -160.2370 -128.6017 557954.6401 1.0875 1.0377 PRESSURE: 483200 502.418 99.6617 103.506 99.6621 148.811 -63.7036 103.507 -63.7033 313.09 GPRESSURE: 483200 545.939 167.038 -9.49047 130.916 201.749 -165.463 161.355 22.5189 311.706 PRESSAVG: 483200 11.7513 -4.91876 8.16046 -4.9187 -36.2022 -55.3844 8.16052 -55.3843 66.3431 GPRESSAVG: 483200 10.6205 -3.59464 12.0596 -4.44051 -36.7366 -56.1711 4.81684 -55.1403 67.8415 TIMING: 483200 CPU: 1395.99, 0.00288529/step Wall: 1395.99, 0.00288529/step, 3.62008 hours remaining, 205.570312 MB of memory in use. ENERGY: 483200 716.9855 2126.1586 1945.2305 118.3118 -206648.9308 18305.7538 0.0000 0.0000 34101.9306 -149334.5601 297.8206 -183436.4907 -149243.9129 298.6681 321.4399 353.1316 556535.5785 13.9641 13.9085 PRESSURE: 483400 -52.0534 -82.4288 17.69 -82.4301 -191.658 76.0546 17.6899 76.0542 169.749 GPRESSURE: 483400 18.4762 -99.5213 43.0913 -41.6421 -151.017 2.42231 39.6236 145.361 177.525 PRESSAVG: 483400 43.5149 8.06308 57.0496 8.063 -18.7404 -70.869 57.0496 -70.8689 14.4372 GPRESSAVG: 483400 45.2811 6.12944 54.0505 7.4916 -19.0723 -70.7793 58.4743 -71.4403 13.6673 TIMING: 483400 CPU: 1396.57, 0.00291257/step Wall: 1396.57, 0.00291257/step, 3.65414 hours remaining, 205.578125 MB of memory in use. ENERGY: 483400 759.7900 2095.4190 1945.5083 103.6848 -205974.9143 17574.9076 0.0000 0.0000 34243.0008 -149252.6038 299.0526 -183495.6046 -149156.9086 299.5305 -24.6542 14.9946 554768.7138 13.0706 13.2920 PRESSURE: 483600 -284.553 -140.356 -52.5173 -140.356 -201.627 -74.7781 -52.5167 -74.7789 210.409 GPRESSURE: 483600 -241.049 -157.72 -66.4919 -60.4076 -164.919 -138.858 -21.7205 -30.5354 218.094 PRESSAVG: 483600 -38.4582 7.6304 -19.9262 7.63038 -24.3183 7.65261 -19.9261 7.65265 46.6459 GPRESSAVG: 483600 -39.9312 10.8719 -18.4137 4.11029 -24.3701 7.30386 -19.5911 7.39811 48.3473 TIMING: 483600 CPU: 1397.15, 0.00290282/step Wall: 1397.15, 0.00290282/step, 3.64175 hours remaining, 205.578125 MB of memory in use. ENERGY: 483600 723.4820 2174.6612 1970.8779 107.7890 -205715.9580 17515.7253 0.0000 0.0000 34139.3905 -149084.0321 298.1478 -183223.4227 -148989.9681 299.5954 -91.9241 -62.6248 556759.8537 -5.3768 -5.3180 PRESSURE: 483800 -165.016 11.8942 -112.854 11.8947 -79.1339 219.588 -112.853 219.586 -10.3312 GPRESSURE: 483800 -81.6558 92.0574 -134.171 -74.9051 -74.2164 237.934 -53.7432 199.024 -1.09759 PRESSAVG: 483800 10.4495 4.02684 16.3617 4.0268 -71.4468 45.6316 16.3617 45.6316 32.6831 GPRESSAVG: 483800 11.8249 2.61888 15.2057 5.85408 -71.4581 47.2612 16.9068 45.4368 31.7631 TIMING: 483800 CPU: 1397.73, 0.00289319/step Wall: 1397.73, 0.00289319/step, 3.6295 hours remaining, 205.578125 MB of memory in use. ENERGY: 483800 776.6053 2136.1715 1951.3521 105.6667 -206176.4865 17647.7766 0.0000 0.0000 34272.5213 -149286.3928 299.3105 -183558.9142 -149193.8235 299.3420 -84.8269 -52.3233 555825.8886 -9.4381 -9.2900 PRESSURE: 484000 50.2604 32.5227 -177.957 32.5233 6.06088 98.9554 -177.957 98.9548 311.599 GPRESSURE: 484000 96.9243 20.0709 -197.999 2.56809 28.3466 170.437 -42.7112 55.958 327.73 PRESSAVG: 484000 20.6445 22.3603 59.8328 22.3603 9.22094 34.1981 59.8329 34.198 4.35763 GPRESSAVG: 484000 20.0089 21.4759 58.2303 23.9553 9.97666 31.5467 60.8124 36.1324 4.81137 TIMING: 484000 CPU: 1398.31, 0.00287983/step Wall: 1398.31, 0.00287983/step, 3.61259 hours remaining, 205.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 484000 764.8964 2073.3670 1959.0489 123.5377 -206288.1187 17855.0438 0.0000 0.0000 34299.5844 -149212.6404 299.5468 -183512.2248 -149116.5196 299.2898 122.6400 151.0003 556407.5718 11.4077 11.5990 PRESSURE: 484200 -193.771 112.036 25.7144 112.035 -181.04 -73.5853 25.7156 -73.5859 -32.5253 GPRESSURE: 484200 -122.15 86.1662 126.517 97.689 -185.601 -125.945 -20.3773 -114.583 12.8395 PRESSAVG: 484200 53.6428 91.9856 -22.0119 91.9857 -29.416 -7.05573 -22.0119 -7.05561 21.7613 GPRESSAVG: 484200 53.9578 94.1332 -21.1968 88.8071 -29.4972 -2.40884 -23.1918 -9.97165 21.8251 TIMING: 484200 CPU: 1398.88, 0.00288982/step Wall: 1398.88, 0.00288982/step, 3.62496 hours remaining, 205.578125 MB of memory in use. ENERGY: 484200 730.0692 2099.1987 1951.2969 117.5049 -205890.9877 17378.7555 0.0000 0.0000 34306.3441 -149307.8185 299.6058 -183614.1626 -149209.6024 299.3176 -135.7789 -98.3039 556104.3162 15.3294 15.4286 LDB: ============= START OF LOAD BALANCING ============== 1402.27 LDB: ============== END OF LOAD BALANCING =============== 1402.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1402.27 LDB: ============= START OF LOAD BALANCING ============== 1402.56 LDB: Largest compute 4822 load 0.027983 is 23.7% of average load 0.117903 LDB: Average compute 0.001723 is 1.5% of average load 0.117903 LDB: TIME 1402.56 LOAD: AVG 0.117903 MAX 0.18 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.57 MB LDB: TIME 1402.56 LOAD: AVG 0.117903 MAX 0.18 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: TIME 1402.56 LOAD: AVG 0.117903 MAX 0.18 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1402.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1402.57 PRESSURE: 484400 -178.143 97.4541 -147.857 97.4545 -157.296 36.5994 -147.856 36.6001 -120.112 GPRESSURE: 484400 -133.013 56.2973 -194.219 117.637 -96.2176 -19.1885 -136.923 51.0272 -120.149 PRESSAVG: 484400 0.963872 47.6169 7.23411 47.6169 -12.21 -42.3178 7.23406 -42.3178 21.0678 GPRESSAVG: 484400 1.52302 45.6358 8.47428 49.4468 -12.583 -45.3386 9.02448 -41.7711 20.9552 TIMING: 484400 CPU: 1399.47, 0.00294456/step Wall: 1399.47, 0.00294456/step, 3.69346 hours remaining, 207.113281 MB of memory in use. ENERGY: 484400 725.0108 2056.5126 1943.4157 112.7144 -206079.1719 17419.2580 0.0000 0.0000 34339.5576 -149482.7027 299.8959 -183822.2603 -149382.3911 298.8697 -151.8504 -116.4598 555298.0362 3.2739 3.2984 PRESSURE: 484600 18.3264 -13.0484 78.2712 -13.0486 -15.7464 54.2526 78.2705 54.2525 0.226147 GPRESSURE: 484600 84.7511 -20.8017 79.7061 -17.1087 5.63854 147.67 72.5342 11.3902 12.6572 PRESSAVG: 484600 16.4423 15.3742 12.9223 15.3742 -62.1031 -52.6547 12.9224 -52.6548 35.5358 GPRESSAVG: 484600 15.3923 15.4399 11.7286 15.0313 -61.0531 -53.7253 10.313 -52.7465 35.8691 TIMING: 484600 CPU: 1400.05, 0.00288865/step Wall: 1400.05, 0.00288865/step, 3.62317 hours remaining, 207.371094 MB of memory in use. ENERGY: 484600 738.4124 2060.0691 1946.5479 95.8303 -206276.6974 17743.9436 0.0000 0.0000 34214.1298 -149477.7643 298.8005 -183691.8941 -149383.7558 298.6929 0.9354 34.3490 556182.2883 -3.3750 -3.2639 PRESSURE: 484800 -26.9051 -10.7286 59.4118 -10.7302 200.167 -189.116 59.4113 -189.116 -121.374 GPRESSURE: 484800 -24.2811 -5.90792 156.543 -23.5044 171.029 -260.767 -19.0827 -165.904 -3.59747 PRESSAVG: 484800 -40.4706 -15.2511 -20.2012 -15.251 16.3801 -22.7278 -20.2012 -22.7278 56.5152 GPRESSAVG: 484800 -40.3673 -15.3464 -19.5873 -16.8314 16.2255 -21.9902 -18.3515 -21.0829 56.6869 TIMING: 484800 CPU: 1400.63, 0.00290603/step Wall: 1400.63, 0.00290603/step, 3.64481 hours remaining, 207.656250 MB of memory in use. ENERGY: 484800 744.8521 2067.0512 1920.7312 123.4264 -206443.8519 17787.9821 0.0000 0.0000 34337.8794 -149461.9295 299.8812 -183799.8089 -149362.9466 298.4876 17.2957 47.7167 556766.6218 10.8082 10.8484 PRESSURE: 485000 14.7247 -138.673 2.40268 -138.673 307.729 -31.8189 2.40257 -31.8187 174.581 GPRESSURE: 485000 91.9801 -138.43 -51.4294 -67.2472 362.818 -8.56465 -15.0352 -48.3055 153.689 PRESSAVG: 485000 -72.6058 -33.1454 19.9975 -33.1454 72.1112 -26.6416 19.9975 -26.6414 -1.97023 GPRESSAVG: 485000 -71.0645 -33.8228 20.0185 -31.6175 71.4684 -27.4448 18.0351 -28.0398 -3.17025 TIMING: 485000 CPU: 1401.21, 0.00290417/step Wall: 1401.21, 0.00290417/step, 3.64231 hours remaining, 207.656250 MB of memory in use. ENERGY: 485000 726.0243 2066.3398 1946.3763 116.7645 -206466.2045 17956.7113 0.0000 0.0000 34097.2140 -149556.7744 297.7795 -183653.9884 -149459.8137 298.5250 165.6784 202.8290 557153.1742 -0.8216 -0.9221 PRESSURE: 485200 -222.555 147.821 32.4797 147.82 11.9573 -173.566 32.4787 -173.566 253.041 GPRESSURE: 485200 -189.411 119.841 66.0441 172.258 -5.90024 -200.643 -4.59279 -227.195 341.261 PRESSAVG: 485200 2.79122 9.27017 -23.7445 9.27031 10.6487 -1.53905 -23.7444 -1.53902 -27.3874 GPRESSAVG: 485200 1.04505 10.4051 -23.8152 10.5222 12.3943 0.6501 -21.8286 -1.67363 -27.2069 TIMING: 485200 CPU: 1401.8, 0.00291514/step Wall: 1401.8, 0.00291514/step, 3.65591 hours remaining, 207.656250 MB of memory in use. ENERGY: 485200 709.1177 2070.3913 1923.0112 104.2735 -206453.5967 17965.5270 0.0000 0.0000 34108.4532 -149572.8229 297.8776 -183681.2761 -149479.7888 297.8086 14.1478 48.6497 557555.5221 -4.6492 -4.5892 PRESSURE: 485400 90 217.015 64.4292 217.014 -218.712 -163.053 64.4283 -163.053 -118.876 GPRESSURE: 485400 179.622 216.09 51.1947 198.128 -170.735 -208.412 38.0339 -132.447 -159.072 PRESSAVG: 485400 7.64873 55.2995 21.4741 55.2996 49.668 -35.7583 21.4743 -35.7583 -46.9164 GPRESSAVG: 485400 8.21239 56.6663 22.0972 50.5781 48.2208 -36.0594 19.529 -36.894 -46.6664 TIMING: 485400 CPU: 1402.38, 0.00291338/step Wall: 1402.38, 0.00291338/step, 3.65354 hours remaining, 207.656250 MB of memory in use. ENERGY: 485400 728.3870 2026.4848 1950.3469 116.0994 -206229.5774 17623.8553 0.0000 0.0000 34083.0699 -149701.3342 297.6559 -183784.4041 -149608.5500 298.2194 -82.5296 -50.0616 557359.8284 3.4668 3.2556 PRESSURE: 485600 -199.16 163.856 -53.9969 163.857 -65.7535 -16.3105 -53.9975 -16.3107 59.0067 GPRESSURE: 485600 -123.397 134.392 -6.14588 134.757 -119.817 66.6552 -42.5763 23.827 137.482 PRESSAVG: 485600 -1.89876 18.5882 40.6933 18.588 -29.0692 -12.3451 40.6932 -12.3452 65.9589 GPRESSAVG: 485600 -1.3534 16.9553 39.7596 20.2944 -29.6012 -14.6797 42.2812 -11.725 66.4137 TIMING: 485600 CPU: 1402.96, 0.00290258/step Wall: 1402.96, 0.00290258/step, 3.63984 hours remaining, 207.656250 MB of memory in use. ENERGY: 485600 735.3890 2033.6237 1966.0117 123.8354 -206554.0490 17788.6543 0.0000 0.0000 34064.3402 -149842.1947 297.4924 -183906.5349 -149741.3401 297.7372 -68.6356 -35.2440 557470.5401 11.6636 11.8197 PRESSURE: 485800 -192.136 -50.3987 -47.2951 -50.3979 61.6674 -57.5525 -47.2956 -57.55 32.8182 GPRESSURE: 485800 -144.714 -61.6943 -92.6121 -17.5738 60.5074 -30.7345 -2.31252 -61.2858 84.8096 PRESSAVG: 485800 28.6689 7.86806 -53.6256 7.86806 -38.4739 26.2724 -53.6257 26.2725 39.2389 GPRESSAVG: 485800 29.079 11.2709 -54.4779 7.92256 -37.9459 27.4057 -52.9504 25.2627 38.6125 TIMING: 485800 CPU: 1403.54, 0.00292201/step Wall: 1403.54, 0.00292201/step, 3.66404 hours remaining, 207.656250 MB of memory in use. ENERGY: 485800 755.4312 2075.7302 1926.1686 103.8592 -206864.5209 18018.0323 0.0000 0.0000 33977.6833 -150007.6161 296.7356 -183985.2994 -149912.8670 296.7766 -32.5500 0.2008 557586.3871 9.8113 9.9152 PRESSURE: 486000 -21.0966 -12.3689 -10.5642 -12.3685 129.867 0.192027 -10.5641 0.191486 117.063 GPRESSURE: 486000 38.4288 87.7851 36.4832 11.2737 149.622 54.1403 -3.43241 -118.488 144.522 PRESSAVG: 486000 63.9004 -5.68874 -52.4322 -5.68866 -24.9199 26.3 -52.4323 26.3 -27.9868 GPRESSAVG: 486000 63.7984 -4.85792 -52.9226 -7.09008 -24.6945 25.3699 -52.0944 28.5114 -27.9054 TIMING: 486000 CPU: 1404.13, 0.00293323/step Wall: 1404.13, 0.00293323/step, 3.67794 hours remaining, 207.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 486000 695.9245 2072.7702 1958.6315 100.8743 -207088.7720 18107.3684 0.0000 0.0000 33946.4554 -150206.7476 296.4628 -184153.2030 -150110.8764 296.5140 75.2778 110.8576 556451.9560 3.6646 3.7329 PRESSURE: 486200 -91.1473 76.9277 253.558 76.9287 -93.7838 125.829 253.559 125.83 -195.321 GPRESSURE: 486200 -77.5915 -10.6216 247.256 70.4405 -55.391 65.5647 310.03 118.475 -158.32 PRESSAVG: 486200 75.4946 16.3537 -44.2909 16.3538 -21.9207 36.5076 -44.291 36.5075 -81.2723 GPRESSAVG: 486200 75.0488 12.9641 -44.1849 19.5258 -22.8757 36.8348 -43.2484 33.6571 -80.6984 TIMING: 486200 CPU: 1404.71, 0.00291398/step Wall: 1404.71, 0.00291398/step, 3.65365 hours remaining, 207.656250 MB of memory in use. ENERGY: 486200 735.7930 2053.1094 1957.2406 102.7125 -206674.1431 17805.8212 0.0000 0.0000 33805.9574 -150213.5090 295.2358 -184019.4664 -150123.6684 296.3613 -126.7507 -97.1008 557175.3436 -9.2328 -9.5085 PRESSURE: 486400 -200.855 -100.041 62.3386 -100.044 -22.6518 64.9198 62.3395 64.9202 -140.521 GPRESSURE: 486400 -144.597 -2.20319 101.366 -95.0763 -31.9606 -50.8405 20.4351 135.811 -82.7371 PRESSAVG: 486400 -30.2287 64.0365 73.0033 64.0365 59.7291 4.71437 73.0034 4.71446 -67.8975 GPRESSAVG: 486400 -31.0045 64.4652 75.2574 63.3996 60.4905 3.63516 71.6096 7.9532 -67.8423 TIMING: 486400 CPU: 1405.3, 0.00291193/step Wall: 1405.3, 0.00291193/step, 3.65091 hours remaining, 207.656250 MB of memory in use. ENERGY: 486400 718.1459 2091.8164 1945.4942 118.0641 -206990.1052 17847.6996 0.0000 0.0000 34197.1214 -150071.7637 298.6520 -184268.8851 -149979.8294 296.7766 -121.3425 -86.4317 557590.4215 -12.7990 -12.7854 PRESSURE: 486600 33.795 -44.5638 -37.1694 -44.5641 -211.563 37.6948 -37.1688 37.6931 396.747 GPRESSURE: 486600 46.975 -63.9602 -0.167295 -37.1076 -204.162 54.5927 -14.7799 5.52106 476.83 PRESSAVG: 486600 -10.7532 15.6696 16.5288 15.6696 41.6758 77.9141 16.5289 77.914 -25.3745 GPRESSAVG: 486600 -9.80218 17.6938 14.6188 14.6334 41.2939 76.7131 18.0775 77.7601 -26.0826 TIMING: 486600 CPU: 1405.88, 0.00292263/step Wall: 1405.88, 0.00292263/step, 3.66417 hours remaining, 207.656250 MB of memory in use. ENERGY: 486600 731.8755 2063.9869 1957.4406 104.9561 -206894.2420 17963.2903 0.0000 0.0000 33998.9752 -150073.7172 296.9215 -184072.6925 -149978.6662 297.0304 72.9931 106.5479 556651.1632 1.8494 1.8031 PRESSURE: 486800 58.6906 -95.2248 -36.5219 -95.2251 167.866 -29.7803 -36.5221 -29.7812 -54.0132 GPRESSURE: 486800 78.3604 -124.121 1.1647 -139.975 203.942 -40.5788 -47.899 -18.9462 -17.9729 PRESSAVG: 486800 -0.160511 4.22588 48.2716 4.22587 17.1765 34.6888 48.2717 34.6887 -2.52682 GPRESSAVG: 486800 -1.77711 3.52861 48.5734 2.62433 18.309 37.2213 48.0091 34.0373 -2.50783 TIMING: 486800 CPU: 1406.46, 0.00290251/step Wall: 1406.46, 0.00290251/step, 3.63878 hours remaining, 207.656250 MB of memory in use. ENERGY: 486800 732.5361 2066.1854 1957.1788 109.4233 -206831.6991 17897.3178 0.0000 0.0000 34088.6550 -149980.4027 297.7047 -184069.0577 -149879.0743 297.5458 57.5146 88.1100 556619.2354 4.8297 4.6747 PRESSURE: 487000 -212.597 36.1984 10.8975 36.1986 -120.946 -97.8073 10.8977 -97.8081 107.052 GPRESSURE: 487000 -142.888 19.9113 -9.14673 -70.5565 -106.715 -47.84 51.739 -108.438 126.306 PRESSAVG: 487000 -36.8145 -10.3911 59.579 -10.3912 61.3484 -30.9621 59.579 -30.9622 -40.8075 GPRESSAVG: 487000 -36.2563 -9.85294 60.1251 -8.4466 59.289 -32.3904 57.587 -29.1964 -38.5028 TIMING: 487000 CPU: 1407.04, 0.00291337/step Wall: 1407.04, 0.00291337/step, 3.65223 hours remaining, 207.656250 MB of memory in use. ENERGY: 487000 737.0997 2042.9747 1965.9477 114.6523 -206498.5798 17674.6304 0.0000 0.0000 34036.8622 -149926.4127 297.2524 -183963.2750 -149833.8665 296.9071 -75.4969 -41.0990 554544.3803 -5.4245 -5.1567 PRESSURE: 487200 268.429 86.1924 110.831 86.1927 105.47 -103.63 110.831 -103.631 -180.14 GPRESSURE: 487200 308.48 106.29 83.7532 36.5999 161.398 -110.97 64.4993 -82.7305 -186.142 PRESSAVG: 487200 15.6301 6.20071 -5.17772 6.2007 1.27968 16.4916 -5.1777 16.4916 -4.61552 GPRESSAVG: 487200 16.2853 5.84563 -3.9971 4.70976 1.99076 17.2198 -4.82199 15.5501 -5.5231 TIMING: 487200 CPU: 1407.63, 0.00290799/step Wall: 1407.63, 0.00290799/step, 3.64532 hours remaining, 207.656250 MB of memory in use. ENERGY: 487200 716.5419 2074.1498 1934.0657 112.8730 -206550.4314 17869.8301 0.0000 0.0000 34100.1338 -149742.8370 297.8050 -183842.9708 -149652.0137 297.5611 64.5862 94.5786 555425.7267 4.0981 4.2510 PRESSURE: 487400 -77.3596 3.76342 -32.354 3.76321 -344.042 -83.29 -32.355 -83.2897 -48.3266 GPRESSURE: 487400 -96.0141 -24.7059 -20.8036 -28.5906 -274.474 13.3251 -82.7122 -79.3771 -0.171995 PRESSAVG: 487400 23.1436 28.3487 3.24571 28.3487 -4.40661 11.2039 3.24569 11.2038 1.50169 GPRESSAVG: 487400 23.7504 27.3356 0.575502 28.8899 -4.47393 11.9085 3.69921 10.6173 0.641313 TIMING: 487400 CPU: 1408.2, 0.00287872/step Wall: 1408.2, 0.00287872/step, 3.60848 hours remaining, 207.656250 MB of memory in use. ENERGY: 487400 764.3274 2038.4719 1955.2857 109.3992 -206062.8807 17554.8284 0.0000 0.0000 33980.3352 -149660.2330 296.7587 -183640.5681 -149568.2087 298.3989 -156.5762 -123.5533 557011.2919 6.7462 6.6392 PRESSURE: 487600 -109.654 -16.263 24.6424 -16.2615 -78.6212 -57.7122 24.642 -57.7123 -73.5424 GPRESSURE: 487600 -52.4158 -45.4057 4.51541 52.5384 -80.6911 -24.3376 46.6322 -79.4232 -30.029 PRESSAVG: 487600 -30.2601 -28.9104 -34.6076 -28.9103 -22.1213 23.3911 -34.6076 23.3911 41.463 GPRESSAVG: 487600 -32.0984 -29.107 -33.6848 -27.9198 -22.228 22.0232 -35.7776 23.7839 43.3896 TIMING: 487600 CPU: 1408.78, 0.00289302/step Wall: 1408.78, 0.00289302/step, 3.62625 hours remaining, 207.656250 MB of memory in use. ENERGY: 487600 730.3601 2050.0542 1976.2445 113.7037 -206272.6895 17559.4776 0.0000 0.0000 34308.7040 -149534.1454 299.6264 -183842.8493 -149434.3252 298.7037 -87.2726 -54.3787 554812.3322 -3.6395 -3.6456 PRESSURE: 487800 -119.202 -96.8027 60.2965 -96.8036 -100.019 -19.6842 60.2962 -19.6844 66.5322 GPRESSURE: 487800 -29.314 -66.684 103.809 -152.616 -48.3049 -65.1232 97.6688 56.1863 17.5006 PRESSAVG: 487800 3.95558 22.7125 26.0087 22.7126 -1.03514 0.890204 26.0087 0.890262 -5.5205 GPRESSAVG: 487800 6.18539 23.9092 26.001 23.0427 -0.289573 3.27211 25.3413 -0.772961 -8.98136 TIMING: 487800 CPU: 1409.36, 0.002885/step Wall: 1409.36, 0.00288499/step, 3.61602 hours remaining, 207.656250 MB of memory in use. ENERGY: 487800 779.6804 2097.4779 1947.6948 118.0598 -206181.4134 17810.8316 0.0000 0.0000 34052.9933 -149374.6757 297.3933 -183427.6690 -149284.4586 298.6536 -50.8964 -20.0394 556177.4627 -0.8667 -1.0285 PRESSURE: 488000 -9.27343 156.459 95.8738 156.459 199.919 -103.779 95.8726 -103.778 200.847 GPRESSURE: 488000 12.0915 164.673 128.043 71.2339 252.666 -43.6573 170.923 -45.2885 240.935 PRESSAVG: 488000 15.9944 4.18392 36.4195 4.18393 56.8543 39.7692 36.4195 39.7691 16.5554 GPRESSAVG: 488000 15.6818 3.72277 36.9012 2.43943 55.737 39.1138 37.872 39.8152 18.2941 TIMING: 488000 CPU: 1409.94, 0.00289778/step Wall: 1409.94, 0.00289778/step, 3.63188 hours remaining, 207.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 488000 704.0744 2087.3875 1936.3739 103.1854 -206271.2467 17855.7344 0.0000 0.0000 34283.0704 -149301.4208 299.4026 -183584.4912 -149209.7462 299.3923 130.4976 168.5643 556268.6304 29.8014 29.9043 PRESSURE: 488200 -260.503 144.656 81.8274 144.656 -23.5762 85.2837 81.8267 85.2824 69.0784 GPRESSURE: 488200 -249.3 173.992 31.518 156.504 25.8807 54.7488 4.62385 65.2902 101.368 PRESSAVG: 488200 -76.5046 13.37 -9.28138 13.37 20.9914 10.0187 -9.28136 10.0187 53.3961 GPRESSAVG: 488200 -77.014 10.7856 -11.0348 14.3253 22.2422 9.84669 -9.95108 11.7042 52.607 TIMING: 488200 CPU: 1410.51, 0.0028823/step Wall: 1410.51, 0.00288231/step, 3.61233 hours remaining, 207.656250 MB of memory in use. ENERGY: 488200 750.5574 2077.6878 1937.6262 110.0343 -206214.1056 17712.2660 0.0000 0.0000 34166.0905 -149459.8434 298.3810 -183625.9339 -149367.2963 299.0343 -71.6670 -40.6838 555827.0027 -0.7057 -0.7216 LDB: ============= START OF LOAD BALANCING ============== 1413.9 LDB: ============== END OF LOAD BALANCING =============== 1413.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1413.9 LDB: ============= START OF LOAD BALANCING ============== 1414.19 LDB: Largest compute 4822 load 0.028703 is 24.3% of average load 0.117904 LDB: Average compute 0.001711 is 1.5% of average load 0.117904 LDB: TIME 1414.19 LOAD: AVG 0.117904 MAX 0.18231 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.938 MB LDB: TIME 1414.19 LOAD: AVG 0.117904 MAX 0.18231 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.137 MB LDB: TIME 1414.19 LOAD: AVG 0.117904 MAX 0.18231 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.137 MB LDB: ============== END OF LOAD BALANCING =============== 1414.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1414.2 PRESSURE: 488400 40.797 51.4099 -2.97657 51.4098 0.318382 58.5587 -2.97727 58.5586 -166.709 GPRESSURE: 488400 68.4941 139.513 41.2052 -24.1784 31.0582 -2.94371 -14.5898 60.3839 -141.062 PRESSAVG: 488400 -44.826 -62.6494 15.9727 -62.6493 16.0358 4.3753 15.9727 4.37526 22.6527 GPRESSAVG: 488400 -44.0246 -62.0243 18.5383 -63.0667 14.9793 4.10393 15.9578 3.13653 22.701 TIMING: 488400 CPU: 1411.1, 0.00295166/step Wall: 1411.1, 0.00295166/step, 3.69909 hours remaining, 207.070312 MB of memory in use. ENERGY: 488400 749.7488 2055.4336 1935.6351 116.5148 -206280.0099 17847.2878 0.0000 0.0000 34245.3408 -149330.0489 299.0731 -183575.3897 -149229.3150 297.8411 -41.8645 -13.8366 556628.6771 -2.0458 -2.1148 PRESSURE: 488600 343.684 4.06248 153.58 4.06222 312.191 -84.045 153.578 -84.0439 125.497 GPRESSURE: 488600 382.543 25.8307 168.493 -22.9773 330.034 6.11487 130.49 -52.4706 163.811 PRESSAVG: 488600 -11.7265 -60.759 -12.4707 -60.7589 29.2776 39.8928 -12.4708 39.8928 -2.08974 GPRESSAVG: 488600 -11.853 -60.1424 -11.9135 -59.7445 29.4916 39.8966 -12.0959 39.7005 -2.494 TIMING: 488600 CPU: 1411.68, 0.00289271/step Wall: 1411.68, 0.00289271/step, 3.62505 hours remaining, 207.273438 MB of memory in use. ENERGY: 488600 745.7776 2071.3295 1934.9321 115.8685 -206976.5524 18233.6829 0.0000 0.0000 34478.8607 -149396.1013 301.1125 -183874.9619 -149302.9397 299.3766 260.4573 292.1297 555418.8449 5.1538 5.0482 PRESSURE: 488800 33.0198 14.2053 -44.5308 14.2038 107.846 -14.5579 -44.53 -14.5599 -73.5438 GPRESSURE: 488800 42.578 35.2794 61.3603 -1.6715 206.241 -40.7692 -147.101 -64.613 -87.8713 PRESSAVG: 488800 -94.4947 -64.1803 17.2302 -64.1803 19.6398 -11.2049 17.2301 -11.2048 64.9425 GPRESSAVG: 488800 -95.1287 -65.3516 16.4816 -62.8996 18.7832 -12.2627 16.9875 -10.553 66.0775 TIMING: 488800 CPU: 1412.26, 0.00290703/step Wall: 1412.26, 0.00290703/step, 3.64284 hours remaining, 207.273438 MB of memory in use. ENERGY: 488800 782.4075 2092.7739 1944.3886 108.6794 -206654.0228 18018.9467 0.0000 0.0000 34267.4986 -149439.3281 299.2666 -183706.8267 -149341.2037 299.6007 22.4407 53.6493 556606.4575 -3.3042 -3.4227 PRESSURE: 489000 19.5425 -10.3092 -6.8868 -10.3098 263.42 -22.4562 -6.88687 -22.456 315.686 GPRESSURE: 489000 126.727 97.3535 25.8237 -108.797 190.561 38.3446 -53.3007 7.13621 369.882 PRESSAVG: 489000 -34.9285 -48.91 3.13189 -48.9099 40.0587 40.9302 3.13186 40.9302 4.45406 GPRESSAVG: 489000 -34.8338 -48.3287 2.07471 -49.9834 39.8078 41.488 4.90396 40.176 4.6327 TIMING: 489000 CPU: 1412.84, 0.00290341/step Wall: 1412.84, 0.00290341/step, 3.63814 hours remaining, 207.273438 MB of memory in use. ENERGY: 489000 744.5369 2079.2772 1930.8641 130.0557 -206506.4694 18120.2494 0.0000 0.0000 34106.1970 -149395.2891 297.8579 -183501.4861 -149296.5121 297.8114 199.5493 229.0568 555378.1226 3.1948 3.2022 PRESSURE: 489200 210.619 -69.1723 -95.2219 -69.1736 69.9002 56.0282 -95.2214 56.0274 137.601 GPRESSURE: 489200 188.502 -8.17024 -84.548 -137.333 98.2139 86.1344 -140.629 32.9573 226.853 PRESSAVG: 489200 14.7501 -79.0908 -58.305 -79.0908 -0.974735 26.8073 -58.305 26.8073 13.5092 GPRESSAVG: 489200 15.6562 -77.831 -59.0614 -78.1427 0.0193237 25.4778 -58.6891 26.8743 11.129 TIMING: 489200 CPU: 1413.42, 0.00290449/step Wall: 1413.42, 0.00290449/step, 3.63933 hours remaining, 207.273438 MB of memory in use. ENERGY: 489200 767.2052 2087.1646 1929.7122 117.5959 -206493.9301 18172.3714 0.0000 0.0000 34257.2096 -149162.6713 299.1767 -183419.8809 -149061.7539 299.3044 139.3736 171.1898 556635.7946 9.0948 8.9348 PRESSURE: 489400 -215.393 130.688 122.449 130.688 -136.628 -24.2406 122.449 -24.2389 -304.516 GPRESSURE: 489400 -132.633 128.86 145.181 142.945 -94.5179 -62.5018 106.784 -63.1293 -331.599 PRESSAVG: 489400 -29.3187 19.4789 19.2933 19.4789 19.8478 51.9994 19.2933 51.9993 16.179 GPRESSAVG: 489400 -30.7276 16.5717 19.8685 19.9844 18.2672 52.8116 18.6323 52.5344 18.7053 TIMING: 489400 CPU: 1414, 0.0028849/step Wall: 1414, 0.0028849/step, 3.61463 hours remaining, 207.273438 MB of memory in use. ENERGY: 489400 785.8514 2069.5093 1963.3137 112.0781 -205907.4051 17580.5766 0.0000 0.0000 34325.7295 -149070.3465 299.7751 -183396.0760 -148972.4987 300.2266 -218.8457 -186.2500 556435.8320 2.2360 2.0816 PRESSURE: 489600 -127.469 204.756 -9.50863 204.757 -0.0709523 -59.0441 -9.50848 -59.043 -32.1505 GPRESSURE: 489600 -69.4798 197.391 -25.7129 200.761 -10.5907 27.5516 -55.9083 -97.2778 6.77652 PRESSAVG: 489600 -2.43302 22.3045 13.5506 22.3045 29.3848 13.3464 13.5506 13.3464 -28.8271 GPRESSAVG: 489600 -1.8683 25.2993 12.9039 20.848 30.532 13.2915 13.8451 13.8408 -30.5358 TIMING: 489600 CPU: 1414.58, 0.00290167/step Wall: 1414.58, 0.00290167/step, 3.63548 hours remaining, 207.273438 MB of memory in use. ENERGY: 489600 800.5110 2139.4923 1968.5151 115.4468 -206397.0418 17834.3776 0.0000 0.0000 34385.1601 -149153.5389 300.2942 -183538.6990 -149050.6096 300.3247 -53.2301 -24.4313 557095.9600 -0.6251 -0.6240 PRESSURE: 489800 -87.1416 -140.275 -1.93472 -140.275 -83.3556 95.3426 -1.934 95.3418 -79.808 GPRESSURE: 489800 -37.8702 -236.994 40.9165 -157.69 -47.4153 139.27 -5.62254 124.422 -60.4076 PRESSAVG: 489800 -61.4847 -4.20701 48.9326 -4.20707 42.0417 28.3002 48.9326 28.3004 -0.681596 GPRESSAVG: 489800 -61.6143 -4.44582 48.9215 -4.66849 41.877 30.4553 49.5468 26.0223 -0.0720403 TIMING: 489800 CPU: 1415.16, 0.00290169/step Wall: 1415.16, 0.00290169/step, 3.63534 hours remaining, 207.273438 MB of memory in use. ENERGY: 489800 729.6784 2083.7564 1969.2506 114.1460 -205798.3021 17630.0082 0.0000 0.0000 34121.3010 -149150.1615 297.9898 -183271.4625 -149044.4337 299.6253 -83.4351 -48.5644 558295.2165 -6.7082 -6.6031 PRESSURE: 490000 -231.322 28.9593 -102.712 28.9574 -179.428 -17.8271 -102.712 -17.8269 -100.219 GPRESSURE: 490000 -202.33 20.7857 -99.9905 68.1761 -147.938 -31.0533 -139.424 31.2857 -63.2848 PRESSAVG: 490000 -11.709 50.3029 53.919 50.303 46.4437 28.2018 53.919 28.2018 -7.09808 GPRESSAVG: 490000 -12.0155 47.1288 52.6289 53.5706 46.532 26.3401 55.6804 28.3465 -6.75836 TIMING: 490000 CPU: 1415.75, 0.00292086/step Wall: 1415.75, 0.00292086/step, 3.65919 hours remaining, 207.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 490000 806.0381 2073.7515 1964.7126 117.1150 -206622.3843 17818.7129 0.0000 0.0000 34444.5325 -149397.5216 300.8127 -183842.0541 -149305.1899 299.6845 -170.3229 -137.8508 557407.0919 9.2122 9.2527 PRESSURE: 490200 -413.802 47.9929 89.5688 47.9914 -229.931 -114.373 89.5702 -114.374 -121.105 GPRESSURE: 490200 -301.561 39.8042 44.1289 29.6249 -249.365 -142.179 16.0839 -155.277 -115.462 PRESSAVG: 490200 -4.75304 65.2737 28.9479 65.2737 -29.5744 13.9397 28.9479 13.9399 32.23 GPRESSAVG: 490200 -4.55794 66.7014 30.5258 64.3675 -29.8982 12.6786 26.5662 15.4314 32.53 TIMING: 490200 CPU: 1416.33, 0.00289979/step Wall: 1416.33, 0.00289979/step, 3.63263 hours remaining, 207.273438 MB of memory in use. ENERGY: 490200 775.5022 2126.3738 1970.8648 99.5932 -206284.5256 17607.9895 0.0000 0.0000 34266.2650 -149437.9371 299.2558 -183704.2021 -149334.6199 298.6865 -254.9458 -222.1293 559228.7618 -0.6991 -0.6420 PRESSURE: 490400 32.994 5.11045 -157.012 5.10963 -99.1405 -77.719 -157.012 -77.7188 -86.2428 GPRESSURE: 490400 97.6477 1.53711 -101.15 23.6203 -89.1339 -120.685 -179.158 -61.7208 -66.1056 PRESSAVG: 490400 -19.6222 57.6237 -2.75543 57.6237 -7.88907 9.04945 -2.75545 9.04938 19.6008 GPRESSAVG: 490400 -20.3204 59.6169 -1.62445 55.7282 -7.70359 9.84303 -3.85973 7.36189 19.4977 TIMING: 490400 CPU: 1416.9, 0.00289074/step Wall: 1416.9, 0.00289074/step, 3.62113 hours remaining, 207.273438 MB of memory in use. ENERGY: 490400 736.0214 2128.8725 1958.9494 112.9724 -206171.2109 17920.7248 0.0000 0.0000 34147.7403 -149165.9301 298.2207 -183313.6704 -149072.0327 299.2997 -50.7964 -19.1973 558862.4247 -2.6368 -2.8421 PRESSURE: 490600 46.7509 46.6977 61.9579 46.6986 -37.4229 161.995 61.9567 161.996 40.819 GPRESSURE: 490600 72.2061 8.05434 72.8861 43.1974 18.7919 152.6 53.1452 119.46 51.2188 PRESSAVG: 490600 -55.3757 -42.5951 -19.4038 -42.5951 14.3458 -16.1779 -19.4038 -16.1779 -14.0308 GPRESSAVG: 490600 -54.6317 -45.3784 -19.8277 -41.1321 14.118 -18.5975 -19.1397 -13.7045 -14.1859 TIMING: 490600 CPU: 1417.48, 0.00289156/step Wall: 1417.48, 0.00289156/step, 3.622 hours remaining, 207.273438 MB of memory in use. ENERGY: 490600 740.7638 2122.5978 1938.7107 113.1561 -206211.3230 17695.4556 0.0000 0.0000 34374.2925 -149226.3465 300.1992 -183600.6391 -149134.7584 299.5981 16.7157 47.4056 557298.4961 -18.3536 -18.2332 PRESSURE: 490800 -194.205 24.2489 249.36 24.2486 -72.5702 -66.1848 249.36 -66.1853 -98.3781 GPRESSURE: 490800 -175.144 22.8359 216.768 3.53468 -68.7656 -84.0833 320.562 44.676 -15.716 PRESSAVG: 490800 32.17 -51.7674 35.1317 -51.7674 -3.3934 38.9224 35.1317 38.9224 9.90332 GPRESSAVG: 490800 32.0726 -49.6794 32.627 -53.5623 -3.11914 41.0092 36.8508 36.9195 9.96251 TIMING: 490800 CPU: 1418.06, 0.00288958/step Wall: 1418.06, 0.00288958/step, 3.61936 hours remaining, 207.273438 MB of memory in use. ENERGY: 490800 762.0539 2106.9149 1963.9323 110.1758 -206276.1944 17660.6803 0.0000 0.0000 34239.0045 -149433.4327 299.0177 -183672.4371 -149336.3954 299.4922 -121.7176 -86.5418 557012.2490 12.8933 12.9720 PRESSURE: 491000 7.12318 -48.3326 -64.2945 -48.3322 -224.725 16.8479 -64.2956 16.8487 -235.734 GPRESSURE: 491000 30.6136 -51.4484 -51.2155 -79.426 -178.159 105.96 -87.5159 69.5738 -212.156 PRESSAVG: 491000 -30.512 -19.1284 20.5809 -19.1284 13.9066 -25.1293 20.5807 -25.1293 34.6396 GPRESSAVG: 491000 -30.247 -19.4585 20.8925 -19.5036 13.4709 -23.2304 19.4467 -26.6715 34.564 TIMING: 491000 CPU: 1418.64, 0.00292016/step Wall: 1418.64, 0.00292016/step, 3.65749 hours remaining, 207.273438 MB of memory in use. ENERGY: 491000 712.2942 2092.4225 1954.8477 106.2123 -206094.5707 17580.2799 0.0000 0.0000 34338.7064 -149309.8077 299.8885 -183648.5141 -149207.7849 299.8975 -151.1121 -119.9003 557917.0459 6.0114 5.9293 PRESSURE: 491200 178.998 -56.7423 -65.147 -56.7419 193.413 121.613 -65.1473 121.612 154.403 GPRESSURE: 491200 176.092 2.14235 -110.023 -86.1257 208.078 143.221 -32.4625 101.169 231.362 PRESSAVG: 491200 -37.3696 -22.549 -18.0752 -22.549 12.1442 23.5407 -18.0752 23.5407 18.9081 GPRESSAVG: 491200 -38.855 -22.4248 -16.9748 -22.0214 12.1449 21.177 -17.3675 27.4704 20.3342 TIMING: 491200 CPU: 1419.23, 0.00292702/step Wall: 1419.23, 0.00292702/step, 3.66593 hours remaining, 207.273438 MB of memory in use. ENERGY: 491200 722.6177 2107.7754 1962.6582 104.5771 -206356.6597 18048.2073 0.0000 0.0000 34042.3047 -149368.5193 297.2999 -183410.8240 -149275.5087 299.3439 175.6045 205.1773 557777.2997 -2.1057 -2.1253 PRESSURE: 491400 -231.672 -175.072 -42.0199 -175.072 77.3633 -51.0196 -42.0197 -51.0212 79.3086 GPRESSURE: 491400 -153.062 -177.816 4.90744 -135.514 68.746 -62.6811 -18.8828 -16.0128 105.492 PRESSAVG: 491400 -49.9915 13.4505 -8.62862 13.4505 13.4421 51.5948 -8.62858 51.5948 37.9337 GPRESSAVG: 491400 -49.1241 13.2474 -8.39816 13.5642 13.3871 54.754 -8.35043 50.683 37.2095 TIMING: 491400 CPU: 1419.81, 0.00290513/step Wall: 1419.81, 0.00290513/step, 3.63836 hours remaining, 207.273438 MB of memory in use. ENERGY: 491400 708.6658 2144.8428 1982.2768 117.9408 -206664.1629 17940.1159 0.0000 0.0000 34409.7186 -149360.6023 300.5086 -183770.3209 -149263.9187 298.6904 -25.0000 7.0586 558336.0251 0.4614 0.4909 PRESSURE: 491600 -320.871 26.4739 -49.367 26.4747 -227.589 -24.7238 -49.3669 -24.7235 197.813 GPRESSURE: 491600 -293.723 48.6347 -67.4864 -3.65299 -121.864 48.7984 -23.6236 -81.5584 156.369 PRESSAVG: 491600 -10.8249 -41.0096 2.07918 -41.0095 33.9833 -13.3631 2.07912 -13.3631 -60.7303 GPRESSAVG: 491600 -10.346 -41.2806 1.42417 -40.5139 34.442 -16.5434 1.80775 -12.398 -62.0364 TIMING: 491600 CPU: 1420.39, 0.00288905/step Wall: 1420.39, 0.00288905/step, 3.61806 hours remaining, 207.394531 MB of memory in use. ENERGY: 491600 723.0150 2101.9503 1976.6703 119.4006 -205837.6759 17492.6988 0.0000 0.0000 34055.3015 -149368.6395 297.4134 -183423.9409 -149268.2734 298.7450 -116.8824 -86.4060 557790.1380 -12.5240 -12.6468 PRESSURE: 491800 188.995 48.5804 132.765 48.5801 23.7964 -23.8123 132.766 -23.8134 274.19 GPRESSURE: 491800 232.517 -22.3374 159.604 128.882 44.225 -113.153 135.264 -121.922 316.965 PRESSAVG: 491800 -14.7065 -7.81655 7.67431 -7.81652 43.6976 -52.7126 7.67429 -52.7126 6.69816 GPRESSAVG: 491800 -15.5914 -8.45917 6.83661 -9.46703 44.285 -53.8813 9.29683 -53.7844 7.25503 TIMING: 491800 CPU: 1420.97, 0.00291013/step Wall: 1420.97, 0.00291013/step, 3.64429 hours remaining, 207.394531 MB of memory in use. ENERGY: 491800 750.0943 2065.2837 1960.6275 114.6821 -206652.1669 18015.1756 0.0000 0.0000 34319.3267 -149426.9770 299.7192 -183746.3037 -149331.0708 299.2643 162.3273 197.9023 556722.2875 11.8964 11.9829 PRESSURE: 492000 -126.281 -17.4214 -115.212 -17.4212 24.9131 132.664 -115.212 132.665 -119.611 GPRESSURE: 492000 -31.438 19.1657 -159.05 -54.0746 -18.5018 103.841 -74.9664 192.905 -57.1676 PRESSAVG: 492000 -23.1435 23.4075 44.6815 23.4075 -46.3958 -1.87759 44.6816 -1.87754 49.5337 GPRESSAVG: 492000 -22.2066 24.3622 45.7373 24.6425 -48.307 0.629231 42.4429 -1.01138 50.5429 TIMING: 492000 CPU: 1421.55, 0.0029156/step Wall: 1421.55, 0.0029156/step, 3.65098 hours remaining, 207.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 492000 711.3065 2131.1858 1950.2971 118.3701 -206000.4989 17603.7055 0.0000 0.0000 34151.2190 -149334.4149 298.2511 -183485.6339 -149233.1450 298.3191 -73.6596 -35.7025 558040.3988 -6.6685 -6.6569 PRESSURE: 492200 145.272 -151.274 246.212 -151.274 -18.9009 53.6305 246.213 53.6327 143.631 GPRESSURE: 492200 224.915 -142.156 284.117 -141.087 -41.4402 43.7213 224.925 118.762 179.509 PRESSAVG: 492200 -57.4916 -31.9485 33.1488 -31.9485 -25.7389 -27.0203 33.1487 -27.0202 74.7846 GPRESSAVG: 492200 -57.1882 -34.0833 33.0075 -31.0386 -24.8578 -28.3362 34.1236 -26.6055 73.7862 TIMING: 492200 CPU: 1422.13, 0.00289809/step Wall: 1422.13, 0.00289809/step, 3.62889 hours remaining, 207.394531 MB of memory in use. ENERGY: 492200 717.3900 2114.3241 1952.8648 114.6843 -206737.1759 18149.3648 0.0000 0.0000 34296.1124 -149392.4355 299.5165 -183688.5480 -149291.6226 298.9868 90.0009 120.9945 557976.2319 -2.8153 -2.7533 LDB: ============= START OF LOAD BALANCING ============== 1425.52 LDB: ============== END OF LOAD BALANCING =============== 1425.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1425.52 LDB: ============= START OF LOAD BALANCING ============== 1425.81 LDB: Largest compute 4822 load 0.027630 is 23.4% of average load 0.117874 LDB: Average compute 0.001719 is 1.5% of average load 0.117874 LDB: TIME 1425.81 LOAD: AVG 0.117874 MAX 0.178801 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.105 MB LDB: TIME 1425.81 LOAD: AVG 0.117874 MAX 0.178801 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.105 MB LDB: TIME 1425.81 LOAD: AVG 0.117874 MAX 0.178801 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.105 MB LDB: ============== END OF LOAD BALANCING =============== 1425.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1425.82 PRESSURE: 492400 -183.057 137.162 26.1385 137.163 -123.764 21.1452 26.1386 21.144 -14.6534 GPRESSURE: 492400 -180.76 67.3448 0.666206 190.069 -89.6707 43.3691 -64.4161 90.4439 28.0695 PRESSAVG: 492400 17.2123 -27.988 -16.7453 -27.988 -42.2543 -0.00163584 -16.7452 -0.00157576 -25.6813 GPRESSAVG: 492400 16.8584 -25.931 -15.9834 -28.0713 -42.5184 0.998824 -17.4413 -0.0277335 -25.2545 TIMING: 492400 CPU: 1422.72, 0.00293709/step Wall: 1422.72, 0.00293709/step, 3.67757 hours remaining, 205.730469 MB of memory in use. ENERGY: 492400 760.5579 2125.5391 1987.6952 123.3286 -206087.4092 17646.3820 0.0000 0.0000 34160.9525 -149282.9540 298.3361 -183443.9065 -149186.7106 298.6959 -107.1579 -80.7871 557461.2185 -16.9077 -16.9715 PRESSURE: 492600 -144.024 22.0573 -101.526 22.0562 -117.689 153.97 -101.526 153.969 53.9375 GPRESSURE: 492600 -115.487 10.4881 -79.035 42.5144 -90.5607 190.855 -83.4547 153.18 83.4321 PRESSAVG: 492600 -4.85159 2.83331 43.3675 2.83326 17.0298 5.35393 43.3676 5.35386 8.39546 GPRESSAVG: 492600 -3.76473 2.75732 42.8326 2.52836 16.3549 7.71943 43.6531 0.897838 8.80798 TIMING: 492600 CPU: 1423.3, 0.00289285/step Wall: 1423.3, 0.00289285/step, 3.622 hours remaining, 205.730469 MB of memory in use. ENERGY: 492600 751.1092 2148.8205 1966.6894 118.2698 -206274.5779 17744.1078 0.0000 0.0000 34313.2081 -149232.3730 299.6658 -183545.5812 -149133.6646 299.9276 -69.2584 -40.8718 558422.8788 6.8579 7.1327 PRESSURE: 492800 4.91107 -61.9037 -61.6553 -61.9036 -128.778 106.401 -61.6539 106.4 36.0435 GPRESSURE: 492800 96.253 -55.2591 -76.3019 -71.5304 -142.947 64.9473 -92.2656 74.3 44.6085 PRESSAVG: 492800 34.1723 13.0713 -0.707996 13.0713 -46.0684 7.29132 -0.707956 7.2912 45.2735 GPRESSAVG: 492800 33.8611 12.1854 -0.829952 13.3207 -46.2489 2.4913 1.80486 9.68896 45.1982 TIMING: 492800 CPU: 1423.88, 0.00290659/step Wall: 1423.88, 0.00290659/step, 3.63905 hours remaining, 205.730469 MB of memory in use. ENERGY: 492800 756.0086 2162.7796 1967.7108 110.9030 -206420.2929 17787.0898 0.0000 0.0000 34267.3317 -149368.4695 299.2651 -183635.8011 -149270.5651 298.8999 -29.2745 -0.6950 559147.6157 11.1258 10.9368 PRESSURE: 493000 -114.919 42.4984 -72.9156 42.4977 43.0796 -48.1657 -72.915 -48.1664 190.925 GPRESSURE: 493000 -43.8178 9.21298 -73.2666 59.1809 76.3767 -85.7787 -118.761 -56.9056 172.33 PRESSAVG: 493000 26.186 20.3642 30.5221 20.3642 -69.5076 13.3302 30.5222 13.3303 34.7762 GPRESSAVG: 493000 26.1235 21.7925 32.6967 19.7321 -69.6873 13.5752 25.4106 13.0703 34.9945 TIMING: 493000 CPU: 1424.46, 0.00289202/step Wall: 1424.46, 0.00289202/step, 3.62065 hours remaining, 206.117188 MB of memory in use. ENERGY: 493000 773.8010 2153.2596 1942.0866 101.4418 -206414.2021 18011.7156 0.0000 0.0000 34027.8877 -149404.0098 297.1740 -183431.8975 -149306.3491 298.6793 39.6951 68.2963 559427.0846 -2.8485 -2.8564 PRESSURE: 493200 217.562 -107.277 -27.0663 -107.278 12.4941 -61.5484 -27.0659 -61.5483 167.64 GPRESSURE: 493200 229.953 -71.396 -1.16048 -121.287 45.1553 -23.7644 -13.2205 -161.13 221.803 PRESSAVG: 493200 36.4524 33.0159 41.8062 33.0159 -24.9741 -17.0139 41.8062 -17.0139 -22.3627 GPRESSAVG: 493200 36.7731 33.5969 40.1894 32.6786 -25.3268 -15.7089 44.0962 -16.6932 -22.0699 TIMING: 493200 CPU: 1425.04, 0.00289095/step Wall: 1425.04, 0.00289095/step, 3.61915 hours remaining, 206.171875 MB of memory in use. ENERGY: 493200 714.2432 2067.4889 1960.2265 124.1684 -206569.7498 18177.4449 0.0000 0.0000 34330.0540 -149196.1237 299.8129 -183526.1778 -149084.2404 298.6320 132.5652 165.6372 557507.9303 -3.6281 -3.5412 PRESSURE: 493400 317.219 -58.2652 102.855 -58.265 -51.4957 -80.9214 102.854 -80.922 -140.834 GPRESSURE: 493400 279.861 -3.15025 116.48 -62.5798 25.7668 -124.528 134.079 -26.8307 -91.9724 PRESSAVG: 493400 70.741 -13.4115 7.86432 -13.4116 1.78517 -20.464 7.86447 -20.4641 -46.8352 GPRESSAVG: 493400 70.6493 -15.1521 7.44083 -11.9024 1.96166 -20.7572 7.88523 -19.7806 -47.2999 TIMING: 493400 CPU: 1425.62, 0.00290346/step Wall: 1425.62, 0.00290346/step, 3.63464 hours remaining, 206.171875 MB of memory in use. ENERGY: 493400 741.0007 2199.8304 1917.9964 108.9686 -206442.0651 18026.4883 0.0000 0.0000 34115.0710 -149332.7097 297.9354 -183447.7807 -149239.5787 299.2419 41.6299 71.2184 557846.3341 8.5637 8.4370 PRESSURE: 493600 -134.304 -227.704 -146.665 -227.705 -180.31 27.0968 -146.665 27.0955 -235.162 GPRESSURE: 493600 -58.9247 -189.546 -168.757 -206.884 -176.054 -44.7919 -101.126 30.8672 -209.838 PRESSAVG: 493600 84.697 -22.8218 44.5108 -22.8218 -22.3727 29.3164 44.5109 29.3163 29.4398 GPRESSAVG: 493600 85.68 -21.9513 43.4729 -25.5172 -22.2684 29.6554 46.8916 27.7638 28.5319 TIMING: 493600 CPU: 1426.2, 0.00289511/step Wall: 1426.2, 0.00289511/step, 3.62403 hours remaining, 206.191406 MB of memory in use. ENERGY: 493600 767.6175 2147.8939 1922.3676 114.2264 -206360.4837 17835.7883 0.0000 0.0000 34171.3564 -149401.2335 298.4270 -183572.5899 -149301.0673 298.5854 -183.2585 -148.2722 558048.0248 30.5880 30.6479 PRESSURE: 493800 129.352 -81.9197 -56.6092 -81.919 -157.191 46.4945 -56.6102 46.4944 -41.4614 GPRESSURE: 493800 132.525 -76.4729 -56.3413 -162.319 -79.3564 10.8009 -40.5555 -30.3173 -25.7117 PRESSAVG: 493800 18.2053 -7.95084 29.7389 -7.95086 -27.2422 20.8102 29.7389 20.8104 3.46683 GPRESSAVG: 493800 17.1097 -8.94765 32.4017 -5.94363 -27.4777 22.253 26.8274 20.703 4.89996 TIMING: 493800 CPU: 1426.77, 0.00288545/step Wall: 1426.77, 0.00288545/step, 3.61178 hours remaining, 206.191406 MB of memory in use. ENERGY: 493800 751.6233 2121.5260 1969.8128 122.0800 -206060.5849 17662.2062 0.0000 0.0000 34161.6328 -149271.7038 298.3420 -183433.3365 -149183.9021 298.5017 -23.1002 9.1522 556679.6871 -1.8567 -1.8227 PRESSURE: 494000 131.677 -141.672 83.4612 -141.672 239.503 38.0851 83.4605 38.084 -213.684 GPRESSURE: 494000 168.241 -156.35 -28.8645 -171.18 297.561 133.48 119.662 -29.1745 -214.081 PRESSAVG: 494000 33.0758 -10.8988 74.9837 -10.8988 5.19975 -30.2452 74.9836 -30.2453 -20.4511 GPRESSAVG: 494000 33.1143 -9.5734 73.8411 -11.2515 5.78399 -31.657 76.4714 -30.0543 -20.9805 TIMING: 494000 CPU: 1427.35, 0.00288888/step Wall: 1427.35, 0.00288888/step, 3.61591 hours remaining, 206.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 494000 750.6423 2099.0039 1976.7582 116.9271 -206467.0655 17941.3435 0.0000 0.0000 34274.6242 -149307.7663 299.3288 -183582.3905 -149214.8553 299.1794 52.4988 83.9069 555835.4169 5.9415 5.9726 PRESSURE: 494200 -306.164 66.4638 8.13724 66.4645 -259.266 33.5779 8.13709 33.5772 -161.32 GPRESSURE: 494200 -255.643 36.3325 110.842 84.7663 -261.374 69.9714 -21.6456 7.03419 -124.631 PRESSAVG: 494200 -10.5727 -49.4579 3.61252 -49.458 33.8035 45.4489 3.61246 45.4489 -11.8697 GPRESSAVG: 494200 -9.92617 -50.4219 5.20214 -48.5018 32.5865 44.8612 2.757 47.101 -11.318 TIMING: 494200 CPU: 1427.93, 0.00288021/step Wall: 1427.93, 0.00288021/step, 3.60491 hours remaining, 206.191406 MB of memory in use. ENERGY: 494200 743.7955 2113.1418 1991.6761 115.4342 -206262.7577 17563.9578 0.0000 0.0000 34360.1553 -149374.5969 300.0758 -183734.7522 -149269.7611 299.2903 -242.2498 -213.8826 558113.9143 3.7870 3.7808 PRESSURE: 494400 -65.3685 65.1015 -18.5648 65.1014 -358.053 82.8989 -18.5625 82.8995 -104.407 GPRESSURE: 494400 4.17276 40.2419 29.0916 134.26 -351.985 144.704 -26.89 23.0213 -97.712 PRESSAVG: 494400 -25.4757 7.16998 21.6602 7.16997 5.17644 53.621 21.6602 53.621 4.28693 GPRESSAVG: 494400 -26.0375 6.16637 19.4969 6.87129 6.56128 56.4308 24.1696 52.1625 3.69411 TIMING: 494400 CPU: 1428.51, 0.00289507/step Wall: 1428.51, 0.00289507/step, 3.62335 hours remaining, 206.191406 MB of memory in use. ENERGY: 494400 789.6898 2062.4926 1956.4883 117.3854 -206266.5986 17773.3816 0.0000 0.0000 34335.9220 -149231.2389 299.8641 -183567.1609 -149125.4102 299.5867 -175.9429 -148.5082 556848.2219 -5.3374 -5.2607 PRESSURE: 494600 -44.1737 110.362 -85.6677 110.364 208.533 61.8583 -85.667 61.8575 125.331 GPRESSURE: 494600 -22.7948 86.8334 -85.8174 95.4987 201.606 56.5722 -56.0664 55.6959 208.463 PRESSAVG: 494600 47.9285 36.4968 15.5661 36.4968 -10.0066 26.8362 15.5661 26.8361 25.4925 GPRESSAVG: 494600 48.1384 37.74 16.1834 35.9023 -9.86906 24.3946 13.7841 26.8082 25.1983 TIMING: 494600 CPU: 1429.08, 0.00286927/step Wall: 1429.08, 0.00286927/step, 3.5909 hours remaining, 206.191406 MB of memory in use. ENERGY: 494600 735.6789 2108.7350 1964.5206 107.2313 -206413.3103 17839.8565 0.0000 0.0000 34372.9558 -149284.3323 300.1876 -183657.2881 -149192.2388 299.2413 96.5632 129.0913 555125.5103 21.1382 21.1559 PRESSURE: 494800 -116.262 75.1066 -113.893 75.1063 116.879 157.132 -113.894 157.133 -226.967 GPRESSURE: 494800 -73.7708 47.9097 50.2555 28.6786 135.652 88.2099 -147.032 145.826 -187.228 PRESSAVG: 494800 -11.739 26.9874 -32.0765 26.9874 -0.0110045 24.5505 -32.0766 24.5505 50.0041 GPRESSAVG: 494800 -10.2669 28.3701 -30.0975 27.2265 -1.44808 25.821 -31.3245 24.5417 50.7254 TIMING: 494800 CPU: 1429.66, 0.00287505/step Wall: 1429.66, 0.00287505/step, 3.59797 hours remaining, 206.191406 MB of memory in use. ENERGY: 494800 747.1316 2141.8795 1949.2271 102.9594 -206200.6158 17531.7777 0.0000 0.0000 34406.3168 -149321.3237 300.4789 -183727.6405 -149218.9669 299.0294 -75.4499 -41.7823 554943.0987 12.7514 13.0035 PRESSURE: 495000 13.3501 298.169 -67.3176 298.169 3.12393 97.9774 -67.3188 97.9774 -128.915 GPRESSURE: 495000 15.0321 268.876 -152.402 299.952 75.6424 147.802 -52.3348 104.806 -96.6748 PRESSAVG: 495000 10.2859 59.5034 -62.1054 59.5035 -45.8955 -2.89967 -62.1055 -2.89975 11.3846 GPRESSAVG: 495000 9.62144 60.5496 -64.0077 57.3931 -44.4584 -3.32355 -62.0602 -3.04259 10.5063 TIMING: 495000 CPU: 1430.23, 0.00287886/step Wall: 1430.23, 0.00287886/step, 3.60257 hours remaining, 206.191406 MB of memory in use. ENERGY: 495000 713.9083 2126.1244 1988.0388 122.5243 -206236.6854 17764.8188 0.0000 0.0000 34227.9314 -149293.3394 298.9210 -183521.2708 -149199.0849 299.5062 -37.4805 -2.0001 555857.5900 -8.0750 -8.1102 PRESSURE: 495200 14.1899 46.4527 -19.5043 46.4533 31.0477 34.4823 -19.5044 34.4826 -245.862 GPRESSURE: 495200 25.1126 91.0388 14.289 100.112 52.9582 -11.5686 -83.4548 44.6612 -195.954 PRESSAVG: 495200 84.2703 83.2949 30.4053 83.2949 4.34419 64.8928 30.4053 64.8928 -84.8161 GPRESSAVG: 495200 84.0688 82.0403 33.9548 85.6349 3.32481 65.1911 27.7083 65.8635 -84.3031 TIMING: 495200 CPU: 1430.81, 0.00288489/step Wall: 1430.81, 0.00288489/step, 3.60995 hours remaining, 206.191406 MB of memory in use. ENERGY: 495200 788.5600 2085.3214 1966.8509 123.5411 -206438.8040 17845.9664 0.0000 0.0000 34378.0387 -149250.5254 300.2320 -183628.5642 -149159.3906 299.3572 -66.8748 -39.2945 556048.4854 1.2661 1.0301 PRESSURE: 495400 -67.8747 160.505 -11.6994 160.505 -4.63693 -6.78261 -11.699 -6.78152 -53.0854 GPRESSURE: 495400 -5.1817 156.92 60.1391 73.6154 -2.07773 54.216 2.66236 -30.4283 -37.362 PRESSAVG: 495400 -6.60665 36.7565 32.495 36.7566 16.5648 6.13044 32.495 6.13046 -2.55705 GPRESSAVG: 495400 -7.30869 33.038 30.3527 37.4597 17.6776 7.24486 35.1747 3.01304 -3.50035 TIMING: 495400 CPU: 1431.39, 0.00290409/step Wall: 1431.39, 0.00290409/step, 3.63383 hours remaining, 206.191406 MB of memory in use. ENERGY: 495400 753.3010 2077.5417 1963.3977 108.0881 -206372.1501 17829.2822 0.0000 0.0000 34464.5528 -149175.9867 300.9875 -183640.5395 -149078.1734 299.7084 -41.8657 -14.8738 556583.0761 2.4670 2.2895 PRESSURE: 495600 60.2301 -68.7555 118.332 -68.7564 -166.141 -39.1925 118.333 -39.1926 -172.891 GPRESSURE: 495600 95.3453 -57.616 22.7912 -97.4574 -95.0648 -76.3767 148.138 72.1812 -181.46 PRESSAVG: 495600 37.9797 11.0025 15.8426 11.0025 23.3567 42.6576 15.8426 42.6576 -74.3896 GPRESSAVG: 495600 38.4748 13.5876 15.5085 8.75455 21.9018 38.8435 15.3504 47.6095 -74.0382 TIMING: 495600 CPU: 1431.96, 0.00287578/step Wall: 1431.96, 0.00287578/step, 3.59824 hours remaining, 206.191406 MB of memory in use. ENERGY: 495600 750.3076 2081.4339 1950.9576 121.3215 -205831.1331 17636.3370 0.0000 0.0000 34005.0604 -149285.7151 296.9746 -183290.7755 -149190.8930 299.1039 -92.9341 -60.3933 556416.6942 -4.3511 -4.5539 PRESSURE: 495800 325.118 -18.0817 -9.70101 -18.0822 -207.15 59.8119 -9.70071 59.8131 73.575 GPRESSURE: 495800 340.665 -48.8078 23.3668 7.48243 -211.085 72.0695 34.6913 137.076 150.489 PRESSAVG: 495800 125.78 -2.77443 -12.7345 -2.77453 -63.24 28.2123 -12.7345 28.2123 -35.767 GPRESSAVG: 495800 125.815 -4.4185 -11.5522 -1.99354 -63.6671 28.7041 -13.5686 26.2832 -35.6611 TIMING: 495800 CPU: 1432.54, 0.00287045/step Wall: 1432.54, 0.00287045/step, 3.59142 hours remaining, 206.191406 MB of memory in use. ENERGY: 495800 751.3164 2048.9473 1981.1146 101.9802 -206736.2409 18061.4056 0.0000 0.0000 34430.2310 -149361.2457 300.6878 -183791.4767 -149263.8791 299.0667 63.8477 93.3565 555832.4816 8.9242 8.8290 PRESSURE: 496000 27.8486 38.2251 -93.5683 38.2254 -170.469 35.9446 -93.5689 35.9451 -106.352 GPRESSURE: 496000 91.1383 16.4301 -132.889 105.554 -126.351 95.8807 -103.202 -80.286 -111.685 PRESSAVG: 496000 21.5271 -26.8144 17.9454 -26.8144 -44.3714 -3.56932 17.9454 -3.56946 -4.49942 GPRESSAVG: 496000 21.7022 -26.8383 17.3044 -26.5172 -43.5443 -3.66997 19.5052 -5.68489 -5.84555 TIMING: 496000 CPU: 1433.11, 0.00287089/step Wall: 1433.11, 0.00287089/step, 3.5918 hours remaining, 206.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 496000 785.8656 2101.5824 1975.7596 112.4369 -206391.5618 17656.9089 0.0000 0.0000 34368.5029 -149390.5056 300.1487 -183759.0085 -149301.3121 299.1739 -82.9906 -48.9659 556230.4672 -9.1146 -9.2292 PRESSURE: 496200 -311.681 -51.2198 -230.386 -51.2198 -50.3036 220.369 -230.386 220.368 19.6063 GPRESSURE: 496200 -248.758 34.1476 -192.869 -87.5947 -51.189 175.393 -286.786 222.413 52.0637 PRESSAVG: 496200 -7.58127 -2.09833 -82.4336 -2.0983 15.0678 30.9798 -82.4335 30.9798 13.8008 GPRESSAVG: 496200 -7.50485 -1.56115 -82.3143 -1.47573 13.714 32.6279 -82.1078 32.4235 15.6641 TIMING: 496200 CPU: 1433.69, 0.00288552/step Wall: 1433.69, 0.00288552/step, 3.60995 hours remaining, 206.191406 MB of memory in use. ENERGY: 496200 762.8858 2089.4532 1968.2223 125.7810 -206220.2265 17678.7595 0.0000 0.0000 34159.4712 -149435.6537 298.3232 -183595.1248 -149338.5056 299.7418 -114.1260 -82.6278 556471.6704 7.0958 7.2911 LDB: ============= START OF LOAD BALANCING ============== 1437.08 LDB: ============== END OF LOAD BALANCING =============== 1437.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1437.08 LDB: ============= START OF LOAD BALANCING ============== 1437.37 LDB: Largest compute 4820 load 0.027994 is 23.8% of average load 0.117869 LDB: Average compute 0.001725 is 1.5% of average load 0.117869 LDB: TIME 1437.37 LOAD: AVG 0.117869 MAX 0.178731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.379 MB LDB: TIME 1437.37 LOAD: AVG 0.117869 MAX 0.178731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: TIME 1437.37 LOAD: AVG 0.117869 MAX 0.178731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: ============== END OF LOAD BALANCING =============== 1437.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1437.38 PRESSURE: 496400 -57.8269 91.9367 54.6901 91.9361 -51.9841 23.3431 54.6899 23.343 -63.8279 GPRESSURE: 496400 -4.29814 49.4473 131.513 39.4902 -11.6655 42.6835 24.6549 -50.5514 -48.0146 PRESSAVG: 496400 -16.2371 10.755 12.7565 10.755 0.363825 13.697 12.7565 13.6969 -16.2946 GPRESSAVG: 496400 -16.5228 11.9545 13.5338 8.053 0.975077 13.9323 14.0354 11.4566 -16.8136 TIMING: 496400 CPU: 1434.28, 0.00296271/step Wall: 1434.28, 0.00296271/step, 3.70636 hours remaining, 205.765625 MB of memory in use. ENERGY: 496400 732.4097 2079.6440 1962.0152 106.5620 -206463.8282 17805.5456 0.0000 0.0000 34343.3152 -149434.3366 299.9287 -183777.6517 -149335.4974 299.1409 -57.8796 -21.3261 556586.1511 -10.7226 -10.7871 PRESSURE: 496600 146.379 106.061 69.2331 106.062 65.6015 119.176 69.2336 119.175 147.165 GPRESSURE: 496600 207.742 83.7683 25.2769 37.1484 90.8374 192.2 195.811 81.4777 173.572 PRESSAVG: 496600 42.5538 29.1633 8.37379 29.1633 -49.3734 -41.8035 8.37383 -41.8035 17.0309 GPRESSAVG: 496600 42.021 29.8724 6.58582 28.5967 -48.6896 -44.5815 7.36784 -39.8615 16.9737 TIMING: 496600 CPU: 1434.86, 0.00290396/step Wall: 1434.86, 0.00290396/step, 3.63269 hours remaining, 205.757812 MB of memory in use. ENERGY: 496600 724.0156 2059.4936 1983.0750 114.7781 -206722.6983 18150.9979 0.0000 0.0000 34271.5302 -149418.8079 299.3018 -183690.3382 -149325.7750 299.3730 119.7150 157.3839 556681.5835 3.4038 3.4351 PRESSURE: 496800 -402.593 -61.7348 142.196 -61.736 -575.779 -13.3626 142.196 -13.3644 -227.127 GPRESSURE: 496800 -339.456 -96.9027 169.056 6.57967 -547.265 -31.4647 58.7337 43.5464 -216.902 PRESSAVG: 496800 23.6331 -17.8358 -15.0596 -17.8357 -46.4185 -29.8741 -15.0596 -29.874 27.6452 GPRESSAVG: 496800 24.2789 -17.8568 -13.2661 -16.6482 -47.0783 -27.1085 -16.5829 -29.7321 27.59 TIMING: 496800 CPU: 1435.44, 0.00287512/step Wall: 1435.44, 0.00287512/step, 3.59645 hours remaining, 205.757812 MB of memory in use. ENERGY: 496800 728.7512 2031.9271 1965.5952 107.4829 -205742.2561 17154.1192 0.0000 0.0000 34203.4446 -149550.9358 298.7072 -183754.3804 -149450.4708 299.1122 -401.8327 -367.8745 557818.7461 1.6199 1.5969 PRESSURE: 497000 -50.8018 -46.5951 183.132 -46.5948 -18.007 24.8905 183.131 24.8908 -62.5035 GPRESSURE: 497000 -25.3924 -74.4688 190.953 -42.8826 9.99109 67.4457 187.937 88.6681 -30.1121 PRESSAVG: 497000 -13.4121 5.03711 22.0258 5.03722 -65.2727 -27.7179 22.0258 -27.718 93.6993 GPRESSAVG: 497000 -12.6441 4.0756 20.1341 6.53657 -66.0621 -29.9062 24.8097 -28.5023 93.8215 TIMING: 497000 CPU: 1436.02, 0.00290648/step Wall: 1436.02, 0.00290648/step, 3.63553 hours remaining, 205.757812 MB of memory in use. ENERGY: 497000 721.9989 2011.1854 1966.3162 109.9192 -206340.3504 17825.8071 0.0000 0.0000 34137.0202 -149568.1035 298.1271 -183705.1237 -149476.3409 298.1248 -43.7708 -15.1711 557816.0584 5.0048 5.0384 PRESSURE: 497200 -139.312 -17.1136 57.754 -17.1129 3.51895 -33.9206 57.7547 -33.9219 189.588 GPRESSURE: 497200 -93.3981 -40.4097 73.5474 -35.815 40.6855 108.468 -31.6827 -60.2541 193.146 PRESSAVG: 497200 -49.4476 13.6677 18.8846 13.6677 -18.3496 3.98663 18.8846 3.98662 44.7491 GPRESSAVG: 497200 -51.5658 13.6956 20.2889 12.7448 -16.8764 5.58119 17.3025 4.07308 44.9162 TIMING: 497200 CPU: 1436.61, 0.00293261/step Wall: 1436.61, 0.00293261/step, 3.66804 hours remaining, 205.757812 MB of memory in use. ENERGY: 497200 703.6909 2068.7546 1960.8497 112.6901 -206288.0435 17780.4906 0.0000 0.0000 34282.9270 -149378.6407 299.4013 -183661.5677 -149277.1369 298.1857 17.9316 46.8112 558786.6685 -7.6827 -7.8420 PRESSURE: 497400 286.146 -54.7794 7.75828 -54.7794 65.9364 129.329 7.75824 129.328 8.28557 GPRESSURE: 497400 287.676 29.1527 -98.6713 -120.37 57.3503 32.517 84.1321 175.659 116.681 PRESSAVG: 497400 -77.4576 -35.9962 22.7809 -35.9963 26.3851 -0.266429 22.7809 -0.266281 22.9203 GPRESSAVG: 497400 -76.9651 -34.5585 22.4298 -37.7263 24.4148 -1.4492 23.0412 0.37883 24.1932 TIMING: 497400 CPU: 1437.19, 0.00293129/step Wall: 1437.19, 0.00293129/step, 3.66623 hours remaining, 205.757812 MB of memory in use. ENERGY: 497400 715.8684 2117.7095 1972.4525 114.5289 -206330.7104 17991.8773 0.0000 0.0000 34221.0147 -149197.2590 298.8606 -183418.2737 -149103.7396 299.0665 120.1225 153.9027 558253.5668 -9.3841 -9.4524 PRESSURE: 497600 -287.162 49.8912 33.0144 49.8907 -84.2018 135.833 33.015 135.832 -128.863 GPRESSURE: 497600 -256.992 19.442 -5.56143 31.0457 -17.0779 74.8778 43.9928 142.508 -137.673 PRESSAVG: 497600 -11.656 6.84915 21.7308 6.84935 43.2864 107.644 21.7308 107.644 17.4541 GPRESSAVG: 497600 -11.5853 3.15344 20.8818 9.80649 44.3444 110.033 22.0036 105.325 16.2409 TIMING: 497600 CPU: 1437.77, 0.00290162/step Wall: 1437.77, 0.00290162/step, 3.62896 hours remaining, 205.757812 MB of memory in use. ENERGY: 497600 765.3892 2030.3769 1963.8618 118.9830 -205988.2214 17563.7285 0.0000 0.0000 34434.5352 -149111.3467 300.7254 -183545.8820 -149014.6774 299.5318 -166.7421 -137.2476 558982.3802 16.3615 16.3334 PRESSURE: 497800 -302.535 -45.0061 -77.1601 -45.0056 -130.436 -13.5314 -77.1613 -13.5316 53.901 GPRESSURE: 497800 -301.702 -30.2922 -31.1499 -14.4029 -57.1112 -17.2437 -54.7579 45.8131 79.5912 PRESSAVG: 497800 -32.9895 -35.1238 31.8391 -35.1237 -36.7925 27.0717 31.8391 27.0716 8.06733 GPRESSAVG: 497800 -32.6322 -32.8102 31.8317 -36.6509 -37.7848 24.6425 32.1027 29.13 8.84016 TIMING: 497800 CPU: 1438.35, 0.00289084/step Wall: 1438.35, 0.00289084/step, 3.61532 hours remaining, 205.757812 MB of memory in use. ENERGY: 497800 784.9508 2108.1228 1965.9208 105.0218 -205985.9541 17761.0514 0.0000 0.0000 34121.8276 -149139.0589 297.9944 -183260.8865 -149044.3401 298.5720 -126.3567 -93.0741 560817.0266 -20.5716 -20.5256 PRESSURE: 498000 277.163 13.2889 -21.8363 13.2895 287.748 -74.0285 -21.8362 -74.0276 200.72 GPRESSURE: 498000 314.101 -11.0766 -86.3545 37.5767 314.561 -106.095 -19.0804 1.30089 225.275 PRESSAVG: 498000 -82.0932 -50.2329 4.34022 -50.233 -10.7979 5.35616 4.34026 5.35606 84.6019 GPRESSAVG: 498000 -81.254 -52.0663 4.20145 -49.4372 -10.5821 5.20068 4.8221 5.04289 83.3008 TIMING: 498000 CPU: 1438.93, 0.00290106/step Wall: 1438.93, 0.00290106/step, 3.62793 hours remaining, 205.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 498000 756.3684 2077.9041 1976.5358 103.5950 -207096.8825 18484.8538 0.0000 0.0000 34476.3024 -149221.3229 301.0901 -183697.6254 -149131.6198 299.7392 255.2105 284.6458 558089.5998 -2.7631 -2.8451 PRESSURE: 498200 -327.093 -184.923 90.6617 -184.922 -260.595 110.348 90.663 110.348 -84.5326 GPRESSURE: 498200 -283.299 -194.64 130.496 -174.727 -222.538 134.976 52.4029 -22.237 -72.5393 PRESSAVG: 498200 -35.2677 -30.994 -36.5041 -30.9939 -9.32415 42.6896 -36.5042 42.6897 20.1118 GPRESSAVG: 498200 -36.4618 -27.9787 -36.3349 -31.95 -8.89327 42.4298 -38.0681 42.5038 20.7272 TIMING: 498200 CPU: 1439.51, 0.00290139/step Wall: 1439.51, 0.00290139/step, 3.62819 hours remaining, 205.757812 MB of memory in use. ENERGY: 498200 707.4700 2028.1734 1979.3264 103.4367 -205773.7569 17568.5352 0.0000 0.0000 34201.8863 -149184.9290 298.6936 -183386.8153 -149089.7788 298.6209 -224.0735 -192.7919 559926.4021 -8.1600 -8.2093 PRESSURE: 498400 -344.844 12.8835 -146.269 12.8825 -22.0015 13.9957 -146.268 13.9962 -2.18085 GPRESSURE: 498400 -359.884 -10.414 -155.492 3.42454 20.1965 -22.2148 -197.012 20.2406 58.3582 PRESSAVG: 498400 -39.5548 10.8698 -22.8525 10.8696 14.0723 -27.488 -22.8525 -27.4879 36.6831 GPRESSAVG: 498400 -38.3791 9.67241 -23.0524 11.859 12.9442 -24.7973 -20.4558 -29.623 36.5033 TIMING: 498400 CPU: 1440.09, 0.00287724/step Wall: 1440.09, 0.00287724/step, 3.59783 hours remaining, 205.757812 MB of memory in use. ENERGY: 498400 785.4848 2046.6506 1953.2053 113.3833 -205578.0609 17510.8128 0.0000 0.0000 34257.3487 -148911.1754 299.1779 -183168.5240 -148814.9732 298.9112 -123.0089 -93.7765 558176.1311 3.7336 3.6895 PRESSURE: 498600 62.6334 11.2031 36.3477 11.2032 -52.5778 -1.32184 36.3481 -1.32215 -116.308 GPRESSURE: 498600 127.466 -96.0418 11.2798 54.7407 -40.0767 -0.11531 30.8628 23.3308 -93.3262 PRESSAVG: 498600 -11.2486 36.3793 -3.92458 36.3794 21.8734 -13.6663 -3.92457 -13.6663 13.2578 GPRESSAVG: 498600 -11.65 35.4465 -3.91244 35.0468 21.8795 -15.6846 -6.84023 -10.4608 13.9806 TIMING: 498600 CPU: 1440.67, 0.00290137/step Wall: 1440.67, 0.00290137/step, 3.62785 hours remaining, 205.757812 MB of memory in use. ENERGY: 498600 739.3436 2057.9608 1945.1210 118.6481 -205812.3997 17578.0552 0.0000 0.0000 34380.7446 -148992.5264 300.2556 -183373.2710 -148897.5589 299.9055 -35.4175 -1.9789 556696.9295 7.9609 8.0700 PRESSURE: 498800 136.84 -39.7097 -82.4934 -39.7088 301.066 -46.4699 -82.4912 -46.47 297.325 GPRESSURE: 498800 162.942 -56.3641 -118.326 -57.0017 332.829 13.5507 -11.0549 12.7359 331.486 PRESSAVG: 498800 -9.52603 -1.6229 -2.51066 -1.62285 -5.92855 1.52259 -2.51076 1.52248 14.4351 GPRESSAVG: 498800 -10.1988 -1.03226 -1.99266 -1.70901 -7.02305 2.8278 -1.40107 0.617244 15.7921 TIMING: 498800 CPU: 1441.24, 0.00288805/step Wall: 1441.24, 0.00288805/step, 3.61102 hours remaining, 205.757812 MB of memory in use. ENERGY: 498800 747.3905 2071.3891 1968.5434 111.5253 -206169.2894 18002.1316 0.0000 0.0000 34303.4005 -148964.9090 299.5801 -183268.3095 -148875.0849 300.1562 245.0769 275.7523 556613.7146 -0.3398 -0.4766 PRESSURE: 499000 -178.704 -85.2074 0.957107 -85.2087 -28.2312 -59.9674 0.957151 -59.9661 -333.732 GPRESSURE: 499000 -176.866 -213.712 -49.2147 28.5497 8.41289 -47.2549 140.148 -115.91 -283.249 PRESSAVG: 499000 -42.3473 4.01912 -5.83098 4.01907 -14.725 9.4605 -5.83102 9.46052 54.8769 GPRESSAVG: 499000 -40.5437 3.1055 -4.55232 5.86179 -13.91 6.18513 -8.0793 10.613 52.8862 TIMING: 499000 CPU: 1441.82, 0.00287791/step Wall: 1441.82, 0.00287791/step, 3.59819 hours remaining, 205.757812 MB of memory in use. ENERGY: 499000 742.9625 2085.3482 1953.1617 106.9477 -206126.3501 17699.6976 0.0000 0.0000 34629.7790 -148908.4534 302.4305 -183538.2324 -148803.4122 299.8668 -180.2224 -150.5672 558277.5492 -0.7318 -0.5225 PRESSURE: 499200 -66.0878 44.0144 -17.4273 44.0156 -88.8217 -191.638 -17.4261 -191.639 36.6031 GPRESSURE: 499200 -45.6176 126.352 4.62353 24.7873 -25.6064 -157.796 23.9788 -173.098 50.172 PRESSAVG: 499200 -46.7213 42.397 5.39172 42.397 54.3124 -9.46389 5.39182 -9.46398 9.80189 GPRESSAVG: 499200 -47.5047 42.8034 6.0436 40.7064 54.2376 -6.71385 7.1945 -12.0007 10.7893 TIMING: 499200 CPU: 1442.4, 0.00288434/step Wall: 1442.4, 0.00288434/step, 3.60606 hours remaining, 205.757812 MB of memory in use. ENERGY: 499200 747.4761 2124.5525 1960.2473 115.1107 -206043.6812 17920.6136 0.0000 0.0000 34230.7583 -148944.9228 298.9457 -183175.6811 -148846.7400 300.2768 -39.4355 -7.0173 558895.0846 5.7977 5.8407 PRESSURE: 499400 87.6391 -13.208 104.315 -13.2077 59.8638 160.431 104.314 160.43 -107.191 GPRESSURE: 499400 97.2818 -26.2691 49.6828 53.1414 78.7418 163.24 131.362 93.5426 -50.0091 PRESSAVG: 499400 -23.9713 -4.24593 -25.7601 -4.24591 43.3279 1.61601 -25.7601 1.61609 -3.51661 GPRESSAVG: 499400 -23.9109 -2.40152 -27.3512 -5.493 42.9301 1.77864 -24.8523 2.08535 -3.57758 TIMING: 499400 CPU: 1442.97, 0.00288002/step Wall: 1442.97, 0.00288002/step, 3.6005 hours remaining, 205.757812 MB of memory in use. ENERGY: 499400 734.6272 2072.0305 1979.1701 121.0645 -205738.5469 17681.9427 0.0000 0.0000 34163.0769 -148986.6351 298.3546 -183149.7120 -148892.2888 299.3067 13.4372 42.0048 558894.5812 5.2800 5.1472 PRESSURE: 499600 -116.385 111.241 -32.7624 111.242 11.3546 187.577 -32.7628 187.577 11.2721 GPRESSURE: 499600 -41.9972 46.1241 24.7839 166.725 -6.21047 132.67 -49.6628 169.81 48.9462 PRESSAVG: 499600 -35.529 17.9798 4.44218 17.9798 37.1106 9.10166 4.44227 9.10179 -35.7716 GPRESSAVG: 499600 -34.362 15.4548 4.35877 20.8046 35.9681 8.14647 5.09313 10.1805 -36.199 TIMING: 499600 CPU: 1443.56, 0.0029136/step Wall: 1443.56, 0.0029136/step, 3.64232 hours remaining, 205.757812 MB of memory in use. ENERGY: 499600 743.5200 2085.6522 1952.4952 114.6697 -206180.2371 17740.8570 0.0000 0.0000 34466.8105 -149076.2324 301.0072 -183543.0429 -148982.0680 299.8049 -31.2526 0.2462 556942.5084 -11.3967 -11.5310 PRESSURE: 499800 91.3634 -128.075 41.8026 -128.074 27.5146 -51.8208 41.8018 -51.82 -186.655 GPRESSURE: 499800 119.828 -68.6364 43.4115 -137.535 84.1104 -34.5903 27.8092 -103.281 -166.968 PRESSAVG: 499800 11.1083 27.8758 -0.0850655 27.8758 55.9944 39.0616 -0.085053 39.0616 -22.8784 GPRESSAVG: 499800 10.2522 28.3706 -0.769532 28.6717 57.2273 40.5251 -2.81652 36.4169 -23.3704 TIMING: 499800 CPU: 1444.14, 0.00289986/step Wall: 1444.14, 0.00289986/step, 3.62499 hours remaining, 205.757812 MB of memory in use. ENERGY: 499800 750.7846 2127.4334 1944.7734 107.7723 -206318.0049 17832.6561 0.0000 0.0000 34406.6491 -149147.9360 300.4818 -183554.5851 -149055.4510 299.7638 -22.5922 12.3236 558069.3080 14.7414 14.7030 PRESSURE: 500000 -94.5931 -80.485 106.32 -80.4837 29.7705 162.795 106.319 162.795 -16.9971 GPRESSURE: 500000 -74.5196 -0.84679 100.457 -49.5929 52.5843 200.279 49.186 102.929 19.1273 PRESSAVG: 500000 29.5023 -25.6955 3.68899 -25.6955 -9.70217 63.3983 3.68908 63.3982 -31.3964 GPRESSAVG: 500000 28.2789 -23.4968 4.84198 -29.4122 -8.74829 63.3672 2.82421 64.9659 -31.8254 TIMING: 500000 CPU: 1444.72, 0.00290449/step Wall: 1444.72, 0.00290449/step, 3.63061 hours remaining, 205.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 500000 723.7851 2148.8900 1950.4067 106.3077 -205919.2000 17689.9274 0.0000 0.0000 34052.2608 -149247.6223 297.3869 -183299.8831 -149150.5900 299.5555 -27.2732 -0.9360 557605.8082 -3.8654 -4.0983 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.010 seconds, 205.758 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.004 seconds, 205.883 MB of memory in use PRESSURE: 500200 176.789 105.104 92.4235 105.104 -21.8417 15.7404 92.4236 15.7406 73.2474 GPRESSURE: 500200 160.711 126.184 70.5834 89.9951 89.4387 64.1846 127.745 -47.9634 73.347 PRESSAVG: 500200 -38.5316 15.5776 -6.25016 15.5776 -3.01618 64.6801 -6.25026 64.6801 57.8729 GPRESSAVG: 500200 -38.3806 12.9906 -6.45723 17.7829 -3.26473 65.1323 -3.50883 64.9469 58.1215 TIMING: 500200 CPU: 1445.32, 0.00299123/step Wall: 1445.32, 0.00299123/step, 3.73887 hours remaining, 205.882812 MB of memory in use. ENERGY: 500200 743.8157 2024.4993 1956.5454 116.1359 -206475.0156 17918.5045 0.0000 0.0000 34405.9407 -149309.5740 300.4756 -183715.5147 -149209.9835 298.9238 76.0648 107.8323 556710.1023 5.4417 5.4920 LDB: ============= START OF LOAD BALANCING ============== 1448.7 LDB: ============== END OF LOAD BALANCING =============== 1448.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1448.7 LDB: ============= START OF LOAD BALANCING ============== 1448.99 LDB: Largest compute 4822 load 0.027706 is 23.5% of average load 0.117942 LDB: Average compute 0.001709 is 1.4% of average load 0.117942 LDB: TIME 1449 LOAD: AVG 0.117942 MAX 0.183597 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.66 MB LDB: TIME 1449 LOAD: AVG 0.117942 MAX 0.183597 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.863 MB LDB: TIME 1449 LOAD: AVG 0.117942 MAX 0.183597 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.863 MB LDB: ============== END OF LOAD BALANCING =============== 1449 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1449 PRESSURE: 500400 -183.66 -51.8654 15.038 -51.8653 201.927 -100.767 15.0393 -100.767 172.288 GPRESSURE: 500400 -162.217 8.06892 -2.62996 -86.3468 231.66 -188.721 -28.4138 -47.9795 226.344 PRESSAVG: 500400 35.9829 37.6523 -39.7832 37.6523 -3.04309 8.63713 -39.7832 8.63721 -9.5642 GPRESSAVG: 500400 35.5064 37.5493 -40.1962 37.956 -2.26932 5.92071 -41.7201 10.6763 -9.31347 TIMING: 500400 CPU: 1445.91, 0.00296466/step Wall: 1445.91, 0.00296466/step, 3.70549 hours remaining, 207.273438 MB of memory in use. ENERGY: 500400 737.0556 2017.9864 1955.6157 107.7001 -206436.1723 18032.6267 0.0000 0.0000 34285.9160 -149299.2718 299.4274 -183585.1878 -149196.8882 298.4273 63.5185 98.5957 557772.5257 7.7919 7.9745 PRESSURE: 500600 82.3452 -28.8162 -345.579 -28.8147 -79.1437 -98.0643 -345.58 -98.0652 38.4861 GPRESSURE: 500600 144.172 26.9866 -356.242 -20.8179 -83.3155 -137.622 -411.404 -52.4776 78.0473 PRESSAVG: 500600 27.6505 39.0777 -35.691 39.0777 30.6367 -16.2891 -35.6909 -16.2891 -20.9174 GPRESSAVG: 500600 29.1993 40.4714 -33.9677 38.663 30.4278 -13.001 -35.5713 -19.7454 -22.6094 TIMING: 500600 CPU: 1446.49, 0.00293122/step Wall: 1446.49, 0.00293122/step, 3.66354 hours remaining, 207.476562 MB of memory in use. ENERGY: 500600 737.0642 2094.5448 1957.2153 111.0677 -206138.8644 17748.4196 0.0000 0.0000 34255.4081 -149235.1448 299.1610 -183490.5529 -149149.4586 299.2569 13.8959 46.3011 557219.0637 12.4566 12.3393 PRESSURE: 500800 72.6907 14.0846 -69.6049 14.0842 -39.7459 -19.3613 -69.6043 -19.3631 -161.954 GPRESSURE: 500800 29.0367 64.7916 12.4774 -12.216 61.6322 3.30834 -138.858 -29.318 -114.439 PRESSAVG: 500800 73.37 -18.8465 -22.0216 -18.8464 -35.2136 -17.8982 -22.0217 -17.898 15.4092 GPRESSAVG: 500800 73.0338 -20.1451 -23.1779 -19.3004 -35.7124 -19.6317 -21.5121 -17.7081 16.6191 TIMING: 500800 CPU: 1447.08, 0.00291215/step Wall: 1447.08, 0.00291215/step, 3.63954 hours remaining, 207.476562 MB of memory in use. ENERGY: 500800 728.5690 2104.7207 1956.5327 106.5548 -206312.5622 17795.5656 0.0000 0.0000 34207.7468 -149412.8726 298.7448 -183620.6194 -149316.7673 299.0828 -43.0030 -7.9232 557576.4233 17.8552 17.9802 PRESSURE: 501000 330.406 -84.995 170.119 -84.9947 6.8009 -205.724 170.118 -205.725 2.08567 GPRESSURE: 501000 371.64 -115.812 20.2111 -73.2172 -21.1567 -261.033 172.333 -229.36 90.2995 PRESSAVG: 501000 94.6652 -17.7158 -21.281 -17.7158 -84.5946 -52.1054 -21.2809 -52.1054 -10.7839 GPRESSAVG: 501000 93.9436 -15.5915 -22.2009 -18.9038 -84.8477 -53.232 -19.8062 -49.1573 -9.67777 TIMING: 501000 CPU: 1447.66, 0.00291987/step Wall: 1447.66, 0.00291987/step, 3.64903 hours remaining, 207.476562 MB of memory in use. ENERGY: 501000 722.4798 2068.5427 1971.1926 120.0535 -206422.8081 17967.9835 0.0000 0.0000 34185.3933 -149387.1626 298.5495 -183572.5559 -149289.1004 298.6161 113.0974 146.9276 557462.1339 -0.2378 -0.1939 PRESSURE: 501200 9.75867 -30.6566 -18.4138 -30.6565 175.548 -66.8831 -18.4143 -66.8822 -97.5668 GPRESSURE: 501200 21.455 -82.833 -2.9905 16.6199 246.802 -43.2141 -41.4335 -13.0184 -94.4128 PRESSAVG: 501200 39.473 77.2659 37.492 77.266 -1.27795 -39.6905 37.492 -39.6904 -70.9999 GPRESSAVG: 501200 39.14 76.1166 37.5006 77.4397 0.692103 -40.0457 36.8224 -42.0625 -72.1243 TIMING: 501200 CPU: 1448.24, 0.00289886/step Wall: 1448.24, 0.00289886/step, 3.62261 hours remaining, 207.476562 MB of memory in use. ENERGY: 501200 740.6665 2125.2375 1941.0069 117.5670 -206502.2059 17878.4449 0.0000 0.0000 34433.6139 -149265.6692 300.7173 -183699.2831 -149170.3117 299.3056 29.2465 57.9482 556292.0084 -10.9349 -10.7641 PRESSURE: 501400 -13.1812 149.267 -95.4133 149.267 97.5658 -173.663 -95.4122 -173.664 -218.176 GPRESSURE: 501400 -19.5127 135.672 -45.9804 200.528 157.449 -129.86 -100.864 -167.282 -176.653 PRESSAVG: 501400 -4.39007 -28.562 2.82351 -28.562 32.9167 -69.1657 2.82345 -69.1658 -17.8881 GPRESSAVG: 501400 -3.29878 -29.4629 3.53819 -25.35 31.6786 -67.3246 3.7429 -68.8916 -17.9711 TIMING: 501400 CPU: 1448.82, 0.00288992/step Wall: 1448.82, 0.00288992/step, 3.61127 hours remaining, 207.476562 MB of memory in use. ENERGY: 501400 738.5840 2047.1046 1950.9187 108.8144 -206233.6014 17830.9692 0.0000 0.0000 34215.3765 -149341.8342 298.8114 -183557.2107 -149254.4710 299.2656 -44.5972 -12.9054 558554.4391 3.5462 3.4696 PRESSURE: 501600 -171.869 -77.647 46.9146 -77.6465 13.9579 -31.3509 46.9129 -31.3524 -307.508 GPRESSURE: 501600 -147.794 -118.519 136.433 27.2936 59.0685 -10.9133 -41.6715 -34.6489 -282.5 PRESSAVG: 501600 -97.1964 -50.8913 -15.2393 -50.8913 61.5347 18.5267 -15.2394 18.5268 33.3574 GPRESSAVG: 501600 -96.7153 -51.3734 -14.1815 -52.815 61.2391 17.3429 -16.7049 17.5651 33.2417 TIMING: 501600 CPU: 1449.4, 0.00288679/step Wall: 1449.4, 0.00288679/step, 3.6072 hours remaining, 207.476562 MB of memory in use. ENERGY: 501600 760.0916 2093.9818 1963.6769 113.0328 -206179.0199 17720.5257 0.0000 0.0000 34279.1805 -149248.5307 299.3686 -183527.7111 -149150.9143 298.9649 -155.1397 -123.7417 559199.4880 -0.7681 -0.7448 PRESSURE: 501800 152.01 69.4826 33.5404 69.4835 83.8183 -42.4727 33.5405 -42.4732 142.873 GPRESSURE: 501800 189.557 100.122 73.0324 87.6725 81.3795 -107.864 4.08381 -60.8761 198.327 PRESSAVG: 501800 17.4534 26.066 -13.5814 26.066 -15.5261 -63.3957 -13.5814 -63.3958 -21.0041 GPRESSAVG: 501800 17.1144 26.9562 -14.8166 28.4025 -15.4793 -62.4816 -12.0282 -63.038 -20.6405 TIMING: 501800 CPU: 1449.97, 0.00289361/step Wall: 1449.97, 0.00289361/step, 3.61557 hours remaining, 207.476562 MB of memory in use. ENERGY: 501800 728.1909 2057.9146 1977.5747 120.5050 -206480.3120 18153.3297 0.0000 0.0000 34190.1849 -149252.6122 298.5914 -183442.7972 -149155.3509 298.7836 126.2335 156.4210 558112.6244 -6.3589 -6.3351 PRESSURE: 502000 180.179 -163.504 76.0867 -163.506 -129.04 177.532 76.0869 177.533 -108.324 GPRESSURE: 502000 140.271 -165.261 45.401 -124.234 -71.4394 183.236 63.5746 138.206 -26.0734 PRESSAVG: 502000 51.0433 9.1357 -14.3384 9.13578 -23.6899 -2.69888 -14.3384 -2.69884 13.8836 GPRESSAVG: 502000 51.207 9.16973 -15.905 8.53506 -23.846 -3.99621 -14.1477 -0.511913 13.9384 TIMING: 502000 CPU: 1450.56, 0.00291324/step Wall: 1450.56, 0.00291324/step, 3.63993 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 502000 745.7126 2099.4496 1944.3056 112.8575 -206131.4325 17830.0039 0.0000 0.0000 34250.3096 -149148.7937 299.1165 -183399.1033 -149049.4168 299.6344 -19.0618 14.2526 559087.7874 13.7456 13.7665 PRESSURE: 502200 -70.9857 -83.0762 -39.7034 -83.0749 -60.8827 134.823 -39.7021 134.825 119.998 GPRESSURE: 502200 -77.3024 -99.3345 -36.8101 -99.6831 16.7984 80.5083 -82.5852 105.828 144.419 PRESSAVG: 502200 7.10861 -25.0758 3.93423 -25.076 23.1235 5.34505 3.9343 5.34507 1.65842 GPRESSAVG: 502200 6.05495 -25.4898 5.36632 -26.4816 23.6287 4.24094 2.58039 5.04814 2.18605 TIMING: 502200 CPU: 1451.14, 0.00292997/step Wall: 1451.14, 0.00292997/step, 3.66068 hours remaining, 207.476562 MB of memory in use. ENERGY: 502200 749.8013 2101.5265 1965.3661 110.3706 -205960.5416 17743.5903 0.0000 0.0000 34152.9105 -149136.9763 298.2659 -183289.8868 -149040.6030 299.0059 -3.9569 27.9718 558578.3684 10.6302 10.6232 PRESSURE: 502400 75.0493 92.714 -29.2326 92.7146 -177.561 70.9011 -29.2333 70.9007 -77.0289 GPRESSURE: 502400 93.0799 122.096 -88.2049 102.191 -177.007 47.9657 -9.97223 90.0524 -0.813109 PRESSAVG: 502400 34.3407 -42.7158 -1.13953 -42.7159 -1.13329 8.63315 -1.13953 8.63312 -38.3156 GPRESSAVG: 502400 33.588 -43.7252 -4.02006 -42.63 -0.44944 13.1729 0.732374 5.30331 -38.2168 TIMING: 502400 CPU: 1451.73, 0.00291482/step Wall: 1451.73, 0.00291482/step, 3.64158 hours remaining, 207.476562 MB of memory in use. ENERGY: 502400 762.3757 2129.6162 1952.6749 113.1621 -205921.1983 17591.4390 0.0000 0.0000 34400.9308 -148970.9996 300.4319 -183371.9304 -148875.3100 298.9047 -59.8469 -28.2466 558355.6187 -1.7027 -1.6927 PRESSURE: 502600 -375.296 117.955 -46.6561 117.954 -196.766 54.7637 -46.6559 54.7626 52.6625 GPRESSURE: 502600 -302.724 139.411 -34.5211 68.339 -147.466 -35.7432 -70.0924 134.625 38.7742 PRESSAVG: 502600 -19.1803 15.3581 -8.59576 15.3581 3.37071 6.47734 -8.59573 6.47736 14.1023 GPRESSAVG: 502600 -17.1405 14.6318 -7.53234 15.4475 3.29366 3.3134 -7.71033 8.40924 12.5741 TIMING: 502600 CPU: 1452.31, 0.0029224/step Wall: 1452.31, 0.00292239/step, 3.65088 hours remaining, 207.476562 MB of memory in use. ENERGY: 502600 742.6499 2114.2652 1963.2078 119.9896 -205427.2891 17298.7542 0.0000 0.0000 34081.8081 -149106.6142 297.6449 -183188.4224 -149009.7687 299.9027 -173.1333 -137.1386 556794.0839 -0.5691 -0.4242 PRESSURE: 502800 -63.531 -15.842 99.198 -15.8409 -92.338 198.654 99.1985 198.654 145.434 GPRESSURE: 502800 -50.9174 -2.96012 33.0453 -29.7981 -58.6798 193.059 70.0617 210.069 196.117 PRESSAVG: 502800 -7.54898 15.3736 12.6605 15.3737 28.3274 -52.5373 12.6606 -52.5372 -22.3 GPRESSAVG: 502800 -7.4496 12.9778 13.3913 16.5809 26.9957 -53.6107 10.5558 -50.942 -21.0011 TIMING: 502800 CPU: 1452.9, 0.00292587/step Wall: 1452.9, 0.00292587/step, 3.65507 hours remaining, 207.476562 MB of memory in use. ENERGY: 502800 759.5257 2109.6549 1953.7960 109.1911 -205935.6781 17624.8401 0.0000 0.0000 34418.9535 -148959.7167 300.5893 -183378.6702 -148869.0353 299.2558 -3.4784 28.8399 556432.9756 -0.5072 -0.4850 PRESSURE: 503000 21.8731 -38.2101 -56.6499 -38.2096 -195.375 12.0187 -56.6485 12.0169 85.9734 GPRESSURE: 503000 40.975 -29.4708 -99.2918 -53.5884 -114.625 -29.7926 -40.9328 -18.1054 74.0792 PRESSAVG: 503000 24.9036 -0.363391 36.6836 -0.363267 -63.5508 43.7073 36.6836 43.7073 43.464 GPRESSAVG: 503000 25.4001 1.44254 37.2079 -2.18581 -63.4861 47.8286 35.405 40.7712 42.5955 TIMING: 503000 CPU: 1453.48, 0.00291844/step Wall: 1453.48, 0.00291844/step, 3.64561 hours remaining, 207.476562 MB of memory in use. ENERGY: 503000 715.3509 2052.4964 1974.3716 112.2689 -205499.8925 17540.3109 0.0000 0.0000 34238.9232 -148866.1706 299.0170 -183105.0938 -148771.0169 299.7749 -29.1762 0.1429 556909.6311 1.6056 1.5032 PRESSURE: 503200 -49.1145 0.860979 -48.0922 0.862393 -102.064 -234.552 -48.0932 -234.551 -59.4302 GPRESSURE: 503200 -72.5844 -79.4498 -52.0345 83.1369 -51.8108 -204.823 -64.4854 -193.362 6.53914 PRESSAVG: 503200 -56.8168 -39.1612 -19.5653 -39.1612 -11.6699 9.90245 -19.5652 9.90254 29.4918 GPRESSAVG: 503200 -57.1715 -39.3892 -18.3162 -36.8932 -12.3151 9.34479 -17.9198 10.6271 29.9202 TIMING: 503200 CPU: 1454.06, 0.00291462/step Wall: 1454.06, 0.00291462/step, 3.64069 hours remaining, 207.476562 MB of memory in use. ENERGY: 503200 766.0321 2020.4624 1966.2798 120.8463 -205703.6797 17712.4462 0.0000 0.0000 34172.5880 -148945.0249 298.4377 -183117.6129 -148846.7908 299.7064 -70.2030 -39.2853 558877.7138 -12.9983 -13.1888 PRESSURE: 503400 -257.286 263.705 -166.681 263.704 -9.59628 -4.77244 -166.68 -4.77103 -157.069 GPRESSURE: 503400 -206.117 278.815 -182.376 232.059 19.0417 -25.2419 -111.731 36.8551 -148.242 PRESSAVG: 503400 -51.998 -11.4487 -27.8557 -11.4487 -26.693 -30.8349 -27.8557 -30.8349 50.7205 GPRESSAVG: 503400 -51.9811 -10.7573 -30.0497 -12.6855 -26.7337 -32.3949 -26.9297 -29.1699 50.9752 TIMING: 503400 CPU: 1454.64, 0.00289371/step Wall: 1454.64, 0.00289371/step, 3.61441 hours remaining, 207.476562 MB of memory in use. ENERGY: 503400 753.9580 2134.3340 1941.0750 107.3663 -206095.9017 17751.5127 0.0000 0.0000 34423.8191 -148983.8367 300.6318 -183407.6558 -148880.3378 299.8301 -141.3168 -111.7724 558767.1756 -9.3235 -9.2465 PRESSURE: 503600 26.678 -70.1968 73.2637 -70.1971 141.168 19.3645 73.2636 19.3648 -41.9394 GPRESSURE: 503600 36.5172 -52.2866 94.4886 -68.7506 187.234 -14.6942 97.6801 81.0953 7.58735 PRESSAVG: 503600 29.7987 28.5898 -11.6726 28.5897 -44.9092 -24.2213 -11.6726 -24.2213 16.3003 GPRESSAVG: 503600 29.1621 30.0775 -9.58894 28.2541 -44.1441 -24.6595 -12.1429 -24.3544 16.4377 TIMING: 503600 CPU: 1455.22, 0.002914/step Wall: 1455.22, 0.002914/step, 3.63958 hours remaining, 207.484375 MB of memory in use. ENERGY: 503600 775.5147 2049.3763 1937.2328 124.9619 -206174.5255 17843.3087 0.0000 0.0000 34409.5937 -149034.5374 300.5075 -183444.1310 -148945.1545 299.9844 41.9689 77.1130 557196.8359 0.3966 0.4852 PRESSURE: 503800 -89.2867 -16.118 -205.576 -16.1194 37.8014 -156.622 -205.577 -156.622 5.57021 GPRESSURE: 503800 -81.5926 74.3679 -253.448 17.7881 122.187 -129.766 -225.467 -150.005 12.5764 PRESSAVG: 503800 -4.59982 -30.3981 38.6173 -30.3981 -15.8473 36.7209 38.6173 36.7209 67.6723 GPRESSAVG: 503800 -4.18995 -32.1797 37.0701 -30.5882 -15.3047 36.6688 38.4789 38.0591 66.8707 TIMING: 503800 CPU: 1455.81, 0.00292448/step Wall: 1455.81, 0.00292448/step, 3.65251 hours remaining, 207.484375 MB of memory in use. ENERGY: 503800 709.1755 2144.9509 1927.4016 110.4771 -206118.6926 17935.3116 0.0000 0.0000 34224.3333 -149067.0425 298.8896 -183291.3758 -148968.6863 299.7183 -15.3050 17.7236 558906.7258 15.7417 15.7920 PRESSURE: 504000 -11.4667 23.5434 -42.917 23.5441 175.458 -109.912 -42.9178 -109.911 -45.9094 GPRESSURE: 504000 25.2297 14.6728 -80.8965 96.2411 182.095 -94.1879 -48.4548 -77.2996 7.65698 PRESSAVG: 504000 51.4718 -13.3991 9.83852 -13.399 -57.1844 32.7351 9.8385 32.7352 22.4798 GPRESSAVG: 504000 52.9662 -12.6252 9.10026 -13.204 -59.0584 32.4975 10.1987 31.4839 23.2488 TIMING: 504000 CPU: 1456.4, 0.0029343/step Wall: 1456.4, 0.0029343/step, 3.66461 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 504000 757.1675 2112.4719 1983.2329 122.0614 -206447.1928 17986.6465 0.0000 0.0000 34350.0081 -149135.6046 299.9872 -183485.6127 -149040.0802 299.6831 39.3608 71.6604 559137.6102 5.5890 5.7188 PRESSURE: 504200 37.3687 69.1254 -134.321 69.1246 4.88107 57.244 -134.321 57.2447 119.937 GPRESSURE: 504200 101.472 48.1455 -140.051 60.4569 11.4606 90.757 -200.202 40.7234 158.956 PRESSAVG: 504200 70.9394 -7.7752 -71.6265 -7.77524 -3.9385 -0.41687 -71.6265 -0.41679 -35.8996 GPRESSAVG: 504200 70.1857 -6.96864 -71.1948 -8.2596 -2.76938 0.574285 -70.8878 -1.65608 -36.6335 TIMING: 504200 CPU: 1456.98, 0.00291012/step Wall: 1456.98, 0.00291012/step, 3.63426 hours remaining, 207.484375 MB of memory in use. ENERGY: 504200 776.4123 2057.3647 1943.9327 99.5940 -206282.5135 17821.3677 0.0000 0.0000 34431.1151 -149152.7270 300.6955 -183583.8421 -149053.4201 299.5078 54.0622 90.6297 557632.5464 10.3671 10.2610 LDB: ============= START OF LOAD BALANCING ============== 1460.36 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1460.36 LDB: =============== DONE WITH MIGRATION ================ 1460.36 LDB: ============= START OF LOAD BALANCING ============== 1460.66 LDB: Largest compute 4822 load 0.027815 is 23.6% of average load 0.117882 LDB: Average compute 0.001709 is 1.5% of average load 0.117882 LDB: TIME 1460.66 LOAD: AVG 0.117882 MAX 0.182883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.055 MB LDB: TIME 1460.66 LOAD: AVG 0.117882 MAX 0.182883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.148 MB LDB: TIME 1460.66 LOAD: AVG 0.117882 MAX 0.182883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1460.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1460.67 PRESSURE: 504400 -76.1523 -11.1188 103.025 -11.1193 46.2629 166.694 103.024 166.696 -201.484 GPRESSURE: 504400 -97.8236 -79.4989 60.6129 29.4337 106.989 115.974 73.9413 207.47 -133.646 PRESSAVG: 504400 -9.57119 -20.639 31.035 -20.639 29.9164 -18.4413 31.035 -18.4412 -24.9163 GPRESSAVG: 504400 -9.1365 -20.8933 30.7846 -20.4261 29.366 -17.3229 30.2848 -16.2405 -25.0517 TIMING: 504400 CPU: 1457.57, 0.00296057/step Wall: 1457.57, 0.00296056/step, 3.69709 hours remaining, 206.562500 MB of memory in use. ENERGY: 504400 728.9703 2095.6944 1926.0122 138.4650 -205920.0252 17671.7074 0.0000 0.0000 34211.1087 -149148.0672 298.7741 -183359.1759 -149042.6380 299.3510 -77.1243 -41.4935 557920.0868 -1.5237 -1.6074 PRESSURE: 504600 -279.624 64.6392 57.7069 64.6401 27.8411 149.541 57.7058 149.542 168.849 GPRESSURE: 504600 -198.324 34.541 10.8542 51.3819 35.0249 169.269 36.8614 54.6156 164.558 PRESSAVG: 504600 -38.3364 -21.264 -6.2586 -21.264 12.4796 -11.0405 -6.25866 -11.0406 -26.5142 GPRESSAVG: 504600 -38.6076 -22.7915 -5.7575 -19.3786 13.6234 -12.1322 -5.86186 -12.4663 -27.6423 TIMING: 504600 CPU: 1458.15, 0.00291047/step Wall: 1458.15, 0.00291047/step, 3.63437 hours remaining, 206.765625 MB of memory in use. ENERGY: 504600 732.0884 2105.0698 1955.8825 107.0110 -205694.7446 17716.9934 0.0000 0.0000 34003.6729 -149074.0267 296.9625 -183077.6996 -148978.2844 299.3042 -27.6447 0.4194 557813.9424 -17.4570 -17.5422 PRESSURE: 504800 189.372 -147.975 -23.1063 -147.974 -137.743 -54.0788 -23.1061 -54.0805 280.94 GPRESSURE: 504800 246.018 -113.837 21.7356 -184.387 -85.5373 -18.5277 -11.013 -26.6061 272.364 PRESSAVG: 504800 30.0381 -29.0119 12.6052 -29.0118 -0.379476 2.75595 12.6052 2.75592 -23.9024 GPRESSAVG: 504800 30.3191 -29.4562 12.9137 -30.336 -0.653675 2.48185 12.8876 2.35968 -23.8511 TIMING: 504800 CPU: 1458.73, 0.00290746/step Wall: 1458.73, 0.00290746/step, 3.63044 hours remaining, 206.765625 MB of memory in use. ENERGY: 504800 735.4083 2057.1592 1927.2675 96.6935 -205900.7748 17865.5867 0.0000 0.0000 34217.6012 -149001.0584 298.8308 -183218.6597 -148903.0180 299.4586 110.8565 144.2814 557874.0291 1.9187 1.9381 PRESSURE: 505000 180.924 -185.44 -31.9847 -185.44 66.2807 -110.318 -31.9832 -110.319 166.649 GPRESSURE: 505000 170.054 -200.989 -49.3932 -156.217 107.697 -87.3454 -41.8935 -92.0746 224.664 PRESSAVG: 505000 5.79704 -45.272 47.6937 -45.272 1.38502 30.0082 47.6937 30.0083 -21.8105 GPRESSAVG: 505000 5.80157 -45.56 46.7351 -44.3097 1.65889 29.9793 47.7921 30.4505 -21.8932 TIMING: 505000 CPU: 1459.31, 0.00289063/step Wall: 1459.31, 0.00289063/step, 3.60927 hours remaining, 206.765625 MB of memory in use. ENERGY: 505000 708.7336 2124.0002 1954.6694 108.8202 -206057.1079 17958.5238 0.0000 0.0000 34122.3637 -149079.9970 297.9991 -183202.3607 -148983.5740 299.3629 137.9512 167.4719 558255.4172 -4.8761 -4.8109 PRESSURE: 505200 259.572 -92.4527 -104.607 -92.4521 244.451 -25.0088 -104.606 -25.0094 87.2447 GPRESSURE: 505200 296.544 -72.7785 -158.033 -34.5697 296.53 -152.587 -81.2415 70.107 95.1873 PRESSAVG: 505200 35.7667 11.2775 48.746 11.2775 -22.8542 77.5931 48.746 77.5932 13.2495 GPRESSAVG: 505200 36.1863 12.1252 50.9201 10.002 -23.4506 75.6724 48.8871 78.4408 13.3989 TIMING: 505200 CPU: 1459.89, 0.0028989/step Wall: 1459.89, 0.0028989/step, 3.61944 hours remaining, 206.765625 MB of memory in use. ENERGY: 505200 733.6310 2107.1191 1947.6345 114.4608 -206490.0828 18130.0267 0.0000 0.0000 34293.0596 -149164.1511 299.4898 -183457.2107 -149064.2114 299.2731 197.0890 229.4205 557672.7637 8.7207 8.7115 PRESSURE: 505400 60.8767 74.444 2.68858 74.443 -120.005 -76.5599 2.68741 -76.5617 -31.585 GPRESSURE: 505400 65.0966 152.327 -42.9214 107.366 -33.6374 -130.213 -7.28685 -50.1606 -28.2963 PRESSAVG: 505400 5.37481 -31.5598 -26.7881 -31.5597 -43.4285 18.8729 -26.7881 18.8729 1.29574 GPRESSAVG: 505400 6.05411 -32.2408 -27.4011 -30.9066 -44.0215 20.4451 -27.6214 18.438 1.28319 TIMING: 505400 CPU: 1460.48, 0.00294977/step Wall: 1460.48, 0.00294977/step, 3.68279 hours remaining, 206.765625 MB of memory in use. ENERGY: 505400 754.6843 2126.5052 1973.0458 100.8436 -206218.1944 17964.2003 0.0000 0.0000 34127.5661 -149171.3492 298.0445 -183298.9153 -149078.8909 299.0925 -30.2376 1.0543 558261.6902 -12.2526 -12.2281 PRESSURE: 505600 -74.8908 92.6749 226.994 92.6747 -43.5616 -44.7212 226.994 -44.7244 78.4777 GPRESSURE: 505600 -38.3807 44.6946 136.873 95.0062 -40.7003 -0.941642 255.99 -55.8254 129.942 PRESSAVG: 505600 11.2956 12.5531 -0.346447 12.5532 -7.15794 -8.04503 -0.346394 -8.04518 -63.9181 GPRESSAVG: 505600 9.82684 12.1606 0.499411 12.1717 -5.25958 -7.01952 -1.46021 -7.90512 -64.53 TIMING: 505600 CPU: 1461.07, 0.00293894/step Wall: 1461.07, 0.00293894/step, 3.66911 hours remaining, 206.765625 MB of memory in use. ENERGY: 505600 724.4985 2074.2745 1961.9993 115.6876 -206203.8559 17855.0088 0.0000 0.0000 34326.4791 -149145.9080 299.7817 -183472.3871 -149046.8556 298.8708 -13.3249 16.9535 558948.2591 -19.9268 -19.9876 PRESSURE: 505800 109.924 -139.829 -53.7878 -139.83 -26.3733 -160.495 -53.7869 -160.496 -55.6728 GPRESSURE: 505800 95.2115 -117.006 -10.4479 -94.5319 50.7734 -80.6921 -46.8358 -133.461 -30.6714 PRESSAVG: 505800 15.9689 20.7703 20.445 20.7704 34.7082 -9.6206 20.445 -9.62048 -25.1496 GPRESSAVG: 505800 16.1659 20.4565 18.1788 22.5409 34.2767 -10.8406 22.4974 -10.0822 -24.6094 TIMING: 505800 CPU: 1461.65, 0.00288961/step Wall: 1461.65, 0.00288961/step, 3.60735 hours remaining, 206.765625 MB of memory in use. ENERGY: 505800 709.6803 2116.1226 1946.6345 127.9206 -206405.8556 17938.5271 0.0000 0.0000 34311.2012 -149255.7693 299.6483 -183566.9706 -149155.0668 300.2014 9.2925 38.4378 556740.2881 8.5092 8.6111 PRESSURE: 506000 -43.7135 -111.484 107.741 -111.484 -0.98996 -36.2985 107.742 -36.2984 -314.298 GPRESSURE: 506000 7.45932 -128.121 32.712 -127.399 62.6436 -25.2309 164.089 -102.515 -313.183 PRESSAVG: 506000 -15.1952 -34.2424 -25.1298 -34.2424 27.3965 -10.8399 -25.1298 -10.8397 -1.39732 GPRESSAVG: 506000 -15.128 -33.0334 -24.6213 -35.6677 26.8153 -11.3093 -26.3467 -11.6581 -0.419096 TIMING: 506000 CPU: 1462.23, 0.00289248/step Wall: 1462.23, 0.00289248/step, 3.61078 hours remaining, 206.828125 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: 506000 759.9648 2089.1844 1929.1704 104.0202 -206216.8768 17713.1986 0.0000 0.0000 34290.2723 -149331.0661 299.4655 -183621.3384 -149238.2516 299.1458 -119.6672 -81.0267 557787.1217 3.6014 3.7561 PRESSURE: 506200 -68.2425 177.05 -83.6326 177.049 269.92 -76.8163 -83.6332 -76.8159 144.379 GPRESSURE: 506200 -12.3676 193.778 -58.6199 86.6882 335.485 -36.3297 -121.296 -84.9968 114.322 PRESSAVG: 506200 -39.5074 20.1162 -1.39183 20.1162 32.8006 19.6022 -1.39175 19.6023 24.7712 GPRESSAVG: 506200 -38.8019 20.0341 -1.16238 19.9256 32.5379 21.2485 -0.938871 20.3648 24.6496 TIMING: 506200 CPU: 1462.8, 0.00289192/step Wall: 1462.8, 0.00289192/step, 3.60992 hours remaining, 206.828125 MB of memory in use. ENERGY: 506200 767.4059 2077.6214 1971.1065 110.1937 -206153.6313 17992.9764 0.0000 0.0000 34208.8946 -149025.4328 298.7548 -183234.3274 -148933.2711 299.6453 115.3523 145.8129 556271.8069 6.0215 6.1286 PRESSURE: 506400 68.83 -146.094 129.14 -146.096 158.716 -43.315 129.138 -43.3155 -154.797 GPRESSURE: 506400 113.96 -150.919 108.1 -68.5132 189.153 -91.4036 61.4332 -18.3046 -133.183 PRESSAVG: 506400 -2.87025 40.8074 -2.2136 40.8074 78.1813 60.5087 -2.21366 60.5086 -89.3541 GPRESSAVG: 506400 -2.85168 41.478 -4.00515 41.2571 78.5441 60.0486 -0.456235 59.3445 -90.0888 TIMING: 506400 CPU: 1463.38, 0.00287042/step Wall: 1463.38, 0.00287042/step, 3.58292 hours remaining, 206.828125 MB of memory in use. ENERGY: 506400 765.3138 2087.3741 1940.7413 119.7664 -206447.6345 17870.7730 0.0000 0.0000 34416.8055 -149246.8603 300.5705 -183663.6658 -149146.6623 299.5906 24.2494 56.6432 556012.1480 -4.6810 -4.7988 PRESSURE: 506600 -160.788 23.2243 -14.2328 23.2247 -38.8746 141.297 -14.2329 141.299 55.6095 GPRESSURE: 506600 -133.881 -46.0366 -39.4085 188.595 -23.454 125.718 15.3633 69.7336 100.239 PRESSAVG: 506600 -26.8209 -8.83823 -21.5136 -8.83821 -9.45686 -20.425 -21.5136 -20.4249 -17.8208 GPRESSAVG: 506600 -28.0345 -7.62545 -18.9393 -9.92593 -8.28841 -19.5253 -23.2631 -21.7137 -18.1232 TIMING: 506600 CPU: 1463.96, 0.00289553/step Wall: 1463.96, 0.00289553/step, 3.6141 hours remaining, 206.828125 MB of memory in use. ENERGY: 506600 730.3483 2080.9618 1942.5893 119.0520 -206081.9540 17692.1251 0.0000 0.0000 34368.0529 -149148.8247 300.1448 -183516.8776 -149048.4690 299.5335 -48.0177 -19.0322 555923.2060 -18.0329 -18.1487 PRESSURE: 506800 -258.579 3.47262 86.5864 3.47399 -24.8395 -112.673 86.5863 -112.674 -280.829 GPRESSURE: 506800 -200.432 71.9671 79.926 -40.6045 -2.21301 -143.273 49.8711 -81.7463 -259.054 PRESSAVG: 506800 2.33664 33.0966 -0.793178 33.0966 -47.2302 23.1895 -0.793254 23.1896 41.7309 GPRESSAVG: 506800 2.54115 30.9405 -1.33937 34.8511 -47.5308 19.49 0.803125 25.4232 42.3467 TIMING: 506800 CPU: 1464.53, 0.00288683/step Wall: 1464.53, 0.00288683/step, 3.60309 hours remaining, 206.828125 MB of memory in use. ENERGY: 506800 765.7116 2118.7498 1953.4774 104.5498 -206073.0731 17474.6974 0.0000 0.0000 34415.5723 -149240.3147 300.5598 -183655.8871 -149143.5614 299.8348 -188.0826 -153.8996 557127.9512 -1.0542 -0.8810 PRESSURE: 507000 -18.4132 111.37 5.94938 111.37 -151.589 -81.6632 5.94938 -81.6633 -167.178 GPRESSURE: 507000 -3.15059 160.881 -42.7631 230.698 -154.899 25.9408 0.268737 -154.4 -77.8611 PRESSAVG: 507000 -11.5237 33.6219 -35.8234 33.6219 -16.5541 -43.6544 -35.8234 -43.6545 34.1272 GPRESSAVG: 507000 -10.7301 33.9758 -36.3259 32.8221 -16.6147 -40.2295 -36.7592 -45.3444 33.5791 TIMING: 507000 CPU: 1465.11, 0.00287043/step Wall: 1465.11, 0.00287043/step, 3.58246 hours remaining, 206.828125 MB of memory in use. ENERGY: 507000 739.8914 2082.3992 1949.3552 124.8927 -205837.1892 17610.9963 0.0000 0.0000 34311.9062 -149017.7482 299.6544 -183329.6543 -148933.6073 299.9303 -112.3934 -78.6368 558316.9414 2.0165 2.0781 PRESSURE: 507200 -37.8544 49.1093 -79.1286 49.11 53.851 -55.7118 -79.1287 -55.7123 -311.551 GPRESSURE: 507200 -46.6248 172.873 -28.7793 149.075 79.4097 -69.0822 -90.4646 24.5962 -232.616 PRESSAVG: 507200 14.8629 21.216 37.9548 21.2159 29.9292 -42.6811 37.9548 -42.6811 -49.4919 GPRESSAVG: 507200 14.0198 20.2553 38.9708 23.1852 29.8554 -46.0626 37.4046 -41.865 -48.3109 TIMING: 507200 CPU: 1465.68, 0.00287294/step Wall: 1465.68, 0.00287294/step, 3.58543 hours remaining, 206.828125 MB of memory in use. ENERGY: 507200 733.1636 2083.9705 1971.2810 106.5602 -205998.1319 17747.1943 0.0000 0.0000 34295.0981 -149060.8642 299.5076 -183355.9623 -148970.4676 299.7838 -98.5180 -66.6105 559503.9550 -1.5666 -1.4786 PRESSURE: 507400 -155.154 123.636 13.7659 123.636 23.134 -30.9908 13.7644 -30.9883 71.5186 GPRESSURE: 507400 -96.9174 76.8005 -9.05017 155.896 55.5118 -111.394 2.39335 46.683 78.7673 PRESSAVG: 507400 -18.0671 10.6411 -6.44548 10.641 0.0417945 -23.2663 -6.44559 -23.2664 -15.613 GPRESSAVG: 507400 -18.9576 8.07211 -5.02729 9.12959 -0.58519 -21.0766 -5.6504 -23.7538 -14.6061 TIMING: 507400 CPU: 1466.26, 0.00286827/step Wall: 1466.26, 0.00286827/step, 3.57944 hours remaining, 206.828125 MB of memory in use. ENERGY: 507400 802.8049 2099.4908 2007.7307 107.7236 -206167.5670 17962.8750 0.0000 0.0000 34273.4800 -148913.4620 299.3188 -183186.9420 -148821.3335 299.5170 -20.1672 12.4539 557522.6762 -11.2128 -11.3830 PRESSURE: 507600 -77.5208 -134.867 208.059 -134.867 -192.888 13.2769 208.059 13.2766 -144.351 GPRESSURE: 507600 -48.9157 -204.108 228.368 -113.472 -160.398 105.254 171.937 28.1404 -87.715 PRESSAVG: 507600 -7.9417 -7.77008 13.0617 -7.77004 7.44919 -8.87986 13.0616 -8.87993 35.923 GPRESSAVG: 507600 -6.75718 -4.50989 11.2867 -7.46548 6.733 -9.3759 14.9832 -8.21944 35.8153 TIMING: 507600 CPU: 1466.84, 0.00289317/step Wall: 1466.84, 0.00289317/step, 3.61035 hours remaining, 206.828125 MB of memory in use. ENERGY: 507600 755.0907 2065.0281 1968.3738 109.1301 -205844.0643 17592.8870 0.0000 0.0000 34206.5946 -149146.9600 298.7347 -183353.5546 -149053.2760 299.7182 -138.2534 -99.0095 558343.7821 11.8102 11.9304 PRESSURE: 507800 -56.0966 93.6553 -67.7901 93.6545 -140.147 -8.82503 -67.7907 -8.82649 -250.888 GPRESSURE: 507800 -35.6946 166.71 -4.6944 67.6408 -131.663 -51.5467 -77.9074 -66.9992 -192.585 PRESSAVG: 507800 -38.1844 32.7693 -16.7182 32.7692 1.18249 0.601026 -16.7182 0.601059 54.6269 GPRESSAVG: 507800 -38.562 29.4569 -16.8924 33.4825 1.90635 -0.467285 -18.2408 0.279746 53.8772 TIMING: 507800 CPU: 1467.42, 0.00290237/step Wall: 1467.42, 0.00290237/step, 3.62167 hours remaining, 206.828125 MB of memory in use. ENERGY: 507800 775.1283 2047.1365 1946.3362 114.2857 -206010.7486 17616.0455 0.0000 0.0000 34392.0930 -149119.7234 300.3547 -183511.8164 -149024.4663 299.9187 -149.0438 -119.9810 557986.2699 5.8750 5.7405 PRESSURE: 508000 -30.4594 -40.5786 -159.759 -40.5799 -67.7351 -52.4565 -159.759 -52.4583 81.815 GPRESSURE: 508000 -60.9737 -43.6477 -231.682 12.3151 -11.4141 -63.7895 -104.439 -21.0906 145.216 PRESSAVG: 508000 -60.4162 35.3378 -30.1962 35.3376 13.7623 20.9705 -30.1963 20.9705 19.0911 GPRESSAVG: 508000 -60.414 36.9675 -30.2404 33.1103 13.8894 20.6016 -30.6954 19.9981 19.1499 TIMING: 508000 CPU: 1468, 0.00289988/step Wall: 1468, 0.00289988/step, 3.61841 hours remaining, 206.828125 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: 508000 756.0192 2133.6985 1933.5508 105.7926 -206114.2058 17808.9868 0.0000 0.0000 33967.2850 -149408.8729 296.6447 -183376.1579 -149314.0766 299.1403 -5.4598 24.2761 557205.4038 -9.1876 -9.1249 PRESSURE: 508200 5.94599 -102.285 -26.0559 -102.286 -284.851 5.09101 -26.0549 5.09176 -105.35 GPRESSURE: 508200 -0.0780312 -70.7578 -111.956 -123.654 -244.571 3.46535 -7.84186 0.0813324 -41.9238 PRESSAVG: 508200 -45.529 19.743 32.7949 19.743 9.18997 -25.9132 32.795 -25.9133 26.5512 GPRESSAVG: 508200 -45.2129 20.554 32.3913 19.2609 8.81585 -23.8129 34.6189 -24.961 26.3338 TIMING: 508200 CPU: 1468.57, 0.00289465/step Wall: 1468.57, 0.00289465/step, 3.61172 hours remaining, 206.828125 MB of memory in use. ENERGY: 508200 785.7397 2133.4702 1941.0962 112.2038 -206291.5601 17659.8864 0.0000 0.0000 34297.6577 -149361.5062 299.5300 -183659.1639 -149265.9977 298.6191 -128.0850 -95.5242 556869.6172 -3.2626 -3.3544 LDB: ============= START OF LOAD BALANCING ============== 1471.96 LDB: ============== END OF LOAD BALANCING =============== 1471.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1471.96 LDB: ============= START OF LOAD BALANCING ============== 1472.25 LDB: Largest compute 4820 load 0.029248 is 24.8% of average load 0.117884 LDB: Average compute 0.001715 is 1.5% of average load 0.117884 LDB: TIME 1472.25 LOAD: AVG 0.117884 MAX 0.179254 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.586 MB LDB: TIME 1472.25 LOAD: AVG 0.117884 MAX 0.179254 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.82 MB LDB: TIME 1472.25 LOAD: AVG 0.117884 MAX 0.179254 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.82 MB LDB: ============== END OF LOAD BALANCING =============== 1472.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1472.26 PRESSURE: 508400 -115.525 -129.262 -88.2238 -129.263 -134.844 -35.3797 -88.223 -35.3822 9.52816 GPRESSURE: 508400 -98.4031 -51.4396 -108.362 -109.542 -91.6611 -30.0557 -15.5125 -70.6379 56.6909 PRESSAVG: 508400 -47.3684 -2.00638 -55.0988 -2.00635 12.231 -21.021 -55.0988 -21.021 27.9775 GPRESSAVG: 508400 -47.3801 -2.92615 -53.9317 0.0739792 12.3564 -20.7086 -57.2314 -20.9186 28.5268 TIMING: 508400 CPU: 1469.16, 0.00294136/step Wall: 1469.16, 0.00294136/step, 3.66984 hours remaining, 205.515625 MB of memory in use. ENERGY: 508400 738.8205 2091.5765 1946.2834 112.1873 -206545.3218 17847.6686 0.0000 0.0000 34505.9366 -149302.8489 301.3489 -183808.7855 -149203.5692 299.0680 -80.2804 -44.4578 557005.8928 -2.3867 -2.1656 PRESSURE: 508600 328.507 -100.263 3.90248 -100.264 -113.601 278.043 3.90354 278.044 302.523 GPRESSURE: 508600 388.37 -90.4411 3.32147 -96.1517 -57.7827 194.503 40.5469 294.811 286.817 PRESSAVG: 508600 11.9143 22.435 -35.8842 22.4351 -85.8025 -25.1728 -35.8841 -25.1728 50.6215 GPRESSAVG: 508600 12.6503 22.6014 -36.2793 21.1685 -85.1414 -27.3208 -33.2666 -24.1597 49.3893 TIMING: 508600 CPU: 1469.75, 0.00291469/step Wall: 1469.75, 0.00291469/step, 3.6364 hours remaining, 205.515625 MB of memory in use. ENERGY: 508600 694.2651 2140.4083 1942.3389 107.0025 -206176.9801 17944.0128 0.0000 0.0000 34112.9119 -149236.0405 297.9165 -183348.9525 -149144.1537 299.2992 172.4763 205.8014 557875.2367 -7.7556 -7.7006 PRESSURE: 508800 100.283 -102.894 -121.867 -102.893 -72.5689 -8.82567 -121.867 -8.82661 7.51141 GPRESSURE: 508800 150.183 -90.03 -96.799 -149.376 -57.2177 -13.3983 -131.629 -61.6453 50.9305 PRESSAVG: 508800 -60.9658 -26.6911 -18.0097 -26.6911 -42.2461 40.1376 -18.0096 40.1376 94.3367 GPRESSAVG: 508800 -60.8784 -27.4514 -18.3341 -26.3053 -43.4927 39.0745 -20.2771 39.3761 95.9973 TIMING: 508800 CPU: 1470.32, 0.00288515/step Wall: 1470.32, 0.00288515/step, 3.59939 hours remaining, 205.515625 MB of memory in use. ENERGY: 508800 747.4354 2064.3916 1974.6723 121.5221 -206374.6585 17924.2020 0.0000 0.0000 34315.7655 -149226.6696 299.6881 -183542.4351 -149140.3056 299.1065 11.7417 47.9654 556791.9566 -2.9584 -2.7913 PRESSURE: 509000 -123.008 22.5517 -162.412 22.5518 45.0365 -96.7139 -162.412 -96.7137 29.9357 GPRESSURE: 509000 -61.0112 19.225 -149.991 4.14562 63.8487 -75.5686 -156.974 -71.4318 48.9996 PRESSAVG: 509000 -45.7808 46.232 -28.7664 46.2321 11.7045 -2.79045 -28.7663 -2.79047 16.0047 GPRESSAVG: 509000 -45.1012 46.4161 -27.1527 46.4143 12.0033 0.328008 -27.005 -3.45623 15.4314 TIMING: 509000 CPU: 1470.9, 0.00290566/step Wall: 1470.9, 0.00290566/step, 3.62481 hours remaining, 205.515625 MB of memory in use. ENERGY: 509000 730.1308 2051.0361 1950.1887 111.7712 -206176.7522 17857.3047 0.0000 0.0000 34327.8808 -149148.4398 299.7939 -183476.3206 -149053.5571 298.8643 -16.0118 17.2790 558634.5965 -6.0239 -5.8888 PRESSURE: 509200 -61.5622 47.8905 138.683 47.8894 52.0039 22.679 138.682 22.6782 -183.918 GPRESSURE: 509200 -11.0499 -3.75056 186.213 -10.6772 42.7075 -2.54524 18.5498 35.2322 -128.78 PRESSAVG: 509200 -19.0491 71.7711 73.3476 71.7711 40.7929 -4.66147 73.3475 -4.66149 -44.4386 GPRESSAVG: 509200 -19.4139 71.7455 71.6383 71.8195 41.3697 -3.50092 72.1319 -5.8233 -44.4809 TIMING: 509200 CPU: 1471.48, 0.00288652/step Wall: 1471.48, 0.00288652/step, 3.60077 hours remaining, 205.515625 MB of memory in use. ENERGY: 509200 771.7734 2089.0169 1941.0281 109.3891 -206097.3425 17727.0391 0.0000 0.0000 34340.7318 -149118.3640 299.9062 -183459.0958 -149022.5187 299.2004 -64.4922 -32.3743 557454.6809 -7.5650 -7.5084 PRESSURE: 509400 -84.2004 -118.226 -100.09 -118.227 -387.484 72.7725 -100.09 72.7741 13.1362 GPRESSURE: 509400 -91.2772 -91.3395 -174.313 -12.6555 -366.734 -10.9142 -108.485 85.9667 77.9339 PRESSAVG: 509400 15.1396 6.06404 18.2927 6.06405 -10.9452 17.0784 18.2928 17.0784 16.3049 GPRESSAVG: 509400 14.4815 4.67263 17.8321 7.2418 -12.2977 15.6889 19.1217 17.0473 18.216 TIMING: 509400 CPU: 1472.06, 0.00287055/step Wall: 1472.06, 0.00287055/step, 3.58069 hours remaining, 205.515625 MB of memory in use. ENERGY: 509400 781.3948 2027.2849 1951.6643 108.3078 -205839.4874 17560.5729 0.0000 0.0000 34132.1889 -149278.0738 298.0849 -183410.2627 -149179.4091 298.5748 -152.8494 -126.6926 557395.8185 6.8331 6.7999 PRESSURE: 509600 19.9349 -39.5479 -99.5688 -39.5486 -6.81883 36.2115 -99.569 36.2113 25.7403 GPRESSURE: 509600 30.844 -65.2491 -146.105 -48.8376 -42.766 96.9842 -60.3062 78.7793 149.159 PRESSAVG: 509600 -27.0304 10.197 0.0408981 10.1971 -19.7133 42.9035 0.040913 42.9036 -6.69924 GPRESSAVG: 509600 -27.0347 12.2015 0.677763 8.37615 -16.8822 43.5038 -3.59302 43.6842 -9.38727 TIMING: 509600 CPU: 1472.63, 0.00288391/step Wall: 1472.63, 0.00288391/step, 3.5972 hours remaining, 205.515625 MB of memory in use. ENERGY: 509600 738.9328 2067.2220 1936.3680 98.8488 -206321.3184 17799.1400 0.0000 0.0000 34381.5334 -149299.2732 300.2625 -183680.8067 -149200.3388 298.4417 12.9521 45.7458 557185.5622 -17.8143 -17.7681 PRESSURE: 509800 -204.646 -76.2398 4.35377 -76.2403 -7.89705 50.7421 4.35325 50.7429 -5.09605 GPRESSURE: 509800 -173.246 -56.2607 57.3978 -53.4936 40.9621 137.215 -23.7031 39.037 11.2294 PRESSAVG: 509800 0.323699 -1.63318 24.3414 -1.63313 -5.77148 -16.5771 24.3414 -16.577 -7.11218 GPRESSAVG: 509800 0.840472 -4.2474 24.971 -0.033926 -7.66419 -16.6011 26.4114 -14.1153 -5.89159 TIMING: 509800 CPU: 1473.21, 0.00287381/step Wall: 1473.21, 0.00287381/step, 3.58444 hours remaining, 205.515625 MB of memory in use. ENERGY: 509800 765.6029 2064.5449 1943.2415 103.1718 -206317.3847 17868.9766 0.0000 0.0000 34357.5853 -149214.2617 300.0533 -183571.8470 -149126.0837 298.9087 -72.5462 -40.3514 556537.6985 -4.1867 -4.2384 PRESSURE: 510000 252.122 13.2385 3.6153 13.2379 22.7343 140.314 3.61395 140.315 46.6544 GPRESSURE: 510000 268.1 -69.7346 -30.2168 7.27641 59.0719 135.466 59.3735 166.888 83.9237 PRESSAVG: 510000 8.88934 16.0577 -26.6731 16.0576 15.2112 27.927 -26.6731 27.9271 -17.7518 GPRESSAVG: 510000 8.90562 17.1673 -26.9641 14.697 15.2858 27.1704 -26.384 25.783 -18.0607 TIMING: 510000 CPU: 1473.78, 0.00287815/step Wall: 1473.78, 0.00287815/step, 3.58969 hours remaining, 205.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 510000 692.1662 2073.3661 1949.6724 112.6343 -206887.0834 18144.5627 0.0000 0.0000 34649.7886 -149264.8931 302.6052 -183914.6817 -149167.3900 299.7934 107.1701 137.0318 556826.5647 2.1162 2.0436 PRESSURE: 510200 -287.474 -74.5816 -19.8431 -74.5814 -129.723 35.5832 -19.8418 35.583 -118.939 GPRESSURE: 510200 -246.697 -44.9015 -67.2007 -127.303 -97.6357 52.3423 30.8758 106.57 -105.956 PRESSAVG: 510200 46.732 2.48498 -11.7548 2.48501 2.28448 14.9952 -11.7549 14.9953 3.80446 GPRESSAVG: 510200 48.3729 5.38885 -12.9463 2.6102 1.35321 16.6789 -11.1841 14.4278 3.44671 TIMING: 510200 CPU: 1474.36, 0.00288515/step Wall: 1474.36, 0.00288515/step, 3.59826 hours remaining, 205.515625 MB of memory in use. ENERGY: 510200 745.6177 2080.3768 1945.6978 101.0106 -206544.2073 17779.2600 0.0000 0.0000 34534.2883 -149357.9563 301.5965 -183892.2445 -149262.9063 300.1208 -178.7119 -150.0962 558390.9779 17.6070 17.7243 PRESSURE: 510400 -144.963 -62.1096 75.8406 -62.1104 59.7987 -166.611 75.8417 -166.608 -28.5116 GPRESSURE: 510400 -105.873 -33.5447 1.8808 -40.7692 25.1816 -242.142 98.4111 -148.722 63.6218 PRESSAVG: 510400 -51.5073 -1.02001 -34.4022 -1.01991 35.7709 -30.4186 -34.4023 -30.4186 30.6338 GPRESSAVG: 510400 -52.2672 -3.70987 -33.1504 -1.57871 36.6759 -30.734 -33.9771 -30.1253 30.3448 TIMING: 510400 CPU: 1474.93, 0.0028723/step Wall: 1474.93, 0.0028723/step, 3.58208 hours remaining, 205.515625 MB of memory in use. ENERGY: 510400 751.9680 2115.2384 1971.3600 133.3809 -206027.7389 17708.6378 0.0000 0.0000 34054.1710 -149292.9826 297.4035 -183347.1537 -149201.3904 298.7876 -37.8921 -5.6898 558297.9174 4.9658 4.9178 PRESSURE: 510600 269.857 191.758 99.6546 191.759 175.443 -157.276 99.6547 -157.278 0.0249612 GPRESSURE: 510600 322.103 187.654 114.682 156.903 178.067 -225.028 94.1445 -233.612 49.2675 PRESSAVG: 510600 45.8895 -16.6669 35.7493 -16.6669 -19.1065 -63.9577 35.7493 -63.9578 -80.4607 GPRESSAVG: 510600 44.9447 -14.9866 35.1217 -16.689 -18.3531 -66.7682 36.503 -61.1178 -80.6555 TIMING: 510600 CPU: 1475.51, 0.00287502/step Wall: 1475.51, 0.00287502/step, 3.58531 hours remaining, 205.515625 MB of memory in use. ENERGY: 510600 735.5525 2080.2112 1976.0530 126.9328 -206449.1559 18034.9615 0.0000 0.0000 34055.9251 -149439.5198 297.4189 -183495.4449 -149344.9368 297.7297 148.4417 183.1460 557030.7417 -17.8926 -18.0213 PRESSURE: 510800 120.45 49.1984 -58.5259 49.1996 61.6617 74.8571 -58.5259 74.8581 27.5606 GPRESSURE: 510800 130.085 44.752 -16.7826 76.9624 128.368 29.9775 -86.6728 44.9209 41.8732 PRESSAVG: 510800 8.15654 -2.098 34.1036 -2.09797 19.8587 9.06032 34.1035 9.06037 -50.936 GPRESSAVG: 510800 8.45402 -4.69564 33.7492 -1.90243 20.2257 9.10665 32.4716 7.35356 -51.5895 TIMING: 510800 CPU: 1476.09, 0.00289511/step Wall: 1476.09, 0.00289511/step, 3.61021 hours remaining, 205.515625 MB of memory in use. ENERGY: 510800 710.0816 2136.9429 1946.6755 116.1025 -206656.9134 17949.9526 0.0000 0.0000 34303.3343 -149493.8240 299.5796 -183797.1583 -149399.1093 298.5040 69.8908 100.1088 556816.3869 -7.6403 -7.6366 PRESSURE: 511000 60.503 19.5658 -142.469 19.5663 99.9122 -6.41961 -142.469 -6.41807 147.157 GPRESSURE: 511000 13.9371 18.4472 -209.646 -70.635 145.944 53.4458 -56.5561 -26.3378 228.975 PRESSAVG: 511000 -10.276 -24.2148 -46.684 -24.2149 38.6778 38.15 -46.6839 38.1501 -14.5081 GPRESSAVG: 511000 -12.1505 -23.8464 -47.636 -21.2515 38.5538 38.1583 -46.519 37.1528 -12.5616 TIMING: 511000 CPU: 1476.67, 0.00289089/step Wall: 1476.67, 0.00289089/step, 3.60478 hours remaining, 205.515625 MB of memory in use. ENERGY: 511000 773.2616 2044.2702 1943.2850 113.4521 -206988.0502 18247.1028 0.0000 0.0000 34227.5673 -149639.1112 298.9179 -183866.6785 -149547.9499 298.4508 102.5241 129.6185 556775.3536 4.6313 4.6139 PRESSURE: 511200 -250.282 53.6958 -125.489 53.6964 -127.407 112.065 -125.489 112.063 -51.6901 GPRESSURE: 511200 -185.503 -130.058 -83.8414 115.6 -115.272 54.1399 -126.162 80.7089 -26.3487 PRESSAVG: 511200 12.4289 2.13098 -61.0444 2.13089 30.9258 56.3615 -61.0443 56.3615 -25.1303 GPRESSAVG: 511200 14.3333 2.06127 -59.0122 0.127551 30.5482 55.4 -60.2261 56.2799 -27.0092 TIMING: 511200 CPU: 1477.24, 0.0028817/step Wall: 1477.24, 0.0028817/step, 3.59315 hours remaining, 205.515625 MB of memory in use. ENERGY: 511200 732.3946 2089.8882 1957.1348 108.0124 -206176.5008 17635.8371 0.0000 0.0000 34169.0168 -149484.2169 298.4065 -183653.2336 -149399.7496 298.2945 -143.1263 -109.0412 557581.7477 6.0748 5.9574 PRESSURE: 511400 65.9938 65.7538 -136.516 65.7542 83.2516 194.615 -136.515 194.615 -22.4375 GPRESSURE: 511400 90.5941 73.7962 -109.701 71.8287 82.2801 215.697 -141.116 213.194 38.5132 PRESSAVG: 511400 36.4742 30.2804 -15.8713 30.2804 4.50969 25.3487 -15.8713 25.3487 -70.4546 GPRESSAVG: 511400 35.8348 29.4653 -16.2159 31.4257 4.06352 27.5342 -15.2491 26.4261 -69.5505 TIMING: 511400 CPU: 1477.82, 0.00289385/step Wall: 1477.82, 0.00289385/step, 3.60815 hours remaining, 205.515625 MB of memory in use. ENERGY: 511400 747.6508 2084.2286 1960.7824 118.2027 -206617.9027 17949.4835 0.0000 0.0000 34014.5019 -149743.0530 297.0571 -183757.5549 -149649.5305 298.3176 42.2693 70.4625 556739.0387 -9.8236 -9.8841 PRESSURE: 511600 -214.601 147.506 -127.226 147.506 -121.681 42.0402 -127.225 42.0399 68.7598 GPRESSURE: 511600 -167.051 228.044 -146.476 57.3494 -113.095 62.1423 -142.608 -21.5106 111.921 PRESSAVG: 511600 -56.4204 77.0382 -2.89034 77.0381 9.49302 -8.44586 -2.89044 -8.4458 49.2028 GPRESSAVG: 511600 -57.2437 79.0014 -4.60705 75.0535 9.72802 -9.35032 -2.62504 -8.6589 49.2844 TIMING: 511600 CPU: 1478.4, 0.00289316/step Wall: 1478.4, 0.00289316/step, 3.60712 hours remaining, 205.515625 MB of memory in use. ENERGY: 511600 756.7999 2140.7031 1942.1758 115.0855 -206343.9835 17631.7346 0.0000 0.0000 34095.5709 -149661.9137 297.7651 -183757.4846 -149559.9059 297.8065 -89.1739 -56.0751 558216.9286 0.7585 0.5896 PRESSURE: 511800 -58.4901 87.1372 93.4107 87.1376 -29.5686 44.3625 93.4118 44.3622 269.843 GPRESSURE: 511800 27.9401 62.1747 167.753 43.4757 -26.8594 -17.1718 -32.9572 74.8439 272.254 PRESSAVG: 511800 -39.7187 54.4198 41.98 54.4198 -8.82772 -8.73694 41.98 -8.73697 23.5823 GPRESSAVG: 511800 -39.6145 54.5795 44.2056 55.1761 -8.37295 -6.2477 40.5054 -8.47714 23.0528 TIMING: 511800 CPU: 1478.98, 0.00287682/step Wall: 1478.98, 0.00287682/step, 3.58659 hours remaining, 205.515625 MB of memory in use. ENERGY: 511800 805.5756 2081.9539 1961.5798 112.7459 -206368.5557 17825.8212 0.0000 0.0000 34027.5947 -149553.2846 297.1714 -183580.8793 -149459.2099 297.5852 60.5947 91.1116 556777.7288 -8.3214 -8.3115 PRESSURE: 512000 -172.234 33.6152 116.073 33.6157 -30.0169 12.0001 116.073 12.0011 -92.1352 GPRESSURE: 512000 -190.952 21.2481 175.157 40.7817 73.5163 -20.6703 110.415 106.503 -76.0717 PRESSAVG: 512000 -10.0288 12.3015 21.7434 12.3014 -15.2587 5.95484 21.7434 5.95484 25.7445 GPRESSAVG: 512000 -8.98855 13.5611 20.2537 11.0896 -16.4963 1.86452 24.783 5.89878 25.7573 TIMING: 512000 CPU: 1479.55, 0.00288762/step Wall: 1479.55, 0.00288762/step, 3.59989 hours remaining, 205.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 512000 767.6977 2082.9622 1970.0484 108.2462 -206479.7711 17874.8856 0.0000 0.0000 33879.3612 -149796.5697 295.8769 -183675.9309 -149702.4201 297.6818 -98.1286 -64.5023 556805.2118 0.1523 0.0908 PRESSURE: 512200 -144.461 126.504 -54.9918 126.505 -193.084 60.931 -54.9919 60.9313 32.288 GPRESSURE: 512200 -124.258 76.8669 45.6006 188.318 -150.77 110.292 -161.066 112.03 58.7759 PRESSAVG: 512200 -72.9358 41.4966 37.3781 41.4966 17.1737 36.4642 37.3782 36.4643 37.5842 GPRESSAVG: 512200 -74.26 37.2727 39.7747 41.8302 18.5907 36.8975 33.8484 35.5166 37.5513 TIMING: 512200 CPU: 1480.13, 0.00288806/step Wall: 1480.13, 0.00288806/step, 3.60029 hours remaining, 205.515625 MB of memory in use. ENERGY: 512200 740.0934 2078.1942 1933.0196 108.3009 -206365.3537 17651.7969 0.0000 0.0000 34190.9930 -149662.9557 298.5984 -183853.9487 -149567.3972 298.0258 -101.7523 -72.0841 556779.8575 -6.0593 -6.0393 LDB: ============= START OF LOAD BALANCING ============== 1483.52 LDB: ============== END OF LOAD BALANCING =============== 1483.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1483.52 LDB: ============= START OF LOAD BALANCING ============== 1483.81 LDB: Largest compute 4820 load 0.029365 is 24.9% of average load 0.117990 LDB: Average compute 0.001719 is 1.5% of average load 0.117990 LDB: TIME 1483.81 LOAD: AVG 0.11799 MAX 0.18319 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.285 MB LDB: TIME 1483.81 LOAD: AVG 0.11799 MAX 0.18319 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.285 MB LDB: TIME 1483.81 LOAD: AVG 0.11799 MAX 0.18319 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.285 MB LDB: ============== END OF LOAD BALANCING =============== 1483.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1483.82 PRESSURE: 512400 -97.4142 10.3045 18.6435 10.3047 -340.196 -137.604 18.6437 -137.605 -106.843 GPRESSURE: 512400 -111.347 33.3479 -4.07179 41.628 -275.416 -134.513 50.0619 -59.2281 -62.1298 PRESSAVG: 512400 -8.04255 -33.9762 13.7301 -33.9763 12.8907 -0.666782 13.7301 -0.666628 3.11701 GPRESSAVG: 512400 -7.73433 -31.0867 14.4208 -33.008 14.8178 0.504098 13.7914 -0.837108 1.55634 TIMING: 512400 CPU: 1480.72, 0.00296574/step Wall: 1480.72, 0.00296574/step, 3.69696 hours remaining, 205.734375 MB of memory in use. ENERGY: 512400 752.8099 2071.2848 1942.6452 104.7281 -206255.5789 17541.7796 0.0000 0.0000 34125.7350 -149716.5961 298.0285 -183842.3312 -149622.9236 297.6421 -181.4843 -149.6311 556757.3820 2.6550 2.8799 PRESSURE: 512600 -18.3095 -110.884 92.2793 -110.884 68.6168 -120.035 92.2791 -120.036 218.276 GPRESSURE: 512600 -4.6882 -78.4404 78.9386 -49.6989 85.3237 -125.235 100.746 -157.489 276.988 PRESSAVG: 512600 -5.2231 35.1214 72.5565 35.1215 41.8187 -18.8958 72.5565 -18.8958 -15.3368 GPRESSAVG: 512600 -4.33559 35.2171 73.2079 34.5901 39.993 -18.6612 73.7139 -19.0557 -14.4611 TIMING: 512600 CPU: 1481.3, 0.00287465/step Wall: 1481.3, 0.00287465/step, 3.58326 hours remaining, 205.734375 MB of memory in use. ENERGY: 512600 756.7099 2050.8528 1931.4382 123.3217 -206504.8627 17887.7446 0.0000 0.0000 34154.8073 -149599.9883 298.2824 -183754.7956 -149494.8318 297.9828 89.5277 119.2080 555719.7882 7.0863 7.0654 PRESSURE: 512800 -30.2391 36.616 160.86 36.6151 -166.815 -112.675 160.86 -112.674 114.957 GPRESSURE: 512800 -44.7239 -88.9145 27.1954 116.275 -141.677 -150.92 130.045 -107.887 201.093 PRESSAVG: 512800 -41.0695 8.69015 78.5164 8.69008 -8.9304 -12.8358 78.5164 -12.8359 43.2712 GPRESSAVG: 512800 -42.7237 9.48276 74.6834 8.78247 -7.53917 -10.0906 77.8139 -14.2039 43.1688 TIMING: 512800 CPU: 1481.87, 0.00287666/step Wall: 1481.87, 0.00287666/step, 3.5856 hours remaining, 205.734375 MB of memory in use. ENERGY: 512800 784.7863 2054.8532 1927.0777 119.2127 -206491.8941 17936.0203 0.0000 0.0000 34250.7958 -149419.1479 299.1207 -183669.9437 -149326.6282 298.8387 -27.3655 4.8974 556401.1721 -2.2429 -2.3647 PRESSURE: 513000 -36.0917 -98.4178 71.1424 -98.4183 -92.5874 148.802 71.1419 148.802 -121.763 GPRESSURE: 513000 27.1871 -99.6123 158.604 -41.0692 -89.0765 157.553 96.436 147.975 -98.2199 PRESSAVG: 513000 -10.8861 -2.47884 44.0339 -2.4789 -80.2862 65.2951 44.0339 65.295 40.4707 GPRESSAVG: 513000 -11.1945 -4.68674 46.7821 -0.0954393 -81.408 62.0106 46.4255 66.9482 42.0931 TIMING: 513000 CPU: 1482.45, 0.00287956/step Wall: 1482.45, 0.00287956/step, 3.58905 hours remaining, 205.734375 MB of memory in use. ENERGY: 513000 745.9274 2061.8973 1951.1497 114.1851 -206122.2887 17867.8772 0.0000 0.0000 34118.7970 -149262.4550 297.9679 -183381.2520 -149173.4057 298.6921 -83.4808 -53.3698 558457.8809 -16.9005 -16.8365 PRESSURE: 513200 -391.5 -121.412 98.2704 -121.412 113.912 -106.958 98.2707 -106.959 -151.773 GPRESSURE: 513200 -314.453 -205.689 43.986 -70.8918 120.813 -104.403 93.8441 -144.841 -132.8 PRESSAVG: 513200 95.6961 -23.4979 34.6528 -23.498 -63.1943 2.84414 34.6527 2.84398 -34.9571 GPRESSAVG: 513200 96.5597 -23.0823 33.7667 -24.9349 -62.9866 3.24351 33.1772 4.88797 -36.7448 TIMING: 513200 CPU: 1483.03, 0.00287553/step Wall: 1483.03, 0.00287553/step, 3.58387 hours remaining, 205.734375 MB of memory in use. ENERGY: 513200 750.8302 2156.3642 1944.3077 126.1865 -206079.2427 17614.3868 0.0000 0.0000 34179.6459 -149307.5213 298.4993 -183487.1672 -149212.2094 298.9964 -143.1202 -108.8130 557016.4987 -0.8184 -1.0573 PRESSURE: 513400 -158.114 -136.438 -62.0035 -136.439 -179.934 8.0544 -62.0049 8.05348 -315.753 GPRESSURE: 513400 -136.351 -123.086 -105.294 -92.9616 -158.223 33.4865 32.4026 4.87072 -256.287 PRESSAVG: 513400 -12.467 -33.4786 27.9504 -33.4786 11.8267 -17.2629 27.9505 -17.2628 38.9467 GPRESSAVG: 513400 -12.5267 -33.7132 27.4513 -33.9542 11.5552 -16.5006 28.4246 -18.6456 38.4371 TIMING: 513400 CPU: 1483.6, 0.00289526/step Wall: 1483.6, 0.00289526/step, 3.6083 hours remaining, 205.734375 MB of memory in use. ENERGY: 513400 765.1596 2099.3438 1943.9088 104.8744 -206153.7699 17493.2734 0.0000 0.0000 34555.9110 -149191.2989 301.7854 -183747.2099 -149095.3471 299.5620 -217.9338 -183.6204 556539.0717 12.7688 12.4885 PRESSURE: 513600 -90.6102 -64.6642 -84.109 -64.6639 46.3752 -71.793 -84.1086 -71.7933 -269.406 GPRESSURE: 513600 -89.1459 20.1674 -14.6609 -100.823 52.9438 -85.3389 -66.1945 -72.3549 -190.78 PRESSAVG: 513600 -44.3438 -4.86871 30.7357 -4.86871 36.3449 0.675784 30.7357 0.675904 7.5592 GPRESSAVG: 513600 -43.9298 -2.7962 32.8297 -5.68438 34.5728 2.02583 29.842 -0.932048 8.54363 TIMING: 513600 CPU: 1484.18, 0.00289359/step Wall: 1484.18, 0.00289359/step, 3.60605 hours remaining, 205.734375 MB of memory in use. ENERGY: 513600 709.8460 2083.6951 1927.8456 99.2821 -205884.5349 17515.9778 0.0000 0.0000 34346.7770 -149201.1112 299.9589 -183547.8882 -149103.9199 299.5579 -104.5471 -75.6607 557254.9164 -0.1466 -0.2711 PRESSURE: 513800 -182.431 24.1904 136.525 24.1917 -126.148 -225.241 136.524 -225.24 191.412 GPRESSURE: 513800 -196.53 5.78184 91.2015 76.4897 -38.6785 -182.11 99.6107 -220.452 220.673 PRESSAVG: 513800 -32.8362 -8.95654 -26.9195 -8.95656 44.7385 -10.607 -26.9195 -10.6069 40.8856 GPRESSAVG: 513800 -33.4382 -9.85353 -27.8111 -7.50039 46.9182 -11.3577 -27.3313 -8.30229 39.9203 TIMING: 513800 CPU: 1484.76, 0.00289597/step Wall: 1484.76, 0.00289597/step, 3.60886 hours remaining, 205.734375 MB of memory in use. ENERGY: 513800 742.0559 2066.1615 1940.3220 106.9091 -205883.8220 17499.9635 0.0000 0.0000 34513.1095 -149015.3005 301.4116 -183528.4100 -148917.4781 299.7962 -39.0556 -4.8453 556660.9186 17.5960 17.8001 PRESSURE: 514000 61.2343 129.736 -62.4515 129.735 -101.055 79.3217 -62.4514 79.3228 -157.623 GPRESSURE: 514000 94.3234 138.006 -59.7808 124.794 -71.3785 114.457 6.42494 92.2969 -126.044 PRESSAVG: 514000 33.3668 2.75444 33.4531 2.75443 17.2753 -40.2554 33.4532 -40.2554 -58.6795 GPRESSAVG: 514000 32.8556 2.64598 33.3144 2.95522 16.8783 -41.0818 35.488 -41.1212 -57.3929 TIMING: 514000 CPU: 1485.34, 0.00288003/step Wall: 1485.34, 0.00288003/step, 3.58884 hours remaining, 205.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 514000 749.9744 2079.9849 1913.9444 125.6102 -205876.8971 17732.8869 0.0000 0.0000 34489.2460 -148785.2503 301.2032 -183274.4963 -148678.7645 300.6405 -65.8144 -34.3664 557482.9480 -2.6792 -2.5530 PRESSURE: 514200 0.411055 78.7117 -100.058 78.7124 -55.544 -70.2267 -100.058 -70.2279 284.168 GPRESSURE: 514200 113.624 99.9816 -138.632 84.3222 23.367 -46.9465 -69.0947 -15.4151 198.97 PRESSAVG: 514200 -27.2298 14.3669 35.2911 14.3668 24.953 -28.3916 35.291 -28.3917 -2.27535 GPRESSAVG: 514200 -27.7107 14.4318 36.875 14.1844 25.2269 -30.1795 32.7668 -29.0069 -2.00388 TIMING: 514200 CPU: 1485.92, 0.002888/step Wall: 1485.92, 0.002888/step, 3.59861 hours remaining, 205.734375 MB of memory in use. ENERGY: 514200 761.3125 2053.4118 1928.8361 119.7218 -205907.0298 17888.3472 0.0000 0.0000 34225.6776 -148929.7229 298.9014 -183155.4005 -148835.6883 300.2797 76.3449 111.9870 557839.6956 -1.5174 -1.4959 PRESSURE: 514400 188.845 -127.196 14.1965 -127.196 150.797 182.892 14.1958 182.891 -77.7201 GPRESSURE: 514400 263.798 -135.978 33.7668 -135.234 145.865 83.7667 72.9641 135.246 -45.9404 PRESSAVG: 514400 48.695 24.8221 23.0819 24.8221 -10.2611 -6.60348 23.0819 -6.60339 -70.5821 GPRESSAVG: 514400 49.3311 23.7374 22.0936 24.8584 -11.2905 -6.44289 23.8358 -4.13186 -70.4965 TIMING: 514400 CPU: 1486.5, 0.00290634/step Wall: 1486.5, 0.00290634/step, 3.62129 hours remaining, 205.734375 MB of memory in use. ENERGY: 514400 798.3077 2105.2316 1930.6444 118.4560 -206212.2230 17986.4013 0.0000 0.0000 34428.5201 -148844.6620 300.6728 -183273.1821 -148745.9261 300.1503 87.3075 121.2411 558156.6502 -10.7161 -10.8186 PRESSURE: 514600 -22.4195 65.0772 55.7824 65.0779 -208.691 -140.122 55.7837 -140.122 83.8059 GPRESSURE: 514600 -21.0369 120.503 -20.8564 10.3746 -141.749 -160.925 80.3877 -95.2371 123.994 PRESSAVG: 514600 29.8564 44.0917 1.69937 44.0917 -14.5136 -35.6888 1.6994 -35.6887 -47.3501 GPRESSAVG: 514600 29.9374 43.8775 0.737829 43.7566 -14.0542 -35.4708 2.82251 -37.65 -48.3066 TIMING: 514600 CPU: 1487.08, 0.00289859/step Wall: 1487.08, 0.00289859/step, 3.61148 hours remaining, 205.734375 MB of memory in use. ENERGY: 514600 752.5649 2033.6892 1928.3720 118.6938 -206027.5871 17770.5963 0.0000 0.0000 34341.1708 -149082.5000 299.9100 -183423.6709 -148986.6042 299.2708 -49.1016 -12.9304 557446.5155 -10.6691 -10.8078 PRESSURE: 514800 135.487 160.114 -2.85399 160.114 -107.265 -100.8 -2.85346 -100.8 -70.8844 GPRESSURE: 514800 203.376 167.054 28.149 172.75 -86.5763 -131.4 -24.3923 -94.6378 -47.5064 PRESSAVG: 514800 17.5083 30.0642 -2.77077 30.0643 19.1684 -23.6838 -2.77083 -23.6837 -12.0813 GPRESSAVG: 514800 17.8644 29.6767 -2.36179 30.7669 18.8449 -21.4234 -3.09432 -24.8387 -12.5688 TIMING: 514800 CPU: 1487.65, 0.00288507/step Wall: 1487.65, 0.00288507/step, 3.59447 hours remaining, 205.734375 MB of memory in use. ENERGY: 514800 776.6286 2043.9481 1939.9479 111.0498 -205906.9161 17823.0831 0.0000 0.0000 34180.8363 -149031.4223 298.5097 -183212.2586 -148939.3519 300.1031 -14.2206 23.0976 558721.1041 8.1985 8.0468 PRESSURE: 515000 -53.9221 -48.3471 117.647 -48.3486 -195.81 63.7346 117.648 63.7349 33.2437 GPRESSURE: 515000 -22.8896 -46.4355 174.333 -70.7835 -138.588 110.7 79.5839 -15.6102 34.8883 PRESSAVG: 515000 43.8065 1.68142 53.4852 1.68138 2.2374 -7.47303 53.4851 -7.47301 -18.4197 GPRESSAVG: 515000 44.1409 2.65026 53.5612 1.61715 1.61315 -9.13289 53.9499 -5.4203 -17.7808 TIMING: 515000 CPU: 1488.23, 0.00287491/step Wall: 1488.23, 0.00287491/step, 3.58166 hours remaining, 205.742188 MB of memory in use. ENERGY: 515000 720.7480 2025.1541 1935.0543 119.4910 -205526.6305 17512.1886 0.0000 0.0000 34199.6781 -149014.3164 298.6743 -183213.9945 -148915.4733 299.7301 -72.1628 -42.1965 558109.3984 9.2081 9.3244 PRESSURE: 515200 -128.399 -5.30253 -139.646 -5.30276 -109.925 -17.5658 -139.648 -17.5656 108.616 GPRESSURE: 515200 -63.9887 25.5406 -150.564 42.2179 -100.348 4.29265 -67.3462 -118.857 125.361 PRESSAVG: 515200 37.4864 -6.59382 4.91912 -6.59387 -50.3357 -65.1718 4.91904 -65.1717 13.2784 GPRESSAVG: 515200 37.0427 -7.11631 5.63918 -6.50147 -49.2663 -63.9011 3.05196 -66.5571 12.8226 TIMING: 515200 CPU: 1488.81, 0.00288264/step Wall: 1488.81, 0.00288264/step, 3.59113 hours remaining, 205.742188 MB of memory in use. ENERGY: 515200 721.7257 2130.3064 1972.9977 117.5523 -206012.7175 17657.6245 0.0000 0.0000 34302.5850 -149109.9259 299.5730 -183412.5110 -149012.0342 299.8496 -43.2357 -12.9918 558517.6698 0.1430 0.1997 PRESSURE: 515400 67.5442 -17.6009 -189.552 -17.6017 -43.3747 -80.9071 -189.552 -80.9057 15.166 GPRESSURE: 515400 136.189 -21.3478 -166.31 40.4679 5.99254 -60.7234 -209.943 -58.3993 -18.6225 PRESSAVG: 515400 -22.9128 -16.0399 -17.7953 -16.04 48.8003 10.966 -17.7953 10.9659 -33.2595 GPRESSAVG: 515400 -22.7354 -15.0807 -17.2705 -15.2026 48.6364 11.8671 -16.0785 10.8144 -32.8544 TIMING: 515400 CPU: 1489.38, 0.00289247/step Wall: 1489.38, 0.00289247/step, 3.60321 hours remaining, 205.742188 MB of memory in use. ENERGY: 515400 752.0685 2081.9951 1950.7018 112.0327 -206250.7831 17883.0069 0.0000 0.0000 34200.8169 -149270.1612 298.6842 -183470.9780 -149171.0020 299.4025 13.1118 41.1863 558490.2973 -2.4573 -2.3178 PRESSURE: 515600 -93.4247 204.306 118.365 204.305 396.29 144.358 118.364 144.357 -197.713 GPRESSURE: 515600 -22.9466 200.584 86.8891 165.873 352.201 144.309 123.316 169.458 -124.783 PRESSAVG: 515600 16.2658 39.1463 -1.97287 39.1463 78.1867 105.337 -1.97286 105.337 -62.2372 GPRESSAVG: 515600 17.0373 38.4749 -2.47966 36.991 78.5849 103.275 -3.35462 107.487 -63.3017 TIMING: 515600 CPU: 1489.96, 0.00287277/step Wall: 1489.96, 0.00287277/step, 3.57851 hours remaining, 205.742188 MB of memory in use. ENERGY: 515600 728.5515 2074.5101 1934.6345 117.6668 -206126.1697 17771.5437 0.0000 0.0000 34218.4915 -149280.7716 298.8386 -183499.2631 -149189.9664 298.5126 35.0506 68.1571 557497.6827 10.7385 10.7735 PRESSURE: 515800 -99.87 -140.355 -40.4036 -140.355 -136.892 92.2472 -40.4039 92.2485 -157.737 GPRESSURE: 515800 -127.575 -156.71 -20.5559 -124.831 -122.433 129.905 -57.5065 86.0396 -36.7519 PRESSAVG: 515800 -23.9441 25.7205 -10.6357 25.7205 30.659 45.7095 -10.6356 45.7096 -51.2817 GPRESSAVG: 515800 -24.5007 25.775 -9.78596 28.1411 29.7883 48.4385 -10.1733 42.6263 -49.0949 TIMING: 515800 CPU: 1490.54, 0.00288749/step Wall: 1490.54, 0.00288749/step, 3.59669 hours remaining, 205.742188 MB of memory in use. ENERGY: 515800 768.8971 2057.8008 1970.5187 97.6676 -206056.4001 17792.2410 0.0000 0.0000 34296.7588 -149072.5160 299.5221 -183369.2749 -148969.5375 299.3835 -131.4997 -95.5865 558206.0567 -14.8556 -14.6024 PRESSURE: 516000 166.074 285.498 -17.1059 285.498 -125.234 205.218 -17.1056 205.218 33.4853 GPRESSURE: 516000 198.155 206.479 -92.9803 297.754 -55.5793 193.84 -12.0499 143.291 27.6915 PRESSAVG: 516000 24.4534 4.10478 -37.0065 4.10465 3.07519 -39.0767 -37.0063 -39.0768 -19.7326 GPRESSAVG: 516000 24.4533 3.58455 -41.5253 1.49187 3.58669 -42.3105 -35.2859 -37.3603 -19.9774 TIMING: 516000 CPU: 1491.11, 0.00289392/step Wall: 1491.11, 0.00289392/step, 3.60454 hours remaining, 205.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 516000 753.0049 2062.4564 1959.2272 108.5054 -206025.8707 17828.6334 0.0000 0.0000 34238.8838 -149075.1596 299.0167 -183314.0434 -148979.2771 299.5847 24.7751 56.7557 557302.3766 2.5986 2.6875 PRESSURE: 516200 360.148 -74.0863 -40.3412 -74.0867 212.722 -74.3265 -40.3408 -74.3275 79.7258 GPRESSURE: 516200 413.539 -90.9321 10.6687 17.4516 205.034 -86.9129 -79.545 -17.4707 131.931 PRESSAVG: 516200 103.688 43.5781 -38.9156 43.5781 -9.86916 40.9878 -38.9155 40.9879 -29.8284 GPRESSAVG: 516200 104.082 44.371 -36.5357 43.6931 -10.9179 41.7338 -41.0146 41.7505 -29.3917 TIMING: 516200 CPU: 1491.69, 0.00289918/step Wall: 1491.69, 0.00289918/step, 3.61093 hours remaining, 205.742188 MB of memory in use. ENERGY: 516200 718.2183 2064.6580 1971.3257 120.3497 -206220.8461 18053.6706 0.0000 0.0000 34276.6888 -149015.9350 299.3468 -183292.6238 -148922.4818 299.9894 217.5318 250.1679 555968.5200 21.3302 21.2574 LDB: ============= START OF LOAD BALANCING ============== 1495.08 LDB: ============== END OF LOAD BALANCING =============== 1495.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1495.08 LDB: ============= START OF LOAD BALANCING ============== 1495.37 LDB: Largest compute 4822 load 0.028280 is 24.0% of average load 0.117892 LDB: Average compute 0.001714 is 1.5% of average load 0.117892 LDB: TIME 1495.37 LOAD: AVG 0.117892 MAX 0.184434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 1495.37 LOAD: AVG 0.117892 MAX 0.184434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: TIME 1495.37 LOAD: AVG 0.117892 MAX 0.184434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1495.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1495.38 PRESSURE: 516400 -66.6327 -47.3394 85.9028 -47.3401 -310.026 -110.547 85.9025 -110.545 -15.2533 GPRESSURE: 516400 -30.4449 -39.1189 114.389 -5.71167 -296.517 -136.308 84.3842 -88.1233 20.1535 PRESSAVG: 516400 -0.774586 -24.0424 -27.2183 -24.0425 -25.4753 24.2709 -27.2183 24.2709 -1.98844 GPRESSAVG: 516400 -0.351478 -23.7464 -27.7329 -23.557 -24.8153 24.8664 -26.8506 25.1555 -3.41956 TIMING: 516400 CPU: 1492.28, 0.0029407/step Wall: 1492.28, 0.0029407/step, 3.66248 hours remaining, 207.089844 MB of memory in use. ENERGY: 516400 761.3177 2100.1997 1967.3757 115.5197 -205890.9088 17514.9948 0.0000 0.0000 34359.5584 -149071.9428 300.0706 -183431.5012 -148982.0016 299.3911 -130.6372 -102.2695 557351.4581 -9.4128 -9.5288 PRESSURE: 516600 125.335 23.4394 -149.091 23.4392 -58.1921 13.4446 -149.091 13.4457 165.12 GPRESSURE: 516600 227.779 103.722 -217.971 42.1168 -57.6652 -30.1944 -120.187 46.044 164.016 PRESSAVG: 516600 31.8754 51.7468 -39.2957 51.7469 -30.0461 -9.81607 -39.2956 -9.81609 31.7803 GPRESSAVG: 516600 32.682 49.6004 -38.4006 53.9358 -30.2042 -9.3674 -39.7421 -11.204 30.9602 TIMING: 516600 CPU: 1492.86, 0.00289605/step Wall: 1492.86, 0.00289605/step, 3.60671 hours remaining, 207.492188 MB of memory in use. ENERGY: 516600 766.2166 2118.6428 1987.8120 130.7901 -206184.3301 17985.4326 0.0000 0.0000 34144.3263 -149051.1097 298.1909 -183195.4360 -148958.6347 299.7161 77.4210 111.3765 558261.2479 11.2032 11.1460 PRESSURE: 516800 126.708 -5.46533 48.91 -5.46613 41.7799 -3.3821 48.9105 -3.38387 40.7508 GPRESSURE: 516800 186.209 71.8561 11.5669 -43.6352 105.546 77.7044 37.4845 33.4155 21.5193 PRESSAVG: 516800 19.5193 52.8935 -2.16582 52.8935 -75.0787 38.0121 -2.16593 38.0121 12.1832 GPRESSAVG: 516800 18.9004 53.3829 -1.56238 52.1662 -75.7195 37.5913 -2.97344 38.7428 13.5979 TIMING: 516800 CPU: 1493.44, 0.00289037/step Wall: 1493.44, 0.00289036/step, 3.59947 hours remaining, 207.492188 MB of memory in use. ENERGY: 516800 733.1430 2108.3644 1951.4386 100.1139 -206324.4675 18008.2798 0.0000 0.0000 34180.2994 -149242.8283 298.5051 -183423.1277 -149148.9753 299.2517 69.7462 104.4249 557242.1320 -14.4587 -14.4071 PRESSURE: 517000 203.499 106.318 261.515 106.318 -57.3289 -128.423 261.514 -128.422 28.4796 GPRESSURE: 517000 179.622 74.699 180.427 122.447 30.7192 -173.079 245.197 -72.4104 60.95 PRESSAVG: 517000 -0.524941 4.153 -19.7515 4.15307 -24.5998 38.1262 -19.7515 38.1263 51.2462 GPRESSAVG: 517000 -0.854812 4.50175 -19.6683 4.58368 -24.0249 37.2975 -20.5485 38.1462 50.7046 TIMING: 517000 CPU: 1494.02, 0.00288361/step Wall: 1494.02, 0.00288361/step, 3.5909 hours remaining, 207.492188 MB of memory in use. ENERGY: 517000 716.1323 2100.7484 1931.8195 117.8377 -205913.8469 17807.5360 0.0000 0.0000 34207.0470 -149032.7260 298.7386 -183239.7730 -148940.8565 299.3236 58.2166 90.4303 558147.6916 8.7071 8.6083 PRESSURE: 517200 -159.778 -233.241 132.186 -233.241 -157.037 181.725 132.185 181.725 -187.86 GPRESSURE: 517200 -115.319 -200.222 120.213 -226.866 -179.802 120.683 97.8882 213.331 -117.356 PRESSAVG: 517200 -38.316 -17.2663 2.04543 -17.2663 -24.0105 23.8783 2.04552 23.8783 54.7807 GPRESSAVG: 517200 -37.8825 -17.3493 0.473468 -18.5469 -24.7822 24.7245 3.67417 22.4854 55.3146 TIMING: 517200 CPU: 1494.6, 0.00289891/step Wall: 1494.6, 0.00289891/step, 3.60979 hours remaining, 207.558594 MB of memory in use. ENERGY: 517200 705.2364 2112.0930 1946.4781 116.0860 -205881.2416 17565.5357 0.0000 0.0000 34319.5933 -149116.2191 299.7215 -183435.8123 -149022.2331 299.9593 -168.2251 -137.4924 558614.5360 -2.5153 -2.4501 PRESSURE: 517400 3.25498 -142.485 12.3566 -142.484 -51.6534 -137.203 12.3565 -137.204 43.302 GPRESSURE: 517400 -11.7388 -168.266 -3.18816 -95.4529 41.9938 -177.742 25.9985 -54.3805 48.8064 PRESSAVG: 517400 86.7394 -38.6485 -33.146 -38.6484 14.0358 -44.8202 -33.146 -44.8202 -94.3979 GPRESSAVG: 517400 86.2166 -38.1793 -33.4304 -38.208 14.6519 -42.9517 -32.8174 -42.7649 -94.6495 TIMING: 517400 CPU: 1495.17, 0.00289196/step Wall: 1495.17, 0.00289196/step, 3.60097 hours remaining, 207.558594 MB of memory in use. ENERGY: 517400 716.1616 2142.8616 1950.1166 110.7167 -206292.6546 17835.7996 0.0000 0.0000 34291.9375 -149245.0610 299.4800 -183536.9986 -149150.5894 298.9475 -1.6988 26.3538 558057.8348 2.1258 2.0730 PRESSURE: 517600 154.008 144.09 103.341 144.09 135.913 104.61 103.341 104.61 -18.6466 GPRESSURE: 517600 166.102 201.135 121.373 89.4728 164.911 63.911 53.6097 198.963 33.4547 PRESSAVG: 517600 18.7268 18.9229 15.0641 18.9229 30.9202 -10.8346 15.0641 -10.8346 -52.5428 GPRESSAVG: 517600 19.1497 18.5281 15.4465 18.3165 31.2564 -9.90289 15.8998 -11.238 -52.6298 TIMING: 517600 CPU: 1495.76, 0.00291042/step Wall: 1495.76, 0.00291042/step, 3.6238 hours remaining, 207.558594 MB of memory in use. ENERGY: 517600 720.1013 2091.8217 1950.0132 116.7599 -205992.9250 17826.1867 0.0000 0.0000 34032.2993 -149255.7428 297.2125 -183288.0421 -149156.1024 298.6178 90.4247 121.4893 557591.8943 -0.9652 -0.7412 PRESSURE: 517800 -125.378 -221.978 -184.001 -221.978 141.553 -58.7351 -184.001 -58.7346 -145.77 GPRESSURE: 517800 -47.3346 -219.896 -184.504 -148.004 166.942 2.94454 -133.024 -25.0073 -143.938 PRESSAVG: 517800 31.7215 -38.3061 -21.0308 -38.3061 40.003 -23.7521 -21.0309 -23.7521 -51.7857 GPRESSAVG: 517800 31.4239 -35.8434 -20.0208 -37.5883 39.844 -26.5252 -21.6355 -23.887 -52.2373 TIMING: 517800 CPU: 1496.33, 0.00288894/step Wall: 1496.33, 0.00288894/step, 3.5969 hours remaining, 207.558594 MB of memory in use. ENERGY: 517800 717.1986 2093.9975 1935.7034 115.2981 -206088.3481 17779.1491 0.0000 0.0000 34106.8762 -149340.1251 297.8638 -183447.0014 -149247.8214 298.9766 -43.1985 -8.1102 558079.8619 6.6463 6.3435 PRESSURE: 518000 402.208 -21.7155 60.995 -21.7163 92.3231 41.0729 60.996 41.0725 144.534 GPRESSURE: 518000 421.105 -72.3649 69.1996 23.6624 85.1714 43.2664 -67.5786 44.1344 228.366 PRESSAVG: 518000 26.6031 -0.0301077 23.7827 -0.0301183 18.2133 -2.80653 23.7826 -2.80656 -43.3175 GPRESSAVG: 518000 25.2157 -1.97925 23.8536 1.04393 18.7652 -1.34292 22.4684 -3.49045 -42.6447 TIMING: 518000 CPU: 1496.91, 0.0028681/step Wall: 1496.91, 0.0028681/step, 3.57078 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 518000 754.5146 2132.1016 1950.5213 112.2279 -206890.4794 18348.1951 0.0000 0.0000 34317.9610 -149274.9580 299.7073 -183592.9190 -149179.3175 299.3651 213.0219 244.8809 556129.3338 0.4997 0.4454 PRESSURE: 518200 -221.173 45.6105 63.8685 45.6113 -144.394 167.033 63.8691 167.033 -25.0325 GPRESSURE: 518200 -217.016 129.889 128.511 -2.03992 -93.2372 189.291 61.4168 246.092 12.9997 PRESSAVG: 518200 23.5187 -50.6391 38.5224 -50.6391 7.74286 36.1246 38.5223 36.1247 -24.6137 GPRESSAVG: 518200 23.4817 -50.2107 37.5813 -50.839 6.713 37.9104 39.9243 33.4204 -23.3474 TIMING: 518200 CPU: 1497.48, 0.00288373/step Wall: 1497.48, 0.00288373/step, 3.59008 hours remaining, 207.558594 MB of memory in use. ENERGY: 518200 755.0169 2128.1013 1943.1507 111.4830 -206080.3871 17636.1855 0.0000 0.0000 34362.9012 -149143.5486 300.0998 -183506.4498 -149049.3370 299.8061 -130.2000 -99.0843 557058.8381 2.2160 2.2825 PRESSURE: 518400 174.607 114.531 -84.9435 114.531 107.257 -68.2061 -84.9415 -68.2043 44.9366 GPRESSURE: 518400 257.96 -5.53409 -101.155 81.3979 138.799 49.7046 -68.1198 -103.334 25.547 PRESSAVG: 518400 -16.3857 -3.16356 18.4947 -3.16359 -7.048 -11.988 18.4946 -11.988 12.5682 GPRESSAVG: 518400 -14.8932 -3.68636 18.1905 -5.03073 -5.98986 -15.0008 18.8214 -11.3393 10.637 TIMING: 518400 CPU: 1498.07, 0.0029146/step Wall: 1498.07, 0.0029146/step, 3.62835 hours remaining, 207.558594 MB of memory in use. ENERGY: 518400 764.4332 2144.2060 1936.7538 116.7319 -206285.8744 18045.9144 0.0000 0.0000 34215.2236 -149062.6115 298.8101 -183277.8351 -148965.4928 300.2589 108.9335 140.7689 558702.2264 -3.6218 -3.4154 PRESSURE: 518600 -113.232 12.7832 -10.8435 12.7836 288.963 3.03336 -10.8427 3.0324 88.5393 GPRESSURE: 518600 -60.068 94.7614 -31.0055 -1.20389 308.341 17.7926 43.6891 -84.8484 130.752 PRESSAVG: 518600 22.3922 -25.8787 -3.37944 -25.8787 31.4399 12.542 -3.37945 12.542 -52.6669 GPRESSAVG: 518600 22.2984 -25.5858 -3.58723 -24.5259 31.2326 12.3337 -3.52173 15.3548 -51.9048 TIMING: 518600 CPU: 1498.65, 0.00289659/step Wall: 1498.65, 0.00289659/step, 3.60577 hours remaining, 207.558594 MB of memory in use. ENERGY: 518600 704.9869 2086.8585 1960.2020 110.8422 -206119.1220 17820.0122 0.0000 0.0000 34446.7931 -148989.4271 300.8324 -183436.2202 -148888.6017 300.2832 88.0903 126.3415 556598.3278 0.3884 0.5421 PRESSURE: 518800 -256.108 -144.855 -17.5147 -144.856 -129.002 -128.57 -17.5154 -128.57 168.815 GPRESSURE: 518800 -192.951 -105.447 -49.1291 -223.462 -89.7125 -132.472 -46.6047 -124.509 161.254 PRESSAVG: 518800 -16.5801 -4.19162 -27.5357 -4.1917 -38.698 13.2152 -27.5357 13.2153 28.3189 GPRESSAVG: 518800 -17.3663 -2.70355 -25.8154 -5.90695 -37.1635 12.9122 -28.1292 12.8621 27.8619 TIMING: 518800 CPU: 1499.23, 0.00290885/step Wall: 1499.23, 0.00290885/step, 3.62087 hours remaining, 207.558594 MB of memory in use. ENERGY: 518800 746.9667 2088.4532 1955.8575 121.4203 -205968.9892 17586.8804 0.0000 0.0000 34545.1961 -148924.2151 301.6918 -183469.4112 -148820.5662 300.3821 -72.0984 -40.4697 556712.3130 -8.9864 -8.8893 PRESSURE: 519000 -48.6039 116.621 114.936 116.62 -213.392 -127.196 114.935 -127.196 174.747 GPRESSURE: 519000 33.0094 109.935 86.7278 115.456 -156.956 -61.858 113.684 -100.911 128.483 PRESSAVG: 519000 9.09287 -14.9735 40.337 -14.9735 -29.9001 -21.5893 40.337 -21.5893 0.742688 GPRESSAVG: 519000 9.75652 -13.1917 40.5585 -13.76 -30.2612 -19.8049 40.5341 -21.916 0.429229 TIMING: 519000 CPU: 1499.81, 0.00288536/step Wall: 1499.81, 0.00288536/step, 3.59147 hours remaining, 207.558594 MB of memory in use. ENERGY: 519000 713.2708 2112.7054 1941.8928 121.9594 -205789.8295 17626.1776 0.0000 0.0000 34399.4572 -148874.3663 300.4190 -183273.8235 -148776.0560 300.7254 -29.0829 1.5122 557654.9504 -6.6882 -6.6918 PRESSURE: 519200 -88.8917 221.136 -97.9137 221.137 -7.47831 22.6368 -97.9164 22.6369 -157.23 GPRESSURE: 519200 -66.6306 153.464 -78.3267 180.795 44.834 -6.86176 -42.8675 -49.5211 -140.223 PRESSAVG: 519200 39.0655 -33.5733 31.7071 -33.5733 -15.3571 12.6974 31.707 12.6974 -38.0297 GPRESSAVG: 519200 39.2185 -36.5443 31.2664 -32.1336 -15.7887 10.3565 32.0772 13.6742 -37.4389 TIMING: 519200 CPU: 1500.38, 0.00287081/step Wall: 1500.38, 0.00287081/step, 3.5732 hours remaining, 207.558594 MB of memory in use. ENERGY: 519200 713.2148 2110.2156 1953.7561 113.1700 -205643.4363 17632.6379 0.0000 0.0000 34292.4538 -148827.9881 299.4845 -183120.4419 -148728.4793 300.0282 -84.5332 -54.0066 558263.0217 -4.7738 -4.6697 PRESSURE: 519400 -140.979 -100.917 179.559 -100.916 79.4721 -77.1647 179.56 -77.1648 228.828 GPRESSURE: 519400 -69.6874 -67.2479 74.932 -48.5889 114.695 -116.039 211.622 -79.419 213.385 PRESSAVG: 519400 -65.4949 -47.7143 4.91568 -47.7143 113.483 -0.156139 4.91562 -0.15609 -37.5853 GPRESSAVG: 519400 -66.0248 -45.7165 4.06098 -49.4038 113.375 3.27943 4.22128 0.144822 -36.5212 TIMING: 519400 CPU: 1500.96, 0.00289248/step Wall: 1500.96, 0.00289248/step, 3.60001 hours remaining, 207.558594 MB of memory in use. ENERGY: 519400 771.1270 2154.5614 1956.2270 124.5658 -206071.4339 17867.1745 0.0000 0.0000 34535.2262 -148662.5521 301.6047 -183197.7783 -148567.5478 300.4669 55.7736 86.1312 557176.9188 3.4677 3.6098 PRESSURE: 519600 -90.7464 44.3027 81.7034 44.3029 37.679 -104.85 81.7031 -104.85 74.5118 GPRESSURE: 519600 -94.2117 60.0516 112.603 3.73463 66.6095 -134.457 69.0886 -138.095 142.361 PRESSAVG: 519600 -13.1403 -29.9229 -23.8403 -29.9228 64.0935 -4.01748 -23.8403 -4.01758 -39.069 GPRESSAVG: 519600 -11.5945 -30.341 -21.8758 -31.6941 63.988 -4.99565 -23.4112 -5.87571 -40.2683 TIMING: 519600 CPU: 1501.54, 0.0029048/step Wall: 1501.54, 0.0029048/step, 3.61518 hours remaining, 207.558594 MB of memory in use. ENERGY: 519600 730.4255 2104.7360 1961.0412 114.4715 -205808.1214 17819.4585 0.0000 0.0000 34321.6941 -148756.2946 299.7399 -183077.9886 -148651.6552 301.0994 7.1481 38.2528 558600.2876 3.9614 4.0417 PRESSURE: 519800 55.4127 -92.1598 -111.432 -92.1587 -53.9901 94.2934 -111.432 94.2934 7.96371 GPRESSURE: 519800 91.4625 -145.812 -54.7416 -85.9853 -16.0366 45.957 -147.313 70.8249 28.6107 PRESSAVG: 519800 30.8224 -5.64264 -10.8374 -5.64269 23.1634 -74.8338 -10.8373 -74.8339 -34.4635 GPRESSAVG: 519800 29.1922 -5.5798 -11.207 -3.61329 23.9964 -73.6396 -12.0352 -73.1672 -33.2796 TIMING: 519800 CPU: 1502.12, 0.00290116/step Wall: 1502.12, 0.00290116/step, 3.61049 hours remaining, 207.558594 MB of memory in use. ENERGY: 519800 730.3366 2038.6541 1947.0445 122.4800 -205996.7835 17782.3922 0.0000 0.0000 34413.8591 -148962.0170 300.5448 -183375.8760 -148864.0182 300.4631 3.1288 34.6789 558225.5018 6.5075 6.6364 PRESSURE: 520000 50.4295 -57.6752 -139.405 -57.6766 -285.952 -69.0809 -139.406 -69.0817 -54.8289 GPRESSURE: 520000 20.7149 -58.1112 -101.642 -63.9262 -197.45 -118.663 -151.252 42.6404 -29.9484 PRESSAVG: 520000 0.455571 -18.0739 -18.6787 -18.0738 -35.1386 -1.92342 -18.6787 -1.9235 41.0574 GPRESSAVG: 520000 0.46133 -19.7236 -19.6534 -17.7004 -35.576 -2.24075 -17.7148 -3.30655 41.3999 TIMING: 520000 CPU: 1502.7, 0.00289457/step Wall: 1502.7, 0.00289457/step, 3.60213 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 520000 732.1457 2048.4076 1944.7348 109.3829 -205828.6846 17764.3177 0.0000 0.0000 34408.7614 -148820.9345 300.5003 -183229.6960 -148725.9132 300.4820 -96.7838 -68.8947 559972.3620 2.1248 2.0951 PRESSURE: 520200 164.553 83.7005 -146.072 83.7013 170.856 -41.2753 -146.073 -41.2758 132.69 GPRESSURE: 520200 213.537 72.7981 -158.904 19.4578 233.732 -77.5614 -152.648 -37.6158 120.488 PRESSAVG: 520200 -57.4483 -51.8006 -50.4207 -51.8006 35.3895 9.71426 -50.4206 9.71417 40.7844 GPRESSAVG: 520200 -56.38 -50.2128 -48.6075 -51.1266 36.0452 10.9115 -51.4297 10.7525 39.5877 TIMING: 520200 CPU: 1503.27, 0.00287209/step Wall: 1503.27, 0.00287209/step, 3.574 hours remaining, 207.558594 MB of memory in use. ENERGY: 520200 721.5982 2047.8166 1954.3479 101.0810 -206080.5095 18099.9147 0.0000 0.0000 34452.5278 -148703.2232 300.8825 -183155.7510 -148601.8264 300.8160 156.0331 189.2522 559421.2358 6.2419 6.4176 LDB: ============= START OF LOAD BALANCING ============== 1506.66 LDB: ============== END OF LOAD BALANCING =============== 1506.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1506.66 LDB: ============= START OF LOAD BALANCING ============== 1506.95 LDB: Largest compute 4820 load 0.027465 is 23.3% of average load 0.117819 LDB: Average compute 0.001712 is 1.5% of average load 0.117819 LDB: TIME 1506.95 LOAD: AVG 0.117819 MAX 0.179815 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.117 MB LDB: TIME 1506.95 LOAD: AVG 0.117819 MAX 0.179815 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.121 MB LDB: TIME 1506.95 LOAD: AVG 0.117819 MAX 0.179815 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1506.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1506.96 PRESSURE: 520400 24.7257 248.886 -12.3658 248.885 -82.7733 -8.99017 -12.3677 -8.98869 42.1976 GPRESSURE: 520400 20.1627 205.079 -17.5092 219.149 -33.242 -49.8985 -113.212 -44.6082 91.1903 PRESSAVG: 520400 14.1374 7.61921 8.60424 7.61906 -21.5426 14.4218 8.60408 14.4219 7.23163 GPRESSAVG: 520400 13.8042 6.16388 7.98943 5.63575 -23.349 12.1313 6.75711 15.5375 8.93316 TIMING: 520400 CPU: 1503.86, 0.00293926/step Wall: 1503.86, 0.00293926/step, 3.65742 hours remaining, 207.914062 MB of memory in use. ENERGY: 520400 746.3462 2095.1557 1957.0525 103.7871 -205795.8736 17694.9134 0.0000 0.0000 34432.8458 -148765.7729 300.7106 -183198.6187 -148674.7692 301.0137 -5.2833 26.0370 558637.3401 -0.0579 -0.2039 PRESSURE: 520600 67.7514 -201.02 -116.382 -201.019 129.444 124.344 -116.381 124.344 25.528 GPRESSURE: 520600 115.493 -166.966 -70.0735 -147.057 145.224 154.636 -179.957 199.435 55.1179 PRESSAVG: 520600 -48.8479 -29.3617 -26.0272 -29.3616 14.0731 14.6415 -26.0272 14.6414 39.5123 GPRESSAVG: 520600 -48.942 -29.3181 -27.458 -27.6189 16.1881 17.2756 -23.9719 14.3175 37.9901 TIMING: 520600 CPU: 1504.44, 0.0028974/step Wall: 1504.44, 0.00289739/step, 3.60516 hours remaining, 208.050781 MB of memory in use. ENERGY: 520600 744.4308 2082.0664 1962.7394 111.8400 -206069.0156 17885.5764 0.0000 0.0000 34348.5718 -148933.7908 299.9746 -183282.3626 -148841.3094 299.9736 74.2413 105.2782 558263.3989 1.5791 1.7454 PRESSURE: 520800 -190.991 -235.208 173.342 -235.208 -89.7977 -37.9126 173.342 -37.9138 183.722 GPRESSURE: 520800 -160.708 -203.04 248.653 -179.715 -31.1271 -46.3041 184.78 -55.1613 195.817 PRESSAVG: 520800 -62.5792 -13.0344 15.6287 -13.0343 16.1188 -4.74005 15.6287 -4.74006 48.4529 GPRESSAVG: 520800 -62.2115 -12.4069 15.9615 -12.7658 16.2134 -7.65844 16.8829 -3.27355 48.4496 TIMING: 520800 CPU: 1505.02, 0.0029037/step Wall: 1505.02, 0.00290371/step, 3.61285 hours remaining, 208.050781 MB of memory in use. ENERGY: 520800 735.4546 2068.3702 1949.9593 112.7598 -206011.4331 17713.4690 0.0000 0.0000 34385.9665 -149045.4537 300.3012 -183431.4202 -148953.8304 300.0513 -32.3558 1.3270 557392.3583 0.6642 0.8172 PRESSURE: 521000 -130.03 69.6862 41.5651 69.6858 -493.092 28.8666 41.5666 28.8659 197.251 GPRESSURE: 521000 -85.4602 100.017 21.5091 88.5729 -416.226 13.1044 25.734 50.434 188.345 PRESSAVG: 521000 -13.7385 1.72891 34.575 1.72893 10.241 -22.5359 34.575 -22.5359 34.6912 GPRESSAVG: 521000 -13.7078 3.56718 36.6152 0.724328 10.3054 -20.9143 31.3492 -23.7308 35.0459 TIMING: 521000 CPU: 1505.6, 0.00288555/step Wall: 1505.6, 0.00288555/step, 3.5901 hours remaining, 208.050781 MB of memory in use. ENERGY: 521000 768.8252 2065.5231 1977.7787 115.5746 -205646.5682 17472.7722 0.0000 0.0000 34262.0090 -148984.0854 299.2186 -183246.0944 -148886.6705 300.1870 -141.9572 -104.4470 557067.7649 10.3979 10.5478 PRESSURE: 521200 -39.4085 14.3909 171.848 14.3906 37.3398 -89.8871 171.848 -89.8879 -30.4345 GPRESSURE: 521200 28.8365 2.64958 96.0457 106.052 97.8001 -114.434 288.774 -123.952 -58.2672 PRESSAVG: 521200 -43.6533 14.7043 31.909 14.7042 -19.9987 25.3571 31.9089 25.3572 52.8377 GPRESSAVG: 521200 -43.1393 13.2402 31.3287 14.4008 -20.7285 26.5241 33.9108 26.07 53.0551 TIMING: 521200 CPU: 1506.18, 0.00289538/step Wall: 1506.18, 0.00289538/step, 3.60217 hours remaining, 208.050781 MB of memory in use. ENERGY: 521200 763.6402 2079.3342 1940.7739 108.3287 -206275.5748 17900.6540 0.0000 0.0000 34315.7631 -149167.0808 299.6881 -183482.8438 -149078.5555 299.6749 -10.8344 22.7898 557478.1985 -3.6048 -3.6042 PRESSURE: 521400 22.4766 49.424 79.0021 49.4238 -82.6106 -45.4406 79.0017 -45.4426 -245.972 GPRESSURE: 521400 54.0611 58.5946 48.8049 -40.9 -35.664 -79.5132 46.9919 -30.4574 -232.967 PRESSAVG: 521400 -10.2569 -5.30729 -18.9771 -5.30721 88.8468 23.5169 -18.9771 23.5167 -27.5055 GPRESSAVG: 521400 -9.52601 -5.23723 -21.1991 -5.80253 89.4317 20.5918 -18.9978 24.1771 -28.3502 TIMING: 521400 CPU: 1506.76, 0.00290375/step Wall: 1506.76, 0.00290375/step, 3.61242 hours remaining, 208.050781 MB of memory in use. ENERGY: 521400 737.2758 2046.6027 1958.8761 110.9733 -205826.9173 17538.9326 0.0000 0.0000 34403.8134 -149030.4434 300.4571 -183434.2568 -148929.1509 299.8923 -102.0355 -71.5233 557096.6568 17.0282 17.1852 PRESSURE: 521600 358.985 -142.269 131.812 -142.269 198.966 179.73 131.812 179.732 -46.5472 GPRESSURE: 521600 468.645 -169.007 171.764 5.37339 240.902 166.283 142.251 213.585 -105.314 PRESSAVG: 521600 45.3382 -25.9538 7.97728 -25.9537 70.8914 -37.3442 7.97718 -37.3442 -72.7004 GPRESSAVG: 521600 44.7246 -25.9515 10.8571 -25.5181 69.8894 -37.1046 8.42637 -39.3399 -71.3939 TIMING: 521600 CPU: 1507.34, 0.00288575/step Wall: 1507.34, 0.00288575/step, 3.58987 hours remaining, 208.050781 MB of memory in use. ENERGY: 521600 707.6936 2054.4629 1935.1517 108.2926 -206107.8318 18017.7013 0.0000 0.0000 34323.2147 -148961.3150 299.7532 -183284.5297 -148859.1553 299.2494 170.4679 201.4108 557693.6593 14.5097 14.4067 PRESSURE: 521800 32.1333 119.443 191.328 119.443 -265.34 -146.804 191.329 -146.804 -219.049 GPRESSURE: 521800 75.0522 83.0172 208.83 75.9168 -210.427 -200.218 184.658 -37.0175 -213.162 PRESSAVG: 521800 65.5281 -32.4225 62.5749 -32.4226 -56.307 5.61443 62.5749 5.61438 -17.9614 GPRESSAVG: 521800 65.8521 -32.387 60.8546 -30.6829 -55.7529 5.65128 62.2024 5.8696 -18.9651 TIMING: 521800 CPU: 1507.91, 0.00288406/step Wall: 1507.91, 0.00288406/step, 3.58762 hours remaining, 208.210938 MB of memory in use. ENERGY: 521800 728.0374 2017.2932 1964.0965 107.9794 -205805.7774 17624.3835 0.0000 0.0000 34433.6838 -148930.3036 300.7179 -183363.9874 -148829.2037 300.0176 -150.7520 -116.1788 559034.3587 -2.9135 -2.9553 PRESSURE: 522000 205.293 -58.5053 169.775 -58.5061 -181.11 -123.539 169.774 -123.538 -21.1331 GPRESSURE: 522000 167.912 85.1281 162.11 -128.066 -110.476 -136.598 232.111 -161.198 30.7528 PRESSAVG: 522000 43.0461 16.9832 43.3272 16.9832 -46.0096 12.1132 43.3272 12.1133 -30.6386 GPRESSAVG: 522000 43.0022 17.7892 43.3761 15.1033 -47.4732 14.47 43.5177 12.7602 -29.6456 TIMING: 522000 CPU: 1508.49, 0.00288483/step Wall: 1508.49, 0.00288483/step, 3.58841 hours remaining, 208.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 522000 720.1193 2048.5882 1941.7783 110.7873 -205818.6148 17754.1851 0.0000 0.0000 34324.1451 -148919.0114 299.7613 -183243.1565 -148824.7314 299.8095 1.0165 29.3964 558492.3578 -11.2007 -11.3722 PRESSURE: 522200 -104.596 68.0369 -69.1135 68.0378 -238.053 -24.8588 -69.1133 -24.8587 55.6402 GPRESSURE: 522200 -50.0753 99.5081 -52.4049 -62.0608 -164.003 -19.7413 -47.3902 -20.4447 27.8535 PRESSAVG: 522200 15.1246 4.18061 -1.74985 4.18061 26.6603 -15.5216 -1.7498 -15.5216 4.6152 GPRESSAVG: 522200 14.9563 4.48094 -0.981754 2.2906 28.2949 -16.3714 -2.93425 -15.7424 3.21968 TIMING: 522200 CPU: 1509.07, 0.00288578/step Wall: 1509.07, 0.00288578/step, 3.58943 hours remaining, 208.210938 MB of memory in use. ENERGY: 522200 759.4355 2065.5717 1965.5126 130.0780 -205955.4973 17719.0353 0.0000 0.0000 34319.6733 -148996.1910 299.7222 -183315.8642 -148901.1952 299.2003 -95.6696 -62.0748 557943.6632 15.4667 15.4903 PRESSURE: 522400 -144.999 -50.2377 -100.109 -50.2375 286.123 -70.2073 -100.108 -70.2068 -269.356 GPRESSURE: 522400 -106.07 -39.2429 5.60778 -44.9414 261.346 -85.5816 -90.4236 -117.764 -184.868 PRESSAVG: 522400 39.2591 5.97365 -5.17676 5.97368 -50.3943 -40.9124 -5.17675 -40.9124 39.2612 GPRESSAVG: 522400 39.2815 5.24149 -6.05741 5.75558 -51.4762 -41.6995 -5.62783 -41.0414 40.6901 TIMING: 522400 CPU: 1509.64, 0.00287427/step Wall: 1509.64, 0.00287427/step, 3.57496 hours remaining, 208.210938 MB of memory in use. ENERGY: 522400 736.3054 2032.4753 1978.7301 122.7024 -205923.2176 17824.6700 0.0000 0.0000 34091.9695 -149136.3649 297.7336 -183228.3344 -149041.5868 299.7128 -42.7443 -9.8641 558873.2685 9.3753 9.4984 PRESSURE: 522600 8.73995 52.4327 -212.137 52.433 -223.95 -121.612 -212.136 -121.613 -122.702 GPRESSURE: 522600 36.0602 48.0839 -133.087 60.5008 -196.851 -184.595 -251.561 -89.2351 -88.7676 PRESSAVG: 522600 -28.6585 2.62117 -31.0295 2.62112 0.74095 -74.8654 -31.0296 -74.8653 8.04301 GPRESSAVG: 522600 -28.9261 2.37008 -30.5729 5.11877 1.70358 -73.9575 -31.687 -74.128 7.0442 TIMING: 522600 CPU: 1510.22, 0.00288771/step Wall: 1510.22, 0.00288771/step, 3.59151 hours remaining, 208.210938 MB of memory in use. ENERGY: 522600 732.4330 1999.3041 1961.5392 113.8046 -206085.7279 17557.9413 0.0000 0.0000 34520.7745 -149199.9313 301.4785 -183720.7058 -149106.4137 299.4262 -112.6371 -83.1861 556170.6290 -6.6248 -6.7261 PRESSURE: 522800 175.715 28.6729 -130.105 28.6731 87.6556 -133.263 -130.105 -133.262 -172.007 GPRESSURE: 522800 198.663 -29.6182 -150.037 73.0116 134.978 -199.738 -46.1105 -93.273 -133.744 PRESSAVG: 522800 55.8078 3.61494 -40.4073 3.61502 -37.2415 -47.6602 -40.4073 -47.6603 -3.26629 GPRESSAVG: 522800 55.4516 3.51276 -40.1609 3.37986 -37.6103 -49.0999 -38.3351 -48.2733 -3.32723 TIMING: 522800 CPU: 1510.8, 0.0029118/step Wall: 1510.8, 0.0029118/step, 3.62131 hours remaining, 208.210938 MB of memory in use. ENERGY: 522800 709.3215 2036.3018 1950.3238 125.2699 -205919.7744 17662.6815 0.0000 0.0000 34360.0009 -149075.8749 300.0744 -183435.8758 -148969.9946 299.7159 30.4545 66.6322 556773.1260 5.1000 4.8380 PRESSURE: 523000 38.9321 -6.60908 57.5598 -6.60902 -145.585 106.932 57.5593 106.932 -386.691 GPRESSURE: 523000 58.5574 41.6391 9.66125 29.5948 -125.417 149.06 89.2022 72.6776 -327.336 PRESSAVG: 523000 75.9074 26.1981 18.739 26.198 -31.0094 -64.5433 18.739 -64.5433 -91.2741 GPRESSAVG: 523000 75.4492 24.9368 20.6047 28.0585 -31.3073 -63.1518 16.5706 -65.2334 -90.6957 TIMING: 523000 CPU: 1511.38, 0.00288781/step Wall: 1511.38, 0.00288781/step, 3.59131 hours remaining, 208.414062 MB of memory in use. ENERGY: 523000 736.5607 2059.3826 1917.1343 111.1362 -205773.3484 17607.4101 0.0000 0.0000 34106.1397 -149235.5848 297.8574 -183341.7245 -149136.9416 299.5376 -164.4480 -131.3988 557621.5789 -15.4587 -15.5179 PRESSURE: 523200 221.823 40.4388 121.664 40.4383 -10.6384 39.203 121.665 39.2025 -3.19799 GPRESSURE: 523200 267.881 58.4729 206.374 41.1179 -24.4265 38.3826 61.7216 31.9392 53.8419 PRESSAVG: 523200 40.4536 6.00555 41.0842 6.00553 -53.0166 -41.5989 41.0842 -41.5989 -3.05547 GPRESSAVG: 523200 41.0789 7.86792 37.2185 2.80072 -52.9727 -40.8013 43.8073 -41.7896 -3.08264 TIMING: 523200 CPU: 1511.96, 0.00289802/step Wall: 1511.96, 0.00289802/step, 3.60385 hours remaining, 208.414062 MB of memory in use. ENERGY: 523200 707.1455 2108.0794 1946.8438 119.8598 -206332.0760 17748.2919 0.0000 0.0000 34340.3006 -149361.5550 299.9024 -183701.8556 -149272.3644 298.7559 69.3289 99.0988 555992.6709 -5.2061 -4.9921 PRESSURE: 523400 -44.2221 87.9924 76.4508 87.9916 -58.6171 -109.795 76.4512 -109.796 -209.161 GPRESSURE: 523400 -16.6646 72.349 129.397 121.515 -52.0246 -26.1398 96.5964 -116.902 -126.81 PRESSAVG: 523400 66.3743 17.7942 23.9459 17.7941 -15.4051 -33.0949 23.9458 -33.0949 -16.9351 GPRESSAVG: 523400 66.1555 17.7666 26.3726 19.0215 -15.5025 -33.8167 23.7092 -32.5087 -15.8549 TIMING: 523400 CPU: 1512.54, 0.00289297/step Wall: 1512.54, 0.00289297/step, 3.59741 hours remaining, 208.414062 MB of memory in use. ENERGY: 523400 681.4283 2070.3890 1912.1547 112.2953 -206027.5279 17652.7905 0.0000 0.0000 34301.1196 -149297.3505 299.5602 -183598.4701 -149198.2330 299.5084 -104.0002 -65.1665 556911.1817 11.3447 11.5994 PRESSURE: 523600 -115.34 44.4926 -70.1506 44.4928 -72.6595 34.2249 -70.1496 34.2236 207.671 GPRESSURE: 523600 -34.597 -14.0297 -97.1137 131.649 -115.043 -8.38888 -70.2233 48.738 278.572 PRESSAVG: 523600 0.0782723 29.698 83.9739 29.698 27.773 -6.32125 83.974 -6.32132 -21.2615 GPRESSAVG: 523600 1.72713 29.3787 83.7469 31.4623 27.7189 -6.15891 82.4386 -7.02575 -22.7759 TIMING: 523600 CPU: 1513.11, 0.00288693/step Wall: 1513.11, 0.00288693/step, 3.58974 hours remaining, 208.414062 MB of memory in use. ENERGY: 523600 715.5573 2034.0772 1954.1912 114.7219 -206538.1370 17906.5004 0.0000 0.0000 34514.6952 -149298.3937 301.4254 -183813.0889 -149202.7010 298.5580 6.5571 42.9772 557538.0101 2.1966 2.2234 PRESSURE: 523800 89.3624 -124.443 101.379 -124.442 -35.5296 -132.999 101.378 -132.999 -92.4871 GPRESSURE: 523800 97.7278 -70.527 113.354 -180.82 -6.2543 -106.513 134.903 -111.222 -37.249 PRESSAVG: 523800 63.909 2.61103 15.8345 2.61095 -40.7395 5.08714 15.8346 5.08719 42.6861 GPRESSAVG: 523800 64.5426 0.800409 14.2897 1.03433 -40.3023 6.70329 18.3283 5.94809 41.2911 TIMING: 523800 CPU: 1513.69, 0.00288072/step Wall: 1513.69, 0.00288072/step, 3.58185 hours remaining, 208.414062 MB of memory in use. ENERGY: 523800 727.4740 2055.7835 1948.2593 112.3522 -206160.5098 17849.4484 0.0000 0.0000 34217.3913 -149249.8011 298.8290 -183467.1924 -149155.6439 299.2402 -12.8848 18.0748 557915.5717 21.9519 21.8438 PRESSURE: 524000 -19.3629 42.7999 95.9597 42.8 285.901 -121.353 95.9585 -121.355 35.4833 GPRESSURE: 524000 39.1668 -55.7482 61.6654 60.7281 293.956 -129.139 118.599 -217.668 68.7713 PRESSAVG: 524000 -72.1609 30.115 15.8027 30.115 54.1154 26.07 15.8027 26.07 30.7333 GPRESSAVG: 524000 -73.396 29.6279 17.3014 30.0625 53.9199 23.8443 13.528 26.7031 32.2089 TIMING: 524000 CPU: 1514.27, 0.00290372/step Wall: 1514.27, 0.00290372/step, 3.61029 hours remaining, 208.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 524000 693.2281 2045.5143 1970.3779 108.8191 -206174.1555 17741.5323 0.0000 0.0000 34258.5105 -149356.1733 299.1881 -183614.6838 -149266.4368 299.0627 100.6738 133.9649 556591.1226 4.2293 4.2443 PRESSURE: 524200 239.869 -11.6875 -164.973 -11.6885 242.808 80.2276 -164.974 80.2269 137.768 GPRESSURE: 524200 312.141 -11.1455 -200.723 19.9925 261.007 156.395 -129.56 111.098 146.9 PRESSAVG: 524200 -5.89034 46.916 -5.14723 46.9159 5.60146 2.20615 -5.14731 2.20616 -23.744 GPRESSAVG: 524200 -6.53802 47.9831 -6.37269 46.3726 6.63299 2.67306 -4.23853 2.02399 -23.9547 TIMING: 524200 CPU: 1514.85, 0.00291014/step Wall: 1514.85, 0.00291014/step, 3.61812 hours remaining, 208.414062 MB of memory in use. ENERGY: 524200 714.3543 2061.8976 1941.2915 105.7942 -206686.7394 18244.0362 0.0000 0.0000 34440.8943 -149178.4713 300.7809 -183619.3656 -149086.7138 299.3358 206.8149 240.0159 557037.2655 -8.0110 -7.9532 LDB: ============= START OF LOAD BALANCING ============== 1518.24 LDB: ============== END OF LOAD BALANCING =============== 1518.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1518.24 LDB: ============= START OF LOAD BALANCING ============== 1518.53 LDB: Largest compute 4820 load 0.028482 is 24.2% of average load 0.117796 LDB: Average compute 0.001719 is 1.5% of average load 0.117796 LDB: TIME 1518.54 LOAD: AVG 0.117796 MAX 0.182014 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.598 MB LDB: TIME 1518.54 LOAD: AVG 0.117796 MAX 0.182014 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.656 MB LDB: TIME 1518.54 LOAD: AVG 0.117796 MAX 0.182014 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1518.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1518.54 PRESSURE: 524400 -2.20506 -54.3073 -104.919 -54.3068 -196.63 -115.013 -104.919 -115.014 -266.638 GPRESSURE: 524400 2.01371 -99.2716 -32.1517 -44.7245 -98.3236 -25.6645 -73.5416 -157.803 -276.126 PRESSAVG: 524400 30.3483 -3.29477 -67.309 -3.29472 -13.668 -28.5381 -67.309 -28.538 13.4526 GPRESSAVG: 524400 30.7223 -2.6504 -67.0448 -4.52815 -13.8633 -26.1788 -65.7336 -30.2992 13.3993 TIMING: 524400 CPU: 1515.45, 0.00296724/step Wall: 1515.45, 0.00296724/step, 3.68893 hours remaining, 205.531250 MB of memory in use. ENERGY: 524400 739.8279 2086.7330 1974.1269 106.0172 -205645.3956 17383.7981 0.0000 0.0000 34175.8970 -149178.9954 298.4666 -183354.8924 -149083.5800 299.4746 -155.1577 -124.1452 558232.1622 10.0443 10.0861 PRESSURE: 524600 156.168 -33.2898 -22.5303 -33.2903 294.003 -107.843 -22.5306 -107.844 93.5161 GPRESSURE: 524600 239.556 -37.7726 13.3449 -67.5082 262.785 -140.188 11.2756 -83.2268 130.829 PRESSAVG: 524600 -33.3464 -14.7547 -1.64634 -14.7547 -29.9715 22.9331 -1.64634 22.9331 63.1699 GPRESSAVG: 524600 -33.9338 -16.0142 -2.00789 -12.736 -29.9376 18.5756 -2.00484 24.956 63.8192 TIMING: 524600 CPU: 1516.03, 0.00290834/step Wall: 1516.03, 0.00290834/step, 3.61556 hours remaining, 205.734375 MB of memory in use. ENERGY: 524600 736.5543 2096.4691 1963.2187 110.5394 -206210.1272 17862.2095 0.0000 0.0000 34161.5988 -149279.5375 298.3417 -183441.1363 -149183.4579 299.6619 181.2288 211.0565 556854.8893 -0.0493 -0.0174 PRESSURE: 524800 -164.45 89.8673 -30.5827 89.8681 -138.702 14.1963 -30.5819 14.1961 -217.572 GPRESSURE: 524800 -150.069 57.3467 67.3641 73.5918 -111.136 -66.1569 -147.235 104.189 -165.7 PRESSAVG: 524800 -28.5332 -29.1514 56.771 -29.1513 10.5 -19.0146 56.771 -19.0146 35.4377 GPRESSAVG: 524800 -26.4224 -26.822 56.3996 -29.5244 8.67624 -15.7877 56.7328 -21.5974 35.6217 TIMING: 524800 CPU: 1516.61, 0.00292492/step Wall: 1516.61, 0.00292492/step, 3.636 hours remaining, 205.734375 MB of memory in use. ENERGY: 524800 743.7893 2072.3926 1942.1614 108.6026 -206048.2053 17572.5616 0.0000 0.0000 34320.8790 -149287.8187 299.7328 -183608.6977 -149188.3951 299.4873 -173.5745 -142.3019 557164.4295 5.8015 5.9585 PRESSURE: 525000 -267.356 -185.407 84.2908 -185.409 -321.833 -66.9479 84.2913 -66.9469 -140.445 GPRESSURE: 525000 -225.459 -174.25 58.2383 -140.053 -249.352 -82.9171 106.51 -3.71529 -166.716 PRESSAVG: 525000 -18.7569 -26.4884 -9.0613 -26.4883 -3.36505 2.76391 -9.06123 2.76399 7.35109 GPRESSAVG: 525000 -19.9618 -26.3829 -8.54297 -28.1664 -2.37717 -0.0929594 -10.1725 5.39372 7.14179 TIMING: 525000 CPU: 1517.19, 0.00287949/step Wall: 1517.19, 0.00287949/step, 3.57937 hours remaining, 205.734375 MB of memory in use. ENERGY: 525000 753.1680 2103.3657 1935.2225 113.8851 -206027.6263 17549.7518 0.0000 0.0000 34286.5445 -149285.6888 299.4329 -183572.2333 -149191.2586 298.8590 -243.2111 -213.8422 558430.0336 -4.9236 -5.0657 PRESSURE: 525200 -92.0472 -100.632 148.46 -100.632 -241.478 -134.041 148.46 -134.041 -124.271 GPRESSURE: 525200 -47.8759 -66.5535 133.309 -121.683 -205.808 -124.35 189.426 -128.915 -98.3517 PRESSAVG: 525200 -10.9072 -26.4165 37.5584 -26.4166 -12.7497 21.4863 37.5584 21.4863 -6.40297 GPRESSAVG: 525200 -10.8809 -27.4142 39.2007 -25.8264 -12.2085 22.5431 38.053 21.1216 -6.46954 TIMING: 525200 CPU: 1517.77, 0.00289606/step Wall: 1517.77, 0.00289606/step, 3.5998 hours remaining, 205.734375 MB of memory in use. ENERGY: 525200 743.3731 2051.9147 1958.3261 111.8470 -206054.8089 17584.5055 0.0000 0.0000 34284.5965 -149320.2460 299.4159 -183604.8426 -149222.2660 299.0460 -152.5988 -117.3452 558158.9629 -10.0200 -9.8530 PRESSURE: 525400 -437.053 -90.4187 49.9479 -90.4189 101.315 132.781 49.9479 132.78 267.076 GPRESSURE: 525400 -346.733 -56.7331 24.9367 -95.9829 62.8852 158.476 15.0822 193.286 330.846 PRESSAVG: 525400 -22.6659 45.6385 1.13635 45.6385 -80.8523 44.274 1.13635 44.2739 92.3838 GPRESSAVG: 525400 -21.8031 47.4905 -0.17646 44.8768 -82.632 44.8924 -0.352181 43.8477 92.8986 TIMING: 525400 CPU: 1518.35, 0.00290485/step Wall: 1518.35, 0.00290485/step, 3.61057 hours remaining, 205.734375 MB of memory in use. ENERGY: 525400 721.2708 2080.1958 1966.3506 112.7258 -206291.6484 17710.6105 0.0000 0.0000 34354.5503 -149345.9445 300.0268 -183700.4947 -149251.9239 298.9582 -22.8873 15.6660 558387.3498 -3.7114 -3.8455 PRESSURE: 525600 -328.693 62.4912 68.1303 62.4896 -222.103 -25.6685 68.1294 -25.6684 -244.447 GPRESSURE: 525600 -282.698 76.555 57.4659 36.9265 -212.358 -3.18798 51.4352 -21.3439 -217.476 PRESSAVG: 525600 -84.8938 39.9191 -8.5496 39.9191 10.0156 -15.1861 -8.54971 -15.1862 113.311 GPRESSAVG: 525600 -84.6342 39.8407 -7.47263 41.2458 10.9288 -15.0091 -9.21505 -14.2971 111.952 TIMING: 525600 CPU: 1518.92, 0.00286785/step Wall: 1518.92, 0.00286785/step, 3.56442 hours remaining, 205.734375 MB of memory in use. ENERGY: 525600 720.9368 2129.5224 1965.3468 115.9131 -205912.5255 17507.9587 0.0000 0.0000 34331.1017 -149141.7460 299.8220 -183472.8477 -149049.2023 299.4588 -265.0807 -237.5106 558082.9747 12.8109 12.7489 PRESSURE: 525800 46.4035 169.062 -122.438 169.062 49.9077 152.817 -122.438 152.817 -1.61753 GPRESSURE: 525800 82.4608 71.8607 -113.452 171.639 24.8907 169.665 -21.3072 59.508 88.0062 PRESSAVG: 525800 -6.54728 52.2851 -21.5656 52.285 4.88292 -24.4639 -21.5655 -24.4639 29.2116 GPRESSAVG: 525800 -6.53458 52.1706 -24.6495 51.5292 4.57586 -23.9816 -19.3625 -25.116 29.2971 TIMING: 525800 CPU: 1519.49, 0.00285976/step Wall: 1519.49, 0.00285976/step, 3.5542 hours remaining, 205.734375 MB of memory in use. ENERGY: 525800 738.0936 2041.8615 1954.0550 115.0357 -206359.3386 18044.0415 0.0000 0.0000 34025.0256 -149441.2257 297.1490 -183466.2513 -149348.2391 299.0211 31.5645 65.1193 558541.2777 9.1824 9.1128 PRESSURE: 526000 217.75 -89.2755 30.2813 -89.2751 70.4316 36.4319 30.2811 36.4328 311.76 GPRESSURE: 526000 203.173 -110.194 39.871 -84.9449 146.903 60.8437 123.436 102.279 327.15 PRESSAVG: 526000 -3.34433 32.777 -17.2167 32.777 -9.85742 8.38381 -17.2167 8.38385 -4.70196 GPRESSAVG: 526000 -3.91664 32.2474 -17.3061 31.3667 -9.23777 9.62225 -16.6061 7.39281 -5.07523 TIMING: 526000 CPU: 1520.07, 0.00286297/step Wall: 1520.07, 0.00286297/step, 3.55804 hours remaining, 205.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 526000 709.6695 2098.7550 1998.0586 109.0258 -206779.4875 18303.3753 0.0000 0.0000 34158.0956 -149402.5078 298.3111 -183560.6034 -149305.5453 298.5264 199.9806 225.7420 558297.9018 -5.9679 -6.0765 PRESSURE: 526200 -86.6177 -174.295 -8.55017 -174.294 137.824 -43.1383 -8.54941 -43.1389 23.4645 GPRESSURE: 526200 -35.8731 -119.282 -6.96676 -191.395 127.446 2.07662 46.7912 -80.7165 78.4635 PRESSAVG: 526200 28.8982 -21.9396 -36.9504 -21.9395 -5.77327 -0.97547 -36.9503 -0.975568 -9.92345 GPRESSAVG: 526200 28.1414 -22.5704 -34.3412 -19.9933 -6.04505 -0.439024 -38.7391 -1.32123 -9.18733 TIMING: 526200 CPU: 1520.64, 0.00286977/step Wall: 1520.64, 0.00286977/step, 3.56633 hours remaining, 205.855469 MB of memory in use. ENERGY: 526200 751.1451 2090.9206 1958.5689 105.4710 -206850.0540 18104.5700 0.0000 0.0000 34403.8332 -149435.5451 300.4572 -183839.3784 -149331.3022 298.7681 24.8903 56.6789 557148.8018 4.4005 4.3030 PRESSURE: 526400 -151.13 -25.1908 20.5939 -25.1921 32.3003 -52.7297 20.5925 -52.7305 -171.684 GPRESSURE: 526400 -163.366 10.9645 -7.54489 -85.5115 92.8851 -38.4936 21.2727 -92.9038 -127.175 PRESSAVG: 526400 -22.2573 3.88599 -30.905 3.88608 -46.8522 -23.6627 -30.905 -23.6627 19.5717 GPRESSAVG: 526400 -21.5681 3.81671 -29.1139 3.96868 -47.5699 -26.7566 -32.2227 -22.4041 19.4314 TIMING: 526400 CPU: 1521.21, 0.00286798/step Wall: 1521.21, 0.00286798/step, 3.56395 hours remaining, 205.855469 MB of memory in use. ENERGY: 526400 755.5596 2029.6252 1967.1441 121.8870 -206282.0202 17744.4157 0.0000 0.0000 34353.0758 -149310.3128 300.0140 -183663.3886 -149209.8524 297.9613 -96.8378 -65.8854 556703.0499 -16.5126 -16.5688 PRESSURE: 526600 -321.773 27.3443 17.3367 27.343 85.8581 -177.525 17.3349 -177.525 -17.8509 GPRESSURE: 526600 -271.239 111.309 20.5423 2.99533 74.8571 -58.4076 31.2598 -139.351 44.8114 PRESSAVG: 526600 -5.75216 -2.81863 -35.2154 -2.81862 3.40853 -40.6856 -35.2156 -40.6856 -31.6014 GPRESSAVG: 526600 -5.33272 -4.93212 -36.1211 -2.50272 3.64024 -39.0601 -34.0618 -41.1218 -32.3883 TIMING: 526600 CPU: 1521.79, 0.00287316/step Wall: 1521.79, 0.00287316/step, 3.57023 hours remaining, 205.855469 MB of memory in use. ENERGY: 526600 766.3070 2050.5788 1958.3250 122.7788 -206002.8981 17640.1842 0.0000 0.0000 34312.5404 -149152.1838 299.6599 -183464.7242 -149049.7406 299.2434 -84.5887 -50.5233 557810.4234 -11.3150 -11.3603 PRESSURE: 526800 -181.806 15.2505 28.5313 15.2502 153.851 -21.7118 28.5328 -21.7117 58.3793 GPRESSURE: 526800 -198.682 13.7453 28.8881 -22.3761 190.18 -53.7223 15.5383 -11.0867 127.471 PRESSAVG: 526800 -13.7645 3.34749 -48.1555 3.34751 -34.1085 -54.4391 -48.1556 -54.439 65.7004 GPRESSAVG: 526800 -13.9492 4.63084 -50.3357 1.98985 -34.1256 -54.8149 -46.7482 -55.7962 65.7157 TIMING: 526800 CPU: 1522.37, 0.00288707/step Wall: 1522.37, 0.00288707/step, 3.58734 hours remaining, 205.855469 MB of memory in use. ENERGY: 526800 737.9822 2150.2283 1929.5244 115.1092 -206182.0545 17904.6379 0.0000 0.0000 34086.0301 -149258.5424 297.6818 -183344.5725 -149160.7231 299.4258 10.1415 39.6564 558625.9534 5.9425 5.8803 PRESSURE: 527000 335.384 -13.4783 86.1017 -13.4794 171.632 108.112 86.1019 108.111 206.631 GPRESSURE: 527000 348.239 -136.416 86.8344 12.7986 183.256 110.14 123.093 62.2627 259.776 PRESSAVG: 527000 -27.1281 -22.8818 -19.7208 -22.8817 35.7992 -42.5933 -19.7208 -42.5933 16.4514 GPRESSAVG: 527000 -28.3235 -23.6063 -19.4315 -23.3925 35.8924 -42.7057 -20.7431 -41.0153 17.6396 TIMING: 527000 CPU: 1522.95, 0.00291436/step Wall: 1522.95, 0.00291436/step, 3.6211 hours remaining, 205.855469 MB of memory in use. ENERGY: 527000 734.2019 2063.1528 1974.9853 112.9033 -206636.1710 17973.3674 0.0000 0.0000 34194.3362 -149583.2242 298.6276 -183777.5604 -149481.3158 298.5158 237.8822 263.7570 555075.4635 8.3742 8.4028 PRESSURE: 527200 -384.68 -25.7587 -86.3055 -25.7592 -99.5794 -44.9669 -86.3046 -44.967 -168.849 GPRESSURE: 527200 -332.796 -53.941 -99.3357 -35.6896 -66.9355 -35.8844 -166.412 -45.9595 -151.449 PRESSAVG: 527200 7.23105 -6.33177 -4.92413 -6.33171 28.0308 16.21 -4.92414 16.2099 -64.4739 GPRESSAVG: 527200 8.25027 -4.76746 -4.6605 -5.90367 27.9585 16.848 -4.29774 14.3718 -65.6138 TIMING: 527200 CPU: 1523.53, 0.00290418/step Wall: 1523.53, 0.00290418/step, 3.60829 hours remaining, 205.855469 MB of memory in use. ENERGY: 527200 751.2886 2079.6816 1975.9707 108.7899 -206189.1951 17468.3453 0.0000 0.0000 34137.9124 -149667.2065 298.1349 -183805.1190 -149576.1772 298.3940 -217.7027 -183.7269 557237.8564 -9.7373 -9.8017 PRESSURE: 527400 -189.389 44.7368 200.945 44.736 -60.9305 70.9715 200.946 70.9734 20.0864 GPRESSURE: 527400 -111.388 59.7928 282.407 74.4563 18.3305 69.7583 225.44 73.1008 -33.9621 PRESSAVG: 527400 8.09804 -13.7522 14.1876 -13.7522 40.3293 4.6231 14.1877 4.623 -62.1582 GPRESSAVG: 527400 8.30638 -14.0279 13.4285 -15.1449 40.1695 3.48586 14.9447 5.78878 -61.95 TIMING: 527400 CPU: 1524.11, 0.00289101/step Wall: 1524.11, 0.00289101/step, 3.59175 hours remaining, 205.855469 MB of memory in use. ENERGY: 527400 745.8664 2114.2950 1946.9594 111.1852 -206081.3891 17558.2707 0.0000 0.0000 34051.4190 -149553.3933 297.3795 -183604.8123 -149459.7804 298.1341 -76.7444 -42.3400 556245.3413 -4.5770 -4.4914 PRESSURE: 527600 235.41 -57.1883 -154.872 -57.1883 -108.664 122.069 -154.872 122.069 14.8256 GPRESSURE: 527600 222.131 -28.0958 -112.158 -49.2698 -69.9275 89.2975 -107.606 115.182 89.0188 PRESSAVG: 527600 57.6854 -41.8126 41.9595 -41.8126 -68.9328 34.6177 41.9595 34.6178 -15.4229 GPRESSAVG: 527600 57.0059 -40.6982 44.6141 -39.4768 -68.1567 37.5429 41.8711 32.4784 -14.7528 TIMING: 527600 CPU: 1524.69, 0.00288161/step Wall: 1524.69, 0.00288161/step, 3.57992 hours remaining, 205.855469 MB of memory in use. ENERGY: 527600 770.5039 2104.4406 1948.1190 109.3246 -206631.8369 17786.4317 0.0000 0.0000 34547.8114 -149365.2058 301.7146 -183913.0172 -149260.1675 299.1412 47.1903 80.4074 554266.6900 -8.8901 -8.6345 PRESSURE: 527800 -55.9308 135.972 16.9971 135.973 -84.1773 151.862 16.9976 151.862 -231.306 GPRESSURE: 527800 -8.14442 105.153 34.5589 171.358 -38.1045 92.5947 -51.6859 182.253 -222.479 PRESSAVG: 527800 11.8151 -37.047 -10.4121 -37.047 -10.9445 4.7912 -10.412 4.79131 -10.5988 GPRESSAVG: 527800 12.4305 -36.7205 -14.5226 -38.6871 -10.9206 4.42886 -9.82856 5.13612 -11.3045 TIMING: 527800 CPU: 1525.26, 0.00287486/step Wall: 1525.26, 0.00287486/step, 3.57137 hours remaining, 205.855469 MB of memory in use. ENERGY: 527800 739.9871 2103.6286 1957.5500 111.1198 -206234.3709 17719.1387 0.0000 0.0000 34424.1298 -149178.8168 300.6345 -183602.9466 -149086.7451 299.6261 -123.8046 -89.5761 558236.0048 -3.2427 -3.2649 PRESSURE: 528000 -180.374 -95.0379 80.3712 -95.0397 -30.537 -78.9178 80.3698 -78.9173 144.718 GPRESSURE: 528000 -165.929 -132.247 110.147 -52.5994 44.7901 -33.78 101.755 -117.519 161.762 PRESSAVG: 528000 -55.246 21.581 26.3546 21.581 61.0249 -9.34143 26.3547 -9.34157 16.8402 GPRESSAVG: 528000 -54.7252 20.196 29.3083 21.8499 60.9881 -11.2538 25.0929 -8.91899 16.4648 TIMING: 528000 CPU: 1525.84, 0.00289303/step Wall: 1525.84, 0.00289302/step, 3.59378 hours remaining, 205.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 528000 733.1519 2142.0555 1959.3535 118.6686 -206368.6546 17842.1449 0.0000 0.0000 34408.2125 -149165.0677 300.4955 -183573.2801 -149073.5081 299.9675 -22.0644 13.5410 557017.4269 7.5397 7.5759 PRESSURE: 528200 -303.995 -35.99 104.71 -35.9901 -113.401 -101.417 104.712 -101.417 -296.453 GPRESSURE: 528200 -341.386 29.3372 75.2369 -3.77055 -58.9135 -34.9249 116.586 -175.351 -210.565 PRESSAVG: 528200 31.8626 12.3982 57.7349 12.3983 29.3859 -19.3368 57.7348 -19.3368 -72.9738 GPRESSAVG: 528200 30.6392 13.7408 56.2189 12.5702 29.745 -18.3612 58.2275 -19.0782 -71.8015 TIMING: 528200 CPU: 1526.41, 0.00288076/step Wall: 1526.41, 0.00288076/step, 3.57838 hours remaining, 205.855469 MB of memory in use. ENERGY: 528200 740.1540 2083.3518 1955.9317 107.3193 -205743.0999 17490.8092 0.0000 0.0000 34250.3380 -149115.1959 299.1167 -183365.5338 -149014.2014 299.8822 -237.9496 -203.6214 558697.0697 -3.9084 -3.8058 LDB: ============= START OF LOAD BALANCING ============== 1529.8 LDB: ============== END OF LOAD BALANCING =============== 1529.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1529.8 LDB: ============= START OF LOAD BALANCING ============== 1530.09 LDB: Largest compute 4820 load 0.028962 is 24.6% of average load 0.117901 LDB: Average compute 0.001714 is 1.5% of average load 0.117901 LDB: TIME 1530.09 LOAD: AVG 0.117901 MAX 0.181315 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.918 MB LDB: TIME 1530.09 LOAD: AVG 0.117901 MAX 0.181315 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.121 MB LDB: TIME 1530.09 LOAD: AVG 0.117901 MAX 0.181315 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1530.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1530.09 PRESSURE: 528400 -94.3519 -90.4028 17.4048 -90.4012 -169.861 -59.7533 17.4032 -59.7518 -71.6632 GPRESSURE: 528400 -38.3292 -81.3525 98.323 -25.7651 -193.401 28.3257 -39.9466 -83.2601 -9.77362 PRESSAVG: 528400 -25.0881 -39.5148 11.3235 -39.5148 50.2886 -20.872 11.3234 -20.872 -6.55507 GPRESSAVG: 528400 -24.7766 -40.5699 14.8933 -38.7276 49.9502 -22.1149 9.56744 -21.7968 -7.01646 TIMING: 528400 CPU: 1527, 0.00292225/step Wall: 1527, 0.00292225/step, 3.62976 hours remaining, 204.257812 MB of memory in use. ENERGY: 528400 732.2801 2077.9162 1945.7825 104.1300 -205861.7351 17467.4449 0.0000 0.0000 34275.0272 -149259.1542 299.3323 -183534.1814 -149158.9112 299.8105 -111.9589 -80.5011 558013.9546 6.2151 6.0524 PRESSURE: 528600 164.23 -19.0132 11.961 -19.0129 -110.866 -45.4325 11.9604 -45.4336 -144.813 GPRESSURE: 528600 145.725 -87.1315 -0.208157 -44.5651 -68.1249 -10.2347 40.4666 -100.559 -71.4535 PRESSAVG: 528600 -14.3478 -53.8729 6.45882 -53.873 2.08009 52.5685 6.45878 52.5684 -7.10408 GPRESSAVG: 528600 -13.7367 -52.5449 4.65714 -55.2885 1.98203 53.4853 7.41791 51.8035 -7.67205 TIMING: 528600 CPU: 1527.58, 0.00288054/step Wall: 1527.58, 0.00288054/step, 3.57779 hours remaining, 204.257812 MB of memory in use. ENERGY: 528600 742.4939 2100.1783 1949.3664 102.3358 -206340.0129 17944.8070 0.0000 0.0000 34150.6619 -149350.1696 298.2462 -183500.8315 -149245.3356 298.9486 -30.4831 2.0488 556497.4073 -6.4573 -6.4756 PRESSURE: 528800 120.54 -39.2134 69.9687 -39.2142 160.937 -80.1682 69.9688 -80.1677 116.824 GPRESSURE: 528800 147.423 -7.3681 39.4998 -62.2768 170.555 -73.0978 101.085 -115.923 175.893 PRESSAVG: 528800 -6.33593 22.6165 4.938 22.6165 29.9906 41.5879 4.93804 41.5879 14.7969 GPRESSAVG: 528800 -6.98828 21.5157 3.76243 23.7924 30.8973 42.1548 5.19586 42.5936 14.2686 TIMING: 528800 CPU: 1528.15, 0.00289179/step Wall: 1528.15, 0.00289179/step, 3.5916 hours remaining, 204.375000 MB of memory in use. ENERGY: 528800 758.0176 2066.9026 1957.1672 115.1043 -206514.2000 18095.3353 0.0000 0.0000 34153.1844 -149368.4886 298.2683 -183521.6729 -149270.2700 298.7339 132.7670 164.6238 557781.3356 12.8172 12.7259 PRESSURE: 529000 -227.074 287.63 109.362 287.631 -243.185 -123.769 109.362 -123.768 20.7364 GPRESSURE: 529000 -188.873 314.487 20.6708 161.791 -182.802 -83.1726 170.933 -45.1539 31.9606 PRESSAVG: 529000 8.09889 11.322 46.0126 11.322 14.5665 22.5819 46.0125 22.5818 -24.6304 GPRESSAVG: 529000 7.87998 11.2095 48.3906 12.523 14.3467 21.5407 43.154 22.7397 -24.1372 TIMING: 529000 CPU: 1528.73, 0.00290035/step Wall: 1528.73, 0.00290035/step, 3.60208 hours remaining, 204.375000 MB of memory in use. ENERGY: 529000 766.4901 2101.5820 1976.8742 121.2451 -206089.9063 17649.3406 0.0000 0.0000 34063.4257 -149410.9487 297.4844 -183474.3745 -149316.3608 299.2953 -149.8409 -113.2382 557873.8513 -0.6550 -0.6369 PRESSURE: 529200 -122.095 19.8898 80.3004 19.8898 -214.439 -24.0676 80.3019 -24.068 -4.38762 GPRESSURE: 529200 -69.1116 12.1439 142.458 7.76661 -206.928 17.4745 -25.1754 34.0163 30.6087 PRESSAVG: 529200 3.32899 -11.2458 37.5842 -11.2458 -41.3425 -10.3261 37.5841 -10.3261 19.4775 GPRESSAVG: 529200 2.07797 -10.7709 35.3297 -11.3268 -40.6315 -8.6922 41.0776 -12.9925 20.0931 TIMING: 529200 CPU: 1529.31, 0.00286252/step Wall: 1529.31, 0.00286252/step, 3.55493 hours remaining, 204.375000 MB of memory in use. ENERGY: 529200 760.9401 2033.2006 1955.0714 120.3113 -206382.3955 17731.7802 0.0000 0.0000 34277.0697 -149504.0222 299.3502 -183781.0919 -149397.0062 299.2868 -113.6406 -81.8105 557029.3722 -6.1787 -6.1535 PRESSURE: 529400 -129.238 -100.988 101.637 -100.987 -53.2371 -11.8566 101.636 -11.8569 -425.398 GPRESSURE: 529400 -123.716 -80.6434 89.6678 -75.0092 -11.1855 -83.0875 108.21 57.8337 -373.255 PRESSAVG: 529400 -25.1616 8.01056 -3.71335 8.01052 -34.209 23.8842 -3.7134 23.884 53.4047 GPRESSAVG: 529400 -24.5592 6.81846 -2.82229 8.74451 -35.2955 22.6634 -5.59648 26.8315 54.093 TIMING: 529400 CPU: 1529.88, 0.00289054/step Wall: 1529.88, 0.00289054/step, 3.58956 hours remaining, 204.375000 MB of memory in use. ENERGY: 529400 732.1989 2174.6062 1984.9256 110.4215 -206352.2225 17483.0622 0.0000 0.0000 34398.1465 -149468.8616 300.4076 -183867.0081 -149367.4339 298.2385 -202.6245 -169.3854 555741.7195 -1.9886 -1.9206 PRESSURE: 529600 -17.5834 22.1778 1.93644 22.1782 108.977 -147.416 1.93639 -147.416 75.9802 GPRESSURE: 529600 65.4689 80.6247 83.3747 8.9941 139.999 -189.705 43.9435 -131.341 57.6798 PRESSAVG: 529600 -59.1017 24.8305 -16.1365 24.8305 -14.4784 23.2527 -16.1364 23.2527 79.2302 GPRESSAVG: 529600 -59.8129 26.282 -16.1623 23.9023 -12.7817 21.4875 -14.5828 24.7361 77.7947 TIMING: 529600 CPU: 1530.46, 0.00287313/step Wall: 1530.46, 0.00287313/step, 3.56778 hours remaining, 204.375000 MB of memory in use. ENERGY: 529600 743.1412 2062.0911 1959.1192 111.4212 -206556.2764 17869.5269 0.0000 0.0000 34411.6410 -149399.3358 300.5254 -183810.9768 -149301.1622 299.6005 55.7915 87.7158 555954.3120 1.8833 1.7334 PRESSURE: 529800 -15.0215 58.4631 -10.8743 58.4619 -86.9909 -178.367 -10.8735 -178.367 99.3334 GPRESSURE: 529800 85.2909 38.6546 -55.6903 85.8712 -112.325 -97.7438 -27.3169 -328.533 108.086 PRESSAVG: 529800 -5.401 -28.303 -58.2348 -28.3031 7.03311 -71.8931 -58.2347 -71.8929 -4.50735 GPRESSAVG: 529800 -4.78082 -28.5951 -57.9026 -27.5223 5.75742 -69.328 -55.8085 -75.8545 -4.14006 TIMING: 529800 CPU: 1531.04, 0.00288511/step Wall: 1531.04, 0.00288511/step, 3.5825 hours remaining, 204.375000 MB of memory in use. ENERGY: 529800 774.6881 2050.8177 1968.8088 116.0578 -205907.1280 17561.8812 0.0000 0.0000 34009.3641 -149425.5104 297.0122 -183434.8745 -149324.3869 298.1068 -0.8930 27.0172 554865.5419 -0.9584 -1.0545 PRESSURE: 530000 -101.931 96.2721 -59.6201 96.2715 -332.181 56.0553 -59.621 56.0563 95.5912 GPRESSURE: 530000 -77.3651 46.8629 -16.0692 136.922 -227.741 -14.2502 -5.96798 28.2483 66.43 PRESSAVG: 530000 66.3706 14.8794 0.218981 14.8794 -77.7881 6.81412 0.218988 6.81419 24.1453 GPRESSAVG: 530000 66.0194 15.2941 0.578638 12.8861 -76.6779 6.30119 -3.78795 8.58122 23.3812 TIMING: 530000 CPU: 1531.61, 0.00288186/step Wall: 1531.61, 0.00288186/step, 3.57831 hours remaining, 204.375000 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: 530000 745.8556 2118.8325 1964.3970 110.5461 -206284.5199 17586.7743 0.0000 0.0000 34227.1999 -149530.9144 298.9146 -183758.1143 -149438.5602 298.2491 -112.8403 -79.5588 556989.5929 4.2426 4.2409 PRESSURE: 530200 231.884 189.583 -95.5459 189.581 78.0297 65.7722 -95.5437 65.7718 133.589 GPRESSURE: 530200 292.762 142.652 -131.511 198.56 114.916 22.1456 -101.684 79.4816 131.678 PRESSAVG: 530200 27.1707 81.6212 28.855 81.6211 -55.1219 -5.79138 28.855 -5.79152 22.9703 GPRESSAVG: 530200 28.1734 80.1736 28.8754 84.0358 -56.793 -7.49349 30.0525 -6.12588 24.0905 TIMING: 530200 CPU: 1532.19, 0.0028718/step Wall: 1532.19, 0.0028718/step, 3.56566 hours remaining, 204.375000 MB of memory in use. ENERGY: 530200 743.5719 2078.1037 1944.7500 130.0189 -206756.1269 18057.9117 0.0000 0.0000 34176.2855 -149625.4850 298.4700 -183801.7705 -149525.8164 298.3457 147.8341 179.7853 557218.2080 -1.6603 -1.5097 PRESSURE: 530400 56.033 -27.9378 -96.827 -27.9368 -196.99 -131.28 -96.8273 -131.28 104.106 GPRESSURE: 530400 49.3207 -108.247 -184.768 48.2984 -157.903 -134.09 -24.8847 -99.2733 170.925 PRESSAVG: 530400 0.437856 38.8953 -56.8933 38.8953 24.7345 14.0445 -56.8932 14.0445 -16.8995 GPRESSAVG: 530400 0.481912 40.046 -57.4758 37.6115 25.7781 13.5558 -57.4949 15.8677 -17.909 TIMING: 530400 CPU: 1532.76, 0.00287498/step Wall: 1532.76, 0.00287498/step, 3.56944 hours remaining, 204.375000 MB of memory in use. ENERGY: 530400 753.9325 2138.7715 1969.4338 123.6121 -206297.6562 17821.0582 0.0000 0.0000 33930.3305 -149560.5176 296.3220 -183490.8481 -149460.4993 298.0938 -12.2837 20.7808 558362.4453 2.7576 2.7837 PRESSURE: 530600 0.706267 121.622 -144.996 121.623 11.0622 10.0297 -144.998 10.0286 -53.6753 GPRESSURE: 530600 -6.21434 65.2993 -175.491 164.243 109.627 -22.7945 -191.566 56.7614 -49.5192 PRESSAVG: 530600 19.1469 4.02451 -28.87 4.02445 5.55909 -6.37898 -28.87 -6.37904 3.16216 GPRESSAVG: 530600 19.0927 1.99443 -29.6139 2.74501 5.12452 -4.17009 -27.8118 -10.0258 3.96382 TIMING: 530600 CPU: 1533.34, 0.00287278/step Wall: 1533.34, 0.00287278/step, 3.56656 hours remaining, 204.375000 MB of memory in use. ENERGY: 530600 714.6239 2125.4774 1973.9845 127.1449 -206275.2990 17656.0419 0.0000 0.0000 34232.1268 -149445.8997 298.9577 -183678.0265 -149343.3331 298.9125 -13.9690 17.9646 558139.9016 9.2894 9.3937 PRESSURE: 530800 -118.64 -54.2985 24.7862 -54.2997 59.2784 -63.5949 24.7848 -63.5935 -99.0636 GPRESSURE: 530800 -46.8254 -25.8827 117.67 2.22515 83.1657 -43.6668 4.45906 -55.333 -119.481 PRESSAVG: 530800 -16.4269 -14.9571 10.9374 -14.9571 5.43619 -43.4612 10.9374 -43.4612 33.9806 GPRESSAVG: 530800 -16.1861 -12.0532 12.3761 -14.067 5.4054 -43.9027 9.23258 -42.6949 33.2828 TIMING: 530800 CPU: 1533.91, 0.00287573/step Wall: 1533.91, 0.00287573/step, 3.57006 hours remaining, 204.375000 MB of memory in use. ENERGY: 530800 746.3112 2194.1490 1954.1335 106.1141 -206778.8013 17983.0377 0.0000 0.0000 34173.3262 -149621.7297 298.4442 -183795.0559 -149526.1610 298.2406 -52.8083 -27.7137 557621.8414 7.6633 7.5007 PRESSURE: 531000 53.3241 -137.428 25.1209 -137.428 196.448 104.192 25.1209 104.192 -47.7823 GPRESSURE: 531000 77.961 -159.126 32.7596 -104.395 226.319 230.651 28.9706 45.913 4.78292 PRESSAVG: 531000 55.5394 17.7364 28.0155 17.7364 -49.74 50.2813 28.0155 50.2813 -32.1881 GPRESSAVG: 531000 54.7859 16.2592 26.7245 18.1954 -49.3511 49.8252 28.2208 50.1708 -31.3767 TIMING: 531000 CPU: 1534.49, 0.00288684/step Wall: 1534.49, 0.00288684/step, 3.58369 hours remaining, 204.375000 MB of memory in use. ENERGY: 531000 703.6793 2123.1230 1958.2075 94.8556 -206517.5044 17918.7828 0.0000 0.0000 34106.7109 -149612.1451 297.8624 -183718.8561 -149519.5738 298.2356 67.3301 103.0208 556760.7551 -8.7963 -8.6473 PRESSURE: 531200 289.767 60.3799 74.8522 60.3805 81.9376 -45.3281 74.8516 -45.3272 127.121 GPRESSURE: 531200 287.072 108.828 104.44 57.3671 107.033 -83.8684 34.0222 -103.453 202.241 PRESSAVG: 531200 -1.25754 1.73176 -2.1365 1.73163 2.34661 -13.6999 -2.13644 -13.6997 2.41478 GPRESSAVG: 531200 -1.95523 2.02213 -1.40174 0.170608 3.27252 -13.235 -0.930464 -12.7895 1.75941 TIMING: 531200 CPU: 1535.07, 0.00288129/step Wall: 1535.07, 0.00288129/step, 3.57664 hours remaining, 204.375000 MB of memory in use. ENERGY: 531200 772.0736 2104.7519 1953.7778 101.0626 -206491.0587 17858.4836 0.0000 0.0000 34173.6190 -149527.2903 298.4467 -183700.9093 -149433.4413 298.8334 166.2751 198.7818 555531.0146 1.1679 1.0256 PRESSURE: 531400 -45.2025 -100.451 87.474 -100.451 -82.7675 -31.2676 87.4718 -31.2671 232.592 GPRESSURE: 531400 22.5833 -51.8482 53.9823 -70.7692 -2.60149 -5.11293 35.0319 -17.2932 175.99 PRESSAVG: 531400 -36.7567 25.9699 45.6823 25.97 -12.7244 -8.7908 45.6824 -8.79085 30.6181 GPRESSAVG: 531400 -36.3301 26.7614 45.0436 27.2865 -14.1292 -9.36185 48.3962 -8.3709 30.5377 TIMING: 531400 CPU: 1535.64, 0.00289484/step Wall: 1535.64, 0.00289484/step, 3.5933 hours remaining, 204.375000 MB of memory in use. ENERGY: 531400 724.3595 2121.6904 1933.1117 121.1643 -206215.3600 17744.5572 0.0000 0.0000 33939.4723 -149631.0047 296.4019 -183570.4770 -149532.4322 298.2757 34.8740 65.3238 555714.7444 -6.2876 -6.6405 PRESSURE: 531600 192.987 12.5888 -18.9545 12.5879 17.2859 -136.677 -18.9546 -136.678 -99.1352 GPRESSURE: 531600 220.906 59.2901 -20.8325 -13.4028 20.091 -160.459 32.9734 -174.426 -46.4882 PRESSAVG: 531600 31.3673 9.64856 14.9054 9.64859 70.8706 -19.0748 14.9054 -19.0748 -33.6642 GPRESSAVG: 531600 31.3483 8.52452 15.528 9.78959 71.0451 -19.595 12.4023 -18.9514 -32.3422 TIMING: 531600 CPU: 1536.22, 0.002893/step Wall: 1536.22, 0.002893/step, 3.59086 hours remaining, 204.375000 MB of memory in use. ENERGY: 531600 668.8001 2062.9261 1973.4422 108.0835 -206284.2220 17652.8623 0.0000 0.0000 34233.8737 -149584.2341 298.9729 -183818.1079 -149484.6999 297.5266 37.0459 64.8363 556038.2561 22.8579 23.3504 PRESSURE: 531800 50.514 111.898 52.7569 111.896 -82.8369 -30.7934 52.7562 -30.7946 143.781 GPRESSURE: 531800 94.3232 125.07 22.6435 98.9853 21.684 -70.8413 137.862 15.549 92.2824 PRESSAVG: 531800 52.4629 -28.6873 25.7031 -28.6872 5.06801 -30.1573 25.7031 -30.1573 -13.6502 GPRESSAVG: 531800 52.9919 -29.6097 25.0816 -27.5329 5.52644 -31.0967 25.5387 -30.2519 -14.5326 TIMING: 531800 CPU: 1536.8, 0.00287761/step Wall: 1536.8, 0.00287761/step, 3.57159 hours remaining, 204.375000 MB of memory in use. ENERGY: 531800 720.8070 2108.8271 1954.3532 112.2598 -206685.3135 17917.4609 0.0000 0.0000 34194.3250 -149677.2804 298.6275 -183871.6054 -149582.7910 297.8424 37.1528 69.4299 555855.2373 14.6269 14.6619 PRESSURE: 532000 -72.2121 99.8811 -68.7754 99.8811 -83.8611 -3.43619 -68.7753 -3.43585 -30.1563 GPRESSURE: 532000 -73.9578 103.501 -53.6959 51.2078 17.1619 64.013 -52.153 -39.3068 -42.6045 PRESSAVG: 532000 -6.49059 -23.1813 5.4414 -23.1813 -23.4209 32.2865 5.44138 32.2865 13.7015 GPRESSAVG: 532000 -5.94105 -21.9701 4.97996 -23.9354 -24.4014 32.7574 6.60877 32.4928 13.8606 TIMING: 532000 CPU: 1537.38, 0.00291182/step Wall: 1537.38, 0.00291182/step, 3.61389 hours remaining, 204.375000 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: 532000 745.3529 2047.8656 1948.7966 122.4468 -206606.5109 17834.6505 0.0000 0.0000 34067.6083 -149839.7902 297.5209 -183907.3985 -149749.2740 297.8598 -62.0765 -33.1334 556020.6203 -5.4033 -5.4939 PRESSURE: 532200 -112.014 52.5674 93.9288 52.5683 -349.285 -52.778 93.9288 -52.7791 0.957598 GPRESSURE: 532200 -115.556 9.78621 92.3911 71.94 -245.733 -64.1885 78.1836 -30.1643 -22.9393 PRESSAVG: 532200 49.1366 -26.883 -31.6815 -26.883 19.4815 43.3285 -31.6814 43.3287 -33.0735 GPRESSAVG: 532200 48.9464 -27.0563 -28.1643 -26.765 20.8708 43.7796 -33.6716 42.8552 -34.202 TIMING: 532200 CPU: 1537.96, 0.00290226/step Wall: 1537.96, 0.00290226/step, 3.60187 hours remaining, 204.375000 MB of memory in use. ENERGY: 532200 732.7704 2094.1828 1960.1031 111.0296 -206433.2858 17581.4743 0.0000 0.0000 34106.5448 -149847.1808 297.8609 -183953.7256 -149749.0150 297.6065 -153.4471 -128.0758 557290.9903 11.8482 11.8717 LDB: ============= START OF LOAD BALANCING ============== 1541.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1541.34 LDB: =============== DONE WITH MIGRATION ================ 1541.35 LDB: ============= START OF LOAD BALANCING ============== 1541.64 LDB: Largest compute 4822 load 0.028321 is 24.0% of average load 0.117886 LDB: Average compute 0.001717 is 1.5% of average load 0.117886 LDB: TIME 1541.64 LOAD: AVG 0.117886 MAX 0.182046 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.273 MB LDB: TIME 1541.64 LOAD: AVG 0.117886 MAX 0.182046 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.473 MB LDB: TIME 1541.64 LOAD: AVG 0.117886 MAX 0.182046 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.473 MB LDB: ============== END OF LOAD BALANCING =============== 1541.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1541.64 PRESSURE: 532400 -166.301 -11.5496 112.256 -11.5506 -121.086 30.3933 112.255 30.3936 -109.075 GPRESSURE: 532400 -125.38 63.0672 84.4969 -27.386 -105.407 65.6415 96.9935 -26.1562 -78.095 PRESSAVG: 532400 -66.429 51.9602 -39.3278 51.9602 64.8398 12.3784 -39.328 12.3783 23.3849 GPRESSAVG: 532400 -66.522 53.5374 -43.0904 49.0272 63.7092 12.5374 -36.7921 12.9023 24.6366 TIMING: 532400 CPU: 1538.55, 0.00293848/step Wall: 1538.55, 0.00293848/step, 3.64665 hours remaining, 206.562500 MB of memory in use. ENERGY: 532400 759.2608 2123.0512 1963.6870 119.5296 -206218.3152 17488.9235 0.0000 0.0000 34009.2466 -149754.6165 297.0112 -183763.8630 -149650.4612 297.3916 -132.1540 -102.9604 554991.9973 7.2652 7.2746 PRESSURE: 532600 113.305 102.26 -68.9771 102.261 4.43466 -51.8532 -68.976 -51.8519 19.5629 GPRESSURE: 532600 107.643 35.8555 15.994 129.316 95.9375 -108.177 -86.0914 -16.9586 26.5776 PRESSAVG: 532600 -28.2505 5.23591 2.18364 5.23595 -28.3411 -36.7716 2.18366 -36.7716 30.7947 GPRESSAVG: 532600 -30.0649 5.47328 1.21465 6.37385 -27.4315 -37.4538 1.96185 -36.5707 31.4597 TIMING: 532600 CPU: 1539.13, 0.0029008/step Wall: 1539.13, 0.0029008/step, 3.59973 hours remaining, 206.562500 MB of memory in use. ENERGY: 532600 725.7323 2119.6312 1963.5662 127.6218 -206562.1432 17845.6921 0.0000 0.0000 34147.7894 -149632.1101 298.2211 -183779.8995 -149526.3052 298.2254 45.7674 76.7193 558142.9850 -8.5990 -8.6789 PRESSURE: 532800 -335.912 -83.334 -94.6255 -83.3344 102.19 233.077 -94.6246 233.076 64.6784 GPRESSURE: 532800 -334.258 -49.9476 -175.848 -43.142 130.376 130.119 25.9112 185.415 139.147 PRESSAVG: 532800 -21.8276 18.8815 -24.7708 18.8816 -60.0072 -2.19082 -24.7708 -2.19083 88.7657 GPRESSAVG: 532800 -19.8222 18.9258 -22.189 19.1589 -60.5643 -2.27039 -26.2957 -1.34716 87.572 TIMING: 532800 CPU: 1539.71, 0.00289119/step Wall: 1539.71, 0.00289119/step, 3.58765 hours remaining, 206.562500 MB of memory in use. ENERGY: 532800 762.3551 2083.9804 1971.1948 103.8367 -206418.9474 17759.3010 0.0000 0.0000 34105.4089 -149632.8705 297.8510 -183738.2794 -149537.2276 297.5716 -56.3478 -21.5785 557825.2033 2.3103 2.3952 PRESSURE: 533000 -144.274 -104.329 119.05 -104.328 -130.632 62.9506 119.049 62.9487 -5.9048 GPRESSURE: 533000 -127.796 -47.7048 65.1035 -82.295 -116.513 118.03 167.718 -3.25983 57.4047 PRESSAVG: 533000 -88.8867 21.5602 -3.40114 21.5601 -14.3788 -21.8852 -3.40115 -21.8851 84.519 GPRESSAVG: 533000 -89.2095 23.0705 -3.78838 18.1945 -14.2321 -21.3785 -3.37874 -23.8547 85.4421 TIMING: 533000 CPU: 1540.29, 0.00289635/step Wall: 1540.29, 0.00289635/step, 3.59389 hours remaining, 206.562500 MB of memory in use. ENERGY: 533000 781.1580 2101.3751 1944.9214 109.7899 -206659.3664 17844.1341 0.0000 0.0000 34406.0044 -149471.9835 300.4762 -183877.9879 -149372.4579 298.2257 -93.6035 -62.3013 557216.3642 -6.2488 -5.9998 PRESSURE: 533200 138.953 70.8556 -48.2208 70.8571 110.703 184.532 -48.2209 184.533 108.571 GPRESSURE: 533200 135.783 121.831 85.5936 -35.6533 139.278 59.1787 -61.0783 281.697 162.274 PRESSAVG: 533200 -20.7156 19.845 4.54472 19.845 6.30612 -64.3193 4.54471 -64.3194 21.3652 GPRESSAVG: 533200 -20.5902 17.5312 4.2595 23.8151 5.15918 -65.4371 4.80047 -63.5211 22.2252 TIMING: 533200 CPU: 1540.86, 0.00288206/step Wall: 1540.86, 0.00288206/step, 3.576 hours remaining, 206.816406 MB of memory in use. ENERGY: 533200 770.7317 2106.2702 1942.2664 115.8082 -206608.4913 18009.2642 0.0000 0.0000 34332.8722 -149331.2783 299.8375 -183664.1505 -149232.7400 299.4050 119.4088 145.7782 555607.4410 2.3185 2.2647 PRESSURE: 533400 -74.8729 -55.7881 -144.895 -55.7899 170.965 -67.9391 -144.896 -67.9384 15.2482 GPRESSURE: 533400 -59.5838 -80.6836 -105.037 -60.3248 229.506 -106.195 -131.152 -37.1838 40.1861 PRESSAVG: 533400 -21.3798 11.9052 19.785 11.9051 45.0252 23.6525 19.785 23.6525 -13.5988 GPRESSAVG: 533400 -21.6668 10.8458 20.1529 11.3417 45.6502 23.2598 21.2615 23.0986 -13.672 TIMING: 533400 CPU: 1541.44, 0.00288828/step Wall: 1541.44, 0.00288828/step, 3.58355 hours remaining, 206.816406 MB of memory in use. ENERGY: 533400 733.0551 2103.5754 1917.1497 101.7903 -206243.0518 17905.3784 0.0000 0.0000 34158.1219 -149323.9811 298.3114 -183482.1030 -149225.1879 299.3047 37.1134 70.0363 558625.5488 3.3489 3.4371 PRESSURE: 533600 -33.8422 32.5535 8.90258 32.5535 43.5677 107.998 8.904 107.997 171.508 GPRESSURE: 533600 39.5729 87.3228 -9.64355 -15.8726 81.9366 93.6791 -35.9238 123.698 159.707 PRESSAVG: 533600 -85.1483 6.17679 1.71603 6.17672 23.7154 -32.9875 1.71606 -32.9875 23.909 GPRESSAVG: 533600 -85.4064 7.26433 2.65148 5.61671 24.602 -32.0981 2.12415 -32.3425 23.6772 TIMING: 533600 CPU: 1542.01, 0.0028674/step Wall: 1542.01, 0.0028674/step, 3.55749 hours remaining, 206.816406 MB of memory in use. ENERGY: 533600 720.4174 2127.6851 1908.8858 104.3164 -206408.9071 17887.1476 0.0000 0.0000 34253.8261 -149406.6288 299.1472 -183660.4549 -149305.2343 299.0156 60.4113 93.7389 557065.5670 -12.5080 -12.3757 PRESSURE: 533800 -68.2186 187.505 114.914 187.504 -209.374 18.6277 114.911 18.6293 -121.922 GPRESSURE: 533800 -58.7286 59.4573 72.5102 126.052 -136.591 54.8509 128.708 56.1797 -114.129 PRESSAVG: 533800 -22.1227 15.6211 -52.7534 15.6211 31.9646 -13.4894 -52.7534 -13.4894 0.848856 GPRESSAVG: 533800 -21.9119 14.8223 -52.5754 15.7793 31.8343 -13.9074 -54.3268 -12.1214 0.6325 TIMING: 533800 CPU: 1542.59, 0.00287664/step Wall: 1542.59, 0.00287664/step, 3.56879 hours remaining, 206.816406 MB of memory in use. ENERGY: 533800 752.8209 2110.4871 1976.4156 113.8101 -206433.0267 17684.0487 0.0000 0.0000 34376.7152 -149418.7291 300.2204 -183795.4443 -149323.4679 298.7243 -133.1715 -103.1497 557286.0280 3.5636 3.5183 PRESSURE: 534000 -43.0925 243.168 -53.1764 243.168 -147.989 45.6647 -53.176 45.6644 48.3972 GPRESSURE: 534000 -36.442 195.502 -78.7611 169.171 -95.806 31.2813 -82.8863 118.772 95.6777 PRESSAVG: 534000 -25.3052 56.598 -19.2693 56.598 46.4277 56.9031 -19.2692 56.9031 13.8795 GPRESSAVG: 534000 -25.5619 57.8824 -20.875 56.8647 45.9551 56.919 -18.3726 52.2015 14.8877 TIMING: 534000 CPU: 1543.17, 0.00290277/step Wall: 1543.17, 0.00290277/step, 3.60105 hours remaining, 206.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 534000 734.7534 2108.1093 1925.7787 107.8000 -205826.4109 17671.0590 0.0000 0.0000 34059.3058 -149219.6048 297.4484 -183278.9106 -149124.4636 298.7397 -47.5614 -12.1901 558883.3934 11.6673 11.7603 PRESSURE: 534200 -48.2419 -104.905 93.8777 -104.905 -179.193 -37.811 93.8781 -37.8102 -63.6169 GPRESSURE: 534200 -60.3997 -101.396 51.9584 -150.207 -67.6342 -24.7521 155.729 -15.5438 -64.9818 PRESSAVG: 534200 37.6488 5.1742 -64.9157 5.17421 -56.916 3.36165 -64.9157 3.3616 11.8436 GPRESSAVG: 534200 38.719 3.92511 -65.3812 4.88595 -56.1128 2.56453 -66.7469 6.85918 9.45491 TIMING: 534200 CPU: 1543.75, 0.00289446/step Wall: 1543.75, 0.00289446/step, 3.59057 hours remaining, 206.816406 MB of memory in use. ENERGY: 534200 730.4368 2041.2766 1946.1800 107.3294 -206103.3679 17685.8292 0.0000 0.0000 34214.6661 -149377.6499 298.8052 -183592.3160 -149280.5338 298.3892 -97.0174 -64.3386 558851.3049 -2.4745 -2.6463 PRESSURE: 534400 161.395 -169.38 -38.781 -169.38 -26.6919 157.93 -38.782 157.93 -156.049 GPRESSURE: 534400 219.207 -153.919 -40.8526 -209.574 -53.7473 158.265 -13.6224 118.147 -102.928 PRESSAVG: 534400 46.6973 3.58194 -44.6866 3.58205 35.0856 35.6177 -44.6866 35.6177 -68.1663 GPRESSAVG: 534400 45.3489 2.97858 -43.9222 3.59042 34.431 36.3053 -45.5379 34.9138 -66.8455 TIMING: 534400 CPU: 1544.32, 0.00286802/step Wall: 1544.32, 0.00286802/step, 3.55761 hours remaining, 206.816406 MB of memory in use. ENERGY: 534400 719.0996 2053.9383 1947.7359 116.2454 -206397.7855 17959.7139 0.0000 0.0000 34276.8043 -149324.2482 299.3479 -183601.0525 -149226.4864 298.4404 -7.1153 20.8439 558803.9544 4.5389 4.3115 PRESSURE: 534600 -78.5985 -30.9981 -121.46 -30.9986 3.33379 44.2634 -121.459 44.2628 197.93 GPRESSURE: 534600 -125.617 -50.7844 -130.731 -42.709 73.9178 72.0603 -103.49 38.7284 264.655 PRESSAVG: 534600 -45.195 -19.3072 6.21274 -19.3073 90.1866 17.8598 6.21274 17.8598 -80.6988 GPRESSAVG: 534600 -44.6309 -19.3718 7.55705 -19.8547 90.4879 17.1503 7.29245 16.8063 -81.9819 TIMING: 534600 CPU: 1544.9, 0.00287208/step Wall: 1544.9, 0.00287208/step, 3.56249 hours remaining, 206.816406 MB of memory in use. ENERGY: 534600 721.7126 2079.5718 1981.4981 125.8681 -206320.3698 17798.7908 0.0000 0.0000 34252.1759 -149360.7526 299.1328 -183612.9285 -149262.9300 298.4865 40.8886 70.9853 558256.3162 -11.9024 -12.0416 PRESSURE: 534800 71.0194 -146.453 209.414 -146.454 50.5862 -125.219 209.414 -125.219 52.216 GPRESSURE: 534800 141.816 -123.494 210.112 -220.414 33.772 -217.635 213.45 -116.399 86.5862 PRESSAVG: 534800 10.5941 45.1767 -23.3169 45.1767 -52.2864 50.2169 -23.3169 50.2169 26.9722 GPRESSAVG: 534800 11.6411 44.8065 -24.1458 44.693 -54.709 50.2358 -23.2118 52.882 27.8831 TIMING: 534800 CPU: 1545.47, 0.00288422/step Wall: 1545.47, 0.00288422/step, 3.57739 hours remaining, 206.816406 MB of memory in use. ENERGY: 534800 705.0201 2105.0221 1939.8867 112.4660 -206193.0535 17732.5692 0.0000 0.0000 34218.8644 -149379.2249 298.8419 -183598.0893 -149283.7931 298.1880 57.9405 87.3914 557364.9161 -4.9067 -5.0616 PRESSURE: 535000 63.3628 96.6562 132.259 96.6572 -96.3433 102.997 132.259 102.996 -116.367 GPRESSURE: 535000 127.171 63.8398 136.601 101.155 -52.8476 74.8363 141.6 5.49702 -122.588 PRESSAVG: 535000 79.9748 25.1726 37.9659 25.1727 14.7522 17.0082 37.9658 17.0082 -55.6009 GPRESSAVG: 535000 78.6887 26.6024 41.5947 26.134 15.2244 17.0484 35.9564 14.1214 -54.2722 TIMING: 535000 CPU: 1546.05, 0.00286489/step Wall: 1546.05, 0.00286489/step, 3.55326 hours remaining, 206.816406 MB of memory in use. ENERGY: 535000 782.2117 2078.5185 1949.4794 108.8557 -205926.3386 17700.1146 0.0000 0.0000 34115.3539 -149191.8049 297.9379 -183307.1587 -149098.4452 299.0641 -49.7824 -16.0883 558951.1833 13.0420 13.2136 PRESSURE: 535200 149.95 -3.48708 31.9543 -3.48677 251.718 14.6521 31.9538 14.6497 104.953 GPRESSURE: 535200 173.977 24.0084 132.062 -59.2642 265.687 9.35637 48.0678 75.13 180.48 PRESSAVG: 535200 23.3391 2.24415 31.1797 2.24404 -34.3578 -20.651 31.1797 -20.6511 28.0876 GPRESSAVG: 535200 22.4196 3.3391 30.8185 1.89241 -33.611 -17.6351 29.854 -22.5409 27.8532 TIMING: 535200 CPU: 1546.62, 0.00285428/step Wall: 1546.62, 0.00285427/step, 3.53993 hours remaining, 206.828125 MB of memory in use. ENERGY: 535200 718.0297 2122.8575 1961.4610 111.2095 -206322.0565 17960.7291 0.0000 0.0000 34212.9476 -149234.8222 298.7902 -183447.7698 -149142.8213 298.8933 168.8738 206.7147 556763.4473 5.6897 5.5539 PRESSURE: 535400 -141.454 5.27955 -101.502 5.28027 -515.828 52.0272 -101.502 52.0274 -26.5673 GPRESSURE: 535400 -141.309 111.019 -137.747 -68.2788 -461.317 13.9638 -57.1306 77.7391 22.2244 PRESSAVG: 535400 73.3644 -8.3145 36.6301 -8.31454 -84.9659 -1.69821 36.6301 -1.69821 23.1046 GPRESSAVG: 535400 74.3636 -7.87593 35.9246 -8.37058 -85.165 -4.0033 39.0022 2.65954 22.4675 TIMING: 535400 CPU: 1547.19, 0.00286867/step Wall: 1547.19, 0.00286867/step, 3.55763 hours remaining, 206.828125 MB of memory in use. ENERGY: 535400 753.3664 2108.3178 1934.6581 110.8479 -205900.0053 17542.2278 0.0000 0.0000 34280.9850 -149169.6022 299.3844 -183450.5872 -149077.4355 299.4493 -227.9499 -193.4672 558339.3464 3.8344 3.8887 PRESSURE: 535600 31.1415 -133.58 2.61708 -133.579 -139.016 6.63661 2.61686 6.63665 98.7 GPRESSURE: 535600 108.609 -175.365 -61.1295 -170.79 -126.339 -5.0862 27.0296 42.8549 101.42 PRESSAVG: 535600 44.7454 -57.7038 -33.2905 -57.7038 -41.6552 -75.5257 -33.2904 -75.5256 -12.2853 GPRESSAVG: 535600 45.0543 -58.6544 -35.7592 -59.453 -41.8688 -75.6362 -32.6213 -77.0564 -12.6503 TIMING: 535600 CPU: 1547.76, 0.00284806/step Wall: 1547.76, 0.00284806/step, 3.53192 hours remaining, 206.828125 MB of memory in use. ENERGY: 535600 759.9400 2146.7724 1921.5678 109.2437 -206156.3184 17862.5047 0.0000 0.0000 34108.2756 -149248.0141 297.8761 -183356.2897 -149157.9061 298.9835 -3.0580 27.8964 558299.0844 -3.0651 -3.1549 PRESSURE: 535800 -37.1961 -128.221 -87.6046 -128.221 67.7932 -56.5029 -87.6042 -56.5026 -107.173 GPRESSURE: 535800 -67.1484 -165.517 -110.214 -56.0589 113.251 -92.5234 -79.4537 -100.176 -23.1455 PRESSAVG: 535800 70.6084 -4.64975 8.53572 -4.64971 -29.0289 24.9132 8.53589 24.9133 -3.30397 GPRESSAVG: 535800 69.4074 -5.63417 8.98831 -3.01659 -28.918 26.0114 10.7894 24.9373 -1.66336 TIMING: 535800 CPU: 1548.34, 0.00287945/step Wall: 1548.34, 0.00287945/step, 3.57068 hours remaining, 206.828125 MB of memory in use. ENERGY: 535800 730.7067 2083.4739 1962.8990 107.9999 -206406.9748 17871.6101 0.0000 0.0000 34262.4767 -149387.8085 299.2227 -183650.2852 -149292.7587 298.8213 -25.5253 7.6525 557514.4203 12.7585 12.9420 PRESSURE: 536000 -69.5774 179.542 -43.1431 179.542 -33.7385 -11.2356 -43.1432 -11.2369 -109.959 GPRESSURE: 536000 -4.46483 235.716 -46.3637 98.9578 -13.6354 -20.3815 -14.3592 2.97364 -107.801 PRESSAVG: 536000 -42.7862 -43.8164 -43.1649 -43.8163 -10.8237 -2.38226 -43.1649 -2.38231 10.2744 GPRESSAVG: 536000 -42.6699 -45.6951 -42.3957 -42.8752 -10.6868 -1.81302 -44.1196 -0.858095 10.4926 TIMING: 536000 CPU: 1548.91, 0.00287712/step Wall: 1548.91, 0.00287712/step, 3.56762 hours remaining, 206.828125 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: 536000 746.9789 2091.3919 1923.3418 108.4423 -206464.8761 17882.0172 0.0000 0.0000 34167.3893 -149545.3146 298.3923 -183712.7039 -149449.9678 298.4533 -71.0917 -41.9670 557478.5382 -14.4451 -14.2880 PRESSURE: 536200 106.65 23.7622 52.1957 23.7637 73.4106 -17.9215 52.195 -17.9199 122.773 GPRESSURE: 536200 158.99 -52.0312 113.36 105.834 64.6453 -29.7913 -66.3723 -26.8635 168.827 PRESSAVG: 536200 85.3837 -12.4131 -21.9414 -12.413 -88.8666 -19.959 -21.9415 -19.9589 -2.20989 GPRESSAVG: 536200 86.1354 -10.7447 -22.2888 -13.548 -88.5069 -19.3615 -23.2717 -18.8439 -2.91583 TIMING: 536200 CPU: 1549.49, 0.00289077/step Wall: 1549.49, 0.00289077/step, 3.58439 hours remaining, 206.828125 MB of memory in use. ENERGY: 536200 686.4112 2184.7167 1897.2436 106.6795 -206497.5807 17860.8378 0.0000 0.0000 34215.9783 -149545.7135 298.8166 -183761.6918 -149451.2535 298.2392 100.9442 130.8207 556781.2369 -1.8976 -1.7624 LDB: ============= START OF LOAD BALANCING ============== 1552.87 LDB: ============== END OF LOAD BALANCING =============== 1552.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1552.88 LDB: ============= START OF LOAD BALANCING ============== 1553.16 LDB: Largest compute 4822 load 0.028261 is 24.0% of average load 0.117886 LDB: Average compute 0.001718 is 1.5% of average load 0.117886 LDB: TIME 1553.17 LOAD: AVG 0.117886 MAX 0.181322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.238 MB LDB: TIME 1553.17 LOAD: AVG 0.117886 MAX 0.181322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.238 MB LDB: TIME 1553.17 LOAD: AVG 0.117886 MAX 0.181322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.238 MB LDB: ============== END OF LOAD BALANCING =============== 1553.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1553.17 PRESSURE: 536400 171.687 -26.1015 128.864 -26.1016 91.4452 99.3664 128.863 99.3651 -73.9669 GPRESSURE: 536400 182.629 -72.6514 11.0616 -67.951 148.791 117.088 175.711 68.9651 -63.9728 PRESSAVG: 536400 31.15 38.6462 15.9737 38.6462 0.529272 21.1075 15.9737 21.1074 -29.048 GPRESSAVG: 536400 30.0092 39.787 15.5602 39.8818 0.276438 20.4609 16.2389 20.0906 -27.924 TIMING: 536400 CPU: 1550.08, 0.00293296/step Wall: 1550.08, 0.00293296/step, 3.63655 hours remaining, 205.839844 MB of memory in use. ENERGY: 536400 715.0018 2099.2210 1939.7299 111.1812 -206301.0384 17686.7928 0.0000 0.0000 34155.7291 -149593.3827 298.2905 -183749.1118 -149495.5572 298.3663 63.0551 89.1489 555342.9160 0.8771 0.7872 PRESSURE: 536600 -235.202 184.767 47.9598 184.768 20.077 58.572 47.9597 58.5733 -173.103 GPRESSURE: 536600 -202.849 254.178 30.3951 173.084 48.3291 76.1966 -49.3404 23.7195 -140.041 PRESSAVG: 536600 -19.4418 19.2368 -4.4358 19.2368 78.7202 43.0834 -4.43581 43.0833 -73.285 GPRESSAVG: 536600 -18.8125 18.9424 -3.50161 18.4813 79.2297 42.6604 -4.62202 41.8102 -73.812 TIMING: 536600 CPU: 1550.65, 0.00287639/step Wall: 1550.65, 0.00287639/step, 3.56625 hours remaining, 205.839844 MB of memory in use. ENERGY: 536600 743.9494 2157.4352 1930.8757 117.6146 -206699.9291 18014.7037 0.0000 0.0000 34262.6235 -149472.7270 299.2240 -183735.3505 -149373.6892 297.8139 -129.4095 -98.1872 558120.3513 -4.6689 -4.4649 PRESSURE: 536800 -75.8792 -8.20079 -144.589 -8.20061 -88.9171 -73.5266 -144.591 -73.5275 96.9776 GPRESSURE: 536800 -64.374 20.2469 -93.997 9.81745 -55.3955 2.40512 -135.998 -114.607 141.811 PRESSAVG: 536800 -44.261 -2.86333 -48.5196 -2.86336 68.477 -1.67527 -48.5196 -1.67515 -22.6645 GPRESSAVG: 536800 -44.6379 -3.09619 -48.2201 -3.86969 68.5484 -1.0015 -49.5367 -2.08451 -22.3515 TIMING: 536800 CPU: 1551.23, 0.00286693/step Wall: 1551.23, 0.00286693/step, 3.55435 hours remaining, 205.839844 MB of memory in use. ENERGY: 536800 739.0569 2127.6901 1907.6382 114.9923 -206413.5597 17651.5140 0.0000 0.0000 34397.4903 -149475.1779 300.4018 -183872.6682 -149380.3746 298.7383 -22.6062 7.3471 556565.2923 0.5172 0.5197 PRESSURE: 537000 -8.93318 16.8622 9.5399 16.862 -212.682 18.7622 9.54043 18.7618 -77.3378 GPRESSURE: 537000 -7.71415 31.9245 -13.0012 -37.739 -172.144 -59.8784 19.0538 46.6059 -15.3499 PRESSAVG: 537000 45.2941 -36.0162 -42.0865 -36.0162 45.4507 18.5402 -42.0866 18.5402 -103.464 GPRESSAVG: 537000 45.6282 -36.8346 -42.6354 -33.3773 44.8378 16.8402 -41.0852 19.6963 -103.131 TIMING: 537000 CPU: 1551.8, 0.00286055/step Wall: 1551.8, 0.00286055/step, 3.54629 hours remaining, 205.839844 MB of memory in use. ENERGY: 537000 759.8546 2109.8097 1916.3708 112.0279 -205800.8103 17614.0848 0.0000 0.0000 34004.9945 -149283.6680 296.9741 -183288.6624 -149190.1102 298.4533 -99.6510 -65.0694 556605.6334 -4.2398 -4.2215 PRESSURE: 537200 -50.7519 -46.0861 40.4123 -46.0871 84.2256 -35.3033 40.4132 -35.3043 -166.174 GPRESSURE: 537200 47.4725 -96.1546 68.2198 -56.7433 105.573 -44.9928 -25.6458 -25.5159 -196.591 PRESSAVG: 537200 73.1235 -34.5102 5.6523 -34.5102 5.44786 3.95324 5.65219 3.95329 -50.2253 GPRESSAVG: 537200 73.9377 -33.43 5.70699 -36.4708 5.21062 4.87747 4.59194 1.76511 -50.792 TIMING: 537200 CPU: 1552.38, 0.00288865/step Wall: 1552.38, 0.00288865/step, 3.58097 hours remaining, 205.839844 MB of memory in use. ENERGY: 537200 707.9040 2078.8754 1958.3596 119.8147 -206025.0645 17562.0200 0.0000 0.0000 34323.7906 -149274.3002 299.7582 -183598.0909 -149174.4563 299.0810 -44.2333 -14.5151 555960.9500 9.4487 9.4521 PRESSURE: 537400 -189.31 100.726 53.1788 100.725 1.46448 157.293 53.1777 157.293 -266.502 GPRESSURE: 537400 -250.199 151.484 73.5306 125.585 45.0028 14.1564 31.303 214.802 -142.718 PRESSAVG: 537400 10.4934 -46.5916 -32.2423 -46.5916 73.3818 -44.3737 -32.2421 -44.3738 -97.1481 GPRESSAVG: 537400 9.17918 -47.5402 -32.149 -45.6561 75.1214 -45.1375 -31.6684 -39.3494 -97.669 TIMING: 537400 CPU: 1552.95, 0.00286959/step Wall: 1552.95, 0.00286959/step, 3.55718 hours remaining, 205.839844 MB of memory in use. ENERGY: 537400 700.9698 2101.0874 1922.6259 101.9602 -205728.5992 17498.5970 0.0000 0.0000 34224.9675 -149178.3914 298.8952 -183403.3589 -149086.5516 298.8842 -151.4489 -115.9716 557443.1221 -4.4243 -4.4561 PRESSURE: 537600 152.606 -53.4419 68.971 -53.442 246.851 -34.2492 68.9717 -34.2491 119.762 GPRESSURE: 537600 165.672 -117.379 47.4308 41.5116 334.36 -74.6226 -4.42822 -83.7503 130.137 PRESSAVG: 537600 -6.76254 -51.576 21.9327 -51.576 81.6872 15.3313 21.9328 15.3313 -39.7315 GPRESSAVG: 537600 -7.44771 -51.7399 20.9868 -52.055 81.7515 17.8008 22.193 11.7822 -38.8229 TIMING: 537600 CPU: 1553.52, 0.00287579/step Wall: 1553.52, 0.00287579/step, 3.5647 hours remaining, 205.910156 MB of memory in use. ENERGY: 537600 746.7349 2068.4718 1936.2008 117.0911 -206461.8850 18040.3197 0.0000 0.0000 34367.1887 -149185.8780 300.1372 -183553.0667 -149092.9862 299.0156 173.0731 210.0564 555302.6836 11.7311 11.8270 PRESSURE: 537800 83.7812 48.1731 -7.52762 48.1722 -88.2111 -33.5436 -7.52732 -33.543 -239.023 GPRESSURE: 537800 125.372 116.203 17.6922 117.795 -54.794 3.13491 -17.8106 56.193 -221.44 PRESSAVG: 537800 37.8796 -54.1392 26.0049 -54.1391 38.1584 -13.4983 26.0049 -13.4983 -50.2303 GPRESSAVG: 537800 38.6939 -51.7253 25.8637 -54.3679 37.0554 -15.1124 26.501 -13.0167 -50.4612 TIMING: 537800 CPU: 1554.1, 0.00287694/step Wall: 1554.1, 0.00287694/step, 3.56597 hours remaining, 205.910156 MB of memory in use. ENERGY: 537800 773.4612 2059.2055 1938.3259 124.4225 -205810.1204 17523.7329 0.0000 0.0000 34190.8703 -149200.1021 298.5974 -183390.9724 -149100.9708 299.6662 -81.1510 -50.2875 555487.8563 8.6026 8.4294 PRESSURE: 538000 88.462 -154.809 -39.965 -154.808 -131.344 23.0034 -39.967 23.0043 199.589 GPRESSURE: 538000 157.284 -147.812 2.43831 -137.958 -168.134 65.9667 -19.8033 35.7207 269.076 PRESSAVG: 538000 50.8227 41.5582 -6.22394 41.5583 -31.1374 -27.2516 -6.2241 -27.2516 -20.5258 GPRESSAVG: 538000 50.7315 39.9918 -6.50056 40.2589 -29.759 -25.9979 -5.20949 -26.5869 -22.2912 TIMING: 538000 CPU: 1554.67, 0.00286674/step Wall: 1554.67, 0.00286674/step, 3.55317 hours remaining, 205.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 538000 743.4141 2064.2457 1947.2619 106.7953 -205567.9957 17540.3110 0.0000 0.0000 34028.4759 -149137.4917 297.1791 -183165.9676 -149033.0564 298.8152 52.2354 86.0756 556344.0991 -0.2801 -0.4396 PRESSURE: 538200 159.985 -19.6345 82.0182 -19.6339 206.47 136.394 82.0186 136.396 -13.595 GPRESSURE: 538200 226.855 -78.7544 109.225 -49.3113 225.035 158.09 5.44504 95.7136 2.31665 PRESSAVG: 538200 50.2403 -50.7736 24.1836 -50.7735 5.64252 17.9237 24.1836 17.9238 -56.2565 GPRESSAVG: 538200 49.0076 -50.6922 23.5187 -51.9318 5.19764 16.2532 23.9823 17.7492 -54.5974 TIMING: 538200 CPU: 1555.25, 0.00287223/step Wall: 1555.25, 0.00287223/step, 3.55982 hours remaining, 205.910156 MB of memory in use. ENERGY: 538200 746.9244 2081.1716 1947.7328 102.1207 -206091.9941 17852.1640 0.0000 0.0000 34336.0721 -149025.8085 299.8655 -183361.8806 -148929.6854 298.9996 117.6199 151.4020 556236.7280 -0.1246 -0.1307 PRESSURE: 538400 -194.43 44.5127 32.3156 44.5123 -23.6705 131.996 32.3163 131.996 -234.095 GPRESSURE: 538400 -148.579 0.534097 -18.0213 50.6646 18.2813 91.7042 7.97979 89.2632 -218.649 PRESSAVG: 538400 2.4938 -43.0746 3.48796 -43.0747 -8.3871 49.9456 3.48797 49.9455 6.60693 GPRESSAVG: 538400 3.79057 -43.8195 4.54706 -41.3363 -9.83709 49.1976 1.99912 49.264 7.03787 TIMING: 538400 CPU: 1555.82, 0.00286176/step Wall: 1555.82, 0.00286176/step, 3.54668 hours remaining, 205.910156 MB of memory in use. ENERGY: 538400 742.5633 2074.5706 1960.7555 119.3552 -205913.2978 17573.1609 0.0000 0.0000 34374.8175 -149068.0747 300.2038 -183442.8922 -148966.0846 300.0784 -150.7320 -116.3153 557763.8077 0.2379 0.3304 PRESSURE: 538600 259.131 -70.554 12.3333 -70.5543 -239.474 1.68649 12.3337 1.68531 117.418 GPRESSURE: 538600 273.578 -19.1813 54.7816 21.5759 -185.749 -70.9939 7.88451 26.5392 135.243 PRESSAVG: 538600 49.6106 3.30459 6.21438 3.30459 -8.49524 -43.7324 6.2145 -43.7325 -28.0953 GPRESSAVG: 538600 49.5159 3.89132 5.04756 3.13498 -7.58589 -46.3849 6.9948 -43.3856 -28.9276 TIMING: 538600 CPU: 1556.39, 0.00286024/step Wall: 1556.39, 0.00286024/step, 3.54463 hours remaining, 205.910156 MB of memory in use. ENERGY: 538600 755.8351 2085.7802 1930.8284 101.6143 -206794.7077 17889.7704 0.0000 0.0000 34949.4747 -149081.4046 305.2225 -184030.8793 -148994.5458 299.8251 45.6917 74.3573 555935.0046 4.3400 4.3341 PRESSURE: 538800 -126.271 -101.525 78.7693 -101.524 93.5013 224.789 78.7696 224.789 -114.008 GPRESSURE: 538800 -99.3552 -124.301 -70.4785 -17.9524 127.31 314.825 176.346 179.713 -72.1123 PRESSAVG: 538800 -80.8507 -54.7928 -0.491499 -54.7927 86.0048 -12.8503 -0.49153 -12.8503 -26.4879 GPRESSAVG: 538800 -80.9722 -55.186 -1.71627 -54.5837 86.1944 -9.10975 0.913213 -12.1472 -26.7841 TIMING: 538800 CPU: 1556.96, 0.0028599/step Wall: 1556.96, 0.0028599/step, 3.54405 hours remaining, 205.910156 MB of memory in use. ENERGY: 538800 726.2162 2076.9331 1941.3130 113.0317 -205901.5852 17507.1304 0.0000 0.0000 34430.6233 -149106.3375 300.6912 -183536.9608 -149009.1444 299.8879 -48.9261 -14.7191 557385.6825 -7.1113 -7.1873 PRESSURE: 539000 -26.9701 -51.2532 34.7995 -51.2536 93.0279 75.4882 34.799 75.4884 77.6835 GPRESSURE: 539000 -21.0149 -99.7449 -63.1498 -90.229 140.363 36.4705 62.8252 41.3808 112.691 PRESSAVG: 539000 -23.9108 -3.76291 46.9568 -3.76288 7.65425 -11.8778 46.9568 -11.8778 47.7812 GPRESSAVG: 539000 -23.6846 -4.17893 48.4093 -1.55402 6.65263 -12.8207 45.9225 -13.1743 48.1973 TIMING: 539000 CPU: 1557.54, 0.00288156/step Wall: 1557.54, 0.00288156/step, 3.57074 hours remaining, 205.910156 MB of memory in use. ENERGY: 539000 738.5192 2054.9357 1986.2914 107.3337 -206115.6434 17835.3560 0.0000 0.0000 34438.1563 -148955.0511 300.7570 -183393.2074 -148860.6932 299.6423 47.9138 77.3465 558053.7066 10.5082 10.3885 PRESSURE: 539200 -200.964 -21.7243 127.266 -21.7239 -161.145 105.643 127.266 105.645 87.2006 GPRESSURE: 539200 -191.366 -19.6607 73.9782 -40.5416 -123.331 136.823 163.617 47.0305 145.395 PRESSAVG: 539200 5.08037 -14.0332 -21.9608 -14.0332 -14.764 15.1735 -21.9608 15.1734 -11.1074 GPRESSAVG: 539200 5.40964 -13.0219 -21.2154 -16.3616 -13.4044 16.054 -21.8647 15.3425 -12.862 TIMING: 539200 CPU: 1558.12, 0.00288446/step Wall: 1558.12, 0.00288446/step, 3.57416 hours remaining, 205.910156 MB of memory in use. ENERGY: 539200 745.6546 2121.7428 1931.9062 108.9562 -206155.2992 17672.1671 0.0000 0.0000 34452.8944 -149121.9780 300.8857 -183574.8723 -149026.7178 299.7314 -91.6359 -56.4340 557279.0573 -6.9304 -6.9522 PRESSURE: 539400 -245.159 -65.413 57.5405 -65.4124 -378.263 190.082 57.54 190.083 131.483 GPRESSURE: 539400 -180.826 63.1742 62.878 -83.8563 -361.639 208.502 -0.573641 104.964 127.712 PRESSAVG: 539400 -16.7799 -14.701 -10.2231 -14.701 -44.9086 13.3212 -10.2231 13.3212 96.0991 GPRESSAVG: 539400 -16.0957 -16.7543 -9.938 -13.533 -47.115 11.7331 -11.2402 13.3599 96.6801 TIMING: 539400 CPU: 1558.69, 0.00287589/step Wall: 1558.69, 0.00287589/step, 3.56339 hours remaining, 205.910156 MB of memory in use. ENERGY: 539400 742.5684 2071.1331 1956.8441 122.7163 -205779.4549 17483.5129 0.0000 0.0000 34147.8401 -149254.8400 298.2216 -183402.6801 -149154.2421 299.4668 -163.9794 -138.2510 557215.6820 11.4702 11.1565 PRESSURE: 539600 -85.3974 -23.8337 -15.1164 -23.8334 -194.973 -21.0308 -15.1151 -21.0317 -6.50743 GPRESSURE: 539600 -56.6193 -59.561 -109.203 -108.35 -200.11 50.2135 -42.7035 -86.3515 65.2876 PRESSAVG: 539600 12.3976 42.1849 -27.0008 42.185 -7.79628 -14.9226 -27.0009 -14.9227 39.1696 GPRESSAVG: 539600 12.6902 43.4169 -27.7665 42.0289 -6.19828 -14.3398 -27.2421 -15.7825 37.4663 TIMING: 539600 CPU: 1559.27, 0.00287939/step Wall: 1559.27, 0.00287939/step, 3.56756 hours remaining, 206.109375 MB of memory in use. ENERGY: 539600 763.2291 2101.6074 1900.3819 103.7814 -205763.8434 17641.5922 0.0000 0.0000 34068.9158 -149184.3356 297.5323 -183253.2513 -149088.9878 299.7036 -95.6259 -63.8139 558320.0724 14.5903 14.6527 PRESSURE: 539800 -264.139 107.07 -49.2119 107.07 -216.094 -134.927 -49.2107 -134.928 -52.5186 GPRESSURE: 539800 -211.499 80.8933 -80.6223 73.9879 -223.325 -126.549 38.9151 -93.6763 -11.0248 PRESSAVG: 539800 -5.00961 12.9689 -37.1382 12.9688 -5.74517 7.66588 -37.1382 7.66582 -12.4351 GPRESSAVG: 539800 -7.09459 13.3773 -37.8572 13.0975 -6.2995 7.08249 -37.0867 9.08654 -9.77353 TIMING: 539800 CPU: 1559.85, 0.00290404/step Wall: 1559.85, 0.00290404/step, 3.59795 hours remaining, 206.109375 MB of memory in use. ENERGY: 539800 767.8417 2112.9890 1947.3531 103.1605 -205909.0910 17499.2188 0.0000 0.0000 34332.3001 -149146.2278 299.8325 -183478.5279 -149042.8338 299.3759 -177.5839 -148.6163 558426.8232 -7.7300 -7.7225 PRESSURE: 540000 169.571 153.665 43.1139 153.665 62.0931 80.545 43.1137 80.546 -211.03 GPRESSURE: 540000 156.855 101.391 43.9344 143.741 62.9098 87.0995 -9.50331 27.5206 -123.479 PRESSAVG: 540000 -34.9426 78.8185 -19.2497 78.8185 -12.9907 31.2921 -19.2499 31.292 -60.1091 GPRESSAVG: 540000 -33.8524 78.2977 -19.4568 79.7167 -12.7191 31.9755 -18.8487 31.21 -61.2319 TIMING: 540000 CPU: 1560.43, 0.00289257/step Wall: 1560.43, 0.00289257/step, 3.58357 hours remaining, 206.109375 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: 540000 680.3145 2132.9843 1945.1793 114.2807 -205944.2562 17715.2119 0.0000 0.0000 34206.4096 -149149.8759 298.7331 -183356.2855 -149044.0461 300.3192 6.8781 32.0951 556526.7352 -36.0141 -35.9345 PRESSURE: 540200 -159.737 88.2279 -42.6022 88.2295 -103.992 -34.0438 -42.6017 -34.0449 40.0148 GPRESSURE: 540200 -186.81 110.971 -72.9416 -13.6842 -51.3818 -80.7134 -125.281 -18.2026 100.891 PRESSAVG: 540200 19.8928 11.9556 -34.2089 11.9558 32.8169 -14.2147 -34.2089 -14.2148 -15.1938 GPRESSAVG: 540200 18.7425 14.2924 -34.3823 9.82892 31.9466 -15.0397 -35.1597 -13.3695 -13.4916 TIMING: 540200 CPU: 1561, 0.00287219/step Wall: 1561, 0.00287219/step, 3.55816 hours remaining, 206.109375 MB of memory in use. ENERGY: 540200 763.0941 2112.4174 1949.4313 107.1414 -206039.9350 17606.0696 0.0000 0.0000 34262.2768 -149239.5044 299.2210 -183501.7811 -149140.1305 299.5797 -74.5714 -45.7667 557374.3253 12.5053 12.3991 LDB: ============= START OF LOAD BALANCING ============== 1564.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1564.39 LDB: =============== DONE WITH MIGRATION ================ 1564.39 LDB: ============= START OF LOAD BALANCING ============== 1564.68 LDB: Largest compute 4822 load 0.030080 is 25.5% of average load 0.117847 LDB: Average compute 0.001721 is 1.5% of average load 0.117847 LDB: TIME 1564.68 LOAD: AVG 0.117847 MAX 0.180595 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.164 MB LDB: TIME 1564.68 LOAD: AVG 0.117847 MAX 0.180595 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.164 MB LDB: TIME 1564.68 LOAD: AVG 0.117847 MAX 0.180595 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1564.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1564.69 PRESSURE: 540400 -67.1495 133.879 37.0727 133.879 187.094 -30.8786 37.0725 -30.8781 154.031 GPRESSURE: 540400 -41.0395 70.9091 117.513 181.12 196.47 49.5286 9.08612 -96.7441 204.601 PRESSAVG: 540400 19.0866 36.1207 -26.2731 36.1206 9.43125 6.25588 -26.2731 6.25591 7.16086 GPRESSAVG: 540400 20.308 36.8701 -25.3745 36.4824 9.4474 7.39226 -25.1902 5.33305 6.01765 TIMING: 540400 CPU: 1561.59, 0.00294341/step Wall: 1561.59, 0.00294341/step, 3.64623 hours remaining, 208.097656 MB of memory in use. ENERGY: 540400 756.0641 2177.2408 1931.3962 112.5225 -206595.1773 18142.8898 0.0000 0.0000 34238.3723 -149236.6916 299.0122 -183475.0639 -149131.4372 299.9718 91.3252 120.0103 557028.4293 11.8929 11.9244 PRESSURE: 540600 120.692 123.847 34.1638 123.848 -47.8157 90.8046 34.1637 90.8061 80.1192 GPRESSURE: 540600 118.296 109.435 -17.391 165.871 41.6058 89.5758 101.666 129.139 98.2151 PRESSAVG: 540600 -22.9907 -2.10064 36.5899 -2.10063 21.7244 -10.5141 36.59 -10.514 26.7899 GPRESSAVG: 540600 -22.8806 -4.82391 35.8442 0.266054 22.0404 -11.7939 38.0358 -10.4586 26.6275 TIMING: 540600 CPU: 1562.17, 0.00288858/step Wall: 1562.17, 0.00288858/step, 3.57815 hours remaining, 208.167969 MB of memory in use. ENERGY: 540600 758.4502 2066.1447 1950.6542 114.8735 -206212.4184 17943.9344 0.0000 0.0000 34143.2845 -149235.0768 298.1818 -183378.3613 -149144.9490 299.3238 50.9985 86.0390 557914.4612 8.5079 8.5958 PRESSURE: 540800 -159.908 137.408 108.64 137.407 -151.968 15.2182 108.641 15.2186 119.717 GPRESSURE: 540800 -97.9607 -0.658114 115.635 192.063 -113.637 -46.0078 48.6875 151.909 130.424 PRESSAVG: 540800 2.39313 -28.4656 41.0046 -28.4655 42.349 -23.1272 41.0044 -23.1271 -56.8381 GPRESSAVG: 540800 2.9842 -27.4025 40.9433 -29.6646 42.4324 -23.254 38.5765 -21.1249 -57.7351 TIMING: 540800 CPU: 1562.75, 0.0028863/step Wall: 1562.75, 0.0028863/step, 3.57516 hours remaining, 208.167969 MB of memory in use. ENERGY: 540800 733.8273 2119.0340 1948.9103 110.4235 -206379.4780 17753.3889 0.0000 0.0000 34330.6584 -149383.2357 299.8182 -183713.8940 -149292.7535 299.1192 -64.0530 -27.0580 557314.0223 -4.0320 -4.1062 PRESSURE: 541000 -3.91991 63.3096 -8.98516 63.3092 226.281 -124.451 -8.98439 -124.451 186.483 GPRESSURE: 541000 42.6235 94.9609 -92.9736 -9.55343 291.428 -88.1578 47.0369 -75.9665 175.209 PRESSAVG: 541000 -74.4293 -49.2128 6.46646 -49.2129 -3.67775 11.6138 6.46637 11.6137 50.022 GPRESSAVG: 541000 -74.9443 -47.7591 8.93046 -51.1228 -3.14233 12.0638 6.00578 10.2766 50.7063 TIMING: 541000 CPU: 1563.32, 0.00287024/step Wall: 1563.32, 0.00287024/step, 3.55511 hours remaining, 208.167969 MB of memory in use. ENERGY: 541000 733.5230 2064.2736 1936.0499 118.8349 -206253.8207 18008.5286 0.0000 0.0000 33937.9067 -149454.7041 296.3882 -183392.6107 -149363.5759 298.5020 136.2816 169.7533 557830.8363 -9.3617 -9.1268 PRESSURE: 541200 -267.888 209.545 48.8388 209.545 -243.823 -68.9385 48.8385 -68.9388 71.5735 GPRESSURE: 541200 -325.979 166.637 65.3023 232.718 -118.267 -61.6103 34.028 -67.9103 95.8557 PRESSAVG: 541200 -35.6113 18.1123 -18.9187 18.1122 -32.9388 48.9135 -18.9187 48.9137 30.6592 GPRESSAVG: 541200 -35.3727 17.1271 -22.3321 18.6738 -31.6389 47.6767 -17.3833 48.4192 29.7723 TIMING: 541200 CPU: 1563.89, 0.00286685/step Wall: 1563.89, 0.00286685/step, 3.55076 hours remaining, 208.167969 MB of memory in use. ENERGY: 541200 796.5919 2077.8582 1959.6154 112.9886 -206135.8047 17785.6712 0.0000 0.0000 34094.5356 -149308.5439 297.7561 -183403.0795 -149209.2523 298.8082 -146.7127 -116.1298 557361.0753 -12.6303 -12.4131 PRESSURE: 541400 -193.231 -205.315 5.81576 -205.316 -137.641 -179.803 5.81629 -179.802 165.206 GPRESSURE: 541400 -105.474 -223.256 -110.379 -196.427 -192.836 -207.093 53.664 -183.302 226.112 PRESSAVG: 541400 5.45681 -5.69113 8.09864 -5.69121 -28.581 -3.44987 8.0986 -3.44988 31.4775 GPRESSAVG: 541400 6.55465 -7.6108 8.60042 -3.07433 -30.6385 -0.720232 7.61269 -5.71248 32.4752 TIMING: 541400 CPU: 1564.47, 0.00286855/step Wall: 1564.47, 0.00286855/step, 3.5527 hours remaining, 208.167969 MB of memory in use. ENERGY: 541400 725.1345 2063.2201 1940.1765 115.7995 -206355.4560 17823.2217 0.0000 0.0000 34298.7693 -149389.1343 299.5397 -183687.9036 -149291.7396 298.5142 -55.2216 -24.0660 557174.6860 2.7844 2.7971 PRESSURE: 541600 -223.239 50.2916 112.079 50.2915 -194.916 8.65165 112.08 8.65245 -28.5141 GPRESSURE: 541600 -163.754 46.3918 38.2694 5.1094 -178.399 5.83998 130.322 3.46582 -11.1926 PRESSAVG: 541600 -18.2362 51.5314 -45.0884 51.5313 -14.4863 5.28207 -45.0885 5.28208 22.8423 GPRESSAVG: 541600 -20.1196 52.288 -45.1358 50.2613 -13.626 4.72654 -44.9836 6.55229 23.3883 TIMING: 541600 CPU: 1565.04, 0.00287722/step Wall: 1565.04, 0.00287722/step, 3.56328 hours remaining, 208.167969 MB of memory in use. ENERGY: 541600 759.7224 2162.9458 1941.2376 105.5619 -206201.3495 17650.3113 0.0000 0.0000 33911.6314 -149669.9391 296.1587 -183581.5705 -149570.8397 297.9042 -148.8895 -117.7819 556046.4290 -3.2934 -3.4525 PRESSURE: 541800 -22.7636 29.697 117.021 29.6974 3.78394 95.4801 117.019 95.4816 -288.487 GPRESSURE: 541800 0.0101314 60.854 117.036 131.909 45.6148 149.576 105.156 109.294 -250.738 PRESSAVG: 541800 -29.4581 104.968 -27.6759 104.968 24.9713 -0.482562 -27.676 -0.482504 17.3903 GPRESSAVG: 541800 -27.7633 107.473 -27.193 105.037 24.4253 -2.32131 -27.0337 1.2752 16.413 TIMING: 541800 CPU: 1565.62, 0.00288218/step Wall: 1565.62, 0.00288218/step, 3.56926 hours remaining, 208.167969 MB of memory in use. ENERGY: 541800 756.9096 2082.3714 1930.3895 122.9243 -206381.8174 17527.6695 0.0000 0.0000 34302.3850 -149659.1680 299.5713 -183961.5530 -149563.3664 298.6405 -102.4889 -68.3709 554060.8918 4.3012 4.3584 PRESSURE: 542000 -130.342 -86.887 6.36238 -86.8873 -146.548 -109.701 6.36276 -109.702 -503.416 GPRESSURE: 542000 -53.3027 -61.2649 29.6468 -49.563 -147.572 -116.176 32.8375 -146.438 -486.58 PRESSAVG: 542000 71.0263 81.1488 19.0439 81.1488 5.85129 -21.4285 19.0439 -21.4285 -56.5169 GPRESSAVG: 542000 69.5885 81.8186 19.3365 78.5572 5.8647 -19.6257 19.9624 -22.3302 -54.7805 TIMING: 542000 CPU: 1566.19, 0.00287056/step Wall: 1566.19, 0.00287056/step, 3.55471 hours remaining, 208.167969 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: 542000 762.7731 2143.5783 1908.5343 106.2714 -205942.5308 17249.5562 0.0000 0.0000 34160.9461 -149610.8713 298.3360 -183771.8175 -149509.3470 297.8851 -260.1018 -229.1519 555638.2375 6.7869 6.8909 PRESSURE: 542200 117.092 -94.6791 38.5834 -94.6791 -183.969 -46.3519 38.5832 -46.3535 -254.889 GPRESSURE: 542200 148.551 -102.479 -1.13738 -147.076 -113.066 -72.8553 16.5778 -12.3333 -251.221 PRESSAVG: 542200 25.0136 -1.47248 -14.9994 -1.47252 -2.70309 -35.0105 -14.9993 -35.0106 7.74239 GPRESSAVG: 542200 26.2743 -1.72272 -14.2959 -0.413456 -2.24573 -34.5456 -17.1189 -34.5125 6.46738 TIMING: 542200 CPU: 1566.77, 0.00287855/step Wall: 1566.77, 0.00287855/step, 3.56444 hours remaining, 208.167969 MB of memory in use. ENERGY: 542200 745.1372 2153.2219 1910.5666 105.5952 -206272.1514 17638.1436 0.0000 0.0000 34011.6146 -149707.8722 297.0319 -183719.4869 -149611.0671 298.9342 -107.2554 -71.9119 556546.6094 10.0176 10.1653 PRESSURE: 542400 -107.235 -48.429 -60.834 -48.4288 -140.95 207.661 -60.8334 207.662 -136.791 GPRESSURE: 542400 -20.5316 -112.912 -135.845 13.2376 -164.232 296.975 -35.865 185.381 -79.8012 PRESSAVG: 542400 31.6489 -21.5368 -6.56477 -21.5367 -49.3679 11.2425 -6.56478 11.2425 -9.84169 GPRESSAVG: 542400 31.0762 -22.7823 -5.73976 -20.5733 -49.3374 10.6119 -7.10739 10.2575 -9.31921 TIMING: 542400 CPU: 1567.34, 0.00286419/step Wall: 1567.34, 0.00286419/step, 3.5465 hours remaining, 208.167969 MB of memory in use. ENERGY: 542400 784.5046 2022.0229 1938.9832 113.1591 -206181.0479 17570.9391 0.0000 0.0000 34149.7198 -149601.7193 298.2380 -183751.4391 -149499.3369 297.9903 -128.3251 -88.1883 555711.0826 -9.1869 -9.1935 PRESSURE: 542600 -204.106 -147.628 8.19675 -147.627 -241.717 -49.4873 8.19598 -49.4861 -60.1015 GPRESSURE: 542600 -196.204 -148.752 -22.8136 -197.515 -230.544 -22.7415 -4.19864 -14.6881 10.6335 PRESSAVG: 542600 65.1367 -26.953 10.1726 -26.9529 -61.9441 3.90266 10.1726 3.90274 -44.0132 GPRESSAVG: 542600 65.0639 -28.5991 10.4165 -27.1909 -62.421 2.59765 12.126 3.95925 -44.0549 TIMING: 542600 CPU: 1567.92, 0.00287866/step Wall: 1567.92, 0.00287866/step, 3.56426 hours remaining, 208.167969 MB of memory in use. ENERGY: 542600 769.2032 2052.1305 1919.7826 110.3018 -206496.2115 17617.2107 0.0000 0.0000 34362.8232 -149664.7594 300.0991 -184027.5827 -149575.5979 298.5949 -168.6416 -138.7046 556185.3352 -13.6069 -13.8040 PRESSURE: 542800 -51.7268 63.4968 81.5129 63.4971 -72.8814 -101.85 81.5132 -101.85 131.575 GPRESSURE: 542800 -55.1574 75.7236 146.056 61.5729 -16.0126 -162.482 62.6001 -24.979 181.059 PRESSAVG: 542800 14.2474 -41.5113 -30.0235 -41.5112 7.57249 -36.3966 -30.0236 -36.3964 9.36096 GPRESSAVG: 542800 15.6347 -40.1891 -29.888 -42.1316 7.57856 -35.9222 -29.7616 -33.7931 7.72585 TIMING: 542800 CPU: 1568.49, 0.00286939/step Wall: 1568.49, 0.00286939/step, 3.55262 hours remaining, 208.371094 MB of memory in use. ENERGY: 542800 760.6075 2138.0020 1938.5522 115.5802 -206770.4159 17905.6853 0.0000 0.0000 34220.1121 -149691.8766 298.8527 -183911.9887 -149598.7959 298.6886 2.3223 36.6295 555151.3404 10.3936 10.3130 PRESSURE: 543000 -351.215 62.3763 111.511 62.3767 -195.145 115.135 111.512 115.138 57.7013 GPRESSURE: 543000 -300.293 36.0669 4.6759 -21.5101 -141.48 125.49 154.511 82.0612 46.452 PRESSAVG: 543000 28.6949 -7.33991 1.54428 -7.33996 -11.1868 -9.79176 1.5443 -9.79188 -47.2329 GPRESSAVG: 543000 28.6055 -11.3086 -0.368731 -4.59386 -12.3111 -8.84331 0.20567 -11.2342 -45.8519 TIMING: 543000 CPU: 1569.07, 0.00287288/step Wall: 1569.07, 0.00287288/step, 3.55679 hours remaining, 208.371094 MB of memory in use. ENERGY: 543000 688.4632 2088.1370 1960.9497 118.7092 -205978.6758 17532.3643 0.0000 0.0000 33980.5959 -149609.4564 296.7610 -183590.0523 -149515.2696 298.1426 -162.8861 -131.7737 557479.8785 -9.9083 -9.8525 PRESSURE: 543200 5.87912 75.9615 17.0818 75.9618 -68.8999 -200.646 17.0825 -200.646 -153.521 GPRESSURE: 543200 34.6616 61.1474 -2.45071 -1.73646 18.7615 -287.346 77.659 -41.4825 -162.949 PRESSAVG: 543200 9.45507 -22.4477 8.68586 -22.4478 19.8413 3.68058 8.68582 3.68059 3.2462 GPRESSAVG: 543200 9.39371 -20.7896 9.58427 -24.123 21.5586 4.16309 9.96863 3.85327 2.26347 TIMING: 543200 CPU: 1569.64, 0.00288609/step Wall: 1569.64, 0.00288608/step, 3.57297 hours remaining, 208.371094 MB of memory in use. ENERGY: 543200 702.0851 2099.6016 1939.2767 97.1813 -206046.9755 17466.7447 0.0000 0.0000 34289.3085 -149452.7776 299.4571 -183742.0861 -149354.4154 298.6598 -72.1804 -36.5087 555938.2275 10.8475 11.0719 PRESSURE: 543400 -59.2131 -134.942 47.2454 -134.942 -442.047 -15.4648 47.2441 -15.4653 -183.433 GPRESSURE: 543400 -44.5563 -254.011 6.7302 -48.0384 -394.248 -32.166 17.1866 -131.362 -161.073 PRESSAVG: 543400 -0.26011 7.00034 26.3168 7.00032 29.2196 -23.591 26.3168 -23.5909 -2.12501 GPRESSAVG: 543400 -1.64984 7.78209 26.8119 7.0187 28.5625 -23.3149 25.5898 -24.2514 -0.156691 TIMING: 543400 CPU: 1570.22, 0.00287487/step Wall: 1570.22, 0.00287487/step, 3.55893 hours remaining, 208.371094 MB of memory in use. ENERGY: 543400 795.4479 2097.0462 1932.8213 103.4588 -206064.3044 17421.7117 0.0000 0.0000 34238.8572 -149474.9613 299.0165 -183713.8186 -149386.4665 298.5230 -228.2312 -199.9592 556920.3555 8.9448 8.9187 PRESSURE: 543600 -44.829 52.7069 -42.9338 52.7059 74.6555 44.0659 -42.9327 44.0661 -92.7318 GPRESSURE: 543600 -26.4324 123.674 -4.91272 59.9302 127.709 111.585 4.11765 5.67404 -56.2033 PRESSAVG: 543600 75.4322 -26.8562 48.7796 -26.8561 -48.091 -36.4506 48.7795 -36.4506 -0.654121 GPRESSAVG: 543600 74.6931 -27.1618 46.4981 -26.4414 -46.6736 -38.2129 48.7906 -36.173 -1.27863 TIMING: 543600 CPU: 1570.8, 0.0028881/step Wall: 1570.8, 0.0028881/step, 3.57515 hours remaining, 208.371094 MB of memory in use. ENERGY: 543600 708.3964 2081.6165 1945.0974 107.9670 -206369.5723 17721.3720 0.0000 0.0000 34138.3167 -149666.8063 298.1384 -183805.1230 -149574.9206 298.5567 -20.9685 15.0243 557875.8968 8.8957 8.9136 PRESSURE: 543800 39.9467 -6.38729 126.301 -6.3884 -106.929 -112.327 126.302 -112.328 -33.849 GPRESSURE: 543800 77.6503 -102.596 92.4374 4.22936 -69.5124 -100.078 181.138 -7.34061 -12.7684 PRESSAVG: 543800 5.36812 20.1237 75.6232 20.1237 -40.1511 37.4917 75.6233 37.4917 0.131764 GPRESSAVG: 543800 6.24731 19.9233 77.8383 20.3549 -41.7462 37.8851 75.9178 37.2069 0.667438 TIMING: 543800 CPU: 1571.38, 0.00290588/step Wall: 1571.38, 0.00290588/step, 3.597 hours remaining, 208.371094 MB of memory in use. ENERGY: 543800 749.7148 2077.1720 1975.7558 125.5852 -206429.5529 17872.3935 0.0000 0.0000 34126.1556 -149502.7760 298.0322 -183628.9316 -149410.0274 297.8917 -33.6106 -1.5435 558777.4574 -11.5504 -11.6105 PRESSURE: 544000 108.274 -13.8287 -55.2541 -13.8299 -106.089 -28.2605 -55.2538 -28.2606 39.3843 GPRESSURE: 544000 184.087 -104.5 14.28 -26.4717 -93.0633 -71.2599 -110.438 16.8117 40.2561 PRESSAVG: 544000 25.6513 -10.342 -23.1767 -10.3421 -89.2384 7.29394 -23.1766 7.29388 31.7678 GPRESSAVG: 544000 25.8524 -9.91771 -22.5497 -11.6714 -88.3178 5.87374 -25.2074 8.83526 30.689 TIMING: 544000 CPU: 1571.96, 0.00290258/step Wall: 1571.96, 0.00290258/step, 3.59275 hours remaining, 208.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 544000 743.2376 2087.7457 1956.5471 122.0533 -206516.7493 17874.5093 0.0000 0.0000 34268.6129 -149464.0434 299.2763 -183732.6563 -149357.5796 298.4833 13.8563 43.7600 556715.3379 -10.6064 -10.5921 PRESSURE: 544200 356.219 -74.527 115.179 -74.5293 40.6166 -34.8965 115.181 -34.8968 157.239 GPRESSURE: 544200 401.759 -64.3422 109.672 -33.6523 50.1334 -30.0057 140.964 -55.4385 189.937 PRESSAVG: 544200 -5.03963 -53.7407 12.7588 -53.7406 4.14611 -1.76359 12.7589 -1.76356 39.3352 GPRESSAVG: 544200 -6.74082 -53.0526 12.4778 -52.5045 4.28326 -0.0359853 13.3986 -4.90258 41.0644 TIMING: 544200 CPU: 1572.54, 0.00289242/step Wall: 1572.54, 0.00289242/step, 3.58002 hours remaining, 208.371094 MB of memory in use. ENERGY: 544200 742.2423 2175.7187 1966.5518 114.5993 -207005.3098 18261.6808 0.0000 0.0000 34290.8832 -149453.6337 299.4708 -183744.5169 -149364.3291 299.1425 184.6918 213.9434 558372.8898 12.8139 12.8689 LDB: ============= START OF LOAD BALANCING ============== 1575.92 LDB: ============== END OF LOAD BALANCING =============== 1575.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1575.92 LDB: ============= START OF LOAD BALANCING ============== 1576.21 LDB: Largest compute 4822 load 0.030396 is 25.8% of average load 0.117848 LDB: Average compute 0.001723 is 1.5% of average load 0.117848 LDB: TIME 1576.21 LOAD: AVG 0.117848 MAX 0.181024 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.602 MB LDB: TIME 1576.21 LOAD: AVG 0.117848 MAX 0.181024 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: TIME 1576.21 LOAD: AVG 0.117848 MAX 0.181024 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: ============== END OF LOAD BALANCING =============== 1576.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1576.22 PRESSURE: 544400 -46.2919 -31.3016 143.532 -31.302 361.395 -69.6689 143.532 -69.6689 -75.5299 GPRESSURE: 544400 24.6554 -25.1715 155.634 -62.342 339.531 -72.2267 112.164 -140.099 -33.3118 PRESSAVG: 544400 -80.3014 6.23117 1.76365 6.23121 0.384188 28.5318 1.76363 28.5318 104.466 GPRESSAVG: 544400 -78.2568 4.34718 -1.29105 6.76685 -0.911028 28.3523 1.8249 31.2734 103.839 TIMING: 544400 CPU: 1573.13, 0.00294859/step Wall: 1573.13, 0.00294859/step, 3.64937 hours remaining, 206.628906 MB of memory in use. ENERGY: 544400 794.8598 2084.6073 1950.6841 122.8020 -206493.9604 18060.1009 0.0000 0.0000 34030.6737 -149450.2326 297.1983 -183480.9063 -149360.9239 298.6216 79.8576 110.2914 558452.6083 8.1830 8.2236 PRESSURE: 544600 -189.323 103.516 302.367 103.516 -159.226 -24.5232 302.367 -24.5226 47.3404 GPRESSURE: 544600 -184.405 193.679 299.211 103.137 -158.455 26.51 242.433 -80.3818 136.523 PRESSAVG: 544600 -11.0258 -0.750607 61.2434 -0.75058 -16.6999 59.5705 61.2434 59.5706 30.8898 GPRESSAVG: 544600 -11.6535 1.60806 63.7616 -3.55611 -17.4721 60.1128 61.6445 58.3822 31.8702 TIMING: 544600 CPU: 1573.71, 0.00290468/step Wall: 1573.71, 0.00290468/step, 3.59486 hours remaining, 206.832031 MB of memory in use. ENERGY: 544600 749.4196 2081.1775 1946.8188 96.6573 -206496.8977 17739.3102 0.0000 0.0000 34275.3748 -149608.1396 299.3354 -183883.5144 -149510.3927 298.9737 -100.4028 -68.7791 557400.4615 1.0547 0.9149 PRESSURE: 544800 -39.1178 -91.8555 -71.6506 -91.8555 -136.383 56.9894 -71.6524 56.9905 -244.659 GPRESSURE: 544800 -56.7773 -38.5948 -26.1524 -50.4783 -75.5154 12.6017 -53.0346 167.574 -196.555 PRESSAVG: 544800 -27.5437 34.8133 34.2026 34.8133 7.50123 19.7062 34.2026 19.7062 24.1252 GPRESSAVG: 544800 -27.5287 36.7458 32.6447 34.9471 7.89711 18.7883 33.8129 20.5677 24.4755 TIMING: 544800 CPU: 1574.29, 0.00291492/step Wall: 1574.29, 0.00291492/step, 3.60737 hours remaining, 206.832031 MB of memory in use. ENERGY: 544800 724.2994 2083.9070 1897.0284 116.3812 -206489.4373 17749.1033 0.0000 0.0000 34228.5374 -149690.1806 298.9263 -183918.7181 -149590.8924 298.8758 -140.0534 -109.6160 558533.9940 1.3609 1.6146 PRESSURE: 545000 -54.2097 -51.3521 73.8437 -51.3529 -345.891 16.5737 73.8431 16.5729 86.1334 GPRESSURE: 545000 -20.1342 -29.5402 130.562 -13.0617 -279.584 -32.7272 57.9718 46.8575 82.9217 PRESSAVG: 545000 -0.0804573 -18.2859 -6.19359 -18.286 -25.6414 30.9288 -6.19351 30.9288 29.6708 GPRESSAVG: 545000 0.841841 -21.0834 -5.68111 -17.5057 -24.895 33.5639 -7.40627 28.9609 28.2205 TIMING: 545000 CPU: 1574.87, 0.00291851/step Wall: 1574.87, 0.00291851/step, 3.61166 hours remaining, 206.843750 MB of memory in use. ENERGY: 545000 729.8171 2135.4109 1946.4294 104.5681 -206567.6879 17834.7632 0.0000 0.0000 34080.4377 -149736.2616 297.6329 -183816.6993 -149645.5884 298.4050 -104.6557 -72.2655 558135.9096 1.3163 1.3891 PRESSURE: 545200 -75.2693 -216.02 107.606 -216.02 29.2271 -52.0578 107.606 -52.0595 28.0196 GPRESSURE: 545200 -47.7809 -224.227 119.039 -213.35 70.3997 -58.2792 72.7747 -43.2217 61.4379 PRESSAVG: 545200 -39.4986 4.11696 48.2293 4.11693 5.60043 -43.07 48.2293 -43.07 10.5566 GPRESSAVG: 545200 -39.8826 6.11868 48.9685 3.32819 6.06782 -45.7231 48.2332 -44.4998 11.0124 TIMING: 545200 CPU: 1575.45, 0.00287897/step Wall: 1575.45, 0.00287897/step, 3.56256 hours remaining, 206.843750 MB of memory in use. ENERGY: 545200 739.4920 2094.5141 1932.8992 98.1216 -206298.6585 17922.8530 0.0000 0.0000 34179.8867 -149330.8918 298.5015 -183510.7786 -149229.6186 298.1783 -6.0075 28.0189 557472.1231 -7.7805 -7.6008 PRESSURE: 545400 476.628 105.081 13.1626 105.082 70.2627 -257.818 13.1636 -257.818 15.4292 GPRESSURE: 545400 458.81 94.4708 -43.5167 170.822 135.369 -227.405 66.7712 -218.28 61.8432 PRESSAVG: 545400 -8.27925 -32.1524 38.5536 -32.1524 50.7002 43.0947 38.5536 43.0948 -28.2015 GPRESSAVG: 545400 -8.41489 -35.4183 36.7386 -29.9683 50.631 43.746 40.4493 46.3273 -27.8027 TIMING: 545400 CPU: 1576.03, 0.0028951/step Wall: 1576.03, 0.0028951/step, 3.58236 hours remaining, 206.843750 MB of memory in use. ENERGY: 545400 764.9653 2047.8565 1955.4948 128.7099 -206729.0299 18241.2952 0.0000 0.0000 34249.2475 -149341.4605 299.1072 -183590.7080 -149245.1704 298.6857 187.4401 218.6740 557189.9633 4.7398 4.8045 PRESSURE: 545600 -193.891 -77.7783 126.496 -77.7783 240.81 -106.625 126.497 -106.626 113.635 GPRESSURE: 545600 -110.952 -62.7717 98.0822 -51.6707 211.528 -128.647 192.133 -114.971 152.976 PRESSAVG: 545600 15.7558 40.2128 31.5074 40.2128 12.6693 -19.2894 31.5075 -19.2893 -11.7535 GPRESSAVG: 545600 16.7261 40.1984 31.3956 39.397 11.1021 -17.3176 32.8206 -20.0329 -11.6983 TIMING: 545600 CPU: 1576.61, 0.00290616/step Wall: 1576.61, 0.00290616/step, 3.59589 hours remaining, 206.843750 MB of memory in use. ENERGY: 545600 764.8843 2054.1343 1937.6370 118.2566 -206270.8240 17821.6662 0.0000 0.0000 34292.2050 -149282.0404 299.4824 -183574.2455 -149177.2132 298.9861 53.5178 84.5173 557335.7144 5.5572 5.3766 PRESSURE: 545800 -121.143 147.844 -84.8017 147.845 -152.476 -59.4 -84.8006 -59.3998 -247.182 GPRESSURE: 545800 -68.2445 196.308 -131.548 119.538 -99.7005 -43.9262 -69.0198 -63.7493 -260.801 PRESSAVG: 545800 24.3636 79.0263 -18.5429 79.0263 -39.9165 33.1705 -18.543 33.1705 24.5115 GPRESSAVG: 545800 22.9083 80.1159 -16.4107 78.6525 -38.7776 32.1776 -21.2583 32.9274 24.5465 TIMING: 545800 CPU: 1577.19, 0.00290956/step Wall: 1577.19, 0.00290956/step, 3.59994 hours remaining, 206.843750 MB of memory in use. ENERGY: 545800 794.4505 2078.0278 1940.4279 102.9501 -205948.5281 17754.2930 0.0000 0.0000 34173.8180 -149104.5608 298.4485 -183278.3788 -149009.7371 299.5791 -173.6001 -142.9153 558858.9147 2.9862 2.8924 PRESSURE: 546000 -3.13431 135.522 -26.6195 135.523 97.6564 51.8044 -26.6186 51.8035 -132.831 GPRESSURE: 546000 -20.3112 118.33 -23.4151 148.924 80.4646 33.2164 -4.59479 35.9822 1.60585 PRESSAVG: 546000 77.8726 128.622 -9.29108 128.622 -4.54923 -7.29345 -9.29116 -7.29352 -66.2522 GPRESSAVG: 546000 77.7766 128.426 -11.4562 129.326 -3.85229 -8.11904 -8.36313 -6.51859 -66.2846 TIMING: 546000 CPU: 1577.77, 0.00288829/step Wall: 1577.77, 0.00288829/step, 3.57346 hours remaining, 206.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 546000 774.1371 2093.3317 1941.7768 116.7856 -206087.9263 17781.2082 0.0000 0.0000 34361.8294 -149018.8575 300.0904 -183380.6870 -148919.6412 299.5598 -12.7695 20.5864 558078.4589 2.3571 2.5466 PRESSURE: 546200 -209.911 -126.295 23.4391 -126.297 -64.0534 17.4156 23.4398 17.4154 -3.40421 GPRESSURE: 546200 -150.037 -140.9 157.624 -75.8893 30.3048 -40.5366 -56.7173 -14.9242 -46.299 PRESSAVG: 546200 1.7958 61.5175 33.1017 61.5174 15.7898 8.30899 33.1017 8.30898 -25.7267 GPRESSAVG: 546200 1.80064 62.9953 34.0474 61.0616 16.646 7.43418 32.6312 9.9724 -26.3869 TIMING: 546200 CPU: 1578.35, 0.00289373/step Wall: 1578.35, 0.00289373/step, 3.58003 hours remaining, 206.843750 MB of memory in use. ENERGY: 546200 721.9498 2082.2917 1952.0576 113.2600 -206052.3721 17622.1250 0.0000 0.0000 34623.1338 -148937.5542 302.3724 -183560.6880 -148845.7266 299.8348 -92.4562 -55.3437 557012.1827 -2.7137 -2.6468 PRESSURE: 546400 76.8117 63.1698 33.2842 63.1691 122.201 -109.442 33.284 -109.441 40.8563 GPRESSURE: 546400 159.555 -31.9559 45.5472 140.807 123.639 -41.4118 -47.3209 -60.0096 52.1095 PRESSAVG: 546400 13.8404 -24.5238 -0.92601 -24.5238 53.0024 49.8483 -0.925976 49.8483 -38.866 GPRESSAVG: 546400 14.8985 -24.9334 -1.01384 -22.9767 51.269 49.9526 -1.6136 48.3857 -38.2563 TIMING: 546400 CPU: 1578.92, 0.00288529/step Wall: 1578.92, 0.00288529/step, 3.56943 hours remaining, 206.898438 MB of memory in use. ENERGY: 546400 743.1227 2085.8759 1980.2392 118.5834 -206042.4643 17852.5548 0.0000 0.0000 34282.3309 -148979.7574 299.3961 -183262.0882 -148878.5934 300.0561 79.9564 111.7678 557654.2289 9.3256 9.3037 PRESSURE: 546600 159.714 0.446453 -148.47 0.445671 -34.4617 -34.5209 -148.471 -34.5205 283.899 GPRESSURE: 546600 167.168 -17.5724 -156.405 15.8247 55.1019 -77.8091 -66.1335 -0.866655 279.572 PRESSAVG: 546600 -3.01789 -22.2692 -21.8883 -22.2692 13.5167 -1.15927 -21.8883 -1.15919 -36.2348 GPRESSAVG: 546600 -4.74643 -22.787 -21.5425 -23.9252 14.868 -0.470646 -22.5331 -1.47483 -35.3186 TIMING: 546600 CPU: 1579.51, 0.00290461/step Wall: 1579.51, 0.00290461/step, 3.59317 hours remaining, 206.898438 MB of memory in use. ENERGY: 546600 780.7440 2078.1482 1951.6142 119.4807 -206056.0751 17853.8877 0.0000 0.0000 34547.3583 -148724.8420 301.7107 -183272.2003 -148628.0868 300.0094 136.3837 167.2807 557964.8758 -8.5787 -8.3990 PRESSURE: 546800 -7.64205 113.448 46.5039 113.448 -361.059 -4.52412 46.5061 -4.5249 -226.091 GPRESSURE: 546800 28.7615 167.742 35.8553 0.831295 -378.323 33.308 79.5146 16.5865 -149.761 PRESSAVG: 546800 -21.2235 -12.9013 -67.6903 -12.9014 -11.4564 49.9489 -67.6903 49.9489 -1.12002 GPRESSAVG: 546800 -19.6441 -13.397 -67.4363 -12.4189 -11.6479 50.8132 -65.0961 49.2633 -2.08743 TIMING: 546800 CPU: 1580.08, 0.00289356/step Wall: 1580.08, 0.00289356/step, 3.57934 hours remaining, 206.898438 MB of memory in use. ENERGY: 546800 746.3464 2013.5321 1941.0905 110.0472 -205306.9954 17328.8903 0.0000 0.0000 34446.4615 -148720.6274 300.8295 -183167.0889 -148620.3970 301.0003 -198.2639 -166.4409 558075.5990 -11.2666 -11.1265 PRESSURE: 547000 85.7719 -100.316 80.3753 -100.315 -253.073 20.8517 80.3763 20.8518 226.185 GPRESSURE: 547000 111.826 -102.659 150.994 -47.3296 -219.298 83.4019 72.8379 82.1591 268.015 PRESSAVG: 547000 13.6688 1.23549 37.1067 1.23552 -48.0851 17.0211 37.1067 17.021 30.8672 GPRESSAVG: 547000 13.3438 2.61058 35.7806 1.44628 -48.4982 15.3709 39.6327 18.6909 30.8573 TIMING: 547000 CPU: 1580.66, 0.00286777/step Wall: 1580.66, 0.00286777/step, 3.54728 hours remaining, 206.898438 MB of memory in use. ENERGY: 547000 716.2269 2077.4962 1957.3039 112.3380 -205746.5967 17751.4269 0.0000 0.0000 34499.6283 -148632.1765 301.2938 -183131.8048 -148528.3640 301.3462 19.6279 53.5145 558187.5164 -1.1831 -1.4323 PRESSURE: 547200 -109.796 51.0691 -57.2942 51.0698 -189.485 -94.8259 -57.2945 -94.8258 -126.034 GPRESSURE: 547200 -67.3476 -41.3217 -120.171 106.738 -211.131 -114.096 -19.9716 -46.7898 -44.2901 PRESSAVG: 547200 33.1934 24.9324 -19.2795 24.9325 -20.7855 33.1927 -19.2795 33.1927 -31.1203 GPRESSAVG: 547200 32.0898 24.704 -19.8071 23.836 -20.232 35.6721 -23.2117 31.1043 -30.6413 TIMING: 547200 CPU: 1581.24, 0.00288897/step Wall: 1581.24, 0.00288897/step, 3.57334 hours remaining, 206.898438 MB of memory in use. ENERGY: 547200 746.4197 2069.5655 1954.2573 106.8557 -205351.5391 17531.5737 0.0000 0.0000 34336.5523 -148606.3150 299.8697 -182942.8672 -148513.3779 300.1803 -141.7718 -107.5897 558590.3574 -6.2374 -6.2612 PRESSURE: 547400 253.671 -30.4467 -37.609 -30.4482 -227.371 -68.3281 -37.6088 -68.3279 35.2093 GPRESSURE: 547400 262.433 -47.4159 -42.0621 -45.6466 -225.31 -2.76232 12.1742 -53.1333 100.745 PRESSAVG: 547400 62.6319 42.0972 31.3119 42.0972 -50.0837 38.9242 31.3119 38.9242 -1.86234 GPRESSAVG: 547400 62.2248 40.8246 32.1373 42.0181 -50.7409 37.3754 33.1559 39.0687 -0.901552 TIMING: 547400 CPU: 1581.82, 0.00290401/step Wall: 1581.82, 0.00290401/step, 3.59178 hours remaining, 206.898438 MB of memory in use. ENERGY: 547400 788.4275 2099.7160 1932.2723 109.0688 -205866.1472 17936.0212 0.0000 0.0000 34457.5984 -148543.0428 300.9268 -183000.6413 -148447.5105 301.4337 20.5029 45.9562 558015.8329 3.5620 3.5274 PRESSURE: 547600 -217.711 30.8689 46.1024 30.8685 -287.561 -19.9796 46.1026 -19.9785 139.96 GPRESSURE: 547600 -191.678 -15.9529 55.9529 120.65 -255.459 -55.7583 17.0595 -37.7496 163.406 PRESSAVG: 547600 42.0446 -31.4975 17.0744 -31.4975 -54.317 -66.72 17.0744 -66.72 47.0425 GPRESSAVG: 547600 42.4377 -33.4553 15.3652 -28.6307 -54.9164 -67.534 15.3526 -66.8462 46.8644 TIMING: 547600 CPU: 1582.39, 0.00288845/step Wall: 1582.39, 0.00288845/step, 3.57237 hours remaining, 206.898438 MB of memory in use. ENERGY: 547600 770.9153 2049.9734 1948.9161 112.5362 -205787.8444 17620.9212 0.0000 0.0000 34638.1326 -148646.4496 302.5034 -183284.5822 -148552.5492 301.1855 -121.7704 -94.5771 558294.4116 11.5900 11.4619 PRESSURE: 547800 -10.9298 -12.229 79.8359 -12.228 203.24 141.374 79.8358 141.372 -17.4675 GPRESSURE: 547800 30.3256 56.1934 19.1387 -29.7953 210.233 46.4086 79.7792 251.198 34.9902 PRESSAVG: 547800 4.73793 8.8674 19.4269 8.86743 -76.3874 35.3196 19.4269 35.3195 86.5346 GPRESSAVG: 547800 4.40086 11.7567 22.5538 6.85165 -76.124 38.0652 19.5078 35.9738 86.2309 TIMING: 547800 CPU: 1582.98, 0.00291585/step Wall: 1582.98, 0.00291585/step, 3.6061 hours remaining, 206.898438 MB of memory in use. ENERGY: 547800 767.2012 2116.2666 1949.0866 108.8124 -205630.2605 17800.8755 0.0000 0.0000 34400.8605 -148487.1578 300.4313 -182888.0182 -148384.0335 301.3358 58.2808 91.8495 558671.3511 4.9617 4.8359 PRESSURE: 548000 92.1171 -98.8597 110.445 -98.86 220.188 -73.6675 110.445 -73.6672 212.298 GPRESSURE: 548000 128.898 -66.1377 27.2144 -103.445 271.592 -22.8087 206.543 -34.5708 212.098 PRESSAVG: 548000 -24.7795 -41.3441 32.9169 -41.344 86.7126 25.5677 32.917 25.5675 -29.8531 GPRESSAVG: 548000 -23.9199 -41.994 32.9741 -41.2526 86.5412 25.0335 34.0078 27.0109 -30.1114 TIMING: 548000 CPU: 1583.56, 0.00289416/step Wall: 1583.56, 0.00289416/step, 3.57912 hours remaining, 206.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 548000 768.4716 2134.5638 1943.9390 120.1010 -206198.5034 18003.1737 0.0000 0.0000 34544.6982 -148683.5561 301.6874 -183228.2543 -148586.5146 300.7838 174.8677 204.1960 557383.4378 10.6933 10.8366 PRESSURE: 548200 -49.2646 -36.7369 -21.6616 -36.7368 34.6593 -294.103 -21.6623 -294.103 23.9261 GPRESSURE: 548200 -71.7017 12.4012 -50.3772 -101.53 70.8478 -333.141 -36.9129 -282.403 95.9746 PRESSAVG: 548200 -58.3933 -24.9183 -17.2692 -24.9184 67.2846 11.0913 -17.2691 11.0913 24.2275 GPRESSAVG: 548200 -59.2973 -24.4214 -18.3092 -25.3546 67.7281 9.69176 -18.0294 9.24856 24.9089 TIMING: 548200 CPU: 1584.13, 0.00288546/step Wall: 1584.13, 0.00288546/step, 3.56819 hours remaining, 206.898438 MB of memory in use. ENERGY: 548200 759.8821 2141.2024 1946.8338 120.3232 -205853.1073 17685.0424 0.0000 0.0000 34514.4240 -148685.3994 301.4230 -183199.8234 -148586.8469 301.6097 3.1070 31.7069 557585.1646 11.0396 11.1132 LDB: ============= START OF LOAD BALANCING ============== 1587.52 LDB: ============== END OF LOAD BALANCING =============== 1587.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1587.52 LDB: ============= START OF LOAD BALANCING ============== 1587.81 LDB: Largest compute 4822 load 0.029966 is 25.4% of average load 0.117864 LDB: Average compute 0.001725 is 1.5% of average load 0.117864 LDB: TIME 1587.81 LOAD: AVG 0.117864 MAX 0.180208 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.539 MB LDB: TIME 1587.81 LOAD: AVG 0.117864 MAX 0.180208 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: TIME 1587.81 LOAD: AVG 0.117864 MAX 0.180208 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1587.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1587.82 PRESSURE: 548400 -158.569 -64.7719 -82.6348 -64.7727 95.5975 154.743 -82.6332 154.743 75.8807 GPRESSURE: 548400 -92.024 -38.1875 -109.58 -51.1057 116.062 142.373 -124.261 168.397 92.5712 PRESSAVG: 548400 0.71084 -3.05383 -25.669 -3.05388 43.3057 -22.8152 -25.669 -22.8153 -20.5723 GPRESSAVG: 548400 0.902012 -1.97926 -26.1847 -2.83152 42.0555 -23.7582 -25.8026 -20.4304 -19.9731 TIMING: 548400 CPU: 1584.72, 0.00295215/step Wall: 1584.72, 0.00295216/step, 3.6505 hours remaining, 207.464844 MB of memory in use. ENERGY: 548400 743.4527 2100.4990 1958.1321 112.0260 -205862.4109 17822.8280 0.0000 0.0000 34275.3934 -148850.0797 299.3355 -183125.4731 -148758.7487 300.8028 4.3031 38.8699 557576.2868 7.8147 7.6615 PRESSURE: 548600 55.5902 77.3919 2.57639 77.3918 250.727 90.047 2.57524 90.0467 -47.6734 GPRESSURE: 548600 53.1742 -0.526439 6.99886 102.702 313.17 59.427 3.976 79.6459 -6.77156 PRESSAVG: 548600 -10.4631 -4.75844 -28.5968 -4.75856 10.7294 35.1146 -28.5969 35.1146 -23.6534 GPRESSAVG: 548600 -11.0887 -5.08632 -26.6795 -4.69988 12.4129 37.9341 -27.5509 33.2153 -24.4183 TIMING: 548600 CPU: 1585.3, 0.00289142/step Wall: 1585.3, 0.00289142/step, 3.57524 hours remaining, 207.464844 MB of memory in use. ENERGY: 548600 745.0414 2155.4012 1953.9917 115.9533 -206062.5858 17958.7201 0.0000 0.0000 34370.3047 -148763.1733 300.1644 -183133.4780 -148663.7458 300.7429 86.2145 119.8574 557406.6723 -7.7957 -7.6980 PRESSURE: 548800 142.535 38.2627 -39.8235 38.2624 -122.83 -23.7597 -39.8229 -23.76 158.302 GPRESSURE: 548800 189.561 -10.9367 -38.1386 1.95044 -46.8176 -69.6429 -110.262 39.2603 118.926 PRESSAVG: 548800 -34.8157 -23.0047 -8.79015 -23.0047 44.4739 15.7869 -8.79011 15.7869 -10.1018 GPRESSAVG: 548800 -34.7657 -23.7923 -10.5356 -22.5579 43.1053 15.1357 -8.74771 16.9047 -9.42289 TIMING: 548800 CPU: 1585.88, 0.00288825/step Wall: 1585.88, 0.00288825/step, 3.57116 hours remaining, 207.464844 MB of memory in use. ENERGY: 548800 742.2802 2159.1682 1941.6705 119.5091 -206342.7571 17931.3044 0.0000 0.0000 34599.4329 -148849.3917 302.1655 -183448.8246 -148753.6783 300.6735 59.3357 87.2229 556795.7283 -0.1478 -0.3611 PRESSURE: 549000 -104.707 33.2968 -60.451 33.2984 23.9257 3.69797 -60.4505 3.69665 -364.363 GPRESSURE: 549000 -66.2861 -14.4815 -53.2183 14.8699 58.488 34.487 39.169 35.0531 -338.456 PRESSAVG: 549000 55.0194 28.2286 -44.5785 28.2287 -51.3565 -39.383 -44.5785 -39.3831 -8.47396 GPRESSAVG: 549000 54.7468 29.4902 -44.7695 25.4415 -51.037 -39.0975 -44.5327 -41.3981 -8.30961 TIMING: 549000 CPU: 1586.46, 0.00287953/step Wall: 1586.46, 0.00287953/step, 3.56022 hours remaining, 207.464844 MB of memory in use. ENERGY: 549000 764.7149 2092.6958 1978.6380 109.7193 -205908.4328 17761.7438 0.0000 0.0000 34444.2628 -148756.6582 300.8103 -183200.9210 -148659.1850 300.6978 -148.3813 -115.4181 558341.0030 -1.6037 -1.5333 PRESSURE: 549200 44.9017 62.9409 -240.748 62.9409 -22.3854 37.7212 -240.747 37.7213 -11.9233 GPRESSURE: 549200 77.3438 87.1563 -236.505 90.737 -56.6927 82.6995 -208.059 -69.9038 85.9462 PRESSAVG: 549200 -5.1386 40.9974 10.6911 40.9972 -28.6036 -38.8075 10.691 -38.8075 43.5039 GPRESSAVG: 549200 -5.61047 39.8238 11.8767 42.5181 -28.0888 -39.9513 10.6779 -36.7241 43.4379 TIMING: 549200 CPU: 1587.03, 0.00287125/step Wall: 1587.03, 0.00287125/step, 3.54982 hours remaining, 207.464844 MB of memory in use. ENERGY: 549200 728.5823 2104.2301 1979.2874 112.8634 -206070.4444 17832.7766 0.0000 0.0000 34424.2912 -148888.4134 300.6359 -183312.7047 -148787.8584 300.3910 3.5310 35.5324 557123.3811 3.2539 3.2462 PRESSURE: 549400 -362.044 -25.394 1.22174 -25.3941 -269.838 22.6045 1.22406 22.6053 -285.242 GPRESSURE: 549400 -334.452 33.4716 -92.59 -124.75 -237.076 41.7347 -30.4334 15.6938 -248.5 PRESSAVG: 549400 23.6044 36.9086 -28.8395 36.9086 -1.59038 -31.6532 -28.8394 -31.6532 -27.9172 GPRESSAVG: 549400 23.9318 36.1523 -29.4435 35.2403 -1.14047 -30.5716 -28.3172 -33.7913 -28.5767 TIMING: 549400 CPU: 1587.61, 0.00288809/step Wall: 1587.61, 0.00288809/step, 3.57048 hours remaining, 207.464844 MB of memory in use. ENERGY: 549400 770.4373 2107.9962 1953.9040 121.2880 -205501.8442 17299.1784 0.0000 0.0000 34306.3751 -148942.6652 299.6061 -183249.0403 -148835.9802 299.8314 -305.7078 -273.3428 558328.4064 -1.9677 -1.9285 PRESSURE: 549600 -242.541 -27.1533 63.1524 -27.1542 177.279 -116.476 63.1533 -116.476 -259.382 GPRESSURE: 549600 -226.836 111.228 62.5554 -97.7391 213.643 -36.4985 58.8582 -178.843 -209.281 PRESSAVG: 549600 -2.44029 -23.1098 -17.2702 -23.1098 -6.39758 -62.7829 -17.27 -62.7829 8.3377 GPRESSAVG: 549600 -1.04259 -20.5636 -17.1558 -21.7318 -7.6282 -64.5185 -17.9467 -61.1244 8.68727 TIMING: 549600 CPU: 1588.18, 0.00288167/step Wall: 1588.18, 0.00288167/step, 3.56239 hours remaining, 207.464844 MB of memory in use. ENERGY: 549600 776.2119 2086.8247 1962.6487 129.7910 -205554.9835 17571.1891 0.0000 0.0000 34170.6198 -148857.6983 298.4205 -183028.3181 -148766.2132 299.2261 -108.2147 -74.1580 558301.6691 -0.1667 0.0055 PRESSURE: 549800 -281.777 88.0344 91.8804 88.0346 -69.3147 -38.1031 91.8804 -38.102 -221.142 GPRESSURE: 549800 -244 136.068 14.4629 64.2785 -40.8811 -75.3717 75.1191 -37.5976 -201.066 PRESSAVG: 549800 -33.8648 53.7656 3.96138 53.7656 -37.093 -20.5883 3.96135 -20.5883 33.001 GPRESSAVG: 549800 -34.848 51.4035 4.08328 54.0154 -36.3394 -18.9227 3.35123 -21.6755 33.2598 TIMING: 549800 CPU: 1588.76, 0.00290565/step Wall: 1588.76, 0.00290565/step, 3.59187 hours remaining, 207.464844 MB of memory in use. ENERGY: 549800 755.9157 2116.2288 1967.2591 113.1433 -205753.7763 17562.1198 0.0000 0.0000 34487.1873 -148751.9222 301.1852 -183239.1095 -148661.2717 300.5600 -190.7443 -161.9824 558294.3194 -12.6523 -12.6425 PRESSURE: 550000 127.599 -19.9949 17.297 -19.9945 189.849 -29.2064 17.2983 -29.2071 -108.987 GPRESSURE: 550000 173.8 -17.7537 13.7968 48.9525 268.433 23.8044 -25.8626 -49.479 -135.333 PRESSAVG: 550000 -9.2335 4.63089 -14.0196 4.63096 -0.58588 -12.3217 -14.0195 -12.3217 10.9247 GPRESSAVG: 550000 -7.78495 7.07704 -14.0361 3.99873 -0.500609 -13.3911 -14.1498 -11.7587 9.79063 TIMING: 550000 CPU: 1589.35, 0.00290412/step Wall: 1589.35, 0.00290412/step, 3.58981 hours remaining, 207.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 550000 761.7331 2105.5844 1968.0484 130.2804 -206135.6928 17822.8722 0.0000 0.0000 34616.1694 -148731.0049 302.3116 -183347.1743 -148636.3087 300.4048 69.4869 102.3002 558163.5594 0.3684 0.5017 PRESSURE: 550200 244.329 78.6226 59.6485 78.6221 64.7936 107.36 59.6487 107.36 -71.7877 GPRESSURE: 550200 293.243 84.3342 9.5155 95.1208 78.3781 144.139 101.776 57.1065 -34.2192 PRESSAVG: 550200 50.9287 -19.9584 29.1977 -19.9584 58.2482 32.0732 29.1977 32.0731 -71.4607 GPRESSAVG: 550200 50.1908 -21.9997 29.9496 -19.7596 57.8822 31.8913 30.6703 31.2401 -70.6135 TIMING: 550200 CPU: 1589.92, 0.00289664/step Wall: 1589.92, 0.00289664/step, 3.58041 hours remaining, 207.535156 MB of memory in use. ENERGY: 550200 775.3031 2162.7356 1932.4532 118.5933 -206252.5582 17758.9798 0.0000 0.0000 34798.2094 -148706.2838 303.9014 -183504.4932 -148606.5481 300.7902 79.1116 112.4672 557559.1867 12.5721 12.4865 PRESSURE: 550400 20.7518 162.43 -93.0363 162.431 -367.65 77.7053 -93.0376 77.7045 -345.863 GPRESSURE: 550400 36.0945 256.265 -30.7781 130.494 -349.659 202.446 -125.11 40.3698 -280.437 PRESSAVG: 550400 -7.60658 18.0367 27.8096 18.0367 6.04115 4.68887 27.8094 4.68887 2.69284 GPRESSAVG: 550400 -7.18214 18.7781 24.511 18.0063 6.64799 5.15186 30.1468 6.49845 2.53278 TIMING: 550400 CPU: 1590.5, 0.00288263/step Wall: 1590.5, 0.00288263/step, 3.56294 hours remaining, 207.535156 MB of memory in use. ENERGY: 550400 742.8446 2170.3569 1949.5556 106.4983 -205723.0757 17532.3866 0.0000 0.0000 34473.5235 -148747.9103 301.0659 -183221.4338 -148649.1629 300.7555 -230.9203 -198.0004 559324.2480 0.3758 0.6662 PRESSURE: 550600 37.4981 -221.797 -160.375 -221.797 -92.5342 181.236 -160.376 181.235 186.708 GPRESSURE: 550600 -12.9464 -222.419 -187.639 -208.744 -0.732444 162.492 -169.007 96.5884 234.968 PRESSAVG: 550600 -44.854 19.1335 2.55253 19.1335 -42.6169 45.5656 2.55265 45.5656 81.2575 GPRESSAVG: 550600 -44.2655 20.1258 5.55736 19.2683 -43.1302 45.6356 1.63984 42.7194 81.7847 TIMING: 550600 CPU: 1591.08, 0.00289304/step Wall: 1591.08, 0.00289304/step, 3.57563 hours remaining, 207.535156 MB of memory in use. ENERGY: 550600 771.0182 2089.0497 1928.7551 110.5973 -206235.9356 18016.1916 0.0000 0.0000 34373.0739 -148947.2499 300.1886 -183320.3238 -148851.7371 300.4281 43.8905 73.7631 559335.8721 -2.0711 -1.8703 PRESSURE: 550800 -62.6835 -51.4789 -57.2399 -51.4788 -264.122 38.8324 -57.2402 38.8326 -181.944 GPRESSURE: 550800 -42.9871 -2.95688 -24.4697 -79.8158 -241.137 -4.99282 -24.4966 54.6784 -131.127 PRESSAVG: 550800 -30.1081 3.71598 -55.7082 3.716 -24.9186 -15.6376 -55.7081 -15.6375 67.4674 GPRESSAVG: 550800 -30.8362 1.3602 -55.1133 3.77194 -24.8406 -17.4976 -57.4053 -13.8903 68.4288 TIMING: 550800 CPU: 1591.65, 0.00286616/step Wall: 1591.65, 0.00286616/step, 3.54225 hours remaining, 207.535156 MB of memory in use. ENERGY: 550800 728.5347 2137.6538 1944.2332 117.6471 -205832.6016 17559.8799 0.0000 0.0000 34302.0723 -149042.5805 299.5685 -183344.6529 -148948.7956 299.8109 -169.5830 -138.4173 558642.3865 4.1469 4.2507 PRESSURE: 551000 -61.7113 -36.5697 -57.359 -36.5687 13.7928 31.4908 -57.3585 31.4909 -180.01 GPRESSURE: 551000 -63.2991 -45.5775 32.2799 -38.5914 42.7794 -2.12917 -72.9677 75.6668 -124.48 PRESSAVG: 551000 26.8711 -19.6229 12.6644 -19.6228 0.225656 52.4781 12.6644 52.4781 -17.6994 GPRESSAVG: 551000 26.2782 -18.9978 10.9971 -19.6784 2.78062 52.325 13.1072 53.6175 -18.8787 TIMING: 551000 CPU: 1592.23, 0.00286141/step Wall: 1592.23, 0.00286141/step, 3.53623 hours remaining, 207.535156 MB of memory in use. ENERGY: 551000 758.5683 2094.9066 1917.0668 122.1753 -206177.6802 17735.5247 0.0000 0.0000 34352.4816 -149196.9570 300.0088 -183549.4386 -149101.3841 299.2265 -75.9761 -48.3331 558554.3921 3.1324 3.3934 PRESSURE: 551200 -260.226 -70.2178 14.3106 -70.217 76.1033 -42.4021 14.3118 -42.4028 51.8031 GPRESSURE: 551200 -279.214 -34.5841 101.499 -40.915 129.872 -49.8408 36.7181 -33.2886 111.679 PRESSAVG: 551200 -14.1489 -9.75479 6.35555 -9.75465 20.1335 -36.9763 6.35553 -36.9763 1.29897 GPRESSAVG: 551200 -13.3749 -11.3403 8.55807 -6.79463 19.7432 -36.5628 6.59121 -37.7374 1.10156 TIMING: 551200 CPU: 1592.79, 0.00284653/step Wall: 1592.79, 0.00284653/step, 3.51768 hours remaining, 207.535156 MB of memory in use. ENERGY: 551200 763.4371 2045.4736 1969.3709 116.6527 -206067.5574 17836.0859 0.0000 0.0000 34146.8688 -149189.6685 298.2131 -183336.5373 -149097.5260 299.2545 -44.1064 -12.5543 558813.2855 2.4279 2.4900 PRESSURE: 551400 -240.671 -147.101 21.1855 -147.101 -223.593 37.1827 21.1857 37.1809 -220.387 GPRESSURE: 551400 -185.232 -118.104 19.0001 -202.723 -155.242 -24.4574 34.5903 126.444 -242.349 PRESSAVG: 551400 -53.518 22.2509 1.22902 22.251 -7.63039 -68.9765 1.22905 -68.9766 71.6186 GPRESSAVG: 551400 -51.822 24.8676 0.964933 20.626 -9.84647 -67.6532 -0.644571 -71.1519 71.7021 TIMING: 551400 CPU: 1593.37, 0.00288586/step Wall: 1593.37, 0.00288586/step, 3.56612 hours remaining, 207.535156 MB of memory in use. ENERGY: 551400 716.0981 2018.1703 1950.8321 114.1186 -206068.8181 17517.1565 0.0000 0.0000 34514.8332 -149237.6092 301.4266 -183752.4424 -149126.3487 299.3634 -228.2171 -194.2746 557341.8642 3.4901 3.3446 PRESSURE: 551600 53.5194 140.792 2.71369 140.792 49.7955 46.0599 2.71389 46.0585 402.575 GPRESSURE: 551600 75.3155 176.556 49.8751 173.454 80.1474 6.29245 29.4301 169.616 440.675 PRESSAVG: 551600 16.4964 -19.5315 5.84475 -19.5314 -22.0861 -31.4968 5.84473 -31.4969 15.2685 GPRESSAVG: 551600 15.5563 -20.3682 3.35822 -17.5729 -21.4375 -34.788 8.41207 -29.4478 16.0502 TIMING: 551600 CPU: 1593.95, 0.00288892/step Wall: 1593.95, 0.00288892/step, 3.56974 hours remaining, 207.535156 MB of memory in use. ENERGY: 551600 740.9254 2038.1985 1962.0885 112.1956 -206432.6328 18097.8050 0.0000 0.0000 34290.7670 -149190.6528 299.4698 -183481.4198 -149099.7472 298.9742 168.6299 198.7125 555796.6723 3.2263 3.3897 PRESSURE: 551800 -356.259 -41.2597 -60.8619 -41.2602 -301.812 70.7313 -60.8625 70.7307 -1.86118 GPRESSURE: 551800 -329.293 -37.1743 -60.5936 -28.4707 -303.456 67.3049 -98.52 -1.48648 72.9545 PRESSAVG: 551800 -18.2516 -20.894 -61.0197 -20.894 -22.3751 -19.7134 -61.0198 -19.7135 59.1671 GPRESSAVG: 551800 -16.842 -21.4814 -59.0382 -21.8307 -21.8331 -17.8136 -63.6438 -19.7625 57.9791 TIMING: 551800 CPU: 1594.53, 0.00289725/step Wall: 1594.53, 0.00289725/step, 3.57988 hours remaining, 207.535156 MB of memory in use. ENERGY: 551800 754.3848 2061.4397 1959.8781 113.0780 -205576.8883 17326.1609 0.0000 0.0000 34171.0570 -149190.8898 298.4243 -183361.9468 -149096.0678 299.4358 -219.9775 -186.5982 557578.8586 6.1802 6.4347 PRESSURE: 552000 -123.161 160.142 -12.6619 160.143 -116.786 85.6369 -12.6615 85.6365 51.7589 GPRESSURE: 552000 -27.7028 164.936 44.4234 196.651 -93.9669 85.143 -5.38488 50.4812 29.6495 PRESSAVG: 552000 1.82539 -20.1684 -8.48673 -20.1684 -48.8991 -26.3712 -8.4868 -26.3712 65.163 GPRESSAVG: 552000 0.757331 -19.635 -10.0564 -21.5149 -49.5553 -25.7878 -5.56894 -26.4901 67.0765 TIMING: 552000 CPU: 1595.1, 0.00286496/step Wall: 1595.1, 0.00286496/step, 3.53981 hours remaining, 207.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 552000 734.7166 2121.0519 1941.9771 118.1080 -206293.1435 17686.2548 0.0000 0.0000 34347.9504 -149343.0846 299.9692 -183691.0350 -149242.8464 299.2355 -62.7295 -30.6734 557181.9448 6.0298 6.0928 PRESSURE: 552200 -7.76829 79.74 -99.8006 79.7384 -46.5105 -97.7416 -99.8017 -97.7415 -194.285 GPRESSURE: 552200 8.24367 82.1666 -48.3539 116.21 -25.2847 -122.79 -188.155 -54.4775 -125.723 PRESSAVG: 552200 -7.09626 18.9971 -56.9275 18.9972 -11.334 10.5613 -56.9275 10.5613 18.6934 GPRESSAVG: 552200 -5.6901 19.4109 -56.3505 18.1784 -11.5177 9.74454 -57.597 10.5278 17.7225 TIMING: 552200 CPU: 1595.68, 0.00287397/step Wall: 1595.68, 0.00287397/step, 3.55078 hours remaining, 207.535156 MB of memory in use. ENERGY: 552200 748.6647 2057.0016 1943.9533 111.2104 -206077.6504 17734.8561 0.0000 0.0000 34317.7236 -149164.2407 299.7052 -183481.9643 -149066.2475 299.4816 -82.8545 -47.5881 557295.1718 0.0877 0.1716 LDB: ============= START OF LOAD BALANCING ============== 1599.06 LDB: ============== END OF LOAD BALANCING =============== 1599.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1599.06 LDB: ============= START OF LOAD BALANCING ============== 1599.35 LDB: Largest compute 4822 load 0.029974 is 25.4% of average load 0.117887 LDB: Average compute 0.001713 is 1.5% of average load 0.117887 LDB: TIME 1599.36 LOAD: AVG 0.117887 MAX 0.178708 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.629 MB LDB: TIME 1599.36 LOAD: AVG 0.117887 MAX 0.178708 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.629 MB LDB: TIME 1599.36 LOAD: AVG 0.117887 MAX 0.178708 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1599.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1599.36 PRESSURE: 552400 -99.755 89.3463 -24.943 89.346 -183.006 -119.973 -24.9442 -119.974 -246.036 GPRESSURE: 552400 -100.455 38.5497 19.1557 154.601 -136.379 -147.603 -157.91 -151.424 -207.59 PRESSAVG: 552400 -57.21 1.13259 -17.696 1.13259 -0.686539 -38.5127 -17.6961 -38.5128 -12.3411 GPRESSAVG: 552400 -58.2858 0.57132 -16.8818 1.99136 -0.469507 -36.5313 -18.9982 -40.8595 -11.6662 TIMING: 552400 CPU: 1596.27, 0.00295096/step Wall: 1596.27, 0.00295096/step, 3.64574 hours remaining, 204.628906 MB of memory in use. ENERGY: 552400 755.6976 2092.9340 1947.5422 115.2569 -205772.2356 17443.6639 0.0000 0.0000 34250.1937 -149166.9475 299.1155 -183417.1412 -149066.3861 299.6172 -176.2656 -148.1413 556879.6566 -23.4125 -23.4738 PRESSURE: 552600 -271.103 197.334 117.457 197.334 -102.972 82.9678 117.457 82.9689 -511.292 GPRESSURE: 552600 -157.493 211.707 103.067 124.091 -129.955 87.4238 118.057 -32.4683 -512.51 PRESSAVG: 552600 61.5216 29.5571 -48.5719 29.557 -32.8618 -19.2361 -48.5718 -19.2362 -24.2031 GPRESSAVG: 552600 61.7322 30.433 -48.5097 30.4058 -32.9761 -21.1774 -49.5591 -16.6856 -25.0854 TIMING: 552600 CPU: 1596.85, 0.002893/step Wall: 1596.85, 0.002893/step, 3.57398 hours remaining, 204.886719 MB of memory in use. ENERGY: 552600 790.1529 2184.6807 1925.7895 111.5993 -205873.7508 17383.3829 0.0000 0.0000 34345.0545 -149133.0911 299.9439 -183478.1456 -149035.3593 299.7344 -295.1223 -266.6527 558565.7898 1.4855 1.2236 PRESSURE: 552800 -238.934 -220.817 164.323 -220.819 19.3213 -48.0145 164.323 -48.0132 116.272 GPRESSURE: 552800 -182.033 -151.265 153.209 -191.691 55.0045 44.492 174.584 -69.7869 117.237 PRESSAVG: 552800 42.123 60.2845 -23.7643 60.2845 -28.2381 -15.2923 -23.7643 -15.2924 -16.0151 GPRESSAVG: 552800 42.9328 61.1514 -24.4871 62.9191 -27.1193 -13.9844 -19.9957 -15.6908 -17.6101 TIMING: 552800 CPU: 1597.43, 0.00290965/step Wall: 1597.43, 0.00290965/step, 3.59439 hours remaining, 204.886719 MB of memory in use. ENERGY: 552800 753.0282 2116.0270 1944.5762 113.6764 -205906.6467 17709.7323 0.0000 0.0000 34277.7400 -148991.8665 299.3560 -183269.6065 -148898.1392 299.6748 -34.4467 -3.2636 557935.5208 -0.7101 -0.5989 PRESSURE: 553000 -129.309 99.3145 134.353 99.3154 -135.671 145.732 134.352 145.73 104.49 GPRESSURE: 553000 -20.2481 16.7532 141.009 102.276 -129.452 150.465 159.305 118.086 95.8886 PRESSAVG: 553000 9.79885 -1.81357 -70.3925 -1.81354 -39.2883 -23.8249 -70.3925 -23.825 48.4826 GPRESSAVG: 553000 10.957 -1.90819 -70.0952 -4.40289 -40.9405 -25.2507 -71.2497 -23.0476 49.5399 TIMING: 553000 CPU: 1598.01, 0.0029156/step Wall: 1598.01, 0.0029156/step, 3.60157 hours remaining, 204.886719 MB of memory in use. ENERGY: 553000 713.9516 2139.0675 1964.6977 119.0250 -206249.4532 17841.3047 0.0000 0.0000 34401.5499 -149069.8567 300.4373 -183471.4066 -148975.7003 299.3837 -53.4968 -17.9373 559193.6074 6.3311 6.5188 PRESSURE: 553200 -191.491 -34.1583 -60.6002 -34.1573 -155.649 -94.7242 -60.6012 -94.726 -37.6862 GPRESSURE: 553200 -157.737 72.8138 -98.2846 -37.8144 -124.104 -117.073 -76.1434 -96.512 0.547589 PRESSAVG: 553200 -38.8692 -2.21499 -3.85281 -2.21496 10.3095 -60.6336 -3.85279 -60.6336 2.83343 GPRESSAVG: 553200 -41.7643 -4.73095 -3.27103 -0.567844 12.3778 -61.1131 -4.32897 -59.7763 4.2513 TIMING: 553200 CPU: 1598.59, 0.00289981/step Wall: 1598.59, 0.00289981/step, 3.58191 hours remaining, 204.886719 MB of memory in use. ENERGY: 553200 784.1185 2129.1621 1974.7526 114.2893 -205905.6115 17657.3238 0.0000 0.0000 34233.7145 -149012.2506 298.9715 -183245.9652 -148926.5334 299.4138 -128.2755 -93.7647 559286.2140 -8.5754 -8.3784 PRESSURE: 553400 -55.8542 82.4167 80.4357 82.4167 -120.473 95.955 80.4359 95.9553 -84.3477 GPRESSURE: 553400 -72.1608 7.86293 91.9872 112.638 -83.666 164.294 126.083 101.196 -18.2807 PRESSAVG: 553400 -43.5499 -87.9112 -9.88758 -87.9112 88.5294 -74.1672 -9.88749 -74.1672 -9.80154 GPRESSAVG: 553400 -42.7498 -86.3287 -9.28012 -88.966 88.0103 -73.09 -10.3662 -75.6517 -9.71617 TIMING: 553400 CPU: 1599.17, 0.00290265/step Wall: 1599.17, 0.00290264/step, 3.58525 hours remaining, 204.886719 MB of memory in use. ENERGY: 553400 755.6781 2064.9618 1938.9596 114.1336 -206179.9856 17950.5109 0.0000 0.0000 34304.2463 -149051.4955 299.5875 -183355.7418 -148954.9453 299.7191 -86.8917 -58.0358 559570.8308 11.7260 11.8481 PRESSURE: 553600 -95.6483 -44.006 -73.3485 -44.0049 202.881 52.8187 -73.3478 52.8182 64.6524 GPRESSURE: 553600 -40.2804 -12.4356 -20.4731 51.348 255.63 -50.5143 -118.075 30.9216 45.0094 PRESSAVG: 553600 -55.6891 8.60766 -21.316 8.60758 11.3248 21.8675 -21.316 21.8676 25.8807 GPRESSAVG: 553600 -55.0076 8.54384 -22.2681 8.37023 11.5963 21.5592 -21.0922 20.401 25.1757 TIMING: 553600 CPU: 1599.75, 0.0029108/step Wall: 1599.75, 0.0029108/step, 3.59516 hours remaining, 204.941406 MB of memory in use. ENERGY: 553600 766.1801 2103.9239 1955.3639 105.1932 -206646.4518 17968.6667 0.0000 0.0000 34579.8708 -149167.2532 301.9946 -183747.1240 -149073.7995 299.6773 57.2951 86.7862 556979.2762 -6.1612 -6.0786 PRESSURE: 553800 -142.425 -119.114 -130.548 -119.113 -40.5856 -165.842 -130.549 -165.843 334.338 GPRESSURE: 553800 -104.271 -218.069 -69.6941 -105.097 -1.35672 -136.694 -195.896 -172.09 344.89 PRESSAVG: 553800 28.9981 14.949 -32.149 14.9491 28.9018 -4.58474 -32.149 -4.58463 -45.249 GPRESSAVG: 553800 27.6615 16.1808 -30.5329 13.1798 29.5874 -4.3268 -31.7642 -3.70885 -44.055 TIMING: 553800 CPU: 1600.33, 0.00289139/step Wall: 1600.33, 0.00289139/step, 3.57103 hours remaining, 204.941406 MB of memory in use. ENERGY: 553800 738.8453 2141.2615 1958.5180 115.7820 -205946.1276 17790.4529 0.0000 0.0000 34102.6971 -149098.5708 297.8273 -183201.2679 -149008.1981 299.6133 50.4424 79.7541 558485.3590 4.2170 4.3980 PRESSURE: 554000 -91.7665 86.1739 148.137 86.1736 -173.491 -22.1405 148.137 -22.14 -105.094 GPRESSURE: 554000 -110.948 110.783 208.04 92.0267 -147.112 -34.6653 68.5925 -15.335 -19.0406 PRESSAVG: 554000 -34.6386 36.5576 -15.4222 36.5577 -67.1331 46.8771 -15.4222 46.877 57.1529 GPRESSAVG: 554000 -34.5137 35.7469 -15.3168 38.2697 -68.3324 45.7015 -14.7627 48.4687 58.5176 TIMING: 554000 CPU: 1600.92, 0.00293021/step Wall: 1600.92, 0.00293021/step, 3.61881 hours remaining, 204.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 554000 742.2982 2131.4961 1960.1121 108.8344 -205659.5259 17508.1853 0.0000 0.0000 34233.7237 -148974.8761 298.9716 -183208.5999 -148874.2633 298.8916 -123.4505 -92.3671 559026.1876 -14.8729 -14.7761 PRESSURE: 554200 -109.533 -16.8352 97.3329 -16.8353 -220.361 -44.9661 97.332 -44.967 -250.288 GPRESSURE: 554200 -103.742 20.8692 100.395 43.3312 -167.352 -66.0191 56.6503 14.6587 -215.753 PRESSAVG: 554200 88.6575 14.0068 52.9335 14.0068 -34.841 0.924415 52.9334 0.924482 15.6406 GPRESSAVG: 554200 89.132 12.1129 50.9034 13.5237 -34.5422 1.51734 53.5566 1.27664 14.4262 TIMING: 554200 CPU: 1601.49, 0.00288476/step Wall: 1601.49, 0.00288476/step, 3.56252 hours remaining, 204.941406 MB of memory in use. ENERGY: 554200 726.6949 2133.8036 1934.1186 118.6926 -205715.7809 17491.2583 0.0000 0.0000 34223.9885 -149087.2244 298.8866 -183311.2129 -148981.1959 299.5368 -193.3942 -162.2823 557713.5481 23.1524 23.0053 PRESSURE: 554400 -19.0211 -193.378 97.9251 -193.377 159.246 -28.1996 97.9262 -28.1989 92.1074 GPRESSURE: 554400 -0.073152 -191.703 114.454 -142.687 188.212 -50.6299 187.278 -58.9209 142.537 PRESSAVG: 554400 -31.2127 -26.2316 -10.7586 -26.2316 0.0697053 12.2291 -10.7587 12.2292 8.27159 GPRESSAVG: 554400 -31.637 -24.1407 -12.0046 -26.4029 0.348838 13.5305 -10.0859 9.97521 8.27931 TIMING: 554400 CPU: 1602.07, 0.00287663/step Wall: 1602.07, 0.00287664/step, 3.55233 hours remaining, 204.941406 MB of memory in use. ENERGY: 554400 771.8047 2111.0543 1908.0686 113.5323 -206293.3930 17917.0314 0.0000 0.0000 34365.4168 -149106.4848 300.1217 -183471.9016 -149008.3473 299.2080 77.4441 110.2252 557057.9783 -7.6238 -7.6696 PRESSURE: 554600 -270.168 28.9078 106.85 28.9074 -205.551 3.86075 106.85 3.85945 -16.6887 GPRESSURE: 554600 -248.741 26.9312 73.2241 35.0116 -165.578 -77.2409 73.709 -5.0326 16.7348 PRESSAVG: 554600 -91.0371 -14.4635 11.3684 -14.4634 47.5535 -63.5082 11.3685 -63.5083 39.983 GPRESSAVG: 554600 -90.3191 -14.1237 14.2081 -13.1659 48.3275 -61.6678 8.50192 -62.6797 38.697 TIMING: 554600 CPU: 1602.64, 0.00287324/step Wall: 1602.64, 0.00287324/step, 3.54797 hours remaining, 204.941406 MB of memory in use. ENERGY: 554600 761.5393 2136.6060 1944.5138 107.0353 -205848.6289 17583.1017 0.0000 0.0000 34256.7270 -149059.1058 299.1725 -183315.8328 -148958.7162 298.7534 -164.1356 -132.5283 557584.1588 -1.1669 -1.0982 PRESSURE: 554800 35.7706 -30.3504 -55.5426 -30.3499 -201.353 50.1962 -55.5425 50.194 43.5404 GPRESSURE: 554800 47.0246 70.0763 -116.764 -134.657 -141.085 62.1045 -1.57748 15.8672 67.5816 PRESSAVG: 554800 -17.6462 32.4427 -28.821 32.4428 15.6442 0.79469 -28.821 0.794594 45.0643 GPRESSAVG: 554800 -17.7925 33.0447 -31.2018 31.6388 14.8692 -0.887741 -25.6775 1.30688 45.9121 TIMING: 554800 CPU: 1603.22, 0.00288654/step Wall: 1603.22, 0.00288654/step, 3.56424 hours remaining, 204.941406 MB of memory in use. ENERGY: 554800 750.8299 2105.4468 1939.6411 114.1756 -205616.6302 17511.7557 0.0000 0.0000 34240.6574 -148954.1237 299.0322 -183194.7811 -148856.4407 298.9437 -40.6808 -8.8261 557335.7502 14.3541 14.3296 PRESSURE: 555000 369.406 165.409 -101.827 165.409 353.275 -228.429 -101.828 -228.428 -146.914 GPRESSURE: 555000 422.326 170.265 -109.201 99.388 392.448 -205.787 -5.38957 -175.835 -144.446 PRESSAVG: 555000 20.5463 1.94081 -41.4946 1.94089 29.9848 -56.8472 -41.4945 -56.8473 -19.5423 GPRESSAVG: 555000 19.8764 -0.98384 -39.3831 3.58419 31.0813 -56.8787 -42.2336 -57.8939 -19.8029 TIMING: 555000 CPU: 1603.81, 0.00293171/step Wall: 1603.81, 0.00293171/step, 3.61985 hours remaining, 204.941406 MB of memory in use. ENERGY: 555000 735.9315 2081.1956 1952.5233 122.2883 -206254.8277 18077.5807 0.0000 0.0000 34232.7065 -149052.6017 298.9627 -183285.3082 -148951.0482 299.0805 191.9224 223.4429 556443.8458 10.3296 10.3849 PRESSURE: 555200 -195.748 -13.3333 0.777943 -13.3343 -144.428 56.6928 0.779237 56.6921 27.8762 GPRESSURE: 555200 -163.3 1.08822 37.1562 -3.79546 -72.4728 93.3447 64.8649 7.0547 28.1092 PRESSAVG: 555200 25.8109 37.8266 20.9225 37.8267 75.9025 -57.1957 20.9225 -57.1958 -100.357 GPRESSAVG: 555200 26.8406 39.7592 21.3751 37.2059 74.8596 -57.5423 20.4816 -58.0073 -100.156 TIMING: 555200 CPU: 1604.39, 0.00292769/step Wall: 1604.39, 0.00292769/step, 3.61472 hours remaining, 204.941406 MB of memory in use. ENERGY: 555200 736.2412 2140.3536 1945.6914 108.2507 -206108.2802 17805.6771 0.0000 0.0000 34270.8478 -149101.2184 299.2958 -183372.0662 -149004.0253 299.5616 -104.0998 -69.2211 558828.8936 0.4522 0.5147 PRESSURE: 555400 -128.553 37.1947 -148.446 37.1944 -24.0332 -27.2638 -148.446 -27.2622 -221.146 GPRESSURE: 555400 -111.898 3.73238 -143.277 88.2179 50.626 -94.511 -140.152 38.3857 -220.9 PRESSAVG: 555400 57.7835 15.9513 4.35502 15.9513 -41.483 -6.75254 4.35514 -6.75259 13.6421 GPRESSAVG: 555400 57.2417 16.9476 3.11814 14.5075 -40.6774 -9.78689 3.28622 -3.25701 13.5385 TIMING: 555400 CPU: 1604.98, 0.00291635/step Wall: 1604.98, 0.00291635/step, 3.60056 hours remaining, 204.941406 MB of memory in use. ENERGY: 555400 746.3836 2127.0944 1964.5385 112.1641 -205924.8555 17622.3855 0.0000 0.0000 34358.8062 -148993.4833 300.0640 -183352.2894 -148899.2938 299.7690 -124.5775 -94.0574 559965.1477 9.9809 10.0343 PRESSURE: 555600 23.2217 -108.987 -0.937768 -108.988 -22.128 27.3989 -0.937964 27.3985 -136.206 GPRESSURE: 555600 58.0319 -120.449 29.4959 -59.8552 -7.45142 90.1595 -17.0822 -31.4657 -92.703 PRESSAVG: 555600 34.4057 -27.9943 -1.25759 -27.9943 0.230379 -3.46932 -1.25758 -3.46926 24.7329 GPRESSAVG: 555600 33.5424 -30.96 -1.89443 -26.9227 0.125806 -0.711413 2.62348 -5.62945 25.4492 TIMING: 555600 CPU: 1605.56, 0.00293906/step Wall: 1605.56, 0.00293906/step, 3.62844 hours remaining, 204.941406 MB of memory in use. ENERGY: 555600 744.3146 2146.3377 1947.3633 123.1200 -206137.6469 17825.4820 0.0000 0.0000 34287.6198 -149063.4094 299.4423 -183351.0292 -148967.8358 299.2058 -45.0374 -14.0408 560318.4332 19.7897 19.7058 PRESSURE: 555800 -82.7007 76.6049 -0.560278 76.6051 -124.684 125.035 -0.560935 125.035 -199.232 GPRESSURE: 555800 -52.4987 174.608 7.02941 -18.0084 -90.2987 108.189 -26.7003 139.97 -180.657 PRESSAVG: 555800 -14.5338 -9.72449 51.4455 -9.72442 -88.1981 -51.1286 51.4454 -51.1285 66.3673 GPRESSAVG: 555800 -13.8619 -7.4573 55.1682 -10.974 -88.6755 -52.1187 49.0197 -48.838 65.7548 TIMING: 555800 CPU: 1606.15, 0.00290868/step Wall: 1606.15, 0.00290868/step, 3.59076 hours remaining, 204.941406 MB of memory in use. ENERGY: 555800 772.6848 2130.8902 1956.7501 107.0061 -205896.6424 17601.3719 0.0000 0.0000 34341.5143 -148986.4249 299.9130 -183327.9392 -148895.9291 299.5892 -135.5390 -107.8182 558142.6889 -12.1216 -12.2609 PRESSURE: 556000 172.301 -10.3 186.211 -10.2989 -93.1783 -5.78149 186.211 -5.78013 182.688 GPRESSURE: 556000 187.296 -9.38647 64.8792 -17.9739 -22.8348 -8.36078 242.32 -49.1142 193.318 PRESSAVG: 556000 15.1075 -32.2475 41.1454 -32.2475 -31.8968 -3.13956 41.1454 -3.1396 32.0273 GPRESSAVG: 556000 14.6833 -33.1394 37.4437 -32.5354 -31.9222 -2.48364 40.1596 -5.99101 32.2594 TIMING: 556000 CPU: 1606.73, 0.00289821/step Wall: 1606.73, 0.00289821/step, 3.57767 hours remaining, 204.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 556000 752.5813 2061.4360 1963.7051 119.3976 -206536.4439 18089.4815 0.0000 0.0000 34506.5609 -149043.2815 301.3544 -183549.8424 -148949.8845 299.6011 87.2702 119.2598 557350.9092 5.0793 5.0068 PRESSURE: 556200 53.5561 -84.7531 82.0805 -84.7528 -81.2459 -103.594 82.0806 -103.594 6.18668 GPRESSURE: 556200 86.9929 -156.438 59.2208 -1.33981 -109.181 -117.29 167.953 -103.465 95.1668 PRESSAVG: 556200 22.5668 -54.2022 24.3723 -54.2022 -53.7232 0.270559 24.3724 0.270485 -8.42971 GPRESSAVG: 556200 23.9665 -55.3037 25.6491 -53.1481 -54.7303 0.24322 24.9245 1.49066 -8.41574 TIMING: 556200 CPU: 1607.31, 0.00291843/step Wall: 1607.31, 0.00291843/step, 3.60248 hours remaining, 204.941406 MB of memory in use. ENERGY: 556200 754.6750 2104.7143 1951.3772 105.5962 -206093.2277 17877.7691 0.0000 0.0000 34150.0638 -149149.0320 298.2410 -183299.0958 -149055.2511 299.4590 -7.1677 24.3262 558668.5538 -13.1954 -13.0598 LDB: ============= START OF LOAD BALANCING ============== 1610.7 LDB: ============== END OF LOAD BALANCING =============== 1610.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1610.7 LDB: ============= START OF LOAD BALANCING ============== 1610.99 LDB: Largest compute 4822 load 0.030244 is 25.7% of average load 0.117861 LDB: Average compute 0.001720 is 1.5% of average load 0.117861 LDB: TIME 1610.99 LOAD: AVG 0.117861 MAX 0.180322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.715 MB LDB: TIME 1610.99 LOAD: AVG 0.117861 MAX 0.180322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.758 MB LDB: TIME 1610.99 LOAD: AVG 0.117861 MAX 0.180322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1611 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1611 PRESSURE: 556400 -374.433 66.8161 65.3802 66.8168 -233.911 -143.253 65.3817 -143.254 -284.854 GPRESSURE: 556400 -325.643 37.3603 -67.2628 119.212 -223.79 -176.662 59.0003 -159.984 -245.25 PRESSAVG: 556400 -16.6315 -28.146 -43.2818 -28.146 -6.25486 20.9824 -43.2818 20.9825 49.4886 GPRESSAVG: 556400 -17.8991 -26.2817 -40.8601 -28.069 -5.54985 20.4655 -43.408 20.6746 49.714 TIMING: 556400 CPU: 1607.9, 0.00297471/step Wall: 1607.9, 0.00297471/step, 3.67178 hours remaining, 205.644531 MB of memory in use. ENERGY: 556400 761.1919 2097.3709 1978.2246 116.9322 -205745.2495 17478.7158 0.0000 0.0000 34195.3052 -149117.5088 298.6361 -183312.8141 -149023.8915 298.7071 -297.7329 -264.8943 560062.9981 8.8674 8.7550 PRESSURE: 556600 -92.2489 -20.7723 142.151 -20.7715 94.6047 118.978 142.151 118.979 -226.175 GPRESSURE: 556600 -61.5933 2.62943 177.109 -27.4801 137.888 49.4004 139.433 161.65 -215.42 PRESSAVG: 556600 -1.02683 55.2576 5.75095 55.2577 27.8551 11.0767 5.75096 11.0766 -4.3359 GPRESSAVG: 556600 -0.503587 54.0665 3.53763 55.806 27.9171 9.67117 6.00639 12.0008 -4.68096 TIMING: 556600 CPU: 1608.48, 0.00289749/step Wall: 1608.48, 0.00289749/step, 3.5763 hours remaining, 205.644531 MB of memory in use. ENERGY: 556600 745.6264 2086.8671 1949.4794 116.3048 -205965.4592 17756.4027 0.0000 0.0000 34211.7458 -149099.0330 298.7797 -183310.7788 -149006.8735 298.8562 -74.6065 -46.3751 560109.9885 7.4975 7.5775 PRESSURE: 556800 -140.411 1.76641 88.5551 1.76659 87.2457 -53.4091 88.5555 -53.4077 -50.3374 GPRESSURE: 556800 -107.307 31.6703 23.5337 68.5032 170.723 -88.1254 89.3936 -62.07 -73.6979 PRESSAVG: 556800 -24.4206 19.3525 28.7052 19.3524 61.6786 5.18818 28.7052 5.18819 3.88149 GPRESSAVG: 556800 -23.9693 19.9631 29.3641 19.8026 60.5729 6.25282 29.8817 5.26884 4.71526 TIMING: 556800 CPU: 1609.06, 0.00289622/step Wall: 1609.06, 0.00289622/step, 3.57458 hours remaining, 205.656250 MB of memory in use. ENERGY: 556800 754.6863 2072.7353 1949.0082 122.6724 -205906.2912 17624.9738 0.0000 0.0000 34270.9817 -149111.2337 299.2970 -183382.2153 -149018.2623 298.8751 -34.5009 -3.4273 557004.0751 13.7131 13.7729 PRESSURE: 557000 -75.1793 27.2508 3.8764 27.2524 21.0096 134.09 3.87766 134.092 25.738 GPRESSURE: 557000 -10.1706 6.32898 14.9194 -1.91889 22.2885 102.725 -21.1437 120.162 50.4719 PRESSAVG: 557000 -32.8328 -57.258 -14.3019 -57.258 54.3203 23.3192 -14.3018 23.3192 9.88826 GPRESSAVG: 557000 -33.3931 -58.0439 -13.6342 -57.5661 55.2914 24.8764 -15.0899 21.3183 8.78083 TIMING: 557000 CPU: 1609.65, 0.00290861/step Wall: 1609.65, 0.00290861/step, 3.58971 hours remaining, 205.656250 MB of memory in use. ENERGY: 557000 725.3852 2034.2432 1970.5246 126.6350 -206068.9161 17583.5847 0.0000 0.0000 34476.4266 -149152.1167 301.0912 -183628.5432 -149057.4054 299.1991 -9.4772 20.8633 557264.8873 10.4586 10.2264 PRESSURE: 557200 -81.344 139.913 -1.89855 139.915 -214.239 91.7629 -1.89828 91.7619 -74.6519 GPRESSURE: 557200 -87.3503 120.52 29.892 93.7525 -137.083 109.154 -11.7254 72.1769 -53.1244 PRESSAVG: 557200 -24.2421 -21.3843 -11.7595 -21.3843 -37.9252 43.3286 -11.7595 43.3285 64.2619 GPRESSAVG: 557200 -24.4179 -22.0486 -12.0116 -21.4216 -38.761 42.2483 -12.1489 45.289 65.3211 TIMING: 557200 CPU: 1610.23, 0.00292389/step Wall: 1610.23, 0.00292389/step, 3.60841 hours remaining, 205.656250 MB of memory in use. ENERGY: 557200 709.6105 2065.1789 1946.7812 122.0031 -205485.5809 17357.0377 0.0000 0.0000 34202.7832 -149082.1863 298.7014 -183284.9695 -148978.4189 299.4788 -123.4118 -92.5192 558608.0290 0.6982 0.7141 PRESSURE: 557400 -164.664 139.749 -287.411 139.75 -124.146 -8.01875 -287.41 -8.01989 -17.3278 GPRESSURE: 557400 -161.488 121.566 -369.673 147.457 -130.705 -71.6444 -225.271 83.1008 77.6516 PRESSAVG: 557400 -21.3344 80.5131 -15.6199 80.5132 59.9705 18.4566 -15.62 18.4566 -69.1951 GPRESSAVG: 557400 -20.613 80.7166 -17.1944 81.2065 59.5127 18.6427 -14.4577 17.0463 -69.5228 TIMING: 557400 CPU: 1610.81, 0.00290696/step Wall: 1610.81, 0.00290695/step, 3.58734 hours remaining, 205.656250 MB of memory in use. ENERGY: 557400 740.1873 2098.9368 1924.4522 126.2731 -206124.3021 17706.0853 0.0000 0.0000 34291.8112 -149236.5563 299.4789 -183528.3675 -149146.2562 299.8914 -102.0460 -71.5139 558558.1375 -10.1863 -10.2077 PRESSURE: 557600 -57.6343 7.03019 52.3072 7.0296 144.995 -4.66014 52.3076 -4.66053 -22.0714 GPRESSURE: 557600 26.6237 3.8712 44.3212 -22.7093 164.3 -11.2088 49.805 96.5908 -23.5648 PRESSAVG: 557600 -14.8617 -2.98607 14.1206 -2.98607 24.1414 -22.5045 14.1207 -22.5045 -50.435 GPRESSAVG: 557600 -15.0542 -4.20863 16.7729 -2.71201 24.3621 -22.7211 13.5766 -20.3662 -50.6829 TIMING: 557600 CPU: 1611.39, 0.0029079/step Wall: 1611.39, 0.0029079/step, 3.58835 hours remaining, 205.656250 MB of memory in use. ENERGY: 557600 703.8718 2063.0024 1941.9320 112.1494 -206386.4999 17928.0389 0.0000 0.0000 34270.7834 -149366.7221 299.2953 -183637.5055 -149268.8310 299.2838 21.7631 55.7864 558376.0672 -13.7184 -13.7917 PRESSURE: 557800 -82.8436 -137.891 31.2403 -137.89 -290.852 82.7802 31.2417 82.7814 84.6336 GPRESSURE: 557800 -50.7472 -192.084 30.4005 -70.7274 -244.69 47.6037 77.8493 55.4271 106.751 PRESSAVG: 557800 -41.6054 2.39247 22.8387 2.39258 48.9021 26.5264 22.8388 26.5265 36.3697 GPRESSAVG: 557800 -42.562 3.11594 20.1173 3.26642 49.3766 25.797 22.623 25.4022 36.6774 TIMING: 557800 CPU: 1611.98, 0.002913/step Wall: 1611.98, 0.002913/step, 3.59448 hours remaining, 205.656250 MB of memory in use. ENERGY: 557800 759.8999 2021.4195 1963.2482 114.1076 -206590.4415 17878.0719 0.0000 0.0000 34534.3191 -149319.3754 301.5968 -183853.6945 -149220.7163 299.1578 -96.3540 -62.8953 556666.5112 14.5555 14.4973 PRESSURE: 558000 -22.4955 60.9768 -67.8722 60.9762 -153.621 110.132 -67.8723 110.131 -63.1466 GPRESSURE: 558000 8.96109 81.4249 -154.708 34.2282 -149.236 124.587 -25.7026 96.1372 3.30193 PRESSAVG: 558000 -39.6323 -63.5827 40.9959 -63.5826 -39.9078 28.7803 40.996 28.7805 51.3623 GPRESSAVG: 558000 -39.279 -62.1207 43.0812 -64.3272 -39.3654 29.5077 41.1687 28.1088 50.543 TIMING: 558000 CPU: 1612.56, 0.00291005/step Wall: 1612.56, 0.00291005/step, 3.59067 hours remaining, 205.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 558000 728.0574 2055.6718 1955.2750 111.2664 -205936.0719 17627.7933 0.0000 0.0000 34288.2643 -149169.7438 299.4479 -183458.0080 -149071.7543 299.6688 -79.7543 -45.6577 558225.8402 -9.3926 -9.3672 PRESSURE: 558200 -46.7531 -170.066 25.239 -170.065 -394.807 24.2185 25.2388 24.2165 -259.998 GPRESSURE: 558200 -45.1269 -202.924 -41.8658 -154.609 -358.962 30.864 16.4526 15.8894 -208.853 PRESSAVG: 558200 25.6565 -35.0653 -13.3311 -35.0655 -42.9849 1.07003 -13.331 1.07008 -1.38107 GPRESSAVG: 558200 24.6705 -35.8982 -14.3845 -36.2127 -43.3699 2.55487 -12.8461 1.78873 -0.07809 TIMING: 558200 CPU: 1613.14, 0.00290374/step Wall: 1613.14, 0.00290374/step, 3.58274 hours remaining, 205.656250 MB of memory in use. ENERGY: 558200 797.0338 2008.8241 1933.7052 102.3289 -205813.0241 17510.9751 0.0000 0.0000 34292.5180 -149167.6391 299.4851 -183460.1572 -149062.8960 299.6788 -233.8527 -204.3138 557901.7513 -6.2365 -6.2592 PRESSURE: 558400 167.522 98.9304 -90.9272 98.9302 52.6257 14.4468 -90.9271 14.4468 32.0382 GPRESSURE: 558400 173.293 52.8017 -162.374 95.8334 43.1798 -31.4051 8.59736 78.2464 121.199 PRESSAVG: 558400 50.9682 -8.36942 13.3353 -8.3694 0.85429 53.86 13.3354 53.8599 -33.0923 GPRESSAVG: 558400 50.9515 -6.71675 13.0212 -8.73024 0.56132 51.8398 12.3005 54.4051 -32.1605 TIMING: 558400 CPU: 1613.72, 0.00289756/step Wall: 1613.72, 0.00289756/step, 3.57494 hours remaining, 205.710938 MB of memory in use. ENERGY: 558400 736.6196 2039.0654 1954.0217 110.7262 -206172.0411 17923.5219 0.0000 0.0000 34302.2509 -149105.8353 299.5701 -183408.0862 -149010.1026 299.6220 84.0621 112.5575 558025.3074 6.2434 6.4508 PRESSURE: 558600 42.2606 48.3169 79.5367 48.318 16.9763 -48.5156 79.5369 -48.5167 23.0693 GPRESSURE: 558600 90.4733 66.8264 56.7727 -22.4972 49.527 67.1523 122.005 -126.308 32.8406 PRESSAVG: 558600 70.9572 -6.95218 -9.43263 -6.95205 36.5457 -23.326 -9.43254 -23.3261 -49.9829 GPRESSAVG: 558600 71.0691 -7.69912 -8.13113 -5.93733 37.3271 -21.9991 -8.1588 -23.9197 -50.7856 TIMING: 558600 CPU: 1614.3, 0.00289638/step Wall: 1614.3, 0.00289638/step, 3.57333 hours remaining, 205.914062 MB of memory in use. ENERGY: 558600 736.2667 2086.6899 1940.3238 106.0970 -206322.8415 17765.0354 0.0000 0.0000 34355.4522 -149332.9765 300.0347 -183688.4287 -149227.6685 299.7425 27.4354 57.6136 557098.3247 19.1733 19.2035 PRESSURE: 558800 81.7033 -23.7593 86.8921 -23.758 224.768 10.6957 86.8925 10.6955 -17.4971 GPRESSURE: 558800 162.025 30.6275 88.6505 -33.3207 240.939 -20.0444 167.329 59.2995 -21.8959 PRESSAVG: 558800 1.62636 -9.5055 49.3205 -9.5055 30.4943 -14.5635 49.3206 -14.5635 5.57056 GPRESSAVG: 558800 1.85984 -9.30824 48.98 -9.3039 29.4753 -16.8882 49.333 -14.0333 6.74202 TIMING: 558800 CPU: 1614.87, 0.00288781/step Wall: 1614.87, 0.00288781/step, 3.5626 hours remaining, 205.914062 MB of memory in use. ENERGY: 558800 714.2979 1995.7165 1972.1931 122.3511 -206407.7061 17873.9107 0.0000 0.0000 34273.6757 -149455.5612 299.3205 -183729.2369 -149355.4665 298.9021 96.3247 127.0226 556427.3899 12.5638 12.6924 PRESSURE: 559000 -284.226 -116.5 -87.0427 -116.502 -69.3383 -4.98262 -87.0432 -4.98202 -133.869 GPRESSURE: 559000 -244.43 -200.929 35.2766 -78.2279 -45.3976 -83.3018 -163.808 49.0537 -90.4246 PRESSAVG: 559000 -20.299 -39.0115 -24.0798 -39.0115 53.3666 -1.21086 -24.0798 -1.21085 -11.2326 GPRESSAVG: 559000 -20.4593 -39.0133 -24.2106 -39.2359 54.5775 -0.337292 -26.614 -1.37292 -12.5495 TIMING: 559000 CPU: 1615.46, 0.00291515/step Wall: 1615.46, 0.00291515/step, 3.59617 hours remaining, 205.914062 MB of memory in use. ENERGY: 559000 780.0674 2145.3106 1946.5445 123.5521 -206187.6907 17727.7401 0.0000 0.0000 34141.8008 -149322.6751 298.1688 -183464.4760 -149230.0680 298.5662 -162.4778 -126.7508 556232.5716 7.2783 7.1896 PRESSURE: 559200 124.01 -42.4282 -90.7266 -42.4285 -15.1836 191.365 -90.7246 191.367 39.5955 GPRESSURE: 559200 224.7 -31.6622 -77.6168 -47.2671 -48.9678 223.05 -126.481 113.501 66.2495 PRESSAVG: 559200 8.89723 -38.2988 1.55498 -38.2987 9.8883 -1.36612 1.55503 -1.36617 -15.1548 GPRESSAVG: 559200 8.61314 -39.4673 1.65661 -36.8414 8.56112 0.972651 1.98027 -2.43708 -13.8555 TIMING: 559200 CPU: 1616.04, 0.0029024/step Wall: 1616.04, 0.0029024/step, 3.58027 hours remaining, 205.914062 MB of memory in use. ENERGY: 559200 727.4743 2055.3597 1975.1145 118.6650 -206008.0961 17562.3869 0.0000 0.0000 34268.2942 -149300.8015 299.2735 -183569.0957 -149206.3545 299.2969 49.4739 80.6605 554570.0589 1.2102 1.1063 PRESSURE: 559400 -120.236 1.46431 11.2108 1.46384 -160.565 46.5538 11.2105 46.5548 -132.334 GPRESSURE: 559400 -107.289 24.586 -11.635 13.6939 -69.4076 64.8094 36.0445 -2.52175 -128.158 PRESSAVG: 559400 -2.192 -2.77293 -2.756 -2.77305 -46.4641 32.7237 -2.75605 32.7235 58.2144 GPRESSAVG: 559400 -1.60759 -3.11302 -1.42624 -3.73187 -46.3603 31.4764 -4.40063 34.4107 57.802 TIMING: 559400 CPU: 1616.62, 0.00290823/step Wall: 1616.62, 0.00290823/step, 3.5873 hours remaining, 205.914062 MB of memory in use. ENERGY: 559400 762.8313 2078.9988 1933.1870 108.6144 -205665.6188 17366.4037 0.0000 0.0000 34140.3799 -149275.2037 298.1564 -183415.5835 -149182.2535 298.9749 -137.7119 -101.6184 556243.4554 3.1861 3.2780 PRESSURE: 559600 197.35 -63.1309 -52.4978 -63.1307 330.097 -56.4686 -52.4983 -56.4698 272.88 GPRESSURE: 559600 244.815 -34.5205 -8.41427 -56.9256 331.2 -61.4806 -28.2092 -28.4496 317.261 PRESSAVG: 559600 50.4026 -33.7082 6.40347 -33.7085 -43.2002 15.1185 6.4035 15.1185 21.1798 GPRESSAVG: 559600 51.1811 -32.4019 4.97702 -33.595 -43.3545 17.8738 7.31196 13.045 20.3194 TIMING: 559600 CPU: 1617.2, 0.00290715/step Wall: 1617.2, 0.00290715/step, 3.58581 hours remaining, 205.914062 MB of memory in use. ENERGY: 559600 757.8198 2043.9085 1922.4883 118.0817 -206762.1606 18002.8014 0.0000 0.0000 34455.8204 -149461.2405 300.9112 -183917.0609 -149366.8743 299.0075 266.7752 297.7591 553489.0276 9.4607 9.3820 PRESSURE: 559800 312.271 -223.461 49.9354 -223.459 -26.2072 110.074 49.9342 110.074 129.889 GPRESSURE: 559800 322.948 -184.982 97.1025 -129.488 13.9183 108.317 -10.304 113.278 179.399 PRESSAVG: 559800 -9.32434 -63.9671 8.19968 -63.9671 7.82076 -14.4256 8.19981 -14.4256 2.57549 GPRESSAVG: 559800 -9.52018 -64.4236 9.95931 -65.4184 8.24894 -16.485 7.98967 -13.2883 2.33151 TIMING: 559800 CPU: 1617.78, 0.00291268/step Wall: 1617.78, 0.00291268/step, 3.59247 hours remaining, 205.914062 MB of memory in use. ENERGY: 559800 742.1296 2110.5747 1929.0134 100.6427 -206384.3643 17993.3676 0.0000 0.0000 34052.8333 -149455.8029 297.3919 -183508.6362 -149363.6404 298.2869 138.6511 172.0884 554577.8406 0.3573 0.3534 PRESSURE: 560000 224.872 89.2982 -135.767 89.2989 43.2594 34.3556 -135.766 34.3548 26.1729 GPRESSURE: 560000 255.16 137.037 -57.6491 22.7527 71.762 3.31616 -205.994 40.4798 65.3106 PRESSAVG: 560000 76.9526 10.6131 24.8369 10.6132 -21.2398 13.0899 24.8369 13.09 -50.7182 GPRESSAVG: 560000 75.688 12.4488 24.1118 10.2409 -20.6899 12.2265 25.928 12.1218 -50.0004 TIMING: 560000 CPU: 1618.37, 0.00291421/step Wall: 1618.37, 0.00291421/step, 3.5942 hours remaining, 205.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 560000 732.8131 2028.7184 1947.7277 123.7341 -206410.0219 17809.1545 0.0000 0.0000 34419.3635 -149348.5106 300.5929 -183767.8741 -149250.2908 298.2580 98.1015 130.7441 555719.8886 1.6649 1.6659 PRESSURE: 560200 356.508 76.8692 -145.482 76.8692 -62.958 24.281 -145.484 24.2806 112.695 GPRESSURE: 560200 366.916 46.4678 -98.7045 119.446 -17.1696 12.324 -87.5923 8.04398 152.069 PRESSAVG: 560200 22.6722 -37.4918 27.8804 -37.4918 8.17619 12.0904 27.8805 12.0903 -47.0875 GPRESSAVG: 560200 23.3912 -37.6744 24.8486 -36.0718 7.12949 11.5653 29.2803 14.056 -46.3334 TIMING: 560200 CPU: 1618.95, 0.00290544/step Wall: 1618.95, 0.00290544/step, 3.58322 hours remaining, 205.914062 MB of memory in use. ENERGY: 560200 728.4626 2121.8302 1933.8192 121.8376 -206330.0850 17896.5846 0.0000 0.0000 34488.9785 -149038.5722 301.2008 -183527.5507 -148946.4003 299.0482 135.4152 167.2720 555440.4714 -5.4130 -5.2709 LDB: ============= START OF LOAD BALANCING ============== 1622.33 LDB: ============== END OF LOAD BALANCING =============== 1622.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1622.34 LDB: ============= START OF LOAD BALANCING ============== 1622.63 LDB: Largest compute 4822 load 0.031593 is 26.8% of average load 0.117817 LDB: Average compute 0.001728 is 1.5% of average load 0.117817 LDB: TIME 1622.63 LOAD: AVG 0.117817 MAX 0.178149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.152 MB LDB: TIME 1622.63 LOAD: AVG 0.117817 MAX 0.178149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.156 MB LDB: TIME 1622.63 LOAD: AVG 0.117817 MAX 0.178149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.156 MB LDB: ============== END OF LOAD BALANCING =============== 1622.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1622.63 PRESSURE: 560400 280.509 187.358 176.891 187.357 -161.779 -21.4002 176.891 -21.4016 -126.04 GPRESSURE: 560400 237.272 141.452 209.504 149.967 -127.319 -71.3926 121.142 41.5399 -21.6171 PRESSAVG: 560400 42.232 12.6172 37.9535 12.6173 -46.5305 -7.90749 37.9535 -7.90748 -42.1154 GPRESSAVG: 560400 42.1484 11.5808 39.0743 12.2284 -46.7685 -6.10168 37.16 -8.93786 -41.9402 TIMING: 560400 CPU: 1619.54, 0.00295728/step Wall: 1619.54, 0.00295728/step, 3.64698 hours remaining, 206.660156 MB of memory in use. ENERGY: 560400 721.9851 2153.1899 1936.0766 107.3960 -205974.2102 17709.8410 0.0000 0.0000 34409.2418 -148936.4797 300.5045 -183345.7215 -148839.4962 299.2271 -2.4368 29.4454 557349.1924 -15.4713 -15.5201 PRESSURE: 560600 -16.1984 -93.3294 -154.994 -93.3278 385.175 34.2652 -154.994 34.2654 -6.66243 GPRESSURE: 560600 -10.4046 -84.0956 -148.537 9.37832 384.285 12.5201 -223.634 -1.94625 82.5717 PRESSAVG: 560600 19.9775 -6.13237 -3.30731 -6.13243 -14.0068 11.2239 -3.30732 11.2239 12.9013 GPRESSAVG: 560600 20.4798 -6.74532 -0.664802 -5.4162 -13.3405 11.444 -5.06888 10.6719 11.939 TIMING: 560600 CPU: 1620.12, 0.00289203/step Wall: 1620.12, 0.00289203/step, 3.56635 hours remaining, 207.121094 MB of memory in use. ENERGY: 560600 722.4397 2073.6614 1930.6628 119.7365 -205962.4148 17925.9140 0.0000 0.0000 34507.5860 -148682.4144 301.3633 -183190.0004 -148590.0191 301.0415 120.7714 152.1507 559136.8532 6.2907 6.3594 PRESSURE: 560800 245.707 -68.0322 74.3785 -68.0343 -120.296 105.263 74.3784 105.262 99.4794 GPRESSURE: 560800 210.619 -34.6958 110.568 10.2512 -26.0021 155.873 67.0774 34.0279 144.744 PRESSAVG: 560800 0.266461 -30.9896 7.04564 -30.9895 -64.9626 20.051 7.04562 20.051 23.635 GPRESSAVG: 560800 -1.18826 -30.1624 4.82472 -29.4319 -63.5975 21.1681 7.91932 19.1337 24.3202 TIMING: 560800 CPU: 1620.69, 0.00285324/step Wall: 1620.69, 0.00285324/step, 3.51836 hours remaining, 207.121094 MB of memory in use. ENERGY: 560800 735.4620 2089.8014 1948.0003 107.9634 -205716.0652 17862.6167 0.0000 0.0000 34367.0428 -148605.1785 300.1359 -182972.2213 -148503.6791 301.2127 74.9634 109.7870 558960.9697 -13.6870 -13.4885 PRESSURE: 561000 11.0992 -192.75 194.693 -192.748 60.3822 43.5228 194.692 43.5219 51.4737 GPRESSURE: 561000 69.3603 -103.393 61.3887 -187.778 49.2056 65.6022 376.763 19.1339 88.2245 PRESSAVG: 561000 28.9488 3.61714 -22.0363 3.61719 5.6164 -5.63601 -22.0363 -5.63602 4.13283 GPRESSAVG: 561000 30.2174 3.05195 -22.4289 3.80296 4.45658 -7.09373 -21.1416 -3.88435 3.9473 TIMING: 561000 CPU: 1621.27, 0.00290482/step Wall: 1621.27, 0.00290482/step, 3.5818 hours remaining, 207.121094 MB of memory in use. ENERGY: 561000 764.2594 2089.7447 1949.5795 114.7868 -205494.9643 17839.4690 0.0000 0.0000 34043.4116 -148693.7134 297.3096 -182737.1249 -148595.6067 300.7788 40.9851 68.9301 558647.8228 12.8993 12.8738 PRESSURE: 561200 -86.3555 70.9704 109.383 70.9711 -198.757 -50.1485 109.382 -50.1488 135.075 GPRESSURE: 561200 -42.6012 55.605 79.8098 83.7987 -129.023 -91.5906 187.053 62.4405 121.689 PRESSAVG: 561200 7.56487 -4.01959 4.88926 -4.01949 -17.5455 -5.26664 4.88923 -5.26663 -6.70253 GPRESSAVG: 561200 7.2113 -3.37106 6.94866 -6.07549 -15.9318 -6.61003 5.09503 -5.221 -6.90127 TIMING: 561200 CPU: 1621.85, 0.00289535/step Wall: 1621.85, 0.00289535/step, 3.56996 hours remaining, 207.121094 MB of memory in use. ENERGY: 561200 745.8343 2120.0672 1952.8839 118.0820 -205566.7618 17744.6491 0.0000 0.0000 34274.7969 -148610.4485 299.3303 -182885.2453 -148512.9830 300.2560 -50.0124 -16.6452 560711.9103 -5.5610 -5.2073 PRESSURE: 561400 -223.735 87.3273 90.3004 87.3271 -159.288 -25.2689 90.3001 -25.2674 -338.636 GPRESSURE: 561400 -197.006 35.1754 85.1698 93.6193 -129.554 -3.57968 19.6645 -21.5075 -304.634 PRESSAVG: 561400 6.87762 18.1539 23.5421 18.1539 -24.7125 -1.64755 23.5422 -1.64768 -9.22151 GPRESSAVG: 561400 7.60575 17.384 21.8952 19.1957 -25.2401 -1.58822 23.188 -1.25583 -9.39237 TIMING: 561400 CPU: 1622.43, 0.00290821/step Wall: 1622.43, 0.00290821/step, 3.58566 hours remaining, 207.121094 MB of memory in use. ENERGY: 561400 763.4390 2084.5645 1957.4607 108.3361 -205390.8228 17446.7612 0.0000 0.0000 34353.7812 -148676.4801 300.0201 -183030.2614 -148583.7173 300.9384 -240.5528 -210.3980 559746.8724 -9.0188 -9.0089 PRESSURE: 561600 -36.1013 29.2809 -108.419 29.2806 -269.024 163.057 -108.421 163.055 38.2104 GPRESSURE: 561600 -27.072 -59.9311 -98.0309 93.4386 -209.359 176.114 -133.366 81.1456 60.2973 PRESSAVG: 561600 19.9876 -13.8648 8.90216 -13.8649 6.68719 11.3562 8.90216 11.3562 -8.95742 GPRESSAVG: 561600 19.7214 -15.0133 7.49545 -15.8376 7.14335 10.6473 9.91775 10.6507 -9.72502 TIMING: 561600 CPU: 1623.01, 0.0029122/step Wall: 1623.01, 0.0029122/step, 3.59042 hours remaining, 207.121094 MB of memory in use. ENERGY: 561600 755.7086 2031.6418 1947.7746 116.7167 -205713.6121 17617.6543 0.0000 0.0000 34531.3546 -148712.7615 301.5709 -183244.1161 -148621.8819 301.2906 -88.9716 -58.7113 557892.7418 5.9058 5.7132 PRESSURE: 561800 -11.1642 -59.3622 -109.697 -59.3635 -41.5519 128.3 -109.699 128.3 138.68 GPRESSURE: 561800 42.498 -13.9712 -166.991 -8.65728 54.7349 160.098 -127.484 74.0456 70.8213 PRESSAVG: 561800 1.31433 -44.469 -51.6206 -44.4692 -43.5698 42.9938 -51.6206 42.9938 2.2734 GPRESSAVG: 561800 1.52963 -42.619 -48.798 -45.0051 -44.5154 44.2054 -52.3851 42.7759 2.56691 TIMING: 561800 CPU: 1623.6, 0.0029138/step Wall: 1623.6, 0.0029138/step, 3.59223 hours remaining, 207.121094 MB of memory in use. ENERGY: 561800 731.7424 2088.8752 1916.5177 110.0575 -205687.0045 17685.5084 0.0000 0.0000 34325.9752 -148828.3281 299.7773 -183154.3033 -148731.4091 300.5519 28.6545 56.0181 557762.0174 -13.3274 -13.4730 PRESSURE: 562000 -125.863 -34.7942 6.48708 -34.7945 177.481 -60.9994 6.48719 -61.0011 -233.092 GPRESSURE: 562000 -68.1827 -81.4535 -27.2011 41.5882 189.161 -76.1487 59.197 45.8731 -193.355 PRESSAVG: 562000 -27.4125 3.01775 -36.381 3.01768 60.884 28.9499 -36.3811 28.9499 -31.8883 GPRESSAVG: 562000 -27.9587 1.07655 -37.2672 5.63709 60.9247 29.6621 -37.2807 29.5944 -31.2938 TIMING: 562000 CPU: 1624.18, 0.00293/step Wall: 1624.18, 0.00293/step, 3.61204 hours remaining, 207.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 562000 772.2221 2063.4158 1960.8499 115.8307 -205961.6294 17738.7582 0.0000 0.0000 34585.6422 -148724.9105 302.0450 -183310.5527 -148629.5663 300.6948 -60.4913 -24.1252 557417.5416 0.5277 0.5574 PRESSURE: 562200 -23.8925 31.8539 -71.212 31.8528 20.667 133.802 -71.2118 133.803 20.1928 GPRESSURE: 562200 0.936757 15.9049 -145.109 -17.7967 40.6918 152.452 -81.8725 55.3337 72.1499 PRESSAVG: 562200 60.5771 29.1472 18.6803 29.1472 -69.1088 -20.0001 18.6804 -20 -0.4166 GPRESSAVG: 562200 61.8456 32.2305 17.8963 27.0933 -70.1967 -19.2253 18.5947 -19.8256 -0.290956 TIMING: 562200 CPU: 1624.77, 0.0029245/step Wall: 1624.77, 0.0029245/step, 3.6051 hours remaining, 207.246094 MB of memory in use. ENERGY: 562200 770.2651 2142.8877 1938.4339 107.1302 -205534.3930 17573.2823 0.0000 0.0000 34356.7074 -148645.6865 300.0457 -183002.3940 -148546.8388 301.3243 5.6558 37.9262 558059.1092 -2.9828 -2.8807 PRESSURE: 562400 185.94 -170.167 82.6185 -170.168 76.7338 -126.026 82.6192 -126.027 -165.058 GPRESSURE: 562400 200.323 -150.207 15.9053 -155.386 148.849 -41.4357 94.6423 -122.492 -163.247 PRESSAVG: 562400 35.0541 16.5136 -31.8752 16.5135 -58.245 13.3054 -31.8752 13.3053 -19.6816 GPRESSAVG: 562400 34.1229 14.6155 -32.4599 15.9069 -57.4119 14.4303 -31.0802 12.4232 -19.5392 TIMING: 562400 CPU: 1625.35, 0.00291517/step Wall: 1625.35, 0.00291517/step, 3.59343 hours remaining, 207.246094 MB of memory in use. ENERGY: 562400 744.7559 2141.4115 1964.7903 116.9726 -205737.5891 17775.6991 0.0000 0.0000 34367.7575 -148626.2021 300.1422 -182993.9596 -148531.4364 300.6789 32.5384 61.9751 557044.0672 -14.2908 -14.2761 PRESSURE: 562600 159.123 -159.516 217.509 -159.516 -146.861 63.1062 217.51 63.1075 -66.4754 GPRESSURE: 562600 207.373 -245.468 217.007 -172.318 -107.207 52.0282 237.793 29.5079 -58.8665 PRESSAVG: 562600 -13.7036 -43.2177 31.1959 -43.2177 21.4424 25.1286 31.1958 25.1287 -2.28204 GPRESSAVG: 562600 -14.3853 -41.2113 31.7733 -44.5111 21.7894 22.5868 30.0037 25.7694 -1.38284 TIMING: 562600 CPU: 1625.93, 0.00291828/step Wall: 1625.93, 0.00291828/step, 3.5971 hours remaining, 207.246094 MB of memory in use. ENERGY: 562600 757.4299 2061.6047 1961.9450 127.0403 -205489.8645 17697.7116 0.0000 0.0000 34131.1519 -148752.9813 298.0758 -182884.1331 -148660.1117 301.4798 -18.0713 13.7667 558631.4468 1.8189 2.0071 PRESSURE: 562800 92.1198 -149.402 89.7795 -149.402 31.8711 36.4741 89.7794 36.4737 -226.818 GPRESSURE: 562800 79.5584 -93.5721 63.7224 -167.491 88.45 60.5182 128.43 -20.9608 -174.537 PRESSAVG: 562800 41.0076 -1.21215 41.0308 -1.2123 -12.8053 36.3103 41.0308 36.3104 -0.730183 GPRESSAVG: 562800 40.2484 -1.83461 41.9137 0.211395 -12.5123 34.5485 42.0532 37.97 -0.71083 TIMING: 562800 CPU: 1626.51, 0.00290237/step Wall: 1626.51, 0.00290237/step, 3.57733 hours remaining, 207.300781 MB of memory in use. ENERGY: 562800 741.8149 2112.0844 1979.2238 122.9819 -205663.3104 17466.8441 0.0000 0.0000 34408.1601 -148832.2012 300.4950 -183240.3612 -148740.6335 300.5178 -34.2756 -2.1763 556711.9868 9.1573 9.0084 PRESSURE: 563000 -212.682 -87.8286 -16.5608 -87.8287 -156.551 64.6181 -16.5598 64.617 -179.423 GPRESSURE: 563000 -191.841 -164.672 -113.286 -23.9223 -105.567 56.9532 74.6729 105.255 -159 PRESSAVG: 563000 32.7127 26.8033 -5.59982 26.8033 60.1733 36.9821 -5.59994 36.9821 -42.7864 GPRESSAVG: 563000 32.5016 26.1255 -5.08269 26.2607 60.1165 39.336 -6.31047 36.1276 -42.6486 TIMING: 563000 CPU: 1627.1, 0.00291955/step Wall: 1627.1, 0.00291955/step, 3.59835 hours remaining, 207.300781 MB of memory in use. ENERGY: 563000 768.0315 2027.8627 1945.6827 124.8930 -205661.8146 17375.4699 0.0000 0.0000 34501.5461 -148918.3287 301.3106 -183419.8748 -148824.1954 300.3563 -182.8854 -152.1358 556345.4462 16.6999 16.6565 PRESSURE: 563200 -129.058 -141.089 -22.826 -141.088 -128.132 89.5567 -22.8267 89.5577 -15.4192 GPRESSURE: 563200 -142.705 -136.187 45.3297 -158.707 -69.1223 56.4528 -9.81286 73.615 32.6443 PRESSAVG: 563200 -32.0875 14.9676 -7.46918 14.9675 29.4401 13.7264 -7.46917 13.7264 11.2577 GPRESSAVG: 563200 -30.5148 15.9496 -7.38284 15.2593 27.6886 14.5783 -9.03947 13.2342 11.8541 TIMING: 563200 CPU: 1627.67, 0.00288465/step Wall: 1627.67, 0.00288465/step, 3.55517 hours remaining, 207.300781 MB of memory in use. ENERGY: 563200 734.8320 2103.2434 1945.4328 109.5813 -205882.5294 17579.9750 0.0000 0.0000 34317.3028 -149092.1621 299.7015 -183409.4649 -148990.7716 300.1246 -90.8696 -59.7276 557002.4112 2.8701 3.0093 PRESSURE: 563400 -132.312 65.273 170.724 65.2724 -262.395 60.013 170.723 60.0143 -34.3241 GPRESSURE: 563400 -102.024 61.3622 204.391 -53.2711 -221.416 45.8491 175.261 119.877 -12.0552 PRESSAVG: 563400 -23.2547 1.16695 -33.7284 1.16684 -15.3737 17.6981 -33.7285 17.6979 65.6558 GPRESSAVG: 563400 -22.266 0.127735 -34.7901 1.0056 -14.1208 16.5455 -31.3172 18.4238 63.3992 TIMING: 563400 CPU: 1628.25, 0.00288336/step Wall: 1628.25, 0.00288336/step, 3.55342 hours remaining, 207.300781 MB of memory in use. ENERGY: 563400 751.0547 2041.1754 1958.7633 108.4804 -205415.8667 17511.4708 0.0000 0.0000 34201.0919 -148843.8301 298.6866 -183044.9220 -148751.7696 300.3809 -143.0104 -111.8315 558776.4477 9.0091 9.0041 PRESSURE: 563600 -23.0513 -70.967 69.7246 -70.9677 -56.0468 10.2241 69.7242 10.225 -267.267 GPRESSURE: 563600 -23.9497 -36.4752 47.5688 -71.9292 -2.39717 -56.8773 172 44.792 -230.857 PRESSAVG: 563600 12.2546 39.8748 19.7834 39.8748 -60.9594 -25.2327 19.7835 -25.2326 15.0877 GPRESSAVG: 563600 13.0861 38.5029 22.5492 40.7718 -62.5609 -25.0156 16.8357 -26.2471 16.2101 TIMING: 563600 CPU: 1628.83, 0.00287226/step Wall: 1628.83, 0.00287226/step, 3.53959 hours remaining, 207.300781 MB of memory in use. ENERGY: 563600 776.6266 2077.1764 1931.7870 101.6665 -205945.5770 17707.6722 0.0000 0.0000 34506.6157 -148844.0326 301.3549 -183350.6484 -148746.2364 300.5042 -115.4551 -85.7347 557918.8392 -11.2057 -11.0883 PRESSURE: 563800 169.688 222.792 75.1635 222.792 270.874 17.2657 75.1629 17.265 -54.0581 GPRESSURE: 563800 192.218 190.991 119.243 227.523 257.708 9.09839 73.6226 -36.7918 27.6983 PRESSAVG: 563800 -23.5562 -0.0960818 18.2575 -0.0960806 6.24529 -43.1434 18.2575 -43.1433 63.6571 GPRESSAVG: 563800 -25.0374 -0.377352 16.1535 2.22456 6.95709 -45.5987 19.3384 -42.3774 64.0504 TIMING: 563800 CPU: 1629.4, 0.00289822/step Wall: 1629.4, 0.00289822/step, 3.57141 hours remaining, 207.300781 MB of memory in use. ENERGY: 563800 726.8650 2043.4274 1948.6838 99.8436 -206215.4971 18041.0423 0.0000 0.0000 34394.6903 -148960.9448 300.3774 -183355.6351 -148867.6715 300.1247 128.8346 159.2081 557634.4227 15.4487 15.3234 PRESSURE: 564000 -16.9876 34.7909 -48.6213 34.7912 -7.18599 217.253 -48.622 217.253 105.553 GPRESSURE: 564000 22.7562 87.4633 10.0804 25.3569 42.0883 211.373 -91.0197 214.586 116.919 PRESSAVG: 564000 -30.0131 -44.5575 47.6435 -44.5574 9.1325 67.5787 47.6436 67.5788 -31.7796 GPRESSAVG: 564000 -30.4374 -42.1941 46.8372 -45.198 9.96196 69.7202 49.4669 66.3861 -32.0378 TIMING: 564000 CPU: 1629.99, 0.00292368/step Wall: 1629.99, 0.00292368/step, 3.60262 hours remaining, 207.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 564000 737.4513 2126.0369 1959.6373 112.3627 -205936.7677 17834.7460 0.0000 0.0000 34292.6203 -148873.9133 299.4860 -183166.5336 -148781.9305 299.5767 27.1266 60.5879 557230.8406 -17.5534 -17.5044 PRESSURE: 564200 -311.962 -9.90506 -17.6406 -9.90475 -227.526 2.83247 -17.6395 2.83279 -11.7809 GPRESSURE: 564200 -236.038 6.21862 -4.2766 -50.835 -218.722 44.4546 28.4442 27.8354 -1.85515 PRESSAVG: 564200 -37.9016 -11.7322 65.8109 -11.7321 20.078 43.3411 65.8109 43.341 25.7004 GPRESSAVG: 564200 -37.2342 -12.341 65.4739 -12.798 19.5674 43.4573 65.6962 44.0832 25.4082 TIMING: 564200 CPU: 1630.57, 0.00289279/step Wall: 1630.57, 0.00289279/step, 3.5644 hours remaining, 207.300781 MB of memory in use. ENERGY: 564200 767.3998 2095.0176 1949.4990 123.6201 -205797.3658 17558.0732 0.0000 0.0000 34525.8856 -148777.8705 301.5231 -183303.7561 -148685.2699 300.7508 -183.7563 -152.2050 557900.4326 2.6256 2.5805 LDB: ============= START OF LOAD BALANCING ============== 1633.95 LDB: ============== END OF LOAD BALANCING =============== 1633.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1633.96 LDB: ============= START OF LOAD BALANCING ============== 1634.25 LDB: Largest compute 4822 load 0.030361 is 25.7% of average load 0.117909 LDB: Average compute 0.001734 is 1.5% of average load 0.117909 LDB: TIME 1634.25 LOAD: AVG 0.117909 MAX 0.179497 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.375 MB LDB: TIME 1634.25 LOAD: AVG 0.117909 MAX 0.179497 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: TIME 1634.25 LOAD: AVG 0.117909 MAX 0.179497 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1634.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1634.26 PRESSURE: 564400 -94.2661 34.8299 -68.9535 34.8298 -248.974 -116.58 -68.9533 -116.579 -25.5647 GPRESSURE: 564400 4.82348 -5.16442 -59.2821 77.4637 -270.592 -180.622 -52.8559 -92.3284 -9.04199 PRESSAVG: 564400 -78.0569 14.7242 -19.9792 14.7241 -29.2671 -15.8034 -19.9792 -15.8034 65.6529 GPRESSAVG: 564400 -77.0963 15.0959 -21.0107 14.8073 -30.4465 -16.7645 -19.7056 -16.617 66.021 TIMING: 564400 CPU: 1631.16, 0.00296648/step Wall: 1631.16, 0.00296648/step, 3.65503 hours remaining, 205.800781 MB of memory in use. ENERGY: 564400 743.6402 2075.0896 1954.9056 109.0766 -205574.0253 17496.4412 0.0000 0.0000 34375.8467 -148819.0253 300.2128 -183194.8721 -148720.0892 300.6026 -122.9349 -91.6035 558529.6577 -13.8904 -13.8406 PRESSURE: 564600 -238.175 27.5377 86.436 27.5379 -207.454 54.9572 86.4372 54.9552 -18.3696 GPRESSURE: 564600 -271.332 22.5743 92.3465 11.7885 -91.6299 42.0661 29.0165 -13.8714 -3.93238 PRESSAVG: 564600 -26.7765 -60.0274 7.22599 -60.0273 15.4 -25.8203 7.22585 -25.8202 -31.9985 GPRESSAVG: 564600 -26.9063 -59.6607 9.82515 -61.5474 17.6209 -25.6188 6.6735 -25.6935 -33.4816 TIMING: 564600 CPU: 1631.74, 0.00290944/step Wall: 1631.74, 0.00290944/step, 3.58459 hours remaining, 205.800781 MB of memory in use. ENERGY: 564600 747.4150 2082.8167 2000.7657 127.8738 -205509.0532 17497.9247 0.0000 0.0000 34254.5459 -148797.7113 299.1535 -183052.2572 -148701.6880 300.0891 -154.6662 -122.2980 559498.5195 -14.4583 -14.2557 PRESSURE: 564800 58.9638 54.6929 -240.328 54.6924 -196.845 -47.5087 -240.329 -47.5088 85.3057 GPRESSURE: 564800 45.7431 42.9615 -274.787 71.6646 -147.411 -4.8771 -275.926 -9.3567 144.066 PRESSAVG: 564800 -35.6921 -53.548 -42.4379 -53.5481 29.471 -35.1212 -42.4379 -35.1212 -44.3524 GPRESSAVG: 564800 -36.8213 -54.2018 -43.0642 -52.3951 28.4579 -35.5989 -41.9332 -33.956 -42.3744 TIMING: 564800 CPU: 1632.32, 0.00288499/step Wall: 1632.32, 0.002885/step, 3.55431 hours remaining, 206.003906 MB of memory in use. ENERGY: 564800 742.1248 2076.0135 1962.8098 105.9611 -205953.3705 17723.2115 0.0000 0.0000 34665.5199 -148677.7298 302.7426 -183343.2497 -148582.2331 300.5066 -17.5252 14.1327 556690.0644 -16.8578 -16.9126 PRESSURE: 565000 -120.994 -55.5261 -84.7502 -55.5262 -187.5 -49.0737 -84.75 -49.0737 61.0299 GPRESSURE: 565000 -89.915 22.7248 -117.797 -142.328 -105.126 -37.7593 -118.272 51.2676 50.875 PRESSAVG: 565000 17.6011 -51.6331 -37.6051 -51.6331 -30.1982 23.1886 -37.6051 23.1885 5.1749 GPRESSAVG: 565000 18.8556 -51.7098 -37.7906 -53.222 -30.8716 23.9238 -38.9228 22.5377 4.38422 TIMING: 565000 CPU: 1632.91, 0.00292435/step Wall: 1632.91, 0.00292435/step, 3.60264 hours remaining, 206.003906 MB of memory in use. ENERGY: 565000 725.9457 2113.7562 1940.1229 114.4071 -205248.1113 17352.7310 0.0000 0.0000 34270.9883 -148730.1602 299.2971 -183001.1485 -148634.9772 300.7912 -82.4881 -48.0554 558271.2134 -2.4741 -2.5440 PRESSURE: 565200 -85.8859 -83.5897 -9.44808 -83.5899 96.4231 58.7722 -9.44963 58.7739 299.64 GPRESSURE: 565200 -67.262 -54.122 87.5728 -90.7191 180.52 37.223 -33.0847 57.5571 285.886 PRESSAVG: 565200 42.8879 -26.644 -32.1764 -26.644 -25.4022 -2.58486 -32.1763 -2.58478 -18.275 GPRESSAVG: 565200 41.77 -27.2047 -31.0809 -24.5812 -22.9951 -4.60448 -31.8286 -2.6581 -19.094 TIMING: 565200 CPU: 1633.49, 0.00291556/step Wall: 1633.49, 0.00291556/step, 3.59165 hours remaining, 206.003906 MB of memory in use. ENERGY: 565200 749.6619 2097.1032 1969.9429 101.3557 -205654.2367 17837.7431 0.0000 0.0000 34319.3729 -148579.0570 299.7196 -182898.4299 -148480.1821 300.0655 103.3926 133.0480 557978.5506 -0.2631 -0.1064 PRESSURE: 565400 159.881 151.586 79.2755 151.588 97.3271 17.0198 79.2757 17.0197 -185.72 GPRESSURE: 565400 170.329 143.423 99.1886 142.977 149.198 -26.7149 62.703 21.8071 -161.093 PRESSAVG: 565400 89.4976 -32.0361 -15.6933 -32.036 -71.1122 21.2188 -15.6934 21.2189 -8.45588 GPRESSAVG: 565400 89.329 -31.1644 -17.689 -32.2045 -71.0641 23.7448 -14.8124 19.7839 -7.93741 TIMING: 565400 CPU: 1634.07, 0.00290971/step Wall: 1634.07, 0.00290971/step, 3.58428 hours remaining, 206.003906 MB of memory in use. ENERGY: 565400 760.7498 2092.9264 1951.9761 118.8265 -205918.2286 17775.9021 0.0000 0.0000 34303.0663 -148914.7815 299.5772 -183217.8478 -148807.8575 300.4439 23.8294 52.8115 558357.7822 3.3098 3.4425 PRESSURE: 565600 -29.1158 3.43933 104.484 3.43847 -171.01 -21.6438 104.484 -21.6431 -67.5085 GPRESSURE: 565600 -15.6074 -3.89337 3.30066 56.6164 -120.709 -96.3155 133.714 -44.8005 -42.7293 PRESSAVG: 565600 15.8864 -21.8895 -21.6833 -21.8894 5.48642 -33.0598 -21.6833 -33.0598 8.19687 GPRESSAVG: 565600 17.0355 -19.1445 -20.8287 -22.6074 5.07615 -33.3276 -23.694 -30.6237 7.89033 TIMING: 565600 CPU: 1634.65, 0.00291503/step Wall: 1634.65, 0.00291503/step, 3.59067 hours remaining, 206.003906 MB of memory in use. ENERGY: 565600 776.9189 2043.6795 1982.7266 115.2014 -206156.8250 17820.6677 0.0000 0.0000 34294.4054 -149123.2253 299.5016 -183417.6307 -149020.7945 300.0420 -89.2113 -59.6819 557853.2550 9.8566 10.0007 PRESSURE: 565800 -194.963 75.7138 -197.908 75.7135 -3.88352 -95.8241 -197.909 -95.8236 200.893 GPRESSURE: 565800 -196.731 150.538 -179.14 12.2758 78.772 -96.8737 -183.457 -65.1291 221.323 PRESSAVG: 565800 -57.6367 -33.6584 26.9128 -33.6583 -26.2681 -15.5776 26.9128 -15.5777 3.04458 GPRESSAVG: 565800 -56.5508 -37.2242 25.3737 -32.9365 -28.2089 -16.1456 28.2106 -17.7208 3.95065 TIMING: 565800 CPU: 1635.23, 0.00290686/step Wall: 1635.23, 0.00290686/step, 3.58045 hours remaining, 206.003906 MB of memory in use. ENERGY: 565800 746.5428 2099.8992 1946.1594 125.8539 -206237.6212 17939.7531 0.0000 0.0000 34244.6537 -149134.7590 299.0671 -183379.4127 -149039.0403 299.4234 0.6820 34.4545 558193.7987 -26.9534 -26.9364 PRESSURE: 566000 55.5416 -36.4227 -104.944 -36.4236 -55.4165 20.3344 -104.943 20.3335 194.138 GPRESSURE: 566000 5.76414 -27.356 -155.226 -7.76414 -35.2274 33.6334 6.74578 109.56 309.831 PRESSAVG: 566000 -19.8207 -37.6402 -16.9779 -37.6402 -4.89231 24.3043 -16.978 24.3043 12.0276 GPRESSAVG: 566000 -20.6672 -35.961 -16.109 -38.7694 -4.39676 24.2017 -16.8178 24.8051 12.032 TIMING: 566000 CPU: 1635.82, 0.00290965/step Wall: 1635.82, 0.00290965/step, 3.58372 hours remaining, 206.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 566000 744.5379 2138.4312 1958.7784 120.1133 -206190.8047 17737.5226 0.0000 0.0000 34451.1213 -149040.2999 300.8702 -183491.4212 -148946.2122 299.7460 64.7543 93.4560 557083.5943 -4.2285 -4.3440 PRESSURE: 566200 106.387 85.3756 42.0414 85.3764 20.2696 8.95879 42.0434 8.95629 -101.967 GPRESSURE: 566200 127.477 150.315 59.0232 41.5804 78.5637 25.4513 46.0143 -76.2604 -79.9568 PRESSAVG: 566200 -67.339 -6.09248 15.8898 -6.09246 74.246 -30.4599 15.8899 -30.4599 37.8738 GPRESSAVG: 566200 -67.2713 -6.43462 15.775 -3.49272 74.6532 -31.1276 15.8837 -30.0607 37.3703 TIMING: 566200 CPU: 1636.4, 0.00289541/step Wall: 1636.4, 0.00289541/step, 3.56601 hours remaining, 206.003906 MB of memory in use. ENERGY: 566200 731.9160 2066.2637 1942.0257 116.6864 -206075.8441 17765.1214 0.0000 0.0000 34396.6138 -149057.2171 300.3942 -183453.8309 -148955.5320 300.4617 8.2300 42.0278 557483.7281 14.9269 14.9174 PRESSURE: 566400 191.35 -127.218 274.348 -127.217 181.141 48.4378 274.348 48.4359 19.9135 GPRESSURE: 566400 234.114 -142.395 172.28 -133.242 232.13 77.3159 277.42 -4.036 38.2354 PRESSAVG: 566400 38.2016 43.3994 42.1605 43.3994 -29.8864 -1.65095 42.1605 -1.65107 -2.04551 GPRESSAVG: 566400 38.6603 44.0889 41.1389 40.6339 -29.8813 -0.424419 41.1581 -2.66673 -2.33669 TIMING: 566400 CPU: 1636.97, 0.00287946/step Wall: 1636.97, 0.00287946/step, 3.54621 hours remaining, 206.003906 MB of memory in use. ENERGY: 566400 790.2805 2064.4351 1923.9680 110.1603 -206115.6841 17917.7238 0.0000 0.0000 34291.5184 -149017.5979 299.4764 -183309.1163 -148921.0339 300.3273 130.8014 168.1599 557231.0591 2.0899 2.1474 PRESSURE: 566600 171.788 -73.4873 50.4557 -73.4872 -283.906 44.4914 50.4539 44.4927 87.0506 GPRESSURE: 566600 224.995 -63.7982 107.579 -13.0047 -299.517 57.6068 -3.22138 24.8234 142.436 PRESSAVG: 566600 12.5647 4.93007 42.0796 4.93011 46.498 42.6378 42.0795 42.6377 -43.7368 GPRESSAVG: 566600 11.9486 2.12151 43.7285 7.58876 46.8124 42.6487 41.7495 42.8735 -43.1378 TIMING: 566600 CPU: 1637.55, 0.00289616/step Wall: 1637.55, 0.00289616/step, 3.56662 hours remaining, 206.003906 MB of memory in use. ENERGY: 566600 751.8261 2042.7717 1958.8763 104.7055 -206245.1935 17841.9263 0.0000 0.0000 34505.7662 -149039.3214 301.3474 -183545.0876 -148944.2148 300.0425 -8.3559 22.6381 558085.7025 5.1086 5.2077 PRESSURE: 566800 -16.8715 56.2985 -24.8457 56.2983 49.0978 181.682 -24.8454 181.684 103.911 GPRESSURE: 566800 65.4277 -1.54266 -49.2265 30.4074 49.9877 150.887 -83.5335 105.291 112.017 PRESSAVG: 566800 -4.83048 -15.3776 14.4797 -15.3776 57.471 48.7346 14.4797 48.7348 -51.1951 GPRESSAVG: 566800 -4.5161 -12.6844 14.0402 -17.7139 58.2197 46.9768 14.7726 48.2511 -52.1979 TIMING: 566800 CPU: 1638.13, 0.00289461/step Wall: 1638.13, 0.00289461/step, 3.56455 hours remaining, 206.003906 MB of memory in use. ENERGY: 566800 767.9087 2139.6903 1933.0338 117.2827 -205848.8241 17801.2740 0.0000 0.0000 34326.0069 -148763.6277 299.7776 -183089.6346 -148675.7334 300.1617 45.3790 75.8107 557448.5864 0.4818 0.5019 PRESSURE: 567000 -47.0721 103.278 -72.8152 103.278 123.293 18.3753 -72.8158 18.3767 71.034 GPRESSURE: 567000 -21.4199 100.013 -22.7949 137.821 121.749 -35.9313 -28.4064 86.3134 135.295 PRESSAVG: 567000 10.8129 6.96416 5.40596 6.96416 10.8276 13.9145 5.40587 13.9145 -31.8244 GPRESSAVG: 567000 11.7062 6.21321 6.1961 8.88769 9.87027 14.3604 4.57367 15.5015 -31.7507 TIMING: 567000 CPU: 1638.71, 0.00289282/step Wall: 1638.71, 0.00289282/step, 3.56219 hours remaining, 206.003906 MB of memory in use. ENERGY: 567000 732.6591 2115.7378 1953.6173 121.8901 -205963.1417 17919.1451 0.0000 0.0000 34292.0588 -148828.0336 299.4811 -183120.0924 -148726.0569 300.2799 49.0851 78.5415 558298.9676 -3.3946 -3.3914 PRESSURE: 567200 -93.763 -34.8195 80.2728 -34.819 -65.5499 163.396 80.2726 163.395 321.074 GPRESSURE: 567200 -58.661 -7.8137 84.8766 -61.3426 -26.9125 154.195 67.4328 162.122 338.604 PRESSAVG: 567200 -84.423 27.7919 26.6556 27.792 51.6626 48.6627 26.6554 48.6628 25.5893 GPRESSAVG: 567200 -84.8257 28.5811 23.9073 26.3585 51.795 50.5566 28.5259 48.5063 25.7118 TIMING: 567200 CPU: 1639.29, 0.00288552/step Wall: 1639.29, 0.00288552/step, 3.55304 hours remaining, 206.003906 MB of memory in use. ENERGY: 567200 739.2693 2110.1959 1958.9404 115.7823 -205995.0337 17844.2484 0.0000 0.0000 34317.1040 -148909.4934 299.6998 -183226.5974 -148813.0602 300.3930 53.9204 84.3434 557980.7253 -2.3904 -2.4396 PRESSURE: 567400 -386.757 -154.287 116.387 -154.287 118.472 -74.8417 116.387 -74.8452 -80.7391 GPRESSURE: 567400 -302.328 -127.764 135.344 -138.259 96.1981 -29.5636 35.2499 -95.5928 -48.5583 PRESSAVG: 567400 -43.5247 15.8485 -10.9393 15.8485 -19.3448 7.40993 -10.9393 7.40998 59.6167 GPRESSAVG: 567400 -43.3731 14.5031 -10.3106 16.7167 -18.7916 4.11259 -12.8949 7.68603 58.9466 TIMING: 567400 CPU: 1639.87, 0.00290023/step Wall: 1639.87, 0.00290023/step, 3.57099 hours remaining, 206.003906 MB of memory in use. ENERGY: 567400 757.9908 2137.8783 1954.5099 118.9596 -206039.4041 17720.7963 0.0000 0.0000 34444.8880 -148904.3813 300.8158 -183349.2693 -148806.8239 300.0095 -116.3415 -84.8960 559289.8329 -1.0843 -1.0727 PRESSURE: 567600 225.998 -21.5168 -80.2369 -21.5173 -204.83 106.368 -80.2365 106.367 29.8572 GPRESSURE: 567600 326.149 -4.55523 4.92131 -56.4334 -194.588 56.6736 -148.601 145.378 22.5264 PRESSAVG: 567600 -5.03904 -1.5772 39.2357 -1.57727 0.279016 -11.0869 39.2356 -11.0868 93.0617 GPRESSAVG: 567600 -4.32993 -1.71557 40.4244 -1.8592 0.117208 -10.7792 39.8418 -9.70023 92.3405 TIMING: 567600 CPU: 1640.45, 0.00290641/step Wall: 1640.45, 0.00290641/step, 3.57844 hours remaining, 206.003906 MB of memory in use. ENERGY: 567600 757.9807 2094.0070 1952.3074 116.2010 -206364.2119 18137.5630 0.0000 0.0000 34303.3624 -149002.7905 299.5798 -183306.1528 -148907.7298 299.6828 17.0084 51.3624 557779.0560 29.4339 29.3759 PRESSURE: 567800 -196.349 194.283 26.0362 194.283 -278.397 120.106 26.0366 120.106 38.0295 GPRESSURE: 567800 -265.071 188.669 93.3394 200.95 -192.214 131.594 76.6966 109.615 113.708 PRESSAVG: 567800 8.83656 -16.9815 -20.6205 -16.9815 -37.1245 23.219 -20.6205 23.219 1.3233 GPRESSAVG: 567800 8.24646 -17.2367 -21.2687 -16.8423 -37.1007 24.116 -19.1978 23.2162 2.33784 TIMING: 567800 CPU: 1641.03, 0.0029277/step Wall: 1641.03, 0.0029277/step, 3.60448 hours remaining, 206.003906 MB of memory in use. ENERGY: 567800 708.9014 2107.4222 1950.2191 109.0509 -205568.9209 17396.4668 0.0000 0.0000 34358.3996 -148938.4609 300.0604 -183296.8605 -148840.1540 299.4703 -145.5722 -114.5256 558246.6982 -8.9882 -8.8388 PRESSURE: 568000 -54.4121 125.611 137.927 125.611 -15.1521 25.9921 137.926 25.9914 -35.9117 GPRESSURE: 568000 -20.3194 78.357 128.303 84.8175 -7.60107 73.2838 116.073 -22.1022 26.5799 PRESSAVG: 568000 42.3565 12.1853 61.7686 12.1853 -20.7001 70.5142 61.7687 70.5143 -1.77926 GPRESSAVG: 568000 43.6994 14.2057 60.6232 11.7944 -21.49 69.8216 61.3197 68.9663 -2.11235 TIMING: 568000 CPU: 1641.61, 0.00291243/step Wall: 1641.61, 0.00291243/step, 3.58552 hours remaining, 206.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 568000 729.9110 2078.3794 1972.4897 111.0070 -206113.4639 17783.0867 0.0000 0.0000 34496.6575 -148941.9327 301.2679 -183438.5902 -148847.7528 300.2053 -35.1586 -0.4469 557685.2732 6.6257 6.6990 PRESSURE: 568200 -274.595 33.1604 277.161 33.1609 -73.5412 14.2113 277.16 14.2113 -307.115 GPRESSURE: 568200 -254.532 88.8652 264.763 41.5443 -37.6259 -5.94315 282.014 54.0566 -267.332 PRESSAVG: 568200 10.6767 -21.5154 11.3619 -21.5154 66.4449 1.3342 11.3618 1.33419 -51.3432 GPRESSAVG: 568200 10.1224 -23.7783 11.0538 -20.5134 66.0923 1.3433 11.5324 1.20907 -50.4567 TIMING: 568200 CPU: 1642.19, 0.00290042/step Wall: 1642.19, 0.00290042/step, 3.57058 hours remaining, 206.003906 MB of memory in use. ENERGY: 568200 727.1907 2053.9120 1953.0866 110.8892 -205999.9037 17787.2966 0.0000 0.0000 34381.7974 -148985.7312 300.2648 -183367.5286 -148887.8576 300.2988 -218.4171 -186.4968 559843.1521 8.5928 8.5860 LDB: ============= START OF LOAD BALANCING ============== 1645.58 LDB: ============== END OF LOAD BALANCING =============== 1645.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1645.58 LDB: ============= START OF LOAD BALANCING ============== 1645.87 LDB: Largest compute 4822 load 0.030364 is 25.8% of average load 0.117796 LDB: Average compute 0.001729 is 1.5% of average load 0.117796 LDB: TIME 1645.87 LOAD: AVG 0.117796 MAX 0.180668 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.441 MB LDB: TIME 1645.87 LOAD: AVG 0.117796 MAX 0.180668 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 1645.87 LOAD: AVG 0.117796 MAX 0.180668 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: ============== END OF LOAD BALANCING =============== 1645.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1645.88 PRESSURE: 568400 -113.42 -68.238 -42.0644 -68.2378 0.856327 104.039 -42.0645 104.039 39.7227 GPRESSURE: 568400 -12.3811 8.82208 -68.9089 -87.6519 17.7634 204.882 -3.0594 35.4288 17.3964 PRESSAVG: 568400 -92.7447 -18.7416 26.3461 -18.7417 70.5535 61.0792 26.3461 61.0792 16.4462 GPRESSAVG: 568400 -93.753 -17.8625 27.1736 -20.0862 70.7871 62.6733 26.2407 61.9635 16.9957 TIMING: 568400 CPU: 1642.78, 0.00294902/step Wall: 1642.78, 0.00294902/step, 3.63025 hours remaining, 208.437500 MB of memory in use. ENERGY: 568400 771.5516 2060.1868 1926.5548 123.7146 -206218.9988 17949.4943 0.0000 0.0000 34297.6358 -149089.8609 299.5298 -183387.4967 -148997.9865 299.7936 -24.2804 7.5929 559496.9611 -1.9150 -1.9901 PRESSURE: 568600 -187.173 126.501 28.7141 126.503 93.1889 231.536 28.7143 231.535 -35.9242 GPRESSURE: 568600 -183.736 174.907 38.7674 78.0969 173.425 241.657 4.13256 129.807 -25.1344 PRESSAVG: 568600 -4.21539 -31.0789 -19.7191 -31.079 65.5386 19.493 -19.7191 19.493 2.95913 GPRESSAVG: 568600 -3.70243 -32.9417 -19.9296 -30.3822 65.1962 18.9967 -18.8603 18.7824 3.3436 TIMING: 568600 CPU: 1643.36, 0.00289123/step Wall: 1643.36, 0.00289123/step, 3.55895 hours remaining, 208.640625 MB of memory in use. ENERGY: 568600 746.1840 2086.6174 1948.5348 106.5257 -205789.8228 17657.6970 0.0000 0.0000 33973.3567 -149270.9072 296.6978 -183244.2639 -149175.2111 299.3981 -43.3027 -11.8150 557308.1311 21.4275 21.6124 PRESSURE: 568800 -133.236 -75.8498 40.308 -75.8497 -28.3963 32.5495 40.3077 32.5501 -179.308 GPRESSURE: 568800 -130.042 -54.4742 1.67022 -38.492 -10.985 76.0443 127.092 -13.1028 -102.445 PRESSAVG: 568800 -12.9292 -6.54574 10.3906 -6.54573 78.9396 10.4346 10.3906 10.4345 -45.3516 GPRESSAVG: 568800 -13.5224 -4.88562 9.61655 -6.60228 79.3052 10.3378 9.38133 10.3364 -45.5776 TIMING: 568800 CPU: 1643.94, 0.00289592/step Wall: 1643.94, 0.00289592/step, 3.56456 hours remaining, 208.640625 MB of memory in use. ENERGY: 568800 753.7505 2089.6403 1979.5778 100.9264 -205997.3981 17704.2645 0.0000 0.0000 34081.2296 -149288.0090 297.6399 -183369.2387 -149192.5982 298.7050 -113.6468 -81.1573 558787.8117 6.8863 6.7351 PRESSURE: 569000 43.9794 -97.6736 -28.3817 -97.675 320.325 140.522 -28.3819 140.522 44.1034 GPRESSURE: 569000 120.22 -139.004 -6.29527 -98.9721 305.711 68.7038 -125.636 164.821 57.0799 PRESSAVG: 569000 -22.4455 -5.90587 -32.6207 -5.90585 -5.94104 4.79539 -32.6207 4.79529 29.7186 GPRESSAVG: 569000 -22.4133 -5.89248 -32.844 -5.27486 -6.53412 5.71889 -31.387 4.0171 29.7056 TIMING: 569000 CPU: 1644.53, 0.00291803/step Wall: 1644.53, 0.00291803/step, 3.5916 hours remaining, 208.640625 MB of memory in use. ENERGY: 569000 721.3727 2025.9625 1949.9592 111.9356 -206206.1174 17917.8453 0.0000 0.0000 34304.5167 -149174.5256 299.5899 -183479.0423 -149079.2206 299.0323 136.1358 161.0037 557477.1446 0.4440 0.2527 PRESSURE: 569200 303.516 -53.1942 -93.6164 -53.1939 -37.4243 25.0653 -93.6156 25.0647 120.62 GPRESSURE: 569200 324.156 23.2629 -54.8458 -145.718 15.2905 41.9688 -100.05 40.8689 143.313 PRESSAVG: 569200 30.8201 -21.3684 43.9692 -21.3683 -7.35483 -9.78586 43.9692 -9.78572 -15.7989 GPRESSAVG: 569200 31.4249 -23.3928 44.6081 -22.7545 -8.14985 -8.21825 43.0012 -9.80607 -15.8209 TIMING: 569200 CPU: 1645.11, 0.00292956/step Wall: 1645.11, 0.00292956/step, 3.60563 hours remaining, 208.640625 MB of memory in use. ENERGY: 569200 732.1818 2082.7471 1929.6005 106.5367 -206029.1794 17985.8718 0.0000 0.0000 34111.1652 -149081.0763 297.9013 -183192.2415 -148993.1641 299.3375 128.9041 160.9199 557147.2040 2.5555 2.4847 PRESSURE: 569400 65.0507 -21.005 -95.7046 -21.0043 -3.2449 -21.3167 -95.7047 -21.3157 152.099 GPRESSURE: 569400 115.534 -82.0443 -215.069 92.4841 -29.6113 3.65198 -30.9845 -49.6751 224.704 PRESSAVG: 569400 -6.28793 -51.6221 -15.3034 -51.6221 33.6417 33.9097 -15.3034 33.9098 -30.193 GPRESSAVG: 569400 -6.44936 -47.6741 -14.9999 -52.6369 34.0442 33.8693 -14.4744 33.9972 -30.3372 TIMING: 569400 CPU: 1645.7, 0.00293679/step Wall: 1645.7, 0.0029368/step, 3.61438 hours remaining, 208.640625 MB of memory in use. ENERGY: 569400 731.8548 2093.6451 1952.0663 116.6656 -206188.2441 17791.4954 0.0000 0.0000 34395.7474 -149106.7696 300.3866 -183502.5170 -149013.1618 298.9230 71.3017 103.5423 555522.8072 -0.9464 -0.9141 PRESSURE: 569600 -71.6237 -38.7883 -6.23717 -38.7868 303.774 26.6401 -6.23661 26.6386 -109.395 GPRESSURE: 569600 -7.07901 28.8327 -18.2695 -113.077 306.374 30.6413 37.0899 -15.736 -83.1163 PRESSAVG: 569600 -31.1267 -49.6418 -15.8081 -49.6418 65.1801 -5.07733 -15.8082 -5.07744 -4.90709 GPRESSAVG: 569600 -31.1564 -51.7591 -15.4957 -48.3666 65.1624 -8.30711 -17.1528 -4.32294 -5.04504 TIMING: 569600 CPU: 1646.28, 0.00291808/step Wall: 1646.28, 0.00291808/step, 3.59119 hours remaining, 208.640625 MB of memory in use. ENERGY: 569600 763.6967 2064.8412 1979.0210 105.9499 -206280.0910 17957.2846 0.0000 0.0000 34370.6481 -149038.6494 300.1674 -183409.2976 -148933.7244 299.7593 40.9183 72.0597 557108.3645 9.7154 9.6536 PRESSURE: 569800 -55.7001 79.9091 24.4158 79.9087 -90.4788 -23.27 24.4153 -23.2715 11.4491 GPRESSURE: 569800 22.6979 -30.1208 24.9074 167.463 -94.0512 -49.5705 58.8203 -57.4158 29.6351 PRESSAVG: 569800 70.4111 -28.0184 -6.9287 -28.0185 26.301 -40.8072 -6.92867 -40.8072 -71.0294 GPRESSAVG: 569800 71.4336 -28.8565 -5.80967 -26.0294 26.2114 -39.437 -10.1714 -38.7228 -71.7678 TIMING: 569800 CPU: 1646.86, 0.00289739/step Wall: 1646.86, 0.00289739/step, 3.56556 hours remaining, 208.640625 MB of memory in use. ENERGY: 569800 707.3976 2053.2854 1931.4968 113.4359 -205712.4786 17585.1748 0.0000 0.0000 34368.1540 -148953.5342 300.1456 -183321.6882 -148861.1647 299.7381 -44.9099 -13.9061 558964.3466 8.5609 8.6257 PRESSURE: 570000 -184.587 -19.9897 46.2623 -19.9902 -347.898 -29.0836 46.2629 -29.0842 -222.529 GPRESSURE: 570000 -131.438 -74.5018 86.9499 43.3876 -337.981 -99.2224 115.164 -113.217 -176.698 PRESSAVG: 570000 50.5589 2.90887 16.1474 2.90882 13.2575 27.0758 16.1475 27.0758 -86.3418 GPRESSAVG: 570000 49.7475 3.6493 13.4554 2.40739 13.464 26.4318 20.4183 23.206 -86.2638 TIMING: 570000 CPU: 1647.44, 0.00290589/step Wall: 1647.44, 0.00290589/step, 3.57586 hours remaining, 208.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 570000 733.5277 2058.6452 1957.8233 113.2838 -205884.0064 17565.5155 0.0000 0.0000 34449.8645 -149005.3463 300.8592 -183455.2107 -148907.2321 299.4333 -251.6711 -215.3721 558644.0578 -7.5085 -7.6841 PRESSURE: 570200 171.358 -34.9646 -117.592 -34.9659 -92.1304 40.5159 -117.593 40.5161 -308.446 GPRESSURE: 570200 185.047 -54.7251 -84.9785 38.838 -76.7037 8.57678 -134.827 119.497 -248.001 PRESSAVG: 570200 51.404 -7.1695 42.8225 -7.16944 -42.4992 -52.623 42.8225 -52.6229 -49.2809 GPRESSAVG: 570200 50.0158 -6.42223 43.1195 -8.07446 -42.6443 -49.6638 42.6589 -51.3866 -47.7013 TIMING: 570200 CPU: 1648.02, 0.00289913/step Wall: 1648.02, 0.00289913/step, 3.56738 hours remaining, 208.640625 MB of memory in use. ENERGY: 570200 729.3286 2111.8290 1948.4497 99.5146 -205969.2869 17684.7497 0.0000 0.0000 34359.9129 -149035.5024 300.0737 -183395.4154 -148944.6517 299.7069 -76.4060 -46.5525 557971.1120 -13.4587 -13.4432 PRESSURE: 570400 -17.1424 -91.5702 -109.224 -91.57 -216.885 -224.917 -109.224 -224.916 -263.928 GPRESSURE: 570400 -5.2274 -56.5488 -90.717 -109.173 -182.174 -234.699 -137.308 -283.94 -223.587 PRESSAVG: 570400 81.4237 -33.9843 58.5787 -33.9844 -53.5178 27.8011 58.5787 27.801 -31.3822 GPRESSAVG: 570400 82.264 -36.0099 60.0832 -34.482 -53.5028 25.638 59.1668 28.9447 -32.3975 TIMING: 570400 CPU: 1648.6, 0.0028978/step Wall: 1648.6, 0.0028978/step, 3.56558 hours remaining, 208.640625 MB of memory in use. ENERGY: 570400 748.6057 2102.4312 1969.0917 93.4213 -206135.0113 17662.6887 0.0000 0.0000 34442.5003 -149116.2724 300.7949 -183558.7727 -149009.2220 300.3933 -165.9850 -136.9962 557121.3564 -1.1588 -1.2121 PRESSURE: 570600 -244.034 -65.1396 25.1232 -65.14 49.3122 -10.9252 25.1239 -10.9243 -462.521 GPRESSURE: 570600 -244.372 -106.594 44.5973 -46.435 74.8262 18.0253 -0.355352 53.1594 -399.379 PRESSAVG: 570600 98.3786 -43.0245 -21.8059 -43.0245 -134.092 -48.084 -21.8059 -48.0841 29.3927 GPRESSAVG: 570600 98.4676 -44.1961 -22.6465 -43.3232 -133.408 -48.4422 -23.2116 -49.5654 28.7684 TIMING: 570600 CPU: 1649.18, 0.0029088/step Wall: 1649.18, 0.0029088/step, 3.57896 hours remaining, 208.640625 MB of memory in use. ENERGY: 570600 792.3163 2055.2517 1928.0058 116.4681 -206194.1621 17720.2371 0.0000 0.0000 34355.2775 -149226.6058 300.0332 -183581.8832 -149126.1325 299.8687 -219.0808 -189.6417 558327.2901 -2.1070 -2.0573 PRESSURE: 570800 -194.614 -55.7158 -137.194 -55.7154 -28.3993 -76.8811 -137.193 -76.8796 -242.946 GPRESSURE: 570800 -165.766 42.0962 -136.939 -40.4605 -27.3171 -83.1881 -186.833 -54.1936 -189.091 PRESSAVG: 570800 -32.7494 -7.52004 2.50665 -7.52002 66.8217 -15.8446 2.50662 -15.8446 -0.162967 GPRESSAVG: 570800 -32.8327 -5.0427 2.06789 -7.49811 66.3504 -15.1897 3.79177 -15.5753 0.609182 TIMING: 570800 CPU: 1649.77, 0.00290671/step Wall: 1649.77, 0.00290671/step, 3.57623 hours remaining, 208.640625 MB of memory in use. ENERGY: 570800 729.5284 2141.9934 1953.4096 110.9481 -205715.3859 17355.3791 0.0000 0.0000 34230.2979 -149193.8294 298.9417 -183424.1273 -149096.9238 299.2451 -155.3199 -127.3915 557775.1541 11.3031 11.3756 PRESSURE: 571000 -153.602 148.144 -17.122 148.144 -67.9853 -19.5598 -17.122 -19.5612 -145.685 GPRESSURE: 571000 -72.8235 160.28 33.9945 124.741 -51.0625 -67.52 -55.6176 41.6914 -144.867 PRESSAVG: 571000 -24.5959 12.6302 53.2776 12.6301 13.0526 -46.9727 53.2776 -46.9725 50.4153 GPRESSAVG: 571000 -25.4705 10.9695 53.4615 12.2522 13.4822 -47.2053 52.2689 -46.4031 51.085 TIMING: 571000 CPU: 1650.35, 0.00290039/step Wall: 1650.35, 0.00290039/step, 3.56829 hours remaining, 208.640625 MB of memory in use. ENERGY: 571000 733.3626 2073.6528 1948.4669 126.8665 -206051.2383 17485.0359 0.0000 0.0000 34278.8412 -149405.0124 299.3656 -183683.8536 -149305.9551 299.0259 -122.4239 -89.5843 557320.7332 12.9573 13.0322 PRESSURE: 571200 -98.133 -22.1353 -149.593 -22.1348 -75.0557 -89.3279 -149.592 -89.328 199.513 GPRESSURE: 571200 -32.8342 -14.3413 -95.4625 -77.544 -6.41074 -118.09 -218.963 -64.6219 163.669 PRESSAVG: 571200 5.59986 -1.26692 -3.88646 -1.26697 -31.6112 -91.5651 -3.88639 -91.5651 53.8732 GPRESSAVG: 571200 5.69158 0.0183589 -5.09862 -1.81519 -31.1835 -90.9653 -3.50653 -92.0073 53.1102 TIMING: 571200 CPU: 1650.93, 0.00290891/step Wall: 1650.93, 0.00290891/step, 3.5786 hours remaining, 208.640625 MB of memory in use. ENERGY: 571200 770.7614 2091.8493 1947.8157 115.1461 -206715.3414 17919.2237 0.0000 0.0000 34366.4843 -149504.0609 300.1311 -183870.5452 -149410.5534 298.8398 8.7748 41.4746 556444.8238 9.2873 9.2061 PRESSURE: 571400 -119.997 136.416 60.542 136.417 220.602 172.398 60.5422 172.398 -10.5391 GPRESSURE: 571400 -126.238 66.4862 49.0867 148.422 262.317 188.324 29.2447 154.759 46.5448 PRESSAVG: 571400 -53.7286 -9.36691 -31.2763 -9.36702 -12.6588 -12.8548 -31.2763 -12.8547 39.7034 GPRESSAVG: 571400 -54.7908 -10.7373 -30.0287 -8.80156 -12.4299 -13.4963 -32.169 -12.1865 40.8015 TIMING: 571400 CPU: 1651.51, 0.00291615/step Wall: 1651.51, 0.00291615/step, 3.58736 hours remaining, 208.640625 MB of memory in use. ENERGY: 571400 733.5903 2037.2499 1958.9666 111.8110 -206614.2490 17983.7334 0.0000 0.0000 34225.5181 -149563.3797 298.9000 -183788.8978 -149458.9260 298.8950 30.0220 60.8748 556727.6671 -8.8947 -8.8064 PRESSURE: 571600 34.9457 -149.163 57.8252 -149.161 -53.5392 15.8509 57.8241 15.851 96.2531 GPRESSURE: 571600 46.722 -183.517 65.4744 -98.7378 34.5165 -58.1595 131.325 90.0313 85.1263 PRESSAVG: 571600 -0.285334 7.72821 50.279 7.72824 34.6051 37.8222 50.2789 37.8222 11.5579 GPRESSAVG: 571600 -0.0406834 8.77018 50.0291 8.07495 34.4149 38.7335 50.3791 37.0315 10.9375 TIMING: 571600 CPU: 1652.1, 0.00293738/step Wall: 1652.1, 0.00293738/step, 3.61331 hours remaining, 208.640625 MB of memory in use. ENERGY: 571600 752.6302 2080.0905 1959.3259 116.4867 -206313.3863 17797.3037 0.0000 0.0000 34205.4570 -149402.0923 298.7248 -183607.5493 -149303.3157 298.4516 25.8865 55.4549 556061.2071 15.2926 15.1039 PRESSURE: 571800 -59.3217 -17.1906 -172.642 -17.1901 -74.8743 31.4046 -172.642 31.4058 232.774 GPRESSURE: 571800 -37.9917 -56.7447 -120.164 10.4495 -29.1043 -7.70359 -122.922 76.1561 249.41 PRESSAVG: 571800 0.116565 -11.2945 -24.5614 -11.2945 -33.4441 -51.7284 -24.5614 -51.7283 2.2286 GPRESSAVG: 571800 1.17304 -10.277 -23.9953 -10.1362 -32.7563 -51.8082 -23.8143 -51.3539 0.961382 TIMING: 571800 CPU: 1652.68, 0.00291429/step Wall: 1652.68, 0.00291429/step, 3.58473 hours remaining, 208.640625 MB of memory in use. ENERGY: 571800 745.1173 2097.1234 1962.4145 118.4314 -206369.6598 17890.5327 0.0000 0.0000 34366.4093 -149189.6312 300.1304 -183556.0404 -149094.1431 299.3546 32.8595 60.7712 557931.5406 -10.3663 -10.2073 PRESSURE: 572000 95.4533 -101.214 118.155 -101.213 -205.813 162.53 118.154 162.53 -58.8426 GPRESSURE: 572000 95.7961 -121.359 24.2981 -94.7384 -145.567 169.984 61.9944 184.9 -10.2214 PRESSAVG: 572000 -1.30709 -15.9099 -80.6122 -15.9099 -22.8539 21.1449 -80.6123 21.145 38.5389 GPRESSAVG: 572000 -2.34209 -17.4142 -80.9533 -17.7425 -22.8733 19.4274 -80.4769 20.3683 39.7183 TIMING: 572000 CPU: 1653.26, 0.00291655/step Wall: 1653.26, 0.00291655/step, 3.58736 hours remaining, 208.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 572000 726.7822 2123.2506 1952.9656 118.0114 -205955.5653 17715.4325 0.0000 0.0000 34373.5855 -148945.5375 300.1931 -183319.1230 -148854.1490 300.0156 -56.4008 -19.9974 558102.6279 4.7926 4.8343 PRESSURE: 572200 200.542 -217.656 210.851 -217.657 -93.662 129.963 210.851 129.961 -123.053 GPRESSURE: 572200 212.663 -210.419 124.032 -176.224 -69.6957 44.4481 244.535 75.9174 -62.9814 PRESSAVG: 572200 -24.4706 21.2858 27.5822 21.2858 -54.6566 -6.57066 27.5822 -6.5707 59.1302 GPRESSAVG: 572200 -23.657 22.4342 27.3543 22.5447 -55.5194 -4.41754 27.519 -7.24566 59.0481 TIMING: 572200 CPU: 1653.85, 0.0029307/step Wall: 1653.85, 0.0029307/step, 3.6046 hours remaining, 208.640625 MB of memory in use. ENERGY: 572200 734.4367 2156.4684 1955.3673 126.2183 -206387.8789 17984.7755 0.0000 0.0000 34344.2724 -149086.3402 299.9371 -183430.6126 -148996.0369 299.7973 -5.3910 26.6621 557284.3189 -6.6657 -6.7094 LDB: ============= START OF LOAD BALANCING ============== 1657.24 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1657.24 LDB: =============== DONE WITH MIGRATION ================ 1657.24 LDB: ============= START OF LOAD BALANCING ============== 1657.53 LDB: Largest compute 4822 load 0.030814 is 26.1% of average load 0.117885 LDB: Average compute 0.001724 is 1.5% of average load 0.117885 LDB: TIME 1657.53 LOAD: AVG 0.117885 MAX 0.180214 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.863 MB LDB: TIME 1657.53 LOAD: AVG 0.117885 MAX 0.180214 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.926 MB LDB: TIME 1657.53 LOAD: AVG 0.117885 MAX 0.180214 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.926 MB LDB: ============== END OF LOAD BALANCING =============== 1657.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1657.54 PRESSURE: 572400 44.4691 -3.20133 88.5751 -3.2 301.392 29.7114 88.5747 29.7116 104.129 GPRESSURE: 572400 48.9828 -44.9515 93.1874 18.6251 336.624 96.2491 42.8624 30.254 156.708 PRESSAVG: 572400 -63.524 60.6095 -14.4656 60.6095 58.7872 42.9758 -14.4656 42.9756 33.8883 GPRESSAVG: 572400 -63.1639 61.1948 -13.5398 58.6908 58.1048 41.5695 -14.3188 42.9231 34.1402 TIMING: 572400 CPU: 1654.44, 0.00296384/step Wall: 1654.44, 0.00296384/step, 3.6452 hours remaining, 205.808594 MB of memory in use. ENERGY: 572400 716.0167 2110.0250 1958.7826 118.6441 -206280.7987 17961.4555 0.0000 0.0000 34242.4491 -149173.4257 299.0478 -183415.8748 -149071.6524 299.5327 149.9965 180.7716 556054.5717 9.7172 9.6937 PRESSURE: 572600 92.0974 -59.032 -16.1361 -59.0326 127.636 57.2391 -16.136 57.2403 -0.345569 GPRESSURE: 572600 73.9646 -54.0665 69.9524 -89.6835 178.254 -16.6465 -68.8303 84.2117 64.0378 PRESSAVG: 572600 -24.1071 -18.5735 44.3552 -18.5733 33.5985 36.0941 44.3552 36.0941 10.9988 GPRESSAVG: 572600 -24.5119 -20.7261 42.7571 -16.0728 33.1075 36.594 44.9771 34.0429 11.5248 TIMING: 572600 CPU: 1655.02, 0.00289777/step Wall: 1655.02, 0.00289777/step, 3.56377 hours remaining, 205.808594 MB of memory in use. ENERGY: 572600 741.1342 2092.8630 1967.5215 123.0236 -205903.2178 17789.6984 0.0000 0.0000 34088.5612 -149100.4159 297.7039 -183188.9771 -149003.5807 300.2493 73.1293 105.4188 556767.5392 6.8301 6.7068 PRESSURE: 572800 112.656 -114.5 -183.226 -114.501 6.60772 -310.264 -183.226 -310.262 138.373 GPRESSURE: 572800 164.212 -13.7786 -185.936 -177.88 24.4408 -249.116 -80.2368 -291.44 161.695 PRESSAVG: 572800 -10.9091 8.87242 -1.78233 8.87238 12.9624 -15.7142 -1.78226 -15.7142 7.0051 GPRESSAVG: 572800 -10.4665 12.9411 -1.34151 6.55955 13.0401 -15.2613 -2.87743 -12.2133 6.52778 TIMING: 572800 CPU: 1655.6, 0.00290611/step Wall: 1655.6, 0.00290611/step, 3.57388 hours remaining, 205.808594 MB of memory in use. ENERGY: 572800 761.6031 2099.0730 1952.5340 119.1029 -206463.3866 17857.1744 0.0000 0.0000 34494.1053 -149179.7940 301.2456 -183673.8993 -149074.4573 299.9861 85.8788 116.7827 555008.8076 3.0195 3.0338 PRESSURE: 573000 -131.164 -146.8 -76.9819 -146.8 -44.9411 97.2559 -76.9826 97.2555 39.2801 GPRESSURE: 573000 -64.3154 -110.842 -51.7306 -214.443 -50.6992 21.7405 -62.196 124.748 67.898 PRESSAVG: 573000 11.9339 -58.8511 -21.8469 -58.8511 -34.5134 18.9388 -21.8468 18.9388 49.0622 GPRESSAVG: 573000 11.3597 -63.0469 -20.6561 -56.1134 -35.3006 17.7241 -21.6637 18.2991 49.7908 TIMING: 573000 CPU: 1656.19, 0.0029221/step Wall: 1656.19, 0.0029221/step, 3.59337 hours remaining, 205.808594 MB of memory in use. ENERGY: 573000 746.9909 2155.9727 1916.2906 116.2629 -205925.0364 17625.5253 0.0000 0.0000 34183.2556 -149180.7383 298.5309 -183363.9939 -149083.6872 299.3964 -45.6082 -15.7055 556450.4672 8.8276 8.6166 PRESSURE: 573200 129.096 90.0814 56.3557 90.0801 165.944 198.504 56.3558 198.505 50.1354 GPRESSURE: 573200 103.332 183.371 96.5372 -34.483 218.947 87.0587 36.1966 283.209 117.629 PRESSAVG: 573200 7.68044 -43.221 -30.5592 -43.221 9.04306 -7.55236 -30.5592 -7.55238 5.19909 GPRESSAVG: 573200 8.38411 -41.5873 -30.4549 -43.2145 9.62554 -7.62668 -28.3997 -6.2791 4.07417 TIMING: 573200 CPU: 1656.77, 0.0029288/step Wall: 1656.77, 0.0029288/step, 3.60145 hours remaining, 205.808594 MB of memory in use. ENERGY: 573200 724.8860 2095.0706 1940.5595 113.8152 -206104.4901 17894.0076 0.0000 0.0000 34292.4629 -149043.6883 299.4846 -183336.1512 -148951.1579 299.1254 115.0584 146.6362 557030.0816 7.3075 7.3613 PRESSURE: 573400 -32.1768 -199.884 93.4349 -199.885 -74.9718 -7.64835 93.4352 -7.6484 -134 GPRESSURE: 573400 -42.1227 -148.182 20.3944 -175.417 -25.5944 117.695 126.345 -95.7526 -74.928 PRESSAVG: 573400 -28.2367 -13.8047 -44.2391 -13.8047 47.3927 -28.5832 -44.2392 -28.5832 22.9546 GPRESSAVG: 573400 -29.1655 -13.0791 -44.1382 -14.9431 47.6339 -28.6919 -46.6625 -32.075 23.5609 TIMING: 573400 CPU: 1657.36, 0.00290636/step Wall: 1657.36, 0.00290636/step, 3.5737 hours remaining, 205.808594 MB of memory in use. ENERGY: 573400 772.2609 2067.3022 1964.2867 112.5623 -206106.6261 17787.3017 0.0000 0.0000 34219.6321 -149183.2802 298.8486 -183402.9123 -149090.9394 299.5140 -80.3829 -47.5484 557766.6534 14.0369 14.0097 PRESSURE: 573600 -166.858 -32.7324 -13.7045 -32.7313 -35.8186 -107.179 -13.7048 -107.178 -46.8625 GPRESSURE: 573600 -84.6678 -94.2701 8.96898 21.8058 -38.4998 -82.2818 10.536 -86.602 -36.0128 PRESSAVG: 573600 77.7961 -7.83965 -22.8094 -7.83962 -21.7682 7.12934 -22.8094 7.12925 -55.0781 GPRESSAVG: 573600 78.2538 -9.50865 -22.9617 -6.66757 -21.0203 8.00018 -20.4681 6.93132 -56.5261 TIMING: 573600 CPU: 1657.94, 0.00290583/step Wall: 1657.94, 0.00290583/step, 3.57288 hours remaining, 205.808594 MB of memory in use. ENERGY: 573600 749.7539 2059.6440 1936.6586 132.3611 -206179.6369 17703.1224 0.0000 0.0000 34384.5103 -149213.5865 300.2885 -183598.0969 -149112.7123 299.6013 -83.1796 -53.0601 557848.0466 0.3166 0.2358 PRESSURE: 573800 -0.815924 -23.5183 73.8124 -23.5184 35.3442 6.75412 73.8131 6.75373 -276.399 GPRESSURE: 573800 -1.6932 46.0266 62.7261 -34.8473 102.966 12.93 105.425 -47.7423 -263.326 PRESSAVG: 573800 -33.5343 -33.1091 56.873 -33.1091 32.323 -24.7595 56.873 -24.7595 -6.79696 GPRESSAVG: 573800 -34.3875 -32.6997 57.9053 -33.8015 32.0135 -26.6151 53.637 -21.7714 -7.21312 TIMING: 573800 CPU: 1658.51, 0.00288985/step Wall: 1658.51, 0.00288985/step, 3.55308 hours remaining, 205.808594 MB of memory in use. ENERGY: 573800 712.0008 2106.0719 1979.8726 118.4390 -206172.3472 17627.0492 0.0000 0.0000 34325.0289 -149303.8847 299.7690 -183628.9136 -149199.9754 298.5721 -80.6237 -54.0179 557720.5397 -2.6694 -3.1957 PRESSURE: 574000 50.4781 14.5784 154.527 14.5774 -315.035 107.27 154.527 107.27 -109.573 GPRESSURE: 574000 66.0492 24.5573 142.353 -36.4511 -279.141 41.8279 131.693 133.958 -67.5978 PRESSAVG: 574000 3.0836 -9.78433 -33.8969 -9.78436 -5.89191 19.102 -33.8969 19.1019 13.2535 GPRESSAVG: 574000 3.156 -10.0958 -34.2197 -8.97058 -7.27342 19.8971 -33.184 18.4831 13.7873 TIMING: 574000 CPU: 1659.09, 0.002898/step Wall: 1659.09, 0.002898/step, 3.56292 hours remaining, 205.808594 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: 574000 757.4944 2055.1681 1941.9376 130.6572 -205990.7348 17617.1678 0.0000 0.0000 34426.4994 -149061.8102 300.6552 -183488.3096 -148970.9241 299.6835 -124.7099 -93.5631 558317.8475 3.4817 3.2233 PRESSURE: 574200 -375.494 -164.206 -18.2462 -164.206 -275.324 59.7687 -18.2463 59.7711 179.6 GPRESSURE: 574200 -328.135 -172.172 43.6846 -121.394 -221.155 93.0065 -121.442 89.757 161.093 PRESSAVG: 574200 -67.0594 -3.32545 -5.89373 -3.32547 16.0779 14.931 -5.89375 14.9311 85.5285 GPRESSAVG: 574200 -67.2116 -4.65023 -6.24563 -3.31532 16.7236 14.0641 -5.4862 16.302 84.8836 TIMING: 574200 CPU: 1659.68, 0.00290681/step Wall: 1659.68, 0.00290681/step, 3.57361 hours remaining, 205.808594 MB of memory in use. ENERGY: 574200 712.3935 2087.1929 1973.7964 108.2136 -205731.3637 17409.1276 0.0000 0.0000 34129.1154 -149311.5244 298.0581 -183440.6397 -149215.7475 299.9744 -157.0729 -129.3991 557749.6227 11.5156 11.4652 PRESSURE: 574400 -63.6554 -145.294 -45.7696 -145.294 -141.71 -118.223 -45.7692 -118.223 -268.491 GPRESSURE: 574400 8.63069 -126.213 -10.4997 -47.8354 -89.4267 -119.286 -62.9368 -131.323 -286.722 PRESSAVG: 574400 12.4079 52.5884 -39.0137 52.5884 26.653 43.4219 -39.0136 43.4218 -68.4042 GPRESSAVG: 574400 12.7041 54.406 -39.2568 53.2743 27.12 44.6235 -38.9449 44.3807 -69.0955 TIMING: 574400 CPU: 1660.25, 0.00289213/step Wall: 1660.25, 0.00289213/step, 3.5554 hours remaining, 205.808594 MB of memory in use. ENERGY: 574400 748.6011 2057.0382 1958.4026 111.0091 -206028.8450 17708.0814 0.0000 0.0000 34151.7468 -149293.9658 298.2557 -183445.7126 -149199.5364 299.6279 -157.9521 -122.5060 557228.6842 -9.7811 -9.7571 PRESSURE: 574600 208.833 -146.121 48.5235 -146.123 -218.904 93.6536 48.524 93.6534 18.942 GPRESSURE: 574600 294.852 -98.716 18.3592 -58.0226 -234.217 106.252 19.5383 149.021 33.6325 PRESSAVG: 574600 84.8271 -25.287 -10.6852 -25.2869 -74.2374 10.585 -10.6853 10.5848 19.9326 GPRESSAVG: 574600 85.5291 -23.4696 -10.6517 -28.1772 -74.8845 11.811 -12.2845 9.21545 19.5927 TIMING: 574600 CPU: 1660.83, 0.0028991/step Wall: 1660.83, 0.0028991/step, 3.5638 hours remaining, 205.808594 MB of memory in use. ENERGY: 574600 768.3056 2004.7107 1945.0016 111.9812 -206526.2222 17937.7363 0.0000 0.0000 34285.7532 -149472.7337 299.4260 -183758.4869 -149371.0291 299.4129 2.9571 31.4225 556853.9166 10.1741 10.0791 PRESSURE: 574800 274.132 -29.7486 -43.3445 -29.75 161.308 98.1836 -43.3436 98.1834 -51.0342 GPRESSURE: 574800 304.564 -126.31 -152.794 0.468917 172.806 98.9128 -47.0755 99.3743 12.1549 PRESSAVG: 574800 58.3394 -6.55483 -45.3641 -6.55492 -18.163 50.9798 -45.3641 50.9799 -44.6485 GPRESSAVG: 574800 57.6396 -6.57245 -45.3661 -5.18305 -18.3826 51.9685 -43.6479 50.2195 -43.8899 TIMING: 574800 CPU: 1661.41, 0.00288046/step Wall: 1661.41, 0.00288046/step, 3.54072 hours remaining, 205.808594 MB of memory in use. ENERGY: 574800 732.4017 2065.3970 1953.6220 112.2504 -206871.1946 18245.0662 0.0000 0.0000 34297.9377 -149464.5195 299.5324 -183762.4573 -149366.0975 298.4079 128.1353 163.1750 556853.4239 -1.4907 -1.5443 PRESSURE: 575000 -166.303 -130.597 -161.989 -130.595 -69.2588 70.9592 -161.989 70.9579 -183.525 GPRESSURE: 575000 -61.83 -178.257 -30.7368 -54.9082 -64.139 114.053 -168.179 76.9352 -200.083 PRESSAVG: 575000 18.1592 -33.9523 -19.6173 -33.9524 51.1457 24.5801 -19.6173 24.58 -69.069 GPRESSAVG: 575000 18.2216 -34.8154 -19.5574 -32.6005 51.0762 25.867 -19.3986 23.8793 -68.9753 TIMING: 575000 CPU: 1661.99, 0.00288393/step Wall: 1661.99, 0.00288393/step, 3.54484 hours remaining, 205.808594 MB of memory in use. ENERGY: 575000 775.2039 2146.7715 1930.3522 108.1675 -206392.0311 17750.5683 0.0000 0.0000 34277.5495 -149403.4182 299.3544 -183680.9678 -149303.2688 298.9463 -139.6956 -108.6839 556303.1943 0.0786 0.1075 PRESSURE: 575200 -174.428 -151.886 -42.2112 -151.885 -235.147 94.8815 -42.2121 94.8828 -179.143 GPRESSURE: 575200 -187.527 -115.019 -143.607 -214.039 -198.057 -2.1126 85.9122 178.612 -101.978 PRESSAVG: 575200 5.05157 3.11625 -60.798 3.11621 39.491 60.8048 -60.798 60.805 -62.2001 GPRESSAVG: 575200 3.94486 2.43099 -59.7414 2.7644 39.7981 57.4589 -61.7429 60.2767 -61.4297 TIMING: 575200 CPU: 1662.57, 0.00290951/step Wall: 1662.57, 0.00290951/step, 3.57611 hours remaining, 205.941406 MB of memory in use. ENERGY: 575200 701.7649 2143.3254 1938.9683 114.0960 -206016.8665 17502.3328 0.0000 0.0000 34165.6773 -149450.7018 298.3774 -183616.3791 -149358.9721 299.1569 -196.2396 -162.5208 556793.1007 -5.8858 -5.8956 PRESSURE: 575400 186.619 30.6194 82.2585 30.62 -182.093 19.094 82.2601 19.0946 145.056 GPRESSURE: 575400 231.444 -44.7741 151.112 26.5596 -137.99 11.1157 58.0876 -2.7807 174.962 PRESSAVG: 575400 90.1313 -2.63443 19.9809 -2.63439 -16.7713 -9.88321 19.9809 -9.88315 -18.1907 GPRESSAVG: 575400 90.8642 -3.16928 19.7762 -4.61119 -15.5979 -8.70756 20.6649 -9.10014 -19.9417 TIMING: 575400 CPU: 1663.15, 0.002893/step Wall: 1663.15, 0.002893/step, 3.55566 hours remaining, 205.941406 MB of memory in use. ENERGY: 575400 734.8120 2091.9751 1946.9723 115.0408 -206400.1634 17956.6096 0.0000 0.0000 34165.3882 -149389.3653 298.3748 -183554.7535 -149300.2421 299.4760 49.8606 89.4718 556688.8757 18.3898 18.4415 PRESSURE: 575600 19.4636 222.231 -87.6383 222.232 -100.034 -14.2115 -87.6377 -14.2123 91.6733 GPRESSURE: 575600 32.3375 156.499 -125.787 218.823 -72.4546 41.3276 -75.6366 9.39216 150.17 PRESSAVG: 575600 4.44927 72.5854 -35.8471 72.5853 -29.409 -65.6757 -35.8471 -65.6758 27.6914 GPRESSAVG: 575600 3.78536 73.2706 -36.3822 71.5952 -29.1221 -66.9502 -36.4417 -62.8363 28.4101 TIMING: 575600 CPU: 1663.72, 0.00287923/step Wall: 1663.72, 0.00287923/step, 3.53857 hours remaining, 205.941406 MB of memory in use. ENERGY: 575600 718.4959 2057.9343 1965.2365 117.1980 -206464.0430 17923.7621 0.0000 0.0000 34348.7818 -149332.6344 299.9765 -183681.4162 -149235.0010 299.4000 3.7009 36.6842 557359.3551 0.9106 1.0245 PRESSURE: 575800 -167.006 90.8909 102.173 90.8911 -150.368 -49.4074 102.173 -49.4082 -133.938 GPRESSURE: 575800 -131.801 122.773 69.6796 37.9534 -120.821 -47.3277 108.541 -37.1904 -93.9427 PRESSAVG: 575800 36.551 94.3213 -46.1827 94.3215 -34.5583 -11.0641 -46.1826 -11.0641 -35.8355 GPRESSAVG: 575800 37.6187 94.0596 -46.8359 95.613 -35.8506 -11.6356 -46.7511 -12.5618 -34.9206 TIMING: 575800 CPU: 1664.3, 0.00287293/step Wall: 1664.3, 0.00287293/step, 3.53067 hours remaining, 205.941406 MB of memory in use. ENERGY: 575800 723.7479 2065.6760 1951.2544 120.4476 -206028.9047 17587.4239 0.0000 0.0000 34347.5779 -149232.7769 299.9659 -183580.3549 -149128.6984 299.4421 -150.4374 -115.5215 557246.1776 -11.2809 -11.0508 PRESSURE: 576000 87.5519 -56.5215 -91.5828 -56.5225 222.049 -69.1402 -91.5824 -69.1386 8.38186 GPRESSURE: 576000 106.053 -66.1681 -58.3081 -223.425 235.172 25.363 -81.8371 -175.543 80.6543 PRESSAVG: 576000 56.4598 57.2816 3.52922 57.2816 30.3847 0.505992 3.52918 0.505997 -31.6864 GPRESSAVG: 576000 56.7536 58.0472 4.73886 57.2595 31.572 2.31466 1.87271 0.221671 -33.3162 TIMING: 576000 CPU: 1664.87, 0.00288443/step Wall: 1664.87, 0.00288443/step, 3.54465 hours remaining, 205.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 576000 735.0512 2092.3490 1932.3587 119.7443 -206733.5618 18019.8940 0.0000 0.0000 34415.2887 -149418.8759 300.5573 -183834.1646 -149318.6672 299.6738 105.9941 140.6267 556657.9572 18.3860 18.3365 PRESSURE: 576200 -62.8473 -88.1506 -38.8307 -88.1523 74.1655 -111.239 -38.8299 -111.24 -122.451 GPRESSURE: 576200 -99.7008 -184.774 -78.4825 -88.0317 148.103 -17.823 59.646 -104.597 -66.1423 PRESSAVG: 576200 -61.9891 8.76432 0.601353 8.76426 62.302 62.9322 0.601364 62.9323 22.328 GPRESSAVG: 576200 -63.3053 8.14674 0.257269 10.168 62.3742 63.5855 2.72477 61.1841 23.2851 TIMING: 576200 CPU: 1665.46, 0.00292489/step Wall: 1665.46, 0.00292489/step, 3.59421 hours remaining, 205.941406 MB of memory in use. ENERGY: 576200 739.3774 2100.2166 1935.0537 111.2726 -206373.9193 17779.5530 0.0000 0.0000 34251.7643 -149456.6816 299.1292 -183708.4459 -149363.8030 299.1472 -37.0442 -5.9133 556267.0007 7.5469 7.4513 LDB: ============= START OF LOAD BALANCING ============== 1668.85 LDB: ============== END OF LOAD BALANCING =============== 1668.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1668.85 LDB: ============= START OF LOAD BALANCING ============== 1669.14 LDB: Largest compute 4822 load 0.030519 is 25.9% of average load 0.117734 LDB: Average compute 0.001729 is 1.5% of average load 0.117734 LDB: TIME 1669.14 LOAD: AVG 0.117734 MAX 0.182001 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 1669.14 LOAD: AVG 0.117734 MAX 0.182001 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 1669.14 LOAD: AVG 0.117734 MAX 0.182001 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1669.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1669.15 PRESSURE: 576400 -246.228 -31.9707 148.28 -31.9707 -117.619 -37.7949 148.279 -37.7946 -380.632 GPRESSURE: 576400 -190.345 12.6482 192.633 20.5662 -93.4676 -26.4704 120.475 -41.2067 -360.229 PRESSAVG: 576400 -59.2923 17.4986 -4.20859 17.4985 50.6155 7.48049 -4.20852 7.48054 12.21 GPRESSAVG: 576400 -58.9166 17.8756 -5.41246 16.2467 49.8635 7.0487 -5.76667 8.67351 12.4075 TIMING: 576400 CPU: 1666.05, 0.00297583/step Wall: 1666.05, 0.00297583/step, 3.65663 hours remaining, 206.851562 MB of memory in use. ENERGY: 576400 747.9790 2024.2038 1971.3504 105.3371 -206299.3849 17572.6253 0.0000 0.0000 34196.4095 -149681.4798 298.6457 -183877.8893 -149582.5334 298.5105 -248.1597 -214.6806 557231.9166 1.1777 1.1182 PRESSURE: 576600 -252.271 194.798 -77.4569 194.797 8.47932 59.4337 -77.4567 59.4333 -110.811 GPRESSURE: 576600 -245.32 109.27 -72.6543 267.664 -5.72519 67.4102 -53.4905 32.7662 -6.27583 PRESSAVG: 576600 -40.7041 79.1052 4.51305 79.1052 78.8067 11.4088 4.51303 11.4087 -48.6946 GPRESSAVG: 576600 -41.2004 79.0737 5.20228 81.6852 78.9628 12.303 5.0642 11.0288 -48.5709 TIMING: 576600 CPU: 1666.64, 0.00292159/step Wall: 1666.64, 0.00292159/step, 3.58982 hours remaining, 206.851562 MB of memory in use. ENERGY: 576600 738.5378 2106.7332 1959.6428 99.8369 -206145.6042 17653.4454 0.0000 0.0000 34166.6382 -149420.7700 298.3857 -183587.4082 -149328.7134 298.3300 -118.2011 -85.7736 557639.8979 -3.5306 -3.6028 PRESSURE: 576800 -31.2673 -4.57798 -102.194 -4.57726 -43.1992 106.202 -102.195 106.203 101.062 GPRESSURE: 576800 50.0468 -38.3816 -73.8304 13.7077 -51.2686 84.7899 -103.318 114.519 128.798 PRESSAVG: 576800 -83.0208 87.6739 -7.08495 87.6739 56.1535 10.1682 -7.08497 10.1682 24.363 GPRESSAVG: 576800 -82.3285 88.8659 -8.01839 85.0412 55.4187 7.77217 -5.1508 10.9048 24.6169 TIMING: 576800 CPU: 1667.22, 0.00292318/step Wall: 1667.22, 0.00292318/step, 3.59161 hours remaining, 206.851562 MB of memory in use. ENERGY: 576800 782.1905 2040.3927 1958.1441 116.8600 -206395.5304 17786.9570 0.0000 0.0000 34326.1415 -149384.8446 299.7787 -183710.9861 -149291.7514 298.6515 8.8652 42.5253 556281.0513 -0.8348 -0.7643 PRESSURE: 577000 0.395716 106.291 29.3283 106.29 -295.655 -133.85 29.3294 -133.85 -94.6258 GPRESSURE: 577000 -33.2621 25.982 -60.7178 179.022 -215.931 -147.144 57.7806 -134.764 -43.5311 PRESSAVG: 577000 -25.8959 17.2747 17.4811 17.2747 16.3558 24.8628 17.4811 24.863 14.7691 GPRESSAVG: 577000 -26.7215 17.1461 18.2663 16.6205 16.896 26.8654 15.4665 23.9807 15.3576 TIMING: 577000 CPU: 1667.81, 0.00291238/step Wall: 1667.81, 0.00291238/step, 3.57819 hours remaining, 206.851562 MB of memory in use. ENERGY: 577000 749.3192 2070.2488 1963.3608 115.8914 -206091.0320 17682.9895 0.0000 0.0000 34118.0214 -149391.2010 297.9612 -183509.2224 -149296.3219 298.6282 -129.9616 -97.5746 557196.9592 1.7430 1.8440 PRESSURE: 577200 -149.494 220.652 -83.0897 220.652 -64.3719 50.6215 -83.0889 50.6229 -99.8671 GPRESSURE: 577200 -99.2298 281.735 -68.0712 122.37 -21.6876 109.541 -139.599 88.2094 -115.238 PRESSAVG: 577200 -26.9532 15.8707 0.713137 15.8708 -7.07771 -33.1473 0.713171 -33.1473 -16.9129 GPRESSAVG: 577200 -26.041 14.8697 2.08275 14.6776 -7.02368 -32.0478 0.529619 -32.8216 -17.5994 TIMING: 577200 CPU: 1668.39, 0.00289864/step Wall: 1668.39, 0.00289864/step, 3.56115 hours remaining, 206.851562 MB of memory in use. ENERGY: 577200 724.0318 2101.0177 1924.6022 111.4897 -206084.6264 17575.3004 0.0000 0.0000 34290.9516 -149357.2331 299.4714 -183648.1848 -149263.5005 298.3531 -104.5775 -78.7185 556273.4338 -16.9813 -16.8880 PRESSURE: 577400 -26.9237 1.38784 -152.076 1.38783 -107.645 88.2131 -152.075 88.2123 199.041 GPRESSURE: 577400 9.55734 47.3779 -73.7696 -5.23785 -65.38 63.3154 -152.296 82.7648 209.986 PRESSAVG: 577400 -15.1727 10.3792 -4.95477 10.3792 21.8386 -23.3604 -4.95474 -23.3604 -5.10958 GPRESSAVG: 577400 -17.0071 12.0177 -4.76317 12.564 22.3719 -24.6179 -4.20818 -22.3293 -3.78868 TIMING: 577400 CPU: 1668.97, 0.00289717/step Wall: 1668.97, 0.00289717/step, 3.55917 hours remaining, 206.851562 MB of memory in use. ENERGY: 577400 710.7397 2043.7032 1953.9413 113.8884 -206143.4306 17627.1207 0.0000 0.0000 34203.2532 -149490.7841 298.7055 -183694.0373 -149388.1559 298.8977 21.4906 51.3878 556472.8781 0.5188 0.5254 PRESSURE: 577600 -43.0177 -13.156 96.9648 -13.1556 -33.0399 13.54 96.965 13.5399 250.394 GPRESSURE: 577600 -1.98651 0.4143 193.366 -18.8478 21.1953 -16.297 94.3893 20.8417 231.108 PRESSAVG: 577600 -21.5985 31.4451 -10.751 31.4451 -54.3779 -35.5215 -10.7509 -35.5214 95.4984 GPRESSAVG: 577600 -19.9155 30.4559 -11.1083 31.2699 -53.9088 -34.1242 -11.2951 -37.4335 93.5721 TIMING: 577600 CPU: 1669.54, 0.00289469/step Wall: 1669.54, 0.00289469/step, 3.55596 hours remaining, 206.851562 MB of memory in use. ENERGY: 577600 742.3020 2145.5827 1922.5578 103.8517 -206195.7018 17837.2090 0.0000 0.0000 34180.2018 -149263.9968 298.5042 -183444.1986 -149164.4572 299.2337 58.1121 83.4389 556645.4359 6.5073 6.5826 PRESSURE: 577800 -170.959 114.508 -11.9788 114.507 -84.3745 -26.5301 -11.979 -26.5282 -53.0324 GPRESSURE: 577800 -185.371 117.474 -71.2833 117.21 1.62232 22.6099 37.3645 -20.5387 -31.0404 PRESSAVG: 577800 -94.7627 116.64 -15.7295 116.64 6.50979 13.452 -15.7295 13.4521 77.1886 GPRESSAVG: 577800 -95.4173 115.963 -17.0972 115.989 6.85191 11.4234 -15.5493 15.6916 76.9969 TIMING: 577800 CPU: 1670.13, 0.00290667/step Wall: 1670.13, 0.00290667/step, 3.57052 hours remaining, 206.851562 MB of memory in use. ENERGY: 577800 765.4458 2039.0165 1932.3531 115.5264 -205893.8981 17591.9787 0.0000 0.0000 34270.5545 -149179.0232 299.2933 -183449.5776 -149076.4086 299.2496 -102.7888 -71.5963 558256.1468 -3.6881 -3.8562 PRESSURE: 578000 -308.187 160.16 -167.67 160.16 -223.525 86.1375 -167.669 86.1363 -55.1171 GPRESSURE: 578000 -281.79 90.082 -116.778 257.897 -195.993 114.383 -154.341 109.625 -17.6833 PRESSAVG: 578000 -24.1957 60.0362 -25.588 60.0362 2.80757 2.56558 -25.588 2.56554 -4.84621 GPRESSAVG: 578000 -24.5212 59.7871 -24.8989 60.0891 2.10259 1.46502 -25.6979 1.34007 -4.14996 TIMING: 578000 CPU: 1670.71, 0.00290956/step Wall: 1670.71, 0.00290956/step, 3.57391 hours remaining, 206.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 578000 758.0746 2079.4853 1945.4708 109.2887 -205692.5784 17501.6617 0.0000 0.0000 34149.9140 -149148.6831 298.2397 -183298.5972 -149046.9975 299.0560 -195.6095 -165.1552 558907.2821 -8.7448 -8.8562 PRESSURE: 578200 -377.2 208.978 48.5834 208.979 -122.624 5.64882 48.5837 5.65023 -323.361 GPRESSURE: 578200 -353.484 277.273 -31.0531 189.591 -90.048 10.1653 84.0982 53.8287 -282.201 PRESSAVG: 578200 14.3756 2.51103 -42.2802 2.51103 -27.7719 20.194 -42.2801 20.1942 9.95079 GPRESSAVG: 578200 13.9778 3.40481 -42.4356 1.00422 -27.4985 21.9915 -42.3235 21.6195 9.71616 TIMING: 578200 CPU: 1671.29, 0.00291846/step Wall: 1671.29, 0.00291846/step, 3.58468 hours remaining, 206.851562 MB of memory in use. ENERGY: 578200 769.8277 2086.6072 1946.5538 108.5799 -205698.6665 17436.3716 0.0000 0.0000 34203.8926 -149146.8336 298.7111 -183350.7262 -149048.6760 300.1456 -274.3948 -241.9111 558805.7063 -1.1485 -1.2682 PRESSURE: 578400 85.951 -89.2098 23.2176 -89.2094 256.045 -64.2813 23.2168 -64.2821 226.061 GPRESSURE: 578400 186.329 -143.604 45.3004 -18.0118 267.097 -78.8014 -18.4105 -98.0285 214.594 PRESSAVG: 578400 -10.5086 -17.8306 -28.4424 -17.8306 11.7356 33.8253 -28.4424 33.8253 -13.1996 GPRESSAVG: 578400 -10.6258 -19.5603 -28.0686 -16.1475 11.4964 33.2141 -28.2371 32.4248 -12.597 TIMING: 578400 CPU: 1671.87, 0.00290375/step Wall: 1671.87, 0.00290375/step, 3.56645 hours remaining, 207.054688 MB of memory in use. ENERGY: 578400 724.5799 2071.5879 1965.0698 119.4327 -206839.3616 18305.0133 0.0000 0.0000 34313.2507 -149340.4273 299.6662 -183653.6780 -149241.7014 299.4544 189.3522 222.6734 558176.5137 -3.9909 -3.9088 PRESSURE: 578600 25.4717 -141.726 -62.9281 -141.727 258.967 -33.7721 -62.9278 -33.7717 -422.988 GPRESSURE: 578600 17.8972 -228.691 -45.1121 -60.7903 290.989 69.4419 -113.266 -69.8662 -345.477 PRESSAVG: 578600 -5.77599 -2.38413 -0.933884 -2.38411 8.52907 -33.8035 -0.93388 -33.8035 -41.626 GPRESSAVG: 578600 -4.77556 -1.56402 -0.211879 -1.53762 8.22598 -33.421 -2.07194 -34.4117 -42.4586 TIMING: 578600 CPU: 1672.45, 0.00290504/step Wall: 1672.45, 0.00290504/step, 3.56788 hours remaining, 207.054688 MB of memory in use. ENERGY: 578600 734.1635 2080.0289 1929.1389 114.9809 -205879.5617 17692.5502 0.0000 0.0000 34306.4833 -149022.2160 299.6071 -183328.6993 -148925.1457 299.2150 -46.1831 -12.1967 558725.2997 -12.9577 -13.0027 PRESSURE: 578800 154.899 -30.512 -22.2556 -30.5118 96.6718 144.15 -22.2556 144.15 257.662 GPRESSURE: 578800 156.306 -15.6099 -46.6321 8.58511 165.889 102.644 -61.469 141.644 263.41 PRESSAVG: 578800 -43.0342 -38.4846 -20.3738 -38.4845 53.7333 -33.2322 -20.3738 -33.2323 10.2165 GPRESSAVG: 578800 -44.4978 -39.004 -21.5185 -39.8191 54.5209 -34.2208 -19.795 -31.6803 11.1144 TIMING: 578800 CPU: 1673.03, 0.00288882/step Wall: 1673.03, 0.00288882/step, 3.5478 hours remaining, 207.054688 MB of memory in use. ENERGY: 578800 709.1008 2066.1111 1937.4042 115.6157 -206352.5895 18077.4056 0.0000 0.0000 34349.0985 -149097.8535 299.9792 -183446.9520 -148997.3920 299.2397 169.7442 195.2014 558054.9254 6.9719 7.0458 PRESSURE: 579000 -286.142 135.856 -47.5968 135.856 185.68 -88.4265 -47.5984 -88.4264 -33.3624 GPRESSURE: 579000 -232.436 120.133 -106.294 182.404 248.298 -64.7948 129.083 -146.711 -45.0165 PRESSAVG: 579000 -50.2833 24.1486 9.10594 24.1486 3.09516 -56.7042 9.10586 -56.7043 48.8434 GPRESSAVG: 579000 -49.1294 25.5755 9.17352 23.6697 2.96034 -55.9281 10.8588 -58.6234 47.9097 TIMING: 579000 CPU: 1673.61, 0.0028766/step Wall: 1673.61, 0.0028766/step, 3.53263 hours remaining, 207.054688 MB of memory in use. ENERGY: 579000 746.3628 2025.7693 1948.5900 108.2230 -205664.4695 17556.6074 0.0000 0.0000 34314.8807 -148964.0364 299.6804 -183278.9171 -148861.5853 298.9413 -44.6082 -9.7180 557878.7636 0.5518 0.5802 PRESSURE: 579200 -313.41 -77.1433 -34.9419 -77.1423 -89.9217 -15.4978 -34.9426 -15.4978 -219.421 GPRESSURE: 579200 -302.82 -39.5642 9.35556 -107.907 -105.463 -7.45036 -13.3561 7.41664 -120.565 PRESSAVG: 579200 -20.2241 10.4783 -19.3529 10.4782 15.4105 -49.0613 -19.3529 -49.0613 39.6248 GPRESSAVG: 579200 -20.4152 9.28401 -19.1189 11.081 15.0083 -48.5624 -19.3044 -49.4533 39.8958 TIMING: 579200 CPU: 1674.19, 0.00290027/step Wall: 1674.19, 0.00290027/step, 3.56153 hours remaining, 207.054688 MB of memory in use. ENERGY: 579200 732.2582 2045.1936 1947.0719 119.8812 -205517.5501 17496.5550 0.0000 0.0000 34235.3537 -148941.2365 298.9859 -183176.5902 -148842.3110 298.8723 -207.5840 -176.2826 560133.5024 11.6037 11.4963 PRESSURE: 579400 -83.0299 178.662 208.553 178.664 -1.078 -9.6137 208.554 -9.61401 -264.288 GPRESSURE: 579400 -53.4307 255.67 115.135 42.486 -3.37819 -50.3263 222.748 4.8922 -217.831 PRESSAVG: 579400 -15.5036 24.5814 3.38019 24.5815 -1.65803 -2.62111 3.38027 -2.62102 -9.64675 GPRESSAVG: 579400 -17.1862 25.0763 1.34528 25.1561 -0.467394 -1.10561 4.20006 -1.91044 -9.03878 TIMING: 579400 CPU: 1674.77, 0.00291039/step Wall: 1674.77, 0.00291039/step, 3.5738 hours remaining, 207.054688 MB of memory in use. ENERGY: 579400 727.7406 2111.3943 1958.2335 109.5949 -205535.6182 17460.6654 0.0000 0.0000 34250.8172 -148917.1722 299.1209 -183167.9895 -148821.9214 299.8491 -116.1320 -91.5468 557863.8155 -8.9361 -8.8974 PRESSURE: 579600 -394.755 62.7273 112.286 62.7256 -97.4664 0.787014 112.287 0.78647 242.317 GPRESSURE: 579600 -370.47 72.531 140.615 167.642 -60.7402 -7.60215 63.74 -21.3323 269.565 PRESSAVG: 579600 5.4068 29.2945 45.7589 29.2944 -1.22555 55.2186 45.759 55.2185 2.40564 GPRESSAVG: 579600 4.87389 30.9051 49.0952 29.355 -2.19106 53.9013 42.0261 55.3004 3.19811 TIMING: 579600 CPU: 1675.35, 0.00289155/step Wall: 1675.35, 0.00289155/step, 3.5505 hours remaining, 207.054688 MB of memory in use. ENERGY: 579600 743.3207 2063.9415 1944.2333 118.5563 -205810.8569 17565.1896 0.0000 0.0000 34305.2868 -149070.3286 299.5966 -183375.6154 -148975.4890 300.1000 -83.3013 -53.8816 559281.5611 2.1956 1.9603 PRESSURE: 579800 -125.645 236.507 -9.64106 236.506 17.3275 219.114 -9.64079 219.113 26.7213 GPRESSURE: 579800 -106.337 168.063 -117.445 292.044 54.4393 192.881 -80.7798 130.662 73.3372 PRESSAVG: 579800 -50.3569 0.102559 57.5114 0.102528 63.3284 41.0979 57.5115 41.0978 -46.5808 GPRESSAVG: 579800 -49.9058 -2.27925 56.4524 1.63139 63.7587 39.1413 57.3411 41.784 -47.1949 TIMING: 579800 CPU: 1675.92, 0.0028886/step Wall: 1675.92, 0.0028886/step, 3.54673 hours remaining, 207.054688 MB of memory in use. ENERGY: 579800 741.5983 2072.5135 1926.3616 124.3297 -206442.9912 17924.0170 0.0000 0.0000 34434.6442 -149219.5269 300.7263 -183654.1711 -149119.0649 299.5717 -27.1989 7.1466 558544.7148 -11.2031 -11.1140 PRESSURE: 580000 -163.295 129.62 63.1419 129.619 -41.5711 -98.8453 63.1421 -98.845 -364.166 GPRESSURE: 580000 -129.655 96.697 11.6583 45.827 -64.5258 -185.38 54.1744 -19.5206 -280.916 PRESSAVG: 580000 39.3451 48.2198 -5.62383 48.2197 2.8825 -2.80626 -5.62368 -2.80622 -36.0794 GPRESSAVG: 580000 38.9807 49.6482 -6.16915 46.7739 2.6822 -0.328173 -4.05474 -4.69065 -35.4477 TIMING: 580000 CPU: 1676.5, 0.00289845/step Wall: 1676.5, 0.00289845/step, 3.55865 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 580000 763.7984 2064.8751 1963.4575 107.7985 -205965.5420 17556.0776 0.0000 0.0000 34277.9465 -149231.5884 299.3578 -183509.5349 -149134.7269 299.2472 -189.6773 -158.3657 557982.0447 2.0494 2.0717 PRESSURE: 580200 110.221 -184.521 206.008 -184.522 239.001 -16.808 206.008 -16.809 -156.493 GPRESSURE: 580200 121.635 -138.504 169.499 -124.882 297.293 23.2343 222.093 9.46523 -125.647 PRESSAVG: 580200 19.8256 45.8248 11.9462 45.8247 40.6941 -12.243 11.9461 -12.243 -88.0909 GPRESSAVG: 580200 20.9405 43.7949 11.9245 47.2014 40.5959 -13.0649 15.0396 -11.1743 -88.9308 TIMING: 580200 CPU: 1677.09, 0.00291739/step Wall: 1677.09, 0.00291739/step, 3.58175 hours remaining, 207.054688 MB of memory in use. ENERGY: 580200 751.3386 2030.8179 1933.5924 106.4384 -206123.6029 17794.6631 0.0000 0.0000 34284.4448 -149222.3078 299.4146 -183506.7526 -149123.4390 299.6967 64.2432 97.7605 557226.3631 -9.1904 -9.1315 LDB: ============= START OF LOAD BALANCING ============== 1680.47 LDB: ============== END OF LOAD BALANCING =============== 1680.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1680.48 LDB: ============= START OF LOAD BALANCING ============== 1680.77 LDB: Largest compute 4822 load 0.028817 is 24.4% of average load 0.117871 LDB: Average compute 0.001726 is 1.5% of average load 0.117871 LDB: TIME 1680.77 LOAD: AVG 0.117871 MAX 0.181455 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 1680.77 LOAD: AVG 0.117871 MAX 0.181455 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.387 MB LDB: TIME 1680.77 LOAD: AVG 0.117871 MAX 0.181455 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.387 MB LDB: ============== END OF LOAD BALANCING =============== 1680.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1680.78 PRESSURE: 580400 -208.425 -45.2215 -95.3211 -45.2216 -124.245 126.137 -95.3217 126.137 43.3571 GPRESSURE: 580400 -134.637 27.3178 -139.832 -70.2254 -145.929 177.175 -95.8903 33.3743 88.0719 PRESSAVG: 580400 8.85306 -0.810024 -23.9358 -0.810006 46.0973 -15.1444 -23.9358 -15.1443 -54.6283 GPRESSAVG: 580400 8.30784 0.200794 -24.4546 -2.5025 47.0397 -15.1323 -26.7522 -14.6847 -55.5395 TIMING: 580400 CPU: 1677.68, 0.00296908/step Wall: 1677.68, 0.00296908/step, 3.64504 hours remaining, 206.386719 MB of memory in use. ENERGY: 580400 718.9408 2092.0883 1959.0996 117.8552 -205669.8659 17646.2393 0.0000 0.0000 34071.4624 -149064.1804 297.5546 -183135.6428 -148971.4215 299.3296 -96.4375 -64.1647 558170.6732 0.1073 -0.0640 PRESSURE: 580600 224.523 129.723 53.5089 129.723 75.7064 59.5137 53.5086 59.514 -114.646 GPRESSURE: 580600 251.003 75.5645 78.159 135.546 152.226 89.1559 53.3188 48.9807 -118.239 PRESSAVG: 580600 7.83748 -29.5413 -19.4981 -29.5413 -54.1263 -19.0498 -19.498 -19.05 42.8992 GPRESSAVG: 580600 8.04649 -26.4078 -19.7556 -30.6233 -54.9858 -19.7111 -18.9585 -18.9061 43.6529 TIMING: 580600 CPU: 1678.26, 0.00290434/step Wall: 1678.26, 0.00290434/step, 3.5654 hours remaining, 206.386719 MB of memory in use. ENERGY: 580600 738.6635 2073.4941 1926.0876 123.1968 -206657.5933 18082.4310 0.0000 0.0000 34315.5291 -149398.1912 299.6861 -183713.7203 -149306.2119 298.8346 61.8613 94.9968 557112.2649 -1.1299 -1.0955 PRESSURE: 580800 145.474 -6.09847 89.6033 -6.09821 -174.091 -78.4763 89.6036 -78.4769 33.2503 GPRESSURE: 580800 178.771 -32.6313 80.1087 78.6332 -164.954 -40.6284 78.7969 -42.454 76.1386 PRESSAVG: 580800 60.3914 25.6547 32.1715 25.6548 -63.6473 39.5441 32.1714 39.5442 -10.9709 GPRESSAVG: 580800 60.214 22.3001 32.0492 27.6848 -62.0079 39.8531 30.7794 40.0829 -11.9976 TIMING: 580800 CPU: 1678.84, 0.00290624/step Wall: 1678.84, 0.00290624/step, 3.56757 hours remaining, 206.386719 MB of memory in use. ENERGY: 580800 754.0569 2071.9407 1938.9757 124.6443 -206420.8142 17952.3454 0.0000 0.0000 34192.3753 -149386.4758 298.6105 -183578.8511 -149292.9802 298.5445 1.5443 29.9854 559539.1731 -4.7423 -4.5972 PRESSURE: 581000 59.1561 146.565 186.805 146.564 17.0981 38.8457 186.804 38.8457 -68.1669 GPRESSURE: 581000 144.288 149.695 152.932 84.6311 43.5767 8.03852 231.312 73.7013 -84.7921 PRESSAVG: 581000 21.5717 -21.8106 -3.03335 -21.8106 -48.7645 0.41187 -3.03335 0.411963 -8.30561 GPRESSAVG: 581000 21.7571 -22.764 -2.30052 -22.7571 -50.3565 0.700361 -1.3286 -1.15194 -6.92545 TIMING: 581000 CPU: 1679.42, 0.00289907/step Wall: 1679.42, 0.00289907/step, 3.55861 hours remaining, 206.386719 MB of memory in use. ENERGY: 581000 734.5155 1984.3249 1970.2461 124.2763 -205940.8760 17845.7787 0.0000 0.0000 34146.2805 -149135.4541 298.2080 -183281.7345 -149043.4132 299.0484 2.6957 34.3577 558538.1062 -11.8328 -11.8416 PRESSURE: 581200 109.669 28.4729 22.7843 28.4744 65.4428 -57.0761 22.7849 -57.0758 115.361 GPRESSURE: 581200 150.427 93.2164 -47.8321 -46.1567 90.7086 -80.9227 8.48914 -93.5513 155.246 PRESSAVG: 581200 57.0485 1.60073 -3.65001 1.60074 -14.1614 25.8573 -3.64994 25.8573 -11.5509 GPRESSAVG: 581200 56.6155 3.45669 -4.37512 0.835245 -13.8305 26.58 -5.46353 25.0492 -11.1767 TIMING: 581200 CPU: 1680.01, 0.00291987/step Wall: 1680.01, 0.00291987/step, 3.58398 hours remaining, 206.386719 MB of memory in use. ENERGY: 581200 731.1721 2113.0190 1967.7974 112.1636 -206239.6908 17966.1026 0.0000 0.0000 34416.7249 -148932.7113 300.5698 -183349.4362 -148836.6873 300.4868 96.8243 132.1271 558136.1921 10.4454 10.5361 PRESSURE: 581400 420.151 -0.891 -61.2374 -0.891425 331.837 107.962 -61.2381 107.963 78.5949 GPRESSURE: 581400 417.958 31.9198 -68.337 -5.59451 396.441 120.716 -12.057 36.9382 115.566 PRESSAVG: 581400 -7.44153 23.4499 27.2206 23.4499 7.54044 -8.21386 27.2207 -8.21376 43.4692 GPRESSAVG: 581400 -6.83847 21.2672 29.1939 26.3927 8.95083 -8.75859 28.0377 -5.75905 41.7179 TIMING: 581400 CPU: 1680.58, 0.00287682/step Wall: 1680.58, 0.00287682/step, 3.53098 hours remaining, 206.386719 MB of memory in use. ENERGY: 581400 747.2247 2149.4084 1977.2736 113.4081 -206746.4721 18425.7356 0.0000 0.0000 34594.2141 -148739.2075 302.1199 -183333.4216 -148641.9382 300.2757 276.8610 309.9883 558536.1188 14.5227 14.6101 PRESSURE: 581600 106.195 -139.387 4.45929 -139.387 -219.314 -59.57 4.45831 -59.5709 -35.1977 GPRESSURE: 581600 135.161 -60.9709 61.7046 -200.552 -176.769 -32.5322 -2.74994 -63.2249 -15.4052 PRESSAVG: 581600 -18.7497 14.5301 13.8544 14.53 19.9377 -50.8463 13.8544 -50.8463 -18.8912 GPRESSAVG: 581600 -18.3072 14.821 13.5283 10.9464 19.2583 -52.7126 13.5541 -50.2325 -18.3856 TIMING: 581600 CPU: 1681.16, 0.00290331/step Wall: 1681.16, 0.00290331/step, 3.56333 hours remaining, 206.386719 MB of memory in use. ENERGY: 581600 751.0858 2119.6396 1979.5423 114.5779 -205968.6935 17853.4108 0.0000 0.0000 34275.2712 -148875.1660 299.3345 -183150.4372 -148782.1657 299.5399 -49.4388 -19.0042 558059.7001 -5.9011 -5.8115 PRESSURE: 581800 168.531 17.3685 -52.5605 17.3673 -30.9789 -120.667 -52.561 -120.667 54.8727 GPRESSURE: 581800 252.461 56.249 -103.958 81.2845 -64.0209 -74.7713 -69.3535 -191.061 95.3825 PRESSAVG: 581800 45.3433 38.4329 4.47076 38.433 -10.6219 -51.307 4.4707 -51.307 -6.48433 GPRESSAVG: 581800 45.0362 39.5371 2.40206 39.8879 -10.4347 -49.4213 4.4154 -54.2032 -6.50029 TIMING: 581800 CPU: 1681.74, 0.00289672/step Wall: 1681.74, 0.00289672/step, 3.55508 hours remaining, 206.386719 MB of memory in use. ENERGY: 581800 735.0912 2138.5527 1945.6038 108.2586 -205796.1700 17829.1258 0.0000 0.0000 34201.7879 -148837.7501 298.6927 -183039.5379 -148744.7565 300.1200 64.1417 94.6075 557447.3934 9.4123 9.3671 PRESSURE: 582000 -40.0967 7.24537 37.7967 7.24564 -97.5729 -65.2988 37.7986 -65.298 50.3786 GPRESSURE: 582000 -19.1486 -20.4901 19.6043 -28.0627 -38.4821 -66.4246 58.3123 -58.2681 55.9 PRESSAVG: 582000 51.8429 13.8414 20.9363 13.8415 -13.0876 -25.7661 20.9362 -25.766 -9.78773 GPRESSAVG: 582000 52.0551 13.2775 22.4917 12.8438 -12.4889 -26.4625 21.2664 -23.9708 -10.1943 TIMING: 582000 CPU: 1682.32, 0.00289674/step Wall: 1682.32, 0.00289674/step, 3.55494 hours remaining, 206.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 582000 746.4815 2149.5175 1912.4423 110.6760 -205864.7686 17608.2278 0.0000 0.0000 34308.5698 -149028.8537 299.6253 -183337.4235 -148932.1159 299.7961 -29.0970 -0.5769 556833.7803 9.6559 9.7906 PRESSURE: 582200 -397.749 33.71 -38.5149 33.7095 -13.9913 229.803 -38.5158 229.802 64.4281 GPRESSURE: 582200 -382.665 -26.9445 -5.057 73.6394 73.8014 239.715 7.95523 241.601 65.4943 PRESSAVG: 582200 -27.1383 30.1303 -26.8134 30.1304 -26.4711 -28.3275 -26.8133 -28.3275 29.1891 GPRESSAVG: 582200 -27.5142 28.8965 -25.4276 29.9262 -25.9071 -28.57 -25.5625 -28.62 29.2736 TIMING: 582200 CPU: 1682.9, 0.00288633/step Wall: 1682.9, 0.00288633/step, 3.54201 hours remaining, 206.386719 MB of memory in use. ENERGY: 582200 756.6978 2153.6632 1936.1070 115.2497 -205927.4207 17717.3045 0.0000 0.0000 34191.7704 -149056.6281 298.6052 -183248.3986 -148959.6305 299.3984 -115.7707 -81.1233 557026.9663 -8.1401 -8.0492 PRESSURE: 582400 6.44313 -35.0278 12.6465 -35.028 -398.103 99.2844 12.6467 99.2855 -138.483 GPRESSURE: 582400 88.205 103.505 -22.9512 -67.6457 -360.119 67.6976 -68.4938 100.861 -158.806 PRESSAVG: 582400 4.90005 -2.79615 65.0655 -2.79611 -38.4125 56.8154 65.0654 56.8154 26.0228 GPRESSAVG: 582400 4.35828 0.218616 63.9054 -1.69692 -40.2287 57.9009 62.6904 56.0573 27.8748 TIMING: 582400 CPU: 1683.48, 0.00290335/step Wall: 1683.48, 0.00290335/step, 3.56273 hours remaining, 206.386719 MB of memory in use. ENERGY: 582400 766.0661 2096.4792 1962.7458 112.6296 -205608.8835 17517.8624 0.0000 0.0000 34082.3778 -149070.7225 297.6499 -183153.1004 -148977.2218 299.3223 -176.7145 -143.5732 558098.1533 -2.4966 -2.6652 PRESSURE: 582600 -115.037 125.123 -115.213 125.124 -195.158 25.7838 -115.215 25.7845 -125.088 GPRESSURE: 582600 -90.0166 179.015 -72.8004 -12.7647 -117.995 85.1499 -151.081 -26.2784 -144.032 PRESSAVG: 582600 -59.6526 -23.8817 19.4119 -23.8818 1.23452 -30.3866 19.4119 -30.3866 43.2715 GPRESSAVG: 582600 -60.2211 -26.1674 19.302 -22.8956 2.80028 -32.0462 22.2506 -28.5995 42.1285 TIMING: 582600 CPU: 1684.06, 0.00290464/step Wall: 1684.06, 0.00290464/step, 3.56416 hours remaining, 206.386719 MB of memory in use. ENERGY: 582600 746.2612 2144.9190 1951.5457 111.4184 -206052.0718 17639.1847 0.0000 0.0000 34446.7294 -149012.0134 300.8319 -183458.7428 -148918.7909 299.7790 -145.0944 -117.3477 557997.3307 -5.0488 -5.0974 PRESSURE: 582800 -132.921 -9.66421 -76.4759 -9.66266 -96.3179 92.3209 -76.475 92.3216 -154.673 GPRESSURE: 582800 -115.272 -55.8476 -111.112 29.4988 -50.4896 185.366 -78.5736 90.089 -132.669 PRESSAVG: 582800 -17.3389 6.91573 -38.8546 6.91573 -34.1878 47.4799 -38.8546 47.4799 63.1443 GPRESSAVG: 582800 -16.4675 6.7717 -39.1126 5.2953 -35.981 49.4008 -38.8354 46.7007 63.8299 TIMING: 582800 CPU: 1684.64, 0.00289957/step Wall: 1684.64, 0.00289957/step, 3.55777 hours remaining, 206.386719 MB of memory in use. ENERGY: 582800 746.9367 2116.8981 1954.4323 112.3824 -205798.2706 17630.0891 0.0000 0.0000 34357.5091 -148880.0229 300.0527 -183237.5320 -148780.8284 300.3948 -127.9706 -99.4768 558567.7444 3.8725 3.7938 PRESSURE: 583000 -43.4912 116.831 -47.1691 116.83 -169.154 -54.8558 -47.1688 -54.8565 -88.5875 GPRESSURE: 583000 -18.8692 74.1355 -99.988 122.86 -126.773 -8.92508 -6.45904 -114.537 -59.066 PRESSAVG: 583000 13.5227 -5.57086 -60.4384 -5.57093 -42.5658 5.29123 -60.4385 5.29121 41.2052 GPRESSAVG: 583000 13.2957 -2.41928 -61.8384 -7.12815 -40.5466 4.8006 -59.0368 5.90453 39.5923 TIMING: 583000 CPU: 1685.22, 0.00289865/step Wall: 1685.22, 0.00289865/step, 3.55649 hours remaining, 206.386719 MB of memory in use. ENERGY: 583000 731.8242 2138.5240 1975.3100 108.2908 -205734.0684 17469.2935 0.0000 0.0000 34336.5556 -148974.2703 299.8697 -183310.8259 -148880.0204 300.4764 -100.4108 -68.2360 557419.5295 4.0540 4.1138 PRESSURE: 583200 -35.9305 125.762 86.2151 125.763 169.664 -49.8303 86.2155 -49.8295 -19.9508 GPRESSURE: 583200 37.9711 132.139 85.0946 84.8139 157.849 -81.0796 91.3632 -61.2961 6.66221 PRESSAVG: 583200 -50.8777 15.4548 49.1719 15.4548 -6.23535 -51.6847 49.1718 -51.6848 -5.16347 GPRESSAVG: 583200 -50.776 13.3374 50.9116 15.8957 -6.71724 -49.169 45.8646 -52.4724 -4.73785 TIMING: 583200 CPU: 1685.81, 0.00294078/step Wall: 1685.81, 0.00294078/step, 3.60801 hours remaining, 206.386719 MB of memory in use. ENERGY: 583200 722.7098 2053.9597 1968.8216 117.8082 -206143.8845 17832.8031 0.0000 0.0000 34439.0951 -149008.6870 300.7652 -183447.7821 -148915.9337 300.4569 37.9277 67.4941 556239.3645 -20.7589 -20.7437 PRESSURE: 583400 51.5673 -62.9919 -20.0586 -62.9932 -169.68 -57.775 -20.0582 -57.7754 -348.791 GPRESSURE: 583400 87.0924 -40.7275 -90.9665 -29.2162 -144.097 -104.3 43.656 -107.687 -313.409 PRESSAVG: 583400 53.3359 30.8967 6.10095 30.8967 -2.70241 -19.8376 6.10094 -19.8376 -21.0419 GPRESSAVG: 583400 54.3382 30.8505 4.78959 32.2736 -3.69279 -22.9955 6.47759 -20.3376 -21.4854 TIMING: 583400 CPU: 1686.39, 0.00290837/step Wall: 1686.39, 0.00290837/step, 3.56808 hours remaining, 206.386719 MB of memory in use. ENERGY: 583400 780.2040 2076.6539 1934.8820 118.1141 -205938.4806 17641.7224 0.0000 0.0000 34474.9865 -148911.9178 301.0786 -183386.9042 -148818.5374 299.5646 -155.6347 -123.4710 558561.5936 9.8639 9.7200 PRESSURE: 583600 -107.834 153.749 119.702 153.748 193.862 61.0739 119.703 61.075 -98.4226 GPRESSURE: 583600 -82.7942 201.856 46.4709 116.499 265.726 164.322 144.184 10.6339 -125.87 PRESSAVG: 583600 6.13659 0.434198 42.8916 0.434234 26.0646 9.79914 42.8916 9.79917 -44.6658 GPRESSAVG: 583600 5.48687 0.842813 45.86 0.132149 26.2215 11.6065 41.6704 9.84317 -43.546 TIMING: 583600 CPU: 1686.97, 0.00289429/step Wall: 1686.97, 0.00289429/step, 3.55066 hours remaining, 206.386719 MB of memory in use. ENERGY: 583600 770.1607 2140.5666 1959.6654 105.4386 -206287.8231 17985.8460 0.0000 0.0000 34309.6785 -149016.4673 299.6350 -183326.1458 -148925.5691 300.5171 -4.1314 19.0204 558290.1295 -4.1549 -3.9459 PRESSURE: 583800 -106.93 56.4418 -70.4179 56.4424 129.703 61.7662 -70.4189 61.7664 -17.4429 GPRESSURE: 583800 -98.0538 178.857 -32.1535 28.7984 189.727 42.3281 -52.4953 131.144 15.866 PRESSAVG: 583800 -29.965 73.4206 43.1534 73.4207 85.9869 33.9855 43.1534 33.9855 -32.2369 GPRESSAVG: 583800 -30.6825 74.8016 39.1504 72.41 86.5555 33.3122 43.9944 35.1198 -31.7341 TIMING: 583800 CPU: 1687.55, 0.00290955/step Wall: 1687.55, 0.00290955/step, 3.56921 hours remaining, 206.386719 MB of memory in use. ENERGY: 583800 748.1101 2038.9072 1981.5883 124.3820 -206535.5775 18101.0091 0.0000 0.0000 34288.2947 -149253.2860 299.4482 -183541.5807 -149155.5111 299.1422 1.7766 35.8464 558346.5670 7.9283 8.0463 PRESSURE: 584000 87.6862 -27.788 -78.4514 -27.7885 -6.03645 -133.561 -78.4527 -133.56 -100.694 GPRESSURE: 584000 89.3752 -46.0382 -115.493 -50.0619 6.66389 -197.855 -44.3602 -92.2372 -5.64461 PRESSAVG: 584000 -1.4566 11.3487 11.5297 11.3486 -21.1489 -45.0633 11.5297 -45.0633 42.8302 GPRESSAVG: 584000 -0.482777 8.17397 12.0261 13.7409 -22.0144 -48.3475 12.7639 -43.2422 42.7011 TIMING: 584000 CPU: 1688.13, 0.0029006/step Wall: 1688.13, 0.0029006/step, 3.55807 hours remaining, 206.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 584000 775.3395 2053.0280 1960.0469 119.9261 -206590.2201 18040.9902 0.0000 0.0000 34379.3580 -149261.5314 300.2435 -183640.8895 -149168.5132 299.6804 -6.3480 30.1315 557690.6652 6.7416 6.7346 PRESSURE: 584200 -105.328 -94.6293 -12.4498 -94.6305 -165.673 146.789 -12.4507 146.789 -6.33484 GPRESSURE: 584200 -111.344 -77.8665 -50.0615 -162.427 -53.1781 62.5722 11.3466 145.58 -11.0631 PRESSAVG: 584200 26.7474 41.5841 36.6996 41.584 -40.3735 25.066 36.6996 25.0659 27.8666 GPRESSAVG: 584200 25.1826 41.7827 37.219 39.2513 -39.7087 29.7459 35.5178 22.7753 28.9633 TIMING: 584200 CPU: 1688.72, 0.00292444/step Wall: 1688.72, 0.00292444/step, 3.58715 hours remaining, 206.386719 MB of memory in use. ENERGY: 584200 725.8015 2067.7214 1962.8879 108.8840 -206027.2106 17763.4985 0.0000 0.0000 34224.8479 -149173.5693 298.8941 -183398.4172 -149074.9434 299.2790 -92.4454 -58.5283 559836.4100 4.7468 4.8124 LDB: ============= START OF LOAD BALANCING ============== 1692.1 LDB: ============== END OF LOAD BALANCING =============== 1692.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1692.1 LDB: ============= START OF LOAD BALANCING ============== 1692.39 LDB: Largest compute 4822 load 0.029728 is 25.2% of average load 0.117834 LDB: Average compute 0.001726 is 1.5% of average load 0.117834 LDB: TIME 1692.4 LOAD: AVG 0.117834 MAX 0.182796 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1692.4 LOAD: AVG 0.117834 MAX 0.182796 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: TIME 1692.4 LOAD: AVG 0.117834 MAX 0.182796 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: ============== END OF LOAD BALANCING =============== 1692.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1692.4 PRESSURE: 584400 1.80061 26.597 -18.5641 26.5972 -223.954 -34.4657 -18.5635 -34.4649 -56.0739 GPRESSURE: 584400 -28.048 57.7337 50.9284 -16.8501 -157.932 -64.2662 -90.6122 -132.969 4.54404 PRESSAVG: 584400 3.42844 20.0653 -6.11358 20.0653 -38.058 -33.852 -6.11355 -33.8521 48.3104 GPRESSAVG: 584400 4.26755 22.3277 -5.7213 20.5735 -37.7531 -34.8235 -6.35535 -34.968 47.1405 TIMING: 584400 CPU: 1689.31, 0.00295157/step Wall: 1689.31, 0.00295157/step, 3.62026 hours remaining, 209.460938 MB of memory in use. ENERGY: 584400 731.9895 2105.8747 1933.6097 105.3062 -205881.0361 17743.4600 0.0000 0.0000 34035.5379 -149225.2581 297.2408 -183260.7960 -149133.5223 298.4334 -92.7423 -60.4786 558376.6607 4.5603 4.5516 PRESSURE: 584600 -15.3442 182.236 28.5699 182.237 -69.3774 -12.7087 28.5692 -12.7093 -50.7179 GPRESSURE: 584600 -22.0752 215.984 2.75186 130.47 -47.8741 -2.11342 141.729 -23.4983 28.3312 PRESSAVG: 584600 37.3968 -51.3452 40.0937 -51.3452 -56.1306 -19.0244 40.0938 -19.0243 27.4525 GPRESSAVG: 584600 37.1719 -50.9834 39.5982 -51.6478 -56.1413 -18.904 41.3786 -17.1714 28.0669 TIMING: 584600 CPU: 1689.89, 0.00291376/step Wall: 1689.89, 0.00291376/step, 3.57372 hours remaining, 209.531250 MB of memory in use. ENERGY: 584600 733.7962 2095.7142 1952.3773 121.2104 -205843.4685 17632.2119 0.0000 0.0000 34102.0300 -149206.1284 297.8215 -183308.1584 -149114.1816 298.5010 -45.1465 -13.8727 559284.3544 2.9062 3.0325 PRESSURE: 584800 19.5654 57.4637 214.955 57.4631 103.18 -272.114 214.956 -272.114 149.36 GPRESSURE: 584800 23.2983 20.4809 112.09 17.8232 123.028 -181.459 315.694 -319.08 226.692 PRESSAVG: 584800 -58.417 -22.8599 51.1771 -22.8601 40.9635 64.0863 51.177 64.0863 -11.4419 GPRESSAVG: 584800 -58.2262 -25.1253 53.2745 -21.6415 40.582 62.5271 49.869 63.3715 -10.9802 TIMING: 584800 CPU: 1690.47, 0.0028911/step Wall: 1690.47, 0.0028911/step, 3.54578 hours remaining, 209.531250 MB of memory in use. ENERGY: 584800 762.8158 2108.5444 1918.0504 104.8822 -206173.6536 17991.1747 0.0000 0.0000 34235.6573 -149052.5288 298.9885 -183288.1862 -148956.7949 298.6565 90.7017 124.3392 557907.4095 -9.6318 -9.5414 PRESSURE: 585000 -112.139 1.79132 -68.9627 1.7905 -336.524 -149.759 -68.9629 -149.759 49.8247 GPRESSURE: 585000 -108.276 33.1062 2.41534 -35.2535 -232.306 -187.792 -109.129 -135.166 48.2003 PRESSAVG: 585000 38.723 39.0578 24.7446 39.0577 -85.4094 31.8756 24.7446 31.8756 72.0258 GPRESSAVG: 585000 38.7684 38.945 24.0351 39.1418 -85.4094 32.0298 25.0585 30.5996 72.0227 TIMING: 585000 CPU: 1691.05, 0.00289103/step Wall: 1691.05, 0.00289103/step, 3.54553 hours remaining, 209.531250 MB of memory in use. ENERGY: 585000 743.5473 2083.3168 1922.7499 124.0686 -205663.2883 17552.1953 0.0000 0.0000 34198.0241 -149039.3864 298.6598 -183237.4105 -148943.3065 298.8615 -132.9461 -97.4606 558710.8704 8.4465 8.4606 PRESSURE: 585200 100.571 161.488 -115.619 161.488 8.87768 -13.2082 -115.621 -13.2095 46.792 GPRESSURE: 585200 140.936 160.079 -135.304 166.13 33.0345 -112.845 -214.887 8.91424 66.7349 PRESSAVG: 585200 36.7682 -25.0462 -21.3729 -25.0462 -40.0439 9.44407 -21.3729 9.44408 -8.01595 GPRESSAVG: 585200 37.4487 -25.3496 -20.8202 -24.6744 -40.195 10.9087 -23.1328 10.993 -8.42527 TIMING: 585200 CPU: 1691.63, 0.00290028/step Wall: 1691.63, 0.00290028/step, 3.55671 hours remaining, 209.531250 MB of memory in use. ENERGY: 585200 722.7411 2072.6508 1944.7462 97.2383 -205793.8902 17790.4926 0.0000 0.0000 34087.3596 -149078.6616 297.6934 -183166.0212 -148986.1111 299.6200 52.0802 80.2350 557905.9927 -3.7639 -3.7239 PRESSURE: 585400 -89.3914 41.8442 -172.101 41.8424 -35.5238 -35.8284 -172.101 -35.8284 -16.1516 GPRESSURE: 585400 -104.057 50.7052 -94.9669 67.7451 65.733 -77.8397 -58.7728 -49.993 -7.12015 PRESSAVG: 585400 -20.6668 12.3833 52.7449 12.3833 66.0193 -29.4945 52.745 -29.4945 -31.003 GPRESSAVG: 585400 -21.8419 14.4058 52.3547 12.354 67.0346 -30.9852 54.0347 -28.5057 -30.9324 TIMING: 585400 CPU: 1692.21, 0.00292031/step Wall: 1692.21, 0.00292031/step, 3.58111 hours remaining, 209.531250 MB of memory in use. ENERGY: 585400 735.1712 2062.2157 1939.0985 116.7353 -205576.8229 17503.0232 0.0000 0.0000 34190.3402 -149030.2388 298.5927 -183220.5790 -148929.7984 299.0489 -47.0223 -15.1479 557915.3239 4.7831 4.7534 PRESSURE: 585600 -165.491 -28.6079 138.951 -28.6083 -160.94 -90.2 138.951 -90.2003 136.701 GPRESSURE: 585600 -122.763 37.407 103.369 -46.6116 -131.902 -78.411 119.767 -96.0651 148.046 PRESSAVG: 585600 -5.16766 15.256 -21.6597 15.256 -24.8967 13.5381 -21.6597 13.538 1.84229 GPRESSAVG: 585600 -4.99902 15.7043 -21.8664 12.359 -24.9027 12.8063 -21.3172 15.2399 1.87876 TIMING: 585600 CPU: 1692.79, 0.00289605/step Wall: 1692.79, 0.00289605/step, 3.5512 hours remaining, 209.531250 MB of memory in use. ENERGY: 585600 723.9967 2083.7814 1934.6844 101.4034 -205876.5163 17528.4000 0.0000 0.0000 34315.5275 -149188.7230 299.6860 -183504.2505 -149090.8482 299.3260 -63.2434 -35.5397 557671.2431 -9.4073 -9.3410 PRESSURE: 585800 -33.3427 90.0425 75.4609 90.0444 -369.574 15.9187 75.4599 15.9198 6.48645 GPRESSURE: 585800 -30.9072 142.731 45.5789 62.8539 -320.731 76.5033 90.9562 -17.4129 38.7362 PRESSAVG: 585800 -3.32277 23.036 26.6131 23.036 -36.1501 -20.0438 26.6131 -20.0439 52.5998 GPRESSAVG: 585800 -2.54655 23.3048 26.0762 26.0422 -36.1784 -17.2198 25.4391 -22.2969 52.1 TIMING: 585800 CPU: 1693.37, 0.00290389/step Wall: 1693.37, 0.00290389/step, 3.56065 hours remaining, 209.531250 MB of memory in use. ENERGY: 585800 719.5849 2025.5894 1942.4197 107.6328 -205672.2764 17426.4823 0.0000 0.0000 34214.1295 -149236.4377 298.8005 -183450.5672 -149143.7104 298.9023 -132.1436 -104.3006 557999.8826 4.3756 4.4584 PRESSURE: 586000 -14.7844 -95.0868 10.6977 -95.0858 59.3745 270.285 10.6958 270.287 -165.043 GPRESSURE: 586000 23.8244 -136.771 1.56494 -38.5366 82.5175 255.224 22.4147 238.211 -125.343 PRESSAVG: 586000 16.2564 46.1139 -12.8415 46.114 73.0373 8.92591 -12.8416 8.92591 -37.4072 GPRESSAVG: 586000 16.4144 44.6341 -13.172 45.1142 72.657 8.96909 -11.4823 7.73322 -37.408 TIMING: 586000 CPU: 1693.95, 0.00290162/step Wall: 1693.95, 0.00290162/step, 3.5577 hours remaining, 209.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 586000 759.7033 2070.3721 1954.3480 105.8940 -206110.3650 17797.3191 0.0000 0.0000 33937.9213 -149484.8072 296.3883 -183422.7285 -149385.5870 299.0042 -40.1511 -6.3337 555998.5166 17.2955 17.2212 PRESSURE: 586200 77.9539 -37.475 -10.801 -37.4769 124.976 102.89 -10.7998 102.888 78.9169 GPRESSURE: 586200 174.516 -13.2624 -34.1474 -111.954 128.833 98.459 28.142 43.5103 85.7424 PRESSAVG: 586200 -9.68424 -26.8371 16.2588 -26.8371 43.0722 45.2328 16.2588 45.2326 -3.05593 GPRESSAVG: 586200 -10.0761 -25.9587 17.999 -26.9235 41.7969 42.7628 17.3275 47.5232 -1.9719 TIMING: 586200 CPU: 1694.53, 0.00288931/step Wall: 1694.53, 0.00288931/step, 3.54246 hours remaining, 209.531250 MB of memory in use. ENERGY: 586200 768.2950 2040.7607 1920.6456 107.4912 -206221.7284 17773.7677 0.0000 0.0000 34162.2677 -149448.5005 298.3476 -183610.7682 -149356.3135 298.3172 93.9490 129.6974 556216.3033 10.1107 9.9163 PRESSURE: 586400 103.102 12.253 -66.7623 12.2519 -146.924 70.8706 -66.7619 70.8714 175.327 GPRESSURE: 586400 88.7613 49.4479 -114.035 17.1093 -68.6227 91.6736 -75.882 64.6256 204.66 PRESSAVG: 586400 47.4794 -37.941 -67.882 -37.9411 -26.3906 33.8611 -67.8819 33.8613 2.98069 GPRESSAVG: 586400 47.2691 -37.3601 -72.2537 -38.2627 -25.6177 36.0136 -68.2758 32.1642 2.54172 TIMING: 586400 CPU: 1695.1, 0.00286138/step Wall: 1695.1, 0.00286138/step, 3.50806 hours remaining, 209.531250 MB of memory in use. ENERGY: 586400 721.9894 2074.0062 1945.3508 111.5615 -206337.4423 17857.3612 0.0000 0.0000 34199.5751 -149427.5980 298.6734 -183627.1731 -149323.4918 298.4423 43.8352 74.9330 556738.2712 8.0231 8.0644 PRESSURE: 586600 261.945 -14.0549 -51.4594 -14.0552 -39.6752 23.2201 -51.4597 23.2187 109.601 GPRESSURE: 586600 265.037 -1.90607 43.3587 -56.3299 28.2678 67.0601 -85.624 37.2214 143.133 PRESSAVG: 586600 -6.46008 26.4521 7.5909 26.4521 -77.0004 33.5384 7.59105 33.5384 41.4805 GPRESSAVG: 586600 -6.42674 26.4132 11.7014 27.5068 -76.9914 34.8962 7.66895 33.1428 41.6509 TIMING: 586600 CPU: 1695.67, 0.00285924/step Wall: 1695.67, 0.00285924/step, 3.50527 hours remaining, 209.531250 MB of memory in use. ENERGY: 586600 775.9217 2073.1472 1915.5666 125.7922 -206405.0438 17902.4987 0.0000 0.0000 34331.4996 -149280.6178 299.8255 -183612.1173 -149180.6049 298.6210 110.6236 145.4793 556415.0552 -13.9933 -13.9224 PRESSURE: 586800 224.736 200.317 -12.4379 200.317 -278.994 -111.382 -12.4373 -111.382 205.413 GPRESSURE: 586800 179.29 229.392 -68.5032 159.74 -194.446 -135.327 -16.8528 -106.087 254.968 PRESSAVG: 586800 -11.3789 46.2934 -9.55803 46.2933 -98.1131 3.96112 -9.55803 3.96124 68.5744 GPRESSAVG: 586800 -10.6666 46.4256 -9.27106 45.597 -98.4711 1.5527 -10.0346 5.42754 68.8237 TIMING: 586800 CPU: 1696.25, 0.00288091/step Wall: 1696.25, 0.00288091/step, 3.53167 hours remaining, 209.531250 MB of memory in use. ENERGY: 586800 762.5864 2105.2867 1947.1714 117.2957 -206613.4782 18002.3086 0.0000 0.0000 34338.1978 -149340.6316 299.8840 -183678.8294 -149250.1824 298.9435 50.3851 79.9373 558313.0849 -13.6392 -13.4380 PRESSURE: 587000 136.505 95.8407 -80.4265 95.8423 -120.541 145.498 -80.426 145.498 -153.691 GPRESSURE: 587000 183.397 64.0989 -29.6373 128.798 -128.721 161.728 -152.057 157.167 -97.1976 PRESSAVG: 587000 -10.9282 -9.85009 13.3838 -9.85009 0.884433 85.2448 13.3839 85.2448 98.7642 GPRESSAVG: 587000 -11.1495 -11.7057 14.4229 -9.68598 1.23702 84.9795 12.7482 85.4111 98.8477 TIMING: 587000 CPU: 1696.83, 0.00289388/step Wall: 1696.83, 0.00289388/step, 3.54741 hours remaining, 209.531250 MB of memory in use. ENERGY: 587000 706.6395 2060.0250 1946.8340 125.0777 -206298.0449 17779.8627 0.0000 0.0000 34355.8645 -149323.7415 300.0383 -183679.6059 -149232.1487 299.3666 -45.9091 -14.1740 558569.5731 29.5735 29.6451 PRESSURE: 587200 -203.914 164.041 -32.6505 164.041 177.604 -93.8246 -32.6498 -93.8237 77.3428 GPRESSURE: 587200 -154.807 187.243 15.6047 194.176 195.685 -68.0445 47.1337 -152.753 94.7163 PRESSAVG: 587200 -4.77996 -12.1858 0.194228 -12.1858 26.7931 -10.0673 0.19435 -10.0673 -13.3457 GPRESSAVG: 587200 -4.75103 -11.5943 -1.77344 -11.3701 27.1578 -7.21246 0.865967 -10.633 -13.8527 TIMING: 587200 CPU: 1697.41, 0.00292379/step Wall: 1697.41, 0.00292379/step, 3.58392 hours remaining, 209.531250 MB of memory in use. ENERGY: 587200 706.8809 2071.8312 1967.5142 113.4858 -206402.0261 17836.9539 0.0000 0.0000 34225.7581 -149479.6020 298.9021 -183705.3601 -149381.9120 299.3163 17.0109 45.1981 557259.1276 2.8892 2.8514 PRESSURE: 587400 -283.124 181.946 91.6998 181.947 61.8151 40.1946 91.6991 40.1955 43.0116 GPRESSURE: 587400 -165.926 192.665 140.752 219.078 37.2117 10.1173 0.94908 90.0714 43.9089 PRESSAVG: 587400 -39.7241 -7.83344 -14.0213 -7.8334 36.5386 -7.95592 -14.0213 -7.95596 23.0355 GPRESSAVG: 587400 -39.3091 -7.07351 -14.2673 -8.05048 36.857 -9.47179 -15.7961 -9.39494 22.1631 TIMING: 587400 CPU: 1697.99, 0.00289408/step Wall: 1697.99, 0.00289408/step, 3.54734 hours remaining, 209.531250 MB of memory in use. ENERGY: 587400 775.1131 2111.4136 1960.4178 120.0903 -206094.1732 17503.6109 0.0000 0.0000 34233.8381 -149389.6894 298.9726 -183623.5274 -149296.8770 298.4459 -59.4324 -28.2683 556077.1832 6.6167 6.5703 PRESSURE: 587600 -56.7107 27.4996 41.0437 27.5006 -26.686 -2.5103 41.0437 -2.51099 167.406 GPRESSURE: 587600 -16.5525 25.103 157.447 10.8864 -36.6263 0.537438 -20.4952 -27.6281 226.124 PRESSAVG: 587600 -78.8159 2.29721 62.8451 2.29719 -38.705 -15.0775 62.845 -15.0775 101.352 GPRESSAVG: 587600 -79.5013 0.628838 63.7892 3.35743 -39.6373 -13.9738 64.6264 -15.2774 103.432 TIMING: 587600 CPU: 1698.57, 0.00289271/step Wall: 1698.57, 0.00289271/step, 3.54549 hours remaining, 209.531250 MB of memory in use. ENERGY: 587600 728.8629 2061.4507 1960.3785 120.0197 -206432.4957 17970.6309 0.0000 0.0000 34311.4058 -149279.7471 299.6500 -183591.1528 -149181.0030 298.8645 28.0032 57.6483 556837.2932 -5.3898 -5.2354 PRESSURE: 587800 -120.494 100.94 -48.445 100.94 -213.469 -85.5003 -48.4464 -85.5015 -109.377 GPRESSURE: 587800 -113.815 66.4818 -23.3474 140.871 -102.713 -30.7031 -55.129 -153.291 -123.975 PRESSAVG: 587800 24.327 22.3607 -0.711823 22.3606 -9.64927 36.8809 -0.711886 36.8809 23.2265 GPRESSAVG: 587800 23.6973 22.7953 -2.19603 20.8533 -8.44228 34.9962 -0.322546 38.4663 22.212 TIMING: 587800 CPU: 1699.15, 0.00288906/step Wall: 1699.15, 0.00288906/step, 3.54087 hours remaining, 209.531250 MB of memory in use. ENERGY: 587800 730.7373 2105.0298 1950.0526 116.6830 -205914.4279 17647.8845 0.0000 0.0000 34049.5878 -149314.4527 297.3635 -183364.0406 -149224.7759 299.6690 -147.7801 -113.5012 558775.4371 12.6347 12.4890 PRESSURE: 588000 -44.6442 14.4862 -0.258063 14.4862 15.7508 -43.3924 -0.257587 -43.3923 -27.1261 GPRESSURE: 588000 13.465 -20.1443 4.35103 53.0473 23.7842 56.9555 -45.9962 -142.392 -6.11231 PRESSAVG: 588000 -69.0118 39.9225 -13.8191 39.9225 -6.90265 -44.7713 -13.819 -44.7713 85.2885 GPRESSAVG: 588000 -68.6338 39.6265 -10.3267 40.17 -7.84447 -44.5495 -15.3301 -45.9815 85.2187 TIMING: 588000 CPU: 1699.73, 0.00290309/step Wall: 1699.73, 0.00290309/step, 3.5579 hours remaining, 209.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 588000 764.7375 2092.1485 1957.7225 116.1257 -206270.9563 17763.7798 0.0000 0.0000 34351.2795 -149225.1629 299.9983 -183576.4424 -149121.7293 298.8206 -18.6732 10.3790 557139.6994 3.1247 2.9135 PRESSURE: 588200 12.182 -68.4432 75.976 -68.4441 94.3433 32.2108 75.9775 32.21 172.066 GPRESSURE: 588200 2.79469 -139.151 178.392 -57.8461 130.557 36.7539 -10.3513 -34.9736 247.692 PRESSAVG: 588200 -20.8689 12.9756 -45.8298 12.9756 -4.52661 -20.4989 -45.8299 -20.4988 42.0537 GPRESSAVG: 588200 -20.2886 13.3692 -47.5866 12.7306 -3.8262 -18.0751 -45.5396 -21.648 41.0755 TIMING: 588200 CPU: 1700.31, 0.00289355/step Wall: 1700.31, 0.00289355/step, 3.54604 hours remaining, 209.531250 MB of memory in use. ENERGY: 588200 729.8917 2099.2501 1968.9376 110.0481 -206201.4726 17935.6310 0.0000 0.0000 34383.0752 -148974.6390 300.2759 -183357.7142 -148875.7724 300.4190 92.8637 127.0145 556858.4587 5.5527 5.6536 LDB: ============= START OF LOAD BALANCING ============== 1703.69 LDB: ============== END OF LOAD BALANCING =============== 1703.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1703.69 LDB: ============= START OF LOAD BALANCING ============== 1703.98 LDB: Largest compute 4822 load 0.029688 is 25.2% of average load 0.117910 LDB: Average compute 0.001724 is 1.5% of average load 0.117910 LDB: TIME 1703.99 LOAD: AVG 0.11791 MAX 0.180527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.973 MB LDB: TIME 1703.99 LOAD: AVG 0.11791 MAX 0.180527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.973 MB LDB: TIME 1703.99 LOAD: AVG 0.11791 MAX 0.180527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1703.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1703.99 PRESSURE: 588400 -173.359 -221.317 125.721 -221.315 -79.3036 84.2324 125.722 84.232 -273.875 GPRESSURE: 588400 -208.027 -156.916 176.863 -162.074 -20.6362 97.2629 99.1575 89.0044 -207.795 PRESSAVG: 588400 -19.9164 6.45454 9.52354 6.45459 -30.4835 26.4952 9.52351 26.4951 55.7376 GPRESSAVG: 588400 -19.802 6.5779 7.83993 6.12453 -31.8237 22.8656 11.9233 28.9325 57.3301 TIMING: 588400 CPU: 1700.9, 0.00295967/step Wall: 1700.9, 0.00295967/step, 3.62691 hours remaining, 205.398438 MB of memory in use. ENERGY: 588400 755.6242 2085.3815 1946.9102 110.8761 -205825.3955 17487.7184 0.0000 0.0000 34325.8185 -149113.0665 299.7759 -183438.8850 -149017.3711 299.9517 -175.5124 -145.4859 556491.9707 1.7792 1.9015 PRESSURE: 588600 -82.8543 124.978 33.4134 124.978 33.4711 58.6597 33.413 58.6592 -66.4019 GPRESSURE: 588600 -61.018 132.931 38.1386 150.919 116.435 87.4153 77.868 48.6006 -60.9201 PRESSAVG: 588600 -41.0089 -25.6034 34.738 -25.6034 31.1473 -20.5202 34.738 -20.5202 16.1754 GPRESSAVG: 588600 -41.2467 -25.6048 35.1377 -25.8909 32.911 -17.144 33.4897 -25.1524 14.7445 TIMING: 588600 CPU: 1701.48, 0.00288788/step Wall: 1701.48, 0.00288788/step, 3.53878 hours remaining, 205.398438 MB of memory in use. ENERGY: 588600 750.2641 2112.6385 1936.1733 98.3318 -206237.9406 17801.9634 0.0000 0.0000 34274.1209 -149264.4487 299.3244 -183538.5695 -149167.4555 299.2837 -38.5950 -1.8342 557842.4411 2.1046 2.1362 PRESSURE: 588800 30.8664 -27.2922 126.341 -27.291 -109.731 37.8758 126.341 37.8759 53.8504 GPRESSURE: 588800 64.0297 -10.7239 135.338 18.7264 -91.3883 27.4181 60.1337 -17.9626 99.2625 PRESSAVG: 588800 3.24484 -9.64172 7.76997 -9.64174 -35.9949 53.0568 7.76998 53.0568 18.4481 GPRESSAVG: 588800 3.27182 -11.0784 8.0185 -7.51615 -37.7294 51.6294 5.36329 56.0058 19.6114 TIMING: 588800 CPU: 1702.06, 0.00293223/step Wall: 1702.06, 0.00293223/step, 3.59296 hours remaining, 205.398438 MB of memory in use. ENERGY: 588800 759.8329 2094.7500 1908.7528 112.1373 -206240.9020 17823.5098 0.0000 0.0000 34366.5955 -149175.3238 300.1320 -183541.9193 -149079.1436 299.2576 -8.3380 23.9680 558361.4072 -4.7673 -4.9487 PRESSURE: 589000 260.656 -29.1056 -85.299 -29.1051 282.287 -61.9304 -85.2995 -61.9294 -1.59404 GPRESSURE: 589000 318.052 -44.1848 -94.1004 -11.1711 284.936 -106.533 -102.999 13.9966 38.6529 PRESSAVG: 589000 44.042 -20.5239 50.7892 -20.5238 -13.5219 -18.9077 50.7892 -18.9077 -8.38971 GPRESSAVG: 589000 44.772 -20.5282 51.3816 -21.0936 -13.3529 -19.6277 51.8352 -16.7269 -8.65269 TIMING: 589000 CPU: 1702.64, 0.00289729/step Wall: 1702.64, 0.00289729/step, 3.54998 hours remaining, 205.398438 MB of memory in use. ENERGY: 589000 745.2225 2096.4560 1957.5223 114.7543 -206645.4134 18086.8680 0.0000 0.0000 34493.2259 -149151.3644 301.2379 -183644.5903 -149050.2417 300.8958 180.4497 213.8804 556211.0872 7.3768 7.5888 PRESSURE: 589200 71.2758 -68.2921 25.0894 -68.2918 243.605 -138.624 25.0883 -138.624 202.278 GPRESSURE: 589200 126.845 30.9295 -52.0798 -124.876 286.916 -242.414 123.269 -137.495 211.7 PRESSAVG: 589200 -47.0197 22.1052 9.82721 22.1052 71.2933 -21.1428 9.82706 -21.143 -20.7927 GPRESSAVG: 589200 -46.0075 23.0206 7.96076 21.4613 70.7435 -22.3126 11.0393 -21.7545 -20.8162 TIMING: 589200 CPU: 1703.22, 0.00290134/step Wall: 1703.22, 0.00290134/step, 3.55479 hours remaining, 205.398438 MB of memory in use. ENERGY: 589200 754.0092 2065.3323 1942.0300 125.3087 -206623.4835 18086.9889 0.0000 0.0000 34267.9132 -149381.9012 299.2702 -183649.8144 -149282.7265 299.7436 172.3863 208.4870 555618.4446 1.1603 1.3066 PRESSURE: 589400 -90.7009 -17.5312 119.547 -17.5308 42.0047 115.221 119.546 115.219 38.0884 GPRESSURE: 589400 -64.1875 -58.4631 50.1107 24.4297 125.993 113.424 122.978 154.941 25.3448 PRESSAVG: 589400 27.6354 -16.1784 -19.6086 -16.1785 38.719 4.73216 -19.6087 4.73212 39.67 GPRESSAVG: 589400 26.9446 -17.0278 -19.1754 -16.6031 39.7231 4.46118 -20.3815 4.62339 39.237 TIMING: 589400 CPU: 1703.81, 0.0029328/step Wall: 1703.81, 0.0029328/step, 3.59317 hours remaining, 205.398438 MB of memory in use. ENERGY: 589400 729.9286 2088.2128 1944.9073 115.3003 -206377.0065 17830.7432 0.0000 0.0000 34123.7668 -149544.1475 298.0113 -183667.9143 -149441.9318 299.1864 -3.5359 29.0502 557018.9927 35.3415 35.3016 PRESSURE: 589600 -108.199 111.381 -5.57835 111.381 -160.003 14.8847 -5.57944 14.8851 113.096 GPRESSURE: 589600 -66.2579 106.571 53.238 75.3917 -153.738 10.5634 -75.9943 -34.5791 158.879 PRESSAVG: 589600 -27.4462 -16.8496 10.6778 -16.8496 -6.532 26.1161 10.6777 26.116 -8.46086 GPRESSAVG: 589600 -28.4632 -16.1803 11.2691 -16.4951 -7.01649 28.7008 11.9312 24.1625 -6.37354 TIMING: 589600 CPU: 1704.39, 0.00292523/step Wall: 1704.39, 0.00292523/step, 3.58373 hours remaining, 205.398438 MB of memory in use. ENERGY: 589600 808.4386 2049.4216 1945.0144 122.7001 -206479.0561 17876.5408 0.0000 0.0000 34299.1332 -149377.8073 299.5429 -183676.9405 -149282.5703 298.4160 -51.7024 -20.3725 556702.5663 -14.1464 -13.9511 PRESSURE: 589800 28.5552 16.6132 -7.23876 16.6136 113.918 26.0612 -7.23834 26.0624 -96.299 GPRESSURE: 589800 19.5363 -8.979 15.0584 90.0155 176.724 108.918 -78.9413 63.7458 -43.6086 PRESSAVG: 589800 -4.4775 27.1395 -44.226 27.1396 19.5421 94.5192 -44.226 94.5192 -20.2609 GPRESSAVG: 589800 -3.61206 26.6655 -45.0821 25.9055 20.3241 92.0106 -44.103 95.8946 -21.8624 TIMING: 589800 CPU: 1704.97, 0.00290176/step Wall: 1704.97, 0.00290176/step, 3.55481 hours remaining, 205.398438 MB of memory in use. ENERGY: 589800 772.3995 2112.7459 1939.8224 130.5820 -206667.2827 18169.7275 0.0000 0.0000 34214.3068 -149327.6987 298.8021 -183542.0055 -149225.6462 298.7501 15.3914 50.8840 557522.3302 -1.7321 -1.7168 PRESSURE: 590000 -16.6165 125.919 10.5532 125.918 131.703 103.78 10.5517 103.779 -79.6036 GPRESSURE: 590000 5.76863 147.936 4.81555 108.618 122.663 79.115 -28.8743 84.8633 -3.31735 PRESSAVG: 590000 -23.4044 35.0346 25.6625 35.0346 69.7791 21.9112 25.6626 21.9113 -91.2429 GPRESSAVG: 590000 -24.2089 33.8607 25.0929 37.2433 71.2035 24.2392 24.5935 20.734 -91.3134 TIMING: 590000 CPU: 1705.56, 0.00292977/step Wall: 1705.56, 0.00292977/step, 3.58896 hours remaining, 205.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 590000 762.2673 2083.2160 1958.0435 112.0748 -206085.7956 17735.8525 0.0000 0.0000 34145.5907 -149288.7509 298.2019 -183434.3415 -149183.7334 299.3354 11.8276 41.7049 556474.0966 -14.9561 -14.7729 PRESSURE: 590200 -94.3395 23.2445 206.356 23.2437 -64.0435 35.631 206.355 35.6308 -354.212 GPRESSURE: 590200 -38.456 -17.0613 101.219 103.503 -26.9121 80.3441 197.008 48.5935 -349.589 PRESSAVG: 590200 -3.89038 16.8706 81.2115 16.8705 -70.0373 51.2211 81.2116 51.2212 29.3958 GPRESSAVG: 590200 -3.74385 19.3277 80.5546 15.9112 -70.1599 50.3688 81.1682 52.5538 29.6289 TIMING: 590200 CPU: 1706.14, 0.00289157/step Wall: 1706.14, 0.00289157/step, 3.54201 hours remaining, 205.398438 MB of memory in use. ENERGY: 590200 804.7597 2059.4202 1952.5182 117.2484 -206118.6253 17527.2521 0.0000 0.0000 34490.6175 -149166.8093 301.2151 -183657.4268 -149082.2290 299.7335 -170.8650 -138.3190 558639.5030 -14.8440 -14.7583 PRESSURE: 590400 -139.04 136.138 -13.6716 136.139 -225.5 99.2456 -13.6702 99.2459 -154.013 GPRESSURE: 590400 -56.0966 140.504 2.70741 50.5798 -256.439 67.5902 -10.426 10.4555 -110.064 PRESSAVG: 590400 -36.4308 3.29197 3.96832 3.29198 -61.4112 92.3132 3.96824 92.3132 53.7951 GPRESSAVG: 590400 -35.4326 2.60361 3.72917 2.38134 -62.4355 91.8191 5.34745 93.2826 53.8418 TIMING: 590400 CPU: 1706.72, 0.00292302/step Wall: 1706.72, 0.00292302/step, 3.58037 hours remaining, 205.398438 MB of memory in use. ENERGY: 590400 743.5914 2113.1709 1951.0583 131.8036 -205844.6348 17376.9044 0.0000 0.0000 34297.7320 -149230.3740 299.5306 -183528.1060 -149135.6855 299.5539 -172.8511 -140.8666 557735.0527 -14.6823 -14.6754 PRESSURE: 590600 -190.005 16.6696 -82.5451 16.6695 -119.562 39.9784 -82.5454 39.979 -103.567 GPRESSURE: 590600 -140.897 61.8352 -23.9969 1.56977 -80.5723 69.327 -121.455 -29.0291 -87.7609 PRESSAVG: 590600 -10.7176 -47.6204 -22.3405 -47.6206 -18.9379 59.2026 -22.3405 59.2026 36.0289 GPRESSAVG: 590600 -9.8185 -48.3997 -20.6426 -44.9687 -19.5078 58.1928 -25.162 58.7198 35.8833 TIMING: 590600 CPU: 1707.31, 0.00292649/step Wall: 1707.31, 0.00292649/step, 3.58446 hours remaining, 205.398438 MB of memory in use. ENERGY: 590600 711.0770 2110.7099 1947.5959 122.8719 -205936.0910 17536.6220 0.0000 0.0000 34382.4444 -149124.7698 300.2704 -183507.2143 -149022.7433 300.0070 -137.7113 -103.0769 556747.8635 2.1245 2.1857 PRESSURE: 590800 -79.3132 -145.145 118.077 -145.145 225.852 256.573 118.078 256.572 62.9677 GPRESSURE: 590800 18.9004 -203.683 87.9408 -83.3175 228.423 252.933 136.264 202.849 54.3865 PRESSAVG: 590800 24.019 14.8082 -21.2659 14.8083 36.9503 48.7466 -21.266 48.7467 5.76797 GPRESSAVG: 590800 23.0554 16.7925 -22.2672 14.5098 38.0829 51.202 -20.9788 48.2145 5.02493 TIMING: 590800 CPU: 1707.89, 0.00293522/step Wall: 1707.89, 0.00293522/step, 3.59499 hours remaining, 205.484375 MB of memory in use. ENERGY: 590800 736.6885 2096.3790 1959.1800 124.2993 -206025.1152 17744.5683 0.0000 0.0000 34229.1674 -149134.8326 298.9318 -183364.0000 -149042.1426 299.4861 69.8356 100.5701 555487.6327 22.2458 22.0544 PRESSURE: 591000 165.768 18.4889 -209.051 18.4893 -215.518 -50.5502 -209.051 -50.5515 -108.3 GPRESSURE: 591000 268.778 -8.97382 -134.637 69.2693 -230.168 -44.1786 -217.723 -53.5556 -98.5647 PRESSAVG: 591000 17.0976 -83.3835 18.7814 -83.3835 6.54199 -24.7756 18.7814 -24.7755 -3.8224 GPRESSAVG: 591000 18.7263 -83.7916 18.4897 -84.6143 5.56797 -24.3637 20.1868 -25.8553 -4.56791 TIMING: 591000 CPU: 1708.48, 0.00291248/step Wall: 1708.48, 0.00291248/step, 3.56698 hours remaining, 205.484375 MB of memory in use. ENERGY: 591000 719.8025 2077.2532 1919.4133 114.7343 -206218.1893 17774.1498 0.0000 0.0000 34392.5787 -149220.2575 300.3589 -183612.8361 -149128.2324 299.1089 -52.6834 -19.9849 557781.9945 6.6057 6.5754 PRESSURE: 591200 109.88 118.752 -100.741 118.752 -127.407 -14.2759 -100.74 -14.2752 -355.116 GPRESSURE: 591200 100.504 114.337 -195.871 119.586 -85.0944 77.402 -23.1295 -101.796 -295.271 PRESSAVG: 591200 -13.6164 1.11743 4.0693 1.11751 16.0021 -29.5028 4.06934 -29.5028 -10.8369 GPRESSAVG: 591200 -16.0113 1.47111 3.73843 0.700728 16.5321 -30.1449 4.09068 -27.751 -8.84626 TIMING: 591200 CPU: 1709.06, 0.00292636/step Wall: 1709.06, 0.00292636/step, 3.58381 hours remaining, 205.484375 MB of memory in use. ENERGY: 591200 753.3746 2179.0107 1928.6887 117.7255 -206128.2259 17645.7809 0.0000 0.0000 34264.4282 -149239.2173 299.2398 -183503.6455 -149152.2955 299.0412 -124.2140 -93.2870 556695.5312 -2.8171 -2.7752 PRESSURE: 591400 200.75 -111.814 57.8936 -111.812 151.867 -58.7289 57.8937 -58.7294 106.527 GPRESSURE: 591400 251.822 -38.5676 86.4936 -103.164 135.401 -77.3356 50.0448 -111.55 186.046 PRESSAVG: 591400 52.5842 -36.8885 7.59509 -36.8886 -41.5133 -29.4279 7.59513 -29.4279 28.2042 GPRESSAVG: 591400 54.2552 -38.404 7.19351 -35.6178 -41.5161 -31.1679 7.16062 -30.5021 26.9604 TIMING: 591400 CPU: 1709.64, 0.00290576/step Wall: 1709.64, 0.00290576/step, 3.55842 hours remaining, 205.484375 MB of memory in use. ENERGY: 591400 731.3369 2141.2791 1902.5257 113.5673 -206797.7578 18131.7567 0.0000 0.0000 34497.2280 -149280.0640 301.2729 -183777.2920 -149185.2911 299.2797 153.0480 191.0894 557082.9956 13.0917 13.2332 PRESSURE: 591600 69.3344 -39.3266 -11.3815 -39.3261 -334.219 23.9671 -11.3815 23.9669 232.218 GPRESSURE: 591600 144.09 27.7913 55.4399 -98.576 -298.549 31.6111 -38.4582 77.9794 211.503 PRESSAVG: 591600 -40.2437 44.5536 -8.15193 44.5536 -30.8547 13.383 -8.15206 13.383 8.44969 GPRESSAVG: 591600 -40.3585 46.0843 -3.85448 43.5228 -30.5441 13.8642 -9.73928 15.7466 8.13681 TIMING: 591600 CPU: 1710.23, 0.00291442/step Wall: 1710.23, 0.00291442/step, 3.56887 hours remaining, 205.484375 MB of memory in use. ENERGY: 591600 727.7563 2057.1191 1944.0163 114.1076 -206342.6658 17868.1979 0.0000 0.0000 34252.8256 -149378.6431 299.1384 -183631.4687 -149281.3475 299.6733 -10.8889 19.0147 558189.9031 -20.8829 -20.9219 PRESSURE: 591800 122.892 -33.3895 129.999 -33.3905 -245.086 119.507 130 119.506 -207.779 GPRESSURE: 591800 151.347 -36.7223 160.629 -41.4895 -211.625 111.673 41.5262 98.8595 -180.309 PRESSAVG: 591800 65.4717 -16.026 -19.4306 -16.026 -53.9526 32.7825 -19.4307 32.7825 68.0001 GPRESSAVG: 591800 65.3988 -20.0282 -21.8633 -14.7676 -54.1323 32.046 -17.5106 33.0561 68.3187 TIMING: 591800 CPU: 1710.81, 0.00291193/step Wall: 1710.81, 0.00291193/step, 3.56566 hours remaining, 205.484375 MB of memory in use. ENERGY: 591800 736.7982 2139.4889 1926.5797 108.5291 -205999.0560 17617.3353 0.0000 0.0000 34121.0819 -149349.2430 297.9879 -183470.3249 -149247.4462 298.8028 -109.9912 -80.1953 557681.9279 26.5064 26.5284 PRESSURE: 592000 89.7526 -34.7361 96.2608 -34.736 -122.613 -22.7603 96.2602 -22.7592 -169.889 GPRESSURE: 592000 85.2006 -55.0143 123.416 41.3352 -31.1596 -19.414 65.3953 -53.7693 -157.327 PRESSAVG: 592000 26.9878 -9.29803 -16.2279 -9.29805 -43.0893 -36.1055 -16.2278 -36.1054 -5.82407 GPRESSAVG: 592000 26.9523 -7.51799 -17.5875 -9.10383 -42.9451 -37.0208 -16.654 -38.1778 -5.57625 TIMING: 592000 CPU: 1711.39, 0.00291688/step Wall: 1711.39, 0.00291688/step, 3.57156 hours remaining, 205.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 592000 744.4328 2047.4846 1947.4285 113.8017 -206540.7347 17825.2957 0.0000 0.0000 34348.6345 -149513.6568 299.9752 -183862.2914 -149419.3326 298.7435 -67.5833 -34.4287 557354.1660 -7.3085 -7.1897 PRESSURE: 592200 -160.816 58.7418 -62.5549 58.7429 -155.89 -81.0612 -62.5549 -81.0603 -40.9573 GPRESSURE: 592200 -77.2443 110.187 9.55761 -19.6492 -138.479 -77.871 -109.845 -46.8288 -42.2194 PRESSAVG: 592200 14.8882 -42.7869 22.0322 -42.7869 5.44986 -28.3427 22.0322 -28.3428 49.486 GPRESSAVG: 592200 14.6209 -41.2497 22.2117 -44.4674 6.37653 -26.3255 21.5497 -27.3496 49.3348 TIMING: 592200 CPU: 1711.98, 0.00294866/step Wall: 1711.98, 0.00294866/step, 3.61031 hours remaining, 205.484375 MB of memory in use. ENERGY: 592200 741.5289 2161.4896 1918.5073 111.3356 -206060.9804 17635.5937 0.0000 0.0000 34116.5244 -149376.0010 297.9481 -183492.5254 -149277.7923 299.0574 -119.2210 -85.9810 558231.1264 23.2747 23.4441 LDB: ============= START OF LOAD BALANCING ============== 1715.37 LDB: ============== END OF LOAD BALANCING =============== 1715.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1715.37 LDB: ============= START OF LOAD BALANCING ============== 1715.66 LDB: Largest compute 4822 load 0.029763 is 25.3% of average load 0.117799 LDB: Average compute 0.001728 is 1.5% of average load 0.117799 LDB: TIME 1715.67 LOAD: AVG 0.117799 MAX 0.180548 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.539 MB LDB: TIME 1715.67 LOAD: AVG 0.117799 MAX 0.180548 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 1715.67 LOAD: AVG 0.117799 MAX 0.180548 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1715.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1715.67 PRESSURE: 592400 -373.659 76.2648 164.412 76.2647 -222.699 118.592 164.412 118.591 -162.244 GPRESSURE: 592400 -389.245 61.2426 139.09 6.2308 -154.858 135.506 177.711 163.916 -113.11 PRESSAVG: 592400 -62.4339 -31.6269 -2.74462 -31.6269 49.9355 -16.2703 -2.74466 -16.2703 26.5901 GPRESSAVG: 592400 -61.6723 -32.4246 -1.05728 -30.5479 50.1158 -16.5624 -3.76376 -15.5592 25.8456 TIMING: 592400 CPU: 1712.58, 0.00297643/step Wall: 1712.58, 0.00297643/step, 3.64414 hours remaining, 206.132812 MB of memory in use. ENERGY: 592400 767.4420 2090.4438 1949.3064 125.1215 -205847.3705 17541.8694 0.0000 0.0000 34066.7807 -149306.4068 297.5137 -183373.1875 -149221.5739 298.4636 -252.8673 -219.0710 559577.6521 4.6972 4.7630 PRESSURE: 592600 -49.7574 -77.7264 119.5 -77.726 224.942 -44.5607 119.499 -44.5604 140.37 GPRESSURE: 592600 -28.3906 -2.08616 78.8721 -156.486 238.322 39.3337 216.711 -128.263 206.711 PRESSAVG: 592600 -111.257 -7.68701 4.63135 -7.68705 -3.4553 -19.7347 4.63131 -19.7347 87.9658 GPRESSAVG: 592600 -112.071 -7.58762 2.62336 -8.99434 -4.84644 -19.6066 7.29333 -21.6506 89.858 TIMING: 592600 CPU: 1713.16, 0.00293113/step Wall: 1713.16, 0.00293113/step, 3.58852 hours remaining, 206.335938 MB of memory in use. ENERGY: 592600 758.6533 2130.7672 1958.4915 108.8892 -206541.6330 17980.9168 0.0000 0.0000 34156.7154 -149447.1998 298.2991 -183603.9152 -149355.0034 298.5146 105.1851 138.8807 557150.2403 -8.9157 -9.0200 PRESSURE: 592800 77.6512 57.8945 -30.38 57.8945 -3.16596 90.2228 -30.3795 90.2218 72.9416 GPRESSURE: 592800 159.179 133.905 -136.269 18.6826 -6.90284 111.191 -21.4295 58.3184 86.5199 PRESSAVG: 592800 -17.1551 -28.5316 -27.1033 -28.5316 -47.7712 -31.6569 -27.1034 -31.657 85.0956 GPRESSAVG: 592800 -16.3226 -27.9245 -25.93 -27.5608 -48.5445 -33.1955 -28.1102 -31.3589 84.8548 TIMING: 592800 CPU: 1713.75, 0.00290973/step Wall: 1713.75, 0.00290973/step, 3.56216 hours remaining, 206.335938 MB of memory in use. ENERGY: 592800 765.7841 2090.8384 1950.7231 103.9930 -206440.4110 17903.0149 0.0000 0.0000 34184.8540 -149441.2034 298.5448 -183626.0573 -149343.9562 299.2065 49.1423 79.5985 557780.4240 6.7231 6.6625 PRESSURE: 593000 2.90871 6.08591 -86.5236 6.0864 44.834 -124.739 -86.5237 -124.738 210.195 GPRESSURE: 593000 57.9449 17.0276 -94.3132 30.8912 75.6905 -151.259 -116.148 -118.575 211.915 PRESSAVG: 593000 18.6332 -30.5117 -55.8567 -30.5117 -42.4146 -17.4774 -55.8567 -17.4774 46.9317 GPRESSAVG: 593000 18.3694 -29.3291 -54.7293 -31.9319 -41.8904 -16.3714 -57.3313 -17.2627 46.2868 TIMING: 593000 CPU: 1714.33, 0.00290695/step Wall: 1714.33, 0.00290695/step, 3.55859 hours remaining, 206.402344 MB of memory in use. ENERGY: 593000 712.3029 2112.1897 1977.7262 115.3191 -206742.4096 17934.7574 0.0000 0.0000 34274.0183 -149616.0959 299.3235 -183890.1143 -149518.4441 298.3280 85.9791 115.1836 557059.2506 7.7168 7.5886 PRESSURE: 593200 -40.1849 -84.8091 -21.5227 -84.8091 -13.3657 102.913 -21.5233 102.913 319.252 GPRESSURE: 593200 6.58453 -81.8896 -9.12719 -55.9633 -4.5476 160.338 -0.985999 92.9308 352.856 PRESSAVG: 593200 12.7924 49.2956 -16.8802 49.2956 -70.4728 11.2384 -16.8803 11.2384 97.1681 GPRESSAVG: 593200 11.3224 47.2733 -16.6333 50.9357 -69.4195 10.1244 -16.5116 13.2555 97.2686 TIMING: 593200 CPU: 1714.91, 0.00293755/step Wall: 1714.91, 0.00293755/step, 3.59589 hours remaining, 206.402344 MB of memory in use. ENERGY: 593200 746.4387 2065.9172 1951.4024 121.5277 -206663.5807 17960.7271 0.0000 0.0000 33958.9658 -149858.6018 296.5721 -183817.5676 -149755.5096 298.8528 88.5672 118.2976 556267.3970 13.1626 13.0571 PRESSURE: 593400 -76.5449 -38.1957 -40.5302 -38.1964 -80.4969 -224.643 -40.5299 -224.643 0.589126 GPRESSURE: 593400 -52.113 -32.9077 -1.93379 -90.7318 -28.5854 -145.343 -83.8382 -283.589 18.0106 PRESSAVG: 593400 -8.64741 40.4578 2.54159 40.4579 -29.5487 -27.2237 2.54163 -27.2237 24.9878 GPRESSAVG: 593400 -8.31549 40.1646 1.70011 37.529 -30.0784 -25.8832 2.09117 -28.143 25.4223 TIMING: 593400 CPU: 1715.5, 0.00292681/step Wall: 1715.5, 0.00292681/step, 3.58257 hours remaining, 206.402344 MB of memory in use. ENERGY: 593400 748.6616 2072.3935 1954.2648 120.5320 -206466.7974 17792.5733 0.0000 0.0000 33967.3428 -149811.0294 296.6453 -183778.3722 -149714.0164 297.3985 -52.1509 -20.8959 556121.4139 -4.4028 -4.3238 PRESSURE: 593600 -154.231 42.1849 136.109 42.1849 -50.6011 -59.7236 136.111 -59.7235 12.6953 GPRESSURE: 593600 -136.142 59.785 61.0993 20.1804 -5.87364 -145.317 121.931 -104.072 41.6582 PRESSAVG: 593600 -14.4834 24.1744 21.2093 24.1745 -47.9306 -7.81857 21.2093 -7.81837 4.3013 GPRESSAVG: 593600 -13.5038 23.2608 20.9008 25.8619 -48.5869 -11.4114 21.9542 -5.40459 4.53457 TIMING: 593600 CPU: 1716.08, 0.00290094/step Wall: 1716.08, 0.00290094/step, 3.55075 hours remaining, 206.402344 MB of memory in use. ENERGY: 593600 714.8466 2040.8980 1998.9124 120.5745 -206337.9829 17582.2540 0.0000 0.0000 34122.1992 -149758.2981 297.9977 -183880.4974 -149655.8448 297.6542 -64.0455 -33.4525 557211.5960 -19.3709 -19.1854 PRESSURE: 593800 -109.328 -16.4652 89.4413 -16.465 113.862 -91.0204 89.4414 -91.0197 93.8029 GPRESSURE: 593800 -50.3995 -59.681 104.114 70.7566 207.419 -48.021 90.98 -119.269 27.8959 PRESSAVG: 593800 -1.84058 54.3937 -39.5744 54.3937 -35.2818 -25.6118 -39.5745 -25.6119 8.29016 GPRESSAVG: 593800 -2.45335 55.3095 -38.6025 54.0512 -34.765 -24.4325 -39.4743 -27.0479 8.40419 TIMING: 593800 CPU: 1716.66, 0.0029246/step Wall: 1716.66, 0.0029246/step, 3.57954 hours remaining, 206.402344 MB of memory in use. ENERGY: 593800 744.6546 2044.2561 1949.9137 109.8246 -206375.9393 17838.7213 0.0000 0.0000 34105.3565 -149583.2124 297.8506 -183688.5689 -149489.3383 298.0913 32.7791 61.6385 556765.6921 -9.6108 -9.6047 PRESSURE: 594000 120.062 15.9994 -93.0698 15.9976 71.2754 61.8156 -93.0705 61.816 152.623 GPRESSURE: 594000 157.165 125.778 -84.9853 -40.665 75.0208 72.5724 -131.882 114.027 202.786 PRESSAVG: 594000 25.8683 11.5348 -6.16923 11.5349 43.4198 -0.750149 -6.16923 -0.750209 -27.1784 GPRESSAVG: 594000 26.5733 10.4227 -8.49021 12.7426 42.9131 -0.507073 -4.45934 -2.37681 -27.8889 TIMING: 594000 CPU: 1717.25, 0.00291075/step Wall: 1717.25, 0.00291075/step, 3.56243 hours remaining, 206.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 594000 775.4016 2037.0161 1970.5923 122.7673 -206821.2832 18062.6857 0.0000 0.0000 33988.8128 -149864.0075 296.8328 -183852.8203 -149770.2177 297.6638 114.6535 144.9907 555266.7023 14.0366 13.8658 PRESSURE: 594200 -257.79 -9.1405 89.1322 -9.1398 -10.8228 -58.3766 89.1319 -58.375 -41.2449 GPRESSURE: 594200 -224.617 37.9261 28.046 -106.483 -16.0217 -7.63607 51.7697 -41.0163 29.2582 PRESSAVG: 594200 -6.01658 -37.168 -44.1401 -37.1679 34.2752 29.045 -44.1402 29.045 -17.4094 GPRESSAVG: 594200 -6.9317 -35.2259 -42.8705 -38.9032 35.6408 30.4685 -47.0035 28.1808 -18.1178 TIMING: 594200 CPU: 1717.83, 0.00290897/step Wall: 1717.83, 0.00290897/step, 3.56009 hours remaining, 206.402344 MB of memory in use. ENERGY: 594200 756.2213 2032.6435 1935.7179 116.4338 -206144.1196 17636.8201 0.0000 0.0000 33998.0348 -149668.2481 296.9133 -183666.2829 -149572.6668 297.1356 -103.2860 -70.4601 558007.4126 3.6164 3.5304 PRESSURE: 594400 180.819 112.215 -26.7218 112.215 -228.237 8.77133 -26.7223 8.77107 95.9912 GPRESSURE: 594400 240.442 63.3522 41.9877 214.948 -219.756 -3.01839 -38.7548 7.75415 125.27 PRESSAVG: 594400 10.6673 52.4478 -69.05 52.4479 -34.746 -6.92493 -69.05 -6.92489 13.3698 GPRESSAVG: 594400 10.5083 53.1811 -68.6512 52.8503 -34.1617 -6.90019 -67.9814 -7.83746 13.7774 TIMING: 594400 CPU: 1718.42, 0.00294838/step Wall: 1718.42, 0.00294838/step, 3.60817 hours remaining, 206.402344 MB of memory in use. ENERGY: 594400 737.7737 2089.1226 1966.2668 107.8688 -206441.6424 18005.0995 0.0000 0.0000 33952.3146 -149583.1964 296.5140 -183535.5111 -149485.8992 298.3013 16.1912 48.6520 557997.9309 -3.5697 -3.2920 PRESSURE: 594600 -172.37 131.784 -40.3495 131.785 -96.1309 -42.0306 -40.3485 -42.0294 -248.675 GPRESSURE: 594600 -186.613 94.8075 1.40375 8.0915 -38.0022 -98.522 -105.806 -23.8146 -203.93 PRESSAVG: 594600 67.0428 75.823 37.3008 75.8231 -57.5092 42.875 37.3007 42.875 26.7189 GPRESSAVG: 594600 67.2927 76.3666 38.5459 75.7333 -58.4479 43.6108 36.9753 43.5701 27.5035 TIMING: 594600 CPU: 1719, 0.00293098/step Wall: 1719, 0.00293098/step, 3.58671 hours remaining, 206.402344 MB of memory in use. ENERGY: 594600 753.1208 2142.1525 1951.4532 109.5222 -206378.4754 17660.7579 0.0000 0.0000 34175.7776 -149585.6912 298.4656 -183761.4688 -149483.2828 298.4757 -172.3918 -142.8484 557572.4361 12.0842 12.1161 PRESSURE: 594800 -265.475 86.0974 -72.1219 86.0967 -255.175 -26.2801 -72.121 -26.2783 38.0037 GPRESSURE: 594800 -248.415 97.1875 -51.7028 132.463 -209.21 13.2762 -88.0923 -58.6072 69.7646 PRESSAVG: 594800 30.4443 16.567 -14.6286 16.567 3.27235 41.797 -14.6286 41.797 -33.1075 GPRESSAVG: 594800 32.168 16.7936 -16.0484 16.4078 3.7085 42.8487 -13.244 41.9287 -35.0159 TIMING: 594800 CPU: 1719.59, 0.00291759/step Wall: 1719.59, 0.00291759/step, 3.57016 hours remaining, 206.457031 MB of memory in use. ENERGY: 594800 782.2858 2060.7654 1923.1008 111.5696 -206556.8452 17724.6770 0.0000 0.0000 34118.4024 -149836.0443 297.9645 -183954.4467 -149740.9723 298.6792 -160.8822 -129.2867 556450.1702 0.2030 0.2869 PRESSURE: 595000 246.79 -4.69533 15.153 -4.69567 -178.566 86.0067 15.1524 86.007 -244.176 GPRESSURE: 595000 252.964 -5.97494 23.3641 -107.07 -127.181 73.5958 11.0581 89.6465 -209.317 PRESSAVG: 595000 52.7873 40.6069 21.3227 40.6069 -71.7546 7.67666 21.3227 7.67675 2.48088 GPRESSAVG: 595000 53.641 38.3795 21.7957 39.8393 -73.0948 7.07069 20.5592 6.19285 3.33452 TIMING: 595000 CPU: 1720.17, 0.00292232/step Wall: 1720.17, 0.00292232/step, 3.57578 hours remaining, 206.457031 MB of memory in use. ENERGY: 595000 748.6011 2099.8962 1910.9892 110.2244 -206669.3949 17908.8114 0.0000 0.0000 34246.2085 -149644.6642 299.0807 -183890.8727 -149552.6688 298.0684 -58.6508 -27.8445 557321.2799 -5.4955 -5.3731 PRESSURE: 595200 -168.761 -70.9507 -17.6624 -70.95 -181.211 71.9961 -17.6615 71.9959 -347.499 GPRESSURE: 595200 -186.869 -75.0342 -102.009 -57.1923 -102.879 27.4368 6.66375 91.3331 -297.032 PRESSAVG: 595200 85.0626 -11.4245 -24.8046 -11.4244 -57.7997 -24.855 -24.8046 -24.8552 2.71308 GPRESSAVG: 595200 83.9303 -11.1365 -23.2488 -8.28207 -57.3297 -24.9454 -25.6751 -22.8485 3.13173 TIMING: 595200 CPU: 1720.75, 0.00290016/step Wall: 1720.75, 0.00290016/step, 3.54851 hours remaining, 206.457031 MB of memory in use. ENERGY: 595200 752.2288 2043.2085 1957.1686 106.5042 -206075.8309 17498.3803 0.0000 0.0000 34302.6473 -149415.6932 299.5736 -183718.3404 -149323.0780 298.7462 -232.4903 -195.5932 557031.9866 9.9920 9.9108 PRESSURE: 595400 38.3009 146.372 -53.0213 146.372 51.748 -71.2341 -53.0208 -71.2345 -321.532 GPRESSURE: 595400 54.3247 231.344 -126.37 154.76 100.809 -87.0216 -9.30663 -35.069 -289.407 PRESSAVG: 595400 49.2314 32.075 -9.01118 32.0751 36.3109 26.999 -9.01118 26.999 -60.283 GPRESSAVG: 595400 49.8145 29.8657 -9.40959 31.7152 36.7237 26.0117 -7.84637 25.1503 -60.926 TIMING: 595400 CPU: 1721.34, 0.00291182/step Wall: 1721.34, 0.00291182/step, 3.56261 hours remaining, 206.457031 MB of memory in use. ENERGY: 595400 770.2271 2072.1947 1959.9451 115.3549 -206278.6164 17749.8888 0.0000 0.0000 34041.9641 -149569.0417 297.2969 -183611.0057 -149475.6390 298.9968 -77.1612 -44.7579 557475.0370 8.4198 8.5374 PRESSURE: 595600 -61.203 -48.1198 35.356 -48.1201 -101.935 27.7365 35.3551 27.7397 -81.4613 GPRESSURE: 595600 -47.4172 -114.879 59.761 -56.3351 -81.5883 19.4095 36.972 -2.98588 -28.8178 PRESSAVG: 595600 55.2056 8.63922 57.9447 8.6392 -27.0297 -52.993 57.9448 -52.993 -31.088 GPRESSAVG: 595600 54.7045 10.8894 56.4144 6.96817 -26.6316 -53.2006 58.5944 -52.7037 -31.1359 TIMING: 595600 CPU: 1721.92, 0.0029001/step Wall: 1721.92, 0.0029001/step, 3.54811 hours remaining, 206.457031 MB of memory in use. ENERGY: 595600 749.4078 2098.0945 1973.4578 127.3543 -206645.4679 17968.0802 0.0000 0.0000 34164.8319 -149564.2413 298.3700 -183729.0733 -149468.0190 298.1477 -81.5332 -52.6078 558050.5539 -0.9707 -1.0210 PRESSURE: 595800 -129.242 7.72996 75.8349 7.72911 -392.462 50.841 75.8341 50.8411 183.664 GPRESSURE: 595800 -145.702 -27.5388 -19.3828 23.2019 -331.476 89.7644 87.0096 3.65038 228.569 PRESSAVG: 595800 24.1991 -43.4211 37.1292 -43.4212 -14.8774 1.16525 37.1293 1.16507 3.26488 GPRESSAVG: 595800 24.6872 -42.2141 37.3966 -41.3582 -16.5151 1.66478 36.8705 2.58367 3.9849 TIMING: 595800 CPU: 1722.5, 0.00291186/step Wall: 1722.5, 0.00291186/step, 3.56234 hours remaining, 206.457031 MB of memory in use. ENERGY: 595800 745.0370 2078.1215 1932.7195 107.8482 -206182.3622 17778.9921 0.0000 0.0000 34020.2257 -149519.4182 297.1071 -183539.6439 -149425.9282 298.1554 -112.6803 -82.8696 557823.1433 4.1955 4.0523 PRESSURE: 596000 -45.242 -235.681 -15.9815 -235.682 -124.38 67.6894 -15.9817 67.6882 -155.143 GPRESSURE: 596000 -66.1018 -253.672 -11.8968 -217.995 -103.437 135.021 94.4819 54.5332 -63.9578 PRESSAVG: 596000 68.5333 -1.11678 2.94957 -1.11683 -74.0911 51.5868 2.9495 51.5868 0.00872427 GPRESSAVG: 596000 68.5388 -2.37423 3.00162 -0.900979 -72.6994 52.1616 3.57897 51.3786 -1.58743 TIMING: 596000 CPU: 1723.08, 0.00292287/step Wall: 1723.08, 0.00292287/step, 3.57565 hours remaining, 206.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 596000 761.2150 2080.1326 1956.8741 112.4768 -206243.6913 17653.8725 0.0000 0.0000 34315.5213 -149363.5990 299.6860 -183679.1203 -149259.7267 299.0682 -108.2549 -77.8321 558575.3729 -1.8497 -1.9160 PRESSURE: 596200 -64.5894 -24.9022 -72.1088 -24.9009 131.397 155.644 -72.1076 155.644 81.3214 GPRESSURE: 596200 -48.2961 27.4617 -32.3295 -54.2486 169.173 165.62 -38.0508 130.016 113.617 PRESSAVG: 596200 52.168 -15.498 -2.78346 -15.4981 -8.17882 35.0807 -2.78348 35.0806 21.2553 GPRESSAVG: 596200 51.2397 -15.3212 -2.22434 -15.4341 -8.24617 35.0463 -1.43365 35.0463 22.0746 TIMING: 596200 CPU: 1723.67, 0.00291901/step Wall: 1723.67, 0.00291901/step, 3.57076 hours remaining, 206.457031 MB of memory in use. ENERGY: 596200 748.9495 2096.3245 1958.1027 125.0126 -206518.7203 18004.4590 0.0000 0.0000 34213.3564 -149372.5156 298.7938 -183585.8720 -149274.7922 298.9013 49.3764 78.1646 557447.8428 21.7482 21.6894 LDB: ============= START OF LOAD BALANCING ============== 1727.05 LDB: ============== END OF LOAD BALANCING =============== 1727.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1727.05 LDB: ============= START OF LOAD BALANCING ============== 1727.34 LDB: Largest compute 4822 load 0.029962 is 25.4% of average load 0.117804 LDB: Average compute 0.001736 is 1.5% of average load 0.117804 LDB: TIME 1727.35 LOAD: AVG 0.117804 MAX 0.182242 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 1727.35 LOAD: AVG 0.117804 MAX 0.182242 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: TIME 1727.35 LOAD: AVG 0.117804 MAX 0.182242 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1727.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1727.35 PRESSURE: 596400 -208.922 -3.68792 143.146 -3.68721 -69.4154 -39.5758 143.146 -39.5737 -200.467 GPRESSURE: 596400 -222.233 43.877 118.668 7.56203 5.91606 -38.4077 223.882 -29.5757 -168.297 PRESSAVG: 596400 0.363471 9.0367 -40.1972 9.03671 -7.88185 28.4271 -40.1972 28.427 8.57473 GPRESSAVG: 596400 0.0572008 11.3618 -39.0906 6.90295 -8.2273 26.8898 -41.3526 27.2035 9.28969 TIMING: 596400 CPU: 1724.26, 0.0029603/step Wall: 1724.26, 0.0029603/step, 3.6211 hours remaining, 205.675781 MB of memory in use. ENERGY: 596400 781.7915 2142.5136 1961.9800 113.0753 -206193.2109 17679.2346 0.0000 0.0000 34087.6471 -149426.9688 297.6959 -183514.6160 -149331.0265 298.3701 -159.6013 -128.2046 558600.2384 0.3521 0.3732 PRESSURE: 596600 -351.217 44.6087 255.201 44.6081 -144.059 64.9586 255.2 64.9567 -288.596 GPRESSURE: 596600 -310.466 49.2655 263.489 124.191 -134.84 27.484 247.952 152.78 -243.294 PRESSAVG: 596600 -35.4332 0.383111 24.9031 0.38313 10.0985 -23.1725 24.9031 -23.1725 54.5772 GPRESSAVG: 596600 -35.0189 0.283876 24.2807 2.21229 10.7953 -21.5781 22.5403 -23.4275 52.9331 TIMING: 596600 CPU: 1724.84, 0.0029264/step Wall: 1724.84, 0.0029264/step, 3.57947 hours remaining, 205.878906 MB of memory in use. ENERGY: 596600 732.7783 2072.2673 1973.2967 117.8184 -205738.1011 17350.1023 0.0000 0.0000 34201.8262 -149290.0121 298.6931 -183491.8383 -149195.4533 298.6134 -261.2907 -229.5334 559653.3409 9.7475 9.5698 PRESSURE: 596800 36.2923 -38.4982 -19.0036 -38.4989 -57.3079 -46.0228 -19.0043 -46.0209 -76.0246 GPRESSURE: 596800 66.0998 -20.5684 -34.8111 -95.0799 -66.3224 -52.0556 -50.4304 -35.2506 -2.46888 PRESSAVG: 596800 1.1011 37.4268 36.2028 37.4268 -29.624 29.4734 36.2028 29.4734 28.5823 GPRESSAVG: 596800 -0.172121 37.9093 33.8055 38.108 -30.1927 27.7216 37.9332 30.1866 30.1072 TIMING: 596800 CPU: 1725.43, 0.00292319/step Wall: 1725.43, 0.00292319/step, 3.57539 hours remaining, 205.878906 MB of memory in use. ENERGY: 596800 750.1975 2104.8629 1975.9266 113.1741 -206447.2125 17972.0350 0.0000 0.0000 34349.6601 -149181.3564 299.9841 -183531.0165 -149084.1229 299.3478 -32.3467 -0.8972 557888.5667 0.0198 -0.0859 PRESSURE: 597000 101.026 -114.81 110.265 -114.811 -29.1801 5.35941 110.265 5.36126 93.2125 GPRESSURE: 597000 143.697 -127.773 159.68 -162.23 -6.14351 21.1761 145.625 67.4015 113.213 PRESSAVG: 597000 -14.0143 -1.86433 -47.1174 -1.86447 -29.2493 12.4986 -47.1174 12.4985 87.3488 GPRESSAVG: 597000 -13.1184 -2.69852 -44.4138 -3.25422 -28.9179 13.0614 -49.0384 12.4176 85.4644 TIMING: 597000 CPU: 1726.01, 0.00292401/step Wall: 1726.01, 0.00292401/step, 3.57622 hours remaining, 205.878906 MB of memory in use. ENERGY: 597000 742.4688 2144.3320 1949.1584 118.1411 -206290.6727 17925.6965 0.0000 0.0000 34193.6278 -149217.2481 298.6215 -183410.8759 -149120.0621 299.6242 55.0193 83.5886 557746.3147 14.6951 14.4761 PRESSURE: 597200 104.936 -1.71379 -143.316 -1.71425 -45.2728 -63.9362 -143.316 -63.9368 -101.863 GPRESSURE: 597200 171.265 27.928 -143.473 -54.7482 -28.0388 -10.7525 -180.452 -124.096 -98.0317 PRESSAVG: 597200 20.5821 15.113 -34.0072 15.113 -62.928 -7.16862 -34.0074 -7.16849 11.0457 GPRESSAVG: 597200 21.6999 14.4915 -34.0991 15.3776 -63.9206 -7.32189 -33.1514 -6.4497 11.2953 TIMING: 597200 CPU: 1726.6, 0.00291697/step Wall: 1726.6, 0.00291697/step, 3.56746 hours remaining, 205.878906 MB of memory in use. ENERGY: 597200 743.2124 2078.2878 1953.0734 103.3212 -206145.0587 17837.0247 0.0000 0.0000 34199.8563 -149230.2829 298.6759 -183430.1392 -149135.7415 299.2840 -14.0668 15.0649 559002.8889 -10.4334 -10.3085 PRESSURE: 597400 -46.6271 -60.0933 140.758 -60.0934 150.518 71.4416 140.758 71.4411 -105.528 GPRESSURE: 597400 8.77833 -67.5601 130.51 -157.977 175.222 135.511 142.978 25.1468 -78.0879 PRESSAVG: 597400 -1.92226 3.87917 0.327468 3.87912 -1.0577 -31.3263 0.327436 -31.3263 -15.337 GPRESSAVG: 597400 -2.44298 3.67748 0.397275 5.12176 -0.943277 -30.0101 0.836028 -33.6564 -14.917 TIMING: 597400 CPU: 1727.19, 0.00295845/step Wall: 1727.19, 0.00295845/step, 3.61803 hours remaining, 205.878906 MB of memory in use. ENERGY: 597400 774.6094 2056.3532 1980.4022 123.6888 -206433.1697 17878.9099 0.0000 0.0000 34263.2358 -149355.9703 299.2294 -183619.2061 -149262.1449 298.8224 -0.5458 35.3041 557358.9867 -6.1056 -6.1011 PRESSURE: 597600 25.7882 149.691 121.634 149.69 -72.2582 229.249 121.634 229.249 62.2903 GPRESSURE: 597600 36.6361 137.951 11.1571 220.437 -41.4381 219.466 153.707 224.303 111.398 PRESSAVG: 597600 -3.74079 66.0475 -24.0423 66.0474 -28.3203 41.6124 -24.0422 41.6124 0.731506 GPRESSAVG: 597600 -3.72358 65.7233 -22.713 65.7431 -29.127 40.8948 -24.0944 41.9279 1.23745 TIMING: 597600 CPU: 1727.77, 0.00293161/step Wall: 1727.77, 0.00293161/step, 3.58504 hours remaining, 205.878906 MB of memory in use. ENERGY: 597600 737.6664 2081.5040 1987.0862 106.6165 -206317.8881 17917.0435 0.0000 0.0000 34302.8415 -149185.1299 299.5752 -183487.9714 -149088.7801 298.7955 5.2734 35.5319 558086.1655 -10.4432 -10.5377 PRESSURE: 597800 -427.847 -72.1715 60.3198 -72.1707 5.81109 -110.31 60.3217 -110.31 -103.449 GPRESSURE: 597800 -365.517 -54.7379 118.492 -11.47 24.703 -136.972 64.8418 -58.4384 -93.7536 PRESSAVG: 597800 -24.6827 18.3383 1.80053 18.3383 -32.3251 3.85919 1.80058 3.85921 66.001 GPRESSAVG: 597800 -24.9651 18.7057 -0.222591 18.0521 -32.0631 1.86812 1.67424 4.6614 66.0024 TIMING: 597800 CPU: 1728.36, 0.002914/step Wall: 1728.36, 0.002914/step, 3.56334 hours remaining, 205.878906 MB of memory in use. ENERGY: 597800 719.7379 2087.1786 1950.7353 102.3426 -205591.1736 17478.7661 0.0000 0.0000 33851.8841 -149400.5289 295.6369 -183252.4131 -149308.5651 298.6435 -175.1616 -144.8559 559117.1965 2.9977 2.9914 PRESSURE: 598000 8.11244 -3.41539 -109.136 -3.41383 -134.513 11.9184 -109.136 11.9186 -85.9019 GPRESSURE: 598000 77.5923 73.5029 -22.0479 -28.9191 -171.044 13.7494 -134.257 -20.0169 -37.2933 PRESSAVG: 598000 38.6207 15.5267 31.5486 15.5266 -33.8865 -19.7947 31.5486 -19.7949 36.3427 GPRESSAVG: 598000 38.1387 15.1887 30.7551 13.6717 -32.38 -16.0253 32.9864 -22.3804 35.7266 TIMING: 598000 CPU: 1728.94, 0.00291254/step Wall: 1728.94, 0.00291254/step, 3.56139 hours remaining, 205.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 598000 747.0846 2092.5503 1927.6794 117.9094 -205905.2446 17664.0758 0.0000 0.0000 33963.6115 -149392.3336 296.6127 -183355.9451 -149297.0264 298.2150 -70.7673 -43.5818 557184.7046 13.6923 13.8284 PRESSURE: 598200 135.573 -46.4857 -104.327 -46.4855 111.868 -196.857 -104.325 -196.858 -54.3529 GPRESSURE: 598200 119.507 16.9831 -61.5146 45.897 136.858 -167.263 -106.673 -99.3374 29.4939 PRESSAVG: 598200 9.45232 -6.61402 24.3462 -6.61402 -16.7961 -12.8313 24.3462 -12.8314 41.5403 GPRESSAVG: 598200 10.3026 -6.28641 27.0027 -4.00783 -17.4824 -14.1103 22.702 -11.2336 41.9872 TIMING: 598200 CPU: 1729.53, 0.00294554/step Wall: 1729.53, 0.00294554/step, 3.60158 hours remaining, 205.878906 MB of memory in use. ENERGY: 598200 739.7930 2066.1877 1929.2560 115.2549 -206602.3543 18043.4868 0.0000 0.0000 34265.5573 -149442.8186 299.2496 -183708.3759 -149348.5671 298.3666 64.3627 95.2862 556900.3850 11.3988 11.6025 PRESSURE: 598400 131.211 -164.936 -21.0444 -164.938 -128.03 26.352 -21.0438 26.3502 48.1317 GPRESSURE: 598400 120.986 -168.852 -83.9129 -120.911 -88.6623 46.6846 7.75615 4.71565 121.436 PRESSAVG: 598400 39.3756 -0.289772 38.3355 -0.289767 -93.5201 45.9504 38.3355 45.9505 38.5348 GPRESSAVG: 598400 39.6408 -0.115629 35.4927 -0.361248 -94.2071 46.7532 40.023 44.7669 39.1914 TIMING: 598400 CPU: 1730.11, 0.00292012/step Wall: 1730.11, 0.00292012/step, 3.57033 hours remaining, 205.878906 MB of memory in use. ENERGY: 598400 745.6150 2048.1030 1935.9416 118.4280 -206015.0923 17824.1297 0.0000 0.0000 34083.9573 -149258.9178 297.6637 -183342.8751 -149164.2817 298.8607 17.1045 51.2532 557734.4446 -5.2032 -5.1250 PRESSURE: 598600 156.504 119.832 21.386 119.832 -201.897 84.552 21.3867 84.5518 204.175 GPRESSURE: 598600 206.817 75.5787 84.6204 94.1617 -160.415 -23.797 -44.1176 118.874 207.627 PRESSAVG: 598600 30.4932 -0.730918 39.213 -0.730847 -39.4334 24.6026 39.213 24.6026 17.9323 GPRESSAVG: 598600 30.1677 -0.361246 39.8377 -2.70544 -39.2538 23.9709 39.5335 26.2999 18.1419 TIMING: 598600 CPU: 1730.7, 0.00291946/step Wall: 1730.7, 0.00291946/step, 3.56937 hours remaining, 205.878906 MB of memory in use. ENERGY: 598600 750.0220 2115.3242 1948.8039 110.2933 -206314.9603 17876.9226 0.0000 0.0000 34053.0287 -149460.5655 297.3936 -183513.5943 -149355.4934 298.5686 52.9274 84.6763 557144.0543 2.9974 3.0186 PRESSURE: 598800 -95.3936 74.2602 146.205 74.2608 -186.565 18.4052 146.206 18.4041 -33.6264 GPRESSURE: 598800 -89.7708 123.463 46.5304 33.6153 -189.006 47.4973 206.168 1.03427 56.1258 PRESSAVG: 598800 -17.6871 60.5007 66.1527 60.5007 -35.7091 -26.6581 66.1528 -26.6581 49.4574 GPRESSAVG: 598800 -16.8396 61.3488 68.292 62.3911 -35.4378 -25.8666 65.3322 -28.419 49.0884 TIMING: 598800 CPU: 1731.28, 0.00290646/step Wall: 1731.28, 0.00290646/step, 3.55331 hours remaining, 205.878906 MB of memory in use. ENERGY: 598800 739.4674 2129.0152 1945.9178 113.9999 -206116.5295 17529.9455 0.0000 0.0000 34153.0407 -149505.1428 298.2670 -183658.1835 -149409.1104 298.9261 -105.1949 -74.2168 557060.4202 -1.3129 -1.0630 PRESSURE: 599000 -295.942 -4.89816 -86.3744 -4.89745 127.988 12.5006 -86.3749 12.5004 -53.972 GPRESSURE: 599000 -303.708 -22.9706 -9.22962 21.4186 178.639 21.5019 -104.375 -4.94169 -13.1848 PRESSAVG: 599000 28.2857 13.7934 -6.09192 13.7935 28.063 26.6513 -6.09188 26.6514 -12.9875 GPRESSAVG: 599000 27.2228 11.1681 -6.76345 14.6674 28.6537 25.5059 -6.91954 28.5449 -13.6093 TIMING: 599000 CPU: 1731.86, 0.00291137/step Wall: 1731.86, 0.00291137/step, 3.55915 hours remaining, 205.878906 MB of memory in use. ENERGY: 599000 752.5854 2086.2962 1956.9863 114.8274 -206170.5654 17731.3619 0.0000 0.0000 34318.6001 -149209.9081 299.7129 -183528.5082 -149112.5373 298.9438 -73.9753 -46.0844 557621.7594 14.4537 14.0891 PRESSURE: 599200 -275.006 70.4866 34.8679 70.4872 -20.4866 -177.357 34.8672 -177.358 -52.9269 GPRESSURE: 599200 -204.212 57.3691 7.78568 102.283 13.9281 -145.666 57.6212 -121.092 -66.2209 PRESSAVG: 599200 0.933903 3.57019 7.45916 3.5703 26.0876 -11.8186 7.45918 -11.8186 -39.5794 GPRESSAVG: 599200 0.11235 1.5457 5.54441 4.14901 26.7332 -11.4766 8.94449 -12.8378 -39.7333 TIMING: 599200 CPU: 1732.45, 0.0029259/step Wall: 1732.45, 0.0029259/step, 3.57675 hours remaining, 205.878906 MB of memory in use. ENERGY: 599200 751.9295 2096.8590 1932.9499 109.9035 -206194.2845 17679.1132 0.0000 0.0000 34475.6399 -149147.8896 301.0843 -183623.5294 -149045.8611 299.8197 -116.1398 -85.5014 557444.5102 -4.1859 -4.2959 PRESSURE: 599400 -25.9493 33.1691 -24.2632 33.1694 -25.821 37.1604 -24.2629 37.1589 -132.921 GPRESSURE: 599400 20.3398 134.692 -0.332159 34.4291 14.2949 5.11099 -125.267 140.15 -110.426 PRESSAVG: 599400 -10.5941 -1.42542 -23.4654 -1.42533 28.8539 24.0582 -23.4654 24.0581 1.47115 GPRESSAVG: 599400 -9.79194 1.44784 -22.1458 -3.83722 27.6674 24.1125 -24.978 24.2411 1.64106 TIMING: 599400 CPU: 1733.02, 0.00289303/step Wall: 1733.02, 0.00289303/step, 3.53641 hours remaining, 205.878906 MB of memory in use. ENERGY: 599400 750.6809 2063.5077 1943.7378 114.6568 -205954.4953 17589.6238 0.0000 0.0000 34402.9319 -149089.3563 300.4494 -183492.2882 -148989.9254 300.0981 -61.5638 -25.2640 556205.3599 6.5770 6.5055 PRESSURE: 599600 127.595 -107.33 -96.6624 -107.328 201.718 33.4741 -96.6621 33.4739 -135.87 GPRESSURE: 599600 143.485 -135.752 -61.298 -43.6683 195.165 15.1602 -128.65 59.0081 -60.7113 PRESSAVG: 599600 -14.6651 -22.5079 -45.3542 -22.5078 45.5885 -3.45844 -45.3542 -3.45844 -5.39029 GPRESSAVG: 599600 -15.4082 -23.1626 -46.1301 -21.3591 44.5737 -2.8106 -45.5386 -3.15895 -3.76404 TIMING: 599600 CPU: 1733.61, 0.00290615/step Wall: 1733.61, 0.00290615/step, 3.55228 hours remaining, 205.878906 MB of memory in use. ENERGY: 599600 755.0331 2195.0998 1959.2360 113.0116 -206147.0569 17931.0375 0.0000 0.0000 34157.2222 -149036.4167 298.3035 -183193.6389 -148937.8804 300.6650 64.4810 92.6460 556651.3057 8.5110 8.4671 PRESSURE: 599800 145.57 -7.06556 -77.9236 -7.0646 -4.63842 -14.3952 -77.9247 -14.3951 -155.097 GPRESSURE: 599800 132.171 -16.763 -171.955 14.1644 40.9228 -1.09572 -3.93817 -48.8178 -97.6014 PRESSAVG: 599800 16.1621 -20.6648 -36.5396 -20.6648 38.6441 -18.5999 -36.5396 -18.5998 -30.1169 GPRESSAVG: 599800 17.2464 -20.0821 -34.4417 -20.735 37.3568 -17.9887 -35.9246 -20.7857 -30.0188 TIMING: 599800 CPU: 1734.19, 0.00290744/step Wall: 1734.19, 0.00290744/step, 3.5537 hours remaining, 205.878906 MB of memory in use. ENERGY: 599800 747.1107 2089.4599 1948.5654 122.7142 -206010.3488 17750.4050 0.0000 0.0000 34355.6894 -148996.4043 300.0368 -183352.0937 -148895.2422 300.1171 -4.7216 25.1641 558815.6791 8.2298 8.1948 PRESSURE: 600000 72.8249 89.1966 -59.268 89.1972 73.9291 104.766 -59.2687 104.768 -284.309 GPRESSURE: 600000 38.0015 -9.89027 -25.2508 181.606 82.8493 33.6851 -101.539 115.453 -151.781 PRESSAVG: 600000 -11.7203 -6.09478 -4.71989 -6.09474 71.9275 53.5867 -4.71981 53.5868 -52.3949 GPRESSAVG: 600000 -13.0941 -6.00581 -5.65791 -5.85461 74.2373 50.8749 -6.21671 55.995 -52.6209 TIMING: 600000 CPU: 1734.77, 0.00289905/step Wall: 1734.77, 0.00289905/step, 3.54329 hours remaining, 205.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 600000 739.4700 2132.6676 1935.6114 106.5281 -206205.8151 17782.8947 0.0000 0.0000 34428.7723 -149079.8710 300.6750 -183508.6433 -148984.0400 300.3517 -45.8517 -10.3101 557226.7709 2.6041 2.8408 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.010 seconds, 205.879 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 -170.272 24.5388 -71.8789 24.5392 -33.416 177.015 -71.8776 177.017 8.55942 GPRESSURE: 600200 -113.34 30.5739 -72.6003 50.0873 60.9209 119.186 -123.965 178.743 -38.3168 PRESSAVG: 600200 3.22158 20.8947 -39.8019 20.8948 88.8303 69.7619 -39.802 69.7619 -23.1744 GPRESSAVG: 600200 4.09114 20.359 -39.4041 21.3269 88.3494 70.9651 -37.2659 68.022 -23.4265 TIMING: 600200 CPU: 1735.36, 0.00297077/step Wall: 1735.36, 0.00297077/step, 3.63077 hours remaining, 205.878906 MB of memory in use. ENERGY: 600200 729.5679 2073.7155 1938.4408 129.7259 -205888.5290 17726.4040 0.0000 0.0000 34436.6095 -148854.0654 300.7435 -183290.6749 -148763.6449 299.6510 -65.0428 -30.2454 557916.9727 22.9591 23.0047 LDB: ============= START OF LOAD BALANCING ============== 1738.75 LDB: ============== END OF LOAD BALANCING =============== 1738.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1738.75 LDB: ============= START OF LOAD BALANCING ============== 1739.04 LDB: Largest compute 4822 load 0.031822 is 27.0% of average load 0.117868 LDB: Average compute 0.001739 is 1.5% of average load 0.117868 LDB: TIME 1739.04 LOAD: AVG 0.117868 MAX 0.181689 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.891 MB LDB: TIME 1739.04 LOAD: AVG 0.117868 MAX 0.181689 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: TIME 1739.04 LOAD: AVG 0.117868 MAX 0.181689 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: ============== END OF LOAD BALANCING =============== 1739.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1739.05 PRESSURE: 600400 138.796 -28.6804 -125.264 -28.679 -113.961 87.9934 -125.264 87.9928 134.313 GPRESSURE: 600400 107.027 -42.0331 -143.654 -18.8372 -67.7111 119.841 -174.192 29.2677 211.392 PRESSAVG: 600400 4.61224 -5.93318 -5.493 -5.93318 23.2786 43.2424 -5.49301 43.2424 -5.18459 GPRESSAVG: 600400 5.75797 -5.64139 -9.22699 -5.85494 22.2562 41.8176 -4.68483 46.2293 -5.16976 TIMING: 600400 CPU: 1735.96, 0.00297353/step Wall: 1735.96, 0.00297353/step, 3.63398 hours remaining, 209.136719 MB of memory in use. ENERGY: 600400 754.5891 2122.9792 1946.6429 129.2878 -205678.7529 17705.8374 0.0000 0.0000 34314.5891 -148704.8274 299.6778 -183019.4166 -148611.2751 301.1008 53.0494 83.5694 557827.6683 7.5688 7.6148 PRESSURE: 600600 -75.9811 62.5065 1.26832 62.5062 104.294 8.41875 1.26844 8.41816 196.939 GPRESSURE: 600600 -14.764 76.3434 54.4763 71.5373 115.133 0.466683 -87.83 51.0799 210.455 PRESSAVG: 600600 -5.48842 -34.0612 -54.7823 -34.0611 -22.0833 32.0757 -54.7822 32.0756 25.0596 GPRESSAVG: 600600 -6.42082 -32.6539 -53.2785 -34.5917 -21.4606 33.9259 -54.9772 30.1383 25.634 TIMING: 600600 CPU: 1736.53, 0.002898/step Wall: 1736.53, 0.002898/step, 3.54151 hours remaining, 209.339844 MB of memory in use. ENERGY: 600600 741.7331 2149.1450 1953.7853 121.8490 -206020.0114 17944.0171 0.0000 0.0000 34496.5699 -148612.9121 301.2671 -183109.4819 -148521.9556 300.3835 75.0837 103.6082 557684.9256 -0.8374 -0.7491 PRESSURE: 600800 -125.557 -7.54944 -11.0419 -7.54958 -238.435 -104.394 -11.0418 -104.392 -252.759 GPRESSURE: 600800 -90.8067 -122.761 -86.0893 3.0275 -234.849 -46.4616 76.9185 -175.061 -182.8 PRESSAVG: 600800 -63.1094 19.4138 39.048 19.4137 -36.8596 -50.1156 39.0479 -50.1157 91.9027 GPRESSAVG: 600800 -62.8123 17.2591 39.6398 20.5913 -36.8221 -50.9198 39.0863 -51.3966 91.7148 TIMING: 600800 CPU: 1737.12, 0.00291279/step Wall: 1737.12, 0.00291279/step, 3.55943 hours remaining, 209.339844 MB of memory in use. ENERGY: 600800 762.2994 2083.4041 1947.1360 115.5815 -205220.8458 17387.6685 0.0000 0.0000 34211.5827 -148713.1736 298.7783 -182924.7563 -148620.0234 300.6983 -205.5834 -169.4851 559431.4995 -2.6887 -2.6399 PRESSURE: 601000 -4.9682 -5.79466 -47.1094 -5.79449 -7.33325 -0.749675 -47.1095 -0.748733 18.8773 GPRESSURE: 601000 30.2528 26.486 31.6263 -116.462 23.0357 -57.4354 -61.147 64.1776 38.1828 PRESSAVG: 601000 31.4223 33.2455 5.05534 33.2456 -44.5901 -23.7711 5.05529 -23.7712 1.11209 GPRESSAVG: 601000 31.0655 35.4353 5.32619 32.5625 -44.7337 -23.5138 4.81431 -22.0565 1.2595 TIMING: 601000 CPU: 1737.7, 0.00290908/step Wall: 1737.7, 0.00290908/step, 3.55473 hours remaining, 209.339844 MB of memory in use. ENERGY: 601000 732.4332 2140.4315 1969.2845 97.1674 -205791.2494 17787.3333 0.0000 0.0000 34498.3226 -148566.2768 301.2824 -183064.5995 -148463.2495 300.1691 2.1920 30.4905 559102.7444 -4.0186 -4.1362 PRESSURE: 601200 -51.1957 166.459 -81.3074 166.458 -345.425 -4.77522 -81.3073 -4.7759 -25.1513 GPRESSURE: 601200 -22.3966 96.6979 -154.516 164.508 -289.18 34.3839 -92.2772 7.44062 -12.9289 PRESSAVG: 601200 -18.1541 -50.693 -32.1971 -50.693 -52.3391 -27.2228 -32.1972 -27.2228 51.7453 GPRESSAVG: 601200 -18.1803 -50.4774 -31.9892 -50.9411 -51.5449 -28.2809 -32.9142 -28.6588 50.8256 TIMING: 601200 CPU: 1738.28, 0.0028995/step Wall: 1738.28, 0.0028995/step, 3.54287 hours remaining, 209.339844 MB of memory in use. ENERGY: 601200 776.2446 2101.3273 1958.4472 126.9272 -205713.9579 17600.7979 0.0000 0.0000 34572.6111 -148577.6027 301.9312 -183150.2137 -148485.9730 301.2404 -140.5908 -108.1684 557509.9190 -6.2493 -6.2999 PRESSURE: 601400 -135.887 -154.961 69.3949 -154.961 -29.7082 120.389 69.3938 120.389 -161.814 GPRESSURE: 601400 -71.5951 -140.696 56.3953 -115.338 -33.7906 108.137 97.2622 151.002 -115.979 PRESSAVG: 601400 21.4907 -56.2547 -0.258944 -56.2547 -76.19 60.6711 -0.258938 60.671 42.4446 GPRESSAVG: 601400 22.077 -57.2289 0.329161 -57.2146 -77.5611 64.2304 -0.487758 61.8719 43.1557 TIMING: 601400 CPU: 1738.87, 0.00294003/step Wall: 1738.87, 0.00294003/step, 3.59223 hours remaining, 209.339844 MB of memory in use. ENERGY: 601400 752.8562 2146.7488 1963.7376 110.8381 -205645.7221 17602.1407 0.0000 0.0000 34403.7056 -148665.6950 300.4561 -183069.4007 -148571.9923 301.0587 -109.1362 -73.7883 556578.0535 -4.0849 -4.1095 PRESSURE: 601600 1.65818 -70.7305 -87.0366 -70.7306 109.568 -9.14912 -87.0385 -9.14922 22.7976 GPRESSURE: 601600 65.1418 -124.889 -97.9919 -9.42069 98.0051 -28.894 -86.7981 44.0637 77.4562 PRESSAVG: 601600 -30.6124 -41.7842 20.2518 -41.7842 -5.55638 40.9998 20.2518 41 34.686 GPRESSAVG: 601600 -30.117 -40.2422 20.7985 -41.3661 -5.97804 38.9039 21.3285 39.9851 35.1198 TIMING: 601600 CPU: 1739.45, 0.00291741/step Wall: 1739.45, 0.00291741/step, 3.56443 hours remaining, 209.339844 MB of memory in use. ENERGY: 601600 746.2696 2163.9062 1970.1014 129.1268 -206165.6677 17937.3790 0.0000 0.0000 34447.6459 -148771.2387 300.8399 -183218.8847 -148678.3000 301.2112 44.6745 80.2010 558684.9859 -0.4943 -0.3251 PRESSURE: 601800 86.1898 30.9157 38.6072 30.9169 -53.0252 -33.6143 38.6087 -33.6147 -63.5721 GPRESSURE: 601800 135.127 90.4923 -49.9394 44.2665 -11.9031 12.3196 52.5075 -49.1412 -59.1566 PRESSAVG: 601800 -34.4312 -0.461526 38.073 -0.461582 -20.9208 -13.0828 38.073 -13.0827 29.6453 GPRESSAVG: 601800 -35.4645 -2.89624 37.103 2.42017 -19.6021 -12.0634 36.9813 -14.0031 29.0886 TIMING: 601800 CPU: 1740.03, 0.00289757/step Wall: 1740.03, 0.00289757/step, 3.54003 hours remaining, 209.339844 MB of memory in use. ENERGY: 601800 718.1011 2126.4439 1937.4815 121.3171 -206074.2781 17838.2458 0.0000 0.0000 34687.0915 -148645.5972 302.9310 -183332.6887 -148541.8532 300.8550 -10.1358 21.3556 557949.3924 -8.5689 -8.6594 PRESSURE: 602000 -122.461 -245.882 15.0068 -245.882 163.242 42.1143 15.0081 42.1155 341.91 GPRESSURE: 602000 -108.607 -173.256 25.3263 -255.034 200.499 19.4563 24.5105 72.6757 381.381 PRESSAVG: 602000 24.4234 27.3192 40.7121 27.3192 -64.0411 8.21127 40.712 8.21129 14.1676 GPRESSAVG: 602000 24.3081 27.4761 41.2502 26.7441 -63.2649 6.82271 42.2004 9.87118 13.9048 TIMING: 602000 CPU: 1740.61, 0.0028993/step Wall: 1740.61, 0.0028993/step, 3.54198 hours remaining, 209.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 602000 735.8648 2160.4914 1946.2754 107.2790 -206549.8203 18088.8756 0.0000 0.0000 34693.7741 -148817.2600 302.9894 -183511.0341 -148726.9894 301.5834 127.5637 157.7578 558948.6945 -8.4833 -8.3507 PRESSURE: 602200 -102.475 -69.926 -28.3953 -69.9267 -73.8847 105.955 -28.3962 105.955 60.9546 GPRESSURE: 602200 -12.5404 -19.0052 -24.541 -9.35247 -61.9416 119.965 -74.9132 39.8351 42.7639 PRESSAVG: 602200 -7.04378 17.0488 -1.1574 17.0487 27.7802 18.9538 -1.15734 18.9538 -39.408 GPRESSAVG: 602200 -6.4778 16.5314 -1.12732 17.3299 27.1198 17.8688 -2.48681 19.9568 -40.008 TIMING: 602200 CPU: 1741.19, 0.0028815/step Wall: 1741.19, 0.0028815/step, 3.52007 hours remaining, 209.339844 MB of memory in use. ENERGY: 602200 745.5743 2149.5967 1951.8385 114.8622 -206077.8428 17849.8883 0.0000 0.0000 34185.7646 -149080.3182 298.5528 -183266.0828 -148990.8788 299.9101 -38.4683 -10.5727 560081.6711 -6.2238 -6.4553 PRESSURE: 602400 -372.168 117.516 132.034 117.517 -134.188 -0.814399 132.035 -0.81215 -40.2761 GPRESSURE: 602400 -269.053 110.128 -69.2603 173.962 -152.062 -50.9331 201.028 49.1884 -24.9258 PRESSAVG: 602400 -11.0059 -32.0846 -8.88528 -32.0846 -16.4268 -17.3215 -8.88524 -17.3215 -4.63379 GPRESSAVG: 602400 -11.5454 -31.7692 -11.8966 -33.6904 -16.3899 -16.1307 -6.82725 -19.3858 -4.04153 TIMING: 602400 CPU: 1741.77, 0.00290859/step Wall: 1741.77, 0.00290859/step, 3.553 hours remaining, 209.339844 MB of memory in use. ENERGY: 602400 778.6778 2149.9278 1927.5064 114.2929 -205980.3746 17703.8988 0.0000 0.0000 34327.3633 -148978.7077 299.7894 -183306.0711 -148881.0627 299.6053 -182.2108 -148.6802 559225.6460 -10.6888 -10.6589 PRESSURE: 602600 -203.632 37.1822 -59.191 37.1831 136.52 62.5078 -59.1898 62.5088 -165.915 GPRESSURE: 602600 -160.504 56.2766 53.5874 46.0259 185.716 39.154 -50.0893 106.736 -170.213 PRESSAVG: 602600 -27.1333 -21.1689 3.41399 -21.1689 68.9987 12.6251 3.41388 12.6251 -19.2529 GPRESSAVG: 602600 -26.512 -21.5618 5.43011 -19.9346 68.767 11.6522 3.39527 13.2434 -19.713 TIMING: 602600 CPU: 1742.35, 0.00292559/step Wall: 1742.35, 0.00292559/step, 3.57361 hours remaining, 209.339844 MB of memory in use. ENERGY: 602600 738.4681 2142.2379 1950.4972 127.5091 -206205.4250 17772.7570 0.0000 0.0000 34492.4864 -148981.4694 301.2315 -183473.9557 -148873.5345 299.9391 -77.6756 -48.3335 558277.5292 7.5375 7.5140 PRESSURE: 602800 -147.016 -2.36469 -141.025 -2.36473 -273.665 -82.3435 -141.025 -82.3438 -214.566 GPRESSURE: 602800 -122.228 -9.28617 -101.648 -28.1358 -250.211 -9.65395 -151.338 -194.415 -171.574 PRESSAVG: 602800 -4.2839 36.1476 -44.4911 36.1477 20.2318 -0.833488 -44.491 -0.83352 -43.3693 GPRESSAVG: 602800 -5.12248 35.2699 -45.1771 37.6841 20.3852 -0.897409 -47.1435 -0.460432 -42.0584 TIMING: 602800 CPU: 1742.93, 0.00290162/step Wall: 1742.93, 0.00290162/step, 3.54417 hours remaining, 209.339844 MB of memory in use. ENERGY: 602800 722.5062 2112.3889 1985.4761 126.4740 -205776.1937 17445.6610 0.0000 0.0000 34296.6481 -149087.0393 299.5212 -183383.6874 -148995.2042 299.7491 -211.7489 -181.3374 558975.0902 -9.1405 -8.9319 PRESSURE: 603000 -270.291 107.221 -0.808278 107.222 -175.115 176.833 -0.807386 176.835 -167.286 GPRESSURE: 603000 -239.98 50.246 -65.5147 147.358 -196.768 132.629 32.4368 95.8054 -86.0564 PRESSAVG: 603000 11.2477 10.6129 14.3397 10.6129 4.61149 -35.6792 14.3397 -35.6792 -2.0422 GPRESSAVG: 603000 12.8398 12.6137 15.2528 9.45403 4.21811 -34.5833 15.8871 -35.2154 -2.6391 TIMING: 603000 CPU: 1743.51, 0.00288876/step Wall: 1743.51, 0.00288876/step, 3.5283 hours remaining, 209.339844 MB of memory in use. ENERGY: 603000 775.4268 2131.5990 1944.0572 123.6609 -205776.0377 17474.8388 0.0000 0.0000 34293.8412 -149032.6140 299.4966 -183326.4551 -148925.4948 299.9658 -204.2308 -174.2680 558535.7521 4.6057 4.8063 PRESSURE: 603200 -289.712 -185.592 42.9363 -185.593 -334.213 196.376 42.9361 196.377 -224.857 GPRESSURE: 603200 -283.452 -212.072 62.428 -144.878 -309.949 186.706 90.0449 217.839 -150.722 PRESSAVG: 603200 19.6651 8.61133 48.9544 8.61136 -17.0209 22.6038 48.9544 22.6039 -30.311 GPRESSAVG: 603200 18.0629 8.83999 49.824 5.56622 -15.7814 22.0207 49.2157 22.2262 -29.3803 TIMING: 603200 CPU: 1744.09, 0.00289982/step Wall: 1744.09, 0.00289982/step, 3.54165 hours remaining, 209.339844 MB of memory in use. ENERGY: 603200 776.9100 2135.3547 1943.6113 103.5297 -205917.8068 17510.5579 0.0000 0.0000 34520.4139 -148927.4293 301.4754 -183447.8431 -148829.0731 300.2063 -282.9273 -248.0408 558076.8003 -9.2223 -9.0330 PRESSURE: 603400 -190.673 28.3412 163.491 28.3402 -220.259 -14.9133 163.492 -14.9122 -192.711 GPRESSURE: 603400 -98.6076 -64.8372 130.797 53.4462 -240.893 -4.49556 120.551 11.0722 -164.961 PRESSAVG: 603400 -46.0602 41.6366 15.183 41.6368 38.2658 7.50494 15.183 7.505 -13.8015 GPRESSAVG: 603400 -44.6376 38.9055 14.4336 44.6346 36.6707 7.05648 15.7745 7.71877 -13.45 TIMING: 603400 CPU: 1744.67, 0.00287231/step Wall: 1744.67, 0.00287231/step, 3.50789 hours remaining, 209.339844 MB of memory in use. ENERGY: 603400 783.6087 2148.2919 1951.8278 130.3090 -206063.2913 17653.4837 0.0000 0.0000 34243.4402 -149152.3299 299.0565 -183395.7701 -149064.6993 300.2004 -201.2146 -168.1538 557703.8822 -7.1986 -7.1390 PRESSURE: 603600 -118.151 60.6968 -172.577 60.6961 -155.248 -18.6877 -172.578 -18.688 -50.2207 GPRESSURE: 603600 -102.419 80.7031 -117.154 50.0795 -113.515 -73.3308 -228.747 -27.2134 0.0176704 PRESSAVG: 603600 -13.0842 -5.49225 -5.739 -5.49234 59.2561 30.5601 -5.739 30.5601 -45.5615 GPRESSAVG: 603600 -13.6087 -2.99517 -7.56354 -7.20953 60.3457 31.6074 -5.31427 30.6956 -45.6677 TIMING: 603600 CPU: 1745.25, 0.00292958/step Wall: 1745.25, 0.00292958/step, 3.57767 hours remaining, 209.339844 MB of memory in use. ENERGY: 603600 769.3670 2130.9599 1957.5666 115.4282 -206231.4872 17825.6019 0.0000 0.0000 34300.7481 -149131.8156 299.5570 -183432.5637 -149037.9181 299.2572 -107.8733 -71.9722 559308.0683 0.2035 0.3564 PRESSURE: 603800 -125.383 60.6143 -228.903 60.6139 -96.7609 -58.7472 -228.903 -58.7481 -99.5138 GPRESSURE: 603800 -91.9414 71.4135 -174.197 73.6322 -75.6731 -29.7761 -199.059 -93.7859 -47.1817 PRESSAVG: 603800 84.8492 0.789318 -37.9021 0.789305 -34.4807 57.4541 -37.902 57.4543 -67.7107 GPRESSAVG: 603800 85.2856 -1.09046 -36.5524 2.05998 -33.8579 57.7701 -39.7812 57.6808 -68.1724 TIMING: 603800 CPU: 1745.84, 0.00293175/step Wall: 1745.84, 0.00293175/step, 3.58015 hours remaining, 209.339844 MB of memory in use. ENERGY: 603800 785.0671 2113.0374 1933.2571 118.6487 -206222.5283 17838.5638 0.0000 0.0000 34169.6754 -149264.2788 298.4123 -183433.9542 -149169.7512 298.7596 -107.2192 -71.5987 558362.4181 -5.7807 -5.5816 PRESSURE: 604000 15.528 -58.7358 99.2959 -58.7366 -124.959 162.566 99.2951 162.564 -75.757 GPRESSURE: 604000 23.889 -42.1269 80.2856 -113.488 -107.941 137.465 68.6098 150.03 1.3989 PRESSAVG: 604000 9.59022 -29.5843 -13.3219 -29.5842 19.0211 7.12002 -13.3218 7.1199 -6.3118 GPRESSAVG: 604000 9.85758 -27.5816 -14.5162 -31.5684 18.6681 9.2482 -13.0376 5.19302 -6.32557 TIMING: 604000 CPU: 1746.42, 0.00290757/step Wall: 1746.42, 0.00290757/step, 3.55047 hours remaining, 209.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 604000 792.9276 2079.0685 1967.1124 110.6100 -206596.6533 18251.3739 0.0000 0.0000 34120.5714 -149274.9894 297.9834 -183395.5608 -149184.3773 299.1642 -61.7293 -27.5509 559844.7179 7.4332 7.4000 PRESSURE: 604200 -311.95 -14.1015 99.23 -14.1018 -79.0042 -220.125 99.23 -220.125 125.101 GPRESSURE: 604200 -260.338 28.2403 63.0655 -76.9363 -54.1531 -217.414 68.3981 -178.812 144.946 PRESSAVG: 604200 -6.39165 10.2604 24.13 10.2604 -30.9536 28.1273 24.13 28.1275 100.248 GPRESSAVG: 604200 -6.98455 8.32192 25.4139 12.3728 -29.6928 27.4867 24.4596 29.0752 99.7413 TIMING: 604200 CPU: 1747, 0.00289939/step Wall: 1747, 0.00289939/step, 3.54031 hours remaining, 209.339844 MB of memory in use. ENERGY: 604200 772.6107 2106.3114 1930.2037 122.7393 -206405.6767 17881.1925 0.0000 0.0000 34279.0416 -149313.5774 299.3674 -183592.6190 -149218.2937 299.9004 -88.6179 -56.5151 559798.5519 20.9677 21.0213 LDB: ============= START OF LOAD BALANCING ============== 1750.38 LDB: ============== END OF LOAD BALANCING =============== 1750.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1750.39 LDB: ============= START OF LOAD BALANCING ============== 1750.68 LDB: Largest compute 4820 load 0.029257 is 24.8% of average load 0.117831 LDB: Average compute 0.001730 is 1.5% of average load 0.117831 LDB: TIME 1750.68 LOAD: AVG 0.117831 MAX 0.181836 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.195 MB LDB: TIME 1750.68 LOAD: AVG 0.117831 MAX 0.181836 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: TIME 1750.68 LOAD: AVG 0.117831 MAX 0.181836 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: ============== END OF LOAD BALANCING =============== 1750.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1750.69 PRESSURE: 604400 26.7845 15.1438 -9.29687 15.1447 -25.8343 -110.593 -9.29835 -110.595 -170.853 GPRESSURE: 604400 45.536 4.90761 -38.2768 9.07067 -1.41768 -118.286 20.0883 -119.508 -133.716 PRESSAVG: 604400 -4.30318 50.9686 53.3634 50.9686 -63.4528 -11.5749 53.3636 -11.575 12.4068 GPRESSAVG: 604400 -3.64095 52.5404 53.8407 50.4649 -65.2069 -12.3355 52.1006 -12.0469 13.5322 TIMING: 604400 CPU: 1747.59, 0.00297119/step Wall: 1747.59, 0.00297119/step, 3.62782 hours remaining, 205.105469 MB of memory in use. ENERGY: 604400 773.4604 2040.3491 1948.6668 115.4037 -206508.1014 17953.8512 0.0000 0.0000 34374.7172 -149301.6530 300.2030 -183676.3701 -149205.1766 299.1271 -56.6343 -29.8658 558703.8965 -18.4497 -18.4386 PRESSURE: 604600 -109.961 53.4473 -59.3615 53.4459 70.8613 -77.1278 -59.3603 -77.1272 -230.388 GPRESSURE: 604600 -46.5585 29.7689 -15.3825 85.9171 131.207 -197.663 -95.3735 -72.559 -254.904 PRESSAVG: 604600 34.5705 -28.8475 48.2859 -28.8474 46.5968 -47.6499 48.2859 -47.6498 -13.3073 GPRESSAVG: 604600 33.3727 -29.3137 48.6169 -30.7672 46.7211 -47.9526 49.3867 -47.7423 -12.1343 TIMING: 604600 CPU: 1748.18, 0.00294355/step Wall: 1748.18, 0.00294355/step, 3.59391 hours remaining, 205.105469 MB of memory in use. ENERGY: 604600 819.7418 2118.7995 1949.6886 112.0728 -206553.8189 17949.5498 0.0000 0.0000 34171.4712 -149432.4952 298.4280 -183603.9664 -149344.9792 299.1861 -89.8293 -56.7516 557967.3276 22.6200 22.6532 PRESSURE: 604800 61.7433 13.7779 -105.309 13.7769 246.457 -63.163 -105.308 -63.1632 145.099 GPRESSURE: 604800 134.707 -34.3338 -28.4677 54.5286 318.89 -95.0434 -136.353 -59.1409 99.4371 PRESSAVG: 604800 5.81457 -31.7888 -31.3189 -31.7889 0.767233 -5.21476 -31.3189 -5.21476 -0.773547 GPRESSAVG: 604800 6.33007 -30.8829 -33.7362 -29.9751 1.19557 -5.95265 -30.3374 -4.3704 -1.8976 TIMING: 604800 CPU: 1748.77, 0.0029264/step Wall: 1748.77, 0.0029264/step, 3.57281 hours remaining, 205.105469 MB of memory in use. ENERGY: 604800 724.4653 2092.0231 1953.7235 124.5437 -206631.8801 18046.1270 0.0000 0.0000 34301.7106 -149389.2867 299.5654 -183690.9973 -149286.5037 298.6890 151.0999 184.3446 556881.5986 1.9361 1.8760 PRESSURE: 605000 -54.0722 -92.7838 48.7845 -92.7844 -120.29 80.2182 48.7829 80.2178 -32.474 GPRESSURE: 605000 -54.173 -128.589 9.19112 -94.4212 -85.1677 60.0819 -10.9977 62.8707 33.8688 PRESSAVG: 605000 0.0288898 -78.9016 -36.3126 -78.9017 4.66669 -23.4604 -36.3127 -23.4604 -0.049029 GPRESSAVG: 605000 0.294224 -77.6244 -33.6218 -80.3741 5.13526 -24.3014 -38.6336 -22.4179 -0.309581 TIMING: 605000 CPU: 1749.35, 0.00291789/step Wall: 1749.35, 0.00291789/step, 3.56226 hours remaining, 205.105469 MB of memory in use. ENERGY: 605000 732.7256 2113.5793 1938.9286 125.1407 -206142.5201 17639.8669 0.0000 0.0000 34157.4810 -149434.7980 298.3058 -183592.2790 -149329.2673 298.4236 -68.9453 -35.1573 557780.7698 1.5488 1.7066 PRESSURE: 605200 -34.4034 -13.8207 -86.2584 -13.8207 102.222 -0.661904 -86.2586 -0.66213 -10.8809 GPRESSURE: 605200 -21.7458 17.5143 -55.0385 -42.3344 110.616 -53.2092 -43.9117 -44.6051 56.9217 PRESSAVG: 605200 18.2512 17.2031 0.0720147 17.203 23.0217 3.78918 0.0720392 3.78912 -70.7314 GPRESSAVG: 605200 17.413 14.8519 -1.89707 17.1086 22.8072 5.31354 0.817242 3.12387 -70.0872 TIMING: 605200 CPU: 1749.93, 0.00291598/step Wall: 1749.93, 0.00291598/step, 3.55976 hours remaining, 205.105469 MB of memory in use. ENERGY: 605200 723.3933 2073.0960 1947.3573 116.7896 -206514.9620 17797.9374 0.0000 0.0000 34273.4720 -149582.9164 299.3188 -183856.3884 -149490.7503 298.3407 18.9793 48.5974 556508.7970 -9.8195 -9.9556 PRESSURE: 605400 126.347 -27.1026 76.6463 -27.1041 -109.171 -177.004 76.6471 -177.004 -73.3547 GPRESSURE: 605400 167.374 -108.56 101.219 -40.76 -67.7552 -180.168 41.3832 -176.563 -63.8138 PRESSAVG: 605400 4.43384 -31.5642 21.1976 -31.5643 22.7787 -51.8127 21.1976 -51.8126 -15.0374 GPRESSAVG: 605400 5.65516 -30.0114 21.8354 -31.2714 21.5649 -49.4968 22.3307 -51.0567 -14.7574 TIMING: 605400 CPU: 1750.52, 0.0029199/step Wall: 1750.52, 0.0029199/step, 3.56439 hours remaining, 205.105469 MB of memory in use. ENERGY: 605400 766.4968 2060.7046 1960.7121 121.7459 -206406.2737 17916.3488 0.0000 0.0000 34050.7874 -149529.4780 297.3740 -183580.2655 -149430.8275 298.0966 -18.7263 11.9350 556987.1386 4.0584 4.1542 PRESSURE: 605600 126.953 -22.1011 143.353 -22.1015 49.9458 -56.3959 143.353 -56.3961 -45.8188 GPRESSURE: 605600 100.426 54.7366 146.483 -9.02645 110.953 -44.2393 72.2324 -118.736 11.3221 PRESSAVG: 605600 21.5387 -6.98173 -60.6125 -6.98175 -24.442 1.15333 -60.6126 1.15329 -23.3322 GPRESSAVG: 605600 21.4625 -7.82601 -60.7678 -6.73253 -24.0375 -0.697908 -59.3282 1.30822 -24.3941 TIMING: 605600 CPU: 1751.11, 0.00295798/step Wall: 1751.11, 0.00295798/step, 3.61071 hours remaining, 205.105469 MB of memory in use. ENERGY: 605600 726.8163 2099.7873 1968.4056 108.5079 -206286.9512 17757.4498 0.0000 0.0000 34027.8008 -149598.1836 297.1732 -183625.9843 -149498.0661 298.0593 43.6934 74.2338 556129.1702 -8.7452 -8.9897 PRESSURE: 605800 16.1701 80.1233 -16.9871 80.1226 130.705 89.6383 -16.9872 89.6391 16.8341 GPRESSURE: 605800 -10.3624 94.1711 -11.0879 50.3426 188.032 9.15798 21.9314 29.1478 85.5017 PRESSAVG: 605800 47.7149 38.9146 4.84334 38.9145 -1.57553 63.5371 4.84336 63.537 -48.5244 GPRESSAVG: 605800 46.7021 40.2729 4.00686 39.2455 -1.29283 64.4892 3.10243 61.2407 -47.73 TIMING: 605800 CPU: 1751.69, 0.00292366/step Wall: 1751.69, 0.00292366/step, 3.56865 hours remaining, 205.105469 MB of memory in use. ENERGY: 605800 716.7905 2132.5501 1978.7659 120.1015 -206430.8483 17925.5540 0.0000 0.0000 34019.7996 -149537.2868 297.1034 -183557.0864 -149439.1954 298.2934 54.5697 87.7236 557266.0074 -0.7950 -0.7736 PRESSURE: 606000 64.7885 32.4967 107.043 32.496 -88.2569 154.161 107.042 154.16 58.9744 GPRESSURE: 606000 52.275 148.818 127.97 81.0418 -42.5206 88.9396 36.0755 161.169 121.484 PRESSAVG: 606000 -27.3286 -23.8252 2.92147 -23.8252 -20.0608 45.996 2.92153 45.9961 60.412 GPRESSAVG: 606000 -27.7072 -26.0968 2.61901 -24.1612 -20.6585 46.3043 5.17296 48.342 61.2846 TIMING: 606000 CPU: 1752.28, 0.00292479/step Wall: 1752.28, 0.00292479/step, 3.56987 hours remaining, 205.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 606000 733.0290 2064.6383 1965.6266 107.9314 -206171.4580 17702.1011 0.0000 0.0000 34238.1086 -149360.0230 299.0099 -183598.1315 -149263.3208 298.7866 11.8353 43.7461 557612.3974 4.3408 4.3063 PRESSURE: 606200 -1.19016 -205.192 -66.6345 -205.193 83.4531 -58.5715 -66.6348 -58.5716 395.477 GPRESSURE: 606200 24.494 -185.028 -79.7907 -109.579 151.388 -85.8448 -9.37681 15.3266 395.988 PRESSAVG: 606200 20.3295 -20.1558 95.7286 -20.1557 -53.6981 1.93194 95.7286 1.9319 74.7112 GPRESSAVG: 606200 21.9952 -17.5793 97.2442 -20.3265 -52.8711 2.34172 93.8133 -0.811086 72.709 TIMING: 606200 CPU: 1752.87, 0.00293951/step Wall: 1752.87, 0.00293951/step, 3.58768 hours remaining, 205.105469 MB of memory in use. ENERGY: 606200 760.3104 2063.9260 1953.3996 102.0748 -206610.2995 18126.6982 0.0000 0.0000 34258.0796 -149345.8108 299.1843 -183603.8904 -149245.3252 298.9831 159.2468 190.6233 557909.8617 13.7809 13.9444 PRESSURE: 606400 40.989 -85.1612 59.7788 -85.1612 -133.072 -14.4027 59.7786 -14.4027 77.1131 GPRESSURE: 606400 74.2965 -16.9449 127.481 -124.124 -119.986 -47.6496 57.5319 11.9868 120.267 PRESSAVG: 606400 15.5681 -35.175 25.3706 -35.1751 -57.9081 6.8503 25.3707 6.85042 -17.8135 GPRESSAVG: 606400 14.882 -36.2145 27.4483 -33.8847 -57.6367 6.00655 23.214 8.48967 -17.7617 TIMING: 606400 CPU: 1753.45, 0.00292929/step Wall: 1753.45, 0.00292929/step, 3.57503 hours remaining, 205.105469 MB of memory in use. ENERGY: 606400 742.8279 2089.0416 1963.1666 125.0799 -206676.7356 17961.9506 0.0000 0.0000 34312.0070 -149482.6619 299.6553 -183794.6689 -149389.0961 298.6967 -4.9899 24.8591 556525.0210 -20.0512 -20.1721 PRESSURE: 606600 -26.8513 -122.707 -74.8727 -122.707 199.378 -89.3871 -74.8724 -89.387 158.786 GPRESSURE: 606600 11.5904 -89.8248 -182.997 -109.394 157.788 -132.75 -59.4817 -18.8317 264.485 PRESSAVG: 606600 -21.4884 -18.5478 0.569001 -18.5478 -42.2722 -25.8829 0.569094 -25.8829 70.1995 GPRESSAVG: 606600 -21.3087 -17.5773 -2.92008 -22.3877 -43.3059 -25.4415 3.02176 -25.9173 71.0877 TIMING: 606600 CPU: 1754.04, 0.002933/step Wall: 1754.04, 0.002933/step, 3.5794 hours remaining, 205.105469 MB of memory in use. ENERGY: 606600 737.5343 2029.1541 1927.6016 115.1095 -206271.7919 17914.4785 0.0000 0.0000 34110.4851 -149437.4288 297.8954 -183547.9139 -149335.7759 299.1879 110.4376 144.6211 556948.2639 2.1463 2.1577 PRESSURE: 606800 158.195 -44.4056 47.3763 -44.4049 -58.7581 47.4071 47.3773 47.4064 -255.815 GPRESSURE: 606800 157.3 -39.1169 -29.2243 -89.5301 -31.0036 4.77655 144.124 108.196 -184.624 PRESSAVG: 606800 10.0664 -24.7629 -43.1526 -24.7628 -31.1181 -7.28043 -43.1526 -7.28046 72.1193 GPRESSAVG: 606800 8.42874 -27.4134 -41.3164 -20.7823 -30.4919 -7.65666 -42.813 -6.66684 72.8308 TIMING: 606800 CPU: 1754.62, 0.00290783/step Wall: 1754.62, 0.00290783/step, 3.54853 hours remaining, 205.242188 MB of memory in use. ENERGY: 606800 778.8749 2113.2893 1935.8703 122.3665 -206475.4980 17807.8465 0.0000 0.0000 34303.6749 -149413.5756 299.5825 -183717.2505 -149316.6607 299.0262 -52.1261 -19.4427 557929.2741 17.0225 16.9226 PRESSURE: 607000 121.5 26.5627 30.5981 26.5625 -441.443 28.657 30.5987 28.6581 -39.0978 GPRESSURE: 607000 165.755 14.2294 -21.7871 -6.27752 -378.313 54.2569 -28.5435 89.6729 -61.0496 PRESSAVG: 607000 26.9914 43.1062 19.2008 43.1062 -25.146 -2.84963 19.2008 -2.84961 1.953 GPRESSAVG: 607000 27.9211 42.6579 16.8066 43.3232 -24.362 -2.24686 18.7893 -4.1461 0.490595 TIMING: 607000 CPU: 1755.2, 0.00291151/step Wall: 1755.2, 0.00291151/step, 3.55285 hours remaining, 205.242188 MB of memory in use. ENERGY: 607000 720.3029 2103.9799 1942.1602 107.9304 -205713.2948 17389.7789 0.0000 0.0000 34054.5581 -149394.5844 297.4069 -183449.1425 -149299.5477 299.0120 -119.6801 -91.2024 557164.7087 1.2661 1.3499 PRESSURE: 607200 173.185 151.403 -89.2835 151.404 176.703 46.8675 -89.2836 46.8689 66.6344 GPRESSURE: 607200 200.463 131.381 -126.892 175.688 158.02 157.272 -62.5919 -59.5857 146.284 PRESSAVG: 607200 32.5227 -41.9142 -4.09745 -41.9142 -0.25064 3.69614 -4.09751 3.69619 0.863838 GPRESSAVG: 607200 30.7298 -39.0871 -2.36752 -45.654 -1.25014 2.35315 -5.9258 4.86973 3.06815 TIMING: 607200 CPU: 1755.79, 0.00290964/step Wall: 1755.79, 0.00290964/step, 3.55041 hours remaining, 205.242188 MB of memory in use. ENERGY: 607200 733.3218 2132.9705 1906.8860 108.8282 -206603.7734 18017.2403 0.0000 0.0000 34282.0363 -149422.4902 299.3935 -183704.5265 -149330.1593 298.8163 138.8408 168.2558 557006.5407 11.0453 10.8493 PRESSURE: 607400 285.299 105.017 -42.8331 105.017 141.894 79.6915 -42.8344 79.6897 15.364 GPRESSURE: 607400 373.88 65.7002 -67.4304 127.909 180.272 66.1583 -49.1669 108.89 -6.17896 PRESSAVG: 607400 80.7422 42.0317 6.81438 42.0317 -23.8383 -2.78239 6.81447 -2.78248 -21.2398 GPRESSAVG: 607400 82.0876 42.0047 5.71237 42.2106 -23.8484 -4.35274 7.44979 -3.36343 -21.6213 TIMING: 607400 CPU: 1756.37, 0.00291636/step Wall: 1756.37, 0.00291636/step, 3.55845 hours remaining, 205.242188 MB of memory in use. ENERGY: 607400 745.3001 2056.4628 1927.0255 110.8440 -206621.9848 18144.6828 0.0000 0.0000 34190.6829 -149446.9866 298.5957 -183637.6696 -149350.1584 298.8419 147.5188 182.6575 556708.2108 11.8880 12.2060 PRESSURE: 607600 -175.384 -19.1325 74.1221 -19.1327 -73.7203 70.6645 74.1216 70.6663 -129.003 GPRESSURE: 607600 -167.952 -22.2978 -42.0416 23.9129 29.5131 69.8349 94.0685 33.531 -138.619 PRESSAVG: 607600 55.3778 7.7865 -8.81053 7.78655 -70.4332 21.6958 -8.81057 21.6958 3.89929 GPRESSAVG: 607600 55.57 7.30242 -7.99705 9.51941 -69.7535 24.9814 -8.11829 20.2614 2.68742 TIMING: 607600 CPU: 1756.95, 0.00292187/step Wall: 1756.95, 0.00292187/step, 3.565 hours remaining, 205.242188 MB of memory in use. ENERGY: 607600 748.7170 2096.7066 1942.7747 108.7942 -206339.1910 17462.7482 0.0000 0.0000 34293.1635 -149686.2868 299.4907 -183979.4503 -149588.5882 299.1335 -126.0358 -92.3525 554624.8542 -3.7187 -3.8320 PRESSURE: 607800 68.8445 -129.494 144.082 -129.494 17.9942 53.283 144.081 53.2831 -111.626 GPRESSURE: 607800 92.1402 -159.677 184.687 -141.818 52.9145 9.59222 102.024 147.963 -75.9739 PRESSAVG: 607800 63.221 -8.62256 -1.21333 -8.62251 -33.0026 53.2782 -1.21337 53.2783 25.1804 GPRESSAVG: 607800 63.2162 -7.91227 -1.15574 -8.83945 -34.4454 51.3802 -2.17337 53.7909 26.3529 TIMING: 607800 CPU: 1757.54, 0.00292868/step Wall: 1757.54, 0.00292868/step, 3.57316 hours remaining, 205.242188 MB of memory in use. ENERGY: 607800 751.9637 2119.2626 1933.6936 125.7913 -206144.3132 17643.3880 0.0000 0.0000 34054.5074 -149515.7067 297.4065 -183570.2141 -149424.1009 298.7372 -8.2624 23.0269 556419.0112 18.4663 18.3746 PRESSURE: 608000 121.726 -73.7186 28.663 -73.7181 129.385 -37.0034 28.6637 -37.0029 367.574 GPRESSURE: 608000 216.627 -36.5951 64.4136 -96.035 102.827 -36.429 14.8577 -11.1984 386.462 PRESSAVG: 608000 47.484 -39.7193 29.6579 -39.7193 -32.9855 36.644 29.6579 36.644 10.8982 GPRESSAVG: 608000 48.8138 -40.7102 29.4605 -39.7547 -33.1473 36.9822 29.689 35.3178 9.94141 TIMING: 608000 CPU: 1758.12, 0.00292037/step Wall: 1758.12, 0.00292037/step, 3.56286 hours remaining, 205.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 608000 714.6321 2079.4030 1952.9427 104.4679 -206598.0647 18064.8724 0.0000 0.0000 34280.4197 -149401.3269 299.3794 -183681.7466 -149308.3677 298.2871 206.2284 235.3055 555552.7142 8.4656 8.5360 PRESSURE: 608200 -129.943 178.884 18.802 178.884 -155.903 -126.227 18.8002 -126.226 -55.1089 GPRESSURE: 608200 -116.988 101.301 -44.1895 191.463 -115.694 -95.8857 37.088 -89.5229 -22.2972 PRESSAVG: 608200 35.9326 -36.3756 3.75853 -36.3756 -10.8944 9.38721 3.75841 9.38717 -4.84471 GPRESSAVG: 608200 35.0727 -37.3469 4.30311 -36.6241 -10.5759 10.9159 4.02446 11.582 -4.45667 TIMING: 608200 CPU: 1758.71, 0.00294261/step Wall: 1758.71, 0.00294261/step, 3.58982 hours remaining, 205.242188 MB of memory in use. ENERGY: 608200 759.5443 2107.9781 1932.8435 105.0232 -206230.3758 17812.8099 0.0000 0.0000 34153.9996 -149358.1772 298.2754 -183512.1768 -149258.1868 299.0374 -113.6517 -84.9929 557807.7365 6.7311 6.6800 LDB: ============= START OF LOAD BALANCING ============== 1762.1 LDB: ============== END OF LOAD BALANCING =============== 1762.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1762.11 LDB: ============= START OF LOAD BALANCING ============== 1762.4 LDB: Largest compute 4822 load 0.029771 is 25.3% of average load 0.117760 LDB: Average compute 0.001735 is 1.5% of average load 0.117760 LDB: TIME 1762.41 LOAD: AVG 0.11776 MAX 0.180314 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 1762.41 LOAD: AVG 0.11776 MAX 0.180314 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: TIME 1762.41 LOAD: AVG 0.11776 MAX 0.180314 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: ============== END OF LOAD BALANCING =============== 1762.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1762.41 PRESSURE: 608400 149.878 -60.3476 -135.629 -60.3484 46.0707 69.2602 -135.629 69.26 111.128 GPRESSURE: 608400 202.845 -70.6733 -71.8914 -97.2202 83.4982 -10.9146 -87.693 125.169 122.768 PRESSAVG: 608400 49.7976 -2.58473 -7.25206 -2.5847 -29.7177 22.285 -7.25201 22.2849 0.304844 GPRESSAVG: 608400 50.253 -2.8395 -6.23293 -1.46537 -30.1964 21.5058 -8.95617 22.8597 0.462128 TIMING: 608400 CPU: 1759.32, 0.0030258/step Wall: 1759.32, 0.0030258/step, 3.69114 hours remaining, 206.898438 MB of memory in use. ENERGY: 608400 746.9280 2055.1976 1923.1968 122.5354 -206507.3773 18000.2655 0.0000 0.0000 34343.6179 -149315.6361 299.9314 -183659.2540 -149209.8446 298.2614 102.3591 136.3706 557531.1764 6.7949 6.8396 PRESSURE: 608600 -34.6991 -0.826254 33.0262 -0.82576 -225.69 -68.0225 33.0269 -68.022 203.18 GPRESSURE: 608600 -12.6329 15.3924 -73.4654 44.9038 -156.319 -63.2829 113.678 -58.7293 204.595 PRESSAVG: 608600 0.976552 22.3385 47.9721 22.3385 -34.1014 -32.122 47.9722 -32.122 53.9079 GPRESSAVG: 608600 -0.636132 24.6318 46.9986 21.0507 -33.4145 -31.9342 50.1024 -33.1748 54.5697 TIMING: 608600 CPU: 1759.91, 0.00296823/step Wall: 1759.91, 0.00296823/step, 3.62075 hours remaining, 207.101562 MB of memory in use. ENERGY: 608600 724.0255 2182.0714 1938.2083 117.5506 -206571.8341 18062.0361 0.0000 0.0000 34309.7446 -149238.1976 299.6355 -183547.9422 -149135.6587 299.2344 -19.0696 11.8811 558032.2434 6.9277 6.8397 PRESSURE: 608800 -51.6781 13.8217 -103.799 13.82 52.66 -24.1501 -103.8 -24.1506 -64.6304 GPRESSURE: 608800 -84.9939 8.57961 -138 -46.8592 101.131 -86.7221 -45.0924 32.6302 23.4407 PRESSAVG: 608800 34.0008 39.1726 66.5706 39.1726 8.85174 1.17332 66.5705 1.17334 -66.2987 GPRESSAVG: 608800 34.6247 37.2582 65.6817 41.2413 8.31255 -0.574316 65.9555 1.85218 -66.5444 TIMING: 608800 CPU: 1760.5, 0.00294228/step Wall: 1760.5, 0.00294228/step, 3.58892 hours remaining, 207.101562 MB of memory in use. ENERGY: 608800 773.4991 2079.7362 1933.3673 110.3118 -206598.2707 18041.1347 0.0000 0.0000 34373.9497 -149286.2719 300.1963 -183660.2216 -149187.1539 299.9146 -21.2162 13.1927 558946.6152 -7.8154 -7.8691 PRESSURE: 609000 253.469 -260.581 -112.3 -260.584 -162.011 -10.4905 -112.299 -10.4924 27.9011 GPRESSURE: 609000 285.491 -269.809 -194.564 -200.157 -82.1649 45.7444 -87.3201 -65.7249 28.9111 PRESSAVG: 609000 40.9981 48.4135 5.05067 48.4135 -56.1021 -37.1178 5.05053 -37.1178 20.2518 GPRESSAVG: 609000 41.6863 49.2042 3.7774 47.1595 -56.0808 -35.9231 5.22137 -38.4256 19.4888 TIMING: 609000 CPU: 1761.08, 0.00292793/step Wall: 1761.08, 0.00292793/step, 3.57126 hours remaining, 207.101562 MB of memory in use. ENERGY: 609000 732.8739 2086.5630 1925.6175 111.9350 -206451.1323 18033.2939 0.0000 0.0000 34369.4509 -149191.3981 300.1570 -183560.8489 -149089.8433 299.5340 39.7861 77.4124 558906.5200 1.7159 1.6981 PRESSURE: 609200 -152.087 -0.395334 1.39597 -0.394865 -195.101 -181.756 1.39557 -181.756 -412.066 GPRESSURE: 609200 -87.8547 -65.5834 -47.7237 49.8468 -169.197 -200.4 27.6606 -173.475 -401.902 PRESSAVG: 609200 84.0084 -14.4502 23.4215 -14.4502 -45.8509 -13.6708 23.4216 -13.6709 -51.7161 GPRESSAVG: 609200 84.2866 -12.7895 25.9345 -15.5504 -45.9043 -13.4226 23.2653 -13.3171 -51.3964 TIMING: 609200 CPU: 1761.67, 0.00291264/step Wall: 1761.67, 0.00291264/step, 3.55246 hours remaining, 207.101562 MB of memory in use. ENERGY: 609200 781.9939 2063.7808 1927.5274 111.9196 -205860.6737 17544.8533 0.0000 0.0000 34088.7392 -149341.8596 297.7054 -183430.5988 -149249.1895 298.4095 -253.0846 -219.6513 559120.0958 -4.5195 -4.3380 PRESSURE: 609400 -253.971 -59.796 43.4286 -59.7958 46.0148 -64.5337 43.4284 -64.5352 -31.1321 GPRESSURE: 609400 -273.495 -48.2713 126.142 -103.365 139.915 37.6191 0.392134 -82.1579 -4.47911 PRESSAVG: 609400 33.1966 24.0369 8.39859 24.037 27.9662 -20.329 8.39859 -20.329 -50.3912 GPRESSAVG: 609400 31.846 22.619 8.00485 24.4678 28.8864 -22.4042 9.77775 -20.0546 -50.0203 TIMING: 609400 CPU: 1762.25, 0.00291762/step Wall: 1762.25, 0.00291762/step, 3.55836 hours remaining, 207.101562 MB of memory in use. ENERGY: 609400 714.4933 2108.1024 1964.1869 112.2473 -205847.0922 17601.9981 0.0000 0.0000 34007.7013 -149338.3628 296.9977 -183346.0641 -149236.5034 298.3170 -79.6961 -46.0199 559650.5859 3.5905 3.5707 PRESSURE: 609600 -105.885 20.6503 -100.297 20.6498 19.3087 -23.5127 -100.297 -23.511 -229.484 GPRESSURE: 609600 -81.3199 15.5229 -208.308 36.4128 85.8308 8.28249 -125.464 58.5486 -223.019 PRESSAVG: 609600 0.687271 -18.2876 50.1025 -18.2876 -15.4697 5.83758 50.1024 5.83761 20.5473 GPRESSAVG: 609600 1.50027 -19.4942 48.7973 -18.3014 -15.4187 6.18864 49.5703 7.08045 19.5064 TIMING: 609600 CPU: 1762.83, 0.00292138/step Wall: 1762.83, 0.00292138/step, 3.56279 hours remaining, 207.101562 MB of memory in use. ENERGY: 609600 742.6259 2134.1349 1907.4082 105.4140 -206286.3482 17792.4850 0.0000 0.0000 34098.4431 -149505.8371 297.7902 -183604.2801 -149413.6857 297.6853 -105.3537 -72.8361 558940.6480 1.9216 1.8627 PRESSURE: 609800 -230.362 150.539 3.80112 150.54 -249.201 -14.8014 3.80193 -14.7998 -288.934 GPRESSURE: 609800 -182.632 154.581 -1.16444 78.4238 -208.006 139.438 29.5825 -50.0683 -283.121 PRESSAVG: 609800 18.8543 11.3246 40.9775 11.3246 32.7677 -9.99537 40.9775 -9.99542 -49.3575 GPRESSAVG: 609800 19.0963 12.3669 41.9893 12.3774 32.3166 -8.32473 41.326 -12.8261 -49.095 TIMING: 609800 CPU: 1763.41, 0.00288788/step Wall: 1763.41, 0.00288788/step, 3.52177 hours remaining, 207.101562 MB of memory in use. ENERGY: 609800 792.8622 2085.6099 1949.4822 104.7347 -206004.3712 17461.6657 0.0000 0.0000 34200.5090 -149409.5075 298.6816 -183610.0165 -149310.8850 298.3216 -256.1659 -224.5865 557884.4356 0.7549 0.7726 PRESSURE: 610000 -140.165 -40.6794 133.652 -40.6801 -492.373 34.1744 133.654 34.1749 -285.888 GPRESSURE: 610000 -116.112 5.23587 73.0551 -48.8076 -461.274 42.8758 134.426 -31.6486 -242.308 PRESSAVG: 610000 12.8925 48.3345 17.4131 48.3343 -6.86231 35.3366 17.4131 35.3364 -22.383 GPRESSAVG: 610000 13.7078 47.5566 17.828 48.7436 -7.95145 34.0071 17.2956 36.8718 -21.9253 TIMING: 610000 CPU: 1763.99, 0.00290964/step Wall: 1763.99, 0.00290964/step, 3.54814 hours remaining, 207.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 610000 727.2441 2072.1757 1937.0820 104.8537 -205689.5477 17472.0725 0.0000 0.0000 34111.7435 -149264.3762 297.9063 -183376.1197 -149168.5437 298.7378 -306.1420 -273.2313 558678.1684 -5.4509 -5.3897 PRESSURE: 610200 -122.741 -17.0685 -28.0165 -17.0681 -111.177 -2.76827 -28.0159 -2.76853 -294.319 GPRESSURE: 610200 -103.39 16.4455 -11.8121 -102.146 -63.484 -59.6907 12.0877 -51.3197 -288.086 PRESSAVG: 610200 33.2258 -16.2882 35.8663 -16.2883 -21.5412 9.2055 35.8665 9.20553 -30.2239 GPRESSAVG: 610200 32.0799 -15.0416 36.6041 -18.6385 -20.8835 10.4842 35.9074 8.84615 -29.6348 TIMING: 610200 CPU: 1764.58, 0.00293493/step Wall: 1764.58, 0.00293493/step, 3.57882 hours remaining, 207.101562 MB of memory in use. ENERGY: 610200 764.2742 2008.6363 1935.9058 123.4451 -205605.7905 17409.0986 0.0000 0.0000 34289.9445 -149074.4859 299.4626 -183364.4305 -148974.9004 299.6772 -176.0794 -151.6533 559443.3084 -6.1798 -6.1462 PRESSURE: 610400 45.3013 -96.8836 118.404 -96.8829 155.428 115.942 118.404 115.941 -132.244 GPRESSURE: 610400 109.481 -150.627 134.917 -39.2083 155.394 59.6623 52.1669 87.6946 -101.399 PRESSAVG: 610400 -13.6755 20.3463 -90.2046 20.3464 45.426 -41.4386 -90.2045 -41.4386 -44.0589 GPRESSAVG: 610400 -12.9664 20.5509 -91.245 21.0231 45.0381 -42.0652 -90.5827 -41.8609 -44.9831 TIMING: 610400 CPU: 1765.17, 0.00293007/step Wall: 1765.17, 0.00293007/step, 3.57273 hours remaining, 207.101562 MB of memory in use. ENERGY: 610400 736.2578 2094.9366 1930.1413 126.6076 -206069.5759 17741.5557 0.0000 0.0000 34215.7709 -149224.3061 298.8148 -183440.0769 -149124.6254 299.2588 22.8285 54.4918 558503.9939 -4.1028 -4.3038 PRESSURE: 610600 11.2839 114.784 181.386 114.783 117.759 241.534 181.386 241.532 -115.703 GPRESSURE: 610600 66.9584 173.437 200.426 70.2898 126.526 306.63 81.4842 209.003 -87.5202 PRESSAVG: 610600 -18.0647 31.5991 66.6581 31.5991 41.4155 30.1078 66.6581 30.1078 -23.7088 GPRESSAVG: 610600 -17.5263 31.3822 66.4015 31.1482 41.5005 28.2378 65.8975 30.4872 -24.3155 TIMING: 610600 CPU: 1765.76, 0.00294839/step Wall: 1765.76, 0.00294839/step, 3.5949 hours remaining, 207.101562 MB of memory in use. ENERGY: 610600 736.4024 2051.9873 1927.9424 112.2574 -206133.0947 17810.0409 0.0000 0.0000 34354.4313 -149140.0330 300.0258 -183494.4643 -149044.9423 299.3817 4.4468 35.3214 556468.6791 -0.1193 -0.1138 PRESSURE: 610800 -298.48 92.1676 110.004 92.1669 -26.4966 -75.3125 110.003 -75.3129 19.7791 GPRESSURE: 610800 -275.863 99.7675 127.092 -18.7111 31.9109 26.5364 108.812 -12.2616 33.9581 PRESSAVG: 610800 59.01 23.3072 56.6777 23.3072 -4.439 32.7041 56.6778 32.7042 -38.1123 GPRESSAVG: 610800 57.6683 24.2516 57.4337 25.0263 -3.62054 33.5422 56.7515 33.4745 -37.4788 TIMING: 610800 CPU: 1766.34, 0.00292761/step Wall: 1766.34, 0.00292761/step, 3.56941 hours remaining, 207.101562 MB of memory in use. ENERGY: 610800 739.1455 2050.5324 1970.0320 90.5924 -205810.0938 17550.8311 0.0000 0.0000 34265.0413 -149143.9193 299.2451 -183408.9605 -149041.2372 299.7643 -101.7324 -69.9982 558129.3225 5.4862 5.5230 PRESSURE: 611000 -99.0905 52.0607 133.939 52.0602 96.5606 183.99 133.94 183.989 -273.138 GPRESSURE: 611000 -44.5044 61.9869 44.4454 -3.99915 110.224 247.917 167.789 203.992 -233.196 PRESSAVG: 611000 11.7051 -24.459 12.0665 -24.4589 -10.8944 4.81414 12.0665 4.81408 -39.9876 GPRESSAVG: 611000 12.2691 -25.2846 12.7209 -25.783 -11.3951 5.06954 11.4001 4.85884 -40.1665 TIMING: 611000 CPU: 1766.92, 0.00291049/step Wall: 1766.92, 0.00291049/step, 3.54837 hours remaining, 207.101562 MB of memory in use. ENERGY: 611000 723.3726 2105.4792 1917.7388 103.2983 -206013.1050 17684.1595 0.0000 0.0000 34150.6231 -149328.4335 298.2459 -183479.0566 -149228.7147 299.1548 -91.8892 -55.8254 557737.6415 -13.0590 -13.0975 PRESSURE: 611200 152.889 30.7349 -93.2642 30.7336 57.8414 61.5051 -93.2656 61.5052 24.6885 GPRESSURE: 611200 176.345 -1.96664 -85.0926 2.92688 155.13 76.8896 -29.7052 122.159 -2.87091 PRESSAVG: 611200 -0.408017 -15.9452 22.3736 -15.9451 60.0386 6.57679 22.3736 6.57678 -24.4563 GPRESSAVG: 611200 -1.11577 -15.7486 22.1364 -16.0593 60.5787 6.77419 21.7356 6.66249 -24.5708 TIMING: 611200 CPU: 1767.51, 0.00291385/step Wall: 1767.51, 0.00291385/step, 3.55231 hours remaining, 207.101562 MB of memory in use. ENERGY: 611200 717.4444 2070.8542 1924.2585 108.5353 -206306.2976 17828.1899 0.0000 0.0000 34363.5335 -149293.4817 300.1053 -183657.0152 -149197.7662 299.2915 78.4730 109.5347 555785.3670 11.7248 11.6307 PRESSURE: 611400 -303.341 -9.83975 -91.8221 -9.83983 -67.6936 -79.7564 -91.8225 -79.7568 -126.534 GPRESSURE: 611400 -245.848 -26.0655 -90.7547 59.685 -40.5993 -134.974 -128.028 -77.9883 -99.7325 PRESSAVG: 611400 -98.2852 -69.7948 5.18857 -69.7948 17.1101 0.229369 5.18864 0.22928 20.0924 GPRESSAVG: 611400 -96.8562 -70.9816 4.7266 -68.1555 15.5171 -0.830897 7.18433 -0.0330157 19.7009 TIMING: 611400 CPU: 1768.09, 0.0029374/step Wall: 1768.09, 0.0029374/step, 3.58085 hours remaining, 207.101562 MB of memory in use. ENERGY: 611400 762.8919 2033.3055 1927.6804 122.6782 -205809.3119 17557.6149 0.0000 0.0000 34136.2230 -149268.9180 298.1201 -183405.1410 -149172.5189 299.3156 -165.8562 -128.7265 557536.2205 -20.3609 -20.5461 PRESSURE: 611600 185.649 -35.382 66.1316 -35.3823 62.2276 30.7368 66.1303 30.7364 64.2985 GPRESSURE: 611600 225.329 44.4898 109.925 -91.0528 74.6917 46.7907 54.8998 102.163 102.493 PRESSAVG: 611600 -22.8951 53.5358 46.8185 53.5357 -26.7088 -14.6963 46.8184 -14.6964 83.5986 GPRESSAVG: 611600 -24.1222 55.1557 47.2157 50.4024 -26.2066 -14.5378 46.6512 -14.9034 84.6129 TIMING: 611600 CPU: 1768.68, 0.0029151/step Wall: 1768.68, 0.0029151/step, 3.5535 hours remaining, 207.101562 MB of memory in use. ENERGY: 611600 751.0930 2090.3952 1927.7992 118.7853 -206225.6456 17908.9042 0.0000 0.0000 34294.1399 -149134.5288 299.4993 -183428.6687 -149035.4614 299.8441 104.0583 134.1713 556504.4488 11.3316 11.4280 PRESSURE: 611800 111.173 104.024 -17.9456 104.023 -257.749 38.7016 -17.9449 38.7032 -151.418 GPRESSURE: 611800 179.277 115.276 -20.9049 50.8376 -284.346 31.495 -1.57147 1.85373 -95.2106 PRESSAVG: 611800 122.109 -5.34972 56.7975 -5.34964 -59.9227 18.8356 56.7975 18.8357 -59.7983 GPRESSAVG: 611800 121.494 -6.92899 55.7357 -3.82471 -59.5629 20.3667 56.7483 17.8674 -59.0657 TIMING: 611800 CPU: 1769.26, 0.00290961/step Wall: 1769.26, 0.00290961/step, 3.54665 hours remaining, 207.101562 MB of memory in use. ENERGY: 611800 727.9451 2071.5384 1937.7589 117.5947 -206011.9733 17714.7658 0.0000 0.0000 34308.7274 -149133.6430 299.6266 -183442.3704 -149032.4280 299.8145 -99.3313 -66.7598 556835.0766 0.7959 0.9552 PRESSURE: 612000 -173.564 -61.5378 100.22 -61.5381 -68.4483 63.0953 100.219 63.0956 -77.1823 GPRESSURE: 612000 -122.644 -21.7175 59.9245 -97.4284 -102.167 43.7201 123.12 95.1392 7.89903 PRESSAVG: 612000 120.914 28.4944 19.5948 28.4944 -80.631 -20.265 19.5948 -20.265 -11.4279 GPRESSAVG: 612000 121.809 26.8801 20.4918 29.6465 -80.5391 -21.2515 20.2782 -18.8783 -12.0891 TIMING: 612000 CPU: 1769.85, 0.00293503/step Wall: 1769.85, 0.00293503/step, 3.57748 hours remaining, 207.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 612000 777.1551 2118.2112 1925.5764 116.0104 -205967.2224 17672.1473 0.0000 0.0000 34242.4297 -149115.6923 299.0477 -183358.1219 -149023.6035 299.3275 -106.3981 -72.3039 558286.1809 9.6185 9.7270 PRESSURE: 612200 -127.103 71.2964 99.2948 71.2969 -328.154 -26.0507 99.2946 -26.05 -106.077 GPRESSURE: 612200 -85.163 175.867 80.8117 20.1087 -252.411 13.4432 122.057 -57.6592 -120.936 PRESSAVG: 612200 62.6281 -11.4802 -37.0764 -11.4801 -92.8133 -8.70279 -37.0764 -8.70297 47.5637 GPRESSAVG: 612200 61.3203 -10.4503 -36.9897 -9.79432 -91.9171 -9.35145 -37.8303 -10.0768 48.2112 TIMING: 612200 CPU: 1770.43, 0.0029036/step Wall: 1770.43, 0.0029036/step, 3.53901 hours remaining, 207.101562 MB of memory in use. ENERGY: 612200 738.3238 2035.0583 1952.1236 107.0967 -205765.8166 17722.0817 0.0000 0.0000 34122.3565 -149088.7758 297.9990 -183211.1324 -148999.0380 299.7132 -187.1113 -152.8367 560917.9847 5.7928 5.8714 LDB: ============= START OF LOAD BALANCING ============== 1773.82 LDB: ============== END OF LOAD BALANCING =============== 1773.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1773.82 LDB: ============= START OF LOAD BALANCING ============== 1774.11 LDB: Largest compute 4820 load 0.030654 is 26.0% of average load 0.117849 LDB: Average compute 0.001730 is 1.5% of average load 0.117849 LDB: TIME 1774.11 LOAD: AVG 0.117849 MAX 0.182706 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1774.11 LOAD: AVG 0.117849 MAX 0.182706 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: TIME 1774.11 LOAD: AVG 0.117849 MAX 0.182706 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: ============== END OF LOAD BALANCING =============== 1774.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1774.12 PRESSURE: 612400 462.065 109.169 68.8189 109.169 1.52132 208.751 68.8187 208.752 30.3135 GPRESSURE: 612400 507.183 58.505 49.8935 91.5869 48.1425 267.271 -1.55203 217.094 19.9758 PRESSAVG: 612400 23.2477 19.5275 -18.3408 19.5275 -33.593 83.6418 -18.3409 83.6418 57.5479 GPRESSAVG: 612400 24.2162 19.8507 -16.3995 18.7311 -34.1857 84.0955 -19.2899 84.9629 56.4694 TIMING: 612400 CPU: 1771.02, 0.00298304/step Wall: 1771.02, 0.00298304/step, 3.63566 hours remaining, 207.539062 MB of memory in use. ENERGY: 612400 726.2974 2117.6834 1934.1376 100.8361 -206397.7409 18062.8650 0.0000 0.0000 34249.6962 -149206.2252 299.1111 -183455.9214 -149114.5167 300.0344 164.6333 191.7672 557892.2095 15.7342 15.4999 PRESSURE: 612600 -119.1 -2.08752 -119.159 -2.08736 -217.244 67.1394 -119.158 67.14 41.3978 GPRESSURE: 612600 -74.0461 -10.4 -146.738 -76.2984 -167.406 80.5786 -87.2244 -9.03017 38.2791 PRESSAVG: 612600 23.7771 -13.0919 -10.5435 -13.0918 -18.2145 30.6974 -10.5435 30.6973 23.8676 GPRESSAVG: 612600 23.8215 -13.3972 -10.6048 -13.9687 -18.8265 30.3961 -8.2152 30.5928 24.3493 TIMING: 612600 CPU: 1771.61, 0.00291852/step Wall: 1771.61, 0.00291852/step, 3.55686 hours remaining, 207.539062 MB of memory in use. ENERGY: 612600 783.7857 2098.4167 1957.4023 107.9867 -205979.8962 17610.8062 0.0000 0.0000 34317.7372 -149103.7616 299.7053 -183421.4988 -148999.4000 299.8450 -98.3153 -67.7244 557003.2034 9.8101 9.7814 PRESSURE: 612800 -160.709 -83.3185 124.58 -83.3186 105.419 -152.753 124.579 -152.754 83.5764 GPRESSURE: 612800 -145.714 -171.42 42.4866 -15.8868 164.545 -105.584 94.7011 -137.806 103.317 PRESSAVG: 612800 -21.2901 6.23764 -11.7053 6.23758 93.0738 -8.85794 -11.7054 -8.85798 -53.2208 GPRESSAVG: 612800 -21.9672 5.05174 -12.6477 7.43361 93.2897 -9.41456 -13.2525 -7.33044 -53.2101 TIMING: 612800 CPU: 1772.19, 0.00291596/step Wall: 1772.19, 0.00291596/step, 3.55358 hours remaining, 207.539062 MB of memory in use. ENERGY: 612800 762.7118 2127.2257 1934.8895 106.9982 -206140.3604 17689.9045 0.0000 0.0000 34313.5887 -149205.0420 299.6691 -183518.6307 -149114.1314 299.3431 9.4287 40.7159 557033.1991 6.1876 6.0375 PRESSURE: 613000 43.3755 21.9252 129.759 21.9245 -121.564 -44.8065 129.758 -44.8068 130.63 GPRESSURE: 613000 74.049 -70.7206 160.773 55.6297 -56.3123 -3.85685 110.623 -19.3328 141.509 PRESSAVG: 613000 -63.6412 20.9855 5.70428 20.9855 40.4368 -39.8605 5.70434 -39.8605 18.7874 GPRESSAVG: 613000 -62.757 21.0741 7.11006 21.5336 40.7078 -38.3699 5.45482 -41.7999 18.1229 TIMING: 613000 CPU: 1772.77, 0.00288761/step Wall: 1772.77, 0.00288761/step, 3.51888 hours remaining, 207.539062 MB of memory in use. ENERGY: 613000 752.6745 2065.5720 1935.5115 116.5337 -206142.3095 17792.1903 0.0000 0.0000 34240.3736 -149239.4539 299.0297 -183479.8275 -149149.2632 299.4716 17.4805 53.0820 556400.4701 -1.4723 -1.3088 PRESSURE: 613200 102.891 -0.0547578 64.6548 -0.0548314 74.5862 -33.1557 64.6564 -33.1545 -8.38073 GPRESSURE: 613200 147.171 22.5867 -8.29481 -51.5827 62.1016 -83.668 57.0825 -84.3483 60.3918 PRESSAVG: 613200 13.6802 -31.0002 2.82446 -31.0001 11.3407 -33.9342 2.8246 -33.9342 27.5196 GPRESSAVG: 613200 14.0864 -30.008 2.10375 -31.5052 10.3434 -34.8086 2.05114 -33.0772 28.3551 TIMING: 613200 CPU: 1773.35, 0.00289973/step Wall: 1773.35, 0.00289973/step, 3.53348 hours remaining, 207.539062 MB of memory in use. ENERGY: 613200 766.5069 2112.0954 1955.2611 116.5887 -206294.5405 17932.6138 0.0000 0.0000 34151.1052 -149260.3695 298.2501 -183411.4747 -149166.5636 299.9109 56.3655 89.8882 557684.3731 17.5135 17.5950 PRESSURE: 613400 39.3782 197.201 -157.951 197.201 -318.572 65.074 -157.952 65.0716 -322.222 GPRESSURE: 613400 42.595 158.786 -97.6905 248.194 -268.866 75.3916 -166.196 26.7938 -278.477 PRESSAVG: 613400 33.1348 85.0975 19.441 85.0976 19.5546 6.10783 19.441 6.10772 -44.134 GPRESSAVG: 613400 32.1878 85.5728 18.3491 83.9588 19.4751 6.74373 20.4898 6.27181 -43.6041 TIMING: 613400 CPU: 1773.93, 0.00290466/step Wall: 1773.93, 0.00290466/step, 3.53933 hours remaining, 207.539062 MB of memory in use. ENERGY: 613400 773.8515 2077.0881 1929.9521 115.0879 -205957.3049 17602.4452 0.0000 0.0000 34154.7433 -149304.1369 298.2819 -183458.8802 -149198.1938 299.4724 -200.4721 -168.2494 559040.7147 2.8518 2.6863 PRESSURE: 613600 201.919 134.278 54.3041 134.278 -26.0831 9.55807 54.3043 9.55816 -90.9849 GPRESSURE: 613600 243.057 173.739 106.95 62.8437 15.2046 66.7241 -4.36556 -7.57351 -84.3064 PRESSAVG: 613600 27.1162 -4.0884 35.0143 -4.0883 31.9711 0.0283449 35.0143 0.0283522 -27.995 GPRESSAVG: 613600 27.0043 -4.26195 36.8994 -5.93283 32.8307 -1.74438 35.6189 0.244273 -29.0638 TIMING: 613600 CPU: 1774.52, 0.0029296/step Wall: 1774.52, 0.0029296/step, 3.56955 hours remaining, 207.539062 MB of memory in use. ENERGY: 613600 724.0484 2082.8469 1946.4576 114.1060 -206167.8104 17664.5801 0.0000 0.0000 34541.3018 -149094.4698 301.6578 -183635.7716 -148998.6864 299.3271 28.2838 57.9852 556633.4377 10.3641 10.2571 PRESSURE: 613800 -166.291 164.872 -0.385775 164.872 198.436 -64.6293 -0.385286 -64.6288 14.4422 GPRESSURE: 613800 -156.743 114.087 67.2788 183.802 267.704 -32.4346 -45.2341 -74.8691 38.1909 PRESSAVG: 613800 -25.1526 -55.8428 26.9 -55.8427 16.5026 -19.0298 26.8999 -19.0297 -10.5642 GPRESSAVG: 613800 -25.5982 -55.6812 26.6387 -51.5972 16.7448 -18.3668 26.9031 -18.7444 -10.4344 TIMING: 613800 CPU: 1775.1, 0.00291615/step Wall: 1775.1, 0.00291615/step, 3.55301 hours remaining, 207.539062 MB of memory in use. ENERGY: 613800 741.5500 2092.8752 1939.1397 116.1191 -205941.3092 17764.5003 0.0000 0.0000 34285.3402 -149001.7847 299.4224 -183287.1249 -148903.6173 299.8175 15.5290 49.7172 558309.1916 -6.4047 -6.4292 PRESSURE: 614000 -237.275 -40.5039 10.3246 -40.5049 -70.0838 -14.7523 10.3236 -14.7517 -195.125 GPRESSURE: 614000 -221.256 -63.7895 27.9496 -108.576 -51.6635 3.31494 -78.5651 -51.0528 -118.521 PRESSAVG: 614000 -25.3068 -42.673 0.87527 -42.6731 89.6979 -14.8334 0.875303 -14.8333 -35.1293 GPRESSAVG: 614000 -24.7641 -43.0057 0.480197 -43.683 89.7345 -16.2054 1.33639 -14.8733 -35.2354 TIMING: 614000 CPU: 1775.68, 0.00293206/step Wall: 1775.68, 0.00293206/step, 3.57223 hours remaining, 207.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 614000 804.2800 2067.4277 1955.1569 106.2588 -205821.6478 17659.7630 0.0000 0.0000 34288.3152 -148940.4462 299.4484 -183228.7614 -148847.4580 299.2220 -167.4947 -130.4800 559013.8720 9.7539 9.9117 PRESSURE: 614200 -84.133 -47.386 -18.135 -47.3841 -127.739 61.2184 -18.1351 61.2175 120.554 GPRESSURE: 614200 -57.2577 -23.2591 -15.2928 -150.819 -57.6672 74.7182 -9.17069 73.0831 117.215 PRESSAVG: 614200 -31.3481 -0.496411 -52.9861 -0.496318 74.5497 11.393 -52.986 11.393 -17.6275 GPRESSAVG: 614200 -31.266 0.0423403 -52.4938 -1.65617 73.9774 14.1953 -52.7956 9.8421 -17.0736 TIMING: 614200 CPU: 1776.27, 0.00293117/step Wall: 1776.27, 0.00293117/step, 3.57098 hours remaining, 207.539062 MB of memory in use. ENERGY: 614200 763.3617 2118.6677 1959.2468 106.4274 -206060.1931 17746.0913 0.0000 0.0000 34470.1681 -148896.2301 301.0366 -183366.3982 -148797.8161 299.5599 -30.4394 0.7634 558319.4200 8.5247 8.5460 PRESSURE: 614400 107.017 26.537 -77.6179 26.5375 -46.2034 -34.8208 -77.6187 -34.8221 -145.158 GPRESSURE: 614400 85.6321 62.1007 -75.5041 9.34301 18.4397 -1.61468 -44.3281 -43.0796 -86.9305 PRESSAVG: 614400 9.61487 -86.3826 51.115 -86.3826 51.2029 -1.12174 51.1149 -1.12174 -44.4853 GPRESSAVG: 614400 9.63614 -86.3589 51.3962 -85.4007 51.6994 -3.42546 49.2385 0.0847823 -45.1524 TIMING: 614400 CPU: 1776.86, 0.00292046/step Wall: 1776.86, 0.00292046/step, 3.55776 hours remaining, 207.539062 MB of memory in use. ENERGY: 614400 748.5423 2078.9430 1945.9034 122.8104 -205792.7097 17705.7140 0.0000 0.0000 34299.4398 -148891.3567 299.5455 -183190.7965 -148798.4843 299.5676 -28.1150 5.7138 557922.6968 5.4442 5.3944 PRESSURE: 614600 -170.603 -63.3264 -5.37398 -63.328 -111.477 12.4592 -5.37311 12.4593 -317.957 GPRESSURE: 614600 -106.945 -63.279 -25.3313 -26.1557 -108.3 -115.5 68.4078 -42.6363 -283.841 PRESSAVG: 614600 65.2892 16.1486 7.14077 16.1487 4.11052 4.66991 7.14066 4.6698 -42.0627 GPRESSAVG: 614600 65.1488 17.5488 6.60992 16.0996 4.21066 6.58124 10.3837 3.46372 -41.8089 TIMING: 614600 CPU: 1777.44, 0.00290104/step Wall: 1777.44, 0.00290104/step, 3.53395 hours remaining, 207.539062 MB of memory in use. ENERGY: 614600 739.2681 2144.0422 1956.4038 101.4569 -205868.8521 17621.4136 0.0000 0.0000 34432.7839 -148873.4837 300.7101 -183306.2676 -148775.0151 300.5625 -200.0124 -166.3619 557898.0812 9.1123 9.1835 PRESSURE: 614800 131.304 -156.682 88.0992 -156.681 -74.5294 -21.0071 88.0988 -21.0067 120.821 GPRESSURE: 614800 177.395 -132.103 142.908 -114.969 -35.7254 63.7838 60.5514 -2.81043 126 PRESSAVG: 614800 -30.2213 -49.2925 -25.3974 -49.2924 45.397 -30.971 -25.3973 -30.9709 -18.7715 GPRESSAVG: 614800 -30.241 -51.1838 -26.8588 -49.0625 44.4949 -31.041 -24.6118 -29.0674 -18.8737 TIMING: 614800 CPU: 1778.02, 0.00290117/step Wall: 1778.02, 0.00290117/step, 3.53395 hours remaining, 207.539062 MB of memory in use. ENERGY: 614800 748.1800 2100.3379 1956.5470 94.4486 -206038.1687 17871.4113 0.0000 0.0000 34432.5045 -148834.7394 300.7076 -183267.2439 -148737.0503 300.4216 59.1984 89.2232 556854.7081 -1.1986 -1.5399 PRESSURE: 615000 250.894 -106.007 -121.103 -106.007 -42.8687 9.17611 -121.102 9.17468 11.1794 GPRESSURE: 615000 267.783 -66.3545 -75.1832 -157.278 10.2983 -3.50236 -189.088 15.4091 35.5887 PRESSAVG: 615000 43.5547 -9.74106 12.7267 -9.7411 23.6111 -19.3484 12.7267 -19.3485 -54.3981 GPRESSAVG: 615000 44.4745 -8.92392 15.0697 -9.77188 24.3765 -20.4517 8.63786 -18.279 -55.7222 TIMING: 615000 CPU: 1778.59, 0.00287869/step Wall: 1778.59, 0.00287869/step, 3.5064 hours remaining, 207.539062 MB of memory in use. ENERGY: 615000 741.6316 2044.7769 1941.5850 109.7078 -205810.7246 17764.1875 0.0000 0.0000 34233.7104 -148975.1254 298.9715 -183208.8358 -148885.3264 300.9125 73.0681 104.5566 557458.1320 4.2559 4.3763 PRESSURE: 615200 -255.694 -206.055 29.3246 -206.056 -256.268 -117.844 29.3246 -117.846 -294.025 GPRESSURE: 615200 -216.884 -104.629 32.4363 -227.97 -218.652 -108.327 8.98633 -40.783 -276.158 PRESSAVG: 615200 -13.4885 -27.5168 -13.2489 -27.5169 22.3701 -18.9367 -13.2488 -18.9367 18.4631 GPRESSAVG: 615200 -15.0706 -27.8341 -14.9652 -29.5947 22.1904 -18.8882 -10.2286 -20.373 19.7001 TIMING: 615200 CPU: 1779.17, 0.00288232/step Wall: 1779.17, 0.00288232/step, 3.51067 hours remaining, 207.539062 MB of memory in use. ENERGY: 615200 811.6737 2091.1137 1951.5635 121.1437 -205689.1471 17396.7705 0.0000 0.0000 34291.7822 -149025.0998 299.4787 -183316.8820 -148933.6826 299.6586 -268.6624 -237.2314 558187.8598 9.1149 8.9399 PRESSURE: 615400 413.451 -4.70767 -54.2884 -4.7065 282.586 -1.09289 -54.2884 -1.09395 -63.5243 GPRESSURE: 615400 450.451 1.20047 -118.762 -54.8281 324.998 67.5513 12.2332 -83.8222 -48.1964 PRESSAVG: 615400 -2.91096 -37.881 -53.7119 -37.881 68.7988 28.1025 -53.7119 28.1027 -48.5097 GPRESSAVG: 615400 -2.39648 -38.5861 -54.7487 -37.0619 69.3374 30.0243 -53.4226 25.7189 -49.96 TIMING: 615400 CPU: 1779.75, 0.00291773/step Wall: 1779.75, 0.00291773/step, 3.55363 hours remaining, 207.539062 MB of memory in use. ENERGY: 615400 723.1249 2110.3683 1941.0611 111.8047 -206781.5997 18227.3936 0.0000 0.0000 34339.4320 -149328.4152 299.8948 -183667.8472 -149232.5421 299.8178 210.8375 242.4176 557703.6427 5.7927 5.6603 PRESSURE: 615600 -194.014 -82.2451 86.9638 -82.2458 -46.9632 1.52666 86.9632 1.52733 -30.4377 GPRESSURE: 615600 -157.9 -110.182 104.131 -54.9466 -41.9807 21.2218 89.1978 -38.2239 20.4311 PRESSAVG: 615600 -20.9051 -27.0305 39.3211 -27.0305 -22.5235 -26.0752 39.3212 -26.0753 -10.417 GPRESSAVG: 615600 -21.0832 -27.819 40.4796 -25.6871 -22.7558 -27.074 36.6672 -25.1375 -9.85675 TIMING: 615600 CPU: 1780.33, 0.00290829/step Wall: 1780.33, 0.00290829/step, 3.54197 hours remaining, 207.539062 MB of memory in use. ENERGY: 615600 711.2779 2057.9029 1943.0292 117.8316 -206304.1047 17735.9349 0.0000 0.0000 34418.6027 -149319.5255 300.5862 -183738.1282 -149224.6269 298.8518 -90.4717 -59.8165 558465.0798 -17.9485 -17.8986 PRESSURE: 615800 145.532 57.6706 87.6088 57.6694 21.8167 -51.9041 87.6093 -51.9025 52.8887 GPRESSURE: 615800 177.901 -16.4054 86.8874 141.031 61.5599 -80.9875 20.245 -53.2191 84.1053 PRESSAVG: 615800 45.123 -22.8341 -21.121 -22.8341 29.706 6.91519 -21.121 6.91518 -55.1064 GPRESSAVG: 615800 45.6876 -22.1036 -22.771 -24.6627 29.3359 7.12961 -20.0218 7.7364 -55.1416 TIMING: 615800 CPU: 1780.91, 0.00290621/step Wall: 1780.91, 0.00290621/step, 3.53928 hours remaining, 207.539062 MB of memory in use. ENERGY: 615800 709.7939 2101.1292 1964.6782 110.5798 -206299.0164 17817.4990 0.0000 0.0000 34421.6239 -149173.7125 300.6126 -183595.3364 -149070.7210 298.8789 73.4124 107.8554 557548.1661 6.5742 6.6273 PRESSURE: 616000 -112.491 13.8678 53.7399 13.8685 -114.916 90.1982 53.7396 90.1971 -348.958 GPRESSURE: 616000 -42.9906 47.0181 9.93774 -46.5906 -99.3701 106.377 80.6286 81.0328 -336.511 PRESSAVG: 616000 -8.33562 15.8159 13.4886 15.8159 -43.8094 25.4108 13.4887 25.4107 -3.83776 GPRESSAVG: 616000 -9.36709 15.5739 13.0425 17.7271 -43.1654 24.5639 12.7681 26.64 -3.80423 TIMING: 616000 CPU: 1781.5, 0.00291249/step Wall: 1781.5, 0.00291249/step, 3.54676 hours remaining, 207.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 616000 755.3413 2115.6727 1978.9265 101.9670 -205929.4061 17626.8285 0.0000 0.0000 34206.5317 -149144.1383 298.7341 -183350.6701 -149046.5853 299.7661 -192.1217 -159.6240 558749.2669 -18.6609 -18.7789 PRESSURE: 616200 116.539 -56.5779 -6.85508 -56.5777 71.1667 119.498 -6.855 119.499 178.57 GPRESSURE: 616200 209.651 -65.5538 -24.537 -76.8125 77.1312 118.263 -24.0546 113.857 174.984 PRESSAVG: 616200 5.25133 26.0045 32.4362 26.0046 46.5565 -9.97159 32.4361 -9.97156 -35.1064 GPRESSAVG: 616200 6.10352 26.7191 30.2988 26.0656 47.1751 -10.0774 35.536 -12.0974 -36.8867 TIMING: 616200 CPU: 1782.08, 0.00291601/step Wall: 1782.08, 0.00291601/step, 3.55089 hours remaining, 207.539062 MB of memory in use. ENERGY: 616200 806.0768 2110.3152 1949.3725 114.7663 -206628.5325 18064.7426 0.0000 0.0000 34242.2732 -149340.9857 299.0463 -183583.2590 -149255.5352 299.3996 122.0922 153.9221 556131.6807 5.5672 5.4640 LDB: ============= START OF LOAD BALANCING ============== 1785.47 LDB: ============== END OF LOAD BALANCING =============== 1785.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1785.47 LDB: ============= START OF LOAD BALANCING ============== 1785.76 LDB: Largest compute 4822 load 0.029803 is 25.3% of average load 0.117812 LDB: Average compute 0.001720 is 1.5% of average load 0.117812 LDB: TIME 1785.76 LOAD: AVG 0.117812 MAX 0.183111 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.219 MB LDB: TIME 1785.76 LOAD: AVG 0.117812 MAX 0.183111 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: TIME 1785.76 LOAD: AVG 0.117812 MAX 0.183111 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1785.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1785.77 PRESSURE: 616400 -127.775 42.6721 -234.427 42.6724 -195.455 -86.1787 -234.427 -86.1772 11.3255 GPRESSURE: 616400 -109.792 42.9945 -202.662 41.3906 -139.36 -118.564 -232.108 -108.559 43.756 PRESSAVG: 616400 16.2977 51.7862 27.5131 51.7861 -7.47204 -33.0645 27.5131 -33.0645 22.1279 GPRESSAVG: 616400 15.8151 50.768 31.0286 50.8325 -7.54869 -32.0428 25.9133 -34.0391 23.417 TIMING: 616400 CPU: 1782.67, 0.00295462/step Wall: 1782.67, 0.00295462/step, 3.59774 hours remaining, 207.414062 MB of memory in use. ENERGY: 616400 811.3542 2038.7500 1951.6842 117.9886 -206577.0223 17802.2720 0.0000 0.0000 34335.0941 -149519.8791 299.8569 -183854.9732 -149421.8907 298.6894 -103.9683 -68.4652 556417.4613 10.3178 10.5612 PRESSURE: 616600 -159.824 70.8043 90.4233 70.8042 -252.626 -27.6716 90.4222 -27.6708 -204.78 GPRESSURE: 616600 -102.912 55.6621 76.0261 84.7743 -256.572 -80.5986 108.715 -82.6887 -175.739 PRESSAVG: 616600 16.1615 -12.0634 11.6664 -12.0633 -7.21101 -68.5593 11.6665 -68.5592 6.96606 GPRESSAVG: 616600 18.1021 -9.85954 12.5384 -12.9872 -9.11013 -70.7542 11.3146 -65.72 5.75332 TIMING: 616600 CPU: 1783.25, 0.00288858/step Wall: 1783.25, 0.00288858/step, 3.51717 hours remaining, 207.613281 MB of memory in use. ENERGY: 616600 738.7474 2076.9032 1966.9115 111.0545 -206427.7688 17764.7394 0.0000 0.0000 34217.4764 -149551.9365 298.8297 -183769.4129 -149452.9556 298.2480 -205.7433 -178.4077 557652.8635 5.3055 4.9151 PRESSURE: 616800 88.8588 -31.9866 102.971 -31.9864 -80.6142 13.9438 102.972 13.9456 206.281 GPRESSURE: 616800 92.0499 1.58232 78.9367 -28.5345 -12.7948 34.4947 192.675 7.51895 231.017 PRESSAVG: 616800 -22.6534 8.63083 -8.10964 8.63084 -25.2592 18.0731 -8.10969 18.0732 54.1393 GPRESSAVG: 616800 -24.0207 7.0162 -8.67046 10.1336 -24.9091 18.3685 -9.29461 19.623 55.6028 TIMING: 616800 CPU: 1783.83, 0.00291263/step Wall: 1783.83, 0.00291263/step, 3.54629 hours remaining, 207.613281 MB of memory in use. ENERGY: 616800 784.9903 2065.4792 1956.8409 115.0744 -206327.9342 17832.5504 0.0000 0.0000 34044.1307 -149528.8684 297.3159 -183572.9991 -149428.9074 298.4761 71.5084 103.4241 556748.5725 2.0755 2.2244 PRESSURE: 617000 -169.883 -171.148 -4.32754 -171.148 -79.7842 0.730204 -4.32689 0.731109 -109.691 GPRESSURE: 617000 -164.211 -199.626 3.44272 -175.855 -27.9971 -6.16713 -15.6266 -20.4042 -84.3624 PRESSAVG: 617000 109.229 -30.3943 27.4963 -30.3942 -26.4566 -32.745 27.4962 -32.7449 -52.7513 GPRESSAVG: 617000 110.437 -31.7131 28.0681 -31.4069 -26.8257 -32.6234 27.3159 -34.8891 -53.6148 TIMING: 617000 CPU: 1784.41, 0.00291145/step Wall: 1784.41, 0.00291144/step, 3.54468 hours remaining, 207.613281 MB of memory in use. ENERGY: 617000 791.6053 2077.4100 1924.3340 108.3632 -206132.8075 17736.6495 0.0000 0.0000 34019.5733 -149474.8721 297.1014 -183494.4454 -149376.8745 298.2584 -119.7859 -92.1902 558245.2845 10.0071 9.9987 PRESSURE: 617200 168.338 -76.4485 -51.3504 -76.449 29.8535 -100.98 -51.351 -100.98 117.799 GPRESSURE: 617200 188.998 -54.4433 78.339 -42.6032 82.8196 -158.787 -37.5774 -83.6872 143.512 PRESSAVG: 617200 68.3076 -37.9343 12.344 -37.9342 -28.0939 37.4545 12.344 37.4544 -39.1755 GPRESSAVG: 617200 66.64 -36.854 12.6095 -37.9694 -26.5931 38.6845 13.6156 36.6004 -39.1847 TIMING: 617200 CPU: 1785, 0.00290748/step Wall: 1785, 0.00290748/step, 3.53969 hours remaining, 207.613281 MB of memory in use. ENERGY: 617200 713.8334 2141.9474 1965.1553 108.0602 -206735.4619 18068.1844 0.0000 0.0000 34065.6201 -149672.6612 297.5035 -183738.2813 -149589.1652 297.8432 105.3305 138.4432 557045.0532 0.3461 0.2874 PRESSURE: 617400 -49.5359 31.5863 21.8066 31.5861 61.3134 5.9225 21.8062 5.92089 -127.836 GPRESSURE: 617400 24.4376 26.5599 37.5857 25.0635 95.565 -21.7542 46.9199 61.8401 -124.802 PRESSAVG: 617400 -31.3271 -15.587 10.7638 -15.587 38.5197 21.0933 10.7636 21.0933 -24.7009 GPRESSAVG: 617400 -30.2747 -16.0906 10.5283 -14.6693 37.4251 21.1646 9.41956 19.9698 -24.5705 TIMING: 617400 CPU: 1785.58, 0.00290433/step Wall: 1785.58, 0.00290433/step, 3.5357 hours remaining, 207.613281 MB of memory in use. ENERGY: 617400 754.1468 2120.4741 1937.0472 110.2389 -206635.1984 17824.5281 0.0000 0.0000 34353.8956 -149534.8677 300.0211 -183888.7633 -149434.5493 298.5605 -38.6863 -1.5998 557636.0630 -5.8361 -5.8067 PRESSURE: 617600 83.8078 -67.7501 21.489 -67.7506 -108.818 -53.8527 21.4867 -53.8539 -5.01664 GPRESSURE: 617600 118.051 -85.8915 -13.4597 -116.751 -88.8004 -19.1004 43.8722 -53.9174 33.4627 PRESSAVG: 617600 1.71085 -81.4867 1.59076 -81.4868 -20.1869 -5.22842 1.59074 -5.22841 14.4861 GPRESSAVG: 617600 1.90583 -80.409 0.151229 -81.7017 -19.0386 -4.47351 3.58623 -3.20716 13.8905 TIMING: 617600 CPU: 1786.16, 0.00290657/step Wall: 1786.16, 0.00290657/step, 3.53827 hours remaining, 207.613281 MB of memory in use. ENERGY: 617600 780.8267 2085.8312 1915.0429 114.0921 -206394.2145 17834.5563 0.0000 0.0000 34254.9039 -149408.9614 299.1566 -183663.8653 -149312.3738 298.5205 -10.0091 20.9046 557607.3631 -1.3300 -1.0808 PRESSURE: 617800 95.4717 24.2992 125.406 24.2995 101.777 14.771 125.406 14.7707 -91.1957 GPRESSURE: 617800 127.582 61.2344 42.6805 -12.9107 97.8125 -16.1045 86.4538 27.1402 -21.1629 PRESSAVG: 617800 62.7451 -55.6697 27.8946 -55.6696 -35.1174 -25.0028 27.8946 -25.0028 -18.0077 GPRESSAVG: 617800 62.391 -55.482 26.427 -57.2848 -35.6899 -25.6899 29.1352 -26.1643 -17.1188 TIMING: 617800 CPU: 1786.74, 0.00291515/step Wall: 1786.74, 0.00291515/step, 3.54854 hours remaining, 207.613281 MB of memory in use. ENERGY: 617800 765.2390 2092.2512 1929.7476 118.8407 -206600.4124 17914.0019 0.0000 0.0000 34392.1396 -149388.1925 300.3551 -183780.3321 -149284.2727 299.0064 35.3511 68.0772 556878.3167 3.2067 3.1941 PRESSURE: 618000 -18.7108 -46.9445 -43.5433 -46.9446 -108.755 75.4583 -43.5432 75.457 -298.782 GPRESSURE: 618000 62.9372 -23.6618 -26.7825 -72.801 -136.762 92.2647 -100.48 -9.25675 -249.263 PRESSAVG: 618000 10.1594 -32.3137 -52.7803 -32.3136 12.7113 -17.0754 -52.7803 -17.0754 -51.8553 GPRESSAVG: 618000 10.8493 -35.8439 -51.3085 -29.6792 11.1295 -16.8371 -55.443 -15.9006 -50.9588 TIMING: 618000 CPU: 1787.32, 0.00291343/step Wall: 1787.32, 0.00291343/step, 3.54629 hours remaining, 207.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 618000 734.5648 2091.5488 1934.6690 117.4377 -206208.9467 17662.7874 0.0000 0.0000 34235.0819 -149432.8571 298.9835 -183667.9391 -149339.3586 299.3756 -142.0826 -107.6961 557406.0850 -9.6616 -9.6600 PRESSURE: 618200 55.6748 -66.1062 -12.6337 -66.1047 143.391 -67.419 -12.6332 -67.4183 28.1158 GPRESSURE: 618200 123.363 -116.651 -21.427 38.8987 194.688 -140.839 -41.7552 7.37149 1.49458 PRESSAVG: 618200 25.3702 -54.5255 18.2569 -54.5255 17.6176 2.63986 18.257 2.64003 -15.5844 GPRESSAVG: 618200 25.3885 -51.4666 19.158 -55.7791 18.9237 0.652605 19.7895 2.65788 -16.9778 TIMING: 618200 CPU: 1787.9, 0.00289227/step Wall: 1787.9, 0.00289227/step, 3.52037 hours remaining, 207.613281 MB of memory in use. ENERGY: 618200 734.6779 2084.3921 1923.8753 114.6850 -206148.6362 17815.3232 0.0000 0.0000 33942.8121 -149532.8706 296.4310 -183475.6827 -149430.9557 298.6946 75.7271 106.5154 556417.5742 9.1345 9.1115 PRESSURE: 618400 -38.3245 -29.833 -115.033 -29.8325 -64.911 35.8519 -115.033 35.8518 -180.553 GPRESSURE: 618400 29.7362 -65.8904 -128.866 -51.4148 -62.4577 -64.5143 -94.2221 87.6165 -156.861 PRESSAVG: 618400 9.53202 53.9343 -2.50218 53.9343 -38.1945 34.113 -2.50223 34.113 17.5623 GPRESSAVG: 618400 8.59084 52.2691 -2.64374 52.9067 -38.8954 34.5418 -2.84423 35.0221 18.9171 TIMING: 618400 CPU: 1788.48, 0.00287646/step Wall: 1788.48, 0.00287646/step, 3.50097 hours remaining, 207.613281 MB of memory in use. ENERGY: 618400 756.2627 2119.6790 1925.4885 109.2231 -206392.9045 17684.2400 0.0000 0.0000 34121.2341 -149676.7772 297.9892 -183798.0113 -149572.5368 298.5255 -94.5961 -63.1942 555821.7654 -3.7001 -3.7958 PRESSURE: 618600 46.5294 31.2313 85.3293 31.2319 206.567 -158.028 85.3296 -158.029 -22.0188 GPRESSURE: 618600 86.469 30.8093 114.628 74.1182 269.245 -151.336 39.9536 -171.977 -25.9016 PRESSAVG: 618600 20.4755 -68.972 11.6726 -68.972 3.1738 -6.97731 11.6727 -6.97734 -62.4228 GPRESSAVG: 618600 21.0223 -69.7952 11.4309 -68.1459 3.72345 -4.17431 12.0236 -9.63883 -63.6235 TIMING: 618600 CPU: 1789.06, 0.00291929/step Wall: 1789.06, 0.00291929/step, 3.55294 hours remaining, 207.613281 MB of memory in use. ENERGY: 618600 726.1931 2063.7842 1909.4610 114.8522 -206592.1041 17927.7669 0.0000 0.0000 34342.2157 -149507.8309 299.9191 -183850.0466 -149408.2753 297.8515 77.0259 109.9374 555380.6544 -12.9245 -12.9592 PRESSURE: 618800 -140.216 -86.8062 11.883 -86.8065 -28.9132 119.847 11.8828 119.846 57.6355 GPRESSURE: 618800 -145.843 -90.5451 101.623 -26.3855 6.54057 171.75 -38.0354 102.473 131.748 PRESSAVG: 618800 8.42052 -36.292 57.6331 -36.2921 52.0608 15.7308 57.633 15.7307 -57.3124 GPRESSAVG: 618800 9.29638 -34.6578 60.1081 -35.2967 52.8729 15.2985 58.4038 14.4093 -58.5245 TIMING: 618800 CPU: 1789.64, 0.00289939/step Wall: 1789.64, 0.00289939/step, 3.52856 hours remaining, 207.613281 MB of memory in use. ENERGY: 618800 733.7788 2144.6691 1911.9365 121.0871 -206452.9411 17735.0004 0.0000 0.0000 34270.2749 -149536.1943 299.2908 -183806.4692 -149439.6946 299.2561 -37.1646 -2.5182 556250.8487 1.0563 1.2149 PRESSURE: 619000 -25.1068 -78.6586 32.1269 -78.6596 -163.354 -95.4102 32.1261 -95.4099 -122.003 GPRESSURE: 619000 37.32 -64.9781 142.526 -123.993 -178.305 -36.6246 -77.1581 -183.573 -77.8984 PRESSAVG: 619000 36.0128 0.679686 57.6189 0.679729 -16.8082 62.7427 57.6189 62.7426 -12.1634 GPRESSAVG: 619000 35.4696 0.734085 56.1342 -0.51076 -17.6332 63.3812 56.0062 64.3366 -10.997 TIMING: 619000 CPU: 1790.23, 0.00293443/step Wall: 1790.23, 0.00293443/step, 3.57104 hours remaining, 207.613281 MB of memory in use. ENERGY: 619000 769.2632 2058.9202 1926.5211 123.9985 -206092.1551 17559.3759 0.0000 0.0000 34205.7242 -149448.3520 298.7271 -183654.0762 -149346.7262 298.8240 -103.4876 -72.9610 556131.1106 2.3471 2.2798 PRESSURE: 619200 -233.527 125.534 -19.7355 125.534 26.6436 -52.1636 -19.7352 -52.1656 -5.60268 GPRESSURE: 619200 -122.366 67.5706 -79.6371 99.9381 4.64307 -109.908 -50.7852 3.09604 3.32182 PRESSAVG: 619200 32.7145 10.3904 40.3512 10.3905 -10.3571 25.2349 40.3511 25.2348 -45.2033 GPRESSAVG: 619200 34.0452 11.8073 40.3288 9.7646 -11.6585 25.0388 40.5159 25.3221 -44.9025 TIMING: 619200 CPU: 1790.81, 0.0029268/step Wall: 1790.81, 0.0029268/step, 3.56159 hours remaining, 207.613281 MB of memory in use. ENERGY: 619200 729.3489 2068.1023 1914.8522 126.3291 -206345.8196 17680.1906 0.0000 0.0000 34427.3260 -149399.6706 300.6624 -183826.9966 -149300.8594 299.3343 -70.8286 -38.1339 556450.8644 -7.6153 -7.5053 PRESSURE: 619400 -88.0663 -36.8937 220.016 -36.894 -143.319 -6.76647 220.016 -6.76648 91.5965 GPRESSURE: 619400 -48.438 -82.1131 182.466 -41.8894 -208.301 -20.408 87.5674 31.2876 221.808 PRESSAVG: 619400 54.8399 24.889 -48.2539 24.889 -28.9904 19.2748 -48.2539 19.2749 9.33627 GPRESSAVG: 619400 54.4316 22.7187 -48.9268 26.1242 -27.4 18.9355 -47.1081 17.111 8.69861 TIMING: 619400 CPU: 1791.4, 0.00291753/step Wall: 1791.4, 0.00291753/step, 3.55015 hours remaining, 207.613281 MB of memory in use. ENERGY: 619400 744.9687 2046.6897 1953.9936 102.0663 -206188.7998 17680.8973 0.0000 0.0000 34164.1100 -149496.0742 298.3637 -183660.1842 -149406.5574 298.8362 -46.5962 -11.6438 557035.2126 11.7286 11.9101 PRESSURE: 619600 159.77 -58.8268 112.323 -58.8278 258.349 69.7796 112.323 69.7794 170.113 GPRESSURE: 619600 204.085 -62.9443 127.542 -29.6772 266.715 87.8523 95.3879 157.193 212.075 PRESSAVG: 619600 23.3171 57.8166 6.72882 57.8166 -27.7139 -5.01446 6.72877 -5.01449 -36.6249 GPRESSAVG: 619600 22.6002 58.044 9.12559 55.5511 -28.3665 -6.67354 5.68984 -1.38637 -35.4837 TIMING: 619600 CPU: 1791.98, 0.00290809/step Wall: 1791.98, 0.00290809/step, 3.53849 hours remaining, 207.613281 MB of memory in use. ENERGY: 619600 721.1699 2098.7629 1926.3569 111.1464 -206752.7243 18091.4406 0.0000 0.0000 34371.9363 -149431.9113 300.1787 -183803.8476 -149334.9494 298.2348 196.0775 227.6251 556124.9030 -13.6739 -13.7500 PRESSURE: 619800 -379.799 -87.9497 -60.872 -87.9506 -183.538 -22.9656 -60.8709 -22.9649 -144.643 GPRESSURE: 619800 -318.031 -152.993 -81.3498 -92.6427 -147.559 -44.1756 -59.3902 50.0002 -153.405 PRESSAVG: 619800 -23.137 47.1959 -70.0643 47.1958 -3.35448 27.9643 -70.0643 27.9643 85.3251 GPRESSAVG: 619800 -23.4224 47.5781 -71.5396 48.6663 -0.879128 30.3634 -69.7039 27.487 83.1861 TIMING: 619800 CPU: 1792.55, 0.00288532/step Wall: 1792.55, 0.00288532/step, 3.51063 hours remaining, 207.613281 MB of memory in use. ENERGY: 619800 781.2412 2091.9548 1971.2231 112.4637 -206021.2193 17626.4698 0.0000 0.0000 33963.7130 -149474.1536 296.6136 -183437.8666 -149380.4694 298.7815 -235.9933 -206.3319 557444.5914 19.6112 19.6282 PRESSURE: 620000 -170.186 180.219 -69.1177 180.219 -312.044 -156.764 -69.1165 -156.765 49.9521 GPRESSURE: 620000 -178.538 192.49 41.7124 194.922 -262.894 -153.15 -217.167 -165.25 96.0585 PRESSAVG: 620000 -11.5913 -33.3644 -47.2955 -33.3645 -40.9017 -19.2009 -47.2955 -19.2009 44.1425 GPRESSAVG: 620000 -11.8028 -33.0501 -46.1036 -32.8405 -41.3262 -20.0699 -47.3335 -19.7177 45.2237 TIMING: 620000 CPU: 1793.14, 0.00291588/step Wall: 1793.14, 0.00291588/step, 3.54766 hours remaining, 207.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 620000 779.2935 2111.7910 1926.6019 114.1149 -206525.5895 17766.9570 0.0000 0.0000 34223.6732 -149603.1580 298.8839 -183826.8312 -149513.2106 298.3258 -144.0924 -115.1246 555692.5741 -2.7835 -2.6351 PRESSURE: 620200 -43.0237 -1.81361 194.717 -1.81394 -3.59386 61.8021 194.717 61.8008 92.1388 GPRESSURE: 620200 46.8657 -52.523 197.515 48.912 28.4021 11.9982 227.112 93.0598 71.8371 PRESSAVG: 620200 -27.9673 -42.4314 1.12764 -42.4314 -50.9358 -27.9295 1.1277 -27.9295 53.5709 GPRESSAVG: 620200 -26.548 -44.8554 -2.29355 -42.0347 -51.5857 -28.5999 3.88863 -29.4326 53.0851 TIMING: 620200 CPU: 1793.72, 0.00290296/step Wall: 1793.72, 0.00290296/step, 3.53177 hours remaining, 207.613281 MB of memory in use. ENERGY: 620200 743.0045 2093.2021 1960.6414 119.7401 -206465.3668 17860.8958 0.0000 0.0000 34389.5701 -149298.3128 300.3327 -183687.8829 -149208.7090 298.6486 15.1738 49.0350 556117.6923 -8.4440 -8.3495 LDB: ============= START OF LOAD BALANCING ============== 1797.11 LDB: ============== END OF LOAD BALANCING =============== 1797.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1797.11 LDB: ============= START OF LOAD BALANCING ============== 1797.4 LDB: Largest compute 4820 load 0.028366 is 24.1% of average load 0.117827 LDB: Average compute 0.001720 is 1.5% of average load 0.117827 LDB: TIME 1797.4 LOAD: AVG 0.117827 MAX 0.185449 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.93 MB LDB: TIME 1797.4 LOAD: AVG 0.117827 MAX 0.185449 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.93 MB LDB: TIME 1797.4 LOAD: AVG 0.117827 MAX 0.185449 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.93 MB LDB: ============== END OF LOAD BALANCING =============== 1797.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1797.41 PRESSURE: 620400 -78.9537 -40.0473 93.6373 -40.0473 -21.9723 -57.7382 93.6364 -57.7372 -39.1657 GPRESSURE: 620400 -32.727 -8.88497 67.6377 -32.4013 -20.362 -23.9426 200.301 -14.3394 24.4106 PRESSAVG: 620400 17.0543 -47.1836 -16.9495 -47.1836 -21.5821 80.2179 -16.9495 80.2179 38.5274 GPRESSAVG: 620400 15.645 -43.7992 -13.8893 -47.6309 -21.8695 79.7256 -17.7318 81.1509 40.0902 TIMING: 620400 CPU: 1794.31, 0.00296124/step Wall: 1794.31, 0.00296124/step, 3.60252 hours remaining, 207.187500 MB of memory in use. ENERGY: 620400 775.6831 2082.1672 1947.5708 114.1911 -206187.9782 17784.3270 0.0000 0.0000 34128.9932 -149355.0459 298.0570 -183484.0391 -149262.2011 299.5652 -46.6972 -9.5595 556494.2076 11.3332 11.2885 PRESSURE: 620600 101.912 54.8736 55.6491 54.8733 -18.1952 -109.031 55.6495 -109.031 81.0831 GPRESSURE: 620600 96.3087 57.945 37.3184 114.387 2.50153 -122.69 29.4482 -60.2938 162.736 PRESSAVG: 620600 55.9606 57.1163 4.47089 57.1163 -67.7899 -22.9694 4.47091 -22.9694 -11.7159 GPRESSAVG: 620600 55.5848 54.8958 4.46031 57.9116 -66.7079 -23.1293 2.87915 -21.5776 -12.3759 TIMING: 620600 CPU: 1794.89, 0.00289898/step Wall: 1794.89, 0.00289899/step, 3.52662 hours remaining, 207.187500 MB of memory in use. ENERGY: 620600 703.3508 2053.2061 1923.2076 109.9832 -206498.7720 17893.7119 0.0000 0.0000 34544.9832 -149270.3292 301.6899 -183815.3124 -149170.9553 299.1640 54.9333 87.1820 557088.9986 -7.8484 -7.8330 PRESSURE: 620800 -16.3046 4.98786 -74.4696 4.98739 -25.5134 -40.5216 -74.4686 -40.5216 110.24 GPRESSURE: 620800 42.347 -14.965 -145.785 -37.3244 -72.8152 -12.4304 -63.613 -137.041 192.892 PRESSAVG: 620800 117.279 -9.98675 29.6703 -9.98677 -91.6583 12.6505 29.6702 12.6504 -17.1612 GPRESSAVG: 620800 118.172 -8.4458 31.0412 -12.5813 -93.0083 13.5248 29.7824 11.1606 -16.9159 TIMING: 620800 CPU: 1795.47, 0.00290267/step Wall: 1795.47, 0.00290267/step, 3.53094 hours remaining, 207.187500 MB of memory in use. ENERGY: 620800 744.0998 2090.0580 1962.8613 114.9573 -206047.3703 17810.0154 0.0000 0.0000 34204.1291 -149121.2494 298.7132 -183325.3784 -149022.1174 299.1350 22.8074 54.1412 556981.4489 2.8197 2.7492 PRESSURE: 621000 -86.7992 -59.0918 5.41422 -59.0929 -222.679 122.141 5.41412 122.14 22.1397 GPRESSURE: 621000 -19.016 29.8644 -33.183 -61.3026 -229.846 34.4041 68.5475 145.646 53.5517 PRESSAVG: 621000 -19.5203 4.55873 57.3231 4.55869 -4.69493 16.6654 57.3231 16.6654 35.356 GPRESSAVG: 621000 -18.6298 5.29533 54.7929 5.94124 -4.2222 15.6873 57.3684 17.0535 34.3814 TIMING: 621000 CPU: 1796.05, 0.00289549/step Wall: 1796.05, 0.00289549/step, 3.52204 hours remaining, 207.187500 MB of memory in use. ENERGY: 621000 710.7829 2082.5513 1938.2916 117.3861 -205644.5293 17541.9739 0.0000 0.0000 34239.0452 -149014.4983 299.0181 -183253.5435 -148922.1881 299.4565 -95.7794 -65.1035 559235.8100 3.7136 3.8431 PRESSURE: 621200 155.944 -5.47286 49.0296 -5.47323 71.0294 20.6886 49.0298 20.6903 266.805 GPRESSURE: 621200 170.877 -6.85505 166.209 -49.6461 133.102 94.4567 -4.69538 -44.2956 288.912 PRESSAVG: 621200 16.6318 48.3431 10.5128 48.3431 22.9288 5.69807 10.5128 5.69807 3.62914 GPRESSAVG: 621200 17.1321 46.2283 9.65943 48.4035 23.1335 6.40053 11.649 4.52688 3.14933 TIMING: 621200 CPU: 1796.62, 0.00286873/step Wall: 1796.62, 0.00286873/step, 3.48933 hours remaining, 207.187500 MB of memory in use. ENERGY: 621200 752.7303 2087.5352 1926.2604 118.3343 -206304.7086 17980.7509 0.0000 0.0000 34447.9394 -148991.1580 300.8424 -183439.0974 -148905.7233 300.3949 164.5928 197.6301 558075.9797 14.3966 14.4717 PRESSURE: 621400 -126.416 150.248 129.057 150.248 149.567 34.4902 129.056 34.4898 -398.935 GPRESSURE: 621400 -117.294 112.38 147.713 149.372 177.118 36.7832 123.512 99.7408 -346.845 PRESSAVG: 621400 -26.0029 67.4582 -11.7396 67.4581 30.3654 15.4716 -11.7396 15.4715 -27.98 GPRESSAVG: 621400 -26.3818 69.7069 -8.76442 66.8474 28.7574 15.2081 -14.224 15.677 -26.4329 TIMING: 621400 CPU: 1797.2, 0.00287541/step Wall: 1797.2, 0.00287541/step, 3.4973 hours remaining, 207.187500 MB of memory in use. ENERGY: 621400 792.3197 2157.6793 1929.1278 131.6552 -205734.2731 17742.3125 0.0000 0.0000 34121.7476 -148859.4311 297.9937 -182981.1787 -148765.3946 299.7261 -125.2611 -95.6736 558725.6029 -7.8725 -8.0191 PRESSURE: 621600 201.049 -97.8777 32.3091 -97.8783 323.194 -20.1217 32.3093 -20.1213 267.733 GPRESSURE: 621600 240.495 -88.1222 -0.235214 -41.6821 291.829 -0.176373 71.6591 -24.6188 355.418 PRESSAVG: 621600 0.685392 22.4138 21.0177 22.4138 7.14779 -9.05697 21.0177 -9.05696 37.876 GPRESSAVG: 621600 1.00296 23.2117 19.5537 21.8763 7.70327 -9.24335 22.7586 -8.11807 36.7 TIMING: 621600 CPU: 1797.77, 0.00287434/step Wall: 1797.77, 0.00287434/step, 3.49583 hours remaining, 207.187500 MB of memory in use. ENERGY: 621600 729.8142 2205.0799 1922.2322 106.8241 -206422.1185 18138.5447 0.0000 0.0000 34427.0855 -148892.5378 300.6603 -183319.6233 -148795.2089 300.9498 263.9921 295.9140 557441.3030 15.2364 15.1354 PRESSURE: 621800 -183.806 108.549 151.736 108.55 -131.683 -51.6456 151.736 -51.6457 175.077 GPRESSURE: 621800 -109.886 145.126 109.852 57.8638 -121.871 -22.451 149.266 -27.6582 194.255 PRESSAVG: 621800 -21.5937 24.261 57.3982 24.261 -13.7127 5.46233 57.3982 5.46226 13.748 GPRESSAVG: 621800 -22.4968 23.3265 57.5664 23.9515 -13.0107 6.045 57.5838 5.20981 13.957 TIMING: 621800 CPU: 1798.36, 0.00291381/step Wall: 1798.36, 0.00291381/step, 3.54368 hours remaining, 207.187500 MB of memory in use. ENERGY: 621800 742.5398 2079.3791 1955.2468 121.1898 -205785.2435 17706.2482 0.0000 0.0000 34290.5779 -148890.0619 299.4681 -183180.6398 -148799.2965 300.8118 -46.8043 -12.5008 558266.8652 -7.1861 -7.1835 PRESSURE: 622000 -84.8538 -22.0516 -44.1077 -22.0506 86.0126 -38.3171 -44.1061 -38.3163 27.516 GPRESSURE: 622000 -1.52332 -3.33998 -79.1588 -5.28945 127.193 -135.246 -7.80494 -26.1277 5.79335 PRESSAVG: 622000 14.2355 -12.5181 18.887 -12.5181 -20.0848 3.54095 18.8869 3.54086 41.6289 GPRESSAVG: 622000 15.4142 -11.7583 20.5725 -13.0626 -21.7245 2.10986 18.0874 4.07626 42.2322 TIMING: 622000 CPU: 1798.93, 0.00288971/step Wall: 1798.93, 0.00288971/step, 3.51421 hours remaining, 207.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 622000 724.0386 2085.1607 1960.1805 121.9251 -206091.7953 17753.0663 0.0000 0.0000 34545.0858 -148902.3382 301.6908 -183447.4239 -148801.4382 300.7033 9.5582 43.8212 557443.7879 11.9265 11.9740 PRESSURE: 622200 161.323 53.0754 97.1384 53.0752 42.3734 -185.025 97.139 -185.025 143.009 GPRESSURE: 622200 215.732 21.036 77.8868 89.009 68.7599 -238.106 180.329 -143.586 156.203 PRESSAVG: 622200 26.0757 16.6629 1.23422 16.6629 -46.8489 -77.4328 1.23419 -77.4329 16.2623 GPRESSAVG: 622200 25.7946 13.6511 0.24023 18.7217 -47.1331 -75.487 1.04856 -77.696 16.5386 TIMING: 622200 CPU: 1799.51, 0.00288299/step Wall: 1799.51, 0.00288299/step, 3.50587 hours remaining, 207.187500 MB of memory in use. ENERGY: 622200 799.4983 2090.2537 1930.5988 117.1924 -206226.2283 17993.7467 0.0000 0.0000 34278.7032 -149016.2352 299.3644 -183294.9383 -148920.9081 300.1277 115.5685 146.8982 556133.4989 -1.5037 -1.6000 PRESSURE: 622400 -61.3094 -76.1809 33.2853 -76.1803 180.59 -174.378 33.2853 -174.377 -61.3928 GPRESSURE: 622400 -24.8667 -126.692 62.7555 -68.4946 198.986 -96.51 51.9219 -174.468 -19.912 PRESSAVG: 622400 1.73405 -46.0019 33.5772 -46.0019 -23.6799 -24.1909 33.5772 -24.1909 40.5061 GPRESSAVG: 622400 0.709991 -44.4641 34.4023 -46.675 -22.7397 -23.3542 33.837 -24.5208 40.2633 TIMING: 622400 CPU: 1800.09, 0.00290606/step Wall: 1800.09, 0.00290606/step, 3.53377 hours remaining, 207.187500 MB of memory in use. ENERGY: 622400 730.1460 2042.9052 1900.3728 114.5157 -205923.5035 17827.7366 0.0000 0.0000 34196.1394 -149111.6877 298.6434 -183307.8271 -149013.0776 299.8100 19.2958 51.4023 558310.4270 6.1867 6.0778 PRESSURE: 622600 47.6162 96.1727 -6.06466 96.1723 -17.5665 -37.8009 -6.06345 -37.7996 -216.454 GPRESSURE: 622600 70.9606 74.0031 -15.6151 120.925 55.0185 3.90815 -22.203 3.25333 -219.338 PRESSAVG: 622600 -9.12281 -22.2412 30.5288 -22.2413 -34.7593 -31.5037 30.5287 -31.5038 61.8935 GPRESSAVG: 622600 -8.72711 -21.2208 31.2889 -24.0109 -34.2098 -31.9905 29.0907 -31.0744 60.9109 TIMING: 622600 CPU: 1800.67, 0.00290873/step Wall: 1800.67, 0.00290873/step, 3.53685 hours remaining, 207.187500 MB of memory in use. ENERGY: 622600 752.6561 2112.5454 1942.2621 132.1355 -206373.8665 17979.3582 0.0000 0.0000 34308.4130 -149146.4963 299.6239 -183454.9093 -149041.8734 299.4096 -62.1349 -31.1197 557819.8462 6.0038 5.9913 PRESSURE: 622800 141.653 116.366 -72.4983 116.366 139.041 -73.3766 -72.4988 -73.3775 23.6103 GPRESSURE: 622800 232.833 68.1325 -85.0462 111.057 193.212 -45.9143 -49.5543 -105.093 -22.8306 PRESSAVG: 622800 11.5242 6.73687 -18.6042 6.73678 -13.1861 -38.46 -18.6042 -38.4597 -25.1495 GPRESSAVG: 622800 11.2676 7.23742 -20.7196 7.88992 -13.3445 -38.5671 -14.3691 -37.7403 -25.0112 TIMING: 622800 CPU: 1801.26, 0.00290849/step Wall: 1801.26, 0.00290849/step, 3.5364 hours remaining, 207.187500 MB of memory in use. ENERGY: 622800 789.8405 2079.7944 1944.0005 110.5729 -206518.5008 18075.9988 0.0000 0.0000 34164.7162 -149353.5775 298.3690 -183518.2936 -149256.9369 299.2907 101.4349 134.4048 557951.1839 -8.9371 -9.0294 PRESSURE: 623000 35.0525 88.3882 -117.588 88.3866 -514.403 111.783 -117.589 111.782 19.2383 GPRESSURE: 623000 18.0146 20.5741 -150.728 16.3964 -447.035 197.616 -95.81 98.6858 68.8743 PRESSAVG: 623000 -43.2148 -28.1587 -24.8291 -28.1588 -9.33758 -55.063 -24.829 -55.0631 55.8944 GPRESSAVG: 623000 -43.2861 -28.2876 -25.3691 -27.5351 -9.30549 -54.3802 -25.3281 -56.5749 56.1793 TIMING: 623000 CPU: 1801.84, 0.00291525/step Wall: 1801.84, 0.00291525/step, 3.54445 hours remaining, 207.187500 MB of memory in use. ENERGY: 623000 729.9955 2092.9287 1917.8620 119.0736 -206494.8310 17737.2837 0.0000 0.0000 34402.2620 -149495.4254 300.4435 -183897.6874 -149398.2857 298.7130 -153.3708 -120.0487 557398.7926 1.1140 1.1959 PRESSURE: 623200 -19.7891 124.713 -13.5699 124.713 -113.409 -133.831 -13.5707 -133.832 -300.17 GPRESSURE: 623200 38.2511 110.18 62.868 94.7817 -25.6008 -98.165 -95.3619 -179.737 -345.137 PRESSAVG: 623200 39.6986 24.6951 -10.7937 24.6951 -16.9564 2.14038 -10.7937 2.14033 9.78402 GPRESSAVG: 623200 39.6658 22.5629 -9.26252 28.0896 -16.6618 0.51802 -12.3609 3.08104 9.94053 TIMING: 623200 CPU: 1802.42, 0.00291496/step Wall: 1802.42, 0.00291496/step, 3.54395 hours remaining, 207.187500 MB of memory in use. ENERGY: 623200 780.5760 2054.3594 1934.8822 117.2445 -206456.1414 17789.0255 0.0000 0.0000 34270.7788 -149509.2750 299.2952 -183780.0538 -149410.9220 298.6760 -144.4558 -110.8288 556644.9852 10.8421 10.9815 PRESSURE: 623400 -193.898 -76.6644 -126.05 -76.6639 -404.328 -44.8201 -126.05 -44.8194 -20.3911 GPRESSURE: 623400 -127.993 -115.591 -176.662 -66.0405 -404.225 -21.5101 -133.412 -71.4413 11.0159 PRESSAVG: 623400 34.5477 81.0825 -7.07 81.0825 4.53857 -28.7439 -7.07006 -28.744 -23.7597 GPRESSAVG: 623400 34.6301 82.9202 -6.40958 78.4802 3.64326 -27.6146 -7.91385 -27.7864 -23.2973 TIMING: 623400 CPU: 1803.01, 0.00292417/step Wall: 1803.01, 0.00292417/step, 3.55498 hours remaining, 207.187500 MB of memory in use. ENERGY: 623400 752.7002 2070.6268 1939.3970 115.7412 -206278.1121 17682.5972 0.0000 0.0000 34231.8775 -149485.1722 298.9555 -183717.0497 -149389.5123 298.3777 -206.2056 -173.7340 558270.8016 5.1089 4.9920 PRESSURE: 623600 -166.551 -40.0609 35.4082 -40.0623 -266.912 -171.925 35.4083 -171.927 -278.695 GPRESSURE: 623600 -204.73 -11.3 -30.236 40.0275 -233.596 -174.794 -9.15027 -154.574 -177.542 PRESSAVG: 623600 96.0304 7.77138 -99.0829 7.77137 -25.8156 -0.732785 -99.0829 -0.732757 -73.1507 GPRESSAVG: 623600 95.9672 8.74406 -101.611 6.05604 -26.2035 -1.44705 -95.6477 0.220332 -72.6574 TIMING: 623600 CPU: 1803.58, 0.00288279/step Wall: 1803.58, 0.00288279/step, 3.50451 hours remaining, 207.187500 MB of memory in use. ENERGY: 623600 766.3701 2079.5750 1927.7102 107.5789 -206402.3551 17721.2227 0.0000 0.0000 34276.4355 -149523.4627 299.3446 -183799.8982 -149424.9153 298.1661 -237.3860 -205.2892 558636.7507 -0.9787 -0.9646 PRESSURE: 623800 358.191 -36.3536 -91.5691 -36.3548 -119.283 -93.7276 -91.569 -93.7277 -0.403789 GPRESSURE: 623800 404.829 -134.795 -32.5662 8.48546 -109.246 -18.3114 -117.064 -93.3656 43.308 PRESSAVG: 623800 61.6405 8.96662 -54.3801 8.96664 -11.3954 -15.4268 -54.38 -15.4268 -70.2548 GPRESSAVG: 623800 61.7612 8.28003 -51.4221 11.0736 -11.6306 -13.563 -57.3359 -17.7743 -70.0655 TIMING: 623800 CPU: 1804.16, 0.00289703/step Wall: 1804.16, 0.00289703/step, 3.52166 hours remaining, 207.187500 MB of memory in use. ENERGY: 623800 734.4561 2090.9895 1936.5566 106.1943 -206450.9929 17930.0467 0.0000 0.0000 34194.1890 -149458.5607 298.6264 -183652.7496 -149361.1512 298.6178 79.5016 112.9637 556221.1558 -6.6699 -6.6450 PRESSURE: 624000 -38.051 -67.9601 107.498 -67.9604 -95.5046 148.043 107.498 148.042 134.52 GPRESSURE: 624000 -25.9477 32.8544 78.2203 -89.7825 -55.1604 73.6716 50.4958 72.5677 171.56 PRESSAVG: 624000 -1.70547 23.2458 -64.5746 23.246 0.313971 -8.80629 -64.5746 -8.80621 -0.948546 GPRESSAVG: 624000 -1.23522 22.5928 -66.4028 22.8564 0.335374 -8.42112 -64.0643 -10.266 -1.78853 TIMING: 624000 CPU: 1804.74, 0.00288455/step Wall: 1804.74, 0.00288455/step, 3.50633 hours remaining, 207.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 624000 758.4590 2133.3428 1936.5215 132.2192 -206404.3513 17719.8984 0.0000 0.0000 34296.5480 -149427.3624 299.5203 -183723.9105 -149326.8909 298.9861 0.3216 30.1507 555434.5689 -0.7800 -0.8961 PRESSURE: 624200 129.746 56.0537 282.976 56.0537 77.5042 71.2019 282.976 71.2006 196.105 GPRESSURE: 624200 223.603 127.046 217.986 53.8503 78.5133 110.755 215.235 128.535 188.434 PRESSAVG: 624200 -17.0131 33.083 21.6107 33.0829 -41.4439 51.3114 21.6107 51.3113 14.2156 GPRESSAVG: 624200 -17.311 31.6015 21.5389 35.1485 -41.2713 50.3499 22.9327 50.9586 13.6058 TIMING: 624200 CPU: 1805.32, 0.00289985/step Wall: 1805.32, 0.00289985/step, 3.52476 hours remaining, 207.187500 MB of memory in use. ENERGY: 624200 754.5613 2108.3281 1930.9872 118.8518 -206451.8548 18019.4245 0.0000 0.0000 34093.2203 -149426.4816 297.7446 -183519.7018 -149326.5078 299.1264 134.4518 163.5169 556183.0107 -14.7471 -14.9922 LDB: ============= START OF LOAD BALANCING ============== 1808.7 LDB: ============== END OF LOAD BALANCING =============== 1808.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1808.71 LDB: ============= START OF LOAD BALANCING ============== 1808.99 LDB: Largest compute 4822 load 0.027828 is 23.6% of average load 0.117907 LDB: Average compute 0.001723 is 1.5% of average load 0.117907 LDB: TIME 1809 LOAD: AVG 0.117907 MAX 0.185356 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.441 MB LDB: TIME 1809 LOAD: AVG 0.117907 MAX 0.185356 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: TIME 1809 LOAD: AVG 0.117907 MAX 0.185356 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: ============== END OF LOAD BALANCING =============== 1809 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1809 PRESSURE: 624400 6.65322 -0.176195 -99.7655 -0.177418 90.0912 203.169 -99.7653 203.169 365.203 GPRESSURE: 624400 54.5184 62.0789 -154.025 -27.483 70.0188 124.581 -113.306 243.433 417.043 PRESSAVG: 624400 -61.6783 -37.6689 -40.6888 -37.6688 -3.14498 14.0665 -40.6888 14.0664 74.6025 GPRESSAVG: 624400 -61.848 -36.2025 -40.5263 -37.9571 -2.74608 14.5289 -40.8557 13.0558 74.7053 TIMING: 624400 CPU: 1805.91, 0.00294159/step Wall: 1805.91, 0.0029416/step, 3.57535 hours remaining, 205.671875 MB of memory in use. ENERGY: 624400 706.5334 2078.5296 1921.4023 109.7006 -206439.8603 18065.8131 0.0000 0.0000 34095.7594 -149462.1218 297.7667 -183557.8812 -149366.2276 298.6221 153.9825 180.5266 557905.0866 3.2597 3.3704 PRESSURE: 624600 71.5549 -13.1807 -55.9067 -13.1808 143.788 50.3553 -55.9076 50.3534 56.9426 GPRESSURE: 624600 138.722 -2.66259 -39.4828 -46.7035 124.857 79.1461 -63.0307 46.871 107.278 PRESSAVG: 624600 -84.591 -6.23998 -64.8442 -6.23995 53.8493 -5.57816 -64.8442 -5.57822 13.5262 GPRESSAVG: 624600 -84.4031 -3.76892 -63.9221 -10.2704 53.5869 -6.58619 -64.9316 -3.50188 13.6912 TIMING: 624600 CPU: 1806.49, 0.0028876/step Wall: 1806.49, 0.0028876/step, 3.50956 hours remaining, 205.875000 MB of memory in use. ENERGY: 624600 714.1921 2037.9489 1949.0971 101.3666 -206663.6177 18068.2749 0.0000 0.0000 34302.2625 -149490.4758 299.5702 -183792.7382 -149387.0695 297.7446 90.7620 123.6193 557983.9402 -5.7385 -5.7083 PRESSURE: 624800 -148.482 18.5428 -13.1921 18.5422 -29.8909 118.623 -13.1917 118.623 -63.1099 GPRESSURE: 624800 -89.6369 23.3778 10.0922 2.61509 5.221 82.8606 -27.8695 129.8 -64.5044 PRESSAVG: 624800 13.9831 -10.4231 -5.28687 -10.4231 6.6769 7.25231 -5.28685 7.25243 -14.2993 GPRESSAVG: 624800 13.938 -12.9227 -5.73751 -8.17589 6.90998 7.38499 -4.05348 6.85385 -14.4397 TIMING: 624800 CPU: 1807.06, 0.00288917/step Wall: 1807.06, 0.00288917/step, 3.51131 hours remaining, 205.875000 MB of memory in use. ENERGY: 624800 746.3105 2034.1218 1934.1337 108.5756 -206178.1277 17800.6145 0.0000 0.0000 34183.9044 -149370.4673 298.5365 -183554.3717 -149279.6723 298.5975 -80.4941 -49.6401 557135.6633 2.1202 2.1361 PRESSURE: 625000 -226.329 -24.838 190.903 -24.8378 -226.154 120.141 190.904 120.14 21.6858 GPRESSURE: 625000 -200.252 -90.5621 162.17 37.08 -231.726 56.2172 131.311 91.4803 90.8723 PRESSAVG: 625000 25.1208 3.26853 -50.4282 3.26843 24.9368 23.297 -50.4283 23.297 -86.9758 GPRESSAVG: 625000 25.0154 4.49701 -48.2828 3.51893 24.9196 21.6931 -53.3934 25.5198 -86.9701 TIMING: 625000 CPU: 1807.65, 0.00291571/step Wall: 1807.65, 0.00291571/step, 3.54339 hours remaining, 205.875000 MB of memory in use. ENERGY: 625000 759.7213 2044.7976 1930.1453 108.8557 -206138.2323 17667.1455 0.0000 0.0000 34157.5884 -149469.9785 298.3067 -183627.5669 -149369.2998 299.2164 -143.5991 -113.7020 557608.1458 -12.3061 -12.3451 PRESSURE: 625200 160.571 -187.342 -22.2518 -187.343 -167.558 58.8363 -22.251 58.8365 -114.056 GPRESSURE: 625200 207.474 -226.449 -63.0072 -151.829 -128.157 104.603 90.8881 50.5338 -108.185 PRESSAVG: 625200 45.1032 24.56 38.8088 24.56 -24.0002 -25.6238 38.8089 -25.6237 -11.804 GPRESSAVG: 625200 43.9936 23.2736 37.6072 24.3868 -22.9061 -23.5694 39.0504 -26.2991 -11.6956 TIMING: 625200 CPU: 1808.22, 0.00289012/step Wall: 1808.22, 0.00289012/step, 3.51214 hours remaining, 205.875000 MB of memory in use. ENERGY: 625200 685.7519 2078.4370 1959.2397 119.1915 -206340.2580 17786.7219 0.0000 0.0000 34226.0411 -149484.8750 298.9045 -183710.9161 -149393.8891 298.7037 -40.3477 -9.6228 556939.6556 3.0997 3.1306 PRESSURE: 625400 -27.9164 -3.78532 187.112 -3.78499 -194.6 16.6591 187.112 16.6589 -373.265 GPRESSURE: 625400 18.4572 -42.411 172.787 -63.5648 -138.832 -13.1409 107.039 -48.0922 -378.741 PRESSAVG: 625400 50.7447 6.21694 39.0542 6.21688 -23.5112 53.8983 39.0541 53.8983 -50.1119 GPRESSAVG: 625400 52.5091 6.05609 39.2929 6.44407 -24.7919 54.3669 38.4726 54.0084 -50.9878 TIMING: 625400 CPU: 1808.8, 0.0028835/step Wall: 1808.8, 0.0028835/step, 3.50394 hours remaining, 205.875000 MB of memory in use. ENERGY: 625400 743.3430 2088.5931 1953.3657 108.9339 -205940.1256 17474.0282 0.0000 0.0000 34158.3174 -149413.5443 298.3131 -183571.8618 -149315.2874 298.1661 -198.5937 -166.3721 558208.9305 -7.6261 -7.7569 PRESSURE: 625600 -146.156 -15.2876 64.1582 -15.2884 -122.407 -213.836 64.1583 -213.835 -45.7515 GPRESSURE: 625600 -91.9441 87.3851 -88.9249 -97.2581 -111.263 -222.5 28.1638 -129.334 -20.4398 PRESSAVG: 625600 43.3952 10.5061 28.0734 10.5059 10.0458 8.70115 28.0732 8.70128 -39.7735 GPRESSAVG: 625600 43.2567 12.0009 26.7611 9.73077 9.65256 5.4212 28.7382 9.94098 -39.4697 TIMING: 625600 CPU: 1809.38, 0.00289508/step Wall: 1809.38, 0.00289508/step, 3.51785 hours remaining, 205.875000 MB of memory in use. ENERGY: 625600 748.9199 2087.6698 1947.2691 113.1901 -205867.7757 17707.9082 0.0000 0.0000 33871.4086 -149391.4100 295.8074 -183262.8186 -149290.4424 297.8920 -104.7716 -74.5491 558972.9059 4.5558 4.4799 PRESSURE: 625800 -10.1608 -1.85258 -116.468 -1.85301 -62.131 -63.331 -116.467 -63.3312 -85.3274 GPRESSURE: 625800 -35.9696 -67.8151 -134.008 39.0922 -14.1279 -76.5278 -142.165 -25.5575 -12.927 PRESSAVG: 625800 44.5496 -31.5686 -70.6132 -31.5686 -32.5062 7.91462 -70.6133 7.9147 -9.3035 GPRESSAVG: 625800 43.6805 -32.2802 -70.1074 -30.577 -31.7149 11.163 -70.665 4.15841 -9.33444 TIMING: 625800 CPU: 1809.96, 0.00292019/step Wall: 1809.96, 0.00292019/step, 3.5482 hours remaining, 205.875000 MB of memory in use. ENERGY: 625800 748.2738 2055.0933 1906.9443 98.7339 -205883.4550 17605.7224 0.0000 0.0000 34172.8311 -149295.8562 298.4398 -183468.6873 -149208.2118 298.8107 -52.5397 -21.0082 557587.6131 0.9133 0.8771 PRESSURE: 626000 81.5933 13.5673 -12.8709 13.567 58.5919 147.765 -12.8701 147.766 330.82 GPRESSURE: 626000 114.036 -16.3749 -4.38343 23.4714 108.954 157.556 -23.366 284.883 349.994 PRESSAVG: 626000 54.1119 -5.46932 -47.8305 -5.46941 -0.648122 36.1427 -47.8304 36.1425 2.40497 GPRESSAVG: 626000 53.3056 -6.74345 -48.1973 -4.94884 -1.2957 37.4622 -46.4321 36.932 3.26714 TIMING: 626000 CPU: 1810.55, 0.00293946/step Wall: 1810.55, 0.00293946/step, 3.57145 hours remaining, 205.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 626000 712.8510 2034.8370 1949.5393 126.6770 -206475.6683 18082.4107 0.0000 0.0000 34580.2366 -148989.1167 301.9978 -183569.3533 -148889.9729 300.1563 157.0018 190.9945 558036.4573 18.6229 18.4257 PRESSURE: 626200 -136.258 10.228 -34.6624 10.2285 -118.693 -231.597 -34.6615 -231.596 -202.372 GPRESSURE: 626200 -118.841 -14.5021 -96.8964 51.5834 -42.2148 -233.155 -55.6351 -226.118 -193.588 PRESSAVG: 626200 81.217 55.6987 5.6227 55.6987 -78.7791 -19.809 5.62271 -19.8091 -45.9508 GPRESSAVG: 626200 81.6075 56.8465 6.17838 52.9108 -78.1196 -20.7391 5.97218 -20.2238 -46.6286 TIMING: 626200 CPU: 1811.14, 0.00291508/step Wall: 1811.14, 0.00291508/step, 3.54166 hours remaining, 205.875000 MB of memory in use. ENERGY: 626200 721.0505 2117.1761 1937.1425 108.7102 -205844.5244 17671.4259 0.0000 0.0000 34292.7831 -148996.2363 299.4874 -183289.0194 -148901.6493 299.6711 -152.4408 -118.2146 559844.9092 -14.5043 -14.3802 PRESSURE: 626400 -28.0399 -4.26623 -73.5333 -4.26627 -89.8563 134.411 -73.533 134.412 -148.448 GPRESSURE: 626400 39.763 21.7596 7.63171 -92.129 -70.5191 119.291 -49.8735 168.788 -124.614 PRESSAVG: 626400 -24.506 37.9773 -26.0163 37.9773 -9.87368 69.9062 -26.0163 69.9062 14.9511 GPRESSAVG: 626400 -23.0202 35.7124 -26.5202 41.4983 -9.06059 67.8389 -26.4675 70.4668 12.8691 TIMING: 626400 CPU: 1811.72, 0.0029204/step Wall: 1811.72, 0.0029204/step, 3.54796 hours remaining, 205.875000 MB of memory in use. ENERGY: 626400 736.0826 2067.9497 1926.8872 115.2017 -206013.1672 17737.8373 0.0000 0.0000 34480.3621 -148948.8465 301.1256 -183429.2086 -148856.7688 299.7644 -88.7812 -51.7901 558692.9696 -6.4762 -6.4039 PRESSURE: 626600 22.7687 -7.96173 81.7285 -7.96125 -48.3784 -13.6512 81.7286 -13.6518 89.7644 GPRESSURE: 626600 77.8748 -62.222 95.7405 75.4743 4.54847 -90.9142 128.525 30.4548 90.1864 PRESSAVG: 626600 -3.5907 -50.3564 -23.3234 -50.3563 14.045 38.7298 -23.3234 38.7298 17.8023 GPRESSAVG: 626600 -4.54615 -47.8391 -22.3809 -52.6273 13.4881 39.8742 -24.6525 38.2166 19.1806 TIMING: 626600 CPU: 1812.3, 0.00290302/step Wall: 1812.3, 0.00290302/step, 3.52669 hours remaining, 205.875000 MB of memory in use. ENERGY: 626600 732.3358 2082.9823 1897.8719 124.1394 -206037.6490 17718.1038 0.0000 0.0000 34506.3316 -148975.8842 301.3524 -183482.2158 -148876.1979 300.7124 21.3849 57.5366 556999.2069 9.4189 9.3742 PRESSURE: 626800 -83.4172 183.369 -227.983 183.369 -143.088 -20.3945 -227.982 -20.3951 21.9641 GPRESSURE: 626800 -9.15655 192.558 -292.982 210.308 -116.091 10.4321 -158.517 -18.1034 28.0009 PRESSAVG: 626800 -48.2367 -75.923 -41.6549 -75.923 11.9751 -10.0606 -41.655 -10.0606 39.8852 GPRESSAVG: 626800 -48.7595 -77.6318 -42.4614 -75.1991 11.6697 -7.71793 -40.8512 -10.5746 41.0841 TIMING: 626800 CPU: 1812.88, 0.00290414/step Wall: 1812.88, 0.00290414/step, 3.52788 hours remaining, 205.875000 MB of memory in use. ENERGY: 626800 745.2866 2082.7932 1930.6991 116.8840 -206031.1419 17709.7956 0.0000 0.0000 34482.7571 -148962.9264 301.1465 -183445.6835 -148869.4886 300.6078 -68.1805 -32.4154 557049.5599 1.2079 1.3314 PRESSURE: 627000 -167.898 144.821 83.8779 144.819 189.511 -25.3327 83.8779 -25.3329 3.65497 GPRESSURE: 627000 -177.544 115.083 53.4497 115.138 223.889 -49.1724 84.7294 -8.683 65.7048 PRESSAVG: 627000 -30.3716 25.5367 -50.1925 25.5366 -49.5564 -46.3455 -50.1925 -46.3456 64.4704 GPRESSAVG: 627000 -29.1643 26.423 -49.8956 23.8924 -50.8336 -48.9159 -52.7258 -46.4269 64.2409 TIMING: 627000 CPU: 1813.46, 0.00292013/step Wall: 1813.46, 0.00292013/step, 3.54715 hours remaining, 205.875000 MB of memory in use. ENERGY: 627000 736.8030 2117.5463 1914.4659 107.6951 -206172.0420 17798.2507 0.0000 0.0000 34462.4328 -149034.8482 300.9690 -183497.2810 -148940.0594 300.1121 8.4226 37.3502 556843.6610 -5.1525 -5.2524 PRESSURE: 627200 142.477 -117.267 -117.363 -117.266 111.798 -52.946 -117.361 -52.9461 120.926 GPRESSURE: 627200 123.109 -125.679 -77.3999 -117.012 201.145 -71.1977 -122.881 -44.1859 146.254 PRESSAVG: 627200 31.0913 9.52728 -6.61197 9.52714 42.2395 -37.9234 -6.61194 -37.9233 -52.0332 GPRESSAVG: 627200 31.6324 10.4651 -5.33319 10.7005 43.1524 -38.7241 -4.53725 -37.2195 -52.7514 TIMING: 627200 CPU: 1814.05, 0.0029064/step Wall: 1814.05, 0.0029064/step, 3.53031 hours remaining, 205.875000 MB of memory in use. ENERGY: 627200 747.9414 2080.7931 1924.1725 110.3330 -206227.3793 18056.0005 0.0000 0.0000 34230.5771 -149077.5616 298.9441 -183308.1387 -148982.7463 299.4436 125.0669 156.8359 558054.2496 7.0992 7.3444 PRESSURE: 627400 253.443 52.4211 -22.265 52.4216 294.25 -285.198 -22.2634 -285.197 330.581 GPRESSURE: 627400 334.801 53.3518 -10.6921 44.7051 282.419 -224.694 58.0307 -217.583 362.412 PRESSAVG: 627400 8.80555 26.0101 -10.9505 26.0102 -47.1848 -6.16824 -10.9506 -6.16839 64.9918 GPRESSAVG: 627400 9.58452 24.8481 -11.8155 26.4203 -48.2829 -3.9482 -11.5485 -6.5112 64.7726 TIMING: 627400 CPU: 1814.62, 0.00289224/step Wall: 1814.62, 0.00289224/step, 3.51295 hours remaining, 205.875000 MB of memory in use. ENERGY: 627400 727.2848 2077.5871 1920.0872 100.6064 -206116.9651 18037.3367 0.0000 0.0000 34189.1000 -149064.9629 298.5819 -183254.0629 -148970.7390 299.4058 292.7580 326.5443 557191.3804 8.8708 8.6914 PRESSURE: 627600 -46.9804 84.7573 8.67605 84.7575 262.791 177.061 8.67558 177.06 -41.8796 GPRESSURE: 627600 -52.4016 35.5265 65.824 115.228 325.738 146.963 -68.3677 41.7594 11.4465 PRESSAVG: 627600 -42.8118 -25.6641 33.5026 -25.6641 9.60925 -7.86651 33.5025 -7.86669 23.723 GPRESSAVG: 627600 -44.7591 -24.8222 32.7031 -27.0061 10.7142 -9.47156 33.7355 -9.36443 24.4309 TIMING: 627600 CPU: 1815.2, 0.0028927/step Wall: 1815.2, 0.0028927/step, 3.51334 hours remaining, 205.875000 MB of memory in use. ENERGY: 627600 742.1686 2041.6247 1932.8471 117.6887 -206049.3075 17877.3309 0.0000 0.0000 34245.6135 -149092.0340 299.0755 -183337.6475 -148991.0656 300.1527 57.9771 94.9276 557895.4662 -3.1599 -3.2047 PRESSURE: 627800 42.9479 -85.7868 59.2699 -85.7883 -98.8757 21.83 59.2692 21.8299 88.4872 GPRESSURE: 627800 67.9289 -50.6077 120.324 -95.4363 -73.2735 106.317 27.8983 34.3039 131.932 PRESSAVG: 627800 40.1475 -53.6823 -56.0151 -53.6824 -4.33304 8.05613 -56.0151 8.05613 -52.5653 GPRESSAVG: 627800 41.4561 -54.6158 -55.591 -52.9235 -4.82654 9.87407 -56.0528 9.07861 -53.4252 TIMING: 627800 CPU: 1815.78, 0.00290381/step Wall: 1815.78, 0.00290381/step, 3.52667 hours remaining, 205.875000 MB of memory in use. ENERGY: 627800 770.7465 2132.0611 1951.1296 118.1442 -206134.8958 17859.8619 0.0000 0.0000 34403.7850 -148899.1675 300.4568 -183302.9524 -148804.4902 299.9965 10.8531 42.1956 558101.7817 -5.5836 -5.5986 PRESSURE: 628000 38.7765 181.98 55.7656 181.979 -85.1117 68.0359 55.765 68.0381 -91.8041 GPRESSURE: 628000 80.7932 166.946 90.5226 180.207 -73.3666 118.501 93.8096 88.6283 -52.9752 PRESSAVG: 628000 -41.649 -3.53081 59.4937 -3.53081 0.218347 8.96675 59.4937 8.9669 30.7631 GPRESSAVG: 628000 -41.8194 -1.73044 59.2723 -4.10144 0.364195 7.80731 59.605 7.97564 30.9313 TIMING: 628000 CPU: 1816.37, 0.00292805/step Wall: 1816.37, 0.00292805/step, 3.55596 hours remaining, 205.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 628000 745.9450 2072.8047 1922.6438 125.3388 -205753.5312 17595.3538 0.0000 0.0000 34479.0538 -148812.3914 301.1142 -183291.4452 -148722.0718 300.5277 -46.0464 -15.1829 557982.0026 -3.5558 -3.5080 PRESSURE: 628200 107.353 -8.27114 -10.1345 -8.27199 -61.3624 -104.156 -10.1339 -104.155 211.915 GPRESSURE: 628200 103.982 -44.5173 -75.8107 22.9236 15.2569 -118.589 -43.3198 -159.603 239.536 PRESSAVG: 628200 -27.7782 24.5203 55.3612 24.5202 -21.8318 3.73597 55.3612 3.73588 5.27134 GPRESSAVG: 628200 -29.0563 22.487 55.1193 24.3679 -22.19 3.51178 56.6535 6.4967 7.17133 TIMING: 628200 CPU: 1816.96, 0.00293576/step Wall: 1816.96, 0.00293576/step, 3.56516 hours remaining, 205.875000 MB of memory in use. ENERGY: 628200 730.3395 2132.2437 1910.4456 114.0453 -205890.7699 17825.1907 0.0000 0.0000 34322.8568 -148855.6483 299.7500 -183178.5051 -148758.8243 300.8844 85.9682 119.5914 557585.9928 -14.7796 -14.6916 LDB: ============= START OF LOAD BALANCING ============== 1820.34 LDB: ============== END OF LOAD BALANCING =============== 1820.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1820.34 LDB: ============= START OF LOAD BALANCING ============== 1820.63 LDB: Largest compute 4822 load 0.027897 is 23.7% of average load 0.117833 LDB: Average compute 0.001718 is 1.5% of average load 0.117833 LDB: TIME 1820.64 LOAD: AVG 0.117833 MAX 0.182821 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.672 MB LDB: TIME 1820.64 LOAD: AVG 0.117833 MAX 0.182821 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.672 MB LDB: TIME 1820.64 LOAD: AVG 0.117833 MAX 0.182821 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.672 MB LDB: ============== END OF LOAD BALANCING =============== 1820.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1820.64 PRESSURE: 628400 139.325 -43.459 76.6654 -43.4599 56.7752 -9.28232 76.6659 -9.28443 -90.7429 GPRESSURE: 628400 193.646 -28.2871 93.4789 -42.7968 123.624 20.8327 95.2975 118.364 -110.139 PRESSAVG: 628400 13.3745 -0.877629 28.6115 -0.877502 -2.67936 62.0383 28.6114 62.0381 -46.8712 GPRESSAVG: 628400 13.8398 0.621189 29.469 -0.0552071 -1.0635 62.9584 29.2166 60.5137 -48.6307 TIMING: 628400 CPU: 1817.55, 0.00295034/step Wall: 1817.55, 0.00295034/step, 3.5827 hours remaining, 206.960938 MB of memory in use. ENERGY: 628400 776.0123 2112.1777 1939.3539 109.1963 -206017.6529 17860.6641 0.0000 0.0000 34199.3187 -149020.9299 298.6712 -183220.2486 -148930.1602 299.9355 35.1192 69.0438 558035.2295 -12.0587 -11.9515 PRESSURE: 628600 68.7779 -147.469 99.9334 -147.47 -141.562 -63.1001 99.9329 -63.0998 157.988 GPRESSURE: 628600 69.137 -50.4314 70.8252 -237.27 -79.337 -171.837 172.581 18.4682 174.668 PRESSAVG: 628600 -8.3289 -62.9619 -63.4373 -62.9619 -0.661595 49.3501 -63.4373 49.35 28.2314 GPRESSAVG: 628600 -8.97646 -63.5042 -64.5304 -63.4979 -0.630892 47.9069 -64.7541 50.6184 29.1661 TIMING: 628600 CPU: 1818.13, 0.00291613/step Wall: 1818.13, 0.00291613/step, 3.54099 hours remaining, 206.960938 MB of memory in use. ENERGY: 628600 778.4944 2143.3535 1919.9268 102.0313 -206010.1962 17837.6842 0.0000 0.0000 34269.5192 -148959.1869 299.2842 -183228.7060 -148865.3621 299.9573 28.4012 54.8227 559017.8810 6.4136 6.5196 PRESSURE: 628800 -306.038 84.362 46.3697 84.3631 -247.948 56.4554 46.3701 56.4568 -294.806 GPRESSURE: 628800 -217.072 13.7418 66.6111 21.6949 -240.335 72.454 7.52103 10.1709 -288.672 PRESSAVG: 628800 -38.0697 -22.3041 49.4803 -22.3041 70.9261 59.7337 49.4801 59.7337 19.7386 GPRESSAVG: 628800 -37.4056 -23.128 49.0795 -20.0464 70.4542 59.3329 50.572 58.6486 19.4378 TIMING: 628800 CPU: 1818.72, 0.00292914/step Wall: 1818.72, 0.00292914/step, 3.55663 hours remaining, 206.960938 MB of memory in use. ENERGY: 628800 763.7548 2135.6963 1945.4192 117.2455 -205784.8951 17532.5188 0.0000 0.0000 34276.4414 -149013.8192 299.3447 -183290.2606 -148922.7576 300.7670 -282.9306 -248.6933 559674.5502 17.5317 17.4955 PRESSURE: 629000 -154.97 59.0983 -114.518 59.0967 126.026 63.9282 -114.519 63.9283 74.0111 GPRESSURE: 629000 -90.5163 -15.6126 -78.3748 122.501 181.517 78.1909 -51.7135 -14.656 65.832 PRESSAVG: 629000 -51.5203 28.389 -14.1065 28.3889 -34.6574 -11.8025 -14.1064 -11.8024 56.8551 GPRESSAVG: 629000 -51.17 28.015 -14.2079 27.3911 -33.6697 -8.91248 -16.9317 -12.7447 56.4225 TIMING: 629000 CPU: 1819.3, 0.00291771/step Wall: 1819.3, 0.00291771/step, 3.54259 hours remaining, 206.960938 MB of memory in use. ENERGY: 629000 733.6685 2066.3246 1924.8684 111.4542 -206282.1126 17849.5764 0.0000 0.0000 34594.5736 -149001.6469 302.1230 -183596.2205 -148908.4005 300.5683 15.0223 52.2777 557553.0376 -9.7742 -9.4724 PRESSURE: 629200 -502.906 -241.012 -18.5502 -241.01 -106.734 30.3921 -18.5509 30.392 157.065 GPRESSURE: 629200 -447.185 -211.142 -52.4714 -249.333 -84.5403 -14.0984 97.7745 162.067 177.338 PRESSAVG: 629200 -70.7686 77.6586 -57.0829 77.6586 53.316 60.7473 -57.0828 60.7473 42.083 GPRESSAVG: 629200 -72.052 78.625 -54.7594 75.4889 52.6703 59.3298 -54.8293 60.9133 43.0793 TIMING: 629200 CPU: 1819.88, 0.00289302/step Wall: 1819.88, 0.00289302/step, 3.51245 hours remaining, 206.960938 MB of memory in use. ENERGY: 629200 730.2670 2052.6643 1942.3020 117.3183 -205916.1096 17600.9025 0.0000 0.0000 34275.1557 -149197.4998 299.3335 -183472.6555 -149108.7496 300.0946 -150.8585 -118.1291 558274.0723 8.2102 7.8992 PRESSURE: 629400 -202.738 -10.1823 -19.2208 -10.1835 -248.484 -104.948 -19.2202 -104.946 233.594 GPRESSURE: 629400 -114.045 88.1456 -53.1416 66.2437 -231.162 5.75833 -28.297 -138.602 225.76 PRESSAVG: 629400 -81.3065 -8.35712 -35.1607 -8.35709 20.519 25.8409 -35.1608 25.8408 50.4757 GPRESSAVG: 629400 -80.9722 -7.72182 -35.7318 -6.59058 20.5915 26.6625 -34.926 24.5957 50.2582 TIMING: 629400 CPU: 1820.46, 0.00289662/step Wall: 1820.46, 0.00289662/step, 3.51666 hours remaining, 206.960938 MB of memory in use. ENERGY: 629400 754.3253 2038.0764 1937.7858 102.0186 -205978.1809 17754.9370 0.0000 0.0000 34196.5154 -149194.5224 298.6467 -183391.0378 -149090.9354 299.0993 -72.5428 -39.8154 559478.6276 -3.4372 -3.3741 PRESSURE: 629600 119.989 37.9048 64.0627 37.9058 -101.898 -70.9667 64.0623 -70.9667 94.2737 GPRESSURE: 629600 128.179 -14.6239 27.6303 35.1849 -61.3151 -79.9039 4.23715 -84.1606 137.011 PRESSAVG: 629600 -54.4293 49.4946 -55.2712 49.4946 8.75758 -22.1567 -55.2712 -22.1567 45.6055 GPRESSAVG: 629600 -53.5114 49.2895 -54.6248 48.4519 7.71554 -23.3111 -55.8548 -20.353 46.2247 TIMING: 629600 CPU: 1821.04, 0.00289003/step Wall: 1821.04, 0.00289003/step, 3.50849 hours remaining, 206.960938 MB of memory in use. ENERGY: 629600 736.0100 2050.2137 1981.8800 117.3840 -206170.2115 17851.4382 0.0000 0.0000 34315.0986 -149118.1871 299.6823 -183433.2857 -149017.5612 299.3558 37.4549 67.9583 558115.8410 -0.0221 0.1430 PRESSURE: 629800 -314.74 -22.16 -170.204 -22.1604 -280.021 50.926 -170.202 50.926 8.73406 GPRESSURE: 629800 -239.105 -40.2527 -34.7486 -84.7561 -317.743 -28.4472 -183.719 73.1085 70.5999 PRESSAVG: 629800 31.4134 -24.8463 27.5178 -24.8463 -44.1424 13.5905 27.5178 13.5906 51.613 GPRESSAVG: 629800 30.4461 -25.4502 27.5402 -21.9091 -42.7592 12.9951 30.1023 13.7503 51.3583 TIMING: 629800 CPU: 1821.62, 0.00289973/step Wall: 1821.62, 0.00289973/step, 3.52011 hours remaining, 206.960938 MB of memory in use. ENERGY: 629800 774.9440 2115.0176 1970.3553 115.1827 -206022.0810 17574.7022 0.0000 0.0000 34099.2237 -149372.6556 297.7970 -183471.8793 -149277.6577 299.3948 -195.3422 -162.0827 558470.0246 12.9613 13.0151 PRESSURE: 630000 -276.643 37.4604 -93.0872 37.4617 -80.8018 169.159 -93.0883 169.159 198.801 GPRESSURE: 630000 -237.098 61.9347 -91.1277 4.45251 -41.7055 185.971 -159.921 78.9333 209.666 PRESSAVG: 630000 -49.3446 -30.7003 9.47315 -30.7003 -0.669012 -11.3924 9.47321 -11.3924 8.82988 GPRESSAVG: 630000 -49.1318 -30.8862 10.6926 -33.1056 -0.809216 -9.41071 5.80266 -13.5418 8.78925 TIMING: 630000 CPU: 1822.2, 0.00290485/step Wall: 1822.2, 0.00290485/step, 3.52617 hours remaining, 206.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 630000 758.2544 2101.1531 1933.2910 116.9364 -206233.9912 17646.2925 0.0000 0.0000 34115.1581 -149562.9056 297.9362 -183678.0637 -149472.6991 298.7252 -52.8815 -23.0459 557495.2505 -13.7279 -13.7173 PRESSURE: 630200 133.137 14.4435 -78.5619 14.4445 165.65 -37.6426 -78.5616 -37.6441 -21.6615 GPRESSURE: 630200 160.627 -23.2301 -83.5656 71.2236 225.962 -17.6834 -70.284 -2.60745 12.1011 PRESSAVG: 630200 -9.40564 -6.19265 -29.6361 -6.19269 -24.9366 -6.49624 -29.636 -6.49628 8.64788 GPRESSAVG: 630200 -9.60821 -5.482 -30.8368 -7.48111 -26.1059 -6.45212 -27.5737 -5.98509 9.80061 TIMING: 630200 CPU: 1822.78, 0.00291926/step Wall: 1822.78, 0.00291926/step, 3.5435 hours remaining, 206.960938 MB of memory in use. ENERGY: 630200 781.4953 2089.9988 1943.8118 116.8090 -206873.6045 18246.3489 0.0000 0.0000 34064.1479 -149630.9928 297.4907 -183695.1407 -149543.7340 298.1997 92.3751 132.8966 557973.7446 -8.5648 -8.6378 PRESSURE: 630400 44.2726 -174.791 38.1831 -174.79 130.115 141.623 38.183 141.623 81.0982 GPRESSURE: 630400 38.2806 -76.9869 113.879 -157.959 196.52 170.905 -3.7785 176.539 113.524 PRESSAVG: 630400 54.5832 10.7488 29.454 10.7488 19.2357 17.7074 29.4539 17.7075 -37.5013 GPRESSAVG: 630400 54.9663 8.69769 30.7587 12.4442 20.369 17.8053 28.1448 17.1226 -39.1076 TIMING: 630400 CPU: 1823.36, 0.00291926/step Wall: 1823.36, 0.00291926/step, 3.54333 hours remaining, 206.960938 MB of memory in use. ENERGY: 630400 733.0890 2132.9544 1932.6178 124.7637 -206569.7147 18059.8103 0.0000 0.0000 33959.5185 -149626.9611 296.5769 -183586.4795 -149534.3798 298.2871 85.1620 116.1081 557066.6170 12.1058 12.0759 PRESSURE: 630600 -76.0358 -10.1925 -174.583 -10.1922 -150.609 132.284 -174.584 132.285 95.6903 GPRESSURE: 630600 -54.7792 28.0774 -158.966 -12.573 -73.0993 94.2614 -230.339 40.3242 93.899 PRESSAVG: 630600 1.19874 23.3944 -40.4204 23.3945 -3.5481 66.7892 -40.4205 66.7893 -22.0704 GPRESSAVG: 630600 -0.405614 24.7177 -43.4996 22.0232 -3.16593 66.2211 -38.8273 67.7609 -20.934 TIMING: 630600 CPU: 1823.94, 0.00288802/step Wall: 1823.94, 0.00288802/step, 3.50526 hours remaining, 206.960938 MB of memory in use. ENERGY: 630600 730.5965 2056.6031 1913.9469 115.0714 -206120.9780 17895.9011 0.0000 0.0000 33871.4826 -149537.3764 295.8081 -183408.8590 -149440.5830 297.8322 -43.6515 -11.3265 559034.3004 -8.1399 -8.1685 PRESSURE: 630800 -171.773 -106.08 -26.3017 -106.079 -7.64022 -92.6765 -26.3014 -92.6746 -224.571 GPRESSURE: 630800 -193.897 -116.426 -20.5715 -129.931 -15.8668 -18.9405 -23.2666 -51.3148 -108.211 PRESSAVG: 630800 -5.01595 -1.38312 -52.9483 -1.38325 -5.2776 -16.6445 -52.9483 -16.6443 33.4441 GPRESSAVG: 630800 -5.08891 -0.527131 -49.3585 -0.956511 -5.44439 -17.0643 -55.5161 -18.3592 33.9168 TIMING: 630800 CPU: 1824.52, 0.00290061/step Wall: 1824.52, 0.00290061/step, 3.52037 hours remaining, 206.960938 MB of memory in use. ENERGY: 630800 751.5339 2035.3233 1970.7169 110.5707 -206260.4644 17617.8266 0.0000 0.0000 34187.0341 -149587.4590 298.5639 -183774.4930 -149498.8633 298.4377 -134.6615 -105.9917 557792.3591 7.7168 7.7945 PRESSURE: 631000 -44.7607 46.8457 19.8276 46.8456 296.823 0.516901 19.8265 0.515669 161.095 GPRESSURE: 631000 14.2257 27.2906 17.1575 -34.1377 274.992 -58.7238 -89.1635 86.5842 228.434 PRESSAVG: 631000 -44.2101 39.4547 27.355 39.4547 -35.2623 9.24236 27.3551 9.24239 67.6228 GPRESSAVG: 631000 -42.2478 38.8788 27.4923 38.4736 -35.5926 9.86024 26.432 10.0106 66.5126 TIMING: 631000 CPU: 1825.1, 0.00289403/step Wall: 1825.1, 0.00289403/step, 3.51223 hours remaining, 206.960938 MB of memory in use. ENERGY: 631000 729.3861 2116.0880 1949.5059 122.0964 -206691.1478 18101.9227 0.0000 0.0000 34142.7652 -149529.3836 298.1773 -183672.1488 -149436.7095 298.0315 137.7192 172.5506 555990.3035 -3.9499 -3.7760 PRESSURE: 631200 -148.492 59.3482 91.7326 59.3478 -161.151 -87.9276 91.7344 -87.9295 -133.225 GPRESSURE: 631200 -163.346 67.9716 95.5454 -46.1203 -101.334 -88.5992 27.2318 26.4275 -89.3605 PRESSAVG: 631200 7.44682 33.4071 -51.5071 33.4071 -61.5932 -19.658 -51.5072 -19.658 39.0171 GPRESSAVG: 631200 8.12905 35.0265 -54.606 33.4756 -63.1904 -21.9775 -48.4227 -19.0562 39.8756 TIMING: 631200 CPU: 1825.68, 0.00290231/step Wall: 1825.68, 0.00290231/step, 3.52212 hours remaining, 206.960938 MB of memory in use. ENERGY: 631200 713.4092 2073.9770 1966.4142 122.1740 -206327.4331 17706.2296 0.0000 0.0000 34380.7606 -149364.4684 300.2557 -183745.2290 -149272.0593 298.3069 -147.6226 -118.0135 558390.6164 -5.0431 -5.0619 PRESSURE: 631400 -206.147 -19.4986 -43.7434 -19.4991 -8.57802 -195.043 -43.7434 -195.042 48.7322 GPRESSURE: 631400 -204.546 -38.7491 25.5687 -34.0566 26.3056 -128.895 -68.5925 -224.216 95.6536 PRESSAVG: 631400 -18.0471 30.9586 19.0631 30.9585 7.41253 -42.4471 19.0631 -42.4471 3.8494 GPRESSAVG: 631400 -18.8626 29.9945 20.4775 32.6547 8.32553 -38.6485 17.7879 -41.4344 3.19833 TIMING: 631400 CPU: 1826.26, 0.00289865/step Wall: 1826.26, 0.00289865/step, 3.51751 hours remaining, 206.960938 MB of memory in use. ENERGY: 631400 712.8087 2114.1389 1974.5600 116.1708 -206251.2669 17860.1517 0.0000 0.0000 34110.9589 -149362.4779 297.8995 -183473.4368 -149261.6843 299.2041 -55.3311 -27.5289 558479.6567 -2.2617 -2.4463 PRESSURE: 631600 -48.4124 115.915 -25.4454 115.914 144.133 -0.0711353 -25.4461 -0.0727525 -189.799 GPRESSURE: 631600 17.6761 100.056 31.9732 44.8288 210.614 -2.07612 15.582 -50.8538 -232.115 PRESSAVG: 631600 -41.5998 16.3819 33.7856 16.3819 8.18724 -73.6365 33.7857 -73.6365 22.9314 GPRESSAVG: 631600 -41.2037 15.9266 34.1034 15.1297 7.79245 -74.6784 33.0113 -74.8219 22.7124 TIMING: 631600 CPU: 1826.85, 0.00293563/step Wall: 1826.85, 0.00293563/step, 3.56223 hours remaining, 206.960938 MB of memory in use. ENERGY: 631600 738.3251 2010.3924 1949.4765 115.1026 -206491.0584 17856.1693 0.0000 0.0000 34437.8860 -149383.7065 300.7546 -183821.5925 -149288.0380 298.7443 -31.3595 -1.2750 557352.9364 -3.4937 -3.5663 PRESSURE: 631800 -44.2094 180.789 -294.395 180.791 -208.015 32.0445 -294.394 32.0444 -55.7933 GPRESSURE: 631800 13.2287 221.406 -316.59 148.264 -169.543 31.6976 -218.069 59.0471 -45.0828 PRESSAVG: 631800 -11.6789 80.4455 -0.821148 80.4456 12.6415 -68.1283 -0.821067 -68.1284 -12.5411 GPRESSAVG: 631800 -12.4359 79.3194 0.251819 82.1591 13.7605 -69.2899 -1.07303 -66.173 -12.4478 TIMING: 631800 CPU: 1827.43, 0.00292657/step Wall: 1827.43, 0.00292657/step, 3.55107 hours remaining, 206.960938 MB of memory in use. ENERGY: 631800 786.8955 2073.0705 1936.1225 106.7962 -206032.7254 17670.7896 0.0000 0.0000 34119.8938 -149339.1574 297.9775 -183459.0512 -149247.9530 298.9036 -102.6726 -67.1324 556494.1585 -3.8595 -3.7077 PRESSURE: 632000 -95.0583 118.32 -154.793 118.319 47.8714 -70.1922 -154.791 -70.192 61.2191 GPRESSURE: 632000 -47.7943 89.3126 -179.863 85.165 73.9556 -67.7779 -124.952 -51.1951 77.9342 PRESSAVG: 632000 15.0297 62.0796 2.663 62.0797 -27.9846 -9.18276 2.66291 -9.18262 24.6084 GPRESSAVG: 632000 15.5776 63.2491 1.64651 59.6077 -29.4925 -8.66947 2.99042 -10.1262 25.393 TIMING: 632000 CPU: 1828.02, 0.00291143/step Wall: 1828.02, 0.00291143/step, 3.53254 hours remaining, 206.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 632000 784.3983 2040.5322 1950.1452 116.3080 -206317.5046 17845.9810 0.0000 0.0000 34131.7213 -149448.4187 298.0808 -183580.1399 -149348.0955 298.8774 4.6774 34.6985 555209.3886 3.8845 3.8260 PRESSURE: 632200 87.3488 134.775 175.533 134.773 27.9547 67.2467 175.533 67.2479 183.323 GPRESSURE: 632200 125.047 80.4465 140.216 80.4188 23.6792 6.56874 225.736 87.2318 244.839 PRESSAVG: 632200 -6.34776 49.1208 -59.3497 49.1208 -5.17299 2.21259 -59.3496 2.21262 42.8861 GPRESSAVG: 632200 -5.35285 46.9998 -58.3238 52.2994 -6.41197 2.16891 -60.6804 1.78926 43.0025 TIMING: 632200 CPU: 1828.6, 0.00293757/step Wall: 1828.6, 0.00293757/step, 3.56409 hours remaining, 206.960938 MB of memory in use. ENERGY: 632200 730.8032 2055.8899 1934.7023 125.0999 -206533.9293 17896.9954 0.0000 0.0000 34320.5631 -149469.8755 299.7300 -183790.4386 -149376.5936 298.3360 99.5423 131.1884 554446.6977 10.4551 10.4126 LDB: ============= START OF LOAD BALANCING ============== 1831.99 LDB: ============== END OF LOAD BALANCING =============== 1831.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1832 LDB: ============= START OF LOAD BALANCING ============== 1832.29 LDB: Largest compute 4822 load 0.028326 is 24.0% of average load 0.117780 LDB: Average compute 0.001722 is 1.5% of average load 0.117780 LDB: TIME 1832.3 LOAD: AVG 0.11778 MAX 0.185398 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.863 MB LDB: TIME 1832.3 LOAD: AVG 0.11778 MAX 0.185398 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 1832.3 LOAD: AVG 0.11778 MAX 0.185398 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1832.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1832.3 PRESSURE: 632400 -245.023 2.38786 -159.852 2.38825 -161.989 213.197 -159.85 213.198 -311.271 GPRESSURE: 632400 -250.14 -14.0953 -113.232 9.50904 -171.301 134.577 -192.743 241.046 -211.888 PRESSAVG: 632400 -17.0611 15.3603 -25.3539 15.3603 11.8522 39.1038 -25.354 39.1038 51.6306 GPRESSAVG: 632400 -17.7142 15.963 -25.0935 14.001 12.646 38.9659 -22.9401 40.5799 51.253 TIMING: 632400 CPU: 1829.21, 0.00301673/step Wall: 1829.21, 0.00301673/step, 3.65997 hours remaining, 206.386719 MB of memory in use. ENERGY: 632400 760.7036 2121.4347 1919.9926 115.8523 -206075.5066 17593.0817 0.0000 0.0000 34095.5545 -149468.8871 297.7650 -183564.4416 -149370.8349 298.0405 -239.4279 -211.1096 557832.7762 15.4739 15.3949 PRESSURE: 632600 -212.934 -11.6223 -164.43 -11.6231 122.858 10.1495 -164.43 10.1493 -215.799 GPRESSURE: 632600 -220.876 -20.8207 -127.704 7.69811 131.347 -77.0176 -113.868 3.42732 -121.197 PRESSAVG: 632600 -18.0064 49.8619 7.64367 49.862 -28.4399 17.3972 7.64368 17.3973 69.7544 GPRESSAVG: 632600 -18.9078 49.6457 7.42169 49.2284 -28.0432 16.3429 7.6779 18.9015 69.7285 TIMING: 632600 CPU: 1829.79, 0.00294274/step Wall: 1829.79, 0.00294274/step, 3.57004 hours remaining, 206.746094 MB of memory in use. ENERGY: 632600 729.2370 2043.5148 1962.8244 119.8054 -206039.8633 17581.0085 0.0000 0.0000 34188.5919 -149414.8812 298.5775 -183603.4731 -149327.6940 298.7245 -101.9586 -70.2422 558567.3906 7.7694 7.5925 PRESSURE: 632800 -121.957 -0.0406101 -104.176 -0.0407926 -52.5427 -210.94 -104.177 -210.94 46.4859 GPRESSURE: 632800 -70.0919 34.2573 -112.239 -57.8123 -16.6018 -125.081 -86.4073 -216.006 56.5389 PRESSAVG: 632800 -12.8168 31.7083 -11.122 31.7083 -10.1945 -0.816175 -11.122 -0.81625 21.6125 GPRESSAVG: 632800 -11.1871 34.2308 -9.92571 31.9167 -10.649 -0.126406 -13.8584 -4.28575 20.7664 TIMING: 632800 CPU: 1830.37, 0.00289293/step Wall: 1830.37, 0.00289293/step, 3.50945 hours remaining, 206.746094 MB of memory in use. ENERGY: 632800 766.1907 2075.8930 1961.5571 125.0172 -206553.6260 17955.2519 0.0000 0.0000 34151.7696 -149517.9465 298.2559 -183669.7161 -149419.0694 298.5047 -42.6712 -10.0516 558004.9718 -0.4663 -0.3566 PRESSURE: 633000 239.484 36.0841 25.1785 36.0849 -189.844 246.166 25.1787 246.165 -186.854 GPRESSURE: 633000 238.007 15.3393 -36.8931 154.692 -128.627 183.691 63.4336 111.651 -152.527 PRESSAVG: 633000 -2.12808 59.9009 52.4485 59.901 -17.4776 -12.96 52.4485 -12.96 13.528 GPRESSAVG: 633000 -3.08804 59.1846 49.5787 59.2916 -16.9291 -11.3147 55.989 -13.9187 14.5785 TIMING: 633000 CPU: 1830.96, 0.00291499/step Wall: 1830.96, 0.00291499/step, 3.53605 hours remaining, 206.746094 MB of memory in use. ENERGY: 633000 724.9712 2094.7967 1952.4360 114.3092 -206242.9186 17715.7903 0.0000 0.0000 33999.5136 -149641.1016 296.9262 -183640.6152 -149550.6641 298.7459 -45.7382 -14.3825 557878.2370 -2.0259 -1.8129 PRESSURE: 633200 102.85 -132.171 63.6161 -132.171 -222.266 257.019 63.6158 257.022 -213.985 GPRESSURE: 633200 132.731 -140.856 103.21 -130.034 -163.475 259.757 54.5245 320.535 -208.018 PRESSAVG: 633200 -70.4476 -0.888303 45.048 -0.888306 41.4364 4.35685 45.048 4.35674 24.2527 GPRESSAVG: 633200 -71.0824 -3.86676 46.0017 1.75832 42.384 2.72563 41.6014 6.9221 24.0817 TIMING: 633200 CPU: 1831.54, 0.00291393/step Wall: 1831.54, 0.00291393/step, 3.53459 hours remaining, 206.746094 MB of memory in use. ENERGY: 633200 787.6088 2030.3658 1947.8719 108.9529 -206632.8204 17918.0922 0.0000 0.0000 34144.3111 -149695.6177 298.1908 -183839.9288 -149596.1188 297.8394 -111.1337 -79.5871 557957.9749 -1.5862 -1.5389 PRESSURE: 633400 130.541 -43.1434 -6.53078 -43.1411 203.286 59.3402 -6.53135 59.3408 9.67742 GPRESSURE: 633400 150.133 -53.4776 -35.2769 -5.40834 248.339 98.4528 -6.91187 28.3239 30.5222 PRESSAVG: 633400 16.6215 14.2871 21.2912 14.2871 -28.1944 0.814913 21.2912 0.81498 8.33109 GPRESSAVG: 633400 17.4826 14.3685 21.265 14.094 -28.4486 3.73901 23.8994 0.295231 7.27655 TIMING: 633400 CPU: 1832.12, 0.00291908/step Wall: 1832.12, 0.00291908/step, 3.54068 hours remaining, 206.746094 MB of memory in use. ENERGY: 633400 698.6850 2107.5601 1952.4007 119.0794 -206761.2669 18028.4508 0.0000 0.0000 34104.0934 -149750.9975 297.8395 -183855.0909 -149657.6931 297.7321 114.5014 142.9980 556462.7189 -1.0806 -1.2298 PRESSURE: 633600 -32.2884 4.55017 24.4985 4.54996 -85.8132 90.6237 24.4983 90.6253 -60.9987 GPRESSURE: 633600 -31.3749 -72.4623 77.6619 -27.9577 -77.2493 57.4092 42.3993 177.413 21.9559 PRESSAVG: 633600 -8.02034 -8.1994 11.0975 -8.19953 2.98961 25.6651 11.0974 25.6653 37.2776 GPRESSAVG: 633600 -9.90276 -8.07617 11.5823 -9.34892 2.82121 21.9634 11.8134 25.8749 39.1031 TIMING: 633600 CPU: 1832.7, 0.00290055/step Wall: 1832.7, 0.00290055/step, 3.51805 hours remaining, 206.746094 MB of memory in use. ENERGY: 633600 746.4308 2136.4808 1950.2788 108.9118 -206585.4260 17855.1711 0.0000 0.0000 34068.4274 -149719.7253 297.5280 -183788.1527 -149628.2787 297.9690 -59.7001 -28.8894 557735.9496 10.7489 10.6739 PRESSURE: 633800 33.0569 91.6571 48.6527 91.6576 281.697 -28.6868 48.6522 -28.687 77.4775 GPRESSURE: 633800 85.7872 54.0513 74.9285 128.032 305.744 -74.019 -36.3146 39.2795 98.5386 PRESSAVG: 633800 -88.3726 -29.4603 2.80048 -29.4603 -16.6763 58.8793 2.80051 58.8792 85.2233 GPRESSAVG: 633800 -87.2101 -29.8179 3.30789 -29.6138 -15.5702 61.6318 2.27893 57.775 83.9842 TIMING: 633800 CPU: 1833.28, 0.00290327/step Wall: 1833.28, 0.00290327/step, 3.52119 hours remaining, 206.746094 MB of memory in use. ENERGY: 633800 741.3904 2072.6228 1942.8133 111.8924 -206718.5189 18072.9231 0.0000 0.0000 34083.1049 -149693.7720 297.6562 -183776.8769 -149604.2038 298.2262 130.7439 163.3566 556374.5070 -6.6085 -6.2654 PRESSURE: 634000 -164.414 -108.073 -34.5605 -108.072 -57.3739 115.354 -34.5607 115.354 -46.7411 GPRESSURE: 634000 -147.932 -108.982 -56.5782 -90.7899 32.3583 85.1606 11.7268 174.446 -52.8774 PRESSAVG: 634000 27.8161 -3.97261 -6.6897 -3.97267 37.8949 -26.069 -6.68978 -26.069 -30.829 GPRESSAVG: 634000 28.4525 -4.54963 -7.59179 -4.26945 37.6487 -27.9271 -6.21552 -25.0649 -30.9396 TIMING: 634000 CPU: 1833.86, 0.00289657/step Wall: 1833.86, 0.00289657/step, 3.51289 hours remaining, 206.746094 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: 634000 819.8468 2033.8863 1930.3467 108.4356 -206107.0285 17640.5143 0.0000 0.0000 34172.2971 -149401.7017 298.4352 -183573.9989 -149304.8217 298.2109 -89.5098 -56.1505 557203.5561 11.6273 11.7205 PRESSURE: 634200 -73.3962 -111.636 -169.1 -111.636 220.201 40.7283 -169.1 40.7273 -176.301 GPRESSURE: 634200 -41.1642 -70.6108 -313.859 -45.2481 220.409 46.5843 -57.7668 -15.1073 -105.894 PRESSAVG: 634200 -12.7887 -44.9364 -18.0507 -44.9363 47.1009 -20.1263 -18.0507 -20.1263 -23.4882 GPRESSAVG: 634200 -13.3237 -41.6143 -17.8612 -44.0704 45.2921 -18.404 -18.718 -21.5944 -21.2895 TIMING: 634200 CPU: 1834.44, 0.00290214/step Wall: 1834.44, 0.00290214/step, 3.51949 hours remaining, 206.746094 MB of memory in use. ENERGY: 634200 768.6572 2072.8103 1934.4197 113.6775 -206276.1592 17859.6970 0.0000 0.0000 34361.0456 -149165.8519 300.0836 -183526.8975 -149072.0578 299.8057 -9.8319 24.4504 557291.2030 3.6080 3.5596 PRESSURE: 634400 -100.418 51.2896 -63.8263 51.2904 -31.3528 105.495 -63.8269 105.496 -272.557 GPRESSURE: 634400 -104.821 48.4086 -75.0973 55.6458 33.3151 109.606 -73.4914 68.695 -231.879 PRESSAVG: 634400 35.2665 -39.0618 20.1972 -39.0617 23.6758 69.3093 20.1972 69.3093 -48.0489 GPRESSAVG: 634400 35.9505 -40.5957 20.7964 -39.6511 24.1629 67.8534 20.5723 71.6243 -49.6028 TIMING: 634400 CPU: 1835.02, 0.00290593/step Wall: 1835.02, 0.00290593/step, 3.52393 hours remaining, 206.746094 MB of memory in use. ENERGY: 634400 723.1814 2101.8260 1921.3697 105.3093 -205575.5982 17459.0736 0.0000 0.0000 34082.9172 -149181.9210 297.6546 -183264.8382 -149087.6997 299.6113 -134.7759 -101.1285 558086.9933 3.6311 3.5036 PRESSURE: 634600 164.63 16.0299 68.3077 16.031 210.836 -29.6642 68.3083 -29.6631 -89.2157 GPRESSURE: 634600 234.277 74.507 70.258 -21.571 197.018 -27.1334 38.9641 -32.2675 -51.4205 PRESSAVG: 634600 -5.15731 -28.165 -25.4645 -28.165 20.7435 14.4156 -25.4646 14.4156 -23.5239 GPRESSAVG: 634600 -5.18319 -28.6317 -26.1298 -28.2401 20.8534 13.8502 -25.1607 14.3858 -23.5732 TIMING: 634600 CPU: 1835.61, 0.00290579/step Wall: 1835.61, 0.00290579/step, 3.5236 hours remaining, 206.746094 MB of memory in use. ENERGY: 634600 695.9898 2066.0464 1914.3273 115.9977 -206190.7320 17937.5772 0.0000 0.0000 34286.8590 -149173.9346 299.4357 -183460.7936 -149077.7478 298.7818 95.4166 126.6248 557220.8222 -2.6459 -2.6343 PRESSURE: 634800 -36.8426 -60.8972 -146.226 -60.8975 -17.919 142.553 -146.227 142.553 -69.0149 GPRESSURE: 634800 -24.338 -117.267 -122.998 -91.9406 6.41874 82.015 -165.917 123.134 -10.0183 PRESSAVG: 634800 51.9713 -10.9562 -64.0861 -10.9562 19.9402 36.7862 -64.0861 36.7863 -44.4902 GPRESSAVG: 634800 53.0386 -9.90182 -63.8541 -10.4424 19.1688 37.2442 -64.9021 36.7954 -44.7442 TIMING: 634800 CPU: 1836.19, 0.00290447/step Wall: 1836.19, 0.00290447/step, 3.52183 hours remaining, 206.746094 MB of memory in use. ENERGY: 634800 746.4635 2086.3336 1923.8926 112.3456 -206058.1017 17700.3266 0.0000 0.0000 34381.1650 -149107.5747 300.2593 -183488.7397 -149011.4269 299.8135 -41.2589 -9.3125 557679.7511 9.1404 9.1544 PRESSURE: 635000 91.0604 -87.4172 232.375 -87.4161 -362.522 192.801 232.375 192.8 -145.493 GPRESSURE: 635000 107.903 -33.8965 229.018 -39.9929 -319.963 247.473 179.153 141.549 -99.8729 PRESSAVG: 635000 32.3611 21.9178 22.5291 21.9178 30.5018 5.27677 22.5291 5.27675 -30.8616 GPRESSAVG: 635000 29.8973 20.8936 23.596 20.0084 31.0538 6.25247 22.867 4.35198 -29.769 TIMING: 635000 CPU: 1836.77, 0.00290891/step Wall: 1836.77, 0.00290891/step, 3.52705 hours remaining, 206.746094 MB of memory in use. ENERGY: 635000 751.1489 2057.7154 1923.7550 119.0490 -205980.2549 17703.7639 0.0000 0.0000 34354.2368 -149070.5859 300.0241 -183424.8227 -148964.7115 299.6103 -138.9848 -103.9777 558232.2897 10.6671 10.3940 PRESSURE: 635200 -11.022 2.83748 -33.8227 2.8393 46.1461 195.073 -33.8226 195.073 -61.6892 GPRESSURE: 635200 -33.0268 23.1693 -49.8219 0.944074 101.353 322.569 -117.38 157.528 13.7493 PRESSAVG: 635200 22.0655 -14.073 57.3043 -14.073 5.61457 24.011 57.3043 24.011 -34.1979 GPRESSAVG: 635200 22.4961 -14.2462 55.7823 -13.3691 6.52313 23.6524 59.7774 23.1485 -35.3853 TIMING: 635200 CPU: 1837.35, 0.00290998/step Wall: 1837.35, 0.00290998/step, 3.52819 hours remaining, 206.746094 MB of memory in use. ENERGY: 635200 766.8388 2111.7838 1957.1403 119.6444 -205929.4536 17682.6111 0.0000 0.0000 34212.3460 -149079.0892 298.7849 -183291.4352 -148980.7089 299.3270 -8.8550 27.3584 556929.4465 -2.1726 -2.1220 PRESSURE: 635400 166.881 17.0103 -100.491 17.0103 35.3861 -30.2976 -100.49 -30.2962 185.015 GPRESSURE: 635400 170.263 17.5885 -73.5077 65.4355 95.9355 -80.7847 -64.6181 12.6708 209.915 PRESSAVG: 635400 -56.6566 33.4423 -35.6406 33.4423 53.4994 40.8536 -35.6406 40.8537 16.0194 GPRESSAVG: 635400 -55.3125 33.5768 -36.6614 34.9918 51.679 39.9893 -37.4948 41.5201 16.1558 TIMING: 635400 CPU: 1837.93, 0.00292124/step Wall: 1837.93, 0.00292124/step, 3.54168 hours remaining, 206.746094 MB of memory in use. ENERGY: 635400 723.8067 2087.1298 1948.0951 105.4563 -205931.4858 17762.5466 0.0000 0.0000 34293.1884 -149011.2629 299.4909 -183304.4513 -148911.4941 299.9809 129.0941 158.7045 555531.5681 4.2874 4.1741 PRESSURE: 635600 69.7978 -47.6398 124.059 -47.6395 -9.90002 47.5468 124.058 47.5459 107.111 GPRESSURE: 635600 90.3087 -53.5035 67.6134 -18.5312 -8.753 -65.8211 105.887 51.787 172.099 PRESSAVG: 635600 15.5404 -59.4192 -5.29546 -59.4193 -14.9856 -3.80388 -5.29549 -3.80383 -8.8341 GPRESSAVG: 635600 13.3207 -58.2343 -3.23677 -59.8988 -13.039 -2.72459 -8.14682 -3.63215 -8.06658 TIMING: 635600 CPU: 1838.52, 0.00290692/step Wall: 1838.52, 0.00290692/step, 3.52416 hours remaining, 206.746094 MB of memory in use. ENERGY: 635600 731.9667 2106.2639 1932.3317 112.3648 -205871.7823 17738.0260 0.0000 0.0000 34371.6401 -148879.1890 300.1761 -183250.8291 -148780.3967 300.7151 55.6697 84.5517 555932.0209 -2.7598 -2.5950 PRESSURE: 635800 152.776 -73.3811 -39.3908 -73.3813 -175.557 143.841 -39.3898 143.839 -233.061 GPRESSURE: 635800 143.489 -66.8158 -92.2784 -96.9034 -110.736 118.814 -2.64725 117.554 -195.569 PRESSAVG: 635800 26.2979 -22.2552 -10.3934 -22.2553 -16.2466 23.4401 -10.3934 23.4401 -11.7458 GPRESSAVG: 635800 25.9883 -23.6581 -10.9177 -20.9847 -15.8251 23.1742 -8.20371 21.5437 -12.6816 TIMING: 635800 CPU: 1839.1, 0.00290432/step Wall: 1839.1, 0.00290432/step, 3.52085 hours remaining, 206.746094 MB of memory in use. ENERGY: 635800 743.4870 2104.9483 1947.2051 105.1669 -205876.6814 17662.3178 0.0000 0.0000 34439.9646 -148873.5917 300.7728 -183313.5563 -148783.2005 300.8314 -85.2807 -54.2719 557551.8506 -0.5648 -0.8395 PRESSURE: 636000 25.0972 253.844 10.9775 253.845 272.136 -139.142 10.9774 -139.141 164.05 GPRESSURE: 636000 75.4342 170.558 -61.3673 319.706 295.193 -85.8375 21.6197 -77.7193 193.71 PRESSAVG: 636000 58.3154 24.6872 19.0723 24.6873 21.6776 5.08246 19.0722 5.08245 -28.3519 GPRESSAVG: 636000 58.8224 25.369 19.0592 23.2231 20.7482 3.39097 19.5189 7.46452 -28.2428 TIMING: 636000 CPU: 1839.68, 0.00289146/step Wall: 1839.68, 0.00289146/step, 3.50509 hours remaining, 206.746094 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: 636000 752.0873 2083.6861 1936.3746 108.4530 -205736.5862 17693.9377 0.0000 0.0000 34412.6069 -148749.4406 300.5339 -183162.0475 -148658.7365 300.5197 153.7610 188.1123 555806.4595 17.2137 17.1093 PRESSURE: 636200 -104.146 -65.5815 124.593 -65.5811 109.585 180.861 124.591 180.862 -26.1633 GPRESSURE: 636200 -67.6492 17.0897 77.2765 -139.326 163.686 149.182 136.906 319.053 -27.0685 PRESSAVG: 636200 -20.646 65.2439 -31.0058 65.2439 37.9638 38.7537 -31.0058 38.7536 -13.0806 GPRESSAVG: 636200 -19.9724 65.5725 -31.0984 65.56 39.0745 39.3919 -32.9773 37.8818 -14.2063 TIMING: 636200 CPU: 1840.25, 0.0028881/step Wall: 1840.25, 0.0028881/step, 3.50085 hours remaining, 206.746094 MB of memory in use. ENERGY: 636200 729.8527 2054.9179 1938.8053 126.7900 -205770.6077 17672.3122 0.0000 0.0000 34399.7137 -148848.2159 300.4213 -183247.9296 -148748.2123 300.3967 -6.9079 22.9895 555730.0131 1.4124 1.6319 LDB: ============= START OF LOAD BALANCING ============== 1843.64 LDB: ============== END OF LOAD BALANCING =============== 1843.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1843.64 LDB: ============= START OF LOAD BALANCING ============== 1843.93 LDB: Largest compute 4820 load 0.028886 is 24.5% of average load 0.117896 LDB: Average compute 0.001717 is 1.5% of average load 0.117896 LDB: TIME 1843.93 LOAD: AVG 0.117896 MAX 0.184506 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.949 MB LDB: TIME 1843.93 LOAD: AVG 0.117896 MAX 0.184506 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.02 MB LDB: TIME 1843.94 LOAD: AVG 0.117896 MAX 0.184506 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1843.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1843.94 PRESSURE: 636400 -150.695 -27.7456 -12.5621 -27.7465 -296.573 112.831 -12.5622 112.831 251.97 GPRESSURE: 636400 -158.469 -29.9583 27.1934 -43.4897 -221.483 92.0092 -56.5718 156.215 277.187 PRESSAVG: 636400 43.9176 45.1324 -28.032 45.1323 31.4365 57.0042 -28.032 57.0042 -19.0742 GPRESSAVG: 636400 43.6345 44.8724 -26.3652 46.4093 30.1842 58.4622 -29.442 57.3081 -17.5764 TIMING: 636400 CPU: 1840.85, 0.0029638/step Wall: 1840.85, 0.0029638/step, 3.59246 hours remaining, 206.835938 MB of memory in use. ENERGY: 636400 732.8727 2048.7366 1958.4764 116.5151 -205912.4140 17788.2756 0.0000 0.0000 34549.1399 -148718.3978 301.7262 -183267.5377 -148616.8002 300.4693 -65.0994 -34.2553 558265.8265 18.7600 18.7474 PRESSURE: 636600 -17.847 -2.87952 -98.6332 -2.87841 -298.193 6.42459 -98.6338 6.4251 -122.36 GPRESSURE: 636600 39.49 -41.9635 -85.2318 10.5121 -289.167 -16.3754 -53.0716 22.4751 -91.744 PRESSAVG: 636600 -68.8529 0.584314 -39.68 0.584324 10.5021 11.3758 -39.68 11.3758 57.6406 GPRESSAVG: 636600 -69.3787 0.674657 -40.2467 -0.0083965 10.6346 12.4937 -36.6954 9.14743 57.8212 TIMING: 636600 CPU: 1841.43, 0.00289832/step Wall: 1841.43, 0.00289832/step, 3.51293 hours remaining, 206.945312 MB of memory in use. ENERGY: 636600 730.8507 2104.1754 1912.0030 122.1049 -205462.5360 17616.5274 0.0000 0.0000 34320.6327 -148656.2420 299.7306 -182976.8747 -148558.4297 300.3775 -146.1332 -113.8070 559728.5569 -0.2367 -0.3076 PRESSURE: 636800 -217.461 -77.1256 -37.0981 -77.1249 -12.875 -195.938 -37.0981 -195.94 -310.535 GPRESSURE: 636800 -266.051 9.54065 5.72598 -122.08 90.8685 -96.736 -106.496 -212.735 -263.184 PRESSAVG: 636800 -78.1234 15.6029 -59.2432 15.603 47.3737 -5.19101 -59.2432 -5.19109 43.9678 GPRESSAVG: 636800 -78.6532 14.7657 -61.2619 15.5104 47.5728 -7.0403 -59.2672 -3.06417 44.6516 TIMING: 636800 CPU: 1842, 0.00289063/step Wall: 1842, 0.00289063/step, 3.50344 hours remaining, 206.945312 MB of memory in use. ENERGY: 636800 736.6782 2054.1399 1928.1119 107.6325 -205247.6926 17499.4974 0.0000 0.0000 34476.4873 -148445.1454 301.0917 -182921.6327 -148356.5676 300.0945 -180.2905 -146.1221 558153.8226 4.4060 4.5238 PRESSURE: 637000 79.2691 0.174168 -50.4756 0.174418 -23.161 -40.3751 -50.4761 -40.3755 263.047 GPRESSURE: 637000 151.204 -54.4629 -2.1161 90.6673 6.81053 -82.7405 60.7868 5.62832 267.195 PRESSAVG: 637000 -20.1455 45.6117 7.73818 45.6116 -26.4362 -31.7607 7.7381 -31.7606 21.1081 GPRESSAVG: 637000 -17.595 45.7025 9.4514 45.0428 -27.2419 -31.0724 6.94952 -32.885 19.4921 TIMING: 637000 CPU: 1842.59, 0.00291353/step Wall: 1842.59, 0.00291353/step, 3.53104 hours remaining, 206.945312 MB of memory in use. ENERGY: 637000 742.8550 2033.5268 1950.6252 103.0645 -205665.4094 17807.4864 0.0000 0.0000 34451.8186 -148576.0329 300.8763 -183027.8515 -148483.0071 301.1480 106.3851 141.7366 557821.1806 -8.4912 -8.4482 PRESSURE: 637200 -62.9669 53.9039 35.9403 53.9028 52.4728 93.9094 35.9401 93.9094 -9.80024 GPRESSURE: 637200 -54.4905 74.6777 112.579 31.191 62.3957 23.2807 -21.5691 202.992 74.4331 PRESSAVG: 637200 -19.8393 -34.4731 -19.3945 -34.4731 -36.3463 30.4547 -19.3946 30.4547 42.9573 GPRESSAVG: 637200 -21.263 -34.2533 -20.203 -33.2755 -36.6262 30.5384 -19.8912 30.9843 44.6131 TIMING: 637200 CPU: 1843.16, 0.00289347/step Wall: 1843.16, 0.00289347/step, 3.50656 hours remaining, 207.203125 MB of memory in use. ENERGY: 637200 776.2207 2034.9808 1963.1895 122.2951 -206015.5445 17927.5351 0.0000 0.0000 34437.7104 -148753.6129 300.7531 -183191.3233 -148657.1247 300.2293 -6.7648 27.4461 558823.3709 -4.4094 -4.4254 PRESSURE: 637400 41.8289 -9.00833 69.1549 -9.00766 -80.1804 -119.541 69.1536 -119.541 87.1238 GPRESSURE: 637400 127.446 56.0677 38.4198 -86.0787 -81.3548 -38.448 40.6951 -133.651 108.964 PRESSAVG: 637400 -44.4192 22.3215 64.7753 22.3216 -9.71957 -6.64156 64.7753 -6.64158 46.0916 GPRESSAVG: 637400 -43.6718 21.6772 64.7851 20.2444 -10.3857 -7.62941 65.6615 -6.44779 45.8653 TIMING: 637400 CPU: 1843.75, 0.00291313/step Wall: 1843.75, 0.00291313/step, 3.53022 hours remaining, 207.203125 MB of memory in use. ENERGY: 637400 766.3795 2009.2599 1971.2562 113.0410 -205634.0360 17696.2600 0.0000 0.0000 34336.9540 -148740.8852 299.8732 -183077.8392 -148650.9350 300.0194 16.2574 51.6850 558962.7648 -2.6824 -2.7307 PRESSURE: 637600 -98.1091 0.651152 52.9123 0.65071 -180.609 -40.7197 52.9117 -40.7199 -189.293 GPRESSURE: 637600 -27.6524 -4.08023 49.1738 115.448 -118.106 -80.7858 130.312 -106.046 -212.374 PRESSAVG: 637600 9.71027 16.1889 -10.1676 16.1889 -2.64065 -13.3589 -10.1676 -13.359 -14.3928 GPRESSAVG: 637600 10.128 17.7425 -8.79069 17.7765 -2.09269 -12.9899 -10.2403 -14.3969 -15.533 TIMING: 637600 CPU: 1844.33, 0.00290762/step Wall: 1844.33, 0.00290762/step, 3.52339 hours remaining, 207.203125 MB of memory in use. ENERGY: 637600 691.8818 2067.2736 1941.5142 120.6580 -205219.7011 17440.0546 0.0000 0.0000 34343.1924 -148615.1264 299.9276 -182958.3188 -148508.9561 300.0819 -156.0035 -119.3774 559858.2897 -2.4411 -2.4992 PRESSURE: 637800 186.351 -71.8331 41.7747 -71.8327 405.058 -153.983 41.7748 -153.983 110.444 GPRESSURE: 637800 220 -74.4943 19.2263 18.3468 422.751 -116.228 47.4879 -99.9353 156.531 PRESSAVG: 637800 47.8241 11.274 8.21367 11.274 -19.5808 -1.35114 8.21362 -1.35126 -28.6892 GPRESSAVG: 637800 46.3443 12.3123 6.87717 11.0587 -19.5733 -1.21054 8.47144 -0.269068 -27.2837 TIMING: 637800 CPU: 1844.91, 0.00291/step Wall: 1844.91, 0.00291/step, 3.52611 hours remaining, 207.203125 MB of memory in use. ENERGY: 637800 701.2886 2114.3731 1947.9797 128.0022 -205807.7850 17974.9415 0.0000 0.0000 34351.1233 -148590.0764 299.9969 -182941.1998 -148487.7769 300.8701 233.9511 266.4275 556749.7700 -0.1486 -0.1709 PRESSURE: 638000 114.114 -62.7587 209.424 -62.7591 -170.895 45.2528 209.423 45.2525 202.334 GPRESSURE: 638000 121.758 -67.6648 255.863 -31.1038 -149.931 28.2229 199.917 1.608 257.556 PRESSAVG: 638000 -25.8788 -56.3673 4.96105 -56.3673 11.0505 -66.1664 4.96092 -66.1664 12.2122 GPRESSAVG: 638000 -26.1523 -56.8049 6.13158 -58.4621 11.7452 -64.2137 4.7868 -68.5005 11.7894 TIMING: 638000 CPU: 1845.49, 0.00288505/step Wall: 1845.49, 0.00288505/step, 3.49572 hours remaining, 207.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 638000 755.3069 2053.6818 1958.7671 120.0895 -205692.7233 17712.4046 0.0000 0.0000 34408.4986 -148683.9749 300.4980 -183092.4734 -148582.3537 301.9679 48.5176 76.4609 558253.9878 -0.8720 -0.8726 PRESSURE: 638200 -156.838 -87.5817 -15.882 -87.5805 64.3523 109.348 -15.8815 109.349 95.7642 GPRESSURE: 638200 -88.5493 -22.6809 79.0977 -154.286 62.6359 -0.180702 -39.621 139.375 127.254 PRESSAVG: 638200 14.1498 -45.4033 32.5909 -45.4033 -83.4626 40.3125 32.591 40.3123 27.56 GPRESSAVG: 638200 15.7115 -47.0142 31.4923 -41.9611 -84.712 37.7051 32.8246 41.869 27.6039 TIMING: 638200 CPU: 1846.07, 0.00290239/step Wall: 1846.07, 0.00290239/step, 3.51657 hours remaining, 207.203125 MB of memory in use. ENERGY: 638200 734.2349 2091.3383 1933.3820 109.5619 -205849.7740 17712.0650 0.0000 0.0000 34491.7051 -148777.4868 301.2246 -183269.1919 -148675.4472 301.0005 1.0929 33.7800 558756.0647 -13.9176 -13.7988 PRESSURE: 638400 -241.001 -185.631 -176.643 -185.63 -225.498 74.1387 -176.644 74.1399 -150.122 GPRESSURE: 638400 -137.053 -179.338 -180.645 -112.344 -239.878 108.028 -162.91 121.202 -151.73 PRESSAVG: 638400 0.800988 3.4763 -2.07313 3.47638 -42.7666 37.7602 -2.07317 37.7603 40.5032 GPRESSAVG: 638400 -0.146017 2.31037 -2.53542 1.40427 -42.0438 38.7749 -3.65286 39.0546 40.562 TIMING: 638400 CPU: 1846.65, 0.00289775/step Wall: 1846.65, 0.00289775/step, 3.51079 hours remaining, 207.203125 MB of memory in use. ENERGY: 638400 759.9620 2069.9737 1929.1334 113.7539 -205833.7761 17626.4510 0.0000 0.0000 34553.4077 -148781.0944 301.7635 -183334.5022 -148681.9082 300.3372 -205.5401 -176.2204 558978.5106 -0.4875 -0.5426 PRESSURE: 638600 -51.4784 -76.0643 -162.691 -76.0645 -69.6892 93.9516 -162.69 93.9513 -43.6781 GPRESSURE: 638600 -25.4875 15.488 -133.781 -32.8726 -9.61895 103.139 -159.591 87.6668 -22.2039 PRESSAVG: 638600 35.1635 -48.4903 -19.1126 -48.4904 -14.0408 26.0661 -19.1126 26.066 -11.5019 GPRESSAVG: 638600 35.436 -45.4965 -20.0047 -48.2568 -14.6905 23.6502 -16.8973 27.8977 -11.3822 TIMING: 638600 CPU: 1847.22, 0.00287464/step Wall: 1847.22, 0.00287464/step, 3.48263 hours remaining, 207.203125 MB of memory in use. ENERGY: 638600 739.6602 2030.7406 1919.8125 108.2331 -205504.6858 17534.5433 0.0000 0.0000 34095.0174 -149076.6788 297.7603 -183171.6961 -148980.0626 299.7080 -54.9486 -19.1034 558514.9115 3.2069 3.1211 PRESSURE: 638800 10.1907 -19.8321 73.1326 -19.8304 3.10357 272.423 73.1321 272.423 -253.587 GPRESSURE: 638800 31.7247 -34.1706 81.0942 -82.8031 56.8736 181.166 14.6379 286.624 -235.44 PRESSAVG: 638800 25.7437 13.9875 -31.1375 13.9876 -22.6435 36.3107 -31.1375 36.3107 -5.43251 GPRESSAVG: 638800 25.7391 11.9234 -30.1804 13.1214 -22.8242 37.2884 -32.8421 33.7096 -5.17507 TIMING: 638800 CPU: 1847.8, 0.00290551/step Wall: 1847.8, 0.00290551/step, 3.51987 hours remaining, 207.203125 MB of memory in use. ENERGY: 638800 732.9160 2082.0006 1949.0871 107.2253 -205635.3254 17617.9652 0.0000 0.0000 34159.3669 -148986.7643 298.3222 -183146.1312 -148899.2699 299.3013 -80.0976 -48.9471 557728.3614 -0.7775 -0.7534 PRESSURE: 639000 26.6798 -118.781 8.56096 -118.782 -138.149 10.6952 8.56028 10.694 341.726 GPRESSURE: 639000 37.7459 -66.7966 -2.14847 -104.608 -99.0161 123.515 28.6867 -26.3709 380.589 PRESSAVG: 639000 -1.22527 -39.9151 11.7104 -39.9151 -17.0889 43.501 11.7104 43.5011 77.6333 GPRESSAVG: 639000 -1.28372 -40.3491 12.1963 -38.4329 -16.4957 45.8875 11.0155 44.3682 76.6287 TIMING: 639000 CPU: 1848.38, 0.00290563/step Wall: 1848.38, 0.00290563/step, 3.51984 hours remaining, 207.203125 MB of memory in use. ENERGY: 639000 739.9905 2061.2175 1937.3614 117.5091 -206127.6245 17838.1912 0.0000 0.0000 34263.2801 -149170.0747 299.2297 -183433.3548 -149072.8725 299.9161 76.7521 106.4397 556975.2953 19.7730 19.6164 PRESSURE: 639200 20.063 -102.282 -82.0987 -102.282 165.672 -149.933 -82.0979 -149.933 112.683 GPRESSURE: 639200 61.6767 -124.751 -81.8782 -133.352 161.516 -145.731 0.602519 -154.028 181.45 PRESSAVG: 639200 2.08703 -18.9237 -2.20733 -18.9236 -0.64806 9.44595 -2.20735 9.44608 40.6049 GPRESSAVG: 639200 3.19715 -17.8715 -2.68202 -18.7926 -2.19812 8.48229 -1.63063 8.46863 40.9694 TIMING: 639200 CPU: 1848.96, 0.00289912/step Wall: 1848.96, 0.00289912/step, 3.5118 hours remaining, 207.203125 MB of memory in use. ENERGY: 639200 714.2838 2098.2030 1954.0073 113.6762 -206340.3312 17961.9367 0.0000 0.0000 34216.5047 -149281.7195 298.8212 -183498.2242 -149188.9473 299.2272 99.4726 134.8809 557383.9886 14.0146 13.9895 PRESSURE: 639400 70.379 125.009 163.924 125.007 84.9525 132.745 163.925 132.744 185.968 GPRESSURE: 639400 116.337 211.107 143.766 74.2199 156.752 64.0448 123.147 133.875 160.921 PRESSAVG: 639400 -17.3815 25.7015 18.6217 25.7014 -50.0707 17.8526 18.6217 17.8526 51.7067 GPRESSAVG: 639400 -17.0812 26.0022 18.615 23.3456 -49.7266 18.4687 19.5481 18.9549 51.0407 TIMING: 639400 CPU: 1849.55, 0.00290659/step Wall: 1849.55, 0.00290659/step, 3.52069 hours remaining, 207.203125 MB of memory in use. ENERGY: 639400 746.4946 2055.1930 1939.2242 114.7196 -206761.2044 18109.3985 0.0000 0.0000 34335.3369 -149460.8375 299.8590 -183796.1745 -149363.3143 298.4911 113.7666 144.6698 556233.5277 -5.2485 -5.2557 PRESSURE: 639600 -148.158 -2.35354 -6.90535 -2.35403 5.08648 135.626 -6.90701 135.627 185.545 GPRESSURE: 639600 -148.361 96.0746 37.7731 -85.2287 54.8745 163.822 -129.735 124.677 223.674 PRESSAVG: 639600 5.43619 34.9214 52.1076 34.9213 -23.4627 42.5074 52.1076 42.5074 35.2544 GPRESSAVG: 639600 4.30576 34.2416 53.8846 35.5351 -22.6651 43.5305 49.6007 40.8101 35.7762 TIMING: 639600 CPU: 1850.13, 0.00289705/step Wall: 1850.13, 0.00289704/step, 3.50896 hours remaining, 207.203125 MB of memory in use. ENERGY: 639600 728.6768 2143.1819 1892.8748 109.3147 -206356.4700 17945.0172 0.0000 0.0000 34126.0997 -149411.3047 298.0317 -183537.4044 -149313.9682 298.5201 14.1579 43.3957 558219.7171 5.7426 5.8056 PRESSURE: 639800 -27.0558 -130.098 -91.0848 -130.097 491.566 79.1998 -91.0855 79.1999 -168.274 GPRESSURE: 639800 52.7159 -84.5035 -49.0202 -125.212 461.003 26.9868 -102.659 79.067 -123.061 PRESSAVG: 639800 -10.8157 29.1491 2.40995 29.149 30.4609 -25.7963 2.40997 -25.7963 2.07971 GPRESSAVG: 639800 -11.1866 28.1243 -0.653464 30.1085 30.6045 -25.0636 5.56598 -24.887 2.31274 TIMING: 639800 CPU: 1850.71, 0.00291206/step Wall: 1850.71, 0.00291206/step, 3.52699 hours remaining, 207.203125 MB of memory in use. ENERGY: 639800 755.2741 2078.5176 1927.1816 95.1456 -206577.6846 18033.2289 0.0000 0.0000 34357.8008 -149330.5359 300.0552 -183688.3367 -149236.2304 299.0401 98.7453 130.2191 556366.3842 7.2416 7.2436 PRESSURE: 640000 138.075 110.26 -6.08267 110.259 313.604 -25.138 -6.08213 -25.1387 295.038 GPRESSURE: 640000 190.301 176.16 -58.8548 32.3782 355.414 44.1355 44.9914 -48.8308 285.293 PRESSAVG: 640000 19.3856 -9.80578 10.8543 -9.80576 -17.9716 -41.694 10.8544 -41.6942 0.285015 GPRESSAVG: 640000 20.2353 -9.05611 14.1374 -9.45876 -18.2683 -43.5089 7.15843 -40.7607 -0.0798917 TIMING: 640000 CPU: 1851.28, 0.00288117/step Wall: 1851.28, 0.00288117/step, 3.48942 hours remaining, 207.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 640000 732.3477 2116.9535 1924.6123 97.1725 -206976.1291 18343.5506 0.0000 0.0000 34372.8144 -149388.6782 300.1863 -183761.4925 -149289.9319 299.5781 248.9057 277.0029 557405.9388 0.5664 0.6290 PRESSURE: 640200 -5.98239 132.307 -49.9408 132.306 -160.108 -85.0689 -49.9405 -85.0684 214.418 GPRESSURE: 640200 -14.5951 59.4246 -44.5957 152.975 -50.146 -114.149 -20.4729 -34.9236 219.202 PRESSAVG: 640200 39.9747 -14.869 -21.1801 -14.869 -113.72 4.8977 -21.1801 4.89756 43.7411 GPRESSAVG: 640200 39.6217 -15.3245 -23.467 -14.5589 -112.619 4.30156 -18.7884 4.32658 42.9631 TIMING: 640200 CPU: 1851.87, 0.00292319/step Wall: 1851.87, 0.00292319/step, 3.54014 hours remaining, 207.203125 MB of memory in use. ENERGY: 640200 765.1112 2091.9950 1914.4450 121.1026 -206546.1274 17861.2132 0.0000 0.0000 34386.5175 -149405.7430 300.3060 -183792.2605 -149307.6740 298.9694 16.1093 51.4870 556255.0005 -10.0015 -10.0114 LDB: ============= START OF LOAD BALANCING ============== 1855.26 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1855.26 LDB: =============== DONE WITH MIGRATION ================ 1855.26 LDB: ============= START OF LOAD BALANCING ============== 1855.55 LDB: Largest compute 4820 load 0.028966 is 24.6% of average load 0.117863 LDB: Average compute 0.001715 is 1.5% of average load 0.117863 LDB: TIME 1855.55 LOAD: AVG 0.117863 MAX 0.187772 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.203 MB LDB: TIME 1855.55 LOAD: AVG 0.117863 MAX 0.187772 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.273 MB LDB: TIME 1855.55 LOAD: AVG 0.117863 MAX 0.187772 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.273 MB LDB: ============== END OF LOAD BALANCING =============== 1855.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1855.56 PRESSURE: 640400 -52.7674 36.1068 5.51718 36.1072 -25.0709 -113.234 5.51719 -113.235 11.3922 GPRESSURE: 640400 5.0317 20.8219 53.2004 173.772 -25.9051 -165.887 40.6325 -93.0875 48.9816 PRESSAVG: 640400 8.50755 75.6326 8.58158 75.6327 -19.8225 -27.9019 8.58165 -27.9019 29.2986 GPRESSAVG: 640400 8.72097 75.5531 8.98525 76.3568 -20.2907 -30.0192 9.90345 -26.4763 29.5114 TIMING: 640400 CPU: 1852.46, 0.00296699/step Wall: 1852.46, 0.00296699/step, 3.59302 hours remaining, 206.882812 MB of memory in use. ENERGY: 640400 748.5939 2107.1517 1942.1152 119.9712 -206152.3945 17646.1535 0.0000 0.0000 34188.4528 -149399.9562 298.5763 -183588.4090 -149305.9176 299.1345 -22.1487 9.3694 556215.7463 5.9945 5.9806 PRESSURE: 640600 -70.8021 17.3833 117.637 17.3824 198.489 3.79586 117.637 3.79641 -95.7941 GPRESSURE: 640600 -82.7385 -68.1523 95.7772 126.322 270.508 91.6137 192.057 -0.0689372 -59.2073 PRESSAVG: 640600 -33.1213 -19.313 9.40129 -19.3131 -34.8718 -42.0513 9.40133 -42.0513 119.268 GPRESSAVG: 640600 -33.5685 -20.225 8.73446 -21.2028 -34.9175 -40.7341 9.47315 -44.8069 120.25 TIMING: 640600 CPU: 1853.05, 0.00293196/step Wall: 1853.05, 0.00293196/step, 3.55044 hours remaining, 206.882812 MB of memory in use. ENERGY: 640600 743.0026 2041.3547 1941.6219 105.6739 -206208.7578 17819.6513 0.0000 0.0000 34317.7156 -149239.7378 299.7051 -183557.4534 -149149.1230 298.7629 10.6309 42.8542 557828.9987 17.0916 17.2545 PRESSURE: 640800 -400.53 132.874 215.231 132.874 -91.3504 -147.954 215.23 -147.955 -145.563 GPRESSURE: 640800 -312.772 62.3047 229.787 52.6731 -97.0308 -120.386 149.982 -79.3696 -135.861 PRESSAVG: 640800 -20.8395 51.5036 -9.40953 51.5036 13.6252 -38.1891 -9.40958 -38.1891 52.4143 GPRESSAVG: 640800 -20.0196 51.6484 -9.42347 52.5101 13.5203 -37.1483 -11.8693 -38.4508 52.2453 TIMING: 640800 CPU: 1853.63, 0.0028944/step Wall: 1853.63, 0.0028944/step, 3.50479 hours remaining, 206.882812 MB of memory in use. ENERGY: 640800 809.8232 2079.7625 1925.9305 107.4717 -205929.2797 17603.6479 0.0000 0.0000 34132.5360 -149270.1079 298.0879 -183402.6440 -149169.8956 298.8534 -212.4809 -181.8878 558268.3662 15.0666 15.2487 PRESSURE: 641000 -18.4252 -43.8362 -75.3577 -43.8367 -149.604 169.115 -75.3577 169.115 116.991 GPRESSURE: 641000 -6.22855 -108.608 -11.3781 48.1617 -123.4 159.774 -107.36 103.898 176.453 PRESSAVG: 641000 -10.6731 -11.0719 -8.31567 -11.0719 -48.5119 8.45516 -8.31566 8.45515 17.658 GPRESSAVG: 641000 -11.5285 -9.85208 -7.61806 -10.6064 -47.8307 6.71112 -6.38304 8.31918 17.4985 TIMING: 641000 CPU: 1854.21, 0.00293282/step Wall: 1854.21, 0.00293282/step, 3.55116 hours remaining, 206.882812 MB of memory in use. ENERGY: 641000 759.4692 2060.5483 1940.9971 122.5964 -206126.0404 17747.4445 0.0000 0.0000 34100.9853 -149393.9995 297.8124 -183494.9848 -149293.1112 298.8984 -17.0128 15.6079 558190.9268 -13.8424 -13.9536 PRESSURE: 641200 -304.279 -266.171 157.102 -266.171 -93.1506 133.602 157.101 133.603 -40.5281 GPRESSURE: 641200 -311.547 -228.482 132.434 -184.552 -58.1611 200.852 159.727 119.191 28.7871 PRESSAVG: 641200 10.7146 11.1796 39.8684 11.1795 -26.65 -1.81412 39.8683 -1.81406 39.8821 GPRESSAVG: 641200 11.4818 11.5485 39.4357 10.1375 -27.3072 -2.48064 39.1953 -1.40959 39.7775 TIMING: 641200 CPU: 1854.8, 0.0029099/step Wall: 1854.8, 0.0029099/step, 3.52325 hours remaining, 206.882812 MB of memory in use. ENERGY: 641200 737.3639 2079.3236 1934.8085 113.0709 -205865.0911 17517.2713 0.0000 0.0000 34346.6136 -149136.6394 299.9575 -183483.2530 -149041.6544 298.9280 -145.9859 -113.6405 557569.5210 7.9823 7.9840 PRESSURE: 641400 234.078 -46.0277 -11.0022 -46.0268 -47.5611 157.495 -11.0025 157.495 -42.6833 GPRESSURE: 641400 245.736 -127.764 -46.7234 10.831 -21.8023 122.022 -10.7689 188.252 7.09588 PRESSAVG: 641400 -60.2257 -21.5476 -25.5519 -21.5476 7.05541 60.0905 -25.5519 60.0906 78.4874 GPRESSAVG: 641400 -60.3676 -21.9263 -25.9855 -22.7353 6.86639 58.8597 -25.0249 60.066 78.9802 TIMING: 641400 CPU: 1855.37, 0.00289001/step Wall: 1855.37, 0.00289001/step, 3.49899 hours remaining, 206.882812 MB of memory in use. ENERGY: 641400 737.1948 2078.5147 1954.6055 114.9590 -206112.3752 17815.8034 0.0000 0.0000 34251.4540 -149159.8438 299.1265 -183411.2978 -149070.6927 299.6151 47.9445 77.0098 558445.3161 8.4390 8.4930 PRESSURE: 641600 14.6912 37.5047 -18.5471 37.5057 131.783 16.0795 -18.5466 16.0802 129.862 GPRESSURE: 641600 65.684 63.3517 44.0647 52.9979 104.436 -56.5465 -56.9066 12.1766 188.804 PRESSAVG: 641600 40.5431 -16.7391 -5.2613 -16.7392 -0.150078 20.1142 -5.26126 20.1142 -20.9389 GPRESSAVG: 641600 41.6579 -17.8112 -3.80957 -13.9853 0.183415 20.916 -5.25812 21.1084 -21.7672 TIMING: 641600 CPU: 1855.96, 0.00290846/step Wall: 1855.96, 0.00290846/step, 3.52118 hours remaining, 206.882812 MB of memory in use. ENERGY: 641600 732.4641 2073.2046 1947.3219 122.2543 -206173.8866 17836.8827 0.0000 0.0000 34375.6913 -149086.0677 300.2115 -183461.7590 -148996.5972 299.2269 92.1120 119.6413 556734.5519 6.4847 6.6914 PRESSURE: 641800 21.9941 -55.907 78.6131 -55.9062 49.0362 -213.015 78.6129 -213.015 6.51945 GPRESSURE: 641800 50.5391 -158.118 111.793 -81.8186 64.7329 -174.045 68.1353 -205.463 54.8968 PRESSAVG: 641800 25.8462 -0.117714 3.8887 -0.117707 -2.46487 -16.9993 3.88873 -16.9994 -19.8645 GPRESSAVG: 641800 24.7949 -1.12409 3.46736 0.628445 -2.94965 -14.0075 3.98075 -18.3407 -18.2973 TIMING: 641800 CPU: 1856.54, 0.00289818/step Wall: 1856.54, 0.00289818/step, 3.50857 hours remaining, 206.882812 MB of memory in use. ENERGY: 641800 718.8176 2153.9131 1954.4387 110.6870 -206178.7776 17874.5665 0.0000 0.0000 34293.5149 -149072.8398 299.4938 -183366.3547 -148978.5768 299.2078 25.8499 56.7229 557048.8284 1.1723 1.1826 PRESSURE: 642000 -290.719 -19.8948 104.833 -19.8945 -71.0752 -125.551 104.832 -125.553 -607.989 GPRESSURE: 642000 -257.455 -5.11367 34.2608 -63.6679 -66.7318 -210.509 86.4389 -48.6322 -552.821 PRESSAVG: 642000 -73.3285 -34.7925 11.1678 -34.7924 91.4618 -0.901145 11.1678 -0.901137 -76.9713 GPRESSAVG: 642000 -72.8928 -32.8117 10.2856 -38.2282 91.9985 -5.19965 10.7788 1.70604 -77.7781 TIMING: 642000 CPU: 1857.12, 0.002911/step Wall: 1857.12, 0.002911/step, 3.52392 hours remaining, 206.882812 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: 642000 751.1748 2115.4701 1963.3641 113.0242 -205320.5770 17374.1560 0.0000 0.0000 34131.5243 -148871.8636 298.0791 -183003.3879 -148773.9729 299.8722 -323.2611 -292.3359 560173.5283 -19.6126 -19.5575 PRESSURE: 642200 -83.4461 -17.2638 -20.7477 -17.2639 -187.412 28.1947 -20.7475 28.1912 -289.087 GPRESSURE: 642200 -45.0204 -55.1484 -51.6544 7.0951 -144.008 -82.6256 -171.233 4.51076 -272.332 PRESSAVG: 642200 -39.7092 -64.4285 -32.6232 -64.4285 56.2226 -51.9464 -32.6232 -51.9464 -19.9986 GPRESSAVG: 642200 -40.0214 -65.5229 -31.6956 -62.2631 55.714 -48.5602 -31.6695 -52.6064 -19.5365 TIMING: 642200 CPU: 1857.7, 0.00290778/step Wall: 1857.7, 0.00290778/step, 3.51987 hours remaining, 207.085938 MB of memory in use. ENERGY: 642200 761.7753 2080.6798 1955.2564 115.3190 -205871.9104 17535.3239 0.0000 0.0000 34221.4221 -149202.1339 298.8642 -183423.5560 -149107.0455 299.8006 -186.6483 -153.7867 557997.9622 -1.1617 -1.2813 PRESSURE: 642400 159.23 12.3931 268.957 12.3931 66.3461 -5.92261 268.955 -5.92362 -102.816 GPRESSURE: 642400 187.757 32.5821 302.417 -78.4872 65.4928 40.127 168.072 -68.2872 -32.5913 PRESSAVG: 642400 40.7859 -8.01227 29.9435 -8.0123 2.86155 7.87165 29.9435 7.87164 -35.7097 GPRESSAVG: 642400 41.3895 -10.1049 28.3884 -7.7489 2.32117 7.37921 28.6444 6.68738 -36.0623 TIMING: 642400 CPU: 1858.28, 0.00290764/step Wall: 1858.28, 0.00290764/step, 3.51953 hours remaining, 207.085938 MB of memory in use. ENERGY: 642400 764.0780 2100.0476 1956.4938 120.2182 -206389.3063 17829.1203 0.0000 0.0000 34375.8611 -149243.4873 300.2129 -183619.3484 -149142.3365 299.0528 40.9199 73.5528 557273.1985 2.6459 2.5494 PRESSURE: 642600 -82.0437 51.7377 -80.1108 51.7379 -63.5722 32.7801 -80.1111 32.7811 23.7856 GPRESSURE: 642600 -51.5301 79.8942 -63.5251 28.9914 -17.6303 -55.9742 -75.5161 86.2999 40.6002 PRESSAVG: 642600 27.1406 19.8277 49.2198 19.8277 33.0817 32.9073 49.2199 32.9074 -70.4179 GPRESSAVG: 642600 25.9378 21.6633 50.7603 19.0193 33.133 33.0681 49.3349 32.1019 -69.5404 TIMING: 642600 CPU: 1858.86, 0.00291942/step Wall: 1858.86, 0.00291942/step, 3.53363 hours remaining, 207.085938 MB of memory in use. ENERGY: 642600 744.7651 2135.8994 1947.9156 113.0667 -206234.6903 17911.1892 0.0000 0.0000 34070.6266 -149311.2278 297.5473 -183381.8544 -149212.7578 298.5507 -40.6101 -9.5201 557950.5517 -3.3985 -3.4899 PRESSURE: 642800 189.868 25.5503 30.3277 25.5497 -51.4472 5.53773 30.329 5.53927 84.0179 GPRESSURE: 642800 218.708 75.7742 21.1027 23.8309 -61.8991 37.3243 6.89995 -12.1076 162.842 PRESSAVG: 642800 49.1595 1.07138 56.0367 1.07136 -12.3438 29.7121 56.0367 29.712 -38.374 GPRESSAVG: 642800 49.2255 1.41791 54.7226 1.85271 -11.615 30.1039 57.8585 30.5977 -39.083 TIMING: 642800 CPU: 1859.44, 0.00289655/step Wall: 1859.44, 0.00289655/step, 3.50579 hours remaining, 207.085938 MB of memory in use. ENERGY: 642800 689.3574 2129.0014 1942.1278 100.9677 -206461.3429 18001.0849 0.0000 0.0000 34298.5612 -149300.2425 299.5379 -183598.8037 -149196.6575 299.2814 74.1462 106.5503 557264.8254 -0.5194 -0.4908 PRESSURE: 643000 63.9687 6.23508 -53.0143 6.23354 182.383 -23.7286 -53.0149 -23.729 15.467 GPRESSURE: 643000 109.416 1.85681 -64.394 -49.0161 195.84 -95.0996 -25.8932 15.9129 52.8982 PRESSAVG: 643000 3.62827 -71.7839 -22.2631 -71.784 9.40508 9.8211 -22.2632 9.82089 21.7789 GPRESSAVG: 643000 4.62012 -72.818 -21.2697 -72.6689 7.49023 7.4276 -22.8117 13.5133 23.2432 TIMING: 643000 CPU: 1860.02, 0.00289/step Wall: 1860.02, 0.00289/step, 3.4977 hours remaining, 207.085938 MB of memory in use. ENERGY: 643000 759.0203 2072.9198 1966.7560 105.9652 -206625.2608 17963.5179 0.0000 0.0000 34493.6066 -149263.4751 301.2412 -183757.0817 -149167.3914 298.9253 87.2728 119.3847 557642.5075 11.6041 11.7845 PRESSURE: 643200 -112.073 -27.1649 -112.572 -27.1649 46.5945 109.878 -112.571 109.878 86.1705 GPRESSURE: 643200 -68.0274 -60.2591 -30.058 16.6841 26.7525 61.4978 -172.537 65.967 164.193 PRESSAVG: 643200 15.3331 24.2481 -24.021 24.2481 4.20819 -29.2078 -24.0212 -29.2078 -33.0253 GPRESSAVG: 643200 15.9831 23.2062 -25.1712 24.6239 5.89419 -27.0341 -24.1883 -33.1971 -34.3536 TIMING: 643200 CPU: 1860.6, 0.0028857/step Wall: 1860.6, 0.0028857/step, 3.49234 hours remaining, 207.339844 MB of memory in use. ENERGY: 643200 751.8768 2103.6644 1995.2879 140.8842 -206725.5064 18042.1620 0.0000 0.0000 34432.7080 -149258.9231 300.7094 -183691.6310 -149162.6562 299.0876 6.8974 40.9727 558939.1466 -4.4947 -4.1588 PRESSURE: 643400 -457.25 -103.568 -62.64 -103.568 -85.4258 20.5537 -62.641 20.5535 -30.2388 GPRESSURE: 643400 -420.024 -88.3704 -27.9812 -71.6941 -34.2751 93.3635 -111.778 6.77875 -13.3747 PRESSAVG: 643400 10.2896 -15.7319 -11.9629 -15.7319 -12.5648 6.25094 -11.963 6.25102 28.4609 GPRESSAVG: 643400 9.31253 -14.3656 -10.65 -16.6966 -12.6155 8.05288 -12.6078 7.58155 29.5956 TIMING: 643400 CPU: 1861.18, 0.00289587/step Wall: 1861.18, 0.00289587/step, 3.50448 hours remaining, 207.339844 MB of memory in use. ENERGY: 643400 732.7065 2130.0315 1961.5326 123.5666 -206396.9297 17776.8906 0.0000 0.0000 34311.4368 -149360.7650 299.6503 -183672.2018 -149255.0228 299.3477 -190.9715 -155.8912 560514.3001 8.7286 8.7642 PRESSURE: 643600 174.165 49.1777 22.7082 49.1777 -51.4369 -116.656 22.709 -116.654 198.727 GPRESSURE: 643600 157.901 72.7557 34.7855 91.2276 -16.0363 -132.513 72.1319 -158.153 289.406 PRESSAVG: 643600 -43.8605 21.5366 -21.0448 21.5368 28.3589 -40.2478 -21.0448 -40.248 18.8321 GPRESSAVG: 643600 -44.0838 24.1639 -21.6049 20.6652 29.2361 -40.2364 -20.7755 -41.4726 17.9774 TIMING: 643600 CPU: 1861.76, 0.00290066/step Wall: 1861.76, 0.00290066/step, 3.51013 hours remaining, 207.339844 MB of memory in use. ENERGY: 643600 718.8842 2127.9360 1913.3688 92.4184 -206300.2217 17881.3677 0.0000 0.0000 34086.8650 -149479.3816 297.6891 -183566.2466 -149375.7389 298.9038 107.1516 143.7570 557959.0842 1.1102 1.0432 PRESSURE: 643800 -132.002 -31.4599 -59.5895 -31.4608 190.09 -31.7675 -59.5908 -31.7664 58.4465 GPRESSURE: 643800 -117.159 -40.7368 3.27836 -75.431 252.244 -67.7873 -37.0022 46.7344 83.4938 PRESSAVG: 643800 -14.7623 -3.42966 -35.8316 -3.42958 -60.6391 -33.5562 -35.8316 -33.5563 64.4238 GPRESSAVG: 643800 -14.474 -6.67044 -37.4246 -2.65574 -61.6478 -33.7987 -33.8742 -32.3435 65.0066 TIMING: 643800 CPU: 1862.34, 0.00289485/step Wall: 1862.34, 0.00289485/step, 3.50293 hours remaining, 207.339844 MB of memory in use. ENERGY: 643800 739.5672 2174.1443 1933.9564 116.1825 -206591.0893 17964.3202 0.0000 0.0000 34233.3660 -149429.5527 298.9685 -183662.9186 -149325.6967 299.2044 38.8448 72.8596 557766.2037 -3.6592 -3.7051 PRESSURE: 644000 119.479 33.6777 70.0811 33.6772 -41.3401 34.0449 70.0795 34.0444 169.139 GPRESSURE: 644000 159.551 -11.1472 73.8108 139.718 36.724 -12.064 124.523 62.0826 139.169 PRESSAVG: 644000 -8.57693 -30.7549 25.366 -30.7548 3.93765 41.2858 25.3659 41.2859 -15.8798 GPRESSAVG: 644000 -8.83318 -28.7003 27.918 -30.6277 5.26532 38.9003 22.4197 43.0884 -17.1089 TIMING: 644000 CPU: 1862.92, 0.00292583/step Wall: 1862.92, 0.00292583/step, 3.54026 hours remaining, 207.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 644000 755.4209 2101.1599 1928.7148 108.9501 -206655.5435 18056.6696 0.0000 0.0000 34461.0906 -149243.5376 300.9573 -183704.6283 -149149.5657 299.1608 82.4262 111.8146 557005.9487 -6.8397 -6.8922 PRESSURE: 644200 -183.963 12.6759 75.2977 12.6758 64.2491 18.5252 75.2972 18.5257 -161.849 GPRESSURE: 644200 -147.684 101.598 82.1506 -17.5905 25.9805 38.9684 118.455 97.2569 -65.8784 PRESSAVG: 644200 18.3517 -29.8284 -13.4201 -29.8284 -12.7953 -3.6778 -13.42 -3.67795 -34.5947 GPRESSAVG: 644200 17.6193 -29.7166 -12.8059 -30.3988 -13.2284 -0.076579 -13.2257 -6.16941 -33.387 TIMING: 644200 CPU: 1863.5, 0.00290698/step Wall: 1863.5, 0.00290698/step, 3.51728 hours remaining, 207.339844 MB of memory in use. ENERGY: 644200 782.2199 2118.7793 1927.4260 124.9002 -206444.2373 17919.0541 0.0000 0.0000 34486.9350 -149084.9227 301.1830 -183571.8577 -148979.1647 299.4607 -93.8544 -62.5273 559032.4823 -9.6794 -9.6654 LDB: ============= START OF LOAD BALANCING ============== 1866.89 LDB: ============== END OF LOAD BALANCING =============== 1866.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1866.89 LDB: ============= START OF LOAD BALANCING ============== 1867.18 LDB: Largest compute 4820 load 0.027872 is 23.7% of average load 0.117783 LDB: Average compute 0.001711 is 1.5% of average load 0.117783 LDB: TIME 1867.18 LOAD: AVG 0.117783 MAX 0.186897 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.914 MB LDB: TIME 1867.18 LOAD: AVG 0.117783 MAX 0.186897 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.012 MB LDB: TIME 1867.18 LOAD: AVG 0.117783 MAX 0.186897 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.012 MB LDB: ============== END OF LOAD BALANCING =============== 1867.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1867.19 PRESSURE: 644400 -93.2288 -49.8603 -298.063 -49.8595 -154.129 78.4562 -298.064 78.4554 -274.583 GPRESSURE: 644400 -50.4184 9.31437 -257.634 -15.4615 -123.445 137.33 -289.994 -25.571 -243.071 PRESSAVG: 644400 62.8608 -0.865022 -45.9399 -0.864988 2.20336 44.3314 -45.9399 44.3313 -73.3872 GPRESSAVG: 644400 64.8173 -0.310237 -47.2575 -1.43116 2.09295 42.4158 -43.717 45.0599 -74.8205 TIMING: 644400 CPU: 1864.09, 0.00293683/step Wall: 1864.09, 0.00293683/step, 3.55324 hours remaining, 207.464844 MB of memory in use. ENERGY: 644400 752.5672 2084.0999 1946.7263 100.4097 -206125.9680 17695.0562 0.0000 0.0000 34481.4792 -149065.6294 301.1353 -183547.1086 -148970.5737 299.8948 -173.9803 -138.9779 560643.4483 -2.7743 -2.6368 PRESSURE: 644600 -11.6356 -89.0199 92.3694 -89.0201 81.8735 172.255 92.3689 172.255 -259.341 GPRESSURE: 644600 29.5861 -121.786 37.9208 -145.718 115.197 120.038 116.572 233.752 -241.883 PRESSAVG: 644600 -30.4332 -27.2678 20.0055 -27.2679 102.166 10.204 20.0055 10.204 -43.7551 GPRESSAVG: 644600 -31.837 -28.4539 17.8507 -26.319 102.478 9.13599 19.8876 9.07813 -42.921 TIMING: 644600 CPU: 1864.67, 0.00291242/step Wall: 1864.67, 0.00291242/step, 3.52354 hours remaining, 207.484375 MB of memory in use. ENERGY: 644600 777.0112 2074.4972 1942.5812 114.2169 -206115.7267 17764.9477 0.0000 0.0000 34319.3756 -149123.0969 299.7196 -183442.4725 -149022.0618 299.4434 -63.0343 -32.3667 558850.4796 9.3260 9.2399 PRESSURE: 644800 13.1868 -160.955 -25.665 -160.954 29.8308 109.542 -25.666 109.542 -95.244 GPRESSURE: 644800 69.5396 -138.017 -57.1721 -128.354 107.324 -0.194325 27.0665 140.79 -146.714 PRESSAVG: 644800 -46.8742 -70.2152 -31.4818 -70.2152 28.326 21.255 -31.4818 21.2551 -9.73489 GPRESSAVG: 644800 -46.8383 -69.3516 -28.9639 -70.3368 29.3286 20.7143 -31.0744 23.0403 -10.8095 TIMING: 644800 CPU: 1865.25, 0.00290138/step Wall: 1865.25, 0.00290138/step, 3.51002 hours remaining, 207.484375 MB of memory in use. ENERGY: 644800 769.0232 2081.6855 1959.5287 113.4252 -206370.9949 18051.5850 0.0000 0.0000 34344.6926 -149051.0547 299.9407 -183395.7472 -148946.7842 298.9904 -17.4088 10.0500 559527.5616 -9.4277 -9.4398 PRESSURE: 645000 46.2178 -134.131 83.6578 -134.132 109.68 -28.2697 83.6573 -28.2688 -97.6832 GPRESSURE: 645000 70.5688 -172.865 99.788 -135.121 156.636 34.256 132.787 -40.3546 -72.9348 PRESSAVG: 645000 37.0489 -37.9394 16.4778 -37.9394 -17.0313 8.62412 16.4777 8.62418 32.5902 GPRESSAVG: 645000 38.3898 -38.5809 15.5511 -40.1881 -19.2611 8.8379 14.968 7.6102 33.4645 TIMING: 645000 CPU: 1865.83, 0.00287923/step Wall: 1865.83, 0.00287923/step, 3.48307 hours remaining, 207.679688 MB of memory in use. ENERGY: 645000 757.2863 2094.5436 1974.9354 113.1329 -206273.9273 17904.4100 0.0000 0.0000 34367.5580 -149062.0611 300.1404 -183429.6191 -148963.4567 299.6869 19.4048 51.4233 558216.6423 17.5359 17.5311 PRESSURE: 645200 5.81966 77.3512 16.2016 77.3525 -227.455 -98.0968 16.2007 -98.0971 106.754 GPRESSURE: 645200 26.3727 168.591 33.8698 -0.79607 -169.517 -111.706 21.5338 -98.3052 125.77 PRESSAVG: 645200 51.6655 26.5215 -23.3023 26.5214 -16.5037 8.12711 -23.3023 8.12714 -17.4745 GPRESSAVG: 645200 50.9483 26.3267 -23.3476 27.5205 -16.0759 8.37832 -21.9932 6.40879 -16.9391 TIMING: 645200 CPU: 1866.41, 0.00289761/step Wall: 1866.41, 0.00289761/step, 3.50514 hours remaining, 207.679688 MB of memory in use. ENERGY: 645200 736.7528 2037.5607 1955.5512 102.9183 -206008.5950 17806.9187 0.0000 0.0000 34362.3358 -149006.5575 300.0948 -183368.8933 -148909.8084 299.8638 -38.2940 -5.7914 558858.2572 5.8958 5.9778 PRESSURE: 645400 -215.703 -44.015 165.986 -44.0148 -156.909 15.5292 165.987 15.5287 243.014 GPRESSURE: 645400 -135.372 -76.3225 162.308 -88.7894 -134.627 -53.9283 215.983 -19.7939 238.612 PRESSAVG: 645400 -5.50773 -3.56722 25.3383 -3.56716 -62.2667 39.7924 25.3382 39.7924 25.4182 GPRESSAVG: 645400 -5.84635 -1.96722 23.3893 -3.35407 -61.718 40.2599 26.7796 41.5886 25.4775 TIMING: 645400 CPU: 1866.99, 0.00292436/step Wall: 1866.99, 0.00292436/step, 3.53734 hours remaining, 207.679688 MB of memory in use. ENERGY: 645400 740.2310 2113.0772 1920.0215 113.6026 -206023.9126 17765.4104 0.0000 0.0000 34262.0974 -149109.4725 299.2194 -183371.5699 -149016.2607 299.1899 -43.1994 -10.4624 558246.2273 -14.1187 -14.0289 PRESSURE: 645600 147.708 6.34905 -115.729 6.34952 97.8884 -234.675 -115.729 -234.673 379.396 GPRESSURE: 645600 130.016 52.0663 -95.0034 21.0502 158.132 -228.82 -121.832 -328.809 420.222 PRESSAVG: 645600 -34.0975 25.7144 -31.8342 25.7144 -16.3612 -11.0638 -31.8342 -11.0636 66.976 GPRESSAVG: 645600 -33.9046 24.3327 -29.748 25.0476 -16.8653 -11.4561 -33.4027 -11.0309 67.6798 TIMING: 645600 CPU: 1867.58, 0.00290491/step Wall: 1867.58, 0.00290491/step, 3.51365 hours remaining, 207.679688 MB of memory in use. ENERGY: 645600 719.0954 2085.1310 1927.7401 108.3139 -206245.8357 18135.0947 0.0000 0.0000 34139.0239 -149131.4366 298.1446 -183270.4606 -149031.3408 298.9131 208.3308 236.1235 557988.9468 5.5057 5.6367 PRESSURE: 645800 111.342 23.6133 -19.5234 23.6136 148.342 -20.8327 -19.5226 -20.8318 68.6269 GPRESSURE: 645800 115.627 40.433 -12.6172 97.0142 205.734 95.659 -44.4735 -76.9466 104.561 PRESSAVG: 645800 -29.2892 10.7966 3.92867 10.7967 -19.9612 -55.3002 3.92871 -55.3002 40.7813 GPRESSAVG: 645800 -31.0631 8.82318 4.48859 13.343 -18.6205 -54.478 4.18342 -56.094 40.5315 TIMING: 645800 CPU: 1868.16, 0.00291083/step Wall: 1868.16, 0.00291083/step, 3.52065 hours remaining, 207.679688 MB of memory in use. ENERGY: 645800 722.8219 2069.6559 1909.0429 114.3334 -206006.6006 17951.9392 0.0000 0.0000 34280.8425 -148957.9647 299.3831 -183238.8073 -148863.3238 299.2281 109.4370 141.9740 557567.6960 -2.8230 -3.0507 PRESSURE: 646000 131.735 -255.516 -77.1545 -255.515 -369.566 -18.251 -77.1548 -18.2528 -154.021 GPRESSURE: 646000 113.393 -260.827 16.3196 -223.186 -328.552 -22.0673 -1.2484 -20.9639 -89.1154 PRESSAVG: 646000 18.4546 -70.2185 -45.0027 -70.2185 -70.7394 -29.4671 -45.0026 -29.4673 64.2242 GPRESSAVG: 646000 20.1953 -70.4881 -43.1543 -70.6262 -73.4208 -30.2391 -45.848 -29.0697 64.8627 TIMING: 646000 CPU: 1868.74, 0.00290438/step Wall: 1868.74, 0.00290439/step, 3.51269 hours remaining, 207.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 646000 726.3087 2081.5238 1915.1900 121.7317 -205524.6886 17522.7125 0.0000 0.0000 34254.5433 -148902.6787 299.1534 -183157.2220 -148813.0248 300.0454 -130.6172 -101.4248 559347.0365 3.9798 3.8791 PRESSURE: 646200 131.445 58.1268 -186.329 58.1271 46.1939 137.079 -186.329 137.08 120.916 GPRESSURE: 646200 134.965 42.4189 -215.969 58.2129 69.1999 173.66 -296.374 95.8429 182.725 PRESSAVG: 646200 10.2726 -8.40917 -72.4417 -8.4092 -28.2387 -24.2586 -72.4416 -24.2587 41.6318 GPRESSAVG: 646200 9.48806 -6.07042 -74.0077 -9.22105 -26.7526 -23.9152 -73.5225 -22.2137 40.6606 TIMING: 646200 CPU: 1869.32, 0.0029102/step Wall: 1869.32, 0.0029102/step, 3.51956 hours remaining, 207.679688 MB of memory in use. ENERGY: 646200 713.5401 2040.9465 1935.9049 126.3175 -206218.0043 17889.7713 0.0000 0.0000 34377.1524 -149134.3716 300.2242 -183511.5240 -149041.9848 299.5050 99.5183 128.9632 556251.1906 7.8886 7.7987 PRESSURE: 646400 87.8324 -27.6822 -104.042 -27.6827 176.39 -98.9831 -104.041 -98.9836 164.112 GPRESSURE: 646400 102.876 -69.4048 -109.327 -31.4556 191.666 -26.4805 -134.473 -136.552 235.134 PRESSAVG: 646400 -14.0994 4.38562 -12.0575 4.38556 -19.2088 5.36776 -12.0575 5.3677 20.0868 GPRESSAVG: 646400 -14.254 3.37997 -12.2226 6.31432 -19.4173 4.64649 -10.7018 3.78414 20.4581 TIMING: 646400 CPU: 1869.9, 0.00291721/step Wall: 1869.9, 0.00291721/step, 3.52788 hours remaining, 207.679688 MB of memory in use. ENERGY: 646400 769.6765 2040.0811 1941.4099 115.4101 -206616.5531 18092.4315 0.0000 0.0000 34509.9452 -149147.5987 301.3839 -183657.5439 -149052.1405 300.1941 142.7778 176.5587 554835.5005 -4.4071 -4.4044 PRESSURE: 646600 178.909 -76.8168 -45.141 -76.817 37.2536 -79.6903 -45.1414 -79.6888 148.366 GPRESSURE: 646600 182.405 -50.8129 -75.9857 -39.1084 109.796 -14.3144 36.3156 -122.238 179.477 PRESSAVG: 646600 -54.6631 45.9217 -43.5686 45.9217 1.8151 27.7614 -43.5687 27.7614 36.1898 GPRESSAVG: 646600 -53.9145 45.7568 -42.466 43.5397 1.25077 28.8006 -45.211 28.0896 35.8137 TIMING: 646600 CPU: 1870.49, 0.00292264/step Wall: 1870.49, 0.00292264/step, 3.53429 hours remaining, 207.679688 MB of memory in use. ENERGY: 646600 760.6923 2034.2104 1944.4030 115.9894 -206031.8001 17788.7745 0.0000 0.0000 34146.6689 -149241.0616 298.2114 -183387.7305 -149148.4762 298.7343 121.5097 157.2261 555322.1348 -5.5527 -5.6167 PRESSURE: 646800 -32.1836 21.5378 -22.7709 21.5371 -326.869 -53.4159 -22.7688 -53.4139 -439.71 GPRESSURE: 646800 -18.6469 110.154 -171.431 34.4103 -301.697 0.789065 64.2574 -50.9346 -391.524 PRESSAVG: 646800 -65.8727 -21.1397 -27.6234 -21.1397 -18.6909 40.9898 -27.6236 40.9898 82.5855 GPRESSAVG: 646800 -65.7334 -21.4157 -30.3721 -20.1815 -19.2772 39.6371 -24.5186 41.0056 82.5639 TIMING: 646800 CPU: 1871.07, 0.00290539/step Wall: 1871.07, 0.00290539/step, 3.51326 hours remaining, 207.679688 MB of memory in use. ENERGY: 646800 722.2770 2053.6100 1949.2193 114.5037 -205453.7099 17142.0824 0.0000 0.0000 34130.4962 -149341.5214 298.0701 -183472.0176 -149249.7084 298.6843 -266.2544 -237.2891 557357.6641 -0.6594 -0.8156 PRESSURE: 647000 -14.2337 -48.4754 12.5098 -48.4749 -93.197 -24.3209 12.51 -24.3212 -1.62061 GPRESSURE: 647000 -19.1064 -31.227 -3.33593 -0.624682 -20.4275 41.8766 64.1391 -17.1268 39.7363 PRESSAVG: 647000 -23.1648 -57.2304 13.0025 -57.2304 -24.7283 3.73251 13.0025 3.73251 83.6433 GPRESSAVG: 647000 -24.7745 -56.8096 14.1449 -58.0262 -23.5374 4.99904 12.0483 2.92375 84.4445 TIMING: 647000 CPU: 1871.65, 0.00288808/step Wall: 1871.65, 0.00288808/step, 3.49218 hours remaining, 207.679688 MB of memory in use. ENERGY: 647000 739.0508 2087.1918 1940.5991 110.6960 -206075.5062 17558.0256 0.0000 0.0000 34300.7719 -149339.1711 299.5572 -183639.9430 -149246.8188 298.6281 -36.3504 0.0675 556276.7705 11.9168 12.0442 PRESSURE: 647200 52.5575 -76.6614 -70.1114 -76.6601 49.2622 26.9093 -70.1108 26.9093 52.0955 GPRESSURE: 647200 113.09 -111.648 -58.0304 -2.73814 97.2538 37.4455 -93.2448 126.224 49.7599 PRESSAVG: 647200 3.8335 -44.2406 -23.7462 -44.2405 -8.14969 -6.66801 -23.7463 -6.66791 -3.11075 GPRESSAVG: 647200 4.36849 -44.9679 -22.8187 -44.6376 -8.15113 -8.8939 -24.8598 -4.46069 -3.28329 TIMING: 647200 CPU: 1872.23, 0.00289223/step Wall: 1872.23, 0.00289223/step, 3.49703 hours remaining, 207.679688 MB of memory in use. ENERGY: 647200 750.3704 2102.9476 1953.5755 124.0067 -206489.5907 17945.1837 0.0000 0.0000 34183.6409 -149429.8658 298.5342 -183613.5067 -149340.3529 298.4991 51.3051 86.7011 556020.8940 -2.4756 -2.3553 PRESSURE: 647400 78.5989 -80.228 -176.501 -80.2284 145.912 -12.2048 -176.501 -12.2046 6.51255 GPRESSURE: 647400 108.605 7.32558 -111.777 -86.9294 206.443 -81.8179 -272.801 14.2889 3.65711 PRESSAVG: 647400 -45.212 -18.4926 -12.6676 -18.4925 51.41 -14.2975 -12.6676 -14.2974 22.3355 GPRESSAVG: 647400 -44.9552 -18.2665 -12.3101 -17.7069 51.9269 -10.0195 -13.495 -15.1277 21.0449 TIMING: 647400 CPU: 1872.8, 0.00289392/step Wall: 1872.8, 0.00289392/step, 3.49891 hours remaining, 207.679688 MB of memory in use. ENERGY: 647400 741.9505 2025.7065 1948.9122 117.2277 -206219.7153 17881.4029 0.0000 0.0000 34269.8896 -149234.6260 299.2875 -183504.5156 -149149.5828 299.1401 77.0077 106.2349 556322.9355 9.5112 9.3389 PRESSURE: 647600 -19.1454 58.3139 -5.12157 58.3151 357.944 -57.1301 -5.12121 -57.1302 37.3876 GPRESSURE: 647600 -10.7536 133.745 -28.7184 118.209 388.726 -35.1661 11.1531 -81.4633 79.0007 PRESSAVG: 647600 -43.7926 -52.3848 -41.6911 -52.3848 51.6683 2.91824 -41.691 2.91837 31.5248 GPRESSAVG: 647600 -43.4959 -52.2967 -45.1785 -53.222 51.5451 -0.098026 -39.9013 2.09115 30.7848 TIMING: 647600 CPU: 1873.38, 0.00288968/step Wall: 1873.38, 0.00288968/step, 3.49362 hours remaining, 207.679688 MB of memory in use. ENERGY: 647600 721.5931 2089.0632 1951.5647 109.4283 -206192.5126 17924.3299 0.0000 0.0000 34040.2590 -149356.2744 297.2820 -183396.5333 -149261.9470 298.8858 125.3954 152.3244 557026.9325 13.1335 12.9447 PRESSURE: 647800 -136.466 30.5106 74.6979 30.5108 -30.7655 -16.5188 74.6978 -16.5192 50.0712 GPRESSURE: 647800 -109.279 16.9959 89.9119 13.7866 8.6461 -137.211 -12.9271 -16.8367 83.5707 PRESSAVG: 647800 -26.4035 -32.5466 -9.15738 -32.5465 -28.2616 -29.6798 -9.15745 -29.6799 68.6283 GPRESSAVG: 647800 -25.5977 -33.3119 -6.22452 -33.2083 -28.7624 -28.4807 -10.7062 -30.8798 68.9412 TIMING: 647800 CPU: 1873.97, 0.00291669/step Wall: 1873.97, 0.00291669/step, 3.52612 hours remaining, 207.679688 MB of memory in use. ENERGY: 647800 731.7432 2062.0131 1966.1548 109.0059 -206353.6986 17756.5903 0.0000 0.0000 34460.1216 -149268.0698 300.9488 -183728.1913 -149176.3275 298.6083 -39.0534 -5.6875 555341.3790 4.6544 4.8604 PRESSURE: 648000 38.5936 61.5234 -36.5881 61.5237 40.7735 -65.6179 -36.5899 -65.6183 21.6166 GPRESSURE: 648000 118.637 52.8414 73.242 119.273 81.2071 -77.5961 -44.0642 -69.9648 -1.84824 PRESSAVG: 648000 -14.8877 -18.3233 -73.8537 -18.3233 -3.89623 22.3138 -73.8538 22.3138 11.6296 GPRESSAVG: 648000 -15.2898 -14.4368 -74.2054 -19.8807 -3.06709 21.5456 -73.9588 24.2671 11.7371 TIMING: 648000 CPU: 1874.55, 0.00292937/step Wall: 1874.55, 0.00292937/step, 3.54129 hours remaining, 207.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 648000 744.2006 2087.5289 1950.0606 108.8583 -206520.4685 17946.9586 0.0000 0.0000 34477.3715 -149205.4900 301.0995 -183682.8615 -149109.0839 298.8732 33.6613 65.9986 556651.4915 -2.3848 -2.2066 PRESSURE: 648200 20.2312 64.9035 -35.3245 64.9038 -159.336 60.8511 -35.3248 60.8504 -82.3551 GPRESSURE: 648200 -26.1274 34.9958 27.1765 144.712 -101.714 192.035 -7.67983 -34.0547 -2.29777 PRESSAVG: 648200 5.82092 16.1798 -27.1079 16.1798 48.9066 -38.5415 -27.1079 -38.5416 -38.5955 GPRESSAVG: 648200 4.56044 12.6412 -26.1192 18.5808 50.0121 -37.3123 -24.4339 -38.9587 -38.6151 TIMING: 648200 CPU: 1875.13, 0.00289085/step Wall: 1875.13, 0.00289085/step, 3.49455 hours remaining, 207.812500 MB of memory in use. ENERGY: 648200 776.6466 2085.4071 1937.3296 114.8995 -206098.8627 17804.2262 0.0000 0.0000 34244.9486 -149135.4051 299.0697 -183380.3537 -149039.3258 299.2733 -73.8201 -43.3796 557364.3394 5.3773 5.3191 LDB: ============= START OF LOAD BALANCING ============== 1878.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1878.52 LDB: =============== DONE WITH MIGRATION ================ 1878.52 LDB: ============= START OF LOAD BALANCING ============== 1878.81 LDB: Largest compute 4820 load 0.028484 is 24.2% of average load 0.117888 LDB: Average compute 0.001716 is 1.5% of average load 0.117888 LDB: TIME 1878.81 LOAD: AVG 0.117888 MAX 0.186955 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.668 MB LDB: TIME 1878.81 LOAD: AVG 0.117888 MAX 0.186955 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: TIME 1878.81 LOAD: AVG 0.117888 MAX 0.186955 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1878.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1878.82 PRESSURE: 648400 -35.9394 -31.7274 -17.8815 -31.7258 73.5755 -18.1712 -17.8815 -18.1712 -83.8148 GPRESSURE: 648400 18.9428 -70.2416 -42.086 -63.0946 17.5461 37.1668 -2.6018 -12.862 11.7553 PRESSAVG: 648400 16.222 56.4747 -30.7963 56.4747 -49.2361 7.17635 -30.7961 7.1763 15.4294 GPRESSAVG: 648400 17.9316 57.4541 -32.4554 55.2346 -51.3122 5.61402 -32.3181 6.94904 16.3291 TIMING: 648400 CPU: 1875.72, 0.00297434/step Wall: 1875.72, 0.00297434/step, 3.59532 hours remaining, 205.468750 MB of memory in use. ENERGY: 648400 775.1905 2042.5069 1957.1455 104.4097 -206346.2330 18000.9649 0.0000 0.0000 34365.9502 -149100.0653 300.1264 -183466.0155 -149002.1668 299.5757 -15.3929 16.0814 558910.4786 -5.8616 -5.6838 PRESSURE: 648600 -279.602 -20.3475 98.0675 -20.3481 57.9285 -2.17315 98.0679 -2.17269 -219.926 GPRESSURE: 648600 -225.094 8.66682 143.323 8.99552 61.3968 49.3685 18.877 -75.302 -199.309 PRESSAVG: 648600 13.562 -2.78235 1.32409 -2.78231 -43.3751 -14.6538 1.32426 -14.6537 29.6443 GPRESSAVG: 648600 12.5443 -2.42879 2.22141 -2.26244 -42.5384 -13.9987 -1.3861 -14.176 30.0484 TIMING: 648600 CPU: 1876.31, 0.002933/step Wall: 1876.31, 0.002933/step, 3.54518 hours remaining, 205.468750 MB of memory in use. ENERGY: 648600 770.1345 2106.0575 1953.0770 111.1438 -205858.1308 17528.1020 0.0000 0.0000 34231.9043 -149157.7117 298.9557 -183389.6160 -149064.1458 300.4209 -147.1997 -121.0020 557287.7580 -0.0563 0.0181 PRESSURE: 648800 37.5487 -37.1678 -61.4557 -37.1655 -32.0194 85.6091 -61.454 85.6093 154.462 GPRESSURE: 648800 92.2344 -147.299 -80.9126 58.4285 5.46979 63.7164 -87.6295 29.2121 160.419 PRESSAVG: 648800 67.0682 11.7151 -38.2514 11.7151 27.2565 43.5276 -38.2514 43.5275 -72.0734 GPRESSAVG: 648800 68.043 8.63691 -37.4902 14.3185 27.4684 45.3382 -36.6847 39.0264 -73.9519 TIMING: 648800 CPU: 1876.89, 0.00290675/step Wall: 1876.89, 0.00290674/step, 3.51329 hours remaining, 205.468750 MB of memory in use. ENERGY: 648800 736.5767 2111.9384 1939.8027 112.1255 -206403.9198 17999.8933 0.0000 0.0000 34427.8145 -149075.7687 300.6667 -183503.5832 -148972.9117 299.9514 53.3305 86.0411 556559.9772 7.4171 7.1865 PRESSURE: 649000 -72.2191 69.522 99.0171 69.5212 -315.073 -93.6584 99.0173 -93.6588 -170 GPRESSURE: 649000 -58.2613 61.2858 52.0537 45.2122 -276.677 -16.852 135.84 -98.133 -122.409 PRESSAVG: 649000 27.1083 11.8036 -19.4832 11.8035 34.6234 -36.6612 -19.4831 -36.6613 -31.4809 GPRESSAVG: 649000 25.8048 15.8106 -20.19 8.68592 35.924 -41.0887 -19.1726 -31.825 -30.8374 TIMING: 649000 CPU: 1877.47, 0.00291077/step Wall: 1877.47, 0.00291077/step, 3.51799 hours remaining, 205.468750 MB of memory in use. ENERGY: 649000 726.7179 2116.1111 1955.6636 109.4058 -206009.2613 17623.0751 0.0000 0.0000 34229.7766 -149248.5112 298.9372 -183478.2878 -149153.3620 299.8119 -185.7642 -152.4490 559203.6532 10.0836 10.2971 PRESSURE: 649200 0.925006 55.0693 -76.1503 55.0692 9.64647 -102.66 -76.1516 -102.66 15.343 GPRESSURE: 649200 76.0901 44.649 -51.8703 47.809 -44.0069 -4.20537 -126.222 -128.021 89.5174 PRESSAVG: 649200 -10.2174 -51.4356 -4.47825 -51.4356 50.6091 -25.1883 -4.4783 -25.1884 -32.6183 GPRESSAVG: 649200 -9.74643 -53.9985 -3.8068 -51.3333 49.8587 -24.9286 -5.69858 -25.9531 -32.2328 TIMING: 649200 CPU: 1878.06, 0.00291386/step Wall: 1878.06, 0.00291386/step, 3.52156 hours remaining, 205.468750 MB of memory in use. ENERGY: 649200 755.6786 2071.3703 1902.0775 104.9836 -206297.2996 17804.4010 0.0000 0.0000 34403.1979 -149255.5906 300.4517 -183658.7885 -149168.2122 299.0766 8.6382 40.5335 556583.5785 2.5911 2.6265 PRESSURE: 649400 -182.838 46.2082 -20.0541 46.2075 -132.52 -26.9162 -20.0534 -26.9176 -88.6101 GPRESSURE: 649400 -142.789 141.732 -89.3552 11.1896 -128.352 -38.0787 -55.594 -64.9228 -37.8847 PRESSAVG: 649400 13.2678 -56.3426 3.32207 -56.3426 -33.0847 0.59042 3.32216 0.590301 49.0047 GPRESSAVG: 649400 12.8434 -57.7782 1.82456 -54.9914 -32.1851 2.46191 3.53919 -0.0721042 48.5324 TIMING: 649400 CPU: 1878.64, 0.00290275/step Wall: 1878.64, 0.00290275/step, 3.50797 hours remaining, 205.468750 MB of memory in use. ENERGY: 649400 774.4748 2062.4541 1936.3065 114.8472 -205774.2181 17638.3113 0.0000 0.0000 33961.0669 -149286.7573 296.5904 -183247.8242 -149194.0061 299.1508 -134.6559 -103.0086 558831.5696 9.7293 9.7302 PRESSURE: 649600 -56.3419 -17.5557 11.1336 -17.557 -108.857 7.05347 11.1333 7.05488 -132.16 GPRESSURE: 649600 -10.0314 -67.8918 -119.948 -8.74367 -36.0427 -26.2854 53.544 4.93046 -142.541 PRESSAVG: 649600 -23.9534 25.8945 -79.0886 25.8945 28.9124 33.1952 -79.0886 33.1952 -5.29689 GPRESSAVG: 649600 -23.9375 28.0606 -78.3945 23.8375 27.8202 33.2967 -77.834 32.4442 -4.26545 TIMING: 649600 CPU: 1879.23, 0.00294798/step Wall: 1879.23, 0.00294798/step, 3.56246 hours remaining, 205.468750 MB of memory in use. ENERGY: 649600 727.4089 2049.6522 1921.3479 99.1895 -206165.1547 17711.2252 0.0000 0.0000 34493.7162 -149162.6148 301.2422 -183656.3310 -149066.2612 298.5472 -99.1195 -62.8717 558320.4618 -0.1126 -0.1276 PRESSURE: 649800 -17.0734 -121.447 143.917 -121.447 -78.7513 -15.7165 143.916 -15.7156 151.618 GPRESSURE: 649800 69.3446 -120.769 173.396 -147.007 -37.3769 51.8997 165.654 -35.9662 125.134 PRESSAVG: 649800 58.4108 -12.167 -49.9957 -12.167 -45.0856 38.2917 -49.9958 38.2917 5.02171 GPRESSAVG: 649800 59.1735 -11.4214 -49.7843 -11.7703 -45.3398 39.4309 -49.9085 37.7977 4.61232 TIMING: 649800 CPU: 1879.81, 0.00292899/step Wall: 1879.81, 0.00292899/step, 3.53936 hours remaining, 205.468750 MB of memory in use. ENERGY: 649800 773.1064 2041.3329 1939.5845 113.5443 -206023.1371 17782.9678 0.0000 0.0000 34147.8575 -149224.7437 298.2217 -183372.6012 -149134.4355 299.5648 18.5978 52.3673 556257.5596 6.1156 6.1487 PRESSURE: 650000 305.133 3.65266 2.6758 3.65252 16.2471 108.667 2.67608 108.667 110.2 GPRESSURE: 650000 298.566 -81.5455 15.1135 15.487 84.4242 205.213 -44.449 71.1455 144.031 PRESSAVG: 650000 -11.3397 40.3678 47.2045 40.3678 67.809 37.1234 47.2045 37.1234 -65.0834 GPRESSAVG: 650000 -10.9518 42.4399 47.8793 39.3117 68.0634 35.6555 46.3326 38.2172 -65.5392 TIMING: 650000 CPU: 1880.39, 0.00290494/step Wall: 1880.39, 0.00290494/step, 3.51013 hours remaining, 205.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 650000 728.5029 2085.2021 1926.0426 107.9705 -206257.2486 17800.7959 0.0000 0.0000 34437.2813 -149171.4533 300.7493 -183608.7346 -149071.3674 299.4727 143.8601 175.6738 555742.7437 -2.8714 -2.8092 PRESSURE: 650200 -273.921 -22.5509 -32.0802 -22.5515 58.0937 113.912 -32.0807 113.914 -232.389 GPRESSURE: 650200 -250.408 -43.8308 -20.5639 53.6171 109.477 56.7058 -126.729 140.713 -204.476 PRESSAVG: 650200 27.1728 -28.9868 -6.28442 -28.9868 57.7225 -48.7479 -6.28446 -48.7478 -56.6853 GPRESSAVG: 650200 26.6668 -29.9201 -5.30747 -27.4431 58.1454 -49.9869 -8.13174 -49.4624 -56.6345 TIMING: 650200 CPU: 1880.98, 0.00292379/step Wall: 1880.98, 0.00292379/step, 3.53275 hours remaining, 205.468750 MB of memory in use. ENERGY: 650200 717.9087 2144.7130 1922.0758 112.1747 -205857.4714 17648.1970 0.0000 0.0000 34233.5949 -149078.8072 298.9705 -183312.4021 -148974.2873 299.7687 -149.4056 -115.1358 558853.9857 9.4033 9.3926 PRESSURE: 650400 -164.703 -44.8688 53.3371 -44.8676 -437.848 23.8991 53.3379 23.8991 -315.708 GPRESSURE: 650400 -76.2919 -24.0182 98.5026 62.3162 -469.683 19.193 58.161 63.2061 -264.2 PRESSAVG: 650400 -16.6135 -25.8266 -32.76 -25.8267 -16.2699 0.783952 -32.76 0.783821 7.47469 GPRESSAVG: 650400 -16.4479 -28.2024 -32.8439 -24.8216 -15.8549 2.28131 -30.5064 -0.334012 7.8232 TIMING: 650400 CPU: 1881.56, 0.00290505/step Wall: 1881.56, 0.00290505/step, 3.50994 hours remaining, 205.468750 MB of memory in use. ENERGY: 650400 792.9544 2060.2115 1913.7751 102.2634 -205422.2343 17294.5374 0.0000 0.0000 34157.0068 -149101.4857 298.3016 -183258.4925 -149006.3939 299.0313 -306.0861 -270.0582 558012.0839 -8.4696 -8.1599 PRESSURE: 650600 -23.2349 -48.2592 77.2456 -48.2594 -0.254724 114.018 77.2457 114.019 -124.098 GPRESSURE: 650600 -84.9541 -139.636 93.8545 -45.5305 71.1023 68.5836 -5.0605 99.0192 -34.8413 PRESSAVG: 650600 73.1104 -42.4699 -35.4132 -42.4699 -21.8024 63.5759 -35.4131 63.576 -29.6384 GPRESSAVG: 650600 72.967 -42.9356 -36.0185 -41.1936 -21.5487 62.8534 -37.014 65.7864 -29.5879 TIMING: 650600 CPU: 1882.14, 0.00289993/step Wall: 1882.14, 0.00289993/step, 3.5036 hours remaining, 205.468750 MB of memory in use. ENERGY: 650600 744.7303 2084.4040 1957.5956 116.8391 -206441.1761 17717.7107 0.0000 0.0000 34508.6405 -149311.2559 301.3725 -183819.8964 -149217.6156 299.3984 -49.1957 -16.2310 555654.6324 7.2232 7.2768 PRESSURE: 650800 -36.9828 -79.5393 31.5574 -79.5382 -89.5625 -52.1759 31.5569 -52.1761 28.227 GPRESSURE: 650800 -6.55511 5.27301 36.8479 -114.933 -75.2734 -69.4614 64.9625 10.0768 74.2959 PRESSAVG: 650800 -11.5861 18.0314 -18.3938 18.0315 55.6588 -1.22815 -18.3938 -1.22806 -59.2085 GPRESSAVG: 650800 -11.3478 19.8518 -19.2737 15.4682 55.398 -1.49027 -16.0346 -0.119784 -58.7547 TIMING: 650800 CPU: 1882.72, 0.00289848/step Wall: 1882.72, 0.00289848/step, 3.50168 hours remaining, 205.468750 MB of memory in use. ENERGY: 650800 721.9942 2073.3279 1951.8793 119.3798 -206019.3846 17744.5430 0.0000 0.0000 34114.0484 -149294.2121 297.9265 -183408.2604 -149197.4623 299.1304 -32.7728 -2.5109 557406.0444 -5.0453 -4.9015 PRESSURE: 651000 10.508 66.4552 -153.379 66.454 -263.128 -92.8981 -153.379 -92.898 -145.107 GPRESSURE: 651000 42.2162 28.7581 -131.614 114.667 -250.987 -83.1555 -118.491 -13.2338 -112.835 PRESSAVG: 651000 26.9611 36.857 -19.727 36.857 9.30064 -34.5976 -19.727 -34.5976 -63.413 GPRESSAVG: 651000 26.8547 36.8952 -20.2555 36.8739 8.81726 -32.4909 -20.0315 -38.0924 -63.5364 TIMING: 651000 CPU: 1883.3, 0.00289088/step Wall: 1883.3, 0.00289088/step, 3.49234 hours remaining, 205.468750 MB of memory in use. ENERGY: 651000 742.6281 2099.8065 1905.2002 101.9192 -205962.1438 17703.9414 0.0000 0.0000 34207.9972 -149200.6511 298.7469 -183408.6483 -149104.2251 299.1729 -132.5757 -107.2019 558759.5086 -9.0504 -9.2881 PRESSURE: 651200 155.112 108.026 -48.8135 108.027 315.338 170.09 -48.8142 170.091 -133.255 GPRESSURE: 651200 163.95 175.233 -7.19776 -33.2073 348.539 189.296 -59.1391 215.557 -88.2234 PRESSAVG: 651200 -2.71264 3.55273 25.9911 3.55273 17.1918 -4.29648 25.9911 -4.29645 -11.3378 GPRESSAVG: 651200 -3.69655 3.9452 27.4403 4.59183 18.5903 -6.84508 24.5103 -0.360336 -11.6675 TIMING: 651200 CPU: 1883.88, 0.00291929/step Wall: 1883.88, 0.00291929/step, 3.5265 hours remaining, 205.468750 MB of memory in use. ENERGY: 651200 748.0795 2072.9374 1976.8870 108.3849 -206559.1049 18210.1240 0.0000 0.0000 34216.4600 -149226.2321 298.8209 -183442.6921 -149132.8035 300.0434 112.3983 141.4221 557906.1189 1.0471 1.0754 PRESSURE: 651400 38.5839 -198.858 53.4666 -198.858 -201.54 9.86982 53.4671 9.87007 321.915 GPRESSURE: 651400 142.272 -168.526 -32.6461 -205.993 -169.704 -6.82286 80.0424 -53.5419 294.794 PRESSAVG: 651400 73.3922 -13.2699 -4.12297 -13.2699 -61.9992 -20.6126 -4.12292 -20.6126 0.3077 GPRESSAVG: 651400 75.3413 -14.6529 -3.53235 -13.6679 -63.3813 -19.8396 -4.73077 -23.5086 -0.607098 TIMING: 651400 CPU: 1884.46, 0.00291343/step Wall: 1884.46, 0.00291343/step, 3.51926 hours remaining, 205.468750 MB of memory in use. ENERGY: 651400 764.0782 2073.7621 1942.4141 114.0031 -206502.7478 18070.7282 0.0000 0.0000 34269.7614 -149268.0007 299.2863 -183537.7621 -149174.7615 299.0213 52.9865 89.1207 557313.6570 3.9002 3.7843 PRESSURE: 651600 -301.655 92.1899 87.69 92.1895 190.024 -4.89789 87.6901 -4.89635 -37.591 GPRESSURE: 651600 -296.115 96.498 3.06827 123.7 222.885 -47.9249 4.78069 -2.75899 18.8551 PRESSAVG: 651600 25.4858 -9.74539 24.8718 -9.74538 -28.3894 5.96498 24.8718 5.96504 2.28258 GPRESSAVG: 651600 25.0165 -9.30225 22.6612 -8.75911 -28.4939 4.60048 25.1978 5.89933 2.81838 TIMING: 651600 CPU: 1885.05, 0.00292084/step Wall: 1885.05, 0.00292084/step, 3.52805 hours remaining, 205.468750 MB of memory in use. ENERGY: 651600 727.9418 2109.2949 1934.5663 107.6927 -205967.1994 17736.5339 0.0000 0.0000 34427.6155 -148923.5544 300.6649 -183351.1698 -148832.2205 299.0510 -49.7406 -18.1247 558690.5473 -0.2070 -0.2197 PRESSURE: 651800 69.6144 -61.8619 37.3541 -61.8627 -170.573 -76.6698 37.3551 -76.6699 -34.3693 GPRESSURE: 651800 46.3246 -69.3202 105.606 -40.2822 -90.1609 -37.1083 117.318 -162.018 8.60775 PRESSAVG: 651800 9.8731 14.6277 69.0032 14.6277 19.6586 -44.2994 69.0031 -44.2995 -12.5 GPRESSAVG: 651800 8.94393 13.3607 68.8548 14.1232 20.5334 -45.6651 68.9545 -42.3411 -11.8176 TIMING: 651800 CPU: 1885.64, 0.00294954/step Wall: 1885.64, 0.00294954/step, 3.56255 hours remaining, 205.468750 MB of memory in use. ENERGY: 651800 728.6460 2117.6696 1940.7046 122.1438 -205809.3234 17548.2978 0.0000 0.0000 34364.8730 -148986.9885 300.1170 -183351.8615 -148882.3910 299.9364 -45.1094 -11.7428 558405.7868 5.6772 5.8866 PRESSURE: 652000 -244.715 86.4852 44.8118 86.4861 -91.3271 -118.584 44.811 -118.584 -184.847 GPRESSURE: 652000 -152.131 128.736 -43.3168 116.981 -119.539 -127.692 39.8668 -77.1292 -160.413 PRESSAVG: 652000 28.7369 -63.6693 29.2907 -63.6693 -22.6007 -16.096 29.2907 -16.096 -16.6125 GPRESSAVG: 652000 28.771 -62.1031 28.5522 -62.676 -23.3949 -15.1339 30.1273 -18.8636 -16.0108 TIMING: 652000 CPU: 1886.23, 0.00295162/step Wall: 1886.23, 0.00295162/step, 3.5649 hours remaining, 205.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 652000 766.0601 2086.4722 1919.5181 127.2838 -205735.9286 17501.6004 0.0000 0.0000 34359.5488 -148975.4451 300.0705 -183334.9939 -148871.0712 299.6053 -173.6297 -144.0274 557159.1602 -3.4921 -3.5449 PRESSURE: 652200 159.307 -98.6864 -29.853 -98.6869 179.296 32.669 -29.8516 32.6685 20.3785 GPRESSURE: 652200 137.918 -100.178 8.58929 -115.707 190.345 -13.1343 -91.2925 10.7782 109.606 PRESSAVG: 652200 -32.304 22.8765 8.26034 22.8765 15.0256 44.2619 8.26032 44.2619 6.21547 GPRESSAVG: 652200 -33.6624 21.2147 11.0698 21.8402 15.76 42.5246 7.21093 45.2781 6.68847 TIMING: 652200 CPU: 1886.81, 0.00290261/step Wall: 1886.81, 0.00290261/step, 3.50555 hours remaining, 205.468750 MB of memory in use. ENERGY: 652200 781.0952 2065.4602 1939.4618 118.0377 -206570.2200 18187.5199 0.0000 0.0000 34426.7066 -149051.9387 300.6570 -183478.6452 -148958.0167 299.6823 119.6606 145.9564 557703.8636 -3.6877 -3.7380 LDB: ============= START OF LOAD BALANCING ============== 1890.2 LDB: ============== END OF LOAD BALANCING =============== 1890.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1890.2 LDB: ============= START OF LOAD BALANCING ============== 1890.49 LDB: Largest compute 4820 load 0.029461 is 25.0% of average load 0.117936 LDB: Average compute 0.001715 is 1.5% of average load 0.117936 LDB: TIME 1890.49 LOAD: AVG 0.117936 MAX 0.18804 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.402 MB LDB: TIME 1890.49 LOAD: AVG 0.117936 MAX 0.18804 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.434 MB LDB: TIME 1890.49 LOAD: AVG 0.117936 MAX 0.18804 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.434 MB LDB: ============== END OF LOAD BALANCING =============== 1890.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1890.5 PRESSURE: 652400 160.77 45.3584 70.4139 45.358 -1.53227 276.162 70.4155 276.161 -87.972 GPRESSURE: 652400 217.712 47.9071 23.9028 -14.8698 20.7869 254.745 29.4675 301.837 -80.8393 PRESSAVG: 652400 5.9507 -24.5828 57.5139 -24.5829 -1.8878 10.1738 57.5139 10.1738 -34.4526 GPRESSAVG: 652400 7.52464 -22.9345 56.0116 -24.1944 -0.93906 12.1287 59.5981 8.61102 -36.8424 TIMING: 652400 CPU: 1887.4, 0.00296144/step Wall: 1887.4, 0.00296144/step, 3.57643 hours remaining, 205.687500 MB of memory in use. ENERGY: 652400 762.0086 2124.4990 1931.8369 113.0564 -206219.7787 18021.2225 0.0000 0.0000 34260.0536 -149007.1017 299.2016 -183267.1553 -148909.4163 299.3811 23.7553 52.5532 557515.1855 -10.1299 -10.0856 PRESSURE: 652600 207.347 154.189 93.209 154.189 284.838 41.9621 93.2092 41.9625 102.937 GPRESSURE: 652600 221.217 202.115 78.7348 154.289 285.622 -4.36134 111.624 -3.84857 191.619 PRESSAVG: 652600 31.6597 -4.75269 102.923 -4.75277 -9.4731 43.2333 102.923 43.2332 -49.8875 GPRESSAVG: 652600 31.6769 -3.57036 103.019 -4.89705 -10.1152 42.1188 104.068 44.0199 -49.6615 TIMING: 652600 CPU: 1887.99, 0.00293405/step Wall: 1887.99, 0.00293405/step, 3.54319 hours remaining, 205.687500 MB of memory in use. ENERGY: 652600 754.8638 2076.9404 1946.1331 121.9464 -206441.9341 18190.3783 0.0000 0.0000 34338.8120 -149012.8602 299.8894 -183351.6722 -148922.8754 300.2595 198.3741 232.8197 557916.1696 -9.2336 -9.3666 PRESSURE: 652800 170.05 102.017 60.4813 102.017 282.07 55.0055 60.4816 55.0055 -23.0633 GPRESSURE: 652800 158.099 172.78 67.652 63.7021 372.415 63.2352 5.3713 27.8041 4.46082 PRESSAVG: 652800 22.6119 15.2233 70.7041 15.2233 -3.72034 -6.3753 70.7041 -6.37528 -77.7446 GPRESSAVG: 652800 21.9856 16.6445 68.7629 12.5938 -4.24275 -6.3201 69.7827 -5.18492 -76.7197 TIMING: 652800 CPU: 1888.57, 0.00291452/step Wall: 1888.57, 0.00291452/step, 3.51944 hours remaining, 205.804688 MB of memory in use. ENERGY: 652800 773.2520 2094.1608 1935.6661 109.3494 -206463.3405 18082.7762 0.0000 0.0000 34430.0744 -149038.0616 300.6864 -183468.1359 -148938.2259 299.6197 143.0188 178.3250 557731.7351 -19.6177 -19.6590 PRESSURE: 653000 338.942 32.219 36.8062 32.2196 -200.299 -132.26 36.8062 -132.26 97.5344 GPRESSURE: 653000 387.593 25.4097 92.2121 22.0558 -147.669 -149.042 38.1251 -164.327 96.386 PRESSAVG: 653000 13.4703 65.4908 51.733 65.491 -40.0419 13.5083 51.733 13.5083 -17.1341 GPRESSAVG: 653000 13.7897 62.9846 52.4284 67.5465 -39.7141 13.2692 51.0248 12.3694 -18.2055 TIMING: 653000 CPU: 1889.15, 0.00289871/step Wall: 1889.15, 0.00289871/step, 3.50019 hours remaining, 205.804688 MB of memory in use. ENERGY: 653000 739.6356 2098.9960 1951.7067 120.3569 -206113.6818 17731.1902 0.0000 0.0000 34283.7281 -149188.0683 299.4083 -183471.7964 -149094.8582 300.1261 78.7259 112.1034 556657.5034 -14.5686 -14.7100 PRESSURE: 653200 -45.7771 -57.5917 165.128 -57.5907 60.8232 34.7234 165.129 34.7241 -20.2928 GPRESSURE: 653200 -29.6802 -30.133 168.674 -38.0956 143.377 26.4868 127.257 -5.61983 -19.6453 PRESSAVG: 653200 -42.5814 -1.67576 15.1367 -1.67568 45.6551 5.9509 15.1367 5.9509 25.8747 GPRESSAVG: 653200 -43.289 -0.912066 17.0964 -3.17033 45.72 6.9582 14.931 6.72324 26.5123 TIMING: 653200 CPU: 1889.73, 0.00287241/step Wall: 1889.73, 0.00287241/step, 3.46827 hours remaining, 205.804688 MB of memory in use. ENERGY: 653200 748.5563 2105.6062 1938.0429 124.6836 -206250.9319 17752.0144 0.0000 0.0000 34454.4593 -149127.5692 300.8994 -183582.0285 -149025.0708 299.3584 -1.7489 31.3505 556945.8661 9.6495 9.6478 PRESSURE: 653400 72.1109 78.113 50.3798 78.1146 -104.183 64.7765 50.3808 64.7761 -123.918 GPRESSURE: 653400 82.8488 117.273 39.9681 115.496 -50.9319 63.5266 63.2239 71.0012 -86.9354 PRESSAVG: 653400 18.844 20.6107 43.1813 20.6106 36.054 10.7727 43.1814 10.7727 -4.90314 GPRESSAVG: 653400 19.7784 19.6345 40.6776 23.2304 35.778 10.8897 44.0162 8.92147 -5.08164 TIMING: 653400 CPU: 1890.31, 0.00291117/step Wall: 1890.31, 0.00291117/step, 3.51491 hours remaining, 205.804688 MB of memory in use. ENERGY: 653400 743.2166 2121.6346 1951.3299 126.5259 -206367.7335 17804.0456 0.0000 0.0000 34342.1118 -149278.8691 299.9182 -183620.9809 -149187.1270 299.9786 -51.9967 -18.3395 557527.0291 16.6650 16.8249 PRESSURE: 653600 -160.556 207.941 60.7607 207.94 42.3104 -102.263 60.7609 -102.264 -141.982 GPRESSURE: 653600 -166.683 186.377 -86.0484 194.438 23.4713 -16.2995 128.974 -168.961 -27.1957 PRESSAVG: 653600 6.86774 20.9504 -12.8303 20.9505 5.54532 14.1221 -12.8303 14.122 -9.05232 GPRESSAVG: 653600 6.36486 19.2778 -12.4961 21.3667 5.6191 15.7707 -13.3573 16.8002 -8.70091 TIMING: 653600 CPU: 1890.9, 0.00294028/step Wall: 1890.9, 0.00294028/step, 3.5499 hours remaining, 205.804688 MB of memory in use. ENERGY: 653600 732.0024 2128.9367 1921.1092 110.0523 -205936.7094 17541.7580 0.0000 0.0000 34299.8420 -149203.0088 299.5491 -183502.8508 -149099.7156 299.4442 -86.7426 -56.8026 558229.2808 1.1202 1.0944 PRESSURE: 653800 -176.163 -158.468 -14.0421 -158.468 250.764 129.682 -14.0426 129.682 182.014 GPRESSURE: 653800 -148.396 -168.34 -11.0481 -165.497 276.203 37.3873 1.35927 93.699 230.463 PRESSAVG: 653800 -55.2974 -31.0658 -40.8339 -31.0659 97.9968 -2.82305 -40.8339 -2.82305 -48.7028 GPRESSAVG: 653800 -55.4041 -28.7074 -39.8906 -32.759 96.7353 -4.17817 -40.5089 -3.62751 -47.8964 TIMING: 653800 CPU: 1891.48, 0.00292/step Wall: 1891.48, 0.00292/step, 3.52525 hours remaining, 205.804688 MB of memory in use. ENERGY: 653800 763.2899 2120.8529 1934.5088 108.1529 -206314.8402 17950.5448 0.0000 0.0000 34236.4510 -149201.0399 298.9954 -183437.4908 -149108.6206 298.7914 85.5381 119.4235 556931.8653 -2.0011 -2.1884 PRESSURE: 654000 -105.683 10.8185 -81.2444 10.8184 -67.5987 35.3313 -81.2441 35.3319 71.9532 GPRESSURE: 654000 -38.0941 -42.997 -35.4568 118.629 -88.9234 51.3139 -80.4183 86.1368 114.237 PRESSAVG: 654000 43.6319 -47.0985 -21.3239 -47.0985 33.4983 60.28 -21.3239 60.28 -34.1054 GPRESSAVG: 654000 42.7335 -47.6047 -21.6115 -45.7596 34.0035 60.7605 -19.357 59.3115 -33.5232 TIMING: 654000 CPU: 1892.07, 0.00293021/step Wall: 1892.07, 0.00293021/step, 3.53742 hours remaining, 205.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 654000 796.5330 2148.9234 1957.4462 119.3180 -206473.3251 17913.8815 0.0000 0.0000 34448.1092 -149089.1138 300.8439 -183537.2230 -148996.7217 298.8313 -33.7763 -4.2603 558947.3121 14.3416 14.4046 PRESSURE: 654200 -102.038 189.601 63.331 189.601 -377.59 262.689 63.3308 262.689 17.1754 GPRESSURE: 654200 -7.03743 166.879 88.2158 150.2 -392.095 196.481 62.1277 359.393 38.9369 PRESSAVG: 654200 66.6651 49.8896 16.5699 49.8896 -85.2644 112.172 16.5699 112.172 6.83224 GPRESSAVG: 654200 68.513 48.6681 16.6844 47.8029 -84.4607 110.716 15.9339 114.127 4.9747 TIMING: 654200 CPU: 1892.65, 0.00294508/step Wall: 1892.65, 0.00294508/step, 3.5552 hours remaining, 205.804688 MB of memory in use. ENERGY: 654200 761.2497 2076.7169 1942.0880 105.7572 -205912.4796 17595.7552 0.0000 0.0000 34373.7914 -149057.1211 300.1949 -183430.9125 -148964.1771 299.5655 -154.1510 -120.0653 558028.1143 -3.9224 -3.6577 PRESSURE: 654400 -187.78 -136.039 -184.026 -136.04 -107.824 126.687 -184.025 126.687 -97.1293 GPRESSURE: 654400 -156.154 -173.272 -130.665 -96.9256 -111.013 126.594 -228.406 186.871 -36.066 PRESSAVG: 654400 -5.56712 65.7698 -37.3192 65.7698 -52.0857 82.0996 -37.3193 82.0997 20.1499 GPRESSAVG: 654400 -4.6197 64.9644 -36.9187 68.3789 -52.9056 82.3939 -37.657 80.4799 19.6877 TIMING: 654400 CPU: 1893.25, 0.00297841/step Wall: 1893.25, 0.00297841/step, 3.59527 hours remaining, 205.804688 MB of memory in use. ENERGY: 654400 753.9898 2091.7875 1943.5277 111.5765 -205687.0521 17515.4558 0.0000 0.0000 34263.4669 -149007.2479 299.2314 -183270.7148 -148906.6554 299.3134 -130.9111 -101.0778 557236.7445 -12.5010 -12.6126 PRESSURE: 654600 3.68576 107.212 -201.126 107.213 -153.82 123.168 -201.126 123.169 54.393 GPRESSURE: 654600 72.9973 4.86963 -198.757 63.8195 -140.876 196.108 -207.431 42.5458 73.1057 PRESSAVG: 654600 33.2208 5.74683 -72.4878 5.74687 -28.1389 32.3001 -72.4878 32.3001 44.5044 GPRESSAVG: 654600 31.363 6.19376 -71.5817 3.50351 -28.2568 32.5727 -72.0104 32.5455 46.4725 TIMING: 654600 CPU: 1893.84, 0.00297225/step Wall: 1893.84, 0.00297225/step, 3.58767 hours remaining, 205.804688 MB of memory in use. ENERGY: 654600 769.5683 2104.3828 1963.2897 111.5694 -206309.9585 17922.2641 0.0000 0.0000 34336.6505 -149102.2338 299.8705 -183438.8842 -148999.2627 300.2707 -31.9136 1.7424 557864.5807 16.5288 16.5263 PRESSURE: 654800 -409.345 17.3979 -145.148 17.3961 66.8104 -97.5612 -145.148 -97.5614 -192.242 GPRESSURE: 654800 -341.368 48.0732 -111.74 -15.7611 101.662 -238.965 -144.74 -140.754 -204.839 PRESSAVG: 654800 -41.1756 26.3492 -84.0141 26.3492 69.8704 20.6962 -84.014 20.6962 4.39653 GPRESSAVG: 654800 -40.2539 26.3196 -84.243 27.5047 70.5373 21.4618 -83.4821 19.1134 2.9509 TIMING: 654800 CPU: 1894.43, 0.00294134/step Wall: 1894.43, 0.00294134/step, 3.5502 hours remaining, 205.804688 MB of memory in use. ENERGY: 654800 777.5374 2114.4327 1949.8418 116.8130 -206108.8540 17754.6689 0.0000 0.0000 34146.7740 -149248.7863 298.2123 -183395.5602 -149152.1803 299.6164 -178.2589 -148.1815 559058.1098 11.0304 11.0781 PRESSURE: 655000 -229.13 -148.419 -83.493 -148.421 -57.6687 264.188 -83.493 264.187 -209.523 GPRESSURE: 655000 -198.667 -135.222 -145.47 -177.556 -46.3972 167.832 -40.0903 266.444 -142.968 PRESSAVG: 655000 -38.014 -32.942 -40.0721 -32.942 35.5133 27.1498 -40.0722 27.1499 14.6708 GPRESSAVG: 655000 -37.8612 -29.09 -42.5951 -33.6584 34.3892 26.6379 -41.0378 29.8388 15.4694 TIMING: 655000 CPU: 1895.02, 0.00294264/step Wall: 1895.02, 0.00294264/step, 3.5516 hours remaining, 205.804688 MB of memory in use. ENERGY: 655000 725.4662 2167.3853 1924.8342 122.1432 -205953.1446 17552.1735 0.0000 0.0000 34358.1767 -149102.9655 300.0585 -183461.1422 -149003.7832 299.3030 -165.4406 -129.3439 557954.4032 4.0567 3.9991 PRESSURE: 655200 150.444 -84.5815 123.74 -84.582 -55.5535 60.2414 123.741 60.2417 -271.019 GPRESSURE: 655200 124.105 -130.869 175.46 -93.1629 -20.492 83.541 156.591 116.702 -188.173 PRESSAVG: 655200 53.3275 8.16623 2.67985 8.16633 -84.9013 23.2572 2.67976 23.2573 4.7738 GPRESSAVG: 655200 53.2527 6.08804 4.39151 7.66563 -85.5891 23.3323 1.3943 21.6614 5.14186 TIMING: 655200 CPU: 1895.61, 0.00292297/step Wall: 1895.61, 0.00292297/step, 3.5277 hours remaining, 205.804688 MB of memory in use. ENERGY: 655200 753.6663 2031.9794 1961.7682 122.9321 -206088.2806 17817.1393 0.0000 0.0000 34225.7187 -149175.0767 298.9017 -183400.7954 -149085.9777 299.2991 -58.7093 -28.1865 557838.8755 -8.9333 -9.0649 PRESSURE: 655400 -113.151 108.877 85.5711 108.876 -71.4163 86.9618 85.5721 86.9601 -168.252 GPRESSURE: 655400 -66.9012 61.828 111.792 181.494 -40.5773 98.5388 142.523 31.7783 -136.961 PRESSAVG: 655400 32.5047 28.454 20.4831 28.454 -12.4037 1.20363 20.4832 1.20353 -41.3295 GPRESSAVG: 655400 31.4012 25.4793 20.5169 28.4528 -10.3443 1.05822 22.6539 0.414477 -42.769 TIMING: 655400 CPU: 1896.19, 0.00290961/step Wall: 1896.19, 0.00290961/step, 3.51141 hours remaining, 205.804688 MB of memory in use. ENERGY: 655400 796.7576 2071.5634 1944.1640 117.6937 -206437.4901 18001.5122 0.0000 0.0000 34226.2704 -149279.5288 298.9065 -183505.7992 -149179.9143 299.7337 -117.6064 -81.4798 557660.3215 -7.0762 -7.2374 PRESSURE: 655600 -52.1271 -50.2554 105.313 -50.2565 -235.111 66.3617 105.312 66.3619 -161.566 GPRESSURE: 655600 -34.6113 -40.7362 67.2906 -58.2557 -212.531 118.062 154.712 116.798 -99.479 PRESSAVG: 655600 32.8135 50.038 27.1352 50.0381 -42.9148 40.7381 27.1352 40.7382 15.1777 GPRESSAVG: 655600 33.0469 52.6576 26.5331 49.4092 -43.6853 39.914 26.374 40.1 16.4005 TIMING: 655600 CPU: 1896.77, 0.00291522/step Wall: 1896.77, 0.00291522/step, 3.51802 hours remaining, 205.804688 MB of memory in use. ENERGY: 655600 756.8653 2133.6766 1909.9829 111.2445 -206012.9398 17615.7101 0.0000 0.0000 34191.6150 -149293.8454 298.6039 -183485.4604 -149197.4259 299.4852 -149.6012 -115.5405 557770.4127 1.6921 1.9207 PRESSURE: 655800 173.397 64.8424 1.23907 64.842 19.8109 -50.7871 1.23985 -50.7855 135.287 GPRESSURE: 655800 228.951 44.0335 58.5946 110.056 54.9193 -115.594 -59.9737 -78.3529 143.716 PRESSAVG: 655800 -21.1226 -9.36691 -7.10825 -9.36693 42.1314 38.272 -7.10827 38.272 18.2035 GPRESSAVG: 655800 -20.8397 -11.7652 -7.60251 -6.85589 42.3598 39.191 -6.89819 38.99 17.833 TIMING: 655800 CPU: 1897.36, 0.00292168/step Wall: 1897.36, 0.00292168/step, 3.52566 hours remaining, 205.804688 MB of memory in use. ENERGY: 655800 731.8107 2126.2628 1932.2482 102.6342 -206545.1443 18106.7028 0.0000 0.0000 34290.1155 -149255.3701 299.4641 -183545.4855 -149159.5907 299.8848 109.4982 142.5287 557746.7856 13.0708 13.1177 PRESSURE: 656000 59.0033 -95.4221 -86.4441 -95.4222 11.8784 9.21945 -86.4434 9.21847 -118.212 GPRESSURE: 656000 83.311 -122.957 -106.929 -4.94373 62.7368 32.1283 -72.9793 -68.0398 -80.4713 PRESSAVG: 656000 28.3054 -10.9969 -8.04018 -10.9969 -66.6196 24.3121 -8.04015 24.3121 39.5705 GPRESSAVG: 656000 28.5376 -11.2826 -7.71576 -11.7613 -66.8893 26.0749 -8.46207 23.6348 39.5108 TIMING: 656000 CPU: 1897.94, 0.00293169/step Wall: 1897.94, 0.00293169/step, 3.53757 hours remaining, 205.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 656000 736.9918 2074.9650 1970.3776 122.4061 -206438.5142 17982.5165 0.0000 0.0000 34216.9162 -149334.3410 298.8248 -183551.2572 -149235.4870 299.3376 -15.7769 21.8589 559261.2858 0.4188 0.3864 PRESSURE: 656200 64.7308 45.6891 88.1812 45.6885 -258.089 140.195 88.1814 140.194 -232.475 GPRESSURE: 656200 5.87002 114.692 54.1748 -33.4271 -148.292 147.353 83.9247 109.093 -182.717 PRESSAVG: 656200 49.2249 -32.4502 2.46735 -32.4502 -72.5218 -8.70537 2.46743 -8.70537 -7.05918 GPRESSAVG: 656200 47.9215 -30.8702 2.72227 -32.6316 -70.9749 -9.52691 2.93096 -6.36544 -7.3876 TIMING: 656200 CPU: 1898.53, 0.00295041/step Wall: 1898.53, 0.00295041/step, 3.56 hours remaining, 205.804688 MB of memory in use. ENERGY: 656200 747.5670 2105.7358 1970.7484 115.4126 -205933.1676 17596.3039 0.0000 0.0000 34090.2321 -149307.1677 297.7185 -183397.3998 -149204.6402 298.1842 -141.9444 -108.3795 559392.0950 -10.1187 -10.1470 LDB: ============= START OF LOAD BALANCING ============== 1901.92 LDB: ============== END OF LOAD BALANCING =============== 1901.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1901.93 LDB: ============= START OF LOAD BALANCING ============== 1902.22 LDB: Largest compute 4820 load 0.028731 is 24.4% of average load 0.117870 LDB: Average compute 0.001715 is 1.5% of average load 0.117870 LDB: TIME 1902.22 LOAD: AVG 0.11787 MAX 0.185016 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.609 MB LDB: TIME 1902.22 LOAD: AVG 0.11787 MAX 0.185016 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.609 MB LDB: TIME 1902.22 LOAD: AVG 0.11787 MAX 0.185016 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1902.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1902.23 PRESSURE: 656400 -157.99 -40.8699 100.77 -40.8704 85.1295 189.685 100.769 189.685 172.129 GPRESSURE: 656400 -89.5926 -113.055 161.922 5.52501 171.176 226.489 62.2102 127.242 112.413 PRESSAVG: 656400 -17.8503 -1.69204 16.3094 -1.69198 82.5986 50.2373 16.3095 50.2373 -58.288 GPRESSAVG: 656400 -17.4747 -1.25552 15.7955 -1.9736 82.3936 49.85 14.5191 48.2506 -58.372 TIMING: 656400 CPU: 1899.13, 0.00298908/step Wall: 1899.13, 0.00298908/step, 3.60649 hours remaining, 206.898438 MB of memory in use. ENERGY: 656400 797.9093 2134.4582 1946.2637 119.0772 -206156.4981 17837.4700 0.0000 0.0000 34189.3452 -149131.9746 298.5841 -183321.3198 -149035.0910 299.2302 33.0894 64.6653 556825.8872 2.1535 2.1823 PRESSURE: 656600 -315.112 -39.7575 -180.593 -39.7577 -63.522 -142.259 -180.592 -142.26 44.2041 GPRESSURE: 656600 -312.158 -19.6456 -200.184 -26.6666 -38.6356 -148.282 -131.424 -137.017 98.5661 PRESSAVG: 656600 -31.1484 -9.29333 -59.8379 -9.2933 -17.8095 25.3749 -59.8378 25.3748 15.6708 GPRESSAVG: 656600 -30.3673 -10.3903 -58.2626 -7.75447 -18.8007 25.5418 -58.3389 25.1176 16.5149 TIMING: 656600 CPU: 1899.71, 0.00291561/step Wall: 1899.71, 0.00291561/step, 3.51769 hours remaining, 206.898438 MB of memory in use. ENERGY: 656600 743.5783 2115.9645 1934.1729 109.5311 -205876.5237 17490.7157 0.0000 0.0000 34252.4367 -149230.1246 299.1350 -183482.5613 -149134.6001 299.1822 -111.4767 -84.0760 555782.7590 -11.0957 -10.8844 PRESSURE: 656800 -137.046 74.6206 -65.3023 74.6208 -127.258 -101.6 -65.3032 -101.6 -399.756 GPRESSURE: 656800 -187.435 139.781 -56.6777 -31.8229 -92.2607 -96.6723 -69.489 -79.6306 -293.329 PRESSAVG: 656800 -15.1409 2.65692 -69.647 2.65688 25.6491 -35.6229 -69.6471 -35.6229 35.1491 GPRESSAVG: 656800 -17.1571 4.71699 -70.0381 0.882443 27.8379 -36.8529 -68.283 -34.5786 35.1215 TIMING: 656800 CPU: 1900.3, 0.00292947/step Wall: 1900.3, 0.00292947/step, 3.53424 hours remaining, 207.101562 MB of memory in use. ENERGY: 656800 794.1841 2073.3637 1923.4781 110.6005 -205950.9905 17646.9295 0.0000 0.0000 34198.9927 -149203.4419 298.6683 -183402.4346 -149112.3627 299.2092 -221.3531 -191.0082 557998.2533 15.2191 15.2674 PRESSURE: 657000 -79.4382 96.4578 -163.822 96.4567 63.7064 70.0359 -163.822 70.0349 175.005 GPRESSURE: 657000 -108.832 110.327 -235.852 118.02 136.902 125.552 -155.581 69.7159 225.066 PRESSAVG: 657000 27.7572 51.7983 -78.9418 51.7983 -48.8525 -17.666 -78.9417 -17.6659 -1.24787 GPRESSAVG: 657000 27.8379 51.4893 -79.9788 52.5061 -50.7837 -17.7492 -79.4998 -17.0921 0.563874 TIMING: 657000 CPU: 1900.88, 0.00293045/step Wall: 1900.88, 0.00293045/step, 3.53526 hours remaining, 207.101562 MB of memory in use. ENERGY: 657000 767.6149 2137.8348 1921.3655 120.2654 -206374.7117 17959.3625 0.0000 0.0000 33949.9529 -149518.3157 296.4934 -183468.2686 -149425.5570 299.1848 53.0910 84.3786 557228.7629 -7.4477 -7.4607 PRESSURE: 657200 -8.57872 139.119 -77.4438 139.119 143.082 32.7418 -77.4428 32.7438 161.457 GPRESSURE: 657200 95.2267 134.569 -28.3498 134.681 149.95 55.0305 -124.826 94.5461 144.741 PRESSAVG: 657200 -20.0229 6.03414 -15.135 6.03407 40.6745 31.5976 -15.135 31.5976 2.01526 GPRESSAVG: 657200 -18.1596 6.24081 -13.4124 5.10384 40.3283 32.5525 -14.9702 32.2342 0.394646 TIMING: 657200 CPU: 1901.47, 0.00292763/step Wall: 1901.47, 0.00292763/step, 3.5317 hours remaining, 207.101562 MB of memory in use. ENERGY: 657200 769.2178 2110.0256 1915.1213 97.8872 -206484.0216 18043.5214 0.0000 0.0000 34141.2082 -149407.0402 298.1637 -183548.2484 -149318.2306 298.4840 98.6535 129.9725 558070.6162 7.5556 7.5211 PRESSURE: 657400 -251.667 50.8794 -118.02 50.8797 -139.035 149.584 -118.02 149.585 126.932 GPRESSURE: 657400 -131.724 109.908 -124.415 -15.5511 -197.247 115.291 -92.4945 105.335 161.351 PRESSAVG: 657400 -26.4226 8.47476 -4.03468 8.47476 5.16365 59.0841 -4.03474 59.084 50.9361 GPRESSAVG: 657400 -27.4985 9.66783 -5.52459 6.87251 6.07657 59.191 -3.46369 58.8045 50.3001 TIMING: 657400 CPU: 1902.06, 0.00292673/step Wall: 1902.06, 0.00292673/step, 3.53045 hours remaining, 207.101562 MB of memory in use. ENERGY: 657400 751.1409 2038.8139 1976.7408 102.2589 -206122.3542 17765.8527 0.0000 0.0000 34068.6242 -149418.9229 297.5298 -183487.5471 -149314.8826 298.4967 -87.9231 -55.8733 558203.9138 9.8924 9.6261 PRESSURE: 657600 -66.7151 -87.134 63.718 -87.1338 114.163 136.429 63.719 136.431 21.7075 GPRESSURE: 657600 -58.9659 -98.0932 -9.94933 -36.1217 106.497 126.476 -24.4067 202.464 119.279 PRESSAVG: 657600 -73.1886 20.8258 -9.31979 20.8259 -15.481 17.9323 -9.3198 17.9324 59.2438 GPRESSAVG: 657600 -73.1305 19.0474 -9.86404 23.8268 -16.511 17.5756 -11.2009 18.3308 60.5374 TIMING: 657600 CPU: 1902.64, 0.00291186/step Wall: 1902.64, 0.00291186/step, 3.51234 hours remaining, 207.101562 MB of memory in use. ENERGY: 657600 764.8288 2098.9001 1947.6600 118.8506 -206354.3692 17990.4598 0.0000 0.0000 34139.5705 -149294.0995 298.1494 -183433.6700 -149198.9523 299.2885 23.0518 55.6034 557793.6408 -9.8086 -9.7014 PRESSURE: 657800 -180.549 18.7149 -85.9887 18.7155 -1.75769 -26.5722 -85.9886 -26.5713 -204.509 GPRESSURE: 657800 -164.695 -6.93287 -31.5215 -8.75657 -6.07121 28.5896 -13.5881 -58.207 -113.028 PRESSAVG: 657800 4.16692 -13.906 -20.1204 -13.9061 -40.4832 13.5521 -20.1204 13.5521 42.0701 GPRESSAVG: 657800 4.45651 -13 -20.6882 -13.868 -41.0285 14.3047 -18.62 11.332 42.6155 TIMING: 657800 CPU: 1903.22, 0.0028945/step Wall: 1903.22, 0.0028945/step, 3.49125 hours remaining, 207.101562 MB of memory in use. ENERGY: 657800 749.1299 2113.0571 1917.5871 105.9016 -205894.5340 17694.3609 0.0000 0.0000 34089.2943 -149225.2031 297.7103 -183314.4974 -149127.6519 299.1521 -128.9383 -94.5981 559808.3559 1.9179 2.0145 PRESSURE: 658000 -238.665 78.5517 -26.9349 78.5518 -204.293 49.0226 -26.9356 49.0209 8.45111 GPRESSURE: 658000 -189.497 150.445 -45.8156 99.1362 -205.987 77.06 -43.7726 70.3 51.4711 PRESSAVG: 658000 -62.654 16.0895 -24.1286 16.0893 -13.9719 2.39382 -24.1287 2.39374 54.9026 GPRESSAVG: 658000 -62.9522 16.4923 -23.6609 15.3149 -12.7761 2.91125 -25.3142 0.520951 54.0128 TIMING: 658000 CPU: 1903.8, 0.00291358/step Wall: 1903.8, 0.00291358/step, 3.5141 hours remaining, 207.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 658000 743.6628 2098.2136 1908.4295 117.4545 -205896.6378 17638.7678 0.0000 0.0000 34320.2207 -149069.8889 299.7270 -183390.1097 -148972.9715 299.4944 -144.8359 -114.6712 557852.0757 -7.2411 -7.2385 PRESSURE: 658200 -218.117 -154.748 -160.477 -154.747 170.134 -129.563 -160.477 -129.563 105.317 GPRESSURE: 658200 -212.932 -128.659 -298.233 -220.562 184.007 -227.794 -91.9678 -127.632 178.674 PRESSAVG: 658200 -75.7389 -16.7448 -2.55013 -16.7448 62.4404 -10.0202 -2.55019 -10.0202 -5.82194 GPRESSAVG: 658200 -75.106 -16.6909 -3.24162 -17.9213 62.845 -10.8814 -1.40677 -7.74004 -6.38567 TIMING: 658200 CPU: 1904.39, 0.00292992/step Wall: 1904.39, 0.00292992/step, 3.53365 hours remaining, 207.101562 MB of memory in use. ENERGY: 658200 720.9288 2066.3149 1905.9454 116.0280 -206209.0060 18011.0327 0.0000 0.0000 34269.3095 -149119.4466 299.2824 -183388.7561 -149024.8757 299.8862 19.1113 49.9160 557368.5668 -6.3735 -6.2156 PRESSURE: 658400 -92.273 -79.1519 -73.2147 -79.1499 -238.953 38.9049 -73.2147 38.9046 77.2677 GPRESSURE: 658400 -6.83808 -116.891 -56.4975 -102.255 -259.723 0.998119 -111.362 -13.18 112.392 PRESSAVG: 658400 14.7833 -34.5296 -47.3818 -34.5296 -30.7787 -50.3853 -47.3818 -50.3853 39.64 GPRESSAVG: 658400 14.8659 -37.4612 -46.7932 -32.246 -30.9683 -50.4482 -47.1518 -48.6153 39.5715 TIMING: 658400 CPU: 1904.98, 0.00294638/step Wall: 1904.98, 0.00294638/step, 3.55333 hours remaining, 207.101562 MB of memory in use. ENERGY: 658400 724.4949 2052.4966 1936.1762 110.0265 -205819.5526 17512.6913 0.0000 0.0000 34500.9851 -148982.6820 301.3057 -183483.6670 -148876.5910 299.7666 -84.6528 -51.3897 558717.5422 7.8815 7.8230 PRESSURE: 658600 128.058 -37.8752 162.337 -37.8746 150.708 -54.1633 162.337 -54.1643 -93.335 GPRESSURE: 658600 125.467 -71.9925 190.101 21.3539 118.501 -101.18 190.465 -72.5861 31.713 PRESSAVG: 658600 -19.8848 -5.17854 18.5709 -5.17863 -23.8341 -26.677 18.5708 -26.677 -7.38661 GPRESSAVG: 658600 -19.482 -3.33177 19.1905 -5.62216 -23.6079 -27.1582 16.1709 -28.7847 -7.88586 TIMING: 658600 CPU: 1905.56, 0.00291886/step Wall: 1905.56, 0.00291886/step, 3.51999 hours remaining, 207.101562 MB of memory in use. ENERGY: 658600 713.3100 2104.3420 1959.9737 120.3185 -206376.8974 17998.5689 0.0000 0.0000 34227.2659 -149253.1185 298.9152 -183480.3844 -149160.8405 299.5424 61.8102 91.8934 559105.7350 -17.0352 -16.9919 PRESSURE: 658800 183.053 -16.5384 -154.238 -16.5378 -43.8511 -60.3318 -154.238 -60.3336 -58.5867 GPRESSURE: 658800 249.224 21.9013 -222.313 58.2034 -22.4147 -15.0772 -167.284 73.9122 -59.7911 PRESSAVG: 658800 -3.40451 18.2795 -6.18671 18.2795 -22.9107 9.83778 -6.18676 9.83777 11.2263 GPRESSAVG: 658800 -3.56058 18.2215 -8.39423 18.6555 -23.1969 10.2527 -4.51627 12.7115 11.3446 TIMING: 658800 CPU: 1906.14, 0.00292744/step Wall: 1906.14, 0.00292744/step, 3.53017 hours remaining, 207.101562 MB of memory in use. ENERGY: 658800 746.2130 2058.8236 1964.9161 119.8607 -206372.2300 18085.0726 0.0000 0.0000 34267.1205 -149130.2235 299.2633 -183397.3440 -149038.3032 299.0100 26.8718 55.6728 557289.2724 -5.0296 -5.1376 PRESSURE: 659000 229.417 139.544 -106.693 139.543 251.341 118.667 -106.693 118.667 119.906 GPRESSURE: 659000 311.223 197.089 -147.429 127.691 276.667 9.50472 -147.042 157.589 107.011 PRESSAVG: 659000 49.7115 53.2448 -89.7654 53.2449 -10.2312 -6.12516 -89.7654 -6.12526 10.5013 GPRESSAVG: 659000 49.8717 52.8783 -87.6881 54.8462 -10.0327 -6.54114 -91.842 -7.32847 10.4128 TIMING: 659000 CPU: 1906.73, 0.00291247/step Wall: 1906.73, 0.00291247/step, 3.51195 hours remaining, 207.101562 MB of memory in use. ENERGY: 659000 717.6543 2135.9324 1943.9075 109.4863 -206601.6367 17999.5045 0.0000 0.0000 34297.5623 -149397.5895 299.5291 -183695.1518 -149300.8996 299.2672 200.2216 231.6340 557366.7295 16.6605 16.7506 PRESSURE: 659200 -188.456 -35.8483 -2.50754 -35.8496 9.28287 2.58592 -2.50641 2.58661 -2.80977 GPRESSURE: 659200 -143.333 -85.5979 -6.56528 3.58185 55.6136 15.4752 4.86944 -12.8443 9.23388 PRESSAVG: 659200 -9.54351 25.0169 8.51593 25.0168 -3.27455 0.999173 8.51601 0.999158 -39.3675 GPRESSAVG: 659200 -9.43768 24.8294 7.12072 21.225 -3.59478 1.70114 11.7108 0.594519 -38.6313 TIMING: 659200 CPU: 1907.31, 0.00293152/step Wall: 1907.31, 0.00293152/step, 3.53477 hours remaining, 207.101562 MB of memory in use. ENERGY: 659200 758.5591 2075.5746 1969.4833 120.4795 -206042.9122 17545.1690 0.0000 0.0000 34250.4281 -149323.2187 299.1175 -183573.6468 -149227.6400 299.1799 -60.6610 -26.1619 556928.0735 -17.3952 -17.2212 PRESSURE: 659400 176.886 71.8929 103.719 71.8937 -1.67606 190.929 103.719 190.928 20.4165 GPRESSURE: 659400 189.286 24.0647 166.253 110.308 59.7648 187.418 70.9475 161.828 53.9123 PRESSAVG: 659400 -15.1105 16.6683 24.3992 16.6684 60.2243 32.2266 24.3992 32.2266 -36.385 GPRESSAVG: 659400 -14.7165 15.5619 24.6019 18.6526 59.6779 31.8742 22.6204 31.7083 -36.4052 TIMING: 659400 CPU: 1907.9, 0.00292786/step Wall: 1907.9, 0.00292786/step, 3.53018 hours remaining, 207.101562 MB of memory in use. ENERGY: 659400 713.2426 2098.0950 1930.5138 108.3849 -206380.1812 17864.9089 0.0000 0.0000 34232.4696 -149432.5665 298.9607 -183665.0361 -149342.7821 299.1286 65.2088 100.9877 556517.2185 2.9096 2.8521 PRESSURE: 659600 91.3197 33.4386 125.666 33.4397 16.7868 40.4179 125.664 40.4183 48.7787 GPRESSURE: 659600 81.6246 -2.26556 181.642 29.4367 86.429 12.9082 84.9198 -2.96881 84.1578 PRESSAVG: 659600 26.1625 2.54629 1.32025 2.54625 23.077 19.8173 1.32017 19.8173 -35.6006 GPRESSAVG: 659600 25.6742 2.4359 2.42901 2.16249 23.3517 19.4336 0.529383 19.3868 -35.3407 TIMING: 659600 CPU: 1908.49, 0.00294216/step Wall: 1908.49, 0.00294216/step, 3.54726 hours remaining, 207.113281 MB of memory in use. ENERGY: 659600 751.5774 2099.8438 1935.2006 124.3945 -206395.2529 17901.8520 0.0000 0.0000 34261.6986 -149320.6860 299.2159 -183582.3846 -149235.5624 298.5758 52.2951 84.0705 556352.1000 4.5463 4.5618 PRESSURE: 659800 -241.234 73.7765 -80.516 73.7763 -51.3889 28.7041 -80.5164 28.7047 -138.516 GPRESSURE: 659800 -189.19 3.37244 -68.3828 67.8339 -14.8102 6.69967 -102.724 25.0891 -142.528 PRESSAVG: 659800 -31.5414 51.5975 45.1393 51.5976 1.95314 51.6084 45.1393 51.6084 17.4287 GPRESSAVG: 659800 -30.7154 51.9745 44.7862 50.1798 1.80163 53.3055 45.4897 50.0124 17.0555 TIMING: 659800 CPU: 1909.07, 0.0029262/step Wall: 1909.07, 0.0029262/step, 3.52786 hours remaining, 207.113281 MB of memory in use. ENERGY: 659800 723.1144 2111.2390 1971.4485 125.4309 -206066.5628 17704.3228 0.0000 0.0000 34130.1769 -149300.8302 298.0673 -183431.0071 -149205.9269 299.0281 -143.7130 -115.5093 557605.9367 -4.0532 -3.9528 PRESSURE: 660000 -162.153 111.609 -73.8705 111.61 -252.097 63.7065 -73.8703 63.7078 -250.752 GPRESSURE: 660000 -180.602 121.143 -95.0114 132.391 -198.371 122.688 -58.1681 74.1988 -203.394 PRESSAVG: 660000 -9.37088 -2.21006 38.0762 -2.2101 -0.830247 51.1276 38.0762 51.1276 53.916 GPRESSAVG: 660000 -9.88722 -1.36199 40.5984 -2.37123 -0.38112 49.1175 37.0737 54.5315 53.0784 TIMING: 660000 CPU: 1909.65, 0.00289366/step Wall: 1909.65, 0.00289366/step, 3.48847 hours remaining, 207.113281 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: 660000 743.9926 2137.3902 1941.7969 107.6737 -205793.0353 17426.1859 0.0000 0.0000 34124.5117 -149311.4843 298.0178 -183435.9960 -149212.4466 299.0068 -221.6674 -194.1221 557576.8896 14.5716 14.2700 PRESSURE: 660200 10.4379 -3.37715 -24.1024 -3.37777 6.71489 82.5855 -24.1018 82.5848 -120.216 GPRESSURE: 660200 79.4989 -22.3569 -18.3065 17.3153 26.0961 99.0725 -88.6322 47.358 -107.837 PRESSAVG: 660200 21.225 22.0098 -32.6557 22.0097 21.7083 -7.06542 -32.6557 -7.06545 -63.0172 GPRESSAVG: 660200 21.3498 21.604 -35.7086 22.9744 22.3561 -4.67317 -31.835 -8.94665 -63.075 TIMING: 660200 CPU: 1910.23, 0.00289934/step Wall: 1910.23, 0.00289934/step, 3.49515 hours remaining, 207.113281 MB of memory in use. ENERGY: 660200 701.9754 2080.0313 1965.9241 131.4885 -206164.6279 17609.6887 0.0000 0.0000 34144.3235 -149531.1964 298.1909 -183675.5199 -149439.1346 298.6751 -34.3542 -0.7474 556234.1483 -6.6946 -6.4563 LDB: ============= START OF LOAD BALANCING ============== 1913.62 LDB: ============== END OF LOAD BALANCING =============== 1913.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1913.62 LDB: ============= START OF LOAD BALANCING ============== 1913.92 LDB: Largest compute 4820 load 0.027762 is 23.5% of average load 0.117892 LDB: Average compute 0.001719 is 1.5% of average load 0.117892 LDB: TIME 1913.92 LOAD: AVG 0.117892 MAX 0.184846 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.195 MB LDB: TIME 1913.92 LOAD: AVG 0.117892 MAX 0.184846 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.27 MB LDB: TIME 1913.92 LOAD: AVG 0.117892 MAX 0.184846 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1913.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1913.93 PRESSURE: 660400 -116.474 -54.9506 34.5003 -54.9499 52.804 -12.4052 34.4998 -12.4072 -22.5062 GPRESSURE: 660400 -64.4033 -70.0378 -58.5089 -9.13582 90.5342 -4.5559 78.2669 -13.4414 -14.3638 PRESSAVG: 660400 7.555 17.273 17.8525 17.273 -13.4575 39.0191 17.8526 39.0191 -29.0857 GPRESSAVG: 660400 7.9424 16.9739 15.6887 16.9916 -13.483 37.8478 19.6117 38.5756 -29.3628 TIMING: 660400 CPU: 1910.83, 0.00301718/step Wall: 1910.83, 0.00301718/step, 3.63705 hours remaining, 206.871094 MB of memory in use. ENERGY: 660400 727.8793 2036.3578 1955.6755 108.6984 -206283.8187 17757.2027 0.0000 0.0000 34235.5228 -149462.4821 298.9873 -183698.0049 -149366.2476 298.5451 -28.7253 3.9223 556887.6424 -11.6627 -11.6345 PRESSURE: 660600 -263.177 -75.3394 18.445 -75.3397 -257.339 150.034 18.4455 150.033 -258.555 GPRESSURE: 660600 -210.778 -54.2296 59.0972 -19.4996 -198.594 111.829 -33.8214 169.74 -270.615 PRESSAVG: 660600 51.079 -11.349 51.2047 -11.349 5.48344 -26.1795 51.2047 -26.1794 -83.3558 GPRESSAVG: 660600 50.8157 -11.5136 53.335 -10.324 4.82165 -27.0942 49.6324 -25.1915 -82.7219 TIMING: 660600 CPU: 1911.42, 0.00294173/step Wall: 1911.42, 0.00294173/step, 3.54593 hours remaining, 207.074219 MB of memory in use. ENERGY: 660600 712.7426 2124.1975 1916.2006 116.7344 -206036.3577 17406.2815 0.0000 0.0000 34168.2441 -149591.9570 298.3998 -183760.2011 -149485.9941 298.4147 -259.6902 -226.6622 558883.2574 -8.9311 -9.0282 PRESSURE: 660800 66.4417 44.4348 -7.28341 44.4342 204.86 -153.204 -7.28408 -153.201 -24.349 GPRESSURE: 660800 106.591 138.033 -42.7638 -12.5573 223.429 -169.724 -0.710846 -99.3976 14.3934 PRESSAVG: 660800 -1.18715 -28.0612 -19.1198 -28.0613 28.6175 -3.21641 -19.1197 -3.21636 17.7394 GPRESSAVG: 660800 -2.35675 -27.4646 -20.5071 -28.8631 29.6587 -1.8869 -17.0282 -2.8455 17.4073 TIMING: 660800 CPU: 1912.01, 0.00294121/step Wall: 1912.01, 0.00294121/step, 3.54514 hours remaining, 207.074219 MB of memory in use. ENERGY: 660800 735.4394 2043.3449 1944.9833 118.3982 -206497.7147 17945.3865 0.0000 0.0000 34307.8779 -149402.2846 299.6192 -183710.1625 -149301.7140 298.5690 82.3176 114.8044 556407.2792 15.0566 14.9031 PRESSURE: 661000 194.875 -57.5025 67.0183 -57.5028 60.9542 96.428 67.0183 96.4292 2.327 GPRESSURE: 661000 227.078 -56.0595 127.072 -21.2719 86.7902 79.2909 116.932 140.141 41.5217 PRESSAVG: 661000 17.3867 17.3099 60.2447 17.3098 -15.5184 3.11244 60.2447 3.11244 -3.50025 GPRESSAVG: 661000 16.9041 17.5306 62.9001 16.7943 -15.5241 0.8317 58.0869 2.77525 -2.82826 TIMING: 661000 CPU: 1912.6, 0.00292384/step Wall: 1912.6, 0.00292384/step, 3.52404 hours remaining, 207.074219 MB of memory in use. ENERGY: 661000 724.4303 2117.6286 1949.9853 130.5958 -206298.2615 17836.4547 0.0000 0.0000 34184.0359 -149355.1309 298.5377 -183539.1668 -149262.3814 298.5637 86.0521 118.4632 554928.3867 -0.5440 -0.4827 PRESSURE: 661200 47.1102 -117.131 50.2045 -117.131 111.766 -68.4398 50.2046 -68.4412 61.7003 GPRESSURE: 661200 72.095 -95.1606 43.9905 -78.5332 139.319 -113.182 77.8783 -39.9339 111.278 PRESSAVG: 661200 -40.7517 15.2034 21.7536 15.2034 39.0784 7.34922 21.7537 7.34917 -14.3777 GPRESSAVG: 661200 -40.5785 13.8113 21.9436 14.4208 39.2165 8.61914 20.6528 6.17121 -14.99 TIMING: 661200 CPU: 1913.18, 0.00290383/step Wall: 1913.18, 0.00290383/step, 3.49976 hours remaining, 207.074219 MB of memory in use. ENERGY: 661200 734.7582 2094.5308 1928.0406 118.1597 -206562.8249 18011.4258 0.0000 0.0000 34355.1705 -149320.7393 300.0322 -183675.9098 -149221.2205 299.5604 73.5255 107.5637 556697.6562 -5.3503 -5.4507 PRESSURE: 661400 39.8349 48.3992 72.6253 48.3967 151.812 -73.2043 72.624 -73.2023 -149 GPRESSURE: 661400 103.003 43.2527 127.105 -7.05073 166.825 -40.0172 64.4761 -61.3838 -130.109 PRESSAVG: 661400 -43.678 5.34991 -22.2858 5.34997 92.5928 -11.1414 -22.2859 -11.1415 -21.5579 GPRESSAVG: 661400 -42.9719 6.90769 -23.741 6.49927 91.8053 -9.13506 -22.8307 -11.9176 -21.8163 TIMING: 661400 CPU: 1913.76, 0.00290646/step Wall: 1913.76, 0.00290646/step, 3.50277 hours remaining, 207.074219 MB of memory in use. ENERGY: 661400 723.1117 2151.0738 1981.0407 114.7107 -206115.1696 17868.2673 0.0000 0.0000 34149.3387 -149127.6267 298.2347 -183276.9654 -149032.4791 299.3160 14.2156 46.5729 557070.0276 9.1190 9.0057 PRESSURE: 661600 -136.023 39.6742 27.8039 39.6746 -134.926 59.5391 27.8038 59.5405 132.702 GPRESSURE: 661600 -116.481 57.9509 81.9725 -35.6924 -63.3621 98.303 26.277 -24.3441 130.617 PRESSAVG: 661600 -60.3496 -6.81713 -0.769091 -6.81719 111.926 36.0682 -0.769124 36.0682 -62.7521 GPRESSAVG: 661600 -60.6967 -8.13493 1.37193 -6.76519 112.802 33.0956 1.33388 38.0225 -63.3028 TIMING: 661600 CPU: 1914.34, 0.00291786/step Wall: 1914.34, 0.00291786/step, 3.51635 hours remaining, 207.074219 MB of memory in use. ENERGY: 661600 784.9325 2086.9783 1933.4396 119.4533 -206431.2364 17858.1848 0.0000 0.0000 34609.6687 -149038.5793 302.2548 -183648.2480 -148943.1709 300.1830 -46.0822 -16.4087 557303.5546 -3.7253 -3.7325 PRESSURE: 661800 -126.111 32.0659 -67.5568 32.065 -141.28 26.8036 -67.5557 26.8039 -228.826 GPRESSURE: 661800 -45.7859 -81.4169 2.72417 108.902 -128.711 -30.9051 -95.4432 21.0721 -238.097 PRESSAVG: 661800 -66.3821 38.1344 29.197 38.1344 -7.44119 -54.7949 29.1969 -54.795 60.3798 GPRESSAVG: 661800 -65.5951 38.9931 27.82 35.9129 -7.37537 -54.1455 30.256 -53.0927 59.2493 TIMING: 661800 CPU: 1914.93, 0.0029183/step Wall: 1914.93, 0.0029183/step, 3.51671 hours remaining, 207.074219 MB of memory in use. ENERGY: 661800 754.6150 2067.4016 1971.2007 108.6149 -206076.2420 17694.5763 0.0000 0.0000 34443.5056 -149036.3279 300.8037 -183479.8336 -148941.4062 300.1634 -165.4060 -137.5311 558300.1115 -4.4812 -4.5737 PRESSURE: 662000 255.382 50.4062 -76.9787 50.4069 60.3108 115.501 -76.9799 115.502 73.1424 GPRESSURE: 662000 303.032 -26.7654 -69.7287 45.3579 41.6057 21.5621 -108.796 67.1033 135.058 PRESSAVG: 662000 47.959 54.9396 -28.994 54.9397 10.7578 -57.4624 -28.994 -57.4624 -34.1586 GPRESSAVG: 662000 46.9755 55.9545 -30.6678 56.5898 9.96349 -59.0353 -29.3904 -60.2229 -32.6893 TIMING: 662000 CPU: 1915.51, 0.00293227/step Wall: 1915.51, 0.00293227/step, 3.53339 hours remaining, 207.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 662000 728.5455 2099.0447 1958.1511 118.7470 -206738.1589 18158.5557 0.0000 0.0000 34628.2467 -149046.8682 302.4171 -183675.1149 -148949.5567 300.3941 129.6117 159.8985 557110.5486 8.1861 8.0832 PRESSURE: 662200 -178.681 71.8878 70.9898 71.8878 21.337 57.3192 70.9896 57.3186 178.699 GPRESSURE: 662200 -149.386 9.2829 107.943 86.6688 13.0682 18.3875 -11.4878 93.308 250.557 PRESSAVG: 662200 -31.1932 -31.7905 -7.99481 -31.7904 -51.3796 23.1445 -7.99483 23.1446 61.7224 GPRESSAVG: 662200 -30.8989 -33.6898 -7.21303 -31.7092 -51.6449 24.2942 -8.30001 24.5368 61.5127 TIMING: 662200 CPU: 1916.09, 0.00290916/step Wall: 1916.09, 0.00290916/step, 3.50538 hours remaining, 207.074219 MB of memory in use. ENERGY: 662200 743.5590 2121.4222 1931.3752 116.3840 -206412.8102 17865.7380 0.0000 0.0000 34486.9746 -149147.3571 301.1833 -183634.3316 -149044.5801 300.2293 7.1184 38.0796 557591.3092 -6.9501 -7.0104 PRESSURE: 662400 205.64 -105.193 -82.5597 -105.193 126.573 24.8081 -82.5591 24.8073 304.396 GPRESSURE: 662400 228.212 -190.109 -61.8832 -108.324 149.389 67.4999 -110.141 -41.6349 348.132 PRESSAVG: 662400 30.5176 5.3461 -22.1165 5.34606 -35.5405 22.7267 -22.1165 22.7267 10.3386 GPRESSAVG: 662400 30.1782 4.00985 -20.9097 5.96008 -34.8725 23.6395 -23.5427 22.6066 10.187 TIMING: 662400 CPU: 1916.68, 0.00292575/step Wall: 1916.68, 0.00292575/step, 3.52521 hours remaining, 207.074219 MB of memory in use. ENERGY: 662400 750.5150 2108.7087 1930.2760 107.0480 -206795.8962 18247.8579 0.0000 0.0000 34342.0679 -149309.4226 299.9178 -183651.4905 -149217.6106 299.7402 212.2031 241.9109 557171.1733 1.7719 1.8309 PRESSURE: 662600 -113.991 -25.7012 13.6824 -25.701 -242.252 2.5006 13.6819 2.49978 88.3854 GPRESSURE: 662600 -66.6699 -46.6533 10.95 -66.0592 -257.385 -24.4898 43.4251 29.4025 141.228 PRESSAVG: 662600 -56.2928 -32.7529 -42.3413 -32.7528 16.4042 20.1165 -42.3413 20.1165 42.446 GPRESSAVG: 662600 -56.5479 -30.8963 -42.2339 -34.0452 15.9129 20.8881 -41.7759 21.2339 43.2979 TIMING: 662600 CPU: 1917.26, 0.00290886/step Wall: 1917.26, 0.00290886/step, 3.5047 hours remaining, 207.074219 MB of memory in use. ENERGY: 662600 774.2698 2128.8784 1956.4824 107.7093 -206231.0960 17803.1940 0.0000 0.0000 34190.5537 -149270.0084 298.5946 -183460.5621 -149179.3332 299.5731 -89.2859 -60.9421 559539.9287 0.8525 0.8876 PRESSURE: 662800 50.4934 89.3755 219.413 89.3764 -143.613 130.364 219.412 130.366 115.688 GPRESSURE: 662800 78.7813 27.949 252.213 186.332 -67.6899 159.123 209.309 133.89 120.489 PRESSAVG: 662800 -16.2072 40.0467 59.3059 40.0467 -34.4643 0.45429 59.306 0.454211 17.8444 GPRESSAVG: 662800 -14.8026 38.8244 60.1197 39.3633 -34.5731 -1.90892 59.5092 -0.310548 17.0146 TIMING: 662800 CPU: 1917.84, 0.00292075/step Wall: 1917.84, 0.00292075/step, 3.51885 hours remaining, 207.074219 MB of memory in use. ENERGY: 662800 766.5727 2109.3255 1972.3317 108.9773 -206333.3539 17878.1541 0.0000 0.0000 34226.1012 -149271.8914 298.9051 -183497.9926 -149181.2463 299.2384 7.5226 43.8602 557469.1902 -10.9424 -10.7871 PRESSURE: 663000 41.4725 1.69231 -135.063 1.69348 215.867 -119.271 -135.064 -119.27 -21.2949 GPRESSURE: 663000 87.5841 -44.7411 -159.604 15.9173 227.781 -125.571 -130.48 -76.329 6.94036 PRESSAVG: 663000 -20.1978 6.55018 -5.5962 6.55026 66.0557 25.1463 -5.59613 25.1463 3.9947 GPRESSAVG: 663000 -20.355 8.1387 -4.83455 7.40844 67.3722 28.2086 -7.05393 24.6395 3.19568 TIMING: 663000 CPU: 1918.43, 0.00293169/step Wall: 1918.43, 0.00293169/step, 3.53187 hours remaining, 207.074219 MB of memory in use. ENERGY: 663000 720.8734 2073.4337 1955.8055 105.5977 -206187.5090 17701.4302 0.0000 0.0000 34295.8647 -149334.5038 299.5143 -183630.3685 -149241.3001 299.1250 78.6815 107.4350 556229.1400 16.6175 16.7376 PRESSURE: 663200 228.392 40.676 -129.11 40.6759 -255.797 92.5392 -129.111 92.5385 256.067 GPRESSURE: 663200 261.38 56.5349 -183.836 -46.6805 -231.169 95.6322 -147.268 131.682 292.051 PRESSAVG: 663200 45.8311 37.2987 -0.534321 37.2987 -70.2066 -3.5534 -0.534296 -3.55329 9.63597 GPRESSAVG: 663200 45.7529 37.5801 -1.58961 36.3094 -72.2306 -3.78251 0.892922 -3.59222 11.2967 TIMING: 663200 CPU: 1919.01, 0.002908/step Wall: 1919.01, 0.002908/step, 3.50317 hours remaining, 207.074219 MB of memory in use. ENERGY: 663200 725.3577 2079.7173 1942.6613 106.7518 -206173.0447 17777.3462 0.0000 0.0000 34094.5311 -149446.6794 297.7560 -183541.2105 -149343.3994 298.6883 76.2208 107.4207 556298.8265 -4.9132 -5.0604 PRESSURE: 663400 -107.428 64.1633 244.584 64.1615 -342.567 63.2731 244.584 63.2747 -249.44 GPRESSURE: 663400 -103.625 -30.7595 284.7 107.636 -314.53 82.8196 187.827 108.614 -197.629 PRESSAVG: 663400 98.5559 -3.26492 19.4469 -3.26491 -74.1202 3.37846 19.447 3.37845 -47.5701 GPRESSAVG: 663400 97.7184 -5.08775 17.0481 -0.279269 -73.6245 3.50244 21.1067 2.06291 -47.3732 TIMING: 663400 CPU: 1919.59, 0.00289092/step Wall: 1919.59, 0.00289092/step, 3.48243 hours remaining, 207.074219 MB of memory in use. ENERGY: 663400 749.3131 2018.5787 1961.3416 112.9285 -206055.2044 17562.1229 0.0000 0.0000 34228.2014 -149422.7182 298.9234 -183650.9196 -149323.4033 298.7266 -233.1449 -205.2612 558049.3557 -7.7115 -7.7598 PRESSURE: 663600 272.624 -23.9475 -51.0651 -23.9482 178.276 26.7159 -51.0639 26.7152 -161.581 GPRESSURE: 663600 279.942 -47.7537 -65.6309 41.8982 213.643 90.9247 -87.4636 61.3287 -104.385 PRESSAVG: 663600 -26.719 23.5914 -14.1453 23.5914 -0.0545602 -0.587125 -14.1454 -0.587197 -19.2827 GPRESSAVG: 663600 -26.2487 23.1116 -13.7903 22.3617 0.174074 -0.980208 -15.7545 2.73886 -19.9309 TIMING: 663600 CPU: 1920.17, 0.00288521/step Wall: 1920.17, 0.00288521/step, 3.47539 hours remaining, 207.074219 MB of memory in use. ENERGY: 663600 735.8244 2120.2156 1923.5208 118.4675 -206551.8837 17954.1441 0.0000 0.0000 34236.1053 -149463.6059 298.9924 -183699.7112 -149368.8180 298.8690 96.4399 129.7335 556480.9000 -15.3521 -15.3352 PRESSURE: 663800 219.775 -36.2576 -42.6607 -36.2578 137.071 138.319 -42.6603 138.319 -22.1361 GPRESSURE: 663800 220.535 -76.3111 -7.50896 21.5696 172.495 108.469 -92.4974 93.6518 32.8227 PRESSAVG: 663800 56.6459 -23.8221 -40.2283 -23.8221 -37.5241 40.3289 -40.2283 40.329 0.515771 GPRESSAVG: 663800 56.3106 -23.3988 -36.0583 -24.5323 -38.1245 41.0572 -43.1769 38.043 1.32036 TIMING: 663800 CPU: 1920.76, 0.00294079/step Wall: 1920.76, 0.00294079/step, 3.54218 hours remaining, 207.074219 MB of memory in use. ENERGY: 663800 724.3988 2142.0321 1966.1415 107.5007 -206620.7701 18059.3298 0.0000 0.0000 33982.3358 -149639.0314 296.7762 -183621.3672 -149543.3993 297.9286 111.5701 141.9509 556688.8175 6.5459 6.5022 PRESSURE: 664000 95.9026 117.657 37.5209 117.657 68.7736 179.746 37.5212 179.746 -209.95 GPRESSURE: 664000 111.168 110.897 97.1061 160.089 88.8081 186.445 35.4123 276.188 -149.823 PRESSAVG: 664000 33.4438 56.7402 -19.7584 56.7401 -41.1915 60.4203 -19.7585 60.4203 -4.75052 GPRESSAVG: 664000 33.9379 56.2066 -22.8408 59.0309 -41.0274 60.4556 -16.0269 60.7179 -5.58792 TIMING: 664000 CPU: 1921.34, 0.00293849/step Wall: 1921.34, 0.00293849/step, 3.53925 hours remaining, 207.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 664000 707.5138 2170.6334 1968.2500 132.0908 -206391.4416 17751.2292 0.0000 0.0000 34177.4255 -149484.2988 298.4800 -183661.7244 -149388.8682 298.0840 -15.0911 16.7178 556351.6662 -4.1661 -4.2258 PRESSURE: 664200 137.948 -96.2876 23.5151 -96.2884 -94.0731 139.171 23.5153 139.17 -183.396 GPRESSURE: 664200 189.825 -94.0514 38.464 -84.0933 -51.4951 95.2871 45.215 94.0705 -179.658 PRESSAVG: 664200 73.6628 18.295 13.9634 18.2951 -38.5154 91.4153 13.9635 91.4153 -26.4675 GPRESSAVG: 664200 74.2131 18.2054 14.887 17.7273 -38.7161 91.2397 13.8552 90.1523 -26.9454 TIMING: 664200 CPU: 1921.93, 0.00294091/step Wall: 1921.93, 0.00294091/step, 3.542 hours remaining, 207.074219 MB of memory in use. ENERGY: 664200 767.3820 2087.5206 1959.5042 108.6943 -206252.2134 17707.4393 0.0000 0.0000 34275.3110 -149346.3622 299.3348 -183621.6732 -149254.9509 298.8357 -46.5070 -13.7759 555413.1866 2.8933 2.8505 LDB: ============= START OF LOAD BALANCING ============== 1925.32 LDB: ============== END OF LOAD BALANCING =============== 1925.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1925.32 LDB: ============= START OF LOAD BALANCING ============== 1925.61 LDB: Largest compute 4820 load 0.027255 is 23.1% of average load 0.117918 LDB: Average compute 0.001714 is 1.5% of average load 0.117918 LDB: TIME 1925.62 LOAD: AVG 0.117918 MAX 0.185324 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.359 MB LDB: TIME 1925.62 LOAD: AVG 0.117918 MAX 0.185324 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: TIME 1925.62 LOAD: AVG 0.117918 MAX 0.185324 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1925.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1925.62 PRESSURE: 664400 99.5942 65.8757 13.9764 65.8762 15.0109 178.833 13.9774 178.832 -250.151 GPRESSURE: 664400 94.8424 105.402 5.73136 62.5539 63.9753 206.75 69.7064 154.187 -204.662 PRESSAVG: 664400 46.6787 -4.46109 11.3817 -4.46109 -8.24668 -23.4771 11.3818 -23.4771 -45.7906 GPRESSAVG: 664400 45.3612 -4.75341 9.23102 -5.47822 -7.18236 -23.8825 11.5183 -23.1142 -45.6512 TIMING: 664400 CPU: 1922.53, 0.00297374/step Wall: 1922.53, 0.00297374/step, 3.58138 hours remaining, 205.363281 MB of memory in use. ENERGY: 664400 795.6266 2149.2723 1926.5902 110.3361 -206264.4685 17862.0710 0.0000 0.0000 34064.3205 -149356.2517 297.4922 -183420.5722 -149257.8011 298.9884 -45.1819 -15.2815 556831.7634 -2.4529 -2.4908 PRESSURE: 664600 72.8229 -260.809 33.6054 -260.808 241.304 -3.63676 33.6046 -3.63744 369.745 GPRESSURE: 664600 116.083 -187.345 99.5431 -291.782 256.37 -23.6482 39.6349 9.03263 407.413 PRESSAVG: 664600 3.23502 -10.4296 8.76787 -10.4296 -33.0383 24.8515 8.76782 24.8514 27.5176 GPRESSAVG: 664600 2.46283 -9.06499 10.7074 -11.841 -33.0995 25.3613 8.85422 25.3628 28.4069 TIMING: 664600 CPU: 1923.11, 0.00291608/step Wall: 1923.11, 0.00291608/step, 3.51177 hours remaining, 205.363281 MB of memory in use. ENERGY: 664600 724.8354 2097.8268 1937.7372 119.2656 -206415.1500 18066.6744 0.0000 0.0000 34070.6876 -149398.1230 297.5478 -183468.8106 -149304.3556 299.0203 227.9574 259.9552 555876.9820 -0.7619 -0.7433 PRESSURE: 664800 36.7388 206.186 -86.4548 206.184 42.4315 -144.683 -86.4548 -144.683 119.788 GPRESSURE: 664800 70.0174 251.15 -159.482 137.55 124.943 -157.042 -94.149 -145.029 89.0088 PRESSAVG: 664800 84.181 -7.72361 -19.5835 -7.72365 -23.5223 -10.8109 -19.5835 -10.8109 -60.3898 GPRESSAVG: 664800 84.4733 -7.12932 -21.6524 -6.42804 -21.8399 -10.6644 -18.6506 -11.5557 -62.6763 TIMING: 664800 CPU: 1923.69, 0.00290987/step Wall: 1923.69, 0.00290987/step, 3.50413 hours remaining, 205.363281 MB of memory in use. ENERGY: 664800 723.9249 2119.8809 1943.2369 124.6620 -206584.4231 17872.1499 0.0000 0.0000 34320.3194 -149480.2491 299.7279 -183800.5685 -149382.7283 298.7674 66.3194 94.6564 555945.2454 0.0896 -0.0143 PRESSURE: 665000 212.691 239.633 -70.9136 239.634 485.103 -105.251 -70.9131 -105.251 -5.80278 GPRESSURE: 665000 235.002 248.101 -196.531 284.192 474.666 -196.826 -40.579 -68.788 60.0419 PRESSAVG: 665000 39.1172 59.1226 -31.3097 59.1227 -30.1388 -59.5192 -31.3096 -59.5191 -35.468 GPRESSAVG: 665000 39.9497 58.6829 -29.117 57.8737 -31.7441 -62.9272 -32.0047 -57.9188 -34.4243 TIMING: 665000 CPU: 1924.28, 0.00292505/step Wall: 1924.28, 0.00292505/step, 3.52224 hours remaining, 205.363281 MB of memory in use. ENERGY: 665000 717.8645 2084.8109 1961.3060 109.8903 -206795.2190 18225.6898 0.0000 0.0000 34231.1664 -149464.4911 298.9493 -183695.6576 -149376.2927 298.7952 230.6635 256.5697 554861.6478 -8.8299 -8.7396 PRESSURE: 665200 203.598 163.711 -45.3406 163.71 29.1435 -22.2011 -45.34 -22.2011 -137.538 GPRESSURE: 665200 241.299 102.167 9.89122 206.12 51.7389 -39.5352 -28.8137 -15.7676 -98.9782 PRESSAVG: 665200 74.7802 45.4877 -6.79659 45.4877 -35.6096 14.3051 -6.79655 14.3052 -22.8777 GPRESSAVG: 665200 75.8695 44.9876 -7.97628 44.7357 -36.0535 18.8698 -5.64936 13.1715 -23.248 TIMING: 665200 CPU: 1924.86, 0.00291773/step Wall: 1924.86, 0.00291773/step, 3.51327 hours remaining, 205.363281 MB of memory in use. ENERGY: 665200 762.2801 2049.4453 1962.4809 115.9093 -206269.7473 17681.9304 0.0000 0.0000 34170.9218 -149526.7795 298.4232 -183697.7013 -149429.0641 298.5806 31.7347 64.6865 556338.8509 5.4310 5.5227 PRESSURE: 665400 -23.3259 -103.289 -38.4855 -103.289 -301.475 100.824 -38.4859 100.824 -125.215 GPRESSURE: 665400 -20.2999 -67.6162 -14.3992 -103.119 -229.657 116.954 2.41439 212.234 -108.758 PRESSAVG: 665400 4.38075 5.7369 -28.8513 5.73694 0.0501877 22.1551 -28.8512 22.1551 -2.08512 GPRESSAVG: 665400 3.19285 4.45497 -28.382 7.6313 -0.893717 22.3184 -28.5369 21.2525 -0.632999 TIMING: 665400 CPU: 1925.45, 0.00292702/step Wall: 1925.45, 0.00292702/step, 3.5243 hours remaining, 205.363281 MB of memory in use. ENERGY: 665400 763.9240 2055.9750 1952.5751 114.5164 -205889.6603 17452.9447 0.0000 0.0000 34067.0578 -149482.6674 297.5161 -183549.7252 -149389.2420 298.2250 -150.0053 -119.5717 556656.8854 0.7819 0.5554 PRESSURE: 665600 295.554 52.3179 270.531 52.3194 193.474 -37.5222 270.531 -37.5207 -141.072 GPRESSURE: 665600 281.425 23.7143 279.003 75.3165 232.671 -33.1814 303.562 -24.0192 -81.6632 PRESSAVG: 665600 44.866 -25.1794 -10.5394 -25.1794 -42.4249 23.4585 -10.5394 23.4586 -14.6716 GPRESSAVG: 665600 45.6928 -22.2887 -11.0398 -26.5279 -41.6147 21.8381 -11.6396 24.4137 -16.1246 TIMING: 665600 CPU: 1926.03, 0.0029199/step Wall: 1926.03, 0.0029199/step, 3.51555 hours remaining, 205.363281 MB of memory in use. ENERGY: 665600 767.2130 2039.8845 1965.4175 111.5211 -206779.1224 18155.2940 0.0000 0.0000 34342.3593 -149397.4330 299.9204 -183739.7923 -149301.2447 298.9440 115.9855 144.1441 555210.9021 -4.0768 -4.0155 PRESSURE: 665800 -188.005 -61.4614 103.476 -61.4623 -401.284 73.5528 103.476 73.5531 92.8984 GPRESSURE: 665800 -117.68 -102.796 136.913 26.0524 -320.863 117.92 59.3069 68.413 43.6528 PRESSAVG: 665800 -1.12881 -28.6586 4.78374 -28.6586 -31.4519 35.3384 4.78378 35.3384 25.1497 GPRESSAVG: 665800 -2.21877 -30.7245 4.87978 -27.3892 -30.0783 33.688 4.76016 37.3807 25.4821 TIMING: 665800 CPU: 1926.61, 0.0029176/step Wall: 1926.61, 0.0029176/step, 3.51263 hours remaining, 205.363281 MB of memory in use. ENERGY: 665800 739.0628 2113.8985 1960.3533 105.6092 -206159.0486 17474.8608 0.0000 0.0000 34429.4216 -149335.8423 300.6807 -183765.2639 -149238.4651 298.3382 -165.4632 -131.6302 555810.8730 -2.4770 -2.2716 PRESSURE: 666000 231.83 -58.7944 51.1281 -58.7942 97.4196 -32.1331 51.1281 -32.1329 211.515 GPRESSURE: 666000 253.032 -75.5056 -7.06645 -59.8029 149.372 -42.8472 -12.9546 -66.4538 241.053 PRESSAVG: 666000 13.7391 -70.3035 -8.97653 -70.3036 -49.3509 -45.9709 -8.97656 -45.9709 11.1458 GPRESSAVG: 666000 12.9045 -70.8867 -9.42014 -71.4195 -50.9578 -45.3502 -10.3349 -45.9728 12.9712 TIMING: 666000 CPU: 1927.2, 0.0029335/step Wall: 1927.2, 0.0029335/step, 3.53161 hours remaining, 205.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 666000 739.2798 2170.9434 1912.3804 118.8764 -206529.9326 17952.7501 0.0000 0.0000 34287.8619 -149347.8407 299.4444 -183635.7025 -149254.1980 298.7478 180.2550 214.4855 554421.1071 -8.1554 -8.3607 PRESSURE: 666200 129.058 103.214 -94.6866 103.214 167.976 89.3429 -94.6856 89.3438 273.609 GPRESSURE: 666200 181.944 75.9138 -85.8683 147.58 144.57 182.913 -53.308 49.8684 335.402 PRESSAVG: 666200 54.6786 31.9892 -86.1668 31.9892 -46.4783 -5.84207 -86.1667 -5.8421 6.91874 GPRESSAVG: 666200 56.4604 31.7768 -86.2217 33.2239 -47.0051 -3.58522 -84.1238 -8.50309 5.43667 TIMING: 666200 CPU: 1927.78, 0.00292339/step Wall: 1927.78, 0.00292339/step, 3.51927 hours remaining, 205.363281 MB of memory in use. ENERGY: 666200 724.2840 2111.2264 1935.4081 111.2035 -206883.7707 18169.8972 0.0000 0.0000 34420.0799 -149411.6716 300.5991 -183831.7515 -149308.3418 299.6700 190.2141 220.6387 556373.1556 5.0397 4.9640 PRESSURE: 666400 -145.834 -34.7927 44.4043 -34.7918 131.759 -80.0212 44.4045 -80.0194 -70.291 GPRESSURE: 666400 -75.8558 -14.2648 -36.627 -65.4861 107.076 -55.6542 114.327 -102.078 -20.5076 PRESSAVG: 666400 -3.50774 -15.2316 -5.90661 -15.2317 0.512158 -21.7258 -5.90657 -21.7256 27.8636 GPRESSAVG: 666400 -4.14686 -13.5178 -4.27003 -18.5755 0.497451 -22.0453 -7.5045 -20.8892 28.5124 TIMING: 666400 CPU: 1928.37, 0.00291828/step Wall: 1928.37, 0.00291828/step, 3.51296 hours remaining, 205.363281 MB of memory in use. ENERGY: 666400 747.1325 2133.0671 1944.8100 114.0922 -206444.5584 17869.8539 0.0000 0.0000 34192.2059 -149443.3968 298.6090 -183635.6028 -149339.1513 298.2756 -28.1218 3.5708 557627.9320 8.2893 8.2877 PRESSURE: 666600 295.173 73.1119 98.4317 73.1112 25.2676 -31.3183 98.4329 -31.3189 -142.718 GPRESSURE: 666600 256.896 40.0373 94.8284 79.0498 57.886 -185.338 58.1207 32.7448 -37.5482 PRESSAVG: 666600 2.95825 -23.27 -11.1297 -23.27 -7.91842 11.244 -11.1297 11.2439 -12.7721 GPRESSAVG: 666600 3.38584 -24.274 -12.4661 -19.8305 -8.49801 11.4269 -9.22187 10.3074 -12.7301 TIMING: 666600 CPU: 1928.95, 0.00293023/step Wall: 1928.95, 0.00293023/step, 3.52719 hours remaining, 205.363281 MB of memory in use. ENERGY: 666600 758.5972 2123.7099 1957.5192 111.0223 -206736.2161 18021.2232 0.0000 0.0000 34419.2937 -149344.8506 300.5923 -183764.1443 -149250.9776 298.7546 59.2409 92.4112 555866.1343 -5.9107 -5.9474 PRESSURE: 666800 186.123 124.026 -42.5002 124.026 113.701 -35.0005 -42.5008 -34.9994 6.30216 GPRESSURE: 666800 267.055 27.0286 -0.722583 105.306 84.9871 6.06047 -27.5424 17.5022 50.1516 PRESSAVG: 666800 40.059 11.1008 -79.1223 11.1008 -38.2796 -46.4368 -79.1223 -46.4368 -12.5043 GPRESSAVG: 666800 40.533 9.45445 -78.7644 11.0829 -37.1643 -46.1342 -78.2662 -45.3389 -13.9098 TIMING: 666800 CPU: 1929.53, 0.00290382/step Wall: 1929.53, 0.00290382/step, 3.49523 hours remaining, 205.363281 MB of memory in use. ENERGY: 666800 734.2203 2049.7331 1973.1463 115.7339 -206329.6099 17875.5061 0.0000 0.0000 34329.0937 -149252.1764 299.8045 -183581.2701 -149153.8173 299.0932 102.0421 134.0646 557049.4905 -3.5750 -3.5137 PRESSURE: 667000 80.6756 97.0417 24.9037 97.0421 -246.997 11.827 24.9023 11.8267 -91.078 GPRESSURE: 667000 95.2316 65.3796 7.80786 86.3689 -187.108 -38.6247 69.2134 29.5712 -82.1988 PRESSAVG: 667000 -12.3972 13.7745 -7.32464 13.7744 -27.0121 -15.4149 -7.32472 -15.4149 -19.8851 GPRESSAVG: 667000 -12.9578 16.6741 -6.77316 12.2882 -27.9151 -15.6535 -7.79509 -15.3543 -19.4262 TIMING: 667000 CPU: 1930.12, 0.00291949/step Wall: 1930.12, 0.00291949/step, 3.51393 hours remaining, 205.363281 MB of memory in use. ENERGY: 667000 746.2343 2033.7748 1948.0104 107.8284 -206261.8092 17761.3175 0.0000 0.0000 34358.9574 -149305.6864 300.0653 -183664.6438 -149208.0381 299.9042 -85.7999 -58.0251 556576.8223 -19.7648 -20.0997 PRESSURE: 667200 -71.7267 211.755 -88.0903 211.755 -80.0204 63.5477 -88.0901 63.5481 -7.79933 GPRESSURE: 667200 -0.525187 231.483 -123.814 128.866 -82.3254 42.1455 -27.8041 53.905 19.844 PRESSAVG: 667200 80.7594 41.9956 -30.7672 41.9958 -29.9126 20.951 -30.7672 20.9509 8.42148 GPRESSAVG: 667200 80.0005 42.167 -32.1412 41.8537 -29.2014 20.3079 -30.8496 20.0654 8.31499 TIMING: 667200 CPU: 1930.7, 0.00292716/step Wall: 1930.7, 0.00292716/step, 3.523 hours remaining, 205.363281 MB of memory in use. ENERGY: 667200 732.8121 2096.9513 1936.6337 122.3994 -206027.0638 17564.9766 0.0000 0.0000 34403.8534 -149169.4374 300.4574 -183573.2907 -149075.3790 299.7224 -53.1821 -21.0022 557146.6097 19.7561 19.7047 PRESSURE: 667400 -61.6868 -85.7623 21.5712 -85.763 -243.39 93.5468 21.5702 93.546 131.832 GPRESSURE: 667400 -44.4399 -93.6941 35.6702 -70.416 -212.235 55.5426 3.47999 87.9848 171.779 PRESSAVG: 667400 15.2525 4.16989 -22.5041 4.16994 -59.9426 23.5813 -22.5042 23.5813 10.6049 GPRESSAVG: 667400 16.3289 4.71604 -21.615 3.44256 -60.5328 21.8871 -22.858 26.6713 9.98454 TIMING: 667400 CPU: 1931.29, 0.0029209/step Wall: 1931.29, 0.0029209/step, 3.51531 hours remaining, 205.363281 MB of memory in use. ENERGY: 667400 717.8503 2110.6690 1958.3785 117.3148 -206266.4752 17723.8599 0.0000 0.0000 34450.6076 -149187.7951 300.8657 -183638.4027 -149081.9633 299.6943 -57.7483 -28.2987 557561.8011 -11.3617 -11.4065 PRESSURE: 667600 -65.7956 76.4703 146.379 76.4704 -8.99405 41.6905 146.378 41.6886 -188.517 GPRESSURE: 667600 -29.4216 107.262 68.2481 104.564 -35.6894 84.6551 214.786 88.8523 -100.55 PRESSAVG: 667600 -47.7448 -12.1163 39.099 -12.1163 12.6526 32.3091 39.099 32.309 13.703 GPRESSAVG: 667600 -48.8056 -13.8753 39.0686 -9.77262 12.8684 31.6168 37.4215 31.6089 14.4293 TIMING: 667600 CPU: 1931.87, 0.00290824/step Wall: 1931.87, 0.00290824/step, 3.4999 hours remaining, 205.363281 MB of memory in use. ENERGY: 667600 748.8221 2100.7411 1957.9370 103.2052 -205954.3318 17793.0393 0.0000 0.0000 34239.6698 -149010.9173 299.0236 -183250.5871 -148911.5616 299.5539 -87.7689 -55.2204 558950.7591 -7.1297 -7.1693 PRESSURE: 667800 30.6534 -5.41771 29.3897 -5.41948 -174.755 41.8636 29.389 41.8639 123.995 GPRESSURE: 667800 65.1559 -52.801 55.0811 -33.0531 -176.043 44.1107 0.212516 13.5365 182.749 PRESSAVG: 667800 1.08941 4.55458 23.6895 4.55461 65.9958 56.7289 23.6896 56.729 -51.5838 GPRESSAVG: 667800 1.06607 4.97051 22.5153 3.30209 66.5816 57.9747 23.4585 54.2314 -52.9026 TIMING: 667800 CPU: 1932.46, 0.00292983/step Wall: 1932.46, 0.00292983/step, 3.52573 hours remaining, 205.363281 MB of memory in use. ENERGY: 667800 790.6452 2153.3877 1986.4276 108.5727 -206437.6974 17973.1514 0.0000 0.0000 34372.6403 -149052.8725 300.1848 -183425.5128 -148953.4776 299.5009 -6.7020 23.9541 557291.7344 5.1671 4.9150 PRESSURE: 668000 -146.321 63.1913 -21.094 63.192 144.922 -75.7799 -21.0949 -75.7804 -103.349 GPRESSURE: 668000 -75.5382 64.5589 -95.1446 60.2435 151.293 -63.2687 26.1481 10.776 -91.1017 PRESSAVG: 668000 -4.03144 47.4345 7.24434 47.4344 64.2124 -1.00899 7.24441 -1.00896 -59.67 GPRESSAVG: 668000 -4.89191 47.5865 7.62529 46.1576 64.0421 0.320254 7.11724 -1.02467 -59.084 TIMING: 668000 CPU: 1933.04, 0.00293723/step Wall: 1933.04, 0.00293723/step, 3.53447 hours remaining, 205.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 668000 779.5151 2106.7791 1982.8285 115.4903 -205861.3800 17674.5195 0.0000 0.0000 34073.0492 -149129.1983 297.5684 -183202.2475 -149029.0744 299.5853 -34.9162 -5.1157 558736.9785 0.1703 0.0221 PRESSURE: 668200 -110.044 -105.932 94.5902 -105.932 -230.652 169.2 94.5893 169.2 -68.511 GPRESSURE: 668200 -24.9012 -97.971 66.9128 -132.961 -188.128 187.934 153.011 166.876 -110.796 PRESSAVG: 668200 -20.2213 11.1167 10.3198 11.1168 21.9813 38.2969 10.3198 38.2969 -42.1611 GPRESSAVG: 668200 -20.0154 10.1155 9.65532 12.5181 20.6024 37.0919 11.8837 39.2184 -41.314 TIMING: 668200 CPU: 1933.63, 0.00291876/step Wall: 1933.63, 0.00291876/step, 3.51208 hours remaining, 205.363281 MB of memory in use. ENERGY: 668200 752.9135 2117.3266 1962.7023 107.9809 -205682.7450 17494.0820 0.0000 0.0000 34200.9760 -149046.7637 298.6856 -183247.7397 -148947.7733 299.6715 -136.4020 -107.9420 559023.3476 -13.4670 -13.5757 LDB: ============= START OF LOAD BALANCING ============== 1937.02 LDB: ============== END OF LOAD BALANCING =============== 1937.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1937.02 LDB: ============= START OF LOAD BALANCING ============== 1937.31 LDB: Largest compute 4820 load 0.027924 is 23.7% of average load 0.117976 LDB: Average compute 0.001723 is 1.5% of average load 0.117976 LDB: TIME 1937.31 LOAD: AVG 0.117976 MAX 0.185876 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.363 MB LDB: TIME 1937.31 LOAD: AVG 0.117976 MAX 0.185876 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.367 MB LDB: TIME 1937.31 LOAD: AVG 0.117976 MAX 0.185876 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.367 MB LDB: ============== END OF LOAD BALANCING =============== 1937.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1937.31 PRESSURE: 668400 -187.956 -17.8961 -23.1635 -17.8967 -129.974 -67.8903 -23.1639 -67.89 -293.425 GPRESSURE: 668400 -159.637 -1.35383 -37.3063 52.8221 -126.531 -54.9616 -78.339 -19.1416 -227.473 PRESSAVG: 668400 -7.51758 8.87505 38.7172 8.87508 -8.91845 2.20015 38.7171 2.20025 -16.2261 GPRESSAVG: 668400 -6.74157 9.83092 39.154 9.92914 -8.45025 0.385398 38.1681 2.50752 -16.9399 TIMING: 668400 CPU: 1934.22, 0.00296086/step Wall: 1934.22, 0.00296086/step, 3.56257 hours remaining, 205.671875 MB of memory in use. ENERGY: 668400 722.3774 2096.7065 1961.7664 115.0789 -205837.3056 17519.3904 0.0000 0.0000 34418.6418 -149003.3442 300.5866 -183421.9860 -148907.7159 300.0760 -203.7848 -171.2137 558858.2474 -10.8874 -10.7106 PRESSURE: 668600 424.869 -62.3647 55.5266 -62.3652 343.071 -29.5436 55.5282 -29.5436 155.513 GPRESSURE: 668600 466.936 -87.7592 -46.1093 -44.2427 369.448 36.4136 113.833 -54.4019 190.822 PRESSAVG: 668600 30.1273 -7.23531 3.4096 -7.23533 39.2416 -2.45482 3.40961 -2.4548 -34.8158 GPRESSAVG: 668600 30.0308 -7.15739 3.86318 -7.44185 38.9308 -0.352859 3.85632 -3.26844 -34.628 TIMING: 668600 CPU: 1934.8, 0.00291512/step Wall: 1934.8, 0.00291512/step, 3.50737 hours remaining, 205.675781 MB of memory in use. ENERGY: 668600 732.2261 2140.6899 1933.9751 109.8203 -206617.6920 18333.1743 0.0000 0.0000 34362.8640 -149004.9423 300.0994 -183367.8063 -148910.4400 299.8211 307.8178 342.4020 557333.3302 11.5177 11.4446 PRESSURE: 668800 -98.6667 70.4772 -123.649 70.4761 -53.9369 -25.156 -123.65 -25.1541 119.33 GPRESSURE: 668800 -54.9458 23.8905 -53.3343 110.466 -29.6307 25.4042 -125.566 -5.95463 141.865 PRESSAVG: 668800 16.9683 36.332 51.0123 36.332 -13.232 76.9174 51.0122 76.9174 -51.0461 GPRESSAVG: 668800 16.9868 36.3039 52.6631 36.1285 -12.9006 78.595 49.378 75.8167 -51.4056 TIMING: 668800 CPU: 1935.38, 0.00290058/step Wall: 1935.38, 0.00290058/step, 3.48972 hours remaining, 205.675781 MB of memory in use. ENERGY: 668800 750.3047 2160.7103 1957.7738 120.5715 -206096.7261 17569.5991 0.0000 0.0000 34476.9457 -149060.8209 301.0957 -183537.7667 -148955.9939 300.1899 -11.0911 19.0963 555722.6116 -15.7699 -15.7731 PRESSURE: 669000 165.641 35.2418 85.1165 35.241 -190.338 -76.6569 85.1182 -76.6571 348.867 GPRESSURE: 669000 152.474 39.3934 79.9559 15.6493 -120.9 -80.6409 13.2776 -18.4598 399.541 PRESSAVG: 669000 -48.1448 76.137 3.67492 76.137 12.5908 57.9121 3.6749 57.912 45.1643 GPRESSAVG: 669000 -48.3069 74.5973 3.51155 76.7924 12.2958 57.3893 4.18341 58.8103 45.5457 TIMING: 669000 CPU: 1935.97, 0.00293431/step Wall: 1935.97, 0.00293431/step, 3.53014 hours remaining, 205.675781 MB of memory in use. ENERGY: 669000 740.6644 2082.0407 1944.9672 102.4720 -206340.4765 17849.1569 0.0000 0.0000 34678.5024 -148942.6729 302.8560 -183621.1752 -148849.2657 300.0629 108.0568 143.7054 556673.1005 3.2034 3.1782 PRESSURE: 669200 225.503 -77.266 -73.6709 -77.2666 86.1859 -74.7817 -73.6712 -74.781 -367.008 GPRESSURE: 669200 236.639 -6.63423 -96.4097 -124.283 110.259 -78.1756 -73.2372 -5.55047 -301.621 PRESSAVG: 669200 50.2536 46.1966 1.47577 46.1965 -3.73665 6.65402 1.47567 6.65401 -46.9609 GPRESSAVG: 669200 49.2745 47.7983 1.11062 44.8627 -3.3055 6.30275 1.48219 7.182 -46.9002 TIMING: 669200 CPU: 1936.55, 0.00291679/step Wall: 1936.55, 0.00291679/step, 3.5089 hours remaining, 205.675781 MB of memory in use. ENERGY: 669200 728.5880 2128.2960 1954.7193 111.8993 -205921.3603 17636.5599 0.0000 0.0000 34394.0992 -148967.1985 300.3722 -183361.2978 -148872.6913 299.8063 -18.4400 15.0922 555943.3017 -0.1480 -0.3104 PRESSURE: 669400 -87.2139 126.254 13.9758 126.254 167.584 64.6102 13.9759 64.6106 -355.165 GPRESSURE: 669400 -50.1925 104.347 -23.9344 75.7749 147.834 -20.538 32.1771 47.9777 -277.965 PRESSAVG: 669400 -20.4978 26.7662 -43.3238 26.7662 32.1156 -27.2868 -43.3238 -27.2867 -31.4338 GPRESSAVG: 669400 -19.5641 27.0333 -44.1171 25.2903 31.062 -29.5492 -41.4653 -27.0567 -30.8085 TIMING: 669400 CPU: 1937.13, 0.00287567/step Wall: 1937.13, 0.00287567/step, 3.45927 hours remaining, 205.675781 MB of memory in use. ENERGY: 669400 746.0401 2137.4697 1976.6062 120.6145 -205891.7596 17423.6392 0.0000 0.0000 34434.2762 -149053.1135 300.7231 -183487.3898 -148956.3852 300.1519 -91.5983 -60.1080 555386.3714 -6.6054 -6.4369 PRESSURE: 669600 34.872 108.634 -9.0035 108.633 69.8436 84.071 -9.00367 84.0709 251.441 GPRESSURE: 669600 37.163 86.7784 75.4667 134.879 174.156 85.8135 -141.289 82.957 248.878 PRESSAVG: 669600 3.06997 -1.05164 -22.7396 -1.05161 17.01 -19.3365 -22.7396 -19.3365 -62.9045 GPRESSAVG: 669600 3.72 -0.717768 -20.8979 -0.758257 18.7078 -17.4128 -24.2518 -20.4923 -64.63 TIMING: 669600 CPU: 1937.71, 0.00289261/step Wall: 1937.71, 0.00289261/step, 3.47949 hours remaining, 205.675781 MB of memory in use. ENERGY: 669600 736.4457 2136.4546 1944.0396 104.8760 -206384.1475 18007.7802 0.0000 0.0000 34384.6135 -149069.9380 300.2894 -183454.5514 -148967.5570 299.7086 118.7188 153.3988 556979.0696 -14.2749 -14.0674 PRESSURE: 669800 -194.503 -29.2387 -90.9685 -29.2376 -276.14 105.733 -90.9686 105.733 -111.241 GPRESSURE: 669800 -142.464 -8.62701 -64.4283 4.29777 -273.427 -35.5397 13.2941 204.513 -80.4941 PRESSAVG: 669800 1.8395 26.7802 97.812 26.7802 21.3041 10.1663 97.812 10.1663 14.5386 GPRESSAVG: 669800 1.80605 26.0552 98.6164 27.1322 20.5771 9.56424 97.057 9.92304 14.9175 TIMING: 669800 CPU: 1938.29, 0.00289538/step Wall: 1938.29, 0.00289538/step, 3.48266 hours remaining, 205.675781 MB of memory in use. ENERGY: 669800 760.8105 2110.7835 1960.5587 133.8450 -205904.4528 17564.3863 0.0000 0.0000 34228.8347 -149145.2341 298.9289 -183374.0688 -149043.2532 300.2482 -193.9613 -165.4619 557519.0923 12.5607 12.4335 PRESSURE: 670000 -229.134 -78.7532 74.3206 -78.7534 93.2239 23.7401 74.3199 23.7401 -113.849 GPRESSURE: 670000 -160.928 -50.3556 147.364 -86.3579 165.816 -4.90821 -6.13567 36.5178 -148.042 PRESSAVG: 670000 -0.776626 15.1911 46.6773 15.191 27.2312 18.8221 46.6773 18.822 -28.6092 GPRESSAVG: 670000 -1.55977 17.6002 47.8251 14.2698 27.975 19.0688 44.2748 20.8342 -28.2573 TIMING: 670000 CPU: 1938.86, 0.00288932/step Wall: 1938.86, 0.00288932/step, 3.47521 hours remaining, 205.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 670000 732.6062 2096.7958 1949.7095 111.3378 -205992.4545 17582.6732 0.0000 0.0000 34257.0520 -149262.2800 299.1754 -183519.3320 -149172.8914 299.5360 -83.2527 -47.7181 557237.2460 -0.7182 -0.6140 PRESSURE: 670200 62.8448 85.1882 -144.651 85.1896 272.79 -53.468 -144.652 -53.4684 133.089 GPRESSURE: 670200 105.158 85.993 -170.727 108.766 279.5 -3.04167 -111.263 -30.5414 170.702 PRESSAVG: 670200 -12.7687 42.0711 23.8363 42.071 18.2612 -44.6664 23.8364 -44.6665 -35.9833 GPRESSAVG: 670200 -13.1231 38.6077 19.9569 44.3262 18.8533 -45.0115 25.2395 -46.2966 -36.4604 TIMING: 670200 CPU: 1939.44, 0.00288128/step Wall: 1939.44, 0.00288128/step, 3.46538 hours remaining, 205.675781 MB of memory in use. ENERGY: 670200 736.5507 2082.4044 1956.1266 110.7261 -206656.3377 18125.1963 0.0000 0.0000 34252.1613 -149393.1723 299.1326 -183645.3336 -149291.0503 299.0261 156.2414 185.1200 557563.9367 -10.1636 -10.2434 PRESSURE: 670400 -57.9033 56.0841 -32.0924 56.083 -8.57253 -19.2255 -32.0916 -19.224 -0.887151 GPRESSURE: 670400 -3.65908 100.515 12.2168 -59.4802 -2.62572 39.842 -70.1504 -60.3393 24.9405 PRESSAVG: 670400 -84.9755 31.9372 7.35706 31.9372 53.7805 -1.03877 7.35702 -1.03883 27.9516 GPRESSAVG: 670400 -83.0989 34.226 7.26072 30.1104 51.7662 -2.00998 9.53713 0.525468 28.7616 TIMING: 670400 CPU: 1940.01, 0.00286972/step Wall: 1940.01, 0.00286972/step, 3.45132 hours remaining, 205.675781 MB of memory in use. ENERGY: 670400 733.3835 2133.2055 1961.2085 117.6654 -206278.2578 17859.6407 0.0000 0.0000 34030.1262 -149443.0279 297.1936 -183473.1541 -149351.5032 298.2429 -22.4543 6.2186 558780.6464 -1.0812 -0.8570 PRESSURE: 670600 -47.457 -179.459 0.289259 -179.459 -120.562 89.9614 0.288138 89.9613 -263.53 GPRESSURE: 670600 42.0768 -182.569 19.1272 -175.356 -101.714 117.761 -67.2404 95.0196 -261.402 PRESSAVG: 670600 46.087 -7.49308 5.38397 -7.49309 31.5624 -17.638 5.38396 -17.638 -47.4492 GPRESSAVG: 670600 45.0201 -8.70869 5.64988 -5.95725 32.2963 -16.9907 4.35321 -19.1462 -47.2396 TIMING: 670600 CPU: 1940.6, 0.00291594/step Wall: 1940.6, 0.00291594/step, 3.50674 hours remaining, 205.675781 MB of memory in use. ENERGY: 670600 773.5063 2095.3926 1953.1902 101.3502 -206046.3391 17525.7438 0.0000 0.0000 34163.6256 -149433.5303 298.3594 -183597.1560 -149342.7517 297.9096 -143.8497 -107.0134 557420.9454 10.0667 10.0256 PRESSURE: 670800 -86.2418 93.1476 214.962 93.1462 -168.427 45.2773 214.963 45.2769 -125.451 GPRESSURE: 670800 -62.829 46.7757 176.939 127.034 -148.491 -8.98497 243.269 31.4446 -84.3918 PRESSAVG: 670800 36.5741 54.0246 8.79053 54.0246 -54.4322 46.6902 8.79064 46.6901 1.75436 GPRESSAVG: 670800 35.5774 53.2625 10.7223 52.4974 -53.8379 47.8997 8.61053 45.4639 2.07022 TIMING: 670800 CPU: 1941.18, 0.00290864/step Wall: 1941.18, 0.00290864/step, 3.49781 hours remaining, 205.675781 MB of memory in use. ENERGY: 670800 750.7187 2094.6940 1953.2561 115.7967 -206163.8825 17470.6522 0.0000 0.0000 34308.4652 -149470.2997 299.6244 -183778.7648 -149375.3133 298.8754 -126.7064 -98.5707 554472.9152 -5.3679 -5.3968 PRESSURE: 671000 -103.061 35.1815 -42.4395 35.1808 106.554 -58.2333 -42.4398 -58.232 -84.5772 GPRESSURE: 671000 -46.7484 19.443 10.4681 46.206 145.226 -8.22147 -72.9682 -104.262 -61.9943 PRESSAVG: 671000 21.2585 -18.5826 37.988 -18.5826 -53.2745 42.5335 37.988 42.5334 1.75766 GPRESSAVG: 671000 22.0585 -17.1548 35.4123 -19.5452 -53.312 40.6165 39.7945 45.0119 0.731563 TIMING: 671000 CPU: 1941.76, 0.00290437/step Wall: 1941.76, 0.00290437/step, 3.4925 hours remaining, 205.675781 MB of memory in use. ENERGY: 671000 746.9253 2083.0217 1942.7687 117.4549 -206370.3964 17881.7938 0.0000 0.0000 34088.2754 -149510.1566 297.7014 -183598.4319 -149406.5835 298.7530 -27.0280 12.1611 557304.3536 -10.0861 -10.1740 PRESSURE: 671200 -168.604 -101.727 -77.3532 -101.727 -75.6691 -88.1238 -77.3525 -88.1238 -227.633 GPRESSURE: 671200 -127.759 -204.169 -72.718 -109.488 -43.2657 -62.5739 -119.92 -70.0325 -207.592 PRESSAVG: 671200 -46.2451 -28.5451 15.1465 -28.5451 -0.746188 15.5577 15.1466 15.5577 55.244 GPRESSAVG: 671200 -46.2611 -30.1158 17.113 -27.2164 -1.09622 17.8733 13.5802 14.741 56.2391 TIMING: 671200 CPU: 1942.34, 0.00289724/step Wall: 1942.34, 0.00289724/step, 3.48377 hours remaining, 205.675781 MB of memory in use. ENERGY: 671200 720.7854 2090.6717 1955.2335 112.7293 -205879.9504 17508.7022 0.0000 0.0000 34103.7025 -149388.1258 297.8361 -183491.8283 -149286.1240 298.7259 -157.3018 -126.2058 558291.3792 2.7509 2.9606 PRESSURE: 671400 -70.555 48.4864 45.1717 48.4881 -192.584 -3.29283 45.1719 -3.29325 -22.714 GPRESSURE: 671400 -120.153 93.5104 96.6177 78.7614 -132.305 -65.7294 47.4706 -5.17651 64.2495 PRESSAVG: 671400 45.3761 -5.17432 8.44276 -5.17433 26.9497 41.686 8.44274 41.686 -67.6628 GPRESSAVG: 671400 45.2218 -3.85633 8.38701 -6.29232 27.5679 41.2638 8.50154 42.1166 -68.3043 TIMING: 671400 CPU: 1942.92, 0.00291461/step Wall: 1942.92, 0.00291461/step, 3.5045 hours remaining, 205.675781 MB of memory in use. ENERGY: 671400 723.0794 2110.0830 1949.6029 92.1699 -206095.3384 17592.4167 0.0000 0.0000 34165.6516 -149462.3349 298.3771 -183627.9865 -149368.8192 299.3334 -95.2845 -62.7362 557942.4405 1.5543 1.4952 PRESSURE: 671600 -139.415 -72.565 171.937 -72.5661 -115.254 -102.18 171.938 -102.179 -31.7896 GPRESSURE: 671600 -89.4305 -18.6013 206.435 -66.0664 -42.1435 -27.9105 122.093 -127.712 -58.9226 PRESSAVG: 671600 54.0292 1.97554 4.27861 1.97548 -35.4156 1.13124 4.27855 1.13121 -22.4864 GPRESSAVG: 671600 54.7613 1.06418 3.86119 3.60955 -36.2547 1.0639 3.2603 0.80738 -22.3547 TIMING: 671600 CPU: 1943.5, 0.00288174/step Wall: 1943.5, 0.00288174/step, 3.46482 hours remaining, 205.675781 MB of memory in use. ENERGY: 671600 777.6751 2153.3768 1933.9696 111.6911 -205953.2674 17496.4081 0.0000 0.0000 34294.0401 -149186.1066 299.4984 -183480.1468 -149094.3366 298.7574 -95.4864 -63.4989 556375.5965 -1.2909 -1.2827 PRESSURE: 671800 104.128 -17.7582 -78.0434 -17.7575 -33.6707 96.6254 -78.0419 96.6254 -87.5518 GPRESSURE: 671800 125.218 -36.7525 -110.77 24.6397 -37.9761 8.77936 -102.405 43.1236 -7.29144 PRESSAVG: 671800 41.1398 -8.24976 -6.50862 -8.24974 -26.7311 45.8152 -6.50861 45.8151 0.0219647 GPRESSAVG: 671800 40.7927 -7.02845 -4.87535 -8.4727 -25.576 43.8252 -5.88747 45.4757 -0.285808 TIMING: 671800 CPU: 1944.08, 0.00291099/step Wall: 1944.08, 0.00291099/step, 3.49982 hours remaining, 205.675781 MB of memory in use. ENERGY: 671800 749.3848 2113.0883 1961.7257 127.0290 -206245.4027 17782.0895 0.0000 0.0000 34242.5019 -149269.5835 299.0483 -183512.0854 -149177.0558 299.1387 -5.6980 26.6503 555294.8308 4.8102 4.9770 PRESSURE: 672000 -59.8154 52.5408 17.032 52.5417 144.79 -126.687 17.0323 -126.687 -8.04456 GPRESSURE: 672000 -14.9973 64.9167 -19.6624 -36.1385 183.631 -196.509 5.14328 -137.71 -3.47375 PRESSAVG: 672000 47.6495 -1.85818 -18.6629 -1.85826 11.6905 -23.1162 -18.6629 -23.1161 3.13637 GPRESSAVG: 672000 46.8829 -3.91788 -19.9829 -1.98936 11.7781 -20.5504 -17.1612 -25.6592 3.33643 TIMING: 672000 CPU: 1944.66, 0.00289866/step Wall: 1944.66, 0.00289865/step, 3.48483 hours remaining, 205.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 672000 749.1267 2030.3387 1957.0412 113.9510 -206037.6072 17789.2169 0.0000 0.0000 34089.3582 -149308.5745 297.7108 -183397.9327 -149209.1273 298.9722 25.6432 55.0534 556561.1385 20.8254 20.6658 PRESSURE: 672200 -95.186 -63.7569 35.4825 -63.7572 53.5808 -15.7282 35.483 -15.729 -127.597 GPRESSURE: 672200 -81.0942 -52.8647 62.4278 -7.41522 101.562 -7.73028 -37.7437 -30.4101 -92.7109 PRESSAVG: 672200 81.6121 -26.6292 -21.2364 -26.6291 -1.93784 -27.4765 -21.2364 -27.4765 -52.1518 GPRESSAVG: 672200 82.6006 -27.1533 -19.2211 -25.2417 -3.38803 -27.9258 -21.7285 -23.7038 -51.7711 TIMING: 672200 CPU: 1945.24, 0.00290483/step Wall: 1945.24, 0.00290483/step, 3.49209 hours remaining, 205.675781 MB of memory in use. ENERGY: 672200 733.7672 1993.7512 1972.9371 108.0556 -206369.7126 17811.8493 0.0000 0.0000 34252.1415 -149497.2107 299.1325 -183749.3522 -149401.9960 298.5366 -56.4008 -24.0811 557827.8476 9.1741 9.1471 LDB: ============= START OF LOAD BALANCING ============== 1948.62 LDB: ============== END OF LOAD BALANCING =============== 1948.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1948.63 LDB: ============= START OF LOAD BALANCING ============== 1948.92 LDB: Largest compute 4820 load 0.025805 is 21.9% of average load 0.117920 LDB: Average compute 0.001719 is 1.5% of average load 0.117920 LDB: TIME 1948.92 LOAD: AVG 0.11792 MAX 0.184084 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.988 MB LDB: TIME 1948.92 LOAD: AVG 0.11792 MAX 0.184084 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: TIME 1948.92 LOAD: AVG 0.11792 MAX 0.184084 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1948.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1948.93 PRESSURE: 672400 -6.15703 -23.2502 93.7196 -23.2519 -83.1639 48.9661 93.7207 48.9662 -301.324 GPRESSURE: 672400 58.1308 -23.9494 140.123 -45.0903 -82.3768 61.338 105.694 122.491 -273.099 PRESSAVG: 672400 29.6436 -38.8801 20.7493 -38.88 28.9332 -4.70192 20.7494 -4.70192 -57.293 GPRESSAVG: 672400 29.3445 -36.758 18.6471 -41.5935 29.1097 -5.88629 19.4902 -6.19613 -57.5378 TIMING: 672400 CPU: 1945.83, 0.0029431/step Wall: 1945.83, 0.0029431/step, 3.53793 hours remaining, 207.082031 MB of memory in use. ENERGY: 672400 730.4821 2037.2403 1943.2804 126.5185 -205961.5545 17495.4341 0.0000 0.0000 34144.1405 -149484.4586 298.1893 -183628.5991 -149384.2602 297.6090 -130.2149 -99.1150 557592.9382 0.4279 0.3055 PRESSURE: 672600 -206.376 -131.038 -249.385 -131.038 -279.8 101.641 -249.385 101.64 -42.0309 GPRESSURE: 672600 -119.171 -116.44 -189.745 -105.618 -305.987 56.0527 -277.909 39.7242 4.56585 PRESSAVG: 672600 4.9377 -20.9562 -29.8304 -20.9562 29.0991 -5.12598 -29.8303 -5.126 -37.1019 GPRESSAVG: 672600 5.54464 -21.1166 -28.7811 -19.2802 29.099 -3.01573 -27.6725 -6.31722 -36.8273 TIMING: 672600 CPU: 1946.41, 0.002889/step Wall: 1946.41, 0.002889/step, 3.47274 hours remaining, 207.152344 MB of memory in use. ENERGY: 672600 750.3259 2139.0518 1946.8352 115.4136 -205877.5531 17538.3058 0.0000 0.0000 34008.7322 -149378.8885 297.0067 -183387.6207 -149283.9971 298.4759 -176.0689 -140.1973 558219.0636 -1.0217 -0.7279 PRESSURE: 672800 12.8171 37.4293 112.746 37.4297 -162.606 -86.3385 112.745 -86.3373 -90.6139 GPRESSURE: 672800 -2.51414 -11.8223 100.939 83.2043 -123.094 -75.191 226.84 -146.011 -15.4079 PRESSAVG: 672800 58.0777 -61.5211 10.0569 -61.5212 -122.083 -3.34889 10.0569 -3.34888 53.4511 GPRESSAVG: 672800 57.2859 -61.0223 10.19 -62.6104 -121.624 -5.97732 8.09262 -0.630861 53.5349 TIMING: 672800 CPU: 1946.99, 0.00289937/step Wall: 1946.99, 0.00289937/step, 3.48504 hours remaining, 207.152344 MB of memory in use. ENERGY: 672800 771.4948 2093.7327 1961.0648 105.2099 -206112.5276 17681.0123 0.0000 0.0000 34106.3719 -149393.6412 297.8594 -183500.0131 -149307.1351 298.8640 -80.1344 -47.0052 557754.6436 -3.5180 -3.6012 PRESSURE: 673000 77.5945 -84.9364 -127.6 -84.9345 -91.277 119.368 -127.601 119.371 208.568 GPRESSURE: 673000 81.2875 -123.811 -150.096 -86.674 -74.707 108.215 -54.2891 102.902 288.623 PRESSAVG: 673000 2.06578 -30.1129 -32.6242 -30.1128 0.293956 0.787254 -32.6242 0.787206 35.3318 GPRESSAVG: 673000 2.28075 -31.3626 -33.7498 -29.0221 -0.40748 2.31807 -29.9492 -1.77327 36.3844 TIMING: 673000 CPU: 1947.57, 0.00289639/step Wall: 1947.57, 0.00289639/step, 3.4813 hours remaining, 207.152344 MB of memory in use. ENERGY: 673000 748.0202 2061.2135 1968.6044 110.9338 -206310.0580 17818.8579 0.0000 0.0000 34229.8068 -149372.6213 298.9374 -183602.4281 -149276.4940 298.7108 64.9617 98.4011 557501.2347 12.5639 12.7525 PRESSURE: 673200 207.56 57.7195 -45.9312 57.7206 -3.62448 -88.0605 -45.9308 -88.0612 -26.8846 GPRESSURE: 673200 224.038 72.9843 -28.9052 -23.4893 51.5253 -19.0402 -11.6177 -65.3071 -1.92044 PRESSAVG: 673200 21.337 -40.9763 -21.5777 -40.9762 -7.3669 39.7748 -21.5777 39.7749 -38.3299 GPRESSAVG: 673200 20.7774 -41.9065 -20.298 -40.4122 -6.39948 37.8914 -23.3893 43.7755 -38.6151 TIMING: 673200 CPU: 1948.15, 0.002914/step Wall: 1948.15, 0.002914/step, 3.50231 hours remaining, 207.152344 MB of memory in use. ENERGY: 673200 755.4355 2032.2588 1958.6189 120.0716 -206137.6087 17887.4164 0.0000 0.0000 33844.6839 -149539.1235 295.5740 -183383.8075 -149441.8290 298.1461 59.0168 91.2142 557349.9431 -8.1199 -8.0791 PRESSURE: 673400 46.8787 -175.226 -113.85 -175.226 -128.16 105.362 -113.851 105.363 281.745 GPRESSURE: 673400 73.1964 -125.794 -63.9823 -185.554 -79.1013 68.2158 -117.743 138.815 310.397 PRESSAVG: 673400 -42.7478 -13.9247 -2.03847 -13.9248 48.9688 17.4559 -2.03849 17.4559 -17.1028 GPRESSAVG: 673400 -41.2019 -13.4848 -1.77693 -15.3173 48.3456 18.5634 -2.36951 16.2629 -18.579 TIMING: 673400 CPU: 1948.73, 0.00289456/step Wall: 1948.73, 0.00289456/step, 3.47878 hours remaining, 207.152344 MB of memory in use. ENERGY: 673400 741.2098 2059.5304 1948.7613 121.2025 -206502.4101 18014.1138 0.0000 0.0000 34053.1749 -149564.4175 297.3948 -183617.5923 -149469.0784 298.3901 66.8214 101.4972 556398.2852 -3.6273 -3.8118 PRESSURE: 673600 -159.073 82.4203 -5.95225 82.4197 -25.7895 1.7789 -5.95339 1.78069 90.4811 GPRESSURE: 673600 -98.2815 150.142 56.7137 61.6554 -38.3336 24.4034 -25.8508 111.309 128.154 PRESSAVG: 673600 51.9675 -27.0536 24.8984 -27.0536 -24.603 21.6686 24.8985 21.6686 -9.26722 GPRESSAVG: 673600 51.4547 -27.0042 24.0935 -26.1985 -25.2831 23.0004 26.1513 20.8708 -8.1987 TIMING: 673600 CPU: 1949.31, 0.00289187/step Wall: 1949.31, 0.00289187/step, 3.47538 hours remaining, 207.152344 MB of memory in use. ENERGY: 673600 738.6438 2032.2394 1931.9016 134.2280 -206592.6409 17951.4097 0.0000 0.0000 34390.6268 -149413.5916 300.3419 -183804.2184 -149327.3008 299.0603 -31.4604 -2.8205 556590.3144 6.0324 5.9910 PRESSURE: 673800 -183.924 37.7044 -3.04139 37.7047 38.8378 -11.2024 -3.04121 -11.2031 178.551 GPRESSURE: 673800 -95.5886 0.899869 -67.03 74.0552 56.4288 -83.5504 -51.462 -22.9114 179.806 PRESSAVG: 673800 5.10969 -3.66702 71.3215 -3.66701 -17.235 -32.1493 71.3215 -32.1493 -27.4905 GPRESSAVG: 673800 4.72237 -1.7863 71.1601 -3.69338 -16.9341 -36.2034 71.3375 -30.9975 -27.6101 TIMING: 673800 CPU: 1949.88, 0.00288243/step Wall: 1949.88, 0.00288243/step, 3.46388 hours remaining, 207.152344 MB of memory in use. ENERGY: 673800 757.6729 2057.9156 1956.8888 122.6532 -206461.4135 17912.3547 0.0000 0.0000 34185.1431 -149468.7852 298.5474 -183653.9283 -149380.1169 299.0834 11.1551 46.8820 555848.3171 -13.2053 -13.2740 PRESSURE: 674000 7.21199 65.8944 -254.031 65.8944 -6.02257 103.454 -254.03 103.453 -97.7344 GPRESSURE: 674000 40.3752 19.14 -285.211 214.072 -8.33076 142.671 -191.873 50.5617 -13.4256 PRESSAVG: 674000 -11.5355 24.4337 35.061 24.4338 42.4093 26.9571 35.061 26.957 38.7482 GPRESSAVG: 674000 -12.1395 22.3932 36.2871 24.3098 42.8389 28.977 36.7549 25.256 38.8968 TIMING: 674000 CPU: 1950.46, 0.0028801/step Wall: 1950.46, 0.0028801/step, 3.46092 hours remaining, 207.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 674000 768.5111 2057.2630 1928.3415 115.5767 -206324.8631 17776.6812 0.0000 0.0000 34360.1123 -149318.3772 300.0754 -183678.4895 -149225.4685 299.7862 -32.1816 6.2063 557230.0375 23.2073 23.1987 PRESSURE: 674200 14.5012 -180.07 -147.887 -180.069 -9.46362 7.00195 -147.888 7.00006 190.318 GPRESSURE: 674200 27.8746 -178.299 -184.588 -125.088 32.9261 101.11 -29.9009 66.9008 231.488 PRESSAVG: 674200 -26.8489 -22.2096 15.8692 -22.2096 8.7051 38.3468 15.8692 38.3469 -25.3821 GPRESSAVG: 674200 -25.794 -21.8696 14.1272 -20.9003 8.51825 38.7795 15.5553 39.8228 -26.5276 TIMING: 674200 CPU: 1951.04, 0.00291096/step Wall: 1951.04, 0.00291096/step, 3.49784 hours remaining, 207.152344 MB of memory in use. ENERGY: 674200 733.2535 2038.7221 1940.6400 111.1921 -206362.9581 17885.6344 0.0000 0.0000 34485.7546 -149167.7613 301.1727 -183653.5159 -149077.5682 299.3775 65.1187 97.4296 556083.5280 -14.5087 -14.6011 PRESSURE: 674400 6.01458 73.827 15.0022 73.8273 -11.7981 -36.3665 15.0022 -36.3668 -166.801 GPRESSURE: 674400 -1.49091 70.6076 90.5089 84.7966 22.196 -101.153 -56.4504 -30.6948 -106.354 PRESSAVG: 674400 67.0148 -2.6191 20.3029 -2.6192 -60.3639 10.4607 20.303 10.4608 -8.18247 GPRESSAVG: 674400 67.075 -2.5355 21.3363 -2.73929 -61.193 9.61737 18.7784 10.8211 -7.08726 TIMING: 674400 CPU: 1951.62, 0.00290306/step Wall: 1951.62, 0.00290306/step, 3.48818 hours remaining, 207.152344 MB of memory in use. ENERGY: 674400 715.8485 2099.0527 1956.7896 120.4530 -206282.9730 17724.4817 0.0000 0.0000 34359.8257 -149306.5218 300.0729 -183666.3476 -149208.4926 299.5657 -57.5282 -28.5496 555493.0745 -0.5105 -0.4017 PRESSURE: 674600 134.73 -159.716 189.943 -159.715 -25.1876 -140.136 189.943 -140.134 -24.1425 GPRESSURE: 674600 177.551 -156.133 251.376 -166.625 -19.2545 -146.577 128.114 -98.0204 28.223 PRESSAVG: 674600 37.3485 1.14068 0.26028 1.14079 13.1113 -81.0027 0.260318 -81.0027 -43.8559 GPRESSAVG: 674600 36.0716 1.08686 2.17142 0.906174 13.962 -78.9219 -0.385774 -82.0814 -43.4447 TIMING: 674600 CPU: 1952.21, 0.00291781/step Wall: 1952.21, 0.00291781/step, 3.50575 hours remaining, 207.152344 MB of memory in use. ENERGY: 674600 718.2151 2096.4873 1949.1600 113.8514 -206174.9868 17873.8008 0.0000 0.0000 34162.1177 -149261.3545 298.3463 -183423.4722 -149167.6562 299.0143 28.4667 62.1732 556862.6692 2.2013 2.1963 PRESSURE: 674800 165.657 92.7333 -265.815 92.733 -94.4695 -18.1609 -265.815 -18.1606 20.6739 GPRESSURE: 674800 206.162 43.5814 -291.377 18.2465 -99.0993 -45.0633 -238.466 36.2583 84.9948 PRESSAVG: 674800 89.0717 0.738334 -14.3263 0.738356 -13.0209 15.6946 -14.3264 15.6945 -41.0111 GPRESSAVG: 674800 90.0686 -0.607368 -17.9664 -0.640737 -13.4904 12.114 -11.8106 17.2575 -40.916 TIMING: 674800 CPU: 1952.78, 0.00289473/step Wall: 1952.78, 0.00289473/step, 3.47786 hours remaining, 207.152344 MB of memory in use. ENERGY: 674800 706.3006 2059.9868 1922.4645 111.6062 -206109.8964 17782.9973 0.0000 0.0000 34386.8149 -149139.7261 300.3086 -183526.5411 -149045.2463 299.8910 30.6203 64.0191 556634.3302 11.6799 11.8874 PRESSURE: 675000 -92.2066 -38.9541 6.73409 -38.9544 -35.135 -93.2537 6.73566 -93.254 -105.487 GPRESSURE: 675000 -82.0477 -19.353 -70.1635 -36.2333 19.2226 -139.592 -1.3611 -0.479151 -63.7367 PRESSAVG: 675000 80.6777 -17.9319 10.3647 -17.9319 -18.5791 -25.7167 10.3648 -25.7167 -78.5678 GPRESSAVG: 675000 80.8592 -16.3974 12.7571 -18.6091 -18.6698 -22.9682 8.24634 -27.2734 -78.8522 TIMING: 675000 CPU: 1953.36, 0.00288752/step Wall: 1953.36, 0.00288752/step, 3.46903 hours remaining, 207.152344 MB of memory in use. ENERGY: 675000 757.8570 2113.9192 1945.8779 107.2682 -206075.0046 17728.4050 0.0000 0.0000 34224.8519 -149196.8254 298.8941 -183421.6773 -149102.8793 299.5542 -77.6094 -42.1873 557215.6674 -5.4898 -5.5543 PRESSURE: 675200 -62.3324 119.408 43.5703 119.409 -10.0252 -158.848 43.5712 -158.849 -159.304 GPRESSURE: 675200 1.45993 27.8422 8.86251 216.671 -3.49008 -138.92 -0.599542 -158.929 -126.154 PRESSAVG: 675200 23.9748 -34.3381 -6.01139 -34.3381 -36.0338 29.2521 -6.01138 29.252 28.9668 GPRESSAVG: 675200 23.3427 -35.7188 -5.56565 -32.4498 -35.6967 30.2682 -5.89436 26.9249 29.0768 TIMING: 675200 CPU: 1953.94, 0.00290692/step Wall: 1953.94, 0.00290692/step, 3.49218 hours remaining, 207.152344 MB of memory in use. ENERGY: 675200 682.2172 2111.2887 1934.4174 132.4829 -205766.2029 17434.7579 0.0000 0.0000 34409.2437 -149061.7950 300.5045 -183471.0387 -148962.3137 299.6757 -77.2205 -42.7281 557947.2019 5.6359 5.5743 PRESSURE: 675400 -303.475 63.6423 50.8492 63.6428 19.9198 -96.5297 50.8496 -96.5288 29.7144 GPRESSURE: 675400 -200.617 58.493 34.7844 83.1857 20.3457 -104.786 56.1518 -96.8451 16.6696 PRESSAVG: 675400 -7.24314 -51.7644 -7.74878 -51.7643 10.4013 -14.5128 -7.74865 -14.5128 -0.452151 GPRESSAVG: 675400 -7.2517 -53.2643 -8.27392 -51.2317 10.0913 -14.8964 -7.01885 -11.9099 -0.115774 TIMING: 675400 CPU: 1954.52, 0.00289161/step Wall: 1954.52, 0.00289161/step, 3.47362 hours remaining, 207.152344 MB of memory in use. ENERGY: 675400 741.9564 2116.6406 1947.7177 103.7827 -205995.9930 17752.6927 0.0000 0.0000 34035.8479 -149297.3550 297.2435 -183333.2029 -149198.5960 299.5814 -84.6134 -54.5340 558901.8700 0.9020 0.9079 PRESSURE: 675600 103.308 -156.999 -35.7664 -156.998 -273.119 -135.181 -35.7662 -135.182 -108.815 GPRESSURE: 675600 63.3674 -59.8282 -119.916 -181.425 -211.541 -95.7062 -11.4011 -214.228 -38.1587 PRESSAVG: 675600 -39.1225 0.272754 24.2321 0.27275 64.1602 -15.09 24.2321 -15.09 40.3887 GPRESSAVG: 675600 -39.6605 1.69389 25.119 -0.0582061 65.3518 -15.667 23.8458 -14.2932 40.3718 TIMING: 675600 CPU: 1955.1, 0.00287586/step Wall: 1955.1, 0.00287586/step, 3.45454 hours remaining, 207.152344 MB of memory in use. ENERGY: 675600 707.6640 2125.4535 1923.4167 117.2417 -206262.3553 17765.8903 0.0000 0.0000 34314.6035 -149308.0857 299.6780 -183622.6893 -149216.4566 298.4908 -92.8754 -62.1107 558024.6534 21.8088 22.0210 PRESSURE: 675800 -101.557 15.6922 -52.6047 15.6925 24.8269 -121.586 -52.6053 -121.585 -117.704 GPRESSURE: 675800 -63.7278 104.33 -67.0397 22.7204 35.4832 -50.262 -60.5031 -43.5014 -70.0403 PRESSAVG: 675800 62.9442 -4.32387 -49.5533 -4.32392 5.99001 3.52399 -49.5534 3.524 -55.2002 GPRESSAVG: 675800 63.3225 -4.95557 -49.6883 -5.46967 4.77518 5.20333 -49.4247 3.56965 -54.7011 TIMING: 675800 CPU: 1955.68, 0.00290356/step Wall: 1955.68, 0.00290356/step, 3.48766 hours remaining, 207.152344 MB of memory in use. ENERGY: 675800 772.5915 2123.8201 1932.3397 128.5711 -206186.7640 17899.2331 0.0000 0.0000 34134.8343 -149195.3742 298.1080 -183330.2085 -149097.2323 299.3856 -64.8116 -32.7616 558330.5634 4.5780 4.4655 PRESSURE: 676000 37.7062 65.9856 40.7782 65.9863 96.2801 -74.871 40.7784 -74.8711 39.5268 GPRESSURE: 676000 59.3113 -22.8657 -2.33679 96.9128 140.178 -29.8171 -45.8408 -145.697 67.7901 PRESSAVG: 676000 45.2141 -17.519 13.7976 -17.519 -54.5248 30.0538 13.7976 30.0538 -20.8523 GPRESSAVG: 676000 46.5159 -16.5881 14.6592 -19.433 -54.3319 29.3237 13.8546 27.1444 -22.0294 TIMING: 676000 CPU: 1956.26, 0.00292898/step Wall: 1956.26, 0.00292898/step, 3.51804 hours remaining, 207.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 676000 734.2210 2087.8800 1932.7466 108.8657 -206223.0779 17843.1333 0.0000 0.0000 34243.0624 -149273.1689 299.0532 -183516.2313 -149174.3165 299.7150 57.8377 89.0933 556677.2209 -10.0543 -9.9485 PRESSURE: 676200 -197.86 -46.5673 -143.609 -46.566 -218.907 -84.9994 -143.609 -84.9981 -35.317 GPRESSURE: 676200 -166.883 -34.7619 -84.013 -69.5984 -182.835 -104.951 -157.134 -119.793 -0.690559 PRESSAVG: 676200 15.9811 -51.0938 39.9436 -51.0937 -7.22672 -26.5939 39.9435 -26.5938 -3.34142 GPRESSAVG: 676200 14.0938 -49.1253 40.7495 -48.8173 -6.12912 -28.4981 39.9584 -24.0498 -2.60053 TIMING: 676200 CPU: 1956.85, 0.00291274/step Wall: 1956.85, 0.00291274/step, 3.49837 hours remaining, 207.152344 MB of memory in use. ENERGY: 676200 780.7279 2087.6714 1946.1274 117.8630 -206051.7224 17657.3714 0.0000 0.0000 34398.1895 -149063.7718 300.4079 -183461.9613 -148965.6546 300.0913 -150.6947 -116.8029 555722.7584 1.8043 1.7881 LDB: ============= START OF LOAD BALANCING ============== 1960.23 LDB: ============== END OF LOAD BALANCING =============== 1960.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1960.24 LDB: ============= START OF LOAD BALANCING ============== 1960.53 LDB: Largest compute 4820 load 0.026761 is 22.7% of average load 0.117925 LDB: Average compute 0.001722 is 1.5% of average load 0.117925 LDB: TIME 1960.53 LOAD: AVG 0.117925 MAX 0.185924 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 1960.53 LOAD: AVG 0.117925 MAX 0.185924 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.816 MB LDB: TIME 1960.53 LOAD: AVG 0.117925 MAX 0.185924 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.816 MB LDB: ============== END OF LOAD BALANCING =============== 1960.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1960.53 PRESSURE: 676400 -84.9993 56.9549 68.9631 56.9549 -205.589 116.132 68.9635 116.132 -233.837 GPRESSURE: 676400 -119.628 53.3267 31.5826 92.5848 -109.828 92.0406 101.874 103.206 -185.719 PRESSAVG: 676400 3.09175 -7.41285 -32.0195 -7.41284 -32.7009 -23.7977 -32.0196 -23.7976 -6.1382 GPRESSAVG: 676400 3.37629 -9.29666 -31.6617 -7.91255 -32.8155 -23.9447 -32.1284 -24.7324 -7.10665 TIMING: 676400 CPU: 1957.44, 0.00296849/step Wall: 1957.44, 0.00296849/step, 3.56516 hours remaining, 207.734375 MB of memory in use. ENERGY: 676400 778.9968 2062.3661 1953.9109 120.0746 -205494.9854 17315.8404 0.0000 0.0000 34402.1641 -148861.6326 300.4427 -183263.7966 -148754.9165 299.8233 -174.8083 -138.3917 556130.5398 -11.9158 -12.1819 PRESSURE: 676600 -99.2757 132.183 -144.262 132.184 -261.327 -280.819 -144.261 -280.819 -82.0529 GPRESSURE: 676600 -33.1786 207.817 -186.018 114.53 -261.05 -269.404 -111.492 -254.251 -53.1292 PRESSAVG: 676600 22.3599 4.24446 -19.3278 4.24444 -45.783 -52.147 -19.3277 -52.1471 20.6125 GPRESSAVG: 676600 21.9506 3.261 -22.4346 4.9935 -46.915 -50.4538 -17.9738 -52.5622 22.2954 TIMING: 676600 CPU: 1958.02, 0.00289544/step Wall: 1958.02, 0.00289544/step, 3.47726 hours remaining, 207.734375 MB of memory in use. ENERGY: 676600 714.5578 2062.0189 1956.7128 120.7270 -205516.9428 17354.1856 0.0000 0.0000 34331.0454 -148977.6954 299.8216 -183308.7408 -148870.9184 300.2620 -147.5520 -115.7858 557381.2688 -0.9369 -0.8897 PRESSURE: 676800 -48.7572 115.141 -20.8005 115.14 30.6042 31.1802 -20.8009 31.1805 -47.2019 GPRESSURE: 676800 17.6572 117.775 -81.7879 83.8771 6.3162 61.6957 -113.315 -11.3476 20.2275 PRESSAVG: 676800 -38.5572 61.055 35.0746 61.055 22.2398 -33.2001 35.0746 -33.2 17.7478 GPRESSAVG: 676800 -38.605 63.2481 36.8248 58.2232 23.3936 -33.6157 34.564 -32.5924 16.7627 TIMING: 676800 CPU: 1958.6, 0.00291059/step Wall: 1958.6, 0.00291058/step, 3.49529 hours remaining, 207.734375 MB of memory in use. ENERGY: 676800 786.1356 2055.8364 1955.5558 112.1057 -206133.4640 17763.4564 0.0000 0.0000 34351.9850 -149108.3890 300.0044 -183460.3740 -149021.9743 300.4124 -21.7850 14.7336 557810.7448 0.4768 0.5171 PRESSURE: 677000 175.749 -37.1545 25.8746 -37.1543 85.1896 45.7185 25.8735 45.7204 218.162 GPRESSURE: 677000 191.369 -4.64628 -3.88867 -32.4604 133.079 27.5983 -0.588355 2.62649 230.977 PRESSAVG: 677000 14.701 27.389 0.861161 27.389 -24.9491 38.4315 0.861155 38.4316 -24.2255 GPRESSAVG: 677000 15.7512 27.2888 0.622805 27.4223 -24.9695 38.5256 0.806274 35.7281 -25.2873 TIMING: 677000 CPU: 1959.18, 0.00290389/step Wall: 1959.18, 0.00290389/step, 3.48709 hours remaining, 207.734375 MB of memory in use. ENERGY: 677000 720.1103 2099.4980 1928.3269 107.8166 -206487.3196 18060.4013 0.0000 0.0000 34619.8917 -148951.2748 302.3441 -183571.1665 -148854.8059 300.6955 159.7002 185.1420 557029.1345 -11.4912 -11.5019 PRESSURE: 677200 83.8461 -10.8362 -50.4439 -10.8367 -74.1572 2.45612 -50.4442 2.45729 178.605 GPRESSURE: 677200 75.5644 12.4561 -47.2052 38.8255 -11.4519 8.1322 -176.6 47.2428 229.877 PRESSAVG: 677200 47.2679 19.0162 66.6391 19.0162 15.238 -14.091 66.6392 -14.0911 8.67981 GPRESSAVG: 677200 46.7693 18.262 68.0994 19.9993 14.8033 -14.3999 65.3307 -11.5174 9.33677 TIMING: 677200 CPU: 1959.76, 0.0029038/step Wall: 1959.76, 0.0029038/step, 3.48682 hours remaining, 207.734375 MB of memory in use. ENERGY: 677200 766.5854 2081.5877 1956.4831 113.0203 -206091.6018 17795.9895 0.0000 0.0000 34382.0679 -148995.8678 300.2671 -183377.9357 -148897.5917 300.4610 62.7647 97.9964 556958.3324 23.7286 23.6364 PRESSURE: 677400 307.297 42.0798 -194.007 42.0799 187.627 -42.4358 -194.006 -42.4383 -46.6611 GPRESSURE: 677400 286.73 102.91 -193.987 63.1682 273.94 -183.662 -153.803 -16.2576 -18.636 PRESSAVG: 677400 35.5168 28.7351 85.9578 28.7351 17.7825 -24.8072 85.9577 -24.8071 -37.7316 GPRESSAVG: 677400 34.7029 28.7842 83.4525 30.178 19.1444 -24.7443 87.9164 -25.2187 -38.122 TIMING: 677400 CPU: 1960.34, 0.00290255/step Wall: 1960.34, 0.00290255/step, 3.48515 hours remaining, 207.734375 MB of memory in use. ENERGY: 677400 742.2824 2057.4869 1925.2243 122.2569 -206284.6903 17848.0556 0.0000 0.0000 34412.0274 -149177.3568 300.5288 -183589.3842 -149080.4041 300.0546 149.4211 180.6780 554394.1044 5.1893 5.2418 PRESSURE: 677600 425.418 -29.3199 200.977 -29.3211 209.379 -61.3033 200.978 -61.3024 -17.634 GPRESSURE: 677600 446.045 2.83641 159.299 -87.233 206.317 -83.8216 274.684 20.3521 73.5528 PRESSAVG: 677600 62.2161 -49.3061 1.24738 -49.3061 36.7141 50.0502 1.2474 50.0504 -55.5246 GPRESSAVG: 677600 62.5632 -46.6805 3.42897 -50.7966 35.2403 50.2343 -1.06472 50.4448 -54.1772 TIMING: 677600 CPU: 1960.92, 0.00290828/step Wall: 1960.92, 0.00290828/step, 3.49187 hours remaining, 207.734375 MB of memory in use. ENERGY: 677600 687.3001 2075.8549 1940.1654 110.9072 -206215.8973 17838.3284 0.0000 0.0000 34387.4351 -149175.9063 300.3140 -183563.3414 -149071.9636 299.4008 205.7209 241.9714 555699.7310 14.4685 14.5421 PRESSURE: 677800 -39.9255 159.061 -47.6255 159.059 222.813 -52.5804 -47.625 -52.5808 -93.5135 GPRESSURE: 677800 14.6278 107.801 -28.4809 152.943 272.636 -51.2078 -47.5174 -168.645 -100.985 PRESSAVG: 677800 21.1684 33.3097 -37.5577 33.3097 10.3821 17.0104 -37.5578 17.0104 -23.4757 GPRESSAVG: 677800 20.3147 31.9757 -37.5077 34.5097 11.9329 18.3108 -36.7821 16.3467 -24.4876 TIMING: 677800 CPU: 1961.51, 0.00293386/step Wall: 1961.51, 0.00293386/step, 3.52242 hours remaining, 207.734375 MB of memory in use. ENERGY: 677800 743.3772 2104.6348 1918.2845 130.2164 -205922.2188 17640.9041 0.0000 0.0000 34273.9332 -149110.8687 299.3228 -183384.8019 -149013.7869 300.2471 29.7912 62.0929 555707.9626 2.6916 2.5867 PRESSURE: 678000 168.501 -130.437 -160.427 -130.438 115.582 8.07143 -160.427 8.06992 -290.144 GPRESSURE: 678000 179.894 -109.883 -173.018 -176.443 159.271 -42.0368 -151.558 73.0351 -246.927 PRESSAVG: 678000 24.687 -13.6064 9.25218 -13.6064 11.4873 12.3828 9.25215 12.3828 -52.2656 GPRESSAVG: 678000 26.2942 -14.5163 8.78984 -14.3113 9.81406 10.5359 7.62873 13.2864 -52.1443 TIMING: 678000 CPU: 1962.1, 0.00295552/step Wall: 1962.1, 0.00295552/step, 3.54826 hours remaining, 207.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 678000 752.7486 2127.4159 1943.1201 119.6347 -205638.0365 17550.5960 0.0000 0.0000 34122.3672 -149022.1540 297.9991 -183144.5211 -148925.1888 299.9250 -2.0204 30.7462 556924.8662 -5.3638 -5.3453 PRESSURE: 678200 217.869 59.2624 -142.242 59.2627 77.0175 7.7315 -142.243 7.73185 -194.797 GPRESSURE: 678200 216.908 12.0696 -74.8648 61.3391 139.572 -0.128467 -146.57 -19.0534 -168.736 PRESSAVG: 678200 69.9672 -71.0554 -60.0128 -71.0554 21.7434 3.45457 -60.0127 3.45459 -79.502 GPRESSAVG: 678200 69.9823 -72.0174 -59.9036 -69.9861 21.6631 3.71358 -58.9355 4.18704 -79.0825 TIMING: 678200 CPU: 1962.69, 0.00293635/step Wall: 1962.69, 0.00293635/step, 3.52509 hours remaining, 207.734375 MB of memory in use. ENERGY: 678200 739.7329 2128.6276 1931.5479 129.4561 -205977.2475 17699.2374 0.0000 0.0000 34419.6124 -148929.0332 300.5950 -183348.6456 -148828.8976 300.3086 33.3629 62.5814 556297.4598 4.0696 4.1876 PRESSURE: 678400 -58.7762 78.0399 -77.4625 78.0407 -398.768 99.5275 -77.4632 99.5252 -237.138 GPRESSURE: 678400 -48.8803 120.35 -61.219 117.498 -370.999 79.4175 -121.13 133.378 -188.251 PRESSAVG: 678400 27.5527 -31.8667 -37.9322 -31.8667 5.29452 25.8983 -37.9323 25.8983 -45.7112 GPRESSAVG: 678400 26.1714 -30.9895 -36.4964 -32.9127 7.42711 26.024 -36.4905 25.5259 -46.32 TIMING: 678400 CPU: 1963.28, 0.00293418/step Wall: 1963.28, 0.00293418/step, 3.52231 hours remaining, 207.734375 MB of memory in use. ENERGY: 678400 779.2564 2049.6256 1955.5364 121.1963 -205749.4308 17482.0198 0.0000 0.0000 34245.0722 -149116.7241 299.0707 -183361.7963 -149025.3327 299.9490 -231.5608 -202.7100 557931.9389 -4.2880 -4.2405 PRESSURE: 678600 444.158 119.167 -98.0801 119.167 -133.174 -49.1954 -98.0801 -49.196 202.959 GPRESSURE: 678600 427.251 121.886 -53.25 118.301 -62.1031 -83.1978 -160.152 -117.244 255.753 PRESSAVG: 678600 13.2181 -23.832 -56.039 -23.8319 -46.6145 -1.47013 -56.039 -1.47003 -3.65017 GPRESSAVG: 678600 15.1154 -24.298 -57.2008 -23.203 -47.5285 -2.47027 -58.0225 -2.69228 -3.77944 TIMING: 678600 CPU: 1963.86, 0.00290957/step Wall: 1963.86, 0.00290957/step, 3.49262 hours remaining, 207.734375 MB of memory in use. ENERGY: 678600 760.9621 2134.0952 1957.0390 111.0779 -206220.8837 17739.0778 0.0000 0.0000 34275.6779 -149242.9538 299.3380 -183518.6318 -149145.7093 299.6017 171.3144 206.9668 554426.4662 -12.3489 -12.0642 PRESSURE: 678800 137.642 -56.5024 -112.608 -56.5029 -70.0681 -250.165 -112.608 -250.167 12.4274 GPRESSURE: 678800 179.657 17.393 -124.525 -55.8099 -26.0177 -266.919 -125.034 -248.736 14.8644 PRESSAVG: 678800 -14.1762 41.9711 -27.6117 41.9712 82.3503 -0.825802 -27.6117 -0.825901 20.9833 GPRESSAVG: 678800 -15.2898 41.7038 -28.4811 41.6552 84.1608 -0.460962 -26.5884 -0.837293 20.8311 TIMING: 678800 CPU: 1964.44, 0.00292091/step Wall: 1964.44, 0.00292091/step, 3.50606 hours remaining, 207.734375 MB of memory in use. ENERGY: 678800 757.0965 2071.2147 1938.3587 120.7899 -206097.1980 17677.8723 0.0000 0.0000 34353.0967 -149178.7691 300.0141 -183531.8658 -149085.0595 299.7599 26.6669 56.1680 555424.4745 29.7192 29.9007 PRESSURE: 679000 10.0482 -7.60538 30.0701 -7.60357 -33.663 -81.3339 30.0707 -81.3327 -219.821 GPRESSURE: 679000 7.4661 -87.4061 -39.3269 23.5345 -7.90019 -60.7863 -23.1221 -121.231 -138.137 PRESSAVG: 679000 1.33548 -2.3438 -58.8218 -2.34371 23.8971 -30.1654 -58.8218 -30.1655 -25.0085 GPRESSAVG: 679000 2.10963 -2.44005 -60.3323 -2.74935 22.3332 -29.5502 -60.5949 -30.12 -24.1105 TIMING: 679000 CPU: 1965.02, 0.00290308/step Wall: 1965.02, 0.00290308/step, 3.4845 hours remaining, 207.734375 MB of memory in use. ENERGY: 679000 763.9206 2080.3692 1963.8368 119.1461 -205997.3295 17648.2916 0.0000 0.0000 34332.7186 -149089.0466 299.8362 -183421.7651 -148992.7083 299.4760 -81.1453 -46.1904 556704.8305 0.0747 0.1108 PRESSURE: 679200 -149.948 37.9166 36.0828 37.916 22.2687 21.1523 36.0832 21.1514 6.62235 GPRESSURE: 679200 -112.197 76.713 29.793 10.8369 56.5364 54.4425 65.0349 1.33454 29.2044 PRESSAVG: 679200 58.6707 12.691 37.2671 12.6909 11.6273 -29.4015 37.2672 -29.4014 -24.9206 GPRESSAVG: 679200 58.9848 12.6181 38.2564 12.6508 11.5164 -31.0869 37.7268 -28.3596 -25.1546 TIMING: 679200 CPU: 1965.61, 0.00294207/step Wall: 1965.61, 0.00294207/step, 3.53114 hours remaining, 207.734375 MB of memory in use. ENERGY: 679200 773.1527 2133.3151 1953.9036 105.7562 -206027.4314 17856.5572 0.0000 0.0000 34283.2527 -148921.4938 299.4042 -183204.7465 -148824.7087 299.9030 -40.3523 -8.8187 557584.2379 15.1258 15.1155 PRESSURE: 679400 72.429 -146.027 43.2597 -146.027 -152.272 23.5654 43.2595 23.5667 -184.409 GPRESSURE: 679400 122.532 -92.9281 88.6177 -180.775 -99.0657 -56.3975 -20.3611 90.0616 -190.55 PRESSAVG: 679400 43.0884 -32.4089 -13.9549 -32.4089 38.9312 33.5152 -13.9549 33.5152 -78.5755 GPRESSAVG: 679400 43.4661 -32.9672 -13.9025 -34.5085 39.2856 32.2224 -14.1866 32.1688 -78.9191 TIMING: 679400 CPU: 1966.2, 0.00291982/step Wall: 1966.2, 0.00291982/step, 3.50427 hours remaining, 207.734375 MB of memory in use. ENERGY: 679400 734.5921 2057.0344 1934.0911 117.2012 -206068.9962 17768.4120 0.0000 0.0000 34555.6807 -148901.9848 301.7834 -183457.6655 -148803.3163 300.0507 -88.0839 -55.6944 557650.7929 1.1480 1.2775 PRESSURE: 679600 -143.631 103.304 -47.9208 103.306 -151.481 205.151 -47.9212 205.151 93.2809 GPRESSURE: 679600 -52.1751 105.253 46.22 26.7942 -119.317 229.292 -154.118 189.128 57.4918 PRESSAVG: 679600 4.93661 22.5894 -18.5583 22.5895 -31.57 12.5239 -18.5583 12.524 4.81634 GPRESSAVG: 679600 6.0096 23.9628 -17.9408 25.915 -31.3373 14.0285 -18.0851 13.9171 3.68904 TIMING: 679600 CPU: 1966.78, 0.00290445/step Wall: 1966.78, 0.00290444/step, 3.48566 hours remaining, 207.734375 MB of memory in use. ENERGY: 679600 746.6602 2050.8255 1919.9272 130.8835 -205832.6098 17694.8097 0.0000 0.0000 34225.2005 -149064.3031 298.8972 -183289.5036 -148975.0246 300.6260 -67.2771 -38.0000 557367.4109 -7.2724 -7.2129 PRESSURE: 679800 -219.457 21.147 5.97579 21.1474 -130.028 163.403 5.97544 163.401 4.77815 GPRESSURE: 679800 -200.472 -56.0462 92.5023 95.4127 -72.4614 183.912 -36.7047 150.899 22.3623 PRESSAVG: 679800 -48.4061 7.58471 68.5214 7.58472 45.2463 -12.7764 68.5214 -12.7763 30.9634 GPRESSAVG: 679800 -50.3275 6.14635 67.2461 5.26725 45.6975 -12.1455 68.3242 -14.1125 32.5604 TIMING: 679800 CPU: 1967.36, 0.0029188/step Wall: 1967.36, 0.0029188/step, 3.50272 hours remaining, 207.734375 MB of memory in use. ENERGY: 679800 722.6903 2055.7986 1945.4983 117.4409 -205960.7617 17635.6140 0.0000 0.0000 34558.1631 -148925.5564 301.8050 -183483.7195 -148824.7920 300.1451 -114.9023 -83.5235 557325.7109 9.2678 9.3101 PRESSURE: 680000 44.5221 -151.686 89.1918 -151.685 27.0544 12.3557 89.1934 12.3565 -455.41 GPRESSURE: 680000 54.4568 -133.728 104.192 -141.831 46.7796 -13.9782 95.4111 -16.198 -407.094 PRESSAVG: 680000 -4.84686 -5.19412 51.3118 -5.19412 57.5006 9.93325 51.3118 9.93323 -26.4858 GPRESSAVG: 680000 -5.2728 -4.4037 51.0615 -3.12055 58.4186 10.7171 53.2682 9.00289 -27.0086 TIMING: 680000 CPU: 1967.94, 0.00288451/step Wall: 1967.94, 0.00288451/step, 3.46141 hours remaining, 207.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 680000 717.0745 2056.9783 1950.4984 123.0799 -205153.6388 17313.2228 0.0000 0.0000 34317.8163 -148674.9686 299.7060 -182992.7850 -148570.5160 300.5835 -127.9446 -101.9527 557467.1432 8.7227 8.7124 PRESSURE: 680200 -24.8733 33.5228 1.31214 33.524 -47.3938 -74.5111 1.31193 -74.5109 -49.9334 GPRESSURE: 680200 -27.8661 36.7997 -20.4879 6.71228 64.5 -86.873 5.0015 -43.9324 -65.0008 PRESSAVG: 680200 -21.3965 -0.925978 -34.6969 -0.925934 18.0548 19.9743 -34.6968 19.9743 -36.1406 GPRESSAVG: 680200 -19.5755 -2.07294 -32.8061 0.68773 15.3727 20.6772 -36.8265 21.1137 -35.7558 TIMING: 680200 CPU: 1968.52, 0.0029181/step Wall: 1968.52, 0.0029181/step, 3.50156 hours remaining, 207.734375 MB of memory in use. ENERGY: 680200 743.1289 2120.1167 1944.3342 114.2025 -205507.5937 17622.5950 0.0000 0.0000 34270.6167 -148692.5997 299.2938 -182963.2164 -148594.0053 300.3460 -40.7335 -9.4557 558329.7316 -13.1608 -13.3195 LDB: ============= START OF LOAD BALANCING ============== 1971.91 LDB: ============== END OF LOAD BALANCING =============== 1971.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1971.91 LDB: ============= START OF LOAD BALANCING ============== 1972.2 LDB: Largest compute 4820 load 0.026658 is 22.6% of average load 0.117924 LDB: Average compute 0.001718 is 1.5% of average load 0.117924 LDB: TIME 1972.21 LOAD: AVG 0.117924 MAX 0.185645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.879 MB LDB: TIME 1972.21 LOAD: AVG 0.117924 MAX 0.185645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.082 MB LDB: TIME 1972.21 LOAD: AVG 0.117924 MAX 0.185645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.082 MB LDB: ============== END OF LOAD BALANCING =============== 1972.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1972.21 PRESSURE: 680400 -61.414 -22.0424 9.37753 -22.0413 359.675 62.6991 9.37666 62.6991 195.608 GPRESSURE: 680400 -16.4888 -38.4577 12.2018 -21.989 411.083 143.433 -24.6369 38.4975 203.976 PRESSAVG: 680400 16.6195 18.3994 -13.7249 18.3995 38.9195 19.6241 -13.7249 19.6241 -32.2185 GPRESSAVG: 680400 16.7366 18.5862 -15.5192 16.2253 39.3899 21.1394 -14.3555 18.7984 -32.4696 TIMING: 680400 CPU: 1969.12, 0.00297683/step Wall: 1969.12, 0.00297683/step, 3.57187 hours remaining, 206.070312 MB of memory in use. ENERGY: 680400 700.7171 2022.3768 1919.4792 119.2747 -205806.7532 17876.4218 0.0000 0.0000 34548.5172 -148619.9663 301.7208 -183168.4835 -148527.6339 300.8216 164.6227 199.5232 556641.8623 7.7735 7.8856 PRESSURE: 680600 95.4197 -30.7569 14.7491 -30.7564 -229.848 36.4401 14.7495 36.4407 57.8489 GPRESSURE: 680600 156.529 11.8674 15.0799 -61.43 -198.625 -52.9548 37.933 67.021 60.7076 PRESSAVG: 680600 -28.0891 -22.4866 -5.81985 -22.4866 -31.9554 46.8136 -5.81978 46.8136 34.804 GPRESSAVG: 680600 -29.0651 -22.5629 -2.83335 -21.3249 -31.028 44.2652 -4.91619 48.2327 35.1104 TIMING: 680600 CPU: 1969.7, 0.00293009/step Wall: 1969.7, 0.00293009/step, 3.51562 hours remaining, 206.269531 MB of memory in use. ENERGY: 680600 724.7309 2099.2068 1927.2155 119.1601 -205772.7338 17659.7949 0.0000 0.0000 34506.8326 -148735.7929 301.3568 -183242.6256 -148637.0838 300.8656 -25.5265 6.2040 558628.0706 -8.4135 -8.3276 PRESSURE: 680800 150.463 -64.1984 22.9163 -64.1981 20.4443 -102.454 22.915 -102.454 56.2757 GPRESSURE: 680800 156.948 -70.5666 113.913 -132.024 81.376 -199.056 -12.3303 -3.29275 90.7477 PRESSAVG: 680800 -32.4514 4.81031 62.248 4.81044 7.6729 18.5023 62.2479 18.5024 50.063 GPRESSAVG: 680800 -31.6093 6.05744 61.7368 3.0658 6.85348 18.5641 63.4651 18.0164 50.4065 TIMING: 680800 CPU: 1970.29, 0.00292716/step Wall: 1970.29, 0.00292716/step, 3.51194 hours remaining, 206.269531 MB of memory in use. ENERGY: 680800 716.0268 2079.3311 1959.2411 131.3386 -206265.9933 18010.0254 0.0000 0.0000 34518.3695 -148851.6608 301.4575 -183370.0303 -148749.6318 300.8078 75.7276 109.6907 559026.1249 8.4282 8.5502 PRESSURE: 681000 -127.75 1.81001 -3.92084 1.81066 -230.107 -141.356 -3.92147 -141.357 -159.977 GPRESSURE: 681000 -118.624 63.1382 -47.1981 22.1216 -233.518 -127.167 -98.9638 -71.3023 -75.5289 PRESSAVG: 681000 20.4652 -26.0694 16.6973 -26.0694 11.2923 2.81644 16.6971 2.81646 -13.8116 GPRESSAVG: 681000 20.2252 -24.7566 14.5674 -26.0939 12.3042 4.64223 15.7928 3.63008 -14.2682 TIMING: 681000 CPU: 1970.87, 0.00290438/step Wall: 1970.87, 0.00290438/step, 3.48445 hours remaining, 206.269531 MB of memory in use. ENERGY: 681000 762.9768 2115.1606 1956.3593 118.2328 -205777.6135 17625.2517 0.0000 0.0000 34344.0569 -148855.5754 299.9352 -183199.6323 -148761.9555 301.0011 -172.6114 -142.5571 559279.5424 5.9820 6.0871 PRESSURE: 681200 -246.948 51.9079 162.392 51.9077 -60.6792 54.9894 162.391 54.988 72.3511 GPRESSURE: 681200 -208.494 89.3125 81.1971 -18.4388 -26.5935 110.638 60.3815 2.20983 83.9201 PRESSAVG: 681200 -44.793 6.81624 -5.1578 6.81633 45.6151 33.1327 -5.15778 33.1327 -7.30681 GPRESSAVG: 681200 -43.8556 5.24618 -4.89884 8.26053 44.8896 33.0406 -4.66867 30.6418 -7.12396 TIMING: 681200 CPU: 1971.45, 0.0028904/step Wall: 1971.45, 0.0028904/step, 3.46751 hours remaining, 206.269531 MB of memory in use. ENERGY: 681200 740.9953 2127.4244 1940.4142 121.5743 -205948.0109 17647.8566 0.0000 0.0000 34428.8754 -148940.8706 300.6759 -183369.7460 -148835.4678 300.1481 -78.4252 -50.3891 558454.1443 -2.1616 -2.0300 PRESSURE: 681400 33.9387 -211.959 36.0706 -211.96 -64.0998 24.3132 36.0693 24.3134 -151.8 GPRESSURE: 681400 71.5578 -242.261 62.3207 -253.534 -39.382 4.4038 26.2602 38.3994 -123.99 PRESSAVG: 681400 13.6276 29.7259 -25.8438 29.7259 -1.33616 41.8685 -25.8439 41.8685 -17.063 GPRESSAVG: 681400 13.0455 28.8954 -25.2832 31.0161 -0.36007 41.2548 -26.3103 42.1361 -17.807 TIMING: 681400 CPU: 1972.03, 0.00290121/step Wall: 1972.03, 0.00290121/step, 3.48032 hours remaining, 206.269531 MB of memory in use. ENERGY: 681400 746.0626 2076.7053 1953.9855 121.5515 -205976.9393 17649.8124 0.0000 0.0000 34300.7049 -149128.1172 299.5566 -183428.8221 -149031.7880 300.2340 -60.6535 -30.6047 556577.1922 -1.5905 -1.7072 PRESSURE: 681600 96.1844 47.6265 45.4412 47.6257 39.423 -44.7662 45.4408 -44.7658 -247.435 GPRESSURE: 681600 91.9145 46.1141 -51.4502 58.8175 58.7606 -48.4007 89.9927 -23.985 -179.289 PRESSAVG: 681600 31.363 17.8637 -29.5351 17.8637 -6.87221 -36.0524 -29.5351 -36.0524 12.0555 GPRESSAVG: 681600 31.168 19.835 -29.3958 15.096 -8.46978 -36.4652 -27.9043 -34.2034 14.0735 TIMING: 681600 CPU: 1972.61, 0.00291803/step Wall: 1972.61, 0.00291803/step, 3.50033 hours remaining, 206.269531 MB of memory in use. ENERGY: 681600 753.6324 2098.3163 1931.5415 107.0472 -205977.6678 17759.4613 0.0000 0.0000 34371.7475 -148955.9216 300.1770 -183327.6691 -148850.1143 300.1394 -37.2760 -9.5381 556744.9918 12.1821 12.2573 PRESSURE: 681800 77.8173 -27.8727 -13.2058 -27.8713 85.9228 -111.985 -13.2048 -111.984 -19.663 GPRESSURE: 681800 112.403 -92.4871 -50.2746 -24.6477 136.901 -144.018 14.146 -165.605 -8.86526 PRESSAVG: 681800 -11.5392 78.043 -18.514 78.043 48.1652 25.7132 -18.514 25.7132 18.5642 GPRESSAVG: 681800 -10.6483 75.6393 -19.0033 79.5051 49.3312 23.2841 -19.043 26.2591 17.3387 TIMING: 681800 CPU: 1973.19, 0.00291166/step Wall: 1973.19, 0.00291166/step, 3.49253 hours remaining, 206.269531 MB of memory in use. ENERGY: 681800 754.3804 2095.5344 1953.5236 109.4527 -205942.2301 17725.1447 0.0000 0.0000 34337.1088 -148967.0855 299.8745 -183304.1943 -148863.3691 300.0312 48.0257 80.1462 556935.8558 18.3967 18.6739 PRESSURE: 682000 178.582 -30.6605 -2.18547 -30.6609 18.0358 22.2436 -2.18541 22.2426 -123.508 GPRESSURE: 682000 177.779 3.91006 -9.24925 -64.8117 38.3986 -19.5747 0.904769 89.224 -49.9701 PRESSAVG: 682000 5.73801 26.0111 -7.70429 26.011 -55.4563 -1.84901 -7.70435 -1.84907 4.15839 GPRESSAVG: 682000 5.47933 26.3632 -5.084 26.3589 -54.3705 0.422063 -8.54843 -4.31634 3.83565 TIMING: 682000 CPU: 1973.78, 0.00291931/step Wall: 1973.78, 0.00291931/step, 3.50155 hours remaining, 206.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 682000 771.7025 2065.9211 1952.8673 125.8370 -205941.6540 17716.5861 0.0000 0.0000 34464.5457 -148844.1942 300.9874 -183308.7400 -148749.8190 299.5327 24.3701 55.4025 557299.0664 -15.1866 -15.0185 PRESSURE: 682200 -81.0283 99.544 -29.7378 99.5448 -98.6057 111.88 -29.7384 111.881 -173.119 GPRESSURE: 682200 -18.4711 154.283 -152.681 83.6302 -75.3298 40.5793 16.6003 125.827 -160.869 PRESSAVG: 682200 16.8784 -3.36052 8.77689 -3.36058 3.89685 68.2179 8.77684 68.2179 -27.2597 GPRESSAVG: 682200 18.5039 -3.46117 5.98 -2.71077 2.18461 71.95 8.14387 66.7068 -27.4619 TIMING: 682200 CPU: 1974.35, 0.0028893/step Wall: 1974.35, 0.0028893/step, 3.46539 hours remaining, 206.269531 MB of memory in use. ENERGY: 682200 764.8150 2076.7110 1926.4553 124.5125 -205737.8201 17629.0410 0.0000 0.0000 34409.4254 -148806.8600 300.5061 -183216.2853 -148711.9868 300.3652 -117.5844 -84.8899 557687.8792 -2.1615 -2.2578 PRESSURE: 682400 354.643 125.654 48.5789 125.654 78.6281 -133.729 48.5797 -133.728 -33.0538 GPRESSURE: 682400 384.174 113.58 53.9277 126.5 121.089 -154.558 -16.2311 -36.7994 -14.4964 PRESSAVG: 682400 50.8282 56.4473 24.7132 56.4473 17.6019 80.2403 24.7133 80.2404 -67.0487 GPRESSAVG: 682400 49.8946 56.6151 24.4476 54.9916 17.6396 75.297 25.795 82.8983 -66.8818 TIMING: 682400 CPU: 1974.93, 0.00290272/step Wall: 1974.93, 0.00290272/step, 3.48132 hours remaining, 206.269531 MB of memory in use. ENERGY: 682400 796.8498 2030.0394 1919.2535 123.7588 -205894.1158 17950.9101 0.0000 0.0000 34293.2139 -148780.0902 299.4912 -183073.3042 -148684.9806 300.3975 133.4057 163.5889 557836.0766 0.4605 0.2175 PRESSURE: 682600 -139.101 84.0444 -41.8632 84.0453 -143.744 48.3727 -41.8635 48.3725 -149.202 GPRESSURE: 682600 -178.799 38.2326 23.7488 98.6476 -113.871 14.8877 -98.935 73.3038 -49.9776 PRESSAVG: 682600 -8.34123 -6.65387 27.8331 -6.65389 -3.32193 67.1206 27.833 67.1204 23.421 GPRESSAVG: 682600 -8.80063 -4.29392 27.0266 -6.55244 -1.72575 68.9297 27.6033 65.3147 22.7321 TIMING: 682600 CPU: 1975.52, 0.00291834/step Wall: 1975.52, 0.00291834/step, 3.4999 hours remaining, 206.269531 MB of memory in use. ENERGY: 682600 754.1412 2164.5448 1916.6520 106.7559 -205850.5562 17678.7859 0.0000 0.0000 34369.9574 -148859.7190 300.1614 -183229.6764 -148763.7948 299.6914 -144.0159 -114.2158 557439.9895 3.9193 4.0686 PRESSURE: 682800 -438.69 77.8866 -25.5243 77.8864 -246.595 -14.7034 -25.5244 -14.7041 -28.8829 GPRESSURE: 682800 -410.281 80.3094 -65.1131 91.3509 -203.168 -31.4555 -24.2046 41.3178 -10.9108 PRESSAVG: 682800 -4.29673 12.0632 -43.613 12.0632 23.6032 -18.4543 -43.6131 -18.4542 -5.4214 GPRESSAVG: 682800 -4.01887 10.4299 -41.1153 12.017 23.251 -17.755 -45.5331 -19.3377 -5.06541 TIMING: 682800 CPU: 1976.1, 0.00289733/step Wall: 1976.1, 0.00289733/step, 3.47454 hours remaining, 206.269531 MB of memory in use. ENERGY: 682800 730.0601 2095.7696 1947.4756 115.8793 -205718.4886 17453.6956 0.0000 0.0000 34181.4045 -149194.2038 298.5147 -183375.6083 -149095.0760 299.5484 -238.0558 -208.1198 560366.8370 4.6284 4.7222 PRESSURE: 683000 -38.0154 -96.3527 -120.933 -96.3537 71.7622 18.0246 -120.932 18.0233 5.8979 GPRESSURE: 683000 -46.7449 -119.195 -268.757 -230.769 127.3 7.24521 -125.712 -55.1408 41.0632 PRESSAVG: 683000 35.325 -50.4426 10.1745 -50.4426 44.595 -12.0486 10.1744 -12.0486 -34.9431 GPRESSAVG: 683000 35.0247 -48.1942 9.44315 -52.8663 44.8048 -16.2757 11.5733 -9.4447 -35.1319 TIMING: 683000 CPU: 1976.68, 0.00290786/step Wall: 1976.68, 0.00290786/step, 3.48701 hours remaining, 206.390625 MB of memory in use. ENERGY: 683000 760.4996 2091.1350 1944.4427 119.1215 -206377.8910 17933.4384 0.0000 0.0000 34273.6366 -149255.6173 299.3202 -183529.2539 -149161.3217 299.2543 13.2149 40.5393 557059.3174 14.9923 14.8992 PRESSURE: 683200 3.07824 45.7213 234.57 45.7203 29.57 176.973 234.57 176.973 -126.673 GPRESSURE: 683200 81.0005 102.081 223.504 32.6964 -3.51522 213.127 277.351 107.841 -72.6397 PRESSAVG: 683200 -37.3406 -25.4537 -15.7566 -25.4538 58.9761 -4.87198 -15.7566 -4.87203 -22.9554 GPRESSAVG: 683200 -37.9086 -26.7599 -17.1829 -23.0128 59.4441 -0.817935 -15.317 -6.5185 -23.0387 TIMING: 683200 CPU: 1977.26, 0.00290367/step Wall: 1977.26, 0.00290367/step, 3.48183 hours remaining, 206.390625 MB of memory in use. ENERGY: 683200 739.2403 2093.9571 1944.7963 114.2158 -206536.1802 17912.4080 0.0000 0.0000 34431.7896 -149299.7731 300.7014 -183731.5627 -149203.7111 298.7246 -31.3416 1.6152 557558.0125 -0.4400 -0.5011 PRESSURE: 683400 -180.189 -104.832 90.0495 -104.831 92.4779 -58.1757 90.0504 -58.1747 160.561 GPRESSURE: 683400 -119.514 -164.294 139.711 4.26651 37.0829 -52.2208 34.1196 -56.4276 239.523 PRESSAVG: 683400 55.5822 -40.8043 7.78051 -40.8043 -11.158 56.3941 7.78052 56.3941 -60.5086 GPRESSAVG: 683400 55.5398 -43.6481 9.41874 -38.5726 -11.489 56.1826 5.83234 57.3753 -59.6158 TIMING: 683400 CPU: 1977.84, 0.00289645/step Wall: 1977.84, 0.00289645/step, 3.473 hours remaining, 206.390625 MB of memory in use. ENERGY: 683400 774.5920 2094.8246 1935.0877 114.2390 -206308.4257 17848.0411 0.0000 0.0000 34274.8993 -149266.7419 299.3312 -183541.6412 -149169.1919 298.8563 24.2833 52.3643 556121.8450 -5.3615 -5.1883 PRESSURE: 683600 -49.0972 178.309 -36.1428 178.309 -252.223 111.292 -36.1443 111.292 77.4618 GPRESSURE: 683600 -46.6465 265.612 13.1883 101.979 -210.914 67.4195 -103.891 39.3204 120.078 PRESSAVG: 683600 -12.4753 -57.0557 27.3469 -57.0556 -10.7863 -46.754 27.3469 -46.754 42.1269 GPRESSAVG: 683600 -12.2975 -55.1071 27.7821 -58.9955 -10.6678 -48.4958 27.5789 -46.528 41.6678 TIMING: 683600 CPU: 1978.42, 0.00290107/step Wall: 1978.42, 0.00290107/step, 3.47838 hours remaining, 206.390625 MB of memory in use. ENERGY: 683600 734.4461 2162.6027 1907.9796 113.2056 -206026.8651 17550.9590 0.0000 0.0000 34494.3180 -149063.3541 301.2475 -183557.6721 -148969.7106 299.4133 -74.6194 -45.8274 556390.7736 6.2884 6.2342 PRESSURE: 683800 -234.568 41.3816 137.029 41.3827 266.705 30.4367 137.028 30.4363 -83.1228 GPRESSURE: 683800 -241.715 56.0781 168.097 26.2499 328.779 99.0131 135.785 -65.2459 -36.4367 PRESSAVG: 683800 16.0445 1.45135 12.5247 1.45145 7.7326 -2.03287 12.5248 -2.03285 21.0754 GPRESSAVG: 683800 16.866 0.240927 12.1725 1.0855 6.79529 0.173532 13.6674 -1.94073 21.4306 TIMING: 683800 CPU: 1979, 0.00289798/step Wall: 1979, 0.00289798/step, 3.47452 hours remaining, 206.390625 MB of memory in use. ENERGY: 683800 794.9220 2077.8185 1941.2745 105.0392 -206148.2819 17822.4394 0.0000 0.0000 34155.3296 -149251.4588 298.2870 -183406.7884 -149155.8994 299.6958 -16.9951 16.8757 556327.2976 14.9508 15.0306 PRESSURE: 684000 -135.157 -60.8464 -79.5841 -60.8464 -23.1129 27.6453 -79.5841 27.6435 -324.456 GPRESSURE: 684000 -28.7325 -36.1547 -137.558 9.33457 -67.9261 51.0526 -47.4858 -60.9532 -281.321 PRESSAVG: 684000 10.6576 12.9899 25.4392 12.9899 56.8506 0.817192 25.4392 0.81732 -49.3974 GPRESSAVG: 684000 10.1702 14.3731 24.7762 11.7597 57.024 -2.55775 28.2379 0.591593 -50.015 TIMING: 684000 CPU: 1979.57, 0.00287592/step Wall: 1979.57, 0.00287592/step, 3.4479 hours remaining, 206.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 684000 759.1264 2111.6037 1954.7521 108.4871 -205781.4384 17435.0293 0.0000 0.0000 34211.5973 -149200.8425 298.7784 -183412.4398 -149102.2155 298.7675 -160.9087 -125.9933 556626.9805 6.0370 5.7264 PRESSURE: 684200 -59.2129 14.9085 60.208 14.9092 -99.9088 -12.1226 60.2092 -12.1222 -287.688 GPRESSURE: 684200 -27.4229 -9.38225 -12.8788 4.9335 -84.9205 -76.601 182.838 23.8589 -236.73 PRESSAVG: 684200 5.37065 -39.5507 49.3603 -39.5507 88.388 -65.2841 49.3603 -65.2841 -70.5704 GPRESSAVG: 684200 5.81097 -38.4515 47.7947 -40.2585 88.0098 -63.6202 47.9578 -65.0572 -70.2235 TIMING: 684200 CPU: 1980.15, 0.0028788/step Wall: 1980.15, 0.0028788/step, 3.4512 hours remaining, 206.390625 MB of memory in use. ENERGY: 684200 808.7293 2032.0907 1966.7385 116.3536 -206148.0746 17703.6031 0.0000 0.0000 34272.6604 -149247.8990 299.3117 -183520.5594 -149152.6943 299.1375 -148.9366 -116.3577 558139.6834 7.7294 7.8658 LDB: ============= START OF LOAD BALANCING ============== 1983.54 LDB: ============== END OF LOAD BALANCING =============== 1983.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1983.54 LDB: ============= START OF LOAD BALANCING ============== 1983.83 LDB: Largest compute 4820 load 0.026355 is 22.3% of average load 0.117924 LDB: Average compute 0.001712 is 1.5% of average load 0.117924 LDB: TIME 1983.83 LOAD: AVG 0.117924 MAX 0.18675 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.852 MB LDB: TIME 1983.83 LOAD: AVG 0.117924 MAX 0.18675 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.852 MB LDB: TIME 1983.83 LOAD: AVG 0.117924 MAX 0.18675 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.852 MB LDB: ============== END OF LOAD BALANCING =============== 1983.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1983.84 PRESSURE: 684400 -248.159 -53.1011 53.5765 -53.1011 -54.1785 -55.3601 53.575 -55.3599 -337.923 GPRESSURE: 684400 -214.173 -17.8603 36.7995 -64.418 -33.9946 -91.6669 69.9816 -20.3208 -301.284 PRESSAVG: 684400 -59.9988 7.71337 26.4138 7.71334 55.6865 -75.6928 26.4137 -75.6927 -27.6399 GPRESSAVG: 684400 -60.4488 6.45116 28.5359 11.015 56.402 -75.3349 26.5201 -75.6396 -27.9025 TIMING: 684400 CPU: 1980.74, 0.00296116/step Wall: 1980.74, 0.00296116/step, 3.54978 hours remaining, 207.582031 MB of memory in use. ENERGY: 684400 740.8272 2141.5375 1945.7957 104.6479 -206126.5579 17583.7082 0.0000 0.0000 34434.7293 -149175.3123 300.7271 -183610.0416 -149077.3895 299.7100 -213.4203 -183.1505 558504.3682 -10.6508 -10.6498 PRESSURE: 684600 -44.1379 -21.2638 -74.3583 -21.2647 -93.931 173.197 -74.3579 173.196 42.9556 GPRESSURE: 684600 -86.3297 -0.703216 -92.7418 -63.0397 -54.2333 169.663 -76.4304 110.697 130.749 PRESSAVG: 684600 -7.32488 14.7807 -0.602279 14.7806 -24.2075 -55.7631 -0.602273 -55.7632 33.75 GPRESSAVG: 684600 -6.08623 15.4655 -1.61638 13.4971 -24.8427 -56.0519 -2.60786 -55.4737 32.1947 TIMING: 684600 CPU: 1981.32, 0.00288627/step Wall: 1981.32, 0.00288627/step, 3.45984 hours remaining, 207.582031 MB of memory in use. ENERGY: 684600 768.7722 2123.5494 1926.5966 107.7368 -206122.8499 17891.5323 0.0000 0.0000 34081.1497 -149223.5130 297.6392 -183304.6626 -149129.5645 299.5917 -31.7044 -3.2715 560007.8297 0.7392 0.4219 PRESSURE: 684800 -169.646 -32.8086 -179.626 -32.8081 -138.392 120.692 -179.626 120.691 -258.884 GPRESSURE: 684800 -116.784 -47.9485 -139.802 8.85829 -140.847 118.424 -114.168 47.0601 -226.728 PRESSAVG: 684800 -14.5215 -23.4502 10.0704 -23.4502 11.7417 -4.80145 10.0704 -4.80161 8.05772 GPRESSAVG: 684800 -16.0183 -25.1887 12.6445 -24.0874 12.5356 -3.92355 11.7683 -6.18846 8.37822 TIMING: 684800 CPU: 1981.9, 0.0028878/step Wall: 1981.9, 0.0028878/step, 3.46151 hours remaining, 207.621094 MB of memory in use. ENERGY: 684800 791.1409 2103.9595 1929.5342 105.5071 -206166.6540 17675.8918 0.0000 0.0000 34263.4065 -149297.2139 299.2309 -183560.6204 -149201.6270 299.2887 -188.9741 -161.4528 559507.0052 1.7593 1.6319 PRESSURE: 685000 -61.7672 75.1972 -23.5848 75.1979 -25.2436 -92.5097 -23.586 -92.5094 -67.9643 GPRESSURE: 685000 -4.60287 130.109 -11.5773 1.80598 -43.1406 -69.2657 4.64015 -87.4572 -11.7788 PRESSAVG: 685000 -7.2602 13.787 -57.7263 13.7871 4.94659 -27.4276 -57.7264 -27.4277 -0.444378 GPRESSAVG: 685000 -7.69374 14.3621 -59.89 15.6584 5.72123 -28.1471 -57.1571 -26.3259 -0.647758 TIMING: 685000 CPU: 1982.48, 0.00290433/step Wall: 1982.48, 0.00290433/step, 3.48116 hours remaining, 207.746094 MB of memory in use. ENERGY: 685000 779.5115 2073.0858 1939.4511 102.9568 -206200.9731 17813.1928 0.0000 0.0000 34350.4196 -149142.3556 299.9908 -183492.7752 -149048.5897 299.3034 -51.6584 -19.8408 557568.9721 -0.9193 -0.8734 PRESSURE: 685200 -3.32686 -87.1085 -54.7335 -87.1072 24.1087 80.3747 -54.7336 80.3767 -20.7523 GPRESSURE: 685200 42.2623 -56.8699 -28.3722 -58.6663 38.7578 86.9771 -119.727 34.3004 12.3901 PRESSAVG: 685200 -54.7548 3.56613 -37.8403 3.56608 59.5413 -63.2187 -37.8403 -63.2187 -21.8563 GPRESSAVG: 685200 -54.883 6.08479 -38.7866 0.225025 59.4022 -62.0076 -38.2334 -64.0692 -21.4592 TIMING: 685200 CPU: 1983.06, 0.00293094/step Wall: 1983.06, 0.00293094/step, 3.5129 hours remaining, 207.746094 MB of memory in use. ENERGY: 685200 751.5946 2124.9414 1934.8285 110.5566 -206270.9303 17885.1032 0.0000 0.0000 34116.4046 -149347.5014 297.9470 -183463.9059 -149257.2168 299.5451 0.0098 31.1367 558348.5626 -5.6899 -5.6467 PRESSURE: 685400 136.645 -21.2263 25.2766 -21.227 147.056 -218.363 25.2774 -218.363 65.539 GPRESSURE: 685400 132.071 -44.8429 51.2891 -31.0183 203.933 -208.788 6.35598 -279.498 110.111 PRESSAVG: 685400 9.36727 9.34148 -39.4017 9.34157 21.1524 -46.2993 -39.4018 -46.2992 20.0532 GPRESSAVG: 685400 8.8989 6.25236 -39.1161 12.348 20.032 -47.3641 -38.8626 -44.5908 21.6952 TIMING: 685400 CPU: 1983.65, 0.00291792/step Wall: 1983.65, 0.00291793/step, 3.49713 hours remaining, 207.746094 MB of memory in use. ENERGY: 685400 716.8301 2096.9120 1951.2163 110.1059 -206402.5934 17936.3982 0.0000 0.0000 34061.6501 -149529.4808 297.4689 -183591.1309 -149443.3182 298.3363 116.4133 148.7052 557842.7514 16.8576 16.8754 PRESSURE: 685600 -171.401 40.3736 -76.0166 40.373 58.4282 -94.4144 -76.0193 -94.4143 -145.785 GPRESSURE: 685600 -113.829 63.4597 -118.589 -25.7376 46.9182 -53.8108 -41.7511 -140.836 -102.634 PRESSAVG: 685600 -9.31572 10.5783 -1.02522 10.5782 33.7145 -14.5494 -1.02524 -14.5493 -15.7674 GPRESSAVG: 685600 -8.86019 12.421 0.875941 8.879 34.5494 -13.1122 -2.47121 -14.863 -17.7446 TIMING: 685600 CPU: 1984.23, 0.00288522/step Wall: 1984.23, 0.00288522/step, 3.45777 hours remaining, 207.746094 MB of memory in use. ENERGY: 685600 741.9149 2090.4488 1933.2834 118.7316 -206468.6694 17767.6509 0.0000 0.0000 34415.0628 -149401.5770 300.5553 -183816.6398 -149294.3167 298.4309 -86.2529 -56.5148 557231.3775 2.8771 2.6482 PRESSURE: 685800 -3.90984 87.7086 -48.4642 87.7088 171.248 -234.941 -48.4646 -234.94 82.747 GPRESSURE: 685800 80.9136 6.16952 -37.4578 151.134 171.576 -279.956 -63.7486 -180.435 100.95 PRESSAVG: 685800 23.7068 16.4958 -22.9457 16.4958 -2.36822 -2.27176 -22.9456 -2.27174 19.7264 GPRESSAVG: 685800 24.2805 15.0324 -23.7222 17.2182 -4.3907 -2.9778 -20.6784 -2.10685 20.7937 TIMING: 685800 CPU: 1984.81, 0.00291473/step Wall: 1984.81, 0.00291473/step, 3.49298 hours remaining, 207.746094 MB of memory in use. ENERGY: 685800 705.7297 2023.2299 1948.9967 128.9259 -205938.6889 17774.9491 0.0000 0.0000 34135.1237 -149221.7340 298.1105 -183356.8577 -149129.6888 299.3851 83.3617 117.8132 557004.0411 13.6883 13.5612 PRESSURE: 686000 124.31 -30.3773 40.3159 -30.3758 -27.0097 -19.4565 40.3155 -19.4572 228.069 GPRESSURE: 686000 160.886 -66.8349 5.69774 3.92409 52.5405 10.3441 42.6215 62.1223 216.495 PRESSAVG: 686000 41.3895 -36.0733 3.15873 -36.0733 14.9254 -15.8291 3.15873 -15.8292 -67.5796 GPRESSAVG: 686000 40.925 -37.1509 4.02155 -35.118 16.2454 -16.6607 0.563512 -17.2198 -68.8277 TIMING: 686000 CPU: 1985.39, 0.00291009/step Wall: 1985.39, 0.00291009/step, 3.48725 hours remaining, 207.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 686000 718.8625 2085.6183 1940.3366 128.3632 -206451.0505 17943.3314 0.0000 0.0000 34415.0944 -149219.4442 300.5556 -183634.5386 -149118.4514 299.2360 108.4565 143.3073 557528.0790 -3.7549 -3.8858 PRESSURE: 686200 -94.279 221.274 -156.264 221.274 34.7751 -28.4766 -156.265 -28.4787 -399.758 GPRESSURE: 686200 -57.4733 203.404 -147.897 214.659 26.8873 63.9739 -196.165 -154.746 -330.469 PRESSAVG: 686200 -21.1483 14.1829 -19.7495 14.1828 84.6023 3.66235 -19.7496 3.66242 -47.8465 GPRESSAVG: 686200 -20.5446 13.5311 -19.8492 13.8414 84.382 4.34483 -17.9912 3.0281 -48.3907 TIMING: 686200 CPU: 1985.97, 0.0029101/step Wall: 1985.97, 0.0029101/step, 3.48711 hours remaining, 207.746094 MB of memory in use. ENERGY: 686200 762.5787 2039.8024 1942.2783 108.7557 -206043.4705 17604.8228 0.0000 0.0000 34458.4187 -149126.8138 300.9339 -183585.2326 -149018.2902 299.4335 -153.0874 -120.3515 557725.4719 5.2025 5.1489 PRESSURE: 686400 13.868 63.702 -92.7931 63.7035 -196.963 61.1172 -92.793 61.115 -137.626 GPRESSURE: 686400 65.3628 78.1696 -100.698 92.7713 -151.873 -0.880652 -173.281 123.802 -129.645 PRESSAVG: 686400 -15.7057 4.39049 -4.65827 4.39044 18.359 -30.5298 -4.65832 -30.5299 -17.3289 GPRESSAVG: 686400 -16.9593 7.85479 -3.79489 3.00979 19.1222 -32.171 -7.53654 -29.2944 -16.7909 TIMING: 686400 CPU: 1986.55, 0.00289348/step Wall: 1986.55, 0.00289348/step, 3.46704 hours remaining, 207.746094 MB of memory in use. ENERGY: 686400 761.8584 2073.5575 1928.7597 116.2413 -205755.6254 17512.4731 0.0000 0.0000 34276.1019 -149086.6336 299.3417 -183362.7355 -148995.7299 299.3660 -106.9068 -72.0515 556549.9781 -4.8919 -4.8760 PRESSURE: 686600 34.697 -115.297 -61.3369 -115.296 76.4392 -51.0649 -61.3358 -51.0642 -22.253 GPRESSURE: 686600 48.6178 -81.6976 -17.518 -179.522 109.023 80.4468 -70.8176 -70.9076 34.3101 PRESSAVG: 686600 19.9502 -34.1421 3.70032 -34.1421 11.1554 3.62399 3.70031 3.62403 4.23183 GPRESSAVG: 686600 18.5944 -37.1247 2.72868 -33.1721 11.6375 4.83142 6.38099 5.19787 5.10245 TIMING: 686600 CPU: 1987.13, 0.0029093/step Wall: 1987.13, 0.0029093/step, 3.48582 hours remaining, 207.746094 MB of memory in use. ENERGY: 686600 723.5511 2027.5206 1926.0031 109.5968 -206102.3175 17888.5694 0.0000 0.0000 34408.0327 -149019.0438 300.4939 -183427.0766 -148923.9073 299.3286 29.6277 63.9835 556294.7059 11.7791 11.7781 PRESSURE: 686800 -53.6187 15.1517 -91.5088 15.1525 -42.9222 41.1574 -91.5086 41.1557 -48.3437 GPRESSURE: 686800 7.19807 -41.5351 -37.446 101.983 -29.0233 9.23998 -93.7453 10.4282 -26.6565 PRESSAVG: 686800 44.8535 48.1825 -32.9114 48.1825 21.9365 -0.365373 -32.9114 -0.365408 -48.2387 GPRESSAVG: 686800 47.562 49.4749 -33.2528 47.5334 20.49 -0.922564 -32.1365 -0.75638 -49.6058 TIMING: 686800 CPU: 1987.71, 0.00289941/step Wall: 1987.71, 0.00289941/step, 3.47382 hours remaining, 207.746094 MB of memory in use. ENERGY: 686800 750.6829 2103.0638 1940.9721 108.1074 -205870.0353 17578.3234 0.0000 0.0000 34367.0217 -149021.8639 300.1357 -183388.8856 -148922.9712 300.3189 -48.2949 -16.1606 555587.8041 6.1838 6.1487 PRESSURE: 687000 -91.4336 -76.2819 -113.962 -76.2824 -105.444 73.3659 -113.963 73.3652 314.381 GPRESSURE: 687000 -99.7137 -40.0576 -91.4676 -57.5183 -52.5185 102.732 -169.276 7.97856 364.168 PRESSAVG: 687000 13.4304 7.20788 -36.7205 7.20785 -23.3486 11.24 -36.7205 11.24 -18.4446 GPRESSAVG: 687000 11.4947 8.13065 -39.4625 8.33418 -22.801 11.6358 -35.4982 10.5508 -17.2123 TIMING: 687000 CPU: 1988.29, 0.00288905/step Wall: 1988.29, 0.00288905/step, 3.46124 hours remaining, 207.746094 MB of memory in use. ENERGY: 687000 763.7833 2090.2284 1961.6208 111.5583 -205957.8510 17787.3438 0.0000 0.0000 34275.4238 -148967.8927 299.3358 -183243.3164 -148868.5231 300.5581 39.1676 70.6451 555760.5847 -9.4542 -9.5062 PRESSURE: 687200 -97.875 -20.4463 -47.2944 -20.4465 32.7863 208.673 -47.2937 208.671 -192.671 GPRESSURE: 687200 -102.907 -31.8828 -114.73 -36.6855 67.4873 204.294 -72.2565 299.727 -128.466 PRESSAVG: 687200 5.96688 -1.05021 -23.6574 -1.05021 3.79319 31.7658 -23.6574 31.7657 -5.29249 GPRESSAVG: 687200 7.29273 -2.52732 -19.8159 -0.215185 3.64616 29.9446 -25.5735 31.4228 -6.08881 TIMING: 687200 CPU: 1988.87, 0.00291228/step Wall: 1988.87, 0.00291229/step, 3.48892 hours remaining, 207.746094 MB of memory in use. ENERGY: 687200 754.6387 2104.1544 1935.9130 134.3760 -206107.1685 17734.1214 0.0000 0.0000 34396.3674 -149047.5977 300.3920 -183443.9651 -148955.1161 300.5648 -85.9199 -54.6287 557481.8121 1.4892 1.6167 PRESSURE: 687400 -195.836 92.1725 48.3233 92.1714 142.566 22.5534 48.323 22.5538 187.634 GPRESSURE: 687400 -146.52 19.9308 78.959 85.9921 204.137 -3.49842 -0.628916 -0.214869 185.947 PRESSAVG: 687400 43.7238 -32.0224 10.3441 -32.0225 6.01985 15.0758 10.344 15.0759 -18.988 GPRESSAVG: 687400 42.7109 -32.6997 6.35308 -31.9903 6.26245 16.2681 12.4292 15.8208 -18.0618 TIMING: 687400 CPU: 1989.46, 0.00291212/step Wall: 1989.46, 0.00291212/step, 3.48856 hours remaining, 207.746094 MB of memory in use. ENERGY: 687400 759.3246 2107.2873 1946.4866 109.4560 -205660.1141 17700.6315 0.0000 0.0000 34075.8484 -148961.0798 297.5929 -183036.9282 -148860.8206 299.8250 44.7878 81.1881 556692.0656 10.2519 10.3038 PRESSURE: 687600 183.702 114.424 -3.6478 114.424 196.03 -76.9141 -3.64848 -76.9137 185.22 GPRESSURE: 687600 233.772 44.9392 6.85161 117.955 262.951 -125.46 -9.12957 -44.348 174.11 PRESSAVG: 687600 -50.4342 -14.0836 -33.1675 -14.0835 29.6532 5.69721 -33.1674 5.6972 17.2799 GPRESSAVG: 687600 -49.312 -10.585 -32.3851 -16.0024 30.1425 6.45148 -32.5762 5.65255 15.9661 TIMING: 687600 CPU: 1990.04, 0.00291243/step Wall: 1990.04, 0.00291243/step, 3.48876 hours remaining, 207.746094 MB of memory in use. ENERGY: 687600 759.2948 2081.8544 1932.8446 127.3329 -205807.2521 17844.6956 0.0000 0.0000 34353.6383 -148707.5915 300.0189 -183061.2298 -148608.5591 301.0544 188.3174 223.6110 557145.6845 -1.1670 -1.0678 PRESSURE: 687800 65.9152 81.2815 -16.5787 81.2816 22.8036 -44.7836 -16.5791 -44.7833 -106.186 GPRESSURE: 687800 149.687 39.5081 32.8566 64.2928 56.6815 -18.5783 -70.921 -60.5596 -132.131 PRESSAVG: 687800 -39.1393 -11.035 -15.1262 -11.035 41.4265 -9.37332 -15.1262 -9.37326 2.08436 GPRESSAVG: 687800 -38.6784 -14.3259 -12.4743 -8.72901 39.7498 -8.07831 -17.4104 -10.9097 3.94173 TIMING: 687800 CPU: 1990.61, 0.00288291/step Wall: 1990.61, 0.00288291/step, 3.45324 hours remaining, 207.746094 MB of memory in use. ENERGY: 687800 774.2703 2104.5753 1938.0323 98.0846 -205979.7318 17695.9566 0.0000 0.0000 34541.6348 -148827.1779 301.6607 -183368.8126 -148731.2116 300.6869 -5.8223 24.7456 556744.8588 1.4572 1.6710 PRESSURE: 688000 -227.407 -174.405 -41.1789 -174.404 -272.647 13.0398 -41.1787 13.0407 -267.018 GPRESSURE: 688000 -202.536 -122.441 31.4005 -179.532 -216.276 23.8928 -97.9003 -64.7314 -256.832 PRESSAVG: 688000 -40.6879 11.2918 1.75523 11.2917 15.8583 4.41917 1.75519 4.41916 14.8846 GPRESSAVG: 688000 -41.8038 10.5043 0.159339 8.84755 18.6662 3.11089 4.40597 5.41561 13.1102 TIMING: 688000 CPU: 1991.19, 0.00288705/step Wall: 1991.19, 0.00288705/step, 3.45804 hours remaining, 207.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 688000 728.7433 2115.8793 1934.1383 107.0134 -205528.2818 17289.8886 0.0000 0.0000 34540.9269 -148811.6920 301.6545 -183352.6189 -148705.3560 301.3855 -255.6907 -225.2148 557400.7381 -3.3150 -3.3425 PRESSURE: 688200 -104.184 -63.2389 34.9734 -63.2393 -277.231 -169.119 34.9742 -169.12 -232.221 GPRESSURE: 688200 -73.0101 -102.683 115.159 5.65777 -253.416 -128.76 48.9139 -135.836 -177.209 PRESSAVG: 688200 15.1045 -9.56559 -7.43932 -9.56562 49.0618 -17.886 -7.43927 -17.8859 -40.4518 GPRESSAVG: 688200 15.8028 -8.58478 -5.42262 -8.27959 47.2414 -17.9933 -9.13615 -16.9223 -38.9957 TIMING: 688200 CPU: 1991.78, 0.00292473/step Wall: 1991.78, 0.00292473/step, 3.50302 hours remaining, 207.746094 MB of memory in use. ENERGY: 688200 750.3315 2106.9529 1948.9585 110.8976 -205702.2903 17508.9143 0.0000 0.0000 34601.5472 -148674.6882 302.1839 -183276.2354 -148569.1204 300.9386 -204.5453 -167.8785 558478.0551 7.9048 8.0161 LDB: ============= START OF LOAD BALANCING ============== 1995.16 LDB: ============== END OF LOAD BALANCING =============== 1995.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1995.17 LDB: ============= START OF LOAD BALANCING ============== 1995.46 LDB: Largest compute 4794 load 0.025800 is 21.9% of average load 0.117912 LDB: Average compute 0.001709 is 1.4% of average load 0.117912 LDB: TIME 1995.46 LOAD: AVG 0.117912 MAX 0.188816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1995.46 LOAD: AVG 0.117912 MAX 0.188816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: TIME 1995.46 LOAD: AVG 0.117912 MAX 0.188816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1995.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1995.47 PRESSURE: 688400 -15.2771 31.3811 -112.55 31.3813 55.3915 49.0963 -112.548 49.0962 229.384 GPRESSURE: 688400 36.3996 61.9965 -47.2879 7.15358 112.841 42.5448 -122.205 -13.5717 212.68 PRESSAVG: 688400 30.2263 8.38773 -44.9375 8.38773 18.2783 -3.55056 -44.9375 -3.55056 -29.6363 GPRESSAVG: 688400 29.462 8.46669 -45.2361 6.80823 18.4284 -5.59665 -42.86 -3.50372 -28.9453 TIMING: 688400 CPU: 1992.37, 0.00298869/step Wall: 1992.37, 0.00298869/step, 3.57946 hours remaining, 209.214844 MB of memory in use. ENERGY: 688400 747.2854 2049.0230 1949.0391 120.1805 -205680.6021 17642.0103 0.0000 0.0000 34425.6830 -148747.3808 300.6481 -183173.0638 -148654.0819 301.0433 89.8329 120.6402 556897.2926 6.2894 6.3150 PRESSURE: 688600 -39.6558 70.3206 -13.5719 70.3193 -289.768 -2.18384 -13.5727 -2.18303 -44.0565 GPRESSURE: 688600 -22.4542 100.247 27.7897 58.2173 -251.74 -1.95426 -90.4629 96.7645 -9.36545 PRESSAVG: 688600 -0.891018 7.43932 -44.2392 7.43935 19.7116 10.5422 -44.2391 10.5422 -34.8526 GPRESSAVG: 688600 -0.851654 6.90541 -43.6525 8.47536 20.1287 13.9404 -46.549 10.8936 -35.2397 TIMING: 688600 CPU: 1992.95, 0.00290295/step Wall: 1992.95, 0.00290295/step, 3.47661 hours remaining, 209.414062 MB of memory in use. ENERGY: 688600 725.0609 2105.0849 1971.4272 113.7336 -206188.3357 17635.6901 0.0000 0.0000 34666.6334 -148970.7056 302.7523 -183637.3390 -148867.7045 300.8438 -124.4933 -94.5199 556827.5877 -5.3440 -5.3209 PRESSURE: 688800 49.9785 125.058 -31.4219 125.056 105.952 140.698 -31.4234 140.696 248.645 GPRESSURE: 688800 102.474 57.7431 32.8866 18.2116 105.355 95.8105 -33.2892 57.8246 293.068 PRESSAVG: 688800 -6.31989 8.70265 -13.5163 8.7026 -49.8809 -2.8366 -13.5164 -2.83665 34.3028 GPRESSAVG: 688800 -7.20936 7.99661 -14.9667 7.77686 -49.2087 -4.33696 -12.4116 -3.67644 34.6699 TIMING: 688800 CPU: 1993.54, 0.00293419/step Wall: 1993.54, 0.00293419/step, 3.51386 hours remaining, 209.414062 MB of memory in use. ENERGY: 688800 765.8593 2097.6776 1970.8352 113.9152 -206190.2261 17921.3139 0.0000 0.0000 34293.9161 -149026.7087 299.4973 -183320.6248 -148928.4841 300.6833 134.8584 166.9658 558162.3501 -7.2993 -7.2494 PRESSURE: 689000 362.741 151.827 -361.447 151.827 44.1246 -189.006 -361.447 -189.007 -158.229 GPRESSURE: 689000 335.524 67.0098 -281.778 233.707 123.833 -204.063 -385.758 -196.401 -105.914 PRESSAVG: 689000 46.8547 7.48505 2.63796 7.485 71.9905 -48.677 2.63797 -48.6771 -87.7477 GPRESSAVG: 689000 47.8228 7.51942 4.02593 8.20595 72.8588 -48.0691 1.61146 -47.7545 -89.3669 TIMING: 689000 CPU: 1994.13, 0.00292059/step Wall: 1994.13, 0.00292059/step, 3.49741 hours remaining, 209.414062 MB of memory in use. ENERGY: 689000 751.9590 2112.5353 1954.1841 109.4453 -206007.3367 17811.8479 0.0000 0.0000 34212.3597 -149055.0055 298.7850 -183267.3651 -148968.1207 299.8685 82.8791 117.8143 557570.4031 10.3658 10.4382 PRESSURE: 689200 -197.847 -51.1115 16.8651 -51.1118 48.3313 90.3049 16.8652 90.3051 57.8399 GPRESSURE: 689200 -130.127 -80.7657 30.3487 -27.0819 53.4823 58.0848 -52.7187 53.9916 91.5666 PRESSAVG: 689200 47.5876 58.068 -8.96713 58.068 11.1077 8.44894 -8.96708 8.44889 -39.0842 GPRESSAVG: 689200 48.0293 58.8188 -9.92167 56.48 9.61654 9.66624 -7.59119 7.9278 -38.022 TIMING: 689200 CPU: 1994.71, 0.00292806/step Wall: 1994.71, 0.00292806/step, 3.50619 hours remaining, 209.414062 MB of memory in use. ENERGY: 689200 756.6174 2092.4386 1946.9934 108.9558 -206177.5678 17856.1336 0.0000 0.0000 34349.6154 -149066.8136 299.9837 -183416.4290 -148978.4617 299.7284 -30.5588 4.9740 557234.7577 6.5370 6.5413 PRESSURE: 689400 -29.7194 -5.17655 -4.75367 -5.17711 -63.8669 37.6194 -4.7541 37.6196 -78.1846 GPRESSURE: 689400 34.5139 13.8066 30.5132 -37.739 -66.0994 8.15302 -41.8952 86.7394 -35.3736 PRESSAVG: 689400 -10.4908 22.1001 10.9343 22.1001 6.71129 50.349 10.9343 50.3491 25.1371 GPRESSAVG: 689400 -11.3621 22.9378 9.66202 23.2988 7.25371 50.8022 10.9975 48.8402 25.3953 TIMING: 689400 CPU: 1995.29, 0.00290488/step Wall: 1995.29, 0.00290488/step, 3.47827 hours remaining, 209.414062 MB of memory in use. ENERGY: 689400 735.2641 2099.7132 1932.2235 109.8638 -206221.1797 17805.5173 0.0000 0.0000 34289.5916 -149249.0061 299.4595 -183538.5978 -149151.9990 300.1728 -57.2570 -22.3197 558235.6222 7.1192 7.0956 PRESSURE: 689600 -3.28857 23.3649 -70.447 23.3651 101.206 5.97054 -70.448 5.97093 44.7339 GPRESSURE: 689600 -12.0737 -65.9314 -90.7355 142.798 163.986 38.7778 -78.3091 -4.57772 69.9694 PRESSAVG: 689600 7.59789 -43.2794 -9.42205 -43.2795 -50.1966 -6.40147 -9.42207 -6.4014 12.1919 GPRESSAVG: 689600 7.40486 -44.5119 -7.53507 -42.9515 -50.0609 -8.3072 -9.82395 -5.5424 11.6345 TIMING: 689600 CPU: 1995.88, 0.00291332/step Wall: 1995.88, 0.00291332/step, 3.48822 hours remaining, 209.414062 MB of memory in use. ENERGY: 689600 728.5895 2053.6880 1931.0526 110.4109 -206117.8355 17895.2069 0.0000 0.0000 34274.2080 -149124.6797 299.3252 -183398.8877 -149027.4972 300.0938 47.5503 73.9605 560133.0478 -10.1356 -10.3405 PRESSURE: 689800 19.6574 59.364 17.5026 59.3633 -43.1245 43.0126 17.5012 43.0126 119.958 GPRESSURE: 689800 61.3634 62.8334 -35.7584 18.4691 -1.56147 34.2338 76.2547 33.1619 124.994 PRESSAVG: 689800 -36.0089 -31.9964 62.3919 -31.9963 -14.6027 -4.30554 62.3919 -4.30545 25.8836 GPRESSAVG: 689800 -35.3076 -30.3177 62.9151 -33.2574 -14.4113 -4.33251 61.4295 -1.51671 24.54 TIMING: 689800 CPU: 1996.45, 0.00289378/step Wall: 1996.45, 0.00289378/step, 3.46466 hours remaining, 209.414062 MB of memory in use. ENERGY: 689800 721.1835 2063.1620 1949.3437 105.6767 -206331.5821 17853.2934 0.0000 0.0000 34392.5831 -149246.3398 300.3590 -183638.9229 -149154.6892 299.6778 32.1636 61.5986 558920.6706 -8.2427 -8.3930 PRESSURE: 690000 -136.607 72.3822 46.9726 72.382 101.936 11.7175 46.9715 11.7158 -232.672 GPRESSURE: 690000 -74.5435 37.0862 120.714 17.5336 150.297 -45.2363 47.709 -17.9317 -250.388 PRESSAVG: 690000 19.1245 -29.5609 5.32714 -29.5609 11.1108 5.57897 5.32719 5.57897 -35.1678 GPRESSAVG: 690000 18.7472 -31.8376 5.39424 -28.1613 10.9347 4.112 6.62011 1.97976 -33.6772 TIMING: 690000 CPU: 1997.04, 0.00290796/step Wall: 1997.04, 0.00290796/step, 3.48148 hours remaining, 209.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 690000 758.3558 2102.3732 1940.4095 110.0799 -206305.0559 17861.4493 0.0000 0.0000 34379.3170 -149153.0711 300.2431 -183532.3881 -149056.7037 300.1720 -89.1143 -58.2116 558092.0547 -1.6441 -1.3318 PRESSURE: 690200 -23.0097 -26.0479 93.2002 -26.0481 94.6272 -37.92 93.2 -37.9216 90.2003 GPRESSURE: 690200 31.1794 -101.699 109.562 17.5989 84.1561 -35.7672 25.0393 -21.4789 140.082 PRESSAVG: 690200 -71.3748 -54.2642 -5.39766 -54.2641 -19.4528 13.8794 -5.39773 13.8793 69.0282 GPRESSAVG: 690200 -71.128 -53.2197 -6.29082 -55.7368 -19.3263 14.2368 -5.66199 15.7425 68.6483 TIMING: 690200 CPU: 1997.62, 0.00291666/step Wall: 1997.62, 0.00291666/step, 3.49172 hours remaining, 209.414062 MB of memory in use. ENERGY: 690200 713.0965 2094.6206 1934.3429 114.3660 -206454.0967 18018.2806 0.0000 0.0000 34378.1569 -149201.2331 300.2330 -183579.3900 -149097.2336 299.6839 53.9393 85.1391 558739.3354 -7.2665 -7.2686 PRESSURE: 690400 23.6264 -26.0403 -95.164 -26.0402 28.4282 299.473 -95.1648 299.474 30.864 GPRESSURE: 690400 35.6788 31.9849 -58.7725 -37.8879 69.7184 298.75 -116.211 271.907 81.306 PRESSAVG: 690400 23.3149 -0.523975 2.06496 -0.523953 -51.9333 76.5441 2.06498 76.544 18.1598 GPRESSAVG: 690400 24.9697 -1.0899 1.49744 0.823739 -52.4388 78.0363 1.92128 76.3284 17.3762 TIMING: 690400 CPU: 1998.2, 0.00291281/step Wall: 1998.2, 0.00291281/step, 3.48696 hours remaining, 209.414062 MB of memory in use. ENERGY: 690400 718.2776 2118.6190 1930.9410 109.8160 -206506.6296 17970.8959 0.0000 0.0000 34449.4533 -149208.6270 300.8556 -183658.0802 -149118.9656 298.8776 27.6395 62.2344 558608.6526 -3.4862 -3.3643 PRESSURE: 690600 -120.708 -68.853 25.2626 -68.8537 -95.3863 -164.631 25.2634 -164.631 17.1837 GPRESSURE: 690600 -48.3188 -84.3097 39.8141 -8.0764 -62.2518 -197.192 47.0018 -151.751 4.10093 PRESSAVG: 690600 -25.4927 -3.05136 7.804 -3.05135 1.43216 46.2833 7.80409 46.2832 -13.9743 GPRESSAVG: 690600 -26.3944 -2.56391 8.27661 -2.68521 1.28877 45.9649 7.51768 46.0316 -13.0009 TIMING: 690600 CPU: 1998.78, 0.00291175/step Wall: 1998.78, 0.00291175/step, 3.48553 hours remaining, 209.414062 MB of memory in use. ENERGY: 690600 744.8254 2061.1220 1928.1286 113.6331 -206370.1267 17932.2104 0.0000 0.0000 34115.2293 -149474.9779 297.9368 -183590.2072 -149380.0893 298.7041 -66.3036 -35.4899 558331.9399 -12.6783 -12.7022 PRESSURE: 690800 25.6129 208.065 20.538 208.065 54.5992 89.8434 20.5373 89.8447 11.0614 GPRESSURE: 690800 40.2255 151.881 62.2819 205.698 70.9239 101.859 -12.5635 -9.23533 74.3433 PRESSAVG: 690800 -20.3702 41.1528 -19.286 41.1528 -17.5572 -3.80644 -19.286 -3.80644 61.5876 GPRESSAVG: 690800 -21.9853 41.3623 -19.4761 40.7929 -16.2151 -3.66978 -18.5119 -2.33977 61.7415 TIMING: 690800 CPU: 1999.37, 0.00291747/step Wall: 1999.37, 0.00291747/step, 3.49221 hours remaining, 209.414062 MB of memory in use. ENERGY: 690800 754.8467 2099.2035 1956.3776 116.6635 -206562.8488 17906.0977 0.0000 0.0000 34104.9486 -149624.7111 297.8470 -183729.6598 -149522.6738 298.8169 30.4245 61.8309 557549.5224 7.8867 7.8470 PRESSURE: 691000 -252.04 -46.77 -71.2981 -46.7703 -21.4103 -37.4205 -71.2978 -37.4219 -128.732 GPRESSURE: 691000 -251.57 -59.5172 -37.5621 16.06 15.844 -82.6927 -74.8517 -55.9507 -71.3328 PRESSAVG: 691000 4.45048 4.64705 -39.5994 4.64712 43.2642 39.6926 -39.5994 39.6926 -5.48009 GPRESSAVG: 691000 5.9735 2.63381 -39.2205 5.82114 41.2057 40.7727 -40.9781 38.1651 -4.7632 TIMING: 691000 CPU: 1999.95, 0.00290525/step Wall: 1999.95, 0.00290525/step, 3.47742 hours remaining, 209.414062 MB of memory in use. ENERGY: 691000 752.0973 2161.8780 1935.1582 119.9530 -206512.7751 17732.8312 0.0000 0.0000 33937.8761 -149872.9812 296.3879 -183810.8573 -149786.0050 297.9466 -134.0608 -102.3529 557610.4409 14.0782 14.1387 PRESSURE: 691200 -61.6167 -64.7841 -75.9161 -64.7832 434.368 -215.294 -75.9161 -215.295 -179.234 GPRESSURE: 691200 14.4763 -13.26 -134.841 -53.2162 451.112 -133.605 -2.78547 -226.548 -185.226 PRESSAVG: 691200 30.3876 0.952609 -40.2274 0.952563 44.1249 -26.0498 -40.2274 -26.0499 -70.5487 GPRESSAVG: 691200 29.5925 1.73587 -40.7836 0.604629 45.8091 -26.3304 -39.434 -27.2418 -71.0846 TIMING: 691200 CPU: 2000.53, 0.00289405/step Wall: 2000.53, 0.00289405/step, 3.46385 hours remaining, 209.414062 MB of memory in use. ENERGY: 691200 737.7313 2081.9535 1919.6690 107.9773 -207261.4492 18141.6136 0.0000 0.0000 34430.7287 -149841.7759 300.6921 -184272.5045 -149743.5218 298.1172 64.5060 93.4541 556804.7037 1.3212 1.4390 PRESSURE: 691400 -22.6832 -3.28326 154.868 -3.28436 -387.739 -200.793 154.869 -200.791 -362.992 GPRESSURE: 691400 -46.1045 8.90847 164.85 -80.5635 -326.094 -203.876 145.332 -145.696 -306.081 PRESSAVG: 691400 30.9902 0.0848968 8.29614 0.0848926 27.118 -3.11491 8.29619 -3.11491 -38.6147 GPRESSAVG: 691400 30.8867 -0.0452639 7.85379 -1.10148 26.5952 -1.91678 7.85143 -2.19942 -38.5063 TIMING: 691400 CPU: 2001.1, 0.00287726/step Wall: 2001.1, 0.00287726/step, 3.44361 hours remaining, 209.414062 MB of memory in use. ENERGY: 691400 749.1774 2055.3149 1971.4678 112.7855 -206453.6029 17626.8901 0.0000 0.0000 34109.0406 -149828.9267 297.8827 -183937.9673 -149730.0290 297.8116 -257.8046 -226.0930 557915.3352 6.4978 6.3252 PRESSURE: 691600 -357.398 -25.8982 -67.0448 -25.8986 -125.043 -26.8964 -67.0443 -26.8957 -232.857 GPRESSURE: 691600 -319.196 12.5819 -86.8242 -56.7873 -40.2366 -1.86265 -87.1816 9.28741 -263.141 PRESSAVG: 691600 43.4218 -5.98108 -12.531 -5.98107 -26.4129 4.30079 -12.531 4.30081 2.59346 GPRESSAVG: 691600 44.5674 -3.46835 -10.2113 -6.50464 -26.6665 2.85413 -12.7184 3.92709 2.00914 TIMING: 691600 CPU: 2001.68, 0.00288137/step Wall: 2001.68, 0.00288137/step, 3.44836 hours remaining, 209.414062 MB of memory in use. ENERGY: 691600 752.0951 2102.9853 1924.5205 113.8558 -206486.8407 17758.8896 0.0000 0.0000 34255.4507 -149579.0437 299.1614 -183834.4944 -149486.3708 298.1713 -238.4327 -207.5247 558453.3309 6.5341 6.6367 PRESSURE: 691800 -150.575 101.669 26.4558 101.669 133.474 -32.1784 26.4575 -32.1773 -158.446 GPRESSURE: 691800 -138.538 128.652 -12.331 90.6473 180.481 -128.475 22.7762 -17.5771 -130.272 PRESSAVG: 691800 -18.5735 2.61648 -43.9273 2.61651 21.6222 -12.2899 -43.9273 -12.2899 -45.3259 GPRESSAVG: 691800 -20.5201 2.55713 -45.7265 1.85178 24.1638 -12.5682 -45.2433 -11.5136 -45.9476 TIMING: 691800 CPU: 2002.26, 0.00288393/step Wall: 2002.26, 0.00288393/step, 3.45126 hours remaining, 209.414062 MB of memory in use. ENERGY: 691800 761.4053 2070.1205 1959.0943 118.2287 -206443.3500 17939.6132 0.0000 0.0000 34036.3099 -149558.5782 297.2476 -183594.8881 -149460.3161 298.6094 -58.5156 -29.4428 559297.5032 -14.0924 -14.1013 PRESSURE: 692000 -167.605 28.4812 -247.319 28.4806 -226.637 102.089 -247.318 102.089 -162.499 GPRESSURE: 692000 -199.727 0.605487 -264.755 67.0613 -178.23 113.111 -216.008 51.1045 -82.506 PRESSAVG: 692000 -26.3509 -8.19331 -21.923 -8.19343 63.4071 -42.0944 -21.923 -42.0945 -26.2872 GPRESSAVG: 692000 -25.8538 -12.4691 -23.2166 -6.78187 61.2024 -42.201 -21.3804 -41.6529 -24.6003 TIMING: 692000 CPU: 2002.83, 0.00288566/step Wall: 2002.83, 0.00288566/step, 3.45317 hours remaining, 209.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 692000 774.6430 2186.2598 1954.3692 115.8765 -206749.5777 17856.2958 0.0000 0.0000 34284.0425 -149578.0908 299.4111 -183862.1333 -149483.8722 298.7424 -185.5805 -153.4879 559045.4975 3.5897 3.5828 PRESSURE: 692200 -183.052 -34.388 -48.6108 -34.3887 -99.004 203.099 -48.6117 203.1 20.2581 GPRESSURE: 692200 -159.351 -108.139 -74.8357 17.2092 -58.8814 169.372 11.9653 173.749 50.8077 PRESSAVG: 692200 3.93324 -24.9638 35.6007 -24.9638 -16.9301 20.3006 35.6007 20.3007 3.32632 GPRESSAVG: 692200 4.09361 -22.7535 33.9723 -26.6783 -16.6158 19.6996 36.9243 19.6724 2.50769 TIMING: 692200 CPU: 2003.41, 0.00287986/step Wall: 2003.41, 0.00287986/step, 3.44607 hours remaining, 209.414062 MB of memory in use. ENERGY: 692200 741.7920 2091.2350 1965.6470 111.9388 -206722.3684 17898.4892 0.0000 0.0000 34309.2367 -149604.0296 299.6311 -183913.2663 -149498.9820 298.5693 -87.2661 -55.8081 557957.1556 -3.2235 -3.3382 LDB: ============= START OF LOAD BALANCING ============== 2006.79 LDB: ============== END OF LOAD BALANCING =============== 2006.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2006.8 LDB: ============= START OF LOAD BALANCING ============== 2007.08 LDB: Largest compute 4820 load 0.027114 is 23.0% of average load 0.117838 LDB: Average compute 0.001713 is 1.5% of average load 0.117838 LDB: TIME 2007.09 LOAD: AVG 0.117838 MAX 0.183365 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 2007.09 LOAD: AVG 0.117838 MAX 0.183365 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: TIME 2007.09 LOAD: AVG 0.117838 MAX 0.183365 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: ============== END OF LOAD BALANCING =============== 2007.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2007.09 PRESSURE: 692400 -313.977 -29.2835 11.5748 -29.2832 -309.38 -43.9038 11.5757 -43.904 -166.824 GPRESSURE: 692400 -261.904 -32.164 129.657 -26.159 -264.632 -20.3672 -82.6493 -19.0777 -171.799 PRESSAVG: 692400 -36.2373 12.104 -67.8044 12.1039 4.97204 -17.8885 -67.8044 -17.8884 24.5552 GPRESSAVG: 692400 -37.6753 13.0451 -65.7968 13.7834 5.79259 -17.3056 -69.6128 -17.8153 24.6461 TIMING: 692400 CPU: 2004, 0.00294112/step Wall: 2004, 0.00294112/step, 3.51921 hours remaining, 205.675781 MB of memory in use. ENERGY: 692400 740.4856 2043.1583 1927.0299 130.3902 -206230.4209 17564.1548 0.0000 0.0000 34322.9875 -149502.2147 299.7512 -183825.2021 -149407.1228 298.8074 -263.3935 -232.7785 558978.8572 -2.2367 -2.4122 PRESSURE: 692600 -451.437 -92.0812 -175.089 -92.0812 -329.944 -10.0066 -175.089 -10.0062 -145.403 GPRESSURE: 692600 -352.467 -3.15949 -150.533 -118.152 -290.482 41.0737 -118.466 -44.4338 -189.246 PRESSAVG: 692600 36.0139 27.462 -25.2206 27.4619 34.0411 31.5513 -25.2205 31.5514 -22.0182 GPRESSAVG: 692600 36.8644 29.0914 -25.5875 25.2064 33.5332 33.452 -22.8304 32.0916 -21.9606 TIMING: 692600 CPU: 2004.58, 0.00291024/step Wall: 2004.58, 0.00291024/step, 3.4821 hours remaining, 205.878906 MB of memory in use. ENERGY: 692600 757.5613 2139.8796 1946.0734 115.3522 -205946.4590 17287.0247 0.0000 0.0000 34296.1572 -149404.4104 299.5169 -183700.5677 -149306.7088 299.0563 -308.9280 -277.3981 559185.0113 16.0123 16.1457 PRESSURE: 692800 -88.3686 -105.964 -73.848 -105.964 -242.655 92.2739 -73.8468 92.274 -114.24 GPRESSURE: 692800 -86.3923 -37.924 -75.1222 -171.068 -166.523 9.98025 -68.0617 70.855 -97.5989 PRESSAVG: 692800 39.1192 -6.12886 -39.5858 -6.12886 -6.11772 21.4771 -39.5858 21.4771 -6.94727 GPRESSAVG: 692800 39.7143 -7.47049 -39.6052 -3.18971 -6.20787 20.9554 -39.7341 21.8951 -7.59748 TIMING: 692800 CPU: 2005.16, 0.00291152/step Wall: 2005.16, 0.00291152/step, 3.48347 hours remaining, 205.878906 MB of memory in use. ENERGY: 692800 768.8024 2105.3725 1931.1999 111.1842 -205822.1036 17429.9913 0.0000 0.0000 34070.5978 -149404.9554 297.5470 -183475.5532 -149312.4070 298.7643 -148.4212 -116.8382 557897.8949 8.6847 8.6363 PRESSURE: 693000 -10.0829 96.1907 -31.7937 96.1912 -399.728 56.5488 -31.7933 56.5495 -116.413 GPRESSURE: 693000 0.993339 16.9694 -58.1344 136.67 -393.571 45.0808 -74.5627 42.5128 -40.6417 PRESSAVG: 693000 42.7146 19.6992 -14.4852 19.6993 -53.6615 17.9792 -14.4852 17.9794 17.9946 GPRESSAVG: 693000 41.8132 18.0532 -14.8455 19.0563 -54.5269 16.3073 -13.8848 19.0319 19.3744 TIMING: 693000 CPU: 2005.75, 0.00292466/step Wall: 2005.75, 0.00292466/step, 3.49903 hours remaining, 205.878906 MB of memory in use. ENERGY: 693000 767.3721 2077.2012 1948.8776 123.0133 -206024.2709 17431.7627 0.0000 0.0000 33920.4176 -149755.6263 296.2354 -183676.0439 -149654.8492 297.7411 -175.4079 -144.4063 557174.7156 2.3492 2.2202 PRESSURE: 693200 -179.721 -4.277 -215.72 -4.27715 -529.088 -88.5889 -215.72 -88.5893 -312.625 GPRESSURE: 693200 -148.823 70.0238 -156.389 26.6811 -464.629 -40.4933 -141.016 -158.83 -304.858 PRESSAVG: 693200 40.9716 46.4032 -8.77774 46.4033 -33.8177 2.11585 -8.77769 2.11579 -21.9837 GPRESSAVG: 693200 40.776 45.8941 -5.80666 46.2495 -33.2245 5.92146 -10.4437 -0.554393 -22.782 TIMING: 693200 CPU: 2006.32, 0.00288425/step Wall: 2006.32, 0.00288426/step, 3.45053 hours remaining, 205.878906 MB of memory in use. ENERGY: 693200 761.7895 2095.2781 1936.3876 99.5169 -206177.4115 17495.5866 0.0000 0.0000 34258.2074 -149530.6455 299.1854 -183788.8529 -149433.8321 298.4892 -340.4780 -306.1034 557962.6871 -4.9433 -5.0768 PRESSURE: 693400 -210.641 24.2094 -81.016 24.2084 -315.077 -52.613 -81.0154 -52.6123 17.3081 GPRESSURE: 693400 -191.775 29.4194 -116.208 -2.08111 -246.171 -16.3349 -14.6549 6.95473 15.9431 PRESSAVG: 693400 32.4493 -8.65803 58.235 -8.65803 -53.0089 12.3771 58.2351 12.377 69.0723 GPRESSAVG: 693400 31.5978 -8.32516 54.361 -6.18179 -52.9092 10.066 60.8592 14.0968 69.5862 TIMING: 693400 CPU: 2006.9, 0.00288244/step Wall: 2006.9, 0.00288244/step, 3.4482 hours remaining, 205.878906 MB of memory in use. ENERGY: 693400 765.7070 2096.8373 1926.5187 103.1901 -206207.3533 17779.3567 0.0000 0.0000 34179.2900 -149356.4535 298.4962 -183535.7435 -149258.8831 298.3728 -169.4700 -140.6676 558981.1230 16.1709 16.0916 PRESSURE: 693600 208.08 -175.878 -20.6098 -175.877 -66.3911 165.574 -20.6087 165.574 219.772 GPRESSURE: 693600 241.26 -165.995 -32.6965 -72.3241 -57.0955 150.906 -16.3303 144.588 277.815 PRESSAVG: 693600 -25.7508 -8.51774 -29.205 -8.51777 -20.6597 4.12791 -29.2051 4.12783 75.7296 GPRESSAVG: 693600 -24.9211 -7.19736 -28.6146 -8.5716 -21.1721 6.3405 -30.1097 3.31975 74.7017 TIMING: 693600 CPU: 2007.48, 0.00289303/step Wall: 2007.48, 0.00289303/step, 3.46071 hours remaining, 205.878906 MB of memory in use. ENERGY: 693600 757.3224 2111.2418 1953.0601 105.2212 -206843.9278 18105.7950 0.0000 0.0000 34370.0269 -149441.2605 300.1620 -183811.2874 -149349.6297 299.0622 120.4871 153.9929 555970.4351 9.7730 9.5362 PRESSURE: 693800 2.48568 43.0186 20.8212 43.0186 -0.640278 27.7941 20.8208 27.7957 -15.2257 GPRESSURE: 693800 23.2213 83.8706 -32.49 -6.32325 19.7266 -8.99283 -23.7289 -16.3858 50.0834 PRESSAVG: 693800 24.1484 -74.4235 37.3132 -74.4235 -16.8748 -13.0636 37.3131 -13.0636 8.7187 GPRESSAVG: 693800 22.8652 -74.1617 36.6108 -75.583 -16.1198 -14.7985 37.9039 -13.3997 9.30663 TIMING: 693800 CPU: 2008.05, 0.00287818/step Wall: 2008.05, 0.00287818/step, 3.44279 hours remaining, 205.878906 MB of memory in use. ENERGY: 693800 729.9370 2133.6673 1917.5038 105.4875 -206347.7774 17902.7337 0.0000 0.0000 34186.0321 -149372.4159 298.5551 -183558.4480 -149278.7271 298.9071 -4.4601 31.0104 556939.1507 5.3308 5.3507 PRESSURE: 694000 -293.031 -203.453 52.8698 -203.452 170.438 -123.99 52.8715 -123.991 -41.907 GPRESSURE: 694000 -317.146 -182.219 104.503 -236.063 229.358 -34.3767 18.7533 -148.157 16.4993 PRESSAVG: 694000 -29.9961 -42.6187 -25.7069 -42.6187 16.3122 -9.7134 -25.7069 -9.71344 27.8843 GPRESSAVG: 694000 -28.8819 -42.9789 -25.358 -43.7261 15.2917 -10.0789 -26.2243 -9.50311 27.1016 TIMING: 694000 CPU: 2008.63, 0.00289981/step Wall: 2008.63, 0.00289981/step, 3.4685 hours remaining, 205.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 694000 758.9601 2043.9173 1947.0934 112.0452 -206099.9416 17590.2517 0.0000 0.0000 34253.0649 -149394.6090 299.1405 -183647.6739 -149295.8651 298.3781 -54.8332 -23.7628 556853.0816 4.7334 4.5038 PRESSURE: 694200 22.6264 -73.7515 -36.8695 -73.7513 85.9272 -53.7323 -36.87 -53.7337 271.553 GPRESSURE: 694200 53.4558 14.3255 -107.178 -138.322 70.2249 -20.1505 34.7791 -45.9093 344.873 PRESSAVG: 694200 -3.15495 -55.63 -88.4084 -55.63 53.2254 -41.7877 -88.4083 -41.7877 -26.39 GPRESSAVG: 694200 -2.98883 -53.7693 -86.5935 -56.2014 52.4841 -43.0354 -89.0248 -42.6953 -25.3531 TIMING: 694200 CPU: 2009.21, 0.00290351/step Wall: 2009.21, 0.00290351/step, 3.47276 hours remaining, 205.878906 MB of memory in use. ENERGY: 694200 727.9406 2089.5902 1925.4231 104.2662 -206204.3079 17882.6589 0.0000 0.0000 34082.5066 -149391.9223 297.6510 -183474.4289 -149299.0689 298.7554 126.7024 156.1844 556306.3438 7.8935 8.0474 PRESSURE: 694400 47.5856 -182.502 15.4151 -182.502 -289.857 16.9356 15.4152 16.9362 143.989 GPRESSURE: 694400 88.6292 -204.432 -68.6114 -113.011 -232.133 -33.614 72.2542 86.4038 122.196 PRESSAVG: 694400 -17.5583 -22.3842 -0.352164 -22.3842 -28.7847 -21.4699 -0.352133 -21.4699 69.3707 GPRESSAVG: 694400 -18.3273 -21.68 -1.23323 -21.5584 -26.733 -18.8711 -0.92828 -18.4841 67.4308 TIMING: 694400 CPU: 2009.79, 0.00289872/step Wall: 2009.79, 0.00289872/step, 3.46687 hours remaining, 205.878906 MB of memory in use. ENERGY: 694400 751.9012 2085.0526 1936.6407 111.9260 -206469.5821 17963.6096 0.0000 0.0000 34238.4445 -149382.0074 299.0129 -183620.4520 -149294.5238 297.9989 -32.7608 -7.1026 558208.7549 7.6759 7.4568 PRESSURE: 694600 80.6867 -49.2638 155.604 -49.2637 -85.9909 -92.4056 155.604 -92.4072 -97.1765 GPRESSURE: 694600 159.27 -45.62 173.928 -39.0826 -65.5864 -143.123 122.006 -150.232 -90.0027 PRESSAVG: 694600 63.9323 -54.9187 38.8294 -54.9188 -54.0399 36.3455 38.8294 36.3455 41.3713 GPRESSAVG: 694600 63.5907 -57.5408 39.0488 -53.9544 -53.8519 36.1858 39.7656 32.9043 42.0199 TIMING: 694600 CPU: 2010.37, 0.00288044/step Wall: 2010.37, 0.00288044/step, 3.44484 hours remaining, 205.878906 MB of memory in use. ENERGY: 694600 712.7862 2084.8760 1923.6822 111.3159 -205880.4750 17749.6489 0.0000 0.0000 34183.5514 -149114.6144 298.5335 -183298.1658 -149018.4340 298.6879 -34.1602 1.2269 558663.7046 17.0879 17.2529 PRESSURE: 694800 -195.634 49.7473 66.8732 49.7481 -109.215 -201.84 66.8726 -201.842 -59.4683 GPRESSURE: 694800 -166.616 32.1566 84.8708 80.4487 -89.0159 -115.071 31.5682 -206.529 -17.2913 PRESSAVG: 694800 72.1557 -24.0425 26.9057 -24.0425 -20.61 7.30653 26.9058 7.30647 -49.5275 GPRESSAVG: 694800 72.4855 -22.718 27.3226 -24.3109 -21.2674 8.70165 27.6332 9.37129 -49.2093 TIMING: 694800 CPU: 2010.95, 0.00290995/step Wall: 2010.95, 0.00290995/step, 3.47998 hours remaining, 206.082031 MB of memory in use. ENERGY: 694800 727.3259 2048.1290 1947.5993 117.7111 -205859.5909 17673.6600 0.0000 0.0000 34338.7192 -149006.4463 299.8886 -183345.1655 -148906.9261 298.7461 -121.4389 -90.9745 559869.8480 0.6727 0.6696 PRESSURE: 695000 -66.4808 -120.346 -139.693 -120.346 -177.73 73.9046 -139.692 73.905 16.2943 GPRESSURE: 695000 -25.6202 -148.185 -117.069 -108.896 -153.81 44.6822 -93.3884 62.7918 44.3806 PRESSAVG: 695000 16.6712 -16.324 -19.4364 -16.324 47.0245 -6.57923 -19.4364 -6.57918 -34.6034 GPRESSAVG: 695000 15.9213 -16.9035 -21.5104 -15.3455 46.8092 -8.6896 -19.3443 -5.61569 -33.98 TIMING: 695000 CPU: 2011.53, 0.0029064/step Wall: 2011.53, 0.0029064/step, 3.47558 hours remaining, 206.082031 MB of memory in use. ENERGY: 695000 757.5362 2070.1057 1917.8185 112.0475 -206054.7757 17685.7699 0.0000 0.0000 34641.6300 -148869.8680 302.5340 -183511.4980 -148768.5392 300.0145 -75.9721 -45.0164 557745.1142 9.6975 9.5835 PRESSURE: 695200 -196.572 -6.92981 -53.361 -6.92915 30.006 -63.217 -53.3617 -63.2166 -76.0596 GPRESSURE: 695200 -176.131 32.5382 -51.3197 -57.303 98.738 -46.0122 -75.9155 -27.8687 -73.1912 PRESSAVG: 695200 -12.4997 13.9391 -25.2849 13.939 39.4988 9.44114 -25.2849 9.44114 -35.6278 GPRESSAVG: 695200 -12.2952 13.2974 -23.3013 14.5569 40.0956 10.7105 -25.7668 8.34939 -35.8682 TIMING: 695200 CPU: 2012.11, 0.00288265/step Wall: 2012.11, 0.00288265/step, 3.44701 hours remaining, 206.082031 MB of memory in use. ENERGY: 695200 720.8850 2055.1460 1938.8565 116.9649 -205883.5007 17588.4336 0.0000 0.0000 34525.5006 -148937.7142 301.5198 -183463.2147 -148840.7492 300.3921 -80.8753 -50.1946 557510.1819 -2.8762 -2.6893 PRESSURE: 695400 -296.067 -83.4566 -127.139 -83.4569 -243.091 142.573 -127.138 142.574 -1.75933 GPRESSURE: 695400 -328.281 -118.54 -42.8604 -146.908 -184.731 158.665 -180.856 93.1926 71.6611 PRESSAVG: 695400 -43.2874 -16.4728 42.5538 -16.4729 -22.3372 -45.6895 42.5538 -45.6896 17.2136 GPRESSAVG: 695400 -41.3711 -17.1963 41.4326 -17.7814 -22.0189 -45.2454 40.999 -46.5486 14.8307 TIMING: 695400 CPU: 2012.69, 0.00288387/step Wall: 2012.69, 0.00288387/step, 3.44831 hours remaining, 206.082031 MB of memory in use. ENERGY: 695400 749.8428 2078.9244 1943.7328 99.4850 -205651.6695 17565.0248 0.0000 0.0000 34399.2373 -148815.4225 300.4171 -183214.6597 -148715.1394 299.9410 -180.3057 -147.1170 559700.0274 -16.1370 -16.1864 PRESSURE: 695600 -38.8804 -56.7192 -125.21 -56.7177 0.1634 -87.4267 -125.209 -87.4266 184.099 GPRESSURE: 695600 19.3662 10.0455 -144.049 -58.4091 8.07088 -23.527 -123.606 -169.625 217.61 PRESSAVG: 695600 -13.7316 -18.306 -22.4137 -18.3061 -61.0112 -10.8232 -22.4136 -10.8232 64.1425 GPRESSAVG: 695600 -15.2286 -18.7823 -21.2712 -17.5519 -60.3472 -13.8419 -20.8344 -10.4302 65.6419 TIMING: 695600 CPU: 2013.27, 0.00290876/step Wall: 2013.27, 0.00290876/step, 3.4779 hours remaining, 206.082031 MB of memory in use. ENERGY: 695600 754.2067 2064.6387 1948.9523 115.7563 -205796.5943 17848.1450 0.0000 0.0000 34173.0489 -148891.8464 298.4417 -183064.8952 -148798.7427 299.7869 48.4605 81.6825 558525.7974 -3.5334 -3.3113 PRESSURE: 695800 -154.762 -109.867 137.556 -109.866 -219.474 -64.9899 137.556 -64.9907 -154.648 GPRESSURE: 695800 -121.6 -135.948 91.7165 -43.4736 -191.311 -25.8924 197.31 -59.4876 -127.227 PRESSAVG: 695800 -17.1039 -38.4697 10.8653 -38.4697 1.56682 -56.1625 10.8653 -56.1625 29.8648 GPRESSAVG: 695800 -16.6589 -34.8361 9.35472 -41.8662 0.348685 -53.5062 11.9723 -55.4262 31.4603 TIMING: 695800 CPU: 2013.85, 0.00289892/step Wall: 2013.85, 0.00289892/step, 3.46599 hours remaining, 206.082031 MB of memory in use. ENERGY: 695800 725.6477 2102.1607 1928.8535 124.2745 -205808.1783 17624.0239 0.0000 0.0000 34361.9941 -148941.2240 300.0918 -183303.2181 -148841.9989 300.0915 -176.2947 -146.7127 559408.9944 4.7759 5.0500 PRESSURE: 696000 73.5785 83.0702 -30.7655 83.069 -70.1573 70.3095 -30.7657 70.3091 -101.758 GPRESSURE: 696000 46.3361 139.167 -50.2972 2.35426 -16.9669 57.983 20.3161 11.9058 -22.3783 PRESSAVG: 696000 -3.29247 12.516 -22.3516 12.516 -27.1955 -36.5659 -22.3514 -36.566 -3.0679 GPRESSAVG: 696000 -3.38345 9.2669 -22.6946 12.5309 -26.2547 -37.6588 -23.2016 -38.8046 -3.97655 TIMING: 696000 CPU: 2014.43, 0.00290403/step Wall: 2014.43, 0.00290403/step, 3.47193 hours remaining, 206.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 696000 733.6290 2105.8165 1933.8999 117.0824 -206036.1396 17692.3119 0.0000 0.0000 34309.4170 -149143.9830 299.6327 -183453.4000 -149041.7936 299.8656 -32.7790 2.3303 558048.5519 -11.1853 -11.2049 PRESSURE: 696200 -282.361 75.4472 -20.1684 75.4476 72.6645 -77.2627 -20.1683 -77.2621 -38.877 GPRESSURE: 696200 -187.844 112.11 -91.8394 25.8731 66.0773 44.6033 -5.41842 -65.6081 -21.7358 PRESSAVG: 696200 -32.0234 -24.8507 -17.7011 -24.8506 3.97814 -33.6781 -17.7011 -33.6782 50.2951 GPRESSAVG: 696200 -31.2925 -23.1073 -17.6355 -25.4435 4.10247 -32.9412 -17.7394 -31.1112 49.6254 TIMING: 696200 CPU: 2015.01, 0.00290685/step Wall: 2015.01, 0.00290685/step, 3.47514 hours remaining, 206.082031 MB of memory in use. ENERGY: 696200 744.7341 2067.0348 1961.2938 106.1633 -205918.9873 17689.1336 0.0000 0.0000 34179.3509 -149171.2768 298.4968 -183350.6277 -149075.4194 299.5599 -82.8578 -47.8342 558014.5322 7.4166 7.4784 LDB: ============= START OF LOAD BALANCING ============== 2018.4 LDB: ============== END OF LOAD BALANCING =============== 2018.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2018.4 LDB: ============= START OF LOAD BALANCING ============== 2018.7 LDB: Largest compute 4820 load 0.027159 is 23.0% of average load 0.117882 LDB: Average compute 0.001717 is 1.5% of average load 0.117882 LDB: TIME 2018.7 LOAD: AVG 0.117882 MAX 0.186956 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.867 MB LDB: TIME 2018.7 LOAD: AVG 0.117882 MAX 0.186956 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.867 MB LDB: TIME 2018.7 LOAD: AVG 0.117882 MAX 0.186956 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2018.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2018.71 PRESSURE: 696400 -3.95409 -71.3573 -24.4491 -71.3567 108.775 -80.4045 -24.4481 -80.4042 -17.7737 GPRESSURE: 696400 73.5769 -14.7602 -158.608 -65.3497 119.294 -61.8408 29.0285 -30.6765 3.39425 PRESSAVG: 696400 22.191 -12.1912 -4.60587 -12.1913 20.3704 -8.75888 -4.60584 -8.75899 -17.0503 GPRESSAVG: 696400 22.4355 -13.9577 -6.12772 -10.5164 18.7507 -8.02006 -4.32101 -10.5932 -15.5692 TIMING: 696400 CPU: 2015.61, 0.00300358/step Wall: 2015.61, 0.00300358/step, 3.59062 hours remaining, 206.648438 MB of memory in use. ENERGY: 696400 768.9079 2066.2129 1947.0944 116.0618 -205899.3696 17874.1086 0.0000 0.0000 34156.0629 -148970.9212 298.2934 -183126.9841 -148875.4282 299.2163 29.0158 65.4216 558167.6524 8.5037 8.5390 PRESSURE: 696600 -23.3853 -67.2609 33.155 -67.2622 2.50608 24.1265 33.1564 24.1264 -151.919 GPRESSURE: 696600 34.2787 -114.661 45.1465 -97.6984 43.1486 4.11822 70.1582 3.99325 -143.974 PRESSAVG: 696600 61.9232 -20.0135 -27.4692 -20.0134 39.3035 -18.7644 -27.4693 -18.7644 -78.3122 GPRESSAVG: 696600 61.1971 -18.4224 -26.1059 -18.3702 40.1244 -20.9932 -27.2933 -18.0041 -77.8559 TIMING: 696600 CPU: 2016.2, 0.00295018/step Wall: 2016.2, 0.00295018/step, 3.52661 hours remaining, 206.648438 MB of memory in use. ENERGY: 696600 711.1054 2100.5232 1914.1675 113.8343 -205797.9008 17694.3471 0.0000 0.0000 34192.0451 -149071.8781 298.6076 -183263.9233 -148979.6533 299.4672 -57.5993 -22.1822 557032.2723 7.6382 7.8219 PRESSURE: 696800 42.6681 94.3694 -62.2712 94.3692 -1.62094 211.735 -62.2731 211.734 -128.688 GPRESSURE: 696800 6.81693 61.7875 -108.41 106.984 71.251 199.966 -50.7895 180.892 -60.3954 PRESSAVG: 696800 21.9234 16.0484 -34.3374 16.0483 40.1634 26.3786 -34.3375 26.3786 -34.8486 GPRESSAVG: 696800 22.2124 16.6082 -34.2153 14.3485 40.8201 26.4714 -35.3208 27.5611 -35.5526 TIMING: 696800 CPU: 2016.79, 0.00293659/step Wall: 2016.79, 0.00293659/step, 3.5102 hours remaining, 206.648438 MB of memory in use. ENERGY: 696800 748.4775 2090.3869 1951.1509 110.6948 -205890.6565 17646.0016 0.0000 0.0000 34238.0064 -149105.9384 299.0090 -183343.9448 -148999.7466 299.9352 -29.2135 5.8908 557649.8435 9.0794 9.1600 PRESSURE: 697000 -72.2123 -35.4265 -167.45 -35.4259 -121.141 -85.5081 -167.45 -85.5084 -174.726 GPRESSURE: 697000 18.3428 -79.6375 -131.976 19.9945 -143.186 -109.796 -219.049 -126.628 -144.118 PRESSAVG: 697000 -48.3543 36.5653 1.7572 36.5654 44.3757 -31.3174 1.75735 -31.3175 -16.4373 GPRESSAVG: 697000 -48.2361 36.5087 3.98197 37.192 44.9697 -31.9785 2.48822 -31.6037 -17.1797 TIMING: 697000 CPU: 2017.37, 0.00288739/step Wall: 2017.37, 0.00288739/step, 3.45123 hours remaining, 206.648438 MB of memory in use. ENERGY: 697000 813.9938 2149.6776 1966.3676 101.4825 -206240.0306 17740.1767 0.0000 0.0000 34179.0600 -149289.2725 298.4942 -183468.3324 -149195.3451 299.5232 -122.6934 -89.6539 556715.4338 -6.8053 -6.8154 PRESSURE: 697200 169.896 72.1211 -53.8955 72.1204 -148.488 57.093 -53.894 57.0912 -160.133 GPRESSURE: 697200 276.39 100.764 -74.4791 94.6014 -115.107 91.4323 7.51912 152.119 -194.824 PRESSAVG: 697200 -31.5576 2.31821 22.1912 2.31814 16.3608 18.1329 22.1911 18.1329 -17.4693 GPRESSAVG: 697200 -32.7094 3.43512 21.0994 2.18663 16.475 21.4637 22.6617 15.2983 -16.8459 TIMING: 697200 CPU: 2017.94, 0.00288555/step Wall: 2017.94, 0.00288555/step, 3.44887 hours remaining, 206.648438 MB of memory in use. ENERGY: 697200 796.3644 2045.6325 1940.8950 119.4278 -206111.0568 17729.8447 0.0000 0.0000 34262.7556 -149216.1367 299.2252 -183478.8923 -149121.1160 299.4382 -46.2414 -11.1802 556610.5991 -10.8887 -11.0268 PRESSURE: 697400 10.1712 2.10944 -15.3666 2.10853 114.664 -123.093 -15.3662 -123.093 -41.6908 GPRESSURE: 697400 37.1478 -25.8897 36.734 38.3823 130.303 -185.667 -105.188 -28.7396 14.9061 PRESSAVG: 697400 -15.5825 2.16276 11.7555 2.16271 24.8782 -7.5624 11.7555 -7.56241 34.3055 GPRESSAVG: 697400 -14.8784 -0.279519 10.7737 3.79126 24.9207 -9.79351 11.1258 -5.44043 33.7134 TIMING: 697400 CPU: 2018.52, 0.00289733/step Wall: 2018.52, 0.00289733/step, 3.46279 hours remaining, 206.648438 MB of memory in use. ENERGY: 697400 750.5059 2076.5880 1887.1198 112.1533 -206450.6910 17900.3102 0.0000 0.0000 34434.8022 -149289.2116 300.7277 -183724.0138 -149196.6359 299.1049 27.7149 60.7855 556512.9026 14.5337 14.5852 PRESSURE: 697600 -135.781 -76.9801 -155.94 -76.9798 97.9075 34.0921 -155.94 34.0936 -132.364 GPRESSURE: 697600 -62.9684 -121.19 -118.419 -64.6045 99.0758 31.1783 -136.93 -32.3551 -109.332 PRESSAVG: 697600 22.313 -28.1259 16.6136 -28.126 3.71555 -29.5863 16.6136 -29.5863 -12.0029 GPRESSAVG: 697600 23.1533 -28.0105 15.9925 -29.6638 3.42889 -29.6755 16.5457 -30.3928 -12.8853 TIMING: 697600 CPU: 2019.1, 0.00289943/step Wall: 2019.1, 0.00289943/step, 3.46514 hours remaining, 206.648438 MB of memory in use. ENERGY: 697600 778.6590 2099.1401 1935.9519 111.5686 -206255.4706 17726.8110 0.0000 0.0000 34253.6962 -149349.6438 299.1460 -183603.3400 -149246.0212 299.4034 -56.7459 -24.4083 556368.0340 4.6752 4.5656 PRESSURE: 697800 10.4989 -47.136 240.758 -47.1361 -185.307 -25.6327 240.757 -25.6338 11.8448 GPRESSURE: 697800 60.253 -29.0312 264.074 -56.4933 -157.968 -50.7021 198.799 -32.053 26.5679 PRESSAVG: 697800 -7.56557 21.4341 14.549 21.4341 11.0717 -82.4229 14.5492 -82.423 -27.7503 GPRESSAVG: 697800 -6.6507 22.237 12.881 21.9938 10.4925 -82.9687 14.9568 -82.6368 -28.0204 TIMING: 697800 CPU: 2019.68, 0.00290719/step Wall: 2019.68, 0.00290719/step, 3.47426 hours remaining, 206.648438 MB of memory in use. ENERGY: 697800 776.3021 2062.7457 1934.5747 105.9223 -206333.1763 17779.1093 0.0000 0.0000 34546.5377 -149127.9845 301.7035 -183674.5222 -149021.9896 298.7997 -54.3211 -23.7156 556637.4053 -8.0814 -8.0595 PRESSURE: 698000 86.6585 -70.3465 126.741 -70.3479 84.7601 -154.019 126.741 -154.018 68.7695 GPRESSURE: 698000 137.906 43.5301 53.8623 -46.7451 90.9561 -120.659 86.0149 -8.92531 111.242 PRESSAVG: 698000 56.6969 -10.8143 -15.3981 -10.8143 -17.6084 -6.74514 -15.3981 -6.74516 -38.0963 GPRESSAVG: 698000 54.8714 -9.20038 -15.9593 -12.8395 -17.4563 -5.88491 -14.1239 -5.45342 -36.9398 TIMING: 698000 CPU: 2020.27, 0.00291623/step Wall: 2020.27, 0.00291623/step, 3.48489 hours remaining, 206.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 698000 742.0584 2130.1763 1966.1271 131.8700 -205947.0255 17722.4937 0.0000 0.0000 34124.3256 -149129.9744 298.0162 -183254.3000 -149033.9361 299.5878 80.0627 113.3680 556042.7301 0.3307 0.1584 PRESSURE: 698200 -254.226 -219.502 19.6784 -219.503 -151.74 -181.868 19.6785 -181.867 -406.941 GPRESSURE: 698200 -304.06 -173.556 86.4998 -195.443 -73.7526 -182.394 -102.188 -108.122 -341.343 PRESSAVG: 698200 28.1083 -30.28 50.4644 -30.2799 -38.2221 -31.5454 50.4644 -31.5454 14.6497 GPRESSAVG: 698200 28.8764 -33.6291 50.026 -26.9788 -37.7027 -31.9121 50.2823 -33.3274 14.334 TIMING: 698200 CPU: 2020.84, 0.00288798/step Wall: 2020.84, 0.00288798/step, 3.45097 hours remaining, 206.648438 MB of memory in use. ENERGY: 698200 736.0543 2072.0975 1937.2776 112.6173 -205513.9464 17351.0634 0.0000 0.0000 34209.9542 -149094.8821 298.7640 -183304.8363 -149002.2197 298.7348 -270.9691 -239.7185 558555.9230 1.5120 1.8359 PRESSURE: 698400 -304.562 -28.5983 -103.983 -28.5978 -241.804 87.1967 -103.982 87.1958 -266.401 GPRESSURE: 698400 -239.125 -42.6765 -104.312 -33.1822 -286.338 41.9222 -136.128 81.391 -205.97 PRESSAVG: 698400 9.13652 -8.92704 45.7688 -8.92705 -43.0687 -32.5951 45.7688 -32.5949 -7.95579 GPRESSAVG: 698400 9.31793 -8.49282 50.5776 -10.9385 -43.0453 -33.4445 44.7654 -32.3555 -8.00998 TIMING: 698400 CPU: 2021.42, 0.00288989/step Wall: 2021.42, 0.00288989/step, 3.4531 hours remaining, 206.648438 MB of memory in use. ENERGY: 698400 788.5211 2196.9231 1925.4706 119.9936 -205704.7129 17384.1864 0.0000 0.0000 34341.0929 -148948.5252 299.9093 -183289.6181 -148850.0681 299.2536 -270.9222 -243.8112 558747.0977 -13.9627 -13.9125 PRESSURE: 698600 -126.998 -182.943 97.7887 -182.942 26.5711 -230.065 97.7883 -230.063 308.448 GPRESSURE: 698600 -113.785 -221.998 100.579 -141.057 33.0606 -229.61 60.8115 -169.688 377.452 PRESSAVG: 698600 -22.6305 -13.1468 29.4009 -13.1469 -14.546 -45.6752 29.4008 -45.6753 57.1541 GPRESSAVG: 698600 -21.8146 -12.1961 25.6547 -12.661 -14.9958 -46.1205 29.9411 -44.3121 56.9746 TIMING: 698600 CPU: 2022, 0.00287463/step Wall: 2022, 0.00287463/step, 3.43471 hours remaining, 206.648438 MB of memory in use. ENERGY: 698600 744.7512 2106.3847 1959.9817 109.1218 -206201.0415 17836.9683 0.0000 0.0000 34448.5113 -148995.3225 300.8474 -183443.8338 -148901.0452 298.9427 69.3404 98.9092 557737.9112 6.6592 6.7214 PRESSURE: 698800 -29.1771 17.2824 35.7766 17.2819 -0.37164 158.062 35.7768 158.062 -288.94 GPRESSURE: 698800 23.2243 -57.3456 53.7057 52.3121 -26.1375 137.648 35.6554 188.663 -214.726 PRESSAVG: 698800 -13.5116 -41.5754 24.9192 -41.5754 -17.5484 -25.8224 24.9192 -25.8224 28.9008 GPRESSAVG: 698800 -14.4564 -40.9637 26.3572 -41.5473 -16.0016 -23.4506 25.7456 -27.3289 28.6625 TIMING: 698800 CPU: 2022.58, 0.00288955/step Wall: 2022.58, 0.00288955/step, 3.45237 hours remaining, 206.648438 MB of memory in use. ENERGY: 698800 744.0330 2103.6527 1960.6819 137.9720 -205613.1653 17639.8609 0.0000 0.0000 34069.0635 -148957.9013 297.5336 -183026.9648 -148858.6436 300.0424 -106.1629 -72.5463 558601.8880 -0.7197 -0.5985 PRESSURE: 699000 -122.616 8.38222 -92.28 8.38235 -255.74 69.3553 -92.2822 69.3559 -169.788 GPRESSURE: 699000 -44.6915 -5.17084 -85.0084 14.5176 -265.154 37.3208 -76.7873 50.8776 -145.316 PRESSAVG: 699000 -25.8303 -40.1365 -16.3508 -40.1365 -35.9022 -2.7573 -16.3509 -2.7573 59.9819 GPRESSAVG: 699000 -25.4945 -39.3548 -13.8731 -42.4009 -36.1248 -4.03302 -16.8644 -3.53039 60.4211 TIMING: 699000 CPU: 2023.16, 0.00292476/step Wall: 2023.16, 0.00292476/step, 3.49427 hours remaining, 206.648438 MB of memory in use. ENERGY: 699000 769.6811 2063.0561 1956.4090 114.9591 -205604.2577 17539.5456 0.0000 0.0000 34253.3662 -148907.2406 299.1432 -183160.6068 -148808.4281 299.9584 -182.7148 -151.7206 558852.3443 -0.5836 -0.3994 PRESSURE: 699200 130.456 98.4395 -66.0322 98.4397 -55.383 -124.636 -66.0322 -124.637 -44.2608 GPRESSURE: 699200 155.818 76.5181 -135.725 37.8373 -36.7682 -95.6899 -4.35245 -80.1385 -4.65249 PRESSAVG: 699200 -13.5568 1.82112 -25.1407 1.82119 -18.9035 -3.0708 -25.1407 -3.07083 10.5754 GPRESSAVG: 699200 -14.2884 0.878574 -27.5549 3.02043 -18.7616 -3.85487 -26.13 -2.65183 10.8278 TIMING: 699200 CPU: 2023.75, 0.00292819/step Wall: 2023.75, 0.00292819/step, 3.49821 hours remaining, 206.648438 MB of memory in use. ENERGY: 699200 737.7364 2129.3665 1975.2740 113.3019 -206154.6035 17833.3321 0.0000 0.0000 34327.7951 -149037.7974 299.7932 -183365.5925 -148931.0176 300.3930 10.2706 38.1323 558510.4281 -7.2950 -7.4074 PRESSURE: 699400 132.841 -39.1389 147.512 -39.1388 269.95 168.129 147.511 168.129 59.0664 GPRESSURE: 699400 201.752 -91.803 115.503 38.7241 294.652 112.418 181.769 201.18 70.5795 PRESSAVG: 699400 35.9571 -2.79609 -27.3338 -2.79615 17.292 15.4866 -27.3338 15.4866 19.7434 GPRESSAVG: 699400 35.31 -2.35474 -26.4813 -3.4948 16.4189 16.4145 -27.2374 14.7263 20.5722 TIMING: 699400 CPU: 2024.33, 0.00290822/step Wall: 2024.33, 0.00290822/step, 3.47419 hours remaining, 206.648438 MB of memory in use. ENERGY: 699400 697.1480 2027.6177 1960.9868 116.8532 -206166.1756 18095.7313 0.0000 0.0000 34375.6184 -148892.2202 300.2108 -183267.8385 -148793.1628 299.8795 153.9524 188.9946 559173.6919 24.3308 24.1003 PRESSURE: 699600 75.6034 25.0926 -19.0898 25.0918 31.2835 -11.0099 -19.091 -11.01 -206.696 GPRESSURE: 699600 95.88 47.0227 -100.085 -21.987 54.7 -43.6591 -52.4283 -56.4038 -170.68 PRESSAVG: 699600 -17.7596 32.7246 -13.5045 32.7247 72.4764 52.3224 -13.5045 52.3224 -52.8534 GPRESSAVG: 699600 -16.8148 31.4228 -14.1076 31.908 72.9377 52.2867 -13.9333 54.2598 -54.1739 TIMING: 699600 CPU: 2024.92, 0.00293821/step Wall: 2024.92, 0.00293821/step, 3.50986 hours remaining, 206.648438 MB of memory in use. ENERGY: 699600 762.9726 2117.3905 1944.1145 104.3801 -206002.4231 17873.8553 0.0000 0.0000 34322.4420 -148877.2681 299.7464 -183199.7101 -148791.6213 299.9877 -33.2696 -6.6999 558499.8513 0.6211 0.6497 PRESSURE: 699800 -36.6042 109.072 -73.0442 109.074 -23.1937 115.161 -73.0434 115.16 -172.982 GPRESSURE: 699800 3.72392 84.4732 -56.7802 173.335 -42.5686 68.2673 -83.6172 75.6166 -99.6091 PRESSAVG: 699800 14.0993 -25.2348 -29.4882 -25.2349 29.1534 3.74717 -29.4882 3.74716 -21.8678 GPRESSAVG: 699800 14.5725 -23.1769 -27.3208 -24.8878 28.393 2.98709 -29.3247 3.07852 -21.2659 TIMING: 699800 CPU: 2025.5, 0.00290274/step Wall: 2025.5, 0.00290274/step, 3.46732 hours remaining, 206.648438 MB of memory in use. ENERGY: 699800 761.3777 2099.0944 1940.7393 113.6254 -206051.6442 17823.7049 0.0000 0.0000 34304.8166 -149008.2859 299.5925 -183313.1024 -148914.1492 299.8634 -77.5932 -46.1512 559239.9365 7.1283 7.2332 PRESSURE: 700000 -34.552 18.4943 -158.764 18.4945 79.4 86.1779 -158.764 86.1786 -48.3233 GPRESSURE: 700000 0.500724 44.3039 -148.336 -15.367 157.821 68.3023 -44.4374 123.199 -68.7872 PRESSAVG: 700000 10.0934 15.085 -10.6466 15.0849 69.6259 11.137 -10.6465 11.137 -105.761 GPRESSAVG: 700000 8.05296 12.0082 -13.268 16.4135 70.3093 12.1959 -9.08448 11.6788 -104.849 TIMING: 700000 CPU: 2026.07, 0.00288636/step Wall: 2026.07, 0.00288636/step, 3.44759 hours remaining, 206.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 700000 773.4213 2131.7611 1952.6733 104.8173 -206070.0697 17908.0334 0.0000 0.0000 34112.9047 -149086.4586 297.9165 -183199.3634 -148993.6308 299.0510 -1.1585 29.8448 557970.7329 -8.6805 -8.8288 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.010 seconds, 206.648 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700200 -81.325 -57.3268 -164.274 -57.3268 -183.378 -76.6664 -164.273 -76.6679 214.16 GPRESSURE: 700200 -35.9906 -142.457 -118.619 -105.506 -145.452 -38.5063 -191.784 -89.2775 210.358 PRESSAVG: 700200 -30.8364 43.6877 -32.0004 43.6875 26.4919 -47.8017 -32.0005 -47.8018 11.9627 GPRESSAVG: 700200 -30.5046 43.4222 -27.6919 43.8996 26.7517 -47.6397 -32.4281 -48.6017 11.1907 TIMING: 700200 CPU: 2026.67, 0.00299014/step Wall: 2026.67, 0.00299014/step, 3.57138 hours remaining, 206.648438 MB of memory in use. ENERGY: 700200 747.0064 2063.3849 1948.5651 109.0114 -205777.0749 17710.2296 0.0000 0.0000 34118.6966 -149080.1808 297.9671 -183198.8775 -148984.7000 299.4784 -16.8477 9.6386 557601.2738 2.5394 2.4793 LDB: ============= START OF LOAD BALANCING ============== 2030.06 LDB: ============== END OF LOAD BALANCING =============== 2030.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2030.06 LDB: ============= START OF LOAD BALANCING ============== 2030.35 LDB: Largest compute 4820 load 0.026575 is 22.5% of average load 0.117893 LDB: Average compute 0.001719 is 1.5% of average load 0.117893 LDB: TIME 2030.35 LOAD: AVG 0.117893 MAX 0.185416 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.223 MB LDB: TIME 2030.35 LOAD: AVG 0.117893 MAX 0.185416 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: TIME 2030.35 LOAD: AVG 0.117893 MAX 0.185416 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2030.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2030.36 PRESSURE: 700400 40.522 5.51066 -14.1227 5.51135 11.1256 -74.7305 -14.1241 -74.7302 258.367 GPRESSURE: 700400 75.258 88.2247 70.9889 -80.6325 24.6844 -130.986 0.491882 -33.1686 322.138 PRESSAVG: 700400 -56.3977 -49.9479 2.76368 -49.948 -2.43484 24.3197 2.76362 24.3196 46.2548 GPRESSAVG: 700400 -54.8021 -46.6474 1.5818 -52.7001 -4.12039 25.746 0.955591 23.0975 45.7046 TIMING: 700400 CPU: 2027.26, 0.00295362/step Wall: 2027.26, 0.00295362/step, 3.5276 hours remaining, 205.812500 MB of memory in use. ENERGY: 700400 681.9145 2070.1390 1938.6833 111.9853 -206416.1473 17959.8039 0.0000 0.0000 34418.0669 -149235.5545 300.5815 -183653.6213 -149136.4804 299.0393 103.3383 140.6934 558299.1777 -4.1926 -4.4060 PRESSURE: 700600 -69.8236 0.310147 -106.114 0.311816 -136.838 89.2232 -106.112 89.2222 -88.4729 GPRESSURE: 700600 -74.9825 -9.50515 -71.4495 93.1981 -62.7553 22.0142 -43.8899 111.388 -55.3276 PRESSAVG: 700600 19.079 -35.516 11.9535 -35.5159 9.17867 -11.3896 11.9537 -11.3896 -18.0067 GPRESSAVG: 700600 18.673 -35.3148 12.2124 -32.1893 9.40009 -14.4832 12.4432 -9.1244 -17.5383 TIMING: 700600 CPU: 2027.84, 0.00289366/step Wall: 2027.84, 0.00289366/step, 3.45583 hours remaining, 205.812500 MB of memory in use. ENERGY: 700600 763.0094 2040.8087 1934.1196 119.8241 -205928.1639 17738.6210 0.0000 0.0000 34337.9352 -148993.8459 299.8817 -183331.7811 -148896.2043 299.9552 -98.3783 -64.3552 557000.8150 3.4170 3.5116 PRESSURE: 700800 -173.042 -195.909 125.846 -195.91 -299.717 -10.2666 125.846 -10.2652 -105.38 GPRESSURE: 700800 -140.909 -222.396 110.955 -209.24 -255.797 -3.93787 36.4866 18.0727 -88.7292 PRESSAVG: 700800 83.1637 -29.2285 -17.1189 -29.2284 -0.275681 18.9839 -17.1189 18.9838 -41.513 GPRESSAVG: 700800 83.0632 -31.8322 -17.3453 -29.3307 0.446524 20.7478 -16.7654 18.0505 -41.5276 TIMING: 700800 CPU: 2028.42, 0.00291137/step Wall: 2028.42, 0.00291137/step, 3.47683 hours remaining, 206.101562 MB of memory in use. ENERGY: 700800 760.9330 2027.4878 1945.1938 113.0368 -205713.6547 17308.8078 0.0000 0.0000 34402.2637 -149155.9318 300.4435 -183558.1956 -149060.8063 299.9109 -192.7133 -161.8118 558148.3234 13.7917 13.9941 PRESSURE: 701000 -58.0296 -75.3606 -24.93 -75.3593 -82.8248 -50.6237 -24.9297 -50.6235 11.8845 GPRESSURE: 701000 -60.7186 -18.3763 -53.675 -137.907 -52.0684 -5.40324 60.9678 -64.0893 81.0752 PRESSAVG: 701000 48.3602 1.36536 28.3374 1.36546 20.9528 5.72733 28.3374 5.7273 -33.364 GPRESSAVG: 701000 49.252 1.28917 26.4703 -0.238936 20.0244 6.59018 28.9495 4.95533 -32.88 TIMING: 701000 CPU: 2029, 0.00289396/step Wall: 2029, 0.00289396/step, 3.45587 hours remaining, 206.101562 MB of memory in use. ENERGY: 701000 733.7684 2081.4398 1947.6373 108.2958 -206363.9747 17866.4754 0.0000 0.0000 34384.4914 -149241.8667 300.2883 -183626.3581 -149149.7754 299.7208 -42.9900 -10.5706 557681.4029 11.9830 12.1321 PRESSURE: 701200 -27.9587 -35.8296 65.3709 -35.83 -33.8583 -95.2157 65.3717 -95.2153 207.34 GPRESSURE: 701200 -18.4279 47.5885 71.0921 -21.4085 7.43907 -29.1627 19.5104 -37.4996 251.127 PRESSAVG: 701200 -20.4864 0.808001 21.618 0.807917 31.6504 -35.5503 21.6179 -35.5503 60.5624 GPRESSAVG: 701200 -21.4224 3.73729 21.6185 0.968257 32.489 -37.0383 21.557 -34.0105 60.8341 TIMING: 701200 CPU: 2029.58, 0.00289956/step Wall: 2029.58, 0.00289956/step, 3.4624 hours remaining, 206.101562 MB of memory in use. ENERGY: 701200 756.1713 2042.6324 1928.4808 111.0114 -206292.0015 17993.2160 0.0000 0.0000 34350.2190 -149110.2706 299.9890 -183460.4895 -149017.1596 299.9763 48.5077 80.0461 558194.5980 23.9088 23.9669 PRESSURE: 701400 211.068 -6.34845 -4.49002 -6.34831 352.883 -35.4994 -4.49009 -35.4993 87.0545 GPRESSURE: 701400 289.548 -75.708 51.6852 35.4416 382.358 -1.81987 -77.9267 -1.50153 74.6485 PRESSAVG: 701400 -13.4094 29.2329 24.3181 29.2329 32.153 79.883 24.3181 79.8828 -0.700451 GPRESSAVG: 701400 -12.0887 26.615 25.3473 29.6423 31.7924 79.8536 23.2044 78.5155 -1.6894 TIMING: 701400 CPU: 2030.16, 0.00291352/step Wall: 2030.16, 0.00291352/step, 3.47891 hours remaining, 206.101562 MB of memory in use. ENERGY: 701400 762.6144 2049.7883 1974.1422 112.7329 -206639.4888 18305.6395 0.0000 0.0000 34364.0023 -149070.5693 300.1094 -183434.5716 -148970.6450 299.2460 217.0016 248.8516 558310.6598 6.0144 6.0047 PRESSURE: 701600 -84.6682 -80.7476 64.6679 -80.7478 -43.5954 39.6896 64.6678 39.691 -61.1447 GPRESSURE: 701600 -24.5553 -27.3412 62.385 -54.9168 -37.2142 2.86115 49.609 62.449 -30.4135 PRESSAVG: 701600 -7.85596 -1.44189 12.0002 -1.44186 46.0203 43.7774 12.0001 43.7776 -5.36154 GPRESSAVG: 701600 -7.71515 -1.65915 11.3547 -1.92397 45.3449 42.336 13.7352 44.8977 -5.13414 TIMING: 701600 CPU: 2030.74, 0.00289302/step Wall: 2030.74, 0.00289302/step, 3.45427 hours remaining, 206.167969 MB of memory in use. ENERGY: 701600 740.0653 2137.6859 1966.1106 106.0082 -206384.0667 17851.1217 0.0000 0.0000 34225.7327 -149357.3422 298.9018 -183583.0749 -149265.2243 299.6812 -63.1361 -30.7277 557804.3771 10.9343 10.8319 PRESSURE: 701800 -287.107 -26.5254 -73.7141 -26.5256 -313.439 -10.9253 -73.7136 -10.925 34.7493 GPRESSURE: 701800 -265.314 -96.112 -87.8636 84.0349 -303.452 21.0384 -145.096 -143.911 88.3037 PRESSAVG: 701800 -25.3965 8.98905 -88.9245 8.98908 -19.4151 5.38672 -88.9246 5.38658 54.9144 GPRESSAVG: 701800 -25.5472 10.2824 -89.0413 8.8776 -19.194 8.78891 -91.5274 2.83095 54.6096 TIMING: 701800 CPU: 2031.33, 0.0029255/step Wall: 2031.33, 0.0029255/step, 3.49289 hours remaining, 206.167969 MB of memory in use. ENERGY: 701800 724.0180 2057.8012 1955.4287 104.3214 -206038.7162 17547.4833 0.0000 0.0000 34405.2382 -149244.4254 300.4695 -183649.6636 -149145.7880 299.5366 -188.5988 -160.1539 558087.6020 3.3676 3.2895 PRESSURE: 702000 -241.898 72.6708 141.871 72.6721 -104.562 64.9285 141.871 64.9287 179.016 GPRESSURE: 702000 -188.68 25.084 98.2276 115.157 -55.7986 -52.3834 92.3751 48.4735 176.843 PRESSAVG: 702000 -70.6167 50.6589 -33.5705 50.6589 27.9719 -15.7015 -33.5705 -15.7015 40.8194 GPRESSAVG: 702000 -70.9216 51.2428 -33.0423 50.6345 27.4295 -17.6272 -33.3068 -13.3526 42.4608 TIMING: 702000 CPU: 2031.91, 0.00292559/step Wall: 2031.91, 0.00292559/step, 3.49283 hours remaining, 206.167969 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: 702000 759.4425 2081.1543 1936.7505 114.1269 -206043.3799 17617.2225 0.0000 0.0000 34246.2658 -149288.4174 299.0812 -183534.6832 -149195.1017 299.6696 -55.8145 -22.5450 556978.1878 -0.6085 -0.3438 PRESSURE: 702200 71.1294 -178.173 -279.822 -178.174 -204.831 -28.3556 -279.821 -28.3565 -234.247 GPRESSURE: 702200 97.5751 -174.758 -229.459 -193.405 -131.856 -40.1701 -254.01 -21.4958 -238.983 PRESSAVG: 702200 -11.633 -19.8862 -15.7984 -19.8862 46.5783 -24.5226 -15.7983 -24.5227 -7.77377 GPRESSAVG: 702200 -11.4446 -20.6411 -16.7213 -18.8667 48.9648 -24.9921 -14.2298 -22.2975 -10.1386 TIMING: 702200 CPU: 2032.5, 0.00292799/step Wall: 2032.5, 0.00292799/step, 3.49553 hours remaining, 206.167969 MB of memory in use. ENERGY: 702200 752.6450 2070.4085 1947.6986 113.5139 -205987.5531 17578.2967 0.0000 0.0000 34265.5582 -149259.4321 299.2496 -183524.9903 -149164.4744 298.7563 -122.6496 -91.0883 558353.8478 9.0572 9.1272 PRESSURE: 702400 150.038 -95.4781 -93.0443 -95.4784 -7.97161 -19.6081 -93.044 -19.6081 -66.5993 GPRESSURE: 702400 230.759 -156.601 -76.2499 -117.566 7.77909 -8.97773 -40.1263 -31.4076 -63.5245 PRESSAVG: 702400 -26.2957 -36.3858 -32.3774 -36.3857 -24.3303 -29.4003 -32.3775 -29.4004 24.6092 GPRESSAVG: 702400 -27.8426 -33.993 -31.69 -37.623 -24.7473 -29.3884 -33.8799 -31.7599 26.0071 TIMING: 702400 CPU: 2033.08, 0.00292948/step Wall: 2033.08, 0.00292948/step, 3.49714 hours remaining, 206.167969 MB of memory in use. ENERGY: 702400 694.8177 2060.1336 1968.1197 103.7880 -206127.7508 17759.1507 0.0000 0.0000 34126.4603 -149415.2808 298.0349 -183541.7411 -149317.7883 298.9285 25.1559 58.3380 557914.9822 -8.6723 -8.8609 PRESSURE: 702600 54.1817 104.739 -54.1984 104.739 -6.10464 78.7294 -54.1994 78.7289 -65.4412 GPRESSURE: 702600 31.3478 72.7268 -140.058 85.9764 50.7917 142.283 0.31404 14.9561 17.4303 PRESSAVG: 702600 -15.3879 -18.488 61.8928 -18.4881 62.3276 -29.2665 61.8928 -29.2666 -8.47759 GPRESSAVG: 702600 -14.2793 -21.0572 60.1752 -16.8227 60.8572 -27.2666 63.6578 -28.9623 -7.71533 TIMING: 702600 CPU: 2033.67, 0.00291744/step Wall: 2033.67, 0.00291744/step, 3.48261 hours remaining, 206.167969 MB of memory in use. ENERGY: 702600 748.1365 2152.6964 1969.2448 120.6219 -206565.7559 18011.5299 0.0000 0.0000 34207.0062 -149356.5202 298.7383 -183563.5264 -149258.9160 298.4913 -5.7880 33.1899 557686.3767 12.8207 12.9542 PRESSURE: 702800 3.94684 32.9043 -56.0963 32.9052 121.488 254.49 -56.0965 254.49 -88.144 GPRESSURE: 702800 -11.8806 19.5565 -107.722 125.304 136.103 275.653 -49.5988 205.683 4.72536 PRESSAVG: 702800 -19.0762 30.6541 -50.0199 30.6541 31.8151 6.56726 -50.0198 6.56735 -7.65253 GPRESSAVG: 702800 -19.1109 30.7678 -50.5443 31.0815 33.1544 5.57463 -51.9618 5.46974 -9.23901 TIMING: 702800 CPU: 2034.25, 0.002925/step Wall: 2034.25, 0.002925/step, 3.49147 hours remaining, 206.167969 MB of memory in use. ENERGY: 702800 758.6941 2115.1014 1977.3150 105.7167 -206338.1895 17858.1126 0.0000 0.0000 34222.4354 -149300.8143 298.8730 -183523.2497 -149202.9484 298.9052 12.4302 42.9825 558096.5584 1.6955 1.6015 PRESSURE: 703000 -6.57654 2.85844 -61.5346 2.85692 -54.1642 22.7781 -61.5347 22.7762 -55.7187 GPRESSURE: 703000 59.9898 -22.0775 -156.007 25.8353 -22.2201 184.332 5.05483 12.2842 -59.3224 PRESSAVG: 703000 -65.5009 -22.9692 -0.401706 -22.9693 78.2846 3.30333 -0.401751 3.30321 -22.2438 GPRESSAVG: 703000 -65.3814 -22.881 1.48821 -24.7818 76.8754 6.00409 -1.05885 4.50189 -21.3225 TIMING: 703000 CPU: 2034.84, 0.00293966/step Wall: 2034.84, 0.00293966/step, 3.50881 hours remaining, 206.167969 MB of memory in use. ENERGY: 703000 777.8236 2111.8192 1948.4909 113.4712 -206247.2870 17687.8172 0.0000 0.0000 34406.7624 -149201.1025 300.4828 -183607.8649 -149107.3226 299.2068 -38.8198 -7.1842 555895.2471 -3.1534 -3.2762 PRESSURE: 703200 -233.146 -116.863 -116.36 -116.863 -246.351 -29.9952 -116.358 -29.9934 -95.6441 GPRESSURE: 703200 -149.307 -114.632 -186.091 -143.836 -203.398 70.4476 -111.737 -48.2749 -126.14 PRESSAVG: 703200 9.40217 -28.3555 16.046 -28.3555 -10.4289 -14.3224 16.0461 -14.3224 5.57738 GPRESSAVG: 703200 9.50652 -27.3801 16.766 -27.7755 -10.3985 -18.0878 17.3571 -14.4092 5.44685 TIMING: 703200 CPU: 2035.42, 0.00291778/step Wall: 2035.42, 0.00291778/step, 3.48253 hours remaining, 206.167969 MB of memory in use. ENERGY: 703200 795.2260 2087.8728 1952.2195 114.3060 -205753.2514 17605.7761 0.0000 0.0000 34111.8901 -149085.9609 297.9076 -183197.8510 -148983.8861 299.4238 -191.7136 -159.6150 558008.2595 1.5169 1.5183 PRESSURE: 703400 81.3309 85.8739 -32.0625 85.8732 -39.8357 -51.0356 -32.0602 -51.0347 50.5754 GPRESSURE: 703400 118.145 176.573 -100.252 70.3171 -19.5918 56.1353 2.37656 -62.2584 86.5163 PRESSAVG: 703400 5.32417 49.4255 17.0345 49.4254 -46.1704 -47.6638 17.0345 -47.6638 63.4519 GPRESSAVG: 703400 5.31173 49.377 15.7162 48.1434 -45.6039 -46.1283 16.3553 -47.6206 63.1648 TIMING: 703400 CPU: 2036.01, 0.00292572/step Wall: 2036.01, 0.00292572/step, 3.49184 hours remaining, 206.167969 MB of memory in use. ENERGY: 703400 740.5775 2098.8556 1945.6141 122.8129 -206037.6010 17908.0846 0.0000 0.0000 34127.0556 -149094.6008 298.0401 -183221.6565 -149000.9376 299.7185 30.6902 61.6898 556927.9582 7.5352 7.6242 PRESSURE: 703600 5.34919 -48.8097 11.602 -48.8099 -259.595 82.6363 11.6004 82.6362 76.4308 GPRESSURE: 703600 9.87458 -92.0416 120.77 24.1616 -185.777 60.8177 67.0115 98.0777 105.397 PRESSAVG: 703600 39.2197 4.61956 -30.8218 4.61968 -44.6572 17.867 -30.8219 17.867 72.4518 GPRESSAVG: 703600 39.1886 4.77339 -30.5823 4.22132 -44.4548 17.1369 -29.1257 19.5764 72.9957 TIMING: 703600 CPU: 2036.59, 0.00289742/step Wall: 2036.59, 0.00289742/step, 3.45791 hours remaining, 206.167969 MB of memory in use. ENERGY: 703600 788.4656 2095.3229 1942.9720 108.8939 -205709.4368 17495.0915 0.0000 0.0000 34155.1727 -149123.5181 298.2856 -183278.6908 -149029.0765 299.2702 -59.2718 -23.5020 556932.1606 22.3381 22.5765 PRESSURE: 703800 0.291511 -78.7932 -20.1367 -78.7925 229.829 74.2657 -20.137 74.264 156.069 GPRESSURE: 703800 81.3948 -110.921 -18.0899 -102.367 216.609 4.46346 -47.9608 114.858 177.96 PRESSAVG: 703800 15.0873 -33.6981 -35.4451 -33.6981 -11.1649 19.0014 -35.4452 19.0014 -35.9462 GPRESSAVG: 703800 16.1408 -35.7915 -33.9451 -33.3552 -10.1201 18.3642 -36.1619 19.3432 -37.4183 TIMING: 703800 CPU: 2037.17, 0.00290934/step Wall: 2037.17, 0.00290934/step, 3.47197 hours remaining, 206.167969 MB of memory in use. ENERGY: 703800 747.0590 2108.0768 1929.7635 113.7284 -206337.9179 17965.9732 0.0000 0.0000 34257.9851 -149215.3319 299.1835 -183473.3170 -149120.6449 298.8746 128.7300 158.6548 556529.7763 -10.6746 -10.4658 PRESSURE: 704000 -301.524 -158.114 -99.072 -158.113 -100.844 7.64696 -99.0725 7.64866 -49.7546 GPRESSURE: 704000 -265.473 -201.149 -213.543 -205.286 -78.2166 25.9172 -45.367 -18.3227 -21.5455 PRESSAVG: 704000 -17.2187 -15.7111 -12.3198 -15.711 -20.1427 -9.19652 -12.3197 -9.19641 10.2965 GPRESSAVG: 704000 -17.1031 -13.6092 -13.5343 -16.3959 -20.6938 -7.77703 -13.3216 -11.1791 10.5852 TIMING: 704000 CPU: 2037.75, 0.00289853/step Wall: 2037.75, 0.00289853/step, 3.45891 hours remaining, 206.167969 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: 704000 733.5302 2088.2260 1966.8798 101.2467 -205831.4178 17573.3718 0.0000 0.0000 34220.4423 -149147.7211 298.8556 -183368.1634 -149045.1944 299.4050 -150.7074 -121.7450 558251.5303 -9.0216 -9.0705 PRESSURE: 704200 -131.087 159.456 62.5976 159.456 21.2118 -87.7527 62.5984 -87.7526 33.0615 GPRESSURE: 704200 -46.6895 114.924 91.582 149.484 49.5833 -73.8379 -46.2008 -112.316 20.9396 PRESSAVG: 704200 -48.6031 37.8704 -49.1093 37.8703 -23.0353 6.06552 -49.1094 6.06552 51.5083 GPRESSAVG: 704200 -49.5179 36.9041 -49.3954 40.0178 -22.7492 7.48703 -50.1825 4.59603 51.7313 TIMING: 704200 CPU: 2038.34, 0.00293157/step Wall: 2038.34, 0.00293157/step, 3.49818 hours remaining, 206.167969 MB of memory in use. ENERGY: 704200 778.7757 2110.0416 1961.3427 117.5424 -206212.1388 17807.0275 0.0000 0.0000 34088.7808 -149348.6281 297.7058 -183437.4089 -149251.6619 299.1400 -25.6047 7.9445 556415.5546 -6.7100 -6.8453 LDB: ============= START OF LOAD BALANCING ============== 2041.72 LDB: ============== END OF LOAD BALANCING =============== 2041.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2041.73 LDB: ============= START OF LOAD BALANCING ============== 2042.02 LDB: Largest compute 4820 load 0.027434 is 23.3% of average load 0.117904 LDB: Average compute 0.001718 is 1.5% of average load 0.117904 LDB: TIME 2042.02 LOAD: AVG 0.117904 MAX 0.186092 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.062 MB LDB: TIME 2042.02 LOAD: AVG 0.117904 MAX 0.186092 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.125 MB LDB: TIME 2042.02 LOAD: AVG 0.117904 MAX 0.186092 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2042.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2042.03 PRESSURE: 704400 -22.0505 -98.0412 168.927 -98.0403 -30.141 -14.0333 168.926 -14.0342 102.471 GPRESSURE: 704400 4.09179 -113.82 153.486 -92.9008 4.37489 -85.0587 105.088 -8.71419 150.166 PRESSAVG: 704400 -67.3333 56.3977 12.8765 56.3977 1.10664 -29.4193 12.8764 -29.4193 37.5366 GPRESSAVG: 704400 -66.8016 55.5005 11.8113 56.2703 -0.778516 -33.8079 14.2039 -24.8838 38.9737 TIMING: 704400 CPU: 2038.93, 0.00297499/step Wall: 2038.93, 0.00297499/step, 3.54983 hours remaining, 207.355469 MB of memory in use. ENERGY: 704400 739.1391 2023.5592 1944.4265 119.7014 -206416.9909 17916.8197 0.0000 0.0000 34351.1256 -149322.2193 299.9969 -183673.3449 -149231.8957 299.4169 16.7598 52.8777 557739.9927 -9.5633 -9.5355 PRESSURE: 704600 -405.566 42.2365 64.1137 42.2369 -111.352 23.3194 64.1129 23.3193 -319.016 GPRESSURE: 704600 -346.332 -34.2937 21.5872 128.283 -163.439 176.966 117.465 -36.6121 -241.874 PRESSAVG: 704600 -76.7692 41.8974 -15.659 41.8974 59.2529 41.1229 -15.659 41.1229 9.23121 GPRESSAVG: 704600 -76.9614 42.2496 -13.0861 41.8758 60.8821 43.9516 -16.1583 38.6324 7.86607 TIMING: 704600 CPU: 2039.52, 0.00293138/step Wall: 2039.52, 0.00293138/step, 3.49763 hours remaining, 207.355469 MB of memory in use. ENERGY: 704600 773.7672 2170.1278 1941.9292 123.0734 -206081.0842 17492.3905 0.0000 0.0000 34264.0214 -149315.7747 299.2362 -183579.7961 -149226.1336 299.1589 -278.6447 -250.5482 559308.2295 -2.7617 -2.7377 PRESSURE: 704800 -119.683 52.553 -196.395 52.5529 -65.3426 -102.794 -196.395 -102.793 96.7715 GPRESSURE: 704800 -60.7267 116.496 -175.228 95.2025 -22.2853 -42.5745 -223.337 -24.9991 87.4803 PRESSAVG: 704800 -65.1727 32.2808 -18.9218 32.2807 29.3122 37.2326 -18.9219 37.2326 9.46337 GPRESSAVG: 704800 -64.4852 31.3801 -18.2169 32.4869 28.6776 36.8987 -17.2521 36.1461 9.51189 TIMING: 704800 CPU: 2040.11, 0.00293577/step Wall: 2040.11, 0.00293577/step, 3.50271 hours remaining, 207.355469 MB of memory in use. ENERGY: 704800 735.8549 2060.7288 1961.5952 121.4293 -205968.9807 17717.9208 0.0000 0.0000 34212.7937 -149158.6581 298.7888 -183371.4517 -149056.5498 299.0103 -29.4180 1.4894 558828.1016 -8.7990 -8.7652 PRESSURE: 705000 -56.3666 -81.4349 4.37658 -81.4358 -186.395 -25.2937 4.37644 -25.2948 30.6306 GPRESSURE: 705000 -44.2123 -130.388 89.722 -54.9601 -147.635 -44.7255 -50.5471 37.4331 80.3772 PRESSAVG: 705000 -10.9278 5.66433 -51.453 5.66436 -21.14 54.3452 -51.453 54.3451 72.4536 GPRESSAVG: 705000 -10.0427 6.54413 -52.1376 6.30719 -21.9308 53.9216 -52.7365 55.9636 72.2057 TIMING: 705000 CPU: 2040.69, 0.00293024/step Wall: 2040.69, 0.00293024/step, 3.49594 hours remaining, 207.683594 MB of memory in use. ENERGY: 705000 744.5076 2042.8077 1951.8839 128.4912 -206219.6556 17814.2082 0.0000 0.0000 34125.7424 -149412.0146 298.0286 -183537.7569 -149311.4557 298.9767 -70.7105 -37.1567 558970.9689 13.4619 13.4108 PRESSURE: 705200 -159.57 -25.9013 22.1588 -25.9009 -86.3603 186.711 22.1579 186.711 -336.695 GPRESSURE: 705200 -117.368 -72.8807 -22.9345 23.4585 -128.848 150.603 -8.46936 155.513 -246.322 PRESSAVG: 705200 -45.5487 15.1077 2.5502 15.1077 23.09 3.95022 2.55012 3.95012 12.3767 GPRESSAVG: 705200 -46.8629 16.1477 -0.629468 14.4033 25.8179 4.18144 2.55181 3.96602 11.1509 TIMING: 705200 CPU: 2041.28, 0.00291954/step Wall: 2041.28, 0.00291954/step, 3.48301 hours remaining, 207.683594 MB of memory in use. ENERGY: 705200 762.0108 2070.8702 1958.0697 109.6433 -206420.3675 17703.2213 0.0000 0.0000 34394.8380 -149421.7142 300.3787 -183816.5522 -149312.6541 298.3858 -194.2082 -164.1792 558861.2974 -3.3607 -3.2980 PRESSURE: 705400 -493.154 -254.521 290.093 -254.522 -2.73756 -12.717 290.095 -12.7158 -173.328 GPRESSURE: 705400 -437.532 -188.743 219.688 -183.657 17.3916 41.4117 269.669 -21.3736 -147.299 PRESSAVG: 705400 -65.1861 -7.75739 32.0674 -7.75735 12.4436 22.3104 32.0674 22.3104 -4.35264 GPRESSAVG: 705400 -64.8822 -9.35951 35.1158 -6.83078 11.3956 20.6177 32.0764 23.2437 -3.1869 TIMING: 705400 CPU: 2041.86, 0.00291519/step Wall: 2041.86, 0.00291519/step, 3.47766 hours remaining, 207.683594 MB of memory in use. ENERGY: 705400 707.9929 2036.5191 1965.7489 100.8767 -206053.9652 17587.8647 0.0000 0.0000 34307.3591 -149347.6038 299.6147 -183654.9629 -149248.9442 298.8168 -223.0732 -189.1466 559445.2815 -19.0317 -18.8912 PRESSURE: 705600 166.557 -88.7786 -15.758 -88.779 -22.5722 -80.273 -15.7583 -80.2734 -51.1464 GPRESSURE: 705600 186.486 -124.962 39.0456 -108.969 104.715 -74.2759 -107.271 -19.6582 -109.703 PRESSAVG: 705600 20.4834 -43.755 29.206 -43.755 12.1507 -20.4352 29.206 -20.4353 -48.1781 GPRESSAVG: 705600 21.6202 -43.8005 28.99 -44.2882 10.2718 -17.8896 26.9523 -21.7337 -47.3969 TIMING: 705600 CPU: 2042.44, 0.00291106/step Wall: 2042.44, 0.00291106/step, 3.47257 hours remaining, 207.683594 MB of memory in use. ENERGY: 705600 740.2979 2001.6785 1963.3072 124.1155 -206148.3086 17973.2866 0.0000 0.0000 34167.3426 -149178.2804 298.3919 -183345.6230 -149076.8706 298.8773 30.9461 60.4993 558086.9452 -5.1814 -5.1683 PRESSURE: 705800 143.563 -30.8711 26.6282 -30.8721 -111.816 -13.5072 26.6276 -13.5061 21.636 GPRESSURE: 705800 182.41 -111.261 2.85752 -26.8274 -82.5968 21.4456 54.5893 -45.0328 47.6249 PRESSAVG: 705800 140.633 -38.3116 49.3255 -38.3116 -25.0984 -4.24204 49.3255 -4.24213 -89.2741 GPRESSAVG: 705800 141.048 -38.2245 50.0229 -39.2685 -24.6945 -4.96439 49.7322 -2.98063 -89.3902 TIMING: 705800 CPU: 2043.02, 0.00291415/step Wall: 2043.02, 0.00291415/step, 3.4761 hours remaining, 207.683594 MB of memory in use. ENERGY: 705800 753.5972 2081.2862 1954.2366 117.1073 -206244.1181 17789.7282 0.0000 0.0000 34257.2711 -149290.8916 299.1773 -183548.1626 -149192.9150 300.0066 17.7943 49.1459 557348.4191 8.7534 8.9878 PRESSURE: 706000 47.5033 -41.1356 -190.94 -41.1366 192.443 87.2504 -190.939 87.2506 -3.20839 GPRESSURE: 706000 109 -57.6572 -204.913 20.5893 177.801 59.1214 -170.039 67.444 36.0129 PRESSAVG: 706000 0.620479 -25.5126 4.13248 -25.5126 46.5139 32.4009 4.13252 32.401 -30.9246 GPRESSAVG: 706000 -0.396452 -25.1996 3.6941 -25.7289 46.9106 32.6166 4.26939 30.9026 -30.9805 TIMING: 706000 CPU: 2043.6, 0.00290034/step Wall: 2043.6, 0.00290034/step, 3.45946 hours remaining, 207.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 706000 769.7281 2117.9511 1955.9162 107.4314 -206344.7611 17919.5082 0.0000 0.0000 34202.0563 -149272.1700 298.6951 -183474.2263 -149180.1126 299.2780 78.9127 107.6047 556101.0370 5.4033 5.1779 PRESSURE: 706200 -159.269 81.853 22.234 81.8519 -92.281 35.7743 22.2337 35.7742 -22.2248 GPRESSURE: 706200 -129.524 82.97 -40.4622 148.561 -87.0283 115.094 51.1621 -80.8502 27.9543 PRESSAVG: 706200 79.2176 4.27359 -34.7054 4.27367 -21.178 21.0445 -34.7053 21.0445 -33.5273 GPRESSAVG: 706200 79.9582 5.01177 -35.4132 3.57388 -20.2589 21.6367 -33.2481 21.7313 -35.2961 TIMING: 706200 CPU: 2044.18, 0.00289315/step Wall: 2044.18, 0.00289315/step, 3.45072 hours remaining, 207.699219 MB of memory in use. ENERGY: 706200 729.2438 2098.3332 1949.5661 111.7769 -206037.3002 17655.1801 0.0000 0.0000 34055.5150 -149437.6851 297.4153 -183493.2001 -149336.2856 298.3785 -91.2583 -62.8660 557964.3926 8.1708 8.1344 PRESSURE: 706400 -117.034 0.344167 -86.9824 0.344744 44.4438 -51.6146 -86.9803 -51.6143 190.384 GPRESSURE: 706400 -28.3307 75.7321 -70.7459 30.6594 51.2856 40.2894 -66.9559 -17.8096 186.359 PRESSAVG: 706400 9.8283 0.476727 0.438691 0.476778 0.625365 30.8769 0.438633 30.8769 -50.8608 GPRESSAVG: 706400 8.92028 -0.312935 0.014881 1.60525 0.0465209 29.0567 -1.17535 31.9025 -49.0202 TIMING: 706400 CPU: 2044.77, 0.00291574/step Wall: 2044.77, 0.00291574/step, 3.4775 hours remaining, 207.699219 MB of memory in use. ENERGY: 706400 747.5457 2046.1025 1960.3319 108.4753 -206425.9810 17847.6104 0.0000 0.0000 34059.2616 -149656.6536 297.4480 -183715.9152 -149551.3061 298.1011 39.2645 69.7712 557429.1373 -13.4690 -13.3511 PRESSURE: 706600 -22.8137 7.07147 2.24696 7.07148 72.9502 26.0037 2.24882 26.0046 -310.347 GPRESSURE: 706600 -17.4275 19.1519 -83.3961 29.3498 139.622 50.3283 83.4498 -2.48819 -292.48 PRESSAVG: 706600 -39.3871 25.7537 -32.7998 25.7539 81.9162 30.9446 -32.7999 30.9447 -58.5893 GPRESSAVG: 706600 -39.1086 24.9543 -33.2819 26.0771 82.697 32.6621 -31.1628 29.7792 -59.7101 TIMING: 706600 CPU: 2045.35, 0.00290136/step Wall: 2045.35, 0.00290136/step, 3.4602 hours remaining, 207.699219 MB of memory in use. ENERGY: 706600 737.2084 2112.6598 1955.8110 121.5788 -206652.3182 17791.8619 0.0000 0.0000 34167.4035 -149765.7949 298.3924 -183933.1984 -149669.0414 297.5791 -86.7368 -56.7618 557230.7556 -5.3534 -5.3739 PRESSURE: 706800 -71.274 -34.5639 62.1756 -34.5632 27.8854 -8.72891 62.1756 -8.72793 -48.4978 GPRESSURE: 706800 -53.6679 -26.7069 71.7436 -146.713 14.6503 44.4929 67.9411 23.2424 44.3261 PRESSAVG: 706800 25.4646 31.0667 36.5502 31.0667 -27.5989 -38.5438 36.5502 -38.5438 50.7083 GPRESSAVG: 706800 24.1215 33.1048 36.0078 29.8363 -27.4632 -39.7187 35.9207 -37.8205 51.5666 TIMING: 706800 CPU: 2045.92, 0.00289405/step Wall: 2045.92, 0.00289405/step, 3.45132 hours remaining, 207.699219 MB of memory in use. ENERGY: 706800 714.4928 2113.9325 1948.6873 128.6491 -206851.2598 17966.7691 0.0000 0.0000 34245.9639 -149732.7652 299.0785 -183978.7291 -149645.6616 298.1938 -30.6288 1.7695 556989.3722 16.1913 16.0750 PRESSURE: 707000 -197.199 161.354 18.5789 161.353 136.814 -20.982 18.579 -20.9822 -369.522 GPRESSURE: 707000 -130.742 142.307 30.2173 151.167 70.9359 -30.3229 5.30659 -98.9265 -269.562 PRESSAVG: 707000 -23.9799 -37.9534 -22.6033 -37.9535 37.2981 3.39058 -22.6033 3.39056 -29.7787 GPRESSAVG: 707000 -22.7628 -39.0026 -22.2863 -38.019 35.7797 4.37963 -20.0403 1.82807 -28.9168 TIMING: 707000 CPU: 2046.51, 0.00291235/step Wall: 2046.51, 0.00291235/step, 3.47298 hours remaining, 207.699219 MB of memory in use. ENERGY: 707000 791.4402 2022.4706 1928.0462 117.1061 -206621.4620 17915.9487 0.0000 0.0000 34109.5959 -149736.8544 297.8876 -183846.4503 -149637.6376 297.3374 -143.3024 -109.7892 557017.3612 -5.4868 -5.3000 PRESSURE: 707200 106.124 -30.7513 134.953 -30.7503 290.765 44.8082 134.952 44.8076 -4.93378 GPRESSURE: 707200 139.805 -61.5979 307.326 -0.838755 296.22 65.3852 78.0441 107.613 38.6604 PRESSAVG: 707200 -8.25005 -35.9867 -47.7155 -35.9867 42.076 -7.68205 -47.7155 -7.68214 -1.70125 GPRESSAVG: 707200 -9.4229 -35.1285 -45.506 -35.3084 43.4769 -7.95625 -48.4069 -5.95521 -1.89927 TIMING: 707200 CPU: 2047.09, 0.00290398/step Wall: 2047.09, 0.00290398/step, 3.46283 hours remaining, 207.699219 MB of memory in use. ENERGY: 707200 729.3253 2118.5851 1932.3663 114.4366 -206987.3345 18105.8713 0.0000 0.0000 34159.1475 -149827.6024 298.3203 -183986.7499 -149737.2769 297.2331 130.6517 158.2285 554924.4210 10.7082 10.7183 PRESSURE: 707400 84.8214 39.266 56.7691 39.2673 45.5664 28.249 56.7699 28.2494 -2.03417 GPRESSURE: 707400 146.001 23.4469 44.9816 -38.6309 62.7208 81.3763 52.3147 58.5623 14.5867 PRESSAVG: 707400 -19.7011 16.3788 -64.9474 16.3788 6.21251 -17.0922 -64.9474 -17.0922 -12.3081 GPRESSAVG: 707400 -18.49 13.8842 -66.6034 16.7846 5.16136 -18.2488 -64.6673 -17.3062 -13.019 TIMING: 707400 CPU: 2047.67, 0.00290373/step Wall: 2047.67, 0.00290373/step, 3.46238 hours remaining, 207.699219 MB of memory in use. ENERGY: 707400 782.9344 2092.3427 1964.2349 113.8754 -206649.2011 18010.1919 0.0000 0.0000 34018.3092 -149667.3125 297.0904 -183685.6217 -149569.1490 297.8395 42.7845 74.4361 555114.9307 -8.5989 -8.7825 PRESSURE: 707600 165.458 -116.13 18.1467 -116.13 -114.866 59.0145 18.1464 59.0133 131.236 GPRESSURE: 707600 132.594 -157.839 88.0798 -110.067 -56.2267 52.9773 -28.2354 -53.7339 203.727 PRESSAVG: 707600 -6.85438 6.62754 -10.6631 6.62762 51.7579 14.7031 -10.663 14.7031 -28.7648 GPRESSAVG: 707600 -6.82868 10.8237 -9.94104 3.88514 51.4184 17.7422 -11.984 12.6812 -28.8214 TIMING: 707600 CPU: 2048.25, 0.00290757/step Wall: 2048.25, 0.00290757/step, 3.46679 hours remaining, 207.699219 MB of memory in use. ENERGY: 707600 748.4662 2095.0891 1968.9129 120.0000 -206334.0053 17732.9624 0.0000 0.0000 33975.2704 -149693.3043 296.7145 -183668.5747 -149599.2615 298.8806 60.6092 93.3647 556188.6671 5.3796 5.2561 PRESSURE: 707800 -110.571 138.397 -119.629 138.397 -13.8118 15.2536 -119.629 15.2547 -127.167 GPRESSURE: 707800 -76.7558 138.899 -163.025 178.46 0.731752 -35.1026 -64.4004 -0.0974398 -91.7882 PRESSAVG: 707800 4.30075 6.28235 39.7408 6.28239 -6.52271 -65.4881 39.7407 -65.4881 -4.59614 GPRESSAVG: 707800 5.24077 3.39545 39.5474 8.37664 -7.04712 -65.83 40.2475 -65.2507 -5.2097 TIMING: 707800 CPU: 2048.83, 0.00292124/step Wall: 2048.83, 0.00292124/step, 3.48293 hours remaining, 207.699219 MB of memory in use. ENERGY: 707800 748.2645 2089.8511 1957.8734 135.8566 -206558.7433 17742.2283 0.0000 0.0000 34267.5459 -149617.1235 299.2670 -183884.6694 -149523.7780 297.8570 -83.8500 -55.9374 557775.1014 -2.2727 -2.3387 PRESSURE: 708000 -145.954 -13.7594 -92.2282 -13.759 -169.533 -95.0187 -92.2277 -95.018 -108.915 GPRESSURE: 708000 -113.032 -33.6898 -131.637 18.7029 -132.757 -91.2359 -129.619 -99.2587 -87.9663 PRESSAVG: 708000 -69.2399 12.5954 -10.9542 12.5954 19.4459 -13.3652 -10.9543 -13.3652 57.1632 GPRESSAVG: 708000 -69.3223 13.743 -10.3022 11.2263 20.1276 -13.8559 -11.688 -11.5025 56.4368 TIMING: 708000 CPU: 2049.42, 0.0029187/step Wall: 2049.42, 0.0029187/step, 3.47974 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 708000 794.7699 2091.8094 1934.1997 111.0358 -206271.9148 17626.1609 0.0000 0.0000 34057.2329 -149656.7062 297.4303 -183713.9391 -149553.9623 298.3896 -141.4675 -111.2518 556027.7962 2.4564 2.4140 PRESSURE: 708200 -239.102 85.3013 178.129 85.301 57.374 77.6056 178.129 77.6054 249.144 GPRESSURE: 708200 -124.588 149.775 147.967 43.2548 49.6614 70.997 248.753 122.851 211.2 PRESSAVG: 708200 -75.9925 78.3748 -18.408 78.3748 55.766 -64.4534 -18.408 -64.4534 -8.24086 GPRESSAVG: 708200 -76.3522 77.6353 -20.0084 79.7583 54.8968 -65.9407 -19.0498 -64.1416 -7.69185 TIMING: 708200 CPU: 2050, 0.00290727/step Wall: 2050, 0.00290727/step, 3.46595 hours remaining, 207.699219 MB of memory in use. ENERGY: 708200 708.0655 2089.2496 1980.5555 104.3614 -205967.5958 17572.6769 0.0000 0.0000 34129.4043 -149383.2827 298.0606 -183512.6869 -149286.6023 298.4642 22.4720 45.4246 554711.1998 -9.4892 -9.7157 LDB: ============= START OF LOAD BALANCING ============== 2053.39 LDB: ============== END OF LOAD BALANCING =============== 2053.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2053.39 LDB: ============= START OF LOAD BALANCING ============== 2053.68 LDB: Largest compute 4820 load 0.027426 is 23.3% of average load 0.117886 LDB: Average compute 0.001717 is 1.5% of average load 0.117886 LDB: TIME 2053.68 LOAD: AVG 0.117886 MAX 0.186538 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 2053.69 LOAD: AVG 0.117886 MAX 0.186538 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 2053.69 LOAD: AVG 0.117886 MAX 0.186538 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 2053.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2053.69 PRESSURE: 708400 40.0291 86.1097 -122.378 86.1096 -88.2413 12.3136 -122.377 12.313 -34.6716 GPRESSURE: 708400 55.4557 46.398 -55.8586 65.7041 -31.2021 54.6754 -139.31 -28.4256 -2.03772 PRESSAVG: 708400 -9.9533 9.19991 0.917267 9.1999 14.5636 -13.3307 0.917214 -13.3306 22.1131 GPRESSAVG: 708400 -9.6495 7.95383 3.98241 7.14945 15.9752 -12.7818 0.551383 -13.2682 20.5731 TIMING: 708400 CPU: 2050.6, 0.00298092/step Wall: 2050.6, 0.00298092/step, 3.55359 hours remaining, 206.246094 MB of memory in use. ENERGY: 708400 746.9402 2047.7319 1941.0987 112.8105 -206333.3471 17821.3012 0.0000 0.0000 34266.7914 -149396.6732 299.2604 -183663.4646 -149301.3760 298.7471 -27.6280 7.4053 556960.6562 8.9078 8.9663 PRESSURE: 708600 -115.188 91.786 -129.355 91.784 -26.708 -29.7051 -129.354 -29.704 -89.3777 GPRESSURE: 708600 -56.2651 98.5568 -144.457 114.337 39.3731 -44.8059 -86.8035 32.024 -110.846 PRESSAVG: 708600 19.0737 -51.0668 3.59287 -51.0668 -7.12673 -18.5508 3.59284 -18.5508 -35.112 GPRESSAVG: 708600 18.84 -48.6284 3.31554 -49.6921 -7.49344 -20.0921 4.72987 -18.5046 -34.8089 TIMING: 708600 CPU: 2051.18, 0.00292874/step Wall: 2051.18, 0.00292874/step, 3.49122 hours remaining, 206.386719 MB of memory in use. ENERGY: 708600 754.1596 2060.2283 1952.4172 115.8595 -206022.3912 17649.4338 0.0000 0.0000 34088.9589 -149401.3339 297.7074 -183490.2928 -149309.6608 298.7045 -77.0913 -42.5793 556593.2350 -7.7217 -7.8208 PRESSURE: 708800 -129.529 19.9368 24.5985 19.9379 -163.943 -73.4883 24.5998 -73.4864 -34.6498 GPRESSURE: 708800 -121.611 -36.2472 17.8211 -10.5182 -124.468 -58.6709 69.5116 -127.967 13.5485 PRESSAVG: 708800 34.6337 -15.1042 17.725 -15.1042 17.2706 62.498 17.725 62.498 -28.9797 GPRESSAVG: 708800 33.6429 -14.916 16.8514 -16.6452 16.4967 62.6927 17.171 62.5111 -27.5092 TIMING: 708800 CPU: 2051.76, 0.00289696/step Wall: 2051.76, 0.00289697/step, 3.45318 hours remaining, 206.386719 MB of memory in use. ENERGY: 708800 708.6813 2095.5788 1993.0915 123.0805 -206196.8660 17604.7684 0.0000 0.0000 34303.1608 -149368.5047 299.5780 -183671.6655 -149273.1545 298.8204 -109.3740 -77.5102 557763.1581 7.6415 7.5435 PRESSURE: 709000 177.98 67.1294 -44.9974 67.1287 97.1908 233.055 -44.9985 233.055 10.1733 GPRESSURE: 709000 231.885 30.2563 41.12 63.7992 103.848 180.236 -164.318 215.523 46.5763 PRESSAVG: 709000 -20.7244 25.6013 56.7232 25.6014 65.5952 7.85663 56.7231 7.85666 -36.1683 GPRESSAVG: 709000 -21.0437 24.1258 56.0059 25.4871 66.085 9.77262 54.4085 6.41164 -36.7297 TIMING: 709000 CPU: 2052.34, 0.00288367/step Wall: 2052.34, 0.00288367/step, 3.43717 hours remaining, 206.386719 MB of memory in use. ENERGY: 709000 729.5608 2097.1816 1956.9119 123.5931 -206403.3904 17848.0089 0.0000 0.0000 34183.6746 -149464.4595 298.5345 -183648.1341 -149379.3379 298.8076 95.1146 127.4365 556132.9013 2.9008 2.7705 PRESSURE: 709200 103.662 -91.9231 52.4364 -91.9234 -95.5904 -67.9606 52.4367 -67.9603 159.328 GPRESSURE: 709200 89.6235 -91.5018 57.6078 -91.0298 -9.92996 -39.8909 46.8169 -138.554 193.129 PRESSAVG: 709200 -85.0575 -7.99208 -16.2845 -7.99209 19.6414 -18.6564 -16.2847 -18.6564 26.9482 GPRESSAVG: 709200 -85.811 -6.63646 -15.2348 -9.03695 19.7696 -19.3224 -14.6036 -17.8525 27.3964 TIMING: 709200 CPU: 2052.92, 0.00290293/step Wall: 2052.92, 0.00290293/step, 3.45997 hours remaining, 206.386719 MB of memory in use. ENERGY: 709200 737.8551 2147.5399 1932.4129 112.9197 -206358.2386 17912.6825 0.0000 0.0000 33938.7907 -149576.0378 296.3959 -183514.8285 -149479.6814 297.6398 55.7998 90.9410 556746.2003 -12.8226 -12.8817 PRESSURE: 709400 451.29 117.499 68.5578 117.499 15.8594 -0.227331 68.5584 -0.22822 301.231 GPRESSURE: 709400 522.275 96.5377 80.4553 102.916 40.0144 21.1387 131.394 1.81258 299.628 PRESSAVG: 709400 -44.2537 25.9071 -61.3549 25.907 43.0855 10.0001 -61.3548 10.0002 -20.9198 GPRESSAVG: 709400 -44.5294 26.0737 -60.5215 26.7299 43.0106 9.70127 -60.099 11.5378 -20.5778 TIMING: 709400 CPU: 2053.5, 0.002904/step Wall: 2053.5, 0.002904/step, 3.46108 hours remaining, 206.386719 MB of memory in use. ENERGY: 709400 736.6448 2125.9302 1957.6613 119.9211 -206470.5947 18071.9379 0.0000 0.0000 33837.7800 -149620.7193 295.5137 -183458.4993 -149533.2867 297.7227 256.1266 287.3059 555594.8342 -7.3627 -7.3655 PRESSURE: 709600 -16.4741 -146.418 -122.705 -146.419 -98.5612 -36.1262 -122.706 -36.1262 -33.8422 GPRESSURE: 709600 4.79079 -125.097 -168.303 -160.078 -36.2572 -6.06202 -22.7306 0.775835 -23.7528 PRESSAVG: 709600 3.79136 69.7997 33.9265 69.7996 70.3867 -38.5633 33.9265 -38.5633 -77.7782 GPRESSAVG: 709600 3.84066 67.596 33.7195 70.4748 71.0379 -37.9634 32.8956 -39.9133 -78.9331 TIMING: 709600 CPU: 2054.07, 0.00287733/step Wall: 2054.07, 0.00287733/step, 3.42914 hours remaining, 206.386719 MB of memory in use. ENERGY: 709600 747.3862 2150.1617 1950.5640 121.8029 -206204.4867 17670.2892 0.0000 0.0000 34014.8691 -149549.4136 297.0603 -183564.2827 -149458.4302 297.6169 -49.6258 -18.4064 555895.7451 -1.2000 -1.3515 PRESSURE: 709800 -235.247 93.2045 94.0526 93.2044 -33.3646 178.942 94.0534 178.941 111.401 GPRESSURE: 709800 -194.913 111.975 20.8259 65.6183 -82.0985 129.68 59.4703 176.783 225.863 PRESSAVG: 709800 54.874 -17.8973 -70.0138 -17.8974 5.13522 16.3148 -70.0139 16.3148 -49.2622 GPRESSAVG: 709800 54.9976 -17.3254 -70.3458 -18.4106 3.63741 15.0088 -68.0988 17.2869 -48.0446 TIMING: 709800 CPU: 2054.65, 0.00288467/step Wall: 2054.65, 0.00288467/step, 3.43772 hours remaining, 206.386719 MB of memory in use. ENERGY: 709800 756.7622 2077.7380 1956.6904 109.4182 -206193.5785 17672.4258 0.0000 0.0000 34158.2950 -149462.2491 298.3129 -183620.5441 -149368.7626 298.7297 -52.4033 -17.0496 555868.0914 3.5823 3.5301 PRESSURE: 710000 -49.0982 127.235 -7.491 127.237 99.2846 109.291 -7.49121 109.293 175.726 GPRESSURE: 710000 50.5136 49.5936 12.7623 212.841 89.2157 120.037 -57.0314 140.547 169.92 PRESSAVG: 710000 -48.3542 2.97177 -15.0849 2.97176 45.0087 1.427 -15.0849 1.42719 -12.6994 GPRESSAVG: 710000 -48.6146 4.22589 -14.4147 2.98128 44.8835 2.51558 -17.9629 1.50619 -12.6287 TIMING: 710000 CPU: 2055.22, 0.00286665/step Wall: 2055.22, 0.00286665/step, 3.41609 hours remaining, 206.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 710000 723.3991 2132.9896 1925.5965 110.5457 -206468.9067 17995.8019 0.0000 0.0000 34296.8625 -149283.7115 299.5230 -183580.5740 -149188.2547 299.5277 75.3041 103.2163 556994.1156 -5.3483 -5.4533 PRESSURE: 710200 55.7408 -122.445 -12.7682 -122.445 -50.0584 55.3064 -12.7691 55.3068 49.9016 GPRESSURE: 710200 63.5362 -43.9744 -26.2167 -180.337 -70.7416 28.835 37.9349 111.506 162.232 PRESSAVG: 710200 24.7468 -35.4769 -9.34701 -35.4769 27.9383 3.00956 -9.34695 3.00951 -50.3497 GPRESSAVG: 710200 25.7173 -36.9734 -12.2603 -35.6074 28.2283 3.64257 -7.60116 2.57564 -52.0477 TIMING: 710200 CPU: 2055.8, 0.00288213/step Wall: 2055.8, 0.00288213/step, 3.43438 hours remaining, 206.386719 MB of memory in use. ENERGY: 710200 728.0567 2111.9162 1945.3894 113.8333 -206209.0563 17787.6446 0.0000 0.0000 34352.0694 -149170.1468 300.0052 -183522.2161 -149080.3492 299.6109 18.5280 51.6756 556337.6373 0.7785 0.6327 PRESSURE: 710400 -20.918 36.1976 -57.6132 36.1982 32.9199 -142.993 -57.6136 -142.992 83.5052 GPRESSURE: 710400 17.9833 -5.89293 -138.778 59.5843 28.6815 -102.669 -114.477 -121.009 156.698 PRESSAVG: 710400 6.25817 -11.874 59.6854 -11.8741 10.753 10.7681 59.6853 10.768 32.777 GPRESSAVG: 710400 5.45 -13.8575 62.6803 -11.0521 9.60123 10.3026 56.1326 9.91999 33.8735 TIMING: 710400 CPU: 2056.38, 0.00288465/step Wall: 2056.38, 0.00288465/step, 3.43722 hours remaining, 206.386719 MB of memory in use. ENERGY: 710400 781.6537 2133.0686 1977.8941 105.7045 -206174.1876 17823.0938 0.0000 0.0000 34201.6005 -149151.1723 298.6911 -183352.7729 -149052.0605 299.2578 31.8357 67.7876 556957.3273 16.5961 16.3082 PRESSURE: 710600 -159.465 133.032 8.91446 133.033 -196.342 21.3824 8.91379 21.3827 -282.367 GPRESSURE: 710600 -109.146 15.619 -100.633 173.04 -208.83 32.5989 40.0458 18.9514 -213.748 PRESSAVG: 710600 4.82341 22.3223 -1.07861 22.3223 -47.5158 4.36893 -1.07844 4.36898 24.3196 GPRESSAVG: 710600 4.4098 26.018 -1.75519 21.0286 -47.7385 4.63209 2.91884 5.07325 25.4773 TIMING: 710600 CPU: 2056.96, 0.00288388/step Wall: 2056.96, 0.00288388/step, 3.43614 hours remaining, 206.386719 MB of memory in use. ENERGY: 710600 758.7530 2147.2654 1946.9588 124.1429 -205678.8447 17362.3885 0.0000 0.0000 34292.9194 -149046.4167 299.4886 -183339.3361 -148948.8576 299.1606 -212.7246 -177.2414 557628.6329 -6.1243 -5.9505 PRESSURE: 710800 -156.443 142.49 45.2136 142.49 -73.4138 123.876 45.2139 123.875 -176.103 GPRESSURE: 710800 -165.765 115.604 27.0769 132.597 10.0529 121.574 104.93 23.7182 -171.874 PRESSAVG: 710800 -13.3689 -57.2417 -13.1071 -57.2417 -34.6392 -45.1699 -13.1072 -45.17 27.8482 GPRESSAVG: 710800 -14.3173 -57.8745 -14.4302 -57.2092 -32.9636 -44.5266 -13.8398 -47.1109 27.233 TIMING: 710800 CPU: 2057.54, 0.00290458/step Wall: 2057.54, 0.00290458/step, 3.46064 hours remaining, 206.386719 MB of memory in use. ENERGY: 710800 712.4645 2059.4816 1965.6782 119.6303 -205803.1409 17555.9248 0.0000 0.0000 34282.6724 -149107.2891 299.3991 -183389.9615 -149008.6843 299.9429 -135.3201 -109.1954 558206.2303 -6.7200 -6.6826 PRESSURE: 711000 443.277 -18.7491 -59.0651 -18.7496 218.239 -18.1421 -59.0649 -18.1433 227.92 GPRESSURE: 711000 528.148 -59.8896 -12.5322 -18.6724 196.422 -190.595 -62.5928 -58.7712 254.084 PRESSAVG: 711000 48.718 -30.1108 -38.4122 -30.1108 -36.8672 -41.6719 -38.4121 -41.6719 2.57576 GPRESSAVG: 711000 50.3219 -30.9968 -37.706 -29.6525 -38.4292 -43.5941 -39.775 -41.2845 2.41193 TIMING: 711000 CPU: 2058.12, 0.00290008/step Wall: 2058.12, 0.00290008/step, 3.45512 hours remaining, 206.386719 MB of memory in use. ENERGY: 711000 745.1900 2109.6699 1967.5767 118.1428 -206431.4639 18095.9069 0.0000 0.0000 34383.4968 -149011.4806 300.2796 -183394.9774 -148916.5159 299.7892 296.4788 326.2182 556460.6954 4.8088 4.7682 PRESSURE: 711200 77.0533 -113.645 24.0024 -113.644 82.0252 47.0253 24.0025 47.0255 66.2189 GPRESSURE: 711200 117.34 -51.5878 -48.131 -158.207 130.991 113.595 -42.887 43.8879 68.3231 PRESSAVG: 711200 32.6574 7.71389 -23.4289 7.71392 -32.4283 9.42288 -23.4289 9.42286 -28.2481 GPRESSAVG: 711200 32.4481 8.29891 -25.0831 7.13689 -31.4086 10.733 -20.9437 10.6843 -28.8766 TIMING: 711200 CPU: 2058.7, 0.00290423/step Wall: 2058.7, 0.00290423/step, 3.45991 hours remaining, 206.386719 MB of memory in use. ENERGY: 711200 758.9603 2053.6952 1968.2816 125.6891 -206475.1713 17936.9363 0.0000 0.0000 34314.6660 -149316.9427 299.6785 -183631.6087 -149215.8159 299.1453 75.0991 105.5513 556755.8650 -9.3397 -9.2790 PRESSURE: 711400 -75.3616 18.6182 94.9272 18.6178 -41.7163 -216.143 94.9264 -216.145 249.329 GPRESSURE: 711400 -19.6275 -51.0342 136.991 9.00487 -19.5019 -189.984 34.5326 -186.061 267.886 PRESSAVG: 711400 13.7104 -47.051 11.4662 -47.051 -7.59694 -75.8065 11.4662 -75.8065 -11.8216 GPRESSAVG: 711400 12.585 -47.2726 13.7731 -45.7343 -8.57169 -75.3388 9.3827 -76.8227 -10.3772 TIMING: 711400 CPU: 2059.28, 0.00290789/step Wall: 2059.28, 0.00290789/step, 3.4641 hours remaining, 206.386719 MB of memory in use. ENERGY: 711400 751.8104 2084.5730 1941.3880 104.9595 -206335.3692 17831.8351 0.0000 0.0000 34237.6567 -149383.1466 299.0060 -183620.8033 -149289.6563 298.8222 44.0839 76.2521 557129.2713 -1.9027 -2.1213 PRESSURE: 711600 -28.5755 -90.5975 69.6009 -90.5969 -163.325 266.134 69.601 266.134 -14.276 GPRESSURE: 711600 -26.5668 -11.1411 -3.54315 -55.5663 -152.488 248.677 84.3248 275.012 72.8397 PRESSAVG: 711600 -26.472 -20.695 31.0704 -20.695 -44.9819 -17.1274 31.0703 -17.1273 77.8323 GPRESSAVG: 711600 -25.0652 -19.5835 29.581 -22.1569 -45.0463 -18.3146 31.3986 -16.1652 76.7655 TIMING: 711600 CPU: 2059.86, 0.00291054/step Wall: 2059.86, 0.00291054/step, 3.4671 hours remaining, 206.386719 MB of memory in use. ENERGY: 711600 713.0176 2034.0218 1947.6369 114.8841 -206209.8442 17696.1145 0.0000 0.0000 34331.7745 -149372.3948 299.8279 -183704.1693 -149270.9143 299.9226 -68.7257 -35.4049 556727.0606 2.1261 2.2180 PRESSURE: 711800 -236.462 15.7466 -170.089 15.7465 71.7224 15.9639 -170.089 15.9641 -182.104 GPRESSURE: 711800 -155.931 61.1412 -118.074 -55.0069 58.3219 13.6065 -189.973 41.6965 -159.258 PRESSAVG: 711800 44.0149 1.5905 -12.2152 1.59043 55.3622 -26.6593 -12.2153 -26.6592 -37.7976 GPRESSAVG: 711800 43.4106 0.0350773 -11.5297 3.05396 56.1194 -25.9585 -12.1916 -27.5202 -37.601 TIMING: 711800 CPU: 2060.44, 0.0029119/step Wall: 2060.44, 0.0029119/step, 3.46856 hours remaining, 206.386719 MB of memory in use. ENERGY: 711800 751.7219 2050.3651 1941.2570 107.6619 -206188.6425 17816.5948 0.0000 0.0000 34133.1261 -149387.9157 298.0931 -183521.0418 -149293.4529 299.3124 -115.6145 -85.6226 556683.0874 20.5265 20.6430 PRESSURE: 712000 27.5484 -129.49 -15.6242 -129.49 354.476 5.41847 -15.624 5.41861 53.0908 GPRESSURE: 712000 55.9445 -133.192 -15.6204 -100.911 349.452 -8.89692 48.9277 -89.5325 123.68 PRESSAVG: 712000 -6.59295 -24.6254 -3.39814 -24.6253 42.7355 -18.8653 -3.39808 -18.8653 -15.8437 GPRESSAVG: 712000 -6.03229 -25.2113 -3.03331 -28.4722 41.5204 -18.8784 -4.20853 -17.7058 -15.2507 TIMING: 712000 CPU: 2061.02, 0.00288753/step Wall: 2061.02, 0.00288753/step, 3.43937 hours remaining, 206.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 712000 676.2259 2086.2560 1956.3028 105.2920 -206568.9608 17983.3158 0.0000 0.0000 34427.0614 -149334.5069 300.6601 -183761.5683 -149235.3463 298.9849 145.0384 176.3588 556374.2401 6.7663 6.7458 PRESSURE: 712200 -246.295 -248.956 106.938 -248.957 -11.7741 29.3448 106.938 29.3462 16.1595 GPRESSURE: 712200 -185.724 -257.224 160.619 -198.136 46.4117 77.9646 19.6656 58.8893 -9.21813 PRESSAVG: 712200 13.2363 -5.42381 -13.5775 -5.42379 10.2051 -41.9213 -13.5774 -41.9213 -7.92591 GPRESSAVG: 712200 13.4657 -2.31771 -14.3692 -3.65082 11.2686 -44.6765 -13.8146 -39.6871 -8.86775 TIMING: 712200 CPU: 2061.6, 0.00289707/step Wall: 2061.6, 0.00289707/step, 3.45057 hours remaining, 206.386719 MB of memory in use. ENERGY: 712200 711.2101 2125.7506 1956.1700 109.9282 -206092.2200 17627.0846 0.0000 0.0000 34190.2241 -149371.8524 298.5917 -183562.0765 -149268.6421 298.5903 -80.6367 -49.5101 557741.1767 5.1718 5.2888 LDB: ============= START OF LOAD BALANCING ============== 2064.99 LDB: ============== END OF LOAD BALANCING =============== 2064.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2064.99 LDB: ============= START OF LOAD BALANCING ============== 2065.28 LDB: Largest compute 4820 load 0.028788 is 24.4% of average load 0.117871 LDB: Average compute 0.001720 is 1.5% of average load 0.117871 LDB: TIME 2065.28 LOAD: AVG 0.117871 MAX 0.188168 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 2065.28 LOAD: AVG 0.117871 MAX 0.188168 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 2065.28 LOAD: AVG 0.117871 MAX 0.188168 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2065.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2065.29 PRESSURE: 712400 -165.121 16.1632 -41.0908 16.1631 215.365 -77.9383 -41.0907 -77.9389 205.736 GPRESSURE: 712400 -77.1868 43.3431 -6.87447 -9.55567 242.755 -56.0697 -134.282 -2.63025 184.001 PRESSAVG: 712400 -31.8937 -2.67759 15.2649 -2.67763 -32.0896 -18.2843 15.2649 -18.2843 50.7353 GPRESSAVG: 712400 -32.1224 -4.06247 16.2138 -2.06629 -31.6101 -15.6526 16.5482 -21.2551 50.8622 TIMING: 712400 CPU: 2062.19, 0.00296629/step Wall: 2062.19, 0.00296629/step, 3.53285 hours remaining, 208.105469 MB of memory in use. ENERGY: 712400 765.3550 2106.2534 1953.0445 131.8437 -206641.0055 17928.8741 0.0000 0.0000 34371.4931 -149384.1416 300.1748 -183755.6348 -149288.6111 299.1835 85.3269 116.5233 557269.0014 -4.4160 -4.2901 PRESSURE: 712600 -176.043 55.6187 125.203 55.6203 -240.851 90.0142 125.204 90.0136 -300.658 GPRESSURE: 712600 -138.959 61.9592 37.6056 53.7856 -250.432 40.7866 191.018 122.983 -252.905 PRESSAVG: 712600 21.3094 -3.20012 8.67504 -3.20014 -14.1338 25.7271 8.67509 25.7272 16.3652 GPRESSAVG: 712600 21.6739 -5.19621 8.09871 -1.29635 -13.2359 24.3446 9.62922 26.7311 15.612 TIMING: 712600 CPU: 2062.78, 0.00291193/step Wall: 2062.78, 0.00291193/step, 3.46794 hours remaining, 208.175781 MB of memory in use. ENERGY: 712600 761.4673 2096.3378 1937.1376 113.4970 -206272.4979 17646.7264 0.0000 0.0000 34219.6069 -149497.7249 298.8483 -183717.3318 -149406.4185 299.0222 -239.1841 -214.0987 557511.7867 7.8469 8.0167 PRESSURE: 712800 -80.1517 74.9725 -89.7596 74.9698 -310.662 172.11 -89.7602 172.11 -122.298 GPRESSURE: 712800 -57.2305 123.015 -52.3632 47.6409 -258.352 203.523 -104.07 121.579 -94.8597 PRESSAVG: 712800 15.9768 15.5533 -5.73064 15.5533 14.9053 -44.5774 -5.73061 -44.5773 -8.99473 GPRESSAVG: 712800 15.6144 15.9934 -6.2258 15.1473 13.006 -42.7957 -5.92131 -45.8918 -6.37548 TIMING: 712800 CPU: 2063.36, 0.00290799/step Wall: 2063.36, 0.00290799/step, 3.46309 hours remaining, 208.175781 MB of memory in use. ENERGY: 712800 741.9641 2137.3320 1948.5501 112.3168 -206142.4257 17603.7757 0.0000 0.0000 34220.5470 -149377.9399 298.8565 -183598.4869 -149283.1171 298.7323 -171.0372 -136.8142 557215.0919 7.2958 7.4150 PRESSURE: 713000 8.78781 7.02077 32.2246 7.02102 98.8368 -154.615 32.2248 -154.616 134.376 GPRESSURE: 713000 104.65 41.7251 -46.3128 3.63952 86.0737 -288.547 71.9544 -89.8145 142.382 PRESSAVG: 713000 19.5168 53.1546 -65.4783 53.1546 22.3354 64.3016 -65.4782 64.3016 -38.9184 GPRESSAVG: 713000 20.6816 51.7213 -65.3837 52.5004 21.7206 61.6117 -66.1822 65.0409 -39.1255 TIMING: 713000 CPU: 2063.94, 0.00289879/step Wall: 2063.94, 0.00289879/step, 3.45197 hours remaining, 208.175781 MB of memory in use. ENERGY: 713000 777.9973 2101.1638 1958.7460 117.8465 -206447.7950 18023.3862 0.0000 0.0000 34098.1555 -149370.4997 297.7877 -183468.6551 -149281.1667 298.6347 80.6667 111.0353 558221.1074 0.9780 1.0922 PRESSURE: 713200 -98.0083 -13.711 -21.455 -13.7102 -3.41987 192.619 -21.4545 192.618 -149.329 GPRESSURE: 713200 -20.6657 -1.8942 -52.4643 -1.08133 -14.1217 140.825 -67.0269 231.394 -110.524 PRESSAVG: 713200 41.5175 -10.6144 7.96647 -10.6144 -13.7631 28.3395 7.96647 28.3396 9.12708 GPRESSAVG: 713200 40.8766 -9.62242 7.09753 -9.13943 -12.4431 28.614 7.91148 29.2726 8.06854 TIMING: 713200 CPU: 2064.52, 0.00290635/step Wall: 2064.52, 0.00290635/step, 3.46081 hours remaining, 208.175781 MB of memory in use. ENERGY: 713200 756.3683 2088.6607 1928.3375 107.9895 -206108.1217 17632.4291 0.0000 0.0000 34132.0780 -149462.2586 298.0839 -183594.3366 -149372.7838 298.2750 -83.5856 -48.4371 557520.2880 12.2938 12.1674 PRESSURE: 713400 56.356 -109.053 -22.1246 -109.053 22.7803 95.619 -22.1255 95.6189 -193.108 GPRESSURE: 713400 62.1059 -83.5608 54.0698 -82.1294 37.2196 58.3565 1.66422 61.0634 -112.128 PRESSAVG: 713400 -1.68213 12.2922 -43.0004 12.2922 47.8792 48.4364 -43.0003 48.4363 -11.1978 GPRESSAVG: 713400 -1.36657 14.7848 -40.3572 10.0937 47.8408 49.6578 -45.2335 47.6072 -10.9993 TIMING: 713400 CPU: 2065.1, 0.00290667/step Wall: 2065.1, 0.00290667/step, 3.46104 hours remaining, 208.175781 MB of memory in use. ENERGY: 713400 780.9903 2057.8373 1961.8573 113.3337 -206655.0846 17889.0833 0.0000 0.0000 34214.1121 -149637.8707 298.8004 -183851.9828 -149533.2484 297.5582 -37.9905 -4.2675 555852.4283 11.6664 11.8250 PRESSURE: 713600 -191.582 23.2115 -83.4013 23.2108 137.722 35.1965 -83.3994 35.195 100.589 GPRESSURE: 713600 -155.863 -27.0733 -6.27719 50.5301 157.042 -13.1992 -87.9218 74.0974 136.287 PRESSAVG: 713600 -20.372 15.1125 -8.4161 15.1125 38.1172 27.9515 -8.41608 27.9515 3.33946 GPRESSAVG: 713600 -19.6227 13.1025 -7.11849 16.8464 38.2191 26.8769 -7.91256 28.7619 2.55409 TIMING: 713600 CPU: 2065.68, 0.00290988/step Wall: 2065.68, 0.00290988/step, 3.4647 hours remaining, 208.175781 MB of memory in use. ENERGY: 713600 744.1597 2088.5338 1974.9888 110.0005 -206410.6108 17847.6780 0.0000 0.0000 34022.8900 -149622.3600 297.1304 -183645.2500 -149526.2352 298.4170 15.5764 45.8218 555911.4975 7.0282 7.0501 PRESSURE: 713800 124.314 -25.0856 10.0389 -25.0839 -71.3465 -127.872 10.0395 -127.874 69.3686 GPRESSURE: 713800 156.085 -36.6466 -57.5733 9.22553 -32.127 -134.43 5.8935 -17.8296 94.8835 PRESSAVG: 713800 -17.3923 6.17572 5.45319 6.17574 28.0109 6.85991 5.45313 6.85991 22.2166 GPRESSAVG: 713800 -17.1733 8.406 1.01073 4.99475 28.0232 7.55043 4.40009 7.66992 22.0369 TIMING: 713800 CPU: 2066.26, 0.00291343/step Wall: 2066.26, 0.00291343/step, 3.46877 hours remaining, 208.175781 MB of memory in use. ENERGY: 713800 709.0862 2079.8482 1960.0504 115.4086 -207233.5487 18173.4020 0.0000 0.0000 34471.6342 -149724.1191 301.0494 -184195.7533 -149627.2701 298.2379 40.7788 72.9471 556997.6589 10.9451 10.9623 PRESSURE: 714000 214.653 -221.597 138.273 -221.596 -51.6651 22.8917 138.273 22.8927 151.408 GPRESSURE: 714000 270.9 -233.073 73.4222 -191.452 -34.2897 136.381 165.583 -88.6269 164.052 PRESSAVG: 714000 67.4434 -57.1617 51.5152 -57.1618 -66.0132 25.8566 51.5153 25.8566 44.0142 GPRESSAVG: 714000 65.6034 -58.0989 51.1548 -56.5399 -65.5542 25.8735 54.3353 22.4905 45.2581 TIMING: 714000 CPU: 2066.85, 0.00292276/step Wall: 2066.85, 0.00292276/step, 3.47971 hours remaining, 208.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 714000 706.8830 2065.1309 1970.7582 108.9761 -206616.3812 18056.2022 0.0000 0.0000 34111.5543 -149596.8766 297.9047 -183708.4309 -149499.0127 297.9661 104.7988 133.5542 557771.4627 15.1481 15.1024 PRESSURE: 714200 43.7615 136.161 47.7505 136.16 32.4597 35.7609 47.7513 35.7625 -59.0495 GPRESSURE: 714200 133.036 152.968 27.1339 55.6402 30.8857 16.888 -72.3391 35.0832 -58.8428 PRESSAVG: 714200 22.7226 -5.32761 16.0074 -5.32756 48.8962 0.880296 16.0073 0.880238 -73.8624 GPRESSAVG: 714200 24.3298 -5.14138 16.8579 -7.91038 48.1551 -0.200492 15.3684 3.17696 -74.2646 TIMING: 714200 CPU: 2067.43, 0.00292017/step Wall: 2067.43, 0.00292017/step, 3.47646 hours remaining, 208.175781 MB of memory in use. ENERGY: 714200 763.0955 2059.4620 1974.3960 117.3424 -206401.0828 17722.8166 0.0000 0.0000 34031.2041 -149732.7661 297.2030 -183763.9703 -149635.9952 297.7013 5.7239 35.0262 555794.6301 -0.7479 -0.5933 PRESSURE: 714400 -57.7933 -39.6188 190.211 -39.6182 -393.321 -79.0545 190.21 -79.0561 -25.6543 GPRESSURE: 714400 -65.0512 35.1335 140.655 -59.6352 -340.214 -121.344 207.911 -107.159 19.3975 PRESSAVG: 714400 -52.6721 23.7828 4.52833 23.7828 30.9221 3.0781 4.52833 3.07807 -8.89247 GPRESSAVG: 714400 -53.5725 23.7656 3.68082 24.9508 31.6704 6.6373 5.30963 1.33567 -8.62452 TIMING: 714400 CPU: 2068.02, 0.00292152/step Wall: 2068.02, 0.00292152/step, 3.47791 hours remaining, 208.175781 MB of memory in use. ENERGY: 714400 731.8911 2088.6907 1954.5989 125.2938 -206239.8186 17539.3239 0.0000 0.0000 34048.9393 -149751.0808 297.3579 -183800.0201 -149650.9967 298.0692 -158.9229 -128.6224 557617.0982 -10.2142 -10.1755 PRESSURE: 714600 -29.5333 -8.39219 -13.1497 -8.39305 -101.718 -16.2109 -13.1496 -16.2114 -249.004 GPRESSURE: 714600 6.76894 -15.7771 -31.023 -43.602 -108.481 -27.0491 -46.635 -32.2116 -187.185 PRESSAVG: 714600 39.3459 -57.3813 16.3251 -57.3813 5.10399 -0.802275 16.3251 -0.802219 -11.4133 GPRESSAVG: 714600 40.0526 -58.0642 18.22 -57.1428 4.6468 -2.01971 14.5791 -1.21736 -11.7534 TIMING: 714600 CPU: 2068.6, 0.00291324/step Wall: 2068.6, 0.00291324/step, 3.46788 hours remaining, 208.175781 MB of memory in use. ENERGY: 714600 704.9185 2161.8646 1946.7077 109.1954 -206272.4689 17735.7907 0.0000 0.0000 34265.8834 -149348.1087 299.2525 -183613.9921 -149250.2693 298.4615 -126.7516 -96.2992 558688.0375 11.0122 10.9820 PRESSURE: 714800 -133.793 -26.8238 -16.9949 -26.8243 22.3015 -127.636 -16.9936 -127.635 90.6529 GPRESSURE: 714800 -72.2842 -61.2446 -45.8208 33.1355 39.2034 -16.2607 -8.68034 -137.837 122.283 PRESSAVG: 714800 46.7668 -7.35462 60.1244 -7.3546 17.9839 -11.6551 60.1244 -11.655 -37.2612 GPRESSAVG: 714800 46.1857 -7.92144 59.6588 -5.98955 17.6206 -14.6402 59.3944 -9.62332 -36.5281 TIMING: 714800 CPU: 2069.19, 0.00292836/step Wall: 2069.19, 0.00292836/step, 3.48572 hours remaining, 208.175781 MB of memory in use. ENERGY: 714800 737.1189 2082.7738 1940.7418 124.7969 -206323.5850 18001.5004 0.0000 0.0000 34071.1185 -149365.5347 297.5516 -183436.6532 -149274.2636 298.7301 -6.9461 29.7341 558504.5111 9.1632 9.0927 PRESSURE: 715000 -75.858 -74.1803 186.669 -74.1803 -157.887 35.0719 186.668 35.0724 -364.409 GPRESSURE: 715000 -9.2006 -86.6925 216.631 -53.3253 -188.789 45.164 92.0376 23.031 -308.057 PRESSAVG: 715000 19.2974 -25.0677 9.80904 -25.0677 -40.1491 -29.9426 9.80901 -29.9426 18.3027 GPRESSAVG: 715000 18.6169 -22.6995 8.9175 -26.2606 -39.3869 -28.5988 12.4328 -29.3354 17.9611 TIMING: 715000 CPU: 2069.77, 0.00290204/step Wall: 2069.77, 0.00290204/step, 3.45423 hours remaining, 208.175781 MB of memory in use. ENERGY: 715000 760.9455 2081.3790 1966.5317 111.4174 -206110.5401 17666.8733 0.0000 0.0000 34237.2476 -149286.1456 299.0024 -183523.3932 -149186.9384 299.1947 -199.3846 -168.6823 558137.5220 -0.8497 -0.9363 PRESSURE: 715200 -59.7265 10.4833 56.482 10.4823 213.288 8.6352 56.4814 8.63626 99.1507 GPRESSURE: 715200 0.591642 -22.897 -0.928559 0.911725 201.882 23.8121 79.5693 -9.33359 147.797 PRESSAVG: 715200 44.8423 -54.761 7.56444 -54.7609 -33.24 -1.34351 7.56435 -1.34341 -23.3519 GPRESSAVG: 715200 44.4505 -55.3992 6.85692 -53.4173 -33.9585 -2.642 6.77477 -1.14084 -22.7554 TIMING: 715200 CPU: 2070.35, 0.00293579/step Wall: 2070.35, 0.00293579/step, 3.49424 hours remaining, 208.175781 MB of memory in use. ENERGY: 715200 749.3428 2087.6063 1997.7800 120.3651 -206650.4816 18121.0548 0.0000 0.0000 34260.6664 -149313.6662 299.2069 -183574.3327 -149218.9184 300.0321 84.2375 116.7570 556145.8647 -3.9165 -4.0878 PRESSURE: 715400 42.9946 59.4392 202.185 59.4403 -74.3858 -152.812 202.185 -152.81 -250.738 GPRESSURE: 715400 86.98 4.17041 232.526 153.604 -35.0466 -186.068 166.451 -109.966 -230.381 PRESSAVG: 715400 -26.2745 -15.06 -17.4609 -15.0599 62.5795 -35.0836 -17.461 -35.0836 -28.083 GPRESSAVG: 715400 -26.8348 -17.6822 -16.6149 -14.8099 63.1719 -35.3906 -18.3227 -35.6882 -28.4414 TIMING: 715400 CPU: 2070.94, 0.0029284/step Wall: 2070.94, 0.0029284/step, 3.48529 hours remaining, 208.175781 MB of memory in use. ENERGY: 715400 714.0281 2090.6807 1956.9354 118.1617 -205973.1898 17678.5669 0.0000 0.0000 34213.1814 -149201.6356 298.7922 -183414.8169 -149101.9930 299.5815 -94.0430 -59.4824 557723.0591 2.7407 2.6319 PRESSURE: 715600 -11.0227 18.9032 11.8136 18.9021 -13.0118 -9.23006 11.8135 -9.22831 64.6308 GPRESSURE: 715600 41.1157 44.8796 36.0569 -59.1654 27.2613 -103.322 -60.0284 76.9777 68.1348 PRESSAVG: 715600 -25.9877 -14.2819 40.1495 -14.282 5.41975 -40.1419 40.1495 -40.1419 13.3849 GPRESSAVG: 715600 -25.4701 -12.8244 39.369 -13.1986 5.03001 -39.1984 38.3645 -40.0239 13.1564 TIMING: 715600 CPU: 2071.52, 0.00290246/step Wall: 2071.52, 0.00290246/step, 3.45425 hours remaining, 208.175781 MB of memory in use. ENERGY: 715600 747.5398 2151.2033 1969.3143 122.4293 -206060.6344 17678.8208 0.0000 0.0000 34148.2626 -149243.0643 298.2253 -183391.3269 -149148.8789 299.6399 13.5321 45.5039 557547.1568 -2.3943 -2.4279 PRESSURE: 715800 -43.6778 99.4224 92.7703 99.4221 -139.718 -28.1051 92.7703 -28.1045 -426.383 GPRESSURE: 715800 -21.2725 119.438 13.4161 76.9233 -112.839 -51.664 175.057 -25.8949 -376.621 PRESSAVG: 715800 -21.5491 29.4505 26.6915 29.4505 -18.6621 -15.0974 26.6915 -15.0974 4.90147 GPRESSAVG: 715800 -21.8072 29.6851 27.6856 26.8164 -19.3398 -14.2954 26.6835 -14.2943 6.36324 TIMING: 715800 CPU: 2072.11, 0.00293014/step Wall: 2072.11, 0.00293014/step, 3.48703 hours remaining, 208.175781 MB of memory in use. ENERGY: 715800 772.5787 2079.0657 1972.5786 114.1616 -206131.9267 17406.1680 0.0000 0.0000 34459.7752 -149327.5989 300.9458 -183787.3741 -149231.9847 298.8815 -203.2597 -170.2440 557161.6451 -11.7699 -11.5946 PRESSURE: 716000 26.3877 -43.1076 11.6662 -43.1066 -117.133 188.002 11.6678 188.003 -368.057 GPRESSURE: 716000 23.5483 -42.5697 29.9411 -33.0697 -55.3795 219.732 -57.6292 138.749 -328.631 PRESSAVG: 716000 -12.1862 -3.67679 1.64035 -3.67685 19.0304 -0.71101 1.64035 -0.711082 18.1536 GPRESSAVG: 716000 -10.8127 -3.87691 1.92416 -1.10748 18.6024 -1.16589 2.07513 -2.82454 17.4941 TIMING: 716000 CPU: 2072.69, 0.00292154/step Wall: 2072.69, 0.00292153/step, 3.47663 hours remaining, 208.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 716000 720.1863 2085.4834 1954.2636 101.0094 -206084.5390 17505.1388 0.0000 0.0000 34461.2399 -149257.2174 300.9586 -183718.4574 -149147.8068 299.5820 -152.9341 -120.1541 555934.0513 8.3326 8.4279 PRESSURE: 716200 -124.312 -31.7736 44.1395 -31.773 -214.289 -88.6614 44.1383 -88.661 76.2796 GPRESSURE: 716200 -110.652 -14.9136 50.4226 -44.7291 -148.963 -57.2324 -13.5471 -56.0429 101.102 PRESSAVG: 716200 5.5241 -0.848412 5.60842 -0.848389 -62.765 33.2564 5.60844 33.2564 -9.11293 GPRESSAVG: 716200 4.77136 -1.74271 4.47331 -1.28144 -60.3052 32.2655 7.37066 33.7283 -11.2796 TIMING: 716200 CPU: 2073.27, 0.00289934/step Wall: 2073.27, 0.00289934/step, 3.45006 hours remaining, 208.175781 MB of memory in use. ENERGY: 716200 725.6540 2122.3569 1914.9801 115.0237 -205969.3534 17603.6231 0.0000 0.0000 34335.9019 -149151.8137 299.8640 -183487.7156 -149057.3561 298.7689 -87.4405 -52.8373 556965.7888 -22.1180 -22.2712 LDB: ============= START OF LOAD BALANCING ============== 2076.65 LDB: ============== END OF LOAD BALANCING =============== 2076.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2076.66 LDB: ============= START OF LOAD BALANCING ============== 2076.95 LDB: Largest compute 4820 load 0.026890 is 22.8% of average load 0.117837 LDB: Average compute 0.001716 is 1.5% of average load 0.117837 LDB: TIME 2076.95 LOAD: AVG 0.117837 MAX 0.186289 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.621 MB LDB: TIME 2076.95 LOAD: AVG 0.117837 MAX 0.186289 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.664 MB LDB: TIME 2076.95 LOAD: AVG 0.117837 MAX 0.186289 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.664 MB LDB: ============== END OF LOAD BALANCING =============== 2076.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2076.96 PRESSURE: 716400 -37.2074 -88.3407 205.626 -88.3416 -313.869 80.1831 205.625 80.183 -162.896 GPRESSURE: 716400 0.281043 -23.9159 146.055 -66.5419 -278.178 11.4492 123.622 132.187 -142.787 PRESSAVG: 716400 44.3017 -27.8524 -5.44198 -27.8524 -61.1952 9.35197 -5.44194 9.35188 48.2181 GPRESSAVG: 716400 43.7893 -26.5838 -4.01186 -27.3957 -61.8213 9.14374 -6.23235 10.4132 48.8233 TIMING: 716400 CPU: 2073.86, 0.0029541/step Wall: 2073.86, 0.0029541/step, 3.51505 hours remaining, 207.406250 MB of memory in use. ENERGY: 716400 801.9113 2083.9909 1961.9848 121.4805 -205910.0882 17616.8263 0.0000 0.0000 34325.4199 -148998.4747 299.7724 -183323.8946 -148904.6084 300.0747 -171.3239 -140.2278 558693.3155 10.4415 10.2637 PRESSURE: 716600 -234.655 -80.6996 -83.2878 -80.6996 -264.689 4.91325 -83.2887 4.91355 -221.132 GPRESSURE: 716600 -191.326 -67.0061 -39.6803 -46.795 -179.955 -95.9138 -92.3966 -38.6303 -241.17 PRESSAVG: 716600 57.5502 -9.10629 -3.09393 -9.10612 -20.5341 7.46152 -3.09392 7.46148 -16.9279 GPRESSAVG: 716600 58.8797 -9.99274 -3.38766 -9.07774 -21.5578 8.68114 -2.83737 5.87741 -16.6977 TIMING: 716600 CPU: 2074.45, 0.00292591/step Wall: 2074.45, 0.00292591/step, 3.48134 hours remaining, 207.406250 MB of memory in use. ENERGY: 716600 763.5631 2071.4202 1919.8117 112.5346 -205489.8242 17411.1180 0.0000 0.0000 34092.4501 -149118.9265 297.7378 -183211.3766 -149017.7827 300.3681 -240.1587 -204.1501 558116.0263 6.6961 6.8747 PRESSURE: 716800 -36.8771 -120.576 44.0147 -120.577 -77.4841 -42.2708 44.0129 -42.2693 17.7254 GPRESSURE: 716800 -15.4141 -115.956 113.717 -103.184 -25.9155 -41.3815 10.689 -84.9798 32.4135 PRESSAVG: 716800 9.97423 -17.0592 -10.6411 -17.0593 -2.30102 -22.4509 -10.6411 -22.4508 -8.52101 GPRESSAVG: 716800 8.72256 -15.8346 -9.10625 -18.2492 -1.56026 -23.242 -11.672 -22.4479 -7.71865 TIMING: 716800 CPU: 2075.03, 0.00293376/step Wall: 2075.03, 0.00293376/step, 3.49052 hours remaining, 207.406250 MB of memory in use. ENERGY: 716800 768.5795 2100.2991 1943.7353 122.6676 -205879.3942 17798.4696 0.0000 0.0000 34125.1954 -149020.4476 298.0238 -183145.6430 -148926.4975 299.3991 -32.2119 -2.9720 557618.4242 -0.2826 -0.1855 PRESSURE: 717000 -359.582 80.1201 170.85 80.1199 -19.262 160.073 170.849 160.072 -156.289 GPRESSURE: 717000 -295.471 10.9975 132.24 218.577 26.0235 186.711 149.896 117.139 -164.527 PRESSAVG: 717000 -17.0519 9.61591 -8.24516 9.61587 -49.7817 38.2763 -8.24536 38.2763 26.3192 GPRESSAVG: 717000 -17.239 9.9324 -8.68288 10.7011 -49.3552 39.4689 -6.61407 37.5929 26.3355 TIMING: 717000 CPU: 2075.62, 0.00292575/step Wall: 2075.62, 0.00292575/step, 3.48083 hours remaining, 207.664062 MB of memory in use. ENERGY: 717000 772.8524 2135.4335 1933.3901 128.9401 -205595.4403 17380.3626 0.0000 0.0000 34296.7513 -148947.7102 299.5221 -183244.4615 -148854.9510 299.2935 -178.3777 -144.6582 558213.7994 -13.5048 -13.4196 PRESSURE: 717200 -133.572 35.6235 42.7094 35.6241 -189.761 6.05189 42.7085 6.05171 40.9368 GPRESSURE: 717200 -73.1369 92.0446 13.6223 23.1076 -104.398 20.016 103.607 75.1721 1.13406 PRESSAVG: 717200 -25.1585 8.64288 -12.0046 8.64281 13.8597 60.4674 -12.0046 60.4674 12.6464 GPRESSAVG: 717200 -24.4878 8.45149 -12.7359 7.74557 14.3937 60.8059 -13.3541 58.8914 11.85 TIMING: 717200 CPU: 2076.2, 0.00291029/step Wall: 2076.2, 0.00291029/step, 3.46228 hours remaining, 207.664062 MB of memory in use. ENERGY: 717200 775.6417 2078.2883 1943.1283 108.0517 -206096.1213 17700.3862 0.0000 0.0000 34340.2430 -149150.3822 299.9019 -183490.6251 -149057.7222 299.6762 -94.1323 -58.8002 555828.1045 0.4492 0.5853 PRESSURE: 717400 299.121 -32.8692 -104.917 -32.8701 181.892 -93.6824 -104.916 -93.6833 188.498 GPRESSURE: 717400 290.486 -54.7392 -205.911 -3.92423 233.168 -90.7279 39.9384 -56.753 249.202 PRESSAVG: 717400 -2.62209 51.691 31.9113 51.691 17.6125 29.5446 31.9113 29.5445 -53.236 GPRESSAVG: 717400 -1.78373 49.8593 31.9105 52.9746 15.6705 28.5301 32.1983 30.6999 -51.8065 TIMING: 717400 CPU: 2076.79, 0.00292901/step Wall: 2076.79, 0.00292901/step, 3.48438 hours remaining, 207.664062 MB of memory in use. ENERGY: 717400 765.3667 2113.4322 1986.8774 118.5225 -206401.0013 18046.5999 0.0000 0.0000 34362.2656 -149007.9371 300.0942 -183370.2027 -148915.2437 300.2671 223.1702 257.6186 555984.8993 -12.7485 -12.6399 PRESSURE: 717600 -144.262 65.3034 -157.809 65.3027 -48.9745 -14.0942 -157.81 -14.0952 -409.074 GPRESSURE: 717600 -152.163 29.8262 -75.0386 58.5691 17.2122 -18.1565 -74.3104 50.4288 -373.826 PRESSAVG: 717600 42.1768 42.0245 -30.186 42.0244 22.8372 23.562 -30.186 23.562 -32.9923 GPRESSAVG: 717600 41.7204 43.5722 -28.3819 41.8611 23.355 22.9557 -29.7894 25.0364 -33.0427 TIMING: 717600 CPU: 2077.37, 0.00290796/step Wall: 2077.37, 0.00290796/step, 3.45918 hours remaining, 207.664062 MB of memory in use. ENERGY: 717600 795.3490 2150.3950 1974.0461 117.8243 -205800.8299 17410.2620 0.0000 0.0000 34379.9989 -148972.9546 300.2491 -183352.9535 -148874.6599 300.2972 -200.7701 -169.5924 556834.1120 10.6739 10.6776 PRESSURE: 717800 -67.462 -190.223 -9.02749 -190.223 -113.885 23.6053 -9.02682 23.6071 -91.9328 GPRESSURE: 717800 -69.4347 -148.835 -9.5133 -109.546 -90.7257 97.1896 -26.4404 -114.154 -22.473 PRESSAVG: 717800 -14.4031 -0.874612 -31.6115 -0.874652 50.7094 8.01765 -31.6114 8.01752 -44.4604 GPRESSAVG: 717800 -15.6641 -1.99455 -34.2386 -1.15475 50.2444 9.69376 -30.8786 6.81346 -43.4224 TIMING: 717800 CPU: 2077.95, 0.00291762/step Wall: 2077.95, 0.00291762/step, 3.47051 hours remaining, 207.664062 MB of memory in use. ENERGY: 717800 729.6415 2127.8588 1955.0917 125.5812 -205634.5521 17481.1502 0.0000 0.0000 34358.2042 -148857.0245 300.0587 -183215.2287 -148759.0383 300.7239 -91.0932 -60.8778 555731.4778 -2.7180 -2.9473 PRESSURE: 718000 72.6471 -170.707 69.1628 -170.708 -184.295 59.3397 69.1625 59.3386 -51.3735 GPRESSURE: 718000 77.5769 -144.861 28.6381 -131.897 -200.023 -0.489674 85.3153 76.2482 50.8467 PRESSAVG: 718000 -13.4131 -16.7272 -18.0188 -16.7272 38.2066 44.0584 -18.0189 44.0583 -21.9553 GPRESSAVG: 718000 -12.7076 -14.3695 -16.2518 -17.7839 38.0272 43.2413 -19.6938 45.7223 -21.9514 TIMING: 718000 CPU: 2078.53, 0.00290363/step Wall: 2078.53, 0.00290363/step, 3.45371 hours remaining, 207.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 718000 742.1533 2115.4840 1952.0009 105.5904 -205848.3230 17673.2667 0.0000 0.0000 34419.1736 -148840.6540 300.5912 -183259.8276 -148741.8177 300.3308 -54.3404 -23.8666 556361.3411 0.9461 1.1227 PRESSURE: 718200 126.003 -249.096 -101.932 -249.096 64.9557 -44.6133 -101.931 -44.6138 119.393 GPRESSURE: 718200 171.172 -308.42 60.6497 -174.468 49.8043 -62.9915 -89.1482 -130.57 176.555 PRESSAVG: 718200 -11.88 -68.7327 -1.60438 -68.7326 -5.61916 -24.7374 -1.60442 -24.7373 8.2566 GPRESSAVG: 718200 -11.963 -68.8914 -2.48552 -68.1817 -4.68093 -25.6503 -1.36187 -26.0337 7.52584 TIMING: 718200 CPU: 2079.11, 0.00290617/step Wall: 2079.11, 0.00290617/step, 3.45657 hours remaining, 207.664062 MB of memory in use. ENERGY: 718200 731.3673 2189.0800 1977.8840 123.8684 -205871.5907 17780.5962 0.0000 0.0000 34324.2642 -148744.5306 299.7623 -183068.7948 -148646.3763 300.7273 103.4507 132.5105 556522.4303 -3.0809 -3.0394 PRESSURE: 718400 49.7956 -161.749 -40.3343 -161.749 -67.4425 -39.6266 -40.3351 -39.6268 259.797 GPRESSURE: 718400 105.529 -135.958 -98.8366 -123.598 -34.8578 -77.8661 -32.0104 -44.8513 267.555 PRESSAVG: 718400 4.6521 -8.20227 26.5482 -8.20235 -5.17033 -47.4905 26.5482 -47.4905 -15.6061 GPRESSAVG: 718400 5.4109 -8.16706 26.3497 -9.08965 -5.56134 -48.3491 25.2567 -45.5475 -15.2782 TIMING: 718400 CPU: 2079.69, 0.00290015/step Wall: 2079.69, 0.00290015/step, 3.44924 hours remaining, 207.664062 MB of memory in use. ENERGY: 718400 744.2924 2087.9463 1986.5522 111.9024 -206089.1631 17837.8744 0.0000 0.0000 34406.2480 -148914.3474 300.4783 -183320.5954 -148814.1482 300.3914 80.7168 112.7422 557674.3170 -5.3748 -5.1429 PRESSURE: 718600 202.029 53.0452 -221.308 53.0444 -89.7733 66.9642 -221.308 66.9622 -285.412 GPRESSURE: 718600 297.375 51.4605 -260.29 41.1431 -118.29 91.8509 -165.309 100.342 -251.868 PRESSAVG: 718600 41.8441 -19.9599 -37.4566 -19.9599 -29.1465 17.9513 -37.4566 17.9512 -19.9358 GPRESSAVG: 718600 42.2673 -20.2163 -37.0827 -19.1914 -29.0321 22.5635 -36.0871 15.0896 -20.7277 TIMING: 718600 CPU: 2080.27, 0.00290637/step Wall: 2080.27, 0.00290637/step, 3.45648 hours remaining, 207.664062 MB of memory in use. ENERGY: 718600 760.3005 2078.2942 1959.3580 122.2974 -205709.7884 17618.7411 0.0000 0.0000 34341.6152 -148829.1820 299.9139 -183170.7972 -148727.8764 301.0199 -57.7189 -24.2611 558378.0273 -2.4127 -2.4975 PRESSURE: 718800 41.1964 44.2117 -103.174 44.212 -136.137 94.1548 -103.174 94.155 212.212 GPRESSURE: 718800 110.938 60.2802 -187.408 -9.16008 -145.423 129.884 -26.4378 61.1601 239.995 PRESSAVG: 718800 83.0891 7.34807 -33.0244 7.34818 -33.7173 18.7961 -33.0243 18.796 -29.4107 GPRESSAVG: 718800 82.1798 8.39449 -32.7484 5.92426 -34.0539 16.2558 -33.618 21.2748 -28.1776 TIMING: 718800 CPU: 2080.85, 0.00290192/step Wall: 2080.85, 0.00290192/step, 3.45102 hours remaining, 207.664062 MB of memory in use. ENERGY: 718800 749.5732 2046.5121 1949.2185 115.2347 -206037.6127 17826.1045 0.0000 0.0000 34469.1989 -148881.7708 301.0281 -183350.9696 -148785.5076 300.4976 39.0902 68.5034 557397.8894 6.6537 6.6494 PRESSURE: 719000 -138.367 -153.273 127.526 -153.272 54.6291 -100.565 127.526 -100.565 -116.211 GPRESSURE: 719000 -79.9111 -78.8589 95.4425 -142.672 90.9739 -121.789 97.0096 -112.383 -109.368 PRESSAVG: 719000 5.78169 57.8895 -39.6316 57.8895 13.6273 8.15631 -39.6316 8.15626 1.73009 GPRESSAVG: 719000 5.61132 55.2429 -39.3401 58.9257 14.7758 6.60307 -40.1373 8.19943 1.45574 TIMING: 719000 CPU: 2081.44, 0.00292336/step Wall: 2081.44, 0.00292336/step, 3.47636 hours remaining, 207.664062 MB of memory in use. ENERGY: 719000 738.7520 2091.2647 1978.1646 116.5885 -205932.8434 17606.4124 0.0000 0.0000 34656.1728 -148745.4883 302.6610 -183401.6611 -148647.2426 300.7130 -66.6497 -32.7685 558308.4865 7.0464 7.2810 PRESSURE: 719200 22.9506 21.2751 -119.716 21.2758 -124.907 91.303 -119.716 91.3036 -107.648 GPRESSURE: 719200 8.37652 30.3289 -179.641 53.3995 -3.84816 55.7852 -148.863 22.9154 -125.922 PRESSAVG: 719200 30.066 7.2099 -59.191 7.2099 36.8641 -19.7394 -59.1911 -19.7393 -46.7445 GPRESSAVG: 719200 29.5335 9.64051 -61.2102 6.71755 37.6995 -19.4491 -55.7509 -20.5358 -46.9015 TIMING: 719200 CPU: 2082.02, 0.00291842/step Wall: 2082.02, 0.00291842/step, 3.47033 hours remaining, 207.664062 MB of memory in use. ENERGY: 719200 702.2750 2166.6628 1950.9904 111.6868 -205488.3793 17576.9655 0.0000 0.0000 34436.7887 -148543.0102 300.7450 -182979.7989 -148432.0812 301.0465 -69.8683 -40.4644 559947.6251 6.7285 6.7772 PRESSURE: 719400 -162.886 -32.89 11.8682 -32.8903 -82.4004 -113.362 11.8687 -113.363 -94.9593 GPRESSURE: 719400 -97.915 -62.2409 0.27026 -24.7765 -75.4613 -104.329 21.825 -167.534 -78.3196 PRESSAVG: 719400 41.993 32.3107 -19.1281 32.3107 -6.20224 7.00096 -19.1282 7.00086 -25.4385 GPRESSAVG: 719400 42.9611 29.8723 -19.0669 33.174 -6.44907 6.78558 -21.6893 6.84388 -25.7762 TIMING: 719400 CPU: 2082.6, 0.00288889/step Wall: 2082.6, 0.00288889/step, 3.43505 hours remaining, 207.664062 MB of memory in use. ENERGY: 719400 751.6434 2087.6386 1987.7137 119.2708 -205802.8645 17644.4390 0.0000 0.0000 34659.5522 -148552.6068 302.6905 -183212.1590 -148458.0500 301.2100 -113.4152 -83.8986 559901.2651 3.4507 3.5786 PRESSURE: 719600 -90.4685 173.318 118.787 173.318 -89.1769 93.3716 118.787 93.3739 21.2102 GPRESSURE: 719600 -13.169 132.924 80.3447 172.625 -114.83 32.6716 155.136 98.6461 72.349 PRESSAVG: 719600 -17.6197 22.9758 -5.66061 22.9758 30.1606 7.12786 -5.6606 7.12805 -45.7984 GPRESSAVG: 719600 -16.4176 24.0179 -5.45788 21.1606 28.3388 7.56247 -5.18366 7.16286 -45.3242 TIMING: 719600 CPU: 2083.18, 0.00288505/step Wall: 2083.18, 0.00288505/step, 3.43032 hours remaining, 207.664062 MB of memory in use. ENERGY: 719600 774.1073 2105.6556 1962.6657 106.5450 -205700.6878 17723.9629 0.0000 0.0000 34524.7315 -148503.0198 301.5131 -183027.7512 -148410.9773 301.2129 -52.8117 -18.5499 559469.6504 -11.0859 -11.1343 PRESSURE: 719800 -53.0246 -2.45542 123.639 -2.45558 -169.706 11.6145 123.639 11.613 216.105 GPRESSURE: 719800 -6.96108 -50.4588 138.69 30.9458 -82.7019 -14.4897 3.28342 83.746 183.496 PRESSAVG: 719800 52.533 22.1862 41.113 22.1862 29.8368 -27.2612 41.113 -27.2612 -71.1036 GPRESSAVG: 719800 51.8481 22.7334 43.9579 23.5151 30.6494 -28.2001 39.8321 -26.6655 -70.6459 TIMING: 719800 CPU: 2083.76, 0.00289382/step Wall: 2083.76, 0.00289382/step, 3.44059 hours remaining, 207.664062 MB of memory in use. ENERGY: 719800 741.6653 2137.5302 1965.1368 101.3733 -205501.5964 17527.1106 0.0000 0.0000 34505.1039 -148523.6765 301.3417 -183028.7804 -148419.6773 301.0538 -2.2085 31.2776 558574.2372 3.7554 3.9505 PRESSURE: 720000 18.286 13.7542 41.2959 13.7544 -15.8808 -135.068 41.2959 -135.069 -114.476 GPRESSURE: 720000 -7.65182 -27.8457 -49.2899 83.7108 46.2714 -170.038 122.919 -90.5999 -64.0188 PRESSAVG: 720000 -5.82506 49.3776 -17.4053 49.3776 -39.0056 -30.4267 -17.4053 -30.4266 18.51 GPRESSAVG: 720000 -6.1486 47.9779 -20.3015 50.3326 -38.7336 -28.6045 -15.3644 -32.3097 18.1294 TIMING: 720000 CPU: 2084.33, 0.00289046/step Wall: 2084.33, 0.00289046/step, 3.43644 hours remaining, 207.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 720000 677.9280 2049.8452 1975.0639 128.4050 -205617.2691 17759.2465 0.0000 0.0000 34635.1696 -148391.6110 302.4776 -183026.7806 -148288.9226 301.0666 -37.3568 -8.4664 560327.7335 -8.7736 -8.9176 PRESSURE: 720200 210.871 -29.7115 -15.0937 -29.712 115.408 -116.442 -15.0947 -116.442 -220.889 GPRESSURE: 720200 221.608 44.2121 0.366953 -8.59992 156.276 -162.936 49.7101 -106.354 -155.159 PRESSAVG: 720200 16.6102 -8.88052 8.42337 -8.88046 14.4664 -37.8122 8.42335 -37.8122 18.178 GPRESSAVG: 720200 16.3401 -7.9981 10.0862 -9.99098 13.3719 -36.2229 7.50505 -38.6279 19.3052 TIMING: 720200 CPU: 2084.91, 0.00289241/step Wall: 2084.91, 0.00289241/step, 3.4386 hours remaining, 207.664062 MB of memory in use. ENERGY: 720200 731.0809 2129.2724 1956.6508 112.3649 -205620.2544 17893.8715 0.0000 0.0000 34387.4977 -148409.5162 300.3146 -182797.0139 -148319.1887 301.5357 35.1299 74.2418 560120.1775 16.4182 16.3391 LDB: ============= START OF LOAD BALANCING ============== 2088.3 LDB: ============== END OF LOAD BALANCING =============== 2088.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2088.3 LDB: ============= START OF LOAD BALANCING ============== 2088.59 LDB: Largest compute 4820 load 0.028139 is 23.9% of average load 0.117865 LDB: Average compute 0.001721 is 1.5% of average load 0.117865 LDB: TIME 2088.59 LOAD: AVG 0.117865 MAX 0.186794 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.504 MB LDB: TIME 2088.59 LOAD: AVG 0.117865 MAX 0.186794 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.504 MB LDB: TIME 2088.59 LOAD: AVG 0.117865 MAX 0.186794 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2088.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2088.6 PRESSURE: 720400 -240.491 -17.0601 145.256 -17.0608 -265.41 -119.7 145.256 -119.698 -77.7648 GPRESSURE: 720400 -199.401 -22.2195 91.3648 -23.9049 -213.803 -42.9669 66.1438 -86.828 -76.8574 PRESSAVG: 720400 -1.9642 -24.9889 31.9627 -24.9888 -34.8344 3.37927 31.9627 3.37939 2.72663 GPRESSAVG: 720400 -0.872799 -27.2349 33.2766 -23.8479 -35.1276 1.63672 31.8537 4.22327 1.91073 TIMING: 720400 CPU: 2085.5, 0.00295861/step Wall: 2085.5, 0.00295861/step, 3.51713 hours remaining, 206.199219 MB of memory in use. ENERGY: 720400 753.6565 2129.3965 1966.5277 111.5904 -205610.5675 17574.3859 0.0000 0.0000 34444.4135 -148630.5971 300.8116 -183075.0106 -148518.7226 301.0665 -194.5554 -163.3539 557493.9909 -11.3573 -11.3632 PRESSURE: 720600 114.18 -161.258 16.5388 -161.257 -26.1981 -65.7 16.5398 -65.6991 -89.8754 GPRESSURE: 720600 172.061 -228.465 46.5285 -131.562 -4.63148 -47.8989 46.928 -60.9524 -80.4903 PRESSAVG: 720600 20.8752 -71.4919 46.9038 -71.4919 -35.4007 -2.55307 46.9038 -2.55309 18.8789 GPRESSAVG: 720600 20.4302 -70.2131 47.2218 -74.6758 -34.9862 -1.27283 49.171 -1.98409 18.912 TIMING: 720600 CPU: 2086.08, 0.00289036/step Wall: 2086.08, 0.00289036/step, 3.43583 hours remaining, 206.199219 MB of memory in use. ENERGY: 720600 688.0591 2119.8843 1947.5574 109.8090 -205606.4741 17536.7919 0.0000 0.0000 34390.2780 -148814.0943 300.3389 -183204.3724 -148712.0970 300.4820 -0.6310 28.9798 558652.6438 1.4511 1.4520 PRESSURE: 720800 -191.466 -110.506 1.1748 -110.505 -273.814 173.038 1.17514 173.04 -224.262 GPRESSURE: 720800 -208.718 -81.2546 -41.6277 -142.383 -196.014 160.228 62.4364 152.055 -182.025 PRESSAVG: 720800 10.4575 -14.2834 16.1813 -14.2835 42.1558 17.5148 16.1812 17.5147 -25.7367 GPRESSAVG: 720800 11.1522 -15.3799 15.4117 -11.6499 41.8642 17.5167 12.9944 17.6447 -26.1542 TIMING: 720800 CPU: 2086.66, 0.00289135/step Wall: 2086.66, 0.00289135/step, 3.43685 hours remaining, 206.199219 MB of memory in use. ENERGY: 720800 745.0857 2075.7782 1962.0036 115.6805 -205601.4257 17334.2334 0.0000 0.0000 34288.4359 -149080.2085 299.4494 -183368.6444 -148981.7879 300.0431 -229.8475 -195.5855 556882.1813 8.9589 8.9541 PRESSURE: 721000 -173.741 -8.9949 59.4184 -8.99635 150.278 12.3543 59.4185 12.3538 -83.439 GPRESSURE: 721000 -172.852 16.4997 97.3556 -52.9715 151.747 -63.4256 -2.23911 41.2498 2.63199 PRESSAVG: 721000 -70.5414 -33.8927 54.4667 -33.8927 23.9408 60.9803 54.4666 60.9803 21.6987 GPRESSAVG: 721000 -70.1515 -35.3979 52.3177 -32.6364 23.712 60.8526 56.1942 61.8171 21.1372 TIMING: 721000 CPU: 2087.25, 0.00292587/step Wall: 2087.25, 0.00292587/step, 3.47772 hours remaining, 206.199219 MB of memory in use. ENERGY: 721000 748.1465 2083.7434 1976.9508 122.3975 -205948.8422 17681.7982 0.0000 0.0000 34236.7199 -149099.0858 298.9978 -183335.8058 -149001.6551 299.0954 -35.6342 -6.1574 557036.5523 -8.3007 -8.4341 PRESSURE: 721200 105.535 -95.8534 -76.3764 -95.8543 83.018 188.489 -76.3764 188.49 41.323 GPRESSURE: 721200 156.845 -45.7087 -23.3929 -91.2996 92.2598 175.809 -73.5691 161.169 90.4996 PRESSAVG: 721200 -36.9592 -5.57436 -16.6813 -5.5744 52.4411 22.0036 -16.6813 22.0035 -34.2659 GPRESSAVG: 721200 -37.6928 -4.21511 -15.3754 -6.94546 52.2353 20.858 -17.7225 21.8147 -33.9075 TIMING: 721200 CPU: 2087.83, 0.00293342/step Wall: 2087.83, 0.00293342/step, 3.48653 hours remaining, 206.199219 MB of memory in use. ENERGY: 721200 723.7147 2110.2674 1954.1689 126.0038 -206216.7448 17871.8253 0.0000 0.0000 34211.3819 -149219.3828 298.7765 -183430.7647 -149127.2264 298.8957 76.6254 113.2015 556941.1630 -6.2613 -6.4550 PRESSURE: 721400 -78.7739 -157.273 -100.347 -157.273 -17.9383 -128.064 -100.347 -128.064 -19.0205 GPRESSURE: 721400 -33.3116 -207.334 0.156058 -145.602 -8.13196 -211.099 -94.679 -133.453 32.7036 PRESSAVG: 721400 1.48974 -65.8829 0.329086 -65.8829 13.8897 4.63006 0.329113 4.63017 -2.79338 GPRESSAVG: 721400 1.77031 -66.9599 -0.0118182 -63.8429 13.9906 2.82586 2.74146 4.62766 -3.66266 TIMING: 721400 CPU: 2088.42, 0.00292604/step Wall: 2088.42, 0.00292604/step, 3.47759 hours remaining, 206.199219 MB of memory in use. ENERGY: 721400 784.6125 2108.4117 1928.4991 125.1794 -206316.5607 17683.1776 0.0000 0.0000 34408.9113 -149277.7692 300.5016 -183686.6804 -149183.9350 299.2744 -38.5776 -2.9133 555965.6507 4.1953 4.0327 PRESSURE: 721600 -211.531 -50.9966 -93.0135 -50.9956 -27.6305 22.1226 -93.0143 22.1223 -135.202 GPRESSURE: 721600 -203.406 -85.9994 -167.707 6.32536 24.9302 10.5066 11.7222 8.78463 -102.914 PRESSAVG: 721600 23.0433 -53.6784 -33.0687 -53.6783 1.18711 24.8888 -33.0686 24.8888 19.3009 GPRESSAVG: 721600 22.0222 -53.0043 -34.119 -55.2022 2.36718 27.4612 -32.6913 23.9809 18.8786 TIMING: 721600 CPU: 2088.99, 0.0028875/step Wall: 2088.99, 0.0028875/step, 3.43164 hours remaining, 206.199219 MB of memory in use. ENERGY: 721600 752.6573 2064.9916 1970.1616 113.6690 -205827.5647 17598.0989 0.0000 0.0000 34036.0881 -149291.8983 297.2456 -183327.9864 -149192.5305 298.6548 -124.7878 -93.7967 557919.9457 14.5104 14.4227 PRESSURE: 721800 97.8877 -74.3479 -46.0045 -74.3478 145.537 71.291 -46.0037 71.288 273.911 GPRESSURE: 721800 157.922 -31.3008 -55.5086 -106.904 194.727 154.069 -144.608 36.355 267.595 PRESSAVG: 721800 -37.6772 2.34147 -42.0052 2.34152 67.2879 35.7124 -42.0053 35.7123 -10.008 GPRESSAVG: 721800 -36.2619 2.79699 -42.1571 0.734328 66.0865 37.1595 -42.0179 35.0061 -9.75278 TIMING: 721800 CPU: 2089.57, 0.00288468/step Wall: 2089.57, 0.00288468/step, 3.42812 hours remaining, 206.199219 MB of memory in use. ENERGY: 721800 713.4212 2104.3255 1948.2883 112.6457 -206263.4624 17888.4865 0.0000 0.0000 34368.2690 -149128.0262 300.1466 -183496.2952 -149032.3601 298.7972 172.4453 206.7478 557159.2009 6.5343 6.6906 PRESSURE: 722000 -57.2359 200.078 38.9379 200.077 16.3242 -8.55606 38.9381 -8.55534 -270.787 GPRESSURE: 722000 -35.9637 193.088 33.3097 164.522 33.7154 -21.6296 14.7908 11.1855 -215.19 PRESSAVG: 722000 23.0469 -8.99669 -46.7455 -8.99662 -19.6264 11.6849 -46.7456 11.6851 15.7305 GPRESSAVG: 722000 21.4161 -8.56316 -45.1586 -8.98666 -19.1631 11.2996 -49.2413 10.8294 16.7071 TIMING: 722000 CPU: 2090.15, 0.00291263/step Wall: 2090.15, 0.00291263/step, 3.46117 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 722000 726.3822 2133.2160 1959.4879 114.8303 -206434.9205 17750.7715 0.0000 0.0000 34518.0753 -149232.1573 301.4549 -183750.2326 -149135.2986 299.4048 -103.8995 -72.4793 558168.8164 6.3836 6.3200 PRESSURE: 722200 6.41187 -43.2398 -80.3355 -43.2408 94.5368 80.1455 -80.3363 80.1457 61.3053 GPRESSURE: 722200 36.6505 7.88394 -20.171 -31.1024 112.949 63.9762 -123.012 24.1046 102.504 PRESSAVG: 722200 -43.4654 22.1448 -5.2326 22.1448 -66.2444 38.367 -5.2326 38.3669 68.4326 GPRESSAVG: 722200 -42.3315 21.8199 -6.01662 22.1063 -65.9447 37.6138 -5.63391 39.8142 66.6727 TIMING: 722200 CPU: 2090.74, 0.00292366/step Wall: 2090.74, 0.00292366/step, 3.47412 hours remaining, 206.199219 MB of memory in use. ENERGY: 722200 730.3463 2089.2302 1964.0172 109.1518 -206095.8909 17663.8132 0.0000 0.0000 34346.9382 -149192.3939 299.9604 -183539.3321 -149093.5671 298.7423 54.0847 84.0346 556726.2363 -13.7591 -13.8678 PRESSURE: 722400 -71.3214 -8.40086 -94.0431 -8.40187 -314.692 47.0144 -94.0434 47.0144 -240.462 GPRESSURE: 722400 -116.301 62.1242 -32.4536 -81.2248 -259.714 53.2745 -93.2538 20.0777 -160.147 PRESSAVG: 722400 -28.4204 27.9618 -13.5045 27.9618 -21.2335 -22.2886 -13.5044 -22.2887 3.31639 GPRESSAVG: 722400 -30.0476 29.7392 -13.4639 29.4909 -20.7628 -22.9999 -12.5361 -22.1105 4.22573 TIMING: 722400 CPU: 2091.32, 0.00292037/step Wall: 2091.32, 0.00292037/step, 3.47004 hours remaining, 206.199219 MB of memory in use. ENERGY: 722400 773.2973 2141.6493 1920.4008 107.2916 -205661.9876 17454.4460 0.0000 0.0000 34096.6624 -149168.2403 297.7746 -183264.9027 -149074.8275 299.0495 -208.8253 -178.7206 559428.5042 -15.4458 -15.5282 PRESSURE: 722600 -115.769 23.5024 -66.5464 23.5027 77.1194 -19.5012 -66.5459 -19.4992 199.777 GPRESSURE: 722600 -78.3994 -13.5947 -104.576 27.9444 120.696 65.3198 -96.6677 -94.565 231.888 PRESSAVG: 722600 40.7797 36.1216 -2.03354 36.1215 -31.759 -52.6709 -2.03362 -52.671 12.7461 GPRESSAVG: 722600 42.4485 33.5508 0.0190924 36.7093 -32.7455 -51.0321 -2.77977 -52.4246 12.1099 TIMING: 722600 CPU: 2091.9, 0.00290613/step Wall: 2091.9, 0.00290613/step, 3.45296 hours remaining, 206.199219 MB of memory in use. ENERGY: 722600 766.0654 2082.4702 1955.9729 113.5351 -206468.8201 18052.8213 0.0000 0.0000 34318.1441 -149179.8111 299.7089 -183497.9552 -149078.7846 299.6907 53.7091 91.3948 556323.4365 7.2556 7.2710 PRESSURE: 722800 179.907 -26.7495 -41.0993 -26.7502 183.272 -4.29532 -41.1006 -4.29531 57.0897 GPRESSURE: 722800 288.476 -43.1316 -72.6497 -37.0337 202.954 44.3649 -33.3939 -5.14017 22.8079 PRESSAVG: 722800 7.28921 11.3728 -5.88321 11.3728 44.9966 15.671 -5.88301 15.6709 -21.0559 GPRESSAVG: 722800 6.2046 11.4005 -6.40888 11.4559 45.5623 14.789 -4.86784 15.3185 -20.819 TIMING: 722800 CPU: 2092.49, 0.00291915/step Wall: 2092.49, 0.00291915/step, 3.46827 hours remaining, 206.199219 MB of memory in use. ENERGY: 722800 783.5372 2043.1186 1943.5483 120.3968 -206228.5584 18087.9696 0.0000 0.0000 34223.4933 -149026.4945 298.8823 -183249.9879 -148933.4183 299.3886 140.0896 171.4128 558021.7838 10.4100 10.3160 PRESSURE: 723000 -143.308 -133.66 -1.4483 -133.661 106.16 129.706 -1.44693 129.705 -23.27 GPRESSURE: 723000 -58.4162 -103.628 14.1414 -200.175 112.141 116.799 58.5726 87.3552 -8.9633 PRESSAVG: 723000 -7.04444 -44.0037 -1.37435 -44.0038 8.56088 -18.0614 -1.37435 -18.0615 -1.65006 GPRESSAVG: 723000 -7.01361 -42.1702 -3.37285 -45.5263 7.75597 -17.5772 0.271754 -17.6448 -1.40574 TIMING: 723000 CPU: 2093.07, 0.00290947/step Wall: 2093.07, 0.00290947/step, 3.45661 hours remaining, 206.199219 MB of memory in use. ENERGY: 723000 741.4659 2105.4218 1942.2727 123.7201 -205900.7405 17729.8689 0.0000 0.0000 34162.9061 -149095.0850 298.3532 -183257.9911 -149002.4150 298.9737 -20.1392 14.9205 557629.3744 -0.0445 -0.2211 PRESSURE: 723200 -163.528 -1.35138 -143.719 -1.35279 61.0931 55.4161 -143.72 55.4169 130.803 GPRESSURE: 723200 -42.4122 83.2981 -207.617 -26.4073 73.8473 38.7531 -57.4472 18.0978 84.6494 PRESSAVG: 723200 31.367 -15.1191 -22.7852 -15.1191 16.3701 -18.3303 -22.7852 -18.3303 -29.2426 GPRESSAVG: 723200 32.0281 -15.6747 -23.092 -13.5369 18.0473 -19.7661 -25.6346 -18.4958 -31.0939 TIMING: 723200 CPU: 2093.65, 0.00292242/step Wall: 2093.65, 0.00292242/step, 3.47184 hours remaining, 206.199219 MB of memory in use. ENERGY: 723200 750.3287 2127.3604 1950.8796 104.3387 -205945.8182 17652.2176 0.0000 0.0000 34248.1725 -149112.5207 299.0978 -183360.6932 -149012.6265 299.4149 9.4560 38.6948 557602.9228 6.1648 6.3272 PRESSURE: 723400 -64.7063 -20.8937 -230.292 -20.8937 184.79 255.132 -230.293 255.131 199.405 GPRESSURE: 723400 -13.1546 -57.5315 -236.668 -39.1994 194.981 228.856 -168.898 207.524 238.421 PRESSAVG: 723400 59.0242 -21.0535 -47.3928 -21.0535 -58.3799 -13.3763 -47.3928 -13.3763 -27.2599 GPRESSAVG: 723400 59.0369 -19.86 -44.2887 -22.6849 -60.0637 -12.6667 -46.9268 -13.558 -25.2824 TIMING: 723400 CPU: 2094.24, 0.00292337/step Wall: 2094.24, 0.00292337/step, 3.4728 hours remaining, 206.199219 MB of memory in use. ENERGY: 723400 749.8715 2016.1910 1963.2815 124.1473 -206137.3047 17992.3224 0.0000 0.0000 34250.8880 -149040.6031 299.1215 -183291.4911 -148947.3657 300.0519 106.4961 140.0824 557974.2696 -8.8719 -8.7697 PRESSURE: 723600 35.4365 -8.92047 50.8934 -8.92005 -217.729 48.6574 50.8943 48.6581 -86.5642 GPRESSURE: 723600 12.3503 92.789 1.31447 0.972878 -174.339 82.6908 112.641 8.91855 -14.097 PRESSAVG: 723600 19.8413 -14.9908 -36.5759 -14.9908 -62.3595 -22.576 -36.5759 -22.5761 -16.1954 GPRESSAVG: 723600 19.6153 -15.7022 -36.4057 -14.857 -60.8475 -21.6103 -36.0941 -23.8199 -18.3585 TIMING: 723600 CPU: 2094.82, 0.00290024/step Wall: 2094.82, 0.00290024/step, 3.44516 hours remaining, 206.199219 MB of memory in use. ENERGY: 723600 728.1671 2095.4620 1991.5615 115.2643 -205840.0880 17721.8831 0.0000 0.0000 34446.0331 -148741.7169 300.8258 -183187.7500 -148643.8457 300.2730 -89.6189 -58.6953 557776.1349 -19.5712 -19.8636 PRESSURE: 723800 128.35 141.054 -83.3722 141.054 -121.415 -36.0094 -83.3718 -36.0085 -99.3637 GPRESSURE: 723800 132.283 63.1269 -57.3284 128.925 -83.8468 31.5023 -102.528 -79.8337 -51.1195 PRESSAVG: 723800 33.8511 3.37858 -4.54246 3.37863 24.391 -66.8879 -4.5424 -66.8878 -10.3304 GPRESSAVG: 723800 35.275 3.18292 -4.63057 4.29535 23.0652 -68.2751 -5.45198 -66.5233 -10.9962 TIMING: 723800 CPU: 2095.4, 0.002903/step Wall: 2095.4, 0.002903/step, 3.44828 hours remaining, 206.199219 MB of memory in use. ENERGY: 723800 715.4542 2152.7816 1936.0716 119.9135 -205618.5620 17638.9035 0.0000 0.0000 34445.5335 -148609.9040 300.8214 -183055.4376 -148520.0381 300.9604 -30.8095 -0.8943 557504.7995 15.9706 15.7813 PRESSURE: 724000 282.202 26.0191 -7.76369 26.0193 167.912 68.5638 -7.76498 68.5644 133.417 GPRESSURE: 724000 319.267 -51.7549 91.919 17.0805 191.484 102.642 -93.0976 1.69005 167.812 PRESSAVG: 724000 -1.78912 -12.0157 12.2208 -12.0157 -27.3736 7.67445 12.2207 7.67448 13.7655 GPRESSAVG: 724000 -2.71721 -12.7845 12.2157 -13.2769 -26.6423 6.01691 12.2709 9.37504 14.2469 TIMING: 724000 CPU: 2095.98, 0.00290374/step Wall: 2095.98, 0.00290374/step, 3.44899 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 724000 751.4833 2114.2057 1957.8722 122.4623 -206207.4782 18201.4961 0.0000 0.0000 34323.5858 -148736.3729 299.7564 -183059.9587 -148640.6914 300.5205 194.5103 226.1875 556164.3727 -5.1324 -5.0375 PRESSURE: 724200 49.9745 -35.549 73.4697 -35.5496 -115.332 -77.7425 73.4703 -77.7423 12.6511 GPRESSURE: 724200 109.334 -49.3077 44.1712 35.6313 -129.588 -101.971 103.754 -63.1253 83.4017 PRESSAVG: 724200 41.2494 -1.97573 41.8103 -1.97571 -31.3026 34.6068 41.8103 34.6069 21.2404 GPRESSAVG: 724200 41.3395 -3.77479 43.9252 -2.4744 -31.2975 33.529 42.2568 35.7546 21.649 TIMING: 724200 CPU: 2096.56, 0.00289373/step Wall: 2096.56, 0.00289373/step, 3.43695 hours remaining, 206.199219 MB of memory in use. ENERGY: 724200 758.3480 2046.0843 1944.8037 123.7330 -205587.8064 17638.0403 0.0000 0.0000 34194.2245 -148882.5726 298.6267 -183076.7971 -148789.2485 300.6002 -17.5689 21.0492 558070.4298 10.3957 10.5637 LDB: ============= START OF LOAD BALANCING ============== 2099.95 LDB: ============== END OF LOAD BALANCING =============== 2099.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2099.95 LDB: ============= START OF LOAD BALANCING ============== 2100.24 LDB: Largest compute 4820 load 0.029243 is 24.8% of average load 0.117929 LDB: Average compute 0.001718 is 1.5% of average load 0.117929 LDB: TIME 2100.24 LOAD: AVG 0.117929 MAX 0.186109 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 2100.24 LOAD: AVG 0.117929 MAX 0.186109 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: TIME 2100.24 LOAD: AVG 0.117929 MAX 0.186109 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2100.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2100.25 PRESSURE: 724400 -191.618 -62.3904 125.775 -62.3899 -185.82 -159.342 125.776 -159.342 -346.668 GPRESSURE: 724400 -152.44 -58.1422 104.285 -51.6859 -147.484 -55.1721 189.021 -245.237 -317.579 PRESSAVG: 724400 12.4159 12.0818 23.8247 12.0819 19.1542 -57.9026 23.8246 -57.9027 -9.22362 GPRESSAVG: 724400 12.4698 13.0451 21.1544 13.0935 19.8649 -53.3811 24.0114 -58.7612 -10.3869 TIMING: 724400 CPU: 2097.15, 0.00295426/step Wall: 2097.15, 0.00295426/step, 3.50868 hours remaining, 206.820312 MB of memory in use. ENERGY: 724400 785.6490 2032.6476 1936.9855 108.8553 -205610.0929 17445.0746 0.0000 0.0000 34520.5960 -148780.2850 301.4770 -183300.8809 -148686.5696 300.0712 -241.3686 -205.8343 557330.5460 7.4488 7.3160 PRESSURE: 724600 -199.872 56.7504 -50.5485 56.7503 -125.299 -87.1808 -50.5485 -87.1804 -158.149 GPRESSURE: 724600 -168.654 -17.327 -114.708 49.2352 -83.2361 -50.3862 -11.935 0.921467 -140.444 PRESSAVG: 724600 10.3708 24.1456 -8.38365 24.1455 1.84786 56.1095 -8.38354 56.1096 15.0029 GPRESSAVG: 724600 9.98321 24.0907 -7.92541 24.8552 1.92939 54.9627 -8.68235 55.9448 15.8667 TIMING: 724600 CPU: 2097.74, 0.00294411/step Wall: 2097.74, 0.00294411/step, 3.49645 hours remaining, 206.820312 MB of memory in use. ENERGY: 724600 736.4255 2101.2288 1939.0803 93.0432 -205643.7954 17519.0502 0.0000 0.0000 34609.4040 -148645.5635 302.2525 -183254.9674 -148555.0085 300.9902 -161.1065 -130.7781 558765.4303 9.0738 9.2598 PRESSURE: 724800 -70.4942 100.996 -90.3054 100.997 -135.516 96.1711 -90.3055 96.1704 156.559 GPRESSURE: 724800 -79.1069 200.587 -52.2803 70.094 -58.8084 122.053 -140.292 32.6141 174.13 PRESSAVG: 724800 -5.02588 30.4461 19.6186 30.4462 32.1113 -2.32152 19.6185 -2.32159 0.624503 GPRESSAVG: 724800 -3.34185 30.9257 20.9534 28.6623 30.6695 -2.13834 18.069 -2.60392 1.39687 TIMING: 724800 CPU: 2098.32, 0.00291865/step Wall: 2098.32, 0.00291865/step, 3.46606 hours remaining, 206.820312 MB of memory in use. ENERGY: 724800 739.4972 2096.2995 1927.5755 123.5262 -206054.4877 17698.1109 0.0000 0.0000 34745.6823 -148723.7961 303.4427 -183469.4784 -148627.1429 300.9653 -16.4840 12.0717 557653.8027 9.2366 9.5748 PRESSURE: 725000 -199.249 -50.042 76.2229 -50.0426 -181.262 -23.3503 76.2241 -23.3506 -114.303 GPRESSURE: 725000 -177.021 -108.769 56.358 -25.9078 -145.066 -0.687581 86.215 -22.2466 -77.4882 PRESSAVG: 725000 -40.0096 -5.00979 -46.7997 -5.00979 68.4355 13.041 -46.7997 13.0409 -2.2153 GPRESSAVG: 725000 -41.3973 -4.51157 -48.8975 -3.21791 70.1081 12.8318 -45.9382 14.2214 -2.57554 TIMING: 725000 CPU: 2098.9, 0.0028987/step Wall: 2098.9, 0.0028987/step, 3.44221 hours remaining, 206.820312 MB of memory in use. ENERGY: 725000 755.2400 2073.4572 1954.3447 114.4796 -205632.2339 17573.4104 0.0000 0.0000 34473.4214 -148687.8805 301.0650 -183161.3020 -148591.7977 300.7166 -164.9378 -133.1917 558665.8490 8.7369 8.7118 PRESSURE: 725200 -170.711 45.3179 73.6249 45.3183 231.66 156.981 73.6253 156.982 75.5286 GPRESSURE: 725200 -139.747 34.1797 46.7666 102.973 228.59 190.821 7.41121 174.395 129.102 PRESSAVG: 725200 -47.8861 34.584 -55.2396 34.584 25.8559 -118.64 -55.2395 -118.64 -34.6867 GPRESSAVG: 725200 -47.7082 33.9773 -55.5561 34.3537 25.1731 -117.214 -54.7381 -121.243 -34.0219 TIMING: 725200 CPU: 2099.48, 0.00291039/step Wall: 2099.48, 0.00291039/step, 3.45592 hours remaining, 206.820312 MB of memory in use. ENERGY: 725200 735.9520 2075.6668 1957.7197 119.7531 -205603.9651 17643.8547 0.0000 0.0000 34414.6199 -148656.3990 300.5514 -183071.0188 -148555.5053 300.4952 45.4924 72.6482 557252.7718 -18.9057 -18.8523 PRESSURE: 725400 116.411 22.6794 -9.72788 22.6785 136.616 -118.765 -9.72851 -118.765 22.4637 GPRESSURE: 725400 147.461 4.95198 -74.6714 45.7003 182.445 -134.511 12.2986 -157.079 58.9434 PRESSAVG: 725400 -39.9289 10.5331 12.7385 10.5331 -9.37951 -58.2416 12.7385 -58.2415 56.6527 GPRESSAVG: 725400 -39.924 12.5212 11.8031 8.95793 -9.13312 -59.989 11.9015 -57.6415 56.6233 TIMING: 725400 CPU: 2100.07, 0.00292611/step Wall: 2100.07, 0.00292611/step, 3.47443 hours remaining, 206.820312 MB of memory in use. ENERGY: 725400 762.4826 2065.7817 1962.5251 101.8732 -206221.2396 18043.7380 0.0000 0.0000 34607.5796 -148677.2594 302.2366 -183284.8390 -148583.6628 300.9826 91.8301 129.6166 558146.3658 2.4481 2.5221 PRESSURE: 725600 -268.852 140.121 -62.5092 140.12 113.556 117.326 -62.5101 117.326 -85.743 GPRESSURE: 725600 -204.018 144.635 -81.5596 172.283 82.9944 82.4556 -36.0054 88.7135 -31.7993 PRESSAVG: 725600 -23.5992 -6.24611 -8.68941 -6.24615 43.3109 -45.4826 -8.68937 -45.4826 37.4567 GPRESSAVG: 725600 -23.0485 -5.6861 -7.94219 -6.52224 43.1698 -45.5725 -6.83686 -44.8199 36.6163 TIMING: 725600 CPU: 2100.65, 0.00292567/step Wall: 2100.65, 0.00292567/step, 3.47375 hours remaining, 206.820312 MB of memory in use. ENERGY: 725600 774.4099 2078.7480 1943.7994 123.5138 -205803.5863 17790.7900 0.0000 0.0000 34343.0280 -148749.2973 299.9262 -183092.3252 -148652.2029 301.0508 -80.3463 -50.9410 559627.6764 19.0561 18.9125 PRESSURE: 725800 -162.287 123.986 -58.1339 123.986 -64.841 176.788 -58.1343 176.787 -119.282 GPRESSURE: 725800 -127.915 151.257 39.3697 102.468 -70.0765 199.243 -129.279 106.307 -60.3295 PRESSAVG: 725800 -52.6747 24.9036 -53.9975 24.9036 37.5509 -20.7388 -53.9975 -20.7388 -15.032 GPRESSAVG: 725800 -52.8687 24.4593 -51.1265 25.2081 36.907 -22.2965 -59.3157 -18.3332 -13.8516 TIMING: 725800 CPU: 2101.23, 0.00287167/step Wall: 2101.23, 0.00287167/step, 3.40947 hours remaining, 206.820312 MB of memory in use. ENERGY: 725800 764.2123 2096.1646 1942.0756 127.4506 -205611.9585 17616.2293 0.0000 0.0000 34387.4296 -148678.3965 300.3140 -183065.8262 -148585.2652 300.3850 -115.4702 -86.1069 559082.5806 -10.0519 -9.9378 PRESSURE: 726000 103.586 -163.579 35.4354 -163.58 227.197 -1.71725 35.436 -1.71608 -49.3573 GPRESSURE: 726000 138.284 -177.233 69.6318 -15.2084 261.846 -7.45707 88.5656 24.4809 -19.2225 PRESSAVG: 726000 23.669 17.6144 16.3773 17.6144 15.6508 -39.6539 16.3773 -39.6538 -10.9416 GPRESSAVG: 726000 23.5557 17.2538 15.0646 19.5605 15.7689 -38.4734 21.1748 -41.2427 -11.9552 TIMING: 726000 CPU: 2101.81, 0.00288538/step Wall: 2101.81, 0.00288538/step, 3.42559 hours remaining, 206.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 726000 757.8934 2089.1471 1932.6427 110.2789 -206382.3934 18212.2892 0.0000 0.0000 34468.4813 -148811.6609 301.0218 -183280.1421 -148717.8848 300.9009 93.8085 126.9693 559305.8251 9.4594 9.1231 PRESSURE: 726200 176.064 112.195 -28.9411 112.198 112.959 -25.5714 -28.9391 -25.5703 194.961 GPRESSURE: 726200 194.751 83.9192 -78.2707 107.837 173.5 -54.5013 -53.5019 34.3719 214.623 PRESSAVG: 726200 -40.7169 1.52569 17.0607 1.52568 -15.6581 -22.7728 17.0608 -22.7727 43.3478 GPRESSAVG: 726200 -40.5471 1.88719 16.7895 0.344456 -15.4498 -23.0906 16.9656 -22.2128 43.0672 TIMING: 726200 CPU: 2102.39, 0.00290316/step Wall: 2102.39, 0.00290316/step, 3.44654 hours remaining, 206.820312 MB of memory in use. ENERGY: 726200 732.9312 2162.3407 1951.9928 106.7575 -206279.7266 17987.0608 0.0000 0.0000 34450.6989 -148887.9446 300.8665 -183338.6435 -148795.1697 301.2734 161.3280 194.2912 558880.5933 -4.3424 -4.3099 PRESSURE: 726400 -209.675 45.8582 113.042 45.8586 -48.8265 87.8883 113.042 87.8885 19.7831 GPRESSURE: 726400 -149.151 63.2982 140.731 16.8156 -54.4848 47.783 109.475 127.764 74.6241 PRESSAVG: 726400 -42.5423 75.3294 20.076 75.3294 -10.6132 -28.4393 20.076 -28.4392 72.8491 GPRESSAVG: 726400 -41.8404 73.4361 20.0557 74.0926 -10.428 -27.851 19.4422 -29.3123 72.5408 TIMING: 726400 CPU: 2102.97, 0.00289472/step Wall: 2102.97, 0.00289472/step, 3.43636 hours remaining, 206.820312 MB of memory in use. ENERGY: 726400 767.1120 2076.9777 1957.2017 112.7182 -206086.7767 17725.2679 0.0000 0.0000 34447.4236 -149000.0755 300.8379 -183447.4992 -148900.9338 300.1984 -79.5727 -43.0040 558268.7916 6.5645 6.7575 PRESSURE: 726600 -148.233 92.5568 30.9811 92.556 47.1911 -107.366 30.9817 -107.366 -132.974 GPRESSURE: 726600 -80.1449 36.4218 -47.804 160.224 85.1432 -39.7931 101.928 -126.827 -152.736 PRESSAVG: 726600 1.58931 58.5592 51.9066 58.5592 -10.692 -70.0901 51.9067 -70.0901 31.7864 GPRESSAVG: 726600 1.172 57.7541 53.917 60.7274 -10.6434 -70.2336 50.0762 -68.1213 31.776 TIMING: 726600 CPU: 2103.55, 0.00291991/step Wall: 2103.55, 0.00291991/step, 3.4661 hours remaining, 206.820312 MB of memory in use. ENERGY: 726600 736.3158 2093.4933 1956.1161 119.8704 -206041.1536 17723.8874 0.0000 0.0000 34213.2780 -149198.1926 298.7931 -183411.4706 -149096.2376 299.6822 -78.0053 -49.2458 559506.7611 7.5612 7.4349 PRESSURE: 726800 276.013 -223.028 22.9579 -223.027 -315.218 -102.594 22.9581 -102.592 -28.9432 GPRESSURE: 726800 259.961 -189.683 -0.645292 -144.959 -225.029 -17.6395 42.3542 -141.964 -8.51728 PRESSAVG: 726800 25.2843 34.4739 -25.3485 34.474 -17.4695 -37.575 -25.3486 -37.5752 9.73498 GPRESSAVG: 726800 25.3003 36.7161 -28.4051 33.2489 -18.1908 -35.7486 -24.561 -39.7628 10.4854 TIMING: 726800 CPU: 2104.14, 0.00292787/step Wall: 2104.14, 0.00292787/step, 3.47538 hours remaining, 206.820312 MB of memory in use. ENERGY: 726800 732.0712 2117.8520 1964.9995 128.9887 -205938.4980 17626.2529 0.0000 0.0000 34168.5116 -149199.8220 298.4021 -183368.3336 -149104.9545 298.8944 -22.7162 8.8050 557739.1115 5.8499 5.8650 PRESSURE: 727000 6.85169 17.5672 15.4274 17.5695 39.8848 80.6246 15.427 80.6262 -220.294 GPRESSURE: 727000 29.3189 -10.5108 55.0772 47.4549 105.415 90.8749 -8.49163 156.965 -212.186 PRESSAVG: 727000 35.0092 -48.1434 34.5387 -48.1433 16.7386 -66.6061 34.5386 -66.6061 -74.8014 GPRESSAVG: 727000 35.094 -48.7127 34.715 -47.6659 17.33 -66.6364 37.128 -66.2935 -75.497 TIMING: 727000 CPU: 2104.72, 0.00293404/step Wall: 2104.72, 0.00293403/step, 3.48254 hours remaining, 206.820312 MB of memory in use. ENERGY: 727000 747.4109 2064.6721 1977.5806 140.5066 -206081.5516 17708.0431 0.0000 0.0000 34262.9667 -149180.3716 299.2270 -183443.3383 -149081.4446 299.0129 -57.8526 -25.8173 558517.8720 -7.6845 -7.6910 PRESSURE: 727200 17.0491 -110.591 21.3544 -110.592 -38.6584 -213.938 21.3545 -213.938 155.238 GPRESSURE: 727200 88.4805 -118.437 42.5189 -152.299 -8.50004 -132.767 -96.2138 -306.08 164.345 PRESSAVG: 727200 10.7686 -2.46869 -6.16117 -2.46864 -36.2555 30.2923 -6.16121 30.2923 26.9949 GPRESSAVG: 727200 9.88137 -1.67446 -3.90096 -3.13387 -36.4379 29.5434 -8.50051 28.7231 28.1462 TIMING: 727200 CPU: 2105.31, 0.00294094/step Wall: 2105.31, 0.00294094/step, 3.49056 hours remaining, 206.820312 MB of memory in use. ENERGY: 727200 769.2271 2036.5782 1952.8605 109.5746 -205837.8162 17808.7967 0.0000 0.0000 34080.6366 -149080.1425 297.6347 -183160.7791 -148984.4096 299.1627 44.5430 81.4417 557589.0682 0.5027 0.5299 PRESSURE: 727400 -185.392 10.442 35.8978 10.4438 -163.012 -42.7343 35.8965 -42.7342 -16.677 GPRESSURE: 727400 -138.841 132.852 -61.3744 -50.9446 -171.302 -73.699 211.385 3.90084 23.2952 PRESSAVG: 727400 42.0903 -1.61402 11.2505 -1.61397 -7.11784 -29.6468 11.2505 -29.6469 -20.8595 GPRESSAVG: 727400 42.6426 -3.57987 10.5179 -1.26186 -5.81683 -29.8634 11.2657 -29.3579 -22.6259 TIMING: 727400 CPU: 2105.9, 0.00294412/step Wall: 2105.9, 0.00294412/step, 3.49418 hours remaining, 206.820312 MB of memory in use. ENERGY: 727400 782.9975 2078.2791 1937.9439 108.9031 -206022.1668 17708.1432 0.0000 0.0000 34291.4806 -149114.4195 299.4760 -183405.9001 -149024.5413 299.1468 -121.6936 -95.6157 556286.1548 4.7043 4.7333 PRESSURE: 727600 -53.4792 38.1399 -59.8945 38.14 220.038 68.2187 -59.8943 68.2196 1.67127 GPRESSURE: 727600 -57.8299 -24.7214 -146.26 45.5535 252.466 60.0195 42.5984 73.0435 71.5074 PRESSAVG: 727600 38.3051 8.75815 9.39337 8.75816 -73.8888 -1.97995 9.39334 -1.98 29.292 GPRESSAVG: 727600 38.2386 9.14915 9.06219 8.28348 -74.7179 -3.77965 9.97272 0.40775 30.4519 TIMING: 727600 CPU: 2106.49, 0.00293447/step Wall: 2106.49, 0.00293447/step, 3.48257 hours remaining, 206.820312 MB of memory in use. ENERGY: 727600 747.1579 2093.8785 1944.4797 105.0140 -206384.8348 17962.5975 0.0000 0.0000 34384.2966 -149147.4106 300.2866 -183531.7071 -149056.7429 299.9223 56.0768 88.7146 558194.1464 -2.0972 -2.0091 PRESSURE: 727800 141.211 -26.5553 193.111 -26.5548 -223.573 -20.6483 193.111 -20.6491 -95.6823 GPRESSURE: 727800 150.235 -22.1576 166.457 -70.5354 -181.662 -56.9763 217.113 68.0491 -61.5406 PRESSAVG: 727800 37.9844 -30.0851 43.8226 -30.0852 20.336 -11.296 43.8226 -11.2961 -55.2311 GPRESSAVG: 727800 38.0398 -27.9538 44.3763 -27.971 19.9861 -9.3307 44.1747 -13.0755 -54.4409 TIMING: 727800 CPU: 2107.07, 0.00290999/step Wall: 2107.07, 0.00290999/step, 3.45335 hours remaining, 206.820312 MB of memory in use. ENERGY: 727800 776.9017 2052.0938 1951.3323 111.4103 -206240.0575 17814.2260 0.0000 0.0000 34278.5551 -149255.5383 299.3631 -183534.0935 -149166.2183 299.1954 -59.3481 -30.9894 557180.6264 1.0298 1.1950 PRESSURE: 728000 252.653 72.8764 -7.81088 72.8761 144.627 0.258483 -7.81017 0.2593 282.251 GPRESSURE: 728000 288.514 69.1466 -33.5123 104.749 165.747 35.1679 13.4288 45.9617 321.236 PRESSAVG: 728000 44.0748 12.3501 8.08949 12.3502 -60.1908 18.3125 8.08945 18.3125 20.6663 GPRESSAVG: 728000 45.0404 10.4417 8.15125 10.2213 -61.3562 18.2291 9.2343 18.471 20.613 TIMING: 728000 CPU: 2107.65, 0.00290826/step Wall: 2107.65, 0.00290826/step, 3.45113 hours remaining, 206.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 728000 736.0696 2139.1378 1959.9509 107.8596 -206547.7167 18119.9325 0.0000 0.0000 34179.7497 -149305.0166 298.5003 -183484.7663 -149209.6006 298.6412 226.5104 258.4989 556664.3307 1.5168 1.4324 PRESSURE: 728200 -284.706 -3.69548 17.5814 -3.69547 110.477 -91.3421 17.5823 -91.3426 61.5587 GPRESSURE: 728200 -270.714 -40.9379 -34.6696 61.3658 131.045 -60.722 10.9014 -116.39 107.403 PRESSAVG: 728200 -33.2386 23.7871 21.645 23.7873 28.1192 -23.1963 21.645 -23.1961 -27.7499 GPRESSAVG: 728200 -32.9652 25.2279 20.0267 24.4455 28.6691 -22.6304 21.8109 -24.4005 -29.091 TIMING: 728200 CPU: 2108.23, 0.00290045/step Wall: 2108.23, 0.00290045/step, 3.44171 hours remaining, 206.820312 MB of memory in use. ENERGY: 728200 768.7038 2046.9509 1923.7412 109.7033 -206187.6283 17967.5591 0.0000 0.0000 34145.4746 -149225.4955 298.2009 -183370.9700 -149126.1528 299.2811 -37.5570 -10.7552 557728.0850 -10.9564 -11.1290 LDB: ============= START OF LOAD BALANCING ============== 2111.61 LDB: ============== END OF LOAD BALANCING =============== 2111.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2111.61 LDB: ============= START OF LOAD BALANCING ============== 2111.9 LDB: Largest compute 4820 load 0.027430 is 23.3% of average load 0.117943 LDB: Average compute 0.001727 is 1.5% of average load 0.117943 LDB: TIME 2111.91 LOAD: AVG 0.117943 MAX 0.185643 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 2111.91 LOAD: AVG 0.117943 MAX 0.185643 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: TIME 2111.91 LOAD: AVG 0.117943 MAX 0.185643 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2111.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2111.91 PRESSURE: 728400 -173.862 -40.6339 -39.1187 -40.6338 -274.745 -26.4152 -39.117 -26.4135 -109.779 GPRESSURE: 728400 -207.167 -24.9637 -44.1467 -114.834 -222.843 89.9697 -62.8047 -13.8944 -34.398 PRESSAVG: 728400 -7.62806 -32.2515 -48.6505 -32.2517 57.0125 -6.81988 -48.6506 -6.81982 -26.5334 GPRESSAVG: 728400 -8.00932 -33.9567 -45.5223 -32.0731 57.3094 -6.83188 -50.3706 -7.31212 -26.294 TIMING: 728400 CPU: 2108.82, 0.00294037/step Wall: 2108.82, 0.00294037/step, 3.48891 hours remaining, 206.761719 MB of memory in use. ENERGY: 728400 753.6910 2021.6577 1979.4250 104.3002 -205754.8858 17455.6866 0.0000 0.0000 34334.4588 -149105.6666 299.8514 -183440.1254 -149003.8965 299.1233 -186.1285 -154.8025 558107.9612 7.6170 7.6687 PRESSURE: 728600 -175.254 177.935 6.47663 177.935 -83.8155 -34.2898 6.47751 -34.2891 -169.256 GPRESSURE: 728600 -114.667 210.293 83.255 206.7 -87.563 6.3844 27.8543 -49.6949 -138.206 PRESSAVG: 728600 -26.4396 39.0806 -82.8779 39.0805 -0.739365 -28.7152 -82.8779 -28.7152 19.7253 GPRESSAVG: 728600 -26.6454 40.1152 -83.3919 40.288 -2.06488 -29.0976 -84.0038 -28.8683 20.8481 TIMING: 728600 CPU: 2109.4, 0.00290139/step Wall: 2109.4, 0.00290139/step, 3.4425 hours remaining, 206.964844 MB of memory in use. ENERGY: 728600 695.4914 2058.8197 1956.8164 117.8117 -205400.3018 17386.0642 0.0000 0.0000 34358.9322 -148826.3662 300.0651 -183185.2984 -148723.4881 300.2162 -142.7749 -113.4785 556827.7872 -2.4846 -2.6207 PRESSURE: 728800 -159.409 89.4091 25.3284 89.4081 180.242 -91.03 25.3292 -91.0281 -8.62991 GPRESSURE: 728800 -114.328 133.755 1.70577 6.7288 204.875 -49.0611 87.4928 -80.6121 19.0279 PRESSAVG: 728800 -3.53375 -43.5022 27.0864 -43.502 15.1092 -27.9162 27.0864 -27.9162 17.3894 GPRESSAVG: 728800 -3.20649 -42.3949 26.2855 -46.5251 16.4597 -28.8483 28.1961 -24.404 15.8178 TIMING: 728800 CPU: 2109.98, 0.00290798/step Wall: 2109.98, 0.00290798/step, 3.45015 hours remaining, 206.964844 MB of memory in use. ENERGY: 728800 731.6319 2078.6351 1981.2859 106.9207 -205737.8765 17666.7640 0.0000 0.0000 34353.3886 -148819.2503 300.0167 -183172.6389 -148724.7487 300.4736 4.0679 36.5249 556271.2735 9.6550 9.6903 PRESSURE: 729000 -320.146 30.0202 -45.8717 30.0197 -249.05 15.0589 -45.8704 15.0587 -45.7083 GPRESSURE: 729000 -323.796 54.6519 -74.6001 16.4437 -161.21 33.5399 -94.8245 -113.729 -31.0261 PRESSAVG: 729000 -61.4211 -55.1423 -22.6833 -55.1423 40.7051 -19.262 -22.6833 -19.2621 -7.51055 GPRESSAVG: 729000 -61.4631 -55.377 -21.4938 -52.2097 40.0323 -17.8286 -22.6844 -21.5406 -6.82666 TIMING: 729000 CPU: 2110.56, 0.00290934/step Wall: 2110.56, 0.00290934/step, 3.45161 hours remaining, 206.964844 MB of memory in use. ENERGY: 729000 719.9465 2084.5658 1964.1223 106.4639 -205786.2372 17540.6268 0.0000 0.0000 34494.4370 -148876.0749 301.2485 -183370.5119 -148779.5395 301.0871 -204.9681 -172.0107 558435.6947 -9.4088 -9.4191 PRESSURE: 729200 -117.992 -0.223491 31.5113 -0.223 -21.6355 -114.777 31.5098 -114.777 33.5213 GPRESSURE: 729200 -73.6095 92.5702 -10.6264 9.91435 47.1874 -156.994 87.2347 -34.0449 19.295 PRESSAVG: 729200 -25.503 53.5672 -46.0397 53.5673 15.1742 -11.4461 -46.0396 -11.4462 -5.68238 GPRESSAVG: 729200 -25.9494 53.2211 -48.3464 53.692 15.3322 -13.1549 -45.0088 -11.4386 -6.06484 TIMING: 729200 CPU: 2111.14, 0.00291303/step Wall: 2111.14, 0.00291303/step, 3.45582 hours remaining, 206.964844 MB of memory in use. ENERGY: 729200 766.7355 2081.9496 1917.9450 112.8960 -206384.9038 17853.8037 0.0000 0.0000 34571.7912 -149079.7827 301.9241 -183651.5739 -148988.7658 300.6436 -35.3687 -2.3757 557633.7656 -5.3370 -5.5607 PRESSURE: 729400 -193.992 83.8622 14.6242 83.8604 -8.38071 34.6473 14.6247 34.6464 -249.621 GPRESSURE: 729400 -110.448 77.3558 -22.4447 10.4171 -71.925 12.7321 17.5168 48.7979 -166.58 PRESSAVG: 729400 -12.5768 38.4247 -26.2369 38.4248 79.5663 7.50655 -26.237 7.50674 -61.4188 GPRESSAVG: 729400 -13.1474 38.0288 -26.1039 37.7346 79.6898 8.25634 -25.7872 7.11092 -61.3945 TIMING: 729400 CPU: 2111.73, 0.00290897/step Wall: 2111.73, 0.00290897/step, 3.45085 hours remaining, 206.964844 MB of memory in use. ENERGY: 729400 726.2278 2072.2533 1969.1462 116.6918 -205925.9618 17633.6136 0.0000 0.0000 34358.3778 -149049.6513 300.0603 -183408.0291 -148950.1207 299.6006 -150.6645 -116.3177 558341.7563 1.8569 1.7160 PRESSURE: 729600 -231.28 30.3544 117.08 30.3539 -415.781 -33.9229 117.081 -33.9249 -166.957 GPRESSURE: 729600 -143.416 45.0846 122.824 31.546 -402.408 -47.9023 102.334 -3.88056 -176.297 PRESSAVG: 729600 46.9329 5.34819 22.1122 5.34827 -54.335 3.41347 22.1122 3.41349 -2.04152 GPRESSAVG: 729600 48.6707 7.12599 24.0031 6.29496 -54.1617 2.09902 22.0579 5.05616 -3.49958 TIMING: 729600 CPU: 2112.3, 0.00288975/step Wall: 2112.3, 0.00288974/step, 3.42788 hours remaining, 206.964844 MB of memory in use. ENERGY: 729600 741.0425 2154.6828 1953.4868 122.1975 -205803.1204 17432.8435 0.0000 0.0000 34462.0600 -148936.8072 300.9657 -183398.8673 -148839.1202 300.2203 -271.3396 -240.7069 559875.6927 -3.1479 -2.9968 PRESSURE: 729800 -108.445 -97.5079 105.063 -97.5069 -222.363 125.251 105.064 125.251 18.3365 GPRESSURE: 729800 -90.1365 -185.826 159.042 -83.947 -139.087 131.388 53.6976 83.3702 2.76413 PRESSAVG: 729800 -26.7105 -45.7422 57.4473 -45.7423 -49.8738 -15.9963 57.4474 -15.9962 18.8719 GPRESSAVG: 729800 -28.3583 -46.4528 55.8273 -45.8126 -48.5807 -15.0083 56.5657 -16.9684 20.0629 TIMING: 729800 CPU: 2112.88, 0.00289883/step Wall: 2112.88, 0.00289883/step, 3.43849 hours remaining, 206.964844 MB of memory in use. ENERGY: 729800 757.0692 2081.7047 1945.2802 119.7313 -205905.6175 17734.4013 0.0000 0.0000 34428.5520 -148838.8788 300.6731 -183267.4308 -148744.3932 300.6376 -104.1571 -75.4866 559877.6196 -19.2375 -18.9587 PRESSURE: 730000 355.529 -77.0938 71.6534 -77.0943 65.211 189.334 71.6531 189.334 195.048 GPRESSURE: 730000 428.75 -10.428 -3.08759 -118.097 87.9341 172.545 -10.148 161.511 193.938 PRESSAVG: 730000 62.7193 19.3536 58.4907 19.3537 -60.0652 39.9158 58.4907 39.9158 20.1079 GPRESSAVG: 730000 62.7963 20.0117 59.1719 17.1737 -60.1519 40.1252 57.3253 39.9234 19.4413 TIMING: 730000 CPU: 2113.47, 0.00291318/step Wall: 2113.47, 0.00291318/step, 3.45536 hours remaining, 206.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 730000 733.7291 2130.3465 1948.2078 125.8517 -206278.4196 18180.4759 0.0000 0.0000 34396.6744 -148763.1343 300.3947 -183159.8087 -148667.2179 300.1394 205.2627 236.8739 559825.8632 7.5874 7.3619 PRESSURE: 730200 -291.348 4.20497 101.928 4.20548 8.28253 -81.1231 101.93 -81.1245 304.29 GPRESSURE: 730200 -244.186 39.6857 87.5554 5.43067 24.29 5.73952 143.98 -128.723 336.697 PRESSAVG: 730200 12.0598 -1.5796 -26.0706 -1.57944 -87.4684 5.29337 -26.0705 5.29332 65.4836 GPRESSAVG: 730200 11.9736 -3.14001 -25.1429 1.33585 -88.4975 5.44472 -24.011 5.81384 65.9197 TIMING: 730200 CPU: 2114.05, 0.00293365/step Wall: 2114.05, 0.00293365/step, 3.47947 hours remaining, 206.964844 MB of memory in use. ENERGY: 730200 741.8637 2068.3046 1951.0111 123.7325 -205930.5427 17737.1490 0.0000 0.0000 34417.8642 -148890.6177 300.5798 -183308.4819 -148795.8865 299.9848 7.0749 38.9337 559191.7187 -3.3083 -3.5347 PRESSURE: 730400 -44.833 13.0378 -21.7137 13.0373 -12.5756 -139.234 -21.714 -139.234 24.9455 GPRESSURE: 730400 -8.27358 24.4903 20.8175 -79.3489 16.1039 -182.109 -0.57312 -108.349 67.3753 PRESSAVG: 730400 -29.5072 -6.62511 -27.7553 -6.62525 -22.2112 -35.387 -27.7554 -35.387 14.9316 GPRESSAVG: 730400 -29.5376 -5.13188 -28.0812 -6.94582 -21.4889 -35.3984 -28.0792 -36.298 14.5098 TIMING: 730400 CPU: 2114.64, 0.00291052/step Wall: 2114.64, 0.00291052/step, 3.45187 hours remaining, 206.964844 MB of memory in use. ENERGY: 730400 726.4854 2156.4825 1931.2969 125.9067 -206100.3687 17772.1607 0.0000 0.0000 34384.7181 -149003.3184 300.2903 -183388.0365 -148906.0236 299.8967 -10.8210 25.0686 558711.8463 -12.2623 -12.1722 PRESSURE: 730600 140.532 32.4158 -14.923 32.4176 -131.884 -100.87 -14.9212 -100.868 -107.347 GPRESSURE: 730600 151.236 12.8197 -18.9846 39.3358 -64.388 -84.877 -74.6821 -97.4174 -84.4904 PRESSAVG: 730600 -1.48924 -17.1563 23.6884 -17.1563 21.7281 -46.1242 23.6884 -46.1242 -9.56192 GPRESSAVG: 730600 -2.17618 -17.3618 23.7325 -17.6521 22.3582 -45.5111 24.3878 -46.0197 -9.45111 TIMING: 730600 CPU: 2115.22, 0.002917/step Wall: 2115.22, 0.002917/step, 3.4594 hours remaining, 206.964844 MB of memory in use. ENERGY: 730600 748.1930 2084.2308 1936.8199 124.1430 -206030.2884 17629.9606 0.0000 0.0000 34408.3258 -149098.6154 300.4965 -183506.9412 -149003.3011 299.8746 -32.8995 0.7858 557661.5269 3.5590 3.5770 PRESSURE: 730800 64.2711 4.34853 44.8454 4.348 77.8102 -152.735 44.8458 -152.735 -6.19111 GPRESSURE: 730800 94.7666 25.9998 86.3013 59.3862 120.185 -180.275 0.26586 -153.753 26.542 PRESSAVG: 730800 -76.1058 -18.793 45.0418 -18.793 10.5893 -14.6366 45.0418 -14.6365 74.543 GPRESSAVG: 730800 -75.2784 -18.6056 47.0119 -19.2711 9.47018 -16.5412 45.1886 -13.154 75.0922 TIMING: 730800 CPU: 2115.8, 0.00289171/step Wall: 2115.8, 0.00289171/step, 3.42925 hours remaining, 206.964844 MB of memory in use. ENERGY: 730800 753.3366 2140.2769 1947.4608 106.3828 -206121.7186 17848.6611 0.0000 0.0000 34521.2423 -148804.3581 301.4826 -183325.6003 -148711.5449 300.8129 45.2967 80.4980 556451.4791 3.0088 3.0947 PRESSURE: 731000 16.69 -22.316 -50.0071 -22.3162 114.336 -135.988 -50.0054 -135.987 24.2854 GPRESSURE: 731000 66.698 16.06 41.0879 11.2693 89.0874 -144.163 -76.3806 -47.4983 84.6314 PRESSAVG: 731000 -15.2776 -31.2564 -9.8989 -31.2563 48.8723 -45.7876 -9.89891 -45.7877 -22.8857 GPRESSAVG: 731000 -15.1396 -32.9613 -9.47263 -32.058 50.1432 -46.8551 -12.1794 -44.4502 -23.9979 TIMING: 731000 CPU: 2116.38, 0.0028995/step Wall: 2116.38, 0.0028995/step, 3.43832 hours remaining, 206.964844 MB of memory in use. ENERGY: 731000 745.9565 2111.4195 1950.0295 111.8139 -206051.9734 17912.5556 0.0000 0.0000 34339.9175 -148880.2810 299.8990 -183220.1984 -148783.0254 300.6416 51.7705 80.1390 557444.6158 3.5697 3.6686 PRESSURE: 731200 -54.8918 -82.0462 51.5409 -82.0471 64.7286 -55.8342 51.5399 -55.834 80.4994 GPRESSURE: 731200 5.62074 -76.7082 126.623 -158.559 73.2564 -65.4659 -10.7984 -81.7062 106.444 PRESSAVG: 731200 -5.19484 -28.4399 -12.8792 -28.4399 11.4807 -34.6168 -12.8792 -34.6167 23.4912 GPRESSAVG: 731200 -4.82287 -27.6596 -14.0862 -27.8195 11.2022 -31.5861 -11.9692 -38.8051 23.9878 TIMING: 731200 CPU: 2116.96, 0.00290511/step Wall: 2116.96, 0.00290511/step, 3.44481 hours remaining, 206.964844 MB of memory in use. ENERGY: 731200 748.9306 2092.9074 1986.7886 126.4034 -206079.1242 17895.7318 0.0000 0.0000 34306.8928 -148921.4697 299.6106 -183228.3624 -148821.7461 300.6864 30.1120 61.7738 558853.0461 9.9257 10.1224 PRESSURE: 731400 2.9908 51.8827 -230.936 51.881 48.4739 59.4542 -230.937 59.4525 46.2152 GPRESSURE: 731400 20.254 16.8464 -171.768 -26.6774 54.0801 -9.43052 -280.089 136.864 119.523 PRESSAVG: 731400 -81.9937 4.18614 -43.3813 4.1862 28.8018 -19.4907 -43.3813 -19.4908 13.6992 GPRESSAVG: 731400 -82.4464 5.30798 -43.185 4.17637 29.4825 -20.2084 -43.2688 -17.8527 13.656 TIMING: 731400 CPU: 2117.54, 0.00292559/step Wall: 2117.54, 0.00292559/step, 3.46893 hours remaining, 206.964844 MB of memory in use. ENERGY: 731400 768.9249 2111.6936 1960.6248 96.7961 -206098.5350 17858.0507 0.0000 0.0000 34317.9479 -148984.4971 299.7072 -183302.4449 -148886.5132 300.2033 32.5600 64.6189 557687.0765 -13.1642 -13.1026 PRESSURE: 731600 119.439 166.498 87.8442 166.497 41.4568 44.2361 87.8446 44.2344 310.686 GPRESSURE: 731600 97.9441 127.247 68.1088 191.492 98.0417 -1.78643 135.281 75.7698 361.987 PRESSAVG: 731600 22.9347 8.82452 -17.993 8.82448 28.5374 -4.55875 -17.9929 -4.55872 3.79211 GPRESSAVG: 731600 23.7121 8.83545 -18.5826 7.52149 27.9839 -4.89155 -17.5789 -5.30147 3.41988 TIMING: 731600 CPU: 2118.12, 0.00290493/step Wall: 2118.12, 0.00290493/step, 3.44428 hours remaining, 206.964844 MB of memory in use. ENERGY: 731600 759.1793 2122.5100 1936.3776 123.4677 -206379.8726 18021.1210 0.0000 0.0000 34463.2002 -148954.0168 300.9757 -183417.2169 -148856.8045 300.4280 157.1941 185.9910 556664.4156 18.4214 18.3719 PRESSURE: 731800 -76.2008 -21.3209 92.2211 -21.32 -18.6056 -165.279 92.22 -165.28 154.493 GPRESSURE: 731800 -5.16102 -38.9622 59.3489 -43.2172 -11.2408 -122.702 125.654 -54.2966 181.384 PRESSAVG: 731800 25.1583 2.21256 -8.97359 2.21257 27.069 -17.6701 -8.97355 -17.6701 -24.8055 GPRESSAVG: 731800 25.1652 0.672249 -9.69645 3.99802 26.7796 -18.6763 -7.85696 -16.2056 -24.3856 TIMING: 731800 CPU: 2118.71, 0.00291217/step Wall: 2118.71, 0.00291217/step, 3.45271 hours remaining, 206.964844 MB of memory in use. ENERGY: 731800 732.2470 2080.4779 1979.9118 116.1800 -206110.3475 17878.3243 0.0000 0.0000 34353.4443 -148969.7622 300.0172 -183323.2064 -148878.2304 300.2052 19.8956 54.9941 557712.0172 9.1406 9.1864 PRESSURE: 732000 49.6084 63.8695 -124.78 63.8687 222.212 110.749 -124.78 110.748 16.8824 GPRESSURE: 732000 110.196 55.0773 -136.103 69.0809 259.475 127.723 -124.215 121.885 12.8927 PRESSAVG: 732000 55.0781 44.0822 -10.7904 44.0822 27.1381 11.1364 -10.7904 11.1364 -46.6745 GPRESSAVG: 732000 55.8933 45.028 -9.56617 42.4665 27.2211 9.86055 -12.4885 10.9982 -47.4886 TIMING: 732000 CPU: 2119.29, 0.00290935/step Wall: 2119.29, 0.00290935/step, 3.4492 hours remaining, 206.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 732000 733.5522 2086.8777 1978.5116 114.2425 -206084.5943 17867.2504 0.0000 0.0000 34351.0255 -148953.1343 299.9960 -183304.1598 -148849.9907 300.1737 96.2344 127.5214 555995.8519 11.8472 11.8753 PRESSURE: 732200 361.473 -13.7065 9.09891 -13.7067 183.347 -172.485 9.09803 -172.485 166.251 GPRESSURE: 732200 419.968 -9.54522 -1.20265 -52.2503 188.295 -173.836 25.1416 -163.006 200.295 PRESSAVG: 732200 31.9894 26.1449 24.3305 26.1449 -21.8382 12.0677 24.3304 12.0676 -35.5949 GPRESSAVG: 732200 31.0143 27.6935 22.6328 25.4422 -21.8713 13.0269 24.8428 11.6403 -34.6601 TIMING: 732200 CPU: 2119.87, 0.00291047/step Wall: 2119.87, 0.00291047/step, 3.45036 hours remaining, 206.964844 MB of memory in use. ENERGY: 732200 731.5062 2024.0508 1982.0906 126.8135 -206058.1867 18030.4392 0.0000 0.0000 34168.6271 -148994.6593 298.4031 -183163.2864 -148894.1126 299.9168 237.0237 269.5194 556465.4048 -8.4812 -8.5057 LDB: ============= START OF LOAD BALANCING ============== 2123.26 LDB: ============== END OF LOAD BALANCING =============== 2123.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2123.26 LDB: ============= START OF LOAD BALANCING ============== 2123.55 LDB: Largest compute 4820 load 0.025487 is 21.6% of average load 0.117901 LDB: Average compute 0.001713 is 1.5% of average load 0.117901 LDB: TIME 2123.55 LOAD: AVG 0.117901 MAX 0.185068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.723 MB LDB: TIME 2123.55 LOAD: AVG 0.117901 MAX 0.185068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.73 MB LDB: TIME 2123.55 LOAD: AVG 0.117901 MAX 0.185068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2123.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2123.56 PRESSURE: 732400 -42.9786 -88.5135 98.5694 -88.515 58.116 87.5089 98.57 87.5086 -49.4229 GPRESSURE: 732400 16.5382 -156.731 135.107 -7.45257 16.525 40.649 77.5353 71.3904 17.803 PRESSAVG: 732400 41.9234 10.6356 60.4418 10.6356 -43.6534 -27.9311 60.4418 -27.9311 65.6313 GPRESSAVG: 732400 40.5319 7.53998 61.9765 14.1638 -43.4615 -27.4832 58.7392 -28.7157 66.636 TIMING: 732400 CPU: 2120.46, 0.00294547/step Wall: 2120.46, 0.00294547/step, 3.49169 hours remaining, 207.910156 MB of memory in use. ENERGY: 732400 717.9903 2011.4388 1946.8130 122.4581 -206201.5170 17896.3918 0.0000 0.0000 34397.9143 -149108.5106 300.4055 -183506.4249 -149010.2271 299.6218 -11.4285 16.9554 557736.1442 21.3004 21.2355 PRESSURE: 732600 -17.5505 -20.9159 176.147 -20.916 -24.9161 -117.846 176.148 -117.845 95.0734 GPRESSURE: 732600 12.6739 -144.633 180.201 68.0808 78.0161 -147.79 171.885 -156.464 54.5339 PRESSAVG: 732600 1.53653 -20.3133 24.659 -20.3134 -47.6839 -21.0983 24.6589 -21.0983 61.2757 GPRESSAVG: 732600 2.27574 -21.3832 23.2324 -19.5269 -48.3975 -22.7013 27.8237 -20.6103 61.1123 TIMING: 732600 CPU: 2121.04, 0.00289735/step Wall: 2121.04, 0.00289735/step, 3.43449 hours remaining, 207.910156 MB of memory in use. ENERGY: 732600 733.9791 2070.7741 1936.9739 109.8964 -205989.7854 17747.8984 0.0000 0.0000 34366.5275 -149023.7361 300.1314 -183390.2636 -148926.1004 299.6507 17.5356 48.4080 556497.6817 5.0428 4.9969 PRESSURE: 732800 -19.8222 -154.329 139.47 -154.327 -83.1932 -132.473 139.47 -132.473 -5.00698 GPRESSURE: 732800 33.6747 -203.567 165.669 -90.4497 3.74028 -147.728 140.857 -105.058 -47.3028 PRESSAVG: 732800 -17.2491 -15.4292 -14.4726 -15.4292 37.6609 53.7587 -14.4726 53.7586 1.01722 GPRESSAVG: 732800 -17.4748 -13.311 -14.4549 -16.9916 38.6195 57.0226 -14.9811 51.5758 0.212803 TIMING: 732800 CPU: 2121.62, 0.00288456/step Wall: 2121.62, 0.00288456/step, 3.41916 hours remaining, 207.910156 MB of memory in use. ENERGY: 732800 731.9482 2066.9276 1958.1080 105.1368 -205509.9000 17376.6098 0.0000 0.0000 34499.9942 -148771.1754 301.2970 -183271.1696 -148673.5062 300.2938 -36.0075 -3.2959 556286.8104 7.1430 7.1192 PRESSURE: 733000 -248.509 88.1948 -35.2335 88.1955 -196.764 116.822 -35.2348 116.82 -230.478 GPRESSURE: 733000 -229.13 171.14 -14.7055 42.4974 -124.822 50.077 -114.822 156.632 -216.953 PRESSAVG: 733000 18.0098 -34.9153 5.87652 -34.9153 -32.9429 55.2578 5.87635 55.2577 -8.60145 GPRESSAVG: 733000 18.7237 -35.9583 6.71228 -35.2337 -33.5571 54.3585 3.75064 58.025 -8.40445 TIMING: 733000 CPU: 2122.2, 0.00289786/step Wall: 2122.2, 0.00289786/step, 3.43477 hours remaining, 207.910156 MB of memory in use. ENERGY: 733000 744.2760 2112.7018 1963.0014 102.8983 -205790.2617 17474.7465 0.0000 0.0000 34551.0440 -148841.5937 301.7429 -183392.6377 -148752.6649 300.0179 -225.2505 -190.3016 557806.9557 -7.8448 -7.7460 PRESSURE: 733200 -141.037 10.9702 80.2993 10.9701 -102.521 32.1251 80.299 32.1264 -11.8332 GPRESSURE: 733200 -90.4774 23.0481 65.0955 35.5928 -39.5271 15.9942 84.5417 106.965 -16.5633 PRESSAVG: 733200 -2.69037 51.4306 -20.9876 51.4306 43.118 34.1593 -20.9876 34.1593 -51.1851 GPRESSAVG: 733200 -1.94898 53.4704 -19.274 50.1555 42.7427 31.8388 -20.7119 35.7008 -51.3253 TIMING: 733200 CPU: 2122.77, 0.00288459/step Wall: 2122.77, 0.00288459/step, 3.41888 hours remaining, 207.910156 MB of memory in use. ENERGY: 733200 775.7892 2065.0391 1961.5708 126.9960 -205809.8184 17670.9129 0.0000 0.0000 34410.0325 -148799.4778 300.5114 -183209.5103 -148705.4919 300.5342 -85.1305 -48.8559 558017.0288 -3.5858 -3.5105 PRESSURE: 733400 -206.812 95.0214 67.574 95.0227 -273.509 48.6678 67.5735 48.6676 113.582 GPRESSURE: 733400 -207.816 133.003 93.3433 69.1768 -213.77 16.6526 44.287 46.8622 150.492 PRESSAVG: 733400 71.0647 2.14975 -57.449 2.14979 -27.5315 15.7162 -57.449 15.7162 -16.7464 GPRESSAVG: 733400 69.8726 2.25949 -56.2977 0.694146 -26.2759 17.5386 -59.1829 13.7254 -16.5756 TIMING: 733400 CPU: 2123.35, 0.00291072/step Wall: 2123.35, 0.00291072/step, 3.44969 hours remaining, 208.167969 MB of memory in use. ENERGY: 733400 735.8382 2129.9505 1958.4940 107.1553 -205776.2602 17471.1301 0.0000 0.0000 34448.0378 -148925.6542 300.8433 -183373.6921 -148832.8964 300.5770 -122.2464 -90.3648 558196.3689 8.9290 9.0070 PRESSURE: 733600 -31.6746 72.479 45.0231 72.4792 -41.8412 -111.055 45.0219 -111.054 86.3442 GPRESSURE: 733600 -42.9491 68.2756 -23.8061 -7.9899 59.2773 -124.092 14.0048 -115.28 92.3091 PRESSAVG: 733600 -48.4874 -54.2823 -14.7744 -54.2824 7.88159 -0.582772 -14.7743 -0.582763 27.9774 GPRESSAVG: 733600 -48.5226 -53.373 -18.4153 -54.0825 7.21756 -1.70373 -11.7794 0.0286327 28.5002 TIMING: 733600 CPU: 2123.93, 0.00289626/step Wall: 2123.93, 0.00289626/step, 3.43239 hours remaining, 208.167969 MB of memory in use. ENERGY: 733600 715.9164 2095.4124 1940.3069 118.4244 -205742.7817 17629.2465 0.0000 0.0000 34322.9338 -148920.5413 299.7507 -183243.4750 -148826.3838 299.8779 4.2761 36.2124 556529.6553 -4.2095 -4.2683 PRESSURE: 733800 -68.7299 18.0905 -10.7558 18.0901 117.379 90.579 -10.7554 90.5777 -47.8605 GPRESSURE: 733800 -38.9399 109.757 32.1434 80.457 115.868 56.7471 -58.5113 98.2209 16.3719 PRESSAVG: 733800 -15.6153 -11.2979 -52.9962 -11.298 -5.97291 -56.036 -52.9961 -56.0362 48.4743 GPRESSAVG: 733800 -15.3326 -13.6575 -53.0452 -8.40266 -6.80321 -54.4782 -52.6689 -54.9533 48.8858 TIMING: 733800 CPU: 2124.52, 0.00290556/step Wall: 2124.52, 0.00290556/step, 3.44325 hours remaining, 208.167969 MB of memory in use. ENERGY: 733800 753.4870 2103.7998 1940.8377 106.0182 -205906.6418 17779.7912 0.0000 0.0000 34309.3894 -148913.3186 299.6324 -183222.7080 -148818.5082 300.3903 0.2630 31.0999 556602.9861 8.9620 8.9166 PRESSURE: 734000 -63.9384 62.6766 -128.11 62.6753 41.7091 -35.7992 -128.11 -35.798 -105.653 GPRESSURE: 734000 27.7359 52.5976 -170.501 121.639 11.4762 -103.745 -25.9019 -47.9241 -62.5628 PRESSAVG: 734000 -29.5737 -6.87417 -3.2605 -6.87419 -18.4798 -38.5045 -3.2605 -38.5047 53.5855 GPRESSAVG: 734000 -29.9869 -5.36591 -1.91609 -7.95631 -18.0175 -39.6791 -3.30245 -39.6772 53.0888 TIMING: 734000 CPU: 2125.09, 0.00289791/step Wall: 2125.09, 0.00289791/step, 3.43402 hours remaining, 208.167969 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: 734000 696.1254 2085.5799 1959.4602 108.5945 -205995.9605 17741.2849 0.0000 0.0000 34302.3829 -149102.5327 299.5712 -183404.9156 -149000.2683 299.7725 -42.6274 -7.7836 557940.2686 1.8440 1.6948 PRESSURE: 734200 -18.4964 14.3188 69.019 14.3184 -54.2591 110.603 69.0193 110.603 -192.27 GPRESSURE: 734200 40.039 -62.4329 53.2729 -17.2351 -39.5379 132.066 22.14 149.556 -161.499 PRESSAVG: 734200 0.634398 -8.8973 13.8004 -8.89729 -4.61044 -40.2443 13.8004 -40.2445 8.12542 GPRESSAVG: 734200 0.0783956 -10.0348 14.099 -11.3283 -4.9261 -40.7641 11.5409 -40.0047 8.59584 TIMING: 734200 CPU: 2125.67, 0.00289353/step Wall: 2125.67, 0.00289353/step, 3.42868 hours remaining, 208.167969 MB of memory in use. ENERGY: 734200 750.3616 2114.3561 1925.5155 108.9482 -205841.3170 17709.0671 0.0000 0.0000 34270.6537 -148962.4148 299.2941 -183233.0685 -148865.8085 299.2379 -88.3419 -53.6660 558232.8875 1.3831 1.2494 PRESSURE: 734400 13.9597 -120.216 -93.4625 -120.217 -6.53328 69.3108 -93.4633 69.3098 -204.768 GPRESSURE: 734400 78.01 -192.283 -16.0995 -112.562 33.0279 50.818 -146.457 42.3306 -204.286 PRESSAVG: 734400 -9.0423 -18.1869 19.6952 -18.1868 30.7883 -46.2465 19.6952 -46.2464 -22.0412 GPRESSAVG: 734400 -8.1529 -19.1535 19.8319 -16.2406 31.7021 -44.9651 21.1043 -44.4558 -23.6293 TIMING: 734400 CPU: 2126.25, 0.00289597/step Wall: 2126.25, 0.00289597/step, 3.43141 hours remaining, 208.167969 MB of memory in use. ENERGY: 734400 737.1051 2109.5336 1913.8685 106.0652 -205662.7460 17581.3739 0.0000 0.0000 34271.6020 -148943.1978 299.3024 -183214.7998 -148843.4870 299.4941 -65.7806 -31.0827 557499.7958 -0.0984 -0.0267 PRESSURE: 734600 -224.676 -85.9541 20.2759 -85.9553 -360.108 66.3761 20.2746 66.3772 -32.9068 GPRESSURE: 734600 -159.515 -118.401 37.294 -38.243 -317.728 86.1419 9.91202 84.8196 -37.7496 PRESSAVG: 734600 -3.411 -25.9462 32.6304 -25.9461 0.955058 -24.6925 32.6303 -24.6924 -0.0777467 GPRESSAVG: 734600 -5.27162 -22.5871 32.2166 -27.5298 0.341041 -24.1748 32.8555 -25.7164 2.15001 TIMING: 734600 CPU: 2126.83, 0.00289718/step Wall: 2126.83, 0.00289718/step, 3.43268 hours remaining, 208.167969 MB of memory in use. ENERGY: 734600 774.4737 2102.7523 1930.8405 102.0852 -205873.7829 17632.3490 0.0000 0.0000 34324.7138 -149006.5684 299.7663 -183331.2822 -148909.3302 299.4871 -205.8970 -171.6640 558426.0177 -0.8446 -0.9269 PRESSURE: 734800 -190.165 -77.6453 -34.5062 -77.6448 -70.0146 49.3075 -34.5059 49.3069 -354.481 GPRESSURE: 734800 -182.123 -42.07 -17.8591 -80.0692 -39.2897 41.2991 -11.3703 21.8333 -287.865 PRESSAVG: 734800 -27.1065 -25.2557 56.4202 -25.2556 27.3887 22.6796 56.4202 22.6796 -28.4498 GPRESSAVG: 734800 -25.8127 -27.6978 56.0516 -23.234 27.7844 22.3725 54.543 23.0768 -29.666 TIMING: 734800 CPU: 2127.41, 0.00289819/step Wall: 2127.41, 0.00289819/step, 3.43371 hours remaining, 208.167969 MB of memory in use. ENERGY: 734800 737.4948 2111.0843 1935.5124 107.7817 -205491.1933 17560.1546 0.0000 0.0000 34148.9353 -148890.2300 298.2311 -183039.1654 -148799.0893 299.4050 -204.8867 -169.7592 558346.0928 -9.3892 -9.2315 PRESSURE: 735000 89.1974 -120.086 48.6348 -120.085 145.992 -24.3629 48.6352 -24.3622 -248.771 GPRESSURE: 735000 92.7418 -176.461 -14.5237 -139.43 152.782 -29.4667 -7.23337 6.94125 -162.256 PRESSAVG: 735000 6.19837 -10.1667 52.1784 -10.1668 43.7754 -16.6645 52.1783 -16.6644 -24.5043 GPRESSAVG: 735000 6.38858 -9.62289 52.9281 -11.613 43.2338 -17.0434 54.3679 -18.2874 -23.9002 TIMING: 735000 CPU: 2127.99, 0.00289307/step Wall: 2127.99, 0.00289307/step, 3.42748 hours remaining, 208.167969 MB of memory in use. ENERGY: 735000 740.9096 2069.0087 1909.8877 111.4948 -205837.9918 17763.6156 0.0000 0.0000 34317.7112 -148925.3642 299.7051 -183243.0753 -148832.3486 300.2458 -4.5270 27.7559 556605.1737 8.4898 8.5741 PRESSURE: 735200 -96.7925 -60.8094 72.4178 -60.8105 74.7497 62.6926 72.418 62.6939 212.04 GPRESSURE: 735200 -98.3889 -53.9266 124.632 -45.054 94.8588 22.2748 26.2587 12.7265 279.704 PRESSAVG: 735200 10.1879 20.6194 -5.36587 20.6194 7.23571 -4.46741 -5.36582 -4.46731 9.63814 GPRESSAVG: 735200 10.7865 21.4276 -4.5855 22.1089 7.36571 -3.63322 -6.18447 -3.39912 9.00982 TIMING: 735200 CPU: 2128.57, 0.00287571/step Wall: 2128.57, 0.00287571/step, 3.40676 hours remaining, 208.167969 MB of memory in use. ENERGY: 735200 758.2129 2073.5414 1934.2198 112.7778 -206050.9595 17823.9392 0.0000 0.0000 34377.8045 -148970.4639 300.2299 -183348.2684 -148879.6055 300.6660 63.3324 92.0579 557261.9661 9.0206 9.0540 PRESSURE: 735400 120.325 -50.8075 59.9544 -50.8067 -217.825 -127.774 59.9543 -127.775 -45.0474 GPRESSURE: 735400 172.165 -126.032 28.3725 -80.3483 -219.399 -44.1515 80.0952 -133.267 13.5985 PRESSAVG: 735400 9.83097 10.2214 18.1541 10.2214 -43.8448 14.7014 18.1541 14.7014 10.8963 GPRESSAVG: 735400 10.3986 9.33763 17.6774 8.50795 -44.1259 12.7761 18.8399 14.7166 10.8642 TIMING: 735400 CPU: 2129.14, 0.0028835/step Wall: 2129.14, 0.0028835/step, 3.41583 hours remaining, 208.167969 MB of memory in use. ENERGY: 735400 731.9280 2066.7261 1927.5941 131.3653 -205629.7497 17669.9363 0.0000 0.0000 34228.9661 -148873.2338 298.9301 -183102.1999 -148774.7235 300.1908 -47.5157 -11.2116 557948.6501 -7.7058 -7.6210 PRESSURE: 735600 329.027 32.2315 143.919 32.2307 28.2706 -19.1477 143.919 -19.1487 140.835 GPRESSURE: 735600 356.163 -87.7577 127.911 160.143 96.2244 65.4444 99.6848 -101.665 138.256 PRESSAVG: 735600 71.3829 49.559 32.8587 49.559 -42.5053 -30.3546 32.8587 -30.3546 -24.2669 GPRESSAVG: 735600 71.6941 49.9264 31.5971 49.2144 -41.0353 -32.1082 31.7414 -27.6812 -26.1629 TIMING: 735600 CPU: 2129.72, 0.00288618/step Wall: 2129.72, 0.00288618/step, 3.41884 hours remaining, 208.167969 MB of memory in use. ENERGY: 735600 740.7429 2131.7334 1936.3241 101.8210 -206161.1749 18048.0059 0.0000 0.0000 34197.5292 -149005.0186 298.6555 -183202.5477 -148910.5077 300.6835 166.0441 196.8812 556531.7033 1.5369 1.4986 PRESSURE: 735800 151.424 -3.61466 -54.9069 -3.61532 340.608 -161.038 -54.9063 -161.038 -76.5306 GPRESSURE: 735800 176.063 -17.2348 -48.9548 -57.4999 342.547 -125.531 -73.1702 -94.667 -8.85492 PRESSAVG: 735800 -1.27987 11.6001 -17.0555 11.6 -27.8776 -77.2257 -17.0556 -77.2256 -28.792 GPRESSAVG: 735800 -1.41473 11.3705 -15.3918 13.4513 -29.5517 -74.8258 -18.1954 -79.265 -26.3619 TIMING: 735800 CPU: 2130.29, 0.00287301/step Wall: 2130.29, 0.00287301/step, 3.40308 hours remaining, 208.167969 MB of memory in use. ENERGY: 735800 733.7006 2102.3907 1954.4560 117.3473 -206307.0177 18032.0016 0.0000 0.0000 34412.5349 -148954.5866 300.5332 -183367.1215 -148851.6798 300.5473 138.5004 169.9182 557450.4786 -19.3165 -19.1094 PRESSURE: 736000 46.0194 -82.3531 -58.5351 -82.3536 11.9709 6.65819 -58.5348 6.65718 -313.157 GPRESSURE: 736000 63.4389 -90.6309 17.3614 -9.39749 48.7786 21.116 -140.194 50.2586 -267.555 PRESSAVG: 736000 -16.5959 -36.1826 -11.4836 -36.1827 71.7969 -18.4483 -11.4836 -18.4483 -61.3645 GPRESSAVG: 736000 -17.3224 -35.6818 -10.948 -35.5809 72.1462 -18.3433 -10.7911 -18.3538 -60.9149 TIMING: 736000 CPU: 2130.87, 0.00289505/step Wall: 2130.87, 0.00289505/step, 3.42902 hours remaining, 208.167969 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: 736000 761.4732 2081.0091 1960.5526 121.8701 -205788.4356 17726.6592 0.0000 0.0000 34286.7699 -148850.1016 299.4349 -183136.8715 -148755.5144 299.7968 -85.0555 -51.7790 558513.8045 -2.0545 -2.0303 PRESSURE: 736200 69.2407 -42.9743 16.0257 -42.9725 189.217 -20.8303 16.0234 -20.8298 179.379 GPRESSURE: 736200 128.431 9.26096 87.5623 -64.0774 200.783 -38.0106 -66.7624 -57.9506 199.809 PRESSAVG: 736200 17.1769 -45.9516 -21.2292 -45.9516 -37.9279 -28.369 -21.2292 -28.369 16.2309 GPRESSAVG: 736200 17.3752 -46.1123 -22.4016 -48.2168 -38.1463 -27.0362 -20.4158 -29.5839 16.5232 TIMING: 736200 CPU: 2131.45, 0.002897/step Wall: 2131.45, 0.002897/step, 3.43118 hours remaining, 208.167969 MB of memory in use. ENERGY: 736200 753.6448 2135.6223 1939.1251 128.9120 -206234.1956 17999.5032 0.0000 0.0000 34523.8982 -148753.4899 301.5058 -183277.3882 -148657.7630 300.7013 145.9457 176.3411 556174.1125 -1.5067 -1.4160 LDB: ============= START OF LOAD BALANCING ============== 2134.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2134.84 LDB: =============== DONE WITH MIGRATION ================ 2134.84 LDB: ============= START OF LOAD BALANCING ============== 2135.13 LDB: Largest compute 4820 load 0.027669 is 23.5% of average load 0.117932 LDB: Average compute 0.001718 is 1.5% of average load 0.117932 LDB: TIME 2135.13 LOAD: AVG 0.117932 MAX 0.187654 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.051 MB LDB: TIME 2135.13 LOAD: AVG 0.117932 MAX 0.187654 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.258 MB LDB: TIME 2135.13 LOAD: AVG 0.117932 MAX 0.187654 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.258 MB LDB: ============== END OF LOAD BALANCING =============== 2135.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2135.14 PRESSURE: 736400 120.458 -83.053 63.3202 -83.0537 174.304 -65.9359 63.3205 -65.9343 90.0011 GPRESSURE: 736400 124.36 -44.001 51.1358 -52.1186 210.071 -39.7518 -8.51754 5.51958 158.8 PRESSAVG: 736400 31.3789 -57.3436 -48.3554 -57.3435 -53.0196 -26.8892 -48.3555 -26.8893 35.0404 GPRESSAVG: 736400 30.5375 -57.9671 -44.6783 -55.6982 -52.1839 -27.8921 -51.7411 -25.9218 35.2414 TIMING: 736400 CPU: 2132.04, 0.00295154/step Wall: 2132.04, 0.00295154/step, 3.49561 hours remaining, 206.820312 MB of memory in use. ENERGY: 736400 779.8445 2081.1192 1961.8221 120.1663 -206273.9729 18045.2024 0.0000 0.0000 34445.9393 -148839.8792 300.8250 -183285.8185 -148739.2238 300.8100 128.2544 164.4105 556805.3063 4.4666 4.5317 PRESSURE: 736600 -75.9534 -2.97617 -13.3457 -2.97649 -244.692 4.54122 -13.3446 4.54151 86.5728 GPRESSURE: 736600 -5.74605 -8.60116 22.2718 -9.70272 -195.888 1.52042 70.7396 41.7066 55.6396 PRESSAVG: 736600 86.2784 -30.8131 -7.19012 -30.8129 -100.86 9.57187 -7.19013 9.57195 9.44936 GPRESSAVG: 736600 87.5407 -30.9991 -9.67542 -32.0988 -101.527 8.4322 -4.75302 9.71566 8.89681 TIMING: 736600 CPU: 2132.62, 0.00290288/step Wall: 2132.62, 0.00290289/step, 3.43782 hours remaining, 206.820312 MB of memory in use. ENERGY: 736600 722.5156 2131.5128 1943.1301 112.9799 -206037.5825 17701.3172 0.0000 0.0000 34449.4695 -148976.6573 300.8558 -183426.1268 -148879.8507 300.6567 -78.0243 -48.6647 558250.3920 -1.7107 -1.6963 PRESSURE: 736800 -150.862 -32.7978 -144.292 -32.797 -188.149 2.3064 -144.292 2.30616 -58.5088 GPRESSURE: 736800 -126.799 -107.319 -188.071 -24.7195 -150.363 64.6159 -145.141 -113.172 -37.7268 PRESSAVG: 736800 30.3221 57.0337 -30.1099 57.0336 -9.32844 14.153 -30.1099 14.1529 1.80097 GPRESSAVG: 736800 28.6731 57.2858 -32.6234 57.6134 -7.88796 14.1272 -29.0141 13.8704 2.17825 TIMING: 736800 CPU: 2133.21, 0.00291667/step Wall: 2133.21, 0.00291667/step, 3.45399 hours remaining, 206.820312 MB of memory in use. ENERGY: 736800 743.2364 2082.2767 1955.5015 108.0040 -205480.4392 17554.3280 0.0000 0.0000 34081.4315 -148955.6610 297.6416 -183037.0925 -148860.0727 300.0705 -132.5064 -104.9628 558480.9399 7.5982 7.6545 PRESSURE: 737000 -166.383 21.1367 -93.4836 21.137 253.595 66.765 -93.485 66.7644 -20.1145 GPRESSURE: 737000 -155.444 54.4215 -94.4516 -117.927 292.265 52.0905 -108.304 39.0863 19.9022 PRESSAVG: 737000 83.5047 -7.55289 5.43667 -7.55285 4.05523 41.9058 5.4367 41.9059 -74.7392 GPRESSAVG: 737000 83.7107 -6.87151 7.73956 -8.16795 3.12501 42.7945 2.25002 41.7693 -74.1494 TIMING: 737000 CPU: 2133.79, 0.00293142/step Wall: 2133.79, 0.00293142/step, 3.47129 hours remaining, 206.820312 MB of memory in use. ENERGY: 737000 733.2355 2118.1068 1955.6770 117.6779 -205985.8667 17788.5282 0.0000 0.0000 34303.5096 -148969.1317 299.5811 -183272.6413 -148867.1631 299.6377 22.3659 52.2410 559090.2075 4.2736 4.2288 PRESSURE: 737200 111.771 -48.153 -51.0196 -48.1517 -177.731 23.0179 -51.0189 23.0189 -288.316 GPRESSURE: 737200 91.3111 -20.7627 -54.8216 -65.3769 -163.586 101.602 -81.4222 39.2645 -180.497 PRESSAVG: 737200 45.7883 -39.8082 -45.402 -39.8081 -61.3464 -0.353905 -45.4021 -0.353902 -8.76529 GPRESSAVG: 737200 45.0086 -39.8732 -45.4679 -39.5232 -60.113 -1.44272 -43.2071 -0.0218957 -8.88815 TIMING: 737200 CPU: 2134.38, 0.00291517/step Wall: 2134.38, 0.00291516/step, 3.45188 hours remaining, 206.820312 MB of memory in use. ENERGY: 737200 798.7975 2049.0437 1948.8726 109.8947 -206099.0470 17734.8402 0.0000 0.0000 34397.8625 -149059.7359 300.4051 -183457.5983 -148967.7046 300.2509 -118.0919 -84.2572 558023.5978 -8.1078 -7.9975 PRESSURE: 737400 -37.5749 -68.3005 -43.5668 -68.3013 39.9935 -188.724 -43.5663 -188.723 65.9099 GPRESSURE: 737400 -20.639 43.5173 -104.632 -124.951 52.6422 -231.448 4.50098 -176.814 117.336 PRESSAVG: 737400 42.4742 -11.783 -16.1854 -11.7829 -29.7309 -28.8877 -16.1854 -28.8877 2.56315 GPRESSAVG: 737400 44.4495 -13.4326 -17.0101 -10.873 -30.3498 -30.0221 -15.2925 -27.298 1.28659 TIMING: 737400 CPU: 2134.95, 0.00287174/step Wall: 2134.95, 0.00287174/step, 3.4003 hours remaining, 206.820312 MB of memory in use. ENERGY: 737400 756.8996 2108.9176 1973.3349 119.1386 -206237.3356 17888.2841 0.0000 0.0000 34176.6550 -149214.1057 298.4732 -183390.7608 -149115.7124 299.4386 22.7762 49.7798 558568.5887 5.1022 5.1288 PRESSURE: 737600 -102.062 -93.1265 149.771 -93.1266 -8.91158 161.32 149.771 161.318 183.133 GPRESSURE: 737600 -45.4052 29.3903 74.6097 -219.676 -26.6925 142.638 197.428 116.645 242.212 PRESSAVG: 737600 39.558 -6.69484 29.1655 -6.69478 -18.5647 4.27298 29.1654 4.2729 1.951 GPRESSAVG: 737600 39.9808 -6.76227 27.3686 -7.25865 -19.8024 5.30569 30.4227 4.41246 2.35203 TIMING: 737600 CPU: 2135.53, 0.00290541/step Wall: 2135.53, 0.00290541/step, 3.44001 hours remaining, 206.820312 MB of memory in use. ENERGY: 737600 760.0629 2107.4986 1973.4045 108.0224 -206521.8341 18026.7071 0.0000 0.0000 34411.6730 -149134.4658 300.5257 -183546.1388 -149032.8338 299.1891 24.0531 56.7048 557360.9338 7.6481 7.5102 PRESSURE: 737800 -22.3489 2.20085 -29.2745 2.20272 20.8108 -44.5434 -29.2728 -44.5443 23.489 GPRESSURE: 737800 16.3134 51.0976 -84.2495 20.0847 66.6995 -103.053 67.8648 -26.425 39.2027 PRESSAVG: 737800 -70.1482 24.8403 26.5926 24.8402 -13.9893 37.675 26.5926 37.675 83.8485 GPRESSAVG: 737800 -70.6406 25.3831 27.8759 26.8595 -14.1352 36.3252 24.675 37.1271 84.7411 TIMING: 737800 CPU: 2136.12, 0.00291989/step Wall: 2136.12, 0.00291989/step, 3.45699 hours remaining, 206.820312 MB of memory in use. ENERGY: 737800 699.8492 2117.8242 1957.2509 110.3289 -206086.6078 17706.9796 0.0000 0.0000 34330.9689 -149163.4061 299.8209 -183494.3751 -149061.3775 299.7211 7.3170 40.7385 557523.6540 -0.0963 -0.0116 PRESSURE: 738000 -252.525 48.2324 -143.674 48.2326 -234.526 85.9926 -143.674 85.9932 -101.211 GPRESSURE: 738000 -300.016 55.4371 -41.9521 101.983 -136.366 35.913 -183.647 142.251 -63.1296 PRESSAVG: 738000 5.8925 1.22606 26.3858 1.22608 -24.1039 38.6425 26.3857 38.6426 3.92546 GPRESSAVG: 738000 4.13981 0.238147 27.5056 0.875587 -22.8528 38.0317 26.9788 36.6945 3.89091 TIMING: 738000 CPU: 2136.7, 0.00290671/step Wall: 2136.7, 0.00290671/step, 3.44122 hours remaining, 206.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 738000 710.3248 2038.2659 1955.3288 107.2485 -205698.2503 17500.6749 0.0000 0.0000 34278.2061 -149108.2013 299.3601 -183386.4073 -149012.8205 300.0881 -196.0875 -166.5039 558576.6968 -4.7620 -4.9407 PRESSURE: 738200 147.07 -1.82812 -74.0978 -1.82738 -176.059 -133.214 -74.0983 -133.213 -383.933 GPRESSURE: 738200 105.227 -45.6856 -20.5211 59.5972 -109.898 -149.176 -49.6448 -38.2319 -325.175 PRESSAVG: 738200 -1.15014 -36.0074 -9.69615 -36.0074 -36.6775 -50.3511 -9.69617 -50.3511 14.8085 GPRESSAVG: 738200 -0.774026 -36.031 -10.9422 -35.7551 -36.5947 -49.9831 -10.3943 -48.6846 14.0475 TIMING: 738200 CPU: 2137.28, 0.00290079/step Wall: 2137.28, 0.00290079/step, 3.43405 hours remaining, 206.820312 MB of memory in use. ENERGY: 738200 699.1371 2160.0789 1962.7132 115.5332 -205732.2616 17394.6685 0.0000 0.0000 34478.2052 -148921.9255 301.1067 -183400.1307 -148818.8524 300.2879 -137.6405 -109.9486 558656.2787 -7.6731 -7.7737 PRESSURE: 738400 -140.076 -46.8088 -20.1596 -46.8068 170.886 -5.55577 -20.1593 -5.55577 79.4505 GPRESSURE: 738400 -40.0578 17.2548 66.923 6.07914 136.069 -69.5351 -46.5494 38.2561 109.132 PRESSAVG: 738400 11.6681 -18.2565 -45.8794 -18.2565 -5.43872 -38.4207 -45.8795 -38.4207 10.3909 GPRESSAVG: 738400 11.5196 -15.392 -44.5068 -22.457 -6.56756 -39.4454 -44.7025 -39.9024 11.5269 TIMING: 738400 CPU: 2137.86, 0.0029377/step Wall: 2137.86, 0.0029377/step, 3.47759 hours remaining, 206.820312 MB of memory in use. ENERGY: 738400 757.5173 2138.7125 1994.6519 130.9929 -206172.0899 17890.2326 0.0000 0.0000 34298.7130 -148961.2698 299.5392 -183259.9827 -148858.1296 299.5676 36.7536 68.3812 558344.5418 5.5401 5.4930 PRESSURE: 738600 -99.6168 55.7211 57.9215 55.7212 206.615 -37.2936 57.9205 -37.2928 -74.0233 GPRESSURE: 738600 -39.0215 51.8029 41.1397 113.619 211.436 54.8935 48.2775 -44.5999 -42.6279 PRESSAVG: 738600 -59.0784 -18.4144 27.7454 -18.4144 33.236 31.6187 27.7453 31.6188 5.66822 GPRESSAVG: 738600 -58.5699 -20.3806 26.592 -15.8455 33.7742 31.6482 25.0869 32.9948 4.62335 TIMING: 738600 CPU: 2138.44, 0.00289987/step Wall: 2138.44, 0.00289987/step, 3.43264 hours remaining, 206.820312 MB of memory in use. ENERGY: 738600 750.4153 2131.2280 1944.0778 125.5786 -205964.7760 17767.7834 0.0000 0.0000 34341.6951 -148903.9977 299.9146 -183245.6928 -148801.7165 299.5903 10.9918 43.2623 557810.7266 -6.7247 -6.7241 PRESSURE: 738800 121.864 -30.0836 -163.513 -30.0832 131.179 -70.8198 -163.513 -70.8205 58.982 GPRESSURE: 738800 102.337 -28.7728 -220.592 -12.0993 183.167 -82.8843 -153.724 -20.6323 131.415 PRESSAVG: 738800 -15.5418 -2.22294 -74.6864 -2.22289 32.3693 -1.30724 -74.6864 -1.30743 12.5675 GPRESSAVG: 738800 -16.3118 -3.65233 -74.7878 -1.13717 32.2251 -1.9726 -73.6462 -0.696412 13.5055 TIMING: 738800 CPU: 2139.03, 0.00291268/step Wall: 2139.03, 0.00291268/step, 3.44764 hours remaining, 206.820312 MB of memory in use. ENERGY: 738800 743.2774 2082.1770 1976.6814 113.3552 -206189.0434 17939.9060 0.0000 0.0000 34642.9994 -148690.6471 302.5459 -183333.6465 -148595.9231 300.7026 104.0084 138.9732 557530.3807 9.7983 9.8063 PRESSURE: 739000 85.7222 -64.5075 19.9177 -64.5064 -211.913 38.3272 19.9184 38.3271 9.46061 GPRESSURE: 739000 40.7972 -115.193 73.6116 -59.3597 -149.12 16.6404 19.1341 58.6926 89.3113 PRESSAVG: 739000 24.3952 24.264 -17.3498 24.264 -19.3555 10.1102 -17.3499 10.11 50.0181 GPRESSAVG: 739000 25.8684 25.8079 -14.4334 21.0374 -20.19 13.2798 -17.6931 9.22038 49.2558 TIMING: 739000 CPU: 2139.6, 0.00288693/step Wall: 2139.6, 0.00288693/step, 3.417 hours remaining, 206.820312 MB of memory in use. ENERGY: 739000 733.0618 2110.7582 1979.5709 121.1568 -205559.3885 17595.2648 0.0000 0.0000 34291.6273 -148727.9487 299.4773 -183019.5760 -148624.1756 300.5909 -38.9100 -6.3373 558134.2284 18.3526 18.3114 PRESSURE: 739200 -66.371 192.255 229.693 192.254 -136.354 -14.7172 229.695 -14.7165 -212.412 GPRESSURE: 739200 -48.2964 178.492 142.535 126.142 -42.0956 -55.5832 210.448 16.557 -243.535 PRESSAVG: 739200 -3.41889 15.4431 -44.6499 15.4431 40.4655 0.251154 -44.65 0.251103 -39.5951 GPRESSAVG: 739200 -4.30918 16.1829 -47.0397 15.6753 40.1026 -1.21426 -44.5799 0.346061 -38.3053 TIMING: 739200 CPU: 2140.18, 0.00289013/step Wall: 2140.18, 0.00289013/step, 3.42063 hours remaining, 206.820312 MB of memory in use. ENERGY: 739200 789.0266 2084.8963 1983.6378 112.2400 -205562.2898 17604.9280 0.0000 0.0000 34248.4667 -148739.0944 299.1004 -182987.5612 -148636.2551 300.6799 -138.3789 -111.3089 558766.2058 -0.8495 -0.8373 PRESSURE: 739400 105.805 -210.251 33.2603 -210.249 -70.668 -42.6411 33.2611 -42.6401 166.894 GPRESSURE: 739400 169.883 -299.265 96.0284 -130.049 -81.1422 -32.7251 82.6195 76.3718 218.734 PRESSAVG: 739400 51.6772 -58.4866 -16.0777 -58.4866 -3.17458 27.8992 -16.0777 27.8992 -76.1924 GPRESSAVG: 739400 51.1915 -57.9247 -16.7689 -56.0926 -2.62017 27.7252 -13.8644 28.2377 -76.2182 TIMING: 739400 CPU: 2140.76, 0.0028929/step Wall: 2140.76, 0.0028929/step, 3.42375 hours remaining, 206.820312 MB of memory in use. ENERGY: 739400 783.8569 2111.5118 1964.3594 107.5454 -206059.5540 17825.8049 0.0000 0.0000 34609.9432 -148656.5325 302.2572 -183266.4757 -148563.7592 300.5410 67.3434 102.4917 556072.9465 -9.2299 -9.2156 PRESSURE: 739600 -354.464 -46.4756 -126.946 -46.476 53.568 97.7235 -126.947 97.7238 -160.349 GPRESSURE: 739600 -301.625 -13.2752 -135.366 -77.6409 83.6403 117.768 -79.75 137.89 -157.273 PRESSAVG: 739600 -42.8482 -4.40857 -49.0266 -4.40863 54.3141 -21.8366 -49.0266 -21.8365 23.6742 GPRESSAVG: 739600 -42.4686 -5.81097 -49.4979 -4.17412 53.8118 -20.212 -49.658 -22.626 23.5936 TIMING: 739600 CPU: 2141.34, 0.00287752/step Wall: 2141.34, 0.00287752/step, 3.40538 hours remaining, 206.820312 MB of memory in use. ENERGY: 739600 787.4657 2089.1138 1930.5853 104.1204 -205415.8984 17391.0742 0.0000 0.0000 34438.4400 -148675.0990 300.7595 -183113.5390 -148574.7675 300.7435 -153.7482 -125.0858 557299.3778 11.7134 11.6456 PRESSURE: 739800 -357.322 77.5974 151.875 77.5976 -203.574 112.835 151.874 112.834 -75.9059 GPRESSURE: 739800 -301.973 78.5501 149.887 17.9353 -139.73 167.628 170.629 141.111 -86.492 PRESSAVG: 739800 -14.9977 16.5985 17.8776 16.5986 3.12333 14.1726 17.8776 14.1726 18.4387 GPRESSAVG: 739800 -15.4206 16.1695 18.6065 12.6526 3.53566 13.2983 18.521 14.3572 18.5645 TIMING: 739800 CPU: 2141.91, 0.00289039/step Wall: 2141.91, 0.00289039/step, 3.42045 hours remaining, 206.820312 MB of memory in use. ENERGY: 739800 778.5720 2138.9074 1896.9109 113.2785 -205507.7571 17398.6340 0.0000 0.0000 34464.5177 -148716.9366 300.9872 -183181.4543 -148619.1819 300.3278 -212.2674 -176.0652 559359.0518 2.1881 2.2265 PRESSURE: 740000 -150.279 36.5377 90.6683 36.5389 -203.344 70.5271 90.6682 70.527 -168.121 GPRESSURE: 740000 -104.88 38.6891 140.015 1.13844 -181.96 75.7567 -30.4399 69.2602 -134.881 PRESSAVG: 740000 42.1088 -65.8066 50.8383 -65.8065 -26.9933 4.27276 50.8383 4.2727 -26.1834 GPRESSAVG: 740000 43.2918 -65.5264 53.3533 -62.6477 -28.231 4.58949 48.9988 3.65043 -26.367 TIMING: 740000 CPU: 2142.5, 0.00290463/step Wall: 2142.5, 0.00290463/step, 3.43714 hours remaining, 206.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 740000 743.7493 2077.0856 1952.1928 115.8082 -205547.9506 17675.7999 0.0000 0.0000 34292.2733 -148691.0415 299.4830 -182983.3149 -148594.6126 299.8919 -173.9147 -140.5735 559433.1968 -3.6893 -3.7688 PRESSURE: 740200 -152.655 -187.079 -127.468 -187.081 3.18316 32.5507 -127.468 32.551 -370.397 GPRESSURE: 740200 -134.76 -145.898 -130.324 -95.4395 45.4244 94.1199 -90.0426 -32.3811 -323.278 PRESSAVG: 740200 -21.8519 -18.6734 -44.159 -18.6734 -5.90642 5.69611 -44.1591 5.69615 20.1134 GPRESSAVG: 740200 -23.0223 -19.3294 -46.2887 -19.5316 -5.42227 4.87302 -43.2273 5.88242 20.9795 TIMING: 740200 CPU: 2143.08, 0.00292263/step Wall: 2143.08, 0.00292263/step, 3.45828 hours remaining, 206.820312 MB of memory in use. ENERGY: 740200 776.2456 2144.7473 1952.2530 113.8778 -205736.4974 17623.8891 0.0000 0.0000 34490.6445 -148634.8401 301.2154 -183125.4846 -148539.1389 299.9244 -173.2896 -137.5378 559946.3092 -2.5483 -2.4884 LDB: ============= START OF LOAD BALANCING ============== 2146.47 LDB: ============== END OF LOAD BALANCING =============== 2146.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2146.47 LDB: ============= START OF LOAD BALANCING ============== 2146.76 LDB: Largest compute 4820 load 0.028326 is 24.0% of average load 0.117870 LDB: Average compute 0.001717 is 1.5% of average load 0.117870 LDB: TIME 2146.76 LOAD: AVG 0.11787 MAX 0.182712 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.652 MB LDB: TIME 2146.76 LOAD: AVG 0.11787 MAX 0.182712 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.652 MB LDB: TIME 2146.76 LOAD: AVG 0.11787 MAX 0.182712 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2146.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2146.77 PRESSURE: 740400 -47.3732 -20.41 -45.6631 -20.4104 -197.831 -2.50089 -45.6647 -2.50303 -13.7485 GPRESSURE: 740400 -48.8881 -56.55 -156.806 -158.688 -176.988 98.2866 0.119203 -0.431422 60.7256 PRESSAVG: 740400 30.8727 -48.6177 53.3848 -48.6178 -30.5669 26.0367 53.3847 26.0368 14.5852 GPRESSAVG: 740400 31.5044 -46.4792 53.6628 -48.2621 -29.5137 26.8023 53.5692 26.7667 13.0197 TIMING: 740400 CPU: 2143.67, 0.00296707/step Wall: 2143.67, 0.00296707/step, 3.51071 hours remaining, 206.250000 MB of memory in use. ENERGY: 740400 775.1012 2146.3480 1928.2670 117.7666 -205540.8188 17593.2180 0.0000 0.0000 34321.5892 -148658.5289 299.7390 -182980.1181 -148567.8062 300.2419 -86.3174 -55.0503 559076.9494 4.9637 5.0035 PRESSURE: 740600 92.4536 126.792 -216.654 126.791 139.28 -15.3284 -216.653 -15.3285 66.2037 GPRESSURE: 740600 150.354 146.619 -126.287 67.9585 140.932 11.9159 -235.282 26.7923 90.7695 PRESSAVG: 740600 5.88751 -28.7975 -32.3011 -28.7975 -14.8734 -20.3873 -32.3011 -20.3873 22.7033 GPRESSAVG: 740600 6.47411 -27.7371 -31.0489 -28.5727 -16.4234 -21.5034 -31.9263 -19.2915 22.9121 TIMING: 740600 CPU: 2144.25, 0.00290108/step Wall: 2144.25, 0.00290108/step, 3.43247 hours remaining, 206.250000 MB of memory in use. ENERGY: 740600 764.8098 2136.4013 1927.4673 107.0324 -206022.7910 17907.7189 0.0000 0.0000 34466.2235 -148713.1378 301.0021 -183179.3613 -148615.7458 299.8990 99.3124 127.3519 559349.5553 4.5725 4.3209 PRESSURE: 740800 -44.0428 238.091 8.92636 238.091 248.659 -11.082 8.9285 -11.081 74.5959 GPRESSURE: 740800 -50.2867 214.173 43.679 250.22 299.995 -40.0822 -42.4885 74.9353 130.438 PRESSAVG: 740800 -45.0195 17.9433 0.293419 17.9432 4.02579 -12.9228 0.29345 -12.9228 22.2973 GPRESSAVG: 740800 -45.3128 13.2301 -2.44493 18.2865 4.21493 -13.6715 0.308817 -15.5341 23.1797 TIMING: 740800 CPU: 2144.84, 0.00294411/step Wall: 2144.84, 0.00294411/step, 3.4832 hours remaining, 206.250000 MB of memory in use. ENERGY: 740800 736.9755 2096.9869 1942.8364 118.2522 -206293.8027 18024.0443 0.0000 0.0000 34560.4196 -148814.2878 301.8247 -183374.7074 -148714.8999 300.6615 93.0708 126.7157 557596.9116 -6.2321 -5.9727 PRESSURE: 741000 45.9413 11.8756 -20.0697 11.877 66.9533 34.3825 -20.0694 34.3827 176.763 GPRESSURE: 741000 148.049 40.4568 53.9268 -27.1638 84.5624 25.1297 -11.9457 -24.4405 165.035 PRESSAVG: 741000 53.4613 17.7674 -13.5196 17.7674 -19.1698 22.4594 -13.5196 22.4595 -46.9651 GPRESSAVG: 741000 53.0621 19.9414 -11.9022 16.6854 -19.2158 24.4381 -13.9146 22.8276 -46.4632 TIMING: 741000 CPU: 2145.43, 0.0029257/step Wall: 2145.43, 0.0029257/step, 3.46127 hours remaining, 206.250000 MB of memory in use. ENERGY: 741000 732.4480 2151.8861 1932.4530 120.3575 -206406.5784 18148.6769 0.0000 0.0000 34314.7321 -149006.0248 299.6791 -183320.7569 -148908.7864 300.2022 96.5527 132.5486 558465.9731 -4.2246 -4.2056 PRESSURE: 741200 0.531422 12.6073 -13.4198 12.6076 -76.8006 -14.1051 -13.4206 -14.1041 -177.264 GPRESSURE: 741200 28.915 -2.20656 -10.0593 93.0731 -90.6798 -46.1531 -97.3637 18.7428 -100.185 PRESSAVG: 741200 52.0502 7.75251 -7.5388 7.75242 -52.2493 -6.67363 -7.53882 -6.67365 21.2354 GPRESSAVG: 741200 52.3709 7.17118 -7.19376 9.81234 -52.6987 -8.12053 -8.50872 -3.89119 21.0054 TIMING: 741200 CPU: 2146, 0.00288445/step Wall: 2146, 0.00288445/step, 3.4123 hours remaining, 206.250000 MB of memory in use. ENERGY: 741200 761.5232 2164.5458 1929.0980 107.7403 -206285.4138 17616.3725 0.0000 0.0000 34449.3756 -149256.7584 300.8550 -183706.1341 -149164.7747 299.3460 -84.5110 -53.9834 557548.9113 7.0121 6.8925 PRESSURE: 741400 154.413 -140.919 -67.6881 -140.918 -12.2997 68.679 -67.6869 68.678 186.372 GPRESSURE: 741400 169.059 -98.1608 -22.7535 -120.97 60.9213 74.9112 -116.586 105.36 184.041 PRESSAVG: 741400 73.6145 -11.7416 -20.71 -11.7415 -42.4729 -28.862 -20.71 -28.862 -52.5812 GPRESSAVG: 741400 74.305 -12.418 -18.4718 -11.89 -41.5844 -26.531 -21.3313 -31.8231 -54.2091 TIMING: 741400 CPU: 2146.59, 0.00293135/step Wall: 2146.59, 0.00293135/step, 3.46763 hours remaining, 206.250000 MB of memory in use. ENERGY: 741400 743.1466 2140.9160 1943.4808 103.3957 -206656.6322 18081.2925 0.0000 0.0000 34397.7412 -149246.6595 300.4040 -183644.4007 -149162.8956 299.5535 109.4953 138.0071 558929.1296 -7.1465 -7.1628 PRESSURE: 741600 -152.084 -67.9941 71.6705 -67.9939 -167.761 80.2037 71.6724 80.2044 -350.928 GPRESSURE: 741600 -103.233 -130.178 173.797 -171.31 -145.507 29.9055 90.5006 111.022 -315.962 PRESSAVG: 741600 -14.9278 -38.5435 7.99074 -38.5435 -12.7831 -19.8689 7.99075 -19.869 31.3691 GPRESSAVG: 741600 -14.9394 -38.6843 5.42461 -39.8746 -12.5372 -20.0305 9.56552 -20.0437 31.5621 TIMING: 741600 CPU: 2147.17, 0.00291894/step Wall: 2147.17, 0.00291894/step, 3.45278 hours remaining, 206.250000 MB of memory in use. ENERGY: 741600 728.2394 2100.6151 1946.3373 110.8856 -206077.5456 17679.2310 0.0000 0.0000 34254.7386 -149257.4985 299.1552 -183512.2372 -149149.0238 299.2246 -223.5911 -188.2342 559411.3283 1.2194 1.3618 PRESSURE: 741800 -66.1707 -123.079 19.2945 -123.08 98.7092 0.892615 19.2949 0.892563 -61.8464 GPRESSURE: 741800 -41.381 -89.5703 13.0299 -73.1633 107.923 -20.6569 -61.2008 32.2184 0.973634 PRESSAVG: 741800 50.4687 -51.7615 -8.1397 -51.7615 -29.3132 14.6291 -8.13969 14.629 -11.8293 GPRESSAVG: 741800 50.7835 -50.2494 -7.7448 -51.1141 -29.4305 12.776 -7.35943 16.2973 -11.8766 TIMING: 741800 CPU: 2147.76, 0.00294566/step Wall: 2147.76, 0.00294566/step, 3.48423 hours remaining, 206.250000 MB of memory in use. ENERGY: 741800 739.8054 2102.2056 1949.1367 114.4167 -206026.8782 17506.2760 0.0000 0.0000 34361.3928 -149253.6449 300.0866 -183615.0377 -149155.4972 299.4334 -9.7693 22.5054 557094.1631 3.1087 3.1588 PRESSURE: 742000 132.082 -61.8511 -62.1008 -61.8513 101.919 98.668 -62.0993 98.6674 -263.541 GPRESSURE: 742000 101.559 -72.8273 -190.969 -66.541 155.635 115.508 -1.09939 -3.74439 -200.789 PRESSAVG: 742000 0.910055 -3.48554 -6.94177 -3.48553 24.3992 33.6004 -6.94179 33.6005 0.650754 GPRESSAVG: 742000 -0.321603 -7.47524 -6.90177 -0.923233 24.7899 34.6123 -6.16729 34.4207 1.64895 TIMING: 742000 CPU: 2148.35, 0.00291392/step Wall: 2148.35, 0.00291392/step, 3.44652 hours remaining, 206.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 742000 735.5553 2109.4305 1956.2005 101.3712 -206159.4650 17835.1426 0.0000 0.0000 34266.6530 -149155.1119 299.2592 -183421.7648 -149058.1720 299.0512 -9.8466 18.8016 558006.0864 8.6533 8.7057 PRESSURE: 742200 -294.876 47.7048 28.8357 47.7045 -186.815 -103.035 28.8358 -103.037 -165.197 GPRESSURE: 742200 -267.366 16.9804 -16.8812 65.5925 -174.553 -40.0369 11.174 -134.151 -113.144 PRESSAVG: 742200 6.76951 5.25942 34.1846 5.25935 25.1441 -32.2642 34.1846 -32.2641 -22.8303 GPRESSAVG: 742200 7.95037 7.85529 33.7589 4.06549 23.8594 -32.5325 31.7523 -32.8711 -23.1879 TIMING: 742200 CPU: 2148.93, 0.00291859/step Wall: 2148.93, 0.00291859/step, 3.45189 hours remaining, 206.250000 MB of memory in use. ENERGY: 742200 706.3415 2097.8713 1946.6177 117.8979 -205789.2727 17415.5044 0.0000 0.0000 34245.9562 -149259.0837 299.0785 -183505.0399 -149159.6017 299.4333 -215.6290 -185.0208 558687.1267 3.0278 2.8739 PRESSURE: 742400 -193.601 8.46879 70.2413 8.46944 -239.269 177.82 70.2411 177.819 257.236 GPRESSURE: 742400 -160.565 18.0093 135.702 41.7338 -178.68 138.569 34.6164 182.152 266.204 PRESSAVG: 742400 -14.2017 -8.25262 16.8547 -8.25265 9.16111 -4.84862 16.8546 -4.8485 -2.78307 GPRESSAVG: 742400 -15.3376 -7.70792 16.0245 -10.3829 9.44087 -4.44971 17.6705 -4.32003 -2.0517 TIMING: 742400 CPU: 2149.52, 0.00293851/step Wall: 2149.52, 0.00293851/step, 3.47527 hours remaining, 206.250000 MB of memory in use. ENERGY: 742400 787.7848 2136.1317 1969.4585 108.8123 -206416.1390 17780.2283 0.0000 0.0000 34327.4398 -149306.2836 299.7901 -183633.7235 -149206.2241 299.1713 -58.5444 -24.3472 557080.2319 -2.6079 -2.6495 PRESSURE: 742600 -191.217 -170.408 55.5282 -170.406 -105.99 -49.1592 55.5272 -49.1592 39.4731 GPRESSURE: 742600 -141.453 -148.409 29.5447 -184.264 -129.088 29.7323 8.51307 -102.79 108.222 PRESSAVG: 742600 -13.3954 -4.15594 -24.6933 -4.15586 1.32089 -0.782848 -24.6934 -0.782792 26.1007 GPRESSAVG: 742600 -11.5565 -6.47024 -23.5326 -2.18415 0.335902 0.162721 -23.8623 -3.34652 25.6756 TIMING: 742600 CPU: 2150.11, 0.00296027/step Wall: 2150.11, 0.00296027/step, 3.50084 hours remaining, 206.250000 MB of memory in use. ENERGY: 742600 776.1616 2095.3078 1936.5140 102.2314 -206288.4243 17844.7121 0.0000 0.0000 34230.3929 -149303.1046 298.9425 -183533.4974 -149201.9197 298.9598 -85.9113 -54.1062 558563.4447 4.6754 4.8183 PRESSURE: 742800 -183.155 13.3072 32.2361 13.308 -196.515 -28.0926 32.2361 -28.0943 -157.558 GPRESSURE: 742800 -138.449 -90.1603 83.526 127.727 -143.167 -2.99016 5.13711 -47.3572 -159.157 PRESSAVG: 742800 -54.893 -17.2053 52.6701 -17.2053 -7.56785 -25.4792 52.6701 -25.4793 33.6606 GPRESSAVG: 742800 -55.6531 -17.0053 53.0622 -19.5535 -6.09219 -26.4808 50.301 -23.5015 32.8241 TIMING: 742800 CPU: 2150.7, 0.00293444/step Wall: 2150.7, 0.00293444/step, 3.47013 hours remaining, 206.250000 MB of memory in use. ENERGY: 742800 714.1054 2147.0793 1971.1105 103.4007 -205919.7726 17527.7858 0.0000 0.0000 34208.8629 -149247.4280 298.7545 -183456.2909 -149151.4481 299.0639 -179.0762 -146.9242 559958.5635 -9.6001 -9.6404 PRESSURE: 743000 74.0526 -62.3298 56.7367 -62.3305 187.25 11.3432 56.7373 11.3423 42.3187 GPRESSURE: 743000 102.713 -23.8159 8.33232 -48.1421 165.033 -7.24033 81.484 -63.3236 122.116 PRESSAVG: 743000 -11.2369 21.2166 45.8935 21.2166 10.7325 13.5405 45.8935 13.5405 28.8148 GPRESSAVG: 743000 -12.0387 23.4067 45.92 20.6148 10.2637 14.6109 46.3236 12.7024 30.0289 TIMING: 743000 CPU: 2151.28, 0.00293407/step Wall: 2151.28, 0.00293407/step, 3.46954 hours remaining, 206.250000 MB of memory in use. ENERGY: 743000 736.9370 2097.8816 1941.4925 113.1151 -206187.2778 17885.7709 0.0000 0.0000 34192.4494 -149219.6313 298.6112 -183412.0807 -149125.2635 299.8463 101.2072 129.9541 557858.6049 9.4368 9.4180 PRESSURE: 743200 -331.689 -149.94 46.2803 -149.94 -38.7728 105.23 46.2788 105.229 -233.182 GPRESSURE: 743200 -325.227 -189.962 41.9985 -58.7996 0.0687175 172.086 150.227 39.6047 -173.678 PRESSAVG: 743200 -30.1132 -12.2303 18.0814 -12.2304 44.6899 -17.5173 18.0814 -17.5173 -9.20032 GPRESSAVG: 743200 -29.1584 -13.6621 18.896 -10.5579 43.8822 -18.5441 17.4063 -15.6086 -9.50398 TIMING: 743200 CPU: 2151.87, 0.00292316/step Wall: 2151.87, 0.00292316/step, 3.45648 hours remaining, 206.250000 MB of memory in use. ENERGY: 743200 765.1652 2107.3225 1966.2020 112.3764 -206006.1000 17511.7085 0.0000 0.0000 34341.7695 -149201.5558 299.9152 -183543.3253 -149108.8605 299.7271 -201.2144 -166.2786 558542.0723 1.7921 1.7400 PRESSURE: 743400 -37.0849 -63.3347 9.17399 -63.3355 -112.045 -1.35379 9.17336 -1.3537 -37.161 GPRESSURE: 743400 16.5036 -80.3205 -36.3912 1.98909 -116.509 54.4497 41.698 -38.57 12.3382 PRESSAVG: 743400 -14.5985 19.8308 45.8974 19.8307 -9.3943 -47.2263 45.8975 -47.2263 -18.1326 GPRESSAVG: 743400 -15.3787 19.6153 42.6002 20.3131 -8.39778 -46.3369 45.9389 -47.9655 -17.7505 TIMING: 743400 CPU: 2152.45, 0.00291004/step Wall: 2152.45, 0.00291004/step, 3.4408 hours remaining, 206.250000 MB of memory in use. ENERGY: 743400 741.9431 2150.7548 1939.7466 122.9611 -206274.9862 17856.3200 0.0000 0.0000 34325.0186 -149138.2420 299.7689 -183463.2606 -149038.5276 299.3403 -62.0970 -29.2225 558595.5003 -14.0418 -13.8423 PRESSURE: 743600 -74.6279 24.3094 126.403 24.3093 -110.926 -94.8096 126.404 -94.808 84.473 GPRESSURE: 743600 -40.2935 2.42413 156.816 111.63 -110.267 -72.3964 88.8798 -96.8454 139.465 PRESSAVG: 743600 -74.6908 -6.24111 33.426 -6.24114 -11.2456 -63.1609 33.426 -63.1609 109.517 GPRESSAVG: 743600 -73.3646 -4.26932 33.1363 -6.96229 -11.0451 -64.7031 35.314 -62.9801 108.317 TIMING: 743600 CPU: 2153.03, 0.00289636/step Wall: 2153.03, 0.00289636/step, 3.42446 hours remaining, 206.250000 MB of memory in use. ENERGY: 743600 770.8255 2134.3696 1976.7197 114.4588 -206385.2079 17855.0068 0.0000 0.0000 34255.4697 -149278.3579 299.1615 -183533.8275 -149178.6975 299.2457 -33.6938 -3.6982 558935.4147 7.8602 7.9691 PRESSURE: 743800 -191.403 -33.0404 95.4676 -33.0404 81.1742 -104.413 95.4676 -104.415 -92.0934 GPRESSURE: 743800 -195.983 -42.9079 123.951 -15.4672 147.649 -50.4131 45.4472 -105.332 -56.8569 PRESSAVG: 743800 -19.5744 -15.5037 1.35438 -15.5037 -43.9277 -2.0985 1.35437 -2.09852 3.00796 GPRESSAVG: 743800 -19.876 -15.5607 2.40498 -14.8868 -43.7136 -1.72323 -0.346192 -2.69485 3.2341 TIMING: 743800 CPU: 2153.61, 0.00288058/step Wall: 2153.61, 0.00288058/step, 3.40565 hours remaining, 206.250000 MB of memory in use. ENERGY: 743800 771.1114 2114.1286 1953.7095 111.8349 -206339.2988 17880.1568 0.0000 0.0000 34102.5139 -149405.8437 297.8257 -183508.3576 -149307.4976 298.6607 -67.4408 -35.0638 558827.1311 -20.1647 -20.1185 PRESSURE: 744000 44.96 12.4619 -22.1453 12.4627 96.7956 98.2121 -22.1444 98.2132 -167.485 GPRESSURE: 744000 59.007 68.0987 -43.5428 -23.0905 179.354 89.8606 -33.3313 58.5553 -172.155 PRESSAVG: 744000 -5.35211 -21.0535 56.1305 -21.0535 63.6219 30.8673 56.1305 30.8673 21.8756 GPRESSAVG: 744000 -6.21272 -21.5044 56.2722 -22.1257 63.7131 30.4488 56.471 29.9605 22.3911 TIMING: 744000 CPU: 2154.18, 0.00288732/step Wall: 2154.18, 0.00288732/step, 3.41345 hours remaining, 206.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 744000 771.1583 2119.2290 1923.9074 114.6627 -206341.3658 17764.4671 0.0000 0.0000 34176.9854 -149470.9559 298.4761 -183647.9413 -149368.0438 298.1340 -8.5764 22.0686 558558.7709 26.7152 26.6305 PRESSURE: 744200 -62.7282 59.8604 -130.751 59.861 -89.364 -19.6325 -130.751 -19.631 -6.3151 GPRESSURE: 744200 -21.1033 59.6927 -97.5149 3.54657 -65.103 -26.839 -151.635 0.586323 27.028 PRESSAVG: 744200 28.3004 -16.6209 24.9932 -16.621 57.4791 -9.97993 24.9932 -9.97988 -78.5524 GPRESSAVG: 744200 29.2588 -18.1319 24.0666 -15.8104 57.6219 -9.08285 27.2092 -9.67746 -79.4463 TIMING: 744200 CPU: 2154.76, 0.00288848/step Wall: 2154.76, 0.00288848/step, 3.41467 hours remaining, 206.250000 MB of memory in use. ENERGY: 744200 773.0196 2129.1780 1964.2470 115.9479 -206468.6648 17878.6985 0.0000 0.0000 34182.3110 -149425.2628 298.5226 -183607.5738 -149328.8514 298.3277 -52.8024 -19.7261 558655.0465 2.4090 2.4781 LDB: ============= START OF LOAD BALANCING ============== 2158.14 LDB: ============== END OF LOAD BALANCING =============== 2158.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2158.14 LDB: ============= START OF LOAD BALANCING ============== 2158.43 LDB: Largest compute 4820 load 0.026326 is 22.3% of average load 0.117908 LDB: Average compute 0.001717 is 1.5% of average load 0.117908 LDB: TIME 2158.44 LOAD: AVG 0.117908 MAX 0.183669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.332 MB LDB: TIME 2158.44 LOAD: AVG 0.117908 MAX 0.183669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.332 MB LDB: TIME 2158.44 LOAD: AVG 0.117908 MAX 0.183669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.332 MB LDB: ============== END OF LOAD BALANCING =============== 2158.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2158.44 PRESSURE: 744400 -90.4424 69.0469 -41.127 69.0482 -62.6253 53.1737 -41.126 53.1741 -213.284 GPRESSURE: 744400 -103.77 16.1882 18.043 10.352 1.85518 74.3843 -35.0565 30.8012 -180.134 PRESSAVG: 744400 -97.8929 -13.2141 -9.55575 -13.214 77.8779 -19.388 -9.55578 -19.3879 50.6112 GPRESSAVG: 744400 -98.9463 -13.2248 -6.96127 -13.0307 78.2408 -19.4741 -11.0601 -20.2482 51.2693 TIMING: 744400 CPU: 2155.35, 0.00292847/step Wall: 2155.35, 0.00292847/step, 3.46178 hours remaining, 207.523438 MB of memory in use. ENERGY: 744400 749.8027 2094.0026 1976.9540 116.9100 -206112.6151 17676.4243 0.0000 0.0000 34029.4130 -149469.1085 297.1873 -183498.5215 -149375.3937 298.5259 -122.1173 -94.0162 556384.2314 10.1987 10.1880 PRESSURE: 744600 -271.38 37.9634 66.6701 37.9637 136.435 53.42 66.6702 53.4216 -103.535 GPRESSURE: 744600 -233.032 -65.3802 136.915 46.1897 175.478 68.5207 68.0817 43.2094 -84.1249 PRESSAVG: 744600 -2.1544 60.2597 -23.0294 60.2598 55.4758 14.0918 -23.0295 14.0918 -38.6186 GPRESSAVG: 744600 -2.07855 60.9307 -25.0342 59.3696 54.8447 15.9756 -23.3102 14.8443 -38.4054 TIMING: 744600 CPU: 2155.93, 0.00289523/step Wall: 2155.93, 0.00289523/step, 3.42232 hours remaining, 207.722656 MB of memory in use. ENERGY: 744600 777.2785 2173.3821 1929.6695 122.1742 -206491.7566 17734.2124 0.0000 0.0000 34208.2867 -149546.7532 298.7495 -183755.0399 -149456.2943 298.1115 -79.4933 -47.2261 556453.3048 4.9009 4.7869 PRESSURE: 744800 71.3463 74.753 -215.506 74.7533 219.392 147.713 -215.507 147.712 -2.56085 GPRESSURE: 744800 54.6821 78.4972 -143.043 42.2309 309.194 150.896 -215.27 146.194 23.5823 PRESSAVG: 744800 -58.2193 -16.3438 -51.7329 -16.3437 34.7358 -9.10798 -51.7329 -9.1079 41.8448 GPRESSAVG: 744800 -57.428 -15.5498 -50.289 -15.7079 34.4543 -11.0791 -51.5402 -9.53997 40.9307 TIMING: 744800 CPU: 2156.5, 0.00288503/step Wall: 2156.5, 0.00288502/step, 3.4101 hours remaining, 207.722656 MB of memory in use. ENERGY: 744800 745.3878 2147.2737 1938.2482 106.1036 -206798.4300 18153.9604 0.0000 0.0000 34074.3878 -149633.0685 297.5801 -183707.4563 -149540.2139 298.6297 96.0592 129.1528 556810.8853 6.1204 5.9857 PRESSURE: 745000 67.1051 -120.738 -17.4685 -120.739 6.08632 -81.2355 -17.4687 -81.2352 -162.449 GPRESSURE: 745000 38.4372 -117.454 107.537 -73.1621 121.243 -69.8438 -61.7962 -113.497 -153.196 PRESSAVG: 745000 -24.1164 30.5087 1.38019 30.5087 45.4114 -21.911 1.3802 -21.9109 -32.6148 GPRESSAVG: 745000 -24.9634 31.6565 2.07745 33.2647 45.9898 -22.6281 -0.725797 -21.3629 -32.1584 TIMING: 745000 CPU: 2157.08, 0.00289189/step Wall: 2157.08, 0.00289189/step, 3.41806 hours remaining, 207.722656 MB of memory in use. ENERGY: 745000 769.1554 2060.7331 1963.7909 122.7627 -206501.3202 17916.4396 0.0000 0.0000 33980.6721 -149687.7663 296.7617 -183668.4384 -149591.5861 298.2786 -29.7526 2.1613 558026.8703 -3.7733 -3.7107 PRESSURE: 745200 -12.1962 -103.91 -177.796 -103.908 -66.2003 -64.9037 -177.796 -64.9054 53.8096 GPRESSURE: 745200 -7.54737 -10.4879 -117.568 -152.42 -72.3821 -108.189 -182.229 -99.8934 155.925 PRESSAVG: 745200 -47.1978 35.57 -16.2148 35.5701 -21.6331 -44.0036 -16.2148 -44.0037 97.5411 GPRESSAVG: 745200 -47.2656 36.1375 -18.2393 31.6581 -22.7745 -42.2935 -15.2647 -45.0341 98.3514 TIMING: 745200 CPU: 2157.66, 0.00289253/step Wall: 2157.66, 0.00289253/step, 3.41864 hours remaining, 207.722656 MB of memory in use. ENERGY: 745200 736.5422 2115.0065 1961.7054 116.3594 -206542.4376 17833.4010 0.0000 0.0000 34081.7753 -149697.6478 297.6446 -183779.4231 -149598.6114 297.7605 -8.1956 25.3318 556030.6256 9.5700 9.4371 PRESSURE: 745400 -92.6775 26.793 102.336 26.7934 -114.754 -39.2539 102.337 -39.2546 -112.719 GPRESSURE: 745400 -108.863 4.7749 151.777 49.7538 3.80766 -2.05098 44.3683 -66.7888 -111.595 PRESSAVG: 745400 -52.3246 -32.2788 5.37303 -32.2788 30.6387 -6.34238 5.37303 -6.34234 9.07022 GPRESSAVG: 745400 -51.4931 -33.8546 6.81517 -30.6092 30.8307 -7.59528 5.90114 -7.17161 7.62465 TIMING: 745400 CPU: 2158.24, 0.00288175/step Wall: 2158.24, 0.00288175/step, 3.40574 hours remaining, 207.722656 MB of memory in use. ENERGY: 745400 765.1969 2054.0585 1933.6025 120.5799 -206516.6426 17717.6944 0.0000 0.0000 34219.3195 -149706.1910 298.8458 -183925.5105 -149605.2993 297.6659 -106.7170 -72.2167 554391.6876 -4.2052 -4.3459 PRESSURE: 745600 -288.667 -87.9183 -229.005 -87.9188 -282.251 -99.2154 -229.006 -99.2169 -2.24725 GPRESSURE: 745600 -217.983 -98.0141 -268.677 -67.7316 -258.942 16.2835 -111.386 -22.1273 11.7034 PRESSAVG: 745600 0.000730051 -31.0233 9.36138 -31.0233 4.20864 -49.9095 9.36125 -49.9094 -18.9261 GPRESSAVG: 745600 -1.68962 -30.4605 9.92552 -30.8524 5.6616 -50.4081 9.02152 -46.8014 -18.2005 TIMING: 745600 CPU: 2158.81, 0.00288005/step Wall: 2158.81, 0.00288005/step, 3.40358 hours remaining, 207.722656 MB of memory in use. ENERGY: 745600 793.4859 2117.9031 1959.0859 100.4303 -206446.3077 17769.3357 0.0000 0.0000 34201.3272 -149504.7396 298.6887 -183706.0668 -149409.6364 298.4526 -191.0551 -155.0737 556735.9480 -4.9056 -4.7428 PRESSURE: 745800 -275.732 -64.1813 100.574 -64.1822 63.6949 94.051 100.575 94.0506 -249.475 GPRESSURE: 745800 -210.778 -13.3583 30.2931 -27.6116 46.5961 49.5133 138.476 114.359 -194.595 PRESSAVG: 745800 -35.6801 -15.7544 4.74484 -15.7544 37.08 -8.13307 4.74486 -8.13314 8.80264 GPRESSAVG: 745800 -34.0386 -17.1604 3.29746 -15.5062 34.6811 -5.71899 5.77041 -10.1948 9.38153 TIMING: 745800 CPU: 2159.39, 0.00288354/step Wall: 2159.39, 0.00288355/step, 3.40755 hours remaining, 207.722656 MB of memory in use. ENERGY: 745800 791.0513 2188.4201 1938.4702 121.1363 -206390.2695 17714.0433 0.0000 0.0000 34080.5888 -149556.5596 297.6343 -183637.1483 -149455.8962 298.1838 -153.8376 -119.5922 557165.1888 3.4009 3.3413 PRESSURE: 746000 88.8193 144.7 -64.425 144.699 58.7385 -54.0835 -64.4246 -54.0806 -199.195 GPRESSURE: 746000 132.473 125.084 -52.8318 149.484 129.58 -37.9153 -36.111 10.9904 -219.313 PRESSAVG: 746000 26.4403 -3.40281 35.1457 -3.4029 6.13283 47.5386 35.1457 47.5387 -9.71153 GPRESSAVG: 746000 25.5679 -4.12192 36.0932 -3.6039 7.71014 44.0754 34.9423 48.8394 -9.96069 TIMING: 746000 CPU: 2159.96, 0.002875/step Wall: 2159.96, 0.002875/step, 3.39729 hours remaining, 207.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 746000 750.2524 2135.5208 1972.1440 104.9011 -206514.1341 17783.9841 0.0000 0.0000 34219.7344 -149547.5972 298.8495 -183767.3316 -149449.1466 298.5858 -17.2124 14.2466 557107.4685 7.6205 7.7725 PRESSURE: 746200 126.922 -177.484 -8.00213 -177.484 175.673 56.3113 -8.00212 56.3118 -3.09793 GPRESSURE: 746200 93.6348 -254.078 -98.611 -175.83 213.37 -4.93311 61.1338 64.5263 88.6496 PRESSAVG: 746200 12.9313 -25.6934 71.8126 -25.6933 11.0477 56.2524 71.8125 56.2523 -31.1198 GPRESSAVG: 746200 13.2341 -24.7769 72.1641 -24.2781 10.7758 57.0169 71.3585 55.5154 -32.0179 TIMING: 746200 CPU: 2160.54, 0.00289088/step Wall: 2160.54, 0.00289088/step, 3.41589 hours remaining, 207.722656 MB of memory in use. ENERGY: 746200 745.1346 2093.7371 1955.2721 116.6398 -206564.6215 17899.4393 0.0000 0.0000 34171.1357 -149583.2629 298.4250 -183754.3986 -149489.0996 298.1409 99.8320 131.8847 556790.1724 -2.3803 -2.6693 PRESSURE: 746400 -124.993 -104.463 -56.4687 -104.463 -128.861 -13.5747 -56.4688 -13.5741 114.462 GPRESSURE: 746400 -81.0581 -193.682 -20.8063 -58.9576 -141.597 -15.0227 -52.7315 53.3723 180.659 PRESSAVG: 746400 -80.4867 -25.6713 19.1705 -25.6713 -25.3871 7.76951 19.1706 7.76941 64.4569 GPRESSAVG: 746400 -79.8457 -24.5056 20.3642 -28.2654 -26.2074 9.81449 17.6931 7.33871 64.9627 TIMING: 746400 CPU: 2161.12, 0.00290189/step Wall: 2161.12, 0.00290189/step, 3.42875 hours remaining, 207.722656 MB of memory in use. ENERGY: 746400 742.2632 2120.3172 1956.6590 112.8640 -206582.2109 18021.3986 0.0000 0.0000 34110.2487 -149518.4601 297.8933 -183628.7088 -149420.9102 298.3009 -46.4642 -13.9986 558996.8200 -13.8056 -13.6968 PRESSURE: 746600 -12.7152 -87.1115 -107.525 -87.1132 96.2669 -194.866 -107.526 -194.867 89.2361 GPRESSURE: 746600 46.9143 -164.17 -62.9127 6.37894 117.169 -253.405 -70.0459 -122.011 94.3077 PRESSAVG: 746600 -50.9029 -25.5631 57.9374 -25.5631 24.8874 -8.06134 57.9374 -8.06145 16.1473 GPRESSAVG: 746600 -52.1558 -26.1084 56.4606 -24.2981 26.078 -8.52348 60.1035 -7.02178 15.4848 TIMING: 746600 CPU: 2161.7, 0.00288776/step Wall: 2161.7, 0.00288776/step, 3.41188 hours remaining, 207.722656 MB of memory in use. ENERGY: 746600 745.7284 2110.1083 1947.9102 126.3492 -206724.4700 18012.0004 0.0000 0.0000 34324.8637 -149457.5097 299.7676 -183782.3734 -149364.3424 298.2397 57.5959 86.1304 557838.1466 -3.2894 -3.5310 PRESSURE: 746800 -59.2945 98.2914 121.028 98.2903 133.665 -45.9043 121.028 -45.9052 -104.152 GPRESSURE: 746800 -24.836 7.0085 102.534 166.113 156.751 14.1872 145.986 36.9017 -62.0635 PRESSAVG: 746800 -52.1373 -19.9876 22.4388 -19.9875 38.2505 -14.4286 22.4387 -14.4285 57.7279 GPRESSAVG: 746800 -52.0679 -22.0977 23.6656 -19.1621 37.1238 -15.085 23.5046 -14.6365 58.0983 TIMING: 746800 CPU: 2162.28, 0.00290198/step Wall: 2162.28, 0.00290198/step, 3.42853 hours remaining, 207.722656 MB of memory in use. ENERGY: 746800 752.6906 2078.6903 1934.7305 119.1144 -206637.0120 18089.7911 0.0000 0.0000 34200.9709 -149461.0242 298.6856 -183661.9951 -149366.2989 298.9011 -9.9271 23.2837 556547.9996 14.6137 14.3847 PRESSURE: 747000 80.8765 -67.3414 -77.7452 -67.3405 55.8369 -25.0868 -77.7451 -25.0869 119.318 GPRESSURE: 747000 157.902 -37.6513 -122.195 -165.687 61.3182 -22.585 -55.4579 82.2594 131.498 PRESSAVG: 747000 -63.9027 -12.9338 34.9345 -12.9338 73.9564 -11.3295 34.9345 -11.3294 -43.902 GPRESSAVG: 747000 -63.3374 -9.06674 33.8593 -14.956 74.3078 -10.6519 32.6907 -10.838 -45.3439 TIMING: 747000 CPU: 2162.85, 0.00287112/step Wall: 2162.85, 0.00287112/step, 3.39191 hours remaining, 207.722656 MB of memory in use. ENERGY: 747000 773.4471 2141.8374 1950.0895 112.4800 -206422.8754 17863.6606 0.0000 0.0000 34300.3610 -149280.9997 299.5536 -183581.3608 -149189.0377 299.0747 85.3439 116.9063 555532.9506 -11.2828 -11.4578 PRESSURE: 747200 123.758 -215.113 3.71934 -215.114 107.112 -52.3177 3.71855 -52.3181 517.535 GPRESSURE: 747200 162.678 -253.937 0.325835 -212.449 141.642 27.372 58.782 -56.508 547.359 PRESSAVG: 747200 -0.226756 -57.2631 38.2507 -57.2632 21.3179 -5.74755 38.2506 -5.74751 54.7061 GPRESSAVG: 747200 -0.658071 -59.056 36.5392 -56.5013 22.3911 -6.56997 39.506 -6.4732 53.4612 TIMING: 747200 CPU: 2163.43, 0.00289325/step Wall: 2163.43, 0.00289325/step, 3.41789 hours remaining, 207.722656 MB of memory in use. ENERGY: 747200 736.0018 2172.8800 1937.5981 117.1189 -206743.4919 18144.9573 0.0000 0.0000 34211.1069 -149423.8288 298.7741 -183634.9357 -149334.6605 299.7042 249.4685 283.8931 554262.1245 25.2657 25.0647 PRESSURE: 747400 -76.1225 76.9111 -42.165 76.911 -180.51 -135.483 -42.1644 -135.483 148.531 GPRESSURE: 747400 -86.2845 129.326 -17.5469 67.1617 -116.235 -139.497 -70.6464 -134.742 180.736 PRESSAVG: 747400 -142.779 -19.0944 -9.981 -19.0944 -10.0252 23.7076 -9.98101 23.7075 117.002 GPRESSAVG: 747400 -141.455 -19.5969 -10.1143 -19.1289 -11.2658 24.9846 -10.7507 23.0332 116.589 TIMING: 747400 CPU: 2164.01, 0.00288229/step Wall: 2164.01, 0.00288229/step, 3.40479 hours remaining, 207.722656 MB of memory in use. ENERGY: 747400 759.3276 2124.9556 1941.1880 111.7477 -206230.6737 17662.7487 0.0000 0.0000 34207.1384 -149423.5677 298.7394 -183630.7061 -149326.1700 298.4234 -36.0339 -7.2612 555752.2686 -11.9342 -12.0437 PRESSURE: 747600 -286.509 81.3486 -33.3874 81.3482 86.8977 -71.732 -33.3872 -71.732 -155.892 GPRESSURE: 747600 -271.998 8.53649 -102.455 -12.2104 115.549 -135.204 -71.8975 -35.7434 -98.5494 PRESSAVG: 747600 -107.013 40.024 -51.3797 40.024 81.3765 24.7673 -51.3797 24.7673 59.1011 GPRESSAVG: 747600 -108.052 42.5152 -49.6316 39.3757 80.4718 21.9515 -52.169 25.2636 60.7325 TIMING: 747600 CPU: 2164.59, 0.00290166/step Wall: 2164.59, 0.00290166/step, 3.4275 hours remaining, 207.722656 MB of memory in use. ENERGY: 747600 761.1221 2105.3720 1937.7651 121.2447 -205955.0521 17575.7180 0.0000 0.0000 34132.7201 -149321.1102 298.0895 -183453.8302 -149226.1240 298.4334 -118.5008 -84.9995 557825.3416 11.1549 11.0509 PRESSURE: 747800 -57.2003 50.1287 33.7347 50.1286 215.173 40.0646 33.7346 40.0657 87.9904 GPRESSURE: 747800 -16.7451 17.8175 8.49339 138.916 217.489 40.264 86.7369 68.2445 144.924 PRESSAVG: 747800 -70.4284 -44.8146 8.3377 -44.8147 80.4516 32.0841 8.33778 32.0841 -4.25429 GPRESSAVG: 747800 -70.8729 -46.3867 8.51963 -43.8056 81.4737 32.4319 12.0229 32.6273 -5.73468 TIMING: 747800 CPU: 2165.17, 0.00289128/step Wall: 2165.17, 0.00289128/step, 3.41508 hours remaining, 207.722656 MB of memory in use. ENERGY: 747800 785.1415 2129.5959 1925.7483 115.7027 -206739.7750 18017.7771 0.0000 0.0000 34389.9101 -149375.8993 300.3356 -183765.8093 -149276.9320 299.3097 81.9879 115.2227 556539.5863 1.9230 1.6221 PRESSURE: 748000 -124.03 -85.5128 -112.53 -85.5113 -74.127 91.1714 -112.53 91.1711 18.9807 GPRESSURE: 748000 -122.363 1.832 -164.714 -164.93 -35.403 132.901 -89.2901 65.8448 76.0447 PRESSAVG: 748000 -41.838 17.5129 6.40147 17.513 30.0781 25.1406 6.40145 25.1406 39.6265 GPRESSAVG: 748000 -43.2769 15.3932 7.62366 17.1852 30.7055 25.9662 4.99329 24.8798 41.024 TIMING: 748000 CPU: 2165.75, 0.00292567/step Wall: 2165.75, 0.00292567/step, 3.45554 hours remaining, 207.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 748000 772.3459 2076.5103 1938.5875 113.7915 -206156.3018 17686.4733 0.0000 0.0000 34281.2775 -149287.3157 299.3869 -183568.5933 -149186.2941 299.5897 -59.7254 -27.2403 557238.6059 9.2889 9.4842 PRESSURE: 748200 163.578 -128.922 -98.0245 -128.922 152.913 86.0716 -98.0242 86.0717 -37.4395 GPRESSURE: 748200 218.625 -56.2962 -191.954 -171.568 157.832 68.9797 42.2736 118.828 -8.22042 PRESSAVG: 748200 -49.7195 -28.0774 -12.1449 -28.0774 -1.97287 46.0722 -12.1448 46.0723 42.8475 GPRESSAVG: 748200 -48.5118 -26.6683 -14.7617 -28.5545 -3.01937 45.7709 -11.3341 46.0026 42.3218 TIMING: 748200 CPU: 2166.33, 0.00290426/step Wall: 2166.33, 0.00290426/step, 3.43009 hours remaining, 207.722656 MB of memory in use. ENERGY: 748200 771.5419 2108.6682 1934.3299 106.9092 -205993.8547 17759.5399 0.0000 0.0000 34137.4153 -149175.4503 298.1305 -183312.8656 -149084.1162 299.2654 93.0172 122.7455 555982.4189 -2.9483 -3.0698 LDB: ============= START OF LOAD BALANCING ============== 2169.72 LDB: ============== END OF LOAD BALANCING =============== 2169.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2169.72 LDB: ============= START OF LOAD BALANCING ============== 2170.02 LDB: Largest compute 4820 load 0.026295 is 22.3% of average load 0.117907 LDB: Average compute 0.001715 is 1.5% of average load 0.117907 LDB: TIME 2170.02 LOAD: AVG 0.117907 MAX 0.185738 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 2170.02 LOAD: AVG 0.117907 MAX 0.185738 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: TIME 2170.02 LOAD: AVG 0.117907 MAX 0.185738 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2170.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2170.02 PRESSURE: 748400 -317.484 -26.8647 -145.584 -26.8647 -92.8041 -79.0001 -145.583 -79 301.697 GPRESSURE: 748400 -295.024 -25.0531 -36.0391 -35.171 -20.1593 68.3303 -164.8 -173.196 301.693 PRESSAVG: 748400 -29.3991 -45.0137 -6.69583 -45.0138 51.2761 -4.86022 -6.69576 -4.86021 0.65525 GPRESSAVG: 748400 -28.8018 -45.6568 -4.53876 -43.2462 51.7661 -6.07824 -6.17175 -3.47117 -0.698912 TIMING: 748400 CPU: 2166.93, 0.00297413/step Wall: 2166.93, 0.00297413/step, 3.51245 hours remaining, 206.183594 MB of memory in use. ENERGY: 748400 727.5176 2089.7309 1966.5490 121.7849 -206138.0216 17608.3974 0.0000 0.0000 34503.8399 -149120.2019 301.3306 -183624.0418 -149023.1976 299.7160 -36.1970 -4.4969 556272.7909 7.5107 7.4218 PRESSURE: 748600 -388.695 176.252 -70.5456 176.252 -339.861 165.687 -70.5462 165.687 -347.067 GPRESSURE: 748600 -355.435 159.348 -44.8101 121.671 -254.663 115.772 -174.671 161.039 -363.566 PRESSAVG: 748600 -46.0071 77.9581 -36.402 77.958 22.0356 -8.66148 -36.402 -8.66147 31.6076 GPRESSAVG: 748600 -45.3618 78.5428 -38.8839 74.1611 20.7036 -9.50638 -37.6744 -11.2406 32.723 TIMING: 748600 CPU: 2167.51, 0.00291943/step Wall: 2167.51, 0.00291943/step, 3.44769 hours remaining, 206.382812 MB of memory in use. ENERGY: 748600 780.6061 2083.7057 1960.4937 115.5514 -205773.0576 17494.0986 0.0000 0.0000 34401.1363 -148937.4658 300.4337 -183338.6021 -148832.3322 300.5413 -358.5412 -324.5546 558457.7125 2.5454 2.6883 PRESSURE: 748800 -169.99 -75.7615 -122.576 -75.7612 -255.68 -24.4128 -122.576 -24.4129 142.112 GPRESSURE: 748800 -164.711 43.4064 -180.83 -98.4471 -232.676 3.23443 -46.4614 -66.1933 202.476 PRESSAVG: 748800 -53.2986 20.1931 -12.2434 20.1932 12.7651 9.19684 -12.2434 9.19683 24.2431 GPRESSAVG: 748800 -53.2999 19.8657 -10.0745 23.0822 13.2223 11.6113 -12.2023 11.4313 23.4221 TIMING: 748800 CPU: 2168.09, 0.00290848/step Wall: 2168.09, 0.00290848/step, 3.43459 hours remaining, 206.382812 MB of memory in use. ENERGY: 748800 752.2286 2047.5909 1969.9389 116.0419 -205985.7025 17746.4459 0.0000 0.0000 34460.1120 -148893.3444 300.9487 -183353.4564 -148792.7470 300.4243 -94.5191 -64.9706 558033.4899 -5.4301 -5.5518 PRESSURE: 749000 -133.144 174.818 13.3545 174.818 -100.948 -51.7465 13.3537 -51.7478 -187.367 GPRESSURE: 749000 -52.1282 134.479 23.8819 114.369 -60.0005 -83.2429 71.0069 -85.2066 -213.043 PRESSAVG: 749000 44.0536 0.950626 62.5618 0.950512 -92.8958 -8.35469 62.5618 -8.35473 80.6653 GPRESSAVG: 749000 43.9769 1.31756 63.7933 -1.74573 -92.9428 -10.3779 61.9882 -9.5795 80.8916 TIMING: 749000 CPU: 2168.67, 0.00288657/step Wall: 2168.67, 0.00288657/step, 3.40855 hours remaining, 206.382812 MB of memory in use. ENERGY: 749000 742.8899 2053.6444 1966.7435 110.4920 -205835.6155 17649.3510 0.0000 0.0000 34361.7526 -148950.7421 300.0897 -183312.4948 -148852.1238 300.2762 -140.4864 -108.3907 558195.9324 10.6077 10.6419 PRESSURE: 749200 -18.1588 161.161 -49.1451 161.161 89.8372 -77.5529 -49.1454 -77.5524 281.802 GPRESSURE: 749200 -11.5859 262.115 -61.9976 104.632 170.301 -35.5422 -57.0956 -51.4389 288.918 PRESSAVG: 749200 -29.8823 29.7617 19.6149 29.7618 37.9471 -5.11645 19.6149 -5.11634 28.2053 GPRESSAVG: 749200 -29.3354 30.6247 17.7828 30.8592 36.6848 -4.67644 19.1099 -5.19579 27.7566 TIMING: 749200 CPU: 2169.24, 0.00286507/step Wall: 2169.24, 0.00286507/step, 3.38301 hours remaining, 206.382812 MB of memory in use. ENERGY: 749200 758.8966 2073.8312 1961.2535 111.3576 -206184.1464 17990.5021 0.0000 0.0000 34217.5112 -149070.7943 298.8300 -183288.3055 -148972.1502 299.7024 117.8268 149.2113 558496.4805 12.0900 11.7020 PRESSURE: 749400 -51.7092 59.5793 43.3645 59.5785 -153.844 92.5283 43.3642 92.5287 103.627 GPRESSURE: 749400 -79.3835 62.6048 92.3356 -60.2386 -95.5383 22.5851 27.8786 40.1394 167.338 PRESSAVG: 749400 -65.2981 44.0674 42.784 44.0673 13.4648 -5.37217 42.784 -5.37231 -16.4496 GPRESSAVG: 749400 -65.3827 43.9539 40.9348 43.756 14.0806 -5.23146 43.2519 -5.4899 -17.6824 TIMING: 749400 CPU: 2169.83, 0.00290442/step Wall: 2169.83, 0.00290442/step, 3.42932 hours remaining, 206.382812 MB of memory in use. ENERGY: 749400 740.0440 2035.3880 1950.6448 129.3046 -205805.5182 17692.5457 0.0000 0.0000 34179.2857 -149078.3055 298.4962 -183257.5911 -148984.6506 298.6925 -33.9752 -2.5278 558955.7869 -22.7610 -22.9948 PRESSURE: 749600 -33.8761 33.5379 -75.3755 33.5372 102.148 -115.12 -75.3765 -115.121 148.895 GPRESSURE: 749600 -6.07097 9.11463 -55.9109 78.1499 92.9665 -88.1022 -4.70479 -167.705 230.045 PRESSAVG: 749600 -103.287 -26.3457 -43.2445 -26.3457 8.3636 -8.96868 -43.2445 -8.96862 59.5438 GPRESSAVG: 749600 -104.562 -26.1678 -43.3567 -25.09 7.74539 -8.10408 -42.1762 -8.53302 61.5412 TIMING: 749600 CPU: 2170.4, 0.00289247/step Wall: 2170.4, 0.00289247/step, 3.41504 hours remaining, 206.382812 MB of memory in use. ENERGY: 749600 751.6135 2097.9118 1948.0249 122.2158 -206161.7175 17811.0554 0.0000 0.0000 34194.2766 -149236.6194 298.6271 -183430.8960 -149140.2905 299.5046 72.3889 105.6468 557472.9191 -11.7931 -11.7583 PRESSURE: 749800 -111.206 -53.5397 -5.68713 -53.5393 247.987 4.10548 -5.68586 4.10558 194.223 GPRESSURE: 749800 -48.7229 32.572 60.729 -77.325 277.085 -11.6458 -13.9106 36.1805 213.686 PRESSAVG: 749800 -88.4898 -50.0184 -37.7018 -50.0184 26.8879 -20.7858 -37.7019 -20.7857 42.7103 GPRESSAVG: 749800 -88.1597 -50.7111 -36.11 -51.5256 27.7255 -22.6865 -38.9267 -20.0647 41.2846 TIMING: 749800 CPU: 2170.98, 0.00289625/step Wall: 2170.98, 0.00289625/step, 3.41935 hours remaining, 206.382812 MB of memory in use. ENERGY: 749800 692.4068 2063.7402 1952.9006 107.6633 -206384.2248 18033.4869 0.0000 0.0000 34223.6178 -149310.4093 298.8834 -183534.0270 -149222.3630 298.8399 110.3348 147.3494 558409.2567 -6.2972 -6.3832 PRESSURE: 750000 -105.328 -73.5744 124.541 -73.5749 23.7503 -32.3659 124.541 -32.3668 -122.854 GPRESSURE: 750000 -110.321 0.772652 148.025 -96.5875 73.7114 9.2597 98.8611 -138.337 -81.827 PRESSAVG: 750000 -67.6713 -11.2185 -1.21383 -11.2185 46.1303 25.3049 -1.21383 25.3048 66.8164 GPRESSAVG: 750000 -67.7252 -8.42511 0.81414 -11.2808 46.054 24.6021 0.0281642 24.2735 66.4615 TIMING: 750000 CPU: 2171.57, 0.00292121/step Wall: 2171.57, 0.00292121/step, 3.44865 hours remaining, 206.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 750000 760.8145 2115.4829 1952.9391 106.9287 -206207.3637 17732.6887 0.0000 0.0000 34209.3457 -149329.1641 298.7587 -183538.5098 -149230.3803 299.0787 -68.1439 -39.4788 559255.2785 15.0918 14.9301 PRESSURE: 750200 -401.604 -166.022 111.388 -166.023 -402.897 109.967 111.388 109.968 -191.161 GPRESSURE: 750200 -372.901 -69.396 69.2183 -222.068 -353.508 110.067 102.787 85.451 -171.258 PRESSAVG: 750200 -55.335 -38.7723 34.5468 -38.7723 -12.2078 -0.00253386 34.5469 -0.00243484 45.7719 GPRESSAVG: 750200 -54.8171 -42.526 32.1542 -37.1029 -13.0401 1.33015 33.3297 -1.09083 45.5897 TIMING: 750200 CPU: 2172.15, 0.0029225/step Wall: 2172.15, 0.0029225/step, 3.45001 hours remaining, 206.382812 MB of memory in use. ENERGY: 750200 752.8443 2081.5773 1957.4828 122.3647 -205693.3059 17334.0811 0.0000 0.0000 34207.5390 -149237.4169 298.7429 -183444.9559 -149141.0667 298.7278 -331.8871 -299.2225 558781.4743 -7.2570 -7.4225 PRESSURE: 750400 -221.658 -149.443 76.6624 -149.443 -32.572 149.364 76.6616 149.365 -221.794 GPRESSURE: 750400 -128.661 -62.9386 137.323 -190.878 -64.3085 73.4491 36.0043 145.708 -178.785 PRESSAVG: 750400 -92.0975 -32.9083 -3.68001 -32.9084 20.4541 -5.66453 -3.67986 -5.66461 91.6746 GPRESSAVG: 750400 -91.9856 -33.4929 -4.13075 -32.4364 20.5067 -4.25037 -3.29577 -6.00875 91.9726 TIMING: 750400 CPU: 2172.73, 0.00290409/step Wall: 2172.73, 0.00290409/step, 3.42812 hours remaining, 206.382812 MB of memory in use. ENERGY: 750400 802.3638 2127.6299 1964.9925 129.3398 -206200.4249 17644.8045 0.0000 0.0000 34284.9758 -149246.3185 299.4192 -183531.2943 -149148.6956 299.4632 -158.6745 -123.9181 556320.5154 6.6771 6.8312 PRESSURE: 750600 -130.168 -40.4234 147.732 -40.4249 -184.894 1.05607 147.732 1.05543 -211.824 GPRESSURE: 750600 -81.5565 53.8062 129.436 -4.00277 -157.134 115.968 118.56 -63.2813 -194.045 PRESSAVG: 750600 -62.7031 -30.4522 60.8551 -30.4523 21.404 7.29235 60.8552 7.29236 89.3696 GPRESSAVG: 750600 -63.8925 -31.5296 59.8178 -29.1964 20.8658 6.79434 62.2742 8.56592 91.066 TIMING: 750600 CPU: 2173.32, 0.00292478/step Wall: 2173.32, 0.00292478/step, 3.45238 hours remaining, 206.382812 MB of memory in use. ENERGY: 750600 757.0016 2096.3239 1935.9793 112.6722 -205869.6425 17497.0581 0.0000 0.0000 34450.4357 -149020.1717 300.8642 -183470.6074 -148929.7795 299.4178 -175.6286 -144.2451 557295.4544 16.0235 16.0131 PRESSURE: 750800 -124.613 32.0765 -4.65144 32.0759 -147.507 35.4009 -4.65131 35.4006 -203.542 GPRESSURE: 750800 -102.986 65.504 -34.3603 52.7008 -125.115 75.5714 32.0783 30.5786 -155.881 PRESSAVG: 750800 29.1603 -43.3395 7.21652 -43.3396 -55.3892 -13.2145 7.21645 -13.2145 4.32503 GPRESSAVG: 750800 28.201 -39.6135 7.56102 -45.4319 -54.6193 -13.739 7.23452 -14.4293 4.13823 TIMING: 750800 CPU: 2173.9, 0.00291984/step Wall: 2173.9, 0.00291984/step, 3.44639 hours remaining, 206.382812 MB of memory in use. ENERGY: 750800 758.9332 2079.1999 1964.4251 127.2331 -205702.4648 17488.0841 0.0000 0.0000 34187.9509 -149096.6386 298.5719 -183284.5894 -149004.4690 299.7550 -158.5541 -127.9939 557414.8282 -7.3013 -7.4267 PRESSURE: 751000 -133.15 59.6037 -53.0831 59.6035 -95.3138 32.489 -53.082 32.4897 68.8969 GPRESSURE: 751000 -98.724 62.525 -110.071 27.2818 -55.1363 16.847 -40.4436 42.8949 97.9995 PRESSAVG: 751000 0.252505 9.96955 10.3801 9.9696 -7.00726 37.422 10.3802 37.4221 12.9536 GPRESSAVG: 751000 1.06002 7.34522 12.7119 11.8461 -7.53024 38.6116 10.5172 39.0428 11.9692 TIMING: 751000 CPU: 2174.49, 0.00292032/step Wall: 2174.49, 0.00292032/step, 3.44679 hours remaining, 206.382812 MB of memory in use. ENERGY: 751000 759.6128 2063.5378 1955.8169 131.1793 -206234.5120 17751.7454 0.0000 0.0000 34499.1819 -149073.4380 301.2899 -183572.6199 -148977.6556 300.0540 -53.1888 -18.6203 559191.7716 2.0663 1.8330 PRESSURE: 751200 5.15748 86.7003 29.3894 86.7006 57.0159 14.0164 29.3899 14.016 -51.2559 GPRESSURE: 751200 12.6643 53.3886 18.0228 40.3018 103.514 45.1313 -0.802564 27.3912 -2.53238 PRESSAVG: 751200 -12.902 68.125 9.21356 68.125 9.08735 -35.2089 9.21359 -35.209 -2.3251 GPRESSAVG: 751200 -13.1542 68.7621 8.6043 69.1093 10.001 -36.5505 6.20742 -35.2184 -2.61252 TIMING: 751200 CPU: 2175.07, 0.00292365/step Wall: 2175.07, 0.00292365/step, 3.45056 hours remaining, 206.382812 MB of memory in use. ENERGY: 751200 707.1632 2070.8275 1964.3360 105.7506 -206064.3336 17716.2422 0.0000 0.0000 34381.5026 -149118.5116 300.2622 -183500.0142 -149015.3127 298.8831 3.6392 37.8821 557246.7780 -2.0466 -1.9219 PRESSURE: 751400 -91.4306 -66.4493 -183.156 -66.4492 -58.6138 -17.6443 -183.154 -17.6435 -103.551 GPRESSURE: 751400 -49.195 -66.636 -125.429 -124.133 -94.1687 47.9563 -258.4 -43.3896 -16.5812 PRESSAVG: 751400 -1.81907 -13.2706 23.9279 -13.2706 -3.24343 -31.3653 23.9279 -31.3652 52.5196 GPRESSAVG: 751400 -0.845263 -12.6153 23.5219 -15.1956 -4.76651 -30.4193 27.241 -32.5115 52.9233 TIMING: 751400 CPU: 2175.66, 0.00294811/step Wall: 2175.66, 0.00294811/step, 3.47926 hours remaining, 206.382812 MB of memory in use. ENERGY: 751400 701.8794 2074.8675 1941.5564 119.6906 -205429.8957 17370.7566 0.0000 0.0000 34225.4978 -148995.6474 298.8998 -183221.1452 -148897.8885 299.5851 -84.5317 -53.3150 558669.8679 15.8190 15.7705 PRESSURE: 751600 -36.998 -127.664 71.3133 -127.664 -13.5808 -29.1614 71.3125 -29.1615 -86.7509 GPRESSURE: 751600 21.2927 -39.1573 -11.1686 -136.508 36.611 19.0491 190.014 -5.94704 -107.128 PRESSAVG: 751600 33.7201 -40.0328 -36.169 -40.0328 -15.7796 -23.1122 -36.169 -23.1122 -62.2059 GPRESSAVG: 751600 32.9907 -38.9864 -37.0224 -40.3169 -14.095 -23.9572 -36.8753 -22.2265 -63.0033 TIMING: 751600 CPU: 2176.24, 0.00292195/step Wall: 2176.24, 0.00292195/step, 3.44822 hours remaining, 206.382812 MB of memory in use. ENERGY: 751600 743.3939 2054.8122 1945.8609 100.3226 -206049.4293 17767.0493 0.0000 0.0000 34322.7967 -149115.1938 299.7495 -183437.9904 -149026.5032 298.9640 -45.7766 -16.4080 557450.5205 -14.7551 -14.7025 PRESSURE: 751800 125.926 110.366 11.8116 110.366 157.686 -48.2157 11.8119 -48.2151 263.814 GPRESSURE: 751800 171.448 10.065 5.56819 90.3372 158.144 -14.4049 -40.4583 -135.4 308.227 PRESSAVG: 751800 80.3507 -8.23018 -34.4896 -8.2302 -81.2252 -16.7518 -34.4896 -16.7517 -28.7497 GPRESSAVG: 751800 81.6828 -9.60314 -31.4806 -9.51565 -83.2231 -17.4489 -34.2901 -17.1425 -28.0792 TIMING: 751800 CPU: 2176.83, 0.00290834/step Wall: 2176.83, 0.00290834/step, 3.432 hours remaining, 206.382812 MB of memory in use. ENERGY: 751800 718.1521 2054.8167 1950.8212 110.1168 -206212.1145 17944.2326 0.0000 0.0000 34142.2774 -149291.6977 298.1730 -183433.9750 -149196.9785 298.9337 182.4754 212.6061 557077.6269 -9.8748 -9.8732 PRESSURE: 752000 -8.28666 -13.317 20.1779 -13.3165 200.742 -71.5768 20.1785 -71.5759 33.0982 GPRESSURE: 752000 79.5321 -87.8348 -8.84755 83.0409 133.058 -21.3719 20.6696 -65.1867 93.2048 PRESSAVG: 752000 42.3436 -31.8762 1.552 -31.8762 3.91168 -15.2773 1.55198 -15.2774 -54.7483 GPRESSAVG: 752000 42.3026 -31.5303 -0.674847 -31.6546 4.65628 -14.7366 1.09198 -16.043 -55.3629 TIMING: 752000 CPU: 2177.41, 0.00290848/step Wall: 2177.41, 0.00290848/step, 3.43201 hours remaining, 206.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 752000 698.9748 2104.7063 1962.6854 115.3323 -206157.1217 17763.7264 0.0000 0.0000 34260.5745 -149251.1220 299.2061 -183511.6965 -149149.3551 298.9222 75.1846 101.9316 557221.3040 -2.8310 -2.8013 PRESSURE: 752200 -396.407 13.1527 68.2251 13.1527 -176.236 -90.4052 68.2251 -90.4065 48.8454 GPRESSURE: 752200 -353.166 21.9478 53.2848 -16.7185 -159.413 -84.1237 67.7721 -77.2951 85.9088 PRESSAVG: 752200 -21.9608 34.1476 -50.4985 34.1476 -24.9983 14.9379 -50.4986 14.9379 46.017 GPRESSAVG: 752200 -22.2332 34.2276 -50.737 33.2856 -24.4078 16.1485 -50.3356 14.5498 46.0188 TIMING: 752200 CPU: 2177.99, 0.00291144/step Wall: 2177.99, 0.00291144/step, 3.43533 hours remaining, 206.382812 MB of memory in use. ENERGY: 752200 750.0137 2037.9708 1943.0688 112.8250 -205895.2465 17475.6461 0.0000 0.0000 34448.5540 -149127.1680 300.8478 -183575.7221 -149027.7735 299.9266 -174.5990 -142.2233 557474.2887 -0.3140 -0.2074 LDB: ============= START OF LOAD BALANCING ============== 2181.38 LDB: ============== END OF LOAD BALANCING =============== 2181.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2181.38 LDB: ============= START OF LOAD BALANCING ============== 2181.68 LDB: Largest compute 4820 load 0.028601 is 24.3% of average load 0.117891 LDB: Average compute 0.001720 is 1.5% of average load 0.117891 LDB: TIME 2181.68 LOAD: AVG 0.117891 MAX 0.184851 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.719 MB LDB: TIME 2181.68 LOAD: AVG 0.117891 MAX 0.18485 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.719 MB LDB: TIME 2181.68 LOAD: AVG 0.117891 MAX 0.18485 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.719 MB LDB: ============== END OF LOAD BALANCING =============== 2181.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2181.69 PRESSURE: 752400 -352.804 128.892 80.3669 128.891 -17.7233 -51.7918 80.3671 -51.7941 -5.54905 GPRESSURE: 752400 -325.667 135.39 47.4899 56.7929 -8.36979 -38.7264 152.412 -83.4141 38.0184 PRESSAVG: 752400 -84.933 9.65558 -41.2765 9.6556 24.1473 -9.6058 -41.2766 -9.60581 41.0226 GPRESSAVG: 752400 -85.1553 6.85287 -40.9067 12.3534 23.3686 -10.3074 -41.2868 -9.27323 42.1619 TIMING: 752400 CPU: 2178.59, 0.0030063/step Wall: 2178.59, 0.0030063/step, 3.5471 hours remaining, 207.464844 MB of memory in use. ENERGY: 752400 730.6795 2061.7608 1965.8381 98.8041 -205681.0461 17447.0371 0.0000 0.0000 34358.8796 -149018.0471 300.0646 -183376.9267 -148923.8326 299.7781 -125.3589 -98.6727 558270.7787 -6.5877 -6.5416 PRESSURE: 752600 -124.635 151.021 295.271 151.02 97.0307 -13.9943 295.269 -13.9939 -222.469 GPRESSURE: 752600 -57.4497 193.887 216.214 130.623 72.1431 -18.0974 328.156 -123.615 -151.575 PRESSAVG: 752600 2.16424 32.8845 61.558 32.8845 23.0014 -26.4953 61.558 -26.4952 -18.5232 GPRESSAVG: 752600 3.16569 33.553 59.8522 30.4965 23.2874 -29.137 62.974 -25.4594 -19.5798 TIMING: 752600 CPU: 2179.18, 0.0029323/step Wall: 2179.18, 0.0029323/step, 3.45963 hours remaining, 207.667969 MB of memory in use. ENERGY: 752600 742.6004 2030.0981 1946.0673 111.3624 -205825.6658 17561.2899 0.0000 0.0000 34269.9335 -149164.3143 299.2879 -183434.2477 -149066.3435 300.3868 -83.3576 -45.6274 557217.8921 2.2142 2.2911 PRESSURE: 752800 207.908 163.451 64.0177 163.451 363.246 122.273 64.0178 122.271 -360.834 GPRESSURE: 752800 229.498 123.658 -0.653682 120.022 403.361 131.192 86.7767 102.124 -311.268 PRESSAVG: 752800 -26.0298 -2.80456 53.4363 -2.80445 60.1751 -21.0851 53.4364 -21.0852 -61.6536 GPRESSAVG: 752800 -26.7417 -0.16416 53.6823 -0.22801 60.0358 -17.1198 52.259 -22.064 -60.6992 TIMING: 752800 CPU: 2179.76, 0.00290595/step Wall: 2179.76, 0.00290595/step, 3.42838 hours remaining, 207.667969 MB of memory in use. ENERGY: 752800 721.7027 2066.0238 1943.6887 110.3090 -206435.9741 17872.7346 0.0000 0.0000 34364.0126 -149357.5028 300.1095 -183721.5154 -149256.1542 298.9524 70.1065 107.1970 555482.7902 -9.1694 -9.1350 PRESSURE: 753000 -336.443 79.2457 53.9877 79.2454 -19.4889 237.41 53.9888 237.412 -151.776 GPRESSURE: 753000 -310.065 3.24516 89.9044 108.068 -27.6924 275.403 -12.9254 200.084 -81.0131 PRESSAVG: 753000 2.16121 65.9214 61.1429 65.9214 93.236 83.1106 61.1429 83.1104 -80.6783 GPRESSAVG: 753000 1.7641 63.67 61.5826 63.1332 92.8871 81.4777 60.438 83.4744 -80.59 TIMING: 753000 CPU: 2180.34, 0.00291649/step Wall: 2180.34, 0.00291649/step, 3.44064 hours remaining, 207.667969 MB of memory in use. ENERGY: 753000 760.8656 2091.0507 1951.5471 116.1745 -206394.4692 17748.3171 0.0000 0.0000 34364.7357 -149361.7785 300.1158 -183726.5142 -149268.7267 299.4328 -169.2362 -139.5902 556547.9925 4.9063 4.6871 PRESSURE: 753200 249.614 127.581 133.907 127.582 193.483 -87.328 133.906 -87.3286 276.088 GPRESSURE: 753200 268.001 203.364 140.786 69.5661 211.243 -74.9899 138.065 -142.887 336.83 PRESSAVG: 753200 -16.4325 46.8257 -37.7295 46.8257 15.0719 21.2941 -37.7295 21.2941 2.90152 GPRESSAVG: 753200 -15.9735 46.3164 -36.3092 49.6824 14.6984 21.1712 -39.0617 20.4289 2.64701 TIMING: 753200 CPU: 2180.93, 0.00292525/step Wall: 2180.93, 0.00292525/step, 3.45082 hours remaining, 207.667969 MB of memory in use. ENERGY: 753200 724.5389 2138.8062 1946.4264 103.2081 -206498.6251 17923.4874 0.0000 0.0000 34264.8326 -149397.3255 299.2433 -183662.1581 -149299.0092 298.9724 239.7282 272.0248 555704.5876 0.5136 0.4573 PRESSURE: 753400 -108.069 -57.2202 27.1469 -57.2216 -83.6993 3.87717 27.1472 3.87601 165.369 GPRESSURE: 753400 -80.1113 -76.9838 -19.4433 -46.8157 -51.2765 37.0087 -24.5139 8.92481 201.911 PRESSAVG: 753400 -6.08397 -1.30754 -26.9893 -1.30757 9.57674 -37.9952 -26.9893 -37.9951 54.1627 GPRESSAVG: 753400 -5.86853 0.465915 -29.0575 -3.41034 10.1183 -35.5241 -26.6173 -38.9151 53.503 TIMING: 753400 CPU: 2181.51, 0.00291184/step Wall: 2181.51, 0.00291183/step, 3.43483 hours remaining, 207.667969 MB of memory in use. ENERGY: 753400 722.8682 2111.5286 1963.3426 115.0572 -206254.8461 17759.0982 0.0000 0.0000 34074.2896 -149508.6616 297.5792 -183582.9512 -149414.8722 298.3598 -8.7999 23.5077 557113.4540 19.2185 19.2509 PRESSURE: 753600 -271.315 27.4951 40.4127 27.497 -81.6881 -82.7981 40.4126 -82.7978 120.674 GPRESSURE: 753600 -230.887 -12.3655 9.29558 -11.7202 -62.2841 -21.0821 58.6322 -76.1571 141.987 PRESSAVG: 753600 -36.9388 25.5368 -35.718 25.5368 -46.3648 -13.0169 -35.718 -13.0168 51.4805 GPRESSAVG: 753600 -39.0668 25.5636 -33.6122 25.4016 -45.3936 -12.8967 -35.2109 -13.3173 52.086 TIMING: 753600 CPU: 2182.09, 0.00288027/step Wall: 2182.09, 0.00288027/step, 3.39744 hours remaining, 207.667969 MB of memory in use. ENERGY: 753600 714.0897 2069.2668 1938.2544 103.6852 -206309.4720 17757.0644 0.0000 0.0000 34109.5442 -149617.5674 297.8871 -183727.1116 -149524.8282 298.1016 -77.4432 -50.3945 558100.0793 -10.6077 -10.7914 PRESSURE: 753800 68.4418 32.3062 -28.9382 32.3062 131.524 -57.7042 -28.938 -57.7039 -47.3907 GPRESSURE: 753800 53.6569 31.2249 -8.59939 116.6 180.046 -56.6941 -24.1569 -137.464 6.77228 PRESSAVG: 753800 9.73622 29.888 4.98381 29.8881 -35.158 15.6154 4.9838 15.6153 5.05952 GPRESSAVG: 753800 11.6454 29.0477 5.06785 32.1875 -35.0201 13.0425 7.55811 18.7233 3.248 TIMING: 753800 CPU: 2182.67, 0.00291078/step Wall: 2182.67, 0.00291078/step, 3.43327 hours remaining, 207.667969 MB of memory in use. ENERGY: 753800 769.7261 2096.1662 1929.4735 104.3469 -206741.1201 17985.5321 0.0000 0.0000 34129.9713 -149725.9040 298.0655 -183855.8753 -149634.3106 297.5776 50.8583 80.1583 556329.2019 -6.7874 -6.7089 PRESSURE: 754000 58.2307 -103.447 9.12355 -103.446 -37.5361 42.2381 9.12317 42.2368 33.8566 GPRESSURE: 754000 75.2129 -102.386 17.7201 -109.625 -5.62756 14.6731 -2.60562 -25.1551 84.801 PRESSAVG: 754000 -14.6814 -29.9578 -9.76649 -29.9578 -3.29142 46.7292 -9.76654 46.7291 53.1308 GPRESSAVG: 754000 -15.6321 -29.8317 -11.2183 -31.2785 -4.77571 45.9729 -10.4099 44.6009 55.4109 TIMING: 754000 CPU: 2183.25, 0.00290415/step Wall: 2183.25, 0.00290415/step, 3.42529 hours remaining, 207.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 754000 750.6104 2111.3911 1932.9646 107.3470 -206462.9279 17887.8086 0.0000 0.0000 33857.8992 -149814.9070 295.6895 -183672.8062 -149723.3454 297.3969 18.1837 51.4621 555523.4297 11.7193 11.6677 PRESSURE: 754200 -6.39035 -54.1923 -49.3145 -54.1923 -134.361 32.6128 -49.3156 32.6134 -176.531 GPRESSURE: 754200 -26.4786 -48.4701 -21.2907 -10.5279 -103.338 11.2254 14.2949 2.09958 -91.7864 PRESSAVG: 754200 -94.5105 -7.05084 -2.70816 -7.05091 67.429 33.4255 -2.70825 33.4254 -1.18569 GPRESSAVG: 754200 -94.4667 -6.02108 -3.04015 -6.25245 68.4364 33.7402 -4.12551 34.4459 -2.38928 TIMING: 754200 CPU: 2183.83, 0.00291193/step Wall: 2183.83, 0.00291193/step, 3.4343 hours remaining, 207.667969 MB of memory in use. ENERGY: 754200 789.4378 2043.6001 1947.3566 104.5718 -206357.4408 17719.8237 0.0000 0.0000 34076.2619 -149676.3888 297.5965 -183752.6507 -149576.0225 297.4650 -105.7610 -73.8678 556284.8317 -9.4224 -9.4732 PRESSURE: 754400 283.056 135.979 -22.983 135.977 76.2629 0.456445 -22.9827 0.457103 -1.78577 GPRESSURE: 754400 276.165 154.86 -70.2207 155.876 133.709 -61.0148 6.75677 -28.8603 49.1762 PRESSAVG: 754400 -58.4536 -29.4289 9.51889 -29.4289 2.84529 20.666 9.51889 20.6659 48.3451 GPRESSAVG: 754400 -57.432 -29.7501 11.5596 -28.6888 1.10876 22.5554 10.5198 19.5676 49.1146 TIMING: 754400 CPU: 2184.41, 0.00287658/step Wall: 2184.41, 0.00287658/step, 3.39245 hours remaining, 207.667969 MB of memory in use. ENERGY: 754400 762.9367 2046.8220 1948.9777 111.1069 -206703.6722 18041.7784 0.0000 0.0000 33944.5894 -149847.4610 296.4465 -183792.0504 -149750.7898 297.9439 119.1777 153.0168 555302.8157 -2.4211 -2.4029 PRESSURE: 754600 26.486 -44.4388 24.4867 -44.4386 21.5243 -130.896 24.4875 -130.896 262.837 GPRESSURE: 754600 39.3681 -39.4908 16.8333 -23.5839 92.293 -93.3209 7.5948 -116.188 285.483 PRESSAVG: 754600 -2.47607 -22.1144 2.648 -22.1144 35.5289 54.1415 2.64807 54.1415 -53.6485 GPRESSAVG: 754600 -4.18635 -22.0384 2.59093 -22.1808 37.2654 53.3654 2.0283 54.1387 -53.9869 TIMING: 754600 CPU: 2184.99, 0.00291248/step Wall: 2184.99, 0.00291248/step, 3.43462 hours remaining, 207.777344 MB of memory in use. ENERGY: 754600 762.3280 2056.0314 1952.0885 104.9280 -206693.5108 18168.0302 0.0000 0.0000 33960.5362 -149689.5687 296.5858 -183650.1049 -149595.7804 297.6598 103.6157 139.0479 556726.9567 -6.8652 -6.9693 PRESSURE: 754800 -39.8877 -97.7717 279.427 -97.772 -27.369 6.47991 279.427 6.47871 1.38769 GPRESSURE: 754800 9.40182 -128.779 306.495 -72.1173 -39.332 -26.0821 206.376 26.4319 40.8663 PRESSAVG: 754800 8.19651 -1.40974 9.54824 -1.40972 -31.3585 14.1451 9.54822 14.145 17.7205 GPRESSAVG: 754800 8.34026 -1.06198 9.73257 -1.63257 -31.8252 13.2647 7.77787 14.8757 17.5007 TIMING: 754800 CPU: 2185.57, 0.00292484/step Wall: 2185.57, 0.00292484/step, 3.44904 hours remaining, 207.777344 MB of memory in use. ENERGY: 754800 772.4430 2142.1984 1931.6541 106.7945 -206480.6367 17822.0121 0.0000 0.0000 34028.3577 -149677.1768 297.1781 -183705.5346 -149588.0782 298.0354 -21.9563 3.6454 556668.9314 -1.8138 -1.9947 PRESSURE: 755000 111.413 13.1018 42.5724 13.1021 -57.8334 91.6103 42.5711 91.6102 -219.979 GPRESSURE: 755000 125.488 -2.33801 -79.994 -10.1531 -42.0709 23.7332 171.825 29.3585 -168.33 PRESSAVG: 755000 23.2525 22.5917 4.25311 22.5917 -9.88771 5.48014 4.25305 5.48014 -2.05444 GPRESSAVG: 755000 23.3524 21.6441 3.63594 22.4676 -9.94556 4.83029 6.87864 6.84585 -1.70249 TIMING: 755000 CPU: 2186.16, 0.00291366/step Wall: 2186.16, 0.00291366/step, 3.43569 hours remaining, 207.777344 MB of memory in use. ENERGY: 755000 723.6256 2115.7182 1929.3003 118.9643 -206513.1527 17757.1522 0.0000 0.0000 34314.0117 -149554.3804 299.6728 -183868.3922 -149458.0361 298.0838 -55.4664 -28.3044 558091.2148 3.7701 3.9014 PRESSURE: 755200 -41.1992 126.619 -28.0538 126.62 168.081 28.0122 -28.0548 28.0126 44.752 GPRESSURE: 755200 53.7899 145.105 -30.4676 119.034 178.75 -82.2103 -51.2193 122.402 23.4922 PRESSAVG: 755200 -1.21951 20.9448 -23.8602 20.9448 61.6068 11.672 -23.8602 11.672 -42.7787 GPRESSAVG: 755200 -0.438369 21.1009 -25.6755 21.5762 61.407 11.0085 -25.2985 11.1853 -43.7158 TIMING: 755200 CPU: 2186.73, 0.0028901/step Wall: 2186.73, 0.0028901/step, 3.40775 hours remaining, 207.777344 MB of memory in use. ENERGY: 755200 707.0712 2106.1526 1929.5920 116.8048 -206666.8058 17804.4326 0.0000 0.0000 34447.8337 -149554.9190 300.8415 -184002.7527 -149454.9224 298.2699 57.2112 85.3441 556893.7535 5.8695 5.7509 PRESSURE: 755400 91.7119 -79.6503 101.53 -79.6501 -44.8956 -5.06306 101.53 -5.06326 154.539 GPRESSURE: 755400 81.7817 -94.4111 -2.0539 -51.4109 -17.6668 18.4315 111.689 93.5722 232.643 PRESSAVG: 755400 -56.5122 22.6633 -3.57113 22.6633 -4.76562 46.1629 -3.57106 46.163 71.4561 GPRESSAVG: 755400 -57.9375 22.9717 -3.00744 20.8907 -5.10207 46.4655 -4.38562 46.6388 73.0975 TIMING: 755400 CPU: 2187.32, 0.00290739/step Wall: 2187.32, 0.00290739/step, 3.42798 hours remaining, 207.777344 MB of memory in use. ENERGY: 755400 725.1329 2070.7810 1924.7026 110.3253 -206319.9214 17878.5262 0.0000 0.0000 34030.4989 -149579.9544 297.1968 -183610.4533 -149483.1324 298.6442 67.1183 98.9191 556649.8933 3.3927 3.3526 PRESSURE: 755600 -36.9767 200.819 -72.0221 200.818 -162.845 -139.067 -72.0224 -139.066 92.0685 GPRESSURE: 755600 -1.27828 190.057 -102.731 165.946 -92.1154 -147.634 -10.7067 -208.623 89.3102 PRESSAVG: 755600 -33.545 -25.4449 -27.9912 -25.4449 18.7998 -35.3183 -27.9911 -35.3181 -24.4112 GPRESSAVG: 755600 -34.1102 -24.9073 -26.4304 -25.342 20.0689 -33.632 -27.8901 -35.5285 -24.9693 TIMING: 755600 CPU: 2187.9, 0.0029171/step Wall: 2187.9, 0.0029171/step, 3.43926 hours remaining, 207.777344 MB of memory in use. ENERGY: 755600 769.3162 2119.2597 1903.4109 109.2709 -206510.4960 17985.0714 0.0000 0.0000 34227.8980 -149396.2689 298.9207 -183624.1669 -149299.7201 298.3111 -35.9179 -1.3612 558350.8330 -13.0521 -13.0036 PRESSURE: 755800 -161.735 -30.3892 -6.17926 -30.3903 -55.2995 77.1802 -6.17891 77.1786 -357.918 GPRESSURE: 755800 -67.2249 -10.7424 14.3029 -31.9321 -37.3234 59.8164 -50.1712 -29.2354 -362.107 PRESSAVG: 755800 17.4742 -10.3971 -2.11314 -10.3971 -15.7026 41.6963 -2.11316 41.6963 -34.4287 GPRESSAVG: 755800 17.1731 -10.46 -1.47196 -10.2997 -16.2096 40.0922 -3.81473 41.2497 -34.6111 TIMING: 755800 CPU: 2188.49, 0.00294194/step Wall: 2188.49, 0.00294194/step, 3.46838 hours remaining, 207.777344 MB of memory in use. ENERGY: 755800 728.1814 2138.8737 1930.9565 114.3845 -205940.7781 17515.2078 0.0000 0.0000 34257.0448 -149256.1293 299.1753 -183513.1741 -149156.6178 299.0635 -191.6508 -155.5517 558375.8521 -10.8857 -11.2159 PRESSURE: 756000 -167.448 -92.786 60.9656 -92.7876 293.92 -44.6694 60.9658 -44.6665 167.492 GPRESSURE: 756000 -125.558 -95.4969 32.5404 -45.5574 358.065 -3.46419 -2.5894 -80.3056 148.167 PRESSAVG: 756000 -12.5086 -9.67321 -7.97218 -9.67322 -19.2186 14.2188 -7.97221 14.2188 40.4626 GPRESSAVG: 756000 -12.852 -13.1274 -10.0978 -8.32231 -18.746 15.3281 -5.73555 13.7214 40.1684 TIMING: 756000 CPU: 2189.07, 0.0029219/step Wall: 2189.07, 0.0029219/step, 3.4446 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 756000 763.4533 2067.0910 1935.8085 124.2204 -206527.7626 17971.1080 0.0000 0.0000 34371.9531 -149294.1285 300.1788 -183666.0816 -149193.4431 299.3081 97.9877 126.8915 556712.9947 2.9118 2.8568 PRESSURE: 756200 45.124 79.0639 -69.6339 79.064 51.0571 -118.119 -69.6341 -118.121 138.241 GPRESSURE: 756200 87.917 64.7259 -16.6398 108.912 85.2556 -139.568 -56.7871 -112.397 159.231 PRESSAVG: 756200 -20.9267 -18.9304 -13.7662 -18.9304 11.4457 -67.2439 -13.7662 -67.244 15.4107 GPRESSAVG: 756200 -19.9016 -15.1146 -12.998 -20.3323 10.0285 -67.4807 -14.6908 -66.8715 16.1587 TIMING: 756200 CPU: 2189.66, 0.00293505/step Wall: 2189.66, 0.00293505/step, 3.45994 hours remaining, 207.777344 MB of memory in use. ENERGY: 756200 711.1156 2035.9185 1966.2645 107.7000 -206750.9594 18139.4157 0.0000 0.0000 34498.5937 -149291.9513 301.2848 -183790.5450 -149206.6923 299.4101 78.1408 110.8011 557079.2196 1.9766 2.0952 LDB: ============= START OF LOAD BALANCING ============== 2193.05 LDB: ============== END OF LOAD BALANCING =============== 2193.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2193.05 LDB: ============= START OF LOAD BALANCING ============== 2193.34 LDB: Largest compute 4820 load 0.027176 is 23.1% of average load 0.117784 LDB: Average compute 0.001716 is 1.5% of average load 0.117784 LDB: TIME 2193.34 LOAD: AVG 0.117784 MAX 0.186175 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.797 MB LDB: TIME 2193.34 LOAD: AVG 0.117784 MAX 0.186175 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: TIME 2193.34 LOAD: AVG 0.117784 MAX 0.186175 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2193.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2193.35 PRESSURE: 756400 57.47 -90.4169 -46.1272 -90.4156 63.0901 -85.1116 -46.1257 -85.1105 359.195 GPRESSURE: 756400 54.7953 -50.5082 -51.123 -115.292 161.933 65.9321 -39.1002 -63.3297 348.073 PRESSAVG: 756400 48.4985 32.5347 7.35221 32.5348 0.578302 -44.9506 7.35218 -44.9507 1.09396 GPRESSAVG: 756400 48.2498 31.3897 6.53073 31.7294 1.91608 -41.9435 8.17103 -46.4442 -0.0719482 TIMING: 756400 CPU: 2190.25, 0.00297817/step Wall: 2190.25, 0.00297817/step, 3.5106 hours remaining, 207.531250 MB of memory in use. ENERGY: 756400 742.1413 2043.8057 1969.6292 118.9325 -206574.1649 18081.2169 0.0000 0.0000 34439.2112 -149179.2282 300.7662 -183618.4394 -149087.2157 299.5698 159.9184 188.2672 557227.5036 16.7236 16.6980 PRESSURE: 756600 -96.0159 15.0117 -142.564 15.0116 -100.649 -35.1806 -142.564 -35.1809 85.1768 GPRESSURE: 756600 -49.6542 58.7232 -89.2486 5.91466 -81.1232 -69.7679 -146.616 -121.681 123.135 PRESSAVG: 756600 -6.45516 26.9104 -27.1002 26.9103 -53.2593 0.207941 -27.1002 0.207949 34.15 GPRESSAVG: 756600 -6.90779 27.4205 -26.3815 28.0962 -53.3544 -2.80805 -26.4709 -0.0261172 34.3907 TIMING: 756600 CPU: 2190.84, 0.00290895/step Wall: 2190.84, 0.00290896/step, 3.42885 hours remaining, 207.531250 MB of memory in use. ENERGY: 756600 754.5227 2107.0889 1922.7779 118.8972 -205835.2822 17630.6547 0.0000 0.0000 34252.2433 -149049.0977 299.1334 -183301.3409 -148949.5428 299.9316 -37.1626 -2.5474 557027.1759 -8.5215 -8.6238 PRESSURE: 756800 33.4807 37.6193 -19.7049 37.6185 -118.014 32.158 -19.7049 32.1571 -144.39 GPRESSURE: 756800 135.941 17.6827 36.6824 26.3587 -112.908 -48.8342 -13.3684 72.7109 -152.897 PRESSAVG: 756800 36.3998 -12.1362 -45.9895 -12.1361 -42.0484 9.29649 -45.9895 9.29633 -6.79582 GPRESSAVG: 756800 38.1186 -12.6235 -44.8295 -10.5742 -42.7365 8.52336 -48.0324 12.5812 -7.39389 TIMING: 756800 CPU: 2191.41, 0.00288718/step Wall: 2191.41, 0.00288718/step, 3.40302 hours remaining, 207.531250 MB of memory in use. ENERGY: 756800 728.6917 2092.8500 1967.3417 124.3235 -205821.8092 17522.3680 0.0000 0.0000 34211.2734 -149174.9609 298.7756 -183386.2343 -149080.2103 300.1417 -76.3076 -43.2881 557547.7114 -4.1482 -4.0039 PRESSURE: 757000 -423.206 30.187 -26.3822 30.1869 -252.619 -18.3877 -26.3814 -18.3884 197.347 GPRESSURE: 757000 -338.701 42.7055 -57.3555 0.798312 -243.067 -69.8794 -20.4106 16.734 194.63 PRESSAVG: 757000 18.34 -20.11 13.0995 -20.1101 -46.0071 19.0896 13.0995 19.0896 36.803 GPRESSAVG: 757000 16.7962 -19.9673 12.623 -21.3942 -44.9423 19.114 12.9429 17.5325 36.2884 TIMING: 757000 CPU: 2191.99, 0.00287582/step Wall: 2191.99, 0.00287582/step, 3.38947 hours remaining, 207.531250 MB of memory in use. ENERGY: 757000 767.9422 2088.7328 1935.4115 108.9148 -206137.7822 17643.5628 0.0000 0.0000 34345.0366 -149248.1816 299.9437 -183593.2182 -149155.3376 299.9301 -159.4924 -129.0460 557459.5355 3.0453 2.7141 PRESSURE: 757200 -181.57 174.799 20.3096 174.799 -30.7951 -44.3559 20.3102 -44.3542 -160.242 GPRESSURE: 757200 -179.597 118.286 -1.06856 138.856 38.2266 -173.059 64.9349 51.9521 -141.855 PRESSAVG: 757200 -26.9145 35.4497 -0.656982 35.4496 -59.4723 -61.1002 -0.657034 -61.1001 61.0712 GPRESSAVG: 757200 -28.358 36.5515 -1.0371 35.5932 -60.8887 -61.1956 0.633836 -60.1464 63.3955 TIMING: 757200 CPU: 2192.57, 0.00288681/step Wall: 2192.57, 0.00288681/step, 3.40227 hours remaining, 207.531250 MB of memory in use. ENERGY: 757200 749.5035 2069.0755 1954.0314 116.9355 -206256.5404 17609.4022 0.0000 0.0000 34495.5797 -149262.0127 301.2585 -183757.5924 -149161.1157 299.5031 -124.2022 -94.4085 556848.0552 -8.4385 -8.6171 PRESSURE: 757400 33.4761 -11.2492 46.4315 -11.2477 163.519 65.4135 46.4327 65.4123 13.1391 GPRESSURE: 757400 69.9051 -52.7821 -27.8253 -9.7113 185.186 95.7577 58.1259 5.85388 36.4411 PRESSAVG: 757400 -4.60417 -13.7432 -10.8008 -13.7432 42.0923 23.8621 -10.8007 23.8621 -46.529 GPRESSAVG: 757400 -4.0011 -15.2219 -10.0573 -14.6551 42.5074 24.0152 -11.8616 24.0405 -47.7177 TIMING: 757400 CPU: 2193.15, 0.00291317/step Wall: 2193.15, 0.00291317/step, 3.43317 hours remaining, 207.531250 MB of memory in use. ENERGY: 757400 750.9939 2077.1880 1954.4427 127.1451 -206313.4510 18031.9488 0.0000 0.0000 34361.9635 -149009.7690 300.0916 -183371.7326 -148919.0581 299.8653 70.0447 97.1775 556870.1899 -3.0136 -3.0705 PRESSURE: 757600 -239.913 162.012 -7.56221 162.01 -116.802 64.178 -7.56336 64.1785 -405.998 GPRESSURE: 757600 -217.521 182.464 7.65675 75.8565 -145.451 82.2737 52.2316 99.1645 -307.467 PRESSAVG: 757600 17.761 23.4439 21.6817 23.4438 -11.9165 -20.5928 21.6817 -20.5928 -3.93566 GPRESSAVG: 757600 18.003 24.6541 22.4553 22.6743 -11.581 -18.7169 23.7656 -23.6206 -4.26518 TIMING: 757600 CPU: 2193.73, 0.0028939/step Wall: 2193.73, 0.0028939/step, 3.4103 hours remaining, 207.531250 MB of memory in use. ENERGY: 757600 762.8409 2065.9532 1954.9892 111.1353 -205743.1557 17331.2474 0.0000 0.0000 34402.1807 -149114.8092 300.4428 -183516.9898 -149010.8191 299.1352 -254.2376 -223.4794 558314.7560 0.6363 0.7189 PRESSURE: 757800 134.228 70.4995 -145.584 70.4992 116.581 -212.946 -145.583 -212.947 -30.2162 GPRESSURE: 757800 173.019 145.056 -167.14 -0.999328 93.5263 -165.715 -47.4854 -193.457 51.6655 PRESSAVG: 757800 24.1039 29.4192 6.37432 29.4192 -7.25066 41.6252 6.37437 41.6252 45.1883 GPRESSAVG: 757800 23.598 28.2451 6.872 30.5418 -8.00796 41.1288 5.26987 42.4317 47.083 TIMING: 757800 CPU: 2194.31, 0.00290459/step Wall: 2194.31, 0.00290458/step, 3.42273 hours remaining, 207.531250 MB of memory in use. ENERGY: 757800 748.1068 2115.3894 1958.7940 104.6428 -206320.5649 17962.2724 0.0000 0.0000 34299.8663 -149131.4933 299.5493 -183431.3596 -149044.7931 299.5464 73.5309 106.0701 559293.9062 20.6805 20.8910 PRESSURE: 758000 -378.038 -102.349 -58.9106 -102.348 77.6994 -101.808 -58.9089 -101.809 -110.849 GPRESSURE: 758000 -303.563 -122.552 -63.8173 -67.4693 140.362 -174.685 -103.779 -3.20879 -137.962 PRESSAVG: 758000 54.5062 6.47751 -32.2289 6.47759 -14.4677 -27.893 -32.2289 -27.893 -57.9468 GPRESSAVG: 758000 55.0534 8.42397 -33.6458 4.53823 -13.3773 -29.5059 -31.766 -26.0337 -59.4048 TIMING: 758000 CPU: 2194.89, 0.00290075/step Wall: 2194.89, 0.00290075/step, 3.41805 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 758000 745.5503 2073.0971 1938.8311 119.5920 -206041.7823 17717.9098 0.0000 0.0000 34201.3293 -149245.4727 298.6887 -183446.8020 -149147.7598 299.2227 -137.0624 -100.3876 559311.4197 -5.9694 -5.9096 PRESSURE: 758200 -372.295 -46.6179 -38.0661 -46.6181 183.649 -45.9243 -38.0663 -45.9255 50.4294 GPRESSURE: 758200 -282.294 -41.155 -44.7203 -55.551 178.987 21.8834 25.5317 -101.753 55.4873 PRESSAVG: 758200 -13.3847 -37.4445 -3.29432 -37.4446 -10.1529 7.49297 -3.29439 7.49302 11.2142 GPRESSAVG: 758200 -12.6795 -39.4731 -3.39258 -34.4014 -10.5401 8.81876 -4.60054 6.11045 11.1639 TIMING: 758200 CPU: 2195.47, 0.00288442/step Wall: 2195.47, 0.00288441/step, 3.39864 hours remaining, 207.531250 MB of memory in use. ENERGY: 758200 758.3428 2100.2259 1947.6909 118.0901 -206145.2671 17795.0615 0.0000 0.0000 34158.5937 -149267.2621 298.3155 -183425.8559 -149167.1507 299.5486 -46.0723 -15.9397 558885.6112 -4.1078 -4.0186 PRESSURE: 758400 66.2484 24.152 103.173 24.1523 -99.9855 168.976 103.174 168.976 51.0861 GPRESSURE: 758400 90.3647 24.4091 75.6424 2.22479 -60.7652 155.948 108.05 153.95 76.6378 PRESSAVG: 758400 15.5822 -38.3102 -2.98134 -38.3103 4.45317 21.2652 -2.98133 21.2652 4.55736 GPRESSAVG: 758400 15.5283 -36.9577 -2.72119 -39.6856 4.38436 20.3468 -2.40055 20.8866 4.39093 TIMING: 758400 CPU: 2196.04, 0.00288306/step Wall: 2196.04, 0.00288306/step, 3.39689 hours remaining, 207.531250 MB of memory in use. ENERGY: 758400 710.5902 2115.4463 1955.1043 138.2192 -206412.1345 17940.1708 0.0000 0.0000 34373.9189 -149178.6849 300.1960 -183552.6038 -149084.1156 299.3098 5.7830 35.4124 558715.6288 8.1976 8.1012 PRESSURE: 758600 133.126 -78.2218 -38.2311 -78.2227 -40.1401 -65.3674 -38.2317 -65.3685 57.934 GPRESSURE: 758600 101.531 40.1477 -74.1671 -70.0875 -1.51354 -36.7987 0.89204 -114.108 145.754 PRESSAVG: 758600 10.994 62.2014 41.9542 62.2014 59.541 -26.1907 41.9542 -26.1907 -43.6098 GPRESSAVG: 758600 10.9159 63.133 41.5405 63.2752 58.9126 -27.2594 41.7098 -26.9359 -43.1728 TIMING: 758600 CPU: 2196.62, 0.002908/step Wall: 2196.62, 0.002908/step, 3.4261 hours remaining, 207.531250 MB of memory in use. ENERGY: 758600 727.3994 2153.8166 1943.6219 112.0721 -206140.8876 17873.5261 0.0000 0.0000 34311.6320 -149018.8197 299.6520 -183330.4516 -148918.3367 300.3211 50.3068 81.9238 557404.8130 8.9751 8.8852 PRESSURE: 758800 -437.795 -32.1119 41.4475 -32.1102 186.441 -3.94934 41.4473 -3.94813 112.801 GPRESSURE: 758800 -320.504 25.1234 98.0537 -79.9572 209.065 34.6824 -65.7304 -6.36038 76.7856 PRESSAVG: 758800 -37.197 5.42161 26.055 5.42167 2.4465 -21.5419 26.0551 -21.5419 13.138 GPRESSAVG: 758800 -37.5979 4.91433 25.4964 5.7333 2.55558 -18.9635 26.7676 -22.2454 12.952 TIMING: 758800 CPU: 2197.21, 0.00290727/step Wall: 2197.21, 0.00290727/step, 3.42508 hours remaining, 207.531250 MB of memory in use. ENERGY: 758800 735.7447 2096.0929 1953.1148 119.9789 -205865.8795 17639.4604 0.0000 0.0000 34312.0288 -149009.4591 299.6555 -183321.4880 -148918.2822 299.7751 -46.1842 -11.5514 557894.8363 -7.2042 -7.3634 PRESSURE: 759000 42.5295 -24.3839 -24.0608 -24.3841 -2.31749 -47.1895 -24.0625 -47.1879 168.953 GPRESSURE: 759000 49.8692 -7.71605 -13.2441 13.1698 27.3337 -54.672 -31.1123 -83.954 229.88 PRESSAVG: 759000 -79.3978 12.0094 -13.7231 12.0094 -20.5039 -62.658 -13.7232 -62.658 134.153 GPRESSAVG: 759000 -80.585 8.05165 -13.4102 13.6637 -20.7283 -61.9594 -15.6526 -63.423 135.082 TIMING: 759000 CPU: 2197.79, 0.00291129/step Wall: 2197.79, 0.00291129/step, 3.42966 hours remaining, 207.531250 MB of memory in use. ENERGY: 759000 702.3250 2181.1918 1958.7364 120.1532 -206325.6900 18011.0673 0.0000 0.0000 34146.5834 -149205.6330 298.2106 -183352.2164 -149107.5199 299.0219 69.7215 102.3609 557694.9113 11.4171 11.2562 PRESSURE: 759200 88.1949 81.5257 -90.7113 81.5264 -18.2308 54.3565 -90.7124 54.3551 -18.9128 GPRESSURE: 759200 104.795 77.7844 -34.0594 48.5812 -32.52 105.399 -160.743 31.2335 59.7606 PRESSAVG: 759200 -43.4281 14.3492 -32.3214 14.3491 3.01852 -40.5178 -32.3215 -40.5178 56.3174 GPRESSAVG: 759200 -44.025 17.3818 -30.8675 11.4517 3.74869 -43.7199 -31.1239 -36.0204 56.3907 TIMING: 759200 CPU: 2198.37, 0.00289324/step Wall: 2198.37, 0.00289324/step, 3.40824 hours remaining, 207.531250 MB of memory in use. ENERGY: 759200 756.7816 2113.0535 1959.6585 97.2700 -206141.3314 17922.5437 0.0000 0.0000 34198.0271 -149093.9970 298.6599 -183292.0241 -148998.9483 299.2262 17.0171 44.0118 557754.9770 5.3026 5.3715 PRESSURE: 759400 -188.668 -147.675 -37.1531 -147.675 25.4767 11.865 -37.1535 11.8662 87.0154 GPRESSURE: 759400 -115.335 -105.743 37.6506 -103.756 14.2059 28.0543 -35.6 -5.70589 105.142 PRESSAVG: 759400 -43.3633 -45.3337 -19.8342 -45.3337 -22.3833 -27.2858 -19.8341 -27.2858 39.9782 GPRESSAVG: 759400 -42.5159 -45.0051 -21.0501 -44.2997 -23.9201 -26.0234 -19.8544 -28.1513 40.0892 TIMING: 759400 CPU: 2198.95, 0.00292621/step Wall: 2198.95, 0.00292621/step, 3.44691 hours remaining, 207.531250 MB of memory in use. ENERGY: 759400 722.5388 2094.1439 1955.0068 115.7055 -206012.4500 17781.5838 0.0000 0.0000 34068.9884 -149274.4827 297.5329 -183343.4711 -149182.5783 299.3231 -25.3918 1.3377 558832.3056 -8.5895 -8.7823 PRESSURE: 759600 -147.888 -9.36678 223.454 -9.36539 -100.029 -28.9015 223.454 -28.9015 -126.366 GPRESSURE: 759600 -15.6846 -36.4299 212.377 39.2835 -153.357 -49.0627 191.777 39.9585 -101.037 PRESSAVG: 759600 -29.3703 -11.5501 2.10777 -11.5501 48.0031 -58.1025 2.1078 -58.1025 14.0648 GPRESSAVG: 759600 -28.1167 -14.7228 2.21197 -10.9123 48.9389 -58.8796 2.36831 -60.2713 11.5879 TIMING: 759600 CPU: 2199.53, 0.00291189/step Wall: 2199.53, 0.00291189/step, 3.42989 hours remaining, 207.531250 MB of memory in use. ENERGY: 759600 756.5777 2091.9699 1949.7249 114.2305 -206003.2347 17562.3551 0.0000 0.0000 34113.6493 -149414.7273 297.9230 -183528.3766 -149302.7722 298.9634 -124.7608 -90.0262 556054.0917 10.8992 10.8034 PRESSURE: 759800 16.3369 -55.2411 43.0436 -55.2404 -76.5462 -40.9733 43.0421 -40.9734 12.1784 GPRESSURE: 759800 86.2749 62.3443 46.491 -46.2434 -106.302 -41.5291 44.3528 -61.0293 65.2617 PRESSAVG: 759800 4.56258 -5.69141 2.57023 -5.69137 -16.8196 -47.0352 2.57015 -47.0352 22.2886 GPRESSAVG: 759800 3.56074 -3.42558 3.90706 -5.51625 -15.7414 -46.4722 2.10938 -46.0524 22.3464 TIMING: 759800 CPU: 2200.11, 0.00290007/step Wall: 2200.11, 0.00290007/step, 3.4158 hours remaining, 207.531250 MB of memory in use. ENERGY: 759800 740.5781 2053.9041 1971.0145 114.6000 -205808.3906 17624.1821 0.0000 0.0000 34300.7347 -149003.3771 299.5568 -183304.1118 -148911.3908 299.3186 -16.0103 15.0782 558119.3157 3.3439 3.3886 PRESSURE: 760000 -186.576 27.4379 -66.055 27.4387 -5.62575 -175.667 -66.0556 -175.667 -22.5208 GPRESSURE: 760000 -174.642 41.3597 -56.8482 53.8968 87.6767 -51.7373 -31.4111 -114.608 -39.5222 PRESSAVG: 760000 -20.5781 6.88948 -7.67601 6.88939 -45.5762 -26.5539 -7.67596 -26.5538 88.7548 GPRESSAVG: 760000 -19.5871 9.5627 -6.75937 4.53694 -47.0934 -25.9549 -8.89369 -27.1435 89.3047 TIMING: 760000 CPU: 2200.7, 0.00292246/step Wall: 2200.7, 0.00292246/step, 3.44201 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 760000 781.2466 2131.6948 1966.8819 120.2923 -206218.0871 17697.1075 0.0000 0.0000 34496.0750 -149024.7891 301.2628 -183520.8641 -148932.4685 299.9943 -71.5742 -42.1626 557401.9130 7.5335 7.5414 PRESSURE: 760200 -106.168 44.1183 57.1284 44.1181 2.96947 5.22461 57.1278 5.22414 210.297 GPRESSURE: 760200 -86.7696 76.0748 -70.5676 47.4651 52.7478 -0.43554 79.4581 -34.9023 244.301 PRESSAVG: 760200 -22.0213 -8.55861 19.014 -8.55854 -22.4008 -26.7981 19.0141 -26.7981 18.0394 GPRESSAVG: 760200 -22.9301 -11.714 18.8517 -7.00266 -22.0463 -25.4034 19.3307 -25.1926 18.7313 TIMING: 760200 CPU: 2201.28, 0.00292965/step Wall: 2201.28, 0.00292965/step, 3.45031 hours remaining, 207.531250 MB of memory in use. ENERGY: 760200 779.1142 2142.4648 1928.8758 119.9231 -206157.5556 17951.7402 0.0000 0.0000 34174.9035 -149060.5340 298.4579 -183235.4375 -148963.0510 299.9488 35.6995 70.0931 556754.1543 -8.7942 -8.7483 LDB: ============= START OF LOAD BALANCING ============== 2204.67 LDB: ============== END OF LOAD BALANCING =============== 2204.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2204.67 LDB: ============= START OF LOAD BALANCING ============== 2204.97 LDB: Largest compute 4820 load 0.028317 is 24.0% of average load 0.117860 LDB: Average compute 0.001728 is 1.5% of average load 0.117860 LDB: TIME 2204.97 LOAD: AVG 0.11786 MAX 0.187285 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.562 MB LDB: TIME 2204.97 LOAD: AVG 0.11786 MAX 0.187285 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: TIME 2204.97 LOAD: AVG 0.11786 MAX 0.187285 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: ============== END OF LOAD BALANCING =============== 2204.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2204.97 PRESSURE: 760400 -126.937 22.0156 144.681 22.0155 -71.2398 -100.798 144.68 -100.799 -349.458 GPRESSURE: 760400 -61.986 69.1084 145.172 2.01074 -105.185 -79.6606 152.102 -177.517 -291.927 PRESSAVG: 760400 -5.67528 31.222 9.22365 31.222 16.5261 -23.1258 9.22371 -23.1259 1.54517 GPRESSAVG: 760400 -5.75875 32.5385 10.3663 32.4301 16.536 -24.8057 9.32438 -25.1495 1.77464 TIMING: 760400 CPU: 2201.88, 0.00297063/step Wall: 2201.88, 0.00297063/step, 3.49841 hours remaining, 206.304688 MB of memory in use. ENERGY: 760400 740.0770 2098.2031 1945.5838 111.7348 -205904.9043 17446.6208 0.0000 0.0000 34402.5883 -149160.0965 300.4464 -183562.6848 -149058.0588 300.4098 -182.5450 -153.0327 558164.0291 4.1320 4.1840 PRESSURE: 760600 -326.139 93.0943 80.1631 93.0951 82.6436 -115.901 80.1629 -115.899 11.5639 GPRESSURE: 760600 -240.133 98.4837 4.00716 101.589 88.581 -64.8855 108.2 -65.3194 20.2848 PRESSAVG: 760600 -9.14928 -21.4542 21.601 -21.4543 -1.82736 -42.9846 21.6011 -42.9848 3.90242 GPRESSAVG: 760600 -8.70977 -22.464 20.0216 -21.8461 -1.02494 -42.9792 22.1096 -41.0502 2.69582 TIMING: 760600 CPU: 2202.46, 0.00291846/step Wall: 2202.46, 0.00291846/step, 3.43681 hours remaining, 206.304688 MB of memory in use. ENERGY: 760600 765.6642 2100.0213 1925.9442 109.2650 -206132.8116 17696.4285 0.0000 0.0000 34299.9360 -149235.5523 299.5499 -183535.4884 -149139.2785 299.9073 -77.3104 -43.7556 557016.7062 -2.3581 -2.3463 PRESSURE: 760800 -151.297 10.1122 -10.4152 10.1124 -167.051 -97.7859 -10.4141 -97.7849 -212.791 GPRESSURE: 760800 -115.791 11.0365 14.1359 -64.6513 -139.901 -117.473 -46.5596 -64.7625 -173.132 PRESSAVG: 760800 19.2046 -1.72822 -35.6548 -1.7282 -57.861 -17.1812 -35.6549 -17.1812 39.2743 GPRESSAVG: 760800 20.0176 -3.18575 -36.0009 -0.996904 -59.1863 -16.8366 -36.1414 -17.2708 39.8209 TIMING: 760800 CPU: 2203.05, 0.00291618/step Wall: 2203.05, 0.00291618/step, 3.43397 hours remaining, 206.304688 MB of memory in use. ENERGY: 760800 799.9367 2115.4534 1948.3305 103.4478 -205914.2186 17481.0229 0.0000 0.0000 34232.1443 -149233.8830 298.9578 -183466.0273 -149133.8105 299.4572 -177.0464 -142.9413 557187.6301 0.2059 0.2174 PRESSURE: 761000 -436.676 -12.3862 57.5699 -12.3859 -142 -65.9748 57.5686 -65.9739 -137.778 GPRESSURE: 761000 -347.187 24.7777 15.4169 -61.2126 -134.342 -106.715 128.408 -10.3656 -138.897 PRESSAVG: 761000 43.4391 5.63695 -0.359616 5.63688 -21.5899 -25.2906 -0.359595 -25.2906 -41.0141 GPRESSAVG: 761000 43.0692 7.08068 0.303131 4.93698 -21.2464 -25.6291 0.539317 -26.6372 -41.315 TIMING: 761000 CPU: 2203.63, 0.00292127/step Wall: 2203.63, 0.00292127/step, 3.4398 hours remaining, 206.304688 MB of memory in use. ENERGY: 761000 726.2489 2106.1706 1932.7951 120.3632 -206145.8265 17618.7288 0.0000 0.0000 34322.6994 -149318.8205 299.7487 -183641.5199 -149216.0853 298.9483 -238.8180 -206.8087 557789.4137 -6.3883 -6.4974 PRESSURE: 761200 -137.364 -0.0945423 28.3623 -0.0939765 93.4169 -21.2423 28.3621 -21.2427 -69.7456 GPRESSURE: 761200 -146.174 28.5102 31.0315 8.39328 148.026 3.9438 3.85915 -31.7532 -8.47596 PRESSAVG: 761200 -27.9068 -3.41937 -9.18865 -3.41941 -11.3381 -6.52386 -9.18865 -6.52389 20.1386 GPRESSAVG: 761200 -28.1278 -3.49913 -9.40766 -2.93275 -10.6974 -4.87589 -8.48467 -7.96071 19.9655 TIMING: 761200 CPU: 2204.22, 0.00292602/step Wall: 2204.22, 0.00292602/step, 3.44522 hours remaining, 206.304688 MB of memory in use. ENERGY: 761200 729.3450 2171.0509 1929.5159 117.3740 -206038.2912 17806.2043 0.0000 0.0000 34137.0507 -149147.7504 298.1274 -183284.8011 -149046.6066 299.1365 -37.8977 -2.2078 558170.0322 -6.3688 -6.2866 PRESSURE: 761400 -61.669 -220.044 -103.855 -220.045 -63.6847 13.7364 -103.854 13.7372 50.824 GPRESSURE: 761400 -17.7581 -220.113 -93.6437 -197.622 -54.1086 -8.61305 -121.595 21.89 99.6167 PRESSAVG: 761400 -65.1178 15.2583 -34.7908 15.2582 29.0726 22.5069 -34.7908 22.5069 30.7012 GPRESSAVG: 761400 -66.8707 13.5048 -35.9552 14.9876 30.332 19.6561 -34.292 26.2537 31.3747 TIMING: 761400 CPU: 2204.79, 0.00288483/step Wall: 2204.79, 0.00288483/step, 3.39657 hours remaining, 206.304688 MB of memory in use. ENERGY: 761400 792.9831 2097.7546 1949.9748 120.6048 -206154.8125 17982.6834 0.0000 0.0000 34208.7752 -149002.0366 298.7537 -183210.8118 -148911.0260 299.6712 -24.8432 9.2500 557631.9130 -1.7813 -1.7213 PRESSURE: 761600 -63.814 -50.225 102.239 -50.2247 132.031 -17.7189 102.239 -17.7201 10.1249 GPRESSURE: 761600 -11.5684 -105.965 140.441 1.19534 169.386 -79.5402 196.863 34.264 20.7028 PRESSAVG: 761600 -18.9983 -8.65092 -2.9608 -8.65095 17.9831 7.16124 -2.96074 7.16126 2.34716 GPRESSAVG: 761600 -17.1604 -7.48737 -0.958285 -9.97007 16.8729 10.0152 -3.99922 5.88744 1.59052 TIMING: 761600 CPU: 2205.38, 0.0029214/step Wall: 2205.38, 0.0029214/step, 3.43946 hours remaining, 206.304688 MB of memory in use. ENERGY: 761600 740.8847 2158.6798 1916.5713 104.2974 -205687.2706 17563.2221 0.0000 0.0000 34137.8308 -149065.7846 298.1342 -183203.6154 -148964.1526 299.8487 26.1139 59.5067 555920.9344 0.4440 0.4343 PRESSURE: 761800 -211.302 -104.717 73.9275 -104.717 -212.261 24.4108 73.9267 24.4111 122.635 GPRESSURE: 761800 -176.986 -143.379 59.5121 -84.8864 -143.36 1.29858 62.2642 34.3727 117.046 PRESSAVG: 761800 2.32822 -48.5324 -33.8606 -48.5323 28.0745 -5.76237 -33.8605 -5.76239 -6.53591 GPRESSAVG: 761800 1.27561 -48.029 -35.8268 -48.1535 28.5517 -5.51513 -33.4348 -6.14478 -5.55531 TIMING: 761800 CPU: 2205.96, 0.00289689/step Wall: 2205.96, 0.00289689/step, 3.41044 hours remaining, 206.304688 MB of memory in use. ENERGY: 761800 781.3987 2063.9838 1900.5884 105.5631 -206028.0680 17626.0465 0.0000 0.0000 34330.6343 -149219.8532 299.8180 -183550.4875 -149123.7880 299.3509 -100.3096 -67.7667 556290.5554 7.9556 8.0907 PRESSURE: 762000 -19.5954 24.6958 121.02 24.6956 -26.8805 66.278 121.018 66.2762 85.2051 GPRESSURE: 762000 10.8816 -43.3081 182.802 41.9825 -15.7157 155.92 77.2285 72.5033 145.898 PRESSAVG: 762000 -11.7961 13.3489 8.38509 13.3489 -30.3948 41.6629 8.38499 41.6629 57.6095 GPRESSAVG: 762000 -11.9346 14.3357 9.88907 11.9452 -31.0748 40.221 7.44649 42.0391 57.59 TIMING: 762000 CPU: 2206.53, 0.00288704/step Wall: 2206.53, 0.00288704/step, 3.39869 hours remaining, 206.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 762000 776.1088 2040.3839 1927.5038 121.9795 -206194.0950 17821.1216 0.0000 0.0000 34396.2958 -149110.7015 300.3914 -183506.9973 -149019.8444 299.9120 12.9098 47.0214 557072.7918 5.1395 4.8602 PRESSURE: 762200 -57.7333 15.2074 -147.752 15.2068 -30.5789 121.772 -147.752 121.772 306.917 GPRESSURE: 762200 -25.0556 -5.72827 -112.405 22.4391 57.9923 167.174 -221.534 132.016 282.979 PRESSAVG: 762200 8.6581 9.89048 9.40574 9.89043 52.235 44.1803 9.40574 44.1803 -1.20564 GPRESSAVG: 762200 9.65446 7.16893 8.57875 13.1065 52.0266 41.4427 9.09549 45.5908 -2.33075 TIMING: 762200 CPU: 2207.11, 0.00289955/step Wall: 2207.11, 0.00289955/step, 3.41326 hours remaining, 206.304688 MB of memory in use. ENERGY: 762200 739.1731 2058.8560 1928.7047 108.1924 -206090.7121 17850.4457 0.0000 0.0000 34238.8373 -149166.5030 299.0163 -183405.3403 -149070.7995 299.3285 72.8683 105.3051 558373.0629 19.8958 19.7834 PRESSURE: 762400 -168.522 166.176 -140.411 166.176 -28.4066 8.73987 -140.412 8.73943 -126.082 GPRESSURE: 762400 -129.832 89.0966 -149.495 232.293 -83.9727 -57.3083 -4.0303 51.1784 -12.5314 PRESSAVG: 762400 -59.4895 -45.0891 -35.1761 -45.0891 47.7434 25.8643 -35.176 25.8644 -9.66427 GPRESSAVG: 762400 -59.6102 -43.906 -33.7788 -45.7989 45.7934 26.7986 -34.2308 24.1906 -8.6029 TIMING: 762400 CPU: 2207.69, 0.00289632/step Wall: 2207.69, 0.00289632/step, 3.40929 hours remaining, 206.304688 MB of memory in use. ENERGY: 762400 694.0849 2116.6507 1924.6700 110.7018 -206278.4969 17851.6881 0.0000 0.0000 34256.6741 -149324.0273 299.1721 -183580.7014 -149221.9599 299.1669 -107.6704 -75.4454 557584.1918 -7.1368 -7.4732 PRESSURE: 762600 227.923 -175.502 210.482 -175.502 -66.545 29.7115 210.483 29.7118 192.003 GPRESSURE: 762600 259.277 -225.654 301.288 -149.015 -46.5392 22.395 201.477 -2.83894 239.661 PRESSAVG: 762600 5.01422 -17.6607 45.2639 -17.6606 103.41 -15.0753 45.264 -15.0753 -45.8096 GPRESSAVG: 762600 6.05865 -18.8868 42.0809 -18.0679 103.995 -10.929 44.8529 -15.6583 -47.4792 TIMING: 762600 CPU: 2208.27, 0.00290858/step Wall: 2208.27, 0.00290858/step, 3.42356 hours remaining, 206.304688 MB of memory in use. ENERGY: 762600 750.0987 2113.3052 1931.2965 102.0124 -206695.5157 18098.0941 0.0000 0.0000 34393.0689 -149307.6398 300.3632 -183700.7087 -149208.6581 299.4553 117.7938 150.7995 557620.6380 20.8715 20.8582 PRESSURE: 762800 -125.642 1.03238 -33.1094 1.0312 -50.6118 40.9105 -33.1089 40.912 9.00262 GPRESSURE: 762800 -124.772 -2.37209 3.78998 26.1446 -10.7953 79.243 -69.6898 27.5459 54.7417 PRESSAVG: 762800 77.1776 -40.3966 -20.2981 -40.3965 -24.8382 26.2309 -20.2981 26.2309 -55.314 GPRESSAVG: 762800 75.899 -39.3491 -17.9841 -40.9849 -23.9625 24.0348 -20.268 25.89 -54.0204 TIMING: 762800 CPU: 2208.86, 0.00291475/step Wall: 2208.86, 0.00291475/step, 3.43066 hours remaining, 206.304688 MB of memory in use. ENERGY: 762800 726.6529 2073.9623 1948.9006 109.7630 -206124.3312 17812.1395 0.0000 0.0000 34195.8970 -149257.0160 298.6413 -183452.9130 -149157.2095 298.6924 -55.7504 -26.9419 559807.9912 -0.9915 -0.6946 PRESSURE: 763000 72.1418 -76.7318 173.721 -76.732 145.716 7.3224 173.721 7.32314 -110.376 GPRESSURE: 763000 46.2754 -75.9741 77.198 -110.172 209.9 19.85 122.518 -32.5246 -68.7316 PRESSAVG: 763000 91.7263 -60.3718 55.7036 -60.3717 -27.5512 8.28467 55.7037 8.28481 -46.1302 GPRESSAVG: 763000 91.7494 -56.7328 54.5158 -60.3458 -27.3802 8.23476 56.6701 10.9194 -46.2556 TIMING: 763000 CPU: 2209.44, 0.00291346/step Wall: 2209.44, 0.00291346/step, 3.42898 hours remaining, 206.304688 MB of memory in use. ENERGY: 763000 767.1700 2102.0904 1952.2989 112.2247 -206075.3505 17899.4109 0.0000 0.0000 34024.4647 -149217.6909 297.1441 -183242.1556 -149125.2145 298.3039 35.8271 62.4811 558991.1756 6.0149 6.0379 PRESSURE: 763200 -291.625 100.199 -40.7629 100.199 -359.388 147.388 -40.762 147.39 -56.7335 GPRESSURE: 763200 -238.298 19.9047 -21.6026 124.241 -355.173 112.642 -47.688 192.076 -28.8346 PRESSAVG: 763200 -11.5576 -57.2008 56.417 -57.2008 31.0037 -3.52869 56.417 -3.52867 -53.5967 GPRESSAVG: 763200 -11.2424 -61.2697 55.6912 -54.7187 30.8377 -1.73021 55.5261 -5.13561 -53.61 TIMING: 763200 CPU: 2210.02, 0.00290613/step Wall: 2210.02, 0.00290613/step, 3.42019 hours remaining, 206.304688 MB of memory in use. ENERGY: 763200 765.9266 2097.0522 1942.2247 108.1377 -205617.4688 17333.7836 0.0000 0.0000 34111.7698 -149258.5743 297.9066 -183370.3441 -149169.1518 298.5449 -235.9155 -207.4353 560795.9826 -11.3835 -11.3382 PRESSURE: 763400 160.692 100.67 -33.0923 100.669 -30.4627 -6.92514 -33.0915 -6.9243 420.92 GPRESSURE: 763400 189.744 1.76745 -15.4674 77.786 -20.6412 46.7651 53.5384 -68.6954 474.624 PRESSAVG: 763400 0.438847 -80.6016 38.2648 -80.6016 -43.3462 2.24926 38.2649 2.24928 20.5141 GPRESSAVG: 763400 0.737826 -76.2488 38.7434 -83.2532 -43.5861 0.350731 38.6888 2.01687 20.9655 TIMING: 763400 CPU: 2210.6, 0.00290721/step Wall: 2210.6, 0.00290721/step, 3.4213 hours remaining, 206.304688 MB of memory in use. ENERGY: 763400 744.1047 2076.9723 1938.7935 114.5803 -206726.7083 18319.5114 0.0000 0.0000 34379.1701 -149153.5759 300.2418 -183532.7459 -149054.6441 298.7844 183.7163 214.5755 558295.0528 -7.4644 -7.2943 PRESSURE: 763600 -146.361 -36.02 -6.41518 -36.0209 -96.8827 -48.0565 -6.41596 -48.0574 -100.56 GPRESSURE: 763600 -100.628 -9.63912 19.5328 38.2017 -122.685 16.3547 -15.3891 -38.1109 -30.9411 PRESSAVG: 763600 18.9613 -64.1632 17.6506 -64.163 8.21417 -1.63093 17.6506 -1.63079 1.26097 GPRESSAVG: 763600 19.0846 -67.4308 20.2017 -63.0582 8.13341 -0.800697 16.5503 -1.23684 0.88253 TIMING: 763600 CPU: 2211.19, 0.00292023/step Wall: 2211.19, 0.00292023/step, 3.43646 hours remaining, 206.304688 MB of memory in use. ENERGY: 763600 755.2534 2061.3031 1920.5214 106.6188 -205867.3706 17497.1272 0.0000 0.0000 34336.9208 -149189.6259 299.8729 -183526.5467 -149093.7163 299.5054 -114.6012 -84.7512 557294.2718 9.4788 9.3668 PRESSURE: 763800 112.075 46.2513 89.9488 46.2501 82.4154 83.9222 89.9492 83.9214 234.728 GPRESSURE: 763800 173.074 40.642 113.818 81.5574 107.743 154.797 90.9864 24.6901 229.783 PRESSAVG: 763800 19.1859 3.35209 2.75776 3.35207 -52.902 13.5357 2.75779 13.5357 24.4517 GPRESSAVG: 763800 18.4821 2.26448 2.8367 3.73632 -52.2675 14.1972 5.0527 13.3211 24.197 TIMING: 763800 CPU: 2211.77, 0.00290765/step Wall: 2211.77, 0.00290765/step, 3.4215 hours remaining, 206.304688 MB of memory in use. ENERGY: 763800 722.9344 2124.9432 1939.2696 101.6307 -206206.2579 17919.8179 0.0000 0.0000 34220.6078 -149177.0543 298.8571 -183397.6621 -149085.0948 300.0047 143.0727 170.2005 555826.0794 -3.0882 -3.1961 PRESSURE: 764000 239.479 -188.394 64.3872 -188.394 266.309 35.4892 64.3875 35.4899 -85.0472 GPRESSURE: 764000 219.088 -213.283 107.809 -113.237 298.69 55.2109 38.8094 -14.506 7.81914 PRESSAVG: 764000 -38.3484 -7.57528 34.4075 -7.57544 20.7294 9.87618 34.4074 9.87608 -41.3244 GPRESSAVG: 764000 -38.2094 -5.52033 32.1263 -8.5684 21.4989 10.1262 34.6233 7.95943 -41.6543 TIMING: 764000 CPU: 2212.35, 0.00291659/step Wall: 2212.35, 0.00291659/step, 3.43186 hours remaining, 206.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 764000 783.2117 2065.1716 1955.4918 121.6821 -206493.3319 18140.4202 0.0000 0.0000 34263.8842 -149163.4704 299.2350 -183427.3546 -149060.6643 299.0732 140.2471 175.1989 556495.2948 -19.6478 -19.4549 PRESSURE: 764200 -206.655 198.542 -28.9974 198.54 26.4056 -45.0351 -28.998 -45.0361 335.474 GPRESSURE: 764200 -124.884 249.411 -51.1704 168.985 20.8773 -1.47907 -6.25503 -71.7079 363.983 PRESSAVG: 764200 -23.8322 -9.13763 -5.52786 -9.13767 27.1977 16.0567 -5.52795 16.0566 10.6632 GPRESSAVG: 764200 -23.8693 -9.77098 -5.22718 -10.2316 26.4071 14.3414 -6.04998 18.6733 11.2491 TIMING: 764200 CPU: 2212.93, 0.00288902/step Wall: 2212.93, 0.00288902/step, 3.39925 hours remaining, 206.371094 MB of memory in use. ENERGY: 764200 731.7490 2087.4857 1952.2758 109.2681 -206350.2810 17975.7839 0.0000 0.0000 34311.8106 -149181.9080 299.6536 -183493.7186 -149087.0544 299.5295 51.7414 86.6588 557326.8726 4.6762 4.5956 LDB: ============= START OF LOAD BALANCING ============== 2216.32 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2216.32 LDB: =============== DONE WITH MIGRATION ================ 2216.32 LDB: ============= START OF LOAD BALANCING ============== 2216.61 LDB: Largest compute 4820 load 0.027581 is 23.4% of average load 0.117851 LDB: Average compute 0.001722 is 1.5% of average load 0.117851 LDB: TIME 2216.61 LOAD: AVG 0.117851 MAX 0.185849 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.758 MB LDB: TIME 2216.61 LOAD: AVG 0.117851 MAX 0.185849 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.758 MB LDB: TIME 2216.61 LOAD: AVG 0.117851 MAX 0.185849 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2216.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2216.62 PRESSURE: 764400 291.261 85.0049 87.5532 85.0056 226.731 50.4225 87.5531 50.4234 103.421 GPRESSURE: 764400 342.443 13.3043 5.47823 93.9166 199.866 114.231 61.175 42.1927 177.583 PRESSAVG: 764400 15.2099 55.3181 67.8489 55.318 -56.8762 -13.0316 67.8488 -13.0317 42.6732 GPRESSAVG: 764400 13.8884 54.425 67.1605 56.5433 -56.8657 -10.871 69.06 -15.4393 43.3563 TIMING: 764400 CPU: 2213.52, 0.00296997/step Wall: 2213.52, 0.00296997/step, 3.49433 hours remaining, 206.558594 MB of memory in use. ENERGY: 764400 735.7531 2108.1741 1978.9090 116.8616 -206398.7138 18123.2349 0.0000 0.0000 34149.7825 -149185.9986 298.2385 -183335.7810 -149089.4262 299.4831 207.1375 239.9642 556170.2806 0.3356 0.1263 PRESSURE: 764600 -80.5205 -40.7986 96.1467 -40.799 324.44 244.845 96.147 244.847 226.885 GPRESSURE: 764600 -54.2922 -104.18 132.141 -31.0168 356.908 283.801 87.6195 199.781 272.501 PRESSAVG: 764600 0.0127076 13.3943 49.177 13.3943 32.5306 10.378 49.177 10.3779 -16.6337 GPRESSAVG: 764600 0.497049 15.1622 51.4061 13.2058 32.4296 9.32924 45.6714 11.5452 -17.1797 TIMING: 764600 CPU: 2214.11, 0.00291292/step Wall: 2214.11, 0.00291292/step, 3.42705 hours remaining, 206.558594 MB of memory in use. ENERGY: 764600 746.2429 2081.7826 1941.9615 116.8508 -206634.6491 18095.6877 0.0000 0.0000 34541.7658 -149110.3578 301.6618 -183652.1236 -149009.1960 299.6902 156.9347 191.7055 555763.3221 5.3032 5.2490 PRESSURE: 764800 286.987 -4.19563 82.6157 -4.1945 196.637 183.506 82.6143 183.505 291.707 GPRESSURE: 764800 300.336 24.5179 -13.8105 -20.0199 294.433 88.2628 170.31 220.97 274.715 PRESSAVG: 764800 -10.3351 -2.10636 -5.94222 -2.10632 15.8215 30.8421 -5.94228 30.8421 4.96319 GPRESSAVG: 764800 -10.6985 -1.21968 -7.83928 -1.03453 15.5981 30.8086 -2.84773 31.8154 5.78159 TIMING: 764800 CPU: 2214.69, 0.00289673/step Wall: 2214.69, 0.00289673/step, 3.40785 hours remaining, 206.558594 MB of memory in use. ENERGY: 764800 750.1361 2120.5080 1955.8741 104.4295 -206883.0795 18217.0760 0.0000 0.0000 34543.1902 -149191.8656 301.6743 -183735.0558 -149090.7688 299.2209 258.4440 289.8279 556723.3181 3.4832 3.5604 PRESSURE: 765000 -74.6763 -158.265 -42.2832 -158.265 123.993 96.4404 -42.2828 96.4381 65.0194 GPRESSURE: 765000 -27.9477 -93.6066 -71.3293 -111.79 187.754 54.6101 -110.17 191.314 55.4195 PRESSAVG: 765000 -23.3949 9.23356 26.1406 9.23354 7.39757 -22.4993 26.1405 -22.4994 20.8464 GPRESSAVG: 765000 -22.35 9.2026 25.2739 7.83297 7.06594 -22.0299 24.5786 -22.3975 20.277 TIMING: 765000 CPU: 2215.27, 0.00292311/step Wall: 2215.27, 0.00292311/step, 3.43871 hours remaining, 206.558594 MB of memory in use. ENERGY: 765000 783.0057 2084.9053 1926.2446 112.0836 -206360.4576 17998.5129 0.0000 0.0000 34304.7894 -149150.9161 299.5923 -183455.7055 -149057.1504 300.0195 38.1120 71.7418 556628.8967 1.6163 1.6643 PRESSURE: 765200 -76.712 -74.8774 -84.1345 -74.8784 84.6465 99.7336 -84.1348 99.7343 71.6757 GPRESSURE: 765200 -72.3095 -120.931 -166.904 -66.1721 155.006 24.6573 -36.903 131.822 89.9812 PRESSAVG: 765200 -32.6981 -31.728 -2.32424 -31.728 40.6443 39.439 -2.32417 39.4391 -13.4164 GPRESSAVG: 765200 -33.4525 -33.1048 -1.75731 -30.356 40.8632 39.5008 -1.93611 38.7059 -12.7767 TIMING: 765200 CPU: 2215.85, 0.00291397/step Wall: 2215.85, 0.00291397/step, 3.4278 hours remaining, 206.558594 MB of memory in use. ENERGY: 765200 715.9382 2048.0785 1931.9777 114.8722 -206255.4518 17808.1159 0.0000 0.0000 34264.5421 -149371.9272 299.2408 -183636.4693 -149275.7793 299.1876 26.5367 57.5591 557168.4195 -1.8234 -1.7887 PRESSURE: 765400 -9.28246 73.4257 -81.6843 73.426 -77.0686 5.12553 -81.6836 5.12532 173.283 GPRESSURE: 765400 89.8063 73.7534 -91.08 20.233 -87.3828 69.9664 -83.3286 7.93145 177.102 PRESSAVG: 765400 1.51879 -24.3901 29.6993 -24.3901 -3.46319 18.0015 29.6994 18.0014 11.2705 GPRESSAVG: 765400 2.23439 -22.7505 31.5304 -26.3527 -3.58687 17.378 29.0127 18.6349 10.9939 TIMING: 765400 CPU: 2216.44, 0.00291751/step Wall: 2216.44, 0.00291751/step, 3.4318 hours remaining, 206.558594 MB of memory in use. ENERGY: 765400 759.9657 2048.9108 1943.0239 115.9191 -206211.0933 17914.3414 0.0000 0.0000 34230.7620 -149198.1703 298.9458 -183428.9323 -149104.0458 299.3033 28.9774 59.8417 557417.6281 3.1087 3.2138 PRESSURE: 765600 -97.8185 -87.5746 89.9853 -87.5748 -125.954 -21.3447 89.9861 -21.3452 -368.899 GPRESSURE: 765600 -26.0531 -56.0099 94.839 -32.0384 -83.8546 -85.1585 39.3321 9.0658 -374.3 PRESSAVG: 765600 64.2139 -23.3183 62.3869 -23.3183 -9.50171 -16.7079 62.3868 -16.7078 -9.88404 GPRESSAVG: 765600 64.2501 -24.0387 61.9049 -22.6422 -9.05014 -19.3164 62.6017 -16.3115 -10.2942 TIMING: 765600 CPU: 2217.02, 0.00291504/step Wall: 2217.02, 0.00291504/step, 3.42874 hours remaining, 206.558594 MB of memory in use. ENERGY: 765600 800.6299 2108.3887 1957.9064 107.7367 -206031.7470 17709.8255 0.0000 0.0000 34315.5888 -149031.6710 299.6866 -183347.2598 -148938.0517 299.8186 -197.5570 -161.4027 557839.6901 14.9427 14.9686 PRESSURE: 765800 307.65 113.474 29.9104 113.473 202.242 -45.4222 29.9121 -45.4225 152.032 GPRESSURE: 765800 304.189 126.302 68.7604 92.622 251.931 -23.0148 -23.3845 -165.098 190.423 PRESSAVG: 765800 51.1962 -27.3136 68.4243 -27.3137 18.4141 -34.6532 68.4243 -34.6531 -19.0883 GPRESSAVG: 765800 50.7236 -27.2901 67.8727 -25.9212 19.138 -31.3409 69.6715 -37.8072 -18.6437 TIMING: 765800 CPU: 2217.6, 0.00290748/step Wall: 2217.6, 0.00290748/step, 3.41969 hours remaining, 206.558594 MB of memory in use. ENERGY: 765800 739.4292 2115.9181 1941.5259 116.1373 -206677.8292 18188.2325 0.0000 0.0000 34412.0963 -149164.4899 300.5294 -183576.5862 -149058.4346 299.8593 220.6412 248.8476 555575.4175 16.8407 17.0726 PRESSURE: 766000 -3.77055 74.6401 -84.6006 74.6382 -116.481 204.036 -84.6001 204.037 -10.3273 GPRESSURE: 766000 29.3581 58.029 -62.9987 171.551 -69.2675 186.121 -146.075 164.058 1.26518 PRESSAVG: 766000 -9.25276 46.8717 38.2639 46.8718 -43.7336 0.849572 38.2639 0.849672 12.2626 GPRESSAVG: 766000 -9.38209 45.3349 39.8544 48.0966 -44.0423 -0.82761 35.6141 5.00638 12.7149 TIMING: 766000 CPU: 2218.18, 0.00291393/step Wall: 2218.18, 0.00291393/step, 3.42711 hours remaining, 206.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 766000 725.3887 2106.2303 1957.6643 112.2598 -206089.3987 17730.1030 0.0000 0.0000 34374.8328 -149082.9199 300.2040 -183457.7527 -148987.0080 299.6222 -43.5262 -12.8814 556097.8494 -13.5746 -13.5698 PRESSURE: 766200 167.147 -138.333 -81.3911 -138.333 105.101 178.291 -81.3906 178.291 284.56 GPRESSURE: 766200 198.139 -130.572 -44.9727 -101.666 132.546 268.219 -43.1637 197.233 307.039 PRESSAVG: 766200 12.2499 42.4127 -19.5742 42.4129 -1.68922 39.427 -19.5741 39.427 66.877 GPRESSAVG: 766200 12.5286 43.0703 -23.9416 40.3954 -2.65694 41.1682 -16.363 37.3648 68.0492 TIMING: 766200 CPU: 2218.77, 0.00292256/step Wall: 2218.77, 0.00292256/step, 3.4371 hours remaining, 206.792969 MB of memory in use. ENERGY: 766200 765.8331 2108.6294 1953.4861 114.9179 -206364.9483 18198.2015 0.0000 0.0000 34045.3382 -149178.5420 297.3264 -183223.8802 -149090.8873 299.4166 185.6024 212.5746 555343.7263 25.8126 25.9736 PRESSURE: 766400 -82.6491 88.4347 37.7296 88.4363 70.4366 -75.6066 37.729 -75.6061 95.1151 GPRESSURE: 766400 0.833559 84.9022 101.302 47.6356 59.7939 -106.523 18.774 -44.3851 113.454 PRESSAVG: 766400 7.13266 3.8604 -7.20271 3.86046 -3.30775 -2.78566 -7.20271 -2.78553 35.6674 GPRESSAVG: 766400 8.16259 3.53156 -3.9834 3.89901 -2.72807 -1.64596 -9.45101 -3.05606 33.589 TIMING: 766400 CPU: 2219.35, 0.00292132/step Wall: 2219.35, 0.00292132/step, 3.43547 hours remaining, 206.792969 MB of memory in use. ENERGY: 766400 756.4233 2114.9050 1971.3385 119.8639 -206017.5354 17780.8634 0.0000 0.0000 34118.6305 -149155.5108 297.9665 -183274.1413 -149064.6247 299.3041 27.6342 58.0272 556757.6638 13.1641 13.0078 PRESSURE: 766600 -289.183 73.7983 -149.207 73.7978 -178.334 -9.90907 -149.206 -9.90927 -38.5778 GPRESSURE: 766600 -253.012 46.4849 -231.526 141.466 -178.077 45.472 -126.506 -11.9923 2.13004 PRESSAVG: 766600 -9.17864 -8.1024 -16.4221 -8.10248 -12.4422 5.3195 -16.4221 5.31947 72.4389 GPRESSAVG: 766600 -9.39261 -7.07508 -16.9627 -7.1177 -11.7245 4.14494 -15.3354 6.8272 71.8754 TIMING: 766600 CPU: 2219.93, 0.00289534/step Wall: 2219.93, 0.00289534/step, 3.40476 hours remaining, 206.792969 MB of memory in use. ENERGY: 766600 776.8931 2086.2858 1965.2990 120.4786 -206005.8721 17646.7218 0.0000 0.0000 34171.0942 -149239.0994 298.4247 -183410.1936 -149154.4220 298.9589 -168.6983 -142.9865 558160.7790 16.9394 16.9194 PRESSURE: 766800 17.7621 161.975 -7.59313 161.975 -85.1549 64.2316 -7.59226 64.2317 -9.82532 GPRESSURE: 766800 79.4757 147.464 -31.4513 98.1653 -47.702 160.528 6.89485 68.7731 -13.0357 PRESSAVG: 766800 -16.4075 39.2818 -9.82307 39.2818 -39.4048 25.747 -9.82309 25.7471 36.1567 GPRESSAVG: 766800 -16.0591 35.9988 -10.2983 41.411 -39.1509 25.5197 -8.51016 25.0355 35.7242 TIMING: 766800 CPU: 2220.51, 0.00288958/step Wall: 2220.51, 0.00288958/step, 3.39783 hours remaining, 206.792969 MB of memory in use. ENERGY: 766800 766.4576 2113.5493 1966.2684 101.2798 -206636.3002 17888.3156 0.0000 0.0000 34354.4819 -149445.9475 300.0262 -183800.4294 -149356.1602 298.9909 -25.7394 6.2460 555973.6521 -6.5519 -6.4953 PRESSURE: 767000 147.373 53.2726 -196.877 53.2715 -279.305 -49.3835 -196.876 -49.3855 -192.068 GPRESSURE: 767000 120.098 -6.69836 -188.68 116.558 -214.803 -2.46628 -237.408 -67.2155 -138.498 PRESSAVG: 767000 65.9185 45.7278 -53.3957 45.7278 -62.5271 54.645 -53.3957 54.645 -24.4889 GPRESSAVG: 767000 65.2066 48.1485 -53.329 43.3925 -62.7714 54.5396 -55.2522 55.1616 -23.5322 TIMING: 767000 CPU: 2221.09, 0.00288761/step Wall: 2221.09, 0.00288761/step, 3.39535 hours remaining, 206.792969 MB of memory in use. ENERGY: 767000 745.9308 2112.8678 1930.0902 118.9238 -206397.0967 17834.0021 0.0000 0.0000 34133.8279 -149521.4540 298.0992 -183655.2820 -149425.3303 298.3416 -107.9999 -77.7344 556385.4917 -7.0325 -7.0323 PRESSURE: 767200 -52.3963 139.335 128.087 139.334 25.2167 73.8267 128.088 73.8261 118.977 GPRESSURE: 767200 -49.4686 60.8261 89.9006 188.578 84.6963 36.0776 133.223 133.426 153.736 PRESSAVG: 767200 -13.4033 -2.92703 11.5162 -2.92707 -28.4535 85.9947 11.5163 85.9947 4.28004 GPRESSAVG: 767200 -11.9884 -1.57527 10.7849 -4.41105 -30.5903 83.6079 11.8711 87.419 5.22838 TIMING: 767200 CPU: 2221.67, 0.00289547/step Wall: 2221.67, 0.00289548/step, 3.40444 hours remaining, 206.792969 MB of memory in use. ENERGY: 767200 764.6431 2070.8118 1960.7024 121.2200 -206328.9009 17904.1930 0.0000 0.0000 33830.9009 -149676.4297 295.4537 -183507.3306 -149588.6901 298.4807 30.5992 62.9878 556626.3211 -12.5256 -12.4501 PRESSURE: 767400 -240.448 -108.104 61.6726 -108.103 -44.2282 -177.642 61.6716 -177.643 184.541 GPRESSURE: 767400 -178.309 -122.334 22.9353 -112.095 35.5984 -158.643 141.367 -72.5081 136.762 PRESSAVG: 767400 8.62206 44.9748 31.3158 44.9747 -25.08 -7.84612 31.3157 -7.84631 35.2483 GPRESSAVG: 767400 7.47045 43.1182 32.4179 47.3655 -24.0861 -4.92179 31.3111 -8.62869 35.0115 TIMING: 767400 CPU: 2222.24, 0.00287912/step Wall: 2222.24, 0.00287912/step, 3.38505 hours remaining, 206.859375 MB of memory in use. ENERGY: 767400 779.2870 2108.5772 1958.6022 121.4848 -207080.5648 18070.9816 0.0000 0.0000 34230.0238 -149811.6081 298.9393 -184041.6319 -149716.6481 297.8855 -33.3783 -1.9827 558363.4275 6.2634 6.1319 PRESSURE: 767600 -131.835 -137.427 42.806 -137.427 108.352 -55.9727 42.8042 -55.9724 73.7989 GPRESSURE: 767600 -108.117 -182.192 34.2007 -71.5083 170.392 -97.3949 29.5265 -9.90709 71.9976 PRESSAVG: 767600 -13.43 9.44646 -11.5308 9.44654 -25.7379 12.5799 -11.5308 12.5798 61.3545 GPRESSAVG: 767600 -13.0361 8.75534 -9.8176 9.0537 -26.19 10.8059 -11.6997 11.2405 61.0946 TIMING: 767600 CPU: 2222.82, 0.0028794/step Wall: 2222.82, 0.0028794/step, 3.38522 hours remaining, 206.859375 MB of memory in use. ENERGY: 767600 750.2774 2062.2511 1968.3802 108.1000 -206829.5292 18074.4384 0.0000 0.0000 34202.1526 -149663.9295 298.6959 -183866.0821 -149570.4990 298.3786 16.7719 44.7578 557303.0696 7.3955 7.2895 PRESSURE: 767800 276.869 -12.4728 1.49957 -12.473 29.2671 -9.13584 1.49883 -9.136 80.9254 GPRESSURE: 767800 282.73 -3.3339 -46.7395 -23.7861 57.2739 -25.3558 74.8048 -12.2314 137.363 PRESSAVG: 767800 -14.794 11.6173 -26.6871 11.6173 -7.84476 -11.1342 -26.6871 -11.1342 33.0878 GPRESSAVG: 767800 -15.5292 12.4268 -29.391 11.1327 -6.97911 -11.294 -24.6342 -11.4877 33.3008 TIMING: 767800 CPU: 2223.39, 0.00287578/step Wall: 2223.39, 0.00287578/step, 3.3808 hours remaining, 206.859375 MB of memory in use. ENERGY: 767800 709.9560 2038.6008 1947.4649 107.9886 -206550.6959 17983.8240 0.0000 0.0000 34092.5596 -149670.3020 297.7388 -183762.8616 -149567.1747 298.0485 129.0204 159.1225 556079.2288 3.4830 3.5975 PRESSURE: 768000 -120.298 -0.6093 -100.877 -0.608883 -121.443 -137.905 -100.878 -137.906 -11.1665 GPRESSURE: 768000 -97.0589 47.6969 -64.0086 -43.3081 -84.7032 -183.233 -56.1772 -127.674 31.8351 PRESSAVG: 768000 -6.50548 27.0986 -15.405 27.0986 -0.00418529 -49.4359 -15.405 -49.4359 -22.8062 GPRESSAVG: 768000 -6.29711 28.8461 -16.1202 25.8258 -0.311566 -48.6706 -16.8672 -48.4595 -22.5033 TIMING: 768000 CPU: 2223.97, 0.00287318/step Wall: 2223.97, 0.00287318/step, 3.37758 hours remaining, 206.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 768000 756.5131 2111.7083 1984.4258 123.9669 -206736.7092 17850.5981 0.0000 0.0000 34258.4240 -149651.0730 299.1873 -183909.4970 -149546.3433 298.2918 -84.3024 -49.9757 555895.5050 -9.7719 -9.7040 PRESSURE: 768200 -203.347 145.928 84.8048 145.928 169.516 121.687 84.8047 121.685 -103.352 GPRESSURE: 768200 -208.866 117.838 116.154 154.796 199.026 83.0154 99.7962 119.269 -27.3807 PRESSAVG: 768200 -27.8909 31.178 -53.9115 31.178 41.0646 -38.1581 -53.9115 -38.1581 3.6992 GPRESSAVG: 768200 -27.9763 29.0595 -51.0659 33.054 41.516 -38.8497 -54.6172 -37.7769 2.77518 TIMING: 768200 CPU: 2224.54, 0.00287775/step Wall: 2224.54, 0.00287775/step, 3.3828 hours remaining, 206.859375 MB of memory in use. ENERGY: 768200 774.0455 2094.2586 1926.3971 105.5057 -206380.1524 17700.4820 0.0000 0.0000 34332.4237 -149447.0398 299.8336 -183779.4635 -149353.6154 298.5102 -45.7276 -12.4069 555941.7635 5.6243 5.4383 LDB: ============= START OF LOAD BALANCING ============== 2227.93 LDB: ============== END OF LOAD BALANCING =============== 2227.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2227.93 LDB: ============= START OF LOAD BALANCING ============== 2228.22 LDB: Largest compute 4820 load 0.027841 is 23.6% of average load 0.117895 LDB: Average compute 0.001722 is 1.5% of average load 0.117895 LDB: TIME 2228.22 LOAD: AVG 0.117895 MAX 0.187462 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.758 MB LDB: TIME 2228.22 LOAD: AVG 0.117895 MAX 0.187462 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.758 MB LDB: TIME 2228.22 LOAD: AVG 0.117895 MAX 0.187462 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.758 MB LDB: ============== END OF LOAD BALANCING =============== 2228.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2228.22 PRESSURE: 768400 -55.1973 -125.854 69.3327 -125.853 22.0297 -84.1438 69.3327 -84.1428 -182.656 GPRESSURE: 768400 -14.939 -83.2477 -1.25512 -70.4748 51.0971 -132.426 46.0308 -55.5208 -145.335 PRESSAVG: 768400 -15.2773 44.6397 24.4611 44.6396 -17.7732 13.8559 24.4612 13.8558 6.89996 GPRESSAVG: 768400 -14.343 45.5356 24.2765 45.1292 -18.9995 11.9171 24.9549 13.154 7.50935 TIMING: 768400 CPU: 2225.13, 0.00292814/step Wall: 2225.13, 0.00292814/step, 3.44186 hours remaining, 207.531250 MB of memory in use. ENERGY: 768400 753.2091 2137.4291 1922.6727 115.8076 -206270.8431 17702.4542 0.0000 0.0000 34212.3078 -149426.9625 298.7846 -183639.2702 -149333.9720 298.3606 -71.9411 -36.3923 556379.6935 -8.7168 -8.6110 PRESSURE: 768600 -16.606 -124.36 155.209 -124.36 -219.971 -41.719 155.208 -41.7209 -299.259 GPRESSURE: 768600 68.953 -126.887 165.905 -137.483 -210.496 -25.1444 163.95 -71.0607 -295.235 PRESSAVG: 768600 -42.4802 -66.2752 -14.2082 -66.2753 34.7886 9.82077 -14.2082 9.82075 -4.56248 GPRESSAVG: 768600 -42.2707 -65.9128 -13.9126 -66.6897 36.4569 11.0841 -14.8725 10.8652 -5.75018 TIMING: 768600 CPU: 2225.71, 0.00289821/step Wall: 2225.71, 0.00289821/step, 3.40653 hours remaining, 207.531250 MB of memory in use. ENERGY: 768600 747.9913 2094.4441 1942.7721 115.5689 -205982.2233 17416.7046 0.0000 0.0000 34149.5159 -149515.2263 298.2362 -183664.7423 -149417.2500 298.9794 -178.6120 -145.5924 556376.2195 -4.0847 -3.8547 PRESSURE: 768800 -476.073 5.42063 82.5156 5.42168 -183.521 -57.7634 82.5158 -57.7634 42.469 GPRESSURE: 768800 -398.178 -74.8635 5.8409 -40.1372 -160.696 -45.7633 64.827 -18.644 40.8124 PRESSAVG: 768800 -24.8532 -44.8889 -48.3414 -44.889 -12.3996 22.1792 -48.3413 22.1793 15.6031 GPRESSAVG: 768800 -25.2117 -44.2419 -50.8062 -46.9469 -12.382 24.6132 -47.423 20.5626 16.2047 TIMING: 768800 CPU: 2226.29, 0.00288724/step Wall: 2226.29, 0.00288724/step, 3.39347 hours remaining, 207.531250 MB of memory in use. ENERGY: 768800 763.9774 2071.9055 1925.8604 130.1298 -206229.4442 17556.0471 0.0000 0.0000 34192.6704 -149588.8537 298.6131 -183781.5241 -149496.1159 298.7017 -205.7083 -172.6871 556150.1972 -7.2166 -7.1297 PRESSURE: 769000 259.487 -13.4579 -138.021 -13.4575 2.28798 47.4125 -138.021 47.4123 -78.4377 GPRESSURE: 769000 315.998 -20.9547 -178.658 68.1622 2.62401 92.2534 -118.932 0.372765 -31.5048 PRESSAVG: 769000 73.095 -9.38959 -17.218 -9.38959 -27.6001 18.3699 -17.218 18.3699 -4.37729 GPRESSAVG: 769000 72.3582 -10.1452 -15.4223 -9.34034 -27.0705 17.1298 -17.596 19.3492 -3.7591 TIMING: 769000 CPU: 2226.86, 0.00287964/step Wall: 2226.86, 0.00287964/step, 3.38438 hours remaining, 207.531250 MB of memory in use. ENERGY: 769000 756.7226 2128.0302 1957.9705 124.7886 -206598.6509 17982.1964 0.0000 0.0000 34104.9332 -149544.0094 297.8469 -183648.9426 -149441.6157 298.2078 61.1123 95.7056 554982.1360 13.7059 13.8428 PRESSURE: 769200 62.2503 -157.348 -90.5078 -157.348 -266.032 -65.4441 -90.5072 -65.4438 -38.6947 GPRESSURE: 769200 68.1098 -174.413 -159.356 -160.426 -219.708 -15.4842 -29.4276 -64.6062 -8.5085 PRESSAVG: 769200 -24.7113 -24.0144 8.72719 -24.0144 41.9495 -23.5568 8.72716 -23.5568 19.0822 GPRESSAVG: 769200 -24.1853 -24.3331 7.95365 -22.7488 41.6585 -24.965 8.63341 -21.6964 18.2723 TIMING: 769200 CPU: 2227.44, 0.0029017/step Wall: 2227.44, 0.0029017/step, 3.41014 hours remaining, 207.531250 MB of memory in use. ENERGY: 769200 751.3338 2073.8538 1971.0356 108.3030 -206137.0306 17629.5224 0.0000 0.0000 34108.7092 -149494.2729 297.8798 -183602.9821 -149398.3526 299.0431 -80.8253 -53.3688 556217.5656 12.1068 11.9152 PRESSURE: 769400 -91.9032 -53.7316 -48.0589 -53.731 36.2811 -98.7812 -48.059 -98.7788 -97.3271 GPRESSURE: 769400 -139.065 -82.3071 -26.1632 -0.308468 75.6402 -21.661 -86.8124 -80.7737 -10.3854 PRESSAVG: 769400 -80.6676 -67.4062 12.6558 -67.4062 74.2652 -6.13086 12.6558 -6.13087 30.0299 GPRESSAVG: 769400 -81.9394 -68.2625 14.6039 -65.3251 74.2709 -3.2145 10.9012 -9.74765 30.715 TIMING: 769400 CPU: 2228.02, 0.00290121/step Wall: 2228.02, 0.00290121/step, 3.40941 hours remaining, 207.531250 MB of memory in use. ENERGY: 769400 774.4775 2042.6339 1978.4046 116.6998 -205959.5433 17541.1153 0.0000 0.0000 34000.8566 -149505.3556 296.9379 -183506.2122 -149409.5941 297.9267 -50.9831 -24.6033 555389.1836 7.8758 7.6822 PRESSURE: 769600 76.4529 -246.258 -86.2007 -246.258 123.126 120.484 -86.2 120.482 -77.7471 GPRESSURE: 769600 86.1068 -88.4569 -87.3781 -261.27 165.972 92.3654 -29.055 119.083 -37.0942 PRESSAVG: 769600 31.8674 -54.364 -66.1909 -54.3639 31.0798 -16.4446 -66.1908 -16.4445 -20.1353 GPRESSAVG: 769600 33.0701 -51.7269 -66.7682 -57.0181 30.4964 -17.9564 -63.579 -17.397 -21.088 TIMING: 769600 CPU: 2228.6, 0.00290478/step Wall: 2228.6, 0.00290478/step, 3.41344 hours remaining, 207.531250 MB of memory in use. ENERGY: 769600 746.3184 2091.8664 1939.6396 121.2405 -206409.1051 17877.4728 0.0000 0.0000 33932.1862 -149700.3813 296.3382 -183632.5674 -149601.1322 298.3910 40.6106 71.6616 556982.6306 14.2706 14.1595 PRESSURE: 769800 120.982 -128.334 107.267 -128.334 69.4503 -41.3186 107.267 -41.3193 133.878 GPRESSURE: 769800 225.725 -142.36 57.6701 -121.793 68.9043 -94.4745 23.9713 -43.785 111.771 PRESSAVG: 769800 20.548 12.6847 -29.0679 12.6846 70.059 11.5432 -29.0678 11.5432 -53.3646 GPRESSAVG: 769800 20.4686 10.6936 -30.3793 13.0652 70.3333 12.3847 -28.5549 11.1121 -53.6219 TIMING: 769800 CPU: 2229.18, 0.00286955/step Wall: 2229.18, 0.00286955/step, 3.37188 hours remaining, 207.531250 MB of memory in use. ENERGY: 769800 745.2465 2127.8049 1908.4553 110.0589 -207028.5517 18216.3406 0.0000 0.0000 34071.1209 -149849.5245 297.5516 -183920.6455 -149764.2371 297.2911 108.1033 135.4669 557043.6106 12.4141 12.3933 PRESSURE: 770000 -33.1597 37.9606 9.94222 37.9618 -8.89699 57.2114 9.94198 57.2104 3.52613 GPRESSURE: 770000 -9.97873 71.9747 -83.3863 14.5187 25.4907 40.6675 26.4086 99.8358 47.2947 PRESSAVG: 770000 43.3559 67.6369 -29.578 67.6368 7.2346 18.3461 -29.578 18.3462 -76.5445 GPRESSAVG: 770000 43.7685 70.0934 -29.5216 65.6049 6.64757 18.8742 -32.2312 17.8037 -75.6482 TIMING: 770000 CPU: 2229.76, 0.00291776/step Wall: 2229.76, 0.00291776/step, 3.42837 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 770000 700.2347 2095.5126 1952.0415 125.5985 -206823.3090 17987.8918 0.0000 0.0000 33982.8593 -149979.1706 296.7808 -183962.0299 -149886.9348 296.7132 -12.8435 20.9355 558701.0355 -8.6513 -8.4107 PRESSURE: 770200 189.96 -25.23 80.1904 -25.2279 -57.3055 -25.6414 80.1898 -25.6412 -125.947 GPRESSURE: 770200 214.728 -141.197 106.992 -40.6375 -12.6713 -72.327 25.878 -78.8812 -109.173 PRESSAVG: 770200 28.5608 0.872751 -39.7068 0.87274 52.1937 0.249257 -39.7068 0.249318 -79.3241 GPRESSAVG: 770200 27.8848 -1.8565 -36.7897 1.93589 53.609 -0.803006 -39.6436 2.56859 -79.7366 TIMING: 770200 CPU: 2230.34, 0.00290804/step Wall: 2230.34, 0.00290804/step, 3.41679 hours remaining, 207.531250 MB of memory in use. ENERGY: 770200 724.3130 2105.2900 1929.7294 107.3353 -206410.4198 17958.2949 0.0000 0.0000 33658.9832 -149926.4741 293.9523 -183585.4573 -149833.9705 296.6808 2.2358 30.9612 558281.0360 0.4768 0.5857 PRESSURE: 770400 161.336 81.7035 240.086 81.7038 175.913 -86.9051 240.085 -86.905 95.9386 GPRESSURE: 770400 189.204 101.057 239.588 16.127 215.209 -91.2117 298.157 -102.542 106.606 PRESSAVG: 770400 21.2733 9.54417 -17.541 9.54424 -24.8255 -19.7211 -17.541 -19.7211 0.645694 GPRESSAVG: 770400 21.3344 10.2425 -19.5805 11.3002 -26.7887 -21.0239 -14.6972 -19.9501 2.39766 TIMING: 770400 CPU: 2230.93, 0.0029157/step Wall: 2230.93, 0.0029157/step, 3.42562 hours remaining, 207.531250 MB of memory in use. ENERGY: 770400 758.1426 2067.1628 1935.8781 117.1041 -206907.1037 18208.1407 0.0000 0.0000 33999.3847 -149821.2906 296.9251 -183820.6753 -149729.2581 297.1856 144.3959 170.3398 557094.7615 -0.9688 -1.0189 PRESSURE: 770600 -164.333 -29.7515 53.7665 -29.7519 156.401 -111.916 53.7668 -111.917 -76.4995 GPRESSURE: 770600 -208.187 -31.4611 75.7449 7.867 241.887 -181.16 -68.1427 -49.4484 -20.6432 PRESSAVG: 770600 9.73534 -36.8987 -18.4894 -36.8987 37.4391 -22.7073 -18.4894 -22.7073 -32.233 GPRESSAVG: 770600 9.15806 -36.2101 -16.53 -37.2717 39.2628 -25.3906 -19.8824 -22.904 -33.3986 TIMING: 770600 CPU: 2231.51, 0.00292054/step Wall: 2231.51, 0.00292054/step, 3.43115 hours remaining, 207.566406 MB of memory in use. ENERGY: 770600 716.0710 2060.7797 1944.2630 106.8657 -206372.3421 17807.2352 0.0000 0.0000 34052.3594 -149684.7680 297.3877 -183737.1274 -149588.9766 298.2631 -28.1437 4.3525 558617.0419 4.9805 5.0074 PRESSURE: 770800 0.861474 -6.05177 49.9209 -6.05262 72.8042 -102.729 49.9211 -102.729 -40.4816 GPRESSURE: 770800 29.6624 -10.4886 47.35 -36.6844 110.452 -114.503 41.3147 -15.0642 -15.3227 PRESSAVG: 770800 -39.1962 -77.6415 -21.4267 -77.6414 71.5865 -39.9478 -21.4268 -39.9477 -39.1272 GPRESSAVG: 770800 -39.7313 -79.5873 -21.6282 -79.7517 71.3887 -36.3778 -21.8112 -39.7219 -39.1109 TIMING: 770800 CPU: 2232.09, 0.00292291/step Wall: 2232.09, 0.00292291/step, 3.43378 hours remaining, 207.566406 MB of memory in use. ENERGY: 770800 729.6372 2073.2523 1925.3020 130.6168 -206581.2784 17895.9641 0.0000 0.0000 34259.8559 -149566.6500 299.1998 -183826.5060 -149458.7570 298.0454 11.0614 41.5971 556338.0018 -2.2457 -2.4845 PRESSURE: 771000 -64.7528 -64.0398 36.0834 -64.0388 -15.1164 86.0849 36.0828 86.0842 179.21 GPRESSURE: 771000 34.7367 -80.9986 81.1924 -31.8478 -38.9885 68.9646 -15.5308 29.9726 195.86 PRESSAVG: 771000 -6.11778 -5.03325 21.8148 -5.03329 -14.6233 4.337 21.8148 4.33693 4.13771 GPRESSAVG: 771000 -5.26876 -3.79357 21.9979 -3.81118 -15.0562 3.13037 21.7627 3.06484 3.80712 TIMING: 771000 CPU: 2232.67, 0.00289739/step Wall: 2232.67, 0.00289739/step, 3.40363 hours remaining, 207.566406 MB of memory in use. ENERGY: 771000 751.3223 2029.9302 1925.0166 122.8243 -206615.9142 17924.5108 0.0000 0.0000 34305.5640 -149556.7461 299.5990 -183862.3101 -149455.6652 297.8427 33.1136 63.8693 556180.2833 -5.5345 -5.5060 PRESSURE: 771200 -91.5014 -70.6943 -69.7745 -70.6957 -121.792 31.4649 -69.7753 31.4641 55.317 GPRESSURE: 771200 -25.2834 -69.5138 -54.3923 11.6102 -133.026 37.6678 -105.943 84.1448 100.227 PRESSAVG: 771200 -46.3689 12.7208 16.7426 12.7209 10.1894 -25.0416 16.7425 -25.0416 55.7727 GPRESSAVG: 771200 -45.867 13.8777 15.4964 12.6591 9.95203 -24.5754 16.9744 -25.0928 55.9029 TIMING: 771200 CPU: 2233.26, 0.00292115/step Wall: 2233.26, 0.00292115/step, 3.43137 hours remaining, 207.566406 MB of memory in use. ENERGY: 771200 740.4645 2045.5125 1915.6578 117.7972 -206511.3965 17809.4016 0.0000 0.0000 34358.1046 -149524.4584 300.0579 -183882.5630 -149432.4117 297.7616 -52.6587 -19.3610 557528.3775 6.5311 6.6627 PRESSURE: 771400 -115.081 -73.9254 49.3553 -73.9253 114.932 -76.6903 49.3539 -76.6912 223.892 GPRESSURE: 771400 -63.5837 -101.768 -44.5255 -78.1766 142.883 -220.228 108.35 -86.5593 242.624 PRESSAVG: 771400 -15.5393 15.8287 42.861 15.8287 33.889 -67.2614 42.8609 -67.2615 -10.9677 GPRESSAVG: 771400 -16.2225 14.5207 44.2183 14.9746 35.6982 -69.0339 43.2642 -67.0099 -11.7888 TIMING: 771400 CPU: 2233.84, 0.00289866/step Wall: 2233.84, 0.00289866/step, 3.4048 hours remaining, 207.566406 MB of memory in use. ENERGY: 771400 743.0873 2089.9511 1916.1259 119.4054 -206250.6029 17886.3440 0.0000 0.0000 34312.9809 -149182.7082 299.6638 -183495.6891 -149084.3687 297.9739 74.5810 107.3077 557531.9693 2.4607 2.5623 PRESSURE: 771600 -22.0047 123.959 109.506 123.96 243.472 48.9418 109.506 48.9432 47.9568 GPRESSURE: 771600 -26.8925 127.228 152.796 120.221 277.273 23.9969 117.747 59.7719 122.052 PRESSAVG: 771600 -42.0245 -1.14139 12.4519 -1.1414 88.1363 -82.3324 12.4518 -82.3323 -39.6193 GPRESSAVG: 771600 -42.2168 -0.892071 11.6681 1.15863 87.236 -81.6142 14.3434 -78.8632 -38.3707 TIMING: 771600 CPU: 2234.42, 0.00290034/step Wall: 2234.42, 0.00290034/step, 3.4066 hours remaining, 207.566406 MB of memory in use. ENERGY: 771600 766.3106 2063.4813 1940.6742 114.4149 -206028.3037 17767.9589 0.0000 0.0000 33995.1595 -149380.3042 296.8882 -183375.4637 -149283.5115 298.2738 89.8080 124.1441 557940.2252 2.1642 2.2162 PRESSURE: 771800 -179.185 102.256 -94.8415 102.255 -98.7221 -73.5448 -94.8426 -73.5442 -230.221 GPRESSURE: 771800 -107.431 99.3474 -29.7725 125.424 -77.2559 -119.218 -77.8591 19.4082 -225.216 PRESSAVG: 771800 19.383 22.9813 37.2042 22.9812 -16.5281 -73.6551 37.2042 -73.6551 -1.22164 GPRESSAVG: 771800 21.3636 21.3208 37.574 22.1375 -17.3733 -72.7496 35.6209 -75.4378 -1.90988 TIMING: 771800 CPU: 2235, 0.00290249/step Wall: 2235, 0.00290249/step, 3.40898 hours remaining, 207.566406 MB of memory in use. ENERGY: 771800 739.8357 2113.9951 1918.8171 107.2962 -205785.7811 17437.3968 0.0000 0.0000 34129.0044 -149339.4358 298.0571 -183468.4402 -149250.7502 298.5157 -169.3759 -136.6343 557392.5614 0.5444 0.6935 PRESSURE: 772000 50.0197 -67.9196 -160.281 -67.919 54.1912 -0.518954 -160.28 -0.517325 -108.636 GPRESSURE: 772000 55.7833 -75.571 -188.513 -72.8076 67.6035 -26.4231 -82.0495 8.6501 -33.9 PRESSAVG: 772000 -15.4494 -15.6999 -23.2202 -15.6999 12.5326 -20.1476 -23.2202 -20.1475 36.1101 GPRESSAVG: 772000 -16.835 -13.098 -25.1814 -16.7114 12.477 -20.5452 -22.8248 -20.157 37.8823 TIMING: 772000 CPU: 2235.58, 0.00293156/step Wall: 2235.58, 0.00293156/step, 3.44295 hours remaining, 207.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 772000 747.2431 2089.8173 1931.6086 106.7258 -206083.2170 17766.7464 0.0000 0.0000 34068.9295 -149372.1463 297.5324 -183441.0758 -149278.7465 298.3107 -1.4749 29.8289 558729.7317 11.0645 11.1748 PRESSURE: 772200 68.9596 -72.9439 23.3593 -72.9444 -81.3595 163.464 23.3598 163.465 6.0616 GPRESSURE: 772200 37.0854 -12.5625 44.5764 -217.267 -0.0446332 241.85 -143.341 95.9146 35.8911 PRESSAVG: 772200 -8.3296 24.3415 -27.8743 24.3416 -14.541 -11.1782 -27.8743 -11.1782 14.2234 GPRESSAVG: 772200 -8.6884 22.5387 -25.7061 25.1799 -12.6534 -12.0872 -29.5862 -10.9658 12.3594 TIMING: 772200 CPU: 2236.17, 0.00290913/step Wall: 2236.17, 0.00290913/step, 3.41645 hours remaining, 207.566406 MB of memory in use. ENERGY: 772200 728.1437 2095.5600 1924.3002 119.8174 -206405.2427 17942.8527 0.0000 0.0000 34187.0103 -149407.5584 298.5637 -183594.5687 -149309.8740 298.3890 -2.1128 24.3106 557444.6109 -2.8824 -2.9941 LDB: ============= START OF LOAD BALANCING ============== 2239.55 LDB: ============== END OF LOAD BALANCING =============== 2239.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2239.56 LDB: ============= START OF LOAD BALANCING ============== 2239.85 LDB: Largest compute 4820 load 0.027727 is 23.5% of average load 0.117943 LDB: Average compute 0.001713 is 1.5% of average load 0.117943 LDB: TIME 2239.85 LOAD: AVG 0.117943 MAX 0.187894 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.855 MB LDB: TIME 2239.85 LOAD: AVG 0.117943 MAX 0.187894 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: TIME 2239.85 LOAD: AVG 0.117943 MAX 0.187894 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: ============== END OF LOAD BALANCING =============== 2239.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2239.86 PRESSURE: 772400 -28.1113 126.547 -13.7806 126.546 -205.686 -110.709 -13.7819 -110.71 83.4559 GPRESSURE: 772400 17.3367 75.6061 20.7373 110.031 -204.473 -160.711 72.5663 -162.223 138.464 PRESSAVG: 772400 30.9252 43.2412 12.9384 43.2411 5.89759 12.9235 12.9384 12.9235 15.6485 GPRESSAVG: 772400 31.686 41.1303 13.4459 46.4202 4.49343 14.6581 14.5803 11.4152 16.5725 TIMING: 772400 CPU: 2236.76, 0.0029738/step Wall: 2236.76, 0.00297379/step, 3.49223 hours remaining, 206.761719 MB of memory in use. ENERGY: 772400 722.1851 2070.8983 1925.9073 107.4438 -206151.7326 17727.8436 0.0000 0.0000 34210.6088 -149386.8458 298.7698 -183597.4545 -149289.6073 298.3873 -50.1137 -16.2238 557602.1491 17.4904 17.5840 PRESSURE: 772600 103.793 -113.491 -65.5232 -113.49 93.4176 102.325 -65.5223 102.325 -108.895 GPRESSURE: 772600 101.618 -107.002 -64.8771 -113.974 118.673 47.2555 -54.0263 173.332 -50.8993 PRESSAVG: 772600 30.4569 31.4397 -42.4187 31.4397 -28.2228 -7.54063 -42.4186 -7.54059 -1.34328 GPRESSAVG: 772600 29.64 31.8588 -42.2516 30.0682 -27.3916 -10.8061 -43.4381 -7.3669 -1.60598 TIMING: 772600 CPU: 2237.34, 0.00289601/step Wall: 2237.34, 0.00289601/step, 3.40072 hours remaining, 206.761719 MB of memory in use. ENERGY: 772600 761.3261 2075.1234 1936.4274 106.6093 -205976.7782 17752.6203 0.0000 0.0000 34039.7257 -149304.9460 297.2774 -183344.6717 -149208.3232 298.6854 29.4385 56.4640 557282.2598 0.2969 0.2141 PRESSURE: 772800 -51.4251 -47.0906 26.8479 -47.0905 -8.84058 -63.2533 26.8467 -63.2532 97.8108 GPRESSURE: 772800 -9.38166 -33.6573 38.5434 -76.9614 4.12492 -2.91817 8.44007 -131.69 142.809 PRESSAVG: 772800 1.15126 -1.7072 -26.9891 -1.70721 -58.3702 -3.61698 -26.9891 -3.61699 53.4123 GPRESSAVG: 772800 1.5331 1.33103 -30.7109 -3.42971 -59.025 -2.17564 -25.367 -3.35997 53.1025 TIMING: 772800 CPU: 2237.92, 0.00289583/step Wall: 2237.92, 0.00289583/step, 3.40035 hours remaining, 206.761719 MB of memory in use. ENERGY: 772800 751.7621 2072.1391 1963.1590 118.7056 -206549.9835 17940.9586 0.0000 0.0000 34373.2904 -149329.9688 300.1905 -183703.2592 -149242.7107 299.0376 12.5151 45.8506 557816.4831 -1.2689 -1.4631 PRESSURE: 773000 60.7362 -113.13 171.093 -113.13 -132.847 57.3916 171.094 57.3928 -166.656 GPRESSURE: 773000 115.335 -86.9575 179.314 -156.36 -111.676 -16.4187 53.6332 42.5753 -143.003 PRESSAVG: 773000 -32.0057 30.4825 -65.9384 30.4826 41.898 35.7096 -65.9384 35.7096 15.5403 GPRESSAVG: 773000 -31.0646 28.904 -63.4151 31.9651 41.6152 35.9458 -66.4118 35.4869 14.8305 TIMING: 773000 CPU: 2238.5, 0.0029039/step Wall: 2238.5, 0.0029039/step, 3.40967 hours remaining, 206.761719 MB of memory in use. ENERGY: 773000 760.7667 2075.3090 1944.3628 118.8517 -206335.4848 17757.3919 0.0000 0.0000 34513.9284 -149164.8742 301.4187 -183678.8027 -149059.2938 299.4745 -79.5887 -46.4477 558519.0139 8.4775 8.4604 PRESSURE: 773200 82.0939 3.91816 -60.6597 3.91896 -275.988 17.7448 -60.6618 17.7448 28.9962 GPRESSURE: 773200 66.9042 8.95256 -55.0478 13.8592 -190.58 -45.5953 -12.1858 61.3781 50.0962 PRESSAVG: 773200 -60.3525 -20.6913 2.83705 -20.6914 30.4607 -12.9337 2.83704 -12.9337 -25.4482 GPRESSAVG: 773200 -60.7615 -22.343 1.78921 -19.003 30.1194 -12.0346 2.86448 -12.4555 -24.5677 TIMING: 773200 CPU: 2239.08, 0.00289685/step Wall: 2239.08, 0.00289685/step, 3.40122 hours remaining, 206.761719 MB of memory in use. ENERGY: 773200 783.4577 2100.1375 1945.7138 113.2761 -205976.6649 17750.9969 0.0000 0.0000 34153.4943 -149129.5885 298.2710 -183283.0828 -149025.9494 299.9896 -54.9660 -24.5265 558133.6768 -18.4467 -18.4033 PRESSURE: 773400 20.2023 66.0589 72.8345 66.0602 193.13 17.9952 72.8347 17.9955 93.0323 GPRESSURE: 773400 57.2812 74.0495 64.5806 49.375 235.051 13.2895 127.713 25.3628 114.624 PRESSAVG: 773400 -46.5277 -38.3886 21.4402 -38.3886 -7.68542 -4.73564 21.4401 -4.73568 39.9464 GPRESSAVG: 773400 -46.485 -37.1919 21.661 -41.0445 -7.76555 -6.00267 22.9316 -4.2965 39.2169 TIMING: 773400 CPU: 2239.66, 0.00290829/step Wall: 2239.66, 0.00290829/step, 3.41449 hours remaining, 206.761719 MB of memory in use. ENERGY: 773400 753.8903 2127.9146 1949.9439 98.8543 -206073.3966 18061.8329 0.0000 0.0000 34149.2761 -148931.6845 298.2341 -183080.9605 -148842.7833 300.1022 102.1215 135.6517 557629.9907 -4.7556 -5.0112 PRESSURE: 773600 -50.5504 79.0333 -61.1831 79.0329 -54.0051 -169.132 -61.1839 -169.133 142.419 GPRESSURE: 773600 -47.2112 15.9823 -151.884 151.349 -14.1268 -129.855 -59.5601 -197.424 193.302 PRESSAVG: 773600 10.3654 -20.5293 -43.8997 -20.5293 -31.1483 -26.1983 -43.8997 -26.1983 -17.6223 GPRESSAVG: 773600 9.53397 -19.806 -40.7552 -19.3739 -30.3313 -26.7259 -45.3247 -26.6436 -16.9964 TIMING: 773600 CPU: 2240.24, 0.00291076/step Wall: 2240.24, 0.00291076/step, 3.41723 hours remaining, 206.761719 MB of memory in use. ENERGY: 773600 748.8877 2115.3555 1919.9793 107.3899 -205971.7588 17764.7179 0.0000 0.0000 34208.8861 -149106.5424 298.7547 -183315.4285 -149007.6942 299.2604 12.6212 43.9879 558055.5978 -12.8018 -12.5979 PRESSURE: 773800 -462.32 -23.5119 49.9435 -23.5121 -114.638 -50.1346 49.9454 -50.1354 -428.186 GPRESSURE: 773800 -442.689 30.0832 39.5696 35.8278 -106.76 1.02991 20.6273 -12.4594 -377.008 PRESSAVG: 773800 -35.4263 -0.475779 24.0003 -0.475718 -23.0151 54.0188 24.0004 54.0189 33.0749 GPRESSAVG: 773800 -35.3617 -0.563619 22.153 -1.50901 -23.3161 54.0574 24.2508 55.0388 32.7907 TIMING: 773800 CPU: 2240.82, 0.00288945/step Wall: 2240.82, 0.00288945/step, 3.39206 hours remaining, 206.761719 MB of memory in use. ENERGY: 773800 751.5853 2098.7082 1963.4211 112.7196 -205430.1014 17296.7986 0.0000 0.0000 34250.0155 -148956.8531 299.1139 -183206.8686 -148858.4812 299.2761 -335.0481 -308.8188 560380.7193 -8.4555 -8.6290 PRESSURE: 774000 -326.688 193.708 -141.621 193.707 -27.6838 -134.867 -141.621 -134.868 -191.299 GPRESSURE: 774000 -246.157 297.592 -74.6544 152.498 -39.364 -159.292 -156.504 -143.916 -149.809 PRESSAVG: 774000 -23.6971 -49.3672 -33.0728 -49.3673 5.50907 -3.04142 -33.0728 -3.04138 36.6398 GPRESSAVG: 774000 -23.52 -50.0174 -33.8496 -48.3619 5.29379 -2.6524 -32.6216 -2.64066 36.7358 TIMING: 774000 CPU: 2241.4, 0.00291698/step Wall: 2241.4, 0.00291698/step, 3.42421 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 774000 780.0505 2069.0732 1945.4482 114.1151 -205750.7091 17650.8039 0.0000 0.0000 34093.5660 -149097.6523 297.7476 -183191.2183 -148996.0433 299.2221 -181.8901 -145.1099 558689.8623 6.1506 6.1699 PRESSURE: 774200 39.9288 91.5734 -14.0933 91.5751 -163.615 20.8656 -14.0924 20.8653 -238.433 GPRESSURE: 774200 18.1737 112.266 -23.2447 156.096 -79.92 40.5507 -2.23055 35.3928 -204.695 PRESSAVG: 774200 -7.86467 12.9936 35.4649 12.9936 -4.87154 -18.2808 35.4649 -18.2807 23.3506 GPRESSAVG: 774200 -8.4683 15.2681 36.0353 10.0925 -5.07747 -17.9555 34.641 -20.4464 23.9331 TIMING: 774200 CPU: 2241.99, 0.0029082/step Wall: 2241.99, 0.0029082/step, 3.41374 hours remaining, 206.761719 MB of memory in use. ENERGY: 774200 783.5565 2057.7705 1980.4704 115.1932 -206136.4642 17602.4241 0.0000 0.0000 34358.8903 -149238.1592 300.0647 -183597.0495 -149135.7932 299.1440 -120.7063 -88.8139 557081.5164 3.5381 3.4624 PRESSURE: 774400 -179.398 -121.728 44.5541 -121.729 26.261 -27.2808 44.5532 -27.2801 -99.5963 GPRESSURE: 774400 -96.8219 -195.004 18.7115 -58.9448 10.3448 -30.4867 86.8063 -32.2884 -84.1184 PRESSAVG: 774400 -42.9862 -17.0933 -22.5926 -17.0934 -26.3613 17.0659 -22.5926 17.0658 62.4122 GPRESSAVG: 774400 -42.6553 -18.1505 -22.0977 -16.2114 -26.9451 17.1584 -22.3219 16.1569 62.2382 TIMING: 774400 CPU: 2242.57, 0.00291886/step Wall: 2242.57, 0.00291886/step, 3.4261 hours remaining, 206.761719 MB of memory in use. ENERGY: 774400 758.6855 2149.7621 1937.4553 117.5831 -206118.6507 17709.6649 0.0000 0.0000 34309.5372 -149135.9627 299.6337 -183445.4999 -149041.6584 299.0299 -84.2443 -56.8652 556660.3786 -2.3118 -2.4541 PRESSURE: 774600 -75.6881 49.9412 -235.13 49.9418 158 33.7031 -235.13 33.703 441.004 GPRESSURE: 774600 -37.4877 -37.7812 -256.755 124.801 168.717 -7.02982 -217.609 109.421 474.404 PRESSAVG: 774600 13.5634 -48.5596 15.4061 -48.5595 8.44562 -2.92135 15.4062 -2.92125 14.706 GPRESSAVG: 774600 14.2138 -48.8934 16.1405 -48.0936 8.75296 -1.90414 15.5861 -1.58291 13.3773 TIMING: 774600 CPU: 2243.15, 0.00290701/step Wall: 2243.15, 0.00290701/step, 3.41202 hours remaining, 206.761719 MB of memory in use. ENERGY: 774600 735.5376 2064.2882 1982.6061 122.2811 -206279.5799 17963.1367 0.0000 0.0000 34300.5260 -149111.2042 299.5550 -183411.7302 -149012.8219 298.6296 174.4385 201.8778 557136.3503 12.2383 12.1147 PRESSURE: 774800 -276.005 9.2558 -55.6361 9.25495 -22.9403 -18.2643 -55.636 -18.263 -24.0114 GPRESSURE: 774800 -280.355 2.68239 -81.3263 6.50147 52.229 -38.4117 -40.2853 -41.7091 8.48439 PRESSAVG: 774800 9.4606 -32.4152 -3.75813 -32.4153 34.827 9.4843 -3.75813 9.48436 -8.00149 GPRESSAVG: 774800 8.10529 -35.1715 -3.60731 -30.1077 36.433 8.63235 -3.20105 10.7439 -8.01959 TIMING: 774800 CPU: 2243.73, 0.00291104/step Wall: 2243.73, 0.00291104/step, 3.41659 hours remaining, 206.761719 MB of memory in use. ENERGY: 774800 741.9987 2110.2858 1980.1154 127.9062 -205668.5658 17487.7729 0.0000 0.0000 33996.5597 -149223.9271 296.9004 -183220.4867 -149134.2798 298.9207 -107.6523 -73.2139 556646.1001 12.0954 12.1729 PRESSURE: 775000 -187.064 -17.2974 10.1987 -17.2965 306.154 -98.1422 10.1992 -98.1437 206.052 GPRESSURE: 775000 -143.766 -67.2981 1.69135 26.6434 340.318 -166.677 28.2751 -61.784 230.142 PRESSAVG: 775000 -77.1131 68.735 -3.84617 68.735 46.9293 -11.9054 -3.84622 -11.9055 38.2893 GPRESSAVG: 775000 -77.3719 70.5158 -3.35841 67.423 46.326 -12.8402 -4.45497 -12.0579 38.466 TIMING: 775000 CPU: 2244.31, 0.00290017/step Wall: 2244.31, 0.00290017/step, 3.40367 hours remaining, 206.761719 MB of memory in use. ENERGY: 775000 721.9754 2090.4983 1988.4604 127.1775 -206298.6699 17814.3787 0.0000 0.0000 34237.5426 -149318.6372 299.0050 -183556.1797 -149230.5472 298.6968 108.3809 142.2315 556223.8947 2.7018 2.4734 PRESSURE: 775200 67.486 30.3244 52.5219 30.3237 -76.6919 -26.2583 52.5223 -26.2582 116.274 GPRESSURE: 775200 86.2998 -17.9492 27.0018 24.3453 -50.4637 111.235 45.8153 -91.3762 161.771 PRESSAVG: 775200 -46.1672 -8.52786 16.0602 -8.52791 -53.9585 20.402 16.0603 20.402 87.9804 GPRESSAVG: 775200 -44.4295 -6.16128 15.7626 -10.2231 -55.843 22.2815 16.2978 20.5721 88.5783 TIMING: 775200 CPU: 2244.9, 0.00291115/step Wall: 2244.9, 0.00291115/step, 3.4164 hours remaining, 206.761719 MB of memory in use. ENERGY: 775200 746.6458 2129.3289 1975.8667 114.6008 -206293.3902 17808.7009 0.0000 0.0000 34138.9275 -149379.3196 298.1437 -183518.2471 -149289.4659 298.5793 35.6893 65.8690 557132.7038 -4.0484 -3.8981 PRESSURE: 775400 64.7499 12.2884 -115.806 12.2874 62.6745 -125.876 -115.805 -125.875 54.6413 GPRESSURE: 775400 128.192 28.3489 -55.5971 0.174241 126.641 -214.284 -106.468 -72.9958 14.7509 PRESSAVG: 775400 52.6485 0.734148 -10.9813 0.734193 -40.9518 -45.6836 -10.9812 -45.6836 49.141 GPRESSAVG: 775400 51.5842 -1.38306 -10.2609 -0.365256 -39.6793 -47.4635 -11.8652 -44.3064 48.4426 TIMING: 775400 CPU: 2245.48, 0.00289885/step Wall: 2245.48, 0.00289885/step, 3.4018 hours remaining, 206.761719 MB of memory in use. ENERGY: 775400 763.6200 2053.4444 1938.4061 109.6058 -206632.7931 18063.2811 0.0000 0.0000 34406.5977 -149297.8380 300.4814 -183704.4357 -149208.8355 299.2032 60.6886 89.8613 557447.3806 20.2792 20.1158 PRESSURE: 775600 78.4368 66.9721 35.0105 66.9723 -284.776 -52.7603 35.0107 -52.7601 -134.946 GPRESSURE: 775600 109.848 55.8843 43.5439 53.4935 -209.623 -64.4118 81.1596 -21.1808 -147.573 PRESSAVG: 775600 -8.30569 -17.3093 -0.259396 -17.3094 42.8015 -39.5963 -0.259417 -39.5963 -30.596 GPRESSAVG: 775600 -8.38216 -16.8186 -1.6699 -15.2569 43.1467 -37.6127 0.257285 -41.4498 -30.9962 TIMING: 775600 CPU: 2246.05, 0.00288975/step Wall: 2246.05, 0.00288975/step, 3.39096 hours remaining, 206.761719 MB of memory in use. ENERGY: 775600 758.7198 2093.8503 1925.6568 110.5588 -205803.8501 17587.1028 0.0000 0.0000 34161.9029 -149166.0588 298.3444 -183327.9616 -149076.4871 299.6698 -113.7617 -82.4491 559366.1175 1.3000 1.2561 PRESSURE: 775800 -60.1539 208.633 -37.9635 208.633 -73.6316 -216.558 -37.9632 -216.558 102.017 GPRESSURE: 775800 -57.8524 280.704 17.3424 228.33 -7.32326 -241.459 -43.036 -322.798 124.936 PRESSAVG: 775800 -42.8668 3.47903 -29.7524 3.47906 44.2669 -13.0012 -29.7523 -13.0011 -52.0236 GPRESSAVG: 775800 -43.9032 1.93116 -29.0593 5.89553 44.3659 -13.2449 -28.0357 -11.0249 -51.8 TIMING: 775800 CPU: 2246.64, 0.00291542/step Wall: 2246.64, 0.00291542/step, 3.42092 hours remaining, 206.761719 MB of memory in use. ENERGY: 775800 751.3525 2138.0464 1955.9538 129.5201 -206435.4880 17975.1541 0.0000 0.0000 34372.0936 -149113.3677 300.1800 -183485.4613 -149011.5271 299.6493 -10.5894 19.9200 559484.6918 -16.8745 -17.1124 PRESSURE: 776000 177.636 -59.4635 4.51923 -59.4642 167.018 269.77 4.51949 269.77 218.308 GPRESSURE: 776000 253.202 15.836 -29.3335 -52.6687 171.127 279.484 64.3282 215.815 235.953 PRESSAVG: 776000 2.46262 5.24469 0.00401736 5.24466 108.119 -50.3732 0.00406539 -50.3732 -26.0536 GPRESSAVG: 776000 3.92746 5.85737 -2.57878 3.82511 107.147 -48.6726 0.0836019 -53.5703 -26.5483 TIMING: 776000 CPU: 2247.21, 0.00288817/step Wall: 2247.21, 0.00288817/step, 3.38878 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 776000 792.9470 2067.6016 1948.5942 119.6956 -206321.5665 18046.7728 0.0000 0.0000 34276.6453 -149069.3099 299.3465 -183345.9552 -148977.2006 299.6947 187.6539 220.0940 557158.5916 28.1760 28.1755 PRESSURE: 776200 -96.2317 26.7626 -44.6941 26.7623 -39.1865 92.2782 -44.6934 92.2784 -22.0071 GPRESSURE: 776200 -30.4966 -19.9453 -90.7481 104.502 21.0737 33.8768 54.3941 -23.4617 -45.8631 PRESSAVG: 776200 16.1662 -15.4592 35.3002 -15.4593 -42.1953 -6.57695 35.3002 -6.577 -15.1729 GPRESSAVG: 776200 15.8375 -15.6636 35.7481 -16.6946 -42.3814 -7.91102 35.472 -7.85255 -14.8298 TIMING: 776200 CPU: 2247.79, 0.0028823/step Wall: 2247.79, 0.0028823/step, 3.38174 hours remaining, 206.761719 MB of memory in use. ENERGY: 776200 725.6213 2078.2353 1945.3160 114.8369 -206200.0893 17826.2275 0.0000 0.0000 34424.5005 -149085.3519 300.6377 -183509.8523 -148990.1770 299.7725 -52.4751 -18.4287 558723.2098 -13.7340 -13.7912 LDB: ============= START OF LOAD BALANCING ============== 2251.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2251.18 LDB: =============== DONE WITH MIGRATION ================ 2251.18 LDB: ============= START OF LOAD BALANCING ============== 2251.47 LDB: Largest compute 4820 load 0.027209 is 23.1% of average load 0.117853 LDB: Average compute 0.001719 is 1.5% of average load 0.117853 LDB: TIME 2251.47 LOAD: AVG 0.117853 MAX 0.18719 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.562 MB LDB: TIME 2251.47 LOAD: AVG 0.117853 MAX 0.18719 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: TIME 2251.47 LOAD: AVG 0.117853 MAX 0.18719 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: ============== END OF LOAD BALANCING =============== 2251.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2251.48 PRESSURE: 776400 81.817 264.642 -128.76 264.642 40.7314 20.2366 -128.76 20.2355 25.4073 GPRESSURE: 776400 141.97 263.595 -102.663 214.001 60.7519 -3.94987 20.2965 24.0152 52.8467 PRESSAVG: 776400 21.2381 18.686 42.8248 18.686 22.4301 11.5507 42.8247 11.5508 -17.4405 GPRESSAVG: 776400 21.2637 20.1638 44.1776 18.574 22.3451 10.8738 42.6178 14.9055 -17.272 TIMING: 776400 CPU: 2248.38, 0.00295114/step Wall: 2248.38, 0.00295114/step, 3.46234 hours remaining, 207.843750 MB of memory in use. ENERGY: 776400 754.2192 2137.4061 1948.0067 118.4384 -206324.3997 17972.8131 0.0000 0.0000 34321.3465 -149072.1698 299.7369 -183393.5163 -148972.4996 300.0057 49.3186 85.1895 558035.9529 8.7426 8.7789 PRESSURE: 776600 -278.865 -62.4777 -26.4959 -62.4783 -266.767 -11.4897 -26.4963 -11.4889 -45.3142 GPRESSURE: 776600 -211.42 -42.1818 28.2095 -105.482 -225.957 5.09043 6.37342 -33.1077 -69.7127 PRESSAVG: 776600 11.3561 8.16086 10.5257 8.16096 -22.8381 -12.1374 10.5256 -12.1374 -1.27519 GPRESSAVG: 776600 11.5389 7.83843 10.7844 9.11465 -22.9259 -13.3341 10.1511 -12.8679 -1.66989 TIMING: 776600 CPU: 2248.96, 0.00289848/step Wall: 2248.96, 0.00289848/step, 3.4004 hours remaining, 208.046875 MB of memory in use. ENERGY: 776600 764.1605 2124.8553 1963.7575 112.5950 -205935.6189 17615.5098 0.0000 0.0000 34274.8237 -149079.9171 299.3306 -183354.7408 -148979.8858 300.2790 -196.9822 -169.0300 560410.2208 -4.2524 -4.3523 PRESSURE: 776800 -204.574 17.3564 52.1863 17.3581 -163.507 83.0853 52.1856 83.0857 -215.408 GPRESSURE: 776800 -167.637 71.3139 51.44 -16.8409 -143.378 53.1856 92.2271 -4.67062 -173.054 PRESSAVG: 776800 47.8144 -30.0024 23.1351 -30.0024 -77.0715 -48.3901 23.1349 -48.3901 -3.68914 GPRESSAVG: 776800 45.9777 -31.9338 21.7026 -28.7758 -75.4704 -47.4587 21.9337 -48.5106 -3.138 TIMING: 776800 CPU: 2249.54, 0.00291322/step Wall: 2249.54, 0.00291322/step, 3.41754 hours remaining, 208.046875 MB of memory in use. ENERGY: 776800 771.4966 2104.5738 1966.7036 119.2660 -206063.7331 17587.0997 0.0000 0.0000 34525.2322 -148989.3613 301.5174 -183514.5935 -148895.2731 300.2644 -194.4963 -161.3563 558571.6150 -10.9821 -10.8769 PRESSURE: 777000 9.73003 -2.26948 -61.2225 -2.26837 64.7773 -41.1128 -61.2225 -41.1133 -147.451 GPRESSURE: 777000 19.2003 -43.2265 1.94702 69.7341 44.5722 39.5753 -70.2947 -2.37863 -55.4382 PRESSAVG: 777000 -10.4177 26.3611 47.5758 26.361 26.461 -3.03078 47.5757 -3.03067 -9.84156 GPRESSAVG: 777000 -9.82744 27.4765 49.8865 25.3664 25.3587 -2.02519 46.7626 -4.20669 -9.9778 TIMING: 777000 CPU: 2250.12, 0.00290077/step Wall: 2250.12, 0.00290077/step, 3.40277 hours remaining, 208.046875 MB of memory in use. ENERGY: 777000 738.9609 2112.9318 1957.2959 113.4612 -206348.3055 17787.7348 0.0000 0.0000 34349.2219 -149288.6989 299.9803 -183637.9209 -149190.4922 299.8495 -24.3145 2.7781 557248.5334 2.0673 1.8511 PRESSURE: 777200 61.099 37.3522 -16.4198 37.3525 -219.222 213.013 -16.4195 213.015 95.7371 GPRESSURE: 777200 28.7622 40.4999 -31.5156 149.596 -182.92 240.01 74.5906 166.653 178.233 PRESSAVG: 777200 -20.0445 -0.53716 25.9591 -0.537158 -29.2992 -17.5263 25.9591 -17.5263 15.3497 GPRESSAVG: 777200 -20.4878 -0.330541 22.7849 -1.75111 -29.4538 -17.429 29.2631 -18.021 15.6901 TIMING: 777200 CPU: 2250.7, 0.00287884/step Wall: 2250.7, 0.00287884/step, 3.37688 hours remaining, 208.046875 MB of memory in use. ENERGY: 777200 742.9720 2108.7600 1945.7281 111.9677 -206531.0764 17994.8604 0.0000 0.0000 34205.9724 -149420.8158 298.7293 -183626.7882 -149327.6348 299.0577 -20.7951 8.0251 558193.7551 -11.3313 -11.4171 PRESSURE: 777400 -50.0085 69.3165 74.8756 69.3155 -187.923 -138.704 74.8752 -138.704 100.527 GPRESSURE: 777400 65.2568 113.436 54.7321 -40.74 -180.335 -154.458 90.9953 -112.769 74.7874 PRESSAVG: 777400 -44.7022 6.7556 -23.555 6.75566 -2.55947 -51.2636 -23.5551 -51.2635 -14.2631 GPRESSAVG: 777400 -43.9864 6.65811 -21.0843 5.97147 -2.74806 -50.406 -25.7063 -49.8656 -14.6402 TIMING: 777400 CPU: 2251.28, 0.002894/step Wall: 2251.28, 0.002894/step, 3.3945 hours remaining, 208.046875 MB of memory in use. ENERGY: 777400 742.9790 2125.3493 1949.6176 130.6891 -206617.4279 17956.6007 0.0000 0.0000 34241.6195 -149470.5727 299.0406 -183712.1922 -149374.2707 299.3501 -45.8015 -13.4304 559603.8668 -20.5082 -20.4582 PRESSURE: 777600 39.6707 -56.3738 -27.3538 -56.3749 117.466 -130.614 -27.3542 -130.614 -94.9728 GPRESSURE: 777600 118.073 -129.488 -9.48166 35.5711 130.769 -165.833 -32.0472 -96.6107 -83.6677 PRESSAVG: 777600 20.2372 -15.2844 -2.35671 -15.2844 24.9273 -26.5907 -2.35679 -26.5907 -29.1222 GPRESSAVG: 777600 19.814 -14.3816 -3.49094 -14.3039 25.4749 -30.0852 -2.41065 -26.0401 -29.5646 TIMING: 777600 CPU: 2251.85, 0.00288324/step Wall: 2251.85, 0.00288324/step, 3.38172 hours remaining, 208.046875 MB of memory in use. ENERGY: 777600 745.9954 2126.7289 1943.5619 109.9742 -206505.6714 17905.6924 0.0000 0.0000 34005.7444 -149667.9741 296.9806 -183673.7185 -149567.6172 298.4429 20.7212 55.0581 557372.7811 5.3474 5.2414 PRESSURE: 777800 132.022 -64.4493 121.22 -64.4494 -168.083 21.7709 121.218 21.7731 -120.89 GPRESSURE: 777800 133.618 -52.209 185.218 22.9566 -155.703 -113.529 166.581 54.2526 -41.4086 PRESSAVG: 777800 -9.17126 4.23082 30.4014 4.23085 -2.34113 -45.468 30.4015 -45.468 -1.11167 GPRESSAVG: 777800 -9.31132 3.02816 31.9933 3.08825 -2.43552 -42.3579 31.6811 -47.2199 -0.83345 TIMING: 777800 CPU: 2252.43, 0.00288396/step Wall: 2252.43, 0.00288396/step, 3.38241 hours remaining, 208.046875 MB of memory in use. ENERGY: 777800 740.4810 2085.3038 1928.1395 93.4389 -206591.8114 17869.6310 0.0000 0.0000 34214.2256 -149660.5916 298.8013 -183874.8172 -149554.8558 297.5175 -52.3171 -21.1645 556420.9007 -4.2080 -4.1934 PRESSURE: 778000 -308.893 -13.0042 -14.5675 -13.0046 -243.881 -19.5283 -14.5686 -19.5286 -330.288 GPRESSURE: 778000 -291.005 -13.1302 -7.26013 -28.796 -249.214 37.2665 18.2167 -30.235 -255.483 PRESSAVG: 778000 -41.0517 -42.9283 27.4462 -42.9284 -28.1018 -16.5112 27.4462 -16.5111 14.5469 GPRESSAVG: 778000 -41.1547 -43.3866 28.2462 -42.3748 -27.9333 -17.077 27.333 -17.4655 14.6175 TIMING: 778000 CPU: 2253.01, 0.00288463/step Wall: 2253.01, 0.00288463/step, 3.38303 hours remaining, 208.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 778000 800.0531 2127.8635 1941.4132 123.7018 -206322.6492 17636.6178 0.0000 0.0000 33916.1384 -149776.8614 296.1981 -183692.9997 -149685.3717 298.2780 -294.3538 -265.2340 557837.7806 -18.2022 -18.1569 PRESSURE: 778200 -424.584 -147.511 31.7392 -147.512 -100.972 67.8249 31.739 67.8256 -59.0985 GPRESSURE: 778200 -342.523 -121.521 0.818971 -76.4995 -96.8332 38.8659 60.8621 52.4412 -48.2302 PRESSAVG: 778200 -23.9477 -16.4787 25.7124 -16.4788 34.201 -51.659 25.7124 -51.659 -10.0549 GPRESSAVG: 778200 -22.8438 -15.0116 23.1295 -14.0644 33.4316 -49.8941 24.7504 -50.5972 -10.1822 TIMING: 778200 CPU: 2253.59, 0.00288739/step Wall: 2253.59, 0.00288739/step, 3.38611 hours remaining, 208.046875 MB of memory in use. ENERGY: 778200 775.1867 2125.2631 1939.7485 109.5251 -206898.9874 17913.7960 0.0000 0.0000 34342.7509 -149692.7171 299.9238 -184035.4680 -149595.5039 298.5987 -194.8849 -162.5287 558040.8671 0.0662 0.1352 PRESSURE: 778400 -45.9341 -61.6122 -182.821 -61.6117 54.0341 11.7397 -182.82 11.7401 187.439 GPRESSURE: 778400 36.5172 -77.1367 -132.705 -106.949 67.4983 80.8701 -104.675 -18.3221 186.45 PRESSAVG: 778400 34.3639 -17.5231 -14.0744 -17.5232 -23.121 8.79796 -14.0744 8.79794 -8.5048 GPRESSAVG: 778400 33.3564 -18.6062 -14.2316 -18.4827 -22.8943 6.84063 -13.0451 7.53575 -8.54609 TIMING: 778400 CPU: 2254.16, 0.00287854/step Wall: 2254.16, 0.00287854/step, 3.37557 hours remaining, 208.046875 MB of memory in use. ENERGY: 778400 730.9822 2146.8811 1945.9240 105.5430 -206574.2575 18051.2896 0.0000 0.0000 34057.3623 -149536.2754 297.4314 -183593.6377 -149442.0716 298.5493 65.1796 96.8218 557052.5683 0.9127 0.6387 PRESSURE: 778600 -18.5037 -100.533 -108.397 -100.533 279.285 -151.395 -108.398 -151.394 -161.038 GPRESSURE: 778600 10.3406 -117.882 -114.684 -119.306 276.425 -163.27 -77.9698 -56.4538 -94.6069 PRESSAVG: 778600 -61.2423 1.88063 -43.8047 1.88066 4.37077 -11.6939 -43.8047 -11.6939 38.454 GPRESSAVG: 778600 -61.5124 2.38344 -45.9183 0.707444 6.4454 -11.2649 -44.8161 -11.8801 36.2898 TIMING: 778600 CPU: 2254.73, 0.00285069/step Wall: 2254.73, 0.00285069/step, 3.34276 hours remaining, 208.046875 MB of memory in use. ENERGY: 778600 734.1981 2117.6182 1928.5339 109.8965 -206474.7180 17934.3553 0.0000 0.0000 34158.3279 -149491.7882 298.3132 -183650.1160 -149393.5749 298.8864 33.2478 64.0530 557634.1816 -6.1392 -6.2591 PRESSURE: 778800 -20.6395 19.2994 -67.6049 19.2995 -201.531 -166.59 -67.6039 -166.59 -111.183 GPRESSURE: 778800 48.3983 -46.3248 -34.9364 2.22791 -182.308 -191.525 -167.976 -44.6343 -95.6499 PRESSAVG: 778800 -17.6635 31.8239 -55.8273 31.8239 -9.86331 -32.8054 -55.8273 -32.8053 -12.7273 GPRESSAVG: 778800 -17.5104 34.4792 -52.7691 29.5267 -11.408 -31.4747 -56.6508 -32.398 -11.146 TIMING: 778800 CPU: 2255.31, 0.00290064/step Wall: 2255.31, 0.00290064/step, 3.40116 hours remaining, 208.046875 MB of memory in use. ENERGY: 778800 789.7864 2088.2459 1950.8183 109.7486 -206121.3325 17680.9274 0.0000 0.0000 34230.6098 -149271.1962 298.9444 -183501.8060 -149177.0944 298.4290 -111.1180 -76.5198 558213.1154 -13.4180 -13.3548 PRESSURE: 779000 -302.161 -166.714 -4.24179 -166.714 -134.621 156.455 -4.24157 156.455 -322.776 GPRESSURE: 779000 -243.836 -208.874 22.1198 -215.475 -160.238 225.163 -0.920522 117.307 -256.672 PRESSAVG: 779000 -8.82817 -10.8722 -16.4625 -10.8722 -53.5044 -24.3988 -16.4625 -24.3988 37.8571 GPRESSAVG: 779000 -9.15853 -12.3918 -17.0421 -9.75752 -53.4892 -27.1979 -15.2436 -23.2909 38.0021 TIMING: 779000 CPU: 2255.89, 0.00290444/step Wall: 2255.89, 0.00290444/step, 3.40545 hours remaining, 208.046875 MB of memory in use. ENERGY: 779000 787.9289 2067.6608 1952.7607 113.4229 -206164.4892 17447.4834 0.0000 0.0000 34536.6108 -149258.6216 301.6168 -183795.2325 -149162.7668 299.5521 -253.1856 -220.2486 558009.9865 -8.1585 -8.2152 PRESSURE: 779200 88.4043 -186.234 -10.3874 -186.234 273.717 -16.1431 -10.3888 -16.1423 -32.6598 GPRESSURE: 779200 91.0932 -127.76 36.5396 -65.8559 271.182 -104.328 -37.8332 64.2872 62.9919 PRESSAVG: 779200 -15.5951 -28.7859 -32.5781 -28.7858 -24.8722 -12.9403 -32.578 -12.9402 41.3817 GPRESSAVG: 779200 -15.6969 -28.7314 -33.336 -26.8492 -25.0731 -12.2043 -34.2505 -12.7619 41.2864 TIMING: 779200 CPU: 2256.47, 0.0029081/step Wall: 2256.47, 0.0029081/step, 3.40959 hours remaining, 208.046875 MB of memory in use. ENERGY: 779200 751.5919 2035.5120 1948.3530 128.9648 -206391.8188 18015.4908 0.0000 0.0000 34222.6027 -149289.3037 298.8745 -183511.9064 -149189.2796 299.0699 109.8206 141.7557 556383.6050 0.3048 0.1721 PRESSURE: 779400 -130.903 47.2665 -124.974 47.267 219.208 -7.8458 -124.973 -7.84611 -75.1606 GPRESSURE: 779400 -92.0541 148.934 -91.6346 38.4903 301.316 34.9461 -112.433 -1.05763 -105.189 PRESSAVG: 779400 -38.826 -16.937 6.47733 -16.9368 40.2428 7.38152 6.4774 7.38155 23.8795 GPRESSAVG: 779400 -38.855 -16.4629 7.50043 -16.9575 40.0614 9.55504 8.1993 6.21701 23.5151 TIMING: 779400 CPU: 2257.05, 0.00289426/step Wall: 2257.05, 0.00289426/step, 3.3932 hours remaining, 208.046875 MB of memory in use. ENERGY: 779400 750.7784 2039.0485 1942.7497 120.2862 -206322.8916 17937.8219 0.0000 0.0000 34099.7124 -149432.4946 297.8013 -183532.2070 -149337.9346 298.3738 4.3815 34.6910 558850.2266 8.4321 8.2405 PRESSURE: 779600 99.6317 -213.027 85.101 -213.027 -150.485 153.636 85.1014 153.637 204.38 GPRESSURE: 779600 53.346 -143.839 74.0823 -251.495 -81.9727 251.146 61.3817 8.98061 272.6 PRESSAVG: 779600 -6.12556 5.23414 39.5849 5.23411 37.1079 -25.6296 39.5849 -25.6295 12.0143 GPRESSAVG: 779600 -7.03088 3.11403 38.4819 5.33152 38.3744 -26.5324 39.346 -24.6293 11.3976 TIMING: 779600 CPU: 2257.63, 0.0028944/step Wall: 2257.63, 0.0028944/step, 3.39321 hours remaining, 208.046875 MB of memory in use. ENERGY: 779600 744.3590 2106.2012 1944.9842 121.2931 -206350.8386 17945.4247 0.0000 0.0000 34245.8423 -149242.7340 299.0775 -183488.5764 -149147.9216 298.5764 51.1756 81.3243 556534.0067 14.3322 14.2470 PRESSURE: 779800 158.427 43.4934 34.1145 43.4949 -38.4449 -34.6515 34.114 -34.6519 -47.7677 GPRESSURE: 779800 185.281 41.2412 -20.2397 -17.7802 -11.0451 5.79896 23.8591 -12.7125 -21.9969 PRESSAVG: 779800 101.387 9.42418 -6.20225 9.42418 -39.1011 -36.1338 -6.20228 -36.1338 -68.2699 GPRESSAVG: 779800 101.62 12.3992 -5.24909 7.6027 -39.4307 -36.4493 -6.89927 -37.2444 -68.3414 TIMING: 779800 CPU: 2258.22, 0.00291612/step Wall: 2258.22, 0.00291612/step, 3.4185 hours remaining, 208.046875 MB of memory in use. ENERGY: 779800 712.9612 2071.2923 1947.4132 124.7807 -206569.7832 17917.7507 0.0000 0.0000 34402.0583 -149393.5269 300.4417 -183795.5852 -149298.7378 299.1579 24.0716 50.7462 557078.2565 -1.9947 -2.0508 PRESSURE: 780000 341.196 39.2701 -54.488 39.2701 320.042 123.582 -54.4871 123.579 253.589 GPRESSURE: 780000 378.108 -12.7522 -53.8152 76.8047 333.251 144.113 -50.7016 155.258 309.57 PRESSAVG: 780000 84.6852 -14.9093 -10.5899 -14.9094 -25.739 8.27151 -10.5898 8.27155 -26.4495 GPRESSAVG: 780000 84.8225 -17.0208 -10.2948 -12.5832 -28.1579 7.60135 -10.7692 8.20348 -24.7483 TIMING: 780000 CPU: 2258.8, 0.00292378/step Wall: 2258.8, 0.00292378/step, 3.42732 hours remaining, 208.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 780000 744.4001 2057.2539 1942.2134 123.5906 -206855.3696 18327.8324 0.0000 0.0000 34235.7247 -149424.3545 298.9891 -183660.0793 -149330.4998 299.1842 304.9423 340.3098 555598.1821 10.8322 10.6388 PRESSURE: 780200 -69.3546 94.109 15.9877 94.1085 -161.13 9.19182 15.9882 9.19236 51.5807 GPRESSURE: 780200 -61.801 131.319 50.2723 -39.9894 -140.774 20.868 12.0162 -18.6935 121.661 PRESSAVG: 780200 -7.64407 13.6138 21.9328 13.6139 -60.0491 66.3507 21.9327 66.3507 28.9529 GPRESSAVG: 780200 -7.11176 13.9985 19.619 11.4724 -59.1886 67.5034 23.8893 66.2401 27.4607 TIMING: 780200 CPU: 2259.38, 0.0028968/step Wall: 2259.38, 0.0028968/step, 3.39554 hours remaining, 208.046875 MB of memory in use. ENERGY: 780200 754.3156 2070.6095 1923.9059 113.5382 -206295.0524 17686.3247 0.0000 0.0000 34284.1827 -149462.1758 299.4123 -183746.3585 -149365.5359 298.4242 -59.6346 -26.9714 556675.3065 -12.9134 -12.9466 LDB: ============= START OF LOAD BALANCING ============== 2262.77 LDB: ============== END OF LOAD BALANCING =============== 2262.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2262.77 LDB: ============= START OF LOAD BALANCING ============== 2263.06 LDB: Largest compute 4820 load 0.028812 is 24.4% of average load 0.117912 LDB: Average compute 0.001709 is 1.4% of average load 0.117912 LDB: TIME 2263.06 LOAD: AVG 0.117912 MAX 0.185616 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.672 MB LDB: TIME 2263.06 LOAD: AVG 0.117912 MAX 0.185616 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.672 MB LDB: TIME 2263.06 LOAD: AVG 0.117912 MAX 0.185616 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.672 MB LDB: ============== END OF LOAD BALANCING =============== 2263.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2263.07 PRESSURE: 780400 -36.003 203.534 138.278 203.534 -4.36687 3.70762 138.277 3.70781 -168.123 GPRESSURE: 780400 -55.2808 206.923 163.159 191.952 3.70765 -25.4818 125.544 6.73557 -55.2822 PRESSAVG: 780400 -46.7922 -5.62617 1.59967 -5.62617 -41.418 4.55892 1.59954 4.55901 77.9818 GPRESSAVG: 780400 -47.9209 -5.00826 3.37875 -3.22155 -40.3654 3.06675 0.885324 4.66451 78.3181 TIMING: 780400 CPU: 2259.97, 0.00295793/step Wall: 2259.97, 0.00295793/step, 3.46702 hours remaining, 205.671875 MB of memory in use. ENERGY: 780400 705.6055 2062.0388 1902.1412 121.7388 -206227.1164 17652.7804 0.0000 0.0000 34150.3994 -149632.4124 298.2439 -183782.8117 -149539.4614 298.0575 -69.4975 -35.6184 557108.2468 -3.4095 -3.3227 PRESSURE: 780600 -4.34398 132.454 54.7837 132.454 -23.2212 35.5491 54.7841 35.5476 -84.6092 GPRESSURE: 780600 -3.52384 149.608 36.3886 115.06 9.68834 46.4141 65.0626 9.51152 -16.1637 PRESSAVG: 780600 -2.90803 24.0287 64.1891 24.0287 -14.8334 48.7995 64.1889 48.7995 31.8705 GPRESSAVG: 780600 -0.737295 26.1326 65.1253 22.1305 -16.0659 49.6918 64.2335 47.9398 30.7443 TIMING: 780600 CPU: 2260.56, 0.0029268/step Wall: 2260.56, 0.0029268/step, 3.43037 hours remaining, 205.671875 MB of memory in use. ENERGY: 780600 746.6212 2078.0355 1914.0920 115.0755 -206331.8946 17707.2373 0.0000 0.0000 34058.5806 -149712.2526 297.4421 -183770.8332 -149624.9362 297.3839 -37.3915 -3.3331 557087.3072 4.7097 4.6470 PRESSURE: 780800 429.884 74.8309 186.565 74.8322 48.3579 52.946 186.564 52.9469 63.1097 GPRESSURE: 780800 498.733 77.8798 211.065 57.7519 68.045 34.9205 170.558 38.0677 74.631 PRESSAVG: 780800 5.20534 45.9691 96.1417 45.969 32.7961 91.8295 96.1416 91.8294 -9.07829 GPRESSAVG: 780800 4.55967 44.6375 93.1849 48.0879 34.1826 90.0447 96.5963 94.6843 -9.49491 TIMING: 780800 CPU: 2261.14, 0.00291708/step Wall: 2261.14, 0.00291708/step, 3.41882 hours remaining, 205.671875 MB of memory in use. ENERGY: 780800 744.9563 2054.1124 1916.7688 110.8145 -206767.2587 18155.9679 0.0000 0.0000 34198.9348 -149585.7038 298.6678 -183784.6387 -149489.8802 297.7071 180.4506 213.8029 556214.4639 9.6410 9.7491 PRESSURE: 781000 -205.614 16.5334 -272.761 16.5326 -293.1 -2.55241 -272.76 -2.55354 -130.551 GPRESSURE: 781000 -159.85 -19.1393 -229.849 49.8316 -273.099 38.0687 -256.791 36.3683 -86.3128 PRESSAVG: 781000 -44.8675 47.2524 97.9561 47.2524 -13.9005 45.8129 97.9561 45.8129 30.9543 GPRESSAVG: 781000 -46.0405 45.4655 98.418 45.418 -14.3537 47.9389 98.5103 44.2672 32.6878 TIMING: 781000 CPU: 2261.72, 0.00289303/step Wall: 2261.72, 0.00289303/step, 3.39047 hours remaining, 205.671875 MB of memory in use. ENERGY: 781000 746.8250 2033.4476 1927.2756 118.6535 -206037.4482 17625.5295 0.0000 0.0000 34080.0421 -149505.6749 297.6295 -183585.7170 -149403.6820 298.1491 -209.7550 -173.0872 558465.9565 -9.2712 -9.2355 PRESSURE: 781200 262.448 46.2671 -125.196 46.2664 36.6309 107.376 -125.196 107.374 104.183 GPRESSURE: 781200 337.469 70.3137 -128.137 85.3316 49.2985 96.7863 -60.68 128.449 103.518 PRESSAVG: 781200 50.2579 22.7102 -3.21326 22.7102 9.62177 14.9191 -3.21325 14.919 -57.1889 GPRESSAVG: 781200 51.3903 25.0668 -0.809296 22.5433 9.53704 12.9801 -5.11817 15.1339 -57.8133 TIMING: 781200 CPU: 2262.3, 0.00290364/step Wall: 2262.3, 0.00290364/step, 3.40275 hours remaining, 205.671875 MB of memory in use. ENERGY: 781200 694.7135 2105.2016 1939.0453 104.4750 -206249.4593 17853.8885 0.0000 0.0000 34187.1667 -149364.9687 298.5650 -183552.1354 -149268.5835 298.2385 134.4208 163.4286 556724.9770 0.8970 1.0380 PRESSURE: 781400 -116.405 9.79136 43.3978 9.79152 142.674 108.741 43.3978 108.74 -128.591 GPRESSURE: 781400 -76.5374 2.03982 59.7619 7.72037 159.796 99.8383 8.18661 96.267 -95.8238 PRESSAVG: 781400 27.0684 -3.34385 65.2679 -3.34394 12.5966 29.2104 65.2678 29.2104 -28.2059 GPRESSAVG: 781400 27.298 -2.9943 63.4459 -2.96819 11.812 31.367 68.4899 29.2185 -28.1169 TIMING: 781400 CPU: 2262.88, 0.00290553/step Wall: 2262.88, 0.00290553/step, 3.40479 hours remaining, 205.671875 MB of memory in use. ENERGY: 781400 743.4461 2129.7145 1962.0349 112.3501 -206114.7293 17560.4214 0.0000 0.0000 34436.8614 -149169.9008 300.7457 -183606.7622 -149085.8513 299.3344 -34.1074 -4.1885 556461.3744 3.8197 3.6644 PRESSURE: 781600 -148.248 -59.2233 -150.602 -59.2226 -34.1144 119.039 -150.604 119.039 -199.494 GPRESSURE: 781600 -100.384 36.4716 -230.891 -145.8 -68.4381 69.7689 -119.039 99.4223 -121.472 PRESSAVG: 781600 34.6766 7.21453 -13.8074 7.21458 -27.0252 -3.12985 -13.8074 -3.12987 -18.387 GPRESSAVG: 781600 33.87 4.19083 -12.7358 10.8581 -26.4107 -3.45051 -14.4712 -2.32907 -17.7997 TIMING: 781600 CPU: 2263.46, 0.00290452/step Wall: 2263.46, 0.00290453/step, 3.40346 hours remaining, 205.671875 MB of memory in use. ENERGY: 781600 727.8811 2048.2387 1963.2877 95.0075 -205578.3412 17469.7505 0.0000 0.0000 34115.1706 -149159.0051 297.9363 -183274.1757 -149058.2926 299.2462 -127.2855 -96.7646 557906.6979 -3.5785 -3.4468 PRESSURE: 781800 -208.295 -86.7605 14.9043 -86.7604 -116.966 49.6639 14.9051 49.6629 -120.305 GPRESSURE: 781800 -222.833 -96.1897 -62.8776 -3.63024 -63.4201 -6.75157 62.4699 3.31473 -56.957 PRESSAVG: 781800 37.2091 6.56432 -80.6261 6.56423 48.2877 23.4553 -80.6261 23.4552 -67.3744 GPRESSAVG: 781800 36.3938 7.19445 -82.0304 3.36967 49.9001 22.9109 -81.1395 21.9147 -68.3026 TIMING: 781800 CPU: 2264.04, 0.00288751/step Wall: 2264.04, 0.00288751/step, 3.38335 hours remaining, 205.738281 MB of memory in use. ENERGY: 781800 738.7124 2096.9907 1939.7748 118.6743 -205857.6759 17469.1479 0.0000 0.0000 34088.0256 -149406.3501 297.6992 -183494.3757 -149310.6608 298.9476 -148.5220 -114.4034 556882.8535 6.0408 5.9971 PRESSURE: 782000 33.3654 96.2794 -11.8631 96.2796 -189.901 14.1194 -11.8616 14.1185 -4.65076 GPRESSURE: 782000 36.4502 119.713 33.2751 18.4329 -151.842 13.1883 45.9716 61.5867 36.4229 PRESSAVG: 782000 8.63399 25.8357 13.2191 25.8357 26.7929 27.2397 13.2191 27.2397 -13.6279 GPRESSAVG: 782000 8.79188 27.2688 12.6615 25.4548 27.0032 25.677 14.1725 28.6338 -14.3802 TIMING: 782000 CPU: 2264.62, 0.00289811/step Wall: 2264.62, 0.00289811/step, 3.39562 hours remaining, 205.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 782000 740.5794 2135.3115 1933.1756 134.3530 -206165.6194 17717.1943 0.0000 0.0000 34355.9730 -149149.0327 300.0393 -183505.0056 -149054.4197 299.5687 -53.7286 -26.3230 558119.7942 7.2663 7.1383 PRESSURE: 782200 -70.8026 -31.8652 -152.152 -31.8658 -201.667 -18.4825 -152.151 -18.4819 71.9942 GPRESSURE: 782200 -45.6202 -1.80176 -115.327 -50.2144 -198.932 -10.2614 -223.369 53.2303 146.188 PRESSAVG: 782200 36.5391 -7.37016 -16.7248 -7.37018 -35.6576 41.8079 -16.7248 41.8079 -25.02 GPRESSAVG: 782200 37.2248 -8.90255 -15.5697 -6.27693 -36.6174 43.7858 -17.0973 38.9685 -24.7512 TIMING: 782200 CPU: 2265.2, 0.00289286/step Wall: 2265.2, 0.00289286/step, 3.3893 hours remaining, 205.738281 MB of memory in use. ENERGY: 782200 764.0758 2115.2192 1954.1056 114.5367 -206371.1375 17928.5545 0.0000 0.0000 34270.7670 -149223.8787 299.2951 -183494.6456 -149124.3343 298.9026 -66.8251 -32.7880 557181.6003 -8.0462 -8.0479 PRESSURE: 782400 173.738 -41.1855 13.1964 -41.1841 -354.555 -143.553 13.1959 -143.553 -74.5275 GPRESSURE: 782400 227.476 -75.193 1.77038 17.4032 -325.164 -129.167 132.195 -261.926 -57.0268 PRESSAVG: 782400 33.2889 -5.73227 0.421971 -5.73223 -86.5358 15.7237 0.421989 15.7237 66.4069 GPRESSAVG: 782400 33.2361 -5.78681 -0.973063 -6.59024 -86.6147 15.1257 0.911275 16.4771 66.3987 TIMING: 782400 CPU: 2265.78, 0.00289772/step Wall: 2265.78, 0.00289772/step, 3.39484 hours remaining, 205.738281 MB of memory in use. ENERGY: 782400 769.8922 2098.7293 1927.9785 117.3080 -206000.5164 17680.3435 0.0000 0.0000 34456.6266 -148949.6382 300.9183 -183406.2648 -148851.8803 299.5887 -85.1148 -51.5716 558183.9623 4.3866 4.3400 PRESSURE: 782600 -89.6389 46.1963 113.934 46.1948 -124.146 -41.9154 113.934 -41.9162 -180.211 GPRESSURE: 782600 -29.1145 26.0144 157.427 28.3601 -98.9611 -104.016 70.7739 22.9793 -177.568 PRESSAVG: 782600 73.2561 37.161 30.7469 37.1611 -85.7999 34.7569 30.7469 34.7569 35.1408 GPRESSAVG: 782600 72.9905 37.2613 32.0706 36.9198 -85.8811 34.0887 28.732 34.6313 35.2923 TIMING: 782600 CPU: 2266.35, 0.00288139/step Wall: 2266.35, 0.00288139/step, 3.37554 hours remaining, 205.738281 MB of memory in use. ENERGY: 782600 751.8283 2033.2799 1954.2303 121.0095 -206095.5752 17633.6553 0.0000 0.0000 34487.6860 -149113.8860 301.1895 -183601.5720 -149009.8833 299.9731 -131.3322 -101.8811 557184.0961 7.5324 7.4672 PRESSURE: 782800 -136.603 24.1515 138.337 24.1507 -151.53 200.535 138.337 200.537 -147.389 GPRESSURE: 782800 -127.727 -22.4413 63.7116 -34.9466 -142.59 124.929 98.8084 227.692 -65.191 PRESSAVG: 782800 39.8781 40.7994 71.5305 40.7994 -45.8727 10.2084 71.5305 10.2085 0.499619 GPRESSAVG: 782800 40.1552 40.0046 70.7707 40.795 -45.7356 11.448 73.2289 10.2919 0.153995 TIMING: 782800 CPU: 2266.93, 0.00290462/step Wall: 2266.93, 0.00290462/step, 3.40261 hours remaining, 205.738281 MB of memory in use. ENERGY: 782800 772.3516 2093.4150 1944.4995 108.8003 -205902.6415 17635.3581 0.0000 0.0000 34012.8209 -149335.3960 297.0424 -183348.2169 -149236.1814 298.7429 -145.1741 -111.8359 558596.5837 -1.8317 -1.8088 PRESSURE: 783000 -183.395 110.627 -57.4262 110.628 82.9835 130.103 -57.4261 130.104 -126.734 GPRESSURE: 783000 -151.388 95.7968 14.4396 191.9 94.1865 50.9709 -87.6547 92.4241 -52.6831 PRESSAVG: 783000 43.6517 25.4 -11.2906 25.4 0.946068 32.4926 -11.2907 32.4926 -91.1669 GPRESSAVG: 783000 42.5765 25.4519 -12.5723 27.2161 1.68084 32.8871 -11.1817 33.073 -91.0706 TIMING: 783000 CPU: 2267.52, 0.00291446/step Wall: 2267.52, 0.00291446/step, 3.41396 hours remaining, 205.738281 MB of memory in use. ENERGY: 783000 790.5376 2075.0069 1947.9573 112.4398 -206242.9479 17751.2462 0.0000 0.0000 34170.0401 -149395.7200 298.4155 -183565.7601 -149296.0767 298.8353 -75.7151 -36.6282 555820.7527 -15.5230 -15.6044 PRESSURE: 783200 12.4379 -292.721 -26.2142 -292.72 -20.9052 -48.9939 -26.215 -48.9944 -163.535 GPRESSURE: 783200 33.9199 -303.098 -30.0176 -224.97 1.69375 44.2482 50.7902 -85.8146 -120.975 PRESSAVG: 783200 31.3559 -2.29684 -41.5353 -2.29676 17.3206 20.7894 -41.5352 20.7895 -31.5611 GPRESSAVG: 783200 32.9404 -2.48191 -39.4822 -5.31495 15.7799 21.7666 -44.716 18.4963 -31.7302 TIMING: 783200 CPU: 2268.09, 0.00289398/step Wall: 2268.09, 0.00289398/step, 3.38981 hours remaining, 205.738281 MB of memory in use. ENERGY: 783200 709.8555 2083.0028 1928.1357 105.2284 -206127.5007 17703.4700 0.0000 0.0000 34159.1520 -149438.6564 298.3204 -183597.8084 -149342.3079 299.2931 -57.3341 -28.4539 556536.3034 5.7052 5.6634 PRESSURE: 783400 -30.1754 21.9536 -104.407 21.9534 -109.5 128.5 -104.408 128.501 -224.711 GPRESSURE: 783400 -9.26066 17.8265 -82.042 9.82519 -88.9224 35.963 -38.7856 198.29 -168.107 PRESSAVG: 783400 -54.7035 3.85085 -58.5448 3.85083 -5.4281 24.0552 -58.5448 24.0552 33.3965 GPRESSAVG: 783400 -55.3356 2.7092 -59.3931 5.1287 -4.32514 23.0043 -56.6254 25.2273 33.6792 TIMING: 783400 CPU: 2268.67, 0.00289048/step Wall: 2268.67, 0.00289048/step, 3.38555 hours remaining, 205.738281 MB of memory in use. ENERGY: 783400 745.5655 2125.6230 1975.4436 109.4906 -206065.0834 17630.0305 0.0000 0.0000 34238.4825 -149240.4477 299.0132 -183478.9302 -149152.8192 299.1461 -121.4621 -88.7634 556508.5976 -8.9117 -8.6605 PRESSURE: 783600 -47.359 12.4137 -123.863 12.4138 -338.211 75.865 -123.864 75.8651 -345.272 GPRESSURE: 783600 -23.1812 29.572 -49.5802 -77.3378 -292.993 134.362 -104.364 59.4066 -306.484 PRESSAVG: 783600 57.0259 -21.4923 2.51642 -21.4922 -8.55702 -15.6977 2.51638 -15.6978 -49.3684 GPRESSAVG: 783600 58.4303 -20.043 1.77329 -21.9854 -8.76716 -15.798 4.33166 -15.0316 -50.3828 TIMING: 783600 CPU: 2269.26, 0.00291228/step Wall: 2269.26, 0.00291228/step, 3.41092 hours remaining, 205.738281 MB of memory in use. ENERGY: 783600 726.2306 2064.9068 1936.7712 99.8326 -205835.6234 17517.0124 0.0000 0.0000 34193.4083 -149297.4615 298.6195 -183490.8698 -149191.8460 299.2063 -243.6143 -207.5527 557107.9686 -0.2999 -0.2399 PRESSURE: 783800 92.0324 207.732 15.1814 207.731 28.1385 149.897 15.1822 149.896 96.6898 GPRESSURE: 783800 95.1223 293.085 -18.2871 118.305 68.2112 100.403 13.6296 192.981 161.778 PRESSAVG: 783800 31.2841 15.6254 -12.682 15.6255 -34.4307 52.347 -12.682 52.3469 -19.3481 GPRESSAVG: 783800 30.1386 16.0201 -12.2714 16.7697 -35.4292 51.9224 -14.4847 53.0571 -17.4773 TIMING: 783800 CPU: 2269.84, 0.0029262/step Wall: 2269.84, 0.0029262/step, 3.42707 hours remaining, 205.738281 MB of memory in use. ENERGY: 783800 721.4369 2059.6832 1964.4008 109.6598 -206664.9251 17955.9417 0.0000 0.0000 34406.3257 -149447.4771 300.4790 -183853.8028 -149350.3930 298.5425 72.2869 108.3707 556441.1995 -7.4982 -7.5893 PRESSURE: 784000 -187.417 118.056 -107.292 118.055 -121.04 85.7763 -107.293 85.7752 -248.614 GPRESSURE: 784000 -202.207 20.3982 -110.868 176.927 -112.009 87.7165 -134.221 141.652 -141.89 PRESSAVG: 784000 30.8841 19.7534 9.93589 19.7534 -7.76051 10.766 9.9359 10.766 19.1397 GPRESSAVG: 784000 31.0005 19.7992 8.99708 19.0065 -6.56501 10.7246 11.8383 9.80299 18.2862 TIMING: 784000 CPU: 2270.43, 0.00292153/step Wall: 2270.43, 0.00292153/step, 3.42144 hours remaining, 205.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 784000 743.5376 2075.9778 1940.8332 116.8394 -205780.0318 17397.3283 0.0000 0.0000 34138.4946 -149367.0209 298.1400 -183505.5156 -149276.1289 298.8618 -185.6902 -152.0352 558591.2267 14.0878 14.2406 PRESSURE: 784200 -37.1584 6.45866 -4.93139 6.46055 -130.294 58.3294 -4.93172 58.3281 115.495 GPRESSURE: 784200 -12.254 75.7129 35.1843 -64.2957 -96.7546 88.5541 -44.8362 19.8712 151.479 PRESSAVG: 784200 3.75532 -25.7567 -39.0471 -25.7566 -19.6231 4.39671 -39.0471 4.39667 -16.1241 GPRESSAVG: 784200 3.71726 -26.5387 -37.7618 -25.8584 -20.3086 3.26744 -38.4051 4.83459 -15.5928 TIMING: 784200 CPU: 2271.01, 0.00290078/step Wall: 2271.01, 0.00290078/step, 3.39698 hours remaining, 205.738281 MB of memory in use. ENERGY: 784200 714.5371 2083.0686 1963.7095 112.8468 -205994.8382 17732.3712 0.0000 0.0000 34046.9228 -149341.3821 297.3402 -183388.3049 -149252.6136 298.6224 -17.3192 14.1567 557864.0797 -10.6639 -10.7281 LDB: ============= START OF LOAD BALANCING ============== 2274.39 LDB: ============== END OF LOAD BALANCING =============== 2274.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2274.39 LDB: ============= START OF LOAD BALANCING ============== 2274.68 LDB: Largest compute 4820 load 0.028378 is 24.1% of average load 0.117909 LDB: Average compute 0.001716 is 1.5% of average load 0.117909 LDB: TIME 2274.68 LOAD: AVG 0.117909 MAX 0.183899 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 2274.68 LOAD: AVG 0.117909 MAX 0.183899 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: TIME 2274.68 LOAD: AVG 0.117909 MAX 0.183899 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 2274.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2274.69 PRESSURE: 784400 -141.324 6.55205 188.328 6.55148 -83.0436 97.1945 188.329 97.1936 -392.387 GPRESSURE: 784400 -121.699 -20.7541 213.517 83.0901 -23.5488 -6.74327 168.529 127.639 -388.232 PRESSAVG: 784400 -40.496 23.1045 11.2057 23.1046 72.9118 -59.0058 11.2058 -59.0058 -55.4673 GPRESSAVG: 784400 -39.7059 23.4318 12.5273 22.0296 72.2522 -57.3016 8.03832 -58.5627 -54.8949 TIMING: 784400 CPU: 2271.6, 0.00295303/step Wall: 2271.6, 0.00295303/step, 3.458 hours remaining, 207.531250 MB of memory in use. ENERGY: 784400 746.9629 2038.7519 1981.9518 121.1778 -206333.8759 17707.8458 0.0000 0.0000 34400.2985 -149336.8873 300.4264 -183737.1857 -149240.9308 298.0828 -205.5851 -177.8264 558768.8950 -7.6838 -7.4495 PRESSURE: 784600 -27.3242 -45.2536 16.4933 -45.2539 -150.871 127.38 16.4933 127.38 -88.9879 GPRESSURE: 784600 0.241174 -58.367 27.3606 -66.4004 -123.929 182.114 -54.6877 245.152 -47.2932 PRESSAVG: 784600 -7.02335 -3.45062 26.7374 -3.45061 8.3445 51.6068 26.7375 51.6069 -9.01092 GPRESSAVG: 784600 -6.9354 -3.77287 24.5558 -2.33983 9.52956 50.0901 29.0017 52.5821 -10.4518 TIMING: 784600 CPU: 2272.18, 0.00289756/step Wall: 2272.18, 0.00289756/step, 3.39288 hours remaining, 207.531250 MB of memory in use. ENERGY: 784600 784.5562 2080.4658 1956.3768 101.5050 -206142.4227 17685.0828 0.0000 0.0000 34238.9031 -149295.5330 299.0169 -183534.4360 -149205.9771 298.8073 -89.0609 -56.9935 558087.7015 -2.5633 -2.6192 PRESSURE: 784800 119.646 37.7862 132.664 37.7864 -95.9362 -111.944 132.663 -111.945 -173.416 GPRESSURE: 784800 86.2387 39.0145 91.6683 35.8099 -84.7469 -221.055 159.75 -90.113 -49.7604 PRESSAVG: 784800 39.0391 -30.5986 -29.958 -30.5985 -37.2482 -3.99432 -29.9581 -3.99426 7.91952 GPRESSAVG: 784800 39.1069 -31.5643 -28.909 -30.6053 -37.5256 -3.83688 -30.6524 -5.58972 8.57705 TIMING: 784800 CPU: 2272.75, 0.00289275/step Wall: 2272.75, 0.00289275/step, 3.38708 hours remaining, 207.531250 MB of memory in use. ENERGY: 784800 712.9557 2091.3705 1954.9464 110.1689 -206291.6908 17785.7175 0.0000 0.0000 34237.7629 -149398.7688 299.0069 -183636.5318 -149301.6337 298.4591 -49.9022 -16.0895 558994.8776 3.2368 3.3861 PRESSURE: 785000 160.459 66.4995 95.9926 66.4988 -74.5043 7.39119 95.9928 7.39188 -59.957 GPRESSURE: 785000 191.595 -9.68053 141.459 14.1929 -1.38592 30.9736 -6.88772 -62.8807 -68.2524 PRESSAVG: 785000 65.7834 -6.38367 40.0861 -6.38363 -7.67411 -42.661 40.0861 -42.6611 -24.0204 GPRESSAVG: 785000 65.6813 -3.70783 40.8263 -6.18749 -7.50192 -42.8904 40.4209 -42.2778 -23.9878 TIMING: 785000 CPU: 2273.33, 0.00289459/step Wall: 2273.33, 0.00289459/step, 3.38909 hours remaining, 207.531250 MB of memory in use. ENERGY: 785000 741.1557 2070.3785 1925.3869 106.6481 -206272.9965 17952.3280 0.0000 0.0000 34222.5115 -149254.5878 298.8737 -183477.0993 -149163.7888 298.6201 8.6659 40.6522 558689.2626 11.3630 11.3972 PRESSURE: 785200 -93.0734 -9.95626 173.816 -9.95635 -524.9 -109.161 173.816 -109.161 -156.52 GPRESSURE: 785200 -39.6567 -22.7708 190.18 38.4531 -471.653 -173.39 145.864 -29.9852 -166.377 PRESSAVG: 785200 31.954 16.5899 13.7118 16.5899 -27.4036 -6.4035 13.7119 -6.40348 18.1947 GPRESSAVG: 785200 32.2608 16.0336 13.2874 15.6228 -27.1204 -4.7558 11.6864 -6.47293 18.1955 TIMING: 785200 CPU: 2273.91, 0.00290919/step Wall: 2273.91, 0.00290919/step, 3.40602 hours remaining, 207.531250 MB of memory in use. ENERGY: 785200 712.0015 2045.9392 1933.7020 113.5671 -205645.4539 17372.1815 0.0000 0.0000 34301.8181 -149166.2445 299.5663 -183468.0626 -149062.7834 299.1373 -258.1646 -225.8953 557880.6650 7.5817 7.7786 PRESSURE: 785400 -256.654 -77.5428 83.8406 -77.5441 -153.372 -280.607 83.8411 -280.608 -296.585 GPRESSURE: 785400 -193.541 -84.4342 84.8501 -32.5927 -171.394 -205.809 109.404 -273.155 -237.474 PRESSAVG: 785400 34.6762 -1.10078 58.3695 -1.10075 -76.364 -63.8176 58.3694 -63.8174 44.891 GPRESSAVG: 785400 35.6575 -4.42652 55.6208 0.385695 -77.048 -63.7265 61.5385 -65.2742 43.8902 TIMING: 785400 CPU: 2274.49, 0.0028953/step Wall: 2274.49, 0.0028953/step, 3.38959 hours remaining, 207.531250 MB of memory in use. ENERGY: 785400 783.8299 2012.1051 1946.1881 129.3355 -205901.9311 17535.6660 0.0000 0.0000 34304.0089 -149190.7976 299.5854 -183494.8065 -149098.7752 299.2860 -235.5370 -200.8031 559302.1481 1.0677 0.8333 PRESSURE: 785600 41.4084 49.4818 -60.1145 49.4827 -150.525 -119.595 -60.1137 -119.595 120.535 GPRESSURE: 785600 77.6362 61.8526 -45.8021 -1.38902 -86.3912 -114.481 -25.4495 -144.652 118.253 PRESSAVG: 785600 20.5687 -8.88416 46.0993 -8.88424 -33.9634 7.57254 46.0994 7.57252 -29.3176 GPRESSAVG: 785600 20.6957 -6.29364 47.444 -10.7558 -34.6886 9.16274 46.5062 9.48182 -28.7134 TIMING: 785600 CPU: 2275.08, 0.00292282/step Wall: 2275.08, 0.00292282/step, 3.42164 hours remaining, 207.531250 MB of memory in use. ENERGY: 785600 742.0823 2037.6769 1936.4428 121.2186 -206306.9663 17789.4223 0.0000 0.0000 34334.6342 -149345.4892 299.8529 -183680.1234 -149243.5427 298.6786 3.8064 36.4994 557567.3492 -14.2374 -14.2354 PRESSURE: 785800 64.3236 -11.8261 51.5311 -11.8265 134.015 95.9851 51.532 95.9857 -10.6602 GPRESSURE: 785800 105.657 -46.1856 46.645 35.8044 162.235 133.186 23.6344 36.5827 14.5112 PRESSAVG: 785800 -32.3953 19.8387 25.2362 19.8387 -33.3114 -7.1798 25.2362 -7.17978 86.1523 GPRESSAVG: 785800 -33.7702 19.4987 24.6099 22.1587 -30.8313 -7.17422 25.3399 -7.58248 85.4443 TIMING: 785800 CPU: 2275.66, 0.00290014/step Wall: 2275.66, 0.00290014/step, 3.39493 hours remaining, 207.531250 MB of memory in use. ENERGY: 785800 747.7071 2068.5495 1944.6012 110.6052 -206069.0619 17925.4325 0.0000 0.0000 33974.4554 -149297.7110 296.7074 -183272.1664 -149204.7655 298.5273 62.5595 94.1345 557636.5685 6.8152 6.9476 PRESSURE: 786000 -54.7685 -77.6688 136.326 -77.6704 -15.4788 148.433 136.325 148.431 1.16073 GPRESSURE: 786000 -80.8248 -71.216 80.6684 -107.413 24.1638 166.727 143.375 101.482 84.3657 PRESSAVG: 786000 -30.9519 36.6271 33.7464 36.6271 31.3016 -12.8222 33.7464 -12.8222 -6.80919 GPRESSAVG: 786000 -31.2671 34.2594 34.0897 37.2366 31.1421 -15.5818 33.713 -9.9896 -5.55044 TIMING: 786000 CPU: 2276.24, 0.0029006/step Wall: 2276.24, 0.0029006/step, 3.39531 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 786000 749.8628 2047.7678 1924.7104 117.9157 -206409.6461 17898.1777 0.0000 0.0000 34295.5198 -149375.6919 299.5113 -183671.2118 -149278.3490 298.6230 -23.0288 9.2349 556939.0958 -2.1531 -1.8918 PRESSURE: 786200 22.3275 -74.9103 -2.99152 -74.9114 107.692 -38.0758 -2.99153 -38.0757 12.4763 GPRESSURE: 786200 88.6325 -42.634 -24.6894 -95.0596 113.402 -4.70357 -76.5437 70.7253 46.6401 PRESSAVG: 786200 23.8516 -1.80177 40.8451 -1.80182 -21.6059 -26.1198 40.8451 -26.1198 -8.25877 GPRESSAVG: 786200 24.8574 1.42092 41.2315 -2.90327 -22.7392 -23.0882 40.6011 -28.4211 -8.56712 TIMING: 786200 CPU: 2276.82, 0.00289428/step Wall: 2276.82, 0.00289428/step, 3.38776 hours remaining, 207.531250 MB of memory in use. ENERGY: 786200 764.2158 2070.8937 1941.7042 111.8325 -206582.3903 17952.0095 0.0000 0.0000 34224.8753 -149516.8593 298.8943 -183741.7346 -149416.9319 298.5022 47.4985 82.8914 557161.3863 -2.0044 -2.1497 PRESSURE: 786400 -56.8679 -74.5007 165.112 -74.5004 251.55 74.689 165.112 74.6907 -65.0979 GPRESSURE: 786400 16.6443 -96.1938 219.855 -170.189 256.283 -43.9035 138.993 94.6726 -39.1908 PRESSAVG: 786400 38.8094 -37.7034 -11.5739 -37.7034 -2.8955 -19.3635 -11.5739 -19.3636 -48.5813 GPRESSAVG: 786400 37.5187 -38.6245 -11.8963 -38.8838 -2.94482 -23.2725 -10.9229 -19.0715 -47.3857 TIMING: 786400 CPU: 2277.4, 0.00290131/step Wall: 2277.4, 0.00290131/step, 3.39582 hours remaining, 207.531250 MB of memory in use. ENERGY: 786400 710.7832 2072.3962 1917.5011 111.1494 -206501.6889 17834.4368 0.0000 0.0000 34243.8023 -149611.6199 299.0596 -183855.4222 -149517.8190 298.0164 43.1947 77.9123 556709.8979 -4.2225 -4.2706 PRESSURE: 786600 -320.837 61.2742 -83.1833 61.2738 -201.162 -87.3401 -83.1842 -87.3403 -6.82046 GPRESSURE: 786600 -322.429 59.8975 -135.706 64.7148 -119.932 -88.5266 -38.5104 -69.4911 4.67669 PRESSAVG: 786600 7.26015 -6.98949 -22.8634 -6.98954 -0.828527 22.1422 -22.8634 22.1421 16.4999 GPRESSAVG: 786600 7.66409 -7.6571 -21.7848 -5.72883 0.981741 22.3856 -23.6247 21.9456 14.7533 TIMING: 786600 CPU: 2277.98, 0.00291265/step Wall: 2277.98, 0.00291265/step, 3.40893 hours remaining, 207.531250 MB of memory in use. ENERGY: 786600 751.8246 2046.5850 1942.7965 99.0515 -206200.4682 17595.7295 0.0000 0.0000 34071.7531 -149692.7281 297.5571 -183764.4812 -149592.6304 298.2209 -176.2732 -145.8946 556885.3090 7.6438 7.7997 PRESSURE: 786800 -135.461 -10.3193 -44.0391 -10.3202 21.3344 5.42787 -44.0385 5.4273 -115.894 GPRESSURE: 786800 -103.156 -137.161 -12.6786 5.48547 85.2387 22.3676 14.6906 20.6652 -118.725 PRESSAVG: 786800 -5.63936 39.4391 28.0174 39.439 -1.19385 -2.90307 28.0175 -2.903 18.8811 GPRESSAVG: 786800 -6.6342 40.263 28.0797 38.5905 -0.830328 0.107626 28.5273 -2.97758 19.9308 TIMING: 786800 CPU: 2278.56, 0.00291645/step Wall: 2278.56, 0.00291645/step, 3.41321 hours remaining, 207.531250 MB of memory in use. ENERGY: 786800 776.1580 2016.8865 1923.5137 116.6702 -206396.6859 17955.9271 0.0000 0.0000 34083.6574 -149523.8731 297.6611 -183607.5305 -149434.9940 298.0169 -76.6737 -45.5474 557040.6145 4.0160 4.1554 PRESSURE: 787000 -169.94 45.4893 16.2199 45.4888 -136.215 76.8267 16.2201 76.8261 -190.867 GPRESSURE: 787000 -145.425 -43.0165 97.829 32.4702 -84.3096 18.7571 -12.6284 107.955 -159.742 PRESSAVG: 787000 -90.8183 4.38073 19.0293 4.38072 56.0427 93.6236 19.0294 93.6236 22.9398 GPRESSAVG: 787000 -90.2201 4.91859 21.3138 4.1926 56.1885 93.5627 17.3966 93.8064 22.282 TIMING: 787000 CPU: 2279.14, 0.00290337/step Wall: 2279.14, 0.00290337/step, 3.39775 hours remaining, 207.531250 MB of memory in use. ENERGY: 787000 721.0292 2079.5314 1933.5264 122.8315 -206380.8704 17785.0288 0.0000 0.0000 34120.5642 -149618.3588 297.9834 -183738.9231 -149524.4128 298.6821 -165.6741 -129.8255 556673.0652 -3.9453 -3.9165 PRESSURE: 787200 -102.544 4.40087 -44.5094 4.40118 -236.711 -26.3912 -44.5079 -26.3906 -339.146 GPRESSURE: 787200 -85.7324 34.7647 -77.8805 37.4177 -202.7 47.1664 -48.8597 -7.88741 -293.599 PRESSAVG: 787200 14.9665 -35.5214 1.69953 -35.5213 -24.0424 15.2166 1.69955 15.2165 2.96863 GPRESSAVG: 787200 14.5347 -35.9834 -1.29408 -34.3316 -25.1749 15.9409 2.87419 16.1941 3.85883 TIMING: 787200 CPU: 2279.72, 0.00290122/step Wall: 2279.72, 0.00290122/step, 3.39507 hours remaining, 207.531250 MB of memory in use. ENERGY: 787200 740.9557 2068.3779 1955.8511 115.2317 -206180.5393 17488.2937 0.0000 0.0000 34332.6296 -149479.1998 299.8354 -183811.8293 -149384.8902 297.5755 -226.1337 -194.0105 557503.5614 -2.0357 -2.2604 PRESSURE: 787400 -81.6488 117.381 38.1007 117.381 -111.962 17.3337 38.1003 17.3347 -294.297 GPRESSURE: 787400 -124.878 95.2728 4.29419 124.661 -42.3712 -14.0441 8.26973 -5.6819 -220.684 PRESSAVG: 787400 4.60468 -18.4205 -32.3309 -18.4206 -55.0003 -7.69628 -32.331 -7.69639 28.8034 GPRESSAVG: 787400 4.8565 -19.4099 -31.8887 -17.5272 -54.5799 -8.95322 -33.1114 -7.50378 28.1354 TIMING: 787400 CPU: 2280.3, 0.00288395/step Wall: 2280.3, 0.00288395/step, 3.3747 hours remaining, 207.531250 MB of memory in use. ENERGY: 787400 747.5667 2103.7926 1953.8208 107.4688 -206183.4306 17758.5415 0.0000 0.0000 34135.6940 -149376.5461 298.1155 -183512.2401 -149287.5086 297.8125 -162.6361 -129.3112 558082.9394 -7.1974 -7.1960 PRESSURE: 787600 -56.7712 -84.2822 37.6517 -84.2826 123.01 -82.0823 37.6507 -82.082 71.0189 GPRESSURE: 787600 -63.9401 -39.9365 59.3946 -137.261 182.462 -46.9346 49.9068 -78.1799 123.745 PRESSAVG: 787600 9.49011 18.8618 2.2151 18.8617 14.5554 16.2619 2.21506 16.2619 -23.2757 GPRESSAVG: 787600 9.27561 17.704 1.51052 18.2158 13.1584 15.6519 3.67039 16.0431 -21.5869 TIMING: 787600 CPU: 2280.88, 0.00289606/step Wall: 2280.88, 0.00289606/step, 3.38871 hours remaining, 207.531250 MB of memory in use. ENERGY: 787600 786.1404 2079.3766 1946.6504 105.3642 -206134.3484 17854.2006 0.0000 0.0000 34094.3545 -149268.2616 297.7545 -183362.6161 -149167.6673 299.0175 45.7524 80.7558 556603.4589 0.2566 0.2824 PRESSURE: 787800 -7.97105 -2.99165 -97.1929 -2.99209 118.636 146.781 -97.1923 146.782 250.707 GPRESSURE: 787800 -8.43343 65.1165 -52.9306 -28.9684 160.946 123.727 -163.617 111.662 295.324 PRESSAVG: 787800 -2.90094 0.654543 -5.98751 0.654417 -37.9877 -11.6823 -5.98749 -11.6824 42.1829 GPRESSAVG: 787800 -2.46715 1.20173 -5.22775 0.743673 -36.9114 -10.9277 -6.87674 -12.5217 41.2649 TIMING: 787800 CPU: 2281.46, 0.0029205/step Wall: 2281.46, 0.0029205/step, 3.41715 hours remaining, 207.531250 MB of memory in use. ENERGY: 787800 727.5366 2054.3836 1956.4010 127.5187 -206200.8082 17857.2431 0.0000 0.0000 34203.3039 -149274.4213 298.7060 -183477.7252 -149176.7433 298.8586 120.4572 149.2787 557046.7640 0.4314 0.6288 PRESSURE: 788000 -53.0793 57.444 137.869 57.4431 -160.53 85.2537 137.872 85.2554 -109.168 GPRESSURE: 788000 9.00519 65.9437 177.813 -17.0284 -182.601 134.944 133.919 105.817 -63.8769 PRESSAVG: 788000 63.6001 48.9654 -6.31106 48.9653 -64.9458 66.399 -6.31105 66.3992 -14.8763 GPRESSAVG: 788000 62.7224 49.7639 -5.14846 49.9204 -64.4165 66.9851 -5.09487 67.4207 -14.6508 TIMING: 788000 CPU: 2282.05, 0.00290308/step Wall: 2282.05, 0.00290308/step, 3.3966 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 788000 739.7853 2091.9595 1965.7571 99.5973 -206231.2278 17661.1148 0.0000 0.0000 34440.2830 -149232.7308 300.7756 -183673.0138 -149136.5930 299.7255 -107.5924 -79.1575 557649.6216 -5.4073 -5.4483 PRESSURE: 788200 98.9988 -45.5953 182.09 -45.5963 -86.1679 14.8993 182.089 14.8999 -158.795 GPRESSURE: 788200 91.3551 -16.8973 117.722 -46.0248 -2.75534 -32.6294 228.703 0.410413 -150.299 PRESSAVG: 788200 59.8814 57.8229 20.7435 57.8229 18.042 -11.7751 20.7435 -11.7751 -51.1584 GPRESSAVG: 788200 60.4637 58.2708 20.2231 56.3409 17.9903 -11.8326 19.7708 -14.0572 -50.8357 TIMING: 788200 CPU: 2282.62, 0.00289736/step Wall: 2282.62, 0.00289736/step, 3.38975 hours remaining, 207.531250 MB of memory in use. ENERGY: 788200 733.8469 2089.1200 1943.4356 109.2501 -205782.0432 17453.9044 0.0000 0.0000 34217.5859 -149234.9003 298.8307 -183452.4862 -149141.2062 299.2068 -48.6548 -20.5663 556540.7166 8.9217 9.2061 LDB: ============= START OF LOAD BALANCING ============== 2286.01 LDB: ============== END OF LOAD BALANCING =============== 2286.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2286.02 LDB: ============= START OF LOAD BALANCING ============== 2286.31 LDB: Largest compute 4820 load 0.029525 is 25.0% of average load 0.117912 LDB: Average compute 0.001718 is 1.5% of average load 0.117912 LDB: TIME 2286.31 LOAD: AVG 0.117912 MAX 0.187729 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.043 MB LDB: TIME 2286.31 LOAD: AVG 0.117912 MAX 0.187729 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.043 MB LDB: TIME 2286.31 LOAD: AVG 0.117912 MAX 0.187729 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.043 MB LDB: ============== END OF LOAD BALANCING =============== 2286.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2286.32 PRESSURE: 788400 63.7754 -17.8864 -49.0641 -17.8852 -111.268 84.9439 -49.064 84.9438 115.81 GPRESSURE: 788400 91.8765 76.8963 -91.2891 -17.1905 -68.2283 0.737586 -19.766 72.9315 127.343 PRESSAVG: 788400 16.2591 13.3542 -6.27005 13.3542 -36.5414 12.6409 -6.27003 12.6409 -6.64276 GPRESSAVG: 788400 16.5613 12.3479 -4.33346 13.8997 -36.3082 12.4246 -8.74572 12.602 -6.58898 TIMING: 788400 CPU: 2283.22, 0.0029753/step Wall: 2283.22, 0.0029753/step, 3.48077 hours remaining, 206.761719 MB of memory in use. ENERGY: 788400 733.2921 2089.9223 1929.7800 109.3564 -206169.4162 17894.1351 0.0000 0.0000 34247.4028 -149165.5276 299.0911 -183412.9303 -149069.0956 299.4371 22.7725 50.3304 557940.6763 -8.9750 -8.7786 PRESSURE: 788600 -195.124 -121.476 -30.5221 -121.477 -182.862 -39.7783 -30.5221 -39.7768 -37.3601 GPRESSURE: 788600 -78.6927 -158.557 10.5638 -102.629 -178.846 16.761 -20.7419 -85.1002 -63.3853 PRESSAVG: 788600 53.8218 -44.6389 13.3828 -44.639 -54.933 -7.96202 13.383 -7.96196 -15.3468 GPRESSAVG: 788600 53.595 -44.7207 13.0133 -45.8254 -55.2871 -9.49368 16.7362 -7.23958 -14.3936 TIMING: 788600 CPU: 2283.8, 0.00291156/step Wall: 2283.8, 0.00291156/step, 3.40604 hours remaining, 206.761719 MB of memory in use. ENERGY: 788600 745.1095 2072.9690 1957.4545 100.8296 -205893.4556 17611.1529 0.0000 0.0000 34113.3068 -149292.6333 297.9200 -183405.9400 -149201.2004 298.7887 -138.4488 -106.9746 557496.5180 -5.4860 -5.3619 PRESSURE: 788800 286.763 -56.0647 164.788 -56.0644 128.745 -17.8 164.788 -17.8014 124.646 GPRESSURE: 788800 285.892 -84.2997 155.034 -48.4429 182.619 -61.0354 95.7064 -2.07571 178.944 PRESSAVG: 788800 40.3631 -89.6875 -31.8838 -89.6874 -6.79521 6.07905 -31.8837 6.0791 -9.30177 GPRESSAVG: 788800 41.7726 -89.0679 -32.2702 -89.0704 -6.76189 10.3205 -34.8424 6.20285 -10.4817 TIMING: 788800 CPU: 2284.38, 0.00291102/step Wall: 2284.38, 0.00291102/step, 3.40525 hours remaining, 206.761719 MB of memory in use. ENERGY: 788800 737.0940 2020.5983 1924.1081 104.7425 -206563.4657 18025.7246 0.0000 0.0000 34327.7360 -149423.4622 299.7927 -183751.1982 -149329.3089 299.2100 180.0512 215.8184 555943.1950 8.0887 8.1763 PRESSURE: 789000 -122.828 46.9015 -43.2986 46.9013 -22.0581 0.214133 -43.2973 0.214019 71.2966 GPRESSURE: 789000 -44.0927 8.54223 7.63314 37.8004 -1.67678 23.3012 -86.9113 53.0212 78.3301 PRESSAVG: 789000 -0.659631 -1.70737 -42.4495 -1.70735 10.4084 -8.44302 -42.4496 -8.44303 -8.33189 GPRESSAVG: 789000 -0.691601 -3.21053 -42.3726 -0.627961 9.83943 -11.421 -40.1846 -7.36204 -7.20774 TIMING: 789000 CPU: 2284.97, 0.00291274/step Wall: 2284.97, 0.00291274/step, 3.4071 hours remaining, 206.761719 MB of memory in use. ENERGY: 789000 745.2948 2111.1697 1914.8619 103.0662 -206176.3841 17793.9558 0.0000 0.0000 34046.8659 -149461.1698 297.3397 -183508.0357 -149366.0839 298.6567 -24.5299 10.8535 556603.9580 0.4723 0.6467 PRESSURE: 789200 -299.342 30.365 145.358 30.3626 -133.599 -33.569 145.357 -33.5697 -287.269 GPRESSURE: 789200 -277.385 -33.7546 67.635 111.038 -100.964 -11.1602 91.6987 -27.5419 -257.636 PRESSAVG: 789200 9.45699 -23.9895 40.7134 -23.9895 4.15713 -15.2881 40.7133 -15.2882 -2.76649 GPRESSAVG: 789200 9.47231 -24.0668 40.2281 -22.6544 4.89958 -13.3206 39.1895 -16.2752 -3.72667 TIMING: 789200 CPU: 2285.54, 0.00288418/step Wall: 2285.54, 0.00288418/step, 3.37353 hours remaining, 206.761719 MB of memory in use. ENERGY: 789200 767.4593 2083.9829 1919.2596 107.1344 -206077.5452 17491.4139 0.0000 0.0000 34205.7745 -149502.5206 298.7275 -183708.2951 -149407.1170 299.4379 -240.0700 -211.9947 557337.7528 3.6159 3.5484 PRESSURE: 789400 4.25722 97.0143 -90.0508 97.0143 -82.2453 24.4025 -90.0501 24.4026 -206.79 GPRESSURE: 789400 -5.48102 161.552 -59.1953 104.315 -55.1437 -48.2273 -156.797 81.5209 -131.999 PRESSAVG: 789400 11.4474 33.114 16.5357 33.1139 69.6604 -40.8161 16.5357 -40.816 -70.6276 GPRESSAVG: 789400 11.1053 34.7259 16.7834 31.4432 70.2447 -41.2195 17.4849 -40.8051 -70.7564 TIMING: 789400 CPU: 2286.13, 0.00291305/step Wall: 2286.13, 0.00291305/step, 3.40714 hours remaining, 206.761719 MB of memory in use. ENERGY: 789400 736.2368 2113.3431 1951.8287 106.7791 -206552.8564 17937.6571 0.0000 0.0000 34134.6482 -149572.3635 298.1064 -183707.0117 -149475.0246 299.2420 -94.9261 -64.2079 557145.2818 3.4934 3.5312 PRESSURE: 789600 84.2332 -92.8392 137.316 -92.8398 37.612 -38.7673 137.314 -38.7664 218.134 GPRESSURE: 789600 120.522 -99.2197 156.066 -76.0871 70.5186 -57.1331 168.753 9.84055 239.834 PRESSAVG: 789600 -16.4416 1.91126 27.4606 1.91114 41.5897 32.9656 27.4606 32.9657 -77.8683 GPRESSAVG: 789600 -15.5221 0.00838813 27.3383 2.86899 41.3782 32.622 28.2841 32.1991 -78.3592 TIMING: 789600 CPU: 2286.71, 0.0029125/step Wall: 2286.71, 0.0029125/step, 3.40633 hours remaining, 206.761719 MB of memory in use. ENERGY: 789600 749.0035 2103.2305 1927.8834 111.9546 -206653.2728 17980.4803 0.0000 0.0000 34315.3087 -149465.4117 299.6841 -183780.7204 -149371.1277 298.1081 113.3265 143.6251 556854.8692 -17.5734 -17.5010 PRESSURE: 789800 -162.718 -96.0207 110.832 -96.022 111.075 75.971 110.832 75.9713 -129.544 GPRESSURE: 789800 -74.5559 -55.3382 76.1728 1.51973 116.27 68.1639 199.939 -30.0408 -129.294 PRESSAVG: 789800 -25.0706 -6.9645 18.9129 -6.96454 7.90506 -9.85978 18.9129 -9.85978 33.6267 GPRESSAVG: 789800 -25.1645 -5.72191 18.457 -8.18423 7.2424 -10.8143 18.6465 -9.76154 34.2868 TIMING: 789800 CPU: 2287.29, 0.00290405/step Wall: 2287.29, 0.00290405/step, 3.39629 hours remaining, 206.761719 MB of memory in use. ENERGY: 789800 733.3367 2030.8609 1945.2395 105.4501 -206300.1625 17828.5132 0.0000 0.0000 34253.3186 -149403.4436 299.1428 -183656.7622 -149302.7993 298.7220 -60.3958 -29.1936 556926.3213 5.4870 5.4549 PRESSURE: 790000 55.2741 -119.384 -200.425 -119.384 -16.8013 52.1955 -200.424 52.1957 -137.101 GPRESSURE: 790000 60.4622 -147.463 -100.448 -75.9152 58.8093 41.8965 -173.177 57.4867 -110.792 PRESSAVG: 790000 22.1877 -37.1333 -52.1942 -37.1333 42.4327 10.267 -52.1942 10.2669 1.00324 GPRESSAVG: 790000 20.9339 -36.4739 -50.7989 -37.5037 44.0961 12.8349 -52.9975 8.40369 1.32124 TIMING: 790000 CPU: 2287.87, 0.00289623/step Wall: 2287.87, 0.00289623/step, 3.38698 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 790000 731.3009 2068.9683 1955.9869 109.3986 -205941.0741 17721.2437 0.0000 0.0000 33925.6691 -149428.5066 296.2813 -183354.1757 -149338.6925 298.8741 -32.8760 2.8266 558194.4327 21.8745 22.1171 PRESSURE: 790200 -233.169 112.908 34.2743 112.909 24.3679 -41.0587 34.2747 -41.0595 -139.593 GPRESSURE: 790200 -149.533 156.216 -2.79914 75.5839 42.4693 -107.146 76.0015 -10.0111 -143.458 PRESSAVG: 790200 -22.2625 22.9622 -41.8168 22.9622 19.4627 53.189 -41.8168 53.189 -11.2333 GPRESSAVG: 790200 -21.4882 23.8888 -41.8821 22.1517 18.7497 52.0775 -40.1443 55.2198 -11.4605 TIMING: 790200 CPU: 2288.45, 0.00290739/step Wall: 2288.45, 0.00290739/step, 3.39987 hours remaining, 206.761719 MB of memory in use. ENERGY: 790200 753.5923 2089.8805 1944.7739 113.4211 -206214.8823 17718.2077 0.0000 0.0000 34257.2340 -149337.7728 299.1769 -183595.0068 -149246.9942 298.6816 -116.1316 -83.5074 557947.9798 -4.6777 -4.7330 PRESSURE: 790400 -29.3059 149.376 -14.8043 149.377 13.1053 -13.0829 -14.8031 -13.083 -225.787 GPRESSURE: 790400 1.91485 106.573 -30.6297 162.976 54.5752 -43.3153 -47.8229 35.2383 -202.695 PRESSAVG: 790400 -11.663 -32.7554 -17.2883 -32.7554 30.7288 30.2373 -17.2883 30.2373 -35.9579 GPRESSAVG: 790400 -12.3469 -33.2601 -18.2893 -32.0441 31.6762 29.6302 -18.4212 31.9834 -36.2143 TIMING: 790400 CPU: 2289.03, 0.00291173/step Wall: 2289.03, 0.00291173/step, 3.40478 hours remaining, 206.761719 MB of memory in use. ENERGY: 790400 736.5920 2038.8283 1978.9759 116.3637 -206385.6847 17875.0362 0.0000 0.0000 34208.1271 -149431.7615 298.7481 -183639.8886 -149342.0220 298.5676 -80.6627 -48.7351 557321.8567 -5.6307 -5.6283 PRESSURE: 790600 50.5196 27.8537 119.318 27.8543 288.321 -8.48129 119.318 -8.48119 87.7822 GPRESSURE: 790600 47.1776 21.9407 146.399 83.9631 374.537 49.2834 88.3356 -84.6977 103.83 PRESSAVG: 790600 53.256 -5.49502 4.35472 -5.49506 39.2915 19.262 4.3548 19.2621 -63.0958 GPRESSAVG: 790600 54.9296 -6.94521 4.65341 -3.52802 38.3453 18.0265 4.2703 18.7772 -63.9098 TIMING: 790600 CPU: 2289.61, 0.00290791/step Wall: 2289.61, 0.00290791/step, 3.40015 hours remaining, 206.761719 MB of memory in use. ENERGY: 790600 698.2883 2123.7654 1955.5138 102.1894 -206442.1367 17833.7458 0.0000 0.0000 34308.8744 -149419.7596 299.6279 -183728.6340 -149316.8547 299.4073 142.2076 175.1817 555985.9085 9.8172 9.7884 PRESSURE: 790800 7.93162 35.6006 63.6868 35.6006 -21.4674 105.076 63.6859 105.075 167.859 GPRESSURE: 790800 11.2313 -18.8087 -5.18415 31.0863 1.51056 28.0094 41.1115 84.2455 234.109 PRESSAVG: 790800 -21.336 -59.528 -11.1938 -59.5279 12.5712 34.394 -11.1938 34.3939 -5.61237 GPRESSAVG: 790800 -21.853 -60.3024 -11.2286 -61.2978 13.587 36.8129 -10.536 33.2075 -5.64495 TIMING: 790800 CPU: 2290.2, 0.00292311/step Wall: 2290.2, 0.00292311/step, 3.41777 hours remaining, 206.761719 MB of memory in use. ENERGY: 790800 745.8721 2098.4931 1951.5451 109.9222 -206476.4824 17938.5313 0.0000 0.0000 34181.4636 -149450.6550 298.5152 -183632.1185 -149360.3777 298.3934 51.4411 82.2836 557219.9421 -4.7924 -4.6370 PRESSURE: 791000 60.7276 197.115 -79.9858 197.114 -88.8483 64.5327 -79.9851 64.5315 -337.118 GPRESSURE: 791000 86.3047 183.949 -74.4792 171.383 -64.6272 78.4577 -116.235 112.522 -289.421 PRESSAVG: 791000 -34.5027 -15.5224 30.4837 -15.5222 -1.49196 27.3188 30.4835 27.3188 -9.97257 GPRESSAVG: 791000 -34.8562 -14.2416 29.4024 -15.6462 -1.42312 24.5587 30.8829 28.8362 -9.64988 TIMING: 791000 CPU: 2290.78, 0.00289472/step Wall: 2290.78, 0.00289472/step, 3.38441 hours remaining, 206.761719 MB of memory in use. ENERGY: 791000 749.4571 2117.2855 1947.4812 122.0282 -206066.6035 17739.3867 0.0000 0.0000 34037.2130 -149353.7519 297.2554 -183390.9649 -149261.7711 298.2101 -121.7461 -89.2478 557160.9506 -15.3224 -15.3097 PRESSURE: 791200 -173.688 -74.8264 -39.2732 -74.8274 -126.25 -73.7425 -39.2723 -73.7416 -52.2979 GPRESSURE: 791200 -102.164 -95.3423 -81.1849 -82.3667 -44.8284 -29.5756 -48.4078 -79.7632 -104.493 PRESSAVG: 791200 78.3383 0.695936 20.4194 0.695868 -45.214 -41.8746 20.4194 -41.8745 -29.912 GPRESSAVG: 791200 78.0735 2.50273 19.2448 -0.279417 -44.7279 -39.6516 20.3152 -43.4969 -30.3147 TIMING: 791200 CPU: 2291.36, 0.00291148/step Wall: 2291.36, 0.00291148/step, 3.40384 hours remaining, 206.761719 MB of memory in use. ENERGY: 791200 732.9777 2112.6461 1938.2227 113.0121 -205744.1041 17408.9778 0.0000 0.0000 34100.5721 -149337.6958 297.8088 -183438.2678 -149249.7478 299.0873 -117.4119 -83.8284 558884.8585 1.0707 1.0103 PRESSURE: 791400 -89.9706 -3.27878 33.4883 -3.27899 -218.284 141.581 33.4887 141.58 -143.204 GPRESSURE: 791400 -103.27 -77.9605 45.8515 16.0995 -186.498 80.2865 72.4602 204.408 -58.7316 PRESSAVG: 791400 4.8127 -44.7971 -1.1997 -44.7971 15.8402 -23.8127 -1.19979 -23.8127 6.45623 GPRESSAVG: 791400 5.37137 -45.3578 2.96242 -43.3879 16.065 -24.9411 -1.62628 -24.8361 6.10182 TIMING: 791400 CPU: 2291.94, 0.00290254/step Wall: 2291.94, 0.00290254/step, 3.39324 hours remaining, 206.761719 MB of memory in use. ENERGY: 791400 751.0058 2090.1951 1933.0427 99.2102 -205953.8679 17631.8501 0.0000 0.0000 34306.9862 -149141.5778 299.6114 -183448.5640 -149044.3135 299.0413 -150.4861 -116.1665 557787.9893 9.0364 9.1794 PRESSURE: 791600 198.919 22.9923 -172.632 22.9942 18.2457 -8.6028 -172.631 -8.60461 -109.164 GPRESSURE: 791600 250.821 19.9197 -44.5829 -12.8139 35.3988 -21.9665 -186.987 -6.27199 -86.9645 PRESSAVG: 791600 50.038 5.14975 -30.8565 5.14963 27.4868 23.5836 -30.8565 23.5837 -68.7881 GPRESSAVG: 791600 49.5806 3.32454 -33.249 4.08903 28.0969 21.3379 -30.3947 25.2609 -68.7446 TIMING: 791600 CPU: 2292.52, 0.00287519/step Wall: 2292.52, 0.00287519/step, 3.36109 hours remaining, 206.761719 MB of memory in use. ENERGY: 791600 793.0924 2136.7991 1968.1153 112.8705 -206274.0969 17981.6001 0.0000 0.0000 33992.5987 -149289.0209 296.8658 -183281.6196 -149189.4749 299.0204 36.0000 66.4184 557195.2127 2.9123 2.9776 PRESSURE: 791800 -456.959 147.18 -136.132 147.179 31.7444 -195.988 -136.131 -195.988 22.1451 GPRESSURE: 791800 -375.536 59.6729 -59.2824 192.435 21.7695 -157.996 -244.459 -206.365 44.0268 PRESSAVG: 791800 12.7107 24.976 -53.9222 24.976 -37.7802 -0.502086 -53.9222 -0.502102 31.0397 GPRESSAVG: 791800 13.2189 24.5195 -54.5534 26.8674 -39.4852 2.621 -53.7567 -1.85398 32.1106 TIMING: 791800 CPU: 2293.1, 0.00290795/step Wall: 2293.1, 0.00290795/step, 3.39923 hours remaining, 206.761719 MB of memory in use. ENERGY: 791800 758.9282 2167.8689 1951.8862 119.0869 -206029.9429 17494.5492 0.0000 0.0000 34313.7622 -149223.8613 299.6706 -183537.6235 -149125.6990 299.4494 -134.3566 -103.2465 556869.5465 1.9901 1.9481 PRESSURE: 792000 -6.75392 -26.2752 -170.386 -26.2757 -5.57165 140.739 -170.387 140.74 69.8394 GPRESSURE: 792000 26.4448 -90.8921 -202.967 1.7289 31.1723 189.515 -113.748 123.354 99.1621 PRESSAVG: 792000 -35.4862 -53.0139 -21.635 -53.014 -28.2514 2.48807 -21.635 2.48823 -7.10532 GPRESSAVG: 792000 -36.7133 -52.3876 -20.1914 -54.3687 -28.0888 2.09168 -22.09 1.91862 -6.65815 TIMING: 792000 CPU: 2293.68, 0.00291909/step Wall: 2293.68, 0.00291909/step, 3.41209 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 792000 733.7864 2126.2407 1959.6795 128.2156 -206150.2139 17689.0415 0.0000 0.0000 34339.6569 -149173.5934 299.8968 -183513.2503 -149075.0422 300.1314 19.1713 52.2597 557746.1152 -23.6143 -23.8201 PRESSURE: 792200 -176.134 -116.262 257.698 -116.262 -229.67 -7.51802 257.698 -7.51753 -24.3217 GPRESSURE: 792200 -155.974 -110.797 242.992 -105.514 -214.746 64.208 142.135 10.2498 46.0642 PRESSAVG: 792200 -26.5631 -19.1181 24.9771 -19.1182 16.5492 -40.8459 24.977 -40.8459 36.2612 GPRESSAVG: 792200 -25.3262 -18.0554 23.5359 -19.2722 16.2458 -41.6756 25.319 -41.1124 35.7527 TIMING: 792200 CPU: 2294.26, 0.00290479/step Wall: 2294.26, 0.00290479/step, 3.39522 hours remaining, 206.761719 MB of memory in use. ENERGY: 792200 747.6961 2117.6952 1950.5784 108.1974 -206205.1776 17662.6521 0.0000 0.0000 34304.1419 -149314.2164 299.5866 -183618.3583 -149215.6761 299.3798 -143.3752 -108.2187 557270.7211 8.7491 8.8908 LDB: ============= START OF LOAD BALANCING ============== 2297.65 LDB: ============== END OF LOAD BALANCING =============== 2297.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2297.65 LDB: ============= START OF LOAD BALANCING ============== 2297.94 LDB: Largest compute 4820 load 0.029459 is 25.0% of average load 0.117862 LDB: Average compute 0.001720 is 1.5% of average load 0.117862 LDB: TIME 2297.94 LOAD: AVG 0.117862 MAX 0.185973 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.043 MB LDB: TIME 2297.94 LOAD: AVG 0.117862 MAX 0.185973 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.113 MB LDB: TIME 2297.94 LOAD: AVG 0.117862 MAX 0.185973 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.113 MB LDB: ============== END OF LOAD BALANCING =============== 2297.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2297.95 PRESSURE: 792400 125.061 22.2996 42.3381 22.3001 19.3306 -98.5468 42.3382 -98.5476 16.1763 GPRESSURE: 792400 96.1729 70.3034 44.2707 92.5755 109.693 -69.6532 27.7039 -21.8528 49.9294 PRESSAVG: 792400 25.5275 -13.902 26.4236 -13.902 -31.3207 -14.0111 26.4236 -14.0112 15.0494 GPRESSAVG: 792400 24.7502 -15.6296 25.0978 -12.0387 -31.1374 -14.6638 26.9601 -12.5374 14.9292 TIMING: 792400 CPU: 2294.85, 0.00295404/step Wall: 2294.85, 0.00295404/step, 3.45261 hours remaining, 207.019531 MB of memory in use. ENERGY: 792400 771.3513 2133.8266 1962.3898 114.2169 -206182.6935 17957.5635 0.0000 0.0000 34262.7122 -148980.6331 299.2248 -183243.3453 -148889.8914 299.5932 53.5225 85.2650 557450.7112 3.0854 2.8473 PRESSURE: 792600 -20.0065 -107.6 36.9694 -107.601 108.863 -70.6772 36.9693 -70.6765 83.9771 GPRESSURE: 792600 11.2364 -77.0896 -2.67046 -55.1142 139.717 -77.9664 102.66 -77.0872 131.14 PRESSAVG: 792600 -71.8912 -17.7077 17.0485 -17.7078 41.1444 21.7769 17.0485 21.7769 39.3778 GPRESSAVG: 792600 -72.0252 -16.9256 16.6436 -17.0504 41.51 22.1351 15.9051 20.42 39.1985 TIMING: 792600 CPU: 2295.44, 0.00291346/step Wall: 2295.44, 0.00291346/step, 3.40503 hours remaining, 207.019531 MB of memory in use. ENERGY: 792600 729.7796 2168.6299 1950.5327 110.3929 -205885.9089 17717.9993 0.0000 0.0000 34158.8733 -149049.7011 298.3179 -183208.5745 -148955.3821 300.1022 57.6111 94.0310 558245.9870 2.8770 2.8944 PRESSURE: 792800 -79.6444 -37.0641 41.1509 -37.0632 49.1313 100.233 41.1516 100.234 129.464 GPRESSURE: 792800 -26.6606 33.7475 61.5318 -26.682 76.4741 10.9871 44.4244 124.681 157.912 PRESSAVG: 792800 -32.8381 -31.7941 -23.3186 -31.7942 42.8956 5.83407 -23.3185 5.8341 8.07582 GPRESSAVG: 792800 -31.7042 -30.0449 -21.3743 -32.699 42.4782 4.16886 -22.7731 6.74424 7.29558 TIMING: 792800 CPU: 2296.02, 0.00290826/step Wall: 2296.02, 0.00290826/step, 3.39878 hours remaining, 207.019531 MB of memory in use. ENERGY: 792800 740.1400 2074.9156 1935.0276 129.5904 -206009.4830 17752.2486 0.0000 0.0000 34133.5831 -149243.9777 298.0971 -183377.5608 -149142.2884 299.0209 32.9836 69.2419 558444.4337 6.0444 6.0232 PRESSURE: 793000 -113.131 -99.6104 -61.0007 -99.6108 -102.647 -26.7211 -60.9995 -26.7201 105.534 GPRESSURE: 793000 -33.5686 -138.715 -26.3419 -76.7633 -64.0958 -76.3151 -102.944 -31.3568 73.9338 PRESSAVG: 793000 -73.1568 -41.6256 -52.1346 -41.6256 76.9312 -16.86 -52.1346 -16.86 -25.5108 GPRESSAVG: 793000 -73.42 -43.422 -52.8302 -39.6542 77.7429 -16.2487 -53.0561 -16.3325 -25.9687 TIMING: 793000 CPU: 2296.6, 0.00289403/step Wall: 2296.6, 0.00289403/step, 3.38199 hours remaining, 207.019531 MB of memory in use. ENERGY: 793000 758.9701 2119.6222 1947.6306 117.0768 -206337.1322 17850.6849 0.0000 0.0000 34261.7268 -149281.4208 299.2162 -183543.1476 -149188.0556 299.2052 -36.7480 -7.9102 558765.7353 -7.2454 -7.2153 PRESSURE: 793200 -256.481 -154.396 160.468 -154.396 88.8041 93.2605 160.468 93.262 -83.0612 GPRESSURE: 793200 -217.707 -203.799 254.245 -109.053 217.893 32.5142 28.906 94.0764 -152.14 PRESSAVG: 793200 -3.6056 -52.2004 2.6473 -52.2005 11.4514 -26.8258 2.64726 -26.8258 -26.6349 GPRESSAVG: 793200 -3.76622 -52.5361 3.22619 -53.1602 10.8268 -24.6909 2.40669 -28.6164 -26.1913 TIMING: 793200 CPU: 2297.18, 0.00291511/step Wall: 2297.18, 0.00291511/step, 3.40647 hours remaining, 207.019531 MB of memory in use. ENERGY: 793200 772.5759 2157.4515 1971.6700 131.7053 -206286.1769 17675.0104 0.0000 0.0000 34291.4328 -149286.3310 299.4756 -183577.7638 -149193.2929 299.2211 -83.5793 -50.6514 557483.3753 -6.2630 -6.3769 PRESSURE: 793400 6.46477 202.648 -25.8392 202.65 -145.763 -11.4368 -25.8402 -11.4378 -28.4285 GPRESSURE: 793400 -56.5806 183.808 109.018 136.028 -92.4555 108.15 -29.5295 -42.5007 73.2547 PRESSAVG: 793400 -35.3529 -4.00416 -13.6863 -4.00409 48.1883 19.3611 -13.6863 19.3611 13.793 GPRESSAVG: 793400 -36.8574 -2.61746 -12.3599 -6.09775 48.2963 18.6522 -12.4078 18.9449 14.5044 TIMING: 793400 CPU: 2297.76, 0.00288519/step Wall: 2297.76, 0.00288519/step, 3.37134 hours remaining, 207.019531 MB of memory in use. ENERGY: 793400 770.7880 2137.5220 1931.3409 127.8211 -206232.9164 17724.9611 0.0000 0.0000 34499.6698 -149040.8135 301.2942 -183540.4833 -148940.9030 299.8457 -55.9089 -25.2605 557324.0754 8.8761 8.6478 PRESSURE: 793600 159.224 -156.782 -45.2329 -156.783 99.4752 194.772 -45.2326 194.772 -53.0798 GPRESSURE: 793600 188.328 -82.5863 4.05661 -194.778 136.256 145.319 -141.709 172.547 -11.3375 PRESSAVG: 793600 17.7996 -67.7334 1.04501 -67.7333 40.8752 71.7613 1.04499 71.7613 -31.7962 GPRESSAVG: 793600 18.2733 -68.1554 0.260714 -68.2654 41.1524 71.8911 -0.376292 72.3805 -32.0379 TIMING: 793600 CPU: 2298.34, 0.00289727/step Wall: 2298.34, 0.00289727/step, 3.3853 hours remaining, 207.019531 MB of memory in use. ENERGY: 793600 724.7824 2140.2731 1983.8617 110.1699 -206050.0242 17979.9051 0.0000 0.0000 34013.9921 -149097.0398 297.0527 -183111.0319 -148992.1700 299.7145 68.5398 104.4156 558964.0017 8.9596 9.1293 PRESSURE: 793800 -271.118 -11.2432 -14.5663 -11.2432 91.233 -5.5781 -14.5659 -5.57946 -59.5068 GPRESSURE: 793800 -225.446 -61.1835 17.6925 3.76251 155.114 47.8029 -40.6305 -36.4769 -83.4488 PRESSAVG: 793800 -63.8337 -28.2724 0.361539 -28.2725 2.05447 22.1256 0.361525 22.1257 18.1638 GPRESSAVG: 793800 -64.9715 -29.031 0.232185 -26.1411 2.07986 23.2589 2.06389 21.0913 18.8667 TIMING: 793800 CPU: 2298.92, 0.00289957/step Wall: 2298.92, 0.00289957/step, 3.38782 hours remaining, 207.019531 MB of memory in use. ENERGY: 793800 776.5627 2093.2989 1953.2866 112.7125 -206272.6579 17881.1140 0.0000 0.0000 34345.9575 -149109.7258 299.9518 -183455.6833 -149008.7040 299.3133 -79.7972 -51.2603 558645.8870 -14.5385 -14.6750 PRESSURE: 794000 -136.096 49.2005 30.1963 49.199 -290.774 -123.464 30.1961 -123.463 -99.9294 GPRESSURE: 794000 -100.452 11.95 82.2138 23.7787 -271.906 -127.732 73.17 -23.2555 -59.9027 PRESSAVG: 794000 -55.2649 24.4779 -9.2377 24.4779 61.954 15.7132 -9.23773 15.7132 1.71752 GPRESSAVG: 794000 -51.9478 25.145 -8.87849 21.3664 60.2918 13.7339 -11.3795 17.2954 1.02227 TIMING: 794000 CPU: 2299.5, 0.0029131/step Wall: 2299.5, 0.0029131/step, 3.40347 hours remaining, 207.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 794000 717.8297 2093.7871 1940.4884 118.8770 -205869.2522 17568.5552 0.0000 0.0000 34277.3640 -149152.3508 299.3527 -183429.7149 -149048.4794 299.4116 -175.6000 -144.0869 556614.3322 2.8022 3.1221 PRESSURE: 794200 162.441 -80.9568 -149.375 -80.9575 47.6083 -84.9341 -149.376 -84.9311 -11.6556 GPRESSURE: 794200 197.585 -74.3037 -144.352 -54.316 69.1823 -56.5093 -125.68 -146.585 32.859 PRESSAVG: 794200 -0.474888 34.7492 -40.1543 34.7492 -10.8149 -49.524 -40.1544 -49.524 1.10219 GPRESSAVG: 794200 -1.76866 33.6348 -39.8232 36.7071 -9.32816 -47.3533 -37.9381 -49.9227 1.46951 TIMING: 794200 CPU: 2300.08, 0.00290512/step Wall: 2300.08, 0.00290512/step, 3.39398 hours remaining, 207.019531 MB of memory in use. ENERGY: 794200 761.3504 2106.1750 1951.1786 116.6981 -206253.2331 17810.0178 0.0000 0.0000 34272.2276 -149235.5855 299.3079 -183507.8131 -149147.8733 299.4342 66.1312 99.8753 555585.0968 -3.3959 -3.2091 PRESSURE: 794400 113.532 2.77294 59.5767 2.77192 33.6162 -20.3915 59.5764 -20.3923 -219.537 GPRESSURE: 794400 189.992 63.6187 97.5599 -8.7145 39.6599 -14.4117 118.678 -103.802 -200.839 PRESSAVG: 794400 39.3542 21.0119 -41.2392 21.0119 -28.3276 -26.1446 -41.2393 -26.1446 -42.9757 GPRESSAVG: 794400 40.0324 22.9417 -40.3518 22.707 -27.9622 -27.8661 -43.3723 -24.6104 -44.1353 TIMING: 794400 CPU: 2300.66, 0.00289234/step Wall: 2300.66, 0.00289234/step, 3.3789 hours remaining, 207.019531 MB of memory in use. ENERGY: 794400 757.7388 2140.7282 1951.5737 103.0793 -206471.7976 17838.5337 0.0000 0.0000 34431.3795 -149248.7645 300.6978 -183680.1440 -149147.2858 299.8898 -24.1295 9.6043 557693.6758 -10.6497 -10.6884 PRESSURE: 794600 -30.4561 153.68 163.888 153.68 35.8671 -47.8926 163.888 -47.8933 -69.4385 GPRESSURE: 794600 25.8264 162.432 140.347 176.184 35.8314 -89.1008 145.247 22.4192 -19.5848 PRESSAVG: 794600 3.73763 13.6663 -31.6663 13.6663 -31.1081 15.3957 -31.6663 15.3957 38.362 GPRESSAVG: 794600 4.15968 14.9308 -32.1005 10.4153 -31.8363 15.8664 -31.584 13.875 38.8314 TIMING: 794600 CPU: 2301.24, 0.00289294/step Wall: 2301.24, 0.00289294/step, 3.37943 hours remaining, 207.019531 MB of memory in use. ENERGY: 794600 756.3237 2149.6090 1975.8807 118.4450 -206385.7728 17831.9031 0.0000 0.0000 34279.4684 -149274.1429 299.3711 -183553.6113 -149170.9719 299.4479 -21.3425 14.0243 559029.7936 3.6638 3.7183 PRESSURE: 794800 302.002 -31.6394 144.029 -31.6389 105.144 -24.5124 144.03 -24.5124 320.295 GPRESSURE: 794800 398.361 -36.9553 170.061 -93.4768 61.5795 29.9472 159.243 -17.3668 359.359 PRESSAVG: 794800 23.983 49.6849 21.2948 49.685 -32.4063 -13.426 21.2948 -13.4259 17.8503 GPRESSAVG: 794800 22.4809 47.3285 19.5621 51.7906 -31.3866 -13.5611 22.8359 -13.34 17.8265 TIMING: 794800 CPU: 2301.82, 0.00290519/step Wall: 2301.82, 0.00290519/step, 3.39358 hours remaining, 207.019531 MB of memory in use. ENERGY: 794800 704.5151 2096.9289 1956.9635 110.8009 -206708.7110 18279.4610 0.0000 0.0000 34301.6253 -149258.4163 299.5646 -183560.0416 -149166.8435 298.8620 242.4802 273.0998 559004.0757 3.1423 2.9736 PRESSURE: 795000 -309.17 33.5296 55.7817 33.5309 215.042 75.1622 55.7814 75.1616 114.07 GPRESSURE: 795000 -206.063 88.6108 -30.3801 109.699 205.279 63.084 71.5201 148.068 112.36 PRESSAVG: 795000 10.2175 -17.6866 12.147 -17.6865 1.62856 16.1707 12.1469 16.1708 29.7455 GPRESSAVG: 795000 10.8483 -15.1811 14.1427 -20.317 0.632409 15.8611 8.96055 16.3545 30.2496 TIMING: 795000 CPU: 2302.39, 0.00288951/step Wall: 2302.39, 0.00288951/step, 3.3751 hours remaining, 207.019531 MB of memory in use. ENERGY: 795000 739.3885 2063.3204 1939.2975 110.0037 -206341.0362 17803.9638 0.0000 0.0000 34176.7446 -149508.3178 298.4740 -183685.0624 -149411.3051 298.0380 6.6473 37.1922 558321.7257 13.8638 13.9101 PRESSURE: 795200 44.8239 78.7858 126.887 78.7864 199.628 -80.0879 126.887 -80.0871 -312.582 GPRESSURE: 795200 7.08305 18.9411 134.289 70.0026 235.731 -88.6255 97.9276 -91.4924 -221.179 PRESSAVG: 795200 34.8931 22.8095 47.476 22.8095 -14.9077 -22.028 47.4761 -22.028 -14.221 GPRESSAVG: 795200 33.9715 18.7103 46.2321 24.4987 -14.296 -23.4887 48.4897 -19.86 -14.2928 TIMING: 795200 CPU: 2302.97, 0.00287444/step Wall: 2302.97, 0.00287445/step, 3.35735 hours remaining, 207.019531 MB of memory in use. ENERGY: 795200 759.7269 2121.0414 1959.7820 115.3482 -206468.4934 17808.5088 0.0000 0.0000 34284.8861 -149419.2001 299.4184 -183704.0862 -149318.1996 298.2254 -22.7100 7.2116 557017.7118 1.9215 1.7943 PRESSURE: 795400 91.7882 65.6815 -9.57529 65.6829 -203.899 -93.0565 -9.57538 -93.0571 -270.715 GPRESSURE: 795400 123.452 -56.3017 -67.2516 88.2887 -161.877 -12.2462 -17.4725 -88.6596 -250.96 PRESSAVG: 795400 41.9539 12.5471 6.04898 12.547 47.8975 69.2928 6.04894 69.2927 -126.61 GPRESSAVG: 795400 43.0752 12.8782 5.7593 13.947 47.0725 70.6118 5.29311 69.1564 -126.621 TIMING: 795400 CPU: 2303.55, 0.0028909/step Wall: 2303.55, 0.0028909/step, 3.37641 hours remaining, 207.019531 MB of memory in use. ENERGY: 795400 732.8756 2106.2580 1948.8923 133.4346 -206192.7942 17605.3534 0.0000 0.0000 34238.6226 -149427.3577 299.0144 -183665.9803 -149331.4944 298.3117 -127.6084 -96.4616 557675.5019 -12.2530 -12.1577 PRESSURE: 795600 175.396 75.6543 -183.155 75.6537 -72.8284 46.9777 -183.154 46.9775 134.886 GPRESSURE: 795600 224.821 48.8763 -162.737 44.2481 -38.4162 163.427 -164.934 -13.4666 133.673 PRESSAVG: 795600 64.0462 -43.1331 -28.8221 -43.133 -60.5775 27.9277 -28.8221 27.9276 -31.3877 GPRESSAVG: 795600 63.617 -43.2115 -29.698 -44.9144 -59.192 26.7015 -26.7881 27.5449 -32.5619 TIMING: 795600 CPU: 2304.13, 0.00290844/step Wall: 2304.13, 0.00290844/step, 3.39673 hours remaining, 207.019531 MB of memory in use. ENERGY: 795600 774.3989 2141.3103 1936.5547 112.9060 -206864.3746 18112.5479 0.0000 0.0000 34330.7349 -149455.9219 299.8188 -183786.6568 -149354.9629 298.6973 79.1511 106.6928 556364.2605 -9.3063 -9.3790 PRESSURE: 795800 -49.2471 152 -42.4887 152.001 -389.601 -14.5308 -42.4893 -14.5314 -222.783 GPRESSURE: 795800 -38.5784 76.6933 -146.29 119.828 -363.39 -148.348 -20.986 -12.2044 -155.629 PRESSAVG: 795800 57.1838 -13.1861 -3.65646 -13.1862 1.51588 24.3632 -3.65636 24.3633 -17.2905 GPRESSAVG: 795800 56.7609 -11.1021 -0.812565 -12.9027 0.420737 24.4351 -5.78051 22.4457 -16.0948 TIMING: 795800 CPU: 2304.71, 0.00288394/step Wall: 2304.71, 0.00288394/step, 3.36796 hours remaining, 207.019531 MB of memory in use. ENERGY: 795800 731.1651 2108.0176 1953.2397 109.1023 -206233.1592 17550.7736 0.0000 0.0000 34298.6876 -149482.1733 299.5390 -183780.8609 -149394.5393 299.3563 -220.5438 -185.8658 557992.0327 13.8031 13.6956 PRESSURE: 796000 -188.047 -60.1044 -44.2804 -60.1042 90.1063 -212.301 -44.2795 -212.3 43.1011 GPRESSURE: 796000 -133.754 -13.9342 39.1691 -44.2445 113.312 -166.446 1.80839 -178.937 70.3675 PRESSAVG: 796000 4.27234 -14.5646 -18.7351 -14.5645 -43.5226 -18.7119 -18.7351 -18.712 0.27078 GPRESSAVG: 796000 3.98271 -16.7358 -20.7407 -15.8337 -42.7142 -18.0635 -17.9294 -18.365 -0.384469 TIMING: 796000 CPU: 2305.29, 0.00290375/step Wall: 2305.29, 0.00290375/step, 3.39093 hours remaining, 207.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 796000 690.4473 2171.4766 1930.2618 105.5426 -206483.5336 17749.0056 0.0000 0.0000 34443.6488 -149393.1509 300.8050 -183836.7997 -149297.3221 298.5854 -18.2799 16.6417 555856.0731 -12.9932 -13.0387 PRESSURE: 796200 -22.1404 -67.5625 215.872 -67.562 68.1668 -32.8601 215.871 -32.8613 82.031 GPRESSURE: 796200 75.5225 -89.8071 214.574 -66.9984 65.7252 49.144 165.389 -99.6355 82.0819 PRESSAVG: 796200 8.28056 -18.7488 35.1732 -18.7487 35.966 -104.067 35.1733 -104.066 -42.5584 GPRESSAVG: 796200 9.86916 -17.1921 35.3699 -18.3862 35.871 -105.63 35.625 -103.657 -44.0322 TIMING: 796200 CPU: 2305.87, 0.00290755/step Wall: 2305.87, 0.00290755/step, 3.39522 hours remaining, 207.019531 MB of memory in use. ENERGY: 796200 727.5146 2139.4295 1940.7212 106.2338 -206331.8065 17780.2171 0.0000 0.0000 34297.8646 -149339.8257 299.5318 -183637.6903 -149246.1556 298.9512 42.6858 74.4432 555947.2173 0.5627 0.5693 LDB: ============= START OF LOAD BALANCING ============== 2309.26 LDB: ============== END OF LOAD BALANCING =============== 2309.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2309.26 LDB: ============= START OF LOAD BALANCING ============== 2309.55 LDB: Largest compute 4820 load 0.030211 is 25.6% of average load 0.117912 LDB: Average compute 0.001712 is 1.5% of average load 0.117912 LDB: TIME 2309.55 LOAD: AVG 0.117912 MAX 0.185658 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.332 MB LDB: TIME 2309.55 LOAD: AVG 0.117912 MAX 0.185658 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.535 MB LDB: TIME 2309.55 LOAD: AVG 0.117912 MAX 0.185658 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.535 MB LDB: ============== END OF LOAD BALANCING =============== 2309.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2309.56 PRESSURE: 796400 111.616 38.4989 29.2749 38.4999 132.46 54.3577 29.275 54.3582 243.118 GPRESSURE: 796400 94.1074 93.7786 -60.2324 -29.5888 241.095 124.079 97.2085 62.4346 260.168 PRESSAVG: 796400 25.6892 1.0247 31.4331 1.02479 -8.47343 30.1646 31.4332 30.1646 17.4493 GPRESSAVG: 796400 23.2686 0.585182 30.5707 2.50327 -7.35557 33.5717 31.7943 29.1645 19.1663 TIMING: 796400 CPU: 2306.46, 0.00296574/step Wall: 2306.46, 0.00296574/step, 3.463 hours remaining, 207.851562 MB of memory in use. ENERGY: 796400 721.4261 2124.8261 1974.6930 109.2186 -206381.9891 17961.0867 0.0000 0.0000 34277.4473 -149213.2914 299.3535 -183490.7386 -149124.3885 299.0438 162.3979 198.4567 556901.5956 11.5551 11.6931 PRESSURE: 796600 -24.2027 -165.241 14.804 -165.241 28.3362 -74.1391 14.8057 -74.1382 59.715 GPRESSURE: 796600 15.9784 -168.891 114.939 -207 99.0327 -64.2436 31.2953 -88.6438 36.8164 PRESSAVG: 796600 -5.10606 16.9849 14.0468 16.9849 -30.8622 -27.2519 14.0466 -27.2519 4.00911 GPRESSAVG: 796600 -3.02793 16.9854 14.6783 17.8654 -32.0116 -26.4266 13.9649 -26.8004 3.16304 TIMING: 796600 CPU: 2307.04, 0.002902/step Wall: 2307.04, 0.002902/step, 3.3884 hours remaining, 208.054688 MB of memory in use. ENERGY: 796600 755.4101 2114.5805 1916.8763 96.6428 -206437.2121 17988.5400 0.0000 0.0000 34238.4763 -149326.6861 299.0131 -183565.1624 -149233.7706 299.0641 21.2829 50.6092 558504.6490 -10.6531 -10.6255 PRESSURE: 796800 -47.6614 -87.0911 -102.164 -87.0898 184.865 44.4179 -102.166 44.4172 -171.355 GPRESSURE: 796800 -32.1596 -131.525 -107.326 -45.4688 221.249 97.071 -52.7787 -15.2544 -132.824 PRESSAVG: 796800 -17.6177 43.5072 0.284281 43.5072 -22.6218 12.7607 0.284254 12.7608 -18.8124 GPRESSAVG: 796800 -19.1074 43.4331 0.726829 40.9201 -21.4646 10.6481 -0.968193 12.4826 -18.3682 TIMING: 796800 CPU: 2307.62, 0.00289612/step Wall: 2307.62, 0.00289612/step, 3.38138 hours remaining, 208.054688 MB of memory in use. ENERGY: 796800 738.6812 2105.6210 1958.8013 102.4195 -206212.0532 17830.8481 0.0000 0.0000 34276.9220 -149198.7601 299.3489 -183475.6821 -149105.7708 299.4095 -11.3838 18.7553 557752.9135 -19.6840 -19.6467 PRESSURE: 797000 51.8471 58.7032 -24.0842 58.7038 303.828 -160.135 -24.0836 -160.135 146.705 GPRESSURE: 797000 84.9547 19.8956 -27.152 49.9285 315.697 -217.395 -110.292 -189.337 185.544 PRESSAVG: 797000 14.54 -24.8951 -25.1452 -24.8951 -0.129461 -4.40887 -25.1451 -4.40886 -14.0186 GPRESSAVG: 797000 14.7851 -24.6352 -25.0522 -22.4964 -0.707124 -4.63561 -23.6548 -3.87853 -13.6386 TIMING: 797000 CPU: 2308.2, 0.00289577/step Wall: 2308.2, 0.00289577/step, 3.38081 hours remaining, 208.054688 MB of memory in use. ENERGY: 797000 751.2156 2148.1137 1932.6352 117.3561 -206297.2693 17996.2165 0.0000 0.0000 34166.6762 -149185.0561 298.3861 -183351.7322 -149087.2877 299.2507 167.4601 195.3985 557454.7440 0.1306 0.1465 PRESSURE: 797200 122.161 93.0575 82.6268 93.0571 -52.0692 49.7463 82.6258 49.7458 33.192 GPRESSURE: 797200 98.5892 67.9405 68.2914 102.225 0.769699 49.1655 55.5588 18.2597 88.0075 PRESSAVG: 797200 -14.4912 13.345 -51.4153 13.345 -18.7542 9.62531 -51.4154 9.6253 55.3039 GPRESSAVG: 797200 -13.9032 15.6047 -51.5412 11.0398 -19.4785 10.1887 -52.0685 8.02072 56.0137 TIMING: 797200 CPU: 2308.78, 0.00288325/step Wall: 2308.78, 0.00288325/step, 3.36604 hours remaining, 208.054688 MB of memory in use. ENERGY: 797200 764.7155 2116.4350 1971.1826 114.0011 -206487.7357 18032.5495 0.0000 0.0000 34305.6321 -149183.2200 299.5996 -183488.8521 -149083.0469 299.0896 34.4279 62.4555 558242.1441 7.3528 7.5440 PRESSURE: 797400 -130.196 -75.3711 -15.3555 -75.3714 -303.296 8.52568 -15.355 8.52538 -704.709 GPRESSURE: 797400 -128.261 -45.8978 29.6181 -104.104 -288.639 33.8157 -42.3671 63.5399 -637.277 PRESSAVG: 797400 -22.8033 23.593 -51.5579 23.5929 85.5679 30.5536 -51.5579 30.5535 -92.276 GPRESSAVG: 797400 -23.0588 20.2862 -52.5494 25.7121 85.7199 30.87 -52.1511 32.1032 -92.5635 TIMING: 797400 CPU: 2309.35, 0.00287944/step Wall: 2309.35, 0.00287944/step, 3.36143 hours remaining, 208.054688 MB of memory in use. ENERGY: 797400 748.4157 2090.1607 1951.6291 119.2603 -205580.6601 17290.7986 0.0000 0.0000 34213.9265 -149166.4693 298.7987 -183380.3958 -149075.6352 299.3096 -379.4003 -351.3922 558035.8297 -9.8371 -9.9675 PRESSURE: 797600 104.261 72.2579 -37.0209 72.2585 5.85429 -34.081 -37.0213 -34.0804 23.9791 GPRESSURE: 797600 175.371 70.852 -54.5782 47.5673 5.67611 0.0018449 -14.4633 -139.404 43.7032 PRESSAVG: 797600 -23.1721 44.2372 -25.0065 44.2372 72.7464 -29.3764 -25.0065 -29.3762 -18.9748 GPRESSAVG: 797600 -23.2389 46.7591 -25.7698 42.5803 72.4402 -30.0605 -23.4052 -29.8682 -18.5525 TIMING: 797600 CPU: 2309.93, 0.00289122/step Wall: 2309.93, 0.00289122/step, 3.37502 hours remaining, 208.054688 MB of memory in use. ENERGY: 797600 741.8758 2112.6927 1963.6203 110.3024 -206379.3247 17996.8159 0.0000 0.0000 34351.3735 -149102.6441 299.9991 -183454.0176 -149010.8906 299.6017 44.6981 74.9168 557055.1698 10.1999 10.2163 PRESSURE: 797800 -188.154 122.603 -58.5573 122.602 30.8258 -73.4746 -58.5572 -73.4743 50.9407 GPRESSURE: 797800 -161.76 35.3886 36.4811 128.671 94.7376 -79.7834 -103.089 -98.0346 60.2403 PRESSAVG: 797800 11.2548 -18.4686 -21.077 -18.4687 18.3639 -10.1782 -21.0769 -10.1781 2.75759 GPRESSAVG: 797800 9.76261 -20.9983 -21.6401 -16.6454 20.0074 -12.5514 -21.1685 -9.56218 2.2951 TIMING: 797800 CPU: 2310.51, 0.0028689/step Wall: 2310.51, 0.0028689/step, 3.3488 hours remaining, 208.054688 MB of memory in use. ENERGY: 797800 778.0640 2157.6496 1941.2074 111.9740 -206280.3278 17895.8198 0.0000 0.0000 34354.4398 -149041.1733 300.0259 -183395.6131 -148940.6944 299.5615 -35.4626 -2.2606 557806.4245 10.7921 10.6884 PRESSURE: 798000 -39.4682 -14.9491 181.264 -14.9508 -17.023 -29.7293 181.264 -29.7288 -332.222 GPRESSURE: 798000 -0.287435 -56.8415 218.006 -48.1035 -33.0679 -12.2979 178.894 -29.2976 -252.867 PRESSAVG: 798000 -41.7601 -25.5039 66.5524 -25.5039 86.0329 -2.3265 66.5524 -2.32648 5.41504 GPRESSAVG: 798000 -40.5917 -23.8805 65.6907 -26.7021 84.6948 1.59123 67.5538 -2.97744 5.38828 TIMING: 798000 CPU: 2311.08, 0.00287911/step Wall: 2311.08, 0.00287911/step, 3.36056 hours remaining, 208.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 798000 762.0934 2099.0535 1954.4495 109.7073 -206176.8945 17832.5304 0.0000 0.0000 34467.7620 -148951.2983 301.0155 -183419.0602 -148849.0725 300.2622 -129.5711 -95.4076 558952.2813 16.5626 16.4971 PRESSURE: 798200 -57.0747 -95.8888 -64.4787 -95.8885 -171.732 -119.895 -64.4781 -119.895 -53.5053 GPRESSURE: 798200 74.0256 -144.613 -118.031 -2.48122 -187.723 -49.6927 -30.9723 -172.209 -81.692 PRESSAVG: 798200 -28.4989 14.5264 54.9409 14.5264 61.0679 -6.36583 54.9409 -6.36583 -48.7213 GPRESSAVG: 798200 -28.5326 15.2181 57.1702 12.1118 61.4382 -8.08253 52.7123 -6.81063 -49.1369 TIMING: 798200 CPU: 2311.66, 0.00288757/step Wall: 2311.66, 0.00288757/step, 3.37028 hours remaining, 208.054688 MB of memory in use. ENERGY: 798200 736.2898 2075.2537 1977.9876 109.3987 -205974.8031 17726.1156 0.0000 0.0000 34303.0497 -149046.7080 299.5771 -183349.7577 -148943.0804 300.1458 -94.1041 -65.1300 558616.5508 -5.3841 -5.4104 PRESSURE: 798400 -235.161 -20.6006 -110.575 -20.6 -248.061 209.283 -110.575 209.282 -49.1889 GPRESSURE: 798400 -210.283 10.6925 -182.022 17.4964 -150.804 236.243 -59.0858 174.374 -71.9536 PRESSAVG: 798400 -15.3926 33.5665 26.1652 33.5666 42.462 1.10033 26.1651 1.10042 0.269 GPRESSAVG: 798400 -15.042 31.6528 25.1983 38.4118 41.9432 1.19557 27.6019 1.1527 0.750907 TIMING: 798400 CPU: 2312.24, 0.00288583/step Wall: 2312.24, 0.00288583/step, 3.36809 hours remaining, 208.054688 MB of memory in use. ENERGY: 798400 784.2213 2095.9527 1937.1022 106.2533 -205905.9934 17746.7263 0.0000 0.0000 34134.9121 -149100.8254 298.1087 -183235.7376 -148996.7224 299.9367 -177.4704 -144.3467 557983.4294 9.1128 9.2174 PRESSURE: 798600 -228.075 9.95396 39.7027 9.95439 -214.782 -88.7575 39.7021 -88.7585 -204.497 GPRESSURE: 798600 -171.359 -24.3485 -32.2414 -49.0305 -219.149 -58.4915 37.4025 -62.8594 -177.78 PRESSAVG: 798600 -17.7932 -59.6246 7.53463 -59.6246 17.2648 63.3778 7.5346 63.3779 -50.2027 GPRESSAVG: 798600 -18.6037 -58.9391 10.2851 -62.6479 17.7763 64.4115 6.23899 63.0161 -49.5704 TIMING: 798600 CPU: 2312.81, 0.002881/step Wall: 2312.81, 0.002881/step, 3.36229 hours remaining, 208.054688 MB of memory in use. ENERGY: 798600 743.7985 2094.6164 1979.1066 101.6172 -205980.0525 17577.7910 0.0000 0.0000 34294.3351 -149188.7876 299.5010 -183483.1227 -149089.8168 299.5079 -215.7847 -189.4291 559148.5066 -16.9104 -16.7993 PRESSURE: 798800 21.4102 53.775 7.17321 53.7749 -94.2142 115.101 7.17287 115.1 -64.8134 GPRESSURE: 798800 14.3367 88.7863 -62.5879 105.48 1.02131 201.494 39.2346 113.655 -55.543 PRESSAVG: 798800 18.9118 -54.1394 -28.6745 -54.1394 51.5514 32.7335 -28.6747 32.7334 -57.9487 GPRESSAVG: 798800 19.9789 -55.6777 -29.5555 -52.817 51.1897 32.197 -27.5608 31.4286 -58.1944 TIMING: 798800 CPU: 2313.39, 0.00287633/step Wall: 2313.39, 0.00287634/step, 3.35668 hours remaining, 208.054688 MB of memory in use. ENERGY: 798800 744.3656 2094.5715 1941.7325 109.8112 -205829.6811 17631.7286 0.0000 0.0000 34327.8031 -148979.6686 299.7932 -183307.4717 -148876.7700 299.6185 -45.8725 -13.3950 558421.1200 4.1715 4.3248 PRESSURE: 799000 11.5983 41.8797 -247.17 41.8797 54.4317 185.584 -247.169 185.585 -116.8 GPRESSURE: 799000 38.5819 23.9615 -133.053 30.778 66.5969 198.419 -305.298 203.311 -70.3146 PRESSAVG: 799000 -12.8319 -9.43004 0.138489 -9.42996 -13.4501 76.6546 0.138638 76.6545 26.4965 GPRESSAVG: 799000 -13.0488 -7.04226 2.18518 -10.316 -13.4157 74.1648 -0.315484 79.2347 26.5713 TIMING: 799000 CPU: 2313.96, 0.00288816/step Wall: 2313.96, 0.00288816/step, 3.37032 hours remaining, 208.054688 MB of memory in use. ENERGY: 799000 735.8878 2148.8587 1977.4995 113.4313 -206242.8660 17879.8214 0.0000 0.0000 34442.5675 -148944.7998 300.7955 -183387.3673 -148850.8199 299.9436 -16.9235 11.6214 557405.1389 0.0715 0.0356 PRESSURE: 799200 306.28 13.4319 56.8786 13.4316 256.487 -141.994 56.8803 -141.993 -162.186 GPRESSURE: 799200 327.428 42.2709 49.3628 -22.7054 295.759 -124.753 19.7864 -171.199 -116.72 PRESSAVG: 799200 -23.1612 -28.4585 -5.66086 -28.4585 6.53451 5.83719 -5.6609 5.83715 -8.03555 GPRESSAVG: 799200 -23.6239 -30.9032 -7.57405 -28.4451 5.88659 7.62343 -4.2497 2.63866 -7.05988 TIMING: 799200 CPU: 2314.54, 0.00286723/step Wall: 2314.54, 0.00286723/step, 3.34573 hours remaining, 208.054688 MB of memory in use. ENERGY: 799200 733.6258 2139.4272 1942.8381 115.2852 -206502.7814 18169.3582 0.0000 0.0000 34352.1322 -149050.1148 300.0057 -183402.2470 -148948.7244 300.9138 133.5270 168.8223 557555.8775 -8.2208 -8.2657 PRESSURE: 799400 -4.61619 -35.2716 43.4671 -35.2715 6.34033 -16.608 43.4672 -16.6079 -202.122 GPRESSURE: 799400 24.9469 -13.306 78.3428 -57.3351 73.2763 48.1509 -35.743 -91.7884 -206.24 PRESSAVG: 799400 -23.4585 -31.6608 -1.75393 -31.6609 25.9045 -35.5389 -1.75389 -35.5388 -4.42649 GPRESSAVG: 799400 -24.0688 -30.8119 0.360678 -31.762 26.0511 -34.2377 -5.23216 -35.6636 -4.39565 TIMING: 799400 CPU: 2315.12, 0.00288978/step Wall: 2315.12, 0.00288978/step, 3.37189 hours remaining, 208.054688 MB of memory in use. ENERGY: 799400 756.1093 2100.1991 1958.5580 119.6522 -205923.6140 17854.9013 0.0000 0.0000 34108.4847 -149025.7094 297.8779 -183134.1940 -148925.6605 299.7149 -66.7993 -36.0057 558986.4519 -0.6602 -0.8044 PRESSURE: 799600 160.796 -139.709 -84.1898 -139.71 39.2315 273.424 -84.1895 273.425 -446.289 GPRESSURE: 799600 141.71 -125.715 -138.475 -72.9729 102.746 278.169 -74.9896 231.946 -402.984 PRESSAVG: 799600 11.4469 -84.3169 -22.6501 -84.3169 10.1107 -46.9785 -22.6501 -46.9786 -18.6874 GPRESSAVG: 799600 11.7638 -83.6033 -23.6631 -84.0031 10.8675 -48.5812 -20.7815 -44.9004 -19.4286 TIMING: 799600 CPU: 2315.69, 0.00288944/step Wall: 2315.69, 0.00288944/step, 3.37134 hours remaining, 208.054688 MB of memory in use. ENERGY: 799600 746.5404 2114.7797 1971.3025 114.8782 -206091.8419 17827.0269 0.0000 0.0000 34290.8714 -149026.4428 299.4707 -183317.3142 -148923.5117 298.9125 -82.0873 -52.8430 558495.2278 0.9567 1.0676 PRESSURE: 799800 41.8931 -169.033 -4.90712 -169.032 -122.158 121.589 -4.90691 121.59 152.726 GPRESSURE: 799800 89.2634 -144.746 -49.6555 -124.818 -101.493 30.3165 -16.2186 243.036 184.036 PRESSAVG: 799800 -45.4058 -24.4602 -78.5102 -24.4602 -4.74216 -16.0755 -78.5101 -16.0756 -15.9027 GPRESSAVG: 799800 -45.217 -23.9712 -79.0646 -24.7003 -5.3875 -14.2785 -79.6745 -15.1739 -15.6032 TIMING: 799800 CPU: 2316.27, 0.00287675/step Wall: 2316.27, 0.00287675/step, 3.35637 hours remaining, 208.054688 MB of memory in use. ENERGY: 799800 783.4333 2055.4262 1925.5280 119.4519 -206525.6580 18043.3900 0.0000 0.0000 34512.7539 -149085.6746 301.4085 -183598.4286 -148976.6050 299.2605 24.1534 57.2687 556823.4281 -22.0169 -22.0692 PRESSURE: 800000 -230.095 -41.2637 44.3864 -41.2636 -41.3845 52.9609 44.3865 52.9634 -91.1939 GPRESSURE: 800000 -199.86 -104.172 11.2241 -48.3549 -16.7252 65.4433 79.5514 8.03703 -58.9867 PRESSAVG: 800000 -54.4077 -51.696 -30.9839 -51.696 15.1515 -48.8439 -30.9838 -48.8439 47.4227 GPRESSAVG: 800000 -54.2413 -51.0332 -32.6439 -52.1459 15.3814 -49.9955 -29.1915 -50.7338 46.8769 TIMING: 800000 CPU: 2316.85, 0.00288449/step Wall: 2316.85, 0.00288449/step, 3.36524 hours remaining, 208.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 800000 771.6518 2121.5861 1947.5313 103.7409 -205962.3020 17561.1125 0.0000 0.0000 34219.9862 -149236.6933 298.8517 -183456.6794 -149149.5200 299.2141 -120.8911 -91.8572 558002.3362 2.7222 2.6723 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.010 seconds, 208.055 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800200 -174.994 -3.82171 177.577 -3.82278 -32.8635 69.9145 177.577 69.9157 -249.59 GPRESSURE: 800200 -162.529 -23.4006 128.936 -29.8418 -31.2098 126.759 254.547 0.567024 -160.483 PRESSAVG: 800200 -25.8027 -19.939 -20.8664 -19.9389 37.0038 -18.4824 -20.8664 -18.4824 -30.0626 GPRESSAVG: 800200 -25.392 -20.0046 -20.2807 -19.4806 36.3391 -17.2882 -21.409 -17.7758 -29.326 TIMING: 800200 CPU: 2317.44, 0.00298102/step Wall: 2317.44, 0.00298102/step, 3.47769 hours remaining, 208.054688 MB of memory in use. ENERGY: 800200 758.6594 2102.6528 1953.9570 127.9149 -205653.8323 17281.9015 0.0000 0.0000 34087.7142 -149341.0325 297.6965 -183428.7467 -149247.5839 299.3714 -152.4824 -118.0741 557057.3629 -6.2871 -6.1263 LDB: ============= START OF LOAD BALANCING ============== 2320.83 LDB: ============== END OF LOAD BALANCING =============== 2320.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2320.83 LDB: ============= START OF LOAD BALANCING ============== 2321.12 LDB: Largest compute 4820 load 0.028516 is 24.2% of average load 0.117971 LDB: Average compute 0.001714 is 1.5% of average load 0.117971 LDB: TIME 2321.12 LOAD: AVG 0.117971 MAX 0.185744 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.625 MB LDB: TIME 2321.12 LOAD: AVG 0.117971 MAX 0.185744 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: TIME 2321.12 LOAD: AVG 0.117971 MAX 0.185744 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: ============== END OF LOAD BALANCING =============== 2321.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2321.13 PRESSURE: 800400 160.948 4.86912 -70.5849 4.86848 245.909 -43.2435 -70.5849 -43.2442 -229.198 GPRESSURE: 800400 176.8 -42.6346 -106.16 51.7074 248.992 -29.0934 -43.1047 -57.2405 -153.681 PRESSAVG: 800400 -2.32658 -7.53557 25.9841 -7.53552 11.8273 -20.4813 25.9842 -20.4813 11.6673 GPRESSAVG: 800400 -4.41714 -9.26211 26.1064 -7.50351 13.7392 -22.8363 26.4956 -20.2338 11.7711 TIMING: 800400 CPU: 2318.03, 0.00294413/step Wall: 2318.03, 0.00294413/step, 3.43449 hours remaining, 207.273438 MB of memory in use. ENERGY: 800400 770.1785 2121.4411 1938.9896 111.1218 -206498.7429 17884.8835 0.0000 0.0000 34388.0845 -149284.0439 300.3197 -183672.1284 -149190.7949 298.9252 59.2195 90.7039 555307.4997 7.0560 7.0311 PRESSURE: 800600 -430.003 58.0376 -78.6268 58.0364 222.939 -6.2985 -78.6265 -6.29873 1.9095 GPRESSURE: 800600 -410.477 18.5166 -51.8219 114.886 239.658 6.97802 -152.332 -33.7876 67.3359 PRESSAVG: 800600 24.1666 2.31226 -11.5505 2.31219 48.4328 27.0947 -11.5504 27.0946 -50.4748 GPRESSAVG: 800600 26.3808 3.33525 -13.1215 3.06852 47.324 27.7324 -11.3857 26.0414 -51.5384 TIMING: 800600 CPU: 2318.61, 0.00288014/step Wall: 2318.61, 0.00288014/step, 3.35968 hours remaining, 207.476562 MB of memory in use. ENERGY: 800600 765.2947 2079.8404 1950.7670 95.9532 -206149.8101 17832.0160 0.0000 0.0000 34099.7528 -149326.1861 297.8016 -183425.9389 -149231.0996 298.4585 -68.3849 -34.4945 557731.3237 7.3749 7.3888 PRESSURE: 800800 29.9856 31.1566 -146.699 31.1571 22.4994 -59.4378 -146.7 -59.4383 3.75473 GPRESSURE: 800800 81.2906 17.3242 -99.3649 -31.9614 1.76847 -42.3812 -102.53 -5.628 67.3421 PRESSAVG: 800800 5.3717 4.95482 -13.2245 4.95465 53.5762 -24.9011 -13.2247 -24.9013 -35.206 GPRESSAVG: 800800 4.00441 5.77077 -12.4842 6.05317 53.5694 -21.6476 -10.8535 -25.2013 -33.5467 TIMING: 800800 CPU: 2319.18, 0.00288425/step Wall: 2319.18, 0.00288425/step, 3.36432 hours remaining, 207.476562 MB of memory in use. ENERGY: 800800 724.5384 2050.5730 1968.1185 117.7860 -206482.2169 17941.3603 0.0000 0.0000 34278.0138 -149401.8269 299.3584 -183679.8407 -149306.2880 299.0683 18.7466 50.1337 559768.3979 7.9140 8.0090 PRESSURE: 801000 389.932 -43.5216 187.954 -43.5199 -74.5162 -81.0819 187.954 -81.0805 -52.3366 GPRESSURE: 801000 401.708 -86.2233 123.533 -10.5541 -46.5453 -90.8598 225.758 -139.34 18.9447 PRESSAVG: 801000 11.3253 -15.803 59.6052 -15.8031 2.75075 -25.2118 59.6052 -25.2117 -1.44488 GPRESSAVG: 801000 11.6803 -16.8634 58.8651 -17.5815 3.49327 -26.0753 57.3032 -27.3227 -2.33658 TIMING: 801000 CPU: 2319.77, 0.00291689/step Wall: 2319.77, 0.00291689/step, 3.40223 hours remaining, 207.476562 MB of memory in use. ENERGY: 801000 719.1651 2135.3326 1927.4544 114.5819 -206342.6528 17942.6295 0.0000 0.0000 34183.0871 -149320.4023 298.5294 -183503.4893 -149226.1658 298.8673 87.6931 124.7025 558328.9386 4.2104 4.2790 PRESSURE: 801200 171.3 -64.0147 82.8549 -64.015 -160.615 -110.392 82.8553 -110.391 -132.971 GPRESSURE: 801200 211.394 -96.8884 112.003 -104.446 -159.064 -100.924 28.7013 -60.5053 -78.9006 PRESSAVG: 801200 65.2423 0.822077 30.2496 0.822091 8.53043 -32.1938 30.2496 -32.1938 -78.0997 GPRESSAVG: 801200 64.0213 1.69417 31.7965 0.711562 7.80454 -32.6451 29.0047 -29.0687 -76.1579 TIMING: 801200 CPU: 2320.35, 0.00291492/step Wall: 2320.35, 0.00291492/step, 3.39977 hours remaining, 207.476562 MB of memory in use. ENERGY: 801200 745.7917 2137.3798 1954.4935 114.7175 -206005.5492 17844.9346 0.0000 0.0000 33985.7124 -149222.5197 296.8057 -183208.2321 -149118.1231 298.8280 -40.7623 -8.8569 558646.3855 -1.4423 -1.4440 PRESSURE: 801400 6.81461 -34.8474 -76.0598 -34.847 148.913 -26.8993 -76.06 -26.8988 -44.5537 GPRESSURE: 801400 59.7322 13.8572 -133.686 -105.385 176.406 -5.9389 5.23417 -14.3297 -33.7353 PRESSAVG: 801400 35.9974 -33.8615 -5.46707 -33.8615 14.4656 -22.9987 -5.46716 -22.9987 -17.5102 GPRESSAVG: 801400 36.0749 -34.7783 -5.95166 -33.6435 16.0811 -24.1366 -6.10168 -23.4588 -19.359 TIMING: 801400 CPU: 2320.93, 0.00290496/step Wall: 2320.93, 0.00290496/step, 3.38799 hours remaining, 207.476562 MB of memory in use. ENERGY: 801400 702.0455 2076.4025 1954.8535 107.7309 -206362.5690 17907.5821 0.0000 0.0000 34227.4584 -149386.4961 298.9169 -183613.9545 -149295.5515 298.6800 37.0579 67.4677 556837.6901 10.9842 10.9323 PRESSURE: 801600 -63.6856 -44.0694 -113.395 -44.0687 247.147 23.7471 -113.395 23.7465 -73.4264 GPRESSURE: 801600 30.2661 -77.3859 27.7147 -130.295 205.405 -37.3172 -161.067 68.7566 -35.0831 PRESSAVG: 801600 -84.8763 -8.19825 -31.6143 -8.19821 15.8848 25.8425 -31.6143 25.8425 28.7673 GPRESSAVG: 801600 -83.4278 -8.97357 -33.1643 -8.03246 13.3327 25.5282 -29.2994 24.6776 30.0515 TIMING: 801600 CPU: 2321.52, 0.00292887/step Wall: 2321.52, 0.00292887/step, 3.41571 hours remaining, 207.476562 MB of memory in use. ENERGY: 801600 764.9281 2043.1688 1949.1413 104.5770 -206480.9555 17915.8367 0.0000 0.0000 34304.2609 -149399.0427 299.5876 -183703.3036 -149306.7380 297.8799 36.6784 66.8626 556210.2547 -13.4081 -13.3479 PRESSURE: 801800 279.056 72.1603 -51.2195 72.16 266.357 -227.493 -51.2203 -227.492 209.097 GPRESSURE: 801800 322.608 89.064 -60.6258 19.2017 281.602 -317.876 -74.046 -198.888 244.349 PRESSAVG: 801800 -55.295 -62.3165 -13.6852 -62.3165 -0.597176 -7.97964 -13.6852 -7.97966 42.2612 GPRESSAVG: 801800 -55.0538 -63.3064 -12.1421 -63.0905 -0.0248214 -7.46112 -13.3438 -6.29487 41.5117 TIMING: 801800 CPU: 2322.1, 0.00293055/step Wall: 2322.1, 0.00293055/step, 3.41751 hours remaining, 207.476562 MB of memory in use. ENERGY: 801800 718.7074 2069.6161 1947.2307 112.0436 -206568.2580 18203.4671 0.0000 0.0000 34096.3198 -149420.8733 297.7716 -183517.1931 -149327.8965 298.8004 251.5032 282.8530 555785.6604 -4.5437 -4.5223 PRESSURE: 802000 45.5158 -15.3475 57.5343 -15.3482 190.326 35.933 57.5334 35.933 11.1821 GPRESSURE: 802000 107.509 28.8934 81.573 -64.6457 228.523 105.044 -64.722 -19.2496 8.89152 PRESSAVG: 802000 40.1908 22.5455 -52.015 22.5454 15.6132 -2.99067 -52.015 -2.99066 -11.0903 GPRESSAVG: 802000 39.4755 23.4907 -52.688 23.1308 15.8749 -2.33705 -54.0071 -2.66632 -10.5775 TIMING: 802000 CPU: 2322.69, 0.00294178/step Wall: 2322.69, 0.00294178/step, 3.43044 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 802000 728.2349 2068.6877 1955.4184 116.1084 -206618.9945 18021.5462 0.0000 0.0000 34331.4126 -149397.5862 299.8248 -183728.9988 -149309.4404 298.1704 82.3412 114.9745 555503.4661 14.9045 14.9243 PRESSURE: 802200 -115.359 96.429 -69.119 96.4286 -134.889 -21.9718 -69.1184 -21.9723 -214.74 GPRESSURE: 802200 -67.992 68.6239 -0.964491 120.504 -120.659 8.2891 -9.10637 46.519 -183.817 PRESSAVG: 802200 -46.6683 68.5243 -50.0017 68.5244 104.076 24.2105 -50.0017 24.2104 -16.9014 GPRESSAVG: 802200 -47.1084 69.4401 -49.6413 69.0215 104.397 24.0305 -50.4459 24.6044 -17.2146 TIMING: 802200 CPU: 2323.27, 0.00288834/step Wall: 2323.27, 0.00288834/step, 3.36797 hours remaining, 207.476562 MB of memory in use. ENERGY: 802200 733.5029 2089.5503 1946.6027 98.0820 -206661.9455 17925.1691 0.0000 0.0000 34515.1312 -149353.9072 301.4292 -183869.0385 -149255.3408 298.5226 -154.9959 -124.1560 557707.7336 13.5021 13.3582 PRESSURE: 802400 32.6189 100.814 -101.438 100.814 112.687 44.242 -101.439 44.242 224.669 GPRESSURE: 802400 135.975 5.51442 -124.32 90.9425 89.224 92.1417 -30.9143 32.248 240.859 PRESSAVG: 802400 -3.75634 43.0923 -7.51049 43.0923 18.1613 -33.8295 -7.51045 -33.8294 -6.22967 GPRESSAVG: 802400 -3.53964 41.0807 -9.81117 43.9722 18.0151 -32.6754 -4.52251 -34.6805 -5.94646 TIMING: 802400 CPU: 2323.85, 0.0028992/step Wall: 2323.85, 0.0028992/step, 3.38047 hours remaining, 207.476562 MB of memory in use. ENERGY: 802400 756.1671 2122.2138 1927.7930 116.0321 -206443.2887 18032.0869 0.0000 0.0000 34276.2502 -149212.7456 299.3430 -183488.9958 -149122.4186 299.2772 123.3249 155.3530 557523.2150 2.7251 2.8430 PRESSURE: 802600 18.7395 43.5825 -88.4883 43.5818 319.09 -143.183 -88.4873 -143.183 -76.3856 GPRESSURE: 802600 33.4434 64.3796 -87.3977 97.8765 384.367 -200.402 -102.014 -200.902 -64.1353 PRESSAVG: 802600 -36.1643 -7.48448 17.8958 -7.48463 91.7666 -34.8967 17.8957 -34.8968 -32.3307 GPRESSAVG: 802600 -34.5517 -5.71043 19.0557 -9.14254 90.9686 -35.6147 16.0152 -36.7777 -33.8206 TIMING: 802600 CPU: 2324.43, 0.00290777/step Wall: 2324.43, 0.00290777/step, 3.3903 hours remaining, 207.476562 MB of memory in use. ENERGY: 802600 759.7151 2103.0913 1939.6927 109.5183 -206439.1403 17987.2678 0.0000 0.0000 34113.2685 -149426.5866 297.9197 -183539.8551 -149333.7187 298.6849 87.1479 117.8918 557887.8956 7.7572 7.5321 PRESSURE: 802800 -245.512 -48.1917 56.1013 -48.1924 -127.677 97.5497 56.1009 97.548 -393.104 GPRESSURE: 802800 -172.715 -65.0692 65.7625 -16.3061 -101.488 47.5354 -17.7518 113.248 -401.868 PRESSAVG: 802800 -14.4043 5.43983 -24.6782 5.43975 -54.7909 -9.47356 -24.6781 -9.47362 37.0408 GPRESSAVG: 802800 -16.2736 3.24642 -23.5339 7.61321 -54.501 -7.83979 -24.536 -8.39425 38.4657 TIMING: 802800 CPU: 2325.01, 0.00289093/step Wall: 2325.01, 0.00289093/step, 3.3705 hours remaining, 207.476562 MB of memory in use. ENERGY: 802800 732.7864 2080.3569 1946.3664 107.4061 -205936.9261 17457.6625 0.0000 0.0000 34086.0743 -149526.2734 297.6822 -183612.3477 -149426.4500 298.5041 -255.4313 -225.3573 558282.8997 -10.7182 -10.7696 PRESSURE: 803000 -308.087 -53.5766 -163.128 -53.5769 -117.925 -64.5117 -163.129 -64.5129 24.648 GPRESSURE: 803000 -311.85 14.4411 -233.9 -51.6562 -75.285 -3.21111 -108.031 -137.088 78.4949 PRESSAVG: 803000 -12.5367 9.27373 -74.9007 9.27374 -20.3839 48.6875 -74.9006 48.6874 44.6968 GPRESSAVG: 803000 -12.6032 12.2739 -76.6386 6.53298 -19.9622 47.7723 -74.7373 49.5968 44.054 TIMING: 803000 CPU: 2325.59, 0.00291289/step Wall: 2325.59, 0.00291289/step, 3.39594 hours remaining, 207.476562 MB of memory in use. ENERGY: 803000 730.0541 2057.8423 1920.5901 107.4168 -206232.2207 17697.8897 0.0000 0.0000 34063.1716 -149655.2560 297.4821 -183718.4276 -149560.0495 298.1117 -133.7880 -102.8799 557531.9605 3.9254 3.8295 PRESSURE: 803200 130.493 79.2958 65.4971 79.2956 -60.7006 34.5425 65.4983 34.5429 44.6624 GPRESSURE: 803200 156.853 131.906 61.1223 62.6534 -57.2142 8.27488 84.3551 100.967 103.545 PRESSAVG: 803200 -16.753 -16.4741 -17.3607 -16.4741 61.3637 12.4633 -17.3606 12.4633 -15.5042 GPRESSAVG: 803200 -15.9297 -19.0693 -16.6225 -13.6173 61.2627 13.1598 -16.1549 12.0877 -16.7894 TIMING: 803200 CPU: 2326.17, 0.00289589/step Wall: 2326.17, 0.00289589/step, 3.37596 hours remaining, 207.476562 MB of memory in use. ENERGY: 803200 745.8630 2041.8340 1969.1321 123.3801 -206825.1874 18112.7939 0.0000 0.0000 34161.0393 -149671.1449 298.3369 -183832.1842 -149576.8130 298.9702 38.1516 67.7279 557899.1104 9.7021 9.5145 PRESSURE: 803400 -148.104 69.5498 15.7937 69.5497 48.7796 61.2943 15.7944 61.2942 -135.911 GPRESSURE: 803400 -126.49 147.559 0.296305 52.9915 94.8368 80.5307 97.8399 -27.2602 -113.838 PRESSAVG: 803400 29.8356 85.3102 46.5283 85.3102 -14.8188 -15.6301 46.5283 -15.6301 15.7447 GPRESSAVG: 803400 29.5935 87.3847 45.8979 84.2739 -16.4348 -17.0988 46.4925 -15.2052 17.6462 TIMING: 803400 CPU: 2326.75, 0.00290965/step Wall: 2326.75, 0.00290965/step, 3.39185 hours remaining, 207.476562 MB of memory in use. ENERGY: 803400 704.1428 2054.9443 1940.4675 111.0177 -206277.8938 17844.9317 0.0000 0.0000 34188.5485 -149433.8412 298.5771 -183622.3897 -149333.0786 298.9579 -78.4117 -48.4973 557624.7662 10.2538 10.2683 PRESSURE: 803600 27.9494 116.784 -96.5874 116.784 141.705 -40.5927 -96.5874 -40.5928 11.7791 GPRESSURE: 803600 25.5744 179.913 -137.651 73.2524 173.043 32.3369 -79.6961 -106.135 80.3185 PRESSAVG: 803600 -31.1626 61.7868 -32.3795 61.7867 51.7484 -19.0424 -32.3795 -19.0423 -38.9913 GPRESSAVG: 803600 -32.1568 62.5957 -31.3424 59.4529 54.0059 -19.0691 -34.4349 -18.5978 -40.994 TIMING: 803600 CPU: 2327.33, 0.00287694/step Wall: 2327.33, 0.00287694/step, 3.35355 hours remaining, 207.476562 MB of memory in use. ENERGY: 803600 738.9150 2070.7287 1929.4513 103.3960 -206567.9130 17969.7923 0.0000 0.0000 34411.6161 -149344.0136 300.5252 -183755.6297 -149246.2838 298.6777 60.4780 92.9785 556111.5178 -6.1352 -6.3816 PRESSURE: 803800 8.2185 0.927641 18.5293 0.927291 -56.217 56.1978 18.5291 56.1977 90.3336 GPRESSURE: 803800 79.5182 2.27866 67.3954 -31.8679 -51.745 48.104 -6.05687 19.8851 105.546 PRESSAVG: 803800 -12.0158 -11.866 -17.8747 -11.8661 7.65198 -5.1543 -17.8747 -5.15432 20.4746 GPRESSAVG: 803800 -10.635 -13.7026 -16.9321 -8.99332 6.28023 -5.09364 -17.6758 -8.23579 20.6249 TIMING: 803800 CPU: 2327.9, 0.00288045/step Wall: 2327.9, 0.00288045/step, 3.35749 hours remaining, 207.476562 MB of memory in use. ENERGY: 803800 714.6032 2050.7411 1947.0608 105.4787 -206463.4694 17987.5247 0.0000 0.0000 34249.2045 -149408.8564 299.1068 -183658.0608 -149319.1349 298.8965 14.1117 44.4396 557970.0169 5.3703 5.4233 PRESSURE: 804000 -11.8251 128.733 -145.163 128.734 -154.073 2.04682 -145.163 2.04623 -273.498 GPRESSURE: 804000 -32.4984 76.7193 -173.342 53.6688 -79.0103 -62.8086 -84.3477 60.8546 -240.533 PRESSAVG: 804000 1.02883 25.8638 -3.29854 25.8638 56.7965 -43.8139 -3.29855 -43.814 -68.4295 GPRESSAVG: 804000 0.890175 25.8213 -5.21611 24.7959 56.2879 -44.2067 -2.46582 -40.9391 -67.5418 TIMING: 804000 CPU: 2328.49, 0.00290794/step Wall: 2328.49, 0.00290794/step, 3.38937 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 804000 716.0849 2042.8968 1971.5369 110.6238 -206414.7302 17677.0040 0.0000 0.0000 34422.6755 -149473.9083 300.6218 -183896.5838 -149376.2977 298.9859 -146.4653 -117.3473 557045.7059 -3.5348 -3.4546 PRESSURE: 804200 23.236 -89.6192 -70.9543 -89.6191 -126.684 11.0911 -70.9547 11.0916 -289.048 GPRESSURE: 804200 19.3505 -95.2373 -129.65 -94.3574 -97.7015 -46.3746 -113.996 101.428 -229.546 PRESSAVG: 804200 37.0132 67.5484 -61.6054 67.5483 6.65608 -21.0649 -61.6054 -21.0649 -39.485 GPRESSAVG: 804200 35.6011 68.1765 -59.6087 66.7429 8.98909 -21.6636 -61.3305 -21.8574 -40.4723 TIMING: 804200 CPU: 2329.06, 0.0028875/step Wall: 2329.06, 0.0028875/step, 3.36538 hours remaining, 207.476562 MB of memory in use. ENERGY: 804200 738.3924 2077.0940 1938.4408 102.7124 -206210.0629 17712.6136 0.0000 0.0000 34200.7824 -149440.0273 298.6839 -183640.8097 -149345.5705 298.4364 -130.8320 -102.6325 558803.1702 1.3948 1.3726 LDB: ============= START OF LOAD BALANCING ============== 2332.45 LDB: ============== END OF LOAD BALANCING =============== 2332.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2332.45 LDB: ============= START OF LOAD BALANCING ============== 2332.74 LDB: Largest compute 4820 load 0.029633 is 25.1% of average load 0.117934 LDB: Average compute 0.001714 is 1.5% of average load 0.117934 LDB: TIME 2332.75 LOAD: AVG 0.117934 MAX 0.190267 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.668 MB LDB: TIME 2332.75 LOAD: AVG 0.117934 MAX 0.190267 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: TIME 2332.75 LOAD: AVG 0.117934 MAX 0.190267 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2332.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2332.75 PRESSURE: 804400 -183.877 -124.846 2.87929 -124.847 168.844 -145.138 2.87928 -145.136 -56.0801 GPRESSURE: 804400 -167.992 -134.305 -10.9649 -72.9169 178.71 -137.914 -49.1551 -147.459 10.4642 PRESSAVG: 804400 39.0387 -10.2374 -34.3003 -10.2374 30.5223 -27.4161 -34.3003 -27.4162 -68.4566 GPRESSAVG: 804400 39.799 -9.12162 -35.1955 -10.6757 28.339 -24.7572 -35.4759 -27.6256 -67.2962 TIMING: 804400 CPU: 2329.66, 0.00296691/step Wall: 2329.66, 0.00296691/step, 3.45777 hours remaining, 206.691406 MB of memory in use. ENERGY: 804400 727.7774 2117.2383 1967.7213 103.3127 -205984.0780 17743.6967 0.0000 0.0000 33958.7668 -149365.5647 296.5704 -183324.3315 -149273.6294 299.2023 -23.7041 7.0607 558053.2623 0.3681 0.2806 PRESSURE: 804600 94.376 18.6881 130.277 18.6878 -86.5102 254.526 130.276 254.527 -131.213 GPRESSURE: 804600 121.835 18.4546 81.1266 -22.0847 -72.4148 275.267 162.273 223.956 -70.5972 PRESSAVG: 804600 -40.8563 4.80487 -39.8411 4.80491 43.8985 3.70758 -39.8411 3.70763 -46.8846 GPRESSAVG: 804600 -41.2481 2.20302 -38.3174 5.29603 44.3455 3.59915 -40.8268 3.53066 -46.723 TIMING: 804600 CPU: 2330.23, 0.00289015/step Wall: 2330.23, 0.00289015/step, 3.36815 hours remaining, 206.894531 MB of memory in use. ENERGY: 804600 756.7226 2096.2863 1952.7363 110.8418 -206408.6691 17857.5891 0.0000 0.0000 34253.0203 -149381.4728 299.1401 -183634.4931 -149291.6414 299.0345 -41.1156 -7.0591 556619.8208 -14.6141 -14.5419 PRESSURE: 804800 3.66108 -165.014 -138.189 -165.014 -136.487 77.025 -138.19 77.025 -183.018 GPRESSURE: 804800 -14.8625 -260.372 -176.475 -125.263 -52.2337 32.1326 -19.8422 84.6947 -145.173 PRESSAVG: 804800 37.7077 -21.0317 -23.0684 -21.0317 -36.0681 44.1436 -23.0684 44.1435 -15.0809 GPRESSAVG: 804800 37.6308 -19.6698 -24.5661 -21.1214 -35.5988 42.8113 -20.0908 43.8744 -15.5169 TIMING: 804800 CPU: 2330.81, 0.00288838/step Wall: 2330.81, 0.00288838/step, 3.36592 hours remaining, 206.894531 MB of memory in use. ENERGY: 804800 730.6229 2100.1533 1968.3526 135.8612 -206190.6259 17533.3807 0.0000 0.0000 34337.2162 -149385.0389 299.8754 -183722.2552 -149289.6102 298.9428 -105.2812 -70.7564 555915.5530 -4.4804 -4.4950 PRESSURE: 805000 -186.614 -98.8738 14.8844 -98.8744 -33.8585 45.7054 14.8846 45.7057 -105.609 GPRESSURE: 805000 -112.448 -153.239 -7.52746 -112.706 -41.8669 10.4211 29.4328 27.9636 -83.9197 PRESSAVG: 805000 15.169 -35.3008 -12.6031 -35.3008 17.4694 19.1856 -12.6031 19.1856 -38.2945 GPRESSAVG: 805000 15.7013 -36.0671 -11.4589 -35.7457 16.8711 19.3357 -14.6576 18.1272 -38.0026 TIMING: 805000 CPU: 2331.39, 0.00289543/step Wall: 2331.39, 0.00289543/step, 3.37397 hours remaining, 206.894531 MB of memory in use. ENERGY: 805000 754.9097 2091.0769 1932.6134 109.9691 -206318.2087 17663.5930 0.0000 0.0000 34450.0278 -149316.0187 300.8607 -183766.0465 -149216.0774 298.3030 -108.6939 -79.4117 555798.5482 -1.8854 -1.8101 PRESSURE: 805200 -76.251 -152.022 11.0104 -152.021 319.024 39.682 11.0114 39.6816 21.542 GPRESSURE: 805200 -45.0634 -25.2689 34.7839 -197.419 324.44 68.6883 26.6103 87.5114 62.586 PRESSAVG: 805200 -40.0791 -2.76558 -1.4288 -2.76546 28.5249 58.1799 -1.42874 58.1799 26.7423 GPRESSAVG: 805200 -41.2015 0.48583 -1.81637 -5.31709 29.5133 59.603 -1.5785 59.435 26.553 TIMING: 805200 CPU: 2331.97, 0.00289162/step Wall: 2331.97, 0.00289162/step, 3.36938 hours remaining, 206.894531 MB of memory in use. ENERGY: 805200 754.5607 2058.7782 1968.2147 108.1968 -206357.4365 17850.9484 0.0000 0.0000 34084.1174 -149532.6204 297.6651 -183616.7378 -149438.3991 298.3139 88.1050 113.9874 556255.7261 5.0627 4.9549 PRESSURE: 805400 52.9487 -21.4615 13.8976 -21.4618 -87.6245 51.5137 13.8977 51.5152 -225.977 GPRESSURE: 805400 68.3905 -103.086 7.99359 -22.1431 -37.4794 -31.8487 140.931 107.899 -189.34 PRESSAVG: 805400 -48.2709 -14.6884 21.6775 -14.6884 27.4769 40.0629 21.6775 40.0629 20.3834 GPRESSAVG: 805400 -48.518 -18.0544 21.5499 -12.7238 27.7066 39.4104 21.988 39.7909 20.191 TIMING: 805400 CPU: 2332.55, 0.00289333/step Wall: 2332.55, 0.00289333/step, 3.37121 hours remaining, 206.894531 MB of memory in use. ENERGY: 805400 756.5046 2057.8926 1967.6204 104.9188 -206134.4970 17695.0251 0.0000 0.0000 34036.6378 -149515.8977 297.2504 -183552.5355 -149420.6534 298.2670 -86.8842 -52.8097 556495.4331 -0.1369 -0.2068 PRESSURE: 805600 339.433 67.4916 123.234 67.4906 -89.8523 -16.7284 123.234 -16.727 14.8341 GPRESSURE: 805600 327.494 -1.42283 103.792 103.802 -60.4355 -103.272 116.771 -0.276485 94.6842 PRESSAVG: 805600 -17.2465 -2.41757 11.1886 -2.4176 -20.5245 20.5945 11.1885 20.5945 20.3944 GPRESSAVG: 805600 -17.5313 -0.674254 13.7145 -3.37384 -20.9115 20.9138 11.8081 19.9987 20.8742 TIMING: 805600 CPU: 2333.13, 0.00291356/step Wall: 2333.13, 0.00291355/step, 3.39462 hours remaining, 206.894531 MB of memory in use. ENERGY: 805600 737.2982 2021.4262 1960.3393 120.7575 -206431.3002 17775.7642 0.0000 0.0000 34176.8721 -149638.8426 298.4751 -183815.7147 -149541.2106 297.2400 88.1382 120.5808 556492.2204 -5.7922 -5.8562 PRESSURE: 805800 318.956 -98.7142 134.913 -98.713 -2.94501 43.0125 134.913 43.0127 -43.9506 GPRESSURE: 805800 384.614 -62.4105 178.827 -51.6256 -10.0909 69.4258 121.598 -12.7028 -16.462 PRESSAVG: 805800 22.4346 -26.7471 -9.14042 -26.7471 8.30757 15.0219 -9.14037 15.0219 -5.64032 GPRESSAVG: 805800 23.3995 -28.5395 -12.3976 -24.2501 7.24193 15.3388 -9.34548 15.484 -5.52983 TIMING: 805800 CPU: 2333.72, 0.00295259/step Wall: 2333.72, 0.00295259/step, 3.43993 hours remaining, 206.894531 MB of memory in use. ENERGY: 805800 764.6848 2089.6340 1936.0596 115.8784 -206798.6267 18044.7451 0.0000 0.0000 34070.5508 -149777.0740 297.5466 -183847.6248 -149686.1467 297.6452 90.6868 119.3536 556165.4316 8.3673 8.3705 PRESSURE: 806000 2.48995 -137.443 -55.8435 -137.443 115.401 -61.1641 -55.8441 -61.1638 256.002 GPRESSURE: 806000 -33.6751 -40.3916 -65.2205 -171.935 156.038 23.8665 -11.7697 15.3009 336.206 PRESSAVG: 806000 17.6325 -17.8267 -15.2235 -17.8267 22.2388 44.1101 -15.2236 44.1101 -30.6295 GPRESSAVG: 806000 17.0246 -16.6614 -14.7011 -18.716 23.4765 43.49 -15.5601 45.0773 -31.2875 TIMING: 806000 CPU: 2334.31, 0.00293076/step Wall: 2334.31, 0.00293076/step, 3.41433 hours remaining, 206.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 806000 693.2364 2091.1352 1944.4704 126.9531 -206539.3263 17994.3767 0.0000 0.0000 33952.5917 -149736.5628 296.5164 -183689.1545 -149643.5380 297.7119 124.6311 152.8562 557408.6314 3.0806 3.0712 PRESSURE: 806200 9.51459 -17.1112 -176.455 -17.1108 -77.2152 24.9192 -176.455 24.9189 3.77619 GPRESSURE: 806200 22.5846 -122.933 -137.864 21.0548 7.63884 10.0356 -172.87 -76.5887 1.9544 PRESSAVG: 806200 -44.5774 -40.8893 -32.1753 -40.8893 -14.7315 1.62013 -32.1753 1.62003 51.6955 GPRESSAVG: 806200 -44.6262 -40.4004 -32.8742 -41.1742 -14.5883 0.143877 -31.6107 2.07075 51.7905 TIMING: 806200 CPU: 2334.89, 0.00289908/step Wall: 2334.89, 0.00289908/step, 3.37727 hours remaining, 206.894531 MB of memory in use. ENERGY: 806200 739.8927 2110.9633 1929.7266 114.3880 -206506.0932 17845.4116 0.0000 0.0000 34166.8639 -149598.8470 298.3877 -183765.7109 -149511.5847 298.2941 -21.3081 10.7260 556414.3101 -2.5378 -2.4746 PRESSURE: 806400 -167.696 5.39152 -121.816 5.39075 -23.9021 39.4706 -121.816 39.4703 -51.4037 GPRESSURE: 806400 -137.549 18.0812 -186.382 -15.3558 -21.2561 -21.5804 -112.538 12.6106 24.9989 PRESSAVG: 806400 0.979154 5.08667 -33.3419 5.08652 -20.7432 -17.2107 -33.3418 -17.2108 23.1042 GPRESSAVG: 806400 0.291235 2.16543 -32.9551 6.31457 -19.3758 -17.3485 -32.7551 -17.5912 22.4265 TIMING: 806400 CPU: 2335.47, 0.00290623/step Wall: 2335.47, 0.00290624/step, 3.38544 hours remaining, 206.894531 MB of memory in use. ENERGY: 806400 754.1140 2114.9827 1961.1213 109.2408 -206109.3861 17573.5097 0.0000 0.0000 34162.4261 -149433.9914 298.3490 -183596.4175 -149342.5979 298.5633 -81.0006 -44.6019 557145.1790 1.1134 1.1140 PRESSURE: 806600 -73.7041 132.097 -73.6518 132.097 43.5774 18.8266 -73.6523 18.8292 57.9738 GPRESSURE: 806600 -31.1652 107.879 -135.781 126.451 83.4031 10.7267 -54.4172 139.893 79.1162 PRESSAVG: 806600 -74.5812 44.1901 44.1077 44.1901 -29.0906 40.1762 44.1076 40.1761 58.4535 GPRESSAVG: 806600 -74.2029 43.7033 45.5897 43.0659 -30.121 42.4163 42.9292 38.3198 59.0965 TIMING: 806600 CPU: 2336.06, 0.00293516/step Wall: 2336.06, 0.00293516/step, 3.41897 hours remaining, 206.894531 MB of memory in use. ENERGY: 806600 729.7792 2097.5830 1983.7753 114.5464 -206430.4402 17862.8194 0.0000 0.0000 34163.9890 -149477.9478 298.3626 -183641.9368 -149376.8078 298.3375 9.2824 43.7847 556750.3076 -15.0728 -15.0758 PRESSURE: 806800 18.6944 -169.194 -91.1224 -169.194 -129.717 -18.953 -91.1218 -18.9541 79.0746 GPRESSURE: 806800 136.099 -217.505 -110.404 -113.879 -161.522 -14.9656 -101.101 -48.9308 86.059 PRESSAVG: 806800 30.9537 33.917 30.8198 33.917 54.8955 28.4312 30.8199 28.4311 -31.5531 GPRESSAVG: 806800 31.8773 35.981 31.173 34.7856 53.4205 27.7375 31.3753 27.2287 -31.4632 TIMING: 806800 CPU: 2336.64, 0.00292757/step Wall: 2336.64, 0.00292757/step, 3.40997 hours remaining, 206.894531 MB of memory in use. ENERGY: 806800 742.4291 2104.1485 1963.5324 122.3299 -206245.5659 17707.6409 0.0000 0.0000 34225.5180 -149379.9670 298.9000 -183605.4851 -149282.1340 299.0907 -10.6492 20.2118 556683.8666 18.0987 17.9448 PRESSURE: 807000 -54.4437 -45.5451 22.763 -45.5449 110.632 50.9795 22.7642 50.9806 -351.824 GPRESSURE: 807000 -2.8694 0.615466 70.3364 -106.718 147.509 -18.718 -34.6004 120.048 -340.153 PRESSAVG: 807000 11.5932 28.9832 -19.2874 28.9831 17.6024 50.1749 -19.2873 50.1749 -7.99556 GPRESSAVG: 807000 10.7225 27.0141 -22.8487 28.822 18.133 48.3055 -17.5139 54.4506 -7.81639 TIMING: 807000 CPU: 2337.22, 0.00288451/step Wall: 2337.22, 0.00288451/step, 3.35965 hours remaining, 206.894531 MB of memory in use. ENERGY: 807000 754.2790 2083.7555 1941.8053 129.3626 -206115.3250 17760.2721 0.0000 0.0000 34212.1551 -149233.6952 298.7833 -183445.8504 -149140.0635 299.5017 -98.5451 -65.1713 558484.0716 7.0667 7.0130 PRESSURE: 807200 -40.4355 58.5121 -33.4691 58.5121 -201.876 -11.1949 -33.4692 -11.1968 -120.968 GPRESSURE: 807200 34.6694 27.3355 24.6266 85.6371 -178.257 23.0395 -68.9011 28.1577 -112.437 PRESSAVG: 807200 20.9037 -27.1685 9.54774 -27.1684 -21.341 3.55305 9.54775 3.55316 34.4152 GPRESSAVG: 807200 19.9291 -26.6983 12.2126 -27.0339 -20.4739 7.20703 6.33429 0.995199 34.6869 TIMING: 807200 CPU: 2337.8, 0.00289384/step Wall: 2337.8, 0.00289384/step, 3.37035 hours remaining, 206.894531 MB of memory in use. ENERGY: 807200 753.9588 2102.2564 1938.5354 128.5665 -206102.0184 17645.3689 0.0000 0.0000 34247.1119 -149286.2206 299.0885 -183533.3325 -149193.8231 298.7285 -121.0930 -85.3415 557816.8469 11.3260 11.3807 PRESSURE: 807400 -110.379 50.0006 -119.945 49.9998 -124.22 -40.6358 -119.946 -40.636 -130.173 GPRESSURE: 807400 -68.1737 103.957 -149.017 15.2226 -103.983 -122.941 -171.074 -9.60822 -101.72 PRESSAVG: 807400 0.46013 20.9425 -41.0486 20.9425 -15.1397 -74.5713 -41.0487 -74.5714 12.7627 GPRESSAVG: 807400 1.42706 22.8026 -41.49 19.3812 -15.5689 -73.9462 -38.2915 -74.0243 11.8644 TIMING: 807400 CPU: 2338.38, 0.00290386/step Wall: 2338.38, 0.00290386/step, 3.38186 hours remaining, 206.894531 MB of memory in use. ENERGY: 807400 738.7966 2106.5244 1957.0241 132.8105 -206231.9704 17595.6957 0.0000 0.0000 34309.5492 -149391.5699 299.6338 -183701.1191 -149287.7265 299.5146 -121.5907 -91.2924 556035.0352 -0.6390 -0.7591 PRESSURE: 807600 -99.3152 132.85 9.78721 132.85 -50.6198 -100.941 9.7866 -100.942 77.4298 GPRESSURE: 807600 -76.3361 105.556 -102.003 200.884 -0.316362 -80.4647 86.8056 -110.979 93.4745 PRESSAVG: 807600 -73.134 35.0784 -2.11409 35.0783 63.3156 5.1662 -2.11411 5.16612 -5.10098 GPRESSAVG: 807600 -72.8874 34.7676 -0.844843 34.7334 62.0988 4.02014 -2.83583 5.53393 -3.69581 TIMING: 807600 CPU: 2338.95, 0.00288432/step Wall: 2338.95, 0.00288432/step, 3.35895 hours remaining, 206.894531 MB of memory in use. ENERGY: 807600 765.7698 2071.0853 1970.3191 126.5462 -206364.7869 17785.9588 0.0000 0.0000 34386.4910 -149258.6167 300.3058 -183645.1077 -149160.1209 299.0356 -24.1684 5.6073 556436.4354 -4.9731 -4.8281 PRESSURE: 807800 -318.137 185.828 -132.016 185.829 -185.108 -25.5612 -132.016 -25.5588 -212.906 GPRESSURE: 807800 -249.621 192.677 -71.6946 148.158 -130.047 -49.5274 -191.104 90.4682 -243.038 PRESSAVG: 807800 -2.95545 -3.07152 4.18925 -3.07151 49.2167 12.188 4.18922 12.1881 14.4325 GPRESSAVG: 807800 -2.05519 -4.20164 1.31218 -2.89964 49.9896 12.3977 6.14575 12.3107 12.6181 TIMING: 807800 CPU: 2339.54, 0.00292115/step Wall: 2339.54, 0.00292115/step, 3.40168 hours remaining, 206.894531 MB of memory in use. ENERGY: 807800 758.9350 2115.9611 1950.1402 120.5797 -205915.3458 17322.9538 0.0000 0.0000 34274.9102 -149371.8657 299.3313 -183646.7760 -149274.3226 299.6050 -238.7170 -207.5687 556470.8454 20.2312 20.1841 PRESSURE: 808000 126.952 -134.439 21.159 -134.44 -34.5945 59.9299 21.1571 59.9318 -116.759 GPRESSURE: 808000 142.442 -102.086 81.2649 -72.3079 -1.57781 33.8574 -39.9336 99.0012 -67.8896 PRESSAVG: 808000 -46.8628 -1.82849 -3.10168 -1.82849 46.2952 13.8923 -3.10169 13.8922 -10.8006 GPRESSAVG: 808000 -48.963 1.39037 -0.967304 -1.7276 46.2142 12.6392 -5.48811 15.0193 -9.01366 TIMING: 808000 CPU: 2340.12, 0.00292354/step Wall: 2340.12, 0.00292354/step, 3.4043 hours remaining, 206.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 808000 765.9702 2144.7580 1971.6505 122.3140 -206486.7520 17819.2468 0.0000 0.0000 34406.1999 -149256.6126 300.4779 -183662.8125 -149163.7033 299.0696 -8.1339 24.3250 555551.2943 -3.7894 -3.9208 PRESSURE: 808200 -73.8237 -39.9944 78.3309 -39.9951 51.0333 -149.008 78.3306 -149.008 -106.51 GPRESSURE: 808200 -70.7561 -77.7162 31.4411 -30.0865 102.231 -102.033 60.0073 -80.2378 -60.5428 PRESSAVG: 808200 -93.7488 -46.6687 -35.0899 -46.6687 98.659 -18.8798 -35.0899 -18.8797 14.6248 GPRESSAVG: 808200 -91.7316 -50.4132 -34.7813 -47.2621 98.4304 -17.2228 -36.9032 -20.3245 13.1027 TIMING: 808200 CPU: 2340.7, 0.00289809/step Wall: 2340.7, 0.00289809/step, 3.3745 hours remaining, 206.894531 MB of memory in use. ENERGY: 808200 811.9564 2067.5477 1942.2620 119.6422 -206381.3734 17827.4166 0.0000 0.0000 34323.3507 -149289.1979 299.7544 -183612.5485 -149185.9332 299.6082 -43.1002 -9.6894 555853.0946 6.5117 6.6005 LDB: ============= START OF LOAD BALANCING ============== 2344.09 LDB: ============== END OF LOAD BALANCING =============== 2344.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2344.09 LDB: ============= START OF LOAD BALANCING ============== 2344.38 LDB: Largest compute 4820 load 0.030891 is 26.2% of average load 0.117979 LDB: Average compute 0.001717 is 1.5% of average load 0.117979 LDB: TIME 2344.38 LOAD: AVG 0.117979 MAX 0.186598 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.461 MB LDB: TIME 2344.38 LOAD: AVG 0.117979 MAX 0.186598 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.664 MB LDB: TIME 2344.38 LOAD: AVG 0.117979 MAX 0.186598 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.664 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2344.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2344.39 PRESSURE: 808400 -55.127 -79.1644 16.7561 -79.1641 -50.8995 -39.1542 16.7564 -39.1544 138.946 GPRESSURE: 808400 8.52923 -143.337 -51.8268 4.04592 -37.4288 3.75253 88.0436 -96.0762 154.554 PRESSAVG: 808400 -35.7081 -7.73968 -17.6144 -7.73962 15.159 4.06595 -17.6145 4.0659 -17.598 GPRESSAVG: 808400 -37.613 -8.14559 -16.7163 -6.28854 15.4554 3.8704 -16.7701 3.39031 -15.8561 TIMING: 808400 CPU: 2341.29, 0.00293714/step Wall: 2341.29, 0.00293714/step, 3.41981 hours remaining, 208.871094 MB of memory in use. ENERGY: 808400 782.0980 2138.8882 1917.2566 120.4521 -206249.0344 17734.9631 0.0000 0.0000 34291.5412 -149263.8353 299.4766 -183555.3764 -149167.7177 299.0659 10.9733 41.8847 555432.3777 -12.7157 -12.6712 PRESSURE: 808600 -86.6643 -102.018 -68.1706 -102.018 -94.1179 143.2 -68.1702 143.199 -439.73 GPRESSURE: 808600 -76.2114 -133.469 -140.258 -84.4235 -91.374 153.58 -32.6674 133.043 -362.518 PRESSAVG: 808600 26.9311 -84.2484 -4.88906 -84.2484 43.422 4.49305 -4.88915 4.49313 -14.0608 GPRESSAVG: 808600 28.0945 -83.681 -6.93924 -82.7331 42.9323 3.24737 -4.18477 5.75027 -14.8701 TIMING: 808600 CPU: 2341.87, 0.0028965/step Wall: 2341.87, 0.0028965/step, 3.37233 hours remaining, 208.871094 MB of memory in use. ENERGY: 808600 760.0998 2099.1654 1942.9383 125.8363 -206158.9619 17405.2884 0.0000 0.0000 34414.3899 -149411.2438 300.5494 -183825.6337 -149311.9454 298.8353 -206.8373 -176.7010 555979.9671 18.7641 18.7189 PRESSURE: 808800 24.0025 -112.948 85.6905 -112.949 155.583 31.1794 85.6906 31.1806 -40.5727 GPRESSURE: 808800 3.48508 -88.8769 111.215 -139.961 206.943 -43.5425 126.562 89.8508 4.59821 PRESSAVG: 808800 -25.0281 -13.1101 3.51387 -13.1101 -43.4217 34.2924 3.51385 34.2924 51.4763 GPRESSAVG: 808800 -25.3468 -12.5068 3.93081 -13.5394 -42.8424 35.124 4.74695 33.8252 51.079 TIMING: 808800 CPU: 2342.45, 0.00291791/step Wall: 2342.45, 0.00291791/step, 3.3971 hours remaining, 208.871094 MB of memory in use. ENERGY: 808800 734.5923 2153.7796 1958.0715 115.3456 -206180.1345 17720.9307 0.0000 0.0000 34023.2056 -149474.2092 297.1331 -183497.4148 -149382.3679 298.1053 46.3375 71.6755 555602.4457 -5.6579 -5.7034 PRESSURE: 809000 64.9236 -52.1948 37.6283 -52.1955 215.774 -90.1817 37.6277 -90.1822 -120.1 GPRESSURE: 809000 104.663 -79.1669 -0.75839 -11.0679 262.795 -50.4039 21.4835 -83.7474 -98.8607 PRESSAVG: 809000 8.8784 -20.8647 -8.14841 -20.8647 -20.297 -9.08243 -8.14837 -9.08248 -24.405 GPRESSAVG: 809000 8.7131 -23.211 -6.01142 -21.4097 -20.005 -9.19242 -10.8095 -10.7073 -24.3815 TIMING: 809000 CPU: 2343.03, 0.00289494/step Wall: 2343.03, 0.00289494/step, 3.37019 hours remaining, 208.871094 MB of memory in use. ENERGY: 809000 771.0387 2052.4320 1950.0298 123.8110 -206750.6000 18065.9711 0.0000 0.0000 34036.8211 -149750.4963 297.2520 -183787.3174 -149662.2139 298.0232 53.5325 89.5325 555204.3732 -11.9412 -11.8911 PRESSURE: 809200 -551.949 -58.1742 185.534 -58.1745 -414.257 -35.013 185.535 -35.0136 126.81 GPRESSURE: 809200 -457.096 -83.7214 266.845 -79.312 -364.541 -75.1393 183.186 -26.8551 78.2787 PRESSAVG: 809200 -11.3627 -10.2049 -18.9384 -10.2048 13.8537 -19.5936 -18.9384 -19.5936 27.4392 GPRESSAVG: 809200 -9.87383 -9.15217 -18.5914 -9.73278 13.0888 -19.5351 -17.9588 -16.9042 26.0717 TIMING: 809200 CPU: 2343.62, 0.0029166/step Wall: 2343.62, 0.0029166/step, 3.39525 hours remaining, 208.871094 MB of memory in use. ENERGY: 809200 763.0417 2141.4897 1943.9361 129.1331 -206339.9948 17645.5461 0.0000 0.0000 34083.6119 -149633.2363 297.6607 -183716.8482 -149540.1226 297.6640 -279.7986 -247.7863 558917.7341 9.9767 9.7622 PRESSURE: 809400 -27.4073 -145.267 -23.9198 -145.266 30.0126 84.3068 -23.9194 84.3072 -59.8359 GPRESSURE: 809400 27.9957 -178.852 17.6598 -144.033 42.6757 7.0625 -83.4284 109.597 -24.8965 PRESSAVG: 809400 -8.81124 -79.4832 60.1369 -79.4833 35.875 -17.0234 60.1368 -17.0234 19.8348 GPRESSAVG: 809400 -10.1331 -78.2455 59.7914 -83.0939 35.5108 -17.8693 58.4219 -18.0053 21.4064 TIMING: 809400 CPU: 2344.2, 0.00291812/step Wall: 2344.2, 0.00291812/step, 3.39685 hours remaining, 208.871094 MB of memory in use. ENERGY: 809400 752.4829 2098.0082 1917.6753 115.8336 -206481.0169 17850.2266 0.0000 0.0000 34091.3307 -149655.4597 297.7281 -183746.7903 -149562.4907 298.2262 -19.0769 15.2583 557559.4534 15.6329 15.5947 PRESSURE: 809600 -4.32788 -68.8631 -179.992 -68.8627 16.5701 57.2575 -179.992 57.2574 -112.975 GPRESSURE: 809600 -55.8607 -94.6295 -203.802 -39.8558 84.1621 60.7706 -191.879 0.226236 -40.7832 PRESSAVG: 809600 -25.3752 -0.710131 12.262 -0.710087 -22.3663 -7.7647 12.2621 -7.76474 -1.08611 GPRESSAVG: 809600 -25.6686 -1.24918 12.7957 1.28557 -21.1359 -6.62236 13.5443 -8.86547 -1.83244 TIMING: 809600 CPU: 2344.78, 0.00291494/step Wall: 2344.78, 0.00291494/step, 3.39299 hours remaining, 209.062500 MB of memory in use. ENERGY: 809600 756.6901 2032.1248 1948.6525 131.2328 -206403.1606 17953.3550 0.0000 0.0000 34018.1633 -149562.9422 297.0891 -183581.1055 -149465.4209 298.3940 -33.5775 -4.1606 558073.5312 -16.2759 -16.2123 PRESSURE: 809800 -6.87564 176.768 -49.9687 176.767 -378.606 47.4706 -49.9696 47.471 -4.6111 GPRESSURE: 809800 -0.409095 256.679 -31.3251 170.62 -281.236 27.172 0.265829 88.8334 -2.99739 PRESSAVG: 809800 -28.702 55.6493 -9.54232 55.6493 23.8998 -38.6694 -9.5423 -38.6694 -7.85709 GPRESSAVG: 809800 -27.7846 54.0184 -10.2319 57.5584 23.8012 -40.6838 -10.1616 -36.4026 -8.35668 TIMING: 809800 CPU: 2345.36, 0.0028958/step Wall: 2345.36, 0.0028958/step, 3.37055 hours remaining, 209.062500 MB of memory in use. ENERGY: 809800 746.9635 2099.5035 1973.0455 115.9500 -206370.0550 17735.6896 0.0000 0.0000 34226.0019 -149472.9010 298.9042 -183698.9029 -149370.0949 297.8462 -130.0311 -94.8807 558354.9579 -4.2198 -4.1133 PRESSURE: 810000 130.49 130.773 113.408 130.772 152.161 126.662 113.409 126.66 355.87 GPRESSURE: 810000 117.643 113.556 120.589 167.548 231.044 37.4123 89.2298 184.9 382.305 PRESSAVG: 810000 27.0816 63.7608 -29.5141 63.7607 -24.4059 -29.9252 -29.5141 -29.9251 10.8707 GPRESSAVG: 810000 26.9914 65.284 -30.6673 60.9776 -24.6642 -29.9459 -28.1006 -29.4627 11.6361 TIMING: 810000 CPU: 2345.94, 0.00289487/step Wall: 2345.94, 0.00289487/step, 3.36931 hours remaining, 209.062500 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: 810000 744.7854 2105.1904 1959.4574 118.2844 -206484.3350 18174.2324 0.0000 0.0000 33947.5478 -149434.8372 296.4724 -183382.3850 -149337.3241 298.1060 212.8404 243.6641 557798.3864 4.5154 4.6544 PRESSURE: 810200 -150.997 -24.5153 62.3526 -24.5158 -145.934 127.918 62.352 127.918 31.1307 GPRESSURE: 810200 -120.715 31.1384 116.888 -100.936 -179.127 75.3776 -46.2052 144.683 124.429 PRESSAVG: 810200 -0.795625 35.6154 48.9936 35.6154 -8.33796 -13.7173 48.9935 -13.7173 16.5692 GPRESSAVG: 810200 -0.864403 33.6517 46.8399 36.774 -8.02696 -14.1135 49.8134 -13.8647 16.9347 TIMING: 810200 CPU: 2346.52, 0.00289654/step Wall: 2346.52, 0.00289654/step, 3.3711 hours remaining, 209.062500 MB of memory in use. ENERGY: 810200 776.2269 2128.5004 1955.7708 116.0114 -205880.2513 17608.4235 0.0000 0.0000 34078.2388 -149217.0796 297.6137 -183295.3184 -149115.7844 298.1949 -88.6001 -58.4709 557337.7960 2.4785 2.6811 PRESSURE: 810400 -181.072 25.6453 -25.8711 25.6449 144.218 -124.024 -25.8711 -124.023 -218.675 GPRESSURE: 810400 -96.0061 55.743 -70.911 -28.606 151.506 -207.481 -17.2476 -70.5179 -224.761 PRESSAVG: 810400 -32.3869 -4.42894 -45.4095 -4.42897 113.085 21.6447 -45.4095 21.6447 -6.91219 GPRESSAVG: 810400 -31.5703 -2.22053 -41.6764 -4.81938 112.967 24.0817 -46.1095 18.8653 -7.80057 TIMING: 810400 CPU: 2347.1, 0.00290285/step Wall: 2347.1, 0.00290285/step, 3.37827 hours remaining, 209.062500 MB of memory in use. ENERGY: 810400 736.1853 2156.9265 1922.8306 106.2155 -206441.5839 17819.4333 0.0000 0.0000 34517.3047 -149182.6880 301.4482 -183699.9927 -149089.2313 299.1229 -85.1763 -56.4201 557238.2892 24.5951 24.5320 PRESSURE: 810600 -58.0359 91.9715 -40.8445 91.9718 130.737 138.58 -40.8423 138.58 106.957 GPRESSURE: 810600 31.1802 48.4055 -97.2172 26.8068 142.394 88.2451 -22.1554 217.897 106.508 PRESSAVG: 810600 -75.5257 62.1146 -11.5847 62.1146 46.9303 -22.8453 -11.5848 -22.8453 50.4666 GPRESSAVG: 810600 -76.0585 62.4439 -11.4808 61.5336 46.6109 -24.4302 -12.7672 -20.4523 51.1816 TIMING: 810600 CPU: 2347.68, 0.00290627/step Wall: 2347.68, 0.00290627/step, 3.3821 hours remaining, 209.062500 MB of memory in use. ENERGY: 810600 760.7428 2062.7039 1947.2319 119.2432 -206383.5346 17966.1403 0.0000 0.0000 34369.2193 -149158.2531 300.1549 -183527.4724 -149062.4920 299.6547 59.8860 93.3606 556082.1226 7.2904 7.2446 PRESSURE: 810800 -112.797 57.2774 -26.2148 57.2782 -31.1226 71.8259 -26.2144 71.8247 131.828 GPRESSURE: 810800 -89.0556 -32.2435 14.315 92.6505 5.76221 38.8144 -39.8835 -15.1214 156.662 PRESSAVG: 810800 -58.7815 32.6692 17.9248 32.6691 -11.3372 -7.58979 17.9248 -7.58981 53.1803 GPRESSAVG: 810800 -59.0976 31.4177 16.9918 34.7654 -10.6306 -8.34256 17.6739 -7.49143 53.4431 TIMING: 810800 CPU: 2348.26, 0.00290132/step Wall: 2348.26, 0.00290132/step, 3.37617 hours remaining, 209.062500 MB of memory in use. ENERGY: 810800 744.0435 2149.3879 1961.0616 105.6861 -206163.1819 17785.0760 0.0000 0.0000 34133.1083 -149284.8185 298.0929 -183417.9268 -149181.9636 299.2933 -4.0305 24.4561 557312.9577 -5.6461 -5.4284 PRESSURE: 811000 33.6466 65.8502 -44.7692 65.8516 -138.239 -149.103 -44.7699 -149.103 -81.136 GPRESSURE: 811000 53.0632 -23.0023 -105.074 110.483 -58.0806 -114.455 7.30742 -131.718 -93.6003 PRESSAVG: 811000 -46.5936 42.971 7.4991 42.971 20.2196 -13.3053 7.49902 -13.3053 21.7396 GPRESSAVG: 811000 -45.5559 43.6944 6.04744 41.7221 21.1646 -10.8066 8.9883 -14.8985 19.7904 TIMING: 811000 CPU: 2348.84, 0.00288582/step Wall: 2348.84, 0.00288582/step, 3.35797 hours remaining, 209.062500 MB of memory in use. ENERGY: 811000 750.8954 2106.5977 1935.7249 120.3623 -205815.9652 17570.2422 0.0000 0.0000 34154.5389 -149177.6037 298.2801 -183332.1427 -149084.2783 299.7818 -61.9094 -32.8726 558081.2785 -1.5448 -1.5337 PRESSURE: 811200 -101.696 -86.5044 111.399 -86.5041 -143.835 61.1368 111.397 61.1375 112.254 GPRESSURE: 811200 -80.3852 -12.8503 130.79 -192.774 -75.2131 104.193 82.2379 37.2016 111.267 PRESSAVG: 811200 -38.8156 12.797 14.8524 12.797 54.0676 -6.69491 14.8524 -6.69512 -14.7131 GPRESSAVG: 811200 -39.0871 12.488 18.432 12.2896 53.0354 -8.79373 12.8516 -5.19525 -13.288 TIMING: 811200 CPU: 2349.42, 0.00288725/step Wall: 2349.42, 0.00288725/step, 3.35947 hours remaining, 209.062500 MB of memory in use. ENERGY: 811200 730.4265 2112.9507 1944.8653 100.7468 -206024.5472 17771.1437 0.0000 0.0000 33927.7924 -149436.6218 296.2998 -183364.4141 -149339.5519 299.1372 -44.4254 -14.7772 557711.7384 0.1796 0.2201 PRESSURE: 811400 -69.7843 39.6247 -122.647 39.6238 -164.878 126.391 -122.646 126.392 -84.3794 GPRESSURE: 811400 -74.841 -14.8066 -127.71 107.372 -148.208 147.084 -154.542 39.8913 -2.14502 PRESSAVG: 811400 21.835 2.83327 5.96678 2.83325 -24.6941 44.3122 5.967 44.3123 16.2065 GPRESSAVG: 811400 22.6675 4.17028 3.17094 3.72166 -25.4084 45.1089 9.59022 42.379 15.6067 TIMING: 811400 CPU: 2350, 0.0029169/step Wall: 2350, 0.0029169/step, 3.39381 hours remaining, 209.062500 MB of memory in use. ENERGY: 811400 707.2468 2075.8183 1948.4021 110.7667 -206149.4360 17664.4540 0.0000 0.0000 34101.4592 -149541.2888 297.8165 -183642.7480 -149440.6549 299.0207 -106.3471 -75.0648 555942.7437 4.4491 4.2886 PRESSURE: 811600 101.151 23.9412 113.515 23.9421 -252.098 -94.8261 113.515 -94.8256 304.707 GPRESSURE: 811600 100.014 -61.6314 181.12 33.8534 -207.676 -141.395 65.029 -141.178 362.646 PRESSAVG: 811600 23.8294 -1.60711 16.4834 -1.6071 -63.1713 -21.5766 16.4835 -21.5767 35.8595 GPRESSAVG: 811600 21.5108 -2.85567 15.5949 -2.06366 -62.5341 -21.1938 14.0192 -20.0945 37.8456 TIMING: 811600 CPU: 2350.58, 0.00292358/step Wall: 2350.58, 0.00292358/step, 3.40142 hours remaining, 209.062500 MB of memory in use. ENERGY: 811600 743.8246 2043.5599 1953.2011 121.5033 -206782.0245 18096.2936 0.0000 0.0000 34242.3810 -149581.2611 299.0472 -183823.6421 -149482.9777 298.8360 51.2532 84.9946 556805.7121 -1.1608 -1.0592 PRESSURE: 811800 98.3343 -204.829 47.3104 -204.829 -52.3069 -14.9983 47.3114 -14.9971 -43.7913 GPRESSURE: 811800 132.904 -138.369 90.664 -293.142 -19.1751 46.172 74.3314 -48.6517 -27.206 PRESSAVG: 811800 11.4704 -7.43386 -3.14204 -7.43392 9.32553 -47.1074 -3.14211 -47.1074 -2.30052 GPRESSAVG: 811800 12.6645 -7.09093 -0.652141 -5.46703 9.28512 -45.3264 -0.965956 -45.1812 -3.2631 TIMING: 811800 CPU: 2351.17, 0.00292191/step Wall: 2351.17, 0.00292191/step, 3.39932 hours remaining, 209.062500 MB of memory in use. ENERGY: 811800 757.1257 2094.8294 1947.0242 130.7684 -206539.6822 17861.1788 0.0000 0.0000 34194.3121 -149554.4435 298.6274 -183748.7556 -149461.1010 298.0176 0.7454 28.8411 557186.9706 6.1651 6.2288 PRESSURE: 812000 176.073 -53.8672 -90.3004 -53.8657 146.736 88.0623 -90.3007 88.0617 223.664 GPRESSURE: 812000 212.471 -42.1971 -65.9623 -42.4799 186.6 24.7102 -99.5777 91.8461 240.592 PRESSAVG: 812000 26.7547 -32.277 -44.021 -32.277 0.820405 48.9782 -44.021 48.9782 -71.2796 GPRESSAVG: 812000 27.8422 -33.1547 -46.3029 -33.3282 0.361953 45.0681 -45.1532 49.0148 -72.0942 TIMING: 812000 CPU: 2351.75, 0.00292465/step Wall: 2351.75, 0.00292465/step, 3.40234 hours remaining, 209.062500 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: 812000 757.4005 2017.8326 1944.1577 111.2530 -206592.4800 18160.6010 0.0000 0.0000 34198.4157 -149402.8195 298.6633 -183601.2351 -149306.4473 299.1597 182.1577 213.2212 556536.1011 -14.5682 -14.6300 PRESSURE: 812200 43.0907 -63.6189 97.1476 -63.6185 -135.618 -84.8647 97.1476 -84.8657 -39.2167 GPRESSURE: 812200 9.89204 -49.4427 156.802 -118.584 -34.8302 -60.3117 106.883 -71.9046 -18.5579 PRESSAVG: 812200 94.0516 -21.7769 -3.38007 -21.7768 -97.194 -5.56377 -3.38002 -5.56388 -19.9217 GPRESSAVG: 812200 93.6223 -21.8014 -2.35976 -20.6817 -96.8612 -4.92472 -3.38028 -7.04014 -19.2562 TIMING: 812200 CPU: 2352.34, 0.00291234/step Wall: 2352.34, 0.00291234/step, 3.38786 hours remaining, 209.062500 MB of memory in use. ENERGY: 812200 702.4224 2105.0668 1931.0678 101.9677 -206330.0431 17794.3745 0.0000 0.0000 34431.7094 -149263.4345 300.7007 -183695.1439 -149170.2344 298.9642 -43.9147 -14.4987 557547.7151 -7.6880 -7.4983 LDB: ============= START OF LOAD BALANCING ============== 2355.72 LDB: ============== END OF LOAD BALANCING =============== 2355.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2355.72 LDB: ============= START OF LOAD BALANCING ============== 2356.01 LDB: Largest compute 4820 load 0.029613 is 25.1% of average load 0.117951 LDB: Average compute 0.001714 is 1.5% of average load 0.117951 LDB: TIME 2356.02 LOAD: AVG 0.117951 MAX 0.188841 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.559 MB LDB: TIME 2356.02 LOAD: AVG 0.117951 MAX 0.18884 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: TIME 2356.02 LOAD: AVG 0.117951 MAX 0.18884 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: ============== END OF LOAD BALANCING =============== 2356.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2356.02 PRESSURE: 812400 -101.634 20.1761 99.1432 20.1758 -126.15 -40.1059 99.1435 -40.1075 -337.726 GPRESSURE: 812400 -55.8125 -26.2636 96.162 40.0362 -77.6783 -68.7712 124.015 -55.7136 -329.693 PRESSAVG: 812400 20.4099 3.76675 72.1692 3.76682 37.9509 19.5375 72.1693 19.5376 -65.1998 GPRESSAVG: 812400 18.8735 2.85544 72.3382 3.67578 39.1015 19.7596 71.5005 19.3699 -64.6598 TIMING: 812400 CPU: 2352.93, 0.00295455/step Wall: 2352.93, 0.00295455/step, 3.43679 hours remaining, 205.332031 MB of memory in use. ENERGY: 812400 765.5559 2088.8394 1923.5530 112.3119 -206043.2020 17617.7033 0.0000 0.0000 34157.3254 -149377.9131 298.3044 -183535.2385 -149280.4486 299.1450 -188.5033 -154.3947 557852.7282 -2.2797 -2.2283 PRESSURE: 812600 -38.4174 -87.3328 215.148 -87.3325 -42.7013 55.4929 215.149 55.4912 -48.3094 GPRESSURE: 812600 41.3547 -75.1199 225.402 -92.2954 -9.91232 25.5571 240.873 52.6166 -57.3497 PRESSAVG: 812600 -3.51675 13.1555 19.3327 13.1554 38.1325 57.4731 19.3328 57.4731 -33.7554 GPRESSAVG: 812600 -3.01964 15.162 17.1827 10.7982 37.4715 58.1551 22.0371 57.3978 -33.9001 TIMING: 812600 CPU: 2353.51, 0.00291866/step Wall: 2353.51, 0.00291866/step, 3.39489 hours remaining, 205.332031 MB of memory in use. ENERGY: 812600 739.6875 2099.4168 1945.8047 114.2060 -206108.6063 17816.2509 0.0000 0.0000 34105.8801 -149287.3602 297.8551 -183393.2403 -149194.6892 299.1166 -43.1427 -8.6358 558138.3751 0.2868 0.1839 PRESSURE: 812800 -366.461 72.2865 -15.7015 72.2882 -237.757 -121.793 -15.7002 -121.793 -223.888 GPRESSURE: 812800 -351.069 40.8796 -45.3821 157.696 -189.008 -97.519 68.9499 -76.9454 -188.137 PRESSAVG: 812800 -16.9387 27.6743 15.6784 27.6744 34.6574 7.20422 15.6783 7.20419 10.5051 GPRESSAVG: 812800 -16.1475 26.3179 16.5812 29.7004 34.0753 7.87474 14.7167 8.57272 10.1293 TIMING: 812800 CPU: 2354.09, 0.00287966/step Wall: 2354.09, 0.00287966/step, 3.34937 hours remaining, 205.332031 MB of memory in use. ENERGY: 812800 792.7258 2083.2778 1955.1275 104.5470 -205553.7257 17525.5168 0.0000 0.0000 34021.7579 -149070.7729 297.1205 -183092.5308 -148974.2624 298.7965 -276.0354 -242.7377 558931.2292 9.4079 9.3524 PRESSURE: 813000 -34.8758 65.1944 166.503 65.1948 -32.1143 98.6753 166.504 98.6752 -157.176 GPRESSURE: 813000 -32.8395 76.2201 170.006 2.40372 -33.6306 141.638 93.6728 24.5744 -67.1829 PRESSAVG: 813000 -1.36271 -6.01398 1.93755 -6.01402 47.6312 69.3529 1.93751 69.353 -51.2636 GPRESSAVG: 813000 -1.72206 -6.71871 2.19989 -5.77608 48.0795 67.6745 2.63095 69.3584 -51.2536 TIMING: 813000 CPU: 2354.67, 0.00290402/step Wall: 2354.67, 0.00290402/step, 3.37754 hours remaining, 205.332031 MB of memory in use. ENERGY: 813000 728.9958 2051.3867 1954.7623 108.6476 -205961.5782 17810.9799 0.0000 0.0000 34142.1987 -149164.6073 298.1723 -183306.8059 -149062.6009 300.0291 -74.7222 -44.5510 558668.3313 -1.6650 -1.6321 PRESSURE: 813200 -65.0977 131.453 66.4964 131.453 -204.271 200.505 66.4961 200.506 -291.821 GPRESSURE: 813200 -107.729 53.0605 139.043 128.782 -119.725 113.65 78.1459 154.235 -233.254 PRESSAVG: 813200 39.541 -19.7747 21.1329 -19.7746 -11.0609 23.7706 21.1329 23.7705 -48.1773 GPRESSAVG: 813200 39.1431 -18.5858 22.5338 -19.8595 -10.7541 26.2605 19.4577 22.6125 -48.3651 TIMING: 813200 CPU: 2355.25, 0.0029338/step Wall: 2355.25, 0.0029338/step, 3.41201 hours remaining, 205.332031 MB of memory in use. ENERGY: 813200 725.8239 2146.8387 1938.1618 114.0970 -206284.7079 17809.6478 0.0000 0.0000 34488.6239 -149061.5148 301.1977 -183550.1387 -148963.9696 299.0518 -187.0630 -153.5693 558934.4222 -6.5657 -6.6587 PRESSURE: 813400 228.992 -10.513 -113.747 -10.5126 157.193 -4.22194 -113.748 -4.22186 89.6782 GPRESSURE: 813400 268.986 -42.2962 -144.963 -28.878 198.633 10.3578 -74.3787 -33.181 108.975 PRESSAVG: 813400 13.0538 6.0133 -52.4053 6.01336 -27.3441 33.6745 -52.4053 33.6745 -13.3054 GPRESSAVG: 813400 13.7543 4.52519 -54.6938 4.6425 -27.178 33.5862 -49.8281 34.5871 -14.18 TIMING: 813400 CPU: 2355.84, 0.00291858/step Wall: 2355.84, 0.00291858/step, 3.39415 hours remaining, 205.332031 MB of memory in use. ENERGY: 813400 751.9907 2081.5727 1961.9095 122.9574 -206264.4393 18049.4922 0.0000 0.0000 34272.4098 -149024.1070 299.3095 -183296.5167 -148933.5758 299.8160 158.6210 192.1977 557885.5488 -9.1986 -9.2012 PRESSURE: 813600 175.782 100.759 40.2076 100.76 65.5984 62.4031 40.2075 62.4037 88.2272 GPRESSURE: 813600 205.011 137.05 19.2217 23.8955 107.347 -2.35822 96.6759 116.437 119.717 PRESSAVG: 813600 25.5595 -7.0223 -43.4614 -7.02225 36.1198 -33.1628 -43.4614 -33.1628 -48.8276 GPRESSAVG: 813600 25.1593 -6.81887 -41.6481 -6.66059 34.8974 -34.0675 -45.9978 -35.5311 -47.4462 TIMING: 813600 CPU: 2356.42, 0.00292296/step Wall: 2356.42, 0.00292296/step, 3.39908 hours remaining, 205.332031 MB of memory in use. ENERGY: 813600 698.0002 2046.5679 1960.3292 122.8212 -206223.6437 18021.1045 0.0000 0.0000 34369.3213 -149005.4994 300.1558 -183374.8207 -148907.5844 299.7299 109.8691 144.0249 557030.2661 4.2839 4.2035 PRESSURE: 813800 99.411 -114.033 137.363 -114.032 29.9905 122.767 137.361 122.768 -120.582 GPRESSURE: 813800 132.121 -121.407 133.603 -157.96 31.3469 94.8729 157.678 148.886 -62.2137 PRESSAVG: 813800 -18.97 -7.17893 0.0771978 -7.17905 37.421 27.4901 0.0771798 27.4901 -8.91909 GPRESSAVG: 813800 -18.0804 -5.0187 0.560895 -6.30212 37.4806 27.3333 1.27483 29.2945 -10.269 TIMING: 813800 CPU: 2357.01, 0.00291967/step Wall: 2357.01, 0.00291967/step, 3.39509 hours remaining, 205.332031 MB of memory in use. ENERGY: 813800 715.0358 2142.9252 1957.0655 113.5584 -205790.2621 17679.6185 0.0000 0.0000 34102.4362 -149079.6226 297.8251 -183182.0588 -148986.6043 299.1819 2.9400 33.7515 556178.0901 3.1773 3.0437 PRESSURE: 814000 -130.878 85.9954 -42.6982 85.9951 119.039 -14.1048 -42.698 -14.1046 -194.025 GPRESSURE: 814000 -100.223 55.3454 -77.1939 44.0496 125.958 -36.1497 14.4017 38.7754 -136.669 PRESSAVG: 814000 28.8435 -27.6264 4.9605 -27.6265 41.5732 -27.048 4.96063 -27.0482 -20.8252 GPRESSAVG: 814000 27.9645 -30.5771 5.53627 -28.4449 42.0369 -26.7691 3.44838 -26.7693 -20.9274 TIMING: 814000 CPU: 2357.59, 0.00289563/step Wall: 2357.59, 0.00289563/step, 3.36697 hours remaining, 205.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 814000 795.3184 2081.9944 1953.9206 113.7254 -206243.0427 18007.8289 0.0000 0.0000 34114.2773 -149175.9778 297.9285 -183290.2551 -149073.7163 299.6969 -68.6214 -36.9781 557045.3222 16.5305 16.3580 PRESSURE: 814200 -226.92 104.495 28.5882 104.496 47.2577 111.595 28.5887 111.596 56.2477 GPRESSURE: 814200 -180.347 114.543 -3.3074 10.4504 90.8409 24.9733 103.769 157.989 59.2233 PRESSAVG: 814200 -21.161 15.858 1.11356 15.858 -14.5794 54.5359 1.11355 54.5358 18.1278 GPRESSAVG: 814200 -21.4655 17.2937 -0.457606 15.851 -14.0306 54.3666 2.19449 56.4158 18.1636 TIMING: 814200 CPU: 2358.17, 0.00289597/step Wall: 2358.17, 0.00289597/step, 3.36721 hours remaining, 205.332031 MB of memory in use. ENERGY: 814200 772.5695 2079.7673 1987.9625 108.5207 -206249.9086 17833.3555 0.0000 0.0000 34412.3151 -149055.4181 300.5313 -183467.7332 -148957.9679 299.7853 -41.1382 -10.0942 556579.2743 -5.8709 -5.7775 PRESSURE: 814400 -339.598 -177.433 15.0075 -177.432 -5.29654 64.248 15.0078 64.2489 -202.285 GPRESSURE: 814400 -314.036 -187.769 -25.3888 -196.29 -35.4976 78.3304 -17.9977 62.2802 -108.312 PRESSAVG: 814400 -14.1076 -21.386 44.9315 -21.3861 22.8035 31.1588 44.9315 31.1588 -29.8168 GPRESSAVG: 814400 -15.0412 -20.6447 45.5404 -20.8799 22.0474 32.9401 43.445 29.348 -28.3996 TIMING: 814400 CPU: 2358.75, 0.00291772/step Wall: 2358.75, 0.00291772/step, 3.39234 hours remaining, 205.332031 MB of memory in use. ENERGY: 814400 753.7180 2087.5815 1949.6697 109.7270 -205438.7747 17387.3725 0.0000 0.0000 34257.6107 -148893.0952 299.1802 -183150.7060 -148795.9276 299.6811 -182.3932 -152.6153 558401.3434 -7.0403 -7.1311 PRESSURE: 814600 9.88646 36.3898 126.578 36.388 -357.952 -170.678 126.577 -170.677 -98.3349 GPRESSURE: 814600 -15.9019 19.2886 159.605 -6.26508 -286.321 -126.449 166.945 -138.563 -48.1006 PRESSAVG: 814600 -87.763 -21.6087 22.3733 -21.6088 -1.68784 -13.0413 22.3732 -13.0413 68.803 GPRESSAVG: 814600 -87.1487 -22.4384 22.0232 -22.1377 -0.476741 -11.6583 22.3169 -14.0305 67.9301 TIMING: 814600 CPU: 2359.33, 0.00290269/step Wall: 2359.33, 0.00290269/step, 3.3747 hours remaining, 205.332031 MB of memory in use. ENERGY: 814600 745.9979 2087.5131 1947.2900 96.7446 -206012.8114 17786.5998 0.0000 0.0000 34211.1418 -149137.5241 298.7744 -183348.6659 -149044.9088 300.5390 -148.8002 -116.7746 558568.0224 -6.8826 -6.5651 PRESSURE: 814800 275.344 60.3376 31.4351 60.3373 -64.2272 9.64871 31.434 9.64803 63.1224 GPRESSURE: 814800 281.401 85.1329 55.3551 58.7089 18.122 -1.45869 -4.02694 105.82 60.3482 PRESSAVG: 814800 -10.9566 1.18261 34.5426 1.18261 -0.763865 -9.06578 34.5427 -9.06573 36.5211 GPRESSAVG: 814800 -10.7471 1.46956 35.2983 1.07054 0.0533035 -12.4824 34.8685 -5.36803 34.843 TIMING: 814800 CPU: 2359.91, 0.00291079/step Wall: 2359.91, 0.0029108/step, 3.38396 hours remaining, 205.332031 MB of memory in use. ENERGY: 814800 734.0735 2143.9072 1940.2360 102.2952 -206499.1111 18059.9461 0.0000 0.0000 34265.3930 -149253.2602 299.2482 -183518.6532 -149149.6974 299.0396 91.4131 119.9570 557888.4435 8.2669 8.0497 PRESSURE: 815000 -81.0237 -24.4896 -58.2456 -24.4906 -24.0309 -48.7535 -58.247 -48.7529 -38.6786 GPRESSURE: 815000 -32.3437 24.3306 20.2631 -65.716 21.0657 -124.183 -53.071 -8.44759 -25.1135 PRESSAVG: 815000 -32.6435 -47.7563 -17.2583 -47.7563 27.8653 36.2664 -17.2583 36.2666 -9.41311 GPRESSAVG: 815000 -33.277 -44.4043 -17.0596 -48.9694 27.1245 38.0742 -16.3034 33.5641 -8.09818 TIMING: 815000 CPU: 2360.5, 0.00291849/step Wall: 2360.5, 0.00291849/step, 3.39275 hours remaining, 205.332031 MB of memory in use. ENERGY: 815000 749.6080 2101.7598 1925.3940 108.8200 -206084.2518 17762.8521 0.0000 0.0000 34189.3953 -149246.4226 298.5845 -183435.8179 -149155.6276 299.5770 -47.9111 -12.1305 557328.1923 -4.7305 -4.7502 PRESSURE: 815200 -139.9 82.2409 -234.767 82.2404 81.1949 -161.056 -234.768 -161.056 -352.47 GPRESSURE: 815200 -105.183 103.557 -315.814 21.4205 97.5552 -98.3668 -154.413 -84.2142 -301.418 PRESSAVG: 815200 25.8858 14.1123 16.0269 14.1123 40.443 31.0484 16.027 31.0484 -60.4679 GPRESSAVG: 815200 25.7909 12.3622 15.4905 16.5042 39.8658 31.0012 16.8032 29.2088 -59.8002 TIMING: 815200 CPU: 2361.08, 0.00290219/step Wall: 2361.08, 0.00290219/step, 3.37364 hours remaining, 205.332031 MB of memory in use. ENERGY: 815200 770.8998 2112.3497 1927.1244 115.9643 -206054.0616 17717.0354 0.0000 0.0000 34282.3610 -149128.3270 299.3964 -183410.6880 -149035.4186 298.6134 -137.0585 -103.0152 558814.9143 1.9536 1.9522 PRESSURE: 815400 -108.726 6.38874 -52.93 6.38781 -193.793 29.6656 -52.9295 29.6638 104.536 GPRESSURE: 815400 -107.695 -33.409 -28.2092 -6.87434 -132.571 78.7525 -25.9901 -0.144244 141.338 PRESSAVG: 815400 -43.9616 -34.6355 7.35801 -34.6355 57.9113 14.1598 7.35798 14.1597 0.936856 GPRESSAVG: 815400 -43.3047 -33.6997 5.80762 -35.1272 58.1908 13.0697 6.21036 16.4197 0.393256 TIMING: 815400 CPU: 2361.66, 0.00291417/step Wall: 2361.66, 0.00291417/step, 3.3874 hours remaining, 205.332031 MB of memory in use. ENERGY: 815400 769.4057 2089.6617 1976.8385 112.2773 -206459.0108 17925.6743 0.0000 0.0000 34527.5855 -149057.5678 301.5380 -183585.1533 -148954.9374 299.9426 -65.9945 -32.9760 559065.2900 4.9622 5.0931 PRESSURE: 815600 -160.116 26.9012 184.749 26.9002 14.3337 -58.6329 184.748 -58.6317 74.5946 GPRESSURE: 815600 -96.26 -36.0565 123.883 56.1366 23.5092 -28.0343 246.896 -64.9712 97.0802 PRESSAVG: 815600 -21.7747 23.2248 8.96924 23.2248 38.405 -21.8582 8.96922 -21.8582 -23.7206 GPRESSAVG: 815600 -21.8346 21.1569 9.48585 23.4894 38.0702 -19.6314 9.74358 -25.1916 -23.843 TIMING: 815600 CPU: 2362.24, 0.00290408/step Wall: 2362.24, 0.00290408/step, 3.37551 hours remaining, 205.332031 MB of memory in use. ENERGY: 815600 803.9563 2110.9680 1945.6390 119.0469 -206414.7322 17944.2408 0.0000 0.0000 34378.2681 -149112.6131 300.2340 -183490.8812 -149020.4625 300.0919 -23.7291 8.1098 557737.0528 -2.3634 -2.5358 PRESSURE: 815800 -80.1858 38.6822 165.408 38.6818 -364.495 -131.493 165.409 -131.493 -31.3067 GPRESSURE: 815800 -24.4859 53.097 181.565 24.7259 -360.61 -148.368 128.709 -61.0592 2.73551 PRESSAVG: 815800 14.9932 1.22085 30.3784 1.22075 -51.6071 52.471 30.3784 52.471 31.8627 GPRESSAVG: 815800 14.1614 1.83654 29.2202 -0.209221 -50.0389 53.1601 29.4491 54.5717 31.0061 TIMING: 815800 CPU: 2362.82, 0.00289461/step Wall: 2362.82, 0.00289461/step, 3.36434 hours remaining, 205.332031 MB of memory in use. ENERGY: 815800 764.7403 2117.3616 1947.7089 122.8431 -206414.6951 17842.1044 0.0000 0.0000 34590.5048 -149029.4320 302.0875 -183619.9368 -148941.4206 300.2637 -158.6626 -127.4535 558417.9086 -1.5837 -1.6238 PRESSURE: 816000 57.2674 23.9967 -70.4504 23.9965 -41.0289 94.6286 -70.4507 94.6271 -151.503 GPRESSURE: 816000 110.845 -99.1609 -92.1475 -0.60242 -34.6295 54.7919 -164.503 65.9246 -114.104 PRESSAVG: 816000 39.8641 5.36559 36.1927 5.36564 -15.4333 20.4792 36.1928 20.4792 -40.9807 GPRESSAVG: 816000 41.0416 6.45802 38.3475 5.40151 -18.3734 18.7998 35.0546 21.3347 -39.459 TIMING: 816000 CPU: 2363.4, 0.00290007/step Wall: 2363.4, 0.00290007/step, 3.37053 hours remaining, 205.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 816000 759.6998 2142.8546 1925.6418 118.7385 -205839.7032 17698.1872 0.0000 0.0000 34255.2644 -148939.3170 299.1597 -183194.5813 -148846.1854 299.9831 -45.0882 -12.6294 558468.5097 -5.5166 -5.5969 PRESSURE: 816200 44.6052 86.3873 237.445 86.3875 -54.1478 23.2654 237.444 23.2657 34.0283 GPRESSURE: 816200 138.194 113.133 248.021 110.286 -61.1699 36.2383 181.995 47.0858 39.7983 PRESSAVG: 816200 -54.2807 38.117 58.6224 38.117 37.3619 50.2348 58.6223 50.2348 9.10407 GPRESSAVG: 816200 -54.5992 36.8305 59.37 39.0875 37.7112 49.0569 59.6918 49.8778 8.52641 TIMING: 816200 CPU: 2363.98, 0.00288919/step Wall: 2363.98, 0.00288919/step, 3.35771 hours remaining, 205.332031 MB of memory in use. ENERGY: 816200 753.4410 2136.9163 1945.0551 120.9369 -205932.4778 17751.5809 0.0000 0.0000 34423.0475 -148801.5001 300.6250 -183224.5476 -148708.6440 300.7790 8.1619 38.9408 557064.7017 -2.6049 -2.7872 LDB: ============= START OF LOAD BALANCING ============== 2367.36 LDB: ============== END OF LOAD BALANCING =============== 2367.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2367.36 LDB: ============= START OF LOAD BALANCING ============== 2367.65 LDB: Largest compute 4820 load 0.030082 is 25.5% of average load 0.118148 LDB: Average compute 0.001715 is 1.5% of average load 0.118148 LDB: TIME 2367.66 LOAD: AVG 0.118148 MAX 0.187687 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.129 MB LDB: TIME 2367.66 LOAD: AVG 0.118148 MAX 0.187687 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: TIME 2367.66 LOAD: AVG 0.118148 MAX 0.187687 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: ============== END OF LOAD BALANCING =============== 2367.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2367.66 PRESSURE: 816400 40.2111 24.9425 -91.9024 24.9423 1.25947 30.27 -91.9021 30.2688 217.112 GPRESSURE: 816400 190.816 23.0884 -97.5426 43.2496 12.3485 -18.3437 -13.3585 101.876 161.31 PRESSAVG: 816400 31.4907 58.5482 1.9034 58.5484 47.3177 -16.6078 1.90352 -16.6079 -50.7213 GPRESSAVG: 816400 30.966 58.4883 0.198363 57.8629 48.3896 -14.1767 2.56868 -17.9085 -51.2017 TIMING: 816400 CPU: 2364.57, 0.00294863/step Wall: 2364.57, 0.00294863/step, 3.42664 hours remaining, 207.332031 MB of memory in use. ENERGY: 816400 729.1633 2083.0360 1949.4847 128.6547 -206295.6885 18107.5166 0.0000 0.0000 34427.5061 -148870.3270 300.6640 -183297.8331 -148773.8302 300.9444 86.1942 121.4916 556665.1995 9.3624 9.3846 PRESSURE: 816600 195.649 -6.16836 45.4771 -6.16949 297.979 -68.8608 45.4757 -68.8587 98.6907 GPRESSURE: 816600 232.243 46.0091 54.816 51.2746 290.671 -129.232 106.268 -31.075 164.717 PRESSAVG: 816600 -14.6391 27.6181 3.89816 27.6181 44.4534 3.08402 3.89807 3.08416 6.5831 GPRESSAVG: 816600 -15.7709 28.3784 3.92218 31.0469 44.7212 3.31285 5.18082 4.39456 7.5729 TIMING: 816600 CPU: 2365.14, 0.00289547/step Wall: 2365.14, 0.00289547/step, 3.3647 hours remaining, 207.332031 MB of memory in use. ENERGY: 816600 735.3498 2091.8457 1941.2748 128.7137 -205746.6372 17831.2978 0.0000 0.0000 34123.6438 -148894.5116 298.0103 -183018.1554 -148801.8528 300.1143 197.4395 229.2101 555592.3927 12.1324 12.1744 PRESSURE: 816800 -268.01 81.9977 12.0681 81.9965 -386.908 19.7626 12.0701 19.7627 -10.8106 GPRESSURE: 816800 -264.873 32.6708 -58.1038 80.7549 -352.636 -62.2999 -33.087 71.6092 49.764 PRESSAVG: 816800 19.2597 30.1533 93.2662 30.1533 -33.6172 37.3204 93.2661 37.3204 24.8136 GPRESSAVG: 816800 21.3388 29.2295 95.6521 28.8691 -34.2991 35.7186 91.3578 36.1411 23.5433 TIMING: 816800 CPU: 2365.72, 0.00289084/step Wall: 2365.72, 0.00289084/step, 3.35916 hours remaining, 207.332031 MB of memory in use. ENERGY: 816800 746.7667 2147.3334 1950.1926 110.3504 -205874.1750 17437.3959 0.0000 0.0000 34488.7307 -148993.4054 301.1987 -183482.1361 -148903.4470 300.2830 -221.9098 -189.2485 556632.7047 3.4854 3.5277 PRESSURE: 817000 -74.6888 -2.7069 63.3064 -2.70697 78.9862 -149.52 63.3059 -149.52 79.532 GPRESSURE: 817000 -12.2529 -27.6327 -6.37658 93.7262 98.9593 -111.946 93.0192 -165.775 80.5193 PRESSAVG: 817000 45.627 -30.3352 -39.6836 -30.3352 -31.1484 -6.18174 -39.6836 -6.18184 -6.45061 GPRESSAVG: 817000 44.4314 -28.8079 -39.476 -32.2026 -31.1539 -4.93094 -41.1408 -7.00591 -5.52943 TIMING: 817000 CPU: 2366.3, 0.00290296/step Wall: 2366.3, 0.00290296/step, 3.37308 hours remaining, 207.332031 MB of memory in use. ENERGY: 817000 714.4343 2142.5565 1934.1281 117.2430 -206047.3146 17839.4951 0.0000 0.0000 34338.0532 -148961.4045 299.8828 -183299.4577 -148866.5186 300.0624 27.9431 55.7419 558491.8729 2.6760 2.5827 PRESSURE: 817200 -66.3096 57.6346 27.0705 57.6339 1.49808 -138.026 27.0703 -138.027 -102.264 GPRESSURE: 817200 -24.6833 21.9988 78.6568 70.696 31.3252 -147.783 56.0013 -62.3773 -81.0448 PRESSAVG: 817200 10.7322 33.5647 -24.1809 33.5646 -29.19 -23.2359 -24.181 -23.2359 -15.937 GPRESSAVG: 817200 11.1934 31.9986 -25.7581 33.5364 -29.9391 -22.7439 -21.4828 -23.6874 -15.801 TIMING: 817200 CPU: 2366.88, 0.00287487/step Wall: 2366.88, 0.00287487/step, 3.34028 hours remaining, 207.332031 MB of memory in use. ENERGY: 817200 744.1490 2119.0318 1950.8425 109.3155 -205926.8196 17754.7311 0.0000 0.0000 34341.2345 -148907.5151 299.9105 -183248.7497 -148810.3332 299.8165 -55.6917 -24.8009 558823.1162 -11.4649 -11.5155 PRESSURE: 817400 -62.9171 -13.8818 75.9495 -13.881 -352.843 169.281 75.9502 169.283 63.795 GPRESSURE: 817400 -56.6747 22.5804 111.174 11.8953 -367.101 111.849 111.785 231.381 178.316 PRESSAVG: 817400 26.622 -81.861 -36.1018 -81.8611 -64.1333 -13.2641 -36.1017 -13.2641 2.87568 GPRESSAVG: 817400 26.2626 -82.2027 -37.4134 -80.8494 -62.7603 -15.7855 -34.6281 -11.0899 1.98861 TIMING: 817400 CPU: 2367.46, 0.00288518/step Wall: 2367.46, 0.00288518/step, 3.3521 hours remaining, 207.332031 MB of memory in use. ENERGY: 817400 738.4530 2065.1429 1931.0995 112.7894 -205662.7224 17636.1094 0.0000 0.0000 34241.1285 -148937.9997 299.0363 -183179.1281 -148833.8676 300.2294 -117.3216 -81.8199 558245.5064 -11.5452 -11.5030 PRESSURE: 817600 145.244 54.8421 65.7411 54.8434 243.11 64.1374 65.7411 64.1371 -9.7227 GPRESSURE: 817600 140.914 -9.20175 23.0701 0.231548 285.67 77.7252 97.8931 18.4626 55.785 PRESSAVG: 817600 4.25307 16.593 25.7469 16.5929 11.9972 32.79 25.7469 32.7901 0.726901 GPRESSAVG: 817600 4.60243 15.5735 25.5649 16.3623 9.69107 35.4144 24.5175 33.0729 2.83415 TIMING: 817600 CPU: 2368.04, 0.0029061/step Wall: 2368.04, 0.0029061/step, 3.37624 hours remaining, 207.332031 MB of memory in use. ENERGY: 817600 774.6918 2080.5732 1932.9229 111.6569 -206272.5579 18156.8358 0.0000 0.0000 34428.2576 -148787.6197 300.6705 -183215.8773 -148694.5074 300.7301 126.2105 160.7896 558567.5515 5.6590 5.7092 PRESSURE: 817800 89.859 67.4265 -52.9513 67.4277 -36.5522 -23.9387 -52.9519 -23.9382 273.365 GPRESSURE: 817800 132.325 99.6453 28.8792 -12.1841 -22.7211 103.909 -148.316 -105.941 326.943 PRESSAVG: 817800 -54.5535 6.2753 43.4523 6.27526 62.4698 4.48541 43.4523 4.48522 -0.312962 GPRESSAVG: 817800 -54.7181 5.53067 45.1019 6.09674 63.7673 1.47047 44.212 4.57515 -1.0883 TIMING: 817800 CPU: 2368.62, 0.00290015/step Wall: 2368.62, 0.00290015/step, 3.36917 hours remaining, 207.332031 MB of memory in use. ENERGY: 817800 735.4936 2064.6350 1964.1307 121.8653 -206076.9796 17856.7129 0.0000 0.0000 34319.6081 -149014.5340 299.7217 -183334.1421 -148907.9154 300.1544 108.8904 145.5157 557659.1913 2.5345 2.6536 PRESSURE: 818000 -43.9551 -80.3988 -50.9031 -80.3989 114.887 -74.6758 -50.9034 -74.6763 142.095 GPRESSURE: 818000 -0.374342 -10.7627 -99.1708 -85.6925 138.529 10.0507 -2.90233 -118.582 185.869 PRESSAVG: 818000 5.6945 49.0296 -39.1288 49.0297 -24.8612 -12.1656 -39.1288 -12.1655 -2.70647 GPRESSAVG: 818000 4.68807 51.535 -39.6145 48.7605 -22.8591 -11.1247 -41.0857 -11.5359 -3.84499 TIMING: 818000 CPU: 2369.19, 0.00288457/step Wall: 2369.19, 0.00288457/step, 3.35091 hours remaining, 207.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 818000 770.4614 2109.2103 1953.5891 121.3687 -206143.1277 17962.6200 0.0000 0.0000 34240.7915 -148985.0866 299.0333 -183225.8781 -148892.4633 299.7539 71.0090 108.0081 558155.4708 -7.2911 -7.3387 PRESSURE: 818200 -241.59 -5.46642 -23.5985 -5.46532 -256.549 -159.897 -23.5992 -159.898 41.3108 GPRESSURE: 818200 -171.879 -58.5298 -8.87081 -61.1911 -212.793 -159.049 26.302 -118.724 29.4069 PRESSAVG: 818200 5.84272 53.2345 45.1895 53.2346 -45.7229 -29.9234 45.1894 -29.9233 49.936 GPRESSAVG: 818200 7.57747 52.1491 45.1727 53.2401 -47.1608 -30.1032 46.2538 -30.6434 49.5681 TIMING: 818200 CPU: 2369.77, 0.00290415/step Wall: 2369.77, 0.00290415/step, 3.3735 hours remaining, 207.332031 MB of memory in use. ENERGY: 818200 783.7770 2130.6876 1930.8690 113.6114 -205813.7817 17655.4060 0.0000 0.0000 34248.2200 -148951.2106 299.0982 -183199.4306 -148859.7407 299.9942 -152.2761 -118.4218 558319.0855 3.3519 3.3283 PRESSURE: 818400 132.927 -9.08163 24.8854 -9.08191 -176.323 -38.6999 24.8851 -38.7001 46.3374 GPRESSURE: 818400 153.772 -0.693661 -65.0776 14.0863 -178.6 2.63072 92.4646 -6.41252 120.905 PRESSAVG: 818400 25.052 47.4244 10.7693 47.4243 -34.0568 16.0937 10.7694 16.0936 3.56596 GPRESSAVG: 818400 23.5994 47.7014 12.5338 47.0393 -34.9124 17.0057 8.32781 15.0434 5.68885 TIMING: 818400 CPU: 2370.35, 0.00288296/step Wall: 2370.35, 0.00288296/step, 3.34871 hours remaining, 207.332031 MB of memory in use. ENERGY: 818400 767.4879 2132.1056 1955.7216 110.9257 -206589.5890 18150.5624 0.0000 0.0000 34144.7597 -149328.0260 298.1947 -183472.7856 -149234.2398 299.8770 0.9804 32.0258 559196.8565 -1.8130 -1.8747 PRESSURE: 818600 -151.173 1.11036 -172.646 1.11062 -391.164 48.0691 -172.647 48.0686 7.69697 GPRESSURE: 818600 -103.591 57.8147 -127.929 -39.979 -333.413 130.728 -256.368 30.1668 -1.26704 PRESSAVG: 818600 61.1565 58.1734 2.32206 58.1734 -95.5888 1.82651 2.32202 1.82659 72.3599 GPRESSAVG: 818600 61.7337 59.4557 0.578282 57.6987 -95.4772 1.59872 2.65222 1.6301 71.4666 TIMING: 818600 CPU: 2370.93, 0.00290193/step Wall: 2370.93, 0.00290193/step, 3.37059 hours remaining, 207.332031 MB of memory in use. ENERGY: 818600 790.2208 2090.5326 1975.7262 113.3996 -206055.7038 17577.9649 0.0000 0.0000 34075.2045 -149432.6554 297.5872 -183507.8598 -149328.4582 298.9427 -178.2136 -146.0903 558016.3804 12.6426 12.5744 PRESSURE: 818800 -149.11 -145.121 148.372 -145.121 36.0037 112.022 148.373 112.023 -105.223 GPRESSURE: 818800 -185.324 -225.122 201.313 -81.8714 127.014 89.275 146.228 134.934 -82.3336 PRESSAVG: 818800 22.1999 24.5719 -81.4511 24.5719 -23.828 -11.2389 -81.4512 -11.2389 17.2891 GPRESSAVG: 818800 22.2582 23.4802 -80.6993 27.3671 -24.0601 -12.1073 -79.801 -11.0358 17.1385 TIMING: 818800 CPU: 2371.51, 0.00288267/step Wall: 2371.51, 0.00288267/step, 3.34806 hours remaining, 207.332031 MB of memory in use. ENERGY: 818800 758.7856 2060.1548 1962.3388 108.1372 -206156.2240 17680.6252 0.0000 0.0000 34212.8330 -149373.3493 298.7892 -183586.1823 -149270.3892 298.7707 -72.7763 -46.8812 556912.6055 5.2204 5.1122 PRESSURE: 819000 -71.2863 -7.67264 -13.8959 -7.67446 -32.9172 -134.162 -13.897 -134.162 -278.612 GPRESSURE: 819000 -106.224 31.0016 -8.88314 -49.7912 -28.0199 -154.767 20.22 -91.223 -145.151 PRESSAVG: 819000 -26.9258 -26.2514 -30.4236 -26.2513 24.1935 -14.6932 -30.4235 -14.6933 10.6288 GPRESSAVG: 819000 -27.5864 -24.806 -31.1862 -29.3009 24.157 -12.8323 -30.9557 -14.9 11.9916 TIMING: 819000 CPU: 2372.09, 0.0028936/step Wall: 2372.09, 0.0028936/step, 3.3606 hours remaining, 207.332031 MB of memory in use. ENERGY: 819000 757.3197 2098.1321 1960.7931 113.0176 -206142.7842 17712.2817 0.0000 0.0000 34128.3177 -149372.9223 298.0511 -183501.2401 -149280.3390 298.6417 -127.6052 -93.1314 557318.2362 2.6322 2.8541 PRESSURE: 819200 -74.7792 147.447 130.651 147.448 -173.915 -123.558 130.651 -123.558 83.1293 GPRESSURE: 819200 -62.2858 142.015 115.796 190.4 -148.524 -141.82 152.56 -83.7926 138.648 PRESSAVG: 819200 21.2073 26.6846 -11.8241 26.6846 -13.4096 38.3059 -11.824 38.306 10.5466 GPRESSAVG: 819200 22.5045 27.5057 -12.0366 27.904 -12.5744 38.0461 -11.1945 38.8419 8.0431 TIMING: 819200 CPU: 2372.67, 0.0028911/step Wall: 2372.67, 0.0028911/step, 3.35753 hours remaining, 207.332031 MB of memory in use. ENERGY: 819200 785.1755 2130.0519 1932.1400 118.0937 -206560.1086 18030.2089 0.0000 0.0000 34088.2737 -149476.1648 297.7014 -183564.4385 -149377.6731 298.6176 -55.1884 -24.0540 558290.4826 6.1148 5.9911 PRESSURE: 819400 -155.825 -148.814 -7.29906 -148.814 -169.758 -99.9002 -7.29878 -99.9003 235.679 GPRESSURE: 819400 -144.736 -75.8607 38.1582 -174.167 -155.14 -78.6049 -76.3033 -225.063 308.268 PRESSAVG: 819400 -59.1074 -59.3939 -10.1128 -59.3938 7.23486 -13.6561 -10.1129 -13.6561 35.6282 GPRESSAVG: 819400 -60.8062 -61.2872 -9.32089 -57.953 8.07045 -14.6531 -12.7461 -12.417 36.6311 TIMING: 819400 CPU: 2373.24, 0.00289137/step Wall: 2373.24, 0.00289137/step, 3.35768 hours remaining, 207.332031 MB of memory in use. ENERGY: 819400 746.3673 2150.6952 1966.1080 133.2771 -206367.8764 17721.2453 0.0000 0.0000 34366.8490 -149283.3345 300.1342 -183650.1835 -149189.3244 298.6716 -29.9677 2.7970 558220.5691 -5.4148 -5.3682 PRESSURE: 819600 -271.75 -35.9496 12.7179 -35.9496 282.475 49.9357 12.7178 49.9356 89.6145 GPRESSURE: 819600 -308.066 20.9117 10.6114 -66.8519 373.43 -4.69935 4.31687 127.92 122.075 PRESSAVG: 819600 -44.9789 -21.1287 18.1347 -21.1288 -50.9726 70.7335 18.1346 70.7335 87.1734 GPRESSAVG: 819600 -43.9467 -20.6986 16.7041 -21.037 -51.5369 71.7585 21.7091 69.2222 86.4448 TIMING: 819600 CPU: 2373.82, 0.00288583/step Wall: 2373.82, 0.00288583/step, 3.35109 hours remaining, 207.332031 MB of memory in use. ENERGY: 819600 799.9757 2055.0299 1948.2680 109.3883 -206733.9223 18150.7822 0.0000 0.0000 34272.5533 -149397.9249 299.3107 -183670.4782 -149308.7559 299.3950 33.4465 62.4798 557824.9734 -2.9260 -3.0129 PRESSURE: 819800 -321.303 97.627 -59.3184 97.6282 -92.289 -25.2796 -59.3188 -25.2793 -131.178 GPRESSURE: 819800 -300.023 31.9307 -62.3044 116.159 -42.7836 5.52338 -55.5597 -66.4493 -103.139 PRESSAVG: 819800 -73.6582 11.3833 30.1625 11.3833 26.6086 16.441 30.1625 16.441 52.1103 GPRESSAVG: 819800 -74.6183 10.1356 32.7778 11.0259 26.6078 15.5146 28.7646 17.3589 52.9365 TIMING: 819800 CPU: 2374.4, 0.0028765/step Wall: 2374.4, 0.0028765/step, 3.3401 hours remaining, 207.332031 MB of memory in use. ENERGY: 819800 733.4935 2131.3391 1953.6258 108.3455 -206284.3831 17646.4128 0.0000 0.0000 34465.8916 -149245.2749 300.9992 -183711.1665 -149149.3693 299.7056 -181.5899 -148.6484 557952.2828 1.6869 1.6420 PRESSURE: 820000 -32.2973 -108.866 90.0429 -108.866 182.572 31.1715 90.0426 31.1704 126.232 GPRESSURE: 820000 3.1663 -205.347 42.6662 -69.7481 226.407 62.154 96.1465 66.5955 144.011 PRESSAVG: 820000 35.8977 17.2653 -21.8907 17.2653 5.64912 1.05368 -21.8907 1.05365 -10.411 GPRESSAVG: 820000 36.225 17.7514 -22.6023 14.8932 5.52936 0.969023 -20.8876 -0.0469912 -10.4826 TIMING: 820000 CPU: 2374.97, 0.0028883/step Wall: 2374.97, 0.00288831/step, 3.35364 hours remaining, 207.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 820000 757.2415 2092.6443 1957.9155 120.9197 -206668.1851 18070.9968 0.0000 0.0000 34349.0969 -149319.3704 299.9792 -183668.4674 -149226.3502 299.2141 92.1690 124.5283 557568.1608 10.3786 10.4239 PRESSURE: 820200 -53.0242 -8.28825 -304.089 -8.28805 -129.23 -138.559 -304.088 -138.56 214.314 GPRESSURE: 820200 -22.8637 -50.2003 -278.221 -24.0147 -72.9376 -185.429 -291.308 -97.2387 217.147 PRESSAVG: 820200 19.9558 22.9745 -48.3235 22.9746 -2.73379 -50.334 -48.3235 -50.3339 1.81065 GPRESSAVG: 820200 19.7027 23.2102 -48.0902 25.2099 -3.16093 -50.3743 -49.0807 -50.1438 2.0754 TIMING: 820200 CPU: 2375.56, 0.00290955/step Wall: 2375.56, 0.00290955/step, 3.37815 hours remaining, 207.332031 MB of memory in use. ENERGY: 820200 721.4919 2087.6662 1956.5920 122.3264 -206066.6149 17629.9137 0.0000 0.0000 34260.8004 -149287.8242 299.2081 -183548.6245 -149185.2269 298.5113 10.6866 40.4486 556942.8893 6.3442 6.2057 LDB: ============= START OF LOAD BALANCING ============== 2378.94 LDB: ============== END OF LOAD BALANCING =============== 2378.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2378.94 LDB: ============= START OF LOAD BALANCING ============== 2379.24 LDB: Largest compute 4820 load 0.030859 is 26.2% of average load 0.117968 LDB: Average compute 0.001717 is 1.5% of average load 0.117968 LDB: TIME 2379.24 LOAD: AVG 0.117968 MAX 0.188226 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 2379.24 LOAD: AVG 0.117968 MAX 0.188226 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: TIME 2379.24 LOAD: AVG 0.117968 MAX 0.188226 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2379.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2379.24 PRESSURE: 820400 27.7778 -43.1819 70.4301 -43.1831 -35.4303 123.442 70.4298 123.441 -59.0797 GPRESSURE: 820400 76.3582 -57.0808 145.815 -25.7895 -16.5277 61.5015 76.8125 130.902 -19.4256 PRESSAVG: 820400 71.0247 -6.0685 -29.2634 -6.06853 0.325203 7.65655 -29.2635 7.65653 -48.9307 GPRESSAVG: 820400 71.5195 -9.57403 -28.8004 -5.72614 -0.288809 7.3838 -31.2924 10.8782 -48.2291 TIMING: 820400 CPU: 2376.15, 0.00296678/step Wall: 2376.15, 0.00296678/step, 3.44443 hours remaining, 207.273438 MB of memory in use. ENERGY: 820400 781.7477 2099.8842 1944.3447 118.0943 -206251.6143 17736.2247 0.0000 0.0000 34261.1620 -149310.1566 299.2112 -183571.3185 -149217.8820 299.4339 -22.2440 13.4683 557216.4437 7.4731 7.6672 PRESSURE: 820600 -447.825 120.607 -124.795 120.608 -115.599 99.6513 -124.796 99.653 -235.499 GPRESSURE: 820600 -382.412 105.687 -134.847 167.833 -95.3317 108.724 -150.638 51.9362 -233.018 PRESSAVG: 820600 16.5714 24.2025 52.9731 24.2027 -37.6851 8.79107 52.9731 8.79117 31.4191 GPRESSAVG: 820600 16.0426 25.6779 53.1449 25.1922 -36.0265 10.2621 54.9276 5.95884 30.5414 TIMING: 820600 CPU: 2376.73, 0.00288791/step Wall: 2376.73, 0.00288791/step, 3.3527 hours remaining, 207.476562 MB of memory in use. ENERGY: 820600 796.8470 2086.1789 1939.3706 118.0916 -205927.4929 17562.8995 0.0000 0.0000 34328.0626 -149096.0427 299.7955 -183424.1053 -148996.7714 299.1627 -266.3077 -236.9206 559417.7118 3.4352 3.5192 PRESSURE: 820800 -131.411 -45.9223 -63.4536 -45.9222 -17.6064 -9.04388 -63.4527 -9.04385 -123.453 GPRESSURE: 820800 -68.0381 -79.2648 -28.0881 -14.3718 1.28046 -16.4675 -87.5654 16.8049 -116.6 PRESSAVG: 820800 -49.3023 8.04868 -27.5958 8.04866 25.2554 19.4833 -27.5959 19.4832 57.6323 GPRESSAVG: 820800 -48.5034 10.017 -26.8473 5.67847 24.6476 19.7051 -28.8988 17.7208 57.1534 TIMING: 820800 CPU: 2377.31, 0.00289728/step Wall: 2377.31, 0.00289728/step, 3.36342 hours remaining, 207.476562 MB of memory in use. ENERGY: 820800 769.0373 2096.2487 1929.2802 108.6988 -206162.9707 17853.6418 0.0000 0.0000 34476.6225 -148929.4413 301.0929 -183406.0638 -148824.6737 300.5160 -90.8236 -61.1193 558525.3260 11.1951 11.0992 PRESSURE: 821000 -73.3943 -36.6206 -114.05 -36.6199 81.1793 89.962 -114.049 89.9625 -15.8831 GPRESSURE: 821000 -48.3794 -47.2947 -147.929 -23.613 142.156 106.594 -45.6811 84.5434 -12.2688 PRESSAVG: 821000 -5.25363 46.4839 1.049 46.4839 -12.0306 -13.6992 1.04907 -13.6993 1.24006 GPRESSAVG: 821000 -6.59209 45.3793 -1.06399 47.9803 -11.2973 -15.0945 3.93212 -11.1896 1.86154 TIMING: 821000 CPU: 2377.89, 0.00291057/step Wall: 2377.89, 0.00291057/step, 3.37869 hours remaining, 207.476562 MB of memory in use. ENERGY: 821000 776.9300 2088.5492 1950.6657 112.7528 -206596.3184 17995.8454 0.0000 0.0000 34443.1051 -149228.4702 300.8002 -183671.5753 -149132.4286 300.2480 -2.6994 27.1694 557905.0623 -5.3480 -5.3426 PRESSURE: 821200 -158.854 -5.25303 8.02875 -5.25337 185.678 61.6374 8.02947 61.6364 173.395 GPRESSURE: 821200 -101.598 -5.67425 -30.9757 53.8994 194.273 -19.0949 61.756 122.672 206.343 PRESSAVG: 821200 -49.4833 -0.600808 -93.5444 -0.60076 88.0525 47.0795 -93.5443 47.0796 -22.1799 GPRESSAVG: 821200 -49.9149 -0.97674 -93.7791 -0.737192 87.7445 46.6901 -93.4183 45.6825 -22.0317 TIMING: 821200 CPU: 2378.46, 0.00287731/step Wall: 2378.46, 0.00287731/step, 3.33992 hours remaining, 207.476562 MB of memory in use. ENERGY: 821200 721.6101 2080.9878 1979.0896 122.5400 -206168.7202 17804.8947 0.0000 0.0000 34294.6434 -149164.9545 299.5037 -183459.5979 -149069.5812 299.7836 66.7394 99.6726 557083.0133 5.4631 5.2660 PRESSURE: 821400 -169.283 -107.43 108.284 -107.43 -53.9963 182.92 108.284 182.922 -115.934 GPRESSURE: 821400 -96.5213 -83.3625 126.516 -87.2982 -56.0462 141.803 115.555 128.519 -97.4947 PRESSAVG: 821400 10.4952 -42.3438 -34.4232 -42.3437 81.1148 47.8288 -34.4231 47.8288 -60.7295 GPRESSAVG: 821400 10.5443 -41.5434 -34.0514 -43.6674 80.6562 48.1188 -36.847 48.066 -60.0724 TIMING: 821400 CPU: 2379.04, 0.00288437/step Wall: 2379.04, 0.00288437/step, 3.34795 hours remaining, 207.476562 MB of memory in use. ENERGY: 821400 747.2588 2032.7054 1950.0189 113.9402 -206232.6037 17841.0616 0.0000 0.0000 34184.6513 -149362.9676 298.5431 -183547.6189 -149266.8370 299.6347 -113.0711 -83.3541 559043.8338 10.2935 10.3761 PRESSURE: 821600 177.637 -16.8224 117.682 -16.8214 -184.918 77.5482 117.682 77.5483 -257.726 GPRESSURE: 821600 143.814 -35.9001 59.5102 7.89614 -149.196 45.5797 163.392 78.2515 -170.829 PRESSAVG: 821600 -23.4472 17.3152 -42.0455 17.3151 33.6254 18.9038 -42.0456 18.9037 -9.37291 GPRESSAVG: 821600 -23.5834 17.8054 -40.4961 17.3373 34.175 19.5127 -42.2806 21.5404 -9.91877 TIMING: 821600 CPU: 2379.62, 0.00289381/step Wall: 2379.62, 0.00289381/step, 3.35874 hours remaining, 207.476562 MB of memory in use. ENERGY: 821600 756.5941 2144.3757 1941.8420 123.6985 -206256.2288 17767.3392 0.0000 0.0000 34228.0193 -149294.3600 298.9218 -183522.3794 -149206.6427 299.4350 -88.3356 -58.7369 556479.9251 0.2684 0.2243 PRESSURE: 821800 13.1018 -95.425 14.972 -95.4248 -142.052 -368.015 14.9714 -368.015 -41.9648 GPRESSURE: 821800 51.3615 -59.2706 45.6614 -73.9405 -119.603 -312.442 26.5917 -329.802 -5.38634 PRESSAVG: 821800 4.82508 3.36115 -19.5266 3.36102 19.0736 -6.36102 -19.5268 -6.36106 35.127 GPRESSAVG: 821800 4.79042 1.23791 -21.3159 4.46187 19.2231 -7.54514 -17.943 -6.86166 35.2982 TIMING: 821800 CPU: 2380.2, 0.00289956/step Wall: 2380.2, 0.00289956/step, 3.36526 hours remaining, 207.476562 MB of memory in use. ENERGY: 821800 752.1984 2087.3072 1950.1327 114.7527 -206294.9271 17704.8427 0.0000 0.0000 34196.6788 -149489.0145 298.6481 -183685.6934 -149396.5998 298.7706 -56.9716 -24.5427 557288.7185 19.6752 19.7706 PRESSURE: 822000 65.7127 -226.131 322.455 -226.132 330.067 195.62 322.454 195.619 35.2685 GPRESSURE: 822000 66.6879 -188.083 268.777 -194.425 381.523 120.39 259.649 205.18 70.6944 PRESSAVG: 822000 63.0193 -15.5844 -14.2295 -15.5845 27.758 10.3176 -14.2295 10.3175 -26.275 GPRESSAVG: 822000 63.4876 -13.0791 -13.1926 -14.4793 29.0189 13.4995 -15.6893 6.93531 -27.4819 TIMING: 822000 CPU: 2380.78, 0.00290675/step Wall: 2380.78, 0.00290675/step, 3.37345 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 822000 724.1093 2102.1399 1946.8737 126.0703 -206657.1699 18017.3540 0.0000 0.0000 34181.3771 -149559.2456 298.5145 -183740.6227 -149458.2944 298.6511 143.6826 172.9684 556411.7971 21.5008 21.6749 PRESSURE: 822200 -72.5301 22.0505 163.843 22.051 -203.149 -45.7608 163.842 -45.7601 132.347 GPRESSURE: 822200 -53.6783 75.4309 178.702 -86.9644 -118.846 -110.566 160.769 -8.61668 129.297 PRESSAVG: 822200 10.2452 -8.69589 66.8235 -8.69591 51.7941 4.60352 66.8236 4.60361 -59.2803 GPRESSAVG: 822200 10.4556 -8.63489 69.1717 -11.3208 51.0339 1.77234 64.6639 6.15494 -58.692 TIMING: 822200 CPU: 2381.36, 0.00289909/step Wall: 2381.36, 0.00289909/step, 3.36439 hours remaining, 207.476562 MB of memory in use. ENERGY: 822200 753.2042 2100.5801 1935.5478 114.8489 -206352.5091 17711.6732 0.0000 0.0000 34189.4374 -149547.2174 298.5849 -183736.6548 -149439.4075 298.4535 -47.7775 -14.4091 557137.9377 0.9197 0.9325 PRESSURE: 822400 226.106 0.753859 -17.7023 0.754728 102.113 -36.0946 -17.7025 -36.0954 -50.0659 GPRESSURE: 822400 222.229 -13.6622 51.0099 -69.4944 128.336 -44.6057 -86.7357 17.5947 29.6658 PRESSAVG: 822400 27.6166 -22.066 64.3645 -22.066 26.7762 15.7564 64.3646 15.7563 -39.4286 GPRESSAVG: 822400 26.3119 -22.9831 61.1496 -20.1945 28.079 14.4017 66.6436 18.8129 -39.2658 TIMING: 822400 CPU: 2381.94, 0.00288497/step Wall: 2381.94, 0.00288497/step, 3.34785 hours remaining, 207.476562 MB of memory in use. ENERGY: 822400 748.3145 2140.5174 1934.3691 119.8299 -207011.7181 18177.2027 0.0000 0.0000 34273.7993 -149617.6853 299.3216 -183891.4845 -149524.6712 298.0611 92.7176 126.7437 556445.3024 4.9881 5.0417 PRESSURE: 822600 5.61696 -29.2671 -2.17144 -29.2672 -121.256 -144.616 -2.17031 -144.617 155.337 GPRESSURE: 822600 101.52 -8.87363 44.1708 -51.9684 -124.425 -78.4124 24.0759 -130.704 157.031 PRESSAVG: 822600 53.3806 7.92666 23.3613 7.92665 21.5796 -23.4124 23.3613 -23.4124 -72.2826 GPRESSAVG: 822600 54.9722 8.06219 24.261 6.91682 20.2639 -20.5009 22.5788 -24.5351 -72.8297 TIMING: 822600 CPU: 2382.52, 0.00290617/step Wall: 2382.52, 0.00290617/step, 3.37228 hours remaining, 207.476562 MB of memory in use. ENERGY: 822600 729.8938 2129.3519 1930.7183 112.4143 -206200.6618 17797.7103 0.0000 0.0000 33978.3170 -149522.2562 296.7411 -183500.5732 -149424.2662 297.5464 13.2326 44.7086 558551.7384 0.8925 0.8021 PRESSURE: 822800 -330.361 130.587 172.144 130.588 -317.628 7.24044 172.144 7.24156 -46.7064 GPRESSURE: 822800 -332.115 48.5756 83.3706 113.624 -270.334 36.3078 209.617 9.16852 11.274 PRESSAVG: 822800 34.3853 31.8548 19.9194 31.8549 16.6448 -16.204 19.9196 -16.2039 -0.120751 GPRESSAVG: 822800 34.2563 31.199 20.3661 32.3003 16.4676 -16.3169 20.1806 -18.4607 -0.25992 TIMING: 822800 CPU: 2383.1, 0.00291375/step Wall: 2383.1, 0.00291375/step, 3.38092 hours remaining, 207.476562 MB of memory in use. ENERGY: 822800 748.2695 2162.1486 1946.0265 108.8669 -205948.3742 17448.2895 0.0000 0.0000 34227.2155 -149307.5576 298.9148 -183534.7732 -149213.1948 298.1273 -231.5649 -197.0586 559018.2077 16.9698 16.8213 PRESSURE: 823000 231.889 -110.215 -156.213 -110.215 -7.8767 -6.28957 -156.215 -6.28983 298.823 GPRESSURE: 823000 240.666 -112.807 -114.319 -90.8814 71.9825 49.4753 -196.143 -57.772 316.937 PRESSAVG: 823000 -1.31725 -20.9242 -11.2883 -20.9242 -38.1135 1.23677 -11.2882 1.23682 59.4775 GPRESSAVG: 823000 -2.61421 -20.9645 -11.6634 -22.1788 -36.9511 1.66155 -11.5952 0.747606 59.9936 TIMING: 823000 CPU: 2383.68, 0.00289018/step Wall: 2383.68, 0.00289018/step, 3.35341 hours remaining, 207.476562 MB of memory in use. ENERGY: 823000 717.0079 2121.5529 1946.1434 120.8191 -206947.1673 18340.6978 0.0000 0.0000 34388.9472 -149311.9990 300.3272 -183700.9462 -149219.8048 299.0830 174.2783 209.8618 557301.5177 6.6823 6.8094 PRESSURE: 823200 -291.473 54.8436 -194.843 54.8438 -160.13 -130.932 -194.844 -130.931 -23.733 GPRESSURE: 823200 -267.154 6.88094 -127.315 50.3936 -64.6141 -186.274 -244.11 -116.956 -48.1158 PRESSAVG: 823200 -45.8676 -8.14893 -27.5988 -8.149 -13.9045 2.69098 -27.5988 2.69088 41.3745 GPRESSAVG: 823200 -44.9403 -11.0507 -27.5663 -7.10532 -15.0772 0.156614 -28.0934 5.49573 41.2145 TIMING: 823200 CPU: 2384.26, 0.00288697/step Wall: 2384.26, 0.00288697/step, 3.34952 hours remaining, 207.476562 MB of memory in use. ENERGY: 823200 787.4289 2062.0187 1943.5583 112.9966 -206026.8228 17616.5709 0.0000 0.0000 34192.7118 -149311.5376 298.6135 -183504.2495 -149219.6490 299.2868 -158.4455 -126.6281 557534.7758 -6.1325 -6.2676 PRESSURE: 823400 44.4261 -87.1782 174.576 -87.1782 -217.884 10.8409 174.577 10.8404 -220.145 GPRESSURE: 823400 90.7907 40.1953 148.144 -140.411 -196.063 -10.0385 191.735 68.1064 -195.247 PRESSAVG: 823400 22.4466 10.8244 11.2829 10.8243 5.65842 -51.3927 11.2828 -51.3928 -29.0131 GPRESSAVG: 823400 24.0447 13.506 12.3305 11.9076 6.02693 -48.3612 10.8218 -52.2137 -30.2462 TIMING: 823400 CPU: 2384.83, 0.00288775/step Wall: 2384.83, 0.00288775/step, 3.35027 hours remaining, 207.476562 MB of memory in use. ENERGY: 823400 742.8037 2139.1935 1910.4633 117.3860 -206441.9552 17973.3233 0.0000 0.0000 34258.8218 -149299.9636 299.1908 -183558.7854 -149198.0073 298.9481 -131.2012 -100.1731 558868.3704 -0.3027 -0.0582 PRESSURE: 823600 133.052 -176.837 -3.44461 -176.838 70.086 -150.531 -3.44432 -150.531 -173.455 GPRESSURE: 823600 81.0314 -88.3199 -27.6554 -243.142 139.311 -151.061 35.2476 -102.17 -85.0532 PRESSAVG: 823600 -16.9224 -43.013 -37.0605 -43.013 17.839 -37.4461 -37.0604 -37.4462 -17.5597 GPRESSAVG: 823600 -18.2237 -44.093 -37.9361 -43.8759 17.6118 -38.4741 -35.4804 -36.3678 -15.5688 TIMING: 823600 CPU: 2385.41, 0.00289525/step Wall: 2385.41, 0.00289525/step, 3.35881 hours remaining, 207.476562 MB of memory in use. ENERGY: 823600 781.2071 2155.4872 1944.9744 112.1252 -206813.0931 18114.5439 0.0000 0.0000 34420.9149 -149283.8402 300.6064 -183704.7551 -149190.1415 299.5460 9.8943 45.0964 556750.6910 -5.5477 -5.3935 PRESSURE: 823800 -199.352 40.4997 2.50957 40.4994 183.516 -18.2962 2.50971 -18.2961 -10.9088 GPRESSURE: 823800 -151.161 27.8944 25.9728 67.3753 175.415 74.5223 15.1767 -113.63 50.9702 PRESSAVG: 823800 -33.1597 46.4654 3.18157 46.4653 46.4612 22.5282 3.18153 22.5282 -7.81791 GPRESSAVG: 823800 -32.4494 47.5409 2.52678 45.6418 46.1442 22.4155 3.61643 22.1441 -8.31306 TIMING: 823800 CPU: 2385.99, 0.00289376/step Wall: 2385.99, 0.00289376/step, 3.35693 hours remaining, 207.476562 MB of memory in use. ENERGY: 823800 766.3972 2065.8791 1920.4904 113.7941 -206449.0061 18020.9675 0.0000 0.0000 34253.5671 -149307.9107 299.1449 -183561.4778 -149216.1582 299.0825 -8.9150 25.0747 557955.3110 1.8279 1.7939 PRESSURE: 824000 -160.048 -21.3873 98.0001 -21.3884 -53.5462 -69.5703 98.0003 -69.5729 -118.334 GPRESSURE: 824000 -149.488 -4.74876 -0.0565766 8.04278 -10.3007 -130.668 86.1271 12.5257 -63.2251 PRESSAVG: 824000 27.1405 10.7924 -9.86756 10.7924 -51.2489 11.9225 -9.86746 11.9226 22.6885 GPRESSAVG: 824000 26.6779 9.84674 -8.69031 10.9892 -48.586 10.5111 -9.92681 11.5292 20.8129 TIMING: 824000 CPU: 2386.57, 0.00291234/step Wall: 2386.57, 0.00291234/step, 3.37831 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 824000 728.2659 2135.2323 1954.0316 120.5556 -206258.9980 17774.8845 0.0000 0.0000 34083.7857 -149462.2424 297.6622 -183546.0281 -149369.9259 298.6904 -110.6428 -74.3379 556142.3203 -0.4733 -0.3651 PRESSURE: 824200 -27.4791 -81.0574 160.999 -81.0567 -68.9981 11.4466 160.999 11.4456 400.873 GPRESSURE: 824200 44.1914 -153.085 122.501 -82.9342 -39.1467 -54.9318 141.188 8.18237 380.05 PRESSAVG: 824200 -12.8023 -25.0501 -65.0055 -25.0502 -25.4298 -33.021 -65.0055 -33.021 27.2701 GPRESSAVG: 824200 -12.5916 -25.767 -65.9783 -25.1393 -26.853 -32.95 -63.5973 -31.5548 28.2351 TIMING: 824200 CPU: 2387.16, 0.00291147/step Wall: 2387.16, 0.00291147/step, 3.37714 hours remaining, 207.476562 MB of memory in use. ENERGY: 824200 731.2872 2169.7328 1933.1217 114.0179 -206553.7766 18045.5213 0.0000 0.0000 34192.8694 -149367.2263 298.6148 -183560.0956 -149268.0913 298.7441 101.4654 128.3650 557943.5691 -3.6540 -3.7365 LDB: ============= START OF LOAD BALANCING ============== 2390.55 LDB: ============== END OF LOAD BALANCING =============== 2390.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2390.55 LDB: ============= START OF LOAD BALANCING ============== 2390.84 LDB: Largest compute 4820 load 0.030108 is 25.5% of average load 0.117991 LDB: Average compute 0.001719 is 1.5% of average load 0.117991 LDB: TIME 2390.85 LOAD: AVG 0.117991 MAX 0.195104 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.273 MB LDB: TIME 2390.85 LOAD: AVG 0.117991 MAX 0.195104 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.477 MB LDB: TIME 2390.85 LOAD: AVG 0.117991 MAX 0.195104 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.477 MB LDB: ============== END OF LOAD BALANCING =============== 2390.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2390.85 PRESSURE: 824400 59.779 -64.0761 183.411 -64.0743 -246.893 -46.7488 183.41 -46.7477 10.5055 GPRESSURE: 824400 95.7314 -122.899 120.695 -12.9937 -181.046 14.6208 104.508 -82.9134 -3.95859 PRESSAVG: 824400 34.0299 10.5052 11.4774 10.5052 -47.7637 -64.2208 11.4774 -64.2207 27.6094 GPRESSAVG: 824400 34.9472 11.5731 11.6117 9.67256 -48.8851 -63.8225 12.0674 -65.7598 27.6938 TIMING: 824400 CPU: 2387.76, 0.0030023/step Wall: 2387.76, 0.0030023/step, 3.48234 hours remaining, 207.601562 MB of memory in use. ENERGY: 824400 770.7519 2088.0628 1933.1248 125.7387 -206419.3373 17809.3678 0.0000 0.0000 34420.8845 -149271.4068 300.6061 -183692.2913 -149182.8267 299.2486 -58.8695 -29.7577 557821.6242 4.6252 4.5853 PRESSURE: 824600 118.492 72.3358 -101.346 72.3354 -118.605 158.262 -101.345 158.261 -16.6952 GPRESSURE: 824600 107.683 115.513 -82.5723 30.3492 -46.5618 146.078 -173.272 160.478 24.4189 PRESSAVG: 824600 13.899 -16.2675 10.4158 -16.2674 -18.5516 -30.3854 10.4157 -30.3855 30.5834 GPRESSAVG: 824600 13.6242 -17.5698 9.69376 -15.0355 -18.44 -29.8963 8.75146 -30.3386 30.247 TIMING: 824600 CPU: 2388.34, 0.00293045/step Wall: 2388.34, 0.00293045/step, 3.39884 hours remaining, 207.601562 MB of memory in use. ENERGY: 824600 765.5264 2089.7593 1933.2878 117.6760 -206260.2850 17845.7122 0.0000 0.0000 34301.2515 -149207.0719 299.5614 -183508.3234 -149114.8444 299.0560 -5.6028 28.5134 557456.1010 8.6436 8.4771 PRESSURE: 824800 -169.63 85.8998 -9.6594 85.8981 -100.836 -126.198 -9.66029 -126.198 -362.369 GPRESSURE: 824800 -87.0696 91.4151 -16.1138 130.289 -126.985 -158.331 2.34584 -123.668 -307.52 PRESSAVG: 824800 34.6213 30.1674 52.0247 30.1675 48.3824 -99.786 52.0248 -99.786 -54.5325 GPRESSAVG: 824800 33.1146 31.0846 53.5007 27.6861 48.7276 -99.2729 50.8518 -99.853 -53.0813 TIMING: 824800 CPU: 2388.92, 0.00287762/step Wall: 2388.92, 0.00287762/step, 3.3374 hours remaining, 207.601562 MB of memory in use. ENERGY: 824800 779.1872 2063.3888 1940.9456 114.6657 -206128.0514 17627.5639 0.0000 0.0000 34277.3774 -149324.9230 299.3529 -183602.3003 -149227.5299 299.2592 -210.9449 -173.8580 556349.3603 9.4904 9.5870 PRESSURE: 825000 -31.34 -152.712 -21.7779 -152.711 7.20228 78.4205 -21.7774 78.4211 75.1988 GPRESSURE: 825000 19.5807 -99.976 22.638 -121.926 23.2199 75.3795 20.7354 145.802 109.307 PRESSAVG: 825000 56.9913 17.0146 -51.8873 17.0146 -45.8581 -48.0528 -51.8874 -48.0528 -1.7295 GPRESSAVG: 825000 57.5625 18.4857 -52.6771 17.2122 -46.6208 -49.0792 -51.4326 -46.2943 -1.79009 TIMING: 825000 CPU: 2389.49, 0.00287863/step Wall: 2389.49, 0.00287863/step, 3.33841 hours remaining, 207.601562 MB of memory in use. ENERGY: 825000 814.2150 2109.3737 1936.1391 118.0128 -206325.4174 17864.1223 0.0000 0.0000 34264.1135 -149219.4411 299.2370 -183483.5546 -149118.7750 298.9655 17.0204 50.7024 555748.1812 3.1346 3.0505 PRESSURE: 825200 33.5836 136.388 86.0316 136.389 -153.75 145.873 86.0329 145.875 -202.584 GPRESSURE: 825200 -22.3253 63.4989 66.6186 119.259 -40.6216 177.447 80.8976 124.687 -163.528 PRESSAVG: 825200 78.1689 24.2257 15.0623 24.2256 -34.5322 0.617976 15.0624 0.618002 -50.5165 GPRESSAVG: 825200 78.6115 21.6387 16.0333 25.9519 -33.8583 2.42691 12.8642 -2.04903 -51.8989 TIMING: 825200 CPU: 2390.07, 0.00289594/step Wall: 2390.07, 0.00289594/step, 3.35832 hours remaining, 207.601562 MB of memory in use. ENERGY: 825200 794.6936 2113.2030 1919.3229 121.8738 -206260.9498 17830.7437 0.0000 0.0000 34266.5445 -149214.5682 299.2583 -183481.1127 -149114.9974 298.6273 -107.5835 -75.4917 557504.2006 -2.2933 -2.3819 PRESSURE: 825400 71.0432 87.3396 -2.84218 87.3378 -25.8327 -131.409 -2.8436 -131.41 124.402 GPRESSURE: 825400 146.273 77.4785 -8.3665 123.586 7.86069 -42.4279 28.5954 -96.6838 99.3461 PRESSAVG: 825400 44.634 -5.94541 -27.536 -5.94556 -33.7407 24.4247 -27.5361 24.4247 -14.1968 GPRESSAVG: 825400 43.0699 -4.1221 -27.9366 -8.58732 -32.9966 23.9505 -24.6368 26.9593 -14.008 TIMING: 825400 CPU: 2390.65, 0.00290656/step Wall: 2390.65, 0.00290656/step, 3.37048 hours remaining, 207.601562 MB of memory in use. ENERGY: 825400 758.8321 2090.3565 1943.5862 124.7244 -206001.0430 17655.6557 0.0000 0.0000 34260.2326 -149167.6553 299.2031 -183427.8879 -149077.0727 299.2832 56.5376 84.4934 556476.5501 -1.1012 -1.3116 PRESSURE: 825600 -284.705 77.1216 -24.5905 77.1207 -90.1521 60.6557 -24.5909 60.6556 -293.372 GPRESSURE: 825600 -269.68 148.201 19.7714 -72.67 -67.0062 110.813 -19.2369 32.9097 -234.181 PRESSAVG: 825600 -16.4131 10.2712 18.8673 10.2711 -72.3128 42.4587 18.8674 42.4586 92.3299 GPRESSAVG: 825600 -15.3888 8.66072 19.0054 12.5348 -72.9343 41.0239 18.773 41.9941 91.8643 TIMING: 825600 CPU: 2391.23, 0.00289219/step Wall: 2391.23, 0.00289219/step, 3.35366 hours remaining, 207.601562 MB of memory in use. ENERGY: 825600 776.8573 2067.8465 1923.0911 111.5154 -205829.3811 17692.4389 0.0000 0.0000 34120.3717 -149137.2603 297.9817 -183257.6320 -149038.8232 299.1586 -222.7433 -190.2892 557729.0210 1.2013 1.1804 PRESSURE: 825800 36.7897 -25.7514 -230.516 -25.751 -203.854 71.4637 -230.515 71.4642 -399.208 GPRESSURE: 825800 -3.73226 -32.3216 -114.388 -106.333 -175.149 33.8071 -213.566 98.3881 -285.622 PRESSAVG: 825800 18.0989 25.5264 -3.29154 25.5265 -6.93203 42.319 -3.29145 42.319 6.26398 GPRESSAVG: 825800 18.3153 26.8706 -1.79112 24.6406 -7.76051 43.0346 -4.42147 42.7741 7.49145 TIMING: 825800 CPU: 2391.81, 0.00287469/step Wall: 2391.81, 0.00287469/step, 3.3332 hours remaining, 207.601562 MB of memory in use. ENERGY: 825800 760.8224 2115.3984 1950.7969 102.3798 -206178.0781 17721.8452 0.0000 0.0000 34449.9145 -149076.9210 300.8597 -183526.8355 -148985.4549 299.8611 -188.7574 -154.8342 558600.3269 5.8103 6.0154 PRESSURE: 826000 112.296 71.3499 -24.4513 71.3503 103.43 89.069 -24.4512 89.0693 72.3825 GPRESSURE: 826000 200.051 74.0657 -61.7672 31.2819 44.6496 129.545 20.3222 -31.0548 126.359 PRESSAVG: 826000 32.9412 -51.2176 27.0205 -51.2177 -35.5102 40.7217 27.0206 40.7218 0.0268705 GPRESSAVG: 826000 33.0303 -51.3131 23.8661 -51.6247 -35.4347 41.6768 28.1637 37.6915 -0.423333 TIMING: 826000 CPU: 2392.39, 0.00288542/step Wall: 2392.39, 0.00288542/step, 3.34548 hours remaining, 207.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 826000 750.4194 2113.0580 1918.7690 111.0377 -206395.3881 18042.5997 0.0000 0.0000 34365.1227 -149094.3816 300.1192 -183459.5043 -148990.6383 299.4732 96.0362 123.6866 557401.6921 -0.8474 -0.9426 PRESSURE: 826200 -306.514 10.883 203.712 10.8838 -251.931 97.6299 203.713 97.6293 -142.593 GPRESSURE: 826200 -283.157 95.5769 259.585 7.40565 -220.63 -2.16802 213.843 77.4905 -93.3397 PRESSAVG: 826200 -1.09763 48.1699 -12.767 48.1698 22.6849 -16.8216 -12.7669 -16.8215 -16.0696 GPRESSAVG: 826200 -1.43301 47.8385 -10.3187 49.5361 23.2997 -17.6931 -14.8963 -12.8786 -15.7515 TIMING: 826200 CPU: 2392.97, 0.00289985/step Wall: 2392.97, 0.00289985/step, 3.36206 hours remaining, 207.601562 MB of memory in use. ENERGY: 826200 732.9168 2118.3489 1924.2756 112.6537 -205746.6013 17635.9731 0.0000 0.0000 34126.7607 -149095.6726 298.0375 -183222.4333 -148998.4276 300.0505 -233.6794 -199.0423 559148.1043 1.8392 2.0384 PRESSURE: 826400 58.6829 87.806 -97.5728 87.8053 -138.581 115.561 -97.5722 115.561 -104.374 GPRESSURE: 826400 139.335 59.3099 -117.595 153.721 -124.927 13.3111 -32.5876 217.431 -100.284 PRESSAVG: 826400 11.6364 22.594 51.8228 22.5941 -29.3539 40.8316 51.8228 40.8317 32.5112 GPRESSAVG: 826400 12.4074 22.7233 48.3325 21.2186 -29.8945 39.8399 54.3232 38.1638 31.8033 TIMING: 826400 CPU: 2393.54, 0.0028597/step Wall: 2393.54, 0.0028597/step, 3.31535 hours remaining, 207.601562 MB of memory in use. ENERGY: 826400 745.1738 2155.0369 1926.0247 112.9063 -205662.0736 17597.1241 0.0000 0.0000 33866.0952 -149259.7126 295.7610 -183125.8078 -149162.1417 299.3517 -61.4241 -28.6254 558958.8385 4.9312 4.7721 PRESSURE: 826600 194.244 94.5057 15.1415 94.5055 95.4532 -204.598 15.1414 -204.598 95.2791 GPRESSURE: 826600 178.654 46.7685 -20.5269 157.407 183.075 -174.157 55.0415 -218.594 122.091 PRESSAVG: 826600 33.0665 -11.8501 -32.8528 -11.8502 -53.0169 -5.13079 -32.8528 -5.13086 39.2876 GPRESSAVG: 826600 32.6088 -12.8202 -30.4919 -11.1308 -52.0803 -5.26448 -33.6212 -2.77307 38.8001 TIMING: 826600 CPU: 2394.12, 0.0029043/step Wall: 2394.12, 0.0029043/step, 3.36689 hours remaining, 207.601562 MB of memory in use. ENERGY: 826600 715.8049 2050.6300 1950.4026 120.7815 -206371.6064 18091.2536 0.0000 0.0000 34183.1655 -149259.5684 298.5301 -183442.7339 -149163.5181 298.6813 128.3256 161.2734 557846.3816 6.4457 6.4429 PRESSURE: 826800 4.40397 -14.9309 -16.9363 -14.93 86.2636 -137.429 -16.936 -137.429 25.5981 GPRESSURE: 826800 38.4518 -40.6365 14.8759 39.67 118.251 -45.5887 -6.60679 -295.349 42.6854 PRESSAVG: 826800 -15.4317 -1.98542 20.8868 -1.98542 -20.8106 -20.1063 20.8868 -20.1064 31.8391 GPRESSAVG: 826800 -14.6633 -2.81429 18.3952 -0.601824 -21.5907 -20.4462 22.015 -21.358 32.376 TIMING: 826800 CPU: 2394.7, 0.00289847/step Wall: 2394.7, 0.00289847/step, 3.35997 hours remaining, 207.601562 MB of memory in use. ENERGY: 826800 726.7966 2064.2479 1956.1501 107.4630 -206511.8516 17918.9801 0.0000 0.0000 34308.0376 -149430.1763 299.6206 -183738.2139 -149328.8479 299.3151 38.7552 66.4627 555072.3071 -1.4678 -1.2927 PRESSURE: 827000 -60.9977 165.431 -29.2265 165.432 41.0964 -125.138 -29.2265 -125.138 -19.1025 GPRESSURE: 827000 0.467991 172.478 15.3159 172.137 25.9562 -91.9613 -62.3978 -165.349 22.3506 PRESSAVG: 827000 -27.8964 50.4964 4.29743 50.4965 15.3031 -23.6515 4.29749 -23.6514 26.4997 GPRESSAVG: 827000 -27.6603 52.8987 6.14565 48.2868 14.3721 -22.8375 3.40008 -23.9409 26.3419 TIMING: 827000 CPU: 2395.28, 0.00288741/step Wall: 2395.28, 0.00288741/step, 3.34699 hours remaining, 207.601562 MB of memory in use. ENERGY: 827000 740.8380 2064.3927 1945.3472 113.5592 -206184.6592 17774.2642 0.0000 0.0000 34138.1056 -149408.1524 298.1366 -183546.2579 -149309.8901 298.4651 -13.0013 16.2583 556371.5736 4.6355 4.3512 PRESSURE: 827200 -195.823 -18.741 -133.81 -18.7422 -54.5284 19.7582 -133.81 19.7574 -240.738 GPRESSURE: 827200 -214.966 -123.619 -149.275 30.2593 -0.568595 134.876 -122.142 1.32488 -166.831 PRESSAVG: 827200 21.2313 -6.88269 28.2758 -6.88265 -40.1262 -18.2477 28.2757 -18.2476 26.415 GPRESSAVG: 827200 19.8855 -8.4659 28.139 -6.65339 -39.0399 -18.5921 28.2244 -16.9097 26.6056 TIMING: 827200 CPU: 2395.85, 0.00288703/step Wall: 2395.85, 0.00288703/step, 3.34639 hours remaining, 207.601562 MB of memory in use. ENERGY: 827200 783.5387 2082.9530 1945.6144 104.0745 -206145.0325 17747.4739 0.0000 0.0000 34243.2396 -149238.1385 299.0547 -183481.3781 -149149.4861 298.9621 -163.6962 -127.4554 557628.6259 2.5067 2.4837 PRESSURE: 827400 16.6904 27.4726 65.6348 27.4729 119.231 3.78815 65.6335 3.78769 198.951 GPRESSURE: 827400 2.30082 -35.8854 67.9853 78.7167 180.043 -41.5492 25.2948 -22.9432 245.778 PRESSAVG: 827400 15.6418 -5.91369 -18.1727 -5.91363 -89.5709 -15.7084 -18.1728 -15.7084 52.269 GPRESSAVG: 827400 15.5433 -4.63226 -18.0975 -4.10386 -90.0649 -13.9005 -18.054 -16.0284 53.1694 TIMING: 827400 CPU: 2396.43, 0.00290496/step Wall: 2396.43, 0.00290496/step, 3.36701 hours remaining, 207.601562 MB of memory in use. ENERGY: 827400 719.7838 2072.9321 1940.1367 131.7058 -206117.9657 17895.3675 0.0000 0.0000 34105.6237 -149252.4161 297.8529 -183358.0398 -149153.2777 299.0571 111.6242 142.7074 557936.8888 -7.2200 -7.1174 PRESSURE: 827600 36.5087 -105.029 123.816 -105.028 -247.944 -28.3055 123.817 -28.3058 -346.494 GPRESSURE: 827600 62.0408 -28.2753 114.39 -144.577 -212.527 -19.2157 107.193 -19.6673 -308.499 PRESSAVG: 827600 29.2844 -37.6515 -3.76561 -37.6514 -56.2851 -28.8793 -3.76567 -28.8793 -5.00174 GPRESSAVG: 827600 30.7685 -37.4153 -4.50598 -39.1268 -57.0464 -30.2596 -3.08564 -27.7596 -4.47713 TIMING: 827600 CPU: 2397.02, 0.0029126/step Wall: 2397.02, 0.0029126/step, 3.37571 hours remaining, 207.601562 MB of memory in use. ENERGY: 827600 734.7654 2132.0005 1934.4387 114.9255 -206024.1368 17748.2311 0.0000 0.0000 34127.6620 -149232.1137 298.0454 -183359.7756 -149143.5860 298.8278 -185.9766 -152.9951 559662.9336 -10.6675 -10.2517 PRESSURE: 827800 244.199 64.8351 44.7054 64.835 -117.422 105.438 44.7044 105.437 126.902 GPRESSURE: 827800 242.274 32.8111 66.7742 6.90396 -70.8176 161.444 52.0596 83.7362 168.805 PRESSAVG: 827800 7.95699 -23.422 32.9395 -23.422 -12.244 -6.81914 32.9394 -6.81912 57.5867 GPRESSAVG: 827800 7.9713 -24.0505 32.1192 -22.0559 -12.0551 -6.8637 33.9494 -8.82476 57.089 TIMING: 827800 CPU: 2397.6, 0.00293436/step Wall: 2397.6, 0.00293436/step, 3.40076 hours remaining, 207.601562 MB of memory in use. ENERGY: 827800 707.9448 2096.7681 1922.2086 117.1745 -206573.4904 18041.3180 0.0000 0.0000 34356.1251 -149331.9513 300.0406 -183688.0764 -149228.6652 298.8088 84.5597 113.4205 557609.2412 17.7666 17.6684 PRESSURE: 828000 -79.3378 -172.027 5.90008 -172.026 197.64 65.6155 5.9006 65.6134 -74.7737 GPRESSURE: 828000 -31.1845 -165.448 28.7684 -93.4204 215.073 29.7768 44.6109 11.3364 -36.4559 PRESSAVG: 828000 82.7325 7.74614 75.4954 7.7461 -35.5733 3.22294 75.4954 3.22279 -12.3486 GPRESSAVG: 828000 81.7481 8.66756 76.5982 8.25187 -34.5432 2.27099 74.007 3.66587 -12.7359 TIMING: 828000 CPU: 2398.19, 0.00295247/step Wall: 2398.19, 0.00295247/step, 3.42158 hours remaining, 207.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 828000 765.7968 2069.8119 1938.7833 110.7449 -205983.5069 17773.5523 0.0000 0.0000 34168.8431 -149155.9746 298.4050 -183324.8177 -149056.5517 299.6101 14.5096 49.1444 557396.9325 11.6035 11.4896 PRESSURE: 828200 -123.717 -92.8716 200.501 -92.8716 -24.7135 -97.6726 200.5 -97.6738 65.2432 GPRESSURE: 828200 -72.746 -103.693 191.957 -178.996 -33.315 -89.191 219.577 -47.8896 132.936 PRESSAVG: 828200 2.66879 15.5832 26.4586 15.5831 -20.0841 -61.7559 26.4584 -61.7558 16.6984 GPRESSAVG: 828200 4.36623 15.0849 27.049 14.3008 -20.2596 -61.2788 26.6365 -59.8451 16.1136 TIMING: 828200 CPU: 2398.78, 0.00292457/step Wall: 2398.78, 0.00292457/step, 3.38908 hours remaining, 207.601562 MB of memory in use. ENERGY: 828200 740.2259 2082.8129 1948.6325 113.0293 -205624.6945 17616.0575 0.0000 0.0000 34118.0598 -149005.8766 297.9615 -183123.9363 -148919.7860 299.3338 -27.7289 8.9584 558578.1957 -0.2390 0.0734 LDB: ============= START OF LOAD BALANCING ============== 2402.17 LDB: ============== END OF LOAD BALANCING =============== 2402.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2402.17 LDB: ============= START OF LOAD BALANCING ============== 2402.46 LDB: Largest compute 4820 load 0.027604 is 23.4% of average load 0.117890 LDB: Average compute 0.001712 is 1.5% of average load 0.117890 LDB: TIME 2402.46 LOAD: AVG 0.11789 MAX 0.189936 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.441 MB LDB: TIME 2402.46 LOAD: AVG 0.11789 MAX 0.189936 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.441 MB LDB: TIME 2402.46 LOAD: AVG 0.11789 MAX 0.189936 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2402.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2402.47 PRESSURE: 828400 102.053 -134.473 133.97 -134.473 -67.3597 37.1304 133.97 37.13 333.058 GPRESSURE: 828400 128.444 -168.018 117.872 -91.463 19.3301 16.8409 117.361 114.241 324.465 PRESSAVG: 828400 16.5829 2.93791 8.51321 2.93799 -28.8863 26.429 8.51313 26.429 2.58289 GPRESSAVG: 828400 15.4553 3.58278 8.77462 3.04067 -29.42 25.1672 7.71636 25.8745 4.80087 TIMING: 828400 CPU: 2399.37, 0.00297667/step Wall: 2399.37, 0.00297667/step, 3.44929 hours remaining, 206.761719 MB of memory in use. ENERGY: 828400 722.8139 2089.3768 1942.2090 113.4657 -206382.7308 17939.8522 0.0000 0.0000 34582.5975 -148992.4157 302.0184 -183575.0133 -148892.4720 300.0447 122.5836 157.4131 557962.6524 -3.2402 -3.0546 PRESSURE: 828600 275.326 -4.51753 -28.1735 -4.51749 111.637 88.5674 -28.1731 88.5664 327.486 GPRESSURE: 828600 358.044 -5.97329 -20.0975 40.9686 128.97 83.5714 -45.9297 142.05 320.457 PRESSAVG: 828600 39.0316 -28.8457 -52.9061 -28.8456 -11.6876 -27.2494 -52.9059 -27.2494 23.8003 GPRESSAVG: 828600 39.8926 -31.0406 -54.6102 -26.7375 -11.9311 -27.2247 -51.9209 -27.3108 23.2212 TIMING: 828600 CPU: 2399.96, 0.00291648/step Wall: 2399.96, 0.00291648/step, 3.37939 hours remaining, 206.761719 MB of memory in use. ENERGY: 828600 738.7931 2085.2987 1921.6050 113.1676 -206096.4238 18009.1754 0.0000 0.0000 34149.0966 -149079.2874 298.2326 -183228.3840 -148987.6431 299.5215 238.1498 269.1571 557652.7058 17.0481 17.0609 PRESSURE: 828800 271.502 -5.61328 -80.6223 -5.61272 45.5423 120.376 -80.6232 120.374 167.243 GPRESSURE: 828800 367.068 -93.5214 53.5041 56.4398 37.7116 131.248 -159.108 128.199 182.876 PRESSAVG: 828800 34.0643 7.12779 -38.2177 7.12784 -92.9766 55.1236 -38.2176 55.1236 35.2836 GPRESSAVG: 828800 33.8163 7.5239 -37.0856 6.70387 -92.1039 56.8652 -38.3612 53.5544 34.7539 TIMING: 828800 CPU: 2400.54, 0.00291773/step Wall: 2400.54, 0.00291773/step, 3.38068 hours remaining, 206.761719 MB of memory in use. ENERGY: 828800 739.5618 2013.1811 1950.6322 115.9257 -206154.9977 17957.5817 0.0000 0.0000 34076.2956 -149301.8196 297.5968 -183378.1152 -149202.2698 299.1672 161.4290 195.8852 556317.5078 -7.8763 -7.8446 PRESSURE: 829000 207.799 24.5617 114.211 24.5622 -85.7302 38.9033 114.21 38.9031 8.85992 GPRESSURE: 829000 261.48 58.691 89.0344 -22.1518 -85.6252 32.4351 87.543 57.278 64.755 PRESSAVG: 829000 10.4978 20.5552 -1.12073 20.5552 -24.8857 15.8898 -1.12069 15.8897 1.05689 GPRESSAVG: 829000 9.77868 22.5663 -2.40144 19.0235 -24.9798 13.2448 0.582522 18.638 1.47569 TIMING: 829000 CPU: 2401.11, 0.00286661/step Wall: 2401.11, 0.00286661/step, 3.32129 hours remaining, 206.761719 MB of memory in use. ENERGY: 829000 748.6126 2034.9567 1937.6810 123.9805 -206356.6519 17911.5770 0.0000 0.0000 34334.8140 -149265.0300 299.8545 -183599.8440 -149167.5399 298.8400 43.6429 80.2034 557771.1677 -4.4437 -4.5751 PRESSURE: 829200 153.162 -13.6358 -70.7965 -13.6371 -147.126 -90.9605 -70.796 -90.9594 -125.382 GPRESSURE: 829200 82.1246 -113.459 -114.026 -77.2959 -105.411 -51.2177 -43.7323 -131.66 10.3063 PRESSAVG: 829200 -4.16315 27.6054 -10.4069 27.6055 89.5963 -31.8934 -10.4069 -31.8935 -56.7157 GPRESSAVG: 829200 -4.54442 26.0077 -9.26132 29.4631 89.6624 -29.3504 -11.5034 -35.2582 -56.4372 TIMING: 829200 CPU: 2401.69, 0.0028788/step Wall: 2401.69, 0.0028788/step, 3.33525 hours remaining, 206.761719 MB of memory in use. ENERGY: 829200 717.3719 2050.2920 1928.2486 117.7791 -206150.4009 17678.8949 0.0000 0.0000 34235.3247 -149422.4897 298.9856 -183657.8144 -149323.3367 298.5498 -39.7821 -4.3267 557541.7834 9.5725 9.5603 PRESSURE: 829400 -276.902 14.5598 -42.3151 14.5603 -58.9748 -14.2478 -42.3158 -14.2469 1.31791 GPRESSURE: 829400 -224.586 12.4364 -87.7243 43.9386 -46.9416 -23.7702 -18.5426 3.94592 44.0283 PRESSAVG: 829400 39.8528 26.9507 -3.80315 26.9507 -11.4605 -7.70048 -3.80315 -7.7005 -7.65733 GPRESSAVG: 829400 41.1178 27.2175 -3.93813 24.8581 -12.2225 -7.81284 -4.32104 -5.35242 -8.49932 TIMING: 829400 CPU: 2402.26, 0.00287418/step Wall: 2402.26, 0.00287418/step, 3.32974 hours remaining, 206.761719 MB of memory in use. ENERGY: 829400 735.3303 2060.3694 1916.2895 103.6205 -205859.7208 17575.0856 0.0000 0.0000 34139.6340 -149329.3916 298.1499 -183469.0256 -149236.8538 299.1264 -111.5198 -75.8331 557154.3207 6.9117 6.7987 PRESSURE: 829600 -99.0056 40.1744 -14.2119 40.173 -189.078 10.5353 -14.2112 10.5355 70.9016 GPRESSURE: 829600 -96.3693 -28.3152 -30.9745 104.946 -151.175 27.9148 -30.5339 -82.6898 119.37 PRESSAVG: 829600 -47.7075 40.0353 -21.5561 40.0354 -2.82086 -48.94 -21.5562 -48.9401 36.2401 GPRESSAVG: 829600 -47.9418 40.4232 -20.7434 41.122 -2.88743 -48.6856 -21.0353 -50.9161 36.5141 TIMING: 829600 CPU: 2402.85, 0.00290595/step Wall: 2402.85, 0.00290595/step, 3.36638 hours remaining, 206.761719 MB of memory in use. ENERGY: 829600 757.4072 2067.0472 1915.4535 104.4454 -206236.5911 17827.6329 0.0000 0.0000 34502.3716 -149062.2332 301.3178 -183564.6049 -148964.3737 299.7172 -72.3942 -42.7247 557252.9781 -4.7628 -4.7717 PRESSURE: 829800 280.086 30.4737 228.402 30.4731 -212.399 -108.036 228.401 -108.034 40.1325 GPRESSURE: 829800 322.262 58.3368 247.061 2.6223 -161.157 -99.4649 223.449 -81.6515 54.1213 PRESSAVG: 829800 16.6022 33.6415 40.8578 33.6415 -30.1528 -15.236 40.8577 -15.236 58.7893 GPRESSAVG: 829800 16.0081 33.2473 39.7148 33.1858 -29.9102 -15.9679 39.9408 -15.1478 59.7125 TIMING: 829800 CPU: 2403.43, 0.00291095/step Wall: 2403.43, 0.00291095/step, 3.37202 hours remaining, 206.761719 MB of memory in use. ENERGY: 829800 763.3875 2081.8290 1891.0159 108.7143 -206089.0710 17903.5913 0.0000 0.0000 34364.3953 -148976.1377 300.1128 -183340.5330 -148880.7343 300.1042 35.9399 71.7420 557784.5264 15.0796 15.2701 PRESSURE: 830000 -45.4219 109.259 120.515 109.259 -147.426 32.6893 120.515 32.6886 118.621 GPRESSURE: 830000 -48.2483 66.4609 84.8472 131.542 -115.422 113.141 87.0893 -50.6775 177.038 PRESSAVG: 830000 32.2794 40.6934 18.4447 40.6934 -61.1843 -65.4411 18.4448 -65.4412 34.8827 GPRESSAVG: 830000 31.7462 42.175 18.3361 41.2668 -61.4897 -64.9275 18.6693 -63.777 35.8985 TIMING: 830000 CPU: 2404.01, 0.00290583/step Wall: 2404.01, 0.00290583/step, 3.36592 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 830000 731.3261 2098.6473 1954.3199 135.2294 -205842.8145 17562.2709 0.0000 0.0000 34382.8344 -148978.1864 300.2738 -183361.0208 -148875.6296 299.8359 -24.7424 4.4560 558098.9374 1.9926 2.0516 PRESSURE: 830200 -62.1934 26.7086 -122.038 26.709 130 -211.058 -122.039 -211.057 170.49 GPRESSURE: 830200 48.5439 -13.1009 13.5543 110.761 124.912 -162.63 -96.6769 -193.522 180.701 PRESSAVG: 830200 36.0793 29.6236 29.0067 29.6236 -35.5433 -17.2135 29.0068 -17.2135 -0.88014 GPRESSAVG: 830200 36.2412 29.1779 30.5247 29.2872 -34.8932 -16.3368 28.6147 -17.1246 -1.8789 TIMING: 830200 CPU: 2404.59, 0.00288458/step Wall: 2404.59, 0.00288458/step, 3.34115 hours remaining, 206.761719 MB of memory in use. ENERGY: 830200 774.7456 2066.2780 1929.8695 104.4708 -206425.5723 17917.3148 0.0000 0.0000 34585.0046 -149047.8889 302.0394 -183632.8935 -148950.4766 299.6535 79.4324 118.0521 555530.3442 -0.1147 -0.1770 PRESSURE: 830400 103.172 -3.51781 -48.8812 -3.51903 -272.714 -4.09641 -48.8802 -4.09604 25.5344 GPRESSURE: 830400 121.18 -43.5215 18.2136 -41.0194 -235.149 -47.2247 -55.7362 19.0836 69.3984 PRESSAVG: 830400 44.2285 4.84328 -4.91401 4.84334 -69.2693 20.9246 -4.91391 20.9246 52.423 GPRESSAVG: 830400 45.5941 5.40179 -4.99121 4.35032 -69.7126 20.282 -5.34549 19.2253 51.9933 TIMING: 830400 CPU: 2405.16, 0.0028824/step Wall: 2405.16, 0.0028824/step, 3.33846 hours remaining, 206.761719 MB of memory in use. ENERGY: 830400 776.4212 2104.5947 1955.0207 120.9252 -206347.5599 17768.9744 0.0000 0.0000 34451.8767 -149169.7470 300.8768 -183621.6237 -149073.5954 299.6674 -48.0027 -14.8570 557314.2419 9.1274 9.2916 PRESSURE: 830600 -176.984 1.81025 -22.7421 1.80922 -284.377 -81.9418 -22.7426 -81.944 -32.364 GPRESSURE: 830600 -99.8264 -85.6884 12.805 111.565 -280.958 -65.4635 -12.7296 -93.8792 -21.7646 PRESSAVG: 830600 5.9867 25.2713 -49.0339 25.2712 -61.3805 8.27142 -49.0339 8.27158 71.9833 GPRESSAVG: 830600 5.93811 23.8385 -49.8063 24.4748 -62.5569 10.0019 -49.7917 7.58241 72.7596 TIMING: 830600 CPU: 2405.74, 0.00287677/step Wall: 2405.74, 0.00287677/step, 3.33178 hours remaining, 206.761719 MB of memory in use. ENERGY: 830600 755.5285 2137.9347 1952.9761 125.8497 -205943.9296 17577.0075 0.0000 0.0000 34198.9199 -149195.7132 298.6677 -183394.6331 -149098.1016 299.8923 -164.5753 -134.1830 556828.1114 5.5298 5.3803 PRESSURE: 830800 74.2034 -46.1542 96.2707 -46.1533 33.5828 -63.3764 96.2705 -63.3761 -35.1757 GPRESSURE: 830800 76.6465 -68.271 31.8724 6.72057 101.585 -81.1213 99.5388 -72.0334 -0.125314 PRESSAVG: 830800 16.2844 56.9804 -0.0547747 56.9805 -40.4815 34.0961 -0.0546797 34.0962 55.8747 GPRESSAVG: 830800 14.6159 57.0602 2.12488 58.227 -37.0829 31.2812 0.362566 35.3035 53.8182 TIMING: 830800 CPU: 2406.32, 0.00289343/step Wall: 2406.32, 0.00289343/step, 3.35091 hours remaining, 206.761719 MB of memory in use. ENERGY: 830800 776.4712 2127.5288 1937.0615 122.2723 -206188.1389 17733.9215 0.0000 0.0000 34189.2577 -149301.6259 298.5833 -183490.8836 -149206.5861 300.1223 24.2035 59.3688 555882.5217 10.5592 10.4504 PRESSURE: 831000 394.209 9.36069 -208.422 9.36068 86.0472 -68.687 -208.423 -68.6868 560.62 GPRESSURE: 831000 442.089 97.8916 -144.35 -3.92153 131.805 -16.0802 -211.985 -39.6715 563.49 PRESSAVG: 831000 36.1402 16.9953 -59.2008 16.9954 -58.9299 32.0625 -59.2008 32.0625 20.8364 GPRESSAVG: 831000 36.7416 16.9716 -62.5119 17.885 -61.1321 30.6 -56.93 32.955 23.0166 TIMING: 831000 CPU: 2406.9, 0.00291905/step Wall: 2406.9, 0.00291905/step, 3.38042 hours remaining, 206.761719 MB of memory in use. ENERGY: 831000 736.0919 2126.6370 1939.9530 115.7816 -206524.7663 18300.8790 0.0000 0.0000 34111.3453 -149194.0786 297.9029 -183305.4239 -149100.7761 298.8902 346.9585 379.1281 557078.9555 -0.6511 -0.4580 PRESSURE: 831200 255.231 47.8887 122.823 47.8887 -248.1 -64.2454 122.824 -64.2452 17.7644 GPRESSURE: 831200 232.33 -17.4208 64.7621 122.778 -267.764 -83.322 149.477 -138.94 146.067 PRESSAVG: 831200 -33.0901 15.404 -24.943 15.4041 4.36039 -2.95854 -24.9431 -2.95848 38.13 GPRESSAVG: 831200 -33.1017 16.4879 -24.5513 15.5621 4.91551 -0.615942 -25.3866 -3.08661 37.2865 TIMING: 831200 CPU: 2407.48, 0.00290804/step Wall: 2407.48, 0.00290804/step, 3.36751 hours remaining, 206.761719 MB of memory in use. ENERGY: 831200 758.0494 2149.5870 1956.1555 125.5815 -206145.7347 17815.9399 0.0000 0.0000 34238.8186 -149101.6028 299.0161 -183340.4214 -149013.1108 299.4474 8.2984 36.8774 558101.1052 3.1334 3.0334 PRESSURE: 831400 -223.501 18.4039 -149.996 18.4044 -210.083 -25.056 -149.995 -25.0563 -242.085 GPRESSURE: 831400 -194.332 19.8999 -72.4271 48.1723 -171.694 -78.2532 -117.147 -48.1986 -211.175 PRESSAVG: 831400 20.6074 -23.6999 -15.3925 -23.6999 -71.1578 10.5109 -15.3924 10.5108 75.3601 GPRESSAVG: 831400 21.1204 -22.8924 -15.0127 -24.3256 -70.8754 12.9264 -16.4703 8.33542 74.7704 TIMING: 831400 CPU: 2408.06, 0.00290265/step Wall: 2408.06, 0.00290265/step, 3.36111 hours remaining, 206.761719 MB of memory in use. ENERGY: 831400 784.5267 2091.1812 1945.5193 110.0489 -206088.6631 17592.2407 0.0000 0.0000 34392.8888 -149172.2576 300.3617 -183565.1464 -149076.0671 299.9404 -225.2228 -192.4004 557727.2248 8.2699 8.3385 PRESSURE: 831600 -343.287 93.1671 65.0727 93.1673 -82.5405 -43.7839 65.0725 -43.7815 -155.618 GPRESSURE: 831600 -297.743 23.2682 96.0741 147.739 -80.379 -107.132 145.853 -24.1457 -98.3333 PRESSAVG: 831600 -37.1582 46.8391 35.3569 46.8391 22.6833 29.5843 35.357 29.5844 5.14589 GPRESSAVG: 831600 -36.4922 45.1985 34.3009 47.146 23.1831 28.9749 36.2213 30 4.12919 TIMING: 831600 CPU: 2408.64, 0.00287851/step Wall: 2408.64, 0.00287851/step, 3.333 hours remaining, 206.761719 MB of memory in use. ENERGY: 831600 770.9926 2178.6248 1959.6606 115.0284 -205900.1360 17679.6259 0.0000 0.0000 34033.0127 -149163.1909 297.2188 -183196.2036 -149071.5444 299.4119 -193.8149 -158.8185 558030.0537 -3.1097 -3.0600 PRESSURE: 831800 190.033 -191.309 -30.4066 -191.308 161.793 23.2678 -30.4058 23.2678 274.982 GPRESSURE: 831800 192.269 -175.861 19.3299 -231.455 206.641 -4.77024 17.1077 8.54289 325.177 PRESSAVG: 831800 9.33493 -5.73303 35.965 -5.73295 48.3927 67.0551 35.965 67.0551 -51.108 GPRESSAVG: 831800 8.31235 -4.04929 38.8051 -7.7447 48.2283 65.5486 33.7275 68.2637 -49.2728 TIMING: 831800 CPU: 2409.22, 0.00289358/step Wall: 2409.22, 0.00289358/step, 3.35029 hours remaining, 206.761719 MB of memory in use. ENERGY: 831800 705.8358 2153.8389 1933.2528 109.7959 -206639.2218 18164.9628 0.0000 0.0000 34278.8771 -149292.6584 299.3660 -183571.5355 -149197.4951 299.7348 208.9360 241.3623 555389.4457 2.2065 2.4226 PRESSURE: 832000 -67.0483 -68.0493 40.4419 -68.0496 149.367 5.48013 40.4419 5.4793 -111.344 GPRESSURE: 832000 -43.0749 -68.8842 59.3353 -37.8926 132.631 -72.6213 -4.10946 -37.7077 -30.6965 PRESSAVG: 832000 0.972159 8.96603 28.6626 8.96598 82.7143 -41.8129 28.6626 -41.8128 -76.7019 GPRESSAVG: 832000 0.721819 8.03087 26.7203 8.85782 83.1329 -39.9593 28.0517 -43.0526 -77.1419 TIMING: 832000 CPU: 2409.8, 0.00289862/step Wall: 2409.8, 0.00289862/step, 3.35595 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 832000 730.9330 2083.9624 1923.7026 107.5228 -206376.1909 18013.5191 0.0000 0.0000 34241.2564 -149275.2946 299.0374 -183516.5510 -149178.4963 299.7316 -9.6750 19.6200 556821.3001 2.3282 2.2376 PRESSURE: 832200 -207.2 89.5129 40.8192 89.5133 -33.1803 -68.1986 40.8189 -68.1985 -174.969 GPRESSURE: 832200 -174.246 64.932 5.16624 105.883 -33.6203 15.3735 56.1923 -129.129 -94.54 PRESSAVG: 832200 -43.9889 -25.5773 -3.51665 -25.5774 26.5169 -65.5318 -3.51659 -65.5318 -2.89927 GPRESSAVG: 832200 -42.9587 -24.992 -3.50674 -27.3943 26.3063 -65.5964 -1.94914 -66.2477 -3.01136 TIMING: 832200 CPU: 2410.37, 0.00288736/step Wall: 2410.37, 0.00288736/step, 3.34276 hours remaining, 206.761719 MB of memory in use. ENERGY: 832200 734.3075 2113.7537 1922.5323 110.5941 -206202.6104 17701.8575 0.0000 0.0000 34186.3892 -149433.1761 298.5582 -183619.5653 -149337.8854 298.9864 -138.4496 -100.8021 557699.8133 -6.7904 -6.5546 LDB: ============= START OF LOAD BALANCING ============== 2413.76 LDB: ============== END OF LOAD BALANCING =============== 2413.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2413.76 LDB: ============= START OF LOAD BALANCING ============== 2414.05 LDB: Largest compute 4820 load 0.025846 is 21.9% of average load 0.117904 LDB: Average compute 0.001726 is 1.5% of average load 0.117904 LDB: TIME 2414.05 LOAD: AVG 0.117904 MAX 0.189174 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.531 MB LDB: TIME 2414.05 LOAD: AVG 0.117904 MAX 0.189174 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: TIME 2414.05 LOAD: AVG 0.117904 MAX 0.189174 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2414.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2414.06 PRESSURE: 832400 152.395 -2.25221 -161.737 -2.25349 205.762 61.3152 -161.738 61.3146 195.399 GPRESSURE: 832400 159.118 29.1008 -105.202 -58.5692 223.942 54.8573 -189.579 106.041 255.055 PRESSAVG: 832400 46.4505 -18.7036 9.99975 -18.7036 10.102 9.41327 9.9997 9.41323 -55.8443 GPRESSAVG: 832400 47.1134 -17.2802 9.09279 -18.7887 8.25724 9.65221 10.197 9.50772 -54.7583 TIMING: 832400 CPU: 2410.97, 0.0029546/step Wall: 2410.97, 0.0029546/step, 3.42045 hours remaining, 207.261719 MB of memory in use. ENERGY: 832400 710.4646 2066.0597 1929.9852 113.6355 -206368.6959 18059.7740 0.0000 0.0000 34160.5819 -149328.1950 298.3329 -183488.7768 -149232.6338 298.4150 184.5187 212.7048 556673.8982 0.2361 0.2041 PRESSURE: 832600 126.06 -19.5614 92.3651 -19.5598 181.581 171.57 92.3642 171.57 -194.362 GPRESSURE: 832600 193.822 -29.4862 32.957 -4.73137 178.909 204.269 -10.2101 118.665 -151.9 PRESSAVG: 832600 44.7006 -11.9414 -42.995 -11.9414 0.72796 40.5338 -42.9951 40.5338 -32.3982 GPRESSAVG: 832600 44.8101 -13.1604 -41.5892 -8.14755 1.37008 40.2386 -44.041 41.6309 -33.177 TIMING: 832600 CPU: 2411.54, 0.0028833/step Wall: 2411.54, 0.0028833/step, 3.33774 hours remaining, 207.261719 MB of memory in use. ENERGY: 832600 750.3874 2146.6472 1915.6295 115.7662 -206265.7139 17897.2606 0.0000 0.0000 34175.4751 -149264.5479 298.4629 -183440.0230 -149178.1814 298.8204 37.7599 73.6101 556102.5170 4.3435 4.3344 PRESSURE: 832800 85.1121 -345.383 -106.654 -345.382 -15.5018 70.0334 -106.654 70.0342 -1.98608 GPRESSURE: 832800 125.704 -294.346 -110.008 -305.333 -13.143 20.1401 -83.1184 40.5338 54.8584 PRESSAVG: 832800 -2.8454 -38.0388 -33.1261 -38.0387 36.3723 -0.400534 -33.1261 -0.400665 -32.922 GPRESSAVG: 832800 -3.54332 -40.0065 -33.4685 -38.2333 37.9218 -3.17362 -33.1269 1.86685 -34.1737 TIMING: 832800 CPU: 2412.12, 0.00289496/step Wall: 2412.12, 0.00289496/step, 3.35107 hours remaining, 207.261719 MB of memory in use. ENERGY: 832800 728.9543 2079.9305 1949.2310 105.7058 -206623.9996 17954.2550 0.0000 0.0000 34366.4964 -149439.4266 300.1312 -183805.9231 -149342.8604 299.3930 22.5414 55.8065 556402.9884 0.2016 0.0682 PRESSURE: 833000 34.7745 -54.2828 -56.7556 -54.2835 -217.868 100.763 -56.7541 100.761 -213.972 GPRESSURE: 833000 69.6806 -142.734 13.8914 15.8331 -194.587 114.957 -67.593 106.939 -181.148 PRESSAVG: 833000 26.8854 -8.36584 -55.834 -8.3659 -47.8788 9.88365 -55.834 9.88367 15.138 GPRESSAVG: 833000 27.3672 -8.34991 -55.5512 -9.90795 -48.7506 12.251 -56.4172 7.48363 15.3987 TIMING: 833000 CPU: 2412.7, 0.00289875/step Wall: 2412.7, 0.00289875/step, 3.3553 hours remaining, 207.261719 MB of memory in use. ENERGY: 833000 747.9728 2139.5506 1936.3268 113.4100 -206392.4102 17720.6813 0.0000 0.0000 34240.3997 -149494.0691 299.0299 -183734.4687 -149393.6997 298.5228 -132.3551 -102.0181 556943.8194 -1.9518 -1.9949 PRESSURE: 833200 21.8558 -92.4111 -122.489 -92.412 -15.08 52.9791 -122.491 52.9792 -74.9806 GPRESSURE: 833200 53.7927 -93.8699 -190.981 -135.276 15.0041 72.7458 -105.51 56.9752 -38.9811 PRESSAVG: 833200 36.2404 -4.38732 28.2662 -4.38724 -62.7614 44.1567 28.2662 44.1566 52.1129 GPRESSAVG: 833200 35.6648 -4.19581 26.2145 -4.4269 -62.6341 44.0232 31.8443 45.1611 52.5644 TIMING: 833200 CPU: 2413.28, 0.00289115/step Wall: 2413.28, 0.00289115/step, 3.34634 hours remaining, 207.261719 MB of memory in use. ENERGY: 833200 741.9820 2121.2834 1919.0662 114.2293 -206388.0425 17914.4685 0.0000 0.0000 34303.9007 -149273.1123 299.5845 -183577.0130 -149172.3061 299.0664 -22.7349 9.9386 557074.9318 8.5307 8.5317 PRESSURE: 833400 -248.137 129.034 -10.2312 129.033 1.78195 -30.4959 -10.2307 -30.4956 -149.877 GPRESSURE: 833400 -164.827 253.337 170.127 75.599 41.2025 -13.5762 -59.1078 -86.0942 -174.747 PRESSAVG: 833400 -25.981 7.33409 61.8039 7.33407 -9.92683 -10.2484 61.8039 -10.2484 -4.28702 GPRESSAVG: 833400 -25.4898 7.67534 64.2703 7.13121 -10.2983 -9.2564 56.315 -10.6858 -4.4901 TIMING: 833400 CPU: 2413.86, 0.00288317/step Wall: 2413.86, 0.00288318/step, 3.33695 hours remaining, 207.261719 MB of memory in use. ENERGY: 833400 749.5465 2121.4308 1930.0416 119.5382 -206149.2012 17649.9128 0.0000 0.0000 34192.4718 -149386.2594 298.6114 -183578.7312 -149290.9255 299.2924 -132.0774 -99.4569 556966.1619 -13.3983 -13.4261 PRESSURE: 833600 -30.4932 224.809 -71.2671 224.809 180.435 40.8609 -71.2675 40.8623 71.0916 GPRESSURE: 833600 14.913 193.876 -109.812 192.674 190.554 121.792 -32.2435 52.6167 109.212 PRESSAVG: 833600 -9.12302 17.1127 -10.3267 17.1127 8.21273 -41.6192 -10.3267 -41.6191 -9.02413 GPRESSAVG: 833600 -9.0284 16.6137 -12.4384 18.8239 8.1932 -42.6784 -5.49513 -41.3918 -9.09728 TIMING: 833600 CPU: 2414.43, 0.00286631/step Wall: 2414.43, 0.00286631/step, 3.31728 hours remaining, 207.261719 MB of memory in use. ENERGY: 833600 773.5040 2068.2810 1946.3583 119.1279 -206406.9703 17988.6641 0.0000 0.0000 34261.0068 -149250.0283 299.2099 -183511.0350 -149153.7797 299.0446 73.6776 104.8930 557825.7673 -3.3115 -3.3108 PRESSURE: 833800 -81.3936 -29.0057 11.5521 -29.0049 -37.2556 26.9728 11.5512 26.9721 -142.849 GPRESSURE: 833800 -32.5406 25.3727 -8.59124 7.2442 -5.10468 0.610934 22.795 -30.6785 -124.163 PRESSAVG: 833800 28.6847 29.3444 22.2602 29.3445 -33.412 16.0431 22.2603 16.0432 19.633 GPRESSAVG: 833800 29.7643 31.4422 25.5615 27.743 -34.5293 15.5163 19.4947 14.6259 19.9873 TIMING: 833800 CPU: 2415, 0.00286741/step Wall: 2415, 0.00286741/step, 3.31839 hours remaining, 207.261719 MB of memory in use. ENERGY: 833800 768.5190 2154.3112 1941.9554 106.1774 -206296.9351 17761.0797 0.0000 0.0000 34286.9783 -149277.9141 299.4367 -183564.8924 -149180.2096 299.8825 -87.1661 -53.9359 557847.2808 4.9686 5.0741 PRESSURE: 834000 106.891 80.6512 -90.0642 80.6525 -26.6642 23.0061 -90.0619 23.0054 -210.894 GPRESSURE: 834000 132.349 119.748 -122.952 115.628 6.75743 -9.58345 -69.9494 52.2713 -180.14 PRESSAVG: 834000 80.3686 17.5504 78.6261 17.5503 15.2657 25.7299 78.6261 25.7299 -75.1558 GPRESSAVG: 834000 80.3719 16.0378 76.0935 18.7723 15.8142 26.1049 79.5923 27.2832 -75.9522 TIMING: 834000 CPU: 2415.57, 0.0028636/step Wall: 2415.57, 0.0028636/step, 3.31382 hours remaining, 207.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 834000 713.8274 2090.9019 1948.9860 113.6957 -206411.1481 17845.6769 0.0000 0.0000 34272.8329 -149425.2272 299.3132 -183698.0602 -149329.5194 299.2637 -43.5560 -13.6778 558973.2796 6.8262 6.7446 PRESSURE: 834200 9.78827 45.1736 -173.219 45.1737 -121.849 -144.382 -173.22 -144.382 49.5098 GPRESSURE: 834200 38.5085 61.9462 -143.409 33.5562 -44.1318 -139.82 -116.559 -113.539 49.6159 PRESSAVG: 834200 33.9275 45.704 10.6387 45.704 27.492 25.2462 10.6387 25.2462 -7.22918 GPRESSAVG: 834200 32.6631 46.652 13.1524 46.7127 27.856 25.0103 8.02164 24.2029 -6.40368 TIMING: 834200 CPU: 2416.15, 0.00287202/step Wall: 2416.15, 0.00287202/step, 3.32341 hours remaining, 207.261719 MB of memory in use. ENERGY: 834200 744.1180 2076.9795 1933.4677 114.6669 -206411.5109 17866.0724 0.0000 0.0000 34298.3797 -149377.8265 299.5363 -183676.2062 -149277.8400 299.7385 -20.8503 14.6642 557346.3691 18.0634 18.0385 PRESSURE: 834400 23.0704 31.8208 -238.781 31.821 -42.7897 -44.202 -238.779 -44.2004 213.629 GPRESSURE: 834400 52.1669 37.9834 -198.301 40.863 -24.1733 -121.585 -207.572 -76.4925 258.111 PRESSAVG: 834400 34.2015 39.8605 -6.3652 39.8604 -0.424468 -34.4989 -6.36519 -34.4989 -20.0633 GPRESSAVG: 834400 32.7425 38.4893 -8.01071 37.5933 0.788882 -35.012 -4.95984 -32.1311 -19.771 TIMING: 834400 CPU: 2416.73, 0.00288667/step Wall: 2416.73, 0.00288667/step, 3.3402 hours remaining, 207.261719 MB of memory in use. ENERGY: 834400 749.5884 2104.7333 1918.6722 126.1124 -206422.3076 17891.2679 0.0000 0.0000 34224.6085 -149407.3249 298.8920 -183631.9334 -149304.5431 298.9651 64.6367 95.3682 557783.7533 4.5713 4.5868 PRESSURE: 834600 -153.864 -71.3352 62.9366 -71.3352 -342.694 -289.988 62.9364 -289.986 -210.977 GPRESSURE: 834600 -112.562 -41.8388 125.423 -103.754 -326.031 -284.017 55.0902 -194.202 -164.529 PRESSAVG: 834600 45.248 13.0166 36.1872 13.0166 5.4908 13.1384 36.1872 13.1384 -58.8673 GPRESSAVG: 834600 46.7062 14.6032 35.8534 13.2469 4.72519 11.6912 35.1198 14.9452 -58.9703 TIMING: 834600 CPU: 2417.3, 0.00288319/step Wall: 2417.3, 0.00288319/step, 3.33601 hours remaining, 207.261719 MB of memory in use. ENERGY: 834600 771.7997 2105.0140 1936.7694 114.4762 -205929.5478 17475.8451 0.0000 0.0000 34152.2461 -149373.3973 298.2601 -183525.6434 -149273.4376 298.8958 -235.8446 -201.0405 558161.0692 -2.7095 -2.5130 PRESSURE: 834800 18.5425 57.9707 2.08639 57.9704 -160.712 -59.4101 2.0869 -59.41 -167.501 GPRESSURE: 834800 60.0655 90.1613 25.1295 89.9359 -140.022 23.2894 5.32139 -116.825 -141.237 PRESSAVG: 834800 38.7922 0.94612 53.3332 0.946073 -3.85367 -10.0555 53.3332 -10.0557 -33.053 GPRESSAVG: 834800 39.2365 0.276183 51.9513 1.03154 -2.72345 -6.97196 54.8407 -13.1704 -33.9067 TIMING: 834800 CPU: 2417.88, 0.00287965/step Wall: 2417.88, 0.00287965/step, 3.33176 hours remaining, 207.261719 MB of memory in use. ENERGY: 834800 746.6086 2122.0142 1941.6390 133.4147 -206144.2350 17647.9522 0.0000 0.0000 34308.9276 -149243.6787 299.6284 -183552.6063 -149145.0241 299.1857 -103.2235 -73.7313 556440.4249 0.6285 0.8688 PRESSURE: 835000 -105.078 -27.9608 33.8535 -27.9622 177.706 88.5978 33.8523 88.6003 7.83833 GPRESSURE: 835000 -43.7069 -38.1176 8.96082 -16.6358 166.702 9.44635 25.6559 -17.7171 46.6601 PRESSAVG: 835000 28.0911 -7.95884 46.1554 -7.95884 13.637 -27.1715 46.1555 -27.1715 -63.2667 GPRESSAVG: 835000 28.3505 -7.26929 46.1874 -7.11283 11.4949 -29.2959 46.8958 -27.2911 -61.8837 TIMING: 835000 CPU: 2418.46, 0.00289311/step Wall: 2418.46, 0.00289311/step, 3.34716 hours remaining, 207.261719 MB of memory in use. ENERGY: 835000 703.0210 2114.5026 1920.9366 117.6952 -206057.2010 17718.1810 0.0000 0.0000 34145.6222 -149337.2424 298.2022 -183482.8646 -149247.4622 298.1116 26.8222 56.5519 557584.0175 -7.1795 -7.3461 PRESSURE: 835200 194.953 53.6039 -108.97 53.6039 31.6538 -12.1478 -108.971 -12.1492 198.999 GPRESSURE: 835200 244.779 97.312 -132.518 50.9576 59.7518 53.8883 -25.4631 -47.7652 224.785 PRESSAVG: 835200 24.9253 38.0425 52.8515 38.0424 -35.7879 -8.5123 52.8516 -8.51245 9.4818 GPRESSAVG: 835200 24.4041 37.1537 53.0841 38.5719 -33.246 -7.16923 53.1275 -10.4282 7.63294 TIMING: 835200 CPU: 2419.04, 0.00289105/step Wall: 2419.04, 0.00289105/step, 3.34462 hours remaining, 207.261719 MB of memory in use. ENERGY: 835200 762.2164 2128.6596 1934.8445 113.9145 -206411.2465 17955.9812 0.0000 0.0000 34405.5187 -149110.1116 300.4720 -183515.6303 -149015.5293 299.1050 141.8686 176.4386 556747.3380 -0.4603 -0.4030 PRESSURE: 835400 -8.24955 -115.235 -56.6128 -115.235 32.679 21.1739 -56.6133 21.1723 -118.993 GPRESSURE: 835400 33.5337 -185.281 -57.0823 -28.9559 131.856 -0.290307 -40.6075 58.6596 -160.793 PRESSAVG: 835400 33.1143 -37.3627 14.6479 -37.3627 -55.6133 -3.51623 14.6481 -3.51628 -14.5036 GPRESSAVG: 835400 33.578 -37.3276 14.309 -38.2327 -55.7042 -5.08589 13.718 -1.44157 -14.6352 TIMING: 835400 CPU: 2419.61, 0.00288648/step Wall: 2419.61, 0.00288648/step, 3.33918 hours remaining, 207.261719 MB of memory in use. ENERGY: 835400 731.3189 2130.8882 1930.6396 114.5169 -205818.3153 17710.0487 0.0000 0.0000 34014.2648 -149186.6383 297.0550 -183200.9030 -149093.1977 299.2339 -31.5210 1.5321 557364.6705 -12.3342 -12.2538 PRESSURE: 835600 123.069 -79.0541 -77.3097 -79.0539 2.39234 86.5096 -77.3091 86.5092 -108.766 GPRESSURE: 835600 155.757 -4.33673 -36.7705 -139.272 80.1123 116.661 -142.033 60.6498 -131.208 PRESSAVG: 835600 31.4942 -19.2262 8.98205 -19.2263 -42.025 -5.1829 8.98203 -5.18289 -16.9801 GPRESSAVG: 835600 30.4558 -17.36 8.65945 -17.2913 -41.8896 -6.05411 9.27334 -5.78145 -15.9991 TIMING: 835600 CPU: 2420.19, 0.00287611/step Wall: 2420.19, 0.00287611/step, 3.32702 hours remaining, 207.261719 MB of memory in use. ENERGY: 835600 732.2639 2129.1788 1945.0306 114.1847 -206070.7944 17766.4396 0.0000 0.0000 34141.3325 -149242.3643 298.1647 -183383.6968 -149144.9739 298.8164 5.5651 34.8868 557338.2136 -9.1703 -9.1443 PRESSURE: 835800 -381.361 132.957 -68.7345 132.957 168.545 -198.819 -68.7338 -198.82 265.213 GPRESSURE: 835800 -361.576 119.837 -3.85818 138.812 183.645 -152.156 -21.4949 -196.651 311.132 PRESSAVG: 835800 -33.728 5.24235 20.4359 5.24227 40.0035 8.02252 20.4359 8.02251 7.56649 GPRESSAVG: 835800 -34.0187 2.84671 18.278 5.34462 38.8657 9.94554 22.1512 8.88034 8.00554 TIMING: 835800 CPU: 2420.77, 0.00290002/step Wall: 2420.77, 0.00290002/step, 3.35452 hours remaining, 207.261719 MB of memory in use. ENERGY: 835800 756.2864 2018.4654 1967.8922 112.4385 -205932.9925 17665.5133 0.0000 0.0000 34387.9474 -149024.4493 300.3185 -183412.3967 -148928.8961 300.3207 17.4657 44.4006 557773.6353 4.6140 4.2842 PRESSURE: 836000 223.672 46.4996 127.42 46.5007 97.8096 34.0052 127.421 34.0063 -347.24 GPRESSURE: 836000 213.174 54.4287 128.372 38.7357 131.277 -41.37 188.815 49.2031 -264.091 PRESSAVG: 836000 -48.3711 -4.70749 -5.36345 -4.70737 48.6183 -29.3082 -5.36352 -29.3082 6.95682 GPRESSAVG: 836000 -47.8645 -5.06639 -2.9691 -4.08364 48.6245 -28.4663 -5.77503 -31.2975 6.5178 TIMING: 836000 CPU: 2421.35, 0.00289391/step Wall: 2421.35, 0.00289391/step, 3.34729 hours remaining, 207.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 836000 759.5547 2059.3321 1945.5079 99.7129 -206085.4628 17926.6867 0.0000 0.0000 34305.7741 -148988.8943 299.6009 -183294.6684 -148892.8334 299.9005 -8.5860 26.7866 558478.8369 2.4013 2.4259 PRESSURE: 836200 -185.683 158.794 -13.7654 158.792 -31.1992 24.8472 -13.7648 24.8473 -85.252 GPRESSURE: 836200 -141.294 150.713 -42.9213 115.879 21.2965 -9.83577 -82.9631 26.9249 -98.0827 PRESSAVG: 836200 20.6802 38.9759 -47.9299 38.976 74.8258 -12.0968 -47.9299 -12.0968 -67.5523 GPRESSAVG: 836200 20.8564 40.5057 -49.5886 37.5948 74.9537 -13.6153 -47.2055 -11.0504 -67.6025 TIMING: 836200 CPU: 2421.93, 0.00290795/step Wall: 2421.93, 0.00290795/step, 3.36337 hours remaining, 207.261719 MB of memory in use. ENERGY: 836200 741.6660 2103.6044 1935.6504 121.2533 -205539.0201 17369.6015 0.0000 0.0000 34273.3158 -148993.9287 299.3174 -183267.2445 -148900.2212 299.9003 -100.7113 -72.6935 556660.9593 9.3179 9.4025 LDB: ============= START OF LOAD BALANCING ============== 2425.32 LDB: ============== END OF LOAD BALANCING =============== 2425.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2425.32 LDB: ============= START OF LOAD BALANCING ============== 2425.61 LDB: Largest compute 4820 load 0.027849 is 23.6% of average load 0.117982 LDB: Average compute 0.001723 is 1.5% of average load 0.117982 LDB: TIME 2425.61 LOAD: AVG 0.117982 MAX 0.189465 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.102 MB LDB: TIME 2425.61 LOAD: AVG 0.117982 MAX 0.189465 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: TIME 2425.61 LOAD: AVG 0.117982 MAX 0.189465 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: ============== END OF LOAD BALANCING =============== 2425.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2425.62 PRESSURE: 836400 118.822 22.0689 28.5032 22.0696 267.769 46.8652 28.503 46.8647 -114.826 GPRESSURE: 836400 141.199 122.592 46.099 41.3588 265.616 -58.6669 -13.1487 99.5696 -50.0141 PRESSAVG: 836400 -9.72535 74.9452 14.4861 74.9452 13.0465 29.4377 14.4861 29.4378 -31.6406 GPRESSAVG: 836400 -10.0438 75.4144 16.319 75.3322 12.4983 29.443 12.9854 29.6181 -31.1922 TIMING: 836400 CPU: 2422.52, 0.00296696/step Wall: 2422.52, 0.00296696/step, 3.43145 hours remaining, 206.816406 MB of memory in use. ENERGY: 836400 707.9517 2171.3026 1925.8375 120.2590 -205667.9090 17642.6920 0.0000 0.0000 34192.7351 -148907.1312 298.6137 -183099.8663 -148808.5258 299.2477 90.5881 118.9336 558121.7678 -9.4398 -9.5792 PRESSURE: 836600 -45.9128 18.8647 388.573 18.865 -97.1235 101.05 388.573 101.051 205.524 GPRESSURE: 836600 -0.383119 40.4425 381.67 -65.5658 -97.3368 172.755 345.96 99.0039 256.619 PRESSAVG: 836600 8.35903 -4.80746 15.0041 -4.80744 -34.7636 -11.962 15.0041 -11.9619 10.0993 GPRESSAVG: 836600 7.21688 -4.53046 16.278 -6.06213 -33.6929 -9.85396 13.5842 -11.5055 10.2817 TIMING: 836600 CPU: 2423.11, 0.00291866/step Wall: 2423.11, 0.00291866/step, 3.37543 hours remaining, 206.816406 MB of memory in use. ENERGY: 836600 760.4990 2091.0268 1973.4563 105.9112 -205786.4492 17711.1412 0.0000 0.0000 34290.6542 -148853.7605 299.4688 -183144.4147 -148767.6754 299.6125 20.8291 52.9662 558082.2076 -5.4351 -5.3981 PRESSURE: 836800 -195.088 -1.27502 18.1817 -1.27573 102.996 159.865 18.1809 159.864 -80.2376 GPRESSURE: 836800 -123.028 -52.3666 14.0547 13.9715 130.95 106.747 -50.3892 188.703 -77.8065 PRESSAVG: 836800 2.81608 26.8639 48.4818 26.8638 -24.0554 -22.6876 48.4818 -22.6876 15.9443 GPRESSAVG: 836800 4.1167 25.5312 45.959 28.7594 -24.7092 -22.7432 48.849 -21.6898 15.3337 TIMING: 836800 CPU: 2423.69, 0.00292082/step Wall: 2423.69, 0.00292082/step, 3.37777 hours remaining, 206.816406 MB of memory in use. ENERGY: 836800 738.1877 2117.4652 1930.8206 115.0734 -206067.9682 17737.7442 0.0000 0.0000 34472.6528 -148956.0243 301.0583 -183428.6771 -148852.9533 300.1390 -57.4434 -23.2950 557575.3833 -1.7650 -1.7529 PRESSURE: 837000 200.388 -117.192 -9.53427 -117.193 -11.1572 15.8565 -9.53388 15.8537 -22.6403 GPRESSURE: 837000 203.307 -60.6207 -58.0427 -188.319 14.254 -47.8331 -105.131 12.4269 54.6485 PRESSAVG: 837000 -42.9149 14.0978 -42.1894 14.0977 42.3725 8.85269 -42.1894 8.85259 20.7328 GPRESSAVG: 837000 -43.8434 16.9454 -43.2244 12.4972 43.017 7.79958 -41.5159 7.57609 21.4592 TIMING: 837000 CPU: 2424.27, 0.00291127/step Wall: 2424.27, 0.00291127/step, 3.36656 hours remaining, 206.816406 MB of memory in use. ENERGY: 837000 741.6222 2074.9462 1940.1463 101.1033 -206225.8635 18043.7933 0.0000 0.0000 34333.1141 -148991.1381 299.8396 -183324.2522 -148899.6529 299.9801 55.5300 90.7365 558754.0753 6.7301 6.8776 PRESSURE: 837200 -134.941 40.9988 -36.1671 40.9994 -137.872 105.803 -36.1677 105.801 -352.092 GPRESSURE: 837200 -102.997 25.3731 -42.3561 -17.5966 -179.166 214.427 -76.2702 -3.5534 -251.439 PRESSAVG: 837200 -36.2533 -26.682 -27.9269 -26.6821 38.2431 29.4304 -27.9269 29.4302 -15.7206 GPRESSAVG: 837200 -35.7444 -28.3877 -26.0169 -27.3667 39.3872 30.2814 -26.8468 30.2151 -17.3844 TIMING: 837200 CPU: 2424.85, 0.00291127/step Wall: 2424.85, 0.00291127/step, 3.36639 hours remaining, 206.816406 MB of memory in use. ENERGY: 837200 763.2511 2107.8374 1955.0087 97.0913 -205618.0941 17420.5542 0.0000 0.0000 34470.2193 -148804.1321 301.0370 -183274.3514 -148712.9001 300.2559 -208.3016 -177.8673 558509.1470 -4.5769 -4.5805 PRESSURE: 837400 76.8373 -30.9376 -110.609 -30.9372 -410.659 112.566 -110.609 112.567 -124.621 GPRESSURE: 837400 82.4279 -47.4978 -72.9852 43.2382 -363.667 82.9124 -143.612 86.3984 -87.768 PRESSAVG: 837400 3.14178 16.2714 -37.3334 16.2715 -7.44782 2.83186 -37.3334 2.83199 21.2294 GPRESSAVG: 837400 2.20464 14.7364 -35.6515 17.1434 -9.39939 1.39592 -40.0463 3.25412 23.3318 TIMING: 837400 CPU: 2425.43, 0.0028833/step Wall: 2425.43, 0.0028833/step, 3.33389 hours remaining, 206.816406 MB of memory in use. ENERGY: 837400 810.6355 2113.3363 1958.7716 110.5302 -205677.2970 17570.5651 0.0000 0.0000 34102.7210 -149010.7372 297.8275 -183113.4582 -148921.0124 300.1873 -152.8140 -123.0025 558273.2834 5.6411 5.3790 PRESSURE: 837600 -13.1819 -46.3263 -50.7681 -46.3269 -308.704 -41.9132 -50.7676 -41.9117 -362.345 GPRESSURE: 837600 1.02058 -11.7588 -9.32397 -83.9825 -212.877 42.9478 -106.571 -88.9689 -384.581 PRESSAVG: 837600 -21.0205 -51.5301 5.84496 -51.5303 -2.81166 0.539556 5.84491 0.539538 37.8398 GPRESSAVG: 837600 -21.5786 -49.6603 3.44897 -52.1491 -0.700552 0.800176 6.1468 0.176565 36.6701 TIMING: 837600 CPU: 2426.01, 0.00291019/step Wall: 2426.01, 0.00291019/step, 3.36482 hours remaining, 206.816406 MB of memory in use. ENERGY: 837600 760.4820 2035.2919 1966.3608 118.2012 -205786.7238 17494.8689 0.0000 0.0000 34437.5637 -148973.9553 300.7518 -183411.5190 -148877.8746 299.5308 -228.0771 -198.8125 558864.7246 4.6692 4.7970 PRESSURE: 837800 -85.5976 13.5777 148.171 13.577 60.2353 130.901 148.171 130.901 -186.069 GPRESSURE: 837800 -24.6001 -44.197 150.214 115.427 66.2424 230.984 166.355 110.791 -149.935 PRESSAVG: 837800 -25.5162 -16.935 3.73468 -16.9349 22.1225 -17.6509 3.73469 -17.6509 -50.0142 GPRESSAVG: 837800 -23.8306 -18.2331 6.31486 -15.4344 19.8116 -17.3761 2.42177 -17.392 -49.03 TIMING: 837800 CPU: 2426.6, 0.00291488/step Wall: 2426.6, 0.00291488/step, 3.37009 hours remaining, 206.816406 MB of memory in use. ENERGY: 837800 741.9144 2142.4440 1952.2024 112.5789 -206022.1886 17631.6564 0.0000 0.0000 34448.6949 -148992.6975 300.8490 -183441.3924 -148899.6192 299.6058 -70.4771 -36.0976 557458.8398 -17.8026 -17.6830 PRESSURE: 838000 -172.589 -17.9396 -138.915 -17.9397 -272.243 -70.5459 -138.915 -70.5458 68.5698 GPRESSURE: 838000 -170.287 24.2319 -184.036 -118.64 -234.267 -55.1665 -150.485 -95.3295 127.762 PRESSAVG: 838000 23.1235 -15.5438 6.71668 -15.5439 10.6376 15.3424 6.71649 15.3422 -35.1003 GPRESSAVG: 838000 22.1236 -14.7484 4.52092 -16.7541 12.3923 15.5064 8.76746 14.1883 -35.6814 TIMING: 838000 CPU: 2427.18, 0.00290824/step Wall: 2427.18, 0.00290824/step, 3.36225 hours remaining, 206.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 838000 770.7057 2113.7341 1947.7960 114.6016 -206263.1740 17886.0825 0.0000 0.0000 34366.3300 -149063.9242 300.1297 -183430.2541 -148966.3655 299.9855 -125.4206 -92.2641 558570.0026 -0.4464 -0.3885 PRESSURE: 838200 140.843 -8.53579 54.2414 -8.53521 69.9437 72.8197 54.242 72.82 -82.3175 GPRESSURE: 838200 206.743 20.8017 32.4193 26.8849 107.149 13.7137 82.9577 86.1352 -85.1263 PRESSAVG: 838200 70.9993 -45.5525 0.389025 -45.5525 -19.4531 9.53181 0.389097 9.53191 -17.0063 GPRESSAVG: 838200 71.8869 -47.0294 0.920418 -40.7596 -19.5861 7.79991 0.836562 10.6097 -17.6265 TIMING: 838200 CPU: 2427.76, 0.00290637/step Wall: 2427.76, 0.00290637/step, 3.35993 hours remaining, 206.816406 MB of memory in use. ENERGY: 838200 754.1134 2137.7462 1931.8319 113.1108 -206331.2969 17981.9714 0.0000 0.0000 34377.6976 -149034.8255 300.2290 -183412.5232 -148947.9280 300.1881 42.8231 76.2551 558250.2362 11.5133 11.5581 PRESSURE: 838400 -175.316 -49.1709 191.585 -49.1723 -337.929 39.7408 191.585 39.742 -132.391 GPRESSURE: 838400 -116.887 -69.4932 128.858 -29.0229 -361.354 117.153 203.935 1.59411 -68.9338 PRESSAVG: 838400 -9.88431 -29.5213 37.1185 -29.5212 12.1358 43.7131 37.1185 43.7131 -11.6438 GPRESSAVG: 838400 -9.95147 -28.6156 36.9646 -34.2509 11.5144 44.8544 36.4081 44.3693 -10.9096 TIMING: 838400 CPU: 2428.34, 0.00291154/step Wall: 2428.34, 0.00291154/step, 3.36574 hours remaining, 206.816406 MB of memory in use. ENERGY: 838400 726.3246 2067.2909 1950.3606 119.0543 -206197.8236 17564.4135 0.0000 0.0000 34403.4526 -149366.9270 300.4539 -183770.3796 -149267.7467 300.2250 -215.2121 -182.3916 557620.6000 -3.1307 -3.1156 PRESSURE: 838600 -146.235 -69.9015 -34.7439 -69.903 187.527 -16.319 -34.7449 -16.3195 -102.657 GPRESSURE: 838600 -76.4621 -153.273 65.6453 -88.1871 221.834 1.42166 -47.4331 -61.05 -107.494 PRESSAVG: 838600 8.68848 14.2077 6.21713 14.2076 -1.29997 16.7031 6.21715 16.7031 4.50536 GPRESSAVG: 838600 7.48897 14.5697 5.55958 14.3482 -0.443285 16.8706 7.21325 17.3648 5.22586 TIMING: 838600 CPU: 2428.92, 0.00288611/step Wall: 2428.92, 0.00288611/step, 3.33618 hours remaining, 206.816406 MB of memory in use. ENERGY: 838600 723.8832 2092.7990 1983.1804 120.4223 -206236.9825 17689.5796 0.0000 0.0000 34327.4612 -149299.6568 299.7903 -183627.1180 -149204.3052 299.7436 -20.4549 12.6261 558230.4176 3.9646 4.0905 PRESSURE: 838800 -44.3376 -95.2769 102.203 -95.2769 -10.439 160.682 102.204 160.682 -257.001 GPRESSURE: 838800 -32.0428 -37.2637 113.967 -56.7091 0.928625 119.836 21.7197 141.518 -179.813 PRESSAVG: 838800 12.031 -24.1564 -11.6841 -24.1565 18.872 27.6679 -11.6841 27.6678 -30.1268 GPRESSAVG: 838800 13.0112 -25.4701 -9.98165 -22.455 18.0836 26.1421 -11.8389 27.0014 -30.0683 TIMING: 838800 CPU: 2429.5, 0.00289263/step Wall: 2429.5, 0.00289263/step, 3.34356 hours remaining, 206.816406 MB of memory in use. ENERGY: 838800 749.5056 2058.7417 1972.8701 113.1217 -206263.8695 17688.7091 0.0000 0.0000 34291.8596 -149389.0617 299.4793 -183680.9213 -149292.5065 299.1035 -103.9260 -70.3092 557237.0292 0.2588 0.3422 PRESSURE: 839000 -181.283 -115.68 -97.6932 -115.68 16.5938 -35.7057 -97.694 -35.7064 -181.204 GPRESSURE: 839000 -108.634 -162.768 -9.7677 9.39434 -31.8398 3.43302 -97.0704 -27.9783 -114.768 PRESSAVG: 839000 32.8641 -46.4101 -14.9703 -46.4101 28.4397 2.94095 -14.9703 2.94089 -63.952 GPRESSAVG: 839000 31.3092 -45.469 -15.0424 -45.9462 29.0498 5.0147 -14.8318 3.5334 -62.7047 TIMING: 839000 CPU: 2430.08, 0.00290556/step Wall: 2430.08, 0.00290556/step, 3.35834 hours remaining, 206.816406 MB of memory in use. ENERGY: 839000 756.6102 2087.2748 1943.0558 122.0426 -206076.0758 17517.1338 0.0000 0.0000 34298.3159 -149351.6426 299.5357 -183649.9585 -149254.0598 299.1115 -115.2979 -85.0808 557020.8646 -0.8827 -0.7819 PRESSURE: 839200 -130.854 76.2154 34.7262 76.2154 -152.578 -55.6896 34.7256 -55.6886 -86.9763 GPRESSURE: 839200 -171.21 57.2932 106.155 4.0371 -59.965 -93.4499 42.0112 -59.8748 -36.7998 PRESSAVG: 839200 29.0764 -7.77672 25.9615 -7.77669 17.8703 6.60377 25.9614 6.60375 3.11978 GPRESSAVG: 839200 30.053 -8.05525 26.4423 -8.23799 17.9958 5.96147 24.9162 4.41681 2.21822 TIMING: 839200 CPU: 2430.66, 0.00292269/step Wall: 2430.66, 0.00292269/step, 3.37798 hours remaining, 206.816406 MB of memory in use. ENERGY: 839200 703.3929 2091.4516 1956.4348 112.3180 -206074.0609 17595.1632 0.0000 0.0000 34163.9220 -149451.3784 298.3620 -183615.3004 -149352.9016 298.3911 -123.4694 -89.3250 556840.7497 16.6888 16.7557 PRESSURE: 839400 -425.433 35.355 47.9059 35.3546 345.866 53.3596 47.9063 53.3589 -14.6644 GPRESSURE: 839400 -335.375 47.3459 -43.2325 -4.61269 374.876 64.6798 33.2536 1.7371 -45.2132 PRESSAVG: 839400 27.1862 35.5498 0.816443 35.5497 19.2288 3.86921 0.816474 3.86928 -19.7289 GPRESSAVG: 839400 28.3388 35.4688 0.168579 35.7209 18.4743 5.77459 0.290868 3.72053 -20.4933 TIMING: 839400 CPU: 2431.25, 0.00291819/step Wall: 2431.25, 0.00291819/step, 3.37262 hours remaining, 206.816406 MB of memory in use. ENERGY: 839400 732.5830 2070.4475 1967.6527 106.6134 -206247.3336 17767.4465 0.0000 0.0000 34181.1851 -149421.4054 298.5128 -183602.5906 -149326.5135 299.0608 -31.4103 -1.9039 557530.3918 8.8954 8.7733 PRESSURE: 839600 -109.7 -64.2123 12.0673 -64.2125 -145.443 -3.77585 12.0672 -3.7758 -310.473 GPRESSURE: 839600 -119.631 -103.535 91.4166 -95.043 -123.076 -25.6194 21.304 18.1676 -226.534 PRESSAVG: 839600 -24.0943 24.4232 -13.866 24.4233 30.18 75.7904 -13.8662 75.7903 -35.3757 GPRESSAVG: 839600 -24.4273 23.5878 -13.7739 25.0206 31.0731 72.2473 -13.1258 78.0924 -35.7983 TIMING: 839600 CPU: 2431.83, 0.00289996/step Wall: 2431.83, 0.00289996/step, 3.35138 hours remaining, 206.816406 MB of memory in use. ENERGY: 839600 768.5852 2138.1809 1923.6603 121.7878 -206081.2847 17610.1988 0.0000 0.0000 34138.0446 -149380.8269 298.1360 -183518.8715 -149283.8960 298.0924 -188.5389 -156.4135 557152.0537 -9.7633 -9.7175 PRESSURE: 839800 -53.1604 -89.5205 106.951 -89.5211 84.6461 -116.496 106.95 -116.497 -28.0486 GPRESSURE: 839800 -38.1053 -87.5615 101.866 -81.8339 113.686 -82.4671 122.696 -118.761 24.5834 PRESSAVG: 839800 -12.6431 -35.6016 -19.7269 -35.6016 19.7885 34.4229 -19.727 34.4229 32.3562 GPRESSAVG: 839800 -13.0579 -32.6398 -19.3734 -36.3509 20.7054 38.1831 -18.2809 31.9434 31.6048 TIMING: 839800 CPU: 2432.41, 0.00292208/step Wall: 2432.41, 0.00292208/step, 3.37679 hours remaining, 206.816406 MB of memory in use. ENERGY: 839800 762.9395 2035.4792 1952.4580 106.1937 -206175.2928 17775.5983 0.0000 0.0000 34198.1981 -149344.4259 298.6614 -183542.6240 -149248.9661 298.3759 1.1457 33.3879 556465.8678 13.1672 13.0841 PRESSURE: 840000 -151.164 107.833 -31.4416 107.834 -235.786 -66.2173 -31.4411 -66.2164 -116.303 GPRESSURE: 840000 -112.196 10.3545 -19.242 166.557 -193.04 21.924 -79.2376 -30.5865 -96.5578 PRESSAVG: 840000 -61.375 -66.1827 -33.4382 -66.1827 29.7532 42.7784 -33.4382 42.7784 -13.6676 GPRESSAVG: 840000 -62.1926 -69.3094 -34.6943 -64.8365 29.6069 42.7043 -33.2679 42.5819 -12.8162 TIMING: 840000 CPU: 2432.99, 0.00288274/step Wall: 2432.99, 0.00288274/step, 3.33117 hours remaining, 206.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 840000 771.4546 2064.2011 1956.3651 121.4885 -205868.1860 17462.6318 0.0000 0.0000 34196.0420 -149296.0028 298.6425 -183492.0449 -149200.0889 299.1356 -167.7512 -133.9313 557152.0291 -15.0965 -15.1340 PRESSURE: 840200 114.334 -183.044 82.8655 -183.044 -281.7 -56.2384 82.8672 -56.2396 -46.7293 GPRESSURE: 840200 181.815 -164.471 -28.9748 -181.476 -302.115 -89.7036 116.666 -63.5314 -0.941913 PRESSAVG: 840200 13.5584 -2.89842 -0.382788 -2.89849 -49.7653 -31.8426 -0.382857 -31.8426 31.3899 GPRESSAVG: 840200 14.0927 -2.12743 -0.342861 -4.77781 -49.6723 -33.1906 -0.214414 -29.9278 31.6754 TIMING: 840200 CPU: 2433.56, 0.00287337/step Wall: 2433.56, 0.00287337/step, 3.32018 hours remaining, 206.816406 MB of memory in use. ENERGY: 840200 742.7187 2058.8783 1931.6504 114.2180 -206035.6247 17816.9671 0.0000 0.0000 34119.1005 -149252.0917 297.9706 -183371.1922 -149159.8683 299.3817 -71.3651 -40.4140 558222.3799 -1.6056 -1.3014 LDB: ============= START OF LOAD BALANCING ============== 2436.95 LDB: ============== END OF LOAD BALANCING =============== 2436.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2436.95 LDB: ============= START OF LOAD BALANCING ============== 2437.24 LDB: Largest compute 4820 load 0.028589 is 24.2% of average load 0.117969 LDB: Average compute 0.001725 is 1.5% of average load 0.117969 LDB: TIME 2437.24 LOAD: AVG 0.117969 MAX 0.189078 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.359 MB LDB: TIME 2437.24 LOAD: AVG 0.117969 MAX 0.189078 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: TIME 2437.24 LOAD: AVG 0.117969 MAX 0.189078 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: ============== END OF LOAD BALANCING =============== 2437.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2437.25 PRESSURE: 840400 193.778 -51.6393 -54.7078 -51.6389 170.767 -113.536 -54.709 -113.537 -324.672 GPRESSURE: 840400 241.736 -1.49929 -71.9262 -38.7626 185.203 -88.6277 -56.3742 -205.237 -298.318 PRESSAVG: 840400 20.1461 -38.1554 11.8851 -38.1554 -51.4868 -41.1728 11.885 -41.1727 24.7926 GPRESSAVG: 840400 19.4656 -38.8145 14.2904 -36.7313 -51.764 -42.0186 9.95429 -40.3408 25.133 TIMING: 840400 CPU: 2434.15, 0.00295451/step Wall: 2434.15, 0.00295451/step, 3.41377 hours remaining, 207.593750 MB of memory in use. ENERGY: 840400 713.4096 2092.6404 1940.9736 110.3419 -206199.4748 17687.7763 0.0000 0.0000 34304.7726 -149349.5603 299.5921 -183654.3329 -149253.6905 298.8003 13.2909 42.8735 555679.3284 -2.1827 -2.3885 PRESSURE: 840600 -77.3193 31.415 -59.9339 31.4154 29.132 29.812 -59.9354 29.8124 -127.465 GPRESSURE: 840600 15.2757 29.0341 -12.6525 12.3079 31.2927 26.3688 -35.1157 7.29599 -123.816 PRESSAVG: 840600 32.7604 23.8838 35.1083 23.8839 -22.6663 20.7242 35.1083 20.7242 11.5261 GPRESSAVG: 840600 33.0894 23.257 35.4897 23.3667 -23.5249 20.4511 34.5318 20.4925 11.8998 TIMING: 840600 CPU: 2434.73, 0.00289681/step Wall: 2434.73, 0.00289681/step, 3.34694 hours remaining, 207.664062 MB of memory in use. ENERGY: 840600 744.5474 2044.7097 1965.5532 120.4965 -206002.6527 17636.2784 0.0000 0.0000 34149.1288 -149341.9387 298.2328 -183491.0674 -149245.1099 298.9220 -58.5507 -25.7492 557029.1105 7.2067 7.1548 PRESSURE: 840800 -159.496 -88.5057 112.825 -88.5064 223.4 -80.2047 112.825 -80.2054 51.6836 GPRESSURE: 840800 -109.932 -133.97 131.885 82.7028 254.702 -101.874 99.0944 -52.4227 70.2703 PRESSAVG: 840800 38.8823 -1.88485 23.2151 -1.88496 -44.1095 -19.7382 23.2151 -19.7381 -12.4959 GPRESSAVG: 840800 39.1055 -2.51922 22.4285 -3.42366 -44.1813 -19.2287 25.418 -19.0297 -12.701 TIMING: 840800 CPU: 2435.31, 0.00289203/step Wall: 2435.31, 0.00289203/step, 3.34126 hours remaining, 207.664062 MB of memory in use. ENERGY: 840800 737.4411 2090.3355 1958.9555 119.9198 -206541.1281 17902.0169 0.0000 0.0000 34277.2939 -149455.1653 299.3521 -183732.4593 -149359.5096 298.6840 38.5295 71.6801 557455.1753 -5.9077 -5.9256 PRESSURE: 841000 123.475 84.2218 -114.399 84.2225 -144.599 -107.918 -114.399 -107.918 -52.7165 GPRESSURE: 841000 170.376 108.081 -101.533 78.4947 -56.0494 -54.0818 -116.902 -73.9927 -83.4919 PRESSAVG: 841000 5.82267 -12.8235 -12.5109 -12.8234 9.69725 -57.7304 -12.5109 -57.7302 38.6326 GPRESSAVG: 841000 5.89011 -11.2954 -12.3985 -12.3278 10.0428 -57.1632 -13.4197 -60.0087 38.3581 TIMING: 841000 CPU: 2435.89, 0.00290895/step Wall: 2435.89, 0.00290895/step, 3.36064 hours remaining, 207.664062 MB of memory in use. ENERGY: 841000 717.0683 2096.1300 1967.1074 111.6865 -206032.1505 17724.5362 0.0000 0.0000 34207.6848 -149207.9373 298.7442 -183415.6221 -149114.2724 298.6875 -24.6135 10.2782 557408.1056 18.0508 18.0970 PRESSURE: 841200 10.5153 -128.684 -20.7162 -128.683 76.4376 -104.299 -20.7179 -104.3 35.8144 GPRESSURE: 841200 64.2877 -197.236 -0.678112 -69.9529 28.3512 -168.81 -55.2454 -20.9485 128.864 PRESSAVG: 841200 -15.0634 6.36202 -25.4257 6.36194 -2.16205 -24.6813 -25.4256 -24.6813 12.4943 GPRESSAVG: 841200 -14.6244 3.89231 -24.7928 8.43294 -2.64746 -22.9822 -26.0066 -24.9651 13.0774 TIMING: 841200 CPU: 2436.47, 0.00289672/step Wall: 2436.47, 0.00289672/step, 3.34635 hours remaining, 207.664062 MB of memory in use. ENERGY: 841200 728.3765 2115.4350 1944.8671 130.9721 -206448.5642 18035.2683 0.0000 0.0000 34340.2308 -149153.4144 299.9018 -183493.6452 -149054.6286 298.8257 40.9225 73.8345 557879.2815 -1.5770 -1.3981 PRESSURE: 841400 -149.969 35.8782 -128.582 35.8789 146.499 86.9432 -128.582 86.9427 198.227 GPRESSURE: 841400 -126.02 30.4771 -157.555 47.3292 192.202 34.5227 -17.5176 72.5635 234.858 PRESSAVG: 841400 15.5292 -23.2197 -11.3791 -23.2196 -50.3829 14.7049 -11.3791 14.7048 63.1382 GPRESSAVG: 841400 14.2687 -21.8043 -12.7229 -23.8217 -48.6239 14.2596 -9.35595 16.2469 62.3069 TIMING: 841400 CPU: 2437.05, 0.00289017/step Wall: 2437.05, 0.00289017/step, 3.33862 hours remaining, 207.664062 MB of memory in use. ENERGY: 841400 727.1619 2063.4263 1936.8901 114.5290 -206499.9359 18030.0995 0.0000 0.0000 34263.9425 -149363.8866 299.2355 -183627.8291 -149266.1153 299.3507 64.9191 100.3465 558711.8760 9.4282 9.3172 PRESSURE: 841600 69.4338 -15.7079 -173.67 -15.7069 -64.0606 109.094 -173.67 109.093 110.047 GPRESSURE: 841600 79.7956 22.7726 -165.887 -21.8534 -29.1173 140.913 -130.477 93.964 160.314 PRESSAVG: 841600 -22.0661 12.9702 18.4641 12.9702 -13.4164 27.35 18.4642 27.3501 46.9618 GPRESSAVG: 841600 -21.3064 14.151 20.8466 12.8426 -13.9919 26.0885 18.7568 26.9167 47.086 TIMING: 841600 CPU: 2437.63, 0.00289983/step Wall: 2437.63, 0.00289983/step, 3.34963 hours remaining, 207.664062 MB of memory in use. ENERGY: 841600 737.0103 2102.5509 1917.1722 124.2196 -206510.9966 17898.8769 0.0000 0.0000 34446.0139 -149285.1529 300.8256 -183731.1668 -149193.2099 299.0557 38.4735 70.3308 557133.7713 3.8264 3.9293 PRESSURE: 841800 47.3244 20.3374 49.6601 20.337 82.2312 49.4761 49.66 49.4773 -159.519 GPRESSURE: 841800 45.843 41.9693 41.6227 18.4906 112.601 53.2749 126.321 -13.828 -83.6136 PRESSAVG: 841800 -55.1693 -17.2141 56.2886 -17.2142 -0.583868 95.5833 56.2887 95.5833 61.2237 GPRESSAVG: 841800 -55.4885 -16.9674 54.0948 -19.3391 -1.25983 98.5423 55.1886 94.6548 62.8303 TIMING: 841800 CPU: 2438.21, 0.00290013/step Wall: 2438.21, 0.00290013/step, 3.34982 hours remaining, 207.664062 MB of memory in use. ENERGY: 841800 702.4824 2034.8315 1950.9813 113.7408 -205794.8015 17560.8521 0.0000 0.0000 34452.2389 -148979.6745 300.8800 -183431.9133 -148883.4379 299.3184 -9.9879 24.9435 556968.5548 1.8235 2.0273 PRESSURE: 842000 172.928 212.461 65.4604 212.461 -14.4457 -100.677 65.459 -100.676 -27.6981 GPRESSURE: 842000 193.904 200.726 54.2323 207.022 -7.46872 -84.0616 57.814 -111.653 49.7861 PRESSAVG: 842000 10.2931 50.2442 5.11513 50.2441 25.0467 26.627 5.11504 26.6272 -55.0529 GPRESSAVG: 842000 10.5089 48.4759 5.09713 52.4038 25.0891 23.9681 5.45298 28.5034 -55.0913 TIMING: 842000 CPU: 2438.79, 0.00290092/step Wall: 2438.79, 0.00290092/step, 3.35056 hours remaining, 207.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 842000 726.0180 2032.2088 1974.9683 110.1376 -206058.3641 17928.2521 0.0000 0.0000 34248.2141 -149038.5652 299.0982 -183286.7793 -148945.7000 299.8002 43.5948 78.7405 558139.2176 -6.5710 -6.4978 PRESSURE: 842200 -29.288 99.3237 72.5717 99.3237 -293.288 -188.472 72.5711 -188.472 -77.1359 GPRESSURE: 842200 -2.96623 80.9085 3.5598 74.1838 -260.361 -241.136 87.767 -150.477 -39.8337 PRESSAVG: 842200 -46.9609 -21.3463 2.3639 -21.3462 28.9885 -33.7924 2.36396 -33.7925 7.65567 GPRESSAVG: 842200 -46.6625 -21.2304 2.1222 -21.3981 29.3238 -34.126 3.44023 -34.3632 6.88711 TIMING: 842200 CPU: 2439.37, 0.00291118/step Wall: 2439.37, 0.00291118/step, 3.36225 hours remaining, 207.664062 MB of memory in use. ENERGY: 842200 734.1985 2084.5238 1951.7929 110.5617 -205635.0265 17523.8098 0.0000 0.0000 34195.4622 -149034.6775 298.6375 -183230.1397 -148929.4937 298.7848 -133.2373 -101.0536 559708.1284 -3.4389 -3.4839 PRESSURE: 842400 273.662 -101.651 -33.5177 -101.653 -1.95379 73.9825 -33.5182 73.9806 272.08 GPRESSURE: 842400 348.421 -131.987 12.0765 -44.0358 26.7092 109.981 -49.1253 98.1767 255.343 PRESSAVG: 842400 11.716 20.1672 23.1881 20.1672 -9.09437 -49.004 23.188 -49.0041 -10.509 GPRESSAVG: 842400 12.135 20.7231 23.7901 21.1392 -10.2125 -47.7841 21.9999 -49.4531 -10.1912 TIMING: 842400 CPU: 2439.95, 0.00288766/step Wall: 2439.95, 0.00288766/step, 3.33493 hours remaining, 207.664062 MB of memory in use. ENERGY: 842400 764.4030 2073.8488 1949.7643 107.6369 -206413.3721 17998.7906 0.0000 0.0000 34740.3420 -148778.5865 303.3960 -183518.9285 -148680.9550 300.6004 181.2627 210.1577 556522.6237 -2.6292 -2.7562 PRESSURE: 842600 -109.072 1.67791 205.819 1.67656 223.454 8.73736 205.818 8.73753 63.4066 GPRESSURE: 842600 -85.3727 67.6618 153.575 9.35948 277.885 -162.555 167.561 72.3916 92.283 PRESSAVG: 842600 -16.3797 -13.7899 -5.57877 -13.79 27.2824 -32.4418 -5.57879 -32.4418 -0.569404 GPRESSAVG: 842600 -17.443 -13.1287 -5.00275 -15.3042 28.9298 -34.0339 -7.13887 -31.7474 -0.864717 TIMING: 842600 CPU: 2440.53, 0.00288901/step Wall: 2440.53, 0.00288901/step, 3.33633 hours remaining, 207.664062 MB of memory in use. ENERGY: 842600 760.9810 2144.9498 1924.3560 97.6341 -206043.8350 17912.8540 0.0000 0.0000 34490.8982 -148712.1618 301.2176 -183203.0600 -148611.9989 301.0476 59.2627 94.9316 559768.5184 3.4444 3.5407 PRESSURE: 842800 -168.537 -31.5125 -6.05254 -31.5134 -305.251 -38.0494 -6.0526 -38.048 -56.868 GPRESSURE: 842800 -123.422 -60.3904 -21.7938 2.67446 -269.748 -100.784 26.9197 61.3417 -46.8681 PRESSAVG: 842800 -24.8931 70.71 15.0518 70.71 -36.5911 -33.755 15.0518 -33.7549 66.7272 GPRESSAVG: 842800 -24.0534 69.5495 14.3896 71.1537 -37.4135 -33.981 16.5901 -31.2826 67.1085 TIMING: 842800 CPU: 2441.11, 0.00288833/step Wall: 2441.11, 0.00288833/step, 3.33538 hours remaining, 207.664062 MB of memory in use. ENERGY: 842800 741.4321 2104.8146 1951.6250 118.3270 -205340.2699 17420.1704 0.0000 0.0000 34292.6492 -148711.2516 299.4862 -183003.9008 -148614.6586 301.2132 -176.8855 -146.6795 558754.0114 1.7477 1.8805 PRESSURE: 843000 -195.306 5.65961 -108.611 5.65991 57.2753 22.0362 -108.61 22.0354 -133.955 GPRESSURE: 843000 -154.242 -164.193 -26.0393 111.429 88.898 -48.1287 -69.2109 173.081 -114.293 PRESSAVG: 843000 33.8623 39.2945 -28.595 39.2944 33.7004 55.1997 -28.5951 55.1997 -40.7851 GPRESSAVG: 843000 34.272 38.3274 -29.3056 40.5423 34.6104 58.8564 -28.2414 51.2283 -41.7313 TIMING: 843000 CPU: 2441.68, 0.00288507/step Wall: 2441.68, 0.00288507/step, 3.33145 hours remaining, 207.664062 MB of memory in use. ENERGY: 843000 764.3050 2119.7015 1970.0455 102.2104 -205745.8342 17651.6527 0.0000 0.0000 34241.3332 -148896.5860 299.0381 -183137.9191 -148803.7415 301.0384 -90.6619 -59.8790 557546.7893 8.9259 9.0504 PRESSURE: 843200 -1.85632 251.397 -69.4054 251.397 -135.724 -10.7445 -69.405 -10.7449 -110.094 GPRESSURE: 843200 14.5175 266.272 -164.946 250.679 -67.18 13.4594 -33.6759 -53.5251 -103.316 PRESSAVG: 843200 -15.3223 41.75 -32.9672 41.7499 72.5023 9.58639 -32.9673 9.58643 -52.8075 GPRESSAVG: 843200 -14.3932 42.8972 -33.3905 40.582 71.352 10.5495 -34.2882 10.2118 -52.6133 TIMING: 843200 CPU: 2442.26, 0.00288879/step Wall: 2442.26, 0.00288879/step, 3.33559 hours remaining, 207.664062 MB of memory in use. ENERGY: 843200 737.9459 2082.6401 1959.6309 117.9065 -205911.7079 17689.7917 0.0000 0.0000 34396.0046 -148927.7881 300.3889 -183323.7927 -148831.4027 300.7557 -82.5581 -51.9928 558667.4391 1.4575 1.4485 PRESSURE: 843400 -292.784 96.3051 13.8149 96.306 10.2058 105.917 13.8156 105.918 230.769 GPRESSURE: 843400 -220.345 121.729 33.0888 143.925 15.3891 85.5607 32.8703 57.361 241.968 PRESSAVG: 843400 -57.1018 24.3855 -59.6087 24.3856 0.375857 -14.5794 -59.6087 -14.5794 37.3002 GPRESSAVG: 843400 -57.7276 23.8619 -58.9638 24.9219 0.998074 -15.7808 -57.7021 -12.6089 37.4699 TIMING: 843400 CPU: 2442.84, 0.00288592/step Wall: 2442.84, 0.00288592/step, 3.33212 hours remaining, 207.664062 MB of memory in use. ENERGY: 843400 731.5471 2155.1963 1969.0595 121.2043 -206250.8883 17822.9787 0.0000 0.0000 34604.0907 -148846.8116 302.2061 -183450.9023 -148747.1094 300.4748 -17.2696 12.3372 559285.1532 -6.4753 -6.4199 PRESSURE: 843600 -40.4033 116.035 23.3915 116.034 -27.758 23.4367 23.3912 23.4365 42.8667 GPRESSURE: 843600 -24.1905 97.3592 94.1438 91.4718 -33.2594 14.6262 -24.5052 29.4592 128.422 PRESSAVG: 843600 -29.8012 64.7598 0.663762 64.7597 -19.8638 9.88792 0.663844 9.88794 33.2236 GPRESSAVG: 843600 -29.3813 65.5096 -1.62081 64.5991 -20.9996 8.11936 -0.429557 8.052 33.7507 TIMING: 843600 CPU: 2443.42, 0.00290066/step Wall: 2443.42, 0.00290066/step, 3.34898 hours remaining, 207.664062 MB of memory in use. ENERGY: 843600 739.5707 2148.5018 1960.1045 117.1251 -205901.6739 17565.8317 0.0000 0.0000 34472.1463 -148898.3939 301.0538 -183370.5402 -148791.3924 300.0304 -8.4315 23.6575 557609.3086 -5.4805 -5.5434 PRESSURE: 843800 -42.9365 20.7616 9.77296 20.7621 -5.41859 49.9569 9.77211 49.9553 -225.303 GPRESSURE: 843800 4.7498 -46.0297 -91.3873 53.6671 15.2436 45.7913 32.5221 46.8174 -192.207 PRESSAVG: 843800 -27.1076 40.429 25.197 40.4289 -15.9105 -12.0364 25.1969 -12.0364 30.8555 GPRESSAVG: 843800 -28.2453 40.6493 26.4028 40.6031 -15.4751 -12.1525 25.6276 -10.0012 32.1667 TIMING: 843800 CPU: 2444.01, 0.00294779/step Wall: 2444.01, 0.00294779/step, 3.40323 hours remaining, 207.664062 MB of memory in use. ENERGY: 843800 748.6657 2086.7048 1968.3182 118.9096 -206065.2686 17870.4265 0.0000 0.0000 34389.1019 -148883.1418 300.3286 -183272.2437 -148789.1845 300.7740 -91.2195 -57.4047 558383.5612 -4.0542 -3.8512 PRESSURE: 844000 125.592 122.377 4.30091 122.377 48.6946 -22.707 4.30191 -22.7075 -65.1201 GPRESSURE: 844000 172.143 92.7045 14.8284 167.12 38.8673 5.40536 -21.6406 -66.4127 -18.6863 PRESSAVG: 844000 -34.6803 -36.9625 3.5034 -36.9626 -47.4552 4.96995 3.50349 4.96997 63.3618 GPRESSAVG: 844000 -34.4837 -36.5628 1.88902 -35.8278 -46.6184 5.12048 3.90378 4.57759 61.9581 TIMING: 844000 CPU: 2444.59, 0.00291964/step Wall: 2444.59, 0.00291964/step, 3.37056 hours remaining, 207.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 844000 796.9950 2105.7115 1957.0515 123.7901 -206552.0212 18147.9619 0.0000 0.0000 34443.6958 -148976.8153 300.8054 -183420.5111 -148882.9486 300.3049 36.3887 64.1080 559494.2302 -6.2579 -6.3813 PRESSURE: 844200 -40.9075 70.4593 164.255 70.4604 -139.766 -166.131 164.255 -166.131 7.37502 GPRESSURE: 844200 -36.3425 6.12909 100.54 31.6686 -43.6706 -217.34 164.243 -162.591 10.7515 PRESSAVG: 844200 21.884 13.0595 -5.18135 13.0595 -5.71086 -39.735 -5.18134 -39.7348 19.2936 GPRESSAVG: 844200 21.9244 12.1293 -5.36992 10.1377 -5.8467 -39.3241 -5.63628 -39.6535 19.9155 TIMING: 844200 CPU: 2445.17, 0.00291432/step Wall: 2445.17, 0.00291432/step, 3.36426 hours remaining, 207.664062 MB of memory in use. ENERGY: 844200 765.8001 2047.9056 1968.6505 116.3228 -205707.0358 17695.4250 0.0000 0.0000 34285.1585 -148827.7733 299.4208 -183112.9318 -148728.3712 300.3549 -57.7661 -23.0872 559375.5061 11.8222 11.9977 LDB: ============= START OF LOAD BALANCING ============== 2448.56 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2448.56 LDB: =============== DONE WITH MIGRATION ================ 2448.56 LDB: ============= START OF LOAD BALANCING ============== 2448.86 LDB: Largest compute 4820 load 0.026478 is 22.5% of average load 0.117934 LDB: Average compute 0.001722 is 1.5% of average load 0.117934 LDB: TIME 2448.86 LOAD: AVG 0.117934 MAX 0.189641 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.105 MB LDB: TIME 2448.86 LOAD: AVG 0.117934 MAX 0.189641 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: TIME 2448.86 LOAD: AVG 0.117934 MAX 0.189641 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2448.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2448.87 PRESSURE: 844400 -55.5764 93.9046 -122.84 93.9035 4.27138 -133.935 -122.839 -133.934 -48.5712 GPRESSURE: 844400 36.0405 143.32 44.7666 33.6335 -13.6596 -186.431 -147.067 -94.1109 -28.7134 PRESSAVG: 844400 19.4778 -15.2262 -25.4859 -15.2263 -5.31458 -15.1766 -25.4861 -15.1767 -29.7056 GPRESSAVG: 844400 17.8437 -14.1211 -23.4995 -14.8081 -4.14647 -16.6176 -26.2937 -15.3704 -29.0784 TIMING: 844400 CPU: 2445.77, 0.00297926/step Wall: 2445.77, 0.00297926/step, 3.43906 hours remaining, 206.882812 MB of memory in use. ENERGY: 844400 748.4585 2080.6702 1958.0615 111.9736 -205644.9982 17667.5597 0.0000 0.0000 34295.2766 -148782.9980 299.5092 -183078.2746 -148687.2452 300.6604 -33.2921 -2.1109 558165.9213 -5.1808 -5.1271 PRESSURE: 844600 -22.0989 51.2028 -70.3515 51.203 -247.866 -74.4773 -70.3519 -74.478 -90.1304 GPRESSURE: 844600 80.5711 32.4126 22.4183 87.8751 -250.437 -103.056 -40.8958 -27.773 -90.5435 PRESSAVG: 844600 96.2326 -28.6869 15.3275 -28.6869 -58.7672 0.790547 15.3275 0.790587 -53.2614 GPRESSAVG: 844600 97.5461 -30.7834 15.2926 -28.301 -60.0083 1.31962 15.4785 -0.126922 -53.9185 TIMING: 844600 CPU: 2446.35, 0.00291207/step Wall: 2446.35, 0.00291207/step, 3.36133 hours remaining, 206.882812 MB of memory in use. ENERGY: 844600 787.9847 2087.7555 1951.4208 108.6443 -205656.6928 17701.2175 0.0000 0.0000 34133.8945 -148885.7757 298.0998 -183019.6702 -148787.7063 300.2437 -120.0317 -86.8033 558200.9999 -5.2653 -5.4602 PRESSURE: 844800 -59.3435 -157.387 -19.0798 -157.386 -150.179 -62.5435 -19.0799 -62.5421 58.1783 GPRESSURE: 844800 -37.0755 -158.335 -36.8333 -146.221 -103.786 22.0256 -68.7843 -26.8748 79.572 PRESSAVG: 844800 0.469248 -66.9126 17.6124 -66.9126 -24.6557 14.4442 17.6125 14.4441 -52.3183 GPRESSAVG: 844800 -0.443495 -65.0077 18.4846 -67.3627 -24.3052 17.5918 16.2527 13.1891 -51.8672 TIMING: 844800 CPU: 2446.93, 0.00288891/step Wall: 2446.93, 0.00288891/step, 3.33445 hours remaining, 206.882812 MB of memory in use. ENERGY: 844800 787.7199 2049.3815 1955.4051 101.7061 -205787.7411 17592.4382 0.0000 0.0000 34355.1864 -148945.9040 300.0324 -183301.0904 -148850.4764 299.7812 -50.4480 -20.4297 557860.4449 -25.5016 -25.5386 PRESSURE: 845000 217.837 -56.7851 147.153 -56.7854 66.4592 110.585 147.152 110.583 19.0078 GPRESSURE: 845000 236.174 -137.998 191.043 4.51945 131.524 236.098 103.444 57.3675 46.8495 PRESSAVG: 845000 -6.09237 -38.594 50.501 -38.594 8.0351 47.3072 50.5011 47.3072 33.6732 GPRESSAVG: 845000 -6.16114 -39.3772 50.2762 -37.734 8.29694 46.3254 50.3614 46.4435 32.7844 TIMING: 845000 CPU: 2447.51, 0.00288469/step Wall: 2447.51, 0.00288469/step, 3.32941 hours remaining, 206.882812 MB of memory in use. ENERGY: 845000 739.9720 2096.6006 1958.2763 119.1880 -206156.0640 17942.9809 0.0000 0.0000 34142.0744 -149156.9717 298.1712 -183299.0461 -149064.1144 299.2488 101.1015 138.1825 557717.2692 11.8720 11.6401 PRESSURE: 845200 138.997 -86.8137 154.271 -86.8127 114.129 74.2632 154.27 74.2627 -44.9414 GPRESSURE: 845200 138.612 -76.2819 126.709 -143.749 155.2 78.1544 150.375 26.0594 16.2924 PRESSAVG: 845200 -58.9913 0.179805 13.0411 0.179846 -21.655 20.0613 13.0411 20.0613 44.4045 GPRESSAVG: 845200 -58.2574 -0.32304 11.9074 0.782132 -22.7402 21.2827 15.5603 20.8013 44.7554 TIMING: 845200 CPU: 2448.08, 0.00288522/step Wall: 2448.08, 0.00288522/step, 3.32987 hours remaining, 206.882812 MB of memory in use. ENERGY: 845200 727.2839 2092.5128 1946.1567 113.7686 -206539.1853 18025.7979 0.0000 0.0000 34399.8832 -149233.7824 300.4227 -183633.6656 -149125.7992 299.1167 69.3951 103.3682 558131.0367 -12.0806 -12.0807 PRESSURE: 845400 -205.529 -150.042 98.0423 -150.043 -179.664 17.0589 98.043 17.0579 -159.399 GPRESSURE: 845400 -137.387 -146.138 27.53 -111.75 -160.92 1.43557 202.677 51.6152 -159.975 PRESSAVG: 845400 16.2677 14.609 4.85552 14.6091 -12.2947 67.8132 4.85552 67.8132 5.6686 GPRESSAVG: 845400 15.511 14.9898 5.06665 12.1942 -11.0257 66.7851 5.61103 68.1644 5.47754 TIMING: 845400 CPU: 2448.66, 0.00288597/step Wall: 2448.66, 0.00288597/step, 3.33057 hours remaining, 206.882812 MB of memory in use. ENERGY: 845400 775.6222 2118.1384 1942.4896 111.8974 -205956.6388 17524.1599 0.0000 0.0000 34160.9523 -149323.3790 298.3361 -183484.3313 -149229.4586 299.2002 -181.5307 -152.7608 557995.9692 3.2138 3.3209 PRESSURE: 845600 -225.28 52.0027 162.899 52.0035 23.0299 90.2686 162.899 90.269 118.819 GPRESSURE: 845600 -211.974 83.1006 207.458 40.0948 52.9382 70.5156 79.2859 51.82 173.448 PRESSAVG: 845600 -18.6319 -3.28983 93.3691 -3.2898 -9.51035 7.60776 93.3691 7.60772 7.16769 GPRESSAVG: 845600 -17.63 -0.153502 94.571 -1.49869 -10.3464 6.42596 90.5766 7.22981 6.73434 TIMING: 845600 CPU: 2449.24, 0.00291802/step Wall: 2449.24, 0.00291802/step, 3.36739 hours remaining, 206.882812 MB of memory in use. ENERGY: 845600 770.6784 2104.3541 1940.5191 112.1823 -206044.7104 17680.7944 0.0000 0.0000 34242.4912 -149193.6909 299.0482 -183436.1821 -149091.8220 298.7428 -27.8104 4.8042 557804.1679 -6.9915 -7.0807 PRESSURE: 845800 -49.5308 -54.3237 -130.375 -54.3242 -95.5518 30.1472 -130.374 30.149 233.196 GPRESSURE: 845800 4.10855 -83.8531 -205.768 -7.72174 -100.388 19.0721 -62.1431 -4.27733 276.808 PRESSAVG: 845800 -6.83937 2.30279 37.1523 2.30282 -23.4761 21.6164 37.1523 21.6165 41.6139 GPRESSAVG: 845800 -7.34368 -1.69113 36.6237 4.96846 -22.982 24.058 37.7645 20.8038 41.9471 TIMING: 845800 CPU: 2449.83, 0.00290671/step Wall: 2449.83, 0.00290671/step, 3.35418 hours remaining, 206.882812 MB of memory in use. ENERGY: 845800 744.8665 2206.7278 1917.5237 112.9089 -206554.1592 18010.6292 0.0000 0.0000 34195.5495 -149365.9537 298.6382 -183561.5031 -149270.7597 299.2522 29.3712 60.1760 557704.6746 3.7662 3.8738 PRESSURE: 846000 -18.8252 -102.795 -74.4767 -102.795 15.0223 24.001 -74.4772 24.0024 308.051 GPRESSURE: 846000 24.7698 -91.4659 -81.8542 -57.6482 76.7401 48.1862 -49.9533 -23.4399 302.433 PRESSAVG: 846000 -61.1457 71.667 -1.97968 71.667 47.425 -18.7022 -1.97977 -18.7021 72.6447 GPRESSAVG: 846000 -59.7946 74.1041 -2.27307 68.9656 46.4255 -21.0182 -2.17746 -17.1017 72.282 TIMING: 846000 CPU: 2450.41, 0.00291419/step Wall: 2450.41, 0.00291419/step, 3.36265 hours remaining, 206.882812 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: 846000 749.7951 2080.1617 1954.8951 110.9639 -206461.3054 17998.1075 0.0000 0.0000 34317.7673 -149249.6148 299.7056 -183567.3821 -149147.5170 299.5903 101.4161 134.6476 556709.4986 19.6413 19.6376 PRESSURE: 846200 -3.31878 -45.1117 -50.9834 -45.1123 -115.928 37.1515 -50.9832 37.1514 -75.5011 GPRESSURE: 846200 35.3551 16.4385 -94.4898 -59.3557 -106.05 30.7457 -23.5076 68.2167 -28.5759 PRESSAVG: 846200 -42.0275 53.6764 -9.5381 53.6763 -32.7251 9.33359 -9.53804 9.33372 35.6175 GPRESSAVG: 846200 -43.0794 53.0034 -10.0497 54.2403 -32.0915 11.4847 -9.37087 8.05782 35.3835 TIMING: 846200 CPU: 2450.99, 0.00292385/step Wall: 2450.99, 0.00292385/step, 3.37364 hours remaining, 206.882812 MB of memory in use. ENERGY: 846200 758.2677 2138.1933 1960.8041 112.7193 -205973.6282 17642.4290 0.0000 0.0000 34117.6624 -149243.5525 297.9580 -183361.2149 -149151.6797 298.7594 -64.9161 -33.0904 556475.5896 -13.0451 -13.2625 PRESSURE: 846400 -128.115 -116.138 -153.919 -116.138 -53.6897 184.529 -153.921 184.53 29.8488 GPRESSURE: 846400 -85.1201 -110.635 -162.309 -86.6348 7.22869 157.336 -128.901 139.278 4.07788 PRESSAVG: 846400 -10.5257 74.6175 1.79756 74.6174 6.3067 -7.51051 1.79745 -7.51053 -1.64911 GPRESSAVG: 846400 -11.3897 76.5041 3.44451 74.8438 6.78849 -10.6193 2.91436 -5.62928 -1.59449 TIMING: 846400 CPU: 2451.58, 0.00292356/step Wall: 2451.58, 0.00292356/step, 3.37314 hours remaining, 206.882812 MB of memory in use. ENERGY: 846400 735.8001 2067.6815 1961.8908 100.7115 -205561.0256 17426.8822 0.0000 0.0000 34209.4359 -149058.6235 298.7595 -183268.0595 -148953.5798 298.8768 -50.6521 -24.6045 557936.5740 -1.9561 -2.0652 PRESSURE: 846600 259.429 -59.599 119.01 -59.5995 1.64166 9.24442 119.01 9.24561 65.041 GPRESSURE: 846600 308.934 -37.7395 119.264 -29.4244 -15.1118 -72.9058 71.7747 -6.03927 110.525 PRESSAVG: 846600 28.2881 30.3753 16.7688 30.3752 14.7402 -5.4908 16.7689 -5.49086 -41.4322 GPRESSAVG: 846600 29.6672 27.5132 13.9839 32.4062 13.2213 -4.01667 16.9834 -5.61313 -41.2844 TIMING: 846600 CPU: 2452.16, 0.00289797/step Wall: 2452.16, 0.00289797/step, 3.34345 hours remaining, 206.882812 MB of memory in use. ENERGY: 846600 759.7168 2094.0966 1947.5201 123.6281 -206540.0242 18170.2584 0.0000 0.0000 34440.3988 -149004.4053 300.7766 -183444.8041 -148907.7548 299.8043 108.7040 134.7823 556339.5735 0.5320 0.5347 PRESSURE: 846800 -24.9033 60.3687 76.4676 60.3689 -320.908 21.8986 76.4666 21.8994 -220.131 GPRESSURE: 846800 53.8429 -19.8944 85.4594 168.231 -320.583 -11.7811 36.2072 63.6524 -190.643 PRESSAVG: 846800 13.0163 30.0736 11.2834 30.0735 -39.6667 -28.1177 11.2835 -28.1177 -7.88318 GPRESSAVG: 846800 12.2544 31.8878 13.0531 30.2928 -39.408 -28.77 9.04098 -28.0645 -7.4982 TIMING: 846800 CPU: 2452.74, 0.00292122/step Wall: 2452.74, 0.00292122/step, 3.37011 hours remaining, 206.882812 MB of memory in use. ENERGY: 846800 785.8566 2049.5450 1942.2009 115.0263 -205683.5621 17450.3489 0.0000 0.0000 34410.5076 -148930.0767 300.5155 -183340.5843 -148826.4646 300.1069 -188.6476 -152.4610 558757.3658 -11.5112 -11.5506 PRESSURE: 847000 167.635 -42.9602 -75.6078 -42.9623 -132.632 -23.0259 -75.6068 -23.0267 22.0181 GPRESSURE: 847000 195.697 -73.7488 62.6122 -30.6321 -93.6303 3.91461 -112.946 8.42033 48.6751 PRESSAVG: 847000 -36.6425 -23.6366 4.86873 -23.6365 -14.5973 -52.4018 4.86864 -52.4018 63.6931 GPRESSAVG: 847000 -36.7 -23.7231 4.88996 -24.5407 -13.3556 -51.2469 7.04636 -53.5232 62.5644 TIMING: 847000 CPU: 2453.33, 0.00291704/step Wall: 2453.33, 0.00291704/step, 3.36513 hours remaining, 206.882812 MB of memory in use. ENERGY: 847000 741.9961 2121.0931 1964.2461 113.2444 -205773.7388 17646.9858 0.0000 0.0000 34093.4933 -149092.6800 297.7470 -183186.1733 -148997.0248 299.6030 19.0071 50.2471 557808.3077 4.1511 4.1696 PRESSURE: 847200 -390.074 -23.1 12.9621 -23.0999 -87.1439 -54.0688 12.963 -54.068 -135.672 GPRESSURE: 847200 -287.631 -63.8962 42.0774 95.289 -119.831 -181.337 20.0361 -64.9674 -103.288 PRESSAVG: 847200 36.6525 -18.5423 38.9697 -18.5422 -26.216 -42.7831 38.9698 -42.7831 -17.3143 GPRESSAVG: 847200 36.8644 -19.1751 38.7709 -18.0681 -27.264 -40.1152 37.4535 -44.7792 -17.3059 TIMING: 847200 CPU: 2453.91, 0.0029147/step Wall: 2453.91, 0.0029147/step, 3.36227 hours remaining, 206.882812 MB of memory in use. ENERGY: 847200 754.1530 2118.7103 1954.3014 115.0556 -206140.6217 17649.4118 0.0000 0.0000 34340.7747 -149208.2148 299.9065 -183548.9895 -149116.7904 299.3513 -204.2966 -170.2500 559330.5113 -2.2926 -2.5685 PRESSURE: 847400 26.3706 -36.1583 165.805 -36.1579 -2.23456 -118.05 165.805 -118.051 -162.6 GPRESSURE: 847400 100.975 22.233 126.192 -40.1584 7.63462 -145.954 143.273 -115.285 -157.549 PRESSAVG: 847400 -61.7503 18.8398 37.5071 18.8398 21.172 -1.50435 37.5071 -1.50434 36.435 GPRESSAVG: 847400 -62.4736 19.4696 38.7286 17.8 21.2276 -3.32088 37.2274 0.594959 36.4974 TIMING: 847400 CPU: 2454.49, 0.00293086/step Wall: 2454.49, 0.00293086/step, 3.38075 hours remaining, 206.882812 MB of memory in use. ENERGY: 847400 717.7839 2118.0542 1955.2890 116.2503 -205912.4530 17673.5941 0.0000 0.0000 34143.9651 -149187.5164 298.1877 -183331.4815 -149093.2751 299.0323 -46.1548 -16.3131 558982.7687 -1.3811 -1.5829 PRESSURE: 847600 62.7409 -11.2747 221.789 -11.2727 106.748 19.7063 221.788 19.7069 169.259 GPRESSURE: 847600 133.595 -26.5405 217.382 -18.7398 110.279 59.5177 279.297 -56.6122 181.298 PRESSAVG: 847600 16.1982 -57.8294 33.6379 -57.8294 -64.5125 -37.8977 33.638 -37.8977 77.1923 GPRESSAVG: 847600 17.4359 -58.5014 30.4915 -58.101 -65.0568 -38.0089 35.1037 -38.1025 76.4141 TIMING: 847600 CPU: 2455.08, 0.0029294/step Wall: 2455.08, 0.0029294/step, 3.3789 hours remaining, 206.882812 MB of memory in use. ENERGY: 847600 741.9405 2087.6423 1941.2920 116.6715 -206058.9265 17945.1676 0.0000 0.0000 34277.8275 -148948.3851 299.3568 -183226.2125 -148850.0892 299.6864 112.9162 141.7241 559075.8583 9.6260 9.5977 PRESSURE: 847800 121.102 183.012 163.265 183.014 -66.1237 99.7063 163.265 99.7058 -79.3235 GPRESSURE: 847800 112.321 238.071 207.53 160.82 -28.016 116.407 49.9652 68.1979 -7.46258 PRESSAVG: 847800 -1.54928 4.23471 -5.58282 4.23457 33.0656 36.8048 -5.58285 36.8048 -19.7482 GPRESSAVG: 847800 -2.57704 3.97134 -1.7434 6.16482 33.0729 36.5164 -7.38044 35.9444 -18.3552 TIMING: 847800 CPU: 2455.66, 0.00290276/step Wall: 2455.66, 0.00290276/step, 3.34801 hours remaining, 206.882812 MB of memory in use. ENERGY: 847800 773.0439 2048.3797 1933.6646 129.6766 -206206.6921 17762.8708 0.0000 0.0000 34487.7943 -149071.2621 301.1905 -183559.0564 -148973.1430 300.1832 -8.1150 25.6141 557085.2940 3.9227 4.0469 PRESSURE: 848000 -158.356 32.4316 113.781 32.4319 -329.202 228.742 113.78 228.743 4.88828 GPRESSURE: 848000 -152.711 38.6372 155.819 59.1176 -282.278 267.799 61.3118 267.084 44.4338 PRESSAVG: 848000 78.1103 32.5979 5.7433 32.5978 -11.0187 20.7574 5.74328 20.7574 -27.0277 GPRESSAVG: 848000 78.3777 32.4304 1.91899 30.6736 -11.6321 19.7559 8.76676 22.1095 -26.8968 TIMING: 848000 CPU: 2456.24, 0.00289775/step Wall: 2456.24, 0.00289775/step, 3.34207 hours remaining, 206.882812 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: 848000 776.0618 2109.6773 1954.7571 121.1764 -205928.6751 17740.2891 0.0000 0.0000 34250.6060 -148976.1073 299.1191 -183226.7133 -148883.5415 299.6771 -160.8897 -130.1851 558743.5677 13.3546 13.2829 PRESSURE: 848200 -16.3035 84.8335 -58.5915 84.8343 -143.468 122.395 -58.5927 122.395 39.1217 GPRESSURE: 848200 64.4384 25.3242 -55.3621 121.246 -89.4923 179.235 -38.1088 66.3247 -6.08839 PRESSAVG: 848200 38.6228 -1.79316 0.831181 -1.79316 -49.465 14.2626 0.83116 14.2625 45.0784 GPRESSAVG: 848200 39.1888 -2.59219 2.46693 -0.279426 -50.5952 15.4414 -1.8806 14.1602 45.2087 TIMING: 848200 CPU: 2456.82, 0.00290301/step Wall: 2456.82, 0.00290301/step, 3.34797 hours remaining, 206.882812 MB of memory in use. ENERGY: 848200 740.5143 2161.6884 1940.0561 119.1534 -205878.0515 17540.0208 0.0000 0.0000 34451.5756 -148925.0428 300.8742 -183376.6184 -148827.4773 300.5130 -40.2168 -10.3808 555881.3013 11.4121 11.2674 LDB: ============= START OF LOAD BALANCING ============== 2460.2 LDB: ============== END OF LOAD BALANCING =============== 2460.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2460.21 LDB: ============= START OF LOAD BALANCING ============== 2460.49 LDB: Largest compute 4820 load 0.026841 is 22.8% of average load 0.117928 LDB: Average compute 0.001721 is 1.5% of average load 0.117928 LDB: TIME 2460.5 LOAD: AVG 0.117928 MAX 0.188071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.586 MB LDB: TIME 2460.5 LOAD: AVG 0.117928 MAX 0.188071 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.656 MB LDB: TIME 2460.5 LOAD: AVG 0.117928 MAX 0.188071 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2460.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2460.5 PRESSURE: 848400 113.409 -42.545 31.5942 -42.5444 -83.525 -37.6687 31.5948 -37.6677 16.8441 GPRESSURE: 848400 175.401 47.6779 24.7398 -111.276 -79.0386 -8.69428 -57.1756 -10.7819 44.2074 PRESSAVG: 848400 36.2634 38.2407 -26.9812 38.2407 -55.4608 63.1858 -26.9812 63.1858 25.777 GPRESSAVG: 848400 35.7484 40.0162 -23.8683 36.6438 -53.9356 62.0295 -26.3996 61.9613 25.1815 TIMING: 848400 CPU: 2457.41, 0.0029335/step Wall: 2457.41, 0.0029335/step, 3.38298 hours remaining, 206.234375 MB of memory in use. ENERGY: 848400 746.3474 2122.8999 1958.5189 119.7855 -205808.4841 17728.3811 0.0000 0.0000 34291.4215 -148841.1300 299.4755 -183132.5514 -148736.7847 300.8487 15.5759 46.8566 557277.8633 2.1932 2.3314 PRESSURE: 848600 -150.526 181.025 -31.6673 181.024 -117.458 99.9358 -31.6682 99.9368 -317.468 GPRESSURE: 848600 -103.808 116.494 30.4762 211.903 -65.4638 105.412 -29.3056 93.4876 -330.614 PRESSAVG: 848600 8.67306 40.7063 1.97097 40.7062 -17.0973 51.015 1.97102 51.0151 18.6295 GPRESSAVG: 848600 8.12353 41.7241 -0.509236 40.6062 -16.9288 51.9408 3.84572 53.5774 18.5481 TIMING: 848600 CPU: 2457.99, 0.00290402/step Wall: 2457.99, 0.00290402/step, 3.34882 hours remaining, 206.234375 MB of memory in use. ENERGY: 848600 760.2355 2118.9273 1978.5527 121.6165 -205880.4312 17487.9681 0.0000 0.0000 34490.2190 -148922.9122 301.2117 -183413.1312 -148823.2120 300.4650 -195.1508 -166.6285 557010.7881 3.4018 3.2476 PRESSURE: 848800 -132.261 158.882 -76.4292 158.882 0.930469 -159.868 -76.4288 -159.869 -75.7376 GPRESSURE: 848800 -98.129 54.1354 -57.4162 227.359 33.4688 -152.732 -37.0439 -89.6578 -56.6137 PRESSAVG: 848800 -1.14228 39.8883 -18.0181 39.8883 12.5788 17.0795 -18.0181 17.0795 -1.76073 GPRESSAVG: 848800 -1.5437 39.1627 -18.7341 39.8894 12.9473 17.3272 -18.0133 15.4749 -1.97323 TIMING: 848800 CPU: 2458.57, 0.00292525/step Wall: 2458.57, 0.00292525/step, 3.37313 hours remaining, 206.234375 MB of memory in use. ENERGY: 848800 762.7442 2171.3928 1968.3984 107.3311 -205913.7763 17565.7589 0.0000 0.0000 34521.7869 -148816.3640 301.4874 -183338.1509 -148718.7302 300.8434 -69.0227 -40.4246 558003.0734 3.2253 3.1434 PRESSURE: 849000 114.983 13.4325 15.4963 13.4316 6.84687 -102.741 15.4969 -102.741 17.8648 GPRESSURE: 849000 162.997 47.1164 -10.2122 24.4117 -21.4589 -212.426 61.1733 -97.9646 96.7079 PRESSAVG: 849000 -36.3662 43.2872 22.5862 43.2873 60.6759 5.44755 22.5861 5.44759 -11.1292 GPRESSAVG: 849000 -34.8147 43.2625 23.3103 44.4602 59.0976 4.06283 21.7891 7.43865 -11.5148 TIMING: 849000 CPU: 2459.16, 0.0029293/step Wall: 2459.16, 0.0029293/step, 3.37764 hours remaining, 206.234375 MB of memory in use. ENERGY: 849000 779.9643 2102.7559 1946.4776 117.3368 -206222.0098 18086.6994 0.0000 0.0000 34215.5251 -148973.2507 298.8127 -183188.7758 -148871.0721 299.4766 46.5650 79.4155 558530.3078 4.3935 4.2561 PRESSURE: 849200 -9.0035 36.711 174.083 36.7104 -143.59 146.987 174.085 146.988 -28.6082 GPRESSURE: 849200 42.4556 115.42 130.472 20.7047 -126.879 157.683 161.979 152.08 -11.4414 PRESSAVG: 849200 -13.7146 20.6524 14.5299 20.6524 -81.5058 31.5456 14.5299 31.5455 31.1871 GPRESSAVG: 849200 -14.228 20.3105 14.3946 19.9208 -81.4815 34.9014 12.8493 27.0253 32.059 TIMING: 849200 CPU: 2459.75, 0.00294197/step Wall: 2459.75, 0.00294197/step, 3.39209 hours remaining, 206.234375 MB of memory in use. ENERGY: 849200 834.9906 2132.4901 1960.6202 113.3752 -206399.1667 18023.2871 0.0000 0.0000 34237.6271 -149096.7763 299.0057 -183334.4034 -148992.9247 299.4620 -60.4007 -31.9550 558032.9969 -21.3444 -21.2168 PRESSURE: 849400 -135.391 23.4681 195.889 23.4682 103.54 66.492 195.888 66.4935 -14.5523 GPRESSURE: 849400 -111.201 -15.6476 146.08 -0.774793 168.331 83.3195 189.841 7.77376 -5.61385 PRESSAVG: 849400 -3.52955 37.4158 26.6282 37.4158 5.6163 72.0301 26.6281 72.0301 13.7093 GPRESSAVG: 849400 -4.75495 38.8023 27.3992 35.7536 7.21531 70.4213 27.5487 74.0449 13.5013 TIMING: 849400 CPU: 2460.34, 0.00294233/step Wall: 2460.34, 0.00294233/step, 3.39234 hours remaining, 206.234375 MB of memory in use. ENERGY: 849400 753.0228 2123.3699 1942.0925 104.8878 -206075.2682 17864.4339 0.0000 0.0000 34379.9134 -148907.5478 300.2483 -183287.4612 -148816.4242 299.6454 -15.4675 17.1719 557658.2997 5.2654 5.3206 PRESSURE: 849600 119.142 114.52 -22.352 114.52 123.678 74.8809 -22.3513 74.8798 154.661 GPRESSURE: 849600 171.957 123.478 -12.0471 101.028 124.709 126.346 -80.5976 61.532 191.125 PRESSAVG: 849600 53.7482 19.4341 16.9326 19.4341 -31.0051 38.1315 16.9327 38.1314 -14.2836 GPRESSAVG: 849600 55.5092 19.148 16.8536 23.2438 -33.1249 38.5743 17.2038 39.2422 -13.688 TIMING: 849600 CPU: 2460.92, 0.00293898/step Wall: 2460.92, 0.00293898/step, 3.38831 hours remaining, 206.234375 MB of memory in use. ENERGY: 849600 760.1471 2124.1908 1958.7294 107.7221 -206453.4391 18083.6674 0.0000 0.0000 34385.4356 -149033.5468 300.2966 -183418.9824 -148938.1410 300.0943 132.4935 162.5971 558895.4128 2.8199 2.8988 PRESSURE: 849800 47.3563 50.8397 -41.3882 50.8396 -198.403 -15.7415 -41.3892 -15.7411 -2.7541 GPRESSURE: 849800 70.7379 49.3938 26.6199 132.872 -110.663 -30.6861 13.393 -24.2269 -18.3848 PRESSAVG: 849800 4.48801 1.84832 -48.901 1.84826 -56.902 11.7741 -48.9011 11.7742 70.6969 GPRESSAVG: 849800 5.06453 1.24367 -49.1979 0.752249 -55.9522 10.7764 -47.4421 12.9483 69.5541 TIMING: 849800 CPU: 2461.51, 0.002908/step Wall: 2461.51, 0.002908/step, 3.35244 hours remaining, 206.234375 MB of memory in use. ENERGY: 849800 728.3046 2114.6588 1977.5042 106.1239 -205846.1472 17647.5418 0.0000 0.0000 34259.2635 -149012.7503 299.1947 -183272.0138 -148913.6097 300.0160 -51.2669 -19.4366 557897.2546 6.0943 6.2221 PRESSURE: 850000 106.44 117.788 160.511 117.788 2.20595 -153.463 160.51 -153.463 80.816 GPRESSURE: 850000 119.877 106.805 129.053 70.9914 72.8483 -182.616 135.125 -47.8223 93.7852 PRESSAVG: 850000 -16.9546 65.9174 -31.0977 65.9174 7.76909 -60.8034 -31.0977 -60.8034 38.0553 GPRESSAVG: 850000 -17.7991 66.4003 -29.829 64.9365 8.04043 -59.9708 -32.43 -60.8643 38.8795 TIMING: 850000 CPU: 2462.09, 0.00289821/step Wall: 2462.09, 0.00289821/step, 3.34099 hours remaining, 206.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 850000 772.6815 2077.0540 1967.0473 106.1540 -206603.3567 18210.6147 0.0000 0.0000 34336.3767 -149133.4286 299.8681 -183469.8053 -149041.2466 300.1130 63.1538 95.5036 558467.2531 9.6233 9.7070 PRESSURE: 850200 -90.318 -293.549 -79.798 -293.55 -118.283 29.4137 -79.7965 29.4137 67.703 GPRESSURE: 850200 -61.6589 -223.952 -43.2641 -251.394 -56.7361 -46.8272 -137.901 95.0316 63.6288 PRESSAVG: 850200 -21.955 -34.8422 -76.7324 -34.8422 -26.9265 -8.86212 -76.7324 -8.8622 5.16667 GPRESSAVG: 850200 -22.5452 -34.7823 -79.0661 -33.7168 -25.5733 -8.86933 -74.4446 -11.5641 3.85268 TIMING: 850200 CPU: 2462.67, 0.00289839/step Wall: 2462.67, 0.00289839/step, 3.34104 hours remaining, 206.234375 MB of memory in use. ENERGY: 850200 745.8790 2085.3443 1935.8322 113.8744 -206401.9672 17825.4448 0.0000 0.0000 34544.3469 -149151.2455 301.6844 -183695.5924 -149058.5624 300.2702 -46.9660 -18.2554 558322.8391 -14.5716 -14.7553 PRESSURE: 850400 174.758 -79.6596 -125.437 -79.6604 61.3542 -67.4368 -125.437 -67.4375 63.4169 GPRESSURE: 850400 197.805 -60.7616 -168.455 -147.767 163.354 12.9246 -79.6224 -106.5 43.006 PRESSAVG: 850400 -35.1629 36.4014 -8.58552 36.4013 30.9575 -4.25976 -8.58554 -4.25976 7.00056 GPRESSAVG: 850400 -34.6116 36.3081 -9.30637 34.6641 30.1154 -4.85452 -9.34426 -2.3399 7.45415 TIMING: 850400 CPU: 2463.24, 0.00288492/step Wall: 2463.24, 0.00288492/step, 3.32535 hours remaining, 206.234375 MB of memory in use. ENERGY: 850400 752.0846 2110.1602 1937.1121 109.2145 -206639.3664 18090.5211 0.0000 0.0000 34311.7667 -149328.5073 299.6532 -183640.2740 -149227.3994 299.4167 99.8432 134.7219 558313.7461 0.9317 0.9860 PRESSURE: 850600 198.207 227.021 -63.117 227.022 -240.672 12.4278 -63.1174 12.4278 -61.9439 GPRESSURE: 850600 167.005 269.422 -112.257 208.429 -125.107 21.4654 -12.8525 54.3478 -56.2425 PRESSAVG: 850600 -11.6101 -10.7047 -77.3157 -10.7048 33.4911 21.612 -77.3157 21.6121 -48.8534 GPRESSAVG: 850600 -12.1041 -12.1127 -77.5026 -8.47341 33.9817 21.7979 -78.5448 23.0521 -49.1707 TIMING: 850600 CPU: 2463.82, 0.0028806/step Wall: 2463.82, 0.0028806/step, 3.32021 hours remaining, 206.234375 MB of memory in use. ENERGY: 850600 752.4457 2095.0913 1930.1321 109.0330 -206363.3767 17839.1161 0.0000 0.0000 34124.1775 -149513.3810 298.0149 -183637.5585 -149417.4650 298.6639 -34.8030 -4.7813 558042.0882 -8.9908 -9.0977 PRESSURE: 850800 -31.4776 22.9072 -176.223 22.9068 -113.479 100.335 -176.223 100.334 -73.1406 GPRESSURE: 850800 0.567534 129.81 -172.056 -88.2438 -85.9241 93.8564 -123.151 174.51 -29.016 PRESSAVG: 850800 16.2059 -12.9261 -44.0335 -12.926 19.9065 23.0819 -44.0335 23.082 -30.3426 GPRESSAVG: 850800 18.0421 -10.9324 -41.3003 -16.2368 18.6101 23.1267 -43.8556 22.2989 -31.034 TIMING: 850800 CPU: 2464.39, 0.0028831/step Wall: 2464.39, 0.0028831/step, 3.32293 hours remaining, 206.234375 MB of memory in use. ENERGY: 850800 716.2460 2057.8594 1939.9213 107.3336 -206423.1988 17769.3714 0.0000 0.0000 34326.3370 -149506.1299 299.7804 -183832.4670 -149407.5212 298.3472 -72.6991 -38.1242 557792.0256 1.9233 1.8727 PRESSURE: 851000 -41.923 -231.842 -82.951 -231.844 -228.161 -23.4277 -82.9514 -23.4284 -276.108 GPRESSURE: 851000 30.3751 -248.995 -53.8143 -183.2 -208.28 10.7202 -54.6573 -62.96 -266.794 PRESSAVG: 851000 106.888 -67.1472 -36.7931 -67.1473 -40.3816 45.1513 -36.7932 45.1513 -42.5754 GPRESSAVG: 851000 106.214 -70.2466 -37.6933 -65.0451 -40.8445 44.3572 -35.7311 43.8862 -41.115 TIMING: 851000 CPU: 2464.98, 0.00291332/step Wall: 2464.98, 0.00291332/step, 3.3576 hours remaining, 206.234375 MB of memory in use. ENERGY: 851000 742.9104 2115.9636 1934.1830 103.3874 -206166.5131 17561.1343 0.0000 0.0000 34408.2512 -149300.6832 300.4958 -183708.9345 -149203.9786 298.5742 -182.0639 -148.2327 558604.7093 7.9769 8.0848 PRESSURE: 851200 -94.8834 -129.977 40.1723 -129.977 27.5279 20.3269 40.1728 20.3266 -239.538 GPRESSURE: 851200 -69.1914 -68.0997 93.1855 -177.766 80.3728 5.53529 -60.4402 -66.9027 -221.691 PRESSAVG: 851200 -15.196 -47.938 -21.3574 -47.938 3.04058 10.0951 -21.3574 10.0951 -20.4822 GPRESSAVG: 851200 -15.8812 -47.1035 -22.1445 -46.9437 3.28454 8.04792 -20.4325 10.5569 -19.8581 TIMING: 851200 CPU: 2465.56, 0.00291048/step Wall: 2465.56, 0.00291048/step, 3.35417 hours remaining, 206.234375 MB of memory in use. ENERGY: 851200 757.1566 2084.3264 1946.0620 120.7753 -205928.8042 17669.0114 0.0000 0.0000 34154.0540 -149197.4184 298.2758 -183351.4724 -149096.9299 299.2856 -102.2979 -70.1699 558268.7440 -10.8792 -10.8183 PRESSURE: 851400 68.0927 -82.5326 -100.052 -82.5318 90.166 108.206 -100.052 108.207 243.687 GPRESSURE: 851400 104.233 -53.8919 -127.815 -34.8741 118.466 161.723 -21.2464 115.618 277.777 PRESSAVG: 851400 -11.187 -31.3574 -5.77813 -31.3574 27.0808 27.7713 -5.77808 27.7712 -16.9707 GPRESSAVG: 851400 -10.9943 -29.5804 -4.57407 -31.4157 28.1457 27.7307 -6.73022 29.598 -17.8258 TIMING: 851400 CPU: 2466.14, 0.00291273/step Wall: 2466.14, 0.00291273/step, 3.3566 hours remaining, 206.234375 MB of memory in use. ENERGY: 851400 728.9984 2084.7912 1936.5152 116.4779 -206184.9701 18041.9571 0.0000 0.0000 34306.7518 -148969.4787 299.6094 -183276.2305 -148885.4026 299.4470 133.9820 166.8253 557800.7896 -0.3590 -0.2248 PRESSURE: 851600 -183.272 -23.9885 79.4002 -23.9887 -49.9992 31.9078 79.4 31.9072 -11.6028 GPRESSURE: 851600 -96.3216 45.7002 117.373 -44.4163 -27.717 75.8111 145.345 -32.1243 -26.2526 PRESSAVG: 851600 24.5925 14.0987 16.913 14.0987 -11.7366 38.4116 16.913 38.4117 -1.88151 GPRESSAVG: 851600 25.9055 13.3289 16.6809 13.5573 -12.9991 40.5649 16.0813 37.8287 -1.52786 TIMING: 851600 CPU: 2466.72, 0.00289875/step Wall: 2466.72, 0.00289875/step, 3.34033 hours remaining, 206.234375 MB of memory in use. ENERGY: 851600 751.7646 2067.5430 1923.5796 114.4457 -205927.1548 17647.8452 0.0000 0.0000 34434.8911 -148987.0855 300.7285 -183421.9766 -148891.5341 299.9364 -81.6246 -50.0971 558502.5971 3.6581 3.7929 PRESSURE: 851800 -44.6206 -9.09857 100.322 -9.09871 13.7397 -110.981 100.322 -110.982 -60.0013 GPRESSURE: 851800 -16.4113 -25.8391 69.524 -18.9201 34.8929 -112.819 193.713 -122.037 -20.4077 PRESSAVG: 851800 16.2883 -39.9698 42.9972 -39.9698 -59.6052 47.2305 42.9972 47.2304 50.6236 GPRESSAVG: 851800 16.0116 -39.4385 43.0441 -41.7034 -58.9866 47.382 44.1801 46.065 50.6019 TIMING: 851800 CPU: 2467.3, 0.00288992/step Wall: 2467.3, 0.00288992/step, 3.32999 hours remaining, 206.234375 MB of memory in use. ENERGY: 851800 739.5463 2120.2046 1919.0525 106.4294 -205971.5246 17698.7067 0.0000 0.0000 34470.3549 -148917.2302 301.0382 -183387.5851 -148820.5269 300.7084 -30.2940 -0.6420 557406.1175 2.4356 2.5423 PRESSURE: 852000 -234.447 -27.4369 -114.84 -27.436 136.846 -80.2621 -114.84 -80.2629 195.523 GPRESSURE: 852000 -207.23 71.9278 -96.8823 -74.2206 170.055 -80.5107 -102.144 -9.65211 227.776 PRESSAVG: 852000 -18.4905 57.2158 -11.9058 57.2157 -38.5955 2.17214 -11.9058 2.1722 50.9199 GPRESSAVG: 852000 -19.0779 57.1541 -12.5731 58.9753 -38.9028 2.08569 -13.6618 3.25462 51.9003 TIMING: 852000 CPU: 2467.87, 0.00287366/step Wall: 2467.87, 0.00287366/step, 3.31109 hours remaining, 206.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 852000 716.9634 2144.3596 1936.7080 120.2001 -205659.3823 17740.1154 0.0000 0.0000 34199.6877 -148801.3481 298.6744 -183001.0358 -148713.5556 299.7359 32.6408 63.5336 557763.9384 -2.0554 -2.0268 PRESSURE: 852200 14.1693 51.1696 28.5081 51.1703 -106.556 63.8455 28.5089 63.8446 124.095 GPRESSURE: 852200 19.0176 -66.0331 7.50013 64.021 -29.7849 19.8305 84.6855 111.587 132.604 PRESSAVG: 852200 6.67953 -20.6877 -4.7567 -20.6876 -39.9978 -4.19242 -4.75676 -4.19253 93.238 GPRESSAVG: 852200 5.23243 -21.7763 -4.58138 -21.7507 -38.2435 -6.15703 -3.57419 -4.19325 93.1488 TIMING: 852200 CPU: 2468.45, 0.00285857/step Wall: 2468.45, 0.00285857/step, 3.29354 hours remaining, 206.234375 MB of memory in use. ENERGY: 852200 733.6070 2093.4108 1910.3014 114.1351 -205732.4893 17742.4579 0.0000 0.0000 34545.0293 -148593.5478 301.6903 -183138.5770 -148502.1561 300.8807 10.5692 40.6121 556051.6618 19.9732 20.0459 LDB: ============= START OF LOAD BALANCING ============== 2471.83 LDB: ============== END OF LOAD BALANCING =============== 2471.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2471.83 LDB: ============= START OF LOAD BALANCING ============== 2472.12 LDB: Largest compute 4820 load 0.027717 is 23.5% of average load 0.117983 LDB: Average compute 0.001724 is 1.5% of average load 0.117983 LDB: TIME 2472.12 LOAD: AVG 0.117983 MAX 0.188263 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.027 MB LDB: TIME 2472.12 LOAD: AVG 0.117983 MAX 0.188263 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.027 MB LDB: TIME 2472.12 LOAD: AVG 0.117983 MAX 0.188263 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2472.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2472.13 PRESSURE: 852400 -141.741 -42.3484 148.148 -42.348 -34.155 5.83536 148.15 5.83732 -253.681 GPRESSURE: 852400 -99.1821 -84.5044 171.948 -17.8013 -35.1617 23.1541 190.227 38.0587 -195.266 PRESSAVG: 852400 -64.839 32.7068 -2.98282 32.7068 14.6639 -5.51633 -2.98281 -5.51617 59.1398 GPRESSAVG: 852400 -64.4872 33.9694 -2.87158 34.5568 13.3702 -4.29248 -2.68512 -6.04901 60.1084 TIMING: 852400 CPU: 2469.03, 0.00294101/step Wall: 2469.03, 0.00294101/step, 3.38837 hours remaining, 207.320312 MB of memory in use. ENERGY: 852400 751.5430 2088.7829 1943.3741 105.4199 -205302.8414 17482.4529 0.0000 0.0000 34531.8068 -148399.4619 301.5749 -182931.2686 -148298.1394 301.5065 -143.1923 -109.8700 559300.6667 2.9883 2.9971 PRESSURE: 852600 -209.238 -45.7299 86.7797 -45.7285 60.6938 157.685 86.7799 157.686 29.3308 GPRESSURE: 852600 -152.818 -10.5392 112.843 -95.9497 137.573 214.301 28.2516 6.60189 -8.43667 PRESSAVG: 852600 -91.268 -37.9504 27.7533 -37.9503 122.759 16.0864 27.7534 16.0863 -40.363 GPRESSAVG: 852600 -91.0868 -37.4219 28.9238 -40.0831 124.059 14.304 26.1083 16.4608 -42.0595 TIMING: 852600 CPU: 2469.62, 0.00290712/step Wall: 2469.62, 0.00290712/step, 3.34916 hours remaining, 207.320312 MB of memory in use. ENERGY: 852600 775.4247 2116.8783 1925.8499 125.1603 -205485.7395 17654.9965 0.0000 0.0000 34417.6630 -148469.7668 300.5780 -182887.4298 -148369.0041 301.8505 -39.7379 -7.8939 558493.6472 -2.9574 -3.0292 PRESSURE: 852800 7.29019 35.9033 -27.789 35.9031 164.318 142.461 -27.7879 142.463 21.3688 GPRESSURE: 852800 44.5922 20.9613 61.3991 41.1088 211.015 167.075 -47.9848 100.572 29.8884 PRESSAVG: 852800 -95.829 87.1644 -8.7534 87.1643 91.6402 31.6044 -8.75332 31.6044 -41.6794 GPRESSAVG: 852800 -95.6252 85.6145 -10.0632 88.2947 90.0989 34.0802 -9.39648 30.5653 -40.0464 TIMING: 852800 CPU: 2470.19, 0.00289285/step Wall: 2470.19, 0.00289285/step, 3.33256 hours remaining, 207.320312 MB of memory in use. ENERGY: 852800 731.3127 2055.5771 1900.7192 114.2719 -205421.6467 17807.7605 0.0000 0.0000 34432.2149 -148379.7905 300.7051 -182812.0053 -148289.4332 301.5527 64.3255 95.1653 558893.3204 -15.2894 -15.1909 PRESSURE: 853000 -121.132 24.9733 102.223 24.9733 87.5403 -100.316 102.223 -100.316 -158.523 GPRESSURE: 853000 -5.28789 5.71582 108.798 -4.30921 63.9671 -85.2684 81.2429 -88.8339 -149.176 PRESSAVG: 853000 -7.22334 24.9208 -36.3953 24.9208 44.3732 43.7736 -36.3954 43.7737 -55.6393 GPRESSAVG: 853000 -6.99255 24.5721 -35.178 25.7294 45.184 43.0075 -36.3723 43.7531 -56.4119 TIMING: 853000 CPU: 2470.78, 0.0029398/step Wall: 2470.78, 0.0029398/step, 3.38648 hours remaining, 207.320312 MB of memory in use. ENERGY: 853000 747.4699 2109.4824 1927.9487 111.8952 -205463.6145 17579.1116 0.0000 0.0000 34503.9080 -148483.7987 301.3312 -182987.7068 -148388.0837 301.4727 -64.0382 -30.1657 557829.1546 -6.1632 -6.0735 PRESSURE: 853200 -65.0483 50.6412 -78.1344 50.642 -5.30398 81.8786 -78.1331 81.8785 -23.97 GPRESSURE: 853200 -75.1296 58.0445 -51.3538 25.9284 19.4523 121.486 -115.347 72.2281 40.501 PRESSAVG: 853200 82.4392 -15.5247 4.28409 -15.5247 15.3116 23.6881 4.28412 23.6882 -91.8172 GPRESSAVG: 853200 81.0317 -14.641 2.08919 -15.1174 15.4892 23.2738 6.18801 24.5705 -91.0987 TIMING: 853200 CPU: 2471.37, 0.00291565/step Wall: 2471.37, 0.00291565/step, 3.3585 hours remaining, 207.320312 MB of memory in use. ENERGY: 853200 770.9747 2120.1559 1948.9015 120.6203 -205869.2643 17879.0851 0.0000 0.0000 34502.6000 -148526.9269 301.3198 -183029.5268 -148434.6411 301.1469 -31.4407 -5.0587 559086.8028 1.9779 1.8074 PRESSURE: 853400 114.989 -1.97862 42.6217 -1.97806 27.0305 -66.1112 42.6225 -66.1111 166.389 GPRESSURE: 853400 138.24 28.0248 9.67163 -16.638 55.7799 -91.8504 35.2595 -91.7865 199.822 PRESSAVG: 853400 -25.8161 -55.3093 -31.5548 -55.3093 -1.91051 27.0504 -31.5548 27.0504 15.8019 GPRESSAVG: 853400 -24.5052 -54.7707 -28.694 -55.3086 -2.62654 28.3213 -34.5701 25.5994 15.24 TIMING: 853400 CPU: 2471.95, 0.0029371/step Wall: 2471.95, 0.0029371/step, 3.38305 hours remaining, 207.320312 MB of memory in use. ENERGY: 853400 724.8488 2085.2546 1936.9696 113.0589 -205427.9933 17629.0296 0.0000 0.0000 34514.8628 -148423.9691 301.4269 -182938.8319 -148329.3312 300.8180 102.8028 131.2805 558040.1110 -3.9749 -3.9639 PRESSURE: 853600 -91.2107 -84.5064 -153.1 -84.5064 96.6761 142.983 -153.099 142.982 249.521 GPRESSURE: 853600 -77.6015 -33.265 -131.424 -164.566 156.796 108.499 -238.433 60.9482 274.626 PRESSAVG: 853600 18.8229 -26.8422 -28.5094 -26.8422 -21.2546 6.08892 -28.5094 6.08891 2.2204 GPRESSAVG: 853600 18.2674 -26.8656 -28.8428 -27.0179 -20.763 4.50847 -27.0387 7.84916 2.22849 TIMING: 853600 CPU: 2472.53, 0.00290159/step Wall: 2472.53, 0.00290159/step, 3.34199 hours remaining, 207.320312 MB of memory in use. ENERGY: 853600 754.6684 2061.2329 1941.6308 113.2188 -205736.0490 17938.4201 0.0000 0.0000 34575.0455 -148351.8324 301.9525 -182926.8779 -148253.1753 301.1915 84.9953 117.9403 558643.1960 -0.0704 -0.0890 PRESSURE: 853800 -26.8449 -22.0124 -3.67362 -22.0113 113.909 -4.18082 -3.67403 -4.18133 88.7649 GPRESSURE: 853800 -11.061 -72.0732 -20.4427 38.5676 108.191 -12.3909 49.6301 -49.9532 170.514 PRESSAVG: 853800 21.8666 7.17852 -42.0236 7.17852 22.5642 6.63157 -42.0237 6.63164 -36.3263 GPRESSAVG: 853800 21.4999 6.90801 -42.4898 6.43577 21.9795 5.7746 -41.6635 7.73392 -35.6417 TIMING: 853800 CPU: 2473.11, 0.00288996/step Wall: 2473.11, 0.00288996/step, 3.32843 hours remaining, 207.320312 MB of memory in use. ENERGY: 853800 740.1008 2034.3203 1927.7698 116.1046 -205412.5532 17746.3757 0.0000 0.0000 34437.7818 -148410.1001 300.7537 -182847.8819 -148304.7148 301.6246 58.6096 89.2145 558734.1445 2.7015 2.6125 PRESSURE: 854000 -283.602 29.7345 -118.383 29.7342 6.12146 85.2255 -118.385 85.2262 -33.8671 GPRESSURE: 854000 -258.04 62.1704 -168.497 25.7574 15.7499 53.0123 -104.792 74.4564 27.4333 PRESSAVG: 854000 -38.3855 24.3607 -36.3961 24.3607 -14.3982 51.0475 -36.3961 51.0474 -11.6954 GPRESSAVG: 854000 -38.8424 26.0851 -38.033 24.4755 -13.1638 51.7535 -35.5669 50.0693 -13.0901 TIMING: 854000 CPU: 2473.69, 0.00287729/step Wall: 2473.69, 0.00287729/step, 3.31368 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 854000 729.9110 2120.8388 1929.0215 108.6778 -205685.8657 17607.9296 0.0000 0.0000 34629.5696 -148559.9174 302.4286 -183189.4869 -148464.2700 301.4397 -103.7827 -71.6190 558138.2057 -21.4931 -21.6988 PRESSURE: 854200 112.887 20.6338 213.204 20.6339 -137.943 90.1932 213.204 90.1921 -270.814 GPRESSURE: 854200 132.1 44.8785 209.948 3.26497 -115.823 138.194 233.192 90.1412 -214.22 PRESSAVG: 854200 19.5898 -1.7388 13.7118 -1.73869 -10.5829 -31.295 13.7118 -31.295 41.9294 GPRESSAVG: 854200 20.3795 -3.46889 13.9893 -0.89813 -11.2302 -31.47 13.5546 -33.027 41.8887 TIMING: 854200 CPU: 2474.27, 0.00291554/step Wall: 2474.27, 0.00291554/step, 3.35757 hours remaining, 207.320312 MB of memory in use. ENERGY: 854200 753.9926 2106.4724 1947.1961 133.8136 -205731.7227 17566.2596 0.0000 0.0000 34669.2913 -148554.6971 302.7755 -183223.9884 -148452.7383 301.3209 -98.6233 -65.9811 557094.2534 16.9788 17.0126 PRESSURE: 854400 -107.6 15.235 98.3777 15.2349 -213.982 -62.9292 98.378 -62.9294 -351.303 GPRESSURE: 854400 -33.7798 -88.4362 96.1873 31.24 -202.411 -9.1698 83.5111 -77.3518 -362.472 PRESSAVG: 854400 -0.857668 37.7702 40.4623 37.7703 -37.2735 23.8288 40.4622 23.8288 64.4285 GPRESSAVG: 854400 0.466667 39.4844 40.3808 37.7635 -38.6629 23.4325 41.4121 24.0595 64.1368 TIMING: 854400 CPU: 2474.86, 0.00292541/step Wall: 2474.86, 0.00292541/step, 3.36877 hours remaining, 207.320312 MB of memory in use. ENERGY: 854400 749.3578 2097.5795 1936.7128 116.6185 -204922.0974 17345.8629 0.0000 0.0000 34130.3668 -148545.5992 298.0690 -182675.9659 -148453.8865 300.9832 -224.2950 -199.5543 558290.9029 8.7658 8.6469 PRESSURE: 854600 3.07707 122.331 -66.3718 122.331 -225.747 43.6573 -66.3707 43.6571 219.404 GPRESSURE: 854600 -27.2064 104.794 -61.7772 80.238 -178.684 -78.0548 -99.7868 29.7303 295.368 PRESSAVG: 854600 6.65611 6.31886 50.8829 6.31897 11.4242 -9.50218 50.883 -9.50225 26.2428 GPRESSAVG: 854600 5.966 4.1633 51.7634 8.30254 12.0083 -8.49262 48.0368 -9.61638 26.167 TIMING: 854600 CPU: 2475.43, 0.00287666/step Wall: 2475.43, 0.00287666/step, 3.31248 hours remaining, 207.320312 MB of memory in use. ENERGY: 854600 770.8890 2078.6205 1931.9849 115.3885 -205821.6871 17718.6281 0.0000 0.0000 34592.8589 -148613.3172 302.1080 -183206.1762 -148520.3476 300.5794 -1.0887 29.8258 557451.2998 14.7744 14.7138 PRESSURE: 854800 -125.523 83.1911 196.771 83.1918 -113.195 -27.062 196.771 -27.0632 -103.172 GPRESSURE: 854800 -75.7446 147.079 275.479 63.3357 -86.3183 -57.0246 57.3754 -48.9038 -99.0574 PRESSAVG: 854800 -84.1976 28.7629 10.4334 28.7628 43.6786 -25.344 10.4335 -25.3439 28.8115 GPRESSAVG: 854800 -84.7777 30.5198 11.4588 26.1941 43.3285 -25.5745 11.513 -24.7254 29.3311 TIMING: 854800 CPU: 2476, 0.00287222/step Wall: 2476, 0.00287222/step, 3.3072 hours remaining, 207.320312 MB of memory in use. ENERGY: 854800 774.2974 2075.3016 1951.0602 116.9217 -205509.7017 17665.9663 0.0000 0.0000 34379.9592 -148546.1953 300.2487 -182926.1545 -148458.7160 300.8908 -113.9637 -87.0401 558900.9035 -3.9025 -4.0394 PRESSURE: 855000 244.164 -55.4497 41.3524 -55.4498 102.662 44.0423 41.3532 44.0435 289.904 GPRESSURE: 855000 297.149 -35.1045 -40.8038 -116.831 117.625 55.0499 48.5377 29.3569 316.98 PRESSAVG: 855000 14.9626 52.2455 3.64364 52.2455 2.8552 18.8539 3.64363 18.8539 -56.2974 GPRESSAVG: 855000 14.3191 49.4637 1.03497 54.2964 3.41404 18.2424 3.73298 19.7414 -55.8138 TIMING: 855000 CPU: 2476.59, 0.00291048/step Wall: 2476.59, 0.00291048/step, 3.35109 hours remaining, 207.320312 MB of memory in use. ENERGY: 855000 765.3519 2050.6626 1942.0291 117.4218 -205781.7595 17948.5233 0.0000 0.0000 34378.4672 -148579.3036 300.2357 -182957.7708 -148480.3927 300.7852 212.2432 243.9179 557299.4777 -12.8265 -12.6936 PRESSURE: 855200 79.3642 57.5153 37.8561 57.5164 -209.223 107.705 37.8554 107.705 44.9213 GPRESSURE: 855200 70.8343 -0.407389 49.9362 87.0933 -120.355 28.4535 53.7603 124.794 54.8317 PRESSAVG: 855200 88.4931 5.5979 17.9081 5.59798 53.5803 41.7126 17.9082 41.7127 -92.5434 GPRESSAVG: 855200 90.5985 8.08074 20.1713 5.9436 53.2194 42.6767 18.1443 41.141 -94.0543 TIMING: 855200 CPU: 2477.17, 0.00292001/step Wall: 2477.17, 0.00292001/step, 3.36191 hours remaining, 207.320312 MB of memory in use. ENERGY: 855200 753.4486 2077.6453 1959.1438 117.9995 -205247.9010 17453.9970 0.0000 0.0000 34373.0105 -148512.6564 300.1880 -182885.6669 -148411.3222 300.8503 -28.3126 1.7705 558249.7399 16.5100 16.5878 PRESSURE: 855400 -36.8041 157.247 -106.673 157.247 82.2897 -78.5319 -106.675 -78.5319 -247.273 GPRESSURE: 855400 -26.9789 203.062 -14.5979 167.292 108.882 -37.7688 -178.063 -66.9995 -180.915 PRESSAVG: 855400 -3.87723 -2.80609 24.2612 -2.8061 22.8981 15.3069 24.2612 15.307 31.2072 GPRESSAVG: 855400 -5.4272 -3.04162 22.6932 -4.25287 22.4258 17.1296 23.3344 13.8488 33.4437 TIMING: 855400 CPU: 2477.76, 0.002921/step Wall: 2477.76, 0.002921/step, 3.36289 hours remaining, 207.320312 MB of memory in use. ENERGY: 855400 721.9765 2104.5075 1954.4118 111.3285 -205473.6212 17576.9235 0.0000 0.0000 34597.9255 -148406.5478 302.1523 -183004.4732 -148309.9828 300.7381 -67.2626 -33.0039 558896.1441 16.7427 16.8141 PRESSURE: 855600 104.885 -76.2455 -13.5407 -76.2448 -9.80411 138.988 -13.541 138.986 124.014 GPRESSURE: 855600 119.935 -17.0763 -0.49847 -38.5764 17.3735 71.7818 55.1312 149.62 177.661 PRESSAVG: 855600 -39.9558 9.94834 -21.1056 9.94842 -0.782038 56.149 -21.1056 56.149 10.5826 GPRESSAVG: 855600 -39.0036 8.48506 -19.9024 10.7593 -1.25975 53.7058 -19.9296 57.364 10.5148 TIMING: 855600 CPU: 2478.34, 0.00292698/step Wall: 2478.34, 0.00292698/step, 3.3696 hours remaining, 207.320312 MB of memory in use. ENERGY: 855600 749.1640 2110.8913 1957.8824 124.3864 -205881.5459 17878.2111 0.0000 0.0000 34589.3608 -148471.6500 302.0775 -183061.0108 -148375.7259 301.2282 73.0315 104.9899 557865.4928 -10.0517 -9.9162 PRESSURE: 855800 -232.975 165.987 5.01857 165.986 -119.468 104.994 5.01868 104.994 2.25967 GPRESSURE: 855800 -192.653 251.634 -1.49193 49.1403 -81.7336 100.841 10.7287 52.2812 10.4318 PRESSAVG: 855800 32.4975 4.7228 34.2258 4.72289 15.2386 -42.1346 34.2258 -42.1347 -61.2934 GPRESSAVG: 855800 32.652 6.29265 34.6541 2.63089 16.1703 -40.143 35.022 -41.8419 -61.9126 TIMING: 855800 CPU: 2478.93, 0.00292203/step Wall: 2478.93, 0.00292203/step, 3.36375 hours remaining, 207.320312 MB of memory in use. ENERGY: 855800 803.3363 2114.8803 1924.3979 103.6880 -205721.2487 17817.9427 0.0000 0.0000 34467.1613 -148489.8423 301.0103 -182957.0036 -148397.8648 301.3220 -116.7279 -87.9850 559531.0761 -4.5191 -4.3634 PRESSURE: 856000 -53.1601 -75.4189 -43.6526 -75.4181 6.31891 56.054 -43.6523 56.0543 -183.866 GPRESSURE: 856000 -2.0115 -60.8199 23.4168 -106.592 60.0196 -1.79706 -146.707 87.0882 -200.213 PRESSAVG: 856000 -28.3056 25.57 16.6174 25.57 19.0549 6.00553 16.6175 6.00556 3.41592 GPRESSAVG: 856000 -28.4433 25.462 15.58 27.1529 18.8813 4.40974 15.5561 6.23931 4.03067 TIMING: 856000 CPU: 2479.51, 0.00292626/step Wall: 2479.51, 0.00292626/step, 3.36845 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 856000 803.1313 2063.5361 1939.0886 106.2526 -205650.0137 17630.0596 0.0000 0.0000 34363.1669 -148744.7784 300.1021 -183107.9454 -148652.0518 300.8531 -76.9024 -47.4017 557593.2394 -1.9449 -1.8438 PRESSURE: 856200 -196.194 68.4559 -81.9164 68.4567 -324.717 232.393 -81.9175 232.392 -246.856 GPRESSURE: 856200 -125.98 97.3635 -169.637 56.3769 -271.465 238.257 -116.363 195.632 -262.072 PRESSAVG: 856200 82.773 9.19952 -24.5225 9.19946 -2.75162 -31.973 -24.5225 -31.9729 -50.9508 GPRESSAVG: 856200 81.9684 8.48976 -23.6989 10.1503 -1.63307 -30.7252 -25.3018 -31.9048 -51.2937 TIMING: 856200 CPU: 2480.09, 0.00290045/step Wall: 2480.09, 0.00290045/step, 3.33858 hours remaining, 207.320312 MB of memory in use. ENERGY: 856200 735.5129 2025.6065 1943.2698 112.4124 -205377.8193 17350.8077 0.0000 0.0000 34411.6758 -148798.5342 300.5257 -183210.2100 -148705.6015 300.2115 -255.9225 -219.8389 559137.7879 9.6902 9.6805 LDB: ============= START OF LOAD BALANCING ============== 2483.48 LDB: ============== END OF LOAD BALANCING =============== 2483.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2483.48 LDB: ============= START OF LOAD BALANCING ============== 2483.77 LDB: Largest compute 4820 load 0.027560 is 23.4% of average load 0.117934 LDB: Average compute 0.001712 is 1.5% of average load 0.117934 LDB: TIME 2483.77 LOAD: AVG 0.117934 MAX 0.185894 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.207 MB LDB: TIME 2483.77 LOAD: AVG 0.117934 MAX 0.185894 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.207 MB LDB: TIME 2483.77 LOAD: AVG 0.117934 MAX 0.185894 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.207 MB LDB: ============== END OF LOAD BALANCING =============== 2483.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2483.78 PRESSURE: 856400 -87.6569 26.8859 39.4225 26.8856 -163.771 115.148 39.422 115.147 -151.631 GPRESSURE: 856400 -42.677 71.4148 35.6744 33.5922 -77.4603 132.335 79.4693 166.584 -191.072 PRESSAVG: 856400 37.9471 -20.0083 -16.1912 -20.0083 39.8109 59.2332 -16.1912 59.2333 -48.2006 GPRESSAVG: 856400 37.9482 -18.6159 -16.3683 -19.5116 39.684 59.5734 -15.094 57.0354 -47.8405 TIMING: 856400 CPU: 2480.69, 0.00297508/step Wall: 2480.69, 0.00297508/step, 3.42432 hours remaining, 206.496094 MB of memory in use. ENERGY: 856400 726.7638 2105.9310 1956.9091 111.9358 -205509.9935 17489.9250 0.0000 0.0000 34244.2314 -148874.2974 299.0634 -183118.5288 -148783.5909 300.2851 -134.3528 -103.7364 557453.6733 9.8525 9.9306 PRESSURE: 856600 -21.423 101.481 50.7155 101.481 -170.849 109.641 50.7161 109.641 88.3891 GPRESSURE: 856600 51.6766 84.6563 72.2797 53.5987 -109.135 134.032 114.209 133.195 48.0399 PRESSAVG: 856600 62.3589 29.0198 -44.1683 29.0198 21.1435 40.2793 -44.1684 40.2794 -34.8697 GPRESSAVG: 856600 63.6563 27.8973 -44.4498 29.3218 20.8249 39.912 -43.9812 42.3571 -35.7638 TIMING: 856600 CPU: 2481.27, 0.00291001/step Wall: 2481.27, 0.00291001/step, 3.34926 hours remaining, 206.496094 MB of memory in use. ENERGY: 856600 763.5703 2087.1711 1944.3943 119.2689 -206041.4719 17650.0980 0.0000 0.0000 34482.3764 -148994.5928 301.1432 -183476.9692 -148904.1184 299.8263 -34.6278 -3.1395 556808.8158 16.2109 16.2391 PRESSURE: 856800 -91.4266 -50.393 4.2463 -50.3927 -35.7199 164.55 4.24765 164.551 -117.028 GPRESSURE: 856800 -88.8342 -48.4821 35.0601 -97.4487 34.8352 200.885 -7.40989 104.679 -90.277 PRESSAVG: 856800 59.6841 20.6077 -42.7546 20.6077 9.62434 16.7138 -42.7545 16.7137 -91.0663 GPRESSAVG: 856800 58.6421 21.432 -40.9559 18.406 10.1002 16.9726 -43.4909 16.6055 -90.5021 TIMING: 856800 CPU: 2481.85, 0.00290642/step Wall: 2481.85, 0.00290642/step, 3.34497 hours remaining, 206.496094 MB of memory in use. ENERGY: 856800 747.9175 2082.6793 1975.3510 117.8444 -205726.0715 17525.3043 0.0000 0.0000 34231.3977 -149045.5773 298.9513 -183276.9750 -148951.4406 299.8348 -81.3916 -48.0920 557180.6829 -7.2526 -7.2533 PRESSURE: 857000 141.721 -68.6945 -129.574 -68.694 -53.273 160.467 -129.574 160.467 -80.1424 GPRESSURE: 857000 140.313 6.20582 -101.489 -75.0686 -18.7027 156.995 -88.8582 193.698 -29.1067 PRESSAVG: 857000 -21.1291 13.9459 -35.4106 13.946 -24.2235 -17.323 -35.4106 -17.3231 63.2934 GPRESSAVG: 857000 -21.9896 14.279 -34.6005 15.9592 -24.0948 -17.6017 -37.1591 -18.025 63.7501 TIMING: 857000 CPU: 2482.43, 0.00291749/step Wall: 2482.43, 0.00291749/step, 3.35755 hours remaining, 206.496094 MB of memory in use. ENERGY: 857000 735.0162 2088.0092 1940.8621 119.4442 -206226.8136 17877.1479 0.0000 0.0000 34405.6596 -149060.6745 300.4732 -183466.3341 -148963.7352 299.6330 2.7685 30.8346 557835.9061 5.9803 5.8885 PRESSURE: 857200 23.8083 -105.28 -240.776 -105.278 -17.603 140.892 -240.775 140.892 -46.2862 GPRESSURE: 857200 73.8823 -39.5966 -242.78 -122.012 -3.38614 144.93 -241.58 77.3133 -34.6216 PRESSAVG: 857200 -8.95478 52.475 -23.8771 52.4751 -5.14152 68.1882 -23.8772 68.1882 -17.3263 GPRESSAVG: 857200 -6.78138 52.624 -24.1132 49.8438 -6.71688 68.0331 -23.9309 67.5338 -18.6422 TIMING: 857200 CPU: 2483.01, 0.00290038/step Wall: 2483.01, 0.00290038/step, 3.33769 hours remaining, 206.496094 MB of memory in use. ENERGY: 857200 726.6506 2109.4320 1935.7749 100.5977 -205704.8423 17561.3355 0.0000 0.0000 34088.0301 -149183.0216 297.6992 -183271.0517 -149084.7692 299.1831 -13.3603 11.9582 557370.5825 -10.4742 -10.7135 PRESSURE: 857400 -161.304 87.5306 20.9667 87.5303 18.966 216.239 20.9667 216.238 17.8134 GPRESSURE: 857400 -67.316 98.6143 15.3479 192.017 37.5934 212.977 76.922 189.068 -2.57973 PRESSAVG: 857400 82.7954 -8.90887 15.7092 -8.90892 -12.0527 24.1216 15.7091 24.1215 -57.4724 GPRESSAVG: 857400 83.0755 -9.25171 13.5105 -6.92804 -12.5676 22.0823 18.9979 27.4281 -57.1804 TIMING: 857400 CPU: 2483.59, 0.00289389/step Wall: 2483.59, 0.00289389/step, 3.33007 hours remaining, 206.496094 MB of memory in use. ENERGY: 857400 731.6538 2034.4891 1943.7111 107.9649 -206051.1758 17687.3348 0.0000 0.0000 34445.4550 -149100.5671 300.8207 -183546.0220 -149001.1179 299.1962 -41.5082 -10.7674 557629.3343 4.4235 4.4425 PRESSURE: 857600 -63.8472 -122.256 180.043 -122.255 99.3211 86.8851 180.043 86.8849 -181.678 GPRESSURE: 857600 6.57271 -154.293 226.56 -86.7981 61.6266 54.69 135.761 90.1614 -123.014 PRESSAVG: 857600 -8.65518 19.3832 3.95908 19.3832 26.4068 28.8152 3.95916 28.8152 -43.7887 GPRESSAVG: 857600 -7.98067 19.5816 5.77088 19.4256 27.0051 30.496 0.677559 25.0442 -44.8895 TIMING: 857600 CPU: 2484.17, 0.00290401/step Wall: 2484.17, 0.00290401/step, 3.34155 hours remaining, 206.496094 MB of memory in use. ENERGY: 857600 758.9577 2105.8881 1935.5613 112.0039 -205890.9223 17580.4517 0.0000 0.0000 34263.1629 -149134.8966 299.2287 -183398.0595 -149039.2845 300.0362 -48.7347 -18.2715 556988.5286 -8.6790 -8.6217 PRESSURE: 857800 -94.5566 -90.8214 140.671 -90.8219 -153.236 27.2188 140.673 27.2182 75.0067 GPRESSURE: 857800 -61.5234 -111.735 114.526 -109.86 -215.562 147.662 115.01 -47.2956 203.352 PRESSAVG: 857800 38.9881 -24.8652 40.9478 -24.8652 -46.5926 6.40839 40.9479 6.40833 6.68896 GPRESSAVG: 857800 37.9681 -27.1479 39.3099 -25.4795 -48.1291 5.59514 42.8571 9.00269 9.23238 TIMING: 857800 CPU: 2484.75, 0.00290866/step Wall: 2484.75, 0.00290866/step, 3.34674 hours remaining, 206.496094 MB of memory in use. ENERGY: 857800 739.9576 2072.7114 1937.5313 117.0206 -205990.9987 17747.7569 0.0000 0.0000 34129.8321 -149246.1888 298.0643 -183376.0208 -149146.8897 299.8911 -57.5952 -24.5777 557756.5977 -0.3052 -0.3095 PRESSURE: 858000 -7.36651 -31.6489 57.5145 -31.6484 161.54 107.683 57.5149 107.684 101.792 GPRESSURE: 858000 22.3455 -64.6457 83.1964 21.4028 224.434 79.9063 70.7885 125.596 94.7795 PRESSAVG: 858000 -31.7352 -20.2453 58.6588 -20.2453 38.1462 19.908 58.6589 19.9079 -12.9431 GPRESSAVG: 858000 -31.9561 -19.2677 59.8202 -19.9525 39.7199 19.6559 58.4246 20.4308 -14.3835 TIMING: 858000 CPU: 2485.33, 0.00287972/step Wall: 2485.33, 0.00287973/step, 3.31328 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 858000 720.0445 2083.7146 1978.8770 128.7746 -206149.9564 17720.1406 0.0000 0.0000 34041.1190 -149477.2862 297.2896 -183518.4052 -149382.7641 298.3738 85.3219 113.8530 555752.4180 -2.1773 -2.2066 PRESSURE: 858200 -10.4038 -142.776 -58.2224 -142.774 -371.467 -105.931 -58.2217 -105.931 -25.2384 GPRESSURE: 858200 -91.1029 -63.5702 -108.641 -87.8103 -318.746 -111.133 -18.1243 -107.018 87.881 PRESSAVG: 858200 -20.6122 -45.5192 -0.83546 -45.5192 46.2782 -32.9007 -0.835464 -32.9006 -52.3018 GPRESSAVG: 858200 -22.1977 -43.848 -1.96276 -45.9862 46.3235 -35.1619 1.67019 -34.3748 -50.8049 TIMING: 858200 CPU: 2485.91, 0.00291483/step Wall: 2485.91, 0.00291483/step, 3.35351 hours remaining, 206.496094 MB of memory in use. ENERGY: 858200 703.6503 2059.3185 1942.6314 110.8709 -206115.2030 17504.5365 0.0000 0.0000 34251.4778 -149542.7177 299.1267 -183794.1955 -149453.0715 298.2426 -135.7029 -107.3227 556701.7025 -8.8786 -8.8930 PRESSURE: 858400 109.994 29.4359 32.3749 29.4362 104.057 -111.527 32.375 -111.527 -294.64 GPRESSURE: 858400 131.469 8.55799 18.4666 57.2114 77.3622 -12.168 61.7995 -131.829 -199.545 PRESSAVG: 858400 -20.7744 17.109 -16.0281 17.109 -2.6139 -15.9796 -16.0283 -15.9796 27.4597 GPRESSAVG: 858400 -19.9001 18.9876 -16.8395 16.8776 -2.57915 -14.0986 -17.3036 -16.8677 26.5064 TIMING: 858400 CPU: 2486.49, 0.00289892/step Wall: 2486.49, 0.00289892/step, 3.33504 hours remaining, 206.496094 MB of memory in use. ENERGY: 858400 742.5157 2078.9579 1940.0918 107.1734 -206180.4265 17814.7033 0.0000 0.0000 33946.8384 -149550.1459 296.4662 -183496.9843 -149462.3085 297.3791 -26.8631 3.0953 557344.8146 1.3571 1.3424 PRESSURE: 858600 -42.5573 15.5929 -32.3786 15.5931 -15.1182 -85.5231 -32.3781 -85.523 -25.2096 GPRESSURE: 858600 33.1602 91.724 23.5104 9.09351 12.4217 -129.177 32.0943 -33.3759 -21.5825 PRESSAVG: 858600 33.1619 -21.8653 72.2591 -21.8653 43.4526 -69.8999 72.2591 -69.8999 -51.1178 GPRESSAVG: 858600 32.7281 -24.4402 74.8859 -22.413 43.657 -69.5879 70.6296 -66.7497 -50.7928 TIMING: 858600 CPU: 2487.07, 0.0029095/step Wall: 2487.07, 0.0029095/step, 3.34706 hours remaining, 206.496094 MB of memory in use. ENERGY: 858600 724.7398 2007.2997 1957.6963 115.9872 -206130.6478 17714.1889 0.0000 0.0000 33983.6066 -149627.1294 296.7873 -183610.7360 -149533.1003 297.3580 -27.6284 7.9998 556106.8731 8.4989 8.5308 PRESSURE: 858800 15.0641 135.342 9.56484 135.343 -153.239 -123.438 9.56479 -123.438 13.925 GPRESSURE: 858800 91.7403 70.5307 75.6926 162.385 -116.852 -106.864 -49.8037 -152.99 -2.2712 PRESSAVG: 858800 1.67636 12.3901 48.369 12.3901 44.3637 -50.3814 48.3691 -50.3814 -26.1241 GPRESSAVG: 858800 2.9826 11.0121 46.5133 13.0704 43.8272 -50.4563 47.9486 -52.851 -26.7034 TIMING: 858800 CPU: 2487.65, 0.00289579/step Wall: 2487.65, 0.00289579/step, 3.33113 hours remaining, 206.496094 MB of memory in use. ENERGY: 858800 765.9912 2096.6728 1978.9237 106.7243 -206635.6839 17968.7761 0.0000 0.0000 34094.1595 -149624.4364 297.7528 -183718.5958 -149524.0220 298.0447 -41.4167 -9.1278 556435.7088 6.6387 6.7021 PRESSURE: 859000 -23.9724 55.6718 -121.971 55.6706 -49.6727 -62.27 -121.972 -62.2716 -78.9274 GPRESSURE: 859000 1.04774 145.85 -157.413 -42.3984 15.7383 -64.5159 -85.9324 -70.7255 -70.6405 PRESSAVG: 859000 -4.85798 61.9517 7.72438 61.9516 49.9547 -32.3868 7.72429 -32.3869 -24.2099 GPRESSAVG: 859000 -5.87531 64.5594 9.27665 59.4747 50.9121 -33.4206 8.92517 -31.0923 -24.1112 TIMING: 859000 CPU: 2488.23, 0.00290246/step Wall: 2488.23, 0.00290246/step, 3.33864 hours remaining, 206.496094 MB of memory in use. ENERGY: 859000 716.9598 2087.9597 1962.2739 114.6461 -206265.2405 17852.2824 0.0000 0.0000 33898.8242 -149632.2943 296.0469 -183531.1185 -149535.6269 297.7126 -50.8575 -17.9515 556838.0703 6.9623 6.9752 PRESSURE: 859200 -256.694 -178.251 19.3789 -178.249 -166.927 82.0848 19.3799 82.0832 -46.4667 GPRESSURE: 859200 -251.491 -117.351 88.4784 -235.326 -100.068 92.2781 18.8087 138.953 -10.9819 PRESSAVG: 859200 28.3625 36.7138 19.8864 36.7138 -6.62815 10.288 19.8865 10.2881 -18.7012 GPRESSAVG: 859200 27.2868 36.6122 18.1067 38.5941 -6.88822 10.5472 18.5587 8.2812 -17.3221 TIMING: 859200 CPU: 2488.81, 0.002895/step Wall: 2488.81, 0.002895/step, 3.32989 hours remaining, 206.496094 MB of memory in use. ENERGY: 859200 736.8061 2074.0794 1939.9703 108.4494 -206618.0650 17666.0328 0.0000 0.0000 34154.4586 -149938.2683 298.2794 -184092.7269 -149841.3073 298.0878 -156.6960 -120.8469 557429.9835 1.0111 1.0255 PRESSURE: 859400 -70.9553 72.6599 -73.1103 72.6602 -129.015 60.7342 -73.1108 60.7362 -86.985 GPRESSURE: 859400 -47.0775 29.575 -40.9473 111.356 -97.1973 58.2093 -64.4833 69.5787 -48.1278 PRESSAVG: 859400 48.3618 12.6034 -8.77021 12.6035 -30.723 34.3195 -8.77021 34.3194 4.92028 GPRESSAVG: 859400 48.8968 9.39392 -9.34333 16.0454 -30.5162 35.9814 -5.12717 34.8219 3.50393 TIMING: 859400 CPU: 2489.39, 0.00287788/step Wall: 2489.39, 0.00287788/step, 3.31004 hours remaining, 206.496094 MB of memory in use. ENERGY: 859400 733.8428 2123.3209 1911.2144 110.0317 -206443.8451 17684.9905 0.0000 0.0000 34031.1158 -149849.3291 297.2022 -183880.4448 -149757.7129 297.5439 -95.6516 -64.1342 557703.2560 7.5197 7.2949 PRESSURE: 859600 -32.0529 -62.073 14.2842 -62.0731 115.597 29.0373 14.285 29.0374 -146.807 GPRESSURE: 859600 -23.1538 -61.5567 -24.9316 -84.4166 126.862 10.3714 116.002 56.8251 -69.8181 PRESSAVG: 859600 35.9378 -7.62767 -0.40064 -7.62764 -6.02313 16.8015 -0.400681 16.8014 -29.4274 GPRESSAVG: 859600 35.4829 -5.81372 -0.555326 -9.11103 -5.19311 16.2231 -1.57445 18.0489 -29.5604 TIMING: 859600 CPU: 2489.97, 0.00290382/step Wall: 2489.97, 0.00290382/step, 3.33972 hours remaining, 206.496094 MB of memory in use. ENERGY: 859600 749.1351 2052.3237 1961.3642 94.6234 -206930.1005 18037.4827 0.0000 0.0000 34203.5382 -149831.6331 298.7080 -184035.1713 -149732.0344 297.5295 -21.0878 11.2967 557301.7018 0.1624 0.2431 PRESSURE: 859800 -114.505 24.3872 -33.8676 24.3858 156.159 94.7905 -33.8668 94.7905 -106.35 GPRESSURE: 859800 -100.098 47.078 -30.4697 38.106 232.05 259.838 -46.506 110.853 -90.0141 PRESSAVG: 859800 19.9719 -54.8223 25.3567 -54.8223 60.5525 -31.0995 25.3567 -31.0995 -56.8237 GPRESSAVG: 859800 21.3004 -54.5097 26.5469 -56.3439 60.4669 -29.267 25.764 -31.6121 -57.3481 TIMING: 859800 CPU: 2490.55, 0.00290421/step Wall: 2490.55, 0.00290421/step, 3.34001 hours remaining, 206.496094 MB of memory in use. ENERGY: 859800 752.7702 2087.6825 1938.6994 105.4136 -206553.5306 17908.8605 0.0000 0.0000 34119.8389 -149640.2655 297.9770 -183760.1044 -149539.7483 297.8921 -21.5654 13.9794 558108.2878 7.9003 8.1398 PRESSURE: 860000 -125.414 -255.484 70.3414 -255.483 -115.168 -45.5916 70.3414 -45.5935 -3.06366 GPRESSURE: 860000 -110.077 -209.638 131.405 -227.763 -72.011 -28.9213 68.9069 -43.4667 38.9132 PRESSAVG: 860000 28.8729 -10.3378 -2.36082 -10.3378 -45.9908 44.7707 -2.36085 44.7706 6.14109 GPRESSAVG: 860000 28.8463 -8.54464 -2.17916 -9.8399 -46.7476 42.4591 -5.2561 45.092 6.76978 TIMING: 860000 CPU: 2491.13, 0.00290131/step Wall: 2491.13, 0.00290131/step, 3.3365 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 860000 736.3747 2128.4958 1927.6297 120.7227 -206356.2417 17722.6809 0.0000 0.0000 34083.3283 -149637.0096 297.6582 -183720.3379 -149536.1667 297.8995 -81.2155 -47.7250 556968.7640 -3.6589 -3.7105 PRESSURE: 860200 -243.488 176.312 -155.344 176.311 -153.465 -49.8199 -155.341 -49.8204 -378.879 GPRESSURE: 860200 -174.043 113.374 -1.96716 146.782 -162.125 -59.7419 -232.6 -67.7755 -339.602 PRESSAVG: 860200 -9.12952 -19.4332 64.4173 -19.4332 27.8553 -28.915 64.4174 -28.915 28.5396 GPRESSAVG: 860200 -10.5455 -20.6207 63.5326 -19.7183 29.3077 -31.2553 66.2984 -28.5338 28.6146 TIMING: 860200 CPU: 2491.71, 0.00291181/step Wall: 2491.71, 0.00291181/step, 3.34842 hours remaining, 206.496094 MB of memory in use. ENERGY: 860200 748.1247 2067.8080 1951.5043 119.1383 -205900.7929 17368.8497 0.0000 0.0000 34078.4599 -149566.9080 297.6157 -183645.3679 -149468.8578 297.7794 -258.6109 -225.2567 557225.2800 15.7551 15.7923 LDB: ============= START OF LOAD BALANCING ============== 2495.1 LDB: ============== END OF LOAD BALANCING =============== 2495.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2495.1 LDB: ============= START OF LOAD BALANCING ============== 2495.39 LDB: Largest compute 4820 load 0.027160 is 23.0% of average load 0.117945 LDB: Average compute 0.001725 is 1.5% of average load 0.117945 LDB: TIME 2495.39 LOAD: AVG 0.117945 MAX 0.185773 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.008 MB LDB: TIME 2495.39 LOAD: AVG 0.117945 MAX 0.185773 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.207 MB LDB: TIME 2495.39 LOAD: AVG 0.117945 MAX 0.185773 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.207 MB LDB: ============== END OF LOAD BALANCING =============== 2495.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2495.4 PRESSURE: 860400 -77.7173 -132.427 -179.212 -132.426 -215.385 128.703 -179.212 128.705 48.203 GPRESSURE: 860400 -96.2021 -129.331 -251.945 -171.86 -158.773 128.458 -105.139 58.1214 111.139 PRESSAVG: 860400 -22.2106 27.334 -5.46831 27.3342 34.2138 -40.5984 -5.46829 -40.5982 1.27138 GPRESSAVG: 860400 -21.4481 25.573 -5.15337 29.0027 34.196 -38.2811 -7.80058 -41.9103 -0.0653683 TIMING: 860400 CPU: 2492.3, 0.00293853/step Wall: 2492.3, 0.00293853/step, 3.37898 hours remaining, 209.800781 MB of memory in use. ENERGY: 860400 803.8998 2102.6940 1956.3430 101.6273 -206332.1019 17750.0268 0.0000 0.0000 34074.0429 -149543.4683 297.5771 -183617.5111 -149445.9115 297.6873 -81.6331 -47.9454 555728.3053 4.4249 4.2275 PRESSURE: 860600 104.881 -110.581 -61.5983 -110.581 -265.044 -56.0664 -61.5983 -56.0678 -206.032 GPRESSURE: 860600 128.873 -128.154 -85.1934 -66.1593 -215.077 -89.1864 12.394 -0.409889 -178.84 PRESSAVG: 860600 0.721737 10.2812 -15.6948 10.2811 -47.6546 27.8443 -15.6947 27.8442 45.6451 GPRESSAVG: 860600 0.386871 11.0217 -16.9284 9.53925 -48.3757 29.5209 -11.9084 25.8728 47.1291 TIMING: 860600 CPU: 2492.88, 0.00291198/step Wall: 2492.88, 0.00291198/step, 3.34829 hours remaining, 210.070312 MB of memory in use. ENERGY: 860600 782.6993 2099.4087 1938.2302 114.1691 -206310.8735 17748.0904 0.0000 0.0000 34182.5036 -149445.7722 298.5243 -183628.2757 -149340.8796 298.2325 -122.0650 -88.3478 559022.2646 -0.4293 -0.2866 PRESSURE: 860800 -380.994 -101.514 -28.6242 -101.514 -140.078 145.024 -28.6259 145.024 -218.951 GPRESSURE: 860800 -344.55 -98.9855 -42.0594 -45.8566 -122.064 194.686 -18.7848 170.174 -180.462 PRESSAVG: 860800 -57.0325 -45.0481 1.39313 -45.0481 -14.1177 -24.6561 1.39308 -24.6562 58.7197 GPRESSAVG: 860800 -56.379 -44.3397 3.11244 -44.6194 -13.985 -26.9828 -0.0101838 -20.3936 58.7121 TIMING: 860800 CPU: 2493.46, 0.0029042/step Wall: 2493.46, 0.0029042/step, 3.33918 hours remaining, 210.070312 MB of memory in use. ENERGY: 860800 733.0215 2090.4224 1954.1134 99.2074 -205677.3038 17403.7587 0.0000 0.0000 34156.7244 -149240.0559 298.2992 -183396.7803 -149140.6913 298.7446 -246.6746 -215.6919 559871.3357 -4.1435 -3.8840 PRESSURE: 861000 -179.929 12.9607 -3.54491 12.9608 -39.6795 -140.874 -3.54416 -140.876 -28.8303 GPRESSURE: 861000 -203.949 -48.2568 -14.3686 15.6442 56.3336 -44.5683 -10.9773 -206.86 14.8589 PRESSAVG: 861000 -14.0513 -50.8303 -52.2359 -50.8304 37.0853 18.8649 -52.2359 18.8649 -24.4581 GPRESSAVG: 861000 -13.5721 -52.9181 -51.7025 -50.6385 37.3347 19.1425 -53.5191 18.5096 -25.1296 TIMING: 861000 CPU: 2494.04, 0.00289579/step Wall: 2494.04, 0.00289579/step, 3.32936 hours remaining, 210.070312 MB of memory in use. ENERGY: 861000 770.0938 2130.7402 1984.1869 119.9086 -205984.0165 17712.7699 0.0000 0.0000 34156.9615 -149109.3557 298.3012 -183266.3171 -149018.0561 299.1375 -82.8129 -44.2522 559002.0716 -0.4747 -0.4556 PRESSURE: 861200 -259.193 -15.9002 -22.3871 -15.8994 10.6981 141.947 -22.3854 141.947 -115.651 GPRESSURE: 861200 -224.927 55.7827 -163.587 -44.7669 8.46627 164.273 51.224 52.6671 -52.1322 PRESSAVG: 861200 -17.7108 34.0573 -2.53094 34.0573 1.34307 -50.7288 -2.53081 -50.7287 -5.60001 GPRESSAVG: 861200 -18.6516 34.8697 -4.05585 32.8464 1.06217 -50.7355 -2.29087 -53.0276 -4.5735 TIMING: 861200 CPU: 2494.62, 0.00291119/step Wall: 2494.62, 0.00291119/step, 3.3469 hours remaining, 210.070312 MB of memory in use. ENERGY: 861200 749.2100 2082.5298 1935.2113 125.1747 -205931.0076 17669.9911 0.0000 0.0000 34201.9228 -149166.9679 298.6939 -183368.8907 -149073.4591 299.7261 -121.3820 -89.5310 558429.8336 -7.3226 -7.3877 PRESSURE: 861400 139.694 -26.7566 10.7791 -26.7561 19.4003 19.8476 10.7795 19.8482 -8.11381 GPRESSURE: 861400 167.074 -5.54586 100.541 -162.255 82.1231 52.5058 -27.6097 5.173 -21.7348 PRESSAVG: 861400 -76.5828 42.0681 -39.2942 42.0681 45.5651 1.39562 -39.2941 1.39564 24.9952 GPRESSAVG: 861400 -76.1805 44.1072 -38.6054 40.1835 46.3227 0.0432158 -39.5499 2.1907 23.3111 TIMING: 861400 CPU: 2495.2, 0.00289355/step Wall: 2495.2, 0.00289355/step, 3.32646 hours remaining, 210.273438 MB of memory in use. ENERGY: 861400 747.6758 2081.2698 1930.8935 125.5617 -205933.6588 17849.6968 0.0000 0.0000 34022.4967 -149176.0646 297.1269 -183198.5613 -149081.5031 299.6193 50.3268 75.8209 558040.1787 -2.0075 -2.1823 PRESSURE: 861600 -86.9596 127.928 -60.2986 127.929 -216.984 -49.4814 -60.2989 -49.4813 117.639 GPRESSURE: 861600 -145.583 151.774 -109.544 127.415 -164.222 -132.732 -95.0217 -90.4962 216.067 PRESSAVG: 861600 -32.0567 -45.4254 -2.8244 -45.4255 -59.9818 25.0389 -2.82447 25.0389 49.5917 GPRESSAVG: 861600 -32.7031 -47.8957 -2.77036 -43.1198 -60.1478 25.3891 -2.73169 24.7487 50.4409 TIMING: 861600 CPU: 2495.78, 0.00289316/step Wall: 2495.78, 0.00289316/step, 3.32585 hours remaining, 210.273438 MB of memory in use. ENERGY: 861600 740.0436 2084.6517 1938.9662 107.6150 -206164.0556 17709.8666 0.0000 0.0000 34459.6750 -149123.2375 300.9449 -183582.9125 -149026.0480 299.4297 -62.1017 -31.2461 556822.6858 -14.1489 -14.1367 PRESSURE: 861800 -221.597 13.7804 -60.0172 13.7803 -126.567 43.1442 -60.0182 43.1436 32.6817 GPRESSURE: 861800 -190.386 10.5178 -65.9058 -63.6218 -127.832 6.43506 -4.8056 68.5594 114.096 PRESSAVG: 861800 -25.6036 -1.13172 16.743 -1.13161 19.8737 9.147 16.743 9.14715 55.596 GPRESSAVG: 861800 -26.1328 0.756226 16.0034 -2.03033 19.8642 9.58529 16.1339 7.60147 56.081 TIMING: 861800 CPU: 2496.36, 0.00290903/step Wall: 2496.36, 0.00290903/step, 3.34394 hours remaining, 210.273438 MB of memory in use. ENERGY: 861800 745.6247 2059.1718 1931.3884 113.2665 -206236.6560 17726.5715 0.0000 0.0000 34316.2172 -149344.4158 299.6921 -183660.6331 -149242.5100 299.3937 -105.1607 -68.0409 556806.6236 16.6220 16.6041 PRESSURE: 862000 129.171 -93.2042 -145.654 -93.2036 -218.51 -191.19 -145.655 -191.189 -133.931 GPRESSURE: 862000 147.312 -69.495 -222.616 -47.4861 -179.087 -214.579 -91.3553 -205.05 -93.6543 PRESSAVG: 862000 -22.9819 0.341926 -4.52303 0.341863 -4.55358 -14.1614 -4.52306 -14.1616 43.9137 GPRESSAVG: 862000 -22.8916 -0.0100925 -3.93211 1.32494 -4.21518 -14.7551 -3.70446 -12.7762 43.5176 TIMING: 862000 CPU: 2496.95, 0.00291303/step Wall: 2496.95, 0.00291303/step, 3.34836 hours remaining, 210.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 862000 767.3072 2092.2214 1946.0179 114.6135 -206259.5606 17756.5335 0.0000 0.0000 34272.8484 -149310.0186 299.3133 -183582.8671 -149212.7046 299.0718 -74.4234 -41.8096 557693.5212 5.4594 5.4703 PRESSURE: 862200 -95.18 -255.308 5.31475 -255.309 42.4293 105.537 5.31526 105.539 272.798 GPRESSURE: 862200 -73.8506 -258.836 15.835 -296.69 100.216 147.401 74.2888 62.2288 295.118 PRESSAVG: 862200 31.6663 -26.745 25.6482 -26.745 -38.9833 1.48389 25.6481 1.48393 -8.55083 GPRESSAVG: 862200 31.7335 -28.4018 25.2445 -27.125 -39.2071 3.92084 26.7057 0.192993 -8.43257 TIMING: 862200 CPU: 2497.53, 0.00291589/step Wall: 2497.53, 0.00291589/step, 3.3515 hours remaining, 210.273438 MB of memory in use. ENERGY: 862200 745.1997 2099.1427 1939.0748 111.2678 -206538.1641 17902.3635 0.0000 0.0000 34451.3391 -149289.7766 300.8721 -183741.1157 -149194.3217 298.7276 73.3491 107.1612 556837.2047 -5.2893 -5.3020 PRESSURE: 862400 -238.983 50.6303 157.419 50.6306 -350.888 208.495 157.42 208.495 49.8432 GPRESSURE: 862400 -165.596 98.9541 83.8436 53.5419 -345.037 172.131 144.578 150.873 62.4223 PRESSAVG: 862400 15.5949 -79.7291 32.1618 -79.7291 29.6976 7.40874 32.162 7.40877 -12.238 GPRESSAVG: 862400 15.6844 -78.5479 31.037 -80.0883 29.7918 7.34316 31.0376 7.40018 -13.0864 TIMING: 862400 CPU: 2498.11, 0.00292057/step Wall: 2498.11, 0.00292057/step, 3.35671 hours remaining, 210.273438 MB of memory in use. ENERGY: 862400 771.6413 2038.0532 1927.0122 107.6171 -206258.3849 17710.2736 0.0000 0.0000 34211.5008 -149492.2868 298.7775 -183703.7876 -149392.4819 299.0746 -180.0090 -149.4037 558346.5980 11.0181 10.7966 PRESSURE: 862600 21.9729 97.9165 -218.911 97.9165 -85.7812 -23.1425 -218.912 -23.142 76.2097 GPRESSURE: 862600 39.2053 73.7512 -159.712 79.5827 -85.8564 34.5796 -221.981 -56.1679 143.651 PRESSAVG: 862600 35.6402 -75.598 -4.0229 -75.598 -26.5408 65.5898 -4.02293 65.5897 -16.4742 GPRESSAVG: 862600 36.0151 -73.544 -2.32178 -75.5301 -26.4222 63.4969 -3.31034 67.4758 -16.939 TIMING: 862600 CPU: 2498.69, 0.00287042/step Wall: 2498.69, 0.00287042/step, 3.29891 hours remaining, 210.273438 MB of memory in use. ENERGY: 862600 727.5645 2113.2316 1941.5051 118.0017 -206475.0911 17721.6551 0.0000 0.0000 34206.7284 -149646.4047 298.7359 -183853.1331 -149557.3932 298.4859 4.1338 32.3334 555967.4332 -2.4582 -2.4487 PRESSURE: 862800 -146.773 -61.6876 -78.08 -61.6869 33.1019 177.172 -78.0803 177.172 -129.276 GPRESSURE: 862800 -104.474 -31.1401 -79.5081 -45.6681 85.1224 213.723 -77.5604 100.37 -115.262 PRESSAVG: 862800 14.5625 -15.0665 -42.6875 -15.0666 24.4368 15.4766 -42.6874 15.4764 -25.7442 GPRESSAVG: 862800 15.7603 -16.7228 -42.5453 -15.224 23.2686 16.3479 -41.6323 15.2073 -25.0484 TIMING: 862800 CPU: 2499.27, 0.00289548/step Wall: 2499.27, 0.00289547/step, 3.32754 hours remaining, 210.273438 MB of memory in use. ENERGY: 862800 757.1652 2082.4158 1939.7076 107.8768 -206290.4621 17692.3759 0.0000 0.0000 34028.1571 -149682.7636 297.1764 -183710.9207 -149589.5205 297.9552 -80.9824 -44.8712 556760.7593 4.4183 4.6602 PRESSURE: 863000 56.2382 -43.4093 53.3414 -43.409 -118.861 15.2883 53.3406 15.2896 -175.685 GPRESSURE: 863000 121 -56.8366 -26.2648 -4.19008 -149.234 33.1027 111.044 -36.6815 -117.258 PRESSAVG: 863000 42.3201 -24.8382 -73.7603 -24.8382 8.79464 49.0016 -73.7603 49.0017 -44.1106 GPRESSAVG: 863000 39.8217 -23.5815 -73.6575 -25.504 10.7274 47.7523 -75.9315 49.7767 -43.8615 TIMING: 863000 CPU: 2499.85, 0.0029134/step Wall: 2499.85, 0.0029134/step, 3.34798 hours remaining, 210.273438 MB of memory in use. ENERGY: 863000 740.5366 2130.8750 1929.6684 124.4328 -206221.5679 17660.9946 0.0000 0.0000 34046.6351 -149588.4254 297.3377 -183635.0605 -149484.2447 298.0727 -79.4358 -48.4974 557983.0282 2.3347 2.2292 PRESSURE: 863200 -44.2132 50.5806 -128.665 50.5815 15.8563 74.5877 -128.665 74.5875 84.0646 GPRESSURE: 863200 -52.9159 81.3851 -209.286 -34.0434 52.2419 133.091 -141.621 23.1524 133.459 PRESSAVG: 863200 -33.0925 -5.44978 -5.03118 -5.44972 -33.4754 -21.0003 -5.03116 -21.0003 44.5126 GPRESSAVG: 863200 -31.9455 -6.0618 -5.69183 -5.19121 -34.4955 -20.424 -2.7801 -22.7193 44.3259 TIMING: 863200 CPU: 2500.43, 0.00291/step Wall: 2500.43, 0.00291/step, 3.34391 hours remaining, 210.273438 MB of memory in use. ENERGY: 863200 760.6900 2122.1136 1949.6341 110.4812 -206457.6845 17802.0963 0.0000 0.0000 34426.2196 -149286.4498 300.6527 -183712.6693 -149186.9995 298.3689 18.5692 44.2616 556897.6412 -7.3518 -7.3717 PRESSURE: 863400 119.078 -47.6127 -47.4253 -47.6134 -150.493 -35.072 -47.4235 -35.0702 -228.916 GPRESSURE: 863400 185.596 -41.6285 -91.6292 14.8311 -130.211 -94.8878 -64.8151 -46.1082 -217.128 PRESSAVG: 863400 30.309 -6.00138 0.455523 -6.00131 -12.0036 45.9097 0.455556 45.9098 -6.36403 GPRESSAVG: 863400 29.4396 -7.41133 2.22376 -5.21544 -11.4991 46.9938 -0.646367 45.1098 -5.97873 TIMING: 863400 CPU: 2501.01, 0.00289802/step Wall: 2501.01, 0.00289802/step, 3.32999 hours remaining, 210.273438 MB of memory in use. ENERGY: 863400 760.4463 2126.0321 1917.8426 115.1641 -206312.3744 17840.8413 0.0000 0.0000 34237.7633 -149314.2848 299.0069 -183552.0480 -149225.6045 299.1840 -86.7768 -53.9144 558899.7751 3.9804 3.9873 PRESSURE: 863600 -121.537 26.6503 -68.0678 26.6504 -33.33 76.5761 -68.0668 76.5765 124.003 GPRESSURE: 863600 -98.4294 142.652 -133.099 -20.2135 -10.2452 143.006 28.8729 8.54737 182.236 PRESSAVG: 863600 46.7485 31.3059 26.0332 31.3059 -31.0996 -1.62109 26.0333 -1.62099 12.3472 GPRESSAVG: 863600 47.5892 30.0625 24.1885 31.0759 -31.7714 -1.69884 26.4839 -1.75331 12.4617 TIMING: 863600 CPU: 2501.6, 0.00291983/step Wall: 2501.6, 0.00291983/step, 3.35489 hours remaining, 210.273438 MB of memory in use. ENERGY: 863600 736.4342 2121.7946 1919.5913 107.3770 -206534.4861 17880.7359 0.0000 0.0000 34356.1429 -149412.4102 300.0407 -183768.5531 -149318.1122 299.6730 -10.2879 24.5206 558740.7379 9.3320 9.4265 PRESSURE: 863800 -63.9876 53.3151 74.3883 53.3138 -19.6058 118.147 74.3887 118.147 -100.513 GPRESSURE: 863800 -75.9946 33.5583 80.1146 -2.21596 25.6127 79.941 37.8456 107.696 -41.5481 PRESSAVG: 863800 -26.7204 52.5068 2.50391 52.5067 35.6619 -9.096 2.50398 -9.09599 22.2464 GPRESSAVG: 863800 -26.2479 53.6728 5.03061 52.7194 36.03 -8.40225 0.936219 -10.2084 21.5255 TIMING: 863800 CPU: 2502.17, 0.00289439/step Wall: 2502.17, 0.00289439/step, 3.32549 hours remaining, 210.273438 MB of memory in use. ENERGY: 863800 705.0967 2098.4599 1958.3828 113.9181 -206335.8352 17824.2346 0.0000 0.0000 34278.6421 -149357.1011 299.3639 -183635.7431 -149259.8507 299.2828 -61.3687 -30.6433 559129.8568 10.3960 10.4359 PRESSURE: 864000 177.119 -45.8522 -182.305 -45.8523 200.361 -3.55708 -182.306 -3.55757 114.725 GPRESSURE: 864000 151.123 -58.741 -207.336 -14.3874 209.642 -38.758 -192 -13.2534 229.908 PRESSAVG: 864000 10.682 -14.5297 -56.8203 -14.5297 -7.44777 36.0129 -56.8203 36.0129 13.0365 GPRESSAVG: 864000 10.582 -13.9424 -57.9372 -14.4883 -7.62104 33.2815 -54.4514 37.5635 13.2245 TIMING: 864000 CPU: 2502.75, 0.00286683/step Wall: 2502.75, 0.00286683/step, 3.29367 hours remaining, 210.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 864000 726.5053 2132.5505 1958.8463 121.1415 -206568.2957 18138.5294 0.0000 0.0000 34262.0226 -149228.7001 299.2188 -183490.7227 -149134.5032 298.9839 164.0682 196.8907 558200.3346 5.4236 5.3952 PRESSURE: 864200 -20.0115 -127.82 17.5766 -127.82 -131.069 21.8316 17.577 21.8317 105.683 GPRESSURE: 864200 37.5817 -66.2743 -28.1939 -55.3336 -104.169 5.70573 97.078 14.1505 125.182 PRESSAVG: 864200 27.2261 -5.75355 -96.0291 -5.75366 -80.3114 47.1312 -96.029 47.1312 48.855 GPRESSAVG: 864200 28.3408 -4.01352 -96.4123 -7.53759 -80.0138 48.0145 -96.403 46.7 47.8708 TIMING: 864200 CPU: 2503.33, 0.0029026/step Wall: 2503.33, 0.0029026/step, 3.3346 hours remaining, 210.273438 MB of memory in use. ENERGY: 864200 675.0886 2125.2760 1955.1812 109.0751 -205767.8691 17588.6679 0.0000 0.0000 34217.4565 -149097.1238 298.8296 -183314.5803 -149003.6634 300.1571 -15.1324 19.5313 557912.4329 -1.4101 -1.2674 LDB: ============= START OF LOAD BALANCING ============== 2506.71 LDB: ============== END OF LOAD BALANCING =============== 2506.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2506.71 LDB: ============= START OF LOAD BALANCING ============== 2507.01 LDB: Largest compute 4820 load 0.027425 is 23.2% of average load 0.117968 LDB: Average compute 0.001714 is 1.5% of average load 0.117968 LDB: TIME 2507.01 LOAD: AVG 0.117968 MAX 0.183617 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 2507.01 LOAD: AVG 0.117968 MAX 0.183617 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 2507.01 LOAD: AVG 0.117968 MAX 0.183617 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2507.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2507.01 PRESSURE: 864400 -156.309 -0.66482 -57.1446 -0.664619 10.6696 102.153 -57.1447 102.153 -66.5842 GPRESSURE: 864400 -125.826 -11.0965 43.8791 70.6139 80.9904 181.628 -61.3678 105.994 -87.874 PRESSAVG: 864400 9.90365 33.4522 -12.0512 33.4521 19.7882 8.03099 -12.0511 8.03088 -49.4236 GPRESSAVG: 864400 8.69961 32.4403 -12.3359 33.6894 18.781 8.26275 -12.9271 10.5263 -48.1784 TIMING: 864400 CPU: 2503.92, 0.00295158/step Wall: 2503.92, 0.00295158/step, 3.39071 hours remaining, 206.242188 MB of memory in use. ENERGY: 864400 754.9074 2064.6165 1936.0819 103.2062 -205750.9498 17680.2825 0.0000 0.0000 34177.9561 -149033.8993 298.4846 -183211.8553 -148937.2603 299.6036 -70.7411 -44.2365 558898.5786 -6.5773 -6.8993 PRESSURE: 864600 -58.7557 46.1039 78.0965 46.1037 -135.644 69.7778 78.0961 69.7785 25.4422 GPRESSURE: 864600 -43.3749 71.0404 33.6917 86.9714 -78.2016 3.01723 79.9027 54.6375 54.4732 PRESSAVG: 864600 -14.7375 -17.073 -41.6069 -17.0731 -22.529 -9.51439 -41.607 -9.51431 -13.2677 GPRESSAVG: 864600 -14.9382 -16.3968 -42.6478 -17.6426 -21.5545 -10.6987 -42.5967 -13.0424 -13.943 TIMING: 864600 CPU: 2504.49, 0.00287916/step Wall: 2504.49, 0.00287916/step, 3.30735 hours remaining, 206.242188 MB of memory in use. ENERGY: 864600 789.2932 2071.9029 1945.5196 121.8347 -206247.8285 17861.6277 0.0000 0.0000 34391.9958 -149065.6546 300.3539 -183457.6504 -148959.3888 299.0407 -56.3193 -22.3677 558899.2353 -16.8447 -16.8119 PRESSURE: 864800 39.4734 14.2847 159.285 14.2843 195.706 -160.497 159.285 -160.5 -190.963 GPRESSURE: 864800 50.7133 -28.3118 145.237 38.2943 239.752 -134.381 157.454 -183.191 -156.463 PRESSAVG: 864800 32.1897 28.315 3.24686 28.3151 -47.091 -77.7415 3.24681 -77.7415 26.992 GPRESSAVG: 864800 32.363 28.1331 2.21572 30.1243 -47.576 -77.2484 4.91959 -75.1992 26.4642 TIMING: 864800 CPU: 2505.07, 0.00290023/step Wall: 2505.07, 0.00290023/step, 3.3314 hours remaining, 206.242188 MB of memory in use. ENERGY: 864800 740.3295 2113.2147 1955.0336 117.5855 -206271.8822 17952.8992 0.0000 0.0000 34313.3954 -149079.4243 299.6674 -183392.8197 -148982.4532 299.3636 14.7387 44.6673 558733.6031 4.0302 3.7504 PRESSURE: 865000 -123.052 -67.4369 -161.744 -67.4355 -338.835 -80.8684 -161.745 -80.8679 -9.10614 GPRESSURE: 865000 -72.5948 -103.132 -130.02 -28.6958 -300.869 -97.1063 -124.056 -88.4908 -11.1343 PRESSAVG: 865000 -11.3849 1.43728 -0.500905 1.43735 -0.880713 -81.3866 -0.50082 -81.3865 5.5246 GPRESSAVG: 865000 -10.4358 -0.599249 3.02764 1.56802 -2.20314 -80.6722 -1.37913 -83.0132 5.92825 TIMING: 865000 CPU: 2505.65, 0.00289811/step Wall: 2505.65, 0.00289811/step, 3.3288 hours remaining, 206.242188 MB of memory in use. ENERGY: 865000 764.1346 2157.1236 1970.6069 111.7495 -206065.8202 17759.6374 0.0000 0.0000 34275.5367 -149027.0316 299.3368 -183302.5683 -148926.8992 300.1247 -156.9977 -128.1995 557982.9481 -2.2470 -2.2369 PRESSURE: 865200 7.33943 159.011 19.4499 159.012 5.92469 -60.2191 19.4493 -60.22 26.8633 GPRESSURE: 865200 75.5468 137.469 64.2414 81.0958 2.97262 -43.9843 -58.3534 -55.972 55.5193 PRESSAVG: 865200 -7.13141 86.6449 -18.7199 86.6449 8.02414 -37.4495 -18.72 -37.4495 21.7835 GPRESSAVG: 865200 -8.19909 89.4434 -19.8639 85.3832 9.67381 -39.4252 -18.757 -37.8881 21.7005 TIMING: 865200 CPU: 2506.24, 0.00291425/step Wall: 2506.24, 0.00291425/step, 3.34718 hours remaining, 206.242188 MB of memory in use. ENERGY: 865200 737.3744 2105.2643 1974.5342 122.3843 -206293.9034 17936.1840 0.0000 0.0000 34422.9319 -148995.2302 300.6240 -183418.1621 -148893.7529 300.0053 13.3758 44.6796 558653.0313 7.5587 7.7251 PRESSURE: 865400 -427.276 77.8554 20.8585 77.8554 -43.7182 -194.198 20.8587 -194.197 -234.096 GPRESSURE: 865400 -391.727 67.0844 79.1008 180.626 -32.1517 -162.662 -50.9748 -189.468 -188.403 PRESSAVG: 865400 -52.1575 20.395 -20.856 20.3949 4.44033 -67.6967 -20.856 -67.6966 -28.1857 GPRESSAVG: 865400 -52.907 18.9744 -22.2697 19.4805 3.81494 -64.004 -20.6922 -67.9013 -27.065 TIMING: 865400 CPU: 2506.82, 0.00291329/step Wall: 2506.82, 0.00291329/step, 3.34592 hours remaining, 206.242188 MB of memory in use. ENERGY: 865400 745.7663 2082.9077 1967.6016 125.9675 -205963.5570 17416.7029 0.0000 0.0000 34218.3574 -149406.2537 298.8374 -183624.6111 -149306.9676 299.3220 -235.0302 -204.0938 557411.6837 -25.3010 -25.3857 PRESSURE: 865600 -379.164 144.059 -109.834 144.058 -363.572 22.8339 -109.834 22.8343 -376.655 GPRESSURE: 865600 -300.183 141.113 -169.984 65.8039 -378.332 -19.3343 -23.0843 34.5511 -336.094 PRESSAVG: 865600 -31.9579 -14.5979 8.33155 -14.5978 23.4942 -21.9616 8.33152 -21.9616 35.6287 GPRESSAVG: 865600 -30.8164 -15.3391 10.8972 -12.7993 23.0549 -25.887 11.0271 -21.5098 34.7926 TIMING: 865600 CPU: 2507.4, 0.00290933/step Wall: 2507.4, 0.00290933/step, 3.34121 hours remaining, 206.242188 MB of memory in use. ENERGY: 865600 767.2801 2146.5792 1961.0280 114.0092 -205949.1372 17348.2190 0.0000 0.0000 34083.9651 -149528.0566 297.6637 -183612.0217 -149430.5413 298.4809 -373.1306 -338.2030 558192.2786 9.0550 9.0104 PRESSURE: 865800 -15.084 -44.1828 61.0464 -44.1828 133.789 -11.8903 61.0459 -11.8911 -25.9062 GPRESSURE: 865800 -15.9332 -87.1955 13.1379 -1.23162 181.397 -39.7985 106.813 -80.6466 14.5522 PRESSAVG: 865800 12.0972 16.3874 34.542 16.3874 -8.40691 -30.8852 34.5421 -30.8852 -24.0739 GPRESSAVG: 865800 11.264 17.5369 33.2365 16.8045 -7.56723 -29.5433 33.5266 -30.4986 -24.3404 TIMING: 865800 CPU: 2507.98, 0.00290574/step Wall: 2507.98, 0.00290574/step, 3.33692 hours remaining, 206.242188 MB of memory in use. ENERGY: 865800 747.5837 2092.5956 1953.1928 107.6289 -206631.4924 18050.7638 0.0000 0.0000 34140.9903 -149538.7373 298.1618 -183679.7276 -149438.4520 298.8619 30.9328 60.0054 557734.3520 -6.7945 -6.8812 PRESSURE: 866000 -161.665 45.7728 30.4857 45.7735 -39.28 -187.03 30.4856 -187.03 -158.248 GPRESSURE: 866000 -64.5646 64.3973 58.404 112.817 -28.8334 -36.7196 37.0242 -182.68 -171.657 PRESSAVG: 866000 -9.49994 -10.0137 0.840102 -10.0136 27.9588 -44.4667 0.840125 -44.4667 -34.9946 GPRESSAVG: 866000 -8.6358 -8.98806 2.2715 -11.7128 27.7407 -46.9928 -1.41987 -43.1499 -35.3283 TIMING: 866000 CPU: 2508.57, 0.00291586/step Wall: 2508.57, 0.00291585/step, 3.34837 hours remaining, 206.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 866000 755.5890 2051.4577 1937.1479 115.2624 -206417.4763 17775.1609 0.0000 0.0000 34173.9832 -149608.8753 298.4499 -183782.8585 -149506.5601 298.3926 -119.7312 -88.3516 558970.3526 -5.5119 -5.4078 PRESSURE: 866200 -48.8309 140.353 -14.3319 140.353 -15.6888 20.1361 -14.3328 20.1372 -20.0537 GPRESSURE: 866200 2.79654 90.8141 -30.8248 158.606 -0.656423 10.9531 -0.597105 16.9468 -7.98409 PRESSAVG: 866200 -49.1086 -4.66341 -43.7238 -4.6633 98.2916 36.9138 -43.7238 36.9137 -27.3314 GPRESSAVG: 866200 -49.0582 -5.83816 -45.7278 -4.98796 98.6168 37.8712 -43.1093 35.4743 -28.2517 TIMING: 866200 CPU: 2509.15, 0.00290601/step Wall: 2509.15, 0.00290601/step, 3.33691 hours remaining, 206.242188 MB of memory in use. ENERGY: 866200 786.5264 2108.2414 1968.9299 124.4442 -206432.8188 17843.4683 0.0000 0.0000 33989.5336 -149611.6750 296.8391 -183601.2086 -149514.3811 297.8131 -28.1912 -1.9480 557943.3911 7.2838 7.1023 PRESSURE: 866400 -69.0722 -18.5019 -161.073 -18.5027 139.044 28.4903 -161.074 28.4898 -220.301 GPRESSURE: 866400 -17.2997 16.8491 -189.014 -32.5138 148.168 79.7806 -134.579 19.1944 -184.91 PRESSAVG: 866400 -29.4127 -15.6925 -53.4961 -15.6925 22.0383 25.1812 -53.4962 25.1812 3.38822 GPRESSAVG: 866400 -29.6422 -15.8383 -52.787 -13.8205 22.0435 25.1967 -53.171 25.5605 3.67069 TIMING: 866400 CPU: 2509.73, 0.00291403/step Wall: 2509.73, 0.00291403/step, 3.34595 hours remaining, 206.242188 MB of memory in use. ENERGY: 866400 786.9279 2059.3473 1945.4740 116.2409 -206394.4405 17861.3151 0.0000 0.0000 34021.6305 -149603.5050 297.1194 -183625.1355 -149508.5588 297.5875 -50.1097 -18.0141 556893.2381 -1.3287 -1.3093 PRESSURE: 866600 179.973 2.83134 123.018 2.83076 -58.6766 -163.325 123.019 -163.324 -129.112 GPRESSURE: 866600 192.666 -94.0777 105.722 24.9727 -38.7043 -136.241 132.96 -192.707 -58.2958 PRESSAVG: 866600 -12.5323 -40.9428 20.8563 -40.9427 19.3736 -30.7959 20.8562 -30.796 -21.3239 GPRESSAVG: 866600 -12.3435 -40.6406 20.6422 -41.2935 18.5373 -27.3323 21.0774 -30.7078 -20.4692 TIMING: 866600 CPU: 2510.31, 0.00291471/step Wall: 2510.31, 0.00291471/step, 3.34657 hours remaining, 206.242188 MB of memory in use. ENERGY: 866600 738.4951 2055.1016 1916.3207 105.6978 -206422.8255 17852.2583 0.0000 0.0000 34151.7685 -149603.1835 298.2559 -183754.9521 -149497.4363 298.1149 -2.6051 31.8886 557200.4438 -4.8275 -4.7584 PRESSURE: 866800 85.4095 -34.5073 155.575 -34.5084 -111.217 -112.431 155.575 -112.43 13.606 GPRESSURE: 866800 78.938 -25.042 207.295 37.3383 -74.3732 -72.8262 139.241 -10.981 82.5521 PRESSAVG: 866800 44.6433 -43.3976 34.9142 -43.3976 -47.2574 -52.6003 34.9142 -52.6003 12.3187 GPRESSAVG: 866800 43.1166 -43.3433 35.2499 -44.006 -46.4201 -52.9091 36.1239 -54.327 13.4389 TIMING: 866800 CPU: 2510.89, 0.00289422/step Wall: 2510.89, 0.00289422/step, 3.32288 hours remaining, 206.242188 MB of memory in use. ENERGY: 866800 749.7155 2076.2563 1925.1007 120.2961 -206432.1716 17845.6647 0.0000 0.0000 34241.8955 -149473.2429 299.0430 -183715.1384 -149380.5560 298.4345 -4.0672 29.0390 556928.3378 3.2349 3.3785 PRESSURE: 867000 -568.006 21.4476 225.875 21.4477 -406.681 71.2219 225.875 71.2221 -279.707 GPRESSURE: 867000 -546.292 24.5021 97.3661 -75.0588 -319.381 51.6931 254.547 102.067 -297.077 PRESSAVG: 867000 -28.228 -27.7931 33.6787 -27.793 -67.2759 -44.0823 33.6787 -44.0824 71.2415 GPRESSAVG: 867000 -26.9356 -29.3672 31.3468 -26.0636 -67.7447 -45.5276 33.5828 -43.4493 70.6544 TIMING: 867000 CPU: 2511.47, 0.00290554/step Wall: 2511.47, 0.00290554/step, 3.33572 hours remaining, 206.242188 MB of memory in use. ENERGY: 867000 750.9581 2087.7363 1925.4605 111.1233 -205414.3232 17185.4098 0.0000 0.0000 33941.6735 -149411.9615 296.4211 -183353.6350 -149314.4764 298.2561 -418.1313 -387.5832 559284.4485 -8.0875 -8.0086 PRESSURE: 867200 -240.616 -32.976 -147.354 -32.9758 148.785 53.0515 -147.355 53.0527 28.4228 GPRESSURE: 867200 -162.317 -25.5519 -157.634 -113.99 177.962 56.2516 -96.8306 -55.3866 32.2009 PRESSAVG: 867200 -7.80079 -55.2023 41.3524 -55.2023 8.66259 -54.9425 41.3525 -54.9426 9.21819 GPRESSAVG: 867200 -8.01531 -55.5689 41.3338 -55.6901 10.055 -53.8958 41.8346 -54.6964 8.31078 TIMING: 867200 CPU: 2512.05, 0.00290426/step Wall: 2512.05, 0.00290426/step, 3.33409 hours remaining, 206.242188 MB of memory in use. ENERGY: 867200 761.3406 2134.7279 1927.0639 113.5511 -206271.4042 17863.7088 0.0000 0.0000 34013.9176 -149457.0942 297.0520 -183471.0118 -149349.5740 298.7803 -21.1359 15.9487 557604.7983 3.3600 3.4502 PRESSURE: 867400 -134.838 -103.816 29.2507 -103.816 181.999 -96.4306 29.2509 -96.4309 46.3262 GPRESSURE: 867400 -88.03 -61.6963 56.9298 -47.9273 193.628 -140.751 21.683 -52.2638 93.3416 PRESSAVG: 867400 -2.37812 -41.1075 -19.6496 -41.1075 15.8792 -10.0866 -19.6495 -10.0867 24.4242 GPRESSAVG: 867400 -2.69025 -39.7586 -18.8586 -41.2253 14.9433 -12.4185 -20.3395 -9.32115 25.5871 TIMING: 867400 CPU: 2512.63, 0.00289867/step Wall: 2512.63, 0.00289867/step, 3.32751 hours remaining, 206.242188 MB of memory in use. ENERGY: 867400 754.4972 2095.6057 1921.4954 125.6079 -206300.7776 17899.9871 0.0000 0.0000 33890.6292 -149612.9551 295.9753 -183503.5844 -149515.5545 297.8425 31.1623 66.3132 558796.7176 12.6418 12.6134 PRESSURE: 867600 -163.531 82.7047 125.428 82.7038 -36.593 12.1472 125.428 12.1469 -121.104 GPRESSURE: 867600 -149.68 94.8114 157.245 29.4137 -26.5393 21.7698 110.362 49.6479 -57.1637 PRESSAVG: 867600 12.5184 25.3677 3.88457 25.3677 68.3902 -53.6795 3.88454 -53.6795 -42.859 GPRESSAVG: 867600 13.2186 24.9276 5.22364 25.368 68.6519 -53.1216 2.27841 -53.0394 -43.4833 TIMING: 867600 CPU: 2513.21, 0.0028961/step Wall: 2513.21, 0.0028961/step, 3.3244 hours remaining, 206.242188 MB of memory in use. ENERGY: 867600 765.1037 2112.5634 1933.7509 117.3549 -205989.3205 17566.0400 0.0000 0.0000 34061.7837 -149432.7237 297.4700 -183494.5074 -149336.2212 298.6474 -107.0758 -77.7944 558471.2416 12.6832 12.7957 PRESSURE: 867800 -23.1163 121.275 82.7969 121.275 -81.018 15.5213 82.7963 15.5214 -60.2725 GPRESSURE: 867800 33.8531 141.708 124.287 159.369 -77.6449 -20.3389 82.5081 27.1395 -24.9343 PRESSAVG: 867800 -11.2883 5.82457 61.4266 5.82447 -25.4409 -18.4524 61.4265 -18.4523 31.3942 GPRESSAVG: 867800 -11.9622 5.17383 62.2184 5.51484 -25.802 -18.8703 60.9342 -18.6752 32.4586 TIMING: 867800 CPU: 2513.79, 0.00288872/step Wall: 2513.79, 0.00288872/step, 3.31577 hours remaining, 206.242188 MB of memory in use. ENERGY: 867800 744.7662 2063.7609 1959.0717 105.9039 -206464.5675 17758.2821 0.0000 0.0000 34320.1433 -149512.6395 299.7263 -183832.7827 -149420.7344 298.2696 -54.8023 -22.9087 555857.0550 -1.7783 -1.7685 PRESSURE: 868000 307.34 -62.2463 88.9869 -62.2473 278.62 -56.9956 88.9879 -56.996 490.545 GPRESSURE: 868000 385.068 -90.6601 76.549 -44.984 231.771 -13.102 27.5695 10.4851 567.073 PRESSAVG: 868000 11.5002 -13.8532 61.9033 -13.8532 -32.7647 39.9421 61.9033 39.9421 85.4837 GPRESSAVG: 868000 12.9856 -15.1883 59.9409 -13.3538 -33.0542 41.0976 62.2289 39.7043 84.2151 TIMING: 868000 CPU: 2514.37, 0.00289233/step Wall: 2514.37, 0.00289233/step, 3.31975 hours remaining, 206.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 868000 694.0493 2100.5230 1935.8361 112.3051 -206411.4942 18186.5088 0.0000 0.0000 34046.0171 -149336.2548 297.3323 -183382.2719 -149246.1941 298.8821 358.8348 394.6373 555854.8337 21.4064 21.3821 PRESSURE: 868200 -167.849 164.662 -36.279 164.661 -145.271 -72.8793 -36.2784 -72.8795 100.342 GPRESSURE: 868200 -162.441 183.195 -25.6651 153.177 -92.2015 -114.329 -70.8992 -38.1336 139.256 PRESSAVG: 868200 -54.6682 -45.4671 -38.3918 -45.4671 -70.6603 -2.1866 -38.3918 -2.18652 118.79 GPRESSAVG: 868200 -56.3892 -45.7548 -38.4068 -45.192 -69.2144 -1.58377 -37.0978 -2.4962 119.13 TIMING: 868200 CPU: 2514.94, 0.00286706/step Wall: 2514.94, 0.00286706/step, 3.29059 hours remaining, 206.242188 MB of memory in use. ENERGY: 868200 754.5847 2040.6513 1931.1650 114.9033 -206656.5741 17908.3225 0.0000 0.0000 34490.5527 -149416.3945 301.2146 -183906.9472 -149323.4332 299.6447 -70.9260 -38.4623 557225.0197 -2.1795 -2.1580 LDB: ============= START OF LOAD BALANCING ============== 2518.33 LDB: ============== END OF LOAD BALANCING =============== 2518.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2518.33 LDB: ============= START OF LOAD BALANCING ============== 2518.62 LDB: Largest compute 4822 load 0.025856 is 21.9% of average load 0.117936 LDB: Average compute 0.001723 is 1.5% of average load 0.117936 LDB: TIME 2518.62 LOAD: AVG 0.117936 MAX 0.187874 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.035 MB LDB: TIME 2518.62 LOAD: AVG 0.117936 MAX 0.187874 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.234 MB LDB: TIME 2518.62 LOAD: AVG 0.117936 MAX 0.187874 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2518.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2518.63 PRESSURE: 868400 30.6566 71.5048 42.242 71.5049 -24.7377 60.6172 42.242 60.6171 229.061 GPRESSURE: 868400 94.9631 59.7256 -32.5434 33.0527 -14.1934 52.1895 74.8863 58.7694 243.381 PRESSAVG: 868400 -43.2573 22.0229 -13.96 22.0229 -26.6538 3.05279 -13.9599 3.05296 39.6346 GPRESSAVG: 868400 -42.4681 22.5863 -12.8841 20.5173 -26.9533 1.12795 -14.8453 2.03198 39.4098 TIMING: 868400 CPU: 2515.54, 0.00296651/step Wall: 2515.54, 0.00296651/step, 3.40457 hours remaining, 207.832031 MB of memory in use. ENERGY: 868400 751.5117 2040.7756 1961.3884 123.3775 -206182.1563 17875.6268 0.0000 0.0000 34120.9534 -149308.5229 297.9868 -183429.4763 -149218.8704 298.5169 78.3265 108.0502 557868.2233 -10.0922 -10.0038 PRESSURE: 868600 253.469 136.895 213.675 136.895 22.2058 48.4877 213.674 48.4859 -84.227 GPRESSURE: 868600 253.414 84.8171 208.893 140.558 71.4243 -18.629 184.903 56.6425 -32.0152 PRESSAVG: 868600 -19.3534 -18.4694 -9.61596 -18.4694 69.8846 -35.4483 -9.61587 -35.4484 -53.9845 GPRESSAVG: 868600 -19.1737 -17.9527 -9.58827 -18.0634 70.1054 -32.3667 -9.792 -35.4299 -53.2599 TIMING: 868600 CPU: 2516.11, 0.00288792/step Wall: 2516.11, 0.00288792/step, 3.31421 hours remaining, 207.902344 MB of memory in use. ENERGY: 868600 744.6204 2082.8764 1940.1166 115.9094 -206113.1393 17857.6897 0.0000 0.0000 34047.0384 -149324.8884 297.3413 -183371.9268 -149226.0176 298.4487 63.8161 97.6076 558938.4633 -1.1511 -0.7761 PRESSURE: 868800 389.292 149.504 25.6364 149.503 488.584 6.29295 25.6361 6.29465 135.173 GPRESSURE: 868800 435.348 155.85 12.2039 105.586 432.35 43.8835 -1.00985 -30.2208 236.579 PRESSAVG: 868800 1.7498 27.1716 55.5854 27.1716 5.33924 -13.0731 55.5853 -13.0731 8.01796 GPRESSAVG: 868800 2.05755 24.8553 56.1291 28.9371 4.26418 -15.2169 55.7526 -10.6452 8.47934 TIMING: 868800 CPU: 2516.7, 0.00291194/step Wall: 2516.7, 0.00291194/step, 3.34161 hours remaining, 207.902344 MB of memory in use. ENERGY: 868800 730.2063 2054.9546 1928.1798 124.4781 -206779.5475 18317.9394 0.0000 0.0000 34196.9813 -149426.8081 298.6507 -183623.7894 -149330.9161 298.0162 337.6829 368.0923 557927.6359 5.0357 4.9337 PRESSURE: 869000 -165.19 48.3253 82.1417 48.3242 -39.9263 -135.339 82.1424 -135.338 69.1733 GPRESSURE: 869000 -128.994 92.428 62.8483 3.58982 9.91522 -104.585 3.08186 6.31975 84.7258 PRESSAVG: 869000 -9.64304 -29.5516 -7.34797 -29.5515 56.5669 6.96353 -7.348 6.96367 -52.3647 GPRESSAVG: 869000 -9.16715 -27.4861 -6.418 -30.4301 55.8769 7.68191 -8.95781 6.89304 -52.7153 TIMING: 869000 CPU: 2517.27, 0.00289486/step Wall: 2517.27, 0.00289486/step, 3.32185 hours remaining, 207.902344 MB of memory in use. ENERGY: 869000 777.2872 2049.2697 1947.1710 122.6817 -206348.7170 17828.6684 0.0000 0.0000 34233.1368 -149390.5022 298.9665 -183623.6391 -149296.6175 298.0610 -45.3144 -11.4509 558974.2502 -1.8136 -2.0018 PRESSURE: 869200 -84.3824 -86.3133 -39.0657 -86.3126 174.792 -139.462 -39.0647 -139.462 20.3162 GPRESSURE: 869200 -33.9793 -93.2419 -160.513 -101.971 235.51 -64.3156 24.723 -101.626 6.3344 PRESSAVG: 869200 -41.4097 -15.9056 -50.0224 -15.9055 53.7689 -30.2341 -50.0224 -30.2341 15.7346 GPRESSAVG: 869200 -41.7071 -16.3309 -50.9887 -14.6894 54.9275 -29.6727 -49.2314 -29.5825 15.3682 TIMING: 869200 CPU: 2517.85, 0.00289528/step Wall: 2517.85, 0.00289528/step, 3.32218 hours remaining, 207.902344 MB of memory in use. ENERGY: 869200 733.8780 2056.5195 1925.9888 112.9402 -206187.0683 17925.1995 0.0000 0.0000 33993.9625 -149438.5798 296.8777 -183432.5423 -149346.6550 298.0878 36.9085 69.2885 556357.3921 9.3646 9.5295 PRESSURE: 869400 -1.85395 -15.6412 37.0059 -15.6412 56.9126 78.9801 37.005 78.9808 -14.2876 GPRESSURE: 869400 17.8033 -39.7801 37.3812 32.6698 60.3394 71.3857 23.3497 112.933 47.0963 PRESSAVG: 869400 -8.80156 -6.53752 -3.71093 -6.5376 -5.25313 -44.4949 -3.71089 -44.4947 50.0158 GPRESSAVG: 869400 -9.3869 -7.15377 -3.10883 -8.3663 -5.63044 -46.2072 -2.58723 -45.6264 50.839 TIMING: 869400 CPU: 2518.43, 0.00290342/step Wall: 2518.43, 0.00290342/step, 3.33136 hours remaining, 207.902344 MB of memory in use. ENERGY: 869400 756.4591 2127.6925 1925.4308 121.1260 -206283.3842 17761.5284 0.0000 0.0000 34243.6382 -149347.5091 299.0582 -183591.1473 -149249.7321 298.1956 13.5903 41.7463 557661.8124 11.9870 11.9406 PRESSURE: 869600 32.1823 -99.9231 69.5631 -99.9224 -321.891 91.2483 69.5625 91.2493 -289.782 GPRESSURE: 869600 12.8232 -59.6163 23.6836 -114.1 -271.134 110.037 53.1377 59.156 -231.077 PRESSAVG: 869600 -4.98084 -50.0015 26.1593 -50.0015 -16.1242 17.3116 26.1592 17.3117 31.0544 GPRESSAVG: 869600 -6.08881 -48.7835 25.0229 -50.4708 -14.5851 19.4638 25.9226 16.5107 30.1826 TIMING: 869600 CPU: 2519.02, 0.00290885/step Wall: 2519.02, 0.00290885/step, 3.33742 hours remaining, 207.902344 MB of memory in use. ENERGY: 869600 802.4330 2050.0333 1927.8528 117.9690 -205977.7554 17642.8516 0.0000 0.0000 33985.5833 -149451.0325 296.8046 -183436.6158 -149352.8929 298.8327 -193.1634 -163.1293 557820.8859 3.3165 3.1696 PRESSURE: 869800 -34.9403 30.8147 -122.819 30.8157 -21.3737 -73.7908 -122.818 -73.7912 7.23524 GPRESSURE: 869800 -28.578 33.7282 -138.508 89.4696 68.8738 -111.645 -124.689 -27.863 9.85352 PRESSAVG: 869800 36.409 -53.43 -39.1261 -53.4301 9.89558 11.4139 -39.1261 11.4139 -31.9935 GPRESSAVG: 869800 36.8575 -55.1197 -38.7417 -53.0899 8.77711 7.81741 -38.9965 12.6066 -31.6617 TIMING: 869800 CPU: 2519.59, 0.00289151/step Wall: 2519.59, 0.00289151/step, 3.31737 hours remaining, 207.902344 MB of memory in use. ENERGY: 869800 741.8964 2121.2662 1913.8514 105.0452 -206159.7737 17711.0915 0.0000 0.0000 34239.2473 -149327.3757 299.0199 -183566.6230 -149233.2367 299.2383 -16.3596 16.7164 555667.7632 4.7704 4.6576 PRESSURE: 870000 -144.655 71.8591 -43.5956 71.8597 31.4517 7.68511 -43.5955 7.68421 -45.2995 GPRESSURE: 870000 -89.3888 83.5768 78.62 31.8178 61.9748 61.8359 -160.295 -80.2824 -28.557 PRESSAVG: 870000 18.6465 40.7348 -47.2531 40.7347 33.888 -10.7533 -47.253 -10.7533 -1.05951 GPRESSAVG: 870000 19.8939 42.1214 -45.7545 39.6202 33.2324 -8.12598 -47.8815 -10.6656 -2.01887 TIMING: 870000 CPU: 2520.18, 0.00291168/step Wall: 2520.18, 0.00291168/step, 3.34035 hours remaining, 207.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 870000 733.9708 2061.7197 1944.5886 128.4218 -206053.9259 17619.2880 0.0000 0.0000 34291.8970 -149274.0400 299.4797 -183565.9370 -149167.8527 299.1530 -52.8344 -18.6570 556449.5036 17.1583 17.0358 PRESSURE: 870200 -10.5414 129.209 -96.4372 129.208 -15.7613 -24.9245 -96.4373 -24.9244 -13.9267 GPRESSURE: 870200 9.14217 82.3279 -169.66 179.445 16.1028 51.4258 -54.2849 32.6763 31.194 PRESSAVG: 870200 20.9241 -22.8429 -36.2792 -22.8429 -8.92459 -46.7681 -36.2792 -46.7683 3.90045 GPRESSAVG: 870200 20.2919 -20.5487 -35.1631 -24.7181 -7.90989 -45.309 -35.5299 -46.6718 4.0592 TIMING: 870200 CPU: 2520.76, 0.00291419/step Wall: 2520.76, 0.00291419/step, 3.34306 hours remaining, 207.902344 MB of memory in use. ENERGY: 870200 749.1722 2083.4103 1996.9855 124.7036 -206153.8181 17886.2604 0.0000 0.0000 34138.7243 -149174.5617 298.1420 -183313.2861 -149067.5757 300.1865 -13.4098 18.8130 557544.5193 5.3000 5.4804 PRESSURE: 870400 -156.493 -35.3434 24.9665 -35.343 4.7892 -101.729 24.9674 -101.731 196.111 GPRESSURE: 870400 -122.806 -129.051 -46.128 -42.2789 48.2333 -81.1979 42.1265 -73.5087 218.714 PRESSAVG: 870400 27.323 6.2978 16.9966 6.29785 -96.2602 -24.7158 16.9966 -24.7159 72.3204 GPRESSAVG: 870400 27.5385 4.33422 13.4969 8.28628 -97.1337 -24.8083 17.1893 -27.1184 72.8702 TIMING: 870400 CPU: 2521.35, 0.00293016/step Wall: 2521.35, 0.00293016/step, 3.36122 hours remaining, 207.902344 MB of memory in use. ENERGY: 870400 759.3622 2048.7915 1944.2447 118.9631 -205992.5599 17948.9684 0.0000 0.0000 33988.4987 -149183.7313 296.8300 -183172.2299 -149074.8591 299.0917 14.8024 48.0471 559462.5808 1.1277 1.0917 PRESSURE: 870600 -76.7835 261.442 -56.6994 261.442 -268.855 11.0087 -56.6986 11.0103 -122.032 GPRESSURE: 870600 -58.3648 258.052 -91.0347 190.879 -189.917 106.73 -65.6158 45.4723 -117.109 PRESSAVG: 870600 8.70617 9.71413 -20.9482 9.7141 1.15015 29.0292 -20.9483 29.0292 -15.2717 GPRESSAVG: 870600 8.02282 10.3249 -19.8657 9.24406 2.32196 30.4746 -21.1494 29.3085 -16.049 TIMING: 870600 CPU: 2521.93, 0.00290136/step Wall: 2521.93, 0.00290136/step, 3.32802 hours remaining, 207.902344 MB of memory in use. ENERGY: 870600 757.5952 2156.7348 1950.5763 120.0987 -205919.7116 17702.2355 0.0000 0.0000 34122.9654 -149109.5057 298.0043 -183232.4712 -149014.3772 298.9811 -155.8901 -121.7971 558623.1902 -1.8051 -1.9014 PRESSURE: 870800 -219.828 -132.902 -44.1566 -132.903 75.7458 120.949 -44.1561 120.95 -161.186 GPRESSURE: 870800 -214.268 -89.1742 -19.8629 -118.063 82.8106 4.84248 -25.4055 145.366 -70.655 PRESSAVG: 870800 -38.3619 -18.198 6.42145 -18.198 48.4927 25.1287 6.42139 25.1287 18.0853 GPRESSAVG: 870800 -39.0229 -16.9658 9.20283 -20.0126 48.1094 21.0123 4.64133 26.1203 19.3387 TIMING: 870800 CPU: 2522.51, 0.0028973/step Wall: 2522.51, 0.0028973/step, 3.3232 hours remaining, 207.902344 MB of memory in use. ENERGY: 870800 774.0376 2093.3901 1954.2304 116.7625 -205702.1259 17643.4595 0.0000 0.0000 34026.2558 -149093.9901 297.1598 -183120.2459 -148991.1722 299.4417 -101.7560 -67.3707 558828.2671 9.4053 9.4751 PRESSURE: 871000 21.5862 3.78949 54.0006 3.79159 219.341 -9.88174 54 -9.88146 -192.397 GPRESSURE: 871000 71.4358 31.8951 47.1647 7.43312 191.815 25.4613 -67.974 -57.1045 -112.899 PRESSAVG: 871000 20.0767 -57.8219 -8.78452 -57.822 41.2267 5.16027 -8.78454 5.16013 -18.4599 GPRESSAVG: 871000 19.6576 -58.7355 -10.0759 -54.9125 41.2816 6.16722 -7.06661 4.95094 -18.9003 TIMING: 871000 CPU: 2523.09, 0.00291221/step Wall: 2523.09, 0.00291221/step, 3.34014 hours remaining, 207.902344 MB of memory in use. ENERGY: 871000 735.4367 2089.2799 1930.5069 110.5568 -206292.9474 17958.3356 0.0000 0.0000 34257.6464 -149211.1852 299.1805 -183468.8316 -149118.0602 299.7607 16.1769 50.1172 558698.1327 14.2811 14.0130 PRESSURE: 871200 -268.65 -37.2883 111.845 -37.2884 -1.50518 94.6351 111.844 94.636 -48.4797 GPRESSURE: 871200 -236.445 -54.8479 44.1023 -69.3582 13.6311 100.536 77.8359 88.44 0.0901801 PRESSAVG: 871200 11.7333 -68.4407 -71.1344 -68.4407 34.844 48.1833 -71.1344 48.1833 -40.1904 GPRESSAVG: 871200 12.4655 -69.295 -71.7254 -70 34.3851 49.3774 -71.0047 47.0525 -40.4709 TIMING: 871200 CPU: 2523.67, 0.00292584/step Wall: 2523.67, 0.00292584/step, 3.35562 hours remaining, 207.902344 MB of memory in use. ENERGY: 871200 751.7977 2083.3044 1931.0734 113.3804 -206457.2265 17899.1305 0.0000 0.0000 34568.0214 -149110.5187 301.8911 -183678.5401 -149016.1541 299.8651 -106.2117 -74.2413 559084.8184 2.1290 2.1266 PRESSURE: 871400 193.531 -221.804 44.212 -221.803 84.0746 5.53113 44.211 5.53025 -178.57 GPRESSURE: 871400 250.753 -229.09 -22.5237 -238.134 116.1 24.6574 66.2536 -35.2368 -168.367 PRESSAVG: 871400 27.4376 -60.5714 -38.587 -60.5713 -6.71118 21.2597 -38.587 21.2598 -30.4439 GPRESSAVG: 871400 27.5888 -59.6454 -39.7299 -61.0695 -6.58084 19.7348 -36.7385 22.2956 -29.8976 TIMING: 871400 CPU: 2524.26, 0.00292536/step Wall: 2524.26, 0.00292536/step, 3.3549 hours remaining, 207.902344 MB of memory in use. ENERGY: 871400 755.4917 2086.0954 1935.5049 118.2232 -205756.6132 17621.9995 0.0000 0.0000 34121.2366 -149118.0618 297.9892 -183239.2984 -149020.4720 299.5221 33.0120 66.1619 558343.1414 -3.2392 -2.9632 PRESSURE: 871600 -136.933 -153.211 -28.1605 -153.213 108.063 -148.913 -28.1586 -148.914 265.925 GPRESSURE: 871600 -108.097 -163.609 -11.2939 -146.605 140.12 -96.711 -51.5831 -134.907 299.796 PRESSAVG: 871600 -16.2546 9.37767 -67.4288 9.37771 29.3996 23.5794 -67.4287 23.5795 69.1123 GPRESSAVG: 871600 -16.3582 6.50864 -67.8429 12.3301 30.4664 21.8944 -67.6812 23.6795 68.1799 TIMING: 871600 CPU: 2524.84, 0.00290414/step Wall: 2524.84, 0.00290414/step, 3.3304 hours remaining, 207.902344 MB of memory in use. ENERGY: 871600 734.8446 2090.3303 1940.9060 108.1239 -206250.4867 17884.5912 0.0000 0.0000 34361.6382 -149130.0525 300.0887 -183491.6907 -149030.5012 298.7573 79.0181 110.6061 557638.7215 27.4191 27.4294 PRESSURE: 871800 82.0973 -42.8758 26.0022 -42.8756 -38.4208 84.4977 26.0037 84.497 -420.306 GPRESSURE: 871800 87.4327 -88.6693 -25.7869 18.2946 -5.64682 11.1712 32.3194 149.964 -371.343 PRESSAVG: 871800 29.3909 -13.7063 -18.0924 -13.7062 -57.4698 -4.8177 -18.0923 -4.8176 29.2382 GPRESSAVG: 871800 29.4168 -12.0326 -15.8626 -14.3988 -57.5969 -2.99241 -19.9816 -3.2679 29.9437 TIMING: 871800 CPU: 2525.42, 0.00291019/step Wall: 2525.42, 0.00291019/step, 3.33718 hours remaining, 207.902344 MB of memory in use. ENERGY: 871800 725.5614 2072.7985 1922.4533 125.9937 -206141.0198 17616.2497 0.0000 0.0000 34391.4336 -149286.5297 300.3489 -183677.9633 -149195.5572 299.6320 -125.5432 -96.5189 558509.5922 0.3864 0.5879 PRESSURE: 872000 -122.858 -218.069 -46.8226 -218.07 182.897 213.451 -46.8219 213.452 13.3118 GPRESSURE: 872000 -72.19 -184.638 -106.883 -176.038 163.786 83.6972 -66.2482 320.246 83.2506 PRESSAVG: 872000 -18.3404 3.54385 10.2566 3.54379 47.0762 62.1584 10.2566 62.1584 -10.1358 GPRESSAVG: 872000 -18.5027 1.97553 10.3448 3.69007 46.6231 61.3698 8.45572 62.1163 -10.3544 TIMING: 872000 CPU: 2526, 0.00287889/step Wall: 2526, 0.00287889/step, 3.30113 hours remaining, 207.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 872000 746.7160 2087.7616 1933.1856 117.4110 -206394.5733 17873.1789 0.0000 0.0000 34224.9819 -149411.3384 298.8953 -183636.3203 -149315.1535 298.6806 24.4502 58.2822 555427.5651 6.2000 5.9220 PRESSURE: 872200 309.53 142.812 88.1657 142.812 222.127 157.666 88.1664 157.666 -175.296 GPRESSURE: 872200 343.667 135.101 89.5376 62.3344 214.077 168.688 142.618 199.649 -114.098 PRESSAVG: 872200 27.2093 -13.7867 3.06319 -13.7866 -4.80885 46.3736 3.06332 46.3735 -5.36149 GPRESSAVG: 872200 26.0434 -12.1543 2.15597 -14.9693 -5.47562 46.9317 5.83674 48.5115 -3.69981 TIMING: 872200 CPU: 2526.58, 0.00289477/step Wall: 2526.58, 0.00289477/step, 3.31918 hours remaining, 207.902344 MB of memory in use. ENERGY: 872200 727.3387 2072.5221 1973.2350 133.4988 -206526.7147 17920.5181 0.0000 0.0000 34351.8055 -149347.7965 300.0029 -183699.6020 -149250.5516 298.8490 118.7868 147.8819 556465.8968 5.6797 5.6227 LDB: ============= START OF LOAD BALANCING ============== 2529.96 LDB: ============== END OF LOAD BALANCING =============== 2529.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2529.96 LDB: ============= START OF LOAD BALANCING ============== 2530.25 LDB: Largest compute 4822 load 0.026973 is 22.9% of average load 0.117996 LDB: Average compute 0.001722 is 1.5% of average load 0.117996 LDB: TIME 2530.25 LOAD: AVG 0.117996 MAX 0.186515 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.609 MB LDB: TIME 2530.25 LOAD: AVG 0.117996 MAX 0.186515 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.609 MB LDB: TIME 2530.25 LOAD: AVG 0.117996 MAX 0.186515 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.609 MB LDB: ============== END OF LOAD BALANCING =============== 2530.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2530.26 PRESSURE: 872400 2.82463 66.7759 107.588 66.7781 -57.5404 66.3627 107.587 66.3615 -189.197 GPRESSURE: 872400 1.04235 4.21276 48.1371 130.432 67.4221 49.5762 162.668 68.5388 -208.979 PRESSAVG: 872400 36.6109 42.6773 34.8684 42.6774 -20.9019 30.9238 34.8684 30.9237 -49.1115 GPRESSAVG: 872400 36.9426 42.9512 33.9677 42.2632 -19.8339 30.82 36.7545 29.5954 -50.128 TIMING: 872400 CPU: 2527.16, 0.00293867/step Wall: 2527.16, 0.00293867/step, 3.36935 hours remaining, 206.753906 MB of memory in use. ENERGY: 872400 719.8134 2083.8000 1964.0185 112.1695 -206019.1797 17538.9535 0.0000 0.0000 34332.0109 -149268.4138 299.8300 -183600.4247 -149177.1185 299.4191 -81.3043 -46.8383 556882.1304 -11.1342 -11.0064 PRESSURE: 872600 -190.02 91.1528 -155.654 91.1522 142.625 -21.292 -155.654 -21.2913 385.035 GPRESSURE: 872600 -174.123 81.1222 -51.0171 129.06 200.597 -27.6982 -214.223 -41.0599 412.426 PRESSAVG: 872600 10.58 7.36414 -16.7813 7.3641 -39.6496 -12.3846 -16.7811 -12.3845 24.8754 GPRESSAVG: 872600 10.3441 6.94671 -15.1851 6.97033 -39.393 -12.349 -20.3173 -12.4746 25.2081 TIMING: 872600 CPU: 2527.74, 0.00288531/step Wall: 2527.74, 0.00288531/step, 3.308 hours remaining, 207.011719 MB of memory in use. ENERGY: 872600 734.8295 2139.6827 1956.1883 111.7480 -206669.1977 18219.4228 0.0000 0.0000 34452.0248 -149055.3016 300.8781 -183507.3264 -148950.2385 299.7816 112.5464 146.2999 558563.7961 -1.3981 -1.2803 PRESSURE: 872800 -297.82 51.6114 -89.9622 51.6126 107.709 65.2974 -89.9629 65.2982 -46.6195 GPRESSURE: 872800 -258.501 32.5526 -63.7401 -49.0869 135.766 19.4041 -81.417 22.9088 -24.558 PRESSAVG: 872800 -19.0939 8.3849 -58.4028 8.38502 24.786 -28.0987 -58.4027 -28.0987 -4.12842 GPRESSAVG: 872800 -18.3091 8.90105 -59.5395 9.03334 23.6383 -27.6287 -56.7618 -29.2158 -3.52469 TIMING: 872800 CPU: 2528.32, 0.00288952/step Wall: 2528.32, 0.00288952/step, 3.31268 hours remaining, 207.011719 MB of memory in use. ENERGY: 872800 745.3806 2134.0044 1968.9444 118.6354 -205747.4790 17661.7264 0.0000 0.0000 34271.6480 -148847.1398 299.3028 -183118.7879 -148751.6152 299.4039 -78.9101 -49.0976 559524.0690 0.5212 0.6015 PRESSURE: 873000 -266.383 -12.3362 -56.4616 -12.3357 -459.178 23.3639 -56.4618 23.3644 -521.185 GPRESSURE: 873000 -233.211 -67.5177 -113.879 19.0639 -432.893 118.106 23.9569 86.1222 -487.891 PRESSAVG: 873000 18.6643 -37.7439 -16.4621 -37.7439 11.9542 1.80554 -16.4621 1.80562 6.94315 GPRESSAVG: 873000 18.7434 -36.6727 -18.0856 -40.6111 11.4849 2.29901 -16.237 2.76877 6.93637 TIMING: 873000 CPU: 2528.9, 0.00292564/step Wall: 2528.9, 0.00292564/step, 3.35392 hours remaining, 207.011719 MB of memory in use. ENERGY: 873000 762.3268 2103.6806 1959.4598 115.2419 -205553.9353 17161.1101 0.0000 0.0000 34507.6039 -148944.5122 301.3635 -183452.1161 -148847.6693 300.0275 -415.5820 -384.6651 558052.4166 12.5205 12.3882 PRESSURE: 873200 -68.3769 10.5772 -63.397 10.5771 97.1331 123.324 -63.3968 123.325 -10.5737 GPRESSURE: 873200 -2.45845 117.174 -69.3818 61.6853 74.5851 162.691 -19.8063 101.067 46.6864 PRESSAVG: 873200 -3.16569 10.7365 55.1741 10.7365 16.7498 -29.7072 55.1742 -29.7072 -25.1054 GPRESSAVG: 873200 -3.09141 12.1145 56.7759 11.2058 17.2878 -30.2714 54.3748 -28.7288 -25.3044 TIMING: 873200 CPU: 2529.48, 0.00290013/step Wall: 2529.48, 0.00290013/step, 3.32452 hours remaining, 207.011719 MB of memory in use. ENERGY: 873200 761.5987 2108.9888 1944.4034 137.2593 -206349.8461 17986.8214 0.0000 0.0000 34457.8344 -148952.9401 300.9288 -183410.7745 -148860.2807 299.6564 6.0608 39.6044 557817.4726 -3.8404 -3.7027 PRESSURE: 873400 -16.1212 99.0389 13.4998 99.0377 138.182 -28.0291 13.4997 -28.0289 -170.529 GPRESSURE: 873400 40.7442 16.0526 10.6943 69.5994 145.354 -58.8429 0.655839 24.0159 -150.882 PRESSAVG: 873400 -69.2339 20.826 1.3079 20.826 28.8866 19.468 1.30795 19.4681 78.2695 GPRESSAVG: 873400 -69.6773 17.5939 1.21002 22.865 28.8698 21.1891 3.84971 18.7561 78.7052 TIMING: 873400 CPU: 2530.06, 0.00289878/step Wall: 2530.06, 0.00289878/step, 3.3228 hours remaining, 207.011719 MB of memory in use. ENERGY: 873400 740.6837 2105.3075 1942.3952 126.2843 -206070.5915 17784.5783 0.0000 0.0000 34329.2726 -149042.0700 299.8061 -183371.3426 -148938.5588 300.0811 -16.1560 11.7387 557549.4423 12.6407 12.6326 PRESSURE: 873600 157.276 -266.227 155.593 -266.227 136.032 236.317 155.594 236.316 -122.874 GPRESSURE: 873600 161.816 -338.219 134.441 -188.04 180.217 227.095 145.11 302.284 -74.4555 PRESSAVG: 873600 -0.836454 -48.5366 -30.589 -48.5367 -12.2365 27.2607 -30.589 27.2607 -28.0841 GPRESSAVG: 873600 -0.348995 -47.4116 -29.4559 -50.1914 -11.3228 27.291 -31.7772 25.5961 -29.6515 TIMING: 873600 CPU: 2530.64, 0.0028849/step Wall: 2530.64, 0.0028849/step, 3.30674 hours remaining, 207.011719 MB of memory in use. ENERGY: 873600 773.4781 2121.4868 1948.6892 115.4255 -206299.6882 17919.8406 0.0000 0.0000 34430.5092 -148990.2589 300.6902 -183420.7681 -148894.6066 300.0737 56.8116 89.1926 556917.6021 -13.7190 -13.7744 PRESSURE: 873800 70.6619 27.0144 -11.2265 27.0138 -141.068 150.626 -11.225 150.626 25.4069 GPRESSURE: 873800 106.641 -71.5025 37.0359 28.8312 -91.6656 190.781 -45.8294 20.5326 29.2227 PRESSAVG: 873800 17.8931 -50.5317 14.8604 -50.5318 13.2647 54.9456 14.8605 54.9457 -68.4262 GPRESSAVG: 873800 18.5021 -50.0419 11.3693 -49.2651 12.2795 54.5236 15.1406 56.4757 -67.9508 TIMING: 873800 CPU: 2531.22, 0.0028956/step Wall: 2531.22, 0.0028956/step, 3.31884 hours remaining, 207.011719 MB of memory in use. ENERGY: 873800 787.3978 2055.0027 1961.7484 109.2102 -206130.1900 17730.6743 0.0000 0.0000 34386.9462 -149099.2105 300.3098 -183486.1567 -149002.4274 299.8279 -14.9996 14.7328 557333.7638 -12.4228 -12.3897 PRESSURE: 874000 -373.873 42.339 2.39815 42.3393 -70.6727 -20.1096 2.39866 -20.1094 -304.148 GPRESSURE: 874000 -359.16 41.7473 -7.70616 80.1637 -49.595 -33.7388 8.35284 -31.0875 -239.862 PRESSAVG: 874000 -35.7055 -17.6876 -20.4832 -17.6876 45.8728 7.25129 -20.4832 7.25132 14.3372 GPRESSAVG: 874000 -36.1716 -17.8542 -17.7097 -18.7586 46.0695 6.35797 -20.7127 5.68098 14.4338 TIMING: 874000 CPU: 2531.79, 0.00286688/step Wall: 2531.79, 0.00286688/step, 3.28576 hours remaining, 207.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 874000 787.6001 2158.5481 1958.3309 110.4688 -205901.5634 17538.2678 0.0000 0.0000 34345.4373 -149002.9104 299.9472 -183348.3477 -148904.0824 300.1263 -249.5648 -216.2058 559334.8718 8.1682 8.1106 PRESSURE: 874200 -149.582 13.0074 -149.633 13.0075 56.5485 -102.801 -149.633 -102.802 182.285 GPRESSURE: 874200 -136.737 8.30987 -86.3481 13.8479 100.926 -105.715 -75.7613 -172.629 216.43 PRESSAVG: 874200 -26.6188 18.0365 -11.3861 18.0365 59.9398 -58.625 -11.3861 -58.6251 -10.4806 GPRESSAVG: 874200 -26.5317 16.8133 -11.7283 18.5239 59.4183 -58.7882 -13.0828 -57.2922 -9.97138 TIMING: 874200 CPU: 2532.37, 0.00287173/step Wall: 2532.37, 0.00287173/step, 3.29116 hours remaining, 207.011719 MB of memory in use. ENERGY: 874200 763.5503 2141.7371 1955.9767 122.1420 -206036.2518 17747.8199 0.0000 0.0000 34249.2316 -149055.7942 299.1071 -183305.0258 -148964.0498 299.7707 29.7502 60.2063 556632.1263 7.6135 7.6384 PRESSURE: 874400 -95.7978 -66.1575 150.36 -66.1569 138.484 -27.6834 150.36 -27.6835 -42.7778 GPRESSURE: 874400 -66.3139 -49.4477 106.387 -77.7628 137.442 -41.0678 136.741 -10.309 10.3468 PRESSAVG: 874400 -39.0457 -4.42942 7.39286 -4.42939 10.9819 40.3333 7.39296 40.3333 58.6221 GPRESSAVG: 874400 -39.4068 -3.40324 5.53332 -3.53247 12.2091 41.457 10.0619 40.4661 58.6697 TIMING: 874400 CPU: 2532.94, 0.00287938/step Wall: 2532.94, 0.00287938/step, 3.29977 hours remaining, 207.011719 MB of memory in use. ENERGY: 874400 733.2635 2068.9356 1959.7245 122.7794 -205905.8715 17644.8157 0.0000 0.0000 34207.8529 -149168.4998 298.7457 -183376.3528 -149067.9579 299.9044 -0.0304 27.1584 558038.4780 10.1861 10.4907 PRESSURE: 874600 137.085 142.329 112.885 142.33 216.896 78.2712 112.884 78.2711 21.9027 GPRESSURE: 874600 176.62 173.719 134.995 61.5748 216.624 118.169 124.239 16.4696 82.5985 PRESSAVG: 874600 16.177 22.7602 60.0343 22.7603 -3.02303 13.076 60.0343 13.076 2.0895 GPRESSAVG: 874600 16.0959 22.5065 61.5571 22.4781 -2.66835 13.8604 60.0172 11.7235 1.95019 TIMING: 874600 CPU: 2533.52, 0.00288785/step Wall: 2533.52, 0.00288785/step, 3.30931 hours remaining, 207.011719 MB of memory in use. ENERGY: 874600 755.9881 2094.3613 1946.2103 122.5086 -206551.3309 18095.6827 0.0000 0.0000 34410.2273 -149126.3526 300.5131 -183536.5799 -149035.1187 299.8627 125.2946 158.6141 557631.8304 5.0811 5.1259 PRESSURE: 874800 -165.553 155.145 55.4271 155.145 -128.844 -38.2785 55.4277 -38.2779 162.28 GPRESSURE: 874800 -149.079 129.104 -14.5103 166.855 -26.3201 50.6817 24.5028 -38.1814 137.309 PRESSAVG: 874800 -21.7616 47.2073 57.2938 47.2073 10.3753 13.4404 57.2939 13.4403 9.54832 GPRESSAVG: 874800 -22.2306 49.2986 56.8213 46.3957 9.87169 13.9603 57.1411 14.7526 9.80964 TIMING: 874800 CPU: 2534.1, 0.00291426/step Wall: 2534.1, 0.00291426/step, 3.33942 hours remaining, 207.269531 MB of memory in use. ENERGY: 874800 743.5421 2085.1138 1964.8624 122.6390 -206059.1994 17611.7619 0.0000 0.0000 34391.6151 -149139.6651 300.3505 -183531.2803 -149035.5350 299.9023 -44.0388 -12.6968 557786.3297 -0.6127 -0.8498 PRESSURE: 875000 -68.1329 25.3605 50.2326 25.3618 -40.0232 59.9167 50.2321 59.9177 -69.5214 GPRESSURE: 875000 -41.2908 30.1512 -3.01596 24.6193 43.492 51.3041 80.2412 103.476 -92.6203 PRESSAVG: 875000 -13.6079 3.21109 14.3266 3.21115 -15.3961 -18.2728 14.3266 -18.2728 -38.0577 GPRESSAVG: 875000 -13.3354 0.502562 12.287 3.91646 -14.6401 -21.1145 17.1209 -17.9373 -38.9154 TIMING: 875000 CPU: 2534.68, 0.00290089/step Wall: 2534.68, 0.00290089/step, 3.32394 hours remaining, 207.269531 MB of memory in use. ENERGY: 875000 756.6410 2095.4325 1940.1095 111.8181 -205761.1363 17578.7740 0.0000 0.0000 34278.5358 -148999.8256 299.3630 -183278.3614 -148905.7492 299.3954 -59.2258 -30.1397 557857.7590 -22.3539 -22.2970 PRESSURE: 875200 -43.5755 76.0114 52.364 76.01 44.9473 5.70676 52.3637 5.70644 -47.9468 GPRESSURE: 875200 17.6985 119.266 -1.10355 11.9336 76.9385 -11.6181 55.9078 58.2446 -39.819 PRESSAVG: 875200 -59.5895 22.616 32.932 22.6159 24.479 -44.4291 32.932 -44.4291 48.3076 GPRESSAVG: 875200 -59.3451 23.6601 34.7886 22.0769 22.783 -43.3685 28.7126 -45.4346 49.6256 TIMING: 875200 CPU: 2535.27, 0.00291488/step Wall: 2535.27, 0.00291488/step, 3.33981 hours remaining, 207.269531 MB of memory in use. ENERGY: 875200 725.8675 2088.5315 1971.1957 116.6494 -206030.7458 17836.7096 0.0000 0.0000 34222.8899 -149068.9023 298.8770 -183291.7921 -148972.9537 299.6357 -15.5250 18.2727 559002.3123 4.3990 4.3545 PRESSURE: 875400 195.154 -15.4824 -55.5596 -15.4822 237.702 114.985 -55.5601 114.984 -219.91 GPRESSURE: 875400 208.34 37.8337 -44.3297 -155.592 281.193 45.1948 14.6833 128.697 -179.167 PRESSAVG: 875400 30.9371 28.4762 0.194856 28.4762 33.6658 34.3833 0.194859 34.3833 -67.4902 GPRESSAVG: 875400 30.0771 26.864 -0.81317 29.527 33.9985 34.8166 1.62883 34.0364 -67.3301 TIMING: 875400 CPU: 2535.85, 0.00290225/step Wall: 2535.85, 0.00290225/step, 3.32518 hours remaining, 207.269531 MB of memory in use. ENERGY: 875400 740.4363 2157.9312 1980.1792 129.3776 -206558.4097 18133.2258 0.0000 0.0000 34109.4997 -149307.7600 297.8867 -183417.2597 -149216.9476 298.7025 70.9820 103.4554 558244.3157 -0.9625 -1.0848 PRESSURE: 875600 231.969 -84.6321 12.3548 -84.6318 153.382 -73.109 12.3554 -73.1099 -105.983 GPRESSURE: 875600 233.054 -104.811 -26.8801 -102.117 172.392 -32.8868 4.53658 -86.2856 -31.1636 PRESSAVG: 875600 21.9776 -27.0309 -9.93641 -27.0309 8.5452 5.71075 -9.93638 5.71074 29.4262 GPRESSAVG: 875600 23.3773 -24.836 -10.485 -29.6511 7.6892 4.44162 -12.1419 6.82235 29.2146 TIMING: 875600 CPU: 2536.43, 0.00290429/step Wall: 2536.43, 0.00290429/step, 3.32735 hours remaining, 207.269531 MB of memory in use. ENERGY: 875600 724.5554 2098.7205 1933.7306 117.9316 -206747.0304 18119.3162 0.0000 0.0000 34340.3483 -149412.4277 299.9028 -183752.7760 -149315.6556 298.9528 93.1228 124.7610 559473.3186 19.9830 20.0937 PRESSURE: 875800 -23.4325 -26.7879 -38.6945 -26.7881 267.203 -95.3002 -38.6941 -95.2995 -119.039 GPRESSURE: 875800 20.3748 -68.4215 -109.286 1.60364 320.188 17.3533 -35.7841 -189.567 -109.773 PRESSAVG: 875800 20.5585 -54.4938 -25.6485 -54.4939 47.2508 -14.1714 -25.6486 -14.1714 -43.639 GPRESSAVG: 875800 20.9109 -54.0588 -22.9607 -53.9868 48.1362 -13.3747 -25.0361 -13.4015 -44.9447 TIMING: 875800 CPU: 2537, 0.00288396/step Wall: 2537, 0.00288396/step, 3.3039 hours remaining, 207.269531 MB of memory in use. ENERGY: 875800 765.5170 2083.5531 1949.1835 119.9322 -206521.7252 18066.5160 0.0000 0.0000 34225.3936 -149311.6297 298.8989 -183537.0233 -149218.4981 298.7767 41.5775 76.9298 559375.3123 8.0567 8.0341 PRESSURE: 876000 -64.6284 112.909 101.324 112.908 124.678 -16.7358 101.323 -16.7358 71.4561 GPRESSURE: 876000 -19.7577 112.743 167.954 90.4911 96.088 -86.3927 71.1157 52.1699 148.096 PRESSAVG: 876000 23.0327 35.7647 11.2944 35.7645 9.84342 -31.5225 11.2945 -31.5225 -2.56571 GPRESSAVG: 876000 22.3791 33.5077 9.98823 36.9896 9.5091 -30.0032 12.7477 -32.2903 -2.06123 TIMING: 876000 CPU: 2537.59, 0.00291877/step Wall: 2537.59, 0.00291877/step, 3.34361 hours remaining, 207.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 876000 734.0519 2157.4681 1925.3435 115.2661 -206033.5334 17885.7491 0.0000 0.0000 34120.4249 -149095.2298 297.9822 -183215.6547 -149010.0066 299.1623 43.8351 74.8089 558280.9445 10.1035 9.9423 PRESSURE: 876200 105.134 -57.2826 128.636 -57.2833 -187.172 -92.7143 128.637 -92.7145 -340.304 GPRESSURE: 876200 136.869 -58.8853 49.7317 -102.453 -119.377 -143.255 157.97 -41.675 -346.772 PRESSAVG: 876200 -18.7131 -10.0856 -13.037 -10.0856 -0.701603 -25.5389 -13.0369 -25.5389 17.8546 GPRESSAVG: 876200 -18.7186 -9.9229 -13.4591 -9.7513 -0.806406 -27.5784 -12.9129 -23.3796 17.758 TIMING: 876200 CPU: 2538.16, 0.00288269/step Wall: 2538.16, 0.00288269/step, 3.30212 hours remaining, 207.269531 MB of memory in use. ENERGY: 876200 738.1710 2107.5366 1937.5709 123.7606 -206113.6915 17868.0718 0.0000 0.0000 34306.6819 -149031.8987 299.6088 -183338.5806 -148937.9164 299.4693 -140.7809 -109.7598 559546.0034 -0.5200 -0.5890 LDB: ============= START OF LOAD BALANCING ============== 2541.55 LDB: ============== END OF LOAD BALANCING =============== 2541.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2541.55 LDB: ============= START OF LOAD BALANCING ============== 2541.84 LDB: Largest compute 4822 load 0.026072 is 22.1% of average load 0.117928 LDB: Average compute 0.001731 is 1.5% of average load 0.117928 LDB: TIME 2541.84 LOAD: AVG 0.117928 MAX 0.187413 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.234 MB LDB: TIME 2541.84 LOAD: AVG 0.117928 MAX 0.187413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.465 MB LDB: TIME 2541.84 LOAD: AVG 0.117928 MAX 0.187413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.465 MB LDB: ============== END OF LOAD BALANCING =============== 2541.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2541.85 PRESSURE: 876400 110.272 -116.477 174.192 -116.478 98.2026 186.639 174.192 186.639 10.0813 GPRESSURE: 876400 132.489 -39.6554 110.902 -109.231 138.188 220.725 249.329 153.886 50.8189 PRESSAVG: 876400 -17.3994 -36.5691 -30.1263 -36.5693 -4.70909 -54.4715 -30.1263 -54.4715 -18.7844 GPRESSAVG: 876400 -17.5941 -35.4405 -30.7367 -37.0083 -3.90497 -52.2307 -31.7069 -56.0113 -19.2757 TIMING: 876400 CPU: 2538.75, 0.00294332/step Wall: 2538.75, 0.00294331/step, 3.3714 hours remaining, 207.273438 MB of memory in use. ENERGY: 876400 751.9250 2086.3825 1943.7597 111.8010 -206294.1236 18048.9235 0.0000 0.0000 34154.4881 -149196.8439 298.2796 -183351.3320 -149099.4837 299.3868 72.8519 107.1654 558684.1381 -13.6310 -13.5916 PRESSURE: 876600 -94.3925 143.23 99.2971 143.23 133.933 -50.0628 99.2972 -50.0622 132.138 GPRESSURE: 876600 -21.9482 197.083 100.192 102.304 167.274 -84.8524 59.2903 51.0301 130.851 PRESSAVG: 876600 -19.2541 3.24889 -1.51891 3.24883 38.7945 -23.4662 -1.51896 -23.4662 12.9529 GPRESSAVG: 876600 -19.2762 2.40543 0.875642 4.04186 39.4019 -23.394 -1.18291 -26.719 12.4637 TIMING: 876600 CPU: 2539.33, 0.00288835/step Wall: 2539.33, 0.00288835/step, 3.30828 hours remaining, 207.730469 MB of memory in use. ENERGY: 876600 756.6406 2070.7989 1939.0409 123.7421 -206189.7343 17975.7526 0.0000 0.0000 34054.0074 -149269.7517 297.4021 -183323.7591 -149175.6035 299.0851 57.2261 92.0588 558833.3885 10.8311 10.8631 PRESSURE: 876800 -48.4384 -33.7424 209.345 -33.7417 -155.55 68.4089 209.346 68.4083 -177.698 GPRESSURE: 876800 -10.6274 -27.7978 205.592 -78.4163 -130.644 89.5308 229.254 150.095 -149.893 PRESSAVG: 876800 -1.65062 7.96663 61.7841 7.96665 -30.1257 43.964 61.7841 43.9639 86.4029 GPRESSAVG: 876800 -2.08032 8.28467 60.4758 7.20068 -30.3655 41.007 62.1121 46.8277 87.1699 TIMING: 876800 CPU: 2539.91, 0.00291863/step Wall: 2539.91, 0.00291863/step, 3.34281 hours remaining, 207.730469 MB of memory in use. ENERGY: 876800 769.8565 2044.4767 1970.6892 97.1760 -206121.5125 17808.8948 0.0000 0.0000 34183.7122 -149246.7071 298.5349 -183430.4193 -149146.4382 298.9245 -127.2289 -97.0551 559499.7662 18.2089 18.2414 PRESSURE: 877000 302.86 57.5614 32.7083 57.56 208.64 41.1225 32.7079 41.1216 -54.7598 GPRESSURE: 877000 379.619 23.1826 21.9108 28.5166 167.233 41.0466 46.4387 56.2552 7.11283 PRESSAVG: 877000 14.7495 -30.9447 35.1802 -30.9447 -35.2516 29.0013 35.1804 29.0012 8.11708 GPRESSAVG: 877000 14.223 -30.2269 33.9828 -31.2376 -34.4116 29.8263 36.3153 29.8398 7.47912 TIMING: 877000 CPU: 2540.5, 0.00294008/step Wall: 2540.5, 0.00294008/step, 3.36721 hours remaining, 207.730469 MB of memory in use. ENERGY: 877000 715.6969 2110.4927 1947.4225 109.3995 -206513.7414 18039.6595 0.0000 0.0000 34431.8946 -149159.1758 300.7023 -183591.0704 -149057.9976 299.6196 152.2469 184.6550 558933.3358 -4.1283 -4.2365 PRESSURE: 877200 -17.4415 -104.342 191.367 -104.342 52.396 47.4291 191.366 47.4306 -99.8703 GPRESSURE: 877200 -14.5547 -100.141 268.548 -43.5054 4.21558 -15.9226 103.168 18.9646 50.7432 PRESSAVG: 877200 -21.5911 -45.2925 22.9668 -45.2925 60.153 16.05 22.9668 16.0501 34.9811 GPRESSAVG: 877200 -21.2487 -47.28 26.7888 -43.2977 58.668 15.9155 21.8859 15.1857 36.169 TIMING: 877200 CPU: 2541.08, 0.00288518/step Wall: 2541.08, 0.00288518/step, 3.30417 hours remaining, 207.730469 MB of memory in use. ENERGY: 877200 731.6793 2099.2118 1964.4225 108.3170 -206070.3672 17928.1364 0.0000 0.0000 34322.6674 -148915.9328 299.7484 -183238.6003 -148818.4566 300.1030 -21.6386 13.4680 558809.4089 24.5143 24.5294 PRESSURE: 877400 -291.339 -274.572 -18.9284 -274.573 -22.0225 -149.371 -18.9286 -149.372 -270.547 GPRESSURE: 877400 -289.584 -299.14 -45.9446 -295.999 12.0404 -112.6 -108.317 -170.126 -215.314 PRESSAVG: 877400 -34.6422 -99.732 -15.1324 -99.7321 20.2053 3.79112 -15.1324 3.79097 47.903 GPRESSAVG: 877400 -34.1439 -99.4129 -15.6548 -99.7714 19.8182 2.35062 -15.7401 2.92535 48.0871 TIMING: 877400 CPU: 2541.66, 0.00289458/step Wall: 2541.66, 0.00289458/step, 3.31477 hours remaining, 207.730469 MB of memory in use. ENERGY: 877400 713.3049 2112.7277 1945.5198 113.1159 -205487.5153 17514.7314 0.0000 0.0000 34106.8708 -148981.2448 297.8638 -183088.1156 -148886.1359 300.0250 -194.6360 -164.2861 559405.6636 11.1554 11.2538 PRESSURE: 877600 99.7946 -236.953 -24.3343 -236.952 266.339 64.1481 -24.3338 64.1483 37.5356 GPRESSURE: 877600 90.8242 -151.731 -97.4994 -193.587 274.141 127.316 -8.34113 50.5474 128.309 PRESSAVG: 877600 -19.0662 -26.2023 -49.8056 -26.2023 -5.36725 -24.1235 -49.8056 -24.1235 21.1588 GPRESSAVG: 877600 -18.8695 -26.5913 -50.8411 -26.0097 -5.11813 -21.6436 -50.3188 -25.9489 20.5414 TIMING: 877600 CPU: 2542.23, 0.00287476/step Wall: 2542.23, 0.00287476/step, 3.29192 hours remaining, 207.730469 MB of memory in use. ENERGY: 877600 725.3830 2046.5368 1939.8524 104.3788 -206196.6149 18076.0504 0.0000 0.0000 34428.8560 -148875.5576 300.6758 -183304.4135 -148775.7113 299.9229 134.5565 164.4247 557934.9783 -1.0916 -1.1488 PRESSURE: 877800 -224.083 -130.148 -67.3026 -130.148 161.672 24.1272 -67.3024 24.1274 -13.2207 GPRESSURE: 877800 -229.476 -176.254 -42.3882 -185.447 236.014 27.3739 -124.436 62.5071 11.9874 PRESSAVG: 877800 -62.3734 -10.0309 -20.2602 -10.031 -3.2829 -27.2937 -20.2602 -27.2938 47.9454 GPRESSAVG: 877800 -62.2619 -8.40214 -18.6874 -10.1288 -2.62406 -28.6732 -22.1154 -25.1607 47.2659 TIMING: 877800 CPU: 2542.81, 0.00288127/step Wall: 2542.81, 0.00288127/step, 3.29921 hours remaining, 207.730469 MB of memory in use. ENERGY: 877800 769.1434 2082.9176 1930.3337 110.2746 -206102.4903 17854.3065 0.0000 0.0000 34437.0492 -148918.4653 300.7473 -183355.5145 -148819.7832 299.3850 -25.2104 6.1753 557632.4732 -5.9036 -5.8733 PRESSURE: 878000 -60.6608 -141.579 -3.0069 -141.58 -199.407 60.334 -3.00733 60.3341 -132.72 GPRESSURE: 878000 -85.4706 -164.4 -46.9982 -85.5033 -147.613 69.2461 -39.147 10.3528 -63.0314 PRESSAVG: 878000 -26.6731 -24.9106 -7.78475 -24.9107 52.8263 17.8496 -7.78477 17.8496 23.7137 GPRESSAVG: 878000 -26.712 -26.2775 -9.84397 -25.4125 51.3241 15.7333 -5.997 18.151 25.0233 TIMING: 878000 CPU: 2543.39, 0.00288425/step Wall: 2543.39, 0.00288425/step, 3.30247 hours remaining, 207.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 878000 721.7957 2099.8247 1965.0044 129.1512 -206023.6370 17823.9835 0.0000 0.0000 34375.9955 -148907.8819 300.2141 -183283.8774 -148808.7464 299.4469 -130.9291 -98.7049 560024.6493 16.6223 16.5452 PRESSURE: 878200 235.173 -120.591 -81.5243 -120.591 133.116 39.5294 -81.5248 39.5299 259.721 GPRESSURE: 878200 256.687 -54.9183 -66.3327 -122.64 198.911 62.5401 -63.4172 30.2432 261.698 PRESSAVG: 878200 -49.6303 -35.8303 -36.7788 -35.8304 -8.74727 36.6055 -36.7788 36.6056 10.9607 GPRESSAVG: 878200 -49.0871 -34.4566 -36.1671 -35.4455 -7.72672 38.1852 -36.7649 34.3 10.1827 TIMING: 878200 CPU: 2543.96, 0.00288892/step Wall: 2543.96, 0.00288892/step, 3.30765 hours remaining, 207.730469 MB of memory in use. ENERGY: 878200 748.0415 2073.0583 1945.3652 123.8719 -206360.4202 18123.7691 0.0000 0.0000 34390.4460 -148955.8681 300.3403 -183346.3141 -148854.7813 299.1445 209.3364 239.0984 558704.4979 -15.8056 -15.5437 PRESSURE: 878400 -1.87018 -125.586 -103.459 -125.585 78.4793 141.058 -103.457 141.057 93.9455 GPRESSURE: 878400 29.756 -166.535 -114.404 -119.797 99.9443 122.597 -39.2016 100.689 144.144 PRESSAVG: 878400 -27.7825 -53.0989 -45.1175 -53.0989 28.3019 -4.20913 -45.1176 -4.20907 54.251 GPRESSAVG: 878400 -27.6343 -53.1531 -46.7638 -54.4639 29.189 -4.72043 -42.319 -3.56938 53.8082 TIMING: 878400 CPU: 2544.55, 0.00292872/step Wall: 2544.55, 0.00292872/step, 3.35305 hours remaining, 207.730469 MB of memory in use. ENERGY: 878400 768.7342 2116.0249 1966.5587 124.4102 -206152.5186 17968.6638 0.0000 0.0000 34399.0629 -148809.0639 300.4156 -183208.1268 -148712.6062 299.9684 56.8515 91.2813 557774.3052 18.2568 18.4543 PRESSURE: 878600 -161.651 -6.26294 -97.4208 -6.26147 -197.593 -0.609018 -97.4194 -0.608333 73.9408 GPRESSURE: 878600 -143.197 22.3989 -94.197 -26.2042 -185.311 -59.4478 -62.5835 -30.9574 142.233 PRESSAVG: 878600 -40.199 -32.0426 -37.0334 -32.0427 -32.2298 -46.7627 -37.0334 -46.7627 80.7337 GPRESSAVG: 878600 -40.9096 -31.7141 -34.8139 -33.3342 -32.1548 -45.3774 -38.7957 -46.6205 81.2888 TIMING: 878600 CPU: 2545.13, 0.00290167/step Wall: 2545.13, 0.00290167/step, 3.32193 hours remaining, 207.785156 MB of memory in use. ENERGY: 878600 762.4140 2172.0075 1909.1606 106.6822 -206008.6735 17805.4143 0.0000 0.0000 34616.7639 -148636.2310 302.3168 -183252.9950 -148533.5014 300.9163 -95.1010 -62.0915 560094.9545 2.7683 2.7415 PRESSURE: 878800 -76.3786 22.3415 -56.7133 22.3412 -203.325 -178.565 -56.7125 -178.564 -136.143 GPRESSURE: 878800 -31.3186 -17.8592 -35.8566 4.84045 -179.862 -207.207 -37.0261 -139.684 -100.101 PRESSAVG: 878800 -16.5991 -36.3009 -54.0403 -36.3009 -55.9105 -42.4676 -54.0402 -42.4676 55.031 GPRESSAVG: 878800 -16.3992 -35.9042 -54.5741 -35.9048 -55.7512 -43.761 -53.5165 -41.4103 54.49 TIMING: 878800 CPU: 2545.71, 0.00291212/step Wall: 2545.71, 0.00291212/step, 3.33373 hours remaining, 207.785156 MB of memory in use. ENERGY: 878800 768.4249 2076.4576 1941.7633 124.1176 -205530.7951 17479.4960 0.0000 0.0000 34600.1927 -148540.3430 302.1721 -183140.5357 -148444.7734 300.2833 -138.6153 -103.7605 560223.0215 -5.8262 -5.8868 PRESSURE: 879000 158.914 145.374 44.2632 145.375 70.4587 36.1829 44.2638 36.1828 -102.608 GPRESSURE: 879000 153.213 111.077 -1.25232 182.671 93.7017 36.5144 44.2818 48.9896 -33.2013 PRESSAVG: 879000 53.7492 1.07863 11.7215 1.07861 -8.68163 -25.5721 11.7215 -25.5721 -47.5705 GPRESSAVG: 879000 54.5287 0.654142 10.0476 0.752523 -9.84506 -24.3354 12.9643 -27.7542 -46.7916 TIMING: 879000 CPU: 2546.29, 0.0028983/step Wall: 2546.29, 0.0028983/step, 3.31774 hours remaining, 207.785156 MB of memory in use. ENERGY: 879000 724.6451 2091.7244 1959.0130 109.2007 -206009.1670 17825.2097 0.0000 0.0000 34570.1897 -148729.1844 301.9101 -183299.3741 -148633.4239 301.3317 42.2551 71.2377 557837.8386 -0.8343 -0.7027 PRESSURE: 879200 252.288 51.9837 -210.855 51.9842 -5.65961 42.7029 -210.855 42.7037 -110.481 GPRESSURE: 879200 238.454 -14.9796 -167.945 63.6364 68.6852 23.5945 -233.987 9.62307 -58.4618 PRESSAVG: 879200 115.886 36.5969 9.29899 36.5968 -0.0705695 18.5314 9.29897 18.5314 -103.976 GPRESSAVG: 879200 114.52 35.2839 10.3205 39.2762 0.617149 18.0323 8.43871 20.3304 -103.366 TIMING: 879200 CPU: 2546.87, 0.00288463/step Wall: 2546.87, 0.00288463/step, 3.30194 hours remaining, 207.785156 MB of memory in use. ENERGY: 879200 745.5793 2169.6457 1931.9473 112.4070 -206336.9801 17946.4849 0.0000 0.0000 34475.4897 -148955.4262 301.0830 -183430.9159 -148860.5628 300.5403 45.3824 82.8926 557726.1760 3.9462 3.9239 PRESSURE: 879400 100.847 -85.2447 -82.7463 -85.2446 -16.3047 78.9255 -82.7471 78.9263 -32.7819 GPRESSURE: 879400 164.968 -76.3623 -120.888 -56.0976 11.1898 27.105 3.66181 182.117 -12.3589 PRESSAVG: 879400 41.8718 -23.8881 -1.78769 -23.888 -26.2728 11.5656 -1.78772 11.5656 -22.2997 GPRESSAVG: 879400 41.9685 -22.9438 -2.54671 -25.3087 -25.8177 12.5516 0.0182088 12.2425 -22.3123 TIMING: 879400 CPU: 2547.45, 0.00290317/step Wall: 2547.45, 0.00290317/step, 3.323 hours remaining, 207.785156 MB of memory in use. ENERGY: 879400 716.6124 2135.0463 1948.9055 108.2139 -206074.4013 17885.4662 0.0000 0.0000 34270.5974 -149009.5598 299.2937 -183280.1572 -148915.7972 300.0291 17.2536 54.5995 558298.5688 -2.2336 -2.0538 PRESSURE: 879600 82.5328 25.419 -59.1526 25.419 106.848 176.188 -59.151 176.189 -106.186 GPRESSURE: 879600 142.913 -28.7009 -120.443 -23.7802 147.631 2.37135 -18.4832 201.083 -113.829 PRESSAVG: 879600 18.1806 31.7099 -31.1225 31.7098 52.1271 17.2193 -31.1226 17.2193 -54.2051 GPRESSAVG: 879600 18.4777 30.4798 -30.0597 32.6223 51.0849 15.9027 -33.4976 17.1353 -53.5675 TIMING: 879600 CPU: 2548.03, 0.00291571/step Wall: 2548.03, 0.00291571/step, 3.33719 hours remaining, 207.785156 MB of memory in use. ENERGY: 879600 757.8201 2130.4893 1985.5871 126.1986 -206657.7513 17978.3508 0.0000 0.0000 34719.7782 -148959.5272 303.2165 -183679.3054 -148863.3805 300.1751 27.7316 58.9049 557542.9024 5.3675 5.3317 PRESSURE: 879800 74.7777 8.2387 50.4533 8.23955 167.822 -109.203 50.4524 -109.203 156.437 GPRESSURE: 879800 79.0123 21.0294 66.0435 47.0581 257.803 -57.8411 122.854 -72.0532 151.84 PRESSAVG: 879800 -26.1594 1.11359 -30.2529 1.11357 -15.0806 -54.4104 -30.2529 -54.4104 -11.7027 GPRESSAVG: 879800 -26.6778 2.03891 -28.3514 0.0833186 -13.3572 -52.3857 -30.1587 -56.2231 -12.7347 TIMING: 879800 CPU: 2548.62, 0.0029129/step Wall: 2548.62, 0.0029129/step, 3.33381 hours remaining, 207.785156 MB of memory in use. ENERGY: 879800 724.6171 2155.2493 1955.9137 125.4458 -206112.0554 17828.1206 0.0000 0.0000 34398.1888 -148924.5202 300.4079 -183322.7089 -148836.7075 299.9674 133.0123 162.8850 557661.4414 -17.6476 -17.5899 PRESSURE: 880000 182.471 -23.5296 3.20405 -23.5282 -302.626 -159.526 3.20447 -159.526 -126.28 GPRESSURE: 880000 163.135 -62.8029 67.9672 54.769 -233.882 -158.71 25.084 -111.56 -86.9755 PRESSAVG: 880000 74.4298 19.8157 -17.6833 19.8157 -42.652 -17.5496 -17.6833 -17.5497 20.1949 GPRESSAVG: 880000 75.2729 19.9747 -18.5676 19.2291 -43.1632 -19.4118 -18.5294 -15.153 20.2767 TIMING: 880000 CPU: 2549.2, 0.00291251/step Wall: 2549.2, 0.00291251/step, 3.33321 hours remaining, 207.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 880000 728.2462 2104.7869 1955.4888 109.4635 -205655.2754 17600.1091 0.0000 0.0000 34124.3583 -149032.8226 298.0165 -183157.1809 -148938.0106 300.3333 -82.1450 -52.5743 558479.2732 17.3242 17.4621 PRESSURE: 880200 -92.3849 55.388 51.6088 55.3881 -131.047 82.2795 51.6096 82.2786 57.4155 GPRESSURE: 880200 -8.70101 154.754 35.0456 -35.127 -140.855 59.3381 39.4791 -39.5729 77.6369 PRESSAVG: 880200 15.2113 56.0761 54.1343 56.076 -23.4393 34.4853 54.1343 34.4853 -8.01472 GPRESSAVG: 880200 14.9508 55.9565 51.4865 55.6906 -24.7548 34.4403 55.4664 31.6177 -6.50481 TIMING: 880200 CPU: 2549.78, 0.00290933/step Wall: 2549.78, 0.00290933/step, 3.3294 hours remaining, 207.785156 MB of memory in use. ENERGY: 880200 749.2238 2136.7900 1975.8191 116.7561 -206108.3559 17692.9036 0.0000 0.0000 34530.0569 -148906.8065 301.5596 -183436.8633 -148817.7914 299.7653 -55.3389 -23.9732 557668.7784 -5.4142 -5.4363 LDB: ============= START OF LOAD BALANCING ============== 2553.17 LDB: ============== END OF LOAD BALANCING =============== 2553.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2553.17 LDB: ============= START OF LOAD BALANCING ============== 2553.46 LDB: Largest compute 4822 load 0.026698 is 22.6% of average load 0.117966 LDB: Average compute 0.001722 is 1.5% of average load 0.117966 LDB: TIME 2553.46 LOAD: AVG 0.117966 MAX 0.188045 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.02 MB LDB: TIME 2553.46 LOAD: AVG 0.117966 MAX 0.188045 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: TIME 2553.46 LOAD: AVG 0.117966 MAX 0.188045 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: ============== END OF LOAD BALANCING =============== 2553.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2553.47 PRESSURE: 880400 -110.051 32.8544 -78.7015 32.8542 -186.245 -107.513 -78.7 -107.513 69.5087 GPRESSURE: 880400 -102.75 9.90982 60.6496 44.2822 -98.5661 -35.6411 -179.875 -111.41 72.0033 PRESSAVG: 880400 28.1678 25.2319 21.7184 25.2319 7.65799 -24.6163 21.7185 -24.6162 -4.10488 GPRESSAVG: 880400 27.5645 26.0898 22.9038 25.8093 9.05116 -23.6814 21.0943 -25.1476 -5.19857 TIMING: 880400 CPU: 2550.37, 0.00296261/step Wall: 2550.37, 0.00296261/step, 3.39021 hours remaining, 206.761719 MB of memory in use. ENERGY: 880400 736.5122 2136.2355 1958.9917 121.3890 -205927.9827 17679.9555 0.0000 0.0000 34284.6531 -149010.2457 299.4164 -183294.8989 -148907.0943 300.4392 -75.5958 -43.1042 557991.1437 10.5736 10.4723 PRESSURE: 880600 -33.3718 238.007 -140.496 238.006 -193.362 -50.0643 -140.497 -50.0647 149.681 GPRESSURE: 880600 39.9055 260.711 -178.478 232.37 -158.32 -54.099 -44.9043 -98.3766 142.385 PRESSAVG: 880600 -14.9091 47.4901 -20.5564 47.4901 22.6486 -11.6118 -20.5565 -11.6119 -17.7292 GPRESSAVG: 880600 -14.8488 49.55 -19.1319 45.2133 23.5336 -13.3807 -21.078 -9.49027 -18.298 TIMING: 880600 CPU: 2550.95, 0.00290876/step Wall: 2550.95, 0.00290876/step, 3.32843 hours remaining, 206.761719 MB of memory in use. ENERGY: 880600 761.2100 2074.8668 1972.0405 127.9881 -205964.5631 17681.8177 0.0000 0.0000 34413.5831 -148933.0568 300.5424 -183346.6400 -148836.3021 299.8772 -25.6841 7.9901 557530.8276 -3.3299 -3.2044 PRESSURE: 880800 -117.782 -63.3684 199.721 -63.3675 104.484 -9.64678 199.722 -9.64522 175.853 GPRESSURE: 880800 -130.236 -60.2036 120.813 -113.554 196.606 43.5139 262.251 -0.85523 195.278 PRESSAVG: 880800 5.9577 13.1194 27.1505 13.1194 -67.5065 -3.10539 27.1506 -3.10538 58.041 GPRESSAVG: 880800 6.00385 11.6354 28.3813 15.2757 -68.6124 -0.793407 28.0051 -4.27182 58.4788 TIMING: 880800 CPU: 2551.53, 0.00288116/step Wall: 2551.53, 0.00288116/step, 3.29669 hours remaining, 206.761719 MB of memory in use. ENERGY: 880800 736.6836 2051.6004 1962.8569 107.7994 -205736.5426 17633.0315 0.0000 0.0000 34342.7690 -148901.8018 299.9239 -183244.5708 -148809.5449 300.1131 54.1854 87.2161 555732.2150 -1.1693 -1.3766 PRESSURE: 881000 -53.3226 52.2682 153.571 52.2682 -247.757 85.2437 153.57 85.2454 -112.136 GPRESSURE: 881000 -43.3471 17.2756 200.653 13.8488 -181.748 -20.9687 80.5117 149.78 -85.3362 PRESSAVG: 881000 -27.0359 -4.45061 27.5458 -4.45055 -23.2605 -8.10855 27.5459 -8.10856 43.3724 GPRESSAVG: 881000 -26.7975 -5.54237 26.347 -2.58811 -22.4528 -8.97989 27.3462 -6.5173 42.2308 TIMING: 881000 CPU: 2552.11, 0.00289796/step Wall: 2552.11, 0.00289796/step, 3.31574 hours remaining, 206.761719 MB of memory in use. ENERGY: 881000 742.3588 2132.8631 1971.4178 101.7240 -205983.4636 17591.0942 0.0000 0.0000 34294.4076 -149149.5981 299.5016 -183444.0057 -149048.9439 299.5153 -137.7385 -103.4771 556614.0089 -2.3080 -2.3398 PRESSURE: 881200 128.344 -5.01234 -34.0952 -5.0117 36.0127 -23.7966 -34.0949 -23.7983 165.854 GPRESSURE: 881200 203.508 77.2123 -20.909 24.71 5.11836 -2.95195 41.2472 -18.4771 221.089 PRESSAVG: 881200 -0.98767 -11.2477 60.1269 -11.2478 -32.233 33.3869 60.127 33.3869 33.9969 GPRESSAVG: 881200 -0.0157839 -8.24223 60.044 -14.5594 -32.671 31.4823 60.0814 32.8726 33.3027 TIMING: 881200 CPU: 2552.69, 0.00290048/step Wall: 2552.69, 0.00290048/step, 3.31847 hours remaining, 206.816406 MB of memory in use. ENERGY: 881200 753.7474 2096.2724 1933.4906 124.5536 -205848.2214 17802.6309 0.0000 0.0000 34066.1698 -149071.3567 297.5083 -183137.5265 -148982.6627 300.0170 110.0704 143.2385 557137.5864 0.2587 0.2053 PRESSURE: 881400 37.526 8.40918 -99.6923 8.40861 23.991 -46.1787 -99.6912 -46.1794 -140.628 GPRESSURE: 881400 15.0349 76.766 -119.943 -18.736 71.0562 16.2731 -57.4495 -18.1656 -53.6419 PRESSAVG: 881400 -45.8865 4.04555 -49.8778 4.04553 36.6605 -5.21388 -49.8778 -5.21394 -40.6527 GPRESSAVG: 881400 -47.119 1.12961 -50.47 6.1973 35.843 -3.84554 -49.5415 -6.06722 -38.5252 TIMING: 881400 CPU: 2553.27, 0.0028928/step Wall: 2553.27, 0.0028928/step, 3.30952 hours remaining, 206.816406 MB of memory in use. ENERGY: 881400 776.7319 2093.1323 1916.0048 112.6091 -206039.4487 17760.1157 0.0000 0.0000 34317.3647 -149063.4904 299.7021 -183380.8550 -148970.7911 299.6431 -26.3703 10.8164 558019.8979 -16.6262 -16.6004 PRESSURE: 881600 201.473 -35.8824 -65.2119 -35.8833 268.188 -26.2505 -65.2122 -26.2491 -40.1537 GPRESSURE: 881600 220.249 33.5716 -88.1305 -50.8593 262.482 -4.41816 -44.9735 -7.24196 45.8932 PRESSAVG: 881600 -80.4054 41.0509 2.05656 41.0509 68.4015 -5.29979 2.05646 -5.29975 3.41128 GPRESSAVG: 881600 -79.9283 41.0336 2.91913 40.6337 68.5709 -6.05059 3.17218 -4.18471 2.93565 TIMING: 881600 CPU: 2553.85, 0.00289417/step Wall: 2553.85, 0.00289417/step, 3.31093 hours remaining, 206.816406 MB of memory in use. ENERGY: 881600 773.1537 2062.7191 1978.1219 114.3031 -206590.2746 18116.0239 0.0000 0.0000 34535.1873 -149010.7658 301.6044 -183545.9531 -148913.2067 299.5533 143.1690 176.2081 557395.9935 -2.8642 -2.8072 PRESSURE: 881800 -369.305 65.0853 -46.087 65.0852 -25.1504 -112.642 -46.0877 -112.642 -143.925 GPRESSURE: 881800 -312.938 75.8059 -61.7327 87.3313 -52.9203 -45.4861 92.8681 -131.732 -77.8595 PRESSAVG: 881800 -20.9664 28.7041 15.1653 28.7041 44.6339 -21.9246 15.1653 -21.9245 33.0378 GPRESSAVG: 881800 -20.0433 28.297 14.7318 29.9496 44.7555 -22.9 12.9949 -22.6484 32.1471 TIMING: 881800 CPU: 2554.43, 0.00290356/step Wall: 2554.43, 0.00290356/step, 3.32151 hours remaining, 206.816406 MB of memory in use. ENERGY: 881800 735.6269 2080.9085 1944.6900 106.1391 -205920.8638 17626.6404 0.0000 0.0000 34088.7010 -149338.1579 297.7051 -183426.8589 -149247.2667 299.5098 -179.4602 -147.9060 557818.9233 18.9018 18.9531 PRESSURE: 882000 -122.584 38.3148 92.9699 38.3161 -171.562 -110.5 92.9709 -110.499 -138.63 GPRESSURE: 882000 -111.682 0.925592 20.9853 118.852 -106.106 -150.502 117.183 -50.5068 -102.388 PRESSAVG: 882000 -81.377 77.1345 36.7099 77.1345 21.9808 -41.5925 36.71 -41.5924 63.4588 GPRESSAVG: 882000 -82.4683 77.2924 35.5504 74.9005 22.8706 -41.0515 38.0414 -39.2999 63.3636 TIMING: 882000 CPU: 2555.01, 0.00292231/step Wall: 2555.01, 0.00292231/step, 3.3428 hours remaining, 206.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 882000 737.5024 2051.1874 1960.4692 117.7124 -205771.0797 17515.5643 0.0000 0.0000 34059.5790 -149329.0651 297.4508 -183388.6441 -149230.1939 298.3927 -144.2585 -106.7256 557476.9879 1.3542 1.2553 PRESSURE: 882200 -97.2256 62.1809 -294.542 62.1812 -140.749 -22.8148 -294.543 -22.8171 -575.821 GPRESSURE: 882200 -69.606 118.01 -279.291 118.344 -149.225 -31.5138 -285.949 -73.2672 -504.124 PRESSAVG: 882200 -35.9246 21.9582 11.6832 21.9581 18.5831 -42.5207 11.6831 -42.5206 25.4828 GPRESSAVG: 882200 -35.3549 23.8904 11.4827 22.0535 17.7901 -39.6211 11.7409 -44.1622 25.7214 TIMING: 882200 CPU: 2555.59, 0.00289572/step Wall: 2555.59, 0.00289572/step, 3.31223 hours remaining, 206.816406 MB of memory in use. ENERGY: 882200 733.2255 2118.2235 1967.0758 109.1542 -206009.2418 17459.0186 0.0000 0.0000 34150.4791 -149472.0650 298.2446 -183622.5442 -149374.5441 298.5997 -271.2654 -240.9852 556672.6783 2.7138 2.7189 PRESSURE: 882400 187.585 -128.523 133.224 -128.523 243.98 -136.062 133.223 -136.064 -99.9698 GPRESSURE: 882400 201.554 -96.9772 110.542 -111.712 313.864 -165.176 86.1497 -188.701 -92.1137 PRESSAVG: 882400 -29.5924 -42.5297 -40.035 -42.5297 6.3235 -33.0571 -40.035 -33.057 33.2826 GPRESSAVG: 882400 -29.9082 -43.113 -37.5815 -42.2926 6.76958 -34.9599 -42.0118 -34.3965 33.107 TIMING: 882400 CPU: 2556.17, 0.00289296/step Wall: 2556.17, 0.00289296/step, 3.3089 hours remaining, 206.816406 MB of memory in use. ENERGY: 882400 737.5843 2064.7268 1948.7523 102.2462 -206296.6894 17813.2899 0.0000 0.0000 34293.6931 -149336.3968 299.4954 -183630.0899 -149241.1876 298.7941 110.5320 141.1016 556212.5626 3.3379 3.3228 PRESSURE: 882600 129.703 -176.634 -5.65198 -176.635 -86.4213 71.4554 -5.65168 71.4569 -58.6482 GPRESSURE: 882600 193.53 -118.264 -68.7765 -195.067 -77.5992 109.728 101.703 20.8593 -25.7774 PRESSAVG: 882600 -28.7408 -23.9273 17.5658 -23.9274 -9.31804 -18.0154 17.5657 -18.0154 -5.13249 GPRESSAVG: 882600 -28.7613 -23.2449 15.113 -25.6161 -9.76244 -17.3614 18.8957 -17.0485 -4.61463 TIMING: 882600 CPU: 2556.74, 0.00287038/step Wall: 2556.74, 0.00287038/step, 3.28292 hours remaining, 206.816406 MB of memory in use. ENERGY: 882600 723.4935 2099.4776 1949.8627 102.4584 -206664.6259 18047.1982 0.0000 0.0000 34258.3683 -149483.7672 299.1869 -183742.1355 -149384.9201 299.1352 -5.1222 30.0512 556517.7245 -14.3971 -14.3795 PRESSURE: 882800 -83.3381 0.1327 20.2472 0.132376 29.1142 -145.097 20.2457 -145.098 225.1 GPRESSURE: 882800 -21.0641 -59.3077 23.9897 8.3879 102.789 -97.3574 67.6743 -183.769 193.083 PRESSAVG: 882800 -2.16017 10.3982 -37.654 10.3982 -8.44578 -45.093 -37.6541 -45.093 29.497 GPRESSAVG: 882800 -3.59316 8.59067 -36.7254 13.2881 -6.79854 -45.4628 -40.4033 -45.6354 29.5564 TIMING: 882800 CPU: 2557.32, 0.00288362/step Wall: 2557.32, 0.00288362/step, 3.2979 hours remaining, 206.816406 MB of memory in use. ENERGY: 882800 728.5071 2065.3733 1952.7576 108.2318 -206420.7644 18030.9487 0.0000 0.0000 34128.0109 -149406.9351 298.0484 -183534.9460 -149324.9464 298.3731 56.9586 91.6027 557490.2370 6.2970 6.3882 PRESSURE: 883000 -306.898 -13.765 43.8751 -13.7652 -178.566 -0.627494 43.8766 -0.627745 -42.9682 GPRESSURE: 883000 -262.715 -6.18554 8.07779 19.0936 -162.035 -30.0975 25.2526 76.6623 -10.8173 PRESSAVG: 883000 -19.1861 60.0655 -1.73879 60.0655 -8.36933 15.5899 -1.73879 15.5899 19.645 GPRESSAVG: 883000 -18.4279 62.1318 -2.78793 60.112 -9.21646 15.19 2.29023 17.3343 19.464 TIMING: 883000 CPU: 2557.9, 0.00289888/step Wall: 2557.9, 0.00289888/step, 3.31519 hours remaining, 206.816406 MB of memory in use. ENERGY: 883000 760.1482 2078.1992 1964.3902 115.4976 -205952.9715 17441.6497 0.0000 0.0000 34134.1828 -149458.9038 298.1023 -183593.0866 -149361.9754 298.6782 -176.1440 -145.1892 558794.7232 -2.6368 -2.7268 PRESSURE: 883200 2.26827 -62.2675 -26.358 -62.2659 548.564 -54.5837 -26.3585 -54.5828 28.9552 GPRESSURE: 883200 34.6043 -92.6104 -81.1017 -37.7803 520.362 -78.8604 -60.7679 -26.4414 108.84 PRESSAVG: 883200 -25.201 14.4706 -82.1379 14.4705 42.0532 52.4722 -82.1378 52.4723 -14.8497 GPRESSAVG: 883200 -24.3817 13.1388 -83.9733 13.6408 41.5463 52.9554 -81.3034 53.1819 -15.2396 TIMING: 883200 CPU: 2558.48, 0.00287055/step Wall: 2558.48, 0.00287055/step, 3.28263 hours remaining, 206.816406 MB of memory in use. ENERGY: 883200 745.0262 2163.3511 1908.1289 111.9638 -207016.0000 18316.2778 0.0000 0.0000 34184.7571 -149586.4951 298.5440 -183771.2522 -149490.4840 298.4235 193.2625 221.2687 556603.5963 0.6675 0.6417 PRESSURE: 883400 -208.13 7.53279 -145.865 7.53184 -387.337 55.3365 -145.866 55.3367 -318.189 GPRESSURE: 883400 -151.352 -42.5113 -113.654 5.77404 -400.608 39.0789 -110.679 1.44384 -257.708 PRESSAVG: 883400 -25.877 -46.8421 -73.0823 -46.8421 17.223 27.9546 -73.0823 27.9546 29.7258 GPRESSAVG: 883400 -26.2596 -47.5071 -69.7602 -46.2834 18.2471 26.2532 -75.5992 27.2351 29.5766 TIMING: 883400 CPU: 2559.05, 0.00289381/step Wall: 2559.05, 0.00289381/step, 3.30907 hours remaining, 206.816406 MB of memory in use. ENERGY: 883400 766.9323 2088.0001 1925.8066 104.8363 -206046.4614 17428.9969 0.0000 0.0000 34152.4537 -149579.4356 298.2619 -183731.8892 -149492.3449 298.8316 -304.5517 -269.8891 557489.6417 7.0240 7.1880 PRESSURE: 883600 -164.548 108.094 -200.546 108.094 -127.835 -279.004 -200.544 -279.004 -33.7507 GPRESSURE: 883600 -136.877 104.506 -275.358 31.4266 -29.4824 -339.799 -212.141 -293.511 -61.4043 PRESSAVG: 883600 -27.2402 13.7207 0.656036 13.7208 -9.76362 10.7917 0.656083 10.7917 9.49547 GPRESSAVG: 883600 -27.3501 14.1734 -0.0449199 14.1029 -10.0998 11.2319 1.64561 10.3234 9.81112 TIMING: 883600 CPU: 2559.64, 0.00292833/step Wall: 2559.64, 0.00292833/step, 3.34838 hours remaining, 206.816406 MB of memory in use. ENERGY: 883600 745.5336 2130.2313 1941.0274 120.6598 -206201.8202 17756.0921 0.0000 0.0000 34098.3562 -149409.9198 297.7894 -183508.2760 -149316.7886 298.2385 -108.7114 -75.9211 559478.9984 -9.1695 -9.2130 PRESSURE: 883800 -182.774 85.5343 142.918 85.5352 6.56151 -23.8991 142.919 -23.8986 20.4613 GPRESSURE: 883800 -153.871 145.931 133.042 103.12 87.266 -10.0562 133.509 -19.0698 3.12194 PRESSAVG: 883800 -47.7692 8.76986 -16.4672 8.76985 -45.4269 -31.9354 -16.4672 -31.9354 58.8323 GPRESSAVG: 883800 -48.6634 9.5048 -16.2868 7.20448 -45.3947 -31.7935 -15.9258 -30.6555 59.9187 TIMING: 883800 CPU: 2560.22, 0.00292352/step Wall: 2560.22, 0.00292352/step, 3.34272 hours remaining, 206.878906 MB of memory in use. ENERGY: 883800 777.5156 2117.9294 1947.8563 115.6231 -206075.5889 17693.7335 0.0000 0.0000 34067.0148 -149355.9162 297.5157 -183422.9311 -149271.7199 298.4379 -51.9170 -21.1610 557557.2335 -11.4546 -11.3798 PRESSURE: 884000 72.5199 110.369 -150.256 110.369 -65.7804 -151.537 -150.257 -151.537 90.3798 GPRESSURE: 884000 72.0357 49.7542 -199.119 83.1098 8.05304 -120.825 -102.192 -187.244 113.163 PRESSAVG: 884000 -54.97 -11.3475 -7.77595 -11.3476 10.1298 -12.8227 -7.7759 -12.8227 70.1468 GPRESSAVG: 884000 -53.8939 -13.2381 -9.79624 -9.52475 10.5969 -11.883 -7.94227 -12.9385 68.6785 TIMING: 884000 CPU: 2560.8, 0.00290201/step Wall: 2560.8, 0.00290201/step, 3.31796 hours remaining, 206.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 884000 761.0294 2088.7018 1967.4253 113.3175 -206372.1207 18059.5875 0.0000 0.0000 34252.0560 -149130.0031 299.1317 -183382.0591 -149033.8248 298.2668 32.3731 64.4171 558235.8716 8.4355 8.4605 PRESSURE: 884200 -19.6196 43.8057 54.3149 43.8061 22.1613 -68.7121 54.3146 -68.7133 -20.6846 GPRESSURE: 884200 -5.64565 -27.5753 78.5837 173.346 45.0064 2.21359 71.8827 -151.866 43.3642 PRESSAVG: 884200 -1.53587 -34.7692 -14.5632 -34.7691 -23.8131 -47.8881 -14.5633 -47.8881 1.74926 GPRESSAVG: 884200 -1.65066 -32.3717 -12.4851 -35.6233 -23.664 -45.9479 -15.9117 -48.6337 1.69347 TIMING: 884200 CPU: 2561.39, 0.00291189/step Wall: 2561.39, 0.00291189/step, 3.3291 hours remaining, 206.878906 MB of memory in use. ENERGY: 884200 733.7015 2111.3024 1924.6631 112.9176 -205816.5194 17642.8761 0.0000 0.0000 34204.5553 -149086.5034 298.7169 -183291.0587 -148999.6933 299.3558 -6.0476 27.5750 559034.3971 -7.8666 -7.8737 LDB: ============= START OF LOAD BALANCING ============== 2564.78 LDB: ============== END OF LOAD BALANCING =============== 2564.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2564.78 LDB: ============= START OF LOAD BALANCING ============== 2565.07 LDB: Largest compute 4820 load 0.026419 is 22.4% of average load 0.118014 LDB: Average compute 0.001721 is 1.5% of average load 0.118014 LDB: TIME 2565.07 LOAD: AVG 0.118014 MAX 0.18593 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.266 MB LDB: TIME 2565.07 LOAD: AVG 0.118014 MAX 0.18593 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: TIME 2565.07 LOAD: AVG 0.118014 MAX 0.18593 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2565.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2565.08 PRESSURE: 884400 -76.9189 -63.7264 1.8468 -63.7265 -212.402 -57.8138 1.84554 -57.8138 -271.816 GPRESSURE: 884400 -71.5752 -110.045 -39.0109 -28.0018 -155.146 -102.161 -47.726 -58.5946 -238.344 PRESSAVG: 884400 -38.1461 14.0257 -3.89627 14.0257 -14.5919 -59.6881 -3.89622 -59.688 16.2215 GPRESSAVG: 884400 -38.2469 12.4152 -4.10877 14.3835 -14.3635 -62.3448 -3.59671 -58.3552 16.0301 TIMING: 884400 CPU: 2561.98, 0.00298255/step Wall: 2561.98, 0.00298255/step, 3.40971 hours remaining, 207.453125 MB of memory in use. ENERGY: 884400 760.2551 2131.0741 1912.6110 107.1785 -205491.8221 17511.6468 0.0000 0.0000 34193.3454 -148875.7113 298.6190 -183069.0566 -148780.4048 299.7891 -187.0459 -155.0218 559299.4101 -12.1722 -12.1934 PRESSURE: 884600 -62.3433 18.7652 -107.505 18.7654 185.903 142.593 -107.506 142.593 -39.3559 GPRESSURE: 884600 -36.2913 -36.9333 -169.487 64.9994 224.542 157.413 18.1845 69.4189 4.48638 PRESSAVG: 884600 -4.01944 18.5161 23.4859 18.5161 14.3038 -74.9259 23.4859 -74.9259 -9.84016 GPRESSAVG: 884600 -3.67803 18.1408 23.9223 17.9485 13.8771 -73.1105 23.3778 -78.868 -9.76322 TIMING: 884600 CPU: 2562.57, 0.00291371/step Wall: 2562.57, 0.00291371/step, 3.33086 hours remaining, 207.453125 MB of memory in use. ENERGY: 884600 745.5748 2145.2411 1940.3907 107.8130 -206153.7405 17949.3875 0.0000 0.0000 34337.2316 -148928.1018 299.8756 -183265.3334 -148829.8858 299.6874 28.0680 64.2457 557984.6520 0.1481 0.1453 PRESSURE: 884800 282.085 145.975 42.5284 145.974 132.738 135.739 42.528 135.738 203.665 GPRESSURE: 884800 303.889 142.472 125.705 59.2904 209.309 132.633 20.4488 94.1713 201.052 PRESSAVG: 884800 -51.6782 -24.7363 -3.65316 -24.7363 10.7837 -27.034 -3.65322 -27.034 62.7181 GPRESSAVG: 884800 -52.8225 -22.0391 -2.71734 -26.4643 10.9429 -26.8214 -3.92665 -26.0153 63.3827 TIMING: 884800 CPU: 2563.15, 0.00293892/step Wall: 2563.15, 0.00293892/step, 3.35952 hours remaining, 207.453125 MB of memory in use. ENERGY: 884800 755.1905 2128.6705 1934.6603 111.8104 -206385.4553 18215.8147 0.0000 0.0000 34497.8996 -148741.4093 301.2787 -183239.3089 -148645.5704 300.9002 206.1624 238.0833 558350.3750 7.2745 7.1677 PRESSURE: 885000 44.1328 -92.1832 32.0261 -92.1831 -93.6316 -261.843 32.0265 -261.843 -51.0246 GPRESSURE: 885000 81.4036 -81.1266 20.8449 -87.5611 -62.7072 -199.508 32.9137 -320.485 -22.1992 PRESSAVG: 885000 47.335 -12.5962 25.4104 -12.5961 -34.3989 0.997078 25.4104 0.997124 -15.487 GPRESSAVG: 885000 48.2463 -14.308 22.9957 -10.0656 -34.7908 -0.243932 26.0654 1.3019 -16.2485 TIMING: 885000 CPU: 2563.74, 0.00291139/step Wall: 2563.74, 0.00291139/step, 3.32788 hours remaining, 207.453125 MB of memory in use. ENERGY: 885000 780.8978 2110.2300 1964.2328 124.7197 -205581.0417 17719.2227 0.0000 0.0000 34021.8712 -148859.8675 297.1215 -182881.7387 -148767.2872 300.8173 -33.5078 -1.1676 558055.9589 -0.8503 -0.9310 PRESSURE: 885200 19.7358 -140.099 22.9373 -140.1 -0.76641 -8.1704 22.9371 -8.16962 -179.211 GPRESSURE: 885200 24.1215 -182.412 50.0012 -156.873 20.9567 62.6502 26.4475 24.1906 -112.123 PRESSAVG: 885200 17.5699 -29.5378 24.769 -29.5379 -18.9696 -4.07619 24.769 -4.07613 24.2146 GPRESSAVG: 885200 18.0033 -28.9626 24.529 -29.5764 -18.6548 -2.93537 25.7629 -4.52092 23.5918 TIMING: 885200 CPU: 2564.32, 0.00289827/step Wall: 2564.32, 0.00289827/step, 3.31273 hours remaining, 207.453125 MB of memory in use. ENERGY: 885200 770.9208 2044.0102 1929.8264 97.5879 -206245.7171 17927.7978 0.0000 0.0000 34531.0210 -148944.5530 301.5680 -183475.5740 -148841.5288 300.6603 -53.4139 -22.3482 557684.3421 7.6050 7.6468 PRESSURE: 885400 -158.014 0.510551 67.1978 0.510333 -7.6214 10.8741 67.1976 10.8747 280.143 GPRESSURE: 885400 -83.2936 -7.14293 79.1774 15.4945 -0.115064 -21.2749 40.263 38.9774 291.253 PRESSAVG: 885400 71.0808 -6.62133 -6.56355 -6.62136 -55.465 13.2889 -6.56375 13.2888 -52.3902 GPRESSAVG: 885400 70.7085 -5.55546 -5.90827 -7.59453 -54.4141 12.2141 -8.11351 14.4628 -53.4155 TIMING: 885400 CPU: 2564.89, 0.00288763/step Wall: 2564.89, 0.00288763/step, 3.3004 hours remaining, 207.453125 MB of memory in use. ENERGY: 885400 712.1060 2079.2657 1964.0380 113.3000 -206050.6365 17677.8957 0.0000 0.0000 34458.7892 -149045.2421 300.9372 -183504.0313 -148943.0871 299.8591 38.1694 69.2816 557084.4267 -12.2582 -12.3737 PRESSURE: 885600 145.472 76.2914 -18.9937 76.2899 97.3619 -50.0681 -18.9935 -50.0691 171.52 GPRESSURE: 885600 200.344 -21.8056 -17.001 142.341 163.682 -24.1212 2.41048 -60.4664 147.504 PRESSAVG: 885600 46.6323 -56.8288 -20.256 -56.8288 14.0305 -8.1418 -20.256 -8.14182 0.417796 GPRESSAVG: 885600 46.3732 -59.0824 -20.1245 -55.5689 14.3413 -7.516 -18.8165 -8.45687 0.705782 TIMING: 885600 CPU: 2565.47, 0.00288512/step Wall: 2565.47, 0.00288512/step, 3.29738 hours remaining, 207.453125 MB of memory in use. ENERGY: 885600 734.5132 2088.1416 1961.5338 116.9377 -206521.2353 18056.1118 0.0000 0.0000 34558.6038 -149005.3934 301.8089 -183563.9972 -148908.4092 299.8245 138.1181 170.5101 556742.3129 20.3602 20.4734 PRESSURE: 885800 -435.758 -95.7402 -74.8685 -95.7399 -145.097 190.654 -74.869 190.654 -46.5221 GPRESSURE: 885800 -381.42 -141.734 3.16825 -124.834 -151.533 129.974 -139.443 158.788 10.5154 PRESSAVG: 885800 31.4013 -27.9836 -29.9917 -27.9837 -53.4136 38.1724 -29.9917 38.1723 29.2746 GPRESSAVG: 885800 31.9389 -28.4595 -30.6013 -31.0207 -55.4203 38.3008 -30.6525 38.9844 30.6126 TIMING: 885800 CPU: 2566.05, 0.00288569/step Wall: 2566.05, 0.00288569/step, 3.29786 hours remaining, 207.710938 MB of memory in use. ENERGY: 885800 737.4540 2119.5747 1936.6318 122.3125 -205668.3175 17489.2665 0.0000 0.0000 34239.7397 -149023.3384 299.0242 -183263.0781 -148930.4358 299.6519 -209.1257 -174.1457 558634.8131 2.4208 2.3770 PRESSURE: 886000 -327.418 200.085 -118.152 200.084 -43.0092 55.5217 -118.152 55.5226 -26.331 GPRESSURE: 886000 -274.474 252.274 12.423 204.621 -36.3321 72.307 -91.3907 37.9836 9.93088 PRESSAVG: 886000 -31.6035 19.1906 25.0526 19.1904 -13.193 23.8811 25.0527 23.8812 60.6759 GPRESSAVG: 886000 -30.9123 20.7204 27.9476 22.0717 -14.1222 25.0009 24.5386 22.0492 60.7301 TIMING: 886000 CPU: 2566.63, 0.00289218/step Wall: 2566.63, 0.00289218/step, 3.30512 hours remaining, 207.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 886000 742.2514 2093.6469 1969.9231 112.8621 -205645.2117 17374.8907 0.0000 0.0000 34393.5618 -148958.0757 300.3675 -183351.6375 -148865.6819 300.4042 -132.2527 -100.2918 557619.8669 5.2931 5.2319 PRESSURE: 886200 121.788 94.7303 120.302 94.7303 67.1214 56.1605 120.301 56.1612 187.378 GPRESSURE: 886200 135.496 106.22 137.781 113.084 116.126 28.2356 131.569 112.456 226.864 PRESSAVG: 886200 -98.549 30.6306 -7.66733 30.6307 40.124 24.3074 -7.66731 24.3074 46.6975 GPRESSAVG: 886200 -99.261 29.1084 -9.58341 30.6368 41.9379 21.8632 -6.93066 25.8812 46.2633 TIMING: 886200 CPU: 2567.21, 0.0029059/step Wall: 2567.21, 0.0029059/step, 3.32064 hours remaining, 207.710938 MB of memory in use. ENERGY: 886200 749.3938 2052.2127 1969.9061 105.1151 -206139.6288 17969.2407 0.0000 0.0000 34471.6224 -148822.1380 301.0493 -183293.7604 -148720.8792 300.0057 125.4292 159.4951 557166.6114 -3.9092 -3.6866 PRESSURE: 886400 14.4573 59.6268 65.4377 59.624 41.4901 52.5802 65.4384 52.5807 101.101 GPRESSURE: 886400 41.7754 68.3351 57.2161 68.0194 53.616 1.45182 -30.5897 3.59342 162.354 PRESSAVG: 886400 -41.4207 -45.3702 15.3416 -45.3702 55.3265 -16.455 15.3416 -16.4551 23.8895 GPRESSAVG: 886400 -41.2192 -43.4203 15.2289 -47.5345 54.1979 -15.6932 14.8986 -16.8832 24.6395 TIMING: 886400 CPU: 2567.79, 0.0028951/step Wall: 2567.79, 0.0028951/step, 3.30813 hours remaining, 207.710938 MB of memory in use. ENERGY: 886400 739.2436 2087.7926 1958.7002 110.4988 -206051.5057 18013.8342 0.0000 0.0000 34338.2967 -148803.1397 299.8849 -183141.4364 -148708.2195 300.6642 52.3494 85.9152 557283.4910 12.5984 12.5394 PRESSURE: 886600 82.2343 -117.786 62.1597 -117.787 -301.795 -1.26246 62.1615 -1.26297 -120.521 GPRESSURE: 886600 89.7976 -219.199 83.0365 -119.663 -240.248 57.2381 12.7131 -33.4102 -83.768 PRESSAVG: 886600 46.1247 34.1736 7.52458 34.1736 -9.35781 -7.60375 7.52462 -7.60384 -11.6249 GPRESSAVG: 886600 46.6698 31.764 9.293 37.9584 -10.194 -7.60983 6.1739 -7.33387 -11.7961 TIMING: 886600 CPU: 2568.37, 0.00289642/step Wall: 2568.37, 0.00289642/step, 3.30948 hours remaining, 207.710938 MB of memory in use. ENERGY: 886600 776.8623 2100.0578 1956.6547 133.3916 -205961.7600 17803.6424 0.0000 0.0000 34495.0966 -148696.0546 301.2543 -183191.1512 -148605.0228 300.8515 -113.3606 -78.0726 559694.6621 8.3806 8.2266 PRESSURE: 886800 9.72732 -154.358 32.1409 -154.359 -55.1604 -119.593 32.1402 -119.594 -96.8541 GPRESSURE: 886800 19.1302 -199.093 89.6726 -156.573 -5.82132 -77.1466 23.3049 -29.83 -73.2425 PRESSAVG: 886800 27.045 -11.9855 -18.863 -11.9855 -21.5878 6.01588 -18.8629 6.01594 6.01664 GPRESSAVG: 886800 25.6921 -11.5765 -20.5208 -12.3163 -21.1093 5.72707 -18.8469 6.24706 6.47036 TIMING: 886800 CPU: 2568.95, 0.00292506/step Wall: 2568.95, 0.00292506/step, 3.34205 hours remaining, 207.777344 MB of memory in use. ENERGY: 886800 751.9772 2079.7872 1990.9138 109.5765 -206004.6830 17720.4045 0.0000 0.0000 34711.9834 -148640.0404 303.1484 -183352.0238 -148543.1508 300.9178 -47.4290 -19.9779 558537.2967 3.8246 3.6844 PRESSURE: 887000 -6.33339 -119.284 107.825 -119.283 -92.1063 -4.49146 107.827 -4.49219 -127.849 GPRESSURE: 887000 -17.5007 -98.598 102.082 -91.4637 -30.8218 -115.217 55.2332 -32.2378 -88.8158 PRESSAVG: 887000 -11.121 -35.7422 -13.999 -35.7422 38.0904 -12.0439 -13.9989 -12.0439 -13.0852 GPRESSAVG: 887000 -10.7519 -36.5512 -14.6953 -36.8445 38.0391 -11.7964 -12.9028 -13.1858 -13.3281 TIMING: 887000 CPU: 2569.53, 0.00290767/step Wall: 2569.53, 0.00290767/step, 3.32202 hours remaining, 207.777344 MB of memory in use. ENERGY: 887000 707.5260 2061.7961 1974.2699 115.4539 -205066.1885 17404.4446 0.0000 0.0000 34126.2400 -148676.4580 298.0329 -182802.6980 -148576.8322 301.1309 -75.4297 -45.7128 559228.7511 4.6281 4.6530 PRESSURE: 887200 -327.909 13.9191 -106.976 13.919 158.025 -41.9432 -106.976 -41.9452 -362.973 GPRESSURE: 887200 -263.592 41.9586 -112.155 50.7817 141.914 -67.9578 -101.926 -22.5874 -324.07 PRESSAVG: 887200 38.4147 9.00547 38.57 9.0055 20.409 -43.9397 38.57 -43.9397 -42.6817 GPRESSAVG: 887200 38.0809 10.9807 37.1588 7.88511 20.2331 -44.0348 38.4281 -42.2378 -42.1584 TIMING: 887200 CPU: 2570.11, 0.00290181/step Wall: 2570.11, 0.00290181/step, 3.31516 hours remaining, 207.777344 MB of memory in use. ENERGY: 887200 732.9141 2115.4589 1954.3503 116.0829 -205674.3249 17517.6467 0.0000 0.0000 34567.1442 -148670.7279 301.8835 -183237.8721 -148564.9573 300.4448 -177.6188 -148.5827 558352.5732 5.3807 5.3852 PRESSURE: 887400 -120.868 -148.936 -187.825 -148.935 -52.7105 -156.418 -187.825 -156.419 -134.345 GPRESSURE: 887400 -61.7442 -111.188 -259.512 -175.4 -44.4988 -174.674 -149.032 -104.634 -110.138 PRESSAVG: 887400 13.4128 -4.21641 -5.33374 -4.2164 11.3124 -46.2916 -5.33383 -46.2917 -43.2715 GPRESSAVG: 887400 13.4381 -5.39998 -3.22673 -4.25892 11.0626 -45.5987 -5.98457 -47.3288 -42.8891 TIMING: 887400 CPU: 2570.69, 0.00289745/step Wall: 2570.69, 0.00289745/step, 3.31002 hours remaining, 207.777344 MB of memory in use. ENERGY: 887400 785.7398 2167.3040 1938.0551 113.5121 -205779.6193 17649.4319 0.0000 0.0000 34380.8159 -148744.7607 300.2562 -183125.5766 -148653.4266 300.7813 -102.6412 -72.1271 557557.1468 -6.1821 -6.1295 PRESSURE: 887600 -142.305 -200.106 -80.022 -200.106 -11.5307 110.2 -80.0208 110.2 -63.9268 GPRESSURE: 887600 -129.366 -179.396 -4.97245 -214.548 51.2565 121.039 -120.276 46.8262 -56.6961 PRESSAVG: 887600 8.1634 19.2663 25.6767 19.2663 4.19938 -37.3551 25.6767 -37.355 21.3191 GPRESSAVG: 887600 9.05165 18.3221 25.7184 18.4953 3.92379 -40.0199 26.7912 -36.387 20.3675 TIMING: 887600 CPU: 2571.27, 0.00289789/step Wall: 2571.27, 0.00289789/step, 3.31035 hours remaining, 207.777344 MB of memory in use. ENERGY: 887600 751.8504 2091.9529 1941.0363 116.3219 -205938.4654 17663.9034 0.0000 0.0000 34483.1519 -148890.2487 301.1499 -183373.4006 -148786.8258 300.2666 -72.5874 -44.9353 557616.7970 11.2273 11.1143 PRESSURE: 887800 189.572 -50.0198 -7.59584 -50.019 44.699 64.1594 -7.59614 64.1605 -14.8748 GPRESSURE: 887800 158.332 76.1825 -7.93171 -81.8935 120.228 125.518 -48.3346 68.0622 24.9946 PRESSAVG: 887800 -67.037 -8.34278 11.4175 -8.34287 -29.5288 -39.2493 11.4175 -39.2491 61.0527 GPRESSAVG: 887800 -67.3023 -6.20128 12.1446 -8.77406 -28.9452 -38.1006 10.6101 -40.4755 60.9321 TIMING: 887800 CPU: 2571.85, 0.00290023/step Wall: 2571.85, 0.00290023/step, 3.31287 hours remaining, 207.777344 MB of memory in use. ENERGY: 887800 733.4593 2104.9241 1968.4564 106.6850 -206026.8346 17848.0594 0.0000 0.0000 34435.9325 -148829.3180 300.7376 -183265.2504 -148739.2891 299.8870 73.1321 101.1850 557023.8514 -11.8377 -11.7718 PRESSURE: 888000 -127.747 -12.4096 156.913 -12.4101 47.8974 -6.36888 156.914 -6.36824 320.586 GPRESSURE: 888000 -44.4189 96.5941 205.774 -24.5567 55.3083 34.7448 61.8113 74.7156 319.098 PRESSAVG: 888000 -24.6708 8.48925 -39.7986 8.48937 -28.68 1.65041 -39.7986 1.65039 59.454 GPRESSAVG: 888000 -24.359 4.64614 -40.2978 10.8694 -29.0798 1.84326 -40.0549 3.74321 59.7256 TIMING: 888000 CPU: 2572.43, 0.00289039/step Wall: 2572.43, 0.00289039/step, 3.30147 hours remaining, 207.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 888000 719.3380 2119.6891 1943.7754 128.3424 -206084.1374 17830.7284 0.0000 0.0000 34472.8505 -148869.4135 301.0600 -183342.2641 -148771.9797 299.7024 80.2454 109.9960 557969.9764 2.0344 2.0956 PRESSURE: 888200 147.058 -0.376665 -101.782 -0.376975 -99.8254 68.5446 -101.783 68.5427 -59.1015 GPRESSURE: 888200 206.939 8.13973 -96.5137 -6.6907 -67.8041 59.8252 -104.552 111.949 -53.5246 PRESSAVG: 888200 21.3817 -14.0779 8.03691 -14.0778 -22.0525 -5.3051 8.03695 -5.305 15.4299 GPRESSAVG: 888200 20.4924 -12.1603 8.62917 -16.7201 -21.3524 -4.24225 8.47085 -6.04626 15.1467 TIMING: 888200 CPU: 2573.01, 0.00288981/step Wall: 2573.01, 0.00288981/step, 3.30065 hours remaining, 207.777344 MB of memory in use. ENERGY: 888200 803.3216 2083.7966 1933.3959 111.3549 -206454.8699 18024.4223 0.0000 0.0000 34403.2760 -149095.3026 300.4524 -183498.5786 -148995.6109 299.9835 -3.9562 28.5369 557652.2058 4.9197 4.7622 LDB: ============= START OF LOAD BALANCING ============== 2576.39 LDB: ============== END OF LOAD BALANCING =============== 2576.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2576.4 LDB: ============= START OF LOAD BALANCING ============== 2576.69 LDB: Largest compute 4822 load 0.026021 is 22.0% of average load 0.118017 LDB: Average compute 0.001724 is 1.5% of average load 0.118017 LDB: TIME 2576.69 LOAD: AVG 0.118017 MAX 0.188616 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 2576.69 LOAD: AVG 0.118017 MAX 0.188616 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: TIME 2576.69 LOAD: AVG 0.118017 MAX 0.188616 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2576.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2576.69 PRESSURE: 888400 172.074 -45.4734 -90.1396 -45.4731 -142.452 162.656 -90.139 162.655 -5.5789 GPRESSURE: 888400 123.718 44.5107 -127.306 -70.2102 -97.3247 229.211 -17.0228 137.969 79.6445 PRESSAVG: 888400 16.4903 -58.6146 15.2367 -58.6146 60.068 48.1748 15.2367 48.1748 -60.0673 GPRESSAVG: 888400 16.2514 -57.7681 13.4217 -58.0974 60.6438 46.3643 16.1233 47.101 -59.7885 TIMING: 888400 CPU: 2573.6, 0.002957/step Wall: 2573.6, 0.002957/step, 3.37722 hours remaining, 207.792969 MB of memory in use. ENERGY: 888400 765.9271 2105.1328 1938.8576 117.6559 -206257.8100 17795.7688 0.0000 0.0000 34293.8229 -149240.6449 299.4965 -183534.4678 -149141.5176 300.0744 8.0143 35.3459 556397.8276 5.4970 5.7022 PRESSURE: 888600 -138.077 16.4031 81.304 16.4022 -107.08 -51.2548 81.3053 -51.2543 36.1631 GPRESSURE: 888600 -97.6914 -23.1713 46.562 73.5141 -51.1832 -43.3965 86.1196 -74.1195 31.7448 PRESSAVG: 888600 76.4276 -21.6849 49.8545 -21.6849 -50.5315 13.1308 49.8546 13.1307 -38.389 GPRESSAVG: 888600 75.9914 -22.1427 51.3649 -21.6366 -51.1667 13.6722 47.5052 13.9363 -37.2261 TIMING: 888600 CPU: 2574.18, 0.00290173/step Wall: 2574.18, 0.00290173/step, 3.31394 hours remaining, 207.792969 MB of memory in use. ENERGY: 888600 752.5470 2168.4881 1959.4699 117.0256 -206289.8520 17748.6958 0.0000 0.0000 34479.5901 -149064.0355 301.1188 -183543.6256 -148973.2239 299.7661 -69.6646 -39.0433 557402.8990 -4.1643 -4.1338 PRESSURE: 888800 -100.818 37.2741 97.4628 37.2741 -207.326 72.0952 97.4625 72.0958 46.7325 GPRESSURE: 888800 -65.0104 84.938 95.5609 -12.5597 -225.088 59.2869 150.178 116.865 108.935 PRESSAVG: 888800 -22.1985 3.72308 22.6715 3.72317 4.12855 -25.9893 22.6715 -25.9894 39.1921 GPRESSAVG: 888800 -22.7618 4.64887 22.0543 3.90799 4.23534 -25.782 25.7139 -24.7018 39.1095 TIMING: 888800 CPU: 2574.76, 0.00290333/step Wall: 2574.76, 0.00290333/step, 3.31561 hours remaining, 207.792969 MB of memory in use. ENERGY: 888800 750.3082 2156.9478 1950.0575 101.5740 -205848.6667 17554.7592 0.0000 0.0000 34413.6320 -148921.3881 300.5428 -183335.0200 -148829.1830 300.4717 -87.1374 -60.3875 558329.6680 7.0407 6.8610 PRESSURE: 889000 -50.4653 -106.557 -34.839 -106.557 71.4461 20.5232 -34.838 20.5239 -8.32785 GPRESSURE: 889000 -16.6185 -82.4834 -32.5892 -34.3744 28.3787 61.6312 -65.9123 -31.9391 83.8163 PRESSAVG: 889000 -25.6526 -26.9802 8.79605 -26.9803 1.63939 49.8383 8.79607 49.8383 14.429 GPRESSAVG: 889000 -25.375 -27.7714 8.27682 -27.2155 1.40303 49.0924 6.95001 48.3531 14.0759 TIMING: 889000 CPU: 2575.34, 0.00290062/step Wall: 2575.34, 0.00290062/step, 3.31235 hours remaining, 207.792969 MB of memory in use. ENERGY: 889000 791.9093 2103.2080 1952.2815 112.6734 -206103.2287 17768.6127 0.0000 0.0000 34360.5339 -149014.0098 300.0791 -183374.5437 -148921.6755 299.8324 4.2176 31.8588 557401.8066 -3.1947 -3.2987 PRESSURE: 889200 -212.091 -63.3074 273.56 -63.3071 77.7594 53.1325 273.56 53.1323 -328.067 GPRESSURE: 889200 -149.859 8.75279 263.618 -56.4008 63.6407 35.955 284.354 30.0186 -273.394 PRESSAVG: 889200 28.3466 -87.3139 3.08223 -87.3139 -10.4503 -37.6988 3.08217 -37.6987 -20.5886 GPRESSAVG: 889200 29.0049 -88.1939 3.90497 -87.5338 -9.60658 -37.9041 3.37096 -37.5435 -21.794 TIMING: 889200 CPU: 2575.92, 0.00288456/step Wall: 2575.92, 0.00288456/step, 3.29385 hours remaining, 207.792969 MB of memory in use. ENERGY: 889200 734.0918 2133.3186 1954.8064 123.9245 -205493.3220 17415.3740 0.0000 0.0000 34422.5457 -148709.2610 300.6207 -183131.8067 -148608.2639 300.0401 -154.1328 -119.8710 557758.6517 -0.8974 -0.7986 PRESSURE: 889400 -237.114 -8.82983 66.2665 -8.82962 -367.943 -32.5665 66.2664 -32.5672 -116.382 GPRESSURE: 889400 -213.653 -17.8838 166.716 55.8544 -324.719 -52.3669 53.752 -6.30948 -88.1168 PRESSAVG: 889400 -11.8046 2.46599 15.008 2.46599 1.42663 19.7909 15.008 19.7909 6.44663 GPRESSAVG: 889400 -11.2735 3.11838 15.6626 2.79456 1.66723 21.7362 12.8858 19.4505 6.20803 TIMING: 889400 CPU: 2576.5, 0.00290917/step Wall: 2576.5, 0.00290917/step, 3.32179 hours remaining, 207.828125 MB of memory in use. ENERGY: 889400 746.3107 2085.5701 1952.1134 110.2592 -205397.2121 17363.7819 0.0000 0.0000 34307.6797 -148831.4970 299.6175 -183139.1767 -148728.8153 299.9369 -240.4800 -208.8297 558722.2048 -1.3104 -1.1328 PRESSURE: 889600 -26.1769 97.1682 8.68154 97.167 -63.0251 -39.8779 8.68086 -39.8766 -29.3531 GPRESSURE: 889600 -6.2696 65.9917 -39.3732 82.8294 -16.6024 -10.9689 55.3832 -61.4847 0.841701 PRESSAVG: 889600 -6.47333 -23.4468 15.3301 -23.4468 -38.95 21.3395 15.3301 21.3396 58.4803 GPRESSAVG: 889600 -6.32141 -22.5234 13.8847 -24.0996 -39.5118 22.1849 18.1377 22.0933 59.0422 TIMING: 889600 CPU: 2577.08, 0.00289071/step Wall: 2577.08, 0.00289071/step, 3.30055 hours remaining, 207.828125 MB of memory in use. ENERGY: 889600 782.4847 2126.7644 1973.0074 101.8941 -206063.8043 17706.5900 0.0000 0.0000 34241.6860 -149131.3777 299.0412 -183373.0637 -149032.1201 299.8576 -39.5183 -7.3434 556824.9745 4.3523 4.4030 PRESSURE: 889800 37.1018 34.8473 -1.60573 34.8481 56.9151 -55.7712 -1.605 -55.7724 299.147 GPRESSURE: 889800 98.6297 63.3025 28.6702 40.443 79.5828 -34.5998 -61.3665 -100.996 302.223 PRESSAVG: 889800 24.513 -49.0232 27.5671 -49.0231 -30.4793 -17.2073 27.5672 -17.2073 -23.9859 GPRESSAVG: 889800 23.03 -47.8984 28.206 -49.5638 -29.559 -19.4296 29.3434 -16.2531 -23.7031 TIMING: 889800 CPU: 2577.66, 0.00290942/step Wall: 2577.66, 0.00290942/step, 3.32175 hours remaining, 207.828125 MB of memory in use. ENERGY: 889800 730.1102 2090.9067 1945.1572 101.7629 -206211.2031 17862.2345 0.0000 0.0000 34400.3175 -149080.7140 300.4265 -183481.0315 -148977.6182 299.7001 131.0545 160.1452 556446.3440 -9.9840 -10.0773 PRESSURE: 890000 -13.5206 -11.9522 -32.682 -11.9521 124.318 -130.622 -32.6828 -130.62 -99.6091 GPRESSURE: 890000 -0.178457 0.653107 34.8834 -104.896 154.591 -104.23 -5.26434 -148.476 -54.1633 PRESSAVG: 890000 28.1407 10.5719 10.2317 10.5718 -38.0654 -14.7503 10.2317 -14.7503 -0.376366 GPRESSAVG: 890000 28.0788 8.79894 9.15272 13.0728 -37.6816 -14.0188 6.9537 -16.3684 -0.728332 TIMING: 890000 CPU: 2578.24, 0.00291337/step Wall: 2578.24, 0.00291337/step, 3.3261 hours remaining, 207.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 890000 769.2445 2070.9253 1958.8243 112.0353 -206115.3553 17854.3279 0.0000 0.0000 34285.4486 -149064.5494 299.4233 -183349.9980 -148958.2599 299.1118 3.7293 33.4163 558059.7281 -3.4337 -3.4437 PRESSURE: 890200 101.256 17.4941 186.462 17.4946 -49.2325 -30.157 186.462 -30.1581 -351.308 GPRESSURE: 890200 92.4392 36.0878 64.7561 97.2759 -6.24121 -45.1062 128.867 -72.4565 -295.58 PRESSAVG: 890200 21.9672 19.1187 -94.7437 19.1187 0.0282217 -51.6493 -94.7436 -51.6492 -24.5573 GPRESSAVG: 890200 21.8938 17.7553 -94.0061 18.7973 -1.02199 -51.9919 -94.5785 -51.2987 -23.5611 TIMING: 890200 CPU: 2578.82, 0.00286588/step Wall: 2578.82, 0.00286588/step, 3.27172 hours remaining, 207.828125 MB of memory in use. ENERGY: 890200 783.2898 2116.9624 1939.2285 102.3502 -205884.3773 17659.0105 0.0000 0.0000 34089.1614 -149194.3745 297.7091 -183283.5359 -149098.7866 299.0896 -99.7614 -69.7940 556643.7775 -0.8540 -0.8964 PRESSURE: 890400 -125.896 95.347 25.0433 95.3472 -164.799 -12.0842 25.0432 -12.0853 21.0903 GPRESSURE: 890400 -65.6448 36.0604 -0.953503 273.328 -108.07 31.7807 50.8993 -113.213 -12.016 PRESSAVG: 890400 67.5202 -37.2549 -6.68787 -37.2548 -11.1684 15.6117 -6.68789 15.6117 -36.33 GPRESSAVG: 890400 68.9329 -37.348 -7.30571 -36.5094 -12.0855 14.5434 -5.54762 15.5923 -36.6028 TIMING: 890400 CPU: 2579.39, 0.00288041/step Wall: 2579.39, 0.00288041/step, 3.28815 hours remaining, 207.828125 MB of memory in use. ENERGY: 890400 755.1567 2085.1663 1944.2743 116.8538 -206155.7859 17717.5358 0.0000 0.0000 34315.1881 -149221.6109 299.6831 -183536.7990 -149126.2362 298.8787 -89.8683 -61.9103 557234.3710 6.6739 6.7482 PRESSURE: 890600 -14.5198 85.1319 -90.6633 85.133 65.4641 -82.2199 -90.6654 -82.2172 -214.585 GPRESSURE: 890600 27.3054 33.9159 -105.009 54.9172 66.9033 -83.9892 -24.2031 -44.7725 -158.047 PRESSAVG: 890600 52.0968 41.5538 22.4193 41.5538 -1.89286 32.4992 22.4193 32.4993 -24.4795 GPRESSAVG: 890600 51.8473 40.9944 25.3511 40.8352 -0.888566 33.8512 21.0879 32.5453 -25.1388 TIMING: 890600 CPU: 2579.97, 0.00287262/step Wall: 2579.97, 0.00287262/step, 3.2791 hours remaining, 207.828125 MB of memory in use. ENERGY: 890600 747.6008 2090.1598 1958.8838 111.2719 -206047.7183 17604.0841 0.0000 0.0000 34216.2420 -149319.4759 298.8190 -183535.7179 -149215.3924 298.3992 -54.5470 -21.2793 556083.2060 8.5748 8.6066 PRESSURE: 890800 -13.8281 153.749 99.0583 153.75 -15.3261 75.6437 99.0581 75.6436 89.4068 GPRESSURE: 890800 -22.8106 140.173 59.161 161.023 40.6342 17.1515 15.3696 122.292 147.472 PRESSAVG: 890800 13.4848 -36.5838 45.9866 -36.5839 9.15132 63.9026 45.9866 63.9026 -41.3547 GPRESSAVG: 890800 13.5886 -36.3113 45.2545 -37.9113 9.39514 64.4806 45.185 62.7144 -41.1304 TIMING: 890800 CPU: 2580.54, 0.0028835/step Wall: 2580.54, 0.0028835/step, 3.29135 hours remaining, 207.828125 MB of memory in use. ENERGY: 890800 730.4018 2122.9431 1971.0600 112.6510 -206177.7726 17785.9636 0.0000 0.0000 34066.5570 -149388.1962 297.5117 -183454.7532 -149293.4617 299.0100 20.0842 55.0985 556296.6289 -6.2395 -6.0489 PRESSURE: 891000 300.716 95.8614 74.5203 95.8623 251.114 -125.608 74.5213 -125.607 124.468 GPRESSURE: 891000 367.564 79.1561 21.3351 149.291 288.499 -201.4 102.647 -52.459 107.988 PRESSAVG: 891000 -1.67607 26.41 16.7738 26.4099 29.2781 -45.9098 16.7738 -45.9099 -45.4114 GPRESSAVG: 891000 -2.29111 28.8843 15.7156 27.3891 29.265 -46.6865 18.5127 -43.8176 -45.1217 TIMING: 891000 CPU: 2581.12, 0.00290395/step Wall: 2581.12, 0.00290395/step, 3.31453 hours remaining, 207.828125 MB of memory in use. ENERGY: 891000 738.5669 2079.3825 1945.2365 105.2720 -206616.9297 17977.4209 0.0000 0.0000 34054.3996 -149716.6513 297.4055 -183771.0509 -149611.7778 298.8130 225.4326 254.6836 554945.0312 -5.9364 -6.0493 PRESSURE: 891200 105.497 97.8783 168.787 97.8789 -391.742 -60.2863 168.786 -60.2873 -377.092 GPRESSURE: 891200 164.312 86.9372 197.872 51.6594 -388.016 -29.4045 148.349 -171.929 -348.201 PRESSAVG: 891200 57.1228 -6.9034 91.9959 -6.90331 22.3267 -10.864 91.9959 -10.8639 -24.6334 GPRESSAVG: 891200 57.0241 -8.69209 92.3796 -6.29295 21.9661 -11.1361 91.8508 -10.5078 -24.5142 TIMING: 891200 CPU: 2581.71, 0.00291804/step Wall: 2581.71, 0.00291804/step, 3.33045 hours remaining, 207.828125 MB of memory in use. ENERGY: 891200 726.0889 2133.8874 1955.7063 112.8692 -206164.9226 17433.2732 0.0000 0.0000 34178.0741 -149625.0235 298.4856 -183803.0976 -149528.4578 298.1107 -221.1126 -190.6351 555658.3523 18.2720 18.1587 PRESSURE: 891400 144.198 33.5249 16.0765 33.5256 -54.3292 87.8625 16.0772 87.8621 113.409 GPRESSURE: 891400 178.634 -44.3916 -6.21226 56.5657 13.3676 105.548 77.5736 145.819 113.151 PRESSAVG: 891400 38.222 -24.3854 65.0695 -24.3855 -58.4842 -13.742 65.0694 -13.742 40.5529 GPRESSAVG: 891400 38.4203 -25.3984 65.1553 -24.1515 -58.6143 -12.5843 65.5724 -16.9597 40.3063 TIMING: 891400 CPU: 2582.29, 0.00291423/step Wall: 2582.29, 0.00291423/step, 3.32595 hours remaining, 207.828125 MB of memory in use. ENERGY: 891400 718.9833 2130.4463 1946.5121 107.8266 -206252.7584 17784.5752 0.0000 0.0000 34129.0118 -149435.4032 298.0571 -183564.4150 -149333.2173 298.7251 67.7593 101.7173 555591.7276 6.7635 6.7041 PRESSURE: 891600 -270.842 -11.0061 3.95575 -11.0059 -292.412 -42.2192 3.95671 -42.2178 -439.302 GPRESSURE: 891600 -275.613 -34.636 -87.2737 31.8501 -268.968 40.338 -31.477 -78.8289 -374.988 PRESSAVG: 891600 -68.3113 -9.43488 22.7637 -9.43497 43.6853 18.5581 22.7638 18.5582 -54.1491 GPRESSAVG: 891600 -68.2263 -8.99315 22.6053 -10.0004 42.9217 17.4485 22.7492 21.5735 -54.0441 TIMING: 891600 CPU: 2582.87, 0.00290645/step Wall: 2582.87, 0.00290645/step, 3.3169 hours remaining, 207.828125 MB of memory in use. ENERGY: 891600 760.9311 2076.5649 1935.1249 105.5443 -205692.1147 17234.1826 0.0000 0.0000 34281.0316 -149298.7353 299.3848 -183579.7669 -149203.3343 298.3937 -334.1854 -306.5230 557917.0907 -26.2584 -26.4496 PRESSURE: 891800 -223.971 -2.47261 29.565 -2.47308 279.619 167.855 29.566 167.854 -257.195 GPRESSURE: 891800 -166.086 23.9551 -6.26997 51.559 251.415 166.307 12.0947 169.21 -190.269 PRESSAVG: 891800 -0.554942 -1.55195 12.4753 -1.55193 62.979 2.48509 12.4753 2.48507 -24.4291 GPRESSAVG: 891800 -0.174902 -0.0861686 11.6248 -1.21255 63.2205 2.83401 13.9842 3.68922 -24.6228 TIMING: 891800 CPU: 2583.46, 0.00293143/step Wall: 2583.46, 0.00293143/step, 3.34525 hours remaining, 207.828125 MB of memory in use. ENERGY: 891800 751.6656 2155.8821 1961.8848 116.1644 -206254.2374 17751.9551 0.0000 0.0000 33987.1590 -149529.5266 296.8183 -183516.6856 -149435.8373 298.3994 -67.1823 -34.9800 557433.4324 12.6650 12.8076 PRESSURE: 892000 -19.3912 3.31278 119.573 3.31386 401.371 -7.35633 119.573 -7.3557 98.0367 GPRESSURE: 892000 35.171 12.3073 11.5125 52.8133 427.749 -43.1734 156.395 19.5213 111.319 PRESSAVG: 892000 3.88174 -36.441 -16.7378 -36.441 62.0509 -14.1206 -16.7377 -14.1207 -52.7261 GPRESSAVG: 892000 3.62762 -39.1653 -17.5593 -36.6252 61.3164 -13.5204 -17.6291 -16.3995 -52.1244 TIMING: 892000 CPU: 2584.04, 0.00290001/step Wall: 2584.04, 0.00290001/step, 3.30923 hours remaining, 207.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 892000 742.9448 2066.8926 1949.1910 111.6875 -206326.7620 17741.9344 0.0000 0.0000 34213.5034 -149500.6084 298.7950 -183714.1118 -149406.6023 298.4256 160.0056 191.4132 555868.3617 4.4022 4.2732 PRESSURE: 892200 -88.2972 18.9584 89.7186 18.9593 -167.216 -169.58 89.7176 -169.58 -208.61 GPRESSURE: 892200 -38.5008 -36.4716 124.136 27.4022 -99.8452 -140.684 44.0223 -157.315 -224.778 PRESSAVG: 892200 39.9591 9.31632 36.2836 9.31626 17.176 34.3646 36.2837 34.3645 -65.9431 GPRESSAVG: 892200 39.1756 9.98129 36.5396 9.41977 17.4995 33.9305 36.3815 35.6718 -65.9762 TIMING: 892200 CPU: 2584.62, 0.00290853/step Wall: 2584.62, 0.00290853/step, 3.31879 hours remaining, 207.828125 MB of memory in use. ENERGY: 892200 735.4755 2142.6156 1953.4474 118.8094 -206278.7712 17631.1577 0.0000 0.0000 34398.2643 -149299.0012 300.4086 -183697.2655 -149198.2864 299.0063 -154.7076 -121.0414 559016.7666 -2.9360 -3.1004 LDB: ============= START OF LOAD BALANCING ============== 2588.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2588.01 LDB: =============== DONE WITH MIGRATION ================ 2588.01 LDB: ============= START OF LOAD BALANCING ============== 2588.3 LDB: Largest compute 4820 load 0.027433 is 23.3% of average load 0.117986 LDB: Average compute 0.001720 is 1.5% of average load 0.117986 LDB: TIME 2588.3 LOAD: AVG 0.117986 MAX 0.190019 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 2588.3 LOAD: AVG 0.117986 MAX 0.190019 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.602 MB LDB: TIME 2588.3 LOAD: AVG 0.117986 MAX 0.190019 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2588.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2588.31 PRESSURE: 892400 -164.924 -210.428 -35.2495 -210.428 -92.5435 50.9478 -35.2489 50.947 -113.298 GPRESSURE: 892400 -114.159 -187.761 -49.9518 -200.966 -30.8068 8.01023 -55.3018 59.3461 -122.156 PRESSAVG: 892400 42.8658 13.9018 60.6738 13.9017 -27.6164 38.2327 60.6737 38.2328 7.29687 GPRESSAVG: 892400 42.9282 17.2224 61.2538 10.6282 -27.6039 38.2434 59.1705 35.618 7.11468 TIMING: 892400 CPU: 2585.21, 0.00296282/step Wall: 2585.21, 0.00296282/step, 3.38058 hours remaining, 206.246094 MB of memory in use. ENERGY: 892400 740.6711 2049.2888 1981.2836 115.2887 -206441.1385 17915.7111 0.0000 0.0000 34262.2519 -149376.6431 299.2208 -183638.8950 -149272.8012 298.3230 -123.5883 -89.0406 559297.8435 7.5154 7.4797 PRESSURE: 892600 -50.9405 114.226 155.923 114.226 -92.3662 -112.24 155.922 -112.241 -108.869 GPRESSURE: 892600 -47.6935 84.1341 87.8275 191.756 -23.6535 -144.488 180.042 -43.666 -87.9432 PRESSAVG: 892600 98.6565 -7.49496 25.1504 -7.49495 -54.9539 28.5417 25.1505 28.5418 -58.0237 GPRESSAVG: 892600 99.325 -12.6623 24.6879 -3.55527 -55.8802 28.9702 25.0778 29.1633 -57.4261 TIMING: 892600 CPU: 2585.79, 0.00290498/step Wall: 2585.79, 0.00290498/step, 3.31442 hours remaining, 206.246094 MB of memory in use. ENERGY: 892600 767.2552 2150.7688 1938.4143 115.2855 -206243.7587 17710.5015 0.0000 0.0000 34261.7625 -149299.7709 299.2165 -183561.5334 -149206.5104 299.0418 -84.0586 -53.0967 558213.4497 -4.7737 -4.6604 PRESSURE: 892800 -151.888 48.7745 -15.1387 48.7745 -146.694 -125.157 -15.1395 -125.157 -151.855 GPRESSURE: 892800 -163.962 28.5636 -21.1284 61.5459 -43.9944 -122.85 -16.7897 -36.8987 -146.997 PRESSAVG: 892800 46.6901 -44.5983 44.159 -44.5983 17.6522 -19.241 44.159 -19.2411 -34.9928 GPRESSAVG: 892800 46.1212 -41.3342 44.3643 -46.0388 18.925 -19.4311 44.7468 -20.064 -36.0897 TIMING: 892800 CPU: 2586.38, 0.00291899/step Wall: 2586.38, 0.00291899/step, 3.33024 hours remaining, 206.246094 MB of memory in use. ENERGY: 892800 731.9398 2043.1975 1945.5920 121.0216 -206042.1873 17573.7475 0.0000 0.0000 34344.1261 -149282.5628 299.9358 -183626.6889 -149180.3916 299.4670 -150.1458 -118.3178 558808.0800 9.7832 9.6522 PRESSURE: 893000 -170.494 97.1174 15.4021 97.1156 -173.87 138.928 15.4015 138.927 -34.5394 GPRESSURE: 893000 -133.447 121.475 6.20882 13.718 -170.173 124.968 106.18 123.613 21.9418 PRESSAVG: 893000 21.6566 -23.5465 18.7646 -23.5465 10.635 48.9407 18.7646 48.9408 -53.3005 GPRESSAVG: 893000 21.8886 -24.9501 18.7278 -23.3156 10.4871 49.0443 18.4638 50.8703 -53.4765 TIMING: 893000 CPU: 2586.96, 0.00291525/step Wall: 2586.96, 0.00291525/step, 3.32582 hours remaining, 206.246094 MB of memory in use. ENERGY: 893000 742.7419 2164.3473 1957.5158 105.6490 -206144.1622 17713.9229 0.0000 0.0000 34100.5376 -149359.4477 297.8085 -183459.9853 -149267.3898 299.0126 -126.3012 -93.8927 557244.0657 -7.0030 -7.0336 PRESSURE: 893200 -28.3029 93.5261 -5.0217 93.5277 172.943 87.6741 -5.02175 87.6752 -254.396 GPRESSURE: 893200 -11.3205 106.842 97.7244 81.4113 179.57 88.3652 -81.806 49.062 -199.978 PRESSAVG: 893200 51.828 17.969 22.2016 17.969 1.2085 35.749 22.2015 35.7489 -48.1822 GPRESSAVG: 893200 52.1187 19.7647 23.6893 17.0052 1.00456 35.9999 22.6988 35.0604 -48.307 TIMING: 893200 CPU: 2587.54, 0.00290872/step Wall: 2587.54, 0.00290872/step, 3.3182 hours remaining, 206.246094 MB of memory in use. ENERGY: 893200 713.1577 2133.5252 1937.7730 106.2525 -206158.1832 17709.3127 0.0000 0.0000 34325.9418 -149232.2203 299.7770 -183558.1621 -149133.3819 299.8439 -36.5853 -10.5759 555968.7023 1.6181 1.6054 PRESSURE: 893400 153.452 49.187 67.9562 49.1885 -3.74619 72.9124 67.9563 72.9122 69.1834 GPRESSURE: 893400 169.12 101.854 123.621 38.2421 18.7644 63.567 48.7707 76.5203 122.11 PRESSAVG: 893400 45.9751 20.1486 3.44023 20.1487 10.7969 29.4401 3.44027 29.4401 -33.5584 GPRESSAVG: 893400 46.5169 18.4573 4.62922 21.4951 10.2243 28.0745 2.56548 30.0543 -33.3255 TIMING: 893400 CPU: 2588.12, 0.00290859/step Wall: 2588.12, 0.00290859/step, 3.31789 hours remaining, 206.246094 MB of memory in use. ENERGY: 893400 760.3877 2125.1654 1964.9643 128.1947 -206350.4896 17695.5857 0.0000 0.0000 34314.2327 -149361.9591 299.6747 -183676.1918 -149263.5629 299.8015 72.9629 103.3316 556290.8797 7.7379 7.8052 PRESSURE: 893600 74.0556 48.7902 -31.9186 48.7904 -146.375 156.593 -31.9191 156.593 -269.843 GPRESSURE: 893600 77.3619 41.544 151.71 54.9631 -120.686 231.752 -45.3151 -0.90606 -201.503 PRESSAVG: 893600 82.5453 46.2699 -53.5075 46.27 -45.3406 0.927432 -53.5075 0.927519 0.774406 GPRESSAVG: 893600 82.8441 46.3242 -55.3145 45.0067 -44.5864 1.22097 -51.4278 1.77288 -0.176248 TIMING: 893600 CPU: 2588.7, 0.00290239/step Wall: 2588.7, 0.00290239/step, 3.31066 hours remaining, 206.246094 MB of memory in use. ENERGY: 893600 757.6555 2088.5914 1967.1987 106.0339 -206011.6313 17662.1122 0.0000 0.0000 34348.8370 -149081.2027 299.9769 -183430.0397 -148977.8307 299.4095 -114.0541 -81.6089 556950.3514 12.6597 12.6938 PRESSURE: 893800 -138.202 9.35035 -2.4263 9.35171 -159.262 -36.0648 -2.427 -36.0653 -112.531 GPRESSURE: 893800 -147.338 -63.7658 5.55521 72.3871 -136.708 -159.799 43.4542 -53.9815 -28.1914 PRESSAVG: 893800 26.6248 -30.2529 32.8743 -30.2529 -49.9942 -0.387317 32.8743 -0.387442 -30.9821 GPRESSAVG: 893800 26.0661 -28.6392 32.6492 -32.1567 -50.982 -0.436354 32.1232 0.195408 -28.8971 TIMING: 893800 CPU: 2589.29, 0.00291045/step Wall: 2589.29, 0.00291045/step, 3.31969 hours remaining, 206.246094 MB of memory in use. ENERGY: 893800 753.0688 2139.0175 1946.1035 111.4483 -205877.7182 17592.9595 0.0000 0.0000 34267.3545 -149067.7660 299.2653 -183335.1205 -148964.2172 299.6011 -136.6649 -104.0790 557144.4915 -18.1172 -17.9377 PRESSURE: 894000 -104.322 159.056 -69.0048 159.056 -46.6591 138.481 -69.0039 138.483 -113.758 GPRESSURE: 894000 -45.846 190.951 54.0648 137.065 -17.8384 155.079 -102.201 156.327 -89.1843 PRESSAVG: 894000 -7.90102 -17.6435 -6.73662 -17.6435 -55.1889 36.4401 -6.73663 36.44 68.1922 GPRESSAVG: 894000 -8.80455 -17.7381 -5.51525 -15.4653 -55.2625 35.9164 -8.47696 36.1503 68.6887 TIMING: 894000 CPU: 2589.87, 0.00290465/step Wall: 2589.87, 0.00290465/step, 3.31292 hours remaining, 206.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 894000 746.7978 2129.4977 1942.4167 108.1199 -205946.9656 17756.1938 0.0000 0.0000 34198.5788 -149065.3609 298.6647 -183263.9398 -148975.4392 300.3180 -88.2463 -50.9562 556712.7021 1.7008 1.5405 PRESSURE: 894200 94.848 27.251 -28.8407 27.2508 -72.9537 125.902 -28.8402 125.899 199.438 GPRESSURE: 894200 131.733 65.4202 38.5643 69.9552 -12.0211 30.2634 21.4155 145.091 204.846 PRESSAVG: 894200 -12.6333 -17.1678 -38.0143 -17.1678 -17.396 17.0223 -38.0142 17.0224 11.0874 GPRESSAVG: 894200 -11.9324 -16.4185 -38.3432 -18.6656 -16.7008 16.1818 -37.5177 14.0018 9.33311 TIMING: 894200 CPU: 2590.44, 0.00288846/step Wall: 2590.44, 0.00288846/step, 3.29429 hours remaining, 206.246094 MB of memory in use. ENERGY: 894200 756.9404 2135.3068 1928.1635 115.8803 -206279.9408 17990.7343 0.0000 0.0000 34410.3853 -148942.5302 300.5145 -183352.9155 -148855.2277 300.1026 73.7776 108.1861 558254.7055 -6.3140 -6.4334 PRESSURE: 894400 -37.1242 161.751 -75.7946 161.75 -260.969 -37.1274 -75.7959 -37.1252 -237.174 GPRESSURE: 894400 -44.2738 101.415 -30.4563 187.731 -213.803 -6.67896 -45.8941 -11.4818 -177.537 PRESSAVG: 894400 22.3633 33.4735 -19.3107 33.4735 37.2261 15.7498 -19.3108 15.7498 -56.646 GPRESSAVG: 894400 21.5057 31.4193 -17.0319 36.4602 36.2144 17.5592 -18.6253 18.3614 -54.6234 TIMING: 894400 CPU: 2591.02, 0.0028839/step Wall: 2591.02, 0.0028839/step, 3.28893 hours remaining, 206.246094 MB of memory in use. ENERGY: 894400 780.7142 2111.2388 1947.4977 118.7833 -206041.0963 17634.8025 0.0000 0.0000 34501.7127 -148946.3472 301.3120 -183448.0599 -148843.5638 299.8181 -178.4226 -145.2047 559792.1251 0.9811 1.0322 PRESSURE: 894600 -126.105 -14.4692 -86.172 -14.4676 -321.149 6.40947 -86.1721 6.40816 -124.054 GPRESSURE: 894600 -96.6256 -38.2479 -62.8852 1.7406 -217.738 -16.5066 -94.4431 -87.4852 -158.059 PRESSAVG: 894600 -9.55467 19.754 30.2275 19.7541 -22.059 44.6229 30.2274 44.623 6.5613 GPRESSAVG: 894600 -8.50126 19.8113 28.2658 18.0643 -20.4228 46.9187 30.9595 42.7722 3.61317 TIMING: 894600 CPU: 2591.6, 0.0029182/step Wall: 2591.6, 0.0029182/step, 3.32789 hours remaining, 206.246094 MB of memory in use. ENERGY: 894600 723.8135 2117.4430 1935.1309 107.0730 -206252.7517 17838.3809 0.0000 0.0000 34522.8505 -149008.0598 301.4966 -183530.9103 -148907.0485 299.9075 -190.4357 -157.4743 560111.5464 -8.3508 -8.4370 PRESSURE: 894800 36.0988 -104.141 114.166 -104.141 -84.1805 34.5887 114.166 34.5901 -122.414 GPRESSURE: 894800 100.478 -155.297 62.7305 -93.8158 -56.2839 -52.3515 133.49 -44.7432 -121.911 PRESSAVG: 894800 49.8305 -12.1651 12.3421 -12.165 19.774 -9.83 12.3421 -9.83001 -33.467 GPRESSAVG: 894800 49.5132 -12.2712 12.1727 -11.499 18.2202 -15.2004 11.9068 -7.29877 -31.8324 TIMING: 894800 CPU: 2592.18, 0.00288312/step Wall: 2592.18, 0.00288312/step, 3.28772 hours remaining, 206.246094 MB of memory in use. ENERGY: 894800 756.8021 2051.1190 1966.6277 130.7707 -206389.7110 18008.7952 0.0000 0.0000 34379.6944 -149095.9019 300.2464 -183475.5964 -148996.3655 299.2766 -56.8318 -25.9055 558764.3823 12.0458 11.9670 PRESSURE: 895000 96.66 22.387 -22.3385 22.3867 301.808 -126.997 -22.3394 -126.996 321.754 GPRESSURE: 895000 148.512 -3.06756 72.2844 -24.4141 327.295 -186.905 -67.9134 -67.6056 340.241 PRESSAVG: 895000 44.0254 -34.6467 -15.7723 -34.6466 -31.5534 13.9214 -15.7723 13.9215 -44.9389 GPRESSAVG: 895000 43.6004 -34.7003 -15.7917 -33.8942 -31.548 15.2351 -16.5471 14.1738 -44.2804 TIMING: 895000 CPU: 2592.76, 0.00288623/step Wall: 2592.76, 0.00288623/step, 3.29111 hours remaining, 206.246094 MB of memory in use. ENERGY: 895000 716.5381 2080.2017 1937.7339 115.2680 -206477.1053 18183.1234 0.0000 0.0000 34255.0703 -149189.1698 299.1580 -183444.2401 -149093.6953 299.6179 240.0739 272.0162 556524.3837 -10.8223 -10.7427 PRESSURE: 895200 -152.523 170.651 100.17 170.652 227.01 -76.6829 100.17 -76.6813 206.519 GPRESSURE: 895200 -127.583 137.352 113.965 236.706 261.304 -81.2098 129.416 -90.4564 240.889 PRESSAVG: 895200 16.0359 -24.3299 24.9355 -24.3299 -43.079 -10.5881 24.9355 -10.588 52.5075 GPRESSAVG: 895200 15.1348 -23.6473 25.4245 -28.2452 -42.7971 -10.1695 24.3172 -10.2265 53.1082 TIMING: 895200 CPU: 2593.33, 0.00287859/step Wall: 2593.33, 0.00287859/step, 3.28223 hours remaining, 206.246094 MB of memory in use. ENERGY: 895200 756.5046 2130.3746 1932.7767 113.0316 -206305.0264 17916.0265 0.0000 0.0000 34342.8028 -149113.5096 299.9242 -183456.3124 -149011.3271 299.0746 93.6688 124.8700 556896.6394 8.4881 8.4820 PRESSURE: 895400 -158.229 -229.147 -27.3134 -229.147 -28.1248 111.548 -27.3135 111.547 -327.533 GPRESSURE: 895400 -159.308 -334.645 -75.3122 -178.249 -17.5447 -6.11679 -76.9445 244.22 -253.74 PRESSAVG: 895400 12.5893 16.4068 44.1698 16.4068 -54.1388 2.02511 44.1698 2.02501 63.6225 GPRESSAVG: 895400 12.8077 16.9584 42.7884 18.636 -54.2638 4.40078 44.6058 -0.0191202 62.8385 TIMING: 895400 CPU: 2593.91, 0.00288245/step Wall: 2593.91, 0.00288245/step, 3.28648 hours remaining, 206.246094 MB of memory in use. ENERGY: 895400 758.8646 2083.1259 1951.5953 120.8738 -205752.0391 17570.3456 0.0000 0.0000 34299.9720 -148967.2619 299.5502 -183267.2339 -148877.5341 299.5621 -171.2957 -143.5310 557660.0541 7.3577 7.1275 PRESSURE: 895600 34.9503 -128.081 47.116 -128.08 -81.1203 -127.801 47.1165 -127.799 259.798 GPRESSURE: 895600 98.1918 -118.416 12.3997 -21.8108 -52.9933 -114.121 21.584 -78.1133 248.258 PRESSAVG: 895600 -19.3777 -9.21929 36.4277 -9.21936 49.2934 36.3788 36.4277 36.3787 -40.5111 GPRESSAVG: 895600 -18.618 -9.54539 37.7264 -7.77121 48.7198 35.2817 36.7369 36.2878 -40.9778 TIMING: 895600 CPU: 2594.49, 0.00288647/step Wall: 2594.49, 0.00288647/step, 3.2909 hours remaining, 206.246094 MB of memory in use. ENERGY: 895600 758.7061 2087.5854 1947.4764 124.2709 -206245.6752 17929.8530 0.0000 0.0000 34453.7313 -148944.0521 300.8930 -183397.7835 -148851.8180 299.7660 71.2093 97.8189 557099.2097 -3.5318 -3.6253 PRESSURE: 895800 -177.543 -55.6862 -81.0417 -55.6857 -207.023 -81.1935 -81.0427 -81.1933 -83.578 GPRESSURE: 895800 -154.868 -10.786 -111.265 -109.646 -133.422 18.456 -19.3139 -39.7181 -82.2934 PRESSAVG: 895800 10.9395 -20.9219 6.69785 -20.9219 13.9301 2.64839 6.69777 2.64833 10.6657 GPRESSAVG: 895800 11.0973 -20.0412 5.07788 -23.3318 13.0096 2.71924 6.15662 2.92526 11.4102 TIMING: 895800 CPU: 2595.06, 0.00287902/step Wall: 2595.06, 0.00287902/step, 3.28224 hours remaining, 206.246094 MB of memory in use. ENERGY: 895800 745.4545 2062.4268 1953.9659 107.9158 -205876.3398 17699.3085 0.0000 0.0000 34356.4681 -148950.8001 300.0436 -183307.2682 -148853.4086 300.1612 -156.0483 -123.5277 559427.1278 11.8451 11.8390 PRESSURE: 896000 -27.565 -39.6176 -10.0781 -39.6176 -13.1123 256.97 -10.0786 256.969 -60.0279 GPRESSURE: 896000 -17.5339 -22.8786 95.9089 -75.3167 67.6991 227.309 2.95713 219.73 -53.9412 PRESSAVG: 896000 -34.0064 -20.6886 28.2933 -20.6887 40.4316 -29.86 28.2933 -29.86 -11.5396 GPRESSAVG: 896000 -33.9419 -20.8615 29.4018 -20.1957 40.5299 -29.7441 28.3411 -28.1274 -11.8464 TIMING: 896000 CPU: 2595.64, 0.00286908/step Wall: 2595.64, 0.00286908/step, 3.27075 hours remaining, 206.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 896000 707.7115 2117.5623 1967.4911 111.4929 -206073.9193 17792.5178 0.0000 0.0000 34212.9645 -149164.1792 298.7903 -183377.1437 -149073.4781 299.6750 -33.5684 -1.2587 559469.3689 -1.7048 -1.7528 PRESSURE: 896200 -160.141 162.924 197.74 162.923 -506.755 -22.6786 197.741 -22.6791 -195.707 GPRESSURE: 896200 -158.421 178.033 168.353 65.5243 -444.882 40.4885 245.598 -13.56 -144.505 PRESSAVG: 896200 -58.18 22.0641 47.3945 22.0641 -30.4254 11.1578 47.3945 11.1578 54.181 GPRESSAVG: 896200 -59.6532 20.7922 47.0604 22.3277 -29.7676 11.2259 49.3974 10.6433 55.2618 TIMING: 896200 CPU: 2596.21, 0.00287738/step Wall: 2596.21, 0.00287738/step, 3.28005 hours remaining, 206.246094 MB of memory in use. ENERGY: 896200 760.9648 2094.5797 1959.6373 111.7832 -205705.7865 17377.9712 0.0000 0.0000 34211.1942 -149189.6559 298.7749 -183400.8501 -149095.2484 299.4187 -287.5343 -249.2695 559348.7535 -11.4748 -11.3863 LDB: ============= START OF LOAD BALANCING ============== 2599.6 LDB: ============== END OF LOAD BALANCING =============== 2599.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2599.6 LDB: ============= START OF LOAD BALANCING ============== 2599.89 LDB: Largest compute 4822 load 0.026751 is 22.7% of average load 0.117994 LDB: Average compute 0.001722 is 1.5% of average load 0.117994 LDB: TIME 2599.9 LOAD: AVG 0.117994 MAX 0.186852 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.527 MB LDB: TIME 2599.9 LOAD: AVG 0.117994 MAX 0.186852 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.527 MB LDB: TIME 2599.9 LOAD: AVG 0.117994 MAX 0.186852 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.527 MB LDB: ============== END OF LOAD BALANCING =============== 2599.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2599.9 PRESSURE: 896400 -72.4634 54.229 -265.703 54.2287 106.198 -49.5091 -265.702 -49.5116 94.6873 GPRESSURE: 896400 -40.714 81.6882 -269.962 77.399 175.671 4.90979 -161.361 -87.6796 83.4629 PRESSAVG: 896400 24.0803 -11.0378 -14.2758 -11.0379 -39.2023 3.79143 -14.2757 3.79132 24.5801 GPRESSAVG: 896400 25.1994 -10.4316 -14.753 -10.9342 -38.6145 2.65866 -15.3951 4.74554 23.0077 TIMING: 896400 CPU: 2596.81, 0.00297582/step Wall: 2596.81, 0.00297582/step, 3.39211 hours remaining, 207.125000 MB of memory in use. ENERGY: 896400 694.2781 2126.2416 1960.3728 123.2767 -206082.9396 17859.9403 0.0000 0.0000 34392.7531 -148926.0770 300.3605 -183318.8301 -148825.8883 299.5760 42.8074 72.8067 558225.0078 3.1527 3.1975 PRESSURE: 896600 55.2862 38.6104 22.8389 38.6092 -96.5694 163.677 22.8384 163.677 84.6321 GPRESSURE: 896600 103.798 37.5817 6.8573 -13.9974 -81.0044 129.116 -43.3875 174.878 119.024 PRESSAVG: 896600 -67.0529 29.3193 -40.4355 29.3194 0.740617 -13.5896 -40.4356 -13.5897 88.142 GPRESSAVG: 896600 -68.0673 28.9497 -40.2063 27.7348 0.334049 -11.9817 -42.1192 -15.2107 89.2366 TIMING: 896600 CPU: 2597.39, 0.00292602/step Wall: 2597.39, 0.00292602/step, 3.33518 hours remaining, 207.125000 MB of memory in use. ENERGY: 896600 746.9280 2087.8846 1933.3324 102.4935 -206162.8647 17911.6277 0.0000 0.0000 34277.6960 -149102.9026 299.3556 -183380.5986 -149005.4578 299.1654 14.4496 47.2725 558337.1205 7.2766 7.1678 PRESSURE: 896800 -322.369 -237.657 -145.635 -237.658 86.6888 37.5913 -145.635 37.5906 156.681 GPRESSURE: 896800 -302.857 -236.132 -174.621 -243.993 127.065 1.07453 -80.5711 117.372 191.684 PRESSAVG: 896800 -11.5604 -45.5672 -14.8211 -45.5672 16.1584 7.07273 -14.8211 7.07273 1.93543 GPRESSAVG: 896800 -10.2193 -46.226 -13.7422 -42.8245 15.5486 6.89257 -13.6776 7.39605 1.29186 TIMING: 896800 CPU: 2597.97, 0.0029033/step Wall: 2597.97, 0.0029033/step, 3.30912 hours remaining, 207.125000 MB of memory in use. ENERGY: 896800 693.4929 2087.4098 1960.5507 115.8939 -205952.6074 17811.2759 0.0000 0.0000 34302.6087 -148981.3755 299.5732 -183283.9842 -148888.6751 300.0635 -26.3331 5.2974 558732.4250 2.1778 2.2070 PRESSURE: 897000 -160.92 -71.6678 -155.36 -71.6678 -90.3801 107.403 -155.36 107.402 30.8112 GPRESSURE: 897000 -155.818 -153.999 -157.678 -0.759794 -57.3702 49.6949 -128.787 212.263 78.2484 PRESSAVG: 897000 12.6874 -51.0531 -35.1951 -51.053 -9.56377 23.5726 -35.1951 23.5725 23.4649 GPRESSAVG: 897000 11.8563 -52.1822 -35.4264 -49.1709 -9.47461 23.1216 -35.1376 23.576 23.8872 TIMING: 897000 CPU: 2598.55, 0.00288192/step Wall: 2598.55, 0.00288192/step, 3.28459 hours remaining, 207.125000 MB of memory in use. ENERGY: 897000 749.0840 2047.4481 1964.9213 105.9370 -206238.1827 17713.6203 0.0000 0.0000 34464.4397 -149192.7323 300.9865 -183657.1720 -149090.6852 299.4886 -73.4962 -44.9800 557009.1011 8.8629 8.7563 PRESSURE: 897200 -46.7974 8.33442 25.012 8.3342 -242.868 -71.3558 25.0119 -71.3542 94.66 GPRESSURE: 897200 -10.9945 11.1319 1.42424 -24.1758 -240.96 -51.3495 23.7644 -66.1711 151.786 PRESSAVG: 897200 -21.4887 4.84159 -23.3602 4.84152 -21.3563 43.2166 -23.3602 43.2166 47.0043 GPRESSAVG: 897200 -21.0313 5.65838 -24.5493 2.78918 -21.4757 41.5918 -23.0251 43.8669 47.305 TIMING: 897200 CPU: 2599.13, 0.00288749/step Wall: 2599.13, 0.00288749/step, 3.29078 hours remaining, 207.125000 MB of memory in use. ENERGY: 897200 799.9437 2063.9190 1929.5092 128.7106 -206313.7652 17854.7801 0.0000 0.0000 34403.8742 -149133.0283 300.4576 -183536.9026 -149037.5511 299.7417 -65.0018 -33.3896 557434.4793 1.3864 1.5993 PRESSURE: 897400 -368.354 98.1626 60.8159 98.162 -187.622 35.6834 60.8152 35.6818 -227.921 GPRESSURE: 897400 -339.161 71.0951 54.844 95.1125 -115.496 36.1749 8.93854 78.3216 -221.396 PRESSAVG: 897400 29.4217 -2.07799 9.71193 -2.07796 1.0959 -6.92387 9.712 -6.92378 -37.5285 GPRESSAVG: 897400 28.4787 -2.6014 9.86421 -1.57116 2.13001 -5.42109 11.4619 -7.88874 -37.1978 TIMING: 897400 CPU: 2599.71, 0.00289828/step Wall: 2599.71, 0.00289828/step, 3.30291 hours remaining, 207.125000 MB of memory in use. ENERGY: 897400 702.4175 2140.5585 1943.7877 120.3351 -205802.3527 17376.8610 0.0000 0.0000 34324.9140 -149193.4790 299.7680 -183518.3930 -149104.8333 299.4979 -261.2987 -225.3511 558420.5923 -2.3370 -2.1964 PRESSURE: 897600 -113.86 31.7274 36.2575 31.7282 -96.4146 11.0712 36.2596 11.0699 -49.735 GPRESSURE: 897600 -99.8463 56.6469 30.2614 0.246553 -112.033 131.695 95.5948 -26.5434 44.5792 PRESSAVG: 897600 -12.3549 21.6242 7.88755 21.6242 -27.1649 0.973281 7.88757 0.973292 6.13814 GPRESSAVG: 897600 -11.656 21.8058 9.91268 20.8063 -26.4651 0.941658 6.36113 1.12703 4.69417 TIMING: 897600 CPU: 2600.28, 0.00288188/step Wall: 2600.28, 0.00288188/step, 3.28406 hours remaining, 207.125000 MB of memory in use. ENERGY: 897600 717.6988 2085.5211 1949.9445 119.4963 -206070.6179 17687.9364 0.0000 0.0000 34241.2892 -149268.7316 299.0377 -183510.0208 -149173.8857 299.1356 -86.6700 -55.7668 556563.2927 -11.1272 -11.1423 PRESSURE: 897800 -182.688 -71.4721 -90.3848 -71.4722 -118.007 107.322 -90.3839 107.324 -243.758 GPRESSURE: 897800 -179.696 -110.628 -110.16 -99.8787 -52.198 81.4829 -191.129 38.4566 -213.884 PRESSAVG: 897800 16.3106 -29.8895 -53.2544 -29.8894 14.3916 12.4856 -53.2544 12.4858 18.7799 GPRESSAVG: 897800 14.8553 -29.044 -57.269 -31.8288 15.0005 10.9206 -52.3511 11.848 19.3024 TIMING: 897800 CPU: 2600.86, 0.00288464/step Wall: 2600.86, 0.00288464/step, 3.28704 hours remaining, 207.125000 MB of memory in use. ENERGY: 897800 743.0627 2116.6375 1955.7926 103.7255 -206300.0225 17771.6120 0.0000 0.0000 34174.2728 -149434.9195 298.4524 -183609.1922 -149336.6949 299.2494 -181.4843 -148.5928 557422.2695 16.4941 16.3860 PRESSURE: 898000 73.1417 -178.409 -7.53974 -178.409 116.415 -74.1327 -7.54004 -74.1332 -17.4678 GPRESSURE: 898000 165.39 -169.719 -57.2588 -169.823 85.1655 -88.3142 63.474 -56.269 19.8671 PRESSAVG: 898000 12.8062 -11.3284 -12.6697 -11.3284 -52.0944 -35.637 -12.6696 -35.6369 -2.68822 GPRESSAVG: 898000 13.316 -11.4758 -11.4145 -12.1003 -52.3724 -35.6002 -12.2941 -35.0252 -2.87524 TIMING: 898000 CPU: 2601.44, 0.00290038/step Wall: 2601.44, 0.00290038/step, 3.30483 hours remaining, 207.125000 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: 898000 754.1766 2032.1887 1934.2697 114.9211 -206977.4995 18105.7455 0.0000 0.0000 34485.7508 -149550.4471 301.1726 -184036.1979 -149452.9200 298.6112 57.3629 90.1408 557113.1830 -13.9921 -13.9772 PRESSURE: 898200 40.4944 -48.6051 -16.5479 -48.605 -191.211 75.0997 -16.5473 75.0987 -86.9762 GPRESSURE: 898200 82.0652 -46.7496 -19.1715 31.0904 -137.88 34.8678 -6.32786 97.6772 -87.4281 PRESSAVG: 898200 44.8651 -41.4959 18.2348 -41.4959 -73.7091 -15.4806 18.2349 -15.4807 18.6485 GPRESSAVG: 898200 45.1195 -43.5455 18.724 -39.5065 -75.0322 -16.3371 16.8368 -13.989 19.8876 TIMING: 898200 CPU: 2602.02, 0.00288113/step Wall: 2602.02, 0.00288113/step, 3.28273 hours remaining, 207.125000 MB of memory in use. ENERGY: 898200 753.6941 2125.2355 1974.6653 123.4535 -206460.1132 17891.6915 0.0000 0.0000 34278.0528 -149313.3204 299.3588 -183591.3732 -149219.8628 298.8535 -79.2308 -47.7475 557632.6095 -3.3985 -3.3417 PRESSURE: 898400 45.3515 31.2018 0.585258 31.2013 -66.1531 -11.7664 0.583844 -11.7658 -178.26 GPRESSURE: 898400 101.91 -74.2044 72.8803 103.55 -68.7777 73.3303 -29.1112 21.3849 -138.276 PRESSAVG: 898400 11.7144 -22.6984 7.74652 -22.6983 3.09626 -31.5589 7.74656 -31.559 12.1231 GPRESSAVG: 898400 10.8055 -21.1835 7.45754 -23.4898 3.5963 -31.1619 7.59952 -32.6378 12.5327 TIMING: 898400 CPU: 2602.59, 0.00286324/step Wall: 2602.59, 0.00286324/step, 3.26218 hours remaining, 207.125000 MB of memory in use. ENERGY: 898400 741.6836 2057.8107 1978.5592 112.7019 -206259.8315 17857.8635 0.0000 0.0000 34181.9842 -149329.2283 298.5198 -183511.2125 -149225.8659 299.1067 -66.3539 -35.0478 556974.6612 8.9779 8.9782 PRESSURE: 898600 160.507 18.1954 30.5891 18.1955 -51.1681 20.8134 30.5887 20.8134 -22.0357 GPRESSURE: 898600 162.006 54.0908 -0.382278 -44.9105 -27.1143 84.9336 62.1013 42.5431 54.0103 PRESSAVG: 898600 28.2675 12.6692 -38.7321 12.6692 -26.4035 46.3523 -38.7321 46.3523 1.25215 GPRESSAVG: 898600 28.4751 11.9642 -38.5114 12.8174 -26.9244 48.5579 -37.9371 43.6236 1.30432 TIMING: 898600 CPU: 2603.17, 0.00290285/step Wall: 2603.17, 0.00290285/step, 3.30715 hours remaining, 207.328125 MB of memory in use. ENERGY: 898600 711.5648 2099.6087 1942.3271 111.8164 -206454.2218 17751.3921 0.0000 0.0000 34266.0513 -149571.4615 299.2539 -183837.5128 -149472.4413 299.1411 29.1010 62.9672 556108.6922 1.0387 0.9517 PRESSURE: 898800 34.619 -176.592 -27.0557 -176.59 51.1848 126.915 -27.0558 126.915 157.795 GPRESSURE: 898800 88.6211 -223.013 -53.2121 -79.5272 56.5265 108.024 -17.1651 111.186 208.165 PRESSAVG: 898800 17.0382 -9.62866 29.9487 -9.62858 -1.23732 36.2901 29.9487 36.2901 -28.4389 GPRESSAVG: 898800 17.6264 -9.72059 30.4548 -9.04337 -0.927809 34.6319 27.8885 38.4335 -29.6202 TIMING: 898800 CPU: 2603.75, 0.00289014/step Wall: 2603.75, 0.00289014/step, 3.29251 hours remaining, 207.328125 MB of memory in use. ENERGY: 898800 724.8778 2101.3839 1908.0610 109.7562 -206507.4146 17921.0326 0.0000 0.0000 34118.5370 -149623.7660 297.9657 -183742.3030 -149523.3188 298.4211 81.1997 117.7709 556500.5266 -4.2127 -4.3072 PRESSURE: 899000 -73.3162 115.209 -128.627 115.209 -189.572 204.536 -128.628 204.535 -45.0774 GPRESSURE: 899000 -67.1026 109.069 -41.5054 98.068 -137.448 115.947 -139.591 216.735 1.77118 PRESSAVG: 899000 36.4724 14.8276 -6.01867 14.8275 -6.68621 7.87117 -6.01869 7.87116 8.45443 GPRESSAVG: 899000 37.5266 16.9544 -6.36307 13.0537 -8.38214 8.16795 -2.57242 8.31346 8.84087 TIMING: 899000 CPU: 2604.32, 0.00286622/step Wall: 2604.32, 0.00286622/step, 3.2651 hours remaining, 207.328125 MB of memory in use. ENERGY: 899000 701.4700 2073.1310 1968.9497 107.6144 -206176.1637 17531.5919 0.0000 0.0000 34203.8460 -149589.5607 298.7107 -183793.4067 -149493.2889 298.7195 -102.6553 -67.5932 556656.2181 12.7469 12.6618 PRESSURE: 899200 -17.8111 -12.0167 113.894 -12.0167 -71.7716 76.8781 113.894 76.8768 -37.2799 GPRESSURE: 899200 54.455 -64.0254 110.56 -46.5518 -93.5794 -7.9917 76.6188 81.2582 10.7306 PRESSAVG: 899200 52.2937 1.45457 14.1751 1.45442 -57.061 41.7648 14.1751 41.7647 -64.6875 GPRESSAVG: 899200 50.3788 -1.07353 15.0253 3.66864 -55.4504 40.8546 11.6413 41.4389 -64.8968 TIMING: 899200 CPU: 2604.9, 0.00289013/step Wall: 2604.9, 0.00289013/step, 3.29217 hours remaining, 207.328125 MB of memory in use. ENERGY: 899200 731.8628 2108.8399 1941.2596 115.2591 -206634.9385 17893.3510 0.0000 0.0000 34286.3113 -149558.0547 299.4309 -183844.3660 -149460.0020 297.6518 -42.2875 -9.4646 556649.7110 -23.1516 -23.3228 PRESSURE: 899400 -314.847 27.3149 36.1639 27.3147 203.086 66.5532 36.1641 66.5547 -50.922 GPRESSURE: 899400 -296.739 149.573 -105.392 66.4834 224.628 8.94819 9.07087 154.895 6.58649 PRESSAVG: 899400 35.7345 -15.0326 45.6474 -15.0326 -12.9825 9.80715 45.6473 9.80716 7.33955 GPRESSAVG: 899400 36.2827 -12.6897 45.8614 -18.0534 -13.4155 11.0998 46.5771 8.95731 7.14117 TIMING: 899400 CPU: 2605.48, 0.00290405/step Wall: 2605.48, 0.00290405/step, 3.30787 hours remaining, 207.328125 MB of memory in use. ENERGY: 899400 762.0326 2070.1718 1949.8148 111.7972 -206252.9818 17749.6992 0.0000 0.0000 34056.4152 -149553.0509 297.4231 -183609.4661 -149463.1965 297.9225 -54.2274 -21.8418 556659.2183 10.0305 10.0028 PRESSURE: 899600 76.2636 -72.6082 32.4961 -72.6085 58.7193 -69.3478 32.4955 -69.3473 244.253 GPRESSURE: 899600 117.113 -137.891 41.0983 -57.226 112.144 -46.8328 110.301 -34.3916 238.617 PRESSAVG: 899600 17.9222 -10.9215 36.0158 -10.9215 -21.6503 48.5049 36.0159 48.5049 -2.72717 GPRESSAVG: 899600 18.6975 -13.4821 34.9253 -9.44342 -20.6101 47.1951 36.9275 49.0045 -3.5292 TIMING: 899600 CPU: 2606.06, 0.00289418/step Wall: 2606.06, 0.00289418/step, 3.29647 hours remaining, 207.328125 MB of memory in use. ENERGY: 899600 743.8082 2044.3384 1955.3264 121.4344 -206870.1155 18077.9000 0.0000 0.0000 34217.8695 -149709.4387 298.8332 -183927.3082 -149609.7427 298.6394 126.4118 155.9582 556379.2152 -2.1518 -1.8140 PRESSURE: 899800 -96.9187 -109.656 223.006 -109.656 98.8556 28.0136 223.005 28.0139 -37.7686 GPRESSURE: 899800 -80.7995 -37.6407 224.03 -123.818 165.844 25.628 239.258 -45.8045 -22.069 PRESSAVG: 899800 45.3721 -24.9449 13.7201 -24.9448 21.2815 -17.4776 13.7201 -17.4776 -79.3275 GPRESSAVG: 899800 45.3322 -23.3753 14.177 -24.5677 20.1563 -16.486 13.4483 -17.0266 -78.1143 TIMING: 899800 CPU: 2606.64, 0.00291484/step Wall: 2606.64, 0.00291484/step, 3.31984 hours remaining, 207.527344 MB of memory in use. ENERGY: 899800 779.7800 2109.2530 1972.1099 117.1956 -206756.9907 18044.7893 0.0000 0.0000 34165.1316 -149568.7312 298.3726 -183733.8629 -149470.2797 298.2218 -11.9439 20.9917 556394.2433 -4.2247 -4.2086 PRESSURE: 900000 -238.679 -98.4939 74.5937 -98.4931 48.0984 -47.9451 74.5943 -47.9449 -47.2765 GPRESSURE: 900000 -191.299 -106.748 105.001 -78.3762 111.59 -5.68467 25.0034 6.9121 -67.6889 PRESSAVG: 900000 -4.11128 -17.1628 90.3986 -17.1628 27.65 31.5326 90.3986 31.5327 25.8905 GPRESSAVG: 900000 -4.43183 -17.07 90.1356 -17.1877 27.7402 33.5963 88.8094 31.0687 25.9761 TIMING: 900000 CPU: 2607.23, 0.00293636/step Wall: 2607.23, 0.00293636/step, 3.34419 hours remaining, 207.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 900000 793.4806 2099.6354 1955.1524 111.2732 -206547.0246 17876.6343 0.0000 0.0000 34282.5923 -149428.2564 299.3984 -183710.8487 -149330.0461 298.8401 -79.2857 -49.1325 556556.6805 16.4764 16.4281 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.010 seconds, 207.527 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 18.5269 -140.728 -41.625 -140.727 -104.665 51.9431 -41.6263 51.9418 -59.7282 GPRESSURE: 900200 72.3404 -110.821 -69.1337 -161.287 -88.5366 14.5979 -35.5096 94.6599 -44.6246 PRESSAVG: 900200 -42.6241 -46.4844 -4.63382 -46.4845 15.2426 -8.79999 -4.63381 -8.80021 21.9738 GPRESSAVG: 900200 -41.5253 -45.0941 -3.9453 -45.6593 15.5158 -11.1083 -2.79115 -9.5408 20.9253 TIMING: 900200 CPU: 2607.83, 0.00298076/step Wall: 2607.83, 0.00298076/step, 3.39458 hours remaining, 207.527344 MB of memory in use. ENERGY: 900200 731.9826 2078.1879 1962.9381 110.4591 -206192.9155 17722.9320 0.0000 0.0000 34327.5014 -149258.9144 299.7906 -183586.4158 -149159.5054 299.5696 -48.6221 -20.2736 557885.7587 -1.8026 -1.6947 LDB: ============= START OF LOAD BALANCING ============== 2611.21 LDB: ============== END OF LOAD BALANCING =============== 2611.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2611.21 LDB: ============= START OF LOAD BALANCING ============== 2611.5 LDB: Largest compute 4820 load 0.028247 is 23.9% of average load 0.117985 LDB: Average compute 0.001716 is 1.5% of average load 0.117985 LDB: TIME 2611.5 LOAD: AVG 0.117985 MAX 0.186848 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.613 MB LDB: TIME 2611.5 LOAD: AVG 0.117985 MAX 0.186848 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.613 MB LDB: TIME 2611.5 LOAD: AVG 0.117985 MAX 0.186848 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.613 MB LDB: ============== END OF LOAD BALANCING =============== 2611.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2611.51 PRESSURE: 900400 19.0522 -65.8466 127.721 -65.846 -57.0238 -61.403 127.722 -61.4021 154.736 GPRESSURE: 900400 12.1573 -49.8928 148.7 -39.5383 21.7639 -176.547 89.8689 -20.3414 176.547 PRESSAVG: 900400 -0.47643 -34.3591 23.6903 -34.3591 -40.1932 -12.1764 23.6903 -12.1765 22.3211 GPRESSAVG: 900400 -1.60842 -36.1026 23.2648 -33.694 -40.1268 -12.623 24.2051 -10.6024 23.1769 TIMING: 900400 CPU: 2608.42, 0.0029469/step Wall: 2608.42, 0.0029469/step, 3.35586 hours remaining, 206.609375 MB of memory in use. ENERGY: 900400 737.3787 2153.0588 1931.1312 122.4497 -206664.4193 17966.1280 0.0000 0.0000 34521.2548 -149233.0180 301.4827 -183754.2728 -149135.3708 299.2566 38.9215 70.1562 557147.0693 -6.1162 -6.1861 PRESSURE: 900600 -473.802 -5.9956 166.526 -5.99472 -31.3156 -14.8222 166.526 -14.8212 -103.152 GPRESSURE: 900600 -467.614 52.2122 180.305 -36.1592 60.339 -37.6268 113.313 -36.452 -105.316 PRESSAVG: 900600 -8.73465 19.0959 70.8563 19.0959 51.6858 -28.6923 70.8564 -28.6923 -29.1696 GPRESSAVG: 900600 -8.80572 18.4691 69.9749 17.882 52.2375 -28.7557 69.5528 -29.5917 -29.0498 TIMING: 900600 CPU: 2608.99, 0.00289596/step Wall: 2608.99, 0.00289596/step, 3.29769 hours remaining, 206.609375 MB of memory in use. ENERGY: 900600 740.2829 2134.3403 1927.2712 118.2539 -205669.4958 17492.9111 0.0000 0.0000 34053.4035 -149203.0329 297.3968 -183256.4364 -149110.6378 299.3391 -202.7567 -170.8637 557799.3204 4.5939 4.7940 PRESSURE: 900800 108.293 26.623 -221.938 26.6227 -130.164 -26.8687 -221.938 -26.8706 -271.449 GPRESSURE: 900800 67.0547 119.653 -170.109 20.8389 -48.1267 -44.0778 -195.314 49.0623 -217.326 PRESSAVG: 900800 34.3044 25.7892 -12.4561 25.7893 36.9511 -49.2843 -12.4561 -49.2843 -66.463 GPRESSAVG: 900800 34.8176 28.0123 -12.0129 24.0019 35.2954 -48.5879 -11.0987 -47.9549 -65.887 TIMING: 900800 CPU: 2609.57, 0.00288199/step Wall: 2609.57, 0.00288199/step, 3.28162 hours remaining, 206.609375 MB of memory in use. ENERGY: 900800 739.0901 2096.0074 1938.5884 102.8668 -206399.5135 17732.4065 0.0000 0.0000 34538.3207 -149252.2337 301.6317 -183790.5544 -149161.3523 299.2932 -97.7730 -66.1326 557354.7585 1.5975 1.4086 PRESSURE: 901000 -101.519 26.3511 -62.5847 26.3509 65.8207 -89.2917 -62.5842 -89.2907 -94.0983 GPRESSURE: 901000 -98.6233 57.5513 -26.9358 76.5057 117.564 -8.14374 -78.461 -123.949 -39.4721 PRESSAVG: 901000 -1.71448 -28.9831 6.04057 -28.9831 19.8608 50.8172 6.04054 50.8172 -19.2494 GPRESSAVG: 901000 -2.40888 -28.9587 6.58598 -27.0937 21.0693 50.36 4.69707 48.9443 -19.5925 TIMING: 901000 CPU: 2610.15, 0.00288626/step Wall: 2610.15, 0.00288626/step, 3.28633 hours remaining, 206.609375 MB of memory in use. ENERGY: 901000 755.4535 2117.3185 1936.4593 121.3803 -206194.6517 17780.7378 0.0000 0.0000 34248.8085 -149234.4939 299.1034 -183483.3024 -149136.9455 299.3395 -43.2656 -6.8436 558906.0123 -0.3677 -0.3107 PRESSURE: 901200 -62.6059 9.85656 -221.163 9.85775 -101.217 -194.753 -221.162 -194.752 64.0987 GPRESSURE: 901200 -59.1133 -2.46909 -252.301 -10.5366 -33.3408 -172.657 -256.194 -234.668 85.5079 PRESSAVG: 901200 -52.585 -11.1362 -32.7174 -11.1362 22.0131 43.9686 -32.7174 43.9686 47.9812 GPRESSAVG: 901200 -52.3096 -13.9218 -35.2429 -10.5023 22.6679 42.9053 -31.1213 44.3716 47.4866 TIMING: 901200 CPU: 2610.73, 0.00289683/step Wall: 2610.73, 0.00289684/step, 3.29821 hours remaining, 206.609375 MB of memory in use. ENERGY: 901200 763.5803 2043.1616 1938.4362 129.7972 -206440.5286 17982.4506 0.0000 0.0000 34143.1051 -149439.9975 298.1802 -183583.1026 -149346.9247 298.9236 -33.2416 -2.3154 556515.8734 5.8031 5.9483 PRESSURE: 901400 -89.5278 58.0336 -170.985 58.0353 176.803 -31.5887 -170.986 -31.589 49.4588 GPRESSURE: 901400 -77.8384 59.4537 -315.577 80.0853 177.44 -26.7088 -123.942 -111.886 137.949 PRESSAVG: 901400 -6.54225 17.3247 -10.2015 17.3248 -4.73847 28.0133 -10.2015 28.0132 24.8539 GPRESSAVG: 901400 -7.22173 19.6111 -8.63917 16.9822 -4.36226 28.5095 -8.77953 28.724 25.0689 TIMING: 901400 CPU: 2611.31, 0.00290516/step Wall: 2611.31, 0.00290516/step, 3.30752 hours remaining, 206.609375 MB of memory in use. ENERGY: 901400 746.1416 2128.8699 1971.7644 123.0445 -206297.0890 18001.5542 0.0000 0.0000 34111.1859 -149214.5285 297.9015 -183325.7144 -149124.5051 298.6349 45.5778 79.1837 557458.5255 4.5244 4.4950 PRESSURE: 901600 -146.615 51.8167 26.1016 51.8164 56.2811 27.0199 26.1019 27.0216 -34.4015 GPRESSURE: 901600 -129.23 63.5701 15.6805 -1.43 114.367 86.4164 40.5334 64.8706 -17.5955 PRESSAVG: 901600 -35.3799 -11.6561 18.6421 -11.6561 37.9348 59.3288 18.6421 59.3288 30.5534 GPRESSAVG: 901600 -33.8313 -11.195 18.9611 -12.8196 36.2842 59.0861 15.5649 58.4517 31.1816 TIMING: 901600 CPU: 2611.89, 0.00292025/step Wall: 2611.89, 0.00292025/step, 3.32454 hours remaining, 206.609375 MB of memory in use. ENERGY: 901600 771.0001 2071.7842 1946.6939 108.9428 -206379.7118 17962.8140 0.0000 0.0000 34255.6833 -149262.7935 299.1634 -183518.4768 -149160.3452 298.9375 -41.5784 -10.8196 558769.9674 11.0361 11.2115 PRESSURE: 901800 -136.453 58.8037 95.949 58.8034 232.652 69.0808 95.9481 69.0812 194.053 GPRESSURE: 901800 -147.803 78.4006 140.947 -20.5208 264.97 77.8039 -2.31327 32.5129 278.284 PRESSAVG: 901800 -28.4644 -2.80029 -15.6924 -2.8003 48.1157 56.3179 -15.6924 56.3179 -17.1144 GPRESSAVG: 901800 -29.0468 -5.7277 -15.3671 -1.98268 48.3635 58.1161 -15.3379 57.4924 -17.0846 TIMING: 901800 CPU: 2612.48, 0.00293339/step Wall: 2612.48, 0.00293339/step, 3.33934 hours remaining, 206.609375 MB of memory in use. ENERGY: 901800 742.5205 2040.1580 1947.3833 106.4290 -206783.7394 18190.0350 0.0000 0.0000 34368.9343 -149388.2793 300.1525 -183757.2137 -149291.3957 298.7778 96.7508 131.8171 558493.5986 0.8456 0.7440 PRESSURE: 902000 230.071 112.429 128.541 112.429 -119.429 117.714 128.541 117.712 109.632 GPRESSURE: 902000 215.862 147.54 111.707 19.365 -99.76 110.454 141.966 98.2971 199.332 PRESSAVG: 902000 18.2279 -14.5679 -37.5574 -14.568 -15.6883 46.2315 -37.5574 46.2315 -20.6561 GPRESSAVG: 902000 18.6425 -12.7709 -35.6177 -14.8388 -15.0907 47.1348 -37.6229 45.004 -21.4769 TIMING: 902000 CPU: 2613.06, 0.00290197/step Wall: 2613.06, 0.00290197/step, 3.30341 hours remaining, 206.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 902000 735.7172 2065.0629 1960.8453 103.4997 -206106.9256 17728.3717 0.0000 0.0000 34201.3176 -149312.1112 298.6886 -183513.4288 -149219.5948 299.3546 73.4247 105.1448 557284.0342 -6.0388 -5.9750 PRESSURE: 902200 203.674 -50.4317 67.0326 -50.4308 158.036 19.5457 67.0328 19.5464 39.9597 GPRESSURE: 902200 222.146 -11.8934 36.2832 -88.5247 172.44 15.1064 106.59 53.5942 113.12 PRESSAVG: 902200 35.0922 -2.27941 -12.6038 -2.2794 -33.6619 20.0142 -12.6038 20.0143 -6.1875 GPRESSAVG: 902200 35.7314 -1.57066 -16.4456 -3.56651 -34.6588 18.3198 -11.5308 21.5671 -5.63993 TIMING: 902200 CPU: 2613.64, 0.00290869/step Wall: 2613.64, 0.00290869/step, 3.3109 hours remaining, 206.609375 MB of memory in use. ENERGY: 902200 731.3141 2105.4331 1944.1381 123.2704 -206349.8305 17824.8218 0.0000 0.0000 34191.8581 -149428.9949 298.6060 -183620.8531 -149334.5377 299.1806 133.8899 169.2350 556267.4201 -1.5857 -1.5224 PRESSURE: 902400 55.315 43.8038 -109.99 43.8055 90.5437 -128.182 -109.991 -128.182 40.0417 GPRESSURE: 902400 47.5743 5.77258 -46.8427 -7.2072 113.728 -97.8188 -68.5462 -150.838 124.316 PRESSAVG: 902400 64.131 -27.6517 -1.06166 -27.6516 -86.5813 -53.4923 -1.06161 -53.4922 -17.756 GPRESSAVG: 902400 63.8824 -28.2853 2.74569 -26.4953 -85.3706 -54.874 -0.698878 -52.0346 -19.5285 TIMING: 902400 CPU: 2614.22, 0.00290452/step Wall: 2614.22, 0.00290452/step, 3.30599 hours remaining, 206.609375 MB of memory in use. ENERGY: 902400 721.4619 2055.8888 1944.7406 111.4491 -206605.4564 18080.9931 0.0000 0.0000 34139.8526 -149551.0703 298.1518 -183690.9229 -149460.0132 298.6835 61.9668 95.2062 557627.2258 -13.4021 -13.6722 PRESSURE: 902600 -306.678 -9.10179 17.9541 -9.1026 -278.65 188.17 17.9544 188.17 -123.678 GPRESSURE: 902600 -275.288 -18.0544 105.416 -48.5944 -242.678 219.158 -7.79393 233.552 -105.192 PRESSAVG: 902600 -71.9739 -18.0022 -40.3121 -18.0021 4.38527 -2.08075 -40.312 -2.08069 73.8487 GPRESSAVG: 902600 -73.628 -16.4642 -40.5817 -18.0498 4.37628 1.22445 -42.0213 -4.84214 75.2719 TIMING: 902600 CPU: 2614.81, 0.00293728/step Wall: 2614.81, 0.00293728/step, 3.34311 hours remaining, 206.867188 MB of memory in use. ENERGY: 902600 724.4864 2053.1075 1961.6533 115.9231 -206140.1868 17584.2285 0.0000 0.0000 34147.5013 -149553.2866 298.2186 -183700.7879 -149451.9583 297.8718 -236.3353 -207.7192 557872.7862 2.0867 2.0067 PRESSURE: 902800 -45.0359 -129.096 -177.493 -129.097 -172.759 -84.2794 -177.492 -84.2785 284.975 GPRESSURE: 902800 -12.2193 -85.1973 -172.94 -159.459 -151.996 -167.021 -191.029 -67.2252 336.334 PRESSAVG: 902800 -21.3716 6.05816 -32.1363 6.05819 -10.5766 23.2305 -32.1363 23.2305 35.4369 GPRESSAVG: 902800 -20.82 3.72031 -32.0167 7.03221 -11.128 22.1456 -31.1243 23.796 35.6075 TIMING: 902800 CPU: 2615.4, 0.00293531/step Wall: 2615.4, 0.00293531/step, 3.34071 hours remaining, 206.867188 MB of memory in use. ENERGY: 902800 738.3522 2010.0811 1947.5713 115.6228 -206154.3648 17821.2202 0.0000 0.0000 34115.7670 -149405.7502 297.9415 -183521.5172 -149312.7321 298.4142 22.3932 57.3728 557575.1921 1.1629 1.2198 PRESSURE: 903000 82.0995 -56.6224 1.38433 -56.6229 4.79889 38.387 1.38479 38.3876 96.296 GPRESSURE: 903000 114.552 -46.5416 -28.7645 10.6153 36.3719 -25.7196 61.6172 14.4689 129.923 PRESSAVG: 903000 -19.2174 -12.3497 5.81946 -12.3498 -43.3907 25.8491 5.8195 25.8491 79.1932 GPRESSAVG: 903000 -18.677 -10.4154 7.48906 -10.4884 -43.5692 25.7636 4.955 25.1973 78.8225 TIMING: 903000 CPU: 2615.98, 0.00290214/step Wall: 2615.98, 0.00290214/step, 3.3028 hours remaining, 206.933594 MB of memory in use. ENERGY: 903000 741.8619 2133.9163 1933.6305 109.9265 -206600.6009 18042.5763 0.0000 0.0000 34197.9728 -149440.7167 298.6594 -183638.6895 -149344.0315 298.2454 61.0648 93.6154 557260.4323 5.5284 5.5255 PRESSURE: 903200 270.929 -125.038 27.4537 -125.037 -133.676 -71.6669 27.4534 -71.6676 -257.374 GPRESSURE: 903200 262.365 -203.084 7.05343 -151.925 -121.49 -99.968 25.66 -80.8383 -176.403 PRESSAVG: 903200 46.5087 -29.866 1.68098 -29.8661 -37.0728 -49.7951 1.68094 -49.7952 -12.8885 GPRESSAVG: 903200 44.9971 -30.0686 -1.49666 -32.3598 -35.8485 -50.666 1.76241 -49.6562 -12.3633 TIMING: 903200 CPU: 2616.56, 0.0029015/step Wall: 2616.56, 0.0029015/step, 3.30191 hours remaining, 206.933594 MB of memory in use. ENERGY: 903200 744.1422 2117.1558 1952.6438 125.6316 -206074.4058 17587.2142 0.0000 0.0000 34064.4746 -149483.1435 297.4935 -183547.6181 -149394.2679 298.4760 -40.0403 -11.8425 556993.0966 -1.1509 -1.0716 PRESSURE: 903400 -49.0367 -17.7282 85.84 -17.7292 -227.48 -34.6296 85.8397 -34.6274 -55.6567 GPRESSURE: 903400 -53.9995 160.911 55.411 -95.2937 -220.287 72.9826 95.9737 -63.8153 50.1652 PRESSAVG: 903400 -13.8804 10.9008 16.46 10.9008 22.8989 -50.5993 16.46 -50.5992 16.945 GPRESSAVG: 903400 -11.2183 11.5949 15.9778 11.6732 21.0872 -47.8564 16.476 -50.6891 16.4176 TIMING: 903400 CPU: 2617.14, 0.00289633/step Wall: 2617.14, 0.00289633/step, 3.29587 hours remaining, 206.933594 MB of memory in use. ENERGY: 903400 727.0633 2056.9139 1936.6096 119.6975 -206132.2541 17715.8128 0.0000 0.0000 34209.6055 -149366.5515 298.7610 -183576.1570 -149268.2903 298.2229 -110.7245 -74.7071 556836.4151 8.6545 8.7622 PRESSURE: 903600 5.83513 -5.6751 147.525 -5.67453 10.3042 -22.1785 147.527 -22.1793 134.072 GPRESSURE: 903600 -20.3865 33.6468 104.801 -30.6731 65.6198 -135.378 51.7729 -8.84708 191.656 PRESSAVG: 903600 10.5046 29.5661 25.7887 29.5662 -27.2606 -56.5005 25.7887 -56.5006 -17.9743 GPRESSAVG: 903600 9.03293 27.9851 26.6778 31.2487 -26.6632 -57.1617 27.4376 -57.6482 -18.1188 TIMING: 903600 CPU: 2617.71, 0.00287692/step Wall: 2617.71, 0.00287693/step, 3.27362 hours remaining, 206.933594 MB of memory in use. ENERGY: 903600 779.5924 2154.0948 1914.5225 114.3952 -206232.1690 17725.5121 0.0000 0.0000 34425.8575 -149118.1945 300.6496 -183544.0520 -149023.2874 299.3740 50.0706 78.9631 555989.7009 -11.5768 -11.9163 PRESSURE: 903800 -51.6427 -84.271 17.383 -84.2716 1.11427 -2.25355 17.3844 -2.25234 202.357 GPRESSURE: 903800 0.443798 -125.905 69.0723 -132.625 28.312 49.7235 -14.7161 71.736 220.276 PRESSAVG: 903800 9.51186 -41.3322 25.831 -41.3323 -48.6387 21.7006 25.8311 21.7005 17.2642 GPRESSAVG: 903800 10.0947 -40.4093 24.8885 -43.1471 -48.9127 20.5377 26.407 24.0977 16.5553 TIMING: 903800 CPU: 2618.29, 0.00287762/step Wall: 2618.29, 0.00287762/step, 3.27425 hours remaining, 206.933594 MB of memory in use. ENERGY: 903800 757.3481 2086.4659 1962.8772 121.2814 -206394.5576 17874.6761 0.0000 0.0000 34267.6678 -149324.2410 299.2681 -183591.9088 -149223.5831 298.3569 50.6094 83.0106 556227.9459 -7.2875 -7.4209 PRESSURE: 904000 28.8861 156.781 -20.8795 156.781 -104.942 90.4597 -20.8788 90.4591 -95.2265 GPRESSURE: 904000 76.6077 117.36 38.6618 101.473 -73.1556 174.051 9.57193 35.0321 -75.6668 PRESSAVG: 904000 43.9418 -22.984 0.746026 -22.984 -10.2494 35.691 0.746156 35.691 -23.1561 GPRESSAVG: 904000 44.0982 -25.2267 2.54411 -22.2838 -9.944 38.0926 -1.53472 33.5913 -23.3203 TIMING: 904000 CPU: 2618.86, 0.00287725/step Wall: 2618.86, 0.00287725/step, 3.27368 hours remaining, 206.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 904000 763.5624 2055.5062 1950.5432 112.6794 -206122.4009 17719.9380 0.0000 0.0000 34323.5907 -149196.5811 299.7565 -183520.1718 -149102.0602 298.8386 -57.0941 -24.0716 557375.0536 3.5121 3.6113 PRESSURE: 904200 118.17 -1.52906 46.3551 -1.52788 -18.2102 -83.4099 46.3547 -83.4095 -89.3478 GPRESSURE: 904200 81.6846 -121.67 83.2398 -49.1622 48.5013 -46.6261 33.0136 -65.1457 -25.6452 PRESSAVG: 904200 61.5096 16.161 -9.40991 16.161 33.5186 -46.9438 -9.40987 -46.9437 -77.0103 GPRESSAVG: 904200 61.7804 17.6676 -12.7852 19.8843 33.0193 -47.0342 -6.62935 -46.9519 -76.9186 TIMING: 904200 CPU: 2619.44, 0.00287224/step Wall: 2619.44, 0.00287224/step, 3.26782 hours remaining, 206.933594 MB of memory in use. ENERGY: 904200 753.3205 2074.7135 1905.7087 122.5701 -205990.2084 17759.2676 0.0000 0.0000 34306.7574 -149067.8705 299.6094 -183374.6279 -148973.7709 299.6355 3.5372 34.8469 558928.9768 6.0060 5.9604 LDB: ============= START OF LOAD BALANCING ============== 2622.82 LDB: ============== END OF LOAD BALANCING =============== 2622.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2622.82 LDB: ============= START OF LOAD BALANCING ============== 2623.11 LDB: Largest compute 4822 load 0.027048 is 22.9% of average load 0.117973 LDB: Average compute 0.001723 is 1.5% of average load 0.117973 LDB: TIME 2623.11 LOAD: AVG 0.117973 MAX 0.182105 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.863 MB LDB: TIME 2623.11 LOAD: AVG 0.117973 MAX 0.182105 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: TIME 2623.11 LOAD: AVG 0.117973 MAX 0.182105 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2623.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2623.12 PRESSURE: 904400 -10.6642 -74.8806 49.4412 -74.8791 -119.266 11.651 49.4419 11.6491 -266.623 GPRESSURE: 904400 -18.5688 -79.8538 103.206 -27.2692 -62.0473 32.7131 -12.5436 15.5771 -217.692 PRESSAVG: 904400 67.0654 40.5266 -5.97223 40.5267 45.5285 45.6576 -5.97236 45.6577 -63.9032 GPRESSAVG: 904400 67.5479 41.7523 -3.07018 36.4561 45.5347 46.0063 -5.78114 45.8702 -64.1574 TIMING: 904400 CPU: 2620.02, 0.00293384/step Wall: 2620.02, 0.00293384/step, 3.33773 hours remaining, 206.046875 MB of memory in use. ENERGY: 904400 748.0239 2066.6320 1950.4483 112.7233 -206010.4756 17675.0376 0.0000 0.0000 34316.0205 -149141.5901 299.6903 -183457.6106 -149054.8498 299.5182 -132.1843 -99.4362 558171.7681 16.2302 16.3084 PRESSURE: 904600 321.335 92.1774 -5.28189 92.177 -62.5376 -1.60883 -5.28114 -1.60874 180.239 GPRESSURE: 904600 330.657 97.8366 90.0475 107.168 -14.7982 -57.2455 41.9364 16.1522 234.387 PRESSAVG: 904600 36.0457 27.089 -13.855 27.0889 -13.6179 14.2939 -13.8551 14.2939 -49.4656 GPRESSAVG: 904600 34.9695 25.5187 -14.5219 28.4997 -12.5795 12.5879 -14.5845 12.9578 -48.9631 TIMING: 904600 CPU: 2620.6, 0.00288968/step Wall: 2620.6, 0.00288968/step, 3.28733 hours remaining, 206.046875 MB of memory in use. ENERGY: 904600 747.7553 2070.1468 1939.7548 116.7416 -206749.6572 18220.6821 0.0000 0.0000 34522.6217 -149131.9548 301.4946 -183654.5765 -149033.4854 299.9102 146.3456 183.4153 557784.4951 -9.0126 -8.8577 PRESSURE: 904800 -58.4637 -44.8913 24.4549 -44.891 83.1236 -42.6421 24.4549 -42.6417 39.7113 GPRESSURE: 904800 1.39939 36.7541 -64.6902 -43.1675 119 17.4106 13.837 -18.5762 41.2263 PRESSAVG: 904800 -76.7816 47.6313 -4.71898 47.6313 -25.1378 15.503 -4.71908 15.503 66.2748 GPRESSAVG: 904800 -75.5617 48.1088 -5.46408 46.1314 -26.3426 17.5175 -4.45949 16.1711 66.9475 TIMING: 904800 CPU: 2621.18, 0.00288538/step Wall: 2621.18, 0.00288538/step, 3.28228 hours remaining, 206.046875 MB of memory in use. ENERGY: 904800 713.5949 2117.4709 1976.2478 111.9496 -206260.6401 17857.6789 0.0000 0.0000 34354.0795 -149129.6184 300.0227 -183483.6979 -149023.3458 299.9224 21.4571 53.8751 557399.1306 -11.8815 -11.6523 PRESSURE: 905000 34.3455 -123.203 -49.3583 -123.203 311.092 87.8742 -49.3593 87.8736 93.7455 GPRESSURE: 905000 33.7796 -105.858 -99.2587 -94.1782 340.312 77.1321 0.0493338 163.686 159.014 PRESSAVG: 905000 1.86876 4.68518 6.1826 4.6852 26.9128 13.0971 6.18252 13.0971 17.8303 GPRESSAVG: 905000 1.9353 4.47899 9.54202 5.55725 28.4894 11.2794 4.37067 14.3955 16.1609 TIMING: 905000 CPU: 2621.76, 0.00288491/step Wall: 2621.76, 0.00288491/step, 3.28158 hours remaining, 206.046875 MB of memory in use. ENERGY: 905000 760.9355 2102.6617 1964.6190 123.5283 -206600.6390 18119.9478 0.0000 0.0000 34469.2431 -149059.7035 301.0285 -183528.9467 -148964.0788 299.4001 146.3944 177.7020 556895.4841 15.5373 15.5286 PRESSURE: 905200 21.3796 -66.7085 38.6303 -66.7097 88.814 60.2717 38.6309 60.2715 -272.398 GPRESSURE: 905200 44.6157 -62.7629 12.6636 1.84199 133.28 133.336 167.26 35.1658 -256.978 PRESSAVG: 905200 -31.6161 -33.3006 22.0778 -33.3006 -0.0405591 30.6444 22.0779 30.6442 55.878 GPRESSAVG: 905200 -31.766 -34.1133 20.0294 -34.3229 -0.580058 30.1246 23.6277 29.0896 56.3389 TIMING: 905200 CPU: 2622.33, 0.00287592/step Wall: 2622.33, 0.00287592/step, 3.2712 hours remaining, 206.046875 MB of memory in use. ENERGY: 905200 791.6174 2078.6332 1956.8469 115.0915 -206169.4822 17914.8853 0.0000 0.0000 34315.6849 -148996.7229 299.6874 -183312.4078 -148901.9683 300.1778 -54.0683 -26.3610 557699.3660 8.0738 7.9976 PRESSURE: 905400 148.875 -134.535 69.8722 -134.535 199.621 -14.793 69.8725 -14.7923 -43.0987 GPRESSURE: 905400 113.043 -66.6202 10.5629 -104.738 239.609 -11.1553 137.326 -67.0214 37.9986 PRESSAVG: 905400 -8.51756 10.7181 45.0216 10.7181 81.1861 22.2758 45.0217 22.2758 -39.202 GPRESSAVG: 905400 -10.6328 12.2074 45.7578 11.3834 82.0695 25.7376 44.9865 22.0833 -38.6119 TIMING: 905400 CPU: 2622.92, 0.00292479/step Wall: 2622.92, 0.00292479/step, 3.32662 hours remaining, 206.046875 MB of memory in use. ENERGY: 905400 742.8107 2151.3118 1953.7457 120.0613 -206213.2078 17779.9810 0.0000 0.0000 34459.9394 -149005.3580 300.9472 -183465.2973 -148903.3121 299.5145 101.7990 130.2170 557152.3896 11.1555 10.9416 PRESSURE: 905600 -15.0251 -42.0098 -26.6514 -42.0104 33.0582 -8.86762 -26.6517 -8.86769 82.0258 GPRESSURE: 905600 -19.3157 2.19175 86.1924 -89.0498 121.269 -20.3202 -103.39 -16.6626 87.7062 PRESSAVG: 905600 -62.4777 7.16248 7.10031 7.16245 66.1091 41.9919 7.10025 41.992 -4.63326 GPRESSAVG: 905600 -61.41 6.7921 7.0287 7.26035 65.2076 38.1872 6.50599 43.7449 -4.34919 TIMING: 905600 CPU: 2623.5, 0.00292623/step Wall: 2623.5, 0.00292623/step, 3.32809 hours remaining, 206.046875 MB of memory in use. ENERGY: 905600 766.5017 2074.7511 1945.8950 121.3188 -206224.7567 17927.8503 0.0000 0.0000 34242.2584 -149146.1815 299.0462 -183388.4399 -149049.6322 299.4203 33.3530 63.2199 558419.4105 -0.3339 -0.1839 PRESSURE: 905800 150.925 -117.186 -25.3262 -117.186 124.21 -3.70209 -25.3265 -3.70249 93.1211 GPRESSURE: 905800 185.69 -88.4854 23.5871 -129.644 212.944 -83.301 -0.917901 133.248 53.7484 PRESSAVG: 905800 35.3453 41.9734 38.5598 41.9734 28.4059 19.4217 38.5597 19.4218 -30.0252 GPRESSAVG: 905800 35.2836 42.5288 38.8809 42.7739 29.3149 20.2024 38.7766 20.2957 -30.9848 TIMING: 905800 CPU: 2624.08, 0.00290315/step Wall: 2624.08, 0.00290315/step, 3.30169 hours remaining, 206.046875 MB of memory in use. ENERGY: 905800 744.7675 2132.1953 1964.8422 133.1450 -206554.7786 18006.7130 0.0000 0.0000 34301.0298 -149272.0858 299.5594 -183573.1156 -149177.0599 298.9686 122.7518 150.7941 558287.6954 11.2420 11.2046 PRESSURE: 906000 -109.222 136.028 59.9494 136.028 -312.662 34.645 59.9498 34.645 -108.304 GPRESSURE: 906000 -111.72 127.278 8.21036 153.692 -280.962 4.31185 79.8651 -62.2008 -29.3414 PRESSAVG: 906000 -58.2141 60.9779 68.7266 60.9778 41.5744 -48.9075 68.7266 -48.9073 2.36958 GPRESSAVG: 906000 -59.9966 60.9691 67.9261 60.7409 40.7244 -49.5155 68.6451 -51.0316 4.84683 TIMING: 906000 CPU: 2624.67, 0.00292087/step Wall: 2624.67, 0.00292087/step, 3.32168 hours remaining, 206.046875 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: 906000 760.2855 2068.6835 1955.3543 117.8324 -205629.2160 17530.2856 0.0000 0.0000 34078.3532 -149118.4216 297.6147 -183196.7747 -149021.8344 299.4190 -176.7292 -140.6746 558521.0562 -4.7567 -4.8085 PRESSURE: 906200 -4.17283 38.4734 140.321 38.4723 175.846 105.563 140.321 105.564 11.8714 GPRESSURE: 906200 41.5659 18.0582 123.848 74.9902 230.401 125.19 97.5125 43.5758 2.55511 PRESSAVG: 906200 -18.5855 38.0021 64.3042 38.002 -18.4076 57.2996 64.3043 57.2996 8.02096 GPRESSAVG: 906200 -16.2481 37.7775 64.0094 38.3939 -17.3989 59.1249 64.0051 56.8046 5.19297 TIMING: 906200 CPU: 2625.25, 0.00291121/step Wall: 2625.25, 0.00291121/step, 3.31053 hours remaining, 206.046875 MB of memory in use. ENERGY: 906200 720.3120 2095.5721 1976.2031 122.0245 -206500.6984 17991.8303 0.0000 0.0000 34502.7646 -149091.9919 301.3212 -183594.7565 -148997.2671 299.5010 61.1814 91.5074 557102.9904 -9.6574 -9.4847 PRESSURE: 906400 -432.062 -12.4159 161.698 -12.4153 -230.34 -82.214 161.699 -82.2157 -110.992 GPRESSURE: 906400 -364.095 -8.19477 144.082 -82.4393 -186.086 -172.682 161.676 -19.2936 -114.344 PRESSAVG: 906400 40.7197 7.34218 17.4265 7.34216 -9.55174 14.4322 17.4264 14.432 -30.0694 GPRESSAVG: 906400 40.7152 5.23037 18.8724 7.06855 -11.1906 14.2893 17.4954 16.7512 -28.1941 TIMING: 906400 CPU: 2625.83, 0.00292473/step Wall: 2625.83, 0.00292473/step, 3.32575 hours remaining, 206.046875 MB of memory in use. ENERGY: 906400 770.7332 2082.6998 1978.6753 115.6379 -205802.3550 17469.2321 0.0000 0.0000 34313.0833 -149072.2933 299.6647 -183385.3766 -148970.6088 300.7141 -257.7979 -221.5084 559148.5036 0.3662 0.4435 PRESSURE: 906600 -68.7383 45.1665 -15.0372 45.1667 -266.238 1.42605 -15.0372 1.42627 -84.5756 GPRESSURE: 906600 -59.3706 -23.4834 1.77004 38.3669 -201.841 43.8754 -0.141882 23.704 -57.267 PRESSAVG: 906600 43.6359 -52.6415 -12.979 -52.6415 1.48407 18.4082 -12.9791 18.4083 -30.127 GPRESSAVG: 906600 44.2852 -52.7164 -12.1839 -52.256 1.26071 18.4375 -15.1821 16.1385 -30.5415 TIMING: 906600 CPU: 2626.42, 0.00291989/step Wall: 2626.42, 0.00291989/step, 3.32008 hours remaining, 206.046875 MB of memory in use. ENERGY: 906600 757.2488 2088.6310 1948.4641 98.5209 -205800.6612 17560.1281 0.0000 0.0000 34460.4801 -148887.1881 300.9519 -183347.6682 -148792.3852 300.1858 -139.8507 -106.1594 557997.9980 4.9977 5.0015 PRESSURE: 906800 -133.776 -20.9828 48.6589 -20.9824 12.975 -238.277 48.6586 -238.276 -70.8654 GPRESSURE: 906800 -55.8069 -57.8349 75.9416 -22.2534 52.5787 -154.404 -2.42824 -227.902 -87.7753 PRESSAVG: 906800 15.6097 42.0286 4.78061 42.0286 -2.64072 -28.7119 4.78059 -28.712 -19.6541 GPRESSAVG: 906800 15.0958 43.486 2.97221 39.7652 -1.7782 -31.491 6.60048 -26.5257 -20.0237 TIMING: 906800 CPU: 2627, 0.00289918/step Wall: 2627, 0.00289918/step, 3.29637 hours remaining, 206.046875 MB of memory in use. ENERGY: 906800 770.2087 2069.1118 1941.8043 109.5064 -206189.7149 17839.9785 0.0000 0.0000 34397.5154 -149061.5898 300.4021 -183459.1052 -148963.8398 299.9463 -63.8890 -30.3345 557057.7792 -2.2284 -2.2354 PRESSURE: 907000 -147.251 42.4991 -39.0683 42.5002 53.6015 -22.8002 -39.066 -22.7991 46.8781 GPRESSURE: 907000 -76.4846 8.69899 -42.0713 4.20741 55.7148 59.0277 6.55337 -81.0953 61.3092 PRESSAVG: 907000 25.0108 11.5081 1.18188 11.508 25.329 14.0637 1.18192 14.0638 -56.3284 GPRESSAVG: 907000 23.9852 10.104 1.59357 11.6745 24.8755 17.9594 1.56626 12.735 -55.7086 TIMING: 907000 CPU: 2627.57, 0.00288341/step Wall: 2627.57, 0.00288341/step, 3.27827 hours remaining, 206.046875 MB of memory in use. ENERGY: 907000 768.0889 2097.5251 1940.9844 125.1725 -206061.5225 17855.8024 0.0000 0.0000 34169.5249 -149104.4243 298.4110 -183273.9492 -149014.2030 299.2794 -15.5903 13.5131 558403.7468 -1.9962 -2.2826 PRESSURE: 907200 125.925 26.4593 185.963 26.4602 314.693 135.518 185.963 135.518 77.602 GPRESSURE: 907200 179.524 -12.3505 190.115 -12.7331 345.892 153.811 158.339 17.3029 78.0062 PRESSAVG: 907200 13.7752 -24.104 10.7519 -24.104 61.1622 18.1615 10.7519 18.1615 -9.19675 GPRESSAVG: 907200 13.8647 -22.206 9.79062 -23.633 62.8108 17.5818 10.3873 18.4534 -10.4725 TIMING: 907200 CPU: 2628.15, 0.00289749/step Wall: 2628.15, 0.00289749/step, 3.29412 hours remaining, 206.046875 MB of memory in use. ENERGY: 907200 756.5600 2084.3263 1975.9646 126.3097 -206267.5767 17995.9354 0.0000 0.0000 34262.2877 -149066.1930 299.2211 -183328.4807 -148972.0446 299.2164 172.7403 201.1406 556751.6638 21.9135 22.0677 PRESSURE: 907400 37.0156 -9.54056 -7.67938 -9.54089 -132.179 93.2425 -7.67831 93.2413 -311.661 GPRESSURE: 907400 24.8245 -82.2903 0.820839 94.0157 -91.0239 91.2249 -91.1735 47.2961 -247.552 PRESSAVG: 907400 -1.47752 -5.58118 -16.4627 -5.58127 30.3083 94.5725 -16.4627 94.5724 -22.3224 GPRESSAVG: 907400 -2.00348 -5.08025 -14.2052 -5.07941 29.7319 94.624 -17.5762 93.0902 -21.1901 TIMING: 907400 CPU: 2628.73, 0.00288083/step Wall: 2628.73, 0.00288083/step, 3.27502 hours remaining, 206.046875 MB of memory in use. ENERGY: 907400 772.9792 2130.0941 1930.6727 107.4089 -206198.4295 17733.7704 0.0000 0.0000 34429.5455 -149093.9587 300.6818 -183523.5042 -148995.9601 299.3214 -135.6082 -104.5838 557492.6355 2.1695 2.1794 PRESSURE: 907600 -187.28 181.546 79.4458 181.546 113.032 124.448 79.446 124.449 -42.6375 GPRESSURE: 907600 -216.547 105.708 44.6864 127.53 172.726 76.2832 143.548 124.468 15.4152 PRESSAVG: 907600 41.1979 37.7205 -15.2033 37.7205 -8.69916 40.5198 -15.2033 40.5197 -61.4763 GPRESSAVG: 907600 41.6897 36.6386 -18.0501 38.3838 -9.79608 38.9573 -11.9216 41.7654 -61.1975 TIMING: 907600 CPU: 2629.3, 0.00286781/step Wall: 2629.3, 0.00286781/step, 3.26006 hours remaining, 206.046875 MB of memory in use. ENERGY: 907600 744.8835 2113.3133 1907.9222 130.6873 -206025.3513 17587.4381 0.0000 0.0000 34227.8062 -149313.3007 298.9199 -183541.1069 -149210.5183 299.1396 -38.9617 -9.4688 556529.4490 -9.6592 -9.7679 PRESSURE: 907800 -75.8167 108.314 -16.8548 108.315 -122.791 -100.662 -16.8552 -100.661 -136.619 GPRESSURE: 907800 2.4024 105.059 -12.948 115.934 -159.751 -99.9431 18.7058 -72.444 -82.2073 PRESSAVG: 907800 -67.243 64.0681 -39.2906 64.0682 60.5957 14.9594 -39.2906 14.9595 20.1361 GPRESSAVG: 907800 -66.3935 64.3008 -37.7192 63.8998 60.7978 16.8584 -41.1047 15.1844 19.6905 TIMING: 907800 CPU: 2629.88, 0.00288597/step Wall: 2629.88, 0.00288597/step, 3.28054 hours remaining, 206.046875 MB of memory in use. ENERGY: 907800 743.8393 2126.2205 1949.0787 117.0200 -206138.9697 17636.0616 0.0000 0.0000 34294.9299 -149271.8197 299.5062 -183566.7495 -149163.2925 299.0338 -111.7425 -79.8519 557101.2826 4.4963 4.6982 PRESSURE: 908000 -270.674 3.95995 33.1677 3.96152 -85.5108 119.415 33.1674 119.416 -157.786 GPRESSURE: 908000 -205.814 62.8972 -3.81015 -7.41921 -51.0592 106.456 49.9855 73.2015 -146.825 PRESSAVG: 908000 -23.8554 -28.9073 -51.8219 -28.9073 31.622 -2.28625 -51.822 -2.28611 33.4485 GPRESSAVG: 908000 -24.3066 -29.1517 -53.5642 -30.4754 32.6351 -4.58807 -49.6805 -2.09762 32.9926 TIMING: 908000 CPU: 2630.46, 0.00291567/step Wall: 2630.46, 0.00291567/step, 3.31415 hours remaining, 206.046875 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: 908000 765.4554 2112.2773 1945.9986 124.2408 -206207.8812 17628.7599 0.0000 0.0000 34377.2640 -149253.8852 300.2252 -183631.1492 -149154.3128 299.3614 -171.3237 -134.5659 557558.5438 13.7384 13.7737 PRESSURE: 908200 4.28555 -86.4235 -49.6177 -86.4241 37.3344 6.93983 -49.6173 6.93908 249.322 GPRESSURE: 908200 6.85078 -155.673 -3.21669 -111.213 110.867 74.8086 -102.02 26.36 277.601 PRESSAVG: 908200 27.2907 19.7548 57.6529 19.7547 -13.3748 58.405 57.653 58.4051 -16.3322 GPRESSAVG: 908200 25.4788 20.3815 60.3362 20.2928 -13.8848 59.9582 57.3455 58.7459 -14.3962 TIMING: 908200 CPU: 2631.05, 0.0029189/step Wall: 2631.05, 0.0029189/step, 3.31766 hours remaining, 206.046875 MB of memory in use. ENERGY: 908200 745.4538 2145.3105 1946.2141 122.8551 -206396.1029 17973.5228 0.0000 0.0000 34138.1249 -149324.6217 298.1367 -183462.7466 -149236.5799 298.5456 96.9808 131.7732 558538.5012 -0.8054 -0.9341 LDB: ============= START OF LOAD BALANCING ============== 2634.43 LDB: ============== END OF LOAD BALANCING =============== 2634.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2634.44 LDB: ============= START OF LOAD BALANCING ============== 2634.73 LDB: Largest compute 4822 load 0.027477 is 23.3% of average load 0.117967 LDB: Average compute 0.001706 is 1.4% of average load 0.117967 LDB: TIME 2634.73 LOAD: AVG 0.117967 MAX 0.186038 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.047 MB LDB: TIME 2634.73 LOAD: AVG 0.117967 MAX 0.186038 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.047 MB LDB: TIME 2634.73 LOAD: AVG 0.117967 MAX 0.186038 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2634.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2634.74 PRESSURE: 908400 58.1929 81.6345 91.1612 81.6333 40.1364 -55.2973 91.1599 -55.2957 -165.438 GPRESSURE: 908400 68.052 58.0557 60.3284 113.126 109.152 -46.9662 103.762 -129.921 -153.295 PRESSAVG: 908400 -29.479 0.111971 1.22194 0.111926 27.5225 43.07 1.22195 43.0702 22.5238 GPRESSAVG: 908400 -27.9025 -1.22428 -0.0685791 1.62655 27.9199 41.0253 -0.315871 42.71 20.8371 TIMING: 908400 CPU: 2631.64, 0.00296934/step Wall: 2631.64, 0.00296934/step, 3.37482 hours remaining, 206.746094 MB of memory in use. ENERGY: 908400 758.5173 2120.4500 1924.4897 98.5590 -206182.1884 17805.4933 0.0000 0.0000 34095.5427 -149379.1363 297.7649 -183474.6790 -149280.9679 299.3163 -22.3696 7.9699 557573.5958 6.8558 6.9515 PRESSURE: 908600 145.521 41.8853 73.3223 41.8853 -213.129 -96.1328 73.3221 -96.1328 62.6716 GPRESSURE: 908600 198.544 -33.0647 87.8346 148.287 -210.093 -68.2551 51.838 -186.428 99.7162 PRESSAVG: 908600 60.079 28.0847 7.86232 28.0846 -16.9295 18.1175 7.86234 18.1176 -6.03399 GPRESSAVG: 908600 60.0421 29.5317 6.57852 26.8345 -16.5833 19.5997 8.42358 16.0497 -5.72398 TIMING: 908600 CPU: 2632.22, 0.00288783/step Wall: 2632.22, 0.00288783/step, 3.28202 hours remaining, 206.746094 MB of memory in use. ENERGY: 908600 737.2599 2104.1823 1935.3775 116.7089 -206373.2150 17750.3981 0.0000 0.0000 34326.8158 -149402.4724 299.7846 -183729.2882 -149302.2910 298.9838 -1.6453 29.3889 555845.0726 12.3719 12.5783 PRESSURE: 908800 -103.493 97.0625 111.712 97.0628 -3.36953 -126.615 111.711 -126.615 -136.874 GPRESSURE: 908800 -65.6782 163.273 48.6094 73.5891 3.19634 -113.13 89.8009 -93.5663 -80.3428 PRESSAVG: 908800 18.2458 42.1306 -9.57092 42.1307 -2.66612 18.7545 -9.57092 18.7545 -3.97196 GPRESSAVG: 908800 18.8749 44.4421 -6.9417 39.6468 -3.36953 18.622 -10.2588 21.4981 -3.74289 TIMING: 908800 CPU: 2632.8, 0.00289822/step Wall: 2632.8, 0.00289822/step, 3.29367 hours remaining, 206.746094 MB of memory in use. ENERGY: 908800 727.4904 2104.9337 1939.0207 114.1918 -206316.3082 17711.2696 0.0000 0.0000 34276.6071 -149442.7950 299.3461 -183719.4021 -149346.5361 299.1901 -81.2454 -47.6082 557125.9523 3.8692 3.9208 PRESSURE: 909000 110.728 -6.94559 110.529 -6.94564 -144.63 -40.7018 110.531 -40.7024 -218.432 GPRESSURE: 909000 148.419 -53.3372 35.0659 34.1116 -120.034 -61.3541 201.698 -40.4783 -185.117 PRESSAVG: 909000 24.4207 16.3168 -19.0379 16.3168 -17.6717 8.30152 -19.0379 8.30149 -23.6499 GPRESSAVG: 909000 23.608 14.6445 -19.8687 19.788 -17.1337 8.32158 -21.09 5.80357 -23.1929 TIMING: 909000 CPU: 2633.37, 0.00286476/step Wall: 2633.37, 0.00286476/step, 3.25548 hours remaining, 206.746094 MB of memory in use. ENERGY: 909000 764.3433 2083.7579 1966.4721 113.7863 -206136.3771 17713.6085 0.0000 0.0000 34256.2809 -149238.1281 299.1686 -183494.4090 -149146.1610 298.9522 -84.1112 -52.2442 557549.2608 -5.6336 -5.5729 PRESSURE: 909200 -117.738 54.5777 -7.10354 54.5777 175.994 -87.1922 -7.10344 -87.1921 19.1358 GPRESSURE: 909200 -58.8965 -37.5719 72.5677 76.83 176.852 -92.0584 68.626 -88.127 42.1209 PRESSAVG: 909200 -30.4478 -14.2513 -25.4308 -14.2514 10.2994 3.53316 -25.4308 3.53315 59.1992 GPRESSAVG: 909200 -29.0741 -17.182 -24.4562 -16.2312 10.5601 3.16883 -23.9367 6.60593 58.1435 TIMING: 909200 CPU: 2633.95, 0.00287435/step Wall: 2633.95, 0.00287435/step, 3.26622 hours remaining, 206.746094 MB of memory in use. ENERGY: 909200 752.5055 2081.3654 1934.1224 111.3478 -206570.4588 17948.5740 0.0000 0.0000 34485.5837 -149256.9601 301.1712 -183742.5437 -149161.1901 299.0434 25.7971 53.3587 556548.1179 13.0169 13.2098 PRESSURE: 909400 -84.0153 113.638 -51.7263 113.637 -115.279 -42.6336 -51.7261 -42.6337 102.798 GPRESSURE: 909400 -49.316 113.001 -133.762 142.714 -89.7917 28.5913 -71.0309 28.1406 146.724 PRESSAVG: 909400 -65.0434 0.540515 -34.4701 0.540457 52.0904 24.5057 -34.4701 24.5056 2.10984 GPRESSAVG: 909400 -66.3292 4.08069 -37.1064 1.93354 53.0296 24.7466 -33.6923 21.8324 2.86784 TIMING: 909400 CPU: 2634.52, 0.00289184/step Wall: 2634.52, 0.00289184/step, 3.28594 hours remaining, 206.746094 MB of memory in use. ENERGY: 909400 751.0044 2076.2484 1908.3023 120.5690 -206474.3576 17892.3278 0.0000 0.0000 34532.1316 -149193.7741 301.5777 -183725.9057 -149094.2363 299.3151 -32.1654 2.5387 556592.1676 -3.6144 -3.4772 PRESSURE: 909600 173.619 -83.3557 50.8369 -83.3559 186.641 17.5371 50.8368 17.5403 -66.7166 GPRESSURE: 909600 146.07 -7.8006 60.4601 -146.603 185.034 -23.2591 47.7924 74.726 69.3294 PRESSAVG: 909600 -22.8412 -21.206 25.6693 -21.2061 26.5844 44.6823 25.6692 44.6822 -6.01435 GPRESSAVG: 909600 -21.9297 -21.2233 27.4683 -22.0597 27.1097 44.622 26.4599 43.9636 -7.59114 TIMING: 909600 CPU: 2635.1, 0.00289105/step Wall: 2635.1, 0.00289105/step, 3.28488 hours remaining, 206.746094 MB of memory in use. ENERGY: 909600 728.9062 2070.7500 1958.1439 131.5955 -206362.5648 17975.8866 0.0000 0.0000 34282.9339 -149214.3487 299.4014 -183497.2826 -149118.8842 299.6127 97.8479 133.4780 557028.8104 -0.7570 -0.8037 PRESSURE: 909800 160.76 -44.3626 -211.889 -44.3634 -230.73 -36.2636 -211.89 -36.2635 112.273 GPRESSURE: 909800 139.481 -105.803 -259.571 -85.7565 -171.753 46.9461 -192.66 -40.0804 163.583 PRESSAVG: 909800 32.7594 35.1722 19.9695 35.1723 6.26855 30.358 19.9696 30.358 -7.35323 GPRESSAVG: 909800 31.1404 33.5965 20.1945 34.2402 5.66703 27.8986 17.8596 34.7139 -5.44694 TIMING: 909800 CPU: 2635.69, 0.00291646/step Wall: 2635.69, 0.00291646/step, 3.31358 hours remaining, 206.746094 MB of memory in use. ENERGY: 909800 768.3574 2080.2746 1945.3549 118.2706 -206477.2113 17996.9302 0.0000 0.0000 34205.0330 -149362.9906 298.7211 -183568.0236 -149268.7597 298.9087 14.1008 43.7704 557295.1670 10.5582 10.4535 PRESSURE: 910000 -100.745 -51.5475 -48.297 -51.5475 -47.4407 170.8 -48.2969 170.801 -153.791 GPRESSURE: 910000 -68.3471 -21.9301 -54.0184 -60.7645 -22.8839 187.947 12.8938 128.416 -119.605 PRESSAVG: 910000 38.5777 -23.3848 13.1852 -23.3848 -80.1228 -22.1928 13.1852 -22.1928 20.4443 GPRESSAVG: 910000 39.0408 -21.6593 11.4443 -23.1093 -80.1331 -20.6986 15.8579 -23.6106 19.819 TIMING: 910000 CPU: 2636.27, 0.00289553/step Wall: 2636.27, 0.00289553/step, 3.28964 hours remaining, 206.746094 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: 910000 736.1365 2106.0075 1973.0727 127.8571 -206248.4232 17706.3029 0.0000 0.0000 34168.5919 -149430.4547 298.4028 -183599.0466 -149342.3139 298.4140 -100.6591 -70.2786 557625.9403 -7.0336 -7.0911 PRESSURE: 910200 -100.577 48.8297 -48.0684 48.828 -107.698 -70.4671 -48.0671 -70.4684 -37.7387 GPRESSURE: 910200 -74.1617 102.85 -78.1764 -21.3166 -56.2818 -65.2714 7.16449 -58.2946 -14.0819 PRESSAVG: 910200 5.29633 24.048 15.4053 24.048 45.1703 -7.07573 15.4053 -7.07571 -23.7243 GPRESSAVG: 910200 5.43016 21.1851 16.7712 23.3839 45.0577 -6.20957 14.0952 -8.09842 -24.1517 TIMING: 910200 CPU: 2636.84, 0.00289133/step Wall: 2636.84, 0.00289133/step, 3.28471 hours remaining, 206.746094 MB of memory in use. ENERGY: 910200 728.8836 2050.8037 1937.5915 115.2806 -206044.8074 17549.5593 0.0000 0.0000 34372.7243 -149289.9646 300.1856 -183662.6888 -149185.5850 298.7693 -82.0048 -48.1752 557735.9207 8.9141 8.7787 PRESSURE: 910400 -88.1936 66.4394 76.224 66.4403 -247.929 -225.798 76.2239 -225.798 103.272 GPRESSURE: 910400 -40.1227 48.87 100.224 112.087 -179.006 -224.528 62.0934 -247.187 64.3713 PRESSAVG: 910400 18.2868 -20.3958 15.6834 -20.396 7.7737 -80.6032 15.6834 -80.6033 -57.7468 GPRESSAVG: 910400 18.5993 -18.3572 15.3288 -19.3553 7.97479 -81.5721 14.2047 -80.2541 -58.681 TIMING: 910400 CPU: 2637.42, 0.00289338/step Wall: 2637.42, 0.00289338/step, 3.28687 hours remaining, 207.003906 MB of memory in use. ENERGY: 910400 758.3335 2117.6664 1943.2344 129.7018 -206326.0109 17888.6904 0.0000 0.0000 34091.2718 -149397.1126 297.7276 -183488.3844 -149307.5295 298.4012 -77.6170 -51.5858 559028.4400 -10.5621 -10.7023 PRESSURE: 910600 203.959 63.0193 81.7707 63.0195 -154.651 270.98 81.7711 270.981 -45.1137 GPRESSURE: 910600 215.897 123.339 42.5232 -2.1695 -99.1014 276.998 155.513 216.521 -15.1725 PRESSAVG: 910600 -2.01588 -1.88685 33.1278 -1.88692 0.0112633 -23.1572 33.1278 -23.1573 -2.87667 GPRESSAVG: 910600 -1.84977 -4.54991 34.0632 -0.439941 -0.200647 -21.5858 35.8854 -24.8641 -2.23501 TIMING: 910600 CPU: 2638, 0.00289446/step Wall: 2638, 0.00289446/step, 3.28795 hours remaining, 207.003906 MB of memory in use. ENERGY: 910600 741.8773 2064.9489 1918.4550 118.1650 -206215.7569 17827.4347 0.0000 0.0000 34171.3354 -149373.5406 298.4268 -183544.8760 -149274.9808 297.8946 1.3982 33.8745 559480.3412 -1.6271 -1.4285 PRESSURE: 910800 -14.3609 -143.152 27.9985 -143.153 -401.801 -18.7449 27.9996 -18.7452 -214.935 GPRESSURE: 910800 43.3728 -197.494 155.779 -166.111 -383.738 32.7328 34.6368 -103.301 -201.191 PRESSAVG: 910800 -13.5153 -25.2163 43.8589 -25.2165 30.9539 1.08433 43.8589 1.08415 -43.2094 GPRESSAVG: 910800 -13.0177 -23.1479 42.2054 -25.5639 31.567 0.913516 43.8006 0.514904 -43.9354 TIMING: 910800 CPU: 2638.58, 0.00291623/step Wall: 2638.58, 0.00291623/step, 3.31251 hours remaining, 207.003906 MB of memory in use. ENERGY: 910800 727.5107 2150.8296 1919.3461 113.3831 -206047.8488 17432.9247 0.0000 0.0000 34217.1533 -149486.7012 298.8269 -183703.8545 -149387.2110 298.3391 -210.3655 -180.5189 558123.5491 -8.5903 -8.4620 PRESSURE: 911000 72.4926 -131.735 76.5937 -131.733 -56.8945 178.618 76.5939 178.619 89.2536 GPRESSURE: 911000 41.9357 -166.496 8.72611 -98.1549 -20.4526 117.732 198.12 237.916 177.242 PRESSAVG: 911000 20.6578 -29.9902 34.1627 -29.9901 31.5117 30.2384 34.1627 30.2384 -54.5302 GPRESSAVG: 911000 19.2064 -31.0552 34.3316 -28.8867 31.7868 30.1581 33.8873 30.155 -52.992 TIMING: 911000 CPU: 2639.16, 0.00289318/step Wall: 2639.16, 0.00289318/step, 3.28617 hours remaining, 207.003906 MB of memory in use. ENERGY: 911000 740.4277 2115.7442 1952.0179 111.7656 -206414.5944 17819.5118 0.0000 0.0000 34144.4000 -149530.7271 298.1915 -183675.1271 -149427.8178 298.9643 34.9505 66.2417 556161.3759 -0.7869 -0.6663 PRESSURE: 911200 -54.4806 58.0091 77.139 58.0091 53.6853 -191.332 77.1385 -191.333 233.412 GPRESSURE: 911200 -40.0062 37.0066 190.893 54.0578 81.7246 -204.202 58.0005 -233.29 294.31 PRESSAVG: 911200 -34.7122 22.3384 -5.52697 22.3385 17.6796 -0.384148 -5.52718 -0.384282 30.3285 GPRESSAVG: 911200 -32.7584 23.7333 -4.09376 19.7842 16.404 -0.66031 -7.25495 0.809296 29.8963 TIMING: 911200 CPU: 2639.74, 0.00290098/step Wall: 2639.74, 0.00290098/step, 3.29487 hours remaining, 207.003906 MB of memory in use. ENERGY: 911200 744.6771 2079.6487 1933.3650 122.3286 -206498.4098 18023.4337 0.0000 0.0000 34057.7042 -149537.2525 297.4344 -183594.9567 -149441.2341 298.2988 77.5388 112.0094 557158.0554 4.4320 4.5139 PRESSURE: 911400 -138.204 128.994 -25.5449 128.994 -43.2928 -84.2392 -25.5441 -84.2391 -162.543 GPRESSURE: 911400 -107.286 175.82 -50.2424 166.987 -5.22151 -123.428 29.1542 -117.5 -126.537 PRESSAVG: 911400 31.5317 -1.90935 -4.62012 -1.90934 -19.4166 -0.176446 -4.62018 -0.176545 25.0239 GPRESSAVG: 911400 30.2852 -2.35324 -4.36955 -0.0393993 -17.6946 -0.941036 -3.56845 1.24886 24.1936 TIMING: 911400 CPU: 2640.32, 0.00289507/step Wall: 2640.32, 0.00289507/step, 3.28799 hours remaining, 207.003906 MB of memory in use. ENERGY: 911400 744.6698 2101.4714 1930.6629 134.5412 -206287.9375 17811.4509 0.0000 0.0000 34239.1115 -149326.0299 299.0187 -183565.1415 -149230.9627 298.2211 -114.6798 -79.6816 557619.0635 12.3796 12.2614 PRESSURE: 911600 -11.1573 -40.2919 206.375 -40.2923 268.847 130.164 206.374 130.166 -137.169 GPRESSURE: 911600 13.6717 12.0867 193.636 -37.9798 274.789 119.238 207.492 130.991 -62.9465 PRESSAVG: 911600 75.3889 49.5253 -25.9383 49.5253 -25.0832 31.4967 -25.9383 31.4966 12.1086 GPRESSAVG: 911600 75.4476 48.1972 -26.8066 50.6763 -26.8807 31.6389 -25.1963 31.4658 12.4855 TIMING: 911600 CPU: 2640.9, 0.00288781/step Wall: 2640.9, 0.00288781/step, 3.27959 hours remaining, 207.003906 MB of memory in use. ENERGY: 911600 748.8827 2111.3796 1932.1618 111.1937 -206493.0058 18041.4953 0.0000 0.0000 34289.6430 -149258.2498 299.4600 -183547.8928 -149166.6719 299.0693 40.1734 75.1714 556926.7983 20.8048 20.3508 PRESSURE: 911800 -277.759 -16.676 48.7583 -16.6766 -135.201 22.0467 48.7578 22.0465 -85.5927 GPRESSURE: 911800 -227.774 -14.3624 48.1382 -30.4395 -141.39 -26.7729 -23.031 -43.854 -40.0754 PRESSAVG: 911800 -66.7234 7.635 33.2579 7.63496 44.2681 11.2441 33.258 11.2441 11.3087 GPRESSAVG: 911800 -66.9549 8.98171 33.9935 5.45873 44.7191 9.95416 32.4512 10.1925 11.0185 TIMING: 911800 CPU: 2641.48, 0.00289764/step Wall: 2641.48, 0.00289764/step, 3.29059 hours remaining, 207.003906 MB of memory in use. ENERGY: 911800 736.2077 2050.7954 1928.7371 119.1644 -205818.8678 17436.3929 0.0000 0.0000 34254.5843 -149292.9860 299.1538 -183547.5703 -149198.5062 298.7180 -166.1841 -136.4132 558565.4479 -3.7155 -3.7391 PRESSURE: 912000 -40.0592 22.8351 -159.092 22.8334 246.447 112.553 -159.094 112.554 -132.43 GPRESSURE: 912000 -29.667 -18.2219 -174.725 29.8995 286.834 72.6634 -107.491 176.413 -88.1728 PRESSAVG: 912000 3.69057 -0.513633 -1.50095 -0.51367 0.869246 23.97 -1.50089 23.9699 15.2618 GPRESSAVG: 912000 3.74598 -1.63614 -2.11769 0.0234526 1.50301 25.5974 -1.00451 23.7723 14.9048 TIMING: 912000 CPU: 2642.06, 0.00289884/step Wall: 2642.06, 0.00289884/step, 3.29179 hours remaining, 207.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 912000 742.0902 2119.9694 1929.8554 116.5974 -206127.6575 17757.1916 0.0000 0.0000 34092.9211 -149369.0324 297.7420 -183461.9535 -149269.4091 298.5260 24.6526 56.3314 556663.5341 6.6072 6.7179 PRESSURE: 912200 -172.92 132.665 95.7893 132.666 162.811 76.2297 95.7877 76.2293 -16.6284 GPRESSURE: 912200 -123.625 224.794 29.3376 139.871 189.014 140.595 105.912 -24.523 3.39409 PRESSAVG: 912200 13.3925 -57.7732 -9.03011 -57.7732 41.4587 -16.9333 -9.0302 -16.9333 -7.73379 GPRESSAVG: 912200 14.161 -57.5981 -5.30567 -55.8687 40.0368 -18.1935 -11.3811 -15.7078 -7.60979 TIMING: 912200 CPU: 2642.64, 0.00292261/step Wall: 2642.64, 0.00292261/step, 3.31862 hours remaining, 207.003906 MB of memory in use. ENERGY: 912200 739.3355 2098.8042 1942.3793 109.5297 -206350.0155 17963.0230 0.0000 0.0000 34057.7420 -149439.2019 297.4347 -183496.9439 -149347.8663 298.4278 -8.9126 22.9278 559682.0916 15.7058 15.5293 LDB: ============= START OF LOAD BALANCING ============== 2646.03 LDB: ============== END OF LOAD BALANCING =============== 2646.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2646.03 LDB: ============= START OF LOAD BALANCING ============== 2646.32 LDB: Largest compute 4822 load 0.027303 is 23.2% of average load 0.117911 LDB: Average compute 0.001718 is 1.5% of average load 0.117911 LDB: TIME 2646.33 LOAD: AVG 0.117911 MAX 0.18523 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.305 MB LDB: TIME 2646.33 LOAD: AVG 0.117911 MAX 0.18523 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.336 MB LDB: TIME 2646.33 LOAD: AVG 0.117911 MAX 0.18523 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2646.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2646.33 PRESSURE: 912400 137.613 -12.9473 71.8255 -12.947 -168.811 58.5866 71.8263 58.5872 20.1559 GPRESSURE: 912400 173.452 31.5623 156.577 -26.3865 -156.36 119.328 32.8656 -48.9259 65.5479 PRESSAVG: 912400 -20.3556 -1.32882 20.9924 -1.32887 13.8012 30.562 20.9924 30.5619 -13.2958 GPRESSAVG: 912400 -21.6196 -1.3352 19.4398 -5.06722 15.8554 30.8776 22.1076 30.1429 -13.1547 TIMING: 912400 CPU: 2643.24, 0.00296422/step Wall: 2643.24, 0.00296422/step, 3.3657 hours remaining, 206.558594 MB of memory in use. ENERGY: 912400 730.7342 2086.7574 1952.7266 111.9903 -206091.2792 17769.7831 0.0000 0.0000 34270.2459 -149169.0416 299.2906 -183439.2875 -149070.4575 298.1629 -3.6809 27.5468 559320.9624 -6.6168 -6.3063 PRESSURE: 912600 -207.628 -89.0121 -93.7452 -89.0122 68.677 24.7665 -93.746 24.7644 -144.62 GPRESSURE: 912600 -168.687 -179.78 -143.165 -60.8479 66.9819 43.9758 -110.307 46.3729 -90.5126 PRESSAVG: 912600 -6.0313 26.9333 -15.6653 26.9332 47.3952 4.36329 -15.6652 4.36322 -29.091 GPRESSAVG: 912600 -4.86911 26.6832 -17.089 28.8421 45.1992 5.1454 -14.0045 4.58154 -28.2201 TIMING: 912600 CPU: 2643.82, 0.00292037/step Wall: 2643.82, 0.00292037/step, 3.31575 hours remaining, 207.019531 MB of memory in use. ENERGY: 912600 751.6920 2104.7514 1945.3773 122.9135 -205993.6989 17598.2044 0.0000 0.0000 34228.1867 -149242.5735 298.9233 -183470.7602 -149146.3143 298.8169 -94.5236 -64.0724 558199.4996 4.0910 4.0366 PRESSURE: 912800 27.3799 26.2276 80.8791 26.2279 -153.781 -5.55433 80.8802 -5.55416 -127.755 GPRESSURE: 912800 86.55 20.5648 59.9229 21.6749 -134.132 36.8226 57.4727 13.8165 -108.134 PRESSAVG: 912800 -59.7723 6.12185 -66.3505 6.12195 20.623 20.7052 -66.3505 20.7052 17.3604 GPRESSAVG: 912800 -59.8632 4.65705 -65.5218 7.24632 21.1116 20.1818 -66.8326 20.4906 16.8858 TIMING: 912800 CPU: 2644.4, 0.00290311/step Wall: 2644.4, 0.00290311/step, 3.29599 hours remaining, 207.019531 MB of memory in use. ENERGY: 912800 776.1146 2081.7231 1943.8129 117.0339 -206236.0435 17720.6076 0.0000 0.0000 34268.2214 -149328.5299 299.2729 -183596.7513 -149229.7571 299.2913 -84.7188 -51.9054 557176.6654 -7.2629 -7.2886 PRESSURE: 913000 -49.4843 51.8563 93.2659 51.8569 189.005 33.5227 93.2661 33.5221 -382.281 GPRESSURE: 913000 44.053 41.212 42.4144 62.667 159.32 87.8059 128.776 -65.6959 -345.655 PRESSAVG: 913000 -27.0104 -38.3602 -17.3409 -38.3601 19.5044 15.424 -17.3408 15.4242 9.36007 GPRESSAVG: 913000 -26.4665 -38.1916 -19.635 -39.8374 20.114 15.9479 -18.3243 14.3565 8.57909 TIMING: 913000 CPU: 2644.98, 0.00291471/step Wall: 2644.98, 0.00291471/step, 3.309 hours remaining, 207.085938 MB of memory in use. ENERGY: 913000 740.9365 2051.6165 1952.2400 117.2696 -206206.7476 17757.5003 0.0000 0.0000 34339.0120 -149248.1727 299.8911 -183587.1847 -149144.8988 299.0240 -80.9198 -47.4274 557954.6186 0.6180 0.7422 PRESSURE: 913200 -28.5387 82.5015 -80.8427 82.502 140.14 27.6468 -80.8429 27.6469 14.7477 GPRESSURE: 913200 23.2183 87.8762 -45.9316 111.658 125.736 34.8007 -104.891 -1.25457 74.1212 PRESSAVG: 913200 0.0267298 58.1078 -36.1893 58.1076 7.29464 14.8114 -36.1894 14.8114 -3.33649 GPRESSAVG: 913200 0.549609 60.2469 -34.3717 57.6456 5.29053 14.1326 -34.9803 16.3102 -1.91577 TIMING: 913200 CPU: 2645.56, 0.00288096/step Wall: 2645.56, 0.00288096/step, 3.27053 hours remaining, 207.085938 MB of memory in use. ENERGY: 913200 764.2558 2164.9785 1955.3055 107.3975 -206136.4614 17794.3182 0.0000 0.0000 34361.3963 -148988.8096 300.0866 -183350.2059 -148898.8324 299.5645 42.1164 74.3584 557680.6481 1.3283 1.3081 PRESSURE: 913400 -89.3848 -1.58547 -294.29 -1.58606 252.738 -201.747 -294.29 -201.749 -13.5432 GPRESSURE: 913400 -77.0343 -36.0238 -240.577 -5.63043 331.043 -135.306 -291.133 -200.133 -15.9804 PRESSAVG: 913400 -33.1692 -11.5748 -54.2716 -11.5747 45.6157 -1.2049 -54.2716 -1.20487 -6.36485 GPRESSAVG: 913400 -33.1256 -13.4801 -54.6362 -11.3012 46.2253 -0.191885 -54.8654 -1.88068 -7.23647 TIMING: 913400 CPU: 2646.13, 0.00286682/step Wall: 2646.13, 0.00286681/step, 3.25431 hours remaining, 207.085938 MB of memory in use. ENERGY: 913400 771.4788 2129.4534 1932.6357 115.5888 -206192.8415 17925.6820 0.0000 0.0000 34289.7132 -149028.2896 299.4606 -183318.0028 -148937.7480 300.1107 49.9368 79.3427 556517.7384 2.0272 1.9544 PRESSURE: 913600 -530.53 33.3809 57.0227 33.383 -148.191 247.095 57.0221 247.096 -152.593 GPRESSURE: 913600 -419.74 87.2388 37.6628 47.7293 -161.295 223.25 122.019 241.668 -158.464 PRESSAVG: 913600 52.9546 22.0152 -24.9336 22.0152 19.9187 -5.49893 -24.9336 -5.49889 -32.0661 GPRESSAVG: 913600 52.6765 22.0004 -25.3388 20.3049 19.0334 -5.98984 -24.7775 -5.57196 -31.3759 TIMING: 913600 CPU: 2646.71, 0.00287641/step Wall: 2646.71, 0.00287641/step, 3.26505 hours remaining, 207.085938 MB of memory in use. ENERGY: 913600 752.3026 2145.9379 1947.4615 128.1068 -205540.6014 17291.3426 0.0000 0.0000 34349.4788 -148925.9712 299.9825 -183275.4500 -148823.8234 300.5094 -277.1045 -246.4997 558713.5909 13.6024 13.4447 PRESSURE: 913800 -75.3607 3.05977 69.1041 3.05898 -65.2634 -39.9993 69.1049 -39.9985 278.325 GPRESSURE: 913800 -37.104 3.62914 47.4961 -12.5002 -51.3358 5.67751 37.6443 -58.3917 323.396 PRESSAVG: 913800 -7.05034 -44.5557 -8.30032 -44.5557 -17.2921 9.77336 -8.30033 9.77336 13.9247 GPRESSAVG: 913800 -7.72727 -44.2322 -7.94825 -44.3631 -16.4583 7.7476 -8.82857 10.8232 13.9732 TIMING: 913800 CPU: 2647.29, 0.00289453/step Wall: 2647.29, 0.00289453/step, 3.28545 hours remaining, 207.085938 MB of memory in use. ENERGY: 913800 771.2232 2095.5653 1936.5938 117.5035 -206329.0148 17948.9482 0.0000 0.0000 34410.2136 -149048.9671 300.5130 -183459.1807 -148954.9341 300.4689 45.9003 78.3188 557293.3811 -3.4726 -3.4041 PRESSURE: 914000 -88.2297 41.0559 65.2502 41.0556 -79.5649 138.81 65.2506 138.808 20.4811 GPRESSURE: 914000 -91.8355 29.417 145.954 -3.14568 -37.6777 26.2628 25.9038 256.742 88.7021 PRESSAVG: 914000 1.20371 42.9779 -32.1933 42.9779 -29.9281 37.3701 -32.1932 37.3701 0.799127 GPRESSAVG: 914000 0.852001 41.0435 -31.6316 45.8545 -30.1317 39.3363 -31.2879 36.453 1.55096 TIMING: 914000 CPU: 2647.86, 0.00284775/step Wall: 2647.86, 0.00284775/step, 3.2322 hours remaining, 207.085938 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: 914000 761.6717 2092.2439 1932.1984 112.0089 -206140.3332 17785.5758 0.0000 0.0000 34324.4471 -149132.1873 299.7639 -183456.6344 -149032.9517 300.2360 -49.1045 -13.6037 557726.4049 -9.3084 -9.2429 PRESSURE: 914200 375.371 -7.10748 175.66 -7.10807 81.1627 65.9792 175.659 65.9804 288.688 GPRESSURE: 914200 406.742 -102.481 188.199 38.4691 105.35 67.2662 131.014 61.431 332.006 PRESSAVG: 914200 64.9876 29.5 19.5274 29.5 4.00858 -23.1483 19.5275 -23.1483 -49.913 GPRESSAVG: 914200 66.7176 29.1418 19.907 29.5136 3.21501 -23.2146 18.4616 -22.8588 -50.7865 TIMING: 914200 CPU: 2648.43, 0.00288004/step Wall: 2648.43, 0.00288004/step, 3.26868 hours remaining, 207.085938 MB of memory in use. ENERGY: 914200 775.0901 2087.4871 1955.5468 98.7546 -206443.3170 18117.4631 0.0000 0.0000 34161.2835 -149247.6919 298.3390 -183408.9754 -149154.4539 299.4846 248.4073 281.3659 555187.7503 6.3611 6.3820 PRESSURE: 914400 -119.783 -11.3328 114.087 -11.3336 -424.502 -71.7849 114.087 -71.7837 210.714 GPRESSURE: 914400 -66.9807 44.5709 96.8369 -34.8477 -364.832 -31.6551 94.8741 -148.881 190.56 PRESSAVG: 914400 40.5651 1.27059 67.0229 1.27067 -37.4215 -14.3846 67.023 -14.3846 73.5823 GPRESSAVG: 914400 39.0629 2.91048 65.8621 -1.35592 -36.2373 -13.1906 68.5476 -15.1214 73.784 TIMING: 914400 CPU: 2649.01, 0.00289484/step Wall: 2649.01, 0.00289484/step, 3.28532 hours remaining, 207.085938 MB of memory in use. ENERGY: 914400 749.6575 2095.3317 1990.5835 120.7144 -205709.0442 17545.2372 0.0000 0.0000 34113.3283 -149094.1917 297.9202 -183207.5200 -149005.9868 299.8889 -111.1906 -80.4175 557285.1924 25.5753 25.5365 PRESSURE: 914600 -38.5575 -8.31332 -96.5711 -8.31262 -1.28106 1.83556 -96.5717 1.83685 95.2876 GPRESSURE: 914600 -1.93451 -63.4945 -74.7142 -4.0529 40.5099 14.2485 -102.992 -54.4268 109.042 PRESSAVG: 914600 15.6413 -20.7542 17.1378 -20.7542 -67.9693 -47.3119 17.1378 -47.3119 85.7919 GPRESSAVG: 914600 16.3204 -22.1939 16.7113 -20.0132 -67.6347 -48.0441 16.6869 -46.7606 84.4125 TIMING: 914600 CPU: 2649.59, 0.00290858/step Wall: 2649.59, 0.00290858/step, 3.30075 hours remaining, 207.085938 MB of memory in use. ENERGY: 914600 777.2584 2115.1463 1968.3555 123.1562 -205933.1101 17768.7319 0.0000 0.0000 34210.5399 -148969.9218 298.7692 -183180.4617 -148869.8344 300.0399 18.4830 49.2056 556174.1098 11.1546 11.0328 PRESSURE: 914800 40.0945 94.6539 -98.3461 94.6549 183.873 122.135 -98.3461 122.135 -90.4343 GPRESSURE: 914800 108.369 131.359 -140.655 78.111 144.332 143.112 -78.2624 58.4968 -18.1015 PRESSAVG: 914800 -13.645 -30.6352 10.4306 -30.6352 -16.7877 -25.2833 10.4306 -25.2833 15.5828 GPRESSAVG: 914800 -15.0438 -26.8007 11.0168 -31.2628 -16.6823 -26.3153 10.5215 -22.9873 16.7129 TIMING: 914800 CPU: 2650.18, 0.00290803/step Wall: 2650.18, 0.00290803/step, 3.29997 hours remaining, 207.085938 MB of memory in use. ENERGY: 914800 710.8914 2142.6919 1957.6742 114.2062 -205907.5426 17752.7878 0.0000 0.0000 34056.4699 -149172.8213 297.4236 -183229.2912 -149077.3357 299.2405 44.5111 78.1999 557944.7321 -4.9500 -5.0044 PRESSURE: 915000 -72.7747 -62.9432 13.4625 -62.943 8.23883 -155.353 13.4613 -155.353 74.2477 GPRESSURE: 915000 -37.876 -0.299698 -6.89756 -74.4845 15.9829 -115.232 49.805 -95.2063 131.278 PRESSAVG: 915000 33.3683 56.2102 11.4803 56.2102 -29.1884 -28.7198 11.4803 -28.7199 10.5239 GPRESSAVG: 915000 33.8284 53.9082 9.55404 57.7002 -29.7828 -29.2764 12.0298 -29.6151 10.5185 TIMING: 915000 CPU: 2650.75, 0.00289684/step Wall: 2650.75, 0.00289684/step, 3.28711 hours remaining, 207.085938 MB of memory in use. ENERGY: 915000 746.7510 2106.8510 1966.7469 121.1134 -206404.7658 17823.6890 0.0000 0.0000 34486.6041 -149153.0104 301.1801 -183639.6145 -149052.5129 299.7038 3.2373 36.4615 556557.7596 4.9013 4.8547 PRESSURE: 915200 279.767 -71.7342 137.374 -71.7336 95.3104 -29.3173 137.374 -29.3172 25.2113 GPRESSURE: 915200 323.983 -117.91 98.7471 -20.6293 93.108 -77.2935 172.414 -11.0141 80.4717 PRESSAVG: 915200 -9.4867 15.4419 13.0352 15.442 -15.552 -39.2509 13.0352 -39.2508 40.5732 GPRESSAVG: 915200 -8.85161 16.7367 14.016 14.9714 -16.8643 -36.9685 14.439 -40.476 40.9099 TIMING: 915200 CPU: 2651.34, 0.00290578/step Wall: 2651.34, 0.00290578/step, 3.2971 hours remaining, 207.085938 MB of memory in use. ENERGY: 915200 756.4512 2076.6066 1940.6480 130.8458 -206316.3000 17995.9876 0.0000 0.0000 34312.2653 -149103.4954 299.6575 -183415.7607 -149004.0003 299.6069 133.4296 165.8541 557663.9382 5.1782 5.0646 PRESSURE: 915400 92.2984 -34.2239 8.13997 -34.2239 236.817 96.3285 8.14042 96.3282 -48.4975 GPRESSURE: 915400 91.1519 -63.2816 9.20303 -44.5332 279.345 109.316 108.565 52.2791 1.15587 PRESSAVG: 915400 -24.8714 -5.58384 55.3021 -5.58386 -20.7356 -30.8942 55.3021 -30.8942 -26.3997 GPRESSAVG: 915400 -26.3368 -6.31486 53.9678 -5.75284 -18.5994 -31.1248 54.4051 -31.0912 -27.1753 TIMING: 915400 CPU: 2651.92, 0.00291357/step Wall: 2651.92, 0.00291357/step, 3.30577 hours remaining, 207.085938 MB of memory in use. ENERGY: 915400 748.5275 2123.0823 1953.6528 129.2078 -206110.3200 17852.1905 0.0000 0.0000 34245.5241 -149058.1350 299.0747 -183303.6592 -148954.8916 299.3613 93.5395 123.8842 558181.5283 -24.0022 -24.0372 PRESSURE: 915600 65.9135 60.0955 61.2442 60.095 -64.9744 -48.4018 61.2429 -48.4006 117.163 GPRESSURE: 915600 92.0571 109.081 19.0419 66.6514 -10.4539 -6.07112 31.3899 -21.9223 145.16 PRESSAVG: 915600 -17.634 -7.19922 29.1085 -7.19921 -23.4246 6.5135 29.1085 6.51333 30.3941 GPRESSAVG: 915600 -16.7163 -5.71924 31.7957 -6.99553 -24.8022 6.5294 27.3897 6.64158 31.2745 TIMING: 915600 CPU: 2652.5, 0.00290965/step Wall: 2652.5, 0.00290965/step, 3.30116 hours remaining, 207.085938 MB of memory in use. ENERGY: 915600 782.6472 2071.4367 1957.2207 112.2053 -206183.4349 17883.1425 0.0000 0.0000 34194.0854 -149182.6971 298.6255 -183376.7825 -149090.0522 298.9459 39.3675 75.5877 557605.1097 -3.5548 -3.4147 PRESSURE: 915800 -295.517 11.5415 5.86376 11.54 -77.7332 -78.5409 5.86439 -78.5402 47.981 GPRESSURE: 915800 -222.221 16.8415 -11.7089 2.00652 -82.5682 -68.7463 52.0711 -87.7371 87.9594 PRESSAVG: 915800 -8.3568 -22.7076 -39.935 -22.7076 30.352 42.3665 -39.9349 42.3666 -72.3775 GPRESSAVG: 915800 -7.91964 -22.9915 -42.4451 -23.1927 30.3663 40.8585 -39.0974 44.3964 -72.9518 TIMING: 915800 CPU: 2653.08, 0.00291963/step Wall: 2653.08, 0.00291963/step, 3.31232 hours remaining, 207.085938 MB of memory in use. ENERGY: 915800 745.8741 2117.1931 1930.9786 121.7670 -206062.2446 17641.9933 0.0000 0.0000 34223.5676 -149280.8708 298.8829 -183504.4384 -149185.6865 298.6539 -108.4230 -72.2767 557241.4990 -16.7941 -16.8350 PRESSURE: 916000 -447.379 -29.8417 5.40233 -29.8418 -376.55 -121.192 5.40285 -121.193 -77.9025 GPRESSURE: 916000 -400.585 26.9744 -50.4908 -44.1069 -355.11 -181.318 32.2657 -129.968 -53.8102 PRESSAVG: 916000 -20.0753 16.1538 -22.3716 16.1538 43.5879 -65.8126 -22.3716 -65.8127 6.99845 GPRESSAVG: 916000 -21.8723 16.8233 -20.3515 16.6586 43.8886 -64.9169 -20.987 -66.1645 8.00064 TIMING: 916000 CPU: 2653.67, 0.0029043/step Wall: 2653.67, 0.0029043/step, 3.29476 hours remaining, 207.085938 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: 916000 786.1836 2067.8051 1945.0462 137.3090 -205767.0152 17369.4549 0.0000 0.0000 34254.1503 -149207.0662 299.1500 -183461.2165 -149109.4428 299.0655 -300.6105 -269.8352 557445.6670 10.1704 10.0057 PRESSURE: 916200 68.5342 -89.4547 -12.9108 -89.4536 24.0681 -168.887 -12.9121 -168.887 172.82 GPRESSURE: 916200 101.007 -6.44972 34.2978 -114.3 67.7528 -121.655 -52.8354 -130.843 192.44 PRESSAVG: 916200 12.2458 -0.979373 -6.4601 -0.979395 45.3683 -42.8426 -6.46013 -42.8427 -9.34672 GPRESSAVG: 916200 14.0949 -1.96778 -6.77247 -1.51445 46.1047 -42.6086 -7.84432 -43.9473 -11.8359 TIMING: 916200 CPU: 2654.24, 0.00289509/step Wall: 2654.24, 0.00289508/step, 3.28415 hours remaining, 207.085938 MB of memory in use. ENERGY: 916200 737.4727 2090.1704 1943.9447 109.4402 -206546.8874 17984.6338 0.0000 0.0000 34384.6441 -149296.5814 300.2896 -183681.2255 -149200.4024 299.0703 88.4740 120.4001 557758.8866 16.0891 16.1213 LDB: ============= START OF LOAD BALANCING ============== 2657.63 LDB: ============== END OF LOAD BALANCING =============== 2657.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2657.63 LDB: ============= START OF LOAD BALANCING ============== 2657.92 LDB: Largest compute 4822 load 0.028091 is 23.8% of average load 0.117976 LDB: Average compute 0.001710 is 1.4% of average load 0.117976 LDB: TIME 2657.93 LOAD: AVG 0.117976 MAX 0.188187 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.777 MB LDB: TIME 2657.93 LOAD: AVG 0.117976 MAX 0.188187 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.98 MB LDB: TIME 2657.93 LOAD: AVG 0.117976 MAX 0.188187 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.98 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2657.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2657.93 PRESSURE: 916400 132.04 -69.6544 -205.724 -69.6543 -0.628294 27.1809 -205.724 27.1805 -43.0867 GPRESSURE: 916400 152.586 31.187 -72.8947 -54.8928 60.3934 102.678 -280.147 -47.8635 -25.2039 PRESSAVG: 916400 -25.1674 24.3302 -34.151 24.3302 21.1052 -34.9618 -34.151 -34.9618 35.0152 GPRESSAVG: 916400 -25.7266 22.66 -34.8856 26.5079 21.2325 -34.4132 -33.8405 -36.2133 35.6214 TIMING: 916400 CPU: 2654.84, 0.00296823/step Wall: 2654.84, 0.00296823/step, 3.36696 hours remaining, 206.648438 MB of memory in use. ENERGY: 916400 800.4173 2084.5596 1928.9946 121.9315 -206598.1693 18123.1458 0.0000 0.0000 34228.0479 -149311.0725 298.9221 -183539.1204 -149204.6929 299.0856 29.4416 62.5919 558817.3654 10.3176 10.3758 PRESSURE: 916600 -53.035 51.6436 8.5731 51.6415 68.2975 13.7813 8.57371 13.7821 29.505 GPRESSURE: 916600 -30.3715 93.6683 53.8158 14.3097 84.0568 -6.93699 0.432891 38.9953 96.9697 PRESSAVG: 916600 -65.4518 -53.5607 -68.2191 -53.5607 -2.0514 -9.11698 -68.2192 -9.11703 28.3929 GPRESSAVG: 916600 -66.3679 -52.4406 -67.3064 -54.1428 -1.54984 -8.98131 -68.2153 -8.22438 28.4162 TIMING: 916600 CPU: 2655.42, 0.00290852/step Wall: 2655.42, 0.00290852/step, 3.29907 hours remaining, 206.648438 MB of memory in use. ENERGY: 916600 759.8007 2109.8994 1905.0681 105.3594 -206409.0298 17942.6863 0.0000 0.0000 34175.0098 -149411.2061 298.4589 -183586.2159 -149310.8126 298.4514 14.9225 50.2183 558456.0777 -13.0368 -13.1672 PRESSURE: 916800 315.457 157.547 -151.537 157.547 11.1894 44.88 -151.535 44.8799 63.7461 GPRESSURE: 916800 321.797 121.517 -168.948 195.627 76.1563 79.6027 -115.864 33.8312 85.5609 PRESSAVG: 916800 10.355 -0.541462 -19.654 -0.541437 15.2113 2.67811 -19.654 2.67805 -41.2532 GPRESSAVG: 916800 11.785 -0.0737516 -18.7004 -0.810441 14.857 2.86985 -20.6641 2.23422 -42.1286 TIMING: 916800 CPU: 2656, 0.00291472/step Wall: 2656, 0.00291472/step, 3.30594 hours remaining, 206.648438 MB of memory in use. ENERGY: 916800 740.8121 2230.9131 1911.0856 114.8681 -206612.9406 18115.8575 0.0000 0.0000 34273.7081 -149225.6960 299.3208 -183499.4041 -149137.5195 298.7415 130.1307 161.1714 557117.7376 -5.2290 -5.1622 PRESSURE: 917000 13.8673 199.384 -8.12931 199.387 -181.344 -131.787 -8.13057 -131.789 324.318 GPRESSURE: 917000 111.939 211.32 6.54846 276.156 -161.824 -85.3506 -52.8615 -146.674 316.308 PRESSAVG: 917000 -66.1868 -5.41161 -13.5912 -5.41147 52.6177 14.2681 -13.5913 14.2681 -31.227 GPRESSAVG: 917000 -66.2666 -5.33617 -15.7864 -6.35543 52.2048 13.5035 -11.9543 16.0707 -30.0246 TIMING: 917000 CPU: 2656.59, 0.00291787/step Wall: 2656.59, 0.00291787/step, 3.30935 hours remaining, 206.648438 MB of memory in use. ENERGY: 917000 753.0912 2108.9411 1937.7756 102.5681 -206527.9052 18136.9491 0.0000 0.0000 34264.3812 -149224.1988 299.2394 -183488.5801 -149123.1272 299.1380 52.2803 88.8075 557628.6653 -14.9320 -14.6955 PRESSURE: 917200 -171.1 127.499 97.3129 127.498 221.102 -160.355 97.3136 -160.354 266.683 GPRESSURE: 917200 -142.915 147.676 55.3603 43.9941 268.701 -178.818 121.149 -127.076 287.008 PRESSAVG: 917200 -81.7676 -29.7735 14.768 -29.7736 42.6135 -36.1588 14.768 -36.1588 37.3403 GPRESSAVG: 917200 -81.8369 -31.7048 16.4305 -28.8076 43.7992 -34.4434 15.3219 -37.0834 36.7219 TIMING: 917200 CPU: 2657.17, 0.00291648/step Wall: 2657.17, 0.00291648/step, 3.30761 hours remaining, 206.648438 MB of memory in use. ENERGY: 917200 770.5371 2110.5425 1930.0673 112.9743 -206364.9232 17906.3919 0.0000 0.0000 34200.7780 -149333.6321 298.6839 -183534.4102 -149236.8577 298.6974 105.5617 137.5976 557013.1289 -0.6046 -0.4386 PRESSURE: 917400 1.86456 39.8228 111.387 39.8221 -141.334 22.3416 111.386 22.3407 -108.42 GPRESSURE: 917400 15.4315 2.18281 132.427 49.5441 -127.577 -1.40343 93.0723 74.9755 -43.4334 PRESSAVG: 917400 -62.7646 -45.3049 44.5654 -45.305 58.742 -82.56 44.5653 -82.56 -5.25408 GPRESSAVG: 917400 -62.7502 -43.8564 45.0912 -45.6922 58.2956 -81.5124 40.8265 -83.8124 -5.19767 TIMING: 917400 CPU: 2657.75, 0.00288287/step Wall: 2657.75, 0.00288287/step, 3.26933 hours remaining, 206.648438 MB of memory in use. ENERGY: 917400 780.7300 2124.6959 1923.3761 133.1572 -206196.8227 17758.9540 0.0000 0.0000 34207.9096 -149267.9998 298.7462 -183475.9094 -149164.5812 298.7045 -82.6298 -51.8595 557012.0148 -3.0922 -3.2174 PRESSURE: 917600 -187.138 -95.5001 6.60929 -95.4991 -387.729 -174.571 6.60792 -174.568 -97.3579 GPRESSURE: 917600 -193.964 -192.685 -16.5757 -41.2791 -297.489 -232.834 -2.19353 -64.0194 -81.9612 PRESSAVG: 917600 11.5185 -31.5849 -65.7728 -31.585 -32.7911 4.79316 -65.7728 4.79331 -7.97471 GPRESSAVG: 917600 10.9633 -31.7599 -66.302 -32.2955 -32.5744 1.83796 -65.1284 7.08808 -7.46771 TIMING: 917600 CPU: 2658.32, 0.0028884/step Wall: 2658.32, 0.0028884/step, 3.27544 hours remaining, 206.648438 MB of memory in use. ENERGY: 917600 751.2830 2090.7792 1934.9122 116.8382 -206173.4938 17807.4149 0.0000 0.0000 34119.4748 -149352.7914 297.9739 -183472.2662 -149257.7636 298.7310 -224.0751 -191.1382 559701.1352 -9.7491 -9.6929 PRESSURE: 917800 -71.3798 -86.0352 214.903 -86.033 53.7513 48.0701 214.902 48.0706 185.138 GPRESSURE: 917800 2.05789 -119.85 235.543 13.4355 89.2276 2.95055 282.381 102.815 169.053 PRESSAVG: 917800 39.8211 -10.6011 -33.2151 -10.6011 -3.25273 21.1163 -33.2151 21.1163 -43.6841 GPRESSAVG: 917800 40.4406 -10.8976 -32.8936 -10.4797 -3.55311 21.1232 -31.1528 21.5881 -44.6039 TIMING: 917800 CPU: 2658.9, 0.00289034/step Wall: 2658.9, 0.00289034/step, 3.27748 hours remaining, 206.648438 MB of memory in use. ENERGY: 917800 763.0693 2087.8032 1959.6150 104.6208 -206639.3978 18116.9234 0.0000 0.0000 34354.9930 -149252.3731 300.0307 -183607.3660 -149155.3234 298.6317 55.8365 86.7795 557496.3280 -2.3719 -2.5721 PRESSURE: 918000 -163.103 85.6031 180.321 85.604 -252.565 -112.494 180.322 -112.494 -242.565 GPRESSURE: 918000 -144.093 94.4573 59.1288 46.925 -193.893 -115.993 152.575 -65.4378 -215.657 PRESSAVG: 918000 35.3978 7.21858 -10.5267 7.21854 37.8868 12.0557 -10.5267 12.0557 -39.2677 GPRESSAVG: 918000 35.1435 6.22672 -12.7322 9.67254 37.9289 13.7673 -11.3079 12.0308 -38.7608 TIMING: 918000 CPU: 2659.48, 0.00291331/step Wall: 2659.48, 0.00291331/step, 3.30337 hours remaining, 206.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 918000 748.5697 2072.4438 1950.2592 123.1814 -206072.6190 17629.6878 0.0000 0.0000 34309.1446 -149239.3326 299.6303 -183548.4772 -149149.6192 300.0217 -219.4109 -184.5477 558630.1770 11.3390 11.4372 PRESSURE: 918200 309.451 -33.196 -32.0294 -33.1957 110.413 -7.11412 -32.0321 -7.11609 -4.8843 GPRESSURE: 918200 337.779 -14.7174 20.4042 4.70932 123.312 -2.07637 -60.5612 -66.202 39.4804 PRESSAVG: 918200 22.8597 16.1885 29.1785 16.1885 23.6716 35.822 29.1786 35.822 -22.0626 GPRESSAVG: 918200 23.7607 16.2266 29.1858 15.6869 23.4227 36.4373 29.045 34.6132 -22.6808 TIMING: 918200 CPU: 2660.06, 0.00288485/step Wall: 2660.06, 0.00288485/step, 3.27094 hours remaining, 206.648438 MB of memory in use. ENERGY: 918200 725.1355 2133.7888 1952.1324 115.4059 -206717.9723 18120.5915 0.0000 0.0000 34288.5741 -149382.3440 299.4506 -183670.9181 -149288.9796 299.3275 138.3263 166.8571 558172.1832 8.1562 8.1675 PRESSURE: 918400 -17.9803 -38.4129 8.72542 -38.4127 -171.954 -7.53012 8.72582 -7.53102 -163.259 GPRESSURE: 918400 38.5063 10.992 -31.5986 0.606278 -160.345 2.67095 28.4111 -58.2957 -129.779 PRESSAVG: 918400 71.2062 21.8587 34.5654 21.8586 -70.0644 12.8648 34.5654 12.8648 -12.7948 GPRESSAVG: 918400 70.9289 21.8771 35.876 21.2773 -69.7348 14.4064 35.0951 12.203 -13.6929 TIMING: 918400 CPU: 2660.64, 0.00288524/step Wall: 2660.64, 0.00288524/step, 3.27122 hours remaining, 206.648438 MB of memory in use. ENERGY: 918400 731.0755 2125.9543 1922.8713 112.5164 -206266.5695 17682.2928 0.0000 0.0000 34334.4430 -149357.4162 299.8512 -183691.8593 -149257.5835 298.9758 -117.7309 -83.8727 559021.4918 -3.8843 -4.1662 PRESSURE: 918600 -245.554 233.165 -150.379 233.166 -391.157 -94.4548 -150.379 -94.4544 -367.979 GPRESSURE: 918600 -240.217 255.279 -142.089 130.623 -362.814 -108.805 -213.139 -115.076 -315.488 PRESSAVG: 918600 23.6227 -16.6978 -21.1962 -16.6979 -61.3244 -30.458 -21.1962 -30.4578 0.69224 GPRESSAVG: 918600 22.9268 -15.311 -22.5079 -15.8354 -61.442 -31.8447 -20.8008 -28.7802 1.33232 TIMING: 918600 CPU: 2661.22, 0.00290057/step Wall: 2661.22, 0.00290057/step, 3.28844 hours remaining, 206.648438 MB of memory in use. ENERGY: 918600 780.3974 2066.1293 1958.0156 120.1145 -206077.7775 17449.9695 0.0000 0.0000 34312.1132 -149391.0379 299.6562 -183703.1512 -149300.4855 298.3591 -334.8966 -306.1730 559700.8766 -12.3365 -12.3943 PRESSURE: 918800 44.9376 70.9209 34.7647 70.92 -166.4 74.3355 34.7639 74.3364 -98.6163 GPRESSURE: 918800 41.6883 106.392 -0.533314 19.9985 -81.5401 108.181 98.6881 28.933 -75.7932 PRESSAVG: 918800 -17.6798 -27.9956 -5.09034 -27.9957 31.665 23.6453 -5.09033 23.6452 -43.43 GPRESSAVG: 918800 -18.8256 -29.6766 -2.45516 -28.671 32.1955 24.2214 -6.08609 22.4593 -43.2975 TIMING: 918800 CPU: 2661.8, 0.00289912/step Wall: 2661.8, 0.00289912/step, 3.28664 hours remaining, 206.648438 MB of memory in use. ENERGY: 918800 770.9898 2093.6376 1957.0568 115.9744 -206398.3096 17888.1957 0.0000 0.0000 34008.5452 -149563.9102 297.0051 -183572.4553 -149470.3556 298.3100 -73.3594 -38.5483 559730.7856 -9.8149 -9.9759 PRESSURE: 919000 -1.3002 91.7279 58.2134 91.7269 16.3734 -134.492 58.2132 -134.493 -28.0571 GPRESSURE: 919000 -17.7293 30.8182 101.576 148.648 89.2249 -141.399 -22.1909 -105.027 1.17081 PRESSAVG: 919000 0.816042 11.9256 -15.3526 11.9255 33.256 17.2073 -15.3525 17.2075 10.3524 GPRESSAVG: 919000 1.11078 11.9344 -17.9108 11.7343 32.8855 17.4365 -13.5132 16.9086 10.3043 TIMING: 919000 CPU: 2662.38, 0.0028995/step Wall: 2662.38, 0.0028995/step, 3.2869 hours remaining, 206.851562 MB of memory in use. ENERGY: 919000 752.8327 2127.8035 1968.3164 117.7768 -206577.8787 17999.7772 0.0000 0.0000 33984.0910 -149627.2810 296.7915 -183611.3720 -149533.6108 298.6135 -4.3279 24.2221 559046.1015 14.8081 14.7669 PRESSURE: 919200 -228.408 -8.73489 47.355 -8.73621 -504.777 -27.1351 47.356 -27.1356 -138.205 GPRESSURE: 919200 -203.883 -26.3897 87.8119 -5.3582 -432.726 -22.5405 -23.8752 12.0575 -146.988 PRESSAVG: 919200 -21.1314 43.1235 43.4369 43.1235 1.31472 -17.6449 43.4368 -17.6448 -44.773 GPRESSAVG: 919200 -20.0273 42.166 44.7688 44.8496 0.892269 -18.3198 41.5365 -18.3955 -45.2719 TIMING: 919200 CPU: 2662.96, 0.00290098/step Wall: 2662.96, 0.00290098/step, 3.28842 hours remaining, 206.851562 MB of memory in use. ENERGY: 919200 753.0362 2159.0389 1924.1309 120.2284 -206312.7725 17719.6429 0.0000 0.0000 34155.3514 -149481.3439 298.2872 -183636.6953 -149393.3448 298.1129 -290.4634 -261.1992 560767.2383 -21.5299 -21.4690 PRESSURE: 919400 18.4943 103.451 117.196 103.452 -116.698 16.2926 117.196 16.2909 -17.0039 GPRESSURE: 919400 27.9903 48.444 152.806 90.7203 -107.377 36.7465 101.648 -33.1834 48.1941 PRESSAVG: 919400 -2.97886 -26.828 41.9098 -26.828 -22.9007 -11.6046 41.9097 -11.6045 39.3864 GPRESSAVG: 919400 -3.24858 -26.1195 42.3982 -28.429 -23.025 -9.8483 44.3064 -10.6241 39.4743 TIMING: 919400 CPU: 2663.54, 0.00288445/step Wall: 2663.54, 0.00288445/step, 3.26953 hours remaining, 206.851562 MB of memory in use. ENERGY: 919400 780.2924 2136.2441 1932.7287 101.7685 -206250.9666 18051.4683 0.0000 0.0000 34040.5087 -149207.9559 297.2842 -183248.4645 -149108.5453 298.4665 -38.4025 -10.3976 559114.3973 4.5023 4.4002 PRESSURE: 919600 10.4448 -35.4957 -168.253 -35.495 -39.2449 -90.0363 -168.253 -90.0364 -146.65 GPRESSURE: 919600 66.6148 -108.004 -205.065 -50.7916 -7.30302 -105.783 -196.469 -55.9901 -144.888 PRESSAVG: 919600 -18.5013 -14.9764 -10.1591 -14.9763 -36.4565 -58.3754 -10.1591 -58.3754 32.5122 GPRESSAVG: 919600 -17.3996 -14.2226 -9.41319 -15.3937 -36.7689 -62.2002 -12.5747 -57.1676 31.8298 TIMING: 919600 CPU: 2664.12, 0.00290193/step Wall: 2664.12, 0.00290193/step, 3.28917 hours remaining, 207.050781 MB of memory in use. ENERGY: 919600 716.9323 2140.4283 1933.4736 115.7200 -205841.7363 17647.7219 0.0000 0.0000 34033.2472 -149254.2131 297.2208 -183287.4603 -149157.3033 299.1065 -58.4833 -28.5254 559045.6297 -7.4819 -7.4463 PRESSURE: 919800 -54.733 -177.576 196.974 -177.576 98.6843 74.9047 196.974 74.9053 235.513 GPRESSURE: 919800 -64.2016 -129.824 234.092 -135.088 131.871 28.2983 218.762 91.7956 309.849 PRESSAVG: 919800 -48.4631 6.75925 16.1575 6.75926 28.9736 21.6161 16.1576 21.6162 2.43265 GPRESSAVG: 919800 -49.5586 6.07916 14.9095 7.19496 29.9995 23.9087 17.3774 19.257 2.73154 TIMING: 919800 CPU: 2664.69, 0.00288354/step Wall: 2664.69, 0.00288354/step, 3.26817 hours remaining, 207.050781 MB of memory in use. ENERGY: 919800 784.7965 2114.1429 1949.4957 121.7522 -206082.9566 18016.0422 0.0000 0.0000 34050.3215 -149046.4056 297.3699 -183096.7271 -148952.8713 299.3318 93.1547 125.8395 558377.7498 -5.6856 -5.6092 PRESSURE: 920000 -79.8377 127.564 -42.9347 127.565 -293.721 -44.909 -42.9326 -44.9107 -465.424 GPRESSURE: 920000 -108.528 219.699 -8.66747 37.4816 -194.257 -46.6662 8.3121 -52.9579 -443.927 PRESSAVG: 920000 15.6992 -83.9084 37.7239 -83.9084 -6.36433 -29.5696 37.7239 -29.5697 29.9425 GPRESSAVG: 920000 14.8656 -83.2217 38.1906 -84.7821 -5.46218 -29.5982 36.8193 -28.6033 29.5157 TIMING: 920000 CPU: 2665.27, 0.00290092/step Wall: 2665.27, 0.00290092/step, 3.28771 hours remaining, 207.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 920000 773.4902 2083.2611 1941.6633 108.5449 -205858.8472 17509.1188 0.0000 0.0000 34376.9990 -149065.7699 300.2229 -183442.7689 -148958.9210 299.6950 -279.6609 -248.9037 559294.1542 13.0925 12.9730 PRESSURE: 920200 104.433 -53.2454 135.446 -53.2467 -92.3649 -10.5007 135.445 -10.499 0.547354 GPRESSURE: 920200 190.483 -85.0788 93.9751 38.4997 -93.5704 -76.8573 82.5105 58.3405 17.0453 PRESSAVG: 920200 -4.15077 -31.0706 -11.4122 -31.0707 95.4992 -48.2906 -11.4122 -48.2905 -97.3013 GPRESSAVG: 920200 -2.12865 -30.3903 -14.5671 -31.5486 94.5047 -48.7941 -9.53635 -46.9282 -98.5601 TIMING: 920200 CPU: 2665.85, 0.00288179/step Wall: 2665.85, 0.00288179/step, 3.26587 hours remaining, 207.050781 MB of memory in use. ENERGY: 920200 731.3715 2156.6517 1927.5511 117.0994 -206574.8263 18088.2322 0.0000 0.0000 34356.5250 -149197.3954 300.0441 -183553.9204 -149093.8063 300.0111 4.2051 37.9859 558472.7180 -1.9843 -2.0613 LDB: ============= START OF LOAD BALANCING ============== 2669.23 LDB: ============== END OF LOAD BALANCING =============== 2669.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2669.24 LDB: ============= START OF LOAD BALANCING ============== 2669.53 LDB: Largest compute 4822 load 0.026966 is 22.9% of average load 0.117942 LDB: Average compute 0.001720 is 1.5% of average load 0.117942 LDB: TIME 2669.53 LOAD: AVG 0.117942 MAX 0.185516 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.93 MB LDB: TIME 2669.53 LOAD: AVG 0.117942 MAX 0.185516 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.93 MB LDB: TIME 2669.53 LOAD: AVG 0.117942 MAX 0.185516 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2669.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2669.54 PRESSURE: 920400 40.5014 -15.722 18.6078 -15.7206 -89.1812 87.7044 18.6068 87.7047 80.5194 GPRESSURE: 920400 105.919 -66.6974 34.074 -47.8622 -70.3666 101.905 34.3451 81.5543 90.8135 PRESSAVG: 920400 -29.2762 -5.19529 59.171 -5.19533 23.8954 -16.7424 59.171 -16.7423 -2.53662 GPRESSAVG: 920400 -29.3505 -6.39449 59.4307 -5.37491 22.4478 -16.5788 60.2128 -17.9026 -1.59113 TIMING: 920400 CPU: 2666.44, 0.00295217/step Wall: 2666.44, 0.00295217/step, 3.34546 hours remaining, 206.761719 MB of memory in use. ENERGY: 920400 718.7027 2097.7522 1935.5894 121.1928 -206261.5887 17870.6788 0.0000 0.0000 34244.9187 -149272.7542 299.0694 -183517.6728 -149167.4867 298.6950 10.6132 42.1219 558419.8518 -2.6392 -2.8313 PRESSURE: 920600 -231.251 -94.196 -47.6653 -94.1964 -57.8262 33.9809 -47.6662 33.978 -66.2879 GPRESSURE: 920600 -229.429 -80.0316 54.5551 -37.3508 29.7428 49.7158 -98.3493 35.9922 -56.8041 PRESSAVG: 920600 -41.3501 -37.0529 63.461 -37.053 44.1505 -32.608 63.461 -32.608 7.90845 GPRESSAVG: 920600 -42.2521 -37.6756 64.9936 -35.2946 44.6914 -33.417 62.1419 -31.062 8.16111 TIMING: 920600 CPU: 2667.01, 0.00287128/step Wall: 2667.01, 0.00287129/step, 3.25365 hours remaining, 206.960938 MB of memory in use. ENERGY: 920600 762.1851 2082.3921 1941.1045 103.0244 -206349.5312 17902.3700 0.0000 0.0000 34173.7377 -149384.7173 298.4478 -183558.4550 -149290.1681 297.8652 -118.4549 -85.4969 558898.0776 3.5696 3.5335 PRESSURE: 920800 -187.509 -130.294 -53.3771 -130.294 -13.6857 -36.4955 -53.3767 -36.4964 19.5571 GPRESSURE: 920800 -154.681 -228.401 -56.5362 -60.45 19.6406 -10.2387 -70.717 -61.5453 42.7618 PRESSAVG: 920800 -36.6534 -56.5338 17.4909 -56.5338 50.8347 9.97872 17.491 9.97872 -0.920748 GPRESSAVG: 920800 -35.8366 -57.1802 17.6399 -55.9322 50.5096 10.3096 18.1366 7.75644 -1.3932 TIMING: 920800 CPU: 2667.59, 0.00287205/step Wall: 2667.59, 0.00287205/step, 3.25435 hours remaining, 206.960938 MB of memory in use. ENERGY: 920800 712.9327 2076.9962 1931.0831 116.2246 -206067.1188 17641.3188 0.0000 0.0000 34056.1089 -149532.4546 297.4205 -183588.5635 -149434.1455 298.1555 -60.5459 -30.7595 558505.5506 4.4202 4.4266 PRESSURE: 921000 253.715 75.1563 -38.87 75.1567 34.9291 -65.6847 -38.8708 -65.683 233.246 GPRESSURE: 921000 301.246 164.27 -69.1556 25.3208 27.0549 -78.4881 8.11077 -94.4581 287.378 PRESSAVG: 921000 39.7297 -64.0608 -20.3477 -64.0608 -36.4473 -40.9876 -20.3477 -40.9876 22.9063 GPRESSAVG: 921000 37.9076 -64.9693 -19.2957 -67.2952 -35.5917 -42.2636 -20.1104 -38.9144 23.7498 TIMING: 921000 CPU: 2668.17, 0.00289077/step Wall: 2668.17, 0.00289077/step, 3.2754 hours remaining, 206.960938 MB of memory in use. ENERGY: 921000 739.8558 2056.8636 1936.7245 123.4879 -206472.2834 17965.9506 0.0000 0.0000 34216.1939 -149433.2071 298.8185 -183649.4010 -149329.2486 297.5942 173.9636 205.2261 557912.9614 8.7296 8.6886 PRESSURE: 921200 -125.561 23.6434 104.311 23.6432 29.7341 -7.4115 104.312 -7.41272 -204.413 GPRESSURE: 921200 -104.675 -8.19322 -3.55914 31.6109 23.4998 -52.022 191.345 40.2759 -124.135 PRESSAVG: 921200 72.9257 3.11483 -18.2282 3.11491 -18.4094 -41.37 -18.2283 -41.37 -24.6704 GPRESSAVG: 921200 73.6719 4.99058 -18.8781 1.90867 -18.9519 -40.6032 -19.46 -41.5323 -24.9239 TIMING: 921200 CPU: 2668.74, 0.0028902/step Wall: 2668.74, 0.0028902/step, 3.2746 hours remaining, 206.960938 MB of memory in use. ENERGY: 921200 765.7512 2025.9357 1928.5833 113.3784 -205981.7263 17620.6266 0.0000 0.0000 34011.9170 -149515.5340 297.0345 -183527.4510 -149415.9372 297.8856 -100.0799 -68.4366 558403.1554 9.9486 9.9320 PRESSURE: 921400 202.871 99.6269 -66.6665 99.6274 102.763 215.395 -66.6668 215.397 171.822 GPRESSURE: 921400 216.524 18.2667 -91.6708 103.134 106.281 285.769 -30.4897 105.174 251.417 PRESSAVG: 921400 58.7104 -2.80392 -52.339 -2.80384 -20.7546 -14.9611 -52.339 -14.9611 -21.214 GPRESSAVG: 921400 59.0434 -3.99645 -53.1947 -1.12838 -20.3891 -13.3983 -50.7066 -15.9293 -21.6976 TIMING: 921400 CPU: 2669.32, 0.00288202/step Wall: 2669.32, 0.00288202/step, 3.26517 hours remaining, 206.960938 MB of memory in use. ENERGY: 921400 732.4132 2123.4751 1959.3867 111.2384 -206657.5126 18259.3928 0.0000 0.0000 34135.8780 -149335.7285 298.1171 -183471.6065 -149234.3553 298.4836 159.1519 191.4073 556689.6007 5.5806 5.6522 PRESSURE: 921600 -103.527 -7.70434 -17.2814 -7.70377 2.21224 128.375 -17.2811 128.375 -270.063 GPRESSURE: 921600 -48.4512 14.0538 13.1175 9.45487 45.5275 141.259 -58.1841 28.6207 -273.761 PRESSAVG: 921600 -23.7169 -45.4692 5.88072 -45.4693 10.6744 49.7889 5.88065 49.7889 12.5205 GPRESSAVG: 921600 -24.58 -44.1191 7.35651 -46.6089 10.9319 50.5127 6.44468 49.567 13.4776 TIMING: 921600 CPU: 2669.9, 0.00290668/step Wall: 2669.9, 0.00290668/step, 3.29294 hours remaining, 207.015625 MB of memory in use. ENERGY: 921600 758.3477 2103.3309 1927.1894 115.1303 -206325.8049 17845.2310 0.0000 0.0000 34334.2489 -149242.3268 299.8495 -183576.5757 -149144.3728 299.1933 -123.7923 -92.2284 558418.7860 -0.1740 -0.0569 PRESSURE: 921800 -105.994 40.1552 109.897 40.1543 -249.715 54.2539 109.897 54.2527 -138.476 GPRESSURE: 921800 -95.9281 18.4228 27.8286 38.1528 -172.105 35.7038 115.748 19.4122 -130.033 PRESSAVG: 921800 -31.5274 9.58251 0.013162 9.58248 32.6343 43.9042 0.0132288 43.9041 -1.70609 GPRESSAVG: 921800 -29.9014 9.642 0.252463 9.61977 32.754 42.5321 -1.38375 44.4956 -3.01798 TIMING: 921800 CPU: 2670.48, 0.00289419/step Wall: 2670.48, 0.00289419/step, 3.27864 hours remaining, 207.015625 MB of memory in use. ENERGY: 921800 758.6729 2102.1489 1942.5017 122.5029 -206035.2588 17593.6594 0.0000 0.0000 34255.9731 -149259.7999 299.1659 -183515.7730 -149163.2865 299.4748 -164.7286 -132.6885 557605.7130 -0.1997 -0.0551 PRESSURE: 922000 -230.461 -90.4711 -222.369 -90.471 -27.6718 -81.1144 -222.37 -81.1152 -102.568 GPRESSURE: 922000 -236.238 -154.22 -212.491 -52.7908 30.5937 -99.6066 -207.646 -89.2908 -64.3556 PRESSAVG: 922000 -3.899 -1.08353 -38.2835 -1.0835 22.8827 18.1674 -38.2836 18.1673 -32.0913 GPRESSAVG: 922000 -5.77381 1.15558 -38.537 -3.18076 23.596 18.0699 -38.7609 18.078 -30.7314 TIMING: 922000 CPU: 2671.06, 0.00287975/step Wall: 2671.06, 0.00287975/step, 3.26211 hours remaining, 207.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 922000 750.1641 2109.3513 1961.4421 114.5428 -206193.7892 17689.8423 0.0000 0.0000 34219.8766 -149348.5700 298.8507 -183568.4466 -149246.8297 299.1415 -120.2334 -89.9999 557466.9165 -4.3692 -4.3031 PRESSURE: 922200 -85.5741 80.587 -102.58 80.5859 -104.406 -70.0262 -102.58 -70.0249 -53.6649 GPRESSURE: 922200 -63.6086 105.265 -112.714 87.9661 -38.3667 -10.0778 -68.086 -106.148 -52.2235 PRESSAVG: 922200 -22.3982 44.1863 -38.6186 44.1862 98.5783 30.9581 -38.6185 30.958 -79.7028 GPRESSAVG: 922200 -22.9027 41.2197 -37.4982 45.9005 99.9571 30.0044 -37.8454 32.6128 -80.6029 TIMING: 922200 CPU: 2671.64, 0.00289416/step Wall: 2671.64, 0.00289416/step, 3.27828 hours remaining, 207.015625 MB of memory in use. ENERGY: 922200 745.9014 2090.6726 1939.3745 104.6131 -206029.1312 17510.4366 0.0000 0.0000 34158.9229 -149479.2102 298.3184 -183638.1330 -149381.4983 298.0245 -81.2152 -51.3996 556833.5018 -1.1742 -1.1829 PRESSURE: 922400 -250.778 93.7713 -25.2236 93.7708 140.478 271.289 -25.2249 271.29 -102.695 GPRESSURE: 922400 -144.292 32.8542 -32.6816 159.624 149.328 260.577 83.031 264.588 -112.165 PRESSAVG: 922400 10.4329 -27.5955 -6.28149 -27.5956 80.4009 -16.0402 -6.28142 -16.0401 -58.6792 GPRESSAVG: 922400 11.8476 -24.9042 -6.8258 -28.3137 77.9303 -16.2708 -7.38771 -17.2562 -57.4335 TIMING: 922400 CPU: 2672.22, 0.00291291/step Wall: 2672.22, 0.00291291/step, 3.29936 hours remaining, 207.015625 MB of memory in use. ENERGY: 922400 738.3884 2061.2700 1965.0996 107.9947 -206224.9699 17783.8797 0.0000 0.0000 34287.9566 -149280.3809 299.4453 -183568.3375 -149187.9030 298.7975 -70.9983 -35.7098 558010.7262 10.7182 10.7815 PRESSURE: 922600 -122.753 -18.5967 -39.4812 -18.5973 66.6534 -0.586191 -39.4798 -0.586553 -221.805 GPRESSURE: 922600 -107.508 48.7651 -117.766 -4.07468 104.98 -13.5334 70.0171 9.26798 -182.631 PRESSAVG: 922600 -13.6531 -7.67366 -42.9523 -7.67361 -36.9963 -17.3437 -42.9522 -17.3437 36.8003 GPRESSAVG: 922600 -14.6642 -9.44219 -44.4491 -7.3835 -35.0304 -16.8314 -42.5875 -17.0022 35.4321 TIMING: 922600 CPU: 2672.8, 0.00291536/step Wall: 2672.8, 0.00291536/step, 3.30197 hours remaining, 207.015625 MB of memory in use. ENERGY: 922600 791.2995 2093.4608 1927.2000 108.3815 -206077.0326 17692.2158 0.0000 0.0000 34194.8123 -149269.6627 298.6318 -183464.4751 -149177.8320 298.8661 -92.6347 -61.7195 555560.8003 -4.6164 -4.7542 PRESSURE: 922800 121.705 -22.179 -73.8238 -22.1786 -98.9613 120.558 -73.8226 120.557 -322.903 GPRESSURE: 922800 101.837 -87.4417 -84.0137 -41.1219 -48.5486 123.031 -55.8315 64.6857 -265.004 PRESSAVG: 922800 -15.9767 40.4197 -4.29298 40.4197 49.4006 5.03255 -4.29311 5.03249 0.774517 GPRESSAVG: 922800 -15.32 39.8234 -2.71642 40.3988 47.9778 3.18716 -3.66877 6.08769 1.98824 TIMING: 922800 CPU: 2673.38, 0.00290052/step Wall: 2673.38, 0.00290052/step, 3.285 hours remaining, 207.015625 MB of memory in use. ENERGY: 922800 748.7980 2100.8645 1958.8468 119.5311 -206122.8603 17570.9301 0.0000 0.0000 34405.8613 -149218.0284 300.4749 -183623.8898 -149119.1234 299.4500 -100.0530 -70.5717 555671.2725 11.3995 11.5487 PRESSURE: 923000 -232.497 60.4933 93.5653 60.4934 5.30048 -117.672 93.5642 -117.67 84.7416 GPRESSURE: 923000 -219.643 124.557 119.679 35.9165 55.6268 -115.91 34.3956 -65.4677 120.937 PRESSAVG: 923000 -15.3819 -35.5742 26.0422 -35.5742 24.6358 -12.4535 26.0421 -12.4536 -11.6239 GPRESSAVG: 923000 -15.2216 -34.2659 24.8761 -35.3061 24.8088 -9.65655 24.9692 -12.858 -11.8245 TIMING: 923000 CPU: 2673.97, 0.00291888/step Wall: 2673.97, 0.00291888/step, 3.30564 hours remaining, 207.015625 MB of memory in use. ENERGY: 923000 766.2406 2120.5966 1964.5097 110.1952 -206200.9953 17748.9415 0.0000 0.0000 34299.9222 -149190.5894 299.5498 -183490.5117 -149095.1609 299.3310 -47.4849 -14.3597 555881.1698 -0.7900 -0.7458 PRESSURE: 923200 135.263 149.674 -35.57 149.674 -227.557 167.083 -35.5698 167.082 122.323 GPRESSURE: 923200 187.785 152.203 3.90505 146.86 -213.115 202.921 -27.0606 109.507 141.165 PRESSAVG: 923200 26.8161 -22.6034 32.9667 -22.6034 -110.489 48.3136 32.9667 48.3137 47.8805 GPRESSAVG: 923200 26.658 -22.5901 34.3598 -22.6516 -109.099 49.7967 32.63 45.4653 46.7824 TIMING: 923200 CPU: 2674.55, 0.00290337/step Wall: 2674.55, 0.00290337/step, 3.28791 hours remaining, 207.015625 MB of memory in use. ENERGY: 923200 727.9853 2097.8624 1928.5011 104.2574 -206277.1127 18045.0596 0.0000 0.0000 34293.1658 -149080.2811 299.4907 -183373.4469 -148982.6301 299.1532 10.0094 38.6117 558965.9752 -11.9307 -11.8862 PRESSURE: 923400 -79.8151 -18.0442 -49.054 -18.0442 -286.885 -125.234 -49.0545 -125.233 -160.084 GPRESSURE: 923400 -81.3472 -74.6218 -0.5487 -26.9093 -234.672 -176.432 -53.8695 -112.614 -118.557 PRESSAVG: 923400 -7.51328 -3.57177 -25.2591 -3.57175 -42.4493 -5.26667 -25.2591 -5.26657 43.9778 GPRESSAVG: 923400 -8.69843 -5.67808 -28.185 -3.07572 -41.9225 -7.19721 -23.3682 -4.8252 44.589 TIMING: 923400 CPU: 2675.13, 0.00291247/step Wall: 2675.13, 0.00291247/step, 3.29805 hours remaining, 207.015625 MB of memory in use. ENERGY: 923400 748.7349 2054.1364 1933.1426 115.1634 -205852.9618 17693.5711 0.0000 0.0000 34115.6157 -149192.5978 297.9402 -183308.2135 -149100.9734 299.1908 -175.5945 -144.8590 557004.0040 -1.9949 -2.0106 PRESSURE: 923600 65.2232 28.1535 132.98 28.1545 31.7765 72.0134 132.98 72.0141 -92.5811 GPRESSURE: 923600 73.0452 3.91529 152.689 129.049 62.5302 49.2109 88.4669 140.761 -28.4398 PRESSAVG: 923600 -25.6705 -15.9532 -6.25311 -15.9532 -3.39056 -17.881 -6.25311 -17.8811 17.4372 GPRESSAVG: 923600 -25.1146 -15.2474 -5.18071 -18.2866 -3.66726 -18.2057 -6.08218 -15.5049 17.6421 TIMING: 923600 CPU: 2675.71, 0.002904/step Wall: 2675.71, 0.002904/step, 3.2883 hours remaining, 207.015625 MB of memory in use. ENERGY: 923600 711.0952 2037.2269 1927.2212 117.8296 -206126.0051 17841.6076 0.0000 0.0000 34240.7122 -149250.3123 299.0327 -183491.0244 -149161.1478 299.3241 1.4729 35.7119 558353.5864 -3.8746 -3.7133 PRESSURE: 923800 289.809 169.698 52.6592 169.698 141.06 35.8092 52.6582 35.8106 62.445 GPRESSURE: 923800 335.69 160.71 46.4748 169.712 165.38 71.6508 15.7773 -0.459753 92.0071 PRESSAVG: 923800 33.7146 47.1438 103.045 47.1439 -12.6307 -3.80107 103.045 -3.8011 -4.44924 GPRESSAVG: 923800 34.8368 46.1952 103.03 49.4796 -12.5859 -5.95731 101.238 -4.37458 -5.66658 TIMING: 923800 CPU: 2676.29, 0.00290468/step Wall: 2676.29, 0.00290468/step, 3.28891 hours remaining, 207.015625 MB of memory in use. ENERGY: 923800 696.6878 2157.3367 1924.0527 112.8570 -206258.6329 17961.4810 0.0000 0.0000 34230.1005 -149176.1173 298.9400 -183406.2178 -149079.2476 299.2297 164.4381 197.6922 557692.0761 5.5449 5.5281 PRESSURE: 924000 -24.677 163.017 19.2374 163.017 -113.678 60.6424 19.2366 60.6438 204.218 GPRESSURE: 924000 -6.83887 187.699 129.393 151.303 -102.83 41.0792 -56.4951 51.0729 270.225 PRESSAVG: 924000 23.3799 32.5318 22.3575 32.5318 -56.8729 28.4343 22.3575 28.4344 14.9898 GPRESSAVG: 924000 23.3299 35.0681 22.8319 31.6026 -57.5924 30.1044 21.9307 28.4368 15.28 TIMING: 924000 CPU: 2676.88, 0.00292544/step Wall: 2676.88, 0.00292544/step, 3.31225 hours remaining, 207.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 924000 768.0268 2054.0313 1953.2599 107.5466 -206114.2920 17895.2808 0.0000 0.0000 34243.5868 -149092.5598 299.0578 -183336.1466 -149004.1535 299.6282 21.9543 53.5187 559061.1820 -6.1677 -6.3275 PRESSURE: 924200 30.3294 82.9492 -122.958 82.9493 23.8796 33.1624 -122.958 33.1615 -104.354 GPRESSURE: 924200 55.4472 50.3968 -124.549 87.8739 91.6081 37.5192 -193.76 29.4158 -103.794 PRESSAVG: 924200 -23.4563 30.9463 -34.1348 30.9463 -18.2015 -42.172 -34.1348 -42.172 63.7678 GPRESSAVG: 924200 -24.028 27.9739 -35.4462 30.997 -18.6024 -43.2749 -33.2784 -40.8935 64.2572 TIMING: 924200 CPU: 2677.46, 0.0029218/step Wall: 2677.46, 0.0029218/step, 3.30796 hours remaining, 207.015625 MB of memory in use. ENERGY: 924200 756.7378 2098.0536 1947.8332 107.6758 -206218.1660 17766.9589 0.0000 0.0000 34421.6580 -149119.2487 300.6129 -183540.9067 -149022.8103 299.5062 -16.7151 14.4204 558159.3664 7.3700 7.2090 LDB: ============= START OF LOAD BALANCING ============== 2680.85 LDB: ============== END OF LOAD BALANCING =============== 2680.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2680.85 LDB: ============= START OF LOAD BALANCING ============== 2681.14 LDB: Largest compute 4820 load 0.027212 is 23.1% of average load 0.117935 LDB: Average compute 0.001714 is 1.5% of average load 0.117935 LDB: TIME 2681.14 LOAD: AVG 0.117935 MAX 0.186513 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.691 MB LDB: TIME 2681.14 LOAD: AVG 0.117935 MAX 0.186513 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.691 MB LDB: TIME 2681.14 LOAD: AVG 0.117935 MAX 0.186513 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.691 MB LDB: ============== END OF LOAD BALANCING =============== 2681.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2681.15 PRESSURE: 924400 396.979 78.6519 132.022 78.6512 175.437 -13.2159 132.022 -13.2141 66.9835 GPRESSURE: 924400 450.674 26.2705 84.8011 94.3342 185.804 18.7608 150.657 -26.2617 107.28 PRESSAVG: 924400 19.2524 -16.9374 -20.4223 -16.9374 -59.0742 4.77186 -20.4223 4.77177 10.1316 GPRESSAVG: 924400 19.8336 -17.0728 -20.4464 -15.1456 -59.4468 5.40235 -19.7777 3.23357 10.109 TIMING: 924400 CPU: 2678.05, 0.00296645/step Wall: 2678.05, 0.00296645/step, 3.35835 hours remaining, 207.589844 MB of memory in use. ENERGY: 924400 728.9564 2069.8282 1936.6105 105.2378 -206299.8810 18125.3529 0.0000 0.0000 34284.2866 -149049.6085 299.4132 -183333.8951 -148957.6890 299.6210 213.1331 247.9192 557782.0736 -9.8967 -9.8347 PRESSURE: 924600 146.609 24.2361 -61.5186 24.2363 135.259 -175.411 -61.5187 -175.41 7.55545 GPRESSURE: 924600 149.273 -12.8223 -23.0505 58.7459 169.792 -200.889 -144.355 -138.648 71.6405 PRESSAVG: 924600 30.1139 34.1521 -0.483651 34.1521 -36.6812 -37.4834 -0.483606 -37.4833 -11.7967 GPRESSAVG: 924600 27.9942 36.6028 1.01248 32.1961 -35.0939 -38.5527 -0.936975 -38.1613 -11.0762 TIMING: 924600 CPU: 2678.64, 0.00292293/step Wall: 2678.64, 0.00292293/step, 3.30892 hours remaining, 207.589844 MB of memory in use. ENERGY: 924600 726.0847 2060.2706 1962.7900 118.5986 -206290.5806 18016.0308 0.0000 0.0000 34512.5225 -148894.2834 301.4064 -183406.8059 -148790.0728 300.1606 96.4747 130.2352 558453.0407 -6.1213 -6.0586 PRESSURE: 924800 -145.249 -28.9777 -40.6498 -28.9764 147.074 -17.2948 -40.6496 -17.2972 -186.206 GPRESSURE: 924800 -121.138 -77.1258 -5.95342 -86.5856 175.071 -74.2917 -45.3387 25.8309 -136.115 PRESSAVG: 924800 65.1948 -18.2927 37.0402 -18.2927 -44.4959 -28.5427 37.0402 -28.5426 31.9343 GPRESSAVG: 924800 66.7746 -21.6848 35.9881 -18.4537 -44.3246 -27.651 37.7461 -27.8362 29.9457 TIMING: 924800 CPU: 2679.22, 0.00291355/step Wall: 2679.22, 0.00291355/step, 3.29814 hours remaining, 207.589844 MB of memory in use. ENERGY: 924800 751.9806 2066.0466 1945.0810 118.6931 -205907.9055 17825.9638 0.0000 0.0000 34347.9853 -148852.1551 299.9695 -183200.1404 -148754.4462 299.8635 -61.4604 -27.3941 559930.4423 17.5444 17.4652 PRESSURE: 925000 56.5971 -153.297 159.861 -153.298 118.221 -61.9852 159.86 -61.9859 8.66152 GPRESSURE: 925000 93.8821 -152.754 31.5216 -122.689 149.352 -0.844417 235.344 -132.799 25.5519 PRESSAVG: 925000 89.7683 -40.7364 35.4929 -40.7363 -33.9618 32.0641 35.4929 32.0641 -58.0353 GPRESSAVG: 925000 89.5448 -37.5217 35.9242 -39.7353 -32.9716 32.81 36.1515 32.6899 -58.2074 TIMING: 925000 CPU: 2679.8, 0.00289912/step Wall: 2679.8, 0.00289912/step, 3.28164 hours remaining, 207.589844 MB of memory in use. ENERGY: 925000 694.9571 2095.2663 1927.0300 113.2235 -206177.2289 17990.4845 0.0000 0.0000 34363.4282 -148992.8393 300.1044 -183356.2675 -148899.4409 299.8300 61.1597 89.5952 559435.7819 -0.7429 -0.5447 PRESSURE: 925200 95.8199 -48.2048 103.649 -48.2033 -126.458 101.535 103.648 101.535 -89.863 GPRESSURE: 925200 64.3777 -83.9737 0.40057 42.5367 -23.9453 111.194 152.112 78.9333 -64.2752 PRESSAVG: 925200 2.18117 -4.62135 -10.8668 -4.62129 0.720895 11.8613 -10.867 11.8613 -82.7138 GPRESSAVG: 925200 2.39568 -7.82325 -11.1946 -4.59497 0.305951 9.83419 -11.5565 12.2018 -83.1185 TIMING: 925200 CPU: 2680.38, 0.00290094/step Wall: 2680.38, 0.00290094/step, 3.28354 hours remaining, 207.589844 MB of memory in use. ENERGY: 925200 725.2515 2135.7627 1927.1211 121.7667 -205741.6173 17683.9874 0.0000 0.0000 34219.4703 -148928.2575 298.8471 -183147.7279 -148835.3448 299.8914 -40.1669 -7.9476 558581.1360 -26.6039 -26.8056 PRESSURE: 925400 -192.257 -30.8992 -141.591 -30.8992 56.495 -125.284 -141.592 -125.285 -29.5922 GPRESSURE: 925400 -231.092 4.83486 -132.454 -132.73 101.124 -84.6505 -98.5572 -106.207 54.8784 PRESSAVG: 925400 4.21289 67.6081 7.25504 67.6081 -15.0897 37.7713 7.25512 37.7712 12.1762 GPRESSAVG: 925400 4.43312 69.3628 8.09331 66.6962 -15.9368 39.8527 7.23109 37.4365 12.8867 TIMING: 925400 CPU: 2680.96, 0.0029134/step Wall: 2680.96, 0.0029134/step, 3.29748 hours remaining, 207.644531 MB of memory in use. ENERGY: 925400 808.3142 2082.6822 1941.0936 119.6584 -206039.3407 17929.2199 0.0000 0.0000 34336.0465 -148822.3259 299.8652 -183158.3724 -148723.2419 299.5869 -55.1181 -25.0300 559067.5957 0.4332 0.4610 PRESSURE: 925600 -18.5753 49.1404 97.4908 49.1395 42.3324 46.0297 97.4918 46.0303 -545.229 GPRESSURE: 925600 -42.4507 38.6052 -123.105 47.8802 80.8439 -10.3457 174.792 103.165 -459.211 PRESSAVG: 925600 7.45368 -1.91108 -1.7961 -1.91114 56.0719 22.6983 -1.79611 22.6983 -45.1335 GPRESSAVG: 925600 7.7462 -1.23549 -2.1304 -3.19745 57.1362 23.2832 -1.07212 22.4471 -45.6688 TIMING: 925600 CPU: 2681.54, 0.00288639/step Wall: 2681.54, 0.0028864/step, 3.26676 hours remaining, 207.656250 MB of memory in use. ENERGY: 925600 743.3596 2067.9370 1960.8612 117.2444 -205674.2758 17640.2160 0.0000 0.0000 34418.1270 -148726.5305 300.5821 -183144.6575 -148630.2744 300.6114 -173.8238 -140.2725 559579.2284 6.1307 6.4045 PRESSURE: 925800 -53.3362 -84.3872 144.285 -84.3871 -92.4256 184.752 144.285 184.751 43.3798 GPRESSURE: 925800 62.7842 -92.8538 102.999 -89.8538 -132.475 154.524 146.485 159.249 60.5805 PRESSAVG: 925800 28.2898 49.8491 25.8898 49.8491 -4.7236 -6.50589 25.8899 -6.5059 -22.5427 GPRESSAVG: 925800 29.3649 50.8061 24.6344 51.2387 -5.89834 -7.53393 24.9379 -7.75042 -22.7601 TIMING: 925800 CPU: 2682.12, 0.00288793/step Wall: 2682.12, 0.00288793/step, 3.26834 hours remaining, 207.656250 MB of memory in use. ENERGY: 925800 766.0931 2053.3459 1934.5678 125.4202 -205725.4836 17642.3835 0.0000 0.0000 34290.6377 -148913.0354 299.4687 -183203.6731 -148815.7363 300.1019 -34.1273 -3.0369 557843.5992 0.3412 0.2355 PRESSURE: 926000 53.8424 121.35 115.37 121.35 -25.8115 152.192 115.37 152.192 152.409 GPRESSURE: 926000 112.813 204.304 83.1615 104.075 -34.1382 136.386 73.5421 196.371 204.384 PRESSAVG: 926000 -30.5909 64.3192 -0.249167 64.3192 84.6029 42.815 -0.249134 42.8151 -47.3336 GPRESSAVG: 926000 -31.2612 62.5224 -0.326801 62.4076 84.6841 42.9881 1.28981 42.8399 -46.7522 TIMING: 926000 CPU: 2682.7, 0.00290306/step Wall: 2682.7, 0.00290306/step, 3.28529 hours remaining, 207.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 926000 774.0183 2127.6004 1942.4936 111.3877 -206121.7144 17927.5725 0.0000 0.0000 34295.0003 -148943.6416 299.5068 -183238.6419 -148853.2130 299.8819 60.1468 94.3527 557977.9388 2.2261 2.2236 PRESSURE: 926200 -170.433 -149.666 99.3951 -149.668 -127.868 -300.894 99.3957 -300.894 -272.118 GPRESSURE: 926200 -179.106 -81.516 156.306 -302.368 -92.1907 -286.925 31.408 -251.661 -199.071 PRESSAVG: 926200 -15.7641 20.0955 16.3991 20.0955 36.6785 6.42483 16.399 6.42477 -34.462 GPRESSAVG: 926200 -16.0845 19.9103 19.5985 22.2622 37.0973 7.64863 13.0969 7.10521 -34.8833 TIMING: 926200 CPU: 2683.28, 0.00289442/step Wall: 2683.28, 0.00289442/step, 3.27536 hours remaining, 207.656250 MB of memory in use. ENERGY: 926200 738.1646 2143.7358 1931.6517 119.8722 -205827.1429 17614.4535 0.0000 0.0000 34514.8503 -148764.4149 301.4268 -183279.2652 -148669.7365 300.2929 -190.1399 -156.7891 557983.9694 -4.5159 -4.6235 PRESSURE: 926400 -147.995 -170.233 163.161 -170.232 105.493 -29.4412 163.16 -29.44 17.3046 GPRESSURE: 926400 -94.4126 -91.7454 134.575 -196.841 132.69 -108.754 142.261 -31.4862 42.9411 PRESSAVG: 926400 -15.8591 -10.4189 -7.49207 -10.4188 59.8832 0.565502 -7.49205 0.565547 -18.6056 GPRESSAVG: 926400 -16.5021 -8.061 -9.53998 -11.837 59.6608 -0.608755 -6.66887 -1.09915 -18.0721 TIMING: 926400 CPU: 2683.86, 0.00290551/step Wall: 2683.86, 0.00290551/step, 3.28775 hours remaining, 207.656250 MB of memory in use. ENERGY: 926400 723.5632 2048.7798 1956.9210 112.4166 -205781.3525 17669.5480 0.0000 0.0000 34350.3939 -148919.7301 299.9905 -183270.1240 -148821.9805 300.5445 -8.3990 27.0728 559344.4118 8.4728 8.3622 PRESSURE: 926600 -224.04 -10.029 176.763 -10.0283 -126.244 -159.939 176.762 -159.938 -187.642 GPRESSURE: 926600 -229.572 4.3603 152.831 -9.4594 -88.2497 -192.349 166.752 -135.61 -114.278 PRESSAVG: 926600 -12.6623 -45.2834 32.4107 -45.2834 34.6225 21.5492 32.4107 21.5492 -85.571 GPRESSAVG: 926600 -12.4016 -45.5982 32.6492 -45.2763 34.4994 20.197 33.1797 22.8858 -85.9492 TIMING: 926600 CPU: 2684.44, 0.00290391/step Wall: 2684.44, 0.00290391/step, 3.28578 hours remaining, 207.656250 MB of memory in use. ENERGY: 926600 781.4792 2114.8154 1948.6229 122.8967 -206084.0429 17665.8428 0.0000 0.0000 34348.1912 -149102.1947 299.9713 -183450.3858 -149015.5955 300.3252 -179.3088 -144.0332 557364.9551 -21.2036 -21.2838 PRESSURE: 926800 -5.53769 -17.5472 -67.5394 -17.5471 -108.624 188.63 -67.5398 188.63 -129.598 GPRESSURE: 926800 -41.1127 -2.63965 -94.757 -50.8347 -41.1194 183.632 -39.5236 196.885 -72.6509 PRESSAVG: 926800 -8.89243 24.3323 -39.8706 24.3323 71.9083 -19.4158 -39.8705 -19.4159 -49.2626 GPRESSAVG: 926800 -7.8048 23.1127 -40.864 24.2581 70.6184 -19.0303 -41.199 -18.8325 -48.8901 TIMING: 926800 CPU: 2685.02, 0.00291035/step Wall: 2685.02, 0.00291035/step, 3.2929 hours remaining, 207.656250 MB of memory in use. ENERGY: 926800 705.6287 2059.7008 1941.7347 102.6911 -205896.6519 17664.8127 0.0000 0.0000 34268.4235 -149153.6603 299.2747 -183422.0838 -149056.0957 299.7929 -81.2531 -51.6277 557935.7559 4.5844 4.6412 PRESSURE: 927000 -244.377 -152.688 27.9831 -152.687 -104.075 184.095 27.9844 184.095 -293.355 GPRESSURE: 927000 -200.444 -78.6813 79.3373 -232.427 -90.1771 128.149 -3.35159 162.127 -248.733 PRESSAVG: 927000 55.7931 -56.3795 -10.3677 -56.3795 -69.0369 22.1775 -10.3677 22.1775 27.4076 GPRESSAVG: 927000 55.3148 -57.5597 -7.46927 -53.1634 -68.7142 23.2478 -10.1114 21.4294 27.1883 TIMING: 927000 CPU: 2685.6, 0.0028965/step Wall: 2685.6, 0.0028965/step, 3.27707 hours remaining, 207.656250 MB of memory in use. ENERGY: 927000 748.7974 2083.5198 1956.2626 116.3435 -205650.2632 17434.1521 0.0000 0.0000 34069.7323 -149241.4555 297.5394 -183311.1877 -149145.8989 299.6676 -213.9358 -179.7848 556476.4528 4.7213 4.5963 PRESSURE: 927200 -254.026 40.9414 62.4886 40.9404 206.527 -94.8383 62.4901 -94.8368 101.559 GPRESSURE: 927200 -273.413 93.3695 78.1042 25.3595 281.48 -76.2931 35.0093 -89.1152 130.641 PRESSAVG: 927200 -53.2805 0.195325 3.94456 0.195304 52.6976 28.486 3.94461 28.4861 -22.5671 GPRESSAVG: 927200 -52.3283 1.59378 2.61675 -3.77387 52.7914 27.7419 4.32059 29.0491 -23.1397 TIMING: 927200 CPU: 2686.18, 0.00290309/step Wall: 2686.18, 0.00290309/step, 3.28436 hours remaining, 207.656250 MB of memory in use. ENERGY: 927200 736.2627 2119.6031 1954.6500 122.6260 -205859.6475 17732.6757 0.0000 0.0000 34245.9536 -148947.8764 299.0784 -183193.8301 -148859.1344 299.3787 18.0198 46.2363 558134.2604 -7.7167 -7.5589 PRESSURE: 927400 123.329 78.6354 50.6264 78.6351 382.788 54.9498 50.6267 54.9491 -283.701 GPRESSURE: 927400 148.321 91.1308 40.9223 12.2962 392.921 -25.97 86.4165 12.7337 -218.035 PRESSAVG: 927400 -1.07701 32.1073 40.6628 32.1073 -22.3056 43.8928 40.6629 43.8929 -18.6081 GPRESSAVG: 927400 -2.54746 31.5575 40.9811 35.2679 -21.5019 43.9592 40.7113 43.3264 -18.1729 TIMING: 927400 CPU: 2686.76, 0.00288412/step Wall: 2686.76, 0.00288412/step, 3.26274 hours remaining, 207.656250 MB of memory in use. ENERGY: 927400 725.3781 2067.2279 1951.2749 96.9967 -206313.0899 17891.9314 0.0000 0.0000 34420.0340 -149160.2468 300.5987 -183580.2809 -149059.6377 299.3001 74.1387 107.7355 558125.9814 -13.9969 -14.0741 PRESSURE: 927600 356.206 -71.8239 47.7854 -71.8248 -95.0259 55.443 47.7859 55.4441 74.6721 GPRESSURE: 927600 354.869 -107.251 24.3049 -75.8527 -66.6023 52.1828 87.4112 63.932 153.232 PRESSAVG: 927600 -37.0141 -8.25951 18.1693 -8.25954 41.799 26.2092 18.1692 26.2093 -27.4653 GPRESSAVG: 927600 -36.7432 -8.88635 16.816 -8.7054 40.7571 28.4735 20.9972 25.8656 -26.2687 TIMING: 927600 CPU: 2687.34, 0.0028888/step Wall: 2687.34, 0.0028888/step, 3.26788 hours remaining, 207.656250 MB of memory in use. ENERGY: 927600 762.9204 2073.7215 1952.5809 109.6901 -206244.3611 17977.5426 0.0000 0.0000 34312.7411 -149055.1645 299.6617 -183367.9056 -148955.9228 299.0868 111.9506 147.1662 556430.7392 -7.5601 -7.4183 PRESSURE: 927800 -40.4717 99.4604 -1.65036 99.4606 -63.4114 63.2147 -1.65009 63.2141 -101.93 GPRESSURE: 927800 -27.5205 128.213 7.34572 37.9386 -4.94373 97.7308 -47.2716 28.4805 -68.1482 PRESSAVG: 927800 24.4443 -41.4536 -2.60084 -41.4537 54.0463 1.60483 -2.60081 1.60484 -14.3907 GPRESSAVG: 927800 25.3695 -41.4191 -0.708678 -42.151 53.4823 0.659519 -3.85149 1.04305 -14.7665 TIMING: 927800 CPU: 2687.91, 0.00288851/step Wall: 2687.91, 0.00288851/step, 3.26739 hours remaining, 207.656250 MB of memory in use. ENERGY: 927800 721.4536 2098.2966 1972.3853 126.8039 -205814.9320 17572.9079 0.0000 0.0000 34114.6321 -149208.4526 297.9316 -183323.0847 -149114.7523 299.3234 -68.6044 -33.5375 556906.2360 21.3666 21.3618 PRESSURE: 928000 -51.9582 -36.8805 -101.723 -36.8805 53.2641 65.2301 -101.721 65.2285 -130.306 GPRESSURE: 928000 -10.6564 -2.43737 -6.15609 -86.6919 62.401 10.8265 -154.64 143.359 -83.1372 PRESSAVG: 928000 15.4841 28.7251 -47.1905 28.7252 -40.258 78.9502 -47.1905 78.9503 43.3212 GPRESSAVG: 928000 15.872 30.2241 -48.5491 29.2919 -39.4819 78.2568 -46.6089 81.5649 42.2924 TIMING: 928000 CPU: 2688.49, 0.00289517/step Wall: 2688.49, 0.00289517/step, 3.27476 hours remaining, 207.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 928000 755.3551 2083.9682 1941.4443 117.3123 -205882.2422 17539.5047 0.0000 0.0000 34227.0825 -149217.5749 298.9136 -183444.6574 -149123.4808 298.7675 -43.0000 -10.4642 556049.5240 6.1824 6.2275 PRESSURE: 928200 127.564 -63.7922 -83.625 -63.792 93.617 172.433 -83.6242 172.433 -146.292 GPRESSURE: 928200 188.224 -154.91 -90.8641 -54.5111 65.7425 155.989 24.5184 166.593 -73.8098 PRESSAVG: 928200 62.9439 71.0912 7.81686 71.0912 17.0485 16.3858 7.81686 16.3858 -65.1668 GPRESSAVG: 928200 62.5316 68.5751 8.97035 72.8718 17.4317 15.1316 6.90239 14.1497 -64.9716 TIMING: 928200 CPU: 2689.07, 0.00288773/step Wall: 2689.07, 0.00288773/step, 3.26619 hours remaining, 207.656250 MB of memory in use. ENERGY: 928200 778.3537 2082.6919 1954.3888 98.1202 -205935.8124 17833.9135 0.0000 0.0000 34019.1312 -149169.2132 297.0975 -183188.3444 -149075.1857 298.4099 24.9631 60.0523 556386.4649 4.9419 4.9972 LDB: ============= START OF LOAD BALANCING ============== 2692.46 LDB: ============== END OF LOAD BALANCING =============== 2692.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2692.46 LDB: ============= START OF LOAD BALANCING ============== 2692.75 LDB: Largest compute 4820 load 0.027178 is 23.0% of average load 0.117941 LDB: Average compute 0.001715 is 1.5% of average load 0.117941 LDB: TIME 2692.76 LOAD: AVG 0.117941 MAX 0.188969 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.758 MB LDB: TIME 2692.76 LOAD: AVG 0.117941 MAX 0.188969 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.961 MB LDB: TIME 2692.76 LOAD: AVG 0.117941 MAX 0.188969 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2692.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2692.76 PRESSURE: 928400 -76.772 -132.013 133.445 -132.014 -160.893 12.1684 133.446 12.1684 -117.625 GPRESSURE: 928400 -17.8326 -100.799 252.917 -65.1645 -119.983 39.7448 -76.3044 56.8272 -120.407 PRESSAVG: 928400 14.8621 -22.8349 36.3366 -22.8349 -25.9315 5.53985 36.3366 5.53986 10.8465 GPRESSAVG: 928400 15.4628 -22.6529 35.0243 -25.2054 -25.8162 7.50682 35.6437 6.39765 9.62521 TIMING: 928400 CPU: 2689.67, 0.00298637/step Wall: 2689.67, 0.00298637/step, 3.37759 hours remaining, 206.757812 MB of memory in use. ENERGY: 928400 739.8139 2091.9611 1944.3545 110.0670 -206440.5191 17752.0975 0.0000 0.0000 34366.4501 -149435.7750 300.1308 -183802.2251 -149335.3963 298.6904 -118.4298 -86.0740 556892.9040 -0.0743 -0.2427 PRESSURE: 928600 45.2823 34.2582 10.5579 34.2575 -53.5943 -41.3197 10.5583 -41.3204 -146.798 GPRESSURE: 928600 33.8507 19.3096 82.916 43.3735 10.9684 8.80129 -25.8558 -7.91537 -115.775 PRESSAVG: 928600 -37.4444 25.0948 20.7081 25.0949 -59.3379 39.1027 20.7081 39.1026 72.8681 GPRESSAVG: 928600 -39.2809 23.5735 21.2313 27.2213 -60.3984 37.1522 20.6768 40.3075 75.5195 TIMING: 928600 CPU: 2690.25, 0.00291674/step Wall: 2690.25, 0.00291674/step, 3.29867 hours remaining, 207.015625 MB of memory in use. ENERGY: 928600 718.9281 2102.6445 1916.0233 109.4522 -206236.5142 17800.4956 0.0000 0.0000 34218.2703 -149370.7003 298.8367 -183588.9705 -149274.6431 298.6991 -51.7035 -23.6519 557470.8123 -7.9714 -8.0533 PRESSURE: 928800 -22.4287 -57.4718 -89.5437 -57.4717 5.25431 -4.4387 -89.5433 -4.44057 37.7871 GPRESSURE: 928800 -10.0279 -46.1505 -62.826 0.127792 62.7163 59.4781 -113.366 -82.4139 63.6648 PRESSAVG: 928800 -17.1452 -31.2066 43.7603 -31.2066 23.4553 -20.7375 43.7603 -20.7374 -30.8101 GPRESSAVG: 928800 -16.1184 -26.0001 43.2985 -35.4301 23.5512 -22.6003 45.2799 -20.3716 -31.7217 TIMING: 928800 CPU: 2690.83, 0.00287967/step Wall: 2690.83, 0.00287967/step, 3.25658 hours remaining, 207.015625 MB of memory in use. ENERGY: 928800 743.7617 2108.9363 1932.0259 108.9713 -205921.5699 17644.5500 0.0000 0.0000 34116.6034 -149266.7213 297.9488 -183383.3247 -149168.8173 298.4472 6.8709 38.7844 555856.0330 -8.1667 -8.0963 PRESSURE: 929000 30.2723 105.196 -42.1507 105.195 187.161 135.938 -42.1527 135.938 -51.6221 GPRESSURE: 929000 39.4165 44.7334 29.5169 77.1288 198.834 95.0097 -109.359 222.914 26.5178 PRESSAVG: 929000 -12.6053 23.2149 10.0413 23.2148 43.0388 47.1069 10.0413 47.1069 23.1441 GPRESSAVG: 929000 -12.4367 22.7621 10.7897 25.3677 43.5905 49.8341 8.20189 47.4528 23.0486 TIMING: 929000 CPU: 2691.4, 0.00287645/step Wall: 2691.4, 0.00287645/step, 3.25279 hours remaining, 207.015625 MB of memory in use. ENERGY: 929000 697.4797 2117.8496 1904.2503 111.2904 -205833.2493 17553.3453 0.0000 0.0000 34287.2371 -149161.7968 299.4390 -183449.0339 -149066.9828 299.8183 55.2706 88.2559 555850.9485 17.8592 18.0675 PRESSURE: 929200 -417.793 -28.6349 60.547 -28.6353 -35.4551 30.558 60.5476 30.5608 -23.7524 GPRESSURE: 929200 -353.05 -3.14014 125.232 -96.4645 10.8177 121.431 7.7865 -0.798535 -36.7423 PRESSAVG: 929200 11.1081 57.4542 10.7943 57.4541 20.2083 0.642148 10.7943 0.642204 12.2569 GPRESSAVG: 929200 10.6923 56.2335 10.1194 56.7245 19.3798 1.42578 13.114 -2.48482 14.156 TIMING: 929200 CPU: 2691.98, 0.00289492/step Wall: 2691.98, 0.00289492/step, 3.27351 hours remaining, 207.015625 MB of memory in use. ENERGY: 929200 730.7787 2100.1910 1947.7198 110.1853 -205725.3550 17559.5558 0.0000 0.0000 34123.4125 -149153.5119 298.0082 -183276.9244 -149056.9494 299.3693 -159.0003 -126.3249 557751.8711 14.5244 14.7427 PRESSURE: 929400 195.163 202.354 26.7888 202.353 -109.224 -67.4659 26.7889 -67.4679 -25.48 GPRESSURE: 929400 190.7 117.383 -6.97683 206.052 -14.7595 -50.7993 56.6409 -132.303 2.08419 PRESSAVG: 929400 35.5063 9.4388 66.2157 9.43876 -43.3868 -13.5433 66.2157 -13.5433 -5.21029 GPRESSAVG: 929400 36.1241 9.03191 66.3249 10.5482 -43.0672 -14.3693 63.6456 -12.3713 -5.91755 TIMING: 929400 CPU: 2692.56, 0.00290857/step Wall: 2692.56, 0.00290857/step, 3.28878 hours remaining, 207.015625 MB of memory in use. ENERGY: 929400 740.9334 2099.6523 1928.1849 119.9708 -206021.3975 17871.5812 0.0000 0.0000 34234.1654 -149026.9095 298.9755 -183261.0749 -148930.2314 299.7234 20.1531 59.3416 557887.0860 -4.3636 -4.2869 PRESSURE: 929600 -39.3167 63.8113 120.866 63.811 -40.2071 -161.2 120.866 -161.199 -81.2569 GPRESSURE: 929600 -47.7993 22.4559 118.14 3.72594 -3.38468 -94.5242 147.954 -171.632 -10.9121 PRESSAVG: 929600 7.48661 63.4731 45.9291 63.4731 -14.1046 46.8494 45.9291 46.8493 -41.9763 GPRESSAVG: 929600 7.89042 65.5455 46.7057 63.7864 -15.1147 46.7698 47.076 46.174 -41.6067 TIMING: 929600 CPU: 2693.14, 0.0028852/step Wall: 2693.14, 0.0028852/step, 3.2622 hours remaining, 207.015625 MB of memory in use. ENERGY: 929600 761.1497 2132.2585 1925.1472 117.1883 -205773.7224 17720.2809 0.0000 0.0000 34259.5313 -148858.1664 299.1970 -183117.6978 -148760.7039 300.2285 -53.5935 -20.6987 556511.5062 -16.1981 -16.2770 PRESSURE: 929800 -132.668 55.8268 94.7136 55.8258 -61.4973 -2.33696 94.7136 -2.33803 -142.344 GPRESSURE: 929800 -74.6856 89.9144 156.524 -8.21069 -54.2732 -56.0139 -12.8795 95.7424 -108.775 PRESSAVG: 929800 -9.93103 -0.465915 9.31902 -0.465996 -5.92125 2.21872 9.31908 2.21882 -29.8721 GPRESSAVG: 929800 -10.9698 -2.98954 8.35148 -1.31041 -4.71362 0.683691 9.50714 4.02538 -30.3939 TIMING: 929800 CPU: 2693.72, 0.00288187/step Wall: 2693.72, 0.00288187/step, 3.25828 hours remaining, 207.015625 MB of memory in use. ENERGY: 929800 797.7174 2082.3102 1944.2556 105.9458 -206099.2952 17813.9296 0.0000 0.0000 34344.0740 -149011.0625 299.9353 -183355.1365 -148907.9552 300.4576 -112.1700 -79.2445 557510.7657 -15.2415 -15.3591 PRESSURE: 930000 185.291 -27.728 -0.228665 -27.7289 -94.3386 0.945568 -0.228969 0.945708 -54.5663 GPRESSURE: 930000 246.174 -48.7248 34.7301 1.62979 -45.8697 -78.1335 45.2097 90.3778 -67.5189 PRESSAVG: 930000 -33.8687 10.1552 59.4484 10.1552 19.8423 -31.6321 59.4485 -31.632 42.0025 GPRESSAVG: 930000 -33.4794 9.99284 59.22 11.3231 19.6564 -30.7714 59.631 -33.4776 41.6214 TIMING: 930000 CPU: 2694.29, 0.00286848/step Wall: 2694.29, 0.00286848/step, 3.24298 hours remaining, 207.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 930000 788.5106 2036.5991 1918.9174 115.3458 -206393.5714 17964.6946 0.0000 0.0000 34333.9986 -149235.5053 299.8473 -183569.5039 -149144.6847 299.4548 12.1288 44.2618 556613.5342 9.3254 9.2661 PRESSURE: 930200 114.191 12.5642 22.1283 12.5649 118.709 -182.959 22.1273 -182.959 82.6541 GPRESSURE: 930200 205.461 3.17433 -8.16696 8.28945 152.952 -218.271 31.8953 -186.376 64.6321 PRESSAVG: 930200 -4.39667 30.0264 23.0453 30.0264 11.2953 -33.4063 23.0452 -33.4064 -10.872 GPRESSAVG: 930200 -4.81663 31.5036 24.2536 29.8012 11.4773 -33.202 24.4345 -31.7373 -9.90914 TIMING: 930200 CPU: 2694.87, 0.00289954/step Wall: 2694.87, 0.00289954/step, 3.27793 hours remaining, 207.015625 MB of memory in use. ENERGY: 930200 704.2945 2125.0883 1934.3150 115.9000 -206535.3735 18075.8728 0.0000 0.0000 34326.8968 -149253.0059 299.7853 -183579.9028 -149161.7971 299.7577 105.1844 141.0150 558064.0898 -1.3244 -1.0828 PRESSURE: 930400 -102.711 -117.155 34.0772 -117.154 -114.231 -46.2698 34.0779 -46.2709 -86.9984 GPRESSURE: 930400 -43.0552 -120.85 35.139 -65.4901 -72.9628 -104.262 6.2313 -13.5269 -87.7271 PRESSAVG: 930400 -14.5133 21.19 10.5684 21.1901 32.7306 -20.2894 10.5684 -20.2894 32.9285 GPRESSAVG: 930400 -13.6286 18.5276 10.322 20.7003 32.9668 -20.7607 8.98759 -22.8168 31.9768 TIMING: 930400 CPU: 2695.45, 0.00288876/step Wall: 2695.45, 0.00288876/step, 3.26558 hours remaining, 207.015625 MB of memory in use. ENERGY: 930400 744.7855 2098.5692 1964.9801 112.1423 -206307.1406 17636.7160 0.0000 0.0000 34351.2809 -149398.6667 299.9983 -183749.9476 -149302.2203 299.4406 -101.3133 -67.9150 555939.4926 17.0486 17.1050 PRESSURE: 930600 -50.0731 58.8744 144.477 58.8736 -42.9162 -41.5732 144.478 -41.5735 -39.0929 GPRESSURE: 930600 20.6853 95.4 153.567 -23.776 -34.1759 -104.766 81.6806 22.5309 -20.5353 PRESSAVG: 930600 -25.2215 -20.0042 36.2069 -20.0042 18.0843 21.5336 36.207 21.5337 -21.3579 GPRESSAVG: 930600 -24.7485 -17.2551 36.4152 -21.0499 17.4159 23.7169 36.4688 22.968 -21.3209 TIMING: 930600 CPU: 2696.03, 0.00290719/step Wall: 2696.03, 0.00290719/step, 3.28626 hours remaining, 207.015625 MB of memory in use. ENERGY: 930600 754.1095 2109.4336 1958.2735 109.9427 -206132.2250 17776.3491 0.0000 0.0000 34087.8761 -149336.2405 297.6979 -183424.1166 -149237.1957 299.2493 -44.0274 -11.3419 557777.8673 -9.4984 -9.5512 PRESSURE: 930800 -205.309 71.3062 3.85213 71.3062 -181.769 -154.962 3.85357 -154.962 -148.286 GPRESSURE: 930800 -217.473 145.145 44.9263 -18.1278 -152.969 -150.116 5.13049 -94.6627 -71.9537 PRESSAVG: 930800 15.906 37.1822 13.1985 37.1823 22.7619 85.0797 13.1985 85.0796 -59.2457 GPRESSAVG: 930800 14.3959 36.0255 12.1686 38.331 25.1089 81.858 13.2431 85.6202 -59.6366 TIMING: 930800 CPU: 2696.61, 0.00291127/step Wall: 2696.61, 0.00291127/step, 3.2907 hours remaining, 207.015625 MB of memory in use. ENERGY: 930800 721.8913 2058.2351 1953.4401 114.6848 -205720.4153 17337.4474 0.0000 0.0000 34174.7977 -149359.9189 298.4570 -183534.7166 -149267.3348 298.6995 -178.4547 -147.4654 555753.5206 -6.8593 -6.7106 PRESSURE: 931000 -7.19826 -70.8 39.8279 -70.8011 79.4508 -53.1443 39.8286 -53.1466 -106.578 GPRESSURE: 931000 13.858 -158.019 -51.9077 -23.0889 131.648 -14.3443 13.7412 -15.5606 -66.3723 PRESSAVG: 931000 75.1406 0.555788 -24.9082 0.555804 31.0904 1.36513 -24.9081 1.36498 -78.5593 GPRESSAVG: 931000 75.3177 -0.154362 -25.3295 0.779871 30.0827 1.47716 -23.7767 1.29804 -77.2798 TIMING: 931000 CPU: 2697.19, 0.00291807/step Wall: 2697.19, 0.00291807/step, 3.29823 hours remaining, 207.015625 MB of memory in use. ENERGY: 931000 727.9547 2080.7336 1946.1106 109.4389 -206309.3073 17872.3514 0.0000 0.0000 34293.3880 -149279.3301 299.4927 -183572.7181 -149173.7266 298.6355 -11.4417 26.3780 556859.2512 9.2239 9.3735 PRESSURE: 931200 38.3542 -39.6602 -53.4419 -39.6612 -64.7147 -97.2712 -53.4428 -97.2704 -318.422 GPRESSURE: 931200 79.6451 -48.9257 -80.2118 -53.4452 -53.3874 -139.605 19.3457 7.0813 -280.663 PRESSAVG: 931200 5.13536 -73.6886 21.9071 -73.6887 33.0882 3.85648 21.9072 3.8564 -32.5332 GPRESSAVG: 931200 5.44579 -72.4756 21.1981 -74.6719 32.3959 4.4011 21.3814 4.14009 -32.1858 TIMING: 931200 CPU: 2697.77, 0.00288822/step Wall: 2697.77, 0.00288822/step, 3.26433 hours remaining, 207.015625 MB of memory in use. ENERGY: 931200 761.1843 2125.6378 1962.4097 106.9632 -206274.4249 17618.2552 0.0000 0.0000 34492.9018 -149207.0729 301.2351 -183699.9747 -149115.0163 299.5662 -114.9277 -84.8017 556350.3566 1.8968 1.8853 PRESSURE: 931400 -225.977 33.3623 -7.59213 33.3624 40.6044 91.2309 -7.59209 91.2308 -377.9 GPRESSURE: 931400 -198.647 76.7626 -38.1274 14.5108 59.2756 97.4525 -43.4289 72.9907 -323.737 PRESSAVG: 931400 53.5234 -36.3291 10.1898 -36.3291 -22.2345 -85.0088 10.1898 -85.0087 6.42195 GPRESSAVG: 931400 54.1068 -36.3293 10.3441 -36.4171 -22.6161 -83.7995 10.8625 -87.2066 6.48898 TIMING: 931400 CPU: 2698.36, 0.00291787/step Wall: 2698.36, 0.00291787/step, 3.29768 hours remaining, 207.015625 MB of memory in use. ENERGY: 931400 757.5038 2079.4338 1950.5428 119.2502 -206121.9503 17618.6774 0.0000 0.0000 34458.4714 -149138.0708 300.9344 -183596.5422 -149048.6206 300.0445 -187.7576 -154.3696 557325.1216 12.5703 12.6599 PRESSURE: 931600 23.1052 49.3364 -209.447 49.337 -107.79 188.626 -209.446 188.625 -163.329 GPRESSURE: 931600 -9.50697 139.688 -74.3619 -113.343 -38.1048 192.983 -276.823 76.9092 -106.743 PRESSAVG: 931600 -11.4218 36.6894 6.95286 36.6894 -32.2964 -18.2646 6.95293 -18.2647 21.0082 GPRESSAVG: 931600 -11.9714 35.5541 8.52411 36.5542 -31.4773 -19.7849 5.41086 -17.5987 21.1323 TIMING: 931600 CPU: 2698.94, 0.00290106/step Wall: 2698.94, 0.00290106/step, 3.27852 hours remaining, 207.015625 MB of memory in use. ENERGY: 931600 755.5109 2135.7072 1921.1299 102.2321 -206076.9593 17661.0976 0.0000 0.0000 34245.5739 -149255.7077 299.0751 -183501.2817 -149153.9017 299.7475 -82.6713 -51.4515 556688.8494 -7.5700 -7.4388 PRESSURE: 931800 68.183 27.0661 126.774 27.0666 -173.941 63.8641 126.775 63.8636 -30.431 GPRESSURE: 931800 53.3395 -4.15271 145.99 48.7027 -97.2351 110.226 101.165 92.0064 1.8598 PRESSAVG: 931800 -6.16837 -10.7267 26.5702 -10.7267 -56.5435 9.47959 26.5701 9.47955 93.0618 GPRESSAVG: 931800 -6.16963 -10.7742 24.9667 -10.2603 -55.2503 10.0555 26.7996 10.0069 92.915 TIMING: 931800 CPU: 2699.52, 0.00289883/step Wall: 2699.52, 0.00289883/step, 3.27584 hours remaining, 207.015625 MB of memory in use. ENERGY: 931800 733.3813 2104.5900 1926.2025 123.3730 -206305.7980 17700.3489 0.0000 0.0000 34258.2936 -149459.6087 299.1862 -183717.9023 -149363.5914 299.6844 -45.3964 -14.0119 557246.9828 10.1166 10.4984 PRESSURE: 932000 -28.1229 32.4145 55.2634 32.4145 -194.511 152.638 55.2627 152.637 125.245 GPRESSURE: 932000 -23.5606 31.7055 20.101 62.6857 -169.029 225.635 44.4652 78.0127 184.99 PRESSAVG: 932000 -21.6004 9.15944 11.1249 9.15926 19.1258 36.342 11.1248 36.342 -3.35634 GPRESSAVG: 932000 -21.2541 11.4184 12.8142 7.7903 19.85 35.7303 10.7297 35.6378 -4.86872 TIMING: 932000 CPU: 2700.1, 0.00290899/step Wall: 2700.1, 0.00290899/step, 3.28715 hours remaining, 207.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 932000 767.0778 2117.8223 1931.5812 113.1006 -206769.6548 18111.7301 0.0000 0.0000 34208.4834 -149519.8594 298.7512 -183728.3428 -149426.1690 298.5139 -32.4630 -2.5333 558015.2690 -1.9437 -2.0909 PRESSURE: 932200 -26.472 -25.6952 -10.9361 -25.6952 -84.3474 52.9922 -10.9365 52.9935 29.0702 GPRESSURE: 932200 74.7119 -51.4032 77.139 -79.2909 -92.7795 -7.51095 36.1408 48.9437 26.4085 PRESSAVG: 932200 18.8404 -22.2279 -6.82031 -22.228 -54.3301 20.2984 -6.82036 20.2984 51.4296 GPRESSAVG: 932200 18.9394 -22.1537 -8.74228 -22.5032 -55.8091 20.8936 -5.2839 19.1891 52.8921 TIMING: 932200 CPU: 2700.68, 0.00288662/step Wall: 2700.68, 0.00288662/step, 3.26172 hours remaining, 207.015625 MB of memory in use. ENERGY: 932200 724.8180 2048.2880 1982.4265 112.4913 -206079.6790 17763.3511 0.0000 0.0000 34102.0098 -149346.2944 297.8213 -183448.3042 -149246.7483 298.6297 -27.2497 2.7803 558178.5623 5.3133 5.3408 LDB: ============= START OF LOAD BALANCING ============== 2704.06 LDB: ============== END OF LOAD BALANCING =============== 2704.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2704.06 LDB: ============= START OF LOAD BALANCING ============== 2704.35 LDB: Largest compute 4820 load 0.027454 is 23.3% of average load 0.117999 LDB: Average compute 0.001715 is 1.5% of average load 0.117999 LDB: TIME 2704.35 LOAD: AVG 0.117999 MAX 0.18466 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 2704.35 LOAD: AVG 0.117999 MAX 0.18466 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 2704.35 LOAD: AVG 0.117999 MAX 0.18466 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2704.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2704.36 PRESSURE: 932400 85.7443 -58.942 -37.547 -58.9411 -149.377 190.572 -37.5479 190.573 -229.788 GPRESSURE: 932400 173.026 -22.6155 -144.083 -63.3211 -188.537 126.392 -2.77708 167.481 -185.893 PRESSAVG: 932400 53.6737 -26.607 3.1057 -26.607 -64.8853 83.08 3.10566 83.0799 18.641 GPRESSAVG: 932400 53.7203 -27.3 4.31469 -25.9183 -65.1811 80.4188 1.2666 85.1828 18.2256 TIMING: 932400 CPU: 2701.26, 0.00293067/step Wall: 2701.26, 0.00293067/step, 3.31134 hours remaining, 206.746094 MB of memory in use. ENERGY: 932400 704.4042 2098.1525 1951.2219 110.8500 -206329.1540 17772.7530 0.0000 0.0000 34290.0086 -149401.7638 299.4632 -183691.7724 -149305.3968 299.2310 -97.8070 -67.1346 557636.2406 2.4765 2.2549 PRESSURE: 932600 -26.7292 -62.9204 -1.06039 -62.9202 -177.796 96.6224 -1.06166 96.6205 -99.8965 GPRESSURE: 932600 -9.148 -103.283 33.0803 -125.697 -140.391 64.6749 12.312 87.5596 -56.5655 PRESSAVG: 932600 -1.08572 -24.9066 -0.470343 -24.9065 -18.1548 63.3001 -0.470341 63.3002 -17.9875 GPRESSAVG: 932600 -2.95176 -26.1766 -0.657059 -23.1151 -17.2532 66.7843 0.404333 61.6772 -17.0727 TIMING: 932600 CPU: 2701.84, 0.00288336/step Wall: 2701.84, 0.00288336/step, 3.25772 hours remaining, 206.746094 MB of memory in use. ENERGY: 932600 770.5994 2121.5480 1940.7544 109.7477 -206354.9318 17688.2969 0.0000 0.0000 34097.2161 -149626.7693 297.7795 -183723.9854 -149535.3685 298.7447 -101.4739 -68.7016 556879.0665 -12.4093 -12.4259 PRESSURE: 932800 16.9536 -142.607 9.76505 -142.607 13.1522 40.4666 9.76578 40.4676 -40.5837 GPRESSURE: 932800 42.6398 -111.705 38.0741 -111.399 37.4899 24.7672 34.9047 -53.997 5.85827 PRESSAVG: 932800 -8.21895 -21.0799 0.743697 -21.0799 -20.2529 37.9138 0.743646 37.9137 44.4669 GPRESSAVG: 932800 -7.00064 -19.9552 0.73885 -23.6026 -21.4937 36.031 1.25641 37.7916 44.1393 TIMING: 932800 CPU: 2702.42, 0.00290012/step Wall: 2702.42, 0.00290012/step, 3.2765 hours remaining, 206.746094 MB of memory in use. ENERGY: 932800 748.4094 2142.4558 1940.4085 109.2941 -206409.5256 17730.1605 0.0000 0.0000 34062.8689 -149675.9283 297.4795 -183738.7973 -149583.2800 297.5219 -3.4927 28.6626 556804.8335 5.3317 5.2150 PRESSURE: 933000 77.0179 -145.1 34.5906 -145.101 -279.527 35.9183 34.5906 35.9194 -47.003 GPRESSURE: 933000 142.658 -90.7047 28.1718 -154.906 -229.847 57.026 88.8527 26.1877 -55.6014 PRESSAVG: 933000 28.4775 -10.0409 -15.8184 -10.0409 -15.3343 -68.3282 -15.8184 -68.3282 -6.99967 GPRESSAVG: 933000 28.1916 -8.95303 -15.4817 -7.0068 -14.4698 -68.9261 -15.8429 -67.5341 -7.62974 TIMING: 933000 CPU: 2703, 0.00290643/step Wall: 2703, 0.00290643/step, 3.28346 hours remaining, 206.746094 MB of memory in use. ENERGY: 933000 753.4362 2090.4715 1948.2437 116.6283 -206355.8754 17632.4873 0.0000 0.0000 34161.0033 -149653.6051 298.3365 -183814.6084 -149552.1984 297.9438 -83.1708 -47.5967 556533.7630 2.0479 2.0307 PRESSURE: 933200 229.198 75.8199 126.949 75.8207 -144.321 43.3755 126.95 43.377 -69.0717 GPRESSURE: 933200 228.345 112.338 110.202 57.3523 -51.8067 -2.94941 151.755 128.808 -61.26 PRESSAVG: 933200 -21.7096 -27.4923 62.7694 -27.4924 -5.02365 -47.4688 62.7694 -47.4688 -4.37002 GPRESSAVG: 933200 -21.9104 -29.2005 62.9749 -27.5507 -4.99472 -48.8579 62.3514 -46.4713 -4.37197 TIMING: 933200 CPU: 2703.58, 0.00289788/step Wall: 2703.58, 0.00289788/step, 3.27364 hours remaining, 206.746094 MB of memory in use. ENERGY: 933200 777.4193 2201.2046 1914.3414 113.4863 -206939.6350 18184.1383 0.0000 0.0000 34219.7638 -149529.2812 298.8497 -183749.0451 -149430.3502 298.1232 5.2684 38.4261 556868.4113 -10.3678 -10.4257 PRESSURE: 933400 211.826 -59.7547 -37.4994 -59.7538 117.834 55.811 -37.5008 55.8098 34.2505 GPRESSURE: 933400 253.914 -171.201 -84.3528 10.9146 180.232 71.2791 -8.94183 94.1857 22.5574 PRESSAVG: 933400 -1.8587 -17.9495 70.1468 -17.9495 -2.41557 -58.9746 70.1469 -58.9746 -0.00335831 GPRESSAVG: 933400 -1.23137 -16.6592 68.6869 -21.5895 -2.29413 -56.6422 70.276 -60.1091 -1.16711 TIMING: 933400 CPU: 2704.16, 0.00290645/step Wall: 2704.16, 0.00290645/step, 3.28316 hours remaining, 206.746094 MB of memory in use. ENERGY: 933400 726.0242 2146.9182 1960.5689 106.5774 -206560.7232 17876.0364 0.0000 0.0000 34200.9320 -149543.6660 298.6852 -183744.5980 -149448.1721 298.4486 121.3035 152.2346 554745.4639 -1.4259 -1.5642 PRESSURE: 933600 121.437 -85.6873 -38.8265 -85.687 -161.64 -51.4677 -38.8269 -51.4668 -33.3098 GPRESSURE: 933600 137.791 7.70648 -65.9005 -89.1927 -104.496 -101.656 27.3226 -31.0925 -12.7553 PRESSAVG: 933600 -22.3169 -22.7152 10.8373 -22.7153 33.7495 -17.7516 10.8373 -17.7515 7.5817 GPRESSAVG: 933600 -22.3798 -23.2647 11.0014 -20.9014 33.7263 -19.2696 11.8904 -17.3966 7.7247 TIMING: 933600 CPU: 2704.74, 0.00289874/step Wall: 2704.74, 0.00289874/step, 3.27428 hours remaining, 206.746094 MB of memory in use. ENERGY: 933600 787.5425 2056.2403 1980.1426 114.0884 -206576.2240 17989.9959 0.0000 0.0000 34184.2136 -149464.0006 298.5392 -183648.2143 -149374.2978 298.2920 -24.5041 6.8466 557062.5909 6.3381 6.3571 PRESSURE: 933800 195.51 -44.3097 94.7413 -44.31 52.0128 -53.8369 94.7416 -53.8372 273.734 GPRESSURE: 933800 219.627 -52.6352 155.943 -83.2258 80.271 -24.2313 72.2969 -150.873 330.933 PRESSAVG: 933800 -25.8683 -39.9382 61.9511 -39.9383 -9.81348 4.64932 61.9512 4.64944 28.104 GPRESSAVG: 933800 -26.749 -39.2629 63.0353 -40.2695 -10.0177 3.19659 61.6377 6.20157 28.9842 TIMING: 933800 CPU: 2705.32, 0.00288127/step Wall: 2705.32, 0.00288127/step, 3.25439 hours remaining, 206.746094 MB of memory in use. ENERGY: 933800 751.3961 2098.8428 1930.1363 114.1285 -206873.6242 18261.6464 0.0000 0.0000 34168.3432 -149549.1309 298.4006 -183717.4741 -149451.4003 297.8382 173.7520 210.2770 556048.4692 -2.5259 -2.5942 PRESSURE: 934000 -325.305 -40.5683 26.0938 -40.5676 -350.83 -159.464 26.0941 -159.465 -214.525 GPRESSURE: 934000 -306.089 34.6341 21.2386 -27.4136 -278.498 -152.79 25.7885 -85.2794 -211.579 PRESSAVG: 934000 -6.25499 -55.2117 32.3182 -55.2117 -11.6271 -29.1449 32.3183 -29.145 68.4969 GPRESSAVG: 934000 -5.93862 -57.7342 33.135 -55.2106 -12.0109 -26.5568 32.7287 -32.1937 68.8563 TIMING: 934000 CPU: 2705.89, 0.00289417/step Wall: 2705.89, 0.00289417/step, 3.2688 hours remaining, 206.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 934000 747.3255 2113.8383 1963.3814 130.2364 -206039.2562 17372.1456 0.0000 0.0000 34231.0166 -149481.3125 298.9480 -183712.3291 -149387.7445 298.2584 -296.8865 -265.3885 558514.8007 16.8716 16.9689 PRESSURE: 934200 -131.247 -141.176 -175.795 -141.175 16.8622 53.9949 -175.795 53.9953 -152.074 GPRESSURE: 934200 -131.256 -196.445 -167.638 -102.973 28.122 81.2781 1.20831 77.896 -54.123 PRESSAVG: 934200 -26.3065 -19.5939 20.185 -19.5939 19.4146 -25.8856 20.1849 -25.8856 2.14306 GPRESSAVG: 934200 -26.0727 -18.4715 20.7992 -17.4054 20.2418 -25.3951 19.609 -25.7358 1.72309 TIMING: 934200 CPU: 2706.47, 0.00289863/step Wall: 2706.47, 0.00289863/step, 3.27368 hours remaining, 206.988281 MB of memory in use. ENERGY: 934200 745.1214 2112.3685 1949.4023 112.9385 -206370.6482 17778.9800 0.0000 0.0000 34277.3998 -149394.4378 299.3531 -183671.8375 -149300.5822 298.1330 -88.8195 -52.4190 556953.2303 -1.5829 -1.3693 PRESSURE: 934400 169.121 -103.344 124.025 -103.344 258.947 39.2926 124.025 39.2926 123.22 GPRESSURE: 934400 240.83 -105.89 70.6102 24.3921 293.439 -34.3131 139.764 35.6398 108.55 PRESSAVG: 934400 -25.5079 11.8338 28.5249 11.8338 5.09137 34.8086 28.5249 34.8086 -16.6734 GPRESSAVG: 934400 -24.8525 11.2443 28.3891 11.8502 4.85134 33.4739 27.9253 37.728 -17.0361 TIMING: 934400 CPU: 2707.06, 0.00290822/step Wall: 2707.06, 0.00290822/step, 3.28436 hours remaining, 206.988281 MB of memory in use. ENERGY: 934400 739.8339 2069.1704 1931.3734 115.4453 -206336.9482 18007.5324 0.0000 0.0000 34231.9818 -149241.6109 298.9564 -183473.5927 -149148.0346 298.9790 183.7624 214.2731 555496.1808 -12.3633 -12.3458 PRESSURE: 934600 160.48 89.0562 -12.8998 89.057 102.42 -66.361 -12.9 -66.3605 547.952 GPRESSURE: 934600 228.982 112.576 -6.52034 112.384 98.1245 -94.3751 30.032 -35.5119 568.361 PRESSAVG: 934600 -28.0168 -39.4487 3.13938 -39.4486 -11.406 39.6447 3.13932 39.6445 55.3831 GPRESSAVG: 934600 -27.6796 -40.0666 2.30668 -39.9226 -10.9946 39.1387 2.87716 38.5884 55.0149 TIMING: 934600 CPU: 2707.64, 0.00290813/step Wall: 2707.64, 0.00290813/step, 3.28408 hours remaining, 206.988281 MB of memory in use. ENERGY: 934600 742.8619 2054.2158 1933.9814 117.0776 -207086.8871 18413.3350 0.0000 0.0000 34506.8895 -149318.5259 301.3572 -183825.4154 -149228.4157 299.1883 270.2841 298.4893 555860.6611 5.3201 5.4469 PRESSURE: 934800 55.7577 16.234 98.1151 16.2346 92.7475 174.084 98.117 174.083 85.5823 GPRESSURE: 934800 93.3 14.3658 32.0779 51.3351 129.073 136.101 15.2983 95.102 96.6666 PRESSAVG: 934800 -35.2716 -48.6821 16.1346 -48.6821 -39.1129 -22.8912 16.1347 -22.8911 91.095 GPRESSAVG: 934800 -35.4074 -46.644 14.7655 -48.2068 -39.3842 -23.6546 16.8201 -20.0511 90.9033 TIMING: 934800 CPU: 2708.22, 0.0029027/step Wall: 2708.22, 0.0029027/step, 3.2778 hours remaining, 206.988281 MB of memory in use. ENERGY: 934800 773.8272 2059.1792 1940.3384 112.8502 -206320.3709 17896.4083 0.0000 0.0000 34032.5948 -149505.1728 297.2151 -183537.7677 -149408.8402 298.7671 78.0292 106.3464 558257.4020 5.5702 5.3706 PRESSURE: 935000 222.848 49.1286 -208.171 49.1283 77.037 14.1164 -208.172 14.1173 67.8249 GPRESSURE: 935000 208.665 94.0003 -125.163 50.8391 170.969 87.6505 -164.794 26.0376 87.702 PRESSAVG: 935000 -27.1657 25.7896 11.6508 25.7897 23.3302 60.6619 11.651 60.6619 -11.7223 GPRESSAVG: 935000 -26.049 26.1062 15.2635 23.8272 22.236 64.2519 10.4616 57.9692 -12.1773 TIMING: 935000 CPU: 2708.8, 0.00290121/step Wall: 2708.8, 0.00290121/step, 3.27594 hours remaining, 206.988281 MB of memory in use. ENERGY: 935000 738.2972 2027.0548 1945.7112 110.9893 -206508.5957 17972.9518 0.0000 0.0000 34231.8278 -149481.7635 298.9551 -183713.5913 -149374.4313 297.6715 122.5700 155.7788 557048.7939 -5.1859 -5.3301 PRESSURE: 935200 -215.269 61.1398 81.4512 61.139 264.14 17.9169 81.4523 17.9172 187.778 GPRESSURE: 935200 -214.717 76.0627 110.288 30.2298 336.809 -11.8931 155.778 -6.39028 204.432 PRESSAVG: 935200 -25.2749 -4.98287 -30.0715 -4.98295 63.5225 10.1142 -30.0714 10.1144 -12.7036 GPRESSAVG: 935200 -26.9192 -5.97384 -32.3769 -4.26807 64.62 9.22172 -26.9898 10.2806 -11.3127 TIMING: 935200 CPU: 2709.38, 0.00290695/step Wall: 2709.38, 0.00290695/step, 3.28227 hours remaining, 207.042969 MB of memory in use. ENERGY: 935200 700.9272 2103.1538 1951.7927 101.8929 -206439.9136 17949.7752 0.0000 0.0000 34157.0804 -149475.2915 298.3023 -183632.3720 -149373.8833 298.9439 78.8827 108.8413 557617.9465 8.5147 8.7960 PRESSURE: 935400 87.9837 97.8472 -0.591202 97.8479 -29.1576 65.3702 -0.592471 65.3702 -36.6357 GPRESSURE: 935400 168.411 23.9917 -20.1688 119.568 -38.4002 70.6893 32.9694 70.2736 -14.2381 PRESSAVG: 935400 -34.1182 40.1679 -11.5504 40.1679 7.56192 10.4156 -11.5504 10.4156 -1.20823 GPRESSAVG: 935400 -34.9257 38.8776 -12.1887 40.7856 7.45514 10.4956 -12.3631 12.1515 -0.62545 TIMING: 935400 CPU: 2709.96, 0.00289097/step Wall: 2709.96, 0.00289097/step, 3.26407 hours remaining, 207.042969 MB of memory in use. ENERGY: 935400 745.9380 2145.6299 1939.0405 116.2514 -206762.6367 18054.1122 0.0000 0.0000 34325.3290 -149436.3356 299.7716 -183761.6646 -149341.3571 298.2112 7.3968 38.5909 557196.8947 -9.2548 -9.3653 PRESSURE: 935600 138.317 -114.001 75.0376 -114.001 322.58 101.468 75.0361 101.467 309.967 GPRESSURE: 935600 229.003 -106.794 36.893 -116.869 351.34 145.829 107.788 50.7635 292.096 PRESSAVG: 935600 -2.53113 3.00592 -2.33533 3.00585 -1.10248 29.352 -2.33531 29.3519 24.6338 GPRESSAVG: 935600 -1.39094 4.42345 -1.6511 3.59204 -1.23237 27.754 -2.94441 29.7784 23.544 TIMING: 935600 CPU: 2710.54, 0.00290268/step Wall: 2710.54, 0.00290268/step, 3.27713 hours remaining, 207.042969 MB of memory in use. ENERGY: 935600 696.0465 2143.5243 1930.6745 119.0462 -206833.2633 18238.1120 0.0000 0.0000 34339.2092 -149366.6506 299.8929 -183705.8599 -149275.5785 299.2862 256.9547 290.8128 556720.1819 7.0001 6.9736 PRESSURE: 935800 -69.2264 161.394 -216.055 161.394 -81.3644 106.11 -216.055 106.111 -9.84529 GPRESSURE: 935800 -0.256455 142.634 -278.232 231.265 -61.9555 80.8836 -160.115 90.3256 -7.55309 PRESSAVG: 935800 -12.4533 3.51668 -50.698 3.51655 -0.190531 33.025 -50.6978 33.0251 -15.5789 GPRESSAVG: 935800 -12.8128 4.43963 -51.0714 1.65525 0.847132 35.3047 -51.8987 31.2652 -16.6378 TIMING: 935800 CPU: 2711.12, 0.00290706/step Wall: 2711.12, 0.00290706/step, 3.28191 hours remaining, 207.042969 MB of memory in use. ENERGY: 935800 753.3507 2137.4886 1966.5217 110.4128 -206348.5636 17961.3036 0.0000 0.0000 34109.2752 -149310.2109 297.8848 -183419.4861 -149210.2392 298.3708 -53.4787 -23.2550 557754.8012 -9.4076 -9.5345 PRESSURE: 936000 -99.996 -114.905 -112.844 -114.905 -187.088 -51.7985 -112.845 -51.7972 68.6984 GPRESSURE: 936000 -81.3223 -21.2002 -106.082 -46.4657 -94.8422 -45.8903 -96.1755 -38.925 73.6015 PRESSAVG: 936000 51.9719 25.5872 -2.60598 25.5872 -89.3339 -42.7014 -2.60598 -42.7015 85.2279 GPRESSAVG: 936000 52.0287 24.5835 -3.0367 26.8036 -89.6918 -43.0345 -2.52538 -42.2968 85.9024 TIMING: 936000 CPU: 2711.7, 0.00292265/step Wall: 2711.7, 0.00292265/step, 3.29934 hours remaining, 207.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 936000 732.2006 2170.1243 1942.9065 107.6642 -206144.1473 17641.9349 0.0000 0.0000 34294.9964 -149254.3205 299.5067 -183549.3170 -149160.1425 299.3148 -72.7953 -34.1877 558457.1184 15.9553 16.0798 PRESSURE: 936200 -81.2768 103.286 28.8844 103.285 36.2925 146.133 28.8841 146.132 153.487 GPRESSURE: 936200 -6.30138 56.8586 23.0524 86.4782 53.5769 169.591 51.104 252.322 154.962 PRESSAVG: 936200 -20.2389 -35.5196 -7.28027 -35.5197 5.18125 -25.0556 -7.28032 -25.0555 3.98722 GPRESSAVG: 936200 -19.4107 -35.5459 -6.28304 -35.3167 6.1471 -25.393 -8.02382 -26.6957 2.55235 TIMING: 936200 CPU: 2712.29, 0.00291956/step Wall: 2712.29, 0.00291956/step, 3.29569 hours remaining, 207.042969 MB of memory in use. ENERGY: 936200 716.0544 2162.4258 1960.4121 111.2208 -206454.8793 17889.6289 0.0000 0.0000 34248.8080 -149366.3294 299.1034 -183615.1374 -149277.4303 298.9155 36.1677 67.4126 557716.7018 -3.6901 -3.5704 LDB: ============= START OF LOAD BALANCING ============== 2715.67 LDB: ============== END OF LOAD BALANCING =============== 2715.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2715.68 LDB: ============= START OF LOAD BALANCING ============== 2715.97 LDB: Largest compute 4822 load 0.027066 is 22.9% of average load 0.117970 LDB: Average compute 0.001716 is 1.5% of average load 0.117970 LDB: TIME 2715.97 LOAD: AVG 0.11797 MAX 0.186396 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.926 MB LDB: TIME 2715.97 LOAD: AVG 0.11797 MAX 0.186396 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.961 MB LDB: TIME 2715.97 LOAD: AVG 0.11797 MAX 0.186396 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2715.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2715.98 PRESSURE: 936400 147.388 34.6924 -238.673 34.6923 243.643 -175.592 -238.673 -175.593 61.6684 GPRESSURE: 936400 146.148 54.8648 -226.243 40.7511 291.549 -175.656 -272.039 -185.073 103.775 PRESSAVG: 936400 -37.8895 5.37916 -18.3636 5.37914 -41.017 0.842503 -18.3636 0.842519 62.475 GPRESSAVG: 936400 -37.605 4.88978 -18.866 2.56771 -41.962 -0.10706 -17.8309 3.36339 62.814 TIMING: 936400 CPU: 2712.88, 0.00295509/step Wall: 2712.88, 0.00295509/step, 3.33564 hours remaining, 205.738281 MB of memory in use. ENERGY: 936400 769.2988 2127.1922 1945.5912 101.5776 -206680.1804 18122.0669 0.0000 0.0000 34267.0051 -149347.4487 299.2623 -183614.4538 -149245.5169 298.8762 150.8998 180.4906 557634.5136 -5.4772 -5.5843 PRESSURE: 936600 75.7433 -7.95652 -88.036 -7.95516 -242.396 113.73 -88.0375 113.73 -247.22 GPRESSURE: 936600 99.6775 -72.8022 -103.357 -11.8346 -212.612 170.218 -85.1412 123.945 -209.032 PRESSAVG: 936600 -18.0637 -3.75878 -37.4418 -3.75882 -10.7922 -49.1642 -37.4417 -49.1642 57.9807 GPRESSAVG: 936600 -18.4432 -2.60932 -38.7121 -0.968002 -10.4372 -47.2831 -37.4572 -50.2526 57.8578 TIMING: 936600 CPU: 2713.45, 0.00287558/step Wall: 2713.45, 0.00287558/step, 3.24573 hours remaining, 205.773438 MB of memory in use. ENERGY: 936600 752.9910 2145.3311 1956.6774 119.7823 -206184.2391 17768.5796 0.0000 0.0000 34323.8126 -149117.0651 299.7584 -183440.8777 -149020.7298 299.1945 -137.9574 -107.3220 559069.5102 9.7083 9.6591 PRESSURE: 936800 -64.4523 178.607 28.2042 178.608 -297.912 71.5353 28.2047 71.5369 -144.426 GPRESSURE: 936800 -33.2268 162.236 65.952 142.956 -274.541 64.5644 -7.17664 54.1987 -91.3893 PRESSAVG: 936800 13.2874 -38.2252 -37.2225 -38.2252 -0.576387 -35.9134 -37.2224 -35.9135 -51.3134 GPRESSAVG: 936800 12.8782 -39.6375 -37.1858 -37.903 -0.492963 -38.3569 -38.542 -36.1085 -51.7114 TIMING: 936800 CPU: 2714.04, 0.00290276/step Wall: 2714.04, 0.00290276/step, 3.27625 hours remaining, 205.773438 MB of memory in use. ENERGY: 936800 754.5323 2107.8956 1952.8356 109.1746 -206033.5948 17607.8147 0.0000 0.0000 34340.2530 -149161.0890 299.9020 -183501.3420 -149062.1026 299.6150 -168.9300 -133.0524 557489.3559 -12.8675 -13.1087 PRESSURE: 937000 -42.1201 116.464 -93.74 116.463 84.5363 134.989 -93.7411 134.989 -149.868 GPRESSURE: 937000 -55.4111 166.787 -87.8467 120.137 116.634 146.375 -97.9934 60.6504 -72.2215 PRESSAVG: 937000 53.8341 -6.32153 -6.33268 -6.32155 23.1097 -20.909 -6.33272 -20.9089 -32.1737 GPRESSAVG: 937000 53.801 -5.14826 -5.52322 -6.54658 22.7106 -20.4502 -6.47912 -22.1664 -31.6565 TIMING: 937000 CPU: 2714.62, 0.00292983/step Wall: 2714.62, 0.00292983/step, 3.30664 hours remaining, 205.773438 MB of memory in use. ENERGY: 937000 748.4439 2089.9491 1955.9458 132.7279 -205861.2153 17822.8206 0.0000 0.0000 34190.0037 -148921.3243 298.5898 -183111.3280 -148822.7070 300.2400 -35.8174 -3.6662 558692.1989 14.9234 14.9517 PRESSURE: 937200 300.6 -211.547 -99.2818 -211.548 106.891 212.216 -99.2808 212.217 -13.0526 GPRESSURE: 937200 319.901 -210.93 -172.05 -162.629 130.09 139.417 -87.3049 218.588 55.0178 PRESSAVG: 937200 -68.1349 -68.4987 -60.8851 -68.4987 25.5269 -5.59653 -60.885 -5.59634 32.2727 GPRESSAVG: 937200 -67.6394 -69.9571 -61.1759 -65.692 25.2676 -5.41107 -59.2196 -5.05697 32.6355 TIMING: 937200 CPU: 2715.2, 0.00289926/step Wall: 2715.2, 0.00289926/step, 3.27197 hours remaining, 205.773438 MB of memory in use. ENERGY: 937200 752.3382 2113.7353 1933.3861 122.8771 -206534.7440 18198.9844 0.0000 0.0000 34517.2085 -148896.2144 301.4474 -183413.4230 -148797.9864 300.5011 131.4796 168.3363 557314.6777 -3.4451 -3.2454 PRESSURE: 937400 0.0152112 -80.1736 -70.8394 -80.1742 -252.399 54.399 -70.8401 54.4011 53.7702 GPRESSURE: 937400 0.00690131 -96.0076 -89.304 -5.94769 -214.67 43.359 -68.0181 76.4764 109.615 PRESSAVG: 937400 13.8929 14.7202 -25.3019 14.7202 17.7654 6.71668 -25.302 6.71671 -22.1559 GPRESSAVG: 937400 14.4098 19.0581 -25.3303 11.2821 18.7402 6.51209 -25.349 7.38857 -22.7215 TIMING: 937400 CPU: 2715.78, 0.00288048/step Wall: 2715.78, 0.00288048/step, 3.25062 hours remaining, 205.773438 MB of memory in use. ENERGY: 937400 716.3412 2112.8350 1944.6391 127.1501 -205753.5186 17555.0126 0.0000 0.0000 34257.2984 -149040.2422 299.1775 -183297.5406 -148941.4810 300.5002 -66.2044 -35.0160 558349.9309 3.1675 3.4762 PRESSURE: 937600 61.8372 147.21 -199.27 147.211 -216.524 -106.42 -199.269 -106.42 95.4734 GPRESSURE: 937600 47.3143 137.004 -195.692 106.12 -164.17 -29.6129 -334.565 -138.881 147.83 PRESSAVG: 937600 -22.5514 9.2864 -52.3726 9.28648 -23.8831 24.4112 -52.3726 24.4112 69.1826 GPRESSAVG: 937600 -21.6274 7.79362 -53.1419 8.69659 -24.8106 26.9076 -52.0759 23.0756 69.2661 TIMING: 937600 CPU: 2716.35, 0.00287267/step Wall: 2716.35, 0.00287267/step, 3.24165 hours remaining, 205.773438 MB of memory in use. ENERGY: 937600 742.6017 2091.9800 1977.9425 120.8218 -206042.1004 17760.2515 0.0000 0.0000 34340.3107 -149008.1922 299.9025 -183348.5029 -148909.3737 299.6471 -19.7378 10.3248 557727.3983 7.5827 7.6094 PRESSURE: 937800 -239.082 60.4602 -92.3327 60.4604 -20.2332 87.1206 -92.333 87.1229 -169.426 GPRESSURE: 937800 -191.197 55.3368 -75.1625 116.484 -3.23671 55.6936 -124.11 101.763 -141.638 PRESSAVG: 937800 -44.7923 -35.7994 -36.5256 -35.7994 1.83053 -0.817115 -36.5257 -0.817067 -1.13255 GPRESSAVG: 937800 -45.1568 -38.5956 -33.8713 -33.9378 2.98406 -3.69961 -38.8024 0.6613 -1.8329 TIMING: 937800 CPU: 2716.93, 0.00289354/step Wall: 2716.93, 0.00289354/step, 3.26504 hours remaining, 205.773438 MB of memory in use. ENERGY: 937800 733.1088 2107.8609 1969.3881 105.0059 -205940.7104 17595.5453 0.0000 0.0000 34283.0375 -149146.7639 299.4023 -183429.8014 -149050.5372 299.8264 -142.9139 -112.0240 558657.8399 -14.6981 -14.6686 PRESSURE: 938000 -44.4146 -97.5136 55.9766 -97.5144 -218.841 -33.505 55.9765 -33.5047 -358.374 GPRESSURE: 938000 -74.0293 -156.879 125.196 -59.6772 -195.103 -82.5157 60.8265 -9.82835 -262.31 PRESSAVG: 938000 18.5236 -3.73711 -17.9231 -3.73718 -36.7026 7.70919 -17.9231 7.70909 8.92182 GPRESSAVG: 938000 19.6967 -0.44497 -20.663 -3.97667 -37.1945 7.87001 -16.1221 8.26556 8.37539 TIMING: 938000 CPU: 2717.51, 0.00288414/step Wall: 2717.51, 0.00288414/step, 3.25427 hours remaining, 205.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 938000 762.3969 2154.0506 1943.7081 113.3322 -206014.8597 17568.6820 0.0000 0.0000 34363.1702 -149109.5197 300.1021 -183472.6900 -149017.9930 299.9262 -207.2098 -177.1475 557349.9262 -3.0857 -3.0408 PRESSURE: 938200 93.8498 197.183 120.561 197.182 200.346 -34.3632 120.561 -34.3629 22.0825 GPRESSURE: 938200 229.251 100.881 94.936 272.141 204.967 -30.3085 97.388 29.7283 -35.2021 PRESSAVG: 938200 -2.89749 29.2798 -8.88861 29.2798 -3.63837 16.0875 -8.8885 16.0875 0.00233663 GPRESSAVG: 938200 -3.68617 26.585 -8.46559 30.0779 -3.6102 18.0191 -6.78684 15.117 0.753143 TIMING: 938200 CPU: 2718.08, 0.00287514/step Wall: 2718.08, 0.00287514/step, 3.24395 hours remaining, 205.773438 MB of memory in use. ENERGY: 938200 752.0292 2090.9533 1965.6952 108.5024 -206294.3371 17877.7659 0.0000 0.0000 34244.2213 -149255.1697 299.0633 -183499.3910 -149158.0186 299.7151 105.4261 133.0052 556982.0911 -2.1778 -2.1811 PRESSURE: 938400 -8.34568 -8.55531 189.063 -8.55606 299.835 128.949 189.063 128.95 -135.076 GPRESSURE: 938400 38.1832 19.1932 102.701 7.91791 293.758 95.1473 207.854 91.856 -79.5369 PRESSAVG: 938400 28.0459 -39.8398 19.2951 -39.8399 4.11282 -26.475 19.2951 -26.4751 -30.5663 GPRESSAVG: 938400 28.5016 -39.1796 18.8752 -40.3176 2.83572 -28.2031 17.9339 -26.6913 -29.7912 TIMING: 938400 CPU: 2718.66, 0.00287823/step Wall: 2718.66, 0.00287823/step, 3.24729 hours remaining, 205.773438 MB of memory in use. ENERGY: 938400 761.8367 2073.4819 1943.2606 114.3931 -206461.0469 18158.0197 0.0000 0.0000 34086.5944 -149323.4607 297.6867 -183410.0551 -149231.2276 298.5336 52.1379 84.1347 557737.4410 0.5308 0.5154 PRESSURE: 938600 84.8639 -44.9752 -16.7669 -44.9751 9.66247 133.494 -16.7663 133.494 -224.701 GPRESSURE: 938600 125.165 -97.2683 36.7811 11.0624 31.1318 41.4618 -34.0593 71.8541 -185.832 PRESSAVG: 938600 30.7583 28.271 -17.9798 28.271 -15.0045 -23.4028 -17.9799 -23.4029 -71.7185 GPRESSAVG: 938600 30.0238 27.1004 -16.3611 30.2505 -13.8708 -23.6602 -18.4363 -23.928 -72.0654 TIMING: 938600 CPU: 2719.24, 0.00289338/step Wall: 2719.24, 0.00289338/step, 3.26421 hours remaining, 205.773438 MB of memory in use. ENERGY: 938600 745.5953 2041.6999 1917.7815 114.3224 -206357.9032 17966.9369 0.0000 0.0000 34186.2318 -149385.3353 298.5569 -183571.5671 -149293.1000 298.5967 -43.3914 -9.8452 557929.5113 -18.6549 -18.6375 PRESSURE: 938800 5.89938 212.047 -120.103 212.048 -116.355 183.447 -120.104 183.445 -29.7702 GPRESSURE: 938800 -4.54715 243.039 -106.628 144.824 -17.7417 155.422 -80.229 242.76 -36.9149 PRESSAVG: 938800 8.31528 -33.0749 -25.5668 -33.075 59.2345 -12.9794 -25.5667 -12.9793 -34.8298 GPRESSAVG: 938800 8.31789 -32.5405 -25.4192 -34.8087 59.9791 -12.3284 -26.3922 -12.4993 -35.1114 TIMING: 938800 CPU: 2719.81, 0.0028793/step Wall: 2719.81, 0.0028793/step, 3.24817 hours remaining, 205.773438 MB of memory in use. ENERGY: 938800 737.4045 2060.1271 1956.2969 121.9701 -206124.3329 17798.1699 0.0000 0.0000 34397.6742 -149052.6903 300.4034 -183450.3645 -148956.2102 299.5922 -46.7418 -19.7346 558119.2513 10.9066 11.0619 PRESSURE: 939000 10.8577 39.5408 -5.92203 39.5405 -44.3707 -50.3911 -5.92138 -50.39 -29.9257 GPRESSURE: 939000 55.878 -6.71674 -13.048 44.8269 -46.0805 -15.5668 -39.734 34.8443 23.6995 PRESSAVG: 939000 -2.9565 -20.8558 6.28731 -20.8559 10.4707 1.05297 6.28727 1.05303 -8.34208 GPRESSAVG: 939000 -4.15689 -22.1936 4.97116 -21.6942 11.2129 0.856452 5.95786 0.368025 -7.97064 TIMING: 939000 CPU: 2720.39, 0.00288564/step Wall: 2720.39, 0.00288564/step, 3.25516 hours remaining, 205.773438 MB of memory in use. ENERGY: 939000 725.2765 2115.7595 1942.7899 117.1542 -206132.7447 17791.0948 0.0000 0.0000 34488.1347 -148952.5351 301.1935 -183440.6698 -148860.6909 300.3019 -21.1463 11.1657 558142.6457 -0.2760 -0.3049 PRESSURE: 939200 64.5351 210.852 -33.7173 210.851 39.2336 61.8697 -33.717 61.8706 -9.36886 GPRESSURE: 939200 148.031 156.03 -27.5703 182.693 107.066 79.2542 -38.2196 -1.49732 -74.9739 PRESSAVG: 939200 -20.9526 -2.35652 -9.47202 -2.35639 57.8496 -1.36482 -9.47196 -1.36483 4.66701 GPRESSAVG: 939200 -19.9705 0.0751762 -7.80182 -1.58076 57.1665 -3.15648 -8.69407 0.534801 4.10515 TIMING: 939200 CPU: 2720.97, 0.002891/step Wall: 2720.97, 0.002891/step, 3.26104 hours remaining, 205.773438 MB of memory in use. ENERGY: 939200 735.7922 2138.5424 1933.4297 117.0530 -206023.1891 17836.3485 0.0000 0.0000 34228.7774 -149033.2459 298.9284 -183262.0232 -148937.1098 300.0282 31.4666 60.0410 558828.3514 13.8546 13.7670 PRESSURE: 939400 -201.058 -77.3216 -28.5339 -77.3225 155.572 -99.3272 -28.5348 -99.3295 -51.5759 GPRESSURE: 939400 -128.405 -134.332 -59.4135 -69.6762 176.936 -117.669 -95.6858 -96.2852 -61.5964 PRESSAVG: 939400 73.7986 -19.7192 -19.5996 -19.7191 -17.6307 15.6507 -19.5997 15.6507 -65.1725 GPRESSAVG: 939400 74.2278 -19.7572 -19.6153 -21.8006 -17.6378 18.1948 -19.3551 12.7976 -65.8996 TIMING: 939400 CPU: 2721.55, 0.00289315/step Wall: 2721.55, 0.00289315/step, 3.26331 hours remaining, 205.773438 MB of memory in use. ENERGY: 939400 750.3172 2050.4696 1930.9515 117.9299 -206068.2989 17815.2553 0.0000 0.0000 34241.7029 -149161.6724 299.0413 -183403.3753 -149071.7191 300.0574 -32.3538 -4.3553 557567.7927 -3.0015 -3.1032 PRESSURE: 939600 110.848 -226.579 24.343 -226.578 199.112 76.9598 24.3434 76.9606 91.7956 GPRESSURE: 939600 72.1871 -206.349 -17.0936 -313.688 309.97 -33.7181 132.001 62.6386 114.123 PRESSAVG: 939600 63.3274 -15.4377 12.4525 -15.4377 0.50154 41.408 12.4526 41.408 -41.9533 GPRESSAVG: 939600 61.862 -14.6819 11.3075 -14.8116 -0.737298 40.5315 13.9197 42.9379 -39.8278 TIMING: 939600 CPU: 2722.12, 0.00287997/step Wall: 2722.12, 0.00287997/step, 3.24829 hours remaining, 205.773438 MB of memory in use. ENERGY: 939600 768.6545 2127.2277 1910.2091 116.9963 -206777.3007 18190.6162 0.0000 0.0000 34191.3438 -149472.2532 298.6015 -183663.5969 -149379.5760 298.4926 133.9185 165.4265 556156.7724 7.2919 7.0990 PRESSURE: 939800 -46.4168 -79.499 37.1699 -79.4989 -189.726 32.5984 37.1698 32.5993 -178.801 GPRESSURE: 939800 -35.4049 -154.954 -40.0021 -23.7438 -148.354 53.8617 40.2048 -74.6138 -137.974 PRESSAVG: 939800 29.8432 -73.0777 -42.8779 -73.0776 -38.5276 12.9303 -42.8779 12.9303 -17.2718 GPRESSAVG: 939800 30.6756 -72.2522 -44.1214 -74.1287 -39.8508 12.4633 -44.3487 12.1866 -16.1637 TIMING: 939800 CPU: 2722.7, 0.00289885/step Wall: 2722.7, 0.00289885/step, 3.26942 hours remaining, 205.773438 MB of memory in use. ENERGY: 939800 734.3001 2144.7988 1933.7652 123.7769 -205983.6574 17530.3165 0.0000 0.0000 34072.9349 -149443.7650 297.5674 -183516.6999 -149351.1262 298.3416 -138.3144 -107.2443 557467.6710 -8.6521 -8.4463 PRESSURE: 940000 -323.902 -110.98 -48.7073 -110.98 -182.615 -200.484 -48.7079 -200.484 -285.467 GPRESSURE: 940000 -278.025 -152.308 -124.589 -16.1287 -167.109 -214.795 -63.4497 -164.383 -253.983 PRESSAVG: 940000 18.4483 56.5014 -14.158 56.5014 -57.4093 31.8637 -14.158 31.8635 62.4542 GPRESSAVG: 940000 18.8939 56.1573 -12.0539 58.4484 -56.8245 33.0159 -15.2165 31.71 61.2077 TIMING: 940000 CPU: 2723.28, 0.00291147/step Wall: 2723.28, 0.00291147/step, 3.28349 hours remaining, 205.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 940000 742.0217 2150.7031 1937.8340 127.1881 -205995.2176 17349.9684 0.0000 0.0000 34136.3366 -149551.1656 298.1211 -183687.5021 -149453.6456 298.1833 -263.9945 -233.0389 556465.0547 7.8311 7.7590 PRESSURE: 940200 -16.154 -72.3058 -42.3056 -72.3054 -99.563 -4.96121 -42.3049 -4.96216 123.101 GPRESSURE: 940200 18.9678 -168.891 -131.017 -37.9996 -90.7472 -23.7761 -14.0016 10.9644 174.371 PRESSAVG: 940200 23.6406 16.6267 -24.7651 16.6268 -37.0741 -6.56419 -24.7651 -6.56398 -19.4697 GPRESSAVG: 940200 23.9279 14.6634 -25.8625 16.6378 -35.5767 -7.25039 -21.9489 -4.75124 -20.9108 TIMING: 940200 CPU: 2723.86, 0.00289243/step Wall: 2723.86, 0.00289243/step, 3.26186 hours remaining, 205.773438 MB of memory in use. ENERGY: 940200 705.5369 2077.1603 1928.7129 116.2705 -206345.8430 17804.0382 0.0000 0.0000 34188.6739 -149525.4503 298.5782 -183714.1242 -149426.0227 298.4646 2.4615 34.1973 557982.8063 -10.9677 -10.8532 LDB: ============= START OF LOAD BALANCING ============== 2727.25 LDB: ============== END OF LOAD BALANCING =============== 2727.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2727.25 LDB: ============= START OF LOAD BALANCING ============== 2727.54 LDB: Largest compute 4820 load 0.027755 is 23.5% of average load 0.117966 LDB: Average compute 0.001718 is 1.5% of average load 0.117966 LDB: TIME 2727.54 LOAD: AVG 0.117966 MAX 0.187965 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.531 MB LDB: TIME 2727.54 LOAD: AVG 0.117966 MAX 0.187965 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: TIME 2727.54 LOAD: AVG 0.117966 MAX 0.187965 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: ============== END OF LOAD BALANCING =============== 2727.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2727.55 PRESSURE: 940400 -211.808 38.9523 83.1946 38.9519 41.3258 -27.8876 83.1951 -27.8878 94.3217 GPRESSURE: 940400 -170.386 63.8724 106.413 6.8356 93.7818 -73.4034 6.74633 100.404 100.642 PRESSAVG: 940400 -8.51633 -16.4345 5.24858 -16.4345 -16.8005 40.4366 5.24854 40.4366 54.5009 GPRESSAVG: 940400 -9.03321 -14.0886 6.88871 -17.7221 -16.6014 38.816 3.57983 40.8033 54.7017 TIMING: 940400 CPU: 2724.45, 0.00295753/step Wall: 2724.45, 0.00295753/step, 3.33511 hours remaining, 206.554688 MB of memory in use. ENERGY: 940400 749.5277 2150.7718 1967.0300 106.6534 -206354.7884 17700.0966 0.0000 0.0000 34346.7803 -149333.9285 299.9590 -183680.7088 -149233.6181 298.9575 -25.3869 8.0125 557182.7977 9.7280 9.6890 PRESSURE: 940600 16.8322 -130.088 -254.012 -130.087 -46.9426 73.4227 -254.012 73.423 -118.062 GPRESSURE: 940600 43.7853 -81.7155 -286.536 -188.796 9.22173 117.856 -135.069 79.6546 -96.3947 PRESSAVG: 940600 7.43461 0.64227 -39.9576 0.642315 9.94618 -9.34555 -39.9576 -9.34543 -12.6526 GPRESSAVG: 940600 7.19485 0.600509 -40.3514 0.30708 8.4267 -11.3429 -40.2656 -8.65606 -11.3401 TIMING: 940600 CPU: 2725.04, 0.00290933/step Wall: 2725.04, 0.00290933/step, 3.2806 hours remaining, 206.554688 MB of memory in use. ENERGY: 940600 722.5507 2070.0737 1929.3485 129.8626 -206299.8447 17791.6507 0.0000 0.0000 34213.1278 -149443.2308 298.7918 -183656.3586 -149349.5981 298.5368 -49.3908 -14.4625 558437.6521 1.5761 1.4271 PRESSURE: 940800 -135.021 110.736 -105.824 110.737 -326.031 205.053 -105.825 205.054 -100.673 GPRESSURE: 940800 -178.12 63.8696 -130.133 109.794 -235.52 115.958 -69.8494 163.891 -42.4992 PRESSAVG: 940800 -33.1261 -39.0237 -54.856 -39.0236 32.5743 63.024 -54.856 63.0241 31.7138 GPRESSAVG: 940800 -34.801 -40.3668 -54.7011 -38.3166 33.9466 63.3874 -55.3505 62.1465 31.6442 TIMING: 940800 CPU: 2725.61, 0.00289225/step Wall: 2725.61, 0.00289224/step, 3.26117 hours remaining, 206.554688 MB of memory in use. ENERGY: 940800 788.4515 2163.7755 1933.5260 117.7557 -206315.9805 17727.6520 0.0000 0.0000 34248.7391 -149336.0807 299.1028 -183584.8198 -149246.4980 298.2442 -187.2414 -152.0467 558348.2735 10.3873 10.2633 PRESSURE: 941000 -151.495 -174.777 -193.141 -174.777 242.46 -61.3752 -193.142 -61.3753 -11.0224 GPRESSURE: 941000 -89.1115 -139.385 -253.356 -253.538 284.171 -46.6523 -220.137 -36.9983 -6.19715 PRESSAVG: 941000 -35.2316 24.145 -41.8359 24.145 69.4876 0.926537 -41.836 0.926593 -22.2257 GPRESSAVG: 941000 -33.2189 23.3886 -42.3147 25.2236 69.1313 3.16718 -42.1932 -1.22205 -23.2271 TIMING: 941000 CPU: 2726.19, 0.00289657/step Wall: 2726.19, 0.00289657/step, 3.26588 hours remaining, 206.554688 MB of memory in use. ENERGY: 941000 743.7918 2073.4215 1950.1285 110.6741 -206705.7732 18084.7745 0.0000 0.0000 34381.5325 -149361.4502 300.2625 -183742.9828 -149269.2238 299.0454 26.6477 62.9542 558334.8471 4.0101 4.2284 PRESSURE: 941200 -321.557 53.8213 -163.277 53.8221 74.3583 -80.0215 -163.277 -80.0222 42.7842 GPRESSURE: 941200 -256.729 55.7486 -198.898 3.35725 104.199 -34.0922 -180.065 11.8304 64.9903 PRESSAVG: 941200 65.6827 -53.5716 16.5003 -53.5716 -12.8956 -22.6186 16.5004 -22.6185 -34.5132 GPRESSAVG: 941200 65.1888 -53.7597 12.475 -53.0176 -12.523 -22.4178 18.6421 -19.5432 -34.083 TIMING: 941200 CPU: 2726.77, 0.00289119/step Wall: 2726.77, 0.00289118/step, 3.25965 hours remaining, 206.554688 MB of memory in use. ENERGY: 941200 731.8448 2119.1262 1924.9918 108.6203 -206123.1807 17714.3373 0.0000 0.0000 34347.1672 -149177.0931 299.9624 -183524.2603 -149085.6009 299.5741 -68.1382 -29.1797 557537.5955 6.0913 6.1943 PRESSURE: 941400 -84.1453 177.806 -60.8294 177.806 66.9087 -61.0303 -60.8304 -61.0296 -138.205 GPRESSURE: 941400 -66.1083 162.57 -38.6109 242.554 70.1361 -51.0403 -19.1089 -140.695 -71.5083 PRESSAVG: 941400 -34.8874 -45.0781 13.9573 -45.0782 46.5526 11.0883 13.9574 11.0882 -20.5104 GPRESSAVG: 941400 -34.8205 -43.6307 17.275 -47.8298 46.7498 11.498 11.479 8.23186 -20.705 TIMING: 941400 CPU: 2727.35, 0.00291185/step Wall: 2727.35, 0.00291185/step, 3.28278 hours remaining, 206.609375 MB of memory in use. ENERGY: 941400 745.6138 2115.4112 1944.0272 121.2770 -206234.6864 17738.9716 0.0000 0.0000 34230.0079 -149339.3776 298.9392 -183569.3855 -149242.3137 298.9271 -51.8138 -22.4935 557211.9098 -2.9484 -2.9252 PRESSURE: 941600 -131.48 -29.0014 -73.0939 -29.0002 -170.311 -89.174 -73.0943 -89.174 -6.95163 GPRESSURE: 941600 -35.2667 -86.5186 -79.1723 -9.36685 -148.9 -58.5156 -60.4489 -66.187 -12.9891 PRESSAVG: 941600 -25.9024 -57.6173 33.7409 -57.6173 46.9894 -2.44908 33.7408 -2.44903 -59.0176 GPRESSAVG: 941600 -25.9852 -58.9329 31.8483 -54.5656 45.7405 -4.26857 36.8501 -0.855293 -57.8617 TIMING: 941600 CPU: 2727.94, 0.00291126/step Wall: 2727.94, 0.00291126/step, 3.28196 hours remaining, 206.609375 MB of memory in use. ENERGY: 941600 721.0444 2118.3224 1921.1904 119.8468 -205762.4432 17439.7704 0.0000 0.0000 34086.7734 -149355.4954 297.6883 -183442.2688 -149256.0490 298.7461 -102.9140 -65.7187 557054.2057 -12.6435 -12.7021 PRESSURE: 941800 217.858 -84.107 249.871 -84.107 -64.473 159.849 249.87 159.848 -370.312 GPRESSURE: 941800 234.25 -64.3675 296.693 -61.0426 -29.8657 227.017 249.762 161.625 -329.25 PRESSAVG: 941800 55.4551 -2.09183 43.2439 -2.09179 22.9282 -16.1071 43.2439 -16.107 -52.3924 GPRESSAVG: 941800 54.9363 -1.68177 44.5958 -3.87594 23.7826 -13.8427 41.5734 -16.4673 -52.3778 TIMING: 941800 CPU: 2728.52, 0.00290392/step Wall: 2728.52, 0.00290392/step, 3.27353 hours remaining, 206.609375 MB of memory in use. ENERGY: 941800 745.4330 2135.4672 1948.8918 98.0521 -206094.1299 17527.3099 0.0000 0.0000 34204.9243 -149434.0516 298.7201 -183638.9760 -149333.5788 299.3465 -72.3093 -41.6220 556008.8385 8.6637 8.7804 PRESSURE: 942000 199.665 7.28733 13.3849 7.28654 -44.0214 -46.467 13.3853 -46.4659 -194.946 GPRESSURE: 942000 244.831 -96.224 -20.1848 45.9788 -0.242683 -116.663 92.4656 -23.454 -177.465 PRESSAVG: 942000 21.7302 46.6136 67.2553 46.6136 -44.4701 -56.2752 67.2553 -56.2753 -53.5743 GPRESSAVG: 942000 22.6569 45.1762 65.3812 47.0222 -44.3534 -57.5138 69.6607 -58.4108 -54.8037 TIMING: 942000 CPU: 2729.09, 0.00287895/step Wall: 2729.09, 0.00287895/step, 3.24521 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 942000 728.0483 2061.7880 1934.6656 112.1340 -206558.6656 17940.1656 0.0000 0.0000 34126.1870 -149655.6772 298.0325 -183781.8642 -149561.6767 297.7386 -13.1010 22.3744 557445.8364 -25.4381 -25.5001 PRESSURE: 942200 -49.5844 17.4272 -120.414 17.4267 92.4766 33.6306 -120.415 33.6297 28.8281 GPRESSURE: 942200 -11.6419 -21.1124 13.8144 57.3395 117.67 67.3745 -135.588 -90.2821 74.9777 PRESSAVG: 942200 13.3627 56.8855 -1.64341 56.8856 -6.00099 -12.1526 -1.64352 -12.1524 -16.0951 GPRESSAVG: 942200 11.6819 59.4263 1.13354 56.9015 -5.61428 -12.6858 -4.0176 -11.5549 -15.0849 TIMING: 942200 CPU: 2729.67, 0.00287676/step Wall: 2729.67, 0.00287676/step, 3.24259 hours remaining, 206.675781 MB of memory in use. ENERGY: 942200 682.6324 2112.4876 1973.0335 115.9461 -206432.3822 17799.8860 0.0000 0.0000 34139.5174 -149608.8792 298.1489 -183748.3966 -149516.1216 297.7575 23.9068 60.3351 556554.9120 -2.9111 -3.0057 PRESSURE: 942400 -74.4935 -89.1457 23.6377 -89.1466 37.5524 4.1817 23.6369 4.17969 124.656 GPRESSURE: 942400 -9.70588 -41.0969 45.1678 -15.6534 83.4219 72.082 88.175 -32.7099 111.43 PRESSAVG: 942400 -5.71591 13.6243 -17.6286 13.6243 24.7294 8.01285 -17.6285 8.01292 -10.4415 GPRESSAVG: 942400 -4.22394 12.7313 -19.2066 14.5942 24.1028 9.56618 -17.5222 9.55486 -11.7142 TIMING: 942400 CPU: 2730.25, 0.00288373/step Wall: 2730.25, 0.00288373/step, 3.25029 hours remaining, 206.675781 MB of memory in use. ENERGY: 942400 748.5172 2094.6158 1943.3559 118.2627 -206426.0468 17994.2382 0.0000 0.0000 33894.4513 -149632.6056 296.0087 -183527.0569 -149544.5719 298.1876 29.2382 61.7154 558378.0114 2.8573 2.7216 PRESSURE: 942600 251.674 -113.095 175.999 -113.094 34.1357 -162.385 175.998 -162.384 -154.652 GPRESSURE: 942600 208.438 -71.127 85.1061 -36.2118 101.624 -192.594 231.72 -145.155 -83.7504 PRESSAVG: 942600 -38.1397 -2.30229 -19.839 -2.30221 29.0526 2.72784 -19.8391 2.72774 -12.5111 GPRESSAVG: 942600 -39.1642 -2.63486 -19.5528 -2.79863 28.8416 2.07334 -19.6058 1.08154 -11.2259 TIMING: 942600 CPU: 2730.83, 0.002907/step Wall: 2730.83, 0.002907/step, 3.27635 hours remaining, 206.675781 MB of memory in use. ENERGY: 942600 729.7523 2088.0762 1958.3269 104.5790 -206795.0806 17970.3524 0.0000 0.0000 34503.3684 -149440.6253 301.3265 -183943.9937 -149342.0196 298.2968 43.7194 75.4371 556366.5081 -7.1994 -7.1829 PRESSURE: 942800 -11.752 112.156 -21.2347 112.157 234.366 -82.5129 -21.2341 -82.513 -150.294 GPRESSURE: 942800 14.1852 154.41 -29.8471 59.1235 259.988 -55.8246 64.6545 -58.0257 -91.4496 PRESSAVG: 942800 56.9549 -18.832 32.8444 -18.8321 -40.4941 -5.1858 32.8445 -5.18588 -63.9032 GPRESSAVG: 942800 55.8421 -18.118 32.2833 -21.1597 -40.0192 -4.99836 33.5368 -4.06742 -63.7707 TIMING: 942800 CPU: 2731.41, 0.00290158/step Wall: 2731.41, 0.00290158/step, 3.27008 hours remaining, 206.675781 MB of memory in use. ENERGY: 942800 779.0182 2068.7541 1908.3974 104.6260 -206468.1222 17967.1585 0.0000 0.0000 34272.8084 -149367.3596 299.3130 -183640.1680 -149267.5081 298.9176 24.1067 60.9077 556756.8337 -15.8141 -15.9826 PRESSURE: 943000 45.0118 11.5307 28.1907 11.5303 -24.0731 3.93337 28.1906 3.93174 -24.3441 GPRESSURE: 943000 67.896 102.261 -2.17197 15.8515 72.3534 65.9346 37.2751 -26.3104 -42.7892 PRESSAVG: 943000 71.2108 42.5942 -4.878 42.5942 9.37378 37.0078 -4.87794 37.0078 -52.4389 GPRESSAVG: 943000 71.914 42.3643 -4.77878 42.8546 8.87254 36.4787 -5.66266 37.2694 -52.6258 TIMING: 943000 CPU: 2731.98, 0.00286802/step Wall: 2731.98, 0.00286802/step, 3.2321 hours remaining, 206.675781 MB of memory in use. ENERGY: 943000 797.0315 2133.0995 1948.4345 114.3281 -206515.1582 17954.8065 0.0000 0.0000 34129.2261 -149438.2320 298.0590 -183567.4581 -149348.0582 298.8287 -1.1351 32.4867 556473.7893 9.3819 9.3869 PRESSURE: 943200 -10.9166 11.7961 -81.3493 11.7967 56.9755 67.3255 -81.3492 67.3268 -68.3544 GPRESSURE: 943200 65.5957 1.99264 -123.215 -71.5271 50.994 56.6008 -34.8403 104.767 -40.5814 PRESSAVG: 943200 29.585 15.7195 6.62163 15.7194 20.3549 51.5741 6.62169 51.574 -84.2598 GPRESSAVG: 943200 30.5312 16.8412 8.07233 13.3845 20.0482 51.9348 6.66095 51.1022 -84.7228 TIMING: 943200 CPU: 2732.56, 0.00287586/step Wall: 2732.56, 0.00287586/step, 3.24078 hours remaining, 206.675781 MB of memory in use. ENERGY: 943200 790.3365 2102.8942 1964.5302 115.3733 -206420.5869 17875.0855 0.0000 0.0000 34322.0107 -149250.3566 299.7427 -183572.3672 -149154.2316 299.0775 -7.4318 25.3361 557479.3479 -11.4400 -11.3811 PRESSURE: 943400 22.6554 -58.729 28.7508 -58.7284 300.735 49.4976 28.7514 49.4968 153.484 GPRESSURE: 943400 56.5617 65.6203 17.444 -70.1275 339.916 65.1426 21.4877 81.4642 180.116 PRESSAVG: 943400 5.17171 23.5097 -24.5736 23.5097 -7.68076 43.4195 -24.5737 43.4194 7.16974 GPRESSAVG: 943400 5.02386 21.8193 -25.549 26.1854 -8.17726 42.6384 -23.2547 42.4522 8.45426 TIMING: 943400 CPU: 2733.14, 0.00290012/step Wall: 2733.14, 0.00290012/step, 3.26795 hours remaining, 206.675781 MB of memory in use. ENERGY: 943400 728.7237 2128.8700 1938.4030 104.8299 -206732.4825 18104.7450 0.0000 0.0000 34355.9533 -149370.9577 300.0391 -183726.9110 -149278.4279 299.1037 158.9582 192.1980 556284.4932 1.5536 1.7670 PRESSURE: 943600 -436.013 128.464 -37.853 128.465 -358.375 2.80201 -37.8537 2.8028 -248.517 GPRESSURE: 943600 -433.864 172.969 -59.0955 88.6953 -314.541 6.57556 -23.6913 -41.4468 -186.757 PRESSAVG: 943600 -56.3218 -8.77537 17.7016 -8.77546 24.8049 17.6104 17.7016 17.6104 23.5675 GPRESSAVG: 943600 -55.7759 -8.15731 19.0145 -7.80045 25.1187 18.5852 16.801 18.6272 22.5486 TIMING: 943600 CPU: 2733.72, 0.0029043/step Wall: 2733.72, 0.0029043/step, 3.2725 hours remaining, 206.675781 MB of memory in use. ENERGY: 943600 784.1493 2064.5679 1964.6121 125.9946 -205876.1554 17409.6522 0.0000 0.0000 34101.0286 -149426.1508 297.8128 -183527.1794 -149325.6003 298.8645 -347.6351 -311.7205 559029.2017 -2.6498 -2.7029 PRESSURE: 943800 -188.734 -9.22485 -54.6426 -9.22511 -410.611 111.353 -54.6421 111.353 -401.825 GPRESSURE: 943800 -230.118 -23.7803 -91.0515 5.59033 -365.248 -23.3448 8.93877 108.337 -306.229 PRESSAVG: 943800 48.9515 -6.43711 -34.2361 -6.43706 -4.28671 21.8826 -34.2362 21.8825 22.9261 GPRESSAVG: 943800 46.8532 -6.05716 -36.8427 -7.87444 -2.87268 21.3336 -33.004 21.1721 23.323 TIMING: 943800 CPU: 2734.3, 0.00289119/step Wall: 2734.3, 0.00289119/step, 3.25757 hours remaining, 206.675781 MB of memory in use. ENERGY: 943800 781.0572 2100.2177 1946.6566 113.9918 -206009.9175 17588.9234 0.0000 0.0000 34157.8815 -149321.1893 298.3093 -183479.0708 -149227.7083 298.5013 -333.7234 -300.5315 558834.0110 22.5303 22.4345 PRESSURE: 944000 246.317 -142.315 57.2381 -142.315 -7.92305 -27.2191 57.2379 -27.2184 145.824 GPRESSURE: 944000 315.01 -133.345 72.1243 -95.9019 -7.75849 -80.7814 -31.5187 -12.7841 171.816 PRESSAVG: 944000 39.9993 -38.0378 17.2563 -38.0378 36.3196 -9.91395 17.2562 -9.91402 6.33916 GPRESSAVG: 944000 42.2962 -38.7737 18.1468 -35.6025 34.4538 -10.0374 14.4628 -6.50715 5.58408 TIMING: 944000 CPU: 2734.88, 0.00290527/step Wall: 2734.88, 0.00290527/step, 3.27327 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 944000 738.2426 2114.8292 1969.5782 120.1329 -206871.8233 18210.6002 0.0000 0.0000 34302.2730 -149416.1673 299.5703 -183718.4402 -149319.3323 298.4215 128.0726 159.6893 557374.2407 27.5527 27.4447 PRESSURE: 944200 239.99 -57.7634 91.2953 -57.7629 35.2217 -15.2033 91.2931 -15.2024 221.845 GPRESSURE: 944200 275.764 2.12831 115.779 -125.93 59.1618 -58.4781 74.2006 43.3008 255.541 PRESSAVG: 944200 21.0977 -97.9973 -6.24943 -97.9973 -4.46932 -16.3299 -6.24947 -16.33 -3.63448 GPRESSAVG: 944200 20.4336 -97.9064 -7.01033 -98.0585 -4.48517 -14.9769 -4.41625 -18.3564 -3.14709 TIMING: 944200 CPU: 2735.45, 0.00287608/step Wall: 2735.45, 0.00287608/step, 3.24022 hours remaining, 206.675781 MB of memory in use. ENERGY: 944200 744.7141 2059.3505 1968.2811 117.2447 -206716.3822 18175.4468 0.0000 0.0000 34294.3893 -149356.9555 299.5014 -183651.3448 -149258.0774 299.4975 165.6853 196.8224 556054.9660 4.3313 4.2671 LDB: ============= START OF LOAD BALANCING ============== 2738.84 LDB: ============== END OF LOAD BALANCING =============== 2738.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2738.84 LDB: ============= START OF LOAD BALANCING ============== 2739.13 LDB: Largest compute 4820 load 0.028471 is 24.2% of average load 0.117884 LDB: Average compute 0.001717 is 1.5% of average load 0.117884 LDB: TIME 2739.13 LOAD: AVG 0.117884 MAX 0.186147 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.809 MB LDB: TIME 2739.13 LOAD: AVG 0.117884 MAX 0.186147 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: TIME 2739.13 LOAD: AVG 0.117884 MAX 0.186147 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: ============== END OF LOAD BALANCING =============== 2739.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2739.14 PRESSURE: 944400 -112.801 -147.842 22.0803 -147.842 -108.148 42.3914 22.0795 42.3913 126.976 GPRESSURE: 944400 -47.4115 -201.48 32.9903 -90.1383 -71.023 9.65652 49.8871 -53.1826 113.516 PRESSAVG: 944400 38.0979 -47.9575 40.59 -47.9576 18.8912 -23.1268 40.59 -23.1269 -20.4502 GPRESSAVG: 944400 37.1132 -49.0598 40.4517 -47.1474 20.6001 -24.4769 40.7859 -22.4684 -21.1246 TIMING: 944400 CPU: 2736.04, 0.00295083/step Wall: 2736.04, 0.00295083/step, 3.32428 hours remaining, 206.558594 MB of memory in use. ENERGY: 944400 736.2436 2086.7582 1961.0326 106.2572 -205978.7256 17613.7332 0.0000 0.0000 34325.5242 -149149.1765 299.7733 -183474.7007 -149041.0815 299.8556 -31.3243 -1.6394 556623.4234 12.1796 12.1962 PRESSURE: 944600 -27.8014 253.208 -57.1895 253.208 249.385 -2.46384 -57.1895 -2.46467 7.02263 GPRESSURE: 944600 -9.95783 167.017 -64.017 277.612 327.128 -73.3519 -32.9212 24.5239 8.83942 PRESSAVG: 944600 -50.0142 22.0421 -26.2874 22.0421 -18.2137 -15.2071 -26.2874 -15.207 53.4512 GPRESSAVG: 944600 -48.5863 21.5505 -26.4669 22.241 -19.757 -15.4177 -26.7269 -15.7948 53.0313 TIMING: 944600 CPU: 2736.62, 0.0028819/step Wall: 2736.62, 0.0028819/step, 3.24645 hours remaining, 207.019531 MB of memory in use. ENERGY: 944600 761.6828 2107.5999 1978.2225 107.7101 -206745.8163 18066.2120 0.0000 0.0000 34574.2235 -149150.1655 301.9453 -183724.3890 -149061.8498 299.6620 76.2021 108.6698 557405.9873 -4.9255 -5.1040 PRESSURE: 944800 -35.6017 -2.27664 67.6021 -2.2777 -188.774 -75.6051 67.6024 -75.6061 -251.394 GPRESSURE: 944800 16.9383 10.86 65.8059 -43.8571 -153.537 -29.1567 102.47 -67.6758 -240.345 PRESSAVG: 944800 24.6384 -5.05493 37.9712 -5.05497 -37.5806 4.33118 37.9712 4.33106 39.5111 GPRESSAVG: 944800 23.7933 -3.97499 40.9183 -6.00492 -36.3427 4.82673 36.0901 3.73401 39.5323 TIMING: 944800 CPU: 2737.19, 0.00288374/step Wall: 2737.19, 0.00288374/step, 3.24837 hours remaining, 207.074219 MB of memory in use. ENERGY: 944800 780.0877 2070.0939 1949.1954 120.1775 -205896.8980 17578.4368 0.0000 0.0000 34225.0604 -149173.8463 298.8960 -183398.9067 -149077.5940 300.4168 -158.5897 -125.6477 559701.7984 8.8563 8.9943 PRESSURE: 945000 177.442 57.599 58.8667 57.5991 223.751 15.9039 58.8664 15.9034 -70.221 GPRESSURE: 945000 245.826 65.1878 69.914 77.8044 233.506 26.5556 40.1357 -22.8203 -49.7686 PRESSAVG: 945000 58.5082 16.2032 69.5621 16.2032 -23.6207 3.00411 69.5621 3.00407 -8.72191 GPRESSAVG: 945000 56.4514 15.7 66.3366 15.273 -23.0545 3.52117 71.9314 1.40753 -7.01376 TIMING: 945000 CPU: 2737.77, 0.00289073/step Wall: 2737.77, 0.00289073/step, 3.25609 hours remaining, 207.074219 MB of memory in use. ENERGY: 945000 680.2259 2119.2346 1943.5110 117.3002 -206370.3291 17955.8537 0.0000 0.0000 34353.4421 -149200.7615 300.0172 -183554.2037 -149096.0060 299.7548 110.3239 143.1878 556647.2671 8.7219 8.7944 PRESSURE: 945200 47.7961 99.6948 -113.897 99.6942 -96.2417 57.1008 -113.897 57.1005 -136.581 GPRESSURE: 945200 87.7055 82.1969 -132.508 73.4363 -78.4364 41.4222 -69.7355 123.689 -98.1379 PRESSAVG: 945200 -16.3346 -23.1898 -10.722 -23.1897 -6.74382 30.8544 -10.7221 30.8545 8.77557 GPRESSAVG: 945200 -14.8303 -22.6652 -10.8612 -23.6468 -6.35654 30.5169 -11.0162 33.0537 6.64667 TIMING: 945200 CPU: 2738.34, 0.00285955/step Wall: 2738.34, 0.00285955/step, 3.22081 hours remaining, 207.074219 MB of memory in use. ENERGY: 945200 729.3852 2132.7147 1936.4400 111.8690 -206356.0168 17792.5547 0.0000 0.0000 34253.4975 -149399.5558 299.1443 -183653.0534 -149302.5514 299.0026 -61.6756 -29.6230 556744.9008 -4.7676 -4.8467 PRESSURE: 945400 12.2331 -32.4217 -179.893 -32.4215 -237.696 46.5561 -179.893 46.5563 -167.708 GPRESSURE: 945400 -3.00396 -69.1915 -119.784 -54.6715 -184.993 75.3921 -218.727 42.2607 -110.488 PRESSAVG: 945400 26.0861 7.41597 -84.2504 7.41609 -63.4167 -16.2243 -84.2506 -16.2244 26.4904 GPRESSAVG: 945400 24.3993 8.03695 -82.3568 7.08649 -63.2759 -15.5747 -85.2858 -18.3069 27.7653 TIMING: 945400 CPU: 2738.92, 0.00288655/step Wall: 2738.92, 0.00288655/step, 3.25105 hours remaining, 207.074219 MB of memory in use. ENERGY: 945400 808.8689 2177.5469 1941.6803 111.1776 -206399.3008 17888.2600 0.0000 0.0000 34286.7885 -149184.9785 299.4351 -183471.7670 -149099.8008 299.2638 -131.0572 -99.4950 558068.2384 -3.6134 -3.7038 PRESSURE: 945600 86.4383 -178.15 -55.0474 -178.149 -20.0671 -44.3463 -55.0472 -44.3462 -117.73 GPRESSURE: 945600 138.943 -188.858 -53.5265 -176.795 -2.83569 -28.8737 -57.4289 -46.1713 -80.6284 PRESSAVG: 945600 92.5764 23.3735 39.5568 23.3734 -5.86123 6.69198 39.5567 6.69199 -81.8822 GPRESSAVG: 945600 94.1393 23.6298 38.2148 22.947 -6.39059 7.02692 41.7499 8.54443 -82.5309 TIMING: 945600 CPU: 2739.5, 0.00290156/step Wall: 2739.5, 0.00290156/step, 3.2678 hours remaining, 207.074219 MB of memory in use. ENERGY: 945600 750.6165 2069.3497 1906.8738 114.7108 -206280.7384 18040.7308 0.0000 0.0000 34076.8601 -149321.5966 297.6017 -183398.4567 -149230.6475 299.4934 -17.1197 18.4929 556998.0074 1.6110 1.7393 PRESSURE: 945800 -60.9994 53.4739 -150.739 53.4734 -20.6507 -99.3892 -150.739 -99.3906 -42.9955 GPRESSURE: 945800 -51.763 188.963 -135.267 -124.501 39.3028 -179.849 -61.0368 9.46124 -20.8665 PRESSAVG: 945800 59.1235 -25.1655 -0.650041 -25.1654 -51.637 -5.62208 -0.650035 -5.62221 -29.1199 GPRESSAVG: 945800 59.7214 -24.8927 0.931786 -24.1237 -50.9811 -8.60887 -2.79477 -5.54237 -29.9903 TIMING: 945800 CPU: 2740.08, 0.00290372/step Wall: 2740.08, 0.00290372/step, 3.27007 hours remaining, 207.074219 MB of memory in use. ENERGY: 945800 732.1626 2102.6007 1932.3029 110.2449 -206091.8449 17792.5452 0.0000 0.0000 34208.0208 -149213.9679 298.7472 -183421.9887 -149127.0654 298.8677 -41.5485 -11.1089 558457.2217 -7.2111 -7.0833 PRESSURE: 946000 -56.6501 -175.492 13.3441 -175.493 55.5164 -54.4715 13.3424 -54.4702 92.6931 GPRESSURE: 946000 -28.3877 -70.0033 -121.838 -156.333 66.4077 -101.149 50.5647 -89.2617 145.23 PRESSAVG: 946000 30.1006 -21.5232 -22.8721 -21.5233 38.2497 -17.7596 -22.872 -17.7596 -36.8248 GPRESSAVG: 946000 29.2456 -22.0529 -25.0164 -20.9628 37.6868 -16.4164 -21.8631 -20.1649 -34.7986 TIMING: 946000 CPU: 2740.67, 0.00292081/step Wall: 2740.67, 0.00292081/step, 3.28916 hours remaining, 207.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 946000 739.5478 2070.6866 1934.8014 110.7760 -206295.3560 17832.0625 0.0000 0.0000 34249.2969 -149358.1848 299.1076 -183607.4817 -149261.2660 298.8818 30.5198 61.0833 557395.1455 10.5085 10.7113 PRESSURE: 946200 129.102 -100.758 54.991 -100.758 68.9533 -74.2796 54.9888 -74.2803 52.0945 GPRESSURE: 946200 125.33 -80.0547 87.3266 -148.361 132.567 -127.56 46.2303 -3.35224 83.7772 PRESSAVG: 946200 70.7462 48.7272 56.1514 48.7272 -27.5303 -29.3137 56.1513 -29.3137 -20.346 GPRESSAVG: 946200 71.7393 49.6836 58.7552 46.1723 -27.5393 -30.6399 53.7195 -26.5215 -21.677 TIMING: 946200 CPU: 2741.25, 0.00290319/step Wall: 2741.25, 0.0029032/step, 3.26916 hours remaining, 207.074219 MB of memory in use. ENERGY: 946200 754.9319 2091.5603 1970.3197 111.6237 -206237.5699 17895.4034 0.0000 0.0000 33993.6177 -149420.1132 296.8747 -183413.7308 -149324.5513 298.5563 83.3834 113.8912 556987.7691 7.6233 7.5077 PRESSURE: 946400 138.792 119.153 65.9117 119.153 129.261 -41.1323 65.9124 -41.1326 60.4051 GPRESSURE: 946400 167.09 -1.34687 -9.58521 165.916 165.585 5.27695 56.4606 -37.9746 90.7412 PRESSAVG: 946400 -34.1714 55.5826 41.4015 55.5827 13.9713 -56.4986 41.4014 -56.4986 -16.0993 GPRESSAVG: 946400 -34.6177 53.882 41.0255 56.4091 15.1472 -53.2334 42.0147 -58.4909 -17.5915 TIMING: 946400 CPU: 2741.82, 0.00287807/step Wall: 2741.82, 0.00287807/step, 3.2407 hours remaining, 207.074219 MB of memory in use. ENERGY: 946400 767.5887 2101.7802 1967.1963 112.9947 -206987.5777 18153.6276 0.0000 0.0000 34038.2979 -149846.0923 297.2649 -183884.3902 -149752.3922 298.1300 109.4860 141.1386 555998.9895 -12.0998 -12.3540 PRESSURE: 946600 28.2776 59.7747 -41.3307 59.7741 210.25 218.924 -41.3308 218.924 246.632 GPRESSURE: 946600 48.8109 94.9899 -42.4414 68.6527 235.578 157.539 -47.3822 212.134 304.16 PRESSAVG: 946600 57.5568 -26.8125 -21.3609 -26.8125 -16.8703 57.4402 -21.3609 57.44 -49.2421 GPRESSAVG: 946600 56.9901 -26.14 -21.0915 -26.2362 -16.9996 56.2914 -20.904 58.2731 -47.8952 TIMING: 946600 CPU: 2742.4, 0.00287716/step Wall: 2742.4, 0.00287716/step, 3.23952 hours remaining, 207.074219 MB of memory in use. ENERGY: 946600 750.6333 2103.2161 1972.8983 115.6851 -206580.8653 18156.7159 0.0000 0.0000 33719.1567 -149762.5600 294.4778 -183481.7167 -149664.1850 297.0825 161.7199 196.1828 556245.4090 -2.8519 -2.6349 PRESSURE: 946800 -318.436 -111.301 94.6426 -111.302 -147.975 -44.1029 94.6415 -44.1038 -152.302 GPRESSURE: 946800 -263.873 -112.99 82.9845 -136.711 -154.383 124.454 69.5783 -140.755 -123.843 PRESSAVG: 946800 -39.3366 -40.4283 38.3842 -40.4285 -29.2509 -40.9397 38.3842 -40.9396 21.8937 GPRESSAVG: 946800 -39.5603 -40.4868 37.8293 -40.3044 -30.6374 -40.1602 37.1201 -42.3914 22.9457 TIMING: 946800 CPU: 2742.98, 0.00289177/step Wall: 2742.98, 0.00289177/step, 3.25581 hours remaining, 207.074219 MB of memory in use. ENERGY: 946800 759.9984 2091.1024 1955.6454 122.1921 -206418.6716 17515.1026 0.0000 0.0000 34247.6248 -149727.0059 299.0930 -183974.6308 -149634.4178 297.9516 -206.2375 -180.6999 558629.8930 -15.5646 -15.7507 PRESSURE: 947000 -258.019 19.8783 -75.3673 19.8783 23.3869 81.036 -75.3657 81.0352 -226.327 GPRESSURE: 947000 -201.773 15.1699 -95.3864 -53.268 59.9269 56.1936 -96.1051 109.372 -227.67 PRESSAVG: 947000 -23.4049 -41.3721 20.5413 -41.3722 7.12881 -37.4023 20.5412 -37.4022 8.65207 GPRESSAVG: 947000 -21.8923 -42.8592 19.9614 -39.837 7.52152 -40.7623 22.1957 -35.048 7.76024 TIMING: 947000 CPU: 2743.55, 0.00286891/step Wall: 2743.55, 0.00286891/step, 3.22991 hours remaining, 207.074219 MB of memory in use. ENERGY: 947000 719.5339 2071.0141 1944.9891 114.6544 -206690.1266 17852.8745 0.0000 0.0000 34286.4762 -149700.5846 299.4323 -183987.0607 -149598.2855 298.1420 -153.6529 -123.1722 557487.5451 -2.5413 -2.2035 PRESSURE: 947200 215.074 -41.6544 50.5597 -41.655 -85.1459 22.7348 50.5586 22.7352 100.636 GPRESSURE: 947200 198.753 1.60586 28.8375 12.0421 -21.6571 -27.8425 58.5652 73.0198 151.886 PRESSAVG: 947200 64.7628 -2.71458 18.5967 -2.71454 -43.2111 -7.19944 18.5966 -7.19949 -42.1177 GPRESSAVG: 947200 64.5876 0.995657 18.8244 -6.24048 -42.7674 -6.15577 18.0228 -8.84481 -42.4292 TIMING: 947200 CPU: 2744.13, 0.00289526/step Wall: 2744.13, 0.00289526/step, 3.25942 hours remaining, 207.074219 MB of memory in use. ENERGY: 947200 745.3311 2062.8844 1936.8788 123.6406 -206463.8520 18003.4529 0.0000 0.0000 33957.1964 -149634.4677 296.5566 -183591.6642 -149532.1738 298.5657 76.8549 109.6607 557364.3776 -6.8553 -6.8697 PRESSURE: 947400 303.237 -55.1975 2.21277 -55.197 176.789 142.331 2.21173 142.331 121.712 GPRESSURE: 947400 378.981 6.6992 14.0137 -133.347 138.167 145.332 0.420907 126.951 182.988 PRESSAVG: 947400 21.063 -64.4963 23.2801 -64.4962 -36.0787 -1.69941 23.2801 -1.69934 19.2355 GPRESSAVG: 947400 19.5877 -65.6302 22.2341 -63.6246 -35.5999 0.24369 23.4477 -3.12736 20.1265 TIMING: 947400 CPU: 2744.71, 0.00288195/step Wall: 2744.71, 0.00288195/step, 3.24427 hours remaining, 207.074219 MB of memory in use. ENERGY: 947400 747.7401 2046.3309 1954.8260 114.5301 -206764.9585 18267.8043 0.0000 0.0000 34195.8509 -149437.8762 298.6409 -183633.7271 -149336.9500 298.5184 200.5790 233.3784 557572.0347 1.4066 1.3714 PRESSURE: 947600 -90.7735 49.1316 -23.8164 49.1305 -126.195 -25.7257 -23.8164 -25.7236 -176.247 GPRESSURE: 947600 -58.3859 51.9511 -43.1101 32.0661 -90.0921 16.7532 33.1074 34.5063 -148.691 PRESSAVG: 947600 -7.36346 -3.80416 6.96879 -3.80423 37.0847 -8.58526 6.96882 -8.5853 -26.0494 GPRESSAVG: 947600 -6.29317 -3.74091 5.85019 -2.78002 35.8904 -9.14752 9.67493 -7.42763 -25.7466 TIMING: 947600 CPU: 2745.29, 0.00290433/step Wall: 2745.29, 0.00290433/step, 3.26931 hours remaining, 207.074219 MB of memory in use. ENERGY: 947600 758.7935 2110.6398 1937.9868 114.3996 -206359.8568 17769.7524 0.0000 0.0000 34224.5668 -149443.7178 298.8917 -183668.2847 -149340.9576 298.6396 -131.0716 -99.0563 559255.5128 1.2239 1.2835 PRESSURE: 947800 -128.673 -25.6823 -218.349 -25.6808 -79.5212 102.159 -218.35 102.159 -125.869 GPRESSURE: 947800 -41.123 -4.9315 -232.994 -35.2939 -80.0857 53.8033 -234.799 174.535 -116.475 PRESSAVG: 947800 -11.8227 10.8185 -31.7267 10.8185 21.0584 82.1967 -31.7267 82.1966 -3.53386 GPRESSAVG: 947800 -11.9085 8.38804 -30.2593 10.866 21.6778 81.2316 -34.7809 82.7985 -4.13198 TIMING: 947800 CPU: 2745.87, 0.00290575/step Wall: 2745.87, 0.00290575/step, 3.27074 hours remaining, 207.074219 MB of memory in use. ENERGY: 947800 798.1856 2063.2969 1966.1268 134.5545 -206372.8777 17820.7971 0.0000 0.0000 34290.1470 -149299.7698 299.4644 -183589.9168 -149199.3234 298.9233 -111.3546 -79.2280 557781.8296 1.9006 1.8791 PRESSURE: 948000 -8.91499 -89.1279 86.2563 -89.1284 -28.6249 28.4177 86.2565 28.4172 59.953 GPRESSURE: 948000 -32.987 -29.7119 106.45 -124.731 49.0064 37.0912 129.53 -52.8112 100.502 PRESSAVG: 948000 16.1239 24.229 28.1375 24.229 35.769 21.3776 28.1375 21.3777 -38.343 GPRESSAVG: 948000 15.5638 26.5154 28.1479 24.3801 36.3594 19.2411 28.5824 22.8446 -38.68 TIMING: 948000 CPU: 2746.45, 0.00290046/step Wall: 2746.45, 0.00290046/step, 3.26463 hours remaining, 207.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 948000 781.0991 2149.6797 1971.9467 114.3266 -206328.0272 17821.6337 0.0000 0.0000 34128.6558 -149360.6858 298.0540 -183489.3415 -149261.8815 298.2950 7.4710 38.8403 558099.0122 4.5166 4.4144 PRESSURE: 948200 -63.2965 -268.703 -117.133 -268.703 -128.825 75.8827 -117.134 75.8833 -75.1275 GPRESSURE: 948200 -47.6626 -205.488 -155.775 -261.357 -111.369 94.0582 -130.589 39.912 -10.9307 PRESSAVG: 948200 -19.2692 -52.702 16.1958 -52.702 13.4109 0.072841 16.1958 0.0728379 17.1639 GPRESSAVG: 948200 -19.6887 -53.9308 15.4269 -52.4106 13.1377 0.820517 17.8886 -0.124206 17.9585 TIMING: 948200 CPU: 2747.03, 0.00288761/step Wall: 2747.03, 0.00288761/step, 3.25 hours remaining, 207.074219 MB of memory in use. ENERGY: 948200 729.6071 2116.4954 1968.8544 121.9230 -206081.4583 17724.2020 0.0000 0.0000 34119.8947 -149300.4817 297.9775 -183420.3765 -149200.8656 298.7978 -89.0829 -56.6542 558016.6745 3.7685 3.8025 LDB: ============= START OF LOAD BALANCING ============== 2750.41 LDB: ============== END OF LOAD BALANCING =============== 2750.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2750.41 LDB: ============= START OF LOAD BALANCING ============== 2750.7 LDB: Largest compute 4820 load 0.027308 is 23.1% of average load 0.118016 LDB: Average compute 0.001718 is 1.5% of average load 0.118016 LDB: TIME 2750.71 LOAD: AVG 0.118016 MAX 0.189114 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.332 MB LDB: TIME 2750.71 LOAD: AVG 0.118016 MAX 0.189114 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: TIME 2750.71 LOAD: AVG 0.118016 MAX 0.189114 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: ============== END OF LOAD BALANCING =============== 2750.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2750.71 PRESSURE: 948400 64.2064 -121.824 -172.434 -121.824 -237.771 -280.697 -172.434 -280.696 35.3329 GPRESSURE: 948400 117.994 -157.116 -185.565 -185.143 -187.667 -339.413 -96.9606 -269.178 44.0894 PRESSAVG: 948400 0.808289 -4.75227 -48.9697 -4.75222 26.4321 35.9555 -48.9697 35.9557 -42.1298 GPRESSAVG: 948400 0.614519 -5.06541 -49.7992 -5.24788 26.3213 36.6705 -50.7573 34.4119 -41.9395 TIMING: 948400 CPU: 2747.62, 0.00295256/step Wall: 2747.62, 0.00295256/step, 3.32295 hours remaining, 208.300781 MB of memory in use. ENERGY: 948400 742.2965 2124.3243 1967.9923 117.5410 -206284.3484 17822.5186 0.0000 0.0000 34160.5749 -149349.1007 298.3328 -183509.6756 -149255.2410 299.0877 -46.0773 -8.5280 557254.5404 -4.9631 -5.0012 PRESSURE: 948600 -253.883 -118.601 -91.3868 -118.601 10.4087 -5.10992 -91.3854 -5.10971 -76.5534 GPRESSURE: 948600 -206.644 -103.47 -76.2035 -222.868 33.6317 1.07893 -14.2158 -33.264 -57.9848 PRESSAVG: 948600 -29.0782 -52.6352 1.53626 -52.6353 19.1003 -86.3807 1.53627 -86.3806 19.6921 GPRESSAVG: 948600 -29.1803 -50.1608 3.72624 -53.8025 19.9048 -84.764 1.35868 -86.6942 18.421 TIMING: 948600 CPU: 2748.19, 0.00287625/step Wall: 2748.19, 0.00287625/step, 3.23689 hours remaining, 208.371094 MB of memory in use. ENERGY: 948600 751.3221 2015.3208 1979.0316 118.1234 -206000.2573 17685.2823 0.0000 0.0000 34274.6316 -149176.5456 299.3289 -183451.1772 -149073.4777 299.2363 -106.6758 -76.9989 558902.3389 3.2381 3.0485 PRESSURE: 948800 102.705 160.809 5.92942 160.808 136.648 -29.2223 5.93083 -29.2212 -60.9402 GPRESSURE: 948800 118.963 103.455 10.2468 181.81 128.366 -42.1715 4.02297 -114.815 37.2188 PRESSAVG: 948800 -18.8855 -67.1472 17.5137 -67.1473 34.3155 7.15042 17.5137 7.15034 -41.7497 GPRESSAVG: 948800 -18.5045 -68.1492 14.667 -68.2378 34.6294 6.06534 20.8012 8.32269 -42.1678 TIMING: 948800 CPU: 2748.77, 0.00290496/step Wall: 2748.77, 0.00290496/step, 3.26905 hours remaining, 208.371094 MB of memory in use. ENERGY: 948800 722.9603 2113.1613 1941.4632 102.6462 -206291.7052 17885.2122 0.0000 0.0000 34433.9767 -149092.2852 300.7205 -183526.2620 -148996.3201 299.5074 59.4711 94.8494 555860.6508 -8.7732 -8.6810 PRESSURE: 949000 -138.579 -79.0185 114.613 -79.0193 -19.8354 -24.6851 114.612 -24.6858 183.904 GPRESSURE: 949000 -17.4992 -62.826 178.671 19.8732 -68.7431 -97.558 169.402 24.3605 208.228 PRESSAVG: 949000 7.26161 43.7619 17.2341 43.7619 -2.04466 -17.3725 17.2341 -17.3727 -5.76481 GPRESSAVG: 949000 7.91117 41.3692 16.6754 45.4192 -4.01602 -16.3064 15.5898 -18.6526 -5.12323 TIMING: 949000 CPU: 2749.35, 0.00290162/step Wall: 2749.35, 0.00290162/step, 3.26513 hours remaining, 208.371094 MB of memory in use. ENERGY: 949000 719.0203 2042.7854 1973.3002 119.1014 -205827.1334 17599.4391 0.0000 0.0000 34165.5002 -149207.9867 298.3758 -183373.4870 -149114.2437 298.9213 8.4967 40.6618 555769.9517 -0.1826 -0.4094 PRESSURE: 949200 65.8088 -235.166 -86.9932 -235.166 -38.5643 50.818 -86.9939 50.8191 12.7098 GPRESSURE: 949200 84.4584 -246.032 20.5753 -224.284 9.57592 30.822 -59.9093 54.0452 32.5279 PRESSAVG: 949200 6.41684 38.7057 -29.3637 38.7057 0.820926 -8.25712 -29.3638 -8.25718 39.5717 GPRESSAVG: 949200 5.53716 40.3512 -27.3669 37.5355 1.20955 -9.64123 -29.3747 -7.81642 40.3877 TIMING: 949200 CPU: 2749.93, 0.00289039/step Wall: 2749.93, 0.00289039/step, 3.25233 hours remaining, 208.441406 MB of memory in use. ENERGY: 949200 738.9471 2163.8657 1961.1800 114.8962 -206044.1149 17881.6840 0.0000 0.0000 34152.5178 -149031.0242 298.2624 -183183.5419 -148939.6525 299.3023 13.3181 42.1874 557977.4844 15.6031 15.7115 PRESSURE: 949400 -61.2397 -141.413 -76.9909 -141.412 -204.493 37.615 -76.9914 37.6149 -16.474 GPRESSURE: 949400 -36.9845 -134.393 -147.459 -81.8516 -181.938 -58.6991 -21.3147 26.7108 17.0166 PRESSAVG: 949400 33.3266 -31.1057 -65.7039 -31.1057 45.9411 22.8471 -65.7039 22.8471 -30.5148 GPRESSAVG: 949400 32.6915 -32.0563 -67.1188 -29.858 47.3554 23.9845 -65.8152 20.9502 -31.3658 TIMING: 949400 CPU: 2750.51, 0.00291115/step Wall: 2750.51, 0.00291115/step, 3.27552 hours remaining, 208.441406 MB of memory in use. ENERGY: 949400 753.0079 2113.8052 1954.7402 114.2907 -206128.5322 17763.7500 0.0000 0.0000 34387.7307 -149041.2075 300.3166 -183428.9382 -148949.6614 299.9308 -94.0690 -67.3021 558070.8027 16.2510 16.2270 PRESSURE: 949600 -275.895 -40.9041 -137.3 -40.9045 11.5483 131.086 -137.3 131.087 -193.028 GPRESSURE: 949600 -281.397 -1.53253 -122.792 -4.405 32.183 140.097 -140.958 129.632 -110.113 PRESSAVG: 949600 12.7658 -25.0878 -58.9012 -25.0878 6.36717 3.03371 -58.9011 3.03382 -51.3742 GPRESSAVG: 949600 15.3651 -25.012 -57.2845 -27.3879 4.13443 1.01012 -59.6992 6.87391 -51.4013 TIMING: 949600 CPU: 2751.09, 0.00289085/step Wall: 2751.09, 0.00289085/step, 3.25253 hours remaining, 208.441406 MB of memory in use. ENERGY: 949600 801.4945 2126.6808 1976.9745 112.0793 -205715.7308 17690.7296 0.0000 0.0000 34124.4560 -148883.3161 298.0174 -183007.7721 -148789.8980 300.0152 -152.4583 -119.7757 559239.7444 -10.7471 -10.6339 PRESSURE: 949800 -89.1957 168.075 76.3305 168.076 -162.741 -46.8028 76.33 -46.801 -133.454 GPRESSURE: 949800 -86.8426 129.435 14.0493 168.009 -113.272 -113.111 79.545 -18.3959 -89.9463 PRESSAVG: 949800 -4.94643 19.5126 28.4931 19.5125 17.8989 45.0291 28.493 45.029 4.93301 GPRESSAVG: 949800 -6.28015 19.3274 28.675 20.8008 19.2505 45.2922 29.4948 42.7621 5.17217 TIMING: 949800 CPU: 2751.66, 0.00286189/step Wall: 2751.66, 0.00286189/step, 3.21978 hours remaining, 208.441406 MB of memory in use. ENERGY: 949800 760.1274 2097.0138 1976.3416 127.0053 -205702.8941 17479.5462 0.0000 0.0000 34576.3959 -148686.4639 301.9643 -183262.8598 -148580.6411 301.4005 -128.4637 -96.6868 557466.9204 5.9618 6.0475 PRESSURE: 950000 -184.575 -62.1365 -84.1117 -62.1353 217.764 -132.799 -84.1106 -132.8 114.703 GPRESSURE: 950000 -116.64 -52.3942 -22.7558 -25.9912 265.074 -110.701 -181.474 -127.123 111.107 PRESSAVG: 950000 -23.3936 17.2171 26.5898 17.217 8.52469 22.7287 26.5898 22.7287 22.8427 GPRESSAVG: 950000 -22.7045 15.8773 26.4172 18.711 8.38926 23.3153 26.3954 23.1157 22.5915 TIMING: 950000 CPU: 2752.24, 0.00289437/step Wall: 2752.24, 0.00289437/step, 3.25616 hours remaining, 208.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 950000 724.1901 2122.3755 1949.3823 123.6346 -205700.5250 17776.0799 0.0000 0.0000 34501.7818 -148503.0809 301.3126 -183004.8627 -148400.6891 300.9580 49.2973 86.5140 559123.6028 2.6579 2.7587 PRESSURE: 950200 -176.274 -78.2312 -16.043 -78.231 -158.685 55.3349 -16.0442 55.3373 -40.9927 GPRESSURE: 950200 -191.918 -58.1885 17.9804 -67.1886 -58.944 125.366 -12.185 38.4272 -42.9998 PRESSAVG: 950200 -63.0643 34.6667 13.818 34.6668 35.1461 -22.7905 13.818 -22.7905 72.1672 GPRESSAVG: 950200 -63.3709 36.3665 14.6268 33.2432 34.6133 -21.0138 11.3704 -25.781 72.8627 TIMING: 950200 CPU: 2752.82, 0.00289193/step Wall: 2752.82, 0.00289193/step, 3.25326 hours remaining, 208.441406 MB of memory in use. ENERGY: 950200 793.3966 2098.4963 1952.5655 115.7150 -205570.0551 17632.8455 0.0000 0.0000 34295.8371 -148681.1991 299.5141 -182977.0362 -148585.2351 301.7599 -125.3172 -97.9538 558734.8690 14.7496 14.7017 PRESSURE: 950400 54.9702 143.557 -32.0091 143.556 54.7881 -38.8681 -32.0104 -38.8685 142.129 GPRESSURE: 950400 74.0894 160.126 4.71232 121.162 43.9429 60.9203 -95.986 -67.5997 225.454 PRESSAVG: 950400 -61.6728 -31.9738 2.91377 -31.9737 11.9137 -46.0591 2.91366 -46.0592 74.0588 GPRESSAVG: 950400 -62.0273 -31.703 1.84632 -32.7385 12.6607 -47.9647 4.44137 -45.3671 74.016 TIMING: 950400 CPU: 2753.4, 0.00290425/step Wall: 2753.4, 0.00290425/step, 3.26696 hours remaining, 208.441406 MB of memory in use. ENERGY: 950400 780.3258 2106.3471 1965.3577 127.3083 -206021.1176 17811.7458 0.0000 0.0000 34447.8681 -148782.1649 300.8418 -183230.0330 -148682.4797 300.6619 83.9625 114.4956 557769.6194 8.0999 8.2165 PRESSURE: 950600 49.0703 -23.0939 45.8376 -23.0923 211.106 155.53 45.8376 155.529 -32.014 GPRESSURE: 950600 97.2077 6.10964 -14.7326 -103.625 199.518 250.861 162.167 48.1491 24.8383 PRESSAVG: 950600 11.3124 90.382 -11.5423 90.3819 -19.8058 17.2309 -11.5423 17.2309 2.29877 GPRESSAVG: 950600 12.0434 90.3733 -11.8376 89.6146 -20.205 17.4954 -10.7113 17.6799 1.58278 TIMING: 950600 CPU: 2753.98, 0.0028862/step Wall: 2753.98, 0.0028862/step, 3.24649 hours remaining, 208.441406 MB of memory in use. ENERGY: 950600 725.1030 2129.7976 1950.7689 112.1550 -206043.5913 17967.2677 0.0000 0.0000 34312.8773 -148845.6220 299.6629 -183158.4992 -148747.1539 300.5670 76.0540 107.1881 559008.7761 -2.0649 -2.1929 PRESSURE: 950800 277.126 82.2967 -95.5068 82.2963 100.691 -125.928 -95.5078 -125.928 -29.8042 GPRESSURE: 950800 267.124 105.953 -178.213 147.637 78.2235 -124.849 -125.988 -99.242 101.328 PRESSAVG: 950800 -14.0145 11.1108 11.1098 11.1108 -10.3496 20.9374 11.1099 20.9373 11.9318 GPRESSAVG: 950800 -15.7044 9.92758 11.4512 13.8244 -10.8446 20.3987 12.6243 20.891 13.7609 TIMING: 950800 CPU: 2754.56, 0.00290035/step Wall: 2754.56, 0.00290035/step, 3.26225 hours remaining, 208.441406 MB of memory in use. ENERGY: 950800 764.5304 2072.7119 1941.7489 113.7559 -206418.1327 18183.4916 0.0000 0.0000 34569.6573 -148772.2367 301.9054 -183341.8940 -148674.9862 301.1069 116.0043 148.8918 557875.0434 -4.1441 -4.2627 PRESSURE: 951000 -34.0725 63.0764 -2.03463 63.0759 -196.298 -66.4945 -2.03462 -66.4932 -30.9073 GPRESSURE: 951000 10.775 99.426 -45.2982 71.2248 -187.348 -46.7022 -4.98852 -73.643 14.2832 PRESSAVG: 951000 -15.1559 35.711 -20.1666 35.7111 -56.402 -31.1157 -20.1666 -31.1157 45.9126 GPRESSAVG: 951000 -14.7056 37.8368 -21.8309 32.385 -55.7832 -30.5802 -23.3403 -29.4531 44.6175 TIMING: 951000 CPU: 2755.13, 0.00287514/step Wall: 2755.13, 0.00287514/step, 3.23374 hours remaining, 208.441406 MB of memory in use. ENERGY: 951000 742.1262 2108.7273 1934.3513 111.9217 -205781.3295 17587.2424 0.0000 0.0000 34527.3735 -148769.5871 301.5361 -183296.9607 -148665.3683 301.0699 -87.0927 -54.0967 558286.2639 -8.5484 -8.6237 PRESSURE: 951200 111.991 -7.35287 -6.01499 -7.35171 113.335 -13.3812 -6.0141 -13.3807 259.66 GPRESSURE: 951200 137.165 -11.1785 -32.6402 44.1153 151.827 -61.759 19.9368 15.0318 296.477 PRESSAVG: 951200 18.8053 37.8328 -24.931 37.8327 -59.0715 -28.8645 -24.9311 -28.8644 56.4558 GPRESSAVG: 951200 18.1172 36.902 -22.74 41.1401 -58.0285 -28.1844 -26.3569 -30.3887 56.2195 TIMING: 951200 CPU: 2755.71, 0.00288385/step Wall: 2755.71, 0.00288385/step, 3.24337 hours remaining, 208.441406 MB of memory in use. ENERGY: 951200 745.5898 2069.3864 1936.0540 109.0412 -206001.6267 18072.7185 0.0000 0.0000 34405.8718 -148662.9650 300.4750 -183068.8368 -148571.5871 300.5822 161.6621 195.1561 558122.9099 5.3965 5.4361 PRESSURE: 951400 -11.209 -70.7746 -106.232 -70.7743 145.749 96.8095 -106.233 96.8059 39.3106 GPRESSURE: 951400 -24.603 -117.089 -136.094 44.4918 225.394 40.2988 -141.234 111.491 70.1555 PRESSAVG: 951400 -82.5384 29.5973 -76.5914 29.5974 -23.6892 -12.273 -76.5915 -12.2731 76.4712 GPRESSAVG: 951400 -81.6668 30.5316 -77.5953 27.9396 -23.8854 -12.495 -74.014 -13.3871 76.1544 TIMING: 951400 CPU: 2756.29, 0.00288557/step Wall: 2756.29, 0.00288557/step, 3.24514 hours remaining, 208.441406 MB of memory in use. ENERGY: 951400 751.9691 2073.1620 1971.8137 128.9812 -206212.5103 17927.6174 0.0000 0.0000 34354.1032 -149004.8639 300.0229 -183358.9671 -148912.2183 299.3910 57.9504 90.3155 557389.1933 -9.9188 -9.7993 PRESSURE: 951600 -104.882 -2.2344 -264.12 -2.2349 -47.7881 -247.539 -264.119 -247.539 356.961 GPRESSURE: 951600 -90.0174 -23.1298 -182.199 -10.7431 14.1243 -141.177 -309.554 -153.132 369.935 PRESSAVG: 951600 -55.8612 46.05 -43.1582 46.0501 -19.7231 0.432772 -43.1583 0.432799 4.07472 GPRESSAVG: 951600 -55.712 46.3395 -41.6989 45.9433 -20.5221 1.38233 -45.7503 0.985465 4.98885 TIMING: 951600 CPU: 2756.87, 0.00291431/step Wall: 2756.87, 0.00291431/step, 3.2773 hours remaining, 208.441406 MB of memory in use. ENERGY: 951600 741.2577 2142.5758 1956.5947 127.5371 -206331.8525 17852.6314 0.0000 0.0000 34466.6411 -149044.6147 301.0057 -183511.2558 -148950.3529 299.8874 68.0969 98.0139 558851.1059 -23.8365 -23.7484 PRESSURE: 951800 22.1143 230.379 -93.8729 230.378 -0.85606 22.8457 -93.8729 22.848 185.002 GPRESSURE: 951800 35.9777 135.094 -96.1532 183.626 57.588 21.1985 -77.6989 -8.81639 201.59 PRESSAVG: 951800 -31.5276 40.0375 -21.2928 40.0374 -41.0336 -32.4214 -21.2928 -32.4214 108.055 GPRESSAVG: 951800 -30.9194 40.4263 -23.7383 38.3646 -41.0252 -34.0664 -20.7952 -31.0209 107.893 TIMING: 951800 CPU: 2757.46, 0.00292962/step Wall: 2757.46, 0.00292962/step, 3.29436 hours remaining, 208.441406 MB of memory in use. ENERGY: 951800 789.7886 2027.5319 1965.6295 118.8906 -206328.1480 18062.0006 0.0000 0.0000 34228.1890 -149136.1178 298.9233 -183364.3068 -149037.1182 299.6448 68.7534 98.3851 557384.6269 11.8314 11.9827 PRESSURE: 952000 117.417 72.3519 -19.5598 72.3519 -158.653 -56.8741 -19.5603 -56.8738 -68.277 GPRESSURE: 952000 201.287 28.477 -25.139 45.2809 -105.499 16.163 -59.1316 -50.3507 -101.323 PRESSAVG: 952000 -6.41567 3.65853 14.1109 3.65845 -19.2379 -23.0287 14.1109 -23.0288 15.9978 GPRESSAVG: 952000 -6.55993 1.43942 12.4952 5.29012 -19.2138 -23.717 15.3196 -23.2663 15.6885 TIMING: 952000 CPU: 2758.04, 0.00290354/step Wall: 2758.04, 0.00290354/step, 3.26487 hours remaining, 208.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 952000 793.7852 2101.4264 1960.0628 109.3452 -206458.0621 18054.2987 0.0000 0.0000 34208.1105 -149231.0334 298.7479 -183439.1439 -149139.9244 299.5908 -36.5042 -1.8449 558846.1152 -3.2186 -3.3617 PRESSURE: 952200 21.3979 145.222 91.2181 145.221 -180.981 -159.426 91.2176 -159.425 -109.375 GPRESSURE: 952200 34.6867 117.048 28.2207 132.351 -101.599 -187.768 53.5199 -93.8617 -112.029 PRESSAVG: 952200 4.62257 -9.26002 11.8691 -9.26001 14.119 -98.7068 11.8691 -98.7068 -64.982 GPRESSAVG: 952200 4.66989 -8.93933 13.7104 -8.13992 14.8028 -96.7121 13.458 -100.905 -65.5743 TIMING: 952200 CPU: 2758.61, 0.00288073/step Wall: 2758.61, 0.00288073/step, 3.23906 hours remaining, 208.441406 MB of memory in use. ENERGY: 952200 752.3731 2071.4783 1905.9407 126.0086 -206212.1793 17701.6187 0.0000 0.0000 34379.0244 -149275.7355 300.2406 -183654.7599 -149174.9983 298.8842 -89.6527 -59.6471 557781.4941 -15.4135 -15.3672 LDB: ============= START OF LOAD BALANCING ============== 2762 LDB: ============== END OF LOAD BALANCING =============== 2762 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2762 LDB: ============= START OF LOAD BALANCING ============== 2762.29 LDB: Largest compute 4820 load 0.027472 is 23.3% of average load 0.118030 LDB: Average compute 0.001718 is 1.5% of average load 0.118030 LDB: TIME 2762.29 LOAD: AVG 0.11803 MAX 0.183081 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 2762.29 LOAD: AVG 0.11803 MAX 0.183081 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: TIME 2762.29 LOAD: AVG 0.11803 MAX 0.183081 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: ============== END OF LOAD BALANCING =============== 2762.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2762.3 PRESSURE: 952400 -20.1363 10.8927 48.1706 10.8943 -143.77 33.8771 48.1715 33.8771 347.519 GPRESSURE: 952400 17.6271 -41.1643 41.7963 -4.8178 -100.382 46.2622 45.5802 -25.8131 369.757 PRESSAVG: 952400 -11.2646 17.5578 -50.8373 17.5579 28.7231 -83.3808 -50.8373 -83.3809 -22.5484 GPRESSAVG: 952400 -12.6592 17.14 -51.6902 17.735 28.4533 -84.0869 -51.8701 -82.9274 -21.2067 TIMING: 952400 CPU: 2759.2, 0.0029515/step Wall: 2759.2, 0.0029515/step, 3.31847 hours remaining, 207.457031 MB of memory in use. ENERGY: 952400 747.8837 2042.9081 1955.4297 115.3604 -206539.6499 17998.4561 0.0000 0.0000 34433.6955 -149245.9164 300.7180 -183679.6120 -149144.8415 299.9060 61.2040 95.6674 557893.5422 -1.6966 -1.8042 PRESSURE: 952600 -85.0751 -48.4391 -192.681 -48.4398 -43.8587 -0.819094 -192.68 -0.820478 -109.734 GPRESSURE: 952600 8.88188 -37.2844 -175.786 -88.065 -36.9358 78.7526 -132.051 -32.7179 -103.434 PRESSAVG: 952600 -20.3805 27.6108 -21.634 27.6109 -15.3783 -4.1968 -21.634 -4.19673 80.5612 GPRESSAVG: 952600 -20.6446 30.2024 -19.1163 23.9206 -15.2355 -2.8776 -23.1911 -3.48857 80.3433 TIMING: 952600 CPU: 2759.78, 0.00286969/step Wall: 2759.78, 0.00286969/step, 3.22632 hours remaining, 207.457031 MB of memory in use. ENERGY: 952600 733.1366 2109.1870 1962.7287 123.7248 -206293.0804 17871.6971 0.0000 0.0000 34228.3072 -149264.2989 298.9243 -183492.6061 -149170.7845 298.7726 -79.5558 -43.8294 557087.7116 14.9342 14.8211 PRESSURE: 952800 -145.704 30.1867 -67.4013 30.187 -148.068 -58.1072 -67.4016 -58.1058 -20.5912 GPRESSURE: 952800 -109.125 32.7531 -103.911 17.7373 -79.9169 -91.1549 -134.407 -29.11 -28.6299 PRESSAVG: 952800 -38.6777 -6.08526 -22.0639 -6.08521 27.6302 -7.01253 -22.064 -7.01247 32.9165 GPRESSAVG: 952800 -36.9448 -6.6563 -23.6944 -3.02012 26.497 -8.4666 -20.9153 -6.06581 32.1556 TIMING: 952800 CPU: 2760.36, 0.00289417/step Wall: 2760.36, 0.00289417/step, 3.25369 hours remaining, 207.457031 MB of memory in use. ENERGY: 952800 747.5623 2124.2137 1973.5301 107.1731 -205874.1940 17521.7403 0.0000 0.0000 34110.5708 -149289.4037 297.8961 -183399.9746 -149202.9609 298.8687 -104.7875 -72.5572 556091.5345 7.2897 7.2359 PRESSURE: 953000 -171.946 -94.5122 -159.564 -94.5118 -35.1817 42.4701 -159.564 42.4705 211.556 GPRESSURE: 953000 -108.744 -156.737 -162.903 -98.8174 -25.1458 -19.1192 -133.346 22.8608 241.808 PRESSAVG: 953000 22.8074 1.97583 -5.11671 1.97572 -17.2978 -20.6567 -5.11665 -20.6566 -28.4953 GPRESSAVG: 953000 22.0641 1.04593 -2.07836 0.465297 -17.2058 -19.0667 -7.32866 -24.3786 -27.9074 TIMING: 953000 CPU: 2760.93, 0.00286624/step Wall: 2760.93, 0.00286624/step, 3.22213 hours remaining, 207.656250 MB of memory in use. ENERGY: 953000 752.7588 2108.6467 1932.0776 112.8196 -206359.4405 17830.5888 0.0000 0.0000 34318.0840 -149304.4649 299.7084 -183622.5489 -149203.0761 299.1053 1.4763 35.9730 555631.3938 -7.6619 -7.6830 PRESSURE: 953200 -65.225 42.9789 108.192 42.9787 -128.981 32.8526 108.192 32.8541 293.474 GPRESSURE: 953200 -98.3172 30.6754 99.7667 7.88896 -65.7259 -50.3164 188.044 4.75382 368.432 PRESSAVG: 953200 -38.5016 -36.0891 -3.37449 -36.0891 14.0852 -6.33178 -3.37452 -6.33162 2.45676 GPRESSAVG: 953200 -39.5402 -35.2994 -5.97982 -36.7347 14.1109 -8.85479 -1.08671 -2.22683 3.38044 TIMING: 953200 CPU: 2761.5, 0.00286467/step Wall: 2761.5, 0.00286467/step, 3.22021 hours remaining, 207.656250 MB of memory in use. ENERGY: 953200 711.3908 2137.0008 1947.0602 129.7391 -206506.8294 17944.0557 0.0000 0.0000 34333.1693 -149304.4134 299.8401 -183637.5828 -149213.9603 299.4676 33.0895 68.1298 557198.5421 -7.3199 -7.3496 PRESSURE: 953400 -261.86 60.2646 -102.822 60.2646 -29.9409 -30.5955 -102.822 -30.5945 -191.3 GPRESSURE: 953400 -200.209 94.8975 -93.008 31.5269 -37.5035 -64.2467 -108.861 -28.8767 -148.583 PRESSAVG: 953400 -108.273 38.257 -24.306 38.2569 34.6045 0.351238 -24.3059 0.351333 46.0814 GPRESSAVG: 953400 -106.649 38.2496 -26.3586 40.0847 34.4263 1.99919 -23.8605 -0.706089 44.5782 TIMING: 953400 CPU: 2762.08, 0.00288634/step Wall: 2762.08, 0.00288634/step, 3.24441 hours remaining, 207.656250 MB of memory in use. ENERGY: 953400 759.8268 2105.8599 1946.7942 124.4137 -205713.3674 17474.1406 0.0000 0.0000 34255.4731 -149046.8590 299.1616 -183302.3321 -148951.4792 299.6254 -161.0337 -128.7651 557980.0515 -9.1958 -9.2149 PRESSURE: 953600 -23.7505 -16.5685 -103.77 -16.5683 -175.945 88.4984 -103.769 88.4983 234.34 GPRESSURE: 953600 32.1585 69.8838 -91.0371 -70.0719 -186.18 128.794 -86.8071 78.8184 284.613 PRESSAVG: 953600 -62.114 2.82627 26.5355 2.8263 67.6397 -41.1112 26.5357 -41.1112 -26.9971 GPRESSAVG: 953600 -62.3198 4.09683 29.5193 1.08706 68.0528 -40.9216 25.7819 -43.9393 -27.0493 TIMING: 953600 CPU: 2762.66, 0.00287677/step Wall: 2762.66, 0.00287677/step, 3.23349 hours remaining, 207.894531 MB of memory in use. ENERGY: 953600 725.4798 2195.4094 1953.8078 113.9914 -205857.7842 17730.4332 0.0000 0.0000 34217.3368 -148921.3258 298.8285 -183138.6626 -148821.6039 299.4620 11.5483 43.5305 557963.5497 -7.1571 -7.1054 PRESSURE: 953800 121.037 -198.294 76.1399 -198.294 26.0789 24.5499 76.1411 24.5491 -125.633 GPRESSURE: 953800 128.667 -218.355 162.832 -113.593 52.1614 43.8429 70.5492 43.7716 -54.8046 PRESSAVG: 953800 2.90732 -5.12832 9.96023 -5.12833 -13.1166 17.8877 9.96039 17.8878 6.91633 GPRESSAVG: 953800 2.99734 -6.27329 9.11696 -3.51678 -12.6735 15.8485 10.9542 21.7538 6.63739 TIMING: 953800 CPU: 2763.23, 0.00288273/step Wall: 2763.23, 0.00288273/step, 3.24003 hours remaining, 207.894531 MB of memory in use. ENERGY: 953800 745.3775 2129.2922 1955.0552 115.2795 -205859.7721 17743.8256 0.0000 0.0000 34250.1697 -148920.7726 299.1153 -183170.9423 -148826.8458 299.3319 7.1610 42.0081 559634.3360 -1.0977 -1.0129 PRESSURE: 954000 146.2 -34.2078 134.692 -34.2066 82.6051 -99.6714 134.693 -99.6727 -322.986 GPRESSURE: 954000 183.803 -21.8429 123.515 -2.75079 65.7216 -155.445 92.7431 -65.49 -252.556 PRESSAVG: 954000 9.55886 9.75585 -4.61532 9.75575 -30.9262 -26.9181 -4.61523 -26.9181 -7.55201 GPRESSAVG: 954000 8.62936 8.18722 -2.31626 9.91373 -30.7884 -24.9063 -6.28802 -26.6251 -6.7563 TIMING: 954000 CPU: 2763.81, 0.00287679/step Wall: 2763.81, 0.00287679/step, 3.23319 hours remaining, 207.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 954000 763.2113 2115.1509 1939.1069 102.3736 -205781.9438 17712.6772 0.0000 0.0000 34241.1163 -148908.3076 299.0362 -183149.4239 -148803.8268 299.9539 -31.3937 -1.0105 557090.6499 -9.6398 -9.6385 PRESSURE: 954200 -146.663 63.0236 45.5462 63.0229 -141.202 -119.23 45.5463 -119.232 10.5134 GPRESSURE: 954200 -91.1476 67.0032 75.6188 -82.2111 -140.88 -122.302 2.5538 -139.297 36.9855 PRESSAVG: 954200 -9.8588 51.0251 18.0175 51.0252 63.3552 -28.4652 18.0175 -28.4652 -35.2922 GPRESSAVG: 954200 -8.34289 52.16 15.2021 49.2458 61.6923 -29.8434 19.1953 -30.4238 -35.6577 TIMING: 954200 CPU: 2764.39, 0.002889/step Wall: 2764.39, 0.002889/step, 3.24676 hours remaining, 207.894531 MB of memory in use. ENERGY: 954200 766.2958 2139.3919 1956.4193 107.6375 -205997.1746 17670.8904 0.0000 0.0000 34382.8201 -148973.7196 300.2737 -183356.5397 -148869.8307 299.6247 -92.4504 -65.0140 556884.2290 6.0681 5.8972 PRESSURE: 954400 8.73756 50.8148 73.5326 50.8149 -124.07 15.54 73.5316 15.541 422.425 GPRESSURE: 954400 17.6829 70.4943 -34.0158 79.2585 -90.0481 127.271 95.5851 -165.043 468.555 PRESSAVG: 954400 12.0335 -3.64487 -2.13622 -3.64493 16.3464 46.8026 -2.13628 46.8025 23.48 GPRESSAVG: 954400 10.0274 -2.7856 -0.593052 -3.35804 18.4826 47.373 -0.35175 47.5415 23.807 TIMING: 954400 CPU: 2764.96, 0.00288053/step Wall: 2764.96, 0.00288053/step, 3.23707 hours remaining, 207.894531 MB of memory in use. ENERGY: 954400 759.1035 2163.6560 1954.8382 116.8131 -205738.8786 17629.8516 0.0000 0.0000 34196.4730 -148918.1432 298.6463 -183114.6162 -148826.6609 300.2582 102.3640 132.0633 556595.1634 17.2866 17.4390 PRESSURE: 954600 152.532 156.457 62.8659 156.455 368.692 -30.5617 62.8652 -30.5617 -94.3932 GPRESSURE: 954600 175.829 114.764 -26.919 195.687 430.07 -3.81197 97.2097 -27.0467 -73.6812 PRESSAVG: 954600 -95.5344 6.76256 -4.95759 6.76245 67.3486 3.45768 -4.95776 3.45763 21.5153 GPRESSAVG: 954600 -94.6812 5.35173 -4.53123 7.86414 66.0845 1.76469 -5.61463 4.53181 22.4097 TIMING: 954600 CPU: 2765.54, 0.00289341/step Wall: 2765.54, 0.00289341/step, 3.25139 hours remaining, 207.894531 MB of memory in use. ENERGY: 954600 734.6134 2164.5484 1954.4271 134.5454 -206115.7633 17874.6564 0.0000 0.0000 34326.5227 -148926.4499 299.7821 -183252.9726 -148831.2301 299.2636 142.2771 177.4057 556221.0772 -2.2235 -2.0624 PRESSURE: 954800 190.262 -62.111 75.6148 -62.1103 -155.059 33.5774 75.6155 33.5775 -153.707 GPRESSURE: 954800 177.221 -105.232 125.266 57.7083 -108.012 -5.77757 38.9866 17.7916 -78.908 PRESSAVG: 954800 32.2728 19.2374 32.0653 19.2374 10.6852 -17.182 32.0653 -17.1821 -43.069 GPRESSAVG: 954800 31.7931 19.6785 31.9835 18.7599 11.9287 -14.8562 30.1036 -20.1005 -44.187 TIMING: 954800 CPU: 2766.12, 0.00290893/step Wall: 2766.12, 0.00290893/step, 3.26866 hours remaining, 207.894531 MB of memory in use. ENERGY: 954800 754.1886 2117.8796 1972.4809 106.7733 -205966.2319 17798.8269 0.0000 0.0000 34198.1221 -149017.9604 298.6607 -183216.0826 -148924.3168 299.7192 -39.5015 -3.2329 558514.6083 -0.0370 -0.1551 PRESSURE: 955000 55.5953 113.74 -83.6396 113.74 -78.8488 -12.5855 -83.6413 -12.5846 233.806 GPRESSURE: 955000 67.4284 172.571 -107.662 40.3601 -17.7067 72.3702 -67.3474 -74.4046 250.794 PRESSAVG: 955000 51.82 -42.2402 -23.8516 -42.2402 -22.7572 46.2014 -23.8516 46.2015 6.33159 GPRESSAVG: 955000 52.2268 -40.5583 -25.3429 -43.606 -24.0242 46.2197 -21.4042 47.8908 6.73251 TIMING: 955000 CPU: 2766.7, 0.00291165/step Wall: 2766.7, 0.00291165/step, 3.27157 hours remaining, 207.894531 MB of memory in use. ENERGY: 955000 753.5099 2150.1265 1913.4937 118.4293 -205927.2728 17634.0371 0.0000 0.0000 34287.9533 -149069.7229 299.4452 -183357.6762 -148972.8619 299.4387 70.1840 100.1718 557803.7399 11.7981 11.6451 PRESSURE: 955200 4.92721 35.3385 -218.473 35.3371 -119.311 2.55691 -218.473 2.55726 -373.528 GPRESSURE: 955200 18.5925 66.0678 -220.088 -52.4178 -48.5128 57.9427 -241.677 -75.745 -357.091 PRESSAVG: 955200 28.6174 67.1704 -22.3395 67.1703 55.9051 16.9212 -22.3396 16.9212 -64.1354 GPRESSAVG: 955200 28.4283 66.255 -23.4281 69.2334 55.9266 16.5813 -22.6162 15.7353 -63.5759 TIMING: 955200 CPU: 2767.29, 0.00292111/step Wall: 2767.29, 0.00292111/step, 3.28203 hours remaining, 207.894531 MB of memory in use. ENERGY: 955200 777.3520 2127.3464 1921.6546 112.6744 -205811.8607 17472.2390 0.0000 0.0000 34282.3681 -149118.2261 299.3964 -183400.5942 -149024.4899 299.8191 -162.6374 -129.0037 556875.8344 6.7957 6.9263 PRESSURE: 955400 172.132 -48.268 -75.8018 -48.2663 289.061 -32.6403 -75.8015 -32.6391 -51.9935 GPRESSURE: 955400 205.434 -151.596 -40.7827 31.1989 287.076 -59.1024 -143.43 69.8128 19.6137 PRESSAVG: 955400 40.3792 91.175 30.9489 91.175 -50.2994 -23.2174 30.9489 -23.2175 -22.5985 GPRESSAVG: 955400 40.6965 89.6727 34.9916 93.4614 -49.2048 -21.5865 26.8327 -23.856 -23.9229 TIMING: 955400 CPU: 2767.87, 0.00289383/step Wall: 2767.87, 0.00289383/step, 3.25121 hours remaining, 207.894531 MB of memory in use. ENERGY: 955400 763.8054 2167.0907 1948.2857 117.1845 -206323.7118 18007.0626 0.0000 0.0000 34172.5723 -149147.7106 298.4376 -183320.2829 -149058.8456 299.1037 136.3998 170.7077 556897.1229 -10.8396 -10.8104 PRESSURE: 955600 -248.664 -89.7384 -52.11 -89.7386 -203.379 -84.7042 -52.1105 -84.7029 -288.994 GPRESSURE: 955600 -167.351 -86.5915 -19.2963 -87.178 -261.403 -45.8033 -118.794 -98.1977 -215.239 PRESSAVG: 955600 27.2863 24.6639 -26.7886 24.6639 62.1274 -2.36952 -26.7886 -2.36952 -70.6572 GPRESSAVG: 955600 28.0286 24.8312 -29.1397 23.1836 60.486 -4.68966 -23.0883 -0.945044 -69.8151 TIMING: 955600 CPU: 2768.44, 0.00288214/step Wall: 2768.44, 0.00288214/step, 3.23793 hours remaining, 207.894531 MB of memory in use. ENERGY: 955600 762.6053 2133.7174 1912.4968 123.3966 -205664.4069 17353.1182 0.0000 0.0000 34149.8995 -149229.1731 298.2396 -183379.0726 -149122.9862 299.2215 -247.0125 -214.6641 557580.4712 6.2522 6.2332 PRESSURE: 955800 -233.09 -33.9035 -82.2681 -33.9034 -323.951 -58.9591 -82.2671 -58.9592 -170.664 GPRESSURE: 955800 -180.25 12.9135 -67.5788 -19.6552 -301.403 -116.62 -119.37 -49.3129 -142.897 PRESSAVG: 955800 5.27586 12.7797 20.8251 12.7798 -8.2267 -45.3259 20.8252 -45.3258 20.379 GPRESSAVG: 955800 4.79236 14.5861 20.5996 11.9232 -7.25404 -45.8527 20.6915 -44.6933 19.2829 TIMING: 955800 CPU: 2769.02, 0.00285643/step Wall: 2769.02, 0.00285643/step, 3.20888 hours remaining, 207.894531 MB of memory in use. ENERGY: 955800 811.4584 2133.6528 1931.4147 114.6484 -205788.1719 17411.7393 0.0000 0.0000 34295.5661 -149089.6922 299.5117 -183385.2583 -148990.9471 299.5605 -242.5685 -208.1831 558003.2747 5.8094 5.6071 PRESSURE: 956000 -246.717 -46.1183 -2.36835 -46.1174 -281.445 50.3287 -2.36912 50.3289 -232.84 GPRESSURE: 956000 -195.663 -15.6611 -26.4478 -44.9654 -220.509 61.4163 -76.2977 102.347 -255.34 PRESSAVG: 956000 -3.88897 -31.3697 14.316 -31.3696 -22.1744 -12.7717 14.3159 -12.7718 -1.29877 GPRESSAVG: 956000 -4.38659 -33.1155 13.2724 -29.3506 -22.1993 -12.7939 14.4172 -14.2756 -0.399254 TIMING: 956000 CPU: 2769.59, 0.00288631/step Wall: 2769.59, 0.00288631/step, 3.24229 hours remaining, 207.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 956000 755.2221 2106.1585 1927.5736 110.9200 -205663.1172 17507.9426 0.0000 0.0000 34191.7140 -149063.5864 298.6047 -183255.3004 -148975.4650 299.9475 -253.6674 -223.8375 559583.5077 -9.1207 -8.9950 PRESSURE: 956200 -137.518 -37.5595 -36.7652 -37.5591 -75.5086 -44.5528 -36.7648 -44.5541 -33.2892 GPRESSURE: 956200 -56.5134 -92.1334 -27.9519 34.7355 -119.547 -8.72298 -16.5391 -68.9135 18.782 PRESSAVG: 956200 -72.0518 -78.7875 9.84972 -78.7875 68.3127 12.4559 9.84979 12.456 2.47452 GPRESSAVG: 956200 -71.6427 -78.8429 10.8424 -79.3894 66.8869 12.1502 9.82726 15.0476 3.35169 TIMING: 956200 CPU: 2770.17, 0.00289965/step Wall: 2770.17, 0.00289965/step, 3.25711 hours remaining, 207.894531 MB of memory in use. ENERGY: 956200 738.0222 2075.1879 1942.3850 130.6904 -205988.7517 17888.7075 0.0000 0.0000 34176.7413 -149037.0175 298.4740 -183213.7589 -148937.2440 299.5497 -82.1053 -52.4262 559629.2762 -0.4215 -0.4680 LDB: ============= START OF LOAD BALANCING ============== 2773.56 LDB: ============== END OF LOAD BALANCING =============== 2773.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2773.56 LDB: ============= START OF LOAD BALANCING ============== 2773.85 LDB: Largest compute 4820 load 0.027413 is 23.2% of average load 0.118003 LDB: Average compute 0.001714 is 1.5% of average load 0.118003 LDB: TIME 2773.85 LOAD: AVG 0.118003 MAX 0.18628 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.02 MB LDB: TIME 2773.85 LOAD: AVG 0.118003 MAX 0.18628 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: TIME 2773.85 LOAD: AVG 0.118003 MAX 0.18628 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2773.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2773.86 PRESSURE: 956400 -283.698 -32.6644 -164.777 -32.6637 -107.087 171.337 -164.777 171.337 -223.267 GPRESSURE: 956400 -234.09 2.22426 -193.705 -5.71793 -82.3757 176.581 -63.3515 105.658 -204.424 PRESSAVG: 956400 -65.6932 -18.8454 25.3083 -18.8455 98.9435 35.1955 25.3084 35.1955 -8.75014 GPRESSAVG: 956400 -64.5138 -16.6725 25.6588 -20.91 99.3745 35.1805 24.4275 34.119 -10.783 TIMING: 956400 CPU: 2770.76, 0.00295163/step Wall: 2770.76, 0.00295163/step, 3.31533 hours remaining, 205.335938 MB of memory in use. ENERGY: 956400 752.9452 2076.4564 1942.1890 117.8121 -205653.8032 17554.6378 0.0000 0.0000 34020.5471 -149189.2154 297.1099 -183209.7625 -149094.1851 299.2979 -204.6839 -173.6298 558817.6783 8.1667 8.0259 PRESSURE: 956600 35.0782 11.0963 78.8036 11.0949 127.685 105.892 78.8024 105.892 -265.783 GPRESSURE: 956600 66.8407 72.6891 66.7348 -0.260032 130.652 153.489 65.1051 92.3075 -204.94 PRESSAVG: 956600 78.6722 6.4574 -41.7679 6.45744 4.94226 94.2156 -41.7679 94.2156 -43.1857 GPRESSAVG: 956600 77.5999 5.41378 -42.0089 6.39011 5.01289 93.9633 -39.849 94.3443 -42.5728 TIMING: 956600 CPU: 2771.34, 0.00287327/step Wall: 2771.34, 0.00287327/step, 3.22716 hours remaining, 205.335938 MB of memory in use. ENERGY: 956600 767.1527 2094.6886 1951.9634 109.1161 -206423.4556 17945.5564 0.0000 0.0000 34296.8398 -149258.1386 299.5228 -183554.9784 -149160.3192 299.0841 -34.3401 -2.4825 557810.0468 13.4763 13.3467 PRESSURE: 956800 99.5854 -46.75 -40.0654 -46.7498 -70.4433 159.521 -40.0654 159.523 15.4141 GPRESSURE: 956800 87.0734 -16.0039 -78.8623 -4.62361 4.77085 166.193 -105.926 86.0832 54.7679 PRESSAVG: 956800 -61.3931 -28.5125 6.18381 -28.5124 14.8939 58.2506 6.18384 58.2505 58.7335 GPRESSAVG: 956800 -61.0618 -29.9192 6.84665 -26.7137 15.5127 59.2766 4.50873 57.4637 58.3387 TIMING: 956800 CPU: 2771.91, 0.00286472/step Wall: 2771.91, 0.00286472/step, 3.2174 hours remaining, 205.335938 MB of memory in use. ENERGY: 956800 740.3355 2072.1959 1941.3290 111.3118 -206515.8833 17982.3440 0.0000 0.0000 34337.3453 -149331.0218 299.8766 -183668.3671 -149234.9450 299.2698 14.8520 48.8707 557347.8448 4.0781 4.2632 PRESSURE: 957000 -70.2684 143.666 -99.343 143.666 -70.9652 110.246 -99.3434 110.248 -171.161 GPRESSURE: 957000 -14.0888 77.1682 -93.0669 82.2885 -103.404 96.742 -29.8138 135.316 -105.209 PRESSAVG: 957000 22.3756 -14.435 -19.3867 -14.435 -60.817 43.0723 -19.3866 43.0723 9.70695 GPRESSAVG: 957000 22.5572 -11.6724 -20.0385 -16.2751 -61.9482 44.1088 -18.9205 41.709 9.95831 TIMING: 957000 CPU: 2772.49, 0.00287674/step Wall: 2772.49, 0.00287674/step, 3.23074 hours remaining, 205.335938 MB of memory in use. ENERGY: 957000 739.1625 2058.2892 1989.5276 117.2588 -206131.2547 17746.2640 0.0000 0.0000 34105.6596 -149375.0930 297.8532 -183480.7526 -149275.7981 298.7227 -104.1315 -74.2342 559232.8035 -9.5781 -9.8109 PRESSURE: 957200 113.8 60.5221 -63.8342 60.5224 200.311 64.4725 -63.8349 64.4727 87.9783 GPRESSURE: 957200 125.284 120.069 -77.5548 -58.4328 247.579 47.809 -65.4565 92.1336 140.398 PRESSAVG: 957200 -5.88256 -3.33301 -57.2092 -3.33301 -60.3417 3.01151 -57.2092 3.01155 9.14287 GPRESSAVG: 957200 -6.58694 -5.09135 -58.57 -2.50378 -60.5761 1.57212 -55.9454 5.85478 10.4 TIMING: 957200 CPU: 2773.06, 0.00289242/step Wall: 2773.06, 0.00289242/step, 3.24819 hours remaining, 205.335938 MB of memory in use. ENERGY: 957200 744.4889 2115.0726 1902.2131 100.7917 -206767.5018 18311.6520 0.0000 0.0000 34300.4878 -149292.7956 299.5547 -183593.2834 -149193.2345 299.3526 134.0296 171.0868 557861.8253 -19.0271 -18.9210 PRESSURE: 957400 -46.5603 39.632 70.1453 39.6312 195.079 -135.242 70.1456 -135.241 282.511 GPRESSURE: 957400 -66.1081 26.0332 41.7874 77.6187 239.331 -147.33 94.4725 -100.241 351.112 PRESSAVG: 957400 -31.2455 13.1051 -29.3274 13.1051 5.45437 23.6476 -29.3274 23.6477 29.9904 GPRESSAVG: 957400 -31.4398 14.5967 -27.1113 12.9821 7.12875 25.4379 -31.3937 22.8463 28.1487 TIMING: 957400 CPU: 2773.65, 0.00291123/step Wall: 2773.65, 0.00291123/step, 3.26915 hours remaining, 205.539062 MB of memory in use. ENERGY: 957400 755.0959 2101.5152 1947.3147 118.0295 -206888.0778 18268.9227 0.0000 0.0000 34324.8476 -149372.3521 299.7674 -183697.1997 -149274.8251 298.9804 143.6767 174.7783 557386.6630 1.3998 1.2792 PRESSURE: 957600 75.6119 -106.602 11.643 -106.601 130.732 -60.4172 11.6442 -60.4174 187.602 GPRESSURE: 957600 145.982 -76.4651 16.9225 -101.493 118.963 22.1239 -61.062 -41.7962 234.103 PRESSAVG: 957600 -33.1053 24.0344 72.2827 24.0345 -52.0691 -22.1087 72.2826 -22.1086 101.673 GPRESSAVG: 957600 -32.8506 23.2572 72.1903 24.6044 -53.1688 -22.3565 71.9054 -21.7043 102.915 TIMING: 957600 CPU: 2774.23, 0.00289847/step Wall: 2774.23, 0.00289847/step, 3.25466 hours remaining, 205.539062 MB of memory in use. ENERGY: 957600 747.4860 2035.8969 1974.6866 131.3828 -206417.7944 18010.8962 0.0000 0.0000 34301.1169 -149216.3290 299.5602 -183517.4459 -149122.6490 299.0527 131.3155 166.3496 556398.4326 5.4996 5.6317 PRESSURE: 957800 96.2711 26.5903 -2.19865 26.5906 -23.6204 26.7425 -2.20065 26.744 279.288 GPRESSURE: 957800 133.104 -13.4815 -52.6193 13.5265 26.069 3.85453 -4.44281 76.1425 297.158 PRESSAVG: 957800 -6.39373 -3.69136 -44.2596 -3.69131 -51.0292 -6.18039 -44.2595 -6.18039 77.0923 GPRESSAVG: 957800 -7.3468 -2.77196 -44.2693 -3.7698 -51.1089 -7.59866 -43.1089 -7.1618 78.0555 TIMING: 957800 CPU: 2774.8, 0.00289242/step Wall: 2774.8, 0.00289242/step, 3.2477 hours remaining, 205.539062 MB of memory in use. ENERGY: 957800 758.2042 2153.3128 1948.1069 107.3918 -206446.9654 18124.2006 0.0000 0.0000 34225.6287 -149130.1203 298.9009 -183355.7491 -149033.0314 299.9555 117.3129 152.1103 557343.2941 6.5565 6.5332 PRESSURE: 958000 -140.223 30.5497 -86.4472 30.5505 -318.628 -142.59 -86.4474 -142.59 64.7446 GPRESSURE: 958000 -136.846 77.125 -64.4388 -20.8489 -281.959 -109.859 -65.0527 -171.317 114.305 PRESSAVG: 958000 -43.0794 77.389 -59.5498 77.389 9.36982 -6.35214 -59.5498 -6.35204 24.7035 GPRESSAVG: 958000 -42.3846 76.9899 -61.2897 76.5494 10.0454 -4.05904 -60.0237 -7.08021 23.931 TIMING: 958000 CPU: 2775.38, 0.00288494/step Wall: 2775.38, 0.00288494/step, 3.23914 hours remaining, 205.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 958000 772.8112 2134.3608 1967.0942 113.0873 -205766.0361 17684.7455 0.0000 0.0000 34091.9306 -149002.0065 297.7333 -183093.9371 -148908.1256 299.9102 -131.3685 -101.4999 558892.9030 -3.0020 -2.8028 PRESSURE: 958200 165.896 -123.016 -43.4782 -123.016 -49.5229 -25.6785 -43.4788 -25.6798 -455.947 GPRESSURE: 958200 180.94 -120.202 -11.0103 -118.633 -20.5059 -140.378 -40.379 47.2474 -400.5 PRESSAVG: 958200 33.8627 -34.3808 -64.3256 -34.3809 -2.57966 -17.6656 -64.3257 -17.6657 -6.97504 GPRESSAVG: 958200 33.7068 -35.297 -63.7549 -32.601 -2.48648 -18.562 -63.8101 -17.4219 -6.73529 TIMING: 958200 CPU: 2775.97, 0.00292369/step Wall: 2775.97, 0.00292369/step, 3.28249 hours remaining, 205.539062 MB of memory in use. ENERGY: 958200 720.3839 2083.3470 1922.5937 114.2352 -205993.6890 17618.3620 0.0000 0.0000 34302.0443 -149232.7229 299.5683 -183534.7672 -149131.2433 299.3231 -113.1913 -80.0221 557497.1970 8.1027 8.1617 PRESSURE: 958400 -57.288 80.9466 45.4498 80.9469 8.83312 110.479 45.4522 110.478 -24.7343 GPRESSURE: 958400 17.5588 81.3913 82.9971 84.1587 -10.0901 147.129 -2.22906 80.194 10.7959 PRESSAVG: 958400 39.4397 -38.5774 -9.52951 -38.5774 -9.0188 0.160225 -9.52948 0.160313 -55.8557 GPRESSAVG: 958400 39.2457 -37.2683 -8.67101 -40.4067 -9.00399 1.00597 -11.2172 -0.197862 -55.5417 TIMING: 958400 CPU: 2776.55, 0.00291464/step Wall: 2776.55, 0.00291463/step, 3.27216 hours remaining, 205.539062 MB of memory in use. ENERGY: 958400 779.3360 2101.7119 1924.1953 107.9480 -206124.3040 17721.0994 0.0000 0.0000 34205.4099 -149284.6035 298.7244 -183490.0134 -149187.4499 298.5862 -24.3964 6.0882 556997.7570 -8.4783 -8.4333 PRESSURE: 958600 74.9044 167.171 36.3257 167.17 360.989 103.56 36.3251 103.561 241.175 GPRESSURE: 958600 166.142 214.824 -36.8731 176.5 321.121 185.457 100.234 53.3429 288.631 PRESSAVG: 958600 100.851 34.0659 -42.5049 34.0659 -64.1894 18.6001 -42.5049 18.6 -34.5813 GPRESSAVG: 958600 101.225 33.7698 -43.1379 34.7986 -64.1689 19.3349 -43.915 18.2138 -34.7823 TIMING: 958600 CPU: 2777.13, 0.00291457/step Wall: 2777.13, 0.00291457/step, 3.27192 hours remaining, 205.539062 MB of memory in use. ENERGY: 958600 761.9099 2117.2684 1950.0894 100.5995 -206624.4432 18162.4126 0.0000 0.0000 34275.1763 -149256.9871 299.3336 -183532.1634 -149154.4716 299.4786 225.6896 258.6314 555396.0162 0.6935 0.7579 PRESSURE: 958800 -181.204 136.65 55.656 136.651 -134.283 -74.4416 55.6555 -74.4415 -194.052 GPRESSURE: 958800 -191.559 174.566 44.8879 68.602 -79.3831 -116.281 -67.0906 -22.6484 -147.444 PRESSAVG: 958800 27.0122 15.295 6.78385 15.295 -16.5357 43.0261 6.78395 43.0262 11.4698 GPRESSAVG: 958800 26.5154 13.1112 6.89954 17.7161 -16.5569 40.8827 7.79394 45.8223 11.59 TIMING: 958800 CPU: 2777.71, 0.00290007/step Wall: 2777.71, 0.00290007/step, 3.25549 hours remaining, 205.539062 MB of memory in use. ENERGY: 958800 769.4216 2108.6097 1916.9696 107.9652 -206262.3921 17590.5684 0.0000 0.0000 34475.0865 -149293.7710 301.0795 -183768.8575 -149194.3458 299.3894 -169.8465 -139.4622 558572.6204 7.3154 7.1829 PRESSURE: 959000 91.9626 205.029 3.90484 205.03 72.9337 -51.8897 3.90413 -51.8914 53.6489 GPRESSURE: 959000 151.063 233.478 75.062 241.661 103.347 -41.0191 74.4907 -34.2855 62.2836 PRESSAVG: 959000 31.6356 31.2101 -30.1101 31.2101 -27.0338 -21.0292 -30.1101 -21.0293 13.6028 GPRESSAVG: 959000 31.075 32.1543 -30.4548 28.4538 -25.449 -19.5168 -30.5946 -22.8202 13.1538 TIMING: 959000 CPU: 2778.3, 0.00291511/step Wall: 2778.3, 0.00291511/step, 3.27221 hours remaining, 205.539062 MB of memory in use. ENERGY: 959000 740.7016 2092.5834 1935.6915 122.5244 -206618.2534 18216.3338 0.0000 0.0000 34328.0857 -149182.3330 299.7957 -183510.4187 -149081.8711 299.5051 72.8484 105.5644 557517.9822 6.0682 6.2600 PRESSURE: 959200 42.2643 75.6628 -219.108 75.6625 -49.9065 43.8491 -219.107 43.8494 22.9059 GPRESSURE: 959200 45.9753 52.4325 -208.901 100.937 -53.5185 59.5606 -220.966 -92.1994 114.355 PRESSAVG: 959200 -48.5535 34.6918 -5.56964 34.6918 22.1082 -7.03439 -5.56973 -7.03438 30.5658 GPRESSAVG: 959200 -46.9885 35.3971 -6.3796 34.2254 21.2116 -6.88945 -3.71001 -8.27155 30.5893 TIMING: 959200 CPU: 2778.88, 0.00290516/step Wall: 2778.88, 0.00290516/step, 3.26088 hours remaining, 205.539062 MB of memory in use. ENERGY: 959200 791.7714 2104.6218 1936.4307 104.6557 -205907.9337 17726.2964 0.0000 0.0000 34317.0519 -148927.1058 299.6993 -183244.1577 -148829.8339 299.9661 5.0879 35.6041 558719.9230 1.3735 1.6041 PRESSURE: 959400 -17.3137 -58.9646 72.6092 -58.9651 -258.851 -148.556 72.6096 -148.556 -17.1994 GPRESSURE: 959400 11.2689 -102.585 100.053 -27.7066 -180.763 -93.3706 128.956 -140.477 -36.1431 PRESSAVG: 959400 -66.2812 37.4824 27.0095 37.4824 -35.9566 -0.947977 27.0095 -0.948078 80.1154 GPRESSAVG: 959400 -66.1502 37.0164 28.6365 38.9122 -35.5378 -0.927768 26.1155 -1.60892 79.8198 TIMING: 959400 CPU: 2779.46, 0.00290087/step Wall: 2779.46, 0.00290087/step, 3.2559 hours remaining, 205.539062 MB of memory in use. ENERGY: 959400 754.4667 2092.7221 1956.8463 114.5082 -206022.9462 17672.0009 0.0000 0.0000 34342.4311 -149089.9709 299.9210 -183432.4019 -148996.2669 299.4069 -97.7882 -68.5457 559861.0800 -7.3741 -7.2894 PRESSURE: 959600 -35.4435 -103.062 -170.961 -103.061 -179.482 57.1973 -170.961 57.1984 -217.295 GPRESSURE: 959600 -65.8584 -39.6194 -171.203 -112.081 -102.307 102.664 -202.364 119.236 -181.16 PRESSAVG: 959600 -53.7262 -6.49765 -32.1228 -6.49771 31.2257 -30.3936 -32.1228 -30.3935 17.7511 GPRESSAVG: 959600 -53.0326 -6.0852 -31.649 -7.82868 30.5184 -30.0717 -33.4806 -28.6826 18.113 TIMING: 959600 CPU: 2780.04, 0.00289268/step Wall: 2780.04, 0.00289268/step, 3.24655 hours remaining, 205.539062 MB of memory in use. ENERGY: 959600 739.1065 2081.0875 1933.6479 113.0039 -205882.7767 17497.5917 0.0000 0.0000 34357.3241 -149161.0151 300.0511 -183518.3391 -149069.8986 299.6335 -144.0735 -116.4419 557457.1043 -1.5831 -1.4671 PRESSURE: 959800 114.939 -86.5962 -35.8361 -86.5956 -114.224 64.7267 -35.8361 64.728 -187.957 GPRESSURE: 959800 81.9849 -133.795 -3.52096 -14.2831 -38.8371 104.997 -45.4329 60.3376 -124.876 PRESSAVG: 959800 -26.6704 11.6235 -72.23 11.6235 46.8426 -19.2153 -72.23 -19.2153 -9.50941 GPRESSAVG: 959800 -28.1883 13.0395 -71.4737 12.5063 48.0703 -21.8544 -71.6032 -17.1679 -9.56262 TIMING: 959800 CPU: 2780.61, 0.00286767/step Wall: 2780.61, 0.00286767/step, 3.21832 hours remaining, 205.539062 MB of memory in use. ENERGY: 959800 737.2614 2089.1775 1961.7470 125.6616 -205865.7342 17819.0320 0.0000 0.0000 34139.4851 -148993.3695 298.1486 -183132.8546 -148897.7168 299.9946 -62.4140 -27.2428 557130.3601 3.5543 3.4398 PRESSURE: 960000 -6.34425 -60.2361 56.8017 -60.2357 -54.7775 -2.94699 56.801 -2.94953 -91.7249 GPRESSURE: 960000 55.1425 -9.91887 20.5486 -201.98 -42.6627 2.68559 116.029 40.9189 -73.4473 PRESSAVG: 960000 30.5692 23.2651 -28.774 23.2651 -20.6276 -12.4886 -28.7741 -12.4887 6.53899 GPRESSAVG: 960000 29.8776 22.2675 -30.4974 23.091 -20.7731 -14.8497 -26.6912 -13.5079 7.16062 TIMING: 960000 CPU: 2781.19, 0.00290644/step Wall: 2781.19, 0.00290644/step, 3.26167 hours remaining, 205.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 960000 779.4080 2131.0645 1941.4593 122.4813 -205912.7601 17774.0173 0.0000 0.0000 34198.0521 -148966.2776 298.6601 -183164.3297 -148866.0014 300.0243 -50.9489 -20.3225 556667.5750 5.4935 5.4217 PRESSURE: 960200 13.9709 -37.7715 52.8906 -37.7717 -216.551 -90.9736 52.8909 -90.9713 -57.0642 GPRESSURE: 960200 78.9452 62.2897 17.3288 -128.316 -220.753 -73.0809 -12.9443 -82.6982 -19.1884 PRESSAVG: 960200 -31.4844 -42.4987 -30.5119 -42.4988 -14.4287 -36.7304 -30.512 -36.7304 -0.00513844 GPRESSAVG: 960200 -30.2733 -42.2732 -28.6416 -44.144 -15.0538 -34.3738 -33.6833 -37.6819 -0.594305 TIMING: 960200 CPU: 2781.77, 0.00290253/step Wall: 2781.77, 0.00290253/step, 3.25712 hours remaining, 205.539062 MB of memory in use. ENERGY: 960200 731.6351 2141.6579 1963.4366 123.9648 -206017.5476 17683.5099 0.0000 0.0000 34403.9222 -148969.4211 300.4580 -183373.3434 -148871.8136 300.0745 -86.5481 -53.6655 556396.6770 -15.3061 -15.3071 LDB: ============= START OF LOAD BALANCING ============== 2785.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2785.15 LDB: =============== DONE WITH MIGRATION ================ 2785.16 LDB: ============= START OF LOAD BALANCING ============== 2785.45 LDB: Largest compute 4820 load 0.028730 is 24.4% of average load 0.117946 LDB: Average compute 0.001708 is 1.4% of average load 0.117946 LDB: TIME 2785.45 LOAD: AVG 0.117946 MAX 0.187497 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.672 MB LDB: TIME 2785.45 LOAD: AVG 0.117946 MAX 0.187497 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.672 MB LDB: TIME 2785.45 LOAD: AVG 0.117946 MAX 0.187497 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2785.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2785.45 PRESSURE: 960400 71.8098 -80.5815 150.307 -80.5822 -171.551 71.8107 150.308 71.8118 51.1655 GPRESSURE: 960400 125.263 -200.467 110.979 -32.6728 -133.333 41.2213 136.44 40.0317 66.5577 PRESSAVG: 960400 -20.4119 -74.0415 34.2216 -74.0415 7.60185 -9.40605 34.2215 -9.4059 11.9297 GPRESSAVG: 960400 -20.5538 -75.3323 33.5046 -72.571 6.75923 -8.43063 34.4686 -10.2243 12.9674 TIMING: 960400 CPU: 2782.36, 0.00294364/step Wall: 2782.36, 0.00294364/step, 3.30309 hours remaining, 207.531250 MB of memory in use. ENERGY: 960400 776.0491 2075.9959 1943.2259 114.4660 -205912.9014 17742.3456 0.0000 0.0000 34240.2948 -149020.5242 299.0290 -183260.8190 -148921.1357 299.9114 -16.1918 19.4958 557986.5184 -0.2935 -0.2757 PRESSURE: 960600 -191.767 17.6004 104.132 17.6 -84.8335 11.8122 104.132 11.8118 -252.096 GPRESSURE: 960600 -207.043 -66.3397 156.475 5.49886 -48.4159 46.3584 81.2529 -35.7072 -181.436 PRESSAVG: 960600 -5.65346 -6.51512 4.57384 -6.5152 -64.1491 3.42313 4.57383 3.42313 34.9764 GPRESSAVG: 960600 -6.38922 -3.46742 5.47992 -8.09045 -62.3025 3.17525 4.54188 3.60083 34.0642 TIMING: 960600 CPU: 2782.94, 0.00290972/step Wall: 2782.94, 0.00290972/step, 3.26487 hours remaining, 207.734375 MB of memory in use. ENERGY: 960600 734.4571 2130.6363 1939.3545 126.5130 -205699.5453 17520.1542 0.0000 0.0000 34173.8117 -149074.6186 298.4484 -183248.4303 -148974.0682 299.6913 -176.2322 -145.6317 558361.8781 -11.6087 -11.5425 PRESSURE: 960800 -2.55589 -30.0606 -29.0545 -30.0603 24.8756 -125.019 -29.0547 -125.02 242.69 GPRESSURE: 960800 24.2676 -16.6367 45.0761 -19.1548 70.5684 -85.952 -33.4549 -107.638 253.32 PRESSAVG: 960800 -22.4265 37.8664 -28.1405 37.8666 -13.9638 -55.2656 -28.1405 -55.2657 29.5561 GPRESSAVG: 960800 -20.6497 33.9839 -28.5929 37.8494 -15.0315 -55.4782 -28.0829 -53.6708 28.4525 TIMING: 960800 CPU: 2783.52, 0.00291174/step Wall: 2783.52, 0.00291174/step, 3.26697 hours remaining, 207.734375 MB of memory in use. ENERGY: 960800 767.7960 2076.6998 1938.8367 124.2495 -206349.2496 17914.8133 0.0000 0.0000 34605.9866 -148920.8676 302.2227 -183526.8543 -148817.9703 300.3433 88.3366 116.0521 556295.9031 -2.2781 -2.4096 PRESSURE: 961000 -182.881 -80.5107 109.657 -80.5091 -74.1328 -70.822 109.657 -70.8221 -59.1856 GPRESSURE: 961000 -201.057 -40.8621 22.3817 -133.782 -84.0574 -23.3528 123.619 -107.141 54.8504 PRESSAVG: 961000 -7.22523 -21.1766 -35.9155 -21.1766 22.4457 -26.7418 -35.9155 -26.7418 17.6194 GPRESSAVG: 961000 -9.44887 -20.4069 -37.9646 -19.7894 22.4463 -27.762 -35.4101 -27.1344 20.0651 TIMING: 961000 CPU: 2784.11, 0.00291784/step Wall: 2784.11, 0.00291784/step, 3.27365 hours remaining, 207.734375 MB of memory in use. ENERGY: 961000 741.2171 2132.6178 1928.1748 113.3508 -205762.2731 17544.6591 0.0000 0.0000 34206.8151 -149095.4385 298.7366 -183302.2536 -149005.3816 300.0614 -105.4000 -76.7546 558270.8930 10.9466 11.0208 PRESSURE: 961200 113.695 -118.42 -43.0161 -118.42 0.663202 -43.7034 -43.0167 -43.7032 -216.71 GPRESSURE: 961200 175.382 -71.7477 7.51999 -134.646 46.5647 -35.6179 -63.0946 -50.5811 -238.341 PRESSAVG: 961200 -22.8193 9.79841 -45.1354 9.7984 49.1058 -3.0899 -45.1352 -3.08997 -22.5116 GPRESSAVG: 961200 -21.5955 11.6035 -42.5185 8.9688 49.1727 -2.24444 -45.3564 -3.91272 -24.3096 TIMING: 961200 CPU: 2784.69, 0.00290282/step Wall: 2784.69, 0.00290282/step, 3.25665 hours remaining, 207.734375 MB of memory in use. ENERGY: 961200 739.1204 2128.1910 1933.5610 126.7114 -206173.9303 17856.0854 0.0000 0.0000 34220.1419 -149170.1192 298.8530 -183390.2611 -149081.9418 299.2502 -34.1175 -5.4650 557829.7818 1.2583 1.0892 PRESSURE: 961400 76.6749 20.2445 -24.3431 20.2452 225.401 182.099 -24.3429 182.1 -223.655 GPRESSURE: 961400 66.9862 -33.587 26.9478 111.205 272.617 136.192 -54.6077 142.784 -172.599 PRESSAVG: 961400 6.11948 -58.7915 -18.2779 -58.7915 -51.2588 25.9155 -18.278 25.9155 26.693 GPRESSAVG: 961400 7.18681 -60.2442 -17.1592 -57.8552 -51.7239 27.5784 -20.0916 26.062 26.603 TIMING: 961400 CPU: 2785.27, 0.00290365/step Wall: 2785.27, 0.00290365/step, 3.25742 hours remaining, 207.734375 MB of memory in use. ENERGY: 961400 746.5150 2101.2545 1942.5532 105.6772 -206302.1721 17830.4446 0.0000 0.0000 34233.0847 -149342.6429 298.9660 -183575.7276 -149246.0090 299.1418 26.1405 55.6681 557404.7130 -6.1488 -5.9780 PRESSURE: 961600 -230.227 -160.87 25.766 -160.869 -0.217715 51.1744 25.7667 51.1749 -2.57721 GPRESSURE: 961600 -173.708 -137.115 19.3046 -114.623 46.9596 -28.1535 57.1121 15.9233 -4.50842 PRESSAVG: 961600 18.8823 16.7217 44.4727 16.7217 -5.46344 39.901 44.4727 39.9009 -28.4568 GPRESSAVG: 961600 17.2796 15.5035 42.0285 17.5216 -3.72516 37.4385 45.6943 42.1091 -28.206 TIMING: 961600 CPU: 2785.85, 0.00291413/step Wall: 2785.85, 0.00291413/step, 3.269 hours remaining, 207.734375 MB of memory in use. ENERGY: 961600 734.0324 2087.0003 1946.6056 102.9711 -205955.4464 17633.3610 0.0000 0.0000 34134.5730 -149316.9031 298.1057 -183451.4761 -149220.9793 298.7379 -77.6741 -43.7522 558821.3301 -5.0126 -4.8839 PRESSURE: 961800 -47.8357 -124.923 90.999 -124.924 -17.964 67.4454 90.9984 67.446 158.84 GPRESSURE: 961800 -12.7368 -183.169 214.484 -116.584 55.5849 3.57979 18.0209 60.1281 150.901 PRESSAVG: 961800 -8.55397 -8.28602 -0.928009 -8.28606 -19.6411 -9.32535 -0.928052 -9.32536 32.2597 GPRESSAVG: 961800 -7.611 -7.27246 -1.70513 -9.3249 -21.5266 -6.54138 -1.46011 -10.9477 33.7169 TIMING: 961800 CPU: 2786.43, 0.00290758/step Wall: 2786.43, 0.00290758/step, 3.2615 hours remaining, 207.734375 MB of memory in use. ENERGY: 961800 736.0480 2128.4331 1944.0684 112.9025 -206534.5531 17978.5182 0.0000 0.0000 34412.4140 -149222.1691 300.5322 -183634.5830 -149137.9727 299.3331 31.0136 64.5830 558315.2632 1.3549 1.5264 PRESSURE: 962000 -69.989 -99.6074 21.0347 -99.6078 -368.33 39.1656 21.0355 39.1666 -109.072 GPRESSURE: 962000 -34.2711 -39.111 54.9727 -104.725 -336.993 108.619 -5.03738 30.4645 -92.4012 PRESSAVG: 962000 62.3686 -19.1954 -20.0517 -19.1954 -80.0874 -11.9692 -20.0517 -11.9693 38.9536 GPRESSAVG: 962000 62.0158 -20.7513 -18.6335 -19.5892 -78.6189 -11.8132 -18.8962 -13.2812 37.8477 TIMING: 962000 CPU: 2787.02, 0.00293362/step Wall: 2787.02, 0.00293362/step, 3.29054 hours remaining, 207.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 962000 756.1842 2098.6660 1941.4030 111.6225 -205840.2426 17506.5838 0.0000 0.0000 34131.9407 -149293.8423 298.0827 -183425.7830 -149198.6598 299.5656 -182.4637 -154.5550 558315.3560 7.0783 7.0815 PRESSURE: 962200 -41.3912 70.011 130.28 70.0124 -130.258 -92.3327 130.28 -92.3323 -98.9902 GPRESSURE: 962200 18.2713 22.093 160.505 157.707 -84.4502 -33.0302 38.1864 -76.279 -106.663 PRESSAVG: 962200 -5.26403 -5.11582 46.1656 -5.11585 -3.44203 7.97267 46.1657 7.97282 53.4147 GPRESSAVG: 962200 -5.26135 -3.60667 45.7592 -5.64376 -4.33392 5.78427 45.8681 10.511 53.9515 TIMING: 962200 CPU: 2787.6, 0.0029249/step Wall: 2787.6, 0.0029249/step, 3.2806 hours remaining, 207.734375 MB of memory in use. ENERGY: 962200 733.2569 2070.4843 1928.1054 117.0005 -206068.5030 17799.3889 0.0000 0.0000 34041.5750 -149378.6919 297.2935 -183420.2669 -149279.1616 298.8982 -90.2132 -57.6138 559365.5621 14.9029 14.7854 PRESSURE: 962400 -244.536 6.46157 -75.5805 6.46219 -377.811 3.54979 -75.5827 3.54872 128.808 GPRESSURE: 962400 -279.709 -43.0957 -125.345 6.94521 -283.232 31.6848 0.477544 35.647 156.886 PRESSAVG: 962400 -51.4513 75.0186 5.1419 75.0186 23.7813 -17.81 5.14186 -17.81 1.6274 GPRESSAVG: 962400 -52.0061 74.379 4.03393 76.0061 25.3736 -17.6774 5.32659 -18.7547 0.255307 TIMING: 962400 CPU: 2788.19, 0.00290874/step Wall: 2788.19, 0.00290874/step, 3.26232 hours remaining, 207.734375 MB of memory in use. ENERGY: 962400 720.9511 2082.6155 1914.0511 110.1600 -205914.5723 17514.9905 0.0000 0.0000 34027.1445 -149544.6596 297.1675 -183571.8041 -149454.8791 298.1571 -164.5127 -135.3516 558563.4006 -8.6809 -8.7924 PRESSURE: 962600 -247.657 80.5744 23.7191 80.5753 -75.7665 100.321 23.7197 100.322 -314.217 GPRESSURE: 962600 -194.626 120.501 -23.3541 28.0202 -104.405 36.993 24.7687 107.054 -252.69 PRESSAVG: 962600 -31.0883 23.5943 25.5978 23.5943 -13.239 -5.5243 25.5978 -5.52416 17.2129 GPRESSAVG: 962600 -30.3043 23.9797 25.6651 24.2372 -14.538 -3.0002 27.3439 -6.73586 18.4232 TIMING: 962600 CPU: 2788.77, 0.00293295/step Wall: 2788.77, 0.00293295/step, 3.2893 hours remaining, 207.734375 MB of memory in use. ENERGY: 962600 755.2080 2016.8854 1954.9389 126.1366 -206167.8981 17580.8326 0.0000 0.0000 34148.7770 -149585.1196 298.2298 -183733.8966 -149491.1721 298.1967 -212.5466 -183.9071 557192.5115 -9.0381 -8.8064 PRESSURE: 962800 72.9515 -37.9786 51.2508 -37.9768 -97.2691 -36.2629 51.251 -36.2628 60.7039 GPRESSURE: 962800 124.492 -88.848 98.8257 18.2462 -74.1962 -48.6817 36.706 -68.5777 77.7822 PRESSAVG: 962800 -44.8529 -17.485 77.8657 -17.485 4.0599 -3.98439 77.8657 -3.98446 35.7048 GPRESSAVG: 962800 -45.2158 -20.3746 78.2121 -16.0181 4.85579 -8.2338 77.2238 -2.52555 35.5926 TIMING: 962800 CPU: 2789.35, 0.00290315/step Wall: 2789.35, 0.00290315/step, 3.25572 hours remaining, 207.734375 MB of memory in use. ENERGY: 962800 720.7765 2097.2818 1954.5972 107.9205 -206499.9225 17897.9909 0.0000 0.0000 34133.6028 -149587.7526 298.0972 -183721.3555 -149494.7993 298.0103 12.1288 42.6925 555352.9906 -1.6961 -1.5892 PRESSURE: 963000 254.745 87.2199 190.217 87.221 211.221 195.555 190.218 195.553 -117.48 GPRESSURE: 963000 209.823 112.671 133.638 68.0781 306.57 230.923 263.272 45.6772 -83.1238 PRESSAVG: 963000 -91.2169 0.264524 56.8787 0.264633 35.5329 -34.3733 56.8786 -34.3734 7.26701 GPRESSAVG: 963000 -91.7902 4.2185 58.9302 -4.38416 35.6397 -30.0213 53.5197 -36.3064 8.10878 TIMING: 963000 CPU: 2789.94, 0.00291645/step Wall: 2789.94, 0.00291645/step, 3.27047 hours remaining, 207.734375 MB of memory in use. ENERGY: 963000 697.9814 2090.4681 1954.8101 123.9396 -206016.9674 17590.0403 0.0000 0.0000 34082.8419 -149476.8860 297.6539 -183559.7279 -149382.6771 298.3737 116.1619 144.4234 556400.3090 -16.1390 -16.0139 PRESSURE: 963200 -360.645 -38.1546 71.9487 -38.1551 54.4118 45.523 71.9483 45.5238 -169.449 GPRESSURE: 963200 -298.848 -23.3664 134.397 -13.4688 48.0036 37.0384 51.7566 43.4567 -114.705 PRESSAVG: 963200 1.17046 -29.3144 6.12682 -29.3144 43.7116 -91.98 6.12674 -91.9801 -19.4308 GPRESSAVG: 963200 3.02224 -32.5396 4.11877 -27.6237 43.2668 -93.5982 9.24536 -91.6431 -20.0613 TIMING: 963200 CPU: 2790.52, 0.00291492/step Wall: 2790.52, 0.00291492/step, 3.26859 hours remaining, 207.734375 MB of memory in use. ENERGY: 963200 738.9553 2108.2744 1964.9042 109.9845 -206082.7724 17547.4533 0.0000 0.0000 34262.4199 -149350.7809 299.2222 -183613.2008 -149254.5565 299.1266 -158.5609 -121.8496 556127.4199 8.4838 8.7426 PRESSURE: 963400 37.3386 38.4983 -59.646 38.4973 -24.7654 60.4826 -59.6463 60.4822 -59.7741 GPRESSURE: 963400 66.2494 20.9167 -95.205 26.017 41.7971 102.36 -48.7256 -26.9458 -60.8868 PRESSAVG: 963400 -16.6842 -5.19083 -18.2537 -5.19086 30.1749 -7.38369 -18.2537 -7.3836 -29.5473 GPRESSAVG: 963400 -17.8101 -4.03096 -19.2111 -5.35187 30.9121 -6.95428 -16.9644 -6.76147 -29.0638 TIMING: 963400 CPU: 2791.11, 0.00293053/step Wall: 2791.11, 0.00293053/step, 3.28594 hours remaining, 207.734375 MB of memory in use. ENERGY: 963400 698.4409 2069.7185 1962.1715 109.0140 -206230.8579 17809.5467 0.0000 0.0000 34359.4255 -149222.5407 300.0694 -183581.9662 -149127.6357 299.2169 -15.7336 15.7199 556270.3072 -5.3522 -5.3206 PRESSURE: 963600 -332.46 -115.95 -38.6169 -115.95 90.933 0.310332 -38.6163 0.310607 -146.554 GPRESSURE: 963600 -277.67 -112.045 -82.9749 -136.676 66.048 -56.681 -3.50633 100.319 -84.1289 PRESSAVG: 963600 13.5004 -3.69698 -54.0039 -3.69693 49.2092 -2.25514 -54.0039 -2.25516 -91.948 GPRESSAVG: 963600 14.3525 -2.03041 -53.1247 -3.76415 47.6255 -2.22421 -56.2446 -2.01136 -91.1485 TIMING: 963600 CPU: 2791.69, 0.00293398/step Wall: 2791.69, 0.00293397/step, 3.28964 hours remaining, 207.734375 MB of memory in use. ENERGY: 963600 780.5435 2041.3323 1975.1165 122.9130 -206045.6554 17514.0205 0.0000 0.0000 34352.3582 -149259.3714 300.0077 -183611.7296 -149171.0208 299.7218 -129.3604 -98.5837 557470.6616 -9.7461 -9.7235 PRESSURE: 963800 5.61264 2.85582 -110.69 2.85691 116.941 -69.5955 -110.69 -69.5947 -123.246 GPRESSURE: 963800 31.2869 -48.0349 -132.921 38.607 195.787 -104.906 -183.835 -23.1859 -126.018 PRESSAVG: 963800 23.9504 -31.5298 -38.7887 -31.5298 69.3239 -63.1787 -38.7888 -63.1788 -91.5727 GPRESSAVG: 963800 23.8093 -33.4801 -38.2984 -29.4896 70.7644 -64.5314 -39.0592 -61.1275 -93.0669 TIMING: 963800 CPU: 2792.28, 0.00291543/step Wall: 2792.28, 0.00291544/step, 3.26869 hours remaining, 207.734375 MB of memory in use. ENERGY: 963800 752.7512 2074.3403 1932.6048 113.6027 -206284.9019 17895.7773 0.0000 0.0000 34315.4940 -149200.3316 299.6857 -183515.8256 -149106.4196 299.9794 -0.2307 33.6854 557043.0901 0.5672 0.5023 PRESSURE: 964000 -188.367 -45.036 64.4188 -45.0358 1.13696 -88.6642 64.4185 -88.6659 -122.853 GPRESSURE: 964000 -130.07 -30.8953 110.229 -35.7732 -26.6963 -106.435 67.3738 -20.6379 -59.9571 PRESSAVG: 964000 -18.2798 -4.90005 -46.5137 -4.89997 63.6607 -21.7629 -46.5136 -21.7629 -33.0736 GPRESSAVG: 964000 -17.7453 -4.38975 -46.9699 -6.11506 63.2213 -21.9536 -46.544 -22.9058 -33.5441 TIMING: 964000 CPU: 2792.86, 0.00292954/step Wall: 2792.86, 0.00292954/step, 3.28434 hours remaining, 207.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 964000 777.1034 2121.3674 1965.7516 131.5366 -206018.0241 17774.0238 0.0000 0.0000 34095.1652 -149153.0761 297.7616 -183248.2413 -149049.6092 299.8699 -103.3609 -72.2410 558804.1731 4.1024 3.9773 PRESSURE: 964200 292.991 228.74 88.0759 228.741 -54.97 -20.6527 88.0757 -20.6518 64.4516 GPRESSURE: 964200 298.233 138.51 114.14 289.623 -7.15657 -73.274 148.77 16.964 111.934 PRESSAVG: 964200 17.4618 -26.8269 39.5433 -26.827 12.9758 17.1795 39.5434 17.1795 -23.8781 GPRESSAVG: 964200 16.9588 -25.4765 37.3656 -26.6868 12.3679 16.5467 41.4043 16.2693 -23.5486 TIMING: 964200 CPU: 2793.44, 0.00290973/step Wall: 2793.44, 0.00290973/step, 3.26197 hours remaining, 207.734375 MB of memory in use. ENERGY: 964200 740.4927 2088.3634 1944.9620 120.3049 -206463.2309 18056.1632 0.0000 0.0000 34222.6854 -149290.2593 298.8752 -183512.9447 -149192.7638 299.3440 100.8241 134.3365 558285.3803 2.1865 1.9261 LDB: ============= START OF LOAD BALANCING ============== 2796.83 LDB: ============== END OF LOAD BALANCING =============== 2796.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2796.83 LDB: ============= START OF LOAD BALANCING ============== 2797.12 LDB: Largest compute 4820 load 0.026689 is 22.6% of average load 0.117982 LDB: Average compute 0.001706 is 1.4% of average load 0.117982 LDB: TIME 2797.13 LOAD: AVG 0.117982 MAX 0.187149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.762 MB LDB: TIME 2797.13 LOAD: AVG 0.117982 MAX 0.187149 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: TIME 2797.13 LOAD: AVG 0.117982 MAX 0.187149 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: ============== END OF LOAD BALANCING =============== 2797.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2797.13 PRESSURE: 964400 -165.707 -176.799 -157.959 -176.799 -285.593 280.213 -157.958 280.211 -220.701 GPRESSURE: 964400 -162.928 -191.198 -205.595 -121.818 -226.162 201.581 -80.6279 253.641 -197.991 PRESSAVG: 964400 11.185 -13.8944 20.6877 -13.8944 37.5149 42.8283 20.6876 42.8282 -43.231 GPRESSAVG: 964400 11.2133 -14.9348 21.1632 -13.1704 37.4847 44.2792 18.831 45.3809 -43.5582 TIMING: 964400 CPU: 2794.04, 0.00296772/step Wall: 2794.04, 0.00296772/step, 3.32682 hours remaining, 208.234375 MB of memory in use. ENERGY: 964400 775.9773 2057.9774 1958.9015 117.0540 -205853.1034 17489.0708 0.0000 0.0000 34066.5806 -149387.5418 297.5119 -183454.1224 -149291.0293 299.2250 -224.0005 -195.6938 557946.3113 1.8230 1.7133 PRESSURE: 964600 78.5015 6.79698 72.5204 6.79604 -92.236 84.9966 72.5217 84.9972 -29.3773 GPRESSURE: 964600 80.7025 14.375 -4.73644 18.9983 -57.0296 23.3411 55.2819 216.163 38.7304 PRESSAVG: 964600 19.9096 -44.9302 19.4172 -44.9301 -7.23467 28.0192 19.4172 28.0192 14.2636 GPRESSAVG: 964600 19.3226 -45.4725 20.9645 -45.3894 -7.26433 31.1165 21.1848 24.9004 14.5188 TIMING: 964600 CPU: 2794.62, 0.00291988/step Wall: 2794.62, 0.00291988/step, 3.27302 hours remaining, 208.437500 MB of memory in use. ENERGY: 964600 763.1580 2061.4337 1968.7200 128.9929 -205955.9852 17699.8069 0.0000 0.0000 34109.0588 -149224.8151 297.8829 -183333.8738 -149130.6104 299.4935 -14.3706 20.8011 557564.4921 8.9795 8.8590 PRESSURE: 964800 -250.491 34.4799 -21.1241 34.4803 -195.887 1.78747 -21.1241 1.78785 -3.85403 GPRESSURE: 964800 -250.652 62.6247 -28.4793 -18.4063 -150.341 37.3757 -28.8919 6.99766 52.3702 PRESSAVG: 964800 19.5196 34.2217 11.6359 34.2217 29.1418 7.78614 11.636 7.78624 -21.7708 GPRESSAVG: 964800 19.7549 32.2023 11.0438 35.2826 30.5698 5.55792 12.2747 10.2772 -23.0557 TIMING: 964800 CPU: 2795.2, 0.00291647/step Wall: 2795.2, 0.00291647/step, 3.26903 hours remaining, 208.437500 MB of memory in use. ENERGY: 964800 774.4263 2094.4386 1951.0290 129.3949 -206077.2451 17602.4346 0.0000 0.0000 34224.3270 -149301.1947 298.8896 -183525.5217 -149202.2419 298.8722 -150.0776 -116.2078 557134.8846 8.9635 9.0897 PRESSURE: 965000 -178.631 -108.927 -84.3357 -108.928 144.677 -83.3695 -84.3355 -83.3695 23.647 GPRESSURE: 965000 -127.207 -100.059 -73.3275 -79.8006 190.448 -68.3579 -43.7925 -5.16082 32.0398 PRESSAVG: 965000 -67.2006 7.25087 -51.2255 7.25096 43.0794 -24.7168 -51.2255 -24.7168 39.9218 GPRESSAVG: 965000 -67.0407 7.09102 -49.3735 7.53368 42.389 -25.1544 -53.5683 -25.5785 40.4715 TIMING: 965000 CPU: 2795.79, 0.00291701/step Wall: 2795.79, 0.00291701/step, 3.26948 hours remaining, 208.437500 MB of memory in use. ENERGY: 965000 751.9349 2068.7131 1943.5703 113.2780 -205994.0341 17720.4422 0.0000 0.0000 34154.3250 -149241.7706 298.2782 -183396.0956 -149152.3560 299.6241 -3.4359 31.7602 556042.4056 5.2668 5.2733 PRESSURE: 965200 -314.553 -92.0671 -47.2333 -92.0661 -269.692 -31.5416 -47.233 -31.5414 89.1708 GPRESSURE: 965200 -222.812 -145.234 -72.0385 -112.704 -262.89 -25.8585 -46.6091 2.88603 101.333 PRESSAVG: 965200 37.9741 26.4149 -13.8736 26.415 -57.7722 -56.4449 -13.8735 -56.4448 50.9459 GPRESSAVG: 965200 39.4152 26.6847 -14.4463 26.4647 -59.7523 -58.0132 -13.3901 -56.7034 52.0721 TIMING: 965200 CPU: 2796.37, 0.00290761/step Wall: 2796.37, 0.00290761/step, 3.25878 hours remaining, 208.437500 MB of memory in use. ENERGY: 965200 725.8603 2070.6010 1932.4275 129.4905 -205983.3075 17515.1619 0.0000 0.0000 34326.7375 -149283.0287 299.7839 -183609.7662 -149181.3645 299.7953 -165.0248 -128.1230 557648.3408 10.3826 10.5783 PRESSURE: 965400 182.472 -36.3195 80.3895 -36.3187 124.961 -80.1787 80.3897 -80.1769 9.65527 GPRESSURE: 965400 224.117 -96.8649 73.9083 36.7508 148.272 -69.5715 38.7557 -87.9605 45.381 PRESSAVG: 965400 76.7881 -14.5008 -40.8946 -14.5008 -10.9754 -20.5199 -40.8946 -20.5199 -51.8956 GPRESSAVG: 965400 76.1292 -12.9147 -41.6836 -15.4435 -10.0005 -19.2059 -39.5483 -22.6279 -52.7049 TIMING: 965400 CPU: 2796.95, 0.00292029/step Wall: 2796.95, 0.00292029/step, 3.27283 hours remaining, 208.437500 MB of memory in use. ENERGY: 965400 717.2794 2091.1138 1932.0576 120.1419 -206422.5792 17967.7691 0.0000 0.0000 34312.7095 -149281.5080 299.6614 -183594.2175 -149183.2770 299.5781 105.6959 139.2567 558683.0162 4.6390 4.4746 PRESSURE: 965600 251.443 83.4782 37.988 83.4797 375.821 -168.75 37.9874 -168.749 355.125 GPRESSURE: 965600 296.48 72.8744 61.9446 152.396 386.193 -152.65 -79.688 -151.163 389.455 PRESSAVG: 965600 71.8946 -37.7436 -1.46933 -37.7437 -40.4978 -1.90781 -1.46926 -1.90774 -63.302 GPRESSAVG: 965600 71.7275 -37.0642 -2.41339 -37.3484 -41.7393 -0.730762 -1.87921 -1.8806 -62.3572 TIMING: 965600 CPU: 2797.54, 0.00294407/step Wall: 2797.54, 0.00294407/step, 3.29932 hours remaining, 208.437500 MB of memory in use. ENERGY: 965600 752.9923 2100.9547 1939.2939 107.4190 -206824.6812 18377.8820 0.0000 0.0000 34364.3672 -149181.7721 300.1126 -183546.1393 -149089.2422 299.5878 327.4634 357.3757 557416.3270 -10.6351 -10.7896 PRESSURE: 965800 -167.925 196.353 -70.5524 196.354 -233.634 13.7819 -70.5514 13.7831 -112.585 GPRESSURE: 965800 -202.297 158.446 -59.9249 185.369 -200.433 65.3519 -87.397 -40.2342 -8.14252 PRESSAVG: 965800 -8.66447 0.216584 -6.77302 0.21664 -15.537 -47.6992 -6.77306 -47.6993 13.9972 GPRESSAVG: 965800 -8.40793 0.853292 -6.8744 -0.76048 -14.9459 -48.6749 -7.06909 -46.3415 14.066 TIMING: 965800 CPU: 2798.13, 0.00293394/step Wall: 2798.13, 0.00293394/step, 3.28781 hours remaining, 208.449219 MB of memory in use. ENERGY: 965800 758.2873 2127.2110 1928.0274 101.4434 -205985.3886 17642.7496 0.0000 0.0000 34177.8728 -149249.7970 298.4839 -183427.6698 -149157.7186 299.3369 -171.3814 -136.9574 559786.2665 -3.4014 -3.0959 PRESSURE: 966000 71.1432 -27.6982 -13.0803 -27.6964 171.143 -80.8663 -13.0807 -80.8658 -120.706 GPRESSURE: 966000 81.0203 22.1198 -90.9398 -55.4271 235.019 -96.3069 60.304 -24.0276 -99.3115 PRESSAVG: 966000 2.98516 -10.0379 1.91708 -10.0379 15.9283 -35.6424 1.91712 -35.6424 6.52626 GPRESSAVG: 966000 2.75512 -12.2864 3.13425 -8.19843 16.6255 -36.9365 1.71063 -36.2901 6.68647 TIMING: 966000 CPU: 2798.72, 0.00293849/step Wall: 2798.72, 0.00293849/step, 3.29274 hours remaining, 208.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 966000 742.2523 2031.6624 1931.4882 102.1036 -206291.7234 17993.3473 0.0000 0.0000 34182.7007 -149308.1688 298.5260 -183490.8696 -149212.2211 299.4250 40.5267 72.2427 558439.0085 8.4799 8.6890 PRESSURE: 966200 -264.541 -118.099 -91.2398 -118.098 -113.099 62.611 -91.239 62.6098 -274.924 GPRESSURE: 966200 -204.844 -90.6084 -111.255 -146.829 -111.6 70.9935 -31.6384 134.732 -235.477 PRESSAVG: 966200 71.3977 -22.0269 31.5842 -22.027 -24.488 16.3445 31.5842 16.3444 15.3788 GPRESSAVG: 966200 71.2072 -20.5777 31.5824 -23.2646 -24.4617 16.5517 33.4603 18.1403 16.0879 TIMING: 966200 CPU: 2799.31, 0.00296217/step Wall: 2799.31, 0.00296217/step, 3.31911 hours remaining, 208.449219 MB of memory in use. ENERGY: 966200 767.0939 2078.5582 1916.0835 112.3020 -205931.2178 17734.0793 0.0000 0.0000 34049.3601 -149273.7408 297.3615 -183323.1010 -149187.2552 299.2680 -217.5216 -183.9740 559322.8716 20.7628 20.9445 PRESSURE: 966400 207.042 -38.954 -48.2709 -38.9546 30.2613 54.2241 -48.27 54.2226 -94.1704 GPRESSURE: 966400 283.27 -11.8747 2.38212 -44.0931 13.2347 140.536 -83.5961 3.35958 -42.479 PRESSAVG: 966400 -12.6937 -27.1906 -23.983 -27.1905 11.1895 5.40579 -23.9829 5.40576 42.8795 GPRESSAVG: 966400 -12.3549 -24.7984 -24.2028 -28.3158 10.8222 6.82001 -27.0921 3.11692 42.6891 TIMING: 966400 CPU: 2799.9, 0.00294193/step Wall: 2799.9, 0.00294193/step, 3.29627 hours remaining, 208.449219 MB of memory in use. ENERGY: 966400 727.1038 2057.1019 1937.8652 105.2990 -205867.1670 17831.0767 0.0000 0.0000 34118.0302 -149090.6902 297.9612 -183208.7204 -148992.6292 298.9360 47.7111 84.6753 556873.4406 13.7918 13.7188 PRESSURE: 966600 -123.043 -104.453 -108.441 -104.452 -17.6539 172.346 -108.44 172.347 321.362 GPRESSURE: 966600 -135.571 -97.4015 -144.604 -177.859 -1.38674 251.633 -15.4005 191.776 428.612 PRESSAVG: 966600 10.2309 -46.3683 28.3076 -46.3684 -28.091 35.418 28.3075 35.4178 -15.8312 GPRESSAVG: 966600 10.394 -48.1369 27.7196 -44.8871 -28.2198 33.8039 27.7579 35.7438 -15.7405 TIMING: 966600 CPU: 2800.49, 0.00294461/step Wall: 2800.49, 0.00294461/step, 3.29911 hours remaining, 208.449219 MB of memory in use. ENERGY: 966600 775.7709 2103.2685 1941.0304 130.1079 -206153.9036 17885.6647 0.0000 0.0000 34009.2582 -149308.8029 297.0113 -183318.0612 -149211.2313 298.8682 60.2217 97.2180 556578.9821 -11.2304 -11.1888 PRESSURE: 966800 -272.784 -96.3361 -161.681 -96.3373 -224.667 -2.40025 -161.681 -2.39897 56.1758 GPRESSURE: 966800 -323.818 -33.756 -117.696 -78.0698 -171.332 -4.4813 -135.085 -49.7443 154.29 PRESSAVG: 966800 -45.2076 -25.0386 7.54423 -25.0387 -18.2523 -24.2263 7.54429 -24.2262 77.2415 GPRESSAVG: 966800 -44.8288 -24.7386 7.28732 -26.8811 -17.9925 -20.9819 6.31863 -26.3399 76.8464 TIMING: 966800 CPU: 2801.07, 0.00292569/step Wall: 2801.07, 0.00292569/step, 3.27775 hours remaining, 208.449219 MB of memory in use. ENERGY: 966800 756.8840 2069.8034 1919.4797 117.0692 -205951.2756 17556.7726 0.0000 0.0000 34224.4376 -149306.8291 298.8905 -183531.2668 -149200.7753 298.8167 -147.0917 -113.6198 558328.7226 4.5939 4.6750 PRESSURE: 967000 -46.463 -41.5433 -91.2223 -41.5444 4.88568 -3.38496 -91.222 -3.38478 124.028 GPRESSURE: 967000 -87.7769 -21.7927 -115.257 -50.7163 65.1709 -9.75874 -105.706 -33.2845 189.457 PRESSAVG: 967000 -83.4513 -47.8719 -34.7291 -47.8719 9.70828 71.9827 -34.7291 71.9828 49.6749 GPRESSAVG: 967000 -83.493 -48.7506 -34.6034 -45.9939 10.2224 72.0889 -33.793 70.7545 49.2306 TIMING: 967000 CPU: 2801.65, 0.00291292/step Wall: 2801.65, 0.00291292/step, 3.26328 hours remaining, 208.449219 MB of memory in use. ENERGY: 967000 746.2083 2093.6476 1944.8686 108.5944 -206746.2927 18048.1179 0.0000 0.0000 34363.8711 -149440.9849 300.1082 -183804.8559 -149341.9366 299.1207 27.4836 55.6171 559319.0396 -8.0227 -8.0133 PRESSURE: 967200 303.468 -71.3747 49.6298 -71.3759 -95.8855 110.955 49.6304 110.955 -105.093 GPRESSURE: 967200 319.69 -46.917 103.706 -32.1201 -69.4373 65.3167 6.28821 195.366 -58.4274 PRESSAVG: 967200 -30.1691 -28.0338 17.109 -28.0338 30.791 14.8418 17.109 14.8418 7.10201 GPRESSAVG: 967200 -30.2511 -27.3839 18.3377 -27.6136 30.4551 13.7618 17.5687 16.3852 7.00943 TIMING: 967200 CPU: 2802.23, 0.00288516/step Wall: 2802.23, 0.00288516/step, 3.23202 hours remaining, 208.449219 MB of memory in use. ENERGY: 967200 808.8759 2103.0271 1928.6874 103.4556 -206640.0875 18255.9770 0.0000 0.0000 34080.2931 -149359.7714 297.6317 -183440.0645 -149259.4724 298.6117 34.1631 63.9418 557511.5633 2.5746 2.4045 PRESSURE: 967400 -125.543 311.593 -18.2442 311.592 52.4215 -29.4207 -18.2437 -29.4213 -23.6388 GPRESSURE: 967400 -99.2867 261.931 16.3679 303.992 98.0323 -15.6982 -17.497 -8.17252 -8.6167 PRESSAVG: 967400 -26.1065 12.6076 27.1292 12.6076 6.49917 17.4475 27.1293 17.4474 -19.8796 GPRESSAVG: 967400 -27.1931 11.9497 26.623 12.8849 6.95752 16.1002 26.1843 19.3167 -19.311 TIMING: 967400 CPU: 2802.81, 0.00289195/step Wall: 2802.81, 0.00289195/step, 3.23946 hours remaining, 208.449219 MB of memory in use. ENERGY: 967400 776.0255 2089.2497 1952.7964 115.2259 -206376.1885 17924.9635 0.0000 0.0000 34220.1954 -149297.7321 298.8535 -183517.9275 -149198.3161 298.5689 -32.2534 -3.2904 558929.5097 -13.1623 -13.1822 PRESSURE: 967600 -140.772 -29.5067 -23.6178 -29.5054 -359.669 -62.6774 -23.6194 -62.6772 -276.352 GPRESSURE: 967600 -169.58 -57.2466 -35.7406 52.0578 -272.891 -8.50856 55.993 -12.0992 -230.35 PRESSAVG: 967600 -37.8549 40.7486 14.387 40.7485 36.5588 21.1311 14.387 21.1311 1.03935 GPRESSAVG: 967600 -37.2091 40.5417 13.4741 40.211 37.4675 19.8721 14.7673 23.1953 -0.46002 TIMING: 967600 CPU: 2803.39, 0.00289039/step Wall: 2803.39, 0.00289039/step, 3.23756 hours remaining, 208.449219 MB of memory in use. ENERGY: 967600 750.0074 2076.3730 1945.1077 98.6420 -205946.4007 17606.2071 0.0000 0.0000 34167.1191 -149302.9446 298.3899 -183470.0636 -149199.0368 298.5850 -258.9310 -224.2735 559768.8668 -0.0856 -0.0672 PRESSURE: 967800 -110.441 -43.5316 -92.6477 -43.5325 70.6416 60.4375 -92.6475 60.4374 44.5696 GPRESSURE: 967800 -111.717 -45.3358 -114.403 -5.56773 142.322 111.783 -59.2473 -14.2442 73.7487 PRESSAVG: 967800 -38.0072 14.5216 37.4252 14.5217 42.8597 5.06107 37.4253 5.061 37.1445 GPRESSAVG: 967800 -38.7924 13.8617 36.9695 16.6591 43.2567 5.57923 38.5603 2.82675 37.1096 TIMING: 967800 CPU: 2803.97, 0.00290833/step Wall: 2803.97, 0.00290833/step, 3.25749 hours remaining, 208.449219 MB of memory in use. ENERGY: 967800 727.7794 2100.6729 1954.7893 122.3451 -205995.3115 17884.6337 0.0000 0.0000 33933.2903 -149271.8009 296.3479 -183205.0912 -149178.1068 298.3209 1.5899 34.7846 559647.3121 13.9990 13.8580 PRESSURE: 968000 60.786 -52.4129 162.357 -52.4121 188.601 -29.1329 162.357 -29.1341 -69.2106 GPRESSURE: 968000 51.3109 -14.9918 179.099 -117.763 227.285 -18.3408 108.018 -93.0627 -4.36276 PRESSAVG: 968000 -58.9074 -20.132 28.9152 -20.1319 -5.53237 -2.28665 28.9152 -2.28672 105.61 GPRESSAVG: 968000 -59.0722 -19.2409 30.0354 -22.6029 -7.06931 -0.0140605 26.8968 -2.93974 107.294 TIMING: 968000 CPU: 2804.55, 0.00291939/step Wall: 2804.55, 0.00291939/step, 3.26972 hours remaining, 208.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 968000 729.0949 2086.7684 1935.6325 121.6388 -205934.0558 17641.2208 0.0000 0.0000 34062.5665 -149357.1338 297.4769 -183419.7003 -149264.9401 298.0161 60.0588 91.4109 557532.0321 13.7235 13.7175 PRESSURE: 968200 -114.818 99.2996 -23.0202 99.299 20.5042 165.155 -23.0205 165.155 4.78137 GPRESSURE: 968200 -35.595 49.4842 -32.2467 123.718 46.8279 207.926 -4.26426 108.025 0.396279 PRESSAVG: 968200 -47.3964 -16.228 38.1672 -16.2281 44.5252 36.6392 38.1672 36.6393 24.9741 GPRESSAVG: 968200 -45.9417 -16.0167 37.4848 -16.0864 43.2466 34.5705 39.8612 36.5454 24.7846 TIMING: 968200 CPU: 2805.13, 0.00289295/step Wall: 2805.13, 0.00289295/step, 3.23995 hours remaining, 208.449219 MB of memory in use. ENERGY: 968200 774.6943 2108.2384 1949.6408 113.3447 -206184.2216 17647.3793 0.0000 0.0000 34280.6877 -149310.2366 299.3818 -183590.9242 -149212.2934 299.3759 -29.8441 3.8764 555132.9445 7.3677 7.3632 LDB: ============= START OF LOAD BALANCING ============== 2808.51 LDB: ============== END OF LOAD BALANCING =============== 2808.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2808.52 LDB: ============= START OF LOAD BALANCING ============== 2808.8 LDB: Largest compute 4822 load 0.027681 is 23.5% of average load 0.117926 LDB: Average compute 0.001722 is 1.5% of average load 0.117926 LDB: TIME 2808.8 LOAD: AVG 0.117926 MAX 0.184821 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.145 MB LDB: TIME 2808.8 LOAD: AVG 0.117926 MAX 0.184821 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.145 MB LDB: TIME 2808.81 LOAD: AVG 0.117926 MAX 0.184821 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2808.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2808.81 PRESSURE: 968400 -153.547 -21.3776 80.8952 -21.3775 -301.297 -26.3507 80.8958 -26.3506 -343.617 GPRESSURE: 968400 -116.96 -45.7144 57.2932 0.709256 -260.395 -13.17 96.7294 22.4936 -329.453 PRESSAVG: 968400 -50.4465 -7.18785 21.2317 -7.18774 33.9461 49.185 21.2317 49.1851 7.20002 GPRESSAVG: 968400 -51.5069 -9.28136 21.0076 -7.61438 35.229 50.0508 21.3465 49.6832 6.66744 TIMING: 968400 CPU: 2805.72, 0.00291821/step Wall: 2805.72, 0.00291821/step, 3.26807 hours remaining, 208.300781 MB of memory in use. ENERGY: 968400 737.9883 2122.2757 1956.6476 110.9045 -205548.6782 17191.7597 0.0000 0.0000 34210.0535 -149219.0488 298.7649 -183429.1023 -149124.7886 299.7085 -266.1535 -235.6026 558106.1635 -3.1001 -3.2035 PRESSURE: 968600 -93.5594 111.706 -150.495 111.707 -202.961 81.9431 -150.493 81.9429 -220.128 GPRESSURE: 968600 -70.0246 -31.2451 -151.372 233.057 -171.367 8.8108 -175.451 134.153 -180.108 PRESSAVG: 968600 -20.7676 -10.0933 26.9938 -10.0935 1.24844 47.7968 26.9938 47.7967 2.21156 GPRESSAVG: 968600 -19.9931 -8.52444 27.9311 -10.5094 0.8361 47.9058 26.5914 45.5596 1.77753 TIMING: 968600 CPU: 2806.29, 0.00287878/step Wall: 2806.29, 0.00287878/step, 3.22375 hours remaining, 208.500000 MB of memory in use. ENERGY: 968600 771.3676 2047.1324 1943.1821 136.5319 -206047.1001 17602.3210 0.0000 0.0000 34202.3293 -149344.2358 298.6974 -183546.5651 -149251.8581 299.1670 -172.2161 -140.5001 556180.6835 -5.7692 -5.7931 PRESSURE: 968800 238.066 -21.5011 -30.9451 -21.5005 -26.088 124.391 -30.9443 124.392 192.94 GPRESSURE: 968800 257.062 43.3172 -43.2685 65.4191 -20.5622 101.027 16.9016 59.4581 262.674 PRESSAVG: 968800 17.8453 8.87882 18.0156 8.87892 -68.1465 26.0028 18.0156 26.0028 38.8555 GPRESSAVG: 968800 16.5997 9.90376 18.1652 10.8972 -67.329 26.5073 18.7557 27.6131 39.1911 TIMING: 968800 CPU: 2806.87, 0.00289346/step Wall: 2806.87, 0.00289346/step, 3.24003 hours remaining, 208.500000 MB of memory in use. ENERGY: 968800 786.1202 2133.2174 1931.5777 115.0565 -206828.6212 18171.5323 0.0000 0.0000 34309.1344 -149381.9827 299.6302 -183691.1171 -149282.8017 299.1832 134.9728 166.3915 556002.4706 -3.8152 -3.8461 PRESSURE: 969000 -172.154 43.2183 -59.0279 43.2171 -28.4315 -102.167 -59.0289 -102.167 63.052 GPRESSURE: 969000 -180.476 -41.4102 -53.3025 85.4859 35.0911 -140.698 -67.0331 -34.6352 96.3967 PRESSAVG: 969000 -44.035 4.31409 0.361042 4.31409 -6.29011 -10.6074 0.361024 -10.6074 -1.60249 GPRESSAVG: 969000 -44.4511 2.81913 -0.705215 2.93535 -5.98881 -12.6799 -0.182761 -8.21693 -1.92252 TIMING: 969000 CPU: 2807.45, 0.00288906/step Wall: 2807.45, 0.00288906/step, 3.23494 hours remaining, 208.500000 MB of memory in use. ENERGY: 969000 753.3518 2110.5182 1939.6499 97.4794 -206330.6041 17872.9669 0.0000 0.0000 34311.2407 -149245.3971 299.6486 -183556.6378 -149144.1760 299.6175 -45.8444 -16.3295 556967.0532 -17.3092 -17.4541 PRESSURE: 969200 39.147 29.8981 69.5031 29.8984 -155.732 -23.1855 69.5032 -23.1874 -14.9354 GPRESSURE: 969200 58.4684 58.3688 104.192 54.4516 -70.1319 -75.8112 66.852 -28.6057 -15.2157 PRESSAVG: 969200 19.9146 1.85141 -10.0563 1.85151 -39.9523 24.5602 -10.0563 24.5603 48.1886 GPRESSAVG: 969200 20.5313 2.02876 -9.61824 1.85842 -39.6028 24.3848 -10.5716 23.6234 47.3884 TIMING: 969200 CPU: 2808.02, 0.00287602/step Wall: 2808.02, 0.00287602/step, 3.22019 hours remaining, 208.500000 MB of memory in use. ENERGY: 969200 772.0300 2066.8106 1947.9928 119.8909 -206433.6646 17930.1751 0.0000 0.0000 34507.2155 -149089.5498 301.3601 -183596.7653 -148990.7347 300.1886 -43.8402 -8.9597 556156.5524 9.3836 9.4389 PRESSURE: 969400 132.379 175.671 -173.928 175.67 -70.2897 -133.383 -173.929 -133.384 57.4714 GPRESSURE: 969400 203.004 138.38 -187.26 209.024 -89.5106 -6.92579 -131.54 -159.565 107.522 PRESSAVG: 969400 77.0554 10.3551 10.4466 10.3552 -81.2488 2.94709 10.4465 2.94714 -21.6147 GPRESSAVG: 969400 77.3156 9.18966 10.7559 10.7963 -82.1807 5.13893 10.3047 0.683954 -20.3323 TIMING: 969400 CPU: 2808.6, 0.00287492/step Wall: 2808.6, 0.00287492/step, 3.21879 hours remaining, 208.500000 MB of memory in use. ENERGY: 969400 728.3149 2117.2897 1953.1006 112.8737 -206159.8702 17819.3683 0.0000 0.0000 34418.8317 -149010.0913 300.5882 -183428.9230 -148915.5472 300.2761 39.8537 73.6719 555769.4813 -8.6027 -8.3991 PRESSURE: 969600 -267.53 -79.5627 -129.621 -79.5627 255.684 -56.6224 -129.622 -56.6235 -208.139 GPRESSURE: 969600 -224.184 31.546 -172.857 -79.1759 285.253 -76.535 -101.843 -47.9925 -183.466 PRESSAVG: 969600 -34.6181 -22.8265 -11.7405 -22.8265 71.7041 12.0394 -11.7404 12.0395 -22.8952 GPRESSAVG: 969600 -33.7804 -21.4944 -12.58 -23.2441 71.7634 9.92474 -12.4072 13.6274 -23.7895 TIMING: 969600 CPU: 2809.17, 0.00288189/step Wall: 2809.17, 0.00288189/step, 3.22643 hours remaining, 208.500000 MB of memory in use. ENERGY: 969600 766.0976 2137.0215 1936.4676 124.9633 -205639.3957 17540.0521 0.0000 0.0000 34421.8407 -148712.9529 300.6145 -183134.7936 -148612.8144 300.4525 -73.3283 -40.7991 557518.4090 4.7303 4.7312 PRESSURE: 969800 -235.36 30.5932 159.304 30.5935 -213.519 116.767 159.304 116.769 -167.285 GPRESSURE: 969800 -210.548 59.6781 155.22 -15.597 -181.255 93.9771 226.885 76.7914 -122.026 PRESSAVG: 969800 19.1417 -2.7305 -23.7593 -2.7305 51.4437 -30.3331 -23.7594 -30.3331 -54.801 GPRESSAVG: 969800 18.1796 -3.54218 -22.6549 -4.79236 52.8481 -28.3467 -24.0707 -30.3852 -55.4837 TIMING: 969800 CPU: 2809.75, 0.00289514/step Wall: 2809.75, 0.00289514/step, 3.24111 hours remaining, 208.500000 MB of memory in use. ENERGY: 969800 789.3162 2144.9849 1938.7728 119.2789 -205802.4746 17443.7854 0.0000 0.0000 34549.8724 -148816.4641 301.7326 -183366.3365 -148723.6913 300.7952 -205.3877 -171.2764 557609.0415 5.2615 5.1813 PRESSURE: 970000 127.227 -26.6212 -150.657 -26.6218 186.378 -126.359 -150.657 -126.36 -137.509 GPRESSURE: 970000 180.456 -11.3713 -148.916 -29.2119 203.327 -98.5227 -198.202 -126.417 -111.1 PRESSAVG: 970000 33.6475 21.8233 -7.37043 21.8234 43.5698 -2.68905 -7.3704 -2.68905 -36.7601 GPRESSAVG: 970000 33.8777 21.7397 -8.16554 24.8464 42.1401 -4.01658 -6.99504 -3.06737 -35.5882 TIMING: 970000 CPU: 2810.33, 0.00289722/step Wall: 2810.33, 0.00289722/step, 3.24328 hours remaining, 208.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 970000 759.4049 2172.5916 1913.1264 121.4690 -206033.3592 17793.4490 0.0000 0.0000 34243.9510 -149029.3673 299.0609 -183273.3183 -148943.1448 300.3663 58.6987 90.8941 556660.0800 13.4857 13.4765 PRESSURE: 970200 247.796 -78.3694 101.536 -78.3695 13.852 -85.6453 101.535 -85.6459 232.939 GPRESSURE: 970200 261.98 20.5675 -0.798075 -98.2366 64.8581 -45.5378 142.624 -83.4483 255.817 PRESSAVG: 970200 46.3493 10.1017 -46.798 10.1016 -0.296598 31.2968 -46.798 31.2968 -64.2859 GPRESSAVG: 970200 45.1845 10.2652 -47.5589 11.1423 0.951092 33.1005 -46.1779 31.377 -64.536 TIMING: 970200 CPU: 2810.91, 0.00288864/step Wall: 2810.91, 0.00288864/step, 3.23351 hours remaining, 208.500000 MB of memory in use. ENERGY: 970200 752.6284 2088.7036 1952.0461 129.0362 -206441.1187 18191.8013 0.0000 0.0000 34366.0618 -148960.8413 300.1274 -183326.9032 -148862.7844 299.6263 164.8621 194.2184 556904.4154 -6.0777 -6.1335 PRESSURE: 970400 58.5759 126.514 129.946 126.514 -111.843 -65.1436 129.945 -65.1428 -304.751 GPRESSURE: 970400 42.1529 48.4885 107.817 140.356 -76.6131 -58.8179 129.656 38.5146 -213.894 PRESSAVG: 970400 -17.3616 23.7822 -1.14122 23.7821 15.1944 41.4989 -1.14111 41.499 -15.9774 GPRESSAVG: 970400 -16.4013 24.0542 -0.198587 21.7276 14.8657 41.6916 0.770711 41.5641 -16.0489 TIMING: 970400 CPU: 2811.49, 0.00290147/step Wall: 2811.49, 0.00290147/step, 3.24771 hours remaining, 208.500000 MB of memory in use. ENERGY: 970400 762.8950 2045.3311 1944.2950 98.7849 -205602.7318 17499.6075 0.0000 0.0000 34069.5838 -149182.2344 297.5381 -183251.8182 -149087.5919 299.7753 -119.3396 -82.7847 556850.4825 -6.0482 -5.8615 PRESSURE: 970600 -158.331 -26.7014 -15.9181 -26.7013 -298.353 -61.6834 -15.917 -61.6839 -160.496 GPRESSURE: 970600 -132.345 43.5503 38.7723 -2.95601 -227.547 -25.0824 -75.2769 -46.4114 -154.622 PRESSAVG: 970600 33.1617 18.0977 49.8304 18.0977 -13.3339 6.05116 49.8304 6.05118 38.7597 GPRESSAVG: 970600 32.3036 17.2517 51.3642 19.3333 -12.9713 4.70586 48.3116 5.54198 39.478 TIMING: 970600 CPU: 2812.07, 0.00290643/step Wall: 2812.07, 0.00290643/step, 3.25311 hours remaining, 208.500000 MB of memory in use. ENERGY: 970600 745.4094 2126.8049 1950.3421 114.9083 -205972.5494 17536.2136 0.0000 0.0000 34305.9496 -149192.9215 299.6024 -183498.8711 -149093.4395 298.2455 -205.7264 -171.5048 558144.6929 19.5292 19.6034 PRESSURE: 970800 -303.227 -114.459 49.4576 -114.459 -273.752 -155.634 49.4582 -155.636 -442.996 GPRESSURE: 970800 -283.222 -197.521 59.8851 15.4503 -238.269 -151.383 140.874 -117.937 -413.254 PRESSAVG: 970800 -34.7779 37.2235 -29.7479 37.2236 45.1692 -38.4071 -29.7479 -38.4073 -77.5554 GPRESSAVG: 970800 -33.0569 35.9847 -29.9315 38.7666 44.5563 -37.8509 -29.8171 -39.9898 -78.3402 TIMING: 970800 CPU: 2812.65, 0.00288652/step Wall: 2812.65, 0.00288652/step, 3.23066 hours remaining, 208.500000 MB of memory in use. ENERGY: 970800 752.6601 2070.0057 1952.4736 109.9603 -205516.5899 17231.0887 0.0000 0.0000 34133.9486 -149266.4531 298.1003 -183400.4017 -149163.8944 298.1914 -339.9918 -311.5819 558858.7373 -22.3880 -22.2803 PRESSURE: 971000 71.9292 -121.607 42.8183 -121.606 139.69 -84.7396 42.8176 -84.7382 109.555 GPRESSURE: 971000 158.369 -124.033 -34.2183 -105.43 154.425 -72.3625 50.3377 -98.5211 99.0073 PRESSAVG: 971000 15.3929 24.7056 -12.1714 24.7055 -29.402 -42.8775 -12.1714 -42.8775 12.2214 GPRESSAVG: 971000 14.1487 26.5467 -14.2189 21.5547 -28.835 -43.4556 -12.7726 -40.525 12.5336 TIMING: 971000 CPU: 2813.23, 0.0028878/step Wall: 2813.23, 0.0028878/step, 3.23193 hours remaining, 208.500000 MB of memory in use. ENERGY: 971000 737.0352 2086.8714 1956.6527 117.3403 -205868.7039 17847.1887 0.0000 0.0000 34117.3103 -149006.3053 297.9550 -183123.6156 -148915.0256 299.2042 107.0581 137.2671 557329.9017 -0.5959 -0.7176 PRESSURE: 971200 -61.5268 -88.7588 45.1964 -88.7599 -136.088 76.5951 45.1961 76.5938 109.718 GPRESSURE: 971200 28.3746 -137.961 29.6951 -19.5089 -131.937 58.3495 -58.2824 41.4145 109.836 PRESSAVG: 971200 77.395 -41.3479 0.107476 -41.3478 -23.4359 0.521126 0.10753 0.521122 -31.8892 GPRESSAVG: 971200 77.2094 -42.0378 0.241636 -38.826 -23.1323 2.32397 1.64947 -1.16685 -31.5549 TIMING: 971200 CPU: 2813.81, 0.002895/step Wall: 2813.81, 0.002895/step, 3.23983 hours remaining, 208.500000 MB of memory in use. ENERGY: 971200 736.0617 2065.5171 1946.3154 119.2779 -206062.5253 17759.0997 0.0000 0.0000 34586.9467 -148849.3068 302.0564 -183436.2535 -148754.0197 299.9776 -29.2990 2.0912 557390.3855 7.3566 7.5074 PRESSURE: 971400 128.186 11.4096 -135.115 11.4109 -117.447 -175.95 -135.114 -175.95 1.08323 GPRESSURE: 971400 138.057 -35.3784 -127.936 4.11503 -35.7133 -49.553 -146.279 -226.988 -11.8551 PRESSAVG: 971400 2.28698 -19.0355 40.4834 -19.0355 -17.0258 -23.8081 40.4834 -23.8081 -17.8931 GPRESSAVG: 971400 1.41058 -16.814 39.7471 -20.3149 -17.3961 -25.1181 40.5248 -23.1054 -17.0271 TIMING: 971400 CPU: 2814.39, 0.00290848/step Wall: 2814.39, 0.00290848/step, 3.25475 hours remaining, 208.500000 MB of memory in use. ENERGY: 971400 729.0182 2131.1914 1945.0164 114.0313 -205893.9319 17659.2744 0.0000 0.0000 34343.6243 -148971.7759 299.9314 -183315.4002 -148870.0326 300.3733 3.9406 30.1629 557472.7497 -10.8773 -11.0042 PRESSURE: 971600 66.4934 -233.52 -70.9818 -233.519 -184.061 59.5007 -70.9825 59.5009 -57.6074 GPRESSURE: 971600 67.8552 -223.142 -112.513 -179.123 -153.186 15.7047 -48.3568 106.109 5.93516 PRESSAVG: 971600 29.2197 -27.0834 0.776397 -27.0833 -59.3786 -6.374 0.77638 -6.37398 41.0781 GPRESSAVG: 971600 29.869 -29.4647 1.54974 -26.1962 -59.4524 -6.90925 0.225586 -5.32616 40.2192 TIMING: 971600 CPU: 2814.97, 0.00290791/step Wall: 2814.97, 0.00290791/step, 3.25395 hours remaining, 208.500000 MB of memory in use. ENERGY: 971600 706.1673 2146.4098 1943.3867 105.6507 -205934.4234 17669.3094 0.0000 0.0000 34367.7964 -148995.7033 300.1425 -183363.4997 -148897.4296 299.3231 -58.3918 -26.4651 557774.0193 3.6397 3.5453 PRESSURE: 971800 -84.5106 -7.75815 97.8771 -7.75909 -6.41353 102.426 97.877 102.425 -11.2475 GPRESSURE: 971800 -55.5549 -86.9313 91.7325 74.2313 -9.97538 112.861 68.2159 114.052 48.4051 PRESSAVG: 971800 31.2006 -17.6024 14.5161 -17.6025 11.1432 5.88419 14.5161 5.88423 -44.7739 GPRESSAVG: 971800 31.4866 -17.1014 13.3456 -19.1554 10.0434 5.51637 16.5351 5.80918 -44.2017 TIMING: 971800 CPU: 2815.55, 0.00290458/step Wall: 2815.55, 0.00290458/step, 3.25007 hours remaining, 208.500000 MB of memory in use. ENERGY: 971800 712.6221 2083.0220 1904.1829 125.1328 -205793.4454 17619.0752 0.0000 0.0000 34271.7776 -149077.6327 299.3040 -183349.4103 -148975.6249 299.3535 -34.0572 -5.7084 559161.6007 -0.8101 -0.8906 PRESSURE: 972000 -86.0709 -23.7252 -43.494 -23.7267 -8.70856 -5.63269 -43.495 -5.63432 -122.65 GPRESSURE: 972000 -87.5825 -9.2178 -20.9017 -41.6983 37.483 36.2411 -89.5641 -26.8964 -79.4803 PRESSAVG: 972000 -57.9815 2.45284 9.32728 2.45285 66.2798 -8.45909 9.32743 -8.45903 -41.5039 GPRESSAVG: 972000 -58.3361 3.23733 11.0753 3.81365 67.5251 -6.41873 4.44829 -8.58614 -42.839 TIMING: 972000 CPU: 2816.13, 0.00291627/step Wall: 2816.13, 0.00291627/step, 3.26299 hours remaining, 208.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 972000 737.2125 2105.4579 1924.5263 125.2723 -205769.4880 17541.6135 0.0000 0.0000 34215.4258 -149119.9797 298.8118 -183335.4055 -149032.0517 299.3325 -72.4766 -43.1933 557059.1063 -11.0685 -11.2167 PRESSURE: 972200 -28.5811 37.4074 49.1095 37.4087 -149.264 -26.1989 49.1095 -26.1998 -19.4172 GPRESSURE: 972200 39.217 -18.1655 -12.8793 18.4188 -116.717 -37.6981 114.361 -57.8783 -30.3006 PRESSAVG: 972200 87.2254 38.5172 -20.0899 38.5172 -57.9203 -27.6102 -20.09 -27.6101 -26.7376 GPRESSAVG: 972200 88.2027 37.2972 -22.7807 38.5099 -60.0735 -29.1756 -17.4927 -26.4057 -25.5575 TIMING: 972200 CPU: 2816.72, 0.00291232/step Wall: 2816.72, 0.00291232/step, 3.2584 hours remaining, 208.500000 MB of memory in use. ENERGY: 972200 742.4332 2110.1924 1939.0536 105.2097 -206090.1962 17863.9430 0.0000 0.0000 34125.1685 -149204.1957 298.0236 -183329.3643 -149108.5088 299.2752 -65.7540 -35.9335 558373.2832 0.8558 0.8572 LDB: ============= START OF LOAD BALANCING ============== 2820.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2820.1 LDB: =============== DONE WITH MIGRATION ================ 2820.11 LDB: ============= START OF LOAD BALANCING ============== 2820.4 LDB: Largest compute 4822 load 0.026613 is 22.6% of average load 0.117984 LDB: Average compute 0.001719 is 1.5% of average load 0.117984 LDB: TIME 2820.4 LOAD: AVG 0.117984 MAX 0.184289 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.809 MB LDB: TIME 2820.4 LOAD: AVG 0.117984 MAX 0.184289 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.012 MB LDB: TIME 2820.4 LOAD: AVG 0.117984 MAX 0.184289 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2820.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2820.4 PRESSURE: 972400 -4.99354 -10.6608 -280.417 -10.6601 119.15 -79.7866 -280.419 -79.7871 124.529 GPRESSURE: 972400 27.874 -79.26 -234.751 47.1418 160.542 -49.1812 -282.595 -51.7613 147.645 PRESSAVG: 972400 1.31636 44.9286 -9.27492 44.9285 32.8733 -27.7686 -9.27488 -27.7688 -2.18507 GPRESSAVG: 972400 0.515472 45.2808 -7.64716 44.3897 33.8514 -26.9715 -8.44774 -28.2019 -2.25871 TIMING: 972400 CPU: 2817.31, 0.00296853/step Wall: 2817.31, 0.00296853/step, 3.32112 hours remaining, 208.027344 MB of memory in use. ENERGY: 972400 744.5670 2079.3312 1931.3577 111.9103 -206264.5711 17900.2871 0.0000 0.0000 34250.5755 -149246.5423 299.1188 -183497.1177 -149142.8510 299.7801 79.5619 112.0204 556884.5943 10.6682 10.7027 PRESSURE: 972600 17.3192 -7.46902 -8.05687 -7.46829 51.7509 -9.27184 -8.05779 -9.27199 -151.819 GPRESSURE: 972600 11.3917 -66.7093 -42.9043 18.5967 107.117 36.9725 115.549 -77.7851 -86.9281 PRESSAVG: 972600 -19.733 -10.8994 -47.8749 -10.8994 21.6077 21.8903 -47.8749 21.8904 22.2774 GPRESSAVG: 972600 -19.6791 -10.5788 -48.6645 -8.90787 21.5949 23.9935 -46.3779 19.9863 22.3115 TIMING: 972600 CPU: 2817.89, 0.00289796/step Wall: 2817.89, 0.00289796/step, 3.24201 hours remaining, 208.355469 MB of memory in use. ENERGY: 972600 729.4015 2101.5977 1962.5991 113.2019 -206154.2036 17639.4741 0.0000 0.0000 34444.3771 -149163.5522 300.8113 -183607.9293 -149056.5701 299.3396 -27.5831 10.5267 557637.6923 8.0507 8.0758 PRESSURE: 972800 -171.778 -13.6558 -40.0223 -13.6554 58.5939 9.39055 -40.0231 9.39013 -158.688 GPRESSURE: 972800 -154.548 113.843 -90.2179 -36.18 60.3205 11.1367 6.11833 48.3249 -81.8964 PRESSAVG: 972800 -40.1529 18.3999 -15.6989 18.3998 34.5892 -25.5179 -15.6988 -25.5179 -62.3712 GPRESSAVG: 972800 -40.7409 19.4052 -12.9462 16.225 35.3656 -28.8404 -18.6832 -24.0588 -62.8336 TIMING: 972800 CPU: 2818.47, 0.00289747/step Wall: 2818.47, 0.00289747/step, 3.2413 hours remaining, 208.355469 MB of memory in use. ENERGY: 972800 786.2746 2072.1003 1936.0101 112.8947 -205993.5695 17609.6764 0.0000 0.0000 34398.6875 -149077.9260 300.4123 -183476.6135 -148981.7179 299.8694 -90.6240 -58.7080 555938.7209 -22.6450 -22.7363 PRESSURE: 973000 -217.76 -69.5997 68.405 -69.6002 -211.349 144.479 68.4054 144.478 -221.22 GPRESSURE: 973000 -197.735 -110.652 48.3298 -22.1298 -163.406 91.3173 74.5851 97.495 -193.283 PRESSAVG: 973000 32.9972 16.6568 -23.3175 16.6568 30.2513 -31.6814 -23.3174 -31.6813 -15.8237 GPRESSAVG: 973000 34.0264 16.2762 -24.7616 17.1607 30.1008 -30.0927 -22.851 -31.9149 -16.3057 TIMING: 973000 CPU: 2819.05, 0.00289549/step Wall: 2819.05, 0.00289549/step, 3.23893 hours remaining, 208.355469 MB of memory in use. ENERGY: 973000 803.7325 2132.5461 1936.1011 117.6485 -206133.2855 17685.2932 0.0000 0.0000 34477.7596 -148980.2046 301.1028 -183457.9642 -148874.1274 299.9852 -216.7761 -184.8082 557033.5502 15.8082 15.9405 PRESSURE: 973200 -176.98 54.3223 -161.765 54.3222 -283.353 19.3114 -161.765 19.3104 18.7256 GPRESSURE: 973200 -148.559 46.9241 -179.96 74.2832 -209.938 22.1551 -39.8059 37.5174 3.93476 PRESSAVG: 973200 9.10262 1.11612 -54.6102 1.11611 -59.1639 45.8672 -54.6101 45.8671 35.2799 GPRESSAVG: 973200 8.39764 1.35294 -54.5147 0.0261142 -60.0573 47.0753 -54.9127 44.9322 36.4156 TIMING: 973200 CPU: 2819.63, 0.00288798/step Wall: 2819.63, 0.00288798/step, 3.23036 hours remaining, 208.355469 MB of memory in use. ENERGY: 973200 735.9990 2133.1459 1958.5859 106.1025 -205498.1601 17419.9587 0.0000 0.0000 34253.4992 -148890.8690 299.1443 -183144.3682 -148787.5503 300.4034 -147.2026 -118.1871 557864.8347 -4.9271 -5.0813 PRESSURE: 973400 75.6602 -134.904 197.111 -134.905 9.87713 79.1063 197.112 79.1047 107.658 GPRESSURE: 973400 83.7883 -112.445 245.712 -94.9838 -1.753 131.521 249.66 70.5778 205.462 PRESSAVG: 973400 5.54954 -29.4621 0.378706 -29.4621 54.7372 -7.06329 0.378654 -7.06331 -28.5413 GPRESSAVG: 973400 5.26134 -30.6616 2.08438 -26.4334 56.8883 -5.09251 -0.0945269 -8.04805 -30.238 TIMING: 973400 CPU: 2820.2, 0.00288802/step Wall: 2820.2, 0.00288802/step, 3.23025 hours remaining, 208.355469 MB of memory in use. ENERGY: 973400 735.9992 2069.6029 1935.7655 111.2915 -206161.4254 17903.9404 0.0000 0.0000 34377.9892 -149026.8365 300.2315 -183404.8257 -148928.9955 300.1604 64.3985 95.8323 555376.6071 10.5818 10.6372 PRESSURE: 973600 -161.678 33.3029 143.574 33.3043 -135.051 -25.8698 143.573 -25.8696 49.8175 GPRESSURE: 973600 -159.765 -17.236 67.2917 51.5588 -60.9234 24.7596 76.9301 -98.6076 70.4996 PRESSAVG: 973600 -58.5448 -39.5674 -23.2878 -39.5673 14.2921 8.10035 -23.2879 8.10031 20.0259 GPRESSAVG: 973600 -57.974 -39.3379 -24.9404 -42.2125 12.8666 6.63406 -22.2208 8.16332 21.379 TIMING: 973600 CPU: 2820.78, 0.002889/step Wall: 2820.78, 0.002889/step, 3.23119 hours remaining, 208.355469 MB of memory in use. ENERGY: 973600 731.8172 2083.0332 1940.3892 109.8564 -206154.9006 17687.5164 0.0000 0.0000 34409.4462 -149192.8420 300.5063 -183602.2882 -149095.3414 300.1630 -82.3039 -50.0631 557284.2504 -8.0756 -7.9095 PRESSURE: 973800 -172.289 -115.786 -3.01895 -115.786 145.661 -13.2465 -3.01828 -13.2473 -210.402 GPRESSURE: 973800 -158.283 -145.143 56.6746 -158.104 203.187 62.2915 -79.2645 -18.9573 -192.908 PRESSAVG: 973800 -27.4388 -8.58688 11.2037 -8.58691 21.4239 64.3725 11.2037 64.3726 19.2647 GPRESSAVG: 973800 -27.4831 -9.94266 11.6572 -7.78907 22.5856 64.2646 10.5894 64.554 18.0527 TIMING: 973800 CPU: 2821.36, 0.00290605/step Wall: 2821.36, 0.00290605/step, 3.25009 hours remaining, 208.355469 MB of memory in use. ENERGY: 973800 758.0265 2087.3401 1972.9657 134.6163 -206011.0174 17748.5804 0.0000 0.0000 34231.8431 -149077.6452 298.9552 -183309.4883 -148979.0437 299.7036 -79.0102 -49.3349 558547.3800 4.4166 4.3850 PRESSURE: 974000 -296.861 36.9166 82.0142 36.9162 24.8838 -219.639 82.0148 -219.639 -168.937 GPRESSURE: 974000 -263.169 -15.8155 91.1115 67.6766 17.9397 -213.41 157.303 -203.084 -93.9503 PRESSAVG: 974000 -29.9564 43.4387 25.2374 43.4387 55.351 11.1986 25.2374 11.1987 -2.57612 GPRESSAVG: 974000 -30.4318 45.2005 22.7009 41.1787 54.8152 9.86418 26.4584 11.8156 -1.0789 TIMING: 974000 CPU: 2821.95, 0.00291797/step Wall: 2821.95, 0.00291797/step, 3.26326 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 974000 735.9140 2046.0587 1970.2623 116.6160 -205719.9047 17504.1326 0.0000 0.0000 34341.3979 -149005.5232 299.9120 -183346.9211 -148903.9189 299.7801 -146.9715 -113.0597 559948.3420 7.6062 7.7682 PRESSURE: 974200 -13.9886 -55.0999 -153.928 -55.0995 300.276 195.526 -153.928 195.527 37.401 GPRESSURE: 974200 18.7168 -18.668 -193.652 27.6692 295.938 186.077 -132.292 131.934 125.195 PRESSAVG: 974200 -2.74727 -10.6662 -40.35 -10.6663 13.3088 0.976285 -40.35 0.97632 -1.07194 GPRESSAVG: 974200 -0.750667 -10.4493 -38.427 -7.6413 12.1665 0.129961 -40.7578 2.10383 -1.23634 TIMING: 974200 CPU: 2822.52, 0.00289669/step Wall: 2822.52, 0.00289669/step, 3.2393 hours remaining, 208.355469 MB of memory in use. ENERGY: 974200 709.2896 2150.6307 1916.1530 105.4098 -206400.1525 17980.9388 0.0000 0.0000 34451.0665 -149086.6641 300.8697 -183537.7306 -148997.6516 300.4303 107.8961 146.6166 557011.9829 3.1632 3.3932 PRESSURE: 974400 -31.7292 4.18297 112.919 4.18276 -55.8977 -15.3594 112.919 -15.3589 120.876 GPRESSURE: 974400 19.2534 -50.8425 150.468 19.7177 -3.67835 12.0703 110.029 -25.1494 110.958 PRESSAVG: 974400 -14.8519 -1.85058 -7.93502 -1.85065 20.8929 62.4626 -7.93506 62.4627 47.7598 GPRESSAVG: 974400 -16.8958 -2.86936 -6.94321 -1.60783 22.2772 62.2294 -8.78605 60.5378 48.3805 TIMING: 974400 CPU: 2823.1, 0.00286463/step Wall: 2823.1, 0.00286463/step, 3.2033 hours remaining, 208.355469 MB of memory in use. ENERGY: 974400 780.2731 2044.4262 1939.1530 106.6311 -206515.6066 17984.3068 0.0000 0.0000 34242.2338 -149418.5825 299.0459 -183660.8164 -149316.1079 298.8867 11.0830 42.1778 556031.1335 17.9336 17.9206 PRESSURE: 974600 77.314 130.978 129.198 130.978 -134.231 -37.3532 129.198 -37.3515 56.4581 GPRESSURE: 974600 71.0179 153.565 142.821 130.381 -69.7826 -61.5865 209.371 -136.771 84.6306 PRESSAVG: 974600 -1.4371 -14.9863 34.9732 -14.9864 -40.2015 -5.17198 34.9732 -5.17198 -13.3146 GPRESSAVG: 974600 -2.14525 -14.934 34.6266 -16.1093 -39.9657 -3.77409 35.3428 -3.47887 -13.2101 TIMING: 974600 CPU: 2823.68, 0.00290197/step Wall: 2823.68, 0.00290197/step, 3.24489 hours remaining, 208.355469 MB of memory in use. ENERGY: 974600 756.0861 2113.3456 1948.0636 109.9648 -206594.4910 17957.9950 0.0000 0.0000 34341.5330 -149367.5028 299.9131 -183709.0358 -149276.3474 298.7991 -0.1531 28.6220 557554.6651 -18.3177 -18.4404 PRESSURE: 974800 -63.827 -20.7537 -32.9319 -20.7538 59.306 77.5579 -32.9327 77.5596 -423.013 GPRESSURE: 974800 -5.74042 -49.4614 47.2481 37.7035 55.6932 159.221 -126.234 108.155 -379.985 PRESSAVG: 974800 -22.7428 50.959 49.945 50.9591 -69.5833 22.8273 49.945 22.8274 58.8551 GPRESSAVG: 974800 -21.4158 50.64 50.3164 51.0023 -69.407 24.2106 49.1586 20.4551 57.8123 TIMING: 974800 CPU: 2824.26, 0.00288542/step Wall: 2824.26, 0.00288542/step, 3.22622 hours remaining, 208.355469 MB of memory in use. ENERGY: 974800 789.6001 2115.5115 1931.6112 123.6001 -206193.0884 17725.5042 0.0000 0.0000 34219.9013 -149287.3600 298.8509 -183507.2613 -149196.1191 299.1186 -142.5113 -110.0109 558598.7852 -11.1570 -11.0035 PRESSURE: 975000 -171.301 -8.16585 160.663 -8.1667 -249.562 -101.92 160.662 -101.92 -77.4426 GPRESSURE: 975000 -76.682 22.0909 152.314 -51.2628 -211.642 -11.3642 130.409 -127.365 -98.7288 PRESSAVG: 975000 27.1501 48.9344 21.8018 48.9345 -42.5478 24.9339 21.8018 24.9338 54.6393 GPRESSAVG: 975000 27.4069 48.7747 20.3691 49.2655 -43.2557 22.8611 22.9802 26.192 54.9767 TIMING: 975000 CPU: 2824.83, 0.00288806/step Wall: 2824.83, 0.00288806/step, 3.22901 hours remaining, 208.355469 MB of memory in use. ENERGY: 975000 796.1862 2090.6005 1937.0359 120.8048 -206182.1333 17675.0674 0.0000 0.0000 34275.7270 -149286.7114 299.3384 -183562.4385 -149184.2310 299.9826 -166.1019 -129.0176 559228.4452 13.0805 13.0426 PRESSURE: 975200 126.326 -3.14463 14.115 -3.14457 153.149 52.5174 14.1152 52.516 -174.554 GPRESSURE: 975200 144.27 7.05373 5.95635 -115.778 162.517 20.8367 -28.8088 40.0433 -108.13 PRESSAVG: 975200 -4.52601 -58.6932 -32.0683 -58.6933 55.4785 12.3935 -32.0683 12.3935 -59.6827 GPRESSAVG: 975200 -4.53954 -58.8244 -32.5703 -58.5087 55.6958 11.8877 -32.1277 12.0356 -59.5582 TIMING: 975200 CPU: 2825.41, 0.00289098/step Wall: 2825.41, 0.00289098/step, 3.23211 hours remaining, 208.355469 MB of memory in use. ENERGY: 975200 762.6771 2101.2276 1922.0545 121.1839 -206411.2214 17988.1312 0.0000 0.0000 34319.3776 -149196.5695 299.7197 -183515.9471 -149095.6213 298.9804 34.9738 66.2190 557447.9737 -2.9101 -2.8007 PRESSURE: 975400 316.986 67.9566 32.2852 67.9577 52.0263 12.7445 32.2851 12.7463 290.058 GPRESSURE: 975400 353.202 12.7287 62.6514 149.889 78.0892 -35.129 -44.2401 -21.0648 317.186 PRESSAVG: 975400 21.4014 -8.36228 -10.4814 -8.36238 49.2017 -19.7806 -10.4815 -19.7805 -43.9807 GPRESSAVG: 975400 21.7062 -5.2961 -9.77162 -10.3806 49.0402 -17.8419 -10.8411 -20.9614 -44.2779 TIMING: 975400 CPU: 2825.99, 0.00290697/step Wall: 2825.99, 0.00290697/step, 3.24983 hours remaining, 208.355469 MB of memory in use. ENERGY: 975400 712.9370 2174.1281 1929.6058 106.3413 -206626.7940 18113.4312 0.0000 0.0000 34178.1988 -149412.1517 298.4867 -183590.3506 -149311.6165 298.1515 219.6902 249.4926 557370.3875 8.8741 8.8228 PRESSURE: 975600 100.012 53.0508 205.488 53.0515 -99.4255 -118.126 205.489 -118.127 -63.6971 GPRESSURE: 975600 131.677 53.0733 188.373 -31.2024 -15.8532 -176.361 207.124 16.5386 -83.2649 PRESSAVG: 975600 61.5696 16.2494 47.3896 16.2494 -55.104 -26.2087 47.3896 -26.2087 17.8148 GPRESSAVG: 975600 61.0001 12.2298 48.3017 18.5944 -54.1384 -27.4082 47.055 -25.2274 17.7484 TIMING: 975600 CPU: 2826.57, 0.00290656/step Wall: 2826.57, 0.00290655/step, 3.24921 hours remaining, 208.355469 MB of memory in use. ENERGY: 975600 764.7492 2107.1535 1949.4114 116.8434 -206132.3877 17861.7782 0.0000 0.0000 34123.5726 -149208.8795 298.0096 -183332.4521 -149111.5871 298.7005 -21.0368 10.8530 558916.9199 8.0935 8.2034 PRESSURE: 975800 368.106 -84.2699 -36.494 -84.2696 -170.294 56.1365 -36.4944 56.1379 -40.782 GPRESSURE: 975800 395.612 -65.3358 -60.0545 -60.811 -201.651 28.8046 -13.7906 42.4805 68.2723 PRESSAVG: 975800 33.0278 55.241 -22.371 55.241 -49.2325 22.0784 -22.3711 22.0784 24.1508 GPRESSAVG: 975800 33.2896 55.675 -21.9056 53.8774 -49.5331 24.4085 -21.877 21.4321 24.1551 TIMING: 975800 CPU: 2827.15, 0.00287171/step Wall: 2827.15, 0.00287171/step, 3.2101 hours remaining, 208.355469 MB of memory in use. ENERGY: 975800 726.6491 2139.7988 1930.7132 106.8902 -206212.5724 18028.7616 0.0000 0.0000 34146.5274 -149133.2320 298.2101 -183279.7595 -149035.1017 299.2700 52.3436 87.4113 558681.7504 2.6487 2.6372 PRESSURE: 976000 -0.87563 27.9971 118.57 27.997 139.998 -1.0333 118.57 -1.03309 114.855 GPRESSURE: 976000 17.3716 40.0886 130.104 64.3701 146.558 58.5166 41.8486 -51.3679 187.965 PRESSAVG: 976000 -29.0539 -22.374 58.0993 -22.374 -27.9889 50.7227 58.0992 50.7228 27.8117 GPRESSAVG: 976000 -28.7 -20.8672 59.4509 -23.238 -28.7098 51.9757 58.2112 48.6241 28.3483 TIMING: 976000 CPU: 2827.73, 0.00290595/step Wall: 2827.73, 0.00290595/step, 3.24821 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 976000 783.5462 2102.5661 1946.4773 112.5854 -206422.8206 18061.4938 0.0000 0.0000 34280.7224 -149135.4293 299.3821 -183416.1517 -149038.7857 299.5633 84.6592 117.2983 559103.4882 -9.7437 -9.6872 PRESSURE: 976200 68.5841 154.742 -1.73227 154.742 4.76551 -149.238 -1.73337 -149.239 67.3573 GPRESSURE: 976200 91.1232 182.886 -28.5567 188.673 41.365 -169.253 66.6353 -173.792 98.6437 PRESSAVG: 976200 -42.4237 55.6047 29.8352 55.6047 61.6743 29.2698 29.8351 29.2699 -24.7386 GPRESSAVG: 976200 -43.1882 54.6151 28.6742 56.9436 62.711 26.9545 29.5994 31.595 -24.602 TIMING: 976200 CPU: 2828.32, 0.00293359/step Wall: 2828.32, 0.00293359/step, 3.27893 hours remaining, 208.355469 MB of memory in use. ENERGY: 976200 740.7923 2125.4816 1945.8795 112.4495 -206276.9434 17921.0701 0.0000 0.0000 34303.0776 -149128.1928 299.5773 -183431.2704 -149030.3781 299.5248 46.9023 77.0440 559071.3642 -1.8293 -1.6931 LDB: ============= START OF LOAD BALANCING ============== 2831.7 LDB: ============== END OF LOAD BALANCING =============== 2831.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2831.71 LDB: ============= START OF LOAD BALANCING ============== 2832 LDB: Largest compute 4822 load 0.025858 is 21.9% of average load 0.118022 LDB: Average compute 0.001719 is 1.5% of average load 0.118022 LDB: TIME 2832 LOAD: AVG 0.118022 MAX 0.184722 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.746 MB LDB: TIME 2832 LOAD: AVG 0.118022 MAX 0.184722 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 2832 LOAD: AVG 0.118022 MAX 0.184722 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2832.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2832.01 PRESSURE: 976400 72.1521 -112.305 40.7308 -112.306 -30.5391 51.8975 40.7314 51.8985 -131.416 GPRESSURE: 976400 66.7637 -143.637 -42.5795 -104.504 18.1743 120.005 78.6793 -51.1104 -83.3663 PRESSAVG: 976400 -42.6792 -17.5202 -5.73365 -17.5201 59.9059 12.1371 -5.73363 12.1369 -26.3301 GPRESSAVG: 976400 -42.1214 -19.4691 -5.05659 -17.3815 59.6671 8.83503 -4.41822 14.5223 -27.2125 TIMING: 976400 CPU: 2828.91, 0.0029879/step Wall: 2828.91, 0.0029879/step, 3.33947 hours remaining, 208.304688 MB of memory in use. ENERGY: 976400 717.9735 2107.1905 1954.3251 111.8236 -206270.6214 17946.1692 0.0000 0.0000 34248.7386 -149184.4008 299.1028 -183433.1395 -149089.2011 299.7581 -29.9343 0.5239 558540.1145 -3.0345 -3.2223 PRESSURE: 976600 -29.4308 -22.9073 146.676 -22.907 -162.661 59.9132 146.676 59.9126 -106.087 GPRESSURE: 976600 16.7597 -6.12569 121.222 38.4725 -178.666 12.7542 105.367 7.45748 -35.8834 PRESSAVG: 976600 12.0382 -46.5047 22.1189 -46.5047 -17.6072 -17.1553 22.1189 -17.1552 28.334 GPRESSAVG: 976600 11.1034 -45.0249 21.3272 -48.1035 -17.5938 -14.7658 20.604 -20.2001 29.7117 TIMING: 976600 CPU: 2829.49, 0.00289399/step Wall: 2829.49, 0.00289399/step, 3.23435 hours remaining, 208.304688 MB of memory in use. ENERGY: 976600 730.3961 2137.0583 1942.8852 104.7624 -206049.7815 17710.0986 0.0000 0.0000 34278.7618 -149145.8191 299.3650 -183424.5810 -149049.6047 298.7171 -99.3930 -65.9299 558064.7643 7.5883 7.7404 PRESSURE: 976800 -253.253 95.1583 183.151 95.1578 -345.9 115.124 183.151 115.125 120.259 GPRESSURE: 976800 -176.347 11.4572 222.051 28.0021 -363.459 79.7271 70.6227 38.7466 158.056 PRESSAVG: 976800 27.5334 -6.75676 10.5266 -6.75675 -8.79333 -5.09024 10.5266 -5.09017 4.09369 GPRESSAVG: 976800 28.34 -6.55765 10.8628 -7.25326 -9.14382 -5.38786 10.9859 -3.69265 3.90098 TIMING: 976800 CPU: 2830.07, 0.00290171/step Wall: 2830.07, 0.00290171/step, 3.24282 hours remaining, 208.304688 MB of memory in use. ENERGY: 976800 759.2103 2129.8777 1946.7654 100.0742 -206027.5736 17587.9723 0.0000 0.0000 34260.9750 -149242.6988 299.2096 -183503.6738 -149147.4963 298.9986 -159.6315 -127.2498 557577.4300 7.6113 7.6991 PRESSURE: 977000 -292.383 2.51694 -171.396 2.51768 8.72444 -94.2896 -171.397 -94.2918 -151.055 GPRESSURE: 977000 -254.006 19.7484 -165.966 31.7945 6.54061 -49.7721 -172.275 -158.597 -92.3037 PRESSAVG: 977000 -80.0005 -17.3482 -6.24576 -17.3481 1.42691 -0.669327 -6.24591 -0.669467 46.052 GPRESSAVG: 977000 -80.3039 -18.2258 -7.83555 -14.6867 1.49824 1.35899 -4.10118 -2.65952 45.4845 TIMING: 977000 CPU: 2830.65, 0.00289682/step Wall: 2830.65, 0.00289682/step, 3.2372 hours remaining, 208.304688 MB of memory in use. ENERGY: 977000 737.5758 2110.2106 1928.0741 135.5036 -205985.5380 17643.8981 0.0000 0.0000 34372.5771 -149057.6988 300.1843 -183430.2759 -148965.9809 298.7976 -144.9042 -113.2562 558067.1035 -10.8406 -11.1071 PRESSURE: 977200 -76.4648 93.7825 -83.9641 93.7833 46.2968 -101.235 -83.9632 -101.235 -51.9852 GPRESSURE: 977200 -76.3693 139.411 -126.297 131.874 91.4227 -107.24 -53.954 -97.8383 -6.14309 PRESSAVG: 977200 11.0992 30.3371 11.2784 30.3369 -5.45994 3.25321 11.2784 3.25327 23.9015 GPRESSAVG: 977200 10.8157 30.033 11.8767 29.0789 -5.04886 0.425014 10.7599 5.92768 23.8738 TIMING: 977200 CPU: 2831.23, 0.00286967/step Wall: 2831.23, 0.00286967/step, 3.2067 hours remaining, 208.304688 MB of memory in use. ENERGY: 977200 734.0160 2123.5653 1948.7420 117.4200 -206127.6890 17756.4053 0.0000 0.0000 34386.4899 -149061.0505 300.3058 -183447.5404 -148958.7441 299.7051 -27.3844 2.9701 557130.1207 9.8469 9.8802 PRESSURE: 977400 -181.338 -109.322 -40.4227 -109.321 -11.8768 -63.1885 -40.4229 -63.1885 -136.508 GPRESSURE: 977400 -126.753 -93.6257 14.3057 -98.2534 -11.3729 -27.0822 -109.412 -66.9434 -92.2001 PRESSAVG: 977400 -49.1015 16.5097 -70.2999 16.5097 -12.3268 -42.8964 -70.2999 -42.8964 52.667 GPRESSAVG: 977400 -49.2902 18.2213 -68.4585 17.9424 -12.8446 -45.6084 -72.4294 -39.8622 53.1651 TIMING: 977400 CPU: 2831.8, 0.00288892/step Wall: 2831.8, 0.00288892/step, 3.22805 hours remaining, 208.304688 MB of memory in use. ENERGY: 977400 764.5943 2162.6304 1903.0743 102.8944 -206178.4641 17841.7838 0.0000 0.0000 34250.4998 -149152.9871 299.1181 -183403.4869 -149055.3901 300.0664 -109.9077 -76.7752 560110.4492 -2.9204 -2.9899 PRESSURE: 977600 -185.651 -66.1483 83.5952 -66.149 -151.274 -191.779 83.5947 -191.779 -91.2794 GPRESSURE: 977600 -81.349 -108.166 85.6289 -94.0322 -149.948 -203.157 21.6741 -217.152 -96.47 PRESSAVG: 977600 -19.8129 -28.4862 -26.8118 -28.4863 11.5458 -51.2526 -26.8117 -51.2524 18.7916 GPRESSAVG: 977600 -19.6019 -27.5771 -27.079 -30.9412 11.6798 -48.3159 -24.1056 -54.3062 18.1915 TIMING: 977600 CPU: 2832.38, 0.00288379/step Wall: 2832.38, 0.00288379/step, 3.22216 hours remaining, 208.304688 MB of memory in use. ENERGY: 977600 772.5645 2106.5268 1957.5799 115.1139 -206034.9173 17654.2462 0.0000 0.0000 34226.0193 -149202.8666 298.9043 -183428.8858 -149106.9124 299.8906 -142.7346 -109.2555 557913.5466 3.5082 3.4231 PRESSURE: 977800 89.2955 18.4305 -66.85 18.4312 -80.0491 -97.314 -66.8506 -97.3145 -117.796 GPRESSURE: 977800 115.299 -38.4922 -135.177 40.5774 -37.3988 -122.122 -1.17358 -31.566 -98.8393 PRESSAVG: 977800 78.3946 -18.396 7.40359 -18.396 8.99989 -26.0481 7.40354 -26.048 -61.4947 GPRESSAVG: 977800 78.1572 -20.2029 5.67613 -19.4725 9.51802 -23.7763 7.01469 -26.0521 -61.1783 TIMING: 977800 CPU: 2832.96, 0.00289411/step Wall: 2832.96, 0.00289411/step, 3.23353 hours remaining, 208.304688 MB of memory in use. ENERGY: 977800 744.7417 2097.3921 1924.8823 92.2811 -206082.1507 17764.6580 0.0000 0.0000 34221.0608 -149237.1347 298.8610 -183458.1955 -149139.9650 299.8099 -36.1832 -6.9798 557187.7526 8.6333 8.8323 PRESSURE: 978000 8.68878 67.8851 6.69033 67.8855 -273.174 116.153 6.69066 116.152 166.936 GPRESSURE: 978000 69.49 44.8493 37.6817 -13.7248 -199.488 67.6291 32.5045 149.683 133.739 PRESSAVG: 978000 107.107 -24.0793 -102.415 -24.0793 -39.4788 -20.2344 -102.415 -20.2344 -102.103 GPRESSAVG: 978000 107.828 -23.2683 -99.8231 -25.0976 -40.2823 -22.4273 -103.028 -19.2242 -102.516 TIMING: 978000 CPU: 2833.54, 0.00290989/step Wall: 2833.54, 0.00290989/step, 3.25099 hours remaining, 208.304688 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: 978000 739.1099 2131.0471 1958.8335 111.7058 -205984.1018 17492.2267 0.0000 0.0000 34228.4101 -149322.7686 298.9252 -183551.1787 -149223.7960 299.0157 -32.5164 1.2473 555500.2205 -11.4916 -11.6565 PRESSURE: 978200 -47.0138 93.91 -89.5785 93.9096 -107.42 30.403 -89.5793 30.4013 109.869 GPRESSURE: 978200 -8.24472 119.204 -126.782 134.302 -65.2417 180.199 -137.237 -78.8495 131.517 PRESSAVG: 978200 2.54873 10.4525 -57.1038 10.4525 55.4907 90.6786 -57.1038 90.6786 -31.0018 GPRESSAVG: 978200 1.71789 9.97711 -59.5041 11.5893 55.686 93.3901 -58.5369 88.2308 -30.9407 TIMING: 978200 CPU: 2834.12, 0.00288906/step Wall: 2834.12, 0.00288906/step, 3.22756 hours remaining, 208.304688 MB of memory in use. ENERGY: 978200 746.2435 2132.6783 1927.1529 123.8231 -206312.9461 17678.9119 0.0000 0.0000 34262.1617 -149441.9747 299.2200 -183704.1364 -149356.8626 298.6572 -14.8549 19.3434 556369.0877 9.0125 8.8211 PRESSURE: 978400 -80.5265 66.0362 -90.7742 66.0356 -127.058 -49.7881 -90.7756 -49.788 -260.993 GPRESSURE: 978400 -103.874 120.016 -150.702 -12.7024 -74.2634 -161.024 -82.554 -69.0991 -182.664 PRESSAVG: 978400 -4.46844 -30.9765 -63.8554 -30.9765 107.586 14.6428 -63.8554 14.643 -70.3168 GPRESSAVG: 978400 -4.21386 -29.6015 -62.0648 -30.9523 107.177 12.3946 -63.7635 16.7536 -69.834 TIMING: 978400 CPU: 2834.7, 0.00290028/step Wall: 2834.7, 0.00290028/step, 3.23994 hours remaining, 208.304688 MB of memory in use. ENERGY: 978400 778.2211 2036.0133 1925.1493 110.4411 -206470.1020 17903.9642 0.0000 0.0000 34248.1445 -149468.1686 299.0976 -183716.3131 -149371.1960 298.2364 -156.1925 -120.2669 557038.4298 10.9336 11.0432 PRESSURE: 978600 -448.497 -64.5529 97.6045 -64.5525 -82.6619 -214.292 97.6063 -214.291 -167.631 GPRESSURE: 978600 -405.023 -65.7478 120.47 -83.1524 -51.877 -153.522 63.2226 -219.875 -152.096 PRESSAVG: 978600 -9.52521 41.3975 -18.2993 41.3975 8.04316 -13.8896 -18.2994 -13.8896 43.1154 GPRESSAVG: 978600 -10.0977 40.2818 -18.3956 41.7645 7.89458 -12.1118 -17.6643 -14.4778 43.5297 TIMING: 978600 CPU: 2835.27, 0.00287882/step Wall: 2835.27, 0.00287882/step, 3.2158 hours remaining, 208.304688 MB of memory in use. ENERGY: 978600 783.7328 2118.5994 1955.9779 113.2587 -205925.0378 17459.2948 0.0000 0.0000 34043.4537 -149450.7206 297.3099 -183494.1743 -149352.3852 298.5192 -232.9300 -202.9987 556398.7247 13.8778 13.7755 PRESSURE: 978800 135.815 -173.783 -122.78 -173.783 -32.6601 55.6892 -122.78 55.6902 344.995 GPRESSURE: 978800 154.856 -216.574 -74.0112 -119.907 7.80296 119.836 -147.512 40.4683 379.405 PRESSAVG: 978800 -47.5564 -9.25728 6.7053 -9.25728 32.6005 -65.2858 6.70531 -65.2859 42.8906 GPRESSAVG: 978800 -46.3841 -7.86415 5.56599 -8.07734 33.6311 -65.6047 7.38889 -66.6021 40.2145 TIMING: 978800 CPU: 2835.85, 0.00288165/step Wall: 2835.85, 0.00288165/step, 3.2188 hours remaining, 208.304688 MB of memory in use. ENERGY: 978800 767.7499 2137.2304 1922.6843 118.6771 -206886.9454 18117.3650 0.0000 0.0000 34518.8687 -149304.3699 301.4619 -183823.2386 -149209.1112 298.5238 149.3835 180.6877 556576.7561 9.3116 9.1538 PRESSURE: 979000 -24.9174 16.8269 -148.919 16.8267 -128.073 -4.56052 -148.919 -4.56025 79.1243 GPRESSURE: 979000 38.6442 -12.7771 -117.43 82.3902 -112.847 -61.1931 -131.175 98.6143 89.6633 PRESSAVG: 979000 43.407 17.3204 -1.14178 17.3205 14.1302 -10.991 -1.14174 -10.9911 30.3319 GPRESSAVG: 979000 42.0383 16.2629 0.47038 18.0987 12.6471 -12.5377 -1.76199 -9.67782 33.4551 TIMING: 979000 CPU: 2836.42, 0.00286691/step Wall: 2836.42, 0.00286691/step, 3.20218 hours remaining, 208.304688 MB of memory in use. ENERGY: 979000 736.5200 2156.6816 1955.5241 108.1388 -205602.7985 17490.5065 0.0000 0.0000 33995.2979 -149160.1296 296.8894 -183155.4276 -149065.8711 299.0894 -24.6219 5.1536 555878.3329 29.2897 29.3802 PRESSURE: 979200 -170.133 120.073 -74.0678 120.073 73.5201 -199.001 -74.0684 -199.002 -103.946 GPRESSURE: 979200 -149.592 126.189 -74.7306 37.3096 137.233 -158.241 -82.4413 -243.637 -83.1423 PRESSAVG: 979200 -4.81385 25.0694 21.9099 25.0694 -59.5653 -25.3926 21.91 -25.3925 22.1309 GPRESSAVG: 979200 -3.66686 26.1506 19.1603 22.6952 -59.7687 -27.1747 23.0229 -25.9304 21.5731 TIMING: 979200 CPU: 2837, 0.00286851/step Wall: 2837, 0.00286851/step, 3.20381 hours remaining, 208.304688 MB of memory in use. ENERGY: 979200 719.6543 2058.6586 1930.4227 127.5844 -206024.8304 17724.5982 0.0000 0.0000 34152.6076 -149311.3046 298.2632 -183463.9122 -149221.3563 299.6280 -66.8529 -31.8341 557285.6600 -14.0828 -13.9542 PRESSURE: 979400 -57.0626 -25.305 -110.44 -25.3049 -161.46 50.3758 -110.439 50.3764 -289.756 GPRESSURE: 979400 19.7124 20.817 -111.116 63.0345 -201.495 91.3146 -121.271 -21.8262 -226.24 PRESSAVG: 979400 -39.5426 -46.0415 -35.303 -46.0415 53.3209 -74.6371 -35.3031 -74.6371 26.3238 GPRESSAVG: 979400 -39.5645 -45.8981 -35.1017 -42.5663 52.6977 -72.3239 -35.9456 -76.3088 26.7157 TIMING: 979400 CPU: 2837.58, 0.00289827/step Wall: 2837.58, 0.00289827/step, 3.23688 hours remaining, 208.304688 MB of memory in use. ENERGY: 979400 747.9114 2090.0277 1931.2815 105.5944 -206049.8540 17477.3106 0.0000 0.0000 34351.6693 -149346.0592 300.0017 -183697.7285 -149250.6569 298.6453 -169.4261 -136.0076 557387.9329 13.3673 13.2830 PRESSURE: 979600 -208.694 127.221 120.403 127.221 83.9494 -129.617 120.404 -129.617 -228.414 GPRESSURE: 979600 -135.94 56.093 67.164 96.7499 74.618 -129.038 176.676 -75.3953 -197.108 PRESSAVG: 979600 -35.9832 45.4279 -33.5275 45.4279 21.5927 -57.7581 -33.5274 -57.7583 -33.5115 GPRESSAVG: 979600 -35.4807 44.9226 -32.1475 40.304 22.1401 -56.3943 -34.4175 -57.0109 -34.2081 TIMING: 979600 CPU: 2838.16, 0.00288876/step Wall: 2838.16, 0.00288876/step, 3.2261 hours remaining, 208.304688 MB of memory in use. ENERGY: 979600 724.4888 2140.6903 1933.0172 122.2085 -206095.3235 17575.9060 0.0000 0.0000 34105.5466 -149493.4661 297.8522 -183599.0127 -149397.4504 298.3755 -117.7196 -86.1435 558919.2547 -15.9673 -15.8496 PRESSURE: 979800 54.7624 -86.0724 -3.21685 -86.0723 161.726 -49.4644 -3.21778 -49.4665 -140.172 GPRESSURE: 979800 95.0413 -46.028 -87.3446 -19.3085 171.785 -61.8114 77.8153 -75.9632 -89.5073 PRESSAVG: 979800 46.6286 -38.3882 -40.4102 -38.3881 0.821294 0.614782 -40.4102 0.614788 -20.2876 GPRESSAVG: 979800 46.9539 -38.3868 -40.4713 -35.6852 1.53865 -0.350772 -39.6699 3.40162 -21.4818 TIMING: 979800 CPU: 2838.73, 0.00286729/step Wall: 2838.73, 0.00286729/step, 3.20197 hours remaining, 208.304688 MB of memory in use. ENERGY: 979800 753.7757 2213.8410 1943.8718 105.2160 -206333.2431 17802.6414 0.0000 0.0000 34085.2499 -149428.6472 297.6750 -183513.8971 -149341.3980 298.4232 25.4387 59.1063 556650.9387 9.0541 9.0036 PRESSURE: 980000 -102.618 -159.251 1.0272 -159.252 -76.3358 46.8997 1.02708 46.9003 -203.312 GPRESSURE: 980000 -60.1855 -139.564 -27.18 -208.618 -116.839 60.5183 9.98869 29.8688 -104.614 PRESSAVG: 980000 50.3171 -37.4162 32.6247 -37.4162 71.5409 -3.32155 32.6246 -3.32151 -99.0182 GPRESSAVG: 980000 49.3683 -37.0561 33.369 -38.3691 71.6144 -2.31526 32.9734 -6.04693 -97.9435 TIMING: 980000 CPU: 2839.31, 0.0028838/step Wall: 2839.31, 0.0028838/step, 3.22024 hours remaining, 208.304688 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: 980000 763.3176 2121.6600 1963.8683 110.1495 -206076.2756 17571.8736 0.0000 0.0000 34132.9995 -149412.4072 298.0920 -183545.4066 -149318.2893 299.2189 -127.4219 -93.8796 555300.9653 7.6132 7.6797 PRESSURE: 980200 -443.326 89.073 84.8721 89.072 -8.31293 86.1441 84.8709 86.1444 -80.7504 GPRESSURE: 980200 -330.04 65.1826 142.071 176.725 6.11182 57.8452 140.909 64.5514 -113.169 PRESSAVG: 980200 -0.89859 16.6984 -1.69678 16.6983 -21.0488 8.52435 -1.69665 8.52431 -5.5521 GPRESSAVG: 980200 -0.885663 16.7545 -1.62336 18.7762 -20.5067 5.6467 -3.11726 9.44465 -5.33619 TIMING: 980200 CPU: 2839.88, 0.00289218/step Wall: 2839.88, 0.00289218/step, 3.22944 hours remaining, 208.304688 MB of memory in use. ENERGY: 980200 741.4027 2098.7603 1966.2575 119.7164 -206047.6690 17454.2035 0.0000 0.0000 34307.2429 -149360.0856 299.6137 -183667.3286 -149264.2250 299.1829 -177.4630 -145.6990 556600.0280 -9.1665 -8.9095 LDB: ============= START OF LOAD BALANCING ============== 2843.27 LDB: ============== END OF LOAD BALANCING =============== 2843.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2843.27 LDB: ============= START OF LOAD BALANCING ============== 2843.56 LDB: Largest compute 4820 load 0.025841 is 21.9% of average load 0.118063 LDB: Average compute 0.001711 is 1.4% of average load 0.118063 LDB: TIME 2843.57 LOAD: AVG 0.118063 MAX 0.187029 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.133 MB LDB: TIME 2843.57 LOAD: AVG 0.118063 MAX 0.187029 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.16 MB LDB: TIME 2843.57 LOAD: AVG 0.118063 MAX 0.187029 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.16 MB LDB: ============== END OF LOAD BALANCING =============== 2843.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2843.57 PRESSURE: 980400 55.5858 -128.506 79.7089 -128.503 -195.658 -86.092 79.7085 -86.0934 -208.141 GPRESSURE: 980400 95.9075 -116.404 36.5483 -172.209 -195.841 -93.385 122.581 -35.2196 -141.749 PRESSAVG: 980400 41.2915 -17.3232 45.9977 -17.3231 -25.4794 -21.1287 45.9977 -21.1286 -10.1943 GPRESSAVG: 980400 41.8493 -17.4899 46.9493 -20.5109 -26.4903 -18.9804 44.9217 -22.2807 -9.70246 TIMING: 980400 CPU: 2840.48, 0.00296304/step Wall: 2840.48, 0.00296304/step, 3.30839 hours remaining, 209.703125 MB of memory in use. ENERGY: 980400 752.7748 2076.0908 1946.7722 105.7978 -206323.7163 17792.4587 0.0000 0.0000 34177.0942 -149472.7276 298.4771 -183649.8218 -149386.7219 299.1976 -116.0712 -80.5608 555898.3620 1.8726 1.8855 PRESSURE: 980600 -37.1717 -105.531 -77.8288 -105.532 -14.4987 -91.2849 -77.8271 -91.2852 -61.4577 GPRESSURE: 980600 37.8936 -28.33 -123.212 -98.5106 31.453 -170.845 -18.2715 10.4192 -77.2539 PRESSAVG: 980600 -24.9663 -22.26 14.3368 -22.2601 42.1633 15.9658 14.3368 15.9659 -17.2791 GPRESSAVG: 980600 -25.5366 -23.3748 14.4358 -19.867 42.0777 17.2002 16.1542 16.4311 -16.9797 TIMING: 980600 CPU: 2841.06, 0.00289303/step Wall: 2841.06, 0.00289303/step, 3.23007 hours remaining, 209.703125 MB of memory in use. ENERGY: 980600 725.3394 2088.0735 1944.7368 98.2173 -206051.6635 17611.1866 0.0000 0.0000 34250.5956 -149333.5143 299.1190 -183584.1099 -149237.5060 298.7931 -37.7094 -2.6358 555933.4985 -0.0274 -0.1462 PRESSURE: 980800 -247.12 8.54316 -37.2006 8.54386 -206.193 -159.109 -37.2023 -159.108 39.0902 GPRESSURE: 980800 -230.745 12.8388 -10.1801 11.5425 -191.23 -167.295 42.0687 -125.14 101.12 PRESSAVG: 980800 -1.08587 -21.764 -72.1183 -21.764 43.4332 6.34533 -72.1182 6.34537 -3.02727 GPRESSAVG: 980800 -1.44376 -19.3346 -73.0831 -24.0266 44.1006 4.60536 -73.516 7.39892 -2.90232 TIMING: 980800 CPU: 2841.63, 0.00288115/step Wall: 2841.63, 0.00288115/step, 3.21664 hours remaining, 209.703125 MB of memory in use. ENERGY: 980800 739.4884 2053.9221 1965.5884 110.3656 -206165.8702 17531.9398 0.0000 0.0000 34241.8053 -149522.7606 299.0422 -183764.5659 -149424.3180 298.5181 -138.0744 -106.9517 556453.7346 13.1067 13.2515 PRESSURE: 981000 -172.841 -47.3589 108.498 -47.3587 53.8285 76.0312 108.498 76.03 -152.814 GPRESSURE: 981000 -164.274 -45.3209 136.03 -61.1581 90.1762 99.2386 162.567 160.625 -93.7462 PRESSAVG: 981000 -53.1243 16.4212 2.56778 16.4212 -5.08453 57.4077 2.56777 57.4077 49.3276 GPRESSAVG: 981000 -52.0658 14.9972 3.93079 17.6363 -4.75404 56.3047 4.15587 57.894 48.1151 TIMING: 981000 CPU: 2842.21, 0.00288406/step Wall: 2842.21, 0.00288406/step, 3.21973 hours remaining, 209.703125 MB of memory in use. ENERGY: 981000 742.7129 2099.0392 1945.8149 114.8127 -206098.1042 17663.9687 0.0000 0.0000 34108.2191 -149423.5367 297.8756 -183531.7557 -149329.8615 298.4354 -90.6087 -55.9479 557560.9321 -2.9604 -2.9016 PRESSURE: 981200 27.6816 103.476 -110.911 103.476 -223.013 -13.8193 -110.911 -13.8181 -11.1897 GPRESSURE: 981200 66.2668 99.9325 -70.3723 46.5969 -173.504 -58.735 -99.7195 -17.9521 18.7331 PRESSAVG: 981200 30.5129 53.0912 32.8657 53.0913 25.9562 36.1629 32.8656 36.163 -44.4977 GPRESSAVG: 981200 30.2567 53.1071 31.3199 52.4216 24.9412 35.4029 33.1501 35.3228 -43.0807 TIMING: 981200 CPU: 2842.79, 0.00290279/step Wall: 2842.79, 0.00290279/step, 3.24048 hours remaining, 209.703125 MB of memory in use. ENERGY: 981200 754.9392 2062.6709 1938.9617 114.5915 -206221.3755 17852.9867 0.0000 0.0000 34047.3643 -149449.8611 297.3441 -183497.2254 -149358.2484 297.9470 -68.8403 -29.5015 556969.8509 3.9905 4.0391 PRESSURE: 981400 -56.6462 -61.1914 -29.4415 -61.1917 -36.1687 69.0784 -29.4415 69.0798 15.4782 GPRESSURE: 981400 -14.7753 -12.7335 -58.9576 -81.3878 -2.8395 49.5655 66.2153 60.6721 32.0313 PRESSAVG: 981400 39.1698 14.1024 14.71 14.1024 -22.821 -23.4341 14.7101 -23.4342 -4.17596 GPRESSAVG: 981400 40.7383 14.468 15.0254 14.8967 -23.8282 -22.2565 14.4102 -23.7632 -5.26575 TIMING: 981400 CPU: 2843.37, 0.00291201/step Wall: 2843.37, 0.00291201/step, 3.25062 hours remaining, 209.703125 MB of memory in use. ENERGY: 981400 767.2785 2061.1726 1943.3361 117.6810 -206447.0223 17815.6698 0.0000 0.0000 34340.2904 -149401.5939 299.9023 -183741.8843 -149304.2295 298.3260 -25.7789 4.8055 555888.8829 4.0576 3.8815 PRESSURE: 981600 -176.24 -19.3082 -24.9339 -19.3074 -49.8553 -151.208 -24.9344 -151.208 138.31 GPRESSURE: 981600 -142.986 64.2819 -53.6249 -70.1069 -23.2172 -142.486 12.2713 -53.7965 159.618 PRESSAVG: 981600 25.5417 -19.703 -45.9279 -19.7031 -24.4332 -34.7622 -45.9279 -34.7621 -5.19198 GPRESSAVG: 981600 24.3689 -19.8399 -46.3762 -18.6661 -23.4792 -33.698 -44.7513 -35.0035 -4.7176 TIMING: 981600 CPU: 2843.95, 0.00288329/step Wall: 2843.95, 0.00288329/step, 3.21839 hours remaining, 209.703125 MB of memory in use. ENERGY: 981600 725.8681 2070.0807 1959.1384 114.8223 -206466.4469 17679.1849 0.0000 0.0000 34578.1982 -149339.1543 301.9800 -183917.3524 -149243.2118 299.1498 -29.2619 -2.1953 555622.9494 -1.3612 -1.2760 PRESSURE: 981800 -264.168 44.0743 122.709 44.0748 71.9764 -61.3168 122.71 -61.316 12.2858 GPRESSURE: 981800 -276.084 11.7534 150.976 48.6292 110.714 -58.6715 140.36 -8.56395 85.5576 PRESSAVG: 981800 -60.9367 37.6818 39.8163 37.6817 -4.0307 -46.7549 39.8163 -46.755 87.5866 GPRESSAVG: 981800 -61.2956 39.0516 41.6027 34.5558 -3.048 -45.7765 38.3865 -48.0913 87.1597 TIMING: 981800 CPU: 2844.52, 0.00288143/step Wall: 2844.52, 0.00288143/step, 3.21615 hours remaining, 209.703125 MB of memory in use. ENERGY: 981800 761.9159 2088.1599 1909.5770 106.6765 -206165.0755 17603.0071 0.0000 0.0000 34227.0173 -149468.7218 298.9131 -183695.7391 -149377.1992 298.8746 -59.9686 -26.6042 555423.1256 7.5397 7.6054 PRESSURE: 982000 -181.689 -172.397 -151.472 -172.398 -106.179 120.666 -151.471 120.665 -65.4213 GPRESSURE: 982000 -147.376 -152.332 -87.0279 -152.302 -61.2122 41.9864 -279.489 118.147 -50.4506 PRESSAVG: 982000 -40.6101 22.4875 -26.8976 22.4875 -15.2474 34.148 -26.8976 34.1479 64.4055 GPRESSAVG: 982000 -39.6557 21.0122 -28.466 24.2935 -16.0827 31.1231 -27.1363 36.4523 64.3864 TIMING: 982000 CPU: 2845.1, 0.00289654/step Wall: 2845.1, 0.00289654/step, 3.23286 hours remaining, 209.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 982000 742.5533 2033.4238 1928.5938 113.3626 -206211.8436 17715.9051 0.0000 0.0000 34239.1086 -149438.8963 299.0187 -183678.0049 -149346.5391 298.7493 -117.7629 -86.3462 557123.5779 2.8493 2.8827 PRESSURE: 982200 38.5005 -16.3285 -142.974 -16.3285 -83.4489 16.0885 -142.974 16.0891 73.7139 GPRESSURE: 982200 5.42242 12.7232 -128.354 -77.3428 -28.7176 -22.7383 -168.091 52.2616 146.023 PRESSAVG: 982200 -36.9011 14.636 -25.4199 14.6359 10.7837 47.3996 -25.4199 47.3995 -11.2968 GPRESSAVG: 982200 -36.941 14.7149 -24.5787 15.1743 9.78388 47.2462 -26.1678 46.5601 -10.3797 TIMING: 982200 CPU: 2845.68, 0.00288202/step Wall: 2845.68, 0.00288202/step, 3.21649 hours remaining, 209.703125 MB of memory in use. ENERGY: 982200 746.7205 2096.3532 1966.2043 112.6280 -206354.1218 17645.9720 0.0000 0.0000 34519.9992 -149266.2446 301.4717 -183786.2438 -149174.6951 299.2588 9.5885 40.9094 555673.8506 -12.4714 -12.5123 PRESSURE: 982400 293.892 -3.10394 -135.487 -3.10559 -150.831 -27.8664 -135.488 -27.8658 104.425 GPRESSURE: 982400 277.182 50.4911 -41.1802 -40.9621 -52.9926 -2.93788 -148.277 -2.7903 127.651 PRESSAVG: 982400 -3.68221 6.98531 20.2809 6.98525 -3.62165 13.3627 20.2808 13.3628 16.2791 GPRESSAVG: 982400 -4.62122 8.19379 21.2571 6.03739 -2.18403 14.857 21.5405 12.8288 16.1966 TIMING: 982400 CPU: 2846.25, 0.00287259/step Wall: 2846.25, 0.00287259/step, 3.20582 hours remaining, 209.703125 MB of memory in use. ENERGY: 982400 748.2401 2130.3290 1940.2097 117.9244 -206067.6294 17760.6103 0.0000 0.0000 34100.3584 -149269.9576 297.8069 -183370.3159 -149168.8266 299.8657 82.4955 117.2801 555905.4375 2.9917 3.1305 PRESSURE: 982600 150.992 153.19 -139.533 153.189 -207.291 135.808 -139.533 135.808 85.1902 GPRESSURE: 982600 217.861 142.853 -129.085 175.271 -196.011 71.3806 -160.711 131.423 116.121 PRESSAVG: 982600 4.12087 82.0826 -21.3791 82.0826 -1.39496 13.7965 -21.3791 13.7965 36.3364 GPRESSAVG: 982600 4.14953 80.5992 -21.6512 81.0046 -0.371226 12.7672 -22.8664 14.6923 35.4056 TIMING: 982600 CPU: 2846.83, 0.00288765/step Wall: 2846.83, 0.00288765/step, 3.22246 hours remaining, 209.703125 MB of memory in use. ENERGY: 982600 757.2685 2135.3362 1926.8518 117.8592 -206388.2001 17831.3375 0.0000 0.0000 34448.0392 -149171.5077 300.8433 -183619.5469 -149074.8762 299.6704 9.6307 45.9904 558445.1027 13.0208 13.0613 PRESSURE: 982800 -67.2427 172.401 -41.9612 172.4 -298.06 38.5161 -41.9609 38.5157 -34.8166 GPRESSURE: 982800 -62.2689 185.746 -73.2494 161.5 -256.846 59.8546 -39.0605 89.4716 15.875 PRESSAVG: 982800 69.5037 42.3519 -25.7212 42.3518 -7.77619 21.7944 -25.7211 21.7943 -31.9374 GPRESSAVG: 982800 69.9995 44.4544 -27.9311 42.8942 -8.95936 22.2669 -23.9398 21.2141 -31.2327 TIMING: 982800 CPU: 2847.41, 0.00288449/step Wall: 2847.41, 0.00288449/step, 3.21877 hours remaining, 209.703125 MB of memory in use. ENERGY: 982800 749.1645 2110.6384 1930.6172 114.7734 -206302.3238 17631.9418 0.0000 0.0000 34487.9679 -149277.2207 301.1920 -183765.1886 -149182.6318 299.9090 -133.3729 -101.0799 558162.0714 9.9301 9.9358 PRESSURE: 983000 -207.294 -75.5159 53.09 -75.5156 99.9373 3.2184 53.0903 3.21977 88.2809 GPRESSURE: 983000 -197.689 -154.737 88.0404 27.7727 139.552 -48.3799 76.6254 15.8547 144.682 PRESSAVG: 983000 -40.5553 31.8191 39.9514 31.8191 46.7351 -32.2778 39.9514 -32.2779 11.6749 GPRESSAVG: 983000 -41.1911 30.3051 40.9389 33.194 46.7948 -33.5697 39.551 -31.9582 12.3781 TIMING: 983000 CPU: 2847.99, 0.0028849/step Wall: 2847.99, 0.0028849/step, 3.21906 hours remaining, 209.703125 MB of memory in use. ENERGY: 983000 732.9146 2092.6435 1969.0872 111.9885 -206583.5136 17889.8717 0.0000 0.0000 34276.2994 -149510.7086 299.3434 -183787.0080 -149415.4198 299.1641 -6.3585 28.8484 558418.8762 5.9516 5.9939 PRESSURE: 983200 -6.885 -4.74542 80.2318 -4.7453 -223.401 -42.0437 80.232 -42.0444 1.91265 GPRESSURE: 983200 88.6908 -52.2703 69.4647 -20.8049 -223.81 25.5772 31.4739 -65.5747 5.40793 PRESSAVG: 983200 -45.3447 -30.9774 -25.9707 -30.9774 14.066 10.6437 -25.9707 10.6436 15.3464 GPRESSAVG: 983200 -44.3629 -30.2269 -24.7533 -31.7096 14.0781 12.2905 -26.4659 9.50138 14.1941 TIMING: 983200 CPU: 2848.56, 0.00289094/step Wall: 2848.56, 0.00289094/step, 3.22565 hours remaining, 209.703125 MB of memory in use. ENERGY: 983200 751.1864 2066.3844 1924.6222 106.5097 -206212.2873 17632.6372 0.0000 0.0000 34190.6841 -149540.2633 298.5957 -183730.9474 -149447.1352 298.4782 -76.1243 -43.2369 557127.4173 -5.3108 -5.3636 PRESSURE: 983400 -69.947 37.9297 76.4281 37.9302 -119.506 -35.5268 76.4286 -35.5271 156.162 GPRESSURE: 983400 42.0403 50.6155 -16.0191 86.2731 -101.795 -11.3752 104.403 -89.4605 129.084 PRESSAVG: 983400 44.4368 38.8411 -21.042 38.8411 3.61677 28.4403 -21.0419 28.4404 -8.40843 GPRESSAVG: 983400 44.9565 38.4079 -21.3662 39.5715 2.87538 27.5534 -21.3133 29.7733 -8.03054 TIMING: 983400 CPU: 2849.14, 0.00288019/step Wall: 2849.14, 0.00288019/step, 3.2135 hours remaining, 209.703125 MB of memory in use. ENERGY: 983400 733.5466 2080.9654 1951.4136 114.9637 -206415.8195 17875.9805 0.0000 0.0000 34211.3375 -149447.6121 298.7761 -183658.9496 -149348.3384 298.2927 -11.0968 23.1100 557067.3418 13.2151 13.2671 PRESSURE: 983600 186.262 47.695 -3.44233 47.6943 -62.1988 136.385 -3.44277 136.386 -273.189 GPRESSURE: 983600 157.114 -30.4484 24.6743 107.047 21.7567 57.9174 -58.2786 72.1384 -244.672 PRESSAVG: 983600 71.1064 39.8537 20.669 39.8536 -92.2496 24.9377 20.669 24.9378 11.2854 GPRESSAVG: 983600 69.6411 40.7486 21.308 39.6899 -90.8933 24.5992 20.319 25.4442 12.0169 TIMING: 983600 CPU: 2849.72, 0.00288467/step Wall: 2849.72, 0.00288467/step, 3.21833 hours remaining, 209.703125 MB of memory in use. ENERGY: 983600 706.2287 2113.2344 1954.3102 114.5302 -206413.0908 17733.2631 0.0000 0.0000 34327.1135 -149464.4107 299.7872 -183791.5242 -149371.7975 298.6724 -49.7085 -21.9338 557890.3649 -3.2859 -3.0784 PRESSURE: 983800 44.7992 -94.0777 195.71 -94.0766 -85.4952 -25.4298 195.71 -25.4298 84.9958 GPRESSURE: 983800 82.7048 -53.221 132.918 -150.243 -19.4926 -26.2922 180.135 3.40964 83.6765 PRESSAVG: 983800 24.2239 -16.7091 -11.7112 -16.7091 31.356 64.0292 -11.7112 64.0291 -70.1412 GPRESSAVG: 983800 26.3316 -18.4139 -11.1984 -15.445 30.242 64.3971 -12.3675 64.1702 -70.8336 TIMING: 983800 CPU: 2850.29, 0.00286377/step Wall: 2850.29, 0.00286377/step, 3.19485 hours remaining, 209.703125 MB of memory in use. ENERGY: 983800 737.5954 2077.2773 1945.6925 109.3831 -206490.5853 17864.6788 0.0000 0.0000 34334.9996 -149420.9585 299.8561 -183755.9581 -149323.5320 298.3081 14.7666 48.9629 557226.3942 -4.8538 -4.7534 PRESSURE: 984000 -197.772 -49.5303 -112.32 -49.53 147.999 90.5703 -112.32 90.5717 -143.987 GPRESSURE: 984000 -111.855 2.93403 -45.0579 -66.6877 168.871 121.095 -94.5511 59.0649 -147.892 PRESSAVG: 984000 -73.1622 -15.9058 -54.1097 -15.9058 54.5201 53.2739 -54.1096 53.2739 22.1249 GPRESSAVG: 984000 -72.5358 -14.7939 -56.1194 -16.3359 55.1495 53.1121 -53.3451 52.5189 21.0599 TIMING: 984000 CPU: 2850.86, 0.00286011/step Wall: 2850.86, 0.00286011/step, 3.19061 hours remaining, 209.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 984000 791.6742 2067.0846 1946.7690 111.5260 -206245.3900 17801.3915 0.0000 0.0000 34273.3358 -149253.6090 299.3176 -183526.9448 -149157.0570 298.6371 -64.5867 -30.2918 556661.3707 1.1609 1.2245 PRESSURE: 984200 -195.994 112.995 -101.659 112.995 -101.562 -43.3783 -101.658 -43.3762 33.7703 GPRESSURE: 984200 -135.286 20.6262 -113.061 152.915 -116.253 57.2326 -100.828 -83.1331 70.062 PRESSAVG: 984200 -49.3703 -5.64509 -42.8457 -5.64518 36.6686 13.1868 -42.8456 13.1868 7.05884 GPRESSAVG: 984200 -50.8894 -2.9977 -41.0029 -6.64454 36.4481 12.5844 -43.4954 13.3695 8.61964 TIMING: 984200 CPU: 2851.44, 0.00286478/step Wall: 2851.44, 0.00286478/step, 3.19566 hours remaining, 209.703125 MB of memory in use. ENERGY: 984200 768.6635 2104.3936 1914.4108 136.8229 -206217.7965 17900.8435 0.0000 0.0000 34162.4636 -149230.1985 298.3493 -183392.6621 -149137.8720 299.3232 -87.9285 -60.4922 559654.5517 -1.8809 -1.9406 LDB: ============= START OF LOAD BALANCING ============== 2854.82 LDB: ============== END OF LOAD BALANCING =============== 2854.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2854.82 LDB: ============= START OF LOAD BALANCING ============== 2855.11 LDB: Largest compute 4820 load 0.025045 is 21.2% of average load 0.117987 LDB: Average compute 0.001703 is 1.4% of average load 0.117987 LDB: TIME 2855.11 LOAD: AVG 0.117987 MAX 0.185752 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.906 MB LDB: TIME 2855.11 LOAD: AVG 0.117987 MAX 0.185752 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.906 MB LDB: TIME 2855.11 LOAD: AVG 0.117987 MAX 0.185752 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.906 MB LDB: ============== END OF LOAD BALANCING =============== 2855.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2855.12 PRESSURE: 984400 -115.336 9.65528 91.3006 9.65511 -164.684 63.7614 91.3009 63.7601 -325.929 GPRESSURE: 984400 -62.0457 71.4029 99.2936 -41.7366 -152.851 65.0853 46.2755 15.9583 -294.352 PRESSAVG: 984400 77.144 34.0749 -6.83885 34.075 -53.542 26.2593 -6.83881 26.2593 7.43257 GPRESSAVG: 984400 76.5927 32.158 -10.063 35.0474 -52.1026 25.4931 -4.37105 26.5962 6.96538 TIMING: 984400 CPU: 2852.02, 0.00292847/step Wall: 2852.02, 0.00292847/step, 3.26654 hours remaining, 208.230469 MB of memory in use. ENERGY: 984400 757.0735 2030.3986 1947.6397 106.7496 -206324.0260 17690.5710 0.0000 0.0000 34353.3580 -149438.2355 300.0164 -183791.5936 -149341.8381 299.3650 -201.9830 -169.7499 559224.9183 10.3449 10.4852 PRESSURE: 984600 24.3517 77.9517 193.437 77.9518 -21.5536 -230.829 193.437 -230.828 242.093 GPRESSURE: 984600 36.3485 0.86266 186.847 60.4929 40.3963 -216.162 236.914 -245.642 254.059 PRESSAVG: 984600 54.7901 39.2258 -7.86448 39.2258 -9.32628 -24.0787 -7.8644 -24.0788 -50.7353 GPRESSAVG: 984600 56.0493 40.3527 -4.54523 37.8923 -9.64875 -24.2686 -10.9133 -23.5594 -51.08 TIMING: 984600 CPU: 2852.6, 0.00288322/step Wall: 2852.6, 0.00288322/step, 3.21591 hours remaining, 208.488281 MB of memory in use. ENERGY: 984600 727.3239 2065.7656 1924.7604 117.0615 -206411.6555 17998.5504 0.0000 0.0000 34276.0354 -149302.1583 299.3411 -183578.1937 -149204.9618 299.4903 81.6303 110.2678 557976.2240 -1.7572 -1.5598 PRESSURE: 984800 -111.195 -89.0769 83.7444 -89.0768 -79.735 -117.385 83.7449 -117.387 -102.861 GPRESSURE: 984800 -65.8717 -66.4092 46.9759 -5.54855 -42.7777 -73.9846 64.3142 -72.4753 -99.3375 PRESSAVG: 984800 59.1686 -9.12581 40.4131 -9.12577 -42.8433 -33.3428 40.4131 -33.3429 -15.1568 GPRESSAVG: 984800 59.6328 -11.6587 40.0998 -8.22923 -44.2587 -32.4158 42.0584 -33.6877 -13.9883 TIMING: 984800 CPU: 2853.18, 0.0028979/step Wall: 2853.18, 0.0028979/step, 3.23213 hours remaining, 208.687500 MB of memory in use. ENERGY: 984800 792.4105 2062.8111 1954.0123 116.4272 -205831.9865 17615.6323 0.0000 0.0000 34186.4207 -149104.2724 298.5585 -183290.6931 -149007.6082 299.8637 -97.9305 -69.3290 558037.2286 0.3895 0.4619 PRESSURE: 985000 154.483 29.1101 42.4598 29.1087 100.817 -3.80115 42.4612 -3.80022 15.5019 GPRESSURE: 985000 196.815 38.2795 -58.3972 32.0267 98.6123 98.8719 72.8522 -60.8285 80.2803 PRESSAVG: 985000 83.4697 -27.407 27.4207 -27.407 7.70608 -42.0461 27.4208 -42.0461 -49.5605 GPRESSAVG: 985000 83.2604 -25.7842 27.5337 -28.3547 8.26301 -41.0277 27.2809 -42.8571 -49.9681 TIMING: 985000 CPU: 2853.76, 0.00290884/step Wall: 2853.76, 0.00290884/step, 3.24416 hours remaining, 208.699219 MB of memory in use. ENERGY: 985000 749.0240 2117.2897 1925.1423 124.9572 -206359.4598 17931.3950 0.0000 0.0000 34397.9540 -149113.6976 300.4059 -183511.6515 -149015.0425 299.2558 90.2672 125.2357 557162.2832 13.8718 13.8518 PRESSURE: 985200 207.057 -113.134 18.1011 -113.134 -180.429 38.4115 18.1018 38.4116 160.515 GPRESSURE: 985200 289.78 -50.6367 55.4984 -83.9657 -160.163 -78.4914 -37.3485 69.447 147.054 PRESSAVG: 985200 57.9588 -17.0302 -1.33149 -17.0303 56.3713 51.0472 -1.33141 51.0471 -116.38 GPRESSAVG: 985200 58.5581 -17.7765 -3.34069 -16.2962 56.9445 49.8048 -0.347302 50.6336 -117.704 TIMING: 985200 CPU: 2854.34, 0.00292364/step Wall: 2854.34, 0.00292364/step, 3.26051 hours remaining, 208.699219 MB of memory in use. ENERGY: 985200 750.7199 2118.3939 1937.7246 105.4091 -206658.2520 18058.0433 0.0000 0.0000 34512.7888 -149175.1725 301.4088 -183687.9613 -149080.9032 299.5192 62.3810 92.2233 556849.0372 -0.6833 -0.7337 PRESSURE: 985400 -82.1661 -106.257 -143.063 -106.257 46.3472 11.4979 -143.062 11.4975 -87.3818 GPRESSURE: 985400 -19.1612 -59.9484 -58.5133 -109.623 86.7362 110.821 -218.826 -4.0192 -95.0403 PRESSAVG: 985400 24.3732 -30.2286 -8.97279 -30.2287 15.3048 -3.31077 -8.97283 -3.31064 -21.8985 GPRESSAVG: 985400 23.292 -30.6771 -6.78655 -29.6323 14.5702 -2.04998 -10.0865 -2.36089 -19.8175 TIMING: 985400 CPU: 2854.92, 0.00289402/step Wall: 2854.92, 0.00289402/step, 3.22731 hours remaining, 208.699219 MB of memory in use. ENERGY: 985400 760.1555 2148.7989 1920.4875 116.8703 -206175.2818 17673.0515 0.0000 0.0000 34353.0132 -149202.9049 300.0134 -183555.9180 -149107.8264 299.1683 -41.0669 -9.1551 556772.2209 5.9265 6.0149 PRESSURE: 985600 -78.1972 116.535 69.6045 116.535 -68.463 -55.4215 69.6048 -55.4205 -49.5261 GPRESSURE: 985600 -33.7427 108.307 117.985 52.0492 -20.1593 -110.507 40.0752 -64.9234 -41.0586 PRESSAVG: 985600 -43.6352 -21.5527 -7.55997 -21.5526 56.8439 -1.18172 -7.55995 -1.18178 -27.9433 GPRESSAVG: 985600 -43.1807 -20.3087 -9.85321 -22.841 58.5685 -2.98234 -7.05089 -0.936822 -29.8472 TIMING: 985600 CPU: 2855.5, 0.0028887/step Wall: 2855.5, 0.0028887/step, 3.22122 hours remaining, 208.699219 MB of memory in use. ENERGY: 985600 726.2888 2114.0741 1927.0230 110.3609 -206267.1406 17851.7935 0.0000 0.0000 34164.6630 -149372.9374 298.3685 -183537.6003 -149274.3936 299.1835 -65.3954 -31.6535 557451.6987 -4.9115 -4.8198 PRESSURE: 985800 28.0428 -19.284 -99.1876 -19.2834 -68.6057 -29.2339 -99.1881 -29.2345 30.9705 GPRESSURE: 985800 21.518 41.909 -39.5375 11.0291 -55.0963 28.1457 -99.7846 -92.9801 123.866 PRESSAVG: 985800 17.2723 28.0143 -12.1954 28.0144 -49.0029 14.8739 -12.1953 14.8737 6.6763 GPRESSAVG: 985800 17.3634 27.8243 -10.8575 26.7818 -49.6838 16.0848 -13.7779 15.1373 7.11532 TIMING: 985800 CPU: 2856.08, 0.00289374/step Wall: 2856.08, 0.00289374/step, 3.22669 hours remaining, 208.699219 MB of memory in use. ENERGY: 985800 733.1734 2097.4845 1927.6113 112.7393 -206614.7878 17995.8934 0.0000 0.0000 34225.8918 -149521.9941 298.9032 -183747.8859 -149419.5804 298.2877 -3.1975 30.0959 558889.5452 -8.3515 -8.4017 PRESSURE: 986000 133.556 15.4754 122.72 15.4757 -55.2641 64.9904 122.721 64.9914 -129.635 GPRESSURE: 986000 151.332 62.8409 104.838 -43.0791 3.16644 64.0015 89.6098 93.5282 -106.81 PRESSAVG: 986000 76.1002 30.9496 17.28 30.9497 -61.9239 0.328209 17.2799 0.328156 -17.7188 GPRESSAVG: 986000 75.5683 31.0105 15.2128 31.8177 -63.0204 -1.6334 19.1418 -0.804723 -16.0602 TIMING: 986000 CPU: 2856.65, 0.00288088/step Wall: 2856.65, 0.00288087/step, 3.21218 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 986000 757.2147 2044.7715 1918.4188 105.1004 -206205.7414 17978.9499 0.0000 0.0000 34208.9089 -149192.3771 298.7549 -183401.2860 -149098.1054 298.0237 -17.1142 15.8960 558927.2368 -1.1808 -1.1708 PRESSURE: 986200 -14.0641 31.0766 14.4357 31.0775 317.647 -85.7705 14.4349 -85.7704 -12.2224 GPRESSURE: 986200 10.91 21.9292 99.4754 1.8406 342.412 -134.779 46.9435 -69.4265 29.0345 PRESSAVG: 986200 79.5999 -11.774 -12.3558 -11.7739 43.1369 -19.6779 -12.3558 -19.6779 -78.4028 GPRESSAVG: 986200 79.3524 -10.2945 -11.0045 -12.2608 43.9959 -15.756 -14.3082 -20.9096 -79.5243 TIMING: 986200 CPU: 2857.23, 0.00288522/step Wall: 2857.23, 0.00288522/step, 3.21686 hours remaining, 208.699219 MB of memory in use. ENERGY: 986200 731.2446 2124.0926 1948.6282 125.6543 -206330.7426 18050.2232 0.0000 0.0000 34077.6450 -149273.2546 297.6085 -183350.8997 -149177.7530 298.2817 97.1201 127.4523 557617.5848 14.7780 14.6080 PRESSURE: 986400 36.9656 122.474 -23.274 122.474 130.33 9.80175 -23.2738 9.80312 -163.885 GPRESSURE: 986400 45.4606 41.6538 -39.4155 158.638 141.674 11.8798 -13.1054 -19.2348 -99.4892 PRESSAVG: 986400 13.4369 -15.5975 -14.3395 -15.5976 2.13092 26.4704 -14.3395 26.4705 -10.5152 GPRESSAVG: 986400 13.89 -16.1667 -13.9843 -15.6713 1.90248 22.665 -13.5298 27.3779 -10.419 TIMING: 986400 CPU: 2857.81, 0.00289416/step Wall: 2857.81, 0.00289416/step, 3.22666 hours remaining, 208.699219 MB of memory in use. ENERGY: 986400 727.5104 2079.6582 1936.4005 123.3657 -206274.4804 17991.2815 0.0000 0.0000 34033.6127 -149382.6515 297.2240 -183416.2642 -149293.3511 298.4980 1.1370 29.2152 558733.8716 1.6842 1.7911 PRESSURE: 986600 361.972 -49.139 24.3389 -49.1392 -89.8795 34.352 24.3377 34.3521 136.372 GPRESSURE: 986600 428.88 -70.416 12.491 -29.22 -66.0636 -21.8685 44.7851 42.149 133.296 PRESSAVG: 986600 37.0986 -44.7596 45.8465 -44.7595 -26.5024 -35.7888 45.8464 -35.7887 -40.0491 GPRESSAVG: 986600 37.255 -46.4031 47.1573 -43.8768 -27.3746 -35.5092 44.0144 -35.5869 -39.3093 TIMING: 986600 CPU: 2858.39, 0.0028816/step Wall: 2858.39, 0.0028816/step, 3.2125 hours remaining, 208.699219 MB of memory in use. ENERGY: 986600 763.2209 2129.5464 1920.6424 116.1320 -206282.2396 17853.0589 0.0000 0.0000 34139.8619 -149359.7771 298.1519 -183499.6391 -149273.1097 298.3128 136.1548 165.3708 557449.1714 -9.8176 -9.8096 PRESSURE: 986800 -227.273 -68.2153 -83.5163 -68.2153 103.208 -44.8923 -83.517 -44.8933 154.286 GPRESSURE: 986800 -161.231 -5.57169 -79.2856 -100.038 155.627 -42.3317 -40.3564 -80.72 125.373 PRESSAVG: 986800 15.1077 10.9309 -37.8023 10.9309 -62.9552 10.4952 -37.8023 10.4952 22.6951 GPRESSAVG: 986800 15.3385 14.0058 -38.8784 9.63711 -62.0646 13.6212 -36.7571 10.1487 21.787 TIMING: 986800 CPU: 2858.96, 0.00288393/step Wall: 2858.96, 0.00288393/step, 3.21494 hours remaining, 208.699219 MB of memory in use. ENERGY: 986800 740.6321 2059.9555 1928.7827 122.1878 -206369.1240 17943.1928 0.0000 0.0000 34155.7029 -149418.6701 298.2902 -183574.3730 -149321.4501 298.0246 10.0735 39.9229 558067.7404 -8.3841 -8.3130 PRESSURE: 987000 -97.1857 -118.788 55.1249 -118.788 -147.285 79.3968 55.1248 79.3964 315.015 GPRESSURE: 987000 -97.2544 -65.893 9.92045 -133.016 -58.5722 51.7991 58.7593 163.628 320.602 PRESSAVG: 987000 -44.5861 -10.2076 -33.5412 -10.2076 49.1541 -20.4403 -33.5413 -20.4403 -0.692943 GPRESSAVG: 987000 -44.5485 -12.0871 -33.8628 -8.84784 49.5587 -22.1206 -34.1159 -19.3457 -1.73254 TIMING: 987000 CPU: 2859.54, 0.00286691/step Wall: 2859.54, 0.00286691/step, 3.19581 hours remaining, 208.699219 MB of memory in use. ENERGY: 987000 705.1954 2102.2119 1946.8466 112.5806 -206645.2442 17899.7171 0.0000 0.0000 34514.6661 -149364.0266 301.4252 -183878.6927 -149265.7123 299.1747 23.5149 54.9251 557070.6016 1.2917 1.0926 PRESSURE: 987200 107.986 -48.5484 88.2769 -48.5473 -39.0497 75.6663 88.2754 75.6677 420.781 GPRESSURE: 987200 115.298 -35.288 18.3663 -7.74521 3.24445 81.429 128.012 100.428 462.696 PRESSAVG: 987200 4.57791 -6.81712 12.3197 -6.81716 -36.459 35.6824 12.3197 35.6822 85.1403 GPRESSAVG: 987200 5.33365 -5.76704 11.935 -8.77162 -38.2505 36.6709 12.5302 35.9357 85.7068 TIMING: 987200 CPU: 2860.12, 0.00289395/step Wall: 2860.12, 0.00289395/step, 3.22579 hours remaining, 208.699219 MB of memory in use. ENERGY: 987200 713.1543 2151.9681 1934.9480 113.3363 -206587.1510 18018.7814 0.0000 0.0000 34324.7000 -149330.2629 299.7661 -183654.9629 -149234.4775 298.9197 163.2388 193.7459 557925.1304 17.7531 17.5966 PRESSURE: 987400 67.9124 203.891 -56.2116 203.89 141.379 -70.5536 -56.2116 -70.5538 -17.1713 GPRESSURE: 987400 125.599 158.554 -19.4283 122.72 183.385 -24.1062 -72.1333 26.9893 -18.9148 PRESSAVG: 987400 -56.2191 55.8298 4.40671 55.8298 40.917 2.23933 4.40671 2.23938 10.1144 GPRESSAVG: 987400 -58.0643 56.3445 6.96341 56.083 42.0195 2.75459 4.89852 0.896953 10.7948 TIMING: 987400 CPU: 2860.7, 0.00291849/step Wall: 2860.7, 0.00291848/step, 3.25298 hours remaining, 208.699219 MB of memory in use. ENERGY: 987400 689.8197 2162.3111 1936.8317 115.2603 -206141.6585 17863.8028 0.0000 0.0000 34195.3314 -149178.3014 298.6363 -183373.6328 -149082.2077 299.5239 64.0401 96.6897 558518.8436 -1.7292 -1.7500 PRESSURE: 987600 -253.666 -129.26 2.53345 -129.26 -63.7637 143.077 2.53296 143.076 -286.084 GPRESSURE: 987600 -202.608 -117.38 77.1154 -92.3112 -89.9221 74.6891 -53.9339 144.74 -221.016 PRESSAVG: 987600 -53.528 10.3156 48.6256 10.3156 72.9893 51.6344 48.6256 51.6344 22.2269 GPRESSAVG: 987600 -52.5361 9.05064 47.3671 11.8323 71.9429 51.0404 47.918 50.7847 21.8778 TIMING: 987600 CPU: 2861.28, 0.00291088/step Wall: 2861.28, 0.00291088/step, 3.24433 hours remaining, 208.699219 MB of memory in use. ENERGY: 987600 726.1460 2070.4119 1935.1968 113.8182 -205732.1237 17467.6930 0.0000 0.0000 34310.9812 -149107.8766 299.6463 -183418.8578 -149007.6758 299.3959 -201.1710 -171.1820 557895.8096 13.8961 13.7615 PRESSURE: 987800 23.0551 -211.319 -1.06056 -211.318 -214.374 140.32 -1.06122 140.32 -245.503 GPRESSURE: 987800 16.0886 -275.132 -91.0781 -115.531 -198.179 155.112 80.8955 110.304 -170.322 PRESSAVG: 987800 24.6419 -37.1867 -35.0979 -37.1867 23.3159 9.83545 -35.0978 9.83545 -6.79152 GPRESSAVG: 987800 25.2989 -37.5273 -34.5924 -36.3067 21.155 10.9395 -33.3241 9.29147 -5.38109 TIMING: 987800 CPU: 2861.86, 0.00290702/step Wall: 2861.86, 0.00290702/step, 3.23987 hours remaining, 208.699219 MB of memory in use. ENERGY: 987800 701.0317 2131.5476 1979.3226 106.8342 -205899.7597 17612.4365 0.0000 0.0000 34361.4693 -149007.1180 300.0873 -183368.5873 -148911.7831 299.4533 -145.6072 -117.4710 559050.0861 13.7221 13.6909 PRESSURE: 988000 -3.51368 23.5967 46.3949 23.5958 78.1797 -113.185 46.3958 -113.184 -65.724 GPRESSURE: 988000 42.415 100.147 143.529 11.3852 110.886 -43.1913 -33.6377 -62.5586 -52.3921 PRESSAVG: 988000 21.1613 -5.51821 -37.0821 -5.51832 34.2581 8.18983 -37.0821 8.18987 -48.5548 GPRESSAVG: 988000 20.0761 -4.03838 -36.908 -8.16376 36.7597 7.81712 -37.4992 8.93453 -49.1138 TIMING: 988000 CPU: 2862.45, 0.00292536/step Wall: 2862.45, 0.00292536/step, 3.26015 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 988000 744.1005 2146.6392 1939.1646 123.1905 -206137.6873 17808.0132 0.0000 0.0000 34429.8541 -148946.7252 300.6845 -183376.5792 -148849.7746 300.4285 2.9807 33.6362 557455.5989 2.2882 2.5740 PRESSURE: 988200 38.8356 -34.5988 -32.6744 -34.5994 -312.706 6.54287 -32.6733 6.54299 -103.687 GPRESSURE: 988200 27.9253 4.64797 -29.884 -64.4513 -238.529 42.2819 -101.746 -19.2533 -64.7908 PRESSAVG: 988200 72.0557 23.1065 20.235 23.1066 -40.1544 -0.406775 20.2351 -0.406864 11.9294 GPRESSAVG: 988200 72.6331 24.261 19.9504 23.5493 -39.7684 -0.250821 20.1047 -0.956292 10.6211 TIMING: 988200 CPU: 2863.03, 0.00290911/step Wall: 2863.03, 0.00290911/step, 3.24188 hours remaining, 208.699219 MB of memory in use. ENERGY: 988200 755.6466 2090.7396 1938.1773 110.1606 -205676.9330 17440.2812 0.0000 0.0000 34300.9345 -149040.9931 299.5586 -183341.9277 -148956.1140 299.6859 -125.8525 -91.7983 557998.8863 14.6102 14.4953 LDB: ============= START OF LOAD BALANCING ============== 2866.42 LDB: ============== END OF LOAD BALANCING =============== 2866.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2866.42 LDB: ============= START OF LOAD BALANCING ============== 2866.71 LDB: Largest compute 4820 load 0.025122 is 21.3% of average load 0.117998 LDB: Average compute 0.001712 is 1.5% of average load 0.117998 LDB: TIME 2866.72 LOAD: AVG 0.117998 MAX 0.18408 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 2866.72 LOAD: AVG 0.117998 MAX 0.18408 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: TIME 2866.72 LOAD: AVG 0.117998 MAX 0.18408 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: ============== END OF LOAD BALANCING =============== 2866.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2866.72 PRESSURE: 988400 -76.9092 75.9486 -77.0696 75.9492 -111.224 -90.0436 -77.0709 -90.0459 -45.818 GPRESSURE: 988400 -69.4768 14.5151 -3.95065 99.9367 -41.5272 -113.633 -120.836 -167.641 -45.2124 PRESSAVG: 988400 6.52949 3.08172 -28.97 3.08175 -42.2163 -9.76967 -28.9701 -9.76966 64.8601 GPRESSAVG: 988400 5.34477 1.31772 -30.221 3.34267 -42.3033 -9.52124 -29.8651 -10.0975 65.5932 TIMING: 988400 CPU: 2863.63, 0.00298427/step Wall: 2863.63, 0.00298427/step, 3.32547 hours remaining, 207.648438 MB of memory in use. ENERGY: 988400 727.3432 2060.4881 1938.0701 105.8435 -205726.1406 17616.5863 0.0000 0.0000 34239.7362 -149038.0732 299.0241 -183277.8095 -148938.4301 299.6877 -77.9837 -52.0721 558414.5024 9.7244 9.5449 PRESSURE: 988600 256.479 10.2121 -175.514 10.2119 -79.7982 257.14 -175.514 257.139 -227.42 GPRESSURE: 988600 266.877 3.70483 -132.75 -31.5171 -80.1014 268.951 -254.083 217.454 -143.631 PRESSAVG: 988600 50.1581 35.9711 -5.40936 35.971 -49.9903 -28.9512 -5.40929 -28.9512 26.0067 GPRESSAVG: 988600 51.5615 34.782 -5.38907 37.5342 -51.3611 -29.3699 -4.25358 -28.5068 26.12 TIMING: 988600 CPU: 2864.21, 0.00292145/step Wall: 2864.21, 0.00292145/step, 3.25531 hours remaining, 207.648438 MB of memory in use. ENERGY: 988600 761.0965 2041.0936 1914.9711 120.3402 -206076.8339 17806.4246 0.0000 0.0000 34371.1844 -149061.7233 300.1721 -183432.9078 -148973.9701 299.3291 -16.9129 14.3817 556330.7975 8.7248 8.7734 PRESSURE: 988800 102.233 -136.494 -45.8102 -136.494 -94.0468 -268.829 -45.811 -268.828 -99.3132 GPRESSURE: 988800 145.303 -243.897 -42.3566 -88.4447 -19.7652 -353.987 -53.815 -232.602 -115.479 PRESSAVG: 988800 55.0668 -21.3221 -25.804 -21.3222 -0.436273 31.9449 -25.8039 31.945 -83.3584 GPRESSAVG: 988800 54.3607 -20.3236 -26.7603 -20.9126 -0.605466 32.53 -25.7678 32.0326 -82.9234 TIMING: 988800 CPU: 2864.8, 0.0029319/step Wall: 2864.8, 0.0029319/step, 3.26679 hours remaining, 207.703125 MB of memory in use. ENERGY: 988800 742.3005 2094.6767 1924.2552 104.9941 -206047.4450 17725.2021 0.0000 0.0000 34440.2150 -149015.8015 300.7750 -183456.0165 -148920.0732 299.2148 -30.3757 3.3532 556795.5745 -9.5759 -9.7227 PRESSURE: 989000 -57.951 -36.4758 -76.6292 -36.4766 -9.47447 -120.308 -76.6295 -120.306 -111.903 GPRESSURE: 989000 -40.2297 -42.7993 -65.6055 36.47 44.5468 -108.563 -106.632 -67.9933 -91.7272 PRESSAVG: 989000 -9.76247 -2.95686 -6.69515 -2.95695 5.39435 -11.8113 -6.69517 -11.8113 9.52133 GPRESSAVG: 989000 -9.9438 -4.06474 -6.18206 -2.06826 6.63915 -14.4496 -6.22542 -10.1473 8.27176 TIMING: 989000 CPU: 2865.38, 0.00289818/step Wall: 2865.38, 0.00289818/step, 3.22906 hours remaining, 207.703125 MB of memory in use. ENERGY: 989000 741.2303 2118.7819 1942.1257 103.9646 -205984.4625 17569.5664 0.0000 0.0000 34397.5087 -149111.2848 300.4020 -183508.7936 -149011.4363 299.6941 -59.7760 -29.1367 557022.7204 1.7177 1.6557 PRESSURE: 989200 202.796 0.415932 112.132 0.41757 -60.3029 8.09345 112.131 8.09242 -4.2107 GPRESSURE: 989200 207.293 74.0067 102.061 -60.559 -68.1197 -3.26836 45.1037 35.4059 99.1674 PRESSAVG: 989200 32.8277 18.2517 -12.3443 18.2517 -13.3526 0.287441 -12.3443 0.28745 -3.70214 GPRESSAVG: 989200 33.1301 19.3366 -11.9492 17.5297 -12.099 2.75695 -11.5188 0.23973 -4.7889 TIMING: 989200 CPU: 2865.96, 0.00292232/step Wall: 2865.96, 0.00292232/step, 3.25579 hours remaining, 207.703125 MB of memory in use. ENERGY: 989200 703.4807 2131.0338 1950.9338 106.8599 -206028.5162 17719.7907 0.0000 0.0000 34336.8060 -149079.6113 299.8719 -183416.4174 -148984.2171 299.2174 46.0940 79.4469 557573.3383 5.2577 5.4141 PRESSURE: 989400 134.706 30.0105 71.5621 30.0101 -155.597 70.928 71.5609 70.928 149.584 GPRESSURE: 989400 171.617 14.976 71.5987 -7.56222 -162.018 102.066 107.386 79.2344 209.238 PRESSAVG: 989400 55.0691 0.367744 9.4976 0.367683 -34.276 66.4906 9.49762 66.4905 0.937879 GPRESSAVG: 989400 54.7443 -0.750627 9.44305 -0.613147 -36.6375 63.1714 8.38726 67.0417 2.74988 TIMING: 989400 CPU: 2866.55, 0.0029245/step Wall: 2866.55, 0.0029245/step, 3.25805 hours remaining, 207.703125 MB of memory in use. ENERGY: 989400 739.3099 2087.1459 1921.5396 129.4953 -206009.8974 17770.7317 0.0000 0.0000 34421.1277 -148940.5473 300.6083 -183361.6750 -148839.5020 300.0430 42.8977 72.9455 556611.9821 7.2437 6.9523 PRESSURE: 989600 -65.2396 16.4123 -118.753 16.4111 151.35 0.505801 -118.752 0.506087 -31.2791 GPRESSURE: 989600 -37.8279 29.7563 -241.731 43.1438 170.334 -102.49 -18.3569 14.8745 21.7834 PRESSAVG: 989600 40.7599 18.2541 -15.0306 18.254 -66.3943 16.9709 -15.0307 16.9708 66.2953 GPRESSAVG: 989600 40.9638 19.0147 -13.1138 19.9627 -65.658 18.8344 -17.188 16.0593 65.7217 TIMING: 989600 CPU: 2867.13, 0.00290538/step Wall: 2867.13, 0.00290538/step, 3.23659 hours remaining, 207.703125 MB of memory in use. ENERGY: 989600 761.5164 2153.4672 1923.0152 110.4958 -205962.4571 17666.1646 0.0000 0.0000 34482.0958 -148865.7021 301.1407 -183347.7979 -148778.5208 299.8429 18.2772 51.4298 557118.4997 13.5536 13.6758 PRESSURE: 989800 56.7868 30.2411 119.56 30.2429 -71.6245 88.2134 119.56 88.2146 58.7684 GPRESSURE: 989800 72.7022 -16.6375 207.869 120.744 8.8495 189.454 44.913 50.8348 42.4748 PRESSAVG: 989800 18.8253 78.4669 -1.95183 78.4669 -51.638 55.676 -1.95183 55.676 20.7435 GPRESSAVG: 989800 17.9177 78.8241 -3.56283 78.3862 -50.4495 56.5632 -1.34002 55.6685 20.3735 TIMING: 989800 CPU: 2867.71, 0.00289521/step Wall: 2867.71, 0.00289521/step, 3.22511 hours remaining, 207.703125 MB of memory in use. ENERGY: 989800 762.3020 2083.9746 1947.7954 123.4802 -205902.4788 17718.3734 0.0000 0.0000 34386.3191 -148880.2340 300.3043 -183266.5531 -148786.1794 300.0478 14.6435 41.3422 557243.8476 -4.0231 -4.0528 PRESSURE: 990000 -145.95 102.857 -118.508 102.856 -122.695 100.143 -118.507 100.144 -321.448 GPRESSURE: 990000 -135.175 47.188 -39.2762 68.2744 -60.3674 48.3082 -57.8652 111.852 -293.579 PRESSAVG: 990000 111.102 16.5294 -0.401198 16.5294 -67.3097 37.0704 -0.401244 37.0704 -55.5682 GPRESSAVG: 990000 111.66 15.1306 -0.275237 16.5432 -68.7951 38.3897 0.501083 36.0188 -54.7525 TIMING: 990000 CPU: 2868.29, 0.00289542/step Wall: 2868.29, 0.00289542/step, 3.22518 hours remaining, 207.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 990000 763.0594 2089.7293 1970.8285 114.6565 -205691.9541 17416.4836 0.0000 0.0000 34405.7037 -148931.4931 300.4736 -183337.1968 -148839.6999 300.6680 -196.6976 -163.0403 557945.4803 -3.9252 -3.9624 PRESSURE: 990200 19.2685 77.8428 46.7729 77.8435 -129.906 25.0369 46.7727 25.0367 -141.451 GPRESSURE: 990200 73.5849 57.4204 4.05644 113.971 -136.569 70.4719 48.9492 91.3557 -98.8055 PRESSAVG: 990200 -24.5479 55.2841 -37.115 55.2841 28.893 35.8224 -37.115 35.8224 -16.1119 GPRESSAVG: 990200 -24.4866 58.158 -36.5322 53.8254 28.7339 36.469 -35.4775 35.1251 -16.3557 TIMING: 990200 CPU: 2868.87, 0.00289544/step Wall: 2868.87, 0.00289544/step, 3.22503 hours remaining, 207.703125 MB of memory in use. ENERGY: 990200 738.6143 2100.4953 1935.8302 118.6830 -205821.6319 17595.4949 0.0000 0.0000 34400.5964 -148931.9178 300.4290 -183332.5142 -148830.5840 300.5630 -84.0297 -53.9300 557850.5189 -3.9223 -4.0361 PRESSURE: 990400 126.242 -129.585 -105.628 -129.585 -103.026 91.4197 -105.628 91.4187 -65.0642 GPRESSURE: 990400 137.161 -124.934 -103.862 -90.6673 -61.2861 152.232 -78.0978 33.444 -20.2419 PRESSAVG: 990400 33.7697 85.0501 -21.7655 85.0501 -56.4922 2.80193 -21.7654 2.80203 -7.96494 GPRESSAVG: 990400 32.2502 83.0777 -21.3719 84.7569 -55.8532 0.93759 -23.4017 3.61745 -6.41063 TIMING: 990400 CPU: 2869.44, 0.002897/step Wall: 2869.44, 0.002897/step, 3.22661 hours remaining, 207.703125 MB of memory in use. ENERGY: 990400 746.9306 2067.1668 1918.2682 107.4078 -206319.1705 17806.3196 0.0000 0.0000 34543.3580 -149129.7196 301.6757 -183673.0776 -149028.5898 300.1581 -13.9492 18.5442 556558.2647 -10.2291 -10.0046 PRESSURE: 990600 -172.365 3.35301 -75.033 3.35286 -181.517 -29.9454 -75.0337 -29.9468 -124.21 GPRESSURE: 990600 -135.276 -88.4303 -60.3707 47.493 -157.703 -37.844 -107.935 -54.0585 -88.9497 PRESSAVG: 990600 -13.8566 -18.2508 -29.5011 -18.2508 22.0379 13.8618 -29.5011 13.8619 21.3812 GPRESSAVG: 990600 -12.3009 -18.4642 -30.2714 -16.8636 22.3337 14.04 -28.0344 15.536 19.0691 TIMING: 990600 CPU: 2870.02, 0.00288696/step Wall: 2870.02, 0.00288696/step, 3.21527 hours remaining, 207.703125 MB of memory in use. ENERGY: 990600 763.3371 2100.9062 1935.0858 99.9873 -205737.1695 17467.4639 0.0000 0.0000 34264.1262 -149106.2630 299.2371 -183370.3892 -149010.6634 300.1115 -159.3639 -127.3094 556090.4875 9.8542 9.7006 PRESSURE: 990800 25.0799 25.1652 -10.0929 25.1655 -490.632 71.0068 -10.0941 71.0075 -220.294 GPRESSURE: 990800 44.9842 17.0505 2.29869 20.6471 -449.39 83.3004 -47.8817 75.6389 -190.02 PRESSAVG: 990800 -8.77966 -65.8678 -36.753 -65.8678 40.912 -9.10698 -36.7529 -9.107 -20.3229 GPRESSAVG: 990800 -8.57461 -66.9435 -36.3442 -66.7512 38.8508 -8.35816 -39.0865 -9.859 -18.5537 TIMING: 990800 CPU: 2870.6, 0.0029054/step Wall: 2870.6, 0.0029054/step, 3.23564 hours remaining, 207.703125 MB of memory in use. ENERGY: 990800 745.1688 2097.6666 1924.0237 115.1455 -205510.4427 17314.1983 0.0000 0.0000 34299.3533 -149014.8865 299.5448 -183314.2398 -148917.2723 299.2811 -228.6152 -198.1420 558112.8925 3.9365 3.9075 PRESSURE: 991000 -64.1734 -50.0143 73.2696 -50.016 -187.317 11.4592 73.2691 11.4604 -246.883 GPRESSURE: 991000 -38.96 -28.7661 113.299 -52.382 -187.029 12.3816 111.913 14.3166 -182.916 PRESSAVG: 991000 1.33027 -39.5378 -24.1788 -39.5377 38.2001 -36.682 -24.1789 -36.6819 21.003 GPRESSAVG: 991000 -0.0256599 -38.2362 -23.8079 -40.3877 39.702 -36.8491 -22.4029 -35.8797 20.6395 TIMING: 991000 CPU: 2871.18, 0.00290684/step Wall: 2871.18, 0.00290684/step, 3.23709 hours remaining, 207.703125 MB of memory in use. ENERGY: 991000 750.6495 2087.3040 1938.7960 111.2252 -205498.1893 17477.2151 0.0000 0.0000 34122.4805 -149010.5191 298.0001 -183132.9996 -148904.3200 299.0794 -166.1247 -136.3016 558453.6281 20.1778 20.1053 PRESSURE: 991200 -3.96186 151.639 33.3774 151.639 -242.212 102.986 33.3778 102.985 -17.8901 GPRESSURE: 991200 6.73155 124.643 86.0479 90.9174 -185.253 139.801 -3.90031 80.5794 8.39147 PRESSAVG: 991200 66.477 26.7766 35.8905 26.7767 -13.7162 -11.8183 35.8905 -11.8183 -27.4802 GPRESSAVG: 991200 66.5468 25.0501 34.9635 29.1656 -13.4845 -13.7846 34.3513 -11.9245 -27.8867 TIMING: 991200 CPU: 2871.77, 0.00290955/step Wall: 2871.77, 0.00290955/step, 3.23994 hours remaining, 207.703125 MB of memory in use. ENERGY: 991200 765.7564 2049.2854 1953.6548 117.4680 -205762.0665 17563.7860 0.0000 0.0000 34201.1098 -149111.0061 298.6868 -183312.1159 -149015.7951 299.0733 -88.0213 -56.7099 557839.4273 8.4269 8.3918 PRESSURE: 991400 47.6671 57.7889 37.6979 57.788 -30.3969 14.4341 37.6979 14.4328 -52.3262 GPRESSURE: 991400 106.438 80.5218 84.6319 -29.7581 -18.1647 0.882255 -54.4588 91.6815 -37.0338 PRESSAVG: 991400 15.9796 24.7197 42.2863 24.7197 -29.7304 17.8628 42.2863 17.8628 36.558 GPRESSAVG: 991400 16.5646 26.1691 43.6283 23.0251 -29.9338 20.2518 41.7761 17.3909 35.876 TIMING: 991400 CPU: 2872.35, 0.00290399/step Wall: 2872.35, 0.00290399/step, 3.23359 hours remaining, 207.703125 MB of memory in use. ENERGY: 991400 733.7325 2086.7573 1963.0981 116.0427 -206151.5480 17829.1232 0.0000 0.0000 34091.9903 -149330.8040 297.7338 -183422.7943 -149233.2634 298.7685 -11.6853 17.0799 558147.6126 7.6024 7.5023 PRESSURE: 991600 41.5354 -201.265 -25.7388 -201.266 -62.9554 -59.043 -25.738 -59.0423 -265.258 GPRESSURE: 991600 43.0604 -213.314 -68.2269 -59.9114 -18.0588 -81.0386 22.1963 -62.0787 -227.392 PRESSAVG: 991600 59.6141 -52.3149 67.7509 -52.3148 -46.0331 15.0611 67.7508 15.061 8.6973 GPRESSAVG: 991600 58.5507 -50.9019 65.7978 -52.2582 -45.5275 14.414 70.1571 15.7854 9.2608 TIMING: 991600 CPU: 2872.93, 0.00290294/step Wall: 2872.93, 0.00290294/step, 3.23227 hours remaining, 207.703125 MB of memory in use. ENERGY: 991600 746.6815 2077.1279 1939.3222 93.2817 -206263.5476 17779.0872 0.0000 0.0000 34156.8628 -149471.1843 298.3004 -183628.0471 -149373.5586 298.7948 -95.5593 -67.4634 557340.1212 7.4261 7.4280 PRESSURE: 991800 -137.874 -37.7073 66.2789 -37.7067 124.724 -77.4218 66.2787 -77.4229 -224.04 GPRESSURE: 991800 -88.1942 -69.2712 81.0034 -15.6962 143.864 -30.3503 58.1063 -70.2554 -195.374 PRESSAVG: 991800 43.7218 24.013 47.0388 24.013 -56.8712 24.7044 47.0389 24.7044 9.15498 GPRESSAVG: 991800 43.8599 20.5983 44.3206 25.1125 -56.5758 26.2112 47.4999 21.7167 9.14045 TIMING: 991800 CPU: 2873.5, 0.00287711/step Wall: 2873.5, 0.00287711/step, 3.20334 hours remaining, 207.703125 MB of memory in use. ENERGY: 991800 733.0146 2099.0204 1959.2492 122.0140 -206465.6276 17824.8675 0.0000 0.0000 34134.5459 -149592.9160 298.1055 -183727.4619 -149495.4620 297.6653 -79.0632 -46.5679 558346.1780 -1.3314 -1.1918 PRESSURE: 992000 -33.1592 19.1393 -12.9493 19.1412 231.077 86.633 -12.9492 86.6335 107.105 GPRESSURE: 992000 3.27559 94.8618 29.774 2.11008 222.544 61.6954 -86.6469 130.513 178.206 PRESSAVG: 992000 -43.1659 -28 1.80592 -27.9999 72.0788 -30.6262 1.80592 -30.6264 -12.2126 GPRESSAVG: 992000 -43.4263 -25.9625 5.8722 -29.2647 71.7672 -33.6509 -0.450336 -27.1102 -11.4483 TIMING: 992000 CPU: 2874.08, 0.00290664/step Wall: 2874.08, 0.00290664/step, 3.23606 hours remaining, 207.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 992000 702.7965 2125.5361 1969.7081 121.7172 -206691.1953 18104.9555 0.0000 0.0000 34062.7126 -149603.7693 297.4781 -183666.4819 -149502.5866 298.5896 101.6741 134.6753 556736.3505 5.5668 5.6309 PRESSURE: 992200 -324.581 6.73417 -65.5811 6.73434 -121.154 -208.744 -65.5814 -208.743 2.79082 GPRESSURE: 992200 -333.23 -36.0688 -91.9624 4.1158 -8.98579 -297.074 -44.2763 -167.469 -17.2751 PRESSAVG: 992200 -40.7412 1.15994 -7.64698 1.15999 -12.7239 -25.7976 -7.647 -25.7975 64.3273 GPRESSAVG: 992200 -40.4731 1.53489 -8.58146 0.757319 -13.5473 -24.9774 -7.18253 -26.8595 64.7939 TIMING: 992200 CPU: 2874.66, 0.00289566/step Wall: 2874.66, 0.00289566/step, 3.22368 hours remaining, 207.703125 MB of memory in use. ENERGY: 992200 750.5892 2087.6589 1945.3521 112.2716 -206127.6247 17772.4192 0.0000 0.0000 34084.1003 -149375.2333 297.6649 -183459.3336 -149280.2909 298.4935 -147.6481 -119.8302 558887.0860 3.6207 3.5912 LDB: ============= START OF LOAD BALANCING ============== 2878.05 LDB: ============== END OF LOAD BALANCING =============== 2878.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2878.05 LDB: ============= START OF LOAD BALANCING ============== 2878.34 LDB: Largest compute 4820 load 0.025737 is 21.8% of average load 0.118084 LDB: Average compute 0.001706 is 1.4% of average load 0.118084 LDB: TIME 2878.34 LOAD: AVG 0.118084 MAX 0.185428 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.168 MB LDB: TIME 2878.34 LOAD: AVG 0.118084 MAX 0.185428 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.168 MB LDB: TIME 2878.34 LOAD: AVG 0.118084 MAX 0.185428 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.168 MB LDB: ============== END OF LOAD BALANCING =============== 2878.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2878.35 PRESSURE: 992400 -88.1297 -82.8284 -29.7767 -82.8267 -92.906 -30.1171 -29.7766 -30.1174 -38.9004 GPRESSURE: 992400 -78.0909 -28.0505 67.2133 -156.03 -29.4135 46 18.9439 -40.3988 -31.6176 PRESSAVG: 992400 -42.8443 0.0346822 29.3741 0.0346756 8.59181 -36.1884 29.3741 -36.1884 17.8806 GPRESSAVG: 992400 -42.1164 -0.410013 28.662 0.779044 9.05297 -34.0816 29.7904 -37.3424 16.6691 TIMING: 992400 CPU: 2875.25, 0.00294631/step Wall: 2875.25, 0.00294631/step, 3.27989 hours remaining, 206.558594 MB of memory in use. ENERGY: 992400 737.9042 2075.5480 1932.8654 113.2025 -205882.2767 17662.4468 0.0000 0.0000 33935.4193 -149424.8904 296.3665 -183360.3097 -149328.8076 298.6720 -73.3120 -46.3740 558263.0899 -5.4573 -5.4648 PRESSURE: 992600 -32.7782 -128.252 65.8817 -128.253 196.412 23.7069 65.8826 23.7081 195.978 GPRESSURE: 992600 -18.2825 -110.314 -4.46798 -233.255 211.638 -18.855 99.6607 -1.67302 252.768 PRESSAVG: 992600 -63.5509 22.3142 48.2149 22.3142 17.309 -17.2839 48.2151 -17.284 56.3332 GPRESSAVG: 992600 -64.4231 22.3192 47.8381 20.9308 17.4128 -20.3596 48.3947 -14.9639 57.1097 TIMING: 992600 CPU: 2875.83, 0.00288932/step Wall: 2875.83, 0.00288932/step, 3.21629 hours remaining, 206.558594 MB of memory in use. ENERGY: 992600 723.9353 2133.6005 1952.1402 115.8181 -206240.7871 17935.4981 0.0000 0.0000 34127.9593 -149251.8356 298.0480 -183379.7949 -149158.6181 298.2455 119.8706 148.7078 556807.8554 3.3638 3.3665 PRESSURE: 992800 -5.44593 48.0553 -167.88 48.0547 -56.8866 -64.1129 -167.881 -64.1133 -109.368 GPRESSURE: 992800 51.6636 128.578 -185.927 -0.673904 -77.6912 -72.0136 -205.144 -34.2693 -44.2751 PRESSAVG: 992800 59.7935 -14.3407 -61.8975 -14.3408 -57.2108 -26.5244 -61.8974 -26.5243 7.59763 GPRESSAVG: 992800 59.6464 -14.6303 -60.6738 -13.2361 -57.1682 -24.5055 -62.2366 -27.7554 7.60411 TIMING: 992800 CPU: 2876.41, 0.0028946/step Wall: 2876.41, 0.0028946/step, 3.22201 hours remaining, 206.558594 MB of memory in use. ENERGY: 992800 723.2847 2088.4569 1951.6708 109.5052 -205924.8865 17670.6801 0.0000 0.0000 34047.0585 -149334.2302 297.3414 -183381.2888 -149243.4554 298.8679 -57.2334 -23.4342 557036.2775 3.3934 3.3608 PRESSURE: 993000 -181.12 153.785 -80.6467 153.785 43.4411 -99.2573 -80.6472 -99.2579 -79.5001 GPRESSURE: 993000 -162.574 138.074 -31.023 122.611 79.3802 -144.818 -82.689 -96.1007 -26.9399 PRESSAVG: 993000 0.115635 16.98 -54.6621 16.98 -25.772 14.4872 -54.6619 14.4871 45.3343 GPRESSAVG: 993000 0.0511461 16.0157 -54.573 17.5693 -24.4776 13.819 -56.9865 13.7398 44.1772 TIMING: 993000 CPU: 2876.99, 0.00290835/step Wall: 2876.99, 0.00290835/step, 3.23715 hours remaining, 206.558594 MB of memory in use. ENERGY: 993000 757.5735 2088.2006 1914.7627 116.1476 -205816.3070 17607.9123 0.0000 0.0000 34147.2583 -149184.4520 298.2165 -183331.7103 -149093.5285 298.5573 -72.3928 -36.7114 559064.3322 6.5593 6.5836 PRESSURE: 993200 75.9909 -59.0661 -99.8912 -59.067 -32.3548 112.004 -99.8902 112.003 -10.3502 GPRESSURE: 993200 108.382 -13.0873 -90.7189 -56.1413 -34.4646 87.5782 -118.132 66.8283 58.9479 PRESSAVG: 993200 -35.5467 38.5551 -32.284 38.5551 -23.2438 15.6372 -32.284 15.637 34.6927 GPRESSAVG: 993200 -36.684 39.8962 -32.873 37.2199 -23.3169 16.7493 -31.1183 15.739 35.9462 TIMING: 993200 CPU: 2877.57, 0.00291321/step Wall: 2877.57, 0.00291321/step, 3.2424 hours remaining, 206.679688 MB of memory in use. ENERGY: 993200 771.7283 2102.7929 1960.0186 117.4352 -206557.2267 17847.6168 0.0000 0.0000 34447.6659 -149309.9690 300.8400 -183757.6349 -149215.6268 299.4409 11.0953 44.2885 556358.1458 -8.0326 -8.0182 PRESSURE: 993400 -76.3597 -115.186 -36.2947 -115.186 31.9422 17.4596 -36.295 17.4592 175.687 GPRESSURE: 993400 28.3691 -109.447 -72.9065 -55.3777 5.49373 74.9164 41.715 21.5836 197.86 PRESSAVG: 993400 -34.6361 -39.0244 -43.7159 -39.0243 -3.72031 63.8634 -43.7159 63.8634 44.0575 GPRESSAVG: 993400 -32.1453 -39.193 -44.9773 -37.1755 -5.40777 63.4181 -42.3189 63.9925 43.6119 TIMING: 993400 CPU: 2878.15, 0.00289986/step Wall: 2878.15, 0.00289986/step, 3.22738 hours remaining, 206.679688 MB of memory in use. ENERGY: 993400 690.6851 2088.8345 1938.2110 111.7666 -206029.3010 17641.6000 0.0000 0.0000 34181.9127 -149376.2911 298.5191 -183558.2038 -149277.3907 299.4455 43.7566 77.2409 556848.6213 1.9004 2.0196 PRESSURE: 993600 112.808 7.43926 -71.9551 7.4385 120.357 115.699 -71.9556 115.701 -187.836 GPRESSURE: 993600 124.697 32.0163 -46.7087 34.5884 130.581 69.4539 -100.734 50.8064 -107.828 PRESSAVG: 993600 -25.4443 -10.3281 -7.83998 -10.3281 43.018 67.6226 -7.83995 67.6227 59.4511 GPRESSAVG: 993600 -26.6058 -10.6395 -6.94449 -9.54231 44.9759 66.5737 -7.71041 68.7337 59.2209 TIMING: 993600 CPU: 2878.73, 0.00288513/step Wall: 2878.73, 0.00288513/step, 3.21083 hours remaining, 206.679688 MB of memory in use. ENERGY: 993600 713.8679 2154.7853 1941.9619 108.8149 -206204.6700 17670.5326 0.0000 0.0000 34189.1283 -149425.5790 298.5822 -183614.7073 -149326.5948 299.4005 15.1094 49.1498 556868.5441 25.6749 25.8637 PRESSURE: 993800 81.3962 9.06523 -47.3404 9.0655 78.7401 -97.3603 -47.3396 -97.3603 227.181 GPRESSURE: 993800 165.757 49.9593 -42.8531 14.258 48.0655 -78.1779 -61.6917 -147.269 280.853 PRESSAVG: 993800 15.4594 31.5969 -6.07444 31.597 -42.2252 -27.4839 -6.07439 -27.4838 41.4913 GPRESSAVG: 993800 15.2472 33.1543 -7.1021 29.0938 -43.0462 -25.327 -5.65978 -28.1034 42.7198 TIMING: 993800 CPU: 2879.3, 0.00285588/step Wall: 2879.3, 0.00285589/step, 3.17812 hours remaining, 206.679688 MB of memory in use. ENERGY: 993800 746.2812 2096.2824 1934.3500 101.5705 -206758.8640 18045.9021 0.0000 0.0000 34128.2377 -149706.2401 298.0504 -183834.4778 -149608.1371 298.3302 129.1058 164.8921 555903.2654 4.9085 4.9736 PRESSURE: 994000 -102.261 55.7063 16.3752 55.7053 136.5 -144.491 16.3749 -144.492 245.899 GPRESSURE: 994000 -46.5284 -5.02225 86.5821 73.4836 118.125 -189.945 19.8804 -80.938 294.013 PRESSAVG: 994000 23.9692 -38.72 -16.3014 -38.7201 -65.2868 -62.7208 -16.3014 -62.7208 52.1071 GPRESSAVG: 994000 24.3378 -39.3095 -15.0368 -37.1509 -65.1375 -63.9877 -15.8637 -62.5892 50.9804 TIMING: 994000 CPU: 2879.87, 0.0028612/step Wall: 2879.87, 0.0028612/step, 3.18388 hours remaining, 206.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 994000 751.8775 2124.0650 1922.0056 116.0470 -206667.1725 17959.2019 0.0000 0.0000 34248.8296 -149545.1459 299.1035 -183793.9755 -149449.6474 297.6398 93.3789 121.8697 555563.9502 3.5965 3.3936 PRESSURE: 994200 -182.848 80.0416 97.6036 80.0411 -122.675 -173.288 97.6036 -173.287 -153.725 GPRESSURE: 994200 -127.308 82.6291 137.215 23.1657 -119.715 -215.342 68.0288 -225.529 -118.221 PRESSAVG: 994200 5.85311 -60.9123 7.95502 -60.9121 -13.2939 -18.1329 7.9549 -18.1329 36.5367 GPRESSAVG: 994200 5.91348 -63.0362 9.61478 -59.5319 -14.4277 -19.133 6.56736 -18.2357 37.3807 TIMING: 994200 CPU: 2880.45, 0.00287823/step Wall: 2880.45, 0.00287823/step, 3.20267 hours remaining, 206.679688 MB of memory in use. ENERGY: 994200 742.2183 2105.8516 1932.7864 125.9341 -205909.1272 17476.7404 0.0000 0.0000 34158.8449 -149366.7515 298.3177 -183525.5964 -149267.9761 298.3668 -153.0826 -121.7479 557871.4157 9.6986 9.6222 PRESSURE: 994400 -74.9528 -1.80323 -194.812 -1.80366 65.5198 -64.0382 -194.813 -64.0385 45.7836 GPRESSURE: 994400 -12.2207 27.0182 -98.3518 45.5046 86.5774 -91.0598 -285.999 -104.265 65.2363 PRESSAVG: 994400 7.49553 61.8346 7.07665 61.8345 -54.8273 -49.3145 7.07659 -49.3144 16.8387 GPRESSAVG: 994400 8.01615 61.4767 6.49777 61.408 -54.2591 -48.8587 4.42215 -50.2561 16.1221 TIMING: 994400 CPU: 2881.03, 0.00287952/step Wall: 2881.03, 0.00287952/step, 3.20394 hours remaining, 206.679688 MB of memory in use. ENERGY: 994400 783.2473 2058.8434 1953.7642 108.3224 -206554.9387 17947.3176 0.0000 0.0000 34421.1732 -149282.2707 300.6087 -183703.4438 -149186.4199 298.7198 12.1169 46.5310 556018.9567 -10.1643 -10.0403 PRESSURE: 994600 127.766 -31.7626 -87.0214 -31.7616 167.634 -96.4652 -87.0216 -96.4661 358.793 GPRESSURE: 994600 147.218 -42.0773 -137.72 -17.4684 148.475 -14.963 -109.967 -144.492 456.025 PRESSAVG: 994600 -86.1878 -29.7907 -33.175 -29.7906 1.09203 12.9164 -33.175 12.9163 39.7635 GPRESSAVG: 994600 -87.3441 -27.1085 -35.1011 -30.5018 2.25668 13.2406 -29.8498 12.5445 39.9812 TIMING: 994600 CPU: 2881.6, 0.0028768/step Wall: 2881.6, 0.0028768/step, 3.20076 hours remaining, 206.679688 MB of memory in use. ENERGY: 994600 723.9452 2118.1832 1926.8389 113.0849 -206440.8959 17975.6553 0.0000 0.0000 34353.9578 -149229.2305 300.0217 -183583.1883 -149131.7309 299.4249 218.0647 250.5725 555900.7264 -15.1108 -15.0354 PRESSURE: 994800 -194.777 29.9388 -30.6297 29.9393 86.266 -110.013 -30.6314 -110.014 -30.0512 GPRESSURE: 994800 -190.195 45.4256 -24.2789 -24.8485 133.631 -16.1218 -54.9124 -165.555 27.524 PRESSAVG: 994800 -12.5426 -68.9972 6.01459 -68.9972 -3.62698 30.288 6.01468 30.288 27.5116 GPRESSAVG: 994800 -12.1749 -69.359 7.73475 -69.9595 -4.34112 31.2424 4.29994 30.4265 27.3043 TIMING: 994800 CPU: 2882.18, 0.00287154/step Wall: 2882.18, 0.00287154/step, 3.19475 hours remaining, 206.679688 MB of memory in use. ENERGY: 994800 734.1868 2069.4668 1928.4824 108.9942 -205434.7241 17415.6241 0.0000 0.0000 34356.0884 -148821.8814 300.0403 -183177.9698 -148731.4832 300.3180 -46.1873 -9.6799 557003.6295 3.7807 3.5961 PRESSURE: 995000 57.2141 -126.644 136.784 -126.644 -128.793 -81.5054 136.784 -81.5048 -242.834 GPRESSURE: 995000 61.9946 -143.583 143.673 -134.557 -96.8975 -24.5258 159.601 -152.394 -195.585 PRESSAVG: 995000 -25.4454 -52.2238 9.27948 -52.2239 7.41013 -21.3829 9.27944 -21.3829 27.8501 GPRESSAVG: 995000 -25.3424 -51.0864 9.57289 -50.0581 7.41076 -23.2988 10.7124 -21.0786 27.9852 TIMING: 995000 CPU: 2882.75, 0.00289266/step Wall: 2882.75, 0.00289266/step, 3.21808 hours remaining, 206.679688 MB of memory in use. ENERGY: 995000 770.1095 2089.5981 1982.3571 121.3106 -206186.7904 17833.2675 0.0000 0.0000 34484.4270 -148905.7206 301.1611 -183390.1476 -148808.7466 299.8898 -104.8043 -76.8292 557992.7816 3.2716 3.3512 PRESSURE: 995200 155.912 -11.0433 -23.1633 -11.0435 146.986 156.188 -23.1651 156.19 266.989 GPRESSURE: 995200 248.678 0.942662 41.3372 7.76765 138.105 170.882 -44.0896 46.674 277.003 PRESSAVG: 995200 -40.6456 -6.79614 -20.2044 -6.79617 21.3419 -16.1682 -20.2043 -16.1682 43.0812 GPRESSAVG: 995200 -41.4461 -7.71128 -21.6334 -7.07406 22.0601 -17.1717 -20.0031 -14.8806 43.085 TIMING: 995200 CPU: 2883.34, 0.00291016/step Wall: 2883.34, 0.00291016/step, 3.23739 hours remaining, 206.679688 MB of memory in use. ENERGY: 995200 749.9588 2101.0791 1954.1993 113.1978 -206667.3566 18226.7658 0.0000 0.0000 34657.2313 -148864.9245 302.6702 -183522.1558 -148772.2422 300.5879 189.9625 221.2622 556646.4454 7.9258 7.8997 PRESSURE: 995400 23.7677 110.301 -140.779 110.3 147.241 102.372 -140.778 102.372 43.092 GPRESSURE: 995400 71.6036 45.8587 -56.462 66.6283 158.35 69.6351 -172.424 -18.6135 63.0238 PRESSAVG: 995400 -39.6726 19.6836 37.4287 19.6836 81.7178 17.4156 37.4287 17.4154 -40.8176 GPRESSAVG: 995400 -40.1303 18.0388 38.0658 20.7389 81.9509 17.1273 35.5835 18.3949 -41.3927 TIMING: 995400 CPU: 2883.92, 0.00290895/step Wall: 2883.92, 0.00290895/step, 3.23589 hours remaining, 206.679688 MB of memory in use. ENERGY: 995400 730.5986 2079.3927 1927.7020 109.0361 -206281.8228 18113.4370 0.0000 0.0000 34394.2634 -148927.3930 300.3737 -183321.6564 -148821.9343 300.7524 71.3669 97.6593 559133.4131 0.4092 0.1426 PRESSURE: 995600 -183.301 -169.221 134.128 -169.22 -184.942 26.3434 134.129 26.3435 -220.362 GPRESSURE: 995600 -177.311 -171.911 100.801 -127.968 -175.734 23.7183 202.944 13.3523 -139.518 PRESSAVG: 995600 4.26031 7.32446 37.3673 7.32441 14.5275 -11.9576 37.3674 -11.9577 -22.0421 GPRESSAVG: 995600 5.03822 6.94601 36.9092 6.94254 13.6188 -11.5885 39.6311 -12.6959 -20.8126 TIMING: 995600 CPU: 2884.5, 0.00289274/step Wall: 2884.5, 0.00289274/step, 3.21769 hours remaining, 206.679688 MB of memory in use. ENERGY: 995600 766.5401 2076.9818 1962.6945 123.0126 -205805.2349 17564.3460 0.0000 0.0000 34332.4554 -148979.2043 299.8339 -183311.6598 -148879.9469 299.3162 -196.2018 -164.1875 559151.8350 -1.0847 -0.7185 PRESSURE: 995800 8.80569 92.0744 -2.61519 92.075 53.6572 41.249 -2.61669 41.2489 -104.62 GPRESSURE: 995800 67.4318 141.769 31.7658 74.4659 34.3733 -52.6618 -20.9598 154.467 -45.5385 PRESSAVG: 995800 -27.4316 -3.04903 0.838353 -3.04901 20.6604 -57.3224 0.838363 -57.3224 -21.1418 GPRESSAVG: 995800 -26.8686 -1.69943 0.967184 -1.87615 20.3441 -57.3832 -0.33709 -56.6264 -21.5384 TIMING: 995800 CPU: 2885.08, 0.00290191/step Wall: 2885.08, 0.00290191/step, 3.22773 hours remaining, 206.679688 MB of memory in use. ENERGY: 995800 741.2547 2097.8668 1940.6109 118.0985 -205939.4867 17695.6132 0.0000 0.0000 34389.2345 -148956.8080 300.3297 -183346.0425 -148857.3326 299.7062 -14.0525 18.7555 557659.3967 -9.3043 -9.3543 PRESSURE: 996000 244.874 132.571 55.659 132.571 198.215 54.8283 55.658 54.8285 -63.2405 GPRESSURE: 996000 320.891 168.565 128.448 45.27 191.694 49.2709 3.4211 4.74057 -22.2764 PRESSAVG: 996000 -42.8705 4.31442 21.3488 4.31444 86.1188 17.3236 21.3489 17.3236 -1.61733 GPRESSAVG: 996000 -41.8674 5.02842 20.7401 3.107 85.9797 16.3919 20.2771 15.4896 -1.98402 TIMING: 996000 CPU: 2885.65, 0.00287825/step Wall: 2885.65, 0.00287825/step, 3.20125 hours remaining, 206.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 996000 733.8480 2071.3144 1946.6231 118.8876 -205715.7520 17797.3810 0.0000 0.0000 34210.2663 -148837.4315 298.7668 -183047.6978 -148742.4397 299.6679 126.6160 163.4363 557123.1672 13.8770 14.0428 PRESSURE: 996200 -242.821 191.338 131.901 191.337 -233.127 -138.4 131.899 -138.399 -197.772 GPRESSURE: 996200 -193.74 157.711 182.807 194.711 -188.653 -168.379 40.4612 -116.009 -193.144 PRESSAVG: 996200 -6.42435 -5.05065 -25.935 -5.05074 -4.55997 -6.20306 -25.935 -6.20315 20.7406 GPRESSAVG: 996200 -7.65669 -5.34976 -26.5472 -5.17639 -2.64711 -4.31908 -22.8303 -6.08048 20.0036 TIMING: 996200 CPU: 2886.23, 0.00286419/step Wall: 2886.23, 0.00286419/step, 3.18546 hours remaining, 206.679688 MB of memory in use. ENERGY: 996200 771.4951 2104.4360 1958.5318 117.6932 -205921.4555 17576.8533 0.0000 0.0000 34475.5086 -148916.9375 301.0832 -183392.4462 -148816.3428 300.4415 -224.5733 -191.8455 558229.8047 3.2521 3.2333 LDB: ============= START OF LOAD BALANCING ============== 2889.61 LDB: ============== END OF LOAD BALANCING =============== 2889.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2889.61 LDB: ============= START OF LOAD BALANCING ============== 2889.9 LDB: Largest compute 4820 load 0.026882 is 22.8% of average load 0.117972 LDB: Average compute 0.001711 is 1.5% of average load 0.117972 LDB: TIME 2889.9 LOAD: AVG 0.117972 MAX 0.185983 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.559 MB LDB: TIME 2889.9 LOAD: AVG 0.117972 MAX 0.185983 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: TIME 2889.9 LOAD: AVG 0.117972 MAX 0.185983 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: ============== END OF LOAD BALANCING =============== 2889.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2889.91 PRESSURE: 996400 -212.093 -47.3197 78.7926 -47.3188 -19.9291 -65.4643 78.7923 -65.4638 -379.092 GPRESSURE: 996400 -181.712 -60.0092 18.076 -6.77683 -3.97362 -34.6597 58.3418 -6.4108 -324.514 PRESSAVG: 996400 10.099 -38.1576 3.2875 -38.1575 4.8044 13.8386 3.28744 13.8386 -1.80156 GPRESSAVG: 996400 9.27137 -38.1995 3.78987 -37.9461 5.22799 13.0609 2.21656 13.5935 -1.42984 TIMING: 996400 CPU: 2886.81, 0.00294578/step Wall: 2886.81, 0.00294578/step, 3.27603 hours remaining, 208.359375 MB of memory in use. ENERGY: 996400 745.8579 2093.6796 1966.5064 113.9432 -205931.1074 17647.6925 0.0000 0.0000 34244.6130 -149118.8149 299.0667 -183363.4279 -149026.6312 299.8373 -203.7047 -170.0663 558918.0532 4.3673 4.3565 PRESSURE: 996600 -31.9223 -111.563 6.81531 -111.563 120.891 102.489 6.81671 102.486 -72.298 GPRESSURE: 996600 -0.286084 -155.972 16.3062 -74.4862 125.477 117.857 -83.4572 84 -23.3277 PRESSAVG: 996600 43.86 -62.2245 -14.7279 -62.2246 -21.0338 0.224003 -14.7278 0.223934 -13.3573 GPRESSAVG: 996600 44.7114 -61.3674 -14.5938 -62.1501 -21.6347 -1.68105 -14.9167 1.70304 -13.2792 TIMING: 996600 CPU: 2887.4, 0.00290626/step Wall: 2887.4, 0.00290626/step, 3.23192 hours remaining, 208.359375 MB of memory in use. ENERGY: 996600 754.0478 2139.3935 1926.0442 119.0940 -206131.6691 17816.4822 0.0000 0.0000 34245.7840 -149130.8233 299.0769 -183376.6073 -149040.6678 299.5810 5.5568 33.9542 556511.4074 3.1563 3.2659 PRESSURE: 996800 -208.405 35.2962 -59.2431 35.2959 -33.8369 5.43616 -59.2448 5.43547 41.3666 GPRESSURE: 996800 -177.073 27.4472 2.52491 69.8799 7.16851 -29.2055 -61.2222 -34.0747 76.5367 PRESSAVG: 996800 23.6525 49.4521 35.5341 49.452 -29.2401 2.9779 35.534 2.97799 16.0593 GPRESSAVG: 996800 24.0577 47.7454 36.1618 49.5502 -29.1814 4.58957 35.0047 0.602421 16.2395 TIMING: 996800 CPU: 2887.98, 0.00290305/step Wall: 2887.98, 0.00290305/step, 3.2282 hours remaining, 208.359375 MB of memory in use. ENERGY: 996800 760.9292 2072.5589 1947.9889 106.3590 -205736.0954 17652.4478 0.0000 0.0000 34241.8719 -148953.9397 299.0428 -183195.8116 -148859.6805 299.8421 -66.9584 -31.1226 558126.4491 3.4906 3.7053 PRESSURE: 997000 -60.9611 64.5449 -12.4397 64.544 93.7033 -50.3374 -12.4395 -50.337 272.288 GPRESSURE: 997000 5.18762 -6.7366 -59.3781 64.3985 84.5756 -124.704 -23.1641 -103.55 301.242 PRESSAVG: 997000 -13.845 70.7589 23.8243 70.7589 56.312 -46.5292 23.8242 -46.5293 -2.16554 GPRESSAVG: 997000 -14.099 72.1939 22.5558 69.7327 55.794 -45.8449 23.94 -47.1171 -1.6883 TIMING: 997000 CPU: 2888.56, 0.00289935/step Wall: 2888.56, 0.00289936/step, 3.22392 hours remaining, 208.359375 MB of memory in use. ENERGY: 997000 759.8972 2064.0142 1958.0026 106.9694 -206040.2142 17868.4566 0.0000 0.0000 34322.1092 -148960.7650 299.7435 -183282.8742 -148861.1491 300.0402 101.6766 130.3349 557812.8438 13.4338 13.3356 PRESSURE: 997200 21.7193 -153.079 170.788 -153.078 -107.853 80.6712 170.788 80.6717 20.5006 GPRESSURE: 997200 101.319 -212.536 175.801 -144.495 -92.715 89.7683 127.728 201.229 20.2989 PRESSAVG: 997200 10.6589 -18.0827 -20.1631 -18.0827 -16.6963 13.0376 -20.1632 13.0376 7.63581 GPRESSAVG: 997200 9.01855 -19.251 -19.7692 -16.4915 -16.0955 11.2604 -20.4284 15.2672 8.46889 TIMING: 997200 CPU: 2889.13, 0.00287326/step Wall: 2889.13, 0.00287326/step, 3.19475 hours remaining, 208.359375 MB of memory in use. ENERGY: 997200 732.4586 2122.7489 1924.7107 111.7855 -205620.9641 17598.5429 0.0000 0.0000 34095.1143 -149035.6032 297.7611 -183130.7176 -148944.7551 299.4007 -21.8776 9.6344 557229.5704 0.5328 0.4640 PRESSURE: 997400 -82.0007 59.4417 196.434 59.4402 -340.808 -73.3343 196.434 -73.3324 108.037 GPRESSURE: 997400 -23.8114 -6.19959 225.011 127.886 -311.437 -50.7937 222.185 -116.66 123.284 PRESSAVG: 997400 7.33076 -8.6685 61.1804 -8.66854 11.7243 18.8154 61.1805 18.8154 -20.9833 GPRESSAVG: 997400 8.27835 -7.50055 59.482 -11.4087 12.0376 20.2102 61.5035 18.0256 -22.445 TIMING: 997400 CPU: 2889.71, 0.00289284/step Wall: 2889.71, 0.00289284/step, 3.21635 hours remaining, 208.359375 MB of memory in use. ENERGY: 997400 749.1637 2110.8176 1933.8543 122.7416 -205680.2901 17560.3548 0.0000 0.0000 34282.2663 -148921.0917 299.3956 -183203.3580 -148827.0392 299.7267 -104.9239 -70.6548 558611.8580 -0.6427 -0.7097 PRESSURE: 997600 50.1048 110.732 10.5952 110.73 90.9651 -68.202 10.5947 -68.2013 -150.296 GPRESSURE: 997600 87.7837 70.1832 71.2396 120.642 152.902 -66.1445 -1.36723 -99.3147 -154.363 PRESSAVG: 997600 28.5834 39.6789 76.3209 39.6789 -16.9222 -16.8908 76.3209 -16.8909 11.7192 GPRESSAVG: 997600 29.2015 39.5622 80.2405 39.554 -17.8855 -17.4026 74.0743 -16.6079 11.6577 TIMING: 997600 CPU: 2890.29, 0.00289809/step Wall: 2890.29, 0.00289809/step, 3.22203 hours remaining, 208.359375 MB of memory in use. ENERGY: 997600 716.0306 2146.0185 1964.3047 104.2727 -205927.7472 17638.0434 0.0000 0.0000 34436.5465 -148922.5307 300.7429 -183359.0772 -148820.0387 299.4480 -3.0753 28.7742 557322.8317 7.7935 7.6579 PRESSURE: 997800 123.491 -2.59001 36.5983 -2.59052 125.951 -147.604 36.5984 -147.606 -123.854 GPRESSURE: 997800 170.119 -15.0603 17.3925 -11.2796 113.239 -177.105 132.852 -91.1162 -62.4327 PRESSAVG: 997800 19.4649 -7.29822 61.3411 -7.29824 29.639 -86.9978 61.341 -86.9978 -60.7181 GPRESSAVG: 997800 19.3958 -8.04229 58.4363 -6.94422 29.4585 -85.7059 63.4609 -88.5987 -60.8679 TIMING: 997800 CPU: 2890.87, 0.00289876/step Wall: 2890.87, 0.00289876/step, 3.22261 hours remaining, 208.359375 MB of memory in use. ENERGY: 997800 749.1960 2087.5442 1949.6093 110.6510 -206124.2128 17798.0731 0.0000 0.0000 34335.1739 -149093.9654 299.8576 -183429.1393 -149005.3424 300.1181 41.8625 73.6415 556557.7625 -3.8714 -4.0045 PRESSURE: 998000 75.9363 137.537 94.5989 137.534 0.263085 111.65 94.5989 111.649 77.5409 GPRESSURE: 998000 41.3552 106.568 39.0764 180.981 98.4821 109.394 186.456 76.0912 128.85 PRESSAVG: 998000 27.2119 32.1404 36.2073 32.1404 -4.66556 -41.8908 36.2074 -41.8908 -7.36596 GPRESSAVG: 998000 26.9736 31.5546 35.5374 33.1897 -4.88425 -44.5654 36.4237 -40.4559 -7.49346 TIMING: 998000 CPU: 2891.45, 0.00289874/step Wall: 2891.45, 0.00289874/step, 3.22243 hours remaining, 208.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 998000 765.9476 2155.3600 1924.1856 123.9207 -206760.6141 18037.7110 0.0000 0.0000 34472.6646 -149280.8246 301.0584 -183753.4892 -149189.6910 299.6370 51.2468 89.5624 555810.5982 5.0601 4.8653 PRESSURE: 998200 184.76 -17.3928 -33.7861 -17.3946 57.8981 145.366 -33.7854 145.367 -119.344 GPRESSURE: 998200 235.739 -53.3918 44.2545 -31.4386 53.2178 126.018 -143.867 147.073 -70.8206 PRESSAVG: 998200 25.9899 46.5636 -15.659 46.5637 29.9072 -18.1561 -15.6591 -18.156 -17.2145 GPRESSAVG: 998200 25.6358 46.1596 -13.4476 46.4918 30.0763 -18.3588 -14.9925 -17.0939 -17.1026 TIMING: 998200 CPU: 2892.03, 0.00291223/step Wall: 2892.03, 0.00291223/step, 3.23727 hours remaining, 208.359375 MB of memory in use. ENERGY: 998200 744.9355 2087.9797 1926.3058 133.1371 -206538.0311 17904.7462 0.0000 0.0000 34311.2322 -149429.6945 299.6485 -183740.9267 -149324.1144 298.7085 41.1048 72.7119 556685.1447 12.8942 12.8698 PRESSURE: 998400 24.3675 -17.0778 117.667 -17.0763 -4.10308 -98.0209 117.669 -98.021 -46.6475 GPRESSURE: 998400 92.0602 11.2658 129.533 -71.6076 -1.5417 -112.712 175.303 -127.294 -32.7227 PRESSAVG: 998400 -16.0454 5.74082 28.7211 5.74092 -11.7478 -18.5146 28.7211 -18.5146 -3.64737 GPRESSAVG: 998400 -16.1137 5.99144 27.2909 5.13941 -12.5658 -18.7565 28.9791 -20.1794 -3.6897 TIMING: 998400 CPU: 2892.61, 0.00290484/step Wall: 2892.61, 0.00290484/step, 3.22889 hours remaining, 208.359375 MB of memory in use. ENERGY: 998400 743.5098 2056.9138 1975.6804 115.8437 -206523.8054 17967.4949 0.0000 0.0000 34191.6971 -149472.6657 298.6046 -183664.3628 -149377.5708 298.6426 -8.7944 19.2653 558799.9793 -10.4802 -10.7897 PRESSURE: 998600 -194.166 48.6307 16.5057 48.631 -204.299 -49.2624 16.5057 -49.2623 -426.796 GPRESSURE: 998600 -156.047 101.809 -0.944139 78.4985 -202.079 -63.3364 14.568 -101.311 -374.066 PRESSAVG: 998600 -1.01335 23.779 70.0223 23.779 -4.78785 -7.08032 70.0224 -7.08031 21.1375 GPRESSAVG: 998600 -0.433568 26.1741 71.2705 23.9875 -4.8488 -6.23069 68.501 -6.24699 20.7231 TIMING: 998600 CPU: 2893.19, 0.00290292/step Wall: 2893.19, 0.00290292/step, 3.2266 hours remaining, 208.359375 MB of memory in use. ENERGY: 998600 768.9901 2114.1614 1942.9597 112.2679 -206281.7469 17665.1372 0.0000 0.0000 34421.6776 -149256.5529 300.6131 -183678.2305 -149152.1910 298.5570 -275.0869 -244.0640 559506.4712 5.1121 5.1469 PRESSURE: 998800 -229.44 -115.668 111.869 -115.669 219.002 -43.6184 111.868 -43.6187 -35.1661 GPRESSURE: 998800 -159.468 -113.646 -6.07205 -91.6773 205.595 -89.6555 210.623 -21.2943 5.59929 PRESSAVG: 998800 21.0866 57.9425 21.7985 57.9425 37.3869 -40.0196 21.7985 -40.0196 -48.7651 GPRESSAVG: 998800 19.7483 57.1286 21.5954 58.1235 37.5912 -40.1808 22.0333 -39.6815 -47.2057 TIMING: 998800 CPU: 2893.77, 0.00289081/step Wall: 2893.77, 0.00289082/step, 3.21298 hours remaining, 208.359375 MB of memory in use. ENERGY: 998800 759.0001 2121.9552 1957.5098 120.1014 -206141.9051 17735.5005 0.0000 0.0000 34253.3700 -149194.4680 299.1432 -183447.8381 -149104.4986 299.4755 -15.2015 17.2421 557758.8759 3.2362 3.3779 PRESSURE: 999000 60.271 73.6729 -123.826 73.6731 21.9177 -45.6882 -123.826 -45.6899 148.367 GPRESSURE: 999000 73.397 104.754 -187.168 41.4679 71.6192 6.18175 -47.2494 -87.0434 185.964 PRESSAVG: 999000 -23.298 3.47302 -39.763 3.47299 -12.5139 -44.0713 -39.763 -44.0712 28.3017 GPRESSAVG: 999000 -22.132 2.33154 -38.9764 3.67019 -12.4654 -44.8156 -41.6272 -43.3162 26.8568 TIMING: 999000 CPU: 2894.35, 0.00289701/step Wall: 2894.35, 0.00289701/step, 3.2197 hours remaining, 208.359375 MB of memory in use. ENERGY: 999000 738.6622 2115.4522 1957.2622 116.5834 -206017.1346 17718.7581 0.0000 0.0000 34228.1800 -149142.2365 298.9232 -183370.4165 -149047.5596 299.6005 76.8518 110.3267 556763.2700 -2.5034 -2.5802 PRESSURE: 999200 -7.24393 36.2603 27.6498 36.2612 -132.196 13.5375 27.65 13.5388 -87.3809 GPRESSURE: 999200 65.5665 41.1495 -13.981 -33.5959 -164.78 -113.387 73.4195 66.877 -29.6232 PRESSAVG: 999200 -10.356 27.9417 -42.8203 27.9416 -14.3307 -43.9604 -42.8202 -43.9604 14.2017 GPRESSAVG: 999200 -10.9839 29.5979 -43.7903 26.6227 -13.933 -45.1024 -39.8526 -43.4621 14.5606 TIMING: 999200 CPU: 2894.93, 0.00290766/step Wall: 2894.93, 0.00290766/step, 3.23137 hours remaining, 208.562500 MB of memory in use. ENERGY: 999200 743.1917 2099.0434 1934.9581 105.2793 -205905.5391 17643.7449 0.0000 0.0000 34097.8375 -149281.4842 297.7849 -183379.3217 -149176.9915 299.3496 -75.6071 -42.9456 557074.5465 -3.4950 -3.4521 PRESSURE: 999400 -28.7873 -54.6526 39.0069 -54.6523 -15.8325 -56.7426 39.0072 -56.743 -12.0927 GPRESSURE: 999400 -1.10086 -24.6707 6.6634 -85.6142 53.1897 -61.103 6.28736 -84.1684 -10.1791 PRESSAVG: 999400 -11.7027 -26.2944 -12.3348 -26.2945 -26.1185 -17.6685 -12.3347 -17.6685 28.697 GPRESSAVG: 999400 -10.6053 -26.0809 -12.6009 -26.0716 -26.8962 -18.0193 -12.9835 -16.7156 28.6521 TIMING: 999400 CPU: 2895.51, 0.00290062/step Wall: 2895.51, 0.00290062/step, 3.22339 hours remaining, 208.562500 MB of memory in use. ENERGY: 999400 749.0953 2161.6150 1944.9003 120.8593 -206062.9646 17806.5497 0.0000 0.0000 34047.2916 -149232.6534 297.3435 -183279.9450 -149140.4645 299.2886 -18.9042 13.9699 557649.7810 -3.0414 -2.9498 PRESSURE: 999600 52.4586 -106.641 -0.799722 -106.641 -244.741 38.1606 -0.799429 38.1616 26.7567 GPRESSURE: 999600 96.8485 5.11303 -1.86277 -73.0798 -285.305 78.5702 -62.7994 41.9924 108.388 PRESSAVG: 999600 -2.72873 -2.26762 15.2509 -2.26762 -29.647 13.1165 15.2508 13.1164 56.9305 GPRESSAVG: 999600 -3.5657 -2.94274 18.0119 -2.45214 -27.7659 15.2434 14.7887 10.1924 55.8313 TIMING: 999600 CPU: 2896.09, 0.00289136/step Wall: 2896.09, 0.00289136/step, 3.21294 hours remaining, 208.562500 MB of memory in use. ENERGY: 999600 787.1207 2081.7807 1935.0121 117.3197 -206359.4019 17859.0052 0.0000 0.0000 34201.2377 -149377.9259 298.6879 -183579.1636 -149275.9759 298.7964 -55.1752 -26.6894 558900.8225 8.1849 8.1666 PRESSURE: 999800 -145.373 242.442 -22.8045 242.441 119.117 -42.8359 -22.8043 -42.8364 -45.2877 GPRESSURE: 999800 -88.3138 265.697 -57.8961 263.046 156.943 -100.309 -6.94032 -33.3399 -54.679 PRESSAVG: 999800 -65.0264 21.4744 -10.6699 21.4744 -60.9775 8.55084 -10.6699 8.55057 105.219 GPRESSAVG: 999800 -64.8581 21.0267 -10.9928 21.2136 -61.4317 6.90775 -11.3586 10.061 105.521 TIMING: 999800 CPU: 2896.67, 0.00288422/step Wall: 2896.67, 0.00288422/step, 3.20485 hours remaining, 208.617188 MB of memory in use. ENERGY: 999800 770.2544 2052.4829 1947.5367 108.6076 -206230.3314 17840.3503 0.0000 0.0000 34207.5143 -149303.5850 298.7427 -183511.0993 -149211.2769 299.5107 -23.8478 4.6501 559792.6586 -6.9283 -6.9229 PRESSURE: 1000000 -150.236 -38.8763 -129.65 -38.8767 12.7413 -151.997 -129.651 -151.997 159.663 GPRESSURE: 1000000 -123.281 -5.46504 -130.246 -163.135 88.6959 -138.801 -147.024 -222.925 155.765 PRESSAVG: 1000000 -15.4429 24.6085 -42.8335 24.6085 -12.9911 -67.0642 -42.8335 -67.0641 13.3564 GPRESSAVG: 1000000 -16.3768 23.8437 -42.2882 24.1687 -13.2373 -68.2397 -41.7986 -66.362 13.8799 TIMING: 1000000 CPU: 2897.25, 0.00293104/step Wall: 2897.25, 0.00293104/step, 3.25671 hours remaining, 208.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1000000 805.6662 2080.9939 1964.5281 112.4976 -206351.3658 17851.7851 0.0000 0.0000 34306.3253 -149229.5696 299.6057 -183535.8949 -149126.2317 299.5268 7.3894 40.3932 557169.2495 -5.0259 -5.2447 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.010 seconds, 208.617 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 18.8125 52.4644 -54.1879 52.4647 -60.3164 -58.559 -54.187 -58.559 217.084 GPRESSURE: 1000200 53.4223 77.5902 -40.0717 -46.0143 -29.5033 -88.0921 -83.3476 -27.0764 251.853 PRESSAVG: 1000200 -39.1251 13.0789 -30.3827 13.0789 3.13379 -13.0393 -30.3828 -13.0393 -2.56316 GPRESSAVG: 1000200 -37.9639 14.2543 -32.8041 14.1555 2.0705 -11.2422 -29.3578 -13.5282 -2.74963 TIMING: 1000200 CPU: 2897.9, 0.00323042/step Wall: 2897.9, 0.00323042/step, 3.58918 hours remaining, 208.742188 MB of memory in use. ENERGY: 1000200 758.0077 2101.6030 1933.7975 106.2423 -206471.4521 17939.9542 0.0000 0.0000 34217.4042 -149414.4431 298.8291 -183631.8474 -149310.2850 299.2869 58.5266 91.9241 557986.6350 -12.8515 -12.8810 LDB: ============= START OF LOAD BALANCING ============== 2901.28 LDB: ============== END OF LOAD BALANCING =============== 2901.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2901.29 LDB: ============= START OF LOAD BALANCING ============== 2901.57 LDB: Largest compute 4820 load 0.026508 is 22.5% of average load 0.117938 LDB: Average compute 0.001710 is 1.4% of average load 0.117938 LDB: TIME 2901.58 LOAD: AVG 0.117938 MAX 0.185326 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.652 MB LDB: TIME 2901.58 LOAD: AVG 0.117938 MAX 0.185326 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.652 MB LDB: TIME 2901.58 LOAD: AVG 0.117938 MAX 0.185326 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2901.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2901.58 PRESSURE: 1000400 -102.853 116.812 -178.507 116.812 35.4853 51.6519 -178.506 51.6512 -12.1165 GPRESSURE: 1000400 -31.3526 170.329 -119.998 84.2824 -19.1333 47.54 -241.866 95.4279 63.4103 PRESSAVG: 1000400 -42.0659 71.3036 -5.64861 71.3036 32.356 -15.5825 -5.64865 -15.5825 38.8719 GPRESSAVG: 1000400 -42.6621 71.0064 -3.98941 71.9881 33.1391 -13.7685 -6.63418 -15.6077 38.5717 TIMING: 1000400 CPU: 2898.49, 0.00293583/step Wall: 2898.49, 0.00293583/step, 3.2617 hours remaining, 209.062500 MB of memory in use. ENERGY: 1000400 758.4662 2093.5715 1974.5236 123.9175 -206268.2111 17854.2592 0.0000 0.0000 34092.0283 -149371.4449 297.7342 -183463.4732 -149271.6056 298.9309 -26.4946 4.3081 557153.9880 9.7207 9.6829 PRESSURE: 1000600 49.5111 -33.8915 64.5635 -33.8919 -69.4081 102.583 64.5634 102.582 -244.769 GPRESSURE: 1000600 76.0059 -52.5552 213.08 -83.5088 -38.086 44.8829 -37.6848 127.704 -202.201 PRESSAVG: 1000600 -11.3553 -33.0552 -12.3071 -33.0551 10.1695 43.6596 -12.3071 43.6597 9.02228 GPRESSAVG: 1000600 -11.2501 -33.2992 -12.6126 -30.9883 10.3552 43.6394 -12.2048 41.7772 8.54786 TIMING: 1000600 CPU: 2899.07, 0.00290529/step Wall: 2899.07, 0.00290529/step, 3.22762 hours remaining, 209.132812 MB of memory in use. ENERGY: 1000600 740.6378 2100.1178 1958.7071 114.4367 -206058.2680 17628.4050 0.0000 0.0000 34178.5163 -149337.4473 298.4895 -183515.9636 -149237.9434 298.2550 -88.2221 -54.7603 558549.2583 2.6122 2.5510 PRESSURE: 1000800 -79.8243 -43.1688 -3.94687 -43.168 -102.757 -19.5208 -3.94741 -19.5224 -210.894 GPRESSURE: 1000800 -84.0901 0.098915 10.613 -52.4196 -80.7912 -40.6786 54.2391 11.4749 -124.977 PRESSAVG: 1000800 -8.55943 -26.8336 -37.8792 -26.8336 -8.51695 -7.4809 -37.8792 -7.48112 -50.4187 GPRESSAVG: 1000800 -6.85434 -26.8799 -38.814 -28.767 -8.9089 -8.0312 -36.4659 -6.4821 -51.7313 TIMING: 1000800 CPU: 2899.65, 0.00291022/step Wall: 2899.65, 0.00291022/step, 3.23293 hours remaining, 209.132812 MB of memory in use. ENERGY: 1000800 751.3302 2073.1077 1969.8544 119.5091 -206075.1851 17783.5678 0.0000 0.0000 34173.1884 -149204.6274 298.4430 -183377.8159 -149119.9185 298.7513 -131.1586 -96.6196 558283.1035 -22.4984 -22.4982 PRESSURE: 1001000 107.923 53.9753 -92.797 53.9736 -156.985 -137.18 -92.7966 -137.18 -56.6116 GPRESSURE: 1001000 131.997 108.739 -17.1797 26.2523 -96.9048 -99.0526 -92.9754 -155.334 -35.8266 PRESSAVG: 1001000 29.3005 46.9586 -28.4121 46.9587 -10.6453 13.5291 -28.4121 13.5291 -37.7164 GPRESSAVG: 1001000 26.9419 46.9575 -28.1997 48.372 -11.0475 14.493 -27.6618 14.2726 -35.125 TIMING: 1001000 CPU: 2900.23, 0.00289129/step Wall: 2900.23, 0.00289129/step, 3.21175 hours remaining, 209.132812 MB of memory in use. ENERGY: 1001000 746.8147 2170.1092 1969.9502 118.5158 -206167.7171 17835.1308 0.0000 0.0000 34206.9737 -149120.2228 298.7380 -183327.1965 -149022.3826 299.6264 -35.2245 -0.2447 558677.6339 -6.3537 -6.4102 PRESSURE: 1001200 67.7611 91.2228 -57.0975 91.2239 114.412 -133.184 -57.0984 -133.186 -2.07072 GPRESSURE: 1001200 122.267 64.769 -55.4911 115.697 187.952 -106.713 -39.5686 -254.682 -38.6381 PRESSAVG: 1001200 69.8072 -12.5974 -22.1868 -12.5972 -38.7974 -50.1607 -22.1868 -50.1607 4.92727 GPRESSAVG: 1001200 70.6364 -12.9928 -21.761 -13.1652 -37.792 -51.593 -24.7095 -50.5301 2.93346 TIMING: 1001200 CPU: 2900.8, 0.00288436/step Wall: 2900.8, 0.00288436/step, 3.20388 hours remaining, 209.132812 MB of memory in use. ENERGY: 1001200 747.2075 2088.1925 1965.2944 129.7808 -206689.1860 18048.5070 0.0000 0.0000 34473.1385 -149237.0654 301.0625 -183710.2039 -149140.6791 299.6329 60.0342 90.5269 557455.3502 11.9790 11.9259 PRESSURE: 1001400 218.597 24.2621 13.3525 24.2628 -174.861 132.178 13.3509 132.179 -72.937 GPRESSURE: 1001400 239.955 38.6977 85.2229 6.02145 -110.205 127.478 -119.573 44.2969 -64.8822 PRESSAVG: 1001400 65.5616 -18.1858 -48.2665 -18.1859 -52.6852 -82.8422 -48.2667 -82.8421 29.4924 GPRESSAVG: 1001400 65.9429 -16.9913 -49.8476 -18.2603 -53.3278 -84.9475 -45.9768 -81.8938 29.8859 TIMING: 1001400 CPU: 2901.38, 0.00289006/step Wall: 2901.38, 0.00289006/step, 3.21005 hours remaining, 209.132812 MB of memory in use. ENERGY: 1001400 715.3529 2101.7960 1944.9798 97.9713 -206138.6283 17824.7784 0.0000 0.0000 34132.9569 -149320.7931 298.0916 -183453.7500 -149225.7245 299.1074 -9.7338 21.6225 558599.2461 14.1229 14.1670 PRESSURE: 1001600 -234.677 1.47774 217.532 1.47855 269.408 19.5517 217.533 19.5515 7.55967 GPRESSURE: 1001600 -223.63 1.65029 193.197 -14.3046 245.106 13.7236 182.848 -10.8495 116.069 PRESSAVG: 1001600 12.3403 12.8875 -7.76097 12.8875 -26.2925 -34.1664 -7.76098 -34.1664 -14.4725 GPRESSAVG: 1001600 11.8981 13.6406 -8.42333 11.2897 -26.1635 -33.2393 -8.44794 -35.3406 -13.9904 TIMING: 1001600 CPU: 2901.96, 0.00290888/step Wall: 2901.96, 0.00290888/step, 3.2308 hours remaining, 209.132812 MB of memory in use. ENERGY: 1001600 730.5220 2090.0386 1958.6054 112.8922 -206303.8779 17963.8394 0.0000 0.0000 34146.9297 -149301.0506 298.2136 -183447.9803 -149208.9966 299.0251 14.0968 45.8482 558742.1904 -9.4749 -9.4186 PRESSURE: 1001800 83.7587 -16.8936 -172.35 -16.8931 -36.1629 -1.86979 -172.349 -1.86789 -35.6609 GPRESSURE: 1001800 142.454 53.9579 -172.427 -87.5788 -11.6068 43.9592 -199.819 -25.1154 -20.6369 PRESSAVG: 1001800 22.2397 -6.46428 22.4876 -6.46437 -3.36801 2.91111 22.4876 2.91109 -10.741 GPRESSAVG: 1001800 23.8166 -7.24897 24.2427 -5.91938 -3.40835 3.29394 22.8783 5.26292 -12.2817 TIMING: 1001800 CPU: 2902.54, 0.00289885/step Wall: 2902.54, 0.00289885/step, 3.2195 hours remaining, 209.132812 MB of memory in use. ENERGY: 1001800 755.7919 2132.7013 1965.2235 113.5933 -206639.7044 18159.4673 0.0000 0.0000 34204.2094 -149308.7177 298.7139 -183512.9271 -149214.0146 299.2327 3.9783 36.7369 560371.1645 2.7102 2.7088 PRESSURE: 1002000 -261.717 -75.3339 -60.7541 -75.3328 52.349 142.509 -60.7549 142.509 -54.3707 GPRESSURE: 1002000 -246.243 -48.9221 -50.379 -44.0872 87.1634 180.942 -108.242 63.2893 -8.24116 PRESSAVG: 1002000 -30.4194 -26.3251 10.5228 -26.3251 89.5719 -27.7129 10.5229 -27.7127 -69.0656 GPRESSAVG: 1002000 -32.3457 -27.4249 8.84369 -25.5228 89.8102 -29.7516 10.8709 -26.5702 -67.7706 TIMING: 1002000 CPU: 2903.13, 0.00292031/step Wall: 2903.13, 0.00292031/step, 3.24317 hours remaining, 209.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1002000 747.2741 2128.8789 1940.0124 109.8970 -206213.3653 17902.3264 0.0000 0.0000 34167.5810 -149217.3956 298.3940 -183384.9766 -149118.0877 299.2016 -87.9129 -55.7735 559233.7249 -3.3043 -3.4354 PRESSURE: 1002200 -131.193 -55.2664 -73.1787 -55.2662 554.835 -78.3317 -73.1787 -78.3319 -65.9541 GPRESSURE: 1002200 -13.032 0.364981 -65.7166 -122.834 520.407 -17.5685 -99.3692 13.074 -56.6053 PRESSAVG: 1002200 -51.0471 -2.75099 -13.9884 -2.75099 104.131 -37.8294 -13.9884 -37.8295 -63.6123 GPRESSAVG: 1002200 -50.3652 -2.86253 -11.805 -2.31299 103.794 -35.8726 -14.9547 -40.8496 -63.8824 TIMING: 1002200 CPU: 2903.71, 0.00291885/step Wall: 2903.71, 0.00291885/step, 3.24139 hours remaining, 209.132812 MB of memory in use. ENERGY: 1002200 758.8211 2109.6310 1984.6217 118.7838 -206395.5840 18047.6256 0.0000 0.0000 34116.0542 -149260.0466 297.9440 -183376.1008 -149169.2276 298.6031 119.2291 150.2566 556212.4236 -3.5095 -3.4844 PRESSURE: 1002400 -82.1095 -96.8793 5.49669 -96.8785 -60.8407 10.984 5.49866 10.9857 212.54 GPRESSURE: 1002400 -103.447 -115.171 -34.5002 -29.5397 -37.4031 54.1502 20.3369 -14.4225 305.277 PRESSAVG: 1002400 26.2213 -52.4219 26.1495 -52.4218 10.9139 -14.9326 26.1496 -14.9325 -52.3752 GPRESSAVG: 1002400 25.4448 -51.0551 24.2724 -54.3156 11.6 -14.4373 27.3969 -15.5621 -51.9022 TIMING: 1002400 CPU: 2904.3, 0.00292489/step Wall: 2904.3, 0.00292489/step, 3.24793 hours remaining, 209.132812 MB of memory in use. ENERGY: 1002400 750.2710 2067.1515 1952.4889 116.7148 -206058.5026 17706.5670 0.0000 0.0000 34215.6929 -149249.6165 298.8142 -183465.3094 -149154.3825 299.2900 23.1966 54.8087 557156.0625 -5.0800 -4.9525 PRESSURE: 1002600 -17.3355 23.0404 48.0738 23.0414 117.245 -77.7573 48.0737 -77.7571 31.4653 GPRESSURE: 1002600 1.85423 -16.1425 76.6394 -30.8663 139.108 7.91032 48.1007 -158.276 94.9446 PRESSAVG: 1002600 85.1776 -35.3571 9.73298 -35.3572 -40.3248 -10.1474 9.73305 -10.1474 -27.1712 GPRESSAVG: 1002600 86.1408 -36.3687 11.0086 -34.2665 -41.3825 -11.2519 7.86065 -8.89165 -26.5883 TIMING: 1002600 CPU: 2904.89, 0.00294436/step Wall: 2904.89, 0.00294436/step, 3.26939 hours remaining, 209.132812 MB of memory in use. ENERGY: 1002600 736.1670 2116.5747 1947.9109 111.8970 -206583.7752 18046.9100 0.0000 0.0000 34383.4096 -149240.9060 300.2789 -183624.3156 -149149.3699 298.5938 43.7916 78.6355 556261.1856 5.8939 6.0567 PRESSURE: 1002800 146.525 -3.86263 -51.0804 -3.86414 16.2358 -12.2896 -51.0805 -12.2895 -406.228 GPRESSURE: 1002800 236.738 -43.199 -142.745 -25.1791 35.5502 -17.6468 -79.7127 -111.797 -405.659 PRESSAVG: 1002800 38.0851 -25.0483 51.1288 -25.0483 -19.692 -39.5958 51.1288 -39.5958 -54.3553 GPRESSAVG: 1002800 38.4516 -23.8622 52.0679 -26.9988 -19.244 -39.4786 50.6534 -40.3036 -55.4194 TIMING: 1002800 CPU: 2905.47, 0.00290412/step Wall: 2905.47, 0.00290412/step, 3.22454 hours remaining, 209.132812 MB of memory in use. ENERGY: 1002800 768.0827 2155.8379 1943.9842 106.2797 -206441.3673 17929.7922 0.0000 0.0000 34360.1280 -149177.2625 300.0755 -183537.3905 -149081.4692 299.0141 -81.1555 -44.4567 557741.8389 -11.9874 -12.0706 PRESSURE: 1003000 -191.659 11.4816 68.7032 11.4818 -28.0774 2.90873 68.7044 2.90911 9.62284 GPRESSURE: 1003000 -139.615 57.5281 49.8391 -43.6706 -68.3279 31.0131 6.97505 -20.0283 84.0782 PRESSAVG: 1003000 -39.9841 31.9764 -8.44207 31.9763 31.551 -54.6949 -8.44208 -54.6949 41.547 GPRESSAVG: 1003000 -39.8384 31.8301 -9.32991 32.8548 30.9283 -55.0298 -8.76877 -54.9548 41.7117 TIMING: 1003000 CPU: 2906.04, 0.00288418/step Wall: 2906.04, 0.00288418/step, 3.20224 hours remaining, 209.132812 MB of memory in use. ENERGY: 1003000 741.2511 2003.5829 1938.0686 103.7261 -205950.1834 17663.8582 0.0000 0.0000 34314.0960 -149185.6005 299.6735 -183499.6965 -149081.3603 299.4250 -70.0380 -41.2883 557643.7891 11.0380 10.9339 PRESSURE: 1003200 130.719 25.9438 -61.3316 25.944 -81.2052 -25.7875 -61.3304 -25.7862 57.9822 GPRESSURE: 1003200 167.602 101.765 -90.3805 13.4305 -41.8647 10.7716 -78.4324 -109.834 80.7463 PRESSAVG: 1003200 -19.0657 6.14812 8.06222 6.14816 2.62514 2.04918 8.06218 2.04927 14.7057 GPRESSAVG: 1003200 -19.5011 6.26471 7.51079 7.98011 3.29609 1.3349 8.14633 4.33572 14.2808 TIMING: 1003200 CPU: 2906.63, 0.00291017/step Wall: 2906.63, 0.00291017/step, 3.23093 hours remaining, 209.132812 MB of memory in use. ENERGY: 1003200 708.4125 2069.3813 1925.5648 113.0019 -205832.4055 17582.5996 0.0000 0.0000 34316.1179 -149117.3275 299.6912 -183433.4454 -149017.8854 299.7751 35.8318 68.8280 557249.2625 -0.5783 -0.6414 PRESSURE: 1003400 74.2438 225.778 193.092 225.778 5.14492 -141.984 193.092 -141.983 -164.051 GPRESSURE: 1003400 110.328 120.731 207.142 227.954 6.72031 -169.572 152.226 -84.9577 -94.0553 PRESSAVG: 1003400 2.81241 14.3285 55.6661 14.3286 42.8127 -23.3839 55.6661 -23.3839 -8.07618 GPRESSAVG: 1003400 2.7911 12.8527 55.7806 14.2625 43.9446 -23.913 56.6859 -25.6567 -8.9144 TIMING: 1003400 CPU: 2907.21, 0.00292566/step Wall: 2907.21, 0.00292566/step, 3.24797 hours remaining, 209.132812 MB of memory in use. ENERGY: 1003400 769.6675 2131.6921 1922.1990 124.6859 -206349.2474 17947.1371 0.0000 0.0000 34195.4346 -149258.4312 298.6372 -183453.8658 -149173.8283 299.2153 -28.2209 7.6644 558230.8585 12.5163 12.6071 PRESSURE: 1003600 -107.779 -128.585 5.9189 -128.586 100.596 -49.0144 5.91791 -49.0125 -91.9917 GPRESSURE: 1003600 -41.6034 -92.8992 -46.9665 -127.399 132.701 -15.59 120.014 57.7127 -98.6664 PRESSAVG: 1003600 -57.1756 43.5912 37.0315 43.5912 35.1396 -49.0827 37.0316 -49.0828 25.8951 GPRESSAVG: 1003600 -56.6958 46.1844 37.0771 43.7511 34.3737 -48.9502 36.0884 -46.3196 26.2213 TIMING: 1003600 CPU: 2907.8, 0.00294529/step Wall: 2907.8, 0.00294529/step, 3.2696 hours remaining, 209.132812 MB of memory in use. ENERGY: 1003600 745.7643 2123.5642 1934.4070 121.8795 -206300.4025 17699.4638 0.0000 0.0000 34336.6317 -149338.6921 299.8703 -183675.3237 -149245.0443 299.5508 -33.0583 -2.5229 556856.6355 1.2863 1.2997 PRESSURE: 1003800 -221.248 -40.8639 -3.82856 -40.8628 113.54 109.401 -3.82772 109.4 231.356 GPRESSURE: 1003800 -203.291 22.2127 63.6015 -63.0339 123.493 105.144 -61.2291 -4.91491 310.013 PRESSAVG: 1003800 -29.2387 15.0733 2.35641 15.0734 35.382 51.711 2.35636 51.711 -2.31508 GPRESSAVG: 1003800 -29.3845 12.5129 3.2797 15.3489 34.7914 54.1702 2.72366 48.0201 -1.78285 TIMING: 1003800 CPU: 2908.39, 0.00294411/step Wall: 2908.39, 0.00294411/step, 3.26813 hours remaining, 209.132812 MB of memory in use. ENERGY: 1003800 774.7102 2097.2946 1956.6424 107.2426 -206301.1456 17847.4328 0.0000 0.0000 34328.5074 -149189.3156 299.7994 -183517.8230 -149094.3075 298.2914 41.2162 76.7383 556542.9459 1.2761 1.2080 PRESSURE: 1004000 -26.2087 -167.498 -142.126 -167.497 146.42 -33.2265 -142.127 -33.2272 53.8632 GPRESSURE: 1004000 70.7378 -196.325 -86.2597 -167.119 146.607 -71.0474 -169.683 -37.7932 45.4484 PRESSAVG: 1004000 -18.3781 2.31182 -7.58484 2.31181 -4.54466 42.9986 -7.58485 42.9986 32.1641 GPRESSAVG: 1004000 -19.0379 2.60744 -7.73959 1.25998 -3.83802 38.952 -7.46175 44.6095 32.0761 TIMING: 1004000 CPU: 2908.97, 0.00289664/step Wall: 2908.97, 0.00289664/step, 3.21527 hours remaining, 209.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1004000 803.1510 2085.6020 1943.6992 113.7767 -206312.7337 17928.3612 0.0000 0.0000 34051.0132 -149387.1305 297.3760 -183438.1437 -149287.5430 298.6100 58.0248 87.5977 557941.2696 3.0804 3.0667 PRESSURE: 1004200 431.527 215.12 -176.638 215.121 30.013 3.17836 -176.638 3.1779 105.499 GPRESSURE: 1004200 416.555 174.828 -100.82 266.496 75.4341 57.0262 -170.48 1.06497 177.543 PRESSAVG: 1004200 -27.9755 32.3749 -60.6836 32.375 45.1544 -15.7509 -60.6837 -15.751 -8.74001 GPRESSAVG: 1004200 -27.6445 33.9862 -60.5247 30.9434 44.9012 -12.5915 -59.5852 -14.898 -8.50925 TIMING: 1004200 CPU: 2909.55, 0.00288951/step Wall: 2909.55, 0.00288951/step, 3.2072 hours remaining, 209.132812 MB of memory in use. ENERGY: 1004200 736.6132 2131.1935 1954.2968 125.2750 -206743.1049 18187.4053 0.0000 0.0000 34058.1595 -149550.1616 297.4384 -183608.3211 -149452.8828 298.0379 189.0128 223.1772 556625.9132 2.8130 2.9158 LDB: ============= START OF LOAD BALANCING ============== 2912.93 LDB: ============== END OF LOAD BALANCING =============== 2912.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2912.93 LDB: ============= START OF LOAD BALANCING ============== 2913.23 LDB: Largest compute 4820 load 0.025649 is 21.7% of average load 0.117962 LDB: Average compute 0.001706 is 1.4% of average load 0.117962 LDB: TIME 2913.23 LOAD: AVG 0.117962 MAX 0.185728 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.867 MB LDB: TIME 2913.23 LOAD: AVG 0.117962 MAX 0.185728 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.906 MB LDB: TIME 2913.23 LOAD: AVG 0.117962 MAX 0.185728 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.906 MB LDB: ============== END OF LOAD BALANCING =============== 2913.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2913.24 PRESSURE: 1004400 236.367 123.857 31.9132 123.857 -67.3341 65.701 31.9122 65.7012 38.7726 GPRESSURE: 1004400 233.753 180.064 17.9686 151.207 39.6034 181.039 16.3958 43.7805 48.6102 PRESSAVG: 1004400 27.2762 33.4776 3.79509 33.4777 -13.0301 5.02779 3.79519 5.02785 -8.53729 GPRESSAVG: 1004400 26.5808 32.131 2.37346 34.8783 -12.3609 4.48568 2.55765 6.10677 -8.95139 TIMING: 1004400 CPU: 2910.14, 0.00297599/step Wall: 2910.14, 0.00297599/step, 3.30302 hours remaining, 206.476562 MB of memory in use. ENERGY: 1004400 782.3451 2080.8130 1956.9058 111.3087 -206585.9460 18089.5980 0.0000 0.0000 34002.0929 -149562.8826 296.9487 -183564.9755 -149469.5444 297.3030 69.2684 107.3222 557102.6714 1.9030 1.7561 PRESSURE: 1004600 -270.405 92.3361 -55.93 92.3378 -326.539 -16.6966 -55.9295 -16.6956 -80.7 GPRESSURE: 1004600 -245.097 111.772 -47.9238 131.133 -286.583 33.0626 -39.9116 -97.69 -46.6022 PRESSAVG: 1004600 -43.2719 -28.8736 -11.1413 -28.8737 47.8708 -53.4203 -11.1412 -53.4204 7.1685 GPRESSAVG: 1004600 -41.9324 -26.2197 -11.8846 -28.9808 46.8767 -53.2357 -11.3411 -55.093 6.87638 TIMING: 1004600 CPU: 2910.73, 0.00294884/step Wall: 2910.73, 0.00294884/step, 3.27272 hours remaining, 206.476562 MB of memory in use. ENERGY: 1004600 810.1607 2044.5684 1934.9663 112.8336 -206136.0599 17528.4546 0.0000 0.0000 34130.1301 -149574.9462 298.0669 -183705.0763 -149487.0606 297.9947 -225.8814 -192.7606 559238.3636 3.9225 3.9402 PRESSURE: 1004800 -92.9031 113.994 52.211 113.994 -45.8767 -143.234 52.2115 -143.234 288.206 GPRESSURE: 1004800 -86.4358 158.602 -11.9522 104.341 20.1253 -131.567 37.8841 -114.804 299.158 PRESSAVG: 1004800 -47.7837 2.4054 -0.229258 2.40535 31.1149 16.1465 -0.229195 16.1466 -5.5004 GPRESSAVG: 1004800 -48.8632 0.288054 1.44854 4.72192 33.3284 16.0242 -3.55472 17.0413 -6.13993 TIMING: 1004800 CPU: 2911.32, 0.00294332/step Wall: 2911.32, 0.00294332/step, 3.26643 hours remaining, 206.714844 MB of memory in use. ENERGY: 1004800 731.8747 2138.8478 1933.9658 109.3111 -206645.3575 18016.1555 0.0000 0.0000 34032.7104 -149682.4921 297.2161 -183715.2025 -149592.1699 297.8785 49.8088 77.6160 559174.0673 -7.3897 -7.2249 PRESSURE: 1005000 80.5561 68.5816 -45.2041 68.581 -16.1288 -12.9046 -45.2041 -12.9038 -39.3782 GPRESSURE: 1005000 140.843 41.9535 -4.40768 80.2557 9.27998 30.7105 -21.7133 -72.8245 -28.5792 PRESSAVG: 1005000 97.5203 -27.5641 51.6202 -27.564 -23.2177 -59.6676 51.6202 -59.6676 -14.023 GPRESSAVG: 1005000 98.0257 -26.0609 53.1035 -28.8915 -24.6412 -57.856 53.1161 -63.8505 -13.6837 TIMING: 1005000 CPU: 2911.91, 0.00293687/step Wall: 2911.91, 0.00293687/step, 3.2591 hours remaining, 206.714844 MB of memory in use. ENERGY: 1005000 748.8729 2085.8917 1930.6225 108.7442 -206647.6575 17888.1061 0.0000 0.0000 34103.4873 -149781.9328 297.8342 -183885.4201 -149685.3038 297.6034 8.3497 40.5145 557967.3243 20.0932 19.9003 PRESSURE: 1005200 -310.206 -136.199 150.16 -136.199 -79.7915 33.0067 150.161 33.0051 -248.25 GPRESSURE: 1005200 -247.102 -136.218 230.403 -173.27 -89.1095 100.95 139.016 -14.1795 -211.138 PRESSAVG: 1005200 -25.4124 -16.6954 3.86536 -16.6953 15.6401 -2.97227 3.86544 -2.97237 26.6621 GPRESSAVG: 1005200 -25.056 -17.9603 1.64341 -17.8933 14.2545 -2.77458 6.67843 -0.129333 27.6659 TIMING: 1005200 CPU: 2912.49, 0.00291629/step Wall: 2912.49, 0.00291629/step, 3.23611 hours remaining, 206.714844 MB of memory in use. ENERGY: 1005200 766.4175 2109.5762 1941.8195 130.7273 -206526.1086 17672.0345 0.0000 0.0000 34047.9523 -149857.5813 297.3492 -183905.5336 -149771.1357 297.4023 -212.7491 -182.4496 558381.4505 5.6299 5.6215 PRESSURE: 1005400 114.878 -110.268 59.2144 -110.267 -70.1824 130.762 59.2141 130.761 150.205 GPRESSURE: 1005400 152.978 -52.5489 63.7139 -111.501 -82.1054 56.3502 49.2757 150.088 221.901 PRESSAVG: 1005400 26.4609 -4.07945 25.3286 -4.07953 -61.2028 -3.7763 25.3287 -3.77622 19.1727 GPRESSAVG: 1005400 27.3858 -3.11859 25.5226 -1.88035 -60.8479 -5.58667 23.1286 -3.41181 18.3437 TIMING: 1005400 CPU: 2913.07, 0.00288801/step Wall: 2913.07, 0.00288801/step, 3.20457 hours remaining, 206.714844 MB of memory in use. ENERGY: 1005400 730.5680 2134.2774 1959.8395 106.8986 -206662.0974 17967.2181 0.0000 0.0000 34078.9588 -149684.3369 297.6200 -183763.2957 -149587.4745 297.2244 64.9665 97.5912 558301.5085 -5.1898 -5.0395 PRESSURE: 1005600 210.044 62.8762 26.0883 62.875 -128.835 216.86 26.089 216.859 56.6664 GPRESSURE: 1005600 221.403 52.2458 57.6254 44.0688 -83.3208 155.156 93.6099 218.716 91.6062 PRESSAVG: 1005600 10.189 22.3044 22.924 22.3044 -11.9163 26.589 22.9241 26.5891 14.5203 GPRESSAVG: 1005600 9.78391 19.7538 24.0517 22.055 -11.888 25.5779 23.1588 26.8284 15.5321 TIMING: 1005600 CPU: 2913.65, 0.00291522/step Wall: 2913.65, 0.00291522/step, 3.2346 hours remaining, 206.714844 MB of memory in use. ENERGY: 1005600 730.5904 2104.5487 1960.2225 122.6967 -206595.5835 17973.0237 0.0000 0.0000 34147.4491 -149557.0524 298.2182 -183704.5015 -149462.3182 298.3396 45.9587 76.5629 557822.3588 4.2643 4.4760 PRESSURE: 1005800 -102.333 2.81324 -148.16 2.81309 77.2132 -64.4004 -148.16 -64.3999 -186.85 GPRESSURE: 1005800 -40.6779 -13.8829 -208.265 19.0842 107.203 59.3081 -173.168 -106.14 -180.412 PRESSAVG: 1005800 -11.7604 -19.836 45.638 -19.836 -16.3621 3.41765 45.638 3.41766 -10.3564 GPRESSAVG: 1005800 -12.0845 -16.4476 45.1592 -21.0307 -15.2416 3.66571 45.9017 5.40207 -10.7564 TIMING: 1005800 CPU: 2914.23, 0.00291033/step Wall: 2914.23, 0.00291033/step, 3.22902 hours remaining, 206.714844 MB of memory in use. ENERGY: 1005800 719.5306 2099.0068 1919.1387 109.0901 -206241.5622 17761.2231 0.0000 0.0000 34245.7354 -149387.8375 299.0765 -183633.5730 -149285.2515 298.7610 -70.6568 -37.9622 558342.7897 -12.8263 -12.6941 PRESSURE: 1006000 75.4194 35.8128 168.821 35.814 23.4568 36.5516 168.821 36.55 98.7133 GPRESSURE: 1006000 132.921 155.505 126.336 -0.833531 28.0343 24.3858 84.6888 113.922 140.815 PRESSAVG: 1006000 65.281 6.98998 15.6558 6.98996 -43.4477 2.23027 15.6559 2.23028 -4.36904 GPRESSAVG: 1006000 65.1144 4.82785 16.1755 7.6393 -43.921 4.20456 15.243 -0.0361126 -3.98975 TIMING: 1006000 CPU: 2914.82, 0.00294193/step Wall: 2914.82, 0.00294193/step, 3.2639 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1006000 786.6829 2111.2392 1937.3230 120.0768 -206688.1670 18128.6623 0.0000 0.0000 34232.1389 -149372.0439 298.9578 -183604.1829 -149276.0934 299.0948 65.8632 100.5901 557241.8309 5.8214 5.7346 PRESSURE: 1006200 -83.9689 -85.2104 187.558 -85.2118 207.597 -44.6802 187.558 -44.6801 146.192 GPRESSURE: 1006200 7.10799 -86.0462 83.0228 -141.54 181.883 -2.501 210.049 -82.548 179.559 PRESSAVG: 1006200 -14.421 -4.16169 1.99227 -4.16167 -38.1967 35.9019 1.99225 35.9018 51.8008 GPRESSAVG: 1006200 -14.2435 -3.62926 0.0725753 -6.05353 -38.5279 35.3094 3.98455 35.5244 51.4165 TIMING: 1006200 CPU: 2915.4, 0.00290767/step Wall: 2915.4, 0.00290767/step, 3.22573 hours remaining, 206.714844 MB of memory in use. ENERGY: 1006200 738.9434 2032.4810 1957.6068 118.3290 -206668.0527 18006.8114 0.0000 0.0000 34343.0043 -149470.8768 299.9260 -183813.8811 -149381.2733 298.8842 89.9398 122.8498 557943.0618 -0.2723 -0.4516 PRESSURE: 1006400 -78.6509 124.052 174.818 124.051 -240.657 1.9238 174.818 1.92278 107.173 GPRESSURE: 1006400 -14.7547 60.8531 232.603 152.192 -199.194 49.0714 60.7917 57.5966 104.127 PRESSAVG: 1006400 -85.4892 119.022 36.6242 119.022 7.84991 4.49435 36.6242 4.49442 82.1574 GPRESSAVG: 1006400 -85.5228 118.045 37.032 120.467 7.63105 4.311 33.2166 6.01293 81.9677 TIMING: 1006400 CPU: 2915.98, 0.00288117/step Wall: 2915.98, 0.00288117/step, 3.19618 hours remaining, 206.714844 MB of memory in use. ENERGY: 1006400 734.7727 2100.7326 1945.1026 115.0601 -205983.2807 17646.8945 0.0000 0.0000 34097.3583 -149343.3599 297.7807 -183440.7183 -149255.2100 298.2594 -70.7116 -36.6072 557934.3478 1.5060 1.3587 PRESSURE: 1006600 163.421 75.1267 95.7706 75.1271 -132.644 19.9058 95.7704 19.9047 -205.669 GPRESSURE: 1006600 114.57 12.752 6.62757 51.6587 -94.5971 7.91691 158.188 -12.8318 -104.846 PRESSAVG: 1006600 2.74713 23.083 39.8772 23.0829 22.4226 18.6594 39.8772 18.6594 -19.4274 GPRESSAVG: 1006600 1.75544 22.4642 39.8509 21.6913 21.8122 19.3183 40.8008 17.424 -17.8502 TIMING: 1006600 CPU: 2916.56, 0.00288591/step Wall: 2916.56, 0.00288591/step, 3.20127 hours remaining, 206.714844 MB of memory in use. ENERGY: 1006600 754.3197 2065.1636 1930.9093 118.4841 -206375.4916 17820.9720 0.0000 0.0000 34182.1408 -149503.5021 298.5211 -183685.6429 -149411.9120 298.9357 -58.2973 -28.2911 558633.5195 1.9141 1.9058 PRESSURE: 1006800 240.899 113.856 -35.0683 113.857 -51.2562 155.777 -35.0672 155.779 85.8869 GPRESSURE: 1006800 280.95 36.8022 -54.5087 41.6894 8.44316 219.704 -69.6541 203.855 82.954 PRESSAVG: 1006800 27.9648 52.8658 10.2994 52.8658 -26.3224 0.417334 10.2994 0.417207 -11.0847 GPRESSAVG: 1006800 28.636 53.2438 10.9813 55.1752 -26.9037 0.0962509 10.3732 -0.640367 -11.8649 TIMING: 1006800 CPU: 2917.13, 0.00287664/step Wall: 2917.13, 0.00287664/step, 3.19083 hours remaining, 206.714844 MB of memory in use. ENERGY: 1006800 730.7257 2094.0965 1938.7330 112.7637 -207017.0858 18174.4140 0.0000 0.0000 34301.2923 -149665.0607 299.5617 -183966.3530 -149565.9911 298.4751 91.8432 124.1156 557326.8219 -3.1474 -3.3775 PRESSURE: 1007000 192.363 -69.5723 -40.4611 -69.5738 -40.5836 6.07607 -40.4612 6.07746 -61.5238 GPRESSURE: 1007000 207.354 -68.9626 -90.4882 -92.7051 15.7194 -21.204 32.9107 11.7329 -40.6294 PRESSAVG: 1007000 83.9837 -7.9763 43.076 -7.97631 -37.2806 10.6855 43.0761 10.6855 -68.2398 GPRESSAVG: 1007000 83.319 -5.9749 43.6178 -8.53829 -35.9582 11.4409 42.2346 11.1352 -69.3266 TIMING: 1007000 CPU: 2917.71, 0.00289036/step Wall: 2917.71, 0.00289036/step, 3.20589 hours remaining, 206.714844 MB of memory in use. ENERGY: 1007000 756.8985 2039.3991 1978.1575 113.7928 -206886.3081 18208.7199 0.0000 0.0000 34033.7571 -149755.5831 297.2253 -183789.3402 -149660.8185 297.6502 30.0850 60.8145 557560.3353 -7.1789 -7.3219 PRESSURE: 1007200 304.926 -51.5606 56.5135 -51.5603 112.101 -17.729 56.5129 -17.7288 20.1265 GPRESSURE: 1007200 330.102 -83.6957 104.46 50.2647 91.8471 -61.315 18.7198 60.9801 111.403 PRESSAVG: 1007200 82.705 -27.4378 -9.28742 -27.4377 -100.45 -57.5663 -9.2874 -57.5664 23.0154 GPRESSAVG: 1007200 82.1579 -28.5035 -9.33877 -29.0001 -100.15 -58.5207 -8.73026 -57.0371 22.9945 TIMING: 1007200 CPU: 2918.29, 0.00290917/step Wall: 2918.29, 0.00290917/step, 3.2266 hours remaining, 206.714844 MB of memory in use. ENERGY: 1007200 745.3652 2098.6059 1937.1486 109.1887 -206920.3659 18191.1562 0.0000 0.0000 34225.6083 -149613.2931 298.9007 -183838.9014 -149519.0340 297.6784 145.7180 177.7840 556669.8782 1.7568 1.6676 PRESSURE: 1007400 -48.4133 -42.1004 78.3039 -42.1003 196.888 75.736 78.3061 75.7377 101.136 GPRESSURE: 1007400 -41.2392 -112.951 85.0719 19.7967 216.533 39.9019 1.65267 55.6469 163.267 PRESSAVG: 1007400 -14.1784 20.2566 37.3108 20.2565 22.342 18.5869 37.3108 18.5868 9.53131 GPRESSAVG: 1007400 -13.3491 19.1055 39.132 21.2913 21.9262 18.6672 35.3004 18.1188 8.87527 TIMING: 1007400 CPU: 2918.87, 0.00287576/step Wall: 2918.87, 0.00287576/step, 3.18938 hours remaining, 206.714844 MB of memory in use. ENERGY: 1007400 715.0672 2090.3401 1941.8283 125.6111 -206298.0555 17762.1042 0.0000 0.0000 34085.6904 -149577.4142 297.6788 -183663.1046 -149476.1839 297.2302 83.2037 112.8537 557448.8963 5.8983 5.8175 PRESSURE: 1007600 10.2485 39.7065 -48.2156 39.7078 144.368 28.1309 -48.2157 28.1308 344.67 GPRESSURE: 1007600 31.8079 -32.4555 -128.698 46.1669 200.422 -53.8349 69.0254 143.923 363.874 PRESSAVG: 1007600 -67.4486 -27.9042 -25.6509 -27.9042 -17.7928 -18.3445 -25.6509 -18.3444 127.333 GPRESSAVG: 1007600 -66.4195 -27.3772 -27.0763 -27.5556 -18.7582 -16.6456 -24.7585 -19.169 127.423 TIMING: 1007600 CPU: 2919.45, 0.00290219/step Wall: 2919.45, 0.00290218/step, 3.21852 hours remaining, 206.714844 MB of memory in use. ENERGY: 1007600 739.1929 2058.8695 1935.8504 118.3565 -206524.0168 18038.3871 0.0000 0.0000 34170.5206 -149462.8398 298.4197 -183633.3603 -149365.6302 297.5813 166.4291 198.7016 557126.9426 14.0304 14.0816 PRESSURE: 1007800 -171.674 -117.917 94.9196 -117.915 -234.469 198.7 94.9199 198.698 -312.836 GPRESSURE: 1007800 -130.772 -119.225 80.6969 -113.163 -214.612 177.588 121.631 162.43 -278.165 PRESSAVG: 1007800 22.6891 0.274541 -1.15535 0.274504 -43.5498 42.2449 -1.15542 42.2447 29.0326 GPRESSAVG: 1007800 22.4983 -0.125173 -1.14996 -0.837342 -43.6463 40.9756 -1.54076 42.2211 29.2777 TIMING: 1007800 CPU: 2920.03, 0.00290492/step Wall: 2920.03, 0.00290492/step, 3.2214 hours remaining, 206.714844 MB of memory in use. ENERGY: 1007800 749.4532 2095.3945 1960.7666 115.3802 -206140.5016 17643.9567 0.0000 0.0000 34090.8310 -149484.7195 297.7237 -183575.5505 -149388.6791 298.2379 -239.6594 -207.8497 558043.8058 2.7240 2.7099 PRESSURE: 1008000 -125.152 35.1736 -121.485 35.1737 -310.871 15.6261 -121.485 15.6274 165.676 GPRESSURE: 1008000 -83.4072 139.719 -106.597 -50.0158 -248.336 10.9996 -92.5043 111.633 160.182 PRESSAVG: 1008000 24.207 62.4948 -21.8949 62.4947 -40.7818 -6.4829 -21.8949 -6.48298 -13.3081 GPRESSAVG: 1008000 22.3887 63.562 -23.2156 61.9552 -38.356 -7.82628 -21.4716 -2.80773 -13.9915 TIMING: 1008000 CPU: 2920.61, 0.00292827/step Wall: 2920.61, 0.00292827/step, 3.24712 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1008000 758.9035 2077.5039 1939.9752 102.9358 -205752.7569 17609.0320 0.0000 0.0000 34094.4283 -149169.9782 297.7551 -183264.4065 -149071.4447 298.5931 -90.1157 -57.1871 557627.8039 -9.9610 -9.9863 PRESSURE: 1008200 -191.603 27.0355 -41.0243 27.0353 -302.008 173.825 -41.0241 173.826 -120.851 GPRESSURE: 1008200 -215.113 9.13195 -12.8246 -24.4741 -218.678 143.342 -68.2735 195.198 -86.7322 PRESSAVG: 1008200 -53.8222 -23.46 46.968 -23.46 35.8143 -9.45371 46.968 -9.45367 46.5 GPRESSAVG: 1008200 -53.3756 -24.5905 49.2471 -21.0501 35.448 -6.83737 47.0259 -11.041 46.5414 TIMING: 1008200 CPU: 2921.2, 0.00291191/step Wall: 2921.2, 0.00291191/step, 3.22882 hours remaining, 206.714844 MB of memory in use. ENERGY: 1008200 760.7440 2050.6180 1960.2206 118.6728 -205824.7770 17710.1548 0.0000 0.0000 34237.8631 -148986.5037 299.0078 -183224.3668 -148891.1006 299.0932 -204.8210 -173.5075 558809.8757 9.4973 9.5379 LDB: ============= START OF LOAD BALANCING ============== 2924.58 LDB: ============== END OF LOAD BALANCING =============== 2924.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2924.58 LDB: ============= START OF LOAD BALANCING ============== 2924.88 LDB: Largest compute 4820 load 0.024554 is 20.8% of average load 0.117883 LDB: Average compute 0.001709 is 1.4% of average load 0.117883 LDB: TIME 2924.88 LOAD: AVG 0.117883 MAX 0.18439 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.965 MB LDB: TIME 2924.88 LOAD: AVG 0.117883 MAX 0.18439 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.965 MB LDB: TIME 2924.88 LOAD: AVG 0.117883 MAX 0.18439 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.965 MB LDB: ============== END OF LOAD BALANCING =============== 2924.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2924.88 PRESSURE: 1008400 11.9802 51.2905 114.769 51.2901 48.1462 66.9625 114.769 66.9625 35.3482 GPRESSURE: 1008400 55.6441 55.4818 63.2092 53.9159 42.9263 7.26888 48.7065 155.868 87.1562 PRESSAVG: 1008400 -78.2036 -25.8036 0.638729 -25.8036 62.3038 6.08471 0.638698 6.08469 -16.2137 GPRESSAVG: 1008400 -77.4179 -25.3234 -0.667828 -26.3476 61.6581 4.15772 0.370329 5.80358 -15.9808 TIMING: 1008400 CPU: 2921.79, 0.00296331/step Wall: 2921.79, 0.00296331/step, 3.28566 hours remaining, 207.503906 MB of memory in use. ENERGY: 1008400 758.6001 2117.3059 1960.2290 118.7188 -205961.9796 17890.4831 0.0000 0.0000 34297.3614 -148819.2812 299.5274 -183116.6426 -148730.9112 300.4608 31.8249 61.9089 559521.9035 -10.7045 -10.5802 PRESSURE: 1008600 172.094 35.8642 -96.6382 35.8642 113.647 -19.1605 -96.6381 -19.16 -71.1828 GPRESSURE: 1008600 215.351 14.39 -52.8967 52.5372 197.783 -65.6804 -142.605 -0.424371 -102.786 PRESSAVG: 1008600 7.93287 36.7965 -16.9788 36.7965 83.1674 5.56343 -16.9788 5.56337 -59.9248 GPRESSAVG: 1008600 8.07425 37.8062 -17.1981 36.5197 83.3219 6.95648 -14.334 4.61112 -60.5516 TIMING: 1008600 CPU: 2922.37, 0.00291553/step Wall: 2922.37, 0.00291553/step, 3.23252 hours remaining, 207.503906 MB of memory in use. ENERGY: 1008600 745.5436 2051.6575 1995.6585 120.6339 -205857.1327 17914.5766 0.0000 0.0000 34161.5677 -148867.4948 298.3415 -183029.0625 -148769.6847 300.6838 71.5194 103.4492 558282.0319 10.3918 10.2815 PRESSURE: 1008800 11.5613 -38.9416 -168.215 -38.9431 -50.0635 106.259 -168.214 106.259 -42.4516 GPRESSURE: 1008800 46.0117 10.1975 -108.885 81.6154 -23.5342 154.165 -258.221 37.8741 -4.34578 PRESSAVG: 1008800 13.8484 -1.49187 -37.0916 -1.49186 39.819 22.5742 -37.0916 22.5742 -49.4567 GPRESSAVG: 1008800 13.6238 -0.759924 -35.6245 -1.28763 40.0534 24.8866 -39.9128 21.0147 -48.9407 TIMING: 1008800 CPU: 2922.96, 0.00292929/step Wall: 2922.96, 0.00292929/step, 3.2476 hours remaining, 207.503906 MB of memory in use. ENERGY: 1008800 702.9330 2039.6822 1952.6672 107.0811 -206006.7825 17774.2159 0.0000 0.0000 34443.6450 -148986.5580 300.8049 -183430.2030 -148882.5220 300.2511 -26.9846 6.0439 559076.5538 1.4036 1.5788 PRESSURE: 1009000 173.439 82.2242 -187.531 82.2242 -61.4328 -41.1 -187.529 -41.0993 -270.696 GPRESSURE: 1009000 224.114 36.1976 -102.179 52.9089 -26.5731 -17.2461 -206.843 -52.8191 -262.11 PRESSAVG: 1009000 3.68367 31.5745 11.3488 31.5746 39.7577 15.1763 11.3489 15.1765 -10.8088 GPRESSAVG: 1009000 3.4914 30.6489 10.1861 31.4239 39.4734 12.6387 12.4607 17.6864 -10.123 TIMING: 1009000 CPU: 2923.54, 0.0029176/step Wall: 2923.54, 0.0029176/step, 3.23448 hours remaining, 207.503906 MB of memory in use. ENERGY: 1009000 732.3771 2120.6291 1951.0299 127.8342 -206246.8784 17779.3277 0.0000 0.0000 34349.7431 -149185.9372 299.9849 -183535.6803 -149089.3040 299.9377 -52.8968 -21.5229 558673.9046 10.8775 10.9473 PRESSURE: 1009200 72.3724 133.176 -12.9739 133.176 -222.646 52.4362 -12.9751 52.438 -11.4854 GPRESSURE: 1009200 28.4785 173.924 -45.2043 139.848 -162.39 55.0161 -24.1084 50.5324 79.6271 PRESSAVG: 1009200 -6.05075 31.6434 -10.1085 31.6434 -22.4587 47.4206 -10.1084 47.4206 10.5496 GPRESSAVG: 1009200 -4.68843 32.2044 -9.02694 30.727 -22.7646 50.3819 -10.3099 45.1733 10.1367 TIMING: 1009200 CPU: 2924.12, 0.00291292/step Wall: 2924.12, 0.00291292/step, 3.22913 hours remaining, 207.503906 MB of memory in use. ENERGY: 1009200 733.5952 2040.1393 1935.4123 108.6336 -206429.2163 18012.2208 0.0000 0.0000 34135.4073 -149463.8078 298.1130 -183599.2151 -149372.1177 298.3037 -53.9198 -18.0949 557999.3436 -5.9866 -5.7721 PRESSURE: 1009400 105.746 -117.261 -124.941 -117.26 299.507 -26.8818 -124.939 -26.8812 128.395 GPRESSURE: 1009400 153.141 -244.607 -67.3271 -31.7472 329.925 -47.337 -118.884 -13.9897 144.227 PRESSAVG: 1009400 -27.282 40.3457 -27.988 40.3457 26.8621 46.7557 -27.9881 46.7557 16.4509 GPRESSAVG: 1009400 -29.2607 39.4948 -29.3191 41.6988 27.9268 43.6087 -25.6598 46.988 17.1917 TIMING: 1009400 CPU: 2924.71, 0.0029281/step Wall: 2924.71, 0.0029281/step, 3.2458 hours remaining, 207.503906 MB of memory in use. ENERGY: 1009400 759.1596 2064.4608 1939.2226 100.3831 -206516.1182 18012.8975 0.0000 0.0000 34081.2423 -149558.7524 297.6400 -183639.9946 -149464.6573 298.0461 177.8824 209.0975 555815.7373 5.3437 5.2859 PRESSURE: 1009600 -85.3714 -10.7358 114.397 -10.7353 -145.817 -98.9095 114.396 -98.9083 2.01075 GPRESSURE: 1009600 -119.422 0.683237 128.134 -91.4473 -70.746 -28.1926 71.4826 -215.995 60.6357 PRESSAVG: 1009600 -14.8021 1.71462 -20.4011 1.71457 -34.8619 -60.135 -20.4011 -60.1351 54.5895 GPRESSAVG: 1009600 -13.5788 3.27564 -19.8341 0.874155 -35.74 -60.2385 -22.7258 -60.0758 54.3915 TIMING: 1009600 CPU: 2925.29, 0.00292377/step Wall: 2925.29, 0.00292377/step, 3.24084 hours remaining, 207.574219 MB of memory in use. ENERGY: 1009600 742.2873 2074.6153 1941.6791 108.1146 -206121.3620 17623.2082 0.0000 0.0000 33998.0623 -149633.3952 296.9135 -183631.4575 -149535.6106 297.3992 -76.3927 -43.1775 556708.7247 1.6418 1.6909 PRESSURE: 1009800 -172.15 93.8138 54.5709 93.8144 -316.948 -75.1135 54.5706 -75.1129 -229.876 GPRESSURE: 1009800 -119.085 55.3454 20.1668 159.65 -306.817 -54.0985 86.1678 -98.3721 -181.898 PRESSAVG: 1009800 4.76059 -4.38502 45.0829 -4.38493 -107.166 -37.7919 45.0828 -37.7919 82.249 GPRESSAVG: 1009800 4.81146 -8.18986 43.5801 -2.50852 -106.595 -37.4444 45.2786 -36.0793 82.4425 TIMING: 1009800 CPU: 2925.88, 0.00293169/step Wall: 2925.88, 0.00293169/step, 3.24945 hours remaining, 207.574219 MB of memory in use. ENERGY: 1009800 763.6309 2093.8075 1973.1994 112.4924 -206099.3086 17442.6567 0.0000 0.0000 34113.4177 -149600.1040 297.9210 -183713.5217 -149505.2020 297.7476 -239.6580 -202.6000 556641.2677 -6.7187 -6.4469 PRESSURE: 1010000 -174.713 -38.6822 -105.048 -38.6821 -13.0632 180.913 -105.049 180.912 23.3238 GPRESSURE: 1010000 -185.733 -39.7793 -65.9916 -72.9377 22.0432 37.7714 -148.928 168.704 86.0681 PRESSAVG: 1010000 35.2791 -6.57178 45.8717 -6.57173 -54.7378 -27.9163 45.8718 -27.9163 37.1766 GPRESSAVG: 1010000 36.1167 -5.49934 45.9921 -7.22785 -55.648 -28.4994 46.9534 -29.6539 37.0965 TIMING: 1010000 CPU: 2926.46, 0.00289579/step Wall: 2926.46, 0.00289579/step, 3.2095 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1010000 711.8017 2062.9679 1954.0644 110.7743 -206240.0405 17764.3073 0.0000 0.0000 33989.3743 -149646.7504 296.8377 -183636.1248 -149550.5506 297.9134 -54.8174 -25.8738 556908.0006 5.9060 5.8551 PRESSURE: 1010200 193.793 -81.1026 70.8252 -81.1034 -70.7976 -23.2336 70.8255 -23.2343 -17.6802 GPRESSURE: 1010200 213.535 -29.9171 8.06266 -71.7827 -52.0057 4.52189 182.732 -109.645 27.3648 PRESSAVG: 1010200 -1.12837 -19.6479 -4.2387 -19.6479 7.09214 17.9201 -4.23873 17.9201 -24.2287 GPRESSAVG: 1010200 -1.92477 -18.708 -5.03087 -19.0645 8.22662 18.1867 -4.743 19.1789 -24.2672 TIMING: 1010200 CPU: 2927.04, 0.00288422/step Wall: 2927.04, 0.00288422/step, 3.19652 hours remaining, 207.574219 MB of memory in use. ENERGY: 1010200 772.4872 2072.0266 1960.2393 115.1542 -206736.1763 18099.9843 0.0000 0.0000 34151.4811 -149564.8037 298.2534 -183716.2849 -149471.3428 297.9283 35.1051 62.9648 557346.0622 -6.0883 -5.9884 PRESSURE: 1010400 21.781 -71.3699 -67.0863 -71.3696 -198.58 -8.1432 -67.0868 -8.13979 -8.411 GPRESSURE: 1010400 29.0262 29.0494 -91.0406 -118.369 -160.17 39.0947 -30.6455 17.3702 47.7092 PRESSAVG: 1010400 12.5261 -10.3605 -2.73596 -10.3604 8.5343 -7.27398 -2.73596 -7.27404 -9.77428 GPRESSAVG: 1010400 12.5534 -11.8351 -2.4591 -11.5787 8.27335 -4.83626 -0.537694 -8.5498 -8.81808 TIMING: 1010400 CPU: 2927.62, 0.00290172/step Wall: 2927.62, 0.00290172/step, 3.21575 hours remaining, 207.574219 MB of memory in use. ENERGY: 1010400 776.3708 2070.2411 1951.9658 108.7331 -206612.7643 17789.3202 0.0000 0.0000 34180.2039 -149735.9294 298.5042 -183916.1333 -149639.3067 298.3969 -61.7368 -27.8114 556244.3316 3.7620 4.0029 PRESSURE: 1010600 163.923 -121.01 177.455 -121.009 244.299 53.2983 177.454 53.2989 218.208 GPRESSURE: 1010600 211.214 -100.338 122.769 -207.703 254.246 129.358 222.252 41.5158 253.912 PRESSAVG: 1010600 -14.7213 3.82034 -35.7174 3.82037 -4.53469 29.2134 -35.7174 29.2134 30.8375 GPRESSAVG: 1010600 -13.702 5.25044 -34.266 3.43391 -4.62638 28.8424 -39.6956 29.3692 30.6537 TIMING: 1010600 CPU: 2928.19, 0.00288836/step Wall: 2928.19, 0.00288836/step, 3.20078 hours remaining, 207.574219 MB of memory in use. ENERGY: 1010600 737.6757 2076.3418 1948.2022 114.4839 -206756.8594 18136.0965 0.0000 0.0000 33863.6817 -149880.3776 295.7400 -183744.0593 -149799.3768 297.6141 208.8102 239.7906 556587.3452 3.8605 4.1085 PRESSURE: 1010800 -213.512 93.6538 -139.977 93.653 -49.7523 37.9481 -139.977 37.9493 -64.1218 GPRESSURE: 1010800 -146.282 94.1882 -207.29 98.7141 -34.4265 49.3454 -45.5676 45.7214 -53.8015 PRESSAVG: 1010800 -40.1195 -38.1444 -23.0769 -38.1443 -48.3354 38.0292 -23.0768 38.0292 45.3563 GPRESSAVG: 1010800 -39.5673 -38.7006 -24.2662 -37.3852 -48.507 36.4866 -21.1413 37.3407 45.0664 TIMING: 1010800 CPU: 2928.77, 0.00289189/step Wall: 2928.77, 0.00289189/step, 3.20453 hours remaining, 207.574219 MB of memory in use. ENERGY: 1010800 709.8863 2034.0512 1929.8480 106.3045 -206308.2694 17632.6883 0.0000 0.0000 34044.3483 -149851.1430 297.3178 -183895.4912 -149750.4682 297.5713 -109.1286 -78.1700 557776.4976 -14.3662 -14.3360 PRESSURE: 1011000 -2.09896 65.2961 -149.102 65.2977 14.0533 34.4987 -149.101 34.4971 -104.78 GPRESSURE: 1011000 26.258 122.348 -153.561 40.4483 47.8432 22.4889 -147.485 136.989 -65.1897 PRESSAVG: 1011000 -44.4368 20.0387 -80.4247 20.0387 18.5202 32.6082 -80.4247 32.6081 -0.236004 GPRESSAVG: 1011000 -45.8721 20.9383 -82.7966 18.908 19.9717 33.4294 -81.1206 32.6559 0.122083 TIMING: 1011000 CPU: 2929.35, 0.00289872/step Wall: 2929.35, 0.00289871/step, 3.21194 hours remaining, 207.574219 MB of memory in use. ENERGY: 1011000 765.7228 2087.3697 1951.5142 109.6331 -206562.2581 17953.7270 0.0000 0.0000 33985.2471 -149709.0442 296.8016 -183694.2913 -149611.8792 298.1689 -30.9420 2.9705 556562.1359 -8.7175 -8.5927 PRESSURE: 1011200 -85.6006 -25.9513 121.884 -25.9505 -54.7818 13.5043 121.883 13.5041 -129.433 GPRESSURE: 1011200 -47.516 37.8995 116.663 -80.923 -49.2072 -35.0678 97.7122 40.7387 -79.844 PRESSAVG: 1011200 7.27694 38.4828 29.2139 38.4828 4.95876 23.7768 29.2138 23.7768 -21.4045 GPRESSAVG: 1011200 8.6379 38.0746 32.2117 39.2138 4.32462 22.5068 28.9654 26.351 -21.1298 TIMING: 1011200 CPU: 2929.93, 0.00291263/step Wall: 2929.93, 0.00291264/step, 3.2272 hours remaining, 207.574219 MB of memory in use. ENERGY: 1011200 771.4714 2062.2372 1913.6483 124.0599 -206540.2221 17819.0630 0.0000 0.0000 34277.7110 -149572.0313 299.3558 -183849.7422 -149471.1963 298.4301 -89.9386 -58.8557 557277.0136 -3.0563 -2.7224 PRESSURE: 1011400 55.4849 -45.914 141.413 -45.9153 36.5061 -54.3392 141.413 -54.339 198.509 GPRESSURE: 1011400 142.25 39.3393 109.386 -137.904 64.7843 1.02625 201.782 -112.911 177.341 PRESSAVG: 1011400 54.5137 4.73139 20.3243 4.73134 -52.0377 -0.668044 20.3243 -0.667943 -0.348108 GPRESSAVG: 1011400 56.0618 5.56715 21.4821 4.80619 -51.4901 0.42058 19.5506 -3.24088 -2.66362 TIMING: 1011400 CPU: 2930.52, 0.00290759/step Wall: 2930.52, 0.00290759/step, 3.22145 hours remaining, 207.574219 MB of memory in use. ENERGY: 1011400 710.0906 2065.1583 1951.2125 110.0730 -206423.9677 18021.4776 0.0000 0.0000 34111.2032 -149454.7524 297.9016 -183565.9556 -149357.2332 298.2965 96.8333 128.1250 558476.1847 0.7093 0.6360 PRESSURE: 1011600 -118.588 37.199 122.678 37.1996 -72.6389 133.871 122.676 133.872 -245.92 GPRESSURE: 1011600 -63.4323 128.871 79.1108 -16.2092 -39.8198 123.352 223.621 160.968 -233.539 PRESSAVG: 1011600 10.2902 -8.0912 -1.04959 -8.0912 -21.342 8.85397 -1.0495 8.85392 -21.0462 GPRESSAVG: 1011600 8.63767 -11.23 -1.80369 -7.13603 -21.2629 10.566 0.966556 7.69407 -18.8466 TIMING: 1011600 CPU: 2931.1, 0.00290325/step Wall: 2931.1, 0.00290325/step, 3.21648 hours remaining, 207.574219 MB of memory in use. ENERGY: 1011600 735.5880 2112.3929 1902.9051 110.0935 -206151.7899 17590.3266 0.0000 0.0000 34175.4880 -149524.9960 298.4630 -183700.4839 -149425.0352 297.8071 -145.7157 -112.2639 557273.3780 -10.6993 -10.4906 PRESSURE: 1011800 -60.3356 -44.8056 -7.67545 -44.806 210.422 95.7728 -7.67544 95.7722 -89.2705 GPRESSURE: 1011800 -58.2099 -92.5654 26.9654 153.408 240.721 -1.18737 -1.58846 111.458 -25.6071 PRESSAVG: 1011800 -7.76227 -61.3397 28.8185 -61.3396 29.144 21.5163 28.8185 21.5162 -48.294 GPRESSAVG: 1011800 -6.9451 -61.0992 27.8516 -59.3895 29.1285 18.3168 28.5945 23.7883 -48.8908 TIMING: 1011800 CPU: 2931.67, 0.00287907/step Wall: 2931.67, 0.00287907/step, 3.18953 hours remaining, 207.574219 MB of memory in use. ENERGY: 1011800 712.6332 2067.0838 1960.6181 106.7247 -206332.5063 17876.4302 0.0000 0.0000 34172.8547 -149436.1616 298.4400 -183609.0163 -149341.0896 298.1942 20.2721 52.3013 557907.7744 -8.9708 -8.9025 PRESSURE: 1012000 -221.202 71.4037 17.2407 71.4037 -168.918 -150.535 17.2401 -150.534 -230.973 GPRESSURE: 1012000 -165.914 -14.6791 16.7908 96.7401 -124.751 -113.353 97.0547 -158.017 -224.878 PRESSAVG: 1012000 8.49347 23.3606 67.2288 23.3608 -32.343 -42.7711 67.2288 -42.771 57.5738 GPRESSAVG: 1012000 6.6837 24.1959 68.4893 21.0985 -31.0873 -42.1794 67.0181 -43.5556 58.0043 TIMING: 1012000 CPU: 2932.25, 0.00287753/step Wall: 2932.25, 0.00287753/step, 3.18766 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1012000 772.9756 2095.3271 1932.2336 116.7727 -206061.9541 17712.4655 0.0000 0.0000 34150.2945 -149281.8852 298.2430 -183432.1796 -149184.2805 298.6408 -207.0312 -171.8477 558918.4218 11.2414 11.2002 PRESSURE: 1012200 202.521 -20.4181 52.599 -20.4183 86.9504 -7.48278 52.5969 -7.48253 128.386 GPRESSURE: 1012200 233.21 13.5743 79.5755 -96.487 97.9208 34.9782 22.5292 -43.5726 183.471 PRESSAVG: 1012200 30.6435 -10.6917 13.2427 -10.6916 -42.6631 -1.17872 13.2427 -1.1787 30.9126 GPRESSAVG: 1012200 31.2114 -9.7259 11.8122 -10.9133 -43.3254 -0.483534 13.9885 -1.66473 31.0136 TIMING: 1012200 CPU: 2932.82, 0.00288047/step Wall: 2932.82, 0.00288047/step, 3.19076 hours remaining, 207.574219 MB of memory in use. ENERGY: 1012200 738.1477 2075.5202 1944.8003 104.0394 -206433.6157 18031.4896 0.0000 0.0000 34230.1472 -149309.4713 298.9404 -183539.6185 -149220.5074 298.6410 139.2856 171.5340 556929.2675 6.2977 6.2999 LDB: ============= START OF LOAD BALANCING ============== 2936.21 LDB: ============== END OF LOAD BALANCING =============== 2936.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2936.21 LDB: ============= START OF LOAD BALANCING ============== 2936.5 LDB: Largest compute 4820 load 0.023540 is 20.0% of average load 0.117981 LDB: Average compute 0.001700 is 1.4% of average load 0.117981 LDB: TIME 2936.5 LOAD: AVG 0.117981 MAX 0.185988 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.887 MB LDB: TIME 2936.5 LOAD: AVG 0.117981 MAX 0.185988 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.113 MB LDB: TIME 2936.5 LOAD: AVG 0.117981 MAX 0.185988 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.113 MB LDB: ============== END OF LOAD BALANCING =============== 2936.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2936.51 PRESSURE: 1012400 -101.921 -121.091 -36.1318 -121.091 -195.901 125.964 -36.1318 125.964 -81.3318 GPRESSURE: 1012400 -33.3306 -84.7231 -8.08217 -46.3792 -203.76 54.4941 14.1355 110.243 -49.1304 PRESSAVG: 1012400 -28.9878 32.448 18.5146 32.4481 21.7879 0.854779 18.5146 0.854834 -21.3001 GPRESSAVG: 1012400 -29.484 32.0766 19.3282 31.7784 21.0968 2.0586 16.8108 1.9686 -20.3401 TIMING: 1012400 CPU: 2933.41, 0.00295095/step Wall: 2933.41, 0.00295095/step, 3.26867 hours remaining, 208.015625 MB of memory in use. ENERGY: 1012400 765.8363 2007.2611 1933.9141 117.5700 -205943.9027 17468.4737 0.0000 0.0000 34349.2906 -149301.5569 299.9809 -183650.8475 -149198.6400 298.7559 -126.3848 -95.4069 555888.9560 -9.5000 -9.5758 PRESSURE: 1012600 -97.9456 170.649 -85.3192 170.649 -59.6914 77.3905 -85.3183 77.3886 28.8166 GPRESSURE: 1012600 -32.0446 187.858 -9.7575 178.767 46.7994 54.8554 -44.2013 10.5205 -32.7823 PRESSAVG: 1012600 17.9185 -11.5615 26.6407 -11.5615 39.5958 47.8308 26.6407 47.8307 -55.9953 GPRESSAVG: 1012600 18.2016 -10.7853 25.8204 -10.5092 40.6587 47.1062 27.7839 47.7403 -57.407 TIMING: 1012600 CPU: 2933.99, 0.0028722/step Wall: 2933.99, 0.0028722/step, 3.18128 hours remaining, 208.015625 MB of memory in use. ENERGY: 1012600 737.4575 2126.7702 1908.0026 103.9630 -206308.0234 17782.3801 0.0000 0.0000 34305.5463 -149343.9037 299.5989 -183649.4500 -149256.7581 298.5276 -42.9401 -6.0092 557594.3948 0.5063 0.4844 PRESSURE: 1012800 -94.9827 -154.314 127.754 -154.313 -80.1159 -67.1973 127.753 -67.1975 143.928 GPRESSURE: 1012800 -60.5886 -57.4203 -22.9947 -187.143 -31.6444 -16.5095 141.006 -86.9679 152.879 PRESSAVG: 1012800 28.6524 -41.1585 13.6234 -41.1585 -19.4512 27.373 13.6234 27.373 4.4574 GPRESSAVG: 1012800 29.629 -41.9062 12.5289 -41.4043 -19.398 26.957 13.4389 28.2141 3.5874 TIMING: 1012800 CPU: 2934.57, 0.00288973/step Wall: 2934.57, 0.00288973/step, 3.20054 hours remaining, 208.015625 MB of memory in use. ENERGY: 1012800 752.4216 2126.2257 1944.1315 95.6765 -205964.8937 17738.3591 0.0000 0.0000 34132.8262 -149175.2530 298.0905 -183308.0792 -149085.2571 298.6066 -10.3903 20.2154 556813.5320 4.5529 4.6061 PRESSURE: 1013000 -174.109 -143.631 -118.036 -143.63 -26.8958 67.0244 -118.035 67.0259 -338.399 GPRESSURE: 1013000 -165.898 -179.801 -124.698 -134.228 22.5862 111.361 -111.598 36.1713 -293.653 PRESSAVG: 1013000 84.9336 -35.4009 23.5587 -35.401 14.6565 28.9463 23.5587 28.9463 -68.8579 GPRESSAVG: 1013000 85.4429 -35.4178 25.9745 -35.7649 12.9221 30.9836 23.1605 27.6031 -67.1426 TIMING: 1013000 CPU: 2935.14, 0.0028606/step Wall: 2935.14, 0.0028606/step, 3.16811 hours remaining, 208.015625 MB of memory in use. ENERGY: 1013000 752.0655 2064.8997 1916.9270 122.0474 -206018.9063 17575.3217 0.0000 0.0000 34383.4494 -149204.1956 300.2792 -183587.6450 -149105.1439 298.8041 -179.8012 -145.6550 558182.1657 10.2441 10.4075 PRESSURE: 1013200 0.23354 -59.7418 -70.6271 -59.7422 -34.5352 143.456 -70.6275 143.455 173.354 GPRESSURE: 1013200 -14.5907 -30.9627 -104.101 14.0679 46.1928 135.415 -97.6325 103.526 199.306 PRESSAVG: 1013200 -15.7152 24.2915 48.3492 24.2916 14.8818 43.5694 48.3493 43.5695 -6.8278 GPRESSAVG: 1013200 -16.61 25.6627 48.119 25.2214 15.2596 43.3384 47.9075 42.4238 -6.29508 TIMING: 1013200 CPU: 2935.71, 0.00286181/step Wall: 2935.71, 0.00286181/step, 3.1693 hours remaining, 208.015625 MB of memory in use. ENERGY: 1013200 725.5323 2075.6774 1950.0210 121.8081 -206255.0049 17873.1709 0.0000 0.0000 34294.7335 -149214.0618 299.5044 -183508.7953 -149118.2822 299.3274 46.3506 76.9695 558151.9355 -2.5537 -2.5485 PRESSURE: 1013400 31.083 11.875 -85.0882 11.8748 125.223 144.439 -85.0889 144.439 -154.479 GPRESSURE: 1013400 78.7865 22.4818 -79.1112 -47.4459 106.09 142.53 -27.0604 123.116 -95.9849 PRESSAVG: 1013400 38.3134 27.0751 4.98902 27.075 -15.223 45.8714 4.98891 45.8714 -23.8019 GPRESSAVG: 1013400 38.8681 25.9629 6.60744 25.2345 -14.0152 43.2376 4.7857 48.4883 -25.492 TIMING: 1013400 CPU: 2936.28, 0.00286249/step Wall: 2936.28, 0.00286249/step, 3.16989 hours remaining, 208.015625 MB of memory in use. ENERGY: 1013400 715.9818 2093.2757 1962.7002 107.8176 -206005.7616 17903.3651 0.0000 0.0000 34240.1249 -148982.4964 299.0275 -183222.6212 -148888.4414 300.0411 0.6090 29.6307 558791.0302 -0.2372 -0.2130 PRESSURE: 1013600 -133.391 -116.851 -114.238 -116.85 -61.9548 13.2625 -114.239 13.2622 -81.1151 GPRESSURE: 1013600 -119.982 -123.828 -139.928 -72.746 -37.8569 -0.446867 -2.78134 20.6064 -17.1059 PRESSAVG: 1013600 -1.94299 -30.9212 16.2753 -30.9212 -57.9734 43.7218 16.2752 43.7218 18.3275 GPRESSAVG: 1013600 -2.43879 -32.0107 13.8775 -30.4996 -59.1348 47.4981 17.8759 41.0276 20.6374 TIMING: 1013600 CPU: 2936.86, 0.00286961/step Wall: 2936.86, 0.00286961/step, 3.17762 hours remaining, 208.015625 MB of memory in use. ENERGY: 1013600 704.0455 2091.3577 1953.1007 110.2280 -205721.8430 17705.5606 0.0000 0.0000 34313.8161 -148843.7344 299.6711 -183157.5505 -148745.2073 299.9004 -92.1535 -58.3149 559183.5177 -13.8629 -13.6454 PRESSURE: 1013800 -136.233 37.7767 56.2727 37.7763 -56.2443 -295.834 56.2735 -295.835 14.5796 GPRESSURE: 1013800 -66.6192 46.5254 52.7386 -52.0768 -32.9335 -305.805 94.3953 -177.365 18.9672 PRESSAVG: 1013800 -50.5151 -22.0283 6.98415 -22.0282 26.5009 -21.0054 6.98408 -21.0055 -11.0948 GPRESSAVG: 1013800 -50.0039 -21.3524 6.23157 -21.7087 27.0421 -24.3974 7.22487 -18.9837 -12.4714 TIMING: 1013800 CPU: 2937.43, 0.00288021/step Wall: 2937.43, 0.00288021/step, 3.1892 hours remaining, 208.015625 MB of memory in use. ENERGY: 1013800 750.5293 2040.0535 1944.7506 124.2949 -205519.5794 17621.8201 0.0000 0.0000 34236.2974 -148801.8337 298.9941 -183038.1310 -148707.9410 299.4456 -59.2993 -26.8618 560061.5616 -11.7030 -11.8111 PRESSURE: 1014000 -292.247 -122.414 -17.5897 -122.414 -36.8748 -53.1757 -17.5882 -53.1763 -279.282 GPRESSURE: 1014000 -264.541 -65.2389 41.3593 -66.238 -37.1031 -136.243 15.0623 -4.25426 -214.655 PRESSAVG: 1014000 54.0448 22.8249 30.8155 22.8249 0.437075 -6.09255 30.8155 -6.0927 2.64818 GPRESSAVG: 1014000 54.1984 25.1194 34.2149 22.5576 0.0899203 -5.40063 29.214 -3.84442 3.21015 TIMING: 1014000 CPU: 2938.01, 0.00286929/step Wall: 2938.01, 0.00286929/step, 3.17694 hours remaining, 208.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1014000 771.6499 2088.5645 1917.2088 117.5907 -205679.3094 17637.1561 0.0000 0.0000 34288.3424 -148858.7970 299.4486 -183147.1394 -148759.0404 300.1445 -202.8014 -172.0999 559557.7315 19.0433 19.1662 PRESSURE: 1014200 27.1181 106.132 -148.581 106.132 97.1525 -104.6 -148.58 -104.601 -68.4372 GPRESSURE: 1014200 15.0194 86.5362 -202.527 57.5581 163.792 -70.9329 -93.7803 -59.6994 -17.3755 PRESSAVG: 1014200 5.5073 -31.0783 -18.1392 -31.0783 7.70344 -49.8867 -18.1391 -49.8867 -1.7958 GPRESSAVG: 1014200 5.67515 -32.6831 -19.6357 -30.6258 8.35575 -51.0729 -18.154 -50.1565 -2.5774 TIMING: 1014200 CPU: 2938.59, 0.00289566/step Wall: 2938.59, 0.00289566/step, 3.20597 hours remaining, 208.339844 MB of memory in use. ENERGY: 1014200 761.8286 2083.6704 1918.3565 115.8870 -205541.1648 17674.0032 0.0000 0.0000 34200.9240 -148786.4952 298.6852 -182987.4192 -148691.3665 300.2773 18.6111 53.8119 556214.6702 3.8050 3.8178 PRESSURE: 1014400 -123.566 -12.2142 12.2773 -12.2137 -3.72422 -73.2613 12.2772 -73.2605 361.919 GPRESSURE: 1014400 -97.8132 -68.2868 44.9163 27.666 46.7641 -76.0487 6.9717 -47.2456 374.315 PRESSAVG: 1014400 -52.488 -30.7542 0.548558 -30.7543 4.30792 -8.17933 0.548477 -8.17933 1.77072 GPRESSAVG: 1014400 -52.6123 -31.7491 2.38392 -29.8818 3.46502 -5.7175 0.69643 -11.0451 2.96273 TIMING: 1014400 CPU: 2939.17, 0.00289985/step Wall: 2939.17, 0.00289985/step, 3.21046 hours remaining, 208.339844 MB of memory in use. ENERGY: 1014400 738.3786 2109.1314 1947.8489 120.7620 -206018.5623 17647.9776 0.0000 0.0000 34573.4957 -148880.9681 301.9389 -183454.4638 -148786.6380 300.5593 78.2098 107.7554 555992.5139 -15.4698 -15.3949 PRESSURE: 1014600 -142.677 31.9889 -93.1073 31.9889 -33.7385 -55.3268 -93.1084 -55.3268 -109.794 GPRESSURE: 1014600 -103.53 72.0509 6.32808 2.53954 -17.8899 -55.4191 -92.0395 -65.5105 -61.8183 PRESSAVG: 1014600 -48.5534 7.3799 -16.0244 7.37981 16.2154 23.7961 -16.0244 23.796 -19.2747 GPRESSAVG: 1014600 -48.3716 8.40592 -17.1731 8.49323 17.2668 22.678 -14.6928 26.2363 -20.1609 TIMING: 1014600 CPU: 2939.74, 0.00288435/step Wall: 2939.74, 0.00288435/step, 3.19313 hours remaining, 208.339844 MB of memory in use. ENERGY: 1014600 733.3250 2142.6609 1929.7039 125.8651 -205441.2777 17374.6465 0.0000 0.0000 34283.1071 -148851.9693 299.4029 -183135.0764 -148758.1730 299.7909 -95.4029 -61.0793 557982.7056 -17.2042 -17.0886 PRESSURE: 1014800 -156.799 -44.1941 57.3353 -44.1932 -17.5739 56.4048 57.3359 56.4048 38.6582 GPRESSURE: 1014800 -149.355 -57.8239 106.862 -37.7045 10.4842 30.0749 73.1313 79.572 106.663 PRESSAVG: 1014800 -3.47443 15.8853 34.6908 15.8853 70.9252 15.2563 34.6908 15.2563 1.97455 GPRESSAVG: 1014800 -3.82857 15.4652 32.1868 14.3403 70.1312 17.3112 36.6174 13.293 2.98185 TIMING: 1014800 CPU: 2940.32, 0.0028941/step Wall: 2940.32, 0.0028941/step, 3.20377 hours remaining, 208.339844 MB of memory in use. ENERGY: 1014800 756.6464 2036.5866 1953.8979 110.3108 -205758.5774 17628.6147 0.0000 0.0000 34310.9868 -148961.5344 299.6464 -183272.5212 -148867.9514 299.4747 -45.2382 -10.7360 556562.5334 23.1418 23.0948 PRESSURE: 1015000 176.743 -206.599 148.886 -206.599 170.612 -105.994 148.885 -105.992 -10.8138 GPRESSURE: 1015000 212.693 -94.101 139.238 -189.778 178.008 -143.933 112.528 -126.152 39.5536 PRESSAVG: 1015000 -48.413 19.624 42.086 19.6241 77.8457 -28.7554 42.086 -28.7552 -9.05584 GPRESSAVG: 1015000 -48.6295 22.147 43.7474 20.8567 78.1444 -29.7726 38.6166 -27.6318 -9.58677 TIMING: 1015000 CPU: 2940.9, 0.00286991/step Wall: 2940.9, 0.00286991/step, 3.17683 hours remaining, 208.339844 MB of memory in use. ENERGY: 1015000 713.1492 2071.9493 1933.7798 113.7264 -206044.3273 17738.8068 0.0000 0.0000 34445.2471 -149027.6687 300.8189 -183472.9158 -148927.7436 300.2185 112.1804 143.4184 555799.8876 6.7923 6.6427 PRESSURE: 1015200 143.26 158.896 -154.753 158.896 -66.3748 -206.049 -154.753 -206.049 205.886 GPRESSURE: 1015200 183.268 211.725 -211.197 96.5819 -67.6487 -133.973 -159.085 -223.101 250.78 PRESSAVG: 1015200 25.2845 28.7656 -17.408 28.7655 -19.6346 -43.4199 -17.4081 -43.4198 25.5596 GPRESSAVG: 1015200 26.081 26.7372 -17.6403 26.8123 -18.5306 -43.4855 -16.3505 -42.8905 24.3273 TIMING: 1015200 CPU: 2941.47, 0.00288385/step Wall: 2941.47, 0.00288385/step, 3.1921 hours remaining, 208.339844 MB of memory in use. ENERGY: 1015200 767.9887 2073.1650 1946.3280 105.5573 -206224.5877 17965.5147 0.0000 0.0000 34407.2945 -148958.7395 300.4875 -183366.0340 -148864.8701 299.2066 94.2570 122.1331 556719.9567 10.4032 10.6259 PRESSURE: 1015400 -262.404 -177.368 -25.0943 -177.368 62.733 -73.3533 -25.0955 -73.3529 -130.326 GPRESSURE: 1015400 -189.264 -194.755 -61.0661 -164.938 80.8011 42.1712 -11.907 -109.766 -141.285 PRESSAVG: 1015400 -27.9719 22.3496 -51.3243 22.3496 -46.3968 -8.46516 -51.3243 -8.46507 75.432 GPRESSAVG: 1015400 -29.2996 21.2216 -52.1031 24.0956 -47.0591 -7.22212 -48.9843 -9.23247 77.5847 TIMING: 1015400 CPU: 2942.05, 0.00288107/step Wall: 2942.05, 0.00288107/step, 3.18886 hours remaining, 208.339844 MB of memory in use. ENERGY: 1015400 708.2370 2111.3271 1938.6746 108.7239 -205921.5331 17605.2341 0.0000 0.0000 34272.6176 -149176.7189 299.3113 -183449.3364 -149067.5955 299.8860 -109.9990 -83.2493 558782.1399 0.3544 0.4086 PRESSURE: 1015600 -21.3992 -119.877 -233.467 -119.874 -194.204 -65.7898 -233.467 -65.7896 -109.527 GPRESSURE: 1015600 -14.8427 -148.359 -168.843 -113.399 -126.531 -43.9199 -187.646 -55.0568 -99.3462 PRESSAVG: 1015600 -43.3425 -20.8166 -13.6537 -20.8165 -35.3082 23.5884 -13.6536 23.5885 33.913 GPRESSAVG: 1015600 -43.0503 -21.4024 -12.0976 -22.4523 -35.6008 24.0747 -13.6448 22.9106 33.7952 TIMING: 1015600 CPU: 2942.62, 0.00287487/step Wall: 2942.62, 0.00287487/step, 3.18184 hours remaining, 208.339844 MB of memory in use. ENERGY: 1015600 727.9896 2116.1592 1949.4840 114.7379 -205614.0177 17607.7985 0.0000 0.0000 34130.3924 -148967.4561 298.0692 -183097.8485 -148873.2037 299.6701 -108.3767 -80.2399 559111.1631 -14.9126 -14.9519 PRESSURE: 1015800 -13.5358 117.459 4.31412 117.46 -44.3429 -20.1015 4.31387 -20.1027 125.478 GPRESSURE: 1015800 12.1315 73.0931 -112.784 150.423 -45.1017 -69.6077 43.8144 6.75276 188.442 PRESSAVG: 1015800 -22.771 10.3372 2.99295 10.3373 18.9259 -70.3273 2.99296 -70.3274 21.5467 GPRESSAVG: 1015800 -21.1816 10.6146 1.24252 10.2319 19.2164 -72.2657 2.31637 -68.4801 19.9169 TIMING: 1015800 CPU: 2943.2, 0.00288243/step Wall: 2943.2, 0.00288243/step, 3.19005 hours remaining, 208.339844 MB of memory in use. ENERGY: 1015800 753.1205 2091.4256 1960.9569 120.5730 -205680.0024 17795.0359 0.0000 0.0000 34246.1763 -148712.7143 299.0804 -182958.8906 -148618.2841 299.8105 22.5332 51.8240 557804.7332 5.9006 5.9839 PRESSURE: 1016000 126.204 -32.0689 182.92 -32.0684 205.648 -134.961 182.92 -134.961 187.167 GPRESSURE: 1016000 136.542 -36.3144 145.84 -51.0901 217.852 -137.494 219.029 -100.895 265.246 PRESSAVG: 1016000 47.6823 11.1799 77.7853 11.1799 -66.3981 3.24254 77.7854 3.24256 39.4583 GPRESSAVG: 1016000 44.9878 13.2831 77.9368 9.3029 -66.0425 4.4558 77.8849 1.81831 41.1096 TIMING: 1016000 CPU: 2943.78, 0.00290422/step Wall: 2943.78, 0.00290422/step, 3.21401 hours remaining, 208.339844 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: 1016000 759.6985 2088.4853 1943.3536 116.0158 -206113.0985 18049.6540 0.0000 0.0000 34406.2723 -148749.6190 300.4785 -183155.8913 -148650.3669 299.9915 173.0061 206.5463 556956.3712 6.9142 6.6850 PRESSURE: 1016200 -55.2924 94.83 -72.6066 94.8313 -68.7542 -65.6082 -72.6086 -65.6067 319.112 GPRESSURE: 1016200 -28.2991 162.713 -68.9256 38.0815 -51.2989 3.61257 -30.2939 -161.608 363.112 PRESSAVG: 1016200 -16.8276 1.78807 7.54962 1.78817 37.4078 -70.7609 7.54965 -70.7608 13.663 GPRESSAVG: 1016200 -15.9528 -0.306256 8.38746 1.58432 37.0003 -71.4348 4.72268 -70.3264 13.7092 TIMING: 1016200 CPU: 2944.36, 0.00290407/step Wall: 2944.36, 0.00290407/step, 3.21368 hours remaining, 208.339844 MB of memory in use. ENERGY: 1016200 722.0099 2112.6250 1937.2764 109.5083 -205931.4828 17802.2510 0.0000 0.0000 34360.6123 -148887.2000 300.0798 -183247.8123 -148795.2720 300.7319 65.0219 94.5047 558480.3387 11.4144 11.5856 LDB: ============= START OF LOAD BALANCING ============== 2947.75 LDB: ============== END OF LOAD BALANCING =============== 2947.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2947.75 LDB: ============= START OF LOAD BALANCING ============== 2948.04 LDB: Largest compute 4820 load 0.023372 is 19.8% of average load 0.117972 LDB: Average compute 0.001710 is 1.4% of average load 0.117972 LDB: TIME 2948.04 LOAD: AVG 0.117972 MAX 0.182395 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.527 MB LDB: TIME 2948.04 LOAD: AVG 0.117972 MAX 0.182395 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.527 MB LDB: TIME 2948.04 LOAD: AVG 0.117972 MAX 0.182395 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2948.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2948.05 PRESSURE: 1016400 -39.7388 -12.5449 7.09032 -12.5453 -70.3798 69.2287 7.09056 69.2281 134.998 GPRESSURE: 1016400 3.61638 -63.937 -26.5543 -61.1264 -38.768 62.1183 -57.6782 103.829 151.347 PRESSAVG: 1016400 34.9254 39.0015 76.3586 39.0015 -17.9293 -41.1978 76.3586 -41.1979 -0.0464778 GPRESSAVG: 1016400 34.6528 40.268 74.6079 39.2835 -16.5342 -39.0126 77.0905 -40.4998 -1.00361 TIMING: 1016400 CPU: 2944.95, 0.00294903/step Wall: 2944.95, 0.00294903/step, 3.26326 hours remaining, 208.074219 MB of memory in use. ENERGY: 1016400 763.8684 2118.1717 1949.1264 113.6921 -205904.5738 17769.4268 0.0000 0.0000 34271.4742 -148918.8141 299.3013 -183190.2883 -148819.3260 300.4926 8.2931 38.7318 558455.4829 5.6498 5.7050 PRESSURE: 1016600 -202.806 163.364 -126.716 163.365 77.5273 -80.2058 -126.717 -80.2047 -1.42347 GPRESSURE: 1016600 -180.82 136.74 -155.053 186.661 147.991 -121.115 -95.9981 -76.1858 -0.170494 PRESSAVG: 1016600 -32.4801 -52.018 -5.05447 -52.018 21.2603 17.9119 -5.05446 17.9121 19.7161 GPRESSAVG: 1016600 -32.9687 -51.8306 -4.69784 -50.8449 20.1323 17.6912 -4.65488 17.213 21.1527 TIMING: 1016600 CPU: 2945.53, 0.00289677/step Wall: 2945.53, 0.00289677/step, 3.20528 hours remaining, 208.074219 MB of memory in use. ENERGY: 1016600 746.9522 2046.0413 1984.0972 125.7361 -206260.3714 17881.3007 0.0000 0.0000 34554.0278 -148922.2161 301.7689 -183476.2439 -148832.4170 300.0704 -42.2341 -10.9997 558665.8610 2.8321 2.7721 PRESSURE: 1016800 -350.181 -19.3961 -286.584 -19.3955 -202.796 -13.4535 -286.584 -13.4542 122.036 GPRESSURE: 1016800 -291.778 -44.8379 -258.877 62.8039 -149.162 -15.3879 -271.128 -35.5426 110.481 PRESSAVG: 1016800 -37.5367 29.8843 -34.5075 29.8844 -67.226 -30.7818 -34.5076 -30.7818 55.0916 GPRESSAVG: 1016800 -36.302 29.5459 -33.1336 29.7848 -67.2035 -32.2177 -33.1441 -30.3602 54.2664 TIMING: 1016800 CPU: 2946.11, 0.00290484/step Wall: 2946.11, 0.00290484/step, 3.21405 hours remaining, 208.074219 MB of memory in use. ENERGY: 1016800 755.2287 2089.4015 1925.8950 111.2227 -205709.8703 17588.3340 0.0000 0.0000 34322.3191 -148917.4694 299.7453 -183239.7885 -148817.2624 300.3691 -143.6469 -110.1531 558767.0715 -16.5570 -16.4130 PRESSURE: 1017000 -180.804 -50.1995 1.87398 -50.1993 -178.871 -110.011 1.87362 -110.013 -176.422 GPRESSURE: 1017000 -152.529 -18.3691 2.37284 -102.01 -171.103 -124.222 68.0269 -74.5566 -122.433 PRESSAVG: 1017000 -54.6728 33.3799 -6.49781 33.3799 2.32409 -49.6418 -6.49777 -49.6418 -2.911 GPRESSAVG: 1017000 -55.5163 34.6826 -7.5997 32.4229 2.15995 -50.3729 -5.4847 -48.8205 -2.11712 TIMING: 1017000 CPU: 2946.69, 0.00287792/step Wall: 2946.69, 0.00287792/step, 3.18409 hours remaining, 208.074219 MB of memory in use. ENERGY: 1017000 728.7842 2082.1917 1940.2381 105.8692 -205939.0201 17529.7977 0.0000 0.0000 34507.5632 -149044.5760 301.3631 -183552.1392 -148944.0148 299.6357 -178.6987 -148.6883 557628.1550 -18.4199 -18.4912 PRESSURE: 1017200 26.8696 -120.598 38.7024 -120.597 -36.4611 10.7828 38.7022 10.7842 -383.216 GPRESSURE: 1017200 62.1205 -17.7529 50.1229 -188.432 10.6029 101.567 54.3353 -0.705632 -361.254 PRESSAVG: 1017200 -24.1011 30.427 79.0901 30.4269 -27.2155 11.1227 79.09 11.1226 50.5782 GPRESSAVG: 1017200 -23.6996 28.2476 79.588 30.3905 -27.3036 10.6562 78.019 9.66991 50.0991 TIMING: 1017200 CPU: 2947.27, 0.00288234/step Wall: 2947.27, 0.00288234/step, 3.18883 hours remaining, 208.074219 MB of memory in use. ENERGY: 1017200 768.1500 2028.1237 1940.3609 109.9691 -205672.6367 17530.0368 0.0000 0.0000 34248.1189 -149047.8773 299.0973 -183295.9961 -148947.9654 299.8598 -130.9359 -96.1767 558876.6097 -0.2461 -0.3014 PRESSURE: 1017400 -104.142 26.2843 -105.513 26.2838 106.381 -212.249 -105.514 -212.251 -224.535 GPRESSURE: 1017400 -62.0303 64.1157 -151.043 -12.8327 181.309 -191.714 -40.2795 -221.536 -255.781 PRESSAVG: 1017400 -50.3092 28.9609 8.77877 28.9609 25.3516 -23.2885 8.7787 -23.2885 72.2652 GPRESSAVG: 1017400 -49.5093 30.5664 10.8697 29.4108 25.2869 -20.8594 6.61474 -23.1947 71.0362 TIMING: 1017400 CPU: 2947.84, 0.00287875/step Wall: 2947.84, 0.00287875/step, 3.18469 hours remaining, 208.074219 MB of memory in use. ENERGY: 1017400 756.6519 2085.1693 1929.5062 123.7080 -206024.4527 17500.4024 0.0000 0.0000 34159.3950 -149469.6199 298.3225 -183629.0149 -149374.4962 299.2863 -74.0989 -45.5010 557102.5606 15.7692 15.6046 PRESSURE: 1017600 -127.888 110.433 142.106 110.433 -53.5045 -146.64 142.104 -146.639 -264.36 GPRESSURE: 1017600 -87.2756 42.7343 165.428 153.028 -44.1942 -122.839 108.874 -130.809 -219.991 PRESSAVG: 1017600 -34.918 14.0639 19.6863 14.064 -11.9507 -42.0528 19.6864 -42.053 26.7766 GPRESSAVG: 1017600 -35.1798 11.7366 17.8407 14.4009 -11.5023 -42.8804 19.696 -42.0426 26.8803 TIMING: 1017600 CPU: 2948.42, 0.00287128/step Wall: 2948.42, 0.00287128/step, 3.17627 hours remaining, 208.074219 MB of memory in use. ENERGY: 1017600 739.0858 2023.3951 1941.1437 113.9213 -206110.1351 17644.1646 0.0000 0.0000 34212.5948 -149435.8299 298.7871 -183648.4246 -149338.2307 298.5570 -148.5842 -117.1535 558932.0857 -6.6973 -6.6006 PRESSURE: 1017800 -49.3944 -148.876 4.3485 -148.876 66.001 -59.8941 4.34777 -59.8939 33.4949 GPRESSURE: 1017800 -25.6014 -158.64 -51.6252 -106.646 113.584 -48.6186 20.3304 66.3635 59.0616 PRESSAVG: 1017800 -4.68495 -30.501 -5.97226 -30.501 -6.78072 -67.4188 -5.97223 -67.4188 -28.2032 GPRESSAVG: 1017800 -5.68792 -29.0507 -5.18275 -31.7978 -7.35135 -66.4699 -4.54969 -67.365 -26.682 TIMING: 1017800 CPU: 2948.99, 0.00287009/step Wall: 2948.99, 0.00287009/step, 3.1748 hours remaining, 208.074219 MB of memory in use. ENERGY: 1017800 716.5593 2046.0586 1945.8718 106.9714 -206235.5221 17820.3172 0.0000 0.0000 34285.9163 -149313.8274 299.4274 -183599.7437 -149223.7246 298.3944 16.7005 49.0148 558313.2507 -13.2230 -13.2404 PRESSURE: 1018000 -138.586 39.8072 -118.726 39.8075 49.0459 9.92944 -118.727 9.93034 -192.407 GPRESSURE: 1018000 -111.532 -39.3405 -135.989 122.912 100.98 19.0953 -132.819 -3.40851 -177.137 PRESSAVG: 1018000 88.5927 -4.66573 -42.414 -4.66572 -78.3929 1.57847 -42.414 1.57834 4.68746 GPRESSAVG: 1018000 88.7728 -6.32405 -42.6692 -3.85597 -78.1122 1.70761 -42.4719 0.74314 3.75143 TIMING: 1018000 CPU: 2949.57, 0.00289269/step Wall: 2949.57, 0.00289269/step, 3.19963 hours remaining, 208.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1018000 728.5806 2091.2405 1938.2162 113.3287 -206268.3127 17819.7405 0.0000 0.0000 34381.3007 -149195.9054 300.2605 -183577.2061 -149101.4052 299.0250 -93.9825 -62.5633 557922.6559 4.9624 4.8040 PRESSURE: 1018200 85.744 -99.2636 194.028 -99.2643 105.984 73.8956 194.029 73.8937 -17.6099 GPRESSURE: 1018200 123.691 -59.3084 54.141 -118.896 122.958 107.413 220.923 67.1669 11.0858 PRESSAVG: 1018200 -26.5799 -23.5348 -61.0705 -23.5348 30.7304 67.5673 -61.0705 67.5672 5.56554 GPRESSAVG: 1018200 -27.4471 -24.5347 -60.7697 -22.9731 31.5279 66.596 -61.3604 68.7864 5.89148 TIMING: 1018200 CPU: 2950.15, 0.00291089/step Wall: 2950.15, 0.00291089/step, 3.21961 hours remaining, 208.074219 MB of memory in use. ENERGY: 1018200 721.2544 2124.5967 1962.0025 115.4569 -206484.3838 17986.5608 0.0000 0.0000 34437.2542 -149137.2582 300.7491 -183574.5124 -149043.1863 299.9038 58.0394 85.9114 557674.1547 3.2387 3.3241 PRESSURE: 1018400 -16.5977 25.4136 -99.1545 25.4122 -94.9942 -34.3452 -99.1546 -34.3462 25.2579 GPRESSURE: 1018400 30.209 136.927 -157.874 -67.5555 -79.0671 -42.3754 -0.297067 -29.6932 57.6113 PRESSAVG: 1018400 43.0397 -20.5669 -29.0701 -20.567 13.35 28.7603 -29.0701 28.7603 -48.7533 GPRESSAVG: 1018400 45.788 -18.2619 -30.689 -19.7751 11.581 28.1918 -29.2825 28.8907 -49.4113 TIMING: 1018400 CPU: 2950.73, 0.00291038/step Wall: 2950.73, 0.00291038/step, 3.21888 hours remaining, 208.074219 MB of memory in use. ENERGY: 1018400 717.2018 2113.4736 1983.8600 93.8132 -205960.6706 17712.4744 0.0000 0.0000 34329.7063 -149010.1413 299.8099 -183339.8476 -148917.5403 299.8627 -28.7780 2.9177 557853.8074 2.5455 2.6526 PRESSURE: 1018600 141.573 -114.398 139.229 -114.399 46.7766 263.506 139.228 263.504 29.3792 GPRESSURE: 1018600 146.718 -99.0251 121.127 -74.1721 87.7891 159.914 106.814 248.671 82.3785 PRESSAVG: 1018600 -27.0848 -41.2583 -9.60184 -41.2583 26.5826 45.5038 -9.60181 45.5038 -22.0064 GPRESSAVG: 1018600 -27.3041 -40.5239 -9.34193 -43.952 27.2823 45.6887 -8.52719 44.4116 -22.1478 TIMING: 1018600 CPU: 2951.31, 0.00290776/step Wall: 2951.31, 0.00290776/step, 3.21582 hours remaining, 208.074219 MB of memory in use. ENERGY: 1018600 759.5199 2093.2241 1939.5894 116.6109 -205965.5469 17904.6045 0.0000 0.0000 34276.0152 -148875.9828 299.3410 -183151.9980 -148779.5164 300.1759 72.5763 105.6286 557786.3571 -7.5029 -7.3899 PRESSURE: 1018800 42.6472 -92.8032 -35.2297 -92.8022 100.571 -89.0305 -35.2307 -89.0303 101.124 GPRESSURE: 1018800 87.2774 -205.081 -45.0241 -24.1265 110.103 -156.84 -16.9352 -38.3887 145.627 PRESSAVG: 1018800 40.1687 -62.1719 -18.4641 -62.1718 0.137261 -39.616 -18.464 -39.616 -2.28289 GPRESSAVG: 1018800 38.7435 -63.6147 -18.2487 -60.9592 0.514467 -39.1567 -18.995 -39.1149 -1.67949 TIMING: 1018800 CPU: 2951.89, 0.0029016/step Wall: 2951.89, 0.0029016/step, 3.20885 hours remaining, 208.074219 MB of memory in use. ENERGY: 1018800 703.5272 2061.0200 1997.3365 115.8381 -206045.5912 17877.1111 0.0000 0.0000 34392.2493 -148898.5089 300.3561 -183290.7582 -148796.2293 299.8651 81.4473 114.3359 556364.7943 12.6744 12.5262 PRESSURE: 1019000 -305.998 36.9358 30.8544 36.9364 -127.836 61.4879 30.8547 61.4888 -183.176 GPRESSURE: 1019000 -275.641 -26.8333 87.2514 -29.4079 -153.941 103.408 46.5794 31.2797 -79.7402 PRESSAVG: 1019000 7.62576 -33.9149 -38.6527 -33.9148 -44.4298 18.4738 -38.6527 18.4739 73.2165 GPRESSAVG: 1019000 7.97445 -34.4019 -37.138 -33.98 -44.9231 18.1526 -38.5632 19.7452 73.3034 TIMING: 1019000 CPU: 2952.48, 0.00291029/step Wall: 2952.48, 0.00291029/step, 3.21829 hours remaining, 208.074219 MB of memory in use. ENERGY: 1019000 729.7829 2105.3807 1956.3901 107.0236 -205733.8532 17501.3775 0.0000 0.0000 34376.1600 -148957.7384 300.2156 -183333.8984 -148861.3115 301.0081 -205.6701 -169.7739 559103.3481 12.1375 12.1183 PRESSURE: 1019200 3.45571 76.8979 18.5851 76.8979 -57.0207 51.2733 18.586 51.2754 -78.0948 GPRESSURE: 1019200 46.8035 163.03 58.2087 25.9873 8.76561 93.9637 11.172 41.7809 -92.9962 PRESSAVG: 1019200 32.1289 -10.8666 -11.145 -10.8666 -86.2453 66.7774 -11.145 66.7774 10.0649 GPRESSAVG: 1019200 31.8523 -10.084 -11.6358 -9.84584 -85.3579 69.9239 -13.1134 62.931 9.5657 TIMING: 1019200 CPU: 2953.06, 0.00290983/step Wall: 2953.06, 0.00290983/step, 3.21763 hours remaining, 208.074219 MB of memory in use. ENERGY: 1019200 731.7364 2103.7302 1959.3109 121.0669 -205906.1066 17796.8977 0.0000 0.0000 34261.4520 -148931.9126 299.2138 -183193.3646 -148838.3206 299.5187 -43.8866 -12.4757 559145.3684 -14.6838 -14.6466 PRESSURE: 1019400 215.58 57.8833 97.8003 57.8824 264.086 -7.18475 97.8003 -7.18618 178.168 GPRESSURE: 1019400 248.001 63.6673 -7.92619 30.5769 295.759 -22.056 115.053 18.2871 210.138 PRESSAVG: 1019400 -3.81694 53.0086 20.9398 53.0086 -3.32134 -27.3999 20.9398 -27.3999 -7.81192 GPRESSAVG: 1019400 -4.10719 53.1311 20.0266 52.8168 -3.33722 -30.711 22.443 -23.122 -7.37647 TIMING: 1019400 CPU: 2953.63, 0.00288282/step Wall: 2953.63, 0.00288282/step, 3.1876 hours remaining, 208.074219 MB of memory in use. ENERGY: 1019400 722.4176 2057.2509 1965.1381 112.1370 -205927.9756 18057.8440 0.0000 0.0000 34153.0509 -148860.1372 298.2671 -183013.1881 -148762.4124 300.2646 219.2781 251.2993 558297.4027 -4.9834 -4.9403 PRESSURE: 1019600 -122.149 80.4236 103.247 80.4232 -5.04606 -125.654 103.248 -125.652 411.278 GPRESSURE: 1019600 -42.5687 4.27969 43.8754 120.669 7.24872 -149.16 176.003 -180.75 423.065 PRESSAVG: 1019600 38.5828 10.5108 -27.9112 10.5109 -42.0004 -11.5602 -27.9112 -11.5601 15.2811 GPRESSAVG: 1019600 39.5932 11.0912 -27.3502 9.67499 -43.003 -11.5701 -27.8375 -13.2846 15.4108 TIMING: 1019600 CPU: 2954.21, 0.00287861/step Wall: 2954.21, 0.00287861/step, 3.18279 hours remaining, 208.074219 MB of memory in use. ENERGY: 1019600 705.1381 2068.5456 1965.0186 107.6801 -205892.6946 17785.7783 0.0000 0.0000 34332.5095 -148928.0243 299.8343 -183260.5339 -148830.0586 300.0923 94.6944 129.2483 556536.0505 3.9545 4.0003 PRESSURE: 1019800 -6.93319 -154.585 71.1602 -154.585 -283.196 -210.714 71.1603 -210.714 -140.361 GPRESSURE: 1019800 27.3367 -209.22 27.8194 -131.92 -224.87 -263.599 88.6478 -198.614 -138.416 PRESSAVG: 1019800 -71.0972 46.0917 28.9508 46.0916 67.639 -24.9944 28.9508 -24.9944 -6.6317 GPRESSAVG: 1019800 -71.792 44.4345 28.7216 45.6304 68.735 -23.6672 27.6118 -24.7711 -6.77291 TIMING: 1019800 CPU: 2954.79, 0.00291203/step Wall: 2954.79, 0.00291203/step, 3.21957 hours remaining, 208.074219 MB of memory in use. ENERGY: 1019800 730.1458 2032.0964 1968.1571 107.7812 -205352.1122 17220.1302 0.0000 0.0000 34332.5952 -148961.2063 299.8351 -183293.8014 -148867.0448 299.8554 -143.4968 -111.9829 556214.5189 -3.3633 -3.2766 PRESSURE: 1020000 286.454 -88.4712 -7.19082 -88.4719 -106.335 -49.5011 -7.19075 -49.4989 82.6758 GPRESSURE: 1020000 312.385 -40.9737 13.6212 -141.907 -73.9378 -99.8371 78.6957 -23.5829 112.795 PRESSAVG: 1020000 -30.0489 11.4105 29.2191 11.4106 60.5426 33.6755 29.2192 33.6755 -53.1264 GPRESSAVG: 1020000 -29.7923 14.2291 30.4113 11.6895 60.5961 34.1654 30.6124 33.8442 -53.2148 TIMING: 1020000 CPU: 2955.37, 0.00290173/step Wall: 2955.37, 0.00290173/step, 3.20802 hours remaining, 208.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1020000 724.3981 2109.4760 1911.3291 107.7149 -205688.2981 17507.4468 0.0000 0.0000 34461.3094 -148866.6238 300.9592 -183327.9332 -148774.0940 300.0903 87.5984 117.0808 556037.1708 -7.5443 -7.4703 PRESSURE: 1020200 79.2693 132.005 172.481 132.005 282.475 -6.14154 172.479 -6.13923 387.345 GPRESSURE: 1020200 144.52 76.9774 173.991 128.338 231.152 15.2276 145.734 -66.6277 481.686 PRESSAVG: 1020200 26.7183 24.3919 42.8392 24.3919 -35.8928 12.6987 42.8393 12.6986 -19.9204 GPRESSAVG: 1020200 26.6446 22.6479 40.2019 24.7499 -35.2957 13.5115 44.1851 10.314 -20.8097 TIMING: 1020200 CPU: 2955.96, 0.00292133/step Wall: 2955.96, 0.00292133/step, 3.22953 hours remaining, 208.074219 MB of memory in use. ENERGY: 1020200 752.6935 2066.5371 1963.0488 117.9742 -206298.3028 18047.3388 0.0000 0.0000 34384.3412 -148966.3692 300.2870 -183350.7104 -148873.0306 299.9621 249.6962 285.7859 556866.2273 -9.6983 -9.8203 LDB: ============= START OF LOAD BALANCING ============== 2959.35 LDB: ============== END OF LOAD BALANCING =============== 2959.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2959.35 LDB: ============= START OF LOAD BALANCING ============== 2959.64 LDB: Largest compute 4820 load 0.023077 is 19.6% of average load 0.117971 LDB: Average compute 0.001707 is 1.4% of average load 0.117971 LDB: TIME 2959.64 LOAD: AVG 0.117971 MAX 0.184383 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.02 MB LDB: TIME 2959.64 LOAD: AVG 0.117971 MAX 0.184383 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: TIME 2959.64 LOAD: AVG 0.117971 MAX 0.184383 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2959.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2959.65 PRESSURE: 1020400 182.364 -132.853 -57.2072 -132.851 -15.1947 -125.934 -57.2072 -125.934 199.11 GPRESSURE: 1020400 213.958 -61.0826 -57.8277 -113.996 43.4592 -97.2233 -87.2954 -134.223 197.593 PRESSAVG: 1020400 72.6987 25.3027 -19.8201 25.3028 16.8185 -21.4923 -19.82 -21.4923 -36.9445 GPRESSAVG: 1020400 71.5096 26.2427 -19.0027 26.0805 15.9309 -20.9156 -20.4727 -21.2747 -34.993 TIMING: 1020400 CPU: 2956.55, 0.00298682/step Wall: 2956.55, 0.00298682/step, 3.30176 hours remaining, 205.507812 MB of memory in use. ENERGY: 1020400 786.7636 2085.2688 1937.3489 115.6807 -206108.9114 17967.3692 0.0000 0.0000 34266.8611 -148949.6191 299.2610 -183216.4802 -148853.7371 300.6954 122.0931 151.6702 558108.9419 17.5242 17.4825 PRESSURE: 1020600 231.247 107.515 7.91737 107.514 -48.4524 -61.0192 7.91677 -61.0176 -264.323 GPRESSURE: 1020600 170.278 119.877 5.85002 55.9345 51.6309 -15.3508 123.708 -36.1608 -209.917 PRESSAVG: 1020600 -34.1425 -30.2832 16.9284 -30.2831 -1.93219 20.8971 16.9284 20.897 -18.1935 GPRESSAVG: 1020600 -32.7123 -30.6202 19.4342 -31.1998 -1.74297 18.7473 15.9245 22.7494 -19.5113 TIMING: 1020600 CPU: 2957.13, 0.00289899/step Wall: 2957.13, 0.00289899/step, 3.20452 hours remaining, 205.507812 MB of memory in use. ENERGY: 1020600 753.8417 2114.2198 1958.6476 107.5799 -206335.7532 17977.7606 0.0000 0.0000 34436.5766 -148987.1271 300.7432 -183423.7037 -148889.9742 300.3744 -27.1761 3.9974 557904.2327 -18.0894 -17.9888 PRESSURE: 1020800 -261.503 -130.079 63.8649 -130.08 -205.467 -113.336 63.865 -113.337 -418.053 GPRESSURE: 1020800 -227.309 -166.616 51.2979 -107.417 -195.367 -90.1795 122.928 -83.7606 -365.551 PRESSAVG: 1020800 24.172 28.5497 -5.33269 28.5498 58.1653 -24.1151 -5.33256 -24.1151 -50.3115 GPRESSAVG: 1020800 23.7099 27.9834 -9.34544 28.1419 58.2631 -23.8724 -4.07654 -26.8069 -50.3695 TIMING: 1020800 CPU: 2957.71, 0.00289101/step Wall: 2957.71, 0.00289101/step, 3.19553 hours remaining, 205.507812 MB of memory in use. ENERGY: 1020800 769.9283 2101.5080 1920.8941 106.6975 -206006.1869 17553.0153 0.0000 0.0000 34454.6634 -149099.4803 300.9011 -183554.1437 -149004.1395 300.5634 -295.0076 -262.7425 559565.9740 10.6752 10.5345 PRESSURE: 1021000 -169.841 -2.50881 -0.727423 -2.50903 78.7198 -211.09 -0.726489 -211.089 -95.8393 GPRESSURE: 1021000 -167.544 -24.68 -3.65582 -28.0659 113.687 -199.138 -69.0244 -214.675 -46.2266 PRESSAVG: 1021000 -33.8015 -23.4424 3.16977 -23.4424 11.4459 4.80451 3.16975 4.80444 6.81598 GPRESSAVG: 1021000 -33.3261 -21.8869 5.77657 -23.1418 11.687 7.11694 3.65486 3.99005 6.65084 TIMING: 1021000 CPU: 2958.3, 0.00292437/step Wall: 2958.3, 0.00292437/step, 3.23224 hours remaining, 205.542969 MB of memory in use. ENERGY: 1021000 735.4175 2041.3380 1935.4589 110.6898 -206152.8689 17711.3150 0.0000 0.0000 34509.3452 -149109.3044 301.3787 -183618.6496 -149009.9719 300.1023 -62.3201 -33.3610 557903.0186 -5.1799 -4.9961 PRESSURE: 1021200 -148.585 161.572 -36.3027 161.571 -130.423 -84.7607 -36.3038 -84.7602 -80.4805 GPRESSURE: 1021200 -148.546 103.155 40.3806 233.727 -82.4433 -53.23 -52.9041 -138.873 -34.326 PRESSAVG: 1021200 -101.663 33.4075 69.7547 33.4076 35.5799 13.5022 69.7547 13.5021 72.8678 GPRESSAVG: 1021200 -100.72 33.421 70.7793 33.4527 36.2734 9.84033 67.5416 15.6286 71.8703 TIMING: 1021200 CPU: 2958.88, 0.00293619/step Wall: 2958.88, 0.00293619/step, 3.24515 hours remaining, 205.542969 MB of memory in use. ENERGY: 1021200 706.2213 2121.9207 1950.8399 123.7903 -205898.8854 17586.1503 0.0000 0.0000 34352.4317 -149057.5312 300.0083 -183409.9629 -148963.3354 299.9079 -119.8296 -88.4384 559547.5579 2.2615 2.4746 PRESSURE: 1021400 -112.65 -165.022 23.2483 -165.022 27.5332 21.997 23.2491 21.9988 -103.05 GPRESSURE: 1021400 -60.5367 -148.324 79.4197 -227.774 33.8281 -21.2179 17.795 45.0691 -52.5705 PRESSAVG: 1021400 -58.7826 0.829031 -7.08308 0.829004 -46.8453 29.1808 -7.08303 29.1807 70.7393 GPRESSAVG: 1021400 -58.7368 0.0824626 -7.83908 -0.925068 -47.3743 30.8121 -7.11229 28.83 71.6604 TIMING: 1021400 CPU: 2959.47, 0.00291565/step Wall: 2959.47, 0.00291565/step, 3.22228 hours remaining, 205.542969 MB of memory in use. ENERGY: 1021400 728.0109 2049.2016 1965.6236 124.4423 -206205.9240 17763.1974 0.0000 0.0000 34256.0746 -149319.3735 299.1668 -183575.4481 -149218.7427 298.7114 -62.7226 -26.4264 559007.8564 -11.6296 -11.4836 PRESSURE: 1021600 -22.5664 -101.827 80.7454 -101.827 -135.385 44.3451 80.7468 44.3447 239.968 GPRESSURE: 1021600 34.8888 -63.441 105.408 -68.6455 -91.1344 142.934 76.3098 27.3831 248.702 PRESSAVG: 1021600 3.89314 -37.9302 -34.6386 -37.9302 -28.2314 -22.431 -34.6387 -22.4309 8.4755 GPRESSAVG: 1021600 3.4312 -39.7962 -32.2814 -35.4378 -28.8315 -22.1601 -34.99 -22.8238 9.17611 TIMING: 1021600 CPU: 2960.05, 0.00290692/step Wall: 2960.05, 0.00290692/step, 3.21247 hours remaining, 205.542969 MB of memory in use. ENERGY: 1021600 726.5147 2079.8176 1955.4401 115.8111 -206468.3379 17962.1681 0.0000 0.0000 34150.1622 -149478.4241 298.2419 -183628.5863 -149381.1924 297.8336 27.3388 64.1520 558337.8666 -5.2876 -5.4081 PRESSURE: 1021800 128.443 30.7201 -48.1826 30.7197 156.316 133.956 -48.1821 133.956 -124.292 GPRESSURE: 1021800 197.39 59.2611 4.16495 1.7254 124.399 123.347 -8.72846 95.2153 -47.4736 PRESSAVG: 1021800 53.2405 10.8021 0.884005 10.8022 -34.9925 58.9819 0.883951 58.9819 -43.2297 GPRESSAVG: 1021800 52.4844 11.9444 -1.45796 11.1435 -34.0606 59.6024 0.939475 59.0311 -42.477 TIMING: 1021800 CPU: 2960.63, 0.00290726/step Wall: 2960.63, 0.00290726/step, 3.21269 hours remaining, 205.542969 MB of memory in use. ENERGY: 1021800 704.6724 2041.7726 1954.2772 105.1081 -206611.5839 18088.1148 0.0000 0.0000 34376.0984 -149341.5403 300.2150 -183717.6387 -149245.9651 298.4791 53.4889 91.4382 557091.9764 -8.3272 -8.0177 PRESSURE: 1022000 -243.35 -95.899 -125.382 -95.8995 -429.365 -42.3189 -125.383 -42.3187 -254.265 GPRESSURE: 1022000 -165.247 -123.957 -157.192 -32.3589 -422.777 -46.4608 -118.891 26.9138 -237.4 PRESSAVG: 1022000 3.93437 4.11438 0.259874 4.11442 -68.3061 -23.2313 0.259895 -23.2312 -1.99689 GPRESSAVG: 1022000 4.91173 3.95661 -0.590136 3.37914 -68.0407 -24.2994 1.15544 -23.7746 -3.25432 TIMING: 1022000 CPU: 2961.21, 0.00289027/step Wall: 2961.21, 0.00289027/step, 3.19375 hours remaining, 205.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1022000 767.6780 2109.4258 1933.0456 114.5123 -205808.4189 17513.0508 0.0000 0.0000 34091.3045 -149279.4019 297.7278 -183370.7064 -149183.8409 298.3579 -308.9933 -275.1416 559686.4775 -22.1229 -22.1278 PRESSURE: 1022200 108.131 136.347 -96.0976 136.347 137.915 34.5701 -96.0972 34.5705 -12.2546 GPRESSURE: 1022200 174.047 193.679 -98.3455 102.23 91.5945 -82.8298 -67.8567 10.0309 59.9764 PRESSAVG: 1022200 39.3984 -28.7161 -42.8251 -28.7161 3.32608 -1.2672 -42.8251 -1.26723 -13.4176 GPRESSAVG: 1022200 38.0163 -29.2588 -41.9354 -30.1488 3.6937 -2.23108 -43.3112 -0.524366 -12.3595 TIMING: 1022200 CPU: 2961.79, 0.00288574/step Wall: 2961.79, 0.00288574/step, 3.18858 hours remaining, 205.542969 MB of memory in use. ENERGY: 1022200 763.7267 2101.8342 1958.8660 128.0087 -206459.8425 17953.8426 0.0000 0.0000 34379.0507 -149174.5136 300.2408 -183553.5643 -149083.2150 298.9041 77.9304 108.5391 558901.4318 9.7690 9.7835 PRESSURE: 1022400 157.789 127.593 -3.89043 127.592 -144.548 -92.3613 -3.89054 -92.3603 -407.085 GPRESSURE: 1022400 168.467 163.719 -25.0386 89.2654 -150.169 20.3651 -15.2844 -136.12 -315.783 PRESSAVG: 1022400 14.8562 81.705 -47.6039 81.7049 -25.2195 -29.3393 -47.6039 -29.3392 6.32194 GPRESSAVG: 1022400 14.3103 82.5436 -48.6891 82.1483 -24.8189 -27.911 -46.0948 -30.8721 6.66049 TIMING: 1022400 CPU: 2962.36, 0.00287708/step Wall: 2962.36, 0.00287708/step, 3.17886 hours remaining, 205.542969 MB of memory in use. ENERGY: 1022400 723.6877 2087.5217 1963.3719 103.1912 -206116.4330 17796.4702 0.0000 0.0000 34306.5322 -149135.6580 299.6075 -183442.1903 -149040.4124 299.7445 -131.2813 -99.1619 558691.4682 -1.3471 -1.2827 PRESSURE: 1022600 -290.687 115.384 -220.025 115.383 -49.6721 106.831 -220.025 106.83 -330.821 GPRESSURE: 1022600 -260.314 113.667 -223.694 50.7244 2.66831 158.475 -297.729 105.385 -314.586 PRESSAVG: 1022600 -31.9259 19.5056 -1.65077 19.5055 41.117 -18.0639 -1.65082 -18.0639 6.53552 GPRESSAVG: 1022600 -30.5938 18.5449 -1.86742 21.576 41.0351 -20.6512 -1.0632 -14.4107 5.56129 TIMING: 1022600 CPU: 2962.94, 0.00288296/step Wall: 2962.94, 0.00288296/step, 3.18519 hours remaining, 205.542969 MB of memory in use. ENERGY: 1022600 786.5557 2074.2088 1950.1231 128.5441 -206034.2034 17694.9547 0.0000 0.0000 34338.3869 -149061.4300 299.8857 -183399.8169 -148958.3695 299.1756 -223.7264 -190.7441 559064.2585 5.2422 5.3342 PRESSURE: 1022800 64.4377 -211.918 -120.201 -211.918 -73.4802 -41.6459 -120.201 -41.6448 273.244 GPRESSURE: 1022800 83.0004 -218.027 -160.688 -192.337 -43.5955 -68.4446 -99.8494 -12.5229 308.861 PRESSAVG: 1022800 -50.5841 10.4091 -50.9948 10.4091 21.3258 -16.2783 -50.9948 -16.2782 8.67808 GPRESSAVG: 1022800 -50.0724 12.2732 -48.6913 9.59311 20.7219 -13.3472 -52.244 -18.7852 8.35916 TIMING: 1022800 CPU: 2963.52, 0.00290811/step Wall: 2963.52, 0.00290811/step, 3.21282 hours remaining, 205.542969 MB of memory in use. ENERGY: 1022800 710.8571 2075.4135 1951.6500 119.1257 -205976.5546 17888.2299 0.0000 0.0000 34192.4136 -149038.8648 298.6109 -183231.2784 -148944.1337 299.4496 88.0671 116.0888 557955.7891 -6.8601 -6.9971 PRESSURE: 1023000 -227.344 -42.1975 165.718 -42.1986 -184.937 64.788 165.719 64.7873 -182.442 GPRESSURE: 1023000 -286.099 0.661894 85.4848 -72.8063 -155.841 13.0012 197.959 95.7279 -59.8658 PRESSAVG: 1023000 1.69269 -2.85655 23.8347 -2.85663 16.1529 5.46643 23.8347 5.46654 -5.66908 GPRESSAVG: 1023000 1.07115 -5.48616 23.0583 -1.47023 16.9292 3.94786 24.7005 5.54846 -6.48262 TIMING: 1023000 CPU: 2964.1, 0.00288044/step Wall: 2964.1, 0.00288044/step, 3.18209 hours remaining, 205.542969 MB of memory in use. ENERGY: 1023000 733.8661 2057.3137 1941.2969 122.6774 -205801.3391 17517.8944 0.0000 0.0000 34368.4748 -149059.8158 300.1484 -183428.2907 -148958.8669 299.9369 -198.2407 -167.2688 559466.6001 4.0588 3.8393 PRESSURE: 1023200 162.913 11.1033 -67.7628 11.103 -244.396 -5.02655 -67.7631 -5.02557 -51.8815 GPRESSURE: 1023200 186.123 -59.035 28.4776 65.9761 -187.306 51.9485 -57.4348 38.3025 -42.8046 PRESSAVG: 1023200 26.9332 14.1343 2.51023 14.1342 -13.7588 31.9187 2.5101 31.9188 -23.0989 GPRESSAVG: 1023200 27.6615 16.0123 0.744005 12.0989 -13.4486 30.6519 1.2775 33.5233 -24.1835 TIMING: 1023200 CPU: 2964.68, 0.00290687/step Wall: 2964.68, 0.00290687/step, 3.21112 hours remaining, 205.542969 MB of memory in use. ENERGY: 1023200 721.0655 2067.9003 1975.4182 129.7521 -205881.2646 17725.3797 0.0000 0.0000 34422.3534 -148839.3954 300.6190 -183261.7488 -148743.6596 300.0761 -44.4547 -14.6625 559408.8282 -3.3082 -3.3235 PRESSURE: 1023400 14.4426 16.8838 -8.60391 16.8849 14.3451 127.545 -8.60254 127.545 14.4397 GPRESSURE: 1023400 87.8042 -40.2076 14.9603 36.8909 52.9102 22.2494 -75.211 198.774 5.00018 PRESSAVG: 1023400 -7.91021 47.1168 45.73 47.1169 -16.5058 63.6557 45.73 63.6556 43.3813 GPRESSAVG: 1023400 -8.80846 46.9255 47.61 47.3937 -16.3835 64.2322 43.8545 62.1931 44.2609 TIMING: 1023400 CPU: 2965.26, 0.00290451/step Wall: 2965.26, 0.00290451/step, 3.20835 hours remaining, 205.542969 MB of memory in use. ENERGY: 1023400 756.6408 2103.0531 1939.5263 121.3751 -205953.1109 17842.0769 0.0000 0.0000 34268.3471 -148922.0916 299.2740 -183190.4387 -148828.0884 300.4069 14.4091 48.5715 560744.0458 6.3218 6.3563 PRESSURE: 1023600 -115.36 -86.2374 23.7961 -86.2361 -185.783 -189.87 23.7967 -189.869 -167.832 GPRESSURE: 1023600 -34.0065 -122.894 -32.244 -72.7322 -167.794 -167.933 50.5339 -69.6002 -169.984 PRESSAVG: 1023600 -70.062 -26.1992 52.5328 -26.1992 -1.22434 7.70201 52.5327 7.70215 77.7513 GPRESSAVG: 1023600 -68.7843 -25.6395 49.9953 -25.328 -1.76414 8.87387 55.1725 9.02743 76.8693 TIMING: 1023600 CPU: 2965.84, 0.002897/step Wall: 2965.84, 0.002897/step, 3.1999 hours remaining, 205.542969 MB of memory in use. ENERGY: 1023600 776.6005 2096.9777 1915.4908 108.8454 -205868.3568 17700.0088 0.0000 0.0000 34384.0879 -148886.3457 300.2848 -183270.4336 -148789.5299 299.8370 -156.3253 -123.9282 559189.6496 2.1550 2.1069 PRESSURE: 1023800 19.3281 122.077 21.3861 122.077 -265.388 -267.756 21.3852 -267.756 -37.4684 GPRESSURE: 1023800 11.5042 109.562 -49.0787 165.514 -253.294 -258.489 68.8655 -268.477 45.0447 PRESSAVG: 1023800 -47.1059 -0.525922 -1.27647 -0.525865 -8.2767 -70.7 -1.27649 -70.7 7.984 GPRESSAVG: 1023800 -47.735 -1.2362 0.913096 -1.28259 -8.5069 -70.0206 -2.70293 -70.8652 9.15135 TIMING: 1023800 CPU: 2966.42, 0.00291729/step Wall: 2966.42, 0.00291729/step, 3.22215 hours remaining, 205.542969 MB of memory in use. ENERGY: 1023800 756.4195 2146.2939 1931.2072 114.3057 -206116.3777 17722.8709 0.0000 0.0000 34271.7795 -149173.5010 299.3040 -183445.2805 -149077.3095 300.3255 -94.5095 -65.5816 557814.2236 -15.7995 -15.6969 PRESSURE: 1024000 50.939 -78.7973 -47.1871 -78.7974 -192.631 35.2031 -47.1856 35.2017 103.43 GPRESSURE: 1024000 38.8168 -38.1916 -26.3193 -134.296 -94.4124 -48.276 -110.65 56.8533 116.675 PRESSAVG: 1024000 -6.12962 -36.8368 17.5216 -36.8369 -0.767801 -25.9797 17.5216 -25.9797 16.1495 GPRESSAVG: 1024000 -6.55118 -35.411 17.308 -36.5622 -0.346149 -25.9331 17.0916 -28.9187 16.3026 TIMING: 1024000 CPU: 2967, 0.00292213/step Wall: 2967, 0.00292213/step, 3.22733 hours remaining, 205.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1024000 779.1604 2101.8672 1950.0057 98.9155 -206232.2063 17913.7392 0.0000 0.0000 34344.3219 -149044.1963 299.9375 -183388.5182 -148943.8977 299.8066 -12.7538 20.3600 557988.4319 3.0840 3.1351 PRESSURE: 1024200 -77.1237 42.5464 -27.3042 42.5467 -371.861 128.809 -27.3048 128.808 -197.033 GPRESSURE: 1024200 -119.12 -17.8873 11.4412 56.2242 -317.437 83.0382 -99.1971 57.7722 -122.746 PRESSAVG: 1024200 -5.12782 54.3545 24.6242 54.3545 -8.43535 59.9123 24.6241 59.9123 36.9904 GPRESSAVG: 1024200 -5.31022 53.4659 25.1441 56.3946 -8.63686 58.3395 24.5092 61.3501 37.1559 TIMING: 1024200 CPU: 2967.59, 0.00290133/step Wall: 2967.59, 0.00290133/step, 3.20419 hours remaining, 205.542969 MB of memory in use. ENERGY: 1024200 765.3705 2138.6471 1938.5038 121.3006 -205840.3570 17507.9141 0.0000 0.0000 34128.8010 -149239.8200 298.0553 -183368.6210 -149139.5191 299.4264 -215.3391 -186.4342 557696.4758 7.8091 7.7363 LDB: ============= START OF LOAD BALANCING ============== 2970.97 LDB: ============== END OF LOAD BALANCING =============== 2970.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2970.97 LDB: ============= START OF LOAD BALANCING ============== 2971.26 LDB: Largest compute 4820 load 0.022683 is 19.2% of average load 0.117982 LDB: Average compute 0.001701 is 1.4% of average load 0.117982 LDB: TIME 2971.27 LOAD: AVG 0.117982 MAX 0.18487 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 2971.27 LOAD: AVG 0.117982 MAX 0.18487 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: TIME 2971.27 LOAD: AVG 0.117982 MAX 0.18487 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: ============== END OF LOAD BALANCING =============== 2971.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2971.27 PRESSURE: 1024400 -51.859 109.399 -53.5999 109.398 118.169 -54.4565 -53.5993 -54.4579 151.381 GPRESSURE: 1024400 -25.4295 86.9939 -88.4705 97.4606 188.456 -33.0314 -61.319 13.8098 165.576 PRESSAVG: 1024400 22.4906 -2.50823 -8.11538 -2.50819 -73.8715 7.91 -8.11537 7.90998 46.8502 GPRESSAVG: 1024400 23.2453 -0.515994 -10.3845 -3.39968 -73.7994 9.75666 -6.44406 6.55182 45.6645 TIMING: 1024400 CPU: 2968.18, 0.00295826/step Wall: 2968.18, 0.00295826/step, 3.2669 hours remaining, 207.582031 MB of memory in use. ENERGY: 1024400 759.1326 2102.0035 1951.2118 114.5250 -206281.5682 17978.5206 0.0000 0.0000 34440.3192 -148935.8555 300.7759 -183376.1747 -148835.2091 299.3803 72.5635 109.5341 557896.6524 -1.5102 -1.6299 PRESSURE: 1024600 -112.312 -35.0691 -9.76115 -35.0694 -83.3097 -20.7687 -9.76261 -20.7705 145.454 GPRESSURE: 1024600 -67.9752 43.2175 13.6987 -46.4233 -81.0615 -14.7829 -43.8071 -73.2305 196.784 PRESSAVG: 1024600 -5.15308 -6.47847 32.6021 -6.47836 10.5438 16.5609 32.6021 16.5609 26.2471 GPRESSAVG: 1024600 -6.07199 -7.75603 33.9066 -5.87061 9.92183 15.0612 30.269 17.2568 27.5855 TIMING: 1024600 CPU: 2968.76, 0.00290895/step Wall: 2968.76, 0.00290895/step, 3.21229 hours remaining, 208.042969 MB of memory in use. ENERGY: 1024600 766.5055 2118.7215 1969.5026 110.8308 -206137.5480 17914.1213 0.0000 0.0000 34209.7345 -149048.1318 298.7621 -183257.8664 -148950.2793 300.2446 -16.7227 15.9157 558915.4066 10.5459 10.4784 PRESSURE: 1024800 17.1059 19.9196 52.0897 19.9212 55.0215 111.697 52.0899 111.697 -23.7055 GPRESSURE: 1024800 22.7413 -19.0796 -37.504 -38.043 137.974 56.912 72.5587 180.568 -10.0971 PRESSAVG: 1024800 10.2175 -33.3654 11.8695 -33.3653 -12.9603 9.79709 11.8696 9.79717 59.3694 GPRESSAVG: 1024800 9.34635 -33.6197 12.2897 -32.9206 -12.9264 10.0795 14.0502 11.0851 59.7644 TIMING: 1024800 CPU: 2969.34, 0.00288472/step Wall: 2969.34, 0.00288472/step, 3.18537 hours remaining, 208.042969 MB of memory in use. ENERGY: 1024800 790.6352 2109.0829 1978.5936 117.0471 -206376.1645 18030.0747 0.0000 0.0000 34459.9700 -148890.7610 300.9475 -183350.7310 -148793.4777 299.8503 16.1406 50.2062 558231.6370 18.8755 18.7281 PRESSURE: 1025000 -209.116 31.3421 -57.5168 31.3427 -144.484 -44.8785 -57.5166 -44.879 -239.168 GPRESSURE: 1025000 -220.385 -62.6502 -72.6939 64.7773 -84.5923 -37.3399 -98.9459 -15.4127 -192.926 PRESSAVG: 1025000 21.5178 -16.1743 -18.901 -16.1743 7.90522 24.0981 -18.901 24.0981 -1.31341 GPRESSAVG: 1025000 23.4445 -16.7078 -21.6045 -18.1366 7.36472 25.0295 -17.358 23.2932 -2.13305 TIMING: 1025000 CPU: 2969.91, 0.00288265/step Wall: 2969.91, 0.00288265/step, 3.18293 hours remaining, 208.042969 MB of memory in use. ENERGY: 1025000 781.8339 2086.2399 1946.1600 119.4148 -206126.1467 17747.3881 0.0000 0.0000 34528.0471 -148917.0629 301.5420 -183445.1099 -148823.7710 300.3343 -197.5894 -165.9679 558803.7244 9.3699 9.5587 PRESSURE: 1025200 -320.202 -90.9909 -39.8345 -90.9909 -97.486 51.7055 -39.8346 51.707 -530.519 GPRESSURE: 1025200 -271.039 -133.432 -67.3715 -62.7797 -58.546 69.9283 11.3061 30.1294 -528.2 PRESSAVG: 1025200 28.1427 8.35542 -34.9049 8.35542 27.1665 -23.9111 -34.905 -23.9112 -25.6232 GPRESSAVG: 1025200 26.1122 8.28227 -33.766 8.33525 27.2077 -26.0662 -36.4543 -23.3178 -24.269 TIMING: 1025200 CPU: 2970.49, 0.00289637/step Wall: 2970.49, 0.00289637/step, 3.19791 hours remaining, 208.042969 MB of memory in use. ENERGY: 1025200 755.9205 2127.1431 1928.6516 125.5152 -205392.5950 17363.6031 0.0000 0.0000 34216.4088 -148875.3526 298.8204 -183091.7615 -148780.3867 300.1015 -316.0692 -285.9282 559162.7878 9.8954 9.6836 PRESSURE: 1025400 144.711 -179.35 -15.1194 -179.348 -82.3564 -24.1986 -15.1177 -24.1991 -92.1445 GPRESSURE: 1025400 124.927 -138.703 29.8765 -145.603 6.93099 -51.0522 64.3317 -32.7144 -71.7306 PRESSAVG: 1025400 -17.1892 22.1984 -11.9851 22.1984 -53.6132 -28.1464 -11.985 -28.1463 78.375 GPRESSAVG: 1025400 -16.673 23.2195 -12.7117 24.1646 -53.467 -26.7551 -9.72253 -26.2093 77.4706 TIMING: 1025400 CPU: 2971.07, 0.00290432/step Wall: 2971.07, 0.00290432/step, 3.20653 hours remaining, 208.042969 MB of memory in use. ENERGY: 1025400 738.8055 2097.6153 1943.2058 124.8466 -206055.6721 17810.3993 0.0000 0.0000 34232.2307 -149108.5690 298.9586 -183340.7997 -149023.4957 300.0880 -9.9300 20.0426 557561.7676 2.5242 2.4435 PRESSURE: 1025600 -428.797 -227.761 -84.9083 -227.762 -354.964 152.528 -84.9086 152.526 -185.994 GPRESSURE: 1025600 -435.489 -219.595 -147.696 -137.099 -293.916 119.553 43.5761 103.52 -151.812 PRESSAVG: 1025600 -34.4639 3.52399 26.6958 3.52387 36.4165 -30.0326 26.6958 -30.0327 -14.329 GPRESSAVG: 1025600 -34.462 4.54473 27.183 1.91723 37.1747 -28.2182 24.206 -32.7933 -15.0247 TIMING: 1025600 CPU: 2971.66, 0.00292235/step Wall: 2971.66, 0.00292235/step, 3.22628 hours remaining, 208.042969 MB of memory in use. ENERGY: 1025600 736.9693 2079.8139 1954.6529 111.7369 -205706.8349 17306.6683 0.0000 0.0000 34354.0302 -149162.9634 300.0223 -183516.9936 -149057.3637 299.2046 -323.2519 -293.7390 558635.1935 -4.1255 -4.1040 PRESSURE: 1025800 34.9711 -12.1407 -157.269 -12.1397 133.648 15.2257 -157.268 15.2231 63.1589 GPRESSURE: 1025800 48.1295 -36.1588 -129.916 35.8523 180.455 5.81476 -254.15 48.0554 101.242 PRESSAVG: 1025800 -18.8168 -79.454 -11.8053 -79.4539 -15.2268 1.99804 -11.8053 1.99821 3.16639 GPRESSAVG: 1025800 -18.3414 -81.2012 -11.5091 -78.4032 -14.9499 1.61768 -11.4696 2.92803 2.54772 TIMING: 1025800 CPU: 2972.24, 0.002909/step Wall: 2972.24, 0.002909/step, 3.21138 hours remaining, 208.042969 MB of memory in use. ENERGY: 1025800 736.5888 2065.7833 1911.1282 110.1187 -206193.4575 17881.9584 0.0000 0.0000 34303.5239 -149184.3562 299.5812 -183487.8801 -149094.6850 298.9350 77.2593 109.9423 557188.8419 -10.2924 -10.2479 PRESSURE: 1026000 154.872 -210.792 223.288 -210.793 115.01 -95.3081 223.288 -95.3091 -226.115 GPRESSURE: 1026000 184.868 -211.579 267.32 -241.458 135.086 -124.748 214.39 -102.287 -172.095 PRESSAVG: 1026000 48.772 -42.6539 7.64971 -42.654 -5.11049 42.3805 7.64972 42.3805 -16.7278 GPRESSAVG: 1026000 49.8592 -41.668 7.37737 -42.5171 -7.24528 41.1885 9.43863 41.4816 -16.3767 TIMING: 1026000 CPU: 2972.82, 0.002918/step Wall: 2972.82, 0.002918/step, 3.22115 hours remaining, 208.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1026000 763.3966 2062.5114 1960.0774 115.7265 -206113.9876 17811.1857 0.0000 0.0000 34162.4229 -149238.6669 298.3489 -183401.0899 -149147.7874 298.6898 14.5888 49.2863 557409.9349 8.9779 8.7457 PRESSURE: 1026200 130.365 -39.0874 67.2773 -39.0883 131.091 124.463 67.277 124.463 48.1695 GPRESSURE: 1026200 155.333 -10.9899 32.0174 -104.211 137.961 202.947 32.8452 127.767 113.113 PRESSAVG: 1026200 30.9151 -47.7703 43.6907 -47.7703 -19.5038 22.104 43.6906 22.1041 -24.6417 GPRESSAVG: 1026200 29.9401 -48.2969 45.4115 -49.8003 -19.0639 21.225 42.419 22.2602 -23.7952 TIMING: 1026200 CPU: 2973.4, 0.00290723/step Wall: 2973.4, 0.00290723/step, 3.20909 hours remaining, 208.109375 MB of memory in use. ENERGY: 1026200 736.5990 2087.1715 1961.4765 110.3797 -206276.5557 17916.0369 0.0000 0.0000 34323.6795 -149141.2125 299.7572 -183464.8920 -149049.0955 300.0032 103.2086 135.4688 557976.0001 -4.4101 -4.3063 PRESSURE: 1026400 155.318 -39.0915 94.1647 -39.0919 -90.9756 -111.963 94.1643 -111.963 91.4126 GPRESSURE: 1026400 212.393 -44.9359 -10.8944 -44.8337 -67.3916 -106.055 193.722 -148.893 113.238 PRESSAVG: 1026400 -21.2137 -69.466 36.824 -69.4661 -41.0108 -5.34197 36.824 -5.34201 72.2486 GPRESSAVG: 1026400 -20.5323 -67.5975 37.0196 -69.6726 -41.3764 -4.23827 36.3261 -4.98865 72.2524 TIMING: 1026400 CPU: 2973.99, 0.00292885/step Wall: 2973.99, 0.00292885/step, 3.2328 hours remaining, 208.109375 MB of memory in use. ENERGY: 1026400 746.6388 2093.3713 1956.5542 109.3609 -206236.2987 18013.2346 0.0000 0.0000 34308.5268 -149008.6121 299.6249 -183317.1389 -148916.2752 299.9487 51.9183 86.0798 559294.2940 3.3414 3.4479 PRESSURE: 1026600 252.759 4.38451 82.0865 4.38451 216.825 51.501 82.0873 51.4998 79.5301 GPRESSURE: 1026600 253.583 -18.5464 107.416 -70.2554 305.185 56.3073 112.005 74.4426 68.4651 PRESSAVG: 1026600 -11.4938 19.2368 72.3485 19.2369 97.4332 9.68413 72.3484 9.68399 -68.4304 GPRESSAVG: 1026600 -13.1543 17.4289 71.9584 19.2813 98.6031 8.1568 74.0762 11.1259 -67.8426 TIMING: 1026600 CPU: 2974.57, 0.00292521/step Wall: 2974.57, 0.00292521/step, 3.22862 hours remaining, 208.109375 MB of memory in use. ENERGY: 1026600 735.6131 2095.5749 1982.8723 120.1209 -206404.7263 17966.8154 0.0000 0.0000 34391.2043 -149112.5254 300.3469 -183503.7297 -149016.3931 299.9614 183.0381 209.0778 557948.6927 5.8363 5.8688 PRESSURE: 1026800 -106.428 -57.9538 76.6957 -57.9528 114.992 137.104 76.6959 137.102 24.5195 GPRESSURE: 1026800 -40.2227 -0.451171 1.86952 -36.0809 174.761 221.45 179.439 58.3987 2.52969 PRESSAVG: 1026800 -25.5719 -20.5493 11.2457 -20.5493 33.0701 -4.47555 11.2458 -4.47555 -7.10511 GPRESSAVG: 1026800 -23.7939 -20.5088 9.13155 -20.6292 32.4141 -3.03996 11.4385 -6.50195 -8.42454 TIMING: 1026800 CPU: 2975.15, 0.00289354/step Wall: 2975.15, 0.00289354/step, 3.19351 hours remaining, 208.109375 MB of memory in use. ENERGY: 1026800 720.2890 2146.8528 1952.8622 128.5378 -206119.0787 17608.4772 0.0000 0.0000 34449.0947 -149112.9650 300.8525 -183562.0597 -149023.0826 299.5171 11.0278 45.6894 557073.7201 0.1310 0.0652 PRESSURE: 1027000 -49.0986 138.227 -34.3988 138.226 -338.486 -89.578 -34.3993 -89.5789 -126.326 GPRESSURE: 1027000 -62.1419 130.16 52.1777 133.356 -349.201 14.9384 -33.2022 -118.079 -2.39588 PRESSAVG: 1027000 -32.1316 -13.0517 30.8025 -13.0518 -26.114 -5.86016 30.8025 -5.86022 84.1272 GPRESSAVG: 1027000 -34.2723 -12.607 31.9925 -10.6918 -25.3116 -5.64613 28.6726 -4.11129 85.4468 TIMING: 1027000 CPU: 2975.74, 0.00291305/step Wall: 2975.74, 0.00291305/step, 3.21487 hours remaining, 208.109375 MB of memory in use. ENERGY: 1027000 780.1334 2064.9367 1932.5121 134.8708 -205580.1043 17472.8877 0.0000 0.0000 34162.0762 -149032.6875 298.3459 -183194.7637 -148934.7326 299.9661 -171.3036 -137.9128 559499.4370 8.6272 8.6210 PRESSURE: 1027200 -56.4439 98.0084 -115.174 98.0086 49.7132 -61.8992 -115.171 -61.9019 -95.227 GPRESSURE: 1027200 -42.0812 115.032 -194.367 -18.3369 130.081 -92.7355 -129.67 51.2921 -87.8545 PRESSAVG: 1027200 -24.5837 -11.6982 -27.7522 -11.6981 37.657 17.8355 -27.7521 17.8355 14.9446 GPRESSAVG: 1027200 -23.4133 -14.8658 -25.8089 -11.3205 36.776 17.4317 -28.8835 17.4638 14.561 TIMING: 1027200 CPU: 2976.32, 0.00290451/step Wall: 2976.32, 0.00290451/step, 3.20528 hours remaining, 208.109375 MB of memory in use. ENERGY: 1027200 722.4524 2092.1148 1951.0023 120.4323 -205801.8390 17564.4192 0.0000 0.0000 34270.6481 -149080.7699 299.2941 -183351.4180 -148976.9412 299.4088 -33.9859 0.0483 557786.1094 9.3393 9.3079 PRESSURE: 1027400 42.6435 117.586 -150.623 117.587 93.8263 -38.397 -150.623 -38.3956 -12.6171 GPRESSURE: 1027400 59.0119 163.051 -69.2645 129.829 122.345 -23.1915 -198.095 -89.9047 35.9377 PRESSAVG: 1027400 -46.6 12.3505 -42.1458 12.3507 42.3879 -10.5137 -42.1458 -10.5137 -11.4933 GPRESSAVG: 1027400 -47.7526 12.107 -43.367 12.3931 43.0992 -9.58997 -40.9004 -12.0707 -11.2097 TIMING: 1027400 CPU: 2976.9, 0.00291085/step Wall: 2976.9, 0.00291085/step, 3.21212 hours remaining, 208.109375 MB of memory in use. ENERGY: 1027400 729.2371 2087.1123 1956.8243 123.6134 -205870.9762 17687.6264 0.0000 0.0000 34287.4498 -148999.1128 299.4408 -183286.5626 -148902.2396 300.2430 41.2842 72.4314 559441.4070 -5.2351 -5.2877 PRESSURE: 1027600 -89.6686 212.135 183.069 212.135 -120.174 137.198 183.068 137.2 -299.087 GPRESSURE: 1027600 -24.7569 154.018 184.556 152.971 -138.548 123.609 210.177 103.284 -260.517 PRESSAVG: 1027600 46.8611 -18.0039 26.6198 -18.004 -86.0631 14.9425 26.6198 14.9425 26.4031 GPRESSAVG: 1027600 46.9228 -16.3078 26.2431 -20.8575 -85.9904 14.788 27.6424 15.6824 26.0411 TIMING: 1027600 CPU: 2977.48, 0.00291922/step Wall: 2977.48, 0.00291922/step, 3.22119 hours remaining, 208.109375 MB of memory in use. ENERGY: 1027600 742.8891 2070.4184 1918.8398 114.2041 -205654.9409 17405.3168 0.0000 0.0000 34358.1406 -149045.1321 300.0582 -183403.2727 -148955.0077 299.5544 -169.6432 -141.2739 559245.7685 -4.2663 -4.3422 PRESSURE: 1027800 105.149 -110.035 57.2314 -110.036 231.245 -17.8699 57.2308 -17.87 184.304 GPRESSURE: 1027800 164.056 -17.6528 63.1851 -135.465 299.02 4.37511 50.3606 -39.7378 160.247 PRESSAVG: 1027800 1.65138 -4.62843 4.60368 -4.62845 16.723 23.7679 4.60371 23.7678 -30.9165 GPRESSAVG: 1027800 2.17787 -3.07024 5.43915 -4.16401 16.9065 21.6744 3.7028 25.9838 -30.8466 TIMING: 1027800 CPU: 2978.07, 0.00292242/step Wall: 2978.07, 0.00292242/step, 3.22457 hours remaining, 208.109375 MB of memory in use. ENERGY: 1027800 744.1430 2113.1220 1937.3756 109.0125 -206359.1350 18028.3549 0.0000 0.0000 34408.0619 -149019.0651 300.4942 -183427.1269 -148920.0271 299.5620 173.5661 207.7739 556666.8692 -4.1807 -3.9207 PRESSURE: 1028000 -153.974 -65.7337 -26.7268 -65.7339 -3.28221 161.665 -26.7263 161.664 62.8658 GPRESSURE: 1028000 -95.586 21.8953 -81.1783 -86.8413 51.7297 172.322 -83.7686 199.961 53.5495 PRESSAVG: 1028000 -71.3488 -5.85685 -7.84124 -5.85672 -11.4876 -36.9944 -7.84132 -36.9945 77.3479 GPRESSAVG: 1028000 -70.4047 -5.94987 -9.12143 -4.4774 -11.4135 -34.7617 -7.55387 -39.8017 76.4347 TIMING: 1028000 CPU: 2978.64, 0.00288278/step Wall: 2978.64, 0.00288278/step, 3.18067 hours remaining, 208.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1028000 755.4174 2051.3719 1929.4422 116.5917 -206234.1860 17940.9897 0.0000 0.0000 34461.0066 -148979.3664 300.9565 -183440.3730 -148884.6852 299.5246 -31.4635 3.2311 557792.8440 -1.8295 -1.7945 PRESSURE: 1028200 147.653 49.8438 -19.1675 49.8454 172.196 115.961 -19.1683 115.96 169.078 GPRESSURE: 1028200 159.075 55.3527 -84.5193 18.1058 242.276 90.7564 39.6304 11.978 181.644 PRESSAVG: 1028200 -30.9793 -20.0766 -40.9468 -20.0766 -11.7074 10.8572 -40.9468 10.8571 78.7081 GPRESSAVG: 1028200 -31.9774 -20.2546 -41.122 -19.6702 -11.0397 9.62787 -41.2157 13.2746 78.9491 TIMING: 1028200 CPU: 2979.22, 0.00288689/step Wall: 2979.22, 0.00288689/step, 3.18505 hours remaining, 208.109375 MB of memory in use. ENERGY: 1028200 750.7009 2133.9834 1936.3646 126.1098 -206387.1522 18218.4043 0.0000 0.0000 34359.3104 -148862.2787 300.0684 -183221.5891 -148761.3536 299.7570 162.9759 194.3316 557143.5064 12.0071 11.9773 LDB: ============= START OF LOAD BALANCING ============== 2982.61 LDB: ============== END OF LOAD BALANCING =============== 2982.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2982.61 LDB: ============= START OF LOAD BALANCING ============== 2982.9 LDB: Largest compute 4820 load 0.024059 is 20.4% of average load 0.118039 LDB: Average compute 0.001709 is 1.4% of average load 0.118039 LDB: TIME 2982.9 LOAD: AVG 0.118039 MAX 0.185525 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.812 MB LDB: TIME 2982.9 LOAD: AVG 0.118039 MAX 0.185525 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: TIME 2982.9 LOAD: AVG 0.118039 MAX 0.185525 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2982.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2982.91 PRESSURE: 1028400 -201.355 -26.1388 47.3302 -26.1393 -121.686 -26.7217 47.3307 -26.7211 169.184 GPRESSURE: 1028400 -90.9269 -18.5381 25.9022 37.4995 -140.697 -6.86282 7.5099 -48.4495 183.281 PRESSAVG: 1028400 -57.3246 8.35703 -54.759 8.35712 45.157 -21.6478 -54.759 -21.6477 30.1308 GPRESSAVG: 1028400 -57.7239 7.10478 -54.7944 8.99305 45.0186 -20.261 -53.8062 -24.2113 30.0139 TIMING: 1028400 CPU: 2979.81, 0.00294219/step Wall: 2979.81, 0.00294219/step, 3.24589 hours remaining, 207.765625 MB of memory in use. ENERGY: 1028400 769.2878 2054.3612 1949.5831 117.6811 -205841.9464 17720.2535 0.0000 0.0000 34404.9262 -148825.8536 300.4668 -183230.7798 -148731.4313 300.3815 -51.2855 -16.1144 556489.4234 5.9877 5.7696 PRESSURE: 1028600 137.807 -90.6334 6.81986 -90.6332 -169.898 32.4025 6.81931 32.4025 57.2141 GPRESSURE: 1028600 164.618 -76.0585 14.8633 -196.909 -77.2042 -6.24223 -108.025 183.744 44.7424 PRESSAVG: 1028600 -24.3022 -7.66995 -38.1056 -7.67004 -38.7896 60.1778 -38.1056 60.1778 -14.2227 GPRESSAVG: 1028600 -23.9941 -7.5461 -38.289 -8.25564 -38.6037 59.1682 -37.9273 62.6807 -14.2257 TIMING: 1028600 CPU: 2980.38, 0.00287239/step Wall: 2980.38, 0.00287238/step, 3.16872 hours remaining, 207.968750 MB of memory in use. ENERGY: 1028600 778.6691 2150.5585 1935.7922 113.1602 -205945.0089 17770.2495 0.0000 0.0000 34336.2099 -148860.3696 299.8667 -183196.5795 -148771.0661 300.6501 8.3744 44.0522 557445.8733 -25.7715 -25.6078 PRESSURE: 1028800 -159.081 -44.4325 39.1202 -44.4318 -144.592 -163.031 39.1203 -163.031 -27.2574 GPRESSURE: 1028800 -157.413 13.4206 54.0405 -32.8731 -74.6602 -106.392 1.81674 -220.117 7.66488 PRESSAVG: 1028800 28.1052 38.3608 18.2166 38.3608 -8.967 1.87186 18.2165 1.8718 2.07744 GPRESSAVG: 1028800 28.1238 40.8363 19.7498 36.3392 -9.24322 2.99064 18.7772 1.00284 1.96021 TIMING: 1028800 CPU: 2980.96, 0.0028874/step Wall: 2980.96, 0.0028874/step, 3.18512 hours remaining, 207.968750 MB of memory in use. ENERGY: 1028800 761.6010 2096.2808 1923.6684 107.7704 -206026.3555 17706.1150 0.0000 0.0000 34414.9976 -149015.9224 300.5547 -183430.9200 -148924.4481 300.7873 -110.3102 -74.8029 557454.9848 7.0719 6.9469 PRESSURE: 1029000 -180.314 68.2829 162.209 68.2828 -174.226 46.8033 162.208 46.8042 5.47198 GPRESSURE: 1029000 -229.302 154.626 146.849 56.7905 -119.562 26.6069 108.554 131.763 92.4818 PRESSAVG: 1029000 -12.1301 25.6623 23.2059 25.6624 -10.4127 50.1072 23.206 50.1073 23.1517 GPRESSAVG: 1029000 -11.6116 22.7747 23.9644 28.6065 -10.9132 48.9412 20.499 50.3497 23.1513 TIMING: 1029000 CPU: 2981.54, 0.00291505/step Wall: 2981.54, 0.00291505/step, 3.21546 hours remaining, 208.023438 MB of memory in use. ENERGY: 1029000 752.7705 2109.2025 1940.7070 106.6412 -205794.1626 17529.0735 0.0000 0.0000 34504.1783 -148851.5896 301.3336 -183355.7679 -148755.3211 300.2732 -116.3560 -85.4608 557327.4479 0.2030 0.2088 PRESSURE: 1029200 -14.1099 139.461 94.9476 139.461 186.341 -118.679 94.9476 -118.68 10.4394 GPRESSURE: 1029200 24.148 157.781 106.763 105.908 178.689 -145.52 29.1072 -53.1232 81.3989 PRESSAVG: 1029200 32.2086 79.9147 16.7305 79.9146 11.0841 -3.96287 16.7304 -3.96278 46.3232 GPRESSAVG: 1029200 32.1236 82.6679 15.6234 77.292 11.25 -4.14465 19.3315 -4.23999 45.8097 TIMING: 1029200 CPU: 2982.13, 0.00290531/step Wall: 2982.13, 0.00290531/step, 3.20456 hours remaining, 208.023438 MB of memory in use. ENERGY: 1029200 740.4082 2045.6096 1939.0639 113.5938 -206055.4208 17650.5172 0.0000 0.0000 34741.2731 -148824.9550 303.4042 -183566.2280 -148727.0626 301.0003 60.8902 94.7454 556468.9752 29.8720 29.7278 PRESSURE: 1029400 -17.0885 -55.8177 30.568 -55.8195 -8.97157 46.2813 30.5688 46.2797 71.9649 GPRESSURE: 1029400 11.8624 -48.3722 76.3288 -15.3253 0.0324352 -14.5972 -12.2392 81.4847 121.783 PRESSAVG: 1029400 39.2831 8.02793 -28.1395 8.02791 -12.5245 -8.13487 -28.1395 -8.13499 -13.1463 GPRESSAVG: 1029400 39.8191 6.72944 -27.6591 9.06081 -12.5586 -7.69741 -28.9634 -7.82406 -13.1918 TIMING: 1029400 CPU: 2982.71, 0.00293438/step Wall: 2982.71, 0.00293438/step, 3.23646 hours remaining, 208.023438 MB of memory in use. ENERGY: 1029400 742.6314 2030.7561 1913.0812 124.1418 -205802.3507 17778.2530 0.0000 0.0000 34381.9160 -148831.5712 300.2658 -183213.4873 -148729.5595 300.2883 15.3016 44.5592 558625.6234 4.5374 4.6896 PRESSURE: 1029600 -46.6991 97.2764 0.835894 97.2765 -292.971 22.0655 0.834176 22.0654 -13.665 GPRESSURE: 1029600 -16.2674 186.965 -21.9354 90.7782 -256.958 36.2502 39.9152 11.4635 8.59477 PRESSAVG: 1029600 22.8101 -1.35569 -39.1969 -1.35565 -60.699 46.2066 -39.1969 46.2065 39.6466 GPRESSAVG: 1029600 21.8472 -2.45043 -40.5239 -0.0888781 -60.6063 45.9956 -38.8207 46.8254 40.2097 TIMING: 1029600 CPU: 2983.3, 0.0029289/step Wall: 2983.3, 0.0029289/step, 3.23025 hours remaining, 208.023438 MB of memory in use. ENERGY: 1029600 754.8231 2089.0313 1943.4160 115.2175 -205702.3668 17559.3920 0.0000 0.0000 34413.3402 -148827.1466 300.5403 -183240.4868 -148727.6576 299.8671 -117.7784 -88.2102 558796.8073 0.5859 0.4835 PRESSURE: 1029800 194.688 -62.6725 12.5298 -62.6742 0.0967313 -97.0376 12.5305 -97.0372 31.9343 GPRESSURE: 1029800 228.886 -1.96894 8.3007 -65.3829 66.2454 -158.61 -18.2594 -41.9106 30.1659 PRESSAVG: 1029800 -23.5478 71.4735 -12.7829 71.4735 -37.6963 -46.8084 -12.7829 -46.8085 37.9041 GPRESSAVG: 1029800 -22.6728 70.7325 -13.0168 71.4369 -37.5208 -44.8949 -12.1754 -47.9455 36.798 TIMING: 1029800 CPU: 2983.89, 0.00293835/step Wall: 2983.89, 0.00293835/step, 3.24051 hours remaining, 208.023438 MB of memory in use. ENERGY: 1029800 741.2909 2088.6091 1921.6618 122.2244 -205756.6281 17652.9981 0.0000 0.0000 34417.1941 -148812.6497 300.5739 -183229.8438 -148721.2171 299.6282 75.5731 108.4323 558573.8494 -7.7800 -7.7985 PRESSURE: 1030000 -222.975 7.99311 -36.9596 7.99228 -9.8896 14.6828 -36.959 14.6825 -8.03825 GPRESSURE: 1030000 -193.854 42.6455 -50.7819 11.0809 45.6415 -11.0426 -60.9827 110.459 -11.8291 PRESSAVG: 1030000 2.49295 19.3853 -79.7074 19.3853 -7.83112 -58.1022 -79.7073 -58.1023 6.30605 GPRESSAVG: 1030000 2.77535 19.7377 -80.3863 17.7267 -9.208 -58.2567 -79.7937 -59.0394 6.55633 TIMING: 1030000 CPU: 2984.47, 0.00290203/step Wall: 2984.47, 0.00290203/step, 3.2003 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1030000 762.9906 2162.3111 1936.3045 116.1246 -205654.7507 17469.3894 0.0000 0.0000 34392.2616 -148815.3689 300.3562 -183207.6305 -148716.2315 300.2690 -80.3009 -53.3471 557484.0706 0.3226 0.0412 PRESSURE: 1030200 -358.584 241.253 -112.558 241.253 -204.736 -12.1922 -112.559 -12.1928 -400.286 GPRESSURE: 1030200 -339.667 236.832 -140.053 262.816 -181.426 -55.6855 -94.9341 58.7274 -347.412 PRESSAVG: 1030200 -10.5159 68.2827 15.6084 68.2826 -13.09 22.3003 15.6085 22.3002 25.4212 GPRESSAVG: 1030200 -10.9669 69.0962 16.4869 69.6428 -12.4278 21.1002 15.7206 23.8293 25.2502 TIMING: 1030200 CPU: 2985.04, 0.00288714/step Wall: 2985.04, 0.00288714/step, 3.18372 hours remaining, 208.023438 MB of memory in use. ENERGY: 1030200 731.1360 2056.2323 1942.5930 133.1066 -205236.8491 17123.4368 0.0000 0.0000 34427.5456 -148822.7988 300.6643 -183250.3444 -148724.4883 300.5156 -321.2020 -289.5017 558218.4393 0.6051 0.6185 PRESSURE: 1030400 143.303 -32.1645 148.886 -32.1627 -112.608 -157.331 148.886 -157.331 388.291 GPRESSURE: 1030400 185.192 -115.434 162.421 -10.3777 -70.9 -165.977 83.4266 -134.177 396.403 PRESSAVG: 1030400 51.4 7.64543 -13.8131 7.64549 -12.2741 20.3099 -13.8131 20.3098 1.67501 GPRESSAVG: 1030400 52.2281 7.42389 -13.6753 7.10952 -12.7477 19.3803 -14.0584 18.949 1.57628 TIMING: 1030400 CPU: 2985.62, 0.00289967/step Wall: 2985.62, 0.00289967/step, 3.19737 hours remaining, 208.023438 MB of memory in use. ENERGY: 1030400 774.8888 2170.6599 1920.7700 121.3864 -206051.5408 17897.4790 0.0000 0.0000 34381.6411 -148784.7155 300.2634 -183166.3566 -148689.2930 300.7722 139.6623 170.2318 557505.4190 13.6003 13.6856 PRESSURE: 1030600 4.3358 79.393 -153.713 79.3913 -195.584 77.7523 -153.713 77.7527 90.0579 GPRESSURE: 1030600 22.7192 90.6556 -87.996 90.2677 -155.835 61.4102 -171.307 108.798 115.582 PRESSAVG: 1030600 38.1859 1.56414 -2.14436 1.56402 -13.2002 11.6309 -2.14446 11.6308 -12.3895 GPRESSAVG: 1030600 36.7159 2.0664 -1.44754 -1.08764 -13.5528 12.7975 -3.33102 12.219 -10.6071 TIMING: 1030600 CPU: 2986.21, 0.00290726/step Wall: 2986.21, 0.00290726/step, 3.20558 hours remaining, 208.023438 MB of memory in use. ENERGY: 1030600 766.6406 2103.3907 1923.4385 114.8520 -205910.6740 17732.9886 0.0000 0.0000 34518.0533 -148751.3103 301.4547 -183269.3636 -148656.0452 300.6641 -33.7303 -5.8445 557272.9099 4.1987 4.1853 PRESSURE: 1030800 -156.957 -34.9979 -62.8438 -34.9984 -88.2594 -45.3448 -62.8439 -45.3465 151.394 GPRESSURE: 1030800 -86.1803 -85.1133 -10.2734 29.8101 -24.3368 -96.8166 -120.332 39.7524 118.856 PRESSAVG: 1030800 0.0422694 -35.7845 -27.5868 -35.7846 -8.20712 -2.40717 -27.5867 -2.40727 -0.327464 GPRESSAVG: 1030800 2.58977 -36.1513 -28.2413 -35.616 -8.00054 -3.19891 -25.8134 -1.88061 -2.80182 TIMING: 1030800 CPU: 2986.79, 0.00290768/step Wall: 2986.79, 0.00290768/step, 3.20588 hours remaining, 208.023438 MB of memory in use. ENERGY: 1030800 694.1784 2086.9897 1973.3362 117.6788 -205751.8372 17578.4283 0.0000 0.0000 34282.1297 -149019.0961 299.3944 -183301.2258 -148922.5442 300.3145 -31.2742 2.7796 557818.8354 -2.8308 -2.7375 PRESSURE: 1031000 69.7308 -61.4163 -63.0418 -61.4171 -369.688 -41.7698 -63.0419 -41.7701 -44.4827 GPRESSURE: 1031000 66.2922 -124.493 -56.2689 2.54147 -341.864 -4.51223 -73.0833 26.8527 24.4165 PRESSAVG: 1031000 50.2245 -31.8892 -47.3154 -31.8893 -64.7634 -10.3094 -47.3155 -10.3093 8.08892 GPRESSAVG: 1031000 47.9708 -32.5781 -45.8391 -31.3213 -63.8845 -9.9835 -46.7168 -10.0529 9.05416 TIMING: 1031000 CPU: 2987.37, 0.00289895/step Wall: 2987.37, 0.00289895/step, 3.19609 hours remaining, 208.023438 MB of memory in use. ENERGY: 1031000 771.5185 2094.6578 1963.7844 114.2493 -205875.8412 17662.9787 0.0000 0.0000 34339.0875 -148929.5650 299.8918 -183268.6524 -148833.9812 299.7399 -114.8133 -83.7183 558871.3823 -2.1500 -2.2865 PRESSURE: 1031200 -240.211 -41.9679 -131.932 -41.968 -256.847 130.091 -131.932 130.093 -205.875 GPRESSURE: 1031200 -189.517 -24.1816 -51.8437 -62.273 -229.98 123.896 -183.521 103.608 -181.702 PRESSAVG: 1031200 94.8474 19.039 -63.099 19.039 -100.872 -14.8559 -63.0989 -14.8558 -13.8802 GPRESSAVG: 1031200 96.2188 18.0502 -62.5077 21.4043 -101.274 -15.5134 -63.7227 -14.3141 -14.339 TIMING: 1031200 CPU: 2987.94, 0.00288065/step Wall: 2987.94, 0.00288065/step, 3.17575 hours remaining, 208.226562 MB of memory in use. ENERGY: 1031200 751.4377 2099.9431 1944.1506 109.4687 -205913.7346 17568.7572 0.0000 0.0000 34508.0555 -148931.9218 301.3674 -183439.9773 -148832.0813 300.1192 -234.3109 -200.3997 559564.7333 -6.6349 -6.4647 PRESSURE: 1031400 -142.134 -13.4643 -51.5834 -13.4643 -153.633 245.926 -51.5825 245.926 -424.505 GPRESSURE: 1031400 -154.915 -13.1269 -38.5436 -33.1839 -91.1232 151.043 -53.5673 320.717 -368.431 PRESSAVG: 1031400 89.6946 -23.3084 -57.1967 -23.3084 -78.4998 11.8271 -57.1967 11.8272 -12.7471 GPRESSAVG: 1031400 88.9592 -20.9973 -58.5443 -25.5422 -77.9541 11.5904 -54.6916 11.7022 -12.8548 TIMING: 1031400 CPU: 2988.52, 0.00287894/step Wall: 2988.52, 0.00287894/step, 3.17371 hours remaining, 208.226562 MB of memory in use. ENERGY: 1031400 819.7353 2088.7396 1922.0961 109.5322 -205658.9169 17625.5337 0.0000 0.0000 34360.9330 -148732.3470 300.0826 -183093.2800 -148630.8008 300.5925 -240.0905 -204.8230 559076.1422 -0.5174 -0.6165 PRESSURE: 1031600 -213.478 -15.5412 -66.6323 -15.5402 -62.7534 -176.501 -66.6326 -176.501 -75.9579 GPRESSURE: 1031600 -222.036 -48.8535 -103.79 87.1934 -44.2099 -156.97 9.05756 -169.448 9.56481 PRESSAVG: 1031600 -1.71964 30.519 -23.027 30.519 17.1464 -9.79755 -23.027 -9.7975 0.854129 GPRESSAVG: 1031600 -1.54988 28.0417 -24.9632 32.4802 17.1942 -9.48709 -24.0213 -10.5799 0.647444 TIMING: 1031600 CPU: 2989.1, 0.00289415/step Wall: 2989.1, 0.00289415/step, 3.19032 hours remaining, 208.226562 MB of memory in use. ENERGY: 1031600 747.3786 2085.5647 1928.2457 114.5367 -205595.5904 17535.1856 0.0000 0.0000 34359.4214 -148825.2576 300.0694 -183184.6790 -148715.0701 300.4584 -117.3964 -85.5603 558557.3145 5.4270 5.4306 PRESSURE: 1031800 118.998 -296.758 23.0119 -296.758 -48.6845 9.8877 23.0122 9.88698 -8.86517 GPRESSURE: 1031800 192.775 -255.456 47.1594 -353.714 -14.3404 98.269 46.0469 -71.998 -24.1127 PRESSAVG: 1031800 15.8291 -23.7548 29.0553 -23.7548 -31.5639 1.3077 29.0554 1.30779 -23.8641 GPRESSAVG: 1031800 17.8662 -22.0327 31.7199 -25.4555 -31.9972 0.832625 27.547 2.03114 -24.8564 TIMING: 1031800 CPU: 2989.68, 0.00289554/step Wall: 2989.68, 0.00289554/step, 3.19169 hours remaining, 208.226562 MB of memory in use. ENERGY: 1031800 741.3622 2071.4318 1943.1836 111.0844 -205944.6199 17704.1683 0.0000 0.0000 34409.5366 -148963.8531 300.5070 -183373.3897 -148859.8926 299.7883 20.4829 51.4405 556993.2422 -13.1996 -12.9958 PRESSURE: 1032000 -104.685 31.6928 -140.982 31.6922 210.564 -87.8722 -140.981 -87.8711 179.406 GPRESSURE: 1032000 -59.1309 43.1839 -36.4307 60.9964 238.773 32.4744 -177.272 -120.501 196.546 PRESSAVG: 1032000 -108.139 -2.42785 -49.6606 -2.42783 43.5178 27.2764 -49.6605 27.2762 32.1871 GPRESSAVG: 1032000 -109.225 -2.27476 -51.1195 -1.44272 43.7645 30.3465 -48.0989 24.278 33.1856 TIMING: 1032000 CPU: 2990.25, 0.0028908/step Wall: 2990.25, 0.0028908/step, 3.1863 hours remaining, 208.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1032000 737.2110 2112.3910 1943.1201 111.5798 -206237.2460 18026.9191 0.0000 0.0000 34290.5372 -149015.4879 299.4678 -183306.0250 -148923.8028 300.0160 95.0950 125.3961 558172.1544 -10.8115 -10.7582 PRESSURE: 1032200 -217.014 -50.2758 73.7023 -50.2765 -72.5622 64.6545 73.7038 64.6541 -201.789 GPRESSURE: 1032200 -124.7 -32.8158 0.858105 -41.412 -67.7111 17.5508 41.4679 126.712 -208.414 PRESSAVG: 1032200 -49.7758 -5.8681 12.5903 -5.86816 24.2274 -33.5364 12.5903 -33.5366 66.6628 GPRESSAVG: 1032200 -48.4957 -5.37026 13.7001 -6.39111 23.5248 -36.791 9.70643 -31.6281 65.9218 TIMING: 1032200 CPU: 2990.83, 0.00290258/step Wall: 2990.83, 0.00290258/step, 3.19913 hours remaining, 208.226562 MB of memory in use. ENERGY: 1032200 726.3739 2057.9311 1937.4825 115.5833 -206025.5348 17598.6426 0.0000 0.0000 34313.9388 -149275.5825 299.6722 -183589.5213 -149178.5543 299.4255 -163.7885 -133.6085 558274.8462 13.7048 13.6503 LDB: ============= START OF LOAD BALANCING ============== 2994.22 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2994.22 LDB: =============== DONE WITH MIGRATION ================ 2994.22 LDB: ============= START OF LOAD BALANCING ============== 2994.51 LDB: Largest compute 4820 load 0.023905 is 20.3% of average load 0.117990 LDB: Average compute 0.001710 is 1.4% of average load 0.117990 LDB: TIME 2994.51 LOAD: AVG 0.11799 MAX 0.181323 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.539 MB LDB: TIME 2994.51 LOAD: AVG 0.11799 MAX 0.181323 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: TIME 2994.51 LOAD: AVG 0.11799 MAX 0.181323 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: ============== END OF LOAD BALANCING =============== 2994.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2994.52 PRESSURE: 1032400 -141.24 23.6984 -27.9925 23.6992 1.44082 -72.1847 -27.9915 -72.1858 33.4698 GPRESSURE: 1032400 -94.6446 117.359 -10.4193 31.3532 46.7814 -123.44 -62.593 18.7589 45.2339 PRESSAVG: 1032400 -39.0828 11.9052 14.6826 11.9052 -0.727162 6.1777 14.6828 6.17764 48.5883 GPRESSAVG: 1032400 -39.8593 11.5502 14.8898 11.6198 -0.203822 8.4278 17.0006 6.5131 48.6478 TIMING: 1032400 CPU: 2991.42, 0.00292963/step Wall: 2991.42, 0.00292963/step, 3.22878 hours remaining, 208.101562 MB of memory in use. ENERGY: 1032400 719.8987 2167.6637 1910.2962 117.0625 -206589.4951 18080.4966 0.0000 0.0000 34274.7966 -149319.2807 299.3303 -183594.0773 -149221.8009 299.2866 -35.4430 -0.8764 558950.6508 2.9261 2.8616 PRESSURE: 1032600 137.208 50.8313 170.5 50.8317 292.713 79.1885 170.501 79.1889 100.421 GPRESSURE: 1032600 244.588 32.9766 160.588 59.2034 257.455 -40.7894 176.862 129.806 124.485 PRESSAVG: 1032600 -53.8852 25.9344 32.4854 25.9343 5.53456 26.3593 32.4855 26.3592 64.4434 GPRESSAVG: 1032600 -54.7368 26.0516 31.7709 26.1045 6.5717 24.9425 30.2291 26.2681 64.1817 TIMING: 1032600 CPU: 2992, 0.00287579/step Wall: 2992, 0.00287579/step, 3.16928 hours remaining, 208.171875 MB of memory in use. ENERGY: 1032600 715.4909 2097.0296 1957.2330 113.1987 -206530.7724 17999.2539 0.0000 0.0000 34454.1487 -149194.4174 300.8967 -183648.5662 -149090.9647 300.1952 176.7811 208.8426 556360.3127 5.3643 5.3388 PRESSURE: 1032800 188.66 109.662 41.1253 109.661 201.009 -23.1877 41.1244 -23.187 -22.4335 GPRESSURE: 1032800 235.1 197.96 40.5166 -22.9477 233.782 -118.012 97.4529 86.8394 -13.9944 PRESSAVG: 1032800 -19.1761 28.5053 49.2533 28.5054 -5.0335 -15.3089 49.2533 -15.309 47.6453 GPRESSAVG: 1032800 -18.598 28.7973 49.1881 28.0761 -7.55184 -16.6566 50.3821 -13.1018 48.846 TIMING: 1032800 CPU: 2992.57, 0.0028872/step Wall: 2992.57, 0.0028872/step, 3.1817 hours remaining, 208.171875 MB of memory in use. ENERGY: 1032800 765.3834 2109.0725 1919.9273 109.6832 -205989.8102 17734.2876 0.0000 0.0000 34125.2854 -149226.1708 298.0246 -183351.4562 -149133.6424 299.0925 122.4116 151.6292 556255.1682 7.8119 7.5654 PRESSURE: 1033000 63.4993 2.16301 -40.5616 2.1641 14.5946 -23.529 -40.5615 -23.53 157.353 GPRESSURE: 1033000 84.1434 38.354 -16.5895 36.8984 43.4348 29.2242 -8.37591 -50.5596 199.324 PRESSAVG: 1033000 8.94231 -34.5171 68.3975 -34.517 -39.6937 -16.1267 68.3975 -16.1267 -0.268564 GPRESSAVG: 1033000 8.71109 -35.0491 68.2991 -34.5936 -38.7704 -12.2923 68.2448 -17.5717 -0.54266 TIMING: 1033000 CPU: 2993.15, 0.00289776/step Wall: 2993.15, 0.00289776/step, 3.19317 hours remaining, 208.171875 MB of memory in use. ENERGY: 1033000 735.5165 2049.5314 1925.8283 118.9999 -206230.7319 17892.1943 0.0000 0.0000 34461.4027 -149047.2588 300.9600 -183508.6615 -148944.7607 299.4794 78.4821 108.9674 555210.9053 -10.3400 -10.2007 PRESSURE: 1033200 60.4741 -14.6664 51.5801 -14.6653 -373.868 49.861 51.5799 49.8601 -186.862 GPRESSURE: 1033200 136.372 23.4224 36.5373 -54.6039 -360.355 -11.1776 -18.0866 42.5554 -167.177 PRESSAVG: 1033200 -8.24325 -17.5802 -15.3912 -17.5801 8.2388 21.7059 -15.3912 21.7059 -24.7801 GPRESSAVG: 1033200 -6.85466 -17.8617 -15.0043 -17.4806 8.02512 18.0391 -13.9329 21.1613 -26.8399 TIMING: 1033200 CPU: 2993.73, 0.00288408/step Wall: 2993.73, 0.00288408/step, 3.17793 hours remaining, 208.171875 MB of memory in use. ENERGY: 1033200 752.4728 2084.9254 1949.2600 127.6985 -205762.7200 17470.9462 0.0000 0.0000 34521.6071 -148855.8100 301.4858 -183377.4171 -148761.2588 299.4021 -166.7522 -130.3865 557523.3841 -8.2615 -8.5565 PRESSURE: 1033400 -319.269 -84.1633 136.417 -84.1629 25.8488 174.663 136.417 174.661 -207.496 GPRESSURE: 1033400 -283.087 -20.6624 136.19 -32.744 27.5368 208.449 127.903 59.6645 -145.546 PRESSAVG: 1033400 12.6448 0.0397768 48.2639 0.0397667 5.50746 -7.59354 48.2639 -7.59356 -42.4367 GPRESSAVG: 1033400 11.6646 0.0162769 48.1335 1.20577 6.63101 -5.08256 47.2089 -9.86442 -42.9318 TIMING: 1033400 CPU: 2994.31, 0.00287876/step Wall: 2994.31, 0.00287876/step, 3.17192 hours remaining, 208.171875 MB of memory in use. ENERGY: 1033400 781.5788 2103.0807 1929.3115 100.8348 -205938.1907 17743.3508 0.0000 0.0000 34322.4254 -148957.6087 299.7463 -183280.0341 -148857.2464 300.7162 -166.9723 -133.6987 557603.6714 -8.0948 -8.2121 PRESSURE: 1033600 100.394 7.41844 -97.2496 7.4179 -1.64939 -18.6861 -97.2497 -18.6875 7.00969 GPRESSURE: 1033600 87.7627 -15.4208 -144.494 -35.5998 56.6316 -146.298 -104.155 76.3271 50.7069 PRESSAVG: 1033600 37.2452 -12.9607 -9.86369 -12.9608 55.8941 -42.9507 -9.86373 -42.9508 -92.4486 GPRESSAVG: 1033600 37.6015 -11.3223 -9.48634 -14.3413 55.0659 -44.747 -10.3853 -41.5479 -91.4407 TIMING: 1033600 CPU: 2994.88, 0.00287462/step Wall: 2994.88, 0.00287462/step, 3.16719 hours remaining, 208.171875 MB of memory in use. ENERGY: 1033600 748.1098 2099.6484 1921.9409 119.9327 -205616.1776 17710.4009 0.0000 0.0000 34438.3867 -148577.7583 300.7590 -183016.1450 -148476.9961 300.6411 35.2515 65.0337 560372.8055 0.2302 0.4089 PRESSURE: 1033800 -22.1531 119.532 147.133 119.531 129.094 178.438 147.133 178.439 -166.721 GPRESSURE: 1033800 59.1313 155.571 80.1488 105.82 87.658 201.278 127.785 187.523 -99.7698 PRESSAVG: 1033800 46.0717 -11.549 -26.3238 -11.5491 16.922 31.5249 -26.3239 31.5249 -72.6796 GPRESSAVG: 1033800 46.0766 -12.9407 -25.3726 -9.44531 17.7383 30.6678 -25.4779 32.1056 -72.972 TIMING: 1033800 CPU: 2995.46, 0.00290193/step Wall: 2995.46, 0.00290193/step, 3.19712 hours remaining, 208.171875 MB of memory in use. ENERGY: 1033800 776.6128 2092.1572 1943.1752 119.6234 -205939.8397 17726.6000 0.0000 0.0000 34445.6931 -148835.9780 300.8228 -183281.6711 -148733.7683 300.4425 -19.9269 15.6732 558848.9285 -3.2286 -3.0524 PRESSURE: 1034000 -170.123 21.773 -118.916 21.7744 -22.8702 155.397 -118.918 155.397 74.4912 GPRESSURE: 1034000 -154.375 30.2972 -113.848 6.25205 24.9231 156.769 -110.542 178.543 94.6702 PRESSAVG: 1034000 -43.0174 14.9098 -16.8496 14.9097 64.0179 -14.0551 -16.8497 -14.0551 -16.6052 GPRESSAVG: 1034000 -43.8091 16.7055 -17.9078 13.8228 64.1406 -13.2706 -16.5919 -15.0263 -15.8991 TIMING: 1034000 CPU: 2996.04, 0.00289022/step Wall: 2996.04, 0.00289022/step, 3.18406 hours remaining, 208.171875 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: 1034000 763.5247 2055.8872 1937.5040 104.5083 -205448.9691 17661.8639 0.0000 0.0000 34393.5541 -148532.1268 300.3675 -182925.6809 -148441.6022 300.4787 -39.5007 -11.5941 559410.5443 1.4651 1.4774 PRESSURE: 1034200 38.8776 -32.2966 30.5934 -32.2985 -85.439 67.7369 30.593 67.7374 -128.928 GPRESSURE: 1034200 79.7232 25.0882 -65.794 -43.5767 -43.5559 133.886 118.563 55.2896 -109.536 PRESSAVG: 1034200 14.0957 4.41686 -0.0914235 4.4168 25.8808 13.081 -0.0913132 13.0808 -29.3523 GPRESSAVG: 1034200 14.1958 4.22193 -1.15227 3.01153 26.4857 12.2272 1.03363 15.2049 -30.2012 TIMING: 1034200 CPU: 2996.62, 0.00288428/step Wall: 2996.62, 0.00288428/step, 3.17736 hours remaining, 208.171875 MB of memory in use. ENERGY: 1034200 769.7384 2160.2311 1957.5458 106.7012 -205828.5221 17761.9499 0.0000 0.0000 34561.8156 -148510.5400 301.8369 -183072.3556 -148418.5277 301.3679 -58.4965 -24.4562 559681.6321 3.5414 3.4934 PRESSURE: 1034400 4.42672 35.4959 -112.904 35.4944 -43.9938 -18.6095 -112.904 -18.6102 -75.1168 GPRESSURE: 1034400 39.0935 28.931 -12.6292 55.1759 43.3479 20.4344 -63.7714 -56.8962 -82.457 PRESSAVG: 1034400 41.7402 -24.8368 14.2624 -24.8368 -9.1654 26.0701 14.2624 26.0702 -52.9526 GPRESSAVG: 1034400 41.5532 -23.9032 15.9793 -25.2284 -9.75473 28.2889 12.7563 23.9598 -52.8684 TIMING: 1034400 CPU: 2997.2, 0.00291764/step Wall: 2997.2, 0.00291764/step, 3.21394 hours remaining, 208.171875 MB of memory in use. ENERGY: 1034400 748.2807 2169.0525 1937.3319 128.7369 -205636.4580 17657.2979 0.0000 0.0000 34336.2634 -148659.4947 299.8671 -182995.7581 -148570.3398 301.3583 -38.2280 -0.0052 558938.3671 -6.7926 -7.0233 PRESSURE: 1034600 224.962 224.117 -201.861 224.115 391.988 48.4093 -201.862 48.4092 130.422 GPRESSURE: 1034600 261.188 194.536 -237.741 168.153 397.859 -6.17971 -228.984 40.9427 191.628 PRESSAVG: 1034600 16.5982 -3.69949 17.1204 -3.69943 -8.49657 -27.579 17.1204 -27.579 5.52172 GPRESSAVG: 1034600 16.4869 -6.48366 18.427 -2.88498 -8.63269 -27.6 17.5439 -28.3474 5.46657 TIMING: 1034600 CPU: 2997.78, 0.00292141/step Wall: 2997.78, 0.00292141/step, 3.21793 hours remaining, 208.171875 MB of memory in use. ENERGY: 1034600 732.3411 2119.3495 1936.1969 112.9588 -206237.1073 18101.5804 0.0000 0.0000 34600.0528 -148634.6279 302.1709 -183234.6806 -148543.1998 301.1586 249.1238 283.5582 557637.9107 4.5411 4.4403 PRESSURE: 1034800 28.5538 201.709 -15.6174 201.709 98.8245 139.578 -15.6175 139.576 -198.289 GPRESSURE: 1034800 59.9832 252.912 -37.8315 83.6683 165.621 218.896 -38.3627 115.296 -201.066 PRESSAVG: 1034800 -14.125 68.3239 50.9086 68.3239 42.8209 -34.4992 50.9087 -34.4992 -23.7514 GPRESSAVG: 1034800 -14.1633 66.6312 48.2151 69.3195 42.0951 -34.3438 51.4336 -35.4488 -23.2454 TIMING: 1034800 CPU: 2998.36, 0.00289704/step Wall: 2998.36, 0.00289704/step, 3.19093 hours remaining, 208.171875 MB of memory in use. ENERGY: 1034800 776.2980 2122.2148 1947.5734 102.7146 -206017.8657 17711.2166 0.0000 0.0000 34482.6000 -148875.2485 301.1451 -183357.8484 -148772.4415 300.3460 -23.6370 8.1794 558486.3192 1.6482 1.5621 PRESSURE: 1035000 -74.5926 56.175 77.0939 56.175 72.9323 101.197 77.0931 101.198 102.929 GPRESSURE: 1035000 -40.8017 41.1732 131.364 42.5353 94.4598 150.851 31.8997 47.9629 157.012 PRESSAVG: 1035000 -8.58676 -10.859 41.8287 -10.859 21.2096 -33.8188 41.8287 -33.8188 12.206 GPRESSAVG: 1035000 -8.54781 -8.38014 43.3096 -10.9274 20.8342 -34.6683 40.9948 -32.6228 12.3295 TIMING: 1035000 CPU: 2998.94, 0.00286889/step Wall: 2998.94, 0.00286889/step, 3.15976 hours remaining, 208.171875 MB of memory in use. ENERGY: 1035000 726.2883 2071.3550 1955.4788 116.4499 -206062.6505 17894.6621 0.0000 0.0000 34466.2563 -148832.1603 301.0024 -183298.4165 -148731.7065 300.6497 33.7562 70.2233 559266.4198 8.2763 8.2053 PRESSURE: 1035200 99.1865 146.611 -30.6582 146.612 18.156 -74.369 -30.6568 -74.3681 79.5535 GPRESSURE: 1035200 135.248 30.8477 -74.3664 150.056 79.3208 -105.923 -42.5123 -108.098 78.5248 PRESSAVG: 1035200 -66.3905 71.1321 49.1288 71.1321 27.7596 -1.82763 49.1288 -1.82753 70.1115 GPRESSAVG: 1035200 -67.767 70.3364 49.2698 72.2198 27.9073 -1.65717 49.1569 -0.557511 71.3851 TIMING: 1035200 CPU: 2999.51, 0.00287586/step Wall: 2999.51, 0.00287586/step, 3.16728 hours remaining, 208.171875 MB of memory in use. ENERGY: 1035200 716.7335 2134.1531 1961.9552 110.5750 -206524.2696 18111.2262 0.0000 0.0000 34454.6644 -149034.9622 300.9012 -183489.6266 -148933.7572 299.6786 65.6320 97.6978 558810.5297 10.4935 10.5085 PRESSURE: 1035400 -94.5207 165.15 -179.608 165.151 274.734 84.5753 -179.608 84.5761 -108.597 GPRESSURE: 1035400 -100.174 176.592 -140.821 110.083 345.759 23.1329 -154.729 177.685 -74.2913 PRESSAVG: 1035400 -46.5472 -8.32602 -4.95533 -8.32601 -25.2865 37.686 -4.95536 37.6861 28.032 GPRESSAVG: 1035400 -45.6397 -8.60414 -6.12458 -8.81084 -25.0436 35.4125 -3.44168 39.2568 26.6505 TIMING: 1035400 CPU: 3000.09, 0.00287813/step Wall: 3000.09, 0.00287813/step, 3.16963 hours remaining, 208.171875 MB of memory in use. ENERGY: 1035400 794.8015 2082.5383 1945.0104 109.1493 -206026.1056 17876.2826 0.0000 0.0000 34478.1514 -148740.1721 301.1063 -183218.3235 -148644.8651 299.5618 23.8721 57.0979 558191.6460 -14.6006 -14.6776 PRESSURE: 1035600 -58.5434 -113.783 -109.806 -113.783 105.175 13.4252 -109.804 13.4244 133.134 GPRESSURE: 1035600 -50.3873 -58.3796 -48.9782 -187.734 197.347 43.3829 -36.3685 -14.9648 129.577 PRESSAVG: 1035600 -34.9697 -25.4883 16.4753 -25.4883 0.0488044 7.65147 16.4752 7.65137 46.5005 GPRESSAVG: 1035600 -34.8823 -24.498 15.4718 -27.6237 0.742108 9.66029 17.5835 7.51048 45.7844 TIMING: 1035600 CPU: 3000.66, 0.00288001/step Wall: 3000.66, 0.00288001/step, 3.17153 hours remaining, 208.171875 MB of memory in use. ENERGY: 1035600 755.8671 2144.7746 1952.2620 96.3327 -206027.0207 17808.5330 0.0000 0.0000 34391.2207 -148878.0307 300.3471 -183269.2514 -148779.5760 300.8006 59.9219 92.1788 557301.7993 3.8599 3.8814 PRESSURE: 1035800 41.2943 35.1426 -97.5972 35.1425 220.916 157.845 -97.596 157.844 141.98 GPRESSURE: 1035800 68.681 17.5621 -94.9435 -5.62824 244.241 173.963 -155.282 91.5716 190.941 PRESSAVG: 1035800 -17.8485 -40.6199 30.7549 -40.62 -3.90769 13.3049 30.7549 13.305 6.78038 GPRESSAVG: 1035800 -17.8446 -41.7683 32.1486 -38.1 -5.12189 14.2043 28.5205 8.29427 8.05456 TIMING: 1035800 CPU: 3001.24, 0.00289049/step Wall: 3001.24, 0.00289049/step, 3.18291 hours remaining, 208.171875 MB of memory in use. ENERGY: 1035800 808.1602 2113.2313 1925.8896 114.9840 -206410.1044 18247.1904 0.0000 0.0000 34170.7340 -149029.9149 298.4215 -183200.6488 -148937.7529 299.8994 134.7302 167.9542 557291.6798 -4.9919 -4.9706 PRESSURE: 1036000 84.3838 -129.222 22.0435 -129.221 168.886 -85.8585 22.0443 -85.8579 -325.436 GPRESSURE: 1036000 145.727 -183.552 7.03978 -99.7578 189.202 -154.88 10.7602 3.26563 -302.229 PRESSAVG: 1036000 -19.3156 -35.6148 16.8865 -35.6148 -45.0606 -17.0229 16.8865 -17.0229 39.9404 GPRESSAVG: 1036000 -18.661 -36.9648 17.3968 -35.3688 -45.556 -16.9992 17.8992 -15.7041 39.9084 TIMING: 1036000 CPU: 3001.82, 0.00289976/step Wall: 3001.82, 0.00289976/step, 3.19295 hours remaining, 208.171875 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: 1036000 745.7477 2092.3349 1918.7076 113.0586 -206313.3441 17841.4461 0.0000 0.0000 34468.5866 -149133.4626 301.0227 -183602.0493 -149031.7349 299.7137 -24.0554 10.8999 558049.5014 -8.1453 -8.1029 PRESSURE: 1036200 33.7171 -105.319 -136.124 -105.319 145.463 44.7743 -136.125 44.7756 278.625 GPRESSURE: 1036200 130.139 -104.19 -207.841 -65.2167 119.535 79.6359 -149.172 -67.0076 304.924 PRESSAVG: 1036200 -35.6522 17.1732 0.878571 17.1732 18.5548 -33.0712 0.878469 -33.0712 5.67343 GPRESSAVG: 1036200 -35.7754 18.9385 0.426035 16.5271 19.5815 -33.2765 -0.477526 -32.8436 4.9912 TIMING: 1036200 CPU: 3002.41, 0.00291736/step Wall: 3002.41, 0.00291736/step, 3.21218 hours remaining, 208.171875 MB of memory in use. ENERGY: 1036200 712.2683 2128.9659 1930.6741 105.8533 -206279.7861 18033.6401 0.0000 0.0000 34361.4755 -149006.9089 300.0873 -183368.3845 -148906.3721 299.8493 152.6015 184.8661 558789.5408 -3.8080 -3.7342 LDB: ============= START OF LOAD BALANCING ============== 3005.79 LDB: ============== END OF LOAD BALANCING =============== 3005.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3005.79 LDB: ============= START OF LOAD BALANCING ============== 3006.08 LDB: Largest compute 4820 load 0.022578 is 19.1% of average load 0.117960 LDB: Average compute 0.001706 is 1.4% of average load 0.117960 LDB: TIME 3006.08 LOAD: AVG 0.11796 MAX 0.184914 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 3006.08 LOAD: AVG 0.11796 MAX 0.184914 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.859 MB LDB: TIME 3006.08 LOAD: AVG 0.11796 MAX 0.184914 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3006.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3006.09 PRESSURE: 1036400 132.957 -94.5023 -156.876 -94.5037 -200.166 117.041 -156.875 117.041 -21.1218 GPRESSURE: 1036400 159.496 -92.2103 -103.454 -159.583 -107.305 56.8104 -115.07 178.324 -37.0208 PRESSAVG: 1036400 2.24899 -66.4251 36.2627 -66.4252 -71.3111 8.41743 36.2627 8.41746 60.2744 GPRESSAVG: 1036400 2.93192 -66.3394 37.0568 -66.9116 -70.8239 8.69937 37.2892 9.77975 59.3295 TIMING: 1036400 CPU: 3002.99, 0.00294295/step Wall: 3002.99, 0.00294295/step, 3.24019 hours remaining, 207.332031 MB of memory in use. ENERGY: 1036400 768.4583 2119.5668 1917.5289 119.3710 -206211.3350 17897.7988 0.0000 0.0000 34457.7555 -148930.8557 300.9281 -183388.6112 -148833.2893 300.1459 -29.4437 5.0567 558923.0843 -2.9292 -2.8541 PRESSURE: 1036600 -67.3584 -14.5854 8.87467 -14.5848 -60.9256 121.655 8.875 121.653 120.806 GPRESSURE: 1036600 -52.387 -21.784 -34.1036 6.86251 -49.884 163.555 42.6485 84.825 181.025 PRESSAVG: 1036600 87.4087 -50.5609 -51.0978 -50.5607 -68.7705 6.15925 -51.0978 6.15928 -6.0466 GPRESSAVG: 1036600 86.8346 -51.2756 -52.9143 -51.4173 -69.4454 5.73015 -49.5327 5.48527 -4.83018 TIMING: 1036600 CPU: 3003.57, 0.00289321/step Wall: 3003.57, 0.00289321/step, 3.18527 hours remaining, 207.535156 MB of memory in use. ENERGY: 1036600 733.0893 2116.7232 1935.1884 123.8487 -206217.5733 17917.3208 0.0000 0.0000 34339.1482 -149052.2548 299.8923 -183391.4030 -148962.1176 300.2440 -2.4927 26.2514 558557.7650 4.1972 4.1863 PRESSURE: 1036800 -228.889 -68.7664 -44.5667 -68.7666 28.404 77.0645 -44.5666 77.0646 -201.506 GPRESSURE: 1036800 -190.548 -107.169 19.4989 -91.9011 55.7861 -11.561 -115.503 61.3535 -189.926 PRESSAVG: 1036800 -30.357 -57.3062 -44.4771 -57.3063 5.52371 -15.1336 -44.4772 -15.1335 22.7675 GPRESSAVG: 1036800 -30.6324 -54.6281 -44.4996 -57.5519 5.14558 -15.2795 -45.5977 -14.1844 23.2606 TIMING: 1036800 CPU: 3004.15, 0.00288847/step Wall: 3004.15, 0.00288847/step, 3.17989 hours remaining, 207.535156 MB of memory in use. ENERGY: 1036800 799.5058 2088.3993 1963.7734 121.1730 -206141.9677 17696.8331 0.0000 0.0000 34301.2400 -149171.0430 299.5613 -183472.2830 -149080.7634 299.9995 -133.9967 -108.2295 557971.0889 -0.6886 -0.7421 PRESSURE: 1037000 17.4003 -63.1291 17.349 -63.1281 21.977 -44.0794 17.3491 -44.0799 -107.78 GPRESSURE: 1037000 -27.5468 50.515 62.2991 -166.366 94.9665 -99.6979 -65.1774 43.7841 -50.2705 PRESSAVG: 1037000 -16.5249 -31.0015 20.3997 -31.0016 -8.59275 -12.4402 20.3997 -12.4403 30.9414 GPRESSAVG: 1037000 -16.3587 -33.182 20.0516 -29.514 -8.73369 -12.5819 20.0539 -12.6693 31.2469 TIMING: 1037000 CPU: 3004.73, 0.00288732/step Wall: 3004.73, 0.00288732/step, 3.17846 hours remaining, 207.535156 MB of memory in use. ENERGY: 1037000 747.2603 2150.4829 1933.8831 111.5013 -206219.6164 17931.3481 0.0000 0.0000 34146.5043 -149198.6364 298.2099 -183345.1407 -149102.9874 299.4269 -22.8008 5.7164 558506.4385 1.9412 2.0515 PRESSURE: 1037200 -8.66037 -74.0313 39.5584 -74.0311 -162.059 -169.324 39.5578 -169.325 -263.453 GPRESSURE: 1037200 36.6328 -64.8815 59.0693 -87.1343 -105.931 -241.056 15.7597 -40.3189 -268.209 PRESSAVG: 1037200 -50.6211 -45.2848 51.1324 -45.2848 -49.6631 -34.3861 51.1325 -34.3862 104.913 GPRESSAVG: 1037200 -51.0747 -43.4844 52.6501 -45.9977 -48.4383 -35.625 51.1662 -32.2155 104.249 TIMING: 1037200 CPU: 3005.3, 0.00288644/step Wall: 3005.3, 0.00288644/step, 3.17733 hours remaining, 207.535156 MB of memory in use. ENERGY: 1037200 724.4875 2135.7162 1937.3758 113.5648 -206083.7277 17667.9427 0.0000 0.0000 34214.8042 -149289.8366 298.8064 -183504.6407 -149199.4333 299.4796 -144.7241 -112.5026 557214.3097 1.5430 1.5787 PRESSURE: 1037400 -2.37502 -36.4412 6.53125 -36.4408 239.767 0.138026 6.5327 0.138165 -54.987 GPRESSURE: 1037400 24.2142 -4.45047 16.2183 -36.166 270.941 10.5713 -43.8269 -31.8079 -1.99481 PRESSAVG: 1037400 25.8607 10.4375 33.874 10.4375 -80.3907 13.7792 33.8741 13.7791 89.8206 GPRESSAVG: 1037400 25.6595 9.07095 33.6128 10.1182 -81.545 14.0301 32.1882 11.7089 90.7075 TIMING: 1037400 CPU: 3005.88, 0.00288019/step Wall: 3005.88, 0.00288019/step, 3.17029 hours remaining, 207.535156 MB of memory in use. ENERGY: 1037400 685.7485 2060.5185 1947.5675 108.8680 -206175.4964 17809.1426 0.0000 0.0000 34355.6205 -149208.0309 300.0362 -183563.6514 -149110.7723 299.1967 60.8016 97.7200 557246.3194 11.7635 11.6073 PRESSURE: 1037600 256.423 -60.8714 45.5598 -60.8701 -61.3583 -30.4115 45.5606 -30.4112 36.9393 GPRESSURE: 1037600 300.365 -1.79435 -14.6071 -94.2131 9.31199 3.32637 84.4852 31.2103 21.8568 PRESSAVG: 1037600 -74.452 12.9709 -24.1588 12.9709 5.31865 13.669 -24.1588 13.6691 68.004 GPRESSAVG: 1037600 -75.1662 12.452 -22.1877 14.955 6.83736 15.3054 -23.448 12.9243 66.9 TIMING: 1037600 CPU: 3006.46, 0.0028884/step Wall: 3006.46, 0.0028884/step, 3.17916 hours remaining, 207.535156 MB of memory in use. ENERGY: 1037600 765.9442 2122.6081 1887.0099 124.6583 -206313.4358 18047.2391 0.0000 0.0000 34257.8198 -149108.1563 299.1821 -183365.9761 -149015.1691 299.1363 77.3348 110.5111 557761.6888 -0.3765 -0.4763 PRESSURE: 1037800 -171.689 -68.8432 -17.5886 -68.8432 -353.382 -78.3673 -17.5877 -78.366 -188.994 GPRESSURE: 1037800 -147.528 -53.0387 -121.865 -153.633 -306.048 -67.0361 -73.5432 -106.683 -158.385 PRESSAVG: 1037800 -11.3203 9.57564 1.57618 9.57553 5.05781 -32.0831 1.57619 -32.083 -32.0179 GPRESSAVG: 1037800 -10.4467 9.22578 1.79677 6.87715 4.31631 -30.6009 1.00209 -32.4403 -32.2678 TIMING: 1037800 CPU: 3007.04, 0.00288265/step Wall: 3007.04, 0.00288265/step, 3.17268 hours remaining, 207.535156 MB of memory in use. ENERGY: 1037800 778.0224 2144.3943 1921.5160 100.8977 -205795.9706 17404.5100 0.0000 0.0000 34393.2446 -149053.3855 300.3648 -183446.6301 -148953.2815 299.3089 -238.0216 -203.9867 557795.8927 -12.7601 -12.7994 PRESSURE: 1038000 2.50797 170.184 -4.92666 170.185 -97.6691 4.67537 -4.92664 4.67547 -143.529 GPRESSURE: 1038000 44.6295 152.446 -47.7495 157.309 -28.1629 -3.50216 24.9446 48.568 -150.254 PRESSAVG: 1038000 8.14048 8.31633 -41.4358 8.31626 21.7227 -38.5571 -41.4359 -38.557 -39.1899 GPRESSAVG: 1038000 7.52823 8.8304 -41.4884 8.52048 21.695 -41.2507 -39.6034 -36.2864 -38.2477 TIMING: 1038000 CPU: 3007.62, 0.00290043/step Wall: 3007.62, 0.00290043/step, 3.19209 hours remaining, 207.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1038000 744.9403 2067.7254 1928.7837 111.3902 -206193.1721 17923.0870 0.0000 0.0000 34275.6192 -149141.6263 299.3375 -183417.2455 -149044.8864 299.6933 -79.5633 -44.5957 557788.2803 -3.1089 -3.0082 PRESSURE: 1038200 -215.269 106.655 -104.966 106.656 -58.5081 -60.2996 -104.966 -60.2996 -8.49518 GPRESSURE: 1038200 -169.167 105.247 -152.363 55.8362 -27.2112 -235.852 -42.4694 -115.117 16.2606 PRESSAVG: 1038200 -5.60014 42.1849 -12.9951 42.185 5.91846 -4.38208 -12.9951 -4.38217 -37.1015 GPRESSAVG: 1038200 -4.85133 41.6923 -14.1211 43.1215 5.89257 -3.9946 -12.709 -6.53225 -38.0678 TIMING: 1038200 CPU: 3008.19, 0.00289376/step Wall: 3008.19, 0.00289376/step, 3.18459 hours remaining, 207.535156 MB of memory in use. ENERGY: 1038200 737.5370 2045.5958 1941.6030 122.5702 -205982.2510 17594.5912 0.0000 0.0000 34475.6014 -149064.7525 301.0840 -183540.3539 -148967.6629 299.7951 -94.0906 -60.0392 557755.6458 -12.2611 -12.3422 PRESSURE: 1038400 -178.105 28.7327 -124.389 28.7313 -381.679 -52.8769 -124.39 -52.8748 37.8683 GPRESSURE: 1038400 -96.8798 0.0907048 -169.939 80.574 -341.203 -43.3576 -74.0002 22.7251 21.0293 PRESSAVG: 1038400 -22.4253 20.4869 11.5115 20.4869 -16.7819 23.4726 11.5115 23.4726 6.60013 GPRESSAVG: 1038400 -21.0805 20.6668 12.1598 21.9452 -17.3473 24.5847 9.77328 25.8535 6.14665 TIMING: 1038400 CPU: 3008.77, 0.00288547/step Wall: 3008.77, 0.00288547/step, 3.1753 hours remaining, 207.535156 MB of memory in use. ENERGY: 1038400 749.6936 2132.0678 1933.9553 117.5263 -205813.0281 17549.3036 0.0000 0.0000 34242.7131 -149087.7684 299.0501 -183330.4815 -148995.6818 300.0422 -173.9721 -139.0177 558878.8873 -10.8690 -10.7604 PRESSURE: 1038600 230.462 -66.1941 -18.4742 -66.1951 36.2282 54.9137 -18.4751 54.9122 -39.4767 GPRESSURE: 1038600 283.345 40.7283 -23.0078 -31.5646 105.66 159.986 21.2015 46.8171 -67.6407 PRESSAVG: 1038600 -51.1918 -1.14624 -44.0204 -1.14627 17.9217 12.9147 -44.0204 12.9146 17.4891 GPRESSAVG: 1038600 -53.2459 0.54342 -43.8976 -3.87114 19.0378 11.8514 -46.3757 12.8986 18.3087 TIMING: 1038600 CPU: 3009.35, 0.00290815/step Wall: 3009.35, 0.00290815/step, 3.2001 hours remaining, 207.535156 MB of memory in use. ENERGY: 1038600 730.2063 2089.7366 1921.8277 121.0461 -206261.8450 17944.1906 0.0000 0.0000 34281.3668 -149173.4709 299.3877 -183454.8376 -149074.7780 299.1330 75.7380 107.1215 559176.3624 -5.2603 -5.2998 PRESSURE: 1038800 -19.9331 122.838 122.479 122.838 29.2647 -93.3376 122.478 -93.3368 -299.874 GPRESSURE: 1038800 13.7627 87.9364 60.7745 153.065 14.0496 -64.3433 133.665 -56.3175 -227.039 PRESSAVG: 1038800 15.8661 15.1013 8.8381 15.1012 34.7252 -15.7691 8.8381 -15.7692 -5.13175 GPRESSAVG: 1038800 15.9501 14.2696 7.63021 16.298 33.2107 -15.4648 13.0455 -15.358 -3.53161 TIMING: 1038800 CPU: 3009.93, 0.00291147/step Wall: 3009.93, 0.00291147/step, 3.20359 hours remaining, 207.535156 MB of memory in use. ENERGY: 1038800 741.9259 2075.6684 1941.1915 115.7125 -205969.1152 17644.5757 0.0000 0.0000 34370.9173 -149079.1238 300.1698 -183450.0412 -148990.7080 299.7316 -96.8475 -66.4088 557799.3944 15.1532 15.2097 PRESSURE: 1039000 -56.3379 -96.4136 29.0188 -96.414 -133.408 -211.572 29.0184 -211.573 92.2966 GPRESSURE: 1039000 -0.412238 -176.318 58.6919 -83.4894 -101.78 -199.54 41.5163 -174.106 112.816 PRESSAVG: 1039000 -10.059 33.7549 15.5781 33.7549 -28.0299 -4.91183 15.5781 -4.91167 37.2488 GPRESSAVG: 1039000 -9.20625 34.2829 16.8123 33.4984 -27.7552 -3.31015 12.6774 -6.36462 36.2806 TIMING: 1039000 CPU: 3010.52, 0.00290918/step Wall: 3010.52, 0.00290918/step, 3.20091 hours remaining, 207.535156 MB of memory in use. ENERGY: 1039000 744.1597 2098.4566 1955.6704 118.3957 -206128.0486 17814.2145 0.0000 0.0000 34287.3282 -149109.8235 299.4398 -183397.1517 -149017.0209 299.8976 -32.4830 3.5411 557898.1825 -0.2801 -0.2270 PRESSURE: 1039200 -224.099 40.1279 160.051 40.1281 62.2453 37.3317 160.051 37.3305 108.572 GPRESSURE: 1039200 -222.55 3.64469 142.538 -14.7578 94.6162 -6.67406 154.669 0.0354162 176.01 PRESSAVG: 1039200 -40.5683 -39.3754 -4.60664 -39.3754 -27.1082 -70.2998 -4.60663 -70.2997 72.407 GPRESSAVG: 1039200 -40.1964 -40.0311 -4.25822 -37.7193 -26.5118 -69.6537 -3.87576 -72.1784 71.5539 TIMING: 1039200 CPU: 3011.09, 0.00288774/step Wall: 3011.09, 0.00288774/step, 3.17716 hours remaining, 207.535156 MB of memory in use. ENERGY: 1039200 730.9523 2113.2729 1943.6339 123.1117 -206070.2272 17707.5099 0.0000 0.0000 34320.0871 -149131.6595 299.7259 -183451.7466 -149039.7296 299.9665 -17.7607 16.0253 557365.9591 1.5768 1.6152 PRESSURE: 1039400 105.469 67.3115 39.7184 67.3121 34.5087 186.325 39.7182 186.325 -63.621 GPRESSURE: 1039400 71.5914 -23.6567 -12.3748 81.2961 40.2265 227.283 7.63345 161.412 56.6424 PRESSAVG: 1039400 19.0518 19.8754 -36.5271 19.8754 -55.9332 -1.76711 -36.5271 -1.76706 61.9997 GPRESSAVG: 1039400 19.836 19.4969 -38.1475 18.0547 -57.2818 -3.09317 -37.8957 1.52766 62.4272 TIMING: 1039400 CPU: 3011.67, 0.00290106/step Wall: 3011.67, 0.00290106/step, 3.19165 hours remaining, 207.535156 MB of memory in use. ENERGY: 1039400 737.5438 2112.7550 1966.7777 110.4053 -205870.9301 17703.1180 0.0000 0.0000 34195.7039 -149044.6264 298.6396 -183240.3303 -148950.3533 299.9095 25.4522 56.1534 557213.6894 8.3728 8.3271 PRESSURE: 1039600 95.8402 77.4673 -70.8804 77.4674 118.148 -107.412 -70.8807 -107.415 79.8568 GPRESSURE: 1039600 178.492 55.8366 -33.8477 -40.8193 123.685 -63.7895 -12.8654 -133.568 91.1268 PRESSAVG: 1039600 -43.832 -49.9155 19.8442 -49.9155 -23.9653 -62.3771 19.8442 -62.3771 3.77752 GPRESSAVG: 1039600 -43.9579 -50.3011 20.0197 -50.1465 -23.8573 -61.0553 21.2358 -65.4682 4.47078 TIMING: 1039600 CPU: 3012.25, 0.00289059/step Wall: 3012.25, 0.00289059/step, 3.17997 hours remaining, 207.535156 MB of memory in use. ENERGY: 1039600 733.5253 2112.1373 1944.9150 105.4234 -206532.2399 18092.3240 0.0000 0.0000 34511.2873 -149032.6275 301.3957 -183543.9148 -148943.0980 299.9314 97.9484 131.1011 557715.2335 -21.3399 -21.1148 PRESSURE: 1039800 -233.646 -43.5464 -77.5133 -43.5476 98.835 -55.9223 -77.5138 -55.9241 305.337 GPRESSURE: 1039800 -241.824 -40.3012 -77.2145 -62.4869 155.504 -69.0083 -2.42767 38.0973 345.676 PRESSAVG: 1039800 -71.2887 -56.5031 -19.1204 -56.5032 34.4475 -34.2232 -19.1205 -34.2232 42.6613 GPRESSAVG: 1039800 -71.9579 -57.1914 -19.4592 -54.9777 35.2597 -34.7087 -19.0147 -33.8666 42.1754 TIMING: 1039800 CPU: 3012.83, 0.00291112/step Wall: 3012.83, 0.00291112/step, 3.20239 hours remaining, 207.535156 MB of memory in use. ENERGY: 1039800 714.2325 2110.6433 1915.2181 110.5545 -206328.6185 17902.3743 0.0000 0.0000 34496.8598 -149078.7360 301.2697 -183575.5958 -148981.4923 300.5529 56.8420 86.4520 557592.6090 1.9400 1.8257 PRESSURE: 1040000 251.359 9.29407 6.25607 9.29261 6.04475 170.696 6.25579 170.696 350.802 GPRESSURE: 1040000 321.819 -20.4663 -56.0646 9.88953 4.96244 115.762 44.3076 159.584 370.628 PRESSAVG: 1040000 18.3569 -37.1843 2.57423 -37.1844 -15.3583 20.5151 2.57425 20.5152 42.79 GPRESSAVG: 1040000 18.641 -34.7013 3.06786 -39.7595 -16.2746 19.0428 1.37317 20.9705 43.343 TIMING: 1040000 CPU: 3013.42, 0.00291302/step Wall: 3013.42, 0.00291302/step, 3.20432 hours remaining, 207.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1040000 728.5048 2050.6947 1910.7965 111.3189 -206386.2106 18221.4307 0.0000 0.0000 34303.3129 -149060.1521 299.5794 -183363.4650 -148963.7023 299.4513 202.7351 232.4699 557611.5911 15.2629 15.2365 PRESSURE: 1040200 246.866 52.9309 -53.378 52.9312 72.5296 -25.7788 -53.3785 -25.7779 -84.9841 GPRESSURE: 1040200 293.178 -31.6151 9.31849 23.7571 84.6436 4.78845 -59.5463 25.7222 -41.2728 PRESSAVG: 1040200 -3.14377 11.4153 -19.9066 11.4154 -15.1145 19.467 -19.9066 19.4668 2.90749 GPRESSAVG: 1040200 -2.90056 9.25697 -18.8048 14.04 -13.8503 19.8537 -20.2577 21.4669 1.46055 TIMING: 1040200 CPU: 3013.99, 0.00288754/step Wall: 3013.99, 0.00288754/step, 3.17613 hours remaining, 207.535156 MB of memory in use. ENERGY: 1040200 747.4253 2106.4197 1935.7545 97.6538 -206525.7344 18037.8859 0.0000 0.0000 34505.0580 -149095.5371 301.3413 -183600.5952 -149001.6368 299.7418 78.1371 112.1829 558346.9794 -5.1169 -5.0968 LDB: ============= START OF LOAD BALANCING ============== 3017.38 LDB: ============== END OF LOAD BALANCING =============== 3017.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3017.38 LDB: ============= START OF LOAD BALANCING ============== 3017.67 LDB: Largest compute 4820 load 0.023154 is 19.6% of average load 0.117999 LDB: Average compute 0.001706 is 1.4% of average load 0.117999 LDB: TIME 3017.68 LOAD: AVG 0.117999 MAX 0.185464 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.129 MB LDB: TIME 3017.68 LOAD: AVG 0.117999 MAX 0.185464 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.129 MB LDB: TIME 3017.68 LOAD: AVG 0.117999 MAX 0.185464 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.129 MB LDB: ============== END OF LOAD BALANCING =============== 3017.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3017.68 PRESSURE: 1040400 -328.004 116.655 149.604 116.656 -340.61 100.678 149.604 100.678 -5.80792 GPRESSURE: 1040400 -344.124 153.184 129.911 82.1905 -288.85 76.8278 189.834 120.116 54.0803 PRESSAVG: 1040400 -27.0379 19.3679 27.1025 19.3678 18.5283 45.7691 27.1025 45.7693 32.5173 GPRESSAVG: 1040400 -28.2855 20.045 26.4807 18.9536 18.8883 45.6694 27.8001 43.2362 33.6611 TIMING: 1040400 CPU: 3014.59, 0.00296181/step Wall: 3014.59, 0.00296181/step, 3.25766 hours remaining, 207.132812 MB of memory in use. ENERGY: 1040400 737.5055 2074.9041 1925.0317 117.6158 -205960.5207 17574.2813 0.0000 0.0000 34430.7658 -149100.4166 300.6924 -183531.1824 -149002.2189 300.2519 -224.8072 -192.9645 558431.5242 8.0026 8.0880 PRESSURE: 1040600 42.1122 -66.3697 -107.248 -66.3699 0.637624 29.9638 -107.248 29.9628 -287.39 GPRESSURE: 1040600 88.0728 16.2628 -86.8028 -57.85 -21.1485 -20.2279 -172.438 66.2583 -223.874 PRESSAVG: 1040600 38.4348 58.8295 -65.8877 58.8295 -14.9599 17.9708 -65.8876 17.9708 -3.99177 GPRESSAVG: 1040600 38.8208 58.4048 -66.7016 59.3452 -15.8972 19.6007 -65.7507 17.6224 -3.6874 TIMING: 1040600 CPU: 3015.17, 0.0029188/step Wall: 3015.17, 0.0029188/step, 3.21019 hours remaining, 207.335938 MB of memory in use. ENERGY: 1040600 711.0900 2107.2021 1931.3562 112.9674 -206352.7478 17735.0607 0.0000 0.0000 34495.9272 -149259.1440 301.2615 -183755.0713 -149164.1841 300.3505 -81.5466 -52.3166 557260.2029 6.4944 6.4121 PRESSURE: 1040800 59.8201 5.48938 -101.647 5.49024 -91.6489 -13.5682 -101.646 -13.5688 180.497 GPRESSURE: 1040800 116.093 -22.1882 -68.4462 128.085 -74.9578 -11.2684 -122.24 -0.681486 198.267 PRESSAVG: 1040800 7.54137 -9.32425 24.2694 -9.32431 -51.5808 -24.7382 24.2695 -24.7383 35.5324 GPRESSAVG: 1040800 7.56698 -8.863 23.0828 -9.70235 -50.9265 -26.2314 23.1824 -24.1565 35.019 TIMING: 1040800 CPU: 3015.76, 0.00293478/step Wall: 3015.76, 0.00293478/step, 3.22761 hours remaining, 207.335938 MB of memory in use. ENERGY: 1040800 726.7081 2038.6859 1903.3056 110.8626 -206219.2859 17828.7889 0.0000 0.0000 34353.2283 -149257.7065 300.0153 -183610.9349 -149158.7505 298.8060 49.5559 79.8007 557549.8326 -2.8357 -2.7802 PRESSURE: 1041000 -163.533 -92.3708 118.903 -92.37 289.996 -22.6 118.902 -22.5993 -11.0337 GPRESSURE: 1041000 -101.59 -141.062 128.573 3.63454 291.048 -32.9852 50.6157 -34.5061 26.9545 PRESSAVG: 1041000 -18.0104 -37.5066 -3.99252 -37.5066 9.58815 -2.19317 -3.99248 -2.19315 20.9136 GPRESSAVG: 1041000 -18.6162 -38.5273 -1.53617 -35.7082 9.38084 -3.14803 -4.06894 -3.48522 22.1792 TIMING: 1041000 CPU: 3016.35, 0.00293916/step Wall: 3016.35, 0.00293916/step, 3.23226 hours remaining, 207.335938 MB of memory in use. ENERGY: 1041000 775.2746 2088.8483 1922.2035 118.0510 -206375.0575 17867.0954 0.0000 0.0000 34260.1282 -149343.4565 299.2022 -183603.5847 -149245.8641 299.0797 38.4767 72.1376 556201.7072 4.1638 4.3146 PRESSURE: 1041200 -165.192 -34.6835 -15.665 -34.6852 48.3349 -105.715 -15.6661 -105.715 -107.969 GPRESSURE: 1041200 -69.4906 8.47778 13.6966 -76.7192 29.0401 -195.584 -32.3402 -59.6567 -82.9252 PRESSAVG: 1041200 -0.747623 -35.1766 57.5983 -35.1767 -81.8158 -25.7948 57.5983 -25.7948 93.941 GPRESSAVG: 1041200 0.0896999 -32.8102 56.9001 -38.3009 -81.7581 -23.3694 58.3975 -25.0804 92.9029 TIMING: 1041200 CPU: 3016.93, 0.00292437/step Wall: 3016.93, 0.00292437/step, 3.21583 hours remaining, 207.335938 MB of memory in use. ENERGY: 1041200 767.4961 2089.5873 1916.2600 102.7346 -206219.3306 17639.1593 0.0000 0.0000 34544.7732 -149159.3201 301.6881 -183704.0933 -149065.6543 299.8440 -74.9420 -41.1252 556955.9900 3.7925 3.7448 PRESSURE: 1041400 -74.2778 -36.8874 -12.8191 -36.8868 151.361 -83.8264 -12.8183 -83.8262 -237.662 GPRESSURE: 1041400 -53.4348 10.3373 -120.942 -36.8694 181.103 -73.7971 56.544 -143.821 -187.001 PRESSAVG: 1041400 -14.1897 -36.9249 -6.05292 -36.9249 40.0854 -1.26208 -6.05292 -1.26205 -4.32332 GPRESSAVG: 1041400 -13.9793 -38.6777 -5.73663 -37.0596 40.0406 -3.26527 -6.67567 -1.85182 -4.4104 TIMING: 1041400 CPU: 3017.51, 0.00291874/step Wall: 3017.51, 0.00291874/step, 3.20947 hours remaining, 207.335938 MB of memory in use. ENERGY: 1041400 708.8015 2141.5265 1934.5741 109.3426 -205913.2706 17689.0445 0.0000 0.0000 34190.5201 -149139.4613 298.5943 -183329.9814 -149052.8866 299.1693 -53.5262 -19.7778 557762.1052 7.1908 7.2170 PRESSURE: 1041600 -11.8136 -51.107 -97.7949 -51.1071 -121.748 -92.6532 -97.7958 -92.6525 -85.3687 GPRESSURE: 1041600 66.8718 -50.4235 -134.201 8.89494 -91.5814 -133.251 -112.55 -80.0236 -112.176 PRESSAVG: 1041600 -8.67871 16.3963 11.2651 16.3963 30.5634 10.8352 11.2651 10.8351 31.7816 GPRESSAVG: 1041600 -9.7588 16.6979 10.5074 14.9547 32.9658 12.3999 12.4817 11.1514 30.5842 TIMING: 1041600 CPU: 3018.1, 0.00291215/step Wall: 3018.1, 0.00291215/step, 3.20207 hours remaining, 207.335938 MB of memory in use. ENERGY: 1041600 750.7240 2126.6037 1913.3358 113.2759 -205826.2319 17530.8048 0.0000 0.0000 34216.5435 -149174.9441 298.8216 -183391.4876 -149076.2288 299.5290 -72.9768 -45.6284 555472.4822 17.8888 17.9304 PRESSURE: 1041800 -156.201 62.4893 -324.886 62.4892 -396.519 11.8174 -324.885 11.8163 -412.403 GPRESSURE: 1041800 -94.726 55.4379 -324.694 64.3016 -391.141 13.3 -305.354 33.5913 -394.024 PRESSAVG: 1041800 67.3053 -27.2054 -26.1943 -27.2055 -2.7657 20.0368 -26.1944 20.0367 -44.5934 GPRESSAVG: 1041800 67.7557 -27.1286 -27.6381 -22.4535 -3.84228 19.6325 -26.311 18.8869 -43.682 TIMING: 1041800 CPU: 3018.68, 0.00292986/step Wall: 3018.68, 0.00292986/step, 3.22139 hours remaining, 207.335938 MB of memory in use. ENERGY: 1041800 752.8514 2126.9573 1940.0373 119.5069 -205703.5094 17456.0220 0.0000 0.0000 34274.0000 -149034.1345 299.3234 -183308.1345 -148934.2261 299.5300 -321.7078 -293.2971 558332.2855 6.6487 6.7438 PRESSURE: 1042000 -138.084 124.468 -26.0145 124.468 330.357 4.84817 -26.0143 4.84853 -5.13846 GPRESSURE: 1042000 -15.2174 109.843 44.9755 52.0673 313.798 16.0776 -75.5203 62.0529 -17.897 PRESSAVG: 1042000 -9.08504 -9.95028 -5.45557 -9.95022 50.2094 34.4467 -5.45552 34.4468 -47.4066 GPRESSAVG: 1042000 -9.77225 -9.66547 -3.60698 -13.8781 49.5487 33.2958 -6.08634 35.0845 -46.0567 TIMING: 1042000 CPU: 3019.27, 0.00291637/step Wall: 3019.27, 0.00291637/step, 3.20638 hours remaining, 207.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1042000 733.0421 2104.2329 1937.8788 107.3678 -206209.2027 17854.1222 0.0000 0.0000 34245.5433 -149227.0158 299.0748 -183472.5590 -149133.2793 299.6328 62.3784 93.5612 556758.8331 -2.0941 -2.0934 PRESSURE: 1042200 144.487 49.8716 -62.3832 49.8704 171.543 -101.106 -62.3839 -101.106 91.047 GPRESSURE: 1042200 198.386 122.657 5.49874 56.5232 213.786 -50.7951 -91.831 -49.328 83.2581 PRESSAVG: 1042200 12.283 -39.1441 17.2075 -39.144 8.78142 43.0388 17.2074 43.0388 -11.9536 GPRESSAVG: 1042200 13.1799 -39.1669 15.7462 -37.6157 8.51424 43.6813 19.1189 43.9034 -12.2145 TIMING: 1042200 CPU: 3019.85, 0.00290603/step Wall: 3019.85, 0.00290603/step, 3.19485 hours remaining, 207.390625 MB of memory in use. ENERGY: 1042200 738.5619 2071.0500 1940.2946 125.3634 -206419.0977 17995.4168 0.0000 0.0000 34451.7287 -149096.6823 300.8755 -183548.4110 -148997.4770 299.8125 135.6923 165.1433 557190.6090 3.0369 3.1599 PRESSURE: 1042400 192.361 -174.829 187.738 -174.828 243.553 -283.022 187.739 -283.022 -149.334 GPRESSURE: 1042400 229.549 -187.078 47.1267 -106.801 247.266 -348.09 281.872 -286.214 -109.676 PRESSAVG: 1042400 18.2001 9.64431 -21.7539 9.64428 23.6667 -64.0063 -21.7538 -64.0062 -50.8539 GPRESSAVG: 1042400 16.7006 7.57307 -21.3262 9.10038 25.0308 -65.5567 -22.4821 -64.4073 -51.299 TIMING: 1042400 CPU: 3020.43, 0.00292119/step Wall: 3020.43, 0.00292119/step, 3.21136 hours remaining, 207.390625 MB of memory in use. ENERGY: 1042400 751.2260 2081.2490 1968.3650 112.9130 -206171.0930 17969.9578 0.0000 0.0000 34377.8303 -148909.5518 300.2301 -183287.3821 -148812.6933 299.7107 95.5267 122.3799 555979.4353 -2.9957 -3.1892 PRESSURE: 1042600 -77.8769 83.3422 8.34232 83.3418 -138.4 22.576 8.3421 22.5761 -77.3949 GPRESSURE: 1042600 -6.43773 50.1942 -24.0207 71.5566 -34.252 0.675619 -7.98862 95.4789 -148.465 PRESSAVG: 1042600 -31.3379 29.748 -36.8788 29.7481 30.8696 -26.7366 -36.8787 -26.7365 16.1217 GPRESSAVG: 1042600 -30.563 31.3215 -35.955 29.5349 30.6911 -25.591 -36.7433 -27.6552 15.457 TIMING: 1042600 CPU: 3021.01, 0.00288933/step Wall: 3021.01, 0.00288933/step, 3.17618 hours remaining, 207.390625 MB of memory in use. ENERGY: 1042600 723.5297 2069.0442 1956.2185 111.0560 -205380.9412 17314.8832 0.0000 0.0000 34241.9813 -148964.2282 299.0437 -183206.2095 -148871.2886 300.2866 -97.8906 -63.0515 557360.1274 5.2178 5.1950 PRESSURE: 1042800 -107.435 -33.3611 -53.7629 -33.3614 -84.886 -57.9703 -53.7637 -57.9719 18.4603 GPRESSURE: 1042800 -69.8799 -9.67962 -96.2865 -15.9661 -40.1355 -63.0142 -45.8084 -65.8317 32.8504 PRESSAVG: 1042800 38.0566 23.0574 -56.1252 23.0574 -17.5069 -11.7008 -56.1252 -11.7008 1.46537 GPRESSAVG: 1042800 38.1619 21.4168 -57.2497 24.2288 -18.6487 -13.4923 -56.7884 -10.4643 2.41061 TIMING: 1042800 CPU: 3021.58, 0.00287546/step Wall: 3021.58, 0.00287546/step, 3.16077 hours remaining, 207.457031 MB of memory in use. ENERGY: 1042800 745.9465 2071.2833 1937.1165 124.7249 -205885.6865 17647.3673 0.0000 0.0000 34296.0110 -149063.2370 299.5156 -183359.2480 -148969.9512 299.8443 -57.9536 -25.7217 556186.2644 7.3384 7.3079 PRESSURE: 1043000 90.8178 -28.0691 -142.373 -28.0682 135.277 -123.098 -142.374 -123.098 322.344 GPRESSURE: 1043000 121.365 43.9035 -53.0753 52.7473 161.127 -54.7807 -197.228 -99.6661 362.834 PRESSAVG: 1043000 -81.0524 13.6638 -45.9953 13.6639 5.10651 9.03773 -45.9953 9.03766 32.6754 GPRESSAVG: 1043000 -80.8682 13.3133 -44.8271 15.7163 6.10201 8.71158 -45.6293 8.77554 31.2107 TIMING: 1043000 CPU: 3022.17, 0.00290241/step Wall: 3022.17, 0.00290241/step, 3.19023 hours remaining, 207.457031 MB of memory in use. ENERGY: 1043000 785.9534 2084.1769 1945.8993 106.7304 -206336.4931 18096.2283 0.0000 0.0000 34202.2923 -149115.2125 298.6971 -183317.5048 -149018.5957 299.9425 182.8129 215.1088 556194.9394 -14.4235 -14.5185 PRESSURE: 1043200 -206.176 -101.611 92.4232 -101.611 -307.393 37.3534 92.4219 37.356 30.3352 GPRESSURE: 1043200 -252.487 -45.1591 98.7867 -152.635 -240.013 -0.0428023 122.487 70.3347 114.104 PRESSAVG: 1043200 74.5262 23.9733 24.5994 23.9734 -29.4999 11.2126 24.5993 11.2127 -1.1344 GPRESSAVG: 1043200 73.1113 26.8514 24.3143 22.6981 -29.9243 12.1963 24.2372 10.1428 0.84133 TIMING: 1043200 CPU: 3022.75, 0.0029014/step Wall: 3022.75, 0.0029014/step, 3.18896 hours remaining, 207.457031 MB of memory in use. ENERGY: 1043200 756.1206 2093.5891 1946.0088 107.5588 -205949.3364 17568.6064 0.0000 0.0000 34259.8980 -149217.5546 299.2002 -183477.4527 -149116.0340 299.9217 -161.0779 -126.1320 557038.1286 14.6307 14.6761 PRESSURE: 1043400 -243.1 -121.343 142.827 -121.344 -31.0435 112.139 142.828 112.138 -144.341 GPRESSURE: 1043400 -220.683 -142.336 154.378 -145.094 22.3113 161.252 112.481 154.39 -123.113 PRESSAVG: 1043400 38.491 32.1234 61.8472 32.1234 -5.56841 21.448 61.8471 21.4481 -67.8241 GPRESSAVG: 1043400 39.6296 32.1641 61.4191 30.0268 -5.38356 20.7472 62.0301 24.2518 -69.8799 TIMING: 1043400 CPU: 3023.33, 0.00290796/step Wall: 3023.33, 0.00290796/step, 3.19601 hours remaining, 207.457031 MB of memory in use. ENERGY: 1043400 727.6121 2081.2785 1942.6950 102.4860 -205884.3935 17607.9495 0.0000 0.0000 34148.2439 -149274.1284 298.2251 -183422.3723 -149179.7808 299.4143 -139.4951 -107.1617 558991.1786 -11.6338 -11.8779 PRESSURE: 1043600 -56.7352 -14.8165 57.5815 -14.8176 184.636 -73.5665 57.5818 -73.5652 46.8631 GPRESSURE: 1043600 -51.6507 -89.8501 52.47 -8.86793 192.405 -79.64 36.0254 -28.1265 128.552 PRESSAVG: 1043600 -6.99637 -49.0621 29.9911 -49.0621 45.0474 26.6008 29.9912 26.6008 0.317829 GPRESSAVG: 1043600 -7.13322 -50.3268 30.858 -48.3612 44.3088 27.9163 30.097 28.3545 0.998895 TIMING: 1043600 CPU: 3023.91, 0.00292628/step Wall: 3023.91, 0.00292628/step, 3.21598 hours remaining, 207.457031 MB of memory in use. ENERGY: 1043600 759.2258 2068.8756 1933.4000 115.5408 -206234.5739 17810.6328 0.0000 0.0000 34325.3839 -149221.5150 299.7721 -183546.8989 -149119.5245 298.9151 58.2546 89.7687 556603.7860 12.7896 12.7248 PRESSURE: 1043800 -104.159 -67.0518 185.296 -67.0534 116.222 -37.3685 185.295 -37.3683 65.348 GPRESSURE: 1043800 -87.2909 -46.7626 177.673 -50.9182 153.467 -28.6614 259.407 -47.5247 105.438 PRESSAVG: 1043800 -90.8232 7.19024 69.2125 7.19009 -32.4069 43.7087 69.2126 43.7087 63.1549 GPRESSAVG: 1043800 -90.193 8.5953 69.0073 8.10578 -33.0526 44.2895 69.3899 38.3779 63.1549 TIMING: 1043800 CPU: 3024.5, 0.00292832/step Wall: 3024.5, 0.00292832/step, 3.21806 hours remaining, 207.457031 MB of memory in use. ENERGY: 1043800 767.8534 2130.0786 1939.9028 123.0699 -206299.6136 17858.1783 0.0000 0.0000 34382.4149 -149098.1157 300.2702 -183480.5306 -149004.6992 299.5303 25.8038 57.2048 557023.5038 -20.0251 -20.0302 PRESSURE: 1044000 -57.0166 87.7193 -11.7945 87.7181 -344.133 26.9454 -11.7944 26.9456 -116.742 GPRESSURE: 1044000 -49.263 110.169 -46.4855 99.4891 -300.578 56.5853 50.5715 118.145 -84.7119 PRESSAVG: 1044000 -68.3707 -55.9924 29.5029 -55.9924 27.9703 29.0883 29.5028 29.0883 6.24641 GPRESSAVG: 1044000 -69.3811 -55.3032 30.1965 -56.4687 29.2216 27.8824 29.4353 32.6868 5.68922 TIMING: 1044000 CPU: 3025.08, 0.00289239/step Wall: 3025.08, 0.00289239/step, 3.17842 hours remaining, 207.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1044000 775.9722 2099.8508 1929.6633 110.2142 -205935.1306 17711.5515 0.0000 0.0000 34334.2300 -148973.6486 299.8494 -183307.8786 -148884.2195 299.4612 -172.6306 -144.8509 557095.9974 -11.3847 -11.4901 PRESSURE: 1044200 -132.878 -29.7932 47.7457 -29.793 130.407 174.363 47.7451 174.363 -177.554 GPRESSURE: 1044200 -59.4471 -13.1701 72.9053 5.21161 138.438 134.723 -29.532 67.2425 -153.696 PRESSAVG: 1044200 -23.5267 32.4664 -4.79866 32.4664 16.4443 94.8817 -4.79863 94.8816 33.1945 GPRESSAVG: 1044200 -22.764 30.4267 -5.36804 32.6954 14.8975 95.6891 -5.09874 94.7913 33.9262 TIMING: 1044200 CPU: 3025.66, 0.00290776/step Wall: 3025.66, 0.00290776/step, 3.19514 hours remaining, 207.457031 MB of memory in use. ENERGY: 1044200 766.4509 2083.9624 1947.3192 116.1008 -205925.2215 17738.6721 0.0000 0.0000 34167.3333 -149105.3829 298.3918 -183272.7162 -149005.7174 299.2294 -60.0084 -24.9015 557343.1727 8.7041 8.6865 LDB: ============= START OF LOAD BALANCING ============== 3029.05 LDB: ============== END OF LOAD BALANCING =============== 3029.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3029.05 LDB: ============= START OF LOAD BALANCING ============== 3029.34 LDB: Largest compute 4820 load 0.023983 is 20.3% of average load 0.118108 LDB: Average compute 0.001711 is 1.4% of average load 0.118108 LDB: TIME 3029.35 LOAD: AVG 0.118108 MAX 0.184569 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.539 MB LDB: TIME 3029.35 LOAD: AVG 0.118108 MAX 0.184569 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: TIME 3029.35 LOAD: AVG 0.118108 MAX 0.184569 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: ============== END OF LOAD BALANCING =============== 3029.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3029.35 PRESSURE: 1044400 60.8415 6.63187 193.057 6.63315 -182.7 124.081 193.056 124.083 -72.1365 GPRESSURE: 1044400 87.4659 -39.4273 190.973 -50.3836 -164.499 77.4172 211.605 172.698 -22.0816 PRESSAVG: 1044400 8.53922 -31.1674 55.9483 -31.1673 -17.1177 16.5321 55.9483 16.5322 4.87041 GPRESSAVG: 1044400 8.02105 -30.3821 56.3776 -31.2515 -16.1101 16.0383 54.3042 14.5168 4.47152 TIMING: 1044400 CPU: 3026.26, 0.00298958/step Wall: 3026.26, 0.00298958/step, 3.28489 hours remaining, 206.765625 MB of memory in use. ENERGY: 1044400 740.2372 2091.5627 1910.4120 119.8403 -206226.5630 17698.4377 0.0000 0.0000 34495.5671 -149170.5061 301.2584 -183666.0731 -149074.0377 299.9462 -64.6651 -33.0381 556867.0782 -1.2360 -1.2059 PRESSURE: 1044600 33.4372 -49.849 83.3286 -49.8496 126.674 143.987 83.3277 143.987 68.753 GPRESSURE: 1044600 36.0103 -41.3447 123.699 -76.6282 227.606 172.274 126.456 119.427 77.3194 PRESSAVG: 1044600 -1.9366 -27.8479 41.8065 -27.8479 -1.85143 55.7985 41.8065 55.7985 20.1199 GPRESSAVG: 1044600 -2.1577 -27.0986 40.788 -29.0179 -1.93921 55.8592 42.7893 56.0906 20.1738 TIMING: 1044600 CPU: 3026.84, 0.00291383/step Wall: 3026.84, 0.00291383/step, 3.20149 hours remaining, 206.765625 MB of memory in use. ENERGY: 1044600 750.0773 2117.2483 1911.9085 111.3284 -206228.0495 17738.6984 0.0000 0.0000 34518.8780 -149079.9107 301.4619 -183598.7886 -148977.2778 299.7885 76.2880 113.6452 556741.1000 5.4440 5.3590 PRESSURE: 1044800 -33.3186 -17.9781 -72.3281 -17.9765 -231.055 145.591 -72.3271 145.592 51.2637 GPRESSURE: 1044800 -33.9778 7.73032 -48.286 -36.3012 -102.754 76.4368 -82.3165 50.8186 4.49845 PRESSAVG: 1044800 -36.0376 -34.335 57.6679 -34.3349 25.0396 32.525 57.6679 32.525 -8.19669 GPRESSAVG: 1044800 -36.1161 -33.4313 58.2975 -34.8265 24.6273 32.9811 59.1714 31.1052 -8.7409 TIMING: 1044800 CPU: 3027.42, 0.0029273/step Wall: 3027.42, 0.0029273/step, 3.21613 hours remaining, 206.765625 MB of memory in use. ENERGY: 1044800 757.3981 2103.4851 1952.7046 130.3721 -205967.0318 17671.4627 0.0000 0.0000 34291.1488 -149060.4604 299.4731 -183351.6092 -148962.9668 299.9449 -71.0366 -44.0778 557621.8372 -6.3982 -6.7432 PRESSURE: 1045000 -134.252 -79.5934 98.5894 -79.5946 -47.1563 37.6948 98.5893 37.6945 -21.4843 GPRESSURE: 1045000 -122.7 1.05021 34.2744 -171.363 25.7101 37.2681 184.239 -84.4743 -8.05139 PRESSAVG: 1045000 20.5038 -12.6816 42.9092 -12.6817 -45.1706 31.3308 42.9091 31.3309 -28.4926 GPRESSAVG: 1045000 19.3143 -14.465 40.8431 -10.9063 -43.0637 30.6348 44.3601 33.4221 -28.5581 TIMING: 1045000 CPU: 3028.01, 0.0029242/step Wall: 3028.01, 0.0029242/step, 3.21255 hours remaining, 206.765625 MB of memory in use. ENERGY: 1045000 757.6183 2140.9237 1951.3880 111.8571 -206036.8286 17707.3250 0.0000 0.0000 34297.7514 -149069.9651 299.5308 -183367.7165 -148974.0265 300.0676 -67.6307 -35.0136 557187.0359 -17.7198 -17.4358 PRESSURE: 1045200 113.13 0.907048 101.627 0.905801 303.333 87.1471 101.627 87.1472 -23.9114 GPRESSURE: 1045200 134.389 -44.3665 94.9396 109.572 372.118 76.3694 177.24 125.277 -18.4907 PRESSAVG: 1045200 -41.731 3.30077 55.8068 3.30072 -10.1657 74.1253 55.8069 74.1255 37.9404 GPRESSAVG: 1045200 -40.9148 1.87227 58.265 4.07317 -10.6444 72.8453 55.6796 74.6669 38.2381 TIMING: 1045200 CPU: 3028.6, 0.00293655/step Wall: 3028.6, 0.00293655/step, 3.22596 hours remaining, 206.765625 MB of memory in use. ENERGY: 1045200 737.9590 2088.8467 1913.8921 113.6036 -206350.7120 17939.4772 0.0000 0.0000 34480.4423 -149076.4912 301.1263 -183556.9335 -148974.0327 300.2635 130.8505 162.6723 555444.0303 -4.6521 -4.4404 PRESSURE: 1045400 -16.7262 -20.2436 -208.275 -20.2437 -188.846 -155.402 -208.275 -155.402 -12.2974 GPRESSURE: 1045400 67.1735 -7.70634 -168.786 44.32 -226.702 -119.854 -180.125 -137.079 36.3722 PRESSAVG: 1045400 22.1199 36.8193 -12.777 36.8193 -9.96221 41.33 -12.777 41.33 -4.7586 GPRESSAVG: 1045400 22.7646 36.7828 -13.0832 37.0484 -10.6796 43.0497 -12.9803 41.4249 -4.33022 TIMING: 1045400 CPU: 3029.18, 0.00291244/step Wall: 3029.18, 0.00291244/step, 3.19932 hours remaining, 206.765625 MB of memory in use. ENERGY: 1045400 730.3465 2140.6818 1928.6216 120.8520 -205943.3712 17580.2416 0.0000 0.0000 34418.5185 -149024.1093 300.5855 -183442.6278 -148927.9321 299.7911 -72.6233 -41.0521 558752.8452 2.4664 2.5849 PRESSURE: 1045600 -30.6115 -40.5848 100.229 -40.5845 128.557 103.035 100.23 103.036 121.632 GPRESSURE: 1045600 -52.1044 -11.8703 12.9046 8.76544 145.762 51.9536 137.76 93.2524 211.555 PRESSAVG: 1045600 7.15112 -26.2282 -13.4957 -26.2281 13.7573 74.554 -13.4956 74.5539 -0.150731 GPRESSAVG: 1045600 5.25923 -23.8662 -14.7896 -27.761 14.3827 72.1718 -14.039 74.2773 0.313963 TIMING: 1045600 CPU: 3029.76, 0.00288396/step Wall: 3029.76, 0.00288396/step, 3.16787 hours remaining, 206.765625 MB of memory in use. ENERGY: 1045600 756.9750 2114.4664 1952.3463 120.3973 -206542.0563 17991.6573 0.0000 0.0000 34475.1825 -149131.0315 301.0803 -183606.2139 -149038.0903 299.6008 73.1926 101.7377 558000.4474 6.9192 6.6520 PRESSURE: 1045800 160.136 -42.1444 31.1596 -42.1442 -187.868 54.1535 31.1603 54.1534 66.5976 GPRESSURE: 1045800 182.883 -100.415 23.725 -52.5488 -139.864 51.8841 75.7353 19.296 100.854 PRESSAVG: 1045800 9.07933 -28.1475 8.49986 -28.1475 -18.815 27.2293 8.49976 27.2293 12.9939 GPRESSAVG: 1045800 10.3713 -31.2355 7.58858 -27.0129 -19.0899 29.4098 9.68094 26.6799 12.1205 TIMING: 1045800 CPU: 3030.34, 0.00290009/step Wall: 3030.34, 0.00290009/step, 3.18542 hours remaining, 206.765625 MB of memory in use. ENERGY: 1045800 761.5311 2066.8192 1928.4681 114.4144 -206498.5366 18016.0517 0.0000 0.0000 34381.9030 -149229.3491 300.2657 -183611.2521 -149135.1633 299.5326 12.9554 47.9577 558175.5775 1.0861 1.1340 PRESSURE: 1046000 -164.274 -23.3351 214.45 -23.3351 25.1029 99.2715 214.45 99.2711 230.33 GPRESSURE: 1046000 -104.031 -99.6629 187.366 56.7037 83.5279 116.444 165.314 78.7334 204.329 PRESSAVG: 1046000 -29.8774 -59.5962 25.7175 -59.5962 -19.8378 13.4646 25.7175 13.4647 65.3633 GPRESSAVG: 1046000 -29.2267 -58.5156 27.5782 -60.9013 -20.7801 11.8604 25.466 14.4997 66.1421 TIMING: 1046000 CPU: 3030.92, 0.00292897/step Wall: 3030.92, 0.00292897/step, 3.21698 hours remaining, 206.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1046000 728.2441 2119.1266 1919.8262 114.5056 -206309.9423 17841.0395 0.0000 0.0000 34303.0300 -149284.1703 299.5769 -183587.2004 -149185.2297 299.2806 30.3863 61.2755 558178.5820 5.2160 5.3784 PRESSURE: 1046200 125.996 70.9335 135.439 70.9336 -85.8134 70.1422 135.439 70.1411 -13.4503 GPRESSURE: 1046200 174.114 119.072 115.842 49.1273 -66.3587 106.038 155.742 48.917 9.61759 PRESSAVG: 1046200 -8.79025 16.3122 -38.4979 16.3122 -23.5263 45.4874 -38.4979 45.4874 34.6322 GPRESSAVG: 1046200 -9.35972 17.686 -39.8671 16.8842 -22.9635 45.9454 -37.7313 43.5972 34.3414 TIMING: 1046200 CPU: 3031.5, 0.0029169/step Wall: 3031.5, 0.0029169/step, 3.20356 hours remaining, 206.765625 MB of memory in use. ENERGY: 1046200 742.4900 2085.3226 1931.0932 115.6698 -206437.7609 17974.5460 0.0000 0.0000 34067.2180 -149521.4213 297.5175 -183588.6394 -149431.0519 298.5699 8.9107 39.1244 558199.7386 0.7719 0.6727 PRESSURE: 1046400 93.9818 3.18424 19.3459 3.18367 92.5108 182.732 19.345 182.733 201.104 GPRESSURE: 1046400 81.395 -51.1756 24.5228 54.7204 121.917 145.562 -27.9706 159.02 266.662 PRESSAVG: 1046400 -14.4351 20.6216 -1.06556 20.6216 6.60668 15.2682 -1.06548 15.2681 35.9297 GPRESSAVG: 1046400 -14.6603 20.1954 -1.42735 21.439 6.22876 16.3425 -3.0629 15.1624 37.0143 TIMING: 1046400 CPU: 3032.09, 0.00291699/step Wall: 3032.09, 0.002917/step, 3.20351 hours remaining, 206.765625 MB of memory in use. ENERGY: 1046400 723.0572 2065.9021 1940.2231 100.2926 -206443.0147 18256.7958 0.0000 0.0000 33915.9338 -149440.8101 296.1963 -183356.7439 -149341.7632 298.7538 129.1988 156.6579 558900.4006 9.3671 9.5276 PRESSURE: 1046600 -58.1722 90.3076 -13.637 90.3073 -147 72.4127 -13.6359 72.4132 -218.784 GPRESSURE: 1046600 -26.4625 31.041 16.856 115.356 -81.2292 60.413 34.2698 51.5517 -222.864 PRESSAVG: 1046600 20.0372 -20.4475 -32.2008 -20.4476 10.011 57.6635 -32.2008 57.6634 -24.8675 GPRESSAVG: 1046600 20.7115 -20.7501 -30.5643 -19.7335 11.2142 56.5549 -32.633 60.033 -26.4359 TIMING: 1046600 CPU: 3032.67, 0.00293455/step Wall: 3032.67, 0.00293455/step, 3.22263 hours remaining, 206.765625 MB of memory in use. ENERGY: 1046600 729.7191 2051.6397 1944.6728 110.0564 -206115.1122 17649.4192 0.0000 0.0000 34199.1225 -149430.4825 298.6694 -183629.6050 -149332.2028 297.8877 -141.3187 -110.1852 558943.7570 1.7269 1.8299 PRESSURE: 1046800 -149.128 10.2869 -66.8763 10.2875 -241.22 32.8691 -66.8778 32.8699 19.2637 GPRESSURE: 1046800 -165.814 -36.2165 -39.6724 50.8275 -176.659 69.5259 27.8103 74.8691 79.7808 PRESSAVG: 1046800 -16.0247 1.47959 35.8093 1.47956 54.3507 60.0513 35.8093 60.0512 -51.1623 GPRESSAVG: 1046800 -16.71 2.51794 36.6692 0.787027 54.0553 61.6919 36.2628 55.0565 -50.6836 TIMING: 1046800 CPU: 3033.26, 0.00291884/step Wall: 3033.26, 0.00291884/step, 3.20521 hours remaining, 206.765625 MB of memory in use. ENERGY: 1046800 733.2622 2061.6763 1970.4173 108.2002 -206380.8128 17694.9786 0.0000 0.0000 34205.0489 -149607.2292 298.7212 -183812.2781 -149509.5865 298.2963 -123.6945 -87.5639 557713.9519 -4.2787 -4.4461 PRESSURE: 1047000 48.5835 62.4256 -69.9875 62.4258 -110.457 -32.8448 -69.9886 -32.8458 101.303 GPRESSURE: 1047000 98.9893 26.2651 -157.208 17.7881 -42.732 -17.3687 -68.223 -19.056 86.5247 PRESSAVG: 1047000 20.9905 -34.2018 -2.34019 -34.2018 -79.2397 16.8417 -2.34027 16.8418 72.5044 GPRESSAVG: 1047000 20.7135 -34.4846 -3.9684 -34.0661 -79.0847 14.998 -1.92556 20.6562 72.3878 TIMING: 1047000 CPU: 3033.84, 0.00291955/step Wall: 3033.84, 0.00291955/step, 3.20583 hours remaining, 206.765625 MB of memory in use. ENERGY: 1047000 755.6456 2118.3396 1940.3085 115.4024 -206239.9311 17783.6071 0.0000 0.0000 34077.7906 -149448.8373 297.6098 -183526.6278 -149359.4355 297.6055 13.1431 47.5940 556699.5751 4.7517 4.6722 PRESSURE: 1047200 -175.971 22.2037 47.0943 22.2043 -100.115 -59.9642 47.0954 -59.9647 -1.70236 GPRESSURE: 1047200 -137.377 10.1605 25.7844 71.6545 -74.3518 -35.3182 132.017 -49.9085 25.7236 PRESSAVG: 1047200 -42.6421 20.9262 31.6615 20.9262 -7.48297 42.8728 31.6616 42.8729 67.0241 GPRESSAVG: 1047200 -42.6618 21.4178 31.565 19.7271 -7.13047 44.2964 31.652 42.9857 66.8747 TIMING: 1047200 CPU: 3034.42, 0.00290872/step Wall: 3034.42, 0.00290872/step, 3.19378 hours remaining, 206.765625 MB of memory in use. ENERGY: 1047200 718.0226 2081.6682 1955.2485 117.3779 -206284.6242 17727.8387 0.0000 0.0000 34128.5853 -149555.8829 298.0534 -183684.4683 -149459.7187 298.0821 -92.5959 -62.0016 557821.8559 5.6330 5.6942 PRESSURE: 1047400 73.4346 47.6835 -77.3141 47.6841 99.885 -62.682 -77.3129 -62.6812 165.061 GPRESSURE: 1047400 62.5943 135.853 -80.3828 53.1756 146.442 64.8543 -116.043 -144.046 220.408 PRESSAVG: 1047400 -15.6305 7.65812 25.0064 7.65807 16.9061 43.2963 25.0064 43.2964 22.3543 GPRESSAVG: 1047400 -14.9656 6.55132 25.5995 8.50195 16.4508 41.5054 24.2345 42.4519 22.7076 TIMING: 1047400 CPU: 3035, 0.00289318/step Wall: 3035, 0.00289318/step, 3.17655 hours remaining, 206.765625 MB of memory in use. ENERGY: 1047400 748.9261 2056.5747 1933.0435 118.9792 -206437.1773 17891.6784 0.0000 0.0000 34084.2185 -149603.7568 297.6660 -183687.9754 -149506.9235 298.0313 112.7935 143.1483 557153.2965 7.8767 8.0643 PRESSURE: 1047600 -91.9717 -94.3757 54.1484 -94.3756 -264.727 -37.6824 54.1471 -37.6825 -81.0377 GPRESSURE: 1047600 -36.7774 -69.363 62.9186 -65.9679 -212.128 0.192944 -13.015 -37.4027 -94.6033 PRESSAVG: 1047600 -10.9101 -21.9503 -12.0126 -21.9503 -32.8812 38.0101 -12.0125 38.0101 37.0089 GPRESSAVG: 1047600 -12.2728 -20.8931 -9.51707 -23.1974 -32.6758 38.6664 -13.7482 39.8347 38.2667 TIMING: 1047600 CPU: 3035.58, 0.00289268/step Wall: 3035.58, 0.00289268/step, 3.17585 hours remaining, 206.765625 MB of memory in use. ENERGY: 1047600 716.3724 2085.1005 1950.0753 109.9168 -206099.3053 17769.5669 0.0000 0.0000 34059.4084 -149408.8650 297.4493 -183468.2734 -149314.7872 298.3117 -145.9122 -114.5030 558742.8634 -2.2608 -2.2273 PRESSURE: 1047800 125.936 41.6945 16.04 41.6951 222.633 154.962 16.0403 154.962 33.4004 GPRESSURE: 1047800 149.951 48.2702 -23.0737 3.7822 227.908 107.983 60.8348 154.621 96.3554 PRESSAVG: 1047800 7.84065 -35.0945 32.8318 -35.0944 -70.9391 42.4612 32.8317 42.4611 57.2029 GPRESSAVG: 1047800 9.23508 -36.8355 29.8497 -35.0813 -70.5028 43.3464 34.7039 40.837 54.8448 TIMING: 1047800 CPU: 3036.16, 0.00288928/step Wall: 3036.16, 0.00288928/step, 3.17195 hours remaining, 206.765625 MB of memory in use. ENERGY: 1047800 734.0518 2064.4938 1966.0540 121.5249 -206495.4370 17869.4031 0.0000 0.0000 34457.6116 -149282.2979 300.9269 -183739.9095 -149185.9726 298.6325 127.3229 158.0716 557737.3761 -1.9652 -2.1410 PRESSURE: 1048000 39.2366 55.5511 74.5889 55.5499 55.539 -212.557 74.5895 -212.557 -45.3965 GPRESSURE: 1048000 53.1904 -24.9507 93.5198 167.688 112.457 -187.721 32.2443 -143.553 -22.7449 PRESSAVG: 1048000 -50.3538 -12.5693 23.5288 -12.5693 32.9645 -25.1168 23.5288 -25.1168 59.5456 GPRESSAVG: 1048000 -50.4447 -14.0891 24.7512 -9.5421 33.5969 -26.9429 23.3268 -23.2119 58.5704 TIMING: 1048000 CPU: 3036.73, 0.00286932/step Wall: 3036.73, 0.00286932/step, 3.14987 hours remaining, 206.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1048000 765.7831 2141.3954 1914.1528 111.4964 -206116.5981 17767.6052 0.0000 0.0000 34360.7973 -149055.3679 300.0814 -183416.1652 -148965.1149 299.6846 16.4597 47.6341 557240.5157 14.0521 13.9075 PRESSURE: 1048200 -411.604 70.8618 27.4149 70.8615 -220.581 57.2644 27.414 57.2638 -107.213 GPRESSURE: 1048200 -337.2 66.4355 62.5173 16.1745 -227.671 128.673 -27.7516 41.336 -70.0038 PRESSAVG: 1048200 -85.6551 -2.86969 12.8614 -2.86967 90.3252 -57.1613 12.8614 -57.1613 -40.6906 GPRESSAVG: 1048200 -85.9387 1.1451 11.8683 -4.4338 89.8892 -57.5873 12.7784 -57.9666 -39.6183 TIMING: 1048200 CPU: 3037.31, 0.00288324/step Wall: 3037.31, 0.00288324/step, 3.16499 hours remaining, 206.765625 MB of memory in use. ENERGY: 1048200 784.5524 2155.8071 1922.3400 117.2220 -205526.5393 17531.1715 0.0000 0.0000 34072.2796 -148943.1667 297.5617 -183015.4463 -148846.0798 299.4206 -246.4661 -211.6249 560035.3063 -12.0068 -11.8893 LDB: ============= START OF LOAD BALANCING ============== 3040.69 LDB: ============== END OF LOAD BALANCING =============== 3040.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3040.7 LDB: ============= START OF LOAD BALANCING ============== 3040.99 LDB: Largest compute 4822 load 0.022522 is 19.1% of average load 0.118084 LDB: Average compute 0.001704 is 1.4% of average load 0.118084 LDB: TIME 3040.99 LOAD: AVG 0.118084 MAX 0.182248 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.262 MB LDB: TIME 3040.99 LOAD: AVG 0.118084 MAX 0.182248 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.262 MB LDB: TIME 3040.99 LOAD: AVG 0.118084 MAX 0.182248 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3040.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3041 PRESSURE: 1048400 -329.844 100.653 63.0303 100.651 -95.0536 -65.9477 63.0321 -65.9473 30.2635 GPRESSURE: 1048400 -249.308 161.063 33.6291 117.562 -122.324 -5.87521 110.178 13.1667 71.5422 PRESSAVG: 1048400 -4.63199 -29.4666 44.5638 -29.4667 35.4605 -52.0761 44.5638 -52.0761 -40.3715 GPRESSAVG: 1048400 -5.67959 -32.9627 44.7739 -29.025 36.0001 -50.7393 45.9311 -51.3918 -39.4314 TIMING: 1048400 CPU: 3037.9, 0.0029524/step Wall: 3037.9, 0.0029524/step, 3.24076 hours remaining, 207.031250 MB of memory in use. ENERGY: 1048400 755.8523 2149.7759 1935.4409 111.5339 -205862.6861 17674.5178 0.0000 0.0000 34204.4474 -149031.1178 298.7159 -183235.5652 -148934.6435 299.6087 -131.5447 -100.0299 558387.1923 -3.1810 -3.0370 PRESSURE: 1048600 211.1 118.023 -138.891 118.023 -5.7919 117.491 -138.89 117.49 110.141 GPRESSURE: 1048600 229.155 123.777 -155.426 181.52 22.4788 192.499 -125.107 117.664 155.662 PRESSAVG: 1048600 -13.827 24.8656 28.3017 24.8656 -11.7323 18.1554 28.3016 18.1555 19.757 GPRESSAVG: 1048600 -12.3838 26.666 29.5464 22.2466 -12.2965 18.4067 26.6376 16.5118 18.7087 TIMING: 1048600 CPU: 3038.48, 0.0028836/step Wall: 3038.48, 0.0028836/step, 3.16508 hours remaining, 207.031250 MB of memory in use. ENERGY: 1048600 730.1796 2086.1430 1940.0098 114.5717 -206255.7243 18124.7205 0.0000 0.0000 34086.5195 -149173.5802 297.6861 -183260.0997 -149075.0114 299.7711 105.1496 135.7654 557665.1071 -1.9341 -1.9905 PRESSURE: 1048800 -79.0965 72.1286 -104.348 72.1291 99.2831 143.755 -104.347 143.754 -248.396 GPRESSURE: 1048800 -16.1041 36.1288 -135.349 130.396 107.26 90.3079 -87.3022 224.123 -218.146 PRESSAVG: 1048800 -32.0269 3.93964 -19.1677 3.93966 8.74269 2.79706 -19.1677 2.79705 22.9352 GPRESSAVG: 1048800 -33.52 3.37799 -21.0179 6.98111 9.18808 2.84048 -19.0802 2.54272 23.4345 TIMING: 1048800 CPU: 3039.06, 0.00289163/step Wall: 3039.06, 0.00289163/step, 3.17372 hours remaining, 207.031250 MB of memory in use. ENERGY: 1048800 798.6477 2058.6450 1913.5650 115.9487 -206097.6984 17970.3801 0.0000 0.0000 34100.8534 -149139.6585 297.8112 -183240.5120 -149047.4801 299.2241 -76.0697 -42.3300 557831.3029 -0.1163 -0.2991 PRESSURE: 1049000 290.563 -82.6011 -132.159 -82.6032 10.0463 -71.0799 -132.158 -71.0791 459.452 GPRESSURE: 1049000 325.366 -106.428 -161.432 -125.184 77.0079 -2.8837 -108.305 -69.0166 459.283 PRESSAVG: 1049000 -4.87844 -34.4036 27.0013 -34.4036 -40.7183 18.8254 27.0013 18.8254 59.2614 GPRESSAVG: 1049000 -3.64735 -34.3506 25.1567 -36.6811 -40.8352 19.0601 29.54 20.3017 58.5344 TIMING: 1049000 CPU: 3039.63, 0.00287854/step Wall: 3039.63, 0.00287854/step, 3.15919 hours remaining, 207.031250 MB of memory in use. ENERGY: 1049000 732.8360 2108.7878 1933.5378 114.9768 -206452.8459 18107.7859 0.0000 0.0000 34221.5985 -149233.3231 298.8657 -183454.9216 -149144.8856 299.6926 253.3538 287.2191 556020.7829 4.5549 4.6839 PRESSURE: 1049200 -129.121 -239.746 25.757 -239.747 60.2481 130.685 25.7558 130.687 -218.514 GPRESSURE: 1049200 -54.7219 -111.406 24.0146 -307.75 55.3148 106.48 45.328 130.009 -174.667 PRESSAVG: 1049200 15.7117 39.9341 74.1471 39.9341 -48.1898 -36.4976 74.1471 -36.4976 35.3309 GPRESSAVG: 1049200 14.1504 39.3394 75.4005 40.6912 -49.5587 -37.285 73.0678 -37.5129 37.6069 TIMING: 1049200 CPU: 3040.21, 0.00290426/step Wall: 3040.21, 0.00290426/step, 3.18727 hours remaining, 207.031250 MB of memory in use. ENERGY: 1049200 725.7933 2086.7261 1929.7252 102.8909 -205978.0154 17675.9946 0.0000 0.0000 34304.0716 -149152.8136 299.5860 -183456.8853 -149053.6492 298.6719 -95.7957 -58.0248 557820.5073 0.9510 0.7329 PRESSURE: 1049400 385.194 -119.149 27.1503 -119.148 126.064 -98.5901 27.1495 -98.5917 -24.9962 GPRESSURE: 1049400 409.299 -208.814 83.7074 -103.366 155.825 -43.4352 30.7253 -95.0346 25.8374 PRESSAVG: 1049400 57.6517 51.2315 14.5655 51.2314 -86.577 3.49909 14.5656 3.49917 22.4476 GPRESSAVG: 1049400 58.5351 50.1812 15.0599 51.7059 -83.3577 5.53042 14.2577 2.36103 19.1873 TIMING: 1049400 CPU: 3040.79, 0.00291324/step Wall: 3040.79, 0.00291324/step, 3.19696 hours remaining, 207.031250 MB of memory in use. ENERGY: 1049400 746.7068 2080.3994 1935.2995 121.7062 -206406.0824 18077.1282 0.0000 0.0000 34401.6528 -149043.1895 300.4382 -183444.8423 -148949.8215 299.9878 162.0874 196.9872 557313.4269 -2.1592 -1.8785 PRESSURE: 1049600 -83.234 -100.861 -4.03048 -100.863 145.475 138.104 -4.03231 138.102 62.2346 GPRESSURE: 1049600 -35.1017 -116.178 -0.348774 -99.3789 140.861 103.395 -1.50525 96.9299 122.841 PRESSAVG: 1049600 57.863 -45.4496 14.2864 -45.4497 -30.3444 26.3448 14.2864 26.3448 27.7986 GPRESSAVG: 1049600 58.3565 -45.729 15.9617 -43.8439 -32.5431 24.5342 14.7443 25.5157 29.7604 TIMING: 1049600 CPU: 3041.38, 0.00291297/step Wall: 3041.38, 0.00291297/step, 3.1965 hours remaining, 207.031250 MB of memory in use. ENERGY: 1049600 743.3446 2127.5419 1923.4815 125.9183 -206271.4372 17880.9782 0.0000 0.0000 34369.8274 -149100.3453 300.1603 -183470.1727 -148998.4078 299.7415 41.4918 76.2001 556609.6443 18.4390 18.5246 PRESSURE: 1049800 258.811 -80.1728 -101.998 -80.1743 83.8901 104.737 -101.999 104.736 -84.6053 GPRESSURE: 1049800 282.591 -82.9675 -102.079 -72.2979 107.415 144.723 -142.695 49.9753 -46.6291 PRESSAVG: 1049800 87.5663 -51.7833 -3.62623 -51.7833 -53.3072 27.6485 -3.62622 27.6485 -20.8089 GPRESSAVG: 1049800 86.9669 -51.4577 -5.13999 -52.4613 -52.7083 27.8323 -3.18963 28.9949 -20.7824 TIMING: 1049800 CPU: 3041.95, 0.0028776/step Wall: 3041.95, 0.0028776/step, 3.15752 hours remaining, 207.031250 MB of memory in use. ENERGY: 1049800 745.7740 2045.8151 1980.9601 127.1644 -206351.8089 17865.4573 0.0000 0.0000 34499.6993 -149086.9387 301.2945 -183586.6381 -148989.5313 300.3529 86.0318 114.4588 556886.0522 4.4834 4.4921 PRESSURE: 1050000 -39.7525 71.4929 -91.8806 71.4902 -129.51 -16.7753 -91.879 -16.774 -19.3803 GPRESSURE: 1050000 -31.1455 122.87 -98.2848 46.0408 -60.2222 -12.9836 -71.6943 3.98716 -4.51922 PRESSAVG: 1050000 43.8491 3.14407 -42.296 3.14405 -6.84841 23.2815 -42.2959 23.2816 -32.3121 GPRESSAVG: 1050000 44.6645 5.58999 -39.0622 0.685235 -7.56763 25.4777 -44.4332 22.7858 -32.3865 TIMING: 1050000 CPU: 3042.53, 0.00287146/step Wall: 3042.53, 0.00287146/step, 3.15063 hours remaining, 207.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1050000 750.5967 2126.7870 1967.4150 99.7655 -205761.7700 17622.9652 0.0000 0.0000 34209.5764 -148984.6641 298.7607 -183194.2406 -148889.1523 299.8240 -62.8809 -31.9623 558800.3150 1.5629 1.5701 PRESSURE: 1050200 283.284 -140.773 -37.3269 -140.772 63.3487 -74.1664 -37.3262 -74.1662 114.715 GPRESSURE: 1050200 246.199 -173.153 1.95989 -92.3436 113.771 -138.516 30.7067 35.8395 186.995 PRESSAVG: 1050200 33.1177 4.06479 -21.0024 4.0649 -12.1469 37.3886 -21.0023 37.3886 35.8172 GPRESSAVG: 1050200 31.6032 2.71735 -23.4943 5.60573 -11.2429 35.5744 -19.0342 40.393 36.5129 TIMING: 1050200 CPU: 3043.1, 0.00288288/step Wall: 3043.1, 0.00288288/step, 3.163 hours remaining, 207.031250 MB of memory in use. ENERGY: 1050200 754.6159 2044.1629 1947.3877 107.3196 -206255.5490 17960.4730 0.0000 0.0000 34475.8149 -148965.7750 301.0859 -183441.5899 -148869.7831 299.8999 153.7827 182.3216 555706.9613 18.9294 18.9577 PRESSURE: 1050400 -41.5822 -123.949 -103.302 -123.949 -89.649 4.35934 -103.302 4.36026 23.2743 GPRESSURE: 1050400 -4.03009 -54.8034 -124.277 -104.675 -23.048 46.7452 -91.3907 -93.444 12.481 PRESSAVG: 1050400 9.70759 -69.6732 -13.62 -69.6732 -37.5198 81.0174 -13.6199 81.0174 51.3352 GPRESSAVG: 1050400 11.2041 -69.4354 -13.7622 -70.221 -37.0583 83.4394 -13.4274 79.3949 49.0536 TIMING: 1050400 CPU: 3043.68, 0.00290038/step Wall: 3043.68, 0.00290038/step, 3.18204 hours remaining, 207.031250 MB of memory in use. ENERGY: 1050400 773.9957 2081.2016 1928.4994 129.0511 -205824.5064 17575.6159 0.0000 0.0000 34245.4658 -149090.6770 299.0742 -183336.1428 -148993.8220 299.7757 -35.9856 -4.8657 556664.8329 7.8410 7.7331 PRESSURE: 1050600 -150.343 -116.055 82.3298 -116.055 62.539 -98.2442 82.3299 -98.2425 -68.5444 GPRESSURE: 1050600 -70.096 -29.0562 66.0148 -181.704 58.9271 -122.791 -25.9807 -57.272 -37.7617 PRESSAVG: 1050600 29.1775 -67.3248 -64.0995 -67.3248 30.0201 31.4204 -64.0995 31.4203 -61.1434 GPRESSAVG: 1050600 29.4738 -66.1105 -63.5636 -68.3739 28.5131 31.2396 -66.3927 30.6035 -59.6486 TIMING: 1050600 CPU: 3044.26, 0.0028943/step Wall: 3044.26, 0.0028943/step, 3.1752 hours remaining, 207.031250 MB of memory in use. ENERGY: 1050600 798.5365 2094.7014 1951.4194 131.5838 -206118.3716 17655.4944 0.0000 0.0000 34201.6375 -149284.9986 298.6914 -183486.6361 -149193.5376 298.7782 -52.1160 -16.3102 556520.9627 -0.6486 -0.5539 PRESSURE: 1050800 -152.747 -36.6008 31.8006 -36.5999 -43.1196 -11.801 31.7999 -11.8015 -243.239 GPRESSURE: 1050800 -122.994 -107.059 56.026 -0.810946 -32.6328 -75.6102 11.618 0.206788 -195.123 PRESSAVG: 1050800 -40.718 -8.34648 -23.8432 -8.34646 53.646 39.5959 -23.8432 39.5959 -19.8917 GPRESSAVG: 1050800 -41.0103 -9.49324 -23.9957 -6.47807 53.4316 39.4932 -22.2141 38.5686 -20.0036 TIMING: 1050800 CPU: 3044.84, 0.0028741/step Wall: 3044.84, 0.0028741/step, 3.15289 hours remaining, 207.031250 MB of memory in use. ENERGY: 1050800 749.3240 2007.6985 1966.5924 116.2695 -206036.3399 17621.1974 0.0000 0.0000 34332.7497 -149242.5084 299.8364 -183575.2581 -149149.1647 299.0006 -146.3686 -116.9167 557082.8814 -2.3212 -2.5274 PRESSURE: 1051000 -276.866 79.3401 -8.56806 79.3384 -88.2354 7.7145 -8.56744 7.71547 -27.3252 GPRESSURE: 1051000 -204.21 7.79955 48.2354 83.5327 -101.392 -9.87796 67.0202 49.1381 14.3578 PRESSAVG: 1051000 48.7737 27.9932 -18.2503 27.9932 39.9533 50.2954 -18.2503 50.2954 -25.9604 GPRESSAVG: 1051000 48.6014 28.3272 -18.2775 27.3114 39.9074 50.517 -18.2664 52.048 -25.6762 TIMING: 1051000 CPU: 3045.41, 0.00287882/step Wall: 3045.41, 0.00287882/step, 3.1579 hours remaining, 207.031250 MB of memory in use. ENERGY: 1051000 808.6070 2057.3850 1972.5791 117.1526 -206218.7692 17758.7936 0.0000 0.0000 34326.0415 -149178.2103 299.7779 -183504.2518 -149082.1775 299.6050 -130.8088 -97.0815 557303.1734 20.9222 20.9442 PRESSURE: 1051200 121.652 327.027 -18.0181 327.027 -117.586 -73.4576 -18.0173 -73.4571 73.8461 GPRESSURE: 1051200 124.385 188.42 -23.8016 322.173 -17.5948 -31.2061 1.35383 -66.0126 65.294 PRESSAVG: 1051200 -10.774 26.6065 24.0772 26.6064 51.1822 18.7251 24.0773 18.7252 5.79641 GPRESSAVG: 1051200 -10.6503 25.234 25.6972 26.632 50.8748 17.9158 22.1739 17.2405 5.66734 TIMING: 1051200 CPU: 3045.99, 0.00289771/step Wall: 3045.99, 0.00289771/step, 3.17847 hours remaining, 207.031250 MB of memory in use. ENERGY: 1051200 747.9516 2108.7021 1967.8896 109.7295 -206244.3422 17826.4666 0.0000 0.0000 34360.4402 -149123.1627 300.0783 -183483.6028 -149035.5021 299.4785 25.9707 57.3613 556713.3365 15.4015 15.2973 PRESSURE: 1051400 -57.0487 89.5801 12.0661 89.5812 123.513 -68.4868 12.0654 -68.4873 -158.25 GPRESSURE: 1051400 12.6211 22.8155 33.9527 106.503 131.519 -72.0672 30.1552 -3.11051 -155.832 PRESSAVG: 1051400 16.8128 13.8762 -37.4016 13.8762 13.1515 1.79209 -37.4016 1.7921 -63.0365 GPRESSAVG: 1051400 16.5763 16.234 -38.4437 14.653 13.8675 1.20528 -34.8297 3.88917 -63.1871 TIMING: 1051400 CPU: 3046.57, 0.00289582/step Wall: 3046.57, 0.00289582/step, 3.17623 hours remaining, 207.031250 MB of memory in use. ENERGY: 1051400 763.2890 2127.0053 1947.3363 112.8428 -206266.2036 17806.2031 0.0000 0.0000 34376.5250 -149133.0021 300.2187 -183509.5271 -149030.1886 299.9947 -30.5952 -3.8975 557508.5367 -11.0241 -10.9144 PRESSURE: 1051600 93.013 71.2824 124.295 71.2826 304.072 100.691 124.295 100.69 69.3518 GPRESSURE: 1051600 120.258 120.16 110.278 -19.1457 330.4 163.621 159.907 181.545 110.481 PRESSAVG: 1051600 -21.8932 16.6734 59.3108 16.6735 69.2508 57.0925 59.3107 57.0926 -41.4861 GPRESSAVG: 1051600 -23.0675 17.5271 62.0231 15.9841 69.6833 57.0343 56.7304 57.6873 -41.154 TIMING: 1051600 CPU: 3047.15, 0.00289973/step Wall: 3047.15, 0.00289973/step, 3.18036 hours remaining, 207.031250 MB of memory in use. ENERGY: 1051600 748.5902 2064.4405 1973.8524 114.4270 -206382.0699 17961.8523 0.0000 0.0000 34272.4233 -149246.4842 299.3096 -183518.9075 -149143.9399 299.8143 155.4790 187.0465 558136.0344 1.9572 1.8206 PRESSURE: 1051800 -93.3742 35.7787 137.33 35.7787 -43.3499 31.5646 137.33 31.5647 -204.861 GPRESSURE: 1051800 -50.2825 60.9283 73.8242 4.8838 -14.3417 36.8374 154.81 14.7977 -184.16 PRESSAVG: 1051800 -22.2733 -6.28379 23.8854 -6.28381 52.6444 56.9482 23.8854 56.9482 -10.7459 GPRESSAVG: 1051800 -21.9953 -9.34901 19.9351 -6.01125 50.8686 57.6169 26.0235 53.9748 -10.2672 TIMING: 1051800 CPU: 3047.74, 0.00291711/step Wall: 3047.74, 0.00291711/step, 3.19926 hours remaining, 207.031250 MB of memory in use. ENERGY: 1051800 711.6466 2117.2756 1951.1271 116.0522 -205962.6500 17689.5270 0.0000 0.0000 34224.0539 -149152.9677 298.8872 -183377.0216 -149056.6109 299.6016 -113.8618 -82.9280 558227.5087 6.5417 6.2020 PRESSURE: 1052000 -1.28588 -43.6031 -75.1996 -43.6036 -45.3443 -5.53073 -75.1998 -5.52994 -152.65 GPRESSURE: 1052000 45.4239 -55.6305 -86.3259 -50.2546 -40.4627 -13.4019 -25.3646 -8.94826 -113.772 PRESSAVG: 1052000 -59.9241 41.8113 -5.05822 41.8112 4.19161 25.8945 -5.05823 25.8945 12.6799 GPRESSAVG: 1052000 -59.5916 42.1907 -4.33199 42.8093 6.14612 25.1104 -4.92333 25.5732 11.3852 TIMING: 1052000 CPU: 3048.31, 0.0028938/step Wall: 3048.31, 0.0028938/step, 3.17353 hours remaining, 207.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1052000 723.4291 2086.7175 1930.7670 109.8774 -206166.8613 17844.1543 0.0000 0.0000 34466.3708 -149005.5452 301.0034 -183471.9160 -148913.0611 300.1153 -66.4266 -36.2702 557638.1248 -14.3509 -14.0201 PRESSURE: 1052200 170.616 7.26742 89.0393 7.26677 2.81571 -102.74 89.0394 -102.741 -33.3708 GPRESSURE: 1052200 206.952 -26.5725 48.3187 7.64635 37.3167 -80.8095 141.442 -133.343 -15.3916 PRESSAVG: 1052200 20.847 9.77706 -1.41499 9.77711 11.704 -18.5015 -1.415 -18.5016 -18.9173 GPRESSAVG: 1052200 19.8892 10.5231 -1.2695 8.34859 11.4818 -18.2916 -2.69032 -17.0344 -17.2286 TIMING: 1052200 CPU: 3048.89, 0.00287479/step Wall: 3048.89, 0.00287479/step, 3.15253 hours remaining, 207.031250 MB of memory in use. ENERGY: 1052200 729.5997 2040.1969 1949.8485 111.0309 -205992.3154 17806.6034 0.0000 0.0000 34329.3710 -149025.6651 299.8069 -183355.0360 -148925.5690 300.2920 46.6870 76.2923 558077.4922 4.5446 4.7141 LDB: ============= START OF LOAD BALANCING ============== 3052.27 LDB: ============== END OF LOAD BALANCING =============== 3052.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3052.28 LDB: ============= START OF LOAD BALANCING ============== 3052.56 LDB: Largest compute 4820 load 0.024196 is 20.5% of average load 0.118005 LDB: Average compute 0.001709 is 1.4% of average load 0.118005 LDB: TIME 3052.57 LOAD: AVG 0.118005 MAX 0.182098 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.211 MB LDB: TIME 3052.57 LOAD: AVG 0.118005 MAX 0.182098 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.441 MB LDB: TIME 3052.57 LOAD: AVG 0.118005 MAX 0.182098 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.441 MB LDB: ============== END OF LOAD BALANCING =============== 3052.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3052.57 PRESSURE: 1052400 -133.685 6.05075 11.0505 6.05055 -40.5866 86.2837 11.0496 86.2844 -246.061 GPRESSURE: 1052400 -121.286 -6.60256 20.7983 -29.8085 31.019 137.33 -74.2086 21.1486 -218.726 PRESSAVG: 1052400 31.238 -11.73 20.6079 -11.73 -38.5578 10.1052 20.6078 10.1052 -43.2449 GPRESSAVG: 1052400 32.7864 -12.5766 20.3257 -12.6288 -39.7939 7.32317 21.7523 11.9999 -43.6024 TIMING: 1052400 CPU: 3049.48, 0.00294199/step Wall: 3049.48, 0.00294199/step, 3.22606 hours remaining, 206.117188 MB of memory in use. ENERGY: 1052400 744.1167 2093.1888 1924.9272 121.1144 -205753.0199 17714.5834 0.0000 0.0000 34201.5914 -148953.4980 298.6910 -183155.0894 -148856.9076 300.1110 -140.1108 -102.9974 558260.6858 -16.8549 -16.8699 PRESSURE: 1052600 -179.375 42.2058 2.07319 42.2063 -9.97359 42.2195 2.07196 42.2196 -357.67 GPRESSURE: 1052600 -153.848 4.92028 89.9046 72.781 17.7336 8.98441 -135.592 127.451 -326.851 PRESSAVG: 1052600 41.9689 74.9094 -1.50217 74.9095 14.3709 16.2067 -1.50214 16.2068 -58.9904 GPRESSAVG: 1052600 41.1605 78.1702 0.00183681 73.9742 15.3156 20.1735 -2.11371 13.7544 -59.4469 TIMING: 1052600 CPU: 3050.06, 0.00289884/step Wall: 3050.06, 0.00289884/step, 3.17857 hours remaining, 206.117188 MB of memory in use. ENERGY: 1052600 780.5082 2121.1708 1940.9547 109.1469 -206085.0306 17588.9844 0.0000 0.0000 34599.8023 -148944.4634 302.1687 -183544.2657 -148855.2915 299.9875 -182.3395 -154.3221 556916.0854 -0.8835 -0.9902 PRESSURE: 1052800 -175.968 -1.71682 193.695 -1.71635 58.3341 185.301 193.694 185.302 16.5788 GPRESSURE: 1052800 -141.878 -20.8852 165.382 -36.7386 162.982 165.95 204.843 109.603 -19.6668 PRESSAVG: 1052800 -20.5556 42.3083 32.1929 42.3083 135.365 -40.6865 32.193 -40.6865 -92.058 GPRESSAVG: 1052800 -20.8735 39.1747 31.8374 44.1896 135.417 -41.5715 31.7634 -39.7425 -91.2388 TIMING: 1052800 CPU: 3050.64, 0.00290053/step Wall: 3050.64, 0.00290053/step, 3.18027 hours remaining, 206.117188 MB of memory in use. ENERGY: 1052800 778.3248 2021.0524 1942.4696 99.4920 -206324.6198 17983.4028 0.0000 0.0000 34410.6720 -149089.2062 300.5170 -183499.8782 -148986.7559 300.3312 -33.6851 0.4790 556714.8742 7.5836 7.7683 PRESSURE: 1053000 -86.1185 -6.72044 -193.837 -6.72011 -142.06 1.23606 -193.837 1.23701 -319.618 GPRESSURE: 1053000 -47.8776 7.81285 -162.186 -65.9892 -66.3579 41.8959 -148.33 23.306 -342.155 PRESSAVG: 1053000 -18.5657 -9.92718 -16.6409 -9.92722 -0.347681 27.8305 -16.6408 27.8303 7.26358 GPRESSAVG: 1053000 -18.0307 -8.56385 -15.1918 -10.7049 1.12584 27.7771 -15.0856 26.786 5.6835 TIMING: 1053000 CPU: 3051.22, 0.00290322/step Wall: 3051.22, 0.00290322/step, 3.18305 hours remaining, 206.117188 MB of memory in use. ENERGY: 1053000 765.6091 2082.1853 1937.1960 110.5588 -205624.8255 17498.4193 0.0000 0.0000 34104.8756 -149125.9814 297.8464 -183230.8570 -149025.1493 299.4993 -182.5987 -152.1302 556779.0673 -3.8833 -3.7405 PRESSURE: 1053200 -167.801 73.263 -12.8242 73.2628 -158.543 140.6 -12.8244 140.599 -26.2475 GPRESSURE: 1053200 -139.637 122.318 1.58619 34.3789 -117.731 156.46 -22.8136 74.8726 18.6157 PRESSAVG: 1053200 -44.8992 -6.12781 -44.3543 -6.12779 57.5678 28.7475 -44.3543 28.7475 -1.18739 GPRESSAVG: 1053200 -45.3106 -4.39956 -43.4955 -5.58505 56.5801 30.2376 -47.8908 29.2019 0.432212 TIMING: 1053200 CPU: 3051.8, 0.00290842/step Wall: 3051.8, 0.00290842/step, 3.1886 hours remaining, 206.117188 MB of memory in use. ENERGY: 1053200 745.2268 2025.9652 1969.8430 109.2437 -206023.1590 17613.5126 0.0000 0.0000 34361.1550 -149198.2128 300.0845 -183559.3678 -149095.3017 299.3884 -117.5307 -79.5840 557013.8713 3.8271 3.9006 PRESSURE: 1053400 -148.638 79.2978 -151.819 79.2986 -59.2343 82.627 -151.819 82.6273 -160.725 GPRESSURE: 1053400 -109.761 41.4323 -118.205 50.0601 -27.6541 29.0151 -170.03 78.4984 -141.482 PRESSAVG: 1053400 -31.7698 -24.0507 34.3685 -24.0506 91.7162 34.6283 34.3685 34.6284 -34.6775 GPRESSAVG: 1053400 -30.8934 -26.344 32.2425 -21.8708 92.2792 34.336 37.5182 34.5751 -35.7188 TIMING: 1053400 CPU: 3052.38, 0.00289984/step Wall: 3052.38, 0.00289984/step, 3.17903 hours remaining, 206.117188 MB of memory in use. ENERGY: 1053400 788.5899 2069.9949 1943.5807 114.2699 -205639.7464 17599.4329 0.0000 0.0000 33966.4733 -149157.4048 296.6377 -183123.8781 -149063.9901 299.2656 -122.8660 -92.9659 558084.7681 8.4230 8.5557 PRESSURE: 1053600 -162.066 87.7946 -18.3127 87.7947 -236.687 56.281 -18.3124 56.2806 -332.205 GPRESSURE: 1053600 -120.213 139.486 107.954 42.1166 -245.877 35.5017 -85.3925 55.9992 -272.867 PRESSAVG: 1053600 40.9992 11.5161 -11.5821 11.5161 -77.9903 5.8138 -11.5821 5.81385 18.4966 GPRESSAVG: 1053600 40.491 13.5825 -10.5011 9.84973 -77.7268 6.24587 -12.6812 4.14695 18.8098 TIMING: 1053600 CPU: 3052.96, 0.00288694/step Wall: 3052.96, 0.00288694/step, 3.16473 hours remaining, 206.117188 MB of memory in use. ENERGY: 1053600 730.3344 2036.1352 1951.3186 101.8906 -205488.8940 17301.4082 0.0000 0.0000 34118.4687 -149249.3382 297.9651 -183367.8069 -149157.3792 298.6292 -243.6528 -212.9858 557892.7298 -6.1648 -6.1420 PRESSURE: 1053800 88.7409 83.8912 75.5763 83.8909 -54.7216 118.025 75.5767 118.025 -50.0047 GPRESSURE: 1053800 130.971 87.5833 78.6586 73.1815 30.7699 86.8064 55.8664 134.784 -76.6228 PRESSAVG: 1053800 39.178 13.141 -9.93393 13.141 -62.2255 -18.2721 -9.93387 -18.272 -25.7692 GPRESSAVG: 1053800 39.872 11.3953 -10.3252 11.7757 -63.6649 -17.2459 -7.55405 -16.9949 -24.4764 TIMING: 1053800 CPU: 3053.53, 0.00287985/step Wall: 3053.53, 0.00287985/step, 3.1568 hours remaining, 206.117188 MB of memory in use. ENERGY: 1053800 757.5659 2058.3990 1960.8944 92.4083 -206070.2323 17783.4786 0.0000 0.0000 34337.1403 -149080.3456 299.8748 -183417.4860 -148983.8495 299.3965 -5.3285 28.3728 557514.1258 -16.2722 -16.0898 PRESSURE: 1054000 37.6044 -38.3079 21.6751 -38.307 -137.374 -90.2561 21.6749 -90.2547 71.8758 GPRESSURE: 1054000 19.1775 -3.89996 41.8534 -6.37251 -86.5754 -27.0622 42.4314 -102.778 133.769 PRESSAVG: 1054000 31.0114 30.0351 0.45333 30.035 -80.9522 -47.6824 0.453448 -47.6823 81.6086 GPRESSAVG: 1054000 30.2177 31.5806 -0.471668 30.2105 -80.7854 -47.5674 -1.13527 -48.9107 82.0018 TIMING: 1054000 CPU: 3054.11, 0.00287306/step Wall: 3054.11, 0.00287306/step, 3.14919 hours remaining, 206.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1054000 751.7785 2062.8066 1955.4237 122.3157 -205618.3252 17658.8301 0.0000 0.0000 34322.1109 -148745.0596 299.7435 -183067.1705 -148654.9496 300.0188 -9.2981 22.1238 558767.4846 10.5559 10.4780 PRESSURE: 1054200 -10.7959 -69.2393 -177.722 -69.2404 -116.408 19.9405 -177.721 19.9406 -206.127 GPRESSURE: 1054200 42.5738 -94.9772 -194.101 -133.437 -117.175 -39.2445 -215.081 76.1074 -152.637 PRESSAVG: 1054200 -9.20367 50.0241 18.7509 50.0241 -20.4446 7.36576 18.7509 7.36581 -4.09452 GPRESSAVG: 1054200 -8.8683 46.7968 20.8732 54.0444 -20.3342 4.7284 17.042 9.50937 -4.65719 TIMING: 1054200 CPU: 3054.69, 0.00288852/step Wall: 3054.69, 0.00288852/step, 3.16598 hours remaining, 206.117188 MB of memory in use. ENERGY: 1054200 756.5087 2069.5959 1963.2706 123.1931 -205588.7070 17519.0725 0.0000 0.0000 34273.8127 -148883.2534 299.3217 -183157.0661 -148796.1109 299.7467 -111.1105 -75.7459 557218.7361 -11.2476 -11.2866 PRESSURE: 1054400 -158.013 1.27351 45.5115 1.27375 -82.5394 -42.5914 45.5138 -42.5913 -50.7952 GPRESSURE: 1054400 -94.6568 21.678 -20.5531 31.8275 -46.1377 -36.9251 74.0475 -24.8812 -47.9727 PRESSAVG: 1054400 -24.7381 -25.113 58.1606 -25.1131 -29.3542 -14.5524 58.1605 -14.5525 81.6122 GPRESSAVG: 1054400 -24.7485 -23.7888 56.0819 -26.987 -29.6249 -12.6607 58.9008 -15.4208 81.2061 TIMING: 1054400 CPU: 3055.26, 0.00289432/step Wall: 3055.26, 0.00289432/step, 3.17218 hours remaining, 206.117188 MB of memory in use. ENERGY: 1054400 764.9887 2080.8289 1963.8911 97.2801 -205693.7669 17522.7301 0.0000 0.0000 34299.5028 -148964.5452 299.5461 -183264.0481 -148878.5389 300.1317 -97.1158 -62.9224 557605.8659 9.1733 8.9442 PRESSURE: 1054600 -312.245 82.2144 158.807 82.2147 -586.895 -154.299 158.808 -154.299 30.3371 GPRESSURE: 1054600 -292.24 141.062 72.906 131.007 -519.808 -78.3635 194.369 -188.18 37.0486 PRESSAVG: 1054600 -24.4256 -81.2813 32.5624 -81.2814 94.961 32.1723 32.5624 32.1722 -51.7325 GPRESSAVG: 1054600 -23.5932 -82.4302 32.653 -79.959 96.0098 30.8296 34.3669 31.2596 -52.8645 TIMING: 1054600 CPU: 3055.85, 0.00291938/step Wall: 3055.85, 0.00291938/step, 3.19948 hours remaining, 206.117188 MB of memory in use. ENERGY: 1054600 734.2959 2141.1215 1929.2960 96.0183 -205948.8669 17505.2288 0.0000 0.0000 34461.0742 -149081.8323 300.9571 -183542.9065 -148989.2261 300.0960 -289.6010 -258.3332 560041.8286 6.2676 6.5174 PRESSURE: 1054800 -242.517 -90.2979 -58.7514 -90.2978 13.6543 -80.5632 -58.7516 -80.5624 -140.4 GPRESSURE: 1054800 -239.419 -115.132 -30.3318 -79.8674 75.3113 -66.2222 -80.9655 -89.1099 -106.206 PRESSAVG: 1054800 -19.2601 12.142 -38.6045 12.142 -15.5117 -3.49322 -38.6045 -3.49326 38.4677 GPRESSAVG: 1054800 -18.6072 13.982 -36.8936 9.70226 -16.7131 -3.37664 -41.8571 -2.50843 39.1276 TIMING: 1054800 CPU: 3056.43, 0.0029228/step Wall: 3056.43, 0.0029228/step, 3.20307 hours remaining, 206.117188 MB of memory in use. ENERGY: 1054800 761.0185 2108.1589 1963.9511 115.8039 -205792.3741 17625.9699 0.0000 0.0000 34187.2525 -149030.2193 298.5658 -183217.4718 -148932.8046 299.7528 -123.0876 -90.1045 558818.6485 1.2320 1.2691 PRESSURE: 1055000 55.7554 1.22155 23.5483 1.2208 -180.479 -108.688 23.551 -108.687 -46.5585 GPRESSURE: 1055000 91.1 -11.6436 -59.5295 3.24876 -181.379 -28.6717 46.7221 -94.1209 18.6713 PRESSAVG: 1055000 -68.3503 9.95429 5.67215 9.95427 -83.0264 -86.0891 5.67214 -86.0893 98.4937 GPRESSAVG: 1055000 -69.291 10.4847 4.45781 10.3198 -82.3273 -84.2511 8.14808 -86.4417 97.9921 TIMING: 1055000 CPU: 3057.02, 0.00291529/step Wall: 3057.02, 0.00291529/step, 3.19467 hours remaining, 206.117188 MB of memory in use. ENERGY: 1055000 720.9178 2154.3148 1947.2138 109.7005 -206421.0092 17904.7067 0.0000 0.0000 34365.8034 -149218.3521 300.1251 -183584.1555 -149128.6557 299.7249 -57.0940 -23.8691 558353.6879 -17.6276 -17.8754 PRESSURE: 1055200 99.9321 -110.212 136.573 -110.213 -116.286 -10.3985 136.573 -10.4005 261.147 GPRESSURE: 1055200 137.224 -68.9456 70.9713 -32.582 -67.0741 -42.9415 101.28 -15.9986 261.586 PRESSAVG: 1055200 -3.56317 -25.4078 -10.2174 -25.4078 -16.952 2.30635 -10.2174 2.30636 16.4816 GPRESSAVG: 1055200 -4.64207 -25.9094 -11.9103 -23.8644 -17.5799 2.28763 -9.69906 2.94377 17.622 TIMING: 1055200 CPU: 3057.59, 0.00289364/step Wall: 3057.59, 0.00289364/step, 3.17079 hours remaining, 206.117188 MB of memory in use. ENERGY: 1055200 740.8363 2077.2873 1933.7095 119.8753 -206302.2207 17945.4801 0.0000 0.0000 34354.5103 -149130.5219 300.0265 -183485.0322 -149037.4037 298.9055 81.5977 110.5786 557044.9158 -1.3445 -1.5333 PRESSURE: 1055400 55.2164 -24.8136 27.135 -24.8126 -347.278 -167.837 27.1345 -167.836 1.69891 GPRESSURE: 1055400 81.0501 -38.2948 58.9017 1.50471 -255.471 -78.9405 -8.22827 -170.75 -2.37029 PRESSAVG: 1055400 -19.0957 -12.4065 -0.549454 -12.4064 32.0086 -20.9022 -0.549605 -20.9023 -15.0863 GPRESSAVG: 1055400 -18.3148 -12.4652 2.51581 -11.3041 32.838 -19.9918 -0.853762 -20.5489 -17.048 TIMING: 1055400 CPU: 3058.17, 0.00289918/step Wall: 3058.17, 0.00289918/step, 3.1767 hours remaining, 206.117188 MB of memory in use. ENERGY: 1055400 785.8515 2102.6065 1955.9122 116.9119 -205814.3929 17654.2043 0.0000 0.0000 34152.6810 -149046.2256 298.2639 -183198.9066 -148954.6389 299.6020 -96.7877 -58.9304 556707.3962 -0.7245 -0.8416 PRESSURE: 1055600 -20.3416 -77.8671 20.7049 -77.8677 -126.88 48.1161 20.7068 48.1168 59.7 GPRESSURE: 1055600 50.1352 -13.6574 0.249941 -189.9 -78.5846 57.6818 11.7604 16.0411 47.7887 PRESSAVG: 1055600 -17.2277 -10.4597 -5.31336 -10.4596 -18.7986 18.5751 -5.31338 18.5752 -5.28651 GPRESSAVG: 1055600 -17.0892 -11.4302 -8.50512 -10.7954 -20.1472 16.175 -7.17083 16.8904 -4.14758 TIMING: 1055600 CPU: 3058.75, 0.00288017/step Wall: 3058.75, 0.00288017/step, 3.15571 hours remaining, 206.117188 MB of memory in use. ENERGY: 1055600 755.5872 2107.0250 1943.8187 108.3747 -205962.5346 17656.6628 0.0000 0.0000 34163.5578 -149227.5084 298.3588 -183391.0662 -149132.4551 299.5013 -29.1740 6.4464 556095.8315 -13.7709 -13.7947 PRESSURE: 1055800 -103.917 22.2096 -48.4352 22.2089 -12.6304 205.672 -48.4364 205.671 189.572 GPRESSURE: 1055800 -69.3663 36.635 -121.801 67.5622 58.9872 142.693 14.6291 210.56 183.673 PRESSAVG: 1055800 -59.9648 -45.6247 -5.97086 -45.6247 16.7876 36.9107 -5.97082 36.9105 11.5589 GPRESSAVG: 1055800 -60.5501 -45.505 -1.9468 -47.8589 17.3719 37.4406 -6.52628 38.9545 11.2245 TIMING: 1055800 CPU: 3059.32, 0.00287394/step Wall: 3059.32, 0.00287394/step, 3.14873 hours remaining, 206.117188 MB of memory in use. ENERGY: 1055800 774.1593 2123.8650 1921.8920 128.5761 -206490.5567 17982.4331 0.0000 0.0000 34413.4489 -149146.1823 300.5412 -183559.6312 -149050.9851 299.4600 24.3414 57.7646 555782.7138 -10.5394 -10.6512 PRESSURE: 1056000 113.469 -89.4017 -1.77459 -89.4013 -35.3598 -152.3 -1.77584 -152.301 71.8534 GPRESSURE: 1056000 174.606 -156.608 -25.384 -130.84 4.5407 -117.349 35.5101 -108.731 73.7283 PRESSAVG: 1056000 15.9357 -22.9924 20.1488 -22.9924 -0.571244 -16.7484 20.1488 -16.7485 -18.635 GPRESSAVG: 1056000 15.8956 -22.7761 18.3398 -23.6646 -0.647475 -15.6941 23.3762 -16.8356 -18.4028 TIMING: 1056000 CPU: 3059.9, 0.00288368/step Wall: 3059.9, 0.00288368/step, 3.15923 hours remaining, 206.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1056000 752.7273 2094.4564 1914.3497 116.6722 -206160.1264 17844.0537 0.0000 0.0000 34258.0652 -149179.8019 299.1842 -183437.8671 -149080.4788 299.8191 49.9876 84.2918 557939.3390 -1.0902 -1.0515 PRESSURE: 1056200 204.116 62.9409 -80.873 62.9418 263 104.192 -80.8736 104.191 27.5386 GPRESSURE: 1056200 293.642 66.3781 -23.8079 99.4081 296.624 152.652 -109.028 46.0109 3.29111 PRESSAVG: 1056200 2.9904 -36.1756 17.019 -36.1756 46.7743 28.8295 17.019 28.8295 -43.5779 GPRESSAVG: 1056200 2.82081 -36.3168 15.172 -35.6329 45.9368 27.5051 17.9344 28.908 -42.2162 TIMING: 1056200 CPU: 3060.48, 0.00288346/step Wall: 3060.48, 0.00288346/step, 3.15883 hours remaining, 206.117188 MB of memory in use. ENERGY: 1056200 726.4782 2069.2550 1964.8250 106.5488 -206402.7913 18175.3255 0.0000 0.0000 34145.7889 -149214.5699 298.2037 -183360.3588 -149119.5324 298.8112 164.8851 197.8521 557729.8904 2.0623 2.1805 LDB: ============= START OF LOAD BALANCING ============== 3063.86 LDB: ============== END OF LOAD BALANCING =============== 3063.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3063.87 LDB: ============= START OF LOAD BALANCING ============== 3064.15 LDB: Largest compute 4820 load 0.026061 is 22.1% of average load 0.117966 LDB: Average compute 0.001708 is 1.4% of average load 0.117966 LDB: TIME 3064.16 LOAD: AVG 0.117966 MAX 0.184901 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.379 MB LDB: TIME 3064.16 LOAD: AVG 0.117966 MAX 0.184901 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.418 MB LDB: TIME 3064.16 LOAD: AVG 0.117966 MAX 0.184901 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.418 MB LDB: ============== END OF LOAD BALANCING =============== 3064.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3064.16 PRESSURE: 1056400 4.58208 -198.003 -75.6915 -198.001 -175.723 -0.293143 -75.6907 -0.293406 61.0846 GPRESSURE: 1056400 93.4409 -194.337 -77.6934 -161.042 -148.618 28.4485 -68.035 0.787459 54.8322 PRESSAVG: 1056400 -5.91295 -7.3558 13.3992 -7.35581 10.503 23.7739 13.3994 23.7737 -13.262 GPRESSAVG: 1056400 -4.88129 -8.02957 14.0235 -7.92014 11.0434 24.1662 10.949 22.3142 -14.3952 TIMING: 1056400 CPU: 3061.07, 0.00294257/step Wall: 3061.07, 0.00294257/step, 3.22342 hours remaining, 207.539062 MB of memory in use. ENERGY: 1056400 735.4220 2066.4560 1925.8062 116.0607 -206317.1893 17897.6686 0.0000 0.0000 34245.6578 -149330.1179 299.0758 -183575.7757 -149233.1437 298.8163 -36.6854 -0.1148 557240.6576 -2.8907 -2.7444 PRESSURE: 1056600 -417.719 44.3532 -139.358 44.3534 -52.647 -39.0892 -139.357 -39.0885 166.144 GPRESSURE: 1056600 -379.847 43.0343 -131.981 101.205 -6.90282 -90.9542 -153.996 11.285 187.281 PRESSAVG: 1056600 -31.1306 -28.6981 -57.9498 -28.698 -76.4515 16.5666 -57.9498 16.5666 111.583 GPRESSAVG: 1056600 -31.6349 -28.9011 -57.3796 -27.4103 -75.6475 15.4348 -59.0299 19.1975 110.915 TIMING: 1056600 CPU: 3061.65, 0.00290927/step Wall: 3061.65, 0.00290927/step, 3.18678 hours remaining, 207.539062 MB of memory in use. ENERGY: 1056600 763.3754 2073.0159 1929.6071 112.5309 -206072.1255 17593.5602 0.0000 0.0000 34297.0066 -149303.0294 299.5243 -183600.0360 -149215.2825 299.0161 -101.4075 -66.4895 557538.7979 1.3337 1.2107 PRESSURE: 1056800 -8.86301 -197.891 -100.153 -197.893 55.9568 107.273 -100.154 107.274 220.166 GPRESSURE: 1056800 96.1143 -160.972 -19.6268 -240.428 89.8835 103.078 -93.9837 122.252 187.716 PRESSAVG: 1056800 19.9644 -62.2258 -12.0639 -62.2257 -73.97 30.4226 -12.0639 30.4226 31.4945 GPRESSAVG: 1056800 20.1391 -60.3845 -12.1364 -63.5938 -74.3677 31.5459 -9.12908 29.1603 32.3358 TIMING: 1056800 CPU: 3062.23, 0.00292766/step Wall: 3062.23, 0.00292766/step, 3.20676 hours remaining, 207.539062 MB of memory in use. ENERGY: 1056800 714.0506 2087.2723 1946.6608 115.5769 -206479.6992 18099.5024 0.0000 0.0000 34181.3047 -149335.3316 298.5138 -183516.6363 -149240.2237 299.1844 89.0865 124.5713 559304.3582 -7.5037 -7.2976 PRESSURE: 1057000 231.754 -57.1741 159.855 -57.1734 144.228 92.7297 159.856 92.731 -45.9003 GPRESSURE: 1057000 233.967 -159.758 205.242 31.1402 211.961 105.996 111.573 71.3981 -27.0205 PRESSAVG: 1057000 8.1791 -8.41111 54.4128 -8.41118 6.41035 -17.782 54.4128 -17.7821 32.4203 GPRESSAVG: 1057000 8.5754 -10.7683 53.1457 -6.7133 7.25458 -19.1151 52.2262 -16.4507 31.4535 TIMING: 1057000 CPU: 3062.82, 0.00292416/step Wall: 3062.82, 0.00292416/step, 3.20277 hours remaining, 207.539062 MB of memory in use. ENERGY: 1057000 755.3058 2079.2315 1952.5300 102.7114 -206553.5492 18063.4579 0.0000 0.0000 34322.2148 -149278.0978 299.7444 -183600.3126 -149179.0941 299.3462 110.0272 139.6359 556758.2162 15.6699 15.7611 PRESSURE: 1057200 35.825 -46.5178 17.0915 -46.5188 187.752 -65.9664 17.0912 -65.9657 132.012 GPRESSURE: 1057200 61.8028 -22.2765 101.981 -93.4073 192.865 -134.228 -23.7083 13.6943 189.408 PRESSAVG: 1057200 35.6085 46.7948 14.6352 46.7948 -36.8522 7.3301 14.6351 7.33009 18.7827 GPRESSAVG: 1057200 34.2782 48.7484 16.9333 45.3501 -36.9484 7.02214 15.0697 6.5176 19.9414 TIMING: 1057200 CPU: 3063.4, 0.00291918/step Wall: 3063.4, 0.00291918/step, 3.19715 hours remaining, 207.539062 MB of memory in use. ENERGY: 1057200 699.3956 2153.8652 1914.0097 113.1357 -206376.8653 17920.4117 0.0000 0.0000 34265.5411 -149310.5063 299.2495 -183576.0474 -149211.6241 299.0367 118.5298 148.0250 556664.9618 5.8463 5.7570 PRESSURE: 1057400 119.946 -12.6083 -138.909 -12.6085 -92.8224 168.139 -138.907 168.14 520.319 GPRESSURE: 1057400 183.628 -32.8975 -187.653 13.0808 -29.1003 133.53 -80.226 133.477 503.069 PRESSAVG: 1057400 -65.389 3.17091 5.21428 3.17095 6.01156 49.5161 5.21437 49.516 84.1209 GPRESSAVG: 1057400 -65.548 4.07066 4.18946 3.20052 6.33247 51.7841 5.10117 47.4212 83.8759 TIMING: 1057400 CPU: 3063.99, 0.00291224/step Wall: 3063.99, 0.00291224/step, 3.18939 hours remaining, 207.539062 MB of memory in use. ENERGY: 1057400 739.9673 2063.7516 1920.2096 115.3522 -206268.9952 17816.6526 0.0000 0.0000 34287.9612 -149325.1008 299.4453 -183613.0620 -149240.4656 299.1122 182.4806 219.1990 555396.7654 8.2478 8.2201 PRESSURE: 1057600 -183.156 28.0222 -112.256 28.0227 49.4388 22.3882 -112.257 22.3891 -214.785 GPRESSURE: 1057600 -149.135 73.7436 -175.309 138.456 60.3883 14.925 -51.645 -21.8483 -164.705 PRESSAVG: 1057600 -47.7005 9.85595 38.2703 9.85599 16.6655 25.8534 38.2704 25.8535 66.4357 GPRESSAVG: 1057600 -47.3149 8.94632 36.8491 11.4822 15.6 25.9873 37.2272 24.45 66.7507 TIMING: 1057600 CPU: 3064.57, 0.00292983/step Wall: 3064.57, 0.00292983/step, 3.20849 hours remaining, 207.539062 MB of memory in use. ENERGY: 1057600 753.8842 2093.3331 1945.7230 104.2711 -206443.9372 17657.6079 0.0000 0.0000 34581.3757 -149307.7422 302.0078 -183889.1179 -149207.2457 299.3277 -116.1675 -84.4837 556530.5903 11.8003 11.6786 PRESSURE: 1057800 -175.29 118.276 10.0535 118.277 -51.2349 -78.4786 10.0541 -78.4789 -130.025 GPRESSURE: 1057800 -157.596 39.3915 2.64797 129.991 -19.6757 -29.8734 46.5834 -60.9884 -80.1158 PRESSAVG: 1057800 -3.94894 63.022 -40.631 63.022 17.0285 -4.99774 -40.6309 -4.99782 -8.11877 GPRESSAVG: 1057800 -4.0892 63.7893 -40.173 61.9973 16.4836 -4.95472 -38.5239 -3.55796 -7.77533 TIMING: 1057800 CPU: 3065.15, 0.00291432/step Wall: 3065.15, 0.00291432/step, 3.19134 hours remaining, 207.539062 MB of memory in use. ENERGY: 1057800 731.0493 2079.1009 1942.2750 113.5049 -205980.1039 17501.0440 0.0000 0.0000 34202.6715 -149410.4584 298.7004 -183613.1299 -149312.2350 299.1016 -118.8501 -85.7957 556142.4844 1.6536 1.5397 PRESSURE: 1058000 -183.391 97.6728 96.182 97.6737 48.8182 -130.039 96.1815 -130.04 -271.946 GPRESSURE: 1058000 -186.583 113.204 99.7715 -12.9543 66.5365 -95.3525 12.7045 -129.54 -193.913 PRESSAVG: 1058000 -23.7714 54.2599 -43.3947 54.2598 23.4076 -8.92072 -43.3947 -8.92075 23.8617 GPRESSAVG: 1058000 -24.2772 52.4205 -41.3865 56.2862 23.7567 -12.1084 -45.1667 -6.79515 23.3296 TIMING: 1058000 CPU: 3065.73, 0.00288897/step Wall: 3065.73, 0.00288897/step, 3.16342 hours remaining, 207.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1058000 771.1531 2054.3316 1939.5165 120.1649 -206776.6766 18012.2995 0.0000 0.0000 34292.6550 -149586.5559 299.4863 -183879.2110 -149497.1272 298.7581 -135.5063 -104.6531 557592.5795 7.8326 7.6030 PRESSURE: 1058200 -288.717 111.712 -66.3737 111.712 -235.67 -133.868 -66.3737 -133.867 -266.238 GPRESSURE: 1058200 -255.352 153.407 -52.235 129.03 -200.875 -85.5992 -95.9104 -206.15 -233.58 PRESSAVG: 1058200 54.9831 -10.9655 21.3946 -10.9654 -78.318 -63.1264 21.3946 -63.1264 -22.6537 GPRESSAVG: 1058200 54.5703 -8.58791 21.6679 -12.7119 -78.138 -61.0754 21.3533 -66.2444 -22.2502 TIMING: 1058200 CPU: 3066.31, 0.0028974/step Wall: 3066.31, 0.0028974/step, 3.1725 hours remaining, 207.609375 MB of memory in use. ENERGY: 1058200 745.4570 2103.4602 1930.6674 105.0935 -206402.9052 17492.9469 0.0000 0.0000 34465.9623 -149559.3179 300.9998 -184025.2801 -149458.6851 298.1017 -263.5419 -229.9356 555437.3136 -15.3295 -15.2727 PRESSURE: 1058400 139.474 -21.5874 28.8078 -21.5881 -41.3546 44.4895 28.8088 44.4904 -314.445 GPRESSURE: 1058400 173.808 -61.3838 -77.2523 -18.2022 1.18064 2.56568 74.0392 17.8803 -289.881 PRESSAVG: 1058400 -15.3268 37.3278 15.4934 37.3279 77.3426 13.9101 15.4934 13.9101 -64.662 GPRESSAVG: 1058400 -15.5638 35.3269 13.2701 37.5864 78.384 14.0577 15.0968 13.8992 -65.8497 TIMING: 1058400 CPU: 3066.89, 0.00288889/step Wall: 3066.89, 0.00288889/step, 3.16301 hours remaining, 207.609375 MB of memory in use. ENERGY: 1058400 767.4470 2081.4445 1932.5513 111.5136 -206454.3155 17701.6977 0.0000 0.0000 34207.9021 -149651.7594 298.7461 -183859.6614 -149558.9153 297.8100 -72.1085 -38.2975 556133.5843 -0.8821 -1.0098 PRESSURE: 1058600 -138.286 145.233 -87.5385 145.233 -335.655 51.8774 -87.5395 51.8763 -232.004 GPRESSURE: 1058600 -96.3469 147.608 -18.1627 109.713 -354.436 19.7771 -45.2229 52.3304 -158.589 PRESSAVG: 1058600 -18.1541 -1.06507 -36.0478 -1.06506 62.4132 13.2771 -36.0477 13.2773 -50.4661 GPRESSAVG: 1058600 -18.5209 -0.425898 -35.9881 -1.19636 61.2855 11.9746 -34.5485 15.2122 -49.6842 TIMING: 1058600 CPU: 3067.47, 0.00289602/step Wall: 3067.47, 0.00289602/step, 3.17066 hours remaining, 207.609375 MB of memory in use. ENERGY: 1058600 785.7511 2071.1703 1941.6929 113.2440 -206322.6266 17595.2613 0.0000 0.0000 34135.9593 -149679.5478 298.1178 -183815.5071 -149583.3433 298.4032 -235.3152 -203.1241 557992.1046 -2.0690 -2.3065 PRESSURE: 1058800 -50.5911 12.3684 -14.2738 12.3684 -157.674 130.957 -14.2733 130.957 -53.9806 GPRESSURE: 1058800 -31.6182 -11.6023 -40.546 -5.22666 -71.0779 90.5923 5.0429 124.751 -59.6156 PRESSAVG: 1058800 42.2895 7.19494 36.4278 7.19501 -49.8467 -23.6696 36.4279 -23.6697 25.2403 GPRESSAVG: 1058800 44.1129 7.46694 35.3096 5.70474 -50.2093 -24.0326 35.8701 -25.6481 24.0392 TIMING: 1058800 CPU: 3068.05, 0.00292369/step Wall: 3068.05, 0.00292369/step, 3.20079 hours remaining, 207.609375 MB of memory in use. ENERGY: 1058800 771.8770 2071.0927 1910.9971 130.2966 -206228.6872 17782.3341 0.0000 0.0000 33980.1230 -149581.9668 296.7569 -183562.0898 -149479.8872 298.2963 -87.4151 -54.1039 556683.2596 5.8944 5.9809 PRESSURE: 1059000 51.2706 28.3732 65.4808 28.3743 62.9991 -23.2529 65.4803 -23.2527 77.5551 GPRESSURE: 1059000 35.0164 72.4262 106.617 29.2766 102.973 -18.3504 73.1104 -27.0545 145.144 PRESSAVG: 1059000 -29.7571 18.5602 24.5748 18.5602 16.0968 48.8657 24.5748 48.8658 8.15705 GPRESSAVG: 1059000 -31.1193 18.8825 24.6141 19.7793 17.1912 49.3584 25.3871 51.4602 8.87283 TIMING: 1059000 CPU: 3068.63, 0.00288408/step Wall: 3068.63, 0.00288408/step, 3.15727 hours remaining, 207.609375 MB of memory in use. ENERGY: 1059000 777.7524 2018.6941 1928.5144 105.2338 -206888.0325 18074.1184 0.0000 0.0000 34376.0024 -149607.7170 300.2142 -183983.7194 -149513.9366 298.5884 63.9416 94.3779 555481.0824 -1.8344 -1.6851 PRESSURE: 1059200 -265.008 77.7671 -42.2361 77.7678 -159.819 -139.594 -42.2371 -139.596 -140.31 GPRESSURE: 1059200 -220.068 78.6052 -78.8819 68.3101 -107.188 -164.546 -43.8269 -108.272 -134.954 PRESSAVG: 1059200 15.8342 -25.4081 1.88117 -25.408 -24.264 -35.3437 1.88123 -35.3437 2.09869 GPRESSAVG: 1059200 17.1788 -26.1016 3.28292 -26.0153 -24.7904 -34.6022 1.84884 -37.1302 1.1329 TIMING: 1059200 CPU: 3069.22, 0.00292644/step Wall: 3069.22, 0.00292644/step, 3.20347 hours remaining, 207.609375 MB of memory in use. ENERGY: 1059200 736.2102 2095.4775 1927.0666 111.0687 -205949.4292 17470.5662 0.0000 0.0000 34078.8452 -149530.1948 297.6190 -183609.0400 -149431.8063 298.0925 -188.3793 -154.0700 556937.5741 -2.1103 -2.1596 PRESSURE: 1059400 -109.106 63.9971 -14.522 63.9968 -57.6452 -15.3065 -14.5227 -15.3048 207.218 GPRESSURE: 1059400 -70.1521 -4.66526 37.0131 77.8257 -20.2738 12.0631 -36.1184 -27.1278 229.873 PRESSAVG: 1059400 29.4322 -31.4202 15.4448 -31.4202 22.1289 49.5298 15.4448 49.5299 -25.8984 GPRESSAVG: 1059400 29.0755 -33.9132 13.7878 -29.6892 21.2401 48.8575 14.042 49.8058 -25.0179 TIMING: 1059400 CPU: 3069.8, 0.00292847/step Wall: 3069.8, 0.00292847/step, 3.20554 hours remaining, 207.609375 MB of memory in use. ENERGY: 1059400 729.9626 2058.9515 1948.2506 116.8537 -206249.1219 17843.1064 0.0000 0.0000 34011.8979 -149540.0992 297.0344 -183551.9971 -149439.6791 298.0918 13.4890 46.4825 557154.9481 8.5542 8.4326 PRESSURE: 1059600 -195.24 7.7151 7.97751 7.71372 514.475 -33.0919 7.97793 -33.0912 97.0612 GPRESSURE: 1059600 -146.883 14.7086 108.228 3.2453 529.691 -49.1847 -32.7937 -3.05656 131.26 PRESSAVG: 1059600 -45.0638 11.7316 -39.2608 11.7316 26.5434 27.4215 -39.2608 27.4215 -6.35934 GPRESSAVG: 1059600 -45.6855 13.1874 -37.7471 11.5512 27.5352 26.6278 -39.0766 27.042 -6.28378 TIMING: 1059600 CPU: 3070.38, 0.00290764/step Wall: 3070.38, 0.00290764/step, 3.18257 hours remaining, 207.644531 MB of memory in use. ENERGY: 1059600 741.0744 2119.1312 1917.2678 113.7548 -206563.7479 17884.8642 0.0000 0.0000 34170.3131 -149617.3424 298.4178 -183787.6555 -149519.3040 298.3975 138.7656 171.3559 555436.5248 -8.2933 -8.1447 PRESSURE: 1059800 113.31 -143.016 29.5644 -143.016 -24.337 -58.0489 29.5643 -58.0493 16.8559 GPRESSURE: 1059800 155.215 -126.493 23.6119 -91.3297 -30.4281 -27.9763 68.941 -128.51 79.3526 PRESSAVG: 1059800 11.9649 -13.7127 15.7979 -13.7126 34.1011 -33.5937 15.7979 -33.5937 -42.7626 GPRESSAVG: 1059800 12.4783 -13.465 13.8763 -13.0362 33.6093 -33.5373 16.823 -33.7773 -42.9315 TIMING: 1059800 CPU: 3070.96, 0.00290795/step Wall: 3070.96, 0.00290795/step, 3.18275 hours remaining, 207.644531 MB of memory in use. ENERGY: 1059800 735.8380 2132.4842 1951.8935 115.3236 -206580.9222 17871.0528 0.0000 0.0000 34173.0169 -149601.3132 298.4415 -183774.3300 -149505.0508 298.6169 35.2764 68.0464 557536.7332 1.1012 1.0520 PRESSURE: 1060000 -65.4981 40.567 205.28 40.5677 -310.807 -94.4709 205.28 -94.4726 -26.5705 GPRESSURE: 1060000 -79.3724 74.9822 244.669 40.1004 -250.832 -94.7846 141.529 -52.2084 34.3893 PRESSAVG: 1060000 -4.67801 11.223 67.9056 11.2231 22.1617 -38.3289 67.9057 -38.3288 20.8901 GPRESSAVG: 1060000 -6.56002 12.2037 68.4266 10.0108 23.5414 -38.2802 66.8187 -35.6797 21.536 TIMING: 1060000 CPU: 3071.54, 0.00287784/step Wall: 3071.54, 0.00287784/step, 3.14964 hours remaining, 207.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1060000 751.8014 2104.1406 1935.0943 114.4628 -206022.8362 17687.3263 0.0000 0.0000 34059.9122 -149370.0986 297.4537 -183430.0108 -149276.5624 298.3966 -134.2917 -98.6050 559038.9616 12.7913 12.8391 PRESSURE: 1060200 257.629 -69.0974 80.9235 -69.0964 -18.329 -135.429 80.9239 -135.429 195.902 GPRESSURE: 1060200 239.272 6.71817 57.3458 -83.5691 83.5281 -155.122 148.302 -142.123 199.6 PRESSAVG: 1060200 -5.52082 -26.4729 63.6787 -26.4729 -28.0028 -94.4349 63.6786 -94.435 44.2724 GPRESSAVG: 1060200 -3.97893 -26.8952 63.5461 -24.0806 -29.2546 -94.6495 64.1971 -95.4451 43.871 TIMING: 1060200 CPU: 3072.12, 0.0029043/step Wall: 3072.12, 0.0029043/step, 3.17843 hours remaining, 207.644531 MB of memory in use. ENERGY: 1060200 769.0820 2122.2144 1941.3846 110.7970 -206720.8868 18222.1433 0.0000 0.0000 34246.2722 -149308.9932 299.0812 -183555.2654 -149208.7360 298.2662 145.0673 174.1334 556207.4857 3.5829 3.5458 LDB: ============= START OF LOAD BALANCING ============== 3075.51 LDB: ============== END OF LOAD BALANCING =============== 3075.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3075.51 LDB: ============= START OF LOAD BALANCING ============== 3075.8 LDB: Largest compute 4820 load 0.027418 is 23.2% of average load 0.118024 LDB: Average compute 0.001704 is 1.4% of average load 0.118024 LDB: TIME 3075.8 LOAD: AVG 0.118024 MAX 0.185091 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 3075.8 LOAD: AVG 0.118024 MAX 0.185091 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: TIME 3075.8 LOAD: AVG 0.118024 MAX 0.185091 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3075.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3075.8 PRESSURE: 1060400 -59.1723 -5.61139 79.7284 -5.61224 125.46 -142 79.7287 -142 -103.471 GPRESSURE: 1060400 -68.6909 -31.8681 86.1088 68.5787 148.168 -78.044 -1.10711 -168.983 -16.5416 PRESSAVG: 1060400 -2.46911 7.53066 43.4135 7.5307 51.0534 -71.7489 43.4135 -71.7488 3.47846 GPRESSAVG: 1060400 -2.64573 7.81555 43.8323 7.13374 50.2732 -69.5903 43.1555 -71.8751 4.80795 TIMING: 1060400 CPU: 3072.71, 0.0029452/step Wall: 3072.71, 0.0029452/step, 3.22303 hours remaining, 206.707031 MB of memory in use. ENERGY: 1060400 766.0941 2104.6816 1946.4760 115.1192 -206033.8139 17796.6167 0.0000 0.0000 34198.9780 -149105.8483 298.6682 -183304.8263 -149002.4559 299.0659 -12.3946 20.9785 558991.5796 17.3543 17.4785 PRESSURE: 1060600 -158.83 -96.0694 -43.9067 -96.0699 -256.151 82.9471 -43.9077 82.9485 -209.214 GPRESSURE: 1060600 -99.014 -51.0405 -66.4622 -72.4247 -213.966 44.4933 28.5989 23.8705 -216.1 PRESSAVG: 1060600 27.8628 -0.88612 54.6686 -0.886147 -5.8041 -14.6921 54.6686 -14.6921 -18.0472 GPRESSAVG: 1060600 28.5679 -1.28389 53.0098 -2.03454 -4.43086 -15.9793 53.7402 -14.0674 -20.1151 TIMING: 1060600 CPU: 3073.29, 0.00289366/step Wall: 3073.29, 0.00289366/step, 3.16647 hours remaining, 206.773438 MB of memory in use. ENERGY: 1060600 705.0395 2178.4293 1931.5710 115.7943 -206234.2865 17570.5509 0.0000 0.0000 34495.8861 -149237.0155 301.2612 -183732.9016 -149138.9227 299.2380 -208.0648 -176.3600 557865.7396 1.3372 1.3406 PRESSURE: 1060800 -39.5786 86.509 48.044 86.5099 36.1699 -95.5322 48.0435 -95.5313 -169.58 GPRESSURE: 1060800 4.77713 58.6576 149.989 43.3316 15.6274 -90.9352 -8.92149 -105.299 -105.889 PRESSAVG: 1060800 34.7219 14.8652 27.5092 14.8653 -54.8162 -31.1956 27.5092 -31.1957 -46.1206 GPRESSAVG: 1060800 34.1511 15.2898 30.0724 16.5673 -55.9694 -31.5606 29.444 -29.8172 -44.6365 TIMING: 1060800 CPU: 3073.87, 0.00290897/step Wall: 3073.87, 0.00290897/step, 3.18306 hours remaining, 206.773438 MB of memory in use. ENERGY: 1060800 745.0789 2096.2855 1935.7357 118.9035 -206222.5393 17741.5326 0.0000 0.0000 34341.4940 -149243.5091 299.9128 -183585.0032 -149143.6608 299.6423 -57.6631 -28.4947 557692.9642 -22.0716 -22.1516 PRESSURE: 1061000 -301.23 113.977 -13.7212 113.977 50.8726 45.8331 -13.7193 45.8341 -19.6194 GPRESSURE: 1061000 -257.902 144.168 81.7197 62.0987 55.0725 78.9374 -58.6301 34.2768 36.835 PRESSAVG: 1061000 24.8372 41.4617 52.1314 41.4619 35.9041 -15.6899 52.1315 -15.6898 -51.3533 GPRESSAVG: 1061000 25.8108 40.2433 52.8906 41.2801 36.6244 -16.8332 48.6305 -18.2724 -52.8121 TIMING: 1061000 CPU: 3074.45, 0.00291386/step Wall: 3074.45, 0.00291386/step, 3.18825 hours remaining, 206.773438 MB of memory in use. ENERGY: 1061000 725.1474 2117.1605 1927.0084 116.1991 -206129.4585 17672.1338 0.0000 0.0000 34276.9547 -149294.8545 299.3492 -183571.8092 -149198.0501 300.2414 -89.9922 -55.3315 557079.0831 3.1294 3.2077 PRESSURE: 1061200 -30.5979 105.508 54.9692 105.508 -22.0101 133.43 54.9698 133.431 102.767 GPRESSURE: 1061200 30.7621 92.3713 76.4541 149.75 -1.89383 87.2708 -16.3564 209.821 128.409 PRESSAVG: 1061200 -6.51479 13.5028 6.7467 13.5026 -7.87667 3.47839 6.74673 3.47833 24.814 GPRESSAVG: 1061200 -5.68768 13.2743 5.7982 14.3082 -8.20141 4.53704 9.33197 3.3547 24.8739 TIMING: 1061200 CPU: 3075.04, 0.00291991/step Wall: 3075.04, 0.00291991/step, 3.19471 hours remaining, 206.773438 MB of memory in use. ENERGY: 1061200 742.2348 2106.3511 1937.4150 115.2758 -206276.8917 17825.8191 0.0000 0.0000 34178.2178 -149371.5782 298.4869 -183549.7959 -149275.4758 299.2449 16.7198 52.4256 556835.5307 3.4742 3.6616 PRESSURE: 1061400 213.541 -18.645 -76.1462 -18.6449 33.1469 82.7013 -76.1463 82.7013 -44.0644 GPRESSURE: 1061400 229.565 -5.84644 -80.879 60.3121 88.8337 6.19056 -21.0619 81.031 -35.9182 PRESSAVG: 1061400 26.7492 6.31314 55.4712 6.31305 -10.2554 23.7603 55.4712 23.7603 -15.817 GPRESSAVG: 1061400 25.2235 7.86167 53.8282 4.41499 -9.93532 24.0458 55.3491 23.2816 -14.8891 TIMING: 1061400 CPU: 3075.61, 0.00288774/step Wall: 3075.61, 0.00288774/step, 3.15934 hours remaining, 206.773438 MB of memory in use. ENERGY: 1061400 779.0250 2065.4226 1926.1055 126.7333 -206533.1155 17987.8803 0.0000 0.0000 34047.4104 -149600.5385 297.3445 -183647.9489 -149507.7393 298.4488 67.5411 94.1603 557330.2429 0.2256 0.1330 PRESSURE: 1061600 94.1763 -219.483 -55.8043 -219.484 64.7613 43.5537 -55.8038 43.5543 130.415 GPRESSURE: 1061600 133.699 -258.466 -24.7367 -237.284 82.3228 34.9878 -63.2609 155.005 180.213 PRESSAVG: 1061600 19.1382 -0.730146 9.9682 -0.730102 7.45845 34.401 9.96827 34.401 7.14083 GPRESSAVG: 1061600 17.867 -2.43646 11.4642 -1.17389 8.7063 34.3127 8.16985 36.3666 7.1395 TIMING: 1061600 CPU: 3076.2, 0.00291901/step Wall: 3076.2, 0.00291901/step, 3.1934 hours remaining, 206.773438 MB of memory in use. ENERGY: 1061600 731.8511 2054.0756 1930.1829 111.2937 -206603.5015 18048.1240 0.0000 0.0000 34153.3388 -149574.6354 298.2696 -183727.9742 -149475.4109 298.1061 96.4510 132.0784 556858.6650 11.2458 11.2376 PRESSURE: 1061800 -131.935 -90.511 -25.0828 -90.5121 -56.7537 18.4521 -25.0827 18.454 102.274 GPRESSURE: 1061800 -68.1359 -127.443 -38.1243 -53.6267 -47.6896 -7.29362 -33.2046 60.5335 124.115 PRESSAVG: 1061800 -32.8279 -3.45169 -12.5425 -3.4517 19.3054 6.8992 -12.5426 6.89921 65.1925 GPRESSAVG: 1061800 -32.5584 -1.75724 -12.6352 -3.14734 19.207 5.67408 -11.6204 5.92584 64.6921 TIMING: 1061800 CPU: 3076.78, 0.00292422/step Wall: 3076.78, 0.00292422/step, 3.19894 hours remaining, 206.773438 MB of memory in use. ENERGY: 1061800 781.6915 2154.1830 1928.3006 111.5078 -206511.4743 17891.9257 0.0000 0.0000 34253.3447 -149390.5209 299.1430 -183643.8656 -149288.2499 298.8620 -28.8050 2.7630 558000.5726 17.2233 17.1136 PRESSURE: 1062000 -87.6651 -25.3842 -87.7946 -25.3838 -130.406 51.4939 -87.7932 51.4951 -339.974 GPRESSURE: 1062000 -99.5298 -26.8782 -117.342 -61.5878 -101.858 78.873 -87.8382 -23.9808 -254.442 PRESSAVG: 1062000 -12.1984 -4.38193 24.3724 -4.38188 -30.1763 17.7226 24.3726 17.7225 50.4812 GPRESSAVG: 1062000 -11.6443 -4.76546 23.9151 -5.71808 -30.5704 19.5743 25.7902 17.8552 50.2665 TIMING: 1062000 CPU: 3077.37, 0.00292344/step Wall: 3077.37, 0.00292344/step, 3.19792 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1062000 793.2723 2052.5272 1957.1000 127.4303 -206166.6738 17711.3209 0.0000 0.0000 34216.8433 -149308.1799 298.8242 -183525.0232 -149202.1777 299.6586 -186.0149 -151.9431 558826.2344 2.7022 2.6839 PRESSURE: 1062200 -77.1174 16.8806 -173.947 16.8816 -173.446 5.96573 -173.945 5.96631 -157.232 GPRESSURE: 1062200 -83.435 9.74732 -181.392 54.3038 -70.6911 -16.6638 -138.612 -75.5044 -152.397 PRESSAVG: 1062200 -6.38132 -6.79812 -6.32994 -6.79812 -30.5939 -12.277 -6.32997 -12.2769 10.9387 GPRESSAVG: 1062200 -5.45244 -4.83686 -7.17274 -5.9277 -31.7941 -12.4946 -6.83213 -11.3564 11.254 TIMING: 1062200 CPU: 3077.95, 0.00291925/step Wall: 3077.95, 0.00291925/step, 3.19317 hours remaining, 206.976562 MB of memory in use. ENERGY: 1062200 739.2660 2100.0933 1921.9380 113.5030 -206319.9972 17767.5923 0.0000 0.0000 34128.2084 -149549.3963 298.0501 -183677.6047 -149458.1939 298.2254 -135.9317 -102.1745 557959.0068 -8.6788 -8.6642 PRESSURE: 1062400 72.8888 -14.1571 224.617 -14.1566 5.09766 29.7098 224.618 29.7104 -27.3849 GPRESSURE: 1062400 96.125 46.3174 164.523 -104.106 30.3731 -0.91186 283.539 48.4348 19.186 PRESSAVG: 1062400 -49.5001 5.03146 -20.1911 5.03148 7.32217 14.6214 -20.1912 14.6213 1.35184 GPRESSAVG: 1062400 -49.8858 3.89184 -19.3925 5.02941 7.907 13.8808 -21.7468 14.7292 0.788876 TIMING: 1062400 CPU: 3078.54, 0.00292654/step Wall: 3078.54, 0.00292654/step, 3.20099 hours remaining, 206.976562 MB of memory in use. ENERGY: 1062400 745.5142 2104.2672 1942.7240 118.4603 -206075.7841 17681.0207 0.0000 0.0000 33924.6810 -149559.1168 296.2727 -183483.7978 -149466.3970 297.2881 16.8672 48.5613 557108.0254 -13.6087 -13.7300 PRESSURE: 1062600 79.2575 108.905 -76.6895 108.904 -303.551 131.068 -76.6907 131.067 -23.994 GPRESSURE: 1062600 111.85 212.772 -18.1555 33.5561 -232.038 127.343 -110.836 146.567 -32.7806 PRESSAVG: 1062600 65.2595 25.2832 19.5961 25.2833 -22.0028 2.01574 19.5961 2.0157 -36.618 GPRESSAVG: 1062600 64.3747 24.9558 20.4734 25.4091 -21.1066 2.33182 20.4005 0.305116 -36.7926 TIMING: 1062600 CPU: 3079.12, 0.00289078/step Wall: 3079.12, 0.00289078/step, 3.16171 hours remaining, 206.976562 MB of memory in use. ENERGY: 1062600 754.6841 2079.5754 1953.7663 117.7110 -206147.6572 17657.8508 0.0000 0.0000 34183.2852 -149400.7843 298.5311 -183584.0696 -149304.0574 298.5148 -82.7625 -50.9898 557095.1753 2.2129 2.1585 PRESSURE: 1062800 167.983 -190.246 -135.586 -190.247 -7.32671 -218.074 -135.587 -218.073 288.866 GPRESSURE: 1062800 207.685 -216.441 -211.291 -208.634 28.9569 -172.561 -73.7109 -168.108 308.052 PRESSAVG: 1062800 31.1956 -12.3784 15.3457 -12.3783 -39.0717 17.6931 15.3456 17.693 37.4802 GPRESSAVG: 1062800 30.9198 -13.1072 13.4771 -13.326 -39.4198 19.8592 16.1018 18.0093 37.8878 TIMING: 1062800 CPU: 3079.7, 0.00290112/step Wall: 3079.7, 0.00290112/step, 3.17286 hours remaining, 206.976562 MB of memory in use. ENERGY: 1062800 736.4837 2113.9817 1912.8853 100.5562 -206522.1641 18124.0086 0.0000 0.0000 34148.9856 -149385.2630 298.2316 -183534.2486 -149290.8092 298.4810 149.8409 181.5647 557214.1887 9.8680 9.7959 PRESSURE: 1063000 135.766 -2.06942 -147.652 -2.06921 8.98881 -51.7988 -147.652 -51.7997 -10.4609 GPRESSURE: 1063000 236.586 -9.33443 -94.7088 58.4748 -2.24883 63.7175 -34.4283 -104.597 -8.89792 PRESSAVG: 1063000 -0.432494 26.226 -33.7763 26.2259 -12.3922 -16.9868 -33.7763 -16.9869 28.6546 GPRESSAVG: 1063000 -0.167087 25.686 -33.2408 28.3049 -12.592 -20.1259 -33.6421 -13.9207 28.5278 TIMING: 1063000 CPU: 3080.28, 0.00291653/step Wall: 3080.28, 0.00291653/step, 3.18955 hours remaining, 206.976562 MB of memory in use. ENERGY: 1063000 763.9915 2110.9659 1951.9034 113.4922 -206508.1133 17871.8256 0.0000 0.0000 34216.1524 -149479.7823 298.8182 -183695.9347 -149385.5958 298.3185 44.7646 75.1463 555552.1366 5.2766 5.2562 PRESSURE: 1063200 -23.6567 -24.7016 14.2144 -24.702 127.456 -83.2135 14.2142 -83.2141 -376.193 GPRESSURE: 1063200 -42.3417 6.78701 35.1424 48.2957 111.896 0.477234 -21.9903 -48.981 -254.406 PRESSAVG: 1063200 34.1509 82.4795 28.5158 82.4795 57.7994 5.19089 28.5157 5.19087 -69.268 GPRESSAVG: 1063200 34.5696 84.4907 28.1499 82.7488 57.246 5.24532 28.3806 4.055 -68.9502 TIMING: 1063200 CPU: 3080.86, 0.0028867/step Wall: 3080.86, 0.0028867/step, 3.15677 hours remaining, 206.976562 MB of memory in use. ENERGY: 1063200 760.7934 2037.5732 1938.0908 108.0398 -206116.4132 17849.4358 0.0000 0.0000 34080.0036 -149342.4766 297.6291 -183422.4801 -149245.8084 298.6915 -90.7981 -61.6172 558249.7770 7.5607 7.6218 PRESSURE: 1063400 -241.955 29.913 -12.0712 29.912 89.9789 222.982 -12.0715 222.983 -194.275 GPRESSURE: 1063400 -214.497 23.5246 -28.8905 18.2688 94.776 129.518 -22.3964 268.762 -132.303 PRESSAVG: 1063400 19.2873 80.4017 30.5297 80.4017 -17.606 67.7674 30.5296 67.7675 5.71687 GPRESSAVG: 1063400 18.6285 79.0453 30.2427 81.4111 -17.3095 67.749 30.5161 66.2323 6.25977 TIMING: 1063400 CPU: 3081.44, 0.00289624/step Wall: 3081.44, 0.00289624/step, 3.16704 hours remaining, 206.976562 MB of memory in use. ENERGY: 1063400 773.0409 2063.4321 1906.8311 110.1183 -205876.6174 17620.1580 0.0000 0.0000 34140.7024 -149262.3346 298.1592 -183403.0369 -149165.4438 298.2948 -115.4170 -84.0079 557599.1280 2.4661 2.5262 PRESSURE: 1063600 -179.659 50.5699 86.4624 50.5716 -184.159 -10.4825 86.4623 -10.4819 -2.9328 GPRESSURE: 1063600 -183.346 -3.979 128.754 84.7185 -165.671 38.9013 6.87677 23.9806 66.5036 PRESSAVG: 1063600 -31.9844 2.86988 26.3747 2.86991 68.8172 19.4051 26.3747 19.4051 -22.7863 GPRESSAVG: 1063600 -31.6803 2.69304 26.7876 2.49439 68.8117 17.8207 26.2607 21.8312 -22.8268 TIMING: 1063600 CPU: 3082.01, 0.00288671/step Wall: 3082.01, 0.00288671/step, 3.15646 hours remaining, 206.976562 MB of memory in use. ENERGY: 1063600 734.7356 2121.6332 1940.2140 120.9205 -206059.5464 17563.5245 0.0000 0.0000 34284.5533 -149293.9655 299.4155 -183578.5187 -149199.0504 299.2171 -122.2505 -94.1712 557912.7671 4.6821 4.7682 PRESSURE: 1063800 162.044 33.8762 212.731 33.8749 -149.274 -50.299 212.731 -50.2989 179.642 GPRESSURE: 1063800 217.104 55.1773 304.504 91.0163 -125.532 -2.55909 208.536 -10.4076 192.266 PRESSAVG: 1063800 -1.92145 -17.0022 -41.1262 -17.0023 -74.3102 -5.93874 -41.1262 -5.93864 101.203 GPRESSAVG: 1063800 -0.969454 -15.6869 -41.9443 -16.7765 -74.6682 -3.09068 -40.3496 -8.60509 100.605 TIMING: 1063800 CPU: 3082.59, 0.00290131/step Wall: 3082.59, 0.00290131/step, 3.17226 hours remaining, 206.976562 MB of memory in use. ENERGY: 1063800 731.2604 2083.3633 1925.3406 107.2079 -206225.0860 17824.5964 0.0000 0.0000 34147.6620 -149405.6554 298.2200 -183553.3174 -149304.9427 299.1984 64.1377 94.6126 558267.7953 8.3238 8.3226 PRESSURE: 1064000 86.6416 10.696 -119.622 10.6971 -186.09 -149.752 -119.621 -149.753 95.6572 GPRESSURE: 1064000 122.36 -14.3162 -100.294 20.3985 -136.926 -148.89 -18.834 -105.15 114.202 PRESSAVG: 1064000 4.44723 -22.0165 -9.04745 -22.0165 24.5816 28.8052 -9.04744 28.8052 -19.1297 GPRESSAVG: 1064000 4.76733 -21.9877 -8.59691 -24.3058 24.9459 29.2295 -7.84046 31.5056 -19.2043 TIMING: 1064000 CPU: 3083.17, 0.00288561/step Wall: 3083.17, 0.00288561/step, 3.15494 hours remaining, 206.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1064000 752.7248 2057.7355 1906.9385 116.1066 -206250.5691 17948.9468 0.0000 0.0000 34300.3870 -149167.7300 299.5538 -183468.1169 -149071.6645 298.4510 -1.2636 33.2124 559205.1827 3.2997 3.5030 PRESSURE: 1064200 -100.368 -212.745 16.2535 -212.745 -17.7802 -85.5592 16.2545 -85.5594 -79.8354 GPRESSURE: 1064200 -43.8209 -154.587 67.7764 -296.095 10.1595 -82.765 -35.1453 -206.336 -65.5737 PRESSAVG: 1064200 0.668915 -18.6555 18.9988 -18.6555 -9.74876 -7.72537 18.9988 -7.72548 22.4669 GPRESSAVG: 1064200 2.09004 -20.4935 19.1632 -15.2313 -9.9555 -9.41579 16.3417 -8.59509 21.0942 TIMING: 1064200 CPU: 3083.75, 0.00288868/step Wall: 3083.75, 0.00288868/step, 3.15813 hours remaining, 206.976562 MB of memory in use. ENERGY: 1064200 728.6885 2125.1772 1966.3407 138.1245 -205843.1210 17647.5371 0.0000 0.0000 34028.2336 -149209.0195 297.1770 -183237.2531 -149107.1702 299.2367 -65.9944 -33.0784 557901.6697 4.4623 4.4096 LDB: ============= START OF LOAD BALANCING ============== 3087.13 LDB: ============== END OF LOAD BALANCING =============== 3087.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3087.13 LDB: ============= START OF LOAD BALANCING ============== 3087.42 LDB: Largest compute 4820 load 0.024245 is 20.5% of average load 0.118049 LDB: Average compute 0.001695 is 1.4% of average load 0.118049 LDB: TIME 3087.43 LOAD: AVG 0.118049 MAX 0.184326 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 3087.43 LOAD: AVG 0.118049 MAX 0.184326 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: TIME 3087.43 LOAD: AVG 0.118049 MAX 0.184326 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3087.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3087.43 PRESSURE: 1064400 54.2909 -153.116 -73.8857 -153.115 -4.82713 -105.042 -73.8852 -105.044 -41.4827 GPRESSURE: 1064400 23.6537 -134.352 -13.5375 -160.309 91.6254 -160.585 -94.7091 -23.2032 -12.9606 PRESSAVG: 1064400 35.5312 16.9177 25.0297 16.9178 -3.77568 -38.4305 25.0297 -38.4305 -29.4731 GPRESSAVG: 1064400 33.4187 15.7639 25.0888 14.3093 -2.83512 -38.3673 25.6714 -37.5623 -28.1434 TIMING: 1064400 CPU: 3084.34, 0.00294943/step Wall: 3084.34, 0.00294943/step, 3.22438 hours remaining, 208.761719 MB of memory in use. ENERGY: 1064400 701.7603 2120.5853 1941.0610 112.5731 -205845.3292 17720.2111 0.0000 0.0000 34028.8486 -149220.2898 297.1824 -183249.1384 -149116.3183 299.5848 2.6603 34.1062 557007.8507 0.7608 0.8134 PRESSURE: 1064600 -84.0165 -28.0657 0.722719 -28.0677 -86.1218 -144.448 0.723248 -144.446 -192.487 GPRESSURE: 1064600 -51.0294 -2.18 23.7933 -88.7377 -90.9454 -182.848 -22.8237 -153.26 -120.076 PRESSAVG: 1064600 1.05775 -28.4948 43.7181 -28.4949 5.88953 -23.884 43.7181 -23.884 0.75277 GPRESSAVG: 1064600 1.51301 -25.7079 44.5255 -27.1372 6.03835 -24.8939 42.7495 -25.3633 0.460408 TIMING: 1064600 CPU: 3084.92, 0.00292159/step Wall: 3084.92, 0.00292159/step, 3.19379 hours remaining, 208.960938 MB of memory in use. ENERGY: 1064600 713.5660 2132.1189 1935.0540 117.3254 -206065.4176 17539.9295 0.0000 0.0000 34329.6131 -149297.8107 299.8090 -183627.4238 -149201.9920 298.8061 -120.8753 -87.3502 558414.0516 2.5667 2.6706 PRESSURE: 1064800 -235.303 54.6677 45.6008 54.6676 -228.198 20.2409 45.6009 20.2424 -30.7135 GPRESSURE: 1064800 -156.981 77.1051 48.1052 134.532 -215.558 1.28329 26.8872 -0.615302 -31.486 PRESSAVG: 1064800 7.00588 21.9908 -21.1799 21.9908 33.3758 -14.1644 -21.18 -14.1644 -65.9326 GPRESSAVG: 1064800 8.31346 22.9777 -18.5407 19.5427 31.3618 -13.1026 -22.926 -13.8921 -65.2081 TIMING: 1064800 CPU: 3085.5, 0.00290404/step Wall: 3085.5, 0.00290404/step, 3.17444 hours remaining, 208.960938 MB of memory in use. ENERGY: 1064800 727.2397 2083.8603 1962.3764 108.4329 -206343.2007 17754.2897 0.0000 0.0000 34262.0261 -149444.9756 299.2188 -183707.0017 -149344.7747 298.8473 -164.7380 -134.6750 559669.2580 -8.5170 -8.5109 PRESSURE: 1065000 42.0564 67.3247 -31.3142 67.3254 2.83288 -30.776 -31.3133 -30.7754 -300.556 GPRESSURE: 1065000 50.8915 -17.1695 47.2095 155.112 43.8788 -15.0161 -105.676 -37.4568 -249.828 PRESSAVG: 1065000 35.5788 -3.41981 -1.22745 -3.41979 -36.8034 30.8282 -1.22748 30.8282 -30.0758 GPRESSAVG: 1065000 35.0198 -3.82893 -4.53714 -2.4218 -35.5134 32.0011 -0.433907 31.1604 -30.6306 TIMING: 1065000 CPU: 3086.09, 0.00291653/step Wall: 3086.09, 0.00291653/step, 3.18793 hours remaining, 209.015625 MB of memory in use. ENERGY: 1065000 766.4203 2119.1533 1961.2465 104.3035 -206420.5157 17865.1152 0.0000 0.0000 34153.0464 -149451.2306 298.2670 -183604.2770 -149355.6670 298.5446 -85.2222 -51.6859 558787.1715 -10.4335 -10.3747 PRESSURE: 1065200 -186.424 53.61 -21.0872 53.6098 -299.845 48.4533 -21.087 48.4556 -174.103 GPRESSURE: 1065200 -168.529 75.5232 21.9646 20.6912 -242.549 27.3116 11.9276 74.7058 -164.38 PRESSAVG: 1065200 -2.89842 -8.44122 -17.4944 -8.44122 -9.72587 -12.2788 -17.4944 -12.2787 58.2565 GPRESSAVG: 1065200 -2.22311 -8.84253 -15.9346 -9.52276 -10.717 -13.8749 -17.071 -12.6075 58.1765 TIMING: 1065200 CPU: 3086.67, 0.00290678/step Wall: 3086.67, 0.00290678/step, 3.17711 hours remaining, 209.015625 MB of memory in use. ENERGY: 1065200 772.2190 2072.2730 1948.6994 113.0803 -206107.9579 17669.1046 0.0000 0.0000 34171.6004 -149360.9812 298.4291 -183532.5816 -149259.3549 298.6541 -220.1240 -191.8194 560758.1665 15.2107 15.0788 PRESSURE: 1065400 103.465 -32.6214 -1.24029 -32.6223 85.7452 -12.7195 -1.24029 -12.7183 -275.365 GPRESSURE: 1065400 137.844 2.99438 99.6768 -29.871 126.671 48.3992 -70.7699 -53.68 -260.107 PRESSAVG: 1065400 -9.04682 -38.7269 7.86058 -38.7269 0.736624 -78.8807 7.86061 -78.8807 -30.3464 GPRESSAVG: 1065400 -10.2806 -41.3459 7.34131 -35.1482 1.62978 -77.793 8.39704 -80.5603 -30.2374 TIMING: 1065400 CPU: 3087.24, 0.0028779/step Wall: 3087.24, 0.0028779/step, 3.14539 hours remaining, 209.015625 MB of memory in use. ENERGY: 1065400 722.1374 2105.6996 1943.3767 113.6803 -206425.9282 17856.3205 0.0000 0.0000 34063.9723 -149620.7415 297.4891 -183684.7137 -149531.0166 298.2829 -28.7183 1.4692 557971.5045 -12.8855 -12.9627 PRESSURE: 1065600 78.6811 50.7214 -44.9442 50.7204 15.0967 -159.549 -44.9447 -159.549 -28.6343 GPRESSURE: 1065600 110.493 49.7653 -42.4584 86.673 83.8109 -153.522 -13.4266 -122.682 -36.6498 PRESSAVG: 1065600 9.06241 -47.4345 -15.4884 -47.4344 7.46595 -71.0106 -15.4885 -71.0106 11.9865 GPRESSAVG: 1065600 9.31455 -48.2036 -16.6364 -48.1669 7.72886 -70.4938 -16.5848 -70.3255 11.7791 TIMING: 1065600 CPU: 3087.82, 0.00289525/step Wall: 3087.82, 0.00289525/step, 3.16419 hours remaining, 209.015625 MB of memory in use. ENERGY: 1065600 730.6699 2042.5036 1948.8727 106.6758 -206237.7529 17798.2051 0.0000 0.0000 33959.5465 -149651.2793 296.5772 -183610.8258 -149548.4025 297.6909 21.7145 52.5515 557052.8429 9.5050 9.6075 PRESSURE: 1065800 -143.544 -64.4977 -4.95542 -64.4963 117.54 181.157 -4.95324 181.156 -250.348 GPRESSURE: 1065800 -65.6748 21.9922 -71.7671 -79.8281 129.904 132.014 21.82 153.888 -245.395 PRESSAVG: 1065800 -19.3032 -13.6911 2.85271 -13.6912 46.9006 -48.5052 2.85275 -48.5051 -29.3945 GPRESSAVG: 1065800 -19.7198 -10.5772 3.62732 -15.7891 47.0194 -48.2557 4.18723 -48.911 -28.7744 TIMING: 1065800 CPU: 3088.4, 0.00288212/step Wall: 3088.4, 0.00288212/step, 3.14967 hours remaining, 209.015625 MB of memory in use. ENERGY: 1065800 744.4957 2078.0179 1962.5346 105.6320 -206525.4328 17903.2139 0.0000 0.0000 34043.6239 -149687.9148 297.3114 -183731.5387 -149595.2708 297.7417 -92.1175 -60.3887 556667.4940 -0.5990 -0.4916 PRESSURE: 1066000 -37.3258 -98.0403 86.592 -98.0402 -0.907442 29.4858 86.592 29.4872 -178.419 GPRESSURE: 1066000 -27.633 -85.7797 110.67 -17.2382 35.2809 10.8382 120.036 23.1916 -133.575 PRESSAVG: 1066000 30.1077 -39.0242 0.193926 -39.0243 -51.6936 -26.1557 0.193769 -26.1557 35.8245 GPRESSAVG: 1066000 31.078 -39.4384 1.63911 -37.4858 -50.6878 -27.1323 -0.990294 -22.9305 34.1046 TIMING: 1066000 CPU: 3088.98, 0.00288569/step Wall: 3088.98, 0.00288569/step, 3.15342 hours remaining, 209.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1066000 740.7526 2098.6621 1931.8347 117.0480 -206288.2262 17642.1473 0.0000 0.0000 34052.8719 -149704.9096 297.3922 -183757.7815 -149600.8598 297.4776 -72.2173 -41.9758 557261.3916 4.7462 4.8316 PRESSURE: 1066200 -254.403 3.52615 35.5147 3.52658 -230.564 74.9097 35.5154 74.9106 -125.754 GPRESSURE: 1066200 -204.465 86.0206 -20.0627 33.5518 -163.475 110.144 23.2258 98.6108 -140.094 PRESSAVG: 1066200 -41.3472 -42.1427 -20.1102 -42.1427 -20.1689 -23.4682 -20.1102 -23.4681 53.8176 GPRESSAVG: 1066200 -42.5497 -40.8295 -21.7023 -43.471 -19.891 -23.2739 -19.9304 -26.8525 54.4578 TIMING: 1066200 CPU: 3089.55, 0.00289593/step Wall: 3089.55, 0.00289593/step, 3.16445 hours remaining, 209.015625 MB of memory in use. ENERGY: 1066200 760.7173 2118.9544 1901.5285 117.5553 -206217.2530 17661.6844 0.0000 0.0000 34014.1806 -149642.6326 297.0543 -183656.8132 -149542.4418 297.8524 -203.5734 -169.3449 557352.1671 -2.5661 -2.6610 PRESSURE: 1066400 53.7365 93.989 -2.20556 93.9888 81.8729 77.7434 -2.20586 77.7439 270.425 GPRESSURE: 1066400 128.197 134.7 -45.1132 81.0275 122.334 84.4541 -71.9093 80.756 260.893 PRESSAVG: 1066400 -11.6267 31.8232 -0.531255 31.8232 -88.0111 23.5244 -0.531284 23.5245 83.0205 GPRESSAVG: 1066400 -10.5837 30.2912 -1.24587 32.9944 -88.9601 22.672 -0.111999 25.5265 83.2025 TIMING: 1066400 CPU: 3090.13, 0.00287744/step Wall: 3090.13, 0.00287744/step, 3.14408 hours remaining, 209.015625 MB of memory in use. ENERGY: 1066400 740.8005 2121.2402 1923.2811 109.4729 -206680.5748 18113.4972 0.0000 0.0000 34079.6386 -149592.6442 297.6260 -183672.2828 -149494.4642 298.8038 135.3448 170.4748 556671.5421 -5.5391 -5.4471 PRESSURE: 1066600 -234.823 32.0938 -45.405 32.0922 -152.924 -131.41 -45.4058 -131.41 -0.778923 GPRESSURE: 1066600 -158.956 75.4988 -60.9678 40.2823 -171.914 -98.4157 10.7896 -160.184 20.7107 PRESSAVG: 1066600 -4.66402 61.4191 -2.26268 61.4191 -10.326 -2.24184 -2.26262 -2.24184 15.752 GPRESSAVG: 1066600 -4.64146 62.1013 -2.58715 60.3643 -11.1747 -0.645995 -2.12061 -4.15014 16.3528 TIMING: 1066600 CPU: 3090.71, 0.00287897/step Wall: 3090.71, 0.00287897/step, 3.14559 hours remaining, 209.015625 MB of memory in use. ENERGY: 1066600 767.2334 2108.4542 1947.0133 112.5645 -206561.8445 17803.1512 0.0000 0.0000 34206.0474 -149617.3804 298.7299 -183823.4278 -149517.5359 298.8275 -129.5087 -103.3867 558641.1554 0.2540 0.1789 PRESSURE: 1066800 -53.5121 18.779 -110.943 18.7785 33.3996 119.745 -110.942 119.746 131.889 GPRESSURE: 1066800 -10.8705 -23.8474 -161.585 71.3834 56.2163 10.7155 -36.6059 156.848 162.165 PRESSAVG: 1066800 -113.243 8.11864 2.53261 8.11861 36.5458 -16.9205 2.53262 -16.9205 63.9116 GPRESSAVG: 1066800 -114.248 6.76459 2.84731 8.39616 38.1524 -17.8678 3.28718 -13.8 63.3027 TIMING: 1066800 CPU: 3091.29, 0.00291589/step Wall: 3091.29, 0.00291589/step, 3.18577 hours remaining, 209.015625 MB of memory in use. ENERGY: 1066800 769.8043 2121.5704 1943.1219 112.4923 -206818.2635 18144.7387 0.0000 0.0000 34074.2122 -149652.3237 297.5786 -183726.5359 -149562.5878 298.4265 37.2589 69.1702 558703.8256 -4.2618 -4.2643 PRESSURE: 1067000 -24.8553 -77.8983 12.2424 -77.8982 -17.7851 -107.831 12.2421 -107.832 -177.39 GPRESSURE: 1067000 23.8454 -83.5571 41.666 -101.464 -29.5056 -61.1974 -66.0944 -139.948 -134.909 PRESSAVG: 1067000 11.0717 -37.1889 14.87 -37.1888 27.7052 -23.7088 14.87 -23.7087 -18.4643 GPRESSAVG: 1067000 12.5102 -37.0743 15.86 -37.7802 26.2689 -20.5273 13.1078 -26.1556 -18.2091 TIMING: 1067000 CPU: 3091.87, 0.00289623/step Wall: 3091.87, 0.00289623/step, 3.16413 hours remaining, 209.015625 MB of memory in use. ENERGY: 1067000 754.8854 2101.0525 1923.0610 108.6010 -206441.6524 17736.5954 0.0000 0.0000 34127.7014 -149689.7557 298.0457 -183817.4571 -149591.1671 297.7122 -73.3434 -46.8565 556646.7534 6.7709 6.8566 PRESSURE: 1067200 251.133 -59.6429 -77.8292 -59.6426 44.9827 -13.4962 -77.8308 -13.4961 -133.501 GPRESSURE: 1067200 253.806 54.238 -60.4372 -177.121 100.589 -13.5571 -135.677 -56.5616 -114.311 PRESSAVG: 1067200 -32.1405 -39.7099 -2.21176 -39.7098 12.2356 -65.765 -2.21182 -65.765 16.6785 GPRESSAVG: 1067200 -32.9773 -40.1863 -2.09495 -38.3942 13.1699 -69.2151 0.0553333 -64.3727 16.3184 TIMING: 1067200 CPU: 3092.44, 0.00287942/step Wall: 3092.44, 0.00287942/step, 3.14561 hours remaining, 209.015625 MB of memory in use. ENERGY: 1067200 732.6838 2118.0201 1967.6405 130.0825 -206680.5666 17987.2488 0.0000 0.0000 34087.1715 -149657.7193 297.6917 -183744.8908 -149565.3403 297.9164 54.2049 80.0279 556756.0817 -1.0755 -1.1630 PRESSURE: 1067400 -421.869 28.642 33.5938 28.6416 -277.74 -19.6224 33.5931 -19.6216 -104.088 GPRESSURE: 1067400 -388.353 54.3856 91.6446 65.8029 -278.713 -100.487 -27.3591 -39.261 -46.2147 PRESSAVG: 1067400 -12.6994 -38.5905 26.07 -38.5905 25.8353 -40.5038 26.0701 -40.5039 17.5111 GPRESSAVG: 1067400 -11.8412 -38.0083 27.1624 -37.7518 25.9408 -40.1583 23.2548 -38.6024 16.636 TIMING: 1067400 CPU: 3093.02, 0.00288986/step Wall: 3093.02, 0.00288986/step, 3.15685 hours remaining, 209.015625 MB of memory in use. ENERGY: 1067400 758.6168 2098.1852 1922.5786 119.4062 -206002.4847 17631.1790 0.0000 0.0000 33829.7684 -149642.7504 295.4438 -183472.5189 -149549.5096 297.6580 -267.8993 -237.7602 559820.0729 10.2157 10.2452 PRESSURE: 1067600 195.038 41.8095 -55.6189 41.8093 -212.211 -34.0352 -55.6196 -34.0359 -77.5115 GPRESSURE: 1067600 249.257 50.0046 32.8821 1.74474 -178.667 -40.3643 -116.567 -79.2222 -70.8369 PRESSAVG: 1067600 -0.194304 -21.4351 25.2063 -21.4351 27.5749 14.9872 25.2064 14.9871 -18.1086 GPRESSAVG: 1067600 -0.622734 -22.1286 24.1081 -22.3351 26.7474 15.2214 24.8967 12.7732 -16.8346 TIMING: 1067600 CPU: 3093.6, 0.00289026/step Wall: 3093.6, 0.00289025/step, 3.15712 hours remaining, 209.015625 MB of memory in use. ENERGY: 1067600 748.4790 2097.2778 1932.4076 107.2111 -206866.9267 18270.9421 0.0000 0.0000 34160.1708 -149550.4382 298.3293 -183710.6090 -149451.5758 297.4754 -31.5615 -0.0824 559966.6509 3.0907 3.0967 PRESSURE: 1067800 228.018 41.7866 -88.6005 41.787 -87.9597 -137.203 -88.5994 -137.204 43.8396 GPRESSURE: 1067800 268.107 103.461 -92.552 1.98854 -77.6601 -96.7064 -127.851 -90.3567 93.9957 PRESSAVG: 1067800 44.1986 -21.0297 -49.7238 -21.0297 -55.0363 7.63632 -49.7239 7.63625 -35.4239 GPRESSAVG: 1067800 45.6588 -21.2721 -48.594 -20.1062 -55.2298 8.02007 -48.5679 6.31586 -37.0324 TIMING: 1067800 CPU: 3094.18, 0.00288622/step Wall: 3094.18, 0.00288622/step, 3.15255 hours remaining, 209.015625 MB of memory in use. ENERGY: 1067800 741.7928 2089.8639 1934.8207 99.2344 -206568.1907 17960.0306 0.0000 0.0000 34403.5415 -149338.9068 300.4547 -183742.4483 -149245.7327 298.5120 61.2993 94.8142 557614.1656 -15.4205 -15.5345 PRESSURE: 1068000 -217.446 -133.458 -173.95 -133.457 151.86 -99.4342 -173.949 -99.4344 -100.239 GPRESSURE: 1068000 -150.97 -116.455 2.10471 -160.068 180.129 -88.2348 -188.275 -120.781 -93.3081 PRESSAVG: 1068000 -85.1321 -34.103 6.96611 -34.103 52.6724 10.3393 6.96611 10.3392 16.803 GPRESSAVG: 1068000 -88.0558 -34.7019 7.07307 -35.0773 53.8008 11.0112 7.38245 13.472 18.7943 TIMING: 1068000 CPU: 3094.76, 0.00289903/step Wall: 3094.76, 0.00289903/step, 3.16639 hours remaining, 209.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1068000 768.4678 2116.2792 1933.8893 112.9553 -206643.3700 18095.4208 0.0000 0.0000 34233.3586 -149382.9990 298.9684 -183616.3576 -149284.8406 298.7332 -55.2750 -21.3830 559202.8702 -5.2189 -5.1536 PRESSURE: 1068200 27.1558 183.284 -74.2853 183.284 -261.794 95.8927 -74.2853 95.8946 -35.9674 GPRESSURE: 1068200 11.6448 129.578 -6.22992 153.145 -208.687 2.00069 -87.3717 126.889 15.0825 PRESSAVG: 1068200 -6.64024 66.9838 -1.92901 66.9838 -31.1585 26.1138 -1.92907 26.1138 31.4692 GPRESSAVG: 1068200 -4.72941 68.6107 -2.88988 66.272 -30.8483 25.2277 -1.73943 27.0858 29.5931 TIMING: 1068200 CPU: 3095.34, 0.00289836/step Wall: 3095.34, 0.00289836/step, 3.16549 hours remaining, 209.015625 MB of memory in use. ENERGY: 1068200 733.1338 2110.2941 1933.0564 109.3121 -206323.8858 17862.4912 0.0000 0.0000 34281.6316 -149293.9665 299.3900 -183575.5981 -149192.3950 298.8313 -90.2019 -60.6531 559810.4142 -2.1099 -1.9949 LDB: ============= START OF LOAD BALANCING ============== 3098.72 LDB: ============== END OF LOAD BALANCING =============== 3098.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3098.72 LDB: ============= START OF LOAD BALANCING ============== 3099.01 LDB: Largest compute 4820 load 0.023519 is 19.9% of average load 0.118044 LDB: Average compute 0.001696 is 1.4% of average load 0.118044 LDB: TIME 3099.02 LOAD: AVG 0.118044 MAX 0.184188 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.195 MB LDB: TIME 3099.02 LOAD: AVG 0.118044 MAX 0.184188 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: TIME 3099.02 LOAD: AVG 0.118044 MAX 0.184188 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: ============== END OF LOAD BALANCING =============== 3099.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3099.02 PRESSURE: 1068400 194.164 43.0899 103.858 43.0909 85.5277 16.7461 103.856 16.7464 224.831 GPRESSURE: 1068400 204.089 -10.2741 46.2424 48.6241 129.092 -43.2922 122.34 16.2358 256.065 PRESSAVG: 1068400 78.5607 28.1734 -3.60875 28.1733 -97.8756 32.1622 -3.60883 32.1623 45.4201 GPRESSAVG: 1068400 77.8702 26.1939 -4.68176 30.6027 -98.0046 32.5069 -3.46082 30.2974 46.6706 TIMING: 1068400 CPU: 3095.93, 0.00294989/step Wall: 3095.93, 0.00294989/step, 3.22161 hours remaining, 208.250000 MB of memory in use. ENERGY: 1068400 691.3961 2141.9144 1917.9664 115.6681 -206396.3191 17968.5432 0.0000 0.0000 34330.1736 -149230.6575 299.8139 -183560.8311 -149130.1940 299.2403 168.1740 196.4154 557631.9193 8.7017 8.8454 PRESSURE: 1068600 66.4933 -103.29 -8.76533 -103.29 42.6018 91.6001 -8.76705 91.5991 -7.40953 GPRESSURE: 1068600 77.7346 -91.3272 -52.5154 -83.7868 46.7707 118.927 84.8507 47.2378 73.212 PRESSAVG: 1068600 27.8266 -9.61762 10.0445 -9.61757 4.00965 2.46988 10.0445 2.46989 -19.3919 GPRESSAVG: 1068600 28.5305 -8.51174 11.681 -11.1478 3.65259 0.95168 11.4132 4.13838 -19.8536 TIMING: 1068600 CPU: 3096.5, 0.00288637/step Wall: 3096.5, 0.00288637/step, 3.15208 hours remaining, 208.394531 MB of memory in use. ENERGY: 1068600 756.5406 2018.7305 1984.3015 119.9893 -206606.1529 18006.6555 0.0000 0.0000 34338.4710 -149381.4644 299.8864 -183719.9354 -149276.8629 298.8677 33.8952 65.9058 557345.2178 4.1481 4.1098 PRESSURE: 1068800 -60.8554 89.6822 -101.133 89.6823 -34.1139 -82.459 -101.133 -82.4573 -75.6113 GPRESSURE: 1068800 -75.6283 102.506 -68.8388 107.511 8.29199 -96.3824 -114.195 -66.1102 -15.2296 PRESSAVG: 1068800 9.03506 15.6436 -47.0393 15.6437 -5.17141 -23.606 -47.0393 -23.6061 15.0266 GPRESSAVG: 1068800 8.2556 14.533 -49.3815 16.6115 -4.10866 -21.7374 -48.1133 -24.9427 14.5386 TIMING: 1068800 CPU: 3097.08, 0.00287963/step Wall: 3097.08, 0.00287963/step, 3.14456 hours remaining, 208.394531 MB of memory in use. ENERGY: 1068800 749.4949 2179.0474 1956.7736 120.9220 -206086.3384 17788.9545 0.0000 0.0000 34058.4687 -149232.6774 297.4411 -183291.1461 -149148.8275 298.6727 -56.8602 -27.5220 558551.3267 6.2968 6.2285 PRESSURE: 1069000 -9.76608 -110.154 -90.7696 -110.153 289.984 -93.6222 -90.7703 -93.6229 -41.1996 GPRESSURE: 1069000 20.8861 -136.343 -45.322 -139.587 293.813 -75.9612 -208.101 -27.798 10.0437 PRESSAVG: 1069000 -64.1361 -8.69235 14.6313 -8.69226 2.88231 -8.42198 14.6314 -8.42204 44.6483 GPRESSAVG: 1069000 -63.6322 -9.56041 16.6568 -10.2061 1.68746 -9.19405 13.8893 -7.6214 46.0129 TIMING: 1069000 CPU: 3097.66, 0.00289593/step Wall: 3097.66, 0.00289593/step, 3.1622 hours remaining, 208.394531 MB of memory in use. ENERGY: 1069000 726.2320 2098.5710 1952.2409 118.5586 -205891.7894 17773.2893 0.0000 0.0000 33961.0386 -149261.8590 296.5902 -183222.8976 -149163.3898 298.9598 79.6728 108.2476 559021.4560 -5.5351 -5.3106 PRESSURE: 1069200 66.8698 19.8057 -154.834 19.8047 30.1035 -76.2852 -154.834 -76.2854 93.4288 GPRESSURE: 1069200 91.5535 2.96091 -116.526 46.0611 75.8803 -10.6655 -148.739 -16.9721 116.208 PRESSAVG: 1069200 -15.2327 12.2961 12.3401 12.2961 52.5833 -2.61343 12.3401 -2.61346 -5.86459 GPRESSAVG: 1069200 -15.5364 14.0693 12.2007 13.0005 54.2887 -3.36609 13.1749 -2.71674 -7.24787 TIMING: 1069200 CPU: 3098.24, 0.00288504/step Wall: 3098.24, 0.00288504/step, 3.15014 hours remaining, 208.394531 MB of memory in use. ENERGY: 1069200 725.5123 2128.1850 1929.1691 119.5572 -206370.1341 18091.8684 0.0000 0.0000 34163.1524 -149212.6897 298.3553 -183375.8421 -149118.5933 299.1959 63.4674 94.5474 559116.2820 10.4953 10.5015 PRESSURE: 1069400 -126.557 -68.3976 -244.975 -68.3974 31.0242 29.6243 -244.975 29.6262 58.5354 GPRESSURE: 1069400 -84.1308 -51.7049 -263.534 5.25731 24.7765 44.7201 -241.404 -20.5306 122.652 PRESSAVG: 1069400 5.1499 -10.8699 -3.93578 -10.8698 -56.5412 -29.3116 -3.9359 -29.3116 57.7665 GPRESSAVG: 1069400 6.04448 -12.4145 -5.45576 -9.38709 -56.7704 -29.0163 -3.17098 -28.7102 57.2538 TIMING: 1069400 CPU: 3098.81, 0.00288874/step Wall: 3098.81, 0.00288874/step, 3.15403 hours remaining, 208.394531 MB of memory in use. ENERGY: 1069400 731.2365 2066.2891 1938.9111 118.9183 -206487.9123 17963.1094 0.0000 0.0000 34413.7163 -149255.7316 300.5435 -183669.4480 -149156.7912 298.9381 -12.3326 21.0991 560424.5315 2.1251 2.1759 PRESSURE: 1069600 -124.243 -40.9875 -62.3889 -40.9885 -148.803 56.5907 -62.3902 56.5912 46.7433 GPRESSURE: 1069600 -93.8443 -3.69241 -46.7779 -22.6172 -91.366 73.2696 -56.9983 65.8309 42.5498 PRESSAVG: 1069600 4.33657 6.76076 -21.7823 6.76066 -43.1786 -33.3082 -21.7823 -33.3083 44.6824 GPRESSAVG: 1069600 3.99564 6.93914 -21.2899 4.15804 -43.9098 -31.7487 -22.6944 -34.1914 46.0541 TIMING: 1069600 CPU: 3099.39, 0.00289665/step Wall: 3099.39, 0.00289665/step, 3.1625 hours remaining, 208.394531 MB of memory in use. ENERGY: 1069600 768.2447 2097.6898 1952.5682 110.9334 -206189.3882 18003.4588 0.0000 0.0000 34033.4806 -149223.0127 297.2229 -183256.4933 -149126.8685 298.7096 -75.4343 -47.5535 560650.6214 1.9468 2.0466 PRESSURE: 1069800 37.8349 -127.634 -0.559406 -127.634 121.993 6.99665 -0.55862 6.99629 134.494 GPRESSURE: 1069800 149.62 -169.216 -83.7844 -140.097 121.144 -39.3166 111.961 6.67645 112.412 PRESSAVG: 1069800 -29.4493 -47.1058 -7.44577 -47.1059 48.4574 -19.8086 -7.44578 -19.8085 -2.55635 GPRESSAVG: 1069800 -29.1403 -45.9844 -11.2877 -45.6556 49.3852 -19.4831 -6.53095 -18.9823 -3.29007 TIMING: 1069800 CPU: 3099.97, 0.0028834/step Wall: 3099.97, 0.0028834/step, 3.14788 hours remaining, 208.394531 MB of memory in use. ENERGY: 1069800 739.6735 2118.4934 1977.7311 105.9094 -206667.9307 18167.0959 0.0000 0.0000 34360.4390 -149198.5882 300.0783 -183559.0272 -149106.2184 299.3308 98.1074 127.7252 558444.3286 5.4839 5.6516 PRESSURE: 1070000 54.0055 64.8556 13.0854 64.8565 46.1401 46.9342 13.0841 46.9354 88.5609 GPRESSURE: 1070000 109.414 -42.1725 8.32381 47.8559 71.0063 110.755 28.1666 12.4396 117.407 PRESSAVG: 1070000 62.7447 -66.1195 -17.8086 -66.1195 -52.9963 15.2102 -17.8086 15.2101 -20.3637 GPRESSAVG: 1070000 61.862 -68.3822 -14.6481 -67.4851 -53.8604 13.0335 -18.89 14.5496 -18.4822 TIMING: 1070000 CPU: 3100.55, 0.00289455/step Wall: 3100.55, 0.00289455/step, 3.15988 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1070000 753.8347 2095.3318 1909.1693 125.7234 -206139.1621 17954.6128 0.0000 0.0000 34177.8014 -149122.6888 298.4832 -183300.4902 -149026.9647 299.6778 62.9022 99.2757 559775.8309 -3.5384 -3.4935 PRESSURE: 1070200 -27.8678 -56.2297 -34.6678 -56.2304 -49.7433 -53.734 -34.6667 -53.7339 -62.631 GPRESSURE: 1070200 8.78805 -103.278 -98.7098 -12.0539 -23.6154 -61.3311 0.259228 -63.662 -20.8287 PRESSAVG: 1070200 51.8914 -14.7865 -38.3237 -14.7865 11.0167 22.2099 -38.3236 22.2096 -13.6631 GPRESSAVG: 1070200 52.1748 -13.2445 -38.1103 -14.5861 12.0113 21.8737 -37.7887 21.9609 -14.007 TIMING: 1070200 CPU: 3101.13, 0.00290393/step Wall: 3101.13, 0.00290393/step, 3.16996 hours remaining, 208.394531 MB of memory in use. ENERGY: 1070200 737.1008 2065.2180 1981.4186 122.3368 -205869.0008 17731.2216 0.0000 0.0000 34248.8849 -148982.8200 299.1040 -183231.7050 -148888.9329 299.9074 -46.7474 -11.8854 559562.4938 16.4150 16.7264 PRESSURE: 1070400 -153.512 -121.119 81.0364 -121.119 -38.4444 -139.587 81.0377 -139.585 237.543 GPRESSURE: 1070400 -81.9845 -103.037 109.757 -83.4856 -32.4727 -66.5561 122.955 -171.414 267.588 PRESSAVG: 1070400 49.1568 -30.6836 -41.2178 -30.6836 -14.7753 11.326 -41.2177 11.326 -31.3324 GPRESSAVG: 1070400 49.9838 -30.7578 -40.659 -30.7098 -16.5317 11.4464 -41.81 12.573 -30.4641 TIMING: 1070400 CPU: 3101.71, 0.00290882/step Wall: 3101.71, 0.00290882/step, 3.17514 hours remaining, 208.394531 MB of memory in use. ENERGY: 1070400 733.0857 2122.7714 1930.2808 133.5800 -205963.0218 17801.4747 0.0000 0.0000 34168.1065 -149073.7227 298.3986 -183241.8293 -148981.9085 300.1948 15.1955 51.0436 557813.8857 1.0164 0.9960 PRESSURE: 1070600 -103.005 -49.1551 113.96 -49.1556 8.86864 -199.609 113.961 -199.61 186.846 GPRESSURE: 1070600 -32.958 -153.075 130.943 -9.72762 57.6335 -151.037 106.038 -132.237 171.712 PRESSAVG: 1070600 2.22873 2.49202 20.1771 2.49199 43.3507 -11.0169 20.1771 -11.0168 -2.75352 GPRESSAVG: 1070600 1.62266 2.74482 19.9039 1.95 44.112 -9.66221 19.634 -11.8241 -2.47564 TIMING: 1070600 CPU: 3102.29, 0.00289967/step Wall: 3102.29, 0.00289967/step, 3.16499 hours remaining, 208.394531 MB of memory in use. ENERGY: 1070600 750.8457 2117.4155 1942.2955 105.9541 -205714.4029 17641.8806 0.0000 0.0000 34123.5233 -149032.4882 298.0092 -183156.0115 -148939.8367 299.1533 30.9032 65.4626 557503.8448 14.2753 14.4197 PRESSURE: 1070800 -252.921 63.8752 -110.149 63.8755 24.2333 96.7207 -110.15 96.7221 -6.80988 GPRESSURE: 1070800 -284.809 66.4038 -153.519 -10.9311 36.9055 62.2298 -88.1191 74.9827 112.521 PRESSAVG: 1070800 43.4795 -19.1782 -31.9436 -19.1784 -34.3695 -36.9121 -31.9436 -36.9122 -5.11404 GPRESSAVG: 1070800 42.9849 -19.5886 -33.9363 -19.2202 -33.825 -38.4545 -32.2901 -35.259 -5.283 TIMING: 1070800 CPU: 3102.87, 0.00288476/step Wall: 3102.87, 0.00288476/step, 3.14855 hours remaining, 208.394531 MB of memory in use. ENERGY: 1070800 749.1064 2060.6039 1940.3481 124.1259 -205903.7993 17574.9954 0.0000 0.0000 34270.8318 -149183.7877 299.2957 -183454.6195 -149087.4479 299.9941 -78.4991 -45.1274 556125.7355 1.3320 1.2923 PRESSURE: 1071000 115.016 16.1819 113.047 16.1817 -53.4996 -39.6606 113.047 -39.6602 -168.499 GPRESSURE: 1071000 147.295 88.702 77.7143 8.73039 -57.6316 -61.666 114.211 -26.8706 -105.804 PRESSAVG: 1071000 27.5807 6.12734 -25.1098 6.12733 -3.95173 11.6757 -25.1097 11.6758 -31.1344 GPRESSAVG: 1071000 29.0761 6.25909 -24.7478 4.72222 -5.12859 14.0845 -23.0653 11.385 -32.2453 TIMING: 1071000 CPU: 3103.44, 0.00287484/step Wall: 3103.44, 0.00287485/step, 3.13757 hours remaining, 208.394531 MB of memory in use. ENERGY: 1071000 717.2797 2086.8741 1971.1556 119.1291 -205791.1346 17580.4679 0.0000 0.0000 34185.5296 -149130.6986 298.5507 -183316.2282 -149035.1989 299.1101 -35.6609 -5.3802 556823.1475 -2.5018 -2.7659 PRESSURE: 1071200 -144.488 52.6201 -90.5383 52.6207 -129.882 -5.85533 -90.5379 -5.85555 16.5665 GPRESSURE: 1071200 -189.847 107.971 -59.2587 4.67081 -50.7516 -87.0348 -161.38 14.2372 88.1632 PRESSAVG: 1071200 -6.82779 -15.8943 -48.5839 -15.8944 -80.2229 10.9573 -48.5839 10.9574 68.5138 GPRESSAVG: 1071200 -8.09216 -15.534 -48.202 -13.5812 -78.7651 10.0641 -49.9385 10.699 68.4996 TIMING: 1071200 CPU: 3104.02, 0.00286537/step Wall: 3104.02, 0.00286537/step, 3.12707 hours remaining, 208.394531 MB of memory in use. ENERGY: 1071200 744.0161 2094.3897 1930.4321 119.6777 -206101.2526 17666.9597 0.0000 0.0000 34318.1023 -149227.6750 299.7085 -183545.7773 -149136.3209 300.0364 -85.9343 -50.8119 557129.0278 -6.1789 -6.1192 PRESSURE: 1071400 288.244 2.1078 145.101 2.1084 81.9014 -28.1897 145.101 -28.1896 100.877 GPRESSURE: 1071400 322.428 -53.3983 127.729 79.7623 137.355 -72.6917 169.17 -74.9785 89.8021 PRESSAVG: 1071400 4.87958 7.2596 -2.34785 7.25954 -30.1907 18.7837 -2.34796 18.7838 52.0633 GPRESSAVG: 1071400 4.95901 6.5849 0.00151754 7.90209 -29.8817 18.9162 -4.42577 17.488 51.8258 TIMING: 1071400 CPU: 3104.6, 0.00289723/step Wall: 3104.6, 0.00289723/step, 3.16168 hours remaining, 208.394531 MB of memory in use. ENERGY: 1071400 750.4327 2100.2098 1946.0509 100.1207 -206308.2245 17900.9213 0.0000 0.0000 34292.3025 -149218.1865 299.4832 -183510.4890 -149116.0203 299.8310 157.0076 183.1950 555320.9953 8.9174 8.9677 PRESSURE: 1071600 -231.059 -96.6896 102.949 -96.6896 -60.4005 63.5613 102.95 63.5607 -170.935 GPRESSURE: 1071600 -199.155 -113.973 100.971 -57.3682 4.53693 15.6181 65.6476 97.66 -157.833 PRESSAVG: 1071600 47.8308 16.3759 15.3939 16.3759 -122.587 -1.2478 15.3939 -1.24772 32.6534 GPRESSAVG: 1071600 48.424 15.7804 13.5367 15.562 -122.983 -2.01588 17.7601 -1.55026 32.1157 TIMING: 1071600 CPU: 3105.17, 0.00287977/step Wall: 3105.17, 0.00287977/step, 3.14247 hours remaining, 208.394531 MB of memory in use. ENERGY: 1071600 739.8383 2094.2261 1938.1441 100.7143 -205843.9893 17681.8540 0.0000 0.0000 33956.5907 -149332.6218 296.5514 -183289.2126 -149233.2666 299.3007 -154.1315 -117.4839 557450.8291 -14.0342 -14.1477 PRESSURE: 1071800 153.183 64.322 91.9583 64.3215 63.6985 -204.48 91.9581 -204.48 0.717863 GPRESSURE: 1071800 113.323 94.0591 60.7704 -12.273 83.769 -244.698 54.3692 -122.965 117.018 PRESSAVG: 1071800 65.1999 29.6928 40.106 29.6928 -24.9423 28.7424 40.106 28.7423 -6.76438 GPRESSAVG: 1071800 64.1227 29.3319 40.0668 28.5897 -24.8052 30.9255 39.6121 29.389 -6.43922 TIMING: 1071800 CPU: 3105.74, 0.00285839/step Wall: 3105.74, 0.00285839/step, 3.11898 hours remaining, 208.394531 MB of memory in use. ENERGY: 1071800 756.0926 2044.8182 1940.1564 112.0341 -206276.6498 17814.6456 0.0000 0.0000 34304.2794 -149304.6236 299.5878 -183608.9029 -149197.7997 299.5692 72.5330 104.7032 555602.0298 11.1644 10.9594 PRESSURE: 1072000 -88.9493 -183.91 236.568 -183.91 -231.404 -200.787 236.568 -200.787 -104.243 GPRESSURE: 1072000 -109.352 -172.525 159.423 -164.841 -166.496 -188.897 216.863 -215.227 -51.8105 PRESSAVG: 1072000 49.4847 11.8491 29.0753 11.8491 43.7688 -58.6237 29.0754 -58.6237 -95.8984 GPRESSAVG: 1072000 49.6589 12.7168 27.9014 13.8692 43.3284 -61.5326 31.2185 -57.5941 -95.9617 TIMING: 1072000 CPU: 3106.32, 0.00289024/step Wall: 3106.32, 0.00289024/step, 3.15357 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1072000 735.7120 2102.7185 1933.8476 102.0403 -205990.4770 17581.5779 0.0000 0.0000 34239.8200 -149294.7607 299.0249 -183534.5807 -149193.5657 299.3331 -141.5319 -109.2196 557191.0252 -0.8816 -0.9915 PRESSURE: 1072200 -24.4134 73.1649 -90.6905 73.165 -81.2519 -65.3937 -90.6904 -65.3933 194.934 GPRESSURE: 1072200 14.9073 110.283 -95.2577 120.858 -108.539 -59.5051 -82.034 -56.5931 267.585 PRESSAVG: 1072200 63.6495 6.73082 -26.6642 6.73085 -18.0191 -15.7766 -26.6642 -15.7766 5.61871 GPRESSAVG: 1072200 63.3034 5.09289 -24.8802 7.45389 -16.2668 -14.6862 -28.9718 -17.5714 4.6633 TIMING: 1072200 CPU: 3106.9, 0.00288357/step Wall: 3106.9, 0.00288357/step, 3.14614 hours remaining, 208.394531 MB of memory in use. ENERGY: 1072200 735.0960 2081.8305 1929.9708 108.6084 -206133.7221 17749.2263 0.0000 0.0000 34066.9046 -149462.0855 297.5148 -183528.9901 -149363.7740 298.6457 29.7562 57.9846 556972.9387 17.0830 17.2333 LDB: ============= START OF LOAD BALANCING ============== 3110.29 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3110.29 LDB: =============== DONE WITH MIGRATION ================ 3110.29 LDB: ============= START OF LOAD BALANCING ============== 3110.58 LDB: Largest compute 4822 load 0.023691 is 20.1% of average load 0.117990 LDB: Average compute 0.001703 is 1.4% of average load 0.117990 LDB: TIME 3110.58 LOAD: AVG 0.11799 MAX 0.184253 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.031 MB LDB: TIME 3110.58 LOAD: AVG 0.11799 MAX 0.184253 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: TIME 3110.58 LOAD: AVG 0.11799 MAX 0.184253 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3110.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3110.59 PRESSURE: 1072400 107.011 -88.5697 -27.1198 -88.5693 59.8388 -54.7838 -27.1206 -54.7837 29.1066 GPRESSURE: 1072400 169.33 -132.623 -5.77778 -103.189 70.5417 -84.5527 -30.0352 -134.937 47.2409 PRESSAVG: 1072400 14.3555 10.4421 -22.108 10.4422 -82.0108 -23.1876 -22.108 -23.1875 55.2415 GPRESSAVG: 1072400 14.4151 11.5417 -22.0401 9.11242 -83.1483 -24.0612 -22.7958 -20.5488 56.7145 TIMING: 1072400 CPU: 3107.49, 0.00296214/step Wall: 3107.49, 0.00296214/step, 3.2317 hours remaining, 206.968750 MB of memory in use. ENERGY: 1072400 703.5995 2143.1394 1950.9485 111.5879 -206190.7413 17761.8317 0.0000 0.0000 34318.4581 -149201.1762 299.7116 -183519.6342 -149104.4843 298.9758 65.3188 95.7043 556783.1742 -4.1379 -4.0062 PRESSURE: 1072600 -194.097 105.876 -61.4097 105.876 3.90265 -7.37098 -61.4095 -7.36933 -92.6416 GPRESSURE: 1072600 -181.251 86.8466 -110.221 147.264 41.0823 -39.9117 -35.8833 -55.9942 -47.3636 PRESSAVG: 1072600 -36.2503 31.2223 -51.9668 31.2222 -13.8512 16.0294 -51.9668 16.0295 70.3881 GPRESSAVG: 1072600 -36.7138 30.793 -53.8926 30.9407 -13.54 16.1269 -47.602 14.5963 70.2205 TIMING: 1072600 CPU: 3108.07, 0.00291769/step Wall: 3108.07, 0.00291769/step, 3.18304 hours remaining, 207.113281 MB of memory in use. ENERGY: 1072600 702.7494 2148.8111 1974.7007 124.7739 -205936.4753 17764.5629 0.0000 0.0000 34202.3536 -149018.5237 298.6977 -183220.8773 -148930.3466 299.6338 -94.2787 -62.5109 559446.3313 6.7622 6.6556 PRESSURE: 1072800 -77.0216 1.78314 -208.875 1.78195 -37.6254 -77.3781 -208.874 -77.3779 7.6787 GPRESSURE: 1072800 -23.5659 5.82609 -173.161 5.78019 4.12404 -34.5712 -230.66 19.1818 27.8239 PRESSAVG: 1072800 -59.7256 40.1609 -31.7793 40.1609 16.7906 8.04269 -31.7795 8.04264 31.6945 GPRESSAVG: 1072800 -59.4655 40.816 -29.7701 39.8763 16.1529 9.99655 -34.0056 7.91708 32.4874 TIMING: 1072800 CPU: 3108.66, 0.00290758/step Wall: 3108.66, 0.00290758/step, 3.17184 hours remaining, 207.113281 MB of memory in use. ENERGY: 1072800 714.9437 2053.3911 1952.8141 119.6639 -205831.0193 17687.3952 0.0000 0.0000 34194.1718 -149108.6396 298.6262 -183302.8114 -149013.4548 299.7604 -35.6561 2.7940 557726.0280 -3.7468 -3.6084 PRESSURE: 1073000 -313.818 -145.24 47.0717 -145.24 -6.71086 36.345 47.0718 36.3441 197.695 GPRESSURE: 1073000 -251.513 -133.255 64.8566 -151.699 16.1835 39.3469 52.4414 24.6988 201.434 PRESSAVG: 1073000 -7.85808 -38.8736 -16.122 -38.8735 10.6216 19.2312 -16.1221 19.2311 38.7835 GPRESSAVG: 1073000 -6.66488 -37.705 -16.6222 -39.6017 10.3991 17.6491 -17.6005 19.209 37.7056 TIMING: 1073000 CPU: 3109.23, 0.00287441/step Wall: 3109.23, 0.00287441/step, 3.1355 hours remaining, 207.167969 MB of memory in use. ENERGY: 1073000 699.5613 2038.7354 1945.0903 121.4675 -205707.5281 17577.3687 0.0000 0.0000 34168.8570 -149156.4478 298.4051 -183325.3048 -149064.0162 299.3299 -40.9445 -11.2983 557848.5758 13.8490 13.8133 PRESSURE: 1073200 467.143 -151.075 -152.331 -151.076 130.229 129.957 -152.331 129.958 109.675 GPRESSURE: 1073200 469.53 -49.1239 -105.271 -67.8789 187.058 133.802 -165.937 154.777 157.053 PRESSAVG: 1073200 -12.8643 -37.8802 -6.01981 -37.8803 -1.96016 58.3567 -6.0198 58.3567 23.4296 GPRESSAVG: 1073200 -13.5842 -39.3231 -8.6793 -35.3813 -1.62101 58.4229 -3.42005 59.4063 23.9887 TIMING: 1073200 CPU: 3109.81, 0.00288361/step Wall: 3109.81, 0.00288361/step, 3.14538 hours remaining, 207.167969 MB of memory in use. ENERGY: 1073200 738.7746 2093.6835 1938.6830 102.1527 -206614.5700 18216.5091 0.0000 0.0000 34471.8352 -149052.9318 301.0511 -183524.7670 -148952.2662 299.3924 235.6824 271.2139 557517.6696 2.8684 2.9278 PRESSURE: 1073400 -39.9686 164.561 106.425 164.56 64.4194 -55.9376 106.424 -55.9376 -104.556 GPRESSURE: 1073400 -43.0311 156.754 78.855 122.032 120.621 -4.70969 142.283 -79.4992 -46.3629 PRESSAVG: 1073400 -19.0619 -49.6827 -17.6185 -49.6828 33.3148 49.4907 -17.6187 49.4907 28.441 GPRESSAVG: 1073400 -19.5182 -48.3484 -16.484 -50.4133 33.7391 51.7036 -19.8232 48.4734 28.6941 TIMING: 1073400 CPU: 3110.39, 0.00288879/step Wall: 3110.39, 0.00288879/step, 3.15087 hours remaining, 207.167969 MB of memory in use. ENERGY: 1073400 754.7110 2086.4313 1954.1032 103.4393 -206012.8512 17762.9830 0.0000 0.0000 34365.5254 -148985.6580 300.1227 -183351.1834 -148885.9230 300.2615 -26.7017 10.4091 557273.2348 14.2313 14.3050 PRESSURE: 1073600 1.44248 -43.502 32.6868 -43.5021 195.29 -128.225 32.6875 -128.226 -76.6879 GPRESSURE: 1073600 3.52396 -78.0377 -10.9322 12.5669 268.574 -142.364 44.1475 -92.5803 -47.8646 PRESSAVG: 1073600 50.1784 -36.2187 40.5775 -36.2186 31.933 17.2385 40.5775 17.2386 -69.0041 GPRESSAVG: 1073600 49.781 -39.3358 41.2951 -34.8241 31.3421 16.8438 40.1449 16.7815 -68.2234 TIMING: 1073600 CPU: 3110.97, 0.0029061/step Wall: 3110.97, 0.0029061/step, 3.16959 hours remaining, 207.167969 MB of memory in use. ENERGY: 1073600 786.5486 2127.7704 1926.8983 126.3886 -206111.0173 17927.2512 0.0000 0.0000 34231.4881 -148984.6722 298.9521 -183216.1602 -148894.3199 300.3977 40.0148 74.7444 557553.7808 4.3691 4.2999 PRESSURE: 1073800 -206.673 30.7273 -33.1552 30.7262 -102.008 82.0941 -33.1563 82.0945 -124.623 GPRESSURE: 1073800 -194.039 48.5401 -80.1725 9.25205 -37.5408 12.4607 -57.8384 161.448 -95.3303 PRESSAVG: 1073800 -24.1391 -30.1894 -40.1698 -30.1895 12.3826 -3.64354 -40.1698 -3.64362 -3.50946 GPRESSAVG: 1073800 -23.6665 -28.3532 -38.547 -34.3215 12.7279 -2.27572 -39.9765 -5.55194 -3.95579 TIMING: 1073800 CPU: 3111.54, 0.00287403/step Wall: 3111.54, 0.00287403/step, 3.13445 hours remaining, 207.167969 MB of memory in use. ENERGY: 1073800 785.6665 2114.2512 1932.6757 108.7865 -206210.2799 17818.2342 0.0000 0.0000 34393.5331 -149057.1328 300.3673 -183450.6659 -148960.1013 299.7921 -144.4348 -108.9699 558661.8883 -5.0886 -4.9648 PRESSURE: 1074000 120.296 -120.923 122.388 -120.923 104.248 65.0756 122.388 65.0756 141.825 GPRESSURE: 1074000 135.5 -74.6602 111.394 -113.744 135.836 84.2424 138.83 65.7338 190.331 PRESSAVG: 1074000 22.5946 -49.7849 -68.3908 -49.785 4.09366 -34.4662 -68.3908 -34.4662 -61.8325 GPRESSAVG: 1074000 22.6208 -48.732 -69.1232 -48.2455 6.04545 -35.9782 -67.2628 -32.003 -62.4978 TIMING: 1074000 CPU: 3112.12, 0.00288796/step Wall: 3112.12, 0.00288796/step, 3.14948 hours remaining, 207.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1074000 733.0829 2125.7321 1949.3895 117.6353 -206356.4904 17948.6484 0.0000 0.0000 34494.7501 -148987.2521 301.2512 -183482.0022 -148891.7723 300.5490 122.1230 153.8887 557588.6715 -11.7147 -11.2772 PRESSURE: 1074200 -68.4744 22.2689 -32.9053 22.2675 51.8589 137.338 -32.9066 137.336 -134.671 GPRESSURE: 1074200 -84.4476 39.6491 -4.45746 91.7392 99.1965 97.9554 -18.3905 119.916 -79.4035 PRESSAVG: 1074200 -2.72015 5.47459 4.85319 5.47465 54.2752 -10.4267 4.85319 -10.4267 -37.3709 GPRESSAVG: 1074200 -1.15667 3.65233 5.7384 7.53447 51.0682 -10.0112 3.84733 -11.8847 -35.8539 TIMING: 1074200 CPU: 3112.7, 0.00290997/step Wall: 3112.7, 0.00290997/step, 3.17332 hours remaining, 207.167969 MB of memory in use. ENERGY: 1074200 795.0193 2011.7441 1960.2229 118.3920 -205918.8566 17905.7384 0.0000 0.0000 34257.6063 -148870.1337 299.1802 -183127.7400 -148766.2444 300.4960 -50.4287 -21.5515 557940.8551 4.7280 4.6859 PRESSURE: 1074400 -156.146 146.078 -118.543 146.079 156.225 -62.2042 -118.542 -62.2034 1.25514 GPRESSURE: 1074400 -98.4496 125.125 -118.255 40.5737 145.794 41.3828 -115.462 -88.3889 69.008 PRESSAVG: 1074400 -71.458 -6.84411 5.53684 -6.84408 16.8455 42.0198 5.53679 42.0198 32.9707 GPRESSAVG: 1074400 -72.8435 -8.44643 4.97937 -7.66206 18.7188 40.5695 3.77905 43.0712 32.6677 TIMING: 1074400 CPU: 3113.28, 0.00288407/step Wall: 3113.28, 0.00288407/step, 3.14492 hours remaining, 207.167969 MB of memory in use. ENERGY: 1074400 812.2227 2105.3055 1971.6411 110.7871 -206011.1167 17804.4471 0.0000 0.0000 34528.1342 -148678.5791 301.5428 -183206.7133 -148587.2400 300.3000 0.4447 38.7840 558636.9862 -7.2139 -7.1523 PRESSURE: 1074600 -162.963 25.9472 178.838 25.9474 -117.622 158.837 178.839 158.836 -258.185 GPRESSURE: 1074600 -115.204 8.38803 199.205 14.6768 -108.433 233.926 178.632 124.722 -215.915 PRESSAVG: 1074600 -76.1862 8.14357 29.6203 8.14361 12.0006 -27.7563 29.6203 -27.7561 45.7958 GPRESSAVG: 1074600 -75.404 11.0247 28.8448 8.55494 11.9452 -26.2858 32.1043 -27.9502 45.0245 TIMING: 1074600 CPU: 3113.86, 0.00291986/step Wall: 3113.86, 0.00291986/step, 3.18378 hours remaining, 207.167969 MB of memory in use. ENERGY: 1074600 762.5157 2098.9127 1981.2063 113.9712 -205532.6085 17451.3121 0.0000 0.0000 34254.7064 -148869.9841 299.1549 -183124.6905 -148778.5892 299.9304 -179.5898 -146.5170 559415.8097 -6.1299 -6.1448 PRESSURE: 1074800 -165.946 4.64884 -78.3438 4.64855 -65.0602 62.932 -78.344 62.9308 206.805 GPRESSURE: 1074800 -147.928 -19.9819 -97.1334 18.697 -31.3859 36.7675 -21.289 77.6003 256.493 PRESSAVG: 1074800 5.0382 -23.8291 -12.4713 -23.8289 -84.4922 3.86991 -12.4714 3.86991 95.0434 GPRESSAVG: 1074800 4.15029 -24.9122 -13.0416 -23.6341 -83.9806 2.35854 -11.3907 4.65372 95.8068 TIMING: 1074800 CPU: 3114.44, 0.00290596/step Wall: 3114.44, 0.00290596/step, 3.16847 hours remaining, 207.167969 MB of memory in use. ENERGY: 1074800 758.0428 2074.2121 1952.1639 116.0153 -205744.6749 17750.1036 0.0000 0.0000 34025.6235 -149068.5137 297.1542 -183094.1372 -148974.6577 299.6824 -8.0669 25.7263 559277.8634 5.1965 5.3255 PRESSURE: 1075000 -81.69 59.6852 -81.8482 59.685 -235.17 -140.386 -81.8477 -140.388 -134.574 GPRESSURE: 1075000 -48.0246 59.9247 -71.6067 -85.6632 -234.834 -112.572 -66.8122 -139.935 -69.3228 PRESSAVG: 1075000 4.19248 -8.75151 -44.9855 -8.75143 -39.2257 21.5547 -44.9855 21.5547 1.46245 GPRESSAVG: 1075000 4.80765 -8.9737 -43.2223 -10.9822 -40.8169 23.4583 -47.786 20.219 2.04652 TIMING: 1075000 CPU: 3115.03, 0.0029245/step Wall: 3115.03, 0.0029245/step, 3.18851 hours remaining, 207.167969 MB of memory in use. ENERGY: 1075000 780.5250 2053.7265 1935.7603 112.7417 -206198.9112 17764.6808 0.0000 0.0000 34279.7681 -149271.7088 299.3737 -183551.4769 -149172.1233 298.7203 -150.4782 -117.3937 558439.5389 -11.1902 -11.3209 PRESSURE: 1075200 -210.921 87.7171 155.03 87.718 -257.009 -19.1995 155.028 -19.1995 -48.8018 GPRESSURE: 1075200 -226.751 51.783 197.626 142.608 -169.878 -105.42 84.6622 16.2677 -22.0723 PRESSAVG: 1075200 22.9731 22.6927 -16.5769 22.6927 -23.9429 -41.8829 -16.5769 -41.8829 7.66075 GPRESSAVG: 1075200 22.9155 21.8902 -15.7463 23.6639 -23.2854 -43.6088 -14.9101 -42.1064 7.13166 TIMING: 1075200 CPU: 3115.61, 0.00290048/step Wall: 3115.61, 0.00290048/step, 3.16217 hours remaining, 207.167969 MB of memory in use. ENERGY: 1075200 723.7180 2134.5308 1955.9832 107.8513 -205810.4448 17553.3401 0.0000 0.0000 33915.2659 -149419.7554 296.1905 -183335.0213 -149316.7859 298.0269 -172.2439 -139.5670 558759.1515 2.2303 2.2539 PRESSURE: 1075400 -186.433 155.82 78.2623 155.819 -22.2111 -25.136 78.263 -25.1368 -256.23 GPRESSURE: 1075400 -172.992 201.563 63.4171 189.327 54.6637 -96.8133 30.4388 -15.9119 -244.099 PRESSAVG: 1075400 -44.2369 37.6587 60.4959 37.6585 39.5918 -89.4046 60.4959 -89.4046 -18.1939 GPRESSAVG: 1075400 -44.2954 39.9647 59.4705 38.625 39.7609 -86.331 60.9166 -89.1367 -18.694 TIMING: 1075400 CPU: 3116.19, 0.00292201/step Wall: 3116.19, 0.00292201/step, 3.18548 hours remaining, 207.167969 MB of memory in use. ENERGY: 1075400 762.3290 2034.4319 1963.7661 117.1156 -206239.4664 17737.2664 0.0000 0.0000 34209.8812 -149414.6762 298.7634 -183624.5575 -149315.6103 298.4713 -154.9580 -120.8089 558879.4588 -7.6130 -7.7428 PRESSURE: 1075600 -89.5962 43.486 37.6631 43.4857 -72.1179 -4.15409 37.6624 -4.15483 -139.71 GPRESSURE: 1075600 -21.9081 -55.0716 -46.078 118.875 -92.4999 15.1253 68.0829 21.1787 -82.0964 PRESSAVG: 1075600 -15.4056 -24.5083 -9.50064 -24.5083 20.2937 -15.0608 -9.50049 -15.0608 -14.0319 GPRESSAVG: 1075600 -15.556 -25.0202 -11.3277 -25.8776 20.6896 -16.0883 -10.0459 -15.3516 -14.3436 TIMING: 1075600 CPU: 3116.77, 0.00288779/step Wall: 3116.77, 0.00288779/step, 3.14802 hours remaining, 207.167969 MB of memory in use. ENERGY: 1075600 698.9117 2113.1760 1945.2564 109.7316 -206281.8355 17659.2568 0.0000 0.0000 34361.5965 -149393.9066 300.0884 -183755.5031 -149299.1774 298.4141 -100.4747 -65.5015 558110.9007 -3.0479 -3.0700 PRESSURE: 1075800 -262.732 180.838 -222.394 180.839 88.0828 -121.591 -222.394 -121.59 -175.599 GPRESSURE: 1075800 -214.079 209.659 -164.622 315.927 108.034 -44.3986 -244.657 -106.584 -141.72 PRESSAVG: 1075800 -31.8609 39.7948 -22.3267 39.7947 22.0989 31.0659 -22.3268 31.0659 -5.09872 GPRESSAVG: 1075800 -32.5056 40.2281 -19.492 41.6376 20.6947 29.1236 -24.111 32.1216 -2.93164 TIMING: 1075800 CPU: 3117.35, 0.00290283/step Wall: 3117.35, 0.00290283/step, 3.16424 hours remaining, 207.167969 MB of memory in use. ENERGY: 1075800 711.5371 2066.0497 1931.3465 111.6241 -206158.1969 17542.9852 0.0000 0.0000 34126.5203 -149668.1341 298.0354 -183794.6544 -149565.8863 298.3079 -116.7496 -82.5884 558593.0208 -4.9536 -4.9142 PRESSURE: 1076000 -123.97 -69.7637 30.9885 -69.7631 -192.037 158.869 30.989 158.869 -54.1427 GPRESSURE: 1076000 -82.1985 -164.768 -27.5292 2.97376 -129.226 143.976 89.5685 211.454 -69.7294 PRESSAVG: 1076000 -4.20797 41.8148 -39.2404 41.8148 -17.4448 24.6695 -39.2403 24.6695 0.549403 GPRESSAVG: 1076000 -4.74703 40.3287 -41.6213 43.3015 -16.2504 25.4067 -37.722 25.5328 0.275496 TIMING: 1076000 CPU: 3117.93, 0.00290674/step Wall: 3117.93, 0.00290674/step, 3.16835 hours remaining, 207.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1076000 762.5366 2127.0210 1941.6896 101.4651 -206529.7247 17820.4493 0.0000 0.0000 34162.3577 -149614.2053 298.3484 -183776.5630 -149518.0238 297.8773 -123.3830 -93.7179 558385.5540 -7.0345 -6.9073 PRESSURE: 1076200 -44.2082 -235.945 106.602 -235.945 231.677 153.174 106.603 153.175 15.1796 GPRESSURE: 1076200 14.7075 -142.35 150.69 -220.401 265.869 146.951 71.1812 68.8385 16.1555 PRESSAVG: 1076200 22.0889 -8.88528 25.5691 -8.88521 -2.28124 11.6919 25.5692 11.6919 -24.7977 GPRESSAVG: 1076200 22.9341 -7.93061 25.348 -12.2376 -2.24575 13.2373 26.8647 8.77577 -25.6183 TIMING: 1076200 CPU: 3118.51, 0.00291086/step Wall: 3118.51, 0.00291086/step, 3.17268 hours remaining, 207.167969 MB of memory in use. ENERGY: 1076200 754.8446 2050.3809 1949.9102 102.9037 -206379.6188 17933.1181 0.0000 0.0000 34221.1444 -149367.3169 298.8618 -183588.4613 -149273.9401 298.1867 67.5494 98.9105 558697.6798 -1.6633 -1.6433 LDB: ============= START OF LOAD BALANCING ============== 3121.9 LDB: ============== END OF LOAD BALANCING =============== 3121.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3121.9 LDB: ============= START OF LOAD BALANCING ============== 3122.19 LDB: Largest compute 4820 load 0.024939 is 21.1% of average load 0.117939 LDB: Average compute 0.001707 is 1.4% of average load 0.117939 LDB: TIME 3122.2 LOAD: AVG 0.117939 MAX 0.183522 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.094 MB LDB: TIME 3122.2 LOAD: AVG 0.117939 MAX 0.183522 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.133 MB LDB: TIME 3122.2 LOAD: AVG 0.117939 MAX 0.183522 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.133 MB LDB: ============== END OF LOAD BALANCING =============== 3122.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3122.2 PRESSURE: 1076400 -278.823 84.6583 89.8301 84.6589 103.256 93.5929 89.8301 93.5932 -202.21 GPRESSURE: 1076400 -211.343 52.9247 95.0496 207.554 119.314 114.077 20.8326 121.119 -176.327 PRESSAVG: 1076400 24.1817 33.5148 17.1963 33.5149 1.11331 35.9277 17.1963 35.9278 -36.4077 GPRESSAVG: 1076400 23.9572 32.0942 19.4873 37.2927 -0.498562 33.7078 16.0104 37.7362 -34.2997 TIMING: 1076400 CPU: 3119.11, 0.00296162/step Wall: 3119.11, 0.00296162/step, 3.22784 hours remaining, 206.542969 MB of memory in use. ENERGY: 1076400 749.6833 2061.6813 1917.8749 105.6744 -206063.5805 17751.9655 0.0000 0.0000 34061.3843 -149415.3168 297.4665 -183476.7011 -149321.2852 299.0007 -125.9256 -89.4522 558110.2477 -3.7042 -3.6137 PRESSURE: 1076600 30.8384 0.492849 63.9948 0.49193 204.769 -138.706 63.9973 -138.706 -147.654 GPRESSURE: 1076600 114.373 0.0409228 39.7825 -26.7677 188.27 -107.635 26.4436 -124.237 -113.613 PRESSAVG: 1076600 -37.3433 -3.75946 45.067 -3.75951 23.382 -9.53077 45.067 -9.53077 11.2603 GPRESSAVG: 1076600 -35.9524 -2.21725 43.0042 -5.06233 23.7698 -8.79369 43.572 -8.41847 9.8018 TIMING: 1076600 CPU: 3119.69, 0.00290916/step Wall: 3119.69, 0.00290916/step, 3.1705 hours remaining, 206.746094 MB of memory in use. ENERGY: 1076600 717.6993 2076.8876 1931.3674 107.8643 -206450.4921 17984.2696 0.0000 0.0000 34308.4004 -149324.0036 299.6238 -183632.4040 -149221.6804 298.8102 29.3175 63.0100 558596.9089 -0.9003 -0.7936 PRESSURE: 1076800 -272.095 65.9897 35.9298 65.9896 -5.44466 -96.7579 35.9291 -96.7579 -63.6951 GPRESSURE: 1076800 -198.977 63.0063 54.0689 -10.0644 2.77418 -161.999 54.8089 -112.393 -53.3018 PRESSAVG: 1076800 50.7667 38.922 31.8265 38.922 28.273 15.0009 31.8265 15.0009 -94.2985 GPRESSAVG: 1076800 50.569 37.028 32.8876 37.5417 27.4758 15.2355 33.5975 13.8735 -94.3035 TIMING: 1076800 CPU: 3120.27, 0.00289084/step Wall: 3120.27, 0.00289084/step, 3.15037 hours remaining, 206.746094 MB of memory in use. ENERGY: 1076800 748.5212 2079.6201 1940.7159 109.5332 -205924.3119 17643.3080 0.0000 0.0000 34259.8808 -149142.7326 299.2001 -183402.6135 -149045.7819 299.0161 -113.7450 -83.1683 558427.7311 -5.0863 -5.4195 PRESSURE: 1077000 -271.104 -121.568 55.5959 -121.568 156.84 0.394179 55.5968 0.394821 62.8534 GPRESSURE: 1077000 -221.314 -46.2934 36.0529 -145.235 203.074 -51.4225 114.204 -80.801 68.2868 PRESSAVG: 1077000 -6.24194 -4.76864 1.22721 -4.76863 15.7215 17.0601 1.22725 17.0601 -10.5923 GPRESSAVG: 1077000 -7.3173 -1.77726 1.34477 -6.08617 17.7986 17.7038 0.533484 16.3546 -11.7566 TIMING: 1077000 CPU: 3120.84, 0.00287882/step Wall: 3120.84, 0.00287882/step, 3.13711 hours remaining, 206.746094 MB of memory in use. ENERGY: 1077000 751.1266 2090.5490 1922.9634 108.0432 -206062.5625 17707.5146 0.0000 0.0000 34426.6339 -149055.7318 300.6564 -183482.3657 -148962.6339 299.1257 -17.1368 16.6822 558750.6807 -0.3709 -0.4251 PRESSURE: 1077200 -101.476 -61.2116 12.0463 -61.2116 -27.9391 96.2956 12.0467 96.296 -411.055 GPRESSURE: 1077200 -55.7069 -12.1654 58.4352 -110.73 -43.6939 147.142 -61.4176 55.8866 -331.989 PRESSAVG: 1077200 32.1472 -40.0368 5.70511 -40.0369 -58.2618 -23.8902 5.70518 -23.8901 30.0847 GPRESSAVG: 1077200 31.126 -40.5251 4.55405 -39.7441 -58.2963 -24.1086 6.74863 -23.9511 30.7179 TIMING: 1077200 CPU: 3121.42, 0.00288448/step Wall: 3121.42, 0.00288448/step, 3.14312 hours remaining, 206.781250 MB of memory in use. ENERGY: 1077200 735.3462 2098.6852 1946.5386 114.3378 -205795.6817 17539.7615 0.0000 0.0000 34299.2850 -149061.7274 299.5442 -183361.0125 -148971.1696 299.1608 -180.1568 -143.7966 557707.8461 1.3234 1.1825 PRESSURE: 1077400 88.0145 54.3297 75.0686 54.3301 142.775 -255.759 75.0691 -255.76 -209.389 GPRESSURE: 1077400 59.2013 -7.78457 56.7288 88.5465 215.191 -273.695 56.3544 -258.051 -151.35 PRESSAVG: 1077400 0.640175 12.9464 9.51581 12.9466 1.70922 -37.0358 9.51575 -37.0358 -10.1044 GPRESSAVG: 1077400 1.53983 10.9104 11.8595 14.3295 0.344536 -37.0399 9.35635 -36.981 -9.59566 TIMING: 1077400 CPU: 3122, 0.00289813/step Wall: 3122, 0.00289813/step, 3.15784 hours remaining, 206.781250 MB of memory in use. ENERGY: 1077400 758.4852 1999.0285 1962.1081 116.9137 -206160.2493 17865.4787 0.0000 0.0000 34148.7471 -149309.4880 298.2295 -183458.2351 -149212.7930 298.8472 7.1335 41.0140 557671.8775 -2.5850 -2.5704 PRESSURE: 1077600 206.286 178.229 -64.4212 178.228 -121.184 108.517 -64.4211 108.52 -111.951 GPRESSURE: 1077600 205.201 230.037 -10.5392 171.514 -55.6689 204.38 -80.1937 40.0475 -81.7554 PRESSAVG: 1077600 -12.1847 37.2198 38.5889 37.2197 40.9097 44.835 38.5888 44.835 -30.6607 GPRESSAVG: 1077600 -12.431 38.9911 39.5133 36.2822 42.8963 42.6629 37.5557 46.2529 -32.7362 TIMING: 1077600 CPU: 3122.58, 0.00288459/step Wall: 3122.58, 0.00288459/step, 3.14292 hours remaining, 206.781250 MB of memory in use. ENERGY: 1077600 754.7673 2103.8000 1919.1292 112.4959 -206067.2224 17722.1452 0.0000 0.0000 34190.4967 -149264.3881 298.5941 -183454.8849 -149171.2122 299.2171 -8.9495 22.5924 557656.3431 -0.6452 -0.7569 PRESSURE: 1077800 42.9515 55.8146 -93.7615 55.8145 234.3 35.2554 -93.7619 35.2565 -71.1073 GPRESSURE: 1077800 100.96 105.804 -86.4277 11.3344 261.354 94.1837 -88.6164 27.1054 -53.1399 PRESSAVG: 1077800 -19.9737 30.0361 -24.8453 30.0362 1.68416 -41.756 -24.8453 -41.756 26.1296 GPRESSAVG: 1077800 -19.614 30.5062 -27.032 28.8953 -0.551318 -38.3361 -23.7355 -44.3093 28.0419 TIMING: 1077800 CPU: 3123.15, 0.00287391/step Wall: 3123.15, 0.00287391/step, 3.13112 hours remaining, 206.781250 MB of memory in use. ENERGY: 1077800 758.7411 2132.1745 1956.3762 118.3963 -206499.6707 18043.9261 0.0000 0.0000 34265.3925 -149224.6640 299.2482 -183490.0565 -149132.9289 299.9924 68.7148 103.0580 557291.7513 2.6134 2.6255 PRESSURE: 1078000 114.156 -44.7041 9.7087 -44.7046 38.2824 -27.6317 9.70931 -27.631 36.5732 GPRESSURE: 1078000 176.749 -48.8678 -14.4145 -27.1275 18.5657 -100.714 4.78894 -27.6478 88.268 PRESSAVG: 1078000 -2.77492 -25.4636 29.5675 -25.4637 29.61 -33.1029 29.5675 -33.1029 -22.5503 GPRESSAVG: 1078000 -3.65567 -26.7412 28.6533 -21.8975 30.0796 -33.401 28.4542 -30.8354 -22.3589 TIMING: 1078000 CPU: 3123.73, 0.00288191/step Wall: 3123.73, 0.00288191/step, 3.13968 hours remaining, 206.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1078000 726.8742 2109.1795 1959.3460 116.9551 -206448.9591 17906.1274 0.0000 0.0000 34441.4777 -149188.9991 300.7860 -183630.4768 -149088.9003 299.1639 63.0038 94.5275 557957.0605 1.4283 1.3550 PRESSURE: 1078200 -70.5005 -28.19 75.9519 -28.1906 69.6016 99.0499 75.9536 99.0495 -91.8638 GPRESSURE: 1078200 -69.7014 -6.83062 127.933 -24.8342 111.564 144.066 -25.9892 12.8426 -45.1962 PRESSAVG: 1078200 40.3177 -21.3102 -48.6459 -21.3101 -51.9059 -21.5805 -48.6458 -21.5804 40.792 GPRESSAVG: 1078200 40.2957 -21.2955 -48.2334 -22.5937 -52.4285 -23.1939 -47.0123 -22.2478 41.1859 TIMING: 1078200 CPU: 3124.31, 0.00291359/step Wall: 3124.31, 0.0029136/step, 3.17404 hours remaining, 206.781250 MB of memory in use. ENERGY: 1078200 761.1809 2109.9533 1941.1708 101.5616 -206333.5268 17854.0418 0.0000 0.0000 34340.2215 -149225.3968 299.9017 -183565.6184 -149137.7423 299.8024 -30.9209 -1.1111 558866.4844 9.7346 9.6844 PRESSURE: 1078400 -44.8311 106.918 26.5885 106.92 32.6673 -18.0861 26.5878 -18.0868 -88.983 GPRESSURE: 1078400 8.43433 54.1989 88.3631 133.794 71.9616 -37.826 92.4992 17.7787 -73.7444 PRESSAVG: 1078400 66.5587 -37.7619 8.38678 -37.7621 -48.2118 -21.1216 8.38677 -21.1216 14.2302 GPRESSAVG: 1078400 66.3575 -38.0367 7.5249 -38.1824 -47.025 -21.3055 8.93157 -21.3933 13.7329 TIMING: 1078400 CPU: 3124.89, 0.0028829/step Wall: 3124.89, 0.0028829/step, 3.14044 hours remaining, 206.781250 MB of memory in use. ENERGY: 1078400 743.7539 2063.1342 1961.4445 103.7019 -206241.8727 17830.0031 0.0000 0.0000 34295.0163 -149244.8189 299.5069 -183539.8352 -149149.5304 299.1963 -33.7156 2.2172 557433.5598 10.8591 11.0218 PRESSURE: 1078600 330.638 -171.354 116.633 -171.354 63.8716 -47.011 116.633 -47.0112 268.533 GPRESSURE: 1078600 349.912 -233.699 199.452 -156.42 118.069 -95.6069 114.987 38.9302 295.612 PRESSAVG: 1078600 18.3202 -40.1092 3.72084 -40.1092 11.2135 -26.2334 3.72083 -26.2334 -20.7722 GPRESSAVG: 1078600 18.5679 -38.7304 4.95716 -39.6096 11.6738 -25.9374 3.31804 -26.3244 -21.1957 TIMING: 1078600 CPU: 3125.46, 0.00287664/step Wall: 3125.46, 0.00287664/step, 3.13346 hours remaining, 206.781250 MB of memory in use. ENERGY: 1078600 743.6648 2069.4490 1957.2845 114.4255 -206386.1731 18140.8899 0.0000 0.0000 34329.4617 -149030.9978 299.8077 -183360.4595 -148934.7616 299.8199 221.0143 254.5310 557685.4127 2.9205 3.0153 PRESSURE: 1078800 102.334 9.83898 -94.0607 9.83867 12.0972 -158.619 -94.0601 -158.619 56.0067 GPRESSURE: 1078800 161.017 -8.14337 -48.8502 30.674 39.6661 -180.119 -145.636 -53.0864 60.3987 PRESSAVG: 1078800 60.071 -63.0126 -6.85643 -63.0126 5.67973 0.918604 -6.85646 0.918588 -51.1459 GPRESSAVG: 1078800 59.9828 -63.6563 -5.71618 -62.7869 5.83348 2.30996 -8.21939 -0.841274 -51.0838 TIMING: 1078800 CPU: 3126.04, 0.00288542/step Wall: 3126.04, 0.00288542/step, 3.14287 hours remaining, 206.781250 MB of memory in use. ENERGY: 1078800 732.9889 2069.5123 1978.4601 117.2658 -206077.9830 17912.2887 0.0000 0.0000 34313.7266 -148953.7405 299.6703 -183267.4671 -148852.3825 300.3207 56.8126 87.0272 557976.6634 4.8683 4.9108 PRESSURE: 1079000 -218.667 -91.1406 64.9054 -91.1398 -25.565 -61.3991 64.9049 -61.3982 -142.779 GPRESSURE: 1079000 -136.081 -52.5054 71.9777 -97.7572 -11.9206 -46.0977 -32.6413 -72.8764 -140.202 PRESSAVG: 1079000 43.1087 -81.9947 -8.72369 -81.9946 -36.8898 -14.1601 -8.72373 -14.16 13.7563 GPRESSAVG: 1079000 43.0803 -83.3841 -9.18045 -81.8096 -37.9633 -15.841 -9.65569 -13.3539 14.6223 TIMING: 1079000 CPU: 3126.62, 0.00290737/step Wall: 3126.62, 0.00290737/step, 3.16661 hours remaining, 206.781250 MB of memory in use. ENERGY: 1079000 749.3486 2126.0055 1958.3402 118.3177 -205972.0458 17766.4723 0.0000 0.0000 34348.4908 -148905.0706 299.9739 -183253.5614 -148809.8963 300.3529 -129.0036 -96.0678 559210.4136 6.6584 6.5798 PRESSURE: 1079200 -7.37585 -11.7393 83.5454 -11.7392 -0.0371983 -144.609 83.5462 -144.608 -29.2006 GPRESSURE: 1079200 55.9162 -26.6895 4.68407 131.847 29.6994 -174.736 91.417 -208.538 -20.4001 PRESSAVG: 1079200 0.706007 0.613547 30.4377 0.613502 0.338559 -19.6146 30.4378 -19.6144 47.9112 GPRESSAVG: 1079200 1.63275 1.4744 30.707 0.964879 -0.317108 -20.1109 30.8053 -19.3006 48.0498 TIMING: 1079200 CPU: 3127.2, 0.00289706/step Wall: 3127.2, 0.00289706/step, 3.15522 hours remaining, 206.781250 MB of memory in use. ENERGY: 1079200 765.6291 2103.2129 1993.6075 111.3777 -206470.0611 18065.7748 0.0000 0.0000 34491.9301 -148938.5290 301.2266 -183430.4591 -148842.5890 300.4233 -12.2045 21.7385 558571.9364 16.3186 16.4551 PRESSURE: 1079400 160.154 -141.771 -24.3861 -141.773 135.841 -25.3799 -24.3853 -25.3806 167.344 GPRESSURE: 1079400 226.251 -107.847 -153.333 -137.976 95.7195 54.9047 9.87274 -98.6816 233.444 PRESSAVG: 1079400 -13.1792 -29.5364 27.1325 -29.5364 -5.32518 -34.7608 27.1326 -34.7607 46.7165 GPRESSAVG: 1079400 -14.4569 -29.2555 26.2185 -29.358 -4.89664 -33.1988 27.5698 -35.2193 47.8522 TIMING: 1079400 CPU: 3127.78, 0.00289168/step Wall: 3127.78, 0.00289168/step, 3.1492 hours remaining, 206.781250 MB of memory in use. ENERGY: 1079400 783.0936 2139.3753 1934.9013 103.5349 -206491.5742 18142.7849 0.0000 0.0000 34317.5871 -149070.2972 299.7040 -183387.8843 -148979.5134 300.3601 154.4462 185.1382 557357.8582 9.4040 9.4995 PRESSURE: 1079600 -42.9683 -81.8771 -262.8 -81.8761 91.6959 39.1826 -262.8 39.1825 110.604 GPRESSURE: 1079600 33.5395 -111.822 -246.352 -72.9792 98.5343 58.4739 -290.551 84.1528 125.562 PRESSAVG: 1079600 57.1213 -58.8076 -27.2776 -58.8077 -49.3458 -1.19184 -27.2777 -1.19186 15.3261 GPRESSAVG: 1079600 57.2853 -57.0076 -24.7417 -60.6057 -49.0216 -2.74705 -27.0666 -1.57151 14.2853 TIMING: 1079600 CPU: 3128.35, 0.00288357/step Wall: 3128.35, 0.00288357/step, 3.1402 hours remaining, 206.781250 MB of memory in use. ENERGY: 1079600 745.1649 2149.2365 1997.5098 121.9788 -206295.8456 17952.9306 0.0000 0.0000 34212.3631 -149116.6618 298.7851 -183329.0249 -149011.6649 299.4817 53.1105 85.8785 557667.2484 7.7005 7.5163 PRESSURE: 1079800 125.896 32.3518 -102.453 32.3499 -83.2154 -73.0615 -102.452 -73.0614 -67.7159 GPRESSURE: 1079800 168.6 68.124 -100.652 37.7924 -2.92743 -59.2048 -117.342 -56.7225 -85.6475 PRESSAVG: 1079800 77.2942 -22.1119 26.6838 -22.112 -19.0513 -27.4682 26.6838 -27.4681 -10.6999 GPRESSAVG: 1079800 77.0175 -22.1859 23.7695 -20.2721 -18.9915 -26.7 26.9975 -26.2275 -10.5431 TIMING: 1079800 CPU: 3128.93, 0.00288254/step Wall: 3128.93, 0.00288254/step, 3.13893 hours remaining, 206.781250 MB of memory in use. ENERGY: 1079800 805.0251 2159.0399 1967.1175 113.0623 -206273.8261 17878.7256 0.0000 0.0000 34194.4556 -149156.4000 298.6287 -183350.8556 -149064.7792 299.0608 -8.3449 26.6750 556822.1818 15.8477 15.8276 PRESSURE: 1080000 158.24 62.6526 -26.1858 62.6529 -297.888 -63.9242 -26.1852 -63.9254 -74.5463 GPRESSURE: 1080000 191.709 148.03 -26.6439 122.904 -304.576 15.5851 17.0462 -162.033 10.3293 PRESSAVG: 1080000 59.8317 61.5918 17.0181 61.5919 -85.2268 19.6074 17.0182 19.6074 8.12442 GPRESSAVG: 1080000 60.1624 60.8677 18.357 60.774 -85.7525 18.8994 18.2427 19.8532 8.31243 TIMING: 1080000 CPU: 3129.51, 0.00289482/step Wall: 3129.51, 0.00289482/step, 3.15213 hours remaining, 206.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1080000 804.8850 2089.0613 1950.6709 115.1382 -206125.7312 17789.4935 0.0000 0.0000 34486.8882 -148889.5941 301.1826 -183376.4823 -148796.5572 299.8628 -71.3982 -34.1790 558895.0097 -5.7569 -5.7592 PRESSURE: 1080200 -120.808 40.8337 -2.27495 40.8331 97.7156 111.265 -2.27488 111.266 -32.8274 GPRESSURE: 1080200 -98.2257 32.4184 118.988 89.1528 124.738 122.329 -66.8539 137.092 19.4561 PRESSAVG: 1080200 22.9061 63.4729 -17.4543 63.4728 -3.18124 33.4042 -17.4543 33.4042 -6.06901 GPRESSAVG: 1080200 22.475 61.7706 -17.0457 63.0113 -3.01476 35.0731 -18.2448 32.2248 -5.78324 TIMING: 1080200 CPU: 3130.09, 0.00289108/step Wall: 3130.09, 0.00289108/step, 3.1479 hours remaining, 206.781250 MB of memory in use. ENERGY: 1080200 740.7051 2091.3556 1973.3781 121.3264 -205867.9006 17687.8155 0.0000 0.0000 34403.4414 -148849.8784 300.4538 -183253.3198 -148759.9199 300.8910 -18.6399 15.3228 557438.2909 4.5519 4.5590 LDB: ============= START OF LOAD BALANCING ============== 3133.47 LDB: ============== END OF LOAD BALANCING =============== 3133.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3133.47 LDB: ============= START OF LOAD BALANCING ============== 3133.77 LDB: Largest compute 4822 load 0.027050 is 22.9% of average load 0.118018 LDB: Average compute 0.001712 is 1.5% of average load 0.118018 LDB: TIME 3133.77 LOAD: AVG 0.118018 MAX 0.184021 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.031 MB LDB: TIME 3133.77 LOAD: AVG 0.118018 MAX 0.184021 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.031 MB LDB: TIME 3133.77 LOAD: AVG 0.118018 MAX 0.184021 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.031 MB LDB: ============== END OF LOAD BALANCING =============== 3133.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3133.77 PRESSURE: 1080400 -130.737 13.1434 -29.4432 13.1434 -7.38374 49.3226 -29.4439 49.3219 -140.577 GPRESSURE: 1080400 -55.8712 83.1882 55.7564 -69.1716 12.0881 25.4866 -35.3892 53.5502 -134.334 PRESSAVG: 1080400 -52.9674 14.1564 -25.5335 14.1563 17.0179 40.0842 -25.5336 40.0842 -9.73366 GPRESSAVG: 1080400 -52.6545 16.2394 -25.6352 12.5736 16.0509 39.0099 -25.7844 42.2217 -9.7487 TIMING: 1080400 CPU: 3130.68, 0.00295375/step Wall: 3130.68, 0.00295375/step, 3.21598 hours remaining, 206.800781 MB of memory in use. ENERGY: 1080400 786.7761 2083.9232 1937.8059 105.1167 -205763.1236 17474.3564 0.0000 0.0000 34226.3495 -149148.7958 298.9072 -183375.1453 -149047.6057 299.8012 -92.8992 -59.3722 556952.8569 -15.2277 -15.4508 PRESSURE: 1080600 268.278 -193.789 -81.893 -193.788 -10.975 -28.7137 -81.894 -28.7129 -312.943 GPRESSURE: 1080600 227.098 -203.972 -137.601 -154.971 7.04793 -39.9567 -86.943 -67.6795 -195.129 PRESSAVG: 1080600 74.3384 -9.07598 3.21967 -9.07612 21.5887 28.3023 3.2196 28.3024 -39.1807 GPRESSAVG: 1080600 73.2689 -11.4034 2.86755 -6.56898 23.0168 30.4617 3.76187 26.2334 -39.1387 TIMING: 1080600 CPU: 3131.27, 0.00293669/step Wall: 3131.27, 0.00293669/step, 3.19724 hours remaining, 206.800781 MB of memory in use. ENERGY: 1080600 701.5305 2113.5052 1966.8194 116.2091 -206356.1348 17768.8123 0.0000 0.0000 34492.7068 -149196.5516 301.2334 -183689.2583 -149090.2498 299.9015 -18.5466 13.0057 554591.4748 18.9154 19.0490 PRESSURE: 1080800 81.3455 -101.451 52.4064 -101.451 -260.568 -188.936 52.407 -188.935 45.0325 GPRESSURE: 1080800 127.695 -41.4953 24.1467 -144.862 -242.399 -118.897 45.7358 -191.64 80.4785 PRESSAVG: 1080800 22.1167 -29.2464 -26.9342 -29.2464 26.942 -1.5281 -26.9341 -1.52815 -35.0505 GPRESSAVG: 1080800 22.8989 -27.0641 -25.827 -30.571 26.3011 -2.68302 -26.4735 -0.274686 -35.3085 TIMING: 1080800 CPU: 3131.85, 0.00292348/step Wall: 3131.85, 0.00292348/step, 3.18269 hours remaining, 207.039062 MB of memory in use. ENERGY: 1080800 762.6880 2059.5090 1974.7173 110.2906 -206229.1668 17768.4013 0.0000 0.0000 34420.9551 -149132.6056 300.6068 -183553.5607 -149031.0967 299.3012 -44.7301 -11.4085 555447.7361 4.6694 4.6305 PRESSURE: 1081000 154.728 -40.1579 241.813 -40.1586 -16.515 -106.504 241.813 -106.505 38.1096 GPRESSURE: 1081000 207.118 35.0253 261.061 -2.17466 -10.5551 -54.1052 274.458 -123.95 72.3661 PRESSAVG: 1081000 66.5345 -21.5339 83.4547 -21.534 -20.9033 -5.91202 83.4547 -5.91196 -29.5809 GPRESSAVG: 1081000 68.1628 -22.3625 83.3802 -19.3218 -22.1185 -4.79204 83.6399 -5.66035 -29.6615 TIMING: 1081000 CPU: 3132.43, 0.00290319/step Wall: 3132.43, 0.00290319/step, 3.16045 hours remaining, 207.039062 MB of memory in use. ENERGY: 1081000 739.2750 2142.5959 1931.0802 111.2528 -206322.5768 17906.7906 0.0000 0.0000 34304.8926 -149186.6897 299.5932 -183491.5823 -149090.2475 299.6717 58.7740 89.6429 555272.1967 5.3501 5.4610 PRESSURE: 1081200 377.613 -40.3379 98.0376 -40.3376 199.388 -112.045 98.0369 -112.045 96.3878 GPRESSURE: 1081200 421.12 -52.0797 58.0725 -85.7302 243.049 -146.353 173.533 -101.671 107.877 PRESSAVG: 1081200 73.3313 -41.5679 4.37797 -41.5678 -27.6826 -2.65618 4.37785 -2.65613 -7.79992 GPRESSAVG: 1081200 72.1069 -41.1142 6.48144 -42.9124 -27.0701 -3.95329 4.0947 -3.99492 -7.15852 TIMING: 1081200 CPU: 3133.01, 0.00290323/step Wall: 3133.01, 0.00290323/step, 3.16033 hours remaining, 207.039062 MB of memory in use. ENERGY: 1081200 722.9185 2086.0813 1952.0039 112.6805 -206578.2453 18130.3725 0.0000 0.0000 34321.1213 -149253.0674 299.7349 -183574.1886 -149163.8668 299.2761 224.4630 257.3488 557313.8471 12.6163 12.6261 PRESSURE: 1081400 117.097 86.3236 -75.6702 86.3232 -113.163 211.036 -75.6704 211.037 36.4368 GPRESSURE: 1081400 146.177 119.172 -78.2852 20.6574 -92.6128 144.511 -111.649 187.296 87.2289 PRESSAVG: 1081400 -0.750433 9.36139 32.909 9.36149 -11.5467 15.1528 32.909 15.1528 -60.0338 GPRESSAVG: 1081400 -0.33292 9.48275 31.3707 8.94695 -11.5578 16.3569 33.7359 16.419 -59.9255 TIMING: 1081400 CPU: 3133.59, 0.00289026/step Wall: 3133.59, 0.00289026/step, 3.14605 hours remaining, 207.039062 MB of memory in use. ENERGY: 1081400 750.8163 2092.7288 1940.4589 116.9562 -206174.9619 17922.1682 0.0000 0.0000 34151.2705 -149200.5631 298.2515 -183351.8336 -149119.6751 298.7014 13.4568 46.9311 558352.7743 -24.1103 -23.9387 PRESSURE: 1081600 156.009 -2.75855 2.13919 -2.75889 -116.262 -38.006 2.13766 -38.0057 -166.787 GPRESSURE: 1081600 149.157 42.0434 62.0234 -25.6307 -54.7188 -34.9162 -7.51044 -40.6029 -121.607 PRESSAVG: 1081600 -32.4547 19.3011 50.5175 19.3011 6.65847 14.232 50.5175 14.232 44.8628 GPRESSAVG: 1081600 -32.4952 19.2618 49.7855 18.0097 6.63979 13.4545 49.6285 14.8485 44.467 TIMING: 1081600 CPU: 3134.17, 0.00291119/step Wall: 3134.17, 0.00291119/step, 3.16867 hours remaining, 207.039062 MB of memory in use. ENERGY: 1081600 746.2216 2182.5663 1925.1855 125.4721 -206164.6303 17700.4308 0.0000 0.0000 34294.7834 -149189.9705 299.5049 -183484.7540 -149094.1177 299.3866 -42.3466 -9.0565 557296.6842 6.3555 6.2039 PRESSURE: 1081800 -210.93 20.3886 -65.152 20.3899 -328.527 67.3891 -65.1525 67.3872 11.2775 GPRESSURE: 1081800 -204.474 23.5719 -68.045 16.157 -267.934 1.86468 -29.2093 161.541 35.5979 PRESSAVG: 1081800 -44.5742 35.8548 -5.57809 35.8547 -27.8282 39.5619 -5.57806 39.5619 77.1786 GPRESSAVG: 1081800 -45.4202 36.5479 -5.16223 35.9782 -27.9525 38.9288 -5.9539 37.7585 78.2938 TIMING: 1081800 CPU: 3134.75, 0.00289016/step Wall: 3134.75, 0.00289016/step, 3.14562 hours remaining, 207.039062 MB of memory in use. ENERGY: 1081800 749.8305 2141.3463 1922.1698 111.1805 -205644.7316 17371.5767 0.0000 0.0000 34338.8160 -149009.8119 299.8894 -183348.6279 -148912.5661 299.4109 -176.0599 -145.6035 557530.0776 1.5921 1.6404 PRESSURE: 1082000 -300.089 147.468 45.0438 147.469 -100.913 -196.041 45.0436 -196.04 -154.408 GPRESSURE: 1082000 -246.704 152.881 130.442 115.342 -100.386 -165.003 -6.2627 -219.17 -108.275 PRESSAVG: 1082000 -10.6744 -12.0181 5.92766 -12.018 20.4331 57.7154 5.9277 57.7155 28.2121 GPRESSAVG: 1082000 -9.90631 -11.136 4.48838 -12.2719 20.0662 57.9819 6.46627 59.2217 27.5321 TIMING: 1082000 CPU: 3135.33, 0.0029149/step Wall: 3135.33, 0.0029149/step, 3.17238 hours remaining, 207.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1082000 784.5273 2088.3538 1941.1103 116.2287 -205530.9206 17426.7313 0.0000 0.0000 34159.6284 -149014.3407 298.3245 -183173.9691 -148912.9120 299.9578 -185.1367 -151.7879 557482.5855 12.6570 12.5640 PRESSURE: 1082200 114.935 25.7319 -119.463 25.7335 -40.8129 -19.8338 -119.464 -19.8336 -17.5073 GPRESSURE: 1082200 145.647 49.0895 -38.9952 -44.4369 4.5406 -3.82878 -126.252 -8.90272 3.24089 PRESSAVG: 1082200 -10.7133 -2.10308 -50.7739 -2.10305 -36.7581 -13.3052 -50.7739 -13.3051 9.9952 GPRESSAVG: 1082200 -10.5366 -3.36423 -49.5021 -1.50916 -36.879 -14.6329 -51.4773 -14.3007 10.0807 TIMING: 1082200 CPU: 3135.92, 0.00292607/step Wall: 3135.92, 0.00292607/step, 3.18438 hours remaining, 207.039062 MB of memory in use. ENERGY: 1082200 736.3874 2133.6638 1931.8309 122.7999 -206058.2009 17694.0912 0.0000 0.0000 34471.3284 -148968.0992 301.0467 -183439.4275 -148869.7302 299.2958 18.8715 51.1428 557345.3227 -12.4920 -12.4450 PRESSURE: 1082400 79.8825 -30.8391 -193.087 -30.8396 -176.6 -108.481 -193.088 -108.48 -59.411 GPRESSURE: 1082400 76.6516 -89.5284 -126.873 -31.963 -77.4982 -71.5478 -185.171 -191.192 -48.8442 PRESSAVG: 1082400 -2.84078 -19.7518 8.93868 -19.7518 -1.37853 -21.5332 8.9387 -21.5331 22.6489 GPRESSAVG: 1082400 -4.43804 -19.7236 8.40565 -19.5236 -0.729095 -21.2182 11.291 -21.5034 23.1375 TIMING: 1082400 CPU: 3136.5, 0.00291629/step Wall: 3136.5, 0.00291629/step, 3.17358 hours remaining, 207.039062 MB of memory in use. ENERGY: 1082400 757.2430 2124.4049 1950.7020 114.7001 -205846.1287 17694.7717 0.0000 0.0000 34072.0037 -149132.3032 297.5593 -183204.3069 -149033.6768 299.1844 -52.0430 -16.5636 557883.6951 6.1432 5.9901 PRESSURE: 1082600 195.953 -101.122 48.6804 -101.123 80.0622 -95.1265 48.6806 -95.1251 54.4207 GPRESSURE: 1082600 212.8 12.0957 68.3772 -139.122 110.724 -94.3357 50.9993 -82.0318 104.052 PRESSAVG: 1082600 5.97042 -22.4415 15.5284 -22.4414 35.1763 18.3151 15.5284 18.3152 -10.0613 GPRESSAVG: 1082600 6.64033 -22.5926 15.2535 -21.189 35.7338 19.407 13.1739 18.2087 -10.9344 TIMING: 1082600 CPU: 3137.08, 0.00290742/step Wall: 3137.08, 0.00290742/step, 3.16376 hours remaining, 207.039062 MB of memory in use. ENERGY: 1082600 725.3577 2086.7336 1963.5947 125.0312 -206479.6256 17997.7920 0.0000 0.0000 34569.4951 -149011.6213 301.9040 -183581.1164 -148913.2817 300.1239 110.1453 142.5253 557307.8026 10.3618 10.4799 PRESSURE: 1082800 15.1743 -33.9191 35.5632 -33.92 -47.1567 130.836 35.5627 130.837 -54.7156 GPRESSURE: 1082800 81.3759 -28.7092 25.0934 3.96539 -38.9327 91.3332 -4.99642 146.502 -22.1855 PRESSAVG: 1082800 -11.6675 21.3747 -21.8046 21.3747 -47.0475 14.3214 -21.8046 14.3214 23.3358 GPRESSAVG: 1082800 -12.4718 22.0806 -21.0039 19.3402 -47.319 14.1381 -22.119 14.8072 24.7188 TIMING: 1082800 CPU: 3137.67, 0.00291033/step Wall: 3137.67, 0.00291033/step, 3.16676 hours remaining, 207.039062 MB of memory in use. ENERGY: 1082800 758.8508 2165.0578 1924.8183 122.2436 -206050.2066 17786.0898 0.0000 0.0000 34213.1502 -149079.9961 298.7920 -183293.1463 -148988.6557 300.4290 -28.8993 6.7526 557993.2144 -11.7931 -11.6907 PRESSURE: 1083000 -58.1414 -26.4507 39.134 -26.4505 17.6904 -69.4954 39.1344 -69.4931 16.2604 GPRESSURE: 1083000 -75.927 -2.2039 80.4639 -98.8437 69.9809 -67.4165 25.9517 -57.4801 73.1769 PRESSAVG: 1083000 -74.2078 -35.6781 14.2534 -35.678 -3.66101 -4.68124 14.2534 -4.68116 63.0744 GPRESSAVG: 1083000 -74.5886 -34.8706 13.8834 -34.1422 -3.05651 -4.59502 16.6635 -3.64128 63.366 TIMING: 1083000 CPU: 3138.25, 0.00292563/step Wall: 3138.25, 0.00292563/step, 3.18325 hours remaining, 207.039062 MB of memory in use. ENERGY: 1083000 754.2473 2121.2335 1932.7490 120.8157 -206020.3540 17686.1360 0.0000 0.0000 34416.1266 -148989.0459 300.5646 -183405.1725 -148884.1153 300.4205 -8.0635 22.4103 556452.5691 -4.9315 -4.7597 PRESSURE: 1083200 267.172 20.5195 -120.378 20.5189 100.682 4.22616 -120.378 4.22782 74.1139 GPRESSURE: 1083200 298.586 22.0814 -21.3863 2.4133 149.949 -62.6097 -92.4226 55.6809 97.5987 PRESSAVG: 1083200 -54.1404 -56.9487 33.7727 -56.9487 70.8572 -28.7415 33.7727 -28.7415 -7.53336 GPRESSAVG: 1083200 -53.975 -59.0075 37.5547 -57.5238 70.5237 -29.6514 31.1064 -30.3306 -7.83878 TIMING: 1083200 CPU: 3138.83, 0.00290354/step Wall: 3138.83, 0.00290354/step, 3.15905 hours remaining, 207.039062 MB of memory in use. ENERGY: 1083200 719.8684 2133.1395 1952.8355 104.5949 -205969.8189 17877.0856 0.0000 0.0000 34254.3339 -148927.9610 299.1516 -183182.2948 -148831.2223 299.5114 147.3225 182.0445 557226.4613 3.0611 2.9033 PRESSURE: 1083400 131.462 -203.613 -149.577 -203.613 -6.85746 72.4811 -149.576 72.4813 98.3361 GPRESSURE: 1083400 167.811 -251.297 -142.495 -242.157 81.8827 91.2916 -122.024 77.1193 74.3494 PRESSAVG: 1083400 56.7676 -26.6667 -37.5572 -26.6666 -44.2443 21.645 -37.5573 21.645 -35.4795 GPRESSAVG: 1083400 56.8345 -27.887 -39.8712 -23.8784 -43.0324 23.2334 -35.3775 20.8898 -37.2023 TIMING: 1083400 CPU: 3139.41, 0.00291783/step Wall: 3139.41, 0.00291783/step, 3.17444 hours remaining, 207.039062 MB of memory in use. ENERGY: 1083400 738.8795 2091.5320 1919.8638 117.8172 -206214.1655 17887.5870 0.0000 0.0000 34268.1659 -149190.3202 299.2724 -183458.4860 -149093.0011 299.0576 74.3134 108.0144 556710.2684 -7.6520 -7.8000 PRESSURE: 1083600 -30.1765 36.671 -99.5151 36.668 -166.493 268.107 -99.5153 268.105 -191.218 GPRESSURE: 1083600 -26.1346 -13.7018 -135.635 -33.4048 -177.569 131.111 -177.406 302.308 -87.9232 PRESSAVG: 1083600 -20.7738 -16.8647 24.6165 -16.8646 6.34672 25.9728 24.6164 25.9727 24.8672 GPRESSAVG: 1083600 -19.2244 -15.4248 24.4064 -19.645 4.1004 24.8434 22.8231 25.6864 25.5528 TIMING: 1083600 CPU: 3140, 0.0029373/step Wall: 3140, 0.0029373/step, 3.19546 hours remaining, 207.039062 MB of memory in use. ENERGY: 1083600 789.7072 2046.5778 1948.4987 108.6908 -205991.1950 17647.8531 0.0000 0.0000 34316.5980 -149133.2694 299.6954 -183449.8674 -149037.0137 298.9397 -129.2958 -97.2088 557304.4139 3.4800 3.4763 PRESSURE: 1083800 129.543 -9.71013 -86.0713 -9.70918 102.903 88.4614 -86.071 88.4594 -121.371 GPRESSURE: 1083800 224.549 61.6952 -38.0273 -64.5444 39.4399 56.1929 -133.806 126.526 -46.5489 PRESSAVG: 1083800 11.105 56.4764 -31.5625 56.4765 -44.5177 6.50238 -31.5625 6.50227 -2.87171 GPRESSAVG: 1083800 9.09618 59.0226 -30.3744 56.4035 -41.8294 6.20716 -31.2115 8.81393 -3.84193 TIMING: 1083800 CPU: 3140.58, 0.00290826/step Wall: 3140.58, 0.00290826/step, 3.1637 hours remaining, 207.039062 MB of memory in use. ENERGY: 1083800 742.7825 2057.2266 1946.4447 123.2747 -205972.4408 17826.0338 0.0000 0.0000 34239.6829 -149036.9957 299.0237 -183276.6786 -148941.2856 299.1633 37.0252 72.4799 558186.8799 -12.0948 -12.1917 PRESSURE: 1084000 -42.5284 0.00377506 -53.7205 0.00242074 211.785 185.561 -53.7206 185.56 -29.2279 GPRESSURE: 1084000 -19.7747 -40.3407 16.2268 -20.9711 267.602 216.333 -71.5853 145.283 -6.97531 PRESSAVG: 1084000 27.1429 -18.5634 -38.2503 -18.5635 -16.2712 24.3262 -38.2502 24.3262 -5.44327 GPRESSAVG: 1084000 27.4404 -18.6413 -36.8335 -19.2208 -18.5126 22.8462 -39.3861 24.3104 -3.88435 TIMING: 1084000 CPU: 3141.16, 0.00289986/step Wall: 3141.16, 0.00289986/step, 3.15441 hours remaining, 207.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1084000 707.3798 2074.9196 1949.7090 115.9081 -205926.3433 17700.6424 0.0000 0.0000 34260.6405 -149117.1439 299.2067 -183377.7844 -149017.8371 299.9692 46.6763 80.2840 557191.7963 1.8095 1.6812 PRESSURE: 1084200 -55.1245 -226.683 133.984 -226.684 128.537 61.1057 133.984 61.1046 -91.128 GPRESSURE: 1084200 -30.128 -192.578 58.5383 -203.545 125.777 19.1193 84.8003 112.928 -32.496 PRESSAVG: 1084200 -63.753 7.943 38.0345 7.94303 33.1803 -5.16808 38.0345 -5.16822 18.1781 GPRESSAVG: 1084200 -62.2023 5.54691 35.3196 9.92351 33.2933 -3.18306 40.1349 -5.23676 16.432 TIMING: 1084200 CPU: 3141.74, 0.00290002/step Wall: 3141.74, 0.00290002/step, 3.15442 hours remaining, 207.039062 MB of memory in use. ENERGY: 1084200 771.8281 2040.2434 1941.0537 115.5426 -206118.5564 17716.8679 0.0000 0.0000 34346.9541 -149186.0666 299.9605 -183533.0207 -149086.2847 299.8010 -5.9052 21.0509 557466.0697 -4.1315 -4.1590 LDB: ============= START OF LOAD BALANCING ============== 3145.13 LDB: ============== END OF LOAD BALANCING =============== 3145.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3145.13 LDB: ============= START OF LOAD BALANCING ============== 3145.43 LDB: Largest compute 4822 load 0.025430 is 21.6% of average load 0.117981 LDB: Average compute 0.001717 is 1.5% of average load 0.117981 LDB: TIME 3145.43 LOAD: AVG 0.117981 MAX 0.183636 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.641 MB LDB: TIME 3145.43 LOAD: AVG 0.117981 MAX 0.183636 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.641 MB LDB: TIME 3145.43 LOAD: AVG 0.117981 MAX 0.183636 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.641 MB LDB: ============== END OF LOAD BALANCING =============== 3145.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3145.43 PRESSURE: 1084400 -271.225 -62.7947 -6.16983 -62.7941 -259.95 168.597 -6.16854 168.598 15.4237 GPRESSURE: 1084400 -237.822 -81.8743 -41.3512 -23.3737 -216.853 191.602 20.6841 160.98 32.541 PRESSAVG: 1084400 -0.324623 5.6028 -9.58379 5.60289 -46.3793 62.4457 -9.58383 62.4457 39.1044 GPRESSAVG: 1084400 -1.96493 6.95785 -9.28774 5.2925 -45.426 62.8857 -10.1393 60.7971 39.0378 TIMING: 1084400 CPU: 3142.34, 0.00297497/step Wall: 3142.34, 0.00297497/step, 3.23577 hours remaining, 206.062500 MB of memory in use. ENERGY: 1084400 753.6861 2128.1100 1927.0340 111.5726 -206149.5077 17706.5995 0.0000 0.0000 34399.5221 -149122.9834 300.4196 -183522.5055 -149029.9060 299.8985 -171.9173 -140.7113 557453.7499 -2.5332 -2.7844 PRESSURE: 1084600 -48.5013 -5.31786 -72.2167 -5.31885 75.7895 -48.0572 -72.2173 -48.0575 3.82258 GPRESSURE: 1084600 -69.3598 42.6904 -8.0621 15.3946 117.399 -33.7456 -122.532 -35.1355 97.565 PRESSAVG: 1084600 -8.11734 9.16026 -65.0368 9.16034 49.837 35.5533 -65.0368 35.5533 -23.8126 GPRESSAVG: 1084600 -8.07261 9.70891 -65.6753 7.29859 49.3311 35.0548 -64.0507 35.3616 -22.9787 TIMING: 1084600 CPU: 3142.92, 0.00291587/step Wall: 3142.92, 0.00291587/step, 3.17134 hours remaining, 206.062500 MB of memory in use. ENERGY: 1084600 723.1146 2068.0111 1931.2117 113.6017 -206148.1264 17803.3840 0.0000 0.0000 34150.1722 -149358.6311 298.2419 -183508.8033 -149254.1101 299.5590 10.3703 48.5347 557194.6353 5.9690 6.0933 PRESSURE: 1084800 226.659 -65.9793 -113.876 -65.9813 193.12 10.7773 -113.877 10.7771 116.185 GPRESSURE: 1084800 220.589 -58.2622 -67.4663 -69.8748 235.872 54.0562 -106.614 -18.4356 183.639 PRESSAVG: 1084800 -19.5862 21.4711 33.9517 21.4711 -13.3992 21.7917 33.9516 21.7917 32.6772 GPRESSAVG: 1084800 -19.3262 21.5021 33.5455 21.4652 -12.4518 21.8214 33.291 22.7044 31.7221 TIMING: 1084800 CPU: 3143.5, 0.00290299/step Wall: 3143.5, 0.00290299/step, 3.15717 hours remaining, 206.062500 MB of memory in use. ENERGY: 1084800 716.1915 2035.2275 1945.6361 114.4877 -206101.5052 17794.1795 0.0000 0.0000 34088.2475 -149407.5353 297.7011 -183495.7828 -149316.5652 298.7898 178.6547 213.3668 555695.3586 -0.1027 -0.0186 PRESSURE: 1085000 107.882 84.309 -125.58 84.3095 -14.2029 99.3211 -125.579 99.3203 100.214 GPRESSURE: 1085000 92.5408 89.0591 -107.111 134.124 77.4517 115.734 -129.567 101.436 128.732 PRESSAVG: 1085000 3.63421 36.1023 -12.8012 36.1023 -4.71317 33.2658 -12.8012 33.2658 9.63655 GPRESSAVG: 1085000 3.95684 32.6086 -15.0412 39.1876 -5.96454 34.0598 -11.5124 33.6183 10.4058 TIMING: 1085000 CPU: 3144.08, 0.00288624/step Wall: 3144.08, 0.00288624/step, 3.13878 hours remaining, 206.062500 MB of memory in use. ENERGY: 1085000 746.2650 2093.0977 1930.0087 111.3654 -206365.3703 17991.3260 0.0000 0.0000 34139.7009 -149353.6066 298.1505 -183493.3075 -149260.2861 298.9352 64.6308 99.5750 556609.1988 2.8525 2.7994 PRESSURE: 1085200 145.924 141.635 -8.21148 141.634 -101.477 119.869 -8.21246 119.868 34.819 GPRESSURE: 1085200 136.334 142.889 47.3474 132.069 -23.1952 85.4397 -76.2506 145.969 51.195 PRESSAVG: 1085200 -56.0596 -25.7932 55.064 -25.7932 25.817 66.2801 55.0642 66.2801 -6.94073 GPRESSAVG: 1085200 -55.6769 -23.8585 57.9508 -28.514 25.572 65.2027 52.574 65.6543 -7.04625 TIMING: 1085200 CPU: 3144.66, 0.00289692/step Wall: 3144.66, 0.00289692/step, 3.15024 hours remaining, 206.062500 MB of memory in use. ENERGY: 1085200 771.3266 2121.5432 1951.4489 133.9584 -206320.6045 17883.9094 0.0000 0.0000 34275.4971 -149182.9209 299.3364 -183458.4180 -149086.4157 299.2344 26.4220 54.7779 557010.5740 -12.3944 -12.3837 PRESSURE: 1085400 -89.1203 90.0462 -59.1775 90.0451 55.4614 23.1341 -59.1769 23.1332 -203.935 GPRESSURE: 1085400 -37.6754 8.69077 -46.6317 114.151 56.9553 -57.6826 -84.5331 -30.863 -167.849 PRESSAVG: 1085400 44.9921 -30.2264 12.9666 -30.2264 -28.0637 34.4486 12.9666 34.4486 21.3232 GPRESSAVG: 1085400 44.0817 -28.3155 14.1484 -29.8503 -27.2239 32.8445 14.1488 34.9804 21.7447 TIMING: 1085400 CPU: 3145.24, 0.00289632/step Wall: 3145.24, 0.00289632/step, 3.14943 hours remaining, 206.062500 MB of memory in use. ENERGY: 1085400 752.8661 2065.4737 1994.9872 117.4196 -206050.4136 17721.0043 0.0000 0.0000 34174.6673 -149223.9954 298.4559 -183398.6628 -149122.4421 299.1300 -79.1979 -49.5228 557424.0632 12.7506 12.8675 PRESSURE: 1085600 -164.257 -58.6607 101.9 -58.6597 -42.2245 11.7553 101.899 11.7555 -52.8515 GPRESSURE: 1085600 -179.184 -119.101 171.594 -36.5144 33.4531 40.739 109.859 -1.67737 -15.3407 PRESSAVG: 1085600 -8.07263 -19.1151 -0.304275 -19.1151 29.9275 -42.4731 -0.304337 -42.4729 -7.33122 GPRESSAVG: 1085600 -7.50014 -18.5062 -1.07606 -19.6391 30.06 -37.9374 -2.21067 -42.6791 -7.98766 TIMING: 1085600 CPU: 3145.82, 0.00291358/step Wall: 3145.82, 0.00291358/step, 3.16803 hours remaining, 206.062500 MB of memory in use. ENERGY: 1085600 765.3552 2103.1420 1953.6257 130.0611 -205957.7268 17640.9992 0.0000 0.0000 34168.5646 -149195.9790 298.4026 -183364.5436 -149100.7797 299.1597 -86.4442 -53.6904 556775.6322 4.8412 4.8574 PRESSURE: 1085800 -51.5467 36.4131 174.298 36.414 -282.915 4.55352 174.298 4.55285 43.5084 GPRESSURE: 1085800 -10.8208 -18.5896 192.937 21.4402 -194.669 -17.5122 180.194 35.02 8.53054 PRESSAVG: 1085800 31.215 -6.86694 -25.6982 -6.86703 -94.7619 39.9098 -25.6982 39.9098 17.2715 GPRESSAVG: 1085800 30.9189 -8.10116 -27.1835 -6.64169 -94.4815 35.2007 -24.5432 38.1893 17.3762 TIMING: 1085800 CPU: 3146.41, 0.00292256/step Wall: 3146.41, 0.00292256/step, 3.17763 hours remaining, 206.062500 MB of memory in use. ENERGY: 1085800 778.4985 2118.3222 1950.4896 105.4595 -206064.7273 17606.6350 0.0000 0.0000 34195.0768 -149310.2458 298.6341 -183505.3226 -149222.9373 298.6131 -96.9845 -65.6532 557565.2641 -15.4251 -15.3955 PRESSURE: 1086000 36.9754 -287.854 27.9738 -287.856 -213.913 -29.1415 27.9735 -29.1416 89.9133 GPRESSURE: 1086000 97.7824 -263.267 19.951 -295.753 -237.326 -62.0504 111.537 -48.4464 152.535 PRESSAVG: 1086000 45.1622 -73.5659 10.9683 -73.5661 -64.6859 20.4166 10.9684 20.4167 41.3733 GPRESSAVG: 1086000 45.7041 -73.0819 11.0323 -72.8773 -64.4303 23.666 11.1185 22.7822 40.1359 TIMING: 1086000 CPU: 3146.99, 0.00290556/step Wall: 3146.99, 0.00290556/step, 3.15899 hours remaining, 206.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1086000 787.1599 2108.9746 1948.6739 118.7015 -206334.3600 17822.6613 0.0000 0.0000 34427.5748 -149120.6140 300.6646 -183548.1888 -149024.5671 299.0746 -29.0079 4.3308 557231.1170 7.2832 7.1366 PRESSURE: 1086200 16.0822 -60.9354 -23.0016 -60.9352 -79.4685 83.4585 -23.0007 83.4579 -103.66 GPRESSURE: 1086200 -28.5979 -51.0015 -11.8248 -120.884 -3.33849 57.5976 -139.872 49.4248 -38.8803 PRESSAVG: 1086200 21.5093 -38.381 15.7708 -38.3811 8.56631 -8.00335 15.7709 -8.00333 -25.07 GPRESSAVG: 1086200 20.2489 -36.9003 17.4686 -39.2019 8.20362 -8.9894 15.4986 -8.81586 -23.9593 TIMING: 1086200 CPU: 3147.56, 0.0028906/step Wall: 3147.56, 0.0028906/step, 3.14256 hours remaining, 206.062500 MB of memory in use. ENERGY: 1086200 761.7069 2065.1853 1942.8570 109.7600 -205969.6250 17584.8534 0.0000 0.0000 34390.2846 -149114.9778 300.3389 -183505.2624 -149021.6816 299.3138 -55.6819 -23.6055 557518.0002 1.6686 1.4977 PRESSURE: 1086400 -2.61853 -33.3761 141.071 -33.3754 -137.726 -158.109 141.071 -158.107 -49.0643 GPRESSURE: 1086400 16.7019 -3.60262 128.89 -82.2551 -114.041 -177.921 122.647 -117.549 4.63935 PRESSAVG: 1086400 47.3873 1.36883 13.9873 1.36891 -10.688 -32.0339 13.9873 -32.0341 -8.43805 GPRESSAVG: 1086400 47.3634 1.29176 12.9658 2.36577 -11.399 -33.013 13.7734 -31.6353 -7.76865 TIMING: 1086400 CPU: 3148.14, 0.00287998/step Wall: 3148.14, 0.00287998/step, 3.13086 hours remaining, 206.062500 MB of memory in use. ENERGY: 1086400 742.1346 2130.9699 1930.9955 120.4609 -206067.5242 17710.6585 0.0000 0.0000 34294.6510 -149137.6537 299.5037 -183432.3047 -149038.0285 299.8511 -63.1362 -30.9000 558701.0178 9.4204 9.3986 PRESSURE: 1086600 -156.58 124.309 -189.653 124.308 -116.528 -26.0814 -189.653 -26.0785 -23.9568 GPRESSURE: 1086600 -87.9416 77.3244 -91.1674 107.314 -139.015 -77.0637 -215.363 41.0384 31.6646 PRESSAVG: 1086600 2.73427 6.42576 22.1234 6.42576 -3.30958 -18.2312 22.1233 -18.2311 2.81663 GPRESSAVG: 1086600 3.54176 5.2607 21.4648 7.05114 -3.8348 -16.9678 22.9807 -17.8503 2.01772 TIMING: 1086600 CPU: 3148.72, 0.00289729/step Wall: 3148.72, 0.00289729/step, 3.14951 hours remaining, 206.062500 MB of memory in use. ENERGY: 1086600 785.3734 2152.1119 1954.5290 111.5009 -206308.5771 17807.3262 0.0000 0.0000 34213.3238 -149284.4119 298.7935 -183497.7357 -149192.7511 299.6649 -99.0216 -65.0973 557610.3042 0.7471 0.5749 PRESSURE: 1086800 -172.52 -138.121 294.949 -138.121 -129.886 -154.381 294.949 -154.38 42.734 GPRESSURE: 1086800 -158.546 -108.318 232.049 -111.737 -109.136 -157.003 310.194 -128.661 94.9399 PRESSAVG: 1086800 -20.5896 -26.8465 42.9744 -26.8465 8.08174 -26.6561 42.9744 -26.6561 20.3325 GPRESSAVG: 1086800 -20.1344 -27.8369 43.3056 -24.9034 9.38625 -26.4385 43.1005 -26.1323 18.3853 TIMING: 1086800 CPU: 3149.3, 0.00289933/step Wall: 3149.3, 0.00289933/step, 3.15157 hours remaining, 206.062500 MB of memory in use. ENERGY: 1086800 709.6600 2133.2362 1972.4436 116.4785 -206269.9502 17730.5806 0.0000 0.0000 34261.7851 -149345.7661 299.2167 -183607.5512 -149244.5520 298.5733 -86.5574 -57.5808 558215.4759 2.6082 2.5457 PRESSURE: 1087000 -129.659 -8.61551 -150.722 -8.61656 -95.2871 -33.39 -150.722 -33.3895 37.5429 GPRESSURE: 1087000 -75.8082 18.4069 -158.781 25.6035 -59.4332 -87.2308 -152.822 -21.76 57.0677 PRESSAVG: 1087000 -33.7566 -10.6606 17.8923 -10.6607 12.1392 -12.0868 17.8922 -12.0869 5.44153 GPRESSAVG: 1087000 -36.1901 -9.99807 17.2318 -12.3827 11.4581 -13.7205 18.0935 -13.6015 8.37985 TIMING: 1087000 CPU: 3149.88, 0.00288795/step Wall: 3149.88, 0.00288795/step, 3.13905 hours remaining, 206.062500 MB of memory in use. ENERGY: 1087000 729.3582 2109.5279 1949.3587 106.0430 -206396.7889 17842.2494 0.0000 0.0000 34325.9252 -149334.3265 299.7768 -183660.2517 -149239.0477 299.2265 -62.4678 -26.0579 558746.1615 -5.3920 -5.4507 PRESSURE: 1087200 -203.481 -106.942 -177.358 -106.94 -337.378 -86.9835 -177.359 -86.9847 -299.523 GPRESSURE: 1087200 -214.156 3.93035 -151.777 -122.064 -272.053 -75.7326 -103.824 -120.821 -259.776 PRESSAVG: 1087200 39.4088 48.4557 -21.1406 48.4558 -1.76211 -18.7236 -21.1406 -18.7236 4.58562 GPRESSAVG: 1087200 40.7247 48.2839 -20.2578 46.5624 -1.90877 -16.6708 -21.3061 -18.1137 3.17974 TIMING: 1087200 CPU: 3150.45, 0.00288588/step Wall: 3150.45, 0.00288588/step, 3.13663 hours remaining, 206.062500 MB of memory in use. ENERGY: 1087200 762.6770 2157.8053 1937.4911 109.5330 -205941.0837 17470.4076 0.0000 0.0000 34396.9284 -149106.2415 300.3969 -183503.1699 -149008.6025 299.1147 -280.1274 -248.6614 558262.2455 14.0774 13.9986 PRESSURE: 1087400 325.29 36.8098 65.3015 36.8094 -214.82 25.0595 65.3018 25.0587 -40.6744 GPRESSURE: 1087400 305.342 7.01285 26.5308 143.706 -130.798 144.501 -8.87557 65.2207 -10.3655 PRESSAVG: 1087400 47.4334 -7.6398 -41.2503 -7.63984 -4.3063 16.9087 -41.2503 16.9086 -8.5898 GPRESSAVG: 1087400 46.5948 -7.75198 -39.0854 -6.62308 -4.08193 14.7368 -42.8504 19.2302 -8.26835 TIMING: 1087400 CPU: 3151.04, 0.00291367/step Wall: 3151.04, 0.00291367/step, 3.16668 hours remaining, 206.261719 MB of memory in use. ENERGY: 1087400 786.2556 2142.8261 1957.2523 113.4357 -206474.2457 18044.3209 0.0000 0.0000 34435.5166 -148994.6385 300.7339 -183430.1552 -148908.6754 299.9942 23.2653 54.7260 556912.3816 11.5124 11.4148 PRESSURE: 1087600 -14.6871 -110.863 -126.873 -110.863 98.7946 -137.913 -126.873 -137.914 -91.2633 GPRESSURE: 1087600 38.6141 -105.322 -89.9862 -15.6224 139.667 -174.208 -142.637 -125.594 -98.3178 PRESSAVG: 1087600 13.7635 -22.006 -34.9934 -22.0061 -50.1936 -97.6032 -34.9933 -97.6033 38.8646 GPRESSAVG: 1087600 14.0603 -21.3166 -38.2324 -22.2743 -49.6744 -95.6688 -33.2118 -100.118 37.5373 TIMING: 1087600 CPU: 3151.62, 0.00290007/step Wall: 3151.62, 0.00290007/step, 3.15174 hours remaining, 206.261719 MB of memory in use. ENERGY: 1087600 784.3238 2128.9083 1933.7361 122.8699 -206150.8843 17826.4864 0.0000 0.0000 34437.0006 -148917.5592 300.7469 -183354.5598 -148828.3062 300.7584 -2.3853 26.6545 555782.0660 0.8115 0.6411 PRESSURE: 1087800 -92.3935 111.626 101.163 111.626 8.11492 15.162 101.163 15.1627 -157.025 GPRESSURE: 1087800 -74.0586 200.838 96.0965 96.563 24.7939 -63.6109 77.0162 -34.9041 -96.2024 PRESSAVG: 1087800 -22.2418 33.2267 -50.2579 33.2267 -19.5276 -29.6989 -50.2579 -29.6987 17.6371 GPRESSAVG: 1087800 -23.158 32.0657 -48.2926 35.5589 -20.2359 -29.385 -51.1584 -28.418 18.5408 TIMING: 1087800 CPU: 3152.19, 0.00288641/step Wall: 3152.19, 0.00288641/step, 3.13673 hours remaining, 206.261719 MB of memory in use. ENERGY: 1087800 766.5275 2039.5402 1957.6206 115.7242 -205709.5827 17605.5070 0.0000 0.0000 34301.6463 -148923.0169 299.5648 -183224.6632 -148831.8282 299.8587 -80.4346 -48.4890 558222.5098 -8.0441 -8.2844 PRESSURE: 1088000 21.4305 38.5513 127.651 38.5523 17.1742 -111.391 127.65 -111.392 -319.189 GPRESSURE: 1088000 45.1891 108.126 78.0119 -23.3341 47.8604 -95.1889 95.2764 -88.7934 -272.188 PRESSAVG: 1088000 27.0565 48.8078 16.8879 48.8078 -6.95857 -58.8142 16.8878 -58.8141 -28.6643 GPRESSAVG: 1088000 26.5349 49.8551 14.4047 45.5843 -7.00682 -60.4706 16.4539 -60.2152 -28.591 TIMING: 1088000 CPU: 3152.78, 0.00290205/step Wall: 3152.78, 0.00290205/step, 3.15356 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1088000 748.1410 2086.2133 1957.6130 110.9856 -206112.4567 17791.0787 0.0000 0.0000 34331.7578 -149086.6673 299.8278 -183418.4252 -148994.5973 300.6191 -93.5281 -59.7128 559320.5442 -2.8555 -3.0210 PRESSURE: 1088200 -70.9347 18.964 157.773 18.9645 -207.881 44.1344 157.774 44.1343 40.7137 GPRESSURE: 1088200 -7.35809 -73.3181 161.108 10.417 -195.72 15.5238 90.1353 18.7969 76.5619 PRESSAVG: 1088200 39.2443 7.36935 38.057 7.36934 -29.168 14.9298 38.0571 14.9299 -18.8692 GPRESSAVG: 1088200 39.6077 6.81445 38.528 10.4088 -29.6465 14.4545 39.694 15.3414 -19.2044 TIMING: 1088200 CPU: 3153.35, 0.0028963/step Wall: 3153.35, 0.0028963/step, 3.14715 hours remaining, 206.261719 MB of memory in use. ENERGY: 1088200 750.6324 2076.3323 1955.7955 105.4989 -206347.2803 17929.1135 0.0000 0.0000 34260.0274 -149269.8803 299.2013 -183529.9077 -149168.3543 299.9289 -79.3674 -42.1722 558117.1441 -2.9310 -3.0811 LDB: ============= START OF LOAD BALANCING ============== 3156.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3156.74 LDB: =============== DONE WITH MIGRATION ================ 3156.74 LDB: ============= START OF LOAD BALANCING ============== 3157.04 LDB: Largest compute 4822 load 0.023755 is 20.1% of average load 0.117975 LDB: Average compute 0.001704 is 1.4% of average load 0.117975 LDB: TIME 3157.04 LOAD: AVG 0.117975 MAX 0.184587 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 3157.04 LOAD: AVG 0.117975 MAX 0.184587 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: TIME 3157.04 LOAD: AVG 0.117975 MAX 0.184587 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: ============== END OF LOAD BALANCING =============== 3157.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3157.05 PRESSURE: 1088400 -218.02 -137.128 22.0605 -137.128 122.196 194.987 22.0606 194.987 68.6469 GPRESSURE: 1088400 -131.516 -158.646 18.4448 -73.5988 138.489 167.307 -18.7734 149.724 91.8898 PRESSAVG: 1088400 -9.99434 90.4804 39.4279 90.4804 -15.569 23.6632 39.4278 23.6634 21.883 GPRESSAVG: 1088400 -10.0108 90.0925 40.2108 90.7902 -14.6944 25.1124 39.8761 23.1638 21.1953 TIMING: 1088400 CPU: 3153.95, 0.00297509/step Wall: 3153.95, 0.00297509/step, 3.2326 hours remaining, 207.781250 MB of memory in use. ENERGY: 1088400 785.7163 2095.7595 1944.6957 109.0204 -206198.1129 17748.5869 0.0000 0.0000 34454.2632 -149060.0709 300.8977 -183514.3342 -148962.3771 299.3488 -9.0590 32.9545 558254.7291 -1.2268 -1.1699 PRESSURE: 1088600 135.754 58.3875 2.96848 58.3871 -279.669 -34.8348 2.96775 -34.835 -371.241 GPRESSURE: 1088600 123.991 70.3816 -44.9225 75.6721 -297.018 -95.3798 2.03961 -69.1826 -259.542 PRESSAVG: 1088600 -33.492 8.01208 16.1116 8.01204 -9.10411 42.6362 16.1117 42.6362 24.0874 GPRESSAVG: 1088600 -32.5786 9.17702 15.6187 7.22269 -10.5721 43.5444 13.7864 43.4738 24.5376 TIMING: 1088600 CPU: 3154.53, 0.00291468/step Wall: 3154.53, 0.00291468/step, 3.1668 hours remaining, 207.984375 MB of memory in use. ENERGY: 1088600 748.7756 2138.0712 1950.0214 105.4986 -205909.2970 17519.3758 0.0000 0.0000 34331.6233 -149115.9311 299.8266 -183447.5544 -149015.3131 299.0698 -171.7188 -144.1899 558902.1462 -6.1696 -6.2044 PRESSURE: 1088800 25.1024 31.4813 -121.173 31.4814 -205.177 -68.6062 -121.173 -68.6055 -248.402 GPRESSURE: 1088800 27.9055 -3.36031 -89.1082 126.303 -159.432 -109.602 -123.776 40.0171 -197.698 PRESSAVG: 1088800 70.2731 28.3694 -4.55884 28.3694 -25.9704 26.1787 -4.55876 26.1788 -13.7412 GPRESSAVG: 1088800 68.1315 29.2331 -3.16925 28.3286 -24.2226 24.7515 -4.10781 26.6577 -12.8099 TIMING: 1088800 CPU: 3155.12, 0.0029155/step Wall: 3155.12, 0.0029155/step, 3.16753 hours remaining, 207.984375 MB of memory in use. ENERGY: 1088800 773.1341 2076.9671 1964.6599 110.3233 -205652.8319 17544.2591 0.0000 0.0000 34175.0159 -149008.4725 298.4589 -183183.4884 -148914.5505 299.7368 -142.8254 -109.7414 557545.5182 10.1872 10.3663 PRESSURE: 1089000 -179.127 -111.01 -93.1608 -111.01 -30.0343 -76.5633 -93.1614 -76.562 -267.465 GPRESSURE: 1089000 -167.412 -51.2781 -47.6892 -66.1473 14.8058 -109.358 -109.568 -108.109 -219.642 PRESSAVG: 1089000 -14.7033 -21.6324 12.9573 -21.6325 55.0353 -32.3853 12.9573 -32.3852 -51.769 GPRESSAVG: 1089000 -13.1887 -22.432 11.5912 -22.0222 52.9022 -30.2553 15.9265 -35.6333 -51.3601 TIMING: 1089000 CPU: 3155.7, 0.00290461/step Wall: 3155.7, 0.00290461/step, 3.15554 hours remaining, 207.984375 MB of memory in use. ENERGY: 1089000 716.1088 2049.7235 1921.3178 106.8355 -205667.9552 17461.5976 0.0000 0.0000 34277.0012 -149135.3708 299.3496 -183412.3720 -149040.9961 299.1291 -158.8753 -124.0827 559529.4895 -3.8123 -3.8822 PRESSURE: 1089200 -144.75 52.0607 -81.7525 52.0615 -18.5738 29.7026 -81.7535 29.7023 -221.649 GPRESSURE: 1089200 -110.823 9.86132 -33.9425 102.966 1.32504 42.6405 -137.135 -4.60948 -175.437 PRESSAVG: 1089200 -17.6637 5.44184 -46.2377 5.44177 101.746 -31.9584 -46.2377 -31.9584 -68.5773 GPRESSAVG: 1089200 -18.025 4.01995 -44.1713 6.96473 104.227 -32.414 -48.4642 -31.0385 -70.6904 TIMING: 1089200 CPU: 3156.28, 0.0029123/step Wall: 3156.28, 0.0029123/step, 3.16373 hours remaining, 207.984375 MB of memory in use. ENERGY: 1089200 755.9852 2074.9855 1945.0661 112.4224 -206106.5111 17724.2999 0.0000 0.0000 34143.6228 -149350.1292 298.1847 -183493.7520 -149257.2590 298.6091 -128.3241 -94.9783 559133.0944 5.1683 5.1704 PRESSURE: 1089400 269.284 85.8182 49.8412 85.8194 -73.3516 37.467 49.8415 37.4672 145.976 GPRESSURE: 1089400 266.496 81.0749 -76.7899 84.1677 -20.1012 40.1432 109.138 60.7429 184.816 PRESSAVG: 1089400 26.5135 79.7688 -18.6729 79.7689 28.3972 -28.1116 -18.6729 -28.1117 -35.641 GPRESSAVG: 1089400 25.2281 82.068 -20.0605 79.2964 27.6279 -28.333 -18.7469 -27.8393 -34.0663 TIMING: 1089400 CPU: 3156.86, 0.00291581/step Wall: 3156.86, 0.00291581/step, 3.16738 hours remaining, 207.984375 MB of memory in use. ENERGY: 1089400 733.0484 2101.9037 1939.8183 115.8394 -206460.0567 17965.1701 0.0000 0.0000 34312.4804 -149291.7963 299.6594 -183604.2766 -149197.8943 298.9490 113.9696 143.7369 556739.3839 6.4232 6.2632 PRESSURE: 1089600 -99.4364 -55.5286 128.963 -55.5288 -52.368 1.46624 128.964 1.46657 224.659 GPRESSURE: 1089600 -51.0444 -49.2236 133.255 -8.89441 -58.1224 41.8062 197.402 5.11262 283.694 PRESSAVG: 1089600 34.8021 38.4092 17.3395 38.4093 -18.3994 -7.49793 17.3394 -7.49801 20.9627 GPRESSAVG: 1089600 36.1688 38.8253 18.2759 36.8562 -19.0083 -9.21087 17.7139 -5.49267 20.6327 TIMING: 1089600 CPU: 3157.44, 0.00289728/step Wall: 3157.44, 0.00289728/step, 3.14709 hours remaining, 207.984375 MB of memory in use. ENERGY: 1089600 780.8129 2089.3192 1954.6745 116.2302 -206269.8191 17894.3240 0.0000 0.0000 34149.6768 -149284.7815 298.2376 -183434.4583 -149198.5885 298.8047 24.2847 58.1757 556818.2725 12.4551 12.5977 PRESSURE: 1089800 -28.3142 56.2988 14.1982 56.2979 -6.96942 12.5926 14.1981 12.5921 -12.782 GPRESSURE: 1089800 12.707 58.5582 49.9808 37.4803 63.3159 83.6865 74.6937 81.3422 -30.1078 PRESSAVG: 1089800 17.7984 -42.8974 40.6615 -42.8974 13.4859 -13.3554 40.6616 -13.3554 7.37029 GPRESSAVG: 1089800 18.0159 -42.9435 39.662 -43.6533 13.3356 -13.021 40.2779 -12.2021 7.6827 TIMING: 1089800 CPU: 3158.02, 0.00290309/step Wall: 3158.02, 0.00290309/step, 3.15324 hours remaining, 207.984375 MB of memory in use. ENERGY: 1089800 747.1476 2082.5352 1938.5967 113.6274 -205900.1815 17694.1533 0.0000 0.0000 34243.8850 -149080.2361 299.0604 -183324.1211 -148978.0780 299.6278 -16.0219 15.3050 557395.0550 12.8848 13.0114 PRESSURE: 1090000 -240.108 -32.3041 21.101 -32.3045 -575.39 45.7965 21.0998 45.796 -274.881 GPRESSURE: 1090000 -253.553 -60.0446 70.5232 -36.8089 -534.598 65.8753 -60.4514 68.7213 -202.427 PRESSAVG: 1090000 39.7306 -41.4768 -49.769 -41.4767 -44.0223 -5.18237 -49.7691 -5.18238 7.44366 GPRESSAVG: 1090000 39.3774 -44.2906 -47.3246 -39.7301 -42.9709 -4.73548 -50.5181 -7.60043 6.93775 TIMING: 1090000 CPU: 3158.61, 0.00291891/step Wall: 3158.61, 0.00291891/step, 3.17026 hours remaining, 207.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1090000 790.3331 2097.1470 1925.2011 110.8078 -205597.4572 17234.1324 0.0000 0.0000 34269.9290 -149169.9067 299.2878 -183439.8357 -149072.5184 299.0612 -363.4599 -330.1928 558074.2727 1.0507 1.1147 PRESSURE: 1090200 340.369 -46.4686 112.844 -46.4688 -197.012 -202.32 112.843 -202.321 -166.334 GPRESSURE: 1090200 258.046 -77.7998 56.1912 10.9433 -136.934 -286.823 72.0841 -91.3254 -46.5416 PRESSAVG: 1090200 24.8147 16.8144 -27.2534 16.8143 -36.7626 3.78397 -27.2533 3.78398 -6.5339 GPRESSAVG: 1090200 25.0283 17.0869 -30.0265 16.2267 -36.9646 5.28035 -26.0174 4.00712 -6.39329 TIMING: 1090200 CPU: 3159.19, 0.00292331/step Wall: 3159.19, 0.00292331/step, 3.17488 hours remaining, 207.984375 MB of memory in use. ENERGY: 1090200 764.6084 2130.4815 1960.1170 103.6903 -206352.0372 17716.8313 0.0000 0.0000 34372.7676 -149303.5411 300.1859 -183676.3087 -149213.6017 298.8792 -7.6592 24.8567 557029.2098 -6.1606 -6.1099 PRESSURE: 1090400 226.576 -180.84 109.581 -180.84 -237.395 -2.94962 109.581 -2.94881 17.7778 GPRESSURE: 1090400 226.964 -115.396 191.731 -224.853 -191.597 -3.12209 82.5442 -65.5032 84.9502 PRESSAVG: 1090400 -26.9552 -48.052 34.7925 -48.052 -15.2756 57.2977 34.7924 57.2977 33.1912 GPRESSAVG: 1090400 -27.5093 -46.0603 34.8912 -46.8301 -14.8805 55.212 34.2636 56.2825 33.6041 TIMING: 1090400 CPU: 3159.77, 0.00291825/step Wall: 3159.77, 0.00291825/step, 3.16922 hours remaining, 207.984375 MB of memory in use. ENERGY: 1090400 788.3375 2147.8579 1939.0542 114.4363 -206458.6337 17802.9072 0.0000 0.0000 34301.1262 -149364.9146 299.5603 -183666.0408 -149258.9906 299.1075 2.3196 40.1058 555916.3998 -3.0132 -2.9285 PRESSURE: 1090600 49.1082 -78.5312 -87.9402 -78.5293 -5.44211 -72.3679 -87.9388 -72.3683 -287.261 GPRESSURE: 1090600 62.8816 -94.6278 -103.73 -107.426 39.5382 27.5492 30.9186 -89.3091 -241.487 PRESSAVG: 1090600 11.7371 0.761897 -19.539 0.761855 -61.0253 23.5774 -19.539 23.5774 48.8509 GPRESSAVG: 1090600 12.9278 -0.646256 -20.9215 -0.978473 -62.3246 26.6092 -17.7789 22.3298 49.161 TIMING: 1090600 CPU: 3160.36, 0.00292592/step Wall: 3160.36, 0.00292592/step, 3.17739 hours remaining, 207.984375 MB of memory in use. ENERGY: 1090600 749.8168 2101.9788 1994.6040 121.6214 -206325.2013 17864.6366 0.0000 0.0000 34241.0975 -149251.4463 299.0360 -183492.5437 -149154.5286 299.5408 -81.1984 -46.3557 558619.6888 -0.1458 -0.0786 PRESSURE: 1090800 -377.569 -23.0569 -195.129 -23.0584 -21.932 98.7227 -195.13 98.7223 -139.901 GPRESSURE: 1090800 -322.527 -74.8289 -195.983 111.637 20.3811 -2.52378 -153.812 148.919 -148.181 PRESSAVG: 1090800 41.9321 -12.0043 -25.3951 -12.0041 15.3102 49.7386 -25.3951 49.7387 -9.51429 GPRESSAVG: 1090800 42.3442 -12.9311 -23.6962 -8.55871 15.9528 46.0014 -27.8893 52.7419 -10.7423 TIMING: 1090800 CPU: 3160.94, 0.00289124/step Wall: 3160.94, 0.00289124/step, 3.13957 hours remaining, 207.984375 MB of memory in use. ENERGY: 1090800 713.1833 2147.1559 1981.3622 141.9010 -206216.4390 17482.2128 0.0000 0.0000 34542.4213 -149208.2025 301.6676 -183750.6238 -149113.4867 299.2930 -179.8005 -150.1089 557517.9945 15.9093 15.8516 PRESSURE: 1091000 -44.4179 81.0938 -242.234 81.0921 -0.959931 -45.5872 -242.235 -45.588 341.787 GPRESSURE: 1091000 4.09285 54.3943 -165.87 51.8272 20.1456 -20.6884 -230.689 -51.7402 375.525 PRESSAVG: 1091000 -27.1396 10.9589 -60.0333 10.9588 25.8526 -42.6142 -60.0334 -42.6141 20.8141 GPRESSAVG: 1091000 -27.5155 10.5941 -60.6895 7.88574 25.0353 -40.9921 -57.0355 -43.7665 22.0513 TIMING: 1091000 CPU: 3161.51, 0.00288181/step Wall: 3161.51, 0.00288181/step, 3.12917 hours remaining, 207.984375 MB of memory in use. ENERGY: 1091000 707.9427 2104.0538 1962.1775 115.5697 -206343.7918 17953.2249 0.0000 0.0000 34259.8099 -149241.0133 299.1994 -183500.8232 -149138.9342 299.3521 98.8029 133.2545 556732.7972 6.5090 6.5237 PRESSURE: 1091200 58.4325 -59.0325 -62.0373 -59.0331 -64.4825 -74.4381 -62.0374 -74.4386 -393.429 GPRESSURE: 1091200 -13.8664 4.87257 -58.6073 -72.9034 43.7929 -122.753 -64.5 46.5615 -323.582 PRESSAVG: 1091200 23.8094 20.9229 -51.9091 20.9228 17.8541 74.4322 -51.9089 74.4321 -41.231 GPRESSAVG: 1091200 23.8072 20.8997 -53.4453 23.271 18.3128 74.8898 -51.4611 72.805 -41.8632 TIMING: 1091200 CPU: 3162.09, 0.00289099/step Wall: 3162.09, 0.00289099/step, 3.13897 hours remaining, 207.984375 MB of memory in use. ENERGY: 1091200 783.9662 2078.2427 1957.5240 112.7831 -206027.4840 17740.0370 0.0000 0.0000 34267.0019 -149087.9292 299.2623 -183354.9311 -148990.4111 299.3801 -133.1598 -97.8851 557514.1358 0.1442 0.0856 PRESSURE: 1091400 29.2427 -119.629 -47.8162 -119.629 -182.884 -212.334 -47.8166 -212.334 26.9207 GPRESSURE: 1091400 -5.67337 -98.3119 10.5669 -64.5597 -54.1684 -217.157 -104.821 -284.753 28.9921 PRESSAVG: 1091400 36.9142 6.33352 9.50771 6.33358 -5.55716 -41.0137 9.5077 -41.0136 -22.9579 GPRESSAVG: 1091400 36.0873 10.1515 11.471 4.10759 -4.89852 -41.0634 9.31076 -39.4423 -23.0682 TIMING: 1091400 CPU: 3162.67, 0.00288942/step Wall: 3162.67, 0.00288942/step, 3.1371 hours remaining, 207.984375 MB of memory in use. ENERGY: 1091400 720.0431 2142.0553 1964.5496 122.6465 -206257.3415 17779.7503 0.0000 0.0000 34426.4126 -149101.8840 300.6544 -183528.2967 -149014.1447 300.2383 -42.2402 -10.2832 557919.8460 2.7997 2.7069 PRESSURE: 1091600 -104.419 -35.1026 0.88515 -35.102 -400.252 116.273 0.88545 116.273 -169.324 GPRESSURE: 1091600 -96.4296 -91.7748 -27.4172 -5.53121 -343.625 157.271 50.6773 129.78 -121.978 PRESSAVG: 1091600 5.95554 -5.23169 -22.9855 -5.23162 -31.9009 -58.0937 -22.9855 -58.0937 20.1493 GPRESSAVG: 1091600 5.60827 -7.1121 -23.283 -6.65468 -31.772 -57.7925 -23.2901 -58.5978 20.6059 TIMING: 1091600 CPU: 3163.24, 0.00287006/step Wall: 3163.24, 0.00287006/step, 3.11593 hours remaining, 207.984375 MB of memory in use. ENERGY: 1091600 772.6426 2043.3256 1956.8504 108.1555 -205997.6167 17528.0794 0.0000 0.0000 34369.9669 -149218.5963 300.1615 -183588.5632 -149130.0993 299.4563 -224.6649 -187.3439 558501.3133 -1.9320 -1.8526 PRESSURE: 1091800 -208.509 100.241 100.32 100.241 -248.975 -107.194 100.321 -107.194 -196.348 GPRESSURE: 1091800 -199.905 4.96019 127.557 122.445 -166.769 -96.748 146.9 -141.441 -190.109 PRESSAVG: 1091800 27.7381 -40.5681 -14.6954 -40.5681 23.2653 1.5946 -14.6954 1.59454 -13.6021 GPRESSAVG: 1091800 28.1428 -41.2869 -13.516 -37.4251 22.4794 -0.330795 -16.6551 3.97669 -13.6049 TIMING: 1091800 CPU: 3163.82, 0.00289843/step Wall: 3163.82, 0.00289843/step, 3.14657 hours remaining, 207.984375 MB of memory in use. ENERGY: 1091800 834.3288 2068.2885 1940.2439 115.4495 -206393.8430 17774.6998 0.0000 0.0000 34509.4797 -149151.3528 301.3799 -183660.8325 -149048.6942 300.2660 -217.9438 -185.5943 557661.5101 12.4671 12.3391 PRESSURE: 1092000 -14.1197 -2.16134 109.071 -2.16141 -138.502 5.02974 109.07 5.02951 101.301 GPRESSURE: 1092000 -21.6708 -75.3209 18.0172 -10.5436 -99.9785 11.5416 143.473 30.9024 174.384 PRESSAVG: 1092000 -1.41745 29.7623 21.1457 29.7623 -20.5721 -43.4824 21.1457 -43.4824 8.95401 GPRESSAVG: 1092000 -1.1834 30.1782 22.9332 27.6536 -21.3593 -42.0668 21.1551 -44.5296 9.80907 TIMING: 1092000 CPU: 3164.4, 0.00287813/step Wall: 3164.4, 0.00287813/step, 3.12437 hours remaining, 207.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1092000 794.6306 2119.6142 1980.2040 117.9308 -206412.1346 17909.3814 0.0000 0.0000 34549.6398 -148940.7338 301.7306 -183490.3736 -148838.3168 300.6343 -17.1068 17.5784 558173.1971 -4.3452 -4.2445 PRESSURE: 1092200 -226.682 80.4577 38.3131 80.4576 -197.583 -49.7496 38.3133 -49.7482 25.5409 GPRESSURE: 1092200 -137.797 32.5966 -81.3367 127.695 -164.349 -102.052 75.1513 71.8604 0.977909 PRESSAVG: 1092200 25.694 12.3236 -23.9726 12.3236 9.00764 -62.4576 -23.9726 -62.4575 -14.7155 GPRESSAVG: 1092200 25.191 11.6602 -27.1058 14.4983 10.6773 -64.0179 -22.7249 -61.9274 -15.7421 TIMING: 1092200 CPU: 3164.98, 0.0028836/step Wall: 3164.98, 0.0028836/step, 3.13015 hours remaining, 208.105469 MB of memory in use. ENERGY: 1092200 790.3961 2102.8438 1951.1579 115.1158 -206343.7605 17800.8321 0.0000 0.0000 34469.5955 -149113.8193 301.0316 -183583.4148 -149016.0412 300.5890 -132.9081 -100.3893 558211.1969 6.6620 6.7087 LDB: ============= START OF LOAD BALANCING ============== 3168.36 LDB: ============== END OF LOAD BALANCING =============== 3168.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3168.36 LDB: ============= START OF LOAD BALANCING ============== 3168.65 LDB: Largest compute 4820 load 0.023544 is 20.0% of average load 0.117962 LDB: Average compute 0.001706 is 1.4% of average load 0.117962 LDB: TIME 3168.66 LOAD: AVG 0.117962 MAX 0.185338 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.059 MB LDB: TIME 3168.66 LOAD: AVG 0.117962 MAX 0.185338 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.059 MB LDB: TIME 3168.66 LOAD: AVG 0.117962 MAX 0.185338 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3168.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3168.66 PRESSURE: 1092400 -187.752 128.038 30.9132 128.038 76.7696 -152.06 30.9145 -152.06 -203.122 GPRESSURE: 1092400 -137.808 17.8223 31.9252 80.9704 101.914 -95.0269 76.7344 -197.048 -189.672 PRESSAVG: 1092400 11.2363 -2.46923 -1.53568 -2.46921 28.8735 -14.4927 -1.53568 -14.4925 -28.77 GPRESSAVG: 1092400 12.1863 -3.60397 -0.745484 -2.77344 28.2687 -16.5893 -1.66568 -15.3168 -28.9444 TIMING: 1092400 CPU: 3165.57, 0.00295522/step Wall: 3165.57, 0.00295522/step, 3.20772 hours remaining, 206.570312 MB of memory in use. ENERGY: 1092400 782.9769 2087.0524 1947.9238 124.8634 -206172.6625 17854.9126 0.0000 0.0000 34170.8672 -149204.0662 298.4227 -183374.9334 -149099.7815 299.3615 -104.7013 -75.1886 559029.1959 3.7799 3.8368 PRESSURE: 1092600 -166.782 46.19 -128.119 46.1897 -228.843 61.5654 -128.119 61.5652 -244.357 GPRESSURE: 1092600 -178.555 70.4045 -149.895 49.2497 -214.666 47.596 -42.0359 9.27892 -148.557 PRESSAVG: 1092600 14.6783 1.43006 -57.9792 1.43018 -58.5367 0.665349 -57.9792 0.665454 9.20549 GPRESSAVG: 1092600 14.8597 3.05038 -59.1444 1.18415 -58.6133 2.44247 -58.9004 -0.138962 9.7255 TIMING: 1092600 CPU: 3166.15, 0.00289436/step Wall: 3166.15, 0.00289436/step, 3.14151 hours remaining, 207.031250 MB of memory in use. ENERGY: 1092600 765.7559 2142.8881 1931.2473 113.9693 -205783.3258 17385.7967 0.0000 0.0000 34238.3476 -149205.3210 299.0120 -183443.6686 -149110.2356 299.7026 -213.3277 -180.5926 558270.5832 -11.5510 -11.3427 PRESSURE: 1092800 -78.934 -45.7717 -195.946 -45.7715 148.63 -165.105 -195.947 -165.105 -78.5176 GPRESSURE: 1092800 -40.3532 18.724 -205.055 -18.47 133.56 -122.795 -157.391 -99.73 -2.93508 PRESSAVG: 1092800 62.2924 -4.93353 -18.8345 -4.93351 -72.5765 -29.471 -18.8345 -29.471 23.7137 GPRESSAVG: 1092800 61.0615 -3.55397 -16.52 -5.48706 -72.2189 -30.0984 -18.3518 -28.5017 24.5238 TIMING: 1092800 CPU: 3166.72, 0.00288396/step Wall: 3166.72, 0.00288396/step, 3.13006 hours remaining, 207.031250 MB of memory in use. ENERGY: 1092800 743.3576 2126.5583 1986.1532 120.9961 -206587.9886 18051.4338 0.0000 0.0000 34189.4460 -149370.0437 298.5849 -183559.4897 -149280.7573 299.2859 -2.9407 30.0906 558162.6479 4.4765 4.4555 PRESSURE: 1093000 -33.1004 -5.76871 -118.057 -5.76866 -229.572 104.787 -118.056 104.787 172.307 GPRESSURE: 1093000 -4.3705 28.4885 -164.915 17.5838 -186.861 120.215 -126.888 53.3705 204.113 PRESSAVG: 1093000 22.7901 52.7764 -47.3237 52.7764 -11.965 -29.7667 -47.3237 -29.7668 32.1886 GPRESSAVG: 1093000 23.0659 51.3062 -48.5374 53.4928 -11.4078 -26.9076 -48.9479 -32.4616 31.3516 TIMING: 1093000 CPU: 3167.3, 0.00290472/step Wall: 3167.3, 0.00290472/step, 3.15242 hours remaining, 207.066406 MB of memory in use. ENERGY: 1093000 735.9930 2132.8152 1915.6185 108.2082 -206057.9679 17749.6551 0.0000 0.0000 34191.6084 -149224.0694 298.6038 -183415.6778 -149133.0810 299.0055 -30.1217 4.2938 559334.1525 14.3379 14.3366 PRESSURE: 1093200 165.444 -230.683 -41.4318 -230.682 169.038 -107.229 -41.432 -107.228 -33.053 GPRESSURE: 1093200 240.208 -313.134 -10.9857 -197.827 197.211 -134.684 -52.5426 75.8394 -41.6467 PRESSAVG: 1093200 14.7808 40.0209 29.6319 40.0208 -64.574 42.5228 29.632 42.5228 48.931 GPRESSAVG: 1093200 15.3127 38.4672 31.7353 41.7224 -66.3609 39.3595 31.2892 45.8244 49.8839 TIMING: 1093200 CPU: 3167.89, 0.00291937/step Wall: 3167.89, 0.00291937/step, 3.16817 hours remaining, 207.066406 MB of memory in use. ENERGY: 1093200 745.3588 2124.0767 1949.5331 108.0839 -206219.1991 18002.6957 0.0000 0.0000 34242.7917 -149046.6592 299.0508 -183289.4509 -148952.3247 298.8899 100.4762 131.9241 558483.9609 -0.2874 -0.3881 PRESSURE: 1093400 -18.6374 79.3041 -157.407 79.3051 75.1542 -36.8861 -157.408 -36.8841 32.5474 GPRESSURE: 1093400 -39.5542 125.714 -212.089 11.9357 97.7023 -23.062 -64.3405 -46.2762 121.003 PRESSAVG: 1093400 17.1562 26.3338 8.93015 26.3338 -6.4933 -19.2847 8.93009 -19.2848 2.35322 GPRESSAVG: 1093400 18.0035 28.4968 8.66032 23.0264 -5.52642 -18.9882 6.95734 -19.1985 1.09338 TIMING: 1093400 CPU: 3168.48, 0.00293788/step Wall: 3168.48, 0.00293788/step, 3.18808 hours remaining, 207.066406 MB of memory in use. ENERGY: 1093400 751.2656 2172.5758 1961.7140 117.4525 -206022.6053 17811.3599 0.0000 0.0000 34072.3823 -149135.8552 297.5626 -183208.2374 -149043.3921 299.6898 29.6881 59.7171 558080.7454 4.3387 4.5235 PRESSURE: 1093600 227.301 -11.2675 -56.7281 -11.2674 -57.3029 37.9358 -56.7277 37.9353 -88.1025 GPRESSURE: 1093600 205.045 -31.563 -19.1451 25.504 -33.6856 -99.7115 -99.9722 177.18 0.96923 PRESSAVG: 1093600 48.7442 -7.898 -27.051 -7.89799 -49.2834 -13.3554 -27.051 -13.3554 -20.0174 GPRESSAVG: 1093600 48.432 -10.6484 -28.4303 -5.10184 -48.567 -12.24 -26.585 -12.9494 -20.0477 TIMING: 1093600 CPU: 3169.06, 0.0029409/step Wall: 3169.06, 0.0029409/step, 3.1912 hours remaining, 207.066406 MB of memory in use. ENERGY: 1093600 716.1425 2143.7469 1935.8784 121.0791 -206203.0899 17975.2655 0.0000 0.0000 34202.4652 -149108.5124 298.6986 -183310.9775 -149014.3561 298.7458 27.2984 57.4427 559602.4692 -6.8522 -6.7276 PRESSURE: 1093800 -48.944 -200.348 87.851 -200.348 -83.5921 103.475 87.8523 103.474 -201.598 GPRESSURE: 1093800 -41.4505 -202.422 83.005 -239.624 -30.5321 162.542 123.51 88.6866 -166.622 PRESSAVG: 1093800 -35.0919 -37.4187 -56.9899 -37.4186 52.5371 6.80694 -56.9899 6.80688 -6.17847 GPRESSAVG: 1093800 -34.568 -37.0928 -56.3332 -37.3734 51.5152 6.12868 -56.0754 4.9748 -6.28023 TIMING: 1093800 CPU: 3169.65, 0.00291296/step Wall: 3169.65, 0.00291297/step, 3.16073 hours remaining, 207.066406 MB of memory in use. ENERGY: 1093800 759.4220 2124.1332 1966.2594 98.6357 -206187.4416 17820.1432 0.0000 0.0000 34335.1169 -149083.7310 299.8571 -183418.8480 -148985.7822 299.2966 -111.3779 -79.5347 559562.7186 3.7556 3.5557 PRESSURE: 1094000 -78.9831 -106.247 36.263 -106.245 -11.6423 87.201 36.2637 87.2013 129.204 GPRESSURE: 1094000 -23.8013 -126.726 123.593 -68.2509 16.2824 105.218 1.89848 105.224 132.573 PRESSAVG: 1094000 -81.474 9.92473 11.7459 9.92467 -9.1154 3.61366 11.7459 3.61347 64.9148 GPRESSAVG: 1094000 -82.349 10.8131 11.3935 10.5563 -9.17296 5.43959 12.3085 4.74842 65.6146 TIMING: 1094000 CPU: 3170.23, 0.00292932/step Wall: 3170.23, 0.00292932/step, 3.17831 hours remaining, 207.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1094000 732.9631 2127.4849 1969.9586 114.5535 -206172.6187 17862.5684 0.0000 0.0000 34245.9204 -149119.1697 299.0781 -183365.0901 -149023.3217 299.1920 12.8597 41.6849 558270.5164 -8.5582 -8.6358 PRESSURE: 1094200 -42.8894 59.4513 -22.0671 59.4507 62.0867 21.9079 -22.0677 21.9052 87.8112 GPRESSURE: 1094200 3.60092 32.2548 2.36116 48 111.052 29.9716 -45.3661 6.42722 98.6676 PRESSAVG: 1094200 -42.1889 30.7323 2.94653 30.7323 54.8932 50.3331 2.94644 50.3331 17.4517 GPRESSAVG: 1094200 -41.0817 29.853 2.58559 30.6416 54.5735 50.4251 1.93294 48.7767 16.2611 TIMING: 1094200 CPU: 3170.82, 0.00291867/step Wall: 3170.82, 0.00291867/step, 3.16659 hours remaining, 207.066406 MB of memory in use. ENERGY: 1094200 749.0844 1989.5508 1952.8154 120.3735 -206223.9169 17806.4119 0.0000 0.0000 34379.6480 -149226.0330 300.2460 -183605.6810 -149131.2663 299.2476 35.6695 71.1068 557789.5984 10.0520 9.9176 PRESSURE: 1094400 -132.184 -67.5222 -129.781 -67.5242 -184.486 -282.741 -129.78 -282.741 -143.501 GPRESSURE: 1094400 -111.852 58.6219 -90.1675 -185.905 -178.215 -197.665 -119.014 -319.99 -68.9002 PRESSAVG: 1094400 -42.3022 0.345314 24.2402 0.345272 42.465 -54.1686 24.2401 -54.1685 -2.89581 GPRESSAVG: 1094400 -44.1279 1.55598 24.6705 -0.106646 42.9474 -54.0685 24.5194 -53.5465 -1.48426 TIMING: 1094400 CPU: 3171.4, 0.00293532/step Wall: 3171.4, 0.00293532/step, 3.1845 hours remaining, 207.066406 MB of memory in use. ENERGY: 1094400 699.1165 2127.1797 1945.2641 121.5645 -206005.7254 17696.8416 0.0000 0.0000 34158.7914 -149256.9676 298.3172 -183415.7590 -149162.6715 299.4809 -153.3903 -119.6558 558090.6345 -0.9110 -0.8883 PRESSURE: 1094600 -2.83968 -67.9579 -19.1412 -67.9589 -333.457 -105.385 -19.1403 -105.385 -218.113 GPRESSURE: 1094600 44.9872 -64.3965 61.5626 -97.2901 -353.917 -47.9039 -78.9152 -127.674 -153.009 PRESSAVG: 1094600 -9.81659 0.498993 79.1703 0.499066 -14.0373 -41.3163 79.1702 -41.3162 7.94108 GPRESSAVG: 1094600 -8.7781 1.07633 77.2983 -0.805043 -15.2007 -42.1873 82.4382 -40.7217 8.18537 TIMING: 1094600 CPU: 3171.99, 0.00291653/step Wall: 3171.99, 0.00291653/step, 3.16395 hours remaining, 207.066406 MB of memory in use. ENERGY: 1094600 731.8468 2053.4119 1953.3292 119.2111 -205884.2592 17568.5466 0.0000 0.0000 34269.9600 -149187.9537 299.2881 -183457.9137 -149089.4049 299.0436 -184.8034 -153.9797 557964.3547 -5.3043 -5.2645 PRESSURE: 1094800 252.321 -301.389 205.79 -301.39 72.1318 -145.912 205.79 -145.912 -84.0463 GPRESSURE: 1094800 252.48 -283.115 153.043 -293.367 150.898 -202.515 152.272 -93.0007 -46.0012 PRESSAVG: 1094800 5.8016 -16.1924 81.1922 -16.1925 -32.2483 17.9936 81.1922 17.9935 22.4442 GPRESSAVG: 1094800 5.15258 -16.1923 81.6069 -16.8383 -31.1832 17.7823 80.0863 16.6721 21.5197 TIMING: 1094800 CPU: 3172.57, 0.00290638/step Wall: 3172.57, 0.00290638/step, 3.15278 hours remaining, 207.121094 MB of memory in use. ENERGY: 1094800 742.9165 2071.3194 1933.6163 123.3230 -206070.0692 17758.8124 0.0000 0.0000 34390.5554 -149049.5261 300.3413 -183440.0815 -148953.1863 298.8065 80.1354 119.1254 555936.8327 -1.3342 -1.5036 PRESSURE: 1095000 -41.5852 72.1075 143.767 72.1082 8.48673 -75.5555 143.768 -75.5558 45.4596 GPRESSURE: 1095000 -23.9467 -4.46186 165.752 134.294 34.9945 -64.5793 52.7268 -10.6299 106.905 PRESSAVG: 1095000 12.1361 -18.6944 4.5391 -18.6945 -37.8105 13.3022 4.53912 13.3022 43.4615 GPRESSAVG: 1095000 12.4195 -18.2107 5.60622 -18.2959 -38.6914 14.4227 4.13513 13.9215 43.907 TIMING: 1095000 CPU: 3173.14, 0.00287941/step Wall: 3173.14, 0.00287941/step, 3.12336 hours remaining, 207.121094 MB of memory in use. ENERGY: 1095000 757.1514 2140.5044 1921.0020 111.9218 -206050.9819 17845.0522 0.0000 0.0000 34377.2767 -148898.0735 300.2253 -183275.3502 -148806.9218 299.8587 4.1204 39.3176 556873.2703 5.9290 5.8784 PRESSURE: 1095200 0.192869 115.24 67.6248 115.24 -14.7497 9.15978 67.6244 9.15847 279.536 GPRESSURE: 1095200 42.2817 62.0997 31.6014 93.3472 63.4361 -49.6567 59.0179 38.136 258.566 PRESSAVG: 1095200 6.34379 -46.2862 32.2149 -46.2862 -24.6011 -17.5078 32.2148 -17.5078 -14.3546 GPRESSAVG: 1095200 6.50011 -45.0754 32.0912 -49.6507 -24.0313 -19.6793 31.0056 -14.9634 -15.2544 TIMING: 1095200 CPU: 3173.72, 0.0028956/step Wall: 3173.72, 0.0028956/step, 3.14076 hours remaining, 207.121094 MB of memory in use. ENERGY: 1095200 736.2562 2134.5321 1949.5737 107.4301 -205599.8613 17702.2012 0.0000 0.0000 34099.4939 -148870.3740 297.7994 -182969.8679 -148768.2089 300.0767 88.3263 121.4279 557701.4030 -10.8706 -10.9285 PRESSURE: 1095400 -35.541 118.441 44.146 118.441 -104.98 -97.1316 44.1463 -97.1312 65.5417 GPRESSURE: 1095400 30.4264 -1.31217 -30.7332 144.64 -128.463 -49.7025 159.814 -161.004 119.895 PRESSAVG: 1095400 -22.1526 -35.3658 3.46408 -35.3659 64.7182 -53.1886 3.46416 -53.1885 -8.0874 GPRESSAVG: 1095400 -22.0668 -37.1552 4.04343 -32.2278 63.8858 -51.7998 3.75919 -52.9612 -7.51036 TIMING: 1095400 CPU: 3174.3, 0.00290768/step Wall: 3174.3, 0.00290768/step, 3.1537 hours remaining, 207.121094 MB of memory in use. ENERGY: 1095400 764.7101 2068.4604 1988.9894 105.7713 -205827.9119 17609.0564 0.0000 0.0000 34444.0328 -148846.8914 300.8083 -183290.9242 -148750.6475 299.9953 -24.9933 7.2860 556177.5825 11.4927 11.4362 PRESSURE: 1095600 -161.162 50.2959 -61.9154 50.2956 173.475 119.145 -61.9149 119.146 264.8 GPRESSURE: 1095600 -103.006 -2.2904 28.5163 65.9273 178.772 83.6918 -37.8676 209.131 298.361 PRESSAVG: 1095600 56.1686 7.3601 42.6907 7.36016 -5.77669 -39.2434 42.6907 -39.2433 -0.974546 GPRESSAVG: 1095600 57.593 7.5506 39.2048 8.77344 -5.86603 -40.6117 42.1114 -39.8784 -2.32849 TIMING: 1095600 CPU: 3174.88, 0.00289509/step Wall: 3174.88, 0.00289509/step, 3.13989 hours remaining, 207.121094 MB of memory in use. ENERGY: 1095600 761.8465 2118.3662 1962.5722 113.2960 -206178.1033 17863.2624 0.0000 0.0000 34326.4079 -149032.3520 299.7811 -183358.7599 -148930.7889 300.6183 92.3712 124.7088 556059.7934 16.4725 16.4662 PRESSURE: 1095800 -266.94 -181.14 40.9054 -181.139 -316.974 66.077 40.9054 66.0773 -273.762 GPRESSURE: 1095800 -256.011 -233.893 110.097 -171.155 -247.532 59.839 61.69 46.5263 -264.013 PRESSAVG: 1095800 25.9703 24.7182 -34.3784 24.7182 -51.7243 57.845 -34.3784 57.845 8.96544 GPRESSAVG: 1095800 25.7495 22.9335 -32.5852 25.0061 -51.124 59.5119 -32.5751 57.7404 7.93619 TIMING: 1095800 CPU: 3175.46, 0.00290509/step Wall: 3175.46, 0.00290509/step, 3.15057 hours remaining, 207.121094 MB of memory in use. ENERGY: 1095800 763.1986 2084.0884 1930.0539 108.8958 -205548.8541 17440.8604 0.0000 0.0000 34156.9179 -149064.8392 298.3009 -183221.7570 -148973.3127 299.4451 -285.8919 -255.8517 559261.9143 -5.5962 -5.8128 PRESSURE: 1096000 47.3019 -73.4123 29.384 -73.4123 -160.922 -67.5968 29.3846 -67.5988 -122.317 GPRESSURE: 1096000 66.6546 -88.7062 -57.6691 39.572 -147.438 -132.096 -4.25988 51.9086 -63.5602 PRESSAVG: 1096000 -31.863 -10.6823 42.9508 -10.6823 13.3274 -31.7283 42.9508 -31.7284 24.9089 GPRESSAVG: 1096000 -33.1271 -7.89511 44.903 -11.5966 13.4976 -30.3052 41.9176 -30.7466 26.0767 TIMING: 1096000 CPU: 3176.04, 0.00289776/step Wall: 3176.04, 0.00289776/step, 3.14246 hours remaining, 207.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1096000 754.5046 2101.3762 1937.7305 119.5576 -205854.6576 17478.4328 0.0000 0.0000 34320.2082 -149142.8477 299.7269 -183463.0560 -149037.0582 299.3909 -78.6456 -48.1144 557236.2904 2.1244 2.1490 PRESSURE: 1096200 -60.8025 -38.2021 -208.953 -38.2025 -73.9663 156.446 -208.953 156.444 -250.203 GPRESSURE: 1096200 -32.9369 -33.3862 -172.776 -28.4885 -11.8034 137.238 -151.346 160.779 -244.498 PRESSAVG: 1096200 13.4584 -63.9636 52.3324 -63.9636 12.6073 -52.6165 52.3324 -52.6164 -13.0612 GPRESSAVG: 1096200 13.4623 -64.8099 52.6397 -65.0907 13.9833 -54.6353 52.3226 -53.7957 -14.1496 TIMING: 1096200 CPU: 3176.63, 0.0029197/step Wall: 3176.63, 0.0029197/step, 3.16609 hours remaining, 207.121094 MB of memory in use. ENERGY: 1096200 742.6430 2107.3213 1947.5109 113.6528 -205835.2164 17433.0018 0.0000 0.0000 34523.0414 -148968.0451 301.4983 -183491.0865 -148869.5984 300.0135 -128.3238 -96.4128 558250.8571 4.3348 4.4320 LDB: ============= START OF LOAD BALANCING ============== 3180.01 LDB: ============== END OF LOAD BALANCING =============== 3180.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3180.02 LDB: ============= START OF LOAD BALANCING ============== 3180.31 LDB: Largest compute 4820 load 0.024173 is 20.5% of average load 0.118019 LDB: Average compute 0.001704 is 1.4% of average load 0.118019 LDB: TIME 3180.31 LOAD: AVG 0.118019 MAX 0.181099 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.059 MB LDB: TIME 3180.31 LOAD: AVG 0.118019 MAX 0.181099 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.059 MB LDB: TIME 3180.31 LOAD: AVG 0.118019 MAX 0.181099 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3180.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3180.31 PRESSURE: 1096400 -138.479 -78.9575 -146.204 -78.9574 -178.636 45.7017 -146.205 45.7017 -535.044 GPRESSURE: 1096400 -117.763 -38.0668 -175.859 -143.124 -137.225 -20.5681 -168.438 56.6955 -504.233 PRESSAVG: 1096400 -33.692 -63.789 -48.6639 -63.789 53.9383 -15.4072 -48.6639 -15.4073 -1.09323 GPRESSAVG: 1096400 -33.1793 -63.8932 -49.0474 -62.9458 52.6038 -15.8481 -50.0347 -13.724 -0.536173 TIMING: 1096400 CPU: 3177.22, 0.00295879/step Wall: 3177.22, 0.00295879/step, 3.20832 hours remaining, 206.320312 MB of memory in use. ENERGY: 1096400 797.1093 2109.0462 1940.1701 119.2953 -205795.8712 17374.9536 0.0000 0.0000 34401.0390 -149054.2576 300.4328 -183455.2966 -148960.5078 300.1471 -284.0530 -253.0739 558010.4193 6.3844 6.2961 PRESSURE: 1096600 194.403 -29.1373 -3.59897 -29.137 -188.425 -58.0892 -3.59952 -58.0898 -10.6895 GPRESSURE: 1096600 208.582 0.159748 -7.0436 -22.7743 -144.89 -99.0278 -61.0644 -86.3603 35.0575 PRESSAVG: 1096600 4.99863 -74.5313 -15.1553 -74.5313 47.3008 -33.9453 -15.1553 -33.9452 -100.706 GPRESSAVG: 1096600 5.56919 -75.3983 -15.2854 -73.1048 46.7682 -33.1071 -15.6978 -33.0732 -100.826 TIMING: 1096600 CPU: 3177.8, 0.00289057/step Wall: 3177.8, 0.00289057/step, 3.13418 hours remaining, 206.320312 MB of memory in use. ENERGY: 1096600 759.5901 2115.5856 1981.5519 134.2045 -206510.3642 17883.1162 0.0000 0.0000 34293.4583 -149342.8575 299.4933 -183636.3158 -149243.7961 299.2226 -1.5705 32.9165 557562.8723 -16.1354 -16.1628 PRESSURE: 1096800 75.4375 -103.531 -251.692 -103.531 246.471 -10.5125 -251.692 -10.5103 -236.857 GPRESSURE: 1096800 74.9474 -162.757 -193.14 -87.9421 314.288 -50.2809 -178.871 57.5227 -205.151 PRESSAVG: 1096800 -0.595737 -60.9518 23.4146 -60.9519 45.5861 -38.4123 23.4146 -38.4123 -19.6698 GPRESSAVG: 1096800 -2.3475 -58.0254 23.3153 -63.788 46.1737 -39.6471 25.0471 -40.2516 -18.4299 TIMING: 1096800 CPU: 3178.37, 0.00288554/step Wall: 3178.37, 0.00288554/step, 3.12857 hours remaining, 206.320312 MB of memory in use. ENERGY: 1096800 736.0080 2147.6878 1960.2461 125.3962 -206362.9474 17963.7323 0.0000 0.0000 34114.7109 -149315.1661 297.9323 -183429.8769 -149221.7794 298.8846 28.3505 61.3613 557550.7064 8.4402 8.4654 PRESSURE: 1097000 131.178 22.6843 -67.0513 22.6833 12.1518 -16.1891 -67.0516 -16.1908 -165.987 GPRESSURE: 1097000 181.852 76.5626 -127.106 83.3328 35.3255 -44.9273 -63.7853 -49.2388 -144.777 PRESSAVG: 1097000 68.1578 12.6657 -21.3124 12.6657 -6.71882 38.9485 -21.3124 38.9485 -113.818 GPRESSAVG: 1097000 68.1944 10.6095 -20.0051 15.2632 -6.12092 41.3183 -24.2355 38.5969 -114.391 TIMING: 1097000 CPU: 3178.96, 0.00290314/step Wall: 3178.96, 0.00290314/step, 3.14749 hours remaining, 206.320312 MB of memory in use. ENERGY: 1097000 782.8946 2067.3396 1968.5918 104.7666 -206326.9257 17730.2571 0.0000 0.0000 34365.0014 -149308.0747 300.1181 -183673.0761 -149213.3843 299.0583 -7.5525 24.1336 555716.8836 -17.4597 -17.4391 PRESSURE: 1097200 -250.375 12.6472 -135.861 12.6462 -232.215 79.5352 -135.861 79.5365 -269.728 GPRESSURE: 1097200 -133.978 15.2599 -197.814 37.367 -283.227 51.8448 -206.912 74.8209 -234.923 PRESSAVG: 1097200 69.9608 8.2191 -21.3312 8.21922 -4.46937 45.6493 -21.3312 45.6492 -74.8348 GPRESSAVG: 1097200 70.6354 8.71273 -22.6217 6.76267 -4.87328 44.73 -20.7089 44.8193 -74.8124 TIMING: 1097200 CPU: 3179.54, 0.00292859/step Wall: 3179.54, 0.00292859/step, 3.17491 hours remaining, 206.320312 MB of memory in use. ENERGY: 1097200 773.5457 2150.8821 1914.6677 123.4736 -206034.1840 17637.6643 0.0000 0.0000 34167.3940 -149266.5566 298.3923 -183433.9506 -149166.3963 299.5821 -250.7725 -217.3761 557752.1310 -3.1144 -3.0168 PRESSURE: 1097400 -316.726 289.32 120.312 289.319 -204.068 12.132 120.312 12.1316 -138.403 GPRESSURE: 1097400 -278.063 266.158 139.845 216.371 -228.005 14.449 108.446 96.6859 -66.2151 PRESSAVG: 1097400 44.2876 36.5767 -32.178 36.5768 -51.87 39.9839 -32.1781 39.9838 2.10314 GPRESSAVG: 1097400 44.1706 36.1131 -32.8674 38.2393 -51.3332 38.7301 -29.1791 43.0641 1.95885 TIMING: 1097400 CPU: 3180.12, 0.00288445/step Wall: 3180.12, 0.00288445/step, 3.1269 hours remaining, 206.320312 MB of memory in use. ENERGY: 1097400 742.5020 2119.3318 1957.3822 117.3147 -206023.3610 17515.2515 0.0000 0.0000 34332.2964 -149239.2825 299.8325 -183571.5789 -149147.9120 299.1691 -219.7325 -190.7609 556447.9412 -1.8264 -1.7346 PRESSURE: 1097600 120.902 -36.3424 -69.6797 -36.3432 175.985 -59.7948 -69.6806 -59.7946 403.044 GPRESSURE: 1097600 170.804 -70.3877 -58.7404 -12.3999 219.135 9.46477 -29.1535 -89.8961 409.117 PRESSAVG: 1097600 -21.1735 13.0612 46.0653 13.0612 3.63188 -8.30002 46.0653 -8.30012 30.6698 GPRESSAVG: 1097600 -20.4345 13.35 45.5783 12.6496 3.63482 -4.2039 45.502 -11.6567 30.5568 TIMING: 1097600 CPU: 3180.7, 0.00290904/step Wall: 3180.7, 0.00290904/step, 3.1534 hours remaining, 206.320312 MB of memory in use. ENERGY: 1097600 723.7174 2121.9975 1946.5369 119.8010 -206321.7238 17899.8221 0.0000 0.0000 34268.3721 -149241.4768 299.2742 -183509.8489 -149149.0086 299.3061 233.3106 266.3519 554598.8484 4.3761 4.5857 PRESSURE: 1097800 220.593 -142.082 31.203 -142.083 7.18077 148.521 31.2019 148.52 -295.684 GPRESSURE: 1097800 264.619 -163.63 23.1827 -155.405 10.3525 134.479 42.7441 138.869 -254.27 PRESSAVG: 1097800 77.7089 6.37668 -6.54982 6.37669 -36.3863 58.5988 -6.5498 58.5988 -32.7136 GPRESSAVG: 1097800 77.6183 5.62496 -6.76945 5.03091 -36.2578 55.3871 -6.60104 59.166 -32.2954 TIMING: 1097800 CPU: 3181.28, 0.00288705/step Wall: 3181.28, 0.00288705/step, 3.1294 hours remaining, 206.320312 MB of memory in use. ENERGY: 1097800 745.6681 2154.8277 1952.8066 112.4910 -206537.9723 17879.6708 0.0000 0.0000 34276.3149 -149416.1930 299.3436 -183692.5080 -149319.9519 299.5026 -22.6367 6.9004 556604.8052 2.8696 3.0217 PRESSURE: 1098000 66.561 29.7058 24.3064 29.706 34.0332 -40.999 24.3065 -40.9989 -249.594 GPRESSURE: 1098000 95.2829 127.281 97.5176 -39.1316 66.7759 22.8926 8.61464 -85.6311 -221.799 PRESSAVG: 1098000 19.7055 32.586 43.046 32.5861 29.9191 3.07027 43.046 3.07017 -43.3893 GPRESSAVG: 1098000 19.28 34.0384 44.6487 33.4037 29.3688 4.12325 40.4004 4.23579 -41.9717 TIMING: 1098000 CPU: 3181.85, 0.00288505/step Wall: 3181.85, 0.00288505/step, 3.12708 hours remaining, 206.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1098000 743.6514 2156.1107 1953.7446 110.0951 -206442.9210 17813.0284 0.0000 0.0000 34156.4682 -149509.8226 298.2969 -183666.2908 -149416.8638 298.8007 -49.6667 -19.9135 556676.1025 2.0784 2.2257 PRESSURE: 1098200 -290.805 -10.3317 -159.733 -10.3325 -293.975 -146.66 -159.733 -146.66 -80.9701 GPRESSURE: 1098200 -251.001 -40.5007 -180.306 -31.9398 -302.114 -220.056 -171.087 -115.396 -3.15188 PRESSAVG: 1098200 -6.73204 3.24188 -24.564 3.24191 -23.7672 -69.9531 -24.5641 -69.9532 24.4216 GPRESSAVG: 1098200 -6.37339 2.37257 -26.7145 4.09638 -23.0555 -69.5476 -22.7661 -70.5386 23.0154 TIMING: 1098200 CPU: 3182.43, 0.00289963/step Wall: 3182.43, 0.00289963/step, 3.14271 hours remaining, 206.320312 MB of memory in use. ENERGY: 1098200 762.9271 2066.9396 1963.1487 108.2004 -205887.1823 17423.9885 0.0000 0.0000 34194.1230 -149367.8549 298.6258 -183561.9779 -149272.2554 298.5963 -221.9166 -185.4221 558069.6072 -2.0259 -2.1378 PRESSURE: 1098400 -182.195 -0.356996 -42.0983 -0.355847 -160.678 28.1042 -42.0983 28.1053 -12.478 GPRESSURE: 1098400 -174.917 -79.8302 40.6137 3.34592 -118.401 -2.95415 -34.4238 92.4801 30.1832 PRESSAVG: 1098400 -28.4661 24.9546 26.0729 24.9547 17.5829 -38.6818 26.0729 -38.6817 -36.0129 GPRESSAVG: 1098400 -28.9334 25.5985 28.6028 23.0882 17.6057 -39.1088 26.6753 -37.4369 -35.5361 TIMING: 1098400 CPU: 3183.01, 0.00289973/step Wall: 3183.01, 0.00289973/step, 3.14266 hours remaining, 206.355469 MB of memory in use. ENERGY: 1098400 785.7605 2151.8414 1931.7021 120.0359 -206000.8067 17583.6571 0.0000 0.0000 34095.7043 -149332.1054 297.7663 -183427.8097 -149237.6152 298.7000 -118.4504 -87.7116 557042.6004 -15.6320 -15.6213 PRESSURE: 1098600 75.2025 -43.3818 94.3162 -43.3812 -1.66183 -111.142 94.3153 -111.143 63.6432 GPRESSURE: 1098600 80.0349 -94.9614 53.5279 39.7643 25.4115 -62.3519 122.477 -132.629 119.571 PRESSAVG: 1098600 10.9071 69.9083 -17.4351 69.9083 29.0782 18.2048 -17.435 18.2048 3.73703 GPRESSAVG: 1098600 10.3811 68.6037 -19.6682 73.0339 30.6856 17.7341 -17.1598 13.8774 3.60158 TIMING: 1098600 CPU: 3183.59, 0.00289396/step Wall: 3183.59, 0.00289396/step, 3.13625 hours remaining, 206.355469 MB of memory in use. ENERGY: 1098600 729.7264 2137.1899 1954.5762 119.8152 -206291.5543 17888.7639 0.0000 0.0000 34165.4042 -149296.0785 298.3750 -183461.4827 -149194.3875 298.8407 45.7280 75.0057 557707.1755 14.5741 14.8894 PRESSURE: 1098800 88.4306 -95.6047 20.5392 -95.6051 -232.485 8.63639 20.5407 8.63503 -236.246 GPRESSURE: 1098800 106.18 -71.4256 -6.33594 -92.6755 -167.672 84.4973 41.1812 51.4389 -216.232 PRESSAVG: 1098800 -13.3327 14.8358 10.2345 14.836 18.4172 4.58227 10.2345 4.58228 -23.8842 GPRESSAVG: 1098800 -12.5614 16.6149 12.3888 11.8893 18.069 5.70151 9.53014 8.59529 -23.9415 TIMING: 1098800 CPU: 3184.18, 0.00292899/step Wall: 3184.18, 0.00292899/step, 3.17405 hours remaining, 206.355469 MB of memory in use. ENERGY: 1098800 752.7197 2140.8450 1920.5821 117.0846 -205896.6521 17559.6630 0.0000 0.0000 34199.4711 -149206.2866 298.6725 -183405.7577 -149107.8859 299.2190 -126.7668 -92.5747 556999.9160 -6.2665 -6.1446 PRESSURE: 1099000 -19.4995 38.4046 -43.2147 38.4064 149.554 -118.99 -43.2154 -118.99 -184.698 GPRESSURE: 1099000 -6.03882 73.2223 -127.729 120.252 167.961 -122.796 -14.1338 -177.462 -134.03 PRESSAVG: 1099000 97.7358 14.912 -28.9821 14.9121 -48.04 -5.30446 -28.9822 -5.30461 -41.1605 GPRESSAVG: 1099000 98.5222 14.6081 -30.6588 16.0041 -48.8939 -5.68619 -30.1481 -7.3661 -41.3691 TIMING: 1099000 CPU: 3184.76, 0.0029162/step Wall: 3184.76, 0.0029162/step, 3.16002 hours remaining, 206.355469 MB of memory in use. ENERGY: 1099000 752.6304 2049.2789 1960.5990 119.7952 -206489.1922 17949.2592 0.0000 0.0000 34378.4344 -149279.1950 300.2354 -183657.6294 -149176.7982 299.0951 -18.2145 9.2973 557642.1757 2.8451 2.7531 PRESSURE: 1099200 -174.376 -14.7235 20.8134 -14.7243 -223.852 -21.6746 20.8136 -21.6754 41.3736 GPRESSURE: 1099200 -82.3987 44.3057 -27.6415 -12.6397 -214.516 -49.5662 5.48014 -7.70123 38.1105 PRESSAVG: 1099200 -12.1821 27.6451 -11.788 27.645 22.9991 -11.2478 -11.788 -11.2478 30.3305 GPRESSAVG: 1099200 -11.3039 27.4201 -11.3088 25.8498 22.1129 -10.2508 -10.3636 -11.4521 30.4809 TIMING: 1099200 CPU: 3185.34, 0.00291017/step Wall: 3185.34, 0.00291017/step, 3.15333 hours remaining, 206.355469 MB of memory in use. ENERGY: 1099200 790.2343 2162.9045 1933.1552 113.5677 -206459.6262 17680.1508 0.0000 0.0000 34388.1964 -149391.4172 300.3207 -183779.6137 -149302.3408 299.6637 -118.9515 -86.2681 556048.9820 13.7158 13.7633 PRESSURE: 1099400 -21.8364 -5.93734 136.897 -5.93722 -51.3643 33.4026 136.897 33.4032 99.9518 GPRESSURE: 1099400 52.2027 -25.4787 166.761 5.5005 -25.4494 96.0205 125.843 -0.365754 77.8522 PRESSAVG: 1099400 37.6688 3.42207 -20.3352 3.42211 -7.81664 -39.3342 -20.3352 -39.3341 -16.1984 GPRESSAVG: 1099400 36.5166 2.03682 -18.4614 4.52756 -7.00677 -40.7052 -20.4267 -39.2129 -15.6996 TIMING: 1099400 CPU: 3185.92, 0.00290161/step Wall: 3185.92, 0.00290161/step, 3.14389 hours remaining, 206.355469 MB of memory in use. ENERGY: 1099400 759.4672 2119.9192 1959.0238 121.1483 -206346.8389 17831.8812 0.0000 0.0000 34126.2384 -149429.1608 298.0329 -183555.3993 -149326.8571 298.8954 8.9170 34.8685 556313.7284 4.5513 4.6034 PRESSURE: 1099600 77.8886 53.044 -96.9149 53.0452 -140.414 -4.74689 -96.914 -4.74601 -154.361 GPRESSURE: 1099600 142.012 20.1136 -101.406 163.935 -95.2083 -23.4561 -35.9887 55.0936 -163.655 PRESSAVG: 1099600 -26.215 24.5628 38.1202 24.5629 15.2134 36.2779 38.1202 36.278 -1.92162 GPRESSAVG: 1099600 -26.1147 26.0289 39.3802 25.7299 16.0295 36.4744 38.014 35.9478 -2.29839 TIMING: 1099600 CPU: 3186.5, 0.00290453/step Wall: 3186.5, 0.00290453/step, 3.1469 hours remaining, 206.355469 MB of memory in use. ENERGY: 1099600 779.6377 2122.1522 1936.0714 118.8320 -206223.2831 17772.0372 0.0000 0.0000 34187.7737 -149306.7788 298.5703 -183494.5526 -149211.4390 299.4094 -72.2953 -38.9505 557859.4103 -4.3077 -4.1279 PRESSURE: 1099800 -241.388 -26.0218 -12.5693 -26.0213 -11.0633 -163.739 -12.569 -163.74 -250.347 GPRESSURE: 1099800 -211.023 -6.33677 -87.9222 16.457 -0.363693 -187.604 -1.11226 -172.939 -193.181 PRESSAVG: 1099800 -13.3658 52.5297 20.3451 52.5297 6.75387 -55.9572 20.3452 -55.9571 -10.0224 GPRESSAVG: 1099800 -12.3619 51.5376 16.4022 50.3125 5.18653 -56.0643 21.568 -55.5169 -9.81884 TIMING: 1099800 CPU: 3187.08, 0.00288929/step Wall: 3187.08, 0.00288929/step, 3.13022 hours remaining, 206.355469 MB of memory in use. ENERGY: 1099800 768.8343 2099.6845 1945.5782 117.7454 -205979.5197 17657.9660 0.0000 0.0000 34145.3183 -149244.3932 298.1996 -183389.7114 -149145.5948 298.6264 -167.5994 -134.8558 556645.2788 -5.5448 -5.6647 WRITING VELOCITIES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1100000 WRITING COORDINATES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART COORDINATES PRESSURE: 1100000 -27.8181 -108.032 41.2681 -108.032 210.198 -124.574 41.2676 -124.572 -51.9545 GPRESSURE: 1100000 38.9213 -46.4491 -33.5481 -134.871 250.48 -31.0358 86.6833 -177.121 -67.5586 PRESSAVG: 1100000 -66.7904 -5.38067 -21.6084 -5.38071 31.587 -40.515 -21.6083 -40.515 53.2435 GPRESSAVG: 1100000 -68.0932 -2.83891 -20.3191 -4.26048 33.0883 -38.7851 -24.2541 -41.6456 53.4447 TIMING: 1100000 CPU: 3187.67, 0.00295927/step Wall: 3187.67, 0.00295927/step, 3.20588 hours remaining, 206.355469 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: 1100000 748.6715 2129.2128 1948.9839 105.0678 -206424.6706 17838.7170 0.0000 0.0000 34322.1316 -149331.8859 299.7437 -183654.0175 -149231.6547 299.1488 43.4751 73.9475 557639.2860 6.0134 6.1466 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 PRESSURE: 1100200 -135.058 92.9035 -43.5574 92.9032 -26.7267 -190.2 -43.5566 -190.2 175.162 GPRESSURE: 1100200 -142.063 61.3519 -127.626 38.3998 -28.1847 -162.186 15.8873 -160.026 269.9 PRESSAVG: 1100200 -5.13239 -18.582 -11.633 -18.5819 -18.655 -7.94794 -11.633 -7.94789 34.0679 GPRESSAVG: 1100200 -5.15552 -20.309 -13.231 -16.968 -18.3016 -9.17381 -10.0254 -6.09632 33.745 TIMING: 1100200 CPU: 3188.25, 0.00289195/step Wall: 3188.25, 0.00289195/step, 3.13279 hours remaining, 206.355469 MB of memory in use. ENERGY: 1100200 766.0020 2093.1646 1922.3440 123.3624 -206202.2458 17788.2978 0.0000 0.0000 34356.4256 -149152.6495 300.0432 -183509.0751 -149046.8994 299.8282 4.4589 33.2177 558501.2585 3.4269 3.4293 LDB: ============= START OF LOAD BALANCING ============== 3191.64 LDB: ============== END OF LOAD BALANCING =============== 3191.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3191.64 LDB: ============= START OF LOAD BALANCING ============== 3191.93 LDB: Largest compute 4820 load 0.023935 is 20.3% of average load 0.118001 LDB: Average compute 0.001715 is 1.5% of average load 0.118001 LDB: TIME 3191.94 LOAD: AVG 0.118001 MAX 0.181994 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.09 MB LDB: TIME 3191.94 LOAD: AVG 0.118001 MAX 0.181994 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: TIME 3191.94 LOAD: AVG 0.118001 MAX 0.181994 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3191.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3191.94 PRESSURE: 1100400 -101.03 -110.084 -57.4636 -110.084 -334.52 -79.2937 -57.4638 -79.2945 92.586 GPRESSURE: 1100400 -44.2925 -89.4151 -46.2996 -53.27 -337.711 -27.9038 -5.82633 -24.7439 134.718 PRESSAVG: 1100400 -90.8759 -14.9248 3.42027 -14.9249 -26.1083 -3.5139 3.42025 -3.51389 122.8 GPRESSAVG: 1100400 -89.8802 -13.675 4.64381 -17.7845 -26.7914 -3.50797 4.27551 -4.14209 122.577 TIMING: 1100400 CPU: 3188.85, 0.00296685/step Wall: 3188.85, 0.00296685/step, 3.21375 hours remaining, 208.175781 MB of memory in use. ENERGY: 1100400 798.7198 2040.9679 1936.4060 112.7223 -206293.5148 17760.2743 0.0000 0.0000 34289.2750 -149355.1494 299.4568 -183644.4245 -149259.6423 299.2908 -114.3212 -82.4284 557190.8167 1.9386 1.9685 PRESSURE: 1100600 171.153 -11.2851 12.1783 -11.2859 111.453 49.8737 12.1779 49.8723 -88.1127 GPRESSURE: 1100600 217.05 -93.817 29.6523 38.1477 98.8413 105.953 18.5221 53.1749 -31.3829 PRESSAVG: 1100600 63.4997 -39.7346 3.74176 -39.7346 17.6872 -25.1113 3.74178 -25.1111 -80.6463 GPRESSAVG: 1100600 62.6998 -40.0925 4.80029 -37.8826 18.0134 -25.9033 4.40995 -25.9739 -80.2618 TIMING: 1100600 CPU: 3189.43, 0.00290003/step Wall: 3189.43, 0.00290003/step, 3.14121 hours remaining, 208.246094 MB of memory in use. ENERGY: 1100600 734.8745 2079.7817 1887.7536 120.9514 -206435.6626 18046.0856 0.0000 0.0000 34215.6879 -149350.5280 298.8141 -183566.2158 -149257.7484 298.8292 64.8311 94.8361 556432.2863 0.1802 0.1504 PRESSURE: 1100800 17.4249 75.4832 -58.0685 75.4824 40.3282 -143.655 -58.0702 -143.654 70.8279 GPRESSURE: 1100800 60.5304 73.3781 -96.3749 51.9593 113.693 -142.681 -70.1108 -113.879 51.2838 PRESSAVG: 1100800 21.8815 -35.8392 -24.9327 -35.8392 19.027 -40.0788 -24.9328 -40.0789 -16.447 GPRESSAVG: 1100800 22.3108 -36.0953 -24.4984 -37.4371 19.7111 -39.7729 -25.8587 -40.8494 -16.7726 TIMING: 1100800 CPU: 3190.01, 0.00289827/step Wall: 3190.01, 0.00289827/step, 3.13915 hours remaining, 208.246094 MB of memory in use. ENERGY: 1100800 794.4620 2092.2614 1940.4518 116.8316 -206452.2698 17992.5765 0.0000 0.0000 34159.0066 -149356.6800 298.3191 -183515.6866 -149258.8344 299.1431 42.8603 75.1690 557922.3736 8.1538 8.4165 PRESSURE: 1101000 230.417 191.699 45.6048 191.7 96.5051 134.919 45.6041 134.92 301.641 GPRESSURE: 1101000 288.369 166.478 23.0861 158.197 124.784 122.882 45.4081 117.404 309.572 PRESSAVG: 1101000 -61.6642 3.49233 -23.663 3.49226 39.7112 68.6984 -23.6631 68.6983 17.9951 GPRESSAVG: 1101000 -61.179 3.66507 -23.5453 4.3479 38.8519 67.994 -24.9879 68.946 17.966 TIMING: 1101000 CPU: 3190.58, 0.00289247/step Wall: 3190.58, 0.00289247/step, 3.1327 hours remaining, 208.246094 MB of memory in use. ENERGY: 1101000 758.9231 2088.4449 1922.9069 103.4479 -206522.2319 18183.1465 0.0000 0.0000 34171.5864 -149293.7761 298.4290 -183465.3626 -149193.1049 299.0500 209.5208 240.9083 555903.5459 -1.3193 -1.4537 PRESSURE: 1101200 74.8913 46.1537 -189.498 46.1532 -19.8362 27.0621 -189.498 27.0623 -133.189 GPRESSURE: 1101200 158.44 30.8914 -76.6235 116.147 -28.2874 -40.9781 -198.861 74.9413 -108.716 PRESSAVG: 1101200 8.72056 0.974105 16.987 0.974167 14.4016 -3.33292 16.9871 -3.33303 -0.804125 GPRESSAVG: 1101200 7.32904 1.10018 17.663 1.50974 16.0982 -3.42352 17.9667 -3.10791 -1.38402 TIMING: 1101200 CPU: 3191.16, 0.0028936/step Wall: 3191.16, 0.0028936/step, 3.13377 hours remaining, 208.246094 MB of memory in use. ENERGY: 1101200 803.0626 2107.7746 1961.7764 116.8980 -206085.2494 17664.8759 0.0000 0.0000 34074.6472 -149356.2145 297.5824 -183430.8618 -149261.4081 299.0626 -26.0446 7.1456 554616.3489 7.4393 7.3477 PRESSURE: 1101400 -117.346 127.843 24.353 127.842 -103.172 104.814 24.354 104.813 31.849 GPRESSURE: 1101400 -78.0336 84.3705 -30.6988 138.868 -77.5578 95.7996 69.2455 127.164 58.6801 PRESSAVG: 1101400 -17.0084 12.874 12.2322 12.874 30.1911 1.55344 12.2322 1.5535 -1.69889 GPRESSAVG: 1101400 -17.4528 10.6994 10.8739 12.5183 29.6555 3.44871 11.2885 0.959034 -0.968461 TIMING: 1101400 CPU: 3191.74, 0.00287612/step Wall: 3191.74, 0.00287612/step, 3.11468 hours remaining, 208.246094 MB of memory in use. ENERGY: 1101400 740.8837 2035.8556 1964.0553 111.5476 -205820.2497 17425.5271 0.0000 0.0000 34230.0078 -149312.3727 298.9392 -183542.3805 -149214.5783 298.7446 -62.8895 -32.3038 555680.9356 3.8279 3.7448 PRESSURE: 1101600 -100.615 -138.728 19.562 -138.727 -88.1705 -16.8311 19.5623 -16.8305 -193.304 GPRESSURE: 1101600 -128.113 -83.8293 31.9285 -52.5225 -23.0608 23.8428 9.73973 42.0828 -140.222 PRESSAVG: 1101600 -12.2708 36.1521 -5.76412 36.1521 -27.798 -3.90872 -5.76412 -3.9088 24.841 GPRESSAVG: 1101600 -11.386 35.1801 -5.03777 37.3458 -29.4582 -4.47653 -4.53881 -2.14012 25.3346 TIMING: 1101600 CPU: 3192.32, 0.00288291/step Wall: 3192.32, 0.00288291/step, 3.12187 hours remaining, 208.367188 MB of memory in use. ENERGY: 1101600 795.0221 2034.3320 1947.3121 110.1384 -205979.0671 17600.3136 0.0000 0.0000 34141.5141 -149350.4349 298.1663 -183491.9490 -149248.7844 298.2019 -127.3633 -97.1321 558314.7530 -5.0759 -5.1699 PRESSURE: 1101800 42.3538 183.176 61.0389 183.175 -83.7841 -9.03071 61.0405 -9.02967 -46.718 GPRESSURE: 1101800 82.5773 123.624 -35.0226 206.775 -98.1484 -0.298703 33.2708 -46.4305 12.896 PRESSAVG: 1101800 19.0546 30.6483 83.582 30.6482 -30.9784 30.1141 83.5819 30.1143 37.7718 GPRESSAVG: 1101800 18.8353 30.8101 81.6524 29.9913 -30.025 29.8631 82.9473 27.2353 37.3814 TIMING: 1101800 CPU: 3192.89, 0.0028992/step Wall: 3192.89, 0.0028992/step, 3.13935 hours remaining, 208.367188 MB of memory in use. ENERGY: 1101800 756.5127 2079.0225 1965.4718 107.7544 -206529.3481 17783.5087 0.0000 0.0000 34299.0083 -149538.0696 299.5418 -183837.0779 -149445.8132 298.4421 -29.3828 -0.8917 556975.4392 8.6160 8.7306 PRESSURE: 1102000 42.9707 -88.8664 -44.1863 -88.8665 -191.493 -28.7248 -44.187 -28.723 -148.811 GPRESSURE: 1102000 77.623 -23.3947 -35.1427 -167.443 -180.318 34.9238 -108.921 -35.9658 -96.4553 PRESSAVG: 1102000 -22.5879 38.5122 0.603746 38.5122 9.22089 31.5671 0.603662 31.5669 18.1268 GPRESSAVG: 1102000 -21.6172 40.9916 0.542543 37.5373 8.84291 31.4191 2.30612 32.9339 17.7926 TIMING: 1102000 CPU: 3193.47, 0.00289638/step Wall: 3193.47, 0.00289638/step, 3.13614 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1102000 740.1685 2076.5372 1920.2009 101.0291 -206063.2171 17562.6711 0.0000 0.0000 34140.2888 -149522.3215 298.1556 -183662.6103 -149428.9512 297.9092 -99.1109 -66.3833 558045.9709 1.5866 1.6728 PRESSURE: 1102200 -169.724 -97.6871 -104.714 -97.688 -57.5854 -69.6041 -104.712 -69.6058 19.4506 GPRESSURE: 1102200 -101.337 -71.649 -72.7779 -139.728 -76.8735 -86.8239 -47.8528 -94.6944 65.1683 PRESSAVG: 1102200 37.3386 -30.0948 -0.841175 -30.0947 -36.0014 -48.9698 -0.841172 -48.9698 -20.5039 GPRESSAVG: 1102200 37.1914 -30.2702 -0.503808 -29.8411 -35.3511 -48.0679 -1.4125 -49.234 -20.7994 TIMING: 1102200 CPU: 3194.05, 0.00289021/step Wall: 3194.05, 0.00289021/step, 3.1293 hours remaining, 208.367188 MB of memory in use. ENERGY: 1102200 762.9350 2106.8614 1958.2464 124.9894 -206454.0105 17848.4527 0.0000 0.0000 34100.2880 -149552.2375 297.8063 -183652.5255 -149461.9255 298.0962 -69.2864 -37.6806 559515.1514 -6.3889 -6.3197 PRESSURE: 1102400 -124.241 -74.1356 -234.239 -74.136 67.6457 71.6632 -234.239 71.6634 216.826 GPRESSURE: 1102400 -113.134 -57.7924 -198.75 -116.669 47.4415 -15.7446 -196.402 61.1024 330.865 PRESSAVG: 1102400 -11.8697 9.95728 -31.6817 9.95722 -91.7595 -24.7958 -31.6818 -24.7958 78.9412 GPRESSAVG: 1102400 -12.5796 8.55329 -29.2772 10.5844 -91.986 -25.3039 -33.1514 -26.3768 79.5187 TIMING: 1102400 CPU: 3194.63, 0.00289501/step Wall: 3194.63, 0.00289501/step, 3.13433 hours remaining, 208.367188 MB of memory in use. ENERGY: 1102400 741.2564 2077.4150 1956.4451 108.7274 -206617.7368 17983.0714 0.0000 0.0000 34098.4799 -149652.3416 297.7905 -183750.8215 -149553.6512 297.5980 53.4102 88.3908 558150.0328 -8.2293 -8.3490 PRESSURE: 1102600 -313.209 3.84468 27.0574 3.84375 -133.305 -45.8103 27.0574 -45.8109 211.381 GPRESSURE: 1102600 -237.732 27.6456 8.64762 -12.5106 -26.2045 -10.3694 9.92044 -28.1976 115.769 PRESSAVG: 1102600 -16.3946 -2.75428 -17.4279 -2.75432 -47.636 -64.4756 -17.428 -64.4755 51.9221 GPRESSAVG: 1102600 -16.7532 -1.73683 -19.0277 -2.9823 -48.5475 -63.2594 -14.8099 -63.2856 52.7563 TIMING: 1102600 CPU: 3195.21, 0.00289867/step Wall: 3195.21, 0.00289867/step, 3.13814 hours remaining, 208.367188 MB of memory in use. ENERGY: 1102600 714.4883 2120.2976 1962.4376 106.8610 -206116.2410 17592.6279 0.0000 0.0000 34043.6923 -149575.8364 297.3120 -183619.5287 -149482.9695 297.9411 -78.3778 -49.3893 557356.3372 -4.0362 -4.1815 PRESSURE: 1102800 -147.548 81.5843 -20.6139 81.5844 140.282 136.98 -20.6143 136.98 92.2993 GPRESSURE: 1102800 -195.178 45.3787 82.6926 43.9891 181.519 127.284 -24.9206 76.4228 190.484 PRESSAVG: 1102800 -107.331 22.6647 59.9194 22.6647 29.3368 4.51035 59.9193 4.51039 32.5349 GPRESSAVG: 1102800 -107.915 22.4189 60.7221 21.6007 31.1267 2.47968 59.7805 4.81828 31.1927 TIMING: 1102800 CPU: 3195.79, 0.00291175/step Wall: 3195.79, 0.00291175/step, 3.15213 hours remaining, 208.367188 MB of memory in use. ENERGY: 1102800 746.7468 2054.6599 1948.0951 119.7509 -206483.4049 17987.6787 0.0000 0.0000 34069.9972 -149556.4762 297.5418 -183626.4734 -149461.4688 298.3990 28.3444 58.9419 558618.0422 -15.1530 -15.1985 PRESSURE: 1103000 -104.934 -23.7192 82.8466 -23.7193 -403.938 -152.275 82.8469 -152.274 -304.681 GPRESSURE: 1103000 -78.0131 -54.269 -22.1226 12.1194 -305.654 -191.426 96.4328 -51.0765 -334.823 PRESSAVG: 1103000 28.8896 25.2521 -16.9556 25.2521 -37.129 18.9256 -16.9556 18.9256 27.7944 GPRESSAVG: 1103000 29.3073 25.6759 -16.4348 24.2157 -37.0525 19.8891 -19.069 17.7093 27.5495 TIMING: 1103000 CPU: 3196.38, 0.00292077/step Wall: 3196.38, 0.00292077/step, 3.16173 hours remaining, 208.367188 MB of memory in use. ENERGY: 1103000 722.3613 2082.1446 1949.8062 104.8009 -205925.7704 17528.0495 0.0000 0.0000 34037.6781 -149500.9298 297.2595 -183538.6078 -149401.3055 298.4746 -271.1843 -239.4969 559015.0918 6.5183 6.6014 PRESSURE: 1103200 11.0086 -129.555 47.0722 -129.555 -135.475 -142.121 47.0719 -142.122 122.87 GPRESSURE: 1103200 43.2364 -114.916 105.298 -130.22 -95.0726 -110.697 27.1482 -117.819 132.622 PRESSAVG: 1103200 23.9719 17.537 -32.2118 17.537 -95.7635 -65.9172 -32.2119 -65.9172 27.8559 GPRESSAVG: 1103200 25.0457 17.7375 -32.8864 18.1303 -96.3151 -65.9722 -32.1774 -63.4624 27.6736 TIMING: 1103200 CPU: 3196.96, 0.00291392/step Wall: 3196.96, 0.00291392/step, 3.15415 hours remaining, 208.367188 MB of memory in use. ENERGY: 1103200 710.0604 2094.1540 1939.6957 113.1115 -206469.7563 17915.4255 0.0000 0.0000 34261.3343 -149435.9748 299.2128 -183697.3091 -149336.5281 298.8338 -0.5322 26.9286 558016.0467 -14.6452 -14.5319 PRESSURE: 1103400 196.728 -49.5346 -29.4208 -49.5342 62.3408 20.6555 -29.4201 20.6557 42.6561 GPRESSURE: 1103400 220.427 44.0844 -95.9228 -28.5184 83.0159 0.797603 17.24 31.191 91.7531 PRESSAVG: 1103400 29.9191 9.982 -10.6544 9.98206 3.72665 -34.1058 -10.6545 -34.1057 -7.49386 GPRESSAVG: 1103400 29.978 9.51406 -8.279 11.3458 3.47683 -36.2968 -11.4377 -33.7318 -6.8566 TIMING: 1103400 CPU: 3197.54, 0.0029042/step Wall: 3197.54, 0.00290419/step, 3.14347 hours remaining, 208.367188 MB of memory in use. ENERGY: 1103400 731.0822 2133.9872 1957.5281 102.9493 -206758.5711 18236.2736 0.0000 0.0000 34210.1834 -149386.5673 298.7660 -183596.7506 -149289.9852 298.5051 100.5749 131.7319 558635.6248 8.7173 8.8661 PRESSURE: 1103600 177.628 -19.3279 -24.9847 -19.3265 98.3074 150.602 -24.9846 150.603 72.3398 GPRESSURE: 1103600 237.17 37.708 -26.0043 1.61709 71.2482 77.4838 28.1509 170.021 140.169 PRESSAVG: 1103600 17.1395 -19.1481 65.8421 -19.1481 -53.9881 1.41256 65.8421 1.41255 40.8295 GPRESSAVG: 1103600 18.1855 -18.9679 64.1512 -19.2647 -54.7403 4.47555 66.6007 -0.25059 40.511 TIMING: 1103600 CPU: 3198.12, 0.00290207/step Wall: 3198.12, 0.00290207/step, 3.14101 hours remaining, 208.367188 MB of memory in use. ENERGY: 1103600 766.1098 2084.9290 1932.9588 120.7684 -206771.4227 18249.6836 0.0000 0.0000 34112.6391 -149504.3340 297.9142 -183616.9731 -149409.4562 298.4186 116.0918 149.5290 558646.8448 1.3270 1.3187 PRESSURE: 1103800 -2.88437 -4.23264 178.842 -4.23309 -253.635 136.642 178.842 136.642 -364.15 GPRESSURE: 1103800 -9.21971 -45.3913 177.32 78.3561 -198.556 138.447 130.956 117.474 -320.512 PRESSAVG: 1103800 19.3588 16.7029 15.5194 16.703 -48.5661 19.195 15.5195 19.1949 19.5111 GPRESSAVG: 1103800 18.65 16.5121 15.0719 16.102 -47.7314 19.0781 16.2397 19.6227 19.5078 TIMING: 1103800 CPU: 3198.7, 0.00290937/step Wall: 3198.7, 0.00290937/step, 3.14875 hours remaining, 208.367188 MB of memory in use. ENERGY: 1103800 760.9771 2036.5818 1979.2600 108.9355 -206332.9583 17739.0292 0.0000 0.0000 34266.8980 -149441.2768 299.2613 -183708.1748 -149347.5298 298.2825 -206.8899 -176.0956 558053.7456 -3.2321 -3.1912 PRESSURE: 1104000 97.4073 -81.2313 169.407 -81.2293 15.34 48.6536 169.406 48.6542 36.1871 GPRESSURE: 1104000 205.714 22.9514 116.357 -80.8028 -12.0005 -22.387 134.165 99.7482 47.5192 PRESSAVG: 1104000 60.5183 -7.17468 -7.02282 -7.17468 9.71652 -5.11566 -7.02282 -5.11557 -23.1301 GPRESSAVG: 1104000 61.1699 -8.2017 -6.04124 -7.13451 9.50603 -5.74209 -6.94076 -5.88571 -23.7413 TIMING: 1104000 CPU: 3199.29, 0.00292874/step Wall: 3199.29, 0.00292874/step, 3.16955 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1104000 744.7613 2039.2037 1922.7854 118.3231 -206205.8456 17916.0410 0.0000 0.0000 34057.2883 -149407.4429 297.4308 -183464.7312 -149315.2929 298.8348 49.6448 80.4110 556809.4516 15.7016 15.6449 PRESSURE: 1104200 114.039 1.3318 8.14514 1.33318 106.991 -115.233 8.14548 -115.233 91.8357 GPRESSURE: 1104200 148.924 57.0381 -29.303 -34.1557 149.182 -143.898 38.2887 -50.0097 112.684 PRESSAVG: 1104200 24.695 5.9597 4.63264 5.95973 35.4866 31.7961 4.63263 31.7962 -131.55 GPRESSAVG: 1104200 25.0972 7.98878 3.5223 7.2731 34.8745 31.3028 5.2716 33.5625 -131.292 TIMING: 1104200 CPU: 3199.87, 0.00291524/step Wall: 3199.87, 0.00291524/step, 3.15477 hours remaining, 208.367188 MB of memory in use. ENERGY: 1104200 736.4039 2080.0567 1944.9776 109.8694 -206404.3384 17913.2530 0.0000 0.0000 34239.0910 -149380.6868 299.0185 -183619.7778 -149284.2766 298.0604 104.2884 136.9301 556238.5846 -23.7896 -23.7736 LDB: ============= START OF LOAD BALANCING ============== 3203.26 LDB: ============== END OF LOAD BALANCING =============== 3203.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3203.26 LDB: ============= START OF LOAD BALANCING ============== 3203.55 LDB: Largest compute 4820 load 0.024503 is 20.8% of average load 0.117993 LDB: Average compute 0.001702 is 1.4% of average load 0.117993 LDB: TIME 3203.55 LOAD: AVG 0.117993 MAX 0.181872 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.262 MB LDB: TIME 3203.55 LOAD: AVG 0.117993 MAX 0.181872 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: TIME 3203.55 LOAD: AVG 0.117993 MAX 0.181872 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: ============== END OF LOAD BALANCING =============== 3203.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3203.56 PRESSURE: 1104400 52.4287 5.40731 -136.201 5.40645 15.6636 -99.6771 -136.201 -99.6766 196.868 GPRESSURE: 1104400 43.3413 -32.6967 -80.3307 -11.5066 46.7422 -50.2697 -133.972 -63.5214 265.834 PRESSAVG: 1104400 76.1713 -35.7121 22.5234 -35.7122 30.8468 -13.1619 22.5234 -13.162 -80.0708 GPRESSAVG: 1104400 75.3524 -35.9402 24.8851 -38.997 30.6247 -13.2758 21.0411 -13.0098 -78.9722 TIMING: 1104400 CPU: 3200.47, 0.00296437/step Wall: 3200.47, 0.00296437/step, 3.20777 hours remaining, 207.492188 MB of memory in use. ENERGY: 1104400 733.0427 2018.0236 1932.7412 116.3871 -206137.5698 17821.1978 0.0000 0.0000 34217.4015 -149298.7759 298.8291 -183516.1775 -149199.8057 298.1583 88.3202 118.6391 556953.5322 8.9824 9.0016 PRESSURE: 1104600 31.2577 -58.9878 -54.3768 -58.9875 -51.2459 111.786 -54.378 111.788 218.092 GPRESSURE: 1104600 107.84 -40.8308 -44.2413 -99.3042 -55.6522 101.178 -59.6552 201.092 230.102 PRESSAVG: 1104600 0.732083 -10.6677 -45.2166 -10.6677 10.7726 59.1419 -45.2166 59.1419 -5.89021 GPRESSAVG: 1104600 0.130255 -13.1194 -49.1009 -8.60271 11.3156 59.3372 -43.0318 57.1299 -5.86469 TIMING: 1104600 CPU: 3201.05, 0.00291998/step Wall: 3201.05, 0.00291998/step, 3.15958 hours remaining, 207.695312 MB of memory in use. ENERGY: 1104600 736.4465 2106.2721 1957.6758 117.1351 -206338.1116 17838.8355 0.0000 0.0000 34402.3884 -149179.3583 300.4446 -183581.7466 -149078.5473 298.8428 66.0346 94.0964 556782.4680 1.8715 1.8604 PRESSURE: 1104800 17.2218 139.375 -54.1228 139.376 255.601 16.5504 -54.1223 16.5505 86.8958 GPRESSURE: 1104800 61.3536 59.9013 -50.2525 120.717 243.021 15.3765 9.81509 81.6845 148.843 PRESSAVG: 1104800 81.2524 -15.5055 -9.8564 -15.5056 22.4996 -32.291 -9.85631 -32.2911 -63.3977 GPRESSAVG: 1104800 82.2159 -16.4482 -8.4013 -13.0029 22.6224 -34.6048 -10.1632 -29.61 -64.4822 TIMING: 1104800 CPU: 3201.63, 0.0028937/step Wall: 3201.63, 0.0028937/step, 3.13098 hours remaining, 207.695312 MB of memory in use. ENERGY: 1104800 761.3400 2115.1041 1947.5142 109.5383 -206127.8908 17859.6897 0.0000 0.0000 34062.8955 -149271.8090 297.4797 -183334.7045 -149163.3799 299.1395 119.9063 151.0728 557660.1306 13.4514 13.4520 PRESSURE: 1105000 -202.535 63.3272 68.5193 63.3265 -51.4005 -22.4088 68.519 -22.4088 72.0837 GPRESSURE: 1105000 -221.169 268.691 119.005 -48.0229 17.9877 -129.165 68.5109 -22.1908 127.004 PRESSAVG: 1105000 0.161441 41.7614 34.2419 41.7614 -41.9812 -116.958 34.242 -116.958 20.4695 GPRESSAVG: 1105000 0.339037 44.5499 34.1338 39.0676 -41.6416 -113.909 33.3468 -119.309 20.664 TIMING: 1105000 CPU: 3202.21, 0.00290201/step Wall: 3202.21, 0.00290201/step, 3.13982 hours remaining, 207.695312 MB of memory in use. ENERGY: 1105000 747.5705 2087.1854 1929.5620 116.8879 -206096.6658 17855.9125 0.0000 0.0000 34165.7038 -149193.8437 298.3776 -183359.5475 -149102.7874 298.5410 -60.6172 -25.3925 558341.4874 -7.1168 -6.8795 PRESSURE: 1105200 80.8582 -73.3022 -2.95802 -73.3025 56.4862 -101.075 -2.95753 -101.075 220.473 GPRESSURE: 1105200 102.867 -76.6613 22.9675 -81.5697 68.8183 -163.495 -53.9088 -55.1246 287.776 PRESSAVG: 1105200 45.9423 4.7737 -4.53707 4.77378 9.30352 -20.0084 -4.53701 -20.0084 -22.5992 GPRESSAVG: 1105200 45.5319 3.10177 -4.75135 5.90476 9.69578 -21.4846 -2.38363 -21.9138 -22.4297 TIMING: 1105200 CPU: 3202.79, 0.00290923/step Wall: 3202.79, 0.00290923/step, 3.14746 hours remaining, 207.695312 MB of memory in use. ENERGY: 1105200 725.5691 2085.7607 1970.3119 122.1856 -206887.4838 18203.1520 0.0000 0.0000 34431.6005 -149348.9040 300.6997 -183780.5045 -149254.3503 299.0484 119.2723 153.1539 556599.6417 10.8822 10.9327 PRESSURE: 1105400 -9.56171 176.037 -88.604 176.036 104.334 -89.9438 -88.6053 -89.9444 142.401 GPRESSURE: 1105400 83.7521 190.259 -64.1069 72.3073 98.8682 -27.4237 -105.917 -0.638722 160.351 PRESSAVG: 1105400 31.4337 27.2693 -0.490565 27.2693 -4.80608 -39.9454 -0.490496 -39.9454 2.54929 GPRESSAVG: 1105400 32.3232 29.0797 -0.143662 24.8209 -4.94262 -39.1328 -3.18751 -39.5645 1.56561 TIMING: 1105400 CPU: 3203.37, 0.00289148/step Wall: 3203.37, 0.00289148/step, 3.1281 hours remaining, 207.695312 MB of memory in use. ENERGY: 1105400 757.7914 2075.3592 1967.9061 115.9765 -206527.0768 17951.2375 0.0000 0.0000 34319.3893 -149339.4169 299.7198 -183658.8061 -149242.8655 299.1282 79.0577 114.3239 555875.3331 9.7256 9.6487 PRESSURE: 1105600 -202.02 27.3808 9.51031 27.3815 -117.57 148.863 9.51027 148.864 -27.3131 GPRESSURE: 1105600 -178.158 42.3214 -1.36034 15.22 -45.9328 189.335 -22.0353 86.1409 -30.3702 PRESSAVG: 1105600 -70.9512 24.7916 -15.1757 24.7916 41.6022 -7.01622 -15.1756 -7.01623 38.2917 GPRESSAVG: 1105600 -70.2722 24.4316 -13.5148 24.8086 41.196 -6.86675 -15.2629 -5.41693 38.5309 TIMING: 1105600 CPU: 3203.95, 0.00289391/step Wall: 3203.95, 0.00289391/step, 3.13057 hours remaining, 207.695312 MB of memory in use. ENERGY: 1105600 718.3977 2061.9429 1954.7979 113.3592 -206130.8812 17587.2961 0.0000 0.0000 34222.8820 -149472.2053 298.8769 -183695.0873 -149374.1091 299.1605 -115.6344 -84.8203 557087.1745 2.9809 3.1516 PRESSURE: 1105800 -132.098 -76.4699 70.6712 -76.4708 -320.22 145.936 70.6708 145.936 -143.816 GPRESSURE: 1105800 -138.988 -55.6344 81.2411 -130.204 -277.644 144.76 126.17 148.607 -80.6831 PRESSAVG: 1105800 -66.0649 36.6014 14.996 36.6013 -6.97954 7.8939 14.9961 7.89375 90.5098 GPRESSAVG: 1105800 -67.8978 36.5993 13.9726 37.8705 -5.24454 6.73516 16.407 9.43954 90.3691 TIMING: 1105800 CPU: 3204.53, 0.00289655/step Wall: 3204.53, 0.00289655/step, 3.13326 hours remaining, 207.695312 MB of memory in use. ENERGY: 1105800 761.4936 2125.0072 1972.1818 123.1385 -206241.6185 17658.8189 0.0000 0.0000 34185.7566 -149415.2219 298.5527 -183600.9785 -149321.3764 298.7616 -198.7114 -165.7717 557617.8401 5.8218 5.7423 PRESSURE: 1106000 -102.048 212.951 -68.6558 212.951 190.132 -7.70297 -68.6564 -7.70393 -13.3305 GPRESSURE: 1106000 -139.987 129.575 -139.033 231.491 241.439 -25.9089 -61.4118 8.54502 73.4908 PRESSAVG: 1106000 -0.642724 12.2493 14.2918 12.2492 -27.5659 49.5844 14.2919 49.5844 14.454 GPRESSAVG: 1106000 -1.18339 12.4828 13.9183 12.3002 -27.3387 50.6673 12.4503 48.9927 14.9805 TIMING: 1106000 CPU: 3205.1, 0.00287471/step Wall: 3205.1, 0.00287471/step, 3.10948 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1106000 726.5182 2129.4326 1971.9097 119.5145 -206562.9157 17904.5943 0.0000 0.0000 34077.8122 -149633.1342 297.6100 -183710.9464 -149538.6847 298.1004 24.9181 58.3142 557735.1644 -4.5849 -4.5139 PRESSURE: 1106200 237.47 92.9998 171.593 93.0008 -104.815 -5.76143 171.593 -5.76134 88.4411 GPRESSURE: 1106200 211.68 102.285 166.682 64.9533 -4.61781 52.9137 141.343 -35.5792 108.753 PRESSAVG: 1106200 -1.05788 19.6142 12.7114 19.6143 4.82293 32.9093 12.7113 32.9093 7.27716 GPRESSAVG: 1106200 0.181858 19.8116 11.6415 19.817 3.91044 35.3464 14.6108 31.0913 6.25813 TIMING: 1106200 CPU: 3205.68, 0.00290745/step Wall: 3205.68, 0.00290745/step, 3.14473 hours remaining, 207.695312 MB of memory in use. ENERGY: 1106200 687.8299 2062.6657 1909.4380 112.0034 -206398.9490 18008.6878 0.0000 0.0000 33989.0618 -149629.2624 296.8349 -183618.3242 -149531.6270 297.1080 73.6987 105.2717 558747.5514 3.6807 3.4501 PRESSURE: 1106400 95.6492 180.221 22.7258 180.223 -131.783 78.8249 22.7257 78.8269 -76.1137 GPRESSURE: 1106400 127.975 158.307 72.4945 227.858 -30.4358 73.3422 86.5353 77.8648 -113.973 PRESSAVG: 1106400 -51.5126 -7.15164 86.3934 -7.15167 -24.4493 -58.2818 86.3933 -58.2819 62.6189 GPRESSAVG: 1106400 -52.5481 -6.72226 88.1239 -6.61359 -24.3848 -60.4358 85.1066 -58.8131 63.7415 TIMING: 1106400 CPU: 3206.26, 0.00288984/step Wall: 3206.26, 0.00288984/step, 3.12552 hours remaining, 207.695312 MB of memory in use. ENERGY: 1106400 739.0288 2055.6830 1960.7328 113.6305 -205972.5527 17667.9944 0.0000 0.0000 34018.8704 -149416.6127 297.0953 -183435.4831 -149321.0873 298.2130 -37.4159 -5.4778 558488.5550 -4.4477 -4.3972 PRESSURE: 1106600 -206.289 4.12024 -212.326 4.12007 33.6383 109.706 -212.326 109.706 218.766 GPRESSURE: 1106600 -162.274 65.4572 -201.831 -49.2018 56.2431 144.628 -250.87 85.8408 242.391 PRESSAVG: 1106600 -20.5568 -8.92759 16.5732 -8.92762 58.0569 -32.4565 16.5733 -32.4566 -17.1447 GPRESSAVG: 1106600 -20.0932 -10.5944 15.519 -10.3466 57.1698 -32.7361 17.1342 -33.0154 -16.7328 TIMING: 1106600 CPU: 3206.84, 0.00287478/step Wall: 3206.84, 0.00287478/step, 3.10908 hours remaining, 207.695312 MB of memory in use. ENERGY: 1106600 755.8365 2110.9800 1953.7056 106.0704 -206435.8159 17864.8268 0.0000 0.0000 34412.8011 -149231.5956 300.5356 -183644.3967 -149134.7353 299.0660 15.3715 45.4532 557398.2954 6.7852 6.7813 PRESSURE: 1106800 42.3527 -16.8865 9.02617 -16.8861 -64.9758 -21.5325 9.02466 -21.5321 6.69356 GPRESSURE: 1106800 59.3758 -91.5668 0.795326 -11.6103 -19.3895 20.3054 49.0939 -46.9752 40.162 PRESSAVG: 1106800 29.1739 -20.0022 7.10737 -20.0022 -39.3429 -26.6656 7.10739 -26.6656 9.7243 GPRESSAVG: 1106800 28.8015 -19.5704 6.73528 -20.0431 -38.9731 -24.2184 8.54767 -25.6158 8.86791 TIMING: 1106800 CPU: 3207.41, 0.00288467/step Wall: 3207.41, 0.00288467/step, 3.11961 hours remaining, 207.695312 MB of memory in use. ENERGY: 1106800 724.7857 2076.7274 1938.6046 114.4098 -206213.0902 17623.0799 0.0000 0.0000 34342.9522 -149392.5307 299.9255 -183735.4829 -149301.8240 298.5062 -5.3098 26.7161 557304.0495 -0.1482 -0.4346 PRESSURE: 1107000 40.4399 87.1012 95.8859 87.1007 -75.3008 -191.738 95.886 -191.739 59.2412 GPRESSURE: 1107000 93.0301 100.697 18.4356 36.7263 -12.6907 -222.677 112.228 -241.879 38.4041 PRESSAVG: 1107000 15.8209 -8.88075 33.6559 -8.88092 -36.7266 -1.88109 33.656 -1.88113 48.4075 GPRESSAVG: 1107000 15.1903 -7.72515 34.2147 -7.58772 -37.6026 -2.57437 33.4303 -2.44068 50.0631 TIMING: 1107000 CPU: 3207.99, 0.00289975/step Wall: 3207.99, 0.00289975/step, 3.13576 hours remaining, 207.695312 MB of memory in use. ENERGY: 1107000 798.9861 2089.0349 1922.5698 108.4870 -206368.6398 17930.5862 0.0000 0.0000 34275.7718 -149243.2040 299.3388 -183518.9758 -149153.5223 299.3572 8.1268 39.5812 557853.8833 9.1672 9.2169 PRESSURE: 1107200 13.332 16.662 78.7583 16.6619 -163.37 122.761 78.7582 122.76 61.2923 GPRESSURE: 1107200 48.7825 -15.0761 8.11282 17.7451 -168.159 88.3294 93.9681 38.8529 130.886 PRESSAVG: 1107200 21.5324 37.3995 37.7848 37.3994 -33.4926 -33.701 37.7849 -33.701 11.5715 GPRESSAVG: 1107200 21.3773 35.0393 38.7837 36.7699 -31.8635 -35.8925 37.1369 -33.2128 10.8883 TIMING: 1107200 CPU: 3208.58, 0.00292356/step Wall: 3208.58, 0.00292356/step, 3.16134 hours remaining, 207.695312 MB of memory in use. ENERGY: 1107200 727.3789 2120.4257 1936.8124 122.3985 -206191.1530 17709.4332 0.0000 0.0000 34349.5302 -149225.1741 299.9830 -183574.7043 -149130.9031 299.2985 -29.5819 3.8365 557084.9128 -0.1296 0.1340 PRESSURE: 1107400 -252.944 31.1557 193.036 31.1565 -301.582 -96.0693 193.036 -96.0697 -85.7659 GPRESSURE: 1107400 -195.618 90.9929 218.831 56.0527 -281.789 -73.3157 138.193 -102.095 -79.7701 PRESSAVG: 1107400 -33.7708 48.8446 27.0603 48.8446 -35.1037 -77.1271 27.0603 -77.1271 36.3673 GPRESSAVG: 1107400 -32.1577 51.3665 26.755 47.8024 -37.1547 -77.9762 27.4981 -77.349 36.4007 TIMING: 1107400 CPU: 3209.16, 0.00290215/step Wall: 3209.16, 0.00290215/step, 3.13804 hours remaining, 207.695312 MB of memory in use. ENERGY: 1107400 722.5075 2068.6333 1939.1639 127.1052 -205833.7604 17528.8741 0.0000 0.0000 34045.2064 -149402.2701 297.3253 -183447.4765 -149307.7848 298.7167 -213.4307 -185.7255 559188.0063 -10.8357 -10.9706 PRESSURE: 1107600 103.363 208.429 140.587 208.427 -67.2976 -33.0738 140.587 -33.0728 -76.3841 GPRESSURE: 1107600 51.4848 226.939 226.911 174.999 13.6641 -3.98673 3.25616 -52.9519 -10.8957 PRESSAVG: 1107600 77.6321 28.9888 18.1044 28.9888 -36.0168 -18.1913 18.1045 -18.1914 -10.2976 GPRESSAVG: 1107600 77.8102 26.8776 17.403 30.841 -35.8349 -17.5198 17.987 -18.8441 -11.1476 TIMING: 1107600 CPU: 3209.74, 0.00289793/step Wall: 3209.74, 0.00289793/step, 3.13331 hours remaining, 207.695312 MB of memory in use. ENERGY: 1107600 702.0914 2087.9258 1913.6724 117.2805 -205966.9461 17640.5803 0.0000 0.0000 34075.2386 -149430.1571 297.5875 -183505.3957 -149334.3405 298.2052 -13.4397 18.0844 557612.9995 10.4392 10.2759 PRESSURE: 1107800 238.622 -65.8535 -69.5913 -65.8531 62.1085 -109.748 -69.5917 -109.749 184.209 GPRESSURE: 1107800 278.408 -9.89905 -76.7235 -98.1121 105.388 -112.36 -79.0668 -91.7811 203.013 PRESSAVG: 1107800 9.18511 21.5458 -18.5237 21.5458 9.98996 13.2687 -18.5238 13.2687 -14.634 GPRESSAVG: 1107800 7.54889 23.4631 -17.5384 19.5761 10.4215 15.4826 -20.0433 14.7704 -12.9395 TIMING: 1107800 CPU: 3210.31, 0.00288322/step Wall: 3210.31, 0.00288322/step, 3.11724 hours remaining, 207.695312 MB of memory in use. ENERGY: 1107800 702.8636 2077.1906 1919.6437 98.3904 -206487.2228 18105.8314 0.0000 0.0000 34251.3329 -149331.9701 299.1254 -183583.3030 -149234.1218 298.4593 161.6466 195.6027 557558.4150 1.5137 1.6770 PRESSURE: 1108000 -118.781 23.3867 81.6126 23.3881 20.3952 3.41428 81.6127 3.41581 -92.9315 GPRESSURE: 1108000 -6.99749 60.7864 107.983 37.7446 53.8129 -18.3714 -20.6204 4.2616 -128.861 PRESSAVG: 1108000 17.8441 27.9201 21.4547 27.9202 -2.40217 3.21523 21.4549 3.21511 -45.7397 GPRESSAVG: 1108000 19.346 26.6787 21.4135 31.6196 -2.38882 0.86985 23.2413 0.524981 -47.0377 TIMING: 1108000 CPU: 3210.89, 0.00289783/step Wall: 3210.89, 0.00289783/step, 3.13288 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1108000 724.9984 2103.9261 1936.6448 112.5835 -206072.7217 17840.9744 0.0000 0.0000 34107.3586 -149246.2358 297.8680 -183353.5945 -149142.4598 298.2887 -63.7724 -27.3486 558770.3754 -10.0992 -10.0268 PRESSURE: 1108200 214.643 112.495 7.27286 112.495 10.1797 -178.998 7.27256 -178.998 -166.468 GPRESSURE: 1108200 206.844 25.6916 108.585 190.021 49.7663 -151.928 -62.2338 -168.252 -99.5541 PRESSAVG: 1108200 -34.5218 68.2849 44.341 68.285 21.7252 -33.3118 44.3409 -33.3119 -46.1787 GPRESSAVG: 1108200 -34.3473 67.8657 46.1307 65.8986 21.7598 -31.2948 42.8303 -31.7288 -46.1748 TIMING: 1108200 CPU: 3211.48, 0.00290792/step Wall: 3211.48, 0.00290792/step, 3.14363 hours remaining, 207.695312 MB of memory in use. ENERGY: 1108200 743.9870 2131.6781 1924.1846 105.4152 -206065.0208 17785.8398 0.0000 0.0000 34158.8609 -149215.0552 298.3178 -183373.9161 -149113.5851 299.1216 19.4517 52.3521 558011.1418 -19.6584 -19.5874 LDB: ============= START OF LOAD BALANCING ============== 3214.86 LDB: ============== END OF LOAD BALANCING =============== 3214.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3214.87 LDB: ============= START OF LOAD BALANCING ============== 3215.16 LDB: Largest compute 4820 load 0.024515 is 20.8% of average load 0.117935 LDB: Average compute 0.001715 is 1.5% of average load 0.117935 LDB: TIME 3215.16 LOAD: AVG 0.117935 MAX 0.184558 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 3215.16 LOAD: AVG 0.117935 MAX 0.184558 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 3215.16 LOAD: AVG 0.117935 MAX 0.184558 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3215.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3215.16 PRESSURE: 1108400 -195.095 119.046 -3.19298 119.044 103.873 -39.6268 -3.19158 -39.6272 -230.528 GPRESSURE: 1108400 -178.795 152.125 46.1083 138.156 154.652 21.4548 -4.25783 -45.8547 -199.403 PRESSAVG: 1108400 85.9709 44.9868 55.8852 44.9868 -28.2594 10.3528 55.8851 10.3527 -50.3589 GPRESSAVG: 1108400 84.6071 45.8817 54.047 44.9996 -28.5069 9.99514 57.0504 10.4659 -49.2512 TIMING: 1108400 CPU: 3212.07, 0.00296804/step Wall: 3212.07, 0.00296804/step, 3.20845 hours remaining, 207.921875 MB of memory in use. ENERGY: 1108400 725.8570 2071.2090 1924.0242 115.3251 -206172.2123 17691.0565 0.0000 0.0000 34333.3413 -149311.3993 299.8416 -183644.7406 -149215.8288 298.6672 -107.2499 -74.5153 558109.6463 2.4509 2.2830 PRESSURE: 1108600 52.263 77.308 -101.748 77.3069 -232.437 91.0001 -101.747 91 -66.061 GPRESSURE: 1108600 77.6716 105.433 -92.4151 15.0442 -215.158 71.5297 -133.868 64.0991 -13.0803 PRESSAVG: 1108600 -34.7475 18.4218 -27.4378 18.4218 65.6011 5.69565 -27.4378 5.69571 -15.0889 GPRESSAVG: 1108600 -33.5632 18.4405 -26.6283 16.7391 65.19 5.97568 -27.9381 5.42949 -16.2639 TIMING: 1108600 CPU: 3212.65, 0.0028999/step Wall: 3212.65, 0.0028999/step, 3.13463 hours remaining, 208.125000 MB of memory in use. ENERGY: 1108600 733.3914 2092.7903 1948.8470 111.2205 -206140.5379 17619.2467 0.0000 0.0000 34306.1993 -149328.8427 299.6046 -183635.0419 -149232.7755 299.2997 -82.0782 -50.1889 557365.4249 5.2549 5.1210 PRESSURE: 1108800 114.106 173.363 -140.103 173.365 -20.6458 81.0026 -140.104 81.002 -199.64 GPRESSURE: 1108800 124.038 206.223 -167.352 139.375 13.0544 35.9165 -177.611 73.461 -143.812 PRESSAVG: 1108800 29.2689 -3.10314 -51.4329 -3.10302 0.733712 -32.0705 -51.4329 -32.0704 -39.8181 GPRESSAVG: 1108800 28.8874 -4.09962 -52.5068 -1.80939 0.363479 -31.8434 -49.0569 -31.2776 -39.0544 TIMING: 1108800 CPU: 3213.23, 0.00288507/step Wall: 3213.23, 0.00288507/step, 3.11844 hours remaining, 208.367188 MB of memory in use. ENERGY: 1108800 745.6353 2174.4936 1910.7571 130.6671 -206329.3812 17852.6100 0.0000 0.0000 34083.0282 -149432.1900 297.6556 -183515.2181 -149335.7745 299.3410 -35.3931 -2.2397 557289.2531 -3.2718 -3.2678 PRESSURE: 1109000 -207.824 31.1639 -24.8433 31.1646 -7.86046 61.8738 -24.8441 61.8736 110.009 GPRESSURE: 1109000 -128.47 -8.20219 104.88 66.4448 -4.2492 87.0716 -23.1452 141.1 122.571 PRESSAVG: 1109000 69.082 69.7094 -39.0313 69.7094 -36.9402 -69.5205 -39.0313 -69.5205 -7.30748 GPRESSAVG: 1109000 69.2357 70.4502 -37.3464 70.3836 -36.6301 -67.6519 -40.0296 -70.7255 -7.83678 TIMING: 1109000 CPU: 3213.8, 0.00287428/step Wall: 3213.8, 0.00287428/step, 3.10662 hours remaining, 208.367188 MB of memory in use. ENERGY: 1109000 715.3384 2103.5407 1930.4753 106.1006 -206169.6253 17647.4032 0.0000 0.0000 34183.8651 -149482.9021 298.5362 -183666.7672 -149382.5969 298.2601 -35.2252 -3.3827 556728.2789 8.2781 8.2563 PRESSURE: 1109200 3.05209 86.6474 39.0491 86.6479 -132.967 34.4985 39.0487 34.4995 -200.102 GPRESSURE: 1109200 38.927 113.64 -18.7453 10.6061 -88.4362 -45.7525 133.113 -4.01199 -187.303 PRESSAVG: 1109200 134.601 11 17.2273 11 -102.437 -27.378 17.2273 -27.3781 -15.6359 GPRESSAVG: 1109200 134.678 9.38848 15.3514 11.4909 -101.833 -30.832 17.9198 -25.4852 -16.2382 TIMING: 1109200 CPU: 3214.38, 0.00288273/step Wall: 3214.38, 0.00288273/step, 3.11559 hours remaining, 208.367188 MB of memory in use. ENERGY: 1109200 742.8616 2069.3058 1917.8158 112.5413 -206250.3202 17775.9307 0.0000 0.0000 34102.3814 -149529.4836 297.8246 -183631.8650 -149434.8486 298.1741 -110.0056 -78.9373 556977.7267 5.5095 5.5358 PRESSURE: 1109400 34.2496 190.506 131.405 190.504 -43.7352 -145.552 131.405 -145.552 -2.19518 GPRESSURE: 1109400 51.0678 152.095 118.589 235.646 13.0832 -136.491 129.968 -96.6776 35.349 PRESSAVG: 1109400 -21.028 21.7298 -9.86318 21.7297 -19.6606 6.7221 -9.86313 6.72199 9.38326 GPRESSAVG: 1109400 -20.4699 22.5568 -7.14362 22.3783 -20.4187 7.04699 -10.374 6.36002 10.361 TIMING: 1109400 CPU: 3214.96, 0.00289774/step Wall: 3214.96, 0.00289774/step, 3.13165 hours remaining, 208.367188 MB of memory in use. ENERGY: 1109400 706.8691 2077.4149 1937.0749 115.8713 -206550.2115 17871.0834 0.0000 0.0000 34317.7399 -149524.1581 299.7054 -183841.8980 -149431.7746 297.6862 -3.8936 33.1667 557900.4060 -10.4351 -10.1759 PRESSURE: 1109600 -267.095 45.9221 -37.7039 45.9218 -205.147 -54.0111 -37.7034 -54.0106 65.7816 GPRESSURE: 1109600 -229.024 -12.2765 -7.2978 18.3122 -130.029 -57.1747 -5.35975 -61.6739 34.7089 PRESSAVG: 1109600 15.5902 -6.02881 -31.9647 -6.02874 -19.8161 -51.404 -31.9647 -51.404 -16.8768 GPRESSAVG: 1109600 16.0161 -5.9912 -33.9056 -6.30987 -18.8078 -50.6099 -30.5686 -51.8048 -17.8727 TIMING: 1109600 CPU: 3215.54, 0.00291547/step Wall: 3215.54, 0.00291547/step, 3.15065 hours remaining, 208.367188 MB of memory in use. ENERGY: 1109600 751.3580 2101.2107 1915.5954 115.1078 -206167.5556 17682.6515 0.0000 0.0000 34234.2754 -149367.3569 298.9764 -183601.6323 -149269.1281 298.3082 -135.4869 -108.1147 558167.2995 -7.0342 -6.8881 PRESSURE: 1109800 -150.081 37.2354 -109 37.2352 -68.8079 35.505 -109 35.5044 -194.435 GPRESSURE: 1109800 -150.885 -24.158 -147.663 51.8177 -25.8707 117.583 -32.9107 -35.3205 -151.758 PRESSAVG: 1109800 25.7252 -40.2558 -6.15804 -40.2557 -54.1575 -6.70165 -6.158 -6.70166 40.4125 GPRESSAVG: 1109800 24.7732 -40.7492 -6.1499 -41.8153 -54.3445 -5.07489 -9.13862 -7.78206 41.6868 TIMING: 1109800 CPU: 3216.12, 0.00291863/step Wall: 3216.12, 0.00291862/step, 3.1539 hours remaining, 208.367188 MB of memory in use. ENERGY: 1109800 750.7090 2108.9792 1948.5646 119.8807 -206564.0485 17850.4592 0.0000 0.0000 34437.3364 -149348.1192 300.7498 -183785.4556 -149254.6267 298.7468 -137.7746 -109.5047 559374.2089 3.9934 4.0385 PRESSURE: 1110000 306.159 -6.7648 67.3877 -6.76463 172.775 17.0771 67.3878 17.0769 175.888 GPRESSURE: 1110000 360.967 13.5833 33.289 24.3762 194.332 -23.95 32.7964 46.1829 192.792 PRESSAVG: 1110000 -30.2643 29.7951 20.7377 29.7951 -20.698 8.19576 20.7377 8.19573 15.9889 GPRESSAVG: 1110000 -29.8282 31.1638 21.2829 29.9475 -20.8026 8.49966 21.2393 7.38984 15.7033 TIMING: 1110000 CPU: 3216.71, 0.00291662/step Wall: 3216.71, 0.00291662/step, 3.15157 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1110000 746.2324 2113.8943 1932.5510 110.4759 -206775.2425 18290.7451 0.0000 0.0000 34226.7419 -149354.6020 298.9106 -183581.3439 -149249.5777 298.7629 218.2740 249.3639 559206.3417 -11.6578 -11.6425 PRESSURE: 1110200 279.819 52.9068 79.3165 52.9062 -112.421 9.48183 79.3175 9.48435 -33.0787 GPRESSURE: 1110200 264.159 10.6605 123.037 83.7152 -29.5959 23.4025 103.092 -89.3251 -1.64448 PRESSAVG: 1110200 -15.336 25.075 -20.6395 25.0751 -86.2525 -13.3958 -20.6395 -13.3958 83.2611 GPRESSAVG: 1110200 -14.4519 26.0594 -21.8564 27.0323 -86.7992 -15.3916 -19.1283 -12.882 82.7484 TIMING: 1110200 CPU: 3217.29, 0.0029019/step Wall: 3217.29, 0.0029019/step, 3.1355 hours remaining, 208.367188 MB of memory in use. ENERGY: 1110200 773.1229 2084.0896 1952.5545 106.9591 -206773.3014 18061.3934 0.0000 0.0000 34306.0654 -149489.1164 299.6034 -183795.1817 -149387.3970 298.4631 44.7729 77.6397 556981.2717 -6.1092 -6.1676 PRESSURE: 1110400 -215.929 239.914 97.9277 239.913 -232.977 42.4224 97.9271 42.4226 -183.947 GPRESSURE: 1110400 -170.641 226.065 193.399 189.587 -217.855 72.6944 93.615 43.2458 -140.264 PRESSAVG: 1110400 21.4246 9.36654 10.8101 9.36657 -54.7306 -17.2798 10.8101 -17.2797 40.4402 GPRESSAVG: 1110400 21.0267 8.00347 12.1713 8.21409 -55.8741 -17.867 10.7571 -16.5028 42.0755 TIMING: 1110400 CPU: 3217.88, 0.00294555/step Wall: 3217.88, 0.00294555/step, 3.1825 hours remaining, 208.367188 MB of memory in use. ENERGY: 1110400 773.8171 2064.8365 1909.4431 123.8241 -206169.1882 17629.1269 0.0000 0.0000 34264.1878 -149403.9526 299.2377 -183668.1405 -149311.0630 298.5547 -210.9508 -176.2535 558315.7297 2.3780 2.4094 PRESSURE: 1110600 -200.009 153.741 18.6184 153.74 38.7114 -39.5062 18.6192 -39.5072 221.503 GPRESSURE: 1110600 -226.139 148.606 -64.139 113.644 94.4775 -17.7868 9.0209 -43.6646 291.061 PRESSAVG: 1110600 -12.974 22.1525 3.39099 22.1525 18.2892 -26.3115 3.39098 -26.3116 12.1955 GPRESSAVG: 1110600 -13.0388 23.9177 2.51282 21.1303 19.527 -24.908 1.0064 -25.7197 10.7387 TIMING: 1110600 CPU: 3218.46, 0.00293978/step Wall: 3218.46, 0.00293978/step, 3.17611 hours remaining, 208.367188 MB of memory in use. ENERGY: 1110600 766.5133 2079.8190 1940.6471 107.2413 -206496.6565 17892.1853 0.0000 0.0000 34402.2629 -149307.9876 300.4435 -183710.2505 -149216.2263 298.0442 20.0684 53.1330 557636.5148 5.8369 5.7423 PRESSURE: 1110800 -84.6798 104.679 -91.005 104.679 -257.714 69.3111 -91.0049 69.3121 -185.679 GPRESSURE: 1110800 -54.4549 27.9513 -78.6142 186.724 -200.634 61.1773 -151.826 71.1472 -179.074 PRESSAVG: 1110800 7.63582 -15.7645 -36.4483 -15.7644 31.2699 -63.4069 -36.4483 -63.4069 -10.7048 GPRESSAVG: 1110800 7.5232 -15.2626 -36.1759 -15.1629 31.7253 -63.6253 -35.4102 -63.1902 -11.1347 TIMING: 1110800 CPU: 3219.04, 0.00288471/step Wall: 3219.04, 0.00288471/step, 3.11645 hours remaining, 208.367188 MB of memory in use. ENERGY: 1110800 763.1362 2112.8476 1949.4313 111.1573 -206032.5032 17466.0175 0.0000 0.0000 34214.1695 -149415.7439 298.8009 -183629.9134 -149321.4788 298.7781 -176.0243 -144.7211 557074.9906 9.4003 9.3713 PRESSURE: 1111000 -310.467 180.374 4.07313 180.376 -179.738 -38.7009 4.07341 -38.7024 119.842 GPRESSURE: 1111000 -235.3 217.765 177.092 156.567 -175.685 -32.0915 -36.0847 -21.2611 142.347 PRESSAVG: 1111000 -1.16334 14.0654 -44.3695 14.0653 -42.496 -63.2437 -44.3694 -63.2438 13.1157 GPRESSAVG: 1111000 -0.817251 11.5566 -44.443 15.5641 -42.8982 -63.9602 -43.6303 -63.7305 13.1379 TIMING: 1111000 CPU: 3219.62, 0.00289043/step Wall: 3219.62, 0.00289043/step, 3.12247 hours remaining, 208.367188 MB of memory in use. ENERGY: 1111000 740.8062 2094.6598 1899.3940 127.8689 -206020.7950 17598.2823 0.0000 0.0000 34352.2723 -149207.5115 300.0069 -183559.7839 -149105.7676 298.8649 -123.4544 -89.5460 558350.7067 -10.1812 -10.1925 PRESSURE: 1111200 36.6183 50.6376 -159.635 50.6363 10.076 -17.762 -159.635 -17.7629 30.0243 GPRESSURE: 1111200 125.833 6.37939 -138.842 140.758 -7.96503 -39.9507 -148.208 -71.5542 57.5482 PRESSAVG: 1111200 -29.6688 -14.7128 -18.7945 -14.7128 24.3222 -17.115 -18.7944 -17.115 94.2492 GPRESSAVG: 1111200 -30.1435 -13.1437 -18.0068 -16.444 24.9608 -15.5714 -19.4025 -17.5231 94.0565 TIMING: 1111200 CPU: 3220.2, 0.00288614/step Wall: 3220.2, 0.00288614/step, 3.11768 hours remaining, 208.367188 MB of memory in use. ENERGY: 1111200 747.6580 2050.8218 1950.0670 124.0553 -206175.4792 17885.0360 0.0000 0.0000 34294.7897 -149123.0513 299.5049 -183417.8411 -149027.6453 299.5811 25.5729 58.4721 557127.3850 29.6342 29.6246 PRESSURE: 1111400 225.454 -19.0319 45.2327 -19.0315 75.7222 -3.19168 45.2314 -3.19094 208.694 GPRESSURE: 1111400 254.178 40.0971 75.3222 -33.5325 112.85 -24.7857 54.1164 27.7534 235.452 PRESSAVG: 1111400 15.898 23.7785 27.5321 23.7785 -8.04314 31.9746 27.5321 31.9745 -19.7033 GPRESSAVG: 1111400 15.8143 21.4496 27.1371 25.3508 -9.49079 31.4836 29.4664 32.811 -18.5224 TIMING: 1111400 CPU: 3220.78, 0.00289293/step Wall: 3220.78, 0.00289293/step, 3.12484 hours remaining, 208.367188 MB of memory in use. ENERGY: 1111400 722.2892 2092.9916 1936.0353 119.5297 -206582.2165 18151.1057 0.0000 0.0000 34490.5073 -149069.7577 301.2142 -183560.2650 -148962.4261 299.5191 169.9570 200.8268 556782.6369 -3.9495 -4.0663 PRESSURE: 1111600 -162.095 59.9789 -74.5311 59.978 195.43 81.0335 -74.5314 81.0339 -80.3066 GPRESSURE: 1111600 -102.092 64.0354 58.2259 -0.548842 187.494 -39.3604 -81.7619 111.687 -23.2798 PRESSAVG: 1111600 -45.4319 41.5274 3.06985 41.5274 97.6989 -19.6689 3.07006 -19.669 1.04346 GPRESSAVG: 1111600 -46.3644 42.2414 3.41144 41.9253 98.3713 -22.2011 3.09492 -18.4443 1.24897 TIMING: 1111600 CPU: 3221.35, 0.00287549/step Wall: 3221.35, 0.00287549/step, 3.10585 hours remaining, 208.367188 MB of memory in use. ENERGY: 1111600 750.7104 2096.4425 1932.7683 117.6880 -206013.6053 17812.6392 0.0000 0.0000 34227.9094 -149075.4475 298.9208 -183303.3569 -148978.7251 299.9714 -15.6572 20.7074 557839.1293 17.7701 17.7520 PRESSURE: 1111800 227.54 -25.4344 -58.3958 -25.434 294.386 110.682 -58.3963 110.683 84.9879 GPRESSURE: 1111800 305.646 -58.818 19.0047 49.6284 292.774 138.269 -110.74 93.4177 107.865 PRESSAVG: 1111800 23.5556 -8.87953 -33.2892 -8.87949 36.2505 -52.9247 -33.2892 -52.9246 -56.8979 GPRESSAVG: 1111800 23.2262 -8.88192 -32.6952 -9.95667 37.6038 -50.888 -35.2638 -56.5237 -58.11 TIMING: 1111800 CPU: 3221.93, 0.00288081/step Wall: 3221.93, 0.00288081/step, 3.11143 hours remaining, 208.367188 MB of memory in use. ENERGY: 1111800 726.4559 2081.6439 1966.7593 110.1938 -206661.4994 18062.4539 0.0000 0.0000 34633.5837 -149080.4091 302.4637 -183713.9927 -148982.9609 299.9996 202.3049 235.4283 556000.0444 0.9694 0.9067 PRESSURE: 1112000 138.964 26.9014 25.3596 26.9005 165.498 -172.494 25.3604 -172.495 97.869 GPRESSURE: 1112000 217.064 86.5306 1.98111 17.9287 200.149 -207.542 -2.56921 -91.5232 77.5999 PRESSAVG: 1112000 -15.2164 -51.8529 38.0204 -51.8528 68.947 -14.1169 38.0204 -14.1169 -14.2348 GPRESSAVG: 1112000 -15.112 -49.6249 37.5832 -52.5506 68.8417 -17.3109 38.6467 -11.4357 -13.5855 TIMING: 1112000 CPU: 3222.5, 0.00287176/step Wall: 3222.5, 0.00287176/step, 3.1015 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1112000 785.3933 2143.2538 1952.8387 122.0286 -206451.5393 17892.1422 0.0000 0.0000 34507.2193 -149048.6633 301.3601 -183555.8826 -148955.5288 300.1772 134.1103 164.9376 555848.7626 13.1653 13.3814 PRESSURE: 1112200 128.75 -79.8871 47.4124 -79.8852 87.8206 -48.5649 47.4116 -48.5642 -37.3482 GPRESSURE: 1112200 193.327 -58.5557 134.96 -87.6342 125.541 -105.878 16.4198 -70.3372 -49.2172 PRESSAVG: 1112200 -36.6871 -23.389 -5.05702 -23.389 15.5783 -50.1655 -5.05701 -50.1655 -2.86419 GPRESSAVG: 1112200 -36.3268 -26.326 -4.90614 -22.2933 15.0369 -48.6535 -4.04933 -50.3725 -2.5802 TIMING: 1112200 CPU: 3223.07, 0.00286608/step Wall: 3223.07, 0.00286608/step, 3.09521 hours remaining, 208.367188 MB of memory in use. ENERGY: 1112200 737.5200 2133.7190 1941.9600 104.8384 -206686.2576 18058.0309 0.0000 0.0000 34418.3043 -149291.8851 300.5836 -183710.1894 -149191.9878 299.8430 59.7409 89.8838 556828.4569 -7.9910 -7.9567 LDB: ============= START OF LOAD BALANCING ============== 3226.46 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3226.46 LDB: =============== DONE WITH MIGRATION ================ 3226.46 LDB: ============= START OF LOAD BALANCING ============== 3226.75 LDB: Largest compute 4820 load 0.025236 is 21.4% of average load 0.117964 LDB: Average compute 0.001704 is 1.4% of average load 0.117964 LDB: TIME 3226.75 LOAD: AVG 0.117964 MAX 0.185682 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 3226.75 LOAD: AVG 0.117964 MAX 0.185682 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: TIME 3226.75 LOAD: AVG 0.117964 MAX 0.185682 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: ============== END OF LOAD BALANCING =============== 3226.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3226.76 PRESSURE: 1112400 79.2488 89.9036 -125.261 89.9038 -13.1423 -107.009 -125.262 -107.011 -135.9 GPRESSURE: 1112400 121.475 96.6977 -115.125 72.6071 -64.3304 -37.5035 -138.776 -131.597 -39.7525 PRESSAVG: 1112400 15.1202 -2.50839 30.1516 -2.50838 6.65704 -20.8824 30.1517 -20.8822 -3.13389 GPRESSAVG: 1112400 16.1429 -1.29082 30.6479 -2.906 7.08727 -21.527 31.019 -21.6992 -4.27732 TIMING: 1112400 CPU: 3223.66, 0.00293786/step Wall: 3223.66, 0.00293786/step, 3.17257 hours remaining, 206.574219 MB of memory in use. ENERGY: 1112400 753.9475 2020.1011 1962.0259 109.4827 -205974.9510 17674.1985 0.0000 0.0000 34364.6030 -149090.5923 300.1146 -183455.1953 -148991.0391 299.5311 -23.2644 5.7972 556708.1220 6.2145 6.3176 PRESSURE: 1112600 -168.681 -98.1919 51.1072 -98.1921 -20.9314 11.6753 51.1072 11.6738 259.841 GPRESSURE: 1112600 -80.6475 -126.008 55.5543 -74.9152 54.5233 -20.4259 153.689 0.92084 185.678 PRESSAVG: 1112600 50.6228 -22.3821 26.604 -22.3821 -6.74608 -58.4578 26.604 -58.4577 -20.9042 GPRESSAVG: 1112600 49.9112 -20.6787 26.0297 -22.8297 -5.8244 -56.1718 26.244 -56.8751 -20.9456 TIMING: 1112600 CPU: 3224.24, 0.00289291/step Wall: 3224.24, 0.00289291/step, 3.12386 hours remaining, 206.777344 MB of memory in use. ENERGY: 1112600 731.0795 2168.5195 1924.5525 117.4377 -206374.1977 17819.9088 0.0000 0.0000 34442.0362 -149170.6635 300.7909 -183612.6996 -149068.7086 299.9458 23.4094 53.1847 557073.9341 7.6575 7.7137 PRESSURE: 1112800 112.428 162.122 142.477 162.122 -35.2126 -46.8526 142.478 -46.8528 -59.6266 GPRESSURE: 1112800 148.293 136.183 82.9171 166.878 0.0147355 -31.9433 68.8639 -16.0997 -17.7158 PRESSAVG: 1112800 18.0383 -18.4862 49.0585 -18.4862 -8.27945 35.1278 49.0585 35.1278 8.16139 GPRESSAVG: 1112800 18.0357 -19.9828 49.939 -19.4359 -8.09829 34.1946 46.9569 35.5041 8.37666 TIMING: 1112800 CPU: 3224.82, 0.00289125/step Wall: 3224.82, 0.00289125/step, 3.1219 hours remaining, 206.777344 MB of memory in use. ENERGY: 1112800 723.8482 2135.9956 1918.8166 125.1350 -206121.7794 17804.0360 0.0000 0.0000 34363.6029 -149050.3451 300.1059 -183413.9480 -148949.3004 299.9540 5.8628 43.5307 556513.2458 5.9734 6.1047 PRESSURE: 1113000 -14.0023 13.224 -76.2629 13.2237 164.994 71.4138 -76.2625 71.4151 -5.94271 GPRESSURE: 1113000 29.6185 123.981 -151.018 -53.0564 228.051 82.7681 -29.3695 87.9362 -21.4972 PRESSAVG: 1113000 -28.9747 -10.0052 35.1363 -10.0053 62.5746 -8.39241 35.1362 -8.39238 -4.01959 GPRESSAVG: 1113000 -28.1155 -9.99891 34.3598 -8.35633 61.5311 -6.69238 36.9294 -11.4689 -4.08657 TIMING: 1113000 CPU: 3225.39, 0.00287634/step Wall: 3225.39, 0.00287634/step, 3.10565 hours remaining, 206.777344 MB of memory in use. ENERGY: 1113000 737.4080 2109.8935 1917.7999 118.7386 -206005.2822 17713.3647 0.0000 0.0000 34296.8943 -149111.1832 299.5233 -183408.0775 -149016.3039 299.8211 48.3497 78.7241 556109.3816 9.8601 9.7763 PRESSURE: 1113200 -215.408 12.0387 -27.0541 12.0391 -140.334 130.751 -27.0535 130.751 -138.11 GPRESSURE: 1113200 -170.98 108.26 66.0698 -71.8655 -77.0469 128.969 -11.2733 186.646 -154.898 PRESSAVG: 1113200 -13.626 21.0871 -22.2392 21.0871 -37.1448 52.7613 -22.2392 52.7613 18.2813 GPRESSAVG: 1113200 -14.8798 23.0485 -20.5502 18.538 -36.4229 49.6261 -24.2926 55.721 18.4447 TIMING: 1113200 CPU: 3225.97, 0.00289222/step Wall: 3225.97, 0.00289222/step, 3.12263 hours remaining, 206.777344 MB of memory in use. ENERGY: 1113200 785.7351 2128.4431 1927.0219 124.5757 -205992.8779 17730.8956 0.0000 0.0000 34082.0665 -149214.1400 297.6472 -183296.2065 -149112.1950 299.6526 -164.6170 -134.3082 558985.8235 -10.8298 -10.9527 PRESSURE: 1113400 -317.253 33.3126 129.012 33.3112 -260.343 111.528 129.011 111.529 -233.332 GPRESSURE: 1113400 -284.327 61.0372 145.439 -70.2244 -296.639 83.4319 89.5279 120.376 -129.968 PRESSAVG: 1113400 -32.2708 52.3784 42.8205 52.3783 12.4557 18.1158 42.8205 18.1158 32.4235 GPRESSAVG: 1113400 -31.1323 52.0085 42.2293 52.8242 10.7922 19.2244 43.1547 16.9901 33.0825 TIMING: 1113400 CPU: 3226.55, 0.00289685/step Wall: 3226.55, 0.00289685/step, 3.12747 hours remaining, 206.777344 MB of memory in use. ENERGY: 1113400 779.9454 2107.9579 1904.8195 107.3096 -205979.5283 17391.7681 0.0000 0.0000 34368.8257 -149318.9021 300.1515 -183687.7278 -149213.3261 299.3175 -270.3093 -236.9781 557344.1867 4.2028 4.2475 PRESSURE: 1113600 44.6766 15.7132 69.2658 15.713 -102.551 55.0745 69.2639 55.0731 -116.476 GPRESSURE: 1113600 69.477 -16.5569 45.3207 35.3998 -72.6683 44.2074 128.69 78.4248 -74.7709 PRESSAVG: 1113600 -66.679 -2.58521 -29.0938 -2.58527 19.8411 47.4637 -29.0939 47.4637 46.9528 GPRESSAVG: 1113600 -66.158 -4.15567 -29.035 -1.83715 20.8992 49.3062 -29.6589 47.5613 45.8565 TIMING: 1113600 CPU: 3227.13, 0.00288734/step Wall: 3227.13, 0.00288734/step, 3.11704 hours remaining, 206.777344 MB of memory in use. ENERGY: 1113600 747.9524 2107.1300 1932.9818 110.1398 -206056.0304 17688.1836 0.0000 0.0000 34287.1214 -149182.5214 299.4380 -183469.6428 -149083.3601 299.2616 -58.1169 -25.9874 557954.8550 0.0383 0.1992 PRESSURE: 1113800 -58.4434 40.6574 8.79024 40.6564 40.0477 -82.6338 8.79025 -82.6326 -19.1688 GPRESSURE: 1113800 -32.6566 28.3886 36.0844 71.4425 34.4714 -32.1233 -13.8772 -112.004 52.0699 PRESSAVG: 1113800 -9.24323 59.6361 16.7878 59.6363 -34.6912 18.2819 16.7878 18.2819 -28.8432 GPRESSAVG: 1113800 -11.0857 58.1703 16.1125 60.8083 -34.2855 17.0108 18.5252 19.059 -27.5711 TIMING: 1113800 CPU: 3227.71, 0.00290194/step Wall: 3227.71, 0.00290194/step, 3.13265 hours remaining, 206.777344 MB of memory in use. ENERGY: 1113800 728.6629 2134.8825 1918.2478 116.7646 -206502.0892 17980.3933 0.0000 0.0000 34356.3069 -149266.8311 300.0422 -183623.1380 -149168.6803 299.8719 -12.5215 17.9616 558065.0371 -24.2592 -24.3141 PRESSURE: 1114000 69.4925 14.1287 32.3839 14.1282 -140.449 -43.8415 32.3839 -43.8415 -4.22837 GPRESSURE: 1114000 59.9746 35.5693 4.35344 26.9012 -92.9771 17.5104 76.3745 25.076 46.928 PRESSAVG: 1114000 -54.2139 23.3307 -38.9444 23.3306 -18.3884 12.9675 -38.9444 12.9675 59.5669 GPRESSAVG: 1114000 -51.4953 22.7376 -37.576 21.7953 -18.5027 12.8734 -39.1159 10.9736 56.7543 TIMING: 1114000 CPU: 3228.29, 0.00289022/step Wall: 3228.29, 0.00289022/step, 3.11983 hours remaining, 206.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1114000 752.7807 2101.1932 1935.8562 117.1291 -206329.1241 17835.6052 0.0000 0.0000 34293.1649 -149293.3948 299.4907 -183586.5597 -149195.7155 299.5354 -25.0615 4.6418 557792.1885 -4.3451 -4.4146 PRESSURE: 1114200 -24.3326 114.537 -29.1783 114.537 -229.152 -185.344 -29.1782 -185.344 -104.82 GPRESSURE: 1114200 -6.99394 143.628 -77.5607 101.904 -174.636 -208.471 -2.40072 -137.473 -94.4349 PRESSAVG: 1114200 -18.1801 17.601 -15.8197 17.6009 -17.9291 -6.53569 -15.8197 -6.53573 36.5312 GPRESSAVG: 1114200 -18.6968 18.7541 -16.4719 17.0765 -17.6113 -6.06832 -14.2134 -6.79836 37.1854 TIMING: 1114200 CPU: 3228.87, 0.00289872/step Wall: 3228.87, 0.00289872/step, 3.12885 hours remaining, 206.777344 MB of memory in use. ENERGY: 1114200 761.6707 2120.9645 1938.4686 119.8903 -206250.0877 17857.4034 0.0000 0.0000 34067.8734 -149383.8168 297.5232 -183451.6902 -149291.6937 299.4761 -119.4348 -92.0217 558089.5489 0.1407 0.2924 PRESSURE: 1114400 -218.113 -27.0365 15.0306 -27.0365 -47.6355 -91.2974 15.0308 -91.2989 -265.896 GPRESSURE: 1114400 -211.963 0.298114 77.3391 53.5695 2.83485 -59.2229 -30.1891 -139.461 -239.508 PRESSAVG: 1114400 32.1829 39.412 30.4082 39.412 -15.7236 -5.26184 30.4082 -5.26193 -12.359 GPRESSAVG: 1114400 30.6266 39.3137 29.2928 39.2481 -14.7173 -5.58624 29.5414 -3.07044 -12.233 TIMING: 1114400 CPU: 3229.45, 0.00291601/step Wall: 3229.45, 0.00291601/step, 3.14734 hours remaining, 206.777344 MB of memory in use. ENERGY: 1114400 751.4960 2098.4180 1936.8631 117.2738 -205893.9719 17465.2111 0.0000 0.0000 33992.5699 -149532.1400 296.8656 -183524.7099 -149433.5158 298.3442 -177.2151 -149.5455 556494.6008 1.3668 1.2254 PRESSURE: 1114600 169.582 87.0657 -69.2024 87.0647 118.725 -53.9143 -69.2025 -53.914 -77.0668 GPRESSURE: 1114600 272.171 45.4581 -51.5686 157.164 169.294 10.5203 -96.8366 -82.2238 -136.173 PRESSAVG: 1114600 32.696 41.7543 29.5881 41.7543 30.75 0.131355 29.5881 0.131416 -50.0399 GPRESSAVG: 1114600 33.4891 41.2938 31.9031 41.8579 29.5657 1.4195 27.7268 -1.71241 -49.2672 TIMING: 1114600 CPU: 3230.03, 0.00290707/step Wall: 3230.03, 0.00290707/step, 3.13753 hours remaining, 206.777344 MB of memory in use. ENERGY: 1114600 746.5718 2066.6560 1943.2101 117.5082 -206572.8985 17931.0087 0.0000 0.0000 34145.8828 -149622.0609 298.2045 -183767.9438 -149522.9470 298.6141 70.4136 101.7641 555103.6630 4.4687 4.5959 PRESSURE: 1114800 -239.201 73.8319 102.582 73.8304 -264.908 49.488 102.583 49.4867 -44.5321 GPRESSURE: 1114800 -200.876 138.844 119.764 92.8676 -275.96 18.0449 46.3582 17.7672 26.166 PRESSAVG: 1114800 23.1499 -33.6201 26.6936 -33.62 3.838 -9.96049 26.6936 -9.9606 14.4889 GPRESSAVG: 1114800 22.8061 -32.1597 24.5526 -32.6515 4.7078 -10.3073 26.4267 -9.05077 14.5382 TIMING: 1114800 CPU: 3230.61, 0.00287029/step Wall: 3230.61, 0.00287029/step, 3.09768 hours remaining, 206.777344 MB of memory in use. ENERGY: 1114800 732.8400 2052.5139 1910.8418 104.1685 -206303.1441 17659.9397 0.0000 0.0000 34179.2961 -149663.5440 298.4963 -183842.8401 -149560.2741 298.4157 -182.8801 -150.2232 557900.4266 13.8256 14.0174 PRESSURE: 1115000 20.2849 111.397 -85.416 111.398 -36.3477 -0.868049 -85.4162 -0.86761 27.6704 GPRESSURE: 1115000 16.6597 -11.2512 -133.895 181.162 11.7993 -57.2471 -60.468 37.8404 80.9653 PRESSAVG: 1115000 37.4435 -10.3957 32.1845 -10.3956 -11.2341 -41.6717 32.1844 -41.6717 8.63656 GPRESSAVG: 1115000 38.0453 -9.33868 33.035 -10.551 -12.5585 -43.0686 32.3431 -41.1258 9.52085 TIMING: 1115000 CPU: 3231.19, 0.0029177/step Wall: 3231.19, 0.0029177/step, 3.14869 hours remaining, 206.777344 MB of memory in use. ENERGY: 1115000 740.4867 2088.6987 1923.7676 116.6323 -206423.3899 17728.1725 0.0000 0.0000 34221.5163 -149604.1158 298.8650 -183825.6321 -149508.4422 298.6590 3.8692 36.4748 557017.1029 11.6153 11.6692 PRESSURE: 1115200 140.007 -167.069 20.2627 -167.071 318.869 -109.135 20.2627 -109.134 65.7595 GPRESSURE: 1115200 172.573 -119.333 0.112556 -66.6446 317.385 -77.726 99.9095 -151.061 112.037 PRESSAVG: 1115200 46.6583 -17.7806 21.4728 -17.7806 6.46581 5.04825 21.4727 5.04819 -29.2465 GPRESSAVG: 1115200 47.0308 -18.1006 20.3093 -17.8515 5.51039 6.10029 23.5648 2.73438 -28.8161 TIMING: 1115200 CPU: 3231.78, 0.00293283/step Wall: 3231.78, 0.00293283/step, 3.16485 hours remaining, 206.777344 MB of memory in use. ENERGY: 1115200 716.8800 2128.4385 1957.1571 120.4815 -206413.3502 17950.3855 0.0000 0.0000 34083.2517 -149456.7560 297.6575 -183540.0076 -149367.7727 298.3381 174.8784 200.6652 556894.8925 7.9592 7.9084 PRESSURE: 1115400 -260.928 150.384 -110.984 150.385 -302.781 95.9387 -110.982 95.9387 184.907 GPRESSURE: 1115400 -216.321 24.4328 -88.9774 203.452 -273.265 57.156 -122.253 49.1422 203.595 PRESSAVG: 1115400 -49.395 10.036 18.4839 10.036 22.1029 52.5522 18.4839 52.5522 44.0563 GPRESSAVG: 1115400 -50.2578 9.62284 18.1068 10.4725 23.2908 52.8582 18.379 53.6026 43.8688 TIMING: 1115400 CPU: 3232.36, 0.00289629/step Wall: 3232.36, 0.00289629/step, 3.12525 hours remaining, 206.777344 MB of memory in use. ENERGY: 1115400 771.3252 2075.1922 1939.7187 114.9921 -206058.0419 17647.9469 0.0000 0.0000 34256.7795 -149252.0874 299.1730 -183508.8669 -149146.8313 299.1334 -126.2675 -95.3305 558245.9958 5.5881 5.6339 PRESSURE: 1115600 215.514 66.5978 -95.7635 66.5975 -69.8819 -13.0014 -95.7643 -13.0005 -28.3713 GPRESSURE: 1115600 242.156 79.3203 -200.664 10.2062 -27.4797 -42.9099 -38.8006 65.2004 -4.02467 PRESSAVG: 1115600 -17.6694 0.578349 -0.110273 0.578404 -40.2878 44.8946 -0.110248 44.8947 67.0477 GPRESSAVG: 1115600 -17.9143 -0.623757 2.24843 -0.96664 -39.5731 44.2507 -4.33052 45.596 66.1337 TIMING: 1115600 CPU: 3232.93, 0.00289358/step Wall: 3232.93, 0.00289358/step, 3.12218 hours remaining, 206.777344 MB of memory in use. ENERGY: 1115600 760.8038 2128.1616 1939.6798 111.8207 -206215.5267 18018.3243 0.0000 0.0000 33986.0717 -149270.6647 296.8088 -183256.7364 -149180.9385 299.0335 39.0870 70.2173 557693.1167 3.0302 2.8821 PRESSURE: 1115800 349.046 5.09929 -6.08544 5.10016 39.1856 -116.069 -6.08513 -116.07 311.117 GPRESSURE: 1115800 320.083 -42.9681 -43.5562 -21.1885 73.0528 -124.57 -28.5553 -148.006 417.098 PRESSAVG: 1115800 -0.393729 -0.123887 50.7088 -0.123776 -54.2268 -9.45841 50.7088 -9.4584 47.8251 GPRESSAVG: 1115800 -1.45002 -0.116468 50.4764 0.865514 -54.5027 -10.6201 50.8276 -10.027 49.3605 TIMING: 1115800 CPU: 3233.51, 0.0028935/step Wall: 3233.51, 0.0028935/step, 3.12193 hours remaining, 206.777344 MB of memory in use. ENERGY: 1115800 747.1225 2100.1835 1947.2335 106.6330 -206459.4615 18119.9471 0.0000 0.0000 34198.3653 -149239.9766 298.6628 -183438.3419 -149142.9965 299.2185 233.1161 270.0778 555462.3297 -2.2651 -2.1974 PRESSURE: 1116000 -11.4221 -100.425 -99.0604 -100.425 -193.686 218.076 -99.0599 218.077 -209.32 GPRESSURE: 1116000 -27.8356 -94.9208 -144.22 -85.9838 -133.359 122.355 -133.568 259.435 -150.716 PRESSAVG: 1116000 -3.48504 75.6983 13.63 75.6982 -6.52783 -17.0729 13.6299 -17.0731 34.6165 GPRESSAVG: 1116000 -1.82673 75.6804 12.0934 75.889 -5.98223 -16.2518 15.91 -18.0009 32.4203 TIMING: 1116000 CPU: 3234.09, 0.00288986/step Wall: 3234.09, 0.00288986/step, 3.11784 hours remaining, 206.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1116000 769.3909 2131.8213 1962.8484 103.6390 -206384.5279 17759.3327 0.0000 0.0000 34421.1875 -149236.3081 300.6088 -183657.4956 -149140.7799 299.7389 -138.1426 -103.9703 557127.8527 8.2012 8.2038 PRESSURE: 1116200 -35.854 -133.704 60.8453 -133.704 -317.373 50.8476 60.8442 50.8474 -296.534 GPRESSURE: 1116200 -3.96117 -139.871 128.694 -153.788 -311.671 69.8694 23.6886 -9.48843 -240.411 PRESSAVG: 1116200 4.6581 1.03952 15.6732 1.03954 11.8745 43.5249 15.6731 43.525 -0.379199 GPRESSAVG: 1116200 3.63053 -0.034314 14.8563 1.23198 11.117 44.251 15.191 41.8679 1.03922 TIMING: 1116200 CPU: 3234.67, 0.00287792/step Wall: 3234.67, 0.00287792/step, 3.10479 hours remaining, 206.777344 MB of memory in use. ENERGY: 1116200 762.1694 2070.0650 1939.1598 121.4703 -205989.2230 17541.1276 0.0000 0.0000 34383.8766 -149171.3543 300.2829 -183555.2309 -149081.3824 300.0022 -216.5871 -185.3478 557450.8102 5.3845 5.2623 LDB: ============= START OF LOAD BALANCING ============== 3238.05 LDB: ============== END OF LOAD BALANCING =============== 3238.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3238.06 LDB: ============= START OF LOAD BALANCING ============== 3238.35 LDB: Largest compute 4822 load 0.023501 is 19.9% of average load 0.117925 LDB: Average compute 0.001707 is 1.4% of average load 0.117925 LDB: TIME 3238.35 LOAD: AVG 0.117925 MAX 0.182199 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 3238.35 LOAD: AVG 0.117925 MAX 0.182199 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: TIME 3238.35 LOAD: AVG 0.117925 MAX 0.182199 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3238.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3238.36 PRESSURE: 1116400 -128.469 7.90428 67.775 7.90411 -347.822 -2.21323 67.7749 -2.21279 25.4198 GPRESSURE: 1116400 -128.072 -41.2215 63.4417 40.3577 -250.439 10.6163 -10.0462 -38.2858 25.2759 PRESSAVG: 1116400 -28.66 -37.0331 48.034 -37.0331 4.05678 21.235 48.0339 21.235 -16.7247 GPRESSAVG: 1116400 -28.3004 -34.134 48.1266 -38.6664 4.50685 20.1503 49.7211 23.3959 -17.34 TIMING: 1116400 CPU: 3235.26, 0.00296796/step Wall: 3235.26, 0.00296796/step, 3.20177 hours remaining, 207.531250 MB of memory in use. ENERGY: 1116400 752.1889 2039.0328 1922.0040 101.4081 -205983.4580 17641.3653 0.0000 0.0000 34342.6386 -149184.8204 299.9228 -183527.4590 -149079.8269 299.4068 -150.2902 -117.7449 557013.3926 -13.7760 -13.7112 PRESSURE: 1116600 -188.49 -64.8915 -41.1206 -64.8918 -175.399 -31.9587 -41.1224 -31.9588 -281.503 GPRESSURE: 1116600 -119.2 -67.1683 -38.5776 -17.7128 -158.446 -9.50672 6.95002 -40.1006 -277.571 PRESSAVG: 1116600 100.433 49.3528 -25.8274 49.3528 -6.62005 -8.39593 -25.8274 -8.396 -47.1979 GPRESSAVG: 1116600 100.025 47.5323 -24.64 51.2323 -5.67454 -5.75026 -27.533 -9.39437 -47.6199 TIMING: 1116600 CPU: 3235.83, 0.00287402/step Wall: 3235.83, 0.00287402/step, 3.10027 hours remaining, 207.730469 MB of memory in use. ENERGY: 1116600 782.5186 2105.0800 1906.8453 106.3845 -206043.9122 17595.3220 0.0000 0.0000 34560.8940 -148986.8677 301.8289 -183547.7618 -148890.9597 299.9680 -215.1305 -185.0726 556836.9707 15.5382 15.5768 PRESSURE: 1116800 -28.1807 35.1947 96.8811 35.1957 260.087 -65.6661 96.8819 -65.6672 29.8427 GPRESSURE: 1116800 -32.5206 -82.6467 51.0347 27.5625 313.946 -55.3597 126.218 -68.5931 88.1151 PRESSAVG: 1116800 45.0913 3.65909 -9.74195 3.65904 11.3885 12.7288 -9.74201 12.7287 -46.3712 GPRESSAVG: 1116800 45.2882 3.77418 -9.43706 3.27037 11.6809 11.0904 -8.68434 13.8454 -46.7452 TIMING: 1116800 CPU: 3236.41, 0.00286153/step Wall: 3236.41, 0.00286153/step, 3.08664 hours remaining, 207.730469 MB of memory in use. ENERGY: 1116800 777.9234 2081.0931 1941.6167 107.1600 -206230.4133 18034.5863 0.0000 0.0000 34502.7406 -148785.2932 301.3210 -183288.0339 -148688.8161 300.1945 87.2498 123.1801 557555.3082 3.3695 3.4080 PRESSURE: 1117000 139.616 -82.7394 -15.7759 -82.7386 -17.3228 43.6347 -15.7766 43.6339 -9.79965 GPRESSURE: 1117000 148.571 -8.02883 -21.3012 -106.074 29.6748 16.557 13.9225 91.4286 37.1621 PRESSAVG: 1117000 20.0651 -19.5444 -31.2757 -19.5445 26.7722 42.7001 -31.2757 42.7002 -77.292 GPRESSAVG: 1117000 20.6179 -18.5207 -31.0801 -21.2277 25.9616 42.0517 -33.2772 44.6089 -76.8212 TIMING: 1117000 CPU: 3236.98, 0.00288274/step Wall: 3236.98, 0.00288274/step, 3.10936 hours remaining, 207.730469 MB of memory in use. ENERGY: 1117000 736.3608 2134.5582 1950.9844 124.7212 -205950.3517 17698.8628 0.0000 0.0000 34526.7077 -148778.1566 301.5303 -183304.8643 -148678.1173 300.7840 37.4979 71.8025 556681.2900 -10.1516 -10.0806 PRESSURE: 1117200 21.753 64.8873 166.178 64.8871 -111.705 141.762 166.178 141.761 -312.572 GPRESSURE: 1117200 39.5199 70.039 77.9954 10.3909 -63.2821 20.5942 211.24 238.416 -291.305 PRESSAVG: 1117200 37.4987 14.6607 32.5783 14.6607 27.5879 -13.5743 32.5782 -13.5743 -73.6258 GPRESSAVG: 1117200 38.0733 16.5809 30.7276 14.0112 27.1982 -13.2121 33.6464 -16.8389 -73.3639 TIMING: 1117200 CPU: 3237.56, 0.00287691/step Wall: 3237.56, 0.00287691/step, 3.1029 hours remaining, 207.742188 MB of memory in use. ENERGY: 1117200 773.3361 2109.2977 1927.5580 120.6175 -205544.6101 17496.9392 0.0000 0.0000 34591.8525 -148525.0090 302.0993 -183116.8615 -148427.1145 301.0937 -134.1748 -105.0225 558578.1887 -2.8464 -2.6974 PRESSURE: 1117400 -215.516 88.5058 23.9912 88.5057 34.0097 -41.6142 23.9911 -41.6156 0.525116 GPRESSURE: 1117400 -141.779 1.86257 59.6459 89.6622 78.2742 -3.73361 -3.34449 -87.4394 -15.1596 PRESSAVG: 1117400 -20.9653 11.7275 61.7036 11.7274 81.0915 0.971091 61.7037 0.971101 -45.7752 GPRESSAVG: 1117400 -20.9547 9.52265 62.1591 12.8821 81.8418 0.390523 63.1005 2.65806 -46.178 TIMING: 1117400 CPU: 3238.14, 0.00290401/step Wall: 3238.14, 0.00290401/step, 3.13197 hours remaining, 207.742188 MB of memory in use. ENERGY: 1117400 738.3836 2101.8794 1950.2388 125.8394 -205308.2997 17588.6739 0.0000 0.0000 34397.1697 -148406.1149 300.3990 -182803.2846 -148305.7221 300.9023 -60.3269 -26.2215 559153.0066 4.7837 4.9031 PRESSURE: 1117600 8.67388 -209.278 17.2493 -209.279 -6.72217 166.06 17.2512 166.06 107.927 GPRESSURE: 1117600 73.8265 -184.386 -43.3213 -118.136 26.0803 170.945 170.084 148.241 113.313 PRESSAVG: 1117600 -1.39437 3.06833 50.469 3.06821 -10.1251 34.4474 50.4691 34.4476 -9.13231 GPRESSAVG: 1117600 -1.60187 3.6132 50.7431 3.1876 -10.5971 35.2249 50.6525 35.5008 -8.64976 TIMING: 1117600 CPU: 3238.72, 0.00290242/step Wall: 3238.72, 0.00290242/step, 3.1301 hours remaining, 207.742188 MB of memory in use. ENERGY: 1117600 735.9904 2157.2731 1944.7662 116.6987 -205709.6334 17741.3329 0.0000 0.0000 34576.4687 -148437.1035 301.9649 -183013.5722 -148345.5436 302.1086 36.6262 71.0733 558856.9224 -6.8839 -6.9496 PRESSURE: 1117800 -158.635 -83.2258 -39.5887 -83.2254 104.192 88.5149 -39.5885 88.5151 100.274 GPRESSURE: 1117800 -139.218 -99.731 7.71225 -115.593 139.029 85.0854 -105.07 41.3757 147.299 PRESSAVG: 1117800 -27.6186 -24.1201 -23.1386 -24.1201 -4.1805 33.8973 -23.1386 33.8974 11.4385 GPRESSAVG: 1117800 -28.5718 -23.0579 -23.0781 -22.8828 -2.99755 32.313 -23.5191 33.1217 11.4721 TIMING: 1117800 CPU: 3239.3, 0.00290074/step Wall: 3239.3, 0.00290074/step, 3.12813 hours remaining, 207.742188 MB of memory in use. ENERGY: 1117800 733.7284 2123.5876 1929.5327 109.2444 -205558.1815 17568.3015 0.0000 0.0000 34485.8720 -148607.9150 301.1737 -183093.7869 -148513.8718 301.1749 15.2768 49.0365 557653.4036 -6.7869 -6.6991 PRESSURE: 1118000 161.671 110.424 3.20196 110.423 62.2817 -0.446351 3.20159 -0.446783 -39.0154 GPRESSURE: 1118000 227.995 139.003 -85.5747 110.012 43.3052 -29.7217 52.3768 -1.57689 19.0987 PRESSAVG: 1118000 -32.6141 -52.8659 -32.8126 -52.8659 9.77177 18.9306 -32.8126 18.9305 27.8784 GPRESSAVG: 1118000 -31.8454 -52.3157 -33.6556 -53.3468 8.33362 22.1208 -34.503 18.196 28.4845 TIMING: 1118000 CPU: 3239.88, 0.00288704/step Wall: 3239.88, 0.00288704/step, 3.11319 hours remaining, 207.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1118000 752.8179 2080.5965 1965.6045 120.1400 -206135.9312 17860.1561 0.0000 0.0000 34591.2999 -148765.3163 302.0944 -183356.6163 -148664.0941 300.7574 61.6458 96.7997 556611.2052 1.6787 1.6576 PRESSURE: 1118200 -171.79 -8.51656 59.7126 -8.51688 -59.2505 -20.6449 59.7125 -20.6439 271.707 GPRESSURE: 1118200 -68.2727 16.877 35.1669 96.5849 -77.1266 -65.2707 -23.5264 -13.5337 289.416 PRESSAVG: 1118200 -95.5554 -9.35519 -7.63028 -9.35513 40.3126 -0.994516 -7.63039 -0.994437 53.4072 GPRESSAVG: 1118200 -95.8404 -9.89403 -7.03061 -10.4258 41.527 -1.46686 -5.6472 -1.60647 52.8275 TIMING: 1118200 CPU: 3240.46, 0.00289477/step Wall: 3240.46, 0.00289477/step, 3.12137 hours remaining, 207.742188 MB of memory in use. ENERGY: 1118200 764.1150 2068.3758 1957.6082 113.1636 -205910.0105 17744.6543 0.0000 0.0000 34410.2881 -148851.8055 300.5136 -183262.0936 -148747.9890 300.7992 13.5554 48.0057 556460.7896 -0.6119 -0.4953 PRESSURE: 1118400 -152.058 114.844 43.6988 114.844 142.094 -247.717 43.6974 -247.718 4.47015 GPRESSURE: 1118400 -83.1065 92.8428 95.4474 143.537 180.379 -145.406 84.4176 -236.571 -5.08278 PRESSAVG: 1118400 -36.0297 4.68774 2.14596 4.68783 3.1866 -54.8484 2.14587 -54.8484 45.5587 GPRESSAVG: 1118400 -34.8252 5.15292 3.066 5.46664 2.07934 -54.9253 1.94485 -53.4738 45.0115 TIMING: 1118400 CPU: 3241.04, 0.00289693/step Wall: 3241.04, 0.00289693/step, 3.12354 hours remaining, 207.742188 MB of memory in use. ENERGY: 1118400 740.4412 2114.3583 1935.6545 117.1432 -205767.6706 17553.0994 0.0000 0.0000 34540.0346 -148766.9393 301.6467 -183306.9739 -148669.2659 300.5717 -1.8313 30.7300 557131.9188 4.2385 4.0886 PRESSURE: 1118600 -273.26 82.279 -62.203 82.2777 196.486 -55.0362 -62.2038 -55.0363 -172.525 GPRESSURE: 1118600 -193.373 -5.84546 -46.9484 5.38308 176.438 -11.842 -140.321 -49.9591 -141.834 PRESSAVG: 1118600 -36.0478 -35.7674 50.2229 -35.7674 -3.65154 -13.8751 50.2227 -13.8751 29.0601 GPRESSAVG: 1118600 -36.8087 -36.4471 49.6004 -36.5987 -3.38212 -14.6028 48.5304 -13.8811 29.3726 TIMING: 1118600 CPU: 3241.62, 0.00291029/step Wall: 3241.62, 0.00291029/step, 3.13778 hours remaining, 207.742188 MB of memory in use. ENERGY: 1118600 812.4479 2112.1095 1930.0446 110.4657 -205984.2644 17706.2242 0.0000 0.0000 34519.5654 -148793.4071 301.4680 -183312.9725 -148694.0754 300.3560 -83.0997 -52.9232 558720.1042 -3.5464 -3.6061 PRESSURE: 1118800 -83.3712 -0.82688 33.3569 -0.826519 215.741 -16.3006 33.3567 -16.3022 74.527 GPRESSURE: 1118800 -109.094 33.8515 39.6381 -44.6103 250.299 -11.1306 -5.05651 -7.19129 163.391 PRESSAVG: 1118800 -63.5642 11.8996 -75.4496 11.8995 9.90721 11.3849 -75.4496 11.3849 4.86513 GPRESSAVG: 1118800 -63.5708 11.2737 -75.3085 13.9671 9.59334 10.0359 -75.8184 11.8232 5.44074 TIMING: 1118800 CPU: 3242.2, 0.00289359/step Wall: 3242.2, 0.00289359/step, 3.11961 hours remaining, 207.742188 MB of memory in use. ENERGY: 1118800 734.7551 2123.7330 1955.8088 125.2149 -205805.2840 17734.7709 0.0000 0.0000 34377.6354 -148753.3659 300.2284 -183131.0014 -148654.3517 300.2891 68.9657 101.5320 557708.5017 -16.2639 -16.1789 PRESSURE: 1119000 -116.724 51.4972 4.79645 51.4969 -64.7537 -54.7867 4.79662 -54.7866 42.2133 GPRESSURE: 1119000 -56.3051 44.3737 59.9151 118.615 5.54608 -37.3052 17.2093 -16.3382 17.691 PRESSAVG: 1119000 -6.16257 29.271 -69.9167 29.271 36.2787 -44.835 -69.9166 -44.835 18.532 GPRESSAVG: 1119000 -5.71178 29.6427 -70.3704 27.6284 36.7234 -43.2051 -68.2301 -45.7813 17.8958 TIMING: 1119000 CPU: 3242.77, 0.00289039/step Wall: 3242.77, 0.00289039/step, 3.116 hours remaining, 207.742188 MB of memory in use. ENERGY: 1119000 795.5915 2096.9741 1920.8052 108.1588 -206059.8960 17872.6116 0.0000 0.0000 34535.8968 -148729.8580 301.6106 -183265.7548 -148625.5139 301.3588 -46.4215 -11.0227 558246.1870 16.2161 16.3025 PRESSURE: 1119200 81.8996 216.449 -53.3983 216.448 131.232 -41.6311 -53.3979 -41.632 -88.9902 GPRESSURE: 1119200 139.342 145.234 -48.8778 223.464 143.373 47.1095 2.81073 -135.373 -70.434 PRESSAVG: 1119200 -7.58683 27.0142 23.6539 27.0142 38.8118 -33.8155 23.6539 -33.8155 -11.6536 GPRESSAVG: 1119200 -7.25942 26.925 23.5177 28.3557 38.6228 -34.8909 23.6833 -34.5726 -11.5049 TIMING: 1119200 CPU: 3243.36, 0.00290134/step Wall: 3243.36, 0.00290134/step, 3.12764 hours remaining, 207.742188 MB of memory in use. ENERGY: 1119200 758.8642 2099.4638 1937.1503 117.1221 -206177.2537 18019.1026 0.0000 0.0000 34342.5156 -148903.0350 299.9217 -183245.5506 -148815.5663 300.4084 41.3804 70.7603 558107.5053 6.5238 6.6195 PRESSURE: 1119400 -62.4143 137.012 -70.6507 137.012 -134.616 45.7587 -70.6515 45.7584 108.932 GPRESSURE: 1119400 16.8373 84.9866 -68.8017 57.6689 -95.8702 76.9377 -24.9002 87.9007 92.7949 PRESSAVG: 1119400 -32.0989 -4.74195 57.4223 -4.74195 42.6232 55.1192 57.4222 55.1193 -7.07605 GPRESSAVG: 1119400 -32.972 -3.38174 57.1118 -5.36628 43.9511 54.1956 57.4933 56.9604 -7.77905 TIMING: 1119400 CPU: 3243.93, 0.00289337/step Wall: 3243.93, 0.00289337/step, 3.11889 hours remaining, 207.742188 MB of memory in use. ENERGY: 1119400 715.1231 2050.7660 1927.3212 116.6197 -205754.1246 17659.0453 0.0000 0.0000 34278.9180 -149006.3312 299.3663 -183285.2492 -148913.9242 300.2396 -29.3660 4.5873 557613.0019 1.1494 1.0667 PRESSURE: 1119600 131.087 -59.1964 16.1426 -59.1972 22.5802 -105.959 16.1417 -105.96 -254.031 GPRESSURE: 1119600 121.676 -77.3104 -17.6655 23.9711 5.70012 -97.5772 88.2943 -65.6875 -138.71 PRESSAVG: 1119600 3.63971 -20.6905 -28.0524 -20.6904 12.0864 36.232 -28.0525 36.232 3.03736 GPRESSAVG: 1119600 3.76432 -22.3838 -29.1791 -18.1248 11.4166 38.2985 -27.229 35.5038 4.03071 TIMING: 1119600 CPU: 3244.51, 0.00289214/step Wall: 3244.51, 0.00289214/step, 3.1174 hours remaining, 207.742188 MB of memory in use. ENERGY: 1119600 764.3077 2095.1929 1914.5853 115.3095 -206113.4030 17825.6049 0.0000 0.0000 34446.7018 -148951.7009 300.8316 -183398.4027 -148860.0146 299.5965 -33.4547 -3.7779 556550.5030 6.2545 6.4039 PRESSURE: 1119800 -111.388 -41.7244 -6.59583 -41.7243 67.4337 -79.0628 -6.59729 -79.0632 -123.916 GPRESSURE: 1119800 -132.123 -103.747 38.3898 -2.77215 148.817 14.2644 48.1434 -137.141 -84.2402 PRESSAVG: 1119800 31.1058 13.4081 -44.6421 13.4082 14.1942 -63.1334 -44.6421 -63.1333 -25.861 GPRESSAVG: 1119800 31.2499 14.5185 -42.4791 10.1601 15.4306 -63.6284 -45.8514 -64.614 -26.4491 TIMING: 1119800 CPU: 3245.09, 0.00288664/step Wall: 3245.09, 0.00288664/step, 3.11132 hours remaining, 207.742188 MB of memory in use. ENERGY: 1119800 782.7086 2075.0279 1910.9701 103.1154 -205558.8754 17553.6430 0.0000 0.0000 34061.2413 -149072.1691 297.4653 -183133.4104 -148969.3455 299.9482 -55.9567 -22.5155 556830.8510 6.4797 6.7438 PRESSURE: 1120000 -140.601 0.616182 63.0108 0.616379 186.009 -88.1422 63.012 -88.1412 -294.859 GPRESSURE: 1120000 -62.1921 37.6124 101.474 -68.4024 223.877 -80.7658 77.6695 -42.4944 -298.145 PRESSAVG: 1120000 -37.2374 -4.74384 -4.62547 -4.74388 6.63296 -33.6602 -4.6254 -33.6604 14.4529 GPRESSAVG: 1120000 -35.7436 -5.23824 -4.30226 -4.89879 5.87423 -34.8466 -6.1626 -31.1902 13.828 TIMING: 1120000 CPU: 3245.67, 0.00288547/step Wall: 3245.67, 0.00288547/step, 3.1099 hours remaining, 207.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1120000 799.5643 2018.3099 1928.8597 109.6149 -206219.5176 17824.6202 0.0000 0.0000 34462.3436 -149076.2049 300.9682 -183538.5485 -148975.8595 299.4800 -83.1505 -45.4866 556359.4281 -5.3838 -5.3471 PRESSURE: 1120200 189.905 -50.9043 70.1988 -50.9047 -1.92439 50.4382 70.1973 50.4369 50.0589 GPRESSURE: 1120200 176.25 -76.0118 42.2373 -36.5464 34.8173 -0.729115 103.477 49.255 126.369 PRESSAVG: 1120200 50.9541 -25.2061 -35.3607 -25.2061 7.02917 -42.4738 -35.3607 -42.4737 -22.4123 GPRESSAVG: 1120200 49.6504 -25.0221 -36.9458 -23.8306 6.32071 -41.0514 -34.1435 -42.8758 -20.9849 TIMING: 1120200 CPU: 3246.24, 0.00288712/step Wall: 3246.24, 0.00288712/step, 3.11151 hours remaining, 207.742188 MB of memory in use. ENERGY: 1120200 771.7563 2105.6480 1910.7881 105.4465 -206499.7248 18067.7338 0.0000 0.0000 34450.6009 -149087.7512 300.8657 -183538.3521 -148987.4474 300.0177 79.3466 112.4788 557703.6127 11.8570 11.6621 LDB: ============= START OF LOAD BALANCING ============== 3249.63 LDB: ============== END OF LOAD BALANCING =============== 3249.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3249.63 LDB: ============= START OF LOAD BALANCING ============== 3249.91 LDB: Largest compute 4822 load 0.023299 is 19.7% of average load 0.118048 LDB: Average compute 0.001705 is 1.4% of average load 0.118048 LDB: TIME 3249.92 LOAD: AVG 0.118048 MAX 0.182503 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 3249.92 LOAD: AVG 0.118048 MAX 0.182503 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: TIME 3249.92 LOAD: AVG 0.118048 MAX 0.182503 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3249.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3249.92 PRESSURE: 1120400 -284.144 14.8623 -61.5801 14.8628 -206.78 -13.3172 -61.5796 -13.3166 -25.4041 GPRESSURE: 1120400 -241.255 7.91255 -52.1534 51.4523 -165.892 -47.3218 -62.0091 25.5227 -11.5061 PRESSAVG: 1120400 -21.989 -35.2273 -1.10764 -35.2272 6.4693 -76.1378 -1.1076 -76.1379 -4.30342 GPRESSAVG: 1120400 -20.8201 -35.2677 1.39207 -34.235 8.44247 -76.8929 -0.613305 -76.5527 -7.35805 TIMING: 1120400 CPU: 3246.83, 0.00291875/step Wall: 3246.83, 0.00291875/step, 3.14544 hours remaining, 206.773438 MB of memory in use. ENERGY: 1120400 760.3688 2162.0290 1924.9305 119.9281 -205643.9456 17517.8475 0.0000 0.0000 34140.9858 -149017.8557 298.1617 -183158.8416 -148921.7553 299.7091 -172.1094 -139.5510 560072.4280 -6.6077 -6.5785 PRESSURE: 1120600 306.747 39.7211 250.884 39.7222 22.5153 11.7693 250.884 11.7688 0.682867 GPRESSURE: 1120600 349.902 -7.70721 231.347 96.3532 0.672256 31.3783 211.447 -4.49236 92.332 PRESSAVG: 1120600 -1.83067 27.8741 5.61037 27.8741 -54.2172 -15.6485 5.6104 -15.6485 58.0365 GPRESSAVG: 1120600 -2.47333 26.1644 5.09678 28.5314 -55.144 -15.1268 5.21136 -14.4734 59.8273 TIMING: 1120600 CPU: 3247.41, 0.0028962/step Wall: 3247.41, 0.0028962/step, 3.12098 hours remaining, 206.773438 MB of memory in use. ENERGY: 1120600 749.2386 2090.3855 1955.8260 123.9616 -206040.9996 17967.2436 0.0000 0.0000 34390.3218 -148764.0225 300.3392 -183154.3443 -148667.7687 299.9542 109.9817 147.6355 557454.4003 0.6629 0.7367 PRESSURE: 1120800 -78.0011 135.993 0.309592 135.994 19.8941 52.6356 0.309729 52.6366 5.49077 GPRESSURE: 1120800 -68.3676 136.322 -28.3665 154.54 72.3182 32.9217 -13.7579 95.9633 41.5038 PRESSAVG: 1120800 71.2972 25.0033 -1.44628 25.0032 -76.3013 113.912 -1.44626 113.912 -22.6919 GPRESSAVG: 1120800 71.2431 26.6075 -3.24087 25.2998 -76.5123 115.512 -1.35775 110.327 -22.9804 TIMING: 1120800 CPU: 3247.98, 0.00288097/step Wall: 3247.98, 0.00288097/step, 3.10441 hours remaining, 206.773438 MB of memory in use. ENERGY: 1120800 773.4574 2117.2802 1931.2746 120.7218 -206037.9066 17867.0301 0.0000 0.0000 34322.1624 -148905.9801 299.7440 -183228.1425 -148814.7689 300.3985 -17.5387 15.1515 559011.3469 -9.2320 -9.4165 PRESSURE: 1121000 17.5037 -89.806 162 -89.8056 50.6746 -3.70731 162.001 -3.70895 -34.6483 GPRESSURE: 1121000 50.2199 -89.1939 172.489 -141.174 112.346 -38.561 190.216 9.95428 -21.2812 PRESSAVG: 1121000 35.8051 26.7704 -21.4866 26.7705 -26.9283 80.222 -21.4867 80.2221 34.0671 GPRESSAVG: 1121000 34.6514 24.833 -20.3777 26.4288 -26.4104 78.0536 -21.198 81.937 34.5522 TIMING: 1121000 CPU: 3248.56, 0.00288608/step Wall: 3248.56, 0.00288608/step, 3.10975 hours remaining, 206.773438 MB of memory in use. ENERGY: 1121000 749.2728 2086.2238 1992.3851 111.2803 -206031.9733 17847.6074 0.0000 0.0000 34426.9440 -148818.2598 300.6591 -183245.2038 -148724.0797 300.2142 11.1767 47.0948 558725.1411 14.3146 14.2644 PRESSURE: 1121200 -44.7059 -76.9017 -52.9257 -76.9023 -169.084 120.345 -52.9263 120.344 -63.777 GPRESSURE: 1121200 -18.9392 -150.965 -10.3823 -12.6717 -135.587 129.061 -70.0597 110.302 -28.4459 PRESSAVG: 1121200 -8.01161 23.0938 46.7153 23.0938 11.0333 81.9398 46.7154 81.9397 -14.7774 GPRESSAVG: 1121200 -6.6841 24.1011 46.4569 21.9957 9.34309 81.4578 47.9103 82.4173 -14.2198 TIMING: 1121200 CPU: 3249.14, 0.00289234/step Wall: 3249.14, 0.00289234/step, 3.11634 hours remaining, 206.773438 MB of memory in use. ENERGY: 1121200 783.0515 2091.4013 1965.6109 113.3438 -205946.9994 17718.4817 0.0000 0.0000 34538.9142 -148736.1961 301.6369 -183275.1103 -148640.2057 300.5973 -92.5223 -60.9906 557477.1187 -3.9186 -3.8536 PRESSURE: 1121400 -54.1237 14.2859 -51.2511 14.2868 -289.831 33.2847 -51.2522 33.2851 40.034 GPRESSURE: 1121400 -78.5755 -102.853 -3.83798 81.978 -214.266 43.9482 -60.5591 7.91293 93.1724 PRESSAVG: 1121400 63.6662 31.5112 -1.06323 31.5112 -15.2043 2.42271 -1.06317 2.42274 -12.0687 GPRESSAVG: 1121400 61.7554 31.2181 -2.26352 32.2006 -12.0767 5.04941 -3.62034 -0.580655 -13.6088 TIMING: 1121400 CPU: 3249.71, 0.00287553/step Wall: 3249.71, 0.00287553/step, 3.09807 hours remaining, 206.773438 MB of memory in use. ENERGY: 1121400 775.0407 2084.1574 1954.5350 103.4182 -205772.0480 17741.9136 0.0000 0.0000 34331.1480 -148781.8351 299.8225 -183112.9831 -148685.2678 300.5239 -101.3071 -66.5563 558607.2966 12.1311 12.0233 PRESSURE: 1121600 -114.245 16.7327 -41.406 16.7322 23.1231 105.662 -41.4052 105.661 38.9477 GPRESSURE: 1121600 -102.414 7.27527 -32.4054 35.4492 88.6165 68.2619 -108.135 122.571 58.1082 PRESSAVG: 1121600 7.07234 -2.38783 -15.1429 -2.38793 29.3904 45.8327 -15.1429 45.8328 -33.0934 GPRESSAVG: 1121600 7.89991 -4.35304 -15.4713 -2.28194 27.6691 44.1399 -14.2947 47.8986 -32.2951 TIMING: 1121600 CPU: 3250.29, 0.00290251/step Wall: 3250.29, 0.00290252/step, 3.12698 hours remaining, 206.773438 MB of memory in use. ENERGY: 1121600 749.2723 2047.1329 1943.2434 113.1462 -205887.3086 17641.0597 0.0000 0.0000 34375.2219 -149018.2321 300.2074 -183393.4540 -148911.0078 299.4721 -17.3915 14.7703 558022.5286 1.1231 1.0913 PRESSURE: 1121800 -110.882 43.5236 -4.64476 43.5217 180.141 82.3601 -4.64412 82.358 55.7568 GPRESSURE: 1121800 -91.6299 132.372 31.3045 1.33278 228.204 0.826173 15.7086 124.509 80.4973 PRESSAVG: 1121800 -19.3689 30.7246 -59.8776 30.7247 43.1116 26.1721 -59.8776 26.1721 -35.4836 GPRESSAVG: 1121800 -18.7355 30.7561 -59.2592 31.1546 42.6892 26.3958 -59.8873 28.048 -36.385 TIMING: 1121800 CPU: 3250.87, 0.0028858/step Wall: 3250.87, 0.0028858/step, 3.10881 hours remaining, 206.773438 MB of memory in use. ENERGY: 1121800 762.9179 2090.5661 1929.3636 106.1581 -206276.3733 17922.1788 0.0000 0.0000 34460.8850 -149004.3039 300.9555 -183465.1889 -148908.9799 299.7345 41.6719 72.3573 557692.5271 -3.9136 -4.1438 PRESSURE: 1122000 -176.588 -112.238 -19.0712 -112.238 -119.013 145.737 -19.0705 145.736 92.467 GPRESSURE: 1122000 -166.708 -159.885 -19.6067 -54.4478 -56.6636 117.207 -23.9754 102.126 117.235 PRESSAVG: 1122000 27.4549 26.4363 -59.4741 26.4362 14.9701 9.41557 -59.474 9.41558 -16.1934 GPRESSAVG: 1122000 27.789 28.9764 -60.8972 25.7017 15.6228 8.77087 -58.3875 7.44315 -16.92 TIMING: 1122000 CPU: 3251.45, 0.00289163/step Wall: 3251.45, 0.00289163/step, 3.11493 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1122000 762.3843 2141.8146 1920.2738 109.2899 -206266.1122 17855.0583 0.0000 0.0000 34492.5776 -148984.7137 301.2323 -183477.2913 -148877.5480 299.7511 -67.7113 -35.3789 558854.3256 8.7439 8.8306 PRESSURE: 1122200 79.5181 11.625 -15.2265 11.6256 109.684 60.7008 -15.2251 60.7 18.7422 GPRESSURE: 1122200 79.7495 62.4859 28.6084 34.1114 172.85 97.0896 33.4685 53.8668 49.714 PRESSAVG: 1122200 -43.6341 -29.3515 -15.1556 -29.3515 -38.7996 -24.5887 -15.1555 -24.5887 25.6319 GPRESSAVG: 1122200 -43.5585 -29.5054 -15.5568 -27.8464 -40.3486 -24.6117 -15.1528 -20.7351 26.6577 TIMING: 1122200 CPU: 3252.03, 0.00289441/step Wall: 3252.03, 0.00289441/step, 3.11776 hours remaining, 206.773438 MB of memory in use. ENERGY: 1122200 723.0136 2094.5234 1958.3151 115.0723 -206069.8307 17797.0422 0.0000 0.0000 34400.2279 -148981.6362 300.4257 -183381.8641 -148878.2147 300.1112 69.3147 100.7712 558355.2117 -18.9339 -19.0831 PRESSURE: 1122400 -74.673 22.2554 -92.8881 22.2562 -120.405 -31.875 -92.89 -31.8751 251.283 GPRESSURE: 1122400 -63.5665 -10.4691 -102.518 42.0479 -64.8365 -41.3146 -110.275 -30.7051 294.203 PRESSAVG: 1122400 -8.01846 1.60803 -34.0674 1.60798 -18.8081 -31.9489 -34.0673 -31.949 0.322325 GPRESSAVG: 1122400 -9.316 1.33688 -33.7036 0.342694 -17.2477 -31.7071 -34.2091 -33.0508 0.917705 TIMING: 1122400 CPU: 3252.61, 0.00289756/step Wall: 3252.61, 0.00289756/step, 3.12099 hours remaining, 206.773438 MB of memory in use. ENERGY: 1122400 743.2109 2151.5295 1919.6864 118.4382 -206213.9945 17761.8323 0.0000 0.0000 34261.9103 -149257.3871 299.2178 -183519.2974 -149165.4660 299.7132 18.7351 55.2666 557179.9230 -8.8347 -8.5487 PRESSURE: 1122600 60.4518 -26.7605 -52.9098 -26.7611 -60.4275 5.64016 -52.9106 5.64057 185.37 GPRESSURE: 1122600 79.1762 14.0343 -4.13979 -89.6713 -39.4929 11.2897 -55.2846 -15.1255 234.809 PRESSAVG: 1122600 6.94181 2.29792 -19.2876 2.29788 -37.6736 -1.09616 -19.2875 -1.09611 19.2593 GPRESSAVG: 1122600 8.58093 1.45638 -17.9092 5.06279 -38.2962 0.896486 -18.9908 -2.79963 18.4027 TIMING: 1122600 CPU: 3253.18, 0.00286223/step Wall: 3253.18, 0.00286223/step, 3.08278 hours remaining, 206.773438 MB of memory in use. ENERGY: 1122600 759.9614 2110.3454 1934.3469 107.1546 -206048.7703 17769.1203 0.0000 0.0000 34146.8546 -149220.9871 298.2130 -183367.8417 -149130.6702 299.0676 61.7981 91.4976 556521.8674 -3.8242 -3.7708 PRESSURE: 1122800 -16.4231 52.6632 137.511 52.6628 -94.91 99.982 137.51 99.9835 -143.929 GPRESSURE: 1122800 26.5976 47.6741 44.3191 -33.2311 -78.2689 78.6486 159.672 145.776 -106.104 PRESSAVG: 1122800 -8.93787 -39.9286 -61.7528 -39.9286 29.7012 -15.8692 -61.7528 -15.8691 -22.4714 GPRESSAVG: 1122800 -10.1541 -39.3592 -63.2262 -42.9715 30.9492 -17.9028 -61.2247 -14.5301 -22.579 TIMING: 1122800 CPU: 3253.75, 0.00286279/step Wall: 3253.75, 0.00286279/step, 3.08322 hours remaining, 206.773438 MB of memory in use. ENERGY: 1122800 742.7595 2143.0778 1943.1975 115.3346 -205913.0490 17705.2587 0.0000 0.0000 34057.6937 -149205.7273 297.4343 -183263.4210 -149106.9291 299.3079 -85.0874 -52.5918 557373.2293 -0.5694 -0.5946 PRESSURE: 1123000 185.35 4.31407 60.3749 4.31432 -109.265 -122.16 60.3758 -122.159 -37.4262 GPRESSURE: 1123000 218.119 -10.3258 -91.2879 29.8026 -91.124 -129.921 150.48 -143.873 8.32417 PRESSAVG: 1123000 3.82182 -24.163 8.01946 -24.163 32.773 41.8518 8.01951 41.8517 -41.236 GPRESSAVG: 1123000 4.46346 -24.7727 6.93541 -24.7553 32.2156 42.4496 6.6908 41.668 -41.4351 TIMING: 1123000 CPU: 3254.33, 0.00287536/step Wall: 3254.33, 0.00287536/step, 3.0966 hours remaining, 206.773438 MB of memory in use. ENERGY: 1123000 747.8539 2094.1869 1962.6799 114.9019 -206300.8727 17922.1774 0.0000 0.0000 34235.6306 -149223.4420 298.9883 -183459.0726 -149133.2767 299.3686 12.8863 45.1064 558111.3284 -1.5470 -1.5853 PRESSURE: 1123200 164.516 104.048 -9.14197 104.049 47.5583 -140.178 -9.14264 -140.179 70.8634 GPRESSURE: 1123200 230.176 98.9462 -51.6579 169.605 76.9447 -167.822 -3.03832 1.46278 71.7984 PRESSAVG: 1123200 16.6811 -34.4084 -6.81913 -34.4083 27.182 -2.07823 -6.81913 -2.07811 21.0539 GPRESSAVG: 1123200 17.2629 -34.3193 -4.89489 -33.9026 25.1187 -3.41703 -8.58519 -0.412513 22.3972 TIMING: 1123200 CPU: 3254.9, 0.00286296/step Wall: 3254.9, 0.00286296/step, 3.08309 hours remaining, 206.773438 MB of memory in use. ENERGY: 1123200 720.6205 2144.4104 1950.3667 109.9257 -206213.2524 17900.3170 0.0000 0.0000 34083.5117 -149304.1003 297.6598 -183387.6120 -149215.5043 299.8070 94.3126 126.3064 556159.3262 21.6390 21.5929 PRESSURE: 1123400 -479.544 39.7916 66.3256 39.791 -248.04 23.2879 66.3251 23.2875 -64.8461 GPRESSURE: 1123400 -435.996 45.2301 34.6602 34.2631 -235.191 75.1566 115.934 125.871 -5.62015 PRESSAVG: 1123400 -25.9896 89.992 -16.0335 89.9919 16.2296 27.7571 -16.0334 27.7571 11.6286 GPRESSAVG: 1123400 -26.2973 90.546 -15.1954 88.4751 16.889 27.4529 -15.6594 26.4626 10.8384 TIMING: 1123400 CPU: 3255.48, 0.00287298/step Wall: 3255.48, 0.00287298/step, 3.09372 hours remaining, 206.773438 MB of memory in use. ENERGY: 1123400 775.6601 2100.9123 1900.5860 101.6843 -206242.0622 17613.2172 0.0000 0.0000 34244.5852 -149505.4171 299.0665 -183750.0023 -149411.1793 298.7767 -264.1436 -225.6022 558145.5622 0.6229 0.4767 PRESSURE: 1123600 -123.668 56.0248 -28.128 56.0242 -195.381 108.53 -28.1291 108.53 137.639 GPRESSURE: 1123600 -76.0145 118.252 -92.6125 83.4524 -162.257 81.9105 1.45328 169.949 162.246 PRESSAVG: 1123600 5.03613 58.9682 -11.1217 58.9682 25.3221 9.59553 -11.1218 9.59547 28.5366 GPRESSAVG: 1123600 4.18164 58.8424 -13.538 61.306 26.5342 10.6869 -10.7239 8.96976 28.7359 TIMING: 1123600 CPU: 3256.05, 0.00286175/step Wall: 3256.05, 0.00286175/step, 3.08147 hours remaining, 206.773438 MB of memory in use. ENERGY: 1123600 755.5586 2078.5181 1918.4574 117.9297 -206330.7673 17799.7532 0.0000 0.0000 34238.1332 -149422.4172 299.0101 -183660.5503 -149322.7289 298.6623 -60.4700 -25.3417 559100.1296 19.6316 19.8173 PRESSURE: 1123800 47.2157 -45.774 36.703 -45.7743 -214.702 55.0493 36.7027 55.0498 -20.1265 GPRESSURE: 1123800 66.5504 -9.5741 146.372 -106.093 -209.372 85.283 10.1755 66.1504 43.0211 PRESSAVG: 1123800 -11.1288 0.831913 -39.846 0.831868 -0.718664 32.6716 -39.8459 32.6716 19.3613 GPRESSAVG: 1123800 -10.6315 2.54113 -39.3543 -0.808246 -1.95611 33.1081 -39.52 32.3679 19.3433 TIMING: 1123800 CPU: 3256.62, 0.00287493/step Wall: 3256.62, 0.00287493/step, 3.09551 hours remaining, 206.773438 MB of memory in use. ENERGY: 1123800 765.9030 2118.1870 1958.1023 93.9588 -206155.1996 17836.4991 0.0000 0.0000 34107.0793 -149275.4699 297.8656 -183382.5493 -149177.2188 299.0437 -62.5377 -33.2667 558147.4690 2.5046 2.2519 PRESSURE: 1124000 -92.5576 97.8009 -81.0115 97.8016 298.356 -112.862 -81.0127 -112.862 -94.9724 GPRESSURE: 1124000 -48.9331 106.29 -158.738 8.83166 281.459 -75.0291 -51.7968 -82.8117 -26.5549 PRESSAVG: 1124000 12.2829 18.7054 -53.3328 18.7054 -23.8263 -20.4774 -53.3329 -20.4774 17.4778 GPRESSAVG: 1124000 11.9982 16.7004 -53.5774 19.531 -23.0417 -21.1953 -53.6704 -20.0799 16.7478 TIMING: 1124000 CPU: 3257.19, 0.00285434/step Wall: 3257.19, 0.00285434/step, 3.07317 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1124000 742.1307 2089.2310 1933.2165 112.3731 -206238.3507 17841.3901 0.0000 0.0000 34297.8574 -149222.1520 299.5317 -183520.0094 -149125.8466 299.3761 36.9419 68.6570 556990.1185 1.9781 1.9015 PRESSURE: 1124200 23.3619 3.78253 -96.3055 3.78335 169.08 27.6796 -96.3046 27.6798 -250.703 GPRESSURE: 1124200 -21.8404 -31.7411 -148.167 39.7405 230.492 35.3945 -58.3215 43.1616 -168.81 PRESSAVG: 1124200 -65.211 -20.5091 -36.7857 -20.5092 84.8868 6.48043 -36.7857 6.48043 -12.1851 GPRESSAVG: 1124200 -66.29 -19.5376 -35.8779 -21.7881 84.0968 6.98252 -34.4582 5.22312 -11.0074 TIMING: 1124200 CPU: 3257.77, 0.00288788/step Wall: 3257.77, 0.00288788/step, 3.10913 hours remaining, 206.773438 MB of memory in use. ENERGY: 1124200 741.8691 2072.3385 1955.2803 108.1086 -206020.3815 17661.0382 0.0000 0.0000 34399.7899 -149081.9569 300.4219 -183481.7468 -148986.1178 299.3741 -19.4203 13.2804 557778.1963 2.4969 2.2665 LDB: ============= START OF LOAD BALANCING ============== 3261.16 LDB: ============== END OF LOAD BALANCING =============== 3261.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3261.16 LDB: ============= START OF LOAD BALANCING ============== 3261.45 LDB: Largest compute 4822 load 0.022098 is 18.7% of average load 0.118047 LDB: Average compute 0.001703 is 1.4% of average load 0.118047 LDB: TIME 3261.45 LOAD: AVG 0.118047 MAX 0.18371 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 3261.45 LOAD: AVG 0.118047 MAX 0.18371 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 3261.45 LOAD: AVG 0.118047 MAX 0.18371 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: ============== END OF LOAD BALANCING =============== 3261.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3261.46 PRESSURE: 1124400 -343.385 49.8177 -25.4444 49.8171 -228.025 -75.6411 -25.4439 -75.642 -100.993 GPRESSURE: 1124400 -250.966 46.9466 -57.1469 50.8936 -231.435 -66.8614 16.0343 -47.9972 -96.8651 PRESSAVG: 1124400 -27.2571 -18.4218 -13.6225 -18.4218 30.4984 -22.9252 -13.6224 -22.9253 -1.2127 GPRESSAVG: 1124400 -27.7585 -18.3103 -12.9159 -17.8192 31.5949 -23.0161 -15.9753 -22.0852 -1.46645 TIMING: 1124400 CPU: 3258.36, 0.00296443/step Wall: 3258.36, 0.00296443/step, 3.19137 hours remaining, 206.449219 MB of memory in use. ENERGY: 1124400 789.0167 2123.4378 1938.2805 123.1926 -205790.4529 17625.2756 0.0000 0.0000 34370.6447 -148820.6050 300.1674 -183191.2497 -148723.2643 299.6001 -224.1343 -193.0888 559000.3499 0.6762 0.7900 PRESSURE: 1124600 -368.479 -148.115 126.79 -148.115 -283.295 -36.0109 126.79 -36.0113 114.691 GPRESSURE: 1124600 -334.087 -78.0824 150.022 -171.843 -235.493 -6.16834 91.0322 -16.2608 114.304 PRESSAVG: 1124600 -56.1512 -28.4616 -42.8759 -28.4616 -21.5414 -5.56645 -42.876 -5.56638 19.5471 GPRESSAVG: 1124600 -56.115 -29.0129 -43.3725 -26.6223 -22.1006 -3.64388 -43.8172 -5.86227 19.7083 TIMING: 1124600 CPU: 3258.94, 0.00287791/step Wall: 3258.94, 0.00287791/step, 3.09807 hours remaining, 206.449219 MB of memory in use. ENERGY: 1124600 771.7503 2057.0775 1938.3124 118.6610 -205273.4248 17329.3392 0.0000 0.0000 34335.7715 -148722.5130 299.8628 -183058.2845 -148625.3887 300.6700 -179.0272 -151.7587 559652.7927 -19.3818 -19.5024 PRESSURE: 1124800 -28.4782 25.4602 74.9177 25.4601 -218.157 8.35479 74.918 8.35682 360.151 GPRESSURE: 1124800 -31.2524 -14.3329 68.2762 68.1389 -128.818 -60.735 145.352 -57.0359 377.043 PRESSAVG: 1124800 -19.7041 -38.535 17.2852 -38.535 -42.2108 -24.9273 17.2852 -24.9273 46.8742 GPRESSAVG: 1124800 -19.5215 -37.5045 16.5167 -40.3139 -43.4512 -27.6348 19.2434 -25.8204 47.8336 TIMING: 1124800 CPU: 3259.52, 0.0028893/step Wall: 3259.52, 0.0028893/step, 3.11017 hours remaining, 206.449219 MB of memory in use. ENERGY: 1124800 729.4672 2128.4443 1956.4171 118.0980 -205751.2494 17719.1511 0.0000 0.0000 34319.6537 -148780.0180 299.7221 -183099.6717 -148681.9882 300.1990 37.8386 72.3242 558591.0443 -5.0136 -5.0464 PRESSURE: 1125000 6.10308 -91.9744 55.2123 -91.9742 136.003 11.9986 55.2124 11.9989 92.275 GPRESSURE: 1125000 91.284 -1.52752 -24.9465 -86.6023 122.793 -68.592 22.5404 63.5575 121.495 PRESSAVG: 1125000 -13.728 9.51085 -26.2186 9.51086 14.9081 -54.1514 -26.2186 -54.1513 8.74111 GPRESSAVG: 1125000 -13.8677 9.50706 -26.3701 8.87978 15.4762 -52.111 -28.4816 -54.7819 8.0423 TIMING: 1125000 CPU: 3260.09, 0.00287648/step Wall: 3260.09, 0.00287647/step, 3.09621 hours remaining, 206.515625 MB of memory in use. ENERGY: 1125000 757.9958 2100.2252 1920.0913 116.3957 -206145.4210 18032.6096 0.0000 0.0000 34378.5780 -148839.5254 300.2367 -183218.1034 -148736.2571 300.4761 78.1272 111.8573 557979.6950 3.3071 3.2169 PRESSURE: 1125200 -189.142 232.446 -36.8049 232.446 -135.102 57.9051 -36.8049 57.9042 16.7892 GPRESSURE: 1125200 -177.621 261.634 8.61998 161.503 -132.555 57.2052 -65.9136 59.7706 101.032 PRESSAVG: 1125200 -75.4003 2.73695 -54.5321 2.73705 25.7429 -77.1199 -54.532 -77.12 74.2736 GPRESSAVG: 1125200 -75.3832 1.99418 -54.7796 1.64186 25.2146 -79.1476 -52.0671 -76.2872 74.6809 TIMING: 1125200 CPU: 3260.67, 0.00289097/step Wall: 3260.67, 0.00289097/step, 3.11164 hours remaining, 206.515625 MB of memory in use. ENERGY: 1125200 748.4720 2099.3641 1960.1832 131.9255 -205908.2500 17730.2158 0.0000 0.0000 34366.8933 -148871.1961 300.1346 -183238.0894 -148772.5288 300.0379 -102.4849 -69.7145 558941.2975 8.2054 8.1708 PRESSURE: 1125400 -99.3966 -80.744 19.0422 -80.7426 -37.9732 -206.671 19.0429 -206.672 -92.1872 GPRESSURE: 1125400 -87.2125 -142.358 86.445 -130.876 26.2141 -130.651 50.7026 -259.951 -91.7043 PRESSAVG: 1125400 -32.1108 24.6089 -73.8551 24.609 -20.2218 -69.9264 -73.855 -69.9264 15.4025 GPRESSAVG: 1125400 -31.9236 25.0915 -74.1375 26.3886 -19.235 -69.2513 -74.9966 -66.9606 14.1494 TIMING: 1125400 CPU: 3261.25, 0.00287613/step Wall: 3261.25, 0.00287613/step, 3.09551 hours remaining, 206.515625 MB of memory in use. ENERGY: 1125400 756.6633 2159.7063 1934.0002 119.9096 -205738.9280 17730.7103 0.0000 0.0000 34229.1276 -148808.8107 298.9315 -183037.9384 -148713.2214 300.3175 -76.5190 -50.9009 560421.1361 -12.3101 -12.3364 PRESSURE: 1125600 -300.745 11.4904 -160.073 11.4904 -208.422 -72.1411 -160.073 -72.142 -164.159 GPRESSURE: 1125600 -280.697 -9.51153 -156.434 55.5253 -178.71 -83.1519 -41.4085 -114.678 -132.438 PRESSAVG: 1125600 1.52029 22.8193 12.6694 22.8193 80.7414 -24.5622 12.6694 -24.5621 -59.4426 GPRESSAVG: 1125600 2.38218 21.1842 13.6763 22.5969 80.3637 -24.3362 11.7343 -26.9591 -60.1452 TIMING: 1125600 CPU: 3261.83, 0.0029065/step Wall: 3261.83, 0.0029065/step, 3.12804 hours remaining, 206.515625 MB of memory in use. ENERGY: 1125600 782.6609 2082.3192 1935.4435 126.4315 -205762.1616 17586.7392 0.0000 0.0000 34300.6994 -148947.8680 299.5565 -183248.5674 -148855.6069 300.4512 -224.4418 -197.2817 559970.4826 7.6064 7.5336 PRESSURE: 1125800 -127.585 -42.5215 -223.507 -42.5207 13.5888 -170.703 -223.507 -170.703 23.467 GPRESSURE: 1125800 -121.379 -15.2039 -209.147 -69.6031 75.5719 -173.658 -251.894 -181.097 42.5964 PRESSAVG: 1125800 -14.739 -20.3595 -66.369 -20.3594 27.5186 -40.1652 -66.369 -40.1652 -17.9523 GPRESSAVG: 1125800 -14.5021 -18.024 -67.326 -20.4602 28.0713 -39.4277 -65.3003 -41.1158 -18.4598 TIMING: 1125800 CPU: 3262.41, 0.00291621/step Wall: 3262.41, 0.00291621/step, 3.13833 hours remaining, 206.515625 MB of memory in use. ENERGY: 1125800 776.2421 2033.9364 1937.6968 106.0966 -205990.0397 17848.7715 0.0000 0.0000 34370.6465 -148916.6499 300.1674 -183287.2963 -148821.4862 299.4262 -30.1765 -1.0703 558951.6887 -1.7242 -1.6302 PRESSURE: 1126000 -115.953 -4.5701 -45.8328 -4.56978 -203.726 -90.5703 -45.8327 -90.5704 -34.0527 GPRESSURE: 1126000 -93.0236 5.5497 -9.60324 32.5168 -178.716 -96.1638 -96.3103 -115.243 20.078 PRESSAVG: 1126000 19.4134 37.1833 -31.343 37.1834 -4.77576 -42.1322 -31.3431 -42.1322 -11.8601 GPRESSAVG: 1126000 19.899 35.5315 -29.4913 38.1577 -5.78767 -41.7127 -32.8286 -40.3404 -10.976 TIMING: 1126000 CPU: 3262.99, 0.00290791/step Wall: 3262.99, 0.00290791/step, 3.12923 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1126000 716.9809 2095.4314 1915.3676 116.0474 -205832.3801 17591.3981 0.0000 0.0000 34519.2452 -148877.9096 301.4652 -183397.1548 -148775.7340 300.0021 -117.9107 -83.8871 558237.2696 0.9259 1.0451 PRESSURE: 1126200 -199.914 48.5375 93.0183 48.5383 102.256 49.9858 93.0167 49.9873 139.11 GPRESSURE: 1126200 -185.172 58.1299 133.172 57.4545 161.109 -33.0369 84.1039 81.3477 165.044 PRESSAVG: 1126200 -76.7383 -8.68909 -28.2336 -8.6891 74.3446 34.4143 -28.2336 34.4143 -5.32204 GPRESSAVG: 1126200 -78.2331 -7.53385 -28.3348 -9.00903 75.2516 32.5906 -25.9328 34.5097 -4.29562 TIMING: 1126200 CPU: 3263.57, 0.00289089/step Wall: 3263.57, 0.00289089/step, 3.11076 hours remaining, 206.515625 MB of memory in use. ENERGY: 1126200 766.9329 2081.4768 1915.2096 105.6369 -206097.1898 17798.7097 0.0000 0.0000 34481.1708 -148948.0531 301.1326 -183429.2239 -148852.9751 300.0894 13.8172 46.9939 557067.8338 -2.5719 -2.4257 PRESSURE: 1126400 -119.102 87.7469 155.033 87.7491 -150.839 -22.9242 155.032 -22.9229 14.2264 GPRESSURE: 1126400 -87.5174 123.364 68.8738 94.4983 -123.284 -58.6605 185.62 33.2469 52.5187 PRESSAVG: 1126400 -30.7351 -24.9626 -6.82061 -24.9625 42.4251 21.7639 -6.82058 21.7639 -18.4072 GPRESSAVG: 1126400 -30.4572 -26.3364 -8.29531 -25.9382 40.8615 21.756 -6.91733 19.9428 -17.631 TIMING: 1126400 CPU: 3264.15, 0.0028986/step Wall: 3264.15, 0.0028986/step, 3.11889 hours remaining, 206.515625 MB of memory in use. ENERGY: 1126400 751.4991 2062.9223 1935.8588 106.1838 -205979.5432 17772.1023 0.0000 0.0000 34370.4485 -148980.5283 300.1657 -183350.9769 -148886.4509 300.0752 -85.2381 -52.7608 558817.9216 -2.2391 -2.4089 PRESSURE: 1126600 -106.985 145.848 -217.142 145.849 -182.671 63.7292 -217.142 63.7298 98.7013 GPRESSURE: 1126600 -86.5236 208.646 -309.079 88.3457 -119.444 74.0124 -174.299 42.4627 105.904 PRESSAVG: 1126600 11.352 3.86359 -13.8379 3.86358 74.1858 24.7293 -13.8379 24.7292 -76.0938 GPRESSAVG: 1126600 11.5349 3.76025 -13.3898 4.26493 75.2659 25.9944 -16.1683 24.4831 -77.2036 TIMING: 1126600 CPU: 3264.73, 0.00287956/step Wall: 3264.73, 0.00287956/step, 3.09825 hours remaining, 206.515625 MB of memory in use. ENERGY: 1126600 789.7985 2114.8302 1913.3019 111.7405 -205725.4432 17760.0549 0.0000 0.0000 34155.1625 -148880.5546 298.2855 -183035.7171 -148786.9549 300.0074 -63.6517 -33.3546 559753.1448 3.1480 3.1991 PRESSURE: 1126800 -20.4961 83.6046 144.242 83.605 66.3544 -32.6182 144.242 -32.6188 -55.9988 GPRESSURE: 1126800 2.00132 138.485 36.6157 25.9038 130.658 54.8583 130.259 -14.4388 -36.2111 PRESSAVG: 1126800 46.6975 1.55932 -7.52193 1.5593 42.123 -11.8776 -7.52192 -11.8778 -43.2332 GPRESSAVG: 1126800 47.0486 2.13004 -7.71518 1.28135 42.6003 -13.6501 -7.56379 -11.3495 -44.6909 TIMING: 1126800 CPU: 3265.3, 0.00288613/step Wall: 3265.3, 0.00288613/step, 3.10515 hours remaining, 206.515625 MB of memory in use. ENERGY: 1126800 755.1540 2070.6223 1948.7100 106.3193 -205837.3832 17728.7642 0.0000 0.0000 34367.4165 -148860.3971 300.1392 -183227.8136 -148764.5644 299.9121 -3.3802 32.1495 558508.1342 15.1958 14.9860 PRESSURE: 1127000 -52.5969 44.603 45.4925 44.6024 -81.4968 92.8331 45.4922 92.8337 -12.4798 GPRESSURE: 1127000 -24.9444 -0.346818 67.9863 70.2632 -21.1098 47.8113 65.603 74.6419 -15.1526 PRESSAVG: 1127000 19.9832 -53.3855 -11.4118 -53.3855 -23.217 2.01474 -11.4118 2.01464 -7.81981 GPRESSAVG: 1127000 19.1212 -53.1892 -10.7555 -50.5949 -23.2545 1.34992 -11.045 1.97581 -8.07336 TIMING: 1127000 CPU: 3265.88, 0.00289606/step Wall: 3265.88, 0.00289606/step, 3.11568 hours remaining, 206.515625 MB of memory in use. ENERGY: 1127000 740.1149 2147.5084 1962.5066 112.6090 -205839.0591 17626.8433 0.0000 0.0000 34460.5934 -148788.8836 300.9529 -183249.4770 -148702.5012 300.7072 -48.8578 -20.4022 557627.7725 -3.6845 -4.0689 PRESSURE: 1127200 -12.3844 36.5059 -281.274 36.5048 5.03967 75.2482 -281.275 75.2496 -119.94 GPRESSURE: 1127200 44.8528 -58.2366 -262.934 112.456 71.8969 69.5884 -221.765 120.803 -141.857 PRESSAVG: 1127200 15.2165 10.7619 49.5967 10.7619 21.6617 -19.6475 49.5966 -19.6475 -8.13448 GPRESSAVG: 1127200 14.0972 9.55483 48.7528 8.86045 21.4121 -18.6184 50.4325 -19.0398 -6.65606 TIMING: 1127200 CPU: 3266.46, 0.00289868/step Wall: 3266.46, 0.00289868/step, 3.11833 hours remaining, 206.515625 MB of memory in use. ENERGY: 1127200 771.8719 2056.7352 1942.7005 125.1333 -205982.6589 17874.2295 0.0000 0.0000 34291.0388 -148920.9496 299.4722 -183211.9884 -148825.4204 300.3453 -42.4283 -8.3689 559393.7776 9.5812 9.6177 PRESSURE: 1127400 160.055 -115.679 -111.225 -115.679 186.455 -74.3365 -111.225 -74.3366 -120.444 GPRESSURE: 1127400 194.473 -160.714 -119.498 -84.0868 178.277 14.9793 -141.896 -36.3903 -45.7893 PRESSAVG: 1127400 3.77565 -8.84517 12.9685 -8.84524 -55.8522 -12.1264 12.9685 -12.1264 2.55127 GPRESSAVG: 1127400 5.5116 -7.23097 12.3343 -9.24547 -55.9139 -9.46718 11.6093 -13.495 1.24099 TIMING: 1127400 CPU: 3267.04, 0.00289795/step Wall: 3267.04, 0.00289795/step, 3.11739 hours remaining, 206.515625 MB of memory in use. ENERGY: 1127400 725.1912 2123.0875 1957.1640 108.0031 -206169.1221 18086.0300 0.0000 0.0000 34170.9980 -148998.6484 298.4238 -183169.6464 -148902.1067 299.4891 75.3553 108.9869 561330.3825 -16.5084 -16.3871 PRESSURE: 1127600 -1.46439 -63.8666 17.8523 -63.8668 -80.7143 90.1152 17.8523 90.1154 -112.484 GPRESSURE: 1127600 41.8526 -156.884 98.3097 -74.3765 -68.3232 62.3221 6.50446 75.9838 -58.282 PRESSAVG: 1127600 -42.4638 27.4841 56.5471 27.484 3.75633 24.369 56.5471 24.3691 27.0706 GPRESSAVG: 1127600 -42.8514 26.7059 56.2543 28.7473 3.1036 23.2369 57.6576 23.6957 28.7666 TIMING: 1127600 CPU: 3267.62, 0.00291233/step Wall: 3267.62, 0.00291232/step, 3.13269 hours remaining, 206.515625 MB of memory in use. ENERGY: 1127600 747.4650 2088.5223 1947.9959 103.5573 -206137.6018 17803.1075 0.0000 0.0000 34502.2423 -148944.7116 301.3167 -183446.9538 -148840.8890 299.7845 -64.8875 -28.2509 559379.1946 -3.8790 -3.6604 PRESSURE: 1127800 19.6615 -117.427 -57.6778 -117.427 235.161 46.2693 -57.6783 46.2695 266.58 GPRESSURE: 1127800 69.8263 -136.599 -126.056 -99.8596 270.597 99.6971 -39.4207 6.32469 275.99 PRESSAVG: 1127800 33.161 11.698 44.8486 11.6981 27.412 102.702 44.8486 102.702 -38.8773 GPRESSAVG: 1127800 33.2697 11.9079 44.4055 9.61105 28.1002 101.659 45.823 103.515 -39.1741 TIMING: 1127800 CPU: 3268.21, 0.00291165/step Wall: 3268.21, 0.00291165/step, 3.1318 hours remaining, 206.515625 MB of memory in use. ENERGY: 1127800 704.7879 2092.9213 1924.6116 108.0735 -206224.8303 18114.5906 0.0000 0.0000 34358.0029 -148921.8424 300.0570 -183279.8454 -148827.8113 299.7959 173.8010 205.4712 559273.4494 7.2319 7.3986 PRESSURE: 1128000 -136.277 -30.9167 -42.421 -30.9168 -185.066 -72.8529 -42.4199 -72.8511 149.372 GPRESSURE: 1128000 -162.008 -126.773 -72.3358 115.897 -115.223 -73.0633 20.502 -48.5576 199.421 PRESSAVG: 1128000 -21.6495 50.4502 21.268 50.4502 -29.1012 11.4387 21.268 11.4387 76.142 GPRESSAVG: 1128000 -21.8475 51.5877 22.5391 50.0962 -28.9013 11.8974 18.3676 12.4347 75.4879 TIMING: 1128000 CPU: 3268.79, 0.00291805/step Wall: 3268.79, 0.00291805/step, 3.13852 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1128000 705.0046 2082.5780 1932.2106 112.6979 -205881.7389 17688.9158 0.0000 0.0000 34524.0757 -148836.2564 301.5073 -183360.3321 -148743.4736 299.8906 -57.3237 -25.9364 558417.4967 8.4638 8.2464 PRESSURE: 1128200 -134.265 -28.7846 -125.229 -28.7831 -147.453 137.037 -125.229 137.037 -188.58 GPRESSURE: 1128200 -40.4864 61.3106 -149.644 -29.4622 -130.847 140.579 -124.707 104.998 -200.675 PRESSAVG: 1128200 -19.8452 14.243 6.95313 14.243 -59.464 30.7767 6.95328 30.7767 62.5551 GPRESSAVG: 1128200 -19.4258 13.8013 7.05535 14.5947 -59.8936 27.582 6.96692 33.0162 62.1106 TIMING: 1128200 CPU: 3269.37, 0.00288943/step Wall: 3269.37, 0.00288943/step, 3.10759 hours remaining, 206.515625 MB of memory in use. ENERGY: 1128200 740.9041 2092.7690 1981.9018 105.6166 -205746.9023 17696.9962 0.0000 0.0000 34467.1447 -148661.5699 301.0101 -183128.7146 -148562.6238 300.0202 -156.7662 -124.0030 559760.8210 -5.5847 -5.7363 LDB: ============= START OF LOAD BALANCING ============== 3272.75 LDB: ============== END OF LOAD BALANCING =============== 3272.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3272.76 LDB: ============= START OF LOAD BALANCING ============== 3273.04 LDB: Largest compute 4820 load 0.023074 is 19.6% of average load 0.118006 LDB: Average compute 0.001711 is 1.5% of average load 0.118006 LDB: TIME 3273.05 LOAD: AVG 0.118006 MAX 0.182644 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 3273.05 LOAD: AVG 0.118006 MAX 0.182644 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 3273.05 LOAD: AVG 0.118006 MAX 0.182644 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 3273.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3273.05 PRESSURE: 1128400 -210.758 -127.725 143.8 -127.726 -38.2609 120.001 143.801 120.001 123.556 GPRESSURE: 1128400 -168.739 -133.887 186.845 -144.158 29.8433 106.728 93.959 138.917 117.371 PRESSAVG: 1128400 -43.6548 40.9699 10.2495 40.9701 36.0406 -6.28145 10.2495 -6.28148 25.8158 GPRESSAVG: 1128400 -44.0266 41.375 8.09931 39.7053 36.8393 -3.21404 13.1483 -8.42879 25.5672 TIMING: 1128400 CPU: 3269.96, 0.00294627/step Wall: 3269.96, 0.00294627/step, 3.16855 hours remaining, 206.062500 MB of memory in use. ENERGY: 1128400 725.3835 2068.7757 1939.2327 107.8996 -205724.9414 17713.0910 0.0000 0.0000 34162.3258 -149008.2331 298.3481 -183170.5589 -148911.1812 301.0521 -41.8212 -7.1747 559722.6345 6.0672 6.1266 PRESSURE: 1128600 90.8831 -46.9164 -81.0872 -46.9163 -193.083 11.0425 -81.0873 11.0421 8.65733 GPRESSURE: 1128600 180.344 11.8141 -129.264 -43.2366 -197.783 -13.1935 -99.7865 6.84027 14.88 PRESSAVG: 1128600 -43.988 12.8729 32.5722 12.8728 50.2752 -22.7359 32.5722 -22.736 -8.84385 GPRESSAVG: 1128600 -43.3376 15.7057 32.515 13.2309 48.9947 -22.7709 30.4708 -21.4834 -8.2709 TIMING: 1128600 CPU: 3270.54, 0.0028931/step Wall: 3270.54, 0.0028931/step, 3.11121 hours remaining, 206.062500 MB of memory in use. ENERGY: 1128600 706.5856 2088.0603 1971.6937 110.7595 -205843.9575 17791.0618 0.0000 0.0000 34149.5343 -149026.2624 298.2364 -183175.7967 -148934.5396 299.1865 -31.1810 -0.8530 559967.7290 -0.8522 -0.8713 PRESSURE: 1128800 -48.1058 43.3014 44.4973 43.3014 -3.50271 -121.204 44.4984 -121.206 -27.8031 GPRESSURE: 1128800 -44.7324 35.7253 22.6519 28.9861 41.8706 -86.8153 166.571 -109.201 18.4429 PRESSAVG: 1128800 34.3256 66.2353 12.0705 66.2352 -11.0741 -28.6579 12.0706 -28.6578 -35.0317 GPRESSAVG: 1128800 33.857 63.5662 13.2408 67.5215 -10.6898 -28.5835 11.7458 -29.3906 -34.5168 TIMING: 1128800 CPU: 3271.11, 0.00287949/step Wall: 3271.11, 0.00287949/step, 3.09641 hours remaining, 206.062500 MB of memory in use. ENERGY: 1128800 713.4679 2073.3061 1946.2145 118.7751 -205801.7771 17852.7004 0.0000 0.0000 34007.1990 -149090.1141 296.9933 -183097.3131 -148990.8524 299.8564 -26.4705 5.1937 558646.2123 -3.9267 -3.7832 PRESSURE: 1129000 -13.4976 99.1856 -39.8919 99.1851 -105.578 8.02586 -39.8923 8.02589 9.29569 GPRESSURE: 1129000 -30.9736 65.3823 -38.5528 138.795 -21.1245 -30.1242 41.7617 -50.8894 49.0486 PRESSAVG: 1129000 -33.7841 -34.6722 17.7625 -34.6721 28.8046 -25.1003 17.7626 -25.1003 13.4797 GPRESSAVG: 1129000 -34.6766 -36.1235 17.1499 -34.1009 29.7405 -25.9486 18.3182 -25.4864 13.3064 TIMING: 1129000 CPU: 3271.69, 0.00287633/step Wall: 3271.69, 0.00287633/step, 3.09285 hours remaining, 206.062500 MB of memory in use. ENERGY: 1129000 787.1402 2104.8077 1926.6344 106.9232 -206044.9551 17654.9473 0.0000 0.0000 34263.4443 -149201.0581 299.2312 -183464.5024 -149102.5692 299.5958 -36.5931 -1.0165 558372.8612 2.8334 2.7901 PRESSURE: 1129200 298.234 21.7053 -106.763 21.7066 96.134 -67.3399 -106.765 -67.3413 142.194 GPRESSURE: 1129200 337.471 -0.849604 -29.8096 3.80692 144.511 6.37571 -146.338 -35.339 164.667 PRESSAVG: 1129200 -52.4501 49.9813 -17.9539 49.9813 -2.62013 -11.4713 -17.9539 -11.4713 30.3922 GPRESSAVG: 1129200 -50.937 51.4769 -15.4537 50.9319 -2.50872 -9.47809 -18.8433 -13.154 28.6435 TIMING: 1129200 CPU: 3272.26, 0.00288123/step Wall: 3272.26, 0.00288123/step, 3.09796 hours remaining, 206.062500 MB of memory in use. ENERGY: 1129200 767.9404 2134.6137 1910.0839 118.4200 -206818.4486 18216.7397 0.0000 0.0000 34309.8455 -149360.8055 299.6364 -183670.6510 -149270.0504 298.9859 178.8542 215.5499 556786.6261 -8.2260 -8.2674 PRESSURE: 1129400 -319.946 189.915 -181.415 189.915 213.2 124.445 -181.415 124.444 68.5996 GPRESSURE: 1129400 -227.721 135.004 -191.214 181.34 190.278 11.031 -143.614 144.41 97.1986 PRESSAVG: 1129400 14.5106 48.4142 -20.2289 48.4142 8.58229 -19.6739 -20.229 -19.6739 -14.7423 GPRESSAVG: 1129400 14.5034 46.5221 -21.7386 49.4553 8.83099 -20.5953 -21.2484 -17.5301 -14.6086 TIMING: 1129400 CPU: 3272.84, 0.00288646/step Wall: 3272.84, 0.00288646/step, 3.10342 hours remaining, 206.062500 MB of memory in use. ENERGY: 1129400 762.3934 2203.6830 1932.1202 104.8836 -206442.5581 17866.2275 0.0000 0.0000 34314.2038 -149259.0467 299.6745 -183573.2505 -149160.8113 299.1689 -12.7154 19.9187 556857.2392 2.7835 2.9086 PRESSURE: 1129600 -81.6236 -97.7097 31.7285 -97.7092 9.7153 62.1648 31.7271 62.1645 -110.834 GPRESSURE: 1129600 -39.3885 14.4428 117.703 -96.6369 80.7114 30.4095 -39.3766 124.987 -122.664 PRESSAVG: 1129600 45.3008 -30.4644 1.07181 -30.4645 -39.14 -17.5682 1.0718 -17.5682 -18.5816 GPRESSAVG: 1129600 44.4617 -28.0771 -0.0770243 -33.1419 -39.422 -17.5023 1.98171 -18.6986 -17.42 TIMING: 1129600 CPU: 3273.42, 0.00291071/step Wall: 3273.42, 0.00291071/step, 3.12934 hours remaining, 206.062500 MB of memory in use. ENERGY: 1129600 729.7531 2129.7988 1926.1955 108.6652 -205954.0314 17620.5331 0.0000 0.0000 34158.3096 -149280.7760 298.3130 -183439.0856 -149179.1543 299.2162 -60.9141 -27.1138 557750.7471 -4.1403 -4.1268 PRESSURE: 1129800 -14.2866 143.943 139.903 143.943 101.705 -45.8715 139.903 -45.873 -89.4466 GPRESSURE: 1129800 10.4923 225.796 51.5681 97.201 162.727 -72.8368 200.309 13.3341 -77.6396 PRESSAVG: 1129800 -32.6374 3.80797 22.8454 3.80788 51.8351 27.4346 22.8454 27.4345 -31.1534 GPRESSAVG: 1129800 -32.8205 3.36579 22.3002 0.745266 52.1663 29.5964 24.3814 27.3304 -31.0366 TIMING: 1129800 CPU: 3274, 0.00288181/step Wall: 3274, 0.00288181/step, 3.0981 hours remaining, 206.062500 MB of memory in use. ENERGY: 1129800 769.2355 2091.3033 1960.0322 113.0564 -206373.0767 17933.8331 0.0000 0.0000 34329.6256 -149175.9907 299.8092 -183505.6162 -149091.6780 299.2754 -0.6762 31.8600 557918.6926 -3.9852 -3.8969 PRESSURE: 1130000 -176.46 -42.1934 67.6085 -42.1917 -185.98 -187.581 67.6082 -187.581 -72.5809 GPRESSURE: 1130000 -121.969 -47.1669 86.1926 -68.4595 -166.184 -258.311 23.1293 -222.004 -53.4244 PRESSAVG: 1130000 25.2645 25.109 98.9084 25.1089 40.6971 -58.6686 98.9083 -58.6685 -29.6108 GPRESSAVG: 1130000 26.4427 21.8477 99.8489 28.1753 39.4924 -58.727 99.3059 -58.0983 -29.5303 TIMING: 1130000 CPU: 3274.58, 0.00289775/step Wall: 3274.58, 0.00289775/step, 3.11508 hours remaining, 206.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1130000 792.4181 2092.4250 1931.9899 118.5080 -206184.0280 17751.8249 0.0000 0.0000 34234.4112 -149262.4508 298.9776 -183496.8620 -149167.3871 299.4915 -145.0072 -113.8592 558761.2675 12.1169 12.1349 PRESSURE: 1130200 -177.083 251.417 -75.8649 251.417 -272.439 -19.552 -75.8658 -19.5525 -205.039 GPRESSURE: 1130200 -133.781 103.567 -95.1316 337.254 -246.098 -73.2704 -1.0541 26.1063 -188.415 PRESSAVG: 1130200 -41.4739 4.98747 24.2043 4.98747 8.94153 46.6519 24.2041 46.6521 12.5598 GPRESSAVG: 1130200 -41.7102 7.75309 24.2062 5.12037 9.73116 45.5963 21.0272 46.73 12.3921 TIMING: 1130200 CPU: 3275.15, 0.00287092/step Wall: 3275.15, 0.00287092/step, 3.08608 hours remaining, 206.062500 MB of memory in use. ENERGY: 1130200 732.3887 2108.1948 1931.4248 114.5183 -205978.9169 17596.3507 0.0000 0.0000 34166.7813 -149329.2582 298.3870 -183496.0395 -149227.5080 299.0667 -218.1871 -189.4314 558555.0881 -6.6575 -6.5290 PRESSURE: 1130400 -62.1743 -7.55321 26.8107 -7.55205 -216.994 -10.9412 26.8104 -10.9412 -364.85 GPRESSURE: 1130400 -73.9006 -16.974 52.8675 30.7318 -189.416 -18.231 -3.56104 -46.8181 -284.707 PRESSAVG: 1130400 4.92835 55.6046 23.6023 55.6047 8.57762 -14.1588 23.6022 -14.1589 -6.66675 GPRESSAVG: 1130400 5.65959 56.3946 23.4654 54.7302 7.96815 -15.6556 25.7015 -14.1422 -6.48475 TIMING: 1130400 CPU: 3275.73, 0.00288684/step Wall: 3275.73, 0.00288684/step, 3.10303 hours remaining, 206.062500 MB of memory in use. ENERGY: 1130400 765.8120 2110.9804 1938.9576 120.7833 -205750.9900 17520.8840 0.0000 0.0000 33956.7612 -149336.8115 296.5528 -183293.5727 -149244.7095 298.8622 -214.6728 -182.6744 559350.5742 2.2797 2.3810 PRESSURE: 1130600 75.3506 12.624 -37.5632 12.6237 -181.189 -28.9776 -37.5613 -28.9755 0.474394 GPRESSURE: 1130600 113.98 28.7618 -2.08789 55.9772 -98.7576 -78.2073 -3.45689 26.5386 -5.30523 PRESSAVG: 1130600 12.6425 67.0998 65.144 67.0998 -37.4569 63.6812 65.144 63.6811 3.04065 GPRESSAVG: 1130600 12.8675 64.7014 66.2375 68.0014 -38.499 64.7744 65.1645 62.7196 4.20115 TIMING: 1130600 CPU: 3276.31, 0.00289141/step Wall: 3276.31, 0.00289141/step, 3.10779 hours remaining, 206.062500 MB of memory in use. ENERGY: 1130600 788.6846 2096.3764 1914.7633 107.4542 -205992.1582 17718.1101 0.0000 0.0000 33969.5794 -149397.1902 296.6648 -183366.7696 -149305.2803 298.3106 -35.1213 3.3057 558341.4495 -7.2579 -7.1434 PRESSURE: 1130800 -61.9214 -83.9569 -245.121 -83.9565 -323.066 -9.42827 -245.121 -9.4276 -97.4077 GPRESSURE: 1130800 -4.41734 -52.8705 -177.691 -74.3464 -300.78 -66.443 -283.348 -20.2411 -78.1673 PRESSAVG: 1130800 -21.7313 54.5473 51.9708 54.5474 6.89267 39.7639 51.9708 39.7638 -19.0848 GPRESSAVG: 1130800 -22.9068 55.8177 51.342 53.7013 8.10939 40.9319 52.4219 39.4922 -19.3138 TIMING: 1130800 CPU: 3276.89, 0.0028941/step Wall: 3276.89, 0.0028941/step, 3.11051 hours remaining, 206.062500 MB of memory in use. ENERGY: 1130800 727.4311 2137.7121 1943.2246 113.5931 -205890.2907 17518.7561 0.0000 0.0000 34045.1771 -149404.3967 297.3250 -183449.5738 -149302.4307 298.0940 -160.7984 -127.7881 558375.9297 -11.3078 -11.3704 PRESSURE: 1131000 -226.813 7.26438 -17.5877 7.26302 -216.834 41.0483 -17.5886 41.0486 -69.9994 GPRESSURE: 1131000 -225.43 -21.8501 -24.6252 38.2191 -165.988 15.0983 -78.4096 82.2048 -36.367 PRESSAVG: 1131000 14.305 14.7387 -18.8891 14.7387 -23.8298 9.9057 -18.889 9.90565 39.9502 GPRESSAVG: 1131000 14.1745 14.4301 -17.3606 15.6526 -24.2708 9.88065 -19.313 9.94444 40.5781 TIMING: 1131000 CPU: 3277.47, 0.00289227/step Wall: 3277.47, 0.00289227/step, 3.10839 hours remaining, 206.261719 MB of memory in use. ENERGY: 1131000 740.6232 2090.0289 1926.3234 130.5271 -206305.9666 17650.3129 0.0000 0.0000 34348.9822 -149419.1689 299.9782 -183768.1510 -149319.4698 298.9475 -171.2157 -142.5949 559575.7425 10.1418 10.1606 PRESSURE: 1131200 142.816 -37.6742 -17.754 -37.6732 -13.9206 75.1249 -17.7545 75.1234 -82.814 GPRESSURE: 1131200 179.083 -58.2502 -56.8719 -57.1717 18.0688 169.315 28.6895 45.583 -60.0937 PRESSAVG: 1131200 -37.0768 -37.2071 -41.214 -37.2071 0.465161 2.38582 -41.2141 2.38576 55.0681 GPRESSAVG: 1131200 -36.6898 -35.5361 -40.5918 -37.8025 0.908272 1.59676 -41.5316 3.51702 54.1463 TIMING: 1131200 CPU: 3278.04, 0.00288929/step Wall: 3278.04, 0.00288929/step, 3.10503 hours remaining, 206.261719 MB of memory in use. ENERGY: 1131200 754.2118 2143.9428 1918.3907 125.2842 -206524.2939 17999.4930 0.0000 0.0000 34385.0263 -149197.9450 300.2930 -183582.9714 -149104.6313 299.0467 15.3606 45.6860 558428.0994 6.1521 6.1216 PRESSURE: 1131400 -92.256 -143.238 82.9081 -143.24 -97.7476 50.891 82.908 50.8927 -63.202 GPRESSURE: 1131400 -44.781 -180.645 26.897 -113.479 -50.5505 7.41153 81.4061 66.7083 -54.316 PRESSAVG: 1131400 -8.12365 -22.0556 20.2556 -22.0555 -32.0763 -22.0366 20.2555 -22.0365 34.4171 GPRESSAVG: 1131400 -7.9279 -22.2864 19.5689 -22.2653 -32.833 -22.0668 20.2178 -23.7127 34.553 TIMING: 1131400 CPU: 3278.63, 0.00290657/step Wall: 3278.63, 0.00290657/step, 3.12343 hours remaining, 206.261719 MB of memory in use. ENERGY: 1131400 758.6251 2121.6339 1925.6503 106.7590 -206270.8960 17847.9653 0.0000 0.0000 34219.6431 -149290.6194 298.8487 -183510.2625 -149192.8855 299.3971 -84.4019 -49.8825 557992.6502 -1.9276 -2.0693 PRESSURE: 1131600 -218.582 76.3146 153.216 76.3134 -148.851 49.9956 153.217 49.9942 -182.099 GPRESSURE: 1131600 -184.58 113.427 144.138 84.1542 -117.879 -31.3134 160.245 86.799 -144.939 PRESSAVG: 1131600 -51.6075 -7.32823 60.4581 -7.3282 48.6403 -1.59889 60.4582 -1.59898 42.7277 GPRESSAVG: 1131600 -51.4258 -7.09365 59.8457 -9.63837 48.0813 -2.47409 61.1356 -0.75973 43.9393 TIMING: 1131600 CPU: 3279.2, 0.00289587/step Wall: 3279.2, 0.00289588/step, 3.11178 hours remaining, 206.261719 MB of memory in use. ENERGY: 1131600 761.2505 2159.1661 1939.5387 124.2994 -206244.6591 17624.4149 0.0000 0.0000 34315.6497 -149320.3398 299.6871 -183635.9894 -149225.8607 299.0313 -183.1775 -149.1327 557939.3238 13.2535 13.5316 PRESSURE: 1131800 133.77 3.02239 -63.3838 3.02296 111.71 115.729 -63.3844 115.73 -242.436 GPRESSURE: 1131800 155.835 -10.2208 -120.334 62.3327 166.987 185.357 -17.8648 89.3901 -236.285 PRESSAVG: 1131800 -2.61093 6.05016 27.9138 6.05022 16.0772 -44.3915 27.9138 -44.3915 -9.12613 GPRESSAVG: 1131800 -2.81507 4.32543 27.1702 8.37019 16.8129 -43.2713 28.4361 -46.1374 -9.71602 TIMING: 1131800 CPU: 3279.79, 0.00290337/step Wall: 3279.79, 0.00290337/step, 3.11967 hours remaining, 206.261719 MB of memory in use. ENERGY: 1131800 775.4581 2097.6356 1926.4990 117.7599 -206411.9504 17958.1226 0.0000 0.0000 34332.4622 -149204.0131 299.8339 -183536.4753 -149113.9265 299.3728 1.0146 28.8456 557693.6318 1.4467 1.4273 PRESSURE: 1132000 -15.9109 58.9822 101.096 58.9828 -39.6795 9.42861 101.097 9.42761 11.9739 GPRESSURE: 1132000 19.4563 76.9205 75.5546 25.8725 0.247657 27.0547 135.562 -47.4326 25.9172 PRESSAVG: 1132000 -19.3821 51.8767 14.7849 51.8767 -22.5668 -8.79391 14.7848 -8.7938 21.6964 GPRESSAVG: 1132000 -20.5683 54.2871 16.9438 51.0302 -22.3041 -8.21703 14.1977 -8.1242 22.4224 TIMING: 1132000 CPU: 3280.37, 0.00290639/step Wall: 3280.37, 0.00290639/step, 3.12276 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1132000 729.7216 2075.2883 1943.9000 103.9942 -206144.0404 17775.0236 0.0000 0.0000 34164.8538 -149351.2590 298.3702 -183516.1127 -149253.1318 299.3360 -14.5389 15.2071 555866.9959 -6.7509 -6.8167 PRESSURE: 1132200 -140.32 -37.4505 -64.4193 -37.4504 -256.948 120.11 -64.4188 120.112 -328.042 GPRESSURE: 1132200 -105.344 41.4891 -61.9438 -5.11336 -251.419 152.318 21.0021 116.731 -269.283 PRESSAVG: 1132200 -4.96022 -21.5152 65.7132 -21.5154 25.3146 5.27119 65.7131 5.27129 -1.0777 GPRESSAVG: 1132200 -4.00709 -22.7272 63.1574 -21.1916 24.1851 5.36699 66.946 4.73246 -1.14405 TIMING: 1132200 CPU: 3280.95, 0.00289805/step Wall: 3280.95, 0.00289805/step, 3.11363 hours remaining, 206.261719 MB of memory in use. ENERGY: 1132200 764.3927 2114.4431 1927.9116 115.3008 -205893.5442 17547.6545 0.0000 0.0000 34098.8336 -149325.0079 297.7936 -183423.8415 -149226.2894 298.7718 -241.7701 -208.6820 556184.4364 6.4256 6.3446 LDB: ============= START OF LOAD BALANCING ============== 3284.33 LDB: ============== END OF LOAD BALANCING =============== 3284.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3284.33 LDB: ============= START OF LOAD BALANCING ============== 3284.62 LDB: Largest compute 4792 load 0.023158 is 19.6% of average load 0.118037 LDB: Average compute 0.001700 is 1.4% of average load 0.118037 LDB: TIME 3284.62 LOAD: AVG 0.118037 MAX 0.183494 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 3284.62 LOAD: AVG 0.118037 MAX 0.183494 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: TIME 3284.62 LOAD: AVG 0.118037 MAX 0.183494 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: ============== END OF LOAD BALANCING =============== 3284.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3284.63 PRESSURE: 1132400 289.617 -8.71708 51.8537 -8.71709 192.817 124.299 51.8546 124.298 242.527 GPRESSURE: 1132400 290.733 75.794 99.9148 -43.2442 241.829 130.132 58.8302 120.931 288.63 PRESSAVG: 1132400 -1.00317 43.677 5.8277 43.677 34.701 36.5869 5.82775 36.5869 12.5754 GPRESSAVG: 1132400 -2.01565 43.0493 6.97297 44.1691 34.7562 34.5867 6.04066 38.9156 13.6997 TIMING: 1132400 CPU: 3281.54, 0.00294551/step Wall: 3281.54, 0.00294551/step, 3.16446 hours remaining, 206.773438 MB of memory in use. ENERGY: 1132400 747.6311 2077.2926 1926.9187 109.4952 -206689.1679 18360.7229 0.0000 0.0000 34153.4277 -149313.6796 298.2704 -183467.1074 -149220.0466 298.2401 241.6539 273.7305 556836.3801 15.4244 15.4801 PRESSURE: 1132600 194.226 245.663 13.0256 245.663 261.591 47.3869 13.0254 47.3858 -27.2337 GPRESSURE: 1132600 264.436 349.786 -92.6069 159.212 258.01 -25.3686 83.3114 92.8024 -3.98452 PRESSAVG: 1132600 10.8247 31.5547 -54.6255 31.5545 45.471 66.1533 -54.6255 66.1535 -6.44649 GPRESSAVG: 1132600 11.0482 32.3768 -54.866 30.3783 44.8138 69.7627 -56.1383 64.2905 -6.49739 TIMING: 1132600 CPU: 3282.12, 0.00291201/step Wall: 3282.12, 0.00291201/step, 3.12831 hours remaining, 206.976562 MB of memory in use. ENERGY: 1132600 774.2414 2112.5053 1908.9460 107.1802 -206783.1269 18070.4927 0.0000 0.0000 34366.0849 -149443.6763 300.1276 -183809.7612 -149354.7794 298.7110 142.8611 172.8204 554426.4864 16.6164 16.4549 PRESSURE: 1132800 11.4637 -82.3445 18.7847 -82.3435 4.20087 -12.1723 18.7846 -12.1726 112.162 GPRESSURE: 1132800 28.3689 -34.0141 35.9693 -43.6109 23.6854 -68.5914 -9.87008 -33.2834 179.747 PRESSAVG: 1132800 9.52902 18.5913 -4.75783 18.5914 10.4453 10.6447 -4.75791 10.6446 -35.4581 GPRESSAVG: 1132800 10.5179 18.5467 -3.29281 19.4436 10.2223 9.51557 -3.85104 10.7867 -36.8699 TIMING: 1132800 CPU: 3282.7, 0.00291106/step Wall: 3282.7, 0.00291106/step, 3.12713 hours remaining, 206.976562 MB of memory in use. ENERGY: 1132800 754.1487 2078.4386 1948.2615 116.3816 -206487.6528 18003.1352 0.0000 0.0000 34341.6202 -149245.6670 299.9139 -183587.2872 -149153.2855 299.8115 42.6089 77.2670 557351.9415 -5.1612 -5.3766 PRESSURE: 1133000 -60.3475 -84.441 -1.03234 -84.4412 -54.0655 112.827 -1.03163 112.827 135.085 GPRESSURE: 1133000 -54.5144 -83.2193 -17.1442 -195.107 6.57868 102.934 37.6 105.797 161.009 PRESSAVG: 1133000 -39.5633 -14.4681 45.1901 -14.4682 -9.70929 23.1124 45.1901 23.1125 -20.5017 GPRESSAVG: 1133000 -41.3279 -15.7594 44.5006 -14.5233 -8.74752 23.3731 45.918 22.264 -19.7312 TIMING: 1133000 CPU: 3283.28, 0.00290401/step Wall: 3283.28, 0.00290401/step, 3.11939 hours remaining, 206.976562 MB of memory in use. ENERGY: 1133000 823.1470 2095.5984 1961.8626 122.0184 -206233.6984 17860.9218 0.0000 0.0000 34350.5760 -149019.5742 299.9921 -183370.1502 -148921.3854 299.6435 6.8906 37.6910 556373.9740 -23.2581 -23.2689 PRESSURE: 1133200 -105.175 -29.1249 -73.7933 -29.1253 142.875 -202.146 -73.7931 -202.146 219.373 GPRESSURE: 1133200 -84.9605 10.5351 -7.37089 -42.9963 187.563 -125.915 -105.242 -130.751 235.458 PRESSAVG: 1133200 -48.2131 -19.5863 -17.7763 -19.5862 28.2596 -45.6602 -17.7763 -45.6601 -6.12045 GPRESSAVG: 1133200 -47.9844 -18.0373 -18.9433 -20.1619 28.2955 -46.0334 -16.8047 -42.4846 -7.20105 TIMING: 1133200 CPU: 3283.86, 0.00290637/step Wall: 3283.86, 0.00290637/step, 3.12177 hours remaining, 206.976562 MB of memory in use. ENERGY: 1133200 754.9479 2042.1481 1923.0438 113.5486 -205960.9647 17769.5302 0.0000 0.0000 34281.6926 -149076.0535 299.3905 -183357.7461 -148979.2332 299.7151 85.6911 112.6867 555392.6457 -8.6913 -8.9633 PRESSURE: 1133400 53.3629 -62.6296 181.151 -62.6288 112.618 -83.2115 181.151 -83.2105 -1.68954 GPRESSURE: 1133400 119.56 -87.2913 223.129 -74.8896 125.098 -21.1264 177.565 -133.438 7.60269 PRESSAVG: 1133400 -22.1746 31.5563 33.2181 31.5564 48.9927 -54.2102 33.218 -54.2101 -37.8464 GPRESSAVG: 1133400 -22.1801 31.8401 34.0422 30.9088 49.2253 -55.4239 31.3416 -53.8432 -37.616 TIMING: 1133400 CPU: 3284.45, 0.00291828/step Wall: 3284.45, 0.00291828/step, 3.1344 hours remaining, 206.976562 MB of memory in use. ENERGY: 1133400 725.9566 2130.9371 1948.3879 120.3957 -206021.9631 17807.7442 0.0000 0.0000 34201.7954 -149086.7462 298.6928 -183288.5416 -148991.3143 299.6548 54.7639 84.0869 557291.1204 -3.6761 -3.5236 PRESSURE: 1133600 328.477 -93.6097 -73.3072 -93.6091 -76.8426 135.143 -73.3067 135.144 -114.291 GPRESSURE: 1133600 361.465 1.72281 -131.124 -35.9215 -22.9622 58.384 -30.1019 133.702 -96.6649 PRESSAVG: 1133600 36.6681 -19.703 18.5257 -19.703 37.5109 -43.5049 18.5257 -43.5048 -20.9366 GPRESSAVG: 1133600 36.8245 -19.7132 16.8732 -18.4414 36.1109 -43.4651 20.5742 -45.7189 -20.7612 TIMING: 1133600 CPU: 3285.03, 0.00290486/step Wall: 3285.03, 0.00290486/step, 3.11982 hours remaining, 206.976562 MB of memory in use. ENERGY: 1133600 783.5708 2144.8281 1907.7538 110.7748 -206065.6221 17841.5759 0.0000 0.0000 34183.7968 -149093.3219 298.5356 -183277.1187 -149006.2695 299.2836 45.7810 80.6128 558123.6766 17.7474 17.3914 PRESSURE: 1133800 126.049 -42.1126 -39.5514 -42.1113 -21.5573 -20.0314 -39.5524 -20.0308 -71.1461 GPRESSURE: 1133800 92.1005 -148.547 -57.6919 1.84312 -7.1114 -18.7035 -8.35033 -12.8114 41.0781 PRESSAVG: 1133800 -40.7763 13.4651 2.60354 13.4651 26.0253 28.3392 2.60345 28.3392 33.6208 GPRESSAVG: 1133800 -42.1617 11.716 3.30047 14.5391 26.3436 26.5375 0.953438 30.0915 34.4964 TIMING: 1133800 CPU: 3285.61, 0.00290297/step Wall: 3285.61, 0.00290297/step, 3.11762 hours remaining, 206.976562 MB of memory in use. ENERGY: 1133800 737.2742 2121.2776 1931.1247 113.0865 -206059.2676 17869.2548 0.0000 0.0000 34051.3444 -149235.9054 297.3789 -183287.2498 -149135.5266 299.7323 11.1151 42.0224 557727.1276 6.2900 6.2261 PRESSURE: 1134000 -186.755 10.6892 -67.4968 10.6901 -180.938 26.7072 -67.4973 26.7086 -322.109 GPRESSURE: 1134000 -146.316 -6.88961 -148.482 48.4524 -148.534 20.1263 19.0941 67.3028 -302.214 PRESSAVG: 1134000 58.1532 21.4258 -28.7531 21.4258 29.9242 -59.9411 -28.753 -59.9411 -27.0984 GPRESSAVG: 1134000 59.0035 21.386 -29.6089 19.4916 29.7188 -58.9449 -27.1362 -60.176 -28.0406 TIMING: 1134000 CPU: 3286.19, 0.00289689/step Wall: 3286.19, 0.00289689/step, 3.11094 hours remaining, 206.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1134000 743.4143 2098.0574 1949.4947 112.6392 -205846.3549 17534.2878 0.0000 0.0000 34163.4163 -149245.0452 298.3576 -183408.4615 -149153.5788 299.1712 -229.9338 -199.0213 557228.1925 20.3263 20.2272 PRESSURE: 1134200 -109.726 10.8745 -117.914 10.8728 146.984 -61.4839 -117.913 -61.4823 -132.626 GPRESSURE: 1134200 -125.33 -61.0092 -87.6604 88.959 188.085 0.435072 -122.099 -69.0071 -63.1584 PRESSAVG: 1134200 81.4447 18.7727 12.9133 18.7727 -26.1186 23.3576 12.9133 23.3576 -34.9626 GPRESSAVG: 1134200 81.4033 19.0057 14.9767 21.262 -26.1853 25.6135 10.0911 21.9795 -35.2652 TIMING: 1134200 CPU: 3286.77, 0.00290279/step Wall: 3286.77, 0.00290279/step, 3.11712 hours remaining, 207.031250 MB of memory in use. ENERGY: 1134200 716.7930 2099.2782 1933.0566 109.8673 -206351.2333 17756.6456 0.0000 0.0000 34446.0216 -149289.5710 300.8257 -183735.5926 -149193.2555 299.0470 -31.7892 -0.1344 556593.7531 6.7878 6.6509 PRESSURE: 1134400 -89.7538 56.0972 -89.659 56.0973 -206.475 0.599137 -89.6593 0.597549 88.4681 GPRESSURE: 1134400 -60.7705 -6.54196 -39.6847 32.2696 -205.559 61.2258 -104.7 -57.8175 165.916 PRESSAVG: 1134400 28.4828 32.1359 5.12089 32.1359 -3.04938 -26.2147 5.12092 -26.2148 -85.621 GPRESSAVG: 1134400 28.8372 33.0891 5.80931 28.6933 -2.99457 -28.4261 6.08787 -24.3977 -85.4767 TIMING: 1134400 CPU: 3287.35, 0.00289757/step Wall: 3287.35, 0.00289757/step, 3.11135 hours remaining, 207.031250 MB of memory in use. ENERGY: 1134400 718.2945 2104.9022 1892.6000 101.8675 -206017.1685 17618.1796 0.0000 0.0000 34217.4557 -149363.8690 298.8296 -183581.3248 -149271.1942 299.2015 -69.2535 -33.4711 557699.2352 -20.0625 -19.8780 PRESSURE: 1134600 -123.06 -26.5754 -26.312 -26.5759 66.3939 89.0512 -26.312 89.0507 -23.7348 GPRESSURE: 1134600 -66.6807 -18.3104 -29.8929 44.7087 102.554 64.04 9.6174 87.5337 -3.22537 PRESSAVG: 1134600 93.8049 39.809 28.2784 39.809 -32.0886 -4.23987 28.2783 -4.23983 6.69271 GPRESSAVG: 1134600 93.5853 38.8066 25.3811 41.2276 -31.1805 -3.45879 28.3634 -4.27271 6.33034 TIMING: 1134600 CPU: 3287.93, 0.0028974/step Wall: 3287.93, 0.0028974/step, 3.111 hours remaining, 207.031250 MB of memory in use. ENERGY: 1134600 689.2456 2121.4304 1940.8784 117.6218 -206455.3416 17810.7682 0.0000 0.0000 34440.4441 -149334.9531 300.7770 -183775.3972 -149235.2843 298.9280 -26.8002 10.8825 556562.8934 22.8030 22.9117 PRESSURE: 1134800 1.48807 -72.3882 -115.214 -72.3892 -44.8441 25.1995 -115.213 25.2 286.47 GPRESSURE: 1134800 19.0069 -50.8252 -167.704 -106.289 4.69265 52.5445 -66.3358 19.4605 322.415 PRESSAVG: 1134800 24.0436 -51.8558 -0.486837 -51.8559 -9.99552 -36.7353 -0.486816 -36.7352 -22.0369 GPRESSAVG: 1134800 23.5572 -52.1759 0.619771 -52.0793 -9.92448 -35.8904 -0.938693 -37.4565 -22.1448 TIMING: 1134800 CPU: 3288.5, 0.00288622/step Wall: 3288.5, 0.00288622/step, 3.09884 hours remaining, 207.031250 MB of memory in use. ENERGY: 1134800 770.0119 2152.0827 1926.0970 120.6450 -206619.4049 17923.4435 0.0000 0.0000 34306.4843 -149420.6405 299.6071 -183727.1248 -149325.2190 299.4714 81.0380 115.3715 555735.6078 -2.6629 -2.8374 PRESSURE: 1135000 -202.379 -21.7964 83.087 -21.7972 -128.448 -160.419 83.0869 -160.419 105.378 GPRESSURE: 1135000 -172.653 16.396 112.069 -85.058 -75.0528 -158.435 -3.28808 -119.738 130.273 PRESSAVG: 1135000 13.3383 -31.7823 27.9017 -31.7822 20.1803 -18.1714 27.9017 -18.1714 -37.288 GPRESSAVG: 1135000 13.4323 -31.4173 26.6776 -30.3794 19.694 -18.4042 28.5402 -17.0972 -36.3142 TIMING: 1135000 CPU: 3289.09, 0.00291463/step Wall: 3289.09, 0.00291463/step, 3.12918 hours remaining, 207.031250 MB of memory in use. ENERGY: 1135000 788.4151 2155.1222 1948.8894 120.4139 -206472.5166 17896.1922 0.0000 0.0000 34143.5854 -149419.8983 298.1844 -183563.4837 -149319.1743 298.6213 -75.1498 -39.1443 558151.6361 -1.2565 -1.0626 PRESSURE: 1135200 42.7156 -114.73 -83.712 -114.73 -105.32 -126.14 -83.7111 -126.142 -244.701 GPRESSURE: 1135200 96.1031 -119.186 -24.8534 -80.0048 -84.4403 -117.32 -85.5377 -135.727 -230.964 PRESSAVG: 1135200 36.8361 60.8877 15.1319 60.8876 42.1949 4.40665 15.132 4.40659 -75.5165 GPRESSAVG: 1135200 37.0246 60.5678 16.8996 60.546 41.4822 5.61191 15.173 2.84794 -74.9904 TIMING: 1135200 CPU: 3289.67, 0.00290267/step Wall: 3289.67, 0.00290267/step, 3.11617 hours remaining, 207.031250 MB of memory in use. ENERGY: 1135200 756.0132 2087.9680 1932.2519 121.1418 -206393.1078 17728.2718 0.0000 0.0000 34191.5664 -149575.8947 298.6035 -183767.4611 -149472.8864 298.8519 -102.4351 -73.1002 557413.6004 1.1715 1.1721 PRESSURE: 1135400 -232.592 73.729 -31.6281 73.7294 -112.302 -131.605 -31.6287 -131.606 168.158 GPRESSURE: 1135400 -193.533 50.1821 -28.5759 140.217 -16.8794 -194.728 -27.8343 -149.038 127.86 PRESSAVG: 1135400 45.7713 14.0079 19.8798 14.0079 -38.7967 -43.7419 19.8798 -43.7418 14.7969 GPRESSAVG: 1135400 45.0737 14.2415 18.8924 14.5689 -37.2614 -43.6785 20.9089 -44.3033 14.4992 TIMING: 1135400 CPU: 3290.25, 0.00290167/step Wall: 3290.25, 0.00290167/step, 3.11494 hours remaining, 207.031250 MB of memory in use. ENERGY: 1135400 747.7941 2059.9538 1954.2864 112.8076 -206535.2096 17855.1408 0.0000 0.0000 34350.1257 -149455.1012 299.9882 -183805.2268 -149354.8143 298.5996 -58.9122 -27.5175 557484.5558 7.2572 7.4371 PRESSURE: 1135600 -4.56339 -29.902 76.2853 -29.903 -164.958 -69.2521 76.2859 -69.253 -98.7636 GPRESSURE: 1135600 -44.3167 4.49174 52.8319 -13.0835 -92.9439 -46.8839 54.0852 -32.5371 -39.7556 PRESSAVG: 1135600 -1.05574 25.553 35.2629 25.553 -28.3638 -9.14351 35.2629 -9.14341 34.3865 GPRESSAVG: 1135600 -1.48873 27.8346 36.1846 24.931 -27.8369 -10.5013 33.7028 -5.94582 34.825 TIMING: 1135600 CPU: 3290.83, 0.00292393/step Wall: 3290.83, 0.00292393/step, 3.13868 hours remaining, 207.031250 MB of memory in use. ENERGY: 1135600 757.8977 2142.1403 1940.4144 100.0392 -206127.5024 17718.4239 0.0000 0.0000 34176.0884 -149292.4987 298.4683 -183468.5870 -149200.2426 299.8982 -89.4283 -59.0054 556990.3530 1.6557 1.8331 PRESSURE: 1135800 234.966 -188.322 -88.5755 -188.321 -278.173 -102.923 -88.5764 -102.923 125.749 GPRESSURE: 1135800 264.582 -149.283 -57.0451 -117.588 -239.543 -142.022 -87.299 -101.08 139.034 PRESSAVG: 1135800 -38.827 -3.87394 38.4813 -3.87397 66.5045 -22.1868 38.4813 -22.1868 -1.22114 GPRESSAVG: 1135800 -38.02 -6.2287 38.6584 -2.19834 66.1358 -23.0335 40.0603 -23.2874 -2.20198 TIMING: 1135800 CPU: 3291.41, 0.00290305/step Wall: 3291.41, 0.00290305/step, 3.1161 hours remaining, 207.031250 MB of memory in use. ENERGY: 1135800 720.7086 2105.0618 1940.8343 114.7147 -206373.4469 17919.5557 0.0000 0.0000 34409.1592 -149163.4125 300.5037 -183572.5717 -149065.1677 299.2828 27.5139 54.6909 558453.1055 8.8188 8.6379 PRESSURE: 1136000 -43.4609 -64.3713 19.7264 -64.3719 -38.6258 42.2039 19.7262 42.2019 -274.301 GPRESSURE: 1136000 16.2962 -0.197479 5.02553 -109.267 -42.5216 23.1168 49.7952 -37.1359 -234.551 PRESSAVG: 1136000 5.97485 -30.0821 22.9413 -30.0821 23.9285 -23.65 22.9413 -23.6498 -18.4802 GPRESSAVG: 1136000 6.66161 -28.135 21.273 -31.426 23.8293 -25.2644 23.0917 -22.6869 -18.6047 TIMING: 1136000 CPU: 3292, 0.00292528/step Wall: 3292, 0.00292528/step, 3.1398 hours remaining, 207.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1136000 740.5070 2048.4997 1926.6759 112.8551 -205908.1515 17785.2024 0.0000 0.0000 34336.4346 -148957.9768 299.8686 -183294.4114 -148866.7831 299.7863 -118.7960 -86.9254 560513.6866 3.8077 3.9621 PRESSURE: 1136200 -186.48 -3.76301 -91.2243 -3.76336 -20.6274 -172.551 -91.2245 -172.552 1.56951 GPRESSURE: 1136200 -183.974 66.6533 -73.811 5.08533 22.4332 -70.767 -76.0788 -180.552 55.5138 PRESSAVG: 1136200 -36.0081 20.9947 -70.3363 20.9946 30.7853 4.18839 -70.3363 4.18846 1.38218 GPRESSAVG: 1136200 -35.2771 21.5468 -67.1948 21.1051 29.6697 8.77954 -72.8834 0.578464 2.28589 TIMING: 1136200 CPU: 3292.58, 0.00291373/step Wall: 3292.58, 0.00291373/step, 3.12724 hours remaining, 207.031250 MB of memory in use. ENERGY: 1136200 751.0407 2064.9437 1955.4014 125.6031 -205811.6145 17641.0965 0.0000 0.0000 34254.9868 -149018.5423 299.1573 -183273.5291 -148922.7892 299.6351 -68.5126 -35.3424 557996.3185 -1.2802 -1.1072 LDB: ============= START OF LOAD BALANCING ============== 3295.97 LDB: ============== END OF LOAD BALANCING =============== 3295.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3295.97 LDB: ============= START OF LOAD BALANCING ============== 3296.26 LDB: Largest compute 4820 load 0.023838 is 20.2% of average load 0.118011 LDB: Average compute 0.001705 is 1.4% of average load 0.118011 LDB: TIME 3296.26 LOAD: AVG 0.118011 MAX 0.182072 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.984 MB LDB: TIME 3296.26 LOAD: AVG 0.118011 MAX 0.182072 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.188 MB LDB: TIME 3296.26 LOAD: AVG 0.118011 MAX 0.182072 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.188 MB LDB: ============== END OF LOAD BALANCING =============== 3296.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3296.27 PRESSURE: 1136400 94.8009 -14.3052 1.32149 -14.3053 -102.325 -33.1167 1.32207 -33.1166 187.632 GPRESSURE: 1136400 54.1086 -73.3637 40.1979 51.801 -37.0793 -38.0646 -42.4489 -25.386 256.359 PRESSAVG: 1136400 -50.6587 13.9512 -9.82824 13.9513 -32.5419 -9.11795 -9.82826 -9.11809 72.9349 GPRESSAVG: 1136400 -52.6879 11.8649 -12.8157 15.1682 -30.5056 -7.94541 -9.14718 -10.3766 72.7854 TIMING: 1136400 CPU: 3293.17, 0.00294669/step Wall: 3293.17, 0.00294669/step, 3.16245 hours remaining, 207.722656 MB of memory in use. ENERGY: 1136400 734.7762 2057.9271 1927.3902 107.2573 -205825.8107 17765.8467 0.0000 0.0000 34193.5586 -149039.0546 298.6209 -183232.6132 -148945.3355 299.3881 60.0360 91.1296 557654.3525 -3.4219 -3.4693 PRESSURE: 1136600 -193.456 70.7457 -47.7799 70.7451 101.322 -28.0349 -47.7806 -28.0363 61.5276 GPRESSURE: 1136600 -124.239 113.534 -38.6009 91.929 132.736 40.0423 17.7747 -78.8517 53.8289 PRESSAVG: 1136600 -4.10312 -19.5108 26.3807 -19.5109 -71.3031 -5.36956 26.3807 -5.36958 72.8285 GPRESSAVG: 1136600 -3.78563 -17.8604 28.5555 -20.2956 -70.9029 -9.267 29.354 -2.97235 72.8819 TIMING: 1136600 CPU: 3293.75, 0.00288678/step Wall: 3293.75, 0.00288678/step, 3.09799 hours remaining, 208.183594 MB of memory in use. ENERGY: 1136600 742.7992 2080.7734 1971.4906 112.5034 -205799.1766 17759.3055 0.0000 0.0000 34097.4966 -149034.8079 297.7819 -183132.3045 -148937.2371 299.4297 -10.2020 20.7753 558906.3069 -0.8592 -0.6022 PRESSURE: 1136800 81.1034 132.048 89.1404 132.047 -76.2456 -99.0262 89.1403 -99.0254 122.46 GPRESSURE: 1136800 108.291 119.414 60.7128 67.1769 -35.4712 -82.3904 83.3134 -36.9839 153.502 PRESSAVG: 1136800 -23.7249 11.3116 -8.07235 11.3115 35.1453 67.6269 -8.07248 67.6269 44.132 GPRESSAVG: 1136800 -21.9033 9.41902 -7.41815 11.2478 33.5633 68.7488 -12.1168 67.0337 44.2095 TIMING: 1136800 CPU: 3294.32, 0.0028885/step Wall: 3294.32, 0.0028885/step, 3.09969 hours remaining, 208.183594 MB of memory in use. ENERGY: 1136800 727.7369 2057.1738 1947.3541 105.4961 -205513.8710 17581.4812 0.0000 0.0000 34058.4468 -149036.1821 297.4409 -183094.6288 -148930.3999 298.8696 42.4394 75.4407 558469.4836 18.5175 18.6232 PRESSURE: 1137000 160.498 53.0215 149.942 53.0205 -148.194 183.097 149.942 183.098 -253.937 GPRESSURE: 1137000 177.994 95.0198 32.8762 88.0168 -104.976 136.682 233.668 210.271 -219.789 PRESSAVG: 1137000 50.3042 -7.78209 -11.8915 -7.78216 -67.402 39.386 -11.8915 39.3859 -13.0983 GPRESSAVG: 1137000 48.6857 -6.96623 -14.3018 -6.63691 -66.4184 40.0597 -9.93316 39.231 -12.8849 TIMING: 1137000 CPU: 3294.9, 0.00287357/step Wall: 3294.9, 0.00287357/step, 3.0835 hours remaining, 208.183594 MB of memory in use. ENERGY: 1137000 776.1228 2148.5843 1925.2179 104.4113 -206029.4145 17778.7626 0.0000 0.0000 34154.8378 -149141.4778 298.2827 -183296.3157 -149046.6746 298.9453 -80.5443 -48.9237 558714.2909 -10.0653 -10.2059 PRESSURE: 1137200 31.9611 141.164 -48.4234 141.164 65.9058 53.989 -48.4231 53.9885 -84.7364 GPRESSURE: 1137200 57.3363 91.0578 -74.0943 66.277 71.5385 18.9362 -92.6272 56.04 -29.6094 PRESSAVG: 1137200 -5.42523 -16.0387 16.193 -16.0387 -15.3155 65.2129 16.193 65.2129 49.5707 GPRESSAVG: 1137200 -5.1275 -16.7381 15.7667 -18.034 -15.8146 61.8224 16.5453 67.5163 49.5541 TIMING: 1137200 CPU: 3295.47, 0.00286429/step Wall: 3295.47, 0.00286429/step, 3.07338 hours remaining, 208.183594 MB of memory in use. ENERGY: 1137200 744.4573 2107.0438 1895.5251 112.5492 -206268.8538 17873.9462 0.0000 0.0000 34260.0649 -149275.2673 299.2017 -183535.3322 -149168.5767 298.9781 4.3768 33.0885 557112.4158 9.6100 9.5373 PRESSURE: 1137400 20.4782 -161.516 136.233 -161.516 -173.772 -55.1595 136.232 -55.1586 -2.04805 GPRESSURE: 1137400 79.7397 -197.288 138.905 -77.954 -133.172 -11.9208 127.51 -94.2205 -0.555501 PRESSAVG: 1137400 14.1427 -28.9802 6.75502 -28.9802 -2.13387 14.2643 6.75499 14.2644 -7.37551 GPRESSAVG: 1137400 15.2683 -31.521 9.16831 -26.8024 -1.73543 16.5725 5.72141 13.2468 -8.40342 TIMING: 1137400 CPU: 3296.05, 0.00286824/step Wall: 3296.05, 0.00286824/step, 3.07747 hours remaining, 208.183594 MB of memory in use. ENERGY: 1137400 745.4880 2113.5241 1913.6808 101.8709 -206355.2852 17791.3202 0.0000 0.0000 34070.6140 -149618.7871 297.5471 -183689.4011 -149524.0190 298.6336 -51.7807 -17.9960 557215.2740 1.5444 1.7098 PRESSURE: 1137600 89.6925 22.9633 -102.306 22.9647 272.204 19.0248 -102.306 19.0252 145.702 GPRESSURE: 1137600 118.294 83.6444 -117.167 57.638 287.816 23.527 -106.276 16.328 210.417 PRESSAVG: 1137600 46.6328 9.78173 25.439 9.7819 -36.1528 32.0758 25.439 32.0757 19.9547 GPRESSAVG: 1137600 46.7242 10.5223 23.116 9.94631 -37.4898 31.3505 26.3106 31.9975 20.6526 TIMING: 1137600 CPU: 3296.62, 0.00287097/step Wall: 3296.62, 0.00287097/step, 3.08024 hours remaining, 208.183594 MB of memory in use. ENERGY: 1137600 682.7692 2003.3027 1936.3988 108.0931 -206436.6787 18010.6535 0.0000 0.0000 33950.9234 -149744.5379 296.5019 -183695.4614 -149652.2064 297.4776 169.1994 205.5087 556512.0828 10.1449 9.9623 PRESSURE: 1137800 -42.9427 65.0153 -40.6498 65.0162 -100.941 -143.768 -40.6486 -143.768 52.0897 GPRESSURE: 1137800 22.0671 121.007 -43.265 42.2981 -86.0199 -106.387 8.95242 -142.554 76.3692 PRESSAVG: 1137800 -1.77871 10.4647 34.9522 10.4647 -8.91374 -8.46806 34.9523 -8.46809 -0.727498 GPRESSAVG: 1137800 -2.92023 12.2738 37.1257 7.37448 -6.5341 -7.36906 34.7059 -8.01076 -1.70299 TIMING: 1137800 CPU: 3297.2, 0.00289004/step Wall: 3297.2, 0.00289004/step, 3.10053 hours remaining, 208.183594 MB of memory in use. ENERGY: 1137800 697.5463 2080.6933 1923.8144 122.6526 -206102.3227 17746.4742 0.0000 0.0000 33890.7235 -149640.4185 295.9761 -183531.1419 -149549.7421 297.3984 -30.5978 4.1388 556687.4666 -3.8066 -3.7191 PRESSURE: 1138000 6.39959 70.658 -51.3145 70.6567 -181.124 26.8778 -51.3132 26.8793 -5.6178 GPRESSURE: 1138000 28.5028 42.4939 -83.2639 77.8504 -135.461 39.3412 -11.8783 -13.5058 24.2656 PRESSAVG: 1138000 37.0228 -14.3959 -48.095 -14.3958 -9.60377 0.0831201 -48.0949 0.0832439 -12.7501 GPRESSAVG: 1138000 36.9508 -13.1889 -50.3514 -13.9168 -10.3326 0.367649 -49.1807 -1.67059 -12.3603 TIMING: 1138000 CPU: 3297.78, 0.00290327/step Wall: 3297.78, 0.00290327/step, 3.11456 hours remaining, 208.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1138000 694.1356 2108.4641 1957.2830 105.2312 -206428.9075 17686.9081 0.0000 0.0000 34170.1881 -149706.6973 298.4168 -183876.8854 -149610.4299 297.3314 -60.1142 -27.5640 557007.2798 4.8896 4.7526 PRESSURE: 1138200 -293.481 64.8778 90.7529 64.8768 -436.701 -16.9537 90.7528 -16.954 -143.941 GPRESSURE: 1138200 -191.502 28.6463 68.2866 79.3558 -462.048 -23.7499 76.2875 -43.9608 -137.197 PRESSAVG: 1138200 47.0368 5.56339 7.94106 5.56336 -13.3805 -18.3306 7.94107 -18.3307 -44.5501 GPRESSAVG: 1138200 47.4257 2.22146 10.5056 9.13404 -13.4721 -18.6471 8.62487 -17.9075 -45.2073 TIMING: 1138200 CPU: 3298.35, 0.00288098/step Wall: 3298.35, 0.00288098/step, 3.0905 hours remaining, 208.183594 MB of memory in use. ENERGY: 1138200 743.7941 2086.0330 1949.3862 120.7955 -206149.1604 17492.1410 0.0000 0.0000 34147.1908 -149609.8198 298.2159 -183757.0106 -149518.2728 298.1535 -291.3744 -263.5822 558145.3018 -3.6313 -3.7512 PRESSURE: 1138400 60.9624 -21.756 56.4982 -21.755 66.1256 44.3636 56.4975 44.3647 320.29 GPRESSURE: 1138400 88.3408 -13.9337 -6.58091 -74.4521 91.9443 48.5906 84.4827 129.262 355.024 PRESSAVG: 1138400 -43.6452 -32.4455 -2.64007 -32.4454 -16.7989 -37.2334 -2.64013 -37.2334 53.7852 GPRESSAVG: 1138400 -43.4124 -30.358 -4.63452 -35.6348 -17.6281 -38.0705 -3.4643 -35.4682 54.0048 TIMING: 1138400 CPU: 3298.93, 0.00288825/step Wall: 3298.93, 0.00288825/step, 3.09813 hours remaining, 208.183594 MB of memory in use. ENERGY: 1138400 741.6027 2145.0385 1910.8104 117.7770 -206901.4330 18231.3515 0.0000 0.0000 34233.6559 -149521.1969 298.9710 -183754.8528 -149435.1693 298.0582 149.1261 178.4364 556741.8802 -2.2196 -2.3452 PRESSURE: 1138600 179.338 -129.194 -184.74 -129.194 123.249 49.909 -184.741 49.9086 5.67282 GPRESSURE: 1138600 168.088 -176.732 -196.892 -121.284 194.171 61.5424 -201.369 45.9215 38.3948 PRESSAVG: 1138600 -36.0767 -58.8582 -10.2474 -58.8581 29.6267 11.2685 -10.2474 11.2685 33.2449 GPRESSAVG: 1138600 -37.9467 -57.7917 -8.98689 -57.7523 31.6828 11.8196 -10.0553 8.69263 33.4141 TIMING: 1138600 CPU: 3299.51, 0.00290483/step Wall: 3299.51, 0.00290483/step, 3.11575 hours remaining, 208.183594 MB of memory in use. ENERGY: 1138600 740.1461 2070.8500 1938.4688 117.3636 -206314.4327 17967.7864 0.0000 0.0000 34147.5308 -149332.2871 298.2189 -183479.8179 -149236.6070 298.2140 102.7533 133.5511 558176.7406 8.9316 9.0501 PRESSURE: 1138800 47.6723 4.37493 -45.7093 4.37362 133.361 -0.121988 -45.7098 -0.123623 -66.8552 GPRESSURE: 1138800 42.3468 95.5521 -73.9453 -69.3043 206.29 -23.955 121.211 6.48772 -42.8305 PRESSAVG: 1138800 -25.5976 26.211 -3.51655 26.211 87.5085 39.9886 -3.51657 39.9885 -6.64018 GPRESSAVG: 1138800 -24.2798 24.5555 -3.12858 25.3861 87.1445 40.0177 -3.32744 40.6169 -7.35424 TIMING: 1138800 CPU: 3300.09, 0.00290124/step Wall: 3300.09, 0.00290124/step, 3.11174 hours remaining, 208.183594 MB of memory in use. ENERGY: 1138800 758.2351 2057.7280 1922.2846 110.1875 -206399.6607 18038.9202 0.0000 0.0000 33999.7319 -149512.5735 296.9281 -183512.3054 -149424.8835 298.5607 38.0592 68.6022 557043.3010 18.4236 18.5035 PRESSURE: 1139000 -78.3763 23.4917 -4.38709 23.4928 11.3012 39.1378 -4.38736 39.137 186.187 GPRESSURE: 1139000 10.9587 29.9581 -0.903066 27.9613 -34.3496 55.8674 3.99152 70.9658 227.453 PRESSAVG: 1139000 -26.5909 47.9237 -17.0724 47.9237 16.5283 -21.1257 -17.0724 -21.1255 46.545 GPRESSAVG: 1139000 -25.3339 47.2366 -17.3789 48.1012 14.7569 -22.0487 -16.9265 -21.1558 46.9809 TIMING: 1139000 CPU: 3300.68, 0.00291638/step Wall: 3300.68, 0.00291638/step, 3.12782 hours remaining, 208.183594 MB of memory in use. ENERGY: 1139000 738.0771 2077.5499 1911.2055 106.7384 -206112.0710 17820.1847 0.0000 0.0000 33971.0209 -149487.2945 296.6774 -183458.3154 -149399.1582 298.1735 39.7041 68.0206 557824.1761 12.1608 12.1346 PRESSURE: 1139200 90.3026 -10.9852 29.3597 -10.9847 -128.052 173.593 29.3598 173.594 80.7719 GPRESSURE: 1139200 82.3458 -32.1806 26.7417 38.2875 -85.935 240.36 41.3627 103.648 140.564 PRESSAVG: 1139200 12.1663 21.5663 20.9143 21.5664 -12.393 17.4461 20.9142 17.446 -0.126447 GPRESSAVG: 1139200 10.1212 22.1084 19.7621 22.9961 -10.3846 17.733 22.1335 17.3793 0.493613 TIMING: 1139200 CPU: 3301.26, 0.00289065/step Wall: 3301.26, 0.00289065/step, 3.10006 hours remaining, 208.183594 MB of memory in use. ENERGY: 1139200 717.8167 2070.1493 1936.8603 117.3179 -206010.1042 17706.9694 0.0000 0.0000 34008.7000 -149452.2906 297.0064 -183460.9906 -149357.6077 297.7662 14.3408 45.6584 556645.4769 -0.1177 0.0768 PRESSURE: 1139400 156.402 -125.239 2.52072 -125.237 -30.2703 -180.576 2.51981 -180.576 218.872 GPRESSURE: 1139400 179.324 -131.855 7.1328 -128.725 -23.4133 -211.469 39.8973 -249.147 291.335 PRESSAVG: 1139400 34.4122 29.5151 13.6237 29.5152 -64.8915 3.71998 13.6237 3.71999 4.26933 GPRESSAVG: 1139400 35.5695 30.3715 15.2613 26.8362 -65.2131 4.96066 10.9724 1.585 4.2473 TIMING: 1139400 CPU: 3301.83, 0.00289331/step Wall: 3301.83, 0.00289331/step, 3.10276 hours remaining, 208.183594 MB of memory in use. ENERGY: 1139400 741.8307 2105.6950 1959.0435 117.1068 -206831.4754 18172.9412 0.0000 0.0000 34311.8808 -149422.9775 299.6542 -183734.8583 -149321.7696 298.8759 115.0012 149.0821 556145.7069 -8.7367 -8.4654 PRESSURE: 1139600 -128.873 -156.825 -40.9919 -156.826 -143.58 -181.262 -40.9927 -181.264 -19.7839 GPRESSURE: 1139600 -99.262 -143.372 66.6052 -130.634 -121.114 -72.6748 -149.31 -160.457 24.9857 PRESSAVG: 1139600 -6.27481 -41.3001 46.0387 -41.3001 22.8771 -24.3644 46.0386 -24.3642 9.53384 GPRESSAVG: 1139600 -6.59265 -44.0319 44.4187 -38.4085 23.1138 -23.977 47.1765 -24.1608 9.33958 TIMING: 1139600 CPU: 3302.42, 0.0029079/step Wall: 3302.42, 0.0029079/step, 3.11824 hours remaining, 208.183594 MB of memory in use. ENERGY: 1139600 796.4209 2087.0376 1924.8858 110.0154 -206517.9342 17831.1162 0.0000 0.0000 34396.1977 -149372.2607 300.3905 -183768.4584 -149273.6161 298.8775 -97.4126 -65.1303 557300.7880 8.7120 8.6202 PRESSURE: 1139800 -109.657 -20.5572 -33.9416 -20.557 17.6406 206.665 -33.9413 206.666 -103.954 GPRESSURE: 1139800 -106.297 97.9168 -51.4317 11.9001 82.4135 176.303 -10.0668 211.076 -79.3761 PRESSAVG: 1139800 79.968 -43.1768 1.59151 -43.1767 -6.2136 23.7828 1.59147 23.7828 -81.9017 GPRESSAVG: 1139800 79.8198 -39.5843 0.265203 -46.4792 -6.3056 23.2834 4.30568 26.2396 -81.5909 TIMING: 1139800 CPU: 3303, 0.00290692/step Wall: 3303, 0.00290692/step, 3.11703 hours remaining, 208.183594 MB of memory in use. ENERGY: 1139800 763.9232 2051.1189 1959.8831 102.9488 -206463.1295 17813.2221 0.0000 0.0000 34259.6754 -149512.3581 299.1983 -183772.0336 -149408.2388 298.6095 -65.3234 -34.4199 557303.2495 -2.7158 -2.6922 PRESSURE: 1140000 -77.6942 57.8526 -120.151 57.8529 -90.6911 -45.5513 -120.15 -45.55 459.788 GPRESSURE: 1140000 -87.3927 -15.7898 -135.181 73.9769 -50.7217 -43.5351 -121.899 -25.566 524.127 PRESSAVG: 1140000 -22.0494 -40.1786 -4.55363 -40.1786 -46.5249 50.1605 -4.55361 50.1604 14.7931 GPRESSAVG: 1140000 -21.7645 -41.5731 -5.13515 -38.598 -47.0047 48.9005 -4.9751 49.9683 15.2812 TIMING: 1140000 CPU: 3303.57, 0.00288804/step Wall: 3303.57, 0.00288804/step, 3.09662 hours remaining, 208.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1140000 750.9508 2084.2720 1947.8023 117.4008 -206417.9543 18117.1245 0.0000 0.0000 33973.7229 -149426.6809 296.7010 -183400.4038 -149333.0260 297.7501 97.1342 128.6707 558896.1137 -17.9270 -17.8293 PRESSURE: 1140200 78.4333 72.1505 148.656 72.1498 -0.944618 49.9626 148.656 49.9635 3.47849 GPRESSURE: 1140200 93.8391 122.59 124.092 25.2283 45.9104 88.798 213.106 50.7604 36.4803 PRESSAVG: 1140200 -26.9383 9.20434 -1.40482 9.20435 38.5593 37.4977 -1.40467 37.4978 -9.35248 GPRESSAVG: 1140200 -26.9627 8.2092 -0.308398 9.56609 39.3411 37.8021 -2.51571 36.9845 -9.89349 TIMING: 1140200 CPU: 3304.15, 0.00288298/step Wall: 3304.15, 0.00288298/step, 3.09104 hours remaining, 208.183594 MB of memory in use. ENERGY: 1140200 725.0828 2112.8497 1934.5542 106.2211 -206217.6770 17754.0134 0.0000 0.0000 34132.1301 -149452.8257 298.0844 -183584.9558 -149357.9911 299.0249 26.9891 58.7433 557260.7930 0.7562 0.8283 LDB: ============= START OF LOAD BALANCING ============== 3307.53 LDB: ============== END OF LOAD BALANCING =============== 3307.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3307.54 LDB: ============= START OF LOAD BALANCING ============== 3307.82 LDB: Largest compute 4820 load 0.024552 is 20.8% of average load 0.117989 LDB: Average compute 0.001709 is 1.4% of average load 0.117989 LDB: TIME 3307.83 LOAD: AVG 0.117989 MAX 0.185244 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.184 MB LDB: TIME 3307.83 LOAD: AVG 0.117989 MAX 0.185244 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.227 MB LDB: TIME 3307.83 LOAD: AVG 0.117989 MAX 0.185244 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.227 MB LDB: ============== END OF LOAD BALANCING =============== 3307.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3307.83 PRESSURE: 1140400 -217.861 61.518 67.2426 61.5171 49.4436 -7.03275 67.2424 -7.03138 125.751 GPRESSURE: 1140400 -202.981 60.3542 142.11 18.0169 99.0038 32.3152 66.1143 -42.2139 161.897 PRESSAVG: 1140400 -15.8103 -25.4697 6.00938 -25.4698 33.8356 32.3318 6.00941 32.3319 -11.7627 GPRESSAVG: 1140400 -15.673 -24.8316 7.05667 -25.4193 34.5219 33.7915 7.24047 30.6416 -12.1705 TIMING: 1140400 CPU: 3304.74, 0.00293499/step Wall: 3304.74, 0.00293499/step, 3.14664 hours remaining, 206.953125 MB of memory in use. ENERGY: 1140400 726.5453 2123.1217 1924.0192 110.5941 -206357.3755 18036.9721 0.0000 0.0000 33986.5883 -149449.5348 296.8133 -183436.1231 -149355.0283 298.2648 -14.2222 19.3066 558202.3675 2.0875 2.2261 PRESSURE: 1140600 245.498 -102.028 82.1362 -102.028 22.1088 -74.7619 82.1357 -74.7627 -16.2827 GPRESSURE: 1140600 282.851 -134.111 140.716 7.7663 52.1745 17.5193 11.7273 -186.368 11.445 PRESSAVG: 1140600 36.5074 -12.6649 34.6463 -12.6649 -74.6673 25.1837 34.6463 25.1838 32.3725 GPRESSAVG: 1140600 36.8934 -12.392 34.3435 -12.8333 -75.8668 26.835 32.9717 25.1389 32.891 TIMING: 1140600 CPU: 3305.31, 0.00287257/step Wall: 3305.31, 0.00287257/step, 3.07956 hours remaining, 207.156250 MB of memory in use. ENERGY: 1140600 726.0081 2079.5158 1935.2128 112.8607 -206306.4638 17845.0546 0.0000 0.0000 34180.5953 -149427.2167 298.5076 -183607.8120 -149339.9193 298.4168 83.7746 115.4903 556623.1613 -1.9291 -2.0275 PRESSURE: 1140800 69.6889 83.6154 5.8811 83.616 -195.59 -34.869 5.88036 -34.8688 26.5493 GPRESSURE: 1140800 134.854 101.383 -5.87198 101.854 -184.676 27.5175 -25.2488 -40.6888 45.3709 PRESSAVG: 1140800 32.9968 -31.9763 7.37398 -31.9763 -51.7994 -7.27678 7.37398 -7.27675 13.0174 GPRESSAVG: 1140800 31.955 -31.827 6.95349 -32.8025 -50.4542 -10.8337 8.85926 -6.39691 13.0885 TIMING: 1140800 CPU: 3305.9, 0.00291904/step Wall: 3305.9, 0.00291904/step, 3.12922 hours remaining, 207.156250 MB of memory in use. ENERGY: 1140800 731.6203 2090.4351 1974.0446 127.2196 -206201.8151 17615.3551 0.0000 0.0000 34199.2980 -149463.8424 298.6710 -183663.1404 -149372.0076 298.6968 -33.1171 -1.4836 556681.0087 -1.9284 -1.8036 PRESSURE: 1141000 -7.2725 -99.8056 -54.2476 -99.8055 150.674 58.3618 -54.246 58.3605 -77.2211 GPRESSURE: 1141000 42.1635 -114.482 17.3571 -47.7733 148.353 34.2539 -50.8684 48.5507 -27.3196 PRESSAVG: 1141000 24.7707 9.82919 -13.3476 9.82919 51.7911 23.3927 -13.3477 23.3928 -43.6907 GPRESSAVG: 1141000 25.1015 8.82646 -10.6423 12.5265 50.9613 25.7465 -14.5644 24.3976 -42.6894 TIMING: 1141000 CPU: 3306.48, 0.00289548/step Wall: 3306.48, 0.00289548/step, 3.10379 hours remaining, 207.156250 MB of memory in use. ENERGY: 1141000 760.2067 2090.5392 1948.1393 118.9642 -206296.9750 18069.1912 0.0000 0.0000 33951.5785 -149358.3559 296.5076 -183309.9343 -149259.4651 298.9523 22.0601 54.3990 558262.0628 10.9570 11.1245 PRESSURE: 1141200 -367.972 -29.0725 -34.3355 -29.0718 -283.833 -72.9193 -34.3368 -72.9187 -67.9971 GPRESSURE: 1141200 -303.483 -5.24758 -67.4736 -14.6979 -230.872 -154.108 -17.6057 -91.2056 -87.1245 PRESSAVG: 1141200 64.8896 21.2861 -12.2289 21.2861 -49.8329 -6.6061 -12.2289 -6.60614 -27.5154 GPRESSAVG: 1141200 65.3052 22.5779 -12.3244 18.7995 -49.2091 -9.08997 -13.4601 -7.08278 -28.5799 TIMING: 1141200 CPU: 3307.06, 0.0029267/step Wall: 3307.06, 0.0029267/step, 3.1371 hours remaining, 207.156250 MB of memory in use. ENERGY: 1141200 731.0597 2104.6187 1958.8830 100.8821 -206101.6078 17575.7423 0.0000 0.0000 34260.2548 -149370.1673 299.2033 -183630.4220 -149264.8411 297.9501 -239.9340 -207.1598 559047.4296 -4.1529 -4.1612 PRESSURE: 1141400 -185.043 -24.1935 46.7751 -24.1918 -304.465 219.846 46.7752 219.845 68.6024 GPRESSURE: 1141400 -143.004 7.87482 12.4759 19.6743 -236.246 228.874 34.4017 226.102 60.6982 PRESSAVG: 1141400 -28.9038 -4.70542 47.8608 -4.70542 -33.2582 3.10748 47.8609 3.10748 65.946 GPRESSAVG: 1141400 -28.2533 -4.53603 44.6094 -3.67719 -33.1514 4.04191 50.4417 3.75529 65.8876 TIMING: 1141400 CPU: 3307.64, 0.00289179/step Wall: 3307.64, 0.00289179/step, 3.09952 hours remaining, 207.156250 MB of memory in use. ENERGY: 1141400 738.1833 2094.5402 1959.9026 109.7368 -206086.7077 17704.5818 0.0000 0.0000 33908.2218 -149571.5413 296.1289 -183479.7631 -149471.7923 298.3000 -140.3019 -106.1838 560078.1074 1.2613 1.4943 PRESSURE: 1141600 30.6971 20.6803 -18.7375 20.6804 116.801 -19.3375 -18.7384 -19.336 13.9093 GPRESSURE: 1141600 51.5235 -21.572 -11.7885 27.4043 140.268 -22.7543 -34.8834 26.4156 75.4971 PRESSAVG: 1141600 73.483 21.644 18.3857 21.644 -44.1225 25.6912 18.3858 25.6913 -14.6603 GPRESSAVG: 1141600 72.9693 21.3413 20.8199 21.1713 -42.8683 25.6634 17.0752 22.1866 -15.1294 TIMING: 1141600 CPU: 3308.22, 0.00289754/step Wall: 3308.22, 0.00289754/step, 3.10552 hours remaining, 207.156250 MB of memory in use. ENERGY: 1141600 711.7549 2074.1920 1940.5378 111.6294 -206665.2942 18059.6737 0.0000 0.0000 34297.6240 -149469.8824 299.5297 -183767.5064 -149380.6665 297.5297 53.8026 89.0964 558803.1572 4.9001 4.9905 PRESSURE: 1141800 -322.123 -72.6001 -147.072 -72.6005 -272.19 120.499 -147.072 120.499 -420.055 GPRESSURE: 1141800 -277.769 -118.883 -229.786 -45.6003 -243.428 88.7234 -96.1016 118.244 -397.516 PRESSAVG: 1141800 14.8086 -16.4503 19.9218 -16.4503 -32.7007 15.9004 19.922 15.9004 -56.8956 GPRESSAVG: 1141800 15.6118 -16.2264 18.631 -16.4016 -33.6525 16.7361 22.1805 17.7583 -57.1125 TIMING: 1141800 CPU: 3308.8, 0.00289726/step Wall: 3308.8, 0.00289726/step, 3.10506 hours remaining, 207.156250 MB of memory in use. ENERGY: 1141800 754.6187 2064.5301 1922.6329 106.2887 -205756.6867 17494.5238 0.0000 0.0000 34041.2145 -149372.8779 297.2904 -183414.0924 -149281.1176 297.8673 -338.1226 -306.2375 561097.8221 -24.9292 -25.0511 PRESSURE: 1142000 -81.4134 51.0684 93.3192 51.0684 53.8677 -49.4189 93.3193 -49.42 -92.9292 GPRESSURE: 1142000 -33.5465 2.31055 134.374 122.662 106.087 -121.184 21.4393 -7.6687 -91.7685 PRESSAVG: 1142000 10.4023 -20.2873 -46.6771 -20.2873 -17.4355 -7.27759 -46.6771 -7.27761 -5.39074 GPRESSAVG: 1142000 11.0215 -20.3337 -45.8407 -20.6344 -18.1657 -9.1243 -49.5431 -7.17977 -4.97647 TIMING: 1142000 CPU: 3309.37, 0.00288178/step Wall: 3309.37, 0.00288178/step, 3.08831 hours remaining, 207.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1142000 705.8056 2020.8967 1933.6822 119.8253 -206171.9996 17839.9384 0.0000 0.0000 34188.4237 -149363.4277 298.5760 -183551.8513 -149262.3532 298.6399 -40.1583 -6.4092 558591.7277 -4.1413 -4.0402 PRESSURE: 1142200 -173.246 -164.736 22.9958 -164.736 -176.491 -81.3475 22.9951 -81.346 -220.549 GPRESSURE: 1142200 -98.235 -198.268 -2.85927 -97.6783 -146.848 -34.0505 31.4742 -90.1446 -215.278 PRESSAVG: 1142200 13.7914 -35.7936 42.9621 -35.7934 39.3309 21.9906 42.9621 21.9906 -39.6302 GPRESSAVG: 1142200 12.9184 -36.1659 41.7459 -37.0158 39.5756 22.7694 45.6503 23.2563 -38.951 TIMING: 1142200 CPU: 3309.95, 0.00289909/step Wall: 3309.95, 0.00289909/step, 3.1067 hours remaining, 207.156250 MB of memory in use. ENERGY: 1142200 713.9270 2063.3507 1937.9192 129.7182 -205923.9614 17541.6912 0.0000 0.0000 34283.9625 -149253.3926 299.4104 -183537.3551 -149155.7946 299.1646 -190.0956 -153.4538 558639.3335 4.4974 4.5144 PRESSURE: 1142400 21.1625 86.6136 24.0972 86.6141 185.968 -55.1753 24.0979 -55.1765 -74.1292 GPRESSURE: 1142400 34.1923 9.23143 100.589 113.08 240.145 -123.761 -23.4988 5.65363 -55.373 PRESSAVG: 1142400 7.4643 8.76615 -18.3227 8.76612 -23.8136 17.4391 -18.3227 17.4391 3.47458 GPRESSAVG: 1142400 7.0713 8.54288 -17.4618 10.0186 -22.5549 18.4127 -19.9968 16.2891 2.92063 TIMING: 1142400 CPU: 3310.53, 0.0028787/step Wall: 3310.53, 0.0028787/step, 3.08469 hours remaining, 207.156250 MB of memory in use. ENERGY: 1142400 715.6240 2083.0650 1896.9265 121.0006 -206047.9718 17706.9199 0.0000 0.0000 34312.2306 -149212.2052 299.6572 -183524.4359 -149110.8955 299.2715 44.3337 72.9879 558286.4334 -4.2916 -4.1876 PRESSURE: 1142600 -242.938 -42.547 -229.617 -42.5483 -42.059 -269.445 -229.618 -269.444 -36.3228 GPRESSURE: 1142600 -178.265 23.7351 -158.903 -94.1634 -75.3588 -168.982 -170.518 -329.333 30.3002 PRESSAVG: 1142600 27.2262 -61.9026 17.7559 -61.9027 22.9339 1.17308 17.7558 1.17312 -23.3339 GPRESSAVG: 1142600 28.4067 -62.349 20.2999 -61.549 21.0212 -0.699983 16.5114 2.01948 -22.062 TIMING: 1142600 CPU: 3311.11, 0.002911/step Wall: 3311.11, 0.002911/step, 3.11914 hours remaining, 207.156250 MB of memory in use. ENERGY: 1142600 762.4801 2083.3367 1926.6049 105.6730 -206184.2159 17742.7796 0.0000 0.0000 34262.8172 -149300.5245 299.2257 -183563.3416 -149201.0352 299.4558 -107.1065 -74.4411 556739.0067 8.9420 9.1220 PRESSURE: 1142800 79.4876 116.683 -16.8813 116.683 -106.239 -44.9051 -16.8816 -44.905 -35.016 GPRESSURE: 1142800 131.379 48.681 -24.7647 113.762 -47.3189 -14.5337 21.567 -116.272 -37.9068 PRESSAVG: 1142800 40.6296 -56.9559 9.69412 -56.9558 4.61538 -1.56872 9.69411 -1.56861 -18.4978 GPRESSAVG: 1142800 40.591 -55.7397 7.12992 -56.8156 6.77905 -0.936657 10.0609 -2.25492 -20.7715 TIMING: 1142800 CPU: 3311.69, 0.00288578/step Wall: 3311.69, 0.00288578/step, 3.09195 hours remaining, 207.156250 MB of memory in use. ENERGY: 1142800 754.0280 2063.4312 1929.2915 112.2143 -206377.7378 17749.4247 0.0000 0.0000 34200.0829 -149569.2653 298.6778 -183769.3482 -149473.8081 298.0660 -20.5890 15.3843 556589.5293 8.9157 8.8662 PRESSURE: 1143000 236.851 -59.434 8.60254 -59.4334 -110.008 75.5245 8.60401 75.5241 -27.2109 GPRESSURE: 1143000 244.515 -101.622 31.6115 -28.5188 -39.6022 20.9073 -64.312 99.3013 -0.674094 PRESSAVG: 1143000 -8.21005 9.49385 2.62714 9.49384 -22.4595 18.7799 2.62719 18.7801 51.7853 GPRESSAVG: 1143000 -8.0876 7.69555 0.973964 11.869 -23.0532 18.0602 3.81375 19.7761 52.3869 TIMING: 1143000 CPU: 3312.27, 0.00288868/step Wall: 3312.27, 0.00288868/step, 3.0949 hours remaining, 207.156250 MB of memory in use. ENERGY: 1143000 770.5164 2115.1601 1905.4800 89.1967 -206643.7008 18036.9317 0.0000 0.0000 34208.0075 -149518.4084 298.7470 -183726.4159 -149422.0898 297.8238 33.2105 68.0797 557352.6687 7.0386 7.0820 PRESSURE: 1143200 -235.462 5.41289 -51.6776 5.41191 -169.219 -147.988 -51.6781 -147.989 10.6718 GPRESSURE: 1143200 -221.303 54.8615 -35.0357 29.633 -142 -85.8916 -61.8476 -194.482 74.1312 PRESSAVG: 1143200 12.3375 41.3069 -14.3646 41.3069 -8.96745 -40.357 -14.3647 -40.3571 5.35815 GPRESSAVG: 1143200 11.8305 42.4281 -11.3812 37.7302 -8.62112 -37.6177 -14.9301 -42.3321 5.56514 TIMING: 1143200 CPU: 3312.84, 0.00287096/step Wall: 3312.84, 0.00287096/step, 3.07576 hours remaining, 207.156250 MB of memory in use. ENERGY: 1143200 761.0723 2059.5337 1934.1208 111.4869 -206228.3054 17692.6775 0.0000 0.0000 34334.4526 -149334.9616 299.8513 -183669.4141 -149238.4837 299.1599 -131.3363 -96.3907 556293.0859 2.9094 2.9249 PRESSURE: 1143400 -48.2949 191.487 -10.1131 191.487 -270.84 115.249 -10.1148 115.248 -101.672 GPRESSURE: 1143400 6.84191 88.4025 -41.8042 292.377 -282.404 125.442 -50.8124 105.556 -50.8577 PRESSAVG: 1143400 77.714 85.6915 -25.0527 85.6915 -42.6969 57.8047 -25.0527 57.8047 -24.1125 GPRESSAVG: 1143400 76.4233 83.2499 -26.6122 86.4632 -42.2857 57.104 -25.6107 56.1795 -23.6368 TIMING: 1143400 CPU: 3313.41, 0.00286402/step Wall: 3313.41, 0.00286402/step, 3.06816 hours remaining, 207.156250 MB of memory in use. ENERGY: 1143400 761.6182 2022.5249 1908.4183 114.7873 -206288.1030 17727.5350 0.0000 0.0000 34352.1691 -149401.0501 300.0060 -183753.2191 -149295.5966 299.0002 -140.2690 -108.8067 558126.2188 3.6349 3.5003 PRESSURE: 1143600 34.6469 41.8852 12.1449 41.8842 -53.0656 -15.2582 12.1463 -15.2583 29.9174 GPRESSURE: 1143600 97.9159 5.00949 93.0294 74.7896 -57.8171 -49.9375 31.5236 -39.3622 71.9374 PRESSAVG: 1143600 -44.5958 36.0518 -37.3172 36.0518 -90.9942 19.4655 -37.3172 19.4654 99.5674 GPRESSAVG: 1143600 -43.328 38.2547 -36.2666 36.049 -92.6911 17.3848 -34.7539 22.7241 99.8244 TIMING: 1143600 CPU: 3313.99, 0.00287488/step Wall: 3313.99, 0.00287488/step, 3.07963 hours remaining, 207.156250 MB of memory in use. ENERGY: 1143600 715.8158 2104.1916 1925.0981 108.9010 -206331.7887 17815.5197 0.0000 0.0000 34333.1529 -149329.1095 299.8400 -183662.2625 -149229.0530 298.5377 3.8329 37.3454 557675.8527 -12.0076 -12.0649 PRESSURE: 1143800 -34.7146 92.7722 -40.6475 92.7718 -234.272 -67.4397 -40.6484 -67.439 102.456 GPRESSURE: 1143800 -47.9171 68.5855 -47.1799 92.6489 -127.622 -24.5279 -8.61093 -107.438 106.682 PRESSAVG: 1143800 61.9774 27.2201 -44.312 27.2202 -135.298 12.5128 -44.312 12.5128 80.6798 GPRESSAVG: 1143800 62.0053 27.036 -45.3411 26.8171 -134.565 15.0085 -47.5684 11.2796 80.1051 TIMING: 1143800 CPU: 3314.57, 0.00289509/step Wall: 3314.57, 0.00289509/step, 3.10113 hours remaining, 207.156250 MB of memory in use. ENERGY: 1143800 739.5668 2044.7309 1932.2640 120.3124 -206256.3387 17898.6861 0.0000 0.0000 34064.6583 -149456.1203 297.4951 -183520.7786 -149364.2897 298.5477 -55.5101 -22.9523 558646.3406 2.4532 2.5152 PRESSURE: 1144000 -166.348 -92.9875 -4.95565 -92.9873 -215.742 58.9273 -4.95438 58.9252 -154.653 GPRESSURE: 1144000 -126.713 -161.284 13.9805 -58.0887 -161.335 45.401 45.8769 42.9326 -149.149 PRESSAVG: 1144000 22.1146 64.2478 3.64789 64.2477 -62.8999 34.2244 3.6478 34.2243 30.1803 GPRESSAVG: 1144000 22.5456 64.8904 2.34505 65.6195 -62.4674 32.8616 6.14768 34.6496 28.9987 TIMING: 1144000 CPU: 3315.15, 0.00289168/step Wall: 3315.15, 0.00289168/step, 3.09731 hours remaining, 207.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1144000 720.0000 2096.8731 1929.1537 108.5334 -205941.3431 17590.6386 0.0000 0.0000 34006.9440 -149489.2004 296.9911 -183496.1444 -149392.2330 298.1060 -178.9142 -145.7327 559667.2103 -3.5350 -3.6411 PRESSURE: 1144200 -18.501 -51.2595 -116.805 -51.2593 -380.846 180.955 -116.804 180.954 -179.404 GPRESSURE: 1144200 32.3569 -34.9553 -41.1104 -72.0398 -334.462 119.426 -189.081 146.354 -170.019 PRESSAVG: 1144200 24.0357 3.33223 -32.2506 3.33217 21.2156 -3.61882 -32.2507 -3.61884 -5.52223 GPRESSAVG: 1144200 22.6616 2.4616 -33.8227 2.22193 21.8015 -3.55676 -32.5705 -4.17914 -4.59476 TIMING: 1144200 CPU: 3315.72, 0.00288167/step Wall: 3315.72, 0.00288167/step, 3.08643 hours remaining, 207.156250 MB of memory in use. ENERGY: 1144200 703.4886 2113.4927 1925.4583 112.1940 -205962.8170 17555.9984 0.0000 0.0000 34147.9938 -149404.1912 298.2229 -183552.1850 -149302.2220 298.4318 -192.9168 -157.3748 557973.9807 13.2430 13.2895 LDB: ============= START OF LOAD BALANCING ============== 3319.11 LDB: ============== END OF LOAD BALANCING =============== 3319.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3319.11 LDB: ============= START OF LOAD BALANCING ============== 3319.4 LDB: Largest compute 4820 load 0.024694 is 20.9% of average load 0.117991 LDB: Average compute 0.001697 is 1.4% of average load 0.117991 LDB: TIME 3319.4 LOAD: AVG 0.117991 MAX 0.182212 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 3319.4 LOAD: AVG 0.117991 MAX 0.182212 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: TIME 3319.4 LOAD: AVG 0.117991 MAX 0.182212 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3319.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3319.41 PRESSURE: 1144400 -317.826 16.9374 37.9562 16.9381 -230.152 -33.2364 37.9562 -33.2364 162.473 GPRESSURE: 1144400 -272.715 35.0192 8.87856 43.8313 -208.152 5.6467 101.802 -45.0193 188.722 PRESSAVG: 1144400 15.6155 30.6245 51.764 30.6245 30.7616 71.1384 51.764 71.1383 -21.206 GPRESSAVG: 1144400 16.9627 32.5084 54.3564 28.493 29.5028 72.2842 51.714 71.4119 -21.0716 TIMING: 1144400 CPU: 3316.31, 0.00294921/step Wall: 3316.31, 0.00294921/step, 3.1586 hours remaining, 205.480469 MB of memory in use. ENERGY: 1144400 746.1748 2093.9737 1945.5957 112.7268 -206155.6197 17608.8457 0.0000 0.0000 34125.1978 -149523.1051 298.0238 -183648.3029 -149435.3043 298.7534 -128.5018 -97.3815 558145.1325 8.3904 8.4646 PRESSURE: 1144600 97.9457 -34.6319 -40.0431 -34.6321 -25.7392 -92.7728 -40.0428 -92.7746 -41.4195 GPRESSURE: 1144600 107.289 -54.204 0.122747 5.09703 29.5236 -50.1774 -77.8924 -98.3369 -8.58148 PRESSAVG: 1144600 31.7188 0.372953 34.4149 0.372877 26.8852 1.75862 34.4148 1.7587 -49.8749 GPRESSAVG: 1144600 29.6975 -1.06392 34.9525 1.41636 27.9301 0.527143 33.9175 2.95602 -48.6887 TIMING: 1144600 CPU: 3316.89, 0.00289586/step Wall: 3316.89, 0.00289586/step, 3.10131 hours remaining, 205.480469 MB of memory in use. ENERGY: 1144600 733.0304 2026.2720 1919.1820 110.8458 -206662.6290 17897.6594 0.0000 0.0000 34364.2761 -149611.3634 300.1118 -183975.6394 -149518.5062 298.1484 10.2624 42.7438 556601.5764 2.9097 2.9796 PRESSURE: 1144800 -44.2588 41.6457 23.4565 41.646 86.793 18.3785 23.4572 18.379 251.4 GPRESSURE: 1144800 22.9474 -12.8196 89.38 170.653 74.4447 17.0741 -64.9658 -3.02826 277.039 PRESSAVG: 1144800 24.0657 -55.9674 -26.6313 -55.9674 -30.6833 5.77781 -26.6314 5.77785 46.1664 GPRESSAVG: 1144800 24.9835 -56.7152 -26.3598 -54.6005 -31.8898 6.00791 -28.3593 4.14063 45.9234 TIMING: 1144800 CPU: 3317.47, 0.002901/step Wall: 3317.47, 0.002901/step, 3.10665 hours remaining, 205.480469 MB of memory in use. ENERGY: 1144800 754.8605 2101.6362 1949.9885 118.5074 -206719.2139 17871.8069 0.0000 0.0000 34255.6450 -149666.7693 299.1631 -183922.4144 -149571.5811 298.4085 97.9779 124.8103 555064.5835 13.1829 13.0057 PRESSURE: 1145000 284.553 -37.9019 9.83752 -37.9014 302.209 14.6958 9.83831 14.6943 310.41 GPRESSURE: 1145000 253.402 19.1677 21.979 -33.4883 381.029 26.7337 107.629 -107.299 354.47 PRESSAVG: 1145000 3.65025 -0.660137 14.8482 -0.660195 -2.96189 10.8271 14.8482 10.827 11.4144 GPRESSAVG: 1145000 4.20457 -2.26571 13.3144 1.13589 -2.05703 10.8458 16.8583 10.9561 10.2994 TIMING: 1145000 CPU: 3318.05, 0.00291053/step Wall: 3318.05, 0.00291053/step, 3.11669 hours remaining, 205.480469 MB of memory in use. ENERGY: 1145000 707.1255 2091.2295 1927.0787 112.2724 -206764.9512 18232.0748 0.0000 0.0000 34155.8613 -149539.3090 298.2916 -183695.1703 -149443.4787 298.2275 299.0577 329.6339 555966.1025 4.0342 4.1490 PRESSURE: 1145200 -161.743 -30.5772 -16.6218 -30.5764 -59.9245 -15.5083 -16.6226 -15.509 -165.782 GPRESSURE: 1145200 -163.253 -112.194 58.0552 -7.5599 9.72221 -36.8161 -77.481 -5.31979 -130.064 PRESSAVG: 1145200 62.4516 -22.4968 -25.3864 -22.4968 1.42026 -30.7322 -25.3864 -30.7322 -54.6502 GPRESSAVG: 1145200 63.3804 -19.6307 -26.258 -25.6927 1.12774 -30.9394 -25.6218 -30.4576 -55.146 TIMING: 1145200 CPU: 3318.64, 0.00291884/step Wall: 3318.64, 0.00291884/step, 3.12543 hours remaining, 205.480469 MB of memory in use. ENERGY: 1145200 758.4160 2049.3483 1956.3380 103.7403 -206236.5364 17738.8069 0.0000 0.0000 34107.2555 -149522.6314 297.8671 -183629.8869 -149429.8276 298.3216 -129.1497 -94.5314 557028.5337 3.0739 3.1207 PRESSURE: 1145400 58.5926 83.8203 -16.8712 83.8214 108.401 -21.8945 -16.8714 -21.8929 -32.7684 GPRESSURE: 1145400 161.419 166.589 -9.07313 -3.59958 55.939 -51.7919 -52.0654 -27.1501 17.9406 PRESSAVG: 1145400 28.3294 -48.8299 -26.8496 -48.8297 79.5396 -56.0591 -26.8496 -56.0592 -42.8204 GPRESSAVG: 1145400 27.9849 -50.2726 -24.8546 -47.1771 79.6198 -55.0404 -28.1729 -55.5317 -42.4803 TIMING: 1145400 CPU: 3319.22, 0.00291924/step Wall: 3319.22, 0.00291924/step, 3.12569 hours remaining, 205.480469 MB of memory in use. ENERGY: 1145400 687.6417 2131.5314 1954.4765 114.5754 -206146.9318 17756.9739 0.0000 0.0000 34118.7574 -149382.9754 297.9676 -183501.7328 -149292.6856 298.4437 44.7419 78.4328 558529.9782 21.6829 21.7081 PRESSURE: 1145600 162.771 68.6556 -39.7843 68.6568 -99.8939 121.797 -39.785 121.798 -27.5747 GPRESSURE: 1145600 179.115 116.909 -49.9417 15.4994 -118.487 98.0547 -26.6151 179.558 60.4414 PRESSAVG: 1145600 -9.87992 -7.8443 -33.6019 -7.84437 40.3621 -38.3116 -33.6019 -38.3116 -19.4628 GPRESSAVG: 1145600 -10.0638 -8.28183 -34.8629 -6.52378 40.8114 -41.0323 -32.2141 -38.7108 -19.9148 TIMING: 1145600 CPU: 3319.8, 0.00289764/step Wall: 3319.8, 0.00289764/step, 3.1024 hours remaining, 205.480469 MB of memory in use. ENERGY: 1145600 769.6127 2087.9852 1943.1665 104.7192 -206389.7804 17902.4403 0.0000 0.0000 34205.9213 -149375.9352 298.7288 -183581.8565 -149275.1696 298.6070 11.7673 40.3564 557728.5439 3.6731 3.6110 PRESSURE: 1145800 -48.3673 32.2875 -102.788 32.2868 -260.363 -57.7645 -102.787 -57.7657 -129.079 GPRESSURE: 1145800 -112.691 -1.29371 -87.9906 141.868 -138.005 -120.867 -61.8412 -21.6791 -80.2034 PRESSAVG: 1145800 38.5736 11.8612 -30.3601 11.8613 43.1725 -22.209 -30.3601 -22.2091 -49.7234 GPRESSAVG: 1145800 38.4822 12.5472 -29.7025 10.1621 42.6337 -20.8394 -29.9139 -21.8075 -49.0085 TIMING: 1145800 CPU: 3320.38, 0.00289661/step Wall: 3320.38, 0.00289661/step, 3.10115 hours remaining, 205.480469 MB of memory in use. ENERGY: 1145800 748.9425 2029.0605 1944.7120 120.1191 -205628.4450 17523.2082 0.0000 0.0000 34083.3617 -149179.0411 297.6585 -183262.4027 -149079.0579 299.1165 -145.9364 -110.2998 558102.3680 10.6742 10.7025 PRESSURE: 1146000 -72.7564 -70.2899 58.7955 -70.2903 15.083 48.4846 58.7954 48.4833 118.527 GPRESSURE: 1146000 -28.2711 -112.911 79.5091 -48.022 37.9131 51.0154 66.6064 58.1778 150.149 PRESSAVG: 1146000 -34.8586 14.2825 62.749 14.2827 7.14643 14.4751 62.7491 14.4752 -2.97008 GPRESSAVG: 1146000 -35.0678 14.0769 63.1248 14.5141 7.5098 11.6193 61.6355 15.1749 -2.9986 TIMING: 1146000 CPU: 3320.96, 0.00287337/step Wall: 3320.96, 0.00287337/step, 3.0761 hours remaining, 205.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1146000 765.1159 2059.2599 1925.8684 112.7486 -206680.2461 18219.1303 0.0000 0.0000 34281.8316 -149316.2914 299.3918 -183598.1230 -149218.3239 299.0143 20.2847 53.2637 558211.1348 -10.2274 -10.1855 PRESSURE: 1146200 60.6274 4.05737 20.8727 4.0567 176.312 9.89993 20.872 9.90023 -384.016 GPRESSURE: 1146200 70.3147 93.0156 25.0707 25.1175 215.664 34.7798 0.0793351 -4.10689 -336.283 PRESSAVG: 1146200 50.2694 -52.1141 30.5961 -52.1142 -19.4601 -39.0129 30.596 -39.0128 -36.2807 GPRESSAVG: 1146200 50.3628 -55.8349 29.6886 -50.4529 -20.3928 -35.3928 31.3207 -40.8972 -36.2069 TIMING: 1146200 CPU: 3321.53, 0.00287536/step Wall: 3321.53, 0.00287536/step, 3.07808 hours remaining, 205.480469 MB of memory in use. ENERGY: 1146200 762.3335 2008.9835 1928.4149 108.8200 -206428.8972 17890.6130 0.0000 0.0000 34367.0153 -149362.7169 300.1357 -183729.7322 -149262.5125 299.0384 -49.0258 -16.7680 558278.3170 -1.8238 -2.0790 PRESSURE: 1146400 229.625 -27.7507 105.978 -27.7508 382.048 -32.9266 105.978 -32.9261 418.791 GPRESSURE: 1146400 279.727 -19.9153 16.5151 -66.6406 427.259 -102.269 114.408 11.2192 416.207 PRESSAVG: 1146400 23.8584 -25.9652 -58.5773 -25.9652 44.9632 12.8264 -58.5774 12.8263 -56.3272 GPRESSAVG: 1146400 23.1478 -23.3123 -58.4415 -27.906 45.919 10.3587 -58.6738 13.7335 -56.4435 TIMING: 1146400 CPU: 3322.11, 0.00290483/step Wall: 3322.11, 0.00290483/step, 3.10946 hours remaining, 205.480469 MB of memory in use. ENERGY: 1146400 709.9846 2041.1854 1921.6496 115.7625 -206557.2531 18227.5293 0.0000 0.0000 34242.5163 -149298.6255 299.0484 -183541.1418 -149207.5127 298.9168 343.4879 374.3977 557420.6125 4.1648 4.2078 PRESSURE: 1146600 -278.58 -97.9883 32.9994 -97.9878 -85.2971 -2.29486 32.9986 -2.29507 -234.03 GPRESSURE: 1146600 -163.87 -86.4688 22.6996 -177.876 -62.0311 25.092 15.5381 -20.1099 -270.971 PRESSAVG: 1146600 11.6524 -7.08742 -7.81545 -7.08741 7.03729 -42.5231 -7.81542 -42.523 -3.80262 GPRESSAVG: 1146600 11.9517 -5.62078 -6.6079 -9.46259 6.15656 -42.0492 -9.52526 -43.4826 -3.32515 TIMING: 1146600 CPU: 3322.69, 0.0028935/step Wall: 3322.69, 0.0028935/step, 3.09717 hours remaining, 205.480469 MB of memory in use. ENERGY: 1146600 737.1362 2044.6309 1936.9326 101.0089 -205983.2191 17590.8788 0.0000 0.0000 34183.4344 -149389.1971 298.5324 -183572.6315 -149295.7300 299.2661 -199.3024 -165.6238 557956.4516 4.9624 4.9277 PRESSURE: 1146800 62.0806 127.222 3.08762 127.22 -153.733 -42.3235 3.08834 -42.3234 -131.913 GPRESSURE: 1146800 87.1331 152.403 48.5229 148.14 -87.4953 -18.0449 -75.5826 -37.1214 -114.82 PRESSAVG: 1146800 35.7501 -39.3493 -22.8529 -39.3493 -25.1492 -28.338 -22.8529 -28.3379 -20.0354 GPRESSAVG: 1146800 36.1667 -39.1337 -21.8163 -35.5466 -24.9341 -27.4045 -22.6597 -28.4411 -20.4727 TIMING: 1146800 CPU: 3323.27, 0.00288179/step Wall: 3323.27, 0.00288179/step, 3.08448 hours remaining, 205.582031 MB of memory in use. ENERGY: 1146800 735.0299 2099.9108 1907.7717 110.1552 -206215.8306 17713.8641 0.0000 0.0000 34205.6494 -149443.4495 298.7264 -183649.0988 -149352.5934 299.6667 -74.5219 -38.3939 558311.2627 -3.1449 -3.0800 PRESSURE: 1147000 145.658 46.4154 -174.025 46.416 43.013 134.284 -174.026 134.284 85.1883 GPRESSURE: 1147000 225.388 70.7874 -112.419 -5.6899 76.0687 181.62 -207.371 8.09902 69.7535 PRESSAVG: 1147000 11.2033 21.1931 -7.05338 21.193 48.9416 -30.8522 -7.05339 -30.8522 -53.9819 GPRESSAVG: 1147000 10.6661 19.8652 -8.90127 20.7461 48.5249 -31.3931 -6.42774 -30.2673 -53.5729 TIMING: 1147000 CPU: 3323.84, 0.00289092/step Wall: 3323.84, 0.00289092/step, 3.09408 hours remaining, 205.582031 MB of memory in use. ENERGY: 1147000 745.5453 2028.2359 1940.1477 123.7510 -206555.8961 17997.8276 0.0000 0.0000 34211.1234 -149509.2651 298.7742 -183720.3885 -149408.0259 298.9847 91.2863 123.7367 557424.1442 2.0543 1.8727 PRESSURE: 1147200 41.556 58.6947 -6.96981 58.695 21.8638 -88.328 -6.96982 -88.3285 119.328 GPRESSURE: 1147200 56.8728 68.7669 -6.04256 -6.73726 113.366 -51.2442 -5.23501 -100.089 129.065 PRESSAVG: 1147200 52.4912 -26.1486 21.4907 -26.1486 0.456559 55.8769 21.4907 55.8768 7.61724 GPRESSAVG: 1147200 51.5318 -26.0125 23.0132 -26.3914 0.986333 58.123 22.6045 55.0653 8.50326 TIMING: 1147200 CPU: 3324.42, 0.00289443/step Wall: 3324.42, 0.00289443/step, 3.09769 hours remaining, 205.582031 MB of memory in use. ENERGY: 1147200 755.4739 2058.1674 1936.6242 114.2789 -206424.9991 17939.9498 0.0000 0.0000 34089.8154 -149530.6895 297.7148 -183620.5049 -149437.7247 298.5588 60.9161 99.7680 557043.4912 20.1883 20.3405 PRESSURE: 1147400 133.748 104.113 -4.52954 104.114 -68.805 -81.1279 -4.52892 -81.1283 116.158 GPRESSURE: 1147400 196.58 144.423 36.0561 26.176 13.4329 -105.883 34.5584 -7.6258 67.004 PRESSAVG: 1147400 -6.10795 23.3629 -4.07923 23.3629 -34.4573 -3.82827 -4.0792 -3.82836 30.6838 GPRESSAVG: 1147400 -5.21356 24.3185 -4.44889 23.8905 -35.1437 -4.76215 -2.80584 -1.28044 30.4709 TIMING: 1147400 CPU: 3325.01, 0.00292988/step Wall: 3325.01, 0.00292988/step, 3.13546 hours remaining, 205.582031 MB of memory in use. ENERGY: 1147400 716.6373 2103.4134 1932.3114 98.7538 -206765.4889 17937.5252 0.0000 0.0000 34422.3112 -149554.5367 300.6186 -183976.8479 -149452.9315 298.9186 60.3669 92.3391 555698.1716 -3.2938 -3.2955 PRESSURE: 1147600 -80.6702 129.471 -76.6612 129.471 -135.59 -82.7206 -76.6619 -82.7207 -55.0756 GPRESSURE: 1147600 -97.0768 113.348 -71.6869 108.679 -63.7209 -20.5193 -186.393 -109.3 -15.5009 PRESSAVG: 1147600 36.2311 10.4704 -61.0506 10.4704 -96.9351 24.3916 -61.0506 24.3915 59.1348 GPRESSAVG: 1147600 35.9489 8.71359 -62.001 10.4289 -96.9115 23.4822 -62.2821 20.5142 60.0394 TIMING: 1147600 CPU: 3325.6, 0.00293577/step Wall: 3325.6, 0.00293577/step, 3.1416 hours remaining, 205.582031 MB of memory in use. ENERGY: 1147600 761.6580 2087.5359 1939.1191 106.4711 -206023.3070 17660.8251 0.0000 0.0000 34056.8114 -149410.8864 297.4266 -183467.6978 -149319.9443 299.2718 -90.4451 -58.7662 557478.3602 -0.5231 -0.3077 PRESSURE: 1147800 -40.6411 12.206 54.3767 12.2071 195.981 227.033 54.3763 227.033 -66.7149 GPRESSURE: 1147800 2.50499 155.15 70.2643 -76.9136 224.206 302.918 -9.0293 142.167 -40.7054 PRESSAVG: 1147800 -15.5783 39.9755 7.66516 39.9756 45.4491 1.25045 7.66523 1.25049 -7.72262 GPRESSAVG: 1147800 -14.1057 40.5405 7.22972 40.8313 45.2157 2.28799 7.62509 1.54305 -8.41649 TIMING: 1147800 CPU: 3326.18, 0.00291529/step Wall: 3326.18, 0.00291529/step, 3.11952 hours remaining, 205.582031 MB of memory in use. ENERGY: 1147800 726.5704 2088.8001 1942.3158 106.6309 -206489.6600 17955.1480 0.0000 0.0000 34202.8452 -149467.3497 298.7020 -183670.1949 -149364.8852 298.3436 29.5417 62.0018 558162.0674 7.3827 7.5645 PRESSURE: 1148000 -229.234 41.5912 104.018 41.5906 -125.03 -99.5089 104.018 -99.5082 -320.07 GPRESSURE: 1148000 -174.863 34.7811 5.70357 78.9931 -84.4546 -134.438 115.813 -78.4171 -314.244 PRESSAVG: 1148000 -19.7231 57.9654 44.6919 57.9653 28.8845 -34.8556 44.6917 -34.8556 -50.1266 GPRESSAVG: 1148000 -20.3746 59.7646 45.1238 56.2372 29.7904 -34.8154 44.3431 -34.95 -49.9582 TIMING: 1148000 CPU: 3326.76, 0.00289964/step Wall: 3326.76, 0.00289964/step, 3.10261 hours remaining, 205.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1148000 789.6971 2104.7507 1940.7612 118.7531 -206140.5760 17543.2533 0.0000 0.0000 34292.0088 -149351.3517 299.4806 -183643.3606 -149260.8188 298.2489 -224.7776 -191.1874 557199.5163 -13.6551 -13.5141 PRESSURE: 1148200 137.576 21.0022 120.661 21.001 22.7379 -130.631 120.662 -130.63 27.7847 GPRESSURE: 1148200 169.29 48.1771 205.916 16.5212 83.0289 -147.41 25.3625 -150.164 30.8174 PRESSAVG: 1148200 82.2934 -43.7077 -11.7052 -43.7078 -2.38237 -39.571 -11.7053 -39.5712 -48.8809 GPRESSAVG: 1148200 83.664 -45.8178 -10.2713 -41.7965 -1.6729 -40.3376 -12.4178 -39.0347 -51.0573 TIMING: 1148200 CPU: 3327.34, 0.00290512/step Wall: 3327.34, 0.00290512/step, 3.10831 hours remaining, 205.582031 MB of memory in use. ENERGY: 1148200 749.7787 2068.4496 1948.4495 99.5188 -206364.5177 18008.0971 0.0000 0.0000 34100.9926 -149389.2314 297.8125 -183490.2240 -149295.0290 298.5977 62.6994 94.3789 557940.6800 10.3434 10.3113 LDB: ============= START OF LOAD BALANCING ============== 3330.73 LDB: ============== END OF LOAD BALANCING =============== 3330.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3330.73 LDB: ============= START OF LOAD BALANCING ============== 3331.02 LDB: Largest compute 4820 load 0.024687 is 20.9% of average load 0.117974 LDB: Average compute 0.001700 is 1.4% of average load 0.117974 LDB: TIME 3331.02 LOAD: AVG 0.117974 MAX 0.18362 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 3331.02 LOAD: AVG 0.117974 MAX 0.18362 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.645 MB LDB: TIME 3331.02 LOAD: AVG 0.117974 MAX 0.18362 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.645 MB LDB: ============== END OF LOAD BALANCING =============== 3331.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3331.03 PRESSURE: 1148400 -143.437 31.2555 -168.968 31.2554 -106.671 157.963 -168.968 157.962 86.0466 GPRESSURE: 1148400 -160.498 -74.3023 -205.692 42.7347 -87.8756 89.6735 -188.045 151.305 187.335 PRESSAVG: 1148400 56.5362 -4.65099 39.6977 -4.65103 22.39 -45.4665 39.6977 -45.4664 -64.1358 GPRESSAVG: 1148400 55.7161 -4.61167 38.454 -4.60342 21.2239 -45.6354 42.1218 -44.3369 -61.833 TIMING: 1148400 CPU: 3327.93, 0.00296273/step Wall: 3327.93, 0.00296273/step, 3.16979 hours remaining, 207.972656 MB of memory in use. ENERGY: 1148400 776.7847 2139.8411 1930.3786 103.0257 -206285.9509 17695.8801 0.0000 0.0000 34235.4663 -149404.5746 298.9868 -183640.0408 -149307.3365 298.7931 -54.6872 -20.3464 558468.6878 4.9302 5.0357 PRESSURE: 1148600 -43.759 53.6916 -236.634 53.6913 -50.2499 -3.20421 -236.633 -3.20307 -244.532 GPRESSURE: 1148600 -53.919 56.7983 -212.585 38.4894 -10.3589 4.40613 -253.262 -32.6047 -183.102 PRESSAVG: 1148600 32.7665 23.3164 -23.5306 23.3165 -7.87736 -40.8805 -23.5306 -40.8805 -5.98678 GPRESSAVG: 1148600 32.8645 24.0005 -22.6899 20.2879 -7.26416 -41.3743 -25.5283 -41.4382 -7.16642 TIMING: 1148600 CPU: 3328.51, 0.00290924/step Wall: 3328.51, 0.00290924/step, 3.11241 hours remaining, 208.175781 MB of memory in use. ENERGY: 1148600 765.2758 2107.7904 1941.5736 103.1441 -206212.0728 17819.3370 0.0000 0.0000 34127.0054 -149347.9465 298.0396 -183474.9519 -149241.9280 299.1221 -112.8469 -82.4599 558222.5915 6.3008 6.1446 PRESSURE: 1148800 -145.858 -3.6802 -96.4705 -3.67944 61.5885 -59.009 -96.4716 -59.0092 46.9043 GPRESSURE: 1148800 -170.583 29.4082 -59.6382 -24.1051 123.095 -30.6937 -32.9015 -13.6831 92.0002 PRESSAVG: 1148800 -27.8412 -24.5938 -33.9222 -24.5938 57.6486 35.4401 -33.9223 35.44 -55.6552 GPRESSAVG: 1148800 -27.9954 -26.2008 -33.5259 -21.986 58.1356 35.8061 -34.1001 34.9152 -55.6249 TIMING: 1148800 CPU: 3329.1, 0.0029184/step Wall: 3329.1, 0.0029184/step, 3.12204 hours remaining, 208.175781 MB of memory in use. ENERGY: 1148800 732.6770 2118.2582 1918.3955 123.5045 -206252.3170 17907.5830 0.0000 0.0000 34118.1862 -149333.7126 297.9626 -183451.8988 -149238.3388 298.8503 -12.4551 14.8373 557658.5508 -8.6159 -8.4949 PRESSURE: 1149000 102.399 -39.5596 -53.201 -39.5593 -191.112 147.185 -53.202 147.186 132.897 GPRESSURE: 1149000 196.243 -75.9506 -140.971 -25.8335 -200.742 146.113 -101.392 217.492 144.062 PRESSAVG: 1149000 -31.9895 -20.9905 25.3467 -20.9905 25.6629 17.9206 25.3467 17.9206 10.8383 GPRESSAVG: 1149000 -30.8306 -20.2752 23.2969 -22.7493 24.8159 17.6584 25.2992 18.0537 10.4836 TIMING: 1149000 CPU: 3329.68, 0.00289802/step Wall: 3329.68, 0.00289802/step, 3.10007 hours remaining, 208.175781 MB of memory in use. ENERGY: 1149000 757.6054 2118.9490 1936.7499 114.9248 -206398.5237 17859.0850 0.0000 0.0000 34180.9805 -149430.2290 298.5110 -183611.2095 -149334.5603 298.2361 14.7279 46.5208 557471.6496 1.5039 1.4896 PRESSURE: 1149200 176.544 5.62123 -76.2694 5.62005 -79.9627 57.9047 -76.2687 57.9046 40.4347 GPRESSURE: 1149200 154.856 -18.8152 -13.7792 24.0862 7.36907 24.0952 -13.7292 9.97473 76.737 PRESSAVG: 1149200 18.9784 1.5404 9.38183 1.54045 -82.0075 -25.7754 9.38182 -25.7753 41.8942 GPRESSAVG: 1149200 18.0026 2.56267 10.5231 2.40315 -82.2083 -26.172 10.4306 -26.41 42.6168 TIMING: 1149200 CPU: 3330.25, 0.00286944/step Wall: 3330.25, 0.00286943/step, 3.06934 hours remaining, 208.175781 MB of memory in use. ENERGY: 1149200 719.4302 2071.3844 1912.3540 127.7474 -206210.7091 17869.4873 0.0000 0.0000 34121.3860 -149388.9199 297.9906 -183510.3059 -149292.2649 298.4454 45.6721 79.6540 556769.5129 -7.0450 -7.1963 PRESSURE: 1149400 76.3345 98.8788 -10.6209 98.8799 14.4633 -21.278 -10.6215 -21.2771 74.6504 GPRESSURE: 1149400 114.726 98.4745 -12.0744 132.824 42.5711 -76.9729 -33.7215 -58.3476 107.708 PRESSAVG: 1149400 52.3504 21.4647 27.1948 21.4647 -73.5874 12.081 27.1947 12.081 38.6767 GPRESSAVG: 1149400 51.5898 19.7927 28.1026 22.0593 -72.9865 11.813 25.6906 12.1552 38.9017 TIMING: 1149400 CPU: 3330.82, 0.00285445/step Wall: 3330.82, 0.00285445/step, 3.05316 hours remaining, 208.175781 MB of memory in use. ENERGY: 1149400 788.6709 2055.8083 1956.0949 100.3533 -206489.1174 18007.1973 0.0000 0.0000 33977.6786 -149603.3141 296.7355 -183580.9927 -149510.2673 297.9558 55.1494 88.3350 557596.1358 5.8132 5.8350 PRESSURE: 1149600 166.153 11.0373 -187.217 11.037 43.5549 -91.1485 -187.216 -91.1487 185.143 GPRESSURE: 1149600 183.582 31.2833 -156.914 -77.5381 76.3289 -113.03 -98.6577 11.7032 227.125 PRESSAVG: 1149600 14.396 -4.22805 20.8513 -4.22799 -2.00458 38.6613 20.8513 38.6613 -53.7147 GPRESSAVG: 1149600 15.7273 -4.96004 19.4872 -4.1131 -1.76639 38.67 21.0911 39.5352 -55.358 TIMING: 1149600 CPU: 3331.4, 0.0028689/step Wall: 3331.4, 0.0028689/step, 3.06845 hours remaining, 208.175781 MB of memory in use. ENERGY: 1149600 726.0317 2057.8248 1938.3855 117.7909 -206304.6280 17877.1041 0.0000 0.0000 34186.0372 -149401.4537 298.5552 -183587.4909 -149301.5874 298.2963 131.6171 162.3453 556800.1416 -13.7744 -13.7990 PRESSURE: 1149800 256.42 59.9128 -160.503 59.9139 -137.09 124.669 -160.503 124.67 -42.9351 GPRESSURE: 1149800 274.83 133.995 -125.919 -26.8527 -45.1711 79.838 -227.855 102.775 -66.6738 PRESSAVG: 1149800 38.3142 -9.96458 -36.8931 -9.96454 19.518 -27.4824 -36.8931 -27.4824 -45.472 GPRESSAVG: 1149800 37.3204 -7.7418 -36.686 -10.9866 18.1871 -28.3018 -38.3682 -29.2199 -43.4067 TIMING: 1149800 CPU: 3331.98, 0.00290323/step Wall: 3331.98, 0.00290323/step, 3.10501 hours remaining, 208.175781 MB of memory in use. ENERGY: 1149800 781.6195 2094.8856 1938.5003 115.8884 -206386.9956 17942.4061 0.0000 0.0000 34146.7405 -149366.9552 298.2120 -183513.6958 -149272.2672 299.1793 25.4651 54.3285 557879.2445 4.1201 4.0336 PRESSURE: 1150000 -156.063 50.3057 67.2481 50.3053 -22.4731 -144.555 67.2481 -144.556 133.709 GPRESSURE: 1150000 -128.789 52.3139 79.8878 79.0644 -9.34239 -103.714 74.6462 -184.742 190.985 PRESSAVG: 1150000 29.1026 56.0636 -12.0982 56.0637 13.2022 -10.4374 -12.0982 -10.4375 -34.438 GPRESSAVG: 1150000 30.2676 55.2888 -13.4642 57.11 13.3749 -8.79061 -10.871 -9.26939 -35.7042 TIMING: 1150000 CPU: 3332.56, 0.0029323/step Wall: 3332.56, 0.0029323/step, 3.13593 hours remaining, 208.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1150000 707.3670 2083.8277 1933.5053 117.5523 -206294.3211 17790.9091 0.0000 0.0000 34440.0964 -149221.0632 300.7739 -183661.1596 -149122.5289 298.7035 -14.9424 17.6178 558975.5517 2.6222 2.6461 PRESSURE: 1150200 220.868 -97.9875 45.5124 -97.9863 -35.1462 -22.4867 45.513 -22.489 -93.0924 GPRESSURE: 1150200 219.164 -129.27 52.6846 -64.9613 -63.4318 2.27738 82.1593 -31.0917 25.8697 PRESSAVG: 1150200 2.32633 -32.9975 -21.3952 -32.9975 -18.797 7.22616 -21.3952 7.22617 41.7884 GPRESSAVG: 1150200 1.17595 -33.2614 -21.1232 -31.3213 -17.6858 5.8685 -20.0473 6.45576 42.4493 TIMING: 1150200 CPU: 3333.14, 0.00289672/step Wall: 3333.14, 0.00289672/step, 3.09772 hours remaining, 208.175781 MB of memory in use. ENERGY: 1150200 774.4239 2090.6123 1939.3260 113.0374 -206382.1687 17912.0685 0.0000 0.0000 34424.4555 -149128.2451 300.6373 -183552.7006 -149034.6949 299.2283 30.8764 60.5341 557560.3031 8.4392 8.6465 PRESSURE: 1150400 -295.027 -20.5105 -18.8702 -20.51 -294.366 -120.602 -18.8713 -120.604 -228.414 GPRESSURE: 1150400 -229.596 -8.44809 107.355 -89.1943 -266.517 -90.6017 -44.0837 -156.466 -231.927 PRESSAVG: 1150400 -21.2165 -23.1848 -4.90702 -23.1849 -11.0656 -9.73971 -4.90688 -9.73974 51.3756 GPRESSAVG: 1150400 -20.7304 -23.5656 -2.61085 -25.6801 -10.4896 -8.66307 -5.75775 -9.1327 50.5184 TIMING: 1150400 CPU: 3333.72, 0.00289415/step Wall: 3333.72, 0.00289415/step, 3.09481 hours remaining, 208.175781 MB of memory in use. ENERGY: 1150400 782.1378 2059.7355 1956.6167 105.7838 -205857.8879 17556.1261 0.0000 0.0000 34230.7607 -149166.7272 298.9457 -183397.4879 -149077.4267 299.7556 -272.6023 -242.6797 559164.0297 6.3645 6.4328 PRESSURE: 1150600 -127.375 -120.993 -36.9887 -120.992 -40.6001 -10.8654 -36.989 -10.8646 70.025 GPRESSURE: 1150600 -80.8325 -87.2903 -91.6368 -157.118 6.96786 92.2683 52.0284 25.8457 82.3561 PRESSAVG: 1150600 -62.9305 -36.8688 42.6872 -36.8688 20.8195 -15.9187 42.6871 -15.9187 56.1157 GPRESSAVG: 1150600 -62.4817 -35.9213 41.9303 -37.4971 19.6538 -17.6012 41.6122 -15.0837 57.15 TIMING: 1150600 CPU: 3334.3, 0.00287635/step Wall: 3334.3, 0.00287635/step, 3.07562 hours remaining, 208.175781 MB of memory in use. ENERGY: 1150600 756.8648 2083.2077 1945.6991 124.3176 -205912.8539 17650.4038 0.0000 0.0000 34145.1556 -149207.2052 298.1981 -183352.3608 -149112.6466 298.7716 -32.6500 2.8305 556684.8199 4.6682 4.7741 PRESSURE: 1150800 199.707 -101.456 -77.3715 -101.456 220.412 354.036 -77.3734 354.035 505.46 GPRESSURE: 1150800 193.293 -71.0656 -67.6308 -68.5361 315.723 348.738 -60.7564 344.961 505.366 PRESSAVG: 1150800 -4.72822 -51.8551 23.445 -51.8551 28.1743 8.89676 23.445 8.89676 -28.065 GPRESSAVG: 1150800 -4.84503 -52.4363 23.4334 -50.7274 29.7459 10.4538 24.6068 9.35274 -29.4164 TIMING: 1150800 CPU: 3334.87, 0.00287004/step Wall: 3334.87, 0.00287004/step, 3.06871 hours remaining, 208.175781 MB of memory in use. ENERGY: 1150800 723.5360 2086.6108 1927.8101 101.4259 -206335.7215 18070.0595 0.0000 0.0000 34176.2853 -149249.9940 298.4700 -183426.2793 -149153.3956 299.0632 308.5262 338.1274 555554.3357 -1.5396 -1.5051 PRESSURE: 1151000 -167.788 -34.4221 85.8216 -34.421 -149.714 199.658 85.8223 199.657 42.8457 GPRESSURE: 1151000 -88.061 -21.2935 94.4839 -126.735 -108.272 212.189 88.7277 192.09 29.8613 PRESSAVG: 1151000 0.474687 -9.38919 23.9542 -9.38907 -1.54533 -27.2727 23.9543 -27.2727 9.98708 GPRESSAVG: 1151000 0.704496 -10.2023 23.0717 -8.07276 -3.20607 -26.9291 24.9707 -28.943 11.5688 TIMING: 1151000 CPU: 3335.45, 0.00287335/step Wall: 3335.45, 0.00287335/step, 3.07209 hours remaining, 208.175781 MB of memory in use. ENERGY: 1151000 772.4451 2067.6625 1906.7965 106.8211 -205722.0739 17656.3042 0.0000 0.0000 34077.1972 -149134.8474 297.6046 -183212.0446 -149045.3347 299.1759 -91.5522 -55.4905 557156.5060 2.9721 3.0224 PRESSURE: 1151200 -74.3964 -27.8724 -1.21682 -27.8714 73.6098 -0.667042 -1.21688 -0.666785 374.189 GPRESSURE: 1151200 -8.00647 -66.7714 8.86584 17.5733 116.4 -24.6624 81.6854 56.0963 363.256 PRESSAVG: 1151200 -14.0521 -46.6317 34.838 -46.6317 -24.9341 69.7214 34.8379 69.7214 38.8794 GPRESSAVG: 1151200 -14.2861 -45.3233 34.2126 -48.9729 -24.63 67.7276 34.367 71.8278 38.2586 TIMING: 1151200 CPU: 3336.02, 0.00286634/step Wall: 3336.02, 0.00286634/step, 3.06444 hours remaining, 208.175781 MB of memory in use. ENERGY: 1151200 715.5957 2056.2691 1947.0431 118.1063 -205847.2645 17763.7026 0.0000 0.0000 34312.0945 -148934.4531 299.6561 -183246.5476 -148846.4132 299.4710 124.4676 157.2164 556379.4722 -0.0356 -0.2192 PRESSURE: 1151400 -165.925 -52.4872 -15.4394 -52.4881 -42.2886 150.153 -15.4395 150.153 -27.9479 GPRESSURE: 1151400 -132.581 -91.1022 -11.6887 -73.2078 7.56953 97.1307 -100.226 187.505 -22.6848 PRESSAVG: 1151400 -21.1518 -34.1829 -27.0856 -34.183 17.2966 38.5011 -27.0856 38.5011 0.781482 GPRESSAVG: 1151400 -20.9616 -32.7469 -26.947 -33.4099 17.2462 39.5296 -28.3706 38.873 0.255096 TIMING: 1151400 CPU: 3336.6, 0.00289403/step Wall: 3336.6, 0.00289403/step, 3.09388 hours remaining, 208.175781 MB of memory in use. ENERGY: 1151400 748.7604 2081.7750 1915.0629 127.8971 -205780.3436 17753.9101 0.0000 0.0000 34138.2546 -149014.6835 298.1379 -183152.9381 -148910.9879 299.7954 -78.7206 -49.2321 558149.9432 -1.0246 -1.1534 PRESSURE: 1151600 -109.046 -82.4291 15.5608 -82.4294 -343.808 -46.644 15.5626 -46.6438 -122.121 GPRESSURE: 1151600 -76.882 -63.898 38.9159 -107.015 -355.497 -75.597 27.3271 19.2777 -50.6577 PRESSAVG: 1151600 40.2082 -5.00668 -2.61512 -5.00664 19.2447 23.7872 -2.61507 23.7872 -52.8519 GPRESSAVG: 1151600 40.4637 -6.51421 -2.59129 -2.97639 18.4334 23.7174 -2.18009 24.5881 -52.1245 TIMING: 1151600 CPU: 3337.17, 0.00288128/step Wall: 3337.17, 0.00288128/step, 3.08009 hours remaining, 208.300781 MB of memory in use. ENERGY: 1151600 756.5489 2088.8660 1939.2775 118.8854 -205399.4656 17374.9466 0.0000 0.0000 34178.3660 -148942.5752 298.4882 -183120.9412 -148849.4110 299.4335 -191.6585 -161.0123 559813.1653 2.2003 2.2575 PRESSURE: 1151800 -58.1312 -114.839 54.5524 -114.84 -105.772 69.6247 54.5515 69.6261 91.7505 GPRESSURE: 1151800 -50.8996 -117.971 -22.2466 -200.411 -17.1298 36.9855 47.7134 49.6333 95.9016 PRESSAVG: 1151800 23.133 41.4578 41.8959 41.4578 -29.8183 48.8722 41.8959 48.8722 4.54718 GPRESSAVG: 1151800 23.1129 42.3652 41.2332 39.8463 -29.6974 49.3884 41.3531 47.0152 4.35299 TIMING: 1151800 CPU: 3337.75, 0.00288979/step Wall: 3337.75, 0.00288979/step, 3.08902 hours remaining, 208.300781 MB of memory in use. ENERGY: 1151800 746.5239 2055.7801 1938.5949 116.6148 -205759.0795 17662.8899 0.0000 0.0000 34173.6290 -149065.0469 298.4468 -183238.6758 -148962.1517 299.7030 -24.0508 9.2908 558960.0486 -0.7127 -0.7438 PRESSURE: 1152000 -47.2517 19.2651 -50.7302 19.2646 40.3631 -56.4583 -50.7297 -56.4587 -61.5033 GPRESSURE: 1152000 47.4586 -12.6058 -59.3982 -2.77504 30.5357 -16.5245 -70.3931 -14.9263 -45.4897 PRESSAVG: 1152000 -43.3762 43.6758 29.4311 43.6758 -25.1684 5.89542 29.4311 5.89565 18.5591 GPRESSAVG: 1152000 -43.4398 41.7915 30.6174 45.0076 -24.3108 5.19796 29.4594 7.39383 18.4102 TIMING: 1152000 CPU: 3338.33, 0.00288629/step Wall: 3338.33, 0.00288629/step, 3.08513 hours remaining, 208.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1152000 726.5963 2069.6646 1949.9224 104.5233 -205896.5912 17667.1045 0.0000 0.0000 34356.9346 -149021.8455 300.0477 -183378.7801 -148920.6341 299.2506 -22.7973 10.8349 559206.5894 -16.6619 -16.4468 PRESSURE: 1152200 78.8747 27.1615 21.1627 27.1624 -268.036 -263.118 21.163 -263.118 151.883 GPRESSURE: 1152200 149.02 44.6385 -5.35548 31.5934 -249.946 -256.665 55.6569 -234.005 167.193 PRESSAVG: 1152200 84.5389 -9.20927 1.30128 -9.20927 -36.3515 10.9202 1.30119 10.9203 -10.0453 GPRESSAVG: 1152200 86.8314 -8.89878 1.24161 -9.19651 -37.9592 11.9528 0.878183 9.25186 -10.465 TIMING: 1152200 CPU: 3338.9, 0.0028766/step Wall: 3338.9, 0.0028766/step, 3.0746 hours remaining, 208.300781 MB of memory in use. ENERGY: 1152200 740.6331 2060.5349 1931.7548 118.9493 -206126.4330 17874.0435 0.0000 0.0000 34301.3950 -149099.1225 299.5626 -183400.5174 -149000.1329 299.5041 -12.4262 22.0892 559097.4418 12.7140 12.8024 LDB: ============= START OF LOAD BALANCING ============== 3342.29 LDB: ============== END OF LOAD BALANCING =============== 3342.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3342.29 LDB: ============= START OF LOAD BALANCING ============== 3342.58 LDB: Largest compute 4820 load 0.024261 is 20.6% of average load 0.118044 LDB: Average compute 0.001700 is 1.4% of average load 0.118044 LDB: TIME 3342.58 LOAD: AVG 0.118044 MAX 0.184775 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.086 MB LDB: TIME 3342.58 LOAD: AVG 0.118044 MAX 0.184775 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.086 MB LDB: TIME 3342.58 LOAD: AVG 0.118044 MAX 0.184775 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.086 MB LDB: ============== END OF LOAD BALANCING =============== 3342.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3342.59 PRESSURE: 1152400 249.955 196.454 -28.1317 196.454 166.294 -127.151 -28.1316 -127.151 124.152 GPRESSURE: 1152400 274.496 209.343 32.0778 140.638 156.303 -194.035 38.2156 -140.289 196.323 PRESSAVG: 1152400 -12.2785 48.4991 27.7312 48.4991 -73.4779 -4.39226 27.7312 -4.39231 22.5052 GPRESSAVG: 1152400 -15.7282 48.0383 27.1609 49.3721 -71.4623 -7.8818 29.9142 -3.70201 23.9168 TIMING: 1152400 CPU: 3339.49, 0.00292522/step Wall: 3339.49, 0.00292522/step, 3.12641 hours remaining, 207.445312 MB of memory in use. ENERGY: 1152400 711.9849 2058.6490 1922.4826 99.2183 -206270.5386 18069.4630 0.0000 0.0000 34322.5714 -149086.1695 299.7476 -183408.7409 -148989.9687 299.3497 180.1336 209.0407 558273.0438 -21.0837 -21.0912 PRESSURE: 1152600 156.863 146.019 -3.06003 146.02 -296.045 171.086 -3.06233 171.086 180.749 GPRESSURE: 1152600 162.019 100.319 89.7098 171.819 -248.552 130.295 -29.691 169.751 221.325 PRESSAVG: 1152600 43.1368 53.905 8.85121 53.9049 -8.60088 63.1359 8.85122 63.1359 -23.1689 GPRESSAVG: 1152600 44.0522 53.8663 9.81108 52.8142 -7.25062 66.4152 7.20086 60.8429 -25.256 TIMING: 1152600 CPU: 3340.06, 0.00286688/step Wall: 3340.06, 0.00286688/step, 3.0639 hours remaining, 207.648438 MB of memory in use. ENERGY: 1152600 710.6610 2061.0286 1918.2833 109.7823 -206095.5619 17908.1789 0.0000 0.0000 34212.4551 -149175.1727 298.7859 -183387.6278 -149074.9082 299.2136 13.8558 44.9308 558506.9788 3.7890 3.8485 PRESSURE: 1152800 -165.259 -136.567 -25.5935 -136.568 -86.907 -129.094 -25.5938 -129.095 46.4018 GPRESSURE: 1152800 -142.368 -80.3974 51.3254 -144.568 -52.9111 -156.751 -96.2336 -176.967 92.8746 PRESSAVG: 1152800 -9.44461 56.7565 28.6454 56.7564 -34.8532 85.6441 28.6453 85.6441 45.3497 GPRESSAVG: 1152800 -8.81511 58.2735 29.2481 56.8357 -36.7873 85.0769 29.1074 85.0137 46.3234 TIMING: 1152800 CPU: 3340.64, 0.00288906/step Wall: 3340.64, 0.00288906/step, 3.08744 hours remaining, 207.648438 MB of memory in use. ENERGY: 1152800 767.5197 2059.1183 1937.0448 128.0810 -205684.9173 17651.6169 0.0000 0.0000 34091.7906 -149049.7460 297.7321 -183141.5366 -148954.2234 299.2263 -68.5880 -34.1350 558761.4721 0.3506 0.2403 PRESSURE: 1153000 -273.621 204.615 -107.597 204.616 -217.325 -56.0727 -107.597 -56.0716 -62.2602 GPRESSURE: 1153000 -229.365 68.0331 -79.5719 306.075 -201.75 -3.75895 -65.5347 -172.138 -27.3753 PRESSAVG: 1153000 8.22042 27.2404 7.41345 27.2405 -44.5771 40.7991 7.41342 40.7991 -7.4368 GPRESSAVG: 1153000 7.92426 27.5658 7.2344 27.5616 -43.9264 40.7651 7.02279 40.4771 -7.77645 TIMING: 1153000 CPU: 3341.22, 0.00288596/step Wall: 3341.22, 0.00288596/step, 3.08397 hours remaining, 207.648438 MB of memory in use. ENERGY: 1153000 766.7549 2137.1755 1950.5131 111.9529 -205882.1038 17573.0593 0.0000 0.0000 34355.0583 -148987.5900 300.0313 -183342.6482 -148887.6350 299.4065 -184.4020 -152.8302 558476.3224 -14.5978 -14.5929 PRESSURE: 1153200 178.079 -51.9601 -166.222 -51.9596 -171.246 -46.5677 -166.222 -46.5676 5.11838 GPRESSURE: 1153200 185.15 -61.697 -222.989 -37.3375 -176.36 -67.4965 -171.274 7.54511 97.0842 PRESSAVG: 1153200 -63.7226 10.7539 -61.1487 10.7539 5.18471 0.464687 -61.1485 0.464697 24.6071 GPRESSAVG: 1153200 -64.3239 8.95533 -61.7863 11.3793 4.57329 0.176682 -60.8334 3.1991 25.3116 TIMING: 1153200 CPU: 3341.79, 0.00286276/step Wall: 3341.79, 0.00286276/step, 3.05902 hours remaining, 207.648438 MB of memory in use. ENERGY: 1153200 735.8687 2148.3540 1937.3162 118.5883 -206035.8138 17943.1183 0.0000 0.0000 34115.2476 -149037.3207 297.9369 -183152.5683 -148952.0794 299.0246 3.9837 35.2915 557758.9976 -11.3103 -11.4797 PRESSURE: 1153400 -163.213 -56.8962 51.2224 -56.8965 71.7804 72.4562 51.2224 72.4571 13.6524 GPRESSURE: 1153400 -133.841 10.4651 -47.3078 -146.794 113.677 109.054 22.7249 -31.2846 33.6398 PRESSAVG: 1153400 -24.384 2.69283 -25.7018 2.69286 53.8187 25.8561 -25.7016 25.856 -22.7901 GPRESSAVG: 1153400 -25.0677 6.57805 -25.0699 -1.9275 54.2339 26.2115 -25.6749 25.0298 -22.2556 TIMING: 1153400 CPU: 3342.36, 0.00286134/step Wall: 3342.36, 0.00286134/step, 3.05734 hours remaining, 207.648438 MB of memory in use. ENERGY: 1153400 717.1445 2112.2640 1934.5911 113.0326 -205855.0185 17536.4944 0.0000 0.0000 34291.7723 -149149.7196 299.4786 -183441.4919 -149044.3958 299.3650 -25.9266 4.4918 558227.9431 2.2149 2.3035 PRESSURE: 1153600 245.393 -2.53384 10.4063 -2.53418 155.729 -104.269 10.4071 -104.269 267.997 GPRESSURE: 1153600 244.723 -77.4826 18.963 29.0582 258.657 -104.995 -69.0342 -148.521 258.938 PRESSAVG: 1153600 -28.756 4.12353 27.4394 4.12355 24.1213 13.2542 27.4393 13.2542 -11.9726 GPRESSAVG: 1153600 -27.2401 0.250404 27.2785 7.30385 22.8726 12.0671 26.8997 13.94 -12.0803 TIMING: 1153600 CPU: 3342.93, 0.00285538/step Wall: 3342.93, 0.00285538/step, 3.05081 hours remaining, 207.648438 MB of memory in use. ENERGY: 1153600 698.4512 2063.5568 1959.5956 120.9817 -206349.6758 18102.4704 0.0000 0.0000 34112.1939 -149292.4261 297.9103 -183404.6200 -149189.7925 298.6915 223.0397 254.1062 556950.0883 -5.5358 -5.4826 PRESSURE: 1153800 -127.742 37.2793 -195.077 37.2795 -90.5343 -196.719 -195.076 -196.718 -5.15977 GPRESSURE: 1153800 -106.186 41.6256 -125.329 44.2773 -23.1119 -216.51 -173.929 -211.75 8.96099 PRESSAVG: 1153800 27.1501 6.23128 39.5251 6.23121 64.2051 63.4909 39.5251 63.491 -48.7347 GPRESSAVG: 1153800 26.7405 7.42274 40.1435 6.36064 63.8581 64.2514 40.2119 63.1116 -48.264 TIMING: 1153800 CPU: 3343.51, 0.00287599/step Wall: 3343.51, 0.00287599/step, 3.07268 hours remaining, 207.648438 MB of memory in use. ENERGY: 1153800 732.8162 2081.9279 1932.2733 104.5922 -206229.5621 17652.0744 0.0000 0.0000 34253.8699 -149472.0082 299.1476 -183725.8781 -149371.0058 298.4873 -74.4786 -40.1122 555902.5355 14.2068 14.1116 PRESSURE: 1154000 102.485 34.4059 22.6224 34.406 -251.996 -63.9002 22.6224 -63.8994 -266.103 GPRESSURE: 1154000 163.319 52.1967 -74.7405 56.5796 -211.199 -33.7088 66.469 -101.72 -272.008 PRESSAVG: 1154000 62.2994 -18.6907 -23.4888 -18.6907 -60.5041 -4.17098 -23.4888 -4.17083 -33.7517 GPRESSAVG: 1154000 63.6963 -17.0978 -23.8551 -18.5758 -60.6221 -5.33688 -22.3378 -5.05438 -34.9279 TIMING: 1154000 CPU: 3344.08, 0.00287192/step Wall: 3344.08, 0.00287192/step, 3.06816 hours remaining, 207.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1154000 802.9590 2102.4584 1920.3635 120.0748 -206383.3110 17889.6338 0.0000 0.0000 34195.1869 -149352.6346 298.6351 -183547.8215 -149256.4780 299.1103 -138.5382 -106.6289 557273.8827 -10.6521 -10.6179 PRESSURE: 1154200 -342.722 52.0409 -60.1147 52.0406 -243.484 6.03426 -60.1147 6.03337 -232.844 GPRESSURE: 1154200 -285.174 16.033 -130.283 42.205 -212.677 42.0451 -16.1944 11.3529 -217.397 PRESSAVG: 1154200 55.5452 -35.7942 -18.3997 -35.7941 49.6262 18.8664 -18.3998 18.8664 -82.6679 GPRESSAVG: 1154200 53.5999 -38.3767 -17.6944 -35.0959 51.1805 19.1628 -19.1693 17.9636 -82.0648 TIMING: 1154200 CPU: 3344.66, 0.00288536/step Wall: 3344.66, 0.00288536/step, 3.08237 hours remaining, 207.648438 MB of memory in use. ENERGY: 1154200 810.7309 2115.5744 1904.1009 106.0634 -205845.6075 17483.8920 0.0000 0.0000 34062.6370 -149362.6088 297.4775 -183425.2459 -149264.9386 298.8864 -273.0169 -238.4160 557637.2951 7.5012 7.5719 PRESSURE: 1154400 -127.573 21.7335 -19.8626 21.7329 -217.851 13.9971 -19.8637 13.9966 -57.0715 GPRESSURE: 1154400 -81.7458 -17.3151 54.2651 68.5963 -162.735 60.543 -56.8065 -66.4963 -62.156 PRESSAVG: 1154400 -11.6244 37.1239 -49.9919 37.1238 6.22497 -0.685388 -49.992 -0.68546 -9.89569 GPRESSAVG: 1154400 -10.9045 38.183 -52.1342 35.8544 6.30001 -1.18618 -49.0516 1.33172 -11.2282 TIMING: 1154400 CPU: 3345.23, 0.00286965/step Wall: 3345.23, 0.00286965/step, 3.06542 hours remaining, 207.648438 MB of memory in use. ENERGY: 1154400 762.0179 2049.6006 1937.0920 114.5229 -206005.3402 17736.0568 0.0000 0.0000 34032.1322 -149373.9177 297.2111 -183406.0499 -149278.5347 298.7985 -134.1652 -102.2121 559014.3756 -5.0984 -5.2776 PRESSURE: 1154600 -1.35543 66.4869 107.594 66.4867 38.8922 -52.9401 107.593 -52.9411 -15.4949 GPRESSURE: 1154600 -21.7135 105.202 79.2036 34.9742 90.9759 -93.2169 45.6698 118.729 37.7499 PRESSAVG: 1154600 -44.1001 -15.5096 6.98472 -15.5097 1.49754 72.8079 6.98463 72.8079 4.91239 GPRESSAVG: 1154600 -44.7193 -15.2895 8.70994 -14.2256 0.438201 73.1754 6.75811 72.0253 5.54029 TIMING: 1154600 CPU: 3345.81, 0.00287454/step Wall: 3345.81, 0.00287454/step, 3.07049 hours remaining, 207.769531 MB of memory in use. ENERGY: 1154600 726.2388 2090.5922 1955.1478 118.1137 -206350.5266 17833.9212 0.0000 0.0000 34211.6069 -149414.9059 298.7785 -183626.5128 -149322.9789 298.4358 7.3473 35.6708 556824.7626 -12.5634 -12.9136 PRESSURE: 1154800 -159.103 27.4622 13.6835 27.4623 133.965 103.176 13.6818 103.176 27.0731 GPRESSURE: 1154800 -53.8134 -12.1756 22.6835 69.1831 120.907 113.814 91.9506 108.586 31.9837 PRESSAVG: 1154800 -26.1857 -36.6925 -9.1942 -36.6925 21.9325 4.73846 -9.19423 4.73857 -36.2653 GPRESSAVG: 1154800 -24.9894 -36.4132 -9.08506 -39.0936 21.539 6.11221 -10.4861 2.76122 -36.6227 TIMING: 1154800 CPU: 3346.39, 0.00288714/step Wall: 3346.39, 0.00288714/step, 3.08378 hours remaining, 207.769531 MB of memory in use. ENERGY: 1154800 789.6024 2040.3816 1938.5407 98.9320 -206388.0573 17969.2941 0.0000 0.0000 34003.0486 -149548.2578 296.9571 -183551.3065 -149449.0614 298.4180 0.6449 33.0259 557619.3028 -13.5062 -13.3577 PRESSURE: 1155000 -157.98 -57.2498 -29.124 -57.2484 7.34643 25.4477 -29.124 25.4467 117.036 GPRESSURE: 1155000 -115.192 -5.69219 -69.386 -125.509 41.2793 4.77029 -31.4484 78.6511 135.097 PRESSAVG: 1155000 -1.15107 80.9972 22.3943 80.9972 -21.4025 35.2645 22.3943 35.2645 1.32359 GPRESSAVG: 1155000 -1.57143 80.9568 21.6478 82.5247 -21.7619 32.534 22.2177 39.1947 2.30371 TIMING: 1155000 CPU: 3346.97, 0.00289503/step Wall: 3346.97, 0.00289503/step, 3.09206 hours remaining, 207.769531 MB of memory in use. ENERGY: 1155000 720.0056 2090.5722 1941.5177 117.4722 -206539.1492 17873.9613 0.0000 0.0000 34128.1983 -149667.4219 298.0500 -183795.6202 -149574.6584 298.4926 -11.1990 20.3950 557928.8335 -7.0767 -7.0099 PRESSURE: 1155200 127.744 70.1283 -199.609 70.1289 106.81 -113.57 -199.609 -113.571 -275.195 GPRESSURE: 1155200 189.811 71.7212 -62.8783 86.1061 96.0559 -85.2129 -148.54 -160.646 -236.734 PRESSAVG: 1155200 6.89949 43.2206 24.8301 43.2207 51.7872 63.0252 24.83 63.0253 13.2109 GPRESSAVG: 1155200 6.53862 43.542 25.1337 41.0564 53.0559 64.1425 24.1679 61.3803 12.225 TIMING: 1155200 CPU: 3347.55, 0.00290392/step Wall: 3347.55, 0.00290392/step, 3.10139 hours remaining, 207.769531 MB of memory in use. ENERGY: 1155200 740.7963 2115.0056 1918.6189 111.4567 -206487.1232 17819.1133 0.0000 0.0000 34068.7727 -149713.3596 297.5311 -183782.1323 -149611.3897 298.0094 -13.5471 16.3776 557790.4140 23.9659 23.9398 PRESSURE: 1155400 -135.694 162.435 -41.9329 162.435 57.4833 -75.7442 -41.9324 -75.7445 86.6441 GPRESSURE: 1155400 -74.8159 191.884 -6.26834 153.065 72.5328 -66.055 -71.1874 -85.5832 97.5158 PRESSAVG: 1155400 -44.1889 -22.2747 29.9209 -22.2748 1.21532 -56.3606 29.9209 -56.3605 -11.7367 GPRESSAVG: 1155400 -45.3947 -22.0513 31.0755 -21.8857 0.744748 -54.5296 29.8817 -56.6411 -11.0914 TIMING: 1155400 CPU: 3348.14, 0.00295155/step Wall: 3348.14, 0.00295155/step, 3.15209 hours remaining, 207.769531 MB of memory in use. ENERGY: 1155400 745.6342 2050.4546 1939.0176 111.6674 -206426.6178 17834.0421 0.0000 0.0000 33956.4250 -149789.3768 296.5499 -183745.8018 -149694.7595 297.5091 2.8110 31.7442 558224.9069 -18.2368 -18.5804 PRESSURE: 1155600 -93.3929 168.498 187.498 168.497 -19.1638 35.4563 187.497 35.4567 -9.79705 GPRESSURE: 1155600 -58.2624 68.609 205.477 222.698 -24.3857 60.9763 162.652 115.824 49.8007 PRESSAVG: 1155600 23.573 -11.9937 24.6536 -11.9937 -27.3514 -71.5741 24.6536 -71.5742 -3.32748 GPRESSAVG: 1155600 23.1965 -12.3001 25.6853 -11.3771 -27.1058 -71.7641 25.8946 -72.0263 -3.31007 TIMING: 1155600 CPU: 3348.72, 0.00293031/step Wall: 3348.72, 0.00293031/step, 3.12924 hours remaining, 207.769531 MB of memory in use. ENERGY: 1155600 762.3357 2123.1922 1926.9201 100.5496 -206607.7877 17837.4297 0.0000 0.0000 34231.5170 -149625.8434 298.9524 -183857.3604 -149531.5779 297.5062 -40.7846 -10.9492 556916.2252 -2.3686 -2.4065 PRESSURE: 1155800 75.7392 -53.7322 -43.0198 -53.7328 202.671 92.996 -43.0196 92.9966 -53.368 GPRESSURE: 1155800 92.9974 -74.3646 13.1965 -5.76067 230.366 34.1547 24.6199 155.622 5.68358 PRESSAVG: 1155800 -8.7009 66.5489 -12.994 66.549 -19.6963 -18.6506 -12.994 -18.6506 73.0973 GPRESSAVG: 1155800 -7.60276 66.0211 -14.1742 68.4175 -20.8284 -19.9953 -13.3811 -17.0901 73.179 TIMING: 1155800 CPU: 3349.31, 0.00291345/step Wall: 3349.31, 0.00291345/step, 3.11108 hours remaining, 207.769531 MB of memory in use. ENERGY: 1155800 749.7849 2044.8101 1926.7626 103.9478 -206566.1735 18086.4319 0.0000 0.0000 34068.2385 -149586.1977 297.5264 -183654.4362 -149493.4086 298.3749 75.0141 109.6822 556961.6078 14.9000 14.9159 PRESSURE: 1156000 -105.478 -41.6099 -7.12492 -41.6098 173.095 -103.84 -7.12445 -103.841 -92.8775 GPRESSURE: 1156000 -65.9296 -180.441 -22.6512 93.9047 195.678 -89.7129 -19.4948 -118.068 -55.276 PRESSAVG: 1156000 -52.6888 22.0394 -32.0949 22.0393 58.4968 5.9791 -32.0948 5.9791 -10.2776 GPRESSAVG: 1156000 -53.6342 20.8951 -31.7338 23.1411 59.0239 6.30952 -33.22 4.44636 -10.2481 TIMING: 1156000 CPU: 3349.89, 0.00291979/step Wall: 3349.89, 0.00291979/step, 3.11769 hours remaining, 207.769531 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: 1156000 729.2354 2109.3108 1932.3184 116.3879 -206504.0588 17858.0338 0.0000 0.0000 34344.6311 -149414.1413 299.9402 -183758.7724 -149323.9591 298.8293 -8.4204 24.8240 555794.4173 -1.4899 -1.6195 PRESSURE: 1156200 -237.376 -5.18182 90.0953 -5.18155 -69.906 -10.8133 90.0956 -10.812 -8.33074 GPRESSURE: 1156200 -244.245 -11.083 81.5121 -2.04434 -61.5235 98.4495 156.262 -29.0138 81.867 PRESSAVG: 1156200 -31.0103 25.0869 -39.1726 25.087 78.75 -27.6685 -39.1727 -27.6685 -27.4584 GPRESSAVG: 1156200 -32.1402 25.4863 -38.5229 23.3542 79.9895 -26.8766 -38.1111 -28.3336 -28.0681 TIMING: 1156200 CPU: 3350.47, 0.00291229/step Wall: 3350.47, 0.00291229/step, 3.10952 hours remaining, 207.769531 MB of memory in use. ENERGY: 1156200 765.0322 2115.4739 1910.7900 101.8406 -205611.4169 17456.1038 0.0000 0.0000 33888.4586 -149373.7178 295.9563 -183262.1764 -149281.3402 299.0413 -105.2044 -74.6337 556922.0146 6.7604 6.5937 LDB: ============= START OF LOAD BALANCING ============== 3353.86 LDB: ============== END OF LOAD BALANCING =============== 3353.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3353.86 LDB: ============= START OF LOAD BALANCING ============== 3354.15 LDB: Largest compute 4792 load 0.023040 is 19.5% of average load 0.118115 LDB: Average compute 0.001700 is 1.4% of average load 0.118115 LDB: TIME 3354.15 LOAD: AVG 0.118115 MAX 0.184128 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.246 MB LDB: TIME 3354.15 LOAD: AVG 0.118115 MAX 0.184128 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.289 MB LDB: TIME 3354.15 LOAD: AVG 0.118115 MAX 0.184128 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3354.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3354.16 PRESSURE: 1156400 -59.0711 -31.5329 -126.185 -31.534 -10.0442 -59.0859 -126.186 -59.0849 -133.928 GPRESSURE: 1156400 -56.4184 -71.3531 -174.094 -59.194 47.9353 6.99965 4.7121 -123.884 -104.235 PRESSAVG: 1156400 -40.6724 -9.07516 -11.2516 -9.07522 -16.9346 -31.2193 -11.2516 -31.2193 42.3449 GPRESSAVG: 1156400 -41.2309 -7.72274 -12.7161 -8.19755 -17.372 -30.5708 -9.8537 -30.3875 42.7243 TIMING: 1156400 CPU: 3351.06, 0.00295912/step Wall: 3351.06, 0.00295912/step, 3.15935 hours remaining, 207.285156 MB of memory in use. ENERGY: 1156400 753.9809 2088.8779 1931.5573 119.8321 -205993.6364 17691.7387 0.0000 0.0000 34055.3606 -149352.2889 297.4139 -183407.6495 -149259.8010 298.9396 -67.6812 -37.5726 557248.9077 -5.0874 -5.2929 PRESSURE: 1156600 -51.9 -168.91 -78.8456 -168.91 -10.7362 -5.38152 -78.8457 -5.37959 107.716 GPRESSURE: 1156600 -46.9867 -205.418 -139.55 -105.981 -3.18237 -62.4159 -37.2244 -34.1274 186.976 PRESSAVG: 1156600 -68.4464 -26.5639 -19.8641 -26.5639 1.00777 4.80412 -19.8641 4.80403 72.4103 GPRESSAVG: 1156600 -67.7488 -28.0753 -18.4835 -28.5559 1.02699 3.08152 -23.2013 5.21787 71.6454 TIMING: 1156600 CPU: 3351.64, 0.0028923/step Wall: 3351.64, 0.0028923/step, 3.08785 hours remaining, 207.542969 MB of memory in use. ENERGY: 1156600 751.5714 2119.6093 1915.3097 123.0176 -206198.1666 17822.2814 0.0000 0.0000 34088.4419 -149377.9353 297.7028 -183466.3772 -149283.8920 298.7944 15.0268 45.6023 557449.7585 1.6572 1.6412 PRESSURE: 1156800 -193.25 -110.182 325.386 -110.183 137.987 -8.15012 325.384 -8.15126 108.128 GPRESSURE: 1156800 -131.069 -163.293 234.526 -101.76 121.815 63.5033 335.794 10.9895 156.469 PRESSAVG: 1156800 -10.5356 9.71287 8.62408 9.71287 -20.4606 38.3559 8.62412 38.3559 44.5903 GPRESSAVG: 1156800 -10.1645 10.8198 6.89825 9.37192 -21.9537 40.7656 9.79142 37.155 45.4481 TIMING: 1156800 CPU: 3352.23, 0.00292157/step Wall: 3352.23, 0.00292157/step, 3.11894 hours remaining, 207.542969 MB of memory in use. ENERGY: 1156800 760.2174 2104.5298 1950.7418 106.6633 -206237.0062 17769.8952 0.0000 0.0000 34286.5739 -149258.3849 299.4332 -183544.9588 -149162.2428 299.1848 17.6216 49.0718 556657.7689 4.5313 4.4433 PRESSURE: 1157000 165.2 12.5917 169.642 12.5924 208.677 9.67429 169.641 9.67561 -117.425 GPRESSURE: 1157000 202.231 -86.1517 73.5132 81.8298 295.67 -60.8991 259.927 14.2589 -144.507 PRESSAVG: 1157000 64.7743 -37.1794 45.2276 -37.1792 37.1962 -27.8854 45.2276 -27.8852 -121.237 GPRESSAVG: 1157000 63.3346 -38.7169 45.4435 -34.1327 38.5988 -29.0177 45.1824 -25.4506 -121.302 TIMING: 1157000 CPU: 3352.8, 0.00288495/step Wall: 3352.8, 0.00288495/step, 3.07969 hours remaining, 207.542969 MB of memory in use. ENERGY: 1157000 786.0301 2107.4780 1944.5627 115.2119 -206496.9906 18085.8337 0.0000 0.0000 34080.5873 -149377.2869 297.6342 -183457.8742 -149275.4185 298.5247 85.4841 117.7982 556680.8191 -6.4222 -6.4561 PRESSURE: 1157200 153.62 225.063 -128.579 225.063 -64.6993 -148.999 -128.58 -149 -96.5674 GPRESSURE: 1157200 172.211 278.928 -140.862 171.613 -42.3956 -108.124 -81.9001 -243.933 -37.7221 PRESSAVG: 1157200 12.4101 13.6757 -34.4138 13.6757 58.3852 2.18727 -34.4139 2.18725 -15.4957 GPRESSAVG: 1157200 15.9177 15.5549 -32.7527 10.4674 57.2136 1.78257 -36.6079 -0.0467837 -17.3309 TIMING: 1157200 CPU: 3353.38, 0.00290221/step Wall: 3353.38, 0.00290221/step, 3.09794 hours remaining, 207.542969 MB of memory in use. ENERGY: 1157200 768.0170 2108.3501 1970.5555 118.8691 -206458.5973 18071.7837 0.0000 0.0000 34179.6930 -149241.3289 298.4998 -183421.0219 -149147.9215 298.6875 -2.5490 30.6977 557960.5862 18.4332 18.6002 PRESSURE: 1157400 44.6166 -16.2147 -38.3465 -16.2143 -110.322 63.1928 -38.3468 63.1926 -203.589 GPRESSURE: 1157400 73.7503 -47.0675 -82.7714 73.0778 -50.5416 -38.6882 -104.581 143.086 -209.462 PRESSAVG: 1157400 -6.50971 32.8312 -10.5892 32.8313 -1.80665 -11.0599 -10.5892 -11.0599 11.8807 GPRESSAVG: 1157400 -9.21369 32.0896 -12.8776 34.9706 -0.0198795 -9.7579 -7.19514 -9.03241 12.4314 TIMING: 1157400 CPU: 3353.97, 0.00291095/step Wall: 3353.97, 0.00291095/step, 3.10712 hours remaining, 207.542969 MB of memory in use. ENERGY: 1157400 739.2531 2157.7198 1928.8539 124.7180 -206059.1055 17619.5778 0.0000 0.0000 34217.7832 -149271.1996 298.8324 -183488.9828 -149179.1496 299.4223 -89.7646 -62.0846 557781.6186 1.1881 1.0659 PRESSURE: 1157600 -137.593 -105.488 17.7857 -105.487 -239.175 125.06 17.7853 125.06 -149.351 GPRESSURE: 1157600 -118.236 -147.769 31.7644 -142.223 -150.573 170.563 28.4987 37.1768 -152.713 PRESSAVG: 1157600 -8.02034 -41.8093 38.3314 -41.8093 1.98309 14.8455 38.3315 14.8455 -13.187 GPRESSAVG: 1157600 -8.57807 -43.0385 38.3398 -43.2726 2.88076 14.8585 37.9123 12.1222 -13.1359 TIMING: 1157600 CPU: 3354.55, 0.00292193/step Wall: 3354.55, 0.00292193/step, 3.11867 hours remaining, 207.542969 MB of memory in use. ENERGY: 1157600 744.1928 2161.7056 1899.3831 113.1344 -206178.4135 17587.0406 0.0000 0.0000 34438.9533 -149234.0037 300.7639 -183672.9571 -149139.7374 299.1746 -175.3730 -140.5074 557389.2264 -6.4081 -6.2777 PRESSURE: 1157800 -105.751 -147.71 -125.801 -147.709 -120.002 -14.8077 -125.801 -14.8068 -63.4783 GPRESSURE: 1157800 -33.8449 -134.302 -117.912 -95.8944 -96.9762 -113 -134.619 -45.2147 -55.3136 PRESSAVG: 1157800 -23.5204 -6.09786 -13.0757 -6.09787 54.8734 37.2428 -13.0757 37.2428 -21.7494 GPRESSAVG: 1157800 -22.7644 -4.47875 -11.9536 -4.28751 54.6751 34.4656 -13.9726 40.0439 -22.4519 TIMING: 1157800 CPU: 3355.13, 0.00289522/step Wall: 3355.13, 0.00289521/step, 3.09 hours remaining, 207.605469 MB of memory in use. ENERGY: 1157800 749.2703 2100.7610 1917.0780 104.0434 -206217.2152 17879.5115 0.0000 0.0000 34161.9852 -149304.5658 298.3451 -183466.5510 -149212.0615 299.2924 -96.4104 -62.0449 559412.9767 3.2012 3.1529 PRESSURE: 1158000 -71.5841 -5.31383 16.6492 -5.3157 497.974 -1.94039 16.649 -1.93865 -13.0428 GPRESSURE: 1158000 -35.7631 13.5371 -18.1141 -4.05689 505.729 -43.4535 -3.81531 25.7615 47.6757 PRESSAVG: 1158000 -12.5063 -16.6648 46.9157 -16.6648 10.569 8.52758 46.9157 8.52762 -18.0137 GPRESSAVG: 1158000 -10.919 -14.7896 47.7856 -18.7717 7.37485 9.13397 45.1531 8.09546 -16.6938 TIMING: 1158000 CPU: 3355.71, 0.00289357/step Wall: 3355.71, 0.00289357/step, 3.08808 hours remaining, 207.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1158000 707.7317 2057.9975 1930.0779 119.4973 -206630.8465 18093.9855 0.0000 0.0000 34408.9488 -149312.6077 300.5019 -183721.5565 -149226.1494 298.4229 137.7822 172.5471 557519.7584 -6.6503 -6.7460 PRESSURE: 1158200 28.4773 15.6415 -20.1957 15.6415 27.6686 42.1967 -20.1954 42.1968 -110.969 GPRESSURE: 1158200 56.297 114.105 -83.5334 -25.0395 97.2463 41.2743 90.2654 101.87 -111.015 PRESSAVG: 1158200 -31.8365 10.1291 29.8424 10.129 40.5518 6.90986 29.8424 6.90986 -19.0647 GPRESSAVG: 1158200 -31.3341 9.25498 30.1166 10.1308 41.3604 8.73399 30.0966 6.05062 -20.2936 TIMING: 1158200 CPU: 3356.29, 0.00289002/step Wall: 3356.29, 0.00289002/step, 3.08413 hours remaining, 207.605469 MB of memory in use. ENERGY: 1158200 774.9358 2092.5598 1915.5414 114.2850 -206383.4410 17867.4763 0.0000 0.0000 34308.5165 -149310.1262 299.6248 -183618.6427 -149217.8212 299.3291 -18.2743 14.1762 558776.6906 -3.4498 -3.4224 PRESSURE: 1158400 134.006 58.6304 -50.4357 58.6291 23.0756 -189.037 -50.4382 -189.038 -169.17 GPRESSURE: 1158400 115.292 6.22365 -127.443 110.144 47.1397 -178.262 -50.4267 -203.133 -87.018 PRESSAVG: 1158400 -22.0371 22.9301 -20.3434 22.9301 -17.7406 -42.6738 -20.3434 -42.6738 40.907 GPRESSAVG: 1158400 -22.6557 21.944 -19.9187 23.851 -18.432 -42.8647 -19.5737 -42.639 42.2153 TIMING: 1158400 CPU: 3356.86, 0.00288106/step Wall: 3356.86, 0.00288106/step, 3.07441 hours remaining, 207.808594 MB of memory in use. ENERGY: 1158400 789.9202 2061.9594 1938.2019 110.1766 -206482.7225 18028.5158 0.0000 0.0000 34225.7419 -149328.2068 298.9019 -183553.9487 -149225.3684 299.2217 -4.0296 25.1380 558765.2202 0.3764 0.3758 PRESSURE: 1158600 -293.025 -89.19 70.9338 -89.1892 -319.324 -143.533 70.9331 -143.532 39.4702 GPRESSURE: 1158600 -254.111 -69.7801 49.2303 -148.648 -295.726 -18.2303 214.668 -127.072 66.9369 PRESSAVG: 1158600 -34.8844 1.41191 -26.9825 1.41195 -16.8091 13.9214 -26.9825 13.9214 -21.0907 GPRESSAVG: 1158600 -35.2973 0.431622 -28.7601 2.76998 -16.0004 13.3829 -25.6058 12.9856 -21.6368 TIMING: 1158600 CPU: 3357.44, 0.00290452/step Wall: 3357.44, 0.00290452/step, 3.09929 hours remaining, 207.808594 MB of memory in use. ENERGY: 1158600 780.3380 2111.9297 1936.3848 116.4165 -206066.7219 17719.3061 0.0000 0.0000 34102.4310 -149299.9159 297.8250 -183402.3469 -149215.0333 298.6509 -190.9597 -160.9666 559475.4349 -24.2614 -24.3115 PRESSURE: 1158800 51.3091 255.338 32.2354 255.338 15.613 -44.1076 32.2365 -44.1085 1.67807 GPRESSURE: 1158800 64.8125 268.16 -15.611 174.597 42.3612 -134.189 -10.4332 27.0647 68.7448 PRESSAVG: 1158800 -20.4376 46.0902 -12.2886 46.0902 25.0872 -31.9076 -12.2885 -31.9076 5.42789 GPRESSAVG: 1158800 -18.7057 47.8977 -11.2685 45.456 24.5269 -31.3597 -16.4021 -32.2004 3.8964 TIMING: 1158800 CPU: 3358.02, 0.00290281/step Wall: 3358.02, 0.00290281/step, 3.09729 hours remaining, 207.808594 MB of memory in use. ENERGY: 1158800 732.6609 2115.6021 1906.6386 112.8359 -206032.2255 17749.5707 0.0000 0.0000 34241.7047 -149173.2125 299.0413 -183414.9172 -149078.5178 298.9133 22.8667 58.6395 558121.1686 3.3591 3.2392 PRESSURE: 1159000 -87.419 -80.5635 -119.808 -80.5633 251.32 15.5809 -119.807 15.5805 -212.636 GPRESSURE: 1159000 6.37695 -77.6682 -114.757 -77.5834 200.557 49.034 -83.3545 -64.7043 -167.591 PRESSAVG: 1159000 -54.4452 39.0744 -55.4671 39.0744 92.5488 -54.5149 -55.4671 -54.5149 -38.3825 GPRESSAVG: 1159000 -56.1412 39.3831 -54.7237 38.7734 93.358 -54.7146 -53.2398 -54.2413 -36.9314 TIMING: 1159000 CPU: 3358.61, 0.00290348/step Wall: 3358.61, 0.00290348/step, 3.09785 hours remaining, 207.808594 MB of memory in use. ENERGY: 1159000 772.9077 2054.8448 1912.2020 107.1127 -205929.1931 17693.8284 0.0000 0.0000 34324.9975 -149063.3000 299.7687 -183388.2974 -148961.4253 299.2766 -16.2451 13.1142 557354.3492 -0.0929 0.0951 PRESSURE: 1159200 91.3896 -2.35578 -122.849 -2.35577 118.098 -22.9474 -122.849 -22.9469 139.092 GPRESSURE: 1159200 147.653 -38.1965 -66.3428 -2.23444 190.207 -17.8515 -117.862 57.3121 116.997 PRESSAVG: 1159200 1.68866 -1.47483 -47.8011 -1.47474 88.4416 -25.9796 -47.801 -25.9795 -98.3987 GPRESSAVG: 1159200 2.23675 -2.21967 -49.1484 -0.296467 88.9338 -26.4402 -47.2242 -23.6868 -99.1618 TIMING: 1159200 CPU: 3359.18, 0.00288613/step Wall: 3359.18, 0.00288613/step, 3.07918 hours remaining, 207.808594 MB of memory in use. ENERGY: 1159200 753.5079 2103.3877 1925.2126 103.9309 -206363.7874 17923.5099 0.0000 0.0000 34438.2743 -149115.9641 300.7580 -183554.2385 -149018.2275 299.7180 116.1933 151.6190 556440.8222 -2.7561 -2.6638 PRESSURE: 1159400 -159.399 -69.8852 157.274 -69.8854 -230.923 68.4468 157.274 68.4472 -308.253 GPRESSURE: 1159400 -162.172 -25.0561 130.209 -70.6419 -139.412 29.8557 177.21 77.592 -302.273 PRESSAVG: 1159400 -13.8946 24.3913 -49.2887 24.3912 43.2791 -18.5401 -49.2887 -18.54 -8.31196 GPRESSAVG: 1159400 -15.3464 23.0261 -50.545 25.4662 44.3987 -17.96 -49.1664 -19.0729 -8.21192 TIMING: 1159400 CPU: 3359.76, 0.002874/step Wall: 3359.76, 0.002874/step, 3.06608 hours remaining, 207.808594 MB of memory in use. ENERGY: 1159400 768.9651 2055.1530 1939.1112 109.2726 -205790.9109 17477.0559 0.0000 0.0000 34219.2508 -149222.1022 298.8452 -183441.3530 -149130.2299 299.4278 -232.8584 -201.2856 558427.7213 7.0242 6.9468 PRESSURE: 1159600 -13.6665 214.203 -191.403 214.203 116.318 79.7208 -191.402 79.7206 69.6484 GPRESSURE: 1159600 37.5075 233.032 -95.4819 200.956 141.386 51.466 -331.64 145.388 91.2427 PRESSAVG: 1159600 -47.265 27.392 7.84216 27.3921 99.2376 -4.79147 7.84211 -4.7913 -28.7941 GPRESSAVG: 1159600 -45.7637 29.0481 10.3471 26.4587 97.1625 -5.41315 6.41887 -3.81682 -28.6305 TIMING: 1159600 CPU: 3360.33, 0.00287678/step Wall: 3360.33, 0.00287677/step, 3.06888 hours remaining, 207.808594 MB of memory in use. ENERGY: 1159600 771.1647 2064.8527 1924.5508 127.0778 -206633.5916 17952.3506 0.0000 0.0000 34333.6360 -149459.9590 299.8442 -183793.5950 -149363.3800 299.2473 57.4331 90.0454 556821.3396 7.7262 7.5894 PRESSURE: 1159800 -367.133 72.3561 -68.4152 72.3546 -168.093 76.3329 -68.4141 76.3334 -339.217 GPRESSURE: 1159800 -345.228 67.0473 -106.329 34.1117 -128.974 74.8733 -13.5677 81.1699 -309.373 PRESSAVG: 1159800 -42.2936 32.1856 -15.1276 32.1855 23.125 -16.379 -15.1277 -16.379 -0.64629 GPRESSAVG: 1159800 -42.1516 29.1168 -17.6171 33.0153 22.7826 -16.9565 -14.2272 -18.221 -0.0804416 TIMING: 1159800 CPU: 3360.91, 0.00286794/step Wall: 3360.91, 0.00286794/step, 3.0593 hours remaining, 207.808594 MB of memory in use. ENERGY: 1159800 720.5748 2109.8184 1924.9173 119.2596 -206345.8128 17579.0821 0.0000 0.0000 34377.6159 -149514.5447 300.2283 -183892.1606 -149420.1492 298.8278 -291.4809 -261.1919 558819.3423 -6.6050 -6.4831 PRESSURE: 1160000 97.3766 -129.416 33.0408 -129.417 -44.3645 23.5259 33.0425 23.5266 177.872 GPRESSURE: 1160000 168.908 -123.955 70.8414 -100.179 15.9784 22.2577 14.1686 84.8048 125.858 PRESSAVG: 1160000 35.2769 3.84006 -15.0574 3.84008 -18.3801 13.2082 -15.0575 13.2082 23.4489 GPRESSAVG: 1160000 35.0364 5.15092 -13.8768 3.44242 -18.0479 15.4224 -15.0939 12.0458 23.1324 TIMING: 1160000 CPU: 3361.48, 0.00288991/step Wall: 3361.48, 0.00288991/step, 3.08257 hours remaining, 207.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1160000 758.7781 2118.5163 1892.8973 115.2035 -206498.0286 17931.0616 0.0000 0.0000 34150.2281 -149531.3437 298.2424 -183681.5718 -149437.2770 298.3573 76.9615 103.5814 557706.4872 13.4486 13.3736 PRESSURE: 1160200 4.70981 108.539 -67.8177 108.539 -71.2722 38.5181 -67.8168 38.518 -101.605 GPRESSURE: 1160200 38.9914 50.8918 -34.9727 121.523 -73.4844 36.2517 -21.2715 3.43091 -38.9707 PRESSAVG: 1160200 74.4877 37.9675 -17.6944 37.9674 8.76255 5.55716 -17.6944 5.55722 -23.5267 GPRESSAVG: 1160200 74.5278 37.8243 -20.1103 37.132 7.92382 4.57321 -14.3343 6.38244 -23.0715 TIMING: 1160200 CPU: 3362.06, 0.00287596/step Wall: 3362.06, 0.00287596/step, 3.06753 hours remaining, 207.808594 MB of memory in use. ENERGY: 1160200 766.1870 2073.7024 1952.4518 117.4094 -206563.5676 17902.3200 0.0000 0.0000 34307.2269 -149444.2701 299.6135 -183751.4970 -149343.1643 299.2168 -56.0558 -24.4879 557960.0459 19.9079 19.7934 LDB: ============= START OF LOAD BALANCING ============== 3365.44 LDB: ============== END OF LOAD BALANCING =============== 3365.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3365.45 LDB: ============= START OF LOAD BALANCING ============== 3365.73 LDB: Largest compute 4792 load 0.023321 is 19.8% of average load 0.118070 LDB: Average compute 0.001694 is 1.4% of average load 0.118070 LDB: TIME 3365.74 LOAD: AVG 0.11807 MAX 0.182985 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 3365.74 LOAD: AVG 0.11807 MAX 0.182985 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: TIME 3365.74 LOAD: AVG 0.11807 MAX 0.182985 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3365.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3365.74 PRESSURE: 1160400 21.0903 64.8857 -68.3334 64.8847 16.4394 124.279 -68.3321 124.279 78.8732 GPRESSURE: 1160400 52.288 8.06265 -17.5202 143.076 10.0701 59.4025 -85.3729 27.4139 150.546 PRESSAVG: 1160400 -23.5217 15.1473 -34.1953 15.1473 1.01482 -4.3329 -34.1953 -4.33279 37.8784 GPRESSAVG: 1160400 -24.6053 14.2429 -32.3832 14.832 1.45343 -4.65116 -36.4412 -4.01567 38.344 TIMING: 1160400 CPU: 3362.65, 0.00294003/step Wall: 3362.65, 0.00294003/step, 3.1357 hours remaining, 209.078125 MB of memory in use. ENERGY: 1160400 725.3090 2103.3381 1943.8259 126.6473 -206591.6647 18080.0838 0.0000 0.0000 34279.1955 -149333.2652 299.3687 -183612.4607 -149239.8816 298.7669 38.8010 70.9679 558921.8233 5.1238 5.0641 PRESSURE: 1160600 42.9015 55.7831 -165.801 55.7839 11.58 -2.38694 -165.801 -2.38713 -106.513 GPRESSURE: 1160600 16.9537 32.8997 -139.717 96.4875 55.7899 -30.1345 -172.521 -27.0133 -21.0584 PRESSAVG: 1160600 -24.6317 13.2236 -42.2651 13.2235 -30.9494 3.79601 -42.265 3.79593 36.0743 GPRESSAVG: 1160600 -24.8333 14.4186 -43.3858 14.9357 -30.4978 2.47666 -43.9553 4.40936 35.6229 TIMING: 1160600 CPU: 3363.23, 0.0029068/step Wall: 3363.23, 0.0029068/step, 3.1001 hours remaining, 209.265625 MB of memory in use. ENERGY: 1160600 769.7289 2129.6585 1935.9904 103.0772 -206465.2147 17920.1515 0.0000 0.0000 34309.9855 -149296.6226 299.6376 -183606.6081 -149201.5675 299.1494 -17.3439 17.2284 558535.3518 -6.5023 -6.5694 PRESSURE: 1160800 -76.042 -59.4521 106.586 -59.4503 147.344 -48.9006 106.586 -48.8993 -135.832 GPRESSURE: 1160800 -50.4074 -130.716 209.481 -23.85 169.147 -66.3436 63.1273 12.5005 -79.0977 PRESSAVG: 1160800 -21.3314 6.75765 20.5032 6.75775 1.23041 29.2181 20.5033 29.2181 4.44964 GPRESSAVG: 1160800 -20.5152 8.57267 21.0561 5.10131 0.0219503 30.0321 21.819 28.5394 4.94644 TIMING: 1160800 CPU: 3363.81, 0.00289412/step Wall: 3363.81, 0.00289412/step, 3.08641 hours remaining, 209.265625 MB of memory in use. ENERGY: 1160800 788.6532 2114.1148 1972.5117 112.9382 -206837.0843 18106.8584 0.0000 0.0000 34345.7404 -149396.2678 299.9499 -183742.0082 -149300.4015 298.6946 -21.5100 13.2139 557705.0768 -5.2171 -5.1823 PRESSURE: 1161000 -40.1572 149.805 89.955 149.805 -29.5226 22.6042 89.9543 22.6041 -143.745 GPRESSURE: 1161000 -3.21395 104.208 110.688 166.366 -32.5794 73.7374 57.065 -19.1607 -80.7446 PRESSAVG: 1161000 -8.89983 40.1944 23.7768 40.1944 -12.2997 -17.8978 23.7768 -17.8977 15.7777 GPRESSAVG: 1161000 -9.83732 37.4125 25.2023 40.9378 -12.4624 -17.8116 23.6164 -15.0407 16.0862 TIMING: 1161000 CPU: 3364.39, 0.00290071/step Wall: 3364.39, 0.00290071/step, 3.09328 hours remaining, 209.265625 MB of memory in use. ENERGY: 1161000 788.6143 2144.2143 1980.2879 99.9885 -206506.9525 17917.5319 0.0000 0.0000 34191.8734 -149384.4421 298.6061 -183576.3155 -149290.0970 298.7388 -71.1415 -38.8460 557887.8032 -1.8073 -2.0712 PRESSURE: 1161200 -27.6577 -66.1231 -42.2052 -66.123 -389.356 123.904 -42.2056 123.903 48.3098 GPRESSURE: 1161200 20.9841 -10.9152 -8.63253 -27.5158 -333.915 180.669 -58.9536 25.7683 39.3263 PRESSAVG: 1161200 24.1467 -12.1895 18.2777 -12.1896 4.45354 -13.8766 18.2776 -13.8765 -22.8604 GPRESSAVG: 1161200 24.811 -13.0104 18.3579 -10.3147 4.69443 -16.2716 17.7339 -13.5731 -24.4413 TIMING: 1161200 CPU: 3364.97, 0.00291725/step Wall: 3364.97, 0.00291725/step, 3.11076 hours remaining, 209.265625 MB of memory in use. ENERGY: 1161200 735.6268 2126.9591 1958.0276 121.7614 -206260.8540 17655.4116 0.0000 0.0000 34336.1435 -149326.9239 299.8661 -183663.0675 -149229.7815 299.0963 -122.9012 -91.2016 558279.3210 1.9133 1.6880 PRESSURE: 1161400 39.7342 -142.881 -2.5534 -142.881 -90.1456 100.227 -2.55298 100.226 -146.834 GPRESSURE: 1161400 49.0257 -114.993 14.2464 -167.256 -2.25364 42.7022 -37.5058 179.944 -135.117 PRESSAVG: 1161400 20.3906 27.8257 18.3655 27.8257 -26.0251 -15.4153 18.3655 -15.4153 54.2197 GPRESSAVG: 1161400 21.0659 28.8613 19.0731 26.4278 -26.4577 -14.4028 17.2293 -16.5431 54.8393 TIMING: 1161400 CPU: 3365.55, 0.00290032/step Wall: 3365.55, 0.00290032/step, 3.09254 hours remaining, 209.265625 MB of memory in use. ENERGY: 1161400 789.9120 2153.8544 1947.1319 99.1903 -206672.4500 18040.7827 0.0000 0.0000 34269.2760 -149372.3026 299.2821 -183641.5787 -149282.9875 299.4231 -65.7486 -29.4483 558004.4089 16.1951 16.4825 PRESSURE: 1161600 -20.2275 -86.8582 74.8875 -86.8562 15.4376 -57.2975 74.8877 -57.2963 -116.632 GPRESSURE: 1161600 -39.2085 -79.5805 157.622 -95.3559 107.993 18.4166 23.9277 -53.0225 -98.5843 PRESSAVG: 1161600 -16.4584 -57.534 7.4588 -57.534 33.3641 -22.1865 7.45882 -22.1864 23.8897 GPRESSAVG: 1161600 -17.9529 -57.5475 5.66461 -56.3297 34.2332 -20.3031 7.11806 -22.8573 24.3006 TIMING: 1161600 CPU: 3366.13, 0.00287812/step Wall: 3366.13, 0.00287812/step, 3.06872 hours remaining, 209.265625 MB of memory in use. ENERGY: 1161600 733.6710 2176.8263 1917.1468 106.6193 -206576.5354 17801.8389 0.0000 0.0000 34315.6222 -149524.8108 299.6869 -183840.4329 -149429.9724 299.7650 -40.4741 -9.9333 556263.0754 13.5985 13.5270 PRESSURE: 1161800 -15.9232 -138.068 66.8433 -138.069 -278.949 -71.2201 66.8437 -71.2205 -25.0815 GPRESSURE: 1161800 -22.1673 -273.827 26.9162 -94.4173 -194.696 -51.1973 82.3687 -135.165 4.6576 PRESSAVG: 1161800 -37.9066 -25.2546 -14.4408 -25.2546 38.6319 2.11088 -14.4408 2.11082 3.2096 GPRESSAVG: 1161800 -37.5204 -26.0595 -14.5803 -26.0337 38.7775 2.73252 -13.1593 1.07776 2.8235 TIMING: 1161800 CPU: 3366.7, 0.00287789/step Wall: 3366.7, 0.00287789/step, 3.06831 hours remaining, 209.335938 MB of memory in use. ENERGY: 1161800 759.2549 2068.8063 1925.8521 113.6099 -206144.9687 17714.5328 0.0000 0.0000 34267.0303 -149295.8824 299.2625 -183562.9127 -149198.2414 298.9508 -106.6512 -70.7354 556776.9738 1.3116 1.3602 PRESSURE: 1162000 -304.016 42.4686 -28.6984 42.4688 -423.849 101.329 -28.6992 101.329 -90.0547 GPRESSURE: 1162000 -313.149 3.89629 -50.9531 63.9479 -420.356 140.232 -62.946 70.1582 7.71899 PRESSAVG: 1162000 -36.2582 -19.588 3.43321 -19.5879 17.7987 -3.02816 3.43326 -3.02811 19.0885 GPRESSAVG: 1162000 -36.0201 -18.0515 2.50593 -18.0269 17.35 -1.14142 3.64771 -3.72655 19.3183 TIMING: 1162000 CPU: 3367.28, 0.00289081/step Wall: 3367.28, 0.00289081/step, 3.08192 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1162000 770.8771 2137.7178 1911.5883 119.4275 -206013.3313 17452.5198 0.0000 0.0000 34246.6883 -149374.5126 299.0848 -183621.2009 -149279.9930 299.1099 -272.6399 -241.9288 559204.5893 0.2097 0.2161 PRESSURE: 1162200 -65.4483 -32.7261 42.1639 -32.726 90.3059 29.517 42.1636 29.5182 -129.977 GPRESSURE: 1162200 -0.254698 -31.7395 43.022 -22.5802 101.821 83.6983 33.0035 -36.671 -97.5659 PRESSAVG: 1162200 -28.1868 9.11555 -3.30135 9.11557 2.23342 -7.45071 -3.30141 -7.45074 31.4562 GPRESSAVG: 1162200 -27.8697 9.82632 -3.39609 8.52954 3.06228 -9.9304 -1.8695 -5.89287 30.3729 TIMING: 1162200 CPU: 3367.86, 0.00290061/step Wall: 3367.86, 0.00290061/step, 3.09221 hours remaining, 209.335938 MB of memory in use. ENERGY: 1162200 750.7505 2082.2984 1933.5046 112.5142 -206188.9672 17821.7801 0.0000 0.0000 34191.0634 -149297.0561 298.5991 -183488.1195 -149198.7966 298.9844 -35.0397 1.3336 557173.5540 1.8343 1.8551 PRESSURE: 1162400 6.76211 -36.4118 6.53341 -36.4115 -92.9053 -270.339 6.53317 -270.338 284.363 GPRESSURE: 1162400 51.2214 -81.5923 -57.0764 -93.464 -29.1952 -127.354 64.5754 -347.576 277.704 PRESSAVG: 1162400 -36.4585 18.7536 3.25265 18.7536 17.4837 -91.9223 3.25267 -91.9221 11.6509 GPRESSAVG: 1162400 -36.5816 20.0415 2.7938 17.1402 16.3972 -89.2517 2.09435 -92.5963 13.1031 TIMING: 1162400 CPU: 3368.44, 0.00288302/step Wall: 3368.44, 0.00288302/step, 3.07329 hours remaining, 209.335938 MB of memory in use. ENERGY: 1162400 740.3815 2107.4930 1929.9106 116.2510 -206358.6357 17848.7733 0.0000 0.0000 34244.3784 -149371.4478 299.0647 -183615.8262 -149265.4786 299.5625 66.0734 99.9100 555337.3919 -2.4413 -2.3604 PRESSURE: 1162600 61.9488 73.253 0.721971 73.2541 -239.383 162.522 0.722751 162.52 12.9452 GPRESSURE: 1162600 33.2415 115.253 -4.48977 81.3654 -146.257 112.22 -4.19287 213.063 49.6335 PRESSAVG: 1162600 -12.9115 2.60441 -1.23505 2.60441 21.8925 12.132 -1.23499 12.132 -0.626007 GPRESSAVG: 1162600 -13.6405 0.839501 0.94488 4.64035 22.9821 9.55668 -2.12162 13.9419 -1.26257 TIMING: 1162600 CPU: 3369.02, 0.00289062/step Wall: 3369.02, 0.00289062/step, 3.08124 hours remaining, 209.335938 MB of memory in use. ENERGY: 1162600 774.0720 2067.6626 1910.6668 130.9921 -206148.2038 17793.9951 0.0000 0.0000 34363.8168 -149106.9983 300.1078 -183470.8152 -149012.4042 299.2416 -54.8298 -21.1273 556187.9411 2.7850 2.6930 PRESSURE: 1162800 -126.001 -100.386 150.757 -100.386 74.9134 -237.512 150.756 -237.514 -121.759 GPRESSURE: 1162800 -84.7611 -64.6673 121.594 -53.133 72.7636 -331.202 99.449 -103.433 -54.2117 PRESSAVG: 1162800 9.39516 -17.1176 -50.5246 -17.1176 6.10526 21.9825 -50.5246 21.9826 12.0425 GPRESSAVG: 1162800 10.1469 -17.4295 -51.929 -16.2626 5.24769 20.6022 -48.6716 22.4627 12.1244 TIMING: 1162800 CPU: 3369.6, 0.00293024/step Wall: 3369.6, 0.00293024/step, 3.12331 hours remaining, 209.335938 MB of memory in use. ENERGY: 1162800 773.4090 2100.8855 1909.9576 110.2793 -206154.8652 17751.1777 0.0000 0.0000 34490.1955 -149018.9606 301.2115 -183509.1561 -148918.5354 300.3884 -57.6157 -22.0697 556709.5787 9.1810 9.1730 PRESSURE: 1163000 -19.9547 -131.01 -85.2562 -131.01 -369.371 -3.06393 -85.2562 -3.06202 -107.504 GPRESSURE: 1163000 32.6477 -149.192 -61.2729 -89.6835 -372.591 -28.9434 -89.5966 -28.0617 -60.4666 PRESSAVG: 1163000 47.0811 6.59006 -31.2527 6.59 -25.9082 57.0404 -31.2527 57.0403 -32.0519 GPRESSAVG: 1163000 46.6571 7.0428 -31.5436 4.97296 -24.4917 57.3769 -33.2677 56.1514 -32.8834 TIMING: 1163000 CPU: 3370.18, 0.0029075/step Wall: 3370.18, 0.0029075/step, 3.09891 hours remaining, 209.335938 MB of memory in use. ENERGY: 1163000 717.9657 2094.5067 1923.9262 120.5364 -205866.5752 17644.8548 0.0000 0.0000 34327.3279 -149037.4575 299.7891 -183364.7854 -148939.6619 301.2781 -165.6098 -133.4699 558798.3471 -3.6263 -3.5727 PRESSURE: 1163200 45.0106 76.6889 -39.9043 76.6892 -33.2163 63.4919 -39.9052 63.4905 -85.0733 GPRESSURE: 1163200 116.976 153.575 -85.1519 39.0024 -27.5816 27.7081 -17.085 97.6267 -74.8517 PRESSAVG: 1163200 16.8507 32.2796 11.9689 32.2796 1.09997 42.8656 11.969 42.8655 -22.6789 GPRESSAVG: 1163200 16.8433 32.9328 11.8058 31.4236 1.35847 41.7668 12.2242 43.7637 -22.2794 TIMING: 1163200 CPU: 3370.76, 0.00290371/step Wall: 3370.76, 0.00290371/step, 3.09471 hours remaining, 209.335938 MB of memory in use. ENERGY: 1163200 721.7184 2046.7831 1980.4956 115.4757 -206165.1295 17743.6445 0.0000 0.0000 34474.2037 -149082.8084 301.0718 -183557.0121 -148987.9629 300.0173 -24.4264 4.8475 557861.9346 -1.5761 -1.3592 PRESSURE: 1163400 82.3049 65.7518 -50.1426 65.7534 147.793 -63.9386 -50.1426 -63.9392 -203.134 GPRESSURE: 1163400 88.7972 189.723 -99.5746 74.0111 181.434 42.087 24.0506 -45.5426 -144.686 PRESSAVG: 1163400 -18.2246 35.0255 37.5519 35.0254 79.9419 56.0974 37.5519 56.0975 -86.9144 GPRESSAVG: 1163400 -17.6818 35.3672 38.8978 35.0778 78.4887 57.4983 38.9091 54.9913 -86.0204 TIMING: 1163400 CPU: 3371.35, 0.00292003/step Wall: 3371.35, 0.00292003/step, 3.11194 hours remaining, 209.335938 MB of memory in use. ENERGY: 1163400 756.5128 2109.7192 1928.0362 114.1866 -206333.4327 17893.6171 0.0000 0.0000 34504.7348 -149026.6260 301.3384 -183531.3608 -148936.6790 300.2420 8.9879 41.8484 556810.6760 -8.3990 -8.4045 PRESSURE: 1163600 261.731 86.4025 24.4837 86.4028 -90.5051 -190.444 24.4823 -190.443 -300.929 GPRESSURE: 1163600 200.805 36.8421 49.4203 153.909 -13.0315 -191.587 -25.5992 -350.929 -231.282 PRESSAVG: 1163600 -17.6228 -7.70351 36.1966 -7.70358 45.2437 -77.8211 36.1966 -77.8211 -38.3461 GPRESSAVG: 1163600 -17.2754 -8.19566 34.0018 -7.56689 46.4886 -77.1374 33.7891 -77.4208 -39.5096 TIMING: 1163600 CPU: 3371.93, 0.00292261/step Wall: 3371.93, 0.00292261/step, 3.11453 hours remaining, 209.335938 MB of memory in use. ENERGY: 1163600 769.1149 2118.2378 1940.4906 113.1525 -206126.8619 17830.8411 0.0000 0.0000 34244.6045 -149110.4205 299.0666 -183355.0249 -149015.4714 300.7853 -43.2342 -14.5028 557896.0502 -3.5751 -3.4321 PRESSURE: 1163800 -305.534 26.0105 73.4424 26.011 171.939 -82.4987 73.4431 -82.498 207.107 GPRESSURE: 1163800 -233.949 -12.0547 56.0425 77.196 202.162 -38.5499 7.94229 -84.412 196.085 PRESSAVG: 1163800 48.3842 -28.4575 -1.74788 -28.4575 -34.75 -16.5276 -1.74781 -16.5276 -3.26851 GPRESSAVG: 1163800 47.5805 -29.4074 0.606302 -28.5673 -35.8195 -17.3933 -0.0346243 -16.6484 -1.03281 TIMING: 1163800 CPU: 3372.51, 0.00290686/step Wall: 3372.51, 0.00290686/step, 3.09758 hours remaining, 209.335938 MB of memory in use. ENERGY: 1163800 755.6442 2120.6707 1910.8592 105.7401 -206355.9192 18004.0146 0.0000 0.0000 34231.7474 -149227.2431 298.9544 -183458.9905 -149136.4314 299.8449 24.5039 54.7660 558912.3450 3.4552 3.5761 PRESSURE: 1164000 23.0301 45.9846 -149.589 45.9856 -165.897 -14.0906 -149.589 -14.0903 -99.7654 GPRESSURE: 1164000 32.7215 49.0997 -174.421 81.3641 -88.5283 -55.0653 -134.559 8.75084 -93.4552 PRESSAVG: 1164000 -9.86405 -13.0644 -17.5212 -13.0644 -62.5506 -10.3936 -17.5213 -10.3936 71.5258 GPRESSAVG: 1164000 -9.31081 -12.5985 -18.2834 -12.2728 -61.6883 -9.89835 -16.8984 -11.2394 70.7442 TIMING: 1164000 CPU: 3373.09, 0.0028917/step Wall: 3373.09, 0.0028917/step, 3.08127 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1164000 754.7954 2101.3505 1948.6750 120.9105 -206141.7381 17714.3057 0.0000 0.0000 34095.2997 -149406.4013 297.7627 -183501.7010 -149313.2604 298.8967 -80.8774 -49.7540 557785.1933 -0.2963 -0.0850 PRESSURE: 1164200 66.1524 96.0275 -43.7816 96.0278 -17.0112 11.9598 -43.7822 11.9595 200.37 GPRESSURE: 1164200 99.0942 95.0327 16.6335 121.777 0.629615 10.7025 -73.5902 85.5738 244.367 PRESSAVG: 1164200 31.4874 2.50332 2.7162 2.50326 -38.9371 -13.3939 2.71618 -13.3939 25.4968 GPRESSAVG: 1164200 31.8062 1.50314 2.09613 3.90023 -39.8716 -12.2566 0.775139 -13.4154 25.3844 TIMING: 1164200 CPU: 3373.67, 0.0028997/step Wall: 3373.67, 0.0028997/step, 3.08963 hours remaining, 209.335938 MB of memory in use. ENERGY: 1164200 743.2843 2069.2815 1940.4874 99.2024 -206310.4704 17871.7528 0.0000 0.0000 34246.0516 -149340.4103 299.0793 -183586.4619 -149236.7924 299.5817 83.1703 114.6969 556594.5468 6.0157 5.7730 LDB: ============= START OF LOAD BALANCING ============== 3377.06 LDB: ============== END OF LOAD BALANCING =============== 3377.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3377.06 LDB: ============= START OF LOAD BALANCING ============== 3377.35 LDB: Largest compute 4820 load 0.022438 is 19.0% of average load 0.118050 LDB: Average compute 0.001692 is 1.4% of average load 0.118050 LDB: TIME 3377.35 LOAD: AVG 0.11805 MAX 0.185316 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.301 MB LDB: TIME 3377.35 LOAD: AVG 0.11805 MAX 0.185316 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.301 MB LDB: TIME 3377.35 LOAD: AVG 0.11805 MAX 0.185316 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3377.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3377.36 PRESSURE: 1164400 -46.6925 -152.685 69.5698 -152.687 103.242 23.8272 69.5694 23.8265 -89.9741 GPRESSURE: 1164400 -20.5731 -137.679 98.9563 -144.62 185.485 -37.8339 50.9629 118.239 -104.029 PRESSAVG: 1164400 33.538 8.4494 -28.2073 8.44938 15.6403 -36.3043 -28.2072 -36.3043 -17.5568 GPRESSAVG: 1164400 31.1797 8.87405 -29.5311 6.93976 17.1608 -38.8222 -27.7114 -33.0919 -17.18 TIMING: 1164400 CPU: 3374.26, 0.00294932/step Wall: 3374.26, 0.00294932/step, 3.14233 hours remaining, 208.238281 MB of memory in use. ENERGY: 1164400 748.7366 2157.5595 1923.2566 105.7275 -206449.5491 17867.7551 0.0000 0.0000 34291.4509 -149355.0628 299.4758 -183646.5137 -149259.0657 299.1412 -11.1414 20.2943 556677.7193 10.5405 10.3869 PRESSURE: 1164600 98.8955 227.918 -57.6786 227.919 18.9794 64.7608 -57.6771 64.7613 -39.966 GPRESSURE: 1164600 168.921 211.637 -43.1937 184.547 57.5152 63.9648 -74.8073 76.3736 -46.8446 PRESSAVG: 1164600 -43.5503 -31.8113 -28.6405 -31.8112 19.6316 9.23866 -28.6403 9.23866 -11.145 GPRESSAVG: 1164600 -42.4017 -31.0531 -28.6217 -33.8884 18.3022 8.94484 -29.0447 7.14594 -10.9042 TIMING: 1164600 CPU: 3374.84, 0.00291103/step Wall: 3374.84, 0.00291103/step, 3.10138 hours remaining, 208.441406 MB of memory in use. ENERGY: 1164600 741.7760 2044.5955 1955.2498 109.7176 -206453.7925 17948.4966 0.0000 0.0000 34194.8648 -149459.0923 298.6323 -183653.9570 -149357.3635 298.9231 25.9696 59.8638 557758.0631 -11.6879 -11.6679 PRESSURE: 1164800 352.35 -130.998 96.1028 -130.999 2.67894 -33.2545 96.102 -33.2557 165.898 GPRESSURE: 1164800 366.285 -103.118 -19.9004 -44.1272 18.1868 -48.9927 172.092 -7.21978 230.498 PRESSAVG: 1164800 -44.3209 0.591365 -7.98777 0.591377 32.4094 -11.7557 -7.98776 -11.7558 -6.02232 GPRESSAVG: 1164800 -43.4268 -1.36885 -8.34372 3.57445 31.9987 -11.7648 -6.76049 -13.4555 -6.68432 TIMING: 1164800 CPU: 3375.43, 0.00290564/step Wall: 3375.43, 0.00290564/step, 3.09548 hours remaining, 208.441406 MB of memory in use. ENERGY: 1164800 711.1392 2109.2458 1952.8468 121.7011 -206766.1063 18132.8696 0.0000 0.0000 34119.9699 -149618.3339 297.9782 -183738.3038 -149518.7068 298.4937 173.6424 204.9902 558283.6325 -5.9780 -6.0375 PRESSURE: 1165000 192.939 -64.1468 -70.4451 -64.1467 160.789 64.7114 -70.4452 64.7112 -226.731 GPRESSURE: 1165000 164.176 -41.5884 -106.626 -152.974 176.018 24.8233 -53.4579 -25.0559 -117.214 PRESSAVG: 1165000 -36.6252 -5.03954 18.1747 -5.03955 -4.52001 20.1932 18.1745 20.1932 -1.24785 GPRESSAVG: 1165000 -35.6031 -2.99037 19.1921 -6.73239 -4.6681 21.6916 17.8846 21.9183 -2.19122 TIMING: 1165000 CPU: 3376, 0.00289869/step Wall: 3376, 0.00289869/step, 3.08791 hours remaining, 208.441406 MB of memory in use. ENERGY: 1165000 734.9983 2097.4612 1939.9499 116.3476 -206322.0889 17730.3656 0.0000 0.0000 34253.0868 -149449.8794 299.1407 -183702.9662 -149342.7018 298.5805 42.3324 74.3265 558097.7996 -14.1310 -14.1541 PRESSURE: 1165200 -60.8203 123.403 -51.6383 123.404 145.931 7.27244 -51.6383 7.27166 -146.435 GPRESSURE: 1165200 15.6127 141 -9.092 162.131 112.684 94.0094 -109.968 8.84343 -83.0231 PRESSAVG: 1165200 45.2569 33.5721 -3.22117 33.5722 -37.2882 50.9038 -3.22112 50.9038 -28.0503 GPRESSAVG: 1165200 43.5396 33.4861 -2.62606 33.4667 -36.4312 49.3544 -3.80578 53.5078 -27.3046 TIMING: 1165200 CPU: 3376.58, 0.00289358/step Wall: 3376.58, 0.00289358/step, 3.08231 hours remaining, 208.441406 MB of memory in use. ENERGY: 1165200 764.0832 2086.7082 1917.6240 104.2102 -206741.7977 18062.4399 0.0000 0.0000 34314.3613 -149492.3710 299.6759 -183806.7322 -149402.4947 299.6859 -20.4415 15.0912 557993.7390 -6.6939 -6.7321 PRESSURE: 1165400 -15.0489 -60.1979 140.775 -60.198 -152.153 2.23117 140.776 2.23054 -38.8094 GPRESSURE: 1165400 39.1103 -8.78324 162.274 -219.35 -147.578 69.0395 28.8121 1.99912 0.569993 PRESSAVG: 1165400 8.11784 -18.0625 10.3022 -18.0625 41.7881 12.4881 10.3022 12.488 -24.1628 GPRESSAVG: 1165400 8.20803 -18.7335 8.3334 -18.2043 41.798 12.9996 10.5989 11.619 -24.6687 TIMING: 1165400 CPU: 3377.16, 0.00288842/step Wall: 3377.16, 0.00288842/step, 3.07664 hours remaining, 208.699219 MB of memory in use. ENERGY: 1165400 757.5482 2142.4618 1921.0372 111.4544 -206052.0161 17679.3712 0.0000 0.0000 34013.5568 -149426.5865 297.0489 -183440.1433 -149334.6481 298.9807 -68.6704 -35.9658 558068.6344 8.5811 8.4458 PRESSURE: 1165600 -116.049 -52.364 -0.96831 -52.363 219.298 112.545 -0.969411 112.546 -49.6498 GPRESSURE: 1165600 -135.202 -115.971 17.5645 -11.9844 268.934 222.335 -63.9027 38.1292 22.3033 PRESSAVG: 1165600 52.4252 20.2405 9.85598 20.2406 11.0047 37.0911 9.85606 37.091 -31.972 GPRESSAVG: 1165600 51.9143 19.7486 10.7604 21.6882 11.7714 36.6666 10.7544 34.8483 -32.2318 TIMING: 1165600 CPU: 3377.75, 0.00292645/step Wall: 3377.75, 0.00292645/step, 3.117 hours remaining, 208.699219 MB of memory in use. ENERGY: 1165600 710.5321 2066.9767 1950.8586 126.6334 -206460.6319 17923.7678 0.0000 0.0000 34259.8275 -149422.0359 299.1996 -183681.8633 -149323.3597 298.3738 17.8662 52.0115 558125.9467 10.4860 10.4846 PRESSURE: 1165800 -98.9942 -86.0886 76.0713 -86.0881 31.7621 50.1635 76.0724 50.164 -140.605 GPRESSURE: 1165800 -61.8631 -27.9053 85.9576 -95.1844 22.8072 51.7234 -13.4842 41.6257 -82.7221 PRESSAVG: 1165800 -26.108 34.2159 -28.4284 34.2159 29.9116 19.3675 -28.4284 19.3674 -6.36757 GPRESSAVG: 1165800 -25.3053 35.5081 -28.7331 30.8285 27.5244 19.9552 -29.6944 19.2469 -5.03721 TIMING: 1165800 CPU: 3378.33, 0.0029354/step Wall: 3378.33, 0.0029354/step, 3.12636 hours remaining, 208.699219 MB of memory in use. ENERGY: 1165800 751.0000 2104.2789 1952.7721 122.8139 -206078.1681 17754.2233 0.0000 0.0000 33980.8770 -149412.2030 296.7635 -183393.0799 -149320.1526 298.7736 -69.2789 -40.5927 557969.6412 -0.8547 -0.9394 PRESSURE: 1166000 85.2938 37.5523 151.521 37.551 261.639 -62.1431 151.521 -62.1413 231.526 GPRESSURE: 1166000 104.07 -24.1074 127.815 127.237 276.778 -86.7198 104.264 -4.55229 298.284 PRESSAVG: 1166000 -62.5636 39.6672 23.6654 39.6672 85.7383 14.5918 23.6653 14.5918 7.80357 GPRESSAVG: 1166000 -62.588 38.9226 23.4307 43.2259 87.3382 13.7239 23.852 16.7281 6.6848 TIMING: 1166000 CPU: 3378.91, 0.00290358/step Wall: 3378.91, 0.00290359/step, 3.09232 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1166000 734.0557 2134.0940 1925.0396 118.8642 -206530.4086 18098.3204 0.0000 0.0000 34168.5574 -149351.4771 298.4025 -183520.0345 -149254.8216 298.9475 192.8197 226.3774 555409.9526 10.3261 10.4783 PRESSURE: 1166200 123.134 61.3952 -163.571 61.3956 -118.792 22.7937 -163.57 22.7964 2.43004 GPRESSURE: 1166200 129.84 115.151 -181.056 24.9549 -57.0294 -66.7128 -136.757 143.794 44.5097 PRESSAVG: 1166200 -6.19963 24.5464 37.6854 24.5464 31.8324 -2.03035 37.6855 -2.03025 -44.4915 GPRESSAVG: 1166200 -6.09628 25.2114 39.0957 24.147 31.3087 -2.49336 36.9727 -3.63709 -44.356 TIMING: 1166200 CPU: 3379.49, 0.00287685/step Wall: 3379.49, 0.00287685/step, 3.06369 hours remaining, 208.699219 MB of memory in use. ENERGY: 1166200 761.6127 2100.3396 1951.3136 122.5764 -206627.2344 17932.3939 0.0000 0.0000 34308.2490 -149450.7492 299.6225 -183758.9981 -149352.0231 298.9670 2.2572 39.1069 557814.5809 -6.2862 -6.3812 PRESSURE: 1166400 -58.0529 66.2397 101.232 66.2406 -111.417 -115.695 101.231 -115.696 -199.134 GPRESSURE: 1166400 -43.7696 69.3139 71.888 58.8128 -86.4833 -77.8761 72.844 -190.599 -153.955 PRESSAVG: 1166400 -11.8625 -21.5966 14.4517 -21.5967 -14.0429 64.0452 14.4518 64.0452 -36.5674 GPRESSAVG: 1166400 -13.0889 -24.8753 14.2154 -21.7066 -12.7582 63.6938 15.1246 63.1539 -36.1497 TIMING: 1166400 CPU: 3380.07, 0.00288959/step Wall: 3380.07, 0.00288959/step, 3.07709 hours remaining, 208.699219 MB of memory in use. ENERGY: 1166400 750.6054 2099.8224 1938.9994 115.9095 -206071.7211 17639.1856 0.0000 0.0000 34206.1030 -149321.0958 298.7304 -183527.1988 -149219.4226 299.1362 -122.8678 -94.7359 558431.8562 -20.8243 -20.6656 PRESSURE: 1166600 -130.052 -73.416 -49.019 -73.417 25.1753 -36.7236 -49.0192 -36.7229 -129.757 GPRESSURE: 1166600 -42.8953 -70.0461 -10.1813 -83.534 7.5271 -32.4359 27.7339 -44.6755 -103.056 PRESSAVG: 1166600 51.9982 -56.4109 45.4165 -56.411 24.9986 9.62954 45.4166 9.62958 -66.1875 GPRESSAVG: 1166600 52.7701 -52.1083 45.3443 -58.875 24.5865 12.4112 46.7605 9.55925 -66.3317 TIMING: 1166600 CPU: 3380.65, 0.00290498/step Wall: 3380.65, 0.00290498/step, 3.09331 hours remaining, 208.699219 MB of memory in use. ENERGY: 1166600 764.5812 2147.5683 1943.3079 122.6497 -205969.8002 17598.3728 0.0000 0.0000 34093.1990 -149300.1213 297.7444 -183393.3203 -149215.0601 299.2258 -78.2115 -46.1414 559197.3166 3.6031 3.6749 PRESSURE: 1166800 130.965 1.96611 74.382 1.96591 42.6846 9.43508 74.3819 9.43415 86.0805 GPRESSURE: 1166800 172.269 -55.045 24.6504 47.0219 81.2937 -52.3473 49.529 28.0985 104.68 PRESSAVG: 1166800 -17.1933 -2.40104 -31.4311 -2.40096 32.6525 1.93197 -31.4311 1.93191 -42.2444 GPRESSAVG: 1166800 -18.0814 -4.3407 -29.812 0.780113 32.7675 1.78271 -34.1932 4.95959 -41.9252 TIMING: 1166800 CPU: 3381.23, 0.00289635/step Wall: 3381.23, 0.00289635/step, 3.08397 hours remaining, 208.699219 MB of memory in use. ENERGY: 1166800 753.5786 2150.0274 1919.3180 109.7667 -206322.1468 18021.0205 0.0000 0.0000 34149.2257 -149219.2098 298.2337 -183368.4355 -149121.9214 298.5206 86.5767 119.4141 557867.9291 -8.9284 -9.0797 PRESSURE: 1167000 -29.1938 -136.374 26.5053 -136.373 -125.902 -15.6822 26.5045 -15.6822 -172.971 GPRESSURE: 1167000 -8.09234 -57.98 -14.872 -182.793 -136.722 -37.6998 21.9049 -42.5957 -78.5004 PRESSAVG: 1167000 39.3975 -53.6511 -24.9352 -53.6512 2.57036 -21.5011 -24.9351 -21.5011 -41.0257 GPRESSAVG: 1167000 38.8353 -53.48 -26.3562 -53.9991 1.63233 -23.3271 -22.6356 -25.0281 -39.8522 TIMING: 1167000 CPU: 3381.81, 0.00289992/step Wall: 3381.81, 0.00289992/step, 3.08761 hours remaining, 208.699219 MB of memory in use. ENERGY: 1167000 740.1568 2084.8116 1931.9813 117.3624 -206521.9196 17850.1506 0.0000 0.0000 34490.6774 -149306.7795 301.2157 -183797.4569 -149203.1073 299.0894 -109.3555 -74.4382 557516.4823 0.3141 0.2051 PRESSURE: 1167200 -257.923 35.4022 -71.9294 35.4007 251.538 123.996 -71.928 123.999 154.918 GPRESSURE: 1167200 -172.545 -83.5828 -48.6261 109.402 242.841 137.566 -146.306 86.758 179.891 PRESSAVG: 1167200 -36.7083 41.8291 -23.6897 41.829 43.9636 -19.7416 -23.6897 -19.7415 -26.1118 GPRESSAVG: 1167200 -36.1034 40.0247 -23.4684 41.666 45.2228 -19.6175 -24.283 -17.5744 -27.9933 TIMING: 1167200 CPU: 3382.39, 0.00289595/step Wall: 3382.39, 0.00289595/step, 3.08322 hours remaining, 208.699219 MB of memory in use. ENERGY: 1167200 800.5571 2136.0456 1923.3040 109.8585 -206511.3564 18012.7871 0.0000 0.0000 34247.7411 -149281.0630 299.0940 -183528.8041 -149179.7380 299.5116 49.5109 83.3957 558319.4738 -6.2855 -6.2913 PRESSURE: 1167400 -102.038 150.335 -7.39673 150.335 94.4357 169.245 -7.39654 169.245 -24.6821 GPRESSURE: 1167400 -2.80934 178.893 55.6349 138.038 92.0259 116.445 -73.0643 210.894 -22.5342 PRESSAVG: 1167400 -4.43883 -29.3673 -30.5881 -29.3672 40.5736 32.9562 -30.5882 32.9563 -5.9016 GPRESSAVG: 1167400 -4.39764 -27.2313 -29.3492 -29.6861 40.098 34.7157 -33.4953 33.2624 -5.893 TIMING: 1167400 CPU: 3382.97, 0.00290851/step Wall: 3382.97, 0.00290851/step, 3.09643 hours remaining, 208.699219 MB of memory in use. ENERGY: 1167400 739.0646 2150.4264 1931.8957 130.1061 -206578.9121 17896.2971 0.0000 0.0000 34393.6787 -149337.4436 300.3686 -183731.1223 -149239.4117 299.7879 -10.7616 22.2274 558412.6708 10.0777 9.9358 PRESSURE: 1167600 -11.0345 -147.644 104.462 -147.644 84.3621 26.8986 104.463 26.8988 87.848 GPRESSURE: 1167600 35.4072 -40.935 148.996 -220.675 90.0197 -18.8042 124.064 46.5705 145.097 PRESSAVG: 1167600 -25.5046 -10.5186 -50.6902 -10.5186 9.08881 15.7117 -50.6902 15.7114 -27.0811 GPRESSAVG: 1167600 -25.0806 -10.6656 -52.512 -11.469 8.23485 15.1203 -47.6384 15.0628 -27.0558 TIMING: 1167600 CPU: 3383.55, 0.00290853/step Wall: 3383.55, 0.00290853/step, 3.09629 hours remaining, 208.699219 MB of memory in use. ENERGY: 1167600 757.5200 2109.1709 1939.8984 103.3832 -206393.0669 18004.5004 0.0000 0.0000 34079.1123 -149399.4818 297.6214 -183478.5941 -149301.1996 299.1581 53.7252 90.1745 560542.6521 -14.4990 -14.6339 PRESSURE: 1167800 -191.46 87.5039 106.343 87.5054 -70.2885 72.8542 106.342 72.8539 35.3222 GPRESSURE: 1167800 -164.733 68.0005 44.9587 73.5438 -13.1597 66.7384 128.052 68.7087 43.0221 PRESSAVG: 1167800 38.8511 -58.8949 9.91523 -58.8949 -8.77185 22.1402 9.91529 22.1402 -27.6872 GPRESSAVG: 1167800 39.1257 -60.0714 10.452 -58.9327 -8.98673 21.4018 8.97491 21.0077 -27.4136 TIMING: 1167800 CPU: 3384.13, 0.00291576/step Wall: 3384.13, 0.00291576/step, 3.10383 hours remaining, 208.699219 MB of memory in use. ENERGY: 1167800 769.8023 2095.1859 1952.0876 109.6673 -206120.0511 17639.6140 0.0000 0.0000 34179.3103 -149374.3837 298.4964 -183553.6940 -149275.9462 298.6275 -75.4753 -44.9570 560116.2318 0.7974 0.9085 PRESSURE: 1168000 -157.807 -73.223 82.2677 -73.222 -90.0333 -186.333 82.2685 -186.335 -182.353 GPRESSURE: 1168000 -171.467 -41.6034 97.6916 -108.244 -23.7186 -187.214 47.461 -181.269 -144.724 PRESSAVG: 1168000 -19.2055 -25.2192 -1.41227 -25.2191 -28.1537 -30.3837 -1.41223 -30.3838 21.496 GPRESSAVG: 1168000 -20.2097 -22.4558 0.75828 -25.6524 -27.1417 -29.9572 -2.52495 -28.597 21.8277 TIMING: 1168000 CPU: 3384.71, 0.00290465/step Wall: 3384.71, 0.00290465/step, 3.09184 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1168000 749.4730 2123.4217 1921.9736 107.0279 -206346.7734 17818.3489 0.0000 0.0000 34315.0496 -149311.4787 299.6819 -183626.5283 -149219.4031 298.9914 -143.3977 -113.3033 558967.3681 -8.6210 -8.5079 PRESSURE: 1168200 119.27 10.472 10.4753 10.4729 35.0602 22.3996 10.4752 22.4017 113.163 GPRESSURE: 1168200 141.627 -31.1962 110.032 52.2854 74.7577 -5.88069 -23.2272 60.8762 150.444 PRESSAVG: 1168200 -28.2374 11.1571 7.29382 11.1571 -2.973 9.79287 7.29389 9.7929 42.5657 GPRESSAVG: 1168200 -27.5976 9.76484 7.40539 11.6486 -3.10527 9.81214 6.09326 8.69447 42.1133 TIMING: 1168200 CPU: 3385.29, 0.00289291/step Wall: 3385.29, 0.00289291/step, 3.07918 hours remaining, 208.699219 MB of memory in use. ENERGY: 1168200 742.2255 2161.4080 1933.9099 101.7561 -206531.5256 17971.1542 0.0000 0.0000 34174.0688 -149447.0032 298.4506 -183621.0720 -149352.2368 299.5423 89.1642 122.2761 557617.7479 3.7851 3.8035 LDB: ============= START OF LOAD BALANCING ============== 3388.68 LDB: ============== END OF LOAD BALANCING =============== 3388.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3388.68 LDB: ============= START OF LOAD BALANCING ============== 3388.97 LDB: Largest compute 4820 load 0.023948 is 20.3% of average load 0.118018 LDB: Average compute 0.001699 is 1.4% of average load 0.118018 LDB: TIME 3388.97 LOAD: AVG 0.118018 MAX 0.187262 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.336 MB LDB: TIME 3388.97 LOAD: AVG 0.118018 MAX 0.187262 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: TIME 3388.97 LOAD: AVG 0.118018 MAX 0.187262 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: ============== END OF LOAD BALANCING =============== 3388.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3388.98 PRESSURE: 1168400 -215.149 20.0288 77.6839 20.0279 70.1185 129.676 77.6828 129.677 200.258 GPRESSURE: 1168400 -134.169 -66.8822 124.502 50.8085 127.109 89.323 64.29 87.9682 171.583 PRESSAVG: 1168400 53.22 -2.83946 8.92502 -2.83952 -35.0436 32.1889 8.92495 32.1888 36.5699 GPRESSAVG: 1168400 52.7979 -3.83558 8.43574 -2.28614 -35.0852 34.5129 10.8411 32.6181 36.8652 TIMING: 1168400 CPU: 3385.88, 0.00294947/step Wall: 3385.88, 0.00294947/step, 3.13922 hours remaining, 206.570312 MB of memory in use. ENERGY: 1168400 790.1140 2167.8553 1952.1457 122.9091 -206673.5080 18143.9839 0.0000 0.0000 34130.4894 -149366.0105 298.0701 -183496.4999 -149276.2887 299.2484 18.4092 54.8414 557571.4097 18.2488 18.1926 PRESSURE: 1168600 178.707 -100.956 31.6886 -100.957 99.7864 -32.4321 31.6887 -32.431 341.456 GPRESSURE: 1168600 193.739 -109.48 79.9308 -74.2528 128.728 -15.5861 92.0843 -38.0051 397.157 PRESSAVG: 1168600 -2.60485 -39.0105 22.8495 -39.0106 -21.2051 11.0277 22.8495 11.0276 26.0887 GPRESSAVG: 1168600 -2.30802 -37.49 20.9614 -38.6946 -22.0052 9.01361 24.6117 10.8796 26.5258 TIMING: 1168600 CPU: 3386.46, 0.002895/step Wall: 3386.46, 0.002895/step, 3.08108 hours remaining, 206.769531 MB of memory in use. ENERGY: 1168600 762.7769 2139.8311 1961.0246 108.1830 -206730.8861 18146.6345 0.0000 0.0000 34333.6375 -149278.7986 299.8442 -183612.4361 -149176.1625 299.1868 206.6498 239.8745 557744.9652 0.7596 0.7375 PRESSURE: 1168800 -14.1998 -77.0462 -132.197 -77.0461 -40.8183 -83.3144 -132.197 -83.3144 358.147 GPRESSURE: 1168800 20.4694 -6.29387 -115.492 -80.673 -30.3407 -101.041 -76.9829 -65.6125 407.686 PRESSAVG: 1168800 -31.4821 -67.8736 6.0041 -67.8736 33.0604 -19.6286 6.00417 -19.6286 15.4438 GPRESSAVG: 1168800 -32.9003 -67.2561 6.17786 -68.4536 33.3467 -18.0468 7.87731 -20.0523 16.8418 TIMING: 1168800 CPU: 3387.04, 0.00289908/step Wall: 3387.04, 0.00289908/step, 3.08527 hours remaining, 206.769531 MB of memory in use. ENERGY: 1168800 757.5115 2098.5801 1934.8605 122.9366 -206802.3707 18210.3966 0.0000 0.0000 34276.3143 -149401.7711 299.3436 -183678.0854 -149311.8850 298.9263 101.0430 132.6048 556552.1364 5.6741 5.7628 PRESSURE: 1169000 139.093 86.2822 171.586 86.2833 200.913 233.564 171.586 233.564 79.3355 GPRESSURE: 1169000 164.999 49.8234 127.64 34.8869 210.807 204.251 175.438 257.729 142.232 PRESSAVG: 1169000 49.6461 -44.267 17.0415 -44.2669 -1.29722 3.80305 17.0416 3.80302 22.9677 GPRESSAVG: 1169000 51.4017 -45.5022 16.5871 -45.1451 -1.92324 1.97726 16.6509 3.85201 21.5258 TIMING: 1169000 CPU: 3387.62, 0.00290695/step Wall: 3387.62, 0.00290695/step, 3.09348 hours remaining, 206.972656 MB of memory in use. ENERGY: 1169000 741.2872 2137.1164 1921.5191 109.5235 -206625.8955 18068.9772 0.0000 0.0000 34368.7834 -149278.6887 300.1511 -183647.4720 -149177.4993 299.2761 139.7804 172.6793 558262.2933 23.7722 23.6681 PRESSURE: 1169200 -11.9994 -59.4675 19.924 -59.469 -265.712 46.3756 19.9232 46.3766 133.341 GPRESSURE: 1169200 39.1336 29.5418 -84.2219 -92.7773 -253.719 54.3909 62.4429 5.81043 173.089 PRESSAVG: 1169200 27.978 -45.5777 -22.1214 -45.5778 -80.0589 43.4539 -22.1214 43.4539 50.9506 GPRESSAVG: 1169200 27.0712 -46.055 -20.4103 -44.7812 -80.1308 42.5572 -25.0812 43.6726 51.8387 TIMING: 1169200 CPU: 3388.2, 0.00289389/step Wall: 3388.2, 0.00289389/step, 3.07942 hours remaining, 206.972656 MB of memory in use. ENERGY: 1169200 773.4257 2140.7831 1906.6868 101.7979 -206387.3565 17747.3924 0.0000 0.0000 34408.1020 -149309.1685 300.4945 -183717.2706 -149213.8207 299.0698 -48.1236 -13.8323 556754.9335 -0.3768 -0.4070 PRESSURE: 1169400 105.514 -18.6761 -80.5038 -18.6765 26.2481 -2.01784 -80.5042 -2.01732 -96.284 GPRESSURE: 1169400 156.701 -88.6332 14.3596 50.2865 24.6115 -61.4028 -92.7603 -42.8568 -46.693 PRESSAVG: 1169400 5.42271 -41.8537 27.5677 -41.8536 -4.13523 -36.4563 27.5678 -36.4563 9.31545 GPRESSAVG: 1169400 5.40455 -42.9951 27.5375 -42.4777 -3.79832 -35.2162 28.6945 -34.5966 8.53189 TIMING: 1169400 CPU: 3388.78, 0.00290835/step Wall: 3388.78, 0.00290835/step, 3.09464 hours remaining, 206.972656 MB of memory in use. ENERGY: 1169400 741.5415 2141.4750 1912.2326 113.4095 -206079.8980 17775.3789 0.0000 0.0000 34263.2970 -149132.5635 299.2299 -183395.8605 -149040.7873 299.3798 11.8259 44.8732 558222.3070 3.5343 3.3794 PRESSURE: 1169600 11.6297 -46.1335 -127.463 -46.1337 169.573 -11.8344 -127.463 -11.835 -505.958 GPRESSURE: 1169600 34.8907 -45.2685 -257.008 -87.0695 238.759 -57.5497 -122.882 27.0315 -507.63 PRESSAVG: 1169600 16.49 -44.8258 27.7122 -44.8259 29.5142 17.4978 27.7123 17.498 -57.8714 GPRESSAVG: 1169600 17.3454 -43.9341 26.4875 -44.4025 28.3864 18.0693 26.98 14.1679 -57.7832 TIMING: 1169600 CPU: 3389.36, 0.00288894/step Wall: 3389.36, 0.00288894/step, 3.07383 hours remaining, 206.972656 MB of memory in use. ENERGY: 1169600 741.5856 2141.7929 1934.1620 110.3488 -205901.4513 17515.1023 0.0000 0.0000 34192.2328 -149266.2269 298.6093 -183458.4597 -149170.8112 298.7503 -108.2519 -77.9935 560477.5408 -3.9558 -4.0172 PRESSURE: 1169800 -380.294 -204.928 116.761 -204.928 -132.628 -48.8901 116.762 -48.8909 -176.928 GPRESSURE: 1169800 -308.618 -211.941 113.22 -174.373 -106.194 -88.6923 178.232 76.707 -178.968 PRESSAVG: 1169800 100.632 -38.0838 74.0958 -38.0838 -4.77703 2.82263 74.0957 2.8227 -100.89 GPRESSAVG: 1169800 99.3844 -38.5944 73.4089 -38.313 -3.95083 2.41084 75.9646 6.15904 -101.163 TIMING: 1169800 CPU: 3389.94, 0.0029155/step Wall: 3389.94, 0.0029155/step, 3.10193 hours remaining, 206.972656 MB of memory in use. ENERGY: 1169800 732.7445 2096.3073 1927.2736 119.3109 -205778.7478 17477.9701 0.0000 0.0000 34275.5385 -149149.6027 299.3368 -183425.1413 -149056.9001 299.4483 -229.9501 -197.9267 558706.9889 -1.6781 -1.9097 PRESSURE: 1170000 -71.3983 -114.84 2.89827 -114.84 -182.718 38.2482 2.8985 38.2459 -299.116 GPRESSURE: 1170000 -7.05455 -66.5525 -78.5011 -130.734 -192.525 -14.167 15.7619 65.1642 -242.967 PRESSAVG: 1170000 35.6165 25.5359 10.7896 25.5359 -9.96804 26.0831 10.7896 26.0831 -0.775484 GPRESSAVG: 1170000 36.599 25.9362 9.70692 26.2138 -11.5039 29.9903 9.69703 23.4046 -0.654257 TIMING: 1170000 CPU: 3390.53, 0.0029046/step Wall: 3390.53, 0.0029046/step, 3.09017 hours remaining, 206.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1170000 753.8542 2141.1060 1913.8230 121.1226 -205883.6513 17646.6175 0.0000 0.0000 34185.3097 -149121.8184 298.5488 -183307.1280 -149024.2128 299.9639 -184.4108 -147.5156 557981.1525 8.2910 8.1469 PRESSURE: 1170200 -88.2646 -133.427 -102.244 -133.427 -225.844 88.5048 -102.243 88.5051 13.8508 GPRESSURE: 1170200 -84.362 -117.389 -75.3088 -162.573 -133.369 125.998 -165.738 96.3607 31.3851 PRESSAVG: 1170200 54.38 -8.91583 18.3822 -8.91579 13.0171 -33.7976 18.3822 -33.7976 -22.8451 GPRESSAVG: 1170200 53.0953 -8.30239 19.3296 -10.9476 14.4623 -35.9964 17.7751 -32.3001 -23.3108 TIMING: 1170200 CPU: 3391.1, 0.00287572/step Wall: 3391.1, 0.00287572/step, 3.05929 hours remaining, 206.972656 MB of memory in use. ENERGY: 1170200 722.6515 2127.5853 1926.7129 110.9680 -206048.3129 17693.6361 0.0000 0.0000 34205.4648 -149261.2944 298.7248 -183466.7592 -149159.1574 299.3690 -100.0858 -62.1154 558474.2168 14.8506 14.7489 PRESSURE: 1170400 325.304 -57.1912 -208.411 -57.1911 65.8238 -83.2 -208.411 -83.2017 -59.2831 GPRESSURE: 1170400 349.788 -110.264 -246.003 -30.8728 97.6051 -105.682 -217.199 -129.422 -20.0551 PRESSAVG: 1170400 27.8276 -26.6763 36.2383 -26.6762 -2.63938 -24.9274 36.2383 -24.9274 -67.482 GPRESSAVG: 1170400 28.2962 -28.3605 38.009 -25.1896 -4.25051 -24.8342 33.239 -24.799 -67.0049 TIMING: 1170400 CPU: 3391.68, 0.00288572/step Wall: 3391.68, 0.00288572/step, 3.06976 hours remaining, 206.972656 MB of memory in use. ENERGY: 1170400 726.4025 2046.8004 1951.3571 110.0647 -206194.4272 17973.3794 0.0000 0.0000 34190.7197 -149195.7034 298.5961 -183386.4231 -149106.3624 298.9213 110.6149 142.4461 557940.4990 -14.0979 -14.3197 PRESSURE: 1170600 -120.947 113.317 151.34 113.316 67.9564 -22.2078 151.339 -22.2085 -122.879 GPRESSURE: 1170600 -71.8243 204.771 170.605 149.753 85.9879 -11.4792 145.729 -1.2755 -96.4936 PRESSAVG: 1170600 34.5937 36.388 44.3135 36.388 -40.2231 0.841382 44.3137 0.841358 11.1428 GPRESSAVG: 1170600 33.8819 37.4494 45.1775 36.8443 -40.0687 -0.808078 46.5119 -1.25345 11.4897 TIMING: 1170600 CPU: 3392.26, 0.00290015/step Wall: 3392.26, 0.00290015/step, 3.08495 hours remaining, 206.972656 MB of memory in use. ENERGY: 1170600 742.7669 2114.0567 1922.4665 118.5594 -206178.4948 17801.1854 0.0000 0.0000 34186.8800 -149292.5801 298.5625 -183479.4600 -149197.1830 298.8848 -58.6232 -27.4433 558877.0946 1.8378 1.7676 PRESSURE: 1170800 -123.208 197.158 71.8329 197.159 -68.704 -71.4814 71.832 -71.4825 -198.693 GPRESSURE: 1170800 -147.986 166.039 -7.87539 189.008 -25.1705 -33.0139 108.798 -139.118 -127.193 PRESSAVG: 1170800 30.5912 31.4439 -32.5389 31.4439 -42.097 -36.9781 -32.5389 -36.9782 -1.2902 GPRESSAVG: 1170800 30.8109 30.3079 -32.6064 32.0714 -41.5525 -36.4139 -34.3125 -34.4449 -2.06945 TIMING: 1170800 CPU: 3392.85, 0.00293771/step Wall: 3392.85, 0.00293771/step, 3.12475 hours remaining, 206.972656 MB of memory in use. ENERGY: 1170800 757.3986 2156.4723 1941.0946 108.4602 -206206.7013 17540.3497 0.0000 0.0000 34245.5499 -149457.3761 299.0749 -183702.9260 -149370.1268 299.1895 -130.2017 -100.1166 557653.2558 -4.2653 -4.2703 PRESSURE: 1171000 -162.091 21.9553 23.9545 21.955 -94.1703 -207.237 23.954 -207.236 61.83 GPRESSURE: 1171000 -147.494 52.3519 158.202 53.2467 -36.5008 -194.702 52.3827 -228.617 87.404 PRESSAVG: 1171000 -4.67549 -27.2699 -46.43 -27.2699 16.2625 33.569 -46.4299 33.5692 5.58431 GPRESSAVG: 1171000 -5.08419 -28.0737 -49.1388 -27.6035 16.3036 35.8883 -44.7318 31.9664 5.74201 TIMING: 1171000 CPU: 3393.43, 0.00294438/step Wall: 3393.43, 0.00294438/step, 3.13167 hours remaining, 206.972656 MB of memory in use. ENERGY: 1171000 792.2460 2129.4757 1975.3080 115.5272 -206621.7893 18011.4697 0.0000 0.0000 34290.0189 -149307.7439 299.4633 -183597.7628 -149201.8767 299.0523 -64.8106 -32.1968 557641.2506 5.7238 5.6538 PRESSURE: 1171200 -129.836 -35.6481 97.3561 -35.6487 -165.094 147.034 97.3561 147.034 141.773 GPRESSURE: 1171200 -165.896 -105.205 158.131 6.0363 -59.2769 105.147 89.7678 213.003 164.139 PRESSAVG: 1171200 -25.8853 -33.6317 33.1095 -33.6318 -30.133 43.4835 33.1095 43.4835 72.03 GPRESSAVG: 1171200 -25.5698 -31.2289 34.189 -35.734 -29.9641 40.273 33.1585 45.8765 71.4776 TIMING: 1171200 CPU: 3394.02, 0.00293171/step Wall: 3394.02, 0.00293171/step, 3.11804 hours remaining, 206.972656 MB of memory in use. ENERGY: 1171200 742.3220 2037.3526 1937.2147 121.6105 -206367.5837 17917.2911 0.0000 0.0000 34466.5388 -149145.2539 301.0049 -183611.7927 -149052.0365 299.5185 -51.0524 -20.3446 558147.6510 5.3373 5.3145 PRESSURE: 1171400 -279.652 60.515 113.57 60.5127 129.49 -11.7178 113.571 -11.7182 227.832 GPRESSURE: 1171400 -227.19 92.457 50.3925 -40.0286 168.678 39.9217 53.751 -125.373 241.985 PRESSAVG: 1171400 -115.815 13.6591 -1.88134 13.6589 64.5017 49.3275 -1.88127 49.3274 15.9599 GPRESSAVG: 1171400 -115.6 14.8694 -2.06204 14.1708 64.2334 51.6464 -2.64253 45.8933 15.24 TIMING: 1171400 CPU: 3394.6, 0.00290574/step Wall: 3394.6, 0.00290574/step, 3.09026 hours remaining, 206.972656 MB of memory in use. ENERGY: 1171400 761.8073 2080.2915 1952.2730 124.1355 -206032.0606 17954.9126 0.0000 0.0000 34192.5874 -148966.0533 298.6124 -183158.6407 -148874.3252 299.3860 25.8901 61.1577 557941.9665 -11.7844 -12.0421 PRESSURE: 1171600 35.7043 -112.972 -142.569 -112.973 -203.385 59.3666 -142.569 59.367 -173.767 GPRESSURE: 1171600 40.41 -150.463 -155.171 -166.838 -161.175 65.1667 -70.2001 45.0104 -139.715 PRESSAVG: 1171600 -21.723 49.4651 -27.0989 49.465 -28.6757 -22.0313 -27.099 -22.0313 47.837 GPRESSAVG: 1171600 -20.8421 47.9553 -26.9381 48.6177 -30.3724 -22.3303 -28.6379 -20.3062 48.5078 TIMING: 1171600 CPU: 3395.18, 0.002905/step Wall: 3395.18, 0.002905/step, 3.08931 hours remaining, 206.972656 MB of memory in use. ENERGY: 1171600 776.8242 2140.1806 1950.8827 120.9902 -206129.6483 17713.8262 0.0000 0.0000 34221.7650 -149205.1793 298.8672 -183426.9443 -149119.5978 299.4766 -113.8158 -86.8267 557228.8279 -0.8539 -0.9022 PRESSURE: 1171800 -120.076 134.887 25.8054 134.886 151.12 20.4493 25.804 20.4503 -168.966 GPRESSURE: 1171800 -117.832 217.188 139.69 62.4038 208.505 35.195 -12.2513 7.74328 -129.348 PRESSAVG: 1171800 -57.7463 28.9109 -43.4054 28.911 62.9433 -75.8069 -43.4053 -75.8069 3.38017 GPRESSAVG: 1171800 -57.5615 30.7377 -45.138 29.6055 62.8044 -76.2445 -40.1422 -76.5958 3.15134 TIMING: 1171800 CPU: 3395.76, 0.00291153/step Wall: 3395.76, 0.00291153/step, 3.09609 hours remaining, 206.972656 MB of memory in use. ENERGY: 1171800 753.9369 2099.8019 1918.6863 117.8066 -206225.0336 17740.6465 0.0000 0.0000 34220.0603 -149374.0951 298.8523 -183594.1554 -149281.0880 299.9341 -45.9738 -12.8916 556080.0555 2.8591 2.7981 PRESSURE: 1172000 -12.0703 62.5816 11.7483 62.5818 27.1338 -127.655 11.7483 -127.655 -403.428 GPRESSURE: 1172000 26.2774 86.3045 -40.2642 34.7827 8.00668 -145.611 7.19903 -186.166 -320.07 PRESSAVG: 1172000 20.3802 38.3782 16.593 38.3781 15.6838 -3.18869 16.593 -3.18867 -25.4873 GPRESSAVG: 1172000 20.1794 37.8937 16.0953 39.9149 16.5308 -4.1329 15.2624 -2.78741 -25.4841 TIMING: 1172000 CPU: 3396.35, 0.00290872/step Wall: 3396.35, 0.00290872/step, 3.09294 hours remaining, 206.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1172000 714.6317 2161.1144 1937.1800 112.2007 -205857.0018 17362.1900 0.0000 0.0000 34156.2451 -149413.4398 298.2950 -183569.6849 -149320.0509 299.1206 -129.4548 -95.2621 557350.1302 3.5255 3.7420 PRESSURE: 1172200 -52.8056 47.414 81.6162 47.4141 59.8236 12.1801 81.6163 12.1797 50.2193 GPRESSURE: 1172200 -42.2006 100.626 131.058 48.4959 99.7031 -5.55168 84.5934 -10.3662 89.5989 PRESSAVG: 1172200 -36.5828 -22.1337 38.1457 -22.1338 62.3349 -18.4896 38.1457 -18.4895 -34.9156 GPRESSAVG: 1172200 -35.9731 -23.4632 39.3385 -22.5268 62.4586 -17.6809 40.0174 -18.9133 -35.6715 TIMING: 1172200 CPU: 3396.93, 0.00289593/step Wall: 3396.93, 0.00289593/step, 3.07918 hours remaining, 206.972656 MB of memory in use. ENERGY: 1172200 771.8139 2095.1111 1928.1018 105.9122 -205928.1279 17562.6177 0.0000 0.0000 34198.0743 -149266.4968 298.6603 -183464.5711 -149164.5931 299.3038 19.0791 49.0338 555701.1411 -3.0545 -3.0620 LDB: ============= START OF LOAD BALANCING ============== 3400.31 LDB: ============== END OF LOAD BALANCING =============== 3400.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3400.31 LDB: ============= START OF LOAD BALANCING ============== 3400.6 LDB: Largest compute 4820 load 0.025179 is 21.3% of average load 0.117991 LDB: Average compute 0.001697 is 1.4% of average load 0.117991 LDB: TIME 3400.6 LOAD: AVG 0.117991 MAX 0.183778 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 3400.6 LOAD: AVG 0.117991 MAX 0.183778 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: TIME 3400.6 LOAD: AVG 0.117991 MAX 0.183778 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3400.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3400.61 PRESSURE: 1172400 -36.3499 3.84173 32.3694 3.84134 224.004 26.3028 32.3694 26.3025 31.4386 GPRESSURE: 1172400 -22.2238 -34.5987 37.7494 8.03774 278.535 22.5614 66.5521 -31.0529 48.6779 PRESSAVG: 1172400 -12.2543 -12.4865 53.6562 -12.4865 81.8114 -6.1264 53.6563 -6.12643 -24.5887 GPRESSAVG: 1172400 -13.5771 -13.4087 51.2871 -13.1053 82.5649 -6.32254 52.3702 -5.43214 -24.3286 TIMING: 1172400 CPU: 3397.51, 0.00294034/step Wall: 3397.51, 0.00294034/step, 3.12624 hours remaining, 207.273438 MB of memory in use. ENERGY: 1172400 746.5182 2068.5009 1942.8318 108.5480 -206179.8311 17835.0544 0.0000 0.0000 34046.1371 -149432.2408 297.3334 -183478.3779 -149340.2925 299.0369 73.0308 101.6629 556168.0288 14.9895 14.8864 PRESSURE: 1172600 -159.82 -56.9997 -81.9762 -56.9983 -84.6708 -23.2132 -81.9767 -23.2129 -3.55397 GPRESSURE: 1172600 -53.9572 -109.351 -131.239 -50.6218 -82.9897 -13.3331 -35.5864 -87.8423 -4.73396 PRESSAVG: 1172600 34.1095 1.26698 34.8188 1.2669 17.3314 14.8389 34.8188 14.839 28.8363 GPRESSAVG: 1172600 34.8309 2.38961 38.0185 1.65473 16.9134 15.3888 34.4139 13.0659 28.6231 TIMING: 1172600 CPU: 3398.1, 0.00292328/step Wall: 3398.1, 0.00292328/step, 3.10793 hours remaining, 207.476562 MB of memory in use. ENERGY: 1172600 738.4526 2167.4306 1942.9992 112.9521 -206437.4724 17744.5257 0.0000 0.0000 34202.7940 -149528.3181 298.7015 -183731.1122 -149434.1343 298.1391 -82.6816 -47.2270 557245.8192 26.7591 26.7891 PRESSURE: 1172800 111.126 -63.686 -94.0144 -63.684 -162.186 43.0258 -94.0153 43.0268 -193.423 GPRESSURE: 1172800 142.587 -176.357 -173.105 -6.37433 -118.566 -3.25641 -63.3814 78.8261 -173.499 PRESSAVG: 1172800 -27.7658 -22.4925 -15.1615 -22.4926 37.8927 -45.6048 -15.1615 -45.6047 15.2191 GPRESSAVG: 1172800 -27.1524 -23.024 -16.3553 -21.3162 37.426 -46.1476 -16.0778 -44.2964 15.4247 TIMING: 1172800 CPU: 3398.68, 0.00290263/step Wall: 3398.68, 0.00290263/step, 3.08582 hours remaining, 207.476562 MB of memory in use. ENERGY: 1172800 753.0390 2122.0318 1938.6701 113.8561 -206348.4271 17823.1644 0.0000 0.0000 34237.0902 -149360.5755 299.0010 -183597.6657 -149261.2550 298.8071 -81.4942 -49.8260 557943.6662 8.4487 8.5661 PRESSURE: 1173000 -239.178 -142.86 -83.9958 -142.861 -54.5356 40.7266 -83.9966 40.7261 -135.441 GPRESSURE: 1173000 -261.084 -168.553 -172.252 -184.182 -40.3569 90.9156 -71.6406 57.0334 -34.564 PRESSAVG: 1173000 -64.8119 -49.2272 -76.0772 -49.2272 64.2077 -16.8329 -76.0772 -16.833 -1.00414 GPRESSAVG: 1173000 -65.6979 -48.42 -76.4529 -50.1004 64.3227 -14.5733 -74.4473 -18.4127 -0.264954 TIMING: 1173000 CPU: 3399.26, 0.00288801/step Wall: 3399.26, 0.00288801/step, 3.07011 hours remaining, 207.476562 MB of memory in use. ENERGY: 1173000 765.2573 2115.1909 1932.6126 115.8056 -206264.8714 17777.2645 0.0000 0.0000 34125.4431 -149433.2974 298.0260 -183558.7405 -149342.9871 299.4301 -143.0515 -112.0018 559502.6584 -0.5361 -0.5467 PRESSURE: 1173200 -58.5177 9.21307 -33.9754 9.21259 117.589 68.6899 -33.9752 68.6873 -98.5214 GPRESSURE: 1173200 -8.21862 -16.986 -89.9454 3.28572 153.96 79.9047 4.49025 67.0307 -76.7423 PRESSAVG: 1173200 -11.8158 17.1945 -42.1234 17.1945 51.6171 46.7681 -42.1235 46.7682 -77.8036 GPRESSAVG: 1173200 -12.0246 16.1996 -42.5379 16.0579 51.4744 46.8542 -42.9603 46.389 -77.9147 TIMING: 1173200 CPU: 3399.83, 0.00289035/step Wall: 3399.83, 0.00289035/step, 3.07245 hours remaining, 207.531250 MB of memory in use. ENERGY: 1173200 752.5554 2109.8537 1913.8081 118.9575 -206448.2499 17942.2562 0.0000 0.0000 34252.0485 -149358.7704 299.1317 -183610.8189 -149269.6062 299.0257 -13.1499 22.9996 557279.0314 -12.6674 -12.8216 PRESSURE: 1173400 1.66846 56.0924 -3.49889 56.0936 30.4712 12.2431 -3.50031 12.2438 29.9996 GPRESSURE: 1173400 -6.60981 108.479 -8.86159 -47.6938 76.5362 -79.635 0.504055 42.1623 75.1891 PRESSAVG: 1173400 5.61158 43.0709 -50.6708 43.0708 30.7099 82.8178 -50.6708 82.8179 -29.7378 GPRESSAVG: 1173400 5.12414 44.2786 -49.8916 43.3907 30.9549 80.9008 -49.6957 84.2033 -29.2476 TIMING: 1173400 CPU: 3400.42, 0.00291376/step Wall: 3400.42, 0.00291376/step, 3.09716 hours remaining, 207.531250 MB of memory in use. ENERGY: 1173400 730.8768 2104.7204 1941.3947 113.4902 -206184.5740 17843.1116 0.0000 0.0000 34282.6485 -149168.3317 299.3989 -183450.9802 -149065.7710 299.3675 20.7131 48.3718 559001.1460 2.1946 2.2772 PRESSURE: 1173600 36.0896 -65.254 -150.225 -65.2552 -24.8373 90.7002 -150.224 90.6984 -33.3819 GPRESSURE: 1173600 44.0085 -16.2907 -181.546 -34.6479 42.0501 148.302 -98.2083 54.3994 -1.8253 PRESSAVG: 1173600 17.004 16.0869 -39.4358 16.0871 -9.69045 13.5723 -39.4359 13.5724 24.658 GPRESSAVG: 1173600 17.2078 14.5687 -38.4672 14.9929 -8.48026 14.2042 -39.8328 13.5299 23.4689 TIMING: 1173600 CPU: 3401, 0.00290021/step Wall: 3401, 0.00290021/step, 3.08261 hours remaining, 207.531250 MB of memory in use. ENERGY: 1173600 724.9183 2037.3341 1954.2890 119.5596 -206012.8019 17879.5468 0.0000 0.0000 34327.6811 -148969.4730 299.7922 -183297.1541 -148867.5715 299.3326 -7.3765 28.0778 559760.7880 10.6572 10.7321 PRESSURE: 1173800 -90.9257 18.8344 50.6218 18.8335 -130.273 54.1758 50.6228 54.1742 -120.676 GPRESSURE: 1173800 -97.8291 -14.9533 -13.6666 33.3002 -48.0586 78.8038 122.04 -19.3602 -114.587 PRESSAVG: 1173800 -7.13888 59.7772 -33.4334 59.7772 27.2613 18.1136 -33.4334 18.1136 -45.8915 GPRESSAVG: 1173800 -7.30044 62.6153 -33.785 59.706 26.0599 17.1194 -31.8203 17.9669 -44.3916 TIMING: 1173800 CPU: 3401.58, 0.00290147/step Wall: 3401.58, 0.00290147/step, 3.08378 hours remaining, 207.531250 MB of memory in use. ENERGY: 1173800 705.0631 2110.0977 1933.0171 121.1622 -205787.4556 17601.2886 0.0000 0.0000 34329.5222 -148987.3048 299.8083 -183316.8270 -148886.8458 298.9852 -113.9582 -86.8250 558910.9009 -8.5897 -8.5440 PRESSURE: 1174000 6.82337 19.3395 -52.548 19.3388 -164.37 -48.6683 -52.5479 -48.6695 41.7007 GPRESSURE: 1174000 54.6372 71.8099 6.65028 19.9849 -111.871 -45.6374 -67.1752 -28.7781 39.8489 PRESSAVG: 1174000 -28.8642 52.794 6.03383 52.794 15.4871 20.7176 6.03381 20.7176 33.8839 GPRESSAVG: 1174000 -28.1485 50.5899 8.13801 53.7973 15.9237 21.3142 3.98985 20.6177 32.4551 TIMING: 1174000 CPU: 3402.16, 0.00288886/step Wall: 3402.16, 0.00288885/step, 3.07021 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1174000 763.0399 2136.0573 1931.1663 105.7924 -205926.9927 17703.1859 0.0000 0.0000 34295.7136 -148992.0373 299.5130 -183287.7508 -148898.5422 299.8707 -38.6151 -5.7951 557828.2012 6.8356 6.7434 PRESSURE: 1174200 57.0405 141.31 2.69577 141.31 26.022 -66.4583 2.69682 -66.4578 47.0207 GPRESSURE: 1174200 111.004 70.9965 -60.1767 172.26 43.7987 -54.2428 58.1769 25.2279 73.565 PRESSAVG: 1174200 63.5768 -8.86758 49.8471 -8.86771 -56.4713 -29.8959 49.8472 -29.8959 -10.8031 GPRESSAVG: 1174200 62.8117 -8.79106 46.7728 -9.3383 -56.7696 -28.3779 50.427 -30.0131 -10.2987 TIMING: 1174200 CPU: 3402.73, 0.00288816/step Wall: 3402.73, 0.00288816/step, 3.06931 hours remaining, 207.531250 MB of memory in use. ENERGY: 1174200 741.4786 2045.6493 1950.7579 103.1374 -205794.4962 17674.4043 0.0000 0.0000 34258.4713 -149020.5974 299.1878 -183279.0687 -148928.3301 299.8875 43.3611 76.1226 557027.6586 -1.2326 -1.4189 PRESSURE: 1174400 -168.582 156.066 -74.9346 156.067 -68.6484 -114.921 -74.9336 -114.921 -93.5286 GPRESSURE: 1174400 -115.726 176.205 -28.4558 86.5686 -12.4471 -89.2194 -72.7769 -132.354 -111.184 PRESSAVG: 1174400 12.0849 15.4786 1.81213 15.4786 26.9094 -4.35209 1.81218 -4.3521 -12.4084 GPRESSAVG: 1174400 11.9165 14.9712 1.30321 15.9226 27.2636 -6.15112 1.6686 -3.74064 -12.5847 TIMING: 1174400 CPU: 3403.31, 0.00289391/step Wall: 3403.31, 0.00289391/step, 3.07526 hours remaining, 207.531250 MB of memory in use. ENERGY: 1174400 760.5133 2091.5693 1910.7570 113.1840 -205924.5451 17643.4205 0.0000 0.0000 34413.1145 -148991.9862 300.5383 -183405.1008 -148893.1867 299.9734 -110.2531 -79.7859 559270.6886 8.8619 8.8651 PRESSURE: 1174600 -212.999 -109.785 -24.8831 -109.786 131.039 -51.5631 -24.8839 -51.5607 -73.8395 GPRESSURE: 1174600 -178.617 -84.1117 -48.7663 -130.821 110.349 -186.208 44.3512 -1.78677 -12.4671 PRESSAVG: 1174600 -25.2196 -39.7508 17.0779 -39.7507 -17.9926 45.9749 17.0779 45.9749 40.1721 GPRESSAVG: 1174600 -26.3595 -39.8124 19.6524 -39.827 -18.8114 46.9006 16.6033 45.9995 41.5622 TIMING: 1174600 CPU: 3403.9, 0.00292228/step Wall: 3403.9, 0.00292227/step, 3.10524 hours remaining, 207.531250 MB of memory in use. ENERGY: 1174600 677.6961 2084.9974 1931.7814 98.9050 -205784.2489 17610.1279 0.0000 0.0000 34297.4805 -149083.2607 299.5284 -183380.7411 -148976.8480 300.2461 -51.9332 -26.9117 557140.9932 -1.0133 -1.2029 PRESSURE: 1174800 -213.335 -108.374 34.1899 -108.373 144.81 3.73621 34.1902 3.73546 -43.1327 GPRESSURE: 1174800 -228.754 -35.3634 24.0853 -107.691 225.61 -38.8355 76.3843 -10.0628 -12.3504 PRESSAVG: 1174800 -42.466 -13.6472 15.2508 -13.6471 21.7683 -8.45537 15.2508 -8.45538 1.31555 GPRESSAVG: 1174800 -42.2321 -12.704 15.0779 -12.9401 21.2349 -8.66998 14.857 -11.0807 0.819403 TIMING: 1174800 CPU: 3404.48, 0.00292763/step Wall: 3404.48, 0.00292763/step, 3.11077 hours remaining, 207.664062 MB of memory in use. ENERGY: 1174800 760.9323 2131.7731 1920.0888 101.8348 -205614.9241 17615.4154 0.0000 0.0000 34101.9646 -148982.9151 297.8209 -183084.8797 -148888.6128 299.6078 -37.2190 -5.1648 558521.2330 -6.4607 -6.7259 PRESSURE: 1175000 175.639 98.9683 102.318 98.9679 148.836 9.43665 102.319 9.43665 193.905 GPRESSURE: 1175000 183.853 68.4072 33.5081 149.899 222.294 0.747027 117.165 -5.12657 208.768 PRESSAVG: 1175000 -49.1112 -49.131 -1.46203 -49.1311 0.629404 20.0825 -1.46201 20.0825 32.3916 GPRESSAVG: 1175000 -48.0503 -50.6351 -2.69046 -46.5257 0.852918 19.7028 -0.541507 22.4835 31.6109 TIMING: 1175000 CPU: 3405.06, 0.0028967/step Wall: 3405.06, 0.0028967/step, 3.07774 hours remaining, 207.664062 MB of memory in use. ENERGY: 1175000 743.5159 2095.7231 1924.2674 122.6108 -206341.4536 17949.0853 0.0000 0.0000 34398.9450 -149107.3061 300.4145 -183506.2511 -149014.8612 299.2939 172.7933 204.9719 556631.1347 -5.3634 -5.1955 PRESSURE: 1175200 -271.827 -2.51733 -51.0604 -2.51757 -92.5717 82.3433 -51.0589 82.343 39.6185 GPRESSURE: 1175200 -242.057 -24.3748 -127.697 -68.515 -57.6199 105.946 -27.9347 93.0672 72.934 PRESSAVG: 1175200 -32.6315 40.743 70.1502 40.743 15.6004 -48.3396 70.1502 -48.3395 10.0244 GPRESSAVG: 1175200 -33.1813 41.3073 70.6698 38.708 16.7327 -47.8091 68.9564 -49.5632 9.97066 TIMING: 1175200 CPU: 3405.65, 0.00291964/step Wall: 3405.65, 0.00291964/step, 3.10195 hours remaining, 207.664062 MB of memory in use. ENERGY: 1175200 765.0128 2120.6688 1928.4804 117.4426 -206128.5494 17774.2314 0.0000 0.0000 34404.7975 -149017.9159 300.4657 -183422.7134 -148925.5201 299.9419 -108.2602 -75.5810 557686.4051 -2.3356 -2.1593 PRESSURE: 1175400 -93.6482 97.4283 77.6488 97.4288 -5.91844 -4.20335 77.6492 -4.20442 -161.146 GPRESSURE: 1175400 -57.6268 44.1112 80.8287 19.9176 -34.6959 -8.07273 152.742 16.3427 -67.3599 PRESSAVG: 1175400 -63.5878 41.2315 -20.7494 41.2314 51.2508 41.4511 -20.7494 41.4511 -23.1045 GPRESSAVG: 1175400 -63.5621 43.3721 -21.9767 41.9716 50.2156 41.8623 -19.0094 40.2453 -22.6294 TIMING: 1175400 CPU: 3406.23, 0.002901/step Wall: 3406.23, 0.002901/step, 3.08199 hours remaining, 207.664062 MB of memory in use. ENERGY: 1175400 734.1837 2106.7339 1942.1145 120.8394 -206291.4259 17766.2580 0.0000 0.0000 34360.1940 -149261.1024 300.0761 -183621.2964 -149170.7255 299.0972 -86.9041 -53.2275 557132.9498 -11.8138 -11.9920 PRESSURE: 1175600 -236.165 8.84228 158.313 8.84301 82.0698 -22.9589 158.315 -22.9596 85.5678 GPRESSURE: 1175600 -131.701 38.5756 99.9056 -76.799 52.102 -95.8804 118.606 -70.8641 100.715 PRESSAVG: 1175600 -29.2019 7.61819 7.544 7.61817 -46.1419 21.5613 7.54405 21.5613 78.8312 GPRESSAVG: 1175600 -29.7413 4.27734 9.2573 5.7954 -45.0067 20.2626 6.22134 22.7443 78.3229 TIMING: 1175600 CPU: 3406.8, 0.00289087/step Wall: 3406.8, 0.00289087/step, 3.07107 hours remaining, 207.664062 MB of memory in use. ENERGY: 1175600 755.9826 2096.7502 1937.2678 110.6092 -206120.8843 17713.7907 0.0000 0.0000 34095.8737 -149410.6100 297.7677 -183506.4838 -149319.2142 298.3887 -22.8425 7.0387 558024.4502 1.1625 1.1917 PRESSURE: 1175800 -156.545 -0.671262 51.6704 -0.671504 -189.641 -1.51498 51.6718 -1.51627 -166.028 GPRESSURE: 1175800 -111.685 1.96853 56.4331 -4.31645 -145.173 37.3529 -37.7629 10.3003 -146.987 PRESSAVG: 1175800 -58.412 -42.3069 -21.609 -42.3069 8.5139 50.2893 -21.609 50.2894 74.962 GPRESSAVG: 1175800 -57.3766 -39.9931 -22.3622 -42.0256 7.57025 52.8266 -21.4244 49.5817 74.4713 TIMING: 1175800 CPU: 3407.38, 0.0028741/step Wall: 3407.38, 0.0028741/step, 3.05309 hours remaining, 207.664062 MB of memory in use. ENERGY: 1175800 713.5038 2106.7731 1945.0231 115.2308 -206293.9873 17672.0472 0.0000 0.0000 34356.2145 -149385.1948 300.0414 -183741.4093 -149289.4089 298.5820 -170.7380 -134.6147 558491.5404 8.3546 8.2217 PRESSURE: 1176000 -166.742 -21.7884 -38.598 -21.7882 -206.171 23.4451 -38.5977 23.4451 -6.6222 GPRESSURE: 1176000 -145.233 -64.1077 1.48158 79.8881 -142.786 58.6063 -47.9467 131.837 7.93501 PRESSAVG: 1176000 25.0548 46.3111 26.0596 46.3111 25.8117 1.48388 26.0597 1.48394 -47.4627 GPRESSAVG: 1176000 25.4611 45.0433 25.5105 47.7387 25.5257 -1.82326 26.208 4.66511 -48.1677 TIMING: 1176000 CPU: 3407.96, 0.00291033/step Wall: 3407.96, 0.00291034/step, 3.09142 hours remaining, 207.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1176000 757.0242 2146.8618 1937.6488 115.5067 -206237.3396 17771.7935 0.0000 0.0000 34023.8561 -149484.6485 297.1388 -183508.5046 -149388.8210 298.3731 -126.5117 -93.3615 557961.7700 1.1346 0.9397 PRESSURE: 1176200 -19.4526 62.6155 -29.4439 62.6146 230.996 11.7962 -29.4453 11.7959 -221.681 GPRESSURE: 1176200 23.2878 91.3744 -40.6304 136.102 211.753 110.665 -9.47123 -33.8852 -142.508 PRESSAVG: 1176200 8.8561 43.6979 -21.069 43.698 39.6627 -33.4346 -21.069 -33.4346 -54.8733 GPRESSAVG: 1176200 7.6513 45.7659 -21.3517 43.184 40.0185 -30.4046 -21.1245 -34.649 -53.9531 TIMING: 1176200 CPU: 3408.54, 0.00289764/step Wall: 3408.54, 0.00289764/step, 3.07778 hours remaining, 207.664062 MB of memory in use. ENERGY: 1176200 749.8308 2111.3713 1944.1358 105.0665 -206454.9871 17835.1517 0.0000 0.0000 34337.4714 -149371.9596 299.8777 -183709.4310 -149277.4928 298.2887 -3.3793 30.8443 556821.9498 -2.1182 -2.0944 LDB: ============= START OF LOAD BALANCING ============== 3411.93 LDB: ============== END OF LOAD BALANCING =============== 3411.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3411.93 LDB: ============= START OF LOAD BALANCING ============== 3412.22 LDB: Largest compute 4820 load 0.024568 is 20.8% of average load 0.117921 LDB: Average compute 0.001700 is 1.4% of average load 0.117921 LDB: TIME 3412.22 LOAD: AVG 0.117921 MAX 0.185274 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.695 MB LDB: TIME 3412.22 LOAD: AVG 0.117921 MAX 0.185274 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.695 MB LDB: TIME 3412.22 LOAD: AVG 0.117921 MAX 0.185274 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.695 MB LDB: ============== END OF LOAD BALANCING =============== 3412.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3412.23 PRESSURE: 1176400 -186.176 -16.0513 177.28 -16.0509 -152.038 -25.3172 177.28 -25.3169 0.957483 GPRESSURE: 1176400 -167.169 -5.90722 163.233 23.5479 -33.1028 -106.266 115.121 -86.7855 -51.4553 PRESSAVG: 1176400 -58.3647 60.4571 31.8453 60.4571 -22.1878 -8.79638 31.8452 -8.79638 47.1845 GPRESSAVG: 1176400 -58.9908 58.0284 33.6411 60.1807 -22.1337 -10.6017 30.9983 -8.91367 47.8504 TIMING: 1176400 CPU: 3409.13, 0.0029722/step Wall: 3409.13, 0.0029722/step, 3.1568 hours remaining, 206.773438 MB of memory in use. ENERGY: 1176400 771.4200 2093.1920 1936.4473 121.8428 -206417.4443 17780.3917 0.0000 0.0000 34364.6759 -149349.4747 300.1153 -183714.1506 -149249.2707 298.7578 -112.4191 -83.9089 556821.0746 -11.1227 -11.0914 PRESSURE: 1176600 -282.218 68.3818 -2.81236 68.3814 -40.1101 -52.4951 -2.81132 -52.4944 -53.4988 GPRESSURE: 1176600 -256.06 117.326 -11.001 61.6768 -16.3464 7.0936 0.40811 29.8663 -15.4037 PRESSAVG: 1176600 -13.3599 14.6087 18.8228 14.6087 -50.0898 2.9335 18.8228 2.93351 41.8044 GPRESSAVG: 1176600 -10.8316 16.45 16.7672 14.1196 -51.3267 3.01594 19.8022 2.90008 40.3603 TIMING: 1176600 CPU: 3409.72, 0.0029206/step Wall: 3409.72, 0.0029206/step, 3.10184 hours remaining, 206.972656 MB of memory in use. ENERGY: 1176600 736.9638 2127.2889 1929.9270 121.5035 -206203.5284 17749.0858 0.0000 0.0000 33990.1820 -149548.5774 296.8447 -183538.7594 -149456.6800 298.6385 -125.2756 -95.9368 558775.3017 -7.2151 -7.2660 PRESSURE: 1176800 -29.2733 -62.526 28.4551 -62.5257 -249.683 157.262 28.4545 157.262 -393.611 GPRESSURE: 1176800 -32.4313 -41.9349 3.14466 -165.029 -183.013 89.9587 -21.3132 182.85 -367.585 PRESSAVG: 1176800 -47.7534 -38.0104 69.0612 -38.0104 60.0741 -12.1477 69.0612 -12.1477 5.63037 GPRESSAVG: 1176800 -48.6681 -36.0415 69.3869 -38.2059 61.0486 -11.7903 67.9765 -13.0795 5.09193 TIMING: 1176800 CPU: 3410.3, 0.00290701/step Wall: 3410.3, 0.00290701/step, 3.08725 hours remaining, 206.972656 MB of memory in use. ENERGY: 1176800 795.9925 2122.3591 1944.5905 103.2170 -206387.4521 17864.5889 0.0000 0.0000 33871.9326 -149684.7716 295.8120 -183556.7042 -149597.4530 297.3271 -224.1894 -194.3432 558210.9753 5.9837 5.8242 PRESSURE: 1177000 -123.46 92.6703 123.653 92.6691 -156.789 69.4592 123.653 69.4599 -111.41 GPRESSURE: 1177000 -144.673 153.599 210.873 -12.3449 -79.4848 39.3337 104.306 25.0506 -70.5147 PRESSAVG: 1177000 9.6055 30.3146 19.0694 30.3145 -12.2204 40.4951 19.0693 40.4951 -30.7936 GPRESSAVG: 1177000 8.63484 28.1332 19.9813 31.7531 -12.8704 40.3368 19.57 42.5406 -29.2675 TIMING: 1177000 CPU: 3410.88, 0.00290218/step Wall: 3410.88, 0.00290218/step, 3.08195 hours remaining, 206.972656 MB of memory in use. ENERGY: 1177000 707.4361 2086.3689 1933.3213 109.1304 -206267.8214 17755.8690 0.0000 0.0000 34057.6008 -149618.0949 297.4335 -183675.6957 -149529.6018 297.1232 -130.5530 -98.2243 557442.7225 -11.1361 -11.1677 PRESSURE: 1177200 -112.663 -89.286 80.7816 -89.286 -270.606 41.3646 80.7813 41.3647 -155.266 GPRESSURE: 1177200 -80.6758 -14.2873 -9.17261 -143.704 -236.619 47.3078 71.4404 19.8574 -135.025 PRESSAVG: 1177200 5.08219 -10.2301 13.9886 -10.23 10.5352 -6.80162 13.9885 -6.80169 12.054 GPRESSAVG: 1177200 6.29655 -10.0394 14.2915 -11.0415 10.6852 -6.69271 12.6542 -7.7388 11.367 TIMING: 1177200 CPU: 3411.46, 0.0029024/step Wall: 3411.46, 0.0029024/step, 3.08202 hours remaining, 206.972656 MB of memory in use. ENERGY: 1177200 711.4316 2095.1163 1945.5412 100.7302 -206227.1064 17707.4340 0.0000 0.0000 34053.7541 -149613.0990 297.3999 -183666.8531 -149516.7021 298.0130 -179.5118 -150.7734 558712.7057 9.2238 9.4496 PRESSURE: 1177400 -163.791 152.009 -40.0779 152.01 -310.576 33.7911 -40.0762 33.789 -193.425 GPRESSURE: 1177400 -107.298 174.319 -56.1677 148.237 -266.731 29.6729 -91.3872 4.93591 -177.189 PRESSAVG: 1177400 0.847742 46.8401 -9.36343 46.84 5.62783 37.4963 -9.36336 37.4963 -9.74063 GPRESSAVG: 1177400 -0.0903305 46.6351 -10.7231 48.0343 7.20912 39.3435 -7.59362 36.1892 -10.4424 TIMING: 1177400 CPU: 3412.04, 0.00287739/step Wall: 3412.04, 0.00287739/step, 3.0553 hours remaining, 206.972656 MB of memory in use. ENERGY: 1177400 770.7044 2138.2186 1958.0399 113.0500 -206338.3728 17625.9971 0.0000 0.0000 34241.6706 -149490.6922 299.0410 -183732.3628 -149386.9705 298.6155 -222.5972 -183.7394 556345.3487 -1.0884 -1.1079 PRESSURE: 1177600 168.561 112.526 13.6675 112.527 68.5549 32.8911 13.6668 32.8917 -223.709 GPRESSURE: 1177600 224.763 31.0116 23.4814 147.535 67.3361 33.5228 46.1081 -44.1901 -185.336 PRESSAVG: 1177600 46.831 -7.01397 -8.34222 -7.01396 33.5964 1.53418 -8.34224 1.53427 -59.7518 GPRESSAVG: 1177600 46.2667 -7.0557 -8.93745 -8.14797 33.174 -0.200211 -8.80984 2.578 -59.1004 TIMING: 1177600 CPU: 3412.61, 0.00287851/step Wall: 3412.61, 0.00287851/step, 3.05634 hours remaining, 206.972656 MB of memory in use. ENERGY: 1177600 734.0130 2124.1144 1930.9285 112.2248 -206461.5653 17805.1041 0.0000 0.0000 34159.1645 -149596.0160 298.3205 -183755.1805 -149498.1439 297.8814 4.4690 35.5878 556518.6341 6.8919 6.7801 PRESSURE: 1177800 -25.8735 -27.901 -130.091 -27.9 -141.099 9.42054 -130.091 9.42054 -69.6117 GPRESSURE: 1177800 13.3305 -31.5835 -81.807 -21.3892 -98.9789 99.9084 -207.628 -7.67706 -58.4473 PRESSAVG: 1177800 89.5027 9.87982 -4.92583 9.87983 14.7973 -16.1048 -4.92586 -16.1048 -89.3002 GPRESSAVG: 1177800 90.4417 9.71332 -4.33533 7.11827 13.8938 -14.5454 -4.13205 -15.2229 -89.6284 TIMING: 1177800 CPU: 3413.19, 0.00290178/step Wall: 3413.19, 0.00290178/step, 3.08088 hours remaining, 206.972656 MB of memory in use. ENERGY: 1177800 754.9302 2108.5307 1938.6416 121.9975 -206185.4814 17687.0168 0.0000 0.0000 34123.5045 -149450.8601 298.0091 -183574.3646 -149357.0107 297.9265 -78.8614 -48.0319 558311.3454 4.9999 4.9024 PRESSURE: 1178000 128.067 85.5956 17.3033 85.5952 94.8128 23.9462 17.3042 23.9465 99.7143 GPRESSURE: 1178000 148.332 64.6775 -6.41636 59.486 126.512 -16.5584 -8.98088 38.0255 137.577 PRESSAVG: 1178000 48.8559 6.49919 -30.1004 6.49923 -8.2963 14.2108 -30.1004 14.2109 -22.3415 GPRESSAVG: 1178000 49.4859 7.82591 -28.5005 7.68557 -8.65593 13.3446 -32.566 14.0471 -22.8664 TIMING: 1178000 CPU: 3413.77, 0.00289165/step Wall: 3413.77, 0.00289165/step, 3.06997 hours remaining, 206.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1178000 753.9883 2133.1053 1925.1831 121.4751 -206600.4388 17950.3197 0.0000 0.0000 34212.9950 -149503.3725 298.7906 -183716.3675 -149408.6197 298.1617 107.5312 137.4735 555736.6592 6.0727 5.9879 PRESSURE: 1178200 45.0344 -31.2336 48.5034 -31.2335 -239.314 124.839 48.5036 124.839 -90.8935 GPRESSURE: 1178200 39.0285 -15.5982 -34.0171 -71.8343 -186.414 41.4956 67.353 102.282 -37.9417 PRESSAVG: 1178200 11.2108 18.6044 -57.2208 18.6045 -28.5106 56.169 -57.2209 56.1689 -20.1101 GPRESSAVG: 1178200 10.8651 17.9732 -58.4959 18.2914 -27.3456 54.1297 -55.0586 56.0669 -20.6521 TIMING: 1178200 CPU: 3414.35, 0.00288671/step Wall: 3414.35, 0.00288671/step, 3.06456 hours remaining, 206.972656 MB of memory in use. ENERGY: 1178200 736.6706 2096.9378 1949.7171 107.7564 -206076.1061 17635.8133 0.0000 0.0000 34073.1497 -149476.0612 297.5693 -183549.2109 -149380.9908 298.3224 -95.0575 -61.7756 557741.8820 -12.4700 -12.3775 PRESSURE: 1178400 -70.9309 97.7592 -44.8349 97.7605 -68.5528 -35.6683 -44.8353 -35.6683 -61.0668 GPRESSURE: 1178400 -86.1903 108.022 -77.4293 78.6959 12.5557 -36.9651 -97.0361 -56.2566 -27.5086 PRESSAVG: 1178400 5.59801 26.6964 2.60977 26.6964 -84.825 67.621 2.60977 67.6209 96.8792 GPRESSAVG: 1178400 4.50834 26.1978 3.82528 27.4723 -84.5352 68.1655 2.25931 68.0934 98.0054 TIMING: 1178400 CPU: 3414.93, 0.00289919/step Wall: 3414.93, 0.00289919/step, 3.07765 hours remaining, 206.972656 MB of memory in use. ENERGY: 1178400 711.9325 2126.3275 1938.9103 115.0701 -206414.6194 17869.0570 0.0000 0.0000 33987.0137 -149666.3083 296.8170 -183653.3220 -149571.2082 298.3416 -66.8502 -33.7144 556858.6009 5.8841 5.9928 PRESSURE: 1178600 180.956 175.434 -141.277 175.433 -93.9317 163.36 -141.277 163.36 142.64 GPRESSURE: 1178600 172.161 61.3251 -145.095 208.581 -64.2008 254.995 -88.8812 82.5776 215.13 PRESSAVG: 1178600 12.94 -22.214 19.0851 -22.214 2.55831 34.246 19.0851 34.246 28.3349 GPRESSAVG: 1178600 12.8747 -21.191 16.9597 -22.6711 3.01915 35.52 21.4643 33.8603 27.8808 TIMING: 1178600 CPU: 3415.51, 0.00290531/step Wall: 3415.51, 0.00290531/step, 3.08398 hours remaining, 207.007812 MB of memory in use. ENERGY: 1178600 715.4999 2114.6866 1945.3538 111.0634 -206447.3788 17917.5309 0.0000 0.0000 34043.6646 -149599.5795 297.3118 -183643.2441 -149503.9124 298.0985 76.5548 107.6969 555803.7840 14.6111 14.5915 PRESSURE: 1178800 -96.2506 -2.95478 0.336651 -2.95466 -41.6086 -68.1994 0.337303 -68.2018 -178.126 GPRESSURE: 1178800 -73.226 9.63034 8.93315 -1.33121 -2.81639 -69.0453 -46.3016 -48.7359 -155.336 PRESSAVG: 1178800 -4.81015 -13.6718 -32.5164 -13.6717 9.16949 -2.21452 -32.5164 -2.21454 -8.94906 GPRESSAVG: 1178800 -4.45768 -15.108 -31.3095 -12.5581 7.87408 -4.18657 -34.314 -2.52683 -8.13844 TIMING: 1178800 CPU: 3416.09, 0.00290529/step Wall: 3416.09, 0.00290529/step, 3.08381 hours remaining, 207.007812 MB of memory in use. ENERGY: 1178800 726.6573 2092.2449 1943.3142 120.3106 -206273.4011 17633.5451 0.0000 0.0000 34108.2464 -149649.0826 297.8758 -183757.3290 -149552.3891 297.8461 -105.3283 -77.1261 556832.0637 -1.5299 -1.5740 PRESSURE: 1179000 -96.4627 62.691 93.6818 62.6894 -111.552 230.801 93.6812 230.801 87.0481 GPRESSURE: 1179000 -30.0738 22.8983 89.9179 4.96517 -62.5105 241.226 117.661 171.73 71.1073 PRESSAVG: 1179000 -6.28122 -1.16212 -13.0945 -1.16211 26.7189 45.0007 -13.0946 45.0007 -21.5865 GPRESSAVG: 1179000 -5.39312 -0.452854 -12.537 -2.95025 26.7722 46.0042 -14.2574 44.4394 -22.2211 TIMING: 1179000 CPU: 3416.67, 0.00289815/step Wall: 3416.67, 0.00289815/step, 3.07607 hours remaining, 207.007812 MB of memory in use. ENERGY: 1179000 757.0204 2062.0151 1925.3834 108.9462 -206527.1050 17864.0631 0.0000 0.0000 34065.1315 -149744.5454 297.4993 -183809.6768 -149652.2751 297.8577 -40.3222 -7.1590 556330.7946 -0.3829 -0.2807 PRESSURE: 1179200 325.393 -29.9507 172.727 -29.9495 251.775 -31.6747 172.726 -31.6737 222.902 GPRESSURE: 1179200 371.708 -4.68648 268.678 -18.6614 263.46 -102.559 112.677 51.9559 274.046 PRESSAVG: 1179200 34.2254 12.2936 46.081 12.2936 -37.7395 45.9574 46.081 45.9574 11.266 GPRESSAVG: 1179200 33.6161 11.0606 45.962 14.5336 -37.2959 46.8527 48.0122 45.4309 11.4718 TIMING: 1179200 CPU: 3417.25, 0.00290791/step Wall: 3417.25, 0.00290791/step, 3.08626 hours remaining, 207.007812 MB of memory in use. ENERGY: 1179200 696.4431 2116.0595 1941.3500 113.3018 -206666.1569 18105.0157 0.0000 0.0000 34066.1291 -149627.8578 297.5080 -183693.9869 -149531.2799 297.7859 266.6899 303.0711 556773.8963 2.5840 2.5973 PRESSURE: 1179400 -43.059 -39.5859 -148.495 -39.5862 149.879 137.258 -148.495 137.258 -118.599 GPRESSURE: 1179400 38.9221 -49.8508 -152.694 -106.07 144.919 101.705 -213.331 138.067 -110.151 PRESSAVG: 1179400 9.47196 8.90186 -20.5398 8.90177 -26.4706 47.1993 -20.5398 47.1992 24.2031 GPRESSAVG: 1179400 9.85028 10.1462 -21.3905 8.2813 -26.4144 47.8461 -21.0094 46.9748 23.6538 TIMING: 1179400 CPU: 3417.83, 0.00289931/step Wall: 3417.83, 0.00289931/step, 3.07697 hours remaining, 207.007812 MB of memory in use. ENERGY: 1179400 694.9960 2082.7970 1933.6054 95.7361 -206602.6529 18001.0619 0.0000 0.0000 34071.2064 -149723.2500 297.5523 -183794.4564 -149630.5012 298.0541 -3.9262 24.5634 558158.5656 2.4015 2.3632 PRESSURE: 1179600 -157.489 -71.7353 187.603 -71.7364 -141.373 -106.176 187.604 -106.177 88.3821 GPRESSURE: 1179600 -94.9812 -119.346 162.649 -51.845 -107.816 -46.0345 153.014 -194.39 102.925 PRESSAVG: 1179600 -22.017 14.6401 -32.5783 14.6402 27.8352 15.9194 -32.5783 15.9193 -28.7709 GPRESSAVG: 1179600 -22.524 14.9625 -31.7095 15.7504 27.2617 15.0216 -34.4505 16.5213 -27.5704 TIMING: 1179600 CPU: 3418.41, 0.00290968/step Wall: 3418.41, 0.00290968/step, 3.08782 hours remaining, 207.007812 MB of memory in use. ENERGY: 1179600 705.3793 2110.2159 1910.1217 106.2369 -206233.2217 17695.5459 0.0000 0.0000 33925.9222 -149779.7998 296.2835 -183705.7220 -149681.0657 296.9647 -70.1600 -33.2907 558996.6120 -7.6509 -7.6109 PRESSURE: 1179800 65.8399 -42.3376 -30.9365 -42.3376 -282.595 146.311 -30.9365 146.311 -71.2364 GPRESSURE: 1179800 49.5339 -73.8271 -34.5852 -42.423 -227.591 168.533 -76.3637 115.322 -18.4269 PRESSAVG: 1179800 55.7357 10.8921 0.720386 10.8921 49.7335 0.842802 0.720349 0.842822 -65.74 GPRESSAVG: 1179800 55.7432 11.501 1.10873 11.0524 50.3677 -2.43917 1.99686 2.46479 -66.472 TIMING: 1179800 CPU: 3418.99, 0.00287907/step Wall: 3418.99, 0.00287907/step, 3.05517 hours remaining, 207.007812 MB of memory in use. ENERGY: 1179800 734.4380 2105.1831 1950.8311 109.0369 -206249.5888 17638.0083 0.0000 0.0000 34002.9897 -149709.1016 296.9566 -183712.0913 -149611.4396 297.5689 -95.9971 -65.4946 557745.9680 13.2431 13.2130 PRESSURE: 1180000 209.954 83.283 161.546 83.2816 -69.53 192.259 161.546 192.26 -17.008 GPRESSURE: 1180000 219.154 119.618 210.987 9.17905 -49.6885 263.664 144.957 108.931 49.0236 PRESSAVG: 1180000 10.9365 60.8939 -11.574 60.8939 -53.0755 25.7024 -11.574 25.7024 2.7985 GPRESSAVG: 1180000 11.2809 63.055 -12.5586 59.7469 -53.5403 29.4391 -11.0984 23.403 2.68895 TIMING: 1180000 CPU: 3419.57, 0.00289631/step Wall: 3419.57, 0.00289631/step, 3.07331 hours remaining, 207.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1180000 724.0419 2178.1701 1939.5522 113.3003 -206817.8750 18128.2364 0.0000 0.0000 34081.2640 -149653.3101 297.6402 -183734.5741 -149558.8573 297.9273 41.1386 72.8295 558284.8444 -13.1135 -13.1901 PRESSURE: 1180200 236.685 -82.3134 -137.88 -82.314 130.615 -123.532 -137.88 -123.533 199.122 GPRESSURE: 1180200 253.733 -37.0328 -96.966 -97.0343 160.138 -73.897 -126.532 -179.293 244.838 PRESSAVG: 1180200 50.6357 28.3978 5.99281 28.3978 22.5846 36.3267 5.9928 36.3268 -57.0077 GPRESSAVG: 1180200 50.5494 27.7965 4.17617 28.3277 23.3509 35.6356 6.39676 36.0868 -57.1794 TIMING: 1180200 CPU: 3420.15, 0.0029124/step Wall: 3420.15, 0.0029124/step, 3.09022 hours remaining, 207.007812 MB of memory in use. ENERGY: 1180200 753.0783 2082.4941 1904.5618 103.7603 -206607.8563 18065.2170 0.0000 0.0000 34193.9380 -149504.8068 298.6242 -183698.7448 -149413.1862 298.1231 188.8074 219.5696 556358.0821 5.4042 5.5736 LDB: ============= START OF LOAD BALANCING ============== 3423.54 LDB: ============== END OF LOAD BALANCING =============== 3423.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3423.54 LDB: ============= START OF LOAD BALANCING ============== 3423.83 LDB: Largest compute 4792 load 0.022898 is 19.4% of average load 0.117916 LDB: Average compute 0.001703 is 1.4% of average load 0.117916 LDB: TIME 3423.83 LOAD: AVG 0.117916 MAX 0.188066 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.52 MB LDB: TIME 3423.83 LOAD: AVG 0.117916 MAX 0.188066 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: TIME 3423.83 LOAD: AVG 0.117916 MAX 0.188066 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3423.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3423.84 PRESSURE: 1180400 176.751 30.8606 -152.958 30.8608 -150.879 78.9614 -152.957 78.9617 -40.7522 GPRESSURE: 1180400 197.032 -13.9794 -143.953 -26.6327 -94.8607 60.8918 -201.02 84.9963 -23.1594 PRESSAVG: 1180400 47.0014 -60.0113 4.78318 -60.0113 -11.1989 -76.4122 4.78321 -76.4122 0.145633 GPRESSAVG: 1180400 46.9351 -60.7924 7.83389 -58.5632 -11.8124 -77.2601 4.02023 -75.5928 0.786498 TIMING: 1180400 CPU: 3420.74, 0.00297057/step Wall: 3420.74, 0.00297057/step, 3.15178 hours remaining, 205.550781 MB of memory in use. ENERGY: 1180400 729.6978 2093.8277 1907.8154 113.6786 -206416.5522 17819.8275 0.0000 0.0000 34157.2023 -149594.5030 298.3033 -183751.7053 -149496.8899 298.1457 -4.9598 26.3373 557389.3653 11.9827 11.9697 PRESSURE: 1180600 -172.403 -207.492 48.9876 -207.492 22.5411 174.823 48.988 174.823 -127.308 GPRESSURE: 1180600 -168.134 -247.566 44.4703 -142.866 23.0136 178.601 52.5584 151.956 -27.9576 PRESSAVG: 1180600 -0.627672 -42.1313 45.6915 -42.1313 -12.7816 -18.488 45.6916 -18.488 34.7108 GPRESSAVG: 1180600 -0.0619595 -44.144 45.941 -43.6034 -13.0726 -19.6337 44.4028 -15.5219 34.1527 TIMING: 1180600 CPU: 3421.33, 0.00291164/step Wall: 3421.33, 0.00291164/step, 3.08909 hours remaining, 205.550781 MB of memory in use. ENERGY: 1180600 802.0569 2114.4758 1903.2306 98.0481 -206350.0648 17909.7279 0.0000 0.0000 33945.2062 -149577.3194 296.4519 -183522.5256 -149481.6060 297.7768 -92.3900 -57.6927 557174.0743 7.1005 7.0061 PRESSURE: 1180800 -122.039 -25.9343 -9.97012 -25.9341 -99.0975 -35.0769 -9.96938 -35.0782 -311.183 GPRESSURE: 1180800 -67.9181 -31.245 12.4641 -87.5996 -96.0321 -96.9975 -72.0487 42.6326 -265.795 PRESSAVG: 1180800 25.3134 -4.26163 4.35223 -4.26164 37.1704 -9.18321 4.35228 -9.18325 -28.564 GPRESSAVG: 1180800 23.7231 -3.25756 3.43044 -5.08599 37.9184 -6.37151 6.17362 -11.5145 -28.0985 TIMING: 1180800 CPU: 3421.91, 0.00290369/step Wall: 3421.91, 0.00290369/step, 3.08049 hours remaining, 205.550781 MB of memory in use. ENERGY: 1180800 719.6006 2093.0195 1949.0226 102.9483 -206157.1676 17660.0991 0.0000 0.0000 34125.6636 -149506.8139 298.0279 -183632.4775 -149405.0956 297.3474 -177.4400 -143.2485 559891.5184 11.3066 11.1810 PRESSURE: 1181000 -226.775 -136.923 45.4324 -136.922 -179.884 63.5704 45.4329 63.5684 -281.024 GPRESSURE: 1181000 -215.571 -85.7966 122 -114.093 -149.489 34.0359 -32.7695 40.03 -225.491 PRESSAVG: 1181000 38.3307 -37.285 7.80402 -37.285 -29.7683 44.6446 7.80402 44.6446 -12.0834 GPRESSAVG: 1181000 37.9168 -35.8601 8.65732 -37.9018 -31.7815 44.1164 6.92301 45.634 -9.14516 TIMING: 1181000 CPU: 3422.49, 0.0029005/step Wall: 3422.49, 0.0029005/step, 3.07695 hours remaining, 205.550781 MB of memory in use. ENERGY: 1181000 737.3981 2085.1697 1924.0005 124.4989 -205845.1305 17547.1353 0.0000 0.0000 33946.3167 -149480.6112 296.4616 -183426.9278 -149383.7083 297.4849 -229.2276 -196.8504 559646.5856 -1.1737 -1.0033 PRESSURE: 1181200 -139.051 65.9541 -121.674 65.9535 -97.2412 190.093 -121.673 190.094 -212.942 GPRESSURE: 1181200 -159.118 60.2756 -115.24 60.4341 -21.8959 193.356 -136.504 162.153 -165.986 PRESSAVG: 1181200 -2.6223 -24.9529 -30.5082 -24.953 41.0249 11.9 -30.5082 11.8999 -71.5753 GPRESSAVG: 1181200 -1.25932 -25.6264 -31.6401 -24.6799 42.1524 12.2928 -27.3091 11.4291 -74.0508 TIMING: 1181200 CPU: 3423.07, 0.00289278/step Wall: 3423.07, 0.00289278/step, 3.0686 hours remaining, 205.550781 MB of memory in use. ENERGY: 1181200 727.0612 2040.7840 1961.9741 110.2963 -206178.0208 17696.8820 0.0000 0.0000 34147.2866 -149493.7366 298.2167 -183641.0233 -149393.5482 297.9652 -149.7447 -115.6668 558555.3734 -11.0576 -11.0526 PRESSURE: 1181400 95.1888 170.8 5.58208 170.799 -208.6 -71.4055 5.5826 -71.4054 -163.101 GPRESSURE: 1181400 121.672 113.214 66.0392 147.913 -192.193 -77.0234 39.0679 -41.827 -110.785 PRESSAVG: 1181400 -2.07441 -43.0628 57.838 -43.0628 25.7136 3.42285 57.838 3.42295 -28.8733 GPRESSAVG: 1181400 -2.25209 -43.6282 58.2893 -41.0906 25.0863 1.20843 56.1683 5.19828 -27.9896 TIMING: 1181400 CPU: 3423.65, 0.00291232/step Wall: 3423.65, 0.00291232/step, 3.08916 hours remaining, 205.550781 MB of memory in use. ENERGY: 1181400 781.8416 2134.8267 1919.7663 111.2313 -206437.7712 17724.7733 0.0000 0.0000 34215.3644 -149549.9675 298.8113 -183765.3319 -149456.3519 298.4202 -92.1707 -60.4356 557379.5409 -1.7447 -1.7184 PRESSURE: 1181600 -137.483 17.3374 41.6979 17.3377 -116.279 102.012 41.6993 102.012 -381.467 GPRESSURE: 1181600 -174.317 44.7033 67.9726 -74.1967 -41.3798 51.2231 -20.0166 68.5836 -340.366 PRESSAVG: 1181600 10.8972 -32.4153 -50.6816 -32.4153 -12.3958 24.5827 -50.6816 24.5827 -19.1305 GPRESSAVG: 1181600 11.5335 -33.2951 -50.2172 -32.2428 -12.2081 24.9222 -51.0937 23.1244 -20.0571 TIMING: 1181600 CPU: 3424.23, 0.00290021/step Wall: 3424.23, 0.00290021/step, 3.07616 hours remaining, 205.550781 MB of memory in use. ENERGY: 1181600 763.1337 2103.2603 1958.5514 113.2763 -206134.0568 17610.1914 0.0000 0.0000 34159.3428 -149426.3009 298.3220 -183585.6437 -149329.4795 298.0303 -211.7432 -185.3543 558413.4288 -6.8763 -6.9106 PRESSURE: 1181800 -334.086 104.772 -20.7628 104.772 -55.6352 -19.1999 -20.7638 -19.2008 -274.925 GPRESSURE: 1181800 -263.966 69.3435 -21.7646 99.4957 -81.8328 32.9904 -48.4818 -4.65109 -221.846 PRESSAVG: 1181800 4.66928 -17.5836 -52.2493 -17.5836 31.7596 -2.88911 -52.2493 -2.88923 -36.7627 GPRESSAVG: 1181800 4.93011 -17.1741 -53.2767 -17.4423 31.8462 -1.61754 -53.1717 -2.84633 -36.2274 TIMING: 1181800 CPU: 3424.81, 0.00292287/step Wall: 3424.81, 0.00292287/step, 3.10003 hours remaining, 205.550781 MB of memory in use. ENERGY: 1181800 725.5933 2080.5068 1919.3934 116.7481 -206181.5868 17620.4202 0.0000 0.0000 34268.3121 -149450.6129 299.2737 -183718.9250 -149360.1763 297.7891 -221.5487 -189.2149 558393.8440 -0.1113 0.1830 PRESSURE: 1182000 108.338 -75.6288 -43.0596 -75.6286 77.5526 209.135 -43.0601 209.137 -65.1366 GPRESSURE: 1182000 150.818 -90.6678 8.03565 -4.57127 118.798 246.284 -29.0826 154.305 -44.6558 PRESSAVG: 1182000 37.0934 18.8465 15.444 18.8465 5.95548 -12.3928 15.4441 -12.3928 -44.2737 GPRESSAVG: 1182000 36.2952 20.2899 16.2076 18.6413 6.06496 -11.0628 16.0734 -15.1103 -43.5142 TIMING: 1182000 CPU: 3425.4, 0.00290796/step Wall: 3425.4, 0.00290796/step, 3.08405 hours remaining, 205.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1182000 715.7763 2060.7990 1928.1470 115.5057 -206268.3378 17846.5668 0.0000 0.0000 34219.6599 -149381.8832 298.8488 -183601.5430 -149285.4193 299.1319 40.2513 74.9868 557099.0959 -0.4083 -0.3847 PRESSURE: 1182200 -165.384 -42.7672 150.173 -42.7665 -175.296 25.013 150.173 25.0137 116.209 GPRESSURE: 1182200 -53.4428 -51.1054 70.7118 4.43332 -176.909 -73.8337 140.348 91.5996 96.7308 PRESSAVG: 1182200 -20.8766 14.5446 -32.4587 14.5446 -71.2062 5.62178 -32.4588 5.62178 78.0929 GPRESSAVG: 1182200 -20.6041 13.0687 -30.9662 14.2866 -70.5321 3.22266 -33.1787 7.29838 77.5065 TIMING: 1182200 CPU: 3425.97, 0.002895/step Wall: 3425.97, 0.002895/step, 3.07015 hours remaining, 205.550781 MB of memory in use. ENERGY: 1182200 747.5752 2126.4163 1938.1000 120.5145 -206407.7740 17749.4063 0.0000 0.0000 34288.9718 -149436.7900 299.4541 -183725.7618 -149348.6630 298.1413 -74.8237 -44.5402 557724.8183 -4.6633 -4.5432 PRESSURE: 1182400 146.352 182.805 123.902 182.806 158.756 -1.36263 123.903 -1.36302 -160.969 GPRESSURE: 1182400 193.883 162.785 233.322 211.062 117.95 33.1141 25.6806 18.3043 -73.608 PRESSAVG: 1182400 61.4108 15.3503 21.098 15.3503 -31.1866 21.2377 21.0982 21.2376 -19.5178 GPRESSAVG: 1182400 60.7253 15.0737 18.5984 15.3281 -29.7526 22.3126 23.864 21.5128 -20.4006 TIMING: 1182400 CPU: 3426.55, 0.00290022/step Wall: 3426.55, 0.00290022/step, 3.07552 hours remaining, 205.550781 MB of memory in use. ENERGY: 1182400 788.9387 2085.8488 1929.5582 114.5944 -206349.4850 18123.9928 0.0000 0.0000 34031.7419 -149274.8103 297.2077 -183306.5522 -149184.0360 299.5414 48.0464 79.4084 558172.5046 3.5688 3.5240 PRESSURE: 1182600 112.403 35.833 -99.2428 35.8331 -130.282 139.856 -99.243 139.855 -108.377 GPRESSURE: 1182600 161.842 37.8457 -91.6434 -38.2159 -77.5096 76.1354 -154.273 118.273 -104.699 PRESSAVG: 1182600 77.7214 -14.7792 59.9152 -14.7793 4.50547 -1.16388 59.9152 -1.16394 -50.9291 GPRESSAVG: 1182600 78.3031 -13.6147 62.093 -12.9982 4.06631 -3.02607 57.3589 -1.78954 -51.0745 TIMING: 1182600 CPU: 3427.13, 0.00289178/step Wall: 3427.13, 0.00289178/step, 3.06641 hours remaining, 205.550781 MB of memory in use. ENERGY: 1182600 709.6531 2095.8904 1914.9733 113.5340 -206151.1722 17919.7831 0.0000 0.0000 34359.4590 -149037.8792 300.0697 -183397.3383 -148937.0551 298.8655 -42.0854 -6.7892 560119.8986 10.4326 10.4316 PRESSURE: 1182800 -103.75 80.8748 -18.5584 80.874 -306.495 -71.4218 -18.5592 -71.4217 -329.085 GPRESSURE: 1182800 -59.2745 102.773 -82.5912 84.3726 -258.893 -70.7653 25.3397 -40.0205 -319.756 PRESSAVG: 1182800 78.9469 1.15269 -23.6453 1.1527 23.7922 -4.51159 -23.6454 -4.51145 -48.7222 GPRESSAVG: 1182800 77.7106 1.33182 -24.0526 0.273766 24.0998 -4.86478 -22.9507 -3.60312 -47.3996 TIMING: 1182800 CPU: 3427.72, 0.00293492/step Wall: 3427.72, 0.00293492/step, 3.11199 hours remaining, 205.550781 MB of memory in use. ENERGY: 1182800 741.8078 2062.0714 1940.6236 109.7959 -205712.0616 17386.4029 0.0000 0.0000 34403.9275 -149067.4327 300.4581 -183471.3602 -148970.4661 299.4909 -246.4431 -212.6412 558576.1826 18.0056 18.1369 PRESSURE: 1183000 77.96 -224.735 -266.59 -224.735 197.989 -72.29 -266.591 -72.2883 147.435 GPRESSURE: 1183000 94.7797 -155.599 -246.491 -292.34 238.655 -139.495 -270.228 -37.1085 181.193 PRESSAVG: 1183000 51.5572 -39.6241 -14.5395 -39.6242 -32.9548 -97.0413 -14.5394 -97.0412 -1.58996 GPRESSAVG: 1183000 52.4262 -41.2143 -15.7538 -40.78 -34.6497 -95.8635 -12.6971 -98.6046 -0.757643 TIMING: 1183000 CPU: 3428.31, 0.0029351/step Wall: 3428.31, 0.0029351/step, 3.11202 hours remaining, 205.550781 MB of memory in use. ENERGY: 1183000 727.0900 2049.8849 1960.2547 115.4556 -206338.4174 18021.4347 0.0000 0.0000 34267.3238 -149196.9736 299.2651 -183464.2974 -149105.0101 299.4835 141.1278 171.5425 557364.7245 5.6708 5.6730 PRESSURE: 1183200 -171.915 75.738 122.063 75.7378 23.8009 52.4799 122.063 52.4803 17.9156 GPRESSURE: 1183200 -139.975 37.4531 60.7678 18.6243 85.5009 96.1705 95.8842 -8.97313 32.773 PRESSAVG: 1183200 14.8448 49.9776 -3.12348 49.9776 49.175 -32.1119 -3.1235 -32.1119 -56.3824 GPRESSAVG: 1183200 14.2308 52.1331 -2.12792 49.5257 51.1945 -31.0582 -6.05226 -32.393 -57.8292 TIMING: 1183200 CPU: 3428.89, 0.00292562/step Wall: 3428.89, 0.00292562/step, 3.10181 hours remaining, 205.550781 MB of memory in use. ENERGY: 1183200 762.8578 2100.3224 1937.9001 114.3106 -206161.8431 17840.1251 0.0000 0.0000 34268.2856 -149138.0416 299.2735 -183406.3272 -149047.1679 299.0056 -43.3996 -7.2337 556961.4866 2.5458 2.5320 PRESSURE: 1183400 -335.163 155.205 -87.0518 155.205 -291.141 76.7176 -87.0506 76.7157 -106.866 GPRESSURE: 1183400 -305.17 136.187 -115.652 114.779 -239.761 141.167 46.6177 82.9541 -90.7894 PRESSAVG: 1183400 46.5152 22.7434 13.2733 22.7434 -33.3352 12.2522 13.2733 12.2522 -11.0352 GPRESSAVG: 1183400 47.7745 20.6989 13.3073 22.0477 -34.7781 11.4861 13.9443 11.6947 -10.807 TIMING: 1183400 CPU: 3429.47, 0.00290972/step Wall: 3429.47, 0.00290972/step, 3.08479 hours remaining, 205.550781 MB of memory in use. ENERGY: 1183400 753.2559 2106.4221 1919.8131 107.3301 -205725.2877 17432.6830 0.0000 0.0000 34257.3408 -149148.4426 299.1779 -183405.7835 -149054.7654 299.2614 -244.3898 -211.9067 558774.8171 0.7149 0.7298 PRESSURE: 1183600 323.146 70.6818 83.1152 70.6818 9.01737 -17.2908 83.1149 -17.2903 479.32 GPRESSURE: 1183600 360.056 72.8218 68.5893 103.938 62.0337 36.2946 73.0914 38.6954 480.742 PRESSAVG: 1183600 7.50037 43.5967 18.9879 43.5967 -0.487596 36.586 18.9879 36.5859 3.73178 GPRESSAVG: 1183600 7.17393 46.1176 17.9359 43.4508 -0.3692 36.4624 19.744 38.5927 4.713 TIMING: 1183600 CPU: 3430.06, 0.00292383/step Wall: 3430.06, 0.00292383/step, 3.09959 hours remaining, 205.550781 MB of memory in use. ENERGY: 1183600 749.3971 2070.5100 1972.3569 109.2142 -206576.6140 18385.4429 0.0000 0.0000 34277.1636 -149012.5293 299.3510 -183289.6929 -148916.0564 299.2591 270.4944 300.9438 558314.1102 3.5815 3.8392 PRESSURE: 1183800 271.607 -31.4953 19.925 -31.4955 -17.6836 69.095 19.9241 69.0939 205.801 GPRESSURE: 1183800 274.221 -106.415 79.2663 -27.6815 53.0419 26.5678 -10.9435 42.86 230.536 PRESSAVG: 1183800 47.7395 20.9239 36.2122 20.9239 -23.0917 -11.5063 36.2123 -11.5063 -16.5419 GPRESSAVG: 1183800 47.2143 16.6809 35.4988 23.7948 -22.9598 -10.8064 36.4667 -13.7266 -16.6598 TIMING: 1183800 CPU: 3430.64, 0.00292454/step Wall: 3430.64, 0.00292454/step, 3.10017 hours remaining, 205.550781 MB of memory in use. ENERGY: 1183800 740.0164 2101.0513 1917.6138 116.7768 -206095.6582 18118.5110 0.0000 0.0000 34236.7705 -148864.9184 298.9982 -183101.6889 -148773.6606 299.8831 153.2414 185.9331 559821.5168 2.7020 2.5316 PRESSURE: 1184000 -33.7874 -175.265 -90.9272 -175.264 65.8968 -45.4432 -90.9278 -45.4443 407.384 GPRESSURE: 1184000 5.07914 -168.871 -84.825 -224.267 72.1478 34.4123 -141.776 -133.65 457.436 PRESSAVG: 1184000 -5.41943 -68.5604 -60.6444 -68.5604 -36.1645 34.788 -60.6444 34.788 40.533 GPRESSAVG: 1184000 -4.76493 -66.935 -58.0201 -72.0826 -36.0325 33.7183 -59.7487 35.6792 39.9231 TIMING: 1184000 CPU: 3431.22, 0.00290031/step Wall: 3431.22, 0.00290031/step, 3.07433 hours remaining, 205.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1184000 735.4918 2083.6579 1916.1690 113.7646 -206401.1651 18203.9086 0.0000 0.0000 34402.7372 -148945.4361 300.4477 -183348.1733 -148848.8429 299.7138 146.4978 178.2209 558832.2151 -0.3503 -0.2914 PRESSURE: 1184200 18.2942 -1.79599 -35.7059 -1.79505 -324.425 10.8195 -35.7066 10.8206 10.4503 GPRESSURE: 1184200 69.2386 -13.4279 -39.8027 -5.56659 -288.82 84.7179 -119.937 7.27838 19.6838 PRESSAVG: 1184200 24.1149 21.4572 -21.7514 21.4572 -59.5378 29.198 -21.7513 29.1979 7.74068 GPRESSAVG: 1184200 24.928 22.6474 -24.3267 22.5346 -59.1513 29.2457 -21.6291 30.8388 6.47036 TIMING: 1184200 CPU: 3431.8, 0.00290165/step Wall: 3431.8, 0.00290165/step, 3.07559 hours remaining, 205.550781 MB of memory in use. ENERGY: 1184200 727.3217 2135.6589 1932.9373 102.5215 -205825.8961 17742.8599 0.0000 0.0000 34103.2247 -149081.3720 297.8319 -183184.5968 -148985.2525 299.3064 -98.5603 -66.6324 560528.4299 -9.2274 -9.2510 LDB: ============= START OF LOAD BALANCING ============== 3435.19 LDB: ============== END OF LOAD BALANCING =============== 3435.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3435.19 LDB: ============= START OF LOAD BALANCING ============== 3435.48 LDB: Largest compute 4822 load 0.023233 is 19.7% of average load 0.117960 LDB: Average compute 0.001696 is 1.4% of average load 0.117960 LDB: TIME 3435.48 LOAD: AVG 0.11796 MAX 0.182391 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 3435.48 LOAD: AVG 0.11796 MAX 0.182391 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.805 MB LDB: TIME 3435.48 LOAD: AVG 0.11796 MAX 0.182391 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.805 MB LDB: ============== END OF LOAD BALANCING =============== 3435.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3435.49 PRESSURE: 1184400 -318.365 -0.665767 119.631 -0.666737 -386.201 70.4134 119.631 70.4104 -145.926 GPRESSURE: 1184400 -258.132 30.7045 124.934 -78.3228 -366.936 29.7436 75.8556 79.0933 -125.254 PRESSAVG: 1184400 21.2353 10.7785 4.35396 10.7784 19.9804 19.2382 4.35395 19.2383 -12.1148 GPRESSAVG: 1184400 20.9604 11.6473 4.85924 9.39943 19.3606 19.7766 3.38407 17.2459 -11.6182 TIMING: 1184400 CPU: 3432.39, 0.00295134/step Wall: 3432.39, 0.00295134/step, 3.12809 hours remaining, 207.343750 MB of memory in use. ENERGY: 1184400 771.2166 2121.5571 1962.2541 99.3012 -205944.8251 17581.4816 0.0000 0.0000 34164.9829 -149244.0316 298.3713 -183409.0145 -149145.6962 299.4476 -283.4975 -250.1074 558758.5609 9.7003 9.5676 PRESSURE: 1184600 -33.9247 34.004 49.3266 34.0037 71.7438 129.383 49.3245 129.383 -179.642 GPRESSURE: 1184600 -36.4138 8.44124 73.3614 94.1763 81.9637 166.856 114.56 17.0814 -89.4404 PRESSAVG: 1184600 -65.5959 21.6824 6.30977 21.6824 -8.7569 48.3646 6.30969 48.3646 67.8205 GPRESSAVG: 1184600 -65.9217 20.4393 5.73384 24.8808 -8.03139 46.3802 7.99386 49.4562 67.8481 TIMING: 1184600 CPU: 3432.98, 0.00292909/step Wall: 3432.98, 0.00292909/step, 3.10435 hours remaining, 207.804688 MB of memory in use. ENERGY: 1184600 746.2227 2068.6280 1939.8325 116.0597 -206088.5836 17835.4465 0.0000 0.0000 34093.0369 -149289.3573 297.7430 -183382.3943 -149193.7989 298.7974 -47.2744 -14.6302 558601.8052 -2.1774 -2.0350 PRESSURE: 1184800 -366.639 -100.276 82.6577 -100.276 -159.515 78.596 82.6567 78.5971 -93.8148 GPRESSURE: 1184800 -350.341 -168.064 63.832 1.99055 -143.096 92.8966 56.8405 120.538 -30.363 PRESSAVG: 1184800 -30.4445 -40.777 9.01327 -40.777 24.3954 73.2328 9.01324 73.2328 27.6379 GPRESSAVG: 1184800 -30.1642 -42.3529 12.1036 -40.4316 24.0961 73.1983 6.29625 74.7711 27.6313 TIMING: 1184800 CPU: 3433.56, 0.00288385/step Wall: 3433.56, 0.00288385/step, 3.05624 hours remaining, 207.804688 MB of memory in use. ENERGY: 1184800 763.0135 2157.7919 1944.5564 119.2334 -206131.7488 17659.6842 0.0000 0.0000 34238.8462 -149248.6232 299.0164 -183487.4694 -149140.1730 299.3367 -206.6562 -174.6000 558345.2885 7.1963 7.1878 PRESSURE: 1185000 140.535 -111.734 -11.5926 -111.734 -24.1899 65.9285 -11.5929 65.9291 -14.4425 GPRESSURE: 1185000 168.071 -85.4564 -47.1993 -118.238 27.094 32.3014 -30.6511 85.479 6.76573 PRESSAVG: 1185000 -53.402 -47.9617 18.5504 -47.9617 38.8084 -19.6147 18.5504 -19.6147 -21.7844 GPRESSAVG: 1185000 -53.236 -49.1547 17.594 -50.5453 38.8922 -17.9764 19.6137 -21.6096 -22.1236 TIMING: 1185000 CPU: 3434.13, 0.00286157/step Wall: 3434.13, 0.00286157/step, 3.03247 hours remaining, 207.804688 MB of memory in use. ENERGY: 1185000 760.2588 2096.8081 1924.8163 116.0484 -206168.7852 17981.4282 0.0000 0.0000 34018.8706 -149270.5549 297.0953 -183289.4255 -149171.6147 298.8032 33.9675 67.3101 557538.3269 -12.1260 -12.1558 PRESSURE: 1185200 -98.938 -167.217 -36.4218 -167.216 -159.942 -12.4847 -36.4207 -12.4848 -101.192 GPRESSURE: 1185200 -34.9214 -141.357 7.18883 -122.541 -191.567 0.210252 -85.456 -13.9465 -24.8138 PRESSAVG: 1185200 33.7057 -12.2592 -37.0198 -12.2592 2.20075 -18.1923 -37.0199 -18.1924 -49.3864 GPRESSAVG: 1185200 32.9989 -10.0307 -35.9385 -10.6258 2.12641 -17.7496 -38.0749 -19.9465 -48.6219 TIMING: 1185200 CPU: 3434.71, 0.00289385/step Wall: 3434.71, 0.00289385/step, 3.06651 hours remaining, 207.804688 MB of memory in use. ENERGY: 1185200 745.2252 2130.9454 1920.5856 120.9267 -206179.5646 17715.3054 0.0000 0.0000 34153.3156 -149393.2608 298.2694 -183546.5764 -149298.5747 298.1952 -120.0240 -83.7673 557824.1754 -4.4933 -4.4989 PRESSURE: 1185400 -12.7197 -31.8127 -94.1128 -31.8119 3.37053 43.2715 -94.1135 43.2711 -376.559 GPRESSURE: 1185400 57.5675 -95.149 -171.909 -12.2043 6.63927 29.3603 -59.5598 23.125 -357.19 PRESSAVG: 1185400 -22.7551 50.5794 -15.2579 50.5794 -7.28616 29.2071 -15.2578 29.2071 -7.416 GPRESSAVG: 1185400 -22.852 51.1899 -15.6305 49.6181 -7.467 28.726 -15.9799 31.1847 -6.28891 TIMING: 1185400 CPU: 3435.28, 0.00287739/step Wall: 3435.28, 0.00287739/step, 3.04891 hours remaining, 207.804688 MB of memory in use. ENERGY: 1185400 739.9141 2068.9894 1945.3176 100.6553 -206154.3858 17731.3082 0.0000 0.0000 34109.9413 -149458.2599 297.8906 -183568.2012 -149353.8700 298.4070 -128.6361 -97.6611 558304.9319 -12.4858 -12.2026 PRESSURE: 1185600 384.343 -33.9658 186.292 -33.9664 154.772 97.6934 186.292 97.6936 -27.2493 GPRESSURE: 1185600 433.47 -90.5006 135.493 -3.31775 145.987 88.5825 191.545 -16.7681 26.2507 PRESSAVG: 1185600 70.035 -18.2309 -4.81626 -18.2309 -86.2688 -8.41197 -4.81625 -8.41195 12.9016 GPRESSAVG: 1185600 69.8057 -19.0837 -5.73344 -18.3954 -85.28 -6.53159 -2.24747 -11.2068 12.4029 TIMING: 1185600 CPU: 3435.87, 0.00292851/step Wall: 3435.87, 0.00292851/step, 3.10292 hours remaining, 207.804688 MB of memory in use. ENERGY: 1185600 750.0827 2042.3113 1954.2746 120.8010 -206257.2329 17982.3196 0.0000 0.0000 34239.7858 -149167.6579 299.0246 -183407.4437 -149076.2538 298.5965 170.6220 201.9025 556859.6418 -1.1107 -1.0238 PRESSURE: 1185800 91.7869 -71.6278 114.616 -71.6284 -59.864 49.5617 114.616 49.5609 -111.696 GPRESSURE: 1185800 120.096 -51.3668 39.238 -124.613 6.02906 90.379 163.841 22.3072 -103.081 PRESSAVG: 1185800 48.1909 -43.133 35.7473 -43.1331 -17.6762 -36.1375 35.7473 -36.1374 -18.6126 GPRESSAVG: 1185800 48.0264 -45.7423 39.0034 -41.1154 -18.4474 -36.8365 33.8322 -34.5681 -18.2281 TIMING: 1185800 CPU: 3436.45, 0.00291419/step Wall: 3436.45, 0.00291419/step, 3.08758 hours remaining, 207.804688 MB of memory in use. ENERGY: 1185800 767.9961 2110.7494 1930.1560 122.5577 -205995.1540 17662.2654 0.0000 0.0000 34380.0295 -149021.3999 300.2493 -183401.4294 -148917.9110 299.8166 -26.5910 7.6813 556327.1425 3.9674 3.7836 PRESSURE: 1186000 -25.5435 6.67596 -40.7219 6.67618 -181.962 -48.9587 -40.7217 -48.9592 -288.084 GPRESSURE: 1186000 2.40393 106.609 -41.8844 -109.147 -125.45 -42.7665 -117.616 37.8218 -277.482 PRESSAVG: 1186000 68.406 51.7454 -20.7273 51.7453 -16.3206 -7.78689 -20.7272 -7.787 -88.1339 GPRESSAVG: 1186000 67.8149 53.1643 -21.0951 48.6878 -15.8899 -7.86684 -21.0252 -6.41692 -88.3176 TIMING: 1186000 CPU: 3437.03, 0.00291586/step Wall: 3437.03, 0.00291586/step, 3.0892 hours remaining, 207.804688 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: 1186000 740.9110 2057.9712 1943.6986 119.1438 -205499.9096 17314.7703 0.0000 0.0000 34339.3463 -148984.0685 299.8941 -183323.4148 -148888.6144 299.7049 -165.1963 -133.5093 558893.5670 -12.0161 -12.1308 PRESSURE: 1186200 171.641 174.294 44.8276 174.296 77.6198 -108.532 44.827 -108.533 239.42 GPRESSURE: 1186200 123.113 156.649 42.178 212.983 158.989 -112.503 12.6836 -95.2887 314.922 PRESSAVG: 1186200 45.914 48.6567 -20.1402 48.6567 -98.2261 15.9157 -20.1402 15.9158 43.938 GPRESSAVG: 1186200 46.4256 48.0868 -21.9168 49.0696 -97.9521 15.8316 -19.3569 14.5797 43.1333 TIMING: 1186200 CPU: 3437.62, 0.00290333/step Wall: 3437.62, 0.00290333/step, 3.07575 hours remaining, 207.804688 MB of memory in use. ENERGY: 1186200 728.6061 2139.8749 1937.8826 106.5103 -206332.3307 18168.5483 0.0000 0.0000 34334.9523 -148915.9562 299.8557 -183250.9084 -148810.2855 299.9383 162.8936 199.0081 559093.8071 -2.7914 -2.7977 PRESSURE: 1186400 158.646 -136.147 -80.0732 -136.147 161.715 258.189 -80.0725 258.189 -24.66 GPRESSURE: 1186400 232.438 -135.674 -95.1019 -60.4369 164.633 205.837 -142.924 207.212 0.479303 PRESSAVG: 1186400 -35.4103 -8.47829 -23.924 -8.4783 20.9321 -5.41336 -23.924 -5.41339 -0.142397 GPRESSAVG: 1186400 -35.7211 -5.63307 -25.3208 -6.71552 21.378 -6.52405 -22.3425 -3.20931 0.565294 TIMING: 1186400 CPU: 3438.2, 0.00290342/step Wall: 3438.2, 0.00290342/step, 3.07569 hours remaining, 207.871094 MB of memory in use. ENERGY: 1186400 766.7205 2097.9693 1938.7653 109.9509 -205912.1441 17830.4496 0.0000 0.0000 34206.8759 -148961.4126 298.7372 -183168.2885 -148865.2118 299.6756 98.5668 132.5166 557756.4409 -4.8735 -4.5926 PRESSURE: 1186600 -20.5949 105.999 -104.983 105.999 -160.23 -148.735 -104.983 -148.734 56.0629 GPRESSURE: 1186600 9.01985 -48.4555 -104.494 182.989 -109.622 -15.8505 -146.889 -159.147 74.7188 PRESSAVG: 1186600 4.15654 -17.123 -66.8555 -17.123 3.33601 0.721085 -66.8555 0.721058 -29.2649 GPRESSAVG: 1186600 5.18235 -17.9199 -64.719 -17.119 1.65728 0.476472 -68.8414 0.726011 -29.2655 TIMING: 1186600 CPU: 3438.77, 0.0028774/step Wall: 3438.77, 0.0028774/step, 3.04796 hours remaining, 207.871094 MB of memory in use. ENERGY: 1186600 752.3704 2108.6220 1956.6717 113.8641 -205743.6702 17586.4863 0.0000 0.0000 34092.2057 -149133.4499 297.7357 -183225.6556 -149033.7294 299.7965 -41.5874 -8.6277 557656.1739 -7.2575 -7.4753 PRESSURE: 1186800 -20.3671 -55.9096 -83.5987 -55.9099 29.3414 -130.854 -83.5998 -130.854 102.562 GPRESSURE: 1186800 24.0475 -72.9648 -163.462 -49.1803 42.0026 -143.565 -80.1093 -149.456 161.939 PRESSAVG: 1186800 -3.0574 49.6789 -33.0087 49.679 -31.5121 -28.794 -33.0086 -28.7941 80.8586 GPRESSAVG: 1186800 -3.55798 48.3756 -33.8434 48.5382 -30.8019 -29.2765 -32.5968 -28.4771 80.5268 TIMING: 1186800 CPU: 3439.35, 0.0028994/step Wall: 3439.35, 0.0028994/step, 3.07111 hours remaining, 207.871094 MB of memory in use. ENERGY: 1186800 726.0896 2096.0663 1948.4296 110.3067 -206080.6513 17804.0836 0.0000 0.0000 34248.6231 -149147.0526 299.1017 -183395.6756 -149055.5509 299.6543 37.1787 75.9965 556877.7619 15.4297 15.3890 PRESSURE: 1187000 -48.8394 -61.1481 4.05348 -61.1485 198.436 -0.21577 4.0542 -0.216032 63.5457 GPRESSURE: 1187000 -106.719 -85.2196 -38.7167 -121.016 271.154 -100.662 -55.4326 28.7694 151.571 PRESSAVG: 1187000 -61.0099 3.89821 16.5107 3.89815 -31.2049 -44.8344 16.5107 -44.8345 64.5154 GPRESSAVG: 1187000 -59.8503 4.4731 18.2552 3.04973 -32.2124 -43.9014 15.3654 -46.2515 64.4799 TIMING: 1187000 CPU: 3439.93, 0.00288689/step Wall: 3439.93, 0.00288689/step, 3.0577 hours remaining, 207.871094 MB of memory in use. ENERGY: 1187000 763.2765 2159.8530 1953.0438 116.4303 -206316.3750 17870.2363 0.0000 0.0000 34198.5980 -149254.9372 298.6649 -183453.5351 -149163.0862 299.1032 71.0473 105.3353 556731.0342 -9.2331 -9.1943 PRESSURE: 1187200 -11.9548 -123.054 -11.0779 -123.053 -89.4483 -36.3873 -11.0778 -36.3861 83.308 GPRESSURE: 1187200 26.8277 -52.7836 5.72235 -127.849 -33.9968 74.3801 -128.294 20.0237 106.444 PRESSAVG: 1187200 -17.1845 -33.0962 -9.29348 -33.0962 7.47149 -67.3784 -9.29348 -67.3785 16.0699 GPRESSAVG: 1187200 -17.7913 -32.6806 -11.0196 -31.1957 8.96681 -68.2224 -7.62212 -65.9047 15.5033 TIMING: 1187200 CPU: 3440.51, 0.00289941/step Wall: 3440.51, 0.00289941/step, 3.0708 hours remaining, 207.871094 MB of memory in use. ENERGY: 1187200 759.4400 2114.5291 1937.3487 119.9349 -206115.1390 17700.9369 0.0000 0.0000 34236.4660 -149246.4834 298.9956 -183482.9494 -149154.0011 298.5658 -6.0317 33.0918 556552.2072 2.1190 2.2263 PRESSURE: 1187400 158.655 66.7136 -18.9655 66.714 118.429 -175.234 -18.9677 -175.235 228.341 GPRESSURE: 1187400 197.218 94.6641 4.47523 11.7015 126.274 -237.455 28.0079 -97.3397 276.24 PRESSAVG: 1187400 28.2342 -22.7448 -29.1494 -22.7447 -15.4449 -46.2714 -29.1496 -46.2714 9.27068 GPRESSAVG: 1187400 28.3198 -21.692 -28.7109 -23.4717 -15.2989 -45.3041 -29.6725 -45.8549 8.86458 TIMING: 1187400 CPU: 3441.09, 0.00290067/step Wall: 3441.09, 0.00290067/step, 3.07197 hours remaining, 207.871094 MB of memory in use. ENERGY: 1187400 708.1113 2099.8813 1929.6852 114.9199 -206289.7270 18026.1583 0.0000 0.0000 34293.3099 -149117.6612 299.4920 -183410.9711 -149013.3044 299.0929 168.4748 199.9108 557220.7450 7.3533 7.2951 PRESSURE: 1187600 -84.5095 -23.2995 55.9964 -23.2977 -82.9071 187.453 55.9949 187.454 64.0107 GPRESSURE: 1187600 -36.6313 -22.0462 57.211 13.8722 -76.525 193.214 -14.7 153.968 103.985 PRESSAVG: 1187600 -34.6277 -21.9391 -35.3392 -21.939 21.2424 -36.3284 -35.3391 -36.3285 33.7136 GPRESSAVG: 1187600 -36.1419 -22.863 -34.5902 -22.5025 21.6039 -35.1328 -34.734 -37.9918 35.1844 TIMING: 1187600 CPU: 3441.67, 0.00290523/step Wall: 3441.67, 0.00290523/step, 3.07663 hours remaining, 207.871094 MB of memory in use. ENERGY: 1187600 759.1610 2142.4946 1937.8986 108.6977 -206150.4171 17889.0544 0.0000 0.0000 34208.6861 -149104.4247 298.7530 -183313.1109 -148997.8565 299.3794 -34.4686 -3.0570 558547.1203 6.7761 6.8821 PRESSURE: 1187800 -60.1664 97.7285 -110.512 97.7295 -55.076 79.6591 -110.512 79.6596 -57.7457 GPRESSURE: 1187800 -28.682 63.2582 -113.23 170.699 -20.6502 99.4016 -179.48 176.652 -40.5374 PRESSAVG: 1187800 -77.6027 -7.62747 -53.9485 -7.62741 84.4321 -20.742 -53.9485 -20.7419 11.2981 GPRESSAVG: 1187800 -76.9137 -7.91004 -55.1099 -8.73044 83.978 -19.8254 -52.1528 -20.172 11.1504 TIMING: 1187800 CPU: 3442.25, 0.00290919/step Wall: 3442.25, 0.00290919/step, 3.08067 hours remaining, 207.871094 MB of memory in use. ENERGY: 1187800 761.3060 2149.1650 1941.1366 125.5161 -205793.8421 17575.7947 0.0000 0.0000 34135.6056 -149105.3182 298.1147 -183240.9238 -149007.6569 299.4091 -57.6627 -29.9565 558259.2802 6.0425 6.0716 PRESSURE: 1188000 -248.603 -68.4565 95.7862 -68.4557 11.622 -16.3107 95.7872 -16.3097 4.08548 GPRESSURE: 1188000 -161.16 -37.6307 67.0138 -103.304 -24.7613 -32.8134 113.792 73.5427 52.1508 PRESSAVG: 1188000 73.7458 13.4154 -42.8208 13.4153 9.48335 -9.85137 -42.8209 -9.85129 -81.305 GPRESSAVG: 1188000 74.9388 14.1169 -42.5165 13.3883 10.3988 -12.8915 -47.1915 -8.90258 -83.8543 TIMING: 1188000 CPU: 3442.83, 0.00291123/step Wall: 3442.83, 0.00291123/step, 3.08267 hours remaining, 207.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1188000 732.6773 2090.5147 1937.2292 125.5252 -206007.1944 17571.4575 0.0000 0.0000 34312.5126 -149237.2778 299.6597 -183549.7905 -149144.6060 298.7630 -77.6317 -44.5902 558011.3539 0.6414 0.4944 PRESSURE: 1188200 -266.634 -35.6706 80.3671 -35.6716 91.2361 10.66 80.3668 10.6596 -173.735 GPRESSURE: 1188200 -256.251 -2.31535 107.409 -75.9369 137.843 45.4745 22.7016 -44.8362 -124.99 PRESSAVG: 1188200 -31.5391 -4.65941 30.9481 -4.65943 13.3883 -4.20354 30.9481 -4.20343 18.5818 GPRESSAVG: 1188200 -31.5348 -4.38164 30.623 -5.10603 12.8756 -2.49495 35.3926 -4.44161 19.2682 TIMING: 1188200 CPU: 3443.41, 0.00289894/step Wall: 3443.41, 0.00289894/step, 3.06949 hours remaining, 207.871094 MB of memory in use. ENERGY: 1188200 739.3743 2140.4848 1938.5209 112.9786 -206066.5770 17549.2450 0.0000 0.0000 34158.3501 -149427.6233 298.3134 -183585.9734 -149328.5628 298.3266 -116.3774 -81.1329 555891.1600 0.1437 0.2030 LDB: ============= START OF LOAD BALANCING ============== 3446.8 LDB: ============== END OF LOAD BALANCING =============== 3446.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3446.8 LDB: ============= START OF LOAD BALANCING ============== 3447.09 LDB: Largest compute 4820 load 0.022793 is 19.3% of average load 0.117955 LDB: Average compute 0.001704 is 1.4% of average load 0.117955 LDB: TIME 3447.09 LOAD: AVG 0.117955 MAX 0.18175 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 3447.09 LOAD: AVG 0.117955 MAX 0.18175 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.316 MB LDB: TIME 3447.09 LOAD: AVG 0.117955 MAX 0.18175 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.316 MB LDB: ============== END OF LOAD BALANCING =============== 3447.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3447.1 PRESSURE: 1188400 -122.703 153.711 12.5372 153.711 99.8742 -75.7587 12.5382 -75.7575 -418.535 GPRESSURE: 1188400 -46.3137 102.634 92.8092 195.043 110.758 60.0207 -4.37044 -48.9981 -410.031 PRESSAVG: 1188400 -46.8013 -22.9117 -22.6068 -22.9117 20.6389 -5.4182 -22.6068 -5.4182 18.667 GPRESSAVG: 1188400 -46.544 -22.6005 -22.0279 -21.4071 20.6188 -5.7221 -23.8418 -5.13876 18.7094 TIMING: 1188400 CPU: 3444, 0.00294332/step Wall: 3444, 0.00294332/step, 3.11633 hours remaining, 206.835938 MB of memory in use. ENERGY: 1188400 743.6821 2056.3394 1930.2894 110.0587 -206114.5140 17587.2255 0.0000 0.0000 34117.1478 -149569.7710 297.9535 -183686.9188 -149474.7773 299.3036 -147.1213 -115.1957 557847.1672 -2.4985 -2.4053 PRESSURE: 1188600 -21.973 -195.48 -51.3244 -195.479 125.026 -105.259 -51.3248 -105.26 -48.2457 GPRESSURE: 1188600 72.804 -80.4678 -46.1761 -179.972 121.459 -89.401 -83.3825 -96.8902 -34.9328 PRESSAVG: 1188600 -83.1213 -29.708 -60.7754 -29.708 60.0748 -8.81459 -60.7754 -8.81462 1.52999 GPRESSAVG: 1188600 -84.223 -30.4405 -61.3598 -30.7479 59.8543 -7.78056 -59.7017 -9.21906 2.4024 TIMING: 1188600 CPU: 3444.58, 0.00287926/step Wall: 3444.58, 0.00287926/step, 3.04834 hours remaining, 206.976562 MB of memory in use. ENERGY: 1188600 757.6607 2085.6322 1956.8817 107.3059 -206198.3242 17804.4888 0.0000 0.0000 34041.9018 -149444.4532 297.2964 -183486.3549 -149349.4132 299.1069 18.2691 53.1101 557026.7587 -7.1722 -7.3221 PRESSURE: 1188800 -366.677 94.9809 -10.8283 94.9815 -94.8656 168.63 -10.8285 168.63 -180.548 GPRESSURE: 1188800 -280.645 111.594 16.5908 18.7804 -34.5908 136.576 5.99672 157.648 -230.765 PRESSAVG: 1188800 23.133 10.7855 4.25101 10.7855 68.3517 -13.492 4.25098 -13.4919 -20.4744 GPRESSAVG: 1188800 22.5166 9.91348 4.30153 10.0579 68.8999 -13.7282 3.11148 -13.0271 -20.5296 TIMING: 1188800 CPU: 3445.15, 0.00287591/step Wall: 3445.15, 0.00287591/step, 3.04463 hours remaining, 206.976562 MB of memory in use. ENERGY: 1188800 765.9145 2052.6214 1942.5131 121.5207 -206098.7377 17664.0089 0.0000 0.0000 34167.3312 -149384.8279 298.3918 -183552.1591 -149289.2604 298.8176 -214.0301 -182.0001 557244.6282 23.6701 23.6290 PRESSURE: 1189000 7.57017 29.253 -48.5358 29.2542 66.6212 -19.6633 -48.5356 -19.6637 -40.2 GPRESSURE: 1189000 64.6641 9.94038 -1.5401 -9.62261 79.548 -26.1556 -93.3446 11.0368 -10.7015 PRESSAVG: 1189000 -33.4178 -31.526 28.0067 -31.526 69.9647 -8.37038 28.0067 -8.3704 -36.2105 GPRESSAVG: 1189000 -32.5049 -29.289 31.4026 -31.1438 69.9043 -8.14729 25.6723 -8.11137 -37.0502 TIMING: 1189000 CPU: 3445.73, 0.00287881/step Wall: 3445.73, 0.00287881/step, 3.04754 hours remaining, 206.976562 MB of memory in use. ENERGY: 1189000 743.5114 2130.4642 1922.8822 112.3726 -206249.0519 17920.3255 0.0000 0.0000 34057.5579 -149361.9382 297.4331 -183419.4960 -149266.0662 298.9780 11.3305 44.5036 556553.1958 0.1122 0.1164 PRESSURE: 1189200 -16.9973 -81.3953 63.457 -81.3954 144.467 -5.24695 63.4572 -5.24534 -38.776 GPRESSURE: 1189200 48.8259 -38.5306 34.9875 -65.0897 176.47 47.8908 51.7078 -50.8916 -37.6863 PRESSAVG: 1189200 -11.8287 9.95317 8.22117 9.95316 77.0948 -14.0909 8.22102 -14.091 -32.4694 GPRESSAVG: 1189200 -13.2447 9.80057 6.41018 10.7604 76.7992 -13.0367 8.7843 -15.9532 -30.9876 TIMING: 1189200 CPU: 3446.31, 0.00289242/step Wall: 3446.31, 0.00289242/step, 3.06179 hours remaining, 206.976562 MB of memory in use. ENERGY: 1189200 737.2481 2117.6570 1937.9312 116.9603 -206229.1733 17833.0398 0.0000 0.0000 34271.8798 -149214.4571 299.3049 -183486.3370 -149123.4004 299.0337 29.5647 62.5365 556809.0160 10.9322 10.8556 PRESSURE: 1189400 99.693 -196.311 45.9202 -196.311 -32.4528 -3.19776 45.9195 -3.19744 21.7261 GPRESSURE: 1189400 141.7 -170.984 44.3909 -107.307 12.8858 -92.9289 111.462 98.0201 40.3429 PRESSAVG: 1189400 19.9135 -8.19348 -2.16743 -8.19338 -44.2562 -39.8975 -2.16747 -39.8975 33.7102 GPRESSAVG: 1189400 19.7138 -8.11523 -3.14595 -10.0471 -43.9946 -41.7722 -0.721234 -39.0062 33.7936 TIMING: 1189400 CPU: 3446.88, 0.00288079/step Wall: 3446.88, 0.00288079/step, 3.04931 hours remaining, 206.976562 MB of memory in use. ENERGY: 1189400 734.8923 2126.1486 1935.5431 114.0359 -206250.2734 17683.2061 0.0000 0.0000 34471.8441 -149184.6033 301.0512 -183656.4474 -149084.8650 299.1473 29.6554 64.9762 556167.6173 3.1225 3.1709 PRESSURE: 1189600 -40.9988 111.629 152.115 111.629 -64.2259 -126.06 152.116 -126.061 -183.736 GPRESSURE: 1189600 -40.7898 94.0873 140.49 83.2051 -74.0319 -100.899 175.92 -135.426 -71.0319 PRESSAVG: 1189600 44.2285 -45.2088 4.75026 -45.2088 -42.5638 -46.3501 4.7502 -46.3501 -0.820315 GPRESSAVG: 1189600 44.8725 -45.5841 5.91814 -42.565 -42.7906 -46.7348 5.49759 -44.3076 -1.21947 TIMING: 1189600 CPU: 3447.46, 0.00288822/step Wall: 3447.46, 0.00288822/step, 3.05702 hours remaining, 206.976562 MB of memory in use. ENERGY: 1189600 758.6558 2024.2715 1945.2330 112.8596 -206142.4423 17689.0124 0.0000 0.0000 34259.6194 -149352.7906 299.1978 -183612.4100 -149256.4372 298.7820 -96.3203 -61.9512 557092.6865 0.2815 0.2875 PRESSURE: 1189800 -35.1183 81.5309 2.18946 81.5319 -158.626 -163.42 2.19021 -163.421 -223.441 GPRESSURE: 1189800 -62.0054 103.576 -80.7824 65.3737 -87.9096 -179.873 44.8869 -141.557 -158.381 PRESSAVG: 1189800 30.4057 -13.3742 45.1878 -13.3742 -8.1256 -90.8073 45.1878 -90.8073 -19.1382 GPRESSAVG: 1189800 30.8252 -12.6682 44.2466 -14.5183 -8.29715 -89.6788 41.9199 -91.0651 -19.6836 TIMING: 1189800 CPU: 3448.04, 0.00288409/step Wall: 3448.04, 0.00288409/step, 3.05249 hours remaining, 206.976562 MB of memory in use. ENERGY: 1189800 737.5757 2113.1172 1942.8788 106.1407 -206118.2650 17630.4077 0.0000 0.0000 34329.0997 -149259.0452 299.8046 -183588.1449 -149154.7860 299.4866 -139.0615 -102.7655 557771.1907 1.0473 0.9481 PRESSURE: 1190000 -344.031 -161.384 102.414 -161.384 154.239 -101.777 102.415 -101.777 -87.774 GPRESSURE: 1190000 -250.658 -226.7 41.9217 -100.479 135.022 13.207 162.661 -189.576 -64.0009 PRESSAVG: 1190000 -8.60312 -38.5096 8.37141 -38.5095 31.923 -54.771 8.37143 -54.771 -22.7909 GPRESSAVG: 1190000 -7.12456 -39.2413 8.16433 -39.9773 30.583 -53.8358 8.72899 -55.5862 -22.4454 TIMING: 1190000 CPU: 3448.61, 0.00287882/step Wall: 3448.61, 0.00287882/step, 3.04675 hours remaining, 206.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1190000 744.6568 2064.1419 1940.0533 104.9266 -206070.7289 17728.4263 0.0000 0.0000 34465.5577 -149022.9664 300.9963 -183488.5241 -148922.9526 299.4303 -92.5219 -59.8789 558846.7555 0.1763 0.3377 PRESSURE: 1190200 -26.9107 60.4495 21.4001 60.4505 330.598 -183.115 21.4006 -183.114 -188.594 GPRESSURE: 1190200 -35.1499 -9.63017 -78.1752 14.8278 387.196 -118.752 -2.69925 -192.544 -145.839 PRESSAVG: 1190200 -70.4479 9.36534 4.78746 9.3653 67.5272 -21.2288 4.78744 -21.2287 -12.2958 GPRESSAVG: 1190200 -72.8545 8.00321 4.12448 10.9894 69.7263 -21.2705 5.64681 -20.7112 -12.1969 TIMING: 1190200 CPU: 3449.19, 0.00288675/step Wall: 3449.19, 0.00288675/step, 3.05498 hours remaining, 206.976562 MB of memory in use. ENERGY: 1190200 769.7237 2028.6824 1958.6190 114.3753 -206070.5515 17853.6924 0.0000 0.0000 34318.3332 -149027.1254 299.7105 -183345.4587 -148932.9043 300.0937 38.3645 68.7356 558284.7991 -5.0722 -5.1084 PRESSURE: 1190400 -126.624 -126.941 83.2339 -126.942 -264.963 -117.915 83.2327 -117.916 -225.703 GPRESSURE: 1190400 -125.937 -101.296 99.6002 -87.4497 -207.981 -128.373 56.583 -60.0921 -191.593 PRESSAVG: 1190400 39.1987 -0.363487 25.222 -0.363471 13.1362 -31.9143 25.2219 -31.9143 -19.0663 GPRESSAVG: 1190400 40.9164 0.0276348 25.2476 -1.83992 12.0518 -31.5208 24.9036 -32.7103 -19.6866 TIMING: 1190400 CPU: 3449.77, 0.00289407/step Wall: 3449.77, 0.00289407/step, 3.06257 hours remaining, 206.976562 MB of memory in use. ENERGY: 1190400 814.3715 2084.5972 1939.9486 110.3116 -205765.4648 17600.0369 0.0000 0.0000 34278.0331 -148938.1660 299.3586 -183216.1991 -148851.4777 299.9782 -205.7633 -175.1701 559716.0647 11.0896 11.0939 PRESSURE: 1190600 95.0473 29.0255 96.9029 29.025 -47.5458 118.856 96.9031 118.857 -45.216 GPRESSURE: 1190600 145.556 -52.438 49.1676 76.7421 -3.86129 145.289 75.4372 126.868 -47.9673 PRESSAVG: 1190600 -5.79468 -10.4674 54.627 -10.4674 -5.92346 20.6257 54.6271 20.6257 3.95045 GPRESSAVG: 1190600 -6.32789 -10.7468 53.7107 -9.36534 -6.46686 20.4546 54.1596 20.4613 4.71189 TIMING: 1190600 CPU: 3450.35, 0.00290032/step Wall: 3450.35, 0.00290032/step, 3.06902 hours remaining, 206.976562 MB of memory in use. ENERGY: 1190600 784.9176 2051.4181 1940.2640 110.8712 -206267.4350 18075.6843 0.0000 0.0000 34475.1546 -148829.1252 301.0801 -183304.2798 -148732.5419 299.6079 0.7618 31.2424 559419.2920 -2.5892 -2.6943 PRESSURE: 1190800 182.699 -3.47798 -19.7932 -3.47816 118.41 35.8987 -19.7938 35.898 -142.931 GPRESSURE: 1190800 209.738 -57.5043 -36.4892 -60.8783 130.075 64.7584 16.2554 46.1847 -93.3288 PRESSAVG: 1190800 18.4406 33.422 59.7537 33.422 -22.2939 5.63305 59.7537 5.63297 -38.9923 GPRESSAVG: 1190800 18.991 34.4543 62.2967 33.0523 -22.3916 6.26815 58.6936 6.25761 -39.3207 TIMING: 1190800 CPU: 3450.93, 0.002889/step Wall: 3450.93, 0.002889/step, 3.05688 hours remaining, 206.976562 MB of memory in use. ENERGY: 1190800 725.3660 2102.8929 1947.0577 123.3268 -206287.6160 17961.5760 0.0000 0.0000 34472.1169 -148955.2797 301.0536 -183427.3966 -148861.4471 300.3839 52.7260 82.1614 558698.8102 -14.2818 -14.2404 PRESSURE: 1191000 -94.8803 19.8988 23.6868 19.8992 70.1401 59.5524 23.6853 59.5533 -205.252 GPRESSURE: 1191000 -94.7478 50.162 -12.5406 -75.203 107.18 15.1487 52.9247 -24.3668 -142.004 PRESSAVG: 1191000 -4.52701 -64.2153 26.125 -64.2153 35.6537 -14.0316 26.125 -14.0316 -42.9393 GPRESSAVG: 1191000 -4.84059 -65.7891 24.6423 -64.1348 36.1708 -17.6006 27.4525 -12.9608 -43.1191 TIMING: 1191000 CPU: 3451.51, 0.00288411/step Wall: 3451.51, 0.00288412/step, 3.05155 hours remaining, 206.976562 MB of memory in use. ENERGY: 1191000 750.4794 2108.6433 1961.2546 103.1242 -205813.2478 17579.6769 0.0000 0.0000 34519.4555 -148790.6139 301.4670 -183310.0695 -148693.3635 300.3646 -76.6640 -43.1904 557796.9157 -3.9375 -3.9296 PRESSURE: 1191200 -95.8437 -54.0448 102.981 -54.0454 388.951 138.601 102.981 138.601 174.636 GPRESSURE: 1191200 -53.2724 -85.0019 84.9137 -54.2389 376.574 179.295 42.1477 227.324 230.701 PRESSAVG: 1191200 23.1389 -26.5592 13.9053 -26.5593 -30.5357 35.4916 13.9052 35.4915 -45.5288 GPRESSAVG: 1191200 22.4996 -25.8234 14.6854 -26.5818 -30.8767 36.7128 14.0306 35.9828 -44.9794 TIMING: 1191200 CPU: 3452.08, 0.00289418/step Wall: 3452.08, 0.00289418/step, 3.06204 hours remaining, 206.976562 MB of memory in use. ENERGY: 1191200 745.8228 2158.0941 1946.7777 128.3770 -206019.2345 17961.0837 0.0000 0.0000 34403.6688 -148675.4104 300.4558 -183079.0792 -148579.5091 300.3639 155.9144 184.6675 557307.3318 -17.6419 -17.7855 PRESSURE: 1191400 263.078 6.1142 -2.38917 6.11382 149.543 64.7383 -2.38968 64.7409 15.6118 GPRESSURE: 1191400 267.099 -24.681 -24.3325 68.42 161.702 120.158 1.53192 24.0978 87.3873 PRESSAVG: 1191400 -28.3635 29.2131 6.87394 29.2131 36.6768 -32.5279 6.87397 -32.528 12.8041 GPRESSAVG: 1191400 -27.9075 29.4409 8.06802 28.5516 37.0091 -30.9963 5.35697 -34.1988 11.9392 TIMING: 1191400 CPU: 3452.66, 0.00289337/step Wall: 3452.66, 0.00289337/step, 3.06102 hours remaining, 206.976562 MB of memory in use. ENERGY: 1191400 748.0231 2114.6134 1938.0736 114.3588 -206214.3799 17972.8848 0.0000 0.0000 34577.8222 -148748.6040 301.9767 -183326.4262 -148650.5412 300.3288 142.7440 172.0628 558279.5302 7.0391 7.0136 PRESSURE: 1191600 -205.317 98.8328 196 98.8327 -30.3099 -96.09 196 -96.0886 113.356 GPRESSURE: 1191600 -130.717 184.222 138.634 15.6044 53.7687 -190.997 210.924 -26.0317 57.4014 PRESSAVG: 1191600 24.7635 2.33473 25.5435 2.33472 10.6948 -24.3284 25.5434 -24.3285 7.70733 GPRESSAVG: 1191600 23.5926 2.28054 21.5512 4.0458 11.5382 -25.5139 30.5968 -24.8462 8.72513 TIMING: 1191600 CPU: 3453.24, 0.00289162/step Wall: 3453.24, 0.00289162/step, 3.05902 hours remaining, 206.976562 MB of memory in use. ENERGY: 1191600 752.3734 2109.6575 1965.4436 110.5354 -205899.5811 17646.3179 0.0000 0.0000 34448.0071 -148867.2463 300.8430 -183315.2534 -148775.6862 300.5700 -40.7570 -6.5155 557325.0189 14.3885 14.6186 PRESSURE: 1191800 -38.8068 -148.625 154.647 -148.624 -238.025 -84.6924 154.648 -84.6934 16.8489 GPRESSURE: 1191800 4.94266 -107.503 100.565 -184.395 -166.933 -65.5586 215.526 -42.1052 12.8995 PRESSAVG: 1191800 -1.27396 6.91069 11.4946 6.9107 25.8913 0.678308 11.4945 0.678215 -78.5035 GPRESSAVG: 1191800 -0.887147 8.78559 12.1234 4.05845 24.5944 -1.74656 8.87724 2.50994 -77.4727 TIMING: 1191800 CPU: 3453.82, 0.00289294/step Wall: 3453.82, 0.00289294/step, 3.06025 hours remaining, 206.976562 MB of memory in use. ENERGY: 1191800 784.7755 2027.1166 1942.8217 119.9907 -206128.5842 17810.4815 0.0000 0.0000 34300.0167 -149143.3815 299.5506 -183443.3982 -149046.2699 299.7430 -86.6609 -49.6971 558251.1644 -17.9621 -17.9218 PRESSURE: 1192000 -54.1771 152.95 82.1053 152.95 121.434 22.1818 82.1058 22.1819 -134.769 GPRESSURE: 1192000 -43.0651 232.35 187.009 117.059 125.99 36.4545 -3.63784 -80.0935 -53.4872 PRESSAVG: 1192000 -19.8542 -35.1996 22.4018 -35.1996 77.9925 -30.1821 22.4018 -30.1821 -30.4281 GPRESSAVG: 1192000 -20.2131 -37.9757 24.3971 -33.7625 78.7429 -28.6123 22.6402 -31.7802 -30.6562 TIMING: 1192000 CPU: 3454.4, 0.00291206/step Wall: 3454.4, 0.00291206/step, 3.08032 hours remaining, 206.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1192000 733.6791 2092.5693 1932.9718 107.2386 -205997.5981 17780.9675 0.0000 0.0000 34353.7225 -148996.4494 300.0196 -183350.1718 -148896.2848 299.3747 -22.5040 9.8127 558333.5917 9.2368 9.2912 PRESSURE: 1192200 -98.6546 -135.349 -49.4123 -135.349 -266.028 13.7491 -49.411 13.7489 72.8854 GPRESSURE: 1192200 -125.286 -138.044 -57.1796 -102.198 -232.64 -8.65276 -40.1047 26.7 168.911 PRESSAVG: 1192200 7.23612 -43.218 14.9453 -43.2179 -78.5283 -31.8382 14.9451 -31.8382 44.9433 GPRESSAVG: 1192200 8.14255 -42.4735 13.6796 -41.9731 -79.1714 -32.534 12.8711 -30.4674 45.013 TIMING: 1192200 CPU: 3454.98, 0.00290752/step Wall: 3454.98, 0.00290752/step, 3.07535 hours remaining, 206.976562 MB of memory in use. ENERGY: 1192200 789.8698 2087.4910 1913.5576 114.0745 -206214.1679 17842.3481 0.0000 0.0000 34546.7520 -148920.0749 301.7054 -183466.8269 -148811.9237 300.1694 -97.2657 -63.0051 559050.0820 -8.7829 -8.6720 LDB: ============= START OF LOAD BALANCING ============== 3458.37 LDB: ============== END OF LOAD BALANCING =============== 3458.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3458.37 LDB: ============= START OF LOAD BALANCING ============== 3458.66 LDB: Largest compute 4820 load 0.022476 is 19.1% of average load 0.117954 LDB: Average compute 0.001702 is 1.4% of average load 0.117954 LDB: TIME 3458.66 LOAD: AVG 0.117954 MAX 0.183421 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.75 MB LDB: TIME 3458.66 LOAD: AVG 0.117954 MAX 0.183421 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.754 MB LDB: TIME 3458.66 LOAD: AVG 0.117954 MAX 0.183421 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3458.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3458.67 PRESSURE: 1192400 -166.185 -113.012 -136.939 -113.011 -305.096 -168.842 -136.939 -168.842 6.48468 GPRESSURE: 1192400 -162.741 -148.431 -143.802 -135.249 -225.979 -176.471 -97.8845 -229.303 38.3812 PRESSAVG: 1192400 13.1104 -40.4369 31.0683 -40.437 -36.6331 -17.0059 31.0682 -17.0059 22.194 GPRESSAVG: 1192400 14.9724 -42.4131 30.5372 -40.0792 -36.6874 -15.9431 34.248 -18.1739 20.6258 TIMING: 1192400 CPU: 3455.57, 0.00293836/step Wall: 3455.57, 0.00293836/step, 3.10781 hours remaining, 209.597656 MB of memory in use. ENERGY: 1192400 746.8733 2105.1402 1932.9924 113.5099 -205738.8974 17571.8772 0.0000 0.0000 34311.1623 -148957.3422 299.6479 -183268.5045 -148858.9273 300.0529 -154.9318 -116.7794 558928.9098 -0.4429 -0.3631 PRESSURE: 1192600 -255.762 -99.5338 109.093 -99.5333 -216.303 163.118 109.093 163.116 71.2513 GPRESSURE: 1192600 -228.138 -102.492 124.029 -106.855 -176.442 154.887 88.5014 131.914 93.0547 PRESSAVG: 1192600 64.5648 -3.32071 12.5837 -3.32066 -30.3906 -20.5184 12.5837 -20.5184 -3.12782 GPRESSAVG: 1192600 63.6122 -1.42337 14.1884 -3.03222 -30.5013 -20.7073 9.21092 -21.0187 -2.01846 TIMING: 1192600 CPU: 3456.15, 0.00290329/step Wall: 3456.15, 0.00290329/step, 3.07055 hours remaining, 209.667969 MB of memory in use. ENERGY: 1192600 723.4587 2115.0330 1945.3822 111.1533 -205986.1264 17500.8660 0.0000 0.0000 34313.6523 -149276.5810 299.6697 -183590.2333 -149176.6955 299.8060 -133.6045 -103.8417 557348.0341 10.3488 10.3642 PRESSURE: 1192800 66.6219 -6.66208 129.579 -6.66285 70.175 31.296 129.578 31.2971 -74.8264 GPRESSURE: 1192800 128.294 44.3071 188.783 0.737837 86.8327 68.7635 98.924 50.7747 -41.8132 PRESSAVG: 1192800 -3.11159 -0.532242 16.9206 -0.532235 5.88041 28.4137 16.9206 28.4137 -23.3623 GPRESSAVG: 1192800 -2.86887 -1.71702 16.7331 -2.6027 6.56414 29.5249 18.0196 28.5324 -24.3078 TIMING: 1192800 CPU: 3456.73, 0.00291445/step Wall: 3456.73, 0.00291445/step, 3.08219 hours remaining, 209.667969 MB of memory in use. ENERGY: 1192800 719.9737 2041.8762 1921.5127 123.0104 -205955.0107 17627.5202 0.0000 0.0000 34193.3188 -149327.7986 298.6188 -183521.1174 -149231.6324 298.9166 20.6569 57.7711 557598.3839 -6.8645 -6.8708 PRESSURE: 1193000 82.4442 181.155 31.2753 181.155 -406.124 -83.7546 31.2745 -83.7531 -80.6285 GPRESSURE: 1193000 103.011 130.63 -16.3671 293.54 -353.73 -68.8086 54.0966 -67.2967 -53.2179 PRESSAVG: 1193000 41.4414 94.2322 28.0426 94.2322 -10.741 25.7138 28.0426 25.7138 -40.2559 GPRESSAVG: 1193000 40.3074 93.1695 26.5482 96.4025 -10.2202 23.6058 28.5553 26.215 -39.1882 TIMING: 1193000 CPU: 3457.32, 0.00290834/step Wall: 3457.32, 0.00290834/step, 3.07557 hours remaining, 209.667969 MB of memory in use. ENERGY: 1193000 791.5262 2101.1290 1925.6454 104.3842 -206288.2326 17938.2019 0.0000 0.0000 34308.6623 -149118.6836 299.6261 -183427.3459 -149023.6388 299.6470 -134.7696 -101.3123 558127.0895 -3.1852 -3.0337 PRESSURE: 1193200 -336.173 163.383 12.3516 163.383 60.5141 52.0833 12.352 52.0841 -251.446 GPRESSURE: 1193200 -306.872 110.931 20.2939 158.278 86.2209 101.718 -6.19999 41.9307 -209.38 PRESSAVG: 1193200 12.0245 20.4118 22.6849 20.4118 22.3035 43.7551 22.6849 43.7551 -10.8607 GPRESSAVG: 1193200 13.1747 21.5064 23.3217 19.1629 20.7009 43.4071 22.172 44.2239 -10.6531 TIMING: 1193200 CPU: 3457.89, 0.00287396/step Wall: 3457.89, 0.00287396/step, 3.03905 hours remaining, 209.667969 MB of memory in use. ENERGY: 1193200 770.7470 2066.6160 1930.4520 121.0676 -206031.6055 17648.8538 0.0000 0.0000 34297.2354 -149196.6338 299.5263 -183493.8691 -149105.2614 299.7831 -175.7016 -143.3438 557661.4895 7.8225 7.7408 PRESSURE: 1193400 134.848 24.9669 -181.566 24.9676 -29.8868 -45.045 -181.566 -45.0461 -273.294 GPRESSURE: 1193400 174.661 140.705 -181.558 -44.4433 -28.8427 10.5929 -141.612 -139.054 -208.336 PRESSAVG: 1193400 2.30689 5.36916 -60.6462 5.36913 0.471386 30.5244 -60.6462 30.5243 24.929 GPRESSAVG: 1193400 1.99647 4.90531 -61.3607 6.05484 1.98381 29.514 -60.8752 30.0052 23.7763 TIMING: 1193400 CPU: 3458.47, 0.00291366/step Wall: 3458.47, 0.00291366/step, 3.08087 hours remaining, 209.667969 MB of memory in use. ENERGY: 1193400 732.1315 2030.3487 1945.1598 95.1595 -206179.5847 17722.5211 0.0000 0.0000 34303.7481 -149350.5161 299.5832 -183654.2642 -149251.6326 299.1125 -56.1110 -20.8392 556367.0781 9.2358 9.2522 PRESSURE: 1193600 168.791 -11.579 65.5563 -11.5799 -20.4845 -28.9136 65.556 -28.9138 196.57 GPRESSURE: 1193600 198.84 1.77689 103.338 2.06857 67.5121 -128.561 1.56471 -29.3797 189.629 PRESSAVG: 1193600 -5.04503 -3.78939 -21.7853 -3.7893 -14.5969 7.11834 -21.7853 7.11828 7.57702 GPRESSAVG: 1193600 -5.05469 -4.49192 -19.7538 -4.16287 -16.3204 8.82599 -20.1713 6.55797 9.20649 TIMING: 1193600 CPU: 3459.06, 0.00291598/step Wall: 3459.06, 0.00291598/step, 3.08316 hours remaining, 209.667969 MB of memory in use. ENERGY: 1193600 746.3527 2084.8791 1939.1414 104.7369 -206428.9590 18167.7222 0.0000 0.0000 33930.8742 -149455.2526 296.3268 -183386.1268 -149360.1275 298.4706 114.9590 151.9937 557375.2603 -4.0216 -4.0562 PRESSURE: 1193800 -78.8876 143.907 -122.123 143.906 -118.229 -102.619 -122.123 -102.62 39.0168 GPRESSURE: 1193800 -23.9668 187.129 -30.8555 77.8282 -72.7246 -212.551 -113.34 -122.951 46.2347 PRESSAVG: 1193800 -26.5286 28.5839 14.9947 28.584 -27.2568 15.8017 14.9947 15.8016 49.9255 GPRESSAVG: 1193800 -25.1637 29.9013 12.3205 27.0358 -27.8947 14.7316 15.5313 13.2299 49.3353 TIMING: 1193800 CPU: 3459.63, 0.00288197/step Wall: 3459.63, 0.00288197/step, 3.04705 hours remaining, 209.667969 MB of memory in use. ENERGY: 1193800 765.6327 2035.3925 1946.7221 112.3409 -206189.5751 17812.4090 0.0000 0.0000 34247.1844 -149269.8935 299.0892 -183517.0779 -149171.8651 298.8211 -52.7001 -16.8189 556892.7935 -1.2866 -1.2410 PRESSURE: 1194000 -91.4411 26.1591 28.9346 26.1586 -32.7764 172.48 28.9335 172.481 -175.898 GPRESSURE: 1194000 -50.4708 69.5509 -6.80185 11.911 -38.4154 211.714 36.5358 268.817 -125.369 PRESSAVG: 1194000 -44.8685 42.7791 -29.412 42.7791 65.0232 -20.0719 -29.412 -20.0719 -8.18789 GPRESSAVG: 1194000 -44.9503 42.2421 -27.2785 44.5275 65.3127 -18.8029 -33.6436 -17.9636 -8.30263 TIMING: 1194000 CPU: 3460.21, 0.00287359/step Wall: 3460.21, 0.00287359/step, 3.03802 hours remaining, 209.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1194000 768.9641 2063.5956 1948.1756 119.8840 -205922.7352 17713.6238 0.0000 0.0000 34082.0027 -149226.4894 297.6466 -183308.4922 -149130.9300 298.5452 -100.0385 -71.4186 557220.3643 3.9889 4.0199 PRESSURE: 1194200 243.203 -25.6341 -73.0625 -25.6343 285.149 -40.5423 -73.0616 -40.5418 -232.17 GPRESSURE: 1194200 268.618 40.4624 -129.219 -109.633 332.212 -116.193 -56.9409 28.0959 -214.774 PRESSAVG: 1194200 46.411 4.60205 33.7964 4.60205 -30.9066 -26.8197 33.7965 -26.8199 -36.5892 GPRESSAVG: 1194200 45.4316 4.66366 33.0557 2.76989 -30.6722 -27.6557 35.4639 -27.1219 -36.4798 TIMING: 1194200 CPU: 3460.79, 0.00288612/step Wall: 3460.79, 0.00288612/step, 3.05111 hours remaining, 209.667969 MB of memory in use. ENERGY: 1194200 770.0416 2097.8891 1972.4105 114.9611 -206177.1977 17977.8353 0.0000 0.0000 34366.0352 -148878.0248 300.1271 -183244.0600 -148785.4509 300.1481 98.7272 128.6855 557513.6810 -7.0283 -7.2401 PRESSURE: 1194400 -175.205 -99.1348 34.604 -99.1346 -461.564 41.5804 34.6039 41.5807 -252.847 GPRESSURE: 1194400 -190.186 -87.3916 -25.2849 -130.884 -411.199 -34.233 47.127 8.52275 -186.625 PRESSAVG: 1194400 -12.2568 -50.8069 46.3227 -50.8068 8.93571 -9.67482 46.3227 -9.67489 4.93898 GPRESSAVG: 1194400 -11.2501 -50.8944 47.9173 -49.5653 8.40327 -10.2782 47.2356 -6.57854 4.54747 TIMING: 1194400 CPU: 3461.36, 0.00289741/step Wall: 3461.36, 0.00289741/step, 3.06289 hours remaining, 209.667969 MB of memory in use. ENERGY: 1194400 791.6898 2035.9338 1941.0050 124.4505 -205962.8944 17522.1441 0.0000 0.0000 34482.2583 -149065.4129 301.1421 -183547.6712 -148963.3697 300.5630 -296.5389 -262.6702 557690.0267 0.5393 0.5669 PRESSURE: 1194600 -190.999 -179.693 183.542 -179.692 204.197 125.578 183.541 125.579 -318.715 GPRESSURE: 1194600 -156.608 -89.5737 179.252 -225.473 250.044 112.142 192.034 118.817 -303.019 PRESSAVG: 1194600 -14.4466 -15.3194 -25.3157 -15.3194 64.8325 83.7887 -25.3157 83.7887 -37.9896 GPRESSAVG: 1194600 -15.754 -15.9207 -26.156 -14.8278 65.7728 85.2891 -26.4085 80.4701 -37.7405 TIMING: 1194600 CPU: 3461.95, 0.00290281/step Wall: 3461.95, 0.00290281/step, 3.06843 hours remaining, 209.667969 MB of memory in use. ENERGY: 1194600 737.0991 2141.2440 1961.9696 109.8297 -206085.9280 17668.1237 0.0000 0.0000 34226.7526 -149240.9092 298.9107 -183467.6618 -149145.4023 299.6564 -101.8392 -69.8610 557976.7096 4.1321 4.0928 PRESSURE: 1194800 17.0348 -65.0208 48.589 -65.0205 61.1356 -49.7219 48.5883 -49.7229 -173.405 GPRESSURE: 1194800 43.4837 -16.2334 2.11892 -115.26 53.9618 -43.1148 39.7025 -43.6147 -102.429 PRESSAVG: 1194800 -71.783 37.6198 -0.648759 37.6198 57.5023 -8.96913 -0.648858 -8.96907 0.207674 GPRESSAVG: 1194800 -72.3938 37.5846 -1.45495 37.0464 57.8584 -9.57969 -0.131683 -8.89952 0.774884 TIMING: 1194800 CPU: 3462.53, 0.00290081/step Wall: 3462.53, 0.00290081/step, 3.06615 hours remaining, 209.667969 MB of memory in use. ENERGY: 1194800 738.1209 2070.8779 1974.2872 107.9960 -206395.3101 17822.8456 0.0000 0.0000 34391.6991 -149289.4834 300.3513 -183681.1825 -149184.3197 298.6486 -31.7448 -1.6613 559102.2459 -4.6910 -4.5868 PRESSURE: 1195000 130.015 -12.517 7.32448 -12.5161 -16.1561 -8.17031 7.32555 -8.16872 -180.356 GPRESSURE: 1195000 150.328 24.0558 -45.2809 -108.364 30.8905 7.20864 86.1905 -56.8055 -158.619 PRESSAVG: 1195000 -43.0384 32.6998 -27.4374 32.6998 -19.4032 -2.65816 -27.4374 -2.65813 12.1102 GPRESSAVG: 1195000 -41.7198 33.3547 -26.8821 32.7029 -19.876 -0.824217 -27.931 -1.55339 11.2417 TIMING: 1195000 CPU: 3463.11, 0.00289936/step Wall: 3463.11, 0.00289936/step, 3.06446 hours remaining, 209.667969 MB of memory in use. ENERGY: 1195000 766.0153 2147.6123 1926.3081 114.0289 -206225.8356 17829.8043 0.0000 0.0000 34271.9511 -149170.1155 299.3055 -183442.0666 -149072.7841 299.2047 -22.1657 7.5329 557817.2195 -16.7771 -16.7847 PRESSURE: 1195200 75.5733 -7.89737 176.57 -7.897 13.2419 73.1446 176.571 73.1446 258.984 GPRESSURE: 1195200 114.49 -52.3473 152.972 30.2825 91.1902 117.527 168.626 33.7286 251.531 PRESSAVG: 1195200 -18.1679 25.9565 70.8666 25.9565 5.85065 -35.7701 70.8666 -35.7701 41.8416 GPRESSAVG: 1195200 -18.888 25.2625 71.6166 25.907 5.74725 -36.0391 69.9976 -37.9136 42.662 TIMING: 1195200 CPU: 3463.69, 0.00290913/step Wall: 3463.69, 0.00290913/step, 3.07463 hours remaining, 209.667969 MB of memory in use. ENERGY: 1195200 743.4050 2066.4056 1942.8233 109.8259 -206725.9493 18227.9629 0.0000 0.0000 34361.3736 -149274.1529 300.0864 -183635.5265 -149174.2090 299.2726 115.9330 152.4040 557373.1519 9.8414 9.8404 PRESSURE: 1195400 24.42 74.3872 -18.9608 74.3863 -167.616 13.216 -18.9608 13.2157 201.277 GPRESSURE: 1195400 67.8613 24.1381 15.271 178.091 -127.968 47.9039 -88.3424 17.821 209.478 PRESSAVG: 1195400 -15.8272 34.1858 -4.47152 34.1857 28.1347 1.40136 -4.47166 1.40138 0.778733 GPRESSAVG: 1195400 -15.6629 33.9745 -6.78789 34.2443 28.4498 0.795851 -3.62245 3.19547 0.374544 TIMING: 1195400 CPU: 3464.26, 0.0028839/step Wall: 3464.26, 0.0028839/step, 3.0478 hours remaining, 209.667969 MB of memory in use. ENERGY: 1195400 757.5281 2032.2502 1948.3148 124.9957 -206442.3939 18028.4558 0.0000 0.0000 34339.7171 -149211.1322 299.8973 -183550.8493 -149120.4373 299.4468 19.3603 49.7906 558163.1895 4.3620 4.3871 PRESSURE: 1195600 -15.8734 -29.1169 -180.109 -29.1185 -127.714 -51.616 -180.108 -51.6156 -287.491 GPRESSURE: 1195600 1.50845 -18.5942 -157.548 13.4766 -81.407 -87.6495 -127.756 -12.7807 -250.099 PRESSAVG: 1195600 32.78 -55.3564 -36.3854 -55.3565 -18.4169 29.7338 -36.3854 29.7339 -45.8522 GPRESSAVG: 1195600 32.2786 -54.7226 -32.153 -56.0777 -18.3282 26.443 -37.1244 29.1256 -45.2733 TIMING: 1195600 CPU: 3464.85, 0.00290662/step Wall: 3464.85, 0.00290662/step, 3.07165 hours remaining, 209.667969 MB of memory in use. ENERGY: 1195600 750.6525 2157.7768 1928.5044 124.0397 -206185.2611 17777.2056 0.0000 0.0000 34204.2810 -149242.8012 298.7145 -183447.0822 -149149.6160 299.7632 -143.6927 -109.9991 559792.7654 -10.4964 -10.4409 PRESSURE: 1195800 120.518 129.671 -15.2257 129.671 -46.1457 68.7161 -15.2261 68.7142 -8.76439 GPRESSURE: 1195800 173.841 107.101 -38.3637 92.7327 13.6264 112.066 -57.9807 85.4794 -18.4618 PRESSAVG: 1195800 -17.0335 -1.51764 -35.7595 -1.5177 -1.43967 -56.0925 -35.7595 -56.0923 26.1665 GPRESSAVG: 1195800 -16.8351 -2.0596 -38.3191 -2.61728 -1.68001 -53.1182 -36.2532 -57.0829 26.259 TIMING: 1195800 CPU: 3465.42, 0.00289772/step Wall: 3465.42, 0.00289772/step, 3.06209 hours remaining, 209.667969 MB of memory in use. ENERGY: 1195800 740.5220 2011.8890 1945.9854 123.0057 -206205.8935 17901.5111 0.0000 0.0000 34362.3302 -149120.6501 300.0948 -183482.9803 -149021.4389 299.0890 21.8691 56.3353 557659.6534 2.5645 2.5813 PRESSURE: 1196000 -114.404 -0.580714 155.589 -0.580935 -143.92 129.217 155.588 129.219 -98.1034 GPRESSURE: 1196000 -42.6571 78.0616 86.5324 -101.326 -86.8108 174.027 148.946 171.32 -122.838 PRESSAVG: 1196000 82.7257 -34.952 -17.4568 -34.9521 -27.3655 11.247 -17.4568 11.2469 -55.7521 GPRESSAVG: 1196000 83.2441 -36.1079 -18.3786 -32.7704 -27.6293 11.5283 -15.4489 12.402 -56.0209 TIMING: 1196000 CPU: 3466.01, 0.00290553/step Wall: 3466.01, 0.00290553/step, 3.07018 hours remaining, 209.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1196000 749.9610 2038.8341 1943.3692 123.6022 -206148.7699 17683.3511 0.0000 0.0000 34550.4363 -149059.2160 301.7376 -183609.6523 -148961.4569 299.7047 -118.8094 -84.1018 556901.8707 -0.1306 -0.1353 PRESSURE: 1196200 121.514 -137.421 -155.132 -137.42 -2.38697 63.1859 -155.132 63.1839 28.066 GPRESSURE: 1196200 187.656 -30.1932 -169.35 -94.9387 -8.69807 9.74715 -95.0316 100.978 76.1106 PRESSAVG: 1196200 38.8947 -14.6862 27.7447 -14.6862 -77.0688 15.3849 27.7447 15.3848 -5.34364 GPRESSAVG: 1196200 40.1124 -13.3917 27.4758 -16.2277 -78.6226 12.5758 27.483 15.0829 -4.60607 TIMING: 1196200 CPU: 3466.59, 0.00291516/step Wall: 3466.59, 0.00291516/step, 3.08019 hours remaining, 209.667969 MB of memory in use. ENERGY: 1196200 761.8835 2036.9716 1936.8011 117.2526 -206185.8620 17865.0906 0.0000 0.0000 34397.5602 -149070.3024 300.4024 -183467.8626 -148976.7559 299.4852 49.0644 85.0228 556742.9090 -14.5059 -14.3721 LDB: ============= START OF LOAD BALANCING ============== 3469.98 LDB: ============== END OF LOAD BALANCING =============== 3469.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3469.98 LDB: ============= START OF LOAD BALANCING ============== 3470.27 LDB: Largest compute 4820 load 0.023966 is 20.3% of average load 0.117992 LDB: Average compute 0.001699 is 1.4% of average load 0.117992 LDB: TIME 3470.27 LOAD: AVG 0.117992 MAX 0.184789 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 3470.27 LOAD: AVG 0.117992 MAX 0.184789 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.977 MB LDB: TIME 3470.27 LOAD: AVG 0.117992 MAX 0.184789 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.977 MB LDB: ============== END OF LOAD BALANCING =============== 3470.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3470.27 PRESSURE: 1196400 59.9419 102.417 85.6479 102.417 53.1691 -127.366 85.647 -127.366 -71.6315 GPRESSURE: 1196400 45.7551 102.536 75.424 126.016 109.689 -117.856 33.7911 -105.954 -23.7635 PRESSAVG: 1196400 131.452 -48.224 29.0266 -48.224 -53.3122 9.25665 29.0266 9.25665 -57.5589 GPRESSAVG: 1196400 129.786 -51.1524 28.5505 -44.8522 -51.3366 10.553 29.6629 9.62499 -58.0247 TIMING: 1196400 CPU: 3467.18, 0.00294738/step Wall: 3467.18, 0.00294738/step, 3.11407 hours remaining, 206.386719 MB of memory in use. ENERGY: 1196400 750.0571 2031.5183 1929.4252 120.3885 -206154.1861 17754.2949 0.0000 0.0000 34441.3627 -149127.1395 300.7850 -183568.5022 -149027.7404 299.5115 13.8265 43.8935 555714.5487 6.8603 6.8083 PRESSURE: 1196600 43.4873 -42.1432 98.0944 -42.1433 -20.3977 -120.078 98.0947 -120.076 24.4795 GPRESSURE: 1196600 119.693 -44.0274 152.234 -5.81071 -0.0728217 -161.942 47.8481 -33.6882 25.9505 PRESSAVG: 1196600 70.6556 18.5027 46.0064 18.5028 -0.297262 9.61647 46.0064 9.61646 -71.9745 GPRESSAVG: 1196600 70.136 22.3426 46.9157 16.3116 -0.681344 10.3544 43.9957 9.40167 -71.4455 TIMING: 1196600 CPU: 3467.76, 0.00289168/step Wall: 3467.76, 0.00289168/step, 3.05506 hours remaining, 206.589844 MB of memory in use. ENERGY: 1196600 727.3448 2069.7072 1914.6977 119.1066 -206036.3015 17917.3769 0.0000 0.0000 34118.0545 -149170.0138 297.9615 -183288.0683 -149070.6859 300.0691 15.8564 48.5235 557976.6994 -0.5387 -0.6636 PRESSURE: 1196800 -135.275 -80.9001 137.363 -80.8997 -124.989 146.813 137.362 146.813 -51.1371 GPRESSURE: 1196800 -65.4555 -132.978 99.4318 -40.2531 -150.162 224.412 194.644 16.9022 -6.34279 PRESSAVG: 1196800 2.03912 -11.1407 37.4129 -11.1408 -35.3249 33.6628 37.413 33.6628 9.2065 GPRESSAVG: 1196800 2.9546 -13.2022 39.1137 -9.32946 -36.1611 33.2843 37.5799 32.8052 8.99354 TIMING: 1196800 CPU: 3468.34, 0.00289726/step Wall: 3468.34, 0.00289726/step, 3.06079 hours remaining, 206.589844 MB of memory in use. ENERGY: 1196800 745.0298 2021.1717 1959.0119 115.2617 -205964.0486 17688.8437 0.0000 0.0000 34342.2225 -149092.5073 299.9192 -183434.7298 -148991.8562 299.2971 -103.8003 -73.9866 558583.7297 -8.0264 -8.0710 PRESSURE: 1197000 32.9542 47.9793 -32.5919 47.977 -121.966 116.583 -32.5927 116.585 106.12 GPRESSURE: 1197000 84.8785 26.6574 -48.6741 94.1097 -61.96 131.102 -14.2106 71.6674 104.465 PRESSAVG: 1197000 10.7538 -17.2275 13.4731 -17.2275 -18.8725 4.76354 13.4732 4.7637 -48.3892 GPRESSAVG: 1197000 10.2669 -17.2632 11.2664 -17.2895 -18.1901 5.29026 14.2226 4.87344 -48.3504 TIMING: 1197000 CPU: 3468.91, 0.00288718/step Wall: 3468.91, 0.00288718/step, 3.04999 hours remaining, 206.589844 MB of memory in use. ENERGY: 1197000 765.6721 2080.1799 1939.8207 114.4895 -206329.3504 18051.9088 0.0000 0.0000 34287.6897 -149089.5897 299.4429 -183377.2793 -148996.0200 299.2167 5.7028 42.4611 557818.6039 -18.8360 -18.7579 PRESSURE: 1197200 -225.119 83.1906 -186.393 83.1896 -271.603 -25.0443 -186.393 -25.043 -312.094 GPRESSURE: 1197200 -166.24 109.981 -202.305 75.8064 -272.498 -7.25201 -170.069 -9.08834 -274.296 PRESSAVG: 1197200 71.9579 13.3015 -45.3435 13.3015 35.3544 6.49733 -45.3436 6.49724 -55.8499 GPRESSAVG: 1197200 71.6213 15.8777 -46.51 10.5767 34.986 6.43976 -45.5678 6.64367 -55.3565 TIMING: 1197200 CPU: 3469.49, 0.00288095/step Wall: 3469.49, 0.00288095/step, 3.04325 hours remaining, 206.589844 MB of memory in use. ENERGY: 1197200 771.7811 2049.9981 1946.3637 108.4992 -205820.2598 17508.3230 0.0000 0.0000 34470.0666 -148965.2281 301.0357 -183435.2946 -148865.1733 299.3888 -269.6053 -237.6780 558888.6773 17.1541 17.0836 PRESSURE: 1197400 -59.0444 44.2978 24.6843 44.2969 117.094 -19.8211 24.6847 -19.8211 194.654 GPRESSURE: 1197400 -3.65794 53.5165 -24.2852 -62.6917 141.866 -44.7614 27.4731 87.3863 215.234 PRESSAVG: 1197400 8.25376 18.3073 5.3935 18.3073 25.5721 7.51871 5.39342 7.51876 -19.5822 GPRESSAVG: 1197400 8.13062 17.8074 8.87739 18.512 25.5282 7.57994 3.6069 6.83527 -20.067 TIMING: 1197400 CPU: 3470.07, 0.00289531/step Wall: 3470.07, 0.00289531/step, 3.05826 hours remaining, 206.589844 MB of memory in use. ENERGY: 1197400 729.8226 2025.5808 1910.7501 118.0382 -206089.6366 17868.1030 0.0000 0.0000 34413.1169 -149024.2251 300.5383 -183437.3420 -148929.4231 300.2952 84.2343 117.8140 557423.9421 4.7479 4.5306 PRESSURE: 1197600 -110.265 27.3919 172.576 27.3921 -31.1639 -25.2016 172.577 -25.2011 192.527 GPRESSURE: 1197600 -105.285 -38.337 101.42 10.3816 15.4498 19.0977 138.64 -54.5143 248.316 PRESSAVG: 1197600 8.28815 -31.1599 1.41784 -31.16 17.1927 39.4449 1.41787 39.4449 31.0682 GPRESSAVG: 1197600 8.80006 -32.5321 1.00139 -30.6717 16.0273 39.9521 1.34212 40 31.9098 TIMING: 1197600 CPU: 3470.65, 0.00289442/step Wall: 3470.65, 0.00289442/step, 3.05715 hours remaining, 206.589844 MB of memory in use. ENERGY: 1197600 740.5583 2071.7986 1933.5458 92.8571 -205983.1591 17936.8903 0.0000 0.0000 34347.8581 -148859.6509 299.9684 -183207.5090 -148768.0303 300.5735 17.0329 52.8270 558897.5320 18.8497 18.9124 PRESSURE: 1197800 -168.896 61.9959 12.4969 61.9964 -396.089 -70.7323 12.4958 -70.7327 -39.9068 GPRESSURE: 1197800 -167.585 66.6935 49.1037 13.3653 -355.257 -90.5458 28.8236 -17.4616 13.5748 PRESSAVG: 1197800 -103.847 9.63688 -35.6612 9.63692 -43.4355 19.655 -35.6613 19.655 149.684 GPRESSAVG: 1197800 -105.048 9.32226 -38.5138 9.70623 -41.3388 18.1532 -32.6116 20.7014 148.66 TIMING: 1197800 CPU: 3471.23, 0.0028977/step Wall: 3471.23, 0.0028977/step, 3.06045 hours remaining, 206.589844 MB of memory in use. ENERGY: 1197800 767.3205 2080.1522 1944.1240 107.4947 -205695.5774 17475.3105 0.0000 0.0000 34457.2147 -148863.9609 300.9234 -183321.1756 -148773.0050 300.7483 -201.6306 -169.7557 558583.6878 0.8004 0.7577 PRESSURE: 1198000 -86.4555 104.097 4.56765 104.098 34.9209 73.4706 4.56731 73.4695 -43.6223 GPRESSURE: 1198000 -106.748 66.3352 18.239 74.6549 60.3162 59.2258 -8.18343 -35.574 40.7416 PRESSAVG: 1198000 -43.417 28.8407 -27.8088 28.8407 36.4874 -29.1267 -27.8087 -29.1266 73.6377 GPRESSAVG: 1198000 -42.4146 28.253 -27.075 29.5322 36.388 -28.8 -28.484 -29.6649 73.0113 TIMING: 1198000 CPU: 3471.82, 0.00293827/step Wall: 3471.82, 0.00293827/step, 3.10314 hours remaining, 206.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1198000 733.8829 2170.0599 1930.6655 108.5102 -205691.8885 17579.5821 0.0000 0.0000 34276.1591 -148893.0287 299.3422 -183169.1879 -148791.9124 300.2085 -31.7190 -1.8968 559388.7786 22.2360 22.3282 PRESSURE: 1198200 -104.983 -63.8519 -57.8185 -63.8524 -4.11006 90.1909 -57.8166 90.1924 -33.2638 GPRESSURE: 1198200 -92.9212 -21.6458 -29.5263 -46.2179 29.6185 95.676 -35.4388 118.458 11.0483 PRESSAVG: 1198200 -97.8182 13.6329 54.2284 13.6329 29.7191 17.4487 54.2285 17.4487 52.2871 GPRESSAVG: 1198200 -97.543 14.1918 55.365 11.7268 29.1068 18.2842 54.6534 15.3713 52.8615 TIMING: 1198200 CPU: 3472.4, 0.00291403/step Wall: 3472.4, 0.00291403/step, 3.07738 hours remaining, 206.589844 MB of memory in use. ENERGY: 1198200 755.6792 2139.7936 1911.6265 106.7566 -206107.6697 17891.8542 0.0000 0.0000 34361.5333 -148940.4263 300.0878 -183301.9595 -148849.6457 300.1271 -47.4525 -17.4181 558219.8842 -5.2707 -5.1916 PRESSURE: 1198400 41.0388 -80.0099 -36.8615 -80.0103 -72.9637 91.9529 -36.8627 91.9529 226.45 GPRESSURE: 1198400 75.1594 -86.9831 -115.037 -78.512 -68.8653 122.75 4.7515 62.2048 276.963 PRESSAVG: 1198400 -15.6817 23.8009 20.8316 23.801 27.922 12.9874 20.8315 12.9875 -2.84919 GPRESSAVG: 1198400 -16.039 23.9203 22.185 24.2094 28.5605 12.7301 19.6414 12.8664 -3.14052 TIMING: 1198400 CPU: 3472.98, 0.00291405/step Wall: 3472.98, 0.00291405/step, 3.07724 hours remaining, 206.589844 MB of memory in use. ENERGY: 1198400 740.2737 2106.4559 1905.3897 107.2475 -206214.7305 17952.1341 0.0000 0.0000 34453.2909 -148949.9388 300.8892 -183403.2296 -148859.2112 300.0455 64.8418 94.4189 557362.4278 3.1304 3.1270 PRESSURE: 1198600 -141.963 -64.6395 109.625 -64.6399 270.286 94.594 109.625 94.5942 -202.203 GPRESSURE: 1198600 -62.0473 35.2877 79.0852 -202.188 298.775 25.3485 67.9071 155.757 -207.18 PRESSAVG: 1198600 -82.7939 42.19 10.3146 42.1899 8.06669 10.0678 10.3146 10.0678 38.8775 GPRESSAVG: 1198600 -82.6942 42.2154 9.19071 41.8564 8.31786 10.325 10.721 12.189 38.8825 TIMING: 1198600 CPU: 3473.56, 0.00289359/step Wall: 3473.56, 0.00289359/step, 3.05547 hours remaining, 206.589844 MB of memory in use. ENERGY: 1198600 740.9683 2040.4989 1905.2564 115.4492 -205886.6113 17699.8281 0.0000 0.0000 34208.9549 -149175.6556 298.7553 -183384.6106 -149086.1162 299.9620 -24.6268 9.8491 556658.9791 -11.9499 -11.8313 PRESSURE: 1198800 -127.964 -61.6439 -68.9285 -61.6441 -282.789 -99.1176 -68.9274 -99.12 -234.601 GPRESSURE: 1198800 -112.935 -101.094 -92.5037 -21.7326 -267.686 -143.173 -112.849 -79.0656 -160.534 PRESSAVG: 1198800 -9.53473 -47.2374 22.2391 -47.2374 -0.775034 -5.17125 22.2392 -5.17118 -5.18589 GPRESSAVG: 1198800 -9.15692 -46.5508 22.6911 -49.4375 -1.49465 -5.77052 22.0673 -5.12685 -4.17312 TIMING: 1198800 CPU: 3474.14, 0.0029028/step Wall: 3474.14, 0.0029028/step, 3.06504 hours remaining, 206.589844 MB of memory in use. ENERGY: 1198800 788.9266 2080.1167 1951.8080 107.5371 -205773.4485 17612.3166 0.0000 0.0000 34374.9729 -148857.7705 300.2052 -183232.7434 -148764.0042 299.3892 -215.1178 -180.3849 558212.6850 -5.1652 -4.9416 PRESSURE: 1199000 -252.04 -212.603 -105.568 -212.602 -447.644 -117.967 -105.568 -117.965 -176.685 GPRESSURE: 1199000 -224.785 -209.009 -130.259 -155.21 -430.016 -10.2521 -142.548 -212.355 -124.49 PRESSAVG: 1199000 34.6971 -26.7583 1.66435 -26.7583 -16.7584 -79.618 1.66446 -79.6179 10.3791 GPRESSAVG: 1199000 33.8522 -29.1873 2.22567 -22.8643 -16.0196 -77.1313 2.15136 -82.9375 10.0553 TIMING: 1199000 CPU: 3474.72, 0.00289307/step Wall: 3474.72, 0.00289307/step, 3.0546 hours remaining, 206.589844 MB of memory in use. ENERGY: 1199000 784.6127 2121.2789 1919.4280 117.5179 -205421.8628 17337.3528 0.0000 0.0000 34320.1430 -148821.5296 299.7263 -183141.6726 -148729.3831 300.4401 -292.1227 -259.7636 558563.4003 9.4393 9.2959 PRESSURE: 1199200 -112.216 -59.2738 99.5069 -59.274 -187.979 -159.248 99.5069 -159.25 -136.077 GPRESSURE: 1199200 -70.2471 -39.75 180.966 -47.4469 -181.68 -167.132 -1.36169 -121.521 -98.9258 PRESSAVG: 1199200 -49.3657 -21.3378 10.0543 -21.3378 -18.4541 -39.7103 10.0544 -39.7104 90.8621 GPRESSAVG: 1199200 -49.3936 -18.0386 9.92667 -22.9954 -17.7927 -39.8861 10.148 -37.4096 89.8058 TIMING: 1199200 CPU: 3475.3, 0.00291073/step Wall: 3475.3, 0.00291073/step, 3.07309 hours remaining, 206.589844 MB of memory in use. ENERGY: 1199200 748.7214 2102.2450 1925.3284 110.7175 -205668.4464 17526.6181 0.0000 0.0000 34354.2340 -148900.5820 300.0241 -183254.8159 -148805.2977 299.8708 -145.4242 -116.9510 560243.8163 7.6808 7.5398 PRESSURE: 1199400 117.776 -101.931 -106.445 -101.932 327.437 -66.9033 -106.447 -66.9052 114.672 GPRESSURE: 1199400 139.422 -120.163 -97.5933 -78.0584 362.121 -28.4151 -117.961 -114.552 143.195 PRESSAVG: 1199400 35.7279 -15.8418 3.14999 -15.842 -23.2349 -9.37218 3.15003 -9.37211 -28.043 GPRESSAVG: 1199400 36.5065 -18.5112 4.50965 -14.0493 -25.1008 -11.5605 1.76867 -6.34605 -26.7325 TIMING: 1199400 CPU: 3475.88, 0.00290656/step Wall: 3475.88, 0.00290656/step, 3.06852 hours remaining, 206.589844 MB of memory in use. ENERGY: 1199400 748.3604 2157.1621 1924.8758 103.4806 -205985.1510 17941.0988 0.0000 0.0000 34127.1832 -148982.9900 298.0412 -183110.1732 -148887.3921 299.5259 186.6283 214.9127 558076.8878 -5.1833 -5.1089 PRESSURE: 1199600 -0.719337 -14.8958 -64.2352 -14.8958 -177.532 126.196 -64.2362 126.193 14.76 GPRESSURE: 1199600 78.8437 -69.9298 -56.5309 -7.8577 -106.842 123.967 -64.2335 135.553 -21.7719 PRESSAVG: 1199600 -36.4748 -23.017 -50.0103 -23.017 11.7452 53.7339 -50.0103 53.7338 18.0612 GPRESSAVG: 1199600 -36.3759 -21.9405 -52.3307 -22.7797 12.6325 53.356 -47.6349 52.8172 17.2834 TIMING: 1199600 CPU: 3476.46, 0.00290955/step Wall: 3476.46, 0.00290955/step, 3.07152 hours remaining, 206.589844 MB of memory in use. ENERGY: 1199600 734.9495 2113.4857 1929.2840 112.5207 -205736.6440 17726.9647 0.0000 0.0000 34166.5757 -148952.8636 298.3852 -183119.4393 -148857.8773 299.4852 -54.4971 -16.5901 558783.2131 -2.2228 -2.1534 PRESSURE: 1199800 -52.6269 41.797 -101.421 41.7961 24.7026 29.5328 -101.421 29.5323 -146.41 GPRESSURE: 1199800 -40.794 135.425 -2.04393 -30.2954 54.8221 -6.81812 -52.2216 -16.1536 -96.54 PRESSAVG: 1199800 -3.61737 3.86294 -33.7946 3.86283 0.655503 -1.04504 -33.7945 -1.04517 7.85997 GPRESSAVG: 1199800 -3.54993 1.9939 -33.2619 3.8674 -0.105618 -0.878391 -35.4556 -2.52017 8.23276 TIMING: 1199800 CPU: 3477.04, 0.00289578/step Wall: 3477.04, 0.00289578/step, 3.05682 hours remaining, 206.589844 MB of memory in use. ENERGY: 1199800 728.9969 2075.8767 1927.7512 114.1508 -206083.0751 17757.8402 0.0000 0.0000 34481.0579 -148997.4014 301.1317 -183478.4593 -148902.1037 299.7007 -58.1114 -27.5039 558231.5611 1.6327 1.5257 PRESSURE: 1200000 -137.544 86.1734 -55.6035 86.1723 178.941 125.947 -55.6046 125.946 76.5047 GPRESSURE: 1200000 -117.355 71.4779 28.2078 83.0407 243.437 149 -102.726 68.3332 89.2561 PRESSAVG: 1200000 -16.8929 7.95467 -21.4033 7.95461 21.4113 43.0222 -21.4033 43.0223 -20.5917 GPRESSAVG: 1200000 -16.4959 9.14841 -21.5279 6.06198 21.493 45.5394 -21.2099 42.6008 -20.8642 TIMING: 1200000 CPU: 3477.62, 0.00290847/step Wall: 3477.62, 0.00290847/step, 3.07006 hours remaining, 206.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1200000 728.9992 2088.2768 1930.4199 104.6449 -206013.0775 17901.3870 0.0000 0.0000 34019.9214 -149239.4284 297.1044 -183259.3498 -149143.2136 299.4889 39.3005 71.7793 557516.4620 -5.3578 -5.2890 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1200000 WRITING COORDINATES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1200200 -213.21 95.4165 84.0171 95.4166 -233.76 -67.6561 84.0146 -67.6584 89.2642 GPRESSURE: 1200200 -127.574 102.001 126.036 -21.271 -209.78 -71.1915 66.6546 -44.5984 62.4506 PRESSAVG: 1200200 30.8374 36.6575 32.6584 36.6574 -18.2507 -10.0287 32.6584 -10.0287 -23.2239 GPRESSAVG: 1200200 30.3033 36.1233 33.2616 36.9546 -18.3823 -12.5577 31.4044 -8.9189 -22.4435 TIMING: 1200200 CPU: 3478.22, 0.0029723/step Wall: 3478.22, 0.0029723/step, 3.13726 hours remaining, 207.894531 MB of memory in use. ENERGY: 1200200 723.0103 2108.1690 1928.4034 124.1085 -206036.3874 17541.4873 0.0000 0.0000 34433.4160 -149177.7929 300.7156 -183611.2089 -149082.3261 299.3341 -119.2353 -91.6343 557894.3490 -3.5457 -3.5075 LDB: ============= START OF LOAD BALANCING ============== 3481.6 LDB: ============== END OF LOAD BALANCING =============== 3481.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3481.61 LDB: ============= START OF LOAD BALANCING ============== 3481.9 LDB: Largest compute 4822 load 0.024609 is 20.9% of average load 0.117970 LDB: Average compute 0.001701 is 1.4% of average load 0.117970 LDB: TIME 3481.9 LOAD: AVG 0.11797 MAX 0.181381 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.078 MB LDB: TIME 3481.9 LOAD: AVG 0.11797 MAX 0.181381 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: TIME 3481.9 LOAD: AVG 0.11797 MAX 0.181381 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3481.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3481.9 PRESSURE: 1200400 -164.505 77.9055 120.925 77.9071 -216.85 -14.6025 120.925 -14.6015 -104.759 GPRESSURE: 1200400 -66.9811 120.647 151.088 100.197 -145.774 -83.5102 22.1628 117.557 -179.66 PRESSAVG: 1200400 -0.447367 2.80636 57.4191 2.80638 -53.1444 -10.0291 57.419 -10.029 34.0556 GPRESSAVG: 1200400 -0.885551 2.54359 57.3944 3.87172 -53.0621 -9.4879 60.0598 -9.25047 34.2772 TIMING: 1200400 CPU: 3478.81, 0.00294553/step Wall: 3478.81, 0.00294553/step, 3.10884 hours remaining, 209.156250 MB of memory in use. ENERGY: 1200400 747.9575 2126.5666 1914.9139 100.8724 -205461.7294 17489.5033 0.0000 0.0000 34234.8421 -148847.0735 298.9814 -183081.9156 -148750.5391 300.0551 -162.0378 -130.8051 557882.6898 -6.5121 -6.5568 PRESSURE: 1200600 248.129 192.885 34.029 192.886 -15.493 121.791 34.028 121.79 -31.6567 GPRESSURE: 1200600 314.284 187.952 84.8792 132.66 18.7204 136.688 21.1072 120.395 -31.6555 PRESSAVG: 1200600 -0.553253 -8.18763 10.1497 -8.18774 -58.5161 14.6519 10.1497 14.6518 74.376 GPRESSAVG: 1200600 -0.0334085 -5.6179 11.2455 -10.2999 -57.9348 14.9519 8.75813 14.5885 73.1928 TIMING: 1200600 CPU: 3479.39, 0.00290105/step Wall: 3479.39, 0.00290105/step, 3.06174 hours remaining, 209.226562 MB of memory in use. ENERGY: 1200600 738.4763 2181.7802 1930.4167 109.1611 -205887.0065 17876.0578 0.0000 0.0000 34375.3384 -148675.7760 300.2084 -183051.1144 -148580.9963 300.5513 66.9930 100.4496 557126.4696 5.1022 5.0749 PRESSURE: 1200800 -8.50782 98.8245 108.709 98.8254 -148.886 -32.5326 108.708 -32.5326 32.4136 GPRESSURE: 1200800 -15.4699 116.919 110.576 47.2207 -96.3646 -85.4559 195.564 54.39 69.4058 PRESSAVG: 1200800 41.9273 -5.50238 -10.3134 -5.50234 -60.5652 -37.88 -10.3133 -37.88 28.8807 GPRESSAVG: 1200800 42.0596 -6.72767 -13.2437 -5.11984 -60.1805 -37.0925 -10.3051 -40.0902 28.2233 TIMING: 1200800 CPU: 3479.97, 0.00290044/step Wall: 3479.97, 0.00290044/step, 3.06093 hours remaining, 209.226562 MB of memory in use. ENERGY: 1200800 751.4729 2114.0443 1920.7031 108.1284 -205601.7411 17634.0603 0.0000 0.0000 34270.8372 -148802.4950 299.2957 -183073.3321 -148704.8604 300.3520 -41.6600 -14.1429 559929.8493 3.4143 3.3675 PRESSURE: 1201000 93.7331 -161.151 -89.3032 -161.152 -274.733 9.14425 -89.3014 9.14035 238.014 GPRESSURE: 1201000 151.743 -155.391 -51.8 -215.756 -245.108 -41.8954 -107.814 64.8481 241.91 PRESSAVG: 1201000 17.9569 -35.3479 77.7403 -35.3479 -61.4821 -3.52284 77.7402 -3.52279 75.734 GPRESSAVG: 1201000 17.0871 -36.4513 76.3992 -31.8967 -61.1531 -4.87394 78.7992 -3.32125 76.6152 TIMING: 1201000 CPU: 3480.55, 0.00290682/step Wall: 3480.55, 0.00290683/step, 3.06751 hours remaining, 209.226562 MB of memory in use. ENERGY: 1201000 697.3496 2116.7912 1923.5824 107.7753 -205855.3738 17745.2840 0.0000 0.0000 34345.6410 -148918.9503 299.9490 -183264.5914 -148825.9942 299.5211 19.0046 49.5152 558155.5969 10.7363 10.8497 PRESSURE: 1201200 5.98496 68.9194 98.263 68.9193 -12.5142 71.6243 98.2631 71.6237 111.772 GPRESSURE: 1201200 13.1335 92.9873 117.169 51.8412 40.1415 58.3451 80.2292 73.629 158.828 PRESSAVG: 1201200 22.6604 -12.8311 25.5755 -12.8311 -57.2987 -31.3858 25.5755 -31.3858 30.4177 GPRESSAVG: 1201200 23.8559 -11.8039 26.8628 -16.2288 -57.073 -33.7499 26.4703 -29.8199 28.8463 TIMING: 1201200 CPU: 3481.13, 0.00289601/step Wall: 3481.13, 0.00289601/step, 3.05594 hours remaining, 209.226562 MB of memory in use. ENERGY: 1201200 758.7013 2078.6179 1928.6553 105.8841 -206064.0939 17879.1042 0.0000 0.0000 34269.6867 -149043.4444 299.2857 -183313.1311 -148941.4483 299.7312 35.0809 70.7009 557408.2987 -1.4069 -1.4569 PRESSURE: 1201400 127.187 -72.6559 -3.34125 -72.6563 314.16 -29.9517 -3.34157 -29.9508 93.5969 GPRESSURE: 1201400 168.849 -130.023 -88.8812 -17.0596 323.715 -24.3617 -33.8049 -20.1537 141.383 PRESSAVG: 1201400 57.9241 28.1325 4.14462 28.1324 -54.6963 14.2097 4.14455 14.2097 -32.211 GPRESSAVG: 1201400 58.2476 29.0403 4.51942 28.8668 -55.7507 16.0922 3.56301 13.6608 -31.5842 TIMING: 1201400 CPU: 3481.7, 0.00287658/step Wall: 3481.7, 0.00287658/step, 3.03527 hours remaining, 209.226562 MB of memory in use. ENERGY: 1201400 766.0886 2072.3767 1945.5053 117.0090 -206268.0074 17989.7735 0.0000 0.0000 34365.4440 -149011.8104 300.1220 -183377.2544 -148921.5258 300.1390 178.3148 211.3153 557599.9369 -9.6611 -9.6958 PRESSURE: 1201600 -99.7551 -29.4048 53.7639 -29.4054 136.266 158.34 53.7637 158.339 -44.2016 GPRESSURE: 1201600 -104.92 3.36824 14.0248 -10.1982 188.313 142.848 -18.7338 157.06 7.85031 PRESSAVG: 1201600 42.3913 61.0855 62.6297 61.0854 -13.8212 97.1595 62.6297 97.1595 -35.0663 GPRESSAVG: 1201600 41.3283 59.7147 62.5327 61.3435 -13.6309 99.3947 60.4512 96.4753 -34.3012 TIMING: 1201600 CPU: 3482.28, 0.00289965/step Wall: 3482.28, 0.00289965/step, 3.05945 hours remaining, 209.226562 MB of memory in use. ENERGY: 1201600 755.7208 2107.8813 1942.9231 107.1139 -206421.0474 18009.5102 0.0000 0.0000 34231.4847 -149266.4135 298.9521 -183497.8981 -149175.0832 299.4735 -2.5637 30.4144 557376.2882 -2.1654 -2.2013 PRESSURE: 1201800 33.1919 -67.9778 156.135 -67.9773 -306.791 -51.3689 156.136 -51.3702 26.002 GPRESSURE: 1201800 58.2062 -116.378 132.029 41.9464 -251.227 -99.578 83.8286 -45.5175 48.1092 PRESSAVG: 1201800 67.1841 15.744 18.67 15.7439 -64.4126 40.4417 18.6701 40.4417 -8.59441 GPRESSAVG: 1201800 68.6493 18.7983 20.9807 15.5556 -64.837 38.4404 19.0793 40.2261 -9.43404 TIMING: 1201800 CPU: 3482.86, 0.00289514/step Wall: 3482.86, 0.00289514/step, 3.05453 hours remaining, 209.226562 MB of memory in use. ENERGY: 1201800 756.5199 2078.8883 1945.3807 113.7083 -205884.6897 17606.5085 0.0000 0.0000 34182.3169 -149201.3671 298.5227 -183383.6840 -149102.8510 299.3564 -82.5322 -48.3039 558548.2953 -1.9410 -1.8739 PRESSURE: 1202000 55.5574 194.234 -75.4176 194.234 73.5269 -14.6988 -75.4167 -14.6993 -137.418 GPRESSURE: 1202000 64.7124 157.905 -1.52473 230.718 104.776 -9.37313 -129.43 15.4747 -71.9389 PRESSAVG: 1202000 -102.967 -31.6507 20.1292 -31.6507 1.00093 -23.4229 20.1292 -23.4229 76.059 GPRESSAVG: 1202000 -103.883 -32.9693 17.1369 -32.0234 0.354324 -20.28 22.3904 -25.6513 77.8145 TIMING: 1202000 CPU: 3483.44, 0.00289954/step Wall: 3483.44, 0.00289954/step, 3.05902 hours remaining, 209.226562 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: 1202000 685.4316 2099.1989 1928.9244 118.3630 -206043.2497 17770.8340 0.0000 0.0000 34273.8592 -149166.6386 299.3221 -183440.4979 -149067.0290 299.0166 -2.7779 32.5166 557410.5298 -8.6357 -8.5716 PRESSURE: 1202200 -322.482 -247.477 195.667 -247.476 -56.4738 -23.0706 195.667 -23.071 -170.823 GPRESSURE: 1202200 -257.381 -283.427 79.0633 -236.591 -33.4108 -32.296 224.848 -4.29293 -169.919 PRESSAVG: 1202200 -16.5016 -47.014 55.2594 -47.0139 31.7996 88.912 55.2595 88.9121 -2.6858 GPRESSAVG: 1202200 -15.8799 -46.1497 58.6018 -47.2952 32.3426 86.1869 53.4032 91.4635 -4.05096 TIMING: 1202200 CPU: 3484.03, 0.00291365/step Wall: 3484.03, 0.00291365/step, 3.07374 hours remaining, 209.226562 MB of memory in use. ENERGY: 1202200 754.3628 2065.8994 1943.1941 107.7893 -205987.3607 17714.7607 0.0000 0.0000 34265.6088 -149135.7455 299.2501 -183401.3543 -149040.8624 298.9762 -183.2596 -153.5701 558329.3500 4.2041 4.1372 PRESSURE: 1202400 121.63 60.7462 -50.1665 60.7466 -13.0733 -57.9847 -50.1661 -57.9847 102.778 GPRESSURE: 1202400 175.595 71.448 -98.1194 84.6757 26.0728 -86.2867 -46.6206 -25.7741 113.016 PRESSAVG: 1202400 -16.2305 -23.8216 -18.2731 -23.8216 47.1733 26.5117 -18.2732 26.5118 -16.8193 GPRESSAVG: 1202400 -17.892 -25.4288 -20.1846 -22.8397 47.8912 27.1035 -16.3812 27.1395 -15.966 TIMING: 1202400 CPU: 3484.6, 0.00289274/step Wall: 3484.6, 0.00289274/step, 3.05152 hours remaining, 209.226562 MB of memory in use. ENERGY: 1202400 756.3071 2098.1147 1954.5680 105.6824 -206287.1057 17843.1352 0.0000 0.0000 34491.8384 -149037.4600 301.2258 -183529.2984 -148940.4873 299.7752 70.4448 104.8947 557758.2557 4.7078 4.6777 PRESSURE: 1202600 61.4595 -87.2997 -19.9921 -87.2996 257.05 43.8208 -19.992 43.8215 -62.8642 GPRESSURE: 1202600 82.9586 -185.879 -23.0184 -104.22 265.667 20.0472 5.92364 -1.2175 -5.29055 PRESSAVG: 1202600 48.3715 -6.65495 2.06118 -6.65498 23.3867 -46.3566 2.06111 -46.3565 -80.163 GPRESSAVG: 1202600 48.387 -8.80875 3.20538 -6.8424 23.5073 -46.0038 0.810406 -45.744 -80.0511 TIMING: 1202600 CPU: 3485.18, 0.0029004/step Wall: 3485.18, 0.0029004/step, 3.05944 hours remaining, 209.226562 MB of memory in use. ENERGY: 1202600 743.4714 2154.0267 1917.7836 120.7689 -205948.3254 17822.2500 0.0000 0.0000 34260.2332 -148929.7915 299.2031 -183190.0247 -148838.0451 300.5338 85.2152 114.4451 558547.9664 -2.8016 -2.7189 PRESSURE: 1202800 252.83 25.5843 -7.66228 25.5845 51.9239 -75.3163 -7.66233 -75.3161 53.1307 GPRESSURE: 1202800 271.415 11.8956 27.6492 83.1372 90.6356 -72.3655 9.14543 -130.065 89.2652 PRESSAVG: 1202800 86.8945 -7.767 17.3499 -7.76701 -27.5455 20.0491 17.3498 20.0491 -31.5352 GPRESSAVG: 1202800 87.4851 -6.32437 15.5043 -7.24226 -28.9677 17.0099 18.4811 19.8679 -31.1478 TIMING: 1202800 CPU: 3485.77, 0.00291495/step Wall: 3485.77, 0.00291495/step, 3.07462 hours remaining, 209.226562 MB of memory in use. ENERGY: 1202800 752.4477 2104.6698 1909.6258 118.9893 -206147.5717 18072.7892 0.0000 0.0000 34231.5494 -148957.5006 298.9526 -183189.0500 -148867.4993 299.8654 119.2949 150.4384 558502.6242 9.2713 9.1232 PRESSURE: 1203000 -416.919 -45.1172 2.06636 -45.1166 -203.148 19.5722 2.06677 19.5712 -274.246 GPRESSURE: 1203000 -321.16 -120.628 -32.929 -23.1245 -201.874 20.2457 30.6544 9.70175 -266.592 PRESSAVG: 1203000 57.0975 -1.35998 25.4389 -1.36007 -1.40423 41.8175 25.4388 41.8175 -63.9804 GPRESSAVG: 1203000 57.285 -0.639635 27.078 -4.18638 0.574026 45.1736 25.6038 40.7535 -65.7317 TIMING: 1203000 CPU: 3486.35, 0.00289091/step Wall: 3486.35, 0.0028909/step, 3.0491 hours remaining, 209.226562 MB of memory in use. ENERGY: 1203000 806.3555 2066.0552 1947.4498 105.1586 -205840.4010 17610.4683 0.0000 0.0000 34230.9365 -149073.9770 298.9473 -183304.9136 -148976.6379 300.0790 -298.1043 -263.2085 559336.2126 -2.7624 -2.6242 PRESSURE: 1203200 -266.598 118.806 182.532 118.805 24.6517 -42.1706 182.532 -42.1685 274.864 GPRESSURE: 1203200 -162.975 189.124 86.7219 173.824 29.1253 -5.3664 270.723 -69.3897 274.033 PRESSAVG: 1203200 -15.4973 -25.5275 37.275 -25.5274 36.7073 -11.7063 37.275 -11.7063 28.8629 GPRESSAVG: 1203200 -14.1391 -24.4973 36.1325 -24.7032 34.1485 -12.6657 37.8258 -10.6112 30 TIMING: 1203200 CPU: 3486.93, 0.00290155/step Wall: 3486.93, 0.00290155/step, 3.06017 hours remaining, 209.226562 MB of memory in use. ENERGY: 1203200 774.2278 2034.3796 1938.0926 109.4668 -206011.4355 17878.3122 0.0000 0.0000 34254.7522 -149022.2045 299.1553 -183276.9566 -148928.0798 299.5577 10.9726 46.7278 558403.3394 16.6910 16.6698 PRESSURE: 1203400 18.2799 15.6253 -106.661 15.6242 -172.092 -7.71984 -106.661 -7.71797 -103.594 GPRESSURE: 1203400 91.658 -65.5139 -116.691 -26.8386 -112.554 -74.6256 -169.388 44.1225 -125.786 PRESSAVG: 1203400 -17.6694 -28.4519 -51.8499 -28.4517 28.6795 16.2694 -51.8499 16.2694 11.8391 GPRESSAVG: 1203400 -18.972 -32.2659 -50.6911 -27.144 29.9709 15.7002 -52.2046 15.0234 12.2018 TIMING: 1203400 CPU: 3487.51, 0.00290699/step Wall: 3487.51, 0.00290699/step, 3.06575 hours remaining, 209.226562 MB of memory in use. ENERGY: 1203400 738.5344 2069.2253 1946.5981 108.3607 -206117.9219 17834.5157 0.0000 0.0000 34280.6740 -149140.0138 299.3817 -183420.6878 -149050.9745 299.1424 -85.8022 -48.8939 556927.8485 7.6164 7.7336 PRESSURE: 1203600 -138.702 20.5382 13.9456 20.5391 77.9934 -87.6677 13.9455 -87.6685 113.642 GPRESSURE: 1203600 -66.5562 40.8703 -74.3186 -33.5469 89.2982 -47.7289 66.571 -86.7174 136.812 PRESSAVG: 1203600 -26.509 -31.5326 -38.0718 -31.5326 -2.97471 -31.985 -38.0719 -31.9849 16.6113 GPRESSAVG: 1203600 -26.9412 -29.9818 -39.5542 -33.2661 -1.67063 -32.3693 -38.7202 -31.3059 15.9951 TIMING: 1203600 CPU: 3488.09, 0.00290148/step Wall: 3488.09, 0.00290148/step, 3.05977 hours remaining, 209.226562 MB of memory in use. ENERGY: 1203600 723.2201 2054.1227 1949.0363 113.0667 -205739.6403 17558.1583 0.0000 0.0000 34334.8497 -149007.1865 299.8548 -183342.0362 -148906.5220 299.2205 17.6445 53.1847 556994.0296 -4.2908 -4.2056 PRESSURE: 1203800 -96.8893 156.599 -59.1531 156.598 86.9824 106.637 -59.1529 106.636 5.42082 GPRESSURE: 1203800 -95.4198 145.882 -29.3562 173.32 136.144 129.915 -69.4496 101.172 41.113 PRESSAVG: 1203800 -17.6518 -37.0002 12.4972 -37.0002 39.0296 -12.5045 12.4973 -12.5045 4.81059 GPRESSAVG: 1203800 -17.3393 -36.4198 14.4422 -34.7331 37.7993 -10.1801 11.6834 -12.9901 5.51042 TIMING: 1203800 CPU: 3488.66, 0.00288512/step Wall: 3488.66, 0.00288512/step, 3.04236 hours remaining, 209.226562 MB of memory in use. ENERGY: 1203800 773.6979 2072.8695 1936.7084 103.7945 -206414.6864 17914.0178 0.0000 0.0000 34617.6181 -148995.9801 302.3243 -183613.5982 -148899.4520 299.9499 -1.4954 27.2790 557576.0801 8.7295 8.6568 PRESSURE: 1204000 -113.118 45.1503 -78.4428 45.1497 -75.3234 120.039 -78.4415 120.038 -440.355 GPRESSURE: 1204000 -66.9139 37.9983 -116.118 63.9959 -57.5995 165.26 2.45763 74.3019 -424.527 PRESSAVG: 1204000 33.8069 16.917 -5.81839 16.917 -18.3563 5.3017 -5.81839 5.30167 -38.3457 GPRESSAVG: 1204000 33.9518 16.2209 -7.91389 16.6804 -17.8908 5.02683 -4.29046 3.43299 -39.3136 TIMING: 1204000 CPU: 3489.24, 0.00288307/step Wall: 3489.24, 0.00288307/step, 3.04004 hours remaining, 209.226562 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: 1204000 764.9646 2042.5301 1942.1548 117.6441 -205824.6864 17491.7198 0.0000 0.0000 34317.8339 -149147.8391 299.7062 -183465.6730 -149056.9008 299.7101 -209.5987 -183.0134 557823.4961 -7.6317 -7.7508 PRESSURE: 1204200 -5.58307 119.735 32.8615 119.734 101.309 141.502 32.8618 141.499 -27.9258 GPRESSURE: 1204200 -8.10502 97.3928 77.2767 101.754 190.983 131.777 50.5978 186.971 -15.6818 PRESSAVG: 1204200 33.225 -38.9057 9.22661 -38.9057 40.4381 -4.53318 9.22665 -4.53313 -76.495 GPRESSAVG: 1204200 33.6173 -39.0414 9.55692 -40.1275 39.9397 -5.9104 10.0921 -3.60931 -76.7003 TIMING: 1204200 CPU: 3489.82, 0.00290901/step Wall: 3489.82, 0.00290901/step, 3.06722 hours remaining, 209.226562 MB of memory in use. ENERGY: 1204200 736.8560 2118.7639 1905.8091 109.0509 -206084.3830 17720.3156 0.0000 0.0000 34227.6888 -149265.8988 298.9189 -183493.5875 -149174.3861 299.1000 22.6001 55.7320 557266.6224 -0.9440 -1.0477 LDB: ============= START OF LOAD BALANCING ============== 3493.21 LDB: ============== END OF LOAD BALANCING =============== 3493.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3493.22 LDB: ============= START OF LOAD BALANCING ============== 3493.51 LDB: Largest compute 4822 load 0.025494 is 21.6% of average load 0.117974 LDB: Average compute 0.001708 is 1.4% of average load 0.117974 LDB: TIME 3493.51 LOAD: AVG 0.117974 MAX 0.181551 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.414 MB LDB: TIME 3493.51 LOAD: AVG 0.117974 MAX 0.181551 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.414 MB LDB: TIME 3493.51 LOAD: AVG 0.117974 MAX 0.181551 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3493.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3493.52 PRESSURE: 1204400 133.169 -3.79991 117.421 -3.799 -41.8897 93.0775 117.421 93.0782 -43.1793 GPRESSURE: 1204400 98.4326 64.8019 20.74 25.088 22.506 67.3396 94.2859 98.4934 32.1442 PRESSAVG: 1204400 10.8544 2.72382 34.726 2.72386 4.81377 -5.17002 34.7259 -5.16994 -10.6222 GPRESSAVG: 1204400 10.2811 3.01816 34.441 4.33226 5.06099 -5.9311 34.7251 -1.66138 -10.3106 TIMING: 1204400 CPU: 3490.42, 0.00300138/step Wall: 3490.42, 0.00300138/step, 3.16446 hours remaining, 208.757812 MB of memory in use. ENERGY: 1204400 751.4537 2096.3051 1941.2053 105.1038 -206391.1849 17893.4574 0.0000 0.0000 34387.3969 -149216.2626 300.3137 -183603.6595 -149117.4766 299.5291 16.0335 51.0276 557643.5282 1.6820 1.6772 PRESSURE: 1204600 -52.3707 68.0396 99.8661 68.0399 -149.154 -110.274 99.8641 -110.275 -106.906 GPRESSURE: 1204600 -51.1619 68.061 111.669 116.412 -92.4539 -124.692 72.6408 -116.813 -71.1345 PRESSAVG: 1204600 39.7395 10.7672 28.0231 10.7672 11.3087 -31.2767 28.0232 -31.2767 -36.772 GPRESSAVG: 1204600 39.8979 10.3397 28.0257 10.6065 11.2588 -31.0126 27.4426 -33.7689 -36.6936 TIMING: 1204600 CPU: 3491.01, 0.00291486/step Wall: 3491.01, 0.00291486/step, 3.07308 hours remaining, 208.902344 MB of memory in use. ENERGY: 1204600 751.4862 2128.0930 1937.5175 116.6287 -205712.3993 17457.6536 0.0000 0.0000 34082.4309 -149238.5893 297.6503 -183321.0202 -149143.2624 299.1368 -102.8101 -71.5834 558572.9644 4.7588 4.8210 PRESSURE: 1204800 50.537 -202.565 119.535 -202.565 -116.141 -39.5413 119.535 -39.5409 -70.9952 GPRESSURE: 1204800 135.719 -219.176 92.9289 -240.612 -65.8156 0.983992 214.748 7.70357 -106.519 PRESSAVG: 1204800 45.8 -16.3649 60.8055 -16.365 -0.0912043 -29.0749 60.8056 -29.0749 -43.2729 GPRESSAVG: 1204800 47.3181 -15.414 62.7959 -17.2527 -0.774925 -28.626 59.412 -29.3696 -44.0613 TIMING: 1204800 CPU: 3491.59, 0.00291076/step Wall: 3491.59, 0.00291076/step, 3.06858 hours remaining, 209.023438 MB of memory in use. ENERGY: 1204800 782.3800 2132.8077 1923.1218 118.1239 -206406.9722 17907.0330 0.0000 0.0000 34130.4686 -149413.0372 298.0699 -183543.5058 -149317.8678 299.5584 -45.5330 -12.2053 558928.1309 0.8120 0.8273 PRESSURE: 1205000 -226.11 8.76745 0.0964759 8.76755 -239.831 -136.037 0.0969591 -136.038 -324.147 GPRESSURE: 1205000 -196.343 -74.9395 9.26027 30.3662 -160.902 -137.953 19.0216 -121.933 -337.041 PRESSAVG: 1205000 24.7549 -20.8863 39.0926 -20.8863 -33.6256 -61.2481 39.0926 -61.2482 7.83689 GPRESSAVG: 1205000 22.4738 -22.6401 37.197 -19.4491 -32.6112 -62.9276 41.3896 -59.4651 8.8372 TIMING: 1205000 CPU: 3492.17, 0.00291563/step Wall: 3492.17, 0.00291563/step, 3.07356 hours remaining, 209.023438 MB of memory in use. ENERGY: 1205000 766.9916 2081.2851 1931.7709 114.2998 -205837.8995 17528.0493 0.0000 0.0000 34061.4327 -149354.0702 297.4670 -183415.5028 -149256.2465 299.6046 -263.3628 -231.4288 558459.3287 -0.3446 -0.4334 PRESSURE: 1205200 247.601 -248.931 -130.843 -248.932 62.6399 102.153 -130.843 102.154 -140.102 GPRESSURE: 1205200 251.116 -212.964 -116.409 -277.788 144.715 91.7382 -212.684 118.371 -118.565 PRESSAVG: 1205200 62.6243 -41.758 -26.0591 -41.7581 -24.5151 -6.45942 -26.0592 -6.45956 -39.3411 GPRESSAVG: 1205200 61.8649 -41.2442 -25.0597 -43.2812 -24.5585 -4.45904 -28.0917 -6.89438 -38.642 TIMING: 1205200 CPU: 3492.75, 0.00290704/step Wall: 3492.75, 0.00290704/step, 3.06435 hours remaining, 209.023438 MB of memory in use. ENERGY: 1205200 767.8026 2114.3336 1925.1998 112.9145 -206586.8587 17921.9869 0.0000 0.0000 34354.3397 -149390.2815 300.0250 -183744.6212 -149287.3939 299.1343 56.7131 92.4218 555901.5162 -0.4106 -0.4452 PRESSURE: 1205400 -282.28 17.2392 -139.953 17.2392 -115.324 214.386 -139.952 214.387 76.9503 GPRESSURE: 1205400 -235.24 -58.6239 -134.617 64.1129 -109.141 219.331 -182.821 232.381 126.634 PRESSAVG: 1205400 -30.4693 -49.1547 -46.8876 -49.1547 80.9154 34.4893 -46.8877 34.4893 -31.7182 GPRESSAVG: 1205400 -30.0792 -48.9937 -45.4143 -48.8877 80.2536 36.0385 -46.3002 31.5886 -31.3015 TIMING: 1205400 CPU: 3493.33, 0.00290733/step Wall: 3493.33, 0.00290733/step, 3.06449 hours remaining, 209.023438 MB of memory in use. ENERGY: 1205400 766.6812 2076.8496 1928.2148 119.0229 -206203.6252 17616.8585 0.0000 0.0000 34238.7618 -149457.2364 299.0156 -183695.9982 -149361.1763 299.1583 -106.8848 -72.5826 556793.8675 6.2426 6.2910 PRESSURE: 1205600 -117.588 141.506 21.3714 141.505 -212.202 -13.2594 21.3703 -13.2593 -148.727 GPRESSURE: 1205600 -69.3012 76.8656 -6.03335 56.503 -215.127 41.5728 -14.4065 -38.3304 -83.0944 PRESSAVG: 1205600 -56.5365 -33.8222 -47.0837 -33.8223 64.7238 31.0081 -47.0836 31.0081 7.39694 GPRESSAVG: 1205600 -54.4803 -33.6846 -48.676 -32.4436 65.4944 27.6972 -47.0689 32.368 4.944 TIMING: 1205600 CPU: 3493.91, 0.00288629/step Wall: 3493.91, 0.00288629/step, 3.04215 hours remaining, 209.023438 MB of memory in use. ENERGY: 1205600 767.7572 2034.5675 1909.5986 119.4962 -206382.8972 17844.9706 0.0000 0.0000 34285.2670 -149421.2401 299.4218 -183706.5071 -149323.7974 298.9171 -159.5057 -122.5074 556813.1258 5.1947 5.3194 PRESSURE: 1205800 -171.335 -4.39633 107.747 -4.39606 51.9701 -65.2802 107.747 -65.2795 -168.746 GPRESSURE: 1205800 -151.093 -7.70216 79.1529 7.10904 99.3697 -13.9899 114.3 -131.349 -142.237 PRESSAVG: 1205800 -45.7225 -8.59591 -58.2081 -8.59583 53.2445 0.209017 -58.2081 0.20905 10.3428 GPRESSAVG: 1205800 -46.6296 -9.90966 -59.0946 -8.55218 52.9488 1.56382 -60.8461 2.86068 11.5607 TIMING: 1205800 CPU: 3494.5, 0.0029169/step Wall: 3494.5, 0.0029169/step, 3.07425 hours remaining, 209.023438 MB of memory in use. ENERGY: 1205800 736.9476 2116.4098 1932.9146 122.3837 -206039.3146 17669.8558 0.0000 0.0000 34130.8685 -149329.9347 298.0734 -183460.8031 -149236.2400 299.1364 -96.0368 -64.6534 558221.3948 5.9549 5.9599 PRESSURE: 1206000 -151.857 69.1406 26.7057 69.1398 -29.1346 -97.7799 26.7066 -97.7789 -272.109 GPRESSURE: 1206000 -103.288 23.2982 -11.2286 71.4425 -32.3948 -24.5134 68.9852 -135.389 -229.416 PRESSAVG: 1206000 -15.4979 -44.0579 13.8172 -44.0578 37.7181 41.0018 13.8172 41.0019 0.618652 GPRESSAVG: 1206000 -15.5384 -42.1076 15.9656 -44.9346 36.8683 40.8102 16.7251 37.9344 1.07959 TIMING: 1206000 CPU: 3495.08, 0.00290197/step Wall: 3495.08, 0.00290197/step, 3.05836 hours remaining, 209.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1206000 775.6755 2110.4502 1942.6239 118.5363 -206439.6419 17590.8274 0.0000 0.0000 34417.3136 -149484.2149 300.5750 -183901.5285 -149381.4839 299.3620 -151.0334 -121.6998 558038.5616 7.6130 7.4698 PRESSURE: 1206200 -265.802 94.4952 57.6668 94.4966 34.4279 -88.1352 57.6666 -88.1363 -22.1962 GPRESSURE: 1206200 -202.598 6.33426 74.1502 79.1965 65.7321 -101.635 48.4479 51.0518 -25.3107 PRESSAVG: 1206200 19.65 17.9706 -15.2015 17.9707 -24.8216 17.3559 -15.2014 17.3559 -3.12469 GPRESSAVG: 1206200 19.7245 18.0846 -15.0994 16.4567 -23.9619 19.4619 -15.6048 17.3835 -3.21285 TIMING: 1206200 CPU: 3495.65, 0.002892/step Wall: 3495.65, 0.002892/step, 3.04768 hours remaining, 209.023438 MB of memory in use. ENERGY: 1206200 765.2841 2116.0162 1921.8622 122.8500 -206324.8575 17751.2161 0.0000 0.0000 34168.2254 -149479.4034 298.3996 -183647.6288 -149383.3787 298.3476 -84.5235 -54.0588 557793.7146 -2.7654 -2.4834 PRESSURE: 1206400 -77.0119 34.5612 -7.62583 34.5616 143.272 153.11 -7.62646 153.11 -111.858 GPRESSURE: 1206400 -52.6956 38.9831 25.2304 12.4392 169.901 169.364 -83.8577 185.425 -79.833 PRESSAVG: 1206400 25.9089 29.1051 -18.5019 29.105 -6.85632 -11.4051 -18.5019 -11.405 -46.3384 GPRESSAVG: 1206400 24.6295 30.3035 -17.3553 28.1261 -8.31442 -13.7861 -19.6172 -9.33599 -43.2144 TIMING: 1206400 CPU: 3496.23, 0.00286909/step Wall: 3496.23, 0.00286909/step, 3.02339 hours remaining, 209.023438 MB of memory in use. ENERGY: 1206400 766.7224 2067.5982 1919.0892 113.9110 -206454.0279 18016.7751 0.0000 0.0000 34112.8833 -149457.0487 297.9163 -183569.9320 -149367.6005 297.5554 -15.1996 12.4576 558555.9043 -9.0953 -8.9664 PRESSURE: 1206600 -48.6982 223.396 -74.3499 223.395 -1.7074 151.287 -74.351 151.289 -202.966 GPRESSURE: 1206600 -72.7977 256.643 -129.258 209.675 63.1474 219.015 -26.9923 62.7474 -142.695 PRESSAVG: 1206600 7.80502 11.619 21.5794 11.6189 6.91213 48.1223 21.5795 48.1223 -20.8897 GPRESSAVG: 1206600 9.47662 10.2284 20.483 12.8115 7.19188 46.0262 22.7155 48.906 -23.1426 TIMING: 1206600 CPU: 3496.81, 0.00289017/step Wall: 3496.81, 0.00289017/step, 3.04544 hours remaining, 209.023438 MB of memory in use. ENERGY: 1206600 739.8644 2158.7027 1931.8706 115.6153 -205944.0250 17759.1375 0.0000 0.0000 33870.4848 -149368.3496 295.7994 -183238.8345 -149273.7653 299.1071 -84.4572 -50.7817 556979.5759 -2.0575 -2.1580 PRESSURE: 1206800 146.302 76.1834 201.683 76.1836 -7.13859 12.4909 201.685 12.4902 238.906 GPRESSURE: 1206800 189.942 25.3029 192.816 -3.71484 67.6847 96.0717 216.526 -59.6305 217.966 PRESSAVG: 1206800 30.937 57.1602 52.8977 57.1602 -89.0317 16.9943 52.8977 16.9944 61.4128 GPRESSAVG: 1206800 30.4994 56.7522 51.1911 56.0171 -88.1414 16.7964 53.7105 14.8542 60.8516 TIMING: 1206800 CPU: 3497.39, 0.00290949/step Wall: 3497.39, 0.00290949/step, 3.06563 hours remaining, 209.023438 MB of memory in use. ENERGY: 1206800 713.7671 2052.1722 1931.9415 90.9791 -206387.3101 18027.2774 0.0000 0.0000 34286.9636 -149284.2091 299.4366 -183571.1727 -149184.5530 298.2882 126.0230 158.5309 557966.4773 1.1060 1.0699 PRESSURE: 1207000 18.3729 -181.775 -83.0812 -181.773 -132.227 146.186 -83.081 146.186 111.186 GPRESSURE: 1207000 70.5997 -174.969 -102.296 -214.706 -81.4194 111.198 -99.4032 175.493 116.359 PRESSAVG: 1207000 49.0313 -46.9052 16.6817 -46.9053 -10.2268 -19.6795 16.6818 -19.6794 -58.7113 GPRESSAVG: 1207000 49.5822 -48.4847 16.3197 -45.5177 -10.6891 -17.4346 14.948 -20.2632 -58.0664 TIMING: 1207000 CPU: 3497.97, 0.00291049/step Wall: 3497.97, 0.00291049/step, 3.06653 hours remaining, 209.023438 MB of memory in use. ENERGY: 1207000 752.2527 2050.6863 1935.5821 119.5376 -206351.4593 17786.2210 0.0000 0.0000 34197.6111 -149509.5684 298.6562 -183707.1796 -149409.8259 298.4945 -0.8893 35.1798 558074.6226 -6.6356 -6.3911 PRESSURE: 1207200 -49.9529 -6.1689 179.964 -6.16866 -384.121 -69.6317 179.964 -69.6283 -314.292 GPRESSURE: 1207200 -16.7501 14.3927 175.895 -75.5749 -320.617 9.54358 66.2417 -81.1593 -301.157 PRESSAVG: 1207200 -11.0136 -1.57932 0.414267 -1.57925 29.5406 -16.3859 0.414208 -16.3859 -28.6724 GPRESSAVG: 1207200 -10.5387 -0.673449 0.595004 -3.28211 29.9195 -16.7449 -0.476625 -15.0279 -29.9145 TIMING: 1207200 CPU: 3498.55, 0.00292013/step Wall: 3498.55, 0.00292013/step, 3.07652 hours remaining, 209.023438 MB of memory in use. ENERGY: 1207200 771.4461 2129.7101 1961.8350 104.2816 -205997.1446 17586.2777 0.0000 0.0000 34208.7113 -149234.8828 298.7532 -183443.5940 -149138.0863 298.0017 -249.4552 -212.8416 558645.0585 -3.3818 -3.5112 PRESSURE: 1207400 -28.3361 72.6124 150.605 72.6106 97.1194 68.046 150.604 68.0453 -82.9789 GPRESSURE: 1207400 36.2927 128.386 185.132 22.7204 81.7713 122.422 92.2306 -9.53974 -33.1652 PRESSAVG: 1207400 5.33495 -25.4037 26.0667 -25.4036 36.3872 34.3057 26.0667 34.3057 -35.6802 GPRESSAVG: 1207400 4.74486 -24.2519 24.8426 -24.3743 35.1332 35.1061 28.2855 32.8267 -34.1814 TIMING: 1207400 CPU: 3499.14, 0.00292941/step Wall: 3499.14, 0.00292941/step, 3.08613 hours remaining, 209.023438 MB of memory in use. ENERGY: 1207400 750.4232 2125.0756 1953.2795 121.4518 -205919.3360 17537.0981 0.0000 0.0000 34399.6302 -149032.3775 300.4205 -183432.0078 -148932.7206 298.8186 -4.7318 28.2996 557694.6680 2.0140 1.8989 PRESSURE: 1207600 36.3391 -101.199 142.187 -101.2 -216.555 -62.9687 142.183 -62.968 -200.338 GPRESSURE: 1207600 145.028 -130.487 57.071 -117.685 -201.702 -71.8526 191.461 29.2173 -226.523 PRESSAVG: 1207600 -5.12874 -3.44976 20.9907 -3.4498 -4.32523 34.0165 20.9907 34.0166 -12.4973 GPRESSAVG: 1207600 -5.47697 -4.06654 20.3129 -2.69392 -2.38635 33.4707 20.8002 35.8365 -14.6185 TIMING: 1207600 CPU: 3499.72, 0.00291872/step Wall: 3499.72, 0.00291872/step, 3.07471 hours remaining, 209.023438 MB of memory in use. ENERGY: 1207600 799.0279 2084.6119 1944.2279 102.1430 -205754.7990 17604.4474 0.0000 0.0000 34130.4976 -149089.8433 298.0701 -183220.3409 -148995.1702 299.0902 -126.8512 -94.3993 557698.7331 -7.3171 -7.4940 PRESSURE: 1207800 -86.3218 39.6811 -251.826 39.6809 -147.639 213.417 -251.825 213.418 -115.797 GPRESSURE: 1207800 -92.0917 -23.8765 -136.25 62.2167 -123.545 287.001 -242.512 214.892 -29.6384 PRESSAVG: 1207800 -17.4434 5.09788 56.0568 5.09792 -21.5362 16.8451 56.0567 16.845 -5.36918 GPRESSAVG: 1207800 -17.8848 5.25901 57.8201 4.52068 -21.5437 14.2803 55.1495 17.1768 -4.99011 TIMING: 1207800 CPU: 3500.31, 0.00291541/step Wall: 3500.31, 0.00291541/step, 3.07106 hours remaining, 209.023438 MB of memory in use. ENERGY: 1207800 736.1363 2077.9613 1928.3267 114.9209 -206001.8667 17677.5083 0.0000 0.0000 34229.2917 -149237.7214 298.9329 -183467.0131 -149138.2658 298.2849 -116.5861 -81.7585 557518.8717 -14.7829 -14.8062 PRESSURE: 1208000 -235.035 105.967 131.897 105.967 70.0809 -54.6932 131.898 -54.6935 249.554 GPRESSURE: 1208000 -193.537 92.0554 209.334 77.2078 106.168 -7.30045 48.5446 -109.318 266.249 PRESSAVG: 1208000 -71.3798 7.24249 34.2427 7.24253 39.4351 20.5567 34.2427 20.5567 17.1551 GPRESSAVG: 1208000 -71.1103 6.06241 34.4543 5.05706 38.0073 24.4866 33.7714 17.6813 18.5218 TIMING: 1208000 CPU: 3500.89, 0.00292007/step Wall: 3500.89, 0.00292007/step, 3.07581 hours remaining, 209.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1208000 755.7535 2097.2681 1966.3364 112.0272 -206381.1170 17873.8062 0.0000 0.0000 34380.8248 -149195.1008 300.2563 -183575.9256 -149097.5651 299.6194 28.1998 59.6268 557691.0663 -4.9299 -4.8604 PRESSURE: 1208200 -165.701 -151.501 -108.03 -151.502 -88.1058 -155.117 -108.03 -155.117 62.318 GPRESSURE: 1208200 -126.495 -131.984 -111.512 -82.3465 -73.3966 -170.462 -82.1364 -205.491 99.1248 PRESSAVG: 1208200 14.528 42.0651 19.3593 42.065 -56.8303 -31.444 19.3593 -31.4439 33.203 GPRESSAVG: 1208200 13.8688 43.6808 19.8064 45.662 -55.8549 -31.5506 20.9029 -31.1512 32.2094 TIMING: 1208200 CPU: 3501.47, 0.00289428/step Wall: 3501.47, 0.00289428/step, 3.04848 hours remaining, 209.023438 MB of memory in use. ENERGY: 1208200 740.2067 2151.6335 1955.2712 110.9550 -205998.4830 17596.8847 0.0000 0.0000 34543.0041 -148900.5276 301.6726 -183443.5317 -148807.6532 300.1189 -63.8295 -33.5889 558033.4003 -3.0331 -3.2589 LDB: ============= START OF LOAD BALANCING ============== 3504.86 LDB: ============== END OF LOAD BALANCING =============== 3504.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3504.86 LDB: ============= START OF LOAD BALANCING ============== 3505.15 LDB: Largest compute 4822 load 0.025621 is 21.7% of average load 0.117949 LDB: Average compute 0.001718 is 1.5% of average load 0.117949 LDB: TIME 3505.15 LOAD: AVG 0.117949 MAX 0.178336 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 3505.15 LOAD: AVG 0.117949 MAX 0.178336 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: TIME 3505.15 LOAD: AVG 0.117949 MAX 0.178336 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3505.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3505.16 PRESSURE: 1208400 104.852 -45.9417 82.897 -45.9436 216.305 94.9947 82.895 94.995 -41.0514 GPRESSURE: 1208400 164.928 -15.4361 84.2077 -92.2645 249.142 71.7269 66.6757 78.158 -39.524 PRESSAVG: 1208400 36.7787 -30.7837 14.8078 -30.7838 -16.1866 16.4957 14.8077 16.4958 6.47079 GPRESSAVG: 1208400 37.34 -28.8282 14.7905 -35.3145 -16.6108 15.0409 13.3994 18.2075 6.3004 TIMING: 1208400 CPU: 3502.06, 0.00296296/step Wall: 3502.06, 0.00296296/step, 3.12065 hours remaining, 210.621094 MB of memory in use. ENERGY: 1208400 750.7249 2152.1304 1934.4167 116.2516 -206212.0165 17954.2768 0.0000 0.0000 34502.6427 -148801.5735 301.3202 -183304.2163 -148703.2731 300.3734 93.3685 124.8489 556805.2911 9.0210 9.0099 PRESSURE: 1208600 17.5203 24.1254 -150.3 24.1248 -4.56914 -2.46211 -150.301 -2.46296 -159.413 GPRESSURE: 1208600 39.9343 17.4583 -168.132 -54.7841 27.9675 -16.8916 -173.134 -44.6448 -112.276 PRESSAVG: 1208600 21.3975 -1.66039 -4.50075 -1.66037 -7.60913 45.2301 -4.50072 45.23 -7.16657 GPRESSAVG: 1208600 20.25 -3.26188 -5.53555 0.108529 -7.59582 45.0108 -4.48264 43.3931 -6.01433 TIMING: 1208600 CPU: 3502.64, 0.00290794/step Wall: 3502.64, 0.00290794/step, 3.06254 hours remaining, 210.621094 MB of memory in use. ENERGY: 1208600 741.5144 2111.4278 1912.3637 119.4134 -205847.4390 17766.8212 0.0000 0.0000 34463.1362 -148732.7623 300.9751 -183195.8986 -148624.9765 300.9053 -48.8205 -14.7916 558645.7864 2.2073 2.2133 PRESSURE: 1208800 137.544 -62.5035 -184.869 -62.5027 190.538 -115.886 -184.869 -115.885 172.12 GPRESSURE: 1208800 138.422 -49.5221 -152.958 -101.248 220.505 -156.449 -191.68 -94.9974 239.283 PRESSAVG: 1208800 -7.97659 -14.8156 -88.5817 -14.8157 69.7585 30.584 -88.5817 30.5839 9.69376 GPRESSAVG: 1208800 -7.74257 -15.0686 -86.3479 -12.3495 70.0578 32.2806 -88.0107 29.5976 9.33245 TIMING: 1208800 CPU: 3503.23, 0.00292354/step Wall: 3503.23, 0.00292354/step, 3.07881 hours remaining, 210.621094 MB of memory in use. ENERGY: 1208800 821.1443 2097.7784 1920.7269 110.6180 -206408.0615 18242.3571 0.0000 0.0000 34618.3195 -148597.1172 302.3304 -183215.4367 -148500.3018 299.8754 166.7342 199.4032 558371.7658 23.8252 23.8826 PRESSURE: 1209000 133.071 -77.6666 -204.438 -77.6683 -87.9035 -33.1895 -204.436 -33.1885 195.009 GPRESSURE: 1209000 189.463 -114.142 -211.568 -112.744 -97.9867 -148.861 -244.513 -24.4983 250.387 PRESSAVG: 1209000 36.9408 3.27438 -38.6705 3.27436 -2.17636 -51.3902 -38.6705 -51.3901 -22.4433 GPRESSAVG: 1209000 38.031 4.00495 -39.5152 2.16391 -2.93031 -54.3248 -38.3509 -49.0618 -22.7797 TIMING: 1209000 CPU: 3503.81, 0.00291715/step Wall: 3503.81, 0.00291715/step, 3.07193 hours remaining, 210.621094 MB of memory in use. ENERGY: 1209000 764.7444 2131.4625 1967.1871 99.5938 -206088.0583 17983.2398 0.0000 0.0000 34363.6546 -148778.1760 300.1063 -183141.8307 -148684.4451 300.1154 80.0589 113.9545 559763.5640 4.1071 4.1070 PRESSURE: 1209200 -15.2356 48.2826 26.1027 48.282 219.896 70.3854 26.1022 70.3855 112.339 GPRESSURE: 1209200 9.61917 -27.4585 39.6435 125.845 269.58 70.9971 16.7775 82.3651 131.962 PRESSAVG: 1209200 -4.4655 38.055 2.9496 38.055 19.2888 -8.15193 2.94956 -8.15195 -9.79612 GPRESSAVG: 1209200 -5.57257 36.4449 2.73748 37.7942 19.8105 -5.98327 2.7619 -9.17992 -8.89627 TIMING: 1209200 CPU: 3504.4, 0.00294294/step Wall: 3504.4, 0.00294294/step, 3.09891 hours remaining, 210.621094 MB of memory in use. ENERGY: 1209200 740.3087 2125.4155 1949.5349 119.3805 -206140.3950 18126.5089 0.0000 0.0000 34257.6303 -148821.6162 299.1804 -183079.2465 -148725.9302 300.3438 105.6667 137.0537 559994.7429 1.6757 1.7806 PRESSURE: 1209400 -24.6057 -66.1491 -86.7356 -66.1486 60.8672 32.861 -86.735 32.8599 64.3993 GPRESSURE: 1209400 -27.0595 20.243 -6.85259 -24.772 93.8961 21.4297 -77.0524 -11.0923 144.662 PRESSAVG: 1209400 -24.0385 40.1204 21.5212 40.1204 -28.946 1.43232 21.5211 1.43231 41.349 GPRESSAVG: 1209400 -23.374 41.4474 21.4201 39.9681 -30.2024 0.579927 20.2827 0.581733 42.1628 TIMING: 1209400 CPU: 3504.99, 0.0029338/step Wall: 3504.99, 0.0029338/step, 3.08913 hours remaining, 210.621094 MB of memory in use. ENERGY: 1209400 788.2381 2127.6238 1940.1167 116.0184 -206048.2462 17959.7792 0.0000 0.0000 34379.1070 -148737.3629 300.2413 -183116.4699 -148633.9365 299.8958 33.5536 70.4996 559066.1817 -3.8785 -3.8045 PRESSURE: 1209600 -92.793 -124.75 35.6128 -124.75 121.187 -12.4086 35.6138 -12.4072 21.2873 GPRESSURE: 1209600 -51.1159 -152.224 -10.6393 -138.229 150.64 -43.2575 144.105 15.3622 40.6623 PRESSAVG: 1209600 -6.67438 7.54183 25.4235 7.54174 -8.21224 -18.4859 25.4234 -18.4859 -11.9577 GPRESSAVG: 1209600 -6.54234 7.69663 26.0624 8.19901 -6.90189 -18.5565 26.8445 -19.3589 -13.4882 TIMING: 1209600 CPU: 3505.57, 0.00293044/step Wall: 3505.57, 0.00293044/step, 3.08543 hours remaining, 210.621094 MB of memory in use. ENERGY: 1209600 719.0744 2087.2037 1967.8583 122.5864 -205651.6396 17819.8287 0.0000 0.0000 34122.4189 -148812.6692 297.9996 -182935.0880 -148715.3408 300.5034 16.5603 46.7288 559415.7115 -8.9481 -8.9775 PRESSURE: 1209800 221.881 100.438 8.3043 100.438 27.2299 5.69685 8.30291 5.69757 146.792 GPRESSURE: 1209800 278.235 106.596 -46.1582 134.198 76.5572 74.212 99.5894 -27.9312 148.097 PRESSAVG: 1209800 32.6612 15.4812 -5.42841 15.4812 -38.8265 -3.74854 -5.42849 -3.74854 -3.90413 GPRESSAVG: 1209800 33.0964 14.6465 -6.4427 15.1272 -39.4983 -4.41839 -6.21006 -2.54448 -3.14557 TIMING: 1209800 CPU: 3506.16, 0.00292718/step Wall: 3506.16, 0.00292718/step, 3.08183 hours remaining, 210.621094 MB of memory in use. ENERGY: 1209800 734.8729 2118.5339 1943.3061 115.5974 -205852.7112 17912.7228 0.0000 0.0000 34366.5518 -148661.1263 300.1316 -183027.6781 -148570.7018 299.8064 131.9676 167.6298 558810.4430 -3.3565 -3.1825 PRESSURE: 1210000 -37.2049 -86.3897 -24.1117 -86.3898 -52.6359 42.7104 -24.1115 42.7098 -71.8667 GPRESSURE: 1210000 59.3065 -172.704 -153.464 -72.1839 -2.81862 -1.7591 37.5269 34.4892 -125.676 PRESSAVG: 1210000 32.8147 3.31489 25.9491 3.31486 26.0965 -1.84223 25.9492 -1.84219 -28.568 GPRESSAVG: 1210000 33.3358 4.47195 23.6833 5.03395 26.468 0.354149 25.888 -1.77611 -29.5195 TIMING: 1210000 CPU: 3506.74, 0.00290311/step Wall: 3506.74, 0.00290311/step, 3.05633 hours remaining, 210.621094 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: 1210000 783.1888 2066.3787 1945.3438 116.6706 -205863.3246 17730.7522 0.0000 0.0000 34532.9708 -148688.0197 301.5850 -183220.9905 -148588.5325 300.6939 -53.9025 -23.0628 557046.4654 10.1144 10.0948 PRESSURE: 1210200 -252.368 -0.0617864 105.541 -0.0635092 -88.8615 8.20437 105.541 8.20459 168.196 GPRESSURE: 1210200 -172.54 15.2919 57.3681 -23.8796 -52.5558 32.9846 189.38 83.3506 149.894 PRESSAVG: 1210200 -24.598 -17.5945 -52.4764 -17.5945 -1.29974 -2.67387 -52.4764 -2.6739 27.8068 GPRESSAVG: 1210200 -25.6416 -18.0941 -51.1877 -19.3556 -0.134295 -3.04625 -52.3692 -2.6624 27.5898 TIMING: 1210200 CPU: 3507.32, 0.00291751/step Wall: 3507.32, 0.00291751/step, 3.07132 hours remaining, 210.621094 MB of memory in use. ENERGY: 1210200 760.3581 2126.1809 1927.8771 118.4428 -205686.0008 17625.0665 0.0000 0.0000 34347.6028 -148780.4726 299.9662 -183128.0754 -148688.5717 300.7117 -57.6776 -25.0673 557687.4460 0.6364 0.6046 PRESSURE: 1210400 -95.4806 47.9055 -29.3035 47.9058 36.2506 -124.807 -29.3042 -124.807 -225.088 GPRESSURE: 1210400 -39.5349 -3.10266 -56.4784 57.7904 49.2282 -112.622 26.0792 -88.7224 -197.005 PRESSAVG: 1210400 -62.8469 5.78987 -6.58415 5.78993 -4.33413 -18.3801 -6.58419 -18.3801 44.7352 GPRESSAVG: 1210400 -62.698 7.90835 -4.72963 6.39861 -3.92887 -16.3514 -7.04433 -19.5317 44.4817 TIMING: 1210400 CPU: 3507.91, 0.00292544/step Wall: 3507.91, 0.00292545/step, 3.07952 hours remaining, 210.621094 MB of memory in use. ENERGY: 1210400 748.6705 2161.7226 1905.1777 104.7252 -205705.7476 17498.5245 0.0000 0.0000 34385.0200 -148901.9071 300.2929 -183286.9271 -148811.9753 300.3003 -94.7726 -62.4372 558769.9934 -7.4819 -7.3817 PRESSURE: 1210600 128.118 24.1551 14.1611 24.1541 -27.1489 77.8965 14.1614 77.8969 8.32933 GPRESSURE: 1210600 122.494 83.3878 27.894 51.5414 29.0791 87.7242 80.4468 27.6506 48.4674 PRESSAVG: 1210600 -51.9572 8.87094 -18.5014 8.87099 9.27295 -17.1208 -18.5014 -17.1207 52.1879 GPRESSAVG: 1210600 -52.8087 8.56324 -18.2739 7.30484 9.07263 -21.221 -18.4034 -15.6343 53.1946 TIMING: 1210600 CPU: 3508.49, 0.00292838/step Wall: 3508.49, 0.00292838/step, 3.08245 hours remaining, 210.621094 MB of memory in use. ENERGY: 1210600 748.5227 2126.5694 1932.1656 127.4294 -205932.9738 17788.4735 0.0000 0.0000 34196.1000 -149013.7133 298.6430 -183209.8133 -148915.6910 300.1172 36.4328 66.6802 557281.4032 3.1679 3.1529 PRESSURE: 1210800 -178.146 -32.1712 -4.59318 -32.1714 122.991 134.622 -4.59454 134.621 -188.484 GPRESSURE: 1210800 -134.542 -19.7578 -30.9157 -66.4921 112.885 118.765 -57.3662 154.229 -129.61 PRESSAVG: 1210800 -2.65232 43.6517 -19.1869 43.6517 17.3544 23.6804 -19.1868 23.6804 -15.0522 GPRESSAVG: 1210800 -1.24975 43.4772 -20.0559 43.1119 15.2514 23.0703 -18.3332 26.4626 -14.5308 TIMING: 1210800 CPU: 3509.07, 0.00290035/step Wall: 3509.07, 0.00290035/step, 3.05278 hours remaining, 210.621094 MB of memory in use. ENERGY: 1210800 734.4273 2131.0846 1916.6654 107.2335 -205697.7364 17443.6931 0.0000 0.0000 34269.0311 -149095.6014 299.2800 -183364.6325 -148990.2191 299.7428 -81.2130 -50.4222 557875.7795 -0.1167 -0.1764 PRESSURE: 1211000 247.703 71.3613 23.4282 71.3622 135.249 102.856 23.4286 102.855 -14.8564 GPRESSURE: 1211000 256.531 96.9325 49.6718 88.5503 151.081 85.2922 57.2809 68.5969 66.6582 PRESSAVG: 1211000 -8.13584 62.9856 -35.8105 62.9857 -35.8563 -4.22976 -35.8104 -4.22969 32.9115 GPRESSAVG: 1211000 -8.00449 62.1945 -37.4535 64.4677 -34.646 -1.22154 -36.3387 -6.42363 31.6035 TIMING: 1211000 CPU: 3509.66, 0.00291045/step Wall: 3509.66, 0.00291045/step, 3.06325 hours remaining, 210.621094 MB of memory in use. ENERGY: 1211000 716.8319 2130.3916 1940.0984 107.8040 -206122.1800 17891.1721 0.0000 0.0000 34251.1795 -149084.7027 299.1241 -183335.8821 -148986.7832 299.1719 122.6987 158.0903 555860.5270 -3.6936 -3.6823 PRESSURE: 1211200 -236.713 74.4922 -133.764 74.4925 -209.147 -21.5553 -133.764 -21.5536 57.1129 GPRESSURE: 1211200 -211.004 116.349 -173.772 108.36 -187.664 23.96 -123.566 -38.1242 109.657 PRESSAVG: 1211200 49.5038 25.686 -17.0471 25.686 -48.0601 -10.9774 -17.0472 -10.9774 16.6098 GPRESSAVG: 1211200 48.402 25.7834 -15.8058 26.1141 -48.0211 -12.022 -16.4575 -12.3756 18.3971 TIMING: 1211200 CPU: 3510.24, 0.00292071/step Wall: 3510.24, 0.00292071/step, 3.07389 hours remaining, 210.621094 MB of memory in use. ENERGY: 1211200 735.9983 2103.1121 1941.7805 107.4409 -205697.0945 17480.1769 0.0000 0.0000 34382.8992 -148945.6866 300.2744 -183328.5858 -148852.1403 300.1264 -129.5823 -96.3372 557318.3935 6.0178 6.2593 PRESSURE: 1211400 -0.0589023 267.699 -205.314 267.697 -116.876 -17.5685 -205.315 -17.5673 352.51 GPRESSURE: 1211400 40.2628 310.068 -297.869 356.13 -40.9483 -68.9701 -239.205 46.9345 330.993 PRESSAVG: 1211400 -15.701 15.6851 -54.5432 15.6851 -59.2892 10.3052 -54.5432 10.3052 61.4484 GPRESSAVG: 1211400 -15.1119 14.8772 -55.7786 15.3694 -58.9029 11.5875 -55.0881 9.16242 60.9087 TIMING: 1211400 CPU: 3510.83, 0.00292677/step Wall: 3510.83, 0.00292677/step, 3.0801 hours remaining, 210.621094 MB of memory in use. ENERGY: 1211400 713.9272 2121.6928 1928.6944 117.8241 -205868.5410 17771.3769 0.0000 0.0000 34317.1660 -148897.8596 299.7003 -183215.0255 -148795.5680 300.2441 78.5249 110.1024 557264.4144 -4.5139 -4.3687 PRESSURE: 1211600 60.3716 -66.4859 28.1735 -66.4843 41.8161 -28.3975 28.1741 -28.3961 117.73 GPRESSURE: 1211600 72.1356 -66.1342 14.323 -219.113 56.0785 -12.7384 -47.5973 -45.3304 181.041 PRESSAVG: 1211600 1.26446 -5.12471 -52.086 -5.12472 -49.8572 -30.9557 -52.086 -30.9557 80.8865 GPRESSAVG: 1211600 1.62755 -4.04013 -51.0766 -7.26999 -52.1221 -34.2623 -52.7042 -25.9119 82.6644 TIMING: 1211600 CPU: 3511.41, 0.00292021/step Wall: 3511.41, 0.00292021/step, 3.07303 hours remaining, 210.621094 MB of memory in use. ENERGY: 1211600 707.5416 2102.0263 1938.3979 110.3046 -206157.8787 17909.7287 0.0000 0.0000 34442.8848 -148946.9948 300.7983 -183389.8796 -148853.8512 300.3309 73.3061 103.0851 558137.0493 10.7646 10.7233 PRESSURE: 1211800 33.8539 -6.17575 7.50199 -6.17597 -3.19103 -115.613 7.50289 -115.612 60.7328 GPRESSURE: 1211800 54.5329 18.2026 -73.7073 -43.1127 65.9311 -146.644 84.3776 -61.4894 62.2473 PRESSAVG: 1211800 -55.1486 -43.0916 -44.8216 -43.0916 35.6498 -24.6434 -44.8216 -24.6434 25.3091 GPRESSAVG: 1211800 -55.2826 -44.6149 -45.5445 -41.0896 37.2738 -21.8973 -43.9817 -26.8997 24.2005 TIMING: 1211800 CPU: 3512, 0.00293507/step Wall: 3512, 0.00293507/step, 3.08851 hours remaining, 210.621094 MB of memory in use. ENERGY: 1211800 719.8773 2093.6426 1934.5313 125.6234 -206146.8060 17823.0726 0.0000 0.0000 34511.2641 -148938.7945 301.3955 -183450.0587 -148843.1947 299.8400 30.4652 60.9038 557603.1362 1.9368 2.0639 PRESSURE: 1212000 48.9761 -67.5486 72.898 -67.5478 257.904 54.688 72.8978 54.6877 9.89913 GPRESSURE: 1212000 18.3657 -20.6518 82.501 -125.69 322.233 29.989 53.6563 11.8093 60.3051 PRESSAVG: 1212000 14.9409 15.4027 22.5057 15.4028 -33.3418 51.6967 22.5056 51.6968 -6.20259 GPRESSAVG: 1212000 15.1723 15.3472 24.1733 14.9528 -33.7232 49.0772 20.4364 51.8804 -5.61222 TIMING: 1212000 CPU: 3512.58, 0.00292844/step Wall: 3512.58, 0.00292844/step, 3.08136 hours remaining, 210.621094 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: 1212000 754.0149 2133.4153 1944.3211 103.8943 -206164.4797 17972.0054 0.0000 0.0000 34436.3271 -148820.5016 300.7410 -183256.8287 -148725.3697 300.6659 105.5931 133.6347 557882.0292 -8.2011 -8.0544 PRESSURE: 1212200 -94.9392 120.804 76.4222 120.805 -381.454 -122.24 76.4232 -122.239 -183.067 GPRESSURE: 1212200 -24.3602 189.769 79.2229 54.1931 -371.903 -177.21 -8.04003 -137.731 -161.629 PRESSAVG: 1212200 10.7382 14.8588 9.45944 14.8589 -19.2797 56.5389 9.4594 56.5389 23.7856 GPRESSAVG: 1212200 10.1673 17.6652 7.90904 12.7335 -18.3197 57.566 11.7983 57.7114 23.2737 TIMING: 1212200 CPU: 3513.17, 0.00291481/step Wall: 3513.17, 0.00291481/step, 3.06687 hours remaining, 210.621094 MB of memory in use. ENERGY: 1212200 705.1090 2118.2295 1919.8017 107.7494 -205500.4460 17413.5457 0.0000 0.0000 34563.8948 -148672.1159 301.8551 -183236.0108 -148572.7604 300.8352 -219.8197 -185.9642 559356.6166 5.0814 5.0404 LDB: ============= START OF LOAD BALANCING ============== 3516.55 LDB: ============== END OF LOAD BALANCING =============== 3516.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3516.55 LDB: ============= START OF LOAD BALANCING ============== 3516.85 LDB: Largest compute 4822 load 0.029377 is 24.9% of average load 0.117950 LDB: Average compute 0.001713 is 1.5% of average load 0.117950 LDB: TIME 3516.85 LOAD: AVG 0.11795 MAX 0.181042 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 3516.85 LOAD: AVG 0.11795 MAX 0.181042 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.98 MB LDB: TIME 3516.85 LOAD: AVG 0.11795 MAX 0.181042 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.98 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3516.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3516.85 PRESSURE: 1212400 -3.97195 -104.985 24.1828 -104.985 -149.859 94.6584 24.1832 94.6587 -185.475 GPRESSURE: 1212400 26.3806 -116.844 15.7664 -92.378 -150.859 53.2654 44.6887 56.9847 -136.944 PRESSAVG: 1212400 108.575 -2.09846 22.2869 -2.09838 -62.6212 94.772 22.2868 94.772 -32.1913 GPRESSAVG: 1212400 110.273 -4.99703 24.893 -0.105755 -63.6875 93.4235 19.458 95.2308 -32.3132 TIMING: 1212400 CPU: 3513.76, 0.00296873/step Wall: 3513.76, 0.00296873/step, 3.12343 hours remaining, 209.097656 MB of memory in use. ENERGY: 1212400 748.9074 2103.3387 1963.1860 111.3038 -205842.9122 17621.6291 0.0000 0.0000 34580.8271 -148713.7202 302.0030 -183294.5473 -148615.0598 301.3501 -113.1022 -87.1406 558090.0793 4.5875 4.7574 PRESSURE: 1212600 137.043 127.215 87.7979 127.216 179.675 -96.0521 87.7977 -96.0509 -5.14795 GPRESSURE: 1212600 146.438 143.484 30.3334 162.206 236.497 -52.0403 61.6843 -197.15 7.10835 PRESSAVG: 1212600 32.4918 -79.6657 -16.197 -79.6657 -35.9348 -5.49172 -16.1969 -5.49169 -11.9561 GPRESSAVG: 1212600 31.143 -77.4618 -18.5611 -80.4117 -34.3087 -4.05127 -13.7339 -7.37458 -12.4328 TIMING: 1212600 CPU: 3514.34, 0.00290788/step Wall: 3514.34, 0.00290788/step, 3.05925 hours remaining, 209.097656 MB of memory in use. ENERGY: 1212600 736.8291 2103.1427 1954.4373 112.3596 -205714.9502 17797.3019 0.0000 0.0000 34295.1036 -148715.7760 299.5077 -183010.8795 -148625.8858 301.2933 103.8567 130.0147 557692.7880 -5.1330 -5.1995 PRESSURE: 1212800 170.937 131.22 112.248 131.22 -303.88 -48.2332 112.248 -48.232 -48.3195 GPRESSURE: 1212800 227.553 69.7192 147.984 134.725 -273.843 44.6207 140.707 -104.389 -32.6877 PRESSAVG: 1212800 25.9324 -11.9348 1.20515 -11.9348 -11.8184 -31.9326 1.20517 -31.9328 -5.92544 GPRESSAVG: 1212800 26.1609 -12.6839 1.94218 -11.0574 -12.8551 -31.8391 0.282368 -30.9986 -5.64192 TIMING: 1212800 CPU: 3514.92, 0.00290666/step Wall: 3514.92, 0.00290666/step, 3.05781 hours remaining, 209.214844 MB of memory in use. ENERGY: 1212800 775.0794 2104.0134 1950.8238 122.3165 -205904.2841 17683.8265 0.0000 0.0000 34459.3307 -148808.8936 300.9419 -183268.2244 -148715.9797 300.8040 -60.4208 -26.3261 556794.7938 2.7295 2.5546 PRESSURE: 1213000 33.2124 80.8636 -34.1807 80.8625 257.282 21.5647 -34.1811 21.5636 78.9001 GPRESSURE: 1213000 31.3101 35.1188 -38.0686 93.8148 348.849 43.3459 17.7262 29.1989 82.5262 PRESSAVG: 1213000 18.5408 -40.3171 5.06427 -40.3172 25.0679 -20.4586 5.06423 -20.4586 -36.7725 GPRESSAVG: 1213000 17.9568 -39.6971 3.90099 -40.4821 24.7686 -20.3249 6.63236 -21.2058 -36.1535 TIMING: 1213000 CPU: 3515.5, 0.00291422/step Wall: 3515.5, 0.00291422/step, 3.06559 hours remaining, 209.214844 MB of memory in use. ENERGY: 1213000 750.9236 2098.7340 1939.2456 111.4803 -206678.6918 18194.4716 0.0000 0.0000 34385.4302 -149198.4065 300.2965 -183583.8366 -149097.4789 299.6707 123.1315 154.2284 558340.7997 2.2787 2.1906 PRESSURE: 1213200 -168.679 52.7044 -144.818 52.7042 100.689 16.8102 -144.818 16.8092 15.4225 GPRESSURE: 1213200 -132.687 28.4278 -183.677 71.395 136.8 46.5228 -103.116 23.355 45.9429 PRESSAVG: 1213200 0.411918 -29.2665 -37.3304 -29.2665 12.1809 16.7082 -37.3304 16.7082 -18.4924 GPRESSAVG: 1213200 0.962143 -29.8895 -35.7774 -27.9366 11.4804 15.8954 -37.7971 16.9992 -18.641 TIMING: 1213200 CPU: 3516.09, 0.00291204/step Wall: 3516.09, 0.00291204/step, 3.06315 hours remaining, 209.214844 MB of memory in use. ENERGY: 1213200 789.9631 2066.9863 1939.8061 122.3884 -206181.5935 17909.7543 0.0000 0.0000 34065.1355 -149287.5597 297.4993 -183352.6953 -149191.4888 299.1272 -17.5222 16.6855 557852.5607 -1.9665 -2.0661 PRESSURE: 1213400 -55.8493 -123.427 -9.66001 -123.426 24.4335 -218.164 -9.65884 -218.164 -112.515 GPRESSURE: 1213400 -3.9154 -114.512 -3.86926 -144.48 -4.81149 -143.037 -42.9434 -254.835 -44.6939 PRESSAVG: 1213400 -10.4539 -13.9992 -28.8032 -13.9992 48.9409 -3.30873 -28.8032 -3.30875 0.748924 GPRESSAVG: 1213400 -10.9745 -14.088 -27.9787 -14.5758 48.5359 -2.66667 -31.5146 -4.44668 1.41897 TIMING: 1213400 CPU: 3516.67, 0.0029051/step Wall: 3516.67, 0.0029051/step, 3.05569 hours remaining, 209.214844 MB of memory in use. ENERGY: 1213400 750.6001 2021.4619 1926.7804 117.5760 -206109.7389 17752.6254 0.0000 0.0000 34496.3936 -149044.3015 301.2656 -183540.6951 -148945.8764 299.7023 -47.9770 -17.8069 558335.6740 13.0786 12.9935 PRESSURE: 1213600 110.226 55.5836 82.3995 55.5832 -80.4419 -14.7708 82.3991 -14.7711 -92.7894 GPRESSURE: 1213600 116.278 43.2597 180.564 30.2913 -36.3364 26.1803 19.3224 18.3477 -39.3602 PRESSAVG: 1213600 -27.9213 34.3731 -5.41585 34.3731 -46.0529 -6.77837 -5.41587 -6.77841 38.6728 GPRESSAVG: 1213600 -28.374 33.6721 -7.37262 33.2465 -44.5431 -8.11599 -3.4099 -3.95953 38.1452 TIMING: 1213600 CPU: 3517.25, 0.00290408/step Wall: 3517.25, 0.00290408/step, 3.05445 hours remaining, 209.214844 MB of memory in use. ENERGY: 1213600 721.8806 2048.2116 1944.7018 113.8970 -206243.6591 17926.1517 0.0000 0.0000 34448.6652 -149040.1512 300.8488 -183488.8164 -148941.4636 300.1088 -21.0016 13.5270 558874.1874 -11.7672 -11.5906 PRESSURE: 1213800 -188.181 -87.5878 -26.4457 -87.5873 49.885 -84.5164 -26.4434 -84.5169 22.8008 GPRESSURE: 1213800 -134.469 -61.7595 -133.209 -92.2167 50.4579 -54.2878 74.7358 -151.407 60.2722 PRESSAVG: 1213800 -24.3102 17.3576 32.5251 17.3576 -3.49812 -43.2195 32.5251 -43.2195 -4.75764 GPRESSAVG: 1213800 -23.7518 19.3105 30.2483 16.9159 -3.98894 -42.41 32.9307 -44.579 -5.4597 TIMING: 1213800 CPU: 3517.83, 0.00292149/step Wall: 3517.83, 0.00292149/step, 3.07259 hours remaining, 209.214844 MB of memory in use. ENERGY: 1213800 703.7831 2114.4782 1938.4430 128.2027 -206061.5742 17805.3357 0.0000 0.0000 34317.1979 -149054.1336 299.7006 -183371.3315 -148954.9054 299.7695 -38.4985 -7.9129 555832.1249 -10.8553 -11.0668 PRESSURE: 1214000 -355.291 -47.7295 -124.363 -47.7303 -310.6 153.581 -124.363 153.582 -309.48 GPRESSURE: 1214000 -337.838 -93.8478 -61.2659 -47.1136 -261.09 118.215 -170.421 116.917 -294.156 PRESSAVG: 1214000 -32.1306 27.0495 -1.35457 27.0495 26.1046 -85.1222 -1.35451 -85.1223 -17.6544 GPRESSAVG: 1214000 -31.7948 24.6406 0.790829 29.1727 25.4727 -82.7777 -0.336809 -88.8483 -17.2892 TIMING: 1214000 CPU: 3518.42, 0.00292274/step Wall: 3518.42, 0.00292274/step, 3.07375 hours remaining, 209.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1214000 780.2001 2120.6294 1940.7287 106.6978 -205687.8207 17299.1167 0.0000 0.0000 34351.6188 -149088.8291 300.0012 -183440.4480 -148986.1289 299.4400 -325.1234 -297.6945 558347.6012 -7.8935 -7.8704 PRESSURE: 1214200 -63.0984 -50.8366 -24.789 -50.8365 45.0322 27.7563 -24.7895 27.756 -153.782 GPRESSURE: 1214200 -15.5575 -95.3178 36.1097 -72.3947 83.1501 29.9916 -98.0739 68.398 -142.644 PRESSAVG: 1214200 -56.2769 15.8862 -9.36498 15.8862 70.8179 -39.0914 -9.36502 -39.0913 18.5436 GPRESSAVG: 1214200 -56.4394 16.2153 -10.6009 15.2324 70.8735 -43.0473 -9.92645 -36.2559 18.5485 TIMING: 1214200 CPU: 3519, 0.00291531/step Wall: 3519, 0.00291531/step, 3.06577 hours remaining, 209.214844 MB of memory in use. ENERGY: 1214200 715.7688 2145.0002 1953.9572 112.5355 -206187.5142 17880.9903 0.0000 0.0000 34288.3817 -149090.8805 299.4490 -183379.2622 -149001.0415 299.8810 -57.2828 -25.0172 559162.9518 11.0282 10.9942 PRESSURE: 1214400 -28.149 -99.2255 -145.203 -99.2254 226.509 45.8514 -145.203 45.8522 -126.994 GPRESSURE: 1214400 46.2447 -160.596 -162.728 -22.3135 209.183 70.7962 -96.4063 5.95671 -76.0376 PRESSAVG: 1214400 2.28622 -29.4425 -7.06584 -29.4426 5.77857 -28.0363 -7.06582 -28.0362 -9.5397 GPRESSAVG: 1214400 3.12828 -29.505 -5.78662 -30.6913 5.91627 -27.5724 -9.81435 -29.1313 -10.0847 TIMING: 1214400 CPU: 3519.58, 0.0028973/step Wall: 3519.58, 0.0028973/step, 3.04667 hours remaining, 209.214844 MB of memory in use. ENERGY: 1214400 740.6592 2106.2210 1971.2375 118.4284 -206225.7856 17779.4115 0.0000 0.0000 34428.9091 -149080.9190 300.6762 -183509.8280 -148980.7997 299.3622 23.7886 59.7966 557679.0278 -0.4916 -0.3467 PRESSURE: 1214600 -15.1542 -58.8474 258.43 -58.8472 145.692 52.6935 258.43 52.6918 -4.41079 GPRESSURE: 1214600 0.621007 -89.7598 250.744 -10.2262 106.044 0.834917 234.844 -25.6115 126.203 PRESSAVG: 1214600 18.0835 -20.8128 -44.2803 -20.8128 13.8747 21.2644 -44.2804 21.2644 -75.7093 GPRESSAVG: 1214600 18.4271 -20.1273 -44.6433 -19.9581 12.2455 21.8002 -42.3223 20.314 -74.7604 TIMING: 1214600 CPU: 3520.16, 0.00287941/step Wall: 3520.16, 0.00287941/step, 3.0277 hours remaining, 209.214844 MB of memory in use. ENERGY: 1214600 771.3656 2090.4558 1953.0046 109.0550 -206453.8325 17972.3003 0.0000 0.0000 34405.3154 -149152.3358 300.4702 -183557.6513 -149067.5463 299.2599 42.0424 77.6227 557516.8478 -14.5837 -14.6960 PRESSURE: 1214800 85.5067 -65.6195 -156.97 -65.619 103.66 -126.353 -156.971 -126.352 -185.956 GPRESSURE: 1214800 71.3215 -44.4247 -186.648 -59.3999 138.911 -220.414 -127.605 -111.787 -113.607 PRESSAVG: 1214800 4.96165 -61.1383 16.901 -61.1382 -28.7542 -2.1254 16.901 -2.12541 28.733 GPRESSAVG: 1214800 4.52493 -61.5081 16.5278 -61.1012 -26.9711 -1.53689 18.0928 -1.76929 27.6253 TIMING: 1214800 CPU: 3520.74, 0.00290528/step Wall: 3520.74, 0.00290528/step, 3.05474 hours remaining, 209.214844 MB of memory in use. ENERGY: 1214800 783.2009 2123.5904 1951.4281 116.2660 -206237.7994 17969.4362 0.0000 0.0000 34178.5118 -149115.3660 298.4894 -183293.8778 -149028.4206 299.8357 1.0704 32.2084 558701.1766 1.6468 1.7264 PRESSURE: 1215000 -27.9047 -177.531 -36.8033 -177.531 272.114 44.602 -36.8042 44.6016 -87.4746 GPRESSURE: 1215000 -24.6138 -102.384 22.2812 -214.402 274.745 44.0407 -89.1203 24.392 -1.01371 PRESSAVG: 1215000 26.8166 -22.261 -27.2215 -22.2611 -22.2974 36.1519 -27.2215 36.152 -41.0983 GPRESSAVG: 1215000 26.1107 -22.9832 -26.5403 -21.9561 -22.555 35.4284 -28.6425 36.2412 -40.1097 TIMING: 1215000 CPU: 3521.32, 0.00289978/step Wall: 3521.32, 0.00289978/step, 3.0488 hours remaining, 209.214844 MB of memory in use. ENERGY: 1215000 739.2189 2090.6690 1962.6871 103.8603 -206155.0476 17641.4939 0.0000 0.0000 34385.3875 -149231.7309 300.2961 -183617.1185 -149137.4116 299.0087 52.2449 83.0392 556039.0639 -12.1930 -12.1847 PRESSURE: 1215200 76.3338 -0.769023 -19.6378 -0.768839 -132.529 27.6478 -19.6365 27.6486 158.257 GPRESSURE: 1215200 128.926 -5.28878 29.7514 63.7909 -85.0881 -17.4647 -85.773 128.388 156.805 PRESSAVG: 1215200 -57.4195 -38.3691 -15.3046 -38.369 54.5658 10.1457 -15.3046 10.1456 20.711 GPRESSAVG: 1215200 -57.5809 -37.9161 -15.8172 -37.9994 55.0784 10.3962 -15.116 11.2522 20.4421 TIMING: 1215200 CPU: 3521.9, 0.00291696/step Wall: 3521.9, 0.00291696/step, 3.06669 hours remaining, 209.214844 MB of memory in use. ENERGY: 1215200 734.7312 2181.5367 1954.9823 100.8413 -206045.3424 17792.9874 0.0000 0.0000 34221.8330 -149058.4303 298.8678 -183280.2633 -148965.9463 300.2591 34.0207 66.8809 557519.8487 5.9524 5.9799 PRESSURE: 1215400 -101.208 -55.2164 -7.89558 -55.216 13.7537 -248.552 -7.8958 -248.551 -108.361 GPRESSURE: 1215400 -31.6569 -22.9197 -33.0061 -9.13707 1.68129 -190.628 69.0233 -179.866 -69.6333 PRESSAVG: 1215400 -8.10042 20.7865 -20.8381 20.7866 -25.1162 -2.54094 -20.8381 -2.54091 40.3097 GPRESSAVG: 1215400 -7.16946 20.1622 -21.3885 21.9821 -26.675 -1.63332 -20.9414 -2.08829 40.368 TIMING: 1215400 CPU: 3522.48, 0.00289962/step Wall: 3522.48, 0.00289962/step, 3.04831 hours remaining, 209.214844 MB of memory in use. ENERGY: 1215400 771.7557 2054.7518 1952.2087 119.7090 -206231.2878 17859.9503 0.0000 0.0000 34343.1300 -149129.7823 299.9271 -183472.9123 -149036.1469 299.1019 -65.2720 -33.2030 557089.4732 2.3644 2.1745 PRESSURE: 1215600 -95.0563 -78.5032 17.1376 -78.5031 -60.1764 -32.3072 17.1368 -32.307 -97.9149 GPRESSURE: 1215600 -31.4442 -35.0198 -21.9435 -124.295 -94.6329 -87.9184 23.3927 -98.9437 -29.7849 PRESSAVG: 1215600 -8.27624 35.2465 37.5598 35.2465 32.0299 42.1564 37.5599 42.1564 -26.2007 GPRESSAVG: 1215600 -8.36377 36.5869 39.3769 33.9737 31.7371 41.37 38.8347 42.2774 -26.9093 TIMING: 1215600 CPU: 3523.06, 0.00289791/step Wall: 3523.06, 0.00289791/step, 3.04634 hours remaining, 209.214844 MB of memory in use. ENERGY: 1215600 745.6430 2089.7432 1940.6652 108.6159 -206073.4803 17754.8123 0.0000 0.0000 34172.8017 -149261.1991 298.4396 -183434.0008 -149169.4325 299.4841 -84.3826 -51.9540 557031.8106 -0.8157 -1.1787 PRESSURE: 1215800 -177.585 -58.9883 35.9289 -58.989 116.211 20.1588 35.9301 20.1586 -309.346 GPRESSURE: 1215800 -123.279 6.35463 13.1316 -58.4827 141.351 26.1116 34.8217 -2.44525 -283.055 PRESSAVG: 1215800 7.71489 34.7069 18.7106 34.707 17.2436 39.7837 18.7107 39.7838 49.3638 GPRESSAVG: 1215800 7.23968 34.9254 18.4142 34.5109 17.9749 38.9103 19.3789 37.7205 49.3292 TIMING: 1215800 CPU: 3523.64, 0.00289322/step Wall: 3523.64, 0.00289322/step, 3.04126 hours remaining, 209.214844 MB of memory in use. ENERGY: 1215800 742.9902 2158.5970 1942.2669 102.8890 -206034.7265 17641.9718 0.0000 0.0000 34261.7815 -149184.2302 299.2167 -183446.0117 -149085.3695 299.3808 -123.5734 -88.3276 557177.1605 24.7741 24.8479 PRESSURE: 1216000 68.2815 34.7568 -94.4496 34.7563 90.0358 33.7031 -94.4494 33.7024 33.125 GPRESSURE: 1216000 15.9582 60.4476 -151.195 -24.1384 156.686 126.12 -100.563 78.0899 106.778 PRESSAVG: 1216000 28.2705 7.76042 16.2628 7.76039 -5.85604 -1.08368 16.2628 -1.08361 -47.2784 GPRESSAVG: 1216000 27.8425 6.18268 18.1385 7.9186 -5.46977 -2.32234 13.4318 0.824903 -47.4763 TIMING: 1216000 CPU: 3524.22, 0.00291896/step Wall: 3524.22, 0.00291896/step, 3.06815 hours remaining, 209.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1216000 756.3095 2100.0622 1949.7525 118.9228 -206316.8666 17811.0852 0.0000 0.0000 34397.7515 -149182.9828 300.4041 -183580.7344 -149089.2372 299.4932 63.8141 93.1409 555250.7762 -8.2880 -8.3679 PRESSURE: 1216200 261.32 51.5849 95.7799 51.5836 64.9205 -49.3332 95.7784 -49.3337 258.038 GPRESSURE: 1216200 304.387 19.8495 77.4349 26.2335 52.5052 -6.35605 117.718 -119.423 342.052 PRESSAVG: 1216200 -31.4099 -61.646 16.0036 -61.646 -4.07575 -32.966 16.0036 -32.966 25.6145 GPRESSAVG: 1216200 -31.4339 -60.7638 17.0773 -62.5271 -4.22263 -31.5891 15.8457 -35.0716 26.1553 TIMING: 1216200 CPU: 3524.8, 0.00289637/step Wall: 3524.8, 0.00289637/step, 3.04425 hours remaining, 209.214844 MB of memory in use. ENERGY: 1216200 722.1867 2142.2009 1960.4617 118.5303 -206242.5645 17928.1244 0.0000 0.0000 34212.8961 -149158.1643 298.7897 -183371.0605 -149060.5331 299.0626 194.7596 232.9814 557412.4038 -3.2904 -3.1671 LDB: ============= START OF LOAD BALANCING ============== 3528.19 LDB: ============== END OF LOAD BALANCING =============== 3528.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3528.19 LDB: ============= START OF LOAD BALANCING ============== 3528.48 LDB: Largest compute 4822 load 0.025030 is 21.2% of average load 0.118006 LDB: Average compute 0.001706 is 1.4% of average load 0.118006 LDB: TIME 3528.48 LOAD: AVG 0.118006 MAX 0.181182 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.051 MB LDB: TIME 3528.48 LOAD: AVG 0.118006 MAX 0.181182 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.109 MB LDB: TIME 3528.48 LOAD: AVG 0.118006 MAX 0.181182 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.109 MB LDB: ============== END OF LOAD BALANCING =============== 3528.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3528.49 PRESSURE: 1216400 -55.5776 -216.988 -193.068 -216.987 -222.431 7.45318 -193.068 7.45336 -57.8154 GPRESSURE: 1216400 -24.5442 -207.212 -129.919 -175.776 -177.066 -93.9584 -239.603 96.3701 -41.2711 PRESSAVG: 1216400 -10.1651 -54.5422 -8.67258 -54.5422 -19.7123 -6.42455 -8.67253 -6.42449 -7.28272 GPRESSAVG: 1216400 -7.99288 -52.9268 -10.7013 -54.0445 -19.9218 -7.31784 -7.45993 -5.09357 -9.0456 TIMING: 1216400 CPU: 3525.39, 0.00294989/step Wall: 3525.39, 0.00294989/step, 3.10034 hours remaining, 208.046875 MB of memory in use. ENERGY: 1216400 742.7277 2132.2665 1955.1531 117.6199 -206084.5479 17715.2918 0.0000 0.0000 34230.4745 -149191.0143 298.9432 -183421.4889 -149089.4237 299.7709 -111.9414 -80.9604 556734.8223 -12.3867 -12.3201 PRESSURE: 1216600 6.74011 64.1861 130.343 64.1859 -22.3897 -120.295 130.343 -120.295 167.773 GPRESSURE: 1216600 72.3992 84.5388 87.1845 15.4218 1.54114 -118.233 133.312 -122.733 158.856 PRESSAVG: 1216600 16.7091 -31.1224 -32.4018 -31.1223 -50.8161 -44.9258 -32.4017 -44.9258 44.6949 GPRESSAVG: 1216600 15.1215 -31.2955 -35.7067 -32.0283 -51 -42.8931 -31.5323 -46.1239 46.0145 TIMING: 1216600 CPU: 3525.97, 0.00291116/step Wall: 3525.97, 0.00291116/step, 3.05947 hours remaining, 208.304688 MB of memory in use. ENERGY: 1216600 746.8989 2111.6248 1960.7275 115.4527 -206168.4467 17844.3574 0.0000 0.0000 34297.1256 -149092.2597 299.5253 -183389.3854 -148999.7259 298.9668 50.7078 77.5987 556403.8573 3.5293 3.3787 PRESSURE: 1216800 -182.094 50.8563 209.688 50.8563 -310.698 26.5536 209.689 26.5532 -98.6395 GPRESSURE: 1216800 -132.829 87.3046 121.484 30.3923 -222.096 149.794 207.468 -35.404 -136.374 PRESSAVG: 1216800 51.3337 -16.8841 46.9494 -16.8841 -19.933 19.4708 46.9493 19.4708 -45.9818 GPRESSAVG: 1216800 49.8296 -18.4691 49.0449 -14.4649 -18.8834 19.8651 47.262 19.7189 -45.7908 TIMING: 1216800 CPU: 3526.56, 0.00293055/step Wall: 3526.56, 0.00293055/step, 3.07968 hours remaining, 208.304688 MB of memory in use. ENERGY: 1216800 785.2253 2122.7254 1953.9339 125.9046 -205831.4715 17498.4488 0.0000 0.0000 34343.8098 -149001.4236 299.9330 -183345.2335 -148902.9662 300.0145 -197.1439 -163.7666 557330.2503 -4.8604 -4.9482 PRESSURE: 1217000 -27.974 -30.0376 -38.4397 -30.0374 -92.3364 21.8757 -38.4392 21.8754 148.533 GPRESSURE: 1217000 36.7381 -5.86918 -82.5957 -37.3036 -60.2761 73.6336 16.8879 -9.78448 151.85 PRESSAVG: 1217000 14.3906 45.7688 16.6421 45.7687 -37.4607 -18.6207 16.6421 -18.6207 7.67108 GPRESSAVG: 1217000 15.0525 46.5457 19.9097 45.2021 -37.9955 -18.1635 14.5414 -18.1426 7.80177 TIMING: 1217000 CPU: 3527.15, 0.00293623/step Wall: 3527.15, 0.00293623/step, 3.08549 hours remaining, 208.406250 MB of memory in use. ENERGY: 1217000 763.5745 2035.4000 1944.2937 113.5754 -205718.8306 17755.9880 0.0000 0.0000 34104.5719 -149001.4271 297.8437 -183105.9990 -148902.7037 299.8601 9.4076 42.7706 557711.4436 -5.1330 -5.0471 PRESSURE: 1217200 -46.7383 117.638 150 117.639 123.243 -23.7957 150.001 -23.795 -121.578 GPRESSURE: 1217200 -13.694 151.262 115.922 129.746 96.4652 -14.0903 160.99 0.561272 -28.0327 PRESSAVG: 1217200 -39.0483 -0.118219 34.4772 -0.118204 -30.4256 2.02585 34.4772 2.02595 91.9569 GPRESSAVG: 1217200 -38.8799 0.776198 31.0649 -2.0425 -31.1787 1.90297 37.5099 1.14875 91.9438 TIMING: 1217200 CPU: 3527.73, 0.00291944/step Wall: 3527.73, 0.00291944/step, 3.06769 hours remaining, 208.406250 MB of memory in use. ENERGY: 1217200 775.7938 2095.1881 1933.3893 129.5085 -205929.0580 17685.7444 0.0000 0.0000 34268.3927 -149041.0412 299.2744 -183309.4339 -148947.3396 299.6909 -15.0243 18.2462 556625.8986 7.4943 7.2950 PRESSURE: 1217400 254.054 66.914 -29.5984 66.9129 -250.655 -10.2589 -29.5979 -10.2598 152.694 GPRESSURE: 1217400 246.155 -63.8799 30.8033 71.8584 -190.554 64.1336 53.1513 -94.0037 203.958 PRESSAVG: 1217400 -28.6786 34.8113 17.7394 34.8113 7.19134 31.897 17.7394 31.897 14.0081 GPRESSAVG: 1217400 -28.8501 33.2638 18.2659 35.8178 6.50973 28.4974 18.7422 35.6568 14.221 TIMING: 1217400 CPU: 3528.32, 0.00294561/step Wall: 3528.32, 0.00294561/step, 3.09502 hours remaining, 208.460938 MB of memory in use. ENERGY: 1217400 731.9322 2141.0179 1935.7387 102.8983 -206335.8297 17917.0703 0.0000 0.0000 34399.5828 -149107.5895 300.4201 -183507.1723 -149003.4305 300.0209 52.0312 86.5195 557422.5727 -2.4931 -2.7064 PRESSURE: 1217600 142.607 8.44839 140.477 8.44767 265.242 -100.82 140.475 -100.82 67.2447 GPRESSURE: 1217600 140.302 26.5153 166.75 -72.5847 279.941 -181.465 95.5883 -84.8016 154.55 PRESSAVG: 1217600 -54.6512 -56.925 4.71021 -56.925 -16.0452 -1.20894 4.71024 -1.20905 42.5572 GPRESSAVG: 1217600 -54.6742 -57.2755 5.54736 -55.1348 -15.0621 -1.77851 2.98499 -4.35853 41.8425 TIMING: 1217600 CPU: 3528.91, 0.00292731/step Wall: 3528.91, 0.00292731/step, 3.07562 hours remaining, 208.460938 MB of memory in use. ENERGY: 1217600 761.0363 2099.6255 1910.2597 117.6998 -206286.0559 17970.3560 0.0000 0.0000 34332.3158 -149094.7629 299.8327 -183427.0787 -148991.3627 300.0016 158.3645 191.5974 556439.5391 -9.3797 -9.2979 PRESSURE: 1217800 24.0303 104.554 73.5036 104.554 95.3445 5.54998 73.5033 5.54967 -115.462 GPRESSURE: 1217800 -5.58114 135.446 94.6506 109.497 145.748 2.61299 53.395 27.7747 -47.7203 PRESSAVG: 1217800 -50.913 9.70612 -16.7049 9.70607 103.114 -61.8996 -16.705 -61.8995 -18.4467 GPRESSAVG: 1217800 -50.8845 10.0051 -16.6128 6.80265 103.383 -59.6007 -16.0993 -62.2525 -18.4202 TIMING: 1217800 CPU: 3529.49, 0.00293745/step Wall: 3529.49, 0.00293745/step, 3.08611 hours remaining, 208.460938 MB of memory in use. ENERGY: 1217800 759.3520 2093.9468 1920.1117 116.0199 -206360.7511 18051.9744 0.0000 0.0000 34296.1362 -149123.2101 299.5167 -183419.3463 -149029.6878 299.8944 1.3041 30.8154 557551.0050 11.2515 11.3594 PRESSURE: 1218000 67.4888 -77.7301 -116.956 -77.7294 92.5246 68.3 -116.957 68.3013 19.152 GPRESSURE: 1218000 132.215 -96.3617 -74.4984 -19.0247 95.3521 116.794 -83.3101 -42.8167 52.8508 PRESSAVG: 1218000 -4.25475 14.1519 13.8095 14.1518 36.4336 -3.39302 13.8094 -3.39298 -64.0183 GPRESSAVG: 1218000 -4.21646 13.874 14.2996 16.8808 36.6392 -4.34166 14.0711 -3.89288 -63.7631 TIMING: 1218000 CPU: 3530.08, 0.00293401/step Wall: 3530.08, 0.00293401/step, 3.08234 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1218000 720.5660 2129.1006 1939.0740 112.9965 -206450.1072 17993.5610 0.0000 0.0000 34582.5327 -148972.2765 302.0179 -183554.8091 -148862.5964 299.8915 59.7218 93.4725 558026.5796 -10.6132 -10.4468 PRESSURE: 1218200 26.2832 -67.4622 34.1547 -67.4613 -176.134 -111.555 34.1548 -111.555 181.304 GPRESSURE: 1218200 74.1834 -5.25514 85.0323 -54.3407 -162.362 -97.6052 -22.2131 -108.557 221.327 PRESSAVG: 1218200 12.3568 35.4336 -44.3539 35.4337 8.9823 -31.5561 -44.3539 -31.5562 -3.60024 GPRESSAVG: 1218200 12.6791 35.8951 -44.6527 34.3015 8.60978 -31.0809 -46.5663 -29.9599 -3.51323 TIMING: 1218200 CPU: 3530.67, 0.00296139/step Wall: 3530.67, 0.00296139/step, 3.11094 hours remaining, 208.460938 MB of memory in use. ENERGY: 1218200 726.6523 2106.3555 1943.7475 120.3422 -205932.8507 17573.0333 0.0000 0.0000 34526.8210 -148935.8989 301.5313 -183462.7199 -148836.2351 300.9600 10.4843 44.3827 556525.0127 5.9130 5.9252 PRESSURE: 1218400 -268.099 77.6018 -3.54038 77.6028 -182.523 -5.80803 -3.53971 -5.8089 -316.498 GPRESSURE: 1218400 -264.476 43.8413 -57.8348 -4.19251 -132.476 -13.5615 4.87948 -8.36473 -286.472 PRESSAVG: 1218400 88.629 7.54738 -1.84767 7.54724 -59.9161 -10.1173 -1.84775 -10.1174 -19.2654 GPRESSAVG: 1218400 88.3741 6.56933 -0.837836 7.09598 -59.4818 -10.7953 -1.28252 -10.9148 -19.4391 TIMING: 1218400 CPU: 3531.26, 0.002949/step Wall: 3531.26, 0.002949/step, 3.09776 hours remaining, 208.460938 MB of memory in use. ENERGY: 1218400 776.1133 2124.5829 1954.0923 126.3840 -205952.7132 17557.6706 0.0000 0.0000 34418.9253 -148994.9449 300.5890 -183413.8701 -148906.4999 300.8676 -255.7068 -227.8077 557930.0411 3.1492 3.1510 PRESSURE: 1218600 150.635 256.821 -99.1634 256.821 -184.897 -73.5888 -99.1632 -73.5895 -218.082 GPRESSURE: 1218600 138.603 198.233 -79.1612 252.65 -135.377 27.696 -103.484 -28.1165 -143.194 PRESSAVG: 1218600 -6.56792 47.4846 -24.8655 47.4845 24.8431 31.6303 -24.8655 31.6303 -39.7974 GPRESSAVG: 1218600 -7.87465 46.903 -26.3699 47.7336 24.9424 32.9083 -22.8059 32.3427 -39.2509 TIMING: 1218600 CPU: 3531.85, 0.00294308/step Wall: 3531.85, 0.00294308/step, 3.09138 hours remaining, 208.460938 MB of memory in use. ENERGY: 1218600 744.0541 2127.4350 1920.5057 128.4155 -206184.3689 17755.0199 0.0000 0.0000 34597.3734 -148911.5654 302.1475 -183508.9388 -148812.6404 300.1334 -84.1148 -46.6560 557625.4284 -7.1741 -7.3944 PRESSURE: 1218800 28.0056 136.746 -108.765 136.747 13.3049 -176.458 -108.766 -176.458 27.8826 GPRESSURE: 1218800 53.4013 180.597 -28.2166 110.339 75.9348 -231.035 -164.331 -186.481 42.3655 PRESSAVG: 1218800 -31.1186 11.0589 1.58262 11.059 39.5231 1.66929 1.58261 1.66937 -56.8873 GPRESSAVG: 1218800 -30.2843 13.5637 2.09965 11.3215 38.3992 0.572154 0.439408 2.52474 -56.3333 TIMING: 1218800 CPU: 3532.44, 0.0029239/step Wall: 3532.44, 0.0029239/step, 3.07107 hours remaining, 208.460938 MB of memory in use. ENERGY: 1218800 765.4551 2029.2921 1949.5955 108.4829 -206095.3155 17753.7850 0.0000 0.0000 34311.8822 -149176.8227 299.6542 -183488.7049 -149084.6725 300.1707 23.0643 57.2339 557149.2338 -16.1609 -16.0728 PRESSURE: 1219000 236.103 -73.535 181.786 -73.5332 137.226 -155.78 181.788 -155.779 234.277 GPRESSURE: 1219000 179.778 -25.2964 154.212 -9.77103 251.909 -125.387 149.06 -206.028 274.207 PRESSAVG: 1219000 4.20339 24.4402 -23.5809 24.4402 55.1496 -8.85821 -23.581 -8.85813 -67.1274 GPRESSAVG: 1219000 4.04108 22.0589 -22.5523 26.1796 56.1247 -8.26828 -25.863 -8.50358 -68.0839 TIMING: 1219000 CPU: 3533.02, 0.00290901/step Wall: 3533.02, 0.00290901/step, 3.05527 hours remaining, 208.460938 MB of memory in use. ENERGY: 1219000 740.6117 2148.8363 1928.4460 115.2244 -206167.2780 17890.4442 0.0000 0.0000 34228.6265 -149115.0889 298.9271 -183343.7155 -149022.7379 299.6979 202.5353 235.2981 556739.4788 -2.5915 -2.6394 PRESSURE: 1219200 -191.463 80.8471 24.2919 80.8479 -220.336 -95.7522 24.2918 -95.7513 -327.395 GPRESSURE: 1219200 -123.893 132.774 67.2626 159.273 -149.579 -46.2809 7.55925 -68.9455 -371.797 PRESSAVG: 1219200 -67.3416 21.7295 -20.1913 21.7295 1.75085 39.5372 -20.1913 39.5372 -13.6724 GPRESSAVG: 1219200 -66.3211 24.0051 -21.0717 20.559 2.52836 39.3665 -18.0556 39.3204 -15.5078 TIMING: 1219200 CPU: 3533.61, 0.00294938/step Wall: 3533.61, 0.00294938/step, 3.0975 hours remaining, 208.460938 MB of memory in use. ENERGY: 1219200 755.6110 2170.0599 1936.3170 128.1196 -205842.3840 17547.8851 0.0000 0.0000 34101.7889 -149202.6024 297.8194 -183304.3913 -149101.3869 299.5680 -246.3983 -215.0897 556419.6126 -26.4211 -26.4335 PRESSURE: 1219400 -298.819 79.0092 121.094 79.009 373.329 33.3188 121.096 33.3193 1.81279 GPRESSURE: 1219400 -276.354 139.551 135.145 66.2196 434.93 -28.2503 86.33 28.6594 10.6479 PRESSAVG: 1219400 -3.21175 -29.0246 56.305 -29.0246 32.6964 40.2102 56.3049 40.2102 13.8338 GPRESSAVG: 1219400 -3.30559 -30.3469 57.7693 -29.4959 32.7545 40.1099 54.5628 39.21 13.7388 TIMING: 1219400 CPU: 3534.19, 0.00293525/step Wall: 3534.19, 0.00293525/step, 3.0825 hours remaining, 208.460938 MB of memory in use. ENERGY: 1219400 722.2305 2172.5684 1923.4906 116.9180 -205797.9439 17590.7120 0.0000 0.0000 34231.1645 -149040.8600 298.9493 -183272.0246 -148950.8305 298.8848 25.4408 56.4077 557476.1614 14.4395 14.3959 PRESSURE: 1219600 -275.906 -28.8895 1.55854 -28.8902 66.7537 10.9813 1.55993 10.9811 -374.306 GPRESSURE: 1219600 -225.721 1.76822 73.2688 14.449 65.954 26.043 -37.8327 -39.2374 -326.141 PRESSAVG: 1219600 20.2448 10.1887 -6.47582 10.1888 45.9244 12.2226 -6.4758 12.2226 -54.928 GPRESSAVG: 1219600 20.3602 9.82314 -6.09048 10.8166 45.4487 11.5984 -4.36352 10.957 -54.2086 TIMING: 1219600 CPU: 3534.78, 0.00290767/step Wall: 3534.78, 0.00290767/step, 3.05338 hours remaining, 208.460938 MB of memory in use. ENERGY: 1219600 725.3050 2098.2250 1926.3755 101.9333 -205728.8460 17442.6172 0.0000 0.0000 34372.1453 -149062.2446 300.1805 -183434.3899 -148960.0834 300.0664 -194.4860 -161.9693 557816.0263 3.7470 3.8668 PRESSURE: 1219800 -38.2507 -35.9931 -24.3036 -35.9944 -161.705 113.091 -24.3051 113.091 -0.163758 GPRESSURE: 1219800 -7.03681 -51.9807 -20.6752 -47.9982 -165.792 172.065 4.43349 120.073 58.7224 PRESSAVG: 1219800 -16.3875 0.326742 -10.6725 0.326688 38.7373 -9.78822 -10.6724 -9.78823 14.8207 GPRESSAVG: 1219800 -16.6768 0.540737 -11.6292 -1.26729 38.7073 -8.20784 -11.1794 -8.53211 15.5479 TIMING: 1219800 CPU: 3535.36, 0.00291927/step Wall: 3535.36, 0.00291927/step, 3.0654 hours remaining, 208.460938 MB of memory in use. ENERGY: 1219800 728.5656 2051.4477 1925.2801 116.3917 -206098.2773 17649.5753 0.0000 0.0000 34530.3705 -149096.6464 301.5623 -183627.0168 -148997.5486 299.3161 -66.7064 -38.0355 557597.9290 12.3902 12.5261 PRESSURE: 1220000 103.057 -13.2204 -158.113 -13.2223 -69.4272 90.2029 -158.114 90.2051 120.794 GPRESSURE: 1220000 194.438 -45.7204 -200.605 27.9472 -118.463 103.143 -140.598 114.301 177.659 PRESSAVG: 1220000 -16.1805 -1.82047 -3.88658 -1.82048 -41.0744 -1.85003 -3.88653 -1.85006 38.2948 GPRESSAVG: 1220000 -16.8701 -2.58346 -5.48739 0.8294 -40.4657 -1.63341 -2.98186 -3.35998 38.816 TIMING: 1220000 CPU: 3535.94, 0.00290433/step Wall: 3535.94, 0.00290433/step, 3.04955 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1220000 756.3587 2110.3620 1896.7236 109.2237 -206135.6821 17913.3504 0.0000 0.0000 34269.1423 -149080.5212 299.2809 -183349.6635 -148985.9886 298.9018 51.4747 84.5450 557346.7272 -6.3201 -6.1733 PRESSURE: 1220200 -217.739 -88.6098 0.028609 -88.6112 -63.7957 -24.2219 0.0277802 -24.2223 -248.222 GPRESSURE: 1220200 -238.862 -85.3421 -22.175 -109.353 18.4149 -28.9428 -16.297 3.1316 -212.176 PRESSAVG: 1220200 -19.7024 0.0398366 -38.4833 0.0397774 16.1642 -14.9167 -38.4833 -14.9167 4.65443 GPRESSAVG: 1220200 -19.094 -0.484246 -35.942 0.75772 16.1244 -14.8004 -41.5485 -13.5867 4.21327 TIMING: 1220200 CPU: 3536.52, 0.00290464/step Wall: 3536.52, 0.00290464/step, 3.04971 hours remaining, 208.460938 MB of memory in use. ENERGY: 1220200 755.0905 2145.2718 1925.9166 140.6368 -205793.1755 17654.1036 0.0000 0.0000 34219.7056 -148952.4505 298.8492 -183172.1562 -148860.3654 299.9434 -176.5853 -144.2075 558151.5089 0.3721 0.4145 LDB: ============= START OF LOAD BALANCING ============== 3539.91 LDB: ============== END OF LOAD BALANCING =============== 3539.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3539.91 LDB: ============= START OF LOAD BALANCING ============== 3540.2 LDB: Largest compute 4822 load 0.026259 is 22.3% of average load 0.117908 LDB: Average compute 0.001711 is 1.5% of average load 0.117908 LDB: TIME 3540.21 LOAD: AVG 0.117908 MAX 0.18063 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.59 MB LDB: TIME 3540.21 LOAD: AVG 0.117908 MAX 0.18063 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.652 MB LDB: TIME 3540.21 LOAD: AVG 0.117908 MAX 0.18063 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.652 MB LDB: ============== END OF LOAD BALANCING =============== 3540.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3540.21 PRESSURE: 1220400 -21.5886 -118.264 -47.4225 -118.265 -172.626 -52.4919 -47.4229 -52.4923 -53.1268 GPRESSURE: 1220400 74.9755 -130.058 18.7221 -51.8427 -176.719 -47.7285 -165.816 -21.4489 -61.2757 PRESSAVG: 1220400 54.0148 -32.2684 -28.6386 -32.2684 -60.9928 43.7539 -28.6386 43.7539 -23.1188 GPRESSAVG: 1220400 53.9284 -31.381 -30.1689 -34.4259 -60.8605 41.8758 -27.9388 42.4153 -22.989 TIMING: 1220400 CPU: 3537.12, 0.00298207/step Wall: 3537.12, 0.00298207/step, 3.13084 hours remaining, 210.257812 MB of memory in use. ENERGY: 1220400 753.2895 2114.2524 1929.5723 120.7471 -205929.4873 17678.9447 0.0000 0.0000 34416.8182 -148915.8631 300.5706 -183332.6813 -148815.4276 299.5275 -82.4470 -54.3399 558045.2786 -10.0322 -9.9737 PRESSURE: 1220600 -50.3847 39.3719 122.178 39.3704 -157.133 76.0397 122.178 76.0404 -15.534 GPRESSURE: 1220600 -61.6105 -49.6085 151.8 -52.547 -133.422 117.073 163.292 -9.76489 78.7783 PRESSAVG: 1220600 -4.7128 6.11044 26.7107 6.11045 -3.36128 25.2581 26.7107 25.2581 -10.4162 GPRESSAVG: 1220600 -5.47525 5.1621 25.9905 6.28334 -3.05742 26.5839 27.7648 26.5845 -9.31848 TIMING: 1220600 CPU: 3537.7, 0.00293476/step Wall: 3537.7, 0.00293475/step, 3.081 hours remaining, 210.257812 MB of memory in use. ENERGY: 1220600 756.6257 2108.4115 1975.4892 130.8173 -206105.5174 17840.8174 0.0000 0.0000 34363.4041 -148929.9522 300.1042 -183293.3563 -148832.6103 300.6126 -74.3505 -38.7515 558102.6460 -6.1634 -5.9504 PRESSURE: 1220800 78.5966 -64.947 -124.768 -64.9463 121.263 119.097 -124.768 119.098 72.6746 GPRESSURE: 1220800 135.408 -20.2909 -69.2771 -107.763 106.269 131.041 -153.538 111.739 126.557 PRESSAVG: 1220800 2.89857 2.91119 11.1462 2.91117 -13.4531 71.0669 11.1462 71.0669 -9.80632 GPRESSAVG: 1220800 3.14846 4.6753 11.0237 1.36912 -12.7549 69.2272 11.7169 69.7555 -11.1313 TIMING: 1220800 CPU: 3538.3, 0.00295328/step Wall: 3538.3, 0.00295328/step, 3.10029 hours remaining, 210.257812 MB of memory in use. ENERGY: 1220800 759.5631 2157.4098 1940.0204 110.7175 -206204.3320 17804.4771 0.0000 0.0000 34315.9359 -149116.2081 299.6896 -183432.1440 -149010.9925 300.2077 90.8449 122.7444 556157.9847 -6.7869 -6.9126 PRESSURE: 1221000 -228.411 -0.589125 177.34 -0.589548 -80.098 -124.647 177.34 -124.648 -189.545 GPRESSURE: 1221000 -209.481 -6.7692 148.832 -15.9276 -110.185 -93.7558 230.262 -70.6629 -74.241 PRESSAVG: 1221000 55.6826 -35.951 -19.3411 -35.951 -27.1231 -3.05504 -19.3412 -3.05507 -66.7406 GPRESSAVG: 1221000 55.1562 -36.6942 -19.8387 -34.1712 -27.0463 -1.8399 -19.0779 -1.69847 -66.9085 TIMING: 1221000 CPU: 3538.88, 0.00291404/step Wall: 3538.88, 0.00291404/step, 3.05893 hours remaining, 210.257812 MB of memory in use. ENERGY: 1221000 761.3848 2047.0199 1938.4807 107.6249 -205834.3163 17459.3640 0.0000 0.0000 34337.2439 -149183.1981 299.8757 -183520.4420 -149083.4575 299.3457 -166.0182 -131.3023 556349.6561 -12.7270 -12.9328 PRESSURE: 1221200 -355.947 105.555 26.5803 105.556 -5.01636 -90.5274 26.58 -90.5279 120.767 GPRESSURE: 1221200 -329.456 163.459 21.0121 98.6237 21.7983 -141.376 27.6885 45.344 160.855 PRESSAVG: 1221200 -10.4571 -65.0366 -13.5173 -65.0366 37.198 14.3407 -13.5174 14.3406 28.6563 GPRESSAVG: 1221200 -10.0289 -65.3476 -14.5039 -63.2064 36.3599 14.075 -14.7172 12.404 28.5238 TIMING: 1221200 CPU: 3539.46, 0.00290012/step Wall: 3539.46, 0.00290012/step, 3.04416 hours remaining, 210.257812 MB of memory in use. ENERGY: 1221200 759.1274 2046.7423 1956.1627 112.3596 -205872.8854 17526.8640 0.0000 0.0000 34216.9275 -149254.7017 298.8249 -183471.6293 -149157.2117 299.3059 -80.0654 -48.9342 556409.6611 18.4657 18.2849 PRESSURE: 1221400 -237.316 -30.37 -202.65 -30.3703 -101.611 -14.5405 -202.65 -14.5411 106.054 GPRESSURE: 1221400 -179.004 -15.0366 -188.796 -43.0692 -30.4787 -57.1613 -169.465 -108.018 76.4794 PRESSAVG: 1221400 -9.49113 4.14252 -8.91758 4.14241 -9.7678 43.2187 -8.9176 43.2187 1.42697 GPRESSAVG: 1221400 -10.1557 3.81757 -6.9267 3.29321 -9.29627 43.2088 -8.1861 43.9191 1.20298 TIMING: 1221400 CPU: 3540.05, 0.00293822/step Wall: 3540.05, 0.00293822/step, 3.08399 hours remaining, 210.257812 MB of memory in use. ENERGY: 1221400 737.1651 2105.9824 1963.1114 106.2157 -206233.7474 17722.0070 0.0000 0.0000 34335.9589 -149263.3069 299.8645 -183599.2657 -149168.4741 299.0956 -77.6244 -44.3346 556460.1620 -5.9440 -6.0830 PRESSURE: 1221600 39.8119 3.64878 -1.7049 3.6497 -114.794 -25.1259 -1.70378 -25.1268 -124.896 GPRESSURE: 1221600 41.7109 7.74644 -82.5973 25.9376 -72.9637 -16.3624 43.7218 14.2747 -68.5099 PRESSAVG: 1221600 31.4092 0.580129 -39.9222 0.580029 2.35657 43.3911 -39.9222 43.3911 2.39303 GPRESSAVG: 1221600 31.8974 1.57989 -42.4023 1.03406 1.73996 43.0299 -37.3344 43.7223 2.77354 TIMING: 1221600 CPU: 3540.63, 0.00292016/step Wall: 3540.63, 0.00292016/step, 3.06487 hours remaining, 210.257812 MB of memory in use. ENERGY: 1221600 745.2890 2080.8601 1933.9605 116.3451 -206349.6027 17889.6029 0.0000 0.0000 34262.2257 -149321.3193 299.2205 -183583.5450 -149233.1088 299.2538 -66.6260 -33.2542 557569.5227 12.0529 12.1370 PRESSURE: 1221800 -206.094 34.1917 -32.9822 34.1908 67.2162 -76.2221 -32.9834 -76.2226 63.0671 GPRESSURE: 1221800 -160.598 -46.5624 -3.14152 58.576 60.1814 -6.31934 -119.293 -84.0572 126.269 PRESSAVG: 1221800 3.20073 54.3532 -44.4054 54.3532 -31.1241 -21.8783 -44.4054 -21.8782 -14.1975 GPRESSAVG: 1221800 2.87722 55.6016 -42.2579 53.3152 -30.0065 -20.286 -45.594 -23.8721 -14.4106 TIMING: 1221800 CPU: 3541.21, 0.00288922/step Wall: 3541.21, 0.00288922/step, 3.03223 hours remaining, 210.257812 MB of memory in use. ENERGY: 1221800 729.7278 2124.3893 1941.0492 122.3697 -206247.6852 17722.9962 0.0000 0.0000 34323.3195 -149283.8336 299.7541 -183607.1531 -149185.9715 298.9585 -25.2703 8.6177 556661.9311 -14.0403 -13.8466 PRESSURE: 1222000 -128.04 -33.6128 60.3876 -33.6145 240.886 -112.049 60.3873 -112.049 123.159 GPRESSURE: 1222000 -85.7621 -37.2778 117.518 -43.9404 241.464 -114.321 -10.7186 -82.3423 183.25 PRESSAVG: 1222000 20.4725 -0.864822 -14.2905 -0.864821 -16.5263 23.5779 -14.2906 23.5778 45.4947 GPRESSAVG: 1222000 20.9244 -2.89806 -13.2355 -0.696611 -17.2032 23.0183 -16.1263 24.0247 45.2956 TIMING: 1222000 CPU: 3541.79, 0.0028936/step Wall: 3541.79, 0.0028936/step, 3.03668 hours remaining, 210.257812 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: 1222000 753.6520 2086.4009 1955.9993 115.2529 -206441.6440 18036.2032 0.0000 0.0000 34243.5404 -149250.5952 299.0574 -183494.1356 -149163.1392 299.3773 78.6685 112.9841 557780.8137 16.4803 16.3389 PRESSURE: 1222200 145.634 178.89 75.009 178.89 180.975 -131.551 75.0094 -131.551 59.1093 GPRESSURE: 1222200 176.238 90.3319 21.2231 250.921 212.702 -133.857 86.1647 -93.0205 103.902 PRESSAVG: 1222200 -58.1444 59.3348 26.718 59.3349 33.3387 -12.0336 26.718 -12.0335 -5.82793 GPRESSAVG: 1222200 -57.4739 59.899 26.3438 60.2476 32.7036 -13.11 26.9278 -9.86779 -5.7094 TIMING: 1222200 CPU: 3542.37, 0.00292257/step Wall: 3542.37, 0.00292257/step, 3.06691 hours remaining, 210.257812 MB of memory in use. ENERGY: 1222200 727.3834 2087.3048 1928.1343 117.6669 -206136.7838 17821.4052 0.0000 0.0000 34472.1394 -148982.7500 301.0538 -183454.8894 -148881.7310 299.5239 128.5726 164.2808 558465.1464 -10.2112 -10.1599 PRESSURE: 1222400 24.0545 77.7728 -106.115 77.7721 -139.867 93.9269 -106.115 93.928 35.1634 GPRESSURE: 1222400 12.4167 11.2884 -37.693 123.287 -104.332 32.8392 -63.4709 141.665 105.004 PRESSAVG: 1222400 1.03533 59.2702 1.63701 59.2702 37.1554 23.823 1.63707 23.8231 -2.65781 GPRESSAVG: 1222400 0.605739 60.7414 -0.0500778 57.3105 38.1238 26.2047 2.64258 22.6945 -3.32653 TIMING: 1222400 CPU: 3542.95, 0.00290937/step Wall: 3542.95, 0.00290937/step, 3.0529 hours remaining, 210.257812 MB of memory in use. ENERGY: 1222400 769.2104 2096.3847 1948.5133 118.8447 -206118.2711 17785.3549 0.0000 0.0000 34472.4476 -148927.5156 301.0565 -183399.9631 -148837.7461 299.5637 -26.8831 4.3632 557706.3523 11.8443 11.8010 PRESSURE: 1222600 -404.222 -85.0334 29.8321 -85.0327 -73.7876 89.5593 29.8323 89.5602 41.1235 GPRESSURE: 1222600 -357.688 -110.752 43.504 -28.2885 -28.871 88.4082 39.7506 143.013 43.0423 PRESSAVG: 1222600 -40.2422 -6.64261 13.7434 -6.64255 6.02411 -4.79653 13.7434 -4.79656 79.0138 GPRESSAVG: 1222600 -41.3448 -7.17137 15.3652 -6.20478 5.78648 -6.10884 14.1778 -5.91514 80.3006 TIMING: 1222600 CPU: 3543.53, 0.00290759/step Wall: 3543.53, 0.00290759/step, 3.05087 hours remaining, 210.257812 MB of memory in use. ENERGY: 1222600 727.3217 2155.6493 1930.2246 111.3655 -205676.4728 17525.2189 0.0000 0.0000 34190.5111 -149036.1817 298.5942 -183226.6928 -148945.4151 300.0733 -145.6289 -114.5054 559833.6341 14.9319 14.9141 PRESSURE: 1222800 34.1915 -177.9 -29.2323 -177.9 -63.9752 34.7606 -29.231 34.761 -145.408 GPRESSURE: 1222800 83.7892 -182.03 -18.6003 -160.049 -38.4843 55.8456 -76.1188 19.4129 -115.122 PRESSAVG: 1222800 11.1668 8.60295 7.34132 8.60295 -24.6903 26.2004 7.3414 26.2003 48.093 GPRESSAVG: 1222800 10.7296 7.64649 7.80228 10.0749 -24.9733 26.9723 6.79836 27.1858 49.1026 TIMING: 1222800 CPU: 3544.12, 0.00290958/step Wall: 3544.12, 0.00290958/step, 3.0528 hours remaining, 210.257812 MB of memory in use. ENERGY: 1222800 731.0575 2115.4850 1956.9529 103.7086 -205946.4918 17695.8991 0.0000 0.0000 34284.9869 -149058.4019 299.4193 -183343.3888 -148952.8088 300.3185 -58.3971 -23.2723 558869.8609 11.5231 11.6196 PRESSURE: 1223000 44.5245 -94.8578 28.8576 -94.8574 -176.987 19.9677 28.857 19.9657 -203.166 GPRESSURE: 1223000 77.4287 -138.47 -21.6756 -43.4741 -144.514 113.985 133.492 -53.4736 -187.016 PRESSAVG: 1223000 5.00489 -13.3466 8.47073 -13.3465 -7.63806 47.4352 8.47072 47.4353 50.2443 GPRESSAVG: 1223000 6.07124 -14.246 7.1002 -14.0329 -6.61892 46.5195 8.37881 47.3246 48.2965 TIMING: 1223000 CPU: 3544.7, 0.0029122/step Wall: 3544.7, 0.0029122/step, 3.05538 hours remaining, 210.257812 MB of memory in use. ENERGY: 1223000 719.5795 2108.2034 1945.2185 128.7868 -205740.5260 17550.3953 0.0000 0.0000 34091.1562 -149197.1863 297.7265 -183288.3425 -149098.5794 299.2866 -111.8764 -84.7005 558435.1580 15.8704 15.9163 PRESSURE: 1223200 105.431 192.275 -10.1005 192.275 -94.7517 194.805 -10.1008 194.803 159.592 GPRESSURE: 1223200 128.179 141.101 -15.711 195.465 -3.12563 304.301 27.0913 142.439 146.461 PRESSAVG: 1223200 -38.4769 35.7597 1.67449 35.7596 30.3478 36.5646 1.67453 36.5647 -25.2535 GPRESSAVG: 1223200 -38.9366 37.6224 3.41849 37.217 29.5917 34.9384 0.0965649 37.0421 -24.0419 TIMING: 1223200 CPU: 3545.28, 0.00292592/step Wall: 3545.28, 0.00292592/step, 3.06962 hours remaining, 210.257812 MB of memory in use. ENERGY: 1223200 779.0444 2158.2882 1951.2993 108.3146 -206382.2968 18101.2764 0.0000 0.0000 33958.4381 -149325.6358 296.5675 -183284.0739 -149235.9124 298.9354 56.7572 90.5049 558955.2125 -11.1275 -11.1289 PRESSURE: 1223400 -26.6141 31.4525 82.2105 31.4525 -79.4104 -78.4607 82.2103 -78.459 -70.8647 GPRESSURE: 1223400 -30.4568 -7.0886 72.2815 -13.1956 -38.1478 -101.127 -36.0767 -39.7057 -15.2975 PRESSAVG: 1223400 3.54289 27.5487 17.601 27.5488 -17.7257 40.1951 17.601 40.1952 -7.78191 GPRESSAVG: 1223400 3.49923 27.2072 19.637 26.1945 -17.1056 40.9191 16.3675 39.0866 -9.03893 TIMING: 1223400 CPU: 3545.87, 0.00291867/step Wall: 3545.87, 0.00291867/step, 3.06185 hours remaining, 210.257812 MB of memory in use. ENERGY: 1223400 719.7211 2125.4628 1924.2746 110.9853 -206316.6601 17807.7572 0.0000 0.0000 34214.3705 -149414.0885 298.8026 -183628.4590 -149318.0090 298.6871 -58.9631 -27.9674 558034.3210 -7.3216 -7.5484 PRESSURE: 1223600 -45.879 -120.193 19.8466 -120.192 -400.988 47.7934 19.8465 47.7907 -382.946 GPRESSURE: 1223600 -80.0012 -98.7071 -36.6801 -164.651 -336.631 -41.6289 44.2398 55.1505 -312.024 PRESSAVG: 1223600 18.5635 18.2193 -43.2892 18.2192 -1.45122 -28.1764 -43.2891 -28.1764 -28.0708 GPRESSAVG: 1223600 19.0458 18.2973 -47.8515 17.0044 -2.20527 -29.0517 -39.511 -27.9084 -27.5067 TIMING: 1223600 CPU: 3546.45, 0.00292295/step Wall: 3546.45, 0.00292295/step, 3.06618 hours remaining, 210.257812 MB of memory in use. ENERGY: 1223600 759.4523 2082.4842 1955.6455 117.6248 -206293.3208 17608.4516 0.0000 0.0000 34310.1137 -149459.5487 299.6388 -183769.6624 -149361.0704 298.7302 -276.6044 -242.8854 558696.3117 -3.6528 -3.5554 PRESSURE: 1223800 1.25856 49.954 -45.0123 49.9545 -258.363 -92.8601 -45.0117 -92.8599 -204.31 GPRESSURE: 1223800 1.66392 89.4892 -60.966 35.032 -248.084 -162.523 -9.82221 -62.1835 -118.144 PRESSAVG: 1223800 -5.45165 8.79012 -41.655 8.79021 53.5965 22.661 -41.6551 22.661 -11.045 GPRESSAVG: 1223800 -6.06873 10.6658 -39.6112 9.9169 53.8048 22.954 -42.2033 21.9781 -10.2966 TIMING: 1223800 CPU: 3547.04, 0.00292001/step Wall: 3547.04, 0.00292001/step, 3.06293 hours remaining, 210.257812 MB of memory in use. ENERGY: 1223800 762.9045 2087.9135 1959.7491 107.5388 -206594.1735 17984.1779 0.0000 0.0000 34080.2088 -149611.6809 297.6309 -183691.8897 -149513.2470 298.1410 -153.8048 -121.5211 557804.1172 12.3666 12.4798 PRESSURE: 1224000 -15.0692 -82.2069 -26.4722 -82.2079 -212.913 0.300386 -26.4725 0.300098 -186.892 GPRESSURE: 1224000 -41.7358 -32.8955 -30.2927 2.98581 -132.256 15.3497 -42.8051 39.0491 -144.836 PRESSAVG: 1224000 0.667237 -48.5775 -12.2607 -48.5775 -2.23776 35.7271 -12.2607 35.7271 -3.08399 GPRESSAVG: 1224000 1.73905 -48.4603 -13.4258 -49.2554 -2.23266 35.6011 -13.0702 36.9989 -4.22993 TIMING: 1224000 CPU: 3547.62, 0.0029039/step Wall: 3547.62, 0.0029039/step, 3.04587 hours remaining, 210.257812 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: 1224000 702.2920 2109.6538 1932.9809 117.9248 -206194.0079 17469.5282 0.0000 0.0000 34372.5725 -149489.0559 300.1842 -183861.6284 -149390.0159 298.2844 -138.2914 -106.2760 556967.0924 -1.5515 -1.5745 PRESSURE: 1224200 -47.3309 39.9205 24.3081 39.9213 267.478 -59.9017 24.3073 -59.8996 10.1824 GPRESSURE: 1224200 13.1581 45.4088 32.026 30.2553 318.117 -29.1203 59.1314 -27.1727 -9.68674 PRESSAVG: 1224200 -24.6398 -11.6397 -24.6291 -11.6397 9.01885 36.0692 -24.6291 36.069 -8.60932 GPRESSAVG: 1224200 -25.3981 -13.3132 -24.4473 -10.5338 9.33111 37.8333 -24.1648 34.8695 -7.94573 TIMING: 1224200 CPU: 3548.2, 0.00290375/step Wall: 3548.2, 0.00290375/step, 3.04555 hours remaining, 210.257812 MB of memory in use. ENERGY: 1224200 718.1581 2109.2699 1940.9412 125.4282 -206460.1480 17854.6332 0.0000 0.0000 34158.3261 -149553.3913 298.3132 -183711.7174 -149455.5926 298.6882 76.7764 107.1961 555938.5167 -8.0768 -8.0042 LDB: ============= START OF LOAD BALANCING ============== 3551.59 LDB: ============== END OF LOAD BALANCING =============== 3551.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3551.59 LDB: ============= START OF LOAD BALANCING ============== 3551.88 LDB: Largest compute 4822 load 0.024206 is 20.5% of average load 0.117959 LDB: Average compute 0.001705 is 1.4% of average load 0.117959 LDB: TIME 3551.88 LOAD: AVG 0.117959 MAX 0.183379 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.934 MB LDB: TIME 3551.88 LOAD: AVG 0.117959 MAX 0.183379 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.137 MB LDB: TIME 3551.88 LOAD: AVG 0.117959 MAX 0.183379 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.137 MB LDB: ============== END OF LOAD BALANCING =============== 3551.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3551.89 PRESSURE: 1224400 4.29923 -48.5199 39.6639 -48.5197 -77.3213 -109.13 39.6626 -109.13 -129.929 GPRESSURE: 1224400 51.8943 -175.979 7.53655 45.9487 -104.277 -53.8149 55.2612 -69.4313 -65.9527 PRESSAVG: 1224400 -48.6336 -2.87018 -40.3203 -2.87017 34.5749 41.3035 -40.3205 41.3036 13.629 GPRESSAVG: 1224400 -47.7956 -1.93126 -38.4777 -5.25531 32.3538 39.1817 -42.7344 42.6924 14.6336 TIMING: 1224400 CPU: 3548.79, 0.00297216/step Wall: 3548.79, 0.00297216/step, 3.11713 hours remaining, 207.480469 MB of memory in use. ENERGY: 1224400 741.3583 2124.0277 1942.9333 112.1135 -206113.8087 17446.5024 0.0000 0.0000 34221.2208 -149525.6526 298.8624 -183746.8734 -149432.1692 298.6491 -67.6505 -39.4451 556328.1227 -0.1433 -0.2694 PRESSURE: 1224600 241.342 -44.6809 164.578 -44.6824 -40.3426 3.82942 164.578 3.82849 -2.41869 GPRESSURE: 1224600 246.322 -0.7043 121.996 -22.9599 7.94972 -26.9025 172.934 17.6741 39.4444 PRESSAVG: 1224600 64.9342 17.2924 15.2548 17.2924 -24.0902 -53.8501 15.2547 -53.8502 -28.5527 GPRESSAVG: 1224600 64.4615 17.7109 12.2728 19.2986 -23.0253 -53.9357 17.7976 -55.1413 -28.5741 TIMING: 1224600 CPU: 3549.37, 0.00291195/step Wall: 3549.37, 0.00291195/step, 3.05383 hours remaining, 207.480469 MB of memory in use. ENERGY: 1224600 748.3874 2108.6314 1930.9443 107.2817 -206401.6173 17966.4193 0.0000 0.0000 34160.2096 -149379.7436 298.3296 -183539.9532 -149281.4255 298.6899 66.1934 97.9055 557471.4255 4.0971 4.2874 PRESSURE: 1224800 -71.5324 36.091 124.25 36.0917 -7.46254 133.1 124.25 133.102 251.252 GPRESSURE: 1224800 30.3208 -4.10726 48.8144 74.5425 11.0195 137.834 58.2903 91.7153 232.442 PRESSAVG: 1224800 18.6748 -8.60863 66.8924 -8.60855 -48.2287 35.7213 66.8923 35.7213 -4.7388 GPRESSAVG: 1224800 19.758 -9.01882 68.6202 -8.29315 -48.2408 38.9387 66.248 35.1306 -5.88664 TIMING: 1224800 CPU: 3549.96, 0.00290891/step Wall: 3549.96, 0.00290891/step, 3.05048 hours remaining, 207.480469 MB of memory in use. ENERGY: 1224800 744.2458 2081.6631 1947.1702 109.0290 -206419.6113 17906.0472 0.0000 0.0000 34227.4164 -149404.0397 298.9165 -183631.4561 -149303.3881 298.3197 57.4190 91.2608 558265.1390 -11.4309 -11.4565 PRESSURE: 1225000 -179.543 -44.4626 47.2475 -44.4631 27.0129 -75.3325 47.2474 -75.3327 11.9845 GPRESSURE: 1225000 -168.952 -77.0527 120.736 -29.3096 31.9774 -61.337 -6.37468 -141.19 83.4479 PRESSAVG: 1225000 0.259626 -7.96049 33.6429 -7.96047 -3.32433 5.09761 33.6429 5.09758 78.7729 GPRESSAVG: 1225000 -1.07172 -7.33891 32.8327 -9.2297 -2.39065 5.10053 32.9141 3.65469 78.8484 TIMING: 1225000 CPU: 3550.54, 0.00291234/step Wall: 3550.54, 0.00291234/step, 3.05391 hours remaining, 207.515625 MB of memory in use. ENERGY: 1225000 776.4905 2055.3702 1966.0356 115.9941 -206287.4088 17844.3933 0.0000 0.0000 34225.5864 -149303.5386 298.9006 -183529.1250 -149209.4014 298.8163 -46.8485 -17.8421 558134.6381 25.2361 25.1287 PRESSURE: 1225200 -206.475 -82.9877 9.77395 -82.9868 54.6626 111.196 9.77416 111.195 -88.9257 GPRESSURE: 1225200 -177.792 -158.018 60.7383 -69.6984 93.299 182.105 -11.1248 39.5056 -56.3264 PRESSAVG: 1225200 -5.84312 16.8726 67.5868 16.8727 29.2086 19.0699 67.5867 19.0699 -30.0703 GPRESSAVG: 1225200 -7.12383 16.3879 68.1793 18.6062 29.9909 17.7339 68.79 20.5676 -29.3511 TIMING: 1225200 CPU: 3551.12, 0.00290184/step Wall: 3551.12, 0.00290184/step, 3.04274 hours remaining, 207.515625 MB of memory in use. ENERGY: 1225200 809.2934 2124.9684 1926.8835 107.2402 -206259.3016 17791.8533 0.0000 0.0000 34156.0700 -149342.9927 298.2935 -183499.0627 -149255.6900 299.0787 -80.2462 -46.9396 557944.6085 -2.2349 -2.1614 PRESSURE: 1225400 8.91539 -37.0035 115.631 -37.0027 -10.8401 69.0022 115.632 69.0044 -182.409 GPRESSURE: 1225400 40.6973 -55.3471 123.035 -27.1539 3.15864 33.0003 170.599 14.8152 -146.054 PRESSAVG: 1225400 18.9127 5.65269 47.867 5.65263 -5.30927 15.9412 47.8669 15.9412 -37.1357 GPRESSAVG: 1225400 18.9173 3.79055 50.2735 6.37936 -5.2179 14.6803 46.9039 16.9818 -38.207 TIMING: 1225400 CPU: 3551.7, 0.00289079/step Wall: 3551.7, 0.00289079/step, 3.031 hours remaining, 207.515625 MB of memory in use. ENERGY: 1225400 744.6853 2081.7942 1930.4466 107.0386 -206185.5072 17801.0421 0.0000 0.0000 34203.6385 -149316.8618 298.7089 -183520.5004 -149217.3577 299.0295 -61.4447 -34.0661 557829.4659 -7.8441 -8.1692 PRESSURE: 1225600 -197.038 204.953 55.1582 204.953 -100.488 -165.189 55.1579 -165.19 -210.565 GPRESSURE: 1225600 -193.689 325.224 19.113 96.0076 -46.2252 -156.585 84.721 -176.413 -166.134 PRESSAVG: 1225600 -59.7765 0.533746 65.245 0.533784 40.4088 -3.0343 65.2449 -3.03435 2.67187 GPRESSAVG: 1225600 -58.6725 2.85615 62.5105 0.352001 39.0052 -1.89193 65.6977 -5.30168 3.11037 TIMING: 1225600 CPU: 3552.28, 0.0028919/step Wall: 3552.28, 0.0028919/step, 3.032 hours remaining, 207.515625 MB of memory in use. ENERGY: 1225600 697.4824 2046.5506 1952.0045 113.0126 -205961.3526 17373.6309 0.0000 0.0000 34469.8399 -149308.8316 301.0337 -183778.6715 -149202.9606 299.6230 -169.3637 -135.3492 557869.9749 -5.5653 -5.5190 PRESSURE: 1225800 70.007 17.5693 6.75025 17.5694 -3.29184 -33.1854 6.74918 -33.1856 14.688 GPRESSURE: 1225800 78.8938 62.7051 26.5683 5.9846 51.9137 -9.18048 51.2075 -97.0805 41.3119 PRESSAVG: 1225800 -56.0276 -20.1182 5.04641 -20.1183 75.8349 -29.4115 5.0464 -29.4116 -13.1401 GPRESSAVG: 1225800 -55.8139 -20.118 7.86965 -22.521 76.1352 -27.5463 4.77824 -30.9626 -13.6044 TIMING: 1225800 CPU: 3552.86, 0.00290909/step Wall: 3552.86, 0.00290909/step, 3.04985 hours remaining, 207.515625 MB of memory in use. ENERGY: 1225800 742.7816 2109.7423 1921.4409 107.0802 -206716.9035 18014.1207 0.0000 0.0000 34405.3237 -149416.4141 300.4702 -183821.7378 -149313.0993 299.3288 27.1344 57.3731 557506.3922 2.2224 2.2390 PRESSURE: 1226000 17.0668 48.8622 -100.695 48.8612 -189.477 15.9577 -100.695 15.9582 91.295 GPRESSURE: 1226000 23.3971 23.0763 -151.414 23.9214 -103.881 -64.9611 -135.625 131.111 99.986 PRESSAVG: 1226000 17.5851 25.5839 -35.6578 25.5839 -66.3804 37.1766 -35.6578 37.1766 6.14319 GPRESSAVG: 1226000 17.759 24.7973 -37.7458 26.9789 -66.6591 33.9068 -36.9434 41.4327 6.03994 TIMING: 1226000 CPU: 3553.44, 0.00289288/step Wall: 3553.44, 0.00289288/step, 3.03271 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1226000 741.4340 2083.7915 1945.2263 116.9332 -206250.6348 17922.9233 0.0000 0.0000 34033.3593 -149406.9672 297.2218 -183440.3265 -149310.1099 298.7177 -27.0383 6.5005 557626.2770 -14.2173 -14.2867 PRESSURE: 1226200 180.03 -28.8033 -82.6918 -28.8037 52.7197 -119.608 -82.692 -119.609 306.008 GPRESSURE: 1226200 204.602 2.10697 -114.591 45.2392 120.102 -95.1962 -72.5286 -172.438 311.334 PRESSAVG: 1226200 -53.7887 -3.97827 -45.6719 -3.97824 75.6632 18.7877 -45.6719 18.7876 18.439 GPRESSAVG: 1226200 -54.2165 -3.71783 -44.1522 -5.11304 75.5333 19.7485 -45.6169 17.4106 18.7897 TIMING: 1226200 CPU: 3554.02, 0.00289447/step Wall: 3554.02, 0.00289447/step, 3.03421 hours remaining, 207.515625 MB of memory in use. ENERGY: 1226200 720.8815 2132.5365 1936.9438 117.4201 -206573.8734 18056.7880 0.0000 0.0000 34238.8368 -149370.4667 299.0163 -183609.3035 -149280.0346 298.3204 179.5860 212.0124 556405.9667 13.4378 13.3688 PRESSURE: 1226400 -123.754 28.1191 -70.7429 28.1197 24.6789 153.29 -70.7412 153.289 -101.139 GPRESSURE: 1226400 -88.3757 9.69428 -23.3539 69.047 40.8594 116.454 12.1944 193.093 -50.1092 PRESSAVG: 1226400 -55.1484 53.4016 -24.0993 53.4017 43.9177 42.203 -24.0993 42.203 5.85386 GPRESSAVG: 1226400 -54.4286 52.0101 -26.1007 54.1192 44.3953 42.6611 -23.0305 42.2811 5.15972 TIMING: 1226400 CPU: 3554.59, 0.00289216/step Wall: 3554.59, 0.00289216/step, 3.03163 hours remaining, 207.515625 MB of memory in use. ENERGY: 1226400 759.7788 2110.8509 1969.6240 108.3330 -206161.0467 17729.9245 0.0000 0.0000 33960.0285 -149522.5070 296.5814 -183482.5355 -149422.3003 298.2119 -66.7381 -32.5418 556942.3520 -1.7923 -1.6246 PRESSURE: 1226600 -169.699 -22.3596 -35.3245 -22.359 -446.327 44.6311 -35.3256 44.6325 -494.402 GPRESSURE: 1226600 -196.903 -11.2098 -70.2065 -22.6046 -413.351 16.2875 -121.609 51.3223 -398.515 PRESSAVG: 1226600 -30.7571 -28.7872 -12.4944 -28.7872 6.42515 60.1141 -12.4945 60.1141 -11.3899 GPRESSAVG: 1226600 -30.8605 -28.204 -11.127 -28.2591 5.94203 60.0112 -12.9059 59.9357 -11.3515 TIMING: 1226600 CPU: 3555.17, 0.00290527/step Wall: 3555.17, 0.00290527/step, 3.04521 hours remaining, 207.515625 MB of memory in use. ENERGY: 1226600 784.5227 2074.3444 1938.1660 102.7055 -206093.7309 17598.7591 0.0000 0.0000 34123.1841 -149472.0490 298.0063 -183595.2331 -149367.5937 297.7583 -370.1425 -336.2568 560505.1332 -11.9073 -12.0900 PRESSURE: 1226800 -278.957 173.486 -75.1133 173.486 111.261 -19.1355 -75.1123 -19.1365 274.671 GPRESSURE: 1226800 -172.987 158.07 -37.1477 120.741 89.9025 51.3232 -169.416 -129.393 290.692 PRESSAVG: 1226800 -4.7564 -35.9683 -29.5354 -35.9683 -43.2744 -19.2368 -29.5355 -19.2368 69.415 GPRESSAVG: 1226800 -4.33148 -35.842 -29.3058 -36.9801 -43.8759 -18.5856 -29.2885 -18.6401 69.7475 TIMING: 1226800 CPU: 3555.76, 0.00290451/step Wall: 3555.76, 0.00290451/step, 3.04425 hours remaining, 207.515625 MB of memory in use. ENERGY: 1226800 783.0921 2015.7179 1994.7745 113.2022 -206572.8805 17904.2800 0.0000 0.0000 34139.9278 -149621.8860 298.1525 -183761.8138 -149521.8772 298.3749 35.6582 69.2025 557789.5566 7.1281 7.1801 PRESSURE: 1227000 -46.1509 -247.918 36.6365 -247.917 55.5121 103.09 36.6366 103.089 115.65 GPRESSURE: 1227000 -51.9446 -167.78 22.606 -134.432 83.288 120.419 52.4077 74.0418 185.016 PRESSAVG: 1227000 26.0927 43.51 25.5316 43.5099 -80.3356 -23.5651 25.5317 -23.5651 88.0612 GPRESSAVG: 1227000 25.1217 43.4304 21.9689 44.5671 -80.1789 -25.365 25.5773 -22.8207 88.4839 TIMING: 1227000 CPU: 3556.33, 0.00289291/step Wall: 3556.33, 0.00289291/step, 3.03193 hours remaining, 207.515625 MB of memory in use. ENERGY: 1227000 757.7746 2135.6596 1951.6870 117.0497 -206630.4031 18111.2654 0.0000 0.0000 34245.6277 -149311.3391 299.0756 -183556.9668 -149219.6762 298.8888 41.6705 72.1197 557747.3663 11.2727 11.1423 PRESSURE: 1227200 32.773 18.5862 158.557 18.5866 204.264 -61.082 158.556 -61.081 -240.348 GPRESSURE: 1227200 87.6132 -18.3837 223.089 -8.15288 225.759 32.7868 111.846 -72.2822 -219.839 PRESSAVG: 1227200 8.46932 26.8526 6.79776 26.8527 10.7212 -55.5802 6.79783 -55.5804 -49.6079 GPRESSAVG: 1227200 8.69512 26.9065 7.49006 26.0963 10.9394 -53.891 8.00712 -57.0689 -49.806 TIMING: 1227200 CPU: 3556.91, 0.00290295/step Wall: 3556.91, 0.00290295/step, 3.04229 hours remaining, 207.515625 MB of memory in use. ENERGY: 1227200 744.4985 2106.9472 1971.5728 108.5152 -206494.9623 17760.3379 0.0000 0.0000 34483.7451 -149319.3456 301.1551 -183803.0907 -149220.3030 299.0894 -1.1037 31.1778 555743.7416 -10.1391 -10.0572 PRESSURE: 1227400 50.624 -35.0417 165.576 -35.0425 96.2992 -6.22142 165.577 -6.21889 -275.031 GPRESSURE: 1227400 55.2204 -57.2412 179.44 -20.1847 133.784 -17.2155 119.468 -16.5166 -224.207 PRESSAVG: 1227400 1.36842 19.4501 -3.38945 19.4501 -20.0211 -44.5855 -3.38951 -44.5855 26.4772 GPRESSAVG: 1227400 0.678035 20.0304 -3.93563 20.094 -18.9912 -43.3006 -5.07841 -44.33 26.1282 TIMING: 1227400 CPU: 3557.5, 0.00290536/step Wall: 3557.5, 0.00290536/step, 3.04466 hours remaining, 207.515625 MB of memory in use. ENERGY: 1227400 733.0143 2043.7783 1962.5387 123.1011 -205899.6437 17427.4892 0.0000 0.0000 34420.4204 -149189.3016 300.6021 -183609.7220 -149093.0244 299.4486 -42.7027 -11.7345 557220.7713 2.6082 2.6050 PRESSURE: 1227600 30.7574 -55.4791 43.3828 -55.4793 -163.786 81.9281 43.3829 81.9263 -242.184 GPRESSURE: 1227600 40.6125 -59.3904 -13.2581 -98.8704 -140.706 61.7763 67.1043 52.9747 -184.036 PRESSAVG: 1227600 22.9811 -19.9416 -16.6537 -19.9416 19.995 48.4032 -16.6537 48.4031 44.2369 GPRESSAVG: 1227600 24.4677 -20.3462 -14.2295 -19.4789 18.8729 47.6515 -17.1217 47.6461 44.8302 TIMING: 1227600 CPU: 3558.08, 0.00294158/step Wall: 3558.08, 0.00294158/step, 3.08245 hours remaining, 207.515625 MB of memory in use. ENERGY: 1227600 765.9659 2106.8139 1938.5500 116.8534 -205938.9878 17693.2914 0.0000 0.0000 34216.1365 -149101.3768 298.8180 -183317.5133 -149003.8828 299.1521 -125.0707 -94.7100 557644.8220 29.0710 29.3903 PRESSURE: 1227800 -284.228 -14.0136 49.7908 -14.013 -207.904 138.712 49.7904 138.713 -342.7 GPRESSURE: 1227800 -208.983 37.8451 12.8504 -18.0398 -225.778 168.773 44.7577 154.764 -293.969 PRESSAVG: 1227800 35.9187 18.461 -12.3392 18.4609 -33.2925 55.1675 -12.3392 55.1676 -46.4036 GPRESSAVG: 1227800 35.6043 21.7632 -12.1557 15.0393 -32.1499 54.7762 -13.497 56.4493 -46.7691 TIMING: 1227800 CPU: 3558.67, 0.0029115/step Wall: 3558.67, 0.0029115/step, 3.05077 hours remaining, 207.515625 MB of memory in use. ENERGY: 1227800 772.8182 2089.2451 1948.2726 103.3186 -205828.0838 17531.6106 0.0000 0.0000 34528.4651 -148854.3536 301.5457 -183382.8187 -148751.1859 299.8322 -278.2772 -242.9103 559227.9066 -14.5925 -14.4382 PRESSURE: 1228000 78.5139 34.5305 27.5897 34.5301 -53.335 -34.9965 27.5885 -34.9959 -87.2706 GPRESSURE: 1228000 57.7519 72.7678 46.2711 16.6952 -1.17441 -126.683 17.2865 39.8629 -27.1616 PRESSAVG: 1228000 12.0374 23.1834 -11.747 23.1834 10.7031 47.4227 -11.747 47.4227 -44.0949 GPRESSAVG: 1228000 11.2413 20.8749 -13.1202 25.3679 10.9193 47.6369 -10.3131 47.1067 -43.1351 TIMING: 1228000 CPU: 3559.25, 0.00291565/step Wall: 3559.25, 0.00291565/step, 3.05495 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1228000 785.1666 2087.2008 1958.5222 118.2778 -205885.1304 17611.9212 0.0000 0.0000 34454.0025 -148870.0393 300.8954 -183324.0418 -148769.5560 299.6071 -20.6973 9.8053 558278.6915 -7.1182 -6.9915 PRESSURE: 1228200 -22.8377 -94.3149 114.418 -94.3171 71.7113 199.959 114.42 199.961 157.262 GPRESSURE: 1228200 25.8497 -118.28 97.7634 -59.2352 112.873 120.194 94.8704 221.715 171.072 PRESSAVG: 1228200 14.4136 37.9748 -4.3166 37.9749 -22.1127 19.9627 -4.31667 19.9627 15.6618 GPRESSAVG: 1228200 16.3841 35.7861 -2.10551 38.957 -23.2478 18.304 -5.79058 20.2892 14.9595 TIMING: 1228200 CPU: 3559.84, 0.00294192/step Wall: 3559.84, 0.00294192/step, 3.08231 hours remaining, 207.515625 MB of memory in use. ENERGY: 1228200 728.3822 2142.5427 1948.3553 110.3403 -205908.1630 17848.9475 0.0000 0.0000 34255.3190 -148874.2761 299.1602 -183129.5951 -148774.5868 299.8017 68.7119 103.2650 559338.3941 2.6542 2.6986 LDB: ============= START OF LOAD BALANCING ============== 3563.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3563.23 LDB: =============== DONE WITH MIGRATION ================ 3563.23 LDB: ============= START OF LOAD BALANCING ============== 3563.52 LDB: Largest compute 4822 load 0.026352 is 22.3% of average load 0.118043 LDB: Average compute 0.001705 is 1.4% of average load 0.118043 LDB: TIME 3563.53 LOAD: AVG 0.118043 MAX 0.184826 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.422 MB LDB: TIME 3563.53 LOAD: AVG 0.118043 MAX 0.184826 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: TIME 3563.53 LOAD: AVG 0.118043 MAX 0.184826 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: ============== END OF LOAD BALANCING =============== 3563.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3563.53 PRESSURE: 1228400 252.437 -46.077 105.023 -46.0758 22.9539 35.7512 105.022 35.7518 227.684 GPRESSURE: 1228400 277.002 -64.2617 39.3307 -59.4972 76.5847 96.899 192.952 -8.15683 251.503 PRESSAVG: 1228400 -57.8223 33.423 4.37191 33.4231 -41.6756 28.7463 4.37188 28.7465 46.7419 GPRESSAVG: 1228400 -58.6361 35.3789 2.01541 30.0671 -40.0214 30.5204 6.42265 28.0927 45.8636 TIMING: 1228400 CPU: 3560.44, 0.00299615/step Wall: 3560.44, 0.00299615/step, 3.13896 hours remaining, 208.320312 MB of memory in use. ENERGY: 1228400 720.0452 2123.9761 1959.6312 119.3738 -206062.3755 18031.9892 0.0000 0.0000 34302.4312 -148804.9287 299.5717 -183107.3600 -148709.1062 299.8754 167.6915 201.6966 558334.7110 -17.5853 -17.5979 PRESSURE: 1228600 -141.074 -203.005 -80.5964 -203.004 -59.7803 69.0278 -80.5951 69.0287 -100.541 GPRESSURE: 1228600 -120.556 -267.82 -74.8541 -76.5966 11.5803 24.9012 -113.514 92.4273 -95.1032 PRESSAVG: 1228600 0.807013 -42.1018 -4.37388 -42.1018 34.2359 -23.1181 -4.37386 -23.118 44.1637 GPRESSAVG: 1228600 -0.070934 -39.8707 -4.00663 -39.757 34.0653 -22.6189 -4.24906 -24.5275 45.0377 TIMING: 1228600 CPU: 3561.02, 0.00293381/step Wall: 3561.02, 0.00293381/step, 3.07349 hours remaining, 208.632812 MB of memory in use. ENERGY: 1228600 692.9069 2083.2103 1974.9531 126.1968 -205568.0413 17425.1537 0.0000 0.0000 34317.0629 -148948.5576 299.6994 -183265.6205 -148850.8759 300.4478 -100.4651 -68.0264 558492.8098 26.4022 26.3440 PRESSURE: 1228800 -87.3872 107.707 32.0377 107.706 -179.533 10.7389 32.0381 10.7387 -256.462 GPRESSURE: 1228800 -89.6876 139.003 9.43371 122.591 -115.434 -53.4586 56.2935 74.98 -213.802 PRESSAVG: 1228800 -20.4077 -8.63222 -65.8609 -8.63216 -52.3501 -10.4659 -65.8609 -10.466 21.8056 GPRESSAVG: 1228800 -19.8989 -10.3775 -65.0573 -6.56602 -53.4875 -11.9743 -66.8153 -9.67877 21.5336 TIMING: 1228800 CPU: 3561.61, 0.00292834/step Wall: 3561.61, 0.00292834/step, 3.0676 hours remaining, 208.632812 MB of memory in use. ENERGY: 1228800 768.9170 2130.8740 1915.3153 117.5053 -205800.8849 17556.7654 0.0000 0.0000 34340.0980 -148971.4097 299.9006 -183311.5077 -148876.1094 300.0601 -174.4608 -139.6412 558787.9721 -16.9841 -17.2843 PRESSURE: 1229000 31.7858 -146.213 102.952 -146.214 -103.029 27.9688 102.953 27.9694 30.9409 GPRESSURE: 1229000 51.5662 -81.925 114.53 -199.668 -105.809 25.0303 88.6942 -7.45869 129.797 PRESSAVG: 1229000 -3.5234 3.70758 17.1018 3.70763 25.1491 10.9204 17.1019 10.9205 -7.28295 GPRESSAVG: 1229000 -3.89411 5.33434 16.8244 1.188 24.9255 10.1778 18.6969 12.4704 -6.95336 TIMING: 1229000 CPU: 3562.2, 0.00293341/step Wall: 3562.2, 0.00293341/step, 3.07275 hours remaining, 208.632812 MB of memory in use. ENERGY: 1229000 748.0911 2090.5506 1935.1493 121.3564 -206157.0701 17775.1037 0.0000 0.0000 34521.2937 -148965.5252 301.4830 -183486.8189 -148861.3937 299.7842 -13.4342 25.1847 556213.2799 4.7809 4.6927 PRESSURE: 1229200 -192.259 56.4909 -75.168 56.4904 -180.415 100.445 -75.1684 100.446 -299.225 GPRESSURE: 1229200 -143.201 23.385 -11.382 50.2234 -142.979 85.6947 -22.1074 132.973 -288.82 PRESSAVG: 1229200 9.57916 9.53187 14.4386 9.53186 17.329 38.7381 14.4386 38.7382 -0.923752 GPRESSAVG: 1229200 9.96023 7.09881 15.5078 10.6334 18.56 40.4993 12.084 38.758 -2.6282 TIMING: 1229200 CPU: 3562.78, 0.00290236/step Wall: 3562.78, 0.00290236/step, 3.04006 hours remaining, 208.632812 MB of memory in use. ENERGY: 1229200 764.2395 2131.6592 1973.1659 121.9002 -205721.7518 17406.4948 0.0000 0.0000 34256.7459 -149067.5462 299.1727 -183324.2921 -148968.2395 300.0485 -223.9662 -191.6666 556650.7782 8.6615 8.6307 PRESSURE: 1229400 -30.7078 93.6646 144.416 93.6636 49.9458 115.975 144.416 115.977 222.956 GPRESSURE: 1229400 -24.4958 93.6867 155.25 115.23 88.2367 111.173 38.8055 136.008 280.831 PRESSAVG: 1229400 -31.2416 -2.11806 7.2503 -2.11812 -7.28619 8.16411 7.2503 8.16417 52.4246 GPRESSAVG: 1229400 -31.4388 -0.50933 7.67626 -3.50454 -6.79614 7.72302 9.1317 7.11545 52.4852 TIMING: 1229400 CPU: 3563.36, 0.00290548/step Wall: 3563.36, 0.00290548/step, 3.04317 hours remaining, 208.632812 MB of memory in use. ENERGY: 1229400 717.6623 2154.1765 1943.9163 128.9933 -206255.1431 17875.0918 0.0000 0.0000 34375.9461 -149059.3569 300.2137 -183435.3030 -148951.9027 299.8223 80.7312 114.8574 557424.3032 4.6323 4.7501 PRESSURE: 1229600 -8.01321 -55.3124 0.91549 -55.3127 -242.132 55.1205 0.91453 55.1211 51.0532 GPRESSURE: 1229600 5.8357 -18.3982 -76.8239 -145.36 -224.328 38.5855 44.99 39.1378 104.968 PRESSAVG: 1229600 -59.6238 -12.3218 1.27957 -12.3218 33.0228 -36.7711 1.27953 -36.771 50.3765 GPRESSAVG: 1229600 -59.5058 -13.0474 0.931259 -12.1721 32.3052 -38.2564 -0.187905 -35.9061 51.2166 TIMING: 1229600 CPU: 3563.94, 0.00291061/step Wall: 3563.94, 0.00291061/step, 3.04838 hours remaining, 208.632812 MB of memory in use. ENERGY: 1229600 762.5299 2090.7244 1941.6365 134.0775 -206128.8812 17714.9118 0.0000 0.0000 34406.1357 -149078.8655 300.4773 -183485.0011 -148984.5856 299.6324 -66.3638 -37.8414 557314.2497 7.9252 8.0053 PRESSURE: 1229800 -36.2781 49.4184 1.63199 49.4177 279.148 -20.8129 1.63277 -20.8113 -20.8624 GPRESSURE: 1229800 18.351 -3.57427 -2.27164 72.4192 282.512 16.221 78.5931 -1.87818 19.1397 PRESSAVG: 1229800 5.41838 29.7077 4.84501 29.7076 -15.568 -49.5026 4.8451 -49.5026 -0.715513 GPRESSAVG: 1229800 6.31658 30.5251 4.66127 29.8956 -16.9369 -49.9798 6.04912 -47.8034 -0.134529 TIMING: 1229800 CPU: 3564.52, 0.00289866/step Wall: 3564.52, 0.00289866/step, 3.03571 hours remaining, 208.632812 MB of memory in use. ENERGY: 1229800 763.3433 2104.6573 1966.5786 122.8800 -206070.9780 17966.3573 0.0000 0.0000 34219.2162 -148927.9453 298.8449 -183147.1614 -148823.0945 300.0302 74.0024 106.6676 558391.2501 -3.6217 -3.5849 PRESSURE: 1230000 -50.1112 -258.952 49.7795 -258.951 -76.0246 72.39 49.7782 72.3898 -149.962 GPRESSURE: 1230000 -25.1278 -247.041 113.424 -191.458 -75.6379 62.3044 -19.0443 38.9147 -85.3458 PRESSAVG: 1230000 23.4975 4.68705 46.6825 4.68692 -14.8716 -2.88946 46.6825 -2.88955 17.5997 GPRESSAVG: 1230000 21.8235 4.34414 47.0571 4.29656 -12.7169 -1.41669 47.4899 -4.34979 17.4828 TIMING: 1230000 CPU: 3565.1, 0.00289475/step Wall: 3565.1, 0.00289475/step, 3.03145 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1230000 744.0450 2157.6825 1921.5955 113.5790 -206029.7979 17648.5489 0.0000 0.0000 34488.0706 -148956.2764 301.1929 -183444.3470 -148861.7820 300.5864 -92.0327 -62.0372 558147.1031 8.7419 8.8631 PRESSURE: 1230200 129.123 -19.1406 94.7119 -19.1409 197.578 -26.8431 94.7112 -26.8423 -2.85415 GPRESSURE: 1230200 129.93 23.5494 11.7245 48.6782 251.729 -3.068 63.5689 -44.215 40.9465 PRESSAVG: 1230200 -57.9417 -17.6729 -9.31297 -17.6729 6.3197 -3.06545 -9.31299 -3.06546 30.0705 GPRESSAVG: 1230200 -57.0483 -18.7323 -11.3652 -16.6335 6.73531 -4.47704 -9.97939 -3.55079 28.5332 TIMING: 1230200 CPU: 3565.68, 0.00289276/step Wall: 3565.68, 0.00289276/step, 3.0292 hours remaining, 208.632812 MB of memory in use. ENERGY: 1230200 724.8310 2139.9897 1928.3502 117.4104 -206258.8052 18083.9695 0.0000 0.0000 34347.3588 -148916.8956 299.9640 -183264.2544 -148826.0490 300.3466 107.9491 140.8686 557420.1184 -7.1838 -7.2600 PRESSURE: 1230400 -398.129 -31.1348 35.1544 -31.134 -136.55 71.969 35.1543 71.9696 77.1814 GPRESSURE: 1230400 -390.484 -79.0144 -20.4464 40.1483 -21.5681 15.5355 41.8713 71.2687 55.4089 PRESSAVG: 1230400 -61.5947 -18.4589 68.5399 -18.4588 5.19639 -44.2179 68.5398 -44.218 44.58 GPRESSAVG: 1230400 -60.9956 -19.4843 69.3477 -18.8566 4.59091 -42.2453 67.6432 -43.101 44.6536 TIMING: 1230400 CPU: 3566.26, 0.00290705/step Wall: 3566.26, 0.00290705/step, 3.04401 hours remaining, 208.632812 MB of memory in use. ENERGY: 1230400 769.5791 2112.2724 1931.9588 117.3413 -205759.5918 17545.8558 0.0000 0.0000 34361.0313 -148921.5531 300.0834 -183282.5844 -148815.3609 300.1275 -152.4992 -118.8812 557571.9492 -3.9394 -3.9170 PRESSURE: 1230600 -117.283 -108.112 67.3687 -108.111 10.5231 -39.6238 67.3697 -39.623 -255.329 GPRESSURE: 1230600 -98.1331 -105.71 82.8571 -133.69 18.5191 -29.7802 126.717 -7.05333 -187.218 PRESSAVG: 1230600 34.4592 -0.745299 8.75411 -0.745177 -52.3475 -24.3027 8.75404 -24.3028 26.5697 GPRESSAVG: 1230600 33.3823 1.41634 9.78437 -1.88089 -52.9948 -23.9651 10.7258 -26.4857 28.1424 TIMING: 1230600 CPU: 3566.84, 0.0029023/step Wall: 3566.84, 0.0029023/step, 3.03887 hours remaining, 208.632812 MB of memory in use. ENERGY: 1230600 786.0271 2068.1368 1945.5912 119.9792 -205885.1843 17692.0478 0.0000 0.0000 34186.8981 -149086.5041 298.5627 -183273.4022 -148981.5762 299.8880 -120.6963 -88.9441 557602.2798 2.8938 2.8433 PRESSURE: 1230800 -6.2297 -46.3388 -141.372 -46.339 321.29 -146.576 -141.372 -146.576 166.645 GPRESSURE: 1230800 3.91732 -68.5739 -157.187 -35.272 402.02 -25.3068 -68.1577 -124.766 179.519 PRESSAVG: 1230800 -29.6698 -45.6786 -14.6147 -45.6786 26.5729 14.8291 -14.6147 14.8289 16.9383 GPRESSAVG: 1230800 -30.0216 -46.8368 -14.6874 -45.1782 27.5878 13.8764 -14.4564 15.2802 15.9229 TIMING: 1230800 CPU: 3567.42, 0.00290449/step Wall: 3567.42, 0.00290449/step, 3.041 hours remaining, 208.632812 MB of memory in use. ENERGY: 1230800 749.8438 2098.8866 1917.2204 115.0193 -206313.3854 17966.0224 0.0000 0.0000 34448.1326 -149018.2603 300.8441 -183466.3929 -148914.6068 301.0253 160.5685 195.1520 556243.1102 4.6138 4.4964 PRESSURE: 1231000 322.419 123.303 101.744 123.303 290.975 69.4429 101.745 69.4422 -30.9723 GPRESSURE: 1231000 387.99 85.6843 118.747 180.761 273.456 138.601 36.1938 109.099 16.655 PRESSAVG: 1231000 19.3782 -16.7023 15.0649 -16.7024 -20.6025 -5.14447 15.0648 -5.14452 8.86302 GPRESSAVG: 1231000 18.8532 -16.3959 13.295 -17.7211 -20.0196 -4.95817 14.4286 -3.6276 9.39738 TIMING: 1231000 CPU: 3568, 0.00291996/step Wall: 3568, 0.00291996/step, 3.05704 hours remaining, 208.632812 MB of memory in use. ENERGY: 1231000 738.0514 2070.6166 1951.8004 114.7906 -206605.1681 18159.1563 0.0000 0.0000 34448.1298 -149122.6230 300.8441 -183570.7528 -149019.2435 300.1485 194.1404 226.0339 556507.1889 2.5462 2.7437 PRESSURE: 1231200 254.277 32.3767 -67.6072 32.376 -45.454 -100.451 -67.6072 -100.451 272.774 GPRESSURE: 1231200 218.369 143.244 -24.7515 -35.2793 35.1179 -183.534 -41.1523 -105.189 330.437 PRESSAVG: 1231200 -12.6822 53.2409 44.9352 53.2409 44.7311 -1.47585 44.9352 -1.47594 34.1665 GPRESSAVG: 1231200 -12.6863 53.4902 45.9322 54.0221 44.2968 -1.96104 43.6977 -2.32016 34.0496 TIMING: 1231200 CPU: 3568.58, 0.00290477/step Wall: 3568.58, 0.00290477/step, 3.04097 hours remaining, 208.632812 MB of memory in use. ENERGY: 1231200 748.4436 2084.5189 1939.2514 103.9750 -206175.9452 17930.1130 0.0000 0.0000 34362.6103 -149007.0331 300.0972 -183369.6435 -148917.4947 300.3245 160.5324 194.6415 555629.1145 22.0718 21.8867 PRESSURE: 1231400 -337.575 96.4308 33.8415 96.4309 -80.0736 150.994 33.8416 150.996 -132.916 GPRESSURE: 1231400 -328.802 125.677 23.6898 38.8237 -4.80714 256.119 40.0651 119.638 -121.281 PRESSAVG: 1231400 10.0583 28.6043 25.081 28.6044 10.4142 9.62063 25.081 9.62057 -48.4461 GPRESSAVG: 1231400 10.8445 29.9859 26.5539 27.5711 9.70878 11.2768 23.1988 8.67703 -48.0678 TIMING: 1231400 CPU: 3569.17, 0.00290865/step Wall: 3569.17, 0.00290865/step, 3.04487 hours remaining, 208.632812 MB of memory in use. ENERGY: 1231400 756.9243 2117.7836 1948.8113 115.3980 -205885.0555 17667.7853 0.0000 0.0000 34244.7534 -149033.5996 299.0679 -183278.3530 -148936.9797 300.1990 -183.5215 -151.6302 558420.7966 -9.3245 -9.1715 PRESSURE: 1231600 92.0615 230.478 1.37769 230.478 351.128 4.51357 1.37588 4.5149 187.788 GPRESSURE: 1231600 99.0066 131.368 15.5792 244.691 352.885 -27.0039 -5.84641 -3.31319 265.864 PRESSAVG: 1231600 -51.7184 12.994 -24.4317 12.9941 45.7955 18.8039 -24.4318 18.804 74.7408 GPRESSAVG: 1231600 -51.8012 9.94707 -22.8553 13.8412 46.7408 18.025 -24.3154 19.7484 74.3726 TIMING: 1231600 CPU: 3569.75, 0.00289821/step Wall: 3569.75, 0.00289821/step, 3.03378 hours remaining, 208.632812 MB of memory in use. ENERGY: 1231600 755.3093 2164.1888 1939.3769 113.3901 -206552.3210 18231.4690 0.0000 0.0000 34202.9520 -149145.6349 298.7029 -183348.5869 -149059.8588 299.6757 210.3257 239.2520 557245.5850 22.9393 23.1041 PRESSURE: 1231800 -160.513 -69.9104 -127.34 -69.9116 -18.6886 54.1336 -127.339 54.134 -102.093 GPRESSURE: 1231800 -166.368 -58.811 -49.1955 -91.0495 57.0018 17.7778 -122.08 119.296 -59.3614 PRESSAVG: 1231800 -69.4036 40.4381 -0.234143 40.4381 -31.5395 -28.1269 -0.234167 -28.1269 109.44 GPRESSAVG: 1231800 -70.4886 42.2142 -1.87866 39.4114 -30.6306 -28.0405 3.38012 -29.544 109.665 TIMING: 1231800 CPU: 3570.33, 0.002897/step Wall: 3570.33, 0.002897/step, 3.03236 hours remaining, 208.632812 MB of memory in use. ENERGY: 1231800 724.9461 2102.7854 1961.9594 114.5830 -206013.3051 17723.3597 0.0000 0.0000 34394.2359 -148991.4356 300.3734 -183385.6715 -148889.6197 299.3771 -93.7649 -56.2427 559091.2976 2.8323 2.8487 PRESSURE: 1232000 60.04 -17.216 -95.4918 -17.2173 113.829 29.391 -95.4926 29.3912 -182.85 GPRESSURE: 1232000 107.774 -45.4052 -201.629 46.653 143.804 49.0926 -37.4204 -17.0185 -157.315 PRESSAVG: 1232000 -19.1278 -26.052 -22.5983 -26.052 22.7564 2.71991 -22.5983 2.72006 21.7714 GPRESSAVG: 1232000 -17.8946 -26.8979 -23.3044 -25.3308 22.2441 2.73383 -23.0959 3.14631 21.4316 TIMING: 1232000 CPU: 3570.9, 0.00288877/step Wall: 3570.9, 0.00288877/step, 3.02358 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1232000 772.9926 2089.2403 1956.4558 102.5286 -205785.8159 17798.9630 0.0000 0.0000 34161.4336 -148904.2020 298.3403 -183065.6356 -148811.1463 299.3606 -2.9935 31.4211 558713.9363 8.4667 8.5937 PRESSURE: 1232200 -133.831 55.4472 -159.889 55.4482 -144.378 -33.5292 -159.89 -33.5294 -38.9073 GPRESSURE: 1232200 -204.463 158.374 -117.735 21.651 -60.0099 -26.2174 -109.441 22.0172 45.5612 PRESSAVG: 1232200 -24.2366 -30.0157 -64.0914 -30.0157 32.7616 -3.7622 -64.0913 -3.76233 -46.417 GPRESSAVG: 1232200 -24.7965 -28.5998 -63.6525 -30.3553 33.569 -2.56973 -64.8526 -3.81116 -47.0742 TIMING: 1232200 CPU: 3571.48, 0.00290289/step Wall: 3571.48, 0.00290289/step, 3.03819 hours remaining, 208.632812 MB of memory in use. ENERGY: 1232200 758.7891 2133.5284 1904.9951 108.2254 -205433.6565 17492.8263 0.0000 0.0000 34285.6690 -148749.6233 299.4253 -183035.2924 -148653.8180 300.1193 -105.7056 -72.9705 558276.1942 -12.6306 -12.7672 LDB: ============= START OF LOAD BALANCING ============== 3574.87 LDB: ============== END OF LOAD BALANCING =============== 3574.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3574.87 LDB: ============= START OF LOAD BALANCING ============== 3575.16 LDB: Largest compute 4822 load 0.026372 is 22.4% of average load 0.117920 LDB: Average compute 0.001709 is 1.4% of average load 0.117920 LDB: TIME 3575.17 LOAD: AVG 0.11792 MAX 0.185136 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.371 MB LDB: TIME 3575.17 LOAD: AVG 0.11792 MAX 0.185136 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.371 MB LDB: TIME 3575.17 LOAD: AVG 0.11792 MAX 0.185136 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.371 MB LDB: ============== END OF LOAD BALANCING =============== 3575.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3575.17 PRESSURE: 1232400 -92.4819 19.5374 90.3425 19.5377 303.763 67.7743 90.3424 67.7749 57.9777 GPRESSURE: 1232400 -13.8111 42.2123 55.9079 -5.04436 342.806 66.1055 139.77 91.0929 48.6021 PRESSAVG: 1232400 -31.4972 42.2289 24.5515 42.2289 0.697885 12.5042 24.5516 12.5042 26.204 GPRESSAVG: 1232400 -31.4376 42.5431 23.5694 41.1262 -0.844805 10.3771 25.46 13.8346 27.4106 TIMING: 1232400 CPU: 3572.08, 0.0029666/step Wall: 3572.08, 0.0029666/step, 3.10471 hours remaining, 209.394531 MB of memory in use. ENERGY: 1232400 746.7078 2116.2281 1918.7563 104.6300 -205671.8273 17814.0131 0.0000 0.0000 34084.4364 -148887.0555 297.6679 -182971.4919 -148795.6944 300.4808 89.7530 125.8658 557296.1394 -1.5318 -1.6239 PRESSURE: 1232600 -254.163 54.1785 32.3272 54.1788 127.666 229.512 32.3282 229.511 -231.042 GPRESSURE: 1232600 -195.332 59.3291 41.1583 113.852 170.365 161.278 -1.41853 280.22 -221.386 PRESSAVG: 1232600 25.1267 5.62854 83.8119 5.62849 -2.58725 12.8784 83.8118 12.8784 -10.1303 GPRESSAVG: 1232600 25.43 4.42119 83.1718 8.28815 -0.833575 14.5917 84.2604 12.5043 -11.9377 TIMING: 1232600 CPU: 3572.66, 0.00290536/step Wall: 3572.66, 0.00290536/step, 3.04046 hours remaining, 209.539062 MB of memory in use. ENERGY: 1232600 753.5605 2117.5870 1936.8787 112.3250 -205426.6568 17513.5994 0.0000 0.0000 34177.2982 -148815.4080 298.4788 -182992.7062 -148715.5795 300.0137 -119.1798 -82.1174 558389.9010 4.1364 4.2196 PRESSURE: 1232800 210.517 4.49773 147.265 4.49708 252.167 -86.8562 147.263 -86.8555 -30.0262 GPRESSURE: 1232800 222.162 -20.014 86.2826 5.87765 262.653 -82.9098 98.4815 -44.138 44.1923 PRESSAVG: 1232800 16.8134 -47.8435 27.8601 -47.8435 -30.1496 39.6743 27.8601 39.6744 24.2846 GPRESSAVG: 1232800 16.5304 -48.508 29.6786 -46.4402 -30.8945 40.3794 27.8904 38.7285 25.6305 TIMING: 1232800 CPU: 3573.24, 0.00288413/step Wall: 3573.24, 0.00288413/step, 3.01809 hours remaining, 209.539062 MB of memory in use. ENERGY: 1232800 732.1978 2171.3430 1940.2116 119.1542 -206258.9464 18012.6690 0.0000 0.0000 34385.8891 -148897.4816 300.3005 -183283.3707 -148796.6233 300.0494 144.2193 176.3357 557385.8762 3.6495 3.7555 PRESSURE: 1233000 -46.9136 -164.726 -15.9032 -164.727 -54.1305 32.0479 -15.9034 32.0484 -302.037 GPRESSURE: 1233000 -31.944 -152.919 -36.8722 -138.831 -36.8069 32.5455 -38.8418 -61.8913 -233.994 PRESSAVG: 1233000 -8.03962 -9.12958 23.8292 -9.12969 41.381 -22.2678 23.8293 -22.2678 -13.4074 GPRESSAVG: 1233000 -8.55175 -8.6591 23.335 -11.138 41.267 -23.8413 24.852 -21.3226 -13.2204 TIMING: 1233000 CPU: 3573.81, 0.00288521/step Wall: 3573.81, 0.00288521/step, 3.01905 hours remaining, 209.539062 MB of memory in use. ENERGY: 1233000 775.9281 2076.0983 1991.9743 105.9350 -205819.7909 17621.2632 0.0000 0.0000 34313.7900 -148934.8020 299.6709 -183248.5920 -148837.5144 300.1697 -134.3604 -100.9151 559028.2224 6.6447 6.4983 PRESSURE: 1233200 -88.1142 -141.646 26.1653 -141.646 -104.182 -54.0983 26.1655 -54.0959 -292.136 GPRESSURE: 1233200 -81.2611 -152.458 44.8895 -22.3464 -73.3801 -7.6068 25.3236 25.6983 -231.7 PRESSAVG: 1233200 11.0942 -40.7406 38.6669 -40.7407 57.2511 -7.86963 38.6669 -7.86948 -44.5714 GPRESSAVG: 1233200 11.288 -39.5039 39.3707 -40.8338 57.3136 -8.42342 36.6005 -6.34825 -44.7569 TIMING: 1233200 CPU: 3574.39, 0.0029035/step Wall: 3574.39, 0.0029035/step, 3.03803 hours remaining, 209.539062 MB of memory in use. ENERGY: 1233200 789.1411 2109.4325 1957.3423 122.9070 -206088.4549 17598.1329 0.0000 0.0000 34565.9885 -148945.5106 301.8734 -183511.4991 -148844.9601 300.2392 -161.4776 -128.7803 557247.3346 7.9246 7.9482 PRESSURE: 1233400 173.209 1.62313 -42.9478 1.62369 -167.47 -16.0735 -42.9473 -16.0733 18.0301 GPRESSURE: 1233400 205.799 -8.61975 -117.263 42.9089 -192.399 -114.198 33.6293 -50.6064 110.523 PRESSAVG: 1233400 -11.1582 -51.3541 31.7311 -51.3541 39.0817 -34.4032 31.7311 -34.4031 2.73765 GPRESSAVG: 1233400 -9.5556 -49.7411 29.6212 -52.1698 38.4269 -32.7413 34.1708 -36.5287 2.21661 TIMING: 1233400 CPU: 3574.98, 0.00292228/step Wall: 3574.98, 0.00292228/step, 3.05751 hours remaining, 209.539062 MB of memory in use. ENERGY: 1233400 760.1403 2154.4245 1977.0702 104.5825 -206175.4401 17986.6620 0.0000 0.0000 34315.4170 -148877.1436 299.6851 -183192.5606 -148781.1922 299.7399 7.9229 41.3078 557162.1523 10.2204 10.3626 PRESSURE: 1233600 -188.629 -113.67 61.6515 -113.67 -42.1091 42.5645 61.6504 42.5649 -116.378 GPRESSURE: 1233600 -164.992 -121.871 60.1889 -94.1711 52.3711 4.23253 65.9362 -23.3766 -142.561 PRESSAVG: 1233600 55.7021 -26.2168 -39.034 -26.2169 1.29949 -17.8674 -39.034 -17.8674 -4.34472 GPRESSAVG: 1233600 55.1049 -28.0935 -36.4635 -25.3336 1.855 -18.9942 -42.8355 -18.4517 -4.83541 TIMING: 1233600 CPU: 3575.56, 0.00289122/step Wall: 3575.56, 0.00289122/step, 3.02486 hours remaining, 209.539062 MB of memory in use. ENERGY: 1233600 751.1440 2092.6561 1985.9744 109.9907 -205370.4923 17249.0238 0.0000 0.0000 34403.4256 -148778.2777 300.4537 -183181.7033 -148688.3279 300.7996 -115.7053 -85.0608 557589.5925 17.5523 17.3748 PRESSURE: 1233800 -167.763 7.18922 -0.838099 7.18816 64.2217 -96.557 -0.838235 -96.5569 -232.399 GPRESSURE: 1233800 -127.546 52.4592 31.0825 32.0934 91.3934 -42.9435 11.2406 -101.953 -195.945 PRESSAVG: 1233800 -37.111 57.6261 45.3804 57.6261 48.7799 43.2718 45.3803 43.2718 -31.0534 GPRESSAVG: 1233800 -37.6451 56.9068 44.4564 56.4256 48.3941 41.8327 47.4053 44.678 -29.4378 TIMING: 1233800 CPU: 3576.14, 0.00292836/step Wall: 3576.14, 0.00292836/step, 3.06355 hours remaining, 209.539062 MB of memory in use. ENERGY: 1233800 776.5687 2120.7899 1944.3052 117.8401 -205643.9869 17695.9103 0.0000 0.0000 34104.8215 -148883.7513 297.8459 -182988.5728 -148794.9992 300.6195 -111.9802 -77.3659 558683.1339 -6.4615 -6.2296 PRESSURE: 1234000 -144.557 -73.4943 -97.0484 -73.4934 281.496 138.17 -97.0482 138.173 -124.907 GPRESSURE: 1234000 -73.1977 -93.4266 -59.3049 10.8317 275.112 100.578 -58.6039 162.895 -101.396 PRESSAVG: 1234000 20.817 2.61299 4.23273 2.61295 -16.5325 -49.1028 4.23268 -49.1028 -3.4466 GPRESSAVG: 1234000 20.9856 2.53073 2.89269 3.97039 -16.7416 -47.3701 6.23458 -49.9507 -4.1267 TIMING: 1234000 CPU: 3576.72, 0.00289938/step Wall: 3576.72, 0.00289938/step, 3.03308 hours remaining, 209.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1234000 767.4761 2086.6073 1956.9975 121.8592 -205881.2352 17893.6136 0.0000 0.0000 34310.1859 -148744.4957 299.6394 -183054.6816 -148648.4450 300.5697 4.0109 33.5060 559002.0883 0.2793 0.0391 PRESSURE: 1234200 -10.5142 67.52 -37.293 67.5202 113.65 -19.3916 -37.2944 -19.3919 -289.928 GPRESSURE: 1234200 28.7741 107.477 -34.4451 4.84909 111.872 -21.5824 -4.07824 33.4696 -243.338 PRESSAVG: 1234200 -13.4683 -7.85665 0.30134 -7.85666 -51.7929 48.4328 0.301382 48.4328 27.0236 GPRESSAVG: 1234200 -12.4582 -4.60919 0.784666 -9.5373 -51.9476 47.0793 -0.850875 49.5465 26.0466 TIMING: 1234200 CPU: 3577.3, 0.00288503/step Wall: 3577.3, 0.00288503/step, 3.0179 hours remaining, 209.800781 MB of memory in use. ENERGY: 1234200 711.9643 2055.4284 1959.6666 118.9755 -205508.9859 17513.5363 0.0000 0.0000 34334.8084 -148814.6063 299.8544 -183149.4146 -148720.5600 300.3845 -62.2642 -34.2306 558299.3577 -12.7458 -12.7864 PRESSURE: 1234400 -185.026 -67.3828 -28.3599 -67.3822 209.502 8.81607 -28.3601 8.8156 -211.469 GPRESSURE: 1234400 -145.098 -100.832 -30.2599 -88.7457 196.182 26.9971 -77.3893 4.96012 -134.859 PRESSAVG: 1234400 14.5473 14.6944 27.0844 14.6944 7.71891 -1.97194 27.0845 -1.97179 -45.8789 GPRESSAVG: 1234400 13.3539 12.7165 27.8325 17.074 7.53103 -0.578722 25.6642 -1.26832 -44.3613 TIMING: 1234400 CPU: 3577.88, 0.00289794/step Wall: 3577.88, 0.00289794/step, 3.03125 hours remaining, 209.871094 MB of memory in use. ENERGY: 1234400 738.7501 2076.5318 1938.1003 117.7087 -205805.5347 17745.2599 0.0000 0.0000 34329.9877 -148859.1961 299.8123 -183189.1838 -148759.8634 300.3523 -62.3311 -27.9254 558420.7343 -7.8709 -7.8254 PRESSURE: 1234600 -139.165 -166.267 51.6102 -166.267 -111.518 31.0587 51.6099 31.0599 61.3227 GPRESSURE: 1234600 -136.207 -29.011 -15.0936 -232.767 -71.6199 21.9074 108.008 68.8354 118.087 PRESSAVG: 1234600 -40.1685 30.9825 22.0125 30.9823 7.21548 6.94094 22.0125 6.94096 1.79364 GPRESSAVG: 1234600 -40.5689 31.4436 20.1542 29.1228 7.20301 7.56211 25.3608 5.63769 1.79984 TIMING: 1234600 CPU: 3578.46, 0.00289391/step Wall: 3578.46, 0.00289391/step, 3.02686 hours remaining, 209.871094 MB of memory in use. ENERGY: 1234600 765.8187 2082.0443 1905.5547 119.6763 -205982.2951 17900.4312 0.0000 0.0000 34417.5962 -148791.1737 300.5774 -183208.7699 -148687.7845 300.5568 -63.1201 -29.9134 558177.9131 -10.3864 -10.5220 PRESSURE: 1234800 -172.612 119.45 -76.577 119.449 -202.548 -120.475 -76.5783 -120.477 -51.0987 GPRESSURE: 1234800 -122.495 70.2811 -112.159 122.712 -182.491 -113.835 -96.3115 -102.978 -42.5839 PRESSAVG: 1234800 45.4001 2.50803 -10.015 2.50805 -10.0829 17.7337 -10.015 17.7338 11.9991 GPRESSAVG: 1234800 46.035 1.95003 -9.59294 3.19048 -9.93437 18.1836 -12.3503 18.0912 11.0472 TIMING: 1234800 CPU: 3579.04, 0.00290152/step Wall: 3579.04, 0.00290152/step, 3.03467 hours remaining, 209.871094 MB of memory in use. ENERGY: 1234800 757.0977 2080.7385 1930.6299 112.6305 -205784.9920 17629.6567 0.0000 0.0000 34433.4591 -148840.7795 300.7160 -183274.2386 -148743.0225 299.9639 -142.0863 -115.8564 559617.1986 15.7721 15.7159 PRESSURE: 1235000 -123.44 22.8578 -153.552 22.8587 -49.5952 90.3434 -153.552 90.3437 33.3233 GPRESSURE: 1235000 -53.1048 22.2893 -162.19 -41.5632 -22.2001 118.052 -44.6588 34.7815 11.9632 PRESSAVG: 1235000 18.77 -1.15944 -35.6937 -1.15949 -51.9942 -47.5272 -35.6937 -47.5272 25.0373 GPRESSAVG: 1235000 18.1876 -1.16768 -33.2696 -1.54482 -52.2447 -48.2343 -35.5424 -45.9611 25.3557 TIMING: 1235000 CPU: 3579.62, 0.00292066/step Wall: 3579.62, 0.00292066/step, 3.05453 hours remaining, 209.871094 MB of memory in use. ENERGY: 1235000 775.5979 2085.8147 1961.2882 96.7362 -205886.2853 17735.4272 0.0000 0.0000 34328.4883 -148902.9327 299.7992 -183231.4211 -148810.1271 300.1584 -46.5707 -21.1139 558211.3351 -2.7290 -2.9005 PRESSURE: 1235200 -125.298 127.817 -100.061 127.817 -214.368 98.045 -100.061 98.0438 -209.664 GPRESSURE: 1235200 -49.1107 157.061 -68.298 107.596 -200.513 122.906 -45.9222 106.195 -189.271 PRESSAVG: 1235200 -6.15346 47.9745 -4.7843 47.9743 -24.6655 64.3652 -4.78436 64.3653 -3.57965 GPRESSAVG: 1235200 -5.62116 48.7672 -5.03737 46.3343 -23.6284 63.7768 -7.27562 64.6118 -4.35813 TIMING: 1235200 CPU: 3580.2, 0.00290668/step Wall: 3580.2, 0.00290668/step, 3.03974 hours remaining, 209.871094 MB of memory in use. ENERGY: 1235200 729.9219 2075.8309 1950.1583 112.4348 -205740.0706 17487.2290 0.0000 0.0000 34443.0735 -148941.4222 300.7999 -183384.4957 -148841.3650 299.8320 -183.1099 -146.2985 557864.8755 -11.4662 -11.2026 PRESSURE: 1235400 -71.21 -71.9176 -13.6407 -71.917 -132.136 236.413 -13.6405 236.414 -120.496 GPRESSURE: 1235400 -64.7427 -92.9744 -110.555 -143.854 -88.9077 180.576 -2.78817 262.169 -59.0153 PRESSAVG: 1235400 52.4886 44.2408 0.023938 44.2409 -3.30062 70.5378 0.0239564 70.5377 21.2392 GPRESSAVG: 1235400 52.5501 43.2576 0.755231 45.0247 -3.72543 69.7547 1.26548 70.9065 21.7539 TIMING: 1235400 CPU: 3580.78, 0.00289694/step Wall: 3580.78, 0.00289694/step, 3.0294 hours remaining, 209.871094 MB of memory in use. ENERGY: 1235400 783.0079 2062.6271 1931.4489 98.2344 -205718.7207 17699.3132 0.0000 0.0000 34275.9049 -148868.1843 299.3400 -183144.0892 -148770.9282 300.1297 -107.9474 -70.8886 559184.0711 23.4757 23.5262 PRESSURE: 1235600 188.923 -57.6735 62.908 -57.6728 76.7574 187.828 62.9083 187.829 85.9149 GPRESSURE: 1235600 220.851 -71.439 119.612 -39.5273 50.7178 220.65 50.9043 181.164 164.596 PRESSAVG: 1235600 -4.95142 20.9256 -8.28971 20.9256 -36.0204 23.2992 -8.28958 23.2992 21.3092 GPRESSAVG: 1235600 -4.61036 19.9541 -8.66965 23.8077 -35.1173 26.2204 -9.65421 19.744 19.9419 TIMING: 1235600 CPU: 3581.36, 0.0028924/step Wall: 3581.36, 0.0028924/step, 3.02449 hours remaining, 209.871094 MB of memory in use. ENERGY: 1235600 741.3494 2112.5145 1937.1755 117.2182 -206119.0928 17890.5249 0.0000 0.0000 34378.0961 -148942.2142 300.2325 -183320.3103 -148842.3999 299.8563 117.1983 145.3882 556979.1318 -6.5542 -6.5953 PRESSURE: 1235800 47.1657 147.03 -198.35 147.03 -284.775 35.3969 -198.348 35.3979 194.565 GPRESSURE: 1235800 74.1061 147.635 -128.756 155.155 -284.592 134.713 -143.624 -43.7035 264.81 PRESSAVG: 1235800 18.1034 46.5257 0.524738 46.5257 8.2516 37.2466 0.524809 37.2468 -1.97689 GPRESSAVG: 1235800 18.0098 46.0949 -1.35272 46.4485 7.61453 35.7253 3.38341 39.7765 -1.8211 TIMING: 1235800 CPU: 3581.94, 0.0028967/step Wall: 3581.94, 0.0028967/step, 3.02882 hours remaining, 209.871094 MB of memory in use. ENERGY: 1235800 746.8695 2097.6204 1928.0565 113.8933 -206123.6644 17746.5527 0.0000 0.0000 34575.1413 -148915.5307 301.9533 -183490.6720 -148822.4593 299.9851 -14.3482 18.1081 556913.3982 8.1260 7.9344 PRESSURE: 1236000 129.213 -86.3543 -12.1285 -86.3533 73.5286 -94.6137 -12.1288 -94.6142 284.8 GPRESSURE: 1236000 143.087 -40.9942 43.2071 -84.4368 143.79 -94.3669 -51.1629 -123.434 284.453 PRESSAVG: 1236000 17.0716 63.2802 -35.1781 63.2803 -36.64 -80.8955 -35.1782 -80.8955 32.3466 GPRESSAVG: 1236000 15.9586 62.6848 -34.6389 63.0276 -37.0647 -79.4962 -36.8296 -83.0355 32.9007 TIMING: 1236000 CPU: 3582.52, 0.00290569/step Wall: 3582.52, 0.00290569/step, 3.03806 hours remaining, 209.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1236000 728.8556 2083.7913 1942.6938 113.4778 -206315.7004 17971.9640 0.0000 0.0000 34454.0585 -149020.8592 300.8959 -183474.9177 -148921.4283 299.9433 162.5138 190.4433 557395.6321 4.2594 3.9315 PRESSURE: 1236200 140.942 14.8283 117.903 14.8289 117.479 47.2073 117.903 47.2067 -65.1333 GPRESSURE: 1236200 163.957 -33.0288 121.643 84.1619 110.117 109.775 84.4916 -6.05173 19.1976 PRESSAVG: 1236200 68.1059 30.8623 28.9394 30.8623 -23.0277 -52.2197 28.9393 -52.2197 -19.6762 GPRESSAVG: 1236200 69.2264 31.4631 29.969 30.3413 -24.8422 -52.8059 28.4519 -51.063 -19.0323 TIMING: 1236200 CPU: 3583.1, 0.00290595/step Wall: 3583.1, 0.00290595/step, 3.03817 hours remaining, 209.871094 MB of memory in use. ENERGY: 1236200 715.7953 2126.4850 1927.2542 103.9080 -205868.4640 17665.7278 0.0000 0.0000 34415.3074 -148913.9863 300.5574 -183329.2937 -148821.6881 300.3037 64.4292 97.7570 557148.9499 8.4673 8.4506 LDB: ============= START OF LOAD BALANCING ============== 3586.49 LDB: ============== END OF LOAD BALANCING =============== 3586.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3586.49 LDB: ============= START OF LOAD BALANCING ============== 3586.78 LDB: Largest compute 4822 load 0.024890 is 21.1% of average load 0.117965 LDB: Average compute 0.001707 is 1.4% of average load 0.117965 LDB: TIME 3586.79 LOAD: AVG 0.117965 MAX 0.1837 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 3586.79 LOAD: AVG 0.117965 MAX 0.1837 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.992 MB LDB: TIME 3586.79 LOAD: AVG 0.117965 MAX 0.1837 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.992 MB LDB: ============== END OF LOAD BALANCING =============== 3586.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3586.79 PRESSURE: 1236400 261.977 31.5254 88.6424 31.5252 360.167 64.1896 88.6437 64.1875 154.987 GPRESSURE: 1236400 320.638 -55.892 84.0175 135.471 356.268 125.208 124.847 15.6684 199.038 PRESSAVG: 1236400 108.537 -2.50322 -8.91258 -2.50331 -17.8437 19.7003 -8.91256 19.7004 -75.2994 GPRESSAVG: 1236400 109.501 -0.965695 -9.52187 -5.64553 -16.8539 18.3046 -8.78926 20.9152 -76.8043 TIMING: 1236400 CPU: 3583.7, 0.00297174/step Wall: 3583.7, 0.00297174/step, 3.10678 hours remaining, 209.417969 MB of memory in use. ENERGY: 1236400 747.1719 2102.9707 1956.8695 121.0596 -206479.3046 18179.0184 0.0000 0.0000 34289.0081 -149083.2065 299.4544 -183372.2146 -148991.9809 299.3580 259.0436 291.9811 558460.1838 5.1312 5.2811 PRESSURE: 1236600 -220.733 56.618 143.262 56.6169 -217.206 194.127 143.261 194.126 -84.6443 GPRESSURE: 1236600 -141.215 9.32126 130.103 69.1983 -237.983 164.955 165.92 279.25 -42.7033 PRESSAVG: 1236600 9.32052 21.0738 -32.9041 21.0737 14.2142 111.948 -32.9042 111.948 -25.6967 GPRESSAVG: 1236600 8.29373 20.1118 -34.7168 24.9875 14.6109 112.307 -30.9749 112.732 -24.9322 TIMING: 1236600 CPU: 3584.28, 0.00289897/step Wall: 3584.28, 0.00289897/step, 3.03055 hours remaining, 209.417969 MB of memory in use. ENERGY: 1236600 730.3056 2132.8593 1952.3297 123.5552 -206307.6461 17862.2188 0.0000 0.0000 34349.2101 -149157.1674 299.9802 -183506.3776 -149053.2931 299.5197 -174.1947 -140.6337 560116.4568 -0.7207 -0.6758 PRESSURE: 1236800 -108.287 -55.9397 161.9 -55.9394 -19.8545 109.887 161.9 109.886 -278.457 GPRESSURE: 1236800 -74.8907 -36.3356 44.5847 -85.8972 -37 29.5039 271.006 144.68 -189.328 PRESSAVG: 1236800 -18.3129 58.6782 27.0798 58.6783 46.0801 73.4914 27.0799 73.4914 -6.22344 GPRESSAVG: 1236800 -17.6126 61.5429 27.115 54.9045 44.6951 72.7538 25.9829 73.5881 -6.21671 TIMING: 1236800 CPU: 3584.85, 0.00289437/step Wall: 3584.85, 0.00289437/step, 3.02558 hours remaining, 209.417969 MB of memory in use. ENERGY: 1236800 776.0015 2119.3951 1905.1669 109.4589 -206193.4206 17695.7563 0.0000 0.0000 34209.9174 -149377.7244 298.7637 -183587.6418 -149281.5659 299.1195 -135.5329 -100.4063 557410.3279 7.1813 6.9553 PRESSURE: 1237000 32.3688 19.8311 172.574 19.8312 8.00613 78.3001 172.573 78.2994 84.3812 GPRESSURE: 1237000 26.2262 34.747 138.387 42.0774 89.2838 82.2604 225.471 54.4889 108.117 PRESSAVG: 1237000 25.2474 -42.0869 13.5609 -42.0869 23.8744 40.3451 13.5608 40.3453 -13.48 GPRESSAVG: 1237000 24.0949 -46.9276 15.482 -38.0628 24.7343 40.3253 12.4938 40.8515 -12.6602 TIMING: 1237000 CPU: 3585.44, 0.00290537/step Wall: 3585.44, 0.00290537/step, 3.03691 hours remaining, 209.417969 MB of memory in use. ENERGY: 1237000 778.2582 2089.9337 1938.8567 104.5959 -206347.5930 17989.7624 0.0000 0.0000 34192.0218 -149254.1644 298.6074 -183446.1861 -149163.2633 298.7338 41.5854 74.5425 556269.6831 11.8806 12.0563 PRESSURE: 1237200 -5.53061 2.17019 110.019 2.17132 -469.722 287.668 110.021 287.666 13.448 GPRESSURE: 1237200 -38.8265 -50.7237 150.06 -6.43662 -381.423 248.865 202.382 215.964 59.5936 PRESSAVG: 1237200 45.6487 -40.0761 20.0844 -40.076 -51.9275 65.183 20.0844 65.1829 -1.24829 GPRESSAVG: 1237200 45.9372 -38.6492 19.6443 -41.773 -51.4515 66.4261 21.9176 64.5931 -1.98696 TIMING: 1237200 CPU: 3586.01, 0.00288606/step Wall: 3586.01, 0.00288606/step, 3.01657 hours remaining, 209.621094 MB of memory in use. ENERGY: 1237200 750.3426 2123.1086 1919.5972 109.0436 -205811.8139 17498.9895 0.0000 0.0000 34166.1818 -149244.5505 298.3818 -183410.7323 -149142.6897 299.1465 -153.9347 -120.2187 557683.7015 -2.5090 -2.5004 PRESSURE: 1237400 167.963 101.858 -55.9986 101.859 4.24796 -126.737 -55.9977 -126.736 19.2611 GPRESSURE: 1237400 129.743 100.367 -110.523 39.0213 45.8591 -149.439 5.11784 -77.4821 108.354 PRESSAVG: 1237400 98.9195 3.44608 6.79031 3.44612 5.57082 -2.64647 6.79037 -2.64647 -64.8895 GPRESSAVG: 1237400 97.4019 4.73733 5.16831 1.04682 5.94025 -2.48566 6.16536 -4.57557 -64.2404 TIMING: 1237400 CPU: 3586.59, 0.00288776/step Wall: 3586.59, 0.00288776/step, 3.01819 hours remaining, 209.621094 MB of memory in use. ENERGY: 1237400 733.8271 2104.8671 1914.8919 112.9132 -205857.2226 17650.2709 0.0000 0.0000 34315.7207 -149024.7317 299.6877 -183340.4524 -148931.6960 299.6406 63.8240 94.6523 557626.9927 13.2003 13.0339 PRESSURE: 1237600 -236.207 -38.7648 -22.0952 -38.7654 127.677 63.1167 -22.094 63.1154 -163.022 GPRESSURE: 1237600 -121.813 2.62994 -49.4483 -24.3603 108.627 31.3252 -11.1459 67.2862 -162.319 PRESSAVG: 1237600 -59.6721 -36.9861 22.3331 -36.9862 -25.7595 78.5439 22.3331 78.5437 43.437 GPRESSAVG: 1237600 -58.1892 -39.565 22.9694 -34.393 -25.7279 78.7828 23.9316 79.844 42.3506 TIMING: 1237600 CPU: 3587.17, 0.0029113/step Wall: 3587.17, 0.0029113/step, 3.04263 hours remaining, 209.621094 MB of memory in use. ENERGY: 1237600 772.9090 2126.1142 1907.4626 118.6305 -205757.9314 17497.9528 0.0000 0.0000 34322.4555 -149012.4068 299.7465 -183334.8623 -148912.5069 299.9356 -90.5177 -58.5013 556610.3232 -13.9982 -13.8555 PRESSURE: 1237800 61.8055 50.1891 -131.758 50.1876 -270.172 -41.9745 -131.758 -41.9745 -123.897 GPRESSURE: 1237800 107.089 22.5939 -173.905 37.8163 -251.214 -38.4129 -152.966 -21.1443 -89.2183 PRESSAVG: 1237800 27.4826 -24.6579 -7.05474 -24.6579 -4.0755 11.9437 -7.05475 11.9436 24.7862 GPRESSAVG: 1237800 27.9682 -22.0212 -5.77855 -26.4473 -4.59566 14.5117 -8.936 11.4823 25.2182 TIMING: 1237800 CPU: 3587.75, 0.00289497/step Wall: 3587.75, 0.00289497/step, 3.0254 hours remaining, 209.621094 MB of memory in use. ENERGY: 1237800 748.4421 2075.9335 1915.6921 112.2733 -205752.5896 17692.1868 0.0000 0.0000 34290.4864 -148917.5753 299.4673 -183208.0617 -148815.5346 300.5724 -110.7547 -77.7809 560045.6766 16.0645 16.1969 PRESSURE: 1238000 -237.08 -2.77927 -55.4763 -2.78022 -288.643 -107.726 -55.4771 -107.726 -244.98 GPRESSURE: 1238000 -226.92 -15.2299 22.4773 -58.309 -235.357 -163.574 -65.1545 -35.7927 -223.294 PRESSAVG: 1238000 9.81288 -11.1062 39.7166 -11.1061 12.0559 27.7645 39.7167 27.7645 15.0749 GPRESSAVG: 1238000 8.53697 -12.081 38.5672 -10.4343 12.5249 24.4317 40.8596 28.4993 15.815 TIMING: 1238000 CPU: 3588.33, 0.00289395/step Wall: 3588.33, 0.00289395/step, 3.02418 hours remaining, 209.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1238000 775.3567 2078.7900 1954.8478 99.2397 -205764.2172 17611.0901 0.0000 0.0000 34348.9860 -148895.9070 299.9782 -183244.8930 -148793.0821 300.5143 -256.9008 -228.5238 558975.9154 12.3146 12.2923 PRESSURE: 1238200 28.3808 40.0722 -59.235 40.0716 148.147 -117.584 -59.2352 -117.584 65.0016 GPRESSURE: 1238200 109.863 39.0337 -25.7943 87.3443 124.734 -60.0283 -50.9107 -142.906 109.633 PRESSAVG: 1238200 38.2187 -81.2942 -42.3119 -81.2942 -60.2984 -7.56931 -42.3119 -7.56928 30.1823 GPRESSAVG: 1238200 39.0833 -80.1694 -41.0939 -81.461 -61.092 -7.0275 -42.7215 -7.07821 30.3155 TIMING: 1238200 CPU: 3588.91, 0.00288149/step Wall: 3588.91, 0.00288149/step, 3.011 hours remaining, 209.621094 MB of memory in use. ENERGY: 1238200 736.0842 2110.1371 1949.7409 118.7967 -205928.9468 17825.7615 0.0000 0.0000 34392.9667 -148795.4598 300.3623 -183188.4265 -148698.6316 300.3327 80.5097 114.7434 558759.7154 2.7009 2.7690 PRESSURE: 1238400 5.70382 -32.5196 1.3655 -32.521 32.2902 121.83 1.36623 121.83 429.39 GPRESSURE: 1238400 89.3605 -21.5277 -28.0993 -57.7177 61.5518 164.635 -7.53324 100.475 422.64 PRESSAVG: 1238400 32.7256 3.59096 -5.89751 3.59098 -91.3951 -29.5295 -5.89745 -29.5296 33.3457 GPRESSAVG: 1238400 32.9558 2.79402 -9.36886 3.80825 -90.0527 -26.9206 -7.29483 -30.0692 32.3956 TIMING: 1238400 CPU: 3589.48, 0.00288657/step Wall: 3589.48, 0.00288657/step, 3.01614 hours remaining, 209.621094 MB of memory in use. ENERGY: 1238400 752.0457 2081.6587 1937.2009 116.8122 -206432.9680 17986.7041 0.0000 0.0000 34579.2150 -148979.3314 301.9889 -183558.5464 -148887.7979 300.3118 155.7947 191.1843 557482.0450 -8.4413 -8.2338 PRESSURE: 1238600 298.756 -13.4007 -65.8931 -13.4 251.333 -34.3091 -65.8931 -34.3071 296.843 GPRESSURE: 1238600 332.63 -60.5553 -35.2614 86.811 288.131 7.60539 -8.99636 -79.5445 327.702 PRESSAVG: 1238600 -13.6902 -17.3024 13.8635 -17.3023 -24.4173 -3.76847 13.8636 -3.76835 -1.77997 GPRESSAVG: 1238600 -13.2722 -18.5938 16.9903 -15.0563 -25.3779 -4.8622 13.7777 -2.66098 -0.662841 TIMING: 1238600 CPU: 3590.06, 0.0028972/step Wall: 3590.06, 0.0028972/step, 3.02709 hours remaining, 209.621094 MB of memory in use. ENERGY: 1238600 706.8841 2064.5586 1920.1253 107.2774 -206765.3347 18456.7989 0.0000 0.0000 34490.4707 -149019.2197 301.2139 -183509.6904 -148917.6110 299.5564 282.3108 316.1545 557809.0522 -13.2958 -13.1043 PRESSURE: 1238800 -157.177 -47.3474 50.818 -47.3471 -31.5238 147.004 50.8176 147.002 266.632 GPRESSURE: 1238800 -132.724 -108.208 48.7599 5.11369 46.8539 113.141 36.2386 217.923 261.173 PRESSAVG: 1238800 -4.01254 -32.0386 14.1057 -32.0385 6.40804 -5.80165 14.1057 -5.80151 -30.7662 GPRESSAVG: 1238800 -3.7074 -31.6837 11.3555 -33.9505 7.1273 -5.23551 15.7455 -7.05468 -31.9444 TIMING: 1238800 CPU: 3590.65, 0.00291367/step Wall: 3590.65, 0.00291367/step, 3.04414 hours remaining, 209.621094 MB of memory in use. ENERGY: 1238800 775.1433 2055.8916 1911.0883 107.6157 -206102.2714 17991.9584 0.0000 0.0000 34099.5195 -149161.0547 297.7996 -183260.5742 -149068.7255 298.9968 25.9771 58.4343 558128.4731 -9.4569 -9.5082 PRESSURE: 1239000 -128.982 -39.347 -117.43 -39.3461 170.051 88.6654 -117.431 88.6665 416.532 GPRESSURE: 1239000 -68.3316 -36.1718 -107.093 -66.6291 173.914 45.752 -46.0856 131.546 458.866 PRESSAVG: 1239000 -63.0042 40.4872 8.10071 40.4872 57.1393 32.3556 8.1007 32.3556 35.8582 GPRESSAVG: 1239000 -63.6494 41.0244 11.0681 38.0985 57.6078 32.1089 6.83071 33.0807 36.1843 TIMING: 1239000 CPU: 3591.23, 0.00292857/step Wall: 3591.23, 0.00292857/step, 3.05954 hours remaining, 209.621094 MB of memory in use. ENERGY: 1239000 734.7472 2069.1185 1922.6130 111.3194 -206288.0064 17927.9318 0.0000 0.0000 34312.3096 -149209.9669 299.6579 -183522.2765 -149112.8818 299.0896 152.5337 188.1494 555579.8882 9.9978 10.0476 PRESSURE: 1239200 -314.299 -97.6587 -69.9418 -97.6577 10.1515 71.9767 -69.9415 71.9765 -104.535 GPRESSURE: 1239200 -291.939 -105.985 -169.633 -135.043 25.4187 55.9086 -13.6894 149.207 -51.2829 PRESSAVG: 1239200 -18.4205 4.90814 -33.3995 4.90812 21.1569 63.9065 -33.3995 63.9065 42.064 GPRESSAVG: 1239200 -17.0499 6.81891 -34.3234 6.19435 20.9196 63.3253 -33.6677 62.9178 41.2417 TIMING: 1239200 CPU: 3591.81, 0.00290933/step Wall: 3591.81, 0.00290933/step, 3.03928 hours remaining, 209.621094 MB of memory in use. ENERGY: 1239200 786.1531 2104.5046 1945.6807 112.0420 -206082.2604 17535.5904 0.0000 0.0000 34409.2948 -149188.9948 300.5049 -183598.2897 -149089.0915 299.0427 -136.2275 -105.9345 555823.7021 14.9335 15.0371 PRESSURE: 1239400 -250.541 206.175 20.5695 206.175 -86.0506 -75.8974 20.5698 -75.8971 -168.245 GPRESSURE: 1239400 -180.181 169.417 -37.6256 168.765 -82.4068 -134.773 6.94314 -88.1564 -142.92 PRESSAVG: 1239400 -56.5559 -4.81405 -22.0702 -4.81403 -0.930364 -15.0731 -22.0701 -15.0731 57.9888 GPRESSAVG: 1239400 -57.0874 -4.90158 -22.6066 -4.63818 -1.37374 -13.3255 -22.341 -16.0288 58.9073 TIMING: 1239400 CPU: 3592.4, 0.00293926/step Wall: 3592.4, 0.00293926/step, 3.07039 hours remaining, 209.621094 MB of memory in use. ENERGY: 1239400 757.5330 2118.4746 1956.5271 104.2256 -205781.7753 17529.2727 0.0000 0.0000 34198.6672 -149117.0750 298.6655 -183315.7422 -149015.5871 299.3364 -168.2789 -135.1694 557095.2780 0.1675 0.1487 PRESSURE: 1239600 -126.662 87.7662 59.6661 87.7667 -69.8589 99.6666 59.6664 99.667 6.02123 GPRESSURE: 1239600 -75.355 62.6175 1.99034 65.653 26.6748 159.311 63.6221 73.5834 -40.2421 PRESSAVG: 1239600 -2.44268 17.7037 -34.1512 17.7037 -3.35475 -40.1524 -34.1511 -40.1522 -0.0536221 GPRESSAVG: 1239600 -3.35279 13.5739 -33.9511 16.7101 -1.64598 -40.9163 -34.4455 -40.5547 -0.902242 TIMING: 1239600 CPU: 3592.99, 0.00292959/step Wall: 3592.99, 0.00292959/step, 3.06012 hours remaining, 209.621094 MB of memory in use. ENERGY: 1239600 757.6226 2102.6562 1926.4535 122.2741 -206281.1660 17842.5492 0.0000 0.0000 34115.1297 -149414.4806 297.9359 -183529.6103 -149318.0916 299.2541 -63.4999 -29.6408 555990.8407 -1.9504 -1.9670 PRESSURE: 1239800 153.172 -234.787 279.289 -234.787 -15.7132 31.893 279.288 31.8925 102.328 GPRESSURE: 1239800 166.918 -235.48 256.468 -202.058 -9.2382 30.5335 300.015 8.11796 179.894 PRESSAVG: 1239800 64.8028 -24.4142 -43.8409 -24.4142 -13.617 26.1363 -43.8409 26.1363 -43.3709 GPRESSAVG: 1239800 65.0009 -21.7584 -43.301 -22.2345 -14.4286 24.5833 -44.2808 29.0623 -43.1985 TIMING: 1239800 CPU: 3593.57, 0.00291634/step Wall: 3593.57, 0.00291634/step, 3.04612 hours remaining, 209.621094 MB of memory in use. ENERGY: 1239800 733.4752 2105.2029 1949.0706 115.0296 -206664.3645 18195.3895 0.0000 0.0000 34111.6492 -149454.5474 297.9055 -183566.1966 -149359.0270 299.1367 79.9289 112.5248 556902.9379 2.6050 2.4579 PRESSURE: 1240000 -15.6672 -26.1563 32.1873 -26.1582 -387.056 -82.5076 32.1875 -82.5084 126.351 GPRESSURE: 1240000 -41.1102 -19.5416 44.3807 -25.8218 -290.344 -32.7975 25.6651 -135.899 165.025 PRESSAVG: 1240000 3.44032 28.142 1.46925 28.1421 -62.9923 41.4813 1.46923 41.4814 44.2063 GPRESSAVG: 1240000 2.72669 28.9311 0.485131 26.7997 -63.0981 42.4252 3.83942 39.1627 44.5353 TIMING: 1240000 CPU: 3594.15, 0.00291667/step Wall: 3594.15, 0.00291667/step, 3.0463 hours remaining, 209.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1240000 750.4380 2073.1643 1934.1658 105.1384 -206086.4711 17602.7788 0.0000 0.0000 34235.7645 -149385.0213 298.9894 -183620.7858 -149293.2901 299.1312 -92.1241 -55.4766 556936.2152 -5.1152 -5.2787 PRESSURE: 1240200 75.5409 -28.1516 -18.4831 -28.1511 129.031 -85.7104 -18.4825 -85.7078 -34.3338 GPRESSURE: 1240200 90.3295 -56.9203 -20.2064 14.5382 136.555 -17.9166 -29.671 -199.672 34.2588 PRESSAVG: 1240200 -54.7514 48.8816 24.2788 48.8816 30.2964 -13.2179 24.2788 -13.2179 28.8828 GPRESSAVG: 1240200 -53.3233 48.045 25.967 47.7958 30.3259 -13.9772 23.5965 -10.586 27.5907 TIMING: 1240200 CPU: 3594.73, 0.0028832/step Wall: 3594.73, 0.0028832/step, 3.01118 hours remaining, 209.621094 MB of memory in use. ENERGY: 1240200 695.7276 2107.1788 1935.8764 109.3460 -206124.6687 17853.0244 0.0000 0.0000 34063.5469 -149359.9684 297.4854 -183423.5153 -149260.6147 298.2565 56.7460 87.0478 558096.6689 1.4759 1.5311 LDB: ============= START OF LOAD BALANCING ============== 3598.12 LDB: ============== END OF LOAD BALANCING =============== 3598.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3598.12 LDB: ============= START OF LOAD BALANCING ============== 3598.41 LDB: Largest compute 4822 load 0.023717 is 20.1% of average load 0.117988 LDB: Average compute 0.001708 is 1.4% of average load 0.117988 LDB: TIME 3598.41 LOAD: AVG 0.117988 MAX 0.183884 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.738 MB LDB: TIME 3598.41 LOAD: AVG 0.117988 MAX 0.183884 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.941 MB LDB: TIME 3598.41 LOAD: AVG 0.117988 MAX 0.183884 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.941 MB LDB: ============== END OF LOAD BALANCING =============== 3598.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3598.42 PRESSURE: 1240400 -9.31157 -84.6101 4.76551 -84.6096 -41.5501 -72.2203 4.7662 -72.2209 -145.696 GPRESSURE: 1240400 14.9839 -86.7435 -46.3656 -87.8697 -25.563 -86.8822 106.524 -27.2687 -73.6036 PRESSAVG: 1240400 -11.757 -59.8449 -0.603492 -59.8448 -15.7651 -57.2129 -0.603513 -57.2131 -8.22484 GPRESSAVG: 1240400 -13.2773 -59.0188 -1.02398 -61.3227 -15.9902 -57.7209 0.276027 -58.6225 -6.43503 TIMING: 1240400 CPU: 3595.32, 0.00294695/step Wall: 3595.32, 0.00294695/step, 3.0776 hours remaining, 208.320312 MB of memory in use. ENERGY: 1240400 770.5917 2120.9833 1934.8074 128.6633 -206333.6673 17812.7016 0.0000 0.0000 34161.5882 -149404.3318 298.3416 -183565.9200 -149304.7877 298.5857 -65.5192 -28.0609 557505.3659 -11.9156 -11.9008 PRESSURE: 1240600 190.526 54.6696 -17.073 54.6688 -66.2194 180.436 -17.0731 180.436 12.6001 GPRESSURE: 1240600 189.347 104.31 -33.6448 32.8097 -9.83356 138.267 4.168 172.598 34.0494 PRESSAVG: 1240600 51.1529 8.02344 -20.7665 8.02343 23.8765 -23.445 -20.7665 -23.445 -34.1266 GPRESSAVG: 1240600 52.1717 6.21449 -21.8242 12.9501 23.9728 -24.1925 -20.1324 -24.1768 -35.3529 TIMING: 1240600 CPU: 3595.9, 0.00289901/step Wall: 3595.9, 0.00289901/step, 3.02738 hours remaining, 208.460938 MB of memory in use. ENERGY: 1240600 762.0201 2111.9128 1903.1321 114.9479 -206640.7656 18027.6296 0.0000 0.0000 34320.5500 -149400.5731 299.7299 -183721.1231 -149300.0984 298.2126 45.6355 71.1877 557820.3419 13.6343 13.5972 PRESSURE: 1240800 -160.324 -130.956 69.5425 -130.955 -203.245 -120.95 69.5413 -120.951 -47.0911 GPRESSURE: 1240800 -180.172 -55.7839 24.2209 -119.681 -154.168 -38.8791 24.2288 -136.909 13.5384 PRESSAVG: 1240800 26.674 -18.5757 18.5631 -18.5757 9.73539 58.9942 18.5631 58.9941 -1.83442 GPRESSAVG: 1240800 26.7897 -18.1147 20.0593 -21.098 9.65249 60.5608 18.044 58.0291 -1.63262 TIMING: 1240800 CPU: 3596.48, 0.00290642/step Wall: 3596.48, 0.00290642/step, 3.03495 hours remaining, 208.460938 MB of memory in use. ENERGY: 1240800 748.6048 2122.3461 1931.7971 111.3247 -206649.8947 17867.7976 0.0000 0.0000 34563.8183 -149304.2060 301.8544 -183868.0244 -149202.3836 299.2052 -136.8866 -106.9338 558436.1079 11.5250 11.6032 PRESSURE: 1241000 54.3269 41.145 119.779 41.1439 -87.6192 15.7865 119.779 15.7842 -37.9001 GPRESSURE: 1241000 51.8838 19.2365 145.163 100.362 -45.6937 108.195 117.507 -50.5936 15.2633 PRESSAVG: 1241000 44.8528 37.6104 -66.0454 37.6103 10.1198 -1.63554 -66.0454 -1.63544 -1.75787 GPRESSAVG: 1241000 44.0547 40.2925 -66.1307 35.5111 10.7772 -1.65447 -65.3706 0.564016 -0.920929 TIMING: 1241000 CPU: 3597.06, 0.00291099/step Wall: 3597.06, 0.00291099/step, 3.03955 hours remaining, 208.460938 MB of memory in use. ENERGY: 1241000 784.6657 2021.8132 1909.0248 103.5525 -206430.2300 18030.4047 0.0000 0.0000 34292.5890 -149288.1800 299.4857 -183580.7690 -149194.5555 298.7710 -23.7308 7.1512 559245.8946 17.7383 17.9704 PRESSURE: 1241200 31.9861 81.863 -15.5832 81.8629 -191.632 68.0272 -15.5826 68.0255 -86.3124 GPRESSURE: 1241200 93.1022 86.5886 77.7838 127.848 -218.285 51.9916 -39.9586 84.17 -27.9555 PRESSAVG: 1241200 14.5608 49.3408 -8.3697 49.3407 -48.6971 -24.0207 -8.36965 -24.0207 48.7137 GPRESSAVG: 1241200 15.6766 48.1275 -7.22044 52.0275 -49.8309 -22.7689 -10.2294 -25.0923 48.6606 TIMING: 1241200 CPU: 3597.65, 0.00291401/step Wall: 3597.65, 0.00291401/step, 3.04255 hours remaining, 208.460938 MB of memory in use. ENERGY: 1241200 761.1550 2077.2649 1919.1266 109.7337 -206305.3693 17739.9258 0.0000 0.0000 34445.3529 -149252.8104 300.8198 -183698.1633 -149156.4974 299.5579 -81.9862 -51.0460 558325.6929 4.8591 4.8354 PRESSURE: 1241400 -186.434 91.4931 246.447 91.4931 -92.1413 87.2212 246.448 87.2202 -255.968 GPRESSURE: 1241400 -150.18 158.117 247.223 45.4528 -134.455 79.0286 239.793 47.9574 -139.643 PRESSAVG: 1241400 79.6814 -45.3431 38.5765 -45.3431 -80.4078 8.32659 38.5765 8.32667 -1.50805 GPRESSAVG: 1241400 79.3199 -45.0282 38.9748 -46.2741 -79.6094 5.71441 36.4106 7.60955 -1.49974 TIMING: 1241400 CPU: 3598.23, 0.00290094/step Wall: 3598.23, 0.00290094/step, 3.02875 hours remaining, 208.460938 MB of memory in use. ENERGY: 1241400 763.2884 2096.2915 1912.7479 109.2695 -206189.6064 17598.2940 0.0000 0.0000 34192.1786 -149517.5364 298.6088 -183709.7151 -149420.0272 298.3904 -178.1810 -141.4259 556818.5894 -0.7448 -0.5964 PRESSURE: 1241600 50.0073 -109.051 19.8355 -109.052 32.1247 -144.867 19.8353 -144.868 42.9197 GPRESSURE: 1241600 99.0009 -54.7115 38.5755 -90.0239 21.6483 -117.117 17.6341 -180.58 110.576 PRESSAVG: 1241600 -48.2275 -13.1808 12.6077 -13.1808 69.3245 22.1504 12.6076 22.1504 -39.825 GPRESSAVG: 1241600 -48.1758 -13.6526 11.2034 -12.8272 69.794 23.6586 16.0518 22.0795 -39.4197 TIMING: 1241600 CPU: 3598.81, 0.0029113/step Wall: 3598.81, 0.0029113/step, 3.0394 hours remaining, 208.460938 MB of memory in use. ENERGY: 1241600 771.1178 2078.8520 1912.0512 100.7486 -206608.0316 17962.7838 0.0000 0.0000 34330.9207 -149451.5574 299.8205 -183782.4782 -149356.5855 298.4197 41.6839 77.0751 557945.6778 -6.2427 -5.9339 PRESSURE: 1241800 -53.5668 56.0038 53.1219 56.0032 -402.472 97.345 53.1219 97.346 -537.499 GPRESSURE: 1241800 -48.4996 64.9255 13.2791 138.434 -353.75 11.5303 84.3182 197.328 -495.867 PRESSAVG: 1241800 16.4117 79.4473 -8.85975 79.4473 21.9201 39.4423 -8.85975 39.4423 -4.91195 GPRESSAVG: 1241800 17.1451 78.8463 -9.26828 81.4235 21.1218 38.9956 -9.71639 40.8775 -4.14105 TIMING: 1241800 CPU: 3599.39, 0.00288649/step Wall: 3599.39, 0.00288649/step, 3.01333 hours remaining, 208.460938 MB of memory in use. ENERGY: 1241800 765.3025 2077.1844 1910.6544 118.6928 -205934.2557 17443.4392 0.0000 0.0000 34071.3917 -149547.5907 297.5539 -183618.9824 -149459.0381 298.6458 -331.1793 -299.3720 557502.1266 11.1400 11.3753 PRESSURE: 1242000 61.992 232.465 75.1971 232.465 -96.4219 59.4685 75.1962 59.4664 -218.159 GPRESSURE: 1242000 145.793 239.601 105.832 212.393 -115.186 -32.7883 91.4752 7.06323 -185.298 PRESSAVG: 1242000 -24.6966 -17.1842 -13.2618 -17.1842 80.6877 20.0064 -13.2618 20.0063 -1.97559 GPRESSAVG: 1242000 -24.4967 -17.8432 -14.6538 -18.3532 80.9965 19.5117 -12.2967 18.4493 -2.15243 TIMING: 1242000 CPU: 3599.96, 0.00287927/step Wall: 3599.96, 0.00287927/step, 3.00563 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1242000 738.2326 2011.1998 1925.8802 104.4909 -205924.5357 17647.5841 0.0000 0.0000 34024.5537 -149472.5945 297.1449 -183497.1482 -149376.7774 297.8347 -84.1963 -51.5636 558003.5122 18.0052 18.1158 PRESSURE: 1242200 204.605 -29.3828 -190.788 -29.3834 -193.476 125.916 -190.788 125.916 59.7936 GPRESSURE: 1242200 213.862 -34.3128 -243.87 -38.3686 -191.432 84.2435 -108.521 125.069 140.147 PRESSAVG: 1242200 36.1909 18.2076 -3.12404 18.2077 -35.6171 -24.4197 -3.12405 -24.4198 -1.32777 GPRESSAVG: 1242200 35.6369 18.469 -1.56239 18.9031 -36.0119 -23.1549 -5.21671 -22.0807 -0.546633 TIMING: 1242200 CPU: 3600.54, 0.00287885/step Wall: 3600.54, 0.00287885/step, 3.00504 hours remaining, 208.460938 MB of memory in use. ENERGY: 1242200 722.1986 2043.7879 1915.0371 100.1335 -206398.9741 17864.3963 0.0000 0.0000 34279.4837 -149473.9371 299.3713 -183753.4208 -149375.6359 298.4219 23.6409 54.1926 557036.4659 -0.2513 -0.3072 PRESSURE: 1242400 -160.916 16.4398 -259.736 16.4402 -401.385 52.6243 -259.735 52.6253 -201.726 GPRESSURE: 1242400 -147.685 -26.5131 -257.242 47.4222 -356.343 8.64196 -257.659 -1.22905 -178.005 PRESSAVG: 1242400 -0.952274 -15.662 -18.8682 -15.662 -5.14048 17.4445 -18.8681 17.4445 31.7914 GPRESSAVG: 1242400 -0.836583 -11.8054 -17.9404 -17.9076 -5.31693 17.5921 -18.2962 16.3151 31.2397 TIMING: 1242400 CPU: 3601.12, 0.00290387/step Wall: 3601.12, 0.00290387/step, 3.031 hours remaining, 208.460938 MB of memory in use. ENERGY: 1242400 731.8418 2099.0700 1929.1920 116.4934 -205932.7248 17394.4049 0.0000 0.0000 34015.7928 -149645.9299 297.0684 -183661.7226 -149552.2386 297.8129 -254.6757 -227.3442 558139.8314 8.5662 8.3621 PRESSURE: 1242600 26.8422 -40.055 -47.8974 -40.0543 118.938 -84.4985 -47.8982 -84.4986 159.837 GPRESSURE: 1242600 53.0477 -40.0516 0.789863 -33.2476 127.714 -67.8377 -29.7833 -52.3607 229.83 PRESSAVG: 1242600 46.9778 23.4335 -16.9496 23.4334 34.8377 4.50669 -16.9496 4.50665 -69.3908 GPRESSAVG: 1242600 47.2873 20.6861 -17.4871 24.996 33.7445 3.48138 -16.6487 4.43721 -68.4291 TIMING: 1242600 CPU: 3601.7, 0.00290818/step Wall: 3601.7, 0.00290818/step, 3.03534 hours remaining, 208.460938 MB of memory in use. ENERGY: 1242600 737.9959 2079.1052 1943.2344 118.9084 -206786.5063 18198.6487 0.0000 0.0000 33957.4459 -149751.1678 296.5588 -183708.6137 -149662.5231 297.9435 101.8722 136.8638 557347.6144 4.1416 4.2009 PRESSURE: 1242800 334.78 -5.04515 -50.3685 -5.04586 -64.2429 28.6074 -50.3668 28.6082 -42.5863 GPRESSURE: 1242800 348.174 -42.4623 -90.1743 5.23354 -34.257 105.022 -43.8653 -40.2061 10.8713 PRESSAVG: 1242800 85.4048 -5.01121 -24.0743 -5.0112 -80.5102 16.9067 -24.0744 16.9068 -20.9292 GPRESSAVG: 1242800 84.1124 -5.05699 -24.929 -4.27054 -78.6362 17.0496 -24.1911 17.5987 -21.7482 TIMING: 1242800 CPU: 3602.28, 0.0029145/step Wall: 3602.28, 0.0029145/step, 3.04177 hours remaining, 208.460938 MB of memory in use. ENERGY: 1242800 759.9577 2065.4735 1924.0788 112.3138 -206976.8797 18219.3276 0.0000 0.0000 34256.7751 -149638.9533 299.1729 -183895.7284 -149548.1106 298.1234 75.9834 108.2629 557785.9604 -5.3449 -5.4240 PRESSURE: 1243000 -199.831 48.0543 -85.7554 48.0549 -327.13 68.2151 -85.7566 68.2154 -203.468 GPRESSURE: 1243000 -225.985 13.2274 -73.0035 -1.86849 -216.546 111.975 -35.7279 10.2265 -198.093 PRESSAVG: 1243000 -6.74522 -20.1559 -14.9531 -20.1558 4.41675 -3.23464 -14.9531 -3.23454 -17.1877 GPRESSAVG: 1243000 -5.45756 -19.4819 -13.569 -19.1217 3.73526 -2.66088 -14.6529 -4.82425 -18.0977 TIMING: 1243000 CPU: 3602.86, 0.0029043/step Wall: 3602.86, 0.0029043/step, 3.03096 hours remaining, 208.460938 MB of memory in use. ENERGY: 1243000 727.8902 2039.8947 1933.6203 116.0198 -206135.8025 17573.0555 0.0000 0.0000 34110.3789 -149634.9430 297.8944 -183745.3219 -149532.9297 297.8608 -243.4765 -213.5415 559670.3293 -6.5054 -6.6067 PRESSURE: 1243200 181.615 -11.2285 81.2753 -11.2291 265.34 -30.2171 81.2757 -30.2177 265.428 GPRESSURE: 1243200 241.615 41.8952 51.2532 -37.7249 316.991 -38.6147 82.2965 -30.1184 248.047 PRESSAVG: 1243200 47.7415 -19.7472 16.3 -19.7472 -53.7945 24.0632 16.3 24.0632 -3.23364 GPRESSAVG: 1243200 47.3142 -19.0279 16.8302 -22.0829 -53.6279 26.21 16.2375 25.2083 -3.53702 TIMING: 1243200 CPU: 3603.45, 0.00293502/step Wall: 3603.45, 0.00293502/step, 3.06286 hours remaining, 208.460938 MB of memory in use. ENERGY: 1243200 731.5097 2097.8451 1915.3755 102.6821 -206931.2695 18359.6680 0.0000 0.0000 34302.4753 -149421.7139 299.5720 -183724.1892 -149326.2274 298.5616 237.4607 268.8844 557542.8038 -3.0956 -3.2836 PRESSURE: 1243400 -326.346 -84.4145 -106.924 -84.4146 -74.075 -26.2377 -106.925 -26.237 -127.959 GPRESSURE: 1243400 -278.143 -3.03192 -115.85 -207.509 -43.2262 25.7233 -87.3858 -7.85745 -106.43 PRESSAVG: 1243400 -29.0278 -19.7839 6.99934 -19.7838 -61.7405 -1.24634 6.99924 -1.24635 70.5894 GPRESSAVG: 1243400 -29.0377 -20.0734 6.4114 -20.2531 -61.4644 -1.98262 6.86127 -3.16475 70.8843 TIMING: 1243400 CPU: 3604.03, 0.00291917/step Wall: 3604.03, 0.00291917/step, 3.04616 hours remaining, 208.460938 MB of memory in use. ENERGY: 1243400 750.7992 2080.5629 1921.8768 100.3690 -205915.9891 17492.1574 0.0000 0.0000 34123.6723 -149446.5514 298.0105 -183570.2237 -149346.6978 298.5357 -176.1267 -142.5999 558103.9218 -6.7263 -6.5392 PRESSURE: 1243600 121.4 129.315 136.717 129.316 199 47.5486 136.717 47.5493 335.078 GPRESSURE: 1243600 217.398 149.116 209.749 140.39 224.04 59.6742 50.8135 -0.738151 300.063 PRESSAVG: 1243600 -11.6907 -35.5513 21.5178 -35.5513 19.5914 35.4923 21.5178 35.4922 47.5311 GPRESSAVG: 1243600 -11.756 -37.0148 20.7917 -32.4619 18.5379 32.95 19.523 35.8938 48.2319 TIMING: 1243600 CPU: 3604.62, 0.00291404/step Wall: 3604.62, 0.00291404/step, 3.04064 hours remaining, 208.460938 MB of memory in use. ENERGY: 1243600 761.7967 2120.0409 1952.5143 110.3032 -206788.3744 18356.8909 0.0000 0.0000 34280.8254 -149206.0030 299.3830 -183486.8283 -149108.3388 298.8616 218.4928 247.1672 557124.6398 18.4773 18.3379 PRESSURE: 1243800 29.5682 82.2405 92.8935 82.2402 84.5414 63.2504 92.8923 63.2518 -39.0268 GPRESSURE: 1243800 164.257 25.3582 18.4128 132.892 68.3266 -11.8888 8.75183 134.95 -46.0622 PRESSAVG: 1243800 -14.6444 -8.13373 4.95927 -8.13377 15.6555 38.0156 4.95931 38.0157 -25.214 GPRESSAVG: 1243800 -14.0518 -8.58952 4.28093 -7.1953 17.0715 37.9856 6.67609 39.8414 -26.6876 TIMING: 1243800 CPU: 3605.2, 0.00289618/step Wall: 3605.2, 0.00289618/step, 3.02184 hours remaining, 208.460938 MB of memory in use. ENERGY: 1243800 799.9464 2107.0487 1927.2450 104.1826 -206209.8836 17941.1717 0.0000 0.0000 34037.9669 -149292.3223 297.2620 -183330.2892 -149195.2998 299.3333 25.0276 62.1740 557218.9963 -8.0676 -7.8893 PRESSURE: 1244000 -112.148 -24.9019 100.402 -24.9026 -79.2998 173.712 100.401 173.711 33.6292 GPRESSURE: 1244000 -42.6746 -55.6289 120.961 27.8046 -72.7028 82.2267 94.6369 166.027 66.1429 PRESSAVG: 1244000 1.02731 29.0052 -16.1781 29.0051 7.90009 78.1089 -16.1781 78.1089 -6.00817 GPRESSAVG: 1244000 0.503263 31.7254 -14.8017 27.1427 7.82113 80.1553 -16.0751 75.1506 -5.61048 TIMING: 1244000 CPU: 3605.77, 0.00288661/step Wall: 3605.77, 0.00288661/step, 3.0117 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1244000 746.4638 2144.7787 1918.3544 119.3156 -205970.4706 17558.1583 0.0000 0.0000 34318.5088 -149164.8909 299.7121 -183483.3997 -149071.0350 299.7370 -52.6061 -16.4115 558093.7658 0.9731 0.9046 PRESSURE: 1244200 75.9831 -121.847 -24.2985 -121.848 -134.636 31.7543 -24.2983 31.7537 -98.4023 GPRESSURE: 1244200 172.782 -114.625 -48.3669 -108.199 -169.147 80.5626 -28.0036 -71.4556 -67.4991 PRESSAVG: 1244200 86.1617 -41.7864 -47.182 -41.7865 -1.85832 44.4332 -47.1821 44.4332 -69.431 GPRESSAVG: 1244200 86.451 -41.9913 -47.2972 -40.7561 -1.59294 44.7369 -47.4039 46.856 -69.5937 TIMING: 1244200 CPU: 3606.35, 0.00288845/step Wall: 3606.35, 0.00288845/step, 3.01346 hours remaining, 208.460938 MB of memory in use. ENERGY: 1244200 728.7185 2091.6020 1945.7305 115.1346 -206237.9656 17839.7760 0.0000 0.0000 34435.6651 -149081.3389 300.7352 -183517.0040 -148979.8232 299.3867 -52.3516 -21.2880 558447.9310 4.9575 5.0881 LDB: ============= START OF LOAD BALANCING ============== 3609.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3609.74 LDB: =============== DONE WITH MIGRATION ================ 3609.74 LDB: ============= START OF LOAD BALANCING ============== 3610.03 LDB: Largest compute 4822 load 0.024354 is 20.7% of average load 0.117925 LDB: Average compute 0.001701 is 1.4% of average load 0.117925 LDB: TIME 3610.03 LOAD: AVG 0.117925 MAX 0.183258 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.699 MB LDB: TIME 3610.03 LOAD: AVG 0.117925 MAX 0.183258 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: TIME 3610.03 LOAD: AVG 0.117925 MAX 0.183258 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3610.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3610.04 PRESSURE: 1244400 95.7646 -78.2751 -85.4141 -78.2759 130.146 191.831 -85.4135 191.829 177.33 GPRESSURE: 1244400 118.972 -120.811 -142.392 -84.5264 144.449 170.358 -12.2428 250.963 243.653 PRESSAVG: 1244400 47.7154 4.79033 -13.1834 4.79041 4.3427 33.3824 -13.1834 33.3825 -41.8448 GPRESSAVG: 1244400 47.6266 3.85618 -14.4883 2.63724 3.64986 31.0608 -13.4613 34.5951 -40.6548 TIMING: 1244400 CPU: 3606.94, 0.00295134/step Wall: 3606.94, 0.00295134/step, 3.07891 hours remaining, 208.304688 MB of memory in use. ENERGY: 1244400 702.3991 2115.9086 1950.3677 106.7572 -206485.1837 18123.5193 0.0000 0.0000 34407.1539 -149079.0780 300.4862 -183486.2319 -148981.6991 298.7623 134.4135 169.0248 559271.8497 3.4044 3.5405 PRESSURE: 1244600 262.626 -185.556 48.1888 -185.555 12.5914 -63.8264 48.1889 -63.8267 -17.1082 GPRESSURE: 1244600 261.368 -112.439 108.223 -234.933 40.5343 -51.4471 42.658 -91.0617 41.1387 PRESSAVG: 1244600 71.5014 -18.4195 -34.8583 -18.4194 -96.1381 37.6129 -34.8583 37.613 -11.3448 GPRESSAVG: 1244600 72.2064 -17.2788 -35.7124 -16.8774 -96.9052 38.4466 -34.1779 36.2026 -11.3456 TIMING: 1244600 CPU: 3607.52, 0.00290665/step Wall: 3607.52, 0.00290665/step, 3.03212 hours remaining, 208.507812 MB of memory in use. ENERGY: 1244600 726.9558 2105.5650 1927.6642 111.2927 -206233.0913 17979.6828 0.0000 0.0000 34353.2252 -149028.7056 300.0153 -183381.9308 -148927.4934 299.4631 86.0364 114.3470 559018.6761 -11.9939 -12.0148 PRESSURE: 1244800 -200.722 -127.759 -42.7113 -127.759 -179.794 -89.3355 -42.7116 -89.3355 158.685 GPRESSURE: 1244800 -161.906 -98.0312 -31.947 -208.608 -167.797 -40.9964 -43.7564 -100.666 206.059 PRESSAVG: 1244800 93.5543 4.06913 -39.703 4.0691 -72.6708 -31.181 -39.703 -31.1809 -23.9081 GPRESSAVG: 1244800 94.3204 4.1637 -39.0251 3.92502 -72.3405 -29.4866 -39.2261 -30.6808 -24.5898 TIMING: 1244800 CPU: 3608.1, 0.00289088/step Wall: 3608.1, 0.00289088/step, 3.01551 hours remaining, 208.507812 MB of memory in use. ENERGY: 1244800 745.7024 2076.9178 1920.6677 110.5017 -206025.1029 17873.9027 0.0000 0.0000 34296.2665 -149001.1441 299.5178 -183297.4105 -148904.8024 299.6342 -73.9435 -41.2146 558489.9974 -1.0082 -0.8700 PRESSURE: 1245000 -234.854 17.2225 -69.1931 17.2226 -160.213 -57.3546 -69.1937 -57.3536 -146.49 GPRESSURE: 1245000 -254.747 -10.5875 -97.7958 22.4581 -130.167 -44.8422 -96.7329 -101.613 -59.4554 PRESSAVG: 1245000 78.9639 -19.219 -23.6903 -19.219 -42.1179 -24.0286 -23.6903 -24.0286 -6.95956 GPRESSAVG: 1245000 78.4103 -17.9469 -22.3552 -20.0734 -41.6184 -25.4996 -23.3545 -23.1397 -6.67871 TIMING: 1245000 CPU: 3608.68, 0.00289892/step Wall: 3608.68, 0.00289892/step, 3.02373 hours remaining, 208.507812 MB of memory in use. ENERGY: 1245000 775.5285 2095.9646 1911.6482 127.8070 -205924.8532 17667.6862 0.0000 0.0000 34186.9240 -149159.2947 298.5629 -183346.2186 -149068.1406 299.4875 -180.5188 -148.1234 559272.2940 9.9621 10.0377 PRESSURE: 1245200 90.0851 45.5724 -25.3829 45.572 -287.643 -56.3362 -25.3831 -56.3342 -35.8912 GPRESSURE: 1245200 146.695 89.1466 58.5681 9.83741 -209.373 -30.2032 -94.5948 -13.6665 -71.9527 PRESSAVG: 1245200 57.2269 11.3854 -57.9904 11.3852 -79.6652 -17.2735 -57.9905 -17.2733 11.0795 GPRESSAVG: 1245200 55.442 12.7464 -59.4048 10.7295 -78.096 -16.3251 -57.9509 -17.5091 10.7778 TIMING: 1245200 CPU: 3609.26, 0.00287561/step Wall: 3609.26, 0.00287561/step, 2.99926 hours remaining, 208.507812 MB of memory in use. ENERGY: 1245200 757.2146 2085.3875 1925.9197 118.3498 -206157.9739 17878.2918 0.0000 0.0000 34320.6169 -149072.1936 299.7305 -183392.8105 -148973.0814 300.1061 -77.8165 -44.8770 560145.4401 -3.7863 -3.9587 PRESSURE: 1245400 -141.003 44.6021 12.0481 44.6026 -185.35 -28.2968 12.0476 -28.2971 -161.957 GPRESSURE: 1245400 -150.771 -30.8368 9.08869 78.0404 -126.22 -30.1587 5.64985 -24.6316 -105.621 PRESSAVG: 1245400 -4.56812 43.0404 13.2029 43.0403 -7.92063 -41.6282 13.2029 -41.6282 4.77507 GPRESSAVG: 1245400 -3.68939 39.92 15.2436 43.0719 -9.13669 -43.5007 12.5733 -40.791 4.96373 TIMING: 1245400 CPU: 3609.83, 0.00287805/step Wall: 3609.83, 0.00287805/step, 3.00165 hours remaining, 208.507812 MB of memory in use. ENERGY: 1245400 782.6423 2081.1920 1932.7964 117.4983 -206298.7028 17854.3431 0.0000 0.0000 34537.3132 -148992.9176 301.6229 -183530.2308 -148902.1992 300.5042 -162.7701 -127.5374 558506.8215 -2.5712 -2.6208 PRESSURE: 1245600 60.2906 -16.0418 16.8823 -16.0417 -98.281 -75.0935 16.8824 -75.0928 -132.8 GPRESSURE: 1245600 73.234 12.9693 -9.1893 -30.2415 -40.242 -80.7878 65.3977 -15.9418 -92.917 PRESSAVG: 1245600 -33.2857 -42.9837 -32.8328 -42.9836 32.2815 -54.4502 -32.8326 -54.4502 -5.95564 GPRESSAVG: 1245600 -33.8749 -42.0853 -35.3024 -42.961 32.3912 -53.7564 -31.9598 -54.5794 -6.11846 TIMING: 1245600 CPU: 3610.41, 0.00288546/step Wall: 3610.41, 0.00288546/step, 3.00921 hours remaining, 208.507812 MB of memory in use. ENERGY: 1245600 767.1572 2068.3279 1940.6821 115.1808 -206179.0808 17953.2430 0.0000 0.0000 34329.5449 -149004.9449 299.8085 -183334.4897 -148904.2932 300.2442 -56.9302 -19.9750 558553.4328 -2.3199 -2.5340 PRESSURE: 1245800 -24.5582 22.9707 -133.979 22.9695 294.919 9.99466 -133.979 9.9936 -96.1643 GPRESSURE: 1245800 -73.7487 -56.1482 -95.4698 87.8711 329.434 -49.1644 -178.637 -9.72481 8.78097 PRESSAVG: 1245800 25.2907 -7.64648 -13.3159 -7.64646 13.2206 -48.5962 -13.316 -48.5961 -6.16437 GPRESSAVG: 1245800 25.6634 -7.42262 -12.179 -8.12549 13.0665 -47.1876 -13.7018 -50.2429 -7.11996 TIMING: 1245800 CPU: 3610.99, 0.00289709/step Wall: 3610.99, 0.00289709/step, 3.02118 hours remaining, 208.507812 MB of memory in use. ENERGY: 1245800 694.0577 2123.7082 1954.7926 122.3860 -206455.4028 17939.2073 0.0000 0.0000 34438.0806 -149183.1705 300.7563 -183621.2511 -149085.8577 300.3191 58.0654 88.1553 558426.5804 10.7823 10.5366 PRESSURE: 1246000 152.39 187.865 -54.1866 187.866 33.2574 -97.8875 -54.1866 -97.8873 -24.4934 GPRESSURE: 1246000 213.92 134.68 90.0086 231.011 58.0781 -87.8426 -156.833 -72.2272 -16.2105 PRESSAVG: 1246000 28.095 -3.22218 12.0291 -3.22212 -35.3939 2.69123 12.0291 2.69126 52.6681 GPRESSAVG: 1246000 28.4041 -3.80856 11.7915 -3.12975 -35.2933 1.68342 9.99153 4.2384 52.2411 TIMING: 1246000 CPU: 3611.57, 0.00289625/step Wall: 3611.57, 0.00289625/step, 3.02014 hours remaining, 208.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1246000 774.2233 2082.5964 1937.6855 113.8228 -206214.3022 17946.2271 0.0000 0.0000 34083.3161 -149276.4311 297.6581 -183359.7472 -149175.7915 299.4926 53.7179 85.2626 556817.1335 15.1231 15.1173 PRESSURE: 1246200 -4.87573 -93.9304 29.8145 -93.9306 135.791 -94.1551 29.8133 -94.1552 14.5221 GPRESSURE: 1246200 19.2008 -58.7061 99.1004 -220.683 152.147 -135.447 8.59532 -74.4287 51.8339 PRESSAVG: 1246200 45.5882 7.31153 19.0133 7.31148 -42.8295 39.268 19.0134 39.268 -31.847 GPRESSAVG: 1246200 45.0932 6.4965 19.4078 9.71332 -42.5507 39.0461 20.2553 39.0224 -32.2191 TIMING: 1246200 CPU: 3612.15, 0.00289243/step Wall: 3612.15, 0.00289243/step, 3.016 hours remaining, 208.707031 MB of memory in use. ENERGY: 1246200 703.0966 2115.3361 1932.0623 108.0837 -206535.6573 17835.3124 0.0000 0.0000 34389.6000 -149452.1664 300.3329 -183841.7664 -149348.8851 298.6033 48.4791 74.3940 556396.5980 -9.6961 -9.8922 PRESSURE: 1246400 407.72 6.54593 -35.7325 6.54701 -59.1233 -131.908 -35.7313 -131.908 -105.827 GPRESSURE: 1246400 415.636 -0.377911 2.39023 42.3153 1.10796 -55.0266 -159.965 -145.624 -82.0819 PRESSAVG: 1246400 -7.83575 -54.039 14.9706 -54.039 12.7053 -3.56424 14.9707 -3.56427 -34.9955 GPRESSAVG: 1246400 -8.05291 -52.5104 13.3856 -55.6189 12.4572 -1.40765 14.3905 -4.22841 -34.5747 TIMING: 1246400 CPU: 3612.73, 0.00290607/step Wall: 3612.73, 0.00290607/step, 3.03006 hours remaining, 208.707031 MB of memory in use. ENERGY: 1246400 727.8479 2117.3036 1954.9057 105.5918 -206539.0786 18016.9084 0.0000 0.0000 34231.1180 -149385.4032 298.9489 -183616.5212 -149292.2185 298.9930 80.9232 111.5540 556232.2055 -10.0420 -10.0568 PRESSURE: 1246600 -47.2164 74.7332 -167.093 74.734 214.628 -95.485 -167.093 -95.4846 -11.8562 GPRESSURE: 1246600 56.257 -17.9537 -150.445 142.325 235.354 -138.032 -179.22 -45.9014 -34.2523 PRESSAVG: 1246600 0.800679 -17.1767 -20.5484 -17.1766 -3.23701 -1.42627 -20.5484 -1.42614 -11.334 GPRESSAVG: 1246600 0.768722 -16.3128 -20.0786 -17.4661 -3.45945 -2.27448 -21.0695 -1.48104 -10.9187 TIMING: 1246600 CPU: 3613.31, 0.0029333/step Wall: 3613.31, 0.0029333/step, 3.05829 hours remaining, 208.707031 MB of memory in use. ENERGY: 1246600 788.8866 2073.6386 1957.8635 116.4878 -206468.6400 17906.2857 0.0000 0.0000 34071.7929 -149553.6849 297.5574 -183625.4778 -149459.3472 298.5367 51.8518 85.7862 556927.3457 -4.5901 -4.5365 PRESSURE: 1246800 141.992 192.284 -95.4678 192.284 -15.7731 32.4765 -95.468 32.476 -20.7112 GPRESSURE: 1246800 198.736 201.929 -130.21 172.817 -14.9169 78.0519 -74.3725 21.1715 21.1164 PRESSAVG: 1246800 -9.5985 89.4291 -8.96169 89.4291 1.91052 -15.1193 -8.96174 -15.1193 15.091 GPRESSAVG: 1246800 -8.60558 88.4393 -7.60265 88.9215 2.14386 -16.1474 -8.06081 -14.5165 15.1255 TIMING: 1246800 CPU: 3613.89, 0.00289093/step Wall: 3613.89, 0.00289093/step, 3.01396 hours remaining, 208.707031 MB of memory in use. ENERGY: 1246800 761.2572 2114.7434 1953.1099 123.9256 -206295.1843 17897.8658 0.0000 0.0000 33994.1549 -149450.1275 296.8794 -183444.2824 -149354.6996 298.6815 35.1692 68.3118 556733.7138 2.4677 2.8879 PRESSURE: 1247000 -120.791 80.5651 15.6531 80.5661 30.7687 -108.475 15.6538 -108.476 9.42254 GPRESSURE: 1247000 -36.3925 122.575 23.8113 -6.13511 86.237 -83.8432 0.514934 -75.9573 -18.164 PRESSAVG: 1247000 12.1221 25.8563 11.1725 25.8563 0.409826 59.4238 11.1724 59.4237 -14.1852 GPRESSAVG: 1247000 11.4187 26.3198 10.9546 26.4038 1.07013 60.6701 10.316 58.4938 -14.4962 TIMING: 1247000 CPU: 3614.47, 0.00289228/step Wall: 3614.47, 0.00289228/step, 3.0152 hours remaining, 208.707031 MB of memory in use. ENERGY: 1247000 774.6296 2093.0666 1957.6161 113.3015 -206228.3248 17800.1529 0.0000 0.0000 34118.2523 -149371.3058 297.9632 -183489.5580 -149275.8932 298.4556 -26.8665 10.5602 556193.1736 -0.5511 -0.6691 PRESSURE: 1247200 81.8013 106.656 -107.868 106.657 -210.471 83.914 -107.869 83.9142 -28.5727 GPRESSURE: 1247200 96.5903 194.695 -127.108 107.674 -144.993 102.528 -116.405 79.6572 -7.93575 PRESSAVG: 1247200 5.57153 12.4016 -5.34198 12.4015 -18.9669 25.9522 -5.34206 25.9522 7.3631 GPRESSAVG: 1247200 4.07685 13.7547 -5.67784 11.1009 -17.6672 24.9435 -5.41194 26.4742 7.758 TIMING: 1247200 CPU: 3615.06, 0.00292037/step Wall: 3615.06, 0.00292037/step, 3.04433 hours remaining, 208.910156 MB of memory in use. ENERGY: 1247200 781.4834 2123.0631 1921.2548 97.8890 -206390.9453 17955.3442 0.0000 0.0000 34196.8583 -149315.0525 298.6497 -183511.9108 -149221.4225 299.3848 -52.4140 -18.7796 558543.9519 -2.0108 -1.9441 PRESSURE: 1247400 141.406 -87.8445 -5.28314 -87.843 166.812 40.0163 -5.2836 40.0156 244.907 GPRESSURE: 1247400 159.565 -34.248 -86.9246 -130.638 190.16 51.5159 21.9736 125.111 290.057 PRESSAVG: 1247400 56.8664 19.1814 -9.25996 19.1814 -47.6184 2.26523 -9.25992 2.26524 -11.769 GPRESSAVG: 1247400 58.0273 18.1179 -9.26805 21.6001 -48.7999 0.483925 -9.22999 1.85273 -12.1361 TIMING: 1247400 CPU: 3615.64, 0.00290604/step Wall: 3615.64, 0.00290604/step, 3.02922 hours remaining, 208.910156 MB of memory in use. ENERGY: 1247400 743.9311 2130.4307 1955.2273 102.9548 -206567.4421 18003.3213 0.0000 0.0000 34428.6475 -149202.9295 300.6739 -183631.5770 -149104.2517 300.0303 184.3750 213.2606 556162.0564 -0.8403 -0.9696 PRESSURE: 1247600 23.4339 -72.1097 -152.589 -72.1085 -1.55237 54.0791 -152.588 54.0779 325.279 GPRESSURE: 1247600 62.6882 -77.419 -138.075 -32.0542 49.8412 35.0798 -131.815 50.1116 336.383 PRESSAVG: 1247600 -35.5836 -32.4948 20.4466 -32.4949 21.9865 60.554 20.4467 60.5541 -13.644 GPRESSAVG: 1247600 -35.2782 -32.8513 19.4167 -32.4639 22.4708 61.8146 20.3452 59.0356 -14.3046 TIMING: 1247600 CPU: 3616.21, 0.00287987/step Wall: 3616.21, 0.00287987/step, 3.00178 hours remaining, 208.910156 MB of memory in use. ENERGY: 1247600 733.6967 2104.9434 1967.6435 113.3794 -206345.8536 17846.9222 0.0000 0.0000 34400.3839 -149178.8845 300.4271 -183579.2684 -149084.8829 300.0612 115.7202 149.6374 556211.8570 -9.0803 -9.0373 PRESSURE: 1247800 -167.006 -244.606 -107.317 -244.605 -51.6787 -41.4958 -107.316 -41.4968 -48.8042 GPRESSURE: 1247800 -171.358 -204.967 -95.7849 -263.04 -31.4236 -114.502 -176.359 12.306 31.8892 PRESSAVG: 1247800 -3.51351 6.52549 -16.4588 6.52546 18.7795 21.2454 -16.4588 21.2453 16.7028 GPRESSAVG: 1247800 -3.98941 5.70848 -16.1502 5.76491 18.021 20.8552 -16.4839 24.1923 17.6014 TIMING: 1247800 CPU: 3616.79, 0.00289343/step Wall: 3616.79, 0.00289343/step, 3.01576 hours remaining, 208.910156 MB of memory in use. ENERGY: 1247800 762.3202 2113.1043 1930.0352 120.2212 -206230.9404 17806.4697 0.0000 0.0000 34074.5119 -149424.2778 297.5812 -183498.7897 -149332.6281 299.1384 -89.1631 -56.9641 557611.1279 10.6562 10.5443 PRESSURE: 1248000 -102.925 50.086 -173.014 50.0874 13.8336 7.14757 -173.014 7.15031 -209.308 GPRESSURE: 1248000 -85.783 43.9524 -75.6267 -19.6801 45.7425 3.56535 -178.688 -0.543649 -168.272 PRESSAVG: 1248000 -42.9112 -32.2363 -4.55923 -32.2363 25.0979 64.2257 -4.5593 64.2259 48.8179 GPRESSAVG: 1248000 -41.4135 -30.7846 -3.75276 -34.2539 23.0349 64.4739 -4.00391 63.438 48.8456 TIMING: 1248000 CPU: 3617.37, 0.00288835/step Wall: 3617.37, 0.00288835/step, 3.01031 hours remaining, 208.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1248000 754.1191 2111.6099 1934.7534 107.7470 -206116.3715 17835.8456 0.0000 0.0000 34030.4747 -149341.8218 297.1966 -183372.2965 -149245.0467 298.9173 -99.4662 -69.4376 558675.2114 10.3349 10.1557 PRESSURE: 1248200 -114.005 -39.3009 53.4839 -39.3019 -49.6988 -82.8478 53.4837 -82.8492 -64.0052 GPRESSURE: 1248200 -89.728 -33.3737 71.2965 -17.4983 -12.4279 -62.0431 -2.91291 -223.367 -15.3335 PRESSAVG: 1248200 -5.75973 45.1144 -59.9253 45.1145 -0.115244 -44.5948 -59.9252 -44.5949 2.30344 GPRESSAVG: 1248200 -8.1282 45.4301 -59.5139 46.8554 1.97431 -45.734 -59.8986 -45.2306 2.37562 TIMING: 1248200 CPU: 3617.95, 0.00288585/step Wall: 3617.95, 0.00288585/step, 3.00754 hours remaining, 208.910156 MB of memory in use. ENERGY: 1248200 764.6589 2094.4704 1942.8610 123.3506 -206584.7830 17824.4243 0.0000 0.0000 34371.1607 -149463.8571 300.1719 -183835.0178 -149365.2777 299.0495 -75.9029 -39.1631 556354.0053 -1.1905 -1.2594 LDB: ============= START OF LOAD BALANCING ============== 3621.33 LDB: ============== END OF LOAD BALANCING =============== 3621.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3621.33 LDB: ============= START OF LOAD BALANCING ============== 3621.62 LDB: Largest compute 4820 load 0.024350 is 20.6% of average load 0.117946 LDB: Average compute 0.001710 is 1.4% of average load 0.117946 LDB: TIME 3621.62 LOAD: AVG 0.117946 MAX 0.183038 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 3621.62 LOAD: AVG 0.117946 MAX 0.183038 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: TIME 3621.62 LOAD: AVG 0.117946 MAX 0.183038 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3621.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3621.63 PRESSURE: 1248400 -112.901 -56.412 -68.0917 -56.4126 91.2247 110.66 -68.0936 110.661 312.451 GPRESSURE: 1248400 -13.2219 -44.0235 -68.8949 0.115405 55.2469 72.5697 -45.9587 168.168 345.086 PRESSAVG: 1248400 -38.7691 17.1233 -11.8804 17.1233 34.1903 -3.97757 -11.8804 -3.97754 10.2421 GPRESSAVG: 1248400 -36.9604 15.0438 -14.5065 18.668 33.1768 -3.91095 -12.4349 -4.35598 8.53164 TIMING: 1248400 CPU: 3618.54, 0.00294679/step Wall: 3618.54, 0.00294679/step, 3.07088 hours remaining, 208.960938 MB of memory in use. ENERGY: 1248400 715.3864 2079.3685 1936.1700 109.4580 -206326.2512 17898.6292 0.0000 0.0000 34282.4591 -149304.7801 299.3972 -183587.2391 -149211.3858 299.6242 96.9249 129.0371 555668.7912 1.8877 1.5827 PRESSURE: 1248600 -283.107 -186.848 28.9772 -186.849 -304.166 67.3229 28.9766 67.3231 -114.835 GPRESSURE: 1248600 -271.205 -134.44 88.8097 -217.788 -268.835 82.5581 51.3988 -23.2507 -59.4378 PRESSAVG: 1248600 -4.6917 -4.49262 -10.657 -4.49262 2.27094 87.4532 -10.6569 87.4531 -5.45585 GPRESSAVG: 1248600 -4.36868 -4.07679 -8.02566 -6.87777 1.45696 86.9612 -10.0539 86.8984 -4.97642 TIMING: 1248600 CPU: 3619.11, 0.00287129/step Wall: 3619.11, 0.00287129/step, 2.99204 hours remaining, 208.960938 MB of memory in use. ENERGY: 1248600 780.3707 2125.5727 1920.8499 110.1494 -205957.7195 17491.6635 0.0000 0.0000 34325.5904 -149203.5228 299.7739 -183529.1132 -149104.8899 299.1413 -234.0358 -199.8261 556618.2294 -2.6255 -2.6294 PRESSURE: 1248800 -208.29 -174.336 76.8606 -174.334 -165.179 -100.105 76.8609 -100.105 56.1044 GPRESSURE: 1248800 -139.707 -101.355 45.2863 -170.596 -199.849 -134.282 67.1578 -77.5354 106.134 PRESSAVG: 1248800 9.22283 -54.3305 -0.596994 -54.3304 -22.2839 -34.6209 -0.596987 -34.6208 15.8563 GPRESSAVG: 1248800 9.27416 -53.9037 -1.29927 -53.8773 -21.246 -34.8967 -0.0855189 -33.6882 14.9402 TIMING: 1248800 CPU: 3619.69, 0.00289255/step Wall: 3619.69, 0.00289255/step, 3.01404 hours remaining, 208.960938 MB of memory in use. ENERGY: 1248800 767.5408 2104.9783 1948.8039 107.4920 -205979.4522 17623.6156 0.0000 0.0000 34231.0843 -149195.9374 298.9486 -183427.0217 -149093.8678 299.1206 -105.7882 -77.8073 558071.8977 0.9318 0.9894 PRESSURE: 1249000 166.532 -44.1676 50.7083 -44.1675 75.045 -0.316255 50.7071 -0.31664 -148.813 GPRESSURE: 1249000 222.802 -92.8046 40.8587 0.945947 77.7496 26.78 54.6138 -34.2677 -114.464 PRESSAVG: 1249000 -26.742 43.5239 6.88537 43.5239 -31.2966 7.56725 6.88542 7.56726 48.7522 GPRESSAVG: 1249000 -27.7156 42.7412 9.81065 45.2171 -31.1736 7.04466 4.816 7.307 49.2958 TIMING: 1249000 CPU: 3620.26, 0.00288051/step Wall: 3620.26, 0.00288051/step, 3.00133 hours remaining, 208.960938 MB of memory in use. ENERGY: 1249000 706.8370 2085.0923 1928.9481 111.6697 -206170.1265 17743.1825 0.0000 0.0000 34446.8548 -149147.5420 300.8330 -183594.3969 -149053.1290 299.6055 30.9214 62.0292 556719.9799 -3.0955 -3.1978 PRESSURE: 1249200 0.881773 -42.9813 22.4326 -42.983 -27.6136 -95.4088 22.4319 -95.408 -93.6513 GPRESSURE: 1249200 11.9167 -102.984 65.9142 -0.681435 22.8389 -57.8719 -25.8893 -143.793 -62.757 PRESSAVG: 1249200 -1.99613 -19.1573 -1.60205 -19.1573 -29.2134 20.1733 -1.60208 20.1733 26.4325 GPRESSAVG: 1249200 -2.38713 -19.6988 -5.6348 -17.584 -28.8467 21.8498 1.25309 21.3472 26.8832 TIMING: 1249200 CPU: 3620.85, 0.00290871/step Wall: 3620.85, 0.00290871/step, 3.03055 hours remaining, 208.960938 MB of memory in use. ENERGY: 1249200 758.8885 2087.1261 1944.6384 111.3192 -206343.4798 17933.1049 0.0000 0.0000 34427.0742 -149081.3285 300.6602 -183508.4027 -148981.2147 299.5773 -40.1277 -9.3338 558473.8184 -1.5923 -1.4502 PRESSURE: 1249400 158.654 105.596 -14.6845 105.596 -42.0027 23.4879 -14.6841 23.4868 175.843 GPRESSURE: 1249400 233.328 110.371 30.0702 124.373 -30.5423 -83.8463 -0.324886 6.31967 199.573 PRESSAVG: 1249400 -7.25254 -35.1971 -4.97719 -35.197 -14.3671 33.9065 -4.97729 33.9066 4.58156 GPRESSAVG: 1249400 -6.20833 -33.8464 -2.17848 -36.5924 -14.6007 33.8252 -6.99911 33.5751 3.70843 TIMING: 1249400 CPU: 3621.42, 0.00288729/step Wall: 3621.42, 0.00288729/step, 3.00808 hours remaining, 208.960938 MB of memory in use. ENERGY: 1249400 731.8697 2104.6884 1918.4606 112.1022 -206455.8867 18028.7496 0.0000 0.0000 34503.2771 -149056.7391 301.3257 -183560.0162 -148960.5722 300.2828 97.4979 134.1196 556325.7473 -5.6794 -5.7002 PRESSURE: 1249600 -201.757 -37.2414 -38.1296 -37.241 -46.6891 -24.5513 -38.1299 -24.553 150.528 GPRESSURE: 1249600 -133.156 -82.167 64.1886 -103.179 -48.6544 19.5267 -116.763 63.3845 178.542 PRESSAVG: 1249600 -44.5795 -35.362 -2.07134 -35.3621 49.5986 22.6643 -2.07135 22.6644 26.5414 GPRESSAVG: 1249600 -45.93 -35.6561 -3.27904 -35.6688 49.6939 23.7428 0.657794 20.1399 27.0934 TIMING: 1249600 CPU: 3622, 0.0028913/step Wall: 3622, 0.0028913/step, 3.01209 hours remaining, 208.960938 MB of memory in use. ENERGY: 1249600 751.6549 2047.4739 1900.1527 115.9612 -206241.0990 17770.3719 0.0000 0.0000 34442.6862 -149212.7982 300.7965 -183655.4844 -149118.0427 299.9655 -32.6393 -1.0896 557284.4493 10.5202 10.2858 PRESSURE: 1249800 -6.90192 4.88567 23.8204 4.8871 -16.6417 23.9263 23.8207 23.9263 87.1794 GPRESSURE: 1249800 93.6261 22.2509 58.9278 5.61463 -27.3182 -3.93719 99.7989 91.45 90.2489 PRESSAVG: 1249800 -76.1729 -49.2586 60.6681 -49.2586 55.4056 -1.05493 60.6681 -1.05491 38.1968 GPRESSAVG: 1249800 -75.2661 -48.9683 60.9872 -49.3221 54.4383 -1.82834 57.7901 -0.17813 38.2246 TIMING: 1249800 CPU: 3622.58, 0.00289231/step Wall: 3622.58, 0.00289231/step, 3.01299 hours remaining, 208.960938 MB of memory in use. ENERGY: 1249800 701.2664 2120.6087 1931.0340 116.4614 -206383.0395 17911.7735 0.0000 0.0000 34369.2904 -149232.6051 300.1556 -183601.8956 -149142.7824 299.0831 21.2119 52.1856 557216.7889 5.8098 5.7989 PRESSURE: 1250000 201.415 -61.0444 131.861 -61.0438 -47.8773 60.1674 131.86 60.1687 261.912 GPRESSURE: 1250000 250.467 -33.3447 100.956 -101.295 1.32483 155.275 193.525 -14.3311 252.583 PRESSAVG: 1250000 -10.6267 -69.3639 43.787 -69.3638 -10.3735 -67.5434 43.7871 -67.5435 -3.28732 GPRESSAVG: 1250000 -10.4525 -66.4646 45.1804 -70.7671 -10.7478 -67.4128 43.0399 -65.9543 -3.02014 TIMING: 1250000 CPU: 3623.16, 0.00291263/step Wall: 3623.16, 0.00291263/step, 3.03399 hours remaining, 208.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1250000 748.2053 2028.7678 1923.0936 99.2995 -206506.8864 18167.2150 0.0000 0.0000 34371.2724 -149169.0328 300.1729 -183540.3052 -149063.6304 298.9346 138.4833 168.1250 558800.2690 -8.0958 -8.0735 PRESSURE: 1250200 -139.289 -67.6331 -25.8635 -67.6332 -319.814 -29.1815 -25.8634 -29.1816 -196.197 GPRESSURE: 1250200 -138.612 -138.783 -79.0906 -25.6211 -261.25 -92.8236 17.1239 -1.20269 -141.475 PRESSAVG: 1250200 1.51204 -55.987 18.5946 -55.9871 -42.51 -47.958 18.5946 -47.958 81.7323 GPRESSAVG: 1250200 2.53548 -60.4682 17.315 -55.3713 -41.9363 -47.4869 21.577 -49.3204 80.8175 TIMING: 1250200 CPU: 3623.74, 0.00290001/step Wall: 3623.74, 0.00290001/step, 3.02068 hours remaining, 208.960938 MB of memory in use. ENERGY: 1250200 743.8063 2047.3074 1938.1388 118.4185 -205736.6130 17448.7969 0.0000 0.0000 34148.0837 -149292.0613 298.2237 -183440.1450 -149198.7701 298.7918 -218.4329 -180.4458 559456.0809 13.5781 13.8056 PRESSURE: 1250400 -39.4159 95.0388 -108.283 95.0383 40.8711 159.063 -108.284 159.063 135.669 GPRESSURE: 1250400 -71.0736 85.2696 -98.8795 147.601 133.467 185.063 -109.481 64.6659 162.176 PRESSAVG: 1250400 -1.76102 1.41626 49.1125 1.41626 -55.6915 -55.7763 49.1125 -55.7762 46.2208 GPRESSAVG: 1250400 -3.4852 1.20151 49.4066 2.37752 -55.3031 -55.6603 47.1319 -56.584 47.4476 TIMING: 1250400 CPU: 3624.32, 0.00290029/step Wall: 3624.32, 0.00290029/step, 3.02082 hours remaining, 208.960938 MB of memory in use. ENERGY: 1250400 708.4011 2037.9114 1923.1129 121.9441 -206274.8002 17980.9263 0.0000 0.0000 34242.3780 -149260.1265 299.0472 -183502.5045 -149165.5267 299.0729 45.7080 74.8562 559617.6467 -3.7439 -3.7802 PRESSURE: 1250600 -180.336 -166.053 -181.281 -166.052 -146.78 12.6728 -181.281 12.6722 18.4944 GPRESSURE: 1250600 -176.391 -112.257 -174.507 -159.896 -106.484 -53.9221 -200.545 37.013 66.13 PRESSAVG: 1250600 -24.9918 -37.5545 -1.86248 -37.5545 3.91531 -8.76229 -1.86245 -8.76226 25.0787 GPRESSAVG: 1250600 -24.5841 -36.2915 -2.80382 -37.9823 4.10472 -8.99825 -3.3532 -8.87066 24.0804 TIMING: 1250600 CPU: 3624.91, 0.0029137/step Wall: 3624.91, 0.0029137/step, 3.03462 hours remaining, 208.960938 MB of memory in use. ENERGY: 1250600 715.7616 2057.2267 1928.3135 109.9747 -206128.0043 17751.2769 0.0000 0.0000 34410.1051 -149155.3457 300.5120 -183565.4508 -149055.1830 298.8120 -102.8740 -72.2484 560307.3729 1.3341 1.2004 PRESSURE: 1250800 82.5229 -185.595 7.7654 -185.595 82.8756 -145.42 7.76537 -145.42 243.564 GPRESSURE: 1250800 114.818 -128.555 -85.8812 -184.073 139.655 -166.808 81.3521 -124.37 245.819 PRESSAVG: 1250800 5.11705 -46.1633 -18.7076 -46.1632 -14.8358 -18.6127 -18.7075 -18.6127 31.118 GPRESSAVG: 1250800 4.79431 -46.5876 -17.1276 -45.262 -15.202 -19.8951 -18.3198 -17.9552 31.7984 TIMING: 1250800 CPU: 3625.49, 0.0029128/step Wall: 3625.49, 0.0029128/step, 3.03352 hours remaining, 208.960938 MB of memory in use. ENERGY: 1250800 743.7331 2066.8313 1936.7114 113.1311 -206200.5640 17925.3293 0.0000 0.0000 34173.1121 -149241.7157 298.4423 -183414.8278 -149151.4659 299.3803 136.3209 166.7639 557811.4953 7.1331 7.1302 PRESSURE: 1251000 -30.8822 19.6112 72.7132 19.6122 -171.414 -4.35728 72.7145 -4.35724 -237.243 GPRESSURE: 1251000 15.3713 50.622 50.4833 7.53809 -232.676 15.6778 66.8344 -44.0594 -128.437 PRESSAVG: 1251000 -27.5878 4.62012 2.75427 4.62009 33.9088 -35.108 2.75436 -35.108 6.62124 GPRESSAVG: 1251000 -27.6514 5.43863 0.31543 4.21552 34.1145 -34.7651 5.55803 -36.0307 6.54928 TIMING: 1251000 CPU: 3626.07, 0.00292204/step Wall: 3626.07, 0.00292204/step, 3.04298 hours remaining, 208.960938 MB of memory in use. ENERGY: 1251000 741.2935 2070.8470 1948.7426 117.6031 -206000.6692 17520.5808 0.0000 0.0000 34470.9887 -149130.6134 301.0437 -183601.6021 -149036.1799 299.2399 -146.5132 -115.2473 557830.0836 4.3141 4.3375 PRESSURE: 1251200 -107.302 129.724 -62.7796 129.724 -266.17 -73.0001 -62.7798 -72.9989 -32.2261 GPRESSURE: 1251200 -104.252 85.0752 -134.214 170.258 -213.593 -15.7054 -11.1455 -87.0101 18.5339 PRESSAVG: 1251200 5.34024 -11.3065 39.4146 -11.3065 38.5774 22.3462 39.4146 22.3461 -25.7504 GPRESSAVG: 1251200 6.22294 -11.2453 39.6704 -12.305 38.1959 23.112 39.6667 21.5981 -26.2343 TIMING: 1251200 CPU: 3626.65, 0.00290261/step Wall: 3626.65, 0.00290261/step, 3.02258 hours remaining, 208.960938 MB of memory in use. ENERGY: 1251200 787.2401 2065.0963 1939.0836 115.5685 -205790.0536 17553.1242 0.0000 0.0000 34244.9915 -149084.9494 299.0700 -183329.9409 -148995.7033 300.0936 -135.2330 -99.7704 558073.1295 6.0558 6.0615 PRESSURE: 1251400 121.056 -95.7536 -109.396 -95.7522 -107.913 48.7233 -109.396 48.7246 -178.177 GPRESSURE: 1251400 109.074 -65.3346 -121.515 -88.351 -39.3928 50.1238 -135.654 -45.4947 -140.993 PRESSAVG: 1251400 7.54994 -46.5073 2.59786 -46.5073 23.0455 -15.426 2.59778 -15.426 -27.7391 GPRESSAVG: 1251400 7.03913 -44.7476 3.39827 -47.8114 24.0395 -16.6799 1.4624 -13.3633 -27.7051 TIMING: 1251400 CPU: 3627.23, 0.00289157/step Wall: 3627.23, 0.00289157/step, 3.01093 hours remaining, 208.960938 MB of memory in use. ENERGY: 1251400 730.0651 2142.1728 1972.0177 112.6130 -206258.5207 17888.8531 0.0000 0.0000 34213.1068 -149199.6921 298.7916 -183412.7989 -149100.8777 299.7044 -55.0112 -23.7705 558991.7091 0.9521 1.1245 PRESSURE: 1251600 -173.809 -54.9955 60.1835 -54.9961 -110.914 186.479 60.1828 186.479 -46.0781 GPRESSURE: 1251600 -145.877 -62.8089 118.657 -12.069 -58.7199 120.038 20.7417 176.012 -26.0648 PRESSAVG: 1251600 36.4287 -5.37496 48.8335 -5.37496 -54.18 15.6117 48.8336 15.6116 -2.26148 GPRESSAVG: 1251600 35.5248 -7.37087 49.0877 -4.50483 -53.765 13.8225 48.0738 15.6126 -1.59219 TIMING: 1251600 CPU: 3627.81, 0.00290054/step Wall: 3627.81, 0.00290054/step, 3.02011 hours remaining, 208.960938 MB of memory in use. ENERGY: 1251600 731.3661 2047.3909 1938.0741 109.2457 -206092.3935 17672.5066 0.0000 0.0000 34349.3733 -149244.4368 299.9816 -183593.8100 -149139.9257 299.0045 -110.2671 -76.8871 558284.3791 -6.6709 -6.6108 PRESSURE: 1251800 84.0881 185.575 -262.924 185.574 -163.028 68.8824 -262.923 68.8823 32.0403 GPRESSURE: 1251800 103.588 225.777 -265.553 152.226 -116.885 138.477 -317.279 -22.7581 72.6589 PRESSAVG: 1251800 -20.5278 38.2166 -11.5689 38.2165 -96.2493 1.28814 -11.5689 1.28816 119.531 GPRESSAVG: 1251800 -19.7809 38.7753 -13.2717 37.9396 -97.1316 3.412 -10.294 1.23566 119.852 TIMING: 1251800 CPU: 3628.39, 0.00290905/step Wall: 3628.39, 0.00290905/step, 3.02881 hours remaining, 208.960938 MB of memory in use. ENERGY: 1251800 746.5758 2099.4415 1966.8688 133.5249 -206335.5369 17844.7161 0.0000 0.0000 34236.3925 -149308.0172 298.9949 -183544.4097 -149214.8155 299.8669 -15.6333 19.7874 556459.7020 0.9179 0.9799 PRESSURE: 1252000 -71.4641 22.9377 48.7596 22.9378 -163.021 -81.4208 48.7597 -81.4198 -325.923 GPRESSURE: 1252000 -57.3943 83.1415 2.76565 -77.8547 -110.099 -79.6474 30.5565 -74.6203 -298.031 PRESSAVG: 1252000 -23.6364 46.039 12.562 46.0389 37.2223 -11.5258 12.562 -11.5259 22.5824 GPRESSAVG: 1252000 -23.6117 45.0831 13.6538 46.6479 38.064 -11.4361 11.9345 -11.8704 21.7116 TIMING: 1252000 CPU: 3628.97, 0.00289767/step Wall: 3628.97, 0.00289767/step, 3.01679 hours remaining, 208.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1252000 777.2576 2157.9721 1955.1754 129.5560 -206310.1253 17696.7518 0.0000 0.0000 34351.3285 -149242.0840 299.9987 -183593.4125 -149145.5462 299.2423 -186.8027 -155.1747 557887.7073 12.0561 12.0546 PRESSURE: 1252200 -281.691 -128.474 -106.445 -128.473 -300.368 -55.3147 -106.445 -55.3149 -214.317 GPRESSURE: 1252200 -263.616 -105.295 -41.934 -117.085 -275.537 -156.707 -146.831 52.926 -165.987 PRESSAVG: 1252200 -6.1623 -19.1298 -9.62854 -19.1299 -31.5577 -7.92873 -9.62858 -7.92879 48.3744 GPRESSAVG: 1252200 -5.51259 -17.8494 -9.00335 -18.9926 -32.5529 -7.564 -10.8898 -9.06236 48.3316 TIMING: 1252200 CPU: 3629.55, 0.00290671/step Wall: 3629.55, 0.00290671/step, 3.02605 hours remaining, 208.960938 MB of memory in use. ENERGY: 1252200 772.4647 2177.2411 1934.8107 121.2611 -205875.4370 17549.4763 0.0000 0.0000 34047.1224 -149273.0607 297.3420 -183320.1831 -149174.2552 299.0178 -265.4585 -235.0466 558556.6599 3.5515 3.4220 LDB: ============= START OF LOAD BALANCING ============== 3632.94 LDB: ============== END OF LOAD BALANCING =============== 3632.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3632.94 LDB: ============= START OF LOAD BALANCING ============== 3633.23 LDB: Largest compute 4822 load 0.023717 is 20.1% of average load 0.117979 LDB: Average compute 0.001711 is 1.4% of average load 0.117979 LDB: TIME 3633.23 LOAD: AVG 0.117979 MAX 0.184098 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.32 MB LDB: TIME 3633.23 LOAD: AVG 0.117979 MAX 0.184098 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.41 MB LDB: TIME 3633.23 LOAD: AVG 0.117979 MAX 0.184098 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.41 MB LDB: ============== END OF LOAD BALANCING =============== 3633.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3633.24 PRESSURE: 1252400 25.3413 -39.3989 -69.7589 -39.3977 71.0542 -87.1434 -69.7588 -87.1428 -221.301 GPRESSURE: 1252400 55.831 -34.686 -23.5461 -21.4584 118.553 -110.607 -45.6317 -96.818 -197.024 PRESSAVG: 1252400 -7.67555 8.77009 41.321 8.77021 -29.8327 13.8975 41.3209 13.8975 11.5251 GPRESSAVG: 1252400 -9.26391 8.79559 41.5614 7.34538 -29.2804 14.0269 40.6889 13.8451 12.3801 TIMING: 1252400 CPU: 3630.14, 0.00294292/step Wall: 3630.14, 0.00294292/step, 3.06358 hours remaining, 208.507812 MB of memory in use. ENERGY: 1252400 748.6267 2062.7992 1946.6985 110.3443 -206372.4705 17840.5350 0.0000 0.0000 34339.0778 -149324.3890 299.8917 -183663.4668 -149220.1671 299.1656 -41.6351 -7.5466 557136.4214 -8.6611 -8.7214 PRESSURE: 1252600 102.161 -46.0216 4.31592 -46.0216 -173.93 113.167 4.31517 113.167 17.8137 GPRESSURE: 1252600 84.1413 -76.868 4.48409 -10.0415 -108.649 57.369 -7.60169 203.758 73.0202 PRESSAVG: 1252600 44.1855 -9.08781 -27.1074 -9.08786 20.1826 25.259 -27.1073 25.2588 -42.5972 GPRESSAVG: 1252600 44.3593 -8.6007 -28.3105 -9.94966 20.0094 24.5541 -28.2536 26.6935 -42.5513 TIMING: 1252600 CPU: 3630.72, 0.00289276/step Wall: 3630.72, 0.00289276/step, 3.0112 hours remaining, 208.507812 MB of memory in use. ENERGY: 1252600 760.7200 2076.8762 1940.5632 110.3253 -206457.0949 17954.9225 0.0000 0.0000 34330.4202 -149283.2675 299.8161 -183613.6878 -149187.9199 299.5627 -17.9852 16.1710 557576.6863 7.2569 7.2725 PRESSURE: 1252800 -126.132 115.178 11.6103 115.178 -160.626 49.5881 11.6098 49.5888 -84.1198 GPRESSURE: 1252800 -108.359 33.7793 25.3194 140.793 -116.95 98.6549 -24.1925 55.6173 -45.081 PRESSAVG: 1252800 29.6452 -30.5601 37.2747 -30.5602 -10.3565 17.73 37.2749 17.7299 -8.3729 GPRESSAVG: 1252800 31.1187 -31.8523 38.7904 -29.1875 -11.2705 18.061 38.1992 18.7981 -8.79338 TIMING: 1252800 CPU: 3631.29, 0.00286823/step Wall: 3631.29, 0.00286823/step, 2.98551 hours remaining, 208.507812 MB of memory in use. ENERGY: 1252800 694.9208 2105.2739 1931.1878 103.3775 -206141.1939 17755.5431 0.0000 0.0000 34122.0075 -149428.8831 297.9960 -183550.8907 -149335.0223 299.5698 -123.6260 -90.1301 558678.0472 3.6386 3.6849 PRESSURE: 1253000 -43.0526 54.5473 -83.7961 54.5468 2.64619 -136.004 -83.7961 -136.004 165.989 GPRESSURE: 1253000 -17 110.084 9.63283 46.422 59.2209 -168.157 -150.616 -131.856 188.583 PRESSAVG: 1253000 -24.0846 -2.57563 33.2087 -2.57568 35.9813 46.4591 33.2087 46.4591 -1.09134 GPRESSAVG: 1253000 -25.1467 -1.94161 32.373 -2.76176 36.8585 45.4695 32.4996 47.0603 -0.744798 TIMING: 1253000 CPU: 3631.87, 0.00286933/step Wall: 3631.87, 0.00286933/step, 2.98649 hours remaining, 208.507812 MB of memory in use. ENERGY: 1253000 786.6315 2027.2568 1943.3010 113.9592 -206685.8358 17980.6355 0.0000 0.0000 34426.6053 -149407.4466 300.6561 -183834.0519 -149309.2749 299.2244 41.8607 76.9347 555871.4135 3.6018 3.6557 PRESSURE: 1253200 -39.9252 -11.3941 -169.623 -11.3938 -113.511 2.43558 -169.623 2.43604 -85.7101 GPRESSURE: 1253200 -43.6107 -69.9436 -113.573 41.6378 -59.7844 -3.09737 -142.232 -84.8526 -21.9422 PRESSAVG: 1253200 -22.0619 21.257 67.9555 21.257 -2.16081 -47.1149 67.9554 -47.1148 54.4214 GPRESSAVG: 1253200 -21.5603 19.8981 68.676 23.3948 -3.41073 -47.4891 67.4343 -49.1881 54.6384 TIMING: 1253200 CPU: 3632.45, 0.00288743/step Wall: 3632.45, 0.00288743/step, 3.00518 hours remaining, 208.507812 MB of memory in use. ENERGY: 1253200 716.2624 2125.9437 1938.0898 113.2030 -206690.4333 18038.5696 0.0000 0.0000 34285.2023 -149473.1626 299.4212 -183758.3649 -149374.8872 299.0031 -79.7156 -41.7791 558248.1552 10.0662 9.8891 PRESSURE: 1253400 -161.456 -51.6592 -67.489 -51.66 -430.583 33.0316 -67.49 33.0317 -317.938 GPRESSURE: 1253400 -112.796 23.2766 6.7753 -54.3071 -399.176 81.8099 -76.355 -14.402 -293.105 PRESSAVG: 1253400 -30.8072 39.3553 35.2121 39.3553 -28.5599 -30.5945 35.2121 -30.5945 79.5067 GPRESSAVG: 1253400 -31.8174 39.3628 34.0944 38.4203 -26.9977 -28.7509 36.8569 -32.0849 79.1618 TIMING: 1253400 CPU: 3633.03, 0.00291498/step Wall: 3633.03, 0.00291499/step, 3.03369 hours remaining, 208.507812 MB of memory in use. ENERGY: 1253400 762.3460 2118.8311 1953.8044 112.5244 -206266.2633 17516.5119 0.0000 0.0000 34349.6145 -149452.6309 299.9837 -183802.2455 -149356.8167 299.3192 -303.3253 -268.3591 558708.5811 6.7132 6.7823 PRESSURE: 1253600 253.044 66.373 40.1565 66.3731 -236.81 160.051 40.1561 160.049 153.701 GPRESSURE: 1253600 319.342 160.511 10.8641 -12.4491 -195.037 190.935 11.9707 143.244 150.01 PRESSAVG: 1253600 11.0299 28.2142 26.9251 28.2142 0.073158 2.29985 26.9252 2.29987 27.0755 GPRESSAVG: 1253600 10.5299 29.3891 26.643 27.0878 -0.212507 0.133467 28.0135 3.68074 27.9834 TIMING: 1253600 CPU: 3633.61, 0.00292308/step Wall: 3633.61, 0.00292308/step, 3.04195 hours remaining, 208.507812 MB of memory in use. ENERGY: 1253600 763.4686 2064.1004 1933.7855 122.6509 -206294.7889 17786.0448 0.0000 0.0000 34396.9420 -149227.7967 300.3970 -183624.7387 -149128.2270 299.6734 56.6449 91.4383 556539.8950 12.7262 12.7669 PRESSURE: 1253800 -136.72 -38.6309 -16.6895 -38.6309 -91.1878 -175.337 -16.6916 -175.338 -221.218 GPRESSURE: 1253800 -110.961 -77.1065 -6.20492 -24.9133 -47.2974 -187.025 -42.1188 -132.869 -184.622 PRESSAVG: 1253800 48.1694 8.08193 -5.71219 8.08186 -31.6843 27.8156 -5.71219 27.8158 -3.90713 GPRESSAVG: 1253800 49.1399 8.5944 -4.96053 8.66477 -32.3994 28.4751 -7.94554 27.1275 -4.22535 TIMING: 1253800 CPU: 3634.2, 0.00290733/step Wall: 3634.2, 0.00290733/step, 3.0254 hours remaining, 208.507812 MB of memory in use. ENERGY: 1253800 740.2205 2144.6572 1931.7907 110.5027 -206063.9676 17696.6766 0.0000 0.0000 34230.6877 -149209.4322 298.9451 -183440.1199 -149110.8031 299.7050 -149.7087 -114.2936 559611.4353 4.1926 4.1717 PRESSURE: 1254000 336.258 61.4067 50.0079 61.407 183.171 94.2541 50.0081 94.2543 18.0643 GPRESSURE: 1254000 370.619 3.20695 -28.2199 -7.06127 232.259 153.259 68.0458 41.2415 36.5728 PRESSAVG: 1254000 -5.36595 48.1242 3.10153 48.1242 -55.1808 -38.2871 3.10158 -38.2871 66.6685 GPRESSAVG: 1254000 -5.96392 46.8607 2.15594 47.5444 -54.8968 -36.1057 5.89895 -38.7199 67.0277 TIMING: 1254000 CPU: 3634.77, 0.00289858/step Wall: 3634.77, 0.00289858/step, 3.01613 hours remaining, 208.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1254000 744.5839 2159.5816 1943.0968 106.2960 -206562.2946 18048.3389 0.0000 0.0000 34324.2513 -149236.1461 299.7622 -183560.3974 -149136.4337 299.5665 179.1645 213.1503 556021.1428 2.0406 2.0556 PRESSURE: 1254200 83.6414 102.966 48.4278 102.966 106.616 210.465 48.427 210.466 -320.516 GPRESSURE: 1254200 99.1392 49.7038 120.763 82.0363 123.621 181.452 3.6084 208.004 -255.012 PRESSAVG: 1254200 -45.1788 24.8213 16.1889 24.8213 23.8652 37.1062 16.1889 37.1062 62.6259 GPRESSAVG: 1254200 -43.9385 24.6727 17.8096 25.6096 23.4181 37.4234 14.0495 36.7836 62.321 TIMING: 1254200 CPU: 3635.35, 0.00289382/step Wall: 3635.35, 0.00289382/step, 3.01102 hours remaining, 208.789062 MB of memory in use. ENERGY: 1254200 762.9150 2066.9108 1903.3303 120.6318 -206086.3266 17752.1801 0.0000 0.0000 34078.5093 -149401.8492 297.6161 -183480.3585 -149295.7260 298.9479 -43.4195 -10.7505 556940.2957 13.7708 13.9335 PRESSURE: 1254400 -313.475 85.6559 -49.5946 85.6554 -288.514 8.28104 -49.5959 8.28166 -33.8697 GPRESSURE: 1254400 -265.05 64.7083 -28.04 119.175 -267.003 23.2308 -104.288 41.3855 -2.11697 PRESSAVG: 1254400 -3.79236 -1.62322 15.6586 -1.62324 -25.2154 9.01599 15.6586 9.01599 32.3132 GPRESSAVG: 1254400 -3.16203 -1.07711 15.0049 -2.36622 -24.8507 8.93382 15.46 9.24653 31.3265 TIMING: 1254400 CPU: 3635.93, 0.00288712/step Wall: 3635.93, 0.00288712/step, 3.00389 hours remaining, 208.789062 MB of memory in use. ENERGY: 1254400 757.6217 1990.3971 1929.2127 128.5181 -206159.1107 17652.3188 0.0000 0.0000 34282.6784 -149418.3639 299.3992 -183701.0423 -149322.4802 298.8247 -211.9529 -178.0566 559240.9414 1.1018 1.1046 PRESSURE: 1254600 -160.945 -1.95352 -20.1897 -1.95409 107.536 -91.1061 -20.19 -91.1057 8.7103 GPRESSURE: 1254600 -181.214 78.8509 -37.9704 15.4307 184.752 -137.205 -53.8781 -8.78048 45.2706 PRESSAVG: 1254600 -51.0191 10.9807 -58.4492 10.9807 -7.37709 -12.7462 -58.4492 -12.7463 24.826 GPRESSAVG: 1254600 -52.3807 10.9852 -56.6986 13.2395 -5.99223 -16.1501 -57.9846 -11.2188 25.6023 TIMING: 1254600 CPU: 3636.51, 0.00289955/step Wall: 3636.51, 0.00289955/step, 3.01666 hours remaining, 208.789062 MB of memory in use. ENERGY: 1254600 740.7389 2178.9988 1949.4736 115.1698 -206394.6077 17911.4199 0.0000 0.0000 34231.5951 -149267.2117 298.9530 -183498.8068 -149172.2907 299.2166 -14.8996 16.2694 558577.7596 -11.1901 -10.9235 PRESSURE: 1254800 6.16204 -91.1324 -75.8677 -91.132 -366.739 29.019 -75.8676 29.0197 -224.941 GPRESSURE: 1254800 41.755 -49.966 -63.0237 -95.306 -377.908 -4.96798 -70.5212 108.265 -154.877 PRESSAVG: 1254800 21.9613 -7.7926 24.4525 -7.79263 -28.3207 0.940981 24.4525 0.94108 21.797 GPRESSAVG: 1254800 22.2234 -8.67651 25.0145 -8.16458 -28.7527 1.57318 22.3986 1.31037 21.5201 TIMING: 1254800 CPU: 3637.09, 0.00289911/step Wall: 3637.09, 0.00289911/step, 3.01604 hours remaining, 208.789062 MB of memory in use. ENERGY: 1254800 747.0298 2084.7172 1941.5556 102.3510 -205876.5312 17435.1652 0.0000 0.0000 34264.2041 -149301.5083 299.2378 -183565.7124 -149201.8526 299.2913 -195.1725 -163.6765 557926.4160 5.1459 4.9969 PRESSURE: 1255000 211.181 60.296 -68.8547 60.2961 142.565 106.796 -68.8549 106.796 255.715 GPRESSURE: 1255000 188.642 -7.53187 -34.7862 59.7019 143.564 39.8706 -54.0594 103.901 382.075 PRESSAVG: 1255000 17.8454 -0.167579 0.168325 -0.167561 -85.1454 26.8237 0.168378 26.8236 47.8193 GPRESSAVG: 1255000 17.0758 -2.078 1.19275 -0.171046 -86.7804 28.4586 -0.376355 27.0265 49.8069 TIMING: 1255000 CPU: 3637.67, 0.00288412/step Wall: 3637.67, 0.00288412/step, 3.00028 hours remaining, 208.789062 MB of memory in use. ENERGY: 1255000 759.0253 2121.4811 1960.3777 119.7210 -206460.2777 17956.8639 0.0000 0.0000 34417.7562 -149125.0526 300.5788 -183542.8088 -149022.6217 299.6538 203.1535 238.0937 556728.0232 -6.4936 -6.6326 PRESSURE: 1255200 -31.5888 230.606 164.198 230.606 3.38031 -130.608 164.197 -130.608 -2.36771 GPRESSURE: 1255200 37.4334 179.793 179.835 244.278 70.5334 -102.198 175.694 -146.388 -33.5734 PRESSAVG: 1255200 -30.4377 -4.16167 -15.8927 -4.16172 44.4858 -40.3321 -15.8926 -40.332 -4.17194 GPRESSAVG: 1255200 -31.278 -3.81151 -17.7835 -6.15374 46.1656 -39.346 -13.8439 -42.7552 -4.57965 TIMING: 1255200 CPU: 3638.25, 0.0028949/step Wall: 3638.25, 0.0028949/step, 3.01134 hours remaining, 208.789062 MB of memory in use. ENERGY: 1255200 763.6852 2145.6166 1953.6401 105.0509 -206371.0802 18065.1611 0.0000 0.0000 34333.2907 -149004.6356 299.8412 -183337.9263 -148904.6755 299.9696 -10.1921 24.7978 558843.6669 3.2920 3.4360 PRESSURE: 1255400 -82.1587 234.304 -72.7559 234.303 -246.326 15.5221 -72.7562 15.5211 -106.843 GPRESSURE: 1255400 -9.37251 136.88 -69.5283 185.779 -248.211 53.2808 -119.579 19.7215 -82.6347 PRESSAVG: 1255400 -10.6732 24.6303 33.8138 24.6302 7.8126 22.7483 33.8137 22.7483 31.8507 GPRESSAVG: 1255400 -9.66435 25.5032 34.0771 24.8534 7.37743 22.7136 35.587 24.1976 31.3643 TIMING: 1255400 CPU: 3638.82, 0.00285868/step Wall: 3638.82, 0.00285868/step, 2.97351 hours remaining, 208.921875 MB of memory in use. ENERGY: 1255400 741.1670 2154.1618 1959.2939 122.0882 -206121.3177 17851.1351 0.0000 0.0000 34268.1471 -149025.3245 299.2723 -183293.4716 -148930.3739 299.9422 -145.1094 -113.4060 560303.5832 9.6634 9.6925 PRESSURE: 1255600 58.3121 -27.6993 -29.0261 -27.7011 -264.079 195.781 -29.026 195.778 -195.443 GPRESSURE: 1255600 91.0975 -29.4596 -44.9172 20.5102 -236.889 136.073 -21.7082 172.16 -174.589 PRESSAVG: 1255600 20.3328 38.6448 20.9694 38.6449 5.7781 -2.5441 20.9695 -2.54413 -28.8453 GPRESSAVG: 1255600 20.3914 39.3207 19.6213 39.0793 5.92198 -2.5652 18.8484 -4.08418 -29.1642 TIMING: 1255600 CPU: 3639.39, 0.00287079/step Wall: 3639.39, 0.00287079/step, 2.98594 hours remaining, 208.921875 MB of memory in use. ENERGY: 1255600 780.6013 2120.8897 1935.9712 108.0623 -206186.6413 17797.2348 0.0000 0.0000 34244.2035 -149199.6784 299.0631 -183443.8819 -149102.8148 300.1136 -133.7368 -106.7935 557969.2055 -0.9115 -0.9503 PRESSURE: 1255800 44.8723 74.4127 -140.702 74.4134 -218.759 -86.2819 -140.702 -86.282 -193.067 GPRESSURE: 1255800 86.6151 43.5411 -117.534 61.4734 -201.074 -96.8299 -82.4874 -76.0378 -158.667 PRESSAVG: 1255800 38.4146 16.15 2.20066 16.15 -12.6145 20.3359 2.20055 20.336 -11.3663 GPRESSAVG: 1255800 38.1534 17.5765 2.77317 15.0785 -13.0156 19.7159 1.04546 20.6754 -11.6775 TIMING: 1255800 CPU: 3639.97, 0.00287336/step Wall: 3639.97, 0.00287336/step, 2.98845 hours remaining, 208.921875 MB of memory in use. ENERGY: 1255800 737.3393 2043.4591 1961.1099 118.1603 -206170.9373 17794.3810 0.0000 0.0000 34441.2555 -149075.2322 300.7841 -183516.4877 -148978.7492 299.9408 -122.3178 -91.0417 558263.1511 4.8113 4.4867 PRESSURE: 1256000 11.4121 -82.9996 -73.07 -83.0003 85.8706 138.826 -73.0702 138.825 -138.735 GPRESSURE: 1256000 6.91949 -18.7406 -65.7662 -60.5996 161.614 118.237 -34.6171 75.5279 -113.518 PRESSAVG: 1256000 38.8467 -28.2733 -36.7906 -28.2732 0.0773543 103.628 -36.7906 103.628 -59.7807 GPRESSAVG: 1256000 39.197 -30.891 -36.582 -25.7765 0.0473814 103.221 -35.9631 105.215 -59.3683 TIMING: 1256000 CPU: 3640.54, 0.00287892/step Wall: 3640.54, 0.00287892/step, 2.99407 hours remaining, 208.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1256000 749.9120 2132.2909 1948.7591 121.7589 -205672.9489 17658.7632 0.0000 0.0000 34131.1805 -148930.2843 298.0761 -183061.4648 -148832.7599 299.7434 -13.8175 18.3387 558809.8883 -6.9522 -6.7079 PRESSURE: 1256200 286.601 20.0406 -114.486 20.0412 -54.3237 0.353933 -114.486 0.353633 -65.1021 GPRESSURE: 1256200 321.233 5.74157 -67.3395 -20.732 -10.0463 3.89516 -119.097 60.3647 -50.4638 PRESSAVG: 1256200 37.3733 -19.785 -39.9464 -19.7851 -67.1276 25.7183 -39.9464 25.7183 47.6693 GPRESSAVG: 1256200 39.3694 -19.538 -40.471 -21.2111 -68.3317 26.5935 -40.0338 25.9272 46.6145 TIMING: 1256200 CPU: 3641.12, 0.00288854/step Wall: 3641.12, 0.00288854/step, 3.00392 hours remaining, 208.921875 MB of memory in use. ENERGY: 1256200 775.9231 2097.4616 1947.5160 124.8646 -206481.0486 18174.7052 0.0000 0.0000 34318.7542 -149041.8237 299.7142 -183360.5779 -148944.1041 299.2914 55.7252 86.9077 557455.3003 5.9717 5.8841 LDB: ============= START OF LOAD BALANCING ============== 3644.51 LDB: ============== END OF LOAD BALANCING =============== 3644.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3644.51 LDB: ============= START OF LOAD BALANCING ============== 3644.8 LDB: Largest compute 4822 load 0.024464 is 20.7% of average load 0.117901 LDB: Average compute 0.001710 is 1.5% of average load 0.117901 LDB: TIME 3644.8 LOAD: AVG 0.117901 MAX 0.182524 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.082 MB LDB: TIME 3644.8 LOAD: AVG 0.117901 MAX 0.182524 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: TIME 3644.8 LOAD: AVG 0.117901 MAX 0.182524 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3644.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3644.81 PRESSURE: 1256400 147.628 131.515 -26.9969 131.515 -76.1877 89.1059 -26.9978 89.1051 89.7408 GPRESSURE: 1256400 133.797 105.586 10.2952 209.667 -7.67349 63.7322 -49.4064 62.2505 133.037 PRESSAVG: 1256400 37.3742 21.5336 12.6284 21.5337 -85.7439 51.1601 12.6284 51.1601 58.8112 GPRESSAVG: 1256400 36.9211 22.1982 13.1902 21.6504 -85.0524 51.3761 12.453 49.9065 58.6874 TIMING: 1256400 CPU: 3641.71, 0.00295005/step Wall: 3641.71, 0.00295005/step, 3.06772 hours remaining, 208.597656 MB of memory in use. ENERGY: 1256400 723.4994 2101.3640 1941.6141 110.4146 -206337.7485 17935.9573 0.0000 0.0000 34433.5973 -149091.3019 300.7172 -183524.8992 -148991.8058 299.0320 53.7270 86.3868 557349.9879 3.4805 3.5187 PRESSURE: 1256600 26.1148 175.616 -33.8798 175.617 -53.8885 83.3556 -33.8793 83.3543 -68.3295 GPRESSURE: 1256600 44.3214 66.7511 -30.7089 264.296 -20.0192 79.9946 -20.4118 24.2103 -23.2915 PRESSAVG: 1256600 29.2309 26.2775 21.5407 26.2775 -37.5622 49.1163 21.5408 49.1164 -16.9169 GPRESSAVG: 1256600 27.7971 24.6055 21.7355 25.5934 -36.0339 47.8211 20.6879 49.3155 -17.2242 TIMING: 1256600 CPU: 3642.29, 0.00288667/step Wall: 3642.29, 0.00288667/step, 3.00166 hours remaining, 208.855469 MB of memory in use. ENERGY: 1256600 704.6722 2033.3502 1908.4647 120.0735 -206451.8721 17869.1499 0.0000 0.0000 34411.4324 -149404.7292 300.5236 -183816.1616 -149306.6596 299.0783 -32.0344 0.3369 557350.3310 -8.4161 -8.4870 PRESSURE: 1256800 -50.8904 -44.3432 -75.7933 -44.3443 -120.828 63.5307 -75.7945 63.5305 64.2461 GPRESSURE: 1256800 28.4733 1.11384 -42.3475 -107.691 -83.4678 -38.8002 -126.426 57.0372 37.299 PRESSAVG: 1256800 15.4668 3.87205 -5.30345 3.87202 14.3954 39.3494 -5.30344 39.3494 -23.1686 GPRESSAVG: 1256800 16.0976 3.76305 -5.82905 5.13142 12.5243 39.8056 -3.61193 40.953 -22.3358 TIMING: 1256800 CPU: 3642.86, 0.00287043/step Wall: 3642.86, 0.00287043/step, 2.98461 hours remaining, 208.855469 MB of memory in use. ENERGY: 1256800 742.7613 2084.2485 1945.2461 111.5018 -206448.2591 17852.1443 0.0000 0.0000 34321.2117 -149391.1455 299.7357 -183712.3572 -149287.4977 298.8238 -35.8241 -5.8985 556782.2208 2.2312 2.0954 PRESSURE: 1257000 24.2311 -7.559 -119.45 -7.55961 43.4108 33.0705 -119.45 33.0697 -135.705 GPRESSURE: 1257000 118.483 58.7516 -126.17 44.1971 19.2967 6.67943 -57.2463 32.7367 -102.223 PRESSAVG: 1257000 8.01173 5.89052 -19.774 5.89051 -25.3644 33.758 -19.774 33.758 -15.9624 GPRESSAVG: 1257000 6.80242 6.65675 -17.5014 4.90573 -24.3228 32.2901 -22.0255 31.8268 -15.865 TIMING: 1257000 CPU: 3643.44, 0.00289673/step Wall: 3643.44, 0.00289673/step, 3.0118 hours remaining, 208.855469 MB of memory in use. ENERGY: 1257000 720.2154 2034.4070 1950.2391 115.2318 -206529.3839 17904.3118 0.0000 0.0000 34453.4723 -149351.5065 300.8907 -183804.9788 -149256.9897 298.4923 -22.6876 11.8524 557519.8521 -11.1050 -11.1285 PRESSURE: 1257200 338.838 41.6264 -112.831 41.6257 246.512 53.3523 -112.832 53.3522 60.1863 GPRESSURE: 1257200 386.394 61.7329 -106.866 -2.54542 281.299 59.2594 -104.055 -10.7577 77.198 PRESSAVG: 1257200 2.70642 23.7181 -59.0809 23.7182 32.5027 14.534 -59.0809 14.5341 -57.5208 GPRESSAVG: 1257200 2.66646 24.4064 -61.1684 23.855 31.3266 15.1254 -57.4171 16.8786 -56.8103 TIMING: 1257200 CPU: 3644.02, 0.002897/step Wall: 3644.02, 0.002897/step, 3.01191 hours remaining, 208.855469 MB of memory in use. ENERGY: 1257200 752.5185 2017.1970 1942.0634 114.0287 -206601.1089 18287.4346 0.0000 0.0000 34222.1391 -149265.7275 298.8705 -183487.8667 -149171.6505 298.8976 215.1787 248.2971 558479.9229 -7.4372 -7.6058 PRESSURE: 1257400 390.899 -84.0418 -62.2695 -84.0426 -145.014 104.8 -62.2688 104.8 34.0153 GPRESSURE: 1257400 297.444 -107.363 -51.9222 -111.887 -75.2657 62.1292 -108.308 119.202 157.561 PRESSAVG: 1257400 10.6716 -40.7862 -29.8728 -40.7861 32.8135 67.3199 -29.8729 67.3201 -0.587822 GPRESSAVG: 1257400 11.1096 -41.1255 -29.3732 -41.415 34.1196 70.2106 -30.6308 65.0702 -1.94376 TIMING: 1257400 CPU: 3644.6, 0.00289644/step Wall: 3644.6, 0.00289644/step, 3.01117 hours remaining, 208.855469 MB of memory in use. ENERGY: 1257400 748.6977 2105.0219 1917.1466 115.6712 -206853.4921 18213.2507 0.0000 0.0000 34457.8610 -149295.8430 300.9291 -183753.7040 -149201.9228 299.7018 93.3000 126.5798 557945.7528 14.2991 14.4285 PRESSURE: 1257600 5.82846 -23.6656 70.3418 -23.6667 174.776 0.599279 70.3418 0.598977 3.51695 GPRESSURE: 1257600 99.3005 -54.2471 130.867 73.0951 143.097 -59.6823 130.051 1.37803 36.0718 PRESSAVG: 1257600 44.4002 -1.30627 -19.8464 -1.30633 -55.9456 65.3518 -19.8464 65.3517 71.779 GPRESSAVG: 1257600 44.5571 -1.47751 -19.5518 0.477232 -56.9258 62.5804 -19.5179 66.5947 73.3047 TIMING: 1257600 CPU: 3645.18, 0.00289672/step Wall: 3645.18, 0.00289672/step, 3.0113 hours remaining, 208.855469 MB of memory in use. ENERGY: 1257600 757.6773 2098.7300 1947.9575 107.9396 -206377.2831 18042.5621 0.0000 0.0000 34272.2794 -149150.1372 299.3083 -183422.4166 -149056.0350 299.8062 61.3737 92.8231 558553.5086 20.0779 20.3120 PRESSURE: 1257800 -75.1654 139.382 -60.8484 139.381 -81.7302 -4.74852 -60.8489 -4.74929 48.9247 GPRESSURE: 1257800 -16.4971 152.937 -150.909 160.132 -5.53417 -51.3656 -57.3714 69.9166 7.76414 PRESSAVG: 1257800 -2.26563 -12.821 15.0582 -12.821 -1.29564 60.743 15.0584 60.7429 12.0838 GPRESSAVG: 1257800 -1.73796 -11.4942 15.8636 -15.4627 -1.39526 61.6084 14.464 60.0805 11.7426 TIMING: 1257800 CPU: 3645.76, 0.00289025/step Wall: 3645.76, 0.00289025/step, 3.00442 hours remaining, 208.855469 MB of memory in use. ENERGY: 1257800 755.1559 2134.7541 1935.1191 103.5260 -206450.4954 17788.7982 0.0000 0.0000 34540.5536 -149192.5886 301.6512 -183733.1421 -149093.2247 300.4738 -35.9903 -4.7557 558910.4895 2.8408 2.8698 PRESSURE: 1258000 -170.856 -7.2381 171.825 -7.23853 95.5044 332.355 171.826 332.355 -110.891 GPRESSURE: 1258000 -99.3968 -48.9251 147.435 -63.0941 92.042 235.831 103.121 339.259 -89.0135 PRESSAVG: 1258000 -44.5779 32.3952 -21.7478 32.3953 13.2148 34.6236 -21.7478 34.6235 83.4613 GPRESSAVG: 1258000 -44.7965 31.3396 -22.6835 33.2909 14.3169 36.4867 -21.0136 34.2038 82.9057 TIMING: 1258000 CPU: 3646.34, 0.00288862/step Wall: 3646.34, 0.00288862/step, 3.00256 hours remaining, 208.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1258000 725.2302 2151.9592 1925.9999 107.3003 -206127.9369 17665.7749 0.0000 0.0000 34430.7434 -149120.9290 300.6922 -183551.6725 -149026.2324 300.2511 -62.0806 -32.1228 559456.4854 17.3661 17.4754 PRESSURE: 1258200 -9.89439 137.477 96.7408 137.476 -258.182 105.284 96.7419 105.284 -98.4528 GPRESSURE: 1258200 -13.0168 177.751 208.698 138.14 -204.559 134.447 0.177024 140.647 -59.2961 PRESSAVG: 1258200 26.6549 -14.0599 17.8639 -14.06 -26.1571 11.8881 17.8639 11.8881 15.2241 GPRESSAVG: 1258200 26.4412 -15.0852 20.612 -13.5541 -26.1203 10.7602 16.1096 11.5854 14.9516 TIMING: 1258200 CPU: 3646.91, 0.00288034/step Wall: 3646.91, 0.00288034/step, 2.9938 hours remaining, 208.855469 MB of memory in use. ENERGY: 1258200 744.4316 2157.9234 1952.5131 109.4629 -205898.2298 17566.7497 0.0000 0.0000 34171.3645 -149195.7846 298.4270 -183367.1491 -149093.0809 299.8080 -122.1764 -92.2906 558215.1924 5.2406 5.0908 PRESSURE: 1258400 -35.9615 0.198158 -142.305 0.197679 73.7317 20.6387 -142.306 20.6386 -50.3386 GPRESSURE: 1258400 26.6854 111.673 -191.048 -54.3449 78.8468 -8.0879 -47.7092 19.0841 -18.1025 PRESSAVG: 1258400 -27.0038 -27.6148 6.50859 -27.6148 -46.055 59.1326 6.50851 59.1326 39.0678 GPRESSAVG: 1258400 -27.6051 -25.4579 5.09528 -28.9717 -44.9836 57.0437 7.73174 62.9732 39.0746 TIMING: 1258400 CPU: 3647.49, 0.00289697/step Wall: 3647.49, 0.00289697/step, 3.01092 hours remaining, 208.910156 MB of memory in use. ENERGY: 1258400 799.6586 2096.2504 1960.7271 104.0968 -206155.4999 17799.9341 0.0000 0.0000 34254.2231 -149140.6099 299.1507 -183394.8330 -149043.1195 299.6118 -4.1895 29.1433 556778.3678 -11.3303 -11.1714 PRESSURE: 1258600 -78.8784 -39.3896 -49.4578 -39.3897 91.0745 41.0666 -49.4572 41.0692 -63.7715 GPRESSURE: 1258600 -70.0363 -52.6636 -62.6801 -35.5097 119.785 42.3745 -28.2251 -28.6428 -8.07979 PRESSAVG: 1258600 -39.2975 -32.8375 -8.22764 -32.8375 5.02106 51.0463 -8.22759 51.0464 22.7766 GPRESSAVG: 1258600 -39.2269 -35.1727 -9.87957 -31.5608 3.94053 52.5981 -8.48448 47.6965 23.5579 TIMING: 1258600 CPU: 3648.07, 0.00290822/step Wall: 3648.07, 0.00290822/step, 3.02245 hours remaining, 208.910156 MB of memory in use. ENERGY: 1258600 762.1544 1990.9305 1953.6016 110.5708 -205996.4456 17787.9470 0.0000 0.0000 34342.0246 -149049.2167 299.9174 -183391.2412 -148958.8089 300.1692 -17.1918 13.8896 557662.6015 -3.8333 -3.9095 PRESSURE: 1258800 -259.94 -62.747 -49.0712 -62.7467 -281.518 119.81 -49.0713 119.809 -335.563 GPRESSURE: 1258800 -244.229 -123.99 -14.2412 -1.41639 -230.455 189.474 -101.144 42.4443 -302.52 PRESSAVG: 1258800 49.7561 -48.17 16.9865 -48.1699 18.5824 -18.6694 16.9866 -18.6695 -31.6189 GPRESSAVG: 1258800 50.2585 -47.1088 17.9871 -49.9747 19.004 -16.8013 18.8622 -19.5619 -32.5986 TIMING: 1258800 CPU: 3648.65, 0.00289456/step Wall: 3648.65, 0.00289456/step, 3.00809 hours remaining, 208.910156 MB of memory in use. ENERGY: 1258800 762.8067 2073.6499 1929.3389 121.1738 -205715.2918 17425.8815 0.0000 0.0000 34234.5651 -149167.8761 298.9790 -183402.4412 -149068.9726 299.9727 -292.3405 -259.0680 558071.0854 12.2399 12.2213 PRESSURE: 1259000 194.442 -71.7911 -142.714 -71.7903 145.614 -72.4892 -142.713 -72.4875 74.3618 GPRESSURE: 1259000 221.971 -27.9909 -182.465 -144.645 231.52 -67.1524 -106.824 -49.7181 48.0613 PRESSAVG: 1259000 -4.50844 -2.02015 -28.7169 -2.0202 62.489 17.3121 -28.717 17.3122 -70.7473 GPRESSAVG: 1259000 -4.26339 -0.915928 -31.1959 -1.44552 62.9403 15.4185 -30.1046 18.1876 -72.2222 TIMING: 1259000 CPU: 3649.23, 0.00288943/step Wall: 3649.23, 0.00288943/step, 3.0026 hours remaining, 208.910156 MB of memory in use. ENERGY: 1259000 748.2465 2099.3635 1952.0710 121.2597 -206592.0872 18114.5812 0.0000 0.0000 34228.2824 -149328.2829 298.9241 -183556.5653 -149240.5175 298.8413 138.1394 167.1841 557660.7874 -4.2555 -4.5151 PRESSURE: 1259200 -123.132 -36.3933 54.4029 -36.3943 -142.762 -18.6753 54.4039 -18.6738 96.348 GPRESSURE: 1259200 -95.3128 -72.02 56.9574 2.82508 -74.7667 4.39785 39.5847 -10.0246 88.4964 PRESSAVG: 1259200 -11.6981 19.3611 -26.5472 19.3612 -8.21945 -44.5134 -26.5473 -44.5133 12.1039 GPRESSAVG: 1259200 -10.8256 16.0396 -25.8715 19.1014 -9.41709 -43.2343 -25.8552 -44.955 12.5726 TIMING: 1259200 CPU: 3649.81, 0.00289784/step Wall: 3649.81, 0.00289784/step, 3.01118 hours remaining, 208.910156 MB of memory in use. ENERGY: 1259200 737.3770 2085.1387 1940.8088 111.0531 -206211.7617 17798.0437 0.0000 0.0000 34299.9477 -149239.3928 299.5500 -183539.3405 -149143.5438 298.2386 -56.5153 -27.1943 557052.5410 -2.6046 -2.5567 PRESSURE: 1259400 -130.292 -68.071 -19.2349 -68.071 53.4947 1.48359 -19.234 1.48503 164.962 GPRESSURE: 1259400 -64.7431 42.6435 -36.3859 -103.2 63.7101 39.4427 -58.9063 -41.2395 190.487 PRESSAVG: 1259400 9.02214 31.085 -48.3194 31.085 21.0201 5.22051 -48.3193 5.22046 -56.4041 GPRESSAVG: 1259400 7.33372 35.135 -48.4197 31.6744 22.3617 4.99707 -48.3109 5.15731 -55.9837 TIMING: 1259400 CPU: 3650.39, 0.00291754/step Wall: 3650.39, 0.00291754/step, 3.03148 hours remaining, 208.910156 MB of memory in use. ENERGY: 1259400 726.7520 2158.3141 1929.1054 115.8808 -206684.2402 17973.1827 0.0000 0.0000 34296.9232 -149484.0820 299.5236 -183781.0052 -149389.9310 298.3889 29.3884 63.1513 556639.4831 -8.7873 -8.7628 PRESSURE: 1259600 138.778 -19.1656 -102.733 -19.1646 233.661 -138.458 -102.734 -138.458 191.315 GPRESSURE: 1259600 144.045 -63.3266 -53.3118 66.3589 297.435 -216.254 -83.1849 -80.7038 211.444 PRESSAVG: 1259600 8.92304 3.13371 2.08537 3.13366 94.6995 -3.11237 2.08541 -3.11241 -77.2669 GPRESSAVG: 1259600 9.28079 -0.289135 2.96775 3.32522 94.2053 -4.58086 1.19504 1.06138 -77.0652 TIMING: 1259600 CPU: 3650.97, 0.00290108/step Wall: 3650.97, 0.00290108/step, 3.01422 hours remaining, 208.910156 MB of memory in use. ENERGY: 1259600 749.4891 2142.0911 1934.4489 122.2456 -206797.9222 18202.6882 0.0000 0.0000 34196.3258 -149450.6336 298.6450 -183646.9593 -149366.9763 299.1036 187.9180 217.6414 557768.0882 8.7852 8.8070 PRESSURE: 1259800 -160.783 146.991 -1.65173 146.991 239.132 118.426 -1.65255 118.428 -30.8336 GPRESSURE: 1259800 -105.386 87.2823 70.2657 146.364 268.45 80.8125 -56.5563 87.2956 -17.2403 PRESSAVG: 1259800 -39.7635 16.987 0.175824 16.987 29.3216 -51.4966 0.175962 -51.4966 23.93 GPRESSAVG: 1259800 -39.3426 22.1587 1.90811 13.3912 29.0892 -51.1234 -1.96931 -53.4034 23.2685 TIMING: 1259800 CPU: 3651.55, 0.00289657/step Wall: 3651.55, 0.00289657/step, 3.00937 hours remaining, 208.910156 MB of memory in use. ENERGY: 1259800 724.3872 2075.5718 1965.9360 103.1938 -207119.0707 18061.7115 0.0000 0.0000 34453.7672 -149734.5031 300.8933 -184188.2703 -149631.9994 298.8031 15.8387 48.6078 556795.4968 4.4960 4.3384 PRESSURE: 1260000 -105.461 -31.6022 34.4946 -31.6021 -286.873 -52.3579 34.4945 -52.3576 -3.16075 GPRESSURE: 1260000 -127.682 28.2204 42.3732 -97.5523 -262.017 -85.0978 26.5274 -62.1567 86.8354 PRESSAVG: 1260000 31.4311 -4.27612 -1.65153 -4.27603 24.9338 -28.477 -1.65155 -28.477 -46.7701 GPRESSAVG: 1260000 32.1287 -8.57554 -2.41137 -1.34819 23.9204 -28.1876 -0.962666 -28.668 -46.664 TIMING: 1260000 CPU: 3652.14, 0.002924/step Wall: 3652.14, 0.002924/step, 3.03771 hours remaining, 208.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1260000 752.1768 2089.1954 1928.9715 118.9835 -206672.2436 17861.5174 0.0000 0.0000 34161.3462 -149760.0528 298.3395 -183921.3990 -149667.6733 297.6432 -131.8317 -100.9544 558515.2478 3.1983 3.1284 PRESSURE: 1260200 -23.2151 157.507 -215.856 157.507 -219.83 94.7392 -215.855 94.7388 -134.256 GPRESSURE: 1260200 -58.25 82.5906 -106.245 202.713 -150.57 96.3894 -214.44 122.319 -77.3707 PRESSAVG: 1260200 -35.4491 -18.7988 -22.315 -18.7988 3.45094 -4.99185 -22.315 -4.99189 -14.2084 GPRESSAVG: 1260200 -37.4754 -16.8852 -23.4244 -18.8906 4.78715 -4.34921 -20.9411 -5.21026 -13.6382 TIMING: 1260200 CPU: 3652.71, 0.00289002/step Wall: 3652.71, 0.00289002/step, 3.00225 hours remaining, 208.910156 MB of memory in use. ENERGY: 1260200 775.4321 2123.7026 1934.8304 111.9298 -206602.3355 17930.8140 0.0000 0.0000 33990.0877 -149735.5389 296.8439 -183725.6266 -149645.9992 298.0314 -125.7668 -95.3969 557888.7682 -15.4022 -15.4422 LDB: ============= START OF LOAD BALANCING ============== 3656.1 LDB: ============== END OF LOAD BALANCING =============== 3656.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3656.1 LDB: ============= START OF LOAD BALANCING ============== 3656.39 LDB: Largest compute 4822 load 0.025522 is 21.6% of average load 0.117967 LDB: Average compute 0.001710 is 1.4% of average load 0.117967 LDB: TIME 3656.39 LOAD: AVG 0.117967 MAX 0.183646 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.531 MB LDB: TIME 3656.39 LOAD: AVG 0.117967 MAX 0.183646 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.531 MB LDB: TIME 3656.39 LOAD: AVG 0.117967 MAX 0.183646 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3656.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3656.4 PRESSURE: 1260400 30.7446 38.3462 116.665 38.3452 14.061 0.109491 116.666 0.108282 -166.028 GPRESSURE: 1260400 51.3578 118.236 83.3371 -13.9544 41.2691 89.6674 77.5824 -16.4735 -120.361 PRESSAVG: 1260400 30.1778 16.242 -16.348 16.242 0.0135598 3.5176 -16.3481 3.51756 -20.077 GPRESSAVG: 1260400 31.7611 13.443 -17.0719 18.2241 -0.578063 4.72667 -17.437 2.57146 -20.3067 TIMING: 1260400 CPU: 3653.3, 0.00294147/step Wall: 3653.3, 0.00294147/step, 3.05553 hours remaining, 210.640625 MB of memory in use. ENERGY: 1260400 734.3620 2089.6537 1952.3153 100.8358 -206444.2134 17881.8984 0.0000 0.0000 33941.9634 -149743.1848 296.4236 -183685.1482 -149645.6547 298.1377 -40.4076 -9.2448 556788.0110 3.3714 3.6254 PRESSURE: 1260600 -10.5359 -18.4537 156.345 -18.4529 63.5622 -23.4073 156.344 -23.4076 149.446 GPRESSURE: 1260600 63.7935 -14.636 185.566 -48.2866 111.457 4.15224 153.681 37.1809 138.903 PRESSAVG: 1260600 -60.9637 -1.1985 22.3302 -1.19842 96.3026 11.8109 22.3302 11.8109 -27.3997 GPRESSAVG: 1260600 -60.7613 1.11598 20.3559 -3.27282 97.0162 9.46731 25.154 12.7818 -28.4892 TIMING: 1260600 CPU: 3653.88, 0.00290335/step Wall: 3653.88, 0.00290335/step, 3.01577 hours remaining, 210.750000 MB of memory in use. ENERGY: 1260600 732.4599 2042.6657 1928.8973 116.3097 -206361.3478 17843.7696 0.0000 0.0000 34067.6935 -149629.5522 297.5216 -183697.2457 -149540.9666 297.7516 67.4907 104.7178 556353.2792 2.6464 2.5886 PRESSURE: 1260800 -214.875 -22.5107 -28.9424 -22.5102 -135.458 10.0688 -28.9421 10.0686 260.674 GPRESSURE: 1260800 -198.331 38.5272 -6.10549 -62.4447 -68.3913 22.047 -34.1232 30.2287 284.606 PRESSAVG: 1260800 13.3915 -44.685 1.19405 -44.685 -52.058 9.77149 1.19411 9.77141 0.126023 GPRESSAVG: 1260800 13.7056 -44.713 3.22209 -43.4262 -53.4989 8.91739 -0.190914 10.5502 1.33452 TIMING: 1260800 CPU: 3654.47, 0.00290782/step Wall: 3654.47, 0.00290782/step, 3.02026 hours remaining, 210.750000 MB of memory in use. ENERGY: 1260800 740.9059 2058.4852 1911.6910 115.3663 -206241.5195 17634.5112 0.0000 0.0000 34265.8565 -149514.7035 299.2522 -183780.5600 -149421.4353 297.8199 -29.8861 5.9613 556816.2084 -12.8468 -12.8196 PRESSURE: 1261000 -140.155 -46.2577 -158.864 -46.2568 -105.707 2.55044 -158.865 2.5502 -243.354 GPRESSURE: 1261000 -135.357 -71.4976 -167.937 -78.2201 -89.4555 -21.2737 -92.0444 -20.1906 -172.645 PRESSAVG: 1261000 -4.84545 24.6698 -13.2295 24.6697 -32.1852 -10.0823 -13.2296 -10.0824 25.7696 GPRESSAVG: 1261000 -5.48592 24.3243 -13.202 22.96 -30.851 -8.91564 -13.7503 -10.5037 26.1043 TIMING: 1261000 CPU: 3655.04, 0.00287987/step Wall: 3655.04, 0.00287987/step, 2.99107 hours remaining, 210.750000 MB of memory in use. ENERGY: 1261000 738.8209 2052.2478 1936.6328 113.4840 -206412.2430 17870.0531 0.0000 0.0000 34187.7118 -149513.2926 298.5698 -183701.0044 -149419.2273 298.7774 -163.0719 -132.4858 558659.6901 -3.7537 -3.4109 PRESSURE: 1261200 199.223 43.2301 73.0941 43.2314 -80.2473 117.411 73.0953 117.409 -83.2844 GPRESSURE: 1261200 198.542 95.9853 108.497 59.9744 -37.6351 80.4593 21.3329 47.0346 -21.9923 PRESSAVG: 1261200 -42.5745 57.7657 -28.97 57.7656 34.0342 11.8846 -28.9699 11.8846 60.6556 GPRESSAVG: 1261200 -42.4404 59.5759 -30.0827 56.3466 33.4433 12.9848 -28.409 10.7543 60.6664 TIMING: 1261200 CPU: 3655.62, 0.00287343/step Wall: 3655.62, 0.00287343/step, 2.98422 hours remaining, 210.750000 MB of memory in use. ENERGY: 1261200 725.5167 2093.1183 1938.9084 113.7646 -206284.4349 17859.6274 0.0000 0.0000 34036.3707 -149517.1289 297.2481 -183553.4996 -149421.7733 298.6762 11.8969 46.3048 556834.8000 17.3718 17.2231 PRESSURE: 1261400 -137.079 27.8079 65.7054 27.8085 -284.666 -124.226 65.7056 -124.227 39.7323 GPRESSURE: 1261400 -107.12 72.9478 85.7037 -32.9097 -250.99 -112.662 -8.55389 -77.6573 56.2254 PRESSAVG: 1261400 -43.3331 14.5608 13.7657 14.5608 -54.3384 5.30385 13.7657 5.30392 103.152 GPRESSAVG: 1261400 -43.1833 13.6644 14.7703 16.7041 -53.6997 5.58341 12.8714 5.44847 102.478 TIMING: 1261400 CPU: 3656.2, 0.00290216/step Wall: 3656.2, 0.00290216/step, 3.01389 hours remaining, 210.750000 MB of memory in use. ENERGY: 1261400 710.6969 2137.7737 1950.8757 111.3663 -206239.8110 17452.6668 0.0000 0.0000 34269.5227 -149606.9090 299.2843 -183876.4317 -149507.1055 298.6262 -127.3376 -100.6282 557392.5158 1.8268 1.8651 PRESSURE: 1261600 -57.7499 -92.8883 -0.711195 -92.8885 -190.616 -4.34698 -0.710673 -4.34549 -324.497 GPRESSURE: 1261600 -18.5651 -61.6368 4.7475 -120.94 -117.176 -26.6963 31.0522 -31.1851 -323.833 PRESSAVG: 1261600 21.4492 2.60478 9.779 2.60474 -52.4158 -39.3229 9.77891 -39.3227 39.0227 GPRESSAVG: 1261600 19.7648 0.89374 10.509 2.36637 -52.4214 -40.4586 9.7858 -38.174 40.8911 TIMING: 1261600 CPU: 3656.78, 0.00290689/step Wall: 3656.78, 0.00290689/step, 3.01865 hours remaining, 210.750000 MB of memory in use. ENERGY: 1261600 744.8076 2111.7380 1948.2276 116.3880 -206243.3210 17545.2180 0.0000 0.0000 34146.7709 -149630.1709 298.2122 -183776.9418 -149535.8708 298.4968 -190.9545 -153.1914 557334.4203 2.6854 2.7448 PRESSURE: 1261800 168.41 140.623 140.67 140.621 -12.3081 99.3478 140.668 99.3472 18.1927 GPRESSURE: 1261800 159.551 188.176 95.3767 179.582 -7.63828 -1.24686 200.475 121.55 117.275 PRESSAVG: 1261800 -3.84114 27.3879 -2.6535 27.3878 55.2578 -22.5289 -2.65346 -22.5289 -7.07521 GPRESSAVG: 1261800 -2.82531 27.91 -5.08356 28.1333 54.4385 -21.8967 -1.95635 -23.996 -7.61605 TIMING: 1261800 CPU: 3657.36, 0.00290243/step Wall: 3657.36, 0.00290243/step, 3.01386 hours remaining, 210.750000 MB of memory in use. ENERGY: 1261800 759.6919 2115.6804 1920.6901 120.8602 -206755.4163 18092.1387 0.0000 0.0000 34322.5606 -149423.7944 299.7475 -183746.3550 -149326.2931 298.3924 58.0981 89.7292 557339.1589 14.7805 14.6657 PRESSURE: 1262000 -292.021 4.84709 -249.356 4.84831 -326.811 29.4384 -249.356 29.439 -338.905 GPRESSURE: 1262000 -245.568 26.5906 -153.13 11.1185 -347.327 1.99809 -175.572 52.1824 -268.964 PRESSAVG: 1262000 -40.5376 -14.9282 -9.70622 -14.9281 -52.9875 -9.84273 -9.70624 -9.84276 95.8635 GPRESSAVG: 1262000 -41.274 -15.9653 -9.78674 -13.9283 -52.4787 -8.03498 -8.70717 -10.4238 95.8431 TIMING: 1262000 CPU: 3657.94, 0.00291861/step Wall: 3657.94, 0.00291861/step, 3.03049 hours remaining, 210.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1262000 796.0930 2082.5186 1948.7442 98.6109 -205838.5747 17349.8729 0.0000 0.0000 34190.2376 -149372.4975 298.5918 -183562.7351 -149275.5627 298.8453 -319.2458 -287.2866 557582.5096 0.7795 0.6968 PRESSURE: 1262200 -263.06 209.516 44.9539 209.516 -279.449 -57.7162 44.9531 -57.7174 61.3322 GPRESSURE: 1262200 -222.101 191.106 69.9441 209.842 -212.096 -26.9549 -6.70492 -144.68 55.5869 PRESSAVG: 1262200 -20.4158 19.1552 -19.3565 19.1552 -7.85987 14.6053 -19.3565 14.6052 -4.99921 GPRESSAVG: 1262200 -19.1523 21.9938 -20.454 17.4753 -8.51406 13.9633 -19.6389 15.4335 -5.69393 TIMING: 1262200 CPU: 3658.53, 0.00292079/step Wall: 3658.53, 0.00292079/step, 3.0326 hours remaining, 210.750000 MB of memory in use. ENERGY: 1262200 766.6051 2101.1631 1939.5402 108.7850 -206404.3087 17851.4671 0.0000 0.0000 34248.3162 -149388.4320 299.0991 -183636.7482 -149291.6962 299.0108 -160.3922 -126.2035 557658.4533 -11.0916 -11.1201 PRESSURE: 1262400 51.255 38.8838 -75.5951 38.884 41.4616 -85.5345 -75.594 -85.5335 179.398 GPRESSURE: 1262400 139.254 -0.638791 -21.2748 99.0762 53.2228 -87.7401 -22.7848 -70.0966 173.717 PRESSAVG: 1262400 3.58256 14.6513 9.77303 14.6514 -70.0169 -12.1682 9.77316 -12.168 43.5097 GPRESSAVG: 1262400 2.8401 13.5571 13.9058 13.358 -69.1373 -12.8919 8.18386 -10.2615 43.3714 TIMING: 1262400 CPU: 3659.11, 0.00289974/step Wall: 3659.11, 0.00289974/step, 3.01058 hours remaining, 210.750000 MB of memory in use. ENERGY: 1262400 766.1072 2092.4400 1952.1833 112.2529 -206362.0003 17995.5175 0.0000 0.0000 34143.6938 -149299.8055 298.1854 -183443.4994 -149205.2607 298.9240 90.7047 122.0643 558160.1956 -7.6416 -7.6420 PRESSURE: 1262600 184.623 -125.887 67.8677 -125.887 -45.7685 -8.92651 67.8682 -8.92738 270.38 GPRESSURE: 1262600 202.431 -73.2406 34.7194 -145.111 -53.584 20.0282 101.186 -74.5929 360.148 PRESSAVG: 1262600 -52.4543 35.8783 23.6237 35.8783 -81.7108 -31.7143 23.6237 -31.7142 132.01 GPRESSAVG: 1262600 -53.7133 34.0659 21.5291 36.6612 -82.0628 -33.0674 25.1861 -32.3668 133.442 TIMING: 1262600 CPU: 3659.68, 0.00288052/step Wall: 3659.68, 0.00288052/step, 2.99046 hours remaining, 210.875000 MB of memory in use. ENERGY: 1262600 745.8314 2063.9084 1912.7878 111.4753 -206078.1942 17826.4143 0.0000 0.0000 34113.8909 -149303.8861 297.9251 -183417.7770 -149204.2656 299.0670 136.4116 169.6648 555178.4397 -0.7184 -0.7779 PRESSURE: 1262800 -87.2515 -107.906 -136.562 -107.906 -167.59 129.067 -136.562 129.066 -89.7457 GPRESSURE: 1262800 -55.4922 -125.63 -139.68 -14.4466 -140.07 38.2276 -43.559 147.935 -43.9585 PRESSAVG: 1262800 41.6955 -51.2742 -22.474 -51.2742 -87.5449 16.0185 -22.474 16.0184 87.0729 GPRESSAVG: 1262800 42.7983 -48.8285 -22.5905 -52.5901 -87.3698 15.2375 -22.996 15.5199 85.92 TIMING: 1262800 CPU: 3660.26, 0.00288689/step Wall: 3660.26, 0.00288689/step, 2.99691 hours remaining, 210.875000 MB of memory in use. ENERGY: 1262800 777.9440 2107.2170 1932.8372 125.2985 -205910.7475 17710.3347 0.0000 0.0000 34081.7937 -149175.3224 297.6448 -183257.1161 -149074.1058 298.9090 -114.8624 -79.8403 557145.2539 13.7412 13.7828 PRESSURE: 1263000 -149.045 -58.7018 51.4018 -58.7025 -197.863 17.2773 51.4024 17.2769 -187.845 GPRESSURE: 1263000 -86.2291 -74.4125 -26.8375 -22.4392 -243.667 75.2629 86.7908 56.2973 -103.787 PRESSAVG: 1263000 31.9511 5.66451 -9.95059 5.66451 7.86864 -38.601 -9.95058 -38.6011 -10.4641 GPRESSAVG: 1263000 32.7283 3.9471 -7.06575 10.3474 7.29916 -36.5747 -10.5255 -40.6462 -10.5605 TIMING: 1263000 CPU: 3660.84, 0.00289236/step Wall: 3660.84, 0.00289236/step, 3.00243 hours remaining, 210.875000 MB of memory in use. ENERGY: 1263000 763.4340 2151.1670 1928.0280 112.0865 -205935.7457 17511.8388 0.0000 0.0000 34378.8100 -149090.3814 300.2387 -183469.1913 -148994.4419 299.3989 -178.2508 -144.5611 557324.5421 9.7852 9.8223 PRESSURE: 1263200 67.7195 21.5888 123.648 21.5885 134.353 -111.149 123.648 -111.149 172.351 GPRESSURE: 1263200 80.6346 -30.5455 99.6711 -2.38674 188.989 23.5119 144.862 -162.851 204.865 PRESSAVG: 1263200 -43.3999 -14.3435 0.782492 -14.3435 50.1949 -7.66565 0.782442 -7.66562 47.6697 GPRESSAVG: 1263200 -43.251 -13.4232 -2.20785 -17.0539 50.1368 -8.13623 0.99484 -4.22138 47.6794 TIMING: 1263200 CPU: 3661.42, 0.00290793/step Wall: 3661.42, 0.00290793/step, 3.01843 hours remaining, 211.074219 MB of memory in use. ENERGY: 1263200 713.1342 2121.5955 1937.2975 117.7307 -206104.3691 17874.0828 0.0000 0.0000 34251.3116 -149089.2169 299.1252 -183340.5285 -148984.7021 299.8779 124.8078 158.1631 558672.0565 18.1549 18.1884 PRESSURE: 1263400 23.3849 187.951 -62.1848 187.951 -15.0458 122.896 -62.1854 122.897 -78.4329 GPRESSURE: 1263400 55.5493 42.9164 -97.1299 266.02 31.6473 102.541 -65.9227 166.786 -58.659 PRESSAVG: 1263400 6.14209 -21.2942 15.81 -21.2941 -9.99128 -12.2726 15.81 -12.2726 -7.90674 GPRESSAVG: 1263400 5.66397 -22.7644 17.5583 -20.7976 -9.27792 -13.2278 15.5014 -14.8813 -8.14343 TIMING: 1263400 CPU: 3662, 0.00291384/step Wall: 3662, 0.00291384/step, 3.02441 hours remaining, 211.074219 MB of memory in use. ENERGY: 1263400 767.4273 2093.5639 1915.8178 112.2824 -206003.3534 17724.2573 0.0000 0.0000 34278.0727 -149111.9320 299.3589 -183390.0046 -149013.2499 299.2738 -23.3646 9.5125 556752.9961 -3.9186 -3.9191 PRESSURE: 1263600 -87.7836 45.2517 74.9154 45.2518 -384.583 190.125 74.9154 190.124 -131.621 GPRESSURE: 1263600 -85.906 -1.43085 97.8335 106.584 -290.974 269.947 57.629 187.768 -138.806 PRESSAVG: 1263600 15.8952 21.2507 0.00741592 21.2506 16.8384 29.4666 0.00736307 29.4667 -18.3804 GPRESSAVG: 1263600 15.3731 22.6924 -0.780847 20.6587 16.7258 30.3288 0.557644 31.1421 -18.0815 TIMING: 1263600 CPU: 3662.58, 0.00290621/step Wall: 3662.58, 0.00290621/step, 3.01633 hours remaining, 211.074219 MB of memory in use. ENERGY: 1263600 741.4953 2133.8483 1931.4047 102.1175 -205970.2088 17409.5850 0.0000 0.0000 34325.2163 -149326.5416 299.7707 -183651.7579 -149220.9630 298.8751 -201.3292 -171.8953 557598.5350 4.7844 4.6725 PRESSURE: 1263800 -356.12 -120.848 -71.0606 -120.847 38.1624 -7.18299 -71.0599 -7.18504 -94.8297 GPRESSURE: 1263800 -276.656 0.928924 -7.39021 -193.526 50.1836 -23.5328 -59.5374 -111.472 -90.9407 PRESSAVG: 1263800 -68.7352 -22.5918 22.3243 -22.5919 -37.0508 32.6092 22.3243 32.6091 32.2278 GPRESSAVG: 1263800 -68.4136 -22.6133 20.2501 -20.7237 -36.9192 33.1472 23.3646 31.2831 31.6967 TIMING: 1263800 CPU: 3663.17, 0.00294149/step Wall: 3663.17, 0.00294149/step, 3.05278 hours remaining, 211.074219 MB of memory in use. ENERGY: 1263800 770.8568 2119.3403 1889.1763 110.4546 -206506.9199 17869.5230 0.0000 0.0000 34103.8024 -149643.7664 297.8370 -183747.5688 -149541.6640 299.0777 -137.5956 -105.8043 558826.9069 -24.5194 -24.5453 PRESSURE: 1264000 -234.704 -31.5036 144.05 -31.5037 -535.66 236.208 144.05 236.209 -216.277 GPRESSURE: 1264000 -200.898 -134.527 131.428 46.8812 -473.839 251.318 171.733 222.086 -218.087 PRESSAVG: 1264000 2.90089 -10.9291 -20.3744 -10.9291 -46.6247 50.2019 -20.3744 50.2019 0.425502 GPRESSAVG: 1264000 3.3572 -10.2777 -14.7326 -11.5718 -46.5492 49.8417 -23.7209 51.4555 0.659196 TIMING: 1264000 CPU: 3663.75, 0.00290432/step Wall: 3663.75, 0.00290432/step, 3.01404 hours remaining, 211.074219 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: 1264000 765.1546 2090.4964 1900.7117 105.2474 -206184.6021 17597.1654 0.0000 0.0000 34150.9507 -149574.8759 298.2487 -183725.8266 -149486.1427 298.4862 -328.8804 -297.6077 558665.1910 -14.4328 -14.1776 PRESSURE: 1264200 -132.241 161.277 94.0361 161.277 41.5757 -34.0401 94.0368 -34.04 65.3887 GPRESSURE: 1264200 -82.4092 85.127 60.2021 101.15 81.0146 43.3556 20.0021 -17.3641 76.0858 PRESSAVG: 1264200 26.6004 -19.7277 14.1551 -19.7277 10.7812 -1.98712 14.1552 -1.98722 -28.4679 GPRESSAVG: 1264200 26.7405 -20.6739 11.0959 -20.3595 10.5842 -4.22648 15.7899 -0.997184 -27.9269 TIMING: 1264200 CPU: 3664.33, 0.0029068/step Wall: 3664.33, 0.0029068/step, 3.01645 hours remaining, 211.074219 MB of memory in use. ENERGY: 1264200 745.8888 2088.8752 1919.8174 108.5241 -206637.7435 18012.8610 0.0000 0.0000 34414.9046 -149346.8725 300.5539 -183761.7770 -149259.7265 298.9687 -8.4256 24.8970 557196.5689 2.9712 3.1326 LDB: ============= START OF LOAD BALANCING ============== 3667.72 LDB: ============== END OF LOAD BALANCING =============== 3667.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3667.72 LDB: ============= START OF LOAD BALANCING ============== 3668.02 LDB: Largest compute 4822 load 0.024646 is 20.9% of average load 0.117950 LDB: Average compute 0.001709 is 1.4% of average load 0.117950 LDB: TIME 3668.02 LOAD: AVG 0.11795 MAX 0.184205 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.359 MB LDB: TIME 3668.02 LOAD: AVG 0.11795 MAX 0.184205 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.359 MB LDB: TIME 3668.02 LOAD: AVG 0.11795 MAX 0.184205 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.359 MB LDB: ============== END OF LOAD BALANCING =============== 3668.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3668.02 PRESSURE: 1264400 -88.3969 -94.0271 29.6493 -94.028 -1.01427 -131.957 29.6488 -131.956 -49.568 GPRESSURE: 1264400 -82.4172 -95.492 -50.7271 -140.271 4.95094 -76.3495 18.8686 -130.446 15.0852 PRESSAVG: 1264400 -24.6958 -30.8751 25.4226 -30.8752 1.3579 -20.3716 25.4225 -20.3717 65.2902 GPRESSAVG: 1264400 -25.5678 -32.5217 24.463 -31.4173 3.24788 -17.2199 27.007 -23.1546 63.891 TIMING: 1264400 CPU: 3664.93, 0.00297684/step Wall: 3664.93, 0.00297684/step, 3.08897 hours remaining, 208.828125 MB of memory in use. ENERGY: 1264400 746.4656 2045.1589 1942.4101 109.0817 -206215.8569 17844.3306 0.0000 0.0000 34041.5830 -149486.8271 297.2936 -183528.4101 -149389.0527 299.1539 -46.3264 -20.7937 557858.7710 13.9841 13.8570 PRESSURE: 1264600 -124.224 -96.7461 39.4967 -96.7476 31.9453 -48.8531 39.4985 -48.8532 93.571 GPRESSURE: 1264600 -76.1292 -140.441 64.1111 -107.164 76.8541 -43.4147 -42.0238 -17.6889 109.048 PRESSAVG: 1264600 -51.7955 -27.0176 -28.0175 -27.0175 54.1912 23.4266 -28.0174 23.4266 -3.04049 GPRESSAVG: 1264600 -51.3292 -24.6214 -25.4884 -26.3011 53.1673 23.5833 -30.2322 22.4055 -2.24798 TIMING: 1264600 CPU: 3665.51, 0.00292382/step Wall: 3665.51, 0.00292382/step, 3.03379 hours remaining, 208.828125 MB of memory in use. ENERGY: 1264600 741.7322 2075.8503 1950.9666 106.5678 -206302.1975 17819.6544 0.0000 0.0000 34133.0998 -149474.3266 298.0928 -183607.4263 -149377.0178 298.5414 0.4309 36.5911 558133.5242 -0.2149 -0.1366 PRESSURE: 1264800 150.443 18.9898 39.9984 18.9895 86.1715 -5.15467 39.9993 -5.15495 -28.7361 GPRESSURE: 1264800 174.93 -64.7745 41.8141 166.439 128.761 -102.922 11.5914 -16.8844 2.34363 PRESSAVG: 1264800 -35.1582 -58.0115 -5.38907 -58.0115 44.9429 -27.3088 -5.3891 -27.3089 -44.5928 GPRESSAVG: 1264800 -34.7154 -59.2325 -7.18695 -56.8301 43.371 -27.8003 -3.28129 -25.0582 -43.5417 TIMING: 1264800 CPU: 3666.09, 0.0028908/step Wall: 3666.09, 0.0028908/step, 2.99936 hours remaining, 208.828125 MB of memory in use. ENERGY: 1264800 733.3972 2075.3358 1939.6049 117.6267 -206383.5604 17955.8526 0.0000 0.0000 34090.9344 -149470.8089 297.7246 -183561.7433 -149379.1970 297.9408 69.2927 102.0116 557260.5161 -11.6027 -11.6287 PRESSURE: 1265000 -157.183 21.4091 -94.9621 21.4091 -139.174 80.0799 -94.9617 80.0797 50.6455 GPRESSURE: 1265000 -188.599 -93.9814 -55.5135 79.652 -60.977 39.9848 -108.828 110.818 100.204 PRESSAVG: 1265000 -14.3998 -27.7751 23.3969 -27.7751 15.0466 41.5535 23.3969 41.5536 24.3137 GPRESSAVG: 1265000 -14.5886 -26.7102 22.0601 -28.4685 16.2825 40.2771 23.8077 40.2163 22.8877 TIMING: 1265000 CPU: 3666.67, 0.00290174/step Wall: 3666.67, 0.00290174/step, 3.01055 hours remaining, 208.828125 MB of memory in use. ENERGY: 1265000 753.2404 2099.4302 1941.9460 114.2024 -206574.9729 17943.6569 0.0000 0.0000 34225.3415 -149497.1555 298.8984 -183722.4970 -149405.4353 297.6557 -81.9038 -49.7907 557852.1442 8.3202 8.1939 PRESSURE: 1265200 128.561 80.3809 -70.3093 80.3791 117.619 -93.3248 -70.3102 -93.3261 221.669 GPRESSURE: 1265200 211.468 33.6821 -67.849 99.7101 38.6928 -101.053 26.0337 -109.274 312.502 PRESSAVG: 1265200 23.6057 0.327289 -22.2573 0.327264 -53.4108 0.530277 -22.2574 0.530164 3.52769 GPRESSAVG: 1265200 23.9994 -0.727793 -20.5701 -0.139596 -54.2708 1.60937 -22.4582 2.40134 4.19142 TIMING: 1265200 CPU: 3667.25, 0.00288847/step Wall: 3667.25, 0.00288847/step, 2.99663 hours remaining, 208.828125 MB of memory in use. ENERGY: 1265200 729.0877 2079.0413 1926.9693 120.2043 -206433.1163 17882.7404 0.0000 0.0000 34390.1081 -149304.9651 300.3374 -183695.0731 -149201.2193 299.0849 155.9495 187.5542 556422.4890 -8.7592 -8.6933 PRESSURE: 1265400 -59.451 28.6387 63.8733 28.638 -107.147 22.4276 63.8736 22.4267 100.383 GPRESSURE: 1265400 -36.778 -10.9731 106.595 -21.5616 -99.5333 31.304 32.8912 102.829 166.742 PRESSAVG: 1265400 -15.3103 -2.18302 6.63794 -2.18302 -38.2517 -25.5693 6.63792 -25.5692 78.787 GPRESSAVG: 1265400 -14.9492 -3.19076 7.08624 -2.16612 -38.5479 -26.6062 5.82535 -26.3594 78.9513 TIMING: 1265400 CPU: 3667.83, 0.00291356/step Wall: 3667.83, 0.00291356/step, 3.0225 hours remaining, 208.828125 MB of memory in use. ENERGY: 1265400 697.8694 2139.9678 1967.4026 115.9874 -206368.0687 17858.9747 0.0000 0.0000 34134.6802 -149453.1865 298.1067 -183587.8668 -149356.5870 298.1253 -22.0719 10.1434 557904.6498 8.4083 8.4848 PRESSURE: 1265600 -43.588 -51.762 112.284 -51.7607 42.8026 58.2338 112.284 58.2329 -149.569 GPRESSURE: 1265600 -10.6117 -70.4802 78.4093 39.5777 73.8952 116.486 141.207 2.00929 -110.112 PRESSAVG: 1265600 13.1268 -36.6369 33.9012 -36.637 43.675 -31.4434 33.9011 -31.4433 -45.3949 GPRESSAVG: 1265600 12.5756 -34.9038 33.7564 -36.1814 44.1858 -32.5608 33.128 -30.7725 -45.3102 TIMING: 1265600 CPU: 3668.42, 0.00292751/step Wall: 3668.42, 0.00292751/step, 3.03681 hours remaining, 208.828125 MB of memory in use. ENERGY: 1265600 743.1717 2105.4782 1958.3556 108.2666 -206428.2736 17907.6835 0.0000 0.0000 34109.7635 -149495.5545 297.8890 -183605.3180 -149400.3993 297.6354 -50.1182 -15.6095 558275.0063 3.8023 3.8171 PRESSURE: 1265800 -107.05 77.3857 147.789 77.3863 -27.3541 -53.9297 147.788 -53.9295 -303.624 GPRESSURE: 1265800 -55.2301 -37.4003 107.436 63.6686 -36.0726 -103.404 64.9812 -29.065 -244.493 PRESSAVG: 1265800 -20.2906 27.8034 24.4619 27.8035 58.5217 -33.6706 24.4618 -33.6707 -32.794 GPRESSAVG: 1265800 -18.5161 27.7178 22.6604 26.5473 58.6029 -32.294 25.1452 -32.1817 -34.1805 TIMING: 1265800 CPU: 3669, 0.00293078/step Wall: 3669, 0.00293077/step, 3.04003 hours remaining, 208.828125 MB of memory in use. ENERGY: 1265800 725.7328 2141.3986 1916.0778 98.7566 -206251.9557 17748.6166 0.0000 0.0000 34090.9317 -149530.4416 297.7246 -183621.3733 -149430.0246 298.2591 -146.0093 -111.9319 558988.2613 1.8124 1.9688 PRESSURE: 1266000 -224.384 -114.83 -84.5271 -114.831 165.767 -11.4877 -84.5269 -11.4871 -2.82872 GPRESSURE: 1266000 -184.663 -95.3292 -85.0032 -119.187 180.561 -50.2093 17.1812 23.3848 38.9848 PRESSAVG: 1266000 -22.2442 -4.99723 4.87567 -4.99726 17.705 -58.9617 4.87567 -58.9616 -31.5656 GPRESSAVG: 1266000 -23.1201 -5.52155 4.32556 -3.7866 17.177 -59.9581 4.8057 -60.0289 -30.0458 TIMING: 1266000 CPU: 3669.59, 0.00290275/step Wall: 3669.59, 0.00290275/step, 3.0108 hours remaining, 208.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1266000 746.5325 2111.7711 1956.3817 106.4624 -206640.9962 18027.6529 0.0000 0.0000 34024.0823 -149668.1134 297.1408 -183692.1956 -149582.0399 297.8418 -20.4820 11.6276 559509.3374 -12.0349 -11.9963 PRESSURE: 1266200 -18.5964 42.3196 -28.1552 42.3213 -234.956 -69.4356 -28.1533 -69.4371 -150.036 GPRESSURE: 1266200 -1.76907 57.6811 -109.703 117.734 -183.355 -98.9173 18.536 -78.4794 -126.054 PRESSAVG: 1266200 -18.6304 -1.16249 -52.0691 -1.16246 -21.6828 -9.1924 -52.0691 -9.19249 27.9848 GPRESSAVG: 1266200 -19.9286 1.26837 -50.1684 -2.04503 -20.5603 -7.10693 -52.7186 -9.64016 28.3934 TIMING: 1266200 CPU: 3670.16, 0.00289349/step Wall: 3670.16, 0.00289349/step, 3.00103 hours remaining, 208.828125 MB of memory in use. ENERGY: 1266200 728.8873 2107.2761 1951.9613 110.0337 -206136.2764 17664.7459 0.0000 0.0000 33864.7644 -149708.6076 295.7494 -183573.3720 -149617.1934 296.9764 -134.5297 -103.7259 559119.5921 -4.1094 -4.0318 PRESSURE: 1266400 331.543 -199.924 44.5345 -199.923 213.662 34.4212 44.5339 34.4194 94.4861 GPRESSURE: 1266400 291.496 -93.1372 50.6994 -271.982 245.801 75.6504 32.5532 62.6092 197.175 PRESSAVG: 1266400 -14.1253 -3.02175 -52.4787 -3.02166 -6.67495 -4.60176 -52.4787 -4.60174 0.689965 GPRESSAVG: 1266400 -13.182 -5.12695 -53.228 -2.55928 -9.08623 -5.48335 -52.0986 -5.53109 1.60758 TIMING: 1266400 CPU: 3670.75, 0.00290883/step Wall: 3670.75, 0.00290883/step, 3.01678 hours remaining, 208.828125 MB of memory in use. ENERGY: 1266400 731.8485 2051.8502 1933.3100 112.1185 -206757.4726 18194.3749 0.0000 0.0000 34071.2109 -149662.7596 297.5524 -183733.9706 -149564.2360 297.9770 213.2301 244.8240 556878.0223 -6.7034 -6.8869 PRESSURE: 1266600 192.357 32.5351 24.4197 32.5349 261.627 -98.3424 24.4191 -98.3417 253.597 GPRESSURE: 1266600 219.915 22.6516 -51.6265 84.4867 323.415 -58.4887 8.54869 -50.2553 261.728 PRESSAVG: 1266600 4.53766 -56.9776 30.7282 -56.9776 -11.3505 -65.6944 30.7282 -65.6944 45.3272 GPRESSAVG: 1266600 4.65632 -55.2915 31.2904 -56.7487 -10.0669 -65.7806 30.1922 -63.3544 43.7306 TIMING: 1266600 CPU: 3671.32, 0.0028767/step Wall: 3671.32, 0.0028767/step, 2.9833 hours remaining, 208.828125 MB of memory in use. ENERGY: 1266600 720.5028 2061.7915 1931.3305 105.7445 -207074.0047 18184.0762 0.0000 0.0000 34259.9307 -149810.6286 299.2005 -184070.5593 -149712.0270 297.9503 235.8607 268.3525 556692.3693 12.8381 12.7734 PRESSURE: 1266800 -62.4376 0.722829 90.2045 0.723331 -113.932 -105.235 90.2047 -105.236 -167.71 GPRESSURE: 1266800 -38.372 -16.1988 98.4791 19.1129 -74.9289 -142.75 49.336 -79.2804 -139.714 PRESSAVG: 1266800 7.42156 9.66335 -45.5323 9.66335 -0.0190248 -64.6394 -45.5323 -64.6395 2.22612 GPRESSAVG: 1266800 6.85039 7.22797 -46.3076 10.173 1.34944 -66.3017 -45.5935 -64.7968 1.10623 TIMING: 1266800 CPU: 3671.9, 0.00288723/step Wall: 3671.9, 0.00288723/step, 2.99405 hours remaining, 208.828125 MB of memory in use. ENERGY: 1266800 705.8735 2076.8994 1934.6519 106.8422 -206523.4064 17709.7515 0.0000 0.0000 34199.9718 -149789.4160 298.6769 -183989.3878 -149688.2756 297.5045 -114.6930 -84.3383 557056.6025 3.2096 3.1020 PRESSURE: 1267000 -115.545 -92.6199 5.71927 -92.6199 -154.128 -185.761 5.71904 -185.761 -480.575 GPRESSURE: 1267000 -98.8539 -36.8806 -32.62 -70.0631 -104.164 -130.486 28.6673 -176.292 -460.997 PRESSAVG: 1267000 12.5174 -24.3958 30.8773 -24.3958 -89.9283 -56.878 30.8773 -56.878 30.4589 GPRESSAVG: 1267000 12.5447 -22.8026 31.3825 -27.022 -91.4766 -54.8094 30.592 -58.0209 31.3031 TIMING: 1267000 CPU: 3672.48, 0.00290957/step Wall: 3672.48, 0.00290957/step, 3.01706 hours remaining, 208.828125 MB of memory in use. ENERGY: 1267000 764.1061 2082.2946 1933.7611 106.9941 -206036.2705 17568.5057 0.0000 0.0000 34147.4655 -149433.1434 298.2183 -183580.6089 -149334.4854 298.0365 -250.0830 -221.3382 558397.5583 -15.6506 -15.8762 PRESSURE: 1267200 49.3689 85.2103 15.6116 85.2098 -324.772 -38.0504 15.6101 -38.051 -153.786 GPRESSURE: 1267200 99.0199 57.7458 98.1266 117.147 -305.685 -31.9411 15.4812 -69.9859 -137.986 PRESSAVG: 1267200 95.4974 -29.4284 24.4087 -29.4284 -134.278 -90.7238 24.4088 -90.7238 32.9462 GPRESSAVG: 1267200 97.3471 -30.108 26.1817 -27.3082 -134.542 -91.8702 24.4385 -90.4909 32.1219 TIMING: 1267200 CPU: 3673.06, 0.00291914/step Wall: 3673.06, 0.00291914/step, 3.02683 hours remaining, 208.828125 MB of memory in use. ENERGY: 1267200 730.0519 2070.2435 1915.7862 100.0960 -205961.4975 17586.7451 0.0000 0.0000 34427.4102 -149131.1646 300.6631 -183558.5748 -149035.2805 299.1828 -143.0631 -114.8837 558640.6492 -1.9450 -1.6910 PRESSURE: 1267400 64.7491 117.347 -51.1498 117.347 77.2616 23.1772 -51.1484 23.1769 195.954 GPRESSURE: 1267400 106.429 138.316 -11.3288 126.989 114.838 112.112 -65.2414 -37.2904 212.55 PRESSAVG: 1267400 93.068 42.5412 -9.83243 42.5411 -69.1046 -34.9624 -9.83248 -34.9623 -15.7068 GPRESSAVG: 1267400 91.6251 42.7005 -10.8242 42.9535 -68.5751 -34.2938 -8.78575 -34.4453 -15.0986 TIMING: 1267400 CPU: 3673.65, 0.00290617/step Wall: 3673.65, 0.00290617/step, 3.01321 hours remaining, 208.828125 MB of memory in use. ENERGY: 1267400 754.8277 2112.0123 1963.3286 119.5107 -206477.6737 18132.6468 0.0000 0.0000 34310.9688 -149084.3789 299.6462 -183395.3477 -148992.6446 299.6467 112.6549 144.6058 557502.0268 2.7522 2.6505 PRESSURE: 1267600 -40.914 -28.8608 -88.7108 -28.8606 109.243 58.8152 -88.7101 58.8163 -135.494 GPRESSURE: 1267600 22.3034 -87.4889 -75.7332 -21.1249 95.1602 47.8871 23.4297 31.472 -77.7722 PRESSAVG: 1267600 72.1741 -8.53282 17.9901 -8.53285 -9.64027 49.7923 17.9903 49.7923 -46.7684 GPRESSAVG: 1267600 71.4667 -8.38665 16.4143 -8.54376 -9.4097 49.0877 18.3832 50.564 -46.2342 TIMING: 1267600 CPU: 3674.22, 0.00289369/step Wall: 3674.22, 0.00289369/step, 3.00011 hours remaining, 208.828125 MB of memory in use. ENERGY: 1267600 714.7140 2135.2587 1958.9901 118.0268 -205616.8171 17567.9747 0.0000 0.0000 34020.4599 -149101.3929 297.1091 -183121.8528 -149014.0303 299.5092 -22.3886 13.2304 556811.2858 5.2551 5.2743 PRESSURE: 1267800 199.342 12.2633 -84.7584 12.2637 -229.448 -9.21575 -84.7567 -9.21647 3.42621 GPRESSURE: 1267800 233.039 -22.4099 -18.8353 -17.661 -175.718 -24.9054 -160.007 -8.84524 16.7487 PRESSAVG: 1267800 5.08341 32.115 3.95909 32.1149 17.9223 8.94711 3.95907 8.94722 -13.3025 GPRESSAVG: 1267800 5.94518 33.7316 4.4768 30.5411 17.3874 8.29763 3.62762 10.0306 -13.0691 TIMING: 1267800 CPU: 3674.8, 0.00289389/step Wall: 3674.8, 0.00289389/step, 3.00016 hours remaining, 208.828125 MB of memory in use. ENERGY: 1267800 749.6945 2100.2832 1935.0044 107.6307 -206108.7084 17866.1521 0.0000 0.0000 34308.7967 -149041.1468 299.6273 -183349.9435 -148942.8475 299.0590 -8.8933 24.6898 558025.3270 3.2344 3.4211 PRESSURE: 1268000 -73.3488 36.7106 -60.6379 36.7102 -164.151 -158.56 -60.6367 -158.559 83.104 GPRESSURE: 1268000 -0.169743 130.535 -7.38356 21.4423 -119.92 -200.365 -52.095 -125.951 62.5243 PRESSAVG: 1268000 4.02208 -3.95851 -26.7209 -3.95851 -47.5528 7.97707 -26.7208 7.97707 45.2275 GPRESSAVG: 1268000 4.72014 -5.35257 -27.537 -1.66058 -47.4727 7.20603 -28.2582 7.9104 44.2572 TIMING: 1268000 CPU: 3675.38, 0.00289759/step Wall: 3675.38, 0.00289759/step, 3.00383 hours remaining, 208.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1268000 742.2203 2131.7676 1908.9952 110.0226 -206009.8351 17803.5299 0.0000 0.0000 34104.5798 -149208.7196 297.8438 -183313.2994 -149113.5472 298.9553 -51.4652 -19.1886 557853.6072 0.5656 0.5015 PRESSURE: 1268200 -67.9103 140.501 59.1393 140.502 -347.937 182.182 59.1385 182.183 -190.572 GPRESSURE: 1268200 -44.885 54.4779 61.9609 172.697 -302.194 161.911 84.8229 116.306 -152.994 PRESSAVG: 1268200 5.60648 55.2639 -10.5858 55.2639 26.1523 -0.445565 -10.5859 -0.445587 -19.2225 GPRESSAVG: 1268200 3.49202 54.0642 -7.54554 57.6568 27.2163 2.0951 -10.8966 -0.457517 -18.2722 TIMING: 1268200 CPU: 3675.96, 0.00291096/step Wall: 3675.96, 0.00291096/step, 3.01753 hours remaining, 209.027344 MB of memory in use. ENERGY: 1268200 760.1254 2069.3420 1905.6752 99.8039 -205795.3911 17436.4921 0.0000 0.0000 34277.7186 -149246.2339 299.3558 -183523.9525 -149153.6353 299.2458 -202.1397 -166.6912 557513.7827 4.1788 4.1454 LDB: ============= START OF LOAD BALANCING ============== 3679.35 LDB: ============== END OF LOAD BALANCING =============== 3679.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3679.35 LDB: ============= START OF LOAD BALANCING ============== 3679.65 LDB: Largest compute 4822 load 0.024550 is 20.8% of average load 0.117954 LDB: Average compute 0.001707 is 1.4% of average load 0.117954 LDB: TIME 3679.65 LOAD: AVG 0.117954 MAX 0.187172 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 3679.65 LOAD: AVG 0.117954 MAX 0.187172 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.184 MB LDB: TIME 3679.65 LOAD: AVG 0.117954 MAX 0.187172 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3679.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3679.66 PRESSURE: 1268400 -54.3407 -97.9681 -74.956 -97.9701 -119.073 16.7347 -74.9553 16.7352 -164.452 GPRESSURE: 1268400 -9.14753 -141.956 -130.308 -33.4271 -96.6674 105.688 -21.6016 -50.4312 -123.463 PRESSAVG: 1268400 57.8572 -54.8307 12.6205 -54.8307 -41.4396 -45.6885 12.6204 -45.6884 -15.1572 GPRESSAVG: 1268400 57.6623 -52.556 11.1388 -56.4797 -41.7977 -46.6042 13.9779 -47.0583 -14.6833 TIMING: 1268400 CPU: 3676.56, 0.00297691/step Wall: 3676.56, 0.00297691/step, 3.08573 hours remaining, 208.054688 MB of memory in use. ENERGY: 1268400 708.7639 2125.2063 1899.8499 110.1484 -206303.6020 17754.7379 0.0000 0.0000 34373.1504 -149331.7452 300.1893 -183704.8956 -149243.1078 298.5404 -112.6218 -76.4261 558477.3181 0.4201 0.3938 PRESSURE: 1268600 53.5026 122.51 -85.5553 122.511 -2.69747 -2.61689 -85.5541 -2.61662 -176.55 GPRESSURE: 1268600 98.8047 139.531 -135.529 137.004 9.99123 18.5215 -19.6702 74.9946 -141.502 PRESSAVG: 1268600 -25.5368 35.7054 -40.2266 35.7055 55.291 25.7414 -40.2267 25.7414 3.40132 GPRESSAVG: 1268600 -24.3514 34.8336 -40.1458 35.4601 54.7141 27.259 -40.8301 25.4347 2.43417 TIMING: 1268600 CPU: 3677.14, 0.00291445/step Wall: 3677.14, 0.00291445/step, 3.02083 hours remaining, 208.054688 MB of memory in use. ENERGY: 1268600 760.7626 2095.8185 1914.5783 105.5898 -206309.7984 18000.8349 0.0000 0.0000 34163.6950 -149268.5192 298.3600 -183432.2142 -149180.6788 298.5090 -41.9150 -10.9022 558497.4098 11.0518 10.9323 PRESSURE: 1268800 -48.2296 74.6831 -169.342 74.6835 128.304 73.309 -169.342 73.3078 -263.829 GPRESSURE: 1268800 -67.56 131.153 -223.072 63.6552 117.109 75.2301 -123.819 20.2605 -135.753 PRESSAVG: 1268800 -17.2368 8.16995 -31.5148 8.16996 39.702 5.40847 -31.5148 5.40832 -6.43554 GPRESSAVG: 1268800 -16.4296 8.35541 -32.1391 7.77265 39.4659 3.83319 -30.7094 6.54392 -5.9866 TIMING: 1268800 CPU: 3677.73, 0.00293228/step Wall: 3677.73, 0.00293228/step, 3.03915 hours remaining, 208.054688 MB of memory in use. ENERGY: 1268800 769.7637 2042.6585 1937.4584 104.6206 -205785.7495 17561.9057 0.0000 0.0000 34080.6356 -149288.7070 297.6347 -183369.3426 -149189.8116 298.9149 -61.2515 -28.7349 557905.1189 5.3432 5.6832 PRESSURE: 1269000 111.478 -37.6068 -77.6848 -37.6084 66.9045 -24.5178 -77.6836 -24.518 -345.979 GPRESSURE: 1269000 145.428 -38.6744 -59.4097 5.66139 89.4491 -145.946 -41.6087 10.1834 -293.482 PRESSAVG: 1269000 -11.2212 18.7541 -60.7571 18.7541 31.7701 14.6999 -60.7571 14.7 -51.4491 GPRESSAVG: 1269000 -11.7074 15.9404 -61.3187 21.7034 31.6165 15.0651 -62.0761 13.3008 -50.6791 TIMING: 1269000 CPU: 3678.31, 0.00291766/step Wall: 3678.31, 0.00291766/step, 3.02383 hours remaining, 208.054688 MB of memory in use. ENERGY: 1269000 726.8685 2118.4599 1953.7088 113.4661 -206019.7616 17681.1262 0.0000 0.0000 34088.5854 -149337.5469 297.7041 -183426.1322 -149238.5601 298.7697 -55.8653 -19.5352 558983.7434 -10.3001 -10.2567 PRESSURE: 1269200 -65.2075 111.171 -59.6524 111.172 -91.4184 -137.628 -59.6526 -137.627 -86.9203 GPRESSURE: 1269200 -31.5773 22.2339 -85.017 127.781 -68.5732 -90.5199 -42.2751 -268.068 -58.6386 PRESSAVG: 1269200 20.1693 31.5594 -29.3007 31.5594 4.41691 -7.09301 -29.3007 -7.09305 -0.612613 GPRESSAVG: 1269200 20.2666 33.6251 -28.716 29.09 5.10144 -6.50623 -28.4302 -4.83916 -1.48541 TIMING: 1269200 CPU: 3678.9, 0.00292093/step Wall: 3678.9, 0.00292093/step, 3.02706 hours remaining, 208.054688 MB of memory in use. ENERGY: 1269200 739.9954 2102.0395 1927.6699 114.3787 -205956.4837 17687.2931 0.0000 0.0000 34243.2196 -149141.8874 299.0546 -183385.1070 -149048.0799 299.0342 -81.1820 -52.9297 558199.9814 7.9912 7.9609 PRESSURE: 1269400 -3.38495 75.4284 5.8011 75.429 26.8247 -60.9549 5.80236 -60.9559 -210.753 GPRESSURE: 1269400 51.9204 26.8615 23.238 108.654 46.3689 -39.2198 16.3586 -24.957 -187.253 PRESSAVG: 1269400 13.7788 47.5843 15.4254 47.5844 18.1311 -11.7187 15.4254 -11.7188 2.67395 GPRESSAVG: 1269400 12.8648 47.9457 16.05 47.6061 17.9438 -14.4342 13.3742 -13.405 3.91538 TIMING: 1269400 CPU: 3679.48, 0.00289109/step Wall: 3679.48, 0.00289108/step, 2.99597 hours remaining, 208.054688 MB of memory in use. ENERGY: 1269400 739.4482 2106.7184 1941.5482 120.0283 -206172.5258 17674.7548 0.0000 0.0000 34308.8155 -149281.2124 299.6274 -183590.0279 -149187.0392 298.9836 -62.4379 -29.6546 557123.0185 11.5280 11.5747 PRESSURE: 1269600 -177.224 1.91827 -67.1039 1.91829 -262.292 8.5235 -67.1028 8.52407 -293.851 GPRESSURE: 1269600 -209.223 37.8903 -13.8577 -47.3689 -173.612 40.953 -46.4461 31.8885 -258.738 PRESSAVG: 1269600 82.4942 67.0933 -27.9878 67.0933 -41.2557 -75.8555 -27.9878 -75.8554 -21.0841 GPRESSAVG: 1269600 83.8613 66.2976 -29.6833 66.8039 -40.9785 -73.9165 -26.074 -74.9087 -22.1298 TIMING: 1269600 CPU: 3680.06, 0.00290215/step Wall: 3680.06, 0.00290215/step, 3.00728 hours remaining, 208.242188 MB of memory in use. ENERGY: 1269600 772.6413 2076.2249 1931.5130 106.8495 -205795.1132 17525.9039 0.0000 0.0000 34173.2887 -149208.6919 298.4438 -183381.9806 -149103.3941 299.4250 -244.4558 -213.8579 559096.6826 6.7182 6.9177 PRESSURE: 1269800 -154.407 -118.57 -163.729 -118.57 107.706 -175.02 -163.729 -175.022 90.9981 GPRESSURE: 1269800 -92.6085 -176.722 -155.545 -152.632 128.403 -170.702 -224.627 -127.555 116.42 PRESSAVG: 1269800 50.0552 -15.229 -47.5346 -15.2291 10.6376 -13.8154 -47.5345 -13.8153 -31.1993 GPRESSAVG: 1269800 50.2194 -14.7441 -45.7086 -16.3303 9.74084 -13.5592 -48.0972 -14.7763 -30.7101 TIMING: 1269800 CPU: 3680.64, 0.00290244/step Wall: 3680.64, 0.00290244/step, 3.00741 hours remaining, 208.242188 MB of memory in use. ENERGY: 1269800 785.5174 2074.3399 1953.2939 109.8428 -206360.7706 17874.7593 0.0000 0.0000 34155.2352 -149407.7821 298.2862 -183563.0173 -149310.8240 299.3963 14.7657 50.7381 557181.0582 9.8311 9.7501 PRESSURE: 1270000 40.8946 29.2497 -16.9066 29.2484 -74.2158 -77.909 -16.9059 -77.9088 -70.049 GPRESSURE: 1270000 34.2529 32.3019 21.6224 51.4124 -45.1489 -195.618 -23.9701 26.4519 13.2536 PRESSAVG: 1270000 -12.4803 53.94 -21.9825 53.9399 3.74976 -54.1458 -21.9825 -54.1457 -4.70476 GPRESSAVG: 1270000 -12.5267 54.5515 -23.4095 55.1711 4.82949 -54.4793 -21.8707 -55.3473 -5.64429 TIMING: 1270000 CPU: 3681.22, 0.00292102/step Wall: 3681.22, 0.00292102/step, 3.0265 hours remaining, 208.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1270000 775.7132 2074.3674 1950.9388 114.7080 -206403.9817 17871.8809 0.0000 0.0000 34397.0786 -149219.2949 300.3982 -183616.3735 -149123.5525 299.8156 -34.4567 0.7859 557771.7659 -4.4784 -4.4472 PRESSURE: 1270200 -99.2981 -71.1778 107.147 -71.176 -105.765 -219.352 107.148 -219.353 -84.1674 GPRESSURE: 1270200 -23.3121 -30.6208 176.407 -52.7684 -81.851 -167.897 82.5446 -190.136 -87.776 PRESSAVG: 1270200 8.13338 -34.5191 -21.0478 -34.519 -27.1803 -60.968 -21.0477 -60.9679 -16.6227 GPRESSAVG: 1270200 8.53056 -34.903 -21.2584 -33.2648 -28.1581 -60.3306 -20.1416 -58.9191 -15.6793 TIMING: 1270200 CPU: 3681.8, 0.00290265/step Wall: 3681.8, 0.00290265/step, 3.00731 hours remaining, 208.242188 MB of memory in use. ENERGY: 1270200 767.9832 2071.9847 1941.4629 114.7881 -206009.4552 17557.1019 0.0000 0.0000 34368.4509 -149187.6836 300.1482 -183556.1344 -149087.8252 300.0300 -96.4103 -64.3130 557111.7799 -11.8899 -11.7690 PRESSURE: 1270400 -46.6603 143.562 27.9472 143.562 -36.4596 142.92 27.9458 142.918 -173.308 GPRESSURE: 1270400 -3.27674 128.18 48.9039 125.066 -29.6929 142.484 15.8057 206.775 -132.961 PRESSAVG: 1270400 46.6826 -10.8176 -2.13693 -10.8176 -60.9716 -40.9684 -2.13698 -40.9684 -4.58672 GPRESSAVG: 1270400 46.9343 -9.43464 -1.51613 -12.5272 -60.8794 -41.5265 -3.08937 -39.5296 -5.04025 TIMING: 1270400 CPU: 3682.38, 0.00289854/step Wall: 3682.38, 0.00289854/step, 3.00288 hours remaining, 208.242188 MB of memory in use. ENERGY: 1270400 778.1966 2152.5459 1938.0403 105.1734 -206053.6821 17731.4450 0.0000 0.0000 34296.0784 -149052.2023 299.5162 -183348.2807 -148955.3316 299.7039 -85.4760 -55.3103 558437.1780 -6.2919 -6.3285 PRESSURE: 1270600 54.7616 -99.9308 -89.1332 -99.9323 -191.733 47.2982 -89.1332 47.2978 -352.182 GPRESSURE: 1270600 110.389 -133.893 -52.2379 -148.565 -186.459 105.52 -152.184 -8.91828 -312.136 PRESSAVG: 1270600 45.2073 -16.0717 -43.6325 -16.0716 47.2282 -42.5499 -43.6326 -42.5499 -19.2229 GPRESSAVG: 1270600 44.86 -17.4698 -44.1977 -16.2269 47.6702 -41.7428 -43.7252 -43.9114 -19.4156 TIMING: 1270600 CPU: 3682.96, 0.00291569/step Wall: 3682.96, 0.00291569/step, 3.02049 hours remaining, 208.242188 MB of memory in use. ENERGY: 1270600 767.3617 2104.3554 1951.0280 107.9285 -205900.3496 17631.3201 0.0000 0.0000 34191.6057 -149146.7503 298.6038 -183338.3560 -149045.2411 299.2072 -163.0512 -129.4019 558334.0639 24.4042 24.3715 PRESSURE: 1270800 254.609 68.9394 42.2779 68.9391 -135.547 -25.8155 42.2777 -25.816 -4.38362 GPRESSURE: 1270800 276.47 6.15889 37.8097 11.943 -111.627 -76.6896 32.0741 -64.1368 36.7061 PRESSAVG: 1270800 47.5716 -12.8585 -31.3359 -12.8586 -7.80459 -16.5281 -31.336 -16.5282 -39.6753 GPRESSAVG: 1270800 48.1486 -10.9084 -30.2043 -13.1814 -8.66459 -17.7308 -30.9146 -17.1473 -38.7623 TIMING: 1270800 CPU: 3683.55, 0.00292901/step Wall: 3683.55, 0.00292901/step, 3.03413 hours remaining, 208.242188 MB of memory in use. ENERGY: 1270800 781.1205 2062.4719 1935.6664 113.8247 -206053.2833 17808.8789 0.0000 0.0000 34162.7346 -149188.5863 298.3517 -183351.3209 -149093.7783 299.2452 38.2263 67.1828 556778.3242 0.0306 0.2406 PRESSURE: 1271000 128.209 70.1304 0.664318 70.1317 45.0661 -93.6451 0.664678 -93.6467 153.733 GPRESSURE: 1271000 123.531 12.3471 24.2579 16.7444 71.2254 -97.1326 36.1977 -151.9 229.374 PRESSAVG: 1271000 16.9352 -12.7746 -11.2932 -12.7746 11.1739 -71.6679 -11.2931 -71.6678 14.7468 GPRESSAVG: 1271000 17.2946 -12.6984 -13.2188 -13.4908 12.2747 -70.14 -10.7698 -71.9589 13.1852 TIMING: 1271000 CPU: 3684.13, 0.00291242/step Wall: 3684.13, 0.00291242/step, 3.01679 hours remaining, 208.242188 MB of memory in use. ENERGY: 1271000 753.9877 2108.7501 1920.8213 113.6244 -206438.4048 17958.9403 0.0000 0.0000 34331.4662 -149250.8148 299.8252 -183582.2810 -149151.9515 298.8807 109.0027 141.3767 556964.1336 14.2853 14.2515 PRESSURE: 1271200 -27.5833 -129.178 -14.0177 -129.178 136.429 75.6985 -14.0185 75.6997 48.5242 GPRESSURE: 1271200 34.1855 -220.615 -2.74093 -109.799 127.911 152.926 -93.1644 85.7531 92.4422 PRESSAVG: 1271200 -54.4148 -17.734 29.0116 -17.7339 -12.4213 -4.32485 29.0117 -4.32484 55.5242 GPRESSAVG: 1271200 -54.9751 -20.8691 30.8876 -15.3435 -12.9022 -4.23555 26.1419 -6.4087 56.3678 TIMING: 1271200 CPU: 3684.71, 0.00289801/step Wall: 3684.71, 0.00289801/step, 3.0017 hours remaining, 208.242188 MB of memory in use. ENERGY: 1271200 746.2651 2116.2526 1940.5169 113.9633 -206444.7339 17891.9068 0.0000 0.0000 34322.1951 -149313.6341 299.7443 -183635.8292 -149213.2029 299.0800 52.4568 84.8464 556870.0459 -3.7706 -3.8365 PRESSURE: 1271400 130.561 155.603 56.7782 155.602 -257.77 -15.014 56.7778 -15.0143 -30.4329 GPRESSURE: 1271400 153.663 125.155 79.3103 144.751 -206.682 -28.734 60.0171 -34.6201 -6.04847 PRESSAVG: 1271400 -22.3503 -41.9579 1.84978 -41.9579 34.862 -1.07411 1.84981 -1.07404 -23.4642 GPRESSAVG: 1271400 -22.0208 -39.5086 1.25185 -43.6545 35.3154 -2.49153 4.72991 0.579648 -25.0442 TIMING: 1271400 CPU: 3685.29, 0.0029036/step Wall: 3685.29, 0.0029036/step, 3.00732 hours remaining, 208.242188 MB of memory in use. ENERGY: 1271400 762.3123 2034.9081 1938.4953 116.5419 -206449.9030 17860.8563 0.0000 0.0000 34152.3403 -149584.4489 298.2609 -183736.7891 -149477.4208 298.9455 -52.5474 -19.6890 555781.5255 -3.6508 -3.9165 PRESSURE: 1271600 -311.305 51.9858 144.704 51.9854 -313.585 81.7329 144.705 81.7329 -166.734 GPRESSURE: 1271600 -320.532 75.3264 76.15 6.98409 -221.948 151.169 179.329 58.3632 -154.054 PRESSAVG: 1271600 12.1948 8.39469 12.1214 8.39475 -31.4579 -16.4391 12.1215 -16.4392 -34.4041 GPRESSAVG: 1271600 10.6233 8.07378 10.026 9.914 -32.4309 -15.9679 11.7199 -15.914 -32.6493 TIMING: 1271600 CPU: 3685.87, 0.00291059/step Wall: 3685.87, 0.00291059/step, 3.0144 hours remaining, 208.242188 MB of memory in use. ENERGY: 1271600 715.9737 2074.3173 1929.0537 115.2674 -205777.4235 17257.0031 0.0000 0.0000 34188.5174 -149497.2908 298.5768 -183685.8083 -149398.9093 298.8053 -263.8743 -232.1780 558280.4194 -17.8890 -18.1523 PRESSURE: 1271800 53.2277 36.85 -19.383 36.8494 -239.732 77.9805 -19.3835 77.9807 -222.858 GPRESSURE: 1271800 102.841 -25.8779 -68.3893 81.0602 -221.428 -13.0946 1.11934 114.198 -188.698 PRESSAVG: 1271800 -23.2846 0.116825 9.47273 0.116814 -3.36223 -1.98821 9.47288 -1.98819 11.9488 GPRESSAVG: 1271800 -22.5738 -1.74529 9.15397 1.90662 -3.18157 -3.73281 9.11381 -1.74993 10.5662 TIMING: 1271800 CPU: 3686.45, 0.00289415/step Wall: 3686.45, 0.00289415/step, 2.99721 hours remaining, 208.242188 MB of memory in use. ENERGY: 1271800 796.3201 2073.3100 1916.9120 107.0675 -206116.5977 17642.8545 0.0000 0.0000 34079.9706 -149500.1629 297.6289 -183580.1335 -149406.9185 298.4905 -136.4538 -102.4285 558240.7322 -4.8993 -5.0631 PRESSURE: 1272000 1.15862 -34.5282 -177.438 -34.5281 -282.48 -181.567 -177.438 -181.567 163.259 GPRESSURE: 1272000 -16.5596 10.4948 -114.465 -74.8463 -245.738 -263.145 -204.679 -27.8314 225.41 PRESSAVG: 1272000 23.3007 38.9257 -9.01308 38.9256 -56.1197 -2.40132 -9.01303 -2.40131 -14.2264 GPRESSAVG: 1272000 23.1133 41.2318 -5.50234 33.97 -56.8638 -1.4414 -9.76729 -1.05386 -13.7991 TIMING: 1272000 CPU: 3687.03, 0.00289823/step Wall: 3687.03, 0.00289823/step, 3.00128 hours remaining, 208.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1272000 721.0124 2083.4384 1955.1525 105.9832 -206470.2718 17818.0278 0.0000 0.0000 34189.6638 -149596.9936 298.5868 -183786.6575 -149499.6196 297.4366 -39.3542 -12.2961 558822.6779 -15.6818 -15.8498 PRESSURE: 1272200 -79.8153 55.9229 16.368 55.9223 -44.2152 -67.2141 16.3681 -67.2133 -30.275 GPRESSURE: 1272200 -66.4505 30.1726 -2.42169 -0.816276 2.08125 -67.7026 -12.9064 -82.4037 7.9766 PRESSAVG: 1272200 17.0018 6.57876 -56.7538 6.57878 -36.9686 -26.1106 -56.7538 -26.1105 20.6738 GPRESSAVG: 1272200 16.288 5.47232 -59.0605 9.14395 -35.4347 -25.7085 -55.5462 -26.9168 20.2981 TIMING: 1272200 CPU: 3687.62, 0.00294006/step Wall: 3687.62, 0.00294006/step, 3.04443 hours remaining, 208.242188 MB of memory in use. ENERGY: 1272200 724.8923 2112.6638 1915.0954 114.2327 -206645.9412 17907.3457 0.0000 0.0000 34177.8250 -149693.8862 298.4834 -183871.7113 -149599.6093 298.0017 -51.4352 -18.7976 558328.5807 0.2357 0.3838 LDB: ============= START OF LOAD BALANCING ============== 3691.01 LDB: ============== END OF LOAD BALANCING =============== 3691.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3691.01 LDB: ============= START OF LOAD BALANCING ============== 3691.3 LDB: Largest compute 4822 load 0.024647 is 20.9% of average load 0.118014 LDB: Average compute 0.001716 is 1.5% of average load 0.118014 LDB: TIME 3691.3 LOAD: AVG 0.118014 MAX 0.181957 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.062 MB LDB: TIME 3691.3 LOAD: AVG 0.118014 MAX 0.181957 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: TIME 3691.3 LOAD: AVG 0.118014 MAX 0.181957 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3691.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3691.31 PRESSURE: 1272400 -41.6539 103.66 15.7525 103.66 134.434 -50.6292 15.7527 -50.6291 235.712 GPRESSURE: 1272400 15.9375 113.718 42.3089 117.713 119.174 -77.3437 46.8778 -47.0255 285.253 PRESSAVG: 1272400 -36.3516 -0.546302 -15.9713 -0.546257 22.0066 21.6692 -15.9711 21.6691 19.3991 GPRESSAVG: 1272400 -35.2823 -2.41187 -13.9911 1.62405 21.0529 20.5667 -18.9007 21.3167 19.2233 TIMING: 1272400 CPU: 3688.21, 0.00296865/step Wall: 3688.21, 0.00296865/step, 3.07388 hours remaining, 209.343750 MB of memory in use. ENERGY: 1272400 784.9179 2048.2728 1932.7665 111.5211 -206922.7419 18174.2223 0.0000 0.0000 34179.2439 -149691.7973 298.4958 -183871.0413 -149589.2134 297.4930 109.4975 140.1214 557245.7947 1.6847 1.6647 PRESSURE: 1272600 -12.5414 -20.6516 -41.2706 -20.6523 28.0491 156.206 -41.271 156.207 60.1506 GPRESSURE: 1272600 31.2174 -30.1936 -71.2105 -34.4503 31.8992 93.8815 -11.2387 162.323 108.219 PRESSAVG: 1272600 -29.8256 16.926 15.7396 16.9259 -2.59143 -20.9002 15.7396 -20.9003 -7.73271 GPRESSAVG: 1272600 -30.673 18.5251 16.0004 12.9985 -2.14596 -22.0584 18.131 -19.5098 -7.83061 TIMING: 1272600 CPU: 3688.8, 0.00290823/step Wall: 3688.8, 0.00290823/step, 3.01115 hours remaining, 209.546875 MB of memory in use. ENERGY: 1272600 745.0777 2042.4058 1946.4607 105.4563 -206583.0264 18027.6138 0.0000 0.0000 34017.3904 -149698.6217 297.0823 -183716.0122 -149600.5928 297.7814 25.2194 57.1117 556373.2652 -13.3833 -13.5499 PRESSURE: 1272800 -7.09243 138.126 -87.4979 138.126 15.7054 59.0116 -87.4974 59.0112 -345.922 GPRESSURE: 1272800 -13.2555 166.055 -52.9665 141.599 2.37083 185.109 -134.323 73.6026 -238.068 PRESSAVG: 1272800 -9.7273 -47.4159 -47.6307 -47.4159 -4.44356 -20.536 -47.6307 -20.536 27.111 GPRESSAVG: 1272800 -9.38723 -45.6488 -49.0687 -46.7876 -4.23357 -18.8637 -47.312 -19.2756 26.2355 TIMING: 1272800 CPU: 3689.37, 0.00289022/step Wall: 3689.37, 0.00289022/step, 2.99234 hours remaining, 209.546875 MB of memory in use. ENERGY: 1272800 778.7146 2009.0514 1938.0481 109.0380 -206301.1035 17686.7115 0.0000 0.0000 34129.0867 -149650.4533 298.0578 -183779.5400 -149546.9706 298.1768 -112.4363 -82.9843 556806.0116 4.3134 4.2049 PRESSURE: 1273000 123.53 -125.353 -88.2966 -125.353 -97.1365 -99.819 -88.2968 -99.8186 -86.429 GPRESSURE: 1273000 147.55 -92.8584 -44.1878 -154.309 -44.7515 -166.909 -131.675 -37.0803 -78.2353 PRESSAVG: 1273000 -33.352 -13.9917 18.9691 -13.9917 6.30443 -57.3016 18.9691 -57.3017 29.2543 GPRESSAVG: 1273000 -33.6879 -14.9042 19.4106 -12.1313 5.47153 -56.4901 17.5142 -59.6617 30.5371 TIMING: 1273000 CPU: 3689.95, 0.00290064/step Wall: 3689.95, 0.00290064/step, 3.00297 hours remaining, 209.546875 MB of memory in use. ENERGY: 1273000 744.8121 2106.9308 1922.9610 114.4632 -206570.6373 17978.1704 0.0000 0.0000 34207.1397 -149496.1600 298.7395 -183703.2998 -149394.7295 298.4091 -20.0118 8.1878 556658.8064 0.7356 0.7736 PRESSURE: 1273200 44.1399 52.0845 -46.2003 52.0847 50.9183 106.091 -46.2006 106.091 -115.223 GPRESSURE: 1273200 60 -1.42929 -55.4597 119.402 101.003 127.193 -41.5933 118.821 -97.335 PRESSAVG: 1273200 31.4999 -7.85787 6.04665 -7.85789 30.0972 -67.1168 6.0466 -67.1168 -33.5057 GPRESSAVG: 1273200 31.8421 -9.94654 6.87251 -8.37088 30.7306 -67.8955 7.48449 -66.9435 -33.9558 TIMING: 1273200 CPU: 3690.53, 0.00289436/step Wall: 3690.53, 0.00289436/step, 2.99631 hours remaining, 209.546875 MB of memory in use. ENERGY: 1273200 741.0526 2129.1363 1937.8256 110.9269 -206677.9488 17927.6238 0.0000 0.0000 34183.1991 -149648.1845 298.5304 -183831.3836 -149552.9956 298.1003 -6.7216 21.2228 556497.7558 9.3638 9.5390 PRESSURE: 1273400 56.9931 -78.9775 102.578 -78.9778 22.4616 175.319 102.578 175.32 89.3782 GPRESSURE: 1273400 124.706 -112.76 66.48 -1.72171 80.6688 81.4764 79.8222 187.157 69.3659 PRESSAVG: 1273400 -26.6463 16.6063 -22.4185 16.6062 -0.650349 -19.4988 -22.4184 -19.4988 8.53955 GPRESSAVG: 1273400 -27.8451 18.0579 -23.3333 17.5897 0.0986296 -18.5757 -22.4182 -19.6266 8.9106 TIMING: 1273400 CPU: 3691.11, 0.00288325/step Wall: 3691.11, 0.00288325/step, 2.98465 hours remaining, 209.546875 MB of memory in use. ENERGY: 1273400 738.3676 2054.2049 1930.5267 107.0972 -206524.1773 18038.8452 0.0000 0.0000 33945.5263 -149709.6094 296.4547 -183655.1357 -149608.7405 297.5993 56.2776 91.5804 557712.5684 -6.2524 -6.2786 PRESSURE: 1273600 104.678 -140.679 7.92287 -140.678 -32.0537 -50.9738 7.92447 -50.9727 244.553 GPRESSURE: 1273600 127.524 -136.803 -23.7898 -138.053 1.68421 -128.32 76.2292 -92.9945 280.583 PRESSAVG: 1273600 2.42159 22.0602 -20.661 22.0602 -50.8466 18.2183 -20.6611 18.2184 25.3985 GPRESSAVG: 1273600 2.85416 21.5655 -20.9756 21.5778 -50.9443 16.8242 -20.9475 18.792 24.8284 TIMING: 1273600 CPU: 3691.69, 0.00287563/step Wall: 3691.69, 0.00287563/step, 2.9766 hours remaining, 209.546875 MB of memory in use. ENERGY: 1273600 728.7259 2153.2823 1947.0788 122.2402 -206883.6320 18143.4564 0.0000 0.0000 34211.5425 -149577.3059 298.7779 -183788.8484 -149488.0251 298.0217 105.7258 136.5970 556538.2206 -7.6755 -7.7539 PRESSURE: 1273800 -23.6241 -142.299 -141.838 -142.299 -131.391 -15.3021 -141.839 -15.3016 5.02781 GPRESSURE: 1273800 20.6511 -116.021 -128.03 -111.814 -128.858 -55.0775 -159.876 89.5231 64.9338 PRESSAVG: 1273800 -16.6304 -33.1796 -31.3153 -33.1796 -38.9357 -28.941 -31.3153 -28.9409 41.6774 GPRESSAVG: 1273800 -16.7535 -33.8701 -30.9772 -31.4177 -39.062 -27.948 -31.7047 -29.4455 42.3555 TIMING: 1273800 CPU: 3692.26, 0.00287841/step Wall: 3692.26, 0.00287841/step, 2.97931 hours remaining, 209.546875 MB of memory in use. ENERGY: 1273800 760.6904 2074.8993 1967.1190 102.4817 -206389.8284 17779.0548 0.0000 0.0000 34026.0998 -149679.4835 297.1584 -183705.5833 -149581.2208 298.3528 -49.9957 -14.4245 557327.4221 -4.6296 -4.4867 PRESSURE: 1274000 -202.079 165.201 -2.58332 165.2 -613.492 186.335 -2.58451 186.333 -218.589 GPRESSURE: 1274000 -192.655 140.339 -122.43 153.524 -567.061 203.709 90.7717 272.534 -190.649 PRESSAVG: 1274000 94.6328 8.95456 -43.5364 8.95458 -77.5879 25.4132 -43.5364 25.4133 -14.531 GPRESSAVG: 1274000 95.4953 12.2359 -43.6564 6.41449 -78.7757 24.0228 -42.7379 24.9906 -14.3818 TIMING: 1274000 CPU: 3692.84, 0.00288034/step Wall: 3692.84, 0.00288034/step, 2.98115 hours remaining, 209.546875 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: 1274000 760.7350 2078.4973 1942.0277 111.0379 -206009.2202 17395.0964 0.0000 0.0000 34116.9927 -149604.8332 297.9522 -183721.8259 -149504.6123 298.1912 -344.7199 -316.7885 557652.7812 0.8380 0.7792 PRESSURE: 1274200 -53.4097 -120.399 42.8216 -120.399 -68.6222 -7.78609 42.823 -7.78706 -147.051 GPRESSURE: 1274200 -34.2008 -103.309 -5.14071 -120.322 -20.0367 47.5864 70.7197 -45.1647 -115.847 PRESSAVG: 1274200 10.7174 16.6329 -42.983 16.633 5.26445 -8.13472 -42.9829 -8.1347 -32.6065 GPRESSAVG: 1274200 10.9761 15.9041 -44.8417 16.168 6.17391 -5.43324 -43.0681 -8.8497 -32.982 TIMING: 1274200 CPU: 3693.41, 0.00286636/step Wall: 3693.41, 0.00286636/step, 2.96652 hours remaining, 209.546875 MB of memory in use. ENERGY: 1274200 747.5221 2063.9785 1919.2916 111.8872 -206323.5559 17667.2778 0.0000 0.0000 34214.3724 -149599.2261 298.8026 -183813.5986 -149508.4689 297.4593 -89.6944 -56.6950 555980.1649 -5.5415 -5.2773 PRESSURE: 1274400 -19.2317 -64.8906 43.7639 -64.8913 -40.9431 -52.2711 43.7647 -52.2724 83.1428 GPRESSURE: 1274400 7.34742 94.9053 73.48 -106.238 -28.267 -27.1279 -9.80103 -39.4195 150.041 PRESSAVG: 1274400 -11.0587 8.24077 12.9153 8.24071 12.1434 12.7019 12.9153 12.702 -16.9504 GPRESSAVG: 1274400 -11.9394 9.06139 14.592 7.30148 11.6536 11.4151 13.5887 14.3742 -15.5808 TIMING: 1274400 CPU: 3693.99, 0.00288835/step Wall: 3693.99, 0.00288835/step, 2.98912 hours remaining, 209.546875 MB of memory in use. ENERGY: 1274400 730.0008 2054.3934 1909.0393 128.7650 -206407.3076 17802.1290 0.0000 0.0000 34214.9386 -149568.0416 298.8076 -183782.9801 -149476.2008 298.4471 7.6560 43.0405 556280.2285 -5.2886 -5.2889 PRESSURE: 1274600 146.29 283.476 19.8039 283.477 -285.962 -58.6504 19.8036 -58.6516 66.9489 GPRESSURE: 1274600 196.478 206.256 -62.6797 317.68 -231.895 -0.917281 -20.6067 -127.241 58.4136 PRESSAVG: 1274600 35.8757 24.459 -9.77252 24.4588 -70.666 35.4013 -9.77248 35.4012 28.4265 GPRESSAVG: 1274600 36.8931 22.2141 -8.28895 26.7393 -71.6214 37.0782 -11.8781 33.1001 28.6488 TIMING: 1274600 CPU: 3694.57, 0.00290594/step Wall: 3694.57, 0.00290594/step, 3.00716 hours remaining, 209.546875 MB of memory in use. ENERGY: 1274600 733.9345 2069.4981 1940.9563 124.8196 -206192.2740 17846.0967 0.0000 0.0000 33986.2085 -149490.7604 296.8100 -183476.9688 -149392.2063 297.9301 -24.2410 7.6657 557596.1353 -2.1213 -2.0265 PRESSURE: 1274800 -70.1088 -120.118 40.4543 -120.118 -164.866 -90.4329 40.4546 -90.4327 19.8733 GPRESSURE: 1274800 -57.0793 -133.086 93.7775 -27.9301 -73.2179 -40.2609 -29.7275 -160.953 14.7968 PRESSAVG: 1274800 10.3048 37.0693 31.0819 37.0693 -61.0468 -35.6351 31.0819 -35.6352 41.7496 GPRESSAVG: 1274800 9.54372 37.723 30.6168 36.9555 -59.2385 -39.1722 30.6871 -33.4149 41.0525 TIMING: 1274800 CPU: 3695.15, 0.0029196/step Wall: 3695.15, 0.0029196/step, 3.02114 hours remaining, 209.546875 MB of memory in use. ENERGY: 1274800 761.4758 2102.2787 1922.4768 119.3960 -206543.1199 17876.3836 0.0000 0.0000 34284.0750 -149477.0340 299.4114 -183761.1090 -149380.9437 298.1829 -71.7004 -38.5001 557833.5718 -2.9975 -2.8808 PRESSURE: 1275000 -157.913 151.168 57.8694 151.168 -234.521 62.2509 57.869 62.252 -158.055 GPRESSURE: 1275000 -72.2105 83.5705 104.894 137.078 -196.458 54.0478 -28.9454 -4.55286 -178.584 PRESSAVG: 1275000 19.1192 -37.2066 47.8605 -37.2066 -31.331 -44.6556 47.8605 -44.6555 7.47149 GPRESSAVG: 1275000 20.7446 -37.3962 45.9139 -38.5175 -32.4249 -42.718 50.365 -45.2338 7.22264 TIMING: 1275000 CPU: 3695.74, 0.00291452/step Wall: 3695.74, 0.00291452/step, 3.01571 hours remaining, 209.546875 MB of memory in use. ENERGY: 1275000 746.5604 2062.2590 1920.8649 106.0107 -206161.3306 17678.2023 0.0000 0.0000 34182.3130 -149465.1203 298.5226 -183647.4333 -149372.8274 297.9769 -183.4962 -149.0841 559894.6503 -1.5801 -1.4859 PRESSURE: 1275200 -26.2585 -70.1109 46.3837 -70.1116 -85.5707 -62.5045 46.3844 -62.5037 -140.001 GPRESSURE: 1275200 48.3576 -24.8926 -18.2934 -55.9683 -58.6849 -59.3737 65.5807 -53.7945 -135.044 PRESSAVG: 1275200 32.1421 -53.832 48.3134 -53.832 6.15787 -5.26227 48.3135 -5.26221 -43.1744 GPRESSAVG: 1275200 31.9913 -52.7209 49.1486 -53.7889 7.44067 -5.28864 47.1607 -5.80463 -43.1718 TIMING: 1275200 CPU: 3696.32, 0.00290873/step Wall: 3696.32, 0.00290873/step, 3.00957 hours remaining, 209.546875 MB of memory in use. ENERGY: 1275200 728.3217 2014.5654 1939.5712 118.9777 -205776.8447 17581.2312 0.0000 0.0000 34151.0683 -149243.1091 298.2498 -183394.1774 -149148.5421 298.9054 -83.9435 -48.4570 558547.5821 -1.6248 -1.2466 PRESSURE: 1275400 100.819 -90.5039 -14.6466 -90.5051 148.115 -114.452 -14.6472 -114.452 205.333 GPRESSURE: 1275400 88.3565 -49.7107 67.1916 -91.2618 164.355 -122.419 -16.1658 -110.807 293.072 PRESSAVG: 1275400 21.9784 24.2827 65.306 24.2828 19.5373 -41.2588 65.306 -41.2589 -10.8882 GPRESSAVG: 1275400 20.7798 21.9987 65.4708 24.1675 20.0982 -40.7769 64.2647 -42.1921 -10.1599 TIMING: 1275400 CPU: 3696.9, 0.00290073/step Wall: 3696.9, 0.00290073/step, 3.00113 hours remaining, 209.546875 MB of memory in use. ENERGY: 1275400 707.8467 2042.4246 1933.4043 118.6339 -206116.2200 17881.8101 0.0000 0.0000 34128.1069 -149303.9935 298.0492 -183432.1005 -149198.2898 298.7819 151.4225 181.9279 557934.2033 10.2092 10.2394 PRESSURE: 1275600 -132.122 -13.0239 121.381 -13.0248 -231.791 11.3271 121.38 11.3281 -107.162 GPRESSURE: 1275600 -79.101 -44.7414 55.6993 79.6791 -176.36 -19.1258 148.782 34.3094 -133.395 PRESSAVG: 1275600 75.2987 -8.68892 -2.39576 -8.68892 -88.989 -46.5009 -2.3957 -46.5008 64.6996 GPRESSAVG: 1275600 76.0344 -6.25833 -3.51878 -7.41825 -90.1105 -47.3214 0.173557 -44.9322 64.4827 TIMING: 1275600 CPU: 3697.48, 0.00291293/step Wall: 3697.48, 0.00291293/step, 3.01359 hours remaining, 209.546875 MB of memory in use. ENERGY: 1275600 766.7145 2036.9778 1910.8455 116.7533 -206075.9644 17655.2244 0.0000 0.0000 34163.8435 -149425.6054 298.3613 -183589.4489 -149333.6449 298.9666 -157.0250 -129.6185 558087.8536 17.0031 16.8022 PRESSURE: 1275800 -250.983 40.0345 21.7382 40.0362 -93.486 53.5808 21.739 53.5815 -5.582 GPRESSURE: 1275800 -215.078 -17.4139 43.7388 59.0762 -86.8445 -22.8289 47.8772 15.9274 44.9181 PRESSAVG: 1275800 12.8462 10.28 11.1903 10.28 3.90536 51.6771 11.1901 51.6769 -36.3143 GPRESSAVG: 1275800 12.6426 10.0227 12.4775 9.23717 3.04077 52.8036 8.26302 51.4679 -35.6277 TIMING: 1275800 CPU: 3698.06, 0.00289344/step Wall: 3698.06, 0.00289344/step, 2.99327 hours remaining, 209.546875 MB of memory in use. ENERGY: 1275800 742.1642 2123.7146 1909.1029 114.0270 -205853.6943 17648.5676 0.0000 0.0000 33986.3076 -149329.8104 296.8109 -183316.1180 -149235.9302 298.6023 -116.6837 -85.6682 557054.7025 -6.5209 -6.6481 PRESSURE: 1276000 114.883 -82.0894 93.2142 -82.0904 -44.6942 62.6655 93.2135 62.6679 -338.119 GPRESSURE: 1276000 158.007 -82.1883 112.562 -9.39265 -15.5791 32.2973 88.462 111.618 -310.718 PRESSAVG: 1276000 20.8159 16.3865 5.00418 16.3865 51.0351 0.289181 5.00416 0.289211 -33.5242 GPRESSAVG: 1276000 21.4426 17.0507 5.78999 16.2072 51.3781 -1.92601 5.23444 0.656349 -34.6909 TIMING: 1276000 CPU: 3698.64, 0.00288985/step Wall: 3698.64, 0.00288985/step, 2.98939 hours remaining, 209.546875 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: 1276000 731.3493 2083.7596 1936.3321 113.7669 -205643.8937 17549.0887 0.0000 0.0000 33949.7839 -149279.8132 296.4919 -183229.5971 -149186.2139 298.7386 -89.3097 -56.0966 558031.4137 12.7756 12.7099 PRESSURE: 1276200 11.4208 225.758 -48.2049 225.757 8.64537 25.1468 -48.2051 25.1479 117.909 GPRESSURE: 1276200 -9.8591 232.169 -127.148 153.543 130.001 -4.44299 -141.999 65.1779 123.705 PRESSAVG: 1276200 -8.37287 49.0083 -10.0513 49.0083 0.995413 12.9352 -10.0513 12.9351 -25.3629 GPRESSAVG: 1276200 -8.72458 48.2013 -10.1086 49.4157 1.49997 12.9293 -9.70557 12.2603 -25.3041 TIMING: 1276200 CPU: 3699.22, 0.00289101/step Wall: 3699.22, 0.00289101/step, 2.99043 hours remaining, 209.546875 MB of memory in use. ENERGY: 1276200 728.3359 2128.4403 1933.1563 123.4997 -206327.4875 17931.4207 0.0000 0.0000 34060.4511 -149422.1836 297.4584 -183482.6346 -149330.8512 298.7802 45.9916 81.2824 558780.6124 -10.9135 -10.8429 LDB: ============= START OF LOAD BALANCING ============== 3702.6 LDB: ============== END OF LOAD BALANCING =============== 3702.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3702.6 LDB: ============= START OF LOAD BALANCING ============== 3702.89 LDB: Largest compute 4800 load 0.023422 is 19.9% of average load 0.117964 LDB: Average compute 0.001709 is 1.4% of average load 0.117964 LDB: TIME 3702.9 LOAD: AVG 0.117964 MAX 0.184074 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.09 MB LDB: TIME 3702.9 LOAD: AVG 0.117964 MAX 0.184074 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: TIME 3702.9 LOAD: AVG 0.117964 MAX 0.184074 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: ============== END OF LOAD BALANCING =============== 3702.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3702.9 PRESSURE: 1276400 -124.729 122.182 80.9299 122.182 -217.258 -12.903 80.93 -12.9028 -196.461 GPRESSURE: 1276400 -77.7709 112.13 133.543 39.927 -234.272 -1.32979 -29.7691 -9.82279 -119.668 PRESSAVG: 1276400 -11.2779 33.5124 9.71019 33.5125 -15.0454 2.60897 9.71018 2.60902 28.541 GPRESSAVG: 1276400 -11.3693 33.1736 9.94014 34.7945 -15.9315 2.95675 8.75282 4.75296 29.6486 TIMING: 1276400 CPU: 3699.81, 0.00295648/step Wall: 3699.81, 0.00295648/step, 3.05799 hours remaining, 207.078125 MB of memory in use. ENERGY: 1276400 756.1341 2078.9508 1908.5761 116.5881 -206025.7298 17603.9168 0.0000 0.0000 34070.3433 -149491.2207 297.5448 -183561.5640 -149398.9821 298.0517 -179.4827 -143.9036 557874.7413 0.7392 0.7826 PRESSURE: 1276600 -285.254 -111.362 115.932 -111.361 65.3539 72.135 115.931 72.1346 64.9076 GPRESSURE: 1276600 -235.75 -241.538 107.962 -67.3719 105.602 37.0695 136.889 77.1603 61.393 PRESSAVG: 1276600 -32.1915 -31.261 -35.9151 -31.261 14.9871 25.2328 -35.915 25.2327 62.6622 GPRESSAVG: 1276600 -31.4449 -31.5626 -37.2331 -29.6719 16.1618 27.8847 -36.8533 22.6264 60.9947 TIMING: 1276600 CPU: 3700.39, 0.00292143/step Wall: 3700.39, 0.00292143/step, 3.02157 hours remaining, 207.078125 MB of memory in use. ENERGY: 1276600 740.1475 2147.1163 1950.4922 130.0827 -206423.7360 17764.1888 0.0000 0.0000 34227.4266 -149464.2820 298.9166 -183691.7086 -149364.2994 298.0509 -51.6643 -22.9184 557997.2834 15.1526 15.2372 PRESSURE: 1276800 65.3612 -61.1314 -138.864 -61.1306 -256.502 -76.1601 -138.866 -76.1583 20.6114 GPRESSURE: 1276800 101.146 -1.66185 -123.867 -119.39 -218.369 -13.12 -167.773 -46.9809 43.8958 PRESSAVG: 1276800 6.22922 -9.8945 -47.507 -9.8945 42.4621 -22.4428 -47.5069 -22.4427 -3.38879 GPRESSAVG: 1276800 5.30001 -10.416 -46.8739 -11.6759 41.3575 -25.7628 -45.0528 -19.8641 -1.06476 TIMING: 1276800 CPU: 3700.97, 0.00291423/step Wall: 3700.97, 0.00291423/step, 3.01396 hours remaining, 207.078125 MB of memory in use. ENERGY: 1276800 736.1211 2125.7200 1949.5822 131.7005 -206428.8681 18007.7398 0.0000 0.0000 34159.6816 -149318.3230 298.3250 -183478.0046 -149214.5148 299.1088 -56.8430 -24.4423 558617.1693 15.1009 15.1976 PRESSURE: 1277000 202.355 138.949 42.8765 138.949 52.1458 33.9993 42.8764 33.9969 255.103 GPRESSURE: 1277000 240.728 74.4298 64.8082 134.501 106.92 22.7081 80.7594 -31.6501 275.008 PRESSAVG: 1277000 13.3292 -12.6719 31.2334 -12.6719 -14.546 -8.73598 31.2334 -8.7359 17.0041 GPRESSAVG: 1277000 11.9725 -10.9762 31.6061 -12.0388 -12.6937 -6.87771 32.2196 -10.3233 16.2139 TIMING: 1277000 CPU: 3701.55, 0.00290384/step Wall: 3701.55, 0.00290384/step, 3.00306 hours remaining, 207.078125 MB of memory in use. ENERGY: 1277000 694.5912 2109.4150 1908.5399 107.3704 -206179.3759 17923.7067 0.0000 0.0000 34173.6180 -149262.1347 298.4467 -183435.7526 -149164.7679 299.1003 169.8680 207.5518 558112.1501 5.2624 5.1642 PRESSURE: 1277200 196.643 -61.8806 -82.1961 -61.8816 130.61 -265.84 -82.1965 -265.84 -47.3064 GPRESSURE: 1277200 260.688 -88.9567 -58.6179 -43.9127 118.077 -264.665 -170.237 -285.944 -3.62639 PRESSAVG: 1277200 14.5758 -20.0349 44.1036 -20.0349 47.5254 0.0464361 44.1036 0.0465532 -9.2158 GPRESSAVG: 1277200 16.3101 -20.5939 45.5539 -20.5836 44.8083 0.736886 41.4605 0.312273 -8.84259 TIMING: 1277200 CPU: 3702.13, 0.0028858/step Wall: 3702.13, 0.0028858/step, 2.98424 hours remaining, 207.078125 MB of memory in use. ENERGY: 1277200 758.9322 2107.7818 1938.0899 113.0313 -206195.8461 17819.5049 0.0000 0.0000 34320.7706 -149137.7353 299.7318 -183458.5060 -149040.0593 299.8857 93.3155 125.0464 557678.3372 17.6285 17.4253 PRESSURE: 1277400 -4.26251 17.3586 -14.6006 17.3578 15.8477 -45.3749 -14.6021 -45.3747 -114.622 GPRESSURE: 1277400 104.898 -0.414254 73.0585 2.51095 63.2811 -40.8136 -114.84 -107.226 -168.284 PRESSAVG: 1277400 81.8667 0.716992 -27.2577 0.717058 14.6564 -6.05933 -27.2578 -6.05928 -113.193 GPRESSAVG: 1277400 80.573 3.25196 -29.4156 -0.214815 16.4009 -9.45542 -25.8986 -3.98348 -113.167 TIMING: 1277400 CPU: 3702.72, 0.00291775/step Wall: 3702.72, 0.00291775/step, 3.01711 hours remaining, 207.078125 MB of memory in use. ENERGY: 1277400 751.2181 2122.6049 1946.3689 114.1685 -206323.1276 17735.7031 0.0000 0.0000 34399.5921 -149253.4719 300.4202 -183653.0641 -149161.0064 299.4114 -34.3455 -0.0348 556605.2722 -5.5568 -5.3976 PRESSURE: 1277600 7.60983 27.5768 -66.3347 27.5778 -328.195 -33.7921 -66.3346 -33.7924 -310.806 GPRESSURE: 1277600 -30.061 -48.8217 -20.3813 74.9232 -249.33 -6.59821 -61.9559 -60.2343 -258.934 PRESSAVG: 1277600 48.8253 22.3348 -35.4781 22.3347 4.17745 -1.00675 -35.4782 -1.00667 -72.2371 GPRESSAVG: 1277600 49.8112 21.5345 -35.0225 20.8393 4.24024 -0.163648 -35.498 -1.45179 -72.7969 TIMING: 1277600 CPU: 3703.3, 0.00290864/step Wall: 3703.3, 0.00290864/step, 3.00753 hours remaining, 207.078125 MB of memory in use. ENERGY: 1277600 764.3426 2099.3412 1962.0761 100.2591 -206141.8286 17425.7275 0.0000 0.0000 34647.9537 -149142.1284 302.5892 -183790.0821 -149048.5870 300.0992 -210.4636 -179.4416 556309.6999 -6.4115 -6.2485 PRESSURE: 1277800 -181.399 -97.5432 -94.8389 -97.5444 -16.406 155.047 -94.8394 155.048 -287.542 GPRESSURE: 1277800 -133.821 -34.1715 -127.835 -112.635 3.35726 134.16 -21.9937 161.957 -270.004 PRESSAVG: 1277800 40.2015 30.6654 -0.652894 30.6654 38.7327 12.1248 -0.6529 12.1248 -51.7781 GPRESSAVG: 1277800 40.4493 30.6556 -0.348102 32.8432 38.7843 13.666 0.636109 10.8779 -51.6268 TIMING: 1277800 CPU: 3703.88, 0.0029154/step Wall: 3703.88, 0.0029154/step, 3.01436 hours remaining, 207.078125 MB of memory in use. ENERGY: 1277800 751.8802 2130.8266 1915.4000 111.4847 -205645.0323 17450.8671 0.0000 0.0000 34260.2931 -149024.2806 299.2037 -183284.5737 -148919.3887 300.2460 -161.7826 -133.4893 556961.4876 9.0520 9.2023 PRESSURE: 1278000 99.4323 115.877 -140.87 115.877 257.951 -33.1956 -140.871 -33.1945 23.2755 GPRESSURE: 1278000 189.677 77.8247 -262.829 174.725 284.662 -2.07222 -122.327 -134.884 12.1783 PRESSAVG: 1278000 16.3498 15.2543 -48.4723 15.2543 38.4068 43.8695 -48.4725 43.8695 -74.7077 GPRESSAVG: 1278000 16.1894 15.5132 -49.7107 12.8049 37.5071 45.4868 -49.3862 41.9379 -73.5914 TIMING: 1278000 CPU: 3704.46, 0.00290246/step Wall: 3704.46, 0.00290246/step, 3.00082 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1278000 752.7075 2166.0864 1938.8543 105.8563 -206393.1727 17797.9247 0.0000 0.0000 34434.3711 -149197.3725 300.7239 -183631.7436 -149094.5234 299.3400 126.8865 162.1725 556438.3464 -6.6504 -6.6316 PRESSURE: 1278200 80.5259 9.13712 29.4307 9.13782 190.009 75.9464 29.4313 75.9463 114.102 GPRESSURE: 1278200 80.2392 -1.22645 149.846 23.1093 225.689 63.1252 -4.47001 137.179 171.897 PRESSAVG: 1278200 -30.3468 46.3086 -25.1129 46.3086 -5.94269 36.4221 -25.1128 36.4222 4.83839 GPRESSAVG: 1278200 -30.4157 46.1515 -24.642 47.7822 -4.80196 32.908 -25.9908 40.1999 3.84717 TIMING: 1278200 CPU: 3705.04, 0.00289837/step Wall: 3705.04, 0.00289837/step, 2.99643 hours remaining, 207.078125 MB of memory in use. ENERGY: 1278200 761.0511 2150.4952 1949.6663 117.9878 -206244.7830 17937.6978 0.0000 0.0000 34215.8485 -149112.0362 298.8155 -183327.8847 -149019.3055 299.5773 128.2122 159.2752 557541.7829 -10.4837 -10.4568 PRESSURE: 1278400 -82.4206 -109.884 -39.0279 -109.884 -220.831 20.619 -39.0271 20.6175 -135.887 GPRESSURE: 1278400 -66.3619 -174.068 28.7166 23.2745 -198.848 38.2658 -76.6128 54.7933 -65.2304 PRESSAVG: 1278400 -39.6573 -12.2057 -16.3545 -12.2057 -17.586 -36.842 -16.3545 -36.8421 58.4269 GPRESSAVG: 1278400 -39.6911 -12.037 -17.0495 -12.6795 -17.9661 -35.8579 -16.9247 -37.5688 58.0499 TIMING: 1278400 CPU: 3705.62, 0.00288677/step Wall: 3705.62, 0.00288677/step, 2.98428 hours remaining, 207.078125 MB of memory in use. ENERGY: 1278400 782.5409 2065.5764 1961.9911 132.5196 -205994.7980 17665.5403 0.0000 0.0000 34343.0993 -149043.5303 299.9268 -183386.6296 -148941.2487 299.7505 -146.3794 -110.1468 558124.9206 0.3945 0.1309 PRESSURE: 1278600 156.556 43.656 0.123478 43.6565 -217.352 39.0843 0.122863 39.0849 164.916 GPRESSURE: 1278600 214.599 9.41415 17.0014 146.424 -192.463 10.3507 -70.8265 -29.1315 177.957 PRESSAVG: 1278600 66.222 58.9049 -36.2613 58.9048 -90.5845 -39.7596 -36.2613 -39.7597 39.8924 GPRESSAVG: 1278600 66.2496 57.903 -34.346 59.8063 -91.7504 -38.4993 -35.7942 -40.8909 40.4832 TIMING: 1278600 CPU: 3706.19, 0.00288683/step Wall: 3706.19, 0.00288683/step, 2.98418 hours remaining, 207.078125 MB of memory in use. ENERGY: 1278600 736.3909 2176.8404 1961.3020 124.7889 -205965.1951 17790.3491 0.0000 0.0000 34216.5715 -148958.9524 298.8218 -183175.5239 -148864.4906 300.4943 34.7065 66.6974 558051.9869 5.1766 4.9941 PRESSURE: 1278800 -19.5308 16.7132 90.2556 16.7143 5.4453 151.446 90.2559 151.447 88.2049 GPRESSURE: 1278800 58.5802 -46.7679 115.811 -64.2809 -19.7369 34.1173 23.0107 171.962 135.493 PRESSAVG: 1278800 21.4418 21.9885 -28.2086 21.9886 -43.6367 24.0704 -28.2086 24.0705 33.71 GPRESSAVG: 1278800 21.4553 20.3541 -28.3503 23.5968 -43.2146 23.6307 -29.2316 24.7778 33.1804 TIMING: 1278800 CPU: 3706.77, 0.00289122/step Wall: 3706.77, 0.00289122/step, 2.98856 hours remaining, 207.078125 MB of memory in use. ENERGY: 1278800 790.3814 2097.8543 1947.4080 108.7043 -206216.3025 17854.5187 0.0000 0.0000 34475.2372 -148942.1986 301.0808 -183417.4358 -148845.9864 300.1793 24.7065 58.1120 557731.4291 3.8384 3.8070 PRESSURE: 1279000 7.31848 54.938 -223.512 54.9394 -46.736 -114.955 -223.511 -114.956 79.8249 GPRESSURE: 1279000 45.1604 40.3026 -209.722 150.302 -33.4845 -110.459 -182.297 -128.536 134.736 PRESSAVG: 1279000 40.4605 -22.5713 -23.8534 -22.5713 -51.6594 -37.9287 -23.8535 -37.9288 17.8919 GPRESSAVG: 1279000 40.7482 -20.5855 -25.2831 -23.7761 -51.5984 -38.5091 -20.7266 -38.4812 18.3689 TIMING: 1279000 CPU: 3707.35, 0.00290717/step Wall: 3707.35, 0.00290717/step, 3.00488 hours remaining, 207.078125 MB of memory in use. ENERGY: 1279000 749.8586 2097.7247 1954.1606 117.3238 -206111.3317 17832.9656 0.0000 0.0000 34425.2765 -148934.0218 300.6445 -183359.2984 -148839.2281 299.7021 13.4691 48.8039 556985.0569 2.2310 2.5062 PRESSURE: 1279200 -181.947 34.0981 177.368 34.0966 332.107 25.1957 177.37 25.1943 35.0371 GPRESSURE: 1279200 -112.828 85.6152 97.1185 -38.833 337.137 -17.1442 198.025 36.0425 58.3738 PRESSAVG: 1279200 -8.87862 -22.8938 -50.0761 -22.8937 -2.13651 -28.1343 -50.0761 -28.1343 40.6505 GPRESSAVG: 1279200 -10.7486 -23.3136 -49.7907 -22.5864 -1.51687 -27.3138 -50.8118 -28.0233 41.4582 TIMING: 1279200 CPU: 3707.94, 0.00292424/step Wall: 3707.94, 0.00292424/step, 3.02237 hours remaining, 207.078125 MB of memory in use. ENERGY: 1279200 731.8414 2115.8791 1966.9482 107.9611 -206143.1036 17781.6017 0.0000 0.0000 34457.4386 -148981.4336 300.9254 -183438.8722 -148879.4238 300.1797 61.7325 94.2278 557628.4262 9.8785 9.7309 PRESSURE: 1279400 158.882 -122.871 75.1068 -122.871 37.4166 16.5739 75.1074 16.5717 133.387 GPRESSURE: 1279400 207.822 -142.845 -67.819 -113.069 71.0607 63.0107 106.96 26.0258 177.049 PRESSAVG: 1279400 -27.2769 57.9315 -1.72052 57.9315 10.6838 24.0716 -1.72054 24.0716 21.7257 GPRESSAVG: 1279400 -26.4355 57.9724 -1.8806 56.4904 11.0582 26.2301 -1.76227 22.5032 20.3905 TIMING: 1279400 CPU: 3708.52, 0.0028927/step Wall: 3708.52, 0.0028927/step, 2.9896 hours remaining, 207.078125 MB of memory in use. ENERGY: 1279400 728.4245 2089.4514 1945.6040 103.9099 -206488.9293 18113.3277 0.0000 0.0000 34502.2108 -149006.0011 301.3164 -183508.2119 -148911.4064 300.1876 109.8955 151.9772 556187.3437 1.7109 1.6711 PRESSURE: 1279600 10.3016 38.2612 -49.8613 38.2627 -56.7725 -45.9432 -49.8601 -45.9427 -242.632 GPRESSURE: 1279600 22.3758 50.6702 -21.212 30.3659 -53.7985 -29.35 -145.628 -108.183 -167.341 PRESSAVG: 1279600 -32.951 -24.7883 -5.62754 -24.7882 27.4262 -10.6401 -5.62756 -10.64 23.8466 GPRESSAVG: 1279600 -33.1079 -23.2965 -5.05083 -23.258 28.379 -11.7731 -4.85521 -8.08118 22.944 TIMING: 1279600 CPU: 3709.1, 0.00290637/step Wall: 3709.1, 0.00290637/step, 3.00357 hours remaining, 207.078125 MB of memory in use. ENERGY: 1279600 726.1700 2103.3659 1956.8895 111.3441 -205995.9160 17655.5827 0.0000 0.0000 34319.5261 -149123.0376 299.7210 -183442.5638 -149028.2892 299.9469 -96.3677 -66.2547 558248.0516 6.1073 6.0717 PRESSURE: 1279800 -24.9009 2.73612 -97.1957 2.73525 28.5911 64.5629 -97.1966 64.5636 -38.8174 GPRESSURE: 1279800 -44.1044 -60.0054 -122.61 -81.4699 94.0319 84.9002 -12.2624 -19.2716 12.2824 PRESSAVG: 1279800 29.7374 6.35069 -10.1821 6.3506 -18.358 -0.73055 -10.1821 -0.730565 -46.8492 GPRESSAVG: 1279800 29.2984 4.68699 -8.94601 6.89316 -19.211 -1.48929 -9.91898 -1.58075 -45.1559 TIMING: 1279800 CPU: 3709.68, 0.00291754/step Wall: 3709.68, 0.00291754/step, 3.01495 hours remaining, 207.078125 MB of memory in use. ENERGY: 1279800 744.9432 2133.9621 1934.4532 107.5845 -206283.6328 17800.9347 0.0000 0.0000 34496.4592 -149065.2959 301.2662 -183561.7551 -148969.3665 299.6295 -11.7091 20.7366 556538.8694 -11.8233 -11.6895 PRESSURE: 1280000 -212.975 -38.955 -53.3343 -38.9535 -118.476 -117.191 -53.334 -117.191 -30.1863 GPRESSURE: 1280000 -192.096 -61.3756 -6.99854 13.0886 -127.964 -200.521 -2.56915 -17.7499 55.977 PRESSAVG: 1280000 8.93116 -46.567 47.0777 -46.567 -48.7906 12.7576 47.0778 12.7576 28.2046 GPRESSAVG: 1280000 9.55059 -46.1832 46.0966 -47.1069 -48.9008 13.5174 45.4926 12.0402 27.4483 TIMING: 1280000 CPU: 3710.26, 0.00291126/step Wall: 3710.26, 0.00291126/step, 3.0083 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1280000 750.6718 2129.0812 1933.4005 119.0745 -205996.6269 17669.2846 0.0000 0.0000 34395.5171 -148999.5973 300.3846 -183395.1144 -148897.8730 300.1682 -120.5460 -88.0275 557932.7115 -3.8849 -3.9673 PRESSURE: 1280200 39.4639 -35.0102 -27.222 -35.0101 -130.51 161.283 -27.2215 161.284 -244.333 GPRESSURE: 1280200 117.627 -45.359 -64.3021 -12.5579 -155.018 135.409 -40.3002 99.9731 -205.613 PRESSAVG: 1280200 -10.4163 16.6915 -3.46141 16.6915 -48.045 -10.052 -3.46141 -10.052 12.0551 GPRESSAVG: 1280200 -10.306 16.9058 -3.33831 15.5326 -48.6102 -9.99916 -3.38779 -10.9167 12.2616 TIMING: 1280200 CPU: 3710.85, 0.00292038/step Wall: 3710.85, 0.00292038/step, 3.01757 hours remaining, 207.078125 MB of memory in use. ENERGY: 1280200 721.8470 2105.6289 1939.7479 111.8038 -205730.5134 17482.6385 0.0000 0.0000 34400.2125 -148968.6347 300.4256 -183368.8472 -148875.0975 299.0091 -111.7932 -81.0013 557093.4030 -15.4687 -15.5515 LDB: ============= START OF LOAD BALANCING ============== 3714.24 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3714.24 LDB: =============== DONE WITH MIGRATION ================ 3714.24 LDB: ============= START OF LOAD BALANCING ============== 3714.53 LDB: Largest compute 4822 load 0.026805 is 22.7% of average load 0.118014 LDB: Average compute 0.001709 is 1.4% of average load 0.118014 LDB: TIME 3714.53 LOAD: AVG 0.118014 MAX 0.185901 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 3714.53 LOAD: AVG 0.118014 MAX 0.185901 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: TIME 3714.53 LOAD: AVG 0.118014 MAX 0.185901 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: ============== END OF LOAD BALANCING =============== 3714.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3714.54 PRESSURE: 1280400 107.73 45.3345 30.1142 45.3342 -132.01 13.2446 30.115 13.2446 194.143 GPRESSURE: 1280400 209.686 62.9806 67.1793 19.0176 -102.468 -5.29379 53.2538 34.3535 157.321 PRESSAVG: 1280400 75.5364 -26.6838 -38.0604 -26.6838 -63.9789 39.6188 -38.0605 39.6188 -26.0268 GPRESSAVG: 1280400 76.0422 -26.8028 -39.2811 -26.3297 -64.4967 38.2511 -36.2237 41.7741 -25.483 TIMING: 1280400 CPU: 3711.44, 0.0029744/step Wall: 3711.44, 0.0029744/step, 3.07322 hours remaining, 208.101562 MB of memory in use. ENERGY: 1280400 735.0984 2068.0815 1913.6902 125.8237 -206100.3501 17836.7372 0.0000 0.0000 34385.8605 -149035.0587 300.3003 -183420.9192 -148939.8042 299.6983 56.6208 88.1798 556477.2346 -4.8231 -4.6459 PRESSURE: 1280600 -265.921 23.3065 -53.407 23.3067 33.114 -150.375 -53.4072 -150.375 -218.536 GPRESSURE: 1280600 -194.23 20.2713 -89.4187 20.4591 67.2138 -80.7595 -30.0801 -127.803 -223.88 PRESSAVG: 1280600 37.159 0.205127 4.79452 0.205173 32.1161 41.6555 4.79446 41.6556 -35.3287 GPRESSAVG: 1280600 35.7675 1.19118 5.7301 -1.23924 32.7803 41.9324 2.977 42.2299 -34.6623 TIMING: 1280600 CPU: 3712.03, 0.00291335/step Wall: 3712.03, 0.00291335/step, 3.00997 hours remaining, 208.101562 MB of memory in use. ENERGY: 1280600 704.2027 2130.8153 1963.5050 113.4503 -205909.0258 17588.3386 0.0000 0.0000 34403.3651 -149005.3488 300.4531 -183408.7139 -148902.4603 300.3516 -150.4476 -116.9653 557860.4313 11.3155 11.2952 PRESSURE: 1280800 -171.536 175.609 10.3493 175.61 50.3497 227.678 10.3488 227.678 63.5991 GPRESSURE: 1280800 -191.316 178.72 -7.40549 48.939 78.3936 170.729 45.5143 218.526 140.177 PRESSAVG: 1280800 17.7953 0.878934 -47.1093 0.878937 38.6292 -64.7013 -47.1093 -64.7013 -62.4139 GPRESSAVG: 1280800 17.5169 1.9615 -45.7071 1.58435 38.9638 -65.6303 -46.8184 -64.5042 -62.8896 TIMING: 1280800 CPU: 3712.61, 0.00290215/step Wall: 3712.61, 0.00290215/step, 2.99825 hours remaining, 208.101562 MB of memory in use. ENERGY: 1280800 766.5558 2134.5161 1954.8106 113.6113 -206351.0269 17877.5244 0.0000 0.0000 34419.6649 -149084.3439 300.5955 -183504.0087 -148993.3054 300.5728 -19.1957 9.0849 558544.1404 -1.9965 -2.1363 PRESSURE: 1281000 82.5238 -26.8076 -159.644 -26.8073 22.5687 11.3159 -159.645 11.3161 -123.66 GPRESSURE: 1281000 119.541 -45.0553 -135.842 -20.4567 70.3658 -25.26 -208.878 8.85597 -112.197 PRESSAVG: 1281000 -40.3081 0.0248326 -12.0774 0.0247682 52.9077 -0.528623 -12.0774 -0.528566 -4.20286 GPRESSAVG: 1281000 -40.5255 -1.86941 -13.1332 1.18864 53.1719 3.059 -11.492 -2.93472 -4.21354 TIMING: 1281000 CPU: 3713.19, 0.0029059/step Wall: 3713.19, 0.0029059/step, 3.00196 hours remaining, 208.136719 MB of memory in use. ENERGY: 1281000 744.3844 2096.9256 1942.9416 104.7515 -206256.1144 17948.9030 0.0000 0.0000 34491.4513 -148926.7570 301.2224 -183418.2083 -148829.7866 299.8767 -6.1893 25.9035 557569.1805 2.7989 2.8110 PRESSURE: 1281200 -99.4607 44.6553 -38.5385 44.6546 129.169 73.779 -38.5377 73.7782 -138.603 GPRESSURE: 1281200 -94.6954 95.4232 -151.396 28.4589 178.626 108.382 35.0803 2.10002 -95.5221 PRESSAVG: 1281200 -55.0511 -75.9765 -88.5073 -75.9765 66.3049 7.28591 -88.5073 7.28608 -17.6069 GPRESSAVG: 1281200 -54.5305 -75.8531 -88.4239 -76.2177 65.0656 3.63957 -86.458 9.34757 -17.1555 TIMING: 1281200 CPU: 3713.77, 0.00290075/step Wall: 3713.77, 0.00290075/step, 2.99648 hours remaining, 208.136719 MB of memory in use. ENERGY: 1281200 728.8365 2135.9045 1974.5211 112.8619 -205963.2177 17684.3545 0.0000 0.0000 34364.9411 -148961.7981 300.1176 -183326.7392 -148857.7066 300.2097 -36.2984 -3.8640 555996.0077 -2.1177 -2.2068 PRESSURE: 1281400 66.4851 80.8876 97.6906 80.8866 -84.028 141.435 97.6906 141.433 -199.785 GPRESSURE: 1281400 60.0339 88.3131 152.171 40.0505 -2.59967 225.818 53.5121 98.0168 -169.92 PRESSAVG: 1281400 36.4273 -0.860129 -69.9605 -0.860045 7.82932 -8.86709 -69.9605 -8.86716 -46.8304 GPRESSAVG: 1281400 36.4043 -0.376893 -70.1831 -0.437249 8.77388 -6.45766 -70.7903 -10.6415 -47.2947 TIMING: 1281400 CPU: 3714.35, 0.00289599/step Wall: 3714.35, 0.00289599/step, 2.9914 hours remaining, 208.136719 MB of memory in use. ENERGY: 1281400 746.3790 2130.0171 1933.8641 118.4269 -205662.0358 17608.5104 0.0000 0.0000 34162.3538 -148962.4843 298.3483 -183124.8382 -148875.7573 299.4438 -72.4426 -37.4952 557381.4960 -0.8579 -0.7055 PRESSURE: 1281600 210.906 34.935 -15.2566 34.9346 309.128 -142.831 -15.2574 -142.831 -27.4693 GPRESSURE: 1281600 226.703 51.1152 -27.2315 49.0827 388.817 -117.977 68.735 -111.054 -31.2539 PRESSAVG: 1281600 0.255789 72.4719 3.81249 72.4719 12.4057 -26.4783 3.81253 -26.4783 -12.4434 GPRESSAVG: 1281600 -0.800268 68.7524 2.06957 73.8627 13.8499 -26.8794 4.37163 -25.3649 -12.6162 TIMING: 1281600 CPU: 3714.93, 0.00289274/step Wall: 3714.93, 0.00289274/step, 2.98787 hours remaining, 208.136719 MB of memory in use. ENERGY: 1281600 715.1132 2007.7650 1947.8044 113.2216 -205913.3641 17914.0574 0.0000 0.0000 34151.5168 -149063.8857 298.2537 -183215.4025 -148971.0923 299.3139 164.1882 194.7554 557089.7579 0.0727 0.1445 PRESSURE: 1281800 -172.068 -207.965 174.16 -207.967 -3.57102 117.048 174.159 117.046 190.032 GPRESSURE: 1281800 -115.196 -166.375 88.418 -262.557 31.7498 63.5056 145.77 100.927 194.034 PRESSAVG: 1281800 -23.3472 26.203 5.23178 26.203 2.13111 19.8664 5.23168 19.8663 10.2823 GPRESSAVG: 1281800 -23.5714 29.0242 8.26022 26.1873 1.75214 18.6677 3.69549 20.1809 11.15 TIMING: 1281800 CPU: 3715.51, 0.0029107/step Wall: 3715.51, 0.0029107/step, 3.00627 hours remaining, 208.136719 MB of memory in use. ENERGY: 1281800 721.6508 2087.2224 1922.3059 107.6610 -206064.9737 17887.9696 0.0000 0.0000 34372.8634 -148965.3006 300.1868 -183338.1639 -148870.6673 298.6012 4.7977 36.8625 557809.1010 -3.6446 -3.5564 PRESSURE: 1282000 153.291 37.284 -88.8111 37.2842 106.926 234.895 -88.8107 234.896 -53.6325 GPRESSURE: 1282000 175.22 -36.8405 -62.0622 64.2584 122.823 224.403 -49.2319 193.945 7.277 PRESSAVG: 1282000 -26.1494 2.05062 5.41743 2.05064 -77.0196 31.0121 5.41738 31.0121 77.9454 GPRESSAVG: 1282000 -24.6698 2.03331 3.90795 1.11216 -77.9352 31.9973 5.39746 29.5925 77.3564 TIMING: 1282000 CPU: 3716.09, 0.00288744/step Wall: 3716.09, 0.00288744/step, 2.98208 hours remaining, 208.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1282000 731.0999 2094.8808 1959.0781 114.4279 -205906.3437 17735.0653 0.0000 0.0000 34350.8498 -148920.9417 299.9945 -183271.7916 -148825.5838 300.0370 68.8615 101.7731 557958.6547 -8.4079 -8.4162 PRESSURE: 1282200 -381.812 98.3794 -44.9619 98.3796 -285.84 185.562 -44.9626 185.56 -228.838 GPRESSURE: 1282200 -311.687 37.8621 1.57585 134.894 -241.486 202.345 -46.6556 132.014 -256.017 PRESSAVG: 1282200 -17.9221 5.16114 -57.4391 5.1612 16.7324 76.7533 -57.4391 76.7533 71.2826 GPRESSAVG: 1282200 -19.3148 4.30303 -57.1402 6.49518 17.0719 78.3575 -55.0259 77.2758 72.4956 TIMING: 1282200 CPU: 3716.67, 0.00289833/step Wall: 3716.67, 0.00289833/step, 2.99317 hours remaining, 208.136719 MB of memory in use. ENERGY: 1282200 751.7259 2097.8867 1949.9416 122.2102 -205579.4541 17281.8766 0.0000 0.0000 34381.1159 -148994.6971 300.2588 -183375.8131 -148898.7916 299.9102 -298.8299 -269.7300 559132.3237 23.3643 23.4176 PRESSURE: 1282400 231.598 -15.2688 186.478 -15.2681 -37.9164 64.3333 186.476 64.3332 15.2612 GPRESSURE: 1282400 239.39 -131.825 140.409 85.3851 43.1054 102.324 196.146 57.1093 32.1895 PRESSAVG: 1282400 -5.17011 -4.21309 -39.4411 -4.21313 -13.0793 42.2704 -39.4411 42.2705 0.101387 GPRESSAVG: 1282400 -4.11985 -2.69063 -41.054 -4.93655 -13.0182 40.1866 -40.0279 44.1917 -0.910904 TIMING: 1282400 CPU: 3717.25, 0.00290863/step Wall: 3717.25, 0.00290863/step, 3.00364 hours remaining, 208.136719 MB of memory in use. ENERGY: 1282400 728.5356 2092.9588 1952.7249 121.4909 -205994.5279 17872.0738 0.0000 0.0000 34092.9138 -149133.8301 297.7419 -183226.7439 -149043.8205 298.9751 69.6477 104.8949 558194.2201 -6.0493 -6.0163 PRESSURE: 1282600 -83.5315 71.2968 -62.9455 71.2971 420.155 -52.4634 -62.9459 -52.4628 -49.6523 GPRESSURE: 1282600 -55.5205 43.1311 -15.4654 22.1511 469.275 -117.201 -37.886 -118.844 -17.6098 PRESSAVG: 1282600 10.3702 -36.3646 7.99576 -36.3646 55.3936 -42.6093 7.99578 -42.6093 -44.1561 GPRESSAVG: 1282600 10.1732 -35.6159 7.80327 -35.9864 55.3709 -41.3699 8.40602 -44.6306 -43.3571 TIMING: 1282600 CPU: 3717.83, 0.00290602/step Wall: 3717.83, 0.00290602/step, 3.00079 hours remaining, 208.136719 MB of memory in use. ENERGY: 1282600 727.3287 2095.8128 1945.2028 122.7482 -206135.4411 17905.3764 0.0000 0.0000 34125.4403 -149213.5318 298.0260 -183338.9721 -149117.0850 299.1360 95.6571 132.0481 558355.0493 7.2026 7.3957 PRESSURE: 1282800 -104.87 159.247 209.794 159.247 -221.386 19.9861 209.794 19.9847 -78.6477 GPRESSURE: 1282800 -98.4668 99.8389 214.642 122.479 -148.252 1.15286 216.798 101.209 -63.1506 PRESSAVG: 1282800 -7.95406 -10.1877 3.41968 -10.1878 -41.6064 0.154083 3.41966 0.154111 5.56287 GPRESSAVG: 1282800 -8.00232 -10.6934 2.9226 -11.8274 -40.2727 0.683924 3.71804 0.525275 3.99859 TIMING: 1282800 CPU: 3718.41, 0.00290297/step Wall: 3718.41, 0.00290297/step, 2.99748 hours remaining, 208.136719 MB of memory in use. ENERGY: 1282800 724.2854 2080.0640 1929.2421 115.7240 -206070.6830 17681.0956 0.0000 0.0000 34105.8213 -149434.4507 297.8546 -183540.2720 -149340.5362 299.0560 -134.9677 -103.2897 558531.1760 -14.6659 -14.7588 PRESSURE: 1283000 147.257 -68.7814 118.895 -68.7808 -41.5012 48.6929 118.896 48.6932 -351.565 GPRESSURE: 1283000 176.943 -11.1218 123.724 -114.203 -10.1173 68.3638 136.11 20.431 -314.521 PRESSAVG: 1283000 70.1016 61.0865 -10.8771 61.0866 -44.337 13.7946 -10.877 13.7946 -20.3708 GPRESSAVG: 1283000 70.7788 61.4797 -9.37799 62.5765 -46.2278 12.8376 -13.824 13.6765 -19.2436 TIMING: 1283000 CPU: 3718.98, 0.00287313/step Wall: 3718.98, 0.00287313/step, 2.9665 hours remaining, 208.136719 MB of memory in use. ENERGY: 1283000 783.0747 2105.3339 1918.7056 108.8223 -206059.4684 17853.9097 0.0000 0.0000 33919.2354 -149370.3869 296.2251 -183289.6224 -149288.2847 298.5813 -81.9365 -49.2318 558386.7048 1.7979 1.7691 PRESSURE: 1283200 -157.267 22.4445 16.618 22.4449 -195.988 14.8301 16.617 14.8299 336.408 GPRESSURE: 1283200 -108.36 -92.7355 2.48939 50.9583 -144.14 57.9993 -107.269 41.3026 325.392 PRESSAVG: 1283200 -40.8193 50.8442 78.5449 50.8441 -9.80346 56.5694 78.545 56.5693 86.7852 GPRESSAVG: 1283200 -40.8684 51.8632 77.1581 48.2369 -9.86261 57.4955 81.89 55.9057 86.4607 TIMING: 1283200 CPU: 3719.56, 0.00286892/step Wall: 3719.56, 0.00286892/step, 2.962 hours remaining, 208.136719 MB of memory in use. ENERGY: 1283200 707.7122 2133.0933 1929.8617 126.3741 -206411.2307 17977.0304 0.0000 0.0000 34277.2070 -149259.9520 299.3514 -183537.1589 -149162.2070 299.0890 -5.6156 24.2974 559353.5531 12.0541 11.9099 PRESSURE: 1283400 -239.492 181.254 -102.488 181.253 -28.1341 -2.73632 -102.487 -2.73658 -219.097 GPRESSURE: 1283400 -208.306 199.234 -60.8303 203.683 -4.70153 97.8592 -107.585 -27.9358 -187.939 PRESSAVG: 1283400 -11.247 72.594 -44.0208 72.5939 11.4723 -17.4968 -44.0208 -17.4968 -7.90617 GPRESSAVG: 1283400 -11.3791 72.0225 -42.8965 73.6188 10.9004 -17.4113 -46.2934 -16.0359 -7.43579 TIMING: 1283400 CPU: 3720.14, 0.00289399/step Wall: 3720.14, 0.00289399/step, 2.98773 hours remaining, 208.136719 MB of memory in use. ENERGY: 1283400 763.8184 2086.9137 1950.4344 113.9178 -206271.3696 17771.6726 0.0000 0.0000 34445.3225 -149139.2901 300.8196 -183584.6126 -149039.6552 299.5027 -162.2413 -133.6487 559010.5302 -2.5603 -2.6381 PRESSURE: 1283600 30.3432 38.6417 120.548 38.6421 -258.698 -14.1171 120.548 -14.1189 -135.03 GPRESSURE: 1283600 44.208 -51.7874 158.41 23.2542 -269.459 -33.1877 51.0154 -4.06472 -58.6485 PRESSAVG: 1283600 49.1087 45.1091 -52.9766 45.1091 41.2809 12.7178 -52.9766 12.7177 -54.5351 GPRESSAVG: 1283600 48.0366 42.0575 -53.0305 45.684 42.2782 11.4854 -53.3423 12.0555 -54.0369 TIMING: 1283600 CPU: 3720.71, 0.00289328/step Wall: 3720.71, 0.00289328/step, 2.98683 hours remaining, 208.136719 MB of memory in use. ENERGY: 1283600 737.3846 2171.4458 1940.0754 113.0788 -206356.8531 17818.3264 0.0000 0.0000 34178.9730 -149397.5692 298.4935 -183576.5422 -149303.7537 299.3231 -121.1283 -94.6330 558909.3129 11.9515 12.0926 PRESSURE: 1283800 88.6623 -66.9635 54.0465 -66.9639 186.529 31.9522 54.0457 31.9506 -123.173 GPRESSURE: 1283800 96.6316 -47.4203 48.2299 -87.5965 219.385 6.84336 79.2805 -40.1 -70.1403 PRESSAVG: 1283800 33.6554 24.864 -57.1315 24.864 85.9864 8.99926 -57.1314 8.99917 -56.21 GPRESSAVG: 1283800 33.5126 26.6981 -57.5882 24.0783 85.5833 8.91332 -55.8029 8.4563 -55.3044 TIMING: 1283800 CPU: 3721.3, 0.00291096/step Wall: 3721.3, 0.00291096/step, 3.00492 hours remaining, 208.136719 MB of memory in use. ENERGY: 1283800 733.8763 2165.3467 1937.7390 115.3707 -206547.0492 17927.4721 0.0000 0.0000 34266.3696 -149400.8748 299.2567 -183667.2444 -149308.8293 299.6258 50.6725 81.9588 557978.2678 21.1439 21.2639 PRESSURE: 1284000 -362.721 63.9968 -3.913 63.9959 -104.117 88.94 -3.91346 88.9397 -96.718 GPRESSURE: 1284000 -358.739 94.5096 -42.5006 78.3731 -65.4955 66.8388 -11.6938 158.308 -45.7646 PRESSAVG: 1284000 -58.0093 -18.6494 -2.79662 -18.6493 44.2245 -18.6003 -2.79666 -18.6003 0.308528 GPRESSAVG: 1284000 -57.1729 -18.493 -4.03 -17.4621 44.288 -17.6042 -1.92662 -18.4976 -1.16967 TIMING: 1284000 CPU: 3721.88, 0.00290889/step Wall: 3721.88, 0.00290889/step, 3.00262 hours remaining, 208.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1284000 730.2927 2177.2697 1945.0538 123.2840 -206204.3699 17586.1159 0.0000 0.0000 34145.8439 -149496.5099 298.2041 -183642.3538 -149397.8557 298.9137 -187.8519 -156.6665 557590.9330 -4.4921 -4.6848 PRESSURE: 1284200 -75.4093 -132.491 69.5861 -132.49 -164.625 -108.303 69.586 -108.304 15.0733 GPRESSURE: 1284200 -23.3988 -220.393 59.3552 -21.1352 -129.872 -162.573 196.751 14.6738 38.2755 PRESSAVG: 1284200 -5.28735 43.3854 -12.236 43.3854 10.9143 17.3497 -12.2358 17.3495 -29.5958 GPRESSAVG: 1284200 -5.03212 42.7628 -11.5637 43.2685 10.4661 16.4217 -12.4949 17.4482 -29.439 TIMING: 1284200 CPU: 3722.46, 0.00289833/step Wall: 3722.46, 0.00289833/step, 2.99156 hours remaining, 208.136719 MB of memory in use. ENERGY: 1284200 729.0964 2094.0350 1953.1764 113.4895 -206411.7692 17811.2710 0.0000 0.0000 34039.2678 -149671.4331 297.2734 -183710.7009 -149570.5432 298.1963 -74.9871 -38.3319 557411.2366 -7.9896 -8.0017 LDB: ============= START OF LOAD BALANCING ============== 3725.85 LDB: ============== END OF LOAD BALANCING =============== 3725.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3725.85 LDB: ============= START OF LOAD BALANCING ============== 3726.14 LDB: Largest compute 4822 load 0.027123 is 23.0% of average load 0.117957 LDB: Average compute 0.001713 is 1.5% of average load 0.117957 LDB: TIME 3726.14 LOAD: AVG 0.117957 MAX 0.183601 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.137 MB LDB: TIME 3726.14 LOAD: AVG 0.117957 MAX 0.183601 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.34 MB LDB: TIME 3726.14 LOAD: AVG 0.117957 MAX 0.183601 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.34 MB LDB: ============== END OF LOAD BALANCING =============== 3726.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3726.15 PRESSURE: 1284400 -42.157 -76.7025 -2.2099 -76.7013 -94.3014 -109.021 -2.21008 -109.02 -73.7673 GPRESSURE: 1284400 37.4292 -109.303 21.1631 -89.1601 -29.3542 -116.379 8.77556 -127.971 -122.235 PRESSAVG: 1284400 5.15123 15.0317 -4.55243 15.0317 -23.9632 -57.8269 -4.55239 -57.8268 20.0684 GPRESSAVG: 1284400 5.15829 16.316 -3.69274 14.225 -24.334 -57.3279 -6.48198 -57.9298 20.1495 TIMING: 1284400 CPU: 3723.05, 0.00297035/step Wall: 3723.05, 0.00297035/step, 3.06573 hours remaining, 208.359375 MB of memory in use. ENERGY: 1284400 711.3020 2101.2114 1937.6516 112.4451 -206500.2615 17929.9956 0.0000 0.0000 34072.9066 -149634.7492 297.5672 -183707.6558 -149544.8756 297.2662 -70.0753 -38.0535 559064.2414 0.4188 0.3246 PRESSURE: 1284600 58.1301 56.3445 -34.0277 56.3446 96.3769 -137.099 -34.0278 -137.098 7.31909 GPRESSURE: 1284600 123.26 47.8594 -3.42262 130.498 55.1433 -179.006 -13.3151 -120.819 60.5526 PRESSAVG: 1284600 6.44419 32.2595 -45.5232 32.2594 -9.91136 -16.7134 -45.5232 -16.7133 1.22923 GPRESSAVG: 1284600 6.99914 30.5595 -45.1236 33.9743 -10.864 -17.5493 -43.4906 -16.5901 1.60797 TIMING: 1284600 CPU: 3723.63, 0.0029124/step Wall: 3723.63, 0.0029124/step, 3.00576 hours remaining, 208.394531 MB of memory in use. ENERGY: 1284600 727.0089 2050.0383 1929.6459 107.3979 -206688.4217 18079.6959 0.0000 0.0000 34179.1663 -149615.4685 298.4952 -183794.6348 -149516.6658 297.5580 53.9420 79.6521 557162.9451 -0.7460 -0.7523 PRESSURE: 1284800 36.3935 56.7672 -61.3289 56.7678 -102.807 36.3723 -61.3294 36.3716 -104.712 GPRESSURE: 1284800 45.1775 22.7561 -36.574 137.658 -22.9273 107.896 -92.1219 63.343 -100.997 PRESSAVG: 1284800 -8.49191 -3.89544 -42.8751 -3.89542 -4.06713 -24.3264 -42.8751 -24.3264 33.3021 GPRESSAVG: 1284800 -8.94507 -2.63528 -43.6816 -3.60316 -3.70035 -23.8431 -43.5393 -23.614 32.9206 TIMING: 1284800 CPU: 3724.22, 0.0029126/step Wall: 3724.22, 0.0029126/step, 3.0058 hours remaining, 208.394531 MB of memory in use. ENERGY: 1284800 731.4704 2090.5400 1928.6869 104.8970 -206296.5145 17780.3054 0.0000 0.0000 34143.4162 -149517.1986 298.1829 -183660.6148 -149431.4435 298.6256 -57.0416 -26.2488 555389.5870 6.9143 6.7584 PRESSURE: 1285000 168.243 17.6677 -190.185 17.6674 121.112 -84.1647 -190.185 -84.1634 13.9741 GPRESSURE: 1285000 202.752 51.0329 -238.891 14.9303 116.018 -11.4943 -132.363 -133.099 77.7739 PRESSAVG: 1285000 -14.3459 38.858 43.2688 38.8581 -17.8661 -44.7168 43.2689 -44.7168 10.7166 GPRESSAVG: 1285000 -15.0375 39.562 44.0845 35.5845 -17.3726 -44.5458 42.6575 -45.5572 10.4532 TIMING: 1285000 CPU: 3724.8, 0.00292091/step Wall: 3724.8, 0.00292091/step, 3.01422 hours remaining, 208.394531 MB of memory in use. ENERGY: 1285000 720.2444 2164.6606 1975.4760 108.0794 -206457.2691 17917.8692 0.0000 0.0000 34071.6713 -149499.2681 297.5564 -183570.9394 -149408.0958 298.6615 101.1098 132.1811 555351.7756 -7.1651 -7.3190 PRESSURE: 1285200 164.392 24.6235 -12.0678 24.6236 126.274 125.438 -12.067 125.438 206.987 GPRESSURE: 1285200 147.42 3.37011 -54.9598 63.2194 146.892 75.3181 -32.5532 112.94 304.775 PRESSAVG: 1285200 -9.98547 42.4526 70.8498 42.4526 -28.8678 -5.6606 70.8497 -5.66057 78.2998 GPRESSAVG: 1285200 -10.9212 42.6414 69.1903 42.0633 -27.6942 -6.65199 70.1711 -3.34937 78.2163 TIMING: 1285200 CPU: 3725.38, 0.00290293/step Wall: 3725.38, 0.00290293/step, 2.9955 hours remaining, 208.394531 MB of memory in use. ENERGY: 1285200 716.6620 2107.8765 1993.3249 119.7290 -206639.2103 18120.2718 0.0000 0.0000 34221.8675 -149359.4785 298.8681 -183581.3460 -149268.1666 299.1450 165.8844 199.6954 556451.6998 13.1488 13.2003 PRESSURE: 1285400 -335.558 9.13434 52.3853 9.13599 -37.9318 233.261 52.3838 233.26 -46.3161 GPRESSURE: 1285400 -341.796 -64.0344 21.1407 16.2665 24.4285 213.846 26.5473 259.15 -16.8417 PRESSAVG: 1285400 -25.1016 45.3813 21.4045 45.3813 6.51296 78.11 21.4046 78.1101 13.0612 GPRESSAVG: 1285400 -24.5775 44.38 22.3742 45.5634 5.41906 76.6935 21.9776 78.1141 13.7719 TIMING: 1285400 CPU: 3725.96, 0.00289728/step Wall: 3725.96, 0.00289728/step, 2.98951 hours remaining, 208.394531 MB of memory in use. ENERGY: 1285400 743.3326 2142.8412 1940.0853 114.9821 -206524.3266 17782.7121 0.0000 0.0000 34300.0800 -149500.2934 299.5511 -183800.3734 -149402.1990 298.8783 -139.9352 -111.4029 556947.9792 -1.8425 -1.7955 PRESSURE: 1285600 -251.358 61.0855 26.6776 61.0855 -231.023 -172.688 26.6778 -172.687 190.299 GPRESSURE: 1285600 -197.598 25.8024 139.813 -29.7743 -216.135 -153.721 -18.6665 -237.735 214.777 PRESSAVG: 1285600 38.3748 33.8293 40.0914 33.8293 -19.7057 -39.5297 40.0914 -39.5297 -34.3649 GPRESSAVG: 1285600 37.9689 35.5155 39.6972 34.0045 -19.1336 -37.9205 40.6247 -41.7872 -34.739 TIMING: 1285600 CPU: 3726.54, 0.00287811/step Wall: 3726.54, 0.00287811/step, 2.96957 hours remaining, 208.394531 MB of memory in use. ENERGY: 1285600 672.1338 2107.3594 1973.0161 118.8705 -205994.2346 17497.8110 0.0000 0.0000 34311.8003 -149313.2435 299.6535 -183625.0438 -149217.0970 298.8617 -97.3607 -66.3186 557680.7780 -5.2319 -5.3012 PRESSURE: 1285800 251.911 -11.2555 7.66294 -11.2557 94.034 14.6398 7.66384 14.6387 24.2233 GPRESSURE: 1285800 244.532 -5.48827 -54.072 -47.2375 132.896 -148.314 69.6123 38.599 95.2793 PRESSAVG: 1285800 36.4663 -8.61543 6.82646 -8.61547 -50.6375 -42.8944 6.82646 -42.8945 24.4826 GPRESSAVG: 1285800 37.2671 -8.77013 5.2942 -8.70847 -50.4476 -43.5248 7.19808 -42.0379 23.824 TIMING: 1285800 CPU: 3727.11, 0.00287395/step Wall: 3727.11, 0.00287395/step, 2.96512 hours remaining, 208.394531 MB of memory in use. ENERGY: 1285800 717.0758 2150.2289 1981.4184 121.6236 -206599.9324 18090.0231 0.0000 0.0000 34207.7096 -149331.8530 298.7444 -183539.5626 -149240.0356 298.8520 123.3894 157.5690 556071.9584 3.4371 3.5478 PRESSURE: 1286000 19.6596 1.94074 -155.17 1.9414 16.7078 49.3919 -155.17 49.3904 40.1501 GPRESSURE: 1286000 33.763 -14.156 -203.449 -14.12 62.7423 -25.707 -63.6665 49.7531 74.0268 PRESSAVG: 1286000 -70.692 -46.9124 6.3631 -46.9124 -13.8796 -3.93444 6.36316 -3.93441 58.3608 GPRESSAVG: 1286000 -70.7478 -46.6605 7.08227 -47.1265 -13.7331 -2.43698 7.16528 -4.86411 58.3348 TIMING: 1286000 CPU: 3727.69, 0.002899/step Wall: 3727.69, 0.002899/step, 2.9908 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1286000 747.4477 2075.5019 1949.5339 116.0775 -206480.6867 17921.1529 0.0000 0.0000 34162.0962 -149508.8765 298.3461 -183670.9728 -149417.0711 298.6112 25.5058 56.8440 558152.0871 -8.7369 -8.7153 PRESSURE: 1286200 223.503 56.362 34.5634 56.3608 406.853 -70.0442 34.5621 -70.0437 170.49 GPRESSURE: 1286200 263.858 88.1446 9.23138 110.662 397.366 -107.674 0.9945 -67.5387 222.103 PRESSAVG: 1286200 30.6324 -0.176719 -44.5427 -0.176749 -38.8372 5.24121 -44.5426 5.24128 24.5514 GPRESSAVG: 1286200 31.5363 -1.23659 -43.4556 0.0975101 -39.0263 4.85427 -45.2971 8.04971 23.8529 TIMING: 1286200 CPU: 3728.27, 0.00288668/step Wall: 3728.27, 0.00288668/step, 2.97793 hours remaining, 208.394531 MB of memory in use. ENERGY: 1286200 715.4710 2163.3196 1930.7416 113.2874 -206572.7938 18254.3169 0.0000 0.0000 33959.0052 -149436.6522 296.5724 -183395.6574 -149341.8501 297.6551 266.9488 294.4423 558676.8728 5.4489 5.4543 PRESSURE: 1286400 -215.739 -29.2276 65.5412 -29.2291 -168.596 2.99851 65.5411 2.99801 -137.863 GPRESSURE: 1286400 -173.897 -99.0437 97.6804 -35.4805 -114.447 -73.8835 105.569 14.6607 -141.147 PRESSAVG: 1286400 -13.92 -18.3832 2.6331 -18.3832 -15.9965 42.189 2.63311 42.1891 15.2658 GPRESSAVG: 1286400 -13.9437 -18.0979 2.51766 -17.0091 -16.5331 43.3915 3.06736 40.5468 15.2556 TIMING: 1286400 CPU: 3728.85, 0.00290548/step Wall: 3728.85, 0.00290548/step, 2.99717 hours remaining, 208.394531 MB of memory in use. ENERGY: 1286400 726.1622 2130.3395 1897.8440 112.1244 -206107.6263 17693.3775 0.0000 0.0000 34193.6807 -149354.0981 298.6219 -183547.7788 -149258.2779 298.3467 -174.0659 -143.1637 558875.4033 -4.8836 -5.0737 PRESSURE: 1286600 -206.381 -70.2619 -1.0384 -70.263 -345.469 132.654 -1.03762 132.654 74.3869 GPRESSURE: 1286600 -196.432 -106.656 56.8433 -32.8939 -238.235 62.3991 13.989 152.489 70.6373 PRESSAVG: 1286600 -3.27866 -2.45925 34.4398 -2.45927 -23.4865 37.8578 34.4399 37.8578 4.43486 GPRESSAVG: 1286600 -3.90185 -2.09825 35.1859 -4.38074 -22.0326 37.1876 34.1011 38.2889 4.08814 TIMING: 1286600 CPU: 3729.43, 0.00289764/step Wall: 3729.43, 0.00289764/step, 2.98891 hours remaining, 208.394531 MB of memory in use. ENERGY: 1286600 736.3110 2074.0832 1972.3571 114.9331 -206142.7539 17709.8883 0.0000 0.0000 34154.2442 -149380.9370 298.2775 -183535.1812 -149286.4080 298.8675 -159.1543 -121.3430 557578.5001 -7.4434 -7.2821 PRESSURE: 1286800 88.9678 12.9358 62.1238 12.9355 -52.6545 290.893 62.1236 290.893 207.334 GPRESSURE: 1286800 189.285 41.5023 9.71554 -48.6387 -43.4037 247.132 36.2749 288.6 206.305 PRESSAVG: 1286800 10.2966 -52.2389 -5.70887 -52.2391 -21.1275 30.5882 -5.70876 30.5883 30.0579 GPRESSAVG: 1286800 11.5462 -55.0339 -5.84197 -50.648 -22.17 30.0932 -5.50954 31.5317 29.9449 TIMING: 1286800 CPU: 3730.01, 0.00291468/step Wall: 3730.01, 0.00291468/step, 3.00633 hours remaining, 208.394531 MB of memory in use. ENERGY: 1286800 722.9644 2115.5827 1935.8522 108.7325 -206712.6441 18157.6546 0.0000 0.0000 34211.8307 -149460.0270 298.7804 -183671.8577 -149361.6391 298.9163 81.2157 117.3953 557345.5616 6.4090 6.4404 PRESSURE: 1287000 14.3087 28.1221 -1.00712 28.1223 -116.1 -89.2326 -1.00593 -89.2333 -114.565 GPRESSURE: 1287000 12.622 108.894 -94.4848 57.0562 -112.427 -98.6339 66.8493 -67.0689 -28.0847 PRESSAVG: 1287000 -4.72964 11.4448 -12.6225 11.4447 -39.1241 65.1704 -12.6225 65.1703 37.1271 GPRESSAVG: 1287000 -5.80151 13.656 -12.946 9.68653 -39.3737 64.7455 -13.0811 66.2813 37.8072 TIMING: 1287000 CPU: 3730.59, 0.00288757/step Wall: 3730.59, 0.00288757/step, 2.97821 hours remaining, 208.394531 MB of memory in use. ENERGY: 1287000 778.4789 2102.1657 1939.0294 113.4369 -206416.4551 17842.1614 0.0000 0.0000 34239.2225 -149401.9602 299.0196 -183641.1827 -149306.4938 298.5919 -72.1189 -42.6299 557453.0380 -2.2422 -2.4560 PRESSURE: 1287200 -215.565 -151.327 -85.4411 -151.326 -8.01708 97.345 -85.4406 97.3452 47.8231 GPRESSURE: 1287200 -205.605 -115.476 -28.4362 -198.486 55.0858 112.704 -41.5799 27.0862 74.166 PRESSAVG: 1287200 -1.87868 22.0416 -21.1069 22.0416 25.2365 -6.06128 -21.1069 -6.06123 21.065 GPRESSAVG: 1287200 -0.693374 21.3212 -20.6953 22.0693 26.6813 -6.90785 -19.9076 -7.89548 19.1492 TIMING: 1287200 CPU: 3731.17, 0.00287927/step Wall: 3731.17, 0.00287927/step, 2.96949 hours remaining, 208.394531 MB of memory in use. ENERGY: 1287200 721.6265 2090.6046 1941.4390 110.8392 -206561.1632 17920.5227 0.0000 0.0000 34362.8776 -149413.2534 300.0996 -183776.1311 -149326.2359 299.0127 -58.5864 -25.4510 557746.8125 14.8076 15.0457 PRESSURE: 1287400 59.5817 19.2835 61.7326 19.2839 15.1055 1.4305 61.7337 1.4315 -198.102 GPRESSURE: 1287400 71.0521 95.4053 -2.80031 70.3818 14.7957 32.6276 30.0135 57.8163 -116.799 PRESSAVG: 1287400 7.85995 22.5104 17.2221 22.5104 -33.7407 30.8762 17.2223 30.8762 -11.8808 GPRESSAVG: 1287400 6.86343 24.9993 15.6104 22.9099 -33.7898 32.6464 15.5147 30.1081 -10.7581 TIMING: 1287400 CPU: 3731.74, 0.00287778/step Wall: 3731.74, 0.00287778/step, 2.96779 hours remaining, 208.394531 MB of memory in use. ENERGY: 1287400 767.7131 2071.6575 1943.6626 109.5761 -205960.9969 17609.7304 0.0000 0.0000 34140.6368 -149318.0204 298.1587 -183458.6572 -149218.1995 299.0714 -41.1384 -10.3171 556528.8779 -12.5872 -12.5615 PRESSURE: 1287600 42.6949 -137.952 -121.822 -137.952 -196.053 115.491 -121.825 115.492 -153.952 GPRESSURE: 1287600 67.923 -209.233 -8.62069 -95.4265 -119.632 193.62 -147.908 34.0814 -151.807 PRESSAVG: 1287600 38.4946 -53.5502 -20.9916 -53.5502 1.90963 -34.8089 -20.9916 -34.809 -31.2677 GPRESSAVG: 1287600 38.7623 -56.3028 -18.4357 -51.4247 0.979038 -36.7455 -18.6037 -33.7132 -30.5871 TIMING: 1287600 CPU: 3732.32, 0.00291198/step Wall: 3732.32, 0.00291198/step, 3.0029 hours remaining, 208.394531 MB of memory in use. ENERGY: 1287600 758.9466 2066.8727 1922.6270 112.7694 -206041.2939 17673.3165 0.0000 0.0000 34299.4455 -149207.3160 299.5456 -183506.7616 -149106.1437 299.5025 -102.4366 -67.8385 557164.5025 3.0455 3.0514 PRESSURE: 1287800 -8.43295 -74.6001 51.5883 -74.6001 -383.441 18.8114 51.5883 18.8102 -194.199 GPRESSURE: 1287800 14.8061 -116.576 -19.4529 -145.655 -358.108 -16.524 -24.694 59.0033 -149.367 PRESSAVG: 1287800 60.6193 -78.6912 -1.22686 -78.6912 -4.21141 -7.21239 -1.22686 -7.21248 -9.38279 GPRESSAVG: 1287800 60.4028 -76.355 -4.09546 -81.0404 -2.95586 -7.28223 -3.60707 -8.42668 -10.0893 TIMING: 1287800 CPU: 3732.91, 0.00290471/step Wall: 3732.91, 0.00290471/step, 2.99524 hours remaining, 208.394531 MB of memory in use. ENERGY: 1287800 742.2766 2138.5186 1942.1543 109.3476 -205848.9174 17448.1634 0.0000 0.0000 34276.0746 -149192.3822 299.3415 -183468.4568 -149094.8822 299.6421 -195.3578 -164.2228 557993.4779 15.6750 15.7859 PRESSURE: 1288000 -213.173 -139.991 44.016 -139.993 -137.363 66.9803 44.0159 66.9819 247.594 GPRESSURE: 1288000 -159.256 -161.628 -15.518 -126.638 -117.166 108.645 91.4691 63.472 282.442 PRESSAVG: 1288000 85.822 -89.9997 -14.1059 -89.9996 -30.9712 -1.13075 -14.1058 -1.13063 -3.79058 GPRESSAVG: 1288000 84.6394 -91.0145 -12.8859 -88.9387 -30.8389 -2.7108 -14.8877 -0.0412907 -2.86567 TIMING: 1288000 CPU: 3733.49, 0.00290195/step Wall: 3733.49, 0.00290195/step, 2.99223 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1288000 721.0130 2076.9281 1936.5932 125.7869 -206204.8275 17891.5082 0.0000 0.0000 34312.0512 -149140.9469 299.6557 -183452.9981 -149042.0072 299.2507 -34.3138 2.0064 557918.3853 17.0201 16.9783 PRESSURE: 1288200 -278.297 -105.383 43.7461 -105.382 9.50244 -125.702 43.7465 -125.704 -270.308 GPRESSURE: 1288200 -164.868 -164.119 117.476 -101.568 -47.7629 -145.409 -37.0665 -128.307 -233.026 PRESSAVG: 1288200 25.2746 -43.2665 7.27977 -43.2665 61.8814 48.0718 7.27969 48.072 -39.6257 GPRESSAVG: 1288200 27.0666 -41.9556 5.14276 -43.1308 61.5142 49.8972 12.4679 46.8551 -40.547 TIMING: 1288200 CPU: 3734.07, 0.00294606/step Wall: 3734.07, 0.00294606/step, 3.03755 hours remaining, 208.394531 MB of memory in use. ENERGY: 1288200 775.5489 2085.4915 1941.7600 122.7573 -205910.5904 17645.7612 0.0000 0.0000 34113.1709 -149226.1005 297.9188 -183339.2714 -149126.7326 299.4845 -179.7010 -148.5522 559258.0704 15.8435 16.0113 LDB: ============= START OF LOAD BALANCING ============== 3737.46 LDB: ============== END OF LOAD BALANCING =============== 3737.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3737.47 LDB: ============= START OF LOAD BALANCING ============== 3737.76 LDB: Largest compute 4822 load 0.026021 is 22.1% of average load 0.117917 LDB: Average compute 0.001712 is 1.5% of average load 0.117917 LDB: TIME 3737.76 LOAD: AVG 0.117917 MAX 0.18506 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 3737.76 LOAD: AVG 0.117917 MAX 0.18506 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 3737.76 LOAD: AVG 0.117917 MAX 0.18506 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: ============== END OF LOAD BALANCING =============== 3737.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3737.76 PRESSURE: 1288400 127.351 -39.1879 -90.476 -39.1864 110.313 119.647 -90.4762 119.647 179.898 GPRESSURE: 1288400 175.283 -14.3382 -118.617 -134.53 180.722 65.8418 -61.1331 122.893 154.781 PRESSAVG: 1288400 47.357 -57.219 13.8301 -57.219 33.0739 36.5028 13.8301 36.5028 -95.1053 GPRESSAVG: 1288400 47.1181 -57.078 15.6012 -58.9388 33.1662 38.8168 12.1848 35.3207 -94.9554 TIMING: 1288400 CPU: 3734.67, 0.002972/step Wall: 3734.67, 0.002972/step, 3.06413 hours remaining, 209.058594 MB of memory in use. ENERGY: 1288400 690.6881 2090.6756 1891.8752 97.8187 -206566.4900 18090.4786 0.0000 0.0000 34387.9282 -149317.0257 300.3183 -183704.9538 -149220.3031 298.8055 139.1876 170.2619 558150.8022 -4.8915 -4.8904 PRESSURE: 1288600 -170.453 38.8465 83.9649 38.8473 164.454 -102.591 83.9641 -102.592 62.6386 GPRESSURE: 1288600 -106.049 67.1351 57.8731 -84.9459 168.463 -84.8292 81.0578 -86.1347 88.3931 PRESSAVG: 1288600 43.3951 -26.1404 15.4466 -26.1405 37.9947 -30.5424 15.4466 -30.5424 -45.5641 GPRESSAVG: 1288600 43.8043 -27.0582 15.8741 -24.4954 37.6063 -33.3083 13.8725 -27.0367 -46.0494 TIMING: 1288600 CPU: 3735.25, 0.00292193/step Wall: 3735.25, 0.00292193/step, 3.01234 hours remaining, 209.058594 MB of memory in use. ENERGY: 1288600 689.0838 2012.9702 1917.3646 126.2195 -206122.2915 17674.3723 0.0000 0.0000 34425.5738 -149276.7073 300.6471 -183702.2811 -149181.8786 299.2736 18.8801 50.2693 557056.9176 11.9419 11.7871 PRESSURE: 1288800 46.2511 -98.0374 14.6237 -98.0375 -112.754 -25.4184 14.6237 -25.4181 213.22 GPRESSURE: 1288800 130.889 -74.7168 66.4853 -39.59 -99.7579 -52.0656 42.3483 -31.1286 210.119 PRESSAVG: 1288800 -7.0185 -22.1815 19.604 -22.1814 16.7431 -21.1519 19.604 -21.152 13.7728 GPRESSAVG: 1288800 -6.5504 -23.1374 21.3238 -22.9029 17.4781 -20.1368 20.2322 -23.7551 12.7256 TIMING: 1288800 CPU: 3735.84, 0.00291976/step Wall: 3735.84, 0.00291976/step, 3.00995 hours remaining, 209.257812 MB of memory in use. ENERGY: 1288800 714.0248 2074.9019 1904.3621 121.9690 -206351.2419 17924.0317 0.0000 0.0000 34297.5624 -149314.3900 299.5291 -183611.9525 -149220.5692 299.0699 48.9059 80.4167 556973.9433 7.8324 7.8845 PRESSURE: 1289000 -13.7593 -10.7078 -69.9029 -10.7084 144.029 26.2491 -69.9032 26.2496 -16.7764 GPRESSURE: 1289000 -6.50096 -57.6293 -8.32325 125.332 224.314 11.825 -121.381 19.7244 -11.8714 PRESSAVG: 1289000 33.6699 -68.8051 6.32314 -68.8051 -77.2235 -49.8397 6.32307 -49.8397 26.1144 GPRESSAVG: 1289000 32.0993 -67.8603 3.97727 -68.737 -77.1055 -49.7293 9.00438 -48.9284 27.2115 TIMING: 1289000 CPU: 3736.42, 0.00291134/step Wall: 3736.42, 0.00291134/step, 3.00111 hours remaining, 209.257812 MB of memory in use. ENERGY: 1289000 735.8128 2054.2448 1945.2495 122.0206 -206498.4938 17961.2712 0.0000 0.0000 34221.5393 -149458.3556 298.8652 -183679.8948 -149368.7866 299.4534 37.8311 68.6471 556856.0308 -5.8131 -5.9316 PRESSURE: 1289200 -153.993 -7.35763 -6.25332 -7.35723 -194.685 -33.6526 -6.25483 -33.6523 -79.6413 GPRESSURE: 1289200 -106.157 4.2498 13.486 -14.5638 -182.016 -113.707 79.3053 4.1612 -44.7859 PRESSAVG: 1289200 41.6501 -26.3205 29.7189 -26.3206 -88.8852 -8.60012 29.7189 -8.60014 -16.5716 GPRESSAVG: 1289200 41.6837 -27.2106 31.3855 -24.9814 -89.834 -7.78642 28.6488 -8.59704 -15.7848 TIMING: 1289200 CPU: 3737, 0.00290618/step Wall: 3737, 0.00290618/step, 2.99563 hours remaining, 209.257812 MB of memory in use. ENERGY: 1289200 766.0646 2084.3220 1908.9686 118.5181 -205964.1570 17712.2210 0.0000 0.0000 34113.0051 -149261.0577 297.9174 -183374.0628 -149162.0064 298.7710 -142.7730 -110.9864 558636.0781 -21.2689 -21.3117 PRESSURE: 1289400 80.2733 -89.2875 -35.5538 -89.288 -174.345 -51.0056 -35.5544 -51.0053 282.848 GPRESSURE: 1289400 100.5 -73.5566 -48.7469 -160.105 -147.323 16.3671 -8.77216 -71.3672 343.451 PRESSAVG: 1289400 -7.19079 -24.3405 -0.792884 -24.3405 30.8319 -20.8877 -0.792913 -20.8877 -28.4501 GPRESSAVG: 1289400 -6.18461 -23.0743 -0.488572 -25.6218 29.5993 -21.0901 -2.33248 -22.7692 -28.4823 TIMING: 1289400 CPU: 3737.58, 0.00290158/step Wall: 3737.58, 0.00290158/step, 2.99072 hours remaining, 209.257812 MB of memory in use. ENERGY: 1289400 775.6782 2070.7583 1928.6682 119.2932 -206331.1431 18029.3720 0.0000 0.0000 34176.8078 -149230.5653 298.4746 -183407.3731 -149130.0946 298.6182 62.9255 98.8760 558403.5083 -1.6030 -1.6892 PRESSURE: 1289600 18.3682 236.452 -43.4706 236.451 -152.323 -53.3284 -43.4705 -53.3268 183.595 GPRESSURE: 1289600 39.1128 192.24 -7.82825 267.359 -152.958 -16.1848 -105.644 -95.2255 258.451 PRESSAVG: 1289600 -29.8794 13.7358 -2.25665 13.7357 50.322 9.28706 -2.25674 9.28703 13.7372 GPRESSAVG: 1289600 -30.231 12.218 -4.10876 15.1709 51.4037 7.8716 -1.49754 10.8587 13.076 TIMING: 1289600 CPU: 3738.16, 0.00288984/step Wall: 3738.16, 0.00288984/step, 2.97846 hours remaining, 209.257812 MB of memory in use. ENERGY: 1289600 751.2671 2056.9714 1934.0737 110.0169 -206154.1200 17932.4915 0.0000 0.0000 34064.2451 -149305.0544 297.4915 -183369.2994 -149214.4781 298.4986 16.5467 48.2020 559286.8144 11.3933 11.4162 PRESSURE: 1289800 -133.001 39.3379 62.9958 39.3381 190.123 -134.428 62.9954 -134.428 -195.216 GPRESSURE: 1289800 -142.668 19.6779 31.6316 62.4847 288.588 -106.884 -11.2283 -117.269 -186.62 PRESSAVG: 1289800 -10.1133 49.7779 -25.9852 49.7779 47.309 -47.2184 -25.9852 -47.2183 -12.2673 GPRESSAVG: 1289800 -9.24847 48.6785 -23.6339 50.3576 48.0469 -46.64 -26.3627 -47.0884 -13.7767 TIMING: 1289800 CPU: 3738.74, 0.00290719/step Wall: 3738.74, 0.00290719/step, 2.99619 hours remaining, 209.328125 MB of memory in use. ENERGY: 1289800 758.0868 2055.8897 1937.3056 118.3370 -206271.5012 17785.1214 0.0000 0.0000 34376.4421 -149240.3187 300.2180 -183616.7608 -149144.0757 298.6810 -46.0316 -13.5668 558184.9518 8.3095 8.3406 PRESSURE: 1290000 -207.023 102.76 -93.2598 102.759 -181.628 -211.939 -93.2603 -211.939 -219.807 GPRESSURE: 1290000 -97.7038 81.1995 -131.233 6.17788 -214.951 -210.22 -138.047 -135.998 -189.228 PRESSAVG: 1290000 -19.7489 -30.2194 31.2969 -30.2194 29.8037 -16.341 31.297 -16.3409 3.66542 GPRESSAVG: 1290000 -20.4605 -28.8555 29.2899 -31.8968 29.0298 -15.2766 32.4681 -18.6379 5.18159 TIMING: 1290000 CPU: 3739.32, 0.00291316/step Wall: 3739.32, 0.00291316/step, 3.00218 hours remaining, 209.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1290000 733.6017 2056.2164 1924.6718 109.3518 -205748.6324 17499.3223 0.0000 0.0000 34160.1925 -149265.2759 298.3295 -183425.4684 -149165.1229 299.1950 -202.8196 -167.2941 557851.2324 4.5734 4.5836 PRESSURE: 1290200 -134.599 -20.9727 -160.488 -20.9727 -347.964 -47.1924 -160.488 -47.191 -176.504 GPRESSURE: 1290200 -57.3877 -28.4574 -146.384 -74.4331 -322.279 -41.309 -181.469 -5.01197 -169.817 PRESSAVG: 1290200 50.9117 -27.7134 -68.3603 -27.7133 -43.8796 -34.3468 -68.3602 -34.3467 -44.5756 GPRESSAVG: 1290200 52.4461 -28.5971 -70.8313 -25.2845 -43.9802 -34.8173 -65.8179 -31.3439 -46.1039 TIMING: 1290200 CPU: 3739.9, 0.00290648/step Wall: 3739.9, 0.00290648/step, 2.99513 hours remaining, 209.328125 MB of memory in use. ENERGY: 1290200 742.4416 2013.8903 1928.6794 114.0887 -205955.3761 17523.9748 0.0000 0.0000 34090.7524 -149541.5490 297.7230 -183632.3014 -149445.8767 297.9020 -219.6887 -183.1615 558464.5015 -12.5145 -12.5460 PRESSURE: 1290400 -49.1357 -107.177 -105.545 -107.177 -45.3187 82.2794 -105.544 82.2796 -118.856 GPRESSURE: 1290400 -54.6146 -118.564 -106.68 -121.921 -16.0485 158.703 -140.482 97.2611 -46.5728 PRESSAVG: 1290400 -6.68292 -73.4871 -31.4757 -73.4871 51.5512 -17.0899 -31.4758 -17.0898 -48.4258 GPRESSAVG: 1290400 -8.29214 -73.4286 -30.067 -74.5475 50.4701 -16.4242 -33.7442 -17.0343 -46.9719 TIMING: 1290400 CPU: 3740.49, 0.00292668/step Wall: 3740.49, 0.00292668/step, 3.01578 hours remaining, 209.328125 MB of memory in use. ENERGY: 1290400 735.4111 2019.7626 1919.5854 116.7235 -206210.4443 17776.7759 0.0000 0.0000 34287.0622 -149355.1237 299.4374 -183642.1858 -149257.0490 298.5171 -71.1035 -39.0786 557029.4892 -1.1858 -1.5980 PRESSURE: 1290600 -263.986 -14.7935 -169.855 -14.7929 -199.013 45.9189 -169.854 45.9175 -274.806 GPRESSURE: 1290600 -218.843 -66.0727 -95.1392 -32.2378 -153.588 48.398 -222.768 15.526 -279.129 PRESSAVG: 1290600 33.1317 -51.4083 -4.99167 -51.4082 29.4779 7.60303 -4.99172 7.60319 -93.9708 GPRESSAVG: 1290600 32.2477 -51.6885 -4.39952 -54.337 29.7811 5.59978 -3.27881 5.83657 -93.412 TIMING: 1290600 CPU: 3741.07, 0.00291404/step Wall: 3741.07, 0.00291404/step, 3.00259 hours remaining, 209.328125 MB of memory in use. ENERGY: 1290600 739.4841 2044.6944 1942.5208 118.7417 -205620.9761 17381.3116 0.0000 0.0000 34205.2005 -149189.0229 298.7225 -183394.2234 -149086.4196 299.0257 -245.9351 -217.1866 559065.3521 -10.4537 -10.4611 PRESSURE: 1290800 62.2037 -140.874 37.5328 -140.873 117.81 -145.319 37.5321 -145.318 70.9756 GPRESSURE: 1290800 119.222 -199.88 69.9406 -84.457 184.063 -90.8803 26.239 -141.452 47.5145 PRESSAVG: 1290800 -3.47773 -48.8269 36.9412 -48.8269 17.9878 -51.7604 36.9412 -51.7603 25.2901 GPRESSAVG: 1290800 -2.50883 -48.645 36.7281 -45.8714 17.1818 -50.3014 33.7595 -50.9228 25.5171 TIMING: 1290800 CPU: 3741.66, 0.00292214/step Wall: 3741.66, 0.00292214/step, 3.01077 hours remaining, 209.328125 MB of memory in use. ENERGY: 1290800 729.1461 2072.8724 1912.9463 115.1176 -206443.7519 18029.1783 0.0000 0.0000 34213.7882 -149370.7030 298.7975 -183584.4912 -149273.4997 298.1771 83.6632 116.9331 557007.3389 13.2667 13.3967 PRESSURE: 1291000 221.203 122.092 14.1893 122.091 -215.797 133.965 14.1892 133.965 -33.5582 GPRESSURE: 1291000 259.914 89.0654 -36.8707 198.305 -235.002 134.978 50.9126 9.6063 40.9975 PRESSAVG: 1291000 41.0975 0.938191 -83.3689 0.938261 -32.5842 4.85605 -83.3688 4.85602 -10.5462 GPRESSAVG: 1291000 40.8203 2.45852 -84.3389 0.510677 -31.2304 3.48577 -81.1706 4.02541 -11.7193 TIMING: 1291000 CPU: 3742.24, 0.00292694/step Wall: 3742.24, 0.00292695/step, 3.01557 hours remaining, 209.328125 MB of memory in use. ENERGY: 1291000 715.1258 2053.0966 1951.2033 103.5750 -206250.6780 18018.4031 0.0000 0.0000 34178.2835 -149230.9907 298.4875 -183409.2742 -149134.1694 299.7077 -9.3839 21.9700 559663.0354 -0.6776 -0.7098 PRESSURE: 1291200 -366.333 169.22 65.5139 169.22 -147.108 -252.704 65.5132 -252.703 56.6272 GPRESSURE: 1291200 -301.763 258.738 76.637 179.51 -117.013 -275.271 -33.0711 -244.732 48.1735 PRESSAVG: 1291200 -33.2276 19.0457 -2.58065 19.0456 -7.97483 -33.8776 -2.58064 -33.8775 -11.0265 GPRESSAVG: 1291200 -34.0195 15.6881 -3.61666 20.8858 -8.65798 -34.0847 -2.45705 -33.9409 -9.48789 TIMING: 1291200 CPU: 3742.82, 0.00290691/step Wall: 3742.82, 0.00290691/step, 2.99476 hours remaining, 209.328125 MB of memory in use. ENERGY: 1291200 705.9803 2039.3640 1925.3195 122.0214 -205623.6142 17443.0762 0.0000 0.0000 34090.0109 -149297.8419 297.7165 -183387.8528 -149196.9392 298.8581 -152.2714 -123.5343 561085.1702 -17.4097 -17.3884 PRESSURE: 1291400 -16.3694 73.3922 197.426 73.3904 115.55 -127.369 197.425 -127.367 148.82 GPRESSURE: 1291400 -7.89449 95.9206 278.876 73.332 163.628 -150.401 159.364 -55.4131 179.12 PRESSAVG: 1291400 20.9344 28.5142 4.04592 28.5142 4.60818 -28.8985 4.04596 -28.8985 -8.09521 GPRESSAVG: 1291400 22.0639 30.506 3.56653 26.499 5.44753 -29.1531 4.00671 -26.7639 -9.83291 TIMING: 1291400 CPU: 3743.4, 0.00287832/step Wall: 3743.4, 0.00287832/step, 2.96515 hours remaining, 209.328125 MB of memory in use. ENERGY: 1291400 768.6903 2070.5424 1944.4943 120.2809 -206478.1658 18095.9356 0.0000 0.0000 34149.4705 -149328.7518 298.2358 -183478.2223 -149233.4856 297.9018 82.6671 111.6177 558699.7875 5.8158 5.8929 PRESSURE: 1291600 99.7153 -125.711 1.16817 -125.712 -168.994 154.759 1.16795 154.762 -99.9819 GPRESSURE: 1291600 117.08 -159.158 -3.98515 -170.604 -133.86 143.526 -39.3594 106.379 -54.6226 PRESSAVG: 1291600 38.7573 73.9541 13.9948 73.9542 -52.837 14.0941 13.9948 14.0942 -14.8337 GPRESSAVG: 1291600 38.0099 74.2744 17.607 73.8171 -53.6718 15.1662 13.2382 13.6362 -13.3392 TIMING: 1291600 CPU: 3743.98, 0.00289085/step Wall: 3743.98, 0.00289085/step, 2.97789 hours remaining, 209.328125 MB of memory in use. ENERGY: 1291600 735.3945 2082.1941 1957.1912 116.3719 -206330.1402 17811.1058 0.0000 0.0000 34276.9276 -149350.9550 299.3489 -183627.8827 -149259.0833 298.7515 -56.4203 -23.8008 557967.4094 -9.6378 -9.6670 PRESSURE: 1291800 88.9075 -89.2392 48.424 -89.2403 -62.0014 111.502 48.424 111.503 102.31 GPRESSURE: 1291800 123.415 -104.378 85.2914 -134.255 15.8613 177.004 114.521 135.639 80.1239 PRESSAVG: 1291800 108.09 -49.3542 22.2001 -49.3542 -72.8691 7.67988 22.2002 7.67994 37.6506 GPRESSAVG: 1291800 108.122 -48.109 20.7297 -50.6517 -72.4523 8.7606 21.3379 6.55681 37.2687 TIMING: 1291800 CPU: 3744.56, 0.00290739/step Wall: 3744.56, 0.00290739/step, 2.99478 hours remaining, 209.328125 MB of memory in use. ENERGY: 1291800 747.9534 2088.7787 1925.4090 114.9103 -206616.5799 18078.8424 0.0000 0.0000 34232.5258 -149428.1604 298.9612 -183660.6861 -149344.0946 298.7602 43.0721 73.1335 557317.9034 24.2905 24.3127 PRESSURE: 1292000 -59.055 126.243 -71.9337 126.246 13.202 5.3396 -71.9351 5.33928 81.4916 GPRESSURE: 1292000 -94.5177 88.6838 4.23286 109.438 134.154 26.0369 -128.701 -21.9678 91.6554 PRESSAVG: 1292000 45.1249 30.751 -43.3969 30.751 -46.0917 27.4126 -43.397 27.4126 6.96891 GPRESSAVG: 1292000 45.208 28.0718 -43.8603 31.4441 -45.0892 26.1887 -41.5493 27.8974 6.06828 TIMING: 1292000 CPU: 3745.14, 0.00290877/step Wall: 3745.14, 0.00290877/step, 2.99603 hours remaining, 209.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1292000 746.1031 2065.2855 1935.6677 115.9486 -206417.0000 17970.1263 0.0000 0.0000 34219.3219 -149364.5468 298.8458 -183583.8687 -149270.0839 298.5103 11.8795 43.7638 556768.1094 2.0007 2.0624 PRESSURE: 1292200 121.789 44.0775 34.9358 44.0778 -164.11 -137.025 34.9347 -137.025 52.1876 GPRESSURE: 1292200 199.681 -20.7659 -18.4368 4.9709 -169.654 -78.3085 40.6253 -160.524 76.4809 PRESSAVG: 1292200 25.1568 27.1477 17.5893 27.1477 -20.3847 -29.5833 17.5893 -29.5834 20.6294 GPRESSAVG: 1292200 24.9801 28.6311 16.3704 26.4638 -20.3259 -29.0174 16.3165 -28.6248 21.3155 TIMING: 1292200 CPU: 3745.72, 0.00290499/step Wall: 3745.72, 0.00290499/step, 2.99197 hours remaining, 209.328125 MB of memory in use. ENERGY: 1292200 750.0424 2137.7701 1910.3056 111.7431 -206408.7026 17949.4966 0.0000 0.0000 34254.9358 -149294.4090 299.1569 -183549.3447 -149197.1372 299.3534 3.2890 35.5025 557462.9627 8.4672 8.6566 LDB: ============= START OF LOAD BALANCING ============== 3749.11 LDB: ============== END OF LOAD BALANCING =============== 3749.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3749.11 LDB: ============= START OF LOAD BALANCING ============== 3749.4 LDB: Largest compute 4820 load 0.024176 is 20.5% of average load 0.117937 LDB: Average compute 0.001706 is 1.4% of average load 0.117937 LDB: TIME 3749.41 LOAD: AVG 0.117937 MAX 0.183761 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.832 MB LDB: TIME 3749.41 LOAD: AVG 0.117937 MAX 0.183761 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.832 MB LDB: TIME 3749.41 LOAD: AVG 0.117937 MAX 0.183761 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3749.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3749.41 PRESSURE: 1292400 -18.8926 -127.376 79.7236 -127.376 -193.806 -45.2622 79.7234 -45.264 -124.095 GPRESSURE: 1292400 -87.7303 -73.4873 55.768 -104.757 -120.457 -4.66276 153.303 -197.121 -37.6302 PRESSAVG: 1292400 55.4903 -24.1087 -10.6079 -24.1087 30.26 -23.1325 -10.6079 -23.1326 -71.3851 GPRESSAVG: 1292400 55.8886 -25.5018 -10.4171 -22.3599 29.8484 -23.7621 -11.2726 -24.4319 -70.7719 TIMING: 1292400 CPU: 3746.32, 0.00297466/step Wall: 3746.32, 0.00297466/step, 3.06357 hours remaining, 208.574219 MB of memory in use. ENERGY: 1292400 775.1402 2124.3551 1923.0359 103.2609 -205983.5092 17647.6015 0.0000 0.0000 34333.5924 -149076.5233 299.8438 -183410.1157 -148986.9294 298.5820 -112.2645 -81.9391 557276.5153 4.7884 4.9884 PRESSURE: 1292600 8.40001 -16.9538 73.9727 -16.9542 425.363 -49.6221 73.973 -49.6233 48.1822 GPRESSURE: 1292600 18.2709 -100.546 119.814 -9.07853 458.89 -49.5338 39.0613 -54.9658 94.9721 PRESSAVG: 1292600 -42.8344 -12.85 67.6561 -12.8501 74.8378 16.0828 67.6562 16.0828 -13.4186 GPRESSAVG: 1292600 -42.1404 -12.5421 68.26 -13.5378 74.5034 15.2499 66.8308 16.1365 -13.7967 TIMING: 1292600 CPU: 3746.9, 0.00290006/step Wall: 3746.9, 0.00290006/step, 2.98658 hours remaining, 208.832031 MB of memory in use. ENERGY: 1292600 748.2475 2078.8028 1926.0527 103.4084 -206659.0412 18094.0044 0.0000 0.0000 34570.5948 -149137.9307 301.9136 -183708.5255 -149041.7519 299.8777 160.6483 190.7109 556770.1893 6.1949 6.1888 PRESSURE: 1292800 18.266 -146.743 -39.161 -146.743 -60.1371 14.7613 -39.16 14.7606 115.246 GPRESSURE: 1292800 83.78 -80.3576 141.562 -186.828 -31.2272 -14.5615 -150.16 64.4655 118.839 PRESSAVG: 1292800 -25.1592 -23.6912 35.1668 -23.6913 52.2812 8.59389 35.1667 8.59389 -27.3485 GPRESSAVG: 1292800 -24.6289 -23.078 35.1673 -22.3193 51.4483 9.37215 36.8354 8.26706 -27.1656 TIMING: 1292800 CPU: 3747.48, 0.00291263/step Wall: 3747.48, 0.00291263/step, 2.99936 hours remaining, 208.832031 MB of memory in use. ENERGY: 1292800 728.2470 2088.8670 1895.3604 114.5815 -206362.8697 17943.6748 0.0000 0.0000 34459.1639 -149132.9751 300.9404 -183592.1390 -149034.6111 300.2713 24.4584 57.1304 558191.1715 -0.0755 -0.1154 PRESSURE: 1293000 -109.773 74.0235 145.251 74.0235 -24.3139 -37.4277 145.25 -37.4289 32.0704 GPRESSURE: 1293000 -11.4286 130.407 227.588 35.1493 -6.67594 -48.0192 93.776 7.21304 0.33208 PRESSAVG: 1293000 0.259955 -77.8094 -39.7991 -77.8093 -6.96189 6.91109 -39.7992 6.91096 18.0888 GPRESSAVG: 1293000 -0.723782 -77.9437 -40.4232 -78.9131 -6.17221 6.18923 -39.605 7.81373 18.3531 TIMING: 1293000 CPU: 3748.06, 0.00290112/step Wall: 3748.06, 0.00290112/step, 2.98735 hours remaining, 208.832031 MB of memory in use. ENERGY: 1293000 711.6423 2072.4555 1920.6973 104.4913 -205964.1483 17718.5498 0.0000 0.0000 34259.0958 -149177.2163 299.1932 -183436.3121 -149079.8636 299.2042 -34.0054 -5.9242 557895.5329 3.7956 3.8190 PRESSURE: 1293200 122.433 -38.1893 -13.1854 -38.1903 -153.992 63.0356 -13.1859 63.0354 -230.783 GPRESSURE: 1293200 93.8924 10.6478 55.9883 14.9656 -80.3573 78.409 -95.7354 63.1869 -184.731 PRESSAVG: 1293200 -12.2947 -7.20528 23.249 -7.20536 -38.3074 -7.21769 23.2491 -7.21762 42.9645 GPRESSAVG: 1293200 -12.2991 -9.01857 25.7703 -6.26235 -37.6404 -7.11876 22.3203 -6.61242 41.7959 TIMING: 1293200 CPU: 3748.64, 0.00289733/step Wall: 3748.64, 0.00289733/step, 2.98328 hours remaining, 208.832031 MB of memory in use. ENERGY: 1293200 744.9269 2114.9352 1950.6447 112.4053 -206392.6688 17766.7092 0.0000 0.0000 34541.5045 -149161.5429 301.6595 -183703.0474 -149068.7898 299.7499 -87.4470 -57.0654 557598.2404 -2.5458 -2.7145 PRESSURE: 1293400 -88.1939 -52.4853 -24.3453 -52.4866 -187.139 128.402 -24.3431 128.402 -196.058 GPRESSURE: 1293400 -63.308 -207.386 -44.3217 5.30604 -147.639 150.869 -71.8821 95.7172 -166.985 PRESSAVG: 1293400 66.8729 -34.219 13.9814 -34.219 -23.3322 -61.1095 13.9815 -61.1094 -60.2147 GPRESSAVG: 1293400 65.5559 -33.5847 11.7878 -34.2144 -24.2208 -60.3787 14.4546 -60.6054 -57.7442 TIMING: 1293400 CPU: 3749.22, 0.00289617/step Wall: 3749.22, 0.00289617/step, 2.98193 hours remaining, 208.832031 MB of memory in use. ENERGY: 1293400 710.2651 2104.2586 1951.3035 112.6395 -205469.9788 17292.7117 0.0000 0.0000 34074.0562 -149224.7441 297.5772 -183298.8003 -149126.1026 299.1740 -157.1303 -125.9771 557278.2540 -5.5580 -5.4697 PRESSURE: 1293600 -153.386 -83.8931 21.2041 -83.8948 -119.436 -96.9983 21.2037 -96.9985 -114.089 GPRESSURE: 1293600 -112.722 -108.578 49.5478 -1.16983 -49.2505 -75.2001 4.14348 -82.3915 -135.967 PRESSAVG: 1293600 -16.723 -21.6286 -39.2815 -21.6286 18.6148 -24.7154 -39.2815 -24.7154 33.1534 GPRESSAVG: 1293600 -15.9998 -22.2322 -39.0272 -20.3916 19.2385 -25.8196 -40.7227 -23.8191 31.9699 TIMING: 1293600 CPU: 3749.8, 0.00288786/step Wall: 3749.8, 0.00288786/step, 2.97321 hours remaining, 208.832031 MB of memory in use. ENERGY: 1293600 741.9036 2105.5929 1935.9752 119.5150 -206061.3000 17662.1113 0.0000 0.0000 34335.3670 -149160.8350 299.8593 -183496.2020 -149060.6279 299.1504 -128.9705 -99.3132 558245.7759 11.6817 11.7362 PRESSURE: 1293800 -57.8359 -99.3152 -51.3957 -99.3146 -176.062 -40.7553 -51.3962 -40.756 -74.9864 GPRESSURE: 1293800 -73.7423 -92.9182 -147.836 -156.215 -112.873 86.6366 -45.303 -162.549 -7.77286 PRESSAVG: 1293800 19.0793 -28.7094 -42.4385 -28.7095 19.6947 -51.2099 -42.4386 -51.2097 -62.9911 GPRESSAVG: 1293800 18.7748 -25.6205 -44.1504 -31.2974 20.583 -49.4756 -39.7911 -53.314 -63.2439 TIMING: 1293800 CPU: 3750.37, 0.00287813/step Wall: 3750.37, 0.00287813/step, 2.96303 hours remaining, 208.832031 MB of memory in use. ENERGY: 1293800 736.8295 2075.5356 1930.4232 111.5765 -205658.6961 17491.1597 0.0000 0.0000 34215.9122 -149097.2593 298.8161 -183313.1714 -148990.5448 299.9053 -102.9614 -64.7962 559575.7319 -8.0724 -7.9620 PRESSURE: 1294000 -96.4428 -79.1395 37.0558 -79.1398 -82.4496 -39.8328 37.0567 -39.8322 -117.698 GPRESSURE: 1294000 -141.849 -19.8143 38.987 -128.536 -73.0761 -26.6002 -61.388 -88.1286 -0.678585 PRESSAVG: 1294000 74.2553 -49.0467 0.479795 -49.0467 -25.613 -16.2905 0.479769 -16.2906 15.3743 GPRESSAVG: 1294000 73.9601 -48.9257 0.432647 -49.9265 -26.9304 -16.055 -0.554767 -17.3075 16.4712 TIMING: 1294000 CPU: 3750.95, 0.00290851/step Wall: 3750.95, 0.00290851/step, 2.99415 hours remaining, 208.832031 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: 1294000 733.0695 2116.9827 1942.4940 124.2245 -205935.8235 17711.6663 0.0000 0.0000 34457.1348 -148850.2517 300.9227 -183307.3865 -148756.3786 300.4340 -98.8635 -71.8678 558939.8077 21.3389 21.1670 PRESSURE: 1294200 -162.975 -42.2679 114.627 -42.2681 -447.712 -108.022 114.628 -108.021 -205.264 GPRESSURE: 1294200 -126.967 26.8877 104.318 -39.8391 -400.31 -170.903 111.041 -29.5834 -186.457 PRESSAVG: 1294200 -26.2953 -19.475 -31.79 -19.475 -19.7575 -12.6078 -31.79 -12.6079 27.1386 GPRESSAVG: 1294200 -24.9046 -20.056 -29.8247 -20.3479 -19.9681 -12.527 -32.3459 -11.4941 26.4169 TIMING: 1294200 CPU: 3751.53, 0.00289035/step Wall: 3751.53, 0.00289035/step, 2.9753 hours remaining, 208.832031 MB of memory in use. ENERGY: 1294200 802.7260 2086.8063 1919.9886 126.0127 -205547.9770 17528.0919 0.0000 0.0000 34155.3615 -148928.9899 298.2873 -183084.3514 -148831.0867 299.5964 -271.9838 -237.9116 560669.3487 -6.3048 -6.1519 PRESSURE: 1294400 -158.524 -60.5535 -49.3712 -60.554 2.90248 -1.7635 -49.3706 -1.76199 16.753 GPRESSURE: 1294400 -96.3017 -46.4885 -150.418 -40.4845 -5.35346 -1.20177 55.2027 -31.8596 51.5429 PRESSAVG: 1294400 -34.3993 -32.8263 -8.85636 -32.8263 11.9205 1.28033 -8.8564 1.28034 33.7446 GPRESSAVG: 1294400 -35.4156 -32.0971 -10.4616 -31.0608 12.2415 -0.304169 -7.93583 3.38592 34.5122 TIMING: 1294400 CPU: 3752.11, 0.00289265/step Wall: 3752.11, 0.00289265/step, 2.9775 hours remaining, 208.832031 MB of memory in use. ENERGY: 1294400 761.5109 2087.6902 1949.7818 105.3022 -206119.8734 17726.7769 0.0000 0.0000 34437.8525 -149050.9589 300.7543 -183488.8114 -148956.2017 299.9334 -46.2895 -16.7041 558367.3418 3.7552 3.7794 PRESSURE: 1294600 -314.57 25.3112 -202.499 25.3113 -173.036 130.457 -202.499 130.457 -184.603 GPRESSURE: 1294600 -313.895 3.76832 -202.414 58.2087 -117.215 117.361 -214.584 139.575 -153.608 PRESSAVG: 1294600 -2.43848 -12.5776 10.9296 -12.5775 11.1756 -31.3307 10.9296 -31.3306 21.1316 GPRESSAVG: 1294600 -2.14346 -14.7582 11.0306 -13.1382 11.0494 -30.5876 10.4752 -32.6097 20.8658 TIMING: 1294600 CPU: 3752.69, 0.00290605/step Wall: 3752.69, 0.00290605/step, 2.99113 hours remaining, 208.832031 MB of memory in use. ENERGY: 1294600 751.4195 2076.3168 1941.9264 108.1371 -205721.7736 17581.5759 0.0000 0.0000 34319.5642 -148942.8338 299.7213 -183262.3980 -148850.0439 300.5243 -224.0701 -194.9059 558380.3275 9.9562 9.9239 PRESSURE: 1294800 -78.9693 -61.6818 -30.7567 -61.6824 -129.802 -164.485 -30.7571 -164.485 -7.59518 GPRESSURE: 1294800 -9.44961 -39.1969 -83.6144 -62.2066 -104.886 -147.909 9.71404 -215.243 1.75234 PRESSAVG: 1294800 -4.72188 8.17973 -75.5144 8.17973 2.85455 -33.6607 -75.5143 -33.6606 -22.9323 GPRESSAVG: 1294800 -3.58717 9.58854 -76.8316 11.2864 2.23565 -32.1396 -75.7522 -34.8076 -23.1253 TIMING: 1294800 CPU: 3753.27, 0.00288349/step Wall: 3753.27, 0.00288349/step, 2.96776 hours remaining, 208.832031 MB of memory in use. ENERGY: 1294800 747.1344 2116.0319 1914.8110 115.7014 -206150.2852 17805.4294 0.0000 0.0000 34409.0264 -149042.1507 300.5026 -183451.1771 -148945.7158 299.9728 -72.1222 -37.5279 558763.5582 -8.2666 -8.1589 PRESSURE: 1295000 -94.6376 -16.286 -139.416 -16.2872 238.057 -24.1842 -139.414 -24.1829 3.23285 GPRESSURE: 1295000 -42.6311 5.38717 -116.991 22.2302 260.629 -39.0685 -97.9031 33.7095 35.1882 PRESSAVG: 1295000 25.0375 1.44276 -36.3591 1.44289 -38.4742 -1.50924 -36.359 -1.50912 -23.0768 GPRESSAVG: 1295000 24.0763 1.06719 -34.4197 -2.88855 -36.9201 -3.09614 -36.8122 -0.774022 -23.0888 TIMING: 1295000 CPU: 3753.85, 0.00291287/step Wall: 3753.85, 0.00291287/step, 2.99783 hours remaining, 208.898438 MB of memory in use. ENERGY: 1295000 747.9951 2079.4648 1944.8187 117.5508 -206104.3158 18089.6560 0.0000 0.0000 34206.5316 -148918.2988 298.7341 -183124.8304 -148826.3114 299.7155 48.8842 84.3954 558155.7154 -12.1712 -11.9775 PRESSURE: 1295200 -95.1359 -53.8618 -25.0497 -53.8603 14.7472 -71.2899 -25.0491 -71.2892 -68.7916 GPRESSURE: 1295200 -80.1931 -123.631 -104.9 -18.9848 15.295 -97.9647 -9.68487 -53.4771 18.6808 PRESSAVG: 1295200 20.3483 -31.9165 36.989 -31.9165 -18.1812 8.20786 36.989 8.20783 33.5015 GPRESSAVG: 1295200 21.2825 -31.9944 35.0427 -29.3913 -19.7957 7.10332 37.6521 9.30224 34.0407 TIMING: 1295200 CPU: 3754.43, 0.00290277/step Wall: 3754.43, 0.00290277/step, 2.98728 hours remaining, 208.898438 MB of memory in use. ENERGY: 1295200 751.4779 2159.2363 1928.4814 108.9669 -205733.7561 17593.3529 0.0000 0.0000 34295.7739 -148896.4668 299.5135 -183192.2407 -148800.8177 300.9666 -49.7268 -15.4057 557457.7532 11.8895 11.8425 PRESSURE: 1295400 10.5672 -80.6072 -142.545 -80.6093 -62.1075 -173.055 -142.545 -173.053 88.5116 GPRESSURE: 1295400 105.655 -130.245 -194.786 2.98713 -80.6163 -157.333 -105.329 -142.814 99.629 PRESSAVG: 1295400 38.9136 -3.61569 -82.3733 -3.61572 5.51907 -20.2517 -82.3733 -20.2517 -38.24 GPRESSAVG: 1295400 39.3045 -4.28509 -81.369 -0.965386 5.78035 -19.9972 -81.7811 -18.5126 -39.413 TIMING: 1295400 CPU: 3755.01, 0.00288004/step Wall: 3755.01, 0.00288004/step, 2.96372 hours remaining, 208.898438 MB of memory in use. ENERGY: 1295400 778.0576 2092.0802 1941.6856 119.4514 -206162.2659 17908.8671 0.0000 0.0000 34307.9678 -149014.1562 299.6200 -183322.1240 -148912.7790 300.0488 12.3238 41.5557 557115.8710 2.0643 1.8906 PRESSURE: 1295600 -333.59 18.8934 19.1389 18.8954 114.424 14.9432 19.1391 14.9424 -359.72 GPRESSURE: 1295600 -229.587 3.08014 48.5022 52.6728 132.759 3.75408 2.29845 18.0544 -400.332 PRESSAVG: 1295600 1.72542 33.9134 -12.5587 33.9134 19.4789 -51.2393 -12.5586 -51.2393 18.9343 GPRESSAVG: 1295600 1.61541 35.0855 -13.0922 30.3377 20.9478 -51.001 -13.0717 -54.4647 18.0593 TIMING: 1295600 CPU: 3755.59, 0.00291621/step Wall: 3755.59, 0.00291621/step, 3.00079 hours remaining, 208.898438 MB of memory in use. ENERGY: 1295600 765.3961 2070.5759 1915.7698 118.1060 -205626.8587 17296.2797 0.0000 0.0000 34518.8836 -148941.8476 301.4620 -183460.7312 -148843.6930 300.2110 -192.9619 -165.7202 558663.3691 13.3795 13.5408 PRESSURE: 1295800 -116.19 106.276 -73.5987 106.276 -169.401 124.636 -73.5991 124.634 -303.618 GPRESSURE: 1295800 -94.6857 184.884 -133.84 84.7797 -182.465 103.43 -18.7429 52.5399 -219.213 PRESSAVG: 1295800 27.3899 18.9263 -22.3338 18.9263 -1.79109 25.7816 -22.3337 25.7815 -35.3449 GPRESSAVG: 1295800 26.707 20.4579 -22.0965 18.8708 -2.33853 26.1751 -22.976 25.3628 -33.8383 TIMING: 1295800 CPU: 3756.17, 0.00290579/step Wall: 3756.17, 0.00290579/step, 2.9899 hours remaining, 208.898438 MB of memory in use. ENERGY: 1295800 734.8294 2170.4491 1933.4613 116.9804 -205805.2598 17632.5933 0.0000 0.0000 34325.5977 -148891.3487 299.7740 -183216.9464 -148793.1349 300.3381 -196.4030 -165.4547 558759.1500 -3.2487 -3.1566 PRESSURE: 1296000 -67.4187 52.962 -10.5355 52.9617 111.918 58.359 -10.5365 58.3595 -168.875 GPRESSURE: 1296000 -35.8212 -3.03082 -0.89362 100.355 126.716 32.1087 -28.0389 51.5691 -126.422 PRESSAVG: 1296000 42.3119 -12.3994 -11.7461 -12.3993 -4.08938 29.9259 -11.7461 29.9258 -22.4083 GPRESSAVG: 1296000 42.1179 -14.0331 -12.0203 -11.9464 -4.03919 28.4903 -10.9917 30.4521 -22.0063 TIMING: 1296000 CPU: 3756.75, 0.00290687/step Wall: 3756.75, 0.00290687/step, 2.99085 hours remaining, 208.898438 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: 1296000 776.6527 2174.4140 1906.5360 106.8584 -205929.1802 17684.6302 0.0000 0.0000 34287.2389 -148992.8501 299.4390 -183280.0889 -148896.4273 300.2512 -41.4587 -11.8422 557369.2755 5.2714 5.3575 PRESSURE: 1296200 108.467 -141.748 49.1005 -141.749 -61.6446 -185.191 49.1001 -185.189 -261.037 GPRESSURE: 1296200 157.641 -202.728 76.0425 -147.593 -74.4241 -139.652 55.6787 -127.438 -201.677 PRESSAVG: 1296200 40.0941 7.42376 34.1086 7.42362 13.8161 21.4455 34.1086 21.4455 -32.7695 GPRESSAVG: 1296200 41.1346 7.11917 35.17 8.14185 13.2864 21.4052 33.8212 22.3487 -33.0919 TIMING: 1296200 CPU: 3757.34, 0.00292209/step Wall: 3757.34, 0.00292209/step, 3.00634 hours remaining, 208.898438 MB of memory in use. ENERGY: 1296200 757.2326 2160.1066 1926.3988 113.7973 -206341.6705 17839.7674 0.0000 0.0000 34407.5061 -149136.8617 300.4893 -183544.3678 -149033.7107 300.6236 -71.4050 -39.4868 558065.8092 7.0469 7.1097 LDB: ============= START OF LOAD BALANCING ============== 3760.72 LDB: ============== END OF LOAD BALANCING =============== 3760.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3760.73 LDB: ============= START OF LOAD BALANCING ============== 3761.02 LDB: Largest compute 4820 load 0.025443 is 21.6% of average load 0.118021 LDB: Average compute 0.001696 is 1.4% of average load 0.118021 LDB: TIME 3761.02 LOAD: AVG 0.118021 MAX 0.184355 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.141 MB LDB: TIME 3761.02 LOAD: AVG 0.118021 MAX 0.184355 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.211 MB LDB: TIME 3761.02 LOAD: AVG 0.118021 MAX 0.184355 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.211 MB LDB: ============== END OF LOAD BALANCING =============== 3761.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3761.03 PRESSURE: 1296400 -186.6 -18.9794 15.0225 -18.9786 -236.2 31.1507 15.0219 31.1506 7.32337 GPRESSURE: 1296400 -151.596 35.8051 98.428 -13.962 -184.053 -5.05493 29.6474 77.9474 10.4894 PRESSAVG: 1296400 -9.81417 -33.998 28.3887 -33.9978 7.90394 23.2708 28.3887 23.2708 -4.02125 GPRESSAVG: 1296400 -10.6757 -33.0474 26.9151 -34.8936 8.77882 23.1291 28.7061 24.4885 -4.45496 TIMING: 1296400 CPU: 3757.93, 0.0029715/step Wall: 3757.93, 0.0029715/step, 3.05702 hours remaining, 208.175781 MB of memory in use. ENERGY: 1296400 727.8211 2141.4894 1914.1755 116.2802 -205969.5412 17568.3205 0.0000 0.0000 34255.8508 -149245.6036 299.1649 -183501.4545 -149146.3071 299.5030 -138.4925 -108.3866 557865.3243 -1.9772 -2.1173 PRESSURE: 1296600 -109.833 36.3197 -119.19 36.3194 146.68 31.9829 -119.189 31.9821 -152.28 GPRESSURE: 1296600 -84.3737 -27.6872 -209.78 -9.51253 112.446 66.7106 -112.234 -42.8265 -50.2478 PRESSAVG: 1296600 17.7388 12.746 5.24848 12.746 61.8436 40.1418 5.2484 40.1418 -60.4932 GPRESSAVG: 1296600 19.1161 12.6337 5.4603 14.3571 61.8522 40.4089 5.05162 39.1742 -62.326 TIMING: 1296600 CPU: 3758.52, 0.00292027/step Wall: 3758.52, 0.00292027/step, 3.00415 hours remaining, 208.175781 MB of memory in use. ENERGY: 1296600 720.8752 2128.8349 1937.1678 93.8687 -206279.6971 17765.2463 0.0000 0.0000 34452.7320 -149180.9722 300.8843 -183633.7042 -149082.6981 299.7296 -38.4778 -7.3919 557551.2449 6.3631 6.2141 PRESSURE: 1296800 59.7515 -103.614 -181.797 -103.614 -65.505 50.7362 -181.796 50.7349 192.893 GPRESSURE: 1296800 75.1641 -71.4392 -176.612 -16.0372 -24.1414 43.803 -178.613 -42.9527 233.062 PRESSAVG: 1296800 -18.3528 -7.08788 -20.0359 -7.08795 92.0729 2.25209 -20.0358 2.25216 -89.8745 GPRESSAVG: 1296800 -19.3792 -6.19833 -19.9623 -10.5813 92.1151 2.35774 -19.6981 -0.761633 -88.8647 TIMING: 1296800 CPU: 3759.1, 0.00292107/step Wall: 3759.1, 0.00292107/step, 3.0048 hours remaining, 208.175781 MB of memory in use. ENERGY: 1296800 725.1700 2123.4966 1925.4332 106.1123 -206166.1717 17768.9597 0.0000 0.0000 34468.0423 -149048.9578 301.0180 -183517.0000 -148952.9357 300.3209 62.3799 94.6950 556481.3217 -5.3848 -5.3762 PRESSURE: 1297000 18.5851 -47.8165 -44.694 -47.8167 -303.99 20.3405 -44.6929 20.3406 -254.999 GPRESSURE: 1297000 3.94685 -75.1001 -113.517 17.2297 -261.737 24.4589 38.1997 36.2554 -178.702 PRESSAVG: 1297000 30.3474 17.4882 -42.0116 17.4882 -82.211 -12.1206 -42.0116 -12.1205 48.4598 GPRESSAVG: 1297000 30.8068 15.7834 -43.2451 19.4505 -82.4914 -11.3138 -40.6904 -11.7274 48.5985 TIMING: 1297000 CPU: 3759.68, 0.00288585/step Wall: 3759.68, 0.00288585/step, 2.96842 hours remaining, 208.175781 MB of memory in use. ENERGY: 1297000 765.7969 2108.2194 1942.3297 113.1034 -205602.7152 17620.5183 0.0000 0.0000 34112.8496 -148939.8979 297.9160 -183052.7474 -148843.2592 300.5154 -180.1346 -145.4973 558975.7303 -1.1346 -1.0287 PRESSURE: 1297200 -146.038 -18.4158 -63.1503 -18.4152 -209.266 102.426 -63.1509 102.427 64.4925 GPRESSURE: 1297200 -129.454 -2.1569 -19.36 -27.3704 -184.236 144.529 -47.0997 56.038 106.91 PRESSAVG: 1297200 1.81364 34.5266 2.42889 34.5266 -33.5946 34.3773 2.42888 34.3772 24.6712 GPRESSAVG: 1297200 2.20636 33.044 2.46005 34.4819 -33.2779 32.5832 -0.939192 36.6528 24.2694 TIMING: 1297200 CPU: 3760.25, 0.00289027/step Wall: 3760.25, 0.00289027/step, 2.97281 hours remaining, 208.175781 MB of memory in use. ENERGY: 1297200 767.4555 2093.0376 1922.8845 95.5414 -205990.7162 17771.9894 0.0000 0.0000 34354.2406 -148985.5671 300.0241 -183339.8077 -148891.3441 300.6382 -96.9371 -68.9266 557862.8555 -2.3699 -2.2674 PRESSURE: 1297400 16.5111 168.76 55.0139 168.761 163.927 -167.238 55.0139 -167.238 380.746 GPRESSURE: 1297400 114.793 144.894 147.348 147.073 131.827 -157.272 -5.82728 -88.2997 401.759 PRESSAVG: 1297400 -30.8006 -3.57285 21.0909 -3.57274 -33.2568 -8.47542 21.0909 -8.47536 27.2833 GPRESSAVG: 1297400 -30.6308 -3.58783 22.6095 -1.97882 -34.2145 -7.54747 22.3802 -9.80191 27.8137 TIMING: 1297400 CPU: 3760.84, 0.00291427/step Wall: 3760.84, 0.00291427/step, 2.99733 hours remaining, 208.175781 MB of memory in use. ENERGY: 1297400 690.0813 2100.1170 1931.6244 112.5162 -205986.5111 17916.9964 0.0000 0.0000 34212.4135 -149022.7623 298.7855 -183235.1758 -148923.5074 300.7474 187.0615 216.1264 555424.7577 -12.2580 -12.3439 PRESSURE: 1297600 -273.177 -48.342 158.258 -48.3417 81.9558 -21.4672 158.257 -21.4683 79.358 GPRESSURE: 1297600 -179.654 -63.3935 159.564 23.0623 65.4259 -47.1295 174.066 -9.71222 95.0183 PRESSAVG: 1297600 13.6975 -33.3321 -14.734 -33.3322 -24.2737 60.1175 -14.734 60.1174 22.2689 GPRESSAVG: 1297600 13.4487 -32.588 -15.699 -34.0993 -24.3354 62.4426 -14.1044 58.5074 22.3192 TIMING: 1297600 CPU: 3761.42, 0.00292186/step Wall: 3761.42, 0.00292186/step, 3.00497 hours remaining, 208.175781 MB of memory in use. ENERGY: 1297600 730.0095 2010.7925 1896.7006 107.2051 -206072.9758 17797.5199 0.0000 0.0000 34427.4620 -149103.2861 300.6636 -183530.7481 -149000.9505 299.9303 -37.2877 -6.4031 558009.1910 3.8976 3.8109 PRESSURE: 1297800 -342.616 -48.2758 -65.8915 -48.2747 -15.0542 -10.572 -65.8908 -10.5734 164.322 GPRESSURE: 1297800 -284.101 1.29193 -131.575 -134.588 42.7794 -9.49582 -101.669 -7.60627 140.29 PRESSAVG: 1297800 69.6422 -62.9644 11.5362 -62.9645 -70.812 28.1526 11.5363 28.1525 26.8464 GPRESSAVG: 1297800 68.9134 -60.2415 11.7208 -63.9231 -69.5619 27.8403 10.9568 28.0988 26.4787 TIMING: 1297800 CPU: 3762, 0.00291074/step Wall: 3762, 0.00291074/step, 2.99337 hours remaining, 208.175781 MB of memory in use. ENERGY: 1297800 723.4678 2067.7003 1901.0755 116.0692 -205788.9145 17721.9183 0.0000 0.0000 34213.5121 -149045.1712 298.7951 -183258.6834 -148947.8216 299.5537 -64.4495 -33.6773 558956.8160 8.5589 8.6101 PRESSURE: 1298000 -211.117 144.083 -96.3835 144.084 -75.2287 114.566 -96.3845 114.568 -204.281 GPRESSURE: 1298000 -156.641 149.188 -132.109 137.576 -44.6887 94.1076 -114.643 162.727 -179.197 PRESSAVG: 1298000 -60.5575 10.0428 -19.9499 10.0428 -2.73814 35.0151 -19.9499 35.0152 104.917 GPRESSAVG: 1298000 -59.9578 6.45077 -19.6446 9.85984 -4.2103 34.8009 -20.8504 37.1329 105.554 TIMING: 1298000 CPU: 3762.58, 0.00289082/step Wall: 3762.58, 0.00289082/step, 2.97273 hours remaining, 208.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1298000 737.1632 2043.3403 1952.3428 110.4824 -206010.7680 17705.8529 0.0000 0.0000 34353.5172 -149108.0692 300.0178 -183461.5865 -149011.8206 299.6659 -163.5423 -126.8421 558694.4537 13.8738 13.7955 PRESSURE: 1298200 -13.6605 61.4937 42.14 61.4931 -8.53529 40.5399 42.138 40.5391 -42.4718 GPRESSURE: 1298200 -16.0928 9.10496 69.9358 61.9865 8.28702 -27.2881 67.8756 86.1241 34.308 PRESSAVG: 1298200 -37.2801 40.5942 42.6448 40.5942 -28.3019 26.9807 42.6449 26.9807 39.9827 GPRESSAVG: 1298200 -36.8807 41.9168 42.3937 40.9855 -27.7964 26.2662 43.9339 25.648 39.3078 TIMING: 1298200 CPU: 3763.17, 0.00291548/step Wall: 3763.17, 0.00291548/step, 2.99792 hours remaining, 208.175781 MB of memory in use. ENERGY: 1298200 749.5051 2102.2116 1924.8484 114.8717 -205925.2346 17800.0747 0.0000 0.0000 34111.8449 -149121.8783 297.9072 -183233.7232 -149030.6736 299.1520 -21.5559 8.8341 558136.9432 -8.5331 -8.4564 PRESSURE: 1298400 111.205 -4.16658 128.489 -4.1663 -54.1772 -20.1988 128.489 -20.1986 -132.378 GPRESSURE: 1298400 111.199 -4.03907 71.0552 -33.2273 -40.3436 -46.9322 223.149 -28.9059 -50.365 PRESSAVG: 1298400 -44.8642 27.2127 29.1688 27.2127 17.2595 22.5308 29.1688 22.5308 27.8341 GPRESSAVG: 1298400 -45.7764 27.4736 29.2837 26.3164 16.9857 22.5091 29.1385 23.0525 28.6068 TIMING: 1298400 CPU: 3763.75, 0.0029103/step Wall: 3763.75, 0.0029103/step, 2.99244 hours remaining, 208.175781 MB of memory in use. ENERGY: 1298400 725.5098 2107.1490 1938.7008 110.5816 -206007.5329 17618.6095 0.0000 0.0000 34318.7448 -149188.2373 299.7141 -183506.9821 -149088.8064 299.1399 -25.1167 6.8302 556876.7405 0.0764 -0.0613 PRESSURE: 1298600 79.1261 94.4742 134.805 94.4732 178.966 18.0246 134.803 18.0234 79.2789 GPRESSURE: 1298600 157.946 148.738 108.549 115.401 203.999 -15.7344 191.881 72.2679 67.5318 PRESSAVG: 1298600 28.4381 89.0637 13.63 89.0637 -4.09999 25.267 13.63 25.267 36.723 GPRESSAVG: 1298600 28.1663 87.4419 13.7764 89.7343 -4.09464 25.4542 11.5654 26.0564 37.0666 TIMING: 1298600 CPU: 3764.33, 0.00288711/step Wall: 3764.33, 0.00288711/step, 2.96843 hours remaining, 208.175781 MB of memory in use. ENERGY: 1298600 748.5101 2057.1559 1939.6916 107.7165 -206493.6917 18141.1046 0.0000 0.0000 34442.4672 -149057.0457 300.7946 -183499.5130 -148962.0547 299.3998 112.4570 143.1589 556068.6552 20.3537 20.3794 PRESSURE: 1298800 -274.474 117.336 -58.5362 117.335 -58.6143 -18.2361 -58.537 -18.2352 -159.323 GPRESSURE: 1298800 -229.241 34.8872 -54.8361 95.0707 30.2984 11.5548 -102.778 20.398 -186.461 PRESSAVG: 1298800 -8.11644 -7.13241 47.9082 -7.13236 -7.5606 57.0288 47.9082 57.0289 -3.10554 GPRESSAVG: 1298800 -7.70771 -4.78725 48.3215 -7.67425 -6.19533 57.4691 49.668 56.0957 -5.0476 TIMING: 1298800 CPU: 3764.91, 0.00292147/step Wall: 3764.91, 0.00292147/step, 3.00359 hours remaining, 208.175781 MB of memory in use. ENERGY: 1298800 746.3166 2053.8423 1945.5688 113.9625 -205545.3590 17499.2103 0.0000 0.0000 34120.5991 -149065.8594 297.9837 -183186.4585 -148970.4022 299.3213 -164.1370 -128.4677 558139.4142 -6.2609 -6.3169 PRESSURE: 1299000 -334.278 -90.8978 -133.262 -90.8986 25.2546 13.9883 -133.263 13.9894 -153.024 GPRESSURE: 1299000 -263.961 -148.736 -228.814 -10.8635 4.1011 3.4978 -94.4729 18.3386 -104.756 PRESSAVG: 1299000 -1.93416 40.655 -73.9548 40.655 26.7198 9.43907 -73.9548 9.43904 -2.78345 GPRESSAVG: 1299000 -1.2331 41.3193 -74.9495 41.4772 25.4986 7.7014 -75.4863 11.1677 -2.01985 TIMING: 1299000 CPU: 3765.49, 0.00290243/step Wall: 3765.49, 0.00290243/step, 2.98386 hours remaining, 208.175781 MB of memory in use. ENERGY: 1299000 750.8982 2082.9822 1970.1940 119.4058 -206035.0383 17517.4464 0.0000 0.0000 34524.6376 -149069.4741 301.5122 -183594.1116 -148979.0093 299.8821 -154.0158 -121.5386 557387.4234 7.3341 7.4152 PRESSURE: 1299200 -177.349 -24.4956 -104.697 -24.4947 -342.825 44.454 -104.698 44.455 208.814 GPRESSURE: 1299200 -144.038 -0.215243 -29.6 -105.81 -292.355 109 -189.765 37.4447 218.834 PRESSAVG: 1299200 12.4326 -20.0457 9.66704 -20.0457 16.6939 2.23616 9.66699 2.23608 8.40216 GPRESSAVG: 1299200 12.779 -22.8754 9.67437 -18.7547 17.4729 2.70283 12.1066 3.23292 7.21402 TIMING: 1299200 CPU: 3766.07, 0.00290296/step Wall: 3766.07, 0.00290296/step, 2.98424 hours remaining, 208.175781 MB of memory in use. ENERGY: 1299200 779.3027 2079.3674 1920.6408 109.3163 -206004.7766 17748.0755 0.0000 0.0000 34291.1816 -149076.8923 299.4734 -183368.0739 -148976.4947 299.5707 -103.7868 -72.5197 557141.8754 12.5096 12.4887 PRESSURE: 1299400 13.8564 -64.2327 -113.233 -64.2325 12.1563 -32.2451 -113.232 -32.2451 14.1663 GPRESSURE: 1299400 48.7079 -22.584 -139.555 -88.7736 16.1911 -61.0996 -47.3677 0.994342 70.6667 PRESSAVG: 1299400 26.6155 -18.4605 13.9003 -18.4606 -17.5693 20.4878 13.9004 20.4879 -50.1957 GPRESSAVG: 1299400 25.1631 -15.2003 15.5444 -21.9455 -18.9759 19.7623 12.9687 19.5865 -47.5685 TIMING: 1299400 CPU: 3766.65, 0.00289161/step Wall: 3766.65, 0.00289161/step, 2.97241 hours remaining, 208.175781 MB of memory in use. ENERGY: 1299400 720.5964 2127.5185 1936.0041 109.5760 -205830.6383 17600.9950 0.0000 0.0000 34234.3521 -149101.5962 298.9771 -183335.9483 -149006.7278 299.7320 13.3930 45.1885 556921.2767 -13.7165 -13.7937 PRESSURE: 1299600 186.674 -26.7083 61.62 -26.7058 312.362 -68.3085 61.6208 -68.3085 -68.1062 GPRESSURE: 1299600 227.822 30.5736 22.9307 -40.3942 307.839 -20.4476 61.5905 -144.035 -12.3029 PRESSAVG: 1299600 60.3434 -41.0816 -9.30378 -41.0815 2.53333 6.73478 -9.30379 6.73476 -54.5376 GPRESSAVG: 1299600 60.3705 -43.8108 -9.45278 -36.8509 4.30859 7.88072 -10.9932 6.73683 -56.6419 TIMING: 1299600 CPU: 3767.22, 0.002873/step Wall: 3767.22, 0.002873/step, 2.95312 hours remaining, 208.175781 MB of memory in use. ENERGY: 1299600 723.7504 2119.5575 1967.7566 120.5252 -205938.6415 17763.8493 0.0000 0.0000 34340.4231 -148902.7794 299.9035 -183243.2024 -148809.1148 299.7914 143.6434 174.4527 556084.2885 2.7797 2.6790 PRESSURE: 1299800 164.064 148.022 -88.7408 148.022 -23.9867 -40.8528 -88.7415 -40.8514 -129.514 GPRESSURE: 1299800 222.039 76.9373 -24.7535 120.605 29.7797 -73.9161 11.0586 -82.1448 -141.107 PRESSAVG: 1299800 62.4282 38.632 -18.3328 38.632 -38.3182 -65.3707 -18.3328 -65.3706 9.08138 GPRESSAVG: 1299800 62.2652 41.0509 -19.4882 35.7272 -39.453 -65.1775 -15.1696 -65.5738 10.2252 TIMING: 1299800 CPU: 3767.8, 0.00287853/step Wall: 3767.8, 0.00287853/step, 2.95865 hours remaining, 208.175781 MB of memory in use. ENERGY: 1299800 733.7987 2131.0731 1960.8374 106.7426 -206308.7398 17933.9561 0.0000 0.0000 34409.4707 -149032.8613 300.5065 -183442.3320 -148934.4335 300.3822 3.5209 36.9039 555695.6584 11.0638 11.0125 PRESSURE: 1300000 20.7663 -129.076 151.642 -129.076 -126.788 127.097 151.641 127.095 -263.882 GPRESSURE: 1300000 52.069 -138.208 135.441 -146.223 -54.7134 209.595 76.9631 97.1778 -277.854 PRESSAVG: 1300000 47.2619 -13.6597 18.7867 -13.6598 -15.6637 34.199 18.7867 34.1992 31.9441 GPRESSAVG: 1300000 47.1503 -16.4427 19.9092 -12.0143 -15.0983 35.2623 18.7372 33.2576 31.3063 TIMING: 1300000 CPU: 3768.38, 0.00288422/step Wall: 3768.38, 0.00288422/step, 2.96433 hours remaining, 208.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1300000 765.5976 2088.7344 1964.8027 112.6235 -205766.5337 17543.7365 0.0000 0.0000 34343.1819 -148947.8570 299.9275 -183291.0389 -148850.2817 300.5073 -123.3014 -93.4996 557518.1859 21.1808 21.1194 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1300200 -91.6283 -39.3128 78.0243 -39.3137 -99.915 -81.461 78.0236 -81.4615 -117.216 GPRESSURE: 1300200 -98.8369 -87.5338 96.1557 -28.9739 -74.3704 -49.2629 -2.78717 -70.5758 -43.2593 PRESSAVG: 1300200 0.567156 -50.8295 18.7533 -50.8295 -0.566409 -5.73039 18.7533 -5.73047 -24.7467 GPRESSAVG: 1300200 1.07189 -47.5944 19.2558 -51.4399 -2.22274 -7.20212 16.7729 -5.8936 -23.8831 TIMING: 1300200 CPU: 3769.07, 0.00347753/step Wall: 3769.07, 0.00347753/step, 3.57394 hours remaining, 208.175781 MB of memory in use. ENERGY: 1300200 758.7644 2107.1109 1956.3445 138.8734 -206093.1765 17729.2305 0.0000 0.0000 34389.0994 -149013.7535 300.3286 -183402.8529 -148907.1913 300.2430 -102.9196 -72.1555 558671.7222 -8.2487 -8.3446 LDB: ============= START OF LOAD BALANCING ============== 3772.46 LDB: ============== END OF LOAD BALANCING =============== 3772.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3772.46 LDB: ============= START OF LOAD BALANCING ============== 3772.75 LDB: Largest compute 4820 load 0.025256 is 21.4% of average load 0.117999 LDB: Average compute 0.001703 is 1.4% of average load 0.117999 LDB: TIME 3772.75 LOAD: AVG 0.117999 MAX 0.187425 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.379 MB LDB: TIME 3772.75 LOAD: AVG 0.117999 MAX 0.187425 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.379 MB LDB: TIME 3772.75 LOAD: AVG 0.117999 MAX 0.187425 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3772.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3772.76 PRESSURE: 1300400 30.0998 -102.916 84.7177 -102.915 -32.0499 173.02 84.7174 173.021 -13.2296 GPRESSURE: 1300400 125.665 -45.0003 38.4869 -98.3143 -36.0634 115.587 129.09 172.751 -1.75575 PRESSAVG: 1300400 -9.78884 -59.299 25.4406 -59.299 -4.74733 10.1407 25.4407 10.1407 6.25827 GPRESSAVG: 1300400 -9.88014 -60.3373 24.7677 -59.4145 -3.78696 9.15297 26.2886 10.4305 5.14029 TIMING: 1300400 CPU: 3769.66, 0.00296765/step Wall: 3769.66, 0.00296765/step, 3.04976 hours remaining, 208.699219 MB of memory in use. ENERGY: 1300400 770.3800 2131.1139 1936.6256 127.7752 -206188.3966 17926.7587 0.0000 0.0000 34416.1285 -148879.6147 300.5646 -183295.7433 -148781.1779 300.4451 -5.0599 29.2820 557119.5184 -2.7593 -2.8423 PRESSURE: 1300600 -149.4 -86.9258 97.7763 -86.9251 -82.2115 -63.4543 97.7764 -63.4539 -69.6297 GPRESSURE: 1300600 -115.47 -8.95004 32.5078 -149.698 -10.5702 -13.7646 132.504 -118.571 -83.1578 PRESSAVG: 1300600 -6.25304 -66.9146 13.1452 -66.9146 -19.7187 -22.5228 13.1452 -22.5229 34.0538 GPRESSAVG: 1300600 -7.03002 -67.0965 13.0776 -67.0524 -20.0383 -21.5669 14.7681 -22.3879 34.8073 TIMING: 1300600 CPU: 3770.25, 0.00291439/step Wall: 3770.25, 0.0029144/step, 2.99486 hours remaining, 208.699219 MB of memory in use. ENERGY: 1300600 778.2568 2122.9970 1966.5499 112.9037 -205752.7380 17552.2469 0.0000 0.0000 34300.8764 -148918.9074 299.5581 -183219.7839 -148821.5244 300.3274 -100.4136 -69.7326 558146.3070 2.6940 2.5797 PRESSURE: 1300800 -279.254 33.8646 -149.759 33.8636 -320.031 -5.72898 -149.757 -5.72786 128.861 GPRESSURE: 1300800 -279.263 4.80778 -131.882 7.79857 -260.448 -65.0867 -159.28 49.3266 160.715 PRESSAVG: 1300800 -35.601 -61.1361 15.7764 -61.136 -58.6146 3.45633 15.7764 3.45645 42.6552 GPRESSAVG: 1300800 -33.828 -62.4422 15.5803 -59.9791 -58.5332 1.54738 13.5229 4.83541 41.0321 TIMING: 1300800 CPU: 3770.83, 0.00291742/step Wall: 3770.83, 0.00291741/step, 2.99781 hours remaining, 208.699219 MB of memory in use. ENERGY: 1300800 735.3937 2101.2183 1958.8463 119.2551 -205479.2540 17409.4076 0.0000 0.0000 34185.4845 -148969.6487 298.5503 -183155.1331 -148868.4185 300.2259 -156.8078 -126.3318 557732.6653 -17.1868 -17.1097 PRESSURE: 1301000 -31.6971 71.4508 234.491 71.452 77.3482 -31.6655 234.49 -31.6665 -115.927 GPRESSURE: 1301000 3.02649 40.4401 224.656 76.6906 144.753 -81.4231 213.892 44.6509 -108.916 PRESSAVG: 1301000 -10.2116 6.89891 -9.05624 6.89884 -57.6098 23.8883 -9.0562 23.8883 82.2698 GPRESSAVG: 1301000 -10.8261 7.73783 -11.1365 6.43872 -56.7567 27.0639 -9.13633 20.8511 82.3408 TIMING: 1301000 CPU: 3771.41, 0.00289874/step Wall: 3771.41, 0.00289874/step, 2.97846 hours remaining, 208.699219 MB of memory in use. ENERGY: 1301000 770.6912 2122.5559 1957.2979 121.0568 -206184.4388 17859.6905 0.0000 0.0000 34292.3809 -149060.7657 299.4839 -183353.1466 -148967.2042 299.4422 -23.4251 12.9546 558801.7895 4.8161 4.9194 PRESSURE: 1301200 -47.0135 -156.416 124.833 -156.417 -192.873 140.972 124.833 140.974 -334.652 GPRESSURE: 1301200 -38.753 -240.989 149.133 -148.37 -161.681 150.824 145.25 185.187 -269.072 PRESSAVG: 1301200 1.02043 -17.0148 1.2208 -17.0148 -12.6856 -28.8795 1.22081 -28.8796 26.1891 GPRESSAVG: 1301200 0.997196 -19.4703 2.14092 -18.0058 -13.6445 -30.6606 0.931528 -27.0354 26.854 TIMING: 1301200 CPU: 3771.99, 0.00291132/step Wall: 3771.99, 0.00291132/step, 2.99122 hours remaining, 208.699219 MB of memory in use. ENERGY: 1301200 763.5240 2126.6726 1956.0379 101.7302 -205683.3358 17475.3871 0.0000 0.0000 34254.2619 -149005.7222 299.1510 -183259.9841 -148902.2094 300.0156 -191.5129 -156.5020 557665.7048 4.8413 4.7356 PRESSURE: 1301400 -184.721 52.7701 139.133 52.7698 -180.905 -55.9688 139.132 -55.9667 -45.6591 GPRESSURE: 1301400 -169.024 30.1061 99.2265 9.06765 -137.726 -74.7083 152.166 19.82 -16.2065 PRESSAVG: 1301400 -0.537472 27.8056 38.7767 27.8058 21.0401 -78.9166 38.7766 -78.9167 -24.885 GPRESSAVG: 1301400 -1.26332 30.1163 40.9699 27.8274 21.3936 -80.0057 38.1033 -78.6265 -24.7877 TIMING: 1301400 CPU: 3772.57, 0.00289523/step Wall: 3772.57, 0.00289523/step, 2.97453 hours remaining, 208.699219 MB of memory in use. ENERGY: 1301400 760.8812 2097.2313 1941.5878 102.3354 -205700.3368 17492.8808 0.0000 0.0000 34328.9075 -148976.5128 299.8029 -183305.4203 -148881.1288 299.9851 -137.0952 -107.6522 558873.4504 -1.4608 -1.5525 PRESSURE: 1301600 239.675 -221.275 -25.9831 -221.275 -122.665 -28.7724 -25.984 -28.7733 70.6752 GPRESSURE: 1301600 243.696 -246.052 53.9196 -153.848 -77.4366 -25.7389 -16.9437 -2.97022 115.097 PRESSAVG: 1301600 -53.2591 -16.3444 -10.4426 -16.3445 -2.0309 -31.2113 -10.4426 -31.2113 17.9632 GPRESSAVG: 1301600 -52.8054 -15.7791 -11.8054 -18.532 -2.66089 -29.4949 -8.55054 -31.7869 18.3676 TIMING: 1301600 CPU: 3773.15, 0.00289994/step Wall: 3773.15, 0.00289994/step, 2.97921 hours remaining, 208.699219 MB of memory in use. ENERGY: 1301600 754.7055 2137.8258 1950.3401 113.7463 -206267.7116 17914.3543 0.0000 0.0000 34478.9312 -148917.8084 301.1131 -183396.7396 -148819.8850 299.8177 62.5616 93.7856 558833.1221 -12.4423 -12.3662 PRESSURE: 1301800 264.666 -81.3065 161.121 -81.3045 -70.8403 -61.9961 161.122 -61.9936 -260.338 GPRESSURE: 1301800 319.637 -90.275 52.7566 -151.103 -97.6311 -115.217 225.447 -62.0947 -189.514 PRESSAVG: 1301800 112.639 -40.6068 18.1344 -40.6069 -120.096 -65.2643 18.1344 -65.2644 -18.9 GPRESSAVG: 1301800 111.948 -41.8989 18.6312 -39.4638 -119.092 -64.5353 17.1597 -65.4777 -19.2551 TIMING: 1301800 CPU: 3773.73, 0.00289339/step Wall: 3773.73, 0.00289339/step, 2.97232 hours remaining, 208.699219 MB of memory in use. ENERGY: 1301800 717.3596 2167.5618 1955.2506 112.1695 -205729.6965 17594.2847 0.0000 0.0000 34374.4768 -148808.5936 300.2009 -183183.0704 -148716.1969 300.3607 -22.1708 10.8305 558924.3122 -8.7858 -8.7995 PRESSURE: 1302000 -82.9296 -114.07 -219.584 -114.069 185.674 175.863 -219.584 175.863 -0.762464 GPRESSURE: 1302000 -23.8569 -79.8357 -342.076 -166.337 161.017 206.213 -164.419 99.0871 53.2075 PRESSAVG: 1302000 69.0102 -88.6759 -7.63173 -88.6759 -67.4197 -21.5267 -7.63171 -21.5267 -28.199 GPRESSAVG: 1302000 70.4566 -86.7071 -6.78586 -88.4223 -69.6848 -22.7759 -9.54519 -20.4367 -27.3282 TIMING: 1302000 CPU: 3774.31, 0.00289631/step Wall: 3774.31, 0.00289631/step, 2.97515 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1302000 751.0751 2136.6418 1968.1879 112.4627 -206125.1108 17860.8549 0.0000 0.0000 34385.9935 -148909.8948 300.3014 -183295.8883 -148813.7303 300.3853 33.9941 63.4558 558016.0486 -8.8695 -8.8521 PRESSURE: 1302200 -120.86 -138.701 -138.774 -138.702 -108.338 -6.75796 -138.774 -6.75873 232.694 GPRESSURE: 1302200 -14.2061 -171.876 -202.772 -89.5018 -97.0136 -32.9798 -109.785 38.7418 218.015 PRESSAVG: 1302200 11.4052 -36.2434 6.08913 -36.2434 -6.05071 -50.2847 6.08911 -50.2847 22.8811 GPRESSAVG: 1302200 10.1819 -38.7714 6.00053 -35.9868 -4.97291 -51.8575 7.04427 -51.811 23.0737 TIMING: 1302200 CPU: 3774.89, 0.00290768/step Wall: 3774.89, 0.00290768/step, 2.98667 hours remaining, 208.699219 MB of memory in use. ENERGY: 1302200 772.0300 2109.3751 1920.4243 108.2004 -206097.1173 17792.1235 0.0000 0.0000 34417.4440 -148977.5199 300.5761 -183394.9639 -148874.5500 300.6273 1.1653 35.5985 557197.6175 9.4118 9.4276 PRESSURE: 1302400 -59.6145 39.9278 29.8871 39.9283 -551.212 -66.335 29.886 -66.3367 -328.623 GPRESSURE: 1302400 -76.9644 78.6182 104.842 27.6886 -464.879 -110.615 -12.5164 -46.0717 -306.586 PRESSAVG: 1302400 -0.457071 -29.9757 -40.3704 -29.9757 -31.0106 -40.4975 -40.3703 -40.4975 10.387 GPRESSAVG: 1302400 -0.288787 -30.1305 -40.5637 -28.21 -30.668 -38.7246 -38.5228 -40.7873 10.2368 TIMING: 1302400 CPU: 3775.48, 0.00291888/step Wall: 3775.48, 0.00291888/step, 2.99801 hours remaining, 208.699219 MB of memory in use. ENERGY: 1302400 788.5676 2060.6382 1926.5764 111.8983 -205302.0875 17248.1564 0.0000 0.0000 34411.1022 -148755.1485 300.5207 -183166.2507 -148661.7374 300.5605 -313.1499 -282.8097 557934.7474 -7.0269 -6.9067 PRESSURE: 1302600 -75.721 -93.8327 -10.2074 -93.8324 53.7651 124.679 -10.2088 124.68 -230.604 GPRESSURE: 1302600 -46.9542 -194.001 -61.5829 -89.203 122.913 102.773 -59.4144 133.603 -226.415 PRESSAVG: 1302600 43.1268 -41.5606 -4.3118 -41.5607 -8.9112 -16.4155 -4.31178 -16.4154 -13.7481 GPRESSAVG: 1302600 43.7972 -40.1587 -3.37745 -42.3807 -9.1448 -15.6475 -5.86678 -14.8639 -14.3455 TIMING: 1302600 CPU: 3776.06, 0.00291879/step Wall: 3776.06, 0.00291879/step, 2.99776 hours remaining, 208.992188 MB of memory in use. ENERGY: 1302600 765.6674 2136.5057 1947.5127 115.3072 -205949.1967 17756.4764 0.0000 0.0000 34290.3724 -148937.3548 299.4664 -183227.7273 -148844.6745 300.1427 -84.1868 -50.1521 556362.2761 6.8225 6.7689 PRESSURE: 1302800 -47.7293 -140.283 -32.9751 -140.284 -43.0769 143.411 -32.9752 143.412 -97.2929 GPRESSURE: 1302800 -58.9238 -90.4835 -60.5521 -109.789 35.5453 146.838 3.35429 146.184 -58.7348 PRESSAVG: 1302800 -9.72053 3.4424 -12.0787 3.44238 7.61936 56.1181 -12.0788 56.118 -18.4727 GPRESSAVG: 1302800 -10.0675 2.32225 -15.1978 3.18625 9.49901 55.9432 -10.8416 57.0612 -19.4949 TIMING: 1302800 CPU: 3776.64, 0.00292595/step Wall: 3776.64, 0.00292595/step, 3.00495 hours remaining, 208.992188 MB of memory in use. ENERGY: 1302800 749.3604 2069.4648 1934.4058 112.6963 -205598.7452 17522.1738 0.0000 0.0000 34364.0377 -148846.6064 300.1097 -183210.6441 -148751.2466 300.3273 -62.6997 -27.3711 555999.2877 -6.8579 -6.6878 PRESSURE: 1303000 39.1165 -188.628 -130.349 -188.627 75.7216 -47.6953 -130.35 -47.6945 -79.9005 GPRESSURE: 1303000 77.3137 -143.174 -119.153 -214.066 104.55 31.3633 -81.8214 -70.7574 -63.2682 PRESSAVG: 1303000 -5.10772 -60.3317 -8.09051 -60.3317 -6.51286 -82.5744 -8.09055 -82.5744 -6.45112 GPRESSAVG: 1303000 -5.14253 -59.5156 -8.01241 -59.5601 -8.48701 -82.038 -8.47353 -83.8599 -4.741 TIMING: 1303000 CPU: 3777.22, 0.00288723/step Wall: 3777.22, 0.00288723/step, 2.96502 hours remaining, 208.992188 MB of memory in use. ENERGY: 1303000 762.7048 2131.5895 1958.0312 132.2451 -205861.9762 17701.2157 0.0000 0.0000 34253.0545 -148923.1353 299.1404 -183176.1899 -148824.3750 301.0669 11.6459 39.5319 556613.0411 -6.0239 -6.1235 PRESSURE: 1303200 -191.341 71.8106 -48.1305 71.8112 88.8718 -71.4532 -48.1301 -71.4523 49.7214 GPRESSURE: 1303200 -117.717 -11.5902 -33.2466 166.551 83.9876 -102.071 -42.9034 -74.0721 67.2088 PRESSAVG: 1303200 12.202 -14.9305 -42.2912 -14.9305 0.450549 -32.3722 -42.2912 -32.3723 -28.4036 GPRESSAVG: 1303200 11.6465 -14.1651 -40.7914 -16.6917 0.737402 -35.0193 -43.7919 -31.9568 -28.1794 TIMING: 1303200 CPU: 3777.8, 0.00288656/step Wall: 3777.8, 0.00288656/step, 2.96417 hours remaining, 208.992188 MB of memory in use. ENERGY: 1303200 788.8951 2072.1496 1922.6106 104.9219 -205861.7325 17893.6494 0.0000 0.0000 34253.8436 -148825.6623 299.1473 -183079.5058 -148729.5774 300.3014 -17.5824 11.1597 558724.4712 -5.2504 -5.2652 PRESSURE: 1303400 57.1213 -32.0534 28.9234 -32.0544 -104.336 -100.551 28.9236 -100.553 -151.493 GPRESSURE: 1303400 87.6369 -39.7883 24.6771 -67.4466 -55.6873 -89.2167 126.398 -74.1972 -128.974 PRESSAVG: 1303400 -23.5618 -39.8783 -4.17462 -39.8783 3.00662 -36.962 -4.17464 -36.962 16.8107 GPRESSAVG: 1303400 -24.2643 -41.721 -4.18208 -38.6699 3.98223 -35.0038 -3.20884 -37.3433 16.8324 TIMING: 1303400 CPU: 3778.38, 0.00288512/step Wall: 3778.38, 0.00288512/step, 2.96254 hours remaining, 208.992188 MB of memory in use. ENERGY: 1303400 761.9882 2110.9573 1958.9348 113.0017 -205792.8711 17624.6289 0.0000 0.0000 34211.8949 -149011.4653 298.7810 -183223.3602 -148915.7369 299.3051 -66.2360 -32.3416 557175.9272 -1.2481 -1.1499 PRESSURE: 1303600 -182.029 -10.2555 -61.8544 -10.2549 209.41 -57.4347 -61.8525 -57.4361 138.497 GPRESSURE: 1303600 -149.631 -15.3787 -41.7236 -14.8335 183.645 -81.5066 50.6315 -72.0577 218.828 PRESSAVG: 1303600 43.4934 -62.773 6.703 -62.7731 -2.53745 -57.7732 6.70316 -57.7731 1.47393 GPRESSAVG: 1303600 43.4363 -60.868 6.05922 -62.3906 -2.53558 -58.7862 8.17129 -57.2668 1.55649 TIMING: 1303600 CPU: 3778.95, 0.00288118/step Wall: 3778.95, 0.00288118/step, 2.95833 hours remaining, 208.992188 MB of memory in use. ENERGY: 1303600 751.4671 2091.5920 1938.7426 120.0640 -205450.9003 17435.8459 0.0000 0.0000 34112.4030 -149000.7857 297.9121 -183113.1887 -148910.9511 298.9396 55.2927 84.2808 557064.3007 14.1433 14.1524 PRESSURE: 1303800 -105.525 -22.1108 17.0263 -22.1099 -84.3855 -147.597 17.0274 -147.598 -64.4618 GPRESSURE: 1303800 -82.2973 -66.7831 -73.8178 -60.045 -21.6334 -98.3994 36.3905 -156.435 -50.8172 PRESSAVG: 1303800 31.3118 -12.1891 7.97931 -12.1891 44.3496 -6.00272 7.97936 -6.0027 -10.7172 GPRESSAVG: 1303800 32.3126 -13.6324 8.88824 -12.7015 43.5755 -5.17802 4.37267 -6.20473 -10.9097 TIMING: 1303800 CPU: 3779.53, 0.00288871/step Wall: 3779.53, 0.00288871/step, 2.9659 hours remaining, 208.992188 MB of memory in use. ENERGY: 1303800 738.3417 2134.5205 1936.6367 120.6466 -205864.7245 17588.5545 0.0000 0.0000 34261.1075 -149084.9168 299.2108 -183346.0244 -148987.9428 299.5519 -84.7909 -51.5826 557793.5011 21.6481 21.6595 PRESSURE: 1304000 -30.7289 87.6917 -89.5852 87.6921 -109.147 -114.433 -89.5851 -114.433 207.477 GPRESSURE: 1304000 27.4572 181.246 -37.2702 45.8032 -95.3529 -130.252 1.153 -8.35736 236.435 PRESSAVG: 1304000 55.4693 -27.9119 -28.5586 -27.9118 4.16098 -9.9361 -28.5586 -9.9362 -24.9712 GPRESSAVG: 1304000 54.9309 -27.9203 -28.5601 -28.5442 5.03149 -10.7392 -27.1161 -9.59642 -25.2916 TIMING: 1304000 CPU: 3780.1, 0.00286848/step Wall: 3780.1, 0.00286848/step, 2.94497 hours remaining, 208.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1304000 778.3205 2092.5522 1968.3609 114.9418 -206060.1342 17863.8533 0.0000 0.0000 34381.5890 -148860.5165 300.2630 -183242.1055 -148766.6262 299.9960 22.5336 56.1798 556898.1578 11.5530 11.5569 PRESSURE: 1304200 10.2707 2.38982 5.64597 2.38901 158.945 -16.634 5.64603 -16.6337 -111.142 GPRESSURE: 1304200 42.7506 16.0036 25.3192 -74.9724 136.096 -22.108 20.6928 37.8665 -10.6938 PRESSAVG: 1304200 9.08468 -63.116 -16.0694 -63.116 2.90282 -37.7137 -16.0694 -37.7137 -38.0639 GPRESSAVG: 1304200 9.46499 -63.6752 -17.4039 -60.9221 0.806114 -35.8836 -15.3838 -39.2021 -36.1782 TIMING: 1304200 CPU: 3780.68, 0.00287571/step Wall: 3780.68, 0.00287571/step, 2.95223 hours remaining, 208.992188 MB of memory in use. ENERGY: 1304200 740.9217 2122.8268 1941.6928 130.4490 -205548.1366 17608.6517 0.0000 0.0000 34252.4045 -148751.1901 299.1348 -183003.5946 -148649.4618 300.8798 19.3577 56.0508 557675.8727 -8.6921 -8.6357 LDB: ============= START OF LOAD BALANCING ============== 3784.06 LDB: ============== END OF LOAD BALANCING =============== 3784.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3784.06 LDB: ============= START OF LOAD BALANCING ============== 3784.35 LDB: Largest compute 4820 load 0.024716 is 21.0% of average load 0.117960 LDB: Average compute 0.001711 is 1.5% of average load 0.117960 LDB: TIME 3784.36 LOAD: AVG 0.11796 MAX 0.186289 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.008 MB LDB: TIME 3784.36 LOAD: AVG 0.11796 MAX 0.186289 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.008 MB LDB: TIME 3784.36 LOAD: AVG 0.11796 MAX 0.186289 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.008 MB LDB: ============== END OF LOAD BALANCING =============== 3784.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3784.36 PRESSURE: 1304400 186.734 -38.5681 105.669 -38.5693 63.6644 -122.878 105.669 -122.877 71.8514 GPRESSURE: 1304400 294.852 -99.3399 112.439 56.8407 86.1732 -126.794 114.973 -133.975 54.73 PRESSAVG: 1304400 79.0346 18.8868 -42.2262 18.8868 -19.7058 20.1326 -42.2262 20.1326 -32.0218 GPRESSAVG: 1304400 80.7672 18.8567 -41.9478 19.5018 -19.9594 19.4579 -42.5872 20.6991 -33.2154 TIMING: 1304400 CPU: 3781.27, 0.00293527/step Wall: 3781.27, 0.00293527/step, 3.01322 hours remaining, 210.882812 MB of memory in use. ENERGY: 1304400 743.4285 2117.8492 1931.4574 112.4322 -206254.8416 17941.7465 0.0000 0.0000 34561.3440 -148846.5839 301.8328 -183407.9279 -148750.5404 300.4718 107.4167 145.2517 556769.0326 9.1024 9.1975 PRESSURE: 1304600 -40.9986 -31.5296 -26.6832 -31.5309 206.665 -77.563 -26.6827 -77.5624 109.432 GPRESSURE: 1304600 1.61559 -61.4891 -46.7277 -2.35355 218.097 -92.2418 -94.2887 -31.391 143.399 PRESSAVG: 1304600 51.5149 14.4761 -6.23645 14.4761 -41.2101 34.3709 -6.23627 34.3708 10.197 GPRESSAVG: 1304600 51.7116 13.6383 -6.00684 12.925 -40.8805 34.6498 -8.0296 34.2478 9.31158 TIMING: 1304600 CPU: 3781.84, 0.0028699/step Wall: 3781.84, 0.0028699/step, 2.94596 hours remaining, 211.125000 MB of memory in use. ENERGY: 1304600 752.3100 2136.8435 1951.8486 111.1451 -206155.1219 17895.2520 0.0000 0.0000 34458.2137 -148849.5090 300.9322 -183307.7227 -148751.0129 300.7086 91.6996 121.0371 556185.7124 6.8339 6.7142 PRESSURE: 1304800 165.724 -85.0598 128.884 -85.0614 -173.589 18.8014 128.885 18.8014 9.69928 GPRESSURE: 1304800 154.254 19.6339 58.2272 -154.735 -114.403 -2.80031 127.24 32.2879 61.5004 PRESSAVG: 1304800 24.8565 15.041 -54.0433 15.041 0.329437 -77.7467 -54.0433 -77.7467 -2.85093 GPRESSAVG: 1304800 23.2082 17.1078 -51.8145 14.0666 0.620448 -78.5263 -55.0049 -77.6129 -1.62276 TIMING: 1304800 CPU: 3782.42, 0.00288729/step Wall: 3782.42, 0.00288729/step, 2.96365 hours remaining, 211.125000 MB of memory in use. ENERGY: 1304800 783.5722 2100.2424 1971.9980 117.8635 -205845.4957 17766.3958 0.0000 0.0000 34301.8904 -148803.5335 299.5669 -183105.4239 -148699.3735 300.5967 0.6115 33.7839 557569.5207 7.4450 7.4020 PRESSURE: 1305000 52.0092 110.027 -147.015 110.028 34.382 55.0963 -147.016 55.0959 -10.809 GPRESSURE: 1305000 15.2145 73.5525 -229.207 116.339 119.026 -36.1805 -165.894 118.425 34.9168 PRESSAVG: 1305000 52.3895 -29.5886 14.0507 -29.5886 21.9203 -45.1067 14.0506 -45.1065 -52.3523 GPRESSAVG: 1305000 51.1924 -30.7664 12.4176 -27.6499 23.2526 -45.4847 14.7969 -43.7517 -52.5023 TIMING: 1305000 CPU: 3783, 0.00288803/step Wall: 3783, 0.00288803/step, 2.96424 hours remaining, 211.125000 MB of memory in use. ENERGY: 1305000 759.4817 2124.6430 1947.3111 130.6199 -206208.6860 17808.8036 0.0000 0.0000 34543.6990 -148894.1279 301.6787 -183437.8268 -148799.7042 300.4280 25.1941 56.3858 556212.9916 7.3192 7.3142 PRESSURE: 1305200 137.405 -48.4147 -1.52694 -48.415 311.557 -10.0487 -1.52741 -10.0476 86.0556 GPRESSURE: 1305200 196.395 22.8992 30.4376 -83.9913 299.065 -21.3571 -34.5102 8.44561 132.236 PRESSAVG: 1305200 -22.0082 39.8342 -54.8182 39.8342 46.9116 33.5026 -54.8182 33.5025 33.971 GPRESSAVG: 1305200 -20.9985 40.9692 -55.8087 38.628 46.5708 34.7111 -51.1148 32.2403 33.37 TIMING: 1305200 CPU: 3783.57, 0.00289473/step Wall: 3783.57, 0.00289473/step, 2.97096 hours remaining, 211.125000 MB of memory in use. ENERGY: 1305200 758.6017 2142.6756 1964.0989 108.1831 -206452.0113 18116.5646 0.0000 0.0000 34382.8448 -148979.0424 300.2739 -183361.8873 -148886.4845 299.9731 178.3393 209.2321 556714.9101 19.6248 19.6475 PRESSURE: 1305400 -51.145 -70.968 -69.9518 -70.9675 56.0895 74.0395 -69.9503 74.0388 90.1612 GPRESSURE: 1305400 -29.9224 -18.7479 -41.71 -63.915 87.1185 231.35 -106.984 17.1025 129.935 PRESSAVG: 1305400 -64.4642 34.4004 -31.9175 34.4005 68.4251 7.69524 -31.9174 7.69516 -7.91932 GPRESSAVG: 1305400 -63.8041 33.6844 -30.8644 33.9014 67.2826 8.07201 -34.5613 8.37902 -7.98706 TIMING: 1305400 CPU: 3784.15, 0.00288608/step Wall: 3784.15, 0.00288608/step, 2.96192 hours remaining, 211.125000 MB of memory in use. ENERGY: 1305400 720.7746 2148.6851 1949.4039 121.0754 -206007.1653 17744.4566 0.0000 0.0000 34164.9643 -149157.8053 298.3711 -183322.7696 -149063.2057 300.1911 31.7019 62.3769 556140.6179 -1.3194 -1.5029 PRESSURE: 1305600 264.81 73.6085 -66.5758 73.6089 -40.1157 -105.282 -66.5754 -105.281 108.043 GPRESSURE: 1305600 272.453 113.604 -85.7069 56.0681 -4.44939 -91.8849 -63.2396 -113.448 156.258 PRESSAVG: 1305600 -22.3021 -2.35957 -40.8897 -2.35954 60.5348 -24.9453 -40.8897 -24.9453 -26.3 GPRESSAVG: 1305600 -23.437 -3.84277 -40.0003 -2.8022 60.7996 -26.3794 -42.9418 -25.773 -25.6588 TIMING: 1305600 CPU: 3784.73, 0.00288007/step Wall: 3784.73, 0.00288007/step, 2.95559 hours remaining, 211.179688 MB of memory in use. ENERGY: 1305600 759.5098 2131.9320 1950.6480 104.5872 -206359.5413 18045.1373 0.0000 0.0000 34229.1677 -149138.5593 298.9318 -183367.7270 -149033.3238 299.4786 110.9124 141.4206 556706.9149 3.9776 3.9013 PRESSURE: 1305800 -117.168 24.8076 -81.6706 24.8063 29.0155 -57.5438 -81.6705 -57.545 -9.55318 GPRESSURE: 1305800 -172.151 133.595 -78.7896 -98.9992 102.681 -104.122 -89.152 -81.8047 85.7464 PRESSAVG: 1305800 -88.693 20.4513 -10.5719 20.4513 50.4334 -86.4058 -10.5719 -86.4057 -11.7147 GPRESSAVG: 1305800 -89.4217 21.419 -10.3829 20.0902 50.627 -85.8658 -9.65545 -87.3835 -11.1938 TIMING: 1305800 CPU: 3785.3, 0.00288067/step Wall: 3785.3, 0.00288067/step, 2.95605 hours remaining, 211.179688 MB of memory in use. ENERGY: 1305800 760.9066 2098.8924 1928.7233 104.2230 -206170.7506 17854.5206 0.0000 0.0000 34299.2853 -149124.1994 299.5442 -183423.4847 -149017.1684 299.5175 -32.5686 5.4256 557199.3729 -16.6581 -16.6628 PRESSURE: 1306000 -193.028 69.4702 3.54924 69.471 48.8207 -95.6468 3.5499 -95.6462 90.9777 GPRESSURE: 1306000 -158.858 115.638 -38.6654 23.543 81.2014 -64.9664 -6.48445 -113.835 126.628 PRESSAVG: 1306000 -71.6374 -30.2729 -37.3146 -30.2729 3.40032 -39.6936 -37.3146 -39.6937 62.4388 GPRESSAVG: 1306000 -71.9359 -29.8165 -38.8173 -30.4114 3.99224 -40.5486 -36.8226 -36.6613 62.4462 TIMING: 1306000 CPU: 3785.88, 0.00287951/step Wall: 3785.88, 0.00287951/step, 2.9547 hours remaining, 211.179688 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: 1306000 771.7964 2153.2910 1925.8864 106.1938 -206199.9153 17880.5485 0.0000 0.0000 34376.0846 -148986.1145 300.2149 -183362.1991 -148884.2523 299.7009 -17.7432 16.3238 558012.0831 -1.9328 -1.8325 PRESSURE: 1306200 -91.2867 -78.1885 71.0942 -78.1883 -34.9035 -75.3535 71.0951 -75.3536 -146.653 GPRESSURE: 1306200 -104.52 -103.95 12.3434 13.9022 27.878 -54.4682 124.714 -45.9022 -86.7497 PRESSAVG: 1306200 -47.6456 -15.0347 7.8829 -15.0347 13.5087 10.067 7.88287 10.067 28.0142 GPRESSAVG: 1306200 -45.8859 -15.3267 9.26313 -15.1071 12.4547 10.5233 7.48237 9.39198 27.1517 TIMING: 1306200 CPU: 3786.46, 0.00289492/step Wall: 3786.46, 0.00289492/step, 2.97035 hours remaining, 211.179688 MB of memory in use. ENERGY: 1306200 776.3538 2092.9978 1943.1381 108.5123 -205899.4676 17701.2652 0.0000 0.0000 34264.7053 -149012.4951 299.2422 -183277.2004 -148913.0930 299.7404 -90.9477 -54.4640 557851.5014 -2.0409 -2.0932 PRESSURE: 1306400 -79.3049 2.14766 73.8149 2.14827 -14.2242 -66.8175 73.8136 -66.8182 -129.577 GPRESSURE: 1306400 -97.0113 30.4497 17.5415 53.3217 42.2547 -94.3861 11.6018 -69.8672 -71.726 PRESSAVG: 1306400 -49.6949 22.2415 -10.5709 22.2415 49.1458 -42.0957 -10.5708 -42.0958 -16.5341 GPRESSAVG: 1306400 -49.2665 21.8601 -11.0124 23.0607 49.9115 -41.9278 -11.0359 -42.5916 -17.2834 TIMING: 1306400 CPU: 3787.04, 0.00291698/step Wall: 3787.04, 0.00291698/step, 2.99282 hours remaining, 211.179688 MB of memory in use. ENERGY: 1306400 739.7877 2073.8731 1949.8580 115.2395 -205965.6886 17709.5012 0.0000 0.0000 34176.5462 -149200.8829 298.4723 -183377.4291 -149103.5941 299.4333 -74.3686 -42.1609 557680.7163 -5.6944 -5.5461 PRESSURE: 1306600 -84.9296 -57.852 -59.9396 -57.8504 84.5861 122.242 -59.9399 122.242 155.113 GPRESSURE: 1306600 -76.6601 -10.7719 -62.0127 -97.7502 115.283 117.068 43.452 79.8468 206.688 PRESSAVG: 1306600 -32.3272 -7.47379 8.53665 -7.47378 -6.02647 28.8024 8.5366 28.8023 26.8546 GPRESSAVG: 1306600 -33.8726 -6.93551 6.78562 -7.13097 -5.76876 28.8516 11.2894 29.5426 27.5323 TIMING: 1306600 CPU: 3787.62, 0.00289775/step Wall: 3787.62, 0.00289775/step, 2.97293 hours remaining, 211.179688 MB of memory in use. ENERGY: 1306600 768.0173 2040.6135 1928.2097 110.2227 -205801.4861 17755.1377 0.0000 0.0000 34102.5272 -149096.7580 297.8259 -183199.2852 -149003.4305 298.4493 51.5899 81.7705 557362.2871 -3.8330 -4.0364 PRESSURE: 1306800 -209.332 -2.07829 -68.4802 -2.07673 -138.253 124.818 -68.4785 124.818 189.722 GPRESSURE: 1306800 -137.26 -26.5356 -84.7065 20.0398 -112.405 225.756 -52.3777 91.8432 195.926 PRESSAVG: 1306800 27.343 9.53013 28.88 9.5301 -84.8185 8.78445 28.8801 8.78441 44.2916 GPRESSAVG: 1306800 28.2272 9.0322 29.6632 7.45361 -85.3476 8.22666 26.9037 9.39635 45.0851 TIMING: 1306800 CPU: 3788.2, 0.00291101/step Wall: 3788.2, 0.00291101/step, 2.98637 hours remaining, 211.179688 MB of memory in use. ENERGY: 1306800 703.9838 2046.5412 1931.5489 110.9211 -206060.8886 17722.7316 0.0000 0.0000 34433.3135 -149111.8486 300.7147 -183545.1621 -149023.4989 299.3175 -52.6212 -17.9129 557339.1441 -4.3946 -4.0118 PRESSURE: 1307000 -0.964228 -87.2802 -68.465 -87.2808 -363.573 22.58 -68.4668 22.5813 -133.239 GPRESSURE: 1307000 -7.69812 3.67315 -135.226 -117.409 -314.394 50.8402 -78.867 -8.95554 -92.1529 PRESSAVG: 1307000 54.649 -52.7476 28.0147 -52.7477 -18.2468 -7.9669 28.0146 -7.96681 -41.595 GPRESSAVG: 1307000 53.9369 -52.4681 27.6736 -53.1265 -16.8568 -8.19812 29.3442 -8.05227 -41.947 TIMING: 1307000 CPU: 3788.79, 0.00292424/step Wall: 3788.79, 0.00292424/step, 2.99978 hours remaining, 211.179688 MB of memory in use. ENERGY: 1307000 785.6663 2052.3298 1932.4902 116.6321 -205747.5635 17514.3473 0.0000 0.0000 34247.2180 -149098.8798 299.0895 -183346.0978 -149008.4210 299.2370 -165.9251 -138.0818 557655.7616 -1.7309 -1.6223 PRESSURE: 1307200 -33.881 -197.296 -196.772 -197.296 34.051 44.54 -196.772 44.5421 205.81 GPRESSURE: 1307200 -25.086 -190.816 -233.051 -163.524 103.829 -31.2835 -95.2098 15.3344 215.708 PRESSAVG: 1307200 8.32349 -56.9207 45.0083 -56.9208 -15.8199 -54.6133 45.0083 -54.6133 -41.3134 GPRESSAVG: 1307200 8.74155 -56.6601 44.2628 -58.4844 -15.5057 -52.9731 47.4767 -55.4499 -41.7718 TIMING: 1307200 CPU: 3789.37, 0.00289497/step Wall: 3789.37, 0.00289497/step, 2.96959 hours remaining, 211.179688 MB of memory in use. ENERGY: 1307200 695.7566 2095.5526 1938.6857 117.9277 -206229.5936 17829.2805 0.0000 0.0000 34350.3965 -149201.9940 299.9906 -183552.3904 -149114.2196 299.5666 68.6599 98.1502 558005.3982 -16.2699 -16.1787 PRESSURE: 1307400 122.773 11.8589 52.2136 11.8583 151.835 103.139 52.2128 103.138 54.8558 GPRESSURE: 1307400 152.745 -33.1473 44.2424 30.5728 210.641 23.6657 86.3855 131.471 58.7654 PRESSAVG: 1307400 1.70761 -17.4937 16.4601 -17.4937 -42.8747 76.3378 16.46 76.3378 69.3557 GPRESSAVG: 1307400 2.11533 -18.1465 17.0765 -15.5467 -43.5798 73.8142 12.8415 78.0033 69.5501 TIMING: 1307400 CPU: 3789.95, 0.00289996/step Wall: 3789.95, 0.00289996/step, 2.97456 hours remaining, 211.179688 MB of memory in use. ENERGY: 1307400 734.7378 2090.5682 1925.2002 123.7111 -206037.1372 17857.4640 0.0000 0.0000 34174.3853 -149131.0707 298.4534 -183305.4560 -149037.5444 298.9010 109.8211 140.7171 557482.5729 9.3962 9.3618 PRESSURE: 1307600 10.0907 -76.1308 66.411 -76.1308 44.5109 84.6119 66.4106 84.6139 82.8854 GPRESSURE: 1307600 32.7653 -86.5695 125.564 -80.3132 49.1158 99.0789 23.7085 62.7271 141.061 PRESSAVG: 1307600 44.0966 8.67339 31.4696 8.67334 29.9017 7.71576 31.4695 7.71587 -58.7039 GPRESSAVG: 1307600 43.5475 8.74744 31.1988 9.03546 29.964 11.2992 32.548 3.62809 -58.7993 TIMING: 1307600 CPU: 3790.52, 0.0028773/step Wall: 3790.52, 0.0028773/step, 2.95115 hours remaining, 211.179688 MB of memory in use. ENERGY: 1307600 744.2526 2075.5685 1937.6142 109.5317 -206173.2894 17736.8767 0.0000 0.0000 34221.8372 -149347.6084 298.8678 -183569.4456 -149251.8044 298.9682 45.8290 74.3141 557012.8893 5.0982 4.9041 PRESSURE: 1307800 -2.12898 119.572 -92.9736 119.572 -36.1516 -48.2942 -92.9723 -48.2926 18.58 GPRESSURE: 1307800 48.128 1.43628 -137.879 135.032 -7.45785 -23.2372 -110.491 -65.0242 43.0203 PRESSAVG: 1307800 21.3501 -8.14343 -11.5557 -8.14343 73.6298 3.37781 -11.5558 3.37777 -35.8951 GPRESSAVG: 1307800 21.3086 -6.7364 -11.523 -9.59408 72.8056 1.60463 -12.0337 4.98997 -34.9866 TIMING: 1307800 CPU: 3791.1, 0.00287501/step Wall: 3791.1, 0.00287501/step, 2.94864 hours remaining, 211.179688 MB of memory in use. ENERGY: 1307800 728.2322 2094.5272 1940.7100 107.0444 -206414.5724 17823.5496 0.0000 0.0000 34423.9207 -149296.5884 300.6327 -183720.5091 -149200.3235 298.7013 -6.5669 27.8968 557224.8700 19.6949 19.7092 PRESSURE: 1308000 -95.3216 -26.8951 104.239 -26.8954 136.245 22.3107 104.237 22.3099 -9.49231 GPRESSURE: 1308000 -33.4101 -106.642 45.3713 55.047 181.947 -29.6737 189.09 103.765 -23.5741 PRESSAVG: 1308000 8.91205 -8.49588 9.803 -8.49586 -11.5085 -26.7736 9.80302 -26.7736 -2.8306 GPRESSAVG: 1308000 8.6672 -9.71497 9.80003 -6.92729 -10.4875 -26.3275 9.48858 -24.8235 -3.54182 TIMING: 1308000 CPU: 3791.67, 0.00287186/step Wall: 3791.67, 0.00287186/step, 2.94525 hours remaining, 211.179688 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: 1308000 726.3552 2163.0265 1921.1395 105.0814 -206334.8270 17779.1153 0.0000 0.0000 34308.1656 -149331.9435 299.6217 -183640.1091 -149240.3129 298.7417 10.4769 41.6542 557837.8201 -1.8090 -1.7874 PRESSURE: 1308200 -98.8651 114.777 -44.8264 114.776 -14.4887 27.8231 -44.826 27.8238 -262.764 GPRESSURE: 1308200 -24.9365 44.745 -30.1696 46.1147 17.7697 14.5101 -43.1071 -17.6803 -263.637 PRESSAVG: 1308200 -47.055 -28.1212 -3.82766 -28.1212 134.454 -18.6157 -3.82765 -18.6158 -52.3671 GPRESSAVG: 1308200 -46.8978 -29.0273 -1.69927 -28.7453 134.794 -19.2368 -4.20368 -19.172 -52.6453 TIMING: 1308200 CPU: 3792.25, 0.00287279/step Wall: 3792.25, 0.00287279/step, 2.94605 hours remaining, 211.179688 MB of memory in use. ENERGY: 1308200 757.7470 2083.5289 1933.6463 115.6030 -206069.4936 17676.5040 0.0000 0.0000 34216.5703 -149285.8941 298.8218 -183502.4644 -149186.2634 299.1465 -125.3727 -90.2680 557867.3437 11.6774 11.7502 LDB: ============= START OF LOAD BALANCING ============== 3795.63 LDB: ============== END OF LOAD BALANCING =============== 3795.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3795.63 LDB: ============= START OF LOAD BALANCING ============== 3795.92 LDB: Largest compute 4820 load 0.025669 is 21.8% of average load 0.117961 LDB: Average compute 0.001709 is 1.4% of average load 0.117961 LDB: TIME 3795.92 LOAD: AVG 0.117961 MAX 0.182307 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.031 MB LDB: TIME 3795.92 LOAD: AVG 0.117961 MAX 0.182307 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.234 MB LDB: TIME 3795.92 LOAD: AVG 0.117961 MAX 0.182307 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.234 MB LDB: ============== END OF LOAD BALANCING =============== 3795.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3795.93 PRESSURE: 1308400 -8.98869 122.11 -24.457 122.11 -177.697 -93.1052 -24.4567 -93.1051 -168.688 GPRESSURE: 1308400 -54.0685 -3.69508 -35.9551 133.902 -127.389 9.40273 11.4118 -78.3497 -90.8077 PRESSAVG: 1308400 -31.667 20.9658 57.2774 20.9658 33.9302 16.293 57.2774 16.2928 26.1095 GPRESSAVG: 1308400 -31.4856 22.5188 56.5762 22.9858 33.5698 16.8409 57.3081 16.1458 25.7722 TIMING: 1308400 CPU: 3792.83, 0.00293744/step Wall: 3792.83, 0.00293744/step, 3.01218 hours remaining, 208.031250 MB of memory in use. ENERGY: 1308400 778.5096 2059.7851 1946.5479 111.9466 -206069.9058 17669.3276 0.0000 0.0000 34361.0374 -149142.7517 300.0835 -183503.7890 -149048.3429 299.3101 -118.4579 -90.7550 558347.9002 9.4576 9.2854 PRESSURE: 1308600 -81.9465 20.9142 56.2195 20.9149 -299.935 36.326 56.2189 36.3249 -24.3079 GPRESSURE: 1308600 -60.5917 35.9986 46.1047 39.522 -320.642 94.9179 68.4861 18.5538 66.3917 PRESSAVG: 1308600 40.7632 11.2371 54.2086 11.2371 -11.3241 3.52651 54.2087 3.52653 -25.8905 GPRESSAVG: 1308600 39.8961 11.8855 52.9367 8.83382 -12.0984 4.0001 54.1629 2.9052 -24.5112 TIMING: 1308600 CPU: 3793.41, 0.0028802/step Wall: 3793.41, 0.0028802/step, 2.95332 hours remaining, 208.234375 MB of memory in use. ENERGY: 1308600 759.2525 2064.7750 1961.7649 118.6117 -205690.0800 17523.7613 0.0000 0.0000 34095.3444 -149166.5702 297.7631 -183261.9145 -149067.4979 299.5778 -135.3963 -104.9473 557895.9293 1.1829 1.0955 PRESSURE: 1308800 -23.5825 -92.1591 130.301 -92.1591 193.369 -196.746 130.301 -196.748 -260.149 GPRESSURE: 1308800 56.5717 -99.3019 170.656 -117.12 206.1 -189.673 11.432 -233.443 -254.732 PRESSAVG: 1308800 30.7478 1.24756 62.3661 1.24768 18.5407 -59.7829 62.3662 -59.783 -47.579 GPRESSAVG: 1308800 32.4137 -0.116437 62.6498 2.28213 18.9512 -61.3502 63.493 -59.3235 -49.0945 TIMING: 1308800 CPU: 3793.99, 0.00288401/step Wall: 3793.99, 0.00288401/step, 2.95707 hours remaining, 208.234375 MB of memory in use. ENERGY: 1308800 749.3701 2070.4681 1967.6552 112.9692 -206044.5632 17707.5745 0.0000 0.0000 34265.6677 -149170.8585 299.2506 -183436.5262 -149080.3480 299.4269 -30.1210 2.6466 556080.6625 0.5699 0.7568 PRESSURE: 1309000 -156.088 57.5968 -40.0805 57.5987 -133.739 -64.3773 -40.0814 -64.3768 -110.244 GPRESSURE: 1309000 -95.4241 31.8241 -103.652 -11.281 -150.277 -100.383 -18.5386 -54.0705 -60.6307 PRESSAVG: 1309000 47.633 -44.0255 32.1395 -44.0255 3.74029 -29.7277 32.1395 -29.7277 -48.6602 GPRESSAVG: 1309000 46.2902 -43.7284 32.28 -45.2653 3.7646 -30.6313 32.5981 -28.4181 -47.1157 TIMING: 1309000 CPU: 3794.56, 0.00287902/step Wall: 3794.56, 0.00287902/step, 2.95179 hours remaining, 208.234375 MB of memory in use. ENERGY: 1309000 739.9988 2123.0236 1940.8146 117.8688 -205965.8184 17628.1087 0.0000 0.0000 34178.1901 -149237.8137 298.4866 -183416.0038 -149136.6265 299.5471 -133.3573 -102.1106 556944.8552 0.9044 0.9797 PRESSURE: 1309200 -117.175 32.4187 48.882 32.4169 -41.3264 -4.92118 48.8812 -4.91987 115.015 GPRESSURE: 1309200 -20.7685 -1.44978 130.993 31.2274 -77.4889 21.1651 -14.8405 -20.9541 163.846 PRESSAVG: 1309200 -53.3378 -6.04006 -7.33925 -6.0401 89.4588 2.78174 -7.33926 2.78169 -34.2015 GPRESSAVG: 1309200 -51.8864 -4.73048 -6.34165 -4.86345 89.808 3.03353 -8.92765 1.14727 -36.4077 TIMING: 1309200 CPU: 3795.14, 0.00288668/step Wall: 3795.14, 0.00288668/step, 2.95949 hours remaining, 208.234375 MB of memory in use. ENERGY: 1309200 748.1942 2084.0795 1937.1148 119.3106 -206116.0527 17767.1659 0.0000 0.0000 34254.7454 -149205.4422 299.1552 -183460.1876 -149108.9417 298.6894 -14.4954 21.8627 557721.0252 0.6398 0.5046 PRESSURE: 1309400 -136.265 -81.0389 -1.62206 -81.0402 -105.651 9.32747 -1.62213 9.32742 150.923 GPRESSURE: 1309400 -78.266 -184.621 42.8593 -73.2221 -86.4934 58.8375 -29.1753 -135.944 182.223 PRESSAVG: 1309400 -17.7746 -9.1946 24.9722 -9.19462 -17.2395 -57.8373 24.9722 -57.8374 15.2617 GPRESSAVG: 1309400 -19.585 -9.99872 25.874 -9.59667 -15.8159 -56.4122 24.5148 -58.6747 15.7 TIMING: 1309400 CPU: 3795.72, 0.00288868/step Wall: 3795.72, 0.00288868/step, 2.96138 hours remaining, 208.234375 MB of memory in use. ENERGY: 1309400 749.1910 2107.0040 1927.1339 109.8624 -206238.1783 17856.5322 0.0000 0.0000 34279.2187 -149209.2359 299.3689 -183488.4546 -149119.0287 299.5938 -30.3309 5.8211 558972.3260 -6.5842 -6.5669 PRESSURE: 1309600 135.678 66.4854 205.039 66.4853 4.68356 73.9417 205.04 73.942 -17.1701 GPRESSURE: 1309600 164.566 95.1801 240.646 85.8718 13.2919 52.8897 200.221 136.698 55.7962 PRESSAVG: 1309600 -26.7554 72.7188 -13.3592 72.7188 -24.8925 -61.6353 -13.3591 -61.6353 18.1843 GPRESSAVG: 1309600 -24.8998 73.8559 -14.5691 72.9961 -26.0717 -61.2283 -11.0084 -61.5742 17.7917 TIMING: 1309600 CPU: 3796.3, 0.00289051/step Wall: 3796.3, 0.00289051/step, 2.9631 hours remaining, 208.234375 MB of memory in use. ENERGY: 1309600 763.7023 2082.7844 1932.1733 109.3790 -206230.0542 17989.4817 0.0000 0.0000 34223.3857 -149129.1478 298.8813 -183352.5335 -149035.1557 299.3737 41.0637 77.8847 558712.2523 -11.1546 -11.0599 PRESSURE: 1309800 79.5807 -155.343 -64.5736 -155.344 -3.63926 -48.0071 -64.5728 -48.0067 -7.51052 GPRESSURE: 1309800 114.375 -95.2368 -21.2475 -140.157 -11.2355 -72.1768 -85.4459 -36.8251 70.7115 PRESSAVG: 1309800 39.4192 79.9036 28.5918 79.9036 -49.2686 4.64252 28.5918 4.64254 9.06616 GPRESSAVG: 1309800 39.2584 80.327 27.2267 78.9649 -48.7522 4.3914 29.0486 4.61994 9.10069 TIMING: 1309800 CPU: 3796.87, 0.0028855/step Wall: 3796.87, 0.0028855/step, 2.9578 hours remaining, 208.234375 MB of memory in use. ENERGY: 1309800 735.3995 2091.5415 1907.9024 116.4109 -206255.9581 17891.9946 0.0000 0.0000 34275.5726 -149237.1366 299.3371 -183512.7091 -149148.3613 298.4957 22.8103 57.9502 557576.6347 -0.2611 -0.1310 PRESSURE: 1310000 -72.0937 -61.3157 193.546 -61.3169 -157.388 -159.547 193.546 -159.546 -179.971 GPRESSURE: 1310000 -55.3527 17.6127 189.928 -92.1865 -171.515 -185.986 142.854 -142.083 -88.5624 PRESSAVG: 1310000 -19.7983 -8.60827 42.7689 -8.60826 -25.4021 -32.524 42.7689 -32.5241 15.4137 GPRESSAVG: 1310000 -19.4085 -8.15522 44.0646 -9.58344 -25.6651 -33.1942 40.9531 -32.7262 14.8622 TIMING: 1310000 CPU: 3797.45, 0.00288907/step Wall: 3797.45, 0.00288907/step, 2.96129 hours remaining, 208.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1310000 764.0686 2103.8491 1907.2670 113.2461 -205605.5791 17482.0648 0.0000 0.0000 34128.0060 -149107.0775 298.0484 -183235.0835 -149007.9960 298.2494 -136.4844 -105.1433 558826.0121 -9.9289 -10.0705 PRESSURE: 1310200 56.2898 -28.6114 -59.7476 -28.6122 139.357 -155.942 -59.7469 -155.942 -1.62675 GPRESSURE: 1310200 108.203 -9.14925 -12.6997 -90.5328 116.824 -156.865 -76.4921 -159.415 64.0153 PRESSAVG: 1310200 -26.9564 -32.1076 5.94279 -32.1076 -23.8859 -15.7204 5.94266 -15.7205 -8.99994 GPRESSAVG: 1310200 -27.4788 -33.9196 5.98521 -32.5712 -23.3918 -16.1587 5.66015 -13.2288 -8.49509 TIMING: 1310200 CPU: 3798.03, 0.00290528/step Wall: 3798.03, 0.00290528/step, 2.97775 hours remaining, 208.234375 MB of memory in use. ENERGY: 1310200 727.0179 2061.2978 1945.4803 118.6394 -206425.2317 18113.3903 0.0000 0.0000 34450.0652 -149009.3408 300.8610 -183459.4061 -148914.0168 299.3004 64.6733 96.3472 559088.0905 -19.9474 -19.7885 PRESSURE: 1310400 75.551 -2.58885 -112.268 -2.58962 37.8921 -5.02191 -112.268 -5.0216 -147.442 GPRESSURE: 1310400 110.311 21.508 -71.8916 -4.46335 22.4046 -66.6839 -171.456 15.1599 -66.877 PRESSAVG: 1310400 -3.0893 -8.14489 -11.8542 -8.14483 61.1058 -10.0604 -11.8541 -10.0605 -5.94656 GPRESSAVG: 1310400 -2.4348 -7.98786 -11.9792 -6.3078 61.2557 -8.85888 -13.3613 -12.1232 -6.80553 TIMING: 1310400 CPU: 3798.61, 0.00288352/step Wall: 3798.61, 0.00288352/step, 2.95528 hours remaining, 208.234375 MB of memory in use. ENERGY: 1310400 748.8374 2107.0421 1959.3640 133.5684 -206335.7601 17926.7294 0.0000 0.0000 34409.5777 -149050.6411 300.5074 -183460.2188 -148949.5255 299.5706 -11.3330 21.9463 558042.6268 17.3566 17.3385 PRESSURE: 1310600 -178.201 11.5606 -30.6997 11.5611 24.66 1.4074 -30.6997 1.40747 -58.466 GPRESSURE: 1310600 -102.397 -49.7765 11.2193 107.261 24.3664 -54.2122 -30.0063 12.1975 -45.6566 PRESSAVG: 1310600 -35.9329 -3.6028 16.6969 -3.60283 44.7555 -3.60293 16.697 -3.6029 18.2321 GPRESSAVG: 1310600 -36.9941 -4.47091 15.8972 -1.63478 44.7743 -5.84157 18.2261 -1.13696 19.5817 TIMING: 1310600 CPU: 3799.19, 0.00288945/step Wall: 3799.19, 0.00288945/step, 2.96121 hours remaining, 208.234375 MB of memory in use. ENERGY: 1310600 727.9246 2044.6712 1924.1331 106.6127 -206049.0947 17750.9089 0.0000 0.0000 34346.6509 -149148.1933 299.9578 -183494.8442 -149052.7656 298.9818 -70.6690 -41.2292 557604.9947 9.0183 9.1206 PRESSURE: 1310800 99.0744 20.7405 -110.33 20.7404 257.654 -34.3426 -110.33 -34.3429 40.5422 GPRESSURE: 1310800 142.567 -0.875364 -93.5037 -9.15479 286.479 -160.569 -80.1392 46.4173 60.6954 PRESSAVG: 1310800 7.1337 -26.9712 2.04012 -26.9712 17.5745 5.74111 2.04019 5.74106 -36.3391 GPRESSAVG: 1310800 7.60128 -26.6451 3.11798 -28.3098 18.0578 7.94916 2.69451 4.65718 -38.0084 TIMING: 1310800 CPU: 3799.76, 0.00286942/step Wall: 3799.76, 0.00286942/step, 2.94051 hours remaining, 208.234375 MB of memory in use. ENERGY: 1310800 732.7123 2082.9007 1911.4523 107.4443 -206424.0428 17911.1225 0.0000 0.0000 34398.0673 -149280.3435 300.4069 -183678.4108 -149188.8818 298.7518 132.4236 163.2470 556051.2106 -3.8769 -4.1165 PRESSURE: 1311000 75.6555 -150.831 -19.001 -150.832 -35.1026 -96.9579 -19.0012 -96.9579 309.647 GPRESSURE: 1311000 78.1431 -119.054 -102.123 -157.785 17.6473 -150.592 44.0818 -63.0849 358.45 PRESSAVG: 1311000 52.6838 28.6358 -30.5815 28.6358 -80.6391 -13.8415 -30.5815 -13.8415 27.4887 GPRESSAVG: 1311000 52.8337 28.6645 -31.3707 27.6799 -81.5707 -16.4434 -29.9106 -12.9161 28.2507 TIMING: 1311000 CPU: 3800.33, 0.00286341/step Wall: 3800.33, 0.00286341/step, 2.9342 hours remaining, 208.234375 MB of memory in use. ENERGY: 1311000 704.7484 2063.5455 1929.2554 112.4626 -206455.1252 18007.7657 0.0000 0.0000 34249.5828 -149387.7648 299.1101 -183637.3476 -149287.7477 299.0450 116.7333 151.4136 556670.0595 -0.1555 -0.1621 PRESSURE: 1311200 51.7844 51.0947 82.0521 51.0929 -118.747 -0.749636 82.0514 -0.751126 -182.199 GPRESSURE: 1311200 -6.44682 86.3305 35.0702 72.7995 -54.5782 8.96027 97.3841 -48.2645 -104.083 PRESSAVG: 1311200 60.8597 29.4887 13.8399 29.4888 -79.5855 -39.0004 13.84 -39.0004 9.53211 GPRESSAVG: 1311200 60.3876 29.2455 14.5554 29.1863 -79.0131 -38.7683 14.8558 -41.6725 9.69844 TIMING: 1311200 CPU: 3800.91, 0.0028849/step Wall: 3800.91, 0.0028849/step, 2.95607 hours remaining, 208.234375 MB of memory in use. ENERGY: 1311200 775.6349 2151.2572 1929.1280 108.7771 -206123.7964 17726.2573 0.0000 0.0000 34065.4086 -149367.3334 297.5017 -183432.7420 -149273.6625 299.2412 -83.0539 -55.0359 556262.4550 -3.0646 -2.9757 PRESSURE: 1311400 -100.148 88.3057 -0.201229 88.3055 -98.8854 -9.64641 -0.20253 -9.64489 51.8273 GPRESSURE: 1311400 -87.6875 157.188 -9.78869 155.607 -30.1457 -27.8349 -49.1565 44.4414 65.3898 PRESSAVG: 1311400 40.3931 67.6357 -23.8942 67.6356 -19.1785 -84.9275 -23.8942 -84.9276 30.5369 GPRESSAVG: 1311400 40.9568 68.7149 -23.1179 68.5899 -19.9616 -83.259 -26.6065 -84.6172 30.3754 TIMING: 1311400 CPU: 3801.49, 0.0028866/step Wall: 3801.49, 0.00288661/step, 2.95765 hours remaining, 208.234375 MB of memory in use. ENERGY: 1311400 754.5095 2061.8172 1933.2791 106.9378 -206047.8295 17688.5004 0.0000 0.0000 34286.4522 -149216.3331 299.4321 -183502.7854 -149119.5034 298.5612 -49.0688 -17.4811 557084.1012 17.2505 17.1235 PRESSURE: 1311600 -105.344 67.2403 -177.816 67.24 56.9535 -98.7044 -177.816 -98.7044 -195.492 GPRESSURE: 1311600 -105.796 10.7585 -120.614 66.948 89.3686 -107.857 -105.087 -94.9067 -131.122 PRESSAVG: 1311600 32.7736 -3.03522 2.51336 -3.03527 3.00552 -35.4143 2.51343 -35.4144 -44.5392 GPRESSAVG: 1311600 32.304 -3.33935 2.91896 -3.18349 4.0133 -35.0809 3.03046 -35.9924 -44.8282 TIMING: 1311600 CPU: 3802.06, 0.00286088/step Wall: 3802.06, 0.00286088/step, 2.93113 hours remaining, 208.234375 MB of memory in use. ENERGY: 1311600 743.8005 2083.5413 1960.2509 118.2663 -206531.9169 17861.1407 0.0000 0.0000 34500.1129 -149264.8044 301.2981 -183764.9174 -149165.8185 299.7612 -81.2940 -49.1830 556866.4418 -2.9200 -2.8370 PRESSURE: 1311800 236.95 -95.1569 -32.2302 -95.1569 -201.883 44.7331 -32.23 44.7332 97.2418 GPRESSURE: 1311800 257.369 -132.514 51.0576 -95.9019 -121.559 35.7089 -103.745 3.8424 97.3591 PRESSAVG: 1311800 44.6278 -25.4237 -6.71818 -25.4237 -47.6542 -58.5722 -6.71824 -58.5721 -20.1352 GPRESSAVG: 1311800 44.3407 -25.5556 -7.538 -24.2692 -46.8262 -59.1245 -8.30546 -59.9737 -20.284 TIMING: 1311800 CPU: 3802.64, 0.0028919/step Wall: 3802.64, 0.0028919/step, 2.96275 hours remaining, 208.234375 MB of memory in use. ENERGY: 1311800 760.0490 2148.4435 1925.9416 111.7603 -206547.8489 17953.0724 0.0000 0.0000 34477.2921 -149171.2899 301.0988 -183648.5820 -149070.0683 299.9453 44.1031 77.7231 555665.8001 -7.7205 -7.5898 PRESSURE: 1312000 -340.359 -43.9464 -27.5846 -43.9472 -118.725 -62.0693 -27.5842 -62.071 -266.803 GPRESSURE: 1312000 -274.595 90.1229 -42.2267 -49.2685 -57.2283 -26.5894 -64.3877 -48.3911 -290.295 PRESSAVG: 1312000 2.58467 66.0597 7.63977 66.0598 83.6702 -33.5423 7.63979 -33.5424 -84.2396 GPRESSAVG: 1312000 4.12895 66.2946 5.47542 63.8743 82.2965 -32.6795 8.38688 -31.8464 -84.5328 TIMING: 1312000 CPU: 3803.21, 0.00285813/step Wall: 3803.21, 0.00285813/step, 2.928 hours remaining, 208.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1312000 757.8642 2098.4595 1944.3579 102.5864 -205584.0732 17289.5035 0.0000 0.0000 34273.1949 -149118.1067 299.3163 -183391.3016 -149021.4079 299.1949 -241.9626 -207.3726 556650.8286 0.6718 0.6309 PRESSURE: 1312200 -30.3804 -3.20742 -120.072 -3.20808 114.739 91.9611 -120.073 91.9599 -187.115 GPRESSURE: 1312200 6.73374 17.3823 -143.693 57.0637 97.9985 73.4125 -65.131 126.814 -116.444 PRESSAVG: 1312200 28.2698 34.6581 18.3517 34.6581 73.8767 10.0044 18.3517 10.0044 -59.9265 GPRESSAVG: 1312200 27.6767 35.7417 18.6976 35.8637 73.9345 9.11961 18.5549 11.0232 -59.1853 TIMING: 1312200 CPU: 3803.79, 0.00288859/step Wall: 3803.79, 0.00288859/step, 2.95904 hours remaining, 208.234375 MB of memory in use. ENERGY: 1312200 741.3757 2094.1965 1921.3503 110.2869 -206165.3812 17671.6643 0.0000 0.0000 34504.0002 -149122.5072 301.3320 -183626.5074 -149026.9833 299.9685 -34.2522 -3.9040 555769.8788 14.0733 14.1420 LDB: ============= START OF LOAD BALANCING ============== 3807.17 LDB: ============== END OF LOAD BALANCING =============== 3807.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3807.17 LDB: ============= START OF LOAD BALANCING ============== 3807.46 LDB: Largest compute 4822 load 0.027164 is 23.0% of average load 0.118029 LDB: Average compute 0.001716 is 1.5% of average load 0.118029 LDB: TIME 3807.46 LOAD: AVG 0.118029 MAX 0.18407 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.801 MB LDB: TIME 3807.46 LOAD: AVG 0.118029 MAX 0.18407 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.043 MB LDB: TIME 3807.46 LOAD: AVG 0.118029 MAX 0.18407 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.043 MB LDB: ============== END OF LOAD BALANCING =============== 3807.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3807.47 PRESSURE: 1312400 -336.419 242.872 -67.9168 242.872 -82.2568 11.8324 -67.9154 11.8321 -346.514 GPRESSURE: 1312400 -269.617 188.114 -50.8584 234.31 -59.1278 -56.4582 -77.5952 66.0038 -347.491 PRESSAVG: 1312400 43.5577 -6.23213 17.9627 -6.23223 -39.856 -1.5963 17.9627 -1.59636 18.3322 GPRESSAVG: 1312400 43.7597 -8.44896 19.0571 -3.48942 -39.9181 -1.36145 16.9134 -3.21297 17.9038 TIMING: 1312400 CPU: 3804.37, 0.00293127/step Wall: 3804.37, 0.00293127/step, 3.0026 hours remaining, 207.339844 MB of memory in use. ENERGY: 1312400 774.0137 2138.0921 1912.6518 114.3974 -205991.0700 17611.8814 0.0000 0.0000 34297.8100 -149142.2237 299.5313 -183440.0337 -149044.8875 299.2401 -255.0632 -225.4120 557615.6497 7.3446 7.2484 PRESSURE: 1312600 -150.657 -84.4694 -106.45 -84.4694 74.8315 -49.3906 -106.449 -49.3915 149.911 GPRESSURE: 1312600 -99.4967 -43.2299 -102.413 -136.489 127.777 -33.0703 -113.082 -65.0508 161.303 PRESSAVG: 1312600 -10.7656 29.7916 -88.8082 29.7915 -4.42737 28.277 -88.8081 28.2772 -15.9878 GPRESSAVG: 1312600 -10.1079 31.1609 -89.3864 26.7847 -4.59742 29.0949 -87.1557 30.6735 -16.3319 TIMING: 1312600 CPU: 3804.95, 0.00286446/step Wall: 3804.95, 0.00286446/step, 2.934 hours remaining, 207.339844 MB of memory in use. ENERGY: 1312600 743.2561 2120.0084 1916.6477 121.4742 -206528.3178 17949.5723 0.0000 0.0000 34388.8375 -149288.5217 300.3263 -183677.3591 -149194.7683 298.9154 24.6952 63.1946 556913.6656 -10.3936 -10.3457 PRESSURE: 1312800 256.505 17.3459 -186.694 17.3453 25.0998 139.911 -186.696 139.91 195.71 GPRESSURE: 1312800 264.394 9.27028 -77.8156 32.5105 48.9555 111.959 -157.667 128.453 259.71 PRESSAVG: 1312800 -8.69972 -30.4028 10.1693 -30.4029 -34.4798 55.6699 10.1693 55.6699 45.3022 GPRESSAVG: 1312800 -9.27393 -28.6252 11.7516 -29.9802 -34.6309 55.6338 8.36739 54.7735 46.7123 TIMING: 1312800 CPU: 3805.52, 0.00286998/step Wall: 3805.52, 0.00286998/step, 2.9395 hours remaining, 207.339844 MB of memory in use. ENERGY: 1312800 750.5481 2025.2992 1941.9191 101.1250 -206725.5869 17974.8937 0.0000 0.0000 34371.2750 -149560.5268 300.1729 -183931.8018 -149466.1558 298.6346 159.1047 191.0200 556553.0327 0.7075 0.9358 PRESSURE: 1313000 154.134 -39.4365 133.421 -39.4361 -0.075878 -137.688 133.421 -137.688 406.934 GPRESSURE: 1313000 182.651 -10.213 210.202 -10.9822 26.4795 -117.071 106.898 -157.247 446.979 PRESSAVG: 1313000 -59.0998 -50.764 36.0204 -50.764 36.4275 -3.66346 36.0204 -3.66341 -36.5158 GPRESSAVG: 1313000 -59.0338 -52.2847 35.118 -50.4956 37.1753 -3.52174 37.066 -3.13078 -37.6702 TIMING: 1313000 CPU: 3806.1, 0.00289347/step Wall: 3806.1, 0.00289347/step, 2.9634 hours remaining, 207.339844 MB of memory in use. ENERGY: 1313000 736.9413 2096.1640 1943.2431 99.0593 -206588.0242 18000.4285 0.0000 0.0000 34261.2021 -149450.9859 299.2116 -183712.1880 -149356.6012 298.2536 186.9975 218.7034 556953.0915 -19.7294 -19.8429 PRESSURE: 1313200 -280.799 58.1234 51.2695 58.1245 -474.137 -25.9682 51.2699 -25.9695 18.2607 GPRESSURE: 1313200 -240.817 -10.4654 41.1932 122.294 -392.854 -136.758 48.3931 45.9817 -4.60569 PRESSAVG: 1313200 47.9924 -8.58204 7.5643 -8.58204 26.6216 -38.9547 7.5643 -38.9548 -35.7827 GPRESSAVG: 1313200 46.8356 -8.82088 6.36388 -8.6189 26.553 -41.9332 9.04214 -38.7037 -34.5007 TIMING: 1313200 CPU: 3806.68, 0.00288363/step Wall: 3806.68, 0.00288363/step, 2.95315 hours remaining, 207.339844 MB of memory in use. ENERGY: 1313200 748.3153 2123.8728 1916.2731 105.8248 -206246.3416 17711.4827 0.0000 0.0000 34063.2307 -149577.3423 297.4827 -183640.5729 -149489.7063 298.2842 -245.5585 -212.7591 559163.2846 12.9438 12.9627 PRESSURE: 1313400 -26.3928 -50.8632 -75.0323 -50.8635 -2.48401 -27.8359 -75.0316 -27.8362 331.547 GPRESSURE: 1313400 -62.0353 19.7617 -64.4326 -82.707 15.206 -132.51 -30.8854 -30.3099 434.713 PRESSAVG: 1313400 -52.1913 -0.107803 37.9579 -0.107767 0.125607 -20.0141 37.9579 -20.014 29.932 GPRESSAVG: 1313400 -52.2586 -0.0967871 38.5917 0.246932 0.586083 -18.5031 38.1287 -20.9538 29.4671 TIMING: 1313400 CPU: 3807.26, 0.00289728/step Wall: 3807.26, 0.00289728/step, 2.96697 hours remaining, 207.339844 MB of memory in use. ENERGY: 1313400 789.8262 2063.4564 1912.4041 105.5814 -206877.9060 18253.0306 0.0000 0.0000 34060.1270 -149693.4802 297.4556 -183753.6073 -149594.4411 297.5854 100.8902 129.2947 558653.0271 -7.3779 -7.4018 PRESSURE: 1313600 -100.099 76.9484 92.5558 76.9482 -108.597 106.961 92.556 106.962 -10.3169 GPRESSURE: 1313600 -50.4081 91.0415 35.6139 34.7224 -47.4329 39.5573 173.871 178.366 -22.9026 PRESSAVG: 1313600 8.03624 -17.0503 -18.2577 -17.0503 -39.8568 57.9195 -18.2577 57.9195 -0.812212 GPRESSAVG: 1313600 8.04542 -17.0215 -16.7166 -16.9237 -40.4763 58.7084 -17.5913 59.1229 -0.946362 TIMING: 1313600 CPU: 3807.84, 0.00291261/step Wall: 3807.84, 0.00291261/step, 2.98251 hours remaining, 207.339844 MB of memory in use. ENERGY: 1313600 771.3959 2095.0038 1955.1997 111.3764 -206348.7381 17758.5756 0.0000 0.0000 34169.1521 -149488.0345 298.4077 -183657.1866 -149397.5579 298.3690 -73.0044 -40.2479 559089.5535 -10.8776 -11.1257 PRESSURE: 1313800 -123.517 -81.932 51.8886 -81.9325 -130.602 3.98042 51.8874 3.98212 -188.017 GPRESSURE: 1313800 -103.669 -35.6319 -62.5731 -150.424 -112.214 -24.7389 103.126 17.5735 -125.58 PRESSAVG: 1313800 -8.02633 29.1031 13.451 29.1031 30.6682 20.7103 13.4511 20.7102 -3.03449 GPRESSAVG: 1313800 -8.59965 31.8918 11.1174 25.996 30.8421 20.4859 13.9849 20.3993 -3.10353 TIMING: 1313800 CPU: 3808.42, 0.00288752/step Wall: 3808.42, 0.00288752/step, 2.95666 hours remaining, 207.339844 MB of memory in use. ENERGY: 1313800 768.3403 2148.3103 1928.4695 111.3498 -206777.3255 17915.0538 0.0000 0.0000 34528.4787 -149377.3231 301.5458 -183905.8018 -149275.4405 299.0773 -147.3788 -113.8208 558883.5477 6.5358 6.3796 PRESSURE: 1314000 -21.8012 146.375 18.5825 146.375 6.55211 -28.3754 18.5818 -28.3762 -17.5879 GPRESSURE: 1314000 29.0502 190.568 -15.9467 97.5656 29.9988 -10.4758 37.5455 -38.7574 -5.55821 PRESSAVG: 1314000 28.1287 -0.858747 39.2789 -0.858783 10.3116 14.9894 39.2789 14.9894 13.2769 GPRESSAVG: 1314000 28.726 -5.5871 41.2164 2.90974 10.066 16.5666 38.4599 12.4484 12.9106 TIMING: 1314000 CPU: 3809, 0.00290479/step Wall: 3809, 0.00290479/step, 2.97418 hours remaining, 207.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1314000 739.5390 2064.3414 1945.0146 116.4088 -206499.3662 17823.5157 0.0000 0.0000 34523.2497 -149287.2971 301.5001 -183810.5468 -149185.1403 299.3088 -10.9457 17.8303 557139.1974 17.2391 17.2342 PRESSURE: 1314200 -181.336 -100.374 19.858 -100.373 -35.6508 -28.998 19.8571 -28.9997 21.0108 GPRESSURE: 1314200 -170.946 -162.771 8.9153 6.09131 66.0089 34.8967 6.98905 -33.323 9.47861 PRESSAVG: 1314200 -32.1867 1.46388 57.2073 1.46395 -51.6541 43.3891 57.2072 43.389 23.1935 GPRESSAVG: 1314200 -32.1842 4.3637 56.457 -1.22604 -51.3519 41.5538 56.4419 43.7742 23.0677 TIMING: 1314200 CPU: 3809.58, 0.0028962/step Wall: 3809.58, 0.0028962/step, 2.96523 hours remaining, 207.339844 MB of memory in use. ENERGY: 1314200 753.3822 2063.9485 1928.4796 105.9362 -205996.1013 17634.1178 0.0000 0.0000 34088.0006 -149422.2366 297.6990 -183510.2372 -149328.0852 299.2852 -65.3254 -31.8195 556952.6019 -20.2157 -20.1561 PRESSURE: 1314400 -145.329 -42.701 151.113 -42.7011 20.7167 -186.857 151.113 -186.857 -185.843 GPRESSURE: 1314400 -127.294 -75.1028 136.644 -23.9137 109.86 -177.942 135.823 -97.562 -190.078 PRESSAVG: 1314400 22.954 -57.4291 65.0169 -57.4291 -6.10404 47.993 65.0169 47.993 -27.0872 GPRESSAVG: 1314400 23.1832 -57.6197 64.9475 -56.8981 -6.9704 46.8839 64.9496 49.1732 -27.0699 TIMING: 1314400 CPU: 3810.15, 0.00286814/step Wall: 3810.15, 0.00286814/step, 2.93633 hours remaining, 207.339844 MB of memory in use. ENERGY: 1314400 741.2510 2167.9234 1959.1810 118.7556 -206059.9782 17612.4094 0.0000 0.0000 34073.9618 -149386.4961 297.5764 -183460.4579 -149299.3453 298.7306 -103.4850 -69.1706 557583.7770 -3.4124 -3.6190 PRESSURE: 1314600 29.8148 172.099 16.8718 172.098 -12.8727 63.1613 16.8709 63.1609 -17.0291 GPRESSURE: 1314600 24.7613 132.464 31.4751 224.962 17.5275 89.9695 84.7724 90.2736 54.3479 PRESSAVG: 1314600 -53.0581 11.3196 11.7009 11.3195 -7.65487 -4.86804 11.701 -4.86812 69.31 GPRESSAVG: 1314600 -53.4572 8.83071 10.717 10.068 -6.78572 -4.36128 12.5959 -5.80404 68.9024 TIMING: 1314600 CPU: 3810.73, 0.00290036/step Wall: 3810.73, 0.00290036/step, 2.96916 hours remaining, 207.339844 MB of memory in use. ENERGY: 1314600 740.9718 2107.6694 1938.9839 112.3832 -206284.0450 17862.0989 0.0000 0.0000 34121.2153 -149400.7224 297.9891 -183521.9377 -149298.6908 298.8806 -0.0290 32.2122 556093.5205 2.8657 2.8865 PRESSURE: 1314800 -27.0108 184.649 -155.25 184.651 -5.64051 -57.1171 -155.25 -57.1167 112.901 GPRESSURE: 1314800 -17.1399 244.342 -231.242 101.606 14.7653 -157.141 -62.0205 51.0679 182.044 PRESSAVG: 1314800 56.9169 -12.4953 45.6039 -12.4953 5.4284 -39.8368 45.6039 -39.8367 -25.2916 GPRESSAVG: 1314800 56.6232 -11.981 47.2234 -9.26594 4.04548 -39.5845 44.5632 -40.7975 -22.9896 TIMING: 1314800 CPU: 3811.31, 0.00290874/step Wall: 3811.31, 0.00290874/step, 2.97758 hours remaining, 207.339844 MB of memory in use. ENERGY: 1314800 782.4171 2149.4304 1935.1527 127.9967 -206827.5505 18028.0599 0.0000 0.0000 34398.8507 -149405.6432 300.4137 -183804.4938 -149317.8598 299.5641 26.7499 59.8897 556472.4896 12.3512 12.5597 PRESSURE: 1315000 119.48 -10.3728 -50.9391 -10.3725 174.696 52.7844 -50.9387 52.784 143.085 GPRESSURE: 1315000 144.275 -15.5751 78.2314 21.2316 192.322 52.8993 -64.5209 41.6766 187.616 PRESSAVG: 1315000 -11.9017 49.5393 -0.683414 49.5393 9.11521 1.19727 -0.683421 1.19721 20.3206 GPRESSAVG: 1315000 -14.2013 49.7868 -1.33057 47.0507 10.8274 1.84337 -0.0826152 3.5574 20.4385 TIMING: 1315000 CPU: 3811.89, 0.00289473/step Wall: 3811.89, 0.00289473/step, 2.96307 hours remaining, 207.339844 MB of memory in use. ENERGY: 1315000 747.6046 2078.0203 1938.5061 122.8296 -206885.6523 18229.6576 0.0000 0.0000 34404.6274 -149364.4067 300.4642 -183769.0341 -149267.9830 299.0255 145.7539 174.7372 557085.9728 5.8447 5.6882 PRESSURE: 1315200 182.912 12.0945 58.1666 12.0958 106.271 -66.3717 58.167 -66.3715 -128.316 GPRESSURE: 1315200 227.819 -87.8875 -37.1968 110.815 156.486 -84.2601 63.1747 -63.4659 -108.961 PRESSAVG: 1315200 37.028 -36.0762 6.7912 -36.0763 25.3059 -54.0686 6.79125 -54.0684 -12.8818 GPRESSAVG: 1315200 38.3864 -37.8385 5.78378 -33.4649 24.7883 -54.2909 6.43294 -55.9106 -13.8913 TIMING: 1315200 CPU: 3812.47, 0.00288445/step Wall: 3812.47, 0.00288445/step, 2.95239 hours remaining, 207.339844 MB of memory in use. ENERGY: 1315200 755.5487 2091.8935 1961.1288 118.4073 -206800.0959 18100.0997 0.0000 0.0000 34240.9176 -149532.1003 299.0344 -183773.0179 -149429.3247 298.5525 53.6224 91.7810 556821.5585 16.4841 16.4278 PRESSURE: 1315400 28.1484 -195.686 20.1696 -195.686 26.649 91.0523 20.1706 91.0519 -80.417 GPRESSURE: 1315400 74.6471 -166.456 32.4807 -247.405 45.2827 144.317 30.4323 35.0894 -47.132 PRESSAVG: 1315400 59.3319 -8.2415 33.618 -8.2414 25.6203 -75.2429 33.6179 -75.2429 -24.4229 GPRESSAVG: 1315400 59.8898 -6.41639 35.9448 -10.3708 26.3657 -74.2809 32.2172 -74.5351 -25.5617 TIMING: 1315400 CPU: 3813.05, 0.00289255/step Wall: 3813.05, 0.00289255/step, 2.96052 hours remaining, 207.339844 MB of memory in use. ENERGY: 1315400 730.7303 2090.5568 1924.5010 116.6792 -206514.7075 17936.9285 0.0000 0.0000 34139.5316 -149575.7800 298.1490 -183715.3116 -149482.9070 298.0192 -8.5399 24.2659 557543.7596 20.1764 20.2313 PRESSURE: 1315600 -23.36 8.7992 49.729 8.79856 8.64473 -9.58441 49.7295 -9.5845 -123.71 GPRESSURE: 1315600 -94.5339 49.2024 -30.6681 52.0879 68.845 -47.9721 57.5322 -14.3003 -31.126 PRESSAVG: 1315600 70.0052 22.1128 25.3312 22.1128 -63.6777 -27.124 25.3313 -27.124 -55.1651 GPRESSAVG: 1315600 68.2175 21.3191 23.4685 23.4542 -62.8311 -27.8629 27.1264 -28.1376 -54.4959 TIMING: 1315600 CPU: 3813.62, 0.00286812/step Wall: 3813.62, 0.00286812/step, 2.93536 hours remaining, 207.339844 MB of memory in use. ENERGY: 1315600 754.1220 2152.2139 1949.4430 110.9851 -206974.9533 18035.9176 0.0000 0.0000 34367.9919 -149604.2797 300.1442 -183972.2716 -149502.1791 298.8590 -46.1416 -18.9383 558256.9219 -16.2792 -16.3699 PRESSURE: 1315800 123.577 19.0085 212.689 19.0072 44.513 -327.624 212.69 -327.624 28.9707 GPRESSURE: 1315800 151.219 18.4064 194.011 51.4061 87.6148 -328.171 261.356 -296.075 66.7021 PRESSAVG: 1315800 34.78 8.99698 -34.7515 8.99699 53.7706 -47.9897 -34.7514 -47.9897 -98.4664 GPRESSAVG: 1315800 35.8951 11.6171 -34.4927 4.57457 53.1176 -48.9818 -34.5873 -46.359 -98.4141 TIMING: 1315800 CPU: 3814.19, 0.00287909/step Wall: 3814.19, 0.00287909/step, 2.94643 hours remaining, 207.367188 MB of memory in use. ENERGY: 1315800 774.0033 2063.5430 1933.0057 104.3421 -206426.6974 17891.0467 0.0000 0.0000 34132.5769 -149528.1797 298.0883 -183660.7566 -149433.2283 297.7096 65.6870 101.8454 556628.7579 -3.3053 -3.1338 PRESSURE: 1316000 79.8423 36.6971 121.721 36.6961 -273.235 69.7798 121.722 69.7788 -94.2717 GPRESSURE: 1316000 141.76 -20.4319 186.45 119.793 -271.513 42.7036 147.298 94.3296 -61.4254 PRESSAVG: 1316000 39.1666 29.0693 65.3901 29.0694 -52.1932 -21.7906 65.3901 -21.7906 37.0426 GPRESSAVG: 1316000 39.4035 28.0631 66.8104 34.1536 -51.9631 -19.9848 64.9078 -22.8551 35.7312 TIMING: 1316000 CPU: 3814.77, 0.00288961/step Wall: 3814.77, 0.00288961/step, 2.95704 hours remaining, 207.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1316000 739.3616 2030.7773 1938.6728 107.2212 -206526.1633 17744.6305 0.0000 0.0000 34511.6134 -149453.8866 301.3985 -183965.5000 -149354.8597 298.7163 -95.8880 -63.7261 557982.5811 8.0054 7.7239 PRESSURE: 1316200 -209.476 64.1051 -2.15216 64.105 -302.548 -80.0352 -2.15087 -80.0362 89.6884 GPRESSURE: 1316200 -110.115 57.3261 -48.8852 74.5752 -282.823 -27.5841 -13.5842 -73.2795 79.4674 PRESSAVG: 1316200 96.7551 -65.7348 59.0978 -65.7348 -76.9318 29.7015 59.0978 29.7015 -23.1877 GPRESSAVG: 1316200 96.8606 -64.166 59.0433 -67.5163 -78.1513 28.033 56.6484 28.2869 -22.857 TIMING: 1316200 CPU: 3815.35, 0.0028942/step Wall: 3815.35, 0.0028942/step, 2.96157 hours remaining, 207.367188 MB of memory in use. ENERGY: 1316200 760.3060 2028.4846 1909.0795 111.7159 -206116.9849 17555.4328 0.0000 0.0000 34088.5472 -149663.4189 297.7038 -183751.9661 -149566.7092 297.9877 -140.7785 -104.4902 556745.7037 -1.1215 -1.3826 LDB: ============= START OF LOAD BALANCING ============== 3818.74 LDB: ============== END OF LOAD BALANCING =============== 3818.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3818.74 LDB: ============= START OF LOAD BALANCING ============== 3819.03 LDB: Largest compute 4822 load 0.027524 is 23.3% of average load 0.117969 LDB: Average compute 0.001713 is 1.5% of average load 0.117969 LDB: TIME 3819.04 LOAD: AVG 0.117969 MAX 0.180857 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.141 MB LDB: TIME 3819.04 LOAD: AVG 0.117969 MAX 0.180857 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: TIME 3819.04 LOAD: AVG 0.117969 MAX 0.180857 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: ============== END OF LOAD BALANCING =============== 3819.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3819.04 PRESSURE: 1316400 -296.142 -94.8769 161.885 -94.8759 -374.646 35.4727 161.887 35.471 -58.2142 GPRESSURE: 1316400 -284.161 -130.301 138.781 -94.0621 -274.966 -7.53 207.214 89.3805 -69.012 PRESSAVG: 1316400 -6.59387 4.25203 -34.9121 4.25207 -51.729 -28.7252 -34.9119 -28.7252 10.2385 GPRESSAVG: 1316400 -7.22729 2.65407 -35.419 5.20768 -50.8696 -27.1066 -33.5611 -28.1744 9.98295 TIMING: 1316400 CPU: 3815.95, 0.00297482/step Wall: 3815.95, 0.00297482/step, 3.04391 hours remaining, 209.417969 MB of memory in use. ENERGY: 1316400 769.4199 2119.5120 1943.0542 112.3451 -206117.0567 17620.3774 0.0000 0.0000 34067.1623 -149485.1858 297.5170 -183552.3481 -149391.5611 297.6153 -243.0005 -209.3797 558448.5353 -16.0281 -16.0380 PRESSURE: 1316600 -207.94 -14.2022 -24.2652 -14.2017 -312.977 60.6343 -24.2646 60.6332 -85.05 GPRESSURE: 1316600 -170.887 -13.7124 -69.4323 87.7649 -247.257 73.9626 5.14946 60.8438 -84.2928 PRESSAVG: 1316600 -6.85072 -31.2341 85.6925 -31.2341 -15.8447 -13.774 85.6925 -13.7739 63.4289 GPRESSAVG: 1316600 -6.08339 -30.3514 85.5585 -31.5998 -16.6918 -15.5222 87.462 -10.7159 63.2753 TIMING: 1316600 CPU: 3816.53, 0.00290136/step Wall: 3816.53, 0.00290136/step, 2.96858 hours remaining, 209.617188 MB of memory in use. ENERGY: 1316600 753.8377 2092.4279 1967.8704 111.6116 -206223.4221 17640.1092 0.0000 0.0000 34353.9292 -149303.6361 300.0214 -183657.5653 -149207.6929 297.9743 -201.9893 -167.4787 557696.4707 13.5778 13.5000 PRESSURE: 1316800 33.4904 28.4868 -80.6818 28.4869 -493.833 -16.0177 -80.6813 -16.0175 -158.389 GPRESSURE: 1316800 23.3019 93.0172 -85.8131 -5.60641 -426.66 -3.25829 -153.236 -0.83734 -115.777 PRESSAVG: 1316800 -22.3878 -19.1794 59.3264 -19.1794 -15.6435 -23.5027 59.3263 -23.5027 69.637 GPRESSAVG: 1316800 -23.2135 -18.7619 59.589 -18.3219 -15.4704 -23.4305 58.652 -26.7929 70.5316 TIMING: 1316800 CPU: 3817.11, 0.00289777/step Wall: 3817.11, 0.00289777/step, 2.96474 hours remaining, 209.617188 MB of memory in use. ENERGY: 1316800 760.6497 2085.0340 1914.9784 113.0374 -206329.3315 17580.3815 0.0000 0.0000 34370.8162 -149504.4341 300.1689 -183875.2504 -149405.0421 298.6769 -206.2441 -173.0450 556876.2455 10.5353 10.6159 PRESSURE: 1317000 -65.9141 -75.3246 -58.1817 -75.3244 -139.35 -124.403 -58.1819 -124.401 258.818 GPRESSURE: 1317000 13.3158 -45.6818 -137.924 -75.8988 -135.812 -171.191 -73.889 -101.722 269.773 PRESSAVG: 1317000 -23.6417 31.4261 -1.76384 31.426 -24.6386 -53.881 -1.76381 -53.881 74.649 GPRESSAVG: 1317000 -21.4792 32.2065 -4.68647 30.7988 -26.1526 -56.3406 -2.28228 -51.1848 73.5651 TIMING: 1317000 CPU: 3817.68, 0.00288517/step Wall: 3817.68, 0.00288517/step, 2.95169 hours remaining, 209.617188 MB of memory in use. ENERGY: 1317000 707.1712 2044.0879 1914.2790 113.1997 -206192.1809 17822.6541 0.0000 0.0000 34034.3994 -149556.3895 297.2309 -183590.7889 -149457.2596 297.4887 17.8513 49.0924 556037.0133 8.7896 8.6444 PRESSURE: 1317200 -1.9509 -90.7918 48.0276 -90.7921 0.943712 37.3397 48.027 37.3395 110.316 GPRESSURE: 1317200 -27.5287 -35.3311 32.9761 -77.5173 34.9678 -10.6062 6.59208 74.7324 191.033 PRESSAVG: 1317200 -5.21997 -15.2441 55.0446 -15.2441 -43.5991 -1.57229 55.0446 -1.57235 56.6726 GPRESSAVG: 1317200 -7.67877 -17.0366 57.6267 -14.4377 -41.2665 1.45548 55.7949 -3.44417 56.1681 TIMING: 1317200 CPU: 3818.26, 0.00288267/step Wall: 3818.26, 0.00288267/step, 2.94897 hours remaining, 209.617188 MB of memory in use. ENERGY: 1317200 728.1943 2009.2256 1954.1267 105.2599 -206213.9544 17899.6845 0.0000 0.0000 34075.5547 -149441.9089 297.5903 -183517.4635 -149340.7079 297.8742 36.4362 66.1573 557437.8540 2.6179 2.4076 PRESSURE: 1317400 -86.777 108.323 -100.542 108.321 -26.2076 104.709 -100.543 104.707 -22.5612 GPRESSURE: 1317400 -21.1941 137.053 -138.922 48.7656 -23.6497 150.224 -31.6799 95.4099 10.8805 PRESSAVG: 1317400 7.30794 12.4591 40.9851 12.4591 -1.6371 -11.3229 40.9851 -11.3229 2.67712 GPRESSAVG: 1317400 7.67436 13.246 40.7672 11.9147 -2.77584 -12.4082 41.2021 -10.9497 3.69117 TIMING: 1317400 CPU: 3818.84, 0.00289017/step Wall: 3818.84, 0.00289017/step, 2.95648 hours remaining, 209.617188 MB of memory in use. ENERGY: 1317400 728.1926 2037.9580 1943.1487 108.2505 -206663.9858 17890.0904 0.0000 0.0000 34458.1662 -149498.1792 300.9317 -183956.3455 -149396.1255 298.3989 -45.1819 -11.3211 557942.4667 2.7827 2.8632 PRESSURE: 1317600 -281.333 -184.697 5.17738 -184.696 -291.324 39.0445 5.17721 39.0455 -31.226 GPRESSURE: 1317600 -202.906 -56.4919 -38.1526 -191.71 -290.164 13.5146 48.2332 118.019 -6.61499 PRESSAVG: 1317600 -39.122 10.8134 -26.1224 10.8135 -57.4296 -15.1834 -26.1224 -15.1833 28.2381 GPRESSAVG: 1317600 -40.0095 11.3314 -25.9708 9.89076 -56.0503 -15.2836 -25.3021 -14.3646 28.3585 TIMING: 1317600 CPU: 3819.42, 0.00289464/step Wall: 3819.42, 0.00289464/step, 2.9609 hours remaining, 209.617188 MB of memory in use. ENERGY: 1317600 740.1225 2079.9739 1937.6398 99.9140 -205874.6849 17434.4002 0.0000 0.0000 34196.0746 -149386.5599 298.6428 -183582.6345 -149295.9026 298.7372 -201.2944 -166.5617 558524.3728 -22.7712 -22.5671 PRESSURE: 1317800 -300.966 -104.504 26.5553 -104.503 -122.281 19.9729 26.5564 19.9721 -213.348 GPRESSURE: 1317800 -267.775 -110.665 11.5865 -75.0231 -77.3708 80.6732 18.8919 -16.1248 -191.989 PRESSAVG: 1317800 -21.8819 -25.5043 51.5123 -25.5043 -37.0636 -32.9754 51.5124 -32.9753 60.9348 GPRESSAVG: 1317800 -21.054 -26.8848 50.395 -24.7729 -37.7432 -30.621 51.1502 -34.4135 60.7502 TIMING: 1317800 CPU: 3820, 0.00290858/step Wall: 3820, 0.00290858/step, 2.975 hours remaining, 209.617188 MB of memory in use. ENERGY: 1317800 754.7932 2024.0965 1948.1927 114.3992 -205752.5121 17429.0253 0.0000 0.0000 33911.0584 -149570.9468 296.1537 -183482.0052 -149476.0065 298.0871 -212.1984 -179.0450 556359.1631 0.6631 0.6510 PRESSURE: 1318000 -235.994 -34.7484 -55.4966 -34.7486 30.5296 -40.7049 -55.4966 -40.703 44.3315 GPRESSURE: 1318000 -123.278 -20.2325 -109.525 -14.4365 75.156 -88.4404 -16.4913 -51.8921 -11.1768 PRESSAVG: 1318000 19.4854 -70.5852 22.4572 -70.5852 76.6515 -15.2385 22.4572 -15.2384 -75.0971 GPRESSAVG: 1318000 19.0935 -71.6112 22.9844 -67.0161 75.9999 -18.1728 22.7311 -13.6706 -74.0059 TIMING: 1318000 CPU: 3820.58, 0.00289525/step Wall: 3820.58, 0.00289525/step, 2.9612 hours remaining, 209.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1318000 755.1721 2094.2449 1902.7964 114.2828 -206366.1108 17706.7288 0.0000 0.0000 34179.7904 -149613.0954 298.5006 -183792.8858 -149508.3430 297.9111 -53.7110 -19.7661 555626.7944 7.0133 7.0291 PRESSURE: 1318200 62.1784 20.8934 48.0216 20.8941 230.801 -11.2527 48.0213 -11.2514 89.9891 GPRESSURE: 1318200 82.4208 -21.3688 53.9092 57.1016 232.611 -65.6561 41.6608 26.0379 163.179 PRESSAVG: 1318200 38.6491 -39.0668 -26.212 -39.0668 -28.2757 -37.9884 -26.2119 -37.9884 31.3057 GPRESSAVG: 1318200 39.0319 -37.4443 -25.3134 -42.9996 -27.3981 -35.7829 -26.431 -40.8248 29.8641 TIMING: 1318200 CPU: 3821.15, 0.00288502/step Wall: 3821.15, 0.00288502/step, 2.95058 hours remaining, 209.617188 MB of memory in use. ENERGY: 1318200 727.6979 2038.8184 1936.2941 112.4181 -206304.6770 17932.1091 0.0000 0.0000 34183.9401 -149373.3992 298.5369 -183557.3393 -149278.3269 298.4112 127.6562 159.4034 556870.1774 13.8930 13.8326 PRESSURE: 1318400 -2.5415 -232.225 -23.7717 -232.225 -363.848 151.053 -23.7722 151.053 -260.026 GPRESSURE: 1318400 70.8252 -222.383 -36.7434 -232.606 -329.62 251.791 -48.5331 91.8687 -261.453 PRESSAVG: 1318400 19.4171 -22.7594 -20.0315 -22.7594 -24.8394 -35.2971 -20.0315 -35.2971 4.52195 GPRESSAVG: 1318400 19.242 -22.571 -18.7954 -21.9914 -24.6756 -36.5099 -21.2723 -33.6063 5.20118 TIMING: 1318400 CPU: 3821.73, 0.00289538/step Wall: 3821.73, 0.00289538/step, 2.96101 hours remaining, 209.617188 MB of memory in use. ENERGY: 1318400 722.5128 2082.6296 1910.1690 110.0983 -205992.1556 17491.0875 0.0000 0.0000 34247.4891 -149428.1693 299.0918 -183675.6584 -149321.2271 299.1269 -208.8051 -173.4160 557319.7807 -0.3001 -0.0775 PRESSURE: 1318600 -117.683 45.326 -30.9357 45.3266 -61.136 65.3685 -30.9345 65.3686 -21.0147 GPRESSURE: 1318600 -48.745 44.2627 -9.9864 85.4142 -65.5693 61.3614 10.4611 102.542 4.90476 PRESSAVG: 1318600 0.0638621 1.1474 -1.03389 1.14745 37.7185 -45.5419 -1.03391 -45.5419 -21.6148 GPRESSAVG: 1318600 0.807428 0.601177 -1.09404 0.630942 38.2038 -45.3836 0.211636 -44.9703 -22.8298 TIMING: 1318600 CPU: 3822.31, 0.00287337/step Wall: 3822.31, 0.00287337/step, 2.93834 hours remaining, 209.617188 MB of memory in use. ENERGY: 1318600 720.3522 2056.9743 1900.1439 103.6421 -206242.1349 17693.3859 0.0000 0.0000 34387.2672 -149380.3692 300.3126 -183767.6364 -149278.8978 299.0279 -66.6111 -36.4699 557403.5810 5.3892 5.3938 PRESSURE: 1318800 -58.4642 -179.622 -20.0187 -179.622 -162.544 -69.3241 -20.0199 -69.3257 -221.504 GPRESSURE: 1318800 -1.84704 -117.784 -46.854 -255.704 -181.991 -135.868 -44.2841 -39.1736 -166.077 PRESSAVG: 1318800 -17.5953 -21.3339 6.71143 -21.334 -13.1407 -51.2832 6.71133 -51.2832 -2.86686 GPRESSAVG: 1318800 -18.2381 -21.5652 5.21604 -21.2466 -12.7674 -49.7814 5.97496 -51.7059 -2.56511 TIMING: 1318800 CPU: 3822.89, 0.00289966/step Wall: 3822.89, 0.00289966/step, 2.96506 hours remaining, 209.617188 MB of memory in use. ENERGY: 1318800 771.8672 2089.2775 1919.3006 105.1843 -206314.8986 17684.5169 0.0000 0.0000 34280.4894 -149464.2626 299.3800 -183744.7521 -149377.2830 299.3927 -147.5040 -116.6382 557367.6287 -11.2009 -11.1902 PRESSURE: 1319000 130.951 40.7149 13.998 40.714 -115.211 -155.416 13.9987 -155.415 -147.468 GPRESSURE: 1319000 117.286 106.886 -51.8725 86.6252 -32.6263 -163.575 90.3718 -145.852 -115.751 PRESSAVG: 1319000 -22.4846 11.5412 -20.3076 11.5411 9.62759 -18.0993 -20.3076 -18.0993 -2.28679 GPRESSAVG: 1319000 -20.5778 10.6879 -17.532 13.4551 8.07745 -19.8871 -21.3377 -18.7274 -2.46155 TIMING: 1319000 CPU: 3823.47, 0.00291522/step Wall: 3823.47, 0.00291522/step, 2.98081 hours remaining, 209.617188 MB of memory in use. ENERGY: 1319000 750.0498 2073.3141 1917.5508 123.1223 -206189.6674 17721.3788 0.0000 0.0000 34060.6219 -149543.6297 297.4599 -183604.2516 -149442.3957 298.7729 -43.9091 -10.3637 555674.2190 -5.0479 -4.9873 PRESSURE: 1319200 137.982 84.019 -66.3628 84.0185 16.981 -4.31535 -66.3615 -4.31511 -188.351 GPRESSURE: 1319200 105.884 117.054 -21.6243 -16.8008 78.4155 -44.1642 -118.46 -44.665 -123.558 PRESSAVG: 1319200 -33.5062 -8.1763 -10.2203 -8.17623 91.5387 -47.6038 -10.2203 -47.6038 -57.5322 GPRESSAVG: 1319200 -34.5983 -9.60477 -11.4199 -7.93924 92.2723 -46.2258 -9.65669 -47.8691 -57.5221 TIMING: 1319200 CPU: 3824.05, 0.00291627/step Wall: 3824.05, 0.00291626/step, 2.98172 hours remaining, 209.617188 MB of memory in use. ENERGY: 1319200 712.7784 2016.2922 1930.8233 109.4813 -206508.0290 17984.3611 0.0000 0.0000 34309.1350 -149445.1577 299.6302 -183754.2927 -149338.1183 298.8775 -11.1296 20.2471 557550.9471 0.1668 0.0506 PRESSURE: 1319400 88.8953 -50.1167 -125.093 -50.1152 -310.017 -112.845 -125.093 -112.846 36.9905 GPRESSURE: 1319400 102.589 -47.1099 -160.342 -65.2093 -295.913 -188.347 -134.261 -56.0219 105.341 PRESSAVG: 1319400 6.76472 -28.3979 3.07478 -28.3979 18.4873 -47.9784 3.07475 -47.9785 -6.02622 GPRESSAVG: 1319400 7.59398 -25.9311 1.57086 -28.9175 17.2945 -49.248 3.77281 -47.5849 -5.89803 TIMING: 1319400 CPU: 3824.63, 0.0028945/step Wall: 3824.63, 0.0028945/step, 2.9593 hours remaining, 209.617188 MB of memory in use. ENERGY: 1319400 761.1291 2151.7801 1927.3878 114.1339 -206350.8213 17814.9773 0.0000 0.0000 34185.1290 -149396.2842 298.5472 -183581.4132 -149296.4561 298.9295 -61.3771 -29.3277 556232.4881 6.4086 6.3302 PRESSURE: 1319600 -62.9496 17.0361 27.3554 17.0374 101.971 -72.6113 27.3554 -72.611 42.8407 GPRESSURE: 1319600 -13.4302 -91.7474 101.133 46.139 135.948 -15.3467 37.0583 -60.2539 64.4743 PRESSAVG: 1319600 -7.14434 7.48118 8.50854 7.48118 2.66707 -37.5751 8.50851 -37.5751 4.30517 GPRESSAVG: 1319600 -8.46321 7.22112 8.5978 5.70162 3.44218 -35.8081 8.35601 -38.8287 4.68338 TIMING: 1319600 CPU: 3825.21, 0.00288481/step Wall: 3825.21, 0.00288481/step, 2.94923 hours remaining, 209.753906 MB of memory in use. ENERGY: 1319600 739.1478 2071.4323 1934.2282 108.1548 -206209.4824 17932.2923 0.0000 0.0000 34018.2243 -149406.0026 297.0896 -183424.2269 -149302.4250 299.3393 27.2873 62.3307 557584.8444 -0.0574 -0.1126 PRESSURE: 1319800 -84.5944 -42.7454 18.0274 -42.746 151.78 -146.538 18.028 -146.538 259.401 GPRESSURE: 1319800 -3.54747 -97.6822 -16.1629 -60.6065 157.274 -127.64 -0.917464 -135.803 281.451 PRESSAVG: 1319800 -43.6503 8.31227 -1.43738 8.31229 12.9455 -31.9256 -1.43745 -31.9256 23.8198 GPRESSAVG: 1319800 -44.3133 8.92603 0.0873151 9.96588 14.1371 -31.4016 -1.51781 -32.3726 23.5449 TIMING: 1319800 CPU: 3825.79, 0.00287945/step Wall: 3825.79, 0.00287945/step, 2.9436 hours remaining, 209.753906 MB of memory in use. ENERGY: 1319800 736.7714 2092.1324 1907.0971 109.2493 -206485.8044 17954.4013 0.0000 0.0000 34137.6191 -149548.5337 298.1323 -183686.1529 -149458.1531 298.2973 108.8622 145.0594 556447.5863 -2.2950 -2.2105 PRESSURE: 1320000 -102.53 62.2421 36.0737 62.2423 -34.3421 -149.84 36.0749 -149.839 221.03 GPRESSURE: 1320000 -21.6279 116.162 62.3896 42.1762 10.6973 -113.416 -2.79641 -174.162 203.668 PRESSAVG: 1320000 -48.5975 -47.3611 -30.5417 -47.3611 23.0083 57.4964 -30.5417 57.4964 28.0985 GPRESSAVG: 1320000 -47.6134 -47.0668 -30.6346 -48.9876 21.8192 55.4422 -31.7456 59.1577 28.4034 TIMING: 1320000 CPU: 3826.36, 0.00286714/step Wall: 3826.36, 0.00286714/step, 2.93086 hours remaining, 209.753906 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: 1320000 742.5552 2117.2572 1930.1997 118.3757 -206528.9088 17978.4689 0.0000 0.0000 34043.1835 -149598.8686 297.3076 -183642.0521 -149497.0925 297.5375 28.0527 64.2457 557986.2968 0.8364 0.8698 PRESSURE: 1320200 98.8267 12.4272 -46.5505 12.4279 379.68 2.86471 -46.55 2.86618 -52.3627 GPRESSURE: 1320200 77.7093 -75.0024 -56.6745 8.64229 402.573 -23.099 -30.0148 4.16038 35.6361 PRESSAVG: 1320200 -26.042 -6.3065 30.2062 -6.30644 30.6853 -14.028 30.2063 -14.028 1.71044 GPRESSAVG: 1320200 -26.2498 -5.03942 27.7419 -5.93663 30.6498 -13.15 32.4522 -12.0977 2.12289 TIMING: 1320200 CPU: 3826.93, 0.00286078/step Wall: 3826.93, 0.00286078/step, 2.9242 hours remaining, 209.753906 MB of memory in use. ENERGY: 1320200 749.0008 2038.2133 1949.7508 121.1669 -206812.5440 18151.5136 0.0000 0.0000 34086.8756 -149716.0230 297.6892 -183802.8986 -149620.8175 297.8239 142.0481 171.9727 557350.1436 2.1179 2.1743 LDB: ============= START OF LOAD BALANCING ============== 3830.32 LDB: ============== END OF LOAD BALANCING =============== 3830.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3830.32 LDB: ============= START OF LOAD BALANCING ============== 3830.61 LDB: Largest compute 4822 load 0.025969 is 22.0% of average load 0.118108 LDB: Average compute 0.001719 is 1.5% of average load 0.118108 LDB: TIME 3830.61 LOAD: AVG 0.118108 MAX 0.182519 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.23 MB LDB: TIME 3830.61 LOAD: AVG 0.118108 MAX 0.182519 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 3830.61 LOAD: AVG 0.118108 MAX 0.182519 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: ============== END OF LOAD BALANCING =============== 3830.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3830.61 PRESSURE: 1320400 -26.0882 -74.8535 -189.441 -74.8541 123.293 8.78277 -189.442 8.7832 78.2784 GPRESSURE: 1320400 16.1054 41.2711 -179.094 -87.1862 161.807 -12.1938 -150.407 72.4636 105.604 PRESSAVG: 1320400 2.08887 -1.48537 3.01743 -1.48525 12.2131 6.30914 3.01745 6.30915 -36.7909 GPRESSAVG: 1320400 1.01551 -1.89804 2.83235 -0.699385 11.6667 4.97968 1.61175 3.96448 -35.8086 TIMING: 1320400 CPU: 3827.52, 0.00293271/step Wall: 3827.52, 0.00293271/step, 2.99755 hours remaining, 207.230469 MB of memory in use. ENERGY: 1320400 709.0193 2092.6679 1906.1308 109.7238 -206574.8221 18005.7464 0.0000 0.0000 34196.9100 -149554.6239 298.6501 -183751.5339 -149460.3526 297.4652 58.4945 94.5053 557134.9787 -7.4963 -7.7088 PRESSURE: 1320600 146.969 -16.4829 17.9158 -16.4834 242.459 61.7282 17.9168 61.7293 -10.9324 GPRESSURE: 1320600 133.819 -5.21597 0.0616296 10.9229 308.759 -3.63252 -39.6354 110.274 30.1398 PRESSAVG: 1320600 -8.51636 30.3116 -27.3004 30.3114 59.586 -0.391794 -27.3004 -0.391801 -33.9006 GPRESSAVG: 1320600 -8.13634 29.5789 -25.4358 32.5279 61.5202 0.76085 -28.5873 0.767435 -36.4201 TIMING: 1320600 CPU: 3828.09, 0.00286852/step Wall: 3828.09, 0.00286852/step, 2.93179 hours remaining, 207.230469 MB of memory in use. ENERGY: 1320600 762.9103 2067.3488 1882.6385 106.2357 -206425.6581 17968.5579 0.0000 0.0000 34182.5169 -149455.4499 298.5244 -183637.9668 -149349.7644 299.2688 126.1653 157.5727 556325.8518 5.7230 5.6546 PRESSURE: 1320800 -7.93832 68.3097 -18.2293 68.3093 -173.25 -2.87764 -18.228 -2.8784 -18.2554 GPRESSURE: 1320800 -20.2376 76.8442 -39.4205 43.3746 -105.458 17.1354 -44.4356 -8.09451 30.0884 PRESSAVG: 1320800 62.8686 2.98305 -60.3945 2.98309 13.7364 32.705 -60.3945 32.7049 -14.8115 GPRESSAVG: 1320800 62.4631 3.79457 -60.8441 0.991756 13.4045 33.1486 -59.668 32.6918 -13.8226 TIMING: 1320800 CPU: 3828.67, 0.00287144/step Wall: 3828.67, 0.00287144/step, 2.93461 hours remaining, 207.230469 MB of memory in use. ENERGY: 1320800 759.7244 2111.8148 1916.4042 111.1034 -206426.6277 17717.9906 0.0000 0.0000 34268.9012 -149540.6892 299.2788 -183809.5904 -149447.9091 299.0286 -66.4813 -31.8691 555916.1189 20.5978 20.6817 PRESSURE: 1321000 -197 -124.046 248.786 -124.047 -126.808 115.817 248.786 115.818 24.9601 GPRESSURE: 1321000 -131.271 -56.0252 207.513 -135.245 -92.6824 100.913 282.762 79.3947 33.7175 PRESSAVG: 1321000 -63.0916 18.227 -20.4931 18.227 -30.2753 -15.1555 -20.4931 -15.1555 86.2251 GPRESSAVG: 1321000 -63.8607 18.6176 -20.9899 19.0217 -30.0923 -15.3626 -20.2506 -16.1268 86.8073 TIMING: 1321000 CPU: 3829.25, 0.00289541/step Wall: 3829.25, 0.00289541/step, 2.95895 hours remaining, 207.230469 MB of memory in use. ENERGY: 1321000 766.7041 2108.4088 1928.9017 115.2865 -206468.6886 17784.5220 0.0000 0.0000 34189.6857 -149575.1799 298.5870 -183764.8656 -149475.5103 298.5158 -99.6158 -63.4121 558726.7320 -2.3806 -2.3819 PRESSURE: 1321200 161.962 89.6601 -11.0854 89.6599 74.0858 88.3405 -11.085 88.3399 311.867 GPRESSURE: 1321200 198.285 126.211 53.2861 109.647 94.9788 118.228 22.9646 93.3918 346.725 PRESSAVG: 1321200 20.1772 -17.8051 45.7179 -17.8051 -0.907853 -1.31802 45.7179 -1.31793 -38.7658 GPRESSAVG: 1321200 20.0638 -17.5569 46.6916 -17.4141 -2.6823 0.238987 43.9968 -0.658871 -37.3114 TIMING: 1321200 CPU: 3829.83, 0.00291983/step Wall: 3829.83, 0.00291983/step, 2.98374 hours remaining, 207.285156 MB of memory in use. ENERGY: 1321200 783.1433 2053.3552 1947.1479 108.2009 -206865.5033 18154.9783 0.0000 0.0000 34240.1724 -149578.5051 299.0279 -183818.6776 -149481.7897 297.8635 182.6381 213.3294 558198.7522 -6.4988 -6.6433 PRESSURE: 1321400 -212.198 51.4482 -143.776 51.4486 70.2576 -190.138 -143.776 -190.139 -302.905 GPRESSURE: 1321400 -155.92 91.3666 -143.537 111.919 78.3475 -66.9181 -218.453 -225.183 -272.747 PRESSAVG: 1321400 -14.1661 -65.6256 -27.189 -65.6256 -10.9919 -66.4524 -27.189 -66.4524 61.2086 GPRESSAVG: 1321400 -12.7664 -67.9893 -26.8388 -64.7038 -10.8371 -66.9697 -26.3783 -68.0168 59.8904 TIMING: 1321400 CPU: 3830.41, 0.00292316/step Wall: 3830.41, 0.00292316/step, 2.98698 hours remaining, 207.285156 MB of memory in use. ENERGY: 1321400 733.1239 2053.5229 1939.0238 108.3124 -206354.3374 17680.9163 0.0000 0.0000 34329.8355 -149509.6026 299.8110 -183839.4380 -149403.0136 298.8572 -148.2820 -116.7730 558308.9789 12.0169 12.0956 PRESSURE: 1321600 42.3368 -98.7455 32.9185 -98.7442 378.445 -2.81747 32.9183 -2.81817 -4.95074 GPRESSURE: 1321600 133.565 -1.90497 83.0331 -119.932 363.33 2.23881 -29.7829 -0.295 18.29 PRESSAVG: 1321600 -52.8018 16.7196 -20.4433 16.7196 44.7803 -67.9432 -20.4433 -67.9432 -0.839398 GPRESSAVG: 1321600 -52.4878 19.0327 -21.8031 15.5198 44.1524 -69.8374 -20.2192 -65.5333 -0.818765 TIMING: 1321600 CPU: 3830.99, 0.00289947/step Wall: 3830.99, 0.00289947/step, 2.96261 hours remaining, 207.285156 MB of memory in use. ENERGY: 1321600 740.0184 2086.5852 1928.3065 111.8736 -206544.5430 18155.6524 0.0000 0.0000 34009.9747 -149512.1323 297.0176 -183522.1070 -149414.6663 297.5617 138.6103 171.7284 558491.7934 -2.9536 -3.0514 PRESSURE: 1321800 130.141 -52.2937 79.0113 -52.2929 -110.81 -53.5732 79.0124 -53.5736 96.4827 GPRESSURE: 1321800 155.254 13.2027 127.042 -148.345 -37.602 -52.274 73.8938 -40.6056 91.7949 PRESSAVG: 1321800 37.2988 -21.2212 2.01119 -21.2211 8.41092 -13.2242 2.01117 -13.2241 -18.8709 GPRESSAVG: 1321800 36.231 -22.0561 2.36537 -21.0159 8.84742 -13.0822 4.2726 -13.7216 -18.6111 TIMING: 1321800 CPU: 3831.57, 0.00288323/step Wall: 3831.57, 0.00288323/step, 2.94586 hours remaining, 207.285156 MB of memory in use. ENERGY: 1321800 741.8126 2078.3339 1927.3140 112.9785 -206728.5573 17959.7502 0.0000 0.0000 34499.9053 -149408.4629 301.2963 -183908.3682 -149314.2607 298.7609 38.6046 69.8156 556075.8085 8.9463 8.8224 PRESSURE: 1322000 165.41 -81.0009 -73.4959 -81.0014 123.934 266.095 -73.4952 266.095 38.2173 GPRESSURE: 1322000 187.716 -124.138 -105 -50.523 199.342 262.252 -60.4434 324.522 25.2006 PRESSAVG: 1322000 65.2808 -40.9021 20.651 -40.9021 12.9732 83.2273 20.6509 83.2273 -38.1879 GPRESSAVG: 1322000 65.6003 -40.1298 20.9523 -41.2443 13.4427 85.0591 20.2359 83.2252 -39.1122 TIMING: 1322000 CPU: 3832.15, 0.002915/step Wall: 3832.15, 0.002915/step, 2.97816 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1322000 762.8956 2073.1252 1935.9820 110.9606 -206559.3456 17967.3464 0.0000 0.0000 34440.4752 -149268.5605 300.7772 -183709.0357 -149176.7566 299.3331 109.1871 137.4195 556348.5763 13.3554 13.3103 PRESSURE: 1322200 2.77704 103.345 -87.0262 103.346 198.498 -121.506 -87.0259 -121.507 8.52896 GPRESSURE: 1322200 89.6538 136.988 -57.1939 47.1499 248.107 -118.572 -174.999 -176.08 -22.7614 PRESSAVG: 1322200 -6.04174 -43.8329 10.4459 -43.833 26.7215 82.9028 10.4458 82.9027 -19.6379 GPRESSAVG: 1322200 -6.638 -44.7468 10.8023 -44.5373 26.7977 81.6272 10.7596 80.2647 -19.2129 TIMING: 1322200 CPU: 3832.74, 0.00291272/step Wall: 3832.74, 0.00291272/step, 2.97567 hours remaining, 207.285156 MB of memory in use. ENERGY: 1322200 767.2526 2111.9046 1920.5370 106.3407 -206518.4877 17947.8156 0.0000 0.0000 34387.8838 -149276.7533 300.3179 -183664.6371 -149187.3969 299.6518 69.9347 104.9997 555969.3291 0.3473 0.3156 PRESSURE: 1322400 227.731 -155.114 98.9295 -155.115 68.8008 9.33885 98.9287 9.34115 -66.598 GPRESSURE: 1322400 267.118 -175.596 137.616 -162.83 94.3008 14.1117 89.2774 54.9429 -45.8571 PRESSAVG: 1322400 -21.2062 -20.2346 67.5352 -20.2346 -7.2998 -12.8491 67.5351 -12.8491 12.7956 GPRESSAVG: 1322400 -20.2171 -23.3562 68.1114 -19.7174 -8.79546 -12.201 64.5678 -9.94844 13.6657 TIMING: 1322400 CPU: 3833.32, 0.00290057/step Wall: 3833.32, 0.00290057/step, 2.96309 hours remaining, 207.285156 MB of memory in use. ENERGY: 1322400 753.9043 2037.1627 1937.9277 111.2317 -206059.9248 17790.7742 0.0000 0.0000 34112.5575 -149316.3667 297.9134 -183428.9242 -149225.3319 299.2616 76.6445 105.1874 556677.4111 -5.2368 -5.1156 PRESSURE: 1322600 175.457 45.98 93.0087 45.9798 -56.8584 -30.6725 93.0087 -30.6712 49.8387 GPRESSURE: 1322600 184.098 -4.24924 120.27 -45.1871 -18.6951 -58.1281 127.766 -28.2236 113.869 PRESSAVG: 1322600 118.393 3.23499 -1.36421 3.2349 -91.5596 23.6 -1.36417 23.6001 -13.9017 GPRESSAVG: 1322600 117.905 3.91309 -0.725884 3.87299 -91.1719 24.0015 -1.60123 23.1919 -14.812 TIMING: 1322600 CPU: 3833.9, 0.00289739/step Wall: 3833.9, 0.00289739/step, 2.95969 hours remaining, 207.285156 MB of memory in use. ENERGY: 1322600 745.0219 2082.1078 1938.5586 108.5597 -206159.5725 17830.5894 0.0000 0.0000 34160.6245 -149294.1105 298.3332 -183454.7350 -149200.6002 298.7482 56.1456 93.0906 556813.9477 4.3107 3.9738 PRESSURE: 1322800 -313.082 190.357 197.682 190.356 -4.42543 -169.616 197.683 -169.616 9.17134 GPRESSURE: 1322800 -248.451 247.425 153.779 110.954 -13.8506 -97.6391 197.954 -192.232 48.4992 PRESSAVG: 1322800 -43.4188 3.0841 111.92 3.0841 5.99567 30.8324 111.92 30.8323 28.8331 GPRESSAVG: 1322800 -42.5098 3.18098 110.264 1.52887 4.68469 31.0409 112.616 31.1621 29.0971 TIMING: 1322800 CPU: 3834.48, 0.00291404/step Wall: 3834.48, 0.00291404/step, 2.97653 hours remaining, 207.285156 MB of memory in use. ENERGY: 1322800 759.9269 2059.9557 1923.4817 117.3059 -206043.2125 17796.5434 0.0000 0.0000 34098.7958 -149287.2030 297.7933 -183385.9988 -149188.1162 298.5637 -102.7788 -71.2673 558497.2096 -2.8633 -2.9093 PRESSURE: 1323000 222.175 86.9101 83.2316 86.9105 61.2271 -65.1906 83.2316 -65.1896 -275.933 GPRESSURE: 1323000 262.114 66.4887 112.958 40.9839 107.708 -192.677 59.5238 -9.66847 -270.99 PRESSAVG: 1323000 18.767 4.64317 33.8032 4.64325 1.03106 9.94526 33.8031 9.94541 -51.6353 GPRESSAVG: 1323000 17.9071 5.69833 33.8441 6.76005 1.54491 7.22477 34.5232 10.8969 -51.4582 TIMING: 1323000 CPU: 3835.06, 0.00292153/step Wall: 3835.06, 0.00292153/step, 2.98401 hours remaining, 207.285156 MB of memory in use. ENERGY: 1323000 743.3691 2083.5445 1922.9218 116.3536 -206024.5883 17667.1238 0.0000 0.0000 34262.4812 -149228.7941 299.2228 -183491.2754 -149135.4323 298.8531 2.4898 32.9442 558003.0217 -10.6124 -10.6687 PRESSURE: 1323200 134.436 21.7339 -68.4992 21.7326 19.8746 53.1087 -68.4985 53.1109 -155.481 GPRESSURE: 1323200 166.501 6.3661 -22.8649 -30.6711 97.9895 35.7985 -37.2647 66.2886 -159.379 PRESSAVG: 1323200 47.1066 38.1524 -2.71307 38.1523 -5.09657 62.1479 -2.71313 62.1478 -77.0203 GPRESSAVG: 1323200 46.9085 37.4531 -2.44671 35.9932 -4.28572 63.2791 -3.83854 61.3493 -77.7361 TIMING: 1323200 CPU: 3835.64, 0.00289724/step Wall: 3835.64, 0.00289724/step, 2.95905 hours remaining, 207.285156 MB of memory in use. ENERGY: 1323200 706.6712 2067.1517 1951.8427 106.5978 -205757.5238 17605.8215 0.0000 0.0000 34082.7973 -149236.6415 297.6535 -183319.4388 -149151.6926 298.4574 -0.3901 35.0371 558301.2998 -11.6701 -11.7044 PRESSURE: 1323400 -31.9589 -119.35 -25.3639 -119.349 -17.8166 -36.5057 -25.3653 -36.5067 246.348 GPRESSURE: 1323400 20.3076 -128.958 32.8861 -105.145 -30.3525 -46.9615 -66.6016 3.66089 302.102 PRESSAVG: 1323400 21.7086 -16.1066 -15.6804 -16.1066 -49.2876 12.0049 -15.6805 12.0049 32.6023 GPRESSAVG: 1323400 21.4617 -12.5899 -15.1751 -15.8552 -48.9804 10.9967 -15.6027 11.6656 32.4139 TIMING: 1323400 CPU: 3836.22, 0.00290624/step Wall: 3836.22, 0.00290624/step, 2.96808 hours remaining, 207.285156 MB of memory in use. ENERGY: 1323400 725.8851 2045.6084 1928.7592 123.1140 -206249.0873 17842.2696 0.0000 0.0000 34421.5673 -149161.8838 300.6121 -183583.4511 -149066.5934 298.8731 65.5242 97.3523 557521.1880 1.6744 1.6317 PRESSURE: 1323600 112.461 28.3784 36.1088 28.3769 525.645 -43.5128 36.1076 -43.5121 -125.488 GPRESSURE: 1323600 178.828 37.8785 93.3163 93.1444 507.243 -57.8415 -10.3207 -85.6747 -88.4395 PRESSAVG: 1323600 52.9889 -5.83583 5.59718 -5.83589 15.9578 33.2891 5.59708 33.2891 -19.2266 GPRESSAVG: 1323600 52.1402 -9.33102 3.5228 -5.08019 16.311 34.8617 7.40497 32.7148 -18.4162 TIMING: 1323600 CPU: 3836.8, 0.00290166/step Wall: 3836.8, 0.00290166/step, 2.96324 hours remaining, 207.285156 MB of memory in use. ENERGY: 1323600 750.3952 2109.0467 1931.5445 108.0159 -206008.2468 18025.0291 0.0000 0.0000 34329.4362 -148754.7792 299.8075 -183084.2155 -148653.8374 300.2583 170.8727 199.2104 557636.4296 16.5734 16.6784 PRESSURE: 1323800 -138.627 12.3027 47.5202 12.3024 39.4065 189.052 47.5195 189.051 317.548 GPRESSURE: 1323800 -72.7243 107.151 42.8843 -27.7921 59.8188 202.735 -7.11096 142.374 335.259 PRESSAVG: 1323800 14.6077 -42.6027 30.4337 -42.6027 29.4062 -20.0941 30.4338 -20.0941 -36.9539 GPRESSAVG: 1323800 15.5153 -41.177 30.7975 -42.1573 28.8603 -19.4275 28.5429 -20.1259 -37.6132 TIMING: 1323800 CPU: 3837.38, 0.0028676/step Wall: 3837.38, 0.0028676/step, 2.9283 hours remaining, 207.285156 MB of memory in use. ENERGY: 1323800 729.6560 2047.0572 1945.7917 114.1905 -206105.9217 17862.6349 0.0000 0.0000 34481.3633 -148925.2281 301.1343 -183406.5914 -148816.6159 300.7303 72.7758 107.4513 558485.8823 2.3533 2.2541 PRESSURE: 1324000 -218.669 124.161 90.5738 124.161 71.4395 78.4993 90.5734 78.4979 -121.721 GPRESSURE: 1324000 -119.812 141.979 136.891 78.1239 55.1336 30.4101 38.8791 134.222 -111.361 PRESSAVG: 1324000 35.8178 16.5866 42.9524 16.5867 3.4025 28.7547 42.9522 28.7548 -42.8638 GPRESSAVG: 1324000 34.9971 15.3924 44.5271 16.9182 3.67233 26.5333 42.9231 28.0541 -42.444 TIMING: 1324000 CPU: 3837.96, 0.00289735/step Wall: 3837.96, 0.00289735/step, 2.95851 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1324000 743.3162 2056.9886 1937.8256 121.4916 -205568.1381 17492.5651 0.0000 0.0000 34211.6155 -149004.3354 298.7785 -183215.9509 -148904.1794 299.4884 -89.6503 -58.6795 558824.4099 -1.2145 -1.2582 PRESSURE: 1324200 52.6386 -0.999874 49.3394 -0.99957 -11.8522 -21.9622 49.3388 -21.9621 -72.1421 GPRESSURE: 1324200 84.8567 -44.0626 165.852 -43.8252 4.48136 19.1068 36.4981 -4.03666 -19.3808 PRESSAVG: 1324200 4.28638 26.6083 59.1199 26.6083 -57.9672 37.4015 59.1197 37.4016 4.33588 GPRESSAVG: 1324200 4.66271 27.2967 57.9512 27.0153 -58.6263 40.7966 59.2334 37.599 4.65308 TIMING: 1324200 CPU: 3838.54, 0.00289826/step Wall: 3838.54, 0.00289826/step, 2.95928 hours remaining, 207.285156 MB of memory in use. ENERGY: 1324200 733.4989 2114.1356 1931.7999 108.0000 -206128.4445 17813.0173 0.0000 0.0000 34482.7482 -148945.2446 301.1464 -183427.9928 -148849.0977 300.0422 -10.4519 23.3191 558065.2036 -16.4483 -16.4368 LDB: ============= START OF LOAD BALANCING ============== 3841.92 LDB: ============== END OF LOAD BALANCING =============== 3841.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3841.93 LDB: ============= START OF LOAD BALANCING ============== 3842.22 LDB: Largest compute 4822 load 0.025439 is 21.6% of average load 0.117964 LDB: Average compute 0.001717 is 1.5% of average load 0.117964 LDB: TIME 3842.22 LOAD: AVG 0.117964 MAX 0.183299 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.699 MB LDB: TIME 3842.22 LOAD: AVG 0.117964 MAX 0.183299 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.703 MB LDB: TIME 3842.22 LOAD: AVG 0.117964 MAX 0.183299 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.703 MB LDB: ============== END OF LOAD BALANCING =============== 3842.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3842.22 PRESSURE: 1324400 -41.0348 189.792 193.487 189.792 -178.444 -60.8065 193.487 -60.8062 -140.992 GPRESSURE: 1324400 -26.0996 82.2036 170.11 233.04 -129.235 -80.2409 200.187 -67.877 -110.431 PRESSAVG: 1324400 -54.0911 -4.62359 15.5524 -4.62364 39.6355 -36.9653 15.5524 -36.9653 9.98586 GPRESSAVG: 1324400 -54.4277 -4.57604 14.8108 -4.31847 39.3289 -39.3809 16.1177 -36.6312 10.8514 TIMING: 1324400 CPU: 3839.13, 0.00295788/step Wall: 3839.13, 0.00295788/step, 3.01999 hours remaining, 207.699219 MB of memory in use. ENERGY: 1324400 746.6734 2092.7267 1937.5799 125.2576 -205892.2993 17607.3576 0.0000 0.0000 34430.0843 -148952.6198 300.6865 -183382.7041 -148847.0823 299.8839 -120.1569 -88.5883 558673.8527 -1.4899 -1.4158 PRESSURE: 1324600 31.1969 142.179 57.7775 142.18 -143.767 -164.568 57.7772 -164.568 35.3515 GPRESSURE: 1324600 46.2995 128.252 44.1296 112.139 -105.878 -133.193 12.4874 -118.122 86.5461 PRESSAVG: 1324600 -32.0582 -20.5402 80.4488 -20.5401 -3.7188 -26.0929 80.4488 -26.0927 21.9468 GPRESSAVG: 1324600 -30.3055 -19.9688 81.4211 -20.8475 -3.92832 -24.9853 78.2099 -26.9719 20.6887 TIMING: 1324600 CPU: 3839.71, 0.00289707/step Wall: 3839.71, 0.00289707/step, 2.95775 hours remaining, 207.699219 MB of memory in use. ENERGY: 1324600 741.7975 2112.5216 1923.4360 113.5877 -206127.5806 17806.4693 0.0000 0.0000 34459.1326 -148970.6359 300.9402 -183429.7685 -148878.2784 299.4080 -25.7395 8.9892 557687.5230 -4.6101 -4.5151 PRESSURE: 1324800 182.863 87.0793 -76.1949 87.0794 148.899 -125.008 -76.195 -125.005 82.2995 GPRESSURE: 1324800 182.127 119.56 -42.2223 35.5178 192.314 -114.437 -153.325 -178.719 126.304 PRESSAVG: 1324800 -36.1955 5.47854 11.0352 5.47855 47.79 -76.0933 11.035 -76.0932 37.8824 GPRESSAVG: 1324800 -37.5985 5.01741 13.1276 4.11878 49.2153 -77.7542 11.544 -74.5146 38.2138 TIMING: 1324800 CPU: 3840.28, 0.00287122/step Wall: 3840.28, 0.00287122/step, 2.9312 hours remaining, 207.699219 MB of memory in use. ENERGY: 1324800 709.3660 2063.8662 1922.6693 108.0005 -206278.2794 18043.3026 0.0000 0.0000 34359.1765 -149071.8984 300.0672 -183431.0749 -148962.9928 299.5364 138.0204 166.9151 558848.4291 16.4923 16.6102 PRESSURE: 1325000 94.4569 -26.6016 60.971 -26.6018 -175.154 108.639 60.9704 108.639 -116.22 GPRESSURE: 1325000 86.4871 -16.2292 158.353 23.975 -98.3939 111.783 -15.9188 116.825 -81.1779 PRESSAVG: 1325000 27.4677 12.9638 6.94365 12.9638 -6.4343 -34.4908 6.94357 -34.4908 -28.8455 GPRESSAVG: 1325000 27.3466 13.6683 5.50373 14.3509 -7.38984 -31.4428 6.59051 -36.7607 -28.4596 TIMING: 1325000 CPU: 3840.86, 0.0028752/step Wall: 3840.86, 0.0028752/step, 2.9351 hours remaining, 207.699219 MB of memory in use. ENERGY: 1325000 764.4976 2037.4358 1925.4610 112.8739 -205911.0694 17710.1704 0.0000 0.0000 34387.9761 -148972.6546 300.3187 -183360.6307 -148878.8460 299.2820 -65.6388 -31.0283 559138.1914 -2.6040 -2.8343 PRESSURE: 1325200 20.6931 -93.6702 -117.823 -93.6704 -283.079 -28.401 -117.823 -28.4008 -19.3297 GPRESSURE: 1325200 33.3686 -26.6808 -82.8003 -46.17 -244.979 -47.0684 -119.436 -1.99245 28.0931 PRESSAVG: 1325200 40.7472 -3.11116 -45.5739 -3.11116 14.4362 30.5648 -45.5738 30.565 -88.6608 GPRESSAVG: 1325200 40.1026 -4.07198 -45.905 -3.81616 15.1246 28.2868 -46.3318 32.4227 -88.8065 TIMING: 1325200 CPU: 3841.43, 0.00287657/step Wall: 3841.43, 0.00287657/step, 2.93634 hours remaining, 207.699219 MB of memory in use. ENERGY: 1325200 729.3742 2088.7161 1935.2458 103.1516 -205642.3886 17655.2129 0.0000 0.0000 33996.9291 -149133.7589 296.9036 -183130.6881 -149030.8796 299.3600 -93.9052 -61.1724 560723.7572 -11.1591 -11.1931 PRESSURE: 1325400 160.509 61.5511 57.5404 61.5505 -80.6192 -86.5792 57.5398 -86.5797 142.642 GPRESSURE: 1325400 185.607 92.4074 3.44431 152.629 -22.233 -113.067 95.9974 -127.608 148.28 PRESSAVG: 1325400 30.4481 17.3858 35.9202 17.3857 -19.6234 2.58291 35.9203 2.58293 -46.4193 GPRESSAVG: 1325400 31.3771 18.1941 35.7574 17.1003 -20.6615 1.84951 38.6086 2.59519 -46.311 TIMING: 1325400 CPU: 3842.02, 0.0029166/step Wall: 3842.02, 0.0029166/step, 2.97704 hours remaining, 207.699219 MB of memory in use. ENERGY: 1325400 743.8200 2083.7056 1935.6749 109.6432 -206303.8487 18006.8629 0.0000 0.0000 34456.1113 -148968.0308 300.9138 -183424.1421 -148869.5750 299.1324 74.1773 103.8846 558093.9693 -11.8648 -11.8652 PRESSURE: 1325600 377.407 129.19 110.908 129.191 -21.4502 110.494 110.909 110.494 -64.2077 GPRESSURE: 1325600 348.687 72.059 39.6972 118.052 77.2646 96.6801 85.0713 136.697 -39.9611 PRESSAVG: 1325600 45.3813 21.2979 -18.4406 21.298 -56.9453 -81.3446 -18.4406 -81.3446 3.03031 GPRESSAVG: 1325600 44.9148 21.1388 -17.7603 21.5455 -56.5705 -80.6821 -20.2921 -82.6384 2.62672 TIMING: 1325600 CPU: 3842.59, 0.00288933/step Wall: 3842.59, 0.00288933/step, 2.94905 hours remaining, 207.699219 MB of memory in use. ENERGY: 1325600 732.2201 2084.7022 1937.2725 123.9494 -206203.9745 18095.1142 0.0000 0.0000 34339.8809 -148890.8352 299.8987 -183230.7161 -148799.4883 299.9525 97.2496 128.6637 558272.2573 -2.8446 -3.0097 PRESSURE: 1325800 206.502 -1.20983 45.7951 -1.20906 36.6542 -92.1353 45.7954 -92.1348 29.3644 GPRESSURE: 1325800 310.111 33.7558 23.9043 -27.7543 50.2253 -66.486 111.672 -150.696 4.98371 PRESSAVG: 1325800 80.972 -31.3413 -1.37898 -31.3414 -3.30071 -18.8072 -1.3789 -18.8071 -46.6818 GPRESSAVG: 1325800 79.8938 -32.365 -3.23604 -31.8655 -3.65129 -18.5894 0.872578 -20.5691 -45.7002 TIMING: 1325800 CPU: 3843.17, 0.0028829/step Wall: 3843.17, 0.0028829/step, 2.94232 hours remaining, 207.699219 MB of memory in use. ENERGY: 1325800 811.1757 2179.0304 1934.4187 109.0623 -205878.5122 17837.9609 0.0000 0.0000 34172.2758 -148834.5885 298.4350 -183006.8642 -148733.2543 299.9383 90.8402 121.7735 557582.4356 10.3298 10.1808 PRESSURE: 1326000 -134.481 -206.815 -2.11885 -206.814 -110.989 -48.3932 -2.11842 -48.3924 123.873 GPRESSURE: 1326000 -131.983 -166.321 -3.12273 -298.493 -45.3336 -92.7487 21.9671 55.6658 138.209 PRESSAVG: 1326000 1.56677 -62.021 -4.54844 -62.021 29.7263 49.5632 -4.54836 49.5632 -32.9278 GPRESSAVG: 1326000 1.98645 -63.4092 -3.79269 -59.44 29.0969 50.5171 -5.50113 52.0325 -33.262 TIMING: 1326000 CPU: 3843.74, 0.0028695/step Wall: 3843.74, 0.0028695/step, 2.92848 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1326000 766.2776 2121.9442 1974.8170 112.3870 -206171.0956 17784.3780 0.0000 0.0000 34353.8379 -149057.4539 300.0206 -183411.2918 -148961.9855 300.5014 -40.5323 -13.0359 557400.0159 -0.5449 -0.7262 PRESSURE: 1326200 138.697 -52.1268 62.416 -52.1269 56.5735 22.8527 62.4159 22.8538 180.204 GPRESSURE: 1326200 227.628 -136.692 88.359 -57.7798 47.6041 -4.22047 100.074 20.9245 205.536 PRESSAVG: 1326200 55.3309 -38.8705 0.452386 -38.8705 -44.576 26.1818 0.452317 26.1817 39.774 GPRESSAVG: 1326200 56.1122 -37.7986 1.15318 -41.5462 -43.5057 24.7406 -0.53409 26.2982 37.6253 TIMING: 1326200 CPU: 3844.32, 0.00288303/step Wall: 3844.32, 0.00288303/step, 2.94214 hours remaining, 207.699219 MB of memory in use. ENERGY: 1326200 747.1119 2141.3413 1936.4715 118.1025 -205971.8721 17895.4899 0.0000 0.0000 34311.7487 -148821.6062 299.6530 -183133.3549 -148730.3196 300.0860 125.1582 160.2561 556774.8216 16.8430 16.7439 PRESSURE: 1326400 -322.985 -21.5319 36.7341 -21.5312 -40.4232 267.472 36.7335 267.471 34.2586 GPRESSURE: 1326400 -278.941 35.9631 89.3418 3.46662 20.1095 285.569 28.4146 184.09 28.6845 PRESSAVG: 1326400 -89.6403 12.6524 -51.09 12.6524 32.8376 48.606 -51.0901 48.6061 90.3707 GPRESSAVG: 1326400 -89.5358 13.1185 -52.0761 12.9547 31.4516 49.2711 -49.5542 47.7282 92.0846 TIMING: 1326400 CPU: 3844.9, 0.00290339/step Wall: 3844.9, 0.00290339/step, 2.96274 hours remaining, 207.699219 MB of memory in use. ENERGY: 1326400 771.3773 2154.8111 1922.6276 109.4294 -206144.6364 17801.9215 0.0000 0.0000 34437.5597 -148946.9098 300.7518 -183384.4695 -148852.0508 299.6344 -109.7164 -76.7156 558641.7082 11.1893 11.3335 PRESSURE: 1326600 -195.685 -1.506 -149.337 -1.50661 -226.936 80.5115 -149.336 80.5125 -102.421 GPRESSURE: 1326600 -71.3244 19.732 -162.569 84.3123 -217.392 2.33224 -169.832 96.3801 -141.057 PRESSAVG: 1326600 0.793982 28.4534 -46.9526 28.4534 12.1433 80.5027 -46.9527 80.5027 8.70251 GPRESSAVG: 1326600 1.39661 28.9355 -48.2148 29.6278 12.3178 79.7947 -46.6367 80.8402 8.30843 TIMING: 1326600 CPU: 3845.48, 0.0028946/step Wall: 3845.48, 0.0028946/step, 2.95362 hours remaining, 207.699219 MB of memory in use. ENERGY: 1326600 707.8319 2132.4765 1931.4099 109.6194 -205739.5627 17513.3058 0.0000 0.0000 34265.8546 -149079.0645 299.2522 -183344.9192 -148985.0700 299.8829 -175.0138 -143.2576 559451.3143 7.2133 7.3410 PRESSURE: 1326800 31.6439 -82.67 -32.1275 -82.6704 -233.469 62.3965 -32.1272 62.396 -179.708 GPRESSURE: 1326800 36.5276 -35.5653 -48.9995 -15.639 -187.769 99.5277 62.1441 38.5348 -150.727 PRESSAVG: 1326800 47.017 -23.4805 -1.51728 -23.4805 27.2908 1.2981 -1.51727 1.29795 -48.1099 GPRESSAVG: 1326800 45.3956 -20.5665 -0.52032 -24.4993 27.9324 1.87282 -2.46341 -0.95044 -46.834 TIMING: 1326800 CPU: 3846.06, 0.00290938/step Wall: 3846.06, 0.00290938/step, 2.96854 hours remaining, 207.699219 MB of memory in use. ENERGY: 1326800 763.6246 2106.8808 1928.0373 105.8439 -205748.0657 17638.5826 0.0000 0.0000 34299.9408 -148905.1557 299.5499 -183205.0965 -148812.3946 300.2435 -127.1776 -100.6563 558549.9552 8.7326 8.8313 PRESSURE: 1327000 -54.0232 -91.7556 13.7648 -91.7555 42.8758 12.3425 13.7651 12.344 16.6422 GPRESSURE: 1327000 3.19827 -131.244 23.0787 -57.9453 98.8683 32.8696 57.4248 26.4501 9.9696 PRESSAVG: 1327000 40.3224 29.9476 -33.1192 29.9476 -1.77553 -57.2039 -33.1191 -57.2039 -13.3583 GPRESSAVG: 1327000 41.4581 26.6434 -32.7462 31.859 -0.813869 -57.1987 -32.0871 -54.8465 -15.0597 TIMING: 1327000 CPU: 3846.64, 0.00288289/step Wall: 3846.64, 0.00288289/step, 2.94135 hours remaining, 207.699219 MB of memory in use. ENERGY: 1327000 753.6714 2079.3551 1912.1224 108.9038 -205759.2305 17771.6769 0.0000 0.0000 34402.7715 -148730.7295 300.4480 -183133.5009 -148641.9158 300.2350 1.8316 37.3454 558198.4209 8.3962 8.5282 PRESSURE: 1327200 -198.168 208.55 200.462 208.55 -33.6993 7.38076 200.462 7.38004 -169.466 GPRESSURE: 1327200 -222.419 306.171 129.943 209.02 21.7405 0.556421 208.077 44.6095 -102.454 PRESSAVG: 1327200 9.17097 24.4602 4.34569 24.4601 1.40217 -26.4598 4.34566 -26.4599 -21.1805 GPRESSAVG: 1327200 8.32268 22.5002 3.77863 23.4847 1.50329 -27.6343 4.03644 -26.5587 -20.8752 TIMING: 1327200 CPU: 3847.22, 0.00288487/step Wall: 3847.22, 0.00288487/step, 2.94321 hours remaining, 207.699219 MB of memory in use. ENERGY: 1327200 741.7053 2084.2005 1958.8253 108.9388 -205752.7626 17617.6402 0.0000 0.0000 34517.1116 -148724.3408 301.4465 -183241.4524 -148632.5887 300.6225 -133.7777 -101.0442 558430.4057 -3.5358 -3.6831 PRESSURE: 1327400 232.31 -44.5724 -110.959 -44.5731 157.867 -121.856 -110.958 -121.855 -99.9517 GPRESSURE: 1327400 272.89 -41.1061 -30.5231 -81.8501 171.158 -62.4553 -190.785 -83.1555 -48.9165 PRESSAVG: 1327400 53.1861 -28.0609 -41.6923 -28.061 4.62794 15.0324 -41.6923 15.0324 -82.0391 GPRESSAVG: 1327400 53.6113 -25.6807 -41.5292 -30.4622 4.84407 16.5603 -41.0642 13.609 -83.0971 TIMING: 1327400 CPU: 3847.79, 0.00288338/step Wall: 3847.79, 0.00288338/step, 2.94153 hours remaining, 207.699219 MB of memory in use. ENERGY: 1327400 741.6440 2091.8019 1941.2107 110.2065 -205825.9835 17782.8356 0.0000 0.0000 34485.8947 -148672.3900 301.1739 -183158.2847 -148581.1795 299.9641 96.7416 131.7106 557482.9167 -8.0750 -8.2139 PRESSURE: 1327600 394.407 84.6048 -89.0923 84.6044 260.131 -175.136 -89.0921 -175.136 268.373 GPRESSURE: 1327600 420.252 98.8269 -30.7102 45.2147 284.305 -110.279 -72.6964 -209.849 321.067 PRESSAVG: 1327600 7.13756 -17.1496 -53.9724 -17.1497 -5.70227 46.1213 -53.9723 46.1213 7.60295 GPRESSAVG: 1327600 6.90177 -16.7401 -52.4716 -15.6449 -6.22101 45.6345 -55.615 47.1507 8.76953 TIMING: 1327600 CPU: 3848.37, 0.00288771/step Wall: 3848.37, 0.00288771/step, 2.94579 hours remaining, 207.699219 MB of memory in use. ENERGY: 1327600 748.9553 2067.1317 1942.5417 107.6292 -206106.5737 18159.5269 0.0000 0.0000 34523.6362 -148557.1528 301.5035 -183080.7890 -148461.7001 301.2610 307.6373 341.8747 557622.8426 3.0127 3.1501 PRESSURE: 1327800 -51.3369 3.00364 121.377 3.00399 146.774 157.904 121.376 157.903 164.244 GPRESSURE: 1327800 -8.94449 -27.5972 158.715 -23.4974 213.158 56.9606 9.25274 253.874 148.527 PRESSAVG: 1327800 86.121 -45.0552 -40.8503 -45.0552 -60.943 3.71949 -40.8503 3.7196 -21.8155 GPRESSAVG: 1327800 85.8778 -46.0623 -40.9712 -44.4176 -59.5826 3.55281 -39.9583 2.94385 -22.8895 TIMING: 1327800 CPU: 3848.95, 0.0028956/step Wall: 3848.95, 0.0028956/step, 2.95367 hours remaining, 207.699219 MB of memory in use. ENERGY: 1327800 734.4773 2100.7278 1975.1545 120.6235 -206258.6625 17945.1592 0.0000 0.0000 34575.9529 -148806.5672 301.9604 -183382.5201 -148711.4153 300.8764 86.5605 117.5803 557738.5678 1.1208 1.1352 PRESSURE: 1328000 63.886 98.4646 -117.852 98.4641 55.1283 -146.917 -117.852 -146.917 239.661 GPRESSURE: 1328000 122.427 -18.8484 -62.2346 154.124 40.1764 -119.355 -123.272 -181.52 287.208 PRESSAVG: 1328000 48.7841 -35.1027 -19.8849 -35.1028 16.6371 51.4934 -19.8848 51.4934 -86.8577 GPRESSAVG: 1328000 49.5044 -32.2629 -19.7295 -37.7593 14.9968 50.8394 -20.2098 53.7265 -85.5195 TIMING: 1328000 CPU: 3849.52, 0.00286668/step Wall: 3849.52, 0.00286668/step, 2.92402 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1328000 705.7137 2132.9487 1935.1097 102.0746 -206075.5892 17791.1933 0.0000 0.0000 34486.9260 -148921.6232 301.1829 -183408.5492 -148824.0375 300.0929 119.5583 149.9370 556903.9504 -7.1455 -7.0061 PRESSURE: 1328200 -151.572 -12.5489 -13.4025 -12.5486 -556.413 90.1682 -13.4019 90.1684 -228.271 GPRESSURE: 1328200 -119.22 20.7918 18.6189 28.8557 -524.113 96.8023 -14.7559 89.3607 -210.29 PRESSAVG: 1328200 21.8748 46.3083 -48.4754 46.3083 6.43609 10.8091 -48.4755 10.8091 -37.983 GPRESSAVG: 1328200 22.5385 41.6866 -47.6242 47.1509 7.29757 12.8899 -49.7334 10.4471 -39.1113 TIMING: 1328200 CPU: 3850.1, 0.00288522/step Wall: 3850.1, 0.00288522/step, 2.94276 hours remaining, 207.699219 MB of memory in use. ENERGY: 1328200 771.6290 2131.2020 1917.1412 105.2807 -205786.6342 17503.4079 0.0000 0.0000 34587.6427 -148770.3307 302.0625 -183357.9734 -148671.1080 300.4149 -312.0852 -284.5412 559205.5383 -3.2240 -3.0917 LDB: ============= START OF LOAD BALANCING ============== 3853.48 LDB: ============== END OF LOAD BALANCING =============== 3853.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3853.49 LDB: ============= START OF LOAD BALANCING ============== 3853.77 LDB: Largest compute 4822 load 0.025434 is 21.6% of average load 0.117968 LDB: Average compute 0.001713 is 1.5% of average load 0.117968 LDB: TIME 3853.78 LOAD: AVG 0.117968 MAX 0.18316 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.242 MB LDB: TIME 3853.78 LOAD: AVG 0.117968 MAX 0.18316 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.312 MB LDB: TIME 3853.78 LOAD: AVG 0.117968 MAX 0.18316 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3853.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3853.78 PRESSURE: 1328400 46.4944 -16.457 -11.3497 -16.4558 -114.19 56.3098 -11.3505 56.3097 -164.053 GPRESSURE: 1328400 73.4205 59.8662 -58.3539 -121.238 -79.3028 80.6554 -27.6636 78.9591 -123.856 PRESSAVG: 1328400 71.6196 -15.6757 1.65151 -15.6756 -5.25559 25.8197 1.65146 25.8198 -57.8819 GPRESSAVG: 1328400 70.6029 -13.3628 0.0396239 -16.5183 -5.40837 23.4024 4.15276 24.8556 -56.953 TIMING: 1328400 CPU: 3850.69, 0.00294083/step Wall: 3850.69, 0.00294083/step, 2.99932 hours remaining, 208.460938 MB of memory in use. ENERGY: 1328400 755.6077 2097.4863 1947.3694 123.7541 -205681.0654 17661.0224 0.0000 0.0000 34334.1371 -148761.6885 299.8486 -183095.8255 -148661.6028 300.4488 -77.2498 -43.2462 557941.9329 2.8274 2.7472 PRESSURE: 1328600 -116.159 32.8813 -80.5426 32.8813 139.432 33.1019 -80.5433 33.1016 -69.2235 GPRESSURE: 1328600 -97.6243 33.9064 -49.354 75.7123 192.312 33.1215 -132.89 83.4025 -52.4325 PRESSAVG: 1328600 24.5212 29.5376 24.7931 29.5375 -3.75325 37.1917 24.7931 37.1917 -14.2477 GPRESSAVG: 1328600 25.1922 31.4507 24.7455 31.6775 -4.44508 39.6078 24.7683 37.1104 -14.178 TIMING: 1328600 CPU: 3851.26, 0.00287897/step Wall: 3851.26, 0.00287897/step, 2.93607 hours remaining, 208.460938 MB of memory in use. ENERGY: 1328600 736.1947 2082.4874 1937.2173 114.6200 -205785.3353 17818.2438 0.0000 0.0000 34070.8004 -149025.7717 297.5488 -183096.5721 -148929.1447 299.9180 -15.3169 14.0850 558176.7951 2.1734 2.1897 PRESSURE: 1328800 24.4022 -75.211 148.232 -75.2116 10.7892 118.3 148.233 118.298 108.859 GPRESSURE: 1328800 61.6156 -123.082 81.4957 -95.3819 79.5689 83.4913 170.644 83.2619 100.245 PRESSAVG: 1328800 26.048 27.8271 -42.6637 27.8271 0.528296 -4.80778 -42.6637 -4.80784 20.5722 GPRESSAVG: 1328800 24.9243 27.5937 -42.6376 27.439 1.36281 -6.43098 -43.3854 -4.62471 21.0871 TIMING: 1328800 CPU: 3851.84, 0.00289732/step Wall: 3851.84, 0.00289732/step, 2.95462 hours remaining, 208.460938 MB of memory in use. ENERGY: 1328800 761.8068 2117.8235 1964.2837 107.0878 -206055.7052 17931.2635 0.0000 0.0000 34186.4381 -148987.0019 298.5587 -183173.4400 -148899.6566 299.6757 48.0169 80.4766 559368.2666 15.7162 15.7914 PRESSURE: 1329000 4.31175 -148.567 56.8678 -148.566 148.72 -121.98 56.8672 -121.98 96.364 GPRESSURE: 1329000 40.8951 -115.19 124.723 -155.663 183.497 -38.8892 41.8875 -132.023 125.568 PRESSAVG: 1329000 15.5694 25.7224 -15.0426 25.7223 -44.6512 32.459 -15.0427 32.459 28.393 GPRESSAVG: 1329000 15.7758 24.8223 -16.1952 25.4711 -44.9583 33.6307 -16.2086 33.8143 28.8777 TIMING: 1329000 CPU: 3852.42, 0.00288086/step Wall: 3852.42, 0.00288086/step, 2.93767 hours remaining, 208.460938 MB of memory in use. ENERGY: 1329000 713.0341 2079.7593 1918.7836 103.4068 -206224.4553 17891.3935 0.0000 0.0000 34178.2273 -149339.8507 298.4870 -183518.0780 -149243.6387 299.3243 83.1320 116.6536 556703.7832 -0.2296 -0.1016 PRESSURE: 1329200 31.0791 -27.6799 93.5755 -27.6799 -267.026 6.28549 93.5764 6.28691 -16.5784 GPRESSURE: 1329200 70.8638 -47.4261 144.65 -38.502 -259.669 -62.3985 43.2421 103.002 25.1406 PRESSAVG: 1329200 29.9475 -26.5836 4.32952 -26.5836 -0.40061 15.7382 4.32963 15.7383 -36.0394 GPRESSAVG: 1329200 31.4296 -28.0491 4.84775 -25.8916 0.474977 16.4495 5.95881 15.1418 -38.6051 TIMING: 1329200 CPU: 3853, 0.00289073/step Wall: 3853, 0.00289073/step, 2.94758 hours remaining, 208.460938 MB of memory in use. ENERGY: 1329200 751.3374 2078.6095 1949.4780 101.9775 -205759.4699 17496.2166 0.0000 0.0000 33920.4409 -149461.4100 296.2356 -183381.8510 -149370.8908 297.9590 -84.1751 -54.5548 557000.2314 -2.1642 -2.2335 PRESSURE: 1329400 172.17 115.038 -11.9894 115.037 -92.1414 45.5999 -11.9895 45.5993 -146.073 GPRESSURE: 1329400 200.641 82.3255 -12.3301 120.894 -104.453 126.809 -18.6166 59.5536 -79.2883 PRESSAVG: 1329400 57.419 12.0114 26.3797 12.0114 12.9531 -8.82241 26.3797 -8.82254 -12.2854 GPRESSAVG: 1329400 57.3687 13.0243 27.6658 13.039 12.0074 -9.37293 26.1277 -7.91889 -11.1019 TIMING: 1329400 CPU: 3853.57, 0.00288008/step Wall: 3853.57, 0.00288008/step, 2.93656 hours remaining, 208.460938 MB of memory in use. ENERGY: 1329400 734.0875 2084.1795 1960.0540 123.0269 -206268.1965 17818.5285 0.0000 0.0000 34297.0605 -149251.2595 299.5248 -183548.3201 -149159.9809 298.2210 -22.0148 5.6333 557608.9607 19.3623 19.4247 PRESSURE: 1329600 -243.858 25.6424 -139.303 25.6418 -160.16 -41.3231 -139.303 -41.3235 -136.291 GPRESSURE: 1329600 -195.396 87.2137 -60.5244 -41.1321 -157.508 -33.0834 -174.641 46.4047 -88.6586 PRESSAVG: 1329600 40.1153 -20.0462 -12.0209 -20.0462 -66.9023 -27.8607 -12.021 -27.8607 37.9081 GPRESSAVG: 1329600 39.0497 -19.3756 -12.9907 -23.1453 -66.0263 -28.0585 -12.5475 -28.7366 37.8238 TIMING: 1329600 CPU: 3854.15, 0.00288482/step Wall: 3854.15, 0.00288482/step, 2.94124 hours remaining, 208.460938 MB of memory in use. ENERGY: 1329600 744.8656 2059.4033 1931.7715 115.1129 -205754.3020 17668.8177 0.0000 0.0000 34180.7623 -149053.5687 298.5091 -183234.3309 -148954.0560 299.6028 -180.1030 -147.1874 560253.4687 3.7071 3.6158 PRESSURE: 1329800 -4.77869 -9.63538 12.9744 -9.63482 35.9757 18.2841 12.9746 18.2836 79.0478 GPRESSURE: 1329800 37.4479 -5.84456 14.3517 8.15448 104.263 11.698 -26.6952 -33.2725 68.2619 PRESSAVG: 1329800 -15.842 -9.01033 26.3548 -9.01032 -21.3421 -33.5137 26.3547 -33.5137 25.3875 GPRESSAVG: 1329800 -14.7333 -10.6947 26.5562 -8.14865 -21.687 -35.0099 25.9398 -33.3423 25.2555 TIMING: 1329800 CPU: 3854.73, 0.0028832/step Wall: 3854.73, 0.0028832/step, 2.93942 hours remaining, 208.460938 MB of memory in use. ENERGY: 1329800 704.2829 2052.7110 1929.3606 121.7152 -205986.9004 17741.7967 0.0000 0.0000 34271.3069 -149165.7271 299.2998 -183437.0340 -149065.3964 299.6559 36.7483 69.9911 556912.4465 -3.9322 -3.7216 PRESSURE: 1330000 -218.655 -72.3043 -107.919 -72.3047 -90.9313 -2.04399 -107.92 -2.04325 -15.8732 GPRESSURE: 1330000 -140.095 -122.087 -152.659 52.0767 -81.2629 -53.1012 -132.223 -37.2115 -6.16167 PRESSAVG: 1330000 63.751 18.6769 32.6326 18.677 -18.1976 -44.1267 32.6326 -44.1268 -13.516 GPRESSAVG: 1330000 64.518 18.4386 32.7079 20.1523 -18.0528 -43.3841 32.5093 -44.0876 -14.3275 TIMING: 1330000 CPU: 3855.31, 0.00289817/step Wall: 3855.31, 0.00289817/step, 2.95452 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1330000 791.3246 2045.4873 1918.1015 105.6149 -205791.5529 17645.4799 0.0000 0.0000 34194.2784 -149091.2663 298.6271 -183285.5446 -149002.0309 300.1387 -108.4865 -75.8400 558351.1791 10.6791 10.7125 PRESSURE: 1330200 -214.791 -63.4589 -63.8892 -63.459 87.7528 134.207 -63.8897 134.207 215.878 GPRESSURE: 1330200 -152.607 -87.0344 -78.04 7.11277 177.413 13.6321 -15.5049 143.731 163.088 PRESSAVG: 1330200 -24.9471 -0.836318 16.827 -0.83637 43.7556 36.4417 16.8269 36.4417 -20.2435 GPRESSAVG: 1330200 -25.6536 0.357637 13.0763 -3.08334 43.1018 37.1001 20.514 36.3053 -19.3536 TIMING: 1330200 CPU: 3855.89, 0.00289765/step Wall: 3855.89, 0.00289765/step, 2.95383 hours remaining, 208.460938 MB of memory in use. ENERGY: 1330200 766.6814 2096.3525 1931.0424 120.1709 -206314.0881 17966.8097 0.0000 0.0000 34285.2739 -149147.7574 299.4218 -183433.0312 -149049.4767 299.4463 29.6133 62.6314 558244.5658 -0.4783 -0.6351 PRESSURE: 1330400 -9.82072 182.298 -34.4969 182.298 172.395 -45.53 -34.4986 -45.5291 -199.68 GPRESSURE: 1330400 49.8238 81.1617 -33.285 208.352 158.165 -52.0979 -96.972 -36.1942 -148.075 PRESSAVG: 1330400 -93.4449 1.68419 0.273248 1.68426 77.5346 33.6481 0.273217 33.6482 38.1741 GPRESSAVG: 1330400 -94.6306 0.981223 1.53938 3.55056 77.6406 32.9126 -2.47365 35.0248 38.5755 TIMING: 1330400 CPU: 3856.46, 0.00288452/step Wall: 3856.46, 0.00288452/step, 2.94028 hours remaining, 208.460938 MB of memory in use. ENERGY: 1330400 742.8088 2082.0042 1914.6261 109.6240 -205884.7104 17755.5710 0.0000 0.0000 34017.3877 -149262.6887 297.0823 -183280.0764 -149165.7376 298.9503 -12.3685 19.9711 557904.6515 7.4213 7.1952 PRESSURE: 1330600 3.33696 83.1972 -78.0502 83.1965 -63.4625 -115.501 -78.0514 -115.499 28.4097 GPRESSURE: 1330600 20.8321 59.5671 -37.3368 16.1219 17.5693 -116.331 -89.748 -144.739 43.4148 PRESSAVG: 1330600 60.93 -18.5944 -15.2265 -18.5943 -64.0235 40.2038 -15.2265 40.2038 -3.1798 GPRESSAVG: 1330600 61.7905 -17.9998 -13.6953 -18.5838 -65.2953 39.7451 -15.7782 39.3063 -2.34459 TIMING: 1330600 CPU: 3857.04, 0.00289363/step Wall: 3857.04, 0.00289363/step, 2.94942 hours remaining, 208.460938 MB of memory in use. ENERGY: 1330600 770.3723 2118.4495 1957.0230 123.4359 -206501.0379 18014.0906 0.0000 0.0000 34232.4351 -149285.2315 298.9604 -183517.6666 -149187.7084 298.3362 -10.5719 27.2721 557530.1935 -2.0911 -1.9498 PRESSURE: 1330800 -216.118 -52.2129 61.0987 -52.2126 95.6887 25.9153 61.099 25.9135 13.172 GPRESSURE: 1330800 -170.062 -118.455 -1.47311 113.5 111.475 32.6701 65.6387 99.7818 55.9345 PRESSAVG: 1330800 22.9779 55.7086 68.7071 55.7087 9.02475 -34.3083 68.7072 -34.3082 -11.635 GPRESSAVG: 1330800 22.7882 56.2994 69.4377 56.2616 10.2006 -33.8948 66.6686 -32.9537 -12.2483 TIMING: 1330800 CPU: 3857.62, 0.00289282/step Wall: 3857.62, 0.00289282/step, 2.94843 hours remaining, 208.460938 MB of memory in use. ENERGY: 1330800 732.2669 2114.5016 1941.0798 108.0161 -206172.9591 17805.4835 0.0000 0.0000 34064.6536 -149406.9576 297.4951 -183471.6112 -149308.0190 298.6761 -35.7526 -0.8841 558877.0566 6.7892 6.9135 PRESSURE: 1331000 -231.705 -22.6284 -41.6117 -22.6279 -207.868 108.354 -41.6117 108.351 -184.011 GPRESSURE: 1331000 -230.509 61.7413 -71.0005 -68.7432 -156.049 154.123 -62.0844 80.7694 -142.582 PRESSAVG: 1331000 52.8374 -2.14945 60.3336 -2.14941 -51.8384 7.52542 60.3337 7.52534 -24.2173 GPRESSAVG: 1331000 53.4625 -0.79459 60.7184 -4.95816 -51.499 6.7947 63.3238 6.77425 -24.9737 TIMING: 1331000 CPU: 3858.2, 0.00289093/step Wall: 3858.2, 0.00289093/step, 2.94634 hours remaining, 208.460938 MB of memory in use. ENERGY: 1331000 726.0514 2168.2301 1934.0704 107.0557 -205983.5244 17408.9259 0.0000 0.0000 34464.2814 -149174.9094 300.9851 -183639.1909 -149080.4336 299.4540 -207.8611 -176.3801 558743.8596 -7.7394 -7.6701 PRESSURE: 1331200 260.313 -55.1886 -193.171 -55.1872 43.918 180.614 -193.172 180.615 1.53701 GPRESSURE: 1331200 325.986 -69.901 -269.54 -94.3283 27.1643 129.186 -151.449 105.412 54.2472 PRESSAVG: 1331200 -56.0421 2.39434 27.7352 2.39441 5.20768 26.2197 27.7351 26.2197 18.4972 GPRESSAVG: 1331200 -56.0243 0.750166 26.9664 4.2127 5.1813 26.3654 28.1488 26.1355 18.7889 TIMING: 1331200 CPU: 3858.78, 0.00289529/step Wall: 3858.78, 0.00289529/step, 2.95062 hours remaining, 208.460938 MB of memory in use. ENERGY: 1331200 753.6491 2040.0740 1951.9626 108.1066 -206231.2045 18056.2213 0.0000 0.0000 34171.3778 -149149.8131 298.4271 -183321.1908 -149048.7908 299.1106 101.9228 135.7993 557926.0973 -10.7790 -10.6847 PRESSURE: 1331400 70.0835 -167.035 169.654 -167.035 -150.528 -55.1989 169.655 -55.198 -249.676 GPRESSURE: 1331400 47.3775 -182.139 217.387 -204.921 -116.988 -27.9366 86.7213 -112.212 -175.522 PRESSAVG: 1331400 29.7954 0.0681109 5.36073 0.0680434 47.87 11.5393 5.36072 11.5394 -60.2881 GPRESSAVG: 1331400 28.7199 1.64985 6.013 -1.49996 48.098 12.2438 5.63497 12.0065 -59.7606 TIMING: 1331400 CPU: 3859.36, 0.00289678/step Wall: 3859.36, 0.00289678/step, 2.95198 hours remaining, 208.460938 MB of memory in use. ENERGY: 1331400 715.6718 2093.3826 1942.5589 116.7013 -206237.5225 17782.3417 0.0000 0.0000 34266.0235 -149320.8428 299.2537 -183586.8663 -149225.9776 299.0614 -110.0402 -81.7109 558208.6960 5.7925 5.6858 PRESSURE: 1331600 213.033 113.477 57.6779 113.478 -23.3091 183.532 57.6787 183.532 355.5 GPRESSURE: 1331600 226.523 122.811 142.692 55.1525 -26.2095 217.909 0.992854 161.604 437.201 PRESSAVG: 1331600 8.88416 -0.20806 19.1989 -0.207974 -88.3044 59.9343 19.1988 59.9343 64.9404 GPRESSAVG: 1331600 9.81165 -2.40038 16.2861 1.38812 -88.3845 58.0951 19.2284 60.4858 63.8768 TIMING: 1331600 CPU: 3859.93, 0.00287295/step Wall: 3859.93, 0.00287295/step, 2.92754 hours remaining, 208.460938 MB of memory in use. ENERGY: 1331600 738.2183 2066.3950 1933.5268 105.5819 -206373.5714 18117.9716 0.0000 0.0000 34359.0384 -149052.8394 300.0660 -183411.8778 -148950.7682 299.3303 181.7413 212.5052 558333.1298 -4.8266 -4.8987 PRESSURE: 1331800 138.585 29.2662 19.3595 29.2642 -29.3476 -57.7264 19.3586 -57.7257 54.7353 GPRESSURE: 1331800 185.351 63.2854 37.1345 -9.70941 20.5497 -108.257 49.6478 3.22998 51.776 PRESSAVG: 1331800 31.795 51.9957 17.6182 51.9957 -48.0154 7.71353 17.6181 7.71354 -2.57648 GPRESSAVG: 1331800 32.2274 53.4398 21.3765 51.2885 -48.4335 8.46874 15.9068 9.38531 -2.38874 TIMING: 1331800 CPU: 3860.51, 0.00289081/step Wall: 3860.51, 0.00289081/step, 2.94557 hours remaining, 208.460938 MB of memory in use. ENERGY: 1331800 734.5126 2123.5215 1948.0462 116.8562 -205822.8909 17695.1068 0.0000 0.0000 34141.8267 -149063.0209 298.1691 -183204.8476 -148967.4666 299.8416 54.6576 85.8924 557761.3881 -6.2656 -6.1983 PRESSURE: 1332000 -163.368 -36.3223 12.3811 -36.3217 -147.277 -37.9284 12.3819 -37.9293 -162.679 GPRESSURE: 1332000 -168.931 -5.68091 75.5415 -46.8557 -96.8242 -39.131 -49.549 -49.0974 -109.738 PRESSAVG: 1332000 -14.6093 -9.22675 -4.64418 -9.22688 10.5234 -3.82517 -4.64408 -3.82509 -2.78879 GPRESSAVG: 1332000 -15.1756 -10.497 -5.1999 -8.48618 10.3087 -3.52433 -6.2527 -5.73994 -1.36315 TIMING: 1332000 CPU: 3861.09, 0.00289326/step Wall: 3861.09, 0.00289326/step, 2.94792 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1332000 756.9164 2079.0642 1973.7115 121.9530 -205616.5726 17549.8169 0.0000 0.0000 34274.2955 -148860.8152 299.3259 -183135.1107 -148769.0505 299.1600 -157.7748 -125.1643 559321.9747 -2.2915 -2.0767 PRESSURE: 1332200 110.311 -146.286 -83.8648 -146.285 -20.1681 -112.664 -83.866 -112.665 11.3659 GPRESSURE: 1332200 91.6169 3.61004 -71.0568 -273.039 41.2325 -105.127 -105.34 -57.4475 61.8025 PRESSAVG: 1332200 -11.7996 6.93058 16.7662 6.9305 3.78014 -93.7849 16.7661 -93.7847 -24.3218 GPRESSAVG: 1332200 -11.9262 8.28324 16.1627 6.07935 5.36065 -94.5921 18.2496 -93.1691 -25.3643 TIMING: 1332200 CPU: 3861.67, 0.00290944/step Wall: 3861.67, 0.00290944/step, 2.96423 hours remaining, 208.460938 MB of memory in use. ENERGY: 1332200 738.2639 2123.8119 1946.4149 120.5088 -205996.9175 17814.3747 0.0000 0.0000 34424.2288 -148829.3146 300.6354 -183253.5434 -148736.6298 299.7175 33.8362 64.8840 559354.9324 -10.7804 -10.6433 LDB: ============= START OF LOAD BALANCING ============== 3865.06 LDB: ============== END OF LOAD BALANCING =============== 3865.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3865.06 LDB: ============= START OF LOAD BALANCING ============== 3865.35 LDB: Largest compute 4822 load 0.027408 is 23.2% of average load 0.117915 LDB: Average compute 0.001713 is 1.5% of average load 0.117915 LDB: TIME 3865.35 LOAD: AVG 0.117915 MAX 0.183246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 3865.35 LOAD: AVG 0.117915 MAX 0.183246 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.223 MB LDB: TIME 3865.35 LOAD: AVG 0.117915 MAX 0.183246 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3865.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3865.36 PRESSURE: 1332400 137.652 60.783 82.2173 60.7833 -80.5525 88.4647 82.2179 88.4668 -174.939 GPRESSURE: 1332400 208.894 14.5244 61.1476 70.1218 -67.7184 94.1107 90.8001 91.5316 -151.815 PRESSAVG: 1332400 14.2077 2.3184 -57.4154 2.31841 -52.1938 -38.4452 -57.4153 -38.4453 -29.8787 GPRESSAVG: 1332400 14.8924 1.79644 -58.1399 2.48479 -53.9709 -38.7149 -57.9821 -37.0925 -28.8297 TIMING: 1332400 CPU: 3862.26, 0.00294809/step Wall: 3862.26, 0.00294809/step, 3.00345 hours remaining, 210.984375 MB of memory in use. ENERGY: 1332400 736.4647 2095.1552 1945.4751 111.5826 -206417.4261 17918.9318 0.0000 0.0000 34463.7114 -149146.1053 300.9802 -183609.8167 -149047.8706 299.8292 -39.2798 -3.5467 559061.1279 -22.6216 -22.6361 PRESSURE: 1332600 -216.579 -12.4985 80.057 -12.4973 1.14332 -1.64534 80.0557 -1.64512 29.6523 GPRESSURE: 1332600 -177.211 -16.0918 149.268 -6.17019 33.1312 85.38 56.0294 61.5571 30.3728 PRESSAVG: 1332600 -21.558 -51.5457 -22.9418 -51.5456 -34.7861 9.32295 -22.9418 9.32301 17.5708 GPRESSAVG: 1332600 -22.1814 -50.3312 -23.9956 -50.5004 -33.6462 9.8613 -21.3726 8.15672 16.6493 TIMING: 1332600 CPU: 3862.84, 0.00291511/step Wall: 3862.84, 0.00291511/step, 2.96968 hours remaining, 210.984375 MB of memory in use. ENERGY: 1332600 788.7984 2074.5755 1946.3388 113.6068 -206249.7506 17778.7780 0.0000 0.0000 34361.4806 -149186.1726 300.0874 -183547.6531 -149083.4737 298.7336 -61.9278 -37.9023 557363.3393 -12.9244 -13.0594 PRESSURE: 1332800 239.453 93.318 -31.2898 93.3178 -53.1408 -88.9742 -31.2894 -88.9757 -328.272 GPRESSURE: 1332800 288.914 30.4957 -72.8727 88.8565 -37.6034 -19.7473 21.168 -90.5162 -290.432 PRESSAVG: 1332800 -22.0311 29.1276 -19.8589 29.1276 43.1087 58.7311 -19.8589 58.731 43.5154 GPRESSAVG: 1332800 -20.9921 27.3744 -18.3052 29.7859 42.7547 59.998 -21.8075 56.7825 42.6495 TIMING: 1332800 CPU: 3863.43, 0.00292243/step Wall: 3863.43, 0.00292243/step, 2.97698 hours remaining, 210.984375 MB of memory in use. ENERGY: 1332800 769.1138 2109.6427 1934.0515 117.1284 -206319.2201 17796.1247 0.0000 0.0000 34368.1149 -149225.0440 300.1453 -183593.1589 -149121.0656 299.1762 -47.3199 -13.0405 557173.0557 21.5310 21.4707 PRESSURE: 1333000 -115.755 -115.812 -106.866 -115.813 97.7258 129.919 -106.866 129.919 195.848 GPRESSURE: 1333000 -72.9824 -88.5337 -19.8345 -91.7854 98.8424 153.407 2.9877 173.957 253.192 PRESSAVG: 1333000 -40.7437 -25.609 37.2739 -25.6089 -26.5612 -1.45927 37.2739 -1.45933 39.137 GPRESSAVG: 1333000 -41.9303 -26.8266 35.539 -24.8858 -25.0451 -2.91783 38.9088 0.386724 39.5174 TIMING: 1333000 CPU: 3864.01, 0.00293943/step Wall: 3864.01, 0.00293943/step, 2.99414 hours remaining, 210.984375 MB of memory in use. ENERGY: 1333000 760.6837 2158.3524 1915.5277 127.3798 -206210.0330 17888.1945 0.0000 0.0000 34324.3809 -149035.5138 299.7634 -183359.8947 -148941.7440 299.9436 59.2730 93.0174 557396.0280 -9.3893 -9.1527 PRESSURE: 1333200 -87.7532 -96.0484 59.6875 -96.0468 30.5976 154.6 59.6889 154.599 -130.19 GPRESSURE: 1333200 -111.606 -143.474 77.1726 -110.438 96.0625 161.007 62.5582 163.327 -84.8359 PRESSAVG: 1333200 15.6052 11.888 39.3957 11.888 19.8535 29.7224 39.3956 29.7223 -19.6943 GPRESSAVG: 1333200 15.374 13.7783 41.4947 10.094 18.9094 31.7506 39.3822 29.8519 -18.7302 TIMING: 1333200 CPU: 3864.6, 0.00291489/step Wall: 3864.6, 0.00291489/step, 2.96898 hours remaining, 210.984375 MB of memory in use. ENERGY: 1333200 743.5516 2163.4064 1935.7863 113.6399 -205872.0388 17623.4656 0.0000 0.0000 34326.1519 -148966.0370 299.7788 -183292.1890 -148867.6138 299.6837 -62.4484 -33.4596 558036.9798 5.2548 5.1844 PRESSURE: 1333400 104.201 -88.0713 -222.326 -88.0716 -91.0427 59.4862 -222.324 59.487 147.061 GPRESSURE: 1333400 158.646 -228.999 -221.046 -87.2473 -89.5953 82.179 -192.348 -36.2733 202.009 PRESSAVG: 1333400 -33.3214 -16.537 -59.3192 -16.537 -42.9169 50.4097 -59.3191 50.4097 46.1396 GPRESSAVG: 1333400 -33.3145 -18.3226 -59.0313 -14.7178 -42.9956 48.1351 -62.0386 49.9535 46.2692 TIMING: 1333400 CPU: 3865.18, 0.00291749/step Wall: 3865.18, 0.00291749/step, 2.97147 hours remaining, 210.984375 MB of memory in use. ENERGY: 1333400 701.5269 2146.4458 1933.1459 125.3380 -206112.6202 17857.4585 0.0000 0.0000 34374.5723 -148974.1328 300.2017 -183348.7052 -148868.7559 300.4367 53.4065 90.3533 557587.3462 -10.0329 -10.0136 PRESSURE: 1333600 -134.796 -3.26327 34.9829 -3.26356 -283.601 111.13 34.9827 111.13 -97.3877 GPRESSURE: 1333600 -103.531 37.9886 49.5969 72.0918 -217.761 106.978 25.2493 166.946 -103.694 PRESSAVG: 1333600 -30.217 -51.6397 -35.962 -51.6397 -65.8365 26.8405 -35.9621 26.8404 114.391 GPRESSAVG: 1333600 -29.6646 -50.0643 -36.927 -53.077 -65.7067 28.5522 -35.1459 28.2168 114.1 TIMING: 1333600 CPU: 3865.76, 0.00290347/step Wall: 3865.76, 0.00290347/step, 2.95702 hours remaining, 210.984375 MB of memory in use. ENERGY: 1333600 797.8885 2128.5071 1931.4901 112.2992 -206054.7864 17642.4007 0.0000 0.0000 34355.6524 -149086.5485 300.0365 -183442.2009 -148991.5262 299.4187 -171.9280 -141.6620 558054.5305 6.1124 6.2430 PRESSURE: 1333800 210.204 -75.2548 46.8364 -75.255 254.656 4.8923 46.8353 4.89291 196.539 GPRESSURE: 1333800 239.885 22.1815 132.554 -96.3617 283.424 -14.241 -11.2834 0.965959 224.224 PRESSAVG: 1333800 34.3765 62.8444 -10.941 62.8444 52.6509 -25.1893 -10.941 -25.1892 -56.2583 GPRESSAVG: 1333800 34.3017 65.2084 -10.2407 62.1695 52.434 -25.2304 -11.6039 -24.4137 -56.22 TIMING: 1333800 CPU: 3866.34, 0.00290852/step Wall: 3866.34, 0.00290852/step, 2.96201 hours remaining, 211.277344 MB of memory in use. ENERGY: 1333800 714.4836 2129.8561 1929.1493 119.3435 -206726.5627 18229.0730 0.0000 0.0000 34433.1198 -149171.5373 300.7130 -183604.6571 -149080.1834 299.6259 220.4661 249.1776 556457.4959 10.2564 10.1719 PRESSURE: 1334000 -431.897 35.6585 -56.4787 35.6578 180.415 86.3027 -56.478 86.3023 -80.1532 GPRESSURE: 1334000 -393.646 41.5908 -5.82825 36.5037 206.635 98.6879 -44.9313 122.863 -48.775 PRESSAVG: 1334000 -12.7353 39.9812 28.0674 39.9813 36.9556 31.7542 28.0674 31.7542 -12.7916 GPRESSAVG: 1334000 -12.9187 36.8484 29.0866 40.2699 36.354 30.4526 27.5385 31.6878 -12.6923 TIMING: 1334000 CPU: 3866.92, 0.00290328/step Wall: 3866.92, 0.00290328/step, 2.95651 hours remaining, 211.277344 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: 1334000 758.5704 2111.0696 1945.7093 108.7815 -205853.1768 17588.4241 0.0000 0.0000 34333.6180 -149007.0039 299.8440 -183340.6219 -148905.6624 299.4983 -110.5451 -78.5952 559948.1476 3.8095 3.5810 PRESSURE: 1334200 -52.8281 -63.5003 83.1428 -63.5003 -7.09039 -72.2868 83.1413 -72.2856 27.8836 GPRESSURE: 1334200 -24.5333 -5.72165 125.346 -65.7273 -5.71514 -36.3113 -3.07622 -39.6486 96.0125 PRESSAVG: 1334200 24.3318 -11.6402 1.88034 -11.6403 -38.815 17.3089 1.88035 17.3089 -5.7638 GPRESSAVG: 1334200 24.1654 -10.8244 0.00238465 -13.1261 -38.7132 17.2627 3.02507 16.2807 -6.01972 TIMING: 1334200 CPU: 3867.51, 0.0029209/step Wall: 3867.51, 0.0029209/step, 2.97429 hours remaining, 211.277344 MB of memory in use. ENERGY: 1334200 759.8467 2126.5530 1949.6949 102.8967 -205928.7903 17716.2431 0.0000 0.0000 34217.7696 -149055.7864 298.8323 -183273.5560 -148957.7709 300.0628 -10.6783 21.9214 558254.4357 -6.7490 -6.8558 PRESSURE: 1334400 -142.492 36.5406 63.009 36.5414 -111.854 200.507 63.0086 200.508 48.9412 GPRESSURE: 1334400 -147.65 -17.8326 94.197 -24.5945 -33.4573 211.349 8.96155 128.556 73.1729 PRESSAVG: 1334400 -29.1052 -10.1073 37.5103 -10.1073 20.5768 45.7529 37.5102 45.7529 -7.30088 GPRESSAVG: 1334400 -28.8209 -11.3459 37.3806 -10.0621 20.0743 46.703 36.9918 45.9474 -7.75827 TIMING: 1334400 CPU: 3868.09, 0.002916/step Wall: 3868.09, 0.002916/step, 2.96913 hours remaining, 211.277344 MB of memory in use. ENERGY: 1334400 786.7104 2147.9754 1933.8363 106.3107 -205922.3949 17717.5197 0.0000 0.0000 34381.2960 -148848.7465 300.2604 -183230.0425 -148746.3839 300.4520 -68.4682 -35.9782 557961.5886 -5.2764 -5.5016 PRESSURE: 1334600 103.839 -200.479 35.163 -200.479 278.698 -222.709 35.1631 -222.708 198.748 GPRESSURE: 1334600 167.357 -114.629 -33.773 -217.831 303.115 -235.133 92.5244 -103.832 213.784 PRESSAVG: 1334600 20.4407 -13.5789 34.3722 -13.5789 14.8004 4.59697 34.3722 4.59705 26.3215 GPRESSAVG: 1334600 19.6832 -10.5924 36.3944 -13.1245 15.2745 3.70554 34.1194 3.78943 25.9544 TIMING: 1334600 CPU: 3868.68, 0.00292878/step Wall: 3868.68, 0.00292878/step, 2.98198 hours remaining, 211.277344 MB of memory in use. ENERGY: 1334600 723.9338 2119.1368 1954.8865 112.1837 -205952.6430 18070.4833 0.0000 0.0000 34165.9077 -148806.1112 298.3794 -182972.0189 -148713.4310 300.9344 193.7619 228.0856 557862.9576 20.5209 20.3040 PRESSURE: 1334800 -463.898 -19.814 81.8265 -19.8152 73.348 68.64 81.8266 68.6402 -51.9961 GPRESSURE: 1334800 -424.24 -7.25406 61.0659 -56.4216 89.1922 84.6682 89.9316 -37.2576 0.680641 PRESSAVG: 1334800 -8.22076 -0.177749 5.60135 -0.177708 -34.7824 2.36058 5.60129 2.36063 32.8143 GPRESSAVG: 1334800 -8.8747 -3.14153 3.11113 0.137654 -34.7817 3.70274 7.23177 3.79845 33.4881 TIMING: 1334800 CPU: 3869.26, 0.00292032/step Wall: 3869.26, 0.00292032/step, 2.97321 hours remaining, 211.277344 MB of memory in use. ENERGY: 1334800 741.8310 2153.8674 1934.5517 120.0731 -205605.7815 17477.3727 0.0000 0.0000 34336.9313 -148841.1544 299.8730 -183178.0857 -148742.2605 300.2146 -147.5155 -111.4557 559054.0953 -3.3963 -3.3894 PRESSURE: 1335000 -173.229 13.6876 -7.86544 13.688 -141.514 -132.572 -7.86468 -132.573 -42.4735 GPRESSURE: 1335000 -148.942 19.9736 -61.1 36.2601 -151.187 -146.341 105.039 -159.542 38.626 PRESSAVG: 1335000 -32.4549 13.3333 -23.3192 13.3332 95.5754 -34.6523 -23.3193 -34.6524 -42.1063 GPRESSAVG: 1335000 -33.7971 15.2411 -24.6953 12.663 95.4554 -33.8349 -23.1477 -36.3791 -40.2575 TIMING: 1335000 CPU: 3869.84, 0.00290185/step Wall: 3869.84, 0.00290185/step, 2.95425 hours remaining, 211.277344 MB of memory in use. ENERGY: 1335000 759.1903 2081.4102 1944.3583 105.2682 -205847.6949 17692.7703 0.0000 0.0000 34357.5169 -148907.1807 300.0527 -183264.6975 -148806.6481 300.6225 -119.0724 -87.1677 558560.2432 7.0047 7.1336 PRESSURE: 1335200 -158.832 -138.71 95.6303 -138.71 -65.9221 57.5165 95.6306 57.5177 -364.227 GPRESSURE: 1335200 -107.363 -72.5033 84.0057 -125.458 -8.05982 -2.39912 147.023 149.091 -367.02 PRESSAVG: 1335200 -46.3214 -27.3897 20.4986 -27.3897 47.5338 1.69987 20.4986 1.69983 17.4289 GPRESSAVG: 1335200 -45.3808 -27.8289 23.3155 -25.5527 47.7341 -0.364622 18.0197 4.24684 16.5681 TIMING: 1335200 CPU: 3870.42, 0.00288979/step Wall: 3870.42, 0.00288979/step, 2.94181 hours remaining, 211.277344 MB of memory in use. ENERGY: 1335200 726.3334 2064.5752 1956.6786 107.0527 -205636.9901 17550.6819 0.0000 0.0000 34366.0376 -148865.6306 300.1272 -183231.6682 -148768.1979 300.2876 -196.3268 -160.8139 560530.3279 6.2138 6.3071 PRESSURE: 1335400 -235.181 -53.0426 -40.2989 -53.043 137.993 -218.174 -40.2987 -218.176 -164.898 GPRESSURE: 1335400 -181.925 -116.725 -23.443 -64.1125 146.074 -153.808 -104.292 -213.288 -121.479 PRESSAVG: 1335400 -19.2041 -18.3944 -64.8649 -18.3944 27.3894 -12.5044 -64.865 -12.5043 -37.5251 GPRESSAVG: 1335400 -18.6318 -20.6275 -66.0532 -19.8114 27.2795 -12.7828 -62.4498 -13.1903 -37.5906 TIMING: 1335400 CPU: 3871, 0.00288885/step Wall: 3871, 0.00288885/step, 2.94069 hours remaining, 211.277344 MB of memory in use. ENERGY: 1335400 759.0821 2088.6849 1933.5324 107.6476 -205784.3546 17722.5017 0.0000 0.0000 34305.4564 -148867.4495 299.5981 -183172.9059 -148781.8400 300.7498 -87.3619 -52.4433 558966.7062 -9.7799 -9.6477 PRESSURE: 1335600 -109.462 82.7385 -51.625 82.7394 -272.084 37.1135 -51.6243 37.1135 -189.019 GPRESSURE: 1335600 -81.5785 -19.1344 -39.9002 112.668 -225.777 86.2875 -63.4638 121.301 -170.281 PRESSAVG: 1335600 -20.8313 -35.9134 19.6553 -35.9134 38.1139 -20.1288 19.6552 -20.1286 -15.8095 GPRESSAVG: 1335600 -20.7306 -34.0926 20.599 -35.802 37.0831 -18.0797 18.8085 -21.8933 -15.1443 TIMING: 1335600 CPU: 3871.58, 0.00289534/step Wall: 3871.58, 0.00289534/step, 2.94713 hours remaining, 211.277344 MB of memory in use. ENERGY: 1335600 792.8573 2074.1043 1928.3679 115.0574 -205968.4993 17829.1580 0.0000 0.0000 34390.1028 -148838.8516 300.3373 -183228.9544 -148739.5961 299.7984 -190.1883 -159.2123 561143.6823 0.4910 0.4027 PRESSURE: 1335800 95.7571 -30.8833 9.89429 -30.8844 -133.13 20.0624 9.89493 20.0637 -114.334 GPRESSURE: 1335800 92.2991 -74.0144 18.8263 -69.8467 -61.1808 16.1077 -9.38466 -9.60194 -94.1185 PRESSAVG: 1335800 24.2478 18.0007 66.2016 18.0006 -25.5837 -32.1344 66.2016 -32.1343 -33.9211 GPRESSAVG: 1335800 24.1912 19.3811 68.8011 16.7167 -24.9845 -32.847 65.6772 -30.9396 -33.9959 TIMING: 1335800 CPU: 3872.16, 0.00290361/step Wall: 3872.16, 0.0029036/step, 2.95539 hours remaining, 211.277344 MB of memory in use. ENERGY: 1335800 725.0571 2095.0747 1920.3342 116.2113 -206120.9647 17794.5643 0.0000 0.0000 34388.0843 -149081.6388 300.3197 -183469.7231 -148980.6446 299.6406 -50.5692 -21.0001 558643.7953 -11.7524 -11.5964 PRESSURE: 1336000 306.742 5.40187 -53.0786 5.40255 47.5793 40.6937 -53.0782 40.6946 22.7218 GPRESSURE: 1336000 339.419 -13.3429 18.1313 -28.3158 67.6489 90.306 -50.484 7.06565 78.5043 PRESSAVG: 1336000 86.4595 -3.77473 -7.11519 -3.77476 0.45918 32.003 -7.11519 32.0031 -78.2166 GPRESSAVG: 1336000 85.7404 -2.2202 -9.27491 -2.95306 0.337611 32.88 -6.22872 30.6357 -78.0573 TIMING: 1336000 CPU: 3872.74, 0.00292174/step Wall: 3872.74, 0.00292174/step, 2.97368 hours remaining, 211.277344 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: 1336000 743.5322 2147.8776 1950.1406 117.5911 -206311.7968 18016.2308 0.0000 0.0000 34285.0551 -149051.3692 299.4199 -183336.4244 -148952.6244 299.2203 125.6810 161.8574 558563.2737 2.9007 2.6736 PRESSURE: 1336200 -75.3095 2.63992 73.6472 2.64013 -21.6568 238.07 73.6478 238.069 -171.022 GPRESSURE: 1336200 -28.4019 -61.55 47.377 18.0327 18.5985 281.384 60.5761 218.11 -160.398 PRESSAVG: 1336200 9.90093 -54.0246 -16.8298 -54.0245 10.9292 24.9831 -16.8298 24.983 -17.7803 GPRESSAVG: 1336200 10.3742 -54.2834 -17.8129 -55.3739 10.1517 24.7778 -16.671 26.0758 -17.8559 TIMING: 1336200 CPU: 3873.32, 0.00289669/step Wall: 3873.32, 0.00289669/step, 2.94803 hours remaining, 211.277344 MB of memory in use. ENERGY: 1336200 708.8076 2119.8692 1961.0109 101.7506 -206143.2588 17702.3547 0.0000 0.0000 34320.3153 -149229.1504 299.7279 -183549.4658 -149135.3502 299.4529 -89.3296 -56.7338 558065.7256 1.0166 0.8900 LDB: ============= START OF LOAD BALANCING ============== 3876.71 LDB: ============== END OF LOAD BALANCING =============== 3876.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3876.71 LDB: ============= START OF LOAD BALANCING ============== 3877 LDB: Largest compute 4822 load 0.027280 is 23.1% of average load 0.118000 LDB: Average compute 0.001723 is 1.5% of average load 0.118000 LDB: TIME 3877 LOAD: AVG 0.118 MAX 0.183526 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.125 MB LDB: TIME 3877 LOAD: AVG 0.118 MAX 0.183526 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: TIME 3877 LOAD: AVG 0.118 MAX 0.183526 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: ============== END OF LOAD BALANCING =============== 3877 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3877.01 PRESSURE: 1336400 -138.166 -46.9709 -155.045 -46.9712 -223.906 -43.3108 -155.045 -43.3117 -178.793 GPRESSURE: 1336400 -65.368 13.7631 -107.782 -61.1135 -215.159 -21.4875 -172.871 -32.6633 -157.657 PRESSAVG: 1336400 22.9936 -26.8537 11.206 -26.8538 -23.8914 57.2265 11.2059 57.2264 -13.1009 GPRESSAVG: 1336400 22.6952 -27.7475 10.6797 -26.1168 -23.6193 57.849 10.1498 56.1832 -13.2229 TIMING: 1336400 CPU: 3873.91, 0.00294612/step Wall: 3873.91, 0.00294612/step, 2.99817 hours remaining, 209.152344 MB of memory in use. ENERGY: 1336400 773.3688 2115.5709 1938.5209 127.1149 -206135.6002 17636.2450 0.0000 0.0000 34288.7824 -149255.9974 299.4525 -183544.7799 -149163.2121 299.4083 -180.2883 -146.0612 555195.2100 -4.6662 -4.7156 PRESSURE: 1336600 -36.1028 55.3956 -216.338 55.3966 76.7333 36.7939 -216.339 36.7945 -146.603 GPRESSURE: 1336600 -0.845706 151.921 -203.678 37.6271 94.1523 -25.7914 -217.405 4.1255 -101.509 PRESSAVG: 1336600 1.78093 25.831 -51.3616 25.831 -17.2357 -5.92752 -51.3617 -5.92748 -19.057 GPRESSAVG: 1336600 2.0462 25.7748 -50.9796 27.8627 -17.5236 -6.84928 -50.0827 -5.87643 -19.0958 TIMING: 1336600 CPU: 3874.49, 0.00288038/step Wall: 3874.49, 0.00288038/step, 2.93111 hours remaining, 209.152344 MB of memory in use. ENERGY: 1336600 726.9101 2086.5731 1941.0856 116.7075 -205958.1261 17626.1251 0.0000 0.0000 34431.2589 -149029.4658 300.6967 -183460.7247 -148932.2847 299.7611 -35.3243 -2.7341 557021.6881 -11.5039 -11.5244 PRESSURE: 1336800 -160.245 103.328 37.4331 103.328 -68.2799 119.768 37.4332 119.765 -111.01 GPRESSURE: 1336800 -153.291 65.3429 27.8759 107.919 31.481 79.637 24.1277 66.4671 -126.867 PRESSAVG: 1336800 14.6866 34.2267 0.517069 34.2267 33.6533 8.91313 0.517111 8.91317 -40.5908 GPRESSAVG: 1336800 14.5907 35.9781 0.359514 32.6019 33.7907 8.38119 -0.271283 8.81545 -40.4753 TIMING: 1336800 CPU: 3875.06, 0.00288527/step Wall: 3875.06, 0.00288527/step, 2.93593 hours remaining, 209.152344 MB of memory in use. ENERGY: 1336800 765.7066 2105.5448 1938.4628 113.7373 -205499.5513 17423.9490 0.0000 0.0000 34195.4747 -148956.6760 298.6376 -183152.1507 -148866.4109 299.7904 -113.1782 -82.8924 556702.5408 2.5830 2.6353 PRESSURE: 1337000 50.2885 109.514 -57.7687 109.513 -79.8303 248.784 -57.768 248.783 63.1299 GPRESSURE: 1337000 75.5401 17.399 -42.1799 140.502 -40.4305 182.167 -143.761 298.954 91.4545 PRESSAVG: 1337000 -21.0582 33.7853 -7.68653 33.7853 39.6064 10.0817 -7.68659 10.0817 -24.3352 GPRESSAVG: 1337000 -19.241 31.6815 -5.99526 34.3169 39.3008 10.9998 -9.41696 10.373 -25.6556 TIMING: 1337000 CPU: 3875.64, 0.0028598/step Wall: 3875.64, 0.0028598/step, 2.90985 hours remaining, 209.203125 MB of memory in use. ENERGY: 1337000 751.7702 2089.1731 1924.0834 103.6968 -205891.7895 17888.6417 0.0000 0.0000 34361.5264 -148772.8979 300.0878 -183134.4242 -148671.7914 300.6187 11.1960 42.1880 557815.4120 -1.9290 -1.8653 PRESSURE: 1337200 -64.8348 -289.626 40.316 -289.626 1.65836 24.2337 40.3165 24.2327 -83.0133 GPRESSURE: 1337200 22.3289 -303.681 -36.024 -208.189 3.7329 23.8507 77.0769 38.3019 -72.8035 PRESSAVG: 1337200 39.2679 -81.5405 40.4139 -81.5404 19.1438 27.5653 40.4139 27.5652 -60.9146 GPRESSAVG: 1337200 38.0368 -78.3291 39.3071 -82.9462 20.182 26.0607 40.1261 27.9174 -60.6483 TIMING: 1337200 CPU: 3876.21, 0.00287683/step Wall: 3876.21, 0.00287682/step, 2.92701 hours remaining, 209.203125 MB of memory in use. ENERGY: 1337200 727.2457 2085.8118 1926.9777 110.7318 -206006.5530 17742.5933 0.0000 0.0000 34524.0840 -148889.1088 301.5074 -183413.1928 -148792.0069 300.6950 -48.7299 -15.5806 556937.6608 -0.8343 -0.8098 PRESSURE: 1337400 -238.312 98.266 56.2139 98.2655 -55.632 -92.3716 56.2134 -92.3704 -156.382 GPRESSURE: 1337400 -191.578 86.7492 24.4671 19.602 -56.2895 -81.9783 51.3947 -163.577 -94.5698 PRESSAVG: 1337400 30.4937 -28.8153 44.328 -28.8154 39.9074 28.4585 44.328 28.4585 -1.63558 GPRESSAVG: 1337400 30.4102 -30.9419 42.1952 -26.9971 39.6738 27.4044 46.714 27.7057 -1.26977 TIMING: 1337400 CPU: 3876.79, 0.00288829/step Wall: 3876.79, 0.00288829/step, 2.93852 hours remaining, 209.203125 MB of memory in use. ENERGY: 1337400 780.5100 2084.9609 1959.0634 109.2480 -205871.7396 17619.2922 0.0000 0.0000 34464.7866 -148853.8784 300.9896 -183318.6650 -148758.4325 300.6836 -150.1085 -114.1456 557697.3084 22.9218 22.9381 PRESSURE: 1337600 232.07 170.233 79.8576 170.233 144.982 -62.275 79.8584 -62.2745 -16.1359 GPRESSURE: 1337600 178.559 128.969 159.537 173.172 192.337 -80.1348 65.3141 31.6631 78.4463 PRESSAVG: 1337600 1.38258 -3.76282 19.0621 -3.76285 68.619 -12.8281 19.0621 -12.8281 -53.2073 GPRESSAVG: 1337600 0.675679 -4.48859 22.0577 -4.15098 68.5313 -10.3775 18.149 -12.0629 -52.8271 TIMING: 1337600 CPU: 3877.37, 0.00290161/step Wall: 3877.37, 0.00290161/step, 2.95191 hours remaining, 209.203125 MB of memory in use. ENERGY: 1337600 751.7820 2122.6485 1895.7401 102.6989 -205892.6974 17916.2255 0.0000 0.0000 34222.5385 -148881.0638 298.8739 -183103.6023 -148787.1101 299.5958 120.3055 149.7810 559073.7891 5.5981 5.4600 PRESSURE: 1337800 76.3336 -6.68614 37.4018 -6.68682 34.193 88.2843 37.4012 88.2864 -133.002 GPRESSURE: 1337800 138.273 91.7677 -28.8105 -94.7198 63.8954 34.4787 33.2246 106.511 -116.914 PRESSAVG: 1337800 30.6043 -16.0435 87.1059 -16.0434 65.6693 54.2829 87.1058 54.283 -127.083 GPRESSAVG: 1337800 29.8079 -15.8762 85.8448 -15.7411 65.7202 54.2189 86.9012 52.8176 -126.877 TIMING: 1337800 CPU: 3877.95, 0.0028937/step Wall: 3877.95, 0.0028937/step, 2.94369 hours remaining, 209.203125 MB of memory in use. ENERGY: 1337800 785.8283 2100.6914 1926.8416 103.6136 -205941.2830 17865.0196 0.0000 0.0000 34167.6085 -148991.6800 298.3942 -183159.2885 -148902.5434 299.4308 -7.4920 28.4180 557500.1630 -10.2698 -10.4497 PRESSURE: 1338000 235.253 -125.709 -48.9481 -125.709 0.213786 -27.7319 -48.9476 -27.7328 60.7293 GPRESSURE: 1338000 214.835 -70.5352 -47.4604 -146.673 68.5284 -4.11448 -55.478 -34.2247 118.931 PRESSAVG: 1338000 -6.37721 -18.7106 -7.64773 -18.7107 -0.7799 37.926 -7.64779 37.9261 8.63015 GPRESSAVG: 1338000 -5.57316 -17.3209 -7.86687 -18.2103 -1.92656 37.4952 -7.12374 38.4681 9.13669 TIMING: 1338000 CPU: 3878.53, 0.00288987/step Wall: 3878.53, 0.00288987/step, 2.93964 hours remaining, 209.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1338000 725.1967 2102.4052 1943.3012 103.9147 -206104.0693 18024.9521 0.0000 0.0000 34271.0699 -148933.2296 299.2978 -183204.2995 -148837.1939 300.0417 98.7320 134.0982 557507.1004 0.4910 0.5457 PRESSURE: 1338200 124.73 -31.1529 142.879 -31.1522 64.8659 61.3367 142.88 61.3373 -9.13051 GPRESSURE: 1338200 171.62 -33.1809 151.737 11.0183 118.757 21.9874 181.445 81.0626 -12.6639 PRESSAVG: 1338200 -25.054 -14.7278 29.1052 -14.7278 -5.08379 22.5948 29.1052 22.5948 11.3275 GPRESSAVG: 1338200 -25.5567 -16.7993 29.2837 -14.3377 -4.38964 21.9664 28.1744 23.547 11.2809 TIMING: 1338200 CPU: 3879.1, 0.00289656/step Wall: 3879.1, 0.00289656/step, 2.94629 hours remaining, 209.203125 MB of memory in use. ENERGY: 1338200 778.3601 2150.9836 1914.7166 108.5636 -206140.1907 17822.6278 0.0000 0.0000 34297.5205 -149067.4185 299.5288 -183364.9390 -148964.7385 299.4993 60.1551 92.5708 556221.3224 -6.2701 -6.2218 PRESSURE: 1338400 -202.779 48.4027 -0.7533 48.4033 -207.263 185.073 -0.753922 185.074 -113.247 GPRESSURE: 1338400 -142.193 -17.2804 29.7388 21.8166 -138.586 160.154 -58.5926 163.979 -142.972 PRESSAVG: 1338400 12.3534 1.49443 47.4431 1.49434 -6.65526 25.3731 47.443 25.3733 -2.35101 GPRESSAVG: 1338400 12.9485 4.63199 46.9751 1.83083 -7.69714 24.6587 49.6615 25.6228 -1.8833 TIMING: 1338400 CPU: 3879.68, 0.00289605/step Wall: 3879.68, 0.00289605/step, 2.9456 hours remaining, 209.203125 MB of memory in use. ENERGY: 1338400 770.9205 2074.2579 1915.4334 119.8819 -205552.5425 17493.5618 0.0000 0.0000 34149.8201 -149028.6669 298.2389 -183178.4869 -148939.1608 299.7430 -174.4298 -141.2503 557575.4721 1.1157 1.1227 PRESSURE: 1338600 -119.315 17.3736 156.219 17.3741 62.9981 102.872 156.219 102.873 27.7811 GPRESSURE: 1338600 -39.6132 10.4735 138.753 19.3326 62.6982 22.6955 80.3434 131.775 46.5194 PRESSAVG: 1338600 -30.5567 -9.31539 21.183 -9.31541 32.1201 42.5752 21.183 42.5753 34.2722 GPRESSAVG: 1338600 -30.2286 -12.4528 19.655 -9.01976 32.5447 42.5316 20.6858 40.8172 33.4444 TIMING: 1338600 CPU: 3880.26, 0.00287984/step Wall: 3880.26, 0.00287984/step, 2.92895 hours remaining, 209.203125 MB of memory in use. ENERGY: 1338600 728.1604 2129.2040 1912.3380 107.8541 -205796.1036 17549.1220 0.0000 0.0000 34359.5935 -149009.8317 300.0709 -183369.4252 -148913.1817 299.9836 -9.5120 23.2015 556258.8497 11.9452 11.9201 PRESSURE: 1338800 -62.3363 -183.558 46.3093 -183.556 -103.847 -73.1563 46.3095 -73.156 -67.9672 GPRESSURE: 1338800 -30.3107 -146.43 56.7018 -215.391 -45.2129 -126.356 4.82892 -13.9519 -55.2119 PRESSAVG: 1338800 64.2474 -31.9702 44.1792 -31.9702 -39.508 70.9975 44.1791 70.9974 -27.8815 GPRESSAVG: 1338800 64.6304 -29.6905 44.9643 -33.9906 -40.5151 70.942 42.7254 70.6236 -27.5072 TIMING: 1338800 CPU: 3880.84, 0.0028928/step Wall: 3880.84, 0.0028928/step, 2.94197 hours remaining, 209.203125 MB of memory in use. ENERGY: 1338800 776.1724 2044.7957 1916.8092 111.8263 -205677.8643 17534.2224 0.0000 0.0000 34331.7440 -148962.2945 299.8277 -183294.0384 -148857.3926 300.1561 -78.0502 -43.5785 556679.3088 -1.0474 -1.1306 PRESSURE: 1339000 109.952 49.7004 -122.265 49.6996 185.485 67.5581 -122.264 67.5566 150.984 GPRESSURE: 1339000 122.503 68.9993 -119.298 73.5053 238.368 83.4821 -213.546 67.0215 186.338 PRESSAVG: 1339000 49.315 -63.9189 -28.2265 -63.9189 -2.88432 50.1692 -28.2264 50.1692 -84.5947 GPRESSAVG: 1339000 48.7662 -63.8129 -27.9529 -63.8306 -2.05719 48.8733 -29.1943 51.4036 -84.8452 TIMING: 1339000 CPU: 3881.41, 0.0028762/step Wall: 3881.41, 0.0028762/step, 2.92493 hours remaining, 209.203125 MB of memory in use. ENERGY: 1339000 743.0086 2127.2538 1932.0158 109.8233 -206443.9669 18022.9034 0.0000 0.0000 34428.4708 -149080.4912 300.6724 -183508.9620 -148990.5350 300.6188 148.8070 182.4031 556240.6038 -12.7213 -12.7121 PRESSURE: 1339200 181.482 83.7281 -112.535 83.7281 126.882 -109.352 -112.535 -109.355 204.647 GPRESSURE: 1339200 165.077 44.617 -132.847 97.0159 206.271 -53.7574 -61.2485 -153.54 235.628 PRESSAVG: 1339200 22.1892 -13.2243 -45.6338 -13.2243 27.7928 -0.102155 -45.6338 -0.102198 -14.5513 GPRESSAVG: 1339200 22.7292 -16.3179 -43.3879 -11.8856 27.4416 1.33146 -44.0878 0.562392 -14.665 TIMING: 1339200 CPU: 3881.99, 0.00289865/step Wall: 3881.99, 0.00289865/step, 2.94761 hours remaining, 209.203125 MB of memory in use. ENERGY: 1339200 726.1924 2081.9018 1922.5853 122.6087 -206157.5805 18075.5524 0.0000 0.0000 34229.2545 -148999.4854 298.9326 -183228.7399 -148899.0275 300.0611 171.0039 202.3255 558271.2395 11.8102 11.8353 PRESSURE: 1339400 -7.29961 8.85854 94.4195 8.85821 -121.6 -37.577 94.4194 -37.5778 -161.287 GPRESSURE: 1339400 41.3837 51.4935 -23.9337 -10.6355 -130.198 -62.4053 135.304 -16.9987 -119.622 PRESSAVG: 1339400 -71.2892 -40.5591 -10.3954 -40.5592 27.6304 8.35366 -10.3954 8.35364 6.53526 GPRESSAVG: 1339400 -71.8598 -39.898 -15.0768 -39.4951 27.3365 9.64175 -7.676 7.43548 7.35316 TIMING: 1339400 CPU: 3882.57, 0.00289199/step Wall: 3882.57, 0.00289199/step, 2.94067 hours remaining, 209.203125 MB of memory in use. ENERGY: 1339400 738.7136 2128.4528 1942.5671 114.8484 -205915.0977 17723.2003 0.0000 0.0000 34349.5799 -148917.7357 299.9834 -183267.3155 -148830.4875 299.9315 -96.7288 -69.4786 559663.8406 -12.3745 -12.3901 PRESSURE: 1339600 -42.6527 -136.521 78.0744 -136.522 -170.199 19.3144 78.0747 19.3169 -85.4006 GPRESSURE: 1339600 15.5868 -176.622 75.2763 -53.5982 -174.013 56.8462 59.4456 -99.9592 -47.2318 PRESSAVG: 1339600 -19.2045 -70.3484 17.8999 -70.3485 87.1708 -32.2845 17.8998 -32.2844 -71.4473 GPRESSAVG: 1339600 -18.3859 -69.2859 18.0084 -71.7808 88.7856 -34.2963 16.803 -31.3252 -73.4531 TIMING: 1339600 CPU: 3883.16, 0.00291792/step Wall: 3883.16, 0.00291792/step, 2.96688 hours remaining, 209.203125 MB of memory in use. ENERGY: 1339600 784.0949 2132.6048 1915.4874 136.5067 -206103.2143 17964.3360 0.0000 0.0000 34414.8945 -148755.2899 300.5538 -183170.1844 -148657.1765 300.1912 -99.4174 -68.5528 559799.3781 -1.1603 -1.0178 PRESSURE: 1339800 -78.4903 -90.1345 -78.5523 -90.1334 108.788 -225.873 -78.552 -225.874 211.064 GPRESSURE: 1339800 -7.26796 -40.5627 -82.3257 -103.813 119.508 -183.808 -151.975 -248.187 219.867 PRESSAVG: 1339800 -7.29965 -75.7043 -52.4833 -75.7043 43.0598 21.4523 -52.4833 21.4523 1.21151 GPRESSAVG: 1339800 -7.7853 -75.8416 -51.1166 -76.9317 41.7055 21.8464 -53.7322 22.1014 3.14968 TIMING: 1339800 CPU: 3883.73, 0.00287735/step Wall: 3883.73, 0.00287735/step, 2.92546 hours remaining, 209.203125 MB of memory in use. ENERGY: 1339800 734.3115 2061.4210 1934.1979 103.9416 -206117.3886 18040.8532 0.0000 0.0000 34630.2473 -148612.4161 302.4346 -183242.6635 -148519.5438 300.8362 80.4540 110.7022 558170.3638 12.3239 12.3566 PRESSURE: 1340000 -102.973 25.7744 48.6515 25.775 -130.839 -40.453 48.6528 -40.4526 -45.9076 GPRESSURE: 1340000 -18.0929 89.9192 2.56869 -40.1251 -106.677 -36.4653 64.1526 -73.2536 -44.6832 PRESSAVG: 1340000 48.6885 23.2291 0.580828 23.2292 -77.7585 -71.7582 0.580937 -71.7582 53.9066 GPRESSAVG: 1340000 48.2828 23.5934 1.2826 23.3238 -77.3456 -70.6834 1.10059 -73.0438 53.1864 TIMING: 1340000 CPU: 3884.32, 0.00291971/step Wall: 3884.32, 0.00291971/step, 2.96838 hours remaining, 209.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1340000 745.5337 2060.4563 1936.0578 109.1925 -205570.5578 17696.6923 0.0000 0.0000 34208.4030 -148814.2222 298.7505 -183022.6252 -148720.4969 300.3584 -93.2399 -56.4844 558974.2280 8.2789 8.0412 PRESSURE: 1340200 53.6442 24.8895 -128.213 24.8894 -36.415 10.313 -128.214 10.3123 31.2995 GPRESSURE: 1340200 96.5369 -47.6626 -150.188 16.9778 2.01668 -11.0517 -61.303 13.449 43.4668 PRESSAVG: 1340200 7.8809 39.2992 9.68081 39.2992 -28.7752 -14.7192 9.68075 -14.7193 17.9342 GPRESSAVG: 1340200 8.31517 39.5172 8.99704 39.8269 -28.8947 -13.7124 8.38598 -16.9968 17.4263 TIMING: 1340200 CPU: 3884.9, 0.00291077/step Wall: 3884.9, 0.00291077/step, 2.95912 hours remaining, 209.203125 MB of memory in use. ENERGY: 1340200 784.2065 2083.8200 1941.9237 113.7160 -206018.4588 17731.9090 0.0000 0.0000 34426.7782 -148936.1053 300.6576 -183362.8835 -148836.6717 300.6809 16.1762 47.3401 557982.8120 -0.9867 -1.0511 LDB: ============= START OF LOAD BALANCING ============== 3888.29 LDB: ============== END OF LOAD BALANCING =============== 3888.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3888.29 LDB: ============= START OF LOAD BALANCING ============== 3888.58 LDB: Largest compute 4822 load 0.025829 is 21.9% of average load 0.117913 LDB: Average compute 0.001713 is 1.5% of average load 0.117913 LDB: TIME 3888.58 LOAD: AVG 0.117913 MAX 0.186107 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 3888.58 LOAD: AVG 0.117913 MAX 0.186107 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: TIME 3888.58 LOAD: AVG 0.117913 MAX 0.186107 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3888.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3888.59 PRESSURE: 1340400 187.102 -94.3158 -156.748 -94.3157 19.1649 -47.2255 -156.75 -47.2252 288.373 GPRESSURE: 1340400 175.148 50.9477 -96.6516 -143.796 79.4937 -47.3258 -189.295 61.0471 345.522 PRESSAVG: 1340400 5.22618 28.8228 -34.7527 28.8228 -44.5945 16.8233 -34.7526 16.8233 43.7346 GPRESSAVG: 1340400 4.90483 29.2024 -33.1598 28.3058 -44.6459 16.1133 -36.208 18.1828 44.0318 TIMING: 1340400 CPU: 3885.5, 0.00299024/step Wall: 3885.5, 0.00299024/step, 3.03975 hours remaining, 210.085938 MB of memory in use. ENERGY: 1340400 707.5629 2123.3937 1938.4698 113.0985 -205982.9571 17892.8777 0.0000 0.0000 34354.6429 -148852.9116 300.0276 -183207.5545 -148753.6283 300.7508 164.8797 200.0545 556724.3663 1.4555 1.4302 PRESSURE: 1340600 252.254 -185.788 83.2941 -185.789 -30.8789 -71.9922 83.2943 -71.9932 -218.924 GPRESSURE: 1340600 246.056 -207.953 97.2072 -109.281 17.0056 -33.7948 110.573 -71.622 -161.793 PRESSAVG: 1340600 14.2664 -30.0993 -12.9826 -30.0993 37.2815 -24.5804 -12.9827 -24.5803 -4.5719 GPRESSAVG: 1340600 14.5516 -30.1148 -11.7232 -29.0197 36.797 -24.7684 -13.5576 -24.7111 -4.34231 TIMING: 1340600 CPU: 3886.08, 0.00290006/step Wall: 3886.08, 0.00290006/step, 2.94791 hours remaining, 210.085938 MB of memory in use. ENERGY: 1340600 759.8945 2104.5748 1945.4408 109.7157 -205885.9745 17825.1326 0.0000 0.0000 34427.9347 -148713.2815 300.6677 -183141.2162 -148622.6780 300.2808 0.8173 33.7564 556449.7594 15.6587 15.6688 PRESSURE: 1340800 54.6274 -80.8482 70.5995 -80.8486 35.6115 -111.597 70.5984 -111.597 100.744 GPRESSURE: 1340800 137.504 -86.2752 89.7093 -132.5 76.874 -108.098 117.001 -134.414 78.9871 PRESSAVG: 1340800 -8.74379 -28.2829 60.595 -28.2829 68.1134 0.119276 60.595 0.119253 -42.4505 GPRESSAVG: 1340800 -9.39751 -29.6992 60.7682 -29.424 69.8172 0.6046 62.2589 0.340139 -43.0025 TIMING: 1340800 CPU: 3886.65, 0.00288595/step Wall: 3886.65, 0.00288595/step, 2.93341 hours remaining, 210.085938 MB of memory in use. ENERGY: 1340800 764.0519 2061.6749 1928.1227 108.9021 -206267.9156 17949.6600 0.0000 0.0000 34555.8242 -148899.6798 301.7846 -183455.5040 -148801.2995 300.8427 63.6609 97.7883 556002.0858 5.6397 5.8057 PRESSURE: 1341000 29.3399 6.76138 -36.7403 6.76058 -40.3933 104.426 -36.742 104.426 -116.681 GPRESSURE: 1341000 64.9728 18.9036 2.20148 144.952 15.1346 63.8803 -51.9664 152.167 -99.9224 PRESSAVG: 1341000 11.9076 -5.54375 25.023 -5.54369 6.21904 1.21562 25.023 1.21572 -56.9356 GPRESSAVG: 1341000 12.1127 -4.78482 22.8731 -5.90173 5.44771 0.656119 25.3658 1.18427 -56.617 TIMING: 1341000 CPU: 3887.23, 0.00290216/step Wall: 3887.23, 0.00290216/step, 2.94973 hours remaining, 210.085938 MB of memory in use. ENERGY: 1341000 761.3051 2142.6147 1908.0590 127.0728 -206032.6092 17708.7914 0.0000 0.0000 34461.3736 -148923.3925 300.9597 -183384.7661 -148821.4382 300.0401 -42.5780 -6.6050 557131.1123 -12.9363 -13.0189 PRESSURE: 1341200 -232.901 97.1217 -37.0325 97.1216 20.9845 10.6507 -37.0331 10.6506 161.45 GPRESSURE: 1341200 -186.062 90.402 -5.3433 183.144 72.8768 18.9043 -91.6488 27.3139 144.945 PRESSAVG: 1341200 -12.6411 30.5975 46.7207 30.5975 1.23404 28.9975 46.7205 28.9974 25.7355 GPRESSAVG: 1341200 -11.6508 30.6861 48.5497 31.9908 0.6051 27.9867 45.1361 30.5703 24.9271 TIMING: 1341200 CPU: 3887.81, 0.00290198/step Wall: 3887.81, 0.00290198/step, 2.94938 hours remaining, 210.085938 MB of memory in use. ENERGY: 1341200 756.6434 2126.6704 1964.2239 130.1717 -206126.1254 17838.3336 0.0000 0.0000 34300.7017 -149009.3806 299.5566 -183310.0823 -148909.7055 300.0011 -16.8223 10.5866 558174.9342 4.7762 4.6271 PRESSURE: 1341400 54.7566 26.2853 -117.202 26.2842 -100.597 -57.5875 -117.202 -57.5869 -235.979 GPRESSURE: 1341400 110.295 -44.1035 -164.605 58.1427 -92.4425 -92.1642 -38.3341 -13.0339 -201.651 PRESSAVG: 1341400 -0.811365 15.8197 -3.38693 15.8197 -21.0069 -43.3869 -3.38701 -43.387 34.1092 GPRESSAVG: 1341400 -0.904102 14.4002 -5.28099 15.0439 -19.7968 -43.4416 -0.201506 -42.9156 33.1474 TIMING: 1341400 CPU: 3888.39, 0.00286852/step Wall: 3888.39, 0.00286852/step, 2.91521 hours remaining, 210.085938 MB of memory in use. ENERGY: 1341400 705.6232 2129.5407 1956.3377 123.2834 -205974.1207 17645.7670 0.0000 0.0000 34246.9555 -149166.6133 299.0872 -183413.5688 -149071.4216 299.4229 -93.9400 -61.2659 557633.0430 4.0970 4.1488 PRESSURE: 1341600 106.779 -87.7262 34.9415 -87.7274 -84.6718 -96.6456 34.9419 -96.6453 18.6423 GPRESSURE: 1341600 136.239 -16.9193 49.8837 -77.3154 -79.4466 -129.554 108.433 5.93054 75.5326 PRESSAVG: 1341600 26.8657 -25.3375 27.3732 -25.3374 -26.6548 -15.1216 27.3733 -15.1216 -37.3521 GPRESSAVG: 1341600 26.0907 -23.722 28.7529 -24.9108 -27.9949 -13.9093 25.186 -15.8902 -35.4863 TIMING: 1341600 CPU: 3888.97, 0.00289769/step Wall: 3888.97, 0.00289769/step, 2.9447 hours remaining, 210.085938 MB of memory in use. ENERGY: 1341600 720.4016 2078.5284 1940.3772 121.6534 -206004.2723 17712.3278 0.0000 0.0000 34113.0282 -149317.9556 297.9176 -183430.9838 -149221.2757 298.7009 13.5833 44.1083 556545.2149 -12.3804 -12.4635 PRESSURE: 1341800 -188.504 -8.21007 -75.938 -8.20915 -97.3639 39.4458 -75.9375 39.446 -152.244 GPRESSURE: 1341800 -129.211 -15.5058 -8.75465 -1.56159 -77.9067 -19.6014 -152.259 39.241 -129.524 PRESSAVG: 1341800 28.4554 -12.6938 -27.449 -12.6938 -18.1356 -69.2967 -27.4491 -69.2968 -20.521 GPRESSAVG: 1341800 28.5667 -13.5535 -27.9088 -12.4938 -16.8848 -69.6034 -27.5752 -69.2338 -21.857 TIMING: 1341800 CPU: 3889.55, 0.00290183/step Wall: 3889.55, 0.00290183/step, 2.94874 hours remaining, 210.085938 MB of memory in use. ENERGY: 1341800 745.2585 2080.5088 1943.2929 112.5624 -205986.8133 17554.2015 0.0000 0.0000 34133.1485 -149417.8407 298.0933 -183550.9892 -149322.9460 298.5782 -146.0375 -112.2141 556668.3522 -3.4004 -3.3917 PRESSURE: 1342000 -166.749 70.6611 52.3931 70.6602 22.5482 -35.9991 52.3942 -35.998 -88.621 GPRESSURE: 1342000 -84.1873 -15.4405 9.51913 185.616 -3.38379 19.0148 63.3633 -151.999 -41.9301 PRESSAVG: 1342000 21.6555 2.94734 -46.9126 2.94736 35.99 -39.7229 -46.9126 -39.723 -50.6949 GPRESSAVG: 1342000 22.4077 1.31561 -48.0037 2.16173 35.2497 -39.6705 -45.3817 -40.609 -50.94 TIMING: 1342000 CPU: 3890.13, 0.00289405/step Wall: 3890.13, 0.00289406/step, 2.94068 hours remaining, 210.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1342000 775.0927 2017.1795 1924.2144 102.3532 -206235.3852 17790.3901 0.0000 0.0000 34399.5432 -149226.6122 300.4198 -183626.1554 -149121.8190 299.5994 -77.6073 -43.1671 557764.7869 2.3169 2.2391 PRESSURE: 1342200 122.584 -48.4887 146.113 -48.4882 55.995 126.377 146.114 126.378 -107.65 GPRESSURE: 1342200 63.829 -93.0709 117.691 -34.6309 109.144 83.1369 122.622 108.966 -12.3918 PRESSAVG: 1342200 -5.82613 17.3663 -17.2847 17.3662 32.9685 73.567 -17.2849 73.5669 -8.58556 GPRESSAVG: 1342200 -7.23191 20.0679 -17.4807 18.1369 33.0211 72.6296 -18.0447 73.516 -7.91589 TIMING: 1342200 CPU: 3890.7, 0.00289408/step Wall: 3890.7, 0.00289408/step, 2.94055 hours remaining, 210.085938 MB of memory in use. ENERGY: 1342200 737.8828 2083.9180 1934.8170 91.0337 -206705.7802 17943.8953 0.0000 0.0000 34339.5651 -149574.6683 299.8960 -183914.2334 -149477.6680 299.6679 23.6430 53.5271 556748.5859 6.1856 5.9578 PRESSURE: 1342400 -137.557 106.874 3.45742 106.874 9.32189 -88.1691 3.45749 -88.1689 -191.581 GPRESSURE: 1342400 -148.874 121.664 -43.8434 82.9217 60.3408 -36.8779 7.86346 -80.7696 -126.056 PRESSAVG: 1342400 -30.2143 9.46972 -20.8581 9.46961 57.0069 12.1439 -20.8582 12.1439 -1.84826 GPRESSAVG: 1342400 -29.8066 10.2043 -20.6102 7.78125 57.0737 13.032 -19.3202 14.084 -2.25852 TIMING: 1342400 CPU: 3891.28, 0.00289694/step Wall: 3891.28, 0.00289694/step, 2.94329 hours remaining, 210.085938 MB of memory in use. ENERGY: 1342400 775.4035 2103.3796 1920.7781 98.4959 -206629.0374 18137.9792 0.0000 0.0000 33982.9012 -149610.1000 296.7811 -183593.0012 -149512.5923 298.8048 -106.6053 -71.5299 558180.9465 8.3148 8.3362 PRESSURE: 1342600 -38.3694 127.861 -102.233 127.862 -37.0719 18.1656 -102.232 18.167 66.1755 GPRESSURE: 1342600 21.1856 299.668 -121.164 2.98341 -12.9952 4.43011 -115.946 25.3362 73.1437 PRESSAVG: 1342600 31.25 -4.52881 -6.97075 -4.5288 -37.2442 -23.8353 -6.97075 -23.8353 0.746265 GPRESSAVG: 1342600 32.2271 -4.49355 -6.73028 -3.5252 -38.4429 -23.9393 -8.03827 -24.9003 0.627572 TIMING: 1342600 CPU: 3891.86, 0.00289341/step Wall: 3891.86, 0.00289341/step, 2.93954 hours remaining, 210.085938 MB of memory in use. ENERGY: 1342600 787.3727 2124.9946 1917.9434 110.7497 -206727.4131 18027.4235 0.0000 0.0000 34183.0598 -149575.8694 298.5292 -183758.9292 -149482.1062 298.2690 -3.0886 27.1114 556606.5771 -1.7493 -1.8627 PRESSURE: 1342800 -382.297 35.7564 -96.737 35.7564 -120.805 41.6387 -96.7355 41.6392 -114.553 GPRESSURE: 1342800 -323.987 -38.7772 -65.5271 77.9051 -97.3662 55.0454 -59.1922 62.7982 -97.9567 PRESSAVG: 1342800 8.87429 -21.5373 1.8267 -21.5373 5.65862 -19.1343 1.82684 -19.1342 -10.9778 GPRESSAVG: 1342800 9.59736 -23.7222 1.8434 -22.1489 4.93426 -19.4236 3.63818 -18.9819 -10.9462 TIMING: 1342800 CPU: 3892.44, 0.00289795/step Wall: 3892.44, 0.00289795/step, 2.944 hours remaining, 210.085938 MB of memory in use. ENERGY: 1342800 737.2245 2058.1233 1934.9309 116.7038 -206034.6855 17641.9499 0.0000 0.0000 34056.3793 -149489.3738 297.4228 -183545.7530 -149382.6866 298.8109 -205.8847 -173.1032 559086.4643 1.1850 1.1951 PRESSURE: 1343000 51.502 -2.02104 20.8726 -2.02104 151.052 -79.0876 20.8727 -79.0883 -241.938 GPRESSURE: 1343000 58.0398 10.241 98.1106 17.0135 190.863 6.50277 7.66515 -121.43 -187.438 PRESSAVG: 1343000 42.958 -5.17442 35.7839 -5.1744 27.4127 1.05603 35.7838 1.0561 -44.6246 GPRESSAVG: 1343000 41.1299 -2.87444 35.6185 -5.88032 28.2479 2.53647 35.2713 1.68064 -44.186 TIMING: 1343000 CPU: 3893.02, 0.00290105/step Wall: 3893.02, 0.00290105/step, 2.94699 hours remaining, 210.085938 MB of memory in use. ENERGY: 1343000 737.2356 2076.4588 1951.2823 121.6458 -206238.3768 17895.3691 0.0000 0.0000 34159.3489 -149297.0364 298.3221 -183456.3853 -149202.9484 299.2757 -13.1282 20.4883 558467.7804 8.5820 8.3973 PRESSURE: 1343200 269.377 100.245 206.444 100.244 39.7241 81.4704 206.444 81.4688 249.92 GPRESSURE: 1343200 301.424 -16.9635 181.945 139.859 58.5415 72.7414 163.153 65.5777 282.667 PRESSAVG: 1343200 25.4724 -50.3554 43.7123 -50.3554 13.7673 -8.8323 43.7122 -8.83239 -37.6677 GPRESSAVG: 1343200 26.5005 -52.861 43.1911 -51.0462 14.2182 -10.3414 44.0958 -9.38282 -38.483 TIMING: 1343200 CPU: 3893.6, 0.00290751/step Wall: 3893.6, 0.00290751/step, 2.95339 hours remaining, 210.238281 MB of memory in use. ENERGY: 1343200 717.2013 2110.7405 1955.5611 107.9632 -206071.9377 17985.3808 0.0000 0.0000 34049.7446 -149145.3462 297.3649 -183195.0908 -149054.0873 299.3778 186.3404 214.2110 558818.1636 0.5240 0.7453 PRESSURE: 1343400 129.715 -163.376 -54.5189 -163.377 -172.12 -11.0045 -54.5185 -11.004 -32.3044 GPRESSURE: 1343400 155.15 -172.973 -30.3567 -145.417 -143.687 -102.331 -66.9612 4.5383 10.897 PRESSAVG: 1343400 33.5079 -51.2866 9.46928 -51.2866 -7.76224 -18.9731 9.46937 -18.9731 24.1765 GPRESSAVG: 1343400 33.701 -49.7598 10.3385 -51.033 -8.08935 -19.8223 6.99332 -19.7196 24.3086 TIMING: 1343400 CPU: 3894.19, 0.00291091/step Wall: 3894.19, 0.00291091/step, 2.95667 hours remaining, 210.238281 MB of memory in use. ENERGY: 1343400 750.8627 2077.9838 1944.2361 110.2072 -206144.0364 17905.0464 0.0000 0.0000 34200.4027 -149155.2975 298.6806 -183355.7001 -149058.7470 300.0654 -24.9031 7.4531 559587.2506 16.6407 16.6401 PRESSURE: 1343600 -115.746 31.901 125.32 31.9012 89.1657 135.454 125.321 135.452 -94.4859 GPRESSURE: 1343600 -89.1876 -66.0758 92.8035 127.227 163.08 63.0901 128.399 193.706 -101.871 PRESSAVG: 1343600 63.7083 -19.5882 -3.217 -19.5883 -8.11633 -19.1917 -3.21694 -19.1917 -38.4965 GPRESSAVG: 1343600 63.8093 -19.3769 -2.88939 -20.2602 -7.55909 -19.151 -3.13219 -17.1641 -39.361 TIMING: 1343600 CPU: 3894.77, 0.00289755/step Wall: 3894.77, 0.00289755/step, 2.94295 hours remaining, 210.238281 MB of memory in use. ENERGY: 1343600 792.6919 2116.3947 1913.1361 113.6733 -206511.4780 18046.2962 0.0000 0.0000 34318.2115 -149211.0742 299.7095 -183529.2858 -149114.7139 299.3879 -40.3555 -9.3263 557922.6651 5.6985 5.6298 PRESSURE: 1343800 -19.4229 -127.259 -45.4079 -127.258 52.6805 -11.076 -45.4072 -11.0778 23.0635 GPRESSURE: 1343800 -0.497609 -148.928 -120.961 -46.7237 61.71 -96.7451 0.425746 -6.40936 82.0545 PRESSAVG: 1343800 6.89115 -43.1027 55.9814 -43.1027 -5.17828 -28.0823 55.9814 -28.0824 25.9589 GPRESSAVG: 1343800 6.97022 -43.2805 55.5604 -41.4315 -5.54737 -27.3456 57.81 -29.6143 26.6065 TIMING: 1343800 CPU: 3895.34, 0.0028837/step Wall: 3895.34, 0.0028837/step, 2.92871 hours remaining, 210.238281 MB of memory in use. ENERGY: 1343800 730.3842 2093.7508 1938.8074 115.0260 -206330.3008 17824.3656 0.0000 0.0000 34465.5244 -149162.4423 300.9960 -183627.9667 -149068.4501 298.8211 18.7737 47.7556 557764.4235 9.2239 9.3431 PRESSURE: 1344000 226.598 -48.5194 -97.8148 -48.5207 -128.288 -179.608 -97.8145 -179.607 68.3593 GPRESSURE: 1344000 243.855 3.90374 -67.6051 1.61276 -97.5918 -142.074 -80.5765 -176.553 125.175 PRESSAVG: 1344000 -35.7167 1.18244 -7.78755 1.1824 -3.20851 -11.6804 -7.78766 -11.6805 71.2338 GPRESSAVG: 1344000 -35.4125 0.529331 -8.19425 0.856777 -3.47959 -11.3962 -6.93051 -12.8565 71.595 TIMING: 1344000 CPU: 3895.92, 0.00289789/step Wall: 3895.92, 0.00289789/step, 2.94297 hours remaining, 210.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1344000 733.5290 2149.3168 1947.4058 114.9845 -205947.9437 17744.0267 0.0000 0.0000 33973.4154 -149285.2656 296.6983 -183258.6810 -149185.7779 299.8473 55.5566 90.4792 556955.8539 10.7695 10.9010 PRESSURE: 1344200 96.4776 8.74745 -47.2632 8.74765 -151.305 -59.4496 -47.2638 -59.4486 47.9396 GPRESSURE: 1344200 138.233 -4.83682 -10.4514 -32.0234 -95.8456 74.3206 -45.8093 -77.2898 52.0983 PRESSAVG: 1344200 58.1264 1.24371 -27.9401 1.2437 -82.0701 1.81595 -27.9401 1.81607 21.6096 GPRESSAVG: 1344200 58.2555 2.41717 -27.6934 0.778539 -81.3874 1.08586 -27.7944 3.89139 20.4511 TIMING: 1344200 CPU: 3896.5, 0.00289261/step Wall: 3896.5, 0.00289261/step, 2.93745 hours remaining, 210.480469 MB of memory in use. ENERGY: 1344200 730.1787 2069.3367 1936.7098 111.2466 -206005.8698 17770.6884 0.0000 0.0000 34112.8259 -149274.8838 297.9158 -183387.7096 -149186.8417 298.3858 -2.2959 31.4952 557698.1480 -0.7781 -0.8936 LDB: ============= START OF LOAD BALANCING ============== 3899.89 LDB: ============== END OF LOAD BALANCING =============== 3899.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3899.89 LDB: ============= START OF LOAD BALANCING ============== 3900.18 LDB: Largest compute 4820 load 0.023734 is 20.1% of average load 0.117920 LDB: Average compute 0.001716 is 1.5% of average load 0.117920 LDB: TIME 3900.18 LOAD: AVG 0.11792 MAX 0.186676 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 3900.18 LOAD: AVG 0.11792 MAX 0.186676 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: TIME 3900.18 LOAD: AVG 0.11792 MAX 0.186676 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3900.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3900.19 PRESSURE: 1344400 17.0437 -0.049383 -80.922 -0.0487778 -203.784 52.0231 -80.9223 52.0232 -138.32 GPRESSURE: 1344400 46.5654 -22.5606 -99.9763 -26.4069 -164.194 -25.8662 -60.4578 124.171 -101.54 PRESSAVG: 1344400 39.7265 -35.5857 -15.5593 -35.5857 -75.8725 45.1535 -15.5593 45.1534 27.7503 GPRESSAVG: 1344400 39.3364 -36.3077 -15.1954 -35.5188 -75.8107 44.0037 -15.3883 45.2689 28.2084 TIMING: 1344400 CPU: 3897.09, 0.00295952/step Wall: 3897.09, 0.00295952/step, 3.00523 hours remaining, 208.359375 MB of memory in use. ENERGY: 1344400 758.5969 2128.0722 1920.1317 105.9096 -206183.1238 17785.1892 0.0000 0.0000 34303.0055 -149182.2186 299.5767 -183485.2241 -149086.2617 298.9390 -108.3536 -73.0560 558620.7950 -2.7985 -2.7553 PRESSURE: 1344600 -223.788 -44.2332 120.997 -44.2345 -159.786 -54.0674 120.997 -54.0682 -194.602 GPRESSURE: 1344600 -125.3 -39.7577 185.907 -52.9414 -223.674 -23.9062 46.1314 13.6604 -120.712 PRESSAVG: 1344600 15.8635 6.49225 -21.8542 6.49219 -13.5465 70.3542 -21.8541 70.3541 10.1477 GPRESSAVG: 1344600 15.8507 6.46832 -23.6574 7.44669 -14.31 71.6419 -22.6693 70.007 10.5425 TIMING: 1344600 CPU: 3897.67, 0.00290818/step Wall: 3897.67, 0.00290818/step, 2.95293 hours remaining, 208.429688 MB of memory in use. ENERGY: 1344600 763.6565 2047.8328 1921.8480 116.8525 -205719.9445 17493.5167 0.0000 0.0000 34425.2656 -148950.9725 300.6444 -183376.2380 -148860.4234 299.4684 -192.7251 -156.5620 556748.1500 4.1549 4.0277 PRESSURE: 1344800 77.1316 -81.2556 61.7287 -81.2557 -81.3689 140.563 61.7291 140.563 78.2742 GPRESSURE: 1344800 75.6207 -146.382 -22.8535 -82.787 -45.4197 133.854 121.394 142.611 129.78 PRESSAVG: 1344800 72.7608 -82.7772 -20.6119 -82.7772 -96.9699 55.5237 -20.6119 55.5237 17.2755 GPRESSAVG: 1344800 71.7204 -83.6356 -18.0757 -83.3692 -96.6942 55.1271 -19.9116 54.0304 17.8718 TIMING: 1344800 CPU: 3898.25, 0.0028914/step Wall: 3898.25, 0.0028914/step, 2.93574 hours remaining, 208.429688 MB of memory in use. ENERGY: 1344800 758.9923 2078.0043 1914.9956 119.2050 -205946.4526 17733.2545 0.0000 0.0000 34392.9249 -148949.0761 300.3620 -183342.0009 -148848.5143 299.5643 24.6790 53.3270 557047.3862 -2.3112 -2.3673 PRESSURE: 1345000 65.472 -259.127 -38.9112 -259.126 6.2724 -339.495 -38.9117 -339.496 -82.9816 GPRESSURE: 1345000 159.204 -140.083 3.81155 -204.382 -4.66006 -305.247 -82.8527 -362.378 -73.9883 PRESSAVG: 1345000 46.7535 -50.6897 36.6514 -50.6898 -36.9118 25.3394 36.6515 25.3394 -8.16472 GPRESSAVG: 1345000 47.9621 -49.2852 35.8727 -50.894 -36.8983 26.1907 34.597 23.9616 -9.3681 TIMING: 1345000 CPU: 3898.82, 0.00286012/step Wall: 3898.82, 0.00286012/step, 2.90382 hours remaining, 208.429688 MB of memory in use. ENERGY: 1345000 746.3624 2106.4794 1923.3224 114.6200 -206231.5233 17811.3941 0.0000 0.0000 34348.8759 -149180.4692 299.9773 -183529.3450 -149078.8416 299.1675 -3.7457 26.8518 557372.1324 0.5590 0.5652 PRESSURE: 1345200 -259.989 8.41398 -80.9466 8.41467 -108.451 31.6185 -80.9465 31.6181 -145.612 GPRESSURE: 1345200 -257.336 -35.2766 21.7231 -92.9651 -59.9956 15.3005 -97.098 86.5378 -99.8945 PRESSAVG: 1345200 27.024 -80.7381 -1.70927 -80.7381 1.49864 -48.3423 -1.7093 -48.3424 -9.50689 GPRESSAVG: 1345200 25.4049 -79.8476 0.0386002 -80.1903 1.97392 -47.6234 -2.60903 -47.94 -8.45243 TIMING: 1345200 CPU: 3899.4, 0.00289823/step Wall: 3899.4, 0.00289823/step, 2.94235 hours remaining, 208.429688 MB of memory in use. ENERGY: 1345200 763.2098 2111.2401 1943.4911 108.3407 -205801.7807 17651.2765 0.0000 0.0000 34260.3244 -148963.8981 299.2039 -183224.2226 -148868.4864 299.4999 -171.3506 -139.0753 559096.9493 6.3386 6.3088 PRESSURE: 1345400 -40.0737 15.1068 -155.654 15.108 -123.903 13.2413 -155.653 13.2413 27.0978 GPRESSURE: 1345400 -8.5018 11.9132 -153.389 -62.0267 -19.3614 106.41 -190.403 -64.4691 1.93939 PRESSAVG: 1345400 -33.2404 -45.9632 9.32838 -45.9631 25.1347 -7.15885 9.32846 -7.15875 13.7366 GPRESSAVG: 1345400 -31.5714 -46.8646 6.76759 -47.3115 24.3487 -9.56493 11.29 -6.36428 12.785 TIMING: 1345400 CPU: 3899.98, 0.00288512/step Wall: 3899.98, 0.00288512/step, 2.92888 hours remaining, 208.429688 MB of memory in use. ENERGY: 1345400 727.0400 2089.6663 1952.8036 121.6945 -205624.5951 17639.4430 0.0000 0.0000 34162.3473 -148931.6004 298.3483 -183093.9477 -148838.3743 299.2773 -45.6264 -8.6413 559209.6667 1.8769 1.8541 PRESSURE: 1345600 75.1498 98.9144 -78.7976 98.9156 367.145 -58.7628 -78.7977 -58.7643 -308.526 GPRESSURE: 1345600 155.143 50.8777 62.018 196.304 309.273 -79.6669 -147.177 14.0733 -226.377 PRESSAVG: 1345600 -38.5692 32.9461 6.67671 32.9461 19.9857 29.8435 6.67665 29.8434 17.5003 GPRESSAVG: 1345600 -38.2745 31.1817 6.1917 33.4397 20.0168 29.3494 7.87955 31.2026 17.2916 TIMING: 1345600 CPU: 3900.56, 0.00290314/step Wall: 3900.56, 0.00290314/step, 2.94701 hours remaining, 208.429688 MB of memory in use. ENERGY: 1345600 755.6416 2104.8162 1952.5809 127.6282 -206411.8566 17986.7831 0.0000 0.0000 34434.1971 -149050.2095 300.7224 -183484.4066 -148953.2972 299.3165 44.5894 79.3465 557699.1525 -0.3611 -0.3220 PRESSURE: 1345800 -47.8024 -117.063 -103.046 -117.062 -128.163 -171.259 -103.046 -171.257 -47.4011 GPRESSURE: 1345800 -77.4685 -77.311 -204.072 -114.207 -91.6188 -146.487 -43.1514 -178.288 45.2165 PRESSAVG: 1345800 -54.1781 10.8195 -14.2111 10.8195 10.8596 -4.58971 -14.2111 -4.58981 33.9027 GPRESSAVG: 1345800 -55.5213 11.5032 -12.0654 11.0335 11.7964 -3.64574 -16.7729 -5.48007 34.5523 TIMING: 1345800 CPU: 3901.14, 0.00291531/step Wall: 3901.14, 0.00291531/step, 2.95921 hours remaining, 208.429688 MB of memory in use. ENERGY: 1345800 742.5793 2122.6018 1938.2422 131.1317 -205923.3693 17580.1065 0.0000 0.0000 34091.7373 -149316.9704 297.7316 -183408.7077 -149220.7667 299.2305 -74.4554 -41.2903 558233.9879 -3.1386 -3.0576 PRESSURE: 1346000 109.055 -58.8731 -109.395 -58.873 -175.065 -73.1914 -109.396 -73.1907 -128.942 GPRESSURE: 1346000 126.183 45.5788 -39.3261 -154.042 -116.813 26.0185 -113.472 -188.88 -111.243 PRESSAVG: 1346000 34.2104 5.97908 -39.2135 5.97917 7.91244 11.5078 -39.2133 11.5079 -27.8621 GPRESSAVG: 1346000 34.5215 5.9191 -38.24 5.24427 7.92851 13.3642 -39.828 8.78857 -27.45 TIMING: 1346000 CPU: 3901.72, 0.00287898/step Wall: 3901.72, 0.00287898/step, 2.92216 hours remaining, 208.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1346000 747.0650 2132.4800 1948.2487 124.3982 -206690.1769 17908.3488 0.0000 0.0000 34397.5787 -149432.0576 300.4026 -183829.6363 -149333.9530 298.0242 -64.9838 -33.9579 557120.0995 4.7536 5.0000 PRESSURE: 1346200 -87.5516 -146.717 23.0462 -146.717 -296.489 -82.5432 23.0464 -82.5423 -177.434 GPRESSURE: 1346200 -31.8878 -211.583 -18.6719 -113.943 -260.866 -128.749 140.29 -32.5551 -170.696 PRESSAVG: 1346200 -62.874 9.03129 -17.916 9.03133 -17.7644 17.6378 -17.916 17.6378 96.4965 GPRESSAVG: 1346200 -62.4503 10.8774 -20.9306 7.63227 -17.4831 15.8468 -15.3565 18.4774 96.5237 TIMING: 1346200 CPU: 3902.3, 0.00288856/step Wall: 3902.3, 0.00288856/step, 2.93172 hours remaining, 208.429688 MB of memory in use. ENERGY: 1346200 751.9196 2079.2197 1978.4389 111.7967 -206127.5424 17650.1695 0.0000 0.0000 34215.0248 -149340.9733 298.8083 -183555.9981 -149249.1462 298.9590 -187.1580 -154.4833 556694.7793 5.2861 5.5301 PRESSURE: 1346400 -108.852 -26.8619 -42.33 -26.8626 -87.0753 67.8699 -42.3295 67.8703 -148.583 GPRESSURE: 1346400 -53.7616 53.6605 -53.3621 -198.736 -41.1621 59.2101 -59.7168 -9.67374 -158.668 PRESSAVG: 1346400 -3.67079 -38.9134 6.10845 -38.9134 -26.447 -18.9093 6.10843 -18.9094 31.8035 GPRESSAVG: 1346400 -3.26377 -40.7693 6.75664 -36.8767 -25.8499 -17.9046 6.15012 -19.1627 30.6858 TIMING: 1346400 CPU: 3902.88, 0.00288439/step Wall: 3902.88, 0.00288439/step, 2.92734 hours remaining, 208.429688 MB of memory in use. ENERGY: 1346400 759.3771 2125.4954 1960.1255 108.0400 -205958.3446 17538.1634 0.0000 0.0000 34242.0057 -149225.1375 299.0440 -183467.1432 -149129.4588 299.0358 -114.8369 -84.5306 556527.1920 0.5619 0.5241 PRESSURE: 1346600 -56.6128 26.0669 80.57 26.0664 25.7912 -324.206 80.5695 -324.206 -208.582 GPRESSURE: 1346600 -81.0604 5.82191 60.464 1.54885 51.9926 -262.244 149.965 -222.964 -128.138 PRESSAVG: 1346600 -3.00748 -5.2795 53.6821 -5.27948 4.88001 -37.1447 53.6821 -37.1447 3.67815 GPRESSAVG: 1346600 -4.52271 -5.37236 54.4721 -6.03593 4.69957 -37.9545 52.8109 -36.5729 5.18625 TIMING: 1346600 CPU: 3903.45, 0.00286598/step Wall: 3903.45, 0.00286598/step, 2.90849 hours remaining, 208.429688 MB of memory in use. ENERGY: 1346600 769.6295 2135.1158 1995.4577 126.5807 -206027.3678 17759.4229 0.0000 0.0000 34263.1559 -148978.0054 299.2287 -183241.1613 -148887.7537 298.9077 -79.8011 -52.4019 558487.0383 1.8502 1.7877 PRESSURE: 1346800 -124.839 -61.3423 29.5573 -61.3418 -225.249 75.4543 29.5573 75.4552 -233.139 GPRESSURE: 1346800 -149.047 -119.868 20.6681 76.827 -134.977 91.285 39.9869 132.121 -204.646 PRESSAVG: 1346800 10.6948 -34.7564 -9.17078 -34.7564 92.2867 -76.1927 -9.17075 -76.1927 -87.3322 GPRESSAVG: 1346800 10.4253 -34.934 -9.18517 -34.0422 92.0005 -76.6407 -9.03135 -76.6022 -87.1227 TIMING: 1346800 CPU: 3904.03, 0.00288885/step Wall: 3904.03, 0.00288885/step, 2.93154 hours remaining, 208.429688 MB of memory in use. ENERGY: 1346800 779.8693 2077.4168 1956.4381 120.4518 -206212.9518 17771.1574 0.0000 0.0000 34590.3931 -148917.2253 302.0865 -183507.6184 -148820.9811 300.0807 -194.4090 -162.8900 559375.9780 5.2164 5.1010 PRESSURE: 1347000 -12.5288 35.2331 118.487 35.2334 5.35009 -56.7442 118.487 -56.7439 388.462 GPRESSURE: 1347000 68.172 44.4296 86.5316 30.7756 45.3564 -47.4899 117.823 -48.9294 378.808 PRESSAVG: 1347000 -1.91471 -53.3831 -48.9154 -53.3831 -18.4253 -44.9956 -48.9154 -44.9954 14.7524 GPRESSAVG: 1347000 -1.76277 -52.7765 -48.3284 -53.5375 -16.681 -46.2002 -49.869 -43.3161 13.0238 TIMING: 1347000 CPU: 3904.6, 0.00288211/step Wall: 3904.6, 0.00288211/step, 2.92454 hours remaining, 208.429688 MB of memory in use. ENERGY: 1347000 752.7900 2103.0844 1936.6308 119.5927 -206363.7573 18083.5630 0.0000 0.0000 34326.9758 -149041.1207 299.7860 -183368.0965 -148937.9259 299.8007 127.0944 164.1122 559151.3596 -1.8625 -1.8067 PRESSURE: 1347200 -270.781 28.1529 -61.7496 28.1526 -100.055 -15.8491 -61.7484 -15.8488 -78.0893 GPRESSURE: 1347200 -182.886 -40.8445 2.28092 50.0396 -113.077 1.51541 -87.213 16.205 -52.0656 PRESSAVG: 1347200 -51.558 14.6463 28.5404 14.6462 -13.1532 -47.0152 28.5404 -47.0151 42.1034 GPRESSAVG: 1347200 -50.1051 14.4537 28.0961 15.2728 -14.41 -46.913 29.5014 -47.4407 41.8923 TIMING: 1347200 CPU: 3905.18, 0.00288226/step Wall: 3905.18, 0.00288226/step, 2.92454 hours remaining, 208.429688 MB of memory in use. ENERGY: 1347200 769.6016 2091.6762 1965.3536 108.7435 -206194.9448 17748.0780 0.0000 0.0000 34361.6454 -149149.8465 300.0888 -183511.4919 -149043.2335 299.4606 -149.6419 -116.0097 558407.5970 -7.5359 -7.5409 PRESSURE: 1347400 -17.4624 -33.5031 33.3864 -33.504 -32.3241 -26.4749 33.3888 -26.4756 -212.02 GPRESSURE: 1347400 42.7682 -24.5782 -16.9585 -62.4201 -43.0619 -17.9102 58.1675 -93.0316 -170.635 PRESSAVG: 1347400 -9.29538 -20.6032 33.1274 -20.6033 -5.09895 24.7656 33.1274 24.7656 -5.476 GPRESSAVG: 1347400 -9.75412 -20.4831 33.75 -20.6506 -5.04304 24.863 32.979 22.983 -5.33508 TIMING: 1347400 CPU: 3905.76, 0.00288612/step Wall: 3905.76, 0.00288612/step, 2.92829 hours remaining, 208.429688 MB of memory in use. ENERGY: 1347400 760.0068 2144.0694 1941.6490 105.9708 -206096.2095 17829.4804 0.0000 0.0000 34273.5025 -149041.5306 299.3190 -183315.0331 -148948.4588 300.0273 -87.2689 -56.9761 557795.7059 -6.6234 -6.7107 PRESSURE: 1347600 48.4749 -178.157 -53.3672 -178.157 -44.4385 86.2088 -53.3682 86.2082 21.5246 GPRESSURE: 1347600 62.3366 -152.398 -34.2533 -272.476 41.5549 59.2829 18.7971 107.712 30.1295 PRESSAVG: 1347600 49.4431 -28.2371 -5.152 -28.2371 7.09344 26.6903 -5.15205 26.6903 8.01527 GPRESSAVG: 1347600 49.6977 -28.5748 -7.42184 -28.7229 6.48296 25.6987 -2.8873 29.8903 8.01211 TIMING: 1347600 CPU: 3906.33, 0.0028724/step Wall: 3906.33, 0.0028724/step, 2.91421 hours remaining, 208.429688 MB of memory in use. ENERGY: 1347600 727.8026 2103.3546 1934.8153 122.8703 -206147.0524 17675.1839 0.0000 0.0000 34339.6821 -149243.3435 299.8970 -183583.0257 -149143.0581 299.9691 8.5203 44.6737 556142.4623 21.5173 21.3976 PRESSURE: 1347800 -52.3777 30.6648 -60.0222 30.6655 -129.08 -56.0181 -60.0212 -56.0174 -20.5307 GPRESSURE: 1347800 37.8612 -17.8821 -113.929 17.0164 -107.315 -83.2436 15.4286 -36.615 -23.4752 PRESSAVG: 1347800 74.7653 -37.403 23.8287 -37.4029 1.15641 41.7578 23.8287 41.7577 -42.846 GPRESSAVG: 1347800 74.426 -37.3538 26.0603 -36.4692 1.49013 42.9659 20.0504 39.5856 -42.7035 TIMING: 1347800 CPU: 3906.91, 0.00288407/step Wall: 3906.91, 0.00288407/step, 2.92589 hours remaining, 208.429688 MB of memory in use. ENERGY: 1347800 757.2336 2147.1612 1935.5082 118.9998 -206185.0216 17817.0072 0.0000 0.0000 34097.4502 -149311.6614 297.7815 -183409.1116 -149212.5006 299.1993 -67.3294 -30.9763 556577.0195 11.0252 11.0709 PRESSURE: 1348000 183.83 232.806 -99.0162 232.807 15.2036 77.2915 -99.0172 77.2921 242.007 GPRESSURE: 1348000 198.158 180.711 -50.1693 261.211 93.3531 30.2414 -84.99 130.43 264.829 PRESSAVG: 1348000 23.9542 34.1357 7.72783 34.1357 38.907 25.6046 7.72786 25.6046 27.1455 GPRESSAVG: 1348000 24.242 34.8251 7.90736 33.9931 38.745 24.6549 8.94807 27.3332 27.1804 TIMING: 1348000 CPU: 3907.49, 0.00289981/step Wall: 3907.49, 0.00289981/step, 2.94169 hours remaining, 208.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1348000 750.6609 2130.0171 1924.6458 105.4104 -206464.9198 18034.4056 0.0000 0.0000 34167.6070 -149352.1729 298.3942 -183519.7799 -149254.9779 298.8446 147.0134 185.4466 556849.0111 30.0023 30.0558 PRESSURE: 1348200 89.0639 -160.977 -106.411 -160.977 57.4709 -92.3912 -106.41 -92.3924 54.899 GPRESSURE: 1348200 123.618 -155.066 -60.2331 -265.38 97.4781 -90.6088 -119.762 21.0503 75.1908 PRESSAVG: 1348200 4.95035 48.0387 -12.3949 48.0388 -10.794 -12.0015 -12.3949 -12.0014 47.8304 GPRESSAVG: 1348200 5.62457 47.341 -11.3432 48.3428 -11.5546 -11.3548 -13.595 -11.9597 48.1195 TIMING: 1348200 CPU: 3908.07, 0.00289612/step Wall: 3908.07, 0.00289612/step, 2.93779 hours remaining, 208.429688 MB of memory in use. ENERGY: 1348200 741.5984 2046.4466 1941.7151 109.8724 -206168.3455 17697.9487 0.0000 0.0000 34284.0359 -149346.7284 299.4110 -183630.7642 -149241.6902 299.0992 67.1446 98.7623 556529.3222 13.9956 14.0632 LDB: ============= START OF LOAD BALANCING ============== 3911.45 LDB: ============== END OF LOAD BALANCING =============== 3911.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3911.46 LDB: ============= START OF LOAD BALANCING ============== 3911.74 LDB: Largest compute 4822 load 0.024763 is 21.0% of average load 0.118039 LDB: Average compute 0.001705 is 1.4% of average load 0.118039 LDB: TIME 3911.75 LOAD: AVG 0.118039 MAX 0.185479 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.16 MB LDB: TIME 3911.75 LOAD: AVG 0.118039 MAX 0.185479 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.16 MB LDB: TIME 3911.75 LOAD: AVG 0.118039 MAX 0.185479 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3911.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3911.75 PRESSURE: 1348400 -147.125 29.8058 -58.7848 29.8072 -59.1059 -53.8598 -58.7841 -53.8585 -261.048 GPRESSURE: 1348400 -166.796 -4.17838 -73.8194 18.6274 1.53639 -120.642 -35.3819 -83.2583 -221.91 PRESSAVG: 1348400 10.2954 -48.9181 -11.2733 -48.918 5.00892 3.8152 -11.2734 3.8152 21.965 GPRESSAVG: 1348400 9.84108 -48.9956 -11.4537 -48.6184 5.16254 2.56907 -11.0644 4.74642 21.9813 TIMING: 1348400 CPU: 3908.66, 0.00295378/step Wall: 3908.66, 0.00295378/step, 2.99612 hours remaining, 207.589844 MB of memory in use. ENERGY: 1348400 761.5348 2153.5040 1939.1697 117.5196 -206447.2256 17641.6952 0.0000 0.0000 34435.4741 -149398.3283 300.7336 -183833.8024 -149298.7937 299.2534 -155.7595 -129.0568 556871.7742 12.4231 12.3283 PRESSURE: 1348600 97.3341 137.605 -224.246 137.605 -96.9598 97.7971 -224.244 97.7972 -11.2489 GPRESSURE: 1348600 120.249 126.393 -217.901 82.6172 -45.4454 130.618 -225.107 170.184 16.3649 PRESSAVG: 1348600 33.8227 37.9577 -27.0098 37.9577 -40.8928 45.0144 -27.0098 45.0144 8.74367 GPRESSAVG: 1348600 34.215 36.5881 -30.4665 37.972 -40.6564 44.8759 -24.0271 43.4545 8.35352 TIMING: 1348600 CPU: 3909.23, 0.00287846/step Wall: 3909.23, 0.00287846/step, 2.91956 hours remaining, 207.824219 MB of memory in use. ENERGY: 1348600 774.9732 2123.4421 1936.7221 108.1574 -206391.3910 17849.5763 0.0000 0.0000 34247.3162 -149351.2038 299.0903 -183598.5199 -149252.3734 299.0705 -3.6249 30.3895 556949.0154 0.5578 0.6374 PRESSURE: 1348800 58.7331 69.7654 -114.032 69.7651 42.1958 47.2394 -114.033 47.2395 -188.382 GPRESSURE: 1348800 70.0572 35.0437 -93.4127 85.1462 58.1443 31.1601 -182.004 -19.4096 -126.785 PRESSAVG: 1348800 -17.4403 33.847 -18.9 33.847 -53.7217 12.2975 -18.9001 12.2975 28.349 GPRESSAVG: 1348800 -17.6371 34.5584 -16.7715 32.5462 -53.7371 12.7956 -19.6022 11.2606 28.5116 TIMING: 1348800 CPU: 3909.81, 0.0028717/step Wall: 3909.81, 0.0028717/step, 2.91254 hours remaining, 207.824219 MB of memory in use. ENERGY: 1348800 761.4894 2133.4418 1943.8387 111.1346 -205952.1163 17799.5816 0.0000 0.0000 34070.9313 -149131.6989 297.5499 -183202.6302 -149039.9060 298.7114 -29.1511 0.4721 556650.7749 -14.2710 -14.2875 PRESSURE: 1349000 -83.2004 -49.406 -16.2236 -49.4047 -86.7499 114.9 -16.2242 114.898 -150.231 GPRESSURE: 1349000 -17.7508 -1.50328 15.0568 10.7043 -56.4411 -41.7601 -62.237 215.953 -141.142 PRESSAVG: 1349000 -8.47013 19.8069 -1.63362 19.8069 -14.294 6.87414 -1.63366 6.87422 11.757 GPRESSAVG: 1349000 -7.06868 19.7699 -3.71538 19.2264 -15.1758 5.00166 0.711208 7.76701 10.9348 TIMING: 1349000 CPU: 3910.38, 0.00287634/step Wall: 3910.38, 0.00287634/step, 2.91708 hours remaining, 207.824219 MB of memory in use. ENERGY: 1349000 748.6714 2126.1844 1962.6094 122.9419 -206102.6492 17733.9048 0.0000 0.0000 34282.7572 -149125.5802 299.3998 -183408.3373 -149029.0850 299.3540 -106.7271 -71.7781 558139.7086 -3.6691 -3.7699 PRESSURE: 1349200 40.1558 24.4727 72.788 24.4719 106.343 -19.9622 72.7879 -19.9625 -219.828 GPRESSURE: 1349200 22.0075 45.6346 150.326 -6.74835 113.793 -46.5705 48.7065 -54.7676 -139.546 PRESSAVG: 1349200 -30.7816 -2.02254 31.3491 -2.02263 44.0235 33.1904 31.3492 33.1905 23.4606 GPRESSAVG: 1349200 -31.977 -1.0538 34.0422 0.236474 44.8365 35.6793 27.8253 34.4745 23.7772 TIMING: 1349200 CPU: 3910.96, 0.00289593/step Wall: 3910.96, 0.00289593/step, 2.93679 hours remaining, 207.824219 MB of memory in use. ENERGY: 1349200 735.1372 2056.7115 1947.8116 120.9755 -206154.3453 17811.6433 0.0000 0.0000 34360.2610 -149121.8053 300.0767 -183482.0662 -149021.0366 299.9639 -24.4432 -1.2484 557271.1337 12.2342 12.2122 PRESSURE: 1349400 -7.83415 20.8931 147.752 20.8931 -29.149 -123.978 147.752 -123.979 -79.6265 GPRESSURE: 1349400 9.14895 38.5381 100.729 -23.9882 7.32125 -88.0223 153.047 -99.574 -49.1272 PRESSAVG: 1349400 -55.9241 9.70471 -54.6628 9.70474 61.3371 20.5269 -54.6627 20.5269 -38.5203 GPRESSAVG: 1349400 -55.2331 8.2585 -55.9771 9.3011 61.0218 19.1222 -52.6432 20.9522 -38.6684 TIMING: 1349400 CPU: 3911.54, 0.00289504/step Wall: 3911.54, 0.00289504/step, 2.93573 hours remaining, 207.824219 MB of memory in use. ENERGY: 1349400 730.3062 2119.2169 1953.6439 97.1678 -206109.3129 17715.6517 0.0000 0.0000 34331.4195 -149161.9069 299.8248 -183493.3264 -149072.6021 299.4846 -38.8699 -10.8857 557364.8948 -11.0358 -10.9599 PRESSURE: 1349600 82.1224 40.7882 -190.435 40.7889 -373.713 -3.71267 -190.435 -3.71259 87.5535 GPRESSURE: 1349600 117.547 11.3424 -263.285 118.182 -351.153 145.709 -121.16 -102.271 120.609 PRESSAVG: 1349600 -1.66908 13.8445 13.2218 13.8446 -42.9559 -1.89327 13.222 -1.89324 40.3147 GPRESSAVG: 1349600 -3.24305 16.203 14.8712 13.6464 -44.1916 0.150998 10.3817 -3.90034 42.4219 TIMING: 1349600 CPU: 3912.12, 0.00288976/step Wall: 3912.12, 0.00288976/step, 2.93022 hours remaining, 207.824219 MB of memory in use. ENERGY: 1349600 744.9810 2093.3566 1942.9555 105.1786 -205991.6843 17755.4381 0.0000 0.0000 34199.3877 -149150.3867 298.6718 -183349.7745 -149055.6531 299.4187 -68.0124 -37.6658 557519.3128 -1.4368 -1.6709 PRESSURE: 1349800 -75.2706 137.223 -46.5617 137.223 129.973 -190.832 -46.5616 -190.832 -194.611 GPRESSURE: 1349800 -2.15288 213.097 -80.023 75.6236 85.0956 -172.952 5.0806 -201.469 -138.427 PRESSAVG: 1349800 -10.0885 -8.73752 -6.30192 -8.73751 26.3383 52.733 -6.30192 52.733 -17.5176 GPRESSAVG: 1349800 -9.67865 -9.91315 -6.30663 -9.97559 27.8504 52.6017 -5.51475 52.0799 -19.259 TIMING: 1349800 CPU: 3912.7, 0.00288535/step Wall: 3912.7, 0.00288535/step, 2.92558 hours remaining, 207.824219 MB of memory in use. ENERGY: 1349800 760.3789 2149.0750 1925.7538 104.9277 -205800.0644 17747.2703 0.0000 0.0000 34143.7082 -148968.9506 298.1855 -183112.6588 -148870.6950 299.4636 -46.6363 -18.4947 558813.2579 -0.4226 -0.3624 PRESSURE: 1350000 -136.993 -336.174 33.0678 -336.173 1.03403 -31.6711 33.0685 -31.6711 -207.341 GPRESSURE: 1350000 -105.092 -284.695 110.909 -343.596 20.887 55.1465 29.5569 -110.803 -172.753 PRESSAVG: 1350000 -10.9963 18.6723 18.2642 18.6723 47.2792 20.298 18.2642 20.298 -28.9266 GPRESSAVG: 1350000 -11.5824 18.1225 17.7264 19.48 47.441 18.5348 17.4423 21.3535 -28.6318 TIMING: 1350000 CPU: 3913.27, 0.00289432/step Wall: 3913.27, 0.00289432/step, 2.93452 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1350000 731.0434 2143.6499 1949.6542 104.8463 -205993.7519 17730.4227 0.0000 0.0000 34306.2062 -149027.9292 299.6046 -183334.1353 -148927.9713 298.6982 -114.4332 -85.6526 560012.1470 2.4521 2.4089 PRESSURE: 1350200 254.775 -76.1316 185.578 -76.1317 211.116 -17.9096 185.58 -17.9095 255.604 GPRESSURE: 1350200 308.027 -28.5982 149.584 -126.357 292.464 15.1806 230.716 7.63384 227.908 PRESSAVG: 1350200 -33.261 -24.5016 51.0758 -24.5016 -5.73932 31.8382 51.0759 31.8382 35.1766 GPRESSAVG: 1350200 -32.5454 -25.471 47.5931 -23.7281 -6.04657 32.9062 53.2215 33.4181 35.1788 TIMING: 1350200 CPU: 3913.85, 0.00287669/step Wall: 3913.85, 0.00287669/step, 2.91649 hours remaining, 207.824219 MB of memory in use. ENERGY: 1350200 711.3110 2146.3196 1928.7069 119.0559 -206246.7111 17929.8298 0.0000 0.0000 34321.5166 -149089.9714 299.7383 -183411.4880 -148990.5746 299.0197 240.4981 276.1330 557538.2675 -1.2746 -1.1377 PRESSURE: 1350400 17.0124 143.689 -91.4801 143.691 174.834 -133.661 -91.4799 -133.661 99.9613 GPRESSURE: 1350400 55.5431 118.326 12.5308 106.535 196.453 -84.9495 -179.062 -189.172 131.948 PRESSAVG: 1350400 33.5261 65.5736 10.4191 65.5737 -2.7033 -24.3523 10.4192 -24.3523 -40.2182 GPRESSAVG: 1350400 34.3191 67.1997 13.3001 63.6877 -3.48734 -25.0971 9.03774 -24.351 -40.1131 TIMING: 1350400 CPU: 3914.43, 0.00287834/step Wall: 3914.43, 0.00287834/step, 2.918 hours remaining, 207.824219 MB of memory in use. ENERGY: 1350400 736.3040 2110.9518 1976.4286 117.8737 -206315.2214 17948.6445 0.0000 0.0000 34284.0016 -149141.0170 299.4107 -183425.0187 -149041.5224 299.3478 97.2693 127.9814 558760.1671 -3.1318 -3.0938 PRESSURE: 1350600 -38.9963 41.7479 -20.3989 41.7475 210.209 16.6726 -20.3979 16.6717 52.3569 GPRESSURE: 1350600 -25.2261 117.085 -40.7822 53.0694 259.515 54.866 -41.3052 0.799768 83.6196 PRESSAVG: 1350600 16.8866 10.7427 -52.1539 10.7428 -36.6885 -0.173061 -52.1539 -0.173042 -0.799572 GPRESSAVG: 1350600 15.8896 8.81993 -51.9795 12.5577 -35.3069 1.10379 -52.4588 -0.858098 -0.440938 TIMING: 1350600 CPU: 3915, 0.00287739/step Wall: 3915, 0.00287739/step, 2.91687 hours remaining, 207.824219 MB of memory in use. ENERGY: 1350600 707.9281 2095.3768 1965.2504 120.4036 -206199.5478 17885.8835 0.0000 0.0000 34201.1860 -149223.5195 298.6875 -183424.7054 -149127.0205 298.9983 74.5233 105.9694 557890.3774 -6.8671 -6.6194 PRESSURE: 1350800 36.6319 188.704 118.187 188.702 45.5754 -71.7918 118.186 -71.7921 65.6607 GPRESSURE: 1350800 56.1774 200.261 80.6349 209.863 69.2689 -51.1964 138.771 -74.0868 112.397 PRESSAVG: 1350800 20.6731 59.1126 -50.224 59.1126 32.7475 15.2419 -50.2241 15.2418 -29.4089 GPRESSAVG: 1350800 21.5658 59.9474 -50.2694 57.1011 33.1535 14.5036 -50.5989 15.5375 -29.9071 TIMING: 1350800 CPU: 3915.58, 0.00287102/step Wall: 3915.58, 0.00287103/step, 2.91026 hours remaining, 207.824219 MB of memory in use. ENERGY: 1350800 757.8459 2131.1735 1964.7721 111.3475 -206304.6091 17885.5151 0.0000 0.0000 34313.6403 -149140.3147 299.6696 -183453.9550 -149041.9394 299.3017 49.2893 79.2812 557956.6183 8.0039 8.2707 PRESSURE: 1351000 -95.3203 60.9898 141.218 60.9886 -191.519 22.6676 141.216 22.6682 -0.227108 GPRESSURE: 1351000 -75.3401 42.9909 134.269 -46.7316 -179.721 59.6638 97.0918 10.1487 68.8963 PRESSAVG: 1351000 -91.0158 29.5837 15.183 29.5838 32.9611 12.6533 15.183 12.6533 29.5177 GPRESSAVG: 1351000 -91.6869 28.1325 14.3069 31.5588 33.4149 14.8904 16.4658 10.3986 29.5271 TIMING: 1351000 CPU: 3916.15, 0.00286845/step Wall: 3916.15, 0.00286845/step, 2.90749 hours remaining, 207.824219 MB of memory in use. ENERGY: 1351000 793.0950 2094.6681 1959.6151 98.5145 -206319.8956 17913.5304 0.0000 0.0000 34303.1167 -149157.3557 299.5776 -183460.4724 -149055.9407 299.2342 -95.6888 -62.0549 559193.5197 -9.5123 -9.5816 PRESSURE: 1351200 -130.892 129.198 -237.083 129.199 27.9925 -75.0361 -237.082 -75.0363 -72.9147 GPRESSURE: 1351200 -96.7439 181.436 -196.907 22.775 31.1182 -119.381 -184.221 -98.0841 -20.1256 PRESSAVG: 1351200 -12.1613 -18.3545 -40.6205 -18.3545 -1.15568 5.01816 -40.6204 5.01818 23.8478 GPRESSAVG: 1351200 -11.6782 -16.3926 -38.2838 -20.0974 -1.55899 3.33336 -44.0883 5.98992 23.7846 TIMING: 1351200 CPU: 3916.72, 0.00287352/step Wall: 3916.72, 0.00287352/step, 2.91247 hours remaining, 207.824219 MB of memory in use. ENERGY: 1351200 740.7759 2092.4459 1919.8679 131.0064 -205991.8166 17749.1217 0.0000 0.0000 34338.4744 -149020.1244 299.8864 -183358.5988 -148916.5794 299.8572 -58.6048 -28.5838 559053.0925 3.5103 3.5158 PRESSURE: 1351400 118.848 49.5915 -84.7378 49.5915 123.74 -11.7463 -84.7389 -11.7462 6.66042 GPRESSURE: 1351400 123.702 65.7791 -96.0098 62.9087 204.258 -13.7302 -64.479 -73.9194 7.41326 PRESSAVG: 1351400 -5.68565 -16.2869 -1.37345 -16.2868 25.7915 17.808 -1.37359 17.808 -52.4404 GPRESSAVG: 1351400 -5.68066 -17.598 -3.38028 -15.5693 26.3851 18.8575 1.98095 17.3458 -53.2306 TIMING: 1351400 CPU: 3917.3, 0.00286932/step Wall: 3917.3, 0.00286932/step, 2.90806 hours remaining, 207.824219 MB of memory in use. ENERGY: 1351400 749.8615 2154.5144 1937.0691 119.1262 -206232.2554 17961.5106 0.0000 0.0000 34288.3670 -149021.8065 299.4488 -183310.1735 -148919.4637 299.8113 83.0827 111.7910 559692.6622 -10.7782 -10.8421 PRESSURE: 1351600 155.144 72.3816 -95.842 72.3796 96.576 109.065 -95.8429 109.065 84.8562 GPRESSURE: 1351600 162.865 104.173 -13.5533 23.542 173.479 71.1569 -78.4258 106.038 98.4412 PRESSAVG: 1351600 -30.4369 118.077 22.4574 118.077 70.3505 6.36977 22.4573 6.36986 -56.5459 GPRESSAVG: 1351600 -29.6321 121.473 21.6495 115.933 69.0444 4.69901 20.7717 7.29315 -55.9261 TIMING: 1351600 CPU: 3917.87, 0.00286532/step Wall: 3917.87, 0.00286532/step, 2.90384 hours remaining, 207.824219 MB of memory in use. ENERGY: 1351600 749.4373 2120.2079 1974.0497 109.1452 -206564.5758 18093.6290 0.0000 0.0000 34583.2584 -148934.8484 302.0242 -183518.1068 -148840.9645 299.8497 112.1920 144.9286 558825.3943 -5.5441 -5.5046 PRESSURE: 1351800 130.724 79.9122 -5.29219 79.9123 -206.18 88.6715 -5.29184 88.6723 268.179 GPRESSURE: 1351800 143.659 100.807 -108.116 -6.86202 -116.889 150.881 19.6974 108.76 264.12 PRESSAVG: 1351800 22.6359 16.9846 -1.5962 16.9846 59.2488 10.6508 -1.5961 10.6509 -66.2172 GPRESSAVG: 1351800 21.4201 13.6582 -1.11705 18.3279 59.4182 12.221 -0.481424 10.9493 -65.4071 TIMING: 1351800 CPU: 3918.45, 0.00288216/step Wall: 3918.45, 0.00288216/step, 2.92075 hours remaining, 207.824219 MB of memory in use. ENERGY: 1351800 759.4454 2128.7127 1966.0961 111.6210 -206148.6907 17736.3365 0.0000 0.0000 34570.5303 -148875.9487 301.9130 -183446.4790 -148771.5239 299.7636 64.2411 96.9633 556691.8621 5.2225 5.1437 PRESSURE: 1352000 190.605 126.975 38.2543 126.976 47.3254 28.7553 38.2535 28.7566 127.286 GPRESSURE: 1352000 236.312 67.3183 -9.00897 204.85 98.2104 48.7655 146.381 27.8528 121.262 PRESSAVG: 1352000 20.4407 39.1925 33.8676 39.1925 19.7902 1.26001 33.8676 1.25999 -31.7141 GPRESSAVG: 1352000 19.8851 40.8532 33.2803 38.1933 19.7822 1.97088 31.5322 0.764096 -31.5296 TIMING: 1352000 CPU: 3919.02, 0.00287302/step Wall: 3919.02, 0.00287302/step, 2.91133 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1352000 750.6557 2126.1890 1982.7780 119.8554 -206122.0655 17956.6407 0.0000 0.0000 34423.9398 -148762.0070 300.6328 -183185.9468 -148660.5789 301.1227 121.7387 151.9281 557061.1903 2.8389 2.7126 PRESSURE: 1352200 -33.4424 41.442 -60.6024 41.4434 -227.089 -172.852 -60.6021 -172.853 75.3707 GPRESSURE: 1352200 5.38086 110.729 -110.574 89.9612 -204.333 -107.873 -53.2737 -234.042 118.139 PRESSAVG: 1352200 15.9513 21.2686 12.8441 21.2685 -43.1184 -4.78613 12.8441 -4.7862 32.5381 GPRESSAVG: 1352200 16.9561 20.7645 12.5821 22.4265 -43.1327 -9.71402 14.9593 -3.91849 31.6985 TIMING: 1352200 CPU: 3919.59, 0.00286626/step Wall: 3919.59, 0.00286626/step, 2.90432 hours remaining, 207.824219 MB of memory in use. ENERGY: 1352200 757.9847 2123.5544 1922.0162 106.3094 -205704.3786 17552.6614 0.0000 0.0000 34464.0927 -148777.7598 300.9835 -183241.8525 -148685.3366 301.0300 -61.7203 -26.9378 556473.8332 1.7903 1.8406 LDB: ============= START OF LOAD BALANCING ============== 3922.98 LDB: ============== END OF LOAD BALANCING =============== 3922.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3922.98 LDB: ============= START OF LOAD BALANCING ============== 3923.27 LDB: Largest compute 4822 load 0.023815 is 20.2% of average load 0.117959 LDB: Average compute 0.001717 is 1.5% of average load 0.117959 LDB: TIME 3923.27 LOAD: AVG 0.117959 MAX 0.181595 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 3923.27 LOAD: AVG 0.117959 MAX 0.181595 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.113 MB LDB: TIME 3923.27 LOAD: AVG 0.117959 MAX 0.181595 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.113 MB LDB: ============== END OF LOAD BALANCING =============== 3923.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3923.28 PRESSURE: 1352400 12.9281 17.9096 24.645 17.9088 0.361975 -150.272 24.6448 -150.273 -51.425 GPRESSURE: 1352400 -0.00451314 19.6898 -43.8892 54.9706 104.957 -218.698 31.816 -159.178 -35.8582 PRESSAVG: 1352400 59.5763 -17.1327 -45.935 -17.1327 -20.2415 -16.6317 -45.9351 -16.6318 2.38041 GPRESSAVG: 1352400 59.3279 -16.5437 -45.9044 -16.747 -19.576 -14.0604 -46.5834 -15.453 2.09747 TIMING: 1352400 CPU: 3920.18, 0.00293478/step Wall: 3920.18, 0.00293478/step, 2.97358 hours remaining, 208.839844 MB of memory in use. ENERGY: 1352400 796.1369 2121.7721 1921.4780 116.5322 -205866.1385 17732.1405 0.0000 0.0000 34067.2860 -149110.7928 297.5181 -183178.0788 -149012.5639 300.4214 -12.7116 23.0314 556166.1482 13.9051 13.9498 PRESSURE: 1352600 -67.449 102.977 -37.7424 102.979 -128.817 -63.8831 -37.7426 -63.8818 114.363 GPRESSURE: 1352600 -15.2135 33.4776 -26.4452 144.6 -157.145 5.93488 23.8562 -25.7249 178.719 PRESSAVG: 1352600 1.0295 21.3556 -13.6447 21.3557 44.919 -32.7304 -13.6448 -32.7303 -18.1006 GPRESSAVG: 1352600 1.13471 21.7949 -12.9037 20.2126 45.1593 -31.0735 -14.3346 -34.0395 -18.2292 TIMING: 1352600 CPU: 3920.76, 0.00289492/step Wall: 3920.76, 0.00289492/step, 2.93304 hours remaining, 208.839844 MB of memory in use. ENERGY: 1352600 728.3598 2102.8760 1945.0297 130.5171 -206027.5479 17589.6545 0.0000 0.0000 34354.0616 -149177.0491 300.0226 -183531.1107 -149083.4927 300.0498 -27.3010 2.1202 558044.5254 9.2826 9.3550 PRESSURE: 1352800 77.8206 -131.969 0.864528 -131.969 372.102 -121.799 0.863885 -121.799 178.706 GPRESSURE: 1352800 170.979 -80.2402 -13.5662 -68.7604 373.162 -128.858 53.5407 -93.502 193.833 PRESSAVG: 1352800 18.9469 51.0779 22.8896 51.0778 21.4299 46.426 22.8896 46.426 -19.7222 GPRESSAVG: 1352800 18.453 50.4999 23.8511 52.1805 20.941 43.5463 22.9532 45.9964 -18.8603 TIMING: 1352800 CPU: 3921.34, 0.00289421/step Wall: 3921.34, 0.00289421/step, 2.93216 hours remaining, 208.839844 MB of memory in use. ENERGY: 1352800 734.7264 2132.1006 1980.0661 114.6152 -206496.1289 18202.9992 0.0000 0.0000 34269.6120 -149062.0094 299.2850 -183331.6214 -148964.9661 299.8657 209.5429 245.9914 558316.1207 6.8849 6.8446 PRESSURE: 1353000 -141.269 79.4633 -243.258 79.4637 -223.008 6.92888 -243.258 6.92899 -197.935 GPRESSURE: 1353000 -103.43 83.5048 -286.21 52.4493 -212.565 31.1206 -238.938 -117.29 -140.352 PRESSAVG: 1353000 -4.04407 13.0692 -61.9629 13.0692 9.28074 -24.2653 -61.9629 -24.2654 14.4387 GPRESSAVG: 1353000 -3.49527 12.383 -63.7739 12.0179 8.04141 -21.432 -59.9603 -24.9112 14.8171 TIMING: 1353000 CPU: 3921.92, 0.00288795/step Wall: 3921.92, 0.00288795/step, 2.92566 hours remaining, 208.839844 MB of memory in use. ENERGY: 1353000 764.9215 2123.4453 1941.7854 108.9152 -205980.2527 17723.6954 0.0000 0.0000 34384.1918 -148933.2982 300.2857 -183317.4900 -148835.2434 299.6232 -187.4041 -152.1155 559861.3205 6.5585 6.4544 PRESSURE: 1353200 -198.394 -53.9094 -124.752 -53.9094 -145.632 16.8378 -124.752 16.8378 -125.764 GPRESSURE: 1353200 -141.889 -113.769 -96.4465 -60.1124 -120 -18.1261 -114.736 -64.7885 -115.033 PRESSAVG: 1353200 -58.6777 24.4575 -27.2339 24.4576 64.1063 -29.0522 -27.2339 -29.0521 23.984 GPRESSAVG: 1353200 -58.0727 25.3772 -25.8936 25.714 65.1628 -29.9544 -29.5153 -26.551 22.6301 TIMING: 1353200 CPU: 3922.5, 0.00289946/step Wall: 3922.5, 0.00289946/step, 2.93715 hours remaining, 209.042969 MB of memory in use. ENERGY: 1353200 756.1859 2092.2178 1926.2891 106.3913 -205390.4608 17389.4540 0.0000 0.0000 34365.0053 -148754.9174 300.1181 -183119.9227 -148657.0870 300.5415 -156.5965 -125.6406 557799.8917 9.8042 9.9067 PRESSURE: 1353400 86.6111 13.8075 102.744 13.8075 4.64789 -192.637 102.745 -192.636 -102.682 GPRESSURE: 1353400 42.0316 -63.6041 48.965 50.39 64.6303 -181.769 145.993 -148.051 -34.7323 PRESSAVG: 1353400 -7.25759 -17.7817 17.9865 -17.7817 -40.5047 -0.534746 17.9865 -0.534696 11.978 GPRESSAVG: 1353400 -7.98651 -18.9795 17.2779 -17.7304 -40.8625 -2.71906 19.1004 -0.790975 13.0014 TIMING: 1353400 CPU: 3923.08, 0.00289663/step Wall: 3923.08, 0.00289663/step, 2.93412 hours remaining, 209.042969 MB of memory in use. ENERGY: 1353400 744.8370 2124.5051 1935.9695 107.6409 -205965.9066 17801.5953 0.0000 0.0000 34364.6591 -148886.6996 300.1151 -183251.3587 -148791.0492 299.9376 -3.8077 23.9765 557949.7099 -11.9281 -11.9492 PRESSURE: 1353600 -46.0025 -121.576 -130.406 -121.575 -22.8929 16.7879 -130.407 16.7884 -49.1328 GPRESSURE: 1353600 -69.9538 -157.139 -93.5266 -210.376 32.5711 38.6845 -66.1855 32.323 14.0352 PRESSAVG: 1353600 47.5421 -10.6003 -44.9211 -10.6003 42.5585 -65.3179 -44.9211 -65.3179 -12.9286 GPRESSAVG: 1353600 47.6248 -10.1838 -45.2265 -12.2853 43.2345 -61.7718 -44.444 -67.3626 -13.6295 TIMING: 1353600 CPU: 3923.65, 0.00286378/step Wall: 3923.65, 0.00286378/step, 2.90069 hours remaining, 209.042969 MB of memory in use. ENERGY: 1353600 729.3811 2106.7162 1919.4191 109.8347 -205726.1465 17687.2754 0.0000 0.0000 34344.8609 -148828.6591 299.9422 -183173.5200 -148737.9035 299.8566 -39.3427 -7.7825 558068.6367 25.7240 25.7433 PRESSURE: 1353800 -94.6982 -152.331 -43.4076 -152.331 -201.187 -25.1152 -43.4069 -25.1147 259.877 GPRESSURE: 1353800 -57.0364 -115.718 -72.5991 -100.871 -146.564 70.7148 -83.1205 -75.5065 252.26 PRESSAVG: 1353800 -46.4612 -54.827 -15.6984 -54.827 5.72937 -53.3411 -15.6983 -53.3411 15.3906 GPRESSAVG: 1353800 -46.2429 -55.3124 -14.1695 -52.6122 4.72208 -52.1724 -18.4404 -53.3879 16.5133 TIMING: 1353800 CPU: 3924.22, 0.00286202/step Wall: 3924.22, 0.00286202/step, 2.89875 hours remaining, 209.042969 MB of memory in use. ENERGY: 1353800 717.5411 2125.3537 1944.3335 110.4655 -206027.9029 17678.8350 0.0000 0.0000 34490.9941 -148960.3800 301.2184 -183451.3741 -148860.8181 300.2927 -12.0026 16.2201 557480.8784 -8.4471 -8.3358 PRESSURE: 1354000 116.219 68.7799 -247.712 68.7816 19.3 -29.9404 -247.711 -29.9407 224.905 GPRESSURE: 1354000 144.456 119.491 -211.51 37.105 73.1372 -5.27095 -225.606 -53.0103 240.956 PRESSAVG: 1354000 -28.8007 -28.3992 -44.676 -28.3991 -17.2038 31.3895 -44.676 31.3895 61.6406 GPRESSAVG: 1354000 -29.3098 -27.2351 -45.0526 -29.3896 -16.3407 29.5933 -44.0253 33.3745 61.1821 TIMING: 1354000 CPU: 3924.8, 0.00287602/step Wall: 3924.8, 0.00287602/step, 2.91277 hours remaining, 209.074219 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: 1354000 750.8846 2069.0440 1913.6369 112.2723 -206116.6332 17814.0929 0.0000 0.0000 34358.5363 -149098.1662 300.0616 -183456.7025 -149004.2426 300.2950 120.1415 152.8499 556385.1982 5.2120 5.1772 PRESSURE: 1354200 51.0401 -115.544 38.2849 -115.543 -137.041 28.1917 38.2841 28.1923 -408.724 GPRESSURE: 1354200 43.0398 -40.318 4.66264 -46.3418 -95.7512 52.7231 -11.5609 56.9183 -338.633 PRESSAVG: 1354200 1.85443 25.4445 -16.7433 25.4444 -33.9763 -29.419 -16.7435 -29.419 34.8811 GPRESSAVG: 1354200 2.49422 26.38 -17.9819 25.0299 -34.4771 -29.7289 -17.4102 -28.5779 35.6385 TIMING: 1354200 CPU: 3925.37, 0.00285864/step Wall: 3925.37, 0.00285864/step, 2.89501 hours remaining, 209.074219 MB of memory in use. ENERGY: 1354200 753.5818 2085.0418 1928.9856 115.6563 -205634.7207 17387.5712 0.0000 0.0000 34231.8824 -149132.0017 298.9555 -183363.8841 -149037.9552 299.9490 -164.9084 -130.4481 557308.4831 0.9198 1.2185 PRESSURE: 1354400 -350.821 4.00601 53.1175 4.00588 -161.844 89.0137 53.1176 89.0137 -77.8854 GPRESSURE: 1354400 -220.692 73.7948 93.6258 -119.173 -195.353 146.009 34.2449 72.9812 -85.0065 PRESSAVG: 1354400 21.4104 -47.4428 -11.4017 -47.4427 -18.6025 18.6895 -11.4017 18.6896 9.36438 GPRESSAVG: 1354400 22.6187 -49.4571 -11.1738 -46.8262 -18.4628 18.6721 -8.26856 15.525 8.05449 TIMING: 1354400 CPU: 3925.94, 0.00288108/step Wall: 3925.94, 0.00288108/step, 2.91757 hours remaining, 209.074219 MB of memory in use. ENERGY: 1354400 739.0941 2080.4963 1927.6315 119.2018 -205592.8660 17359.8090 0.0000 0.0000 34353.5194 -149013.1139 300.0178 -183366.6333 -148913.1546 299.4052 -196.8499 -167.0173 557400.7996 4.0574 4.0701 PRESSURE: 1354600 76.6764 138.279 -159.755 138.278 90.5936 215.829 -159.755 215.829 232.769 GPRESSURE: 1354600 134.97 220.55 -208.958 69.7711 108.538 183.754 -110.148 189.675 244.122 PRESSAVG: 1354600 -39.6844 27.4042 -10.4548 27.4041 5.80944 9.50586 -10.4549 9.50599 12.5887 GPRESSAVG: 1354600 -42.3717 26.9018 -10.2944 26.8752 6.37158 11.439 -11.505 9.18682 14.4906 TIMING: 1354600 CPU: 3926.52, 0.00288483/step Wall: 3926.52, 0.00288483/step, 2.92121 hours remaining, 209.074219 MB of memory in use. ENERGY: 1354600 745.2291 2075.9347 1930.2459 119.5818 -205851.6223 17932.0555 0.0000 0.0000 34083.8317 -148964.7435 297.6626 -183048.5752 -148861.4320 299.9135 133.3463 162.5436 557475.7097 -7.0954 -7.1698 PRESSURE: 1354800 -68.944 91.688 199.6 91.6864 -142.773 -31.1194 199.599 -31.119 0.910587 GPRESSURE: 1354800 -28.4597 160.784 226.863 58.4814 -137.401 74.1773 172.113 -130.919 38.8113 PRESSAVG: 1354800 54.2033 -27.1402 -17.1703 -27.1402 -59.4707 44.2271 -17.1703 44.2272 -2.63439 GPRESSAVG: 1354800 54.9867 -26.0995 -15.9683 -27.2571 -59.0342 42.7408 -19.2991 43.8793 -4.6535 TIMING: 1354800 CPU: 3927.1, 0.0028844/step Wall: 3927.1, 0.0028844/step, 2.92062 hours remaining, 209.074219 MB of memory in use. ENERGY: 1354800 749.5672 2116.6717 1951.0346 108.3481 -205879.7429 17604.4842 0.0000 0.0000 34319.7641 -149029.8729 299.7230 -183349.6371 -148938.8191 299.8380 -70.2689 -42.3498 557696.3051 -2.6339 -2.9003 PRESSURE: 1355000 -264.426 -78.4308 147.171 -78.4306 -146.525 -38.79 147.172 -38.7911 -77.4094 GPRESSURE: 1355000 -224.889 1.27517 167.84 -39.9409 -118.167 -45.7006 217.651 1.83904 -43.5689 PRESSAVG: 1355000 -2.85959 40.3029 51.2955 40.3029 -39.127 -5.22558 51.2955 -5.22563 53.2084 GPRESSAVG: 1355000 -1.79724 41.0791 50.2347 39.9865 -39.7707 -4.96529 51.8457 -2.36441 52.6151 TIMING: 1355000 CPU: 3927.68, 0.00288665/step Wall: 3927.68, 0.00288665/step, 2.92273 hours remaining, 209.074219 MB of memory in use. ENERGY: 1355000 748.0301 2079.6049 1937.1078 105.1120 -206258.7215 17794.4181 0.0000 0.0000 34454.2830 -149140.1656 300.8978 -183594.4487 -149045.4635 299.9069 -162.7866 -128.8749 557543.3698 3.7406 3.6824 PRESSURE: 1355200 6.74234 139.734 -90.3409 139.734 1.54547 9.88337 -90.3411 9.8833 207.509 GPRESSURE: 1355200 90.8963 94.1304 -106.132 149.381 57.6396 -28.538 -90.7304 80.0014 178.631 PRESSAVG: 1355200 -3.07058 37.6974 -26.9163 37.6974 -8.86731 -13.1298 -26.9163 -13.1297 15.7262 GPRESSAVG: 1355200 -4.20673 36.4461 -27.2156 39.5537 -7.60522 -15.7358 -25.5895 -12.5941 16.1132 TIMING: 1355200 CPU: 3928.25, 0.00288449/step Wall: 3928.25, 0.00288449/step, 2.92039 hours remaining, 209.074219 MB of memory in use. ENERGY: 1355200 791.9348 2116.3511 1933.0729 117.5677 -206347.2063 18113.6950 0.0000 0.0000 34020.4594 -149254.1253 297.1091 -183274.5847 -149170.8071 299.6004 71.9322 109.0558 558468.8839 1.2628 1.4338 PRESSURE: 1355400 42.8109 -101.779 16.742 -101.779 110.93 91.7996 16.7429 91.7985 -356.915 GPRESSURE: 1355400 71.7193 -79.3432 30.7539 -96.8235 90.5654 17.4213 -2.36923 108.216 -267.976 PRESSAVG: 1355400 2.70781 7.33247 60.2986 7.33243 46.9194 12.1732 60.2986 12.1732 -11.3824 GPRESSAVG: 1355400 2.79145 9.92012 61.9694 5.60306 46.2353 14.6239 58.2994 8.40134 -10.7086 TIMING: 1355400 CPU: 3928.83, 0.00289476/step Wall: 3928.83, 0.00289476/step, 2.93063 hours remaining, 209.074219 MB of memory in use. ENERGY: 1355400 748.3252 2057.7182 1954.9456 108.7135 -206125.2594 17692.9668 0.0000 0.0000 34168.7156 -149393.8745 298.4039 -183562.5901 -149296.7442 298.7273 -67.7246 -35.2303 558138.4848 12.7483 12.7727 PRESSURE: 1355600 -24.7572 52.6583 -18.5628 52.6578 -41.9837 60.5593 -18.5623 60.5605 141.851 GPRESSURE: 1355600 44.5605 63.7393 -112.358 111.107 -26.3207 64.3138 -37.5674 138.645 143.008 PRESSAVG: 1355600 6.71453 49.6619 16.1144 49.6618 53.6689 33.0998 16.1144 33.0998 -31.6604 GPRESSAVG: 1355600 5.47939 49.6539 15.9016 51.5574 54.2992 31.9276 17.1157 35.0607 -31.383 TIMING: 1355600 CPU: 3929.41, 0.00288704/step Wall: 3929.41, 0.00288704/step, 2.92265 hours remaining, 209.074219 MB of memory in use. ENERGY: 1355600 731.5729 2104.4562 1937.2725 115.4771 -206480.6595 17932.9454 0.0000 0.0000 34375.8495 -149283.0860 300.2128 -183658.9355 -149182.3526 298.8475 25.0366 53.7494 558164.3619 9.5743 9.4652 PRESSURE: 1355800 -21.6642 57.4619 -76.4829 57.4635 -147.275 182.447 -76.4823 182.446 180.305 GPRESSURE: 1355800 30.0813 30.2717 -71.0949 68.7227 -123.617 130.652 -87.1624 140.298 200.446 PRESSAVG: 1355800 35.4582 47.4688 2.65385 47.4688 3.12032 52.2654 2.65398 52.2653 -72.7761 GPRESSAVG: 1355800 36.5008 48.351 2.39476 44.7877 1.92738 53.2588 2.73446 51.4153 -72.417 TIMING: 1355800 CPU: 3929.99, 0.00289556/step Wall: 3929.99, 0.00289556/step, 2.93111 hours remaining, 209.074219 MB of memory in use. ENERGY: 1355800 778.9718 2109.4829 1914.6905 113.5804 -206232.3582 17906.9188 0.0000 0.0000 34198.2113 -149210.5024 298.6615 -183408.7137 -149113.0694 299.3692 3.7887 35.6369 557109.5811 -11.3992 -11.3296 PRESSURE: 1356000 -100.251 15.4928 10.5496 15.4933 -187.525 176.803 10.55 176.801 -22.0634 GPRESSURE: 1356000 -78.9093 42.5675 -94.0961 51.5715 -112.424 77.7372 -25.157 211.434 -16.9486 PRESSAVG: 1356000 8.40941 -27.5353 51.6216 -27.5354 -13.5299 -28.4125 51.6216 -28.4126 2.44086 GPRESSAVG: 1356000 7.89424 -31.5012 49.9409 -25.7401 -12.8546 -29.4678 52.2559 -25.8673 2.39492 TIMING: 1356000 CPU: 3930.56, 0.00287784/step Wall: 3930.56, 0.00287784/step, 2.91302 hours remaining, 209.074219 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: 1356000 722.4971 2139.1651 1943.9260 126.5597 -206048.8588 17684.3783 0.0000 0.0000 34321.5665 -149110.7661 299.7388 -183432.3325 -149013.2373 299.1490 -103.2799 -69.4275 558285.3246 -0.8932 -0.8551 PRESSURE: 1356200 -73.368 103.97 189.231 103.971 20.8661 -29.6121 189.229 -29.6134 6.70723 GPRESSURE: 1356200 -47.7466 26.7601 236.084 103.996 133.851 -14.0517 175.214 -16.3479 -32.4477 PRESSAVG: 1356200 -27.7725 -4.72629 38.9739 -4.7263 54.5307 35.1761 38.9739 35.1761 21.2325 GPRESSAVG: 1356200 -27.6425 -1.04029 40.0689 -7.55405 55.0661 35.7717 40.3672 32.1205 20.1808 TIMING: 1356200 CPU: 3931.14, 0.00289544/step Wall: 3931.14, 0.00289544/step, 2.93067 hours remaining, 209.074219 MB of memory in use. ENERGY: 1356200 735.5001 2046.0419 1957.8599 120.6584 -205995.4903 17629.5801 0.0000 0.0000 34248.3827 -149257.4672 299.0996 -183505.8499 -149154.0984 299.6257 -15.2649 17.8857 556825.7162 15.9969 15.8681 LDB: ============= START OF LOAD BALANCING ============== 3934.53 LDB: ============== END OF LOAD BALANCING =============== 3934.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3934.53 LDB: ============= START OF LOAD BALANCING ============== 3934.82 LDB: Largest compute 4822 load 0.023270 is 19.7% of average load 0.117888 LDB: Average compute 0.001723 is 1.5% of average load 0.117888 LDB: TIME 3934.82 LOAD: AVG 0.117888 MAX 0.185429 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.359 MB LDB: TIME 3934.82 LOAD: AVG 0.117888 MAX 0.185429 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.367 MB LDB: TIME 3934.82 LOAD: AVG 0.117888 MAX 0.185429 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.367 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3934.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3934.83 PRESSURE: 1356400 65.3857 19.4494 82.1996 19.45 281.215 43.5199 82.2001 43.5194 172.791 GPRESSURE: 1356400 80.1536 -31.0683 -1.73541 51.8724 356.224 18.2498 71.9901 64.2165 192.328 PRESSAVG: 1356400 -38.8542 5.53917 82.3177 5.53914 -1.40136 63.1324 82.3176 63.1323 49.333 GPRESSAVG: 1356400 -39.4416 2.90369 83.0623 7.50592 -1.88189 63.2906 77.0474 66.2273 50.9812 TIMING: 1356400 CPU: 3931.73, 0.00295301/step Wall: 3931.73, 0.00295301/step, 2.98877 hours remaining, 208.769531 MB of memory in use. ENERGY: 1356400 734.6961 2143.7623 1957.5547 125.3038 -206341.1762 17962.6355 0.0000 0.0000 34350.2302 -149066.9936 299.9891 -183417.2238 -148973.6075 299.1941 173.1306 209.5686 554923.5237 3.0258 3.2192 PRESSURE: 1356600 -166.911 -53.2107 14.5858 -53.2107 380.552 201.316 14.5855 201.316 205.596 GPRESSURE: 1356600 -103.843 -34.9206 10.0938 -68.3171 369.594 228.736 35.4609 140.032 250.322 PRESSAVG: 1356600 3.65718 19.6258 38.6402 19.6259 -22.5661 49.3551 38.6401 49.3552 -27.0291 GPRESSAVG: 1356600 5.13418 21.4205 39.4522 18.2786 -22.7415 49.8733 38.4505 46.7939 -28.3231 TIMING: 1356600 CPU: 3932.31, 0.00289209/step Wall: 3932.31, 0.00289209/step, 2.92696 hours remaining, 208.769531 MB of memory in use. ENERGY: 1356600 725.6904 2060.0709 1941.5679 133.5652 -206257.2295 17911.9790 0.0000 0.0000 34207.0276 -149277.3285 298.7385 -183484.3561 -149184.9662 299.2534 139.7457 172.0244 557097.4996 -15.3127 -15.3102 PRESSURE: 1356800 30.0442 5.79268 35.2947 5.79349 64.4361 -40.2363 35.2945 -40.2387 11.4317 GPRESSURE: 1356800 62.8416 5.52068 71.0617 31.8025 173.223 -75.148 14.6183 -53.4235 -34.9658 PRESSAVG: 1356800 -10.779 5.55368 5.48753 5.55369 17.219 16.8775 5.48755 16.8775 29.2476 GPRESSAVG: 1356800 -10.8971 6.1802 4.83761 5.74712 17.9745 17.0527 6.7469 16.5659 28.2262 TIMING: 1356800 CPU: 3932.89, 0.00288143/step Wall: 3932.89, 0.00288143/step, 2.916 hours remaining, 208.769531 MB of memory in use. ENERGY: 1356800 771.2521 2065.6234 1919.9118 124.0440 -206164.2029 17920.8320 0.0000 0.0000 34098.7248 -149263.8147 297.7926 -183362.5395 -149178.8949 298.8184 35.3040 67.0329 559189.8494 11.8959 11.7679 PRESSURE: 1357000 -22.0355 -19.6831 -33.2589 -19.6832 40.9264 90.9613 -33.2587 90.9612 80.5461 GPRESSURE: 1357000 53.4609 -34.5519 84.6268 -31.051 65.5629 121.007 -20.2208 47.9648 72.2619 PRESSAVG: 1357000 7.69776 41.2591 3.9615 41.2591 41.2772 -32.7786 3.96155 -32.7787 -23.3998 GPRESSAVG: 1357000 6.64587 40.918 4.2798 42.2887 41.0648 -33.1054 6.26796 -33.3234 -21.54 TIMING: 1357000 CPU: 3933.47, 0.00288976/step Wall: 3933.47, 0.00288976/step, 2.92428 hours remaining, 208.769531 MB of memory in use. ENERGY: 1357000 745.5186 2149.8105 1931.2891 111.9369 -206133.2611 17792.8945 0.0000 0.0000 34086.1604 -149315.6510 297.6829 -183401.8114 -149216.3862 298.8468 33.1457 63.7619 558104.9737 8.5250 8.7236 PRESSURE: 1357200 -199.282 148.411 -64.264 148.41 -30.2399 -100.453 -64.2643 -100.454 -65.5948 GPRESSURE: 1357200 -211.299 202.836 -84.1472 147.778 36.8266 -92.7808 -69.2553 -87.2841 -21.4066 PRESSAVG: 1357200 -2.18393 -0.30011 -16.2104 -0.300186 14.0505 -34.136 -16.2103 -34.1358 -28.0334 GPRESSAVG: 1357200 -3.11448 -0.769022 -17.8166 0.38277 13.8073 -34.4424 -16.1755 -34.4009 -26.8035 TIMING: 1357200 CPU: 3934.04, 0.00288472/step Wall: 3934.04, 0.00288472/step, 2.91902 hours remaining, 208.769531 MB of memory in use. ENERGY: 1357200 695.1074 2049.2210 1923.0390 112.0091 -206133.3762 17703.3658 0.0000 0.0000 34196.6340 -149453.9998 298.6477 -183650.6338 -149357.1647 299.1230 -98.3722 -65.2930 556888.8135 -5.3890 -5.3702 PRESSURE: 1357400 -231.256 112.119 5.49063 112.119 -54.7974 -46.6765 5.49107 -46.6775 172.457 GPRESSURE: 1357400 -149.193 102.079 -0.600814 144.216 -40.5328 -23.454 -104.298 -33.475 161.865 PRESSAVG: 1357400 -60.09 1.70434 -28.5674 1.70437 18.5114 -15.2752 -28.5673 -15.2751 42.6081 GPRESSAVG: 1357400 -57.9856 2.86537 -27.9713 1.53491 18.6128 -15.6815 -28.922 -13.3676 40.7727 TIMING: 1357400 CPU: 3934.62, 0.00288537/step Wall: 3934.62, 0.00288537/step, 2.91951 hours remaining, 208.769531 MB of memory in use. ENERGY: 1357400 794.2684 2137.3372 1946.4012 118.6797 -206202.4391 17755.9860 0.0000 0.0000 34005.5894 -149444.1772 296.9793 -183449.7666 -149344.2449 298.1863 -37.8652 -9.2869 556501.1878 0.3432 0.4666 PRESSURE: 1357600 -61.3669 -99.4286 36.8111 -99.4282 4.56512 82.1088 36.8121 82.1087 -344.398 GPRESSURE: 1357600 -39.0859 -53.0484 52.2459 -101.17 27.9724 104.624 85.4891 18.4246 -286.414 PRESSAVG: 1357600 -1.73673 21.5636 2.71917 21.5635 54.396 18.6549 2.71902 18.6548 -26.4398 GPRESSAVG: 1357600 -1.16223 21.6878 3.63901 19.3343 53.908 19.1856 2.25863 16.3405 -25.9458 TIMING: 1357600 CPU: 3935.2, 0.00290143/step Wall: 3935.2, 0.00290143/step, 2.9356 hours remaining, 208.769531 MB of memory in use. ENERGY: 1357600 762.8822 2075.7277 1930.5116 123.5856 -205859.3811 17709.8812 0.0000 0.0000 33947.4181 -149309.3747 296.4712 -183256.7928 -149209.9012 299.1086 -133.7332 -99.1759 559320.4703 8.7398 8.9333 PRESSURE: 1357800 79.6527 49.6591 27.2262 49.6584 -66.7032 45.2924 27.226 45.2914 -77.7608 GPRESSURE: 1357800 86.524 67.1734 -23.067 120.345 -51.5534 26.7625 -25.3453 2.24807 -8.87314 PRESSAVG: 1357800 29.7043 6.31645 39.2574 6.31651 -71.2685 3.19996 39.2575 3.20008 2.08628 GPRESSAVG: 1357800 28.7753 4.64693 38.31 7.17243 -70.0161 3.33061 39.325 3.89458 2.01016 TIMING: 1357800 CPU: 3935.78, 0.00288824/step Wall: 3935.78, 0.00288824/step, 2.9221 hours remaining, 208.769531 MB of memory in use. ENERGY: 1357800 721.0129 2134.9829 1937.7151 120.6460 -206431.2331 17757.9253 0.0000 0.0000 34316.6654 -149442.2855 299.6960 -183758.9509 -149355.0833 298.5782 -21.6038 8.6991 557864.3143 -13.1593 -13.0769 PRESSURE: 1358000 19.8288 150.403 -8.04664 150.401 -66.2129 -62.5174 -8.04821 -62.5156 94.3566 GPRESSURE: 1358000 89.4282 174.546 -134.017 159.194 -81.1601 -67.5919 -8.80193 -5.8218 134.013 PRESSAVG: 1358000 -4.71354 46.4971 57.2657 46.4971 8.75031 24.8402 57.2657 24.8402 -4.51657 GPRESSAVG: 1358000 -4.24046 46.2835 57.7488 46.3203 9.74407 25.1919 57.0371 25.377 -5.24465 TIMING: 1358000 CPU: 3936.36, 0.00289494/step Wall: 3936.36, 0.00289494/step, 2.92871 hours remaining, 208.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1358000 725.4990 2069.6616 1929.6510 100.7296 -206306.9757 17880.1014 0.0000 0.0000 34136.8785 -149464.4546 298.1258 -183601.3331 -149366.4398 298.6260 15.9908 47.4269 558208.1764 -0.1599 0.0863 PRESSURE: 1358200 -41.7716 122.5 -74.2399 122.501 249.131 -196.563 -74.2407 -196.564 157.263 GPRESSURE: 1358200 -6.13317 155.32 -47.3011 145.538 294.616 -222.962 -128.734 -187.636 176.153 PRESSAVG: 1358200 3.30046 24.2102 16.7195 24.2104 -47.2699 36.1971 16.7195 36.197 30.909 GPRESSAVG: 1358200 2.4316 23.0771 19.6599 26.0744 -48.2204 37.0611 15.897 34.7871 32.2598 TIMING: 1358200 CPU: 3936.94, 0.00290503/step Wall: 3936.94, 0.00290503/step, 2.93876 hours remaining, 208.769531 MB of memory in use. ENERGY: 1358200 733.3659 2050.4813 1920.0466 100.8690 -206461.0945 17982.3274 0.0000 0.0000 34294.2868 -149379.7175 299.5005 -183674.0043 -149290.4450 298.3373 121.5405 154.8787 556836.3728 -4.3535 -4.5096 PRESSURE: 1358400 86.6254 -58.4095 -7.81363 -58.411 127.679 86.569 -7.81293 86.5687 95.764 GPRESSURE: 1358400 135.769 10.1524 99.3844 -87.9141 132.352 92.7677 -56.936 23.7406 142.308 PRESSAVG: 1358400 27.0503 -5.17934 -18.3786 -5.17943 -6.26129 6.61184 -18.3786 6.61184 -21.6337 GPRESSAVG: 1358400 28.5476 -3.28995 -21.386 -8.50593 -6.89841 4.6851 -18.4092 9.18647 -21.9438 TIMING: 1358400 CPU: 3937.52, 0.00289471/step Wall: 3937.52, 0.00289471/step, 2.92816 hours remaining, 208.769531 MB of memory in use. ENERGY: 1358400 748.6848 2089.9846 1924.0774 100.8358 -206192.2522 17852.0658 0.0000 0.0000 34271.8296 -149204.7741 299.3044 -183476.6037 -149107.4085 299.0010 103.3563 136.8098 558700.1091 -0.2816 -0.0982 PRESSURE: 1358600 -5.74368 84.5011 66.9072 84.5016 212.004 -86.1382 66.9075 -86.1373 488.767 GPRESSURE: 1358600 93.1402 146.367 58.2539 45.6744 227.628 -28.5463 -4.20554 -97.9472 466.022 PRESSAVG: 1358600 45.3939 40.1976 4.39818 40.1976 -49.901 -64.7835 4.39808 -64.7836 -40.4289 GPRESSAVG: 1358600 44.8127 39.4204 4.71865 40.1108 -49.4672 -64.6354 3.71483 -64.9818 -40.1397 TIMING: 1358600 CPU: 3938.1, 0.00289902/step Wall: 3938.1, 0.00289902/step, 2.93236 hours remaining, 208.769531 MB of memory in use. ENERGY: 1358600 743.8876 2074.6788 1949.8233 116.3705 -206724.4187 18167.1011 0.0000 0.0000 34382.8739 -149289.6834 300.2742 -183672.5573 -149185.9894 299.6807 231.6757 262.2636 557656.0073 -14.9787 -14.9314 PRESSURE: 1358800 -108.168 -41.6059 39.2206 -41.6053 -11.0549 -180.883 39.2201 -180.882 -343.401 GPRESSURE: 1358800 -34.1272 -40.5017 -18.1716 -14.1186 13.5682 -86.3764 46.5316 -190.935 -327.563 PRESSAVG: 1358800 10.8578 80.1401 -42.9168 80.1401 -53.9129 -37.418 -42.9167 -37.418 16.5241 GPRESSAVG: 1358800 10.8671 81.4989 -42.1074 81.4168 -53.4309 -33.6283 -43.299 -38.7781 15.715 TIMING: 1358800 CPU: 3938.68, 0.00289158/step Wall: 3938.68, 0.00289158/step, 2.92467 hours remaining, 208.769531 MB of memory in use. ENERGY: 1358800 797.2750 2123.7215 1927.2854 110.3837 -206088.0165 17700.2233 0.0000 0.0000 34283.7973 -149145.3303 299.4089 -183429.1276 -149054.4043 299.1958 -154.2079 -116.0406 556646.5145 -8.8437 -8.9496 PRESSURE: 1359000 118.27 25.8207 166.386 25.8224 352.233 -59.7913 166.386 -59.7902 164.544 GPRESSURE: 1359000 142.757 -30.5536 185.985 13.3311 362.045 3.73925 111.698 -131.478 226.84 PRESSAVG: 1359000 15.8069 50.8859 -18.6914 50.886 19.1558 -27.2195 -18.6915 -27.2196 -24.5768 GPRESSAVG: 1359000 16.5198 50.2682 -20.0499 52.716 19.5465 -33.4476 -14.887 -25.2713 -25.4212 TIMING: 1359000 CPU: 3939.25, 0.00287877/step Wall: 3939.25, 0.00287877/step, 2.91156 hours remaining, 208.769531 MB of memory in use. ENERGY: 1359000 730.2581 2029.1520 1929.2259 103.0438 -206130.4775 17995.5442 0.0000 0.0000 34356.8687 -148986.3848 300.0471 -183343.2535 -148881.1760 298.9553 211.6825 243.8806 556632.1397 3.4620 3.5484 PRESSURE: 1359200 -264.904 60.3499 191.019 60.3509 25.0173 -58.9463 191.019 -58.9477 -204.061 GPRESSURE: 1359200 -190.573 -33.7009 212.172 123.159 66.0438 40.2475 112.161 -76.0285 -236.522 PRESSAVG: 1359200 4.88519 37.5334 -10.2559 37.5335 35.6358 -7.32738 -10.2559 -7.32752 -39.2609 GPRESSAVG: 1359200 4.36501 35.217 -9.81309 37.237 34.7787 -3.30577 -11.7653 -7.79035 -38.0654 TIMING: 1359200 CPU: 3939.83, 0.00288651/step Wall: 3939.83, 0.00288651/step, 2.91923 hours remaining, 208.769531 MB of memory in use. ENERGY: 1359200 734.2311 2102.4458 1945.1363 127.3209 -205905.6572 17587.9673 0.0000 0.0000 34353.7434 -149054.8123 300.0198 -183408.5557 -148961.5555 300.4608 -147.9825 -120.3502 558801.6028 0.4200 0.3594 PRESSURE: 1359400 3.16549 -76.7381 51.1341 -76.7388 130.685 119.05 51.1337 119.049 -18.8925 GPRESSURE: 1359400 54.7446 -97.5463 39.9336 -136.136 126.522 128.339 130.75 58.9711 34.7176 PRESSAVG: 1359400 -4.51118 21.1061 51.8683 21.1061 40.4768 19.581 51.8684 19.581 -26.4705 GPRESSAVG: 1359400 -3.309 23.0884 52.0629 19.6161 40.1011 18.2163 51.0406 19.5876 -27.8775 TIMING: 1359400 CPU: 3940.4, 0.00286398/step Wall: 3940.4, 0.00286398/step, 2.89628 hours remaining, 208.972656 MB of memory in use. ENERGY: 1359400 745.0202 2069.8607 1993.6296 123.9299 -206095.1892 17769.9237 0.0000 0.0000 34221.9397 -149170.8854 298.8687 -183392.8251 -149072.7415 299.3329 38.3192 71.9949 557125.7183 3.1650 2.9715 PRESSURE: 1359600 70.3927 -72.0183 83.315 -72.0187 -28.5738 -225.889 83.3158 -225.887 50.4771 GPRESSURE: 1359600 98.0442 -153.477 93.8941 46.955 38.2378 -225.961 86.4332 -177.82 56.2634 PRESSAVG: 1359600 0.658836 -52.5305 66.3827 -52.5305 52.1746 41.1854 66.3828 41.1855 -26.8404 GPRESSAVG: 1359600 0.507487 -55.1426 65.4625 -49.8928 52.6602 42.6483 68.8364 41.6992 -27.1282 TIMING: 1359600 CPU: 3940.98, 0.00288024/step Wall: 3940.98, 0.00288024/step, 2.91257 hours remaining, 208.972656 MB of memory in use. ENERGY: 1359600 755.3796 2118.6544 1919.2428 107.3026 -206258.5729 17909.4913 0.0000 0.0000 34517.8946 -148930.6077 301.4534 -183448.5023 -148836.4697 299.7666 30.7654 64.1818 558336.2348 8.6644 8.6798 PRESSURE: 1359800 99.724 32.9651 3.67646 32.9658 -156.614 -27.2492 3.67803 -27.2492 -12.6392 GPRESSURE: 1359800 150.088 80.1857 25.3108 17.3737 -124.263 39.3066 36.0904 -70.2724 1.42036 PRESSAVG: 1359800 4.36419 0.419081 20.8519 0.419191 -23.6937 4.2938 20.8519 4.29389 0.30622 GPRESSAVG: 1359800 3.17358 3.65146 22.3227 -1.9329 -23.3814 3.486 17.0347 4.47804 1.3898 TIMING: 1359800 CPU: 3941.56, 0.00290038/step Wall: 3941.56, 0.00290038/step, 2.93277 hours remaining, 208.972656 MB of memory in use. ENERGY: 1359800 775.2151 2124.6640 1944.8753 112.9648 -205648.0531 17637.6010 0.0000 0.0000 34233.1566 -148819.5763 298.9667 -183052.7330 -148730.7791 299.7592 -23.1763 9.0816 558958.1436 -6.3411 -6.2727 PRESSURE: 1360000 180.5 -92.2126 -168.883 -92.2126 35.8494 140.286 -168.884 140.287 134.859 GPRESSURE: 1360000 193.514 -85.2235 -139.334 -76.4029 37.7088 101.229 -159.701 148.564 211.253 PRESSAVG: 1360000 -24.7183 -3.85881 -7.59782 -3.85871 -17.427 26.1936 -7.59778 26.1936 -10.9269 GPRESSAVG: 1360000 -23.944 -6.46236 -10.1931 -4.66078 -16.6497 25.7287 -2.77845 26.67 -12.0593 TIMING: 1360000 CPU: 3942.14, 0.0029023/step Wall: 3942.14, 0.0029023/step, 2.93455 hours remaining, 208.972656 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: 1360000 750.6010 2026.5115 1959.4284 118.1744 -205797.9724 17955.1983 0.0000 0.0000 34357.9683 -148630.0905 300.0567 -182988.0589 -148536.3901 300.1794 117.0693 147.4920 559481.9307 -17.6907 -17.5510 PRESSURE: 1360200 -207.286 54.6319 159.223 54.6313 -350.001 50.8399 159.223 50.8378 -83.5633 GPRESSURE: 1360200 -196.468 51.5319 120.754 42.9023 -313.074 27.2551 202.882 57.3302 -35.4732 PRESSAVG: 1360200 -17.8279 -80.9715 24.0073 -80.9716 76.5419 -33.7127 24.0072 -33.7128 -66.3748 GPRESSAVG: 1360200 -17.8669 -80.6778 26.2434 -79.9664 75.2387 -33.2026 20.2689 -36.2546 -65.2902 TIMING: 1360200 CPU: 3942.72, 0.00289528/step Wall: 3942.72, 0.00289528/step, 2.92728 hours remaining, 208.972656 MB of memory in use. ENERGY: 1360200 741.7363 2054.9623 1952.4454 116.4220 -205363.2257 17442.6202 0.0000 0.0000 34236.9788 -148818.0607 299.0001 -183055.0395 -148715.3573 300.0382 -213.6168 -181.6716 559140.7532 -2.5536 -2.6395 LDB: ============= START OF LOAD BALANCING ============== 3946.1 LDB: ============== END OF LOAD BALANCING =============== 3946.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3946.1 LDB: ============= START OF LOAD BALANCING ============== 3946.39 LDB: Largest compute 4822 load 0.024034 is 20.4% of average load 0.117955 LDB: Average compute 0.001723 is 1.5% of average load 0.117955 LDB: TIME 3946.39 LOAD: AVG 0.117955 MAX 0.184809 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 3946.39 LOAD: AVG 0.117955 MAX 0.184809 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: TIME 3946.39 LOAD: AVG 0.117955 MAX 0.184809 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: ============== END OF LOAD BALANCING =============== 3946.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3946.4 PRESSURE: 1360400 77.1955 -18.2172 41.861 -18.2166 182.332 59.6399 41.8614 59.6401 121.121 GPRESSURE: 1360400 95.8527 50.6053 -53.9693 -86.9595 276.46 152.869 42.8558 42.9662 93.063 PRESSAVG: 1360400 -59.4139 -13.8417 34.5574 -13.8416 -10.976 -60.8469 34.5574 -60.847 46.6318 GPRESSAVG: 1360400 -60.6412 -11.6603 31.5382 -12.4355 -9.87688 -60.7563 36.7756 -59.8602 47.0456 TIMING: 1360400 CPU: 3943.3, 0.00294001/step Wall: 3943.3, 0.00294001/step, 2.97235 hours remaining, 210.433594 MB of memory in use. ENERGY: 1360400 718.4722 2048.3721 1943.3571 109.3031 -206119.3075 18054.6123 0.0000 0.0000 34440.7481 -148804.4426 300.7796 -183245.1907 -148709.1634 300.3305 126.8827 155.1252 558452.5011 -7.9194 -7.8242 PRESSURE: 1360600 -26.1017 35.0272 106.248 35.0282 -128.943 93.1018 106.247 93.1017 136.955 GPRESSURE: 1360600 28.7973 -0.210345 59.6646 83.0168 -72.786 50.3774 81.8197 97.1625 121.396 PRESSAVG: 1360600 11.0525 -9.4992 71.1544 -9.49927 7.98517 1.69268 71.1544 1.69266 -0.629773 GPRESSAVG: 1360600 12.9083 -11.1065 74.9947 -10.8173 7.35588 0.909065 70.0622 3.84914 -1.82974 TIMING: 1360600 CPU: 3943.88, 0.00288186/step Wall: 3943.88, 0.00288187/step, 2.91341 hours remaining, 210.433594 MB of memory in use. ENERGY: 1360600 744.8850 2027.6352 1942.0051 116.6730 -205991.8303 17865.5477 0.0000 0.0000 34440.2951 -148854.7892 300.7757 -183295.0842 -148756.3043 300.7935 -6.0301 25.8023 558169.3805 6.1360 6.1448 PRESSURE: 1360800 20.9421 -57.871 -15.0196 -57.8706 28.7596 55.2584 -15.0193 55.2595 32.2486 GPRESSURE: 1360800 85.7723 -10.7931 -92.4627 -45.3319 94.0253 -7.07696 32.1495 155.05 14.2484 PRESSAVG: 1360800 13.7713 -37.4899 25.6322 -37.4899 -14.388 -16.3671 25.6322 -16.3671 6.69211 GPRESSAVG: 1360800 13.3913 -37.9852 24.738 -35.6528 -14.2863 -16.5747 26.5703 -16.5526 7.80596 TIMING: 1360800 CPU: 3944.46, 0.00288858/step Wall: 3944.46, 0.00288858/step, 2.92003 hours remaining, 210.433594 MB of memory in use. ENERGY: 1360800 788.0176 2124.2745 1929.1033 109.3171 -206307.8516 18126.4621 0.0000 0.0000 34495.3793 -148735.2977 301.2567 -183230.6770 -148637.8294 300.6285 27.3168 64.6820 559521.7571 2.0251 2.3036 PRESSURE: 1361000 -21.8522 143.827 -203.101 143.827 210.795 -198.171 -203.101 -198.172 21.8897 GPRESSURE: 1361000 0.682285 181.927 -181.137 158.753 232.94 -265.696 -247.528 -80.0782 66.1494 PRESSAVG: 1361000 -50.9656 -4.79827 28.8239 -4.79818 9.63554 -38.0624 28.8239 -38.0624 -5.33635 GPRESSAVG: 1361000 -50.5539 -3.4656 30.2164 -4.42016 8.95071 -36.5216 28.1403 -41.3015 -5.24445 TIMING: 1361000 CPU: 3945.04, 0.00288931/step Wall: 3945.04, 0.00288931/step, 2.92061 hours remaining, 210.433594 MB of memory in use. ENERGY: 1361000 746.8238 2071.7772 1953.7707 123.2736 -206267.9934 17945.7792 0.0000 0.0000 34511.3934 -148915.1755 301.3966 -183426.5689 -148814.9068 300.1935 70.2776 99.9238 556579.2007 -15.5555 -15.6159 PRESSURE: 1361200 -122.301 -189.027 35.705 -189.027 -194.719 52.1397 35.7058 52.1407 -139.674 GPRESSURE: 1361200 -76.7336 -150.021 19.8948 -164.555 -92.2984 49.9066 97.0428 110.729 -201.71 PRESSAVG: 1361200 -31.3947 -21.9158 5.33417 -21.9158 19.9677 24.1912 5.33413 24.1912 8.26531 GPRESSAVG: 1361200 -32.4978 -22.8083 3.40665 -24.2463 21.2647 21.013 6.13458 26.8394 8.08117 TIMING: 1361200 CPU: 3945.61, 0.00287605/step Wall: 3945.61, 0.00287605/step, 2.90705 hours remaining, 210.433594 MB of memory in use. ENERGY: 1361200 742.8435 2099.6885 1934.6105 115.5807 -205611.4055 17497.9540 0.0000 0.0000 34410.6265 -148810.1019 300.5166 -183220.7284 -148709.3301 300.8862 -152.2315 -123.5808 556887.4476 -1.0539 -1.0506 PRESSURE: 1361400 -148.228 12.9651 165.574 12.9648 -166.098 53.1986 165.574 53.1982 60.6406 GPRESSURE: 1361400 -132.43 -57.0562 132.143 30.2861 -143.754 37.2623 230.232 101.181 113.319 PRESSAVG: 1361400 15.7469 0.251394 7.47032 0.251329 -5.39006 -12.949 7.47017 -12.9489 2.25807 GPRESSAVG: 1361400 15.3141 0.74154 7.49104 0.499647 -4.879 -12.1235 6.95808 -14.1715 1.81112 TIMING: 1361400 CPU: 3946.19, 0.00286649/step Wall: 3946.19, 0.00286649/step, 2.89722 hours remaining, 210.433594 MB of memory in use. ENERGY: 1361400 753.9659 2081.9318 1987.4452 114.3207 -205932.9517 17709.0036 0.0000 0.0000 34402.1074 -148884.1772 300.4422 -183286.2845 -148784.3461 300.2178 -84.5619 -54.2883 557088.6129 4.2050 4.0821 PRESSURE: 1361600 -97.4368 -17.6888 -35.7766 -17.6879 -289.314 -190.438 -35.7758 -190.44 54.3741 GPRESSURE: 1361600 -38.0979 -40.0801 -16.5954 -54.632 -259.316 -108.318 -18.1345 -133.137 57.3741 PRESSAVG: 1361600 -29.2466 22.4581 -14.2631 22.4581 -48.7973 -12.2752 -14.2631 -12.2753 98.498 GPRESSAVG: 1361600 -29.3294 21.8038 -13.1554 22.3115 -49.4671 -10.7457 -13.8325 -10.8111 99.3483 TIMING: 1361600 CPU: 3946.76, 0.00288301/step Wall: 3946.76, 0.00288301/step, 2.91376 hours remaining, 210.433594 MB of memory in use. ENERGY: 1361600 749.0888 2081.8411 1956.1942 124.4367 -205892.9680 17574.3583 0.0000 0.0000 34512.8867 -148894.1621 301.4096 -183407.0489 -148802.9461 300.4428 -110.7923 -80.0131 557743.0641 6.8181 6.8506 PRESSURE: 1361800 -404.022 4.90289 87.6166 4.90115 81.8426 -19.0154 87.616 -19.0166 -2.11226 GPRESSURE: 1361800 -322.656 -57.2949 100.602 130.49 122.129 -53.0957 69.9574 -145.683 -31.0702 PRESSAVG: 1361800 -39.0329 48.1428 -32.1628 48.1428 46.8103 9.83052 -32.1628 9.83039 13.2773 GPRESSAVG: 1361800 -37.5733 47.7591 -32.1749 48.011 45.6991 11.8115 -33.6352 7.24989 13.3372 TIMING: 1361800 CPU: 3947.34, 0.00287361/step Wall: 3947.34, 0.00287361/step, 2.9041 hours remaining, 210.433594 MB of memory in use. ENERGY: 1361800 757.4741 2049.5486 1990.3989 109.9620 -205990.3758 17665.3582 0.0000 0.0000 34459.6442 -148957.9899 300.9446 -183417.6340 -148857.0814 300.3764 -108.0972 -77.1991 556785.9609 7.0183 7.1543 PRESSURE: 1362000 109.025 52.6156 -100.615 52.6142 270.342 16.7356 -100.615 16.7367 -126.379 GPRESSURE: 1362000 121.558 31.7253 -51.4291 102.517 298.379 70.0468 -98.2155 -34.3943 -81.8561 PRESSAVG: 1362000 -17.8845 10.9134 9.78624 10.9133 27.1552 6.85182 9.78624 6.85195 11.9865 GPRESSAVG: 1362000 -18.4682 8.4805 10.7339 12.5187 29.0795 5.8094 8.67426 6.68906 11.119 TIMING: 1362000 CPU: 3947.91, 0.00288327/step Wall: 3947.91, 0.00288327/step, 2.91371 hours remaining, 210.468750 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: 1362000 736.4938 2105.2812 1951.8654 103.1215 -206044.8010 17778.1210 0.0000 0.0000 34508.0038 -148861.9143 301.3670 -183369.9181 -148769.8984 300.3511 84.3293 112.6935 555645.8821 7.0857 7.2434 PRESSURE: 1362200 -256.362 -81.2778 204.6 -81.2794 -189.707 -108.217 204.6 -108.219 -393.896 GPRESSURE: 1362200 -199.475 -14.5816 205.006 -72.8316 -170.604 -137.615 160.001 -119.914 -369.172 PRESSAVG: 1362200 47.6666 24.9379 19.0416 24.938 0.203418 55.2596 19.0415 55.2597 -34.5736 GPRESSAVG: 1362200 47.7418 28.0978 18.3118 23.8217 -0.826369 53.186 19.4967 57.5472 -33.9423 TIMING: 1362200 CPU: 3948.49, 0.0028943/step Wall: 3948.49, 0.0028943/step, 2.92469 hours remaining, 210.468750 MB of memory in use. ENERGY: 1362200 778.6847 2119.7287 1937.8505 107.0757 -205941.2911 17581.0314 0.0000 0.0000 34447.7721 -148969.1480 300.8410 -183416.9201 -148871.8250 300.4910 -279.9884 -246.4167 557947.5133 4.4321 4.3244 PRESSURE: 1362400 -53.0369 -95.9408 -240.845 -95.9412 -129.49 -35.3472 -240.845 -35.3495 -158.432 GPRESSURE: 1362400 -64.7064 -27.7409 -228.009 -103.554 -57.5053 -2.41306 -274.481 -109.299 -119.902 PRESSAVG: 1362400 -68.6057 -31.1447 19.3155 -31.1446 24.3401 26.0239 19.3155 26.0238 22.6165 GPRESSAVG: 1362400 -68.2357 -30.9304 17.8702 -31.2708 24.0101 27.2164 20.1071 23.9325 22.347 TIMING: 1362400 CPU: 3949.07, 0.00289625/step Wall: 3949.07, 0.00289625/step, 2.9265 hours remaining, 210.468750 MB of memory in use. ENERGY: 1362400 760.0688 2095.0929 1922.8648 114.4312 -205990.4953 17687.6951 0.0000 0.0000 34459.9646 -148950.3779 300.9474 -183410.3425 -148851.9014 300.4338 -113.6529 -80.7046 557271.4035 -7.2164 -7.2929 PRESSURE: 1362600 -200.604 -25.6484 94.9172 -25.6477 -17.4778 -121.859 94.9179 -121.861 -156.286 GPRESSURE: 1362600 -227.209 -81.1794 0.133742 23.9215 36.7747 -121.994 157.965 -123.94 -98.7802 PRESSAVG: 1362600 45.8833 4.8776 -2.12864 4.87762 1.22198 -27.8198 -2.12872 -27.8198 -63.1471 GPRESSAVG: 1362600 44.9086 3.59644 -2.56068 5.26057 1.96135 -28.4616 -1.266 -26.6099 -62.4981 TIMING: 1362600 CPU: 3949.65, 0.002893/step Wall: 3949.65, 0.002893/step, 2.92306 hours remaining, 210.468750 MB of memory in use. ENERGY: 1362600 746.7689 2062.7612 1949.6061 108.0121 -205847.2822 17556.3166 0.0000 0.0000 34488.1430 -148935.6743 301.1935 -183423.8173 -148838.9851 300.9259 -124.7891 -96.4050 557639.3058 -5.3473 -5.2094 PRESSURE: 1362800 -216.327 -105.464 52.1393 -105.465 -61.3043 29.444 52.1389 29.4452 0.730856 GPRESSURE: 1362800 -105.79 -58.0523 -28.4254 -60.2314 -100.852 140.675 85.284 40.4887 13.5697 PRESSAVG: 1362800 -11.831 -3.22754 -13.5692 -3.22751 -8.48092 4.60624 -13.5693 4.60635 18.3421 GPRESSAVG: 1362800 -11.4135 -3.2434 -12.2775 -2.51363 -8.74252 6.365 -14.6438 4.85327 18.936 TIMING: 1362800 CPU: 3950.23, 0.00290828/step Wall: 3950.23, 0.00290828/step, 2.93834 hours remaining, 210.468750 MB of memory in use. ENERGY: 1362800 706.8135 2058.4345 1958.4755 104.8672 -206034.5424 17561.6144 0.0000 0.0000 34484.6623 -149159.6750 301.1631 -183644.3373 -149066.6101 299.4813 -92.3001 -64.3575 557223.8418 -0.6566 -0.4067 PRESSURE: 1363000 -101.17 188.706 -84.1079 188.706 -35.0227 -30.2601 -84.1089 -30.2616 -91.6184 GPRESSURE: 1363000 -81.8885 168.536 -138.324 262.203 19.2456 -91.9038 -109.467 -71.0975 -59.2499 PRESSAVG: 1363000 -56.9425 5.10325 18.524 5.10325 -42.781 33.5794 18.5241 33.5794 69.0524 GPRESSAVG: 1363000 -56.7864 4.18814 18.1786 5.72743 -42.4754 34.0818 19.3272 33.2669 69.3348 TIMING: 1363000 CPU: 3950.81, 0.00289997/step Wall: 3950.81, 0.00289997/step, 2.92977 hours remaining, 210.468750 MB of memory in use. ENERGY: 1363000 764.9087 2050.9002 1929.5190 100.4781 -205782.5412 17672.8619 0.0000 0.0000 34135.0305 -149128.8429 298.1097 -183263.8733 -149039.6695 299.6597 -75.9372 -40.6309 557566.4105 -10.2237 -9.9757 PRESSURE: 1363200 -114.156 -22.2441 72.9631 -22.2441 -92.7263 -82.6263 72.9631 -82.6273 -159.498 GPRESSURE: 1363200 -86.0117 -30.7167 119.034 -63.8003 -39.5041 -118.441 15.738 -117.764 -139.503 PRESSAVG: 1363200 -5.11031 24.5897 11.4811 24.5897 31.2863 -27.5104 11.4811 -27.5104 -21.8946 GPRESSAVG: 1363200 -4.89753 25.2883 10.4645 22.6948 31.8201 -29.0651 12.9294 -27.7913 -22.2525 TIMING: 1363200 CPU: 3951.39, 0.00289771/step Wall: 3951.39, 0.00289771/step, 2.92733 hours remaining, 210.468750 MB of memory in use. ENERGY: 1363200 792.4595 2053.6432 1926.5027 102.6663 -205959.8751 17631.9427 0.0000 0.0000 34365.2129 -149087.4478 300.1200 -183452.6607 -148989.5924 299.7254 -122.1269 -88.3397 558686.5645 1.4271 1.5567 PRESSURE: 1363400 -2.52691 -125.674 7.12259 -125.674 167.448 13.9547 7.12108 13.9545 -193.913 GPRESSURE: 1363400 -0.312972 -108.581 10.1203 -95.405 224.539 82.2626 68.1838 43.6353 -152.25 PRESSAVG: 1363400 -17.3916 53.9242 50.3627 53.9242 13.9584 -55.5598 50.3626 -55.5598 -25.8262 GPRESSAVG: 1363400 -16.7974 56.0182 50.5693 51.9059 12.0675 -56.3246 48.8741 -55.1777 -24.1801 TIMING: 1363400 CPU: 3951.98, 0.00292091/step Wall: 3951.98, 0.00292091/step, 2.95061 hours remaining, 210.468750 MB of memory in use. ENERGY: 1363400 720.4074 2113.9135 1927.6385 98.2357 -205699.9873 17617.6492 0.0000 0.0000 34165.3508 -149056.7922 298.3745 -183222.1430 -148961.7073 299.6972 -9.6638 23.9919 558968.6351 -9.7531 -9.6367 PRESSURE: 1363600 81.2241 140.708 -108.386 140.709 -123.156 -127.662 -108.386 -127.662 -106.101 GPRESSURE: 1363600 118.346 81.0184 -86.3541 148.884 -86.3222 -128.164 -38.0144 -80.6137 -92.0448 PRESSAVG: 1363600 -8.61562 -52.6314 10.9071 -52.6313 0.119882 10.4818 10.907 10.4819 -21.2965 GPRESSAVG: 1363600 -9.60375 -54.3952 12.8898 -50.9728 1.32386 12.2995 9.25173 8.57776 -21.4214 TIMING: 1363600 CPU: 3952.56, 0.00290146/step Wall: 3952.56, 0.00290146/step, 2.9308 hours remaining, 210.468750 MB of memory in use. ENERGY: 1363600 728.5745 2068.3161 1929.6017 113.2694 -205612.6043 17630.5291 0.0000 0.0000 34242.9660 -148899.3474 299.0523 -183142.3135 -148801.3433 298.9198 -49.3443 -20.0071 558922.8015 -9.9308 -9.9004 PRESSURE: 1363800 -144.758 -3.17249 182.81 -3.17323 -75.3036 -114.045 182.811 -114.046 -61.7403 GPRESSURE: 1363800 -84.8778 -11.1556 217.908 20.5577 -61.9308 -108.946 190.145 -141.263 -18.9778 PRESSAVG: 1363800 46.954 14.0501 15.8527 14.05 -49.9839 22.5327 15.8527 22.5327 -17.0372 GPRESSAVG: 1363800 47.161 11.3937 17.6298 15.938 -49.6296 21.7603 15.9888 23.4517 -17.6895 TIMING: 1363800 CPU: 3953.14, 0.0029248/step Wall: 3953.14, 0.0029248/step, 2.95421 hours remaining, 210.468750 MB of memory in use. ENERGY: 1363800 774.7576 2036.5747 1946.1438 113.7518 -205950.5604 17795.6182 0.0000 0.0000 34366.2270 -148917.4873 300.1288 -183283.7143 -148818.6245 299.4812 -93.9339 -55.2621 559044.8007 -6.6891 -6.7193 PRESSURE: 1364000 159.447 -69.6523 -47.1771 -69.6524 219.006 15.8718 -47.1767 15.8723 -144.647 GPRESSURE: 1364000 174.121 -60.0392 -140.159 1.01722 268.003 63.1092 12.4958 -4.62766 -118.178 PRESSAVG: 1364000 18.0858 -65.6477 -43.278 -65.6477 -95.415 22.8611 -43.278 22.8611 52.5571 GPRESSAVG: 1364000 18.1924 -64.4519 -44.8675 -67.0601 -95.6437 22.3422 -42.4858 22.1392 52.4284 TIMING: 1364000 CPU: 3953.72, 0.00290943/step Wall: 3953.72, 0.00290943/step, 2.93853 hours remaining, 210.468750 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: 1364000 754.4042 2111.3560 1916.5352 119.2999 -206012.6942 17667.5331 0.0000 0.0000 34535.9919 -148907.5738 301.6114 -183443.5657 -148807.6680 300.8820 77.9354 107.9818 556152.9799 -8.2574 -8.3410 PRESSURE: 1364200 -255.935 111.787 -4.35588 111.787 -126.628 105.967 -4.3561 105.967 -100.672 GPRESSURE: 1364200 -230.605 89.3798 35.3791 102.332 -122.156 56.2677 -66.8402 147.174 -31.6772 PRESSAVG: 1364200 -19.8922 -8.35209 -10.3192 -8.35212 -21.4968 -7.74391 -10.3191 -7.74398 46.0365 GPRESSAVG: 1364200 -20.5025 -8.3247 -8.89784 -6.99942 -21.3231 -7.87181 -11.4146 -6.13792 45.7507 TIMING: 1364200 CPU: 3954.3, 0.0028778/step Wall: 3954.3, 0.0028778/step, 2.90641 hours remaining, 210.468750 MB of memory in use. ENERGY: 1364200 759.6734 2063.5315 1949.2052 100.3543 -205578.6686 17544.5744 0.0000 0.0000 34194.4330 -148966.8968 298.6285 -183161.3298 -148867.0963 300.4142 -161.0781 -128.1459 557538.4380 1.5492 1.3083 LDB: ============= START OF LOAD BALANCING ============== 3957.68 LDB: ============== END OF LOAD BALANCING =============== 3957.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3957.68 LDB: ============= START OF LOAD BALANCING ============== 3957.97 LDB: Largest compute 4822 load 0.023056 is 19.5% of average load 0.117952 LDB: Average compute 0.001723 is 1.5% of average load 0.117952 LDB: TIME 3957.98 LOAD: AVG 0.117952 MAX 0.185649 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.352 MB LDB: TIME 3957.98 LOAD: AVG 0.117952 MAX 0.185649 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.422 MB LDB: TIME 3957.98 LOAD: AVG 0.117952 MAX 0.185649 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.422 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3957.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3957.98 PRESSURE: 1364400 81.325 -94.5044 0.934462 -94.5044 -54.4132 38.992 0.93528 38.9911 -110.141 GPRESSURE: 1364400 127.043 -158.399 -54.8374 -105.93 -35.4 -47.1965 59.6563 133.547 -55.7921 PRESSAVG: 1364400 -31.2094 21.2605 -33.787 21.2606 10.7478 -26.4388 -33.787 -26.4389 -6.58607 GPRESSAVG: 1364400 -30.4856 22.4885 -36.8291 19.8252 9.32395 -27.2738 -32.7269 -26.8388 -5.91074 TIMING: 1364400 CPU: 3954.89, 0.00294571/step Wall: 3954.89, 0.00294571/step, 2.97484 hours remaining, 207.472656 MB of memory in use. ENERGY: 1364400 740.0768 2049.4860 1918.2425 100.9573 -205950.9680 17906.4382 0.0000 0.0000 34258.5451 -148977.2220 299.1884 -183235.7671 -148872.6497 299.6517 -27.7430 11.9505 557734.6440 -9.0159 -9.0241 PRESSURE: 1364600 -239.326 100.768 113.388 100.768 -323.995 51.9926 113.389 51.9941 -105.61 GPRESSURE: 1364600 -249.845 108.922 121.727 51.7933 -276.013 15.0631 84.3438 108.625 -57.5602 PRESSAVG: 1364600 31.489 -7.24551 -10.7534 -7.24554 8.03494 43.3008 -10.7534 43.3008 -28.486 GPRESSAVG: 1364600 31.4914 -9.32492 -10.3299 -4.86449 8.15082 43.7748 -10.3587 45.2364 -28.673 TIMING: 1364600 CPU: 3955.46, 0.00288051/step Wall: 3955.46, 0.00288051/step, 2.90883 hours remaining, 207.578125 MB of memory in use. ENERGY: 1364600 785.1079 2050.6202 1920.8010 115.5416 -205944.0078 17599.5078 0.0000 0.0000 34318.5948 -149153.8346 299.7128 -183472.4293 -149053.2900 299.1018 -222.9771 -194.4729 558203.6575 3.6793 3.6564 PRESSURE: 1364800 -20.5918 102.01 129.758 102.011 177.936 -24.8675 129.758 -24.8681 51.3974 GPRESSURE: 1364800 41.7503 48.2037 62.0085 46.2757 183.296 -76.4519 117.712 26.5118 89.394 PRESSAVG: 1364800 -10.1474 69.9478 25.7539 69.9477 68.0095 31.2499 25.7538 31.2499 -12.806 GPRESSAVG: 1364800 -9.4353 70.1758 25.2708 69.1395 68.9209 32.0219 24.86 29.3887 -14.1992 TIMING: 1364800 CPU: 3956.04, 0.00288422/step Wall: 3956.04, 0.00288422/step, 2.91242 hours remaining, 207.578125 MB of memory in use. ENERGY: 1364800 771.3665 2034.0440 1947.2374 121.2187 -206341.8175 18061.1970 0.0000 0.0000 34411.2686 -148995.4854 300.5222 -183406.7540 -148905.5872 298.9083 69.5807 104.8135 557429.9168 15.0187 15.0955 PRESSURE: 1365000 19.7568 95.0251 110.985 95.0263 46.0271 213.033 110.985 213.033 -1.10913 GPRESSURE: 1365000 49.7739 19.2065 112.597 133.22 81.7933 234.548 32.7818 162.986 25.0277 PRESSAVG: 1365000 105.741 73.4617 20.0123 73.4617 -18.5022 31.4239 20.0123 31.424 -42.517 GPRESSAVG: 1365000 105.794 75.0472 20.7289 72.1131 -19.4551 31.7186 19.6191 33.6223 -41.6346 TIMING: 1365000 CPU: 3956.62, 0.00289883/step Wall: 3956.62, 0.00289883/step, 2.92702 hours remaining, 207.578125 MB of memory in use. ENERGY: 1365000 758.4466 2092.4819 1942.6492 115.0972 -206122.6691 17804.7859 0.0000 0.0000 34396.3846 -149012.8238 300.3922 -183409.2084 -148926.0236 300.0280 21.5583 52.1983 558994.9142 14.9073 14.9013 PRESSURE: 1365200 -107.373 -29.4782 -69.9982 -29.4781 -195.465 -50.6282 -69.9998 -50.6285 -318.956 GPRESSURE: 1365200 -81.209 -86.3753 -87.6999 22.6867 -124.952 -85.6032 -18.6209 10.8693 -315.97 PRESSAVG: 1365200 -3.60013 41.2602 -7.00131 41.2602 1.19305 13.0327 -7.0012 13.0327 -21.8367 GPRESSAVG: 1365200 -4.71727 41.7434 -7.7095 43.4339 2.99531 13.8293 -4.83391 10.005 -22.3376 TIMING: 1365200 CPU: 3957.2, 0.00288763/step Wall: 3957.2, 0.00288763/step, 2.91554 hours remaining, 207.578125 MB of memory in use. ENERGY: 1365200 729.0402 2083.2566 1946.3624 118.3084 -205308.1806 17429.0616 0.0000 0.0000 34079.7416 -148922.4098 297.6269 -183002.1514 -148822.8406 299.3321 -207.2648 -174.0437 558730.5204 -8.0813 -8.0199 PRESSURE: 1365400 -220.673 6.28906 102.296 6.28944 -100.392 50.0882 102.297 50.0888 -56.0656 GPRESSURE: 1365400 -146.153 -12.6228 201.153 -13.4256 -104.471 13.3274 100.68 -6.72098 -21.6669 PRESSAVG: 1365400 -24.5647 29.1882 -10.1492 29.1882 48.2428 -18.5635 -10.1492 -18.5635 -46.6297 GPRESSAVG: 1365400 -23.9628 28.9755 -7.68771 25.7962 47.2952 -20.6132 -11.3612 -17.139 -45.872 TIMING: 1365400 CPU: 3957.78, 0.00288918/step Wall: 3957.78, 0.00288918/step, 2.91695 hours remaining, 207.578125 MB of memory in use. ENERGY: 1365400 743.4901 2129.0051 1932.7769 110.5781 -205863.4392 17605.1496 0.0000 0.0000 34441.4660 -148900.9735 300.7859 -183342.4395 -148801.2866 300.1352 -125.7102 -90.7637 558994.8515 -7.6506 -7.5132 PRESSURE: 1365600 167.182 103.377 27.6726 103.379 225.629 -122.528 27.6722 -122.527 317.063 GPRESSURE: 1365600 210.094 106.443 31.5056 91.2547 293.963 -136.819 -43.5463 -170.085 303.257 PRESSAVG: 1365600 -62.8721 8.38044 7.7309 8.38033 17.6449 2.08949 7.73084 2.08956 5.7937 GPRESSAVG: 1365600 -61.494 8.00977 6.14871 10.9287 17.4425 3.58117 7.73415 0.914274 4.96193 TIMING: 1365600 CPU: 3958.35, 0.00288584/step Wall: 3958.35, 0.00288584/step, 2.91341 hours remaining, 207.578125 MB of memory in use. ENERGY: 1365600 746.6057 2044.5542 1951.2977 117.4732 -206099.2175 18069.8408 0.0000 0.0000 34352.2535 -148817.1925 300.0068 -183169.4460 -148713.3700 299.8503 236.6250 269.1043 557607.1205 -13.1445 -13.0298 PRESSURE: 1365800 -187.836 59.8339 -258.681 59.8356 -304.076 -3.2553 -258.681 -3.25282 -298.337 GPRESSURE: 1365800 -158.056 130.034 -155.052 37.8567 -252.902 -12.7705 -202.861 -49.9937 -283.071 PRESSAVG: 1365800 -48.6963 15.9177 47.4204 15.9177 70.9195 -7.85082 47.4204 -7.85073 -8.59049 GPRESSAVG: 1365800 -49.3736 17.6089 47.646 14.5093 71.4214 -8.18429 46.7202 -8.79516 -8.57674 TIMING: 1365800 CPU: 3958.94, 0.00292861/step Wall: 3958.94, 0.00292861/step, 2.95643 hours remaining, 207.578125 MB of memory in use. ENERGY: 1365800 763.2880 2103.2212 1972.5111 134.7881 -205387.2098 17389.0410 0.0000 0.0000 34220.3039 -148804.0563 298.8544 -183024.3603 -148711.0081 300.7537 -263.4163 -231.3432 559586.5587 4.5442 4.4903 PRESSURE: 1366000 113.84 34.453 66.0688 34.4516 48.6348 -139.594 66.0686 -139.594 40.7069 GPRESSURE: 1366000 157.332 39.8173 45.8857 -34.1988 26.4293 6.8734 108.142 -253.284 106.907 PRESSAVG: 1366000 -10.5056 42.3029 -21.5748 42.3029 44.0558 37.1769 -21.5747 37.1768 -65.7323 GPRESSAVG: 1366000 -10.688 41.0778 -21.6189 41.8949 43.6897 38.1787 -20.589 36.6275 -65.2361 TIMING: 1366000 CPU: 3959.52, 0.00290317/step Wall: 3959.52, 0.00290317/step, 2.93058 hours remaining, 207.578125 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: 1366000 753.5539 2050.6474 1951.0629 117.5487 -206303.4633 17996.8542 0.0000 0.0000 34531.9674 -148901.8287 301.5763 -183433.7961 -148806.0482 300.1790 67.7274 96.8895 558827.1414 -10.7274 -10.7448 PRESSURE: 1366200 -40.1979 79.6229 24.8265 79.6236 337.313 -46.82 24.827 -46.8201 -92.1476 GPRESSURE: 1366200 71.1847 81.4389 -21.583 51.6463 316.627 16.9816 42.503 -56.4815 -84.61 PRESSAVG: 1366200 -40.4899 14.1458 -12.2608 14.1458 72.3543 -8.0454 -12.2607 -8.0454 2.65431 GPRESSAVG: 1366200 -39.9789 12.8284 -13.2791 16.5751 72.6517 -8.95234 -11.8222 -7.75023 1.66436 TIMING: 1366200 CPU: 3960.1, 0.00290778/step Wall: 3960.1, 0.00290778/step, 2.93508 hours remaining, 207.578125 MB of memory in use. ENERGY: 1366200 757.1928 2107.1608 1942.1925 114.6987 -206308.0150 17905.9578 0.0000 0.0000 34438.2681 -149042.5442 300.7580 -183480.8123 -148942.8112 299.8466 68.3224 101.0674 557886.6529 11.5062 11.4457 PRESSURE: 1366400 -13.9914 54.5666 -34.3581 54.5668 -147.44 -130.826 -34.357 -130.824 -229.058 GPRESSURE: 1366400 0.913937 52.8607 -53.1368 132.108 -131.267 -42.9709 -59.6682 -117.106 -149.357 PRESSAVG: 1366400 -48.991 -48.1165 45.1293 -48.1165 44.093 -22.4763 45.1292 -22.4764 -43.2582 GPRESSAVG: 1366400 -49.1497 -46.439 45.34 -49.4089 43.1634 -22.8246 43.7999 -20.0909 -42.4069 TIMING: 1366400 CPU: 3960.68, 0.00289007/step Wall: 3960.68, 0.00289007/step, 2.91705 hours remaining, 207.578125 MB of memory in use. ENERGY: 1366400 738.1065 2114.3737 1931.4834 114.5317 -205805.2131 17439.8811 0.0000 0.0000 34319.2997 -149147.5371 299.7190 -183466.8368 -149051.3345 299.8198 -130.1629 -93.2368 558562.8734 -16.0521 -16.1310 PRESSURE: 1366600 -181.714 6.01728 47.9676 6.01646 42.1159 -64.6607 47.9665 -64.6603 53.7801 GPRESSURE: 1366600 -162.754 45.6007 4.69319 -10.6934 124.525 -38.361 122.57 -96.5398 39.6451 PRESSAVG: 1366600 -28.4185 -41.734 16.6502 -41.7339 9.0945 -5.22624 16.6502 -5.22624 -6.20275 GPRESSAVG: 1366600 -28.4745 -42.9371 14.8164 -42.4764 9.65678 -4.78175 18.3228 -7.15125 -6.6473 TIMING: 1366600 CPU: 3961.26, 0.00288954/step Wall: 3961.26, 0.00288954/step, 2.91635 hours remaining, 207.578125 MB of memory in use. ENERGY: 1366600 776.1466 2106.9220 1967.6715 125.9354 -206078.2296 17737.9896 0.0000 0.0000 34204.1904 -149159.3742 298.7137 -183363.5646 -149065.9651 299.4530 -28.6061 0.4721 558020.9863 -8.5089 -8.4883 PRESSURE: 1366800 -161.932 -24.7665 21.8193 -24.7653 -138.301 -45.8262 21.8182 -45.8244 -78.5785 GPRESSURE: 1366800 -88.4719 -9.13674 35.1832 -88.9433 -83.7224 -62.1647 28.1737 -126.61 -115.997 PRESSAVG: 1366800 15.9037 -23.4759 32.2185 -23.4758 -9.60691 -14.2693 32.2185 -14.2692 -0.930723 GPRESSAVG: 1366800 15.7173 -22.1844 34.4178 -23.3027 -9.08953 -13.3345 31.6458 -14.4125 -1.26102 TIMING: 1366800 CPU: 3961.84, 0.0029053/step Wall: 3961.84, 0.0029053/step, 2.93209 hours remaining, 207.578125 MB of memory in use. ENERGY: 1366800 759.0547 2103.4808 1950.0457 122.8139 -205981.7688 17688.8456 0.0000 0.0000 34351.2375 -149006.2906 299.9979 -183357.5281 -148912.4826 300.1042 -126.2707 -96.0637 558372.5462 1.7887 1.7889 PRESSURE: 1367000 192.409 -105.496 116.406 -105.495 14.6049 59.9585 116.409 59.9575 88.3247 GPRESSURE: 1367000 190.938 -164.202 74.4362 -36.4289 46.391 27.8077 109.39 15.1574 147.811 PRESSAVG: 1367000 12.5771 -2.99867 -33.068 -2.99874 3.89973 -25.4531 -33.0681 -25.4531 9.52294 GPRESSAVG: 1367000 12.821 -5.27323 -34.7483 -0.719002 4.18057 -25.9536 -32.6755 -24.2414 8.73047 TIMING: 1367000 CPU: 3962.42, 0.00289055/step Wall: 3962.42, 0.00289055/step, 2.91705 hours remaining, 207.578125 MB of memory in use. ENERGY: 1367000 723.9492 2126.2935 1929.0676 110.4207 -206248.9847 17903.0511 0.0000 0.0000 34357.5892 -149098.6133 300.0534 -183456.2025 -149003.5946 299.8256 98.4462 128.3802 557345.0055 8.6666 8.5773 PRESSURE: 1367200 215.936 3.82209 14.3919 3.82156 -24.4674 -17.1585 14.3917 -17.1589 217.483 GPRESSURE: 1367200 214.173 65.8892 -27.6404 -137.465 43.3223 -23.482 -2.73592 -56.1494 238.61 PRESSAVG: 1367200 -15.3412 36.3691 11.6915 36.3692 19.786 10.2281 11.6914 10.2281 7.41601 GPRESSAVG: 1367200 -15.8091 35.771 12.9141 34.7412 19.1267 10.1258 12.4393 9.66522 8.57623 TIMING: 1367200 CPU: 3963, 0.00290344/step Wall: 3963, 0.00290344/step, 2.9299 hours remaining, 207.578125 MB of memory in use. ENERGY: 1367200 714.0429 2116.4070 1952.2954 107.7450 -206210.8767 17952.6824 0.0000 0.0000 34225.3973 -149142.3067 298.8989 -183367.7040 -149044.8012 299.2942 136.3170 165.3686 557763.4263 3.9536 3.9646 PRESSURE: 1367400 -11.4249 119.719 -78.0459 119.72 -254.587 42.8436 -78.0458 42.8459 -140.346 GPRESSURE: 1367400 4.81523 153.961 41.1582 105.828 -219.698 -31.3062 -104.044 46.4972 -92.7358 PRESSAVG: 1367400 16.1234 74.1302 -8.54691 74.1302 -1.16037 -35.7101 -8.54698 -35.7101 36.6864 GPRESSAVG: 1367400 17.0424 74.0377 -6.66765 76.0004 -1.06065 -38.2391 -10.5563 -36.7535 36.3375 TIMING: 1367400 CPU: 3963.57, 0.00288839/step Wall: 3963.57, 0.00288839/step, 2.91454 hours remaining, 207.578125 MB of memory in use. ENERGY: 1367400 750.0919 2091.0738 1935.8152 121.8875 -206087.1923 17809.2779 0.0000 0.0000 34190.2574 -149188.7886 298.5920 -183379.0460 -149091.4287 299.8157 -135.4525 -102.5395 556640.8196 17.2165 17.4398 PRESSURE: 1367600 -20.4314 155.976 -164.702 155.975 92.1084 -67.7626 -164.704 -67.7618 225.764 GPRESSURE: 1367600 16.5755 178.401 -172.456 162.653 109.649 -10.7494 -141.199 -136.35 272.963 PRESSAVG: 1367600 21.6452 -1.24043 -33.8934 -1.24045 -52.6861 21.4906 -33.8933 21.4907 -13.135 GPRESSAVG: 1367600 22.1226 0.577102 -37.8227 -2.96949 -52.1113 24.0579 -31.3783 21.3401 -13.8427 TIMING: 1367600 CPU: 3964.15, 0.00289367/step Wall: 3964.15, 0.00289367/step, 2.91971 hours remaining, 207.578125 MB of memory in use. ENERGY: 1367600 729.0131 2084.1509 1931.7943 118.3155 -206355.5345 17952.8617 0.0000 0.0000 34226.5453 -149312.8537 298.9089 -183539.3991 -149216.6318 299.0743 99.1469 133.0625 557423.5120 -14.7253 -14.6105 PRESSURE: 1367800 43.0464 -159.15 269.679 -159.151 -107.748 -107.929 269.679 -107.931 -37.511 GPRESSURE: 1367800 54.6529 -148.895 340.781 -121.238 -24.3389 -35.9491 249.387 -148.423 -41.1056 PRESSAVG: 1367800 -16.743 4.65719 4.31904 4.6571 -11.6598 -57.2425 4.31903 -57.2426 17.6235 GPRESSAVG: 1367800 -18.1442 3.01089 6.69668 5.0076 -12.539 -57.1395 1.28354 -55.7473 19.7261 TIMING: 1367800 CPU: 3964.73, 0.00288934/step Wall: 3964.73, 0.00288934/step, 2.91519 hours remaining, 207.578125 MB of memory in use. ENERGY: 1367800 736.7594 2092.1203 1938.5676 109.4023 -206401.0709 17798.3951 0.0000 0.0000 34467.6541 -149258.1721 301.0146 -183725.8262 -149159.9407 299.3261 -34.0709 -3.5972 557908.0452 -3.5931 -3.6524 PRESSURE: 1368000 -368.045 -55.8666 13.036 -55.8686 -51.6393 -166.372 13.0355 -166.372 86.7369 GPRESSURE: 1368000 -305.746 -119.741 37.7377 -56.9549 -28.5095 -128.105 -0.700895 -230.405 97.6182 PRESSAVG: 1368000 -14.0299 -58.4392 17.4403 -58.4392 -7.82742 -21.3313 17.4403 -21.3315 -3.5953 GPRESSAVG: 1368000 -11.9185 -58.2605 17.8593 -58.3999 -7.43798 -23.2818 19.4079 -20.4898 -5.27481 TIMING: 1368000 CPU: 3965.31, 0.00291141/step Wall: 3965.31, 0.00291141/step, 2.93728 hours remaining, 207.578125 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: 1368000 767.4160 2089.1194 1940.2940 107.0023 -205810.8413 17590.9505 0.0000 0.0000 34245.2741 -149070.7849 299.0725 -183316.0590 -148962.8439 299.6040 -110.9826 -78.8792 558036.2213 -8.4842 -8.2104 PRESSURE: 1368200 -85.7628 -26.0398 -6.74848 -26.0388 -161.39 -71.5166 -6.74785 -71.5168 -85.281 GPRESSURE: 1368200 -12.3272 -111.824 -12.851 -63.8733 -146.042 -61.9694 -11.6121 -33.2818 -72.8666 PRESSAVG: 1368200 -48.524 -20.7486 10.3036 -20.7486 0.37472 -7.31093 10.3036 -7.31092 75.6352 GPRESSAVG: 1368200 -49.2772 -19.3184 9.41326 -20.999 1.56584 -5.92483 9.62748 -10.6401 75.9258 TIMING: 1368200 CPU: 3965.89, 0.00290433/step Wall: 3965.89, 0.00290433/step, 2.92999 hours remaining, 207.578125 MB of memory in use. ENERGY: 1368200 759.0558 2060.0841 1940.8525 110.6560 -206129.0004 17831.2133 0.0000 0.0000 34330.8592 -149096.2796 299.8199 -183427.1387 -149002.1304 299.1211 -110.8113 -77.0786 559320.7201 9.1620 9.4048 LDB: ============= START OF LOAD BALANCING ============== 3969.28 LDB: ============== END OF LOAD BALANCING =============== 3969.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3969.28 LDB: ============= START OF LOAD BALANCING ============== 3969.57 LDB: Largest compute 4794 load 0.023680 is 20.1% of average load 0.117963 LDB: Average compute 0.001727 is 1.5% of average load 0.117963 LDB: TIME 3969.57 LOAD: AVG 0.117963 MAX 0.184167 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.602 MB LDB: TIME 3969.57 LOAD: AVG 0.117963 MAX 0.184167 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.844 MB LDB: TIME 3969.57 LOAD: AVG 0.117963 MAX 0.184167 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3969.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3969.58 PRESSURE: 1368400 83.8481 58.4674 94.1623 58.4663 -30.9349 -140.94 94.1622 -140.94 78.2859 GPRESSURE: 1368400 135.093 11.7913 99.1514 -13.9155 -65.5459 -179.949 66.4946 -201.124 143.663 PRESSAVG: 1368400 -13.9533 45.4079 32.9223 45.4079 -43.9942 -12.8926 32.9223 -12.8926 86.5373 GPRESSAVG: 1368400 -14.117 44.8858 33.8606 44.0336 -44.3281 -12.2399 34.1886 -14.1189 86.7168 TIMING: 1368400 CPU: 3966.49, 0.00295718/step Wall: 3966.49, 0.00295718/step, 2.98314 hours remaining, 209.171875 MB of memory in use. ENERGY: 1368400 738.4387 2116.6264 1945.6858 116.4748 -206212.4126 17801.9033 0.0000 0.0000 34366.8361 -149126.4473 300.1341 -183493.2834 -149032.1293 299.1770 43.7330 71.0700 558029.6264 9.5299 9.4239 PRESSURE: 1368600 -243.554 -92.9831 88.5138 -92.9829 116.616 -45.9624 88.5143 -45.9619 -207.199 GPRESSURE: 1368600 -166.015 -65.5626 15.653 -18.6807 91.0481 53.4212 106.995 -30.3753 -164.08 PRESSAVG: 1368600 -15.3879 -0.684354 24.4818 -0.684374 23.2865 9.11849 24.4817 9.11849 -39.4335 GPRESSAVG: 1368600 -15.9341 0.246316 25.4022 1.17993 22.8368 7.99968 24.6687 12.6711 -38.6025 TIMING: 1368600 CPU: 3967.06, 0.0028904/step Wall: 3967.06, 0.0028904/step, 2.91561 hours remaining, 209.171875 MB of memory in use. ENERGY: 1368600 710.8302 2073.5383 1972.0616 103.9184 -205980.4082 17628.6050 0.0000 0.0000 34225.1185 -149266.3362 298.8965 -183491.4547 -149161.4016 299.3592 -111.3792 -79.6823 558735.2752 -10.5116 -10.5666 PRESSURE: 1368800 -137.109 58.236 189.597 58.2363 -193.034 -18.2545 189.6 -18.2549 -329.363 GPRESSURE: 1368800 -105.667 27.1693 221.554 122.085 -188.634 -90.6193 157.751 31.7621 -284.499 PRESSAVG: 1368800 -11.6895 -30.6394 14.6476 -30.6394 22.8764 11.3385 14.6477 11.3386 -19.9961 GPRESSAVG: 1368800 -10.6626 -29.6881 14.3408 -32.4315 22.9681 11.0186 12.0519 11.9502 -20.9717 TIMING: 1368800 CPU: 3967.64, 0.00289731/step Wall: 3967.64, 0.00289731/step, 2.92242 hours remaining, 209.171875 MB of memory in use. ENERGY: 1368800 743.0857 2140.6222 1927.5847 114.9035 -206134.6414 17558.4469 0.0000 0.0000 34188.5957 -149461.4027 298.5775 -183649.9984 -149364.7506 299.0656 -219.8353 -192.9334 558521.6091 -2.9364 -2.8887 PRESSURE: 1369000 -314.349 -123.333 37.966 -123.333 94.1583 -9.50364 37.9657 -9.50318 207.835 GPRESSURE: 1369000 -268.795 -101.317 96.4101 -73.9856 131.491 61.9597 -57.3997 -71.6365 215.941 PRESSAVG: 1369000 -39.0898 -50.8342 22.1043 -50.8342 -6.60981 -55.6798 22.1041 -55.6799 40.4178 GPRESSAVG: 1369000 -40.1101 -52.445 19.4029 -50.0044 -6.26421 -56.6313 23.4265 -57.6856 41.0751 TIMING: 1369000 CPU: 3968.22, 0.00287929/step Wall: 3968.22, 0.00287929/step, 2.90409 hours remaining, 209.375000 MB of memory in use. ENERGY: 1369000 731.9084 2088.5059 1951.2592 121.7793 -206378.7172 17800.4108 0.0000 0.0000 34055.0382 -149629.8155 297.4111 -183684.8537 -149527.3361 297.9819 -4.1185 26.2122 555379.6934 -1.7606 -1.7664 PRESSURE: 1369200 -155.801 38.7572 -37.1391 38.757 -98.7265 75.5145 -37.1391 75.5159 167.447 GPRESSURE: 1369200 -132.346 -5.18201 7.38669 32.0091 -67.7972 -23.0696 -87.8646 210.795 205.555 PRESSAVG: 1369200 -17.0999 -52.0345 32.4808 -52.0345 -3.59798 -4.34766 32.4808 -4.34758 56.3608 GPRESSAVG: 1369200 -17.2399 -52.953 35.0379 -51.2189 -3.44424 -3.11743 31.268 -1.49706 56.6563 TIMING: 1369200 CPU: 3968.79, 0.00287401/step Wall: 3968.79, 0.00287401/step, 2.8986 hours remaining, 209.375000 MB of memory in use. ENERGY: 1369200 721.3297 2128.6920 1939.5580 107.3288 -206274.6675 17665.0002 0.0000 0.0000 34006.6644 -149706.0944 296.9887 -183712.7588 -149613.3084 297.2876 -29.0269 1.8040 556721.1761 11.8876 11.9907 PRESSURE: 1369400 -270.906 -120.274 28.4927 -120.274 -115.75 -67.7102 28.4927 -67.7107 -83.3074 GPRESSURE: 1369400 -258.451 -109.477 32.2818 -170.617 -38.7035 -81.2777 64.9482 -70.7141 -63.1544 PRESSAVG: 1369400 -39.8995 -40.502 51.4067 -40.5021 2.43598 7.90529 51.4066 7.90529 47.4346 GPRESSAVG: 1369400 -39.2491 -38.4581 51.9562 -41.1218 2.14278 7.62379 52.0541 6.28479 47.0095 TIMING: 1369400 CPU: 3969.37, 0.00288719/step Wall: 3969.37, 0.00288719/step, 2.91173 hours remaining, 209.578125 MB of memory in use. ENERGY: 1369400 747.5373 2135.0301 1946.4368 119.2649 -206415.3210 17784.9093 0.0000 0.0000 33972.9184 -149709.2243 296.6939 -183682.1427 -149614.9317 297.4600 -156.6542 -120.1031 556921.5323 3.3237 3.3010 PRESSURE: 1369600 -162.373 -80.1296 36.2106 -80.1274 136.181 98.5271 36.2106 98.528 -183.312 GPRESSURE: 1369600 -121.146 18.1846 83.1723 -54.3491 113.108 95.5096 30.472 118.035 -105.625 PRESSAVG: 1369600 -21.393 10.8267 32.9787 10.8266 26.1446 -23.6376 32.9788 -23.6376 -18.1021 GPRESSAVG: 1369600 -22.0802 8.59856 30.5128 11.5228 26.0824 -22.5597 35.0277 -24.7741 -17.5475 TIMING: 1369600 CPU: 3969.95, 0.0028865/step Wall: 3969.95, 0.0028865/step, 2.91087 hours remaining, 209.578125 MB of memory in use. ENERGY: 1369600 741.3288 2085.7742 1949.2024 116.1596 -206287.3784 17710.7310 0.0000 0.0000 34146.5313 -149537.6512 298.2102 -183684.1825 -149443.3368 297.8658 -69.8346 -37.8875 556906.0140 -4.4501 -4.5151 PRESSURE: 1369800 127.588 -168.548 -74.6666 -168.547 -76.7141 -12.385 -74.6673 -12.3841 -159.766 GPRESSURE: 1369800 223.233 -92.6357 -35.7805 -162.203 -62.5681 -50.7669 -134.627 -78.6351 -185.854 PRESSAVG: 1369800 -34.6321 -58.513 -1.34703 -58.513 13.0982 -5.34259 -1.34706 -5.3425 27.0891 GPRESSAVG: 1369800 -33.9922 -58.5449 0.50484 -59.8964 12.9342 -7.05252 -3.03763 -3.75178 26.5053 TIMING: 1369800 CPU: 3970.52, 0.00288511/step Wall: 3970.52, 0.00288511/step, 2.90932 hours remaining, 209.578125 MB of memory in use. ENERGY: 1369800 761.8967 2083.3623 1941.9805 108.5627 -206347.7935 17820.0144 0.0000 0.0000 34177.5779 -149454.3990 298.4813 -183631.9768 -149355.3535 298.1661 -36.2975 -8.3961 557779.9756 1.8517 1.8158 PRESSURE: 1370000 122.259 109.604 -59.0965 109.605 -5.73274 -59.724 -59.0978 -59.725 67.6661 GPRESSURE: 1370000 196.126 134.789 -99.32 98.1316 38.9283 -1.10326 -38.6547 -76.2506 45.5482 PRESSAVG: 1370000 20.1191 -12.4716 -1.83746 -12.4717 16.9724 9.24828 -1.83746 9.2483 -24.381 GPRESSAVG: 1370000 18.509 -12.5915 -5.25779 -11.9188 18.4894 11.481 0.358972 9.96504 -23.64 TIMING: 1370000 CPU: 3971.1, 0.00288663/step Wall: 3971.1, 0.00288663/step, 2.91068 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1370000 757.6009 2075.0469 1931.2278 102.8031 -206521.7083 18112.0467 0.0000 0.0000 33960.0542 -149582.9287 296.5816 -183542.9829 -149490.3591 298.1023 61.3976 93.5342 558012.4062 4.2368 4.4528 PRESSURE: 1370200 41.4011 -14.71 151.665 -14.7106 168.321 27.0728 151.665 27.0735 -19.2027 GPRESSURE: 1370200 75.7343 -16.3026 54.7294 27.9361 94.1008 -41.0662 220.915 24.3627 120.406 PRESSAVG: 1370200 9.32222 26.4336 -0.296504 26.4336 -5.37283 -0.350132 -0.296546 -0.350126 21.6265 GPRESSAVG: 1370200 11.366 27.9901 1.20934 27.4791 -6.06613 -0.802308 0.524581 -1.52274 20.6992 TIMING: 1370200 CPU: 3971.68, 0.00288237/step Wall: 3971.68, 0.00288237/step, 2.90623 hours remaining, 209.578125 MB of memory in use. ENERGY: 1370200 731.2066 2056.4397 1935.5939 124.0106 -206507.5981 17910.5124 0.0000 0.0000 34016.8956 -149732.9394 297.0780 -183749.8350 -149638.1859 298.3224 63.5063 96.7472 556366.8959 8.5253 8.6664 PRESSURE: 1370400 -113.029 174.978 -83.916 174.979 -2.24017 85.2989 -83.9157 85.2966 -131.584 GPRESSURE: 1370400 -111.123 140.681 -51.2201 202.28 48.3755 120.819 -147.961 58.8007 -90.4513 PRESSAVG: 1370400 10.8839 11.0366 -38.673 11.0365 3.40221 -13.1826 -38.6732 -13.1826 -9.45635 GPRESSAVG: 1370400 10.636 10.9075 -36.0516 9.41264 2.47339 -14.229 -41.4293 -13.6059 -8.74247 TIMING: 1370400 CPU: 3972.25, 0.00288018/step Wall: 3972.25, 0.00288018/step, 2.90386 hours remaining, 209.578125 MB of memory in use. ENERGY: 1370400 750.1565 2027.5090 1966.2058 126.9966 -206487.3926 17824.4444 0.0000 0.0000 34073.7499 -149718.3303 297.5745 -183792.0803 -149625.7551 297.8078 -82.2845 -51.0664 557746.2414 1.6099 1.4556 PRESSURE: 1370600 -166.782 -119.106 130.16 -119.106 -246.824 183.229 130.16 183.229 -140.278 GPRESSURE: 1370600 -148.665 -110.824 195.931 -113.58 -210.694 105.861 115.681 215.372 -89.9962 PRESSAVG: 1370600 21.4039 -44.4437 -26.261 -44.4437 -9.19987 -38.3504 -26.2611 -38.3505 31.7275 GPRESSAVG: 1370600 21.9256 -43.094 -28.831 -46.3996 -8.56562 -37.874 -27.117 -37.7168 30.226 TIMING: 1370600 CPU: 3972.83, 0.00288735/step Wall: 3972.83, 0.00288735/step, 2.91093 hours remaining, 209.578125 MB of memory in use. ENERGY: 1370600 778.3536 2065.2157 1930.7666 109.0045 -206504.7342 17829.4917 0.0000 0.0000 34169.0629 -149622.8392 298.4069 -183791.9021 -149533.1749 298.5141 -184.6279 -149.7851 556689.9032 14.6438 14.5287 PRESSURE: 1370800 -238.217 -62.7488 56.1405 -62.7485 -116.88 2.60724 56.1403 2.60646 45.3948 GPRESSURE: 1370800 -203.234 -64.1121 47.3379 -62.7942 -94.3284 -9.42791 55.607 28.8456 81.3429 PRESSAVG: 1370800 -56.4464 53.7851 16.3082 53.7852 -46.6799 -5.58994 16.3081 -5.58991 47.9559 GPRESSAVG: 1370800 -57.1284 50.8746 17.0176 55.6134 -46.2717 -7.41313 17.4933 -3.12304 48.2074 TIMING: 1370800 CPU: 3973.41, 0.00287368/step Wall: 3973.41, 0.00287368/step, 2.89699 hours remaining, 209.578125 MB of memory in use. ENERGY: 1370800 776.2758 2037.8687 1940.8216 104.8479 -206194.2500 17817.0399 0.0000 0.0000 34069.5512 -149447.8450 297.5379 -183517.3962 -149349.9577 297.8600 -103.2341 -72.0732 558176.0152 -18.3901 -18.3976 PRESSURE: 1371000 202.21 60.8389 -101.899 60.8392 -147.199 107.298 -101.898 107.298 -310.141 GPRESSURE: 1371000 188.919 -25.8056 -98.9892 71.9463 -86.5599 141.467 -87.9871 101.228 -268.789 PRESSAVG: 1371000 -23.9664 -1.3169 -0.143558 -1.31687 52.4623 35.6555 -0.143596 35.6556 -4.51965 GPRESSAVG: 1371000 -23.4587 -0.410015 0.915954 0.107933 51.268 37.1878 0.348433 33.2642 -4.0702 TIMING: 1371000 CPU: 3973.98, 0.0028841/step Wall: 3973.98, 0.0028841/step, 2.90734 hours remaining, 209.578125 MB of memory in use. ENERGY: 1371000 740.4563 2035.3982 1948.9875 106.2899 -206147.9668 17781.4830 0.0000 0.0000 34064.7814 -149470.5705 297.4962 -183535.3519 -149357.7771 298.2199 -85.0435 -55.4768 557916.1295 7.9921 7.9130 PRESSURE: 1371200 177.659 -12.923 15.0363 -12.9227 142.183 121.445 15.036 121.446 184.871 GPRESSURE: 1371200 184.482 13.6724 -18.5344 -42.2046 170.872 100.524 -5.13523 58.1261 253.547 PRESSAVG: 1371200 34.4779 -99.6097 -12.58 -99.6097 21.1007 22.2633 -12.58 22.2633 -1.2943 GPRESSAVG: 1371200 33.0272 -98.4351 -13.845 -101.205 22.549 24.5697 -12.7797 20.551 -2.01221 TIMING: 1371200 CPU: 3974.56, 0.0028979/step Wall: 3974.56, 0.0028979/step, 2.92108 hours remaining, 209.578125 MB of memory in use. ENERGY: 1371200 680.4114 2042.3837 1940.3189 114.8862 -206395.8689 17967.9075 0.0000 0.0000 34253.2732 -149396.6881 299.1424 -183649.9613 -149298.7620 298.4904 168.2376 202.9669 556176.7378 18.0948 17.8547 PRESSURE: 1371400 -231.619 -171.555 30.4082 -171.555 -97.3803 -103.252 30.4083 -103.252 -95.6121 GPRESSURE: 1371400 -187.338 -184.671 84.5998 -145.784 -69.3024 -106.028 25.5264 -23.3168 -85.2389 PRESSAVG: 1371400 -28.8229 -59.8041 8.40104 -59.8042 13.3445 23.4316 8.40098 23.4315 -19.8579 GPRESSAVG: 1371400 -28.4293 -61.119 10.6091 -58.2295 13.3109 21.8685 8.38439 25.4989 -20.3844 TIMING: 1371400 CPU: 3975.15, 0.00293534/step Wall: 3975.15, 0.00293534/step, 2.95866 hours remaining, 209.578125 MB of memory in use. ENERGY: 1371400 779.8058 2045.7271 1955.5475 117.3178 -206042.5842 17600.5928 0.0000 0.0000 33997.3350 -149546.2581 296.9072 -183543.5932 -149451.7332 298.1279 -141.5372 -113.9597 556823.3565 -11.7788 -11.8343 PRESSURE: 1371600 -22.242 -60.1762 -52.3616 -60.1756 60.1904 -8.90901 -52.3617 -8.9093 -276.126 GPRESSURE: 1371600 -18.5872 -50.9251 40.4788 -121.933 74.2951 -7.03004 -44.9561 -29.9851 -211.701 PRESSAVG: 1371600 -42.0481 -56.9974 -77.0114 -56.9974 18.2829 -54.308 -77.0114 -54.308 14.2851 GPRESSAVG: 1371600 -43.0363 -55.7668 -76.9281 -57.9587 18.848 -53.7711 -77.1544 -54.7532 14.474 TIMING: 1371600 CPU: 3975.73, 0.00291271/step Wall: 3975.73, 0.00291271/step, 2.93569 hours remaining, 209.578125 MB of memory in use. ENERGY: 1371600 771.7576 2066.6319 1935.3849 117.7520 -206611.8470 17887.9088 0.0000 0.0000 34293.7458 -149538.6660 299.4958 -183832.4117 -149437.7758 298.4394 -79.3926 -51.9978 556476.2272 -3.1600 -3.2381 PRESSURE: 1371800 -37.3284 -46.0125 -65.8504 -46.0126 7.22771 -179.429 -65.8504 -179.43 -55.724 GPRESSURE: 1371800 14.4455 -32.5685 -92.7059 52.9443 -0.992469 -137.16 66.0681 -196.632 12.5667 PRESSAVG: 1371800 -59.3445 -1.83925 18.1494 -1.83923 31.2471 27.4017 18.1494 27.4017 55.6263 GPRESSAVG: 1371800 -58.4068 -2.22025 18.6838 0.516606 30.0022 27.7685 17.1688 29.2359 56.3451 TIMING: 1371800 CPU: 3976.31, 0.00288285/step Wall: 3976.31, 0.00288285/step, 2.90543 hours remaining, 209.578125 MB of memory in use. ENERGY: 1371800 741.5598 2119.4755 1938.5731 112.4191 -206289.2762 17745.2614 0.0000 0.0000 34088.4100 -149543.5773 297.7026 -183631.9873 -149442.7761 298.6594 -28.6082 8.6732 557081.8600 9.1763 9.3135 PRESSURE: 1372000 -82.2448 49.9094 -29.6164 49.9093 109.257 -136.291 -29.6168 -136.294 -131.41 GPRESSURE: 1372000 -147.572 -30.8481 2.44914 78.1313 239.443 -126.414 13.2262 -84.4824 -96.2421 PRESSAVG: 1372000 58.7089 -6.61128 -58.8109 -6.61126 -23.6684 -21.0264 -58.8109 -21.0263 -21.0952 GPRESSAVG: 1372000 58.8311 -9.88915 -57.0215 -8.31888 -22.7663 -24.2403 -58.3724 -21.3968 -21.9543 TIMING: 1372000 CPU: 3976.89, 0.00288572/step Wall: 3976.89, 0.00288572/step, 2.90816 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1372000 743.1580 2052.9074 1967.0136 117.2933 -206471.2738 17791.6056 0.0000 0.0000 34427.7646 -149371.5313 300.6662 -183799.2960 -149273.7382 298.6665 -34.7994 -1.4571 558194.7543 4.6484 4.7035 PRESSURE: 1372200 -331.778 -46.1274 96.8073 -46.1281 -3.09054 94.3014 96.8076 94.3008 51.3431 GPRESSURE: 1372200 -284.957 4.87451 28.285 -93.9127 7.98599 117.01 116.397 175.961 85.4191 PRESSAVG: 1372200 15.9826 -15.5171 -41.8706 -15.5172 2.48155 0.617505 -41.8705 0.617387 -45.256 GPRESSAVG: 1372200 17.3257 -12.7999 -44.6633 -13.5829 2.00859 1.49624 -42.8483 -0.944891 -46.2661 TIMING: 1372200 CPU: 3977.46, 0.00289092/step Wall: 3977.46, 0.00289092/step, 2.91325 hours remaining, 209.578125 MB of memory in use. ENERGY: 1372200 756.6806 2042.2456 1946.9753 104.0817 -206473.3561 17856.6083 0.0000 0.0000 34294.2266 -149472.5379 299.5000 -183766.7645 -149377.0286 298.9844 -94.5085 -63.8508 556822.6196 -8.9306 -8.9773 LDB: ============= START OF LOAD BALANCING ============== 3980.85 LDB: ============== END OF LOAD BALANCING =============== 3980.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3980.85 LDB: ============= START OF LOAD BALANCING ============== 3981.14 LDB: Largest compute 4794 load 0.023351 is 19.8% of average load 0.117934 LDB: Average compute 0.001723 is 1.5% of average load 0.117934 LDB: TIME 3981.14 LOAD: AVG 0.117934 MAX 0.183791 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 3981.14 LOAD: AVG 0.117934 MAX 0.183791 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.395 MB LDB: TIME 3981.14 LOAD: AVG 0.117934 MAX 0.183791 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3981.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3981.15 PRESSURE: 1372400 -56.4915 44.4599 -8.51423 44.4603 23.4914 -106.89 -8.51444 -106.89 -150.624 GPRESSURE: 1372400 -62.5682 -95.2608 19.5862 81.392 86.3925 -109.268 -31.246 -39.8379 -106.857 PRESSAVG: 1372400 -37.8233 105.529 21.6865 105.529 15.4979 -26.7708 21.6866 -26.7709 7.21061 GPRESSAVG: 1372400 -39.754 104.955 22.024 103.589 15.2817 -26.2593 21.5559 -26.2194 9.52791 TIMING: 1372400 CPU: 3978.06, 0.00295089/step Wall: 3978.06, 0.00295089/step, 2.97352 hours remaining, 209.207031 MB of memory in use. ENERGY: 1372400 751.1645 2085.6984 1950.8433 108.8386 -206350.8625 17633.8326 0.0000 0.0000 34332.6532 -149487.8319 299.8356 -183820.4851 -149391.9994 299.2624 -61.2079 -27.6776 556661.3550 -5.0383 -4.9815 PRESSURE: 1372600 -60.2956 -203.831 195.975 -203.832 3.76405 63.6894 195.975 63.6888 105.227 GPRESSURE: 1372600 32.8057 -197.95 169.312 -153.424 10.8031 155.901 211.036 85.2303 109.163 PRESSAVG: 1372600 -8.34543 29.6292 19.1643 29.6292 16.8864 16.1455 19.1643 16.1455 34.9164 GPRESSAVG: 1372600 -7.3703 30.2797 19.8304 28.1414 17.8724 15.1227 18.4227 16.5143 32.9568 TIMING: 1372600 CPU: 3978.63, 0.00289872/step Wall: 3978.63, 0.00289872/step, 2.92078 hours remaining, 209.410156 MB of memory in use. ENERGY: 1372600 720.0682 2104.5179 1954.7788 109.7167 -206507.5876 17659.1701 0.0000 0.0000 34383.7525 -149575.5834 300.2819 -183959.3359 -149479.4862 299.4572 16.2319 50.9239 556543.8563 14.4858 14.4863 PRESSURE: 1372800 -112.363 -22.5571 67.8414 -22.5562 -16.0214 -22.1872 67.841 -22.1864 62.7249 GPRESSURE: 1372800 -10.7224 8.13423 98.1203 -47.0835 3.81152 -122.762 4.28972 -19.9588 38.9331 PRESSAVG: 1372800 18.0134 19.0255 53.313 19.0254 30.0705 28.1809 53.313 28.1809 -57.4455 GPRESSAVG: 1372800 18.5533 16.8687 50.3784 19.4967 28.818 26.8501 55.9057 28.8487 -57.442 TIMING: 1372800 CPU: 3979.21, 0.00289151/step Wall: 3979.21, 0.00289151/step, 2.91336 hours remaining, 209.515625 MB of memory in use. ENERGY: 1372800 744.5228 2074.9658 1993.8146 129.2797 -206297.0831 17692.5845 0.0000 0.0000 34155.9924 -149505.9234 298.2928 -183661.9158 -149409.3731 298.7984 -21.8866 10.6741 557200.5085 -3.1206 -3.3569 PRESSURE: 1373000 -223.082 18.4868 -23.5055 18.4873 191.386 23.0994 -23.5056 23.0991 -18.8824 GPRESSURE: 1373000 -144.573 -21.7434 30.445 51.6148 196.203 60.7256 -74.0844 20.262 10.3529 PRESSAVG: 1373000 -14.6899 17.5018 -29.7915 17.5017 0.742744 7.97777 -29.7916 7.97772 -32.5022 GPRESSAVG: 1373000 -15.8418 17.7706 -26.9266 19.3691 0.397061 10.2501 -30.5419 6.09066 -31.264 TIMING: 1373000 CPU: 3979.79, 0.00288811/step Wall: 3979.79, 0.00288811/step, 2.90977 hours remaining, 209.515625 MB of memory in use. ENERGY: 1373000 689.8379 2100.8385 1954.7188 116.1085 -205948.7109 17563.6980 0.0000 0.0000 34155.8210 -149367.6882 298.2913 -183523.5093 -149269.1466 297.9953 -16.8596 20.6611 558386.7433 -15.4831 -15.5696 PRESSURE: 1373200 158.184 79.9482 10.0499 79.9486 -20.8859 -42.1506 10.0485 -42.1509 18.91 GPRESSURE: 1373200 182.677 17.8318 72.4368 106.406 -9.91581 34.9094 -25.1494 -171.61 76.1506 PRESSAVG: 1373200 41.7866 -51.9165 12.8496 -51.9164 49.2111 -48.5164 12.8496 -48.5164 -54.8323 GPRESSAVG: 1373200 43.0376 -50.2558 12.9713 -53.4577 49.3331 -47.7181 10.696 -49.2537 -56.1936 TIMING: 1373200 CPU: 3980.37, 0.00289322/step Wall: 3980.37, 0.00289322/step, 2.91476 hours remaining, 209.515625 MB of memory in use. ENERGY: 1373200 775.2296 2077.5061 1937.4371 109.9334 -206659.1496 18069.8077 0.0000 0.0000 34245.7823 -149443.4535 299.0769 -183689.2358 -149351.8323 298.0161 52.0693 82.9707 557535.6636 12.0551 12.0590 PRESSURE: 1373400 -103.806 -148.093 -36.9866 -148.093 236.242 193.98 -36.9868 193.981 42.3038 GPRESSURE: 1373400 -93.0904 -112.391 12.2374 -127.422 278.412 163.487 15.2657 144.699 92.8142 PRESSAVG: 1373400 -105.623 -18.5292 -6.64163 -18.5292 54.3492 45.9076 -6.64161 45.9076 25.1376 GPRESSAVG: 1373400 -105.772 -19.6726 -7.12997 -18.6717 54.3056 44.8698 -5.1354 46.0267 25.3263 TIMING: 1373400 CPU: 3980.95, 0.00288117/step Wall: 3980.95, 0.00288117/step, 2.90245 hours remaining, 209.515625 MB of memory in use. ENERGY: 1373400 729.3204 2109.0881 1945.0380 106.2356 -206835.8871 18082.3308 0.0000 0.0000 34248.4495 -149615.4247 299.1002 -183863.8742 -149524.0036 298.4521 58.2467 92.7121 555561.2417 -8.7122 -8.7132 PRESSURE: 1373600 142.966 8.76006 -87.7106 8.7611 -271.402 178.631 -87.7112 178.631 -90.6976 GPRESSURE: 1373600 154.836 -7.4701 -60.0492 28.5231 -192.668 202.725 -197.823 153.636 -95.7279 PRESSAVG: 1373600 -10.1216 -51.103 -47.6424 -51.1031 21.8847 -42.5401 -47.6425 -42.5401 -9.6634 GPRESSAVG: 1373600 -11.3579 -49.1713 -46.9557 -52.0513 23.1178 -42.8564 -47.8399 -41.7603 -8.89793 TIMING: 1373600 CPU: 3981.52, 0.00288086/step Wall: 3981.52, 0.00288086/step, 2.90199 hours remaining, 209.515625 MB of memory in use. ENERGY: 1373600 757.3768 2104.2195 1939.2486 106.8972 -206348.9355 17764.4062 0.0000 0.0000 34175.2741 -149501.5130 298.4612 -183676.7871 -149400.2693 298.7621 -73.0447 -44.5202 557242.3585 0.6999 0.9540 PRESSURE: 1373800 120.194 -53.1415 44.2207 -53.1423 -134.876 113.095 44.2212 113.095 19.4426 GPRESSURE: 1373800 131.367 -21.7771 67.7581 -46.1254 -41.4632 125.715 55.7174 76.4573 11.1929 PRESSAVG: 1373800 -4.0741 -4.01428 17.668 -4.01431 -12.0989 -39.1266 17.668 -39.1268 -24.7815 GPRESSAVG: 1373800 -2.64511 -3.26813 15.2716 -1.71404 -13.1798 -40.5418 19.888 -38.5017 -25.5785 TIMING: 1373800 CPU: 3982.1, 0.00288277/step Wall: 3982.1, 0.00288277/step, 2.90375 hours remaining, 209.582031 MB of memory in use. ENERGY: 1373800 716.8888 2075.6761 1963.7410 118.5056 -206681.3068 18004.7160 0.0000 0.0000 34267.3068 -149534.4725 299.2649 -183801.7792 -149438.3669 298.3993 1.5868 33.6987 557718.8974 -13.6515 -13.8011 PRESSURE: 1374000 -140.933 -50.4392 101.895 -50.4406 -6.08372 46.1153 101.894 46.1158 -7.36917 GPRESSURE: 1374000 -115.836 -102.743 174.951 4.1969 -24.89 -8.45308 49.242 93.1401 77.1232 PRESSAVG: 1374000 44.5237 -3.70528 3.12811 -3.70532 -83.6427 42.3867 3.12816 42.3864 6.82632 GPRESSAVG: 1374000 43.2707 -5.95028 4.71102 -4.45039 -83.5231 43.8004 2.61797 40.4954 7.7089 TIMING: 1374000 CPU: 3982.68, 0.00289993/step Wall: 3982.68, 0.00289992/step, 2.92087 hours remaining, 209.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1374000 741.7433 2137.5802 1945.3219 121.9422 -206627.3522 18087.1982 0.0000 0.0000 33988.4314 -149605.1349 296.8294 -183593.5663 -149511.3357 298.0337 -51.4621 -21.2011 558143.3804 -10.7642 -10.8478 PRESSURE: 1374200 -54.9744 137.321 -51.7991 137.321 44.1652 -38.5499 -51.8 -38.5496 -153.145 GPRESSURE: 1374200 -26.4443 95.9659 -88.2088 121.073 43.1317 -27.4795 -56.7708 65.2293 -92.8742 PRESSAVG: 1374200 -48.9138 -24.7609 15.2092 -24.7608 4.43827 -46.7129 15.2092 -46.7129 14.9105 GPRESSAVG: 1374200 -47.8893 -24.9305 13.5678 -24.9399 4.18516 -45.4717 16.1813 -46.247 14.4189 TIMING: 1374200 CPU: 3983.26, 0.00291163/step Wall: 3983.26, 0.00291163/step, 2.93249 hours remaining, 209.582031 MB of memory in use. ENERGY: 1374200 746.6769 2135.8796 1936.4140 118.9816 -206149.2927 17730.9104 0.0000 0.0000 34055.8930 -149424.5372 297.4186 -183480.4302 -149321.2729 298.7796 -54.6514 -25.3956 557492.3406 -9.8550 -9.7617 PRESSURE: 1374400 -37.4218 85.684 90.6313 85.6836 -110.483 -152.858 90.6311 -152.858 -265.024 GPRESSURE: 1374400 12.0705 97.7268 53.2478 -13.2535 -125.951 -211.106 152.765 -85.8538 -202.537 PRESSAVG: 1374400 -68.3213 -82.6892 7.32638 -82.6893 40.2186 26.4832 7.32639 26.483 -33.7844 GPRESSAVG: 1374400 -69.7952 -82.9323 10.8241 -81.6316 41.1734 25.2496 6.06516 27.7608 -33.2853 TIMING: 1374400 CPU: 3983.84, 0.00288617/step Wall: 3983.84, 0.00288617/step, 2.9067 hours remaining, 209.582031 MB of memory in use. ENERGY: 1374400 761.8196 2122.2620 1941.3185 118.4403 -206081.0570 17636.9914 0.0000 0.0000 34009.0972 -149491.1280 297.0099 -183500.2252 -149395.6772 298.0863 -137.6430 -105.4724 558536.8430 -20.6290 -20.6357 PRESSURE: 1374600 281.329 -127.779 22.2163 -127.779 41.8448 22.9719 22.2177 22.9723 -46.5309 GPRESSURE: 1374600 249.384 -182.431 65.3772 -127.469 89.6634 4.79843 43.7404 47.2344 28.5856 PRESSAVG: 1374600 25.629 -32.1182 -6.86055 -32.1182 -16.5649 -38.2962 -6.86047 -38.2961 -39.2893 GPRESSAVG: 1374600 25.3947 -30.5845 -9.19343 -32.0702 -16.1146 -37.304 -8.30314 -39.3437 -39.3717 TIMING: 1374600 CPU: 3984.41, 0.00288405/step Wall: 3984.41, 0.00288405/step, 2.9044 hours remaining, 209.582031 MB of memory in use. ENERGY: 1374600 763.5739 2096.9608 1952.7603 121.6793 -206498.1813 18016.3671 0.0000 0.0000 33923.1245 -149623.7155 296.2591 -183546.8399 -149526.8520 297.5716 92.2144 122.5442 556782.8485 -10.0750 -10.0305 PRESSURE: 1374800 174.64 216.902 -7.56013 216.901 106.321 41.3809 -7.5602 41.3797 -152.762 GPRESSURE: 1374800 215.662 268.184 -15.2861 176.66 146.432 60.5316 -22.1425 1.27377 -145.109 PRESSAVG: 1374800 58.6779 -29.0826 -36.3153 -29.0826 -37.5075 6.86249 -36.3154 6.8625 6.48882 GPRESSAVG: 1374800 59.785 -30.9985 -37.8857 -29.7801 -38.5433 5.987 -36.0074 6.8008 6.85394 TIMING: 1374800 CPU: 3985, 0.00290777/step Wall: 3985, 0.00290777/step, 2.92812 hours remaining, 209.582031 MB of memory in use. ENERGY: 1374800 726.5590 2086.9976 1916.1177 108.5682 -206557.7774 17910.8644 0.0000 0.0000 34126.4553 -149682.2151 298.0348 -183808.6704 -149578.9324 297.6688 42.7331 72.3285 557204.6691 9.2198 9.3652 PRESSURE: 1375000 -232.615 -94.3271 236.466 -94.3281 -233.939 -83.0923 236.466 -83.0939 114.001 GPRESSURE: 1375000 -194.048 -105.421 232.336 -80.9008 -189.206 -94.9826 223.492 -142.653 136.055 PRESSAVG: 1375000 0.565461 -38.5421 64.5873 -38.5421 18.9667 -1.85215 64.5871 -1.8522 -33.6549 GPRESSAVG: 1375000 1.05071 -37.0741 65.4183 -38.9134 18.4175 -4.25409 66.837 -0.143805 -33.7482 TIMING: 1375000 CPU: 3985.58, 0.00292189/step Wall: 3985.58, 0.00292189/step, 2.94218 hours remaining, 209.582031 MB of memory in use. ENERGY: 1375000 728.6915 2099.3550 1923.3508 115.9140 -206171.2997 17654.7546 0.0000 0.0000 33959.1437 -149690.0900 296.5736 -183649.2337 -149594.5108 298.0061 -117.5176 -82.3997 558717.2753 -4.7076 -4.7600 PRESSURE: 1375200 -57.04 72.4044 105.762 72.4053 -234.845 -42.8178 105.764 -42.8184 55.2691 GPRESSURE: 1375200 -60.9412 -22.3125 -64.5897 160.415 -218.715 -41.4252 165.796 -1.06821 128.095 PRESSAVG: 1375200 -12.8751 -16.6732 71.6566 -16.6732 28.783 -35.2029 71.6566 -35.203 -35.9682 GPRESSAVG: 1375200 -13.4389 -16.3416 70.8276 -16.7872 30.463 -32.2925 71.2432 -36.048 -36.7798 TIMING: 1375200 CPU: 3986.16, 0.00289179/step Wall: 3986.16, 0.00289179/step, 2.91171 hours remaining, 209.582031 MB of memory in use. ENERGY: 1375200 766.9097 2173.3202 1981.6062 119.9029 -206272.9000 17677.8511 0.0000 0.0000 34135.5476 -149417.7624 298.1142 -183553.3099 -149324.6337 297.2582 -78.8720 -50.5203 557701.3450 -6.6868 -6.5852 PRESSURE: 1375400 -260.551 -71.3905 -169.5 -71.389 156.578 -89.8894 -169.5 -89.8891 105.048 GPRESSURE: 1375400 -159.309 -116.618 -110.456 -74.8796 147.128 -79.9164 -127.165 -92.0822 97.0733 PRESSAVG: 1375400 -35.4208 -55.9799 -26.5881 -55.9799 53.8293 6.17227 -26.5881 6.17215 -11.4994 GPRESSAVG: 1375400 -34.4041 -55.4544 -25.502 -55.3963 53.0204 3.70752 -25.3675 7.35659 -11.7695 TIMING: 1375400 CPU: 3986.74, 0.00290045/step Wall: 3986.74, 0.00290045/step, 2.92027 hours remaining, 209.582031 MB of memory in use. ENERGY: 1375400 709.5707 2083.6597 1959.2694 124.3286 -206397.7773 17904.1024 0.0000 0.0000 34246.1676 -149370.6790 299.0803 -183616.8466 -149274.3586 298.8597 0.3586 28.2974 558958.6461 2.3030 2.2822 PRESSURE: 1375600 -146.378 -98.0324 7.57414 -98.0308 -9.2424 -66.6362 7.57415 -66.6372 -34.634 GPRESSURE: 1375600 -122.653 -106.729 5.02078 -55.9119 -12.4253 -138.78 -1.00871 -97.2409 34.872 PRESSAVG: 1375600 10.4708 -89.3613 -60.6393 -89.3613 -32.4209 -54.3135 -60.6393 -54.3136 21.8855 GPRESSAVG: 1375600 10.3665 -90.0473 -61.1246 -89.4056 -32.1637 -51.7977 -62.1064 -57.1363 21.9112 TIMING: 1375600 CPU: 3987.32, 0.00289616/step Wall: 3987.32, 0.00289616/step, 2.91579 hours remaining, 209.582031 MB of memory in use. ENERGY: 1375600 767.6679 2132.7218 1946.6085 117.4741 -206092.6022 17657.0803 0.0000 0.0000 34100.5294 -149370.5201 297.8084 -183471.0495 -149273.1213 298.9353 -63.4183 -33.4022 558190.0134 -0.0215 0.0380 PRESSURE: 1375800 -29.8224 64.9294 0.358102 64.9306 165.383 -193.937 0.35741 -193.936 -183.339 GPRESSURE: 1375800 -17.1528 131.979 69.317 32.4801 180.376 -149.31 -56.6087 -197.254 -96.7543 PRESSAVG: 1375800 13.3109 -27.513 20.2888 -27.513 17.0423 -52.2014 20.2887 -52.2015 -0.218506 GPRESSAVG: 1375800 12.8054 -28.7182 21.3259 -26.63 17.7544 -53.3078 19.5384 -50.189 -0.160786 TIMING: 1375800 CPU: 3987.9, 0.00290649/step Wall: 3987.9, 0.00290649/step, 2.92602 hours remaining, 209.582031 MB of memory in use. ENERGY: 1375800 737.4598 2033.3638 1955.4206 106.2206 -205910.7379 17559.3773 0.0000 0.0000 34235.4643 -149283.4317 298.9868 -183518.8959 -149186.0731 298.0602 -15.9261 22.1562 556414.4924 10.0449 10.1330 PRESSURE: 1376000 -81.5481 103.842 -84.4458 103.842 -343.596 -234.907 -84.4463 -234.906 194.85 GPRESSURE: 1376000 -21.3865 125.989 -10.7202 115.319 -314.858 -206.269 -41.8607 -212.344 196.062 PRESSAVG: 1376000 9.94929 -52.3173 -3.89755 -52.3173 21.3259 -48.5418 -3.89754 -48.5417 -11.759 GPRESSAVG: 1376000 9.2152 -51.0841 -5.59928 -52.8691 22.0636 -48.3863 -2.87749 -50.1701 -11.2647 TIMING: 1376000 CPU: 3988.48, 0.00289416/step Wall: 3988.48, 0.00289416/step, 2.91346 hours remaining, 209.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1376000 746.4123 2124.1155 1927.1508 116.3026 -206161.5549 17753.1594 0.0000 0.0000 34010.0108 -149484.4036 297.0179 -183494.4143 -149382.8086 298.7873 -76.7647 -46.7275 558549.5758 6.5054 6.6714 PRESSURE: 1376200 -61.6463 -29.8968 75.9621 -29.8957 138.488 -8.34757 75.9626 -8.34907 179.427 GPRESSURE: 1376200 20.7583 -57.0263 118.722 -15.6326 145.481 27.1658 99.7081 -52.0688 187.842 PRESSAVG: 1376200 -99.0975 -29.7939 43.1493 -29.7938 -61.1865 -44.8915 43.1492 -44.8915 103.093 GPRESSAVG: 1376200 -97.0406 -30.2875 43.7379 -30.027 -62.1947 -43.9793 41.9437 -43.0242 101.947 TIMING: 1376200 CPU: 3989.06, 0.00288652/step Wall: 3989.06, 0.00288652/step, 2.9056 hours remaining, 209.582031 MB of memory in use. ENERGY: 1376200 775.9062 2038.7258 1960.7230 112.0421 -206541.4749 18156.7613 0.0000 0.0000 34081.1115 -149416.2049 297.6388 -183497.3164 -149328.7723 298.0732 85.4229 118.0268 558733.9811 -19.0637 -19.0961 LDB: ============= START OF LOAD BALANCING ============== 3992.44 LDB: ============== END OF LOAD BALANCING =============== 3992.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3992.44 LDB: ============= START OF LOAD BALANCING ============== 3992.73 LDB: Largest compute 4822 load 0.022870 is 19.4% of average load 0.117974 LDB: Average compute 0.001731 is 1.5% of average load 0.117974 LDB: TIME 3992.74 LOAD: AVG 0.117974 MAX 0.180153 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.391 MB LDB: TIME 3992.74 LOAD: AVG 0.117974 MAX 0.180153 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.391 MB LDB: TIME 3992.74 LOAD: AVG 0.117974 MAX 0.180153 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3992.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3992.74 PRESSURE: 1376400 188.012 10.744 -56.8533 10.744 -46.8439 7.41271 -56.8519 7.41187 103.619 GPRESSURE: 1376400 147.251 9.66453 -10.5679 -1.27317 43.2137 -4.24486 -54.2085 19.2889 147.194 PRESSAVG: 1376400 -23.105 -15.6808 37.4572 -15.6808 -2.02694 18.8119 37.4572 18.8119 30.3293 GPRESSAVG: 1376400 -23.6409 -15.5846 37.1938 -16.2006 -1.25369 17.5938 39.9115 16.7913 30.7353 TIMING: 1376400 CPU: 3989.65, 0.00295924/step Wall: 3989.65, 0.00295924/step, 2.97864 hours remaining, 208.359375 MB of memory in use. ENERGY: 1376400 758.4341 2107.8892 1958.5627 111.7360 -206509.2215 18074.1792 0.0000 0.0000 34258.0687 -149240.3515 299.1842 -183498.4202 -149144.5923 298.6559 81.5955 112.5530 558049.7097 1.7324 1.9469 PRESSURE: 1376600 -52.0337 57.3443 -221.388 57.3443 60.3007 152.988 -221.388 152.988 -189.522 GPRESSURE: 1376600 1.15746 67.9987 -167.341 32.152 95.088 163.666 -227.509 172.256 -176.34 PRESSAVG: 1376600 -25.3027 -4.482 9.32101 -4.48195 15.8718 27.3092 9.3211 27.3092 -4.99378 GPRESSAVG: 1376600 -25.9075 -2.02412 9.71948 -5.74744 15.0473 28.3896 6.00717 27.5546 -3.35816 TIMING: 1376600 CPU: 3990.23, 0.00291593/step Wall: 3990.23, 0.00291593/step, 2.93488 hours remaining, 208.359375 MB of memory in use. ENERGY: 1376600 733.6962 2107.3342 1957.5224 114.4625 -206201.6957 17789.1421 0.0000 0.0000 34008.6731 -149490.8652 297.0062 -183499.5383 -149390.0328 298.5295 -60.4184 -26.6980 557599.8079 -4.8082 -4.7394 PRESSURE: 1376800 -73.7528 118.289 118.906 118.289 94.1149 87.9966 118.906 87.9956 -148.445 GPRESSURE: 1376800 -59.3191 108.026 122.825 100.864 126.414 121.88 157.299 52.7429 -116.086 PRESSAVG: 1376800 -28.976 42.8083 -0.15977 42.8082 43.6481 25.6098 -0.159802 25.6098 12.7554 GPRESSAVG: 1376800 -28.4269 39.3517 0.896418 44.0924 43.9862 24.1902 -0.0976623 26.1629 11.2126 TIMING: 1376800 CPU: 3990.81, 0.00288751/step Wall: 3990.81, 0.00288751/step, 2.90612 hours remaining, 208.359375 MB of memory in use. ENERGY: 1376800 777.4348 2075.4173 1926.5697 113.5669 -206061.7070 17748.3371 0.0000 0.0000 34289.2000 -149131.1812 299.4561 -183420.3812 -149032.7899 298.4550 -42.6942 -16.3302 558816.5800 9.1425 8.9240 PRESSURE: 1377000 -132.779 17.0422 -121.588 17.0433 27.3929 -282.404 -121.588 -282.403 325.69 GPRESSURE: 1377000 -115.485 -57.5965 -102.119 26.8042 88.3936 -288.878 -65.1578 -206.665 331.576 PRESSAVG: 1377000 -12.327 27.9337 -10.0115 27.9336 60.9573 36.0778 -10.0115 36.0778 6.11111 GPRESSAVG: 1377000 -13.3711 28.956 -12.368 28.8577 61.0129 33.827 -9.0102 39.6231 6.53694 TIMING: 1377000 CPU: 3991.39, 0.00289161/step Wall: 3991.39, 0.00289161/step, 2.91009 hours remaining, 208.359375 MB of memory in use. ENERGY: 1377000 766.6730 2050.6446 1955.8496 112.7757 -205967.1676 17793.9318 0.0000 0.0000 34150.2246 -149137.0682 298.2424 -183287.2929 -149035.6600 299.6538 73.4347 101.4949 556551.6659 18.2471 18.0596 PRESSURE: 1377200 48.004 -115.334 139.632 -115.335 -76.6381 20.3267 139.632 20.3267 62.3508 GPRESSURE: 1377200 87.782 -183.562 168.459 -49.0168 -69.1602 -3.6095 124.641 -26.7714 108.576 PRESSAVG: 1377200 17.3305 -18.7703 8.78939 -18.7704 -53.8226 -66.6748 8.78925 -66.6748 21.9143 GPRESSAVG: 1377200 17.9428 -19.0924 9.12976 -20.1521 -55.0729 -65.0419 7.48509 -69.4106 22.6289 TIMING: 1377200 CPU: 3991.96, 0.00288975/step Wall: 3991.96, 0.00288975/step, 2.90805 hours remaining, 208.359375 MB of memory in use. ENERGY: 1377200 731.2041 2148.9065 1952.8096 117.0980 -205883.9726 17708.7364 0.0000 0.0000 34366.3904 -148858.8276 300.1302 -183225.2180 -148774.0978 300.2082 11.2389 42.3992 557441.1978 -4.8592 -4.8337 PRESSURE: 1377400 -62.9756 -43.5325 28.0814 -43.5325 -6.11426 18.2796 28.0815 18.2803 -276.233 GPRESSURE: 1377400 -11.6658 19.1052 -24.4828 -78.2025 1.42144 50.919 94.3088 -38.2616 -242.977 PRESSAVG: 1377400 23.6266 -45.6805 25.998 -45.6805 5.88883 -35.9215 25.9979 -35.9214 -67.1334 GPRESSAVG: 1377400 23.2346 -45.7943 27.3772 -44.6323 6.39889 -36.4257 24.7737 -37.0172 -67.4304 TIMING: 1377400 CPU: 3992.54, 0.00286882/step Wall: 3992.54, 0.00286882/step, 2.88683 hours remaining, 208.359375 MB of memory in use. ENERGY: 1377400 749.8448 2115.3903 1969.8213 103.7195 -206128.0117 17707.3355 0.0000 0.0000 34420.3975 -149061.5029 300.6019 -183481.9003 -148955.9031 299.9872 -115.1076 -84.4072 557351.4481 -12.5393 -12.5990 PRESSURE: 1377600 65.4719 -165.135 -179.953 -165.136 62.2747 19.2536 -179.953 19.2535 190.777 GPRESSURE: 1377600 180.966 -181.483 -171.516 -50.325 -2.63917 73.9011 -163.205 16.2131 231.848 PRESSAVG: 1377600 -26.692 -24.9608 -6.86346 -24.9609 87.4898 39.9767 -6.86346 39.9768 11.7875 GPRESSAVG: 1377600 -26.2943 -24.9513 -6.98929 -26.6403 86.7461 40.2301 -6.29361 40.9153 11.9923 TIMING: 1377600 CPU: 3993.11, 0.00286056/step Wall: 3993.11, 0.00286056/step, 2.87836 hours remaining, 208.359375 MB of memory in use. ENERGY: 1377600 759.8724 2132.5103 1932.0948 95.5232 -206396.4789 18026.8014 0.0000 0.0000 34458.6707 -148991.0061 300.9361 -183449.6768 -148897.9869 299.1369 106.1746 136.7249 557129.2718 24.1951 24.1480 PRESSURE: 1377800 -193.828 32.5185 -45.9717 32.5186 -222.762 -152.856 -45.9713 -152.857 -98.3445 GPRESSURE: 1377800 -201.08 91.0674 25.5108 52.7868 -133.219 -166.529 -35.9589 -194.177 -86.4144 PRESSAVG: 1377800 14.9336 56.4243 -42.349 56.4242 -14.3129 7.62616 -42.349 7.62619 16.3723 GPRESSAVG: 1377800 14.784 55.2306 -41.474 58.1627 -13.3715 11.0362 -41.8114 5.37085 15.1611 TIMING: 1377800 CPU: 3993.69, 0.0028817/step Wall: 3993.69, 0.0028817/step, 2.89947 hours remaining, 208.359375 MB of memory in use. ENERGY: 1377800 804.4251 2118.1749 1931.4983 118.2335 -205987.3004 17824.4643 0.0000 0.0000 34167.0078 -149023.4966 298.3890 -183190.5043 -148920.9081 300.4350 -171.6447 -140.2377 559502.6299 5.6644 5.5245 PRESSURE: 1378000 69.219 -115.476 -18.5012 -115.475 131.338 -2.81106 -18.501 -2.81062 -21.0417 GPRESSURE: 1378000 86.716 -137.691 69.8488 -92.0981 136.924 -38.737 -95.1039 69.4552 54.4854 PRESSAVG: 1378000 -12.0279 59.738 -6.20411 59.738 21.5288 -6.30993 -6.20415 -6.30973 -30.9747 GPRESSAVG: 1378000 -12.5038 59.4365 -8.4265 62.116 22.0917 -8.17002 -5.17623 -4.44279 -30.8206 TIMING: 1378000 CPU: 3994.26, 0.00288708/step Wall: 3994.26, 0.00288708/step, 2.90473 hours remaining, 208.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1378000 753.4478 2137.7249 1964.6847 122.6244 -206344.9988 17918.9814 0.0000 0.0000 34411.2922 -149036.2434 300.5224 -183447.5356 -148939.3070 299.4669 59.8384 92.7085 558214.8904 -7.1579 -7.0776 PRESSURE: 1378200 -176.438 -131.876 110.762 -131.876 -66.2507 132.066 110.764 132.065 -421.067 GPRESSURE: 1378200 -204.431 -55.8376 25.5449 -150.993 11.7203 176.956 207.075 153.706 -361.799 PRESSAVG: 1378200 11.0622 -3.73966 -17.7538 -3.73969 -8.05952 -20.5179 -17.7539 -20.518 -7.03733 GPRESSAVG: 1378200 10.6482 -2.77433 -16.7686 -5.60651 -8.4244 -21.0668 -17.3953 -18.5104 -6.29773 TIMING: 1378200 CPU: 3994.84, 0.00287805/step Wall: 3994.84, 0.00287805/step, 2.89548 hours remaining, 208.359375 MB of memory in use. ENERGY: 1378200 735.4075 2116.7234 1940.3429 110.9299 -206004.9702 17599.4266 0.0000 0.0000 34509.8409 -148992.2990 301.3830 -183502.1400 -148888.6750 299.2344 -221.2519 -184.8367 560912.7569 -1.3449 -1.3580 PRESSURE: 1378400 -62.8328 -72.56 -11.4847 -72.559 166.748 -146.417 -11.4846 -146.418 250.224 GPRESSURE: 1378400 -52.4612 -61.8346 -41.2162 -115.522 175.705 -96.8118 24.4005 -112.004 338.675 PRESSAVG: 1378400 -57.8815 -56.972 -13.2304 -56.972 -5.35323 19.2425 -13.2302 19.2426 31.6547 GPRESSAVG: 1378400 -58.6952 -56.4112 -14.1622 -56.5507 -4.39405 18.213 -12.9866 17.9361 31.6005 TIMING: 1378400 CPU: 3995.42, 0.0029007/step Wall: 3995.42, 0.0029007/step, 2.91811 hours remaining, 208.359375 MB of memory in use. ENERGY: 1378400 725.2513 2174.8077 1933.1850 121.3925 -206515.2164 18013.0148 0.0000 0.0000 34378.4010 -149169.1641 300.2351 -183547.5651 -149065.4117 299.3211 118.0462 153.9729 558627.0042 -10.5267 -10.4962 PRESSURE: 1378600 112.578 -19.1991 -30.6532 -19.1993 207.354 -172.15 -30.6533 -172.151 391.314 GPRESSURE: 1378600 140.644 44.0336 26.3849 -33.9557 239.111 -97.0235 -19.1094 -214.377 427.641 PRESSAVG: 1378600 -61.1131 -48.0813 23.4535 -48.0813 -14.4811 -33.5817 23.4535 -33.5817 54.8457 GPRESSAVG: 1378600 -60.0378 -48.1682 23.9985 -49.4592 -16.0092 -28.7395 21.2285 -35.7788 55.0336 TIMING: 1378600 CPU: 3996, 0.00288651/step Wall: 3996, 0.00288651/step, 2.90367 hours remaining, 208.359375 MB of memory in use. ENERGY: 1378600 764.6592 2131.5663 1940.7000 111.0497 -206555.6349 18128.8075 0.0000 0.0000 34362.2653 -149116.5869 300.0942 -183478.8522 -149017.1355 299.4972 237.0820 269.1318 555850.5915 -6.9161 -7.0044 PRESSURE: 1378800 258.23 -176.812 34.2003 -176.811 442.159 70.7829 34.2025 70.7815 315.852 GPRESSURE: 1378800 278.752 -267.155 133.485 -101.652 438.792 92.4677 85.6816 113.003 395.132 PRESSAVG: 1378800 -9.78809 -34.7966 -11.0891 -34.7965 64.2582 9.90417 -11.0892 9.90423 26.8703 GPRESSAVG: 1378800 -9.23237 -34.51 -10.679 -34.2052 65.0402 6.69295 -9.76368 11.4869 26.1436 TIMING: 1378800 CPU: 3996.57, 0.0028734/step Wall: 3996.57, 0.0028734/step, 2.89032 hours remaining, 208.562500 MB of memory in use. ENERGY: 1378800 747.0772 2129.0182 1906.9716 107.7614 -206576.5802 18239.1737 0.0000 0.0000 34307.3613 -149139.2167 299.6147 -183446.5780 -149045.0286 299.2846 338.7468 370.8919 556387.2781 27.1135 27.3172 PRESSURE: 1379000 42.8593 65.4609 57.1029 65.461 -269.7 74.1518 57.1032 74.1522 -129.958 GPRESSURE: 1379000 60.0278 35.1282 2.98722 13.5459 -198.585 50.4253 98.7012 130.566 -109.64 PRESSAVG: 1379000 -16.0807 -19.3893 25.4777 -19.3893 13.9329 -28.0444 25.4778 -28.0444 15.2831 GPRESSAVG: 1379000 -16.1579 -21.5355 23.7756 -18.789 12.6289 -28.2345 26.2708 -29.2135 16.5273 TIMING: 1379000 CPU: 3997.14, 0.00286136/step Wall: 3997.14, 0.00286136/step, 2.87805 hours remaining, 208.562500 MB of memory in use. ENERGY: 1379000 747.8636 2107.2932 1900.8615 123.4188 -205994.0402 17685.8954 0.0000 0.0000 34269.7690 -149158.9387 299.2864 -183428.7077 -149064.6179 299.6690 -118.9328 -82.7326 557778.6718 4.3785 4.3328 PRESSURE: 1379200 -239.134 -10.6973 -184.685 -10.6975 -82.3377 21.1614 -184.686 21.1609 23.3421 GPRESSURE: 1379200 -251.452 -112.588 -192.537 3.97992 -38.8499 37.2998 -156.823 50.6972 91.0375 PRESSAVG: 1379200 20.4144 32.6222 -30.6847 32.6224 -53.1377 -32.6847 -30.6846 -32.6846 51.078 GPRESSAVG: 1379200 20.8639 34.0594 -30.6078 31.3771 -52.5411 -31.9307 -30.8295 -32.0274 50.9086 TIMING: 1379200 CPU: 3997.72, 0.0028541/step Wall: 3997.72, 0.0028541/step, 2.87059 hours remaining, 208.562500 MB of memory in use. ENERGY: 1379200 792.3613 2154.8836 1906.9093 115.1384 -206203.8919 17751.3652 0.0000 0.0000 34362.8157 -149120.4183 300.0990 -183483.2340 -149025.6407 299.9494 -99.3764 -66.4216 559276.8539 6.1182 6.4105 PRESSURE: 1379400 -92.6134 137.708 -168.233 137.709 -0.605977 -39.981 -168.233 -39.9826 66.7776 GPRESSURE: 1379400 -25.8142 104.077 -90.8733 210.982 -16.5358 -64.9447 -208.341 37.2491 114.551 PRESSAVG: 1379400 -13.5775 -25.0954 -29.4764 -25.0954 -51.5054 7.74011 -29.4766 7.73995 58.7574 GPRESSAVG: 1379400 -13.7135 -22.8341 -27.6501 -25.1081 -51.5771 8.4093 -31.2044 7.408 59.1044 TIMING: 1379400 CPU: 3998.28, 0.00284839/step Wall: 3998.28, 0.00284839/step, 2.86469 hours remaining, 208.562500 MB of memory in use. ENERGY: 1379400 764.0605 2088.8255 1911.9285 118.4248 -206128.4477 17745.4200 0.0000 0.0000 34417.7997 -149081.9887 300.5792 -183499.7884 -148985.2012 300.0497 -8.8139 24.0671 558350.6133 -2.1085 -2.0620 PRESSURE: 1379600 -121.792 -69.124 222.577 -69.1245 -226.477 53.8467 222.577 53.8486 -362.92 GPRESSURE: 1379600 -137.361 -12.6985 198.364 -65.5227 -139.969 30.5774 136.671 58.5865 -335.592 PRESSAVG: 1379600 -15.7242 9.17841 17.4311 9.17847 -25.891 21.9714 17.4311 21.9713 9.79686 GPRESSAVG: 1379600 -16.8206 8.12159 17.5819 7.18171 -25.0542 21.0703 17.3967 23.5935 9.72285 TIMING: 1379600 CPU: 3998.86, 0.00287031/step Wall: 3998.86, 0.00287031/step, 2.88657 hours remaining, 208.562500 MB of memory in use. ENERGY: 1379600 778.8287 2137.0788 1921.9737 112.4108 -205958.5034 17517.2059 0.0000 0.0000 34179.9933 -149311.0121 298.5024 -183491.0054 -149214.3302 298.9384 -237.0631 -204.3075 557878.8189 -10.6061 -10.7173 PRESSURE: 1379800 150.539 13.6546 -39.3615 13.6537 -131.817 100.625 -39.3604 100.624 -86.3067 GPRESSURE: 1379800 201.629 78.1767 -39.768 53.3375 -71.796 65.331 -29.7663 109.378 -107.972 PRESSAVG: 1379800 74.0675 49.7204 14.519 49.7205 -39.0412 15.651 14.5192 15.6509 -36.1508 GPRESSAVG: 1379800 75.4093 47.8774 12.8182 52.6651 -39.485 15.3228 15.9162 16.2995 -37.1696 TIMING: 1379800 CPU: 3999.43, 0.00287017/step Wall: 3999.43, 0.00287017/step, 2.88628 hours remaining, 208.562500 MB of memory in use. ENERGY: 1379800 776.0641 2106.0700 1929.3956 110.7119 -206293.0479 17860.4696 0.0000 0.0000 34152.9489 -149357.3878 298.2662 -183510.3368 -149259.0376 298.5262 -22.5281 7.2869 556647.2565 -0.3748 -0.4151 PRESSURE: 1380000 185.52 -17.5979 31.5809 -17.5983 -172.971 64.1667 31.5811 64.1668 148.192 GPRESSURE: 1380000 177.803 39.9663 61.4741 18.3388 -99.3232 105.468 134.297 58.8953 178.86 PRESSAVG: 1380000 49.7781 -14.5073 -0.400957 -14.5073 -46.7415 11.2021 -0.400944 11.2022 5.06535 GPRESSAVG: 1380000 48.5897 -13.0965 1.61339 -15.7584 -45.9089 10.7435 0.661395 11.9966 5.70409 TIMING: 1380000 CPU: 4000.01, 0.00290716/step Wall: 4000.01, 0.00290716/step, 2.92331 hours remaining, 208.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1380000 725.7260 2098.0435 1943.0601 117.0547 -206545.0736 17868.9341 0.0000 0.0000 34437.4676 -149354.7876 300.7510 -183792.2552 -149257.5856 299.0154 53.5803 85.7799 557662.0405 2.7006 2.7949 PRESSURE: 1380200 -4.05071 173.367 -45.7295 173.366 -389.411 44.5227 -45.732 44.524 -133.413 GPRESSURE: 1380200 3.75553 213.527 -81.6463 101.133 -310.452 -8.19985 -68.4143 -68.9657 -127.024 PRESSAVG: 1380200 18.9066 56.2134 12.7534 56.2133 -6.22046 46.3032 12.7534 46.3031 -29.3581 GPRESSAVG: 1380200 19.2355 55.2594 12.0227 56.4484 -5.13489 47.1183 12.0657 42.7433 -30.3037 TIMING: 1380200 CPU: 4000.59, 0.00289189/step Wall: 4000.59, 0.00289189/step, 2.9078 hours remaining, 208.562500 MB of memory in use. ENERGY: 1380200 799.4941 2098.1829 1903.2097 111.7671 -206263.5626 17813.9830 0.0000 0.0000 34214.0756 -149322.8502 298.8000 -183536.9258 -149225.9568 299.5179 -175.6248 -144.5735 558962.3683 -5.5573 -5.4010 LDB: ============= START OF LOAD BALANCING ============== 4003.98 LDB: ============== END OF LOAD BALANCING =============== 4003.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4003.98 LDB: ============= START OF LOAD BALANCING ============== 4004.27 LDB: Largest compute 4822 load 0.023724 is 20.1% of average load 0.117989 LDB: Average compute 0.001726 is 1.5% of average load 0.117989 LDB: TIME 4004.28 LOAD: AVG 0.117989 MAX 0.183224 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 4004.28 LOAD: AVG 0.117989 MAX 0.183224 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: TIME 4004.28 LOAD: AVG 0.117989 MAX 0.183224 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: ============== END OF LOAD BALANCING =============== 4004.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4004.28 PRESSURE: 1380400 -85.5966 -122.763 25.886 -122.764 -131.656 -147.707 25.8854 -147.705 -152.816 GPRESSURE: 1380400 -50.1852 -209.936 33.2673 -117.983 -115.545 -131.952 87.6365 -204.352 -105.516 PRESSAVG: 1380400 2.5045 -11.9532 2.86934 -11.9532 36.7372 1.77062 2.86934 1.77068 -31.5883 GPRESSAVG: 1380400 3.3453 -12.7496 3.12677 -10.4554 35.0345 2.66296 2.626 2.69325 -30.9333 TIMING: 1380400 CPU: 4001.19, 0.00296515/step Wall: 4001.19, 0.00296515/step, 2.9813 hours remaining, 209.640625 MB of memory in use. ENERGY: 1380400 735.6339 2145.1592 1932.8310 106.7229 -206015.4999 17638.2735 0.0000 0.0000 34032.0867 -149424.7927 297.2107 -183456.8795 -149321.9387 298.9568 -123.3562 -90.4154 558338.0767 2.5511 2.4822 PRESSURE: 1380600 -9.09814 174.273 49.3426 174.274 -199.647 233.138 49.3426 233.138 -63.3071 GPRESSURE: 1380600 58.6654 125.016 -107.332 142.233 -200.459 123.721 96.171 295.222 -28.2771 PRESSAVG: 1380600 11.3914 46.2769 -3.48698 46.277 -14.8073 -30.2271 -3.48701 -30.227 5.51539 GPRESSAVG: 1380600 11.2622 46.1106 -3.96176 45.5815 -14.079 -31.5122 -4.58331 -30.0854 4.66857 TIMING: 1380600 CPU: 4001.76, 0.00289197/step Wall: 4001.76, 0.00289197/step, 2.90756 hours remaining, 209.710938 MB of memory in use. ENERGY: 1380600 749.9746 2140.9716 1932.2334 111.7941 -206282.3554 17793.6050 0.0000 0.0000 34268.5203 -149285.2564 299.2755 -183553.7767 -149191.9681 298.5866 -90.6841 -56.6902 558001.5965 0.6998 0.6173 PRESSURE: 1380800 69.6224 32.4979 -94.2181 32.4975 65.708 -54.3423 -94.2178 -54.3441 -63.79 GPRESSURE: 1380800 144.368 18.9781 -92.7957 83.8454 53.6869 -67.9823 -20.1765 43.9644 -43.1317 PRESSAVG: 1380800 22.1287 13.0269 -12.0164 13.0269 -16.4783 26.3062 -12.0164 26.3063 15.744 GPRESSAVG: 1380800 22.0224 13.8219 -12.9189 11.0729 -16.4775 26.6301 -11.4848 27.9742 16.0471 TIMING: 1380800 CPU: 4002.34, 0.00287705/step Wall: 4002.34, 0.00287705/step, 2.8924 hours remaining, 209.710938 MB of memory in use. ENERGY: 1380800 712.1464 2120.5761 1933.7793 104.8924 -206445.7163 17805.0058 0.0000 0.0000 34578.1369 -149191.1795 301.9795 -183769.3164 -149102.4235 299.6009 23.8468 51.6409 556413.3810 7.1315 7.1973 PRESSURE: 1381000 -39.3251 151.54 0.577803 151.541 184.444 173.222 0.57872 173.222 13.7257 GPRESSURE: 1381000 -3.56115 159.938 -32.0122 64.0275 183.976 130.08 -47.3397 104.872 67.0062 PRESSAVG: 1381000 -5.27567 40.7549 -5.18485 40.7549 55.9064 32.8993 -5.18485 32.8994 -8.00626 GPRESSAVG: 1381000 -5.96515 40.6453 -5.36833 42.6375 54.8365 31.9841 -2.36841 32.0815 -7.21604 TIMING: 1381000 CPU: 4002.92, 0.00287815/step Wall: 4002.92, 0.00287815/step, 2.89334 hours remaining, 209.710938 MB of memory in use. ENERGY: 1381000 732.4146 2155.6317 1957.7520 112.0183 -206110.1941 17865.8451 0.0000 0.0000 34127.0850 -149159.4473 298.0403 -183286.5324 -149064.0868 299.3095 52.9483 82.4735 557866.8767 14.2081 13.8851 PRESSURE: 1381200 -151.51 203.65 -70.5641 203.65 124.965 -62.4932 -70.5654 -62.4951 3.94458 GPRESSURE: 1381200 -97.2172 245.477 -53.5646 224.234 152.437 -144.926 -47.2256 -50.4957 16.7627 PRESSAVG: 1381200 22.0432 18.4795 0.576441 18.4795 -0.141978 10.9556 0.576586 10.9556 -20.1144 GPRESSAVG: 1381200 21.5748 20.0581 0.0884594 15.891 -0.581423 9.53278 0.407722 12.1153 -19.2994 TIMING: 1381200 CPU: 4003.49, 0.0028856/step Wall: 4003.49, 0.0028856/step, 2.90067 hours remaining, 209.710938 MB of memory in use. ENERGY: 1381200 734.8056 2109.1504 1933.2668 112.4574 -206020.8217 17597.8924 0.0000 0.0000 34322.4826 -149210.7665 299.7468 -183533.2491 -149111.5599 299.2077 -7.5334 23.9940 557288.0285 0.5956 0.5647 PRESSURE: 1381400 156.218 94.1611 -109.315 94.1625 -211.252 -127.898 -109.315 -127.898 -94.3883 GPRESSURE: 1381400 181.734 109.157 -159.26 128.338 -176.51 -68.0223 -128.031 -223.286 -64.4997 PRESSAVG: 1381400 -5.65389 42.2141 -17.6987 42.2142 0.225351 11.4375 -17.6987 11.4373 -1.24682 GPRESSAVG: 1381400 -5.66748 40.8679 -15.9722 44.9106 1.51699 14.3641 -18.1807 7.41777 -2.71013 TIMING: 1381400 CPU: 4004.06, 0.00285192/step Wall: 4004.06, 0.00285192/step, 2.86666 hours remaining, 209.710938 MB of memory in use. ENERGY: 1381400 736.1165 2107.4445 1926.8599 105.2489 -206295.6386 17756.5910 0.0000 0.0000 34389.6196 -149273.7583 300.3331 -183663.3778 -149174.0091 299.2946 -49.8072 -19.7583 558024.9256 -2.2251 -2.2869 PRESSURE: 1381600 -241.21 -17.6587 30.9512 -17.659 38.9014 -243.111 30.9522 -243.111 -119.347 GPRESSURE: 1381600 -199.652 -33.3347 28.8002 -34.8364 97.4788 -189.522 89.2724 -224.679 -117.275 PRESSAVG: 1381600 -19.4402 17.8597 -57.3017 17.8597 -28.9628 -45.7361 -57.3017 -45.7362 38.9408 GPRESSAVG: 1381600 -19.2604 16.9121 -58.0668 17.918 -28.9303 -48.1188 -58.6498 -41.4576 38.3779 TIMING: 1381600 CPU: 4004.63, 0.00285706/step Wall: 4004.63, 0.00285705/step, 2.87166 hours remaining, 209.710938 MB of memory in use. ENERGY: 1381600 734.1258 2026.4704 1944.3730 109.5970 -206211.2646 17640.8207 0.0000 0.0000 34307.2950 -149448.5827 299.6141 -183755.8777 -149347.3075 298.9435 -107.2185 -73.1494 557757.4112 -3.1541 -3.2709 PRESSURE: 1381800 64.0053 -273.918 21.8444 -273.918 36.7087 172.364 21.8442 172.364 216.634 GPRESSURE: 1381800 98.5133 -229.789 59.4212 -222.334 42.8076 263.349 -12.3475 153.339 278.619 PRESSAVG: 1381800 -26.8647 -14.2396 6.69579 -14.2396 -22.263 39.8424 6.69577 39.8424 7.83994 GPRESSAVG: 1381800 -26.4588 -15.0149 6.73833 -14.3666 -22.5459 42.1965 6.78233 37.2436 7.93722 TIMING: 1381800 CPU: 4005.21, 0.00285853/step Wall: 4005.21, 0.00285853/step, 2.87298 hours remaining, 209.710938 MB of memory in use. ENERGY: 1381800 755.9603 2109.9570 1923.5155 97.7360 -206720.3530 18142.8724 0.0000 0.0000 34190.0858 -149500.2259 298.5905 -183690.3117 -149401.4079 298.7046 105.7828 139.9801 557101.1957 -13.7626 -13.6892 PRESSURE: 1382000 46.6002 -94.398 -64.4421 -94.3984 -427.448 -43.4569 -64.4418 -43.4563 -411.162 GPRESSURE: 1382000 9.37974 -113.012 -81.5629 -96.8786 -312.446 -14.5251 -24.4651 -77.1651 -399.54 PRESSAVG: 1382000 2.23261 -55.3933 -26.2226 -55.3934 3.46451 27.1478 -26.2226 27.1478 -14.5868 GPRESSAVG: 1382000 1.20218 -55.2894 -24.7183 -56.2317 3.75699 26.0857 -26.4767 27.5104 -14.2813 TIMING: 1382000 CPU: 4005.78, 0.00287964/step Wall: 4005.78, 0.00287964/step, 2.89403 hours remaining, 209.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1382000 742.0773 2102.8982 1922.0034 106.2371 -205909.7956 17445.4941 0.0000 0.0000 34132.3606 -149458.7249 298.0864 -183591.0855 -149353.9100 298.5165 -264.0032 -234.2020 558040.7032 -2.9632 -3.1074 PRESSURE: 1382200 -252.762 -8.34448 60.4239 -8.34513 -124.979 -45.2668 60.4244 -45.2647 -266.257 GPRESSURE: 1382200 -277.889 -11.3184 22.5638 -78.2503 -31.5051 18.7045 35.7023 5.54424 -251.116 PRESSAVG: 1382200 49.8572 -35.6824 22.02 -35.6825 -61.0375 -16.1507 22.02 -16.1507 -15.8839 GPRESSAVG: 1382200 49.3174 -33.6909 21.5146 -36.7876 -59.6648 -16.7995 23.3589 -14.6915 -16.694 TIMING: 1382200 CPU: 4006.36, 0.00288548/step Wall: 4006.36, 0.00288548/step, 2.89974 hours remaining, 209.710938 MB of memory in use. ENERGY: 1382200 751.3238 2069.8263 1913.0787 94.8342 -206385.4330 17720.2926 0.0000 0.0000 34358.6701 -149477.4074 300.0628 -183836.0774 -149380.1559 298.4204 -214.6661 -186.8368 557684.9383 -9.0214 -9.0138 PRESSURE: 1382400 -184.729 -60.0967 121.795 -60.0972 83.9494 25.2212 121.794 25.2228 -275.089 GPRESSURE: 1382400 -159.062 -154.547 39.8824 -15.8056 145.227 23.2279 198.162 34.9366 -279.232 PRESSAVG: 1382400 65.7221 26.5404 9.96341 26.5405 30.4625 59.0578 9.96341 59.0579 -45.2287 GPRESSAVG: 1382400 66.9567 24.7864 9.2829 28.7297 29.1492 60.2935 9.24753 57.2702 -45.0278 TIMING: 1382400 CPU: 4006.94, 0.00288299/step Wall: 4006.94, 0.00288299/step, 2.89708 hours remaining, 209.710938 MB of memory in use. ENERGY: 1382400 797.2859 2129.5203 1938.5514 102.0112 -206286.1259 17783.9234 0.0000 0.0000 34192.8924 -149341.9413 298.6150 -183534.8337 -149243.5141 299.0245 -125.2895 -97.6887 557748.3159 16.9853 17.0260 PRESSURE: 1382600 24.549 -13.2873 -268.17 -13.2868 129.918 26.4149 -268.171 26.4142 113.229 GPRESSURE: 1382600 36.5639 98.1324 -246.554 -17.9147 176.541 44.6859 -258.607 35.3874 150.891 PRESSAVG: 1382600 64.8914 5.73946 -57.2375 5.73942 -11.0257 54.23 -57.2375 54.2299 -22.0503 GPRESSAVG: 1382600 63.3582 7.23517 -56.7773 5.23718 -10.1745 53.0896 -57.2506 53.7215 -21.3271 TIMING: 1382600 CPU: 4007.51, 0.00287077/step Wall: 4007.51, 0.00287077/step, 2.88464 hours remaining, 209.710938 MB of memory in use. ENERGY: 1382600 745.7887 2112.5914 1904.0901 101.7343 -206584.6569 18055.6319 0.0000 0.0000 34261.5115 -149403.3089 299.2143 -183664.8204 -149306.5571 299.2673 89.2321 121.3320 557629.2677 10.6052 10.6188 PRESSURE: 1382800 -149.229 -175.996 -51.2095 -175.995 -137.985 -46.1853 -51.2088 -46.1842 -132.991 GPRESSURE: 1382800 -121.159 -207.287 19.6766 -194.491 -116.835 -1.58241 -71.6393 -68.8616 -90.6693 PRESSAVG: 1382800 -8.17585 -0.18436 -20.4388 -0.184377 -26.2932 6.25621 -20.4388 6.25614 6.94705 GPRESSAVG: 1382800 -7.95082 -0.387466 -19.6961 -1.34864 -26.6736 6.40102 -21.5366 8.73366 7.13095 TIMING: 1382800 CPU: 4008.09, 0.00288115/step Wall: 4008.09, 0.00288115/step, 2.89492 hours remaining, 209.710938 MB of memory in use. ENERGY: 1382800 713.9502 2119.2603 1907.7298 108.0398 -206152.2463 17518.9584 0.0000 0.0000 34225.7307 -149558.5770 298.9018 -183784.3077 -149464.3901 298.4548 -140.0684 -109.5544 558262.5095 -9.1740 -9.1645 PRESSURE: 1383000 -4.41504 64.8832 124.86 64.8834 12.192 169.866 124.859 169.864 -225.347 GPRESSURE: 1383000 20.5029 142.835 188.72 -12.4951 52.1689 127.279 113.432 169.025 -208.997 PRESSAVG: 1383000 -21.9906 -8.64108 -55.3354 -8.64106 21.7008 71.3743 -55.3354 71.3744 -12.7986 GPRESSAVG: 1383000 -20.2169 -9.7457 -55.572 -8.86494 21.5471 70.4371 -55.0283 69.9514 -14.6899 TIMING: 1383000 CPU: 4008.66, 0.00288707/step Wall: 4008.66, 0.00288707/step, 2.9007 hours remaining, 209.710938 MB of memory in use. ENERGY: 1383000 730.8232 2190.3712 1914.9953 118.0100 -206433.0594 17924.0000 0.0000 0.0000 33831.3377 -149723.5219 295.4575 -183554.8597 -149630.0957 298.0741 -72.5233 -45.4417 558901.8858 -4.3628 -4.4532 PRESSURE: 1383200 85.0628 -17.3517 19.8486 -17.3517 -41.1594 -31.6817 19.8491 -31.6796 284.542 GPRESSURE: 1383200 171.266 29.5667 79.0337 -156.342 -32.0285 5.55843 22.3158 -110.148 292.514 PRESSAVG: 1383200 91.5336 -20.4058 7.94479 -20.4058 -81.3501 24.6161 7.94477 24.616 -58.3371 GPRESSAVG: 1383200 91.2534 -20.2175 7.86446 -20.5644 -81.0446 25.4428 8.68764 24.2416 -57.9948 TIMING: 1383200 CPU: 4009.24, 0.00288272/step Wall: 4009.24, 0.00288272/step, 2.89617 hours remaining, 209.710938 MB of memory in use. ENERGY: 1383200 697.4711 2110.2104 1923.9048 118.9951 -207022.3881 18215.5819 0.0000 0.0000 34050.8973 -149905.3275 297.3750 -183956.2247 -149805.8966 297.1164 109.4817 143.9172 556836.2650 -16.0512 -15.9287 PRESSURE: 1383400 1.09605 -71.7882 159.666 -71.7888 -30.1689 49.398 159.666 49.3977 -109.89 GPRESSURE: 1383400 2.81148 -69.8681 162.754 -2.39976 -26.9723 2.47085 94.9075 61.9641 -16.8494 PRESSAVG: 1383400 -58.3188 27.296 2.21182 27.296 3.13957 -12.8343 2.21176 -12.8343 38.5105 GPRESSAVG: 1383400 -58.4048 27.488 2.34907 27.7097 3.31277 -13.6186 2.16862 -12.7536 38.5523 TIMING: 1383400 CPU: 4009.82, 0.00288675/step Wall: 4009.82, 0.00288675/step, 2.90006 hours remaining, 209.710938 MB of memory in use. ENERGY: 1383400 727.5887 2070.6894 1918.0894 128.2212 -206260.5954 17518.5297 0.0000 0.0000 34169.5065 -149727.9705 298.4108 -183897.4770 -149632.6163 297.7725 -46.3211 -13.6701 555517.1541 -5.5562 -5.5133 PRESSURE: 1383600 -64.5679 -34.6548 -20.4583 -34.653 48.9259 -19.6727 -20.4597 -19.6733 -23.2246 GPRESSURE: 1383600 -64.7572 -56.4773 60.5557 -65.1918 60.0486 -74.7672 -141.595 -6.27919 50.2607 PRESSAVG: 1383600 3.78077 14.5638 45.352 14.5639 54.7459 2.94198 45.3521 2.94185 -21.1917 GPRESSAVG: 1383600 3.14722 12.3336 45.6542 13.7226 54.0756 2.06081 44.8075 2.50121 -19.4001 TIMING: 1383600 CPU: 4010.4, 0.00290395/step Wall: 4010.4, 0.00290395/step, 2.91718 hours remaining, 209.710938 MB of memory in use. ENERGY: 1383600 766.9879 2105.1828 1904.2409 117.0635 -206342.6525 17813.3340 0.0000 0.0000 34141.4650 -149494.3785 298.1659 -183635.8434 -149401.1126 298.7604 -12.9555 15.1840 556131.9794 12.4450 12.6076 PRESSURE: 1383800 -80.1984 -42.5586 -91.4472 -42.5584 -11.8574 -102.426 -91.448 -102.428 40.9709 GPRESSURE: 1383800 -57.7188 42.872 -103.23 -138.442 -22.3724 -196.811 -113.274 -66.4624 128.001 PRESSAVG: 1383800 -14.1164 -18.2519 49.8607 -18.2518 26.0738 11.9057 49.8607 11.9057 -1.64573 GPRESSAVG: 1383800 -13.3948 -18.1274 51.7222 -16.0147 28.0083 13.2282 48.0893 12.2978 -4.006 TIMING: 1383800 CPU: 4010.97, 0.00286668/step Wall: 4010.97, 0.00286668/step, 2.87958 hours remaining, 209.710938 MB of memory in use. ENERGY: 1383800 769.5798 2143.1229 1939.8069 112.3089 -206810.9734 18077.6187 0.0000 0.0000 34140.7609 -149627.7753 298.1598 -183768.5363 -149529.4157 299.1264 -17.0283 15.9698 557981.0781 3.4372 3.5358 PRESSURE: 1384000 -198.36 -43.5378 1.92851 -43.5372 -182.444 3.72909 1.92932 3.72998 13.9414 GPRESSURE: 1384000 -169.922 -106.706 -89.7202 63.9414 -171.282 -81.6159 46.857 69.8305 57.0184 PRESSAVG: 1384000 -23.6115 -10.6533 7.56302 -10.6533 50.7563 -25.1649 7.56302 -25.1648 -14.4484 GPRESSAVG: 1384000 -23.3514 -10.4228 6.02415 -10.814 49.5533 -25.2338 8.22614 -23.4035 -13.2964 TIMING: 1384000 CPU: 4011.55, 0.00287684/step Wall: 4011.55, 0.00287684/step, 2.88962 hours remaining, 209.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1384000 822.5377 2062.0111 1923.6276 103.7428 -206537.1780 17932.3971 0.0000 0.0000 33961.2550 -149731.6068 296.5921 -183692.8618 -149636.3109 297.9881 -122.2876 -94.7283 558643.7996 4.2321 4.3019 PRESSURE: 1384200 188.015 -143.995 -31.4818 -143.995 -30.2823 30.7542 -31.4826 30.7549 28.3819 GPRESSURE: 1384200 183.443 -109.59 6.06798 -177.896 35.6255 -9.6768 -79.0079 50.3883 68.0772 PRESSAVG: 1384200 43.687 -0.936366 -15.0184 -0.936482 -8.59357 9.01875 -15.0184 9.01873 22.1352 GPRESSAVG: 1384200 43.077 -0.452351 -14.9884 -0.191846 -7.7366 7.81651 -14.5383 7.96844 22.4112 TIMING: 1384200 CPU: 4012.12, 0.00288183/step Wall: 4012.12, 0.00288183/step, 2.89447 hours remaining, 209.710938 MB of memory in use. ENERGY: 1384200 761.7375 2064.9967 1966.4351 107.5098 -207009.2619 18133.3523 0.0000 0.0000 34448.7642 -149526.4662 300.8496 -183975.2304 -149425.9848 298.8533 62.0381 95.7151 557794.9319 19.0762 19.2505 LDB: ============= START OF LOAD BALANCING ============== 4015.51 LDB: ============== END OF LOAD BALANCING =============== 4015.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4015.51 LDB: ============= START OF LOAD BALANCING ============== 4015.8 LDB: Largest compute 4822 load 0.023909 is 20.3% of average load 0.117995 LDB: Average compute 0.001723 is 1.5% of average load 0.117995 LDB: TIME 4015.8 LOAD: AVG 0.117995 MAX 0.182233 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 4015.8 LOAD: AVG 0.117995 MAX 0.182233 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.441 MB LDB: TIME 4015.8 LOAD: AVG 0.117995 MAX 0.182233 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.441 MB LDB: ============== END OF LOAD BALANCING =============== 4015.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4015.81 PRESSURE: 1384400 -48.5955 90.2902 -195.667 90.2905 -84.1404 68.4651 -195.667 68.4639 6.72436 GPRESSURE: 1384400 -23.8487 66.4689 -31.5173 153.461 -95.089 93.4631 -297.951 20.0704 78.5901 PRESSAVG: 1384400 -6.02788 -1.15099 17.6073 -1.15091 -53.716 33.8136 17.6073 33.8135 -2.46771 GPRESSAVG: 1384400 -5.05712 -1.11362 16.3098 -1.98271 -53.9925 35.0678 17.0921 31.7709 -3.07595 TIMING: 1384400 CPU: 4012.71, 0.00293999/step Wall: 4012.71, 0.00293999/step, 2.95273 hours remaining, 209.632812 MB of memory in use. ENERGY: 1384400 747.4225 2073.6569 1924.8197 116.6048 -206148.4364 17828.4385 0.0000 0.0000 33956.3802 -149501.1138 296.5495 -183457.4941 -149413.6165 297.9749 -42.0038 -13.4492 559033.9649 -20.7372 -20.7085 PRESSURE: 1384600 -40.559 -102.219 18.2909 -102.219 -109.229 170.309 18.2907 170.308 -261.611 GPRESSURE: 1384600 36.7566 -34.9445 -30.2337 -52.9068 -58.4989 233.066 65.5122 47.9071 -302.035 PRESSAVG: 1384600 61.3776 -13.7669 -13.6241 -13.767 39.3561 10.3111 -13.624 10.311 -38.2038 GPRESSAVG: 1384600 60.234 -11.8999 -14.3138 -16.3832 39.9607 10.0633 -13.6039 11.7088 -37.5247 TIMING: 1384600 CPU: 4013.29, 0.00290339/step Wall: 4013.29, 0.00290339/step, 2.91581 hours remaining, 209.875000 MB of memory in use. ENERGY: 1384600 714.7037 2075.4278 1909.5631 111.9511 -206226.5151 17614.6385 0.0000 0.0000 34299.2599 -149500.9711 299.5440 -183800.2309 -149403.0818 298.3600 -137.1330 -107.9258 559271.6268 20.8433 20.8900 PRESSURE: 1384800 -120.489 -22.4483 205.937 -22.4492 -56.3442 -134.019 205.938 -134.019 57.894 GPRESSURE: 1384800 -75.1779 43.2324 192.895 -81.473 -31.0995 -217.6 210.324 23.0488 72.1287 PRESSAVG: 1384800 -57.6022 14.1411 26.2172 14.1411 5.2932 45.2449 26.2171 45.2449 50.1284 GPRESSAVG: 1384800 -56.94 13.4355 27.923 17.6483 5.15187 45.1799 24.625 43.9732 49.2502 TIMING: 1384800 CPU: 4013.88, 0.00293724/step Wall: 4013.88, 0.00293724/step, 2.94964 hours remaining, 209.875000 MB of memory in use. ENERGY: 1384800 761.4441 2092.6214 1933.2479 108.3825 -206280.7616 17705.8104 0.0000 0.0000 34159.4441 -149519.8112 298.3229 -183679.2553 -149425.7217 298.4961 -39.6463 -11.3829 556633.2823 -0.7268 -0.8460 PRESSURE: 1385000 47.2315 168.329 22.0045 168.329 -27.7955 -48.4336 22.0063 -48.4351 -28.6016 GPRESSURE: 1385000 91.1833 208.749 26.3392 238.086 -15.8554 -20.7792 62.9584 -32.277 6.79598 PRESSAVG: 1385000 -32.6255 -38.7217 31.5631 -38.7218 -15.7279 -46.7703 31.5631 -46.7702 27.7375 GPRESSAVG: 1385000 -32.7434 -39.8971 31.3108 -38.7002 -16.0314 -46.5936 34.4196 -45.585 28.3969 TIMING: 1385000 CPU: 4014.46, 0.00290058/step Wall: 4014.46, 0.00290058/step, 2.91266 hours remaining, 209.875000 MB of memory in use. ENERGY: 1385000 783.5728 2025.2032 1936.9732 116.1989 -206117.2035 17862.1769 0.0000 0.0000 34028.6379 -149364.4407 297.1806 -183393.0786 -149274.5678 298.6409 -3.0552 27.3746 557183.4331 -6.8720 -6.7926 PRESSURE: 1385200 73.3709 25.3812 -47.5464 25.3815 -312.007 150.406 -47.5458 150.405 -172.913 GPRESSURE: 1385200 28.0827 -18.7376 -43.9964 81.4449 -229.761 196.637 -106.505 139.641 -127.241 PRESSAVG: 1385200 57.6265 18.2476 -19.3507 18.2478 -81.5491 28.9631 -19.3507 28.9631 18.5172 GPRESSAVG: 1385200 58.6277 17.1732 -20.0331 18.5411 -82.6928 30.5436 -19.1716 26.3692 18.9573 TIMING: 1385200 CPU: 4015.04, 0.00289363/step Wall: 4015.04, 0.00289363/step, 2.90552 hours remaining, 209.875000 MB of memory in use. ENERGY: 1385200 771.5933 2110.6558 1932.4667 115.7655 -206052.2628 17589.0401 0.0000 0.0000 34192.1901 -149340.5514 298.6089 -183532.7415 -149241.2607 298.6401 -137.1828 -109.6400 558438.0464 -1.8018 -1.7026 PRESSURE: 1385400 91.5569 -57.8373 31.8914 -57.8387 55.0685 8.6695 31.8911 8.66846 229.376 GPRESSURE: 1385400 137.041 27.5478 1.86871 -14.6354 62.8832 2.11143 17.5016 48.7106 273.517 PRESSAVG: 1385400 9.32293 -44.0311 -15.9739 -44.0312 30.1572 35.6262 -15.974 35.6262 -26.6457 GPRESSAVG: 1385400 8.36009 -42.693 -17.6308 -44.808 31.4345 34.1498 -15.0964 38.6275 -26.7598 TIMING: 1385400 CPU: 4015.62, 0.00292588/step Wall: 4015.62, 0.00292588/step, 2.93774 hours remaining, 209.875000 MB of memory in use. ENERGY: 1385400 747.6883 2035.7041 1951.5641 114.9263 -206214.1668 17852.6755 0.0000 0.0000 34057.4093 -149454.1990 297.4318 -183511.6083 -149362.5750 298.7263 125.3337 157.8136 557233.0675 4.2782 4.3449 PRESSURE: 1385600 257.572 118.126 -30.0938 118.125 -127.386 122.508 -30.094 122.508 -102.379 GPRESSURE: 1385600 294.039 104.747 -133.383 35.9995 -100.451 128.868 6.64592 120.35 -57.0365 PRESSAVG: 1385600 59.353 0.202878 20.4003 0.202929 2.32619 12.6503 20.4003 12.6503 -14.4058 GPRESSAVG: 1385600 59.5502 -1.81726 19.3677 1.77911 2.23865 11.2517 18.2052 13.4698 -13.9335 TIMING: 1385600 CPU: 4016.21, 0.00291361/step Wall: 4016.21, 0.00291361/step, 2.92526 hours remaining, 209.875000 MB of memory in use. ENERGY: 1385600 736.6658 2105.2761 1920.2915 122.6324 -206535.6053 18018.4092 0.0000 0.0000 34093.7707 -149538.5596 297.7494 -183632.3303 -149449.8491 298.3650 9.2689 45.5172 557986.8919 15.7578 15.9518 PRESSURE: 1385800 -117.604 148.279 107.747 148.28 -152.381 49.9631 107.746 49.9628 119.648 GPRESSURE: 1385800 -99.6668 94.166 207.477 195.512 -95.1145 14.556 38.1523 50.2909 147.612 PRESSAVG: 1385800 28.3186 -42.6107 -41.3371 -42.6107 29.8864 -32.8795 -41.3373 -32.8794 -51.163 GPRESSAVG: 1385800 27.5338 -41.4361 -38.9183 -43.3304 30.2382 -32.0539 -39.9873 -33.8968 -50.5808 TIMING: 1385800 CPU: 4016.79, 0.0028975/step Wall: 4016.79, 0.0028975/step, 2.90893 hours remaining, 209.875000 MB of memory in use. ENERGY: 1385800 786.3776 2063.7339 1925.7646 115.4195 -206946.0211 18100.3328 0.0000 0.0000 34324.6875 -149629.7052 299.7660 -183954.3928 -149525.9016 298.3842 -50.1122 -15.7233 557123.9480 2.3474 2.3971 PRESSURE: 1386000 17.1471 -74.1671 41.726 -74.1654 -27.0903 -26.989 41.7269 -26.9893 -59.4745 GPRESSURE: 1386000 58.0878 -98.963 26.2798 40.8409 -24.3412 -36.5125 7.29833 -13.5287 4.51904 PRESSAVG: 1386000 33.2607 -23.3024 19.8703 -23.3024 8.40119 -29.6283 19.8703 -29.6283 -15.4642 GPRESSAVG: 1386000 33.6777 -22.1559 19.6832 -23.6934 7.77178 -26.8205 19.1042 -30.3572 -14.642 TIMING: 1386000 CPU: 4017.36, 0.00288951/step Wall: 4017.36, 0.00288951/step, 2.90075 hours remaining, 209.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1386000 771.5716 2065.1658 1937.1661 102.7645 -206479.0263 17833.4963 0.0000 0.0000 33993.1756 -149775.6864 296.8709 -183768.8619 -149680.2804 297.7911 -23.1392 12.7552 556833.6548 8.7326 8.9358 PRESSURE: 1386200 190.716 45.1864 136.171 45.1861 175.537 -30.0073 136.171 -30.0063 187.947 GPRESSURE: 1386200 204.352 140.212 107.325 -66.7384 220.301 -31.9128 197.045 -76.5936 227.472 PRESSAVG: 1386200 26.8309 -24.5304 -6.18938 -24.5303 -11.8963 4.36827 -6.18941 4.36822 -25.5355 GPRESSAVG: 1386200 27.7955 -25.5424 -6.28169 -24.5583 -11.7963 1.34581 -6.5704 6.05179 -26.9603 TIMING: 1386200 CPU: 4017.94, 0.00288339/step Wall: 4017.94, 0.00288339/step, 2.89445 hours remaining, 209.875000 MB of memory in use. ENERGY: 1386200 732.6217 2065.6444 1930.6234 120.3738 -206733.5721 18110.3037 0.0000 0.0000 34063.7269 -149710.2782 297.4870 -183774.0051 -149613.2688 297.0633 184.7334 217.3753 555751.9965 -3.5336 -3.6537 PRESSURE: 1386400 251.041 -30.4718 141.981 -30.4708 19.8093 1.33452 141.981 1.33465 24.6089 GPRESSURE: 1386400 284.901 -52.8333 140.997 -3.64022 31.2415 77.6413 136.372 -19.8897 74.8167 PRESSAVG: 1386400 31.6352 -48.001 6.97893 -48.0011 5.78682 2.40574 6.97901 2.40572 -18.9788 GPRESSAVG: 1386400 30.7011 -48.4038 8.20188 -48.7152 6.01439 2.64429 7.37836 0.730143 -18.2703 TIMING: 1386400 CPU: 4018.52, 0.00290815/step Wall: 4018.52, 0.00290815/step, 2.91914 hours remaining, 209.875000 MB of memory in use. ENERGY: 1386400 741.3101 2102.0197 1930.8535 132.3675 -206502.9953 17972.7061 0.0000 0.0000 34030.7898 -149592.9486 297.1994 -183623.7385 -149503.0332 297.6517 98.4864 130.3199 556338.3405 6.1477 6.1484 PRESSURE: 1386600 -74.5138 39.6235 -18.1217 39.6237 144.527 -125.959 -18.122 -125.959 79.609 GPRESSURE: 1386600 -145.562 30.648 23.2532 17.9008 267.155 -114.75 -54.3997 -111.328 127.725 PRESSAVG: 1386600 14.2188 -29.9342 -40.1645 -29.9341 18.763 -25.6105 -40.1645 -25.6105 -45.8546 GPRESSAVG: 1386600 14.657 -28.7627 -41.1122 -31.1348 18.6791 -24.8831 -40.4058 -24.5395 -45.9047 TIMING: 1386600 CPU: 4019.11, 0.00295163/step Wall: 4019.11, 0.00295163/step, 2.96262 hours remaining, 209.875000 MB of memory in use. ENERGY: 1386600 752.7187 2110.1853 1928.7937 109.2672 -206640.3183 18082.9203 0.0000 0.0000 34155.9164 -149500.5166 298.2921 -183656.4331 -149405.0519 297.7919 49.8740 83.1059 557713.8625 -4.2909 -4.1895 PRESSURE: 1386800 -76.0583 -20.5079 28.546 -20.5084 -56.1302 -207.421 28.5465 -207.42 -13.8826 GPRESSURE: 1386800 7.44731 -43.3176 12.6301 -86.4031 -24.8189 -221.61 81.6885 -108.052 -14.288 PRESSAVG: 1386800 74.8205 2.31557 25.6692 2.31555 -41.9371 -86.5264 25.6692 -86.5265 -56.2218 GPRESSAVG: 1386800 75.3299 0.932655 24.7325 5.78956 -41.9513 -86.0248 27.0152 -88.0724 -56.9156 TIMING: 1386800 CPU: 4019.69, 0.00290714/step Wall: 4019.69, 0.00290714/step, 2.9178 hours remaining, 209.875000 MB of memory in use. ENERGY: 1386800 746.7952 2040.9344 1952.3791 124.5356 -206534.2107 17784.8989 0.0000 0.0000 34262.1078 -149622.5597 299.2195 -183884.6675 -149520.2827 298.6337 -48.6904 -10.5532 556253.2612 -7.7795 -7.8457 PRESSURE: 1387000 16.3192 -131.454 -1.15261 -131.454 -235.091 -96.4855 -1.15129 -96.486 -73.1675 GPRESSURE: 1387000 33.3502 -202.12 -1.01067 -42.3698 -207.304 -69.4066 -34.0107 -95.2526 -21.9489 PRESSAVG: 1387000 -23.4087 -30.4483 36.7155 -30.4483 5.97189 1.30521 36.7155 1.30504 10.1417 GPRESSAVG: 1387000 -25.5963 -31.9617 37.4809 -31.3045 7.06491 1.23387 36.9172 3.31 11.0291 TIMING: 1387000 CPU: 4020.28, 0.00291687/step Wall: 4020.28, 0.00291687/step, 2.92741 hours remaining, 209.875000 MB of memory in use. ENERGY: 1387000 737.1927 2076.4774 1886.7485 111.0434 -206047.9831 17739.1154 0.0000 0.0000 34188.2631 -149309.1426 298.5746 -183497.4057 -149216.1124 298.3262 -97.3130 -65.3007 558691.3626 -2.4317 -2.5008 PRESSURE: 1387200 -299.97 59.5902 129.016 59.5902 -95.7202 103.458 129.016 103.458 171.548 GPRESSURE: 1387200 -245.936 100.506 81.3641 26.1361 -45.7012 55.0052 172.891 69.1266 174.257 PRESSAVG: 1387200 19.4268 -15.7705 32.1663 -15.7705 -67.6045 25.4913 32.1663 25.4914 46.8428 GPRESSAVG: 1387200 20.1886 -14.7743 34.2866 -17.2602 -67.9862 25.7817 30.864 22.708 47.0143 TIMING: 1387200 CPU: 4020.85, 0.00288139/step Wall: 4020.85, 0.00288139/step, 2.89164 hours remaining, 209.875000 MB of memory in use. ENERGY: 1387200 754.6603 2102.6658 1905.2461 115.6271 -205929.7270 17692.2543 0.0000 0.0000 34218.0682 -149141.2051 298.8349 -183359.2733 -149044.9260 299.2227 -74.7144 -39.1269 558302.4662 -0.4450 -0.2611 PRESSURE: 1387400 70.764 -150.098 44.4994 -150.099 48.8412 144.03 44.5002 144.03 -203.12 GPRESSURE: 1387400 142.201 -133.709 34.3965 -97.1368 101.888 57.0865 21.9474 208.94 -239.111 PRESSAVG: 1387400 -23.1358 -21.9942 64.8875 -21.9943 0.265783 60.9597 64.8876 60.9599 -23.7687 GPRESSAVG: 1387400 -23.3033 -19.7619 64.4662 -24.3578 0.535778 59.0124 64.8124 62.88 -23.8204 TIMING: 1387400 CPU: 4021.43, 0.00287022/step Wall: 4021.43, 0.00287022/step, 2.88027 hours remaining, 209.875000 MB of memory in use. ENERGY: 1387400 745.4446 2107.5509 1955.2102 110.0307 -205777.0457 17633.6246 0.0000 0.0000 34286.0696 -148939.1152 299.4288 -183225.1847 -148841.1816 299.7206 -27.8382 1.6594 558371.9541 -15.5463 -15.5293 PRESSURE: 1387600 -34.7859 2.04092 -139.797 2.04124 95.7324 92.3175 -139.797 92.3175 -4.35617 GPRESSURE: 1387600 26.5036 55.6879 5.43727 -29.2391 58.998 10.6924 -228.573 205.535 57.762 PRESSAVG: 1387600 9.87841 -19.9055 22.1905 -19.9054 -1.6255 25.5489 22.1906 25.5489 3.19483 GPRESSAVG: 1387600 10.1432 -21.4533 21.4666 -17.8246 -2.20386 26.2363 21.8537 26.1469 3.46378 TIMING: 1387600 CPU: 4022, 0.00288135/step Wall: 4022, 0.00288135/step, 2.89128 hours remaining, 209.925781 MB of memory in use. ENERGY: 1387600 764.5889 2110.7811 1925.2691 119.7533 -205878.1453 17672.7601 0.0000 0.0000 34381.7008 -148903.2919 300.2639 -183284.9927 -148806.6451 300.0284 18.8634 47.7545 557605.0946 3.8159 3.8010 PRESSURE: 1387800 27.9317 100.078 136.943 100.078 213.746 96.8354 136.944 96.8353 148.917 GPRESSURE: 1387800 63.7339 189.417 184.577 83.6051 230.904 94.2726 128.524 -7.89617 195.035 PRESSAVG: 1387800 38.6118 -6.86815 30.2355 -6.86813 -60.4656 -0.505842 30.2354 -0.505838 -1.36079 GPRESSAVG: 1387800 38.2423 -5.91717 29.1234 -6.46687 -61.1066 0.522483 30.4386 -4.59004 -0.731671 TIMING: 1387800 CPU: 4022.58, 0.00286884/step Wall: 4022.58, 0.00286884/step, 2.87856 hours remaining, 209.925781 MB of memory in use. ENERGY: 1387800 723.9772 2106.3476 1932.2904 101.9123 -206204.4182 17933.0084 0.0000 0.0000 34452.8874 -148953.9949 300.8856 -183406.8823 -148858.5601 300.5512 130.1983 163.2243 556807.1663 -7.7382 -7.8653 PRESSURE: 1388000 -31.5045 22.9042 127.894 22.9049 -94.367 159.138 127.894 159.137 201.203 GPRESSURE: 1388000 26.4883 20.5277 91.1043 -5.21101 -70.8258 96.8938 227.783 115.989 214.734 PRESSAVG: 1388000 2.30697 -13.382 47.3234 -13.3821 -44.023 -2.62793 47.3234 -2.62789 31.0481 GPRESSAVG: 1388000 3.03774 -13.1282 48.6176 -14.6147 -43.2931 -3.41336 48.0098 -0.108975 29.6175 TIMING: 1388000 CPU: 4023.15, 0.00287475/step Wall: 4023.15, 0.00287475/step, 2.88433 hours remaining, 209.925781 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: 1388000 775.9325 2128.8882 1935.6276 132.4083 -206273.5088 17906.5227 0.0000 0.0000 34404.3728 -148989.7567 300.4619 -183394.1296 -148888.6720 300.1934 25.1104 56.7988 557009.9691 -3.5560 -3.5460 PRESSURE: 1388200 -604.685 -13.6467 62.8524 -13.6455 -351.322 109.96 62.8529 109.959 -270.972 GPRESSURE: 1388200 -622.658 37.8519 50.814 28.7911 -351.426 120.995 63.8822 81.1712 -152.197 PRESSAVG: 1388200 -30.8301 -35.2426 -33.928 -35.2425 -6.10352 37.1747 -33.9281 37.1747 37.6733 GPRESSAVG: 1388200 -31.89 -36.8782 -36.5075 -35.2493 -5.75336 37.3764 -31.5804 38.062 38.1977 TIMING: 1388200 CPU: 4023.73, 0.00287805/step Wall: 4023.73, 0.00287805/step, 2.88748 hours remaining, 209.925781 MB of memory in use. ENERGY: 1388200 753.7429 2110.4267 1923.6026 101.6435 -205455.0073 17140.8151 0.0000 0.0000 34268.1979 -149156.5785 299.2727 -183424.7764 -149055.4770 300.4052 -408.9930 -375.4267 559287.9716 0.2466 0.1848 LDB: ============= START OF LOAD BALANCING ============== 4027.11 LDB: ============== END OF LOAD BALANCING =============== 4027.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4027.11 LDB: ============= START OF LOAD BALANCING ============== 4027.4 LDB: Largest compute 4822 load 0.024028 is 20.4% of average load 0.117989 LDB: Average compute 0.001712 is 1.5% of average load 0.117989 LDB: TIME 4027.41 LOAD: AVG 0.117989 MAX 0.188004 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.09 MB LDB: TIME 4027.41 LOAD: AVG 0.117989 MAX 0.188004 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: TIME 4027.41 LOAD: AVG 0.117989 MAX 0.188004 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4027.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4027.41 PRESSURE: 1388400 -118.598 49.1597 -100.908 49.1595 120.475 -123.08 -100.909 -123.079 93.8348 GPRESSURE: 1388400 -16.1934 69.8407 -99.5862 85.3556 159.85 -118.002 -58.505 -107.303 51.1021 PRESSAVG: 1388400 32.7074 -68.1069 -3.76563 -68.1069 -8.29604 39.6862 -3.76562 39.6862 -21.8271 GPRESSAVG: 1388400 33.119 -67.8414 -2.24541 -65.814 -7.77666 39.7648 -4.25309 38.386 -22.5185 TIMING: 1388400 CPU: 4024.32, 0.00295664/step Wall: 4024.32, 0.00295664/step, 2.96617 hours remaining, 210.925781 MB of memory in use. ENERGY: 1388400 753.8750 2107.9430 1925.6275 99.0594 -206048.0961 17801.0968 0.0000 0.0000 34280.6291 -149079.8652 299.3813 -183360.4943 -148980.9356 299.5446 31.9039 64.9194 556793.5084 0.8614 0.9413 PRESSURE: 1388600 -37.5285 -39.7154 -6.3288 -39.7164 -313.025 6.27926 -6.32975 6.27836 43.9261 GPRESSURE: 1388600 -32.377 -109.313 -4.3338 -52.3376 -270.079 39.0928 -3.23164 53.7534 91.3597 PRESSAVG: 1388600 2.71579 -45.3438 -19.6141 -45.3437 -1.68979 84.6806 -19.6141 84.6806 26.0673 GPRESSAVG: 1388600 3.64521 -47.0488 -20.382 -46.3967 -2.34932 83.492 -19.6695 85.0798 25.4561 TIMING: 1388600 CPU: 4024.9, 0.00290514/step Wall: 4024.9, 0.00290514/step, 2.91434 hours remaining, 210.996094 MB of memory in use. ENERGY: 1388600 739.1678 2116.9003 1913.2754 116.7040 -205928.0279 17672.5568 0.0000 0.0000 34356.9743 -149012.4491 300.0480 -183369.4234 -148907.5179 300.1019 -102.2092 -70.3653 557150.3072 9.0311 8.9173 PRESSURE: 1388800 81.462 -142.168 -68.2223 -142.168 -21.7055 3.31675 -68.2225 3.3156 66.4288 GPRESSURE: 1388800 106.98 -98.4099 -82.9025 -166.509 -37.9855 -22.2146 -93.5333 -6.57524 154.227 PRESSAVG: 1388800 46.3434 -57.9111 -9.2311 -57.9111 -79.1577 63.169 -9.2311 63.1688 27.0925 GPRESSAVG: 1388800 45.5254 -56.0511 -8.35024 -58.6361 -78.6609 65.3641 -10.8741 63.0088 27.5556 TIMING: 1388800 CPU: 4025.48, 0.00289807/step Wall: 4025.48, 0.00289807/step, 2.90708 hours remaining, 210.996094 MB of memory in use. ENERGY: 1388800 733.3523 2086.0880 1917.7081 110.6038 -205924.4253 17844.5034 0.0000 0.0000 33997.7375 -149234.4321 296.9107 -183232.1697 -149144.6940 299.2814 42.0618 74.4071 557340.7589 -1.9073 -1.8600 PRESSURE: 1389000 -41.8935 59.0656 -73.5623 59.0646 206.605 -23.6267 -73.5613 -23.6268 -16.2479 GPRESSURE: 1389000 -13.9326 153.536 -67.0925 -22.9342 195.911 70.9433 -93.2018 -40.8857 76.4256 PRESSAVG: 1389000 57.3363 -1.66924 74.9453 -1.66931 -43.1359 7.07599 74.9453 7.07597 29.8245 GPRESSAVG: 1389000 57.2884 -1.99326 74.3566 -3.03315 -43.3188 6.80551 75.1154 5.38796 30.1473 TIMING: 1389000 CPU: 4026.06, 0.00290177/step Wall: 4026.06, 0.00290177/step, 2.91064 hours remaining, 210.996094 MB of memory in use. ENERGY: 1389000 751.8612 2058.0514 1928.9757 117.7012 -206198.8130 17845.1295 0.0000 0.0000 34368.9266 -149128.1673 300.1524 -183497.0940 -149023.4368 299.1858 49.4877 86.1345 557338.0710 14.6750 14.7056 PRESSURE: 1389200 -19.1015 -85.7696 117.057 -85.7697 113.179 156.591 117.056 156.59 -107.89 GPRESSURE: 1389200 13.5918 50.0678 77.5477 -156.03 121.64 113.982 116.017 249.036 -43.2777 PRESSAVG: 1389200 -23.6235 53.6902 31.6361 53.6901 7.30869 -9.92818 31.636 -9.92818 -4.88805 GPRESSAVG: 1389200 -24.2546 56.3433 32.3723 53.0881 7.25644 -10.9785 30.743 -7.58728 -4.17138 TIMING: 1389200 CPU: 4026.64, 0.00290722/step Wall: 4026.64, 0.00290722/step, 2.91594 hours remaining, 210.996094 MB of memory in use. ENERGY: 1389200 728.5585 2092.5683 1943.0030 125.9106 -205927.0795 17582.7349 0.0000 0.0000 34263.8532 -149190.4510 299.2348 -183454.3042 -149100.3315 299.2592 -4.6044 30.6515 557446.4185 -7.0676 -7.0565 PRESSURE: 1389400 -101.785 -25.9613 -93.4528 -25.9618 -115.938 101.133 -93.4532 101.133 -103.399 GPRESSURE: 1389400 -109.512 -36.3101 -97.85 -56.8965 -19.4254 69.3096 -194.359 96.8372 -107.662 PRESSAVG: 1389400 -71.2577 -28.8874 52.076 -28.8874 51.9344 37.2971 52.0759 37.2971 -4.98483 GPRESSAVG: 1389400 -72.1801 -31.7915 51.9604 -27.1227 51.7817 36.2611 54.3853 36.4595 -4.18036 TIMING: 1389400 CPU: 4027.23, 0.00293192/step Wall: 4027.23, 0.00293192/step, 2.94055 hours remaining, 210.996094 MB of memory in use. ENERGY: 1389400 747.0000 2096.2297 1906.8128 101.9101 -205847.1113 17599.0878 0.0000 0.0000 34420.0564 -148976.0145 300.5989 -183396.0709 -148877.7017 299.5252 -107.0410 -78.8663 557323.7688 -8.1027 -8.1929 PRESSURE: 1389600 -39.5613 -33.1888 -76.8114 -33.188 -193.609 97.5467 -76.8113 97.5464 -281.411 GPRESSURE: 1389600 -10.2314 -59.6716 -89.5573 59.2144 -113.605 145.866 -44.3384 143.112 -284.203 PRESSAVG: 1389600 -47.4868 43.538 -30.6265 43.538 120.25 20.9051 -30.6265 20.905 -81.2547 GPRESSAVG: 1389600 -47.1966 42.9766 -30.6012 44.4653 119.855 23.2332 -30.8803 21.8605 -81.0888 TIMING: 1389600 CPU: 4027.81, 0.00292476/step Wall: 4027.81, 0.00292476/step, 2.93321 hours remaining, 211.183594 MB of memory in use. ENERGY: 1389600 766.6157 2061.3975 1941.8316 102.5490 -205694.4199 17373.3121 0.0000 0.0000 34398.4849 -149050.2291 300.4105 -183448.7140 -148949.2258 300.4634 -171.5269 -136.0133 556539.9858 -2.8304 -2.8103 PRESSURE: 1389800 -374.726 2.59144 33.8214 2.58986 62.0621 62.4332 33.8221 62.4325 -119.909 GPRESSURE: 1389800 -332.457 90.9141 44.671 -25.6104 107.738 22.8292 23.8642 72.7248 -103.689 PRESSAVG: 1389800 -26.624 34.5415 -15.9903 34.5415 14.0959 -4.61655 -15.9903 -4.61644 29.4323 GPRESSAVG: 1389800 -25.3026 35.421 -14.6582 32.196 13.4214 -4.51442 -19.0995 -3.4191 28.5287 TIMING: 1389800 CPU: 4028.4, 0.00292483/step Wall: 4028.4, 0.00292483/step, 2.93312 hours remaining, 211.183594 MB of memory in use. ENERGY: 1389800 759.5275 2001.0457 1945.7989 114.6877 -205853.4294 17624.0592 0.0000 0.0000 34163.7988 -149244.5116 298.3610 -183408.3104 -149147.7537 299.8702 -144.1909 -109.4693 557745.7532 5.6347 5.5492 PRESSURE: 1390000 -74.9307 96.2276 38.548 96.2277 -3.41525 3.29627 38.5474 3.29716 24.0085 GPRESSURE: 1390000 -98.6313 154.319 -38.6963 10.2827 115.976 -16.7522 0.52381 45.9178 37.1865 PRESSAVG: 1390000 -72.0346 16.3715 31.9102 16.3714 48.6636 26.944 31.9102 26.944 11.306 GPRESSAVG: 1390000 -71.8058 16.5402 31.315 17.1556 49.6868 26.7991 33.3505 27.101 10.515 TIMING: 1390000 CPU: 4028.98, 0.00291295/step Wall: 4028.98, 0.00291295/step, 2.92104 hours remaining, 211.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1390000 723.0249 2093.0176 1930.8279 113.9319 -206270.1629 17691.9655 0.0000 0.0000 34496.0790 -149221.3161 301.2628 -183717.3951 -149120.8160 299.5713 -18.1125 18.1771 556826.7076 -4.0217 -3.8680 PRESSURE: 1390200 -105.027 44.8446 104.976 44.844 -196.672 -86.4606 104.977 -86.4597 -189.869 GPRESSURE: 1390200 -43.2653 39.9202 75.1805 -99.1836 -230.572 -186.665 119.379 11.873 -108.837 PRESSAVG: 1390200 4.40351 -61.4645 15.1671 -61.4645 -13.0306 -31.1918 15.1672 -31.1918 8.16445 GPRESSAVG: 1390200 2.31979 -62.0675 14.0892 -61.9002 -12.8898 -31.6697 15.5472 -30.7172 10.0495 TIMING: 1390200 CPU: 4029.56, 0.0028878/step Wall: 4029.56, 0.0028878/step, 2.89567 hours remaining, 211.183594 MB of memory in use. ENERGY: 1390200 736.2952 2112.3737 1931.1523 113.5492 -205756.2018 17391.4974 0.0000 0.0000 34334.3449 -149136.9890 299.8504 -183471.3339 -149042.8999 299.3843 -163.8563 -127.5584 557003.5983 -0.1542 -0.1735 PRESSURE: 1390400 -4.6488 94.8168 54.9903 94.8153 -260.668 -16.9352 54.9906 -16.9363 -161.093 GPRESSURE: 1390400 68.4335 122.132 76.4688 46.5927 -221.705 24.4956 56.6923 5.58118 -169.907 PRESSAVG: 1390400 30.5424 -24.0373 29.9791 -24.0374 -6.80435 -33.9063 29.9791 -33.9066 -22.3938 GPRESSAVG: 1390400 32.374 -24.1282 31.7865 -23.4148 -7.02524 -33.7933 30.4402 -32.877 -23.0134 TIMING: 1390400 CPU: 4030.13, 0.00288532/step Wall: 4030.13, 0.00288532/step, 2.89301 hours remaining, 211.183594 MB of memory in use. ENERGY: 1390400 769.1282 2112.6859 1951.8590 117.6342 -206182.3553 17589.3301 0.0000 0.0000 34247.1348 -149394.5832 299.0887 -183641.7180 -149289.5283 300.0072 -142.1367 -107.7262 555934.9106 0.4481 0.7785 PRESSURE: 1390600 315.224 -41.6469 258.512 -41.6468 -57.174 128.254 258.512 128.255 -16.721 GPRESSURE: 1390600 342.75 -30.9668 246.397 -55.0486 -13.983 235.218 223.8 45.4483 -3.304 PRESSAVG: 1390600 43.4227 2.23597 20.4275 2.23596 -34.5245 -13.3203 20.4275 -13.3202 16.3478 GPRESSAVG: 1390600 41.7934 1.82303 17.5113 3.23476 -33.017 -13.7616 20.3546 -15.5159 15.5092 TIMING: 1390600 CPU: 4030.72, 0.00294644/step Wall: 4030.72, 0.00294644/step, 2.95414 hours remaining, 211.183594 MB of memory in use. ENERGY: 1390600 778.0709 2141.9048 1918.7177 94.3939 -206396.9525 17871.7760 0.0000 0.0000 34206.5717 -149385.5175 298.7345 -183592.0892 -149294.9710 299.4743 80.4431 108.4878 556697.3293 8.4154 8.0952 PRESSURE: 1390800 -122.563 -63.9553 -111.977 -63.9556 5.7378 6.7322 -111.977 6.73112 -38.7025 GPRESSURE: 1390800 -70.7371 -110.309 -54.6253 -73.8002 72.8411 -43.3116 -66.1187 63.387 -61.5459 PRESSAVG: 1390800 -30.3986 -55.5428 -33.5822 -55.5426 -1.15971 -4.14616 -33.5822 -4.14607 -27.2326 GPRESSAVG: 1390800 -28.7788 -53.0762 -32.8273 -57.3702 -1.70138 -4.82133 -33.4178 -2.62676 -27.8509 TIMING: 1390800 CPU: 4031.3, 0.00289962/step Wall: 4031.3, 0.00289962/step, 2.90703 hours remaining, 211.183594 MB of memory in use. ENERGY: 1390800 702.1458 2062.7810 1954.3885 106.0985 -206173.3942 17628.3980 0.0000 0.0000 34416.1021 -149303.4803 300.5644 -183719.5824 -149211.8326 299.7894 -51.8425 -19.8140 557311.6087 -19.5970 -19.4437 PRESSURE: 1391000 28.5703 -28.4555 65.1595 -28.4548 -302.19 -65.8485 65.16 -65.8484 -318.735 GPRESSURE: 1391000 17.7566 -65.9736 -24.0216 -58.1513 -212.542 -29.4804 71.4906 -139.683 -311.863 PRESSAVG: 1391000 16.9635 -83.0684 -1.16513 -83.0683 -42.9766 -9.76014 -1.16508 -9.76007 -12.7821 GPRESSAVG: 1391000 16.5982 -82.097 -0.940808 -83.6596 -43.3598 -8.28925 -1.15437 -11.4808 -11.6777 TIMING: 1391000 CPU: 4031.88, 0.00288837/step Wall: 4031.88, 0.00288837/step, 2.89559 hours remaining, 211.183594 MB of memory in use. ENERGY: 1391000 725.6708 2110.9035 1938.2185 106.0959 -205575.3323 17325.9936 0.0000 0.0000 34126.9265 -149241.5234 298.0389 -183368.4499 -149149.5707 299.1186 -197.4514 -168.8826 558119.6455 -12.9318 -12.8131 PRESSURE: 1391200 -254.096 -139.759 142.725 -139.76 -26.9007 93.6223 142.726 93.6221 -179.452 GPRESSURE: 1391200 -244.38 -109.661 170.273 -136.968 27.6323 82.6484 157.692 97.8624 -134.488 PRESSAVG: 1391200 21.2379 26.3309 0.509811 26.3309 29.5345 27.5576 0.509859 27.5576 -26.3037 GPRESSAVG: 1391200 21.1481 24.0929 1.72999 26.9782 29.1226 27.0636 0.525342 27.6036 -25.9969 TIMING: 1391200 CPU: 4032.46, 0.00288972/step Wall: 4032.46, 0.00288972/step, 2.89679 hours remaining, 211.183594 MB of memory in use. ENERGY: 1391200 757.7657 2107.2992 1928.3558 113.8664 -205839.9180 17514.0865 0.0000 0.0000 34189.0928 -149229.4515 298.5819 -183418.5443 -149130.0978 299.7082 -153.4828 -117.0787 557502.2535 8.1562 8.0913 PRESSURE: 1391400 -99.9205 57.1775 103.222 57.1776 103.231 53.4834 103.222 53.4841 -169.81 GPRESSURE: 1391400 -100.568 43.7069 26.4935 93.4336 133.167 70.2321 123.468 70.4672 -94.4543 PRESSAVG: 1391400 -7.04643 -20.732 8.71641 -20.732 32.3689 50.8097 8.71642 50.8097 -17.4441 GPRESSAVG: 1391400 -8.8726 -20.6444 7.34073 -19.5373 33.1594 51.0103 8.42883 51.2119 -16.3711 TIMING: 1391400 CPU: 4033.04, 0.00290655/step Wall: 4033.04, 0.00290655/step, 2.91349 hours remaining, 211.183594 MB of memory in use. ENERGY: 1391400 747.4039 2155.8479 1953.7054 110.7984 -206306.6988 17809.6838 0.0000 0.0000 34232.9751 -149296.2844 298.9651 -183529.2595 -149203.3838 299.7145 -55.4998 -20.6182 558718.8820 2.6261 2.6386 PRESSURE: 1391600 -299.171 125.154 -134.085 125.153 306.825 -14.5847 -134.085 -14.5846 42.1556 GPRESSURE: 1391600 -244.403 116.47 -63.4611 164.944 281.081 -30.293 -149.696 -17.5298 110.562 PRESSAVG: 1391600 -3.8845 22.358 -10.1077 22.358 55.0448 3.87702 -10.1078 3.87701 -50.8854 GPRESSAVG: 1391600 -2.07058 20.518 -9.4398 22.7738 54.6676 4.03525 -8.41416 2.4334 -51.965 TIMING: 1391600 CPU: 4033.63, 0.00292034/step Wall: 4033.63, 0.00292034/step, 2.92715 hours remaining, 211.183594 MB of memory in use. ENERGY: 1391600 738.0235 2145.9499 1936.5969 104.6951 -206105.1388 17810.3510 0.0000 0.0000 34208.9245 -149160.5979 298.7550 -183369.5224 -149060.4051 300.0072 16.6031 49.0798 557970.2405 0.0916 0.2107 PRESSURE: 1391800 -41.2005 68.8449 -73.5027 68.8456 -429.252 -12.8188 -73.5027 -12.8214 -162.901 GPRESSURE: 1391800 -41.5421 -6.76263 0.624927 106.319 -368.671 -4.17238 -119.045 22.8509 -105.046 PRESSAVG: 1391800 -7.96443 3.6899 -5.03517 3.68992 -7.54956 -42.1869 -5.03515 -42.1868 26.0886 GPRESSAVG: 1391800 -8.06773 5.5449 -2.97268 1.75191 -7.7941 -41.0879 -6.48284 -39.3606 27.118 TIMING: 1391800 CPU: 4034.21, 0.00294754/step Wall: 4034.21, 0.00294754/step, 2.95425 hours remaining, 211.183594 MB of memory in use. ENERGY: 1391800 754.4997 2077.3818 1934.7281 116.6653 -205946.4379 17472.6999 0.0000 0.0000 34341.1587 -149249.3044 299.9099 -183590.4632 -149144.8314 299.5294 -211.1179 -171.7529 557379.1015 3.5249 3.7521 PRESSURE: 1392000 -27.9177 116.088 9.50159 116.089 40.2052 -134.286 9.5028 -134.287 -252.164 GPRESSURE: 1392000 10.2897 124.315 19.7621 75.3111 108.2 -102.558 -22.623 -136.981 -261.186 PRESSAVG: 1392000 50.6714 9.98591 18.3261 9.98589 3.48722 -29.4703 18.3261 -29.4703 -38.7294 GPRESSAVG: 1392000 51.9228 9.25872 19.0352 11.4059 3.9324 -30.0887 16.3802 -31.9913 -40.3063 TIMING: 1392000 CPU: 4034.8, 0.00291538/step Wall: 4034.8, 0.00291538/step, 2.92186 hours remaining, 211.355469 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: 1392000 785.2137 2142.3862 1923.0473 108.6646 -206077.8943 17728.4450 0.0000 0.0000 34111.3948 -149278.7426 297.9033 -183390.1374 -149187.8810 298.9864 -79.9588 -47.5653 558293.6244 5.1431 5.1830 PRESSURE: 1392200 13.6282 139.178 7.33252 139.177 67.9618 -56.9143 7.33336 -56.9145 -217.18 GPRESSURE: 1392200 111.3 84.7855 35.9944 150.769 60.7103 19.2007 -36.2661 -145.264 -205.561 PRESSAVG: 1392200 -15.4222 -12.2084 -31.0588 -12.2084 33.1516 -8.98443 -31.0589 -8.98441 -63.3584 GPRESSAVG: 1392200 -16.8056 -11.653 -30.3536 -13.031 34.1901 -10.8068 -30.5893 -7.16602 -63.0505 TIMING: 1392200 CPU: 4035.38, 0.00290158/step Wall: 4035.38, 0.00290158/step, 2.90786 hours remaining, 211.355469 MB of memory in use. ENERGY: 1392200 750.3621 2091.7773 1941.4407 110.3679 -206097.2733 17771.0519 0.0000 0.0000 34165.3890 -149266.8843 298.3748 -183432.2733 -149166.3781 298.2421 -45.1967 -11.1836 557944.9748 -15.2096 -15.2220 LDB: ============= START OF LOAD BALANCING ============== 4038.77 LDB: ============== END OF LOAD BALANCING =============== 4038.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4038.77 LDB: ============= START OF LOAD BALANCING ============== 4039.06 LDB: Largest compute 4822 load 0.024677 is 20.9% of average load 0.117989 LDB: Average compute 0.001714 is 1.5% of average load 0.117989 LDB: TIME 4039.06 LOAD: AVG 0.117989 MAX 0.184098 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.371 MB LDB: TIME 4039.06 LOAD: AVG 0.117989 MAX 0.184098 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.371 MB LDB: TIME 4039.06 LOAD: AVG 0.117989 MAX 0.184098 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.371 MB LDB: ============== END OF LOAD BALANCING =============== 4039.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4039.06 PRESSURE: 1392400 -101.811 -4.99554 -88.7176 -4.99549 -132.704 -126.945 -88.7177 -126.945 -82.2484 GPRESSURE: 1392400 -43.5807 -35.4435 -165.659 -17.6396 -69.2548 -182.85 32.7455 -50.6133 -102.219 PRESSAVG: 1392400 27.0123 19.2559 15.2428 19.2558 20.4425 4.63319 15.2428 4.63318 -39.809 GPRESSAVG: 1392400 28.6216 20.8491 13.7966 18.3188 19.5802 5.66865 17.0694 5.84207 -40.7249 TIMING: 1392400 CPU: 4035.97, 0.0029567/step Wall: 4035.97, 0.0029567/step, 2.96294 hours remaining, 208.921875 MB of memory in use. ENERGY: 1392400 771.3610 2068.4007 1935.9888 104.4725 -206347.0526 17898.0783 0.0000 0.0000 34313.2647 -149255.4866 299.6663 -183568.7513 -149165.7709 299.8447 -105.5878 -71.6850 557614.4219 2.5486 2.4923 PRESSURE: 1392600 -120.413 -113.671 80.9009 -113.67 -98.9264 -161.518 80.9008 -161.517 85.2738 GPRESSURE: 1392600 -44.3236 -5.56945 -56.3966 -235.52 -55.2112 -167.73 162.755 -170.909 50.6244 PRESSAVG: 1392600 3.66237 -15.2385 -4.05628 -15.2386 43.8352 29.7287 -4.05635 29.7287 -42.7331 GPRESSAVG: 1392600 2.27384 -15.4101 -5.00956 -15.854 44.3758 29.1627 -5.21517 27.2213 -42.0165 TIMING: 1392600 CPU: 4036.55, 0.0028957/step Wall: 4036.55, 0.0028957/step, 2.90166 hours remaining, 209.125000 MB of memory in use. ENERGY: 1392600 763.4615 2088.6076 1934.6374 124.8979 -206361.5773 17703.7199 0.0000 0.0000 34218.9646 -149527.2885 298.8427 -183746.2531 -149429.9111 299.5504 -44.6885 -16.3035 556880.9151 1.5882 1.5444 PRESSURE: 1392800 -99.5217 36.2839 76.0209 36.2847 -75.0202 -80.1658 76.021 -80.1656 -20.0198 GPRESSURE: 1392800 -109.437 224.07 98.9391 -63.8067 -68.4104 -121.085 0.588531 -32.7144 70.5988 PRESSAVG: 1392800 -32.5497 -15.8421 10.8888 -15.8421 76.4002 -29.9424 10.8887 -29.9424 -11.2344 GPRESSAVG: 1392800 -32.548 -15.1607 9.19332 -15.8996 75.7961 -28.1296 12.7311 -29.4784 -10.3425 TIMING: 1392800 CPU: 4037.13, 0.00290393/step Wall: 4037.13, 0.00290393/step, 2.90974 hours remaining, 209.125000 MB of memory in use. ENERGY: 1392800 759.5145 2144.2860 1955.0454 125.6215 -205950.9844 17706.7014 0.0000 0.0000 33874.7386 -149385.0768 295.8365 -183259.8155 -149287.9731 299.0544 -64.8539 -35.7495 557606.2768 10.8720 10.9685 PRESSURE: 1393000 -14.0344 -122.773 23.426 -122.771 -77.8845 -18.0957 23.4266 -18.097 15.576 GPRESSURE: 1393000 -8.1384 -155.843 -92.8374 -141.816 -70.3768 -34.6926 107.321 -31.1367 100.574 PRESSAVG: 1393000 -48.7243 1.84441 61.9366 1.84442 11.7347 7.43106 61.9366 7.43099 27.016 GPRESSAVG: 1393000 -49.4259 0.417728 63.4599 2.77309 10.8963 5.74772 60.6202 8.10993 28.3614 TIMING: 1393000 CPU: 4037.71, 0.0029077/step Wall: 4037.71, 0.0029077/step, 2.91335 hours remaining, 209.125000 MB of memory in use. ENERGY: 1393000 758.9763 2122.7805 1944.6314 110.8886 -206314.1898 17817.5563 0.0000 0.0000 34186.8809 -149372.4758 298.5625 -183559.3567 -149279.3950 298.6815 -25.4476 7.3530 556237.8694 -3.3245 -3.3894 PRESSURE: 1393200 -35.0211 -153.499 -19.5234 -153.499 -159.038 -125.839 -19.5242 -125.837 26.7147 GPRESSURE: 1393200 -29.3057 -137.343 -45.631 -116.954 -102.763 -93.5421 -16.4733 -184.312 63.7727 PRESSAVG: 1393200 38.6791 5.85654 11.2289 5.85648 -33.8861 6.64982 11.229 6.64979 8.37787 GPRESSAVG: 1393200 39.2218 4.37767 11.0447 5.53089 -33.2304 7.32452 11.1082 5.82749 7.29632 TIMING: 1393200 CPU: 4038.29, 0.00289121/step Wall: 4038.29, 0.00289121/step, 2.89667 hours remaining, 209.125000 MB of memory in use. ENERGY: 1393200 735.4638 2099.5411 1974.8623 110.6436 -206213.5337 17690.8445 0.0000 0.0000 34302.2743 -149299.9042 299.5703 -183602.1785 -149208.2651 298.9938 -55.7815 -22.7653 557311.4443 4.3903 4.4292 PRESSURE: 1393400 19.4001 -60.8923 69.113 -60.893 -26.2697 15.6472 69.1136 15.6482 -63.414 GPRESSURE: 1393400 79.0971 -96.7299 43.5785 0.568647 -13.4625 150.819 9.50659 -36.249 -58.5183 PRESSAVG: 1393400 -3.17992 -5.57311 45.0506 -5.57314 -13.7931 -19.6723 45.0507 -19.6724 -22.4513 GPRESSAVG: 1393400 -3.11099 -6.42746 45.6261 -3.31881 -13.637 -20.4435 44.8422 -18.7208 -22.5042 TIMING: 1393400 CPU: 4038.87, 0.00290642/step Wall: 4038.87, 0.00290642/step, 2.91175 hours remaining, 209.125000 MB of memory in use. ENERGY: 1393400 718.1930 2104.3305 1916.6370 111.4407 -206344.3080 17906.3752 0.0000 0.0000 34281.6765 -149305.6551 299.3904 -183587.3316 -149198.5236 298.2781 -23.4279 2.3721 558421.6943 -13.1414 -13.0841 PRESSURE: 1393600 -63.9441 -20.4552 -31.6674 -20.455 -136.723 -149.167 -31.6666 -149.17 210.764 GPRESSURE: 1393600 16.6211 -21.9672 -78.0797 -59.2994 -100.467 -12.213 -9.36578 -167.386 202.751 PRESSAVG: 1393600 -34.1897 5.58567 -24.1555 5.58564 58.4044 19.6021 -24.1556 19.6021 -37.5728 GPRESSAVG: 1393600 -34.6855 6.3611 -22.8871 4.59376 58.5627 19.6944 -26.4778 20.0687 -37.1018 TIMING: 1393600 CPU: 4039.45, 0.00288285/step Wall: 4039.45, 0.00288285/step, 2.88797 hours remaining, 209.125000 MB of memory in use. ENERGY: 1393600 748.4666 2146.1186 1923.8575 120.4455 -206419.3394 17970.6360 0.0000 0.0000 34150.0713 -149359.7439 298.2411 -183509.8152 -149268.0704 298.3628 3.3659 39.6351 558670.7901 -4.4527 -4.4082 PRESSURE: 1393800 16.9869 203.941 -186.897 203.94 -20.9504 -148.793 -186.898 -148.792 126.893 GPRESSURE: 1393800 70.8971 192.499 -176.241 243.588 35.3368 -255.074 -87.1141 -44.1133 110.261 PRESSAVG: 1393800 8.02048 44.8387 -33.3547 44.8387 24.2971 33.083 -33.3546 33.0831 -29.8479 GPRESSAVG: 1393800 9.48875 45.5634 -32.8017 44.377 23.3662 34.3534 -31.1787 31.1154 -31.1956 TIMING: 1393800 CPU: 4040.02, 0.00287592/step Wall: 4040.02, 0.00287592/step, 2.88087 hours remaining, 209.125000 MB of memory in use. ENERGY: 1393800 762.1879 2130.8489 1962.4866 124.6049 -206564.5197 18087.0636 0.0000 0.0000 34131.4339 -149365.8938 298.0783 -183497.3278 -149266.0477 298.5991 40.9766 72.1650 558920.3564 0.8232 0.5531 PRESSURE: 1394000 250.186 -94.3396 -17.7127 -94.3403 -80.3187 -122.264 -17.7129 -122.263 -58.8863 GPRESSURE: 1394000 236.145 -23.6102 -69.1011 -110.466 -28.4737 -121.119 -43.2429 -120.621 -20.4033 PRESSAVG: 1394000 1.71185 8.01084 -22.8972 8.01081 37.009 -8.15227 -22.8972 -8.15219 -2.81924 GPRESSAVG: 1394000 1.78651 8.71354 -26.1212 6.58391 36.8173 -8.39447 -21.7568 -6.9868 -2.41506 TIMING: 1394000 CPU: 4040.6, 0.0028812/step Wall: 4040.6, 0.0028812/step, 2.886 hours remaining, 209.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1394000 734.7821 2082.0420 1934.0956 110.0459 -206527.7589 18169.9592 0.0000 0.0000 34104.9128 -149391.9212 297.8467 -183496.8340 -149290.3319 299.0223 36.9935 62.4226 559182.7878 11.9672 12.0629 PRESSURE: 1394200 -90.5198 100.506 71.913 100.506 -162.094 24.2455 71.9141 24.2456 -262.65 GPRESSURE: 1394200 -97.8664 117.768 30.4763 39.6862 -93.0661 26.7135 121.141 72.6137 -220.568 PRESSAVG: 1394200 -82.6703 4.72325 14.8534 4.72331 67.5024 1.76722 14.8534 1.76713 -6.31339 GPRESSAVG: 1394200 -83.6582 6.40159 16.1996 5.65106 68.7583 1.2221 14.7937 0.396026 -6.69221 TIMING: 1394200 CPU: 4041.18, 0.00292164/step Wall: 4041.18, 0.00292164/step, 2.92635 hours remaining, 209.125000 MB of memory in use. ENERGY: 1394200 730.8263 2073.2578 1953.4771 109.4238 -206272.2237 17809.9824 0.0000 0.0000 34331.2030 -149264.0534 299.8229 -183595.2564 -149165.8042 298.4103 -171.7546 -137.1668 560397.7316 -7.1604 -7.1974 PRESSURE: 1394400 -355.909 1.37566 77.2888 1.37566 12.7367 -97.8688 77.2886 -97.8671 -300.306 GPRESSURE: 1394400 -272.581 -31.461 67.0664 -75.2765 -49.994 -109.36 69.7828 -100.206 -219.37 PRESSAVG: 1394400 -52.7761 -16.9063 -21.6825 -16.9063 86.5022 39.5167 -21.6825 39.5167 -16.8252 GPRESSAVG: 1394400 -52.6603 -18.0479 -21.618 -17.0479 85.8405 39.4907 -21.438 39.8706 -15.5415 TIMING: 1394400 CPU: 4041.76, 0.00288459/step Wall: 4041.76, 0.00288459/step, 2.88908 hours remaining, 209.125000 MB of memory in use. ENERGY: 1394400 799.6539 2092.6216 1949.4408 110.8950 -205830.3195 17543.0356 0.0000 0.0000 34153.7188 -149180.9539 298.2729 -183334.6726 -149085.5359 299.5002 -214.4926 -180.6483 558242.1537 5.6336 5.8796 PRESSURE: 1394600 -67.1437 125.591 146.826 125.592 -352.277 60.6166 146.825 60.6177 -36.2745 GPRESSURE: 1394600 -73.0873 157.6 160.989 149.81 -296.638 70.7262 64.6014 100.805 11.6603 PRESSAVG: 1394600 -49.1655 57.1191 -2.11037 57.119 97.7876 -5.96247 -2.11045 -5.96236 3.22704 GPRESSAVG: 1394600 -48.1842 56.2963 -2.61239 57.8548 97.9178 -7.71523 -3.54272 -5.22306 1.69899 TIMING: 1394600 CPU: 4042.34, 0.00288895/step Wall: 4042.34, 0.00288895/step, 2.89329 hours remaining, 209.125000 MB of memory in use. ENERGY: 1394600 772.2839 2109.2518 1917.8138 113.8125 -206196.0957 17708.9127 0.0000 0.0000 34500.4513 -149073.5697 301.3010 -183574.0211 -148972.7235 299.6935 -151.8983 -119.3550 557348.7259 17.2831 17.1442 PRESSURE: 1394800 -104.992 99.1377 39.597 99.1376 -79.1127 -86.6087 39.5975 -86.6093 -40.3866 GPRESSURE: 1394800 -76.7586 124.668 44.861 118.035 -46.0253 -80.3566 74.5148 -55.9588 6.12557 PRESSAVG: 1394800 -32.9525 23.7101 57.1921 23.7101 27.0357 -12.4787 57.1922 -12.4786 25.4996 GPRESSAVG: 1394800 -33.3531 23.1581 56.8366 24.3941 26.521 -11.2981 57.2756 -12.1174 26.5404 TIMING: 1394800 CPU: 4042.91, 0.00288433/step Wall: 4042.91, 0.00288433/step, 2.8885 hours remaining, 209.125000 MB of memory in use. ENERGY: 1394800 739.8501 2081.7958 1922.1192 99.5715 -206027.7271 17666.6044 0.0000 0.0000 34483.0690 -149034.7172 301.1492 -183517.7862 -148938.1752 300.2262 -74.8306 -38.8861 558139.9704 6.5276 6.5694 PRESSURE: 1395000 34.5419 -154.639 70.9477 -154.639 167.364 -46.6375 70.9476 -46.6362 326.531 GPRESSURE: 1395000 59.0025 -89.119 6.22183 -208.414 182.888 0.0948449 134.715 -28.1732 381.102 PRESSAVG: 1395000 2.7177 -28.6433 -33.6367 -28.6432 22.7841 2.74861 -33.6367 2.74851 -23.1049 GPRESSAVG: 1395000 2.82512 -27.4154 -33.0014 -29.9668 23.3701 3.49804 -33.1866 2.66373 -23.2529 TIMING: 1395000 CPU: 4043.49, 0.00289213/step Wall: 4043.49, 0.00289213/step, 2.89614 hours remaining, 209.125000 MB of memory in use. ENERGY: 1395000 720.6428 2050.3843 1931.2593 112.3297 -206182.7919 18038.4313 0.0000 0.0000 34164.6742 -149165.0703 298.3686 -183329.7445 -149069.4871 299.3625 176.1458 207.6639 557814.9499 0.7990 0.9808 PRESSURE: 1395200 -58.7174 12.2425 -42.5551 12.2421 64.5698 60.6346 -42.5546 60.6353 -183.576 GPRESSURE: 1395200 -21.6344 82.7298 31.4858 -60.7634 70.4615 56.0391 -98.2262 68.0736 -127.499 PRESSAVG: 1395200 -56.4221 -48.1008 3.7283 -48.1008 53.7023 -19.9577 3.7283 -19.9577 36.8483 GPRESSAVG: 1395200 -56.6405 -49.4654 4.00103 -46.9521 53.3161 -20.9918 3.24702 -20.8637 37.8134 TIMING: 1395200 CPU: 4044.07, 0.00290178/step Wall: 4044.07, 0.00290178/step, 2.90565 hours remaining, 209.125000 MB of memory in use. ENERGY: 1395200 780.5286 2084.1407 1946.6318 119.5382 -206199.9937 17955.3183 0.0000 0.0000 34014.3914 -149299.4447 297.0561 -183313.8361 -149201.6544 298.9813 -59.2413 -26.2239 557744.7851 11.3762 11.4963 PRESSURE: 1395400 -120.193 63.6228 24.3484 63.6225 474.05 26.0045 24.3487 26.0045 178.038 GPRESSURE: 1395400 -105.641 95.3805 -59.0676 136.024 507.737 -20.4361 68.8877 22.6096 228.814 PRESSAVG: 1395400 -58.5578 7.67823 26.6178 7.67824 116.236 45.7282 26.6178 45.7281 -68.6909 GPRESSAVG: 1395400 -57.609 9.36809 26.3448 7.01148 116.059 47.1124 26.6188 45.9832 -69.7484 TIMING: 1395400 CPU: 4044.65, 0.0028905/step Wall: 4044.65, 0.0028905/step, 2.89419 hours remaining, 209.125000 MB of memory in use. ENERGY: 1395400 712.3266 2099.3387 1923.3368 112.7375 -206530.7940 18273.1526 0.0000 0.0000 34061.2798 -149348.6220 297.4656 -183409.9018 -149265.2206 298.2834 177.2985 210.3032 558705.5502 -3.6710 -3.7663 PRESSURE: 1395600 -207.801 35.5801 -266.693 35.5801 167.938 69.5919 -266.693 69.5912 -319.584 GPRESSURE: 1395600 -188.402 40.8584 -214.705 111.016 159.402 -3.39316 -256.526 36.091 -226.272 PRESSAVG: 1395600 -13.2011 -65.9557 8.72946 -65.9557 76.1375 12.4056 8.72956 12.4057 -62.8567 GPRESSAVG: 1395600 -13.0076 -66.8736 7.71321 -67.559 75.8529 11.6008 9.88301 11.6351 -63.227 TIMING: 1395600 CPU: 4045.23, 0.00289629/step Wall: 4045.23, 0.00289629/step, 2.89983 hours remaining, 209.125000 MB of memory in use. ENERGY: 1395600 716.6302 2069.4173 1928.1997 111.0580 -206070.0607 17686.2429 0.0000 0.0000 34073.3490 -149485.1636 297.5710 -183558.5125 -149393.0297 298.0548 -119.8158 -85.0908 557215.9269 0.0266 -0.1272 PRESSURE: 1395800 -46.8289 54.8708 -28.3009 54.8706 9.54069 -75.2044 -28.3004 -75.2052 -114.347 GPRESSURE: 1395800 31.8505 25.1536 -41.1464 115.943 -12.6141 -113.415 -36.9201 40.5625 -70.0324 PRESSAVG: 1395800 14.3806 9.14475 50.3109 9.14477 22.8001 5.74672 50.3111 5.74672 -24.6936 GPRESSAVG: 1395800 14.5225 10.5836 50.9205 8.92291 22.7022 4.91702 50.0805 8.53435 -24.7071 TIMING: 1395800 CPU: 4045.81, 0.00289733/step Wall: 4045.81, 0.00289733/step, 2.90071 hours remaining, 209.125000 MB of memory in use. ENERGY: 1395800 768.2484 2088.3458 1931.1152 108.7246 -206181.4436 17734.8058 0.0000 0.0000 34280.5407 -149269.6631 299.3805 -183550.2038 -149162.2174 298.3643 -50.5451 -16.9320 558302.8130 4.1624 4.1725 PRESSURE: 1396000 181.626 139.372 -24.0518 139.371 332.886 -162.511 -24.0518 -162.512 -193.89 GPRESSURE: 1396000 264.839 63.7271 -75.86 163.568 333.687 -119.03 -27.3124 -224.452 -187.549 PRESSAVG: 1396000 98.2945 -25.0203 14.904 -25.0203 -25.3834 -24.9631 14.9041 -24.963 -85.865 GPRESSAVG: 1396000 97.7934 -26.5009 14.2029 -22.8839 -26.2784 -23.5909 15.5097 -26.1496 -84.7477 TIMING: 1396000 CPU: 4046.39, 0.00290011/step Wall: 4046.39, 0.00290011/step, 2.90333 hours remaining, 209.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1396000 723.8235 2116.5686 1942.4292 111.4283 -206460.5596 18006.4617 0.0000 0.0000 34173.5349 -149386.3134 298.4460 -183559.8483 -149281.7780 298.6759 106.8738 136.9923 557199.7511 -4.3180 -4.4109 PRESSURE: 1396200 -71.8326 13.095 -59.9743 13.0945 -23.2593 -77.3764 -59.9739 -77.3779 -114.115 GPRESSURE: 1396200 -100.394 36.786 -22.7063 30.6265 11.267 -71.1232 -30.5972 -71.0699 -28.3043 PRESSAVG: 1396200 -8.13701 -10.2605 30.9661 -10.2606 38.552 -18.7645 30.9661 -18.7645 -51.7099 GPRESSAVG: 1396200 -9.66336 -9.08799 32.5514 -10.9277 40.992 -19.2527 28.6322 -18.3674 -52.2458 TIMING: 1396200 CPU: 4046.97, 0.00289555/step Wall: 4046.97, 0.00289555/step, 2.89861 hours remaining, 209.328125 MB of memory in use. ENERGY: 1396200 746.1091 2086.2041 1963.9199 118.8507 -206063.8008 17784.3092 0.0000 0.0000 34110.7593 -149253.6486 297.8977 -183364.4080 -149171.2068 298.6411 -69.7355 -39.1437 558255.8891 -7.0983 -6.9724 LDB: ============= START OF LOAD BALANCING ============== 4050.35 LDB: ============== END OF LOAD BALANCING =============== 4050.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4050.35 LDB: ============= START OF LOAD BALANCING ============== 4050.65 LDB: Largest compute 4822 load 0.025463 is 21.6% of average load 0.117974 LDB: Average compute 0.001726 is 1.5% of average load 0.117974 LDB: TIME 4050.65 LOAD: AVG 0.117974 MAX 0.185413 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.863 MB LDB: TIME 4050.65 LOAD: AVG 0.117974 MAX 0.185413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.863 MB LDB: TIME 4050.65 LOAD: AVG 0.117974 MAX 0.185413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.863 MB LDB: ============== END OF LOAD BALANCING =============== 4050.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4050.66 PRESSURE: 1396400 90.9418 -152.395 -1.22974 -152.395 142.037 0.886446 -1.22943 0.88606 99.7339 GPRESSURE: 1396400 95.4525 -86.9577 -51.2866 -175.216 171.454 26.9588 48.831 -31.6884 168.299 PRESSAVG: 1396400 5.10419 -67.2167 39.3377 -67.2167 67.6173 5.52594 39.3378 5.52591 -29.1387 GPRESSAVG: 1396400 7.55113 -67.7676 36.7457 -67.2842 66.2106 4.11933 41.5428 7.94947 -30.2144 TIMING: 1396400 CPU: 4047.56, 0.00295867/step Wall: 4047.56, 0.00295867/step, 2.96163 hours remaining, 208.851562 MB of memory in use. ENERGY: 1396400 745.1092 2067.7290 1916.8326 116.6009 -206386.7270 17918.4508 0.0000 0.0000 34075.6836 -149546.3210 297.5914 -183622.0046 -149444.9794 299.0908 110.9043 145.0683 555797.3908 14.5276 14.5158 PRESSURE: 1396600 -71.862 -133.249 -57.6897 -133.248 136.239 -8.74821 -57.6886 -8.74903 -93.3371 GPRESSURE: 1396600 -28.3521 -147.552 -23.3684 -161.122 139.201 -61.8707 -47.1477 -60.3688 -48.4802 PRESSAVG: 1396600 0.252471 -45.1023 27.1966 -45.1024 -5.8915 -6.41491 27.1965 -6.41492 -7.83904 GPRESSAVG: 1396600 -1.02014 -44.9356 27.5952 -45.895 -4.76953 -6.33463 26.8384 -9.60507 -8.3413 TIMING: 1396600 CPU: 4048.14, 0.00290252/step Wall: 4048.14, 0.00290252/step, 2.90526 hours remaining, 208.851562 MB of memory in use. ENERGY: 1396600 746.2031 2131.6497 1936.4973 115.3968 -206690.9262 17943.3830 0.0000 0.0000 34430.6697 -149387.1267 300.6916 -183817.7963 -149289.0706 298.6258 -9.6532 20.7897 555019.9301 -4.4927 -4.7103 PRESSURE: 1396800 -550.295 -164.709 -53.5109 -164.708 -250.129 81.11 -53.5104 81.1091 -54.9582 GPRESSURE: 1396800 -458.406 -156.284 -9.15025 -187.727 -233.246 77.7178 -74.2469 64.8752 -60.5889 PRESSAVG: 1396800 -63.1473 -40.0485 27.0932 -40.0486 13.8466 9.04813 27.0932 9.04802 74.25 GPRESSAVG: 1396800 -61.282 -41.4033 26.4087 -39.2582 13.2369 9.82163 28.8418 12.5391 73.1125 TIMING: 1396800 CPU: 4048.72, 0.00290682/step Wall: 4048.72, 0.00290683/step, 2.90941 hours remaining, 208.851562 MB of memory in use. ENERGY: 1396800 746.6024 2059.9466 1935.6592 102.6967 -205760.2354 17286.4346 0.0000 0.0000 34328.1888 -149300.7070 299.7966 -183628.8958 -149205.0482 298.9623 -285.1273 -250.7470 557486.6219 8.3164 8.3558 PRESSURE: 1397000 -223.414 -207.785 40.9653 -207.785 80.104 8.33212 40.9654 8.33058 160.374 GPRESSURE: 1397000 -211.081 -246.301 -37.2191 -165.437 70.0235 33.6799 112.741 23.4421 247.998 PRESSAVG: 1397000 -25.5987 -17.0856 -0.52926 -17.0856 22.8368 6.51989 -0.52936 6.51997 1.01006 GPRESSAVG: 1397000 -27.5054 -16.5539 2.25281 -18.5403 22.1896 8.08701 -2.63541 2.60967 3.43294 TIMING: 1397000 CPU: 4049.3, 0.00289881/step Wall: 4049.3, 0.00289881/step, 2.90122 hours remaining, 208.851562 MB of memory in use. ENERGY: 1397000 716.8062 2086.1679 1937.5613 112.6459 -206230.9463 17676.7767 0.0000 0.0000 34321.4841 -149379.5042 299.7381 -183700.9882 -149277.0490 299.2081 5.6880 35.6466 555709.9474 -0.5839 -0.6276 PRESSURE: 1397200 -129.87 -104.594 13.4587 -104.594 371.244 -80.0512 13.4578 -80.0531 309.425 GPRESSURE: 1397200 -62.9796 -144.776 67.5054 27.7999 388.019 -79.4087 -29.0354 -29.3967 332.278 PRESSAVG: 1397200 -73.8837 6.39376 -10.5249 6.39384 71.9382 10.8188 -10.525 10.8187 6.82643 GPRESSAVG: 1397200 -74.5806 8.15361 -11.0481 7.44542 72.0115 11.4851 -12.3701 12.5645 7.13055 TIMING: 1397200 CPU: 4049.88, 0.00289735/step Wall: 4049.88, 0.00289735/step, 2.8996 hours remaining, 208.851562 MB of memory in use. ENERGY: 1397200 752.2866 2134.1623 1951.7479 108.9025 -206370.8579 18058.1217 0.0000 0.0000 34153.0626 -149212.5743 298.2672 -183365.6369 -149115.8392 299.9414 183.5998 219.1060 556057.0412 1.6270 1.5205 PRESSURE: 1397400 26.5347 -65.0387 -139.09 -65.0398 -148.579 106.634 -139.088 106.633 -130.586 GPRESSURE: 1397400 72.7709 -48.1544 -79.4557 -105.705 -131.033 112.494 -132.426 44.7409 -103.075 PRESSAVG: 1397400 -84.2884 -18.4292 -35.0495 -18.4293 34.4261 6.76834 -35.0496 6.76837 44.9092 GPRESSAVG: 1397400 -82.7293 -17.8777 -34.8468 -19.483 33.3729 5.0675 -36.2098 5.74191 44.8796 TIMING: 1397400 CPU: 4050.46, 0.00287586/step Wall: 4050.46, 0.00287586/step, 2.87794 hours remaining, 208.851562 MB of memory in use. ENERGY: 1397400 715.3738 2083.6597 1941.2380 117.0746 -205870.8068 17575.9260 0.0000 0.0000 34229.1465 -149208.3882 298.9316 -183437.5347 -149117.3031 300.0190 -84.2099 -53.7788 557396.7991 -1.6510 -1.4923 PRESSURE: 1397600 128.299 156.73 -53.0327 156.729 -161.073 -76.7302 -53.0333 -76.7287 -217.472 GPRESSURE: 1397600 145.186 165.355 -28.7791 123.042 -151.704 -76.7576 -123.166 -18.921 -144.453 PRESSAVG: 1397600 -6.43932 -10.8229 -32.7226 -10.823 -3.57615 -39.1151 -32.7226 -39.1151 -3.4686 GPRESSAVG: 1397600 -7.49353 -12.9681 -32.8029 -10.4412 -1.82347 -37.3341 -29.4136 -39.2704 -4.1778 TIMING: 1397600 CPU: 4051.03, 0.00288172/step Wall: 4051.03, 0.00288172/step, 2.88364 hours remaining, 208.851562 MB of memory in use. ENERGY: 1397600 751.0064 2156.7071 1911.3263 107.9379 -206161.7032 17578.1073 0.0000 0.0000 34531.1812 -149125.4371 301.5694 -183656.6183 -149033.1434 299.6962 -83.4156 -50.3238 558205.8520 -4.4947 -4.4983 PRESSURE: 1397800 -56.6195 111.699 11.7101 111.7 137.851 60.9919 11.7094 60.9935 -31.678 GPRESSURE: 1397800 -50.0643 126.986 -34.171 2.07159 188.76 54.2034 12.3727 107.122 5.4393 PRESSAVG: 1397800 -27.9832 -15.6034 19.017 -15.6033 21.8406 44.8921 19.0169 44.892 43.5349 GPRESSAVG: 1397800 -27.1147 -15.1442 17.6002 -15.7774 20.1742 43.7551 19.0645 45.3078 44.0439 TIMING: 1397800 CPU: 4051.61, 0.00289254/step Wall: 4051.61, 0.00289254/step, 2.8943 hours remaining, 208.851562 MB of memory in use. ENERGY: 1397800 750.2466 2084.5460 1952.5526 118.3978 -205745.9259 17613.5476 0.0000 0.0000 34035.0566 -149191.5788 297.2366 -183226.6354 -149100.2360 298.7775 16.5180 48.0450 558221.7264 12.4641 12.3678 PRESSURE: 1398000 -66.1259 136.616 -87.1561 136.614 -21.075 211.821 -87.1556 211.823 -101.415 GPRESSURE: 1398000 -54.5607 107.036 6.72152 214.349 3.89481 206.269 -172.486 203.117 -49.7536 PRESSAVG: 1398000 -16.7092 -39.0394 22.2038 -39.0396 48.5951 49.3543 22.2039 49.3542 -6.38481 GPRESSAVG: 1398000 -18.0194 -39.7969 22.371 -38.8324 50.1328 47.1411 21.3398 50.9952 -6.60417 TIMING: 1398000 CPU: 4052.19, 0.00288104/step Wall: 4052.19, 0.00288104/step, 2.88265 hours remaining, 208.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1398000 737.7903 2092.9864 1924.0274 103.5202 -205732.8393 17467.1566 0.0000 0.0000 34224.2971 -149183.0611 298.8893 -183407.3583 -149084.6930 298.7187 -62.8720 -33.4731 556941.3576 8.5003 8.5031 PRESSURE: 1398200 -158.153 -28.3369 -18.8674 -28.3367 -385.19 -45.2474 -18.869 -45.2469 -337.46 GPRESSURE: 1398200 -105.629 -68.209 -42.7644 -19.5701 -325.603 -27.6973 17.7763 -2.24999 -345.466 PRESSAVG: 1398200 42.8505 -0.239826 -6.76661 -0.239848 8.63382 -4.1443 -6.76664 -4.1442 -54.5513 GPRESSAVG: 1398200 43.7089 1.0247 -5.30413 -1.96612 8.10617 0.194165 -7.70071 -6.40732 -54.5995 TIMING: 1398200 CPU: 4052.77, 0.00291564/step Wall: 4052.77, 0.00291564/step, 2.91709 hours remaining, 208.851562 MB of memory in use. ENERGY: 1398200 775.4474 2060.6238 1936.1887 101.7171 -205744.7731 17660.4567 0.0000 0.0000 34040.5385 -149169.8008 297.2845 -183210.3394 -149077.0021 298.8871 -293.6011 -258.8993 559296.0129 -1.0223 -0.9282 PRESSURE: 1398400 -13.3522 -16.4024 97.9517 -16.402 -92.6863 -62.4543 97.9506 -62.4534 -62.3918 GPRESSURE: 1398400 61.8513 -157.634 39.3255 28.7027 -93.6234 -128.232 17.3301 -96.9655 -33.4234 PRESSAVG: 1398400 46.1635 3.06087 -20.0598 3.06093 -16.8055 16.9382 -20.0597 16.9382 -15.1846 GPRESSAVG: 1398400 46.6027 0.778072 -22.5086 4.71664 -16.6311 14.0497 -19.1669 18.3802 -16.1556 TIMING: 1398400 CPU: 4053.35, 0.00288392/step Wall: 4053.35, 0.00288392/step, 2.8852 hours remaining, 208.851562 MB of memory in use. ENERGY: 1398400 729.0911 2184.2438 1939.8088 100.2800 -206018.5602 17558.8533 0.0000 0.0000 34412.0870 -149094.1963 300.5293 -183506.2833 -149005.1484 300.0067 -56.1434 -21.7318 557595.5741 4.7245 4.6054 PRESSURE: 1398600 18.0715 -5.51814 146.582 -5.51943 -47.6006 -98.5999 146.582 -98.6004 -64.8324 GPRESSURE: 1398600 66.7514 -49.5455 111.899 -30.6834 2.11612 -47.6974 82.6091 -187.235 -59.6049 PRESSAVG: 1398600 15.5629 -16.1214 -29.4703 -16.1213 30.7335 -35.0901 -29.4704 -35.0901 -76.413 GPRESSAVG: 1398600 15.194 -14.4837 -26.0607 -15.8915 29.8169 -33.5305 -29.6695 -36.8174 -75.7117 TIMING: 1398600 CPU: 4053.93, 0.0028858/step Wall: 4053.93, 0.0028858/step, 2.88692 hours remaining, 208.851562 MB of memory in use. ENERGY: 1398600 755.3099 2110.7594 1933.0903 115.2648 -206187.4016 17885.4928 0.0000 0.0000 34448.1993 -148939.2851 300.8447 -183387.4844 -148845.1352 299.9299 -31.4538 3.0876 558804.0030 -10.0389 -10.2336 PRESSURE: 1398800 -8.98276 -48.0292 55.5929 -48.0298 23.1777 -87.9602 55.5935 -87.9593 154.96 GPRESSURE: 1398800 49.7215 -102.903 40.2136 57.2613 60.0551 -35.1305 19.5237 -156.369 148.865 PRESSAVG: 1398800 -25.1565 10.1015 -39.8671 10.1014 54.4438 -27.8555 -39.8671 -27.8556 -15.9299 GPRESSAVG: 1398800 -25.8455 12.842 -40.7029 8.10578 55.0049 -27.1112 -39.3999 -27.3623 -15.7144 TIMING: 1398800 CPU: 4054.5, 0.00289653/step Wall: 4054.5, 0.00289653/step, 2.8975 hours remaining, 208.851562 MB of memory in use. ENERGY: 1398800 757.7434 2107.1819 1952.4299 100.2799 -206248.7980 17931.4342 0.0000 0.0000 34323.8354 -149075.8934 299.7586 -183399.7288 -148982.5806 300.3472 56.3850 86.2140 557937.3153 4.4525 4.4816 PRESSURE: 1399000 -253.265 32.8884 -76.9474 32.8881 -110.498 20.0326 -76.9471 20.0323 95.3409 GPRESSURE: 1399000 -146.547 23.5811 -29.8355 15.1402 -63.3003 15.1658 -4.98388 21.4818 59.106 PRESSAVG: 1399000 -14.9793 15.0922 48.5266 15.0921 -6.74853 43.182 48.5266 43.182 31.0752 GPRESSAVG: 1399000 -15.8559 13.0027 49.7235 15.6052 -7.19499 42.6323 47.3116 44.2247 31.7043 TIMING: 1399000 CPU: 4055.08, 0.00290079/step Wall: 4055.08, 0.00290079/step, 2.90159 hours remaining, 208.851562 MB of memory in use. ENERGY: 1399000 732.0814 2146.6602 1940.4326 122.5312 -206428.4939 17847.8983 0.0000 0.0000 34535.7724 -149103.1178 301.6095 -183638.8902 -149009.6358 299.4585 -89.4740 -50.2472 557608.2371 3.1158 2.8844 PRESSURE: 1399200 126.268 -45.7742 72.0311 -45.7748 190.823 -70.4619 72.0319 -70.4626 26.2922 GPRESSURE: 1399200 214.077 29.7674 66.3213 4.17121 163.454 -77.4961 82.5318 -139.322 68.9481 PRESSAVG: 1399200 0.45134 5.58211 -40.115 5.58212 31.6113 2.68028 -40.1149 2.68034 -29.1846 GPRESSAVG: 1399200 1.27976 5.2701 -40.7571 7.14874 31.9041 0.286144 -40.1315 4.49689 -30.4264 TIMING: 1399200 CPU: 4055.67, 0.00291411/step Wall: 4055.67, 0.00291411/step, 2.91476 hours remaining, 208.851562 MB of memory in use. ENERGY: 1399200 760.5649 2077.7598 1941.3173 105.5610 -206252.5030 17908.2225 0.0000 0.0000 34230.3013 -149228.7763 298.9417 -183459.0776 -149131.8841 299.4990 114.4609 148.8263 556739.0516 0.9593 0.9192 PRESSURE: 1399400 -277.092 67.7548 -11.0647 67.7551 -149.438 38.8359 -11.0656 38.8367 -238.986 GPRESSURE: 1399400 -295.448 61.0552 -30.0301 29.1428 -73.5027 -5.49008 -46.1654 122.066 -197.473 PRESSAVG: 1399400 12.2443 -57.1347 6.24515 -57.1348 -46.0638 -23.739 6.24517 -23.739 1.70899 GPRESSAVG: 1399400 11.9778 -55.4137 4.63384 -58.6844 -45.2336 -22.1096 5.057 -27.9853 1.47439 TIMING: 1399400 CPU: 4056.25, 0.00289353/step Wall: 4056.25, 0.00289353/step, 2.89401 hours remaining, 208.851562 MB of memory in use. ENERGY: 1399400 761.1246 2170.3829 1935.9350 109.5369 -205882.4035 17423.2727 0.0000 0.0000 34377.3361 -149104.8153 300.2258 -183482.1514 -149007.8735 299.0117 -221.8387 -188.8082 557644.9047 -10.7035 -10.5938 PRESSURE: 1399600 -159.663 13.6886 -57.3567 13.69 -109.383 1.05211 -57.3566 1.05225 -695.887 GPRESSURE: 1399600 -82.5224 15.1619 -141.897 -47.0792 -97.9587 44.5397 40.6322 -34.1033 -676.927 PRESSAVG: 1399600 11.5969 4.65046 -19.9424 4.65039 -17.1131 7.7776 -19.9424 7.77748 -25.7027 GPRESSAVG: 1399600 11.7562 2.67827 -18.2025 5.99959 -18.187 7.03285 -18.0209 10.9916 -25.0785 TIMING: 1399600 CPU: 4056.83, 0.00294242/step Wall: 4056.83, 0.00294242/step, 2.94275 hours remaining, 208.851562 MB of memory in use. ENERGY: 1399600 785.9915 2151.7040 1935.3074 99.7586 -205716.6795 17270.3056 0.0000 0.0000 34240.9783 -149232.6341 299.0350 -183473.6124 -149134.8639 299.9452 -321.6444 -285.8028 558381.5001 -10.4063 -10.5031 PRESSURE: 1399800 174.946 58.9882 106.746 58.9885 -24.7701 -101.869 106.746 -101.869 293.542 GPRESSURE: 1399800 233.673 109.222 35.5096 10.4271 22.9538 -126.989 38.7379 -134.233 300.246 PRESSAVG: 1399800 -9.47958 -6.49336 -16.9942 -6.49336 9.76226 -16.1624 -16.9941 -16.1624 -1.98983 GPRESSAVG: 1399800 -8.98284 -4.60117 -17.6386 -6.3409 9.57619 -15.6557 -17.7273 -16.7556 -2.22747 TIMING: 1399800 CPU: 4057.42, 0.00291852/step Wall: 4057.42, 0.00291852/step, 2.91869 hours remaining, 208.851562 MB of memory in use. ENERGY: 1399800 759.4210 2158.7542 1923.8449 118.8377 -206408.9530 17995.2082 0.0000 0.0000 34348.0971 -149104.7899 299.9705 -183452.8870 -149009.0436 300.2065 147.9062 185.6243 557577.3883 -0.5691 -0.5447 PRESSURE: 1400000 181.414 190.297 50.5136 190.297 -179.15 9.35989 50.5143 9.35952 -151.074 GPRESSURE: 1400000 176.823 167.699 81.6111 158.257 -172.9 -0.354194 14.3336 27.3042 -59.8172 PRESSAVG: 1400000 -32.545 8.44128 1.22826 8.44137 -32.7512 21.3377 1.22834 21.3377 23.1186 GPRESSAVG: 1400000 -32.1658 8.98006 1.56093 6.69262 -32.9854 21.8893 2.60249 21.6164 22.7628 TIMING: 1400000 CPU: 4058, 0.0029018/step Wall: 4058, 0.0029018/step, 2.9018 hours remaining, 208.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1400000 769.7228 2066.1105 1934.3014 105.5728 -206051.8924 17761.9281 0.0000 0.0000 34302.3901 -149111.8667 299.5713 -183414.2568 -149009.2570 299.6431 -49.6033 -18.6315 556833.3851 -14.0592 -14.1295 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400200 -182.001 4.66773 -100.442 4.66757 -214.032 178.5 -100.442 178.5 54.35 GPRESSURE: 1400200 -50.5663 -37.471 -62.8687 -34.4308 -177.51 84.9542 -62.2264 205.213 -20.4001 PRESSAVG: 1400200 37.7125 12.5292 11.592 12.5292 -53.894 -2.01353 11.592 -2.01354 22.7588 GPRESSAVG: 1400200 37.8782 11.9616 11.4092 13.8649 -52.6275 -2.91477 11.0191 -2.26369 21.7478 TIMING: 1400200 CPU: 4058.71, 0.0035698/step Wall: 4058.71, 0.0035698/step, 3.5696 hours remaining, 209.144531 MB of memory in use. ENERGY: 1400200 739.2150 2071.5423 1939.4803 113.3213 -205972.2116 17597.9186 0.0000 0.0000 34397.8588 -149112.8753 300.4051 -183510.7341 -149013.7502 299.4926 -113.8943 -82.8253 558050.4911 2.1924 2.3329 LDB: ============= START OF LOAD BALANCING ============== 4062.1 LDB: ============== END OF LOAD BALANCING =============== 4062.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4062.1 LDB: ============= START OF LOAD BALANCING ============== 4062.4 LDB: Largest compute 4822 load 0.023683 is 20.1% of average load 0.117963 LDB: Average compute 0.001728 is 1.5% of average load 0.117963 LDB: TIME 4062.4 LOAD: AVG 0.117963 MAX 0.183797 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.656 MB LDB: TIME 4062.4 LOAD: AVG 0.117963 MAX 0.183797 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.859 MB LDB: TIME 4062.4 LOAD: AVG 0.117963 MAX 0.183797 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4062.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4062.41 PRESSURE: 1400400 -83.6685 85.8932 196.475 85.8938 -44.1086 -53.4868 196.475 -53.4874 -267.558 GPRESSURE: 1400400 -37.585 125.627 174.25 5.66552 14.9004 -103.173 160.556 -46.5989 -271.632 PRESSAVG: 1400400 -32.4549 -39.3395 8.65592 -39.3396 -1.0672 -12.8319 8.6559 -12.8318 41.982 GPRESSAVG: 1400400 -32.7053 -40.5928 9.79473 -39.9587 -2.02807 -12.975 8.01194 -12.5964 43.4948 TIMING: 1400400 CPU: 4059.31, 0.0029859/step Wall: 4059.31, 0.0029859/step, 2.98557 hours remaining, 208.007812 MB of memory in use. ENERGY: 1400400 782.2030 2120.3134 1934.8533 117.8393 -206269.0864 17859.6424 0.0000 0.0000 34186.9957 -149267.2393 298.5635 -183454.2350 -149171.0244 299.5793 -131.7784 -98.1054 558118.2421 2.8200 2.9205 PRESSURE: 1400600 -167.936 77.6147 -11.2942 77.6149 37.2836 137.641 -11.2942 137.64 -241.959 GPRESSURE: 1400600 -117.375 125.707 -8.886 140.404 32.4664 148.523 114.938 193.721 -184.232 PRESSAVG: 1400600 -9.23042 -1.43314 21.313 -1.43315 -29.9536 74.2731 21.3131 74.2731 81.4017 GPRESSAVG: 1400600 -8.9528 -1.65593 20.6571 -0.0208921 -30.0259 74.4406 21.6026 73.0315 80.9592 TIMING: 1400600 CPU: 4059.89, 0.00289736/step Wall: 4059.89, 0.00289736/step, 2.89687 hours remaining, 208.007812 MB of memory in use. ENERGY: 1400600 730.6516 2105.9368 1939.2513 125.2695 -205673.8676 17500.9780 0.0000 0.0000 34058.0861 -149213.6943 297.4377 -183271.7804 -149123.9800 299.1526 -124.2038 -89.7135 557325.7532 14.0726 13.9935 PRESSURE: 1400800 6.0634 -67.2362 189.45 -67.2353 -209.782 75.3388 189.45 75.3382 107.362 GPRESSURE: 1400800 -11.531 -70.3199 201.787 -141.443 -119.289 76.7071 212.931 107.111 136.341 PRESSAVG: 1400800 33.4951 -31.4155 25.8673 -31.4155 25.3906 12.6171 25.8672 12.6172 -17.7101 GPRESSAVG: 1400800 32.2918 -29.9843 26.1641 -31.7526 26.2744 14.1177 27.7125 13.2224 -16.4828 TIMING: 1400800 CPU: 4060.47, 0.00289782/step Wall: 4060.47, 0.00289783/step, 2.89718 hours remaining, 208.007812 MB of memory in use. ENERGY: 1400800 733.6776 2052.9283 1952.6219 126.8650 -206284.1667 17832.8352 0.0000 0.0000 34358.4889 -149226.7498 300.0612 -183585.2387 -149125.5722 299.0534 -32.1188 1.8400 557356.3717 13.7252 14.0278 PRESSURE: 1401000 -175.202 -119.711 -29.8569 -119.71 -14.2853 167.497 -29.8565 167.496 -107.495 GPRESSURE: 1401000 -185.299 -102.04 67.2899 -96.5011 38.5301 169.953 -25.6792 112.496 -63.4623 PRESSAVG: 1401000 -68.208 -28.3887 42.0629 -28.3887 100.772 9.26472 42.0629 9.26461 -29.5509 GPRESSAVG: 1401000 -68.3916 -28.3749 41.4514 -26.2279 101.76 7.39304 40.4588 9.45554 -30.7422 TIMING: 1401000 CPU: 4061.05, 0.00291988/step Wall: 4061.05, 0.00291988/step, 2.91907 hours remaining, 208.007812 MB of memory in use. ENERGY: 1401000 764.8330 2107.8508 1920.1270 114.6839 -206656.7564 17962.2596 0.0000 0.0000 34536.6197 -149250.3825 301.6169 -183787.0022 -149154.3876 299.4796 -98.9939 -70.0772 557650.2507 1.0045 0.8755 PRESSURE: 1401200 -118.792 88.9419 28.4142 88.9433 7.11089 30.816 28.415 30.8158 -50.2301 GPRESSURE: 1401200 -54.3132 71.5478 -42.0768 137.953 38.5963 -15.8909 43.1561 -16.3084 -54.4975 PRESSAVG: 1401200 39.8864 -4.19485 -4.40398 -4.19477 -2.30939 17.8358 -4.40406 17.8359 -22.6437 GPRESSAVG: 1401200 40.8856 -6.32589 -4.52519 -4.58958 -3.7632 18.391 -4.60389 16.8069 -21.879 TIMING: 1401200 CPU: 4061.63, 0.00290024/step Wall: 4061.63, 0.00290024/step, 2.89927 hours remaining, 208.007812 MB of memory in use. ENERGY: 1401200 707.2772 2157.1248 1917.1750 124.9019 -206047.9101 17647.9017 0.0000 0.0000 34229.5202 -149264.0093 298.9349 -183493.5295 -149166.0745 299.4369 -53.9705 -23.4048 557463.0755 4.9778 5.0811 PRESSURE: 1401400 47.3045 23.7878 -143.013 23.7876 -78.9604 -34.0204 -143.012 -34.0206 277.015 GPRESSURE: 1401400 64.4199 -96.6006 -158.578 116.439 -16.077 -53.3045 -133.6 -76.1749 301.018 PRESSAVG: 1401400 51.0068 -11.6247 -22.5711 -11.6248 -30.323 25.2399 -22.5712 25.2399 -51.8297 GPRESSAVG: 1401400 49.9678 -9.04809 -21.2962 -13.1052 -29.2251 25.1527 -21.6189 25.5741 -51.7837 TIMING: 1401400 CPU: 4062.21, 0.00290518/step Wall: 4062.21, 0.00290518/step, 2.90405 hours remaining, 208.007812 MB of memory in use. ENERGY: 1401400 737.5254 2078.0865 1910.2457 111.4778 -206547.2505 18033.1673 0.0000 0.0000 34428.2339 -149248.5138 300.6703 -183676.7477 -149146.7474 299.7725 81.7864 116.4537 556415.3357 -10.3820 -10.3470 PRESSURE: 1401600 -119.271 -79.8397 188.802 -79.8398 -96.9068 63.778 188.801 63.7785 -154.161 GPRESSURE: 1401600 -114.118 -25.1999 135.227 -111.262 -55.1267 40.6362 163.547 85.8324 -110.473 PRESSAVG: 1401600 -38.6718 -37.2052 -0.266573 -37.2051 34.6519 -36.1891 -0.266561 -36.1891 -4.73936 GPRESSAVG: 1401600 -38.1269 -37.2857 0.119112 -37.8563 34.7553 -34.0952 -1.67508 -36.8106 -5.29125 TIMING: 1401600 CPU: 4062.79, 0.00290512/step Wall: 4062.79, 0.00290512/step, 2.90383 hours remaining, 208.007812 MB of memory in use. ENERGY: 1401600 737.1285 2126.6365 1932.6070 127.5554 -206006.7365 17624.4700 0.0000 0.0000 34200.2981 -149258.0409 298.6797 -183458.3390 -149166.2387 299.7946 -123.4464 -93.2392 557688.6967 -2.9197 -2.8876 PRESSURE: 1401800 -90.8243 23.1059 54.6437 23.105 -138.668 -30.2741 54.644 -30.275 208.033 GPRESSURE: 1401800 -95.9377 -29.6412 133.736 10.9894 -108.226 -182.55 9.68219 20.0636 277.952 PRESSAVG: 1401800 -96.456 30.504 -2.39386 30.5039 21.0902 9.31189 -2.39384 9.31192 67.3301 GPRESSAVG: 1401800 -95.9932 29.6436 -4.7147 30.8355 20.8642 8.64257 -0.636922 7.87702 67.05 TIMING: 1401800 CPU: 4063.38, 0.00291619/step Wall: 4063.38, 0.00291619/step, 2.91473 hours remaining, 208.007812 MB of memory in use. ENERGY: 1401800 754.9103 2078.1393 1920.8770 119.2226 -206308.9604 17717.9017 0.0000 0.0000 34350.4571 -149367.4523 299.9911 -183717.9094 -149277.8435 299.3750 -7.1532 24.5961 555396.2396 -2.6786 -2.6930 PRESSURE: 1402000 -98.053 -20.5154 88.8335 -20.5147 226.603 -50.8376 88.8341 -50.8399 -0.7546 GPRESSURE: 1402000 -69.015 -105.92 146.943 63.4224 257.47 -103.962 90.0086 -57.8217 48.4715 PRESSAVG: 1402000 -87.6867 53.7616 56.5395 53.7617 15.2066 -3.92256 56.5396 -3.92252 89.569 GPRESSAVG: 1402000 -88.7803 52.3071 58.9537 53.8004 15.9767 -4.28411 54.3481 -3.88925 89.9775 TIMING: 1402000 CPU: 4063.96, 0.00291618/step Wall: 4063.96, 0.00291618/step, 2.91456 hours remaining, 208.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1402000 717.9075 2067.8950 1931.9674 114.1284 -206120.3277 17655.4890 0.0000 0.0000 34162.1189 -149470.8215 298.3463 -183632.9404 -149373.0805 298.3204 42.5986 78.9754 557070.2643 5.6963 5.7246 PRESSURE: 1402200 -129.38 -27.5362 35.6863 -27.5373 -242.024 -1.6565 35.6868 -1.65519 -223.756 GPRESSURE: 1402200 -161.54 62.6605 49.2336 -27.8653 -217.091 -43.536 56.5986 74.9488 -116.887 PRESSAVG: 1402200 -5.43615 60.7938 18.8032 60.7938 46.7887 8.41626 18.8032 8.41635 -66.2997 GPRESSAVG: 1402200 -5.42966 62.948 16.6915 60.5433 45.4332 8.12099 22.5259 9.95481 -64.8942 TIMING: 1402200 CPU: 4064.54, 0.00290018/step Wall: 4064.54, 0.00290018/step, 2.89841 hours remaining, 208.007812 MB of memory in use. ENERGY: 1402200 757.4900 2132.2240 1928.5764 115.8626 -206191.1038 17662.9219 0.0000 0.0000 34241.1287 -149352.9002 299.0363 -183594.0290 -149258.1257 299.4820 -198.3867 -165.1728 559029.2394 -8.3157 -8.2969 PRESSURE: 1402400 -59.7092 26.1101 -58.0068 26.1094 254.196 129.158 -58.0073 129.158 68.7048 GPRESSURE: 1402400 -15.1129 42.8162 -136.524 -14.2916 262.543 45.9854 -86.283 144.653 109.349 PRESSAVG: 1402400 -60.5555 -2.6894 -19.2935 -2.68946 -13.9725 2.39535 -19.2934 2.39546 88.5441 GPRESSAVG: 1402400 -60.8235 -1.14595 -19.4194 -1.66079 -12.4829 0.665054 -20.1701 3.42098 87.5244 TIMING: 1402400 CPU: 4065.12, 0.00289839/step Wall: 4065.12, 0.00289839/step, 2.89646 hours remaining, 208.007812 MB of memory in use. ENERGY: 1402400 734.4988 2124.8344 1930.5654 115.2344 -206535.2221 17991.5517 0.0000 0.0000 34315.2882 -149323.2492 299.6839 -183638.5373 -149236.6191 298.9565 87.7305 118.9264 557858.9684 4.6720 4.7393 PRESSURE: 1402600 114.709 -62.0538 144.096 -62.0532 -91.4739 65.0004 144.096 65.0022 -296.207 GPRESSURE: 1402600 162.022 -21.3076 132.103 -27.1702 -73.6946 -18.0982 172.879 80.1784 -256.994 PRESSAVG: 1402600 0.889546 30.6348 -12.6019 30.6347 35.3766 32.738 -12.6018 32.738 -47.5699 GPRESSAVG: 1402600 1.0146 29.2824 -12.2037 28.5896 35.0592 33.3284 -12.9617 31.3926 -47.8535 TIMING: 1402600 CPU: 4065.7, 0.00290928/step Wall: 4065.7, 0.00290928/step, 2.90718 hours remaining, 208.007812 MB of memory in use. ENERGY: 1402600 755.7196 2156.0836 1921.8331 118.2092 -206442.4278 17890.9087 0.0000 0.0000 34311.2334 -149288.4402 299.6485 -183599.6736 -149187.1921 299.7261 -90.9905 -56.2221 557857.4494 -3.7679 -3.9266 PRESSURE: 1402800 24.2917 -23.7394 -13.2093 -23.7403 -112.619 -41.6708 -13.209 -41.6686 -51.7007 GPRESSURE: 1402800 26.8443 76.1669 -39.3381 -55.1024 -28.406 26.0464 30.8615 67.6701 -40.2075 PRESSAVG: 1402800 -3.42434 15.6352 17.751 15.6352 -53.1521 50.0988 17.7509 50.0988 53.6952 GPRESSAVG: 1402800 -3.98426 15.8282 18.1851 17.5268 -54.069 49.7899 15.6566 51.449 55.2395 TIMING: 1402800 CPU: 4066.29, 0.0029219/step Wall: 4066.29, 0.0029219/step, 2.91963 hours remaining, 208.007812 MB of memory in use. ENERGY: 1402800 789.4183 2095.1230 1952.7879 108.4355 -206435.1717 17808.9426 0.0000 0.0000 34405.4944 -149274.9700 300.4717 -183680.4644 -149179.3380 299.2203 -46.6760 -13.9230 557852.9835 -0.9604 -0.9379 PRESSURE: 1403000 29.714 -123.712 72.6158 -123.713 64.6178 39.4293 72.6164 39.4307 -82.4265 GPRESSURE: 1403000 77.9252 -149.976 57.8248 -154.681 100.933 -47.9415 34.5137 19.3565 -73.346 PRESSAVG: 1403000 2.51031 -44.1642 -10.219 -44.1641 -6.55912 35.6438 -10.219 35.6436 11.3775 GPRESSAVG: 1403000 3.14616 -44.9374 -8.43485 -44.4885 -5.70572 37.2432 -9.04623 34.362 9.62642 TIMING: 1403000 CPU: 4066.87, 0.00292571/step Wall: 4066.87, 0.00292571/step, 2.92327 hours remaining, 208.007812 MB of memory in use. ENERGY: 1403000 773.4540 2124.0508 1956.1158 118.1393 -206823.3281 18050.0934 0.0000 0.0000 34285.4065 -149516.0682 299.4230 -183801.4747 -149415.9852 299.2592 3.9684 35.1708 555898.1570 2.4429 2.3556 PRESSURE: 1403200 -110.108 22.9091 134.814 22.9103 -264.008 -8.12695 134.814 -8.12598 -192.346 GPRESSURE: 1403200 -42.0765 14.0861 65.0856 17.2541 -229.424 -42.8963 215.197 -59.1394 -196.135 PRESSAVG: 1403200 1.56251 -29.3794 30.3207 -29.3794 15.3924 21.999 30.3208 21.9991 -55.7473 GPRESSAVG: 1403200 2.54589 -29.8303 28.0685 -27.6226 15.1233 22.8793 32.4558 20.6098 -56.3732 TIMING: 1403200 CPU: 4067.45, 0.0029092/step Wall: 4067.45, 0.0029092/step, 2.90661 hours remaining, 208.007812 MB of memory in use. ENERGY: 1403200 725.8980 2075.8026 1953.5603 126.6417 -205833.6461 17509.2281 0.0000 0.0000 34072.9960 -149369.5193 297.5679 -183442.5154 -149280.1871 298.7211 -188.8206 -155.8785 557482.8141 -12.9308 -12.9014 PRESSURE: 1403400 11.3198 -156.67 -62.093 -156.67 312.121 130.674 -62.0919 130.675 -73.6412 GPRESSURE: 1403400 34.8278 -55.9586 -79.1673 -162.62 338.444 42.8507 -16.2989 118.33 -28.5406 PRESSAVG: 1403400 44.8429 -0.984562 -3.169 -0.984604 32.1183 39.6319 -3.16895 39.632 -30.2902 GPRESSAVG: 1403400 44.2779 -0.838633 -2.61888 -2.94031 31.7648 37.6727 -6.31663 41.0188 -29.3781 TIMING: 1403400 CPU: 4068.03, 0.00290236/step Wall: 4068.03, 0.00290236/step, 2.89962 hours remaining, 208.007812 MB of memory in use. ENERGY: 1403400 733.8159 2090.0105 1946.1409 112.7642 -206471.1877 17929.9280 0.0000 0.0000 34163.3877 -149495.1404 298.3574 -183658.5282 -149401.7680 298.5375 83.2667 114.9105 556340.9649 15.5570 15.5548 PRESSURE: 1403600 -201.363 -12.4013 8.38212 -12.4011 -200.707 -50.3466 8.38157 -50.3458 -193.797 GPRESSURE: 1403600 -140.083 11.948 -70.0136 29.6093 -134.825 -15.4368 43.4595 -77.6209 -232.189 PRESSAVG: 1403600 -46.1571 47.2323 -30.3407 47.2323 48.379 -10.3667 -30.3406 -10.3668 -23.2023 GPRESSAVG: 1403600 -46.9681 45.7278 -29.2476 49.6616 49.734 -10.1411 -29.2055 -9.71989 -23.8417 TIMING: 1403600 CPU: 4068.62, 0.00292607/step Wall: 4068.62, 0.00292607/step, 2.92314 hours remaining, 208.007812 MB of memory in use. ENERGY: 1403600 737.2583 2114.0007 1939.0466 112.4502 -205899.8234 17464.1004 0.0000 0.0000 34287.9146 -149245.0526 299.4449 -183532.9672 -149142.2300 298.8665 -198.6221 -169.0324 558724.0864 -6.9935 -7.0252 PRESSURE: 1403800 -49.4686 2.6272 -189.168 2.62815 435.392 153.389 -189.168 153.389 40.6628 GPRESSURE: 1403800 -1.15744 85.0573 -271.947 28.0518 452.339 153.208 -98.2591 98.6726 58.8945 PRESSAVG: 1403800 16.902 -34.1058 16.6442 -34.1058 40.1619 -17.1899 16.6441 -17.1899 -51.2773 GPRESSAVG: 1403800 17.5193 -31.3778 14.1355 -37.2861 39.5016 -17.4761 18.3046 -15.9898 -51.7324 TIMING: 1403800 CPU: 4069.2, 0.00292465/step Wall: 4069.2, 0.00292465/step, 2.92156 hours remaining, 208.007812 MB of memory in use. ENERGY: 1403800 754.3557 2052.8979 1946.6727 101.1143 -206567.6984 18126.4575 0.0000 0.0000 34221.4302 -149364.7702 298.8643 -183586.2004 -149269.3100 299.1868 142.1954 170.0253 558094.9759 1.9289 1.7628 PRESSURE: 1404000 486.827 23.8739 -35.0236 23.8728 -166.312 -49.6492 -35.0248 -49.65 -167.791 GPRESSURE: 1404000 456.294 -46.729 -88.2643 0.739671 -120.878 -61.5993 -32.4695 -26.8845 -84.3142 PRESSAVG: 1404000 32.9753 -16.8753 28.8839 -16.8753 -26.4784 -36.8074 28.8838 -36.8074 -19.5649 GPRESSAVG: 1404000 33.0481 -18.4823 29.3769 -15.5858 -27.2373 -33.6405 27.2012 -39.5154 -18.5518 TIMING: 1404000 CPU: 4069.79, 0.00291731/step Wall: 4069.79, 0.00291731/step, 2.91407 hours remaining, 208.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1404000 710.0656 2116.2685 1926.4715 106.0180 -206413.7918 17823.2094 0.0000 0.0000 34233.3100 -149498.4488 298.9680 -183731.7588 -149403.7369 298.4692 50.9077 83.7005 558160.2148 -4.3560 -4.2470 PRESSURE: 1404200 -91.5942 -16.8314 -122.385 -16.8314 54.3931 79.939 -122.384 79.9396 169.986 GPRESSURE: 1404200 17.4037 103.425 -167.02 -1.38246 57.8792 198.169 -59.2256 78.8429 146.191 PRESSAVG: 1404200 37.3607 -30.4851 -27.6684 -30.4851 32.6396 27.7158 -27.6685 27.7158 -84.5016 GPRESSAVG: 1404200 37.0487 -31.233 -26.2667 -26.5885 33.5115 25.6941 -27.381 30.5613 -85.427 TIMING: 1404200 CPU: 4070.37, 0.00289921/step Wall: 4070.37, 0.00289921/step, 2.89583 hours remaining, 208.007812 MB of memory in use. ENERGY: 1404200 766.1800 2071.7967 1922.4501 104.3084 -206513.5203 17939.1435 0.0000 0.0000 34202.8787 -149506.7629 298.7022 -183709.6416 -149405.1085 298.6974 44.2618 73.8245 556768.2420 -4.8337 -4.9556 LDB: ============= START OF LOAD BALANCING ============== 4073.75 LDB: ============== END OF LOAD BALANCING =============== 4073.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4073.76 LDB: ============= START OF LOAD BALANCING ============== 4074.05 LDB: Largest compute 4801 load 0.023507 is 19.9% of average load 0.118039 LDB: Average compute 0.001722 is 1.5% of average load 0.118039 LDB: TIME 4074.05 LOAD: AVG 0.118039 MAX 0.18436 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.324 MB LDB: TIME 4074.05 LOAD: AVG 0.118039 MAX 0.18436 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: TIME 4074.05 LOAD: AVG 0.118039 MAX 0.18436 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: ============== END OF LOAD BALANCING =============== 4074.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4074.06 PRESSURE: 1404400 -138.441 3.82445 21.5865 3.82565 -78.5369 49.4751 21.5876 49.4738 -313.018 GPRESSURE: 1404400 -156.499 -36.2053 30.5191 29.7582 9.23248 75.4885 -68.8671 -18.0157 -282.425 PRESSAVG: 1404400 29.5422 -1.88231 26.016 -1.88225 -5.66572 -51.7246 26.016 -51.7246 -45.6334 GPRESSAVG: 1404400 30.6587 0.894428 25.4181 -7.22464 -5.161 -52.5277 25.2383 -52.3933 -47.1819 TIMING: 1404400 CPU: 4070.96, 0.00296369/step Wall: 4070.96, 0.00296368/step, 2.96006 hours remaining, 209.382812 MB of memory in use. ENERGY: 1404400 774.7318 2103.2523 1926.5505 102.1193 -205895.5647 17543.1539 0.0000 0.0000 34070.4582 -149375.2988 297.5458 -183445.7570 -149282.8994 298.4795 -176.6654 -143.2306 556994.1976 -7.2523 -7.2281 PRESSURE: 1404600 -120.346 -129.691 -4.5458 -129.692 -194.612 -0.554106 -4.54567 -0.554152 59.3301 GPRESSURE: 1404600 -135.073 -77.8645 -46.1668 -125.311 -163.416 17.6052 -1.57426 22.6521 146.257 PRESSAVG: 1404600 -21.2289 -0.662693 -12.6949 -0.662653 3.13843 -12.7367 -12.695 -12.7366 16.9804 GPRESSAVG: 1404600 -21.7914 -0.867129 -15.3308 1.05534 1.98902 -13.0175 -9.07338 -12.3596 18.6583 TIMING: 1404600 CPU: 4071.54, 0.0028778/step Wall: 4071.54, 0.0028778/step, 2.87412 hours remaining, 209.585938 MB of memory in use. ENERGY: 1404600 750.7834 2124.5590 1923.8685 128.3402 -206217.8754 17543.7568 0.0000 0.0000 34405.5387 -149341.0288 300.4721 -183746.5675 -149236.3542 299.1532 -85.2094 -50.7439 556553.2794 -0.3700 -0.3814 PRESSURE: 1404800 -29.044 142.244 128.731 142.244 152.664 -142.696 128.73 -142.696 60.801 GPRESSURE: 1404800 -4.04136 217.806 116.466 99.198 182.65 -118.418 268.867 -147.525 85.9949 PRESSAVG: 1404800 -41.2691 34.414 34.9377 34.414 -30.0562 -59.699 34.9377 -59.6991 13.7984 GPRESSAVG: 1404800 -42.2454 34.8536 37.0574 36.3519 -28.1655 -56.0781 32.1466 -61.7372 13.2062 TIMING: 1404800 CPU: 4072.11, 0.00289042/step Wall: 4072.11, 0.00289042/step, 2.88656 hours remaining, 209.585938 MB of memory in use. ENERGY: 1404800 776.8252 2089.5030 1941.4336 119.9308 -206659.9707 18084.9150 0.0000 0.0000 34281.1451 -149366.2179 299.3858 -183647.3631 -149268.2206 299.4741 61.4737 88.2012 556064.6984 -19.1757 -19.0682 PRESSURE: 1405000 48.9772 13.2409 -116.169 13.2419 -449.09 91.6366 -116.168 91.6375 -361.131 GPRESSURE: 1405000 58.8648 -32.0918 -122.73 87.7387 -403.196 159.711 -30.4864 -37.6444 -303.049 PRESSAVG: 1405000 58.6617 39.278 0.898268 39.278 18.6308 -15.5333 0.898297 -15.5332 2.46549 GPRESSAVG: 1405000 59.99 38.9723 0.426579 38.1622 17.6412 -18.0504 2.52068 -14.5638 2.30974 TIMING: 1405000 CPU: 4072.69, 0.00289579/step Wall: 4072.69, 0.00289579/step, 2.89176 hours remaining, 209.585938 MB of memory in use. ENERGY: 1405000 805.6094 2123.2304 1941.0060 119.4697 -206309.8424 17700.7501 0.0000 0.0000 34157.8706 -149461.9062 298.3092 -183619.7768 -149369.4453 298.1008 -253.7478 -215.7934 558877.6172 26.5860 26.6470 PRESSURE: 1405200 94.5109 157.197 -16.588 157.197 -97.3783 -47.1892 -16.5894 -47.1876 -78.9945 GPRESSURE: 1405200 103.489 66.5007 30.6599 187.41 -74.491 -53.3201 10.334 -36.7411 -9.84457 PRESSAVG: 1405200 51.2904 9.60683 -44.4581 9.6068 -30.7839 -35.7179 -44.458 -35.7178 -10.0117 GPRESSAVG: 1405200 50.3103 8.3256 -44.1164 11.0046 -30.7192 -34.7874 -45.4972 -36.3922 -9.60306 TIMING: 1405200 CPU: 4073.27, 0.00290249/step Wall: 4073.27, 0.00290249/step, 2.89829 hours remaining, 209.640625 MB of memory in use. ENERGY: 1405200 784.8097 2137.6002 1957.8891 103.9919 -206942.6143 18093.3096 0.0000 0.0000 34209.6887 -149655.3250 298.7617 -183865.0138 -149557.8944 298.5794 -27.2873 6.3846 558389.6825 3.4983 3.3293 PRESSURE: 1405400 20.8222 0.931778 2.81867 0.932226 70.3519 -41.7587 2.81729 -41.7586 -206.37 GPRESSURE: 1405400 37.2511 13.6533 -0.167655 -8.22794 82.9242 -71.3691 -18.8067 -22.2169 -147.563 PRESSAVG: 1405400 -22.9903 -13.9642 2.65547 -13.9643 8.2814 2.12065 2.65546 2.12065 9.13052 GPRESSAVG: 1405400 -21.7399 -12.5884 3.87875 -14.0357 7.94566 2.43159 3.37274 -0.0611239 8.30231 TIMING: 1405400 CPU: 4073.85, 0.00288747/step Wall: 4073.85, 0.00288747/step, 2.88314 hours remaining, 209.640625 MB of memory in use. ENERGY: 1405400 725.3992 2135.9306 1965.7184 136.1506 -206784.2124 17955.4147 0.0000 0.0000 34281.7303 -149583.8686 299.3909 -183865.5989 -149491.7691 298.2675 -38.3986 -9.1293 558118.9542 -1.8595 -1.8307 PRESSURE: 1405600 60.147 -67.5731 79.3708 -67.5734 -202.848 -15.4809 79.3706 -15.4819 -145.317 GPRESSURE: 1405600 53.1317 -105.131 154.191 -75.0813 -144.351 3.72672 143.339 -69.3632 -95.765 PRESSAVG: 1405600 -30.5789 -21.8523 62.4585 -21.8523 70.916 -36.6702 62.4586 -36.6703 -52.0851 GPRESSAVG: 1405600 -31.0794 -23.001 60.4969 -23.4464 70.7921 -38.0821 61.9432 -35.9723 -50.7645 TIMING: 1405600 CPU: 4074.43, 0.00290231/step Wall: 4074.43, 0.00290231/step, 2.8978 hours remaining, 209.640625 MB of memory in use. ENERGY: 1405600 761.8586 2116.9954 1922.2178 118.8328 -206557.7836 17902.2858 0.0000 0.0000 34204.1673 -149531.4260 298.7135 -183735.5933 -149435.8183 298.4493 -96.0060 -62.3281 556244.4279 -3.9160 -3.6839 PRESSURE: 1405800 20.1992 -214.493 79.5767 -214.494 -171.436 -96.2682 79.5783 -96.269 -110.221 GPRESSURE: 1405800 97.1305 -185.142 160.945 -204.699 -175.19 -131.168 35.8031 -118.246 -73.7916 PRESSAVG: 1405800 30.3977 -29.0922 12.0323 -29.0922 37.3697 14.1073 12.0322 14.1073 -71.4893 GPRESSAVG: 1405800 30.6226 -30.113 12.4496 -29.8258 36.7726 13.3391 11.3524 15.1581 -71.6098 TIMING: 1405800 CPU: 4075.01, 0.0029092/step Wall: 4075.01, 0.0029092/step, 2.90451 hours remaining, 209.640625 MB of memory in use. ENERGY: 1405800 776.6661 2093.2935 1959.6495 123.6904 -206081.5721 17564.0175 0.0000 0.0000 34038.1575 -149526.0976 297.2637 -183564.2551 -149423.7393 298.6118 -87.1528 -50.6170 555470.4703 -1.2406 -1.4049 PRESSURE: 1406000 12.9353 -130.711 -119.041 -130.711 114.077 -62.5411 -119.041 -62.5406 -203.551 GPRESSURE: 1406000 123.073 -198.431 -71.2185 -64.409 52.8745 -1.69121 -31.1121 -92.8006 -144.837 PRESSAVG: 1406000 26.0999 9.56756 6.32283 9.56752 -29.0277 15.1588 6.32277 15.1586 -66.5224 GPRESSAVG: 1406000 26.8469 10.9946 8.01248 9.8729 -29.2639 15.6055 6.40606 18.2241 -66.4638 TIMING: 1406000 CPU: 4075.6, 0.00292172/step Wall: 4075.6, 0.00292172/step, 2.91686 hours remaining, 209.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1406000 781.3780 2107.3523 1969.6430 122.6170 -206455.6332 17896.3255 0.0000 0.0000 34103.7042 -149474.6132 297.8361 -183578.3174 -149380.1240 298.1219 -25.5129 10.3705 556324.9902 -23.1501 -22.9603 PRESSURE: 1406200 143.576 -88.2256 -28.7904 -88.2243 -71.2529 -84.0327 -28.7908 -84.0337 165.803 GPRESSURE: 1406200 138.558 -68.1529 -1.41954 -135.063 -26.7084 -46.7518 -41.5436 -151.958 232.825 PRESSAVG: 1406200 4.24391 -38.5732 -25.1455 -38.5732 -10.2659 23.2608 -25.1455 23.2607 30.8405 GPRESSAVG: 1406200 3.5091 -39.5614 -25.426 -37.3153 -7.9594 25.3207 -24.206 20.6724 29.2825 TIMING: 1406200 CPU: 4076.18, 0.00291151/step Wall: 4076.18, 0.00291151/step, 2.9065 hours remaining, 209.640625 MB of memory in use. ENERGY: 1406200 750.1548 2101.2520 1962.0726 122.4797 -206456.2386 17855.9807 0.0000 0.0000 34240.0162 -149424.2827 299.0266 -183664.2989 -149327.7547 298.4339 79.3754 114.8918 556742.4934 8.2729 8.2774 PRESSURE: 1406400 -58.1086 73.1493 101.017 73.1481 254.763 18.8007 101.017 18.8 -32.76 GPRESSURE: 1406400 -4.26226 113.867 110.273 83.148 280.076 58.071 171.534 -108.874 -15.0896 PRESSAVG: 1406400 -50.3297 5.80543 6.55783 5.80542 60.1034 -44.7559 6.55788 -44.7558 4.46441 GPRESSAVG: 1406400 -50.4492 6.0562 5.27993 4.28732 59.3728 -46.0233 6.84754 -45.2672 5.31932 TIMING: 1406400 CPU: 4076.76, 0.00291161/step Wall: 4076.76, 0.00291161/step, 2.90643 hours remaining, 209.640625 MB of memory in use. ENERGY: 1406400 752.5861 2118.8750 1966.8770 123.2868 -206569.8792 18140.5848 0.0000 0.0000 34004.8758 -149462.7936 296.9730 -183467.6694 -149372.9324 298.0204 54.6315 86.9080 557208.0939 4.7460 4.7477 PRESSURE: 1406600 30.3529 -165.631 18.4712 -165.632 -46.652 -108.143 18.4699 -108.143 6.80842 GPRESSURE: 1406600 67.4922 -144.619 73.0384 -173.79 8.97732 -40.8487 -100.257 -92.4575 11.5443 PRESSAVG: 1406600 -45.2001 -16.7568 26.1859 -16.7569 55.7376 25.4163 26.1859 25.4162 -14.7899 GPRESSAVG: 1406600 -43.9367 -16.8244 28.2033 -14.7721 55.3828 26.2226 24.5414 24.2203 -15.5463 TIMING: 1406600 CPU: 4077.34, 0.00290812/step Wall: 4077.34, 0.00290812/step, 2.90279 hours remaining, 209.640625 MB of memory in use. ENERGY: 1406600 744.1483 2153.8904 1944.3030 115.8384 -206283.3087 17841.3594 0.0000 0.0000 34106.7728 -149376.9966 297.8629 -183483.7693 -149275.6885 298.6373 -3.1636 29.3379 556083.1089 -1.4175 -1.3668 PRESSURE: 1406800 -11.0452 -64.8891 -161.788 -64.8899 151.723 -106.361 -161.787 -106.362 -210.461 GPRESSURE: 1406800 -46.172 -45.4227 -109.216 -69.8807 217.918 -118.11 -174.128 -73.7026 -138.251 PRESSAVG: 1406800 77.3005 -13.2377 -6.27212 -13.2377 -67.4449 -15.8894 -6.27222 -15.8893 -23.073 GPRESSAVG: 1406800 76.8681 -14.0129 -8.86027 -12.5354 -68.7098 -16.3751 -4.93631 -16.0203 -21.6698 TIMING: 1406800 CPU: 4077.93, 0.00291197/step Wall: 4077.93, 0.00291197/step, 2.90647 hours remaining, 209.640625 MB of memory in use. ENERGY: 1406800 732.6116 2119.0118 1961.8098 122.8524 -206228.1226 17792.9257 0.0000 0.0000 34211.4794 -149287.4319 298.7774 -183498.9113 -149188.8209 298.9613 -23.2613 11.1651 558153.1444 -4.4058 -4.5038 PRESSURE: 1407000 263.355 179.989 -11.0453 179.99 18.5507 61.6105 -11.0458 61.6117 142.248 GPRESSURE: 1407000 297.828 212.493 -10.9252 128.301 79.2015 82.3023 -84.9749 39.9424 144.312 PRESSAVG: 1407000 39.7755 2.21905 -43.8309 2.21902 4.58848 42.9149 -43.8308 42.915 1.31774 GPRESSAVG: 1407000 39.5625 3.02443 -43.1872 1.46443 5.53697 44.4134 -42.9781 43.126 0.123466 TIMING: 1407000 CPU: 4078.51, 0.0029246/step Wall: 4078.51, 0.0029246/step, 2.91891 hours remaining, 209.640625 MB of memory in use. ENERGY: 1407000 727.5568 2104.4414 1934.1313 107.7635 -205974.9547 17953.1919 0.0000 0.0000 34144.6268 -149003.2430 298.1935 -183147.8698 -148907.1193 299.6592 141.3846 173.7803 558916.7232 15.2273 15.0743 PRESSURE: 1407200 21.6258 178.998 7.11231 178.998 343.565 -80.1459 7.11252 -80.1464 -258.8 GPRESSURE: 1407200 51.5111 124.573 60.0215 202.407 353.241 -49.8587 51.0845 -39.0351 -196.969 PRESSAVG: 1407200 -2.84074 -35.0816 -14.9864 -35.0817 -15.7027 -21.4112 -14.9863 -21.4112 33.5117 GPRESSAVG: 1407200 -2.89335 -35.1365 -15.063 -35.8106 -15.8826 -22.1229 -16.0852 -20.4554 33.7383 TIMING: 1407200 CPU: 4079.1, 0.00292586/step Wall: 4079.1, 0.00292586/step, 2.92001 hours remaining, 209.640625 MB of memory in use. ENERGY: 1407200 790.4599 2120.9209 1945.7143 113.3598 -206282.0366 17976.7365 0.0000 0.0000 34403.5026 -148931.3426 300.4543 -183334.8452 -148833.9415 299.4837 35.4637 69.2610 560157.0092 4.9894 4.9874 PRESSURE: 1407400 -191.633 -28.2009 192.668 -28.2012 -54.7739 1.81539 192.667 1.81521 -64.289 GPRESSURE: 1407400 -176.001 -48.1586 132.475 -46.7382 8.0921 -15.6889 129.761 16.563 -43.7398 PRESSAVG: 1407400 26.0256 -65.037 4.99375 -65.0371 -2.23912 1.3076 4.99374 1.30752 2.13581 GPRESSAVG: 1407400 25.8865 -64.5157 5.59877 -65.7348 -3.3823 0.157322 4.68457 1.35756 3.56473 TIMING: 1407400 CPU: 4079.68, 0.00291496/step Wall: 4079.68, 0.00291496/step, 2.90896 hours remaining, 209.640625 MB of memory in use. ENERGY: 1407400 773.2844 2110.4213 1929.2895 108.7756 -206109.8542 17648.9358 0.0000 0.0000 34489.7804 -149049.3673 301.2078 -183539.1477 -148954.7513 299.8610 -103.5654 -70.5497 559427.6927 8.6408 8.6896 PRESSURE: 1407600 -146.678 24.6503 176.876 24.6501 -74.7367 -237.645 176.877 -237.647 24.8703 GPRESSURE: 1407600 -103.011 212.391 67.1095 -48.2698 -62.0951 -199.585 209.752 -150.892 57.7497 PRESSAVG: 1407600 -23.6545 19.3122 8.61167 19.3124 -6.65526 12.523 8.61162 12.5231 52.1 GPRESSAVG: 1407600 -24.6073 19.8512 8.30937 20.3701 -5.12978 12.9646 9.5153 11.8092 51.2528 TIMING: 1407600 CPU: 4080.26, 0.0029222/step Wall: 4080.26, 0.0029222/step, 2.91604 hours remaining, 209.640625 MB of memory in use. ENERGY: 1407600 795.7540 2119.9710 1935.3559 120.0414 -206108.7994 17810.3479 0.0000 0.0000 34377.2336 -148950.0956 300.2249 -183327.3293 -148846.6666 299.7642 -65.5146 -35.7855 558561.2203 7.2634 7.1719 PRESSURE: 1407800 33.0632 14.2664 -135.362 14.2678 -36.4903 -102.523 -135.362 -102.523 116.61 GPRESSURE: 1407800 146.425 26.345 -134.496 -34.9833 -69.5443 -121.401 -181.817 -178.15 145.856 PRESSAVG: 1407800 2.87939 -21.455 8.47342 -21.4549 3.65632 40.2367 8.47349 40.2368 -2.86803 GPRESSAVG: 1407800 4.23715 -21.5134 7.94879 -23.8856 3.3536 41.1453 9.06872 39.8958 -3.52704 TIMING: 1407800 CPU: 4080.85, 0.00292769/step Wall: 4080.85, 0.00292769/step, 2.92135 hours remaining, 209.640625 MB of memory in use. ENERGY: 1407800 749.8387 2056.2619 1955.8496 113.7259 -206178.2841 17990.6787 0.0000 0.0000 34228.8821 -149083.0472 298.9293 -183311.9293 -148982.7148 300.3406 37.7277 74.2455 558657.6652 1.2226 1.3546 PRESSURE: 1408000 8.32505 -107.339 29.8602 -107.338 -158.695 -94.9991 29.8595 -95.0001 -139.158 GPRESSURE: 1408000 -39.0595 -97.439 83.6988 -108.708 -114.114 -62.7853 53.2511 -109.258 -40.8282 PRESSAVG: 1408000 5.38791 -83.7587 -6.60535 -83.7587 -22.8096 -26.8909 -6.60536 -26.891 28.0962 GPRESSAVG: 1408000 3.05501 -86.6622 -5.77658 -82.0733 -22.107 -29.563 -8.31197 -25.5018 29.8384 TIMING: 1408000 CPU: 4081.44, 0.00292718/step Wall: 4081.44, 0.00292718/step, 2.92068 hours remaining, 209.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1408000 781.9043 2096.3546 1932.5502 104.2392 -205921.8910 17696.9663 0.0000 0.0000 34055.8910 -149253.9854 297.4186 -183309.8764 -149159.8520 298.6788 -96.5096 -64.6672 557975.3406 3.5582 3.5955 PRESSURE: 1408200 -166.381 -81.8347 84.3246 -81.8346 -58.3136 -69.2635 84.3247 -69.2645 -72.8895 GPRESSURE: 1408200 -107.169 -118.898 159.304 -117.523 -63.1151 -49.2155 -41.1158 -21.9185 -24.5108 PRESSAVG: 1408200 -0.516728 -42.6357 12.279 -42.6357 -8.63354 -66.0206 12.279 -66.0207 -11.9266 GPRESSAVG: 1408200 0.510429 -42.1724 12.1197 -43.3716 -8.86371 -63.063 13.9689 -68.0732 -12.9139 TIMING: 1408200 CPU: 4082.02, 0.00290841/step Wall: 4082.02, 0.00290841/step, 2.90179 hours remaining, 209.640625 MB of memory in use. ENERGY: 1408200 750.1105 2097.2911 1947.3061 108.4251 -206037.5685 17593.0455 0.0000 0.0000 34252.4757 -149288.9145 299.1354 -183541.3902 -149196.7189 298.3776 -99.1947 -64.9317 557487.6543 -7.0256 -7.0891 LDB: ============= START OF LOAD BALANCING ============== 4085.41 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4085.41 LDB: =============== DONE WITH MIGRATION ================ 4085.41 LDB: ============= START OF LOAD BALANCING ============== 4085.7 LDB: Largest compute 4792 load 0.022864 is 19.4% of average load 0.117955 LDB: Average compute 0.001714 is 1.5% of average load 0.117955 LDB: TIME 4085.7 LOAD: AVG 0.117955 MAX 0.185455 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.25 MB LDB: TIME 4085.7 LOAD: AVG 0.117955 MAX 0.185455 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.254 MB LDB: TIME 4085.7 LOAD: AVG 0.117955 MAX 0.185455 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.254 MB LDB: ============== END OF LOAD BALANCING =============== 4085.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4085.71 PRESSURE: 1408400 -293.12 -23.1342 -18.2222 -23.1341 -7.29501 -7.41868 -18.2236 -7.41876 -276.75 GPRESSURE: 1408400 -197.269 -19.7631 -23.4578 26.6636 -22.6124 -4.52508 37.442 22.3444 -257.249 PRESSAVG: 1408400 -72.4537 -30.6932 -57.5287 -30.6932 21.2437 -1.59143 -57.5288 -1.59147 8.54033 GPRESSAVG: 1408400 -72.1332 -28.8919 -58.4823 -30.9694 20.0387 -1.84263 -57.2034 -1.47115 9.06196 TIMING: 1408400 CPU: 4082.61, 0.00297606/step Wall: 4082.61, 0.00297606/step, 2.96911 hours remaining, 207.859375 MB of memory in use. ENERGY: 1408400 747.2812 2105.4594 1952.8532 125.1735 -205840.7689 17435.2380 0.0000 0.0000 34308.2693 -149166.4942 299.6226 -183474.7636 -149076.0003 299.2992 -192.3883 -159.0435 558142.4012 -14.2232 -14.3442 PRESSURE: 1408600 193.198 72.4632 -75.3429 72.4629 4.29621 -28.6625 -75.3412 -28.6634 -171.058 GPRESSURE: 1408600 212.216 17.1286 -87.8055 81.6544 35.6203 -83.5408 -102.726 -57.9541 -135.958 PRESSAVG: 1408600 13.9833 13.307 9.51419 13.307 34.6579 -16.6777 9.51416 -16.6776 -46.3502 GPRESSAVG: 1408600 14.0099 12.7677 9.82015 14.872 34.2581 -14.9118 9.33345 -17.1051 -46.26 TIMING: 1408600 CPU: 4083.19, 0.0029064/step Wall: 4083.19, 0.0029064/step, 2.89946 hours remaining, 208.062500 MB of memory in use. ENERGY: 1408600 758.4796 2142.7710 1947.3626 115.7741 -206100.0356 17753.4144 0.0000 0.0000 34423.3594 -148958.8745 300.6278 -183382.2340 -148864.6039 300.1843 8.8121 37.2928 556155.0636 0.7637 0.6693 PRESSURE: 1408800 -8.44259 94.902 45.6972 94.9024 -62.1677 132.34 45.6976 132.341 -99.6104 GPRESSURE: 1408800 2.04731 134.337 57.4346 77.9084 -41.925 133.548 96.9999 72.918 -38.6526 PRESSAVG: 1408800 28.8203 50.9168 15.0724 50.9169 -39.1794 -3.62959 15.0724 -3.62968 -0.933773 GPRESSAVG: 1408800 28.6145 51.4378 15.9074 48.7802 -37.7722 -5.14418 14.8737 -3.8306 -1.87404 TIMING: 1408800 CPU: 4083.78, 0.00291042/step Wall: 4083.78, 0.00291042/step, 2.90331 hours remaining, 208.062500 MB of memory in use. ENERGY: 1408800 728.8290 2123.3305 1959.1649 110.5564 -205738.6125 17492.6337 0.0000 0.0000 34330.7705 -148993.3275 299.8192 -183324.0980 -148893.8804 300.4523 -56.7402 -26.1768 556149.4156 -3.7643 -3.6772 PRESSURE: 1409000 -316.004 -186.415 132.004 -186.416 -79.4168 45.5602 132.004 45.5599 58.7025 GPRESSURE: 1409000 -221.613 -214.557 92.756 -140.401 -63.1476 -4.82038 96.5962 101.417 48.4367 PRESSAVG: 1409000 42.8595 6.94854 20.1694 6.94857 -19.5645 80.2151 20.1694 80.2152 -4.57248 GPRESSAVG: 1409000 43.6545 4.66806 17.8654 9.36571 -19.706 79.7348 21.8767 80.7211 -5.09413 TIMING: 1409000 CPU: 4084.36, 0.00290194/step Wall: 4084.36, 0.00290194/step, 2.89468 hours remaining, 208.062500 MB of memory in use. ENERGY: 1409000 784.8588 2068.4878 1918.9232 116.5590 -205582.3689 17378.2347 0.0000 0.0000 34355.8826 -148959.4228 300.0385 -183315.3054 -148863.8416 299.6180 -112.2395 -78.7747 555739.2790 6.2408 6.2848 PRESSURE: 1409200 -80.3275 121.898 138.842 121.9 -406.352 -88.2698 138.844 -88.269 -37.1882 GPRESSURE: 1409200 -36.6081 132.793 100.569 121.801 -319.082 -89.536 202.87 -131.994 -65.3146 PRESSAVG: 1409200 20.9657 26.8808 83.8728 26.8808 -26.8405 -29.6405 83.8729 -29.6404 19.7982 GPRESSAVG: 1409200 20.6273 28.6431 83.9686 26.7945 -27.3914 -29.5659 83.0776 -31.0513 21.0109 TIMING: 1409200 CPU: 4084.94, 0.00291243/step Wall: 4084.94, 0.00291243/step, 2.90498 hours remaining, 208.062500 MB of memory in use. ENERGY: 1409200 759.8406 2156.1285 1922.5851 127.3043 -205653.2443 17388.2808 0.0000 0.0000 34444.2722 -148854.8328 300.8104 -183299.1050 -148763.4341 299.9543 -174.6227 -140.3348 556660.1575 4.6412 4.7489 PRESSURE: 1409400 -152.915 -1.83438 132.138 -1.83549 94.8835 -94.6836 132.137 -94.683 -23.0642 GPRESSURE: 1409400 -82.1438 43.3039 41.0491 -82.9516 90.8077 -100.489 162.972 -108.21 10.2285 PRESSAVG: 1409400 36.7719 19.7982 17.2059 19.7983 -64.8996 -34.184 17.2058 -34.184 54.3913 GPRESSAVG: 1409400 36.2473 20.5984 18.6757 17.8067 -64.1936 -34.3557 15.7699 -33.3543 53.7738 TIMING: 1409400 CPU: 4085.53, 0.00293315/step Wall: 4085.53, 0.00293315/step, 2.92549 hours remaining, 208.062500 MB of memory in use. ENERGY: 1409400 773.9333 2108.6751 1960.0874 113.4414 -206078.9587 17760.7906 0.0000 0.0000 34331.1483 -149030.8826 299.8225 -183362.0309 -148935.5084 300.2770 -27.0317 6.2975 555987.3406 8.7545 8.6092 PRESSURE: 1409600 134.837 -198.549 122.04 -198.549 -26.8364 -111.421 122.039 -111.42 1.33687 GPRESSURE: 1409600 192.282 -236.611 183.68 -169.33 -27.1791 -22.4498 190.716 -118.901 37.297 PRESSAVG: 1409600 34.7674 -63.5211 75.6099 -63.521 -36.7603 16.3436 75.6098 16.3437 -36.0771 GPRESSAVG: 1409600 32.8064 -65.5566 77.0662 -61.5798 -35.6043 16.0835 75.0248 17.4772 -35.9128 TIMING: 1409600 CPU: 4086.1, 0.00288998/step Wall: 4086.1, 0.00288998/step, 2.88227 hours remaining, 208.062500 MB of memory in use. ENERGY: 1409600 733.0431 2092.1062 1950.6563 115.0731 -206092.9481 17860.1522 0.0000 0.0000 34294.9224 -149046.9948 299.5061 -183341.9171 -148954.5168 299.9238 36.4459 67.4667 556691.6964 -12.6900 -12.9036 PRESSURE: 1409800 -27.8471 -42.1355 42.8679 -42.1341 159.31 87.1164 42.867 87.1159 157.586 GPRESSURE: 1409800 59.086 -39.5059 46.4475 -88.3975 160.344 40.493 115.045 122.009 173.434 PRESSAVG: 1409800 -31.3508 13.6995 18.9432 13.6995 -54.4984 11.519 18.9432 11.519 88.8356 GPRESSAVG: 1409800 -29.5642 12.3238 19.9172 15.9508 -57.1425 10.6767 18.4167 11.6558 89.4759 TIMING: 1409800 CPU: 4086.69, 0.00292732/step Wall: 4086.69, 0.00292732/step, 2.91935 hours remaining, 208.062500 MB of memory in use. ENERGY: 1409800 746.1401 2112.2725 1924.5802 114.8518 -206214.9450 17908.7322 0.0000 0.0000 34331.3891 -149076.9791 299.8246 -183408.3682 -148984.3759 300.0172 96.3496 130.9549 557019.3460 0.9955 0.9231 PRESSURE: 1410000 -118.364 191.96 -12.4492 191.961 140.075 65.1683 -12.449 65.1664 154.208 GPRESSURE: 1410000 -23.6585 193.318 -102.213 140.785 110.902 149.246 43.06 2.53333 194.082 PRESSAVG: 1410000 -30.5312 -1.71435 14.5461 -1.71431 -0.942188 34.933 14.5462 34.933 39.456 GPRESSAVG: 1410000 -29.9508 -1.11861 12.1555 -3.48045 0.90433 35.755 15.0132 34.6665 37.0814 TIMING: 1410000 CPU: 4087.27, 0.00290746/step Wall: 4087.27, 0.00290746/step, 2.89938 hours remaining, 208.062500 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: 1410000 742.1490 2141.6949 1946.8507 119.2188 -206210.6965 18054.7915 0.0000 0.0000 34137.9644 -149068.0274 298.1353 -183205.9918 -148975.9029 299.3607 58.6395 93.7751 557600.2252 2.6609 2.6783 PRESSURE: 1410200 -35.5828 -110.694 67.5901 -110.694 116.341 136.324 67.5899 136.322 108.451 GPRESSURE: 1410200 20.0201 -128.469 -34.4468 -141.368 150.158 60.5004 117.117 95.0029 113.653 PRESSAVG: 1410200 -7.9519 40.0304 22.7432 40.0304 26.8793 -24.4454 22.7431 -24.4453 24.8301 GPRESSAVG: 1410200 -7.11744 40.4473 22.1544 39.8323 26.4671 -21.583 24.2103 -24.572 25.1685 TIMING: 1410200 CPU: 4087.85, 0.00291613/step Wall: 4087.85, 0.00291613/step, 2.90787 hours remaining, 208.062500 MB of memory in use. ENERGY: 1410200 760.5235 2029.9298 1946.8283 106.4967 -206280.6950 17959.0297 0.0000 0.0000 34433.0792 -149044.8078 300.7126 -183477.8870 -148943.0916 299.4024 63.0698 94.6105 558178.9932 14.5858 14.8394 PRESSURE: 1410400 272.376 -68.6822 21.5271 -68.6827 245.795 -75.413 21.5275 -75.4122 207.601 GPRESSURE: 1410400 364.524 -82.5753 55.7015 -69.778 240.115 17.6598 -32.4296 -62.4745 220.947 PRESSAVG: 1410400 3.18189 11.5312 39.5496 11.5311 11.6764 2.60629 39.5495 2.6063 21.7633 GPRESSAVG: 1410400 2.14101 12.6844 42.2587 12.7135 11.3037 -1.59634 37.836 2.51189 22.479 TIMING: 1410400 CPU: 4088.43, 0.00290499/step Wall: 4088.43, 0.00290499/step, 2.8966 hours remaining, 208.062500 MB of memory in use. ENERGY: 1410400 724.8013 2148.4786 1949.5168 107.4931 -206413.9947 18130.5012 0.0000 0.0000 34243.2505 -149109.9531 299.0548 -183353.2036 -149008.6568 298.9432 241.9239 275.1953 557003.0730 12.2072 11.9746 PRESSURE: 1410600 -16.0335 39.3844 -97.3735 39.3861 -194.879 -90.8187 -97.3727 -90.8168 -94.579 GPRESSURE: 1410600 -67.2463 -4.95423 -103.789 79.5153 -149.032 -46.7512 -41.9628 -185.89 -4.53096 PRESSAVG: 1410600 21.6569 3.02817 4.59911 3.02825 -31.485 20.3984 4.59906 20.3984 -30.9878 GPRESSAVG: 1410600 19.3938 3.37178 5.57181 0.849952 -30.6509 23.2399 4.86647 19.3345 -29.787 TIMING: 1410600 CPU: 4089.02, 0.00293278/step Wall: 4089.02, 0.00293278/step, 2.92414 hours remaining, 208.062500 MB of memory in use. ENERGY: 1410600 757.5856 2157.4089 1922.6287 105.6645 -206168.0293 17881.4662 0.0000 0.0000 34362.6899 -148980.5855 300.0979 -183343.2753 -148890.4947 299.5154 -101.8304 -73.6030 558939.8024 -13.6053 -13.6814 PRESSURE: 1410800 -55.5582 -46.1978 -151.928 -46.1979 -202.25 102.168 -151.928 102.168 -435.586 GPRESSURE: 1410800 -15.9951 -53.707 -144.294 -87.948 -241.143 95.181 -204.06 188.454 -342.329 PRESSAVG: 1410800 -39.8897 -15.9572 -21.3429 -15.9572 7.19189 7.49874 -21.343 7.4989 24.1808 GPRESSAVG: 1410800 -37.8638 -17.2492 -22.8501 -13.4153 6.59252 5.752 -20.8784 10.4686 22.555 TIMING: 1410800 CPU: 4089.61, 0.00292477/step Wall: 4089.61, 0.00292477/step, 2.916 hours remaining, 208.062500 MB of memory in use. ENERGY: 1410800 743.8691 2133.3684 1945.1886 113.8150 -205638.8199 17372.5679 0.0000 0.0000 34395.2082 -148934.8025 300.3819 -183330.0107 -148835.2064 300.2331 -231.1315 -199.8225 558162.3102 -2.8390 -2.9054 PRESSURE: 1411000 168.599 -76.7322 -30.1001 -76.7321 124.796 103.238 -30.0995 103.238 162.304 GPRESSURE: 1411000 144.247 -120.725 -47.1074 25.337 198.435 0.803736 -33.9365 74.7056 219.395 PRESSAVG: 1411000 72.9319 -19.4451 19.6633 -19.4451 -51.8576 -2.73285 19.6633 -2.73274 -17.6703 GPRESSAVG: 1411000 72.1068 -19.0514 20.028 -21.0869 -52.4061 -2.00743 19.5343 -4.40007 -16.0695 TIMING: 1411000 CPU: 4090.19, 0.00293972/step Wall: 4090.19, 0.00293972/step, 2.93074 hours remaining, 208.062500 MB of memory in use. ENERGY: 1411000 744.6254 2128.2079 1927.6407 112.2347 -206184.8302 17967.3165 0.0000 0.0000 34311.4024 -148993.4027 299.6500 -183304.8050 -148898.5578 299.9462 151.8998 187.3592 557045.3895 1.1346 1.2104 PRESSURE: 1411200 -85.7158 -26.7121 123.1 -26.7132 -114.095 94.1692 123.099 94.1698 -108.654 GPRESSURE: 1411200 -81.0408 -16.3061 60.5981 62.6372 -61.4266 127.784 139.433 30.2565 -75.423 PRESSAVG: 1411200 47.6264 10.2086 4.63348 10.2087 72.0009 20.4544 4.63343 20.4544 -63.6882 GPRESSAVG: 1411200 47.6475 10.5012 3.23678 10.5273 72.9393 20.8834 5.18021 19.768 -64.4731 TIMING: 1411200 CPU: 4090.78, 0.00293266/step Wall: 4090.78, 0.00293266/step, 2.92353 hours remaining, 208.062500 MB of memory in use. ENERGY: 1411200 729.8079 2111.0942 1896.0155 111.5067 -205968.6911 17719.2811 0.0000 0.0000 34507.4199 -148893.5657 301.3619 -183400.9857 -148798.2290 300.1983 -102.8214 -72.6301 558830.9645 18.6464 18.7046 PRESSURE: 1411400 70.8042 11.1432 10.552 11.1442 71.31 11.4196 10.5513 11.4187 -316.9 GPRESSURE: 1411400 120.113 -19.5319 -8.53152 -7.92411 78.4181 -22.5763 30.1039 23.9567 -282.31 PRESSAVG: 1411400 3.95038 15.2202 -18.8113 15.22 11.704 35.3684 -18.8113 35.3684 -6.87117 GPRESSAVG: 1411400 5.15208 14.5142 -17.1345 16.2503 10.5442 33.8058 -18.724 35.9508 -6.53944 TIMING: 1411400 CPU: 4091.37, 0.00294968/step Wall: 4091.37, 0.00294968/step, 2.94033 hours remaining, 208.062500 MB of memory in use. ENERGY: 1411400 769.2904 2075.6570 1934.9142 107.9052 -206001.7168 17832.2689 0.0000 0.0000 34281.2456 -149000.4356 299.3866 -183281.6811 -148908.5592 299.7963 -58.2618 -27.9260 558704.3643 2.9277 3.0523 PRESSURE: 1411600 -151.91 -41.3863 -98.9983 -41.3856 -312.827 -72.538 -98.9977 -72.5381 -228.478 GPRESSURE: 1411600 -166.079 -61.3794 -184.377 4.68439 -229.206 -82.0559 -25.1889 -78.2787 -204.138 PRESSAVG: 1411600 60.4268 35.2468 -80.1305 35.2468 -3.33912 -28.246 -80.1305 -28.246 -65.4488 GPRESSAVG: 1411600 60.2894 35.8825 -82.9048 34.8504 -2.05581 -27.1111 -79.0227 -28.6959 -66.0773 TIMING: 1411600 CPU: 4091.95, 0.00291086/step Wall: 4091.95, 0.00291086/step, 2.90148 hours remaining, 208.062500 MB of memory in use. ENERGY: 1411600 728.2295 2060.3716 1935.7192 101.9929 -205800.4914 17537.6919 0.0000 0.0000 34268.8713 -149167.6151 299.2786 -183436.4863 -149066.5498 299.0630 -231.0719 -199.8078 558567.1884 -2.7871 -2.6146 PRESSURE: 1411800 -195.629 -85.1796 -115.335 -85.1782 -114.72 -39.3255 -115.334 -39.3255 55.909 GPRESSURE: 1411800 -140.029 -67.4362 -59.4179 -83.7589 -80.2529 -59.1465 -127.384 75.227 59.7796 PRESSAVG: 1411800 45.2186 -33.8977 -37.2075 -33.8977 -25.2454 27.6395 -37.2075 27.6395 -32.1004 GPRESSAVG: 1411800 45.223 -32.4349 -35.6007 -36.1056 -26.777 27.3731 -38.2056 27.7505 -30.4366 TIMING: 1411800 CPU: 4092.54, 0.0029227/step Wall: 4092.54, 0.0029227/step, 2.91312 hours remaining, 208.062500 MB of memory in use. ENERGY: 1411800 750.3335 2102.4868 1933.4141 108.7909 -205887.1968 17697.6309 0.0000 0.0000 33905.8947 -149388.6459 296.1086 -183294.5406 -149290.3766 298.1832 -84.8133 -53.5009 559013.6128 -4.0424 -3.9969 PRESSURE: 1412000 -279.217 115.021 73.2534 115.02 -206.199 -17.852 73.2539 -17.8518 -420.104 GPRESSURE: 1412000 -214.841 67.9813 121.088 112.11 -183.638 -8.75253 -36.1941 -74.8858 -392.42 PRESSAVG: 1412000 100.894 -10.6281 -84.885 -10.6281 -27.7119 29.6826 -84.8851 29.6826 -58.0914 GPRESSAVG: 1412000 101.694 -13.601 -86.3568 -7.55429 -25.9726 29.0985 -82.4257 30.1043 -60.2095 TIMING: 1412000 CPU: 4093.12, 0.00290951/step Wall: 4093.12, 0.00290951/step, 2.89981 hours remaining, 208.062500 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: 1412000 788.2112 2102.6088 1906.7428 113.8228 -205957.9319 17466.0792 0.0000 0.0000 34223.0288 -149357.4383 298.8782 -183580.4671 -149259.4726 298.9405 -301.8400 -263.6328 558549.9088 5.0302 5.1707 PRESSURE: 1412200 -23.2365 -10.2122 226.486 -10.21 -291.202 -192.124 226.485 -192.123 -115.282 GPRESSURE: 1412200 0.266428 -6.88681 243.357 65.592 -230.866 -178.048 185.149 -149.65 -99.1779 PRESSAVG: 1412200 15.9092 30.7202 -6.16229 30.7201 -73.1696 -16.6985 -6.16229 -16.6984 45.9623 GPRESSAVG: 1412200 15.0303 31.6714 -3.79688 29.5763 -73.262 -13.9886 -8.78951 -18.2465 47.9063 TIMING: 1412200 CPU: 4093.7, 0.00289662/step Wall: 4093.7, 0.00289662/step, 2.8868 hours remaining, 208.062500 MB of memory in use. ENERGY: 1412200 741.9831 2108.8953 1929.6366 118.7499 -206098.4884 17655.2266 0.0000 0.0000 34196.8635 -149347.1334 298.6497 -183543.9969 -149251.8210 299.2349 -143.2403 -109.9260 557052.4028 -3.7660 -3.4418 LDB: ============= START OF LOAD BALANCING ============== 4097.08 LDB: ============== END OF LOAD BALANCING =============== 4097.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4097.09 LDB: ============= START OF LOAD BALANCING ============== 4097.38 LDB: Largest compute 4822 load 0.024388 is 20.7% of average load 0.118000 LDB: Average compute 0.001714 is 1.5% of average load 0.118000 LDB: TIME 4097.38 LOAD: AVG 0.118 MAX 0.183485 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.348 MB LDB: TIME 4097.38 LOAD: AVG 0.118 MAX 0.183485 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 4097.38 LOAD: AVG 0.118 MAX 0.183485 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: ============== END OF LOAD BALANCING =============== 4097.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4097.38 PRESSURE: 1412400 193.667 139.148 48.4702 139.149 224.282 -97.3486 48.4706 -97.3499 -66.7058 GPRESSURE: 1412400 269.921 147.502 103.425 177.512 154.762 -14.9931 25.6315 -156.484 36.1529 PRESSAVG: 1412400 -30.3122 34.4506 -13.1984 34.4505 5.18785 -1.39979 -13.1984 -1.39981 36.9297 GPRESSAVG: 1412400 -30.4729 35.8192 -14.4196 34.4412 5.1438 -0.543123 -11.3467 -0.951816 38.0842 TIMING: 1412400 CPU: 4094.29, 0.00295578/step Wall: 4094.29, 0.00295578/step, 2.9456 hours remaining, 208.871094 MB of memory in use. ENERGY: 1412400 807.7160 2095.4358 1921.4345 99.3761 -206740.3680 18212.4518 0.0000 0.0000 34235.2971 -149368.6566 298.9854 -183603.9537 -149274.5698 298.4017 117.0813 153.6121 558091.0748 3.9351 4.2517 PRESSURE: 1412600 -81.9676 -48.4444 38.4075 -48.4447 -22.1434 14.5982 38.4061 14.5987 -108.723 GPRESSURE: 1412600 -79.6593 -41.1481 63.4452 -26.5802 57.5467 27.8915 6.45967 -7.43006 -98.0027 PRESSAVG: 1412600 -1.70955 -44.0081 8.9945 -44.008 6.68414 -21.6896 8.99439 -21.6897 74.2778 GPRESSAVG: 1412600 -0.435598 -44.1557 10.3158 -46.0372 6.62786 -23.0191 7.51992 -21.5124 73.5039 TIMING: 1412600 CPU: 4094.87, 0.00290358/step Wall: 4094.87, 0.00290358/step, 2.89341 hours remaining, 209.074219 MB of memory in use. ENERGY: 1412600 752.1379 2095.8705 1918.2457 109.1994 -206242.7338 17634.7878 0.0000 0.0000 34440.3643 -149292.1283 300.7763 -183732.4926 -149188.3135 298.8087 -70.9447 -40.0384 557427.1472 26.4175 26.5654 PRESSURE: 1412800 26.0272 75.1827 17.0504 75.1822 -146.143 -6.96414 17.0507 -6.96306 -72.0658 GPRESSURE: 1412800 74.7117 119.885 -12.293 63.4667 -140.749 -69.2665 16.7114 31.3078 -25.2766 PRESSAVG: 1412800 -30.8708 -16.1928 -19.6322 -16.1929 -19.3559 -9.71018 -19.6322 -9.71025 6.57924 GPRESSAVG: 1412800 -31.6451 -15.6957 -19.8424 -15.5636 -19.4192 -11.5228 -21.0096 -7.10538 7.96707 TIMING: 1412800 CPU: 4095.45, 0.0029215/step Wall: 4095.45, 0.0029215/step, 2.91111 hours remaining, 209.074219 MB of memory in use. ENERGY: 1412800 768.2122 2126.9796 1944.9923 114.5888 -206530.0306 17809.1616 0.0000 0.0000 34563.3028 -149202.7934 301.8499 -183766.0962 -149103.9662 299.7431 -64.0606 -30.4380 558116.0513 -14.5491 -14.3658 PRESSURE: 1413000 121.651 10.3781 60.124 10.3785 -42.3871 -31.3268 60.1232 -31.3272 -30.7957 GPRESSURE: 1413000 163.813 -50.163 19.4957 49.2159 -50.0843 -45.2369 72.097 -44.1303 29.1119 PRESSAVG: 1413000 23.5921 -25.4731 -10.3803 -25.4732 -25.2159 -31.3901 -10.3803 -31.3901 -2.66653 GPRESSAVG: 1413000 23.5691 -29.3561 -11.7169 -23.1262 -24.4332 -32.2752 -7.4501 -31.6859 -2.6803 TIMING: 1413000 CPU: 4096.04, 0.00292603/step Wall: 4096.04, 0.00292603/step, 2.91547 hours remaining, 209.074219 MB of memory in use. ENERGY: 1413000 745.2346 2128.7520 1938.8739 127.0251 -206412.1584 17986.5801 0.0000 0.0000 34270.2637 -149215.4290 299.2907 -183485.6927 -149122.1907 299.6332 16.1559 47.6136 557446.1809 -1.4301 -1.1815 PRESSURE: 1413200 -311.786 327.679 -6.02841 327.677 -300.869 7.14011 -6.02879 7.13885 26.8199 GPRESSURE: 1413200 -285.561 353.24 3.46281 277.883 -243.834 63.6708 -12.375 17.789 48.6862 PRESSAVG: 1413200 -33.737 -9.47698 -7.22659 -9.47697 -24.9469 -16.6137 -7.22662 -16.6137 54.4579 GPRESSAVG: 1413200 -33.6973 -6.03858 -6.11076 -12.5077 -23.7777 -16.2698 -8.38743 -16.5595 53.1241 TIMING: 1413200 CPU: 4096.62, 0.00292388/step Wall: 4096.62, 0.00292388/step, 2.91316 hours remaining, 209.074219 MB of memory in use. ENERGY: 1413200 735.2421 2084.2101 1957.2034 109.4192 -205762.2315 17467.5191 0.0000 0.0000 34134.9320 -149273.7057 298.1089 -183408.6376 -149171.7656 300.2489 -195.2784 -160.2360 556996.5911 -1.4087 -1.4503 PRESSURE: 1413400 161.64 66.9694 93.2699 66.9684 -87.9276 -104.621 93.2698 -104.621 226.089 GPRESSURE: 1413400 175.399 68.0042 -17.3655 110.891 -66.1705 -165.17 76.2742 -14.5999 288.806 PRESSAVG: 1413400 -19.0277 14.6963 -36.0552 14.6963 12.6565 -14.448 -36.0552 -14.4481 40.4024 GPRESSAVG: 1413400 -19.5359 13.6197 -35.0033 16.4689 12.3993 -14.5676 -36.0596 -14.8983 41.0686 TIMING: 1413400 CPU: 4097.21, 0.0029147/step Wall: 4097.21, 0.0029147/step, 2.90385 hours remaining, 209.074219 MB of memory in use. ENERGY: 1413400 743.6583 2108.3057 1938.7241 123.3656 -206571.7653 18025.4142 0.0000 0.0000 34285.0852 -149347.2123 299.4202 -183632.2975 -149249.2905 299.9816 99.9338 132.6782 556074.8671 11.3437 11.3107 PRESSURE: 1413600 -186.881 266.094 87.5993 266.095 157.408 139.229 87.5971 139.23 -56.3699 GPRESSURE: 1413600 -145.494 118.631 77.6526 277.651 168.517 145.206 122.747 103.885 -19.6482 PRESSAVG: 1413600 45.3429 42.1903 22.9775 42.1902 -14.6199 -41.1343 22.9776 -41.1343 -17.9756 GPRESSAVG: 1413600 45.8691 41.1496 20.7431 42.9444 -15.4793 -40.5769 24.037 -40.6411 -17.51 TIMING: 1413600 CPU: 4097.79, 0.00292231/step Wall: 4097.79, 0.00292231/step, 2.91127 hours remaining, 209.074219 MB of memory in use. ENERGY: 1413600 735.0946 2049.3084 1932.8044 117.8728 -206125.7544 17800.4626 0.0000 0.0000 34221.5951 -149268.6164 298.8657 -183490.2115 -149173.5163 299.4204 -28.6140 1.1251 557622.3459 4.2491 4.2933 PRESSURE: 1413800 44.8141 -165.788 -60.8838 -165.787 -130.35 28.4029 -60.8829 28.4026 43.9091 GPRESSURE: 1413800 88.0822 -200.253 -90.6085 -47.4067 -135.421 129.77 -34.825 10.4525 110.438 PRESSAVG: 1413800 9.01117 51.2242 -4.97648 51.2242 -103.804 27.4043 -4.97649 27.4043 75.2039 GPRESSAVG: 1413800 10.0149 50.6619 -3.41438 51.355 -104.244 28.7663 -5.97321 27.0984 74.7191 TIMING: 1413800 CPU: 4098.37, 0.00290858/step Wall: 4098.37, 0.00290858/step, 2.89743 hours remaining, 209.074219 MB of memory in use. ENERGY: 1413800 779.9619 2061.7073 1921.5099 125.7561 -206309.0693 17903.8620 0.0000 0.0000 34363.0079 -149153.2642 300.1007 -183516.2721 -149064.4244 299.2232 -13.8755 21.0332 557668.1639 -6.5295 -6.5035 PRESSURE: 1414000 -106.198 -30.731 44.8783 -30.7305 -16.1507 -28.2209 44.8792 -28.2202 -128.172 GPRESSURE: 1414000 -100.11 -58.3246 52.8909 18.4573 51.6429 -15.2213 78.3893 84.5562 -109.597 PRESSAVG: 1414000 -4.8605 -20.8709 4.71376 -20.871 24.9148 8.52832 4.71381 8.52831 0.670847 GPRESSAVG: 1414000 -5.06589 -20.7725 3.72266 -21.9962 25.6183 8.0799 5.54714 8.97441 0.0634592 TIMING: 1414000 CPU: 4098.95, 0.00290287/step Wall: 4098.95, 0.00290287/step, 2.89158 hours remaining, 209.074219 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: 1414000 788.0480 2012.6687 1940.7610 96.1115 -206300.6297 17821.9011 0.0000 0.0000 34378.2194 -149262.9199 300.2335 -183641.1393 -149160.2061 299.6063 -83.5069 -52.6879 556949.0572 6.9084 6.8720 PRESSURE: 1414200 -303.814 -73.5733 -100.714 -73.5725 -5.26209 226.36 -100.713 226.358 165.54 GPRESSURE: 1414200 -251.018 -28.8301 -19.4951 -99.4241 -7.77007 292.295 -109.235 190.888 211.744 PRESSAVG: 1414200 -87.2111 -31.7474 -3.42701 -31.7475 81.872 -4.1532 -3.42692 -4.15321 27.4831 GPRESSAVG: 1414200 -87.3823 -31.8103 -3.47162 -32.2287 81.18 -4.07354 -2.62377 -5.22469 29.0021 TIMING: 1414200 CPU: 4099.54, 0.00290535/step Wall: 4099.54, 0.00290535/step, 2.89389 hours remaining, 209.074219 MB of memory in use. ENERGY: 1414200 758.0878 2022.3843 1922.9610 98.1982 -205979.9855 17720.3917 0.0000 0.0000 34336.3877 -149121.5749 299.8682 -183457.9626 -149022.4205 299.5429 -47.8453 -15.6815 557579.3019 7.3814 7.6000 PRESSURE: 1414400 85.6014 -93.769 14.57 -93.7683 -337.755 -85.1746 14.5689 -85.1739 1.58436 GPRESSURE: 1414400 132.373 -93.8657 24.2267 -45.487 -319.648 -80.5425 41.5558 -68.5096 17.4155 PRESSAVG: 1414400 16.3227 -17.2637 -12.3248 -17.2636 12.3766 -27.2092 -12.3248 -27.2091 -2.77558 GPRESSAVG: 1414400 17.3335 -18.5929 -9.98166 -14.2567 13.2966 -25.6667 -15.8034 -27.1591 -4.10468 TIMING: 1414400 CPU: 4100.12, 0.0029016/step Wall: 4100.12, 0.0029016/step, 2.88999 hours remaining, 209.074219 MB of memory in use. ENERGY: 1414400 747.8030 2077.9260 1923.6167 114.6364 -206091.5099 17663.7188 0.0000 0.0000 34451.6271 -149112.1818 300.8746 -183563.8088 -149014.6088 299.9590 -83.5231 -56.6197 556015.6722 8.6412 8.8418 PRESSURE: 1414600 -47.4238 -197.068 -88.1622 -197.068 -126.731 87.7566 -88.1616 87.7562 43.0637 GPRESSURE: 1414600 -19.7536 -245.191 -85.4119 -229.225 -89.0283 171.91 -0.710824 30.8265 77.2954 PRESSAVG: 1414600 -17.4687 16.4654 20.7739 16.4655 34.2985 -6.73419 20.7739 -6.73423 8.47095 GPRESSAVG: 1414600 -17.4311 19.6846 19.0807 12.9575 33.7257 -6.89921 22.1628 -5.59394 9.36153 TIMING: 1414600 CPU: 4100.7, 0.0029122/step Wall: 4100.7, 0.0029122/step, 2.90039 hours remaining, 209.074219 MB of memory in use. ENERGY: 1414600 754.6312 2110.2006 1905.3591 121.0251 -205850.8541 17706.8167 0.0000 0.0000 34127.1326 -149125.6889 298.0407 -183252.8214 -149035.1959 299.7406 -43.6969 -10.4955 558613.1973 8.4336 8.5521 PRESSURE: 1414800 -188.608 71.1046 -49.3293 71.1042 200.964 -15.7222 -49.3307 -15.7229 135.992 GPRESSURE: 1414800 -169.467 70.4505 -77.8713 131.607 285.26 0.887439 -41.0063 -32.4176 125.516 PRESSAVG: 1414800 -41.7621 20.5821 0.930985 20.582 36.0306 -35.1614 0.931057 -35.1613 3.11264 GPRESSAVG: 1414800 -42.0531 18.5101 0.184303 22.4315 37.1895 -35.4589 1.48297 -36.5435 2.09034 TIMING: 1414800 CPU: 4101.28, 0.00290272/step Wall: 4101.28, 0.00290272/step, 2.89079 hours remaining, 209.074219 MB of memory in use. ENERGY: 1414800 724.7709 2139.9024 1930.4965 117.4260 -206123.3321 17869.8251 0.0000 0.0000 34241.6612 -149099.2500 299.0409 -183340.9112 -148992.5423 299.5884 49.4496 80.4365 557373.8115 -0.8730 -0.9244 PRESSURE: 1415000 119.468 -83.8186 -5.09487 -83.8182 -108.095 -110.223 -5.09665 -110.224 -30.4114 GPRESSURE: 1415000 186.108 -17.9263 -15.3126 -129.243 -103.216 -116.274 73.0582 -113.546 -6.33013 PRESSAVG: 1415000 91.6528 -0.369944 -11.4716 -0.369922 -32.6514 -15.8675 -11.4717 -15.8675 -42.7165 GPRESSAVG: 1415000 93.5116 0.530455 -10.0059 -1.46845 -33.8688 -16.8506 -11.0306 -15.002 -43.835 TIMING: 1415000 CPU: 4101.86, 0.00291472/step Wall: 4101.86, 0.00291472/step, 2.90257 hours remaining, 209.074219 MB of memory in use. ENERGY: 1415000 765.2796 2112.8876 1939.7579 112.9592 -206091.2382 17801.9422 0.0000 0.0000 34401.0288 -148957.3829 300.4327 -183358.4117 -148858.8578 299.9799 -6.3462 25.5206 557695.7120 5.4283 5.2692 PRESSURE: 1415200 139.806 -32.3611 10.9467 -32.3613 -48.9817 -57.9189 10.9465 -57.9183 -139.575 GPRESSURE: 1415200 128.932 -77.4863 82.3374 46.3928 12.3917 8.41012 -30.2196 -46.7516 -83.2106 PRESSAVG: 1415200 23.6503 -9.96432 -18.1466 -9.96422 -26.4356 -48.1295 -18.1467 -48.1295 24.8645 GPRESSAVG: 1415200 20.9561 -12.1545 -18.7299 -7.02677 -25.7055 -49.4503 -20.3524 -48.7698 26.6544 TIMING: 1415200 CPU: 4102.45, 0.00292055/step Wall: 4102.45, 0.00292055/step, 2.90822 hours remaining, 209.074219 MB of memory in use. ENERGY: 1415200 767.2470 2129.4962 1930.4838 111.0126 -205871.4490 17711.4955 0.0000 0.0000 34278.8262 -148942.8877 299.3655 -183221.7139 -148844.6535 299.9733 -16.2504 19.3712 558077.2887 7.3597 7.3017 PRESSURE: 1415400 69.2997 -32.6859 -21.4825 -32.686 29.9941 -32.3633 -21.4834 -32.3618 130.741 GPRESSURE: 1415400 85.4991 -60.3989 52.8976 -73.5126 41.3988 -20.1146 -51.9958 -70.1161 212.02 PRESSAVG: 1415400 29.1371 -6.12201 -35.6983 -6.12201 -67.4056 -89.3536 -35.6983 -89.3537 49.4217 GPRESSAVG: 1415400 30.0148 -6.96102 -34.3554 -7.24427 -68.4946 -89.3152 -35.1105 -88.5681 50.014 TIMING: 1415400 CPU: 4103.02, 0.00288905/step Wall: 4103.02, 0.00288905/step, 2.87669 hours remaining, 209.074219 MB of memory in use. ENERGY: 1415400 776.9252 2115.0023 1953.3478 101.9416 -205816.3874 17812.5639 0.0000 0.0000 34188.9537 -148867.6528 298.5806 -183056.6065 -148773.3546 300.0182 76.6782 112.9727 557171.3795 3.7177 3.8447 PRESSURE: 1415600 2.04398 9.21778 -207.386 9.21806 -220.306 -106.358 -207.385 -106.357 -64.7315 GPRESSURE: 1415600 35.7897 49.154 -200.444 -48.3039 -205.474 -223.676 -177.834 6.80667 -27.6775 PRESSAVG: 1415600 -9.17803 -20.4413 -18.0338 -20.4413 -13.2737 -66.0656 -18.0339 -66.0656 31.5016 GPRESSAVG: 1415600 -10.1273 -17.8868 -19.0987 -21.116 -12.0832 -64.463 -16.4259 -65.217 31.2541 TIMING: 1415600 CPU: 4103.6, 0.00288903/step Wall: 4103.6, 0.00288903/step, 2.87651 hours remaining, 209.074219 MB of memory in use. ENERGY: 1415600 760.1712 2108.5163 1976.5955 117.0930 -205718.3301 17632.4396 0.0000 0.0000 34078.3194 -149045.1951 297.6144 -183123.5145 -148950.5934 299.9855 -94.3312 -65.7872 560220.0794 3.0166 3.0145 PRESSURE: 1415800 -7.14341 -133.48 -62.0702 -133.48 -149.332 -181.217 -62.0701 -181.216 -179.817 GPRESSURE: 1415800 28.0124 -97.8586 -19.1655 -142.443 -82.1708 -142.578 8.1878 -154.03 -176.211 PRESSAVG: 1415800 50.9248 -27.5889 10.771 -27.5887 -6.04881 -9.93159 10.771 -9.93153 39.044 GPRESSAVG: 1415800 51.7356 -27.2893 11.603 -28.5608 -5.40995 -8.78576 10.8829 -12.7923 37.3536 TIMING: 1415800 CPU: 4104.18, 0.00289479/step Wall: 4104.18, 0.00289479/step, 2.88208 hours remaining, 209.074219 MB of memory in use. ENERGY: 1415800 735.9765 2149.3150 1959.8890 120.3457 -205932.2532 17601.5360 0.0000 0.0000 34339.7044 -149025.4867 299.8972 -183365.1910 -148927.4580 299.7298 -112.0976 -76.7899 558000.6391 27.9733 27.8931 PRESSURE: 1416000 160.501 10.5888 -2.72635 10.5884 -127.572 -16.5931 -2.72762 -16.5929 -317.856 GPRESSURE: 1416000 121.388 -17.0221 5.85641 -7.30519 -73.5117 -27.9196 72.2275 -6.81947 -226.987 PRESSAVG: 1416000 -20.9723 6.38362 -42.2199 6.38357 32.8105 -88.5354 -42.22 -88.5354 1.20794 GPRESSAVG: 1416000 -22.7535 5.19833 -43.2013 6.34702 32.1989 -89.8696 -43.899 -86.8898 4.25387 TIMING: 1416000 CPU: 4104.76, 0.00290542/step Wall: 4104.76, 0.00290542/step, 2.89251 hours remaining, 209.074219 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: 1416000 769.1815 2101.4507 1917.8685 104.0045 -206108.4138 17827.1203 0.0000 0.0000 34291.5342 -149097.2542 299.4765 -183388.7884 -149003.9920 299.9429 -94.9756 -59.7038 557274.3410 4.3487 4.5664 PRESSURE: 1416200 -35.3961 -10.5115 -162.395 -10.5129 127.466 63.3999 -162.396 63.4007 106.007 GPRESSURE: 1416200 56.1984 50.4302 -176.575 -17.601 158.686 101.237 -108.517 66.4971 80.5224 PRESSAVG: 1416200 -21.4 38.6008 -4.85531 38.6008 -17.5986 18.6679 -4.85534 18.668 47.2368 GPRESSAVG: 1416200 -19.2911 39.4664 -5.8177 40.0324 -19.2291 18.1245 -3.67087 17.9718 47.0012 TIMING: 1416200 CPU: 4105.34, 0.00290955/step Wall: 4105.34, 0.00290955/step, 2.89646 hours remaining, 209.074219 MB of memory in use. ENERGY: 1416200 717.8615 2112.9282 1959.9835 110.6321 -206209.9002 17758.1820 0.0000 0.0000 34543.9872 -149006.3258 301.6812 -183550.3129 -148912.6701 299.7609 66.0258 98.4688 555664.7575 2.7461 2.8270 LDB: ============= START OF LOAD BALANCING ============== 4108.73 LDB: ============== END OF LOAD BALANCING =============== 4108.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4108.73 LDB: ============= START OF LOAD BALANCING ============== 4109.02 LDB: Largest compute 4822 load 0.022946 is 19.5% of average load 0.117976 LDB: Average compute 0.001719 is 1.5% of average load 0.117976 LDB: TIME 4109.03 LOAD: AVG 0.117976 MAX 0.186067 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 4109.03 LOAD: AVG 0.117976 MAX 0.186067 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: TIME 4109.03 LOAD: AVG 0.117976 MAX 0.186067 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: ============== END OF LOAD BALANCING =============== 4109.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4109.03 PRESSURE: 1416400 68.4833 -15.8685 102.747 -15.8687 251.429 229.112 102.748 229.112 -151.765 GPRESSURE: 1416400 77.3806 2.499 95.929 32.3524 277.624 188.735 179.823 140.643 -89.5801 PRESSAVG: 1416400 -25.4924 -29.534 4.79986 -29.5339 99.5348 42.4315 4.79989 42.4314 -50.6872 GPRESSAVG: 1416400 -26.1798 -29.3393 4.58092 -30.8817 101.396 40.3436 6.26221 45.0162 -51.6228 TIMING: 1416400 CPU: 4105.94, 0.00297203/step Wall: 4105.94, 0.00297203/step, 2.95849 hours remaining, 209.382812 MB of memory in use. ENERGY: 1416400 734.8976 2049.2207 1928.8233 114.3464 -206039.4506 17984.5487 0.0000 0.0000 34247.5002 -148980.1137 299.0919 -183227.6139 -148884.5757 299.8882 56.0491 88.4747 557668.8487 7.7851 7.8644 PRESSURE: 1416600 102.409 -106.233 -72.8001 -106.232 -32.9814 -192.342 -72.8008 -192.344 -36.2191 GPRESSURE: 1416600 133.656 -33.9566 -87.6562 -177.221 19.9723 -91.2743 12.1189 -221.134 -15.8101 PRESSAVG: 1416600 -54.3811 -31.7075 -18.6827 -31.7075 55.2902 -14.9423 -18.6827 -14.9424 -10.0051 GPRESSAVG: 1416600 -53.6359 -31.1051 -17.1106 -33.3065 55.7361 -12.8592 -20.5404 -16.1044 -10.8485 TIMING: 1416600 CPU: 4106.52, 0.00289893/step Wall: 4106.52, 0.00289893/step, 2.88556 hours remaining, 209.453125 MB of memory in use. ENERGY: 1416600 782.4286 2096.5870 1942.6411 109.6944 -205908.9640 17795.8978 0.0000 0.0000 34285.4484 -148896.2668 299.4233 -183181.7152 -148810.5234 299.5447 11.0694 45.9395 557392.7791 -3.0320 -2.9161 PRESSURE: 1416800 -165.193 -96.9319 -5.55703 -96.9316 72.5342 151.808 -5.5567 151.809 200.493 GPRESSURE: 1416800 -129.12 -154.831 66.6249 -106.122 80.9923 143.549 -26.7994 100.482 245.101 PRESSAVG: 1416800 -35.4839 -6.98857 -18.4226 -6.98857 58.7521 15.6532 -18.4225 15.6532 -2.99934 GPRESSAVG: 1416800 -34.9483 -6.56411 -17.1362 -6.56939 57.8775 14.6635 -18.9467 16.0695 -2.98274 TIMING: 1416800 CPU: 4107.09, 0.00287637/step Wall: 4107.09, 0.00287637/step, 2.86295 hours remaining, 209.453125 MB of memory in use. ENERGY: 1416800 719.8771 2051.5318 1927.7410 126.4325 -206021.6041 17787.7487 0.0000 0.0000 34258.6444 -149149.6287 299.1893 -183408.2730 -149053.6955 300.1444 35.9446 65.6576 556147.0420 6.7563 6.6488 PRESSURE: 1417000 25.4747 -45.6704 41.1278 -45.6708 96.2693 154.014 41.1287 154.013 -11.5913 GPRESSURE: 1417000 67.2671 -20.5042 12.0835 -69.1263 127.691 207.29 7.44752 81.7906 18.753 PRESSAVG: 1417000 -56.6846 7.81206 -38.0741 7.81203 28.0723 19.3826 -38.0741 19.3827 -11.424 GPRESSAVG: 1417000 -56.8996 7.48058 -40.6806 7.9684 27.5449 21.2488 -35.8567 21.0053 -10.9161 TIMING: 1417000 CPU: 4107.67, 0.00290461/step Wall: 4107.67, 0.00290461/step, 2.89089 hours remaining, 209.453125 MB of memory in use. ENERGY: 1417000 760.8732 2072.4509 1955.7687 104.3120 -206079.7394 17816.3793 0.0000 0.0000 34184.0063 -149185.9491 298.5374 -183369.9554 -149089.5194 299.6510 36.7176 71.2371 557958.4589 -13.3454 -13.4236 PRESSURE: 1417200 -44.7412 117.772 0.00284265 117.772 -179.001 -63.5491 0.00306807 -63.5492 -326.43 GPRESSURE: 1417200 -19.7867 196.143 36.4753 41.7086 -101.417 -101.935 26.0077 38.7924 -323.103 PRESSAVG: 1417200 0.24718 1.90666 -55.8545 1.90661 10.9628 47.3865 -55.8544 47.3864 -22.1178 GPRESSAVG: 1417200 0.793769 2.53845 -53.6581 1.74108 11.5159 46.9754 -57.9428 44.7918 -22.5361 TIMING: 1417200 CPU: 4108.25, 0.0028912/step Wall: 4108.25, 0.0028912/step, 2.87739 hours remaining, 209.453125 MB of memory in use. ENERGY: 1417200 746.5574 2093.6279 1937.5301 100.3946 -205516.5315 17290.5809 0.0000 0.0000 34221.2799 -149126.5607 298.8629 -183347.8406 -149029.1362 299.4741 -183.3907 -148.1022 558690.8062 -3.6359 -3.4088 PRESSURE: 1417400 38.0249 46.3381 66.3334 46.3375 104.025 -69.865 66.3334 -69.8632 -55.9476 GPRESSURE: 1417400 92.7524 52.9633 32.6179 22.8162 95.7088 -13.4848 162.784 -69.2123 -12.1704 PRESSAVG: 1417400 -7.98039 -38.6952 -15.2396 -38.6951 25.4482 34.2418 -15.2396 34.2418 17.0517 GPRESSAVG: 1417400 -8.98529 -39.3084 -15.0846 -38.8632 26.6946 32.6462 -14.6563 35.3161 16.4517 TIMING: 1417400 CPU: 4108.83, 0.00287769/step Wall: 4108.83, 0.00287769/step, 2.86378 hours remaining, 209.453125 MB of memory in use. ENERGY: 1417400 761.9997 2094.0761 1921.1390 106.4479 -206345.0737 17996.7198 0.0000 0.0000 34419.0840 -149045.6071 300.5904 -183464.6912 -148954.1189 299.9381 28.7007 58.7636 558594.4489 11.5065 11.3870 PRESSURE: 1417600 -364.815 -140.469 -130.926 -140.468 -243.956 -23.1633 -130.926 -23.1647 -73.1891 GPRESSURE: 1417600 -323.56 -186.216 -169.901 -85.1528 -219.837 13.6475 -41.1804 -82.7222 -33.6119 PRESSAVG: 1417600 -32.5192 -53.4273 -18.1257 -53.4274 30.5712 20.6538 -18.1256 20.6538 -12.3724 GPRESSAVG: 1417600 -30.8115 -52.5162 -21.7955 -53.0013 29.0257 20.4068 -17.0227 20.6508 -12.1229 TIMING: 1417600 CPU: 4109.4, 0.0028874/step Wall: 4109.4, 0.0028874/step, 2.87328 hours remaining, 209.453125 MB of memory in use. ENERGY: 1417600 734.5637 2048.9275 1932.7702 107.4361 -205699.2152 17478.3347 0.0000 0.0000 34328.2657 -149068.9174 299.7973 -183397.1831 -148969.5703 300.2600 -227.3200 -192.3364 559551.0836 -4.7735 -4.6363 PRESSURE: 1417800 -66.6753 49.7904 2.80819 49.7905 110.439 78.8753 2.80804 78.8765 135.318 GPRESSURE: 1417800 -39.8858 43.4323 45.7212 147.202 164.632 33.492 19.8843 13.7391 141.584 PRESSAVG: 1417800 -73.3677 -2.56919 -16.0613 -2.56918 24.0702 -11.0876 -16.0613 -11.0876 36.8446 GPRESSAVG: 1417800 -75.4893 -3.94742 -13.5243 -2.60117 25.626 -7.75689 -17.6454 -12.9213 37.293 TIMING: 1417800 CPU: 4109.98, 0.00288783/step Wall: 4109.98, 0.00288783/step, 2.87355 hours remaining, 209.453125 MB of memory in use. ENERGY: 1417800 710.9501 2149.0600 1909.8647 112.3427 -206108.5203 17933.6193 0.0000 0.0000 34207.3872 -149085.2962 298.7416 -183292.6834 -148986.1538 299.9556 59.6939 88.7767 559071.4143 -4.1510 -4.1901 PRESSURE: 1418000 -291.682 -110.877 -63.7125 -110.877 -246.405 -114.285 -63.7128 -114.283 74.6812 GPRESSURE: 1418000 -264.603 -110.311 4.1593 -97.7861 -228.375 -74.4602 -100.702 -83.2671 143.76 PRESSAVG: 1418000 54.4749 -45.1206 36.2254 -45.1206 -42.562 1.0061 36.2254 1.00605 13.4184 GPRESSAVG: 1418000 56.3045 -46.4477 34.7679 -44.096 -43.9876 -0.993431 38.7276 2.94212 13.0774 TIMING: 1418000 CPU: 4110.57, 0.00291769/step Wall: 4110.57, 0.00291769/step, 2.9031 hours remaining, 209.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1418000 728.6567 2101.9678 1900.1445 114.6881 -206013.9479 17679.3511 0.0000 0.0000 34456.9704 -149032.1693 300.9213 -183489.1397 -148938.0574 299.6479 -154.4683 -116.4063 558258.4410 8.4438 8.4648 PRESSURE: 1418200 87.8881 -60.7686 87.0204 -60.7696 -292.594 186.962 87.0204 186.961 -252.182 GPRESSURE: 1418200 110.185 -26.575 107.337 -67.4885 -202.181 173.677 81.7645 131.676 -266.087 PRESSAVG: 1418200 -41.7118 -49.6397 47.5322 -49.6398 9.96825 -27.2885 47.5323 -27.2885 35.3702 GPRESSAVG: 1418200 -43.3502 -48.818 46.4068 -49.4839 11.6945 -26.3028 47.3764 -28.2247 35.594 TIMING: 1418200 CPU: 4111.15, 0.00290999/step Wall: 4111.15, 0.00290999/step, 2.89528 hours remaining, 209.453125 MB of memory in use. ENERGY: 1418200 711.8921 2157.0324 1922.1377 102.1846 -206215.7305 17762.7139 0.0000 0.0000 34562.6019 -148997.1680 301.8438 -183559.7699 -148904.5440 299.3909 -152.2961 -119.3610 558370.6955 1.2089 1.3128 PRESSURE: 1418400 123.849 -40.8998 4.9224 -40.8996 241.876 61.8886 4.92327 61.887 308.838 GPRESSURE: 1418400 153.584 63.3397 113.079 -57.244 243.67 99.0973 25.2374 40.8759 371.289 PRESSAVG: 1418400 -13.0585 -57.2501 62.3083 -57.2502 18.8813 14.8424 62.3083 14.8424 47.088 GPRESSAVG: 1418400 -12.0491 -56.4486 65.6376 -58.6724 18.9487 15.0652 59.1145 15.4485 46.3612 TIMING: 1418400 CPU: 4111.73, 0.0029293/step Wall: 4111.73, 0.0029293/step, 2.91433 hours remaining, 209.453125 MB of memory in use. ENERGY: 1418400 732.0996 2039.9141 1934.0004 122.0039 -206253.8078 17985.1510 0.0000 0.0000 34359.1460 -149081.4928 300.0670 -183440.6389 -148993.7022 300.0115 224.8545 256.1810 557328.5976 17.6369 17.7536 PRESSURE: 1418600 -138.851 108.724 -78.0732 108.725 -357.01 -60.2705 -78.0734 -60.2717 -235.771 GPRESSURE: 1418600 -145.143 191.903 -124.373 23.0013 -280.693 -53.7149 -170.421 -68.6605 -208.68 PRESSAVG: 1418600 -43.6243 -9.29793 6.16319 -9.29789 -5.43842 27.6686 6.16317 27.6686 52.5974 GPRESSAVG: 1418600 -44.0738 -8.54443 3.65515 -8.24524 -6.5433 25.3757 6.3995 26.575 54.412 TIMING: 1418600 CPU: 4112.32, 0.00290946/step Wall: 4112.32, 0.00290946/step, 2.89443 hours remaining, 209.453125 MB of memory in use. ENERGY: 1418600 787.2852 2096.1747 1945.1950 103.6006 -205775.6458 17586.3946 0.0000 0.0000 34012.8175 -149244.1781 297.0424 -183256.9957 -149141.3821 299.2639 -243.8775 -211.5053 557610.9153 1.1782 1.2650 PRESSURE: 1418800 217.764 -21.0882 85.5096 -21.0887 -12.7057 46.4201 85.5089 46.4193 47.8436 GPRESSURE: 1418800 279.571 -89.225 149.358 -6.35806 -7.36745 129.905 35.1532 7.76833 81.7615 PRESSAVG: 1418800 11.9511 56.0138 -22.6898 56.0138 34.4087 10.9152 -22.6897 10.9152 -30.4449 GPRESSAVG: 1418800 11.8042 55.2062 -22.9473 56.4708 35.1553 12.8509 -21.5174 11.6631 -30.1289 TIMING: 1418800 CPU: 4112.9, 0.00291498/step Wall: 4112.9, 0.00291498/step, 2.89976 hours remaining, 209.453125 MB of memory in use. ENERGY: 1418800 773.2306 2114.9816 1904.1065 120.8252 -206336.7170 18045.7199 0.0000 0.0000 34159.3874 -149218.4658 298.3224 -183377.8532 -149127.9847 298.9903 84.3006 117.9884 556791.8762 5.3050 5.6102 PRESSURE: 1419000 -250.261 -117.642 -49.232 -117.643 -342.292 263.346 -49.2325 263.348 -60.8916 GPRESSURE: 1419000 -218.982 -27.919 -36.2377 -176.764 -290.841 200.675 -57.495 202.142 -46.7054 PRESSAVG: 1419000 29.353 22.1703 -58.4957 22.1702 17.398 -16.4461 -58.4958 -16.4461 -6.26296 GPRESSAVG: 1419000 29.5352 21.9767 -56.4074 21.4636 17.9308 -17.451 -59.451 -17.0596 -7.81843 TIMING: 1419000 CPU: 4113.48, 0.00289787/step Wall: 4113.48, 0.00289787/step, 2.88258 hours remaining, 209.453125 MB of memory in use. ENERGY: 1419000 778.9762 2093.0314 1929.0807 107.9643 -205938.6923 17375.0467 0.0000 0.0000 34360.9938 -149293.5992 300.0831 -183654.5930 -149194.8331 298.9974 -217.8148 -185.5095 557874.6858 13.4960 13.2159 PRESSURE: 1419200 -3.01352 -61.1431 -159.691 -61.1438 -55.0392 26.8204 -159.692 26.8219 -24.1431 GPRESSURE: 1419200 27.1325 -67.9346 -172.18 -83.8422 -1.65786 22.9043 -127.07 24.1437 -3.79701 PRESSAVG: 1419200 -63.0095 -48.5765 -31.943 -48.5764 55.3543 16.1368 -31.943 16.1369 28.2376 GPRESSAVG: 1419200 -63.0649 -47.1712 -31.9011 -48.6735 54.4291 15.3836 -31.1025 17.4732 29.3266 TIMING: 1419200 CPU: 4114.06, 0.00290948/step Wall: 4114.06, 0.00290948/step, 2.89396 hours remaining, 209.453125 MB of memory in use. ENERGY: 1419200 731.1166 2086.1026 1937.1028 112.5108 -206094.7274 17666.7058 0.0000 0.0000 34197.1420 -149364.0469 298.6521 -183561.1889 -149272.3373 298.4746 -27.3986 7.2259 557144.2738 6.8608 6.8969 PRESSURE: 1419400 -10.8603 -108.837 -12.8582 -108.837 -22.2633 -71.6305 -12.8587 -71.6308 -2.04684 GPRESSURE: 1419400 92.908 -106.788 87.0973 -68.6421 -32.4935 -67.4843 -50.5837 -100.993 10.5598 PRESSAVG: 1419400 7.49744 14.1367 19.5316 14.1367 75.4031 58.9623 19.5315 58.9624 -82.3535 GPRESSAVG: 1419400 8.06458 13.35 20.6579 13.4769 75.8372 59.9244 17.5903 56.3672 -83.2934 TIMING: 1419400 CPU: 4114.65, 0.00293289/step Wall: 4114.65, 0.00293289/step, 2.91709 hours remaining, 209.453125 MB of memory in use. ENERGY: 1419400 757.6107 2084.4111 1938.8721 123.6759 -206368.9238 17788.4186 0.0000 0.0000 34300.1204 -149375.8149 299.5515 -183675.9353 -149276.6253 298.8032 -11.7235 23.6581 556641.4932 0.1824 0.2028 PRESSURE: 1419600 320.841 21.2863 -78.4049 21.2857 321.173 -156.865 -78.4057 -156.864 -62.6714 GPRESSURE: 1419600 373.874 67.4594 -138.277 -20.0824 356.897 -69.5171 -29.0276 -109.696 -53.0561 PRESSAVG: 1419600 9.31531 -33.8413 10.9026 -33.8412 -4.74752 33.2157 10.9026 33.2157 -4.64095 GPRESSAVG: 1419600 9.37672 -33.4358 8.58538 -32.2487 -5.76455 33.4118 13.4295 34.8097 -3.55219 TIMING: 1419600 CPU: 4115.23, 0.00292888/step Wall: 4115.23, 0.00292888/step, 2.91293 hours remaining, 209.453125 MB of memory in use. ENERGY: 1419600 719.6083 2182.4965 1937.0411 117.8649 -206892.9203 18063.8433 0.0000 0.0000 34433.7445 -149438.3218 300.7185 -183872.0663 -149339.2744 298.8097 193.1141 225.9052 554926.2075 -0.0244 0.0200 PRESSURE: 1419800 19.4106 89.5924 -39.2067 89.5921 -113.846 214.741 -39.2063 214.741 24.3918 GPRESSURE: 1419800 17.1906 125.99 24.2427 15.2095 -52.3213 215.622 -90.0961 161.556 51.3811 PRESSAVG: 1419800 50.5158 0.523759 23.8074 0.523843 -30.2924 8.45448 23.8074 8.45448 -79.845 GPRESSAVG: 1419800 51.8189 1.00444 23.3052 0.356785 -29.8876 9.44824 22.9576 10.0085 -80.818 TIMING: 1419800 CPU: 4115.82, 0.00291999/step Wall: 4115.82, 0.00291999/step, 2.90393 hours remaining, 209.453125 MB of memory in use. ENERGY: 1419800 776.4778 2040.2327 1964.1275 119.9666 -206325.1212 17735.0040 0.0000 0.0000 34049.7767 -149639.5359 297.3652 -183689.3125 -149542.5014 298.2043 -23.3479 5.4168 556654.7839 -19.8739 -19.6289 PRESSURE: 1420000 36.3542 136.271 32.036 136.273 -87.4613 -105.934 32.0372 -105.933 -18.3874 GPRESSURE: 1420000 77.4723 179.64 20.5663 96.3855 -54.1782 -83.3301 -3.4054 -129.919 3.77826 PRESSAVG: 1420000 36.1626 20.2016 57.4676 20.2015 4.5254 49.8101 57.4676 49.8103 -17.144 GPRESSAVG: 1420000 35.3555 19.4612 57.6506 18.9621 4.70892 48.7114 56.1439 48.9282 -16.8064 TIMING: 1420000 CPU: 4116.4, 0.00291776/step Wall: 4116.4, 0.00291776/step, 2.90155 hours remaining, 209.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1420000 729.1340 2055.1327 1937.3297 121.6616 -206565.3346 17824.8741 0.0000 0.0000 34409.0557 -149488.1468 300.5028 -183897.2025 -149387.2969 298.2187 -23.1648 9.0242 556833.1880 7.8480 7.7527 PRESSURE: 1420200 -253.949 -96.7286 -14.1725 -96.728 -161.197 60.003 -14.1728 60.0036 -167.595 GPRESSURE: 1420200 -229.728 -60.3443 -38.0352 -147.153 -111.347 73.1398 -33.3354 61.3181 -138.018 PRESSAVG: 1420200 26.1417 32.7104 27.5029 32.7103 -43.6794 53.2093 27.503 53.2093 33.8398 GPRESSAVG: 1420200 26.6364 32.2115 28.6384 33.7505 -42.7107 52.358 26.6233 54.7111 32.3987 TIMING: 1420200 CPU: 4116.98, 0.00289634/step Wall: 4116.98, 0.00289634/step, 2.88009 hours remaining, 209.453125 MB of memory in use. ENERGY: 1420200 776.0349 2064.2932 1954.6642 108.8436 -205995.9883 17456.2218 0.0000 0.0000 34310.1370 -149325.7936 299.6390 -183635.9306 -149232.0203 298.7850 -194.2469 -159.6974 555063.1788 5.4340 5.4415 LDB: ============= START OF LOAD BALANCING ============== 4120.36 LDB: ============== END OF LOAD BALANCING =============== 4120.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4120.37 LDB: ============= START OF LOAD BALANCING ============== 4120.66 LDB: Largest compute 4801 load 0.022903 is 19.4% of average load 0.117899 LDB: Average compute 0.001720 is 1.5% of average load 0.117899 LDB: TIME 4120.66 LOAD: AVG 0.117899 MAX 0.182681 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.391 MB LDB: TIME 4120.66 LOAD: AVG 0.117899 MAX 0.182681 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.391 MB LDB: TIME 4120.66 LOAD: AVG 0.117899 MAX 0.182681 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4120.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4120.66 PRESSURE: 1420400 -275.752 -63.8907 70.6147 -63.8893 175.021 8.92966 70.6144 8.92935 -91.5581 GPRESSURE: 1420400 -219.261 -109.978 117.866 -76.8829 198.634 7.11582 36.7002 15.1336 -77.0471 PRESSAVG: 1420400 -79.0135 -33.0392 25.6232 -33.0392 94.3508 7.65326 25.6232 7.65322 -50.3656 GPRESSAVG: 1420400 -78.7842 -34.0774 25.2377 -31.1654 93.1448 9.65041 28.9566 4.89558 -49.2948 TIMING: 1420400 CPU: 4117.57, 0.00294914/step Wall: 4117.57, 0.00294914/step, 2.93243 hours remaining, 208.160156 MB of memory in use. ENERGY: 1420400 735.5390 2085.6976 1931.9421 116.9600 -206016.0246 17639.8997 0.0000 0.0000 34228.9182 -149277.0681 298.9297 -183505.9863 -149178.2351 299.5101 -64.0962 -32.5580 556868.5608 -11.6761 -11.6447 PRESSURE: 1420600 -132.875 166.367 -187.587 166.367 -158.905 112.466 -187.586 112.467 46.8751 GPRESSURE: 1420600 -169.873 118.326 -190.957 156.211 -52.12 139.921 -106.469 54.6225 68.6316 PRESSAVG: 1420600 -30.3039 -30.6641 5.32202 -30.6641 26.7127 -6.84702 5.32206 -6.84708 21.7666 GPRESSAVG: 1420600 -31.9402 -29.6541 4.25918 -32.4515 27.9991 -5.3471 5.37095 -7.81018 21.8965 TIMING: 1420600 CPU: 4118.15, 0.0029101/step Wall: 4118.15, 0.0029101/step, 2.89345 hours remaining, 208.160156 MB of memory in use. ENERGY: 1420600 777.2683 2152.7236 1960.5089 115.5403 -206724.3856 17928.2101 0.0000 0.0000 34291.0451 -149499.0893 299.4722 -183790.1344 -149403.2983 299.1145 -81.6348 -51.1205 557165.6736 6.0585 5.9851 PRESSURE: 1420800 146.071 58.0037 -32.0283 58.0027 -4.65387 29.3382 -32.0284 29.337 242.547 GPRESSURE: 1420800 173.862 48.1166 -102.28 72.2692 33.291 -44.818 -33.4952 117.243 282.549 PRESSAVG: 1420800 56.64 30.475 -59.0583 30.475 1.82054 -3.4249 -59.0583 -3.425 -35.8462 GPRESSAVG: 1420800 57.0902 30.5701 -58.5827 31.8959 1.02638 -8.57684 -59.3284 -2.98889 -35.677 TIMING: 1420800 CPU: 4118.73, 0.00290921/step Wall: 4118.73, 0.00290921/step, 2.8924 hours remaining, 208.160156 MB of memory in use. ENERGY: 1420800 765.4935 2058.0613 1939.7548 105.7908 -206557.3548 18026.0507 0.0000 0.0000 34166.7499 -149495.4539 298.3867 -183662.2037 -149396.1109 298.8056 127.9879 163.2340 556052.6609 7.5381 7.4799 PRESSURE: 1421000 -196.715 -83.0133 -39.3506 -83.0143 120.02 146.297 -39.3507 146.297 93.7592 GPRESSURE: 1421000 -120.163 -56.9527 -65.7069 -85.8908 154.527 120.347 -63.9862 139.058 84.6303 PRESSAVG: 1421000 8.6808 14.3563 -18.1416 14.3563 -23.1728 2.71003 -18.1414 2.70995 4.75394 GPRESSAVG: 1421000 9.8089 14.1684 -20.3652 12.6685 -22.9865 3.91111 -19.0369 6.06973 2.93033 TIMING: 1421000 CPU: 4119.31, 0.00289497/step Wall: 4119.31, 0.00289497/step, 2.87809 hours remaining, 208.160156 MB of memory in use. ENERGY: 1421000 752.3856 2112.0150 1932.2955 109.7002 -206576.5602 17777.9555 0.0000 0.0000 34364.4578 -149527.7506 300.1134 -183892.2084 -149437.5669 298.2729 5.6881 39.6648 556270.4189 -3.2460 -3.4157 PRESSURE: 1421200 -32.7505 -223.401 128.737 -223.4 -18.1807 -132.244 128.738 -132.244 -283.397 GPRESSURE: 1421200 -13.5501 -230.058 168.724 -249.054 15.9792 -114.223 72.8669 -54.9465 -228.538 PRESSAVG: 1421200 27.3784 -104.649 2.81926 -104.649 21.9392 -22.1132 2.81932 -22.1132 -40.904 GPRESSAVG: 1421200 25.7693 -103.662 4.82643 -104.009 22.1439 -21.9011 1.49886 -23.2574 -39.758 TIMING: 1421200 CPU: 4119.89, 0.00289239/step Wall: 4119.89, 0.00289239/step, 2.87536 hours remaining, 208.160156 MB of memory in use. ENERGY: 1421200 752.5359 2095.1879 1947.2888 108.6694 -206711.1057 17739.8374 0.0000 0.0000 34442.5224 -149625.0639 300.7951 -184067.5863 -149525.3308 298.2476 -111.4427 -75.3697 555942.3977 2.8045 2.7184 PRESSURE: 1421400 -233.613 -29.5441 -147.548 -29.5437 -119.731 3.61757 -147.549 3.6178 -264.197 GPRESSURE: 1421400 -250.035 -18.5415 -161.781 -100.864 -50.074 17.7253 -71.2935 -46.9741 -237.753 PRESSAVG: 1421400 -39.7157 -5.6535 -36.159 -5.65351 0.0655316 8.34737 -36.159 8.34732 34.0338 GPRESSAVG: 1421400 -39.079 -5.72099 -36.5785 -3.94282 0.0138809 10.3105 -33.6617 6.73501 33.6578 TIMING: 1421400 CPU: 4120.47, 0.00289559/step Wall: 4120.47, 0.00289559/step, 2.87838 hours remaining, 208.160156 MB of memory in use. ENERGY: 1421400 753.1157 2074.8554 1942.0919 124.2940 -206199.0681 17659.9583 0.0000 0.0000 34136.8331 -149507.9196 298.1255 -183644.7527 -149410.6921 299.1268 -205.8470 -179.2874 556246.7440 -1.8721 -1.8024 PRESSURE: 1421600 33.2396 70.2006 89.9771 70.2 -129.078 -119.786 89.9774 -119.786 52.5069 GPRESSURE: 1421600 23.0582 132.458 123.475 91.7132 -89.3471 -218.583 -42.9954 -166.769 126.69 PRESSAVG: 1421600 -7.01553 -8.69359 1.40218 -8.69359 -65.8967 -20.9249 1.40214 -20.9249 66.3295 GPRESSAVG: 1421600 -7.21759 -10.8589 2.03461 -8.21521 -65.7314 -22.8778 -2.98204 -18.5736 66.2123 TIMING: 1421600 CPU: 4121.05, 0.002892/step Wall: 4121.05, 0.002892/step, 2.87465 hours remaining, 208.160156 MB of memory in use. ENERGY: 1421600 762.6531 2106.5290 1954.1262 117.7305 -206104.3531 17679.1597 0.0000 0.0000 34259.0262 -149225.1284 299.1926 -183484.1546 -149123.9841 299.1049 -14.4439 20.1337 557043.7996 -2.1942 -2.2456 PRESSURE: 1421800 -32.3576 -55.9483 17.9872 -55.9478 -267.835 -145.592 17.9877 -145.595 -283.721 GPRESSURE: 1421800 30.2332 -63.7546 -16.152 -73.7452 -234.962 -72.8081 20.8965 -147.911 -273.85 PRESSAVG: 1421800 50.8777 -36.5866 -26.4994 -36.5867 -66.1836 -12.6914 -26.4993 -12.6914 55.8231 GPRESSAVG: 1421800 51.2751 -35.0274 -27.0602 -39.4116 -65.8296 -11.6757 -23.695 -13.5099 55.8938 TIMING: 1421800 CPU: 4121.63, 0.00288948/step Wall: 4121.63, 0.00288948/step, 2.87198 hours remaining, 208.160156 MB of memory in use. ENERGY: 1421800 747.7556 2068.8714 1931.2938 104.4197 -205812.8223 17604.0015 0.0000 0.0000 34096.9109 -149259.5694 297.7768 -183356.4803 -149160.4556 298.8350 -194.6380 -159.5263 558342.8430 13.5057 13.7798 PRESSURE: 1422000 -206.785 10.1984 -45.971 10.1986 66.7639 -61.7476 -45.97 -61.7476 61.403 GPRESSURE: 1422000 -197.829 61.637 -54.1241 48.9288 138.69 -107.819 -40.4507 52.1869 75.0527 PRESSAVG: 1422000 -36.1541 -0.105598 -64.219 -0.105585 -16.9247 -6.3381 -64.2189 -6.338 39.5789 GPRESSAVG: 1422000 -35.646 -0.436107 -63.6464 0.606643 -17.2527 -3.71856 -63.4959 -8.54351 39.3214 TIMING: 1422000 CPU: 4122.21, 0.00290757/step Wall: 4122.21, 0.00290757/step, 2.8898 hours remaining, 208.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1422000 750.4104 2089.9353 1962.3374 101.3421 -206205.8825 18038.7645 0.0000 0.0000 33951.9578 -149311.1348 296.5109 -183263.0926 -149216.4791 298.2829 -26.2059 5.3045 559430.9723 -4.5000 -4.5258 PRESSURE: 1422200 -38.4613 -218.779 56.3601 -218.78 146.216 -183.239 56.359 -183.24 -60.5765 GPRESSURE: 1422200 14.343 -187.6 -1.50124 -191.022 119.67 -216.086 17.3331 -185.991 3.6139 PRESSAVG: 1422200 58.7196 -40.1328 -54.4015 -40.1329 -103.079 -14.5538 -54.4015 -14.5538 66.2209 GPRESSAVG: 1422200 58.5767 -41.2801 -54.0104 -37.7529 -104.249 -15.5113 -55.2807 -13.6501 67.2414 TIMING: 1422200 CPU: 4122.78, 0.00288555/step Wall: 4122.78, 0.00288555/step, 2.86775 hours remaining, 208.230469 MB of memory in use. ENERGY: 1422200 736.0896 2074.0870 1968.2898 125.1252 -206524.5969 18153.1345 0.0000 0.0000 33962.0755 -149505.7954 296.5993 -183467.8708 -149412.7527 298.5778 15.7260 45.8755 559232.3917 7.2872 7.1897 PRESSURE: 1422400 -35.5697 30.0597 75.6493 30.0584 -152.61 33.6547 75.651 33.655 231.357 GPRESSURE: 1422400 -30.6804 -14.8543 117.944 32.426 -94.7497 -6.53253 -32.9966 85.409 259.015 PRESSAVG: 1422400 -24.139 -19.2615 -11.7394 -19.2616 -75.709 37.0022 -11.7393 37.0021 84.1074 GPRESSAVG: 1422400 -25.6039 -20.197 -11.9925 -18.8209 -74.2976 35.5533 -12.4307 38.0206 84.6021 TIMING: 1422400 CPU: 4123.36, 0.00290028/step Wall: 4123.36, 0.00290028/step, 2.88224 hours remaining, 208.429688 MB of memory in use. ENERGY: 1422400 715.9787 2140.2585 1948.6250 116.8835 -206656.0343 18056.2952 0.0000 0.0000 34189.7734 -149488.2199 298.5878 -183677.9933 -149390.7835 298.3471 14.3924 44.5284 558381.9015 -5.2468 -5.0998 PRESSURE: 1422600 -177.508 -67.8332 -52.9618 -67.8332 -363.379 62.3622 -52.9617 62.362 -12.5282 GPRESSURE: 1422600 -109.921 -120.056 -42.6788 -71.6571 -304.619 124.755 -103.657 36.6776 -47.2967 PRESSAVG: 1422600 24.4799 -0.0979874 36.4634 -0.0979556 -52.5013 47.0478 36.4634 47.0478 14.5771 GPRESSAVG: 1422600 25.6972 0.323828 37.6768 -1.57346 -53.3031 47.6488 36.4874 46.4844 14.0272 TIMING: 1422600 CPU: 4123.95, 0.00290751/step Wall: 4123.95, 0.00290751/step, 2.88926 hours remaining, 208.429688 MB of memory in use. ENERGY: 1422600 761.6239 2070.1013 1970.3597 109.9717 -206155.8938 17616.8466 0.0000 0.0000 34087.1743 -149539.8163 297.6918 -183626.9907 -149444.6359 298.4178 -184.4718 -153.9453 557152.2651 -4.4814 -4.5262 PRESSURE: 1422800 -101.535 -87.6197 121.623 -87.6201 139.737 22.4381 121.623 22.4369 -47.974 GPRESSURE: 1422800 -66.3206 -46.0222 126.542 -142.095 215.922 90.9164 123.779 3.38778 -65.6073 PRESSAVG: 1422800 41.4981 34.6836 -7.67742 34.6836 13.0474 -4.93145 -7.67756 -4.93136 -21.972 GPRESSAVG: 1422800 40.6157 36.1727 -9.53637 34.5562 13.2292 -4.36065 -7.04888 -4.64373 -21.8944 TIMING: 1422800 CPU: 4124.53, 0.00291203/step Wall: 4124.53, 0.00291203/step, 2.89358 hours remaining, 208.429688 MB of memory in use. ENERGY: 1422800 763.8880 2108.1741 1961.3281 104.6079 -206514.6711 17995.8007 0.0000 0.0000 34188.2077 -149392.6646 298.5741 -183580.8723 -149301.8240 298.3219 -3.2575 27.9982 557233.4711 10.8578 10.6501 PRESSURE: 1423000 164.816 -191.655 -105.047 -191.656 -113.749 112.32 -105.047 112.32 -29.8237 GPRESSURE: 1423000 181.162 -58.3667 -135.21 -202.299 -49.9888 199.915 -42.9819 99.6815 -15.9152 PRESSAVG: 1423000 18.5284 -88.6329 18.9755 -88.6329 39.8797 -7.75211 18.9756 -7.75213 -63.3303 GPRESSAVG: 1423000 19.007 -87.991 17.1353 -89.2489 40.2172 -9.50962 20.9922 -6.38575 -63.7629 TIMING: 1423000 CPU: 4125.11, 0.00290777/step Wall: 4125.11, 0.00290777/step, 2.8892 hours remaining, 208.429688 MB of memory in use. ENERGY: 1423000 725.6360 2092.1477 1941.9277 114.6376 -206232.5463 17905.5641 0.0000 0.0000 34057.1060 -149395.5271 297.4292 -183452.6331 -149298.7812 297.9383 7.0812 38.4192 558296.5881 -1.6407 -1.5129 PRESSURE: 1423200 -48.5346 -26.8565 -122.654 -26.8559 -266.325 86.1915 -122.654 86.1919 -194.707 GPRESSURE: 1423200 -81.584 2.14198 -74.3673 -13.3585 -194.581 39.2575 -168.65 142.593 -141.868 PRESSAVG: 1423200 47.5982 -62.1283 -27.3803 -62.1284 -66.7472 8.12991 -27.3803 8.12994 1.77161 GPRESSAVG: 1423200 48.0283 -61.8413 -24.0785 -62.7585 -66.264 10.1744 -29.127 7.78628 0.481804 TIMING: 1423200 CPU: 4125.69, 0.00288003/step Wall: 4125.69, 0.00288003/step, 2.86147 hours remaining, 208.429688 MB of memory in use. ENERGY: 1423200 779.9190 2128.2307 1922.9372 107.2478 -206221.2422 17677.1263 0.0000 0.0000 34160.7013 -149445.0798 298.3339 -183605.7812 -149350.1348 298.2369 -169.8554 -139.3444 557100.6093 -5.7925 -5.9180 PRESSURE: 1423400 51.7242 -41.1947 -93.0294 -41.1956 -248.336 -69.4716 -93.0284 -69.4725 -207.462 GPRESSURE: 1423400 95.3606 -95.7472 -84.0146 17.8951 -190.426 -123.995 -60.5301 -60.8612 -208.836 PRESSAVG: 1423400 13.9171 2.78065 53.0606 2.78052 -13.9965 -27.1538 53.0606 -27.1538 -36.5044 GPRESSAVG: 1423400 13.3844 2.56809 51.2492 2.06526 -15.6161 -28.1933 53.6212 -28.5977 -34.9398 TIMING: 1423400 CPU: 4126.27, 0.00289909/step Wall: 4126.27, 0.00289909/step, 2.88025 hours remaining, 208.429688 MB of memory in use. ENERGY: 1423400 751.1008 2106.2378 1937.1672 115.9509 -206052.8491 17704.1289 0.0000 0.0000 34029.2583 -149409.0054 297.1860 -183438.2637 -149314.4818 298.9366 -134.6913 -101.3004 557566.7660 -12.1946 -12.3905 PRESSURE: 1423600 -36.8447 230.598 -43.9938 230.598 -67.773 31.8323 -43.9949 31.8316 -94.0732 GPRESSURE: 1423600 -44.9082 249.104 -26.195 237.662 22.8854 -6.4183 -52.044 -25.7488 -72.1101 PRESSAVG: 1423600 48.1343 18.3802 27.0342 18.3802 -21.8302 55.4428 27.0341 55.4428 -0.123971 GPRESSAVG: 1423600 48.9673 18.3722 28.0395 18.2817 -21.7566 54.9776 27.8415 55.8859 -0.766556 TIMING: 1423600 CPU: 4126.85, 0.00290391/step Wall: 4126.85, 0.00290391/step, 2.88487 hours remaining, 208.429688 MB of memory in use. ENERGY: 1423600 752.4656 2123.8962 1944.1626 106.8951 -206351.4435 17852.5558 0.0000 0.0000 34168.8593 -149402.6090 298.4051 -183571.4683 -149308.3747 298.7636 -66.2303 -31.3776 557497.0685 8.7267 8.8147 PRESSURE: 1423800 269.192 142.971 89.2977 142.972 -46.0014 -39.8088 89.2994 -39.8084 -153.872 GPRESSURE: 1423800 299.303 272.117 62.2324 25.8357 -50.4531 -1.38164 57.5662 76.5454 -87.6521 PRESSAVG: 1423800 10.4489 -2.04368 7.53178 -2.04366 -10.0689 42.8144 7.53167 42.8146 28.1587 GPRESSAVG: 1423800 9.17982 -2.48967 6.91655 -1.92103 -9.72752 42.0581 7.62557 43.541 29.2802 TIMING: 1423800 CPU: 4127.43, 0.0029136/step Wall: 4127.43, 0.0029136/step, 2.89434 hours remaining, 208.429688 MB of memory in use. ENERGY: 1423800 708.4472 2119.7029 1956.7608 111.1808 -206262.1440 17843.0766 0.0000 0.0000 34179.9258 -149343.0500 298.5018 -183522.9757 -149248.8385 298.8150 23.1062 53.7325 557318.6486 9.5129 9.5775 PRESSURE: 1424000 -217.181 148.84 -47.7039 148.839 173.866 36.2416 -47.7042 36.2402 9.48693 GPRESSURE: 1424000 -196.405 110.831 -35.8167 103.655 183.519 103.555 40.2305 -4.02332 77.4137 PRESSAVG: 1424000 -23.9356 -5.54014 39.2682 -5.54014 31.923 5.85316 39.2683 5.85317 -14.6039 GPRESSAVG: 1424000 -23.7055 -5.22019 39.7767 -3.91397 32.8204 3.9682 39.5617 8.30819 -15.8747 TIMING: 1424000 CPU: 4128.01, 0.00290384/step Wall: 4128.01, 0.00290384/step, 2.88448 hours remaining, 208.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1424000 761.0793 2084.1456 1931.2294 117.5065 -206419.0162 17911.1633 0.0000 0.0000 34287.0689 -149326.8233 299.4375 -183613.8922 -149223.7084 298.5210 -11.2757 21.5095 556857.1623 -2.2055 -2.2533 PRESSURE: 1424200 -36.7532 24.893 35.471 24.8935 -74.4884 141.621 35.4718 141.619 -130.419 GPRESSURE: 1424200 29.559 -24.5483 100.724 65.0478 -35.5438 148.082 -18.3209 151.631 -140.24 PRESSAVG: 1424200 -65.0985 -35.4649 25.7698 -35.4649 12.4048 43.3068 25.7699 43.3068 83.1542 GPRESSAVG: 1424200 -64.8183 -34.642 24.759 -36.4507 12.817 44.8528 24.7947 41.2513 82.7183 TIMING: 1424200 CPU: 4128.59, 0.00289847/step Wall: 4128.59, 0.00289847/step, 2.87898 hours remaining, 208.429688 MB of memory in use. ENERGY: 1424200 766.8678 2111.7457 1940.4726 111.0378 -206366.0207 17881.7487 0.0000 0.0000 34216.2557 -149337.8925 298.8191 -183554.1482 -149246.4554 298.9406 -80.5535 -48.7416 557258.2763 10.1535 10.2390 LDB: ============= START OF LOAD BALANCING ============== 4131.98 LDB: ============== END OF LOAD BALANCING =============== 4131.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4131.98 LDB: ============= START OF LOAD BALANCING ============== 4132.27 LDB: Largest compute 4792 load 0.021604 is 18.3% of average load 0.117890 LDB: Average compute 0.001708 is 1.4% of average load 0.117890 LDB: TIME 4132.27 LOAD: AVG 0.11789 MAX 0.184765 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.902 MB LDB: TIME 4132.27 LOAD: AVG 0.11789 MAX 0.184765 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: TIME 4132.27 LOAD: AVG 0.11789 MAX 0.184765 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4132.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4132.28 PRESSURE: 1424400 -202.365 -24.2372 144.065 -24.238 126.317 28.6099 144.064 28.6101 67.5297 GPRESSURE: 1424400 -203.438 -22.8768 106.934 26.6527 209.611 25.9701 244.357 91.1798 74.3164 PRESSAVG: 1424400 -41.4372 -34.4597 17.9974 -34.4597 28.4264 25.6005 17.9973 25.6005 8.61063 GPRESSAVG: 1424400 -41.8154 -35.1133 18.8122 -34.7411 28.0471 27.503 18.137 24.0478 9.57098 TIMING: 1424400 CPU: 4129.18, 0.00295364/step Wall: 4129.18, 0.00295364/step, 2.93362 hours remaining, 209.441406 MB of memory in use. ENERGY: 1424400 740.3740 2120.2654 1920.3512 119.5000 -206496.6624 17919.9537 0.0000 0.0000 34303.1241 -149373.0940 299.5777 -183676.2182 -149271.5975 299.0708 -2.8395 26.8297 558139.5544 -1.4667 -1.3991 PRESSURE: 1424600 -91.283 -108.819 77.3041 -108.82 -348.188 -159.616 77.3037 -159.614 39.8236 GPRESSURE: 1424600 -43.2108 -170.072 99.867 -3.46861 -283.156 -80.1138 84.7083 -101.292 35.8147 PRESSAVG: 1424600 -12.7656 -4.8985 33.7957 -4.89855 36.8575 5.19171 33.7958 5.19173 -0.853083 GPRESSAVG: 1424600 -13.2268 -5.79869 35.3644 -3.74409 37.1814 1.70471 36.0884 7.78056 -0.605825 TIMING: 1424600 CPU: 4129.77, 0.00294257/step Wall: 4129.77, 0.00294257/step, 2.92247 hours remaining, 209.511719 MB of memory in use. ENERGY: 1424600 713.1406 2076.6092 1929.6543 97.4935 -206063.5741 17555.4020 0.0000 0.0000 34254.4209 -149436.8535 299.1524 -183691.2744 -149342.5506 298.7764 -133.2156 -96.8508 557161.9665 7.7463 7.7829 PRESSURE: 1424800 155.785 -40.8842 122.821 -40.8838 189.77 93.581 122.821 93.5804 298.355 GPRESSURE: 1424800 219.975 -37.2287 113.837 21.0023 192.729 44.9938 123.827 51.726 335.225 PRESSAVG: 1424800 42.5001 24.3909 9.35004 24.3909 -55.9857 32.0071 9.35005 32.0071 -21.0112 GPRESSAVG: 1424800 42.5783 24.9798 9.42339 22.4939 -55.99 33.731 7.76543 30.8242 -21.5261 TIMING: 1424800 CPU: 4130.34, 0.00287946/step Wall: 4130.34, 0.00287946/step, 2.85962 hours remaining, 209.511719 MB of memory in use. ENERGY: 1424800 714.8899 2071.0233 1932.4061 119.8395 -206809.7532 18170.9820 0.0000 0.0000 34519.6213 -149280.9912 301.4684 -183800.6124 -149182.2964 299.1840 214.6369 249.3097 555093.1197 -11.4989 -11.6459 PRESSURE: 1425000 -88.4145 147.395 48.6582 147.394 -255.526 -114.14 48.6576 -114.14 -38.3758 GPRESSURE: 1425000 -56.1198 142.638 103.961 163.904 -208.361 -50.1802 -11.5992 -151.226 -24.6631 PRESSAVG: 1425000 84.4699 61.5183 -5.64735 61.5183 -85.3815 28.1446 -5.64747 28.1448 67.014 GPRESSAVG: 1425000 84.7774 61.6318 -6.90681 61.7151 -85.7095 30.0702 -5.71502 29.0881 67.542 TIMING: 1425000 CPU: 4130.93, 0.00290852/step Wall: 4130.93, 0.00290852/step, 2.88832 hours remaining, 209.511719 MB of memory in use. ENERGY: 1425000 743.7116 2114.5909 1933.1885 113.5654 -206156.1526 17686.9896 0.0000 0.0000 34311.3727 -149252.7340 299.6498 -183564.1066 -149153.8955 299.1639 -127.4387 -96.3812 556928.5575 22.0341 22.2033 PRESSURE: 1425200 -253.416 -37.9712 1.71597 -37.971 -211.088 76.7476 1.71695 76.7489 -118.322 GPRESSURE: 1425200 -206.837 6.05292 -32.8513 -6.86939 -201.077 8.72332 -9.96974 132.695 -71.6594 PRESSAVG: 1425200 23.9916 18.777 7.59868 18.777 -36.7233 14.4796 7.59866 14.4796 -17.2662 GPRESSAVG: 1425200 24.1261 17.7142 8.82283 18.8643 -35.3866 14.3254 5.96377 12.5181 -18.2054 TIMING: 1425200 CPU: 4131.51, 0.00289338/step Wall: 4131.51, 0.00289338/step, 2.87312 hours remaining, 209.511719 MB of memory in use. ENERGY: 1425200 704.1847 2034.0127 1922.7928 113.8072 -205887.1357 17525.3778 0.0000 0.0000 34194.4204 -149392.5402 298.6284 -183586.9606 -149296.3218 299.5084 -194.2751 -159.8580 558110.6071 -9.9993 -9.8220 PRESSURE: 1425400 -167.206 -120.893 -17.315 -120.894 -16.3481 16.9104 -17.3155 16.9105 34.7468 GPRESSURE: 1425400 -142.72 13.9653 36.4939 -131.119 4.83443 -1.2942 24.0088 39.6823 79.6892 PRESSAVG: 1425400 -31.8844 45.9179 29.5972 45.918 -1.17428 14.6058 29.5972 14.6059 18.1868 GPRESSAVG: 1425400 -31.4416 46.3937 28.844 47.0944 -2.0391 12.775 30.5935 15.3821 18.8633 TIMING: 1425400 CPU: 4132.09, 0.00290759/step Wall: 4132.09, 0.00290759/step, 2.88708 hours remaining, 209.511719 MB of memory in use. ENERGY: 1425400 779.1689 2118.5689 1927.5300 103.2280 -206235.6208 17781.2896 0.0000 0.0000 34215.3145 -149310.5209 298.8109 -183525.8354 -149216.1219 298.8005 -49.6025 -19.3989 556749.7893 -4.9573 -4.8725 PRESSURE: 1425600 57.399 141.397 -17.133 141.397 150.148 -40.9402 -17.133 -40.9379 -258.652 GPRESSURE: 1425600 98.4224 63.7014 -36.1143 84.8629 129.316 49.6498 -3.24547 -76.246 -196.65 PRESSAVG: 1425600 -19.6791 34.9772 30.7663 34.9772 5.62767 22.6911 30.7663 22.691 0.882911 GPRESSAVG: 1425600 -20.3628 34.5539 29.9648 33.6446 5.95136 24.0422 31.9171 22.6204 1.28633 TIMING: 1425600 CPU: 4132.67, 0.00291752/step Wall: 4132.67, 0.00291752/step, 2.89678 hours remaining, 209.511719 MB of memory in use. ENERGY: 1425600 754.2661 2111.9145 1913.6399 104.8469 -206439.9935 17818.6907 0.0000 0.0000 34361.3500 -149375.2853 300.0862 -183736.6353 -149286.6880 298.6552 -17.0350 10.3631 557102.6195 -4.3895 -4.3750 PRESSURE: 1425800 168.256 -156.124 -101.972 -156.125 20.5719 -15.9468 -101.972 -15.948 393.229 GPRESSURE: 1425800 261.291 -110.475 -112.511 -236.935 61.8056 -115.55 -106.207 -47.1423 355.846 PRESSAVG: 1425800 7.14501 23.47 -40.6965 23.4699 16.2299 -30.1518 -40.6964 -30.1518 -0.623314 GPRESSAVG: 1425800 9.07739 23.0972 -39.6813 25.2156 14.6781 -29.288 -39.1406 -31.362 -1.00367 TIMING: 1425800 CPU: 4133.25, 0.00291475/step Wall: 4133.25, 0.00291475/step, 2.89387 hours remaining, 209.511719 MB of memory in use. ENERGY: 1425800 719.8610 2077.0082 1920.0199 111.1793 -206513.1559 18080.2162 0.0000 0.0000 34312.9933 -149291.8779 299.6639 -183604.8712 -149196.7705 298.9076 194.0190 226.3142 557498.3252 7.5839 7.5839 PRESSURE: 1426000 109.704 -55.6793 -56.7374 -55.6781 85.5221 -121.486 -56.7357 -121.486 -34.3828 GPRESSURE: 1426000 104.356 -30.0753 -135.444 -0.674225 51.9631 -159.134 -14.6699 -126.082 109.642 PRESSAVG: 1426000 16.4914 39.9004 -18.7751 39.9005 -40.7389 -42.0143 -18.7751 -42.0144 -2.83943 GPRESSAVG: 1426000 13.7808 42.1739 -22.0753 38.652 -39.2414 -43.2053 -18.1347 -40.6167 -1.76746 TIMING: 1426000 CPU: 4133.83, 0.0029057/step Wall: 4133.83, 0.0029057/step, 2.88471 hours remaining, 209.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1426000 720.2326 2106.2591 1936.7676 114.7810 -206228.9906 17801.7715 0.0000 0.0000 34159.9643 -149389.2145 298.3275 -183549.1789 -149296.0584 299.0881 53.6143 88.6536 556952.9182 -9.0290 -9.0760 PRESSURE: 1426200 -175.986 -7.88122 194.583 -7.8813 -18.6337 48.6192 194.583 48.6185 -43.2109 GPRESSURE: 1426200 -166.887 -2.55666 237.901 -72.3761 37.4215 83.4993 229.417 -0.983371 -14.8487 PRESSAVG: 1426200 -82.1802 8.58292 32.7972 8.583 42.9035 0.0282564 32.7972 0.0282128 11.7408 GPRESSAVG: 1426200 -81.4181 7.09274 35.6231 10.5378 42.8108 1.00345 29.6007 -0.0238645 10.5358 TIMING: 1426200 CPU: 4134.42, 0.00291025/step Wall: 4134.42, 0.00291025/step, 2.88907 hours remaining, 209.511719 MB of memory in use. ENERGY: 1426200 740.1331 2092.6601 1929.8187 115.2265 -206251.4720 17619.7700 0.0000 0.0000 34141.5868 -149612.2766 298.1670 -183753.8635 -149516.0187 298.7913 -79.2768 -48.1049 557052.9108 -9.1787 -9.3572 PRESSURE: 1426400 -33.3188 65.2167 204.47 65.2155 -222.715 -36.4181 204.47 -36.419 -327.749 GPRESSURE: 1426400 18.8727 56.4778 207.657 11.6095 -231.784 -51.5592 256.371 -19.8159 -286.176 PRESSAVG: 1426400 28.8401 44.7719 56.9495 44.7719 -58.5881 3.95692 56.9495 3.95701 -18.5984 GPRESSAVG: 1426400 28.1621 45.3594 56.6328 43.2412 -57.8267 3.63466 57.2441 3.9493 -18.0413 TIMING: 1426400 CPU: 4135, 0.00291245/step Wall: 4135, 0.00291245/step, 2.8911 hours remaining, 209.511719 MB of memory in use. ENERGY: 1426400 762.6900 2108.2020 1897.4106 115.7417 -206193.7569 17679.0749 0.0000 0.0000 34119.6457 -149510.9919 297.9754 -183630.6376 -149408.6039 297.7304 -194.5941 -166.3625 558689.7016 -16.1155 -15.9019 PRESSURE: 1426600 -239.125 48.906 -27.4218 48.9057 87.733 -118.385 -27.4216 -118.384 -97.1685 GPRESSURE: 1426600 -177.538 71.076 -57.0336 11.9781 86.2269 -114.95 -8.25296 -117.511 -49.6156 PRESSAVG: 1426600 43.65 40.4123 16.3439 40.4124 -120.327 22.1434 16.3439 22.1433 29.4977 GPRESSAVG: 1426600 45.0937 40.5517 18.0162 39.0878 -121.218 20.3302 15.811 22.8491 29.1433 TIMING: 1426600 CPU: 4135.58, 0.00291897/step Wall: 4135.58, 0.00291897/step, 2.8974 hours remaining, 209.511719 MB of memory in use. ENERGY: 1426600 749.9660 2048.6736 1926.4280 109.7686 -206110.8290 17828.7849 0.0000 0.0000 34160.5816 -149286.6264 298.3329 -183447.2079 -149188.4029 297.9767 -82.8536 -46.9755 558415.3092 -15.7265 -15.6605 PRESSURE: 1426800 343.103 -82.8632 -111.667 -82.8617 -258.817 -7.46565 -111.667 -7.46541 -142.074 GPRESSURE: 1426800 364.045 -35.6407 -66.4557 -116.856 -231.408 86.1956 -27.8837 1.3753 -98.1413 PRESSAVG: 1426800 69.113 31.6095 39.7998 31.6095 -5.76531 -26.4728 39.7999 -26.4728 -60.8937 GPRESSAVG: 1426800 67.6613 31.8017 38.4676 32.9542 -5.41473 -23.7961 38.5283 -28.7276 -59.994 TIMING: 1426800 CPU: 4136.16, 0.0028883/step Wall: 4136.16, 0.0028883/step, 2.8668 hours remaining, 209.511719 MB of memory in use. ENERGY: 1426800 745.7840 2044.0636 1919.6499 119.6039 -206464.5878 17801.6205 0.0000 0.0000 34447.6839 -149386.1820 300.8402 -183833.8659 -149293.3108 299.5215 -19.2627 11.4988 557514.4005 0.8180 0.7508 PRESSURE: 1427000 -90.7583 207.919 -233.432 207.918 241.775 -35.4807 -233.433 -35.4812 -83.9792 GPRESSURE: 1427000 -81.2508 187.113 -283.837 177.456 233.865 -34.7652 -262.496 -37.28 13.9711 PRESSAVG: 1427000 64.8865 -18.0465 14.0278 -18.0464 -22.4028 -22.947 14.0277 -22.9468 -54.1471 GPRESSAVG: 1427000 66.6864 -17.1497 14.112 -18.2384 -23.4815 -22.8054 16.4875 -22.5084 -54.7603 TIMING: 1427000 CPU: 4136.74, 0.00290026/step Wall: 4136.74, 0.00290026/step, 2.87851 hours remaining, 209.511719 MB of memory in use. ENERGY: 1427000 779.8722 2082.3000 1913.1038 115.5508 -206324.7858 17926.4676 0.0000 0.0000 34133.2598 -149374.2316 298.0942 -183507.4913 -149276.2989 299.0959 22.3458 55.5286 557085.6708 -3.8878 -3.8518 PRESSURE: 1427200 -63.4295 93.3879 49.1874 93.3879 -181.645 -41.5939 49.1869 -41.5938 -207.051 GPRESSURE: 1427200 -30.6978 81.714 98.0859 -5.27722 -150.705 -33.34 -54.1618 -32.1963 -166.991 PRESSAVG: 1427200 -23.7119 -22.987 10.0608 -22.9869 20.1765 10.7011 10.061 10.7012 30.7204 GPRESSAVG: 1427200 -25.5162 -23.2193 10.2363 -24.2743 20.3217 8.57627 7.91842 12.3076 31.7879 TIMING: 1427200 CPU: 4137.32, 0.00289815/step Wall: 4137.32, 0.00289815/step, 2.87625 hours remaining, 209.511719 MB of memory in use. ENERGY: 1427200 788.2891 2072.3260 1924.2225 100.6318 -206474.9498 17667.3722 0.0000 0.0000 34549.2370 -149372.8712 301.7271 -183922.1082 -149272.0148 299.7509 -150.7084 -116.1310 555926.4920 9.0617 8.8645 PRESSURE: 1427400 -277.308 168.323 80.5027 168.324 -105.353 -194.912 80.5034 -194.912 -239.54 GPRESSURE: 1427400 -251.561 181.12 98.8955 140.126 -130.032 -124.477 161.875 -153.889 -146.762 PRESSAVG: 1427400 37.8747 30.4199 -1.54691 30.4198 5.36398 29.4192 -1.54694 29.4191 -41.3472 GPRESSAVG: 1427400 37.5614 29.1467 -0.87971 31.5955 5.4562 28.8244 -1.64586 29.2646 -41.0974 TIMING: 1427400 CPU: 4137.9, 0.00290178/step Wall: 4137.9, 0.00290178/step, 2.87969 hours remaining, 209.511719 MB of memory in use. ENERGY: 1427400 785.5152 2097.2246 1920.4850 106.8793 -205905.0590 17434.9561 0.0000 0.0000 34397.2227 -149162.7761 300.3995 -183559.9988 -149062.5354 299.0497 -207.4002 -176.1186 556439.5249 0.6305 0.6400 PRESSURE: 1427600 375.909 -67.1899 -22.5637 -67.1889 -156.056 -64.2165 -22.5657 -64.2149 -127.493 GPRESSURE: 1427600 351.854 19.4523 -122.908 -83.8904 -109.408 -6.9329 -14.0782 -69.4985 -49.2966 PRESSAVG: 1427600 41.8069 35.8558 29.0449 35.8557 -15.2205 10.902 29.0449 10.902 -41.1547 GPRESSAVG: 1427600 41.9483 36.3204 27.58 35.274 -14.664 11.2516 29.8724 10.7995 -42.0067 TIMING: 1427600 CPU: 4138.48, 0.0029097/step Wall: 4138.48, 0.0029097/step, 2.88739 hours remaining, 209.511719 MB of memory in use. ENERGY: 1427600 774.9118 2117.5824 1914.9429 111.8245 -206177.0243 17724.8114 0.0000 0.0000 34321.0037 -149211.9477 299.7339 -183532.9514 -149110.4289 299.4991 30.7864 64.3831 554620.5839 -4.8561 -4.9074 PRESSURE: 1427800 103.422 -35.6357 34.2046 -35.6342 -48.52 82.7775 34.2063 82.7777 -11.4526 GPRESSURE: 1427800 152.069 -77.9734 143.502 -2.66321 -15.3922 49.1016 25.7731 22.892 17.0127 PRESSAVG: 1427800 34.6155 -41.5962 9.82623 -41.5963 -36.0505 -32.8851 9.82628 -32.8851 2.5818 GPRESSAVG: 1427800 34.8376 -41.098 9.44097 -41.3172 -35.8325 -34.4863 10.6588 -31.7053 2.1035 TIMING: 1427800 CPU: 4139.06, 0.00291178/step Wall: 4139.06, 0.00291178/step, 2.88929 hours remaining, 209.511719 MB of memory in use. ENERGY: 1427800 763.2646 2050.6350 1944.1512 123.8617 -206430.4484 17950.0292 0.0000 0.0000 34494.7132 -149103.7936 301.2509 -183598.5068 -149006.2048 299.6008 14.4830 51.2299 556352.9664 0.3823 0.3695 PRESSURE: 1428000 -147.512 -56.0573 -120.759 -56.0571 78.9089 40.2393 -120.76 40.2397 -98.0642 GPRESSURE: 1428000 -88.7346 -28.9418 -184.057 -107.565 41.9012 43.99 -84.1815 50.4412 -17.2965 PRESSAVG: 1428000 36.1822 -6.26254 -28.6171 -6.26256 -47.9754 -19.7797 -28.6172 -19.7796 -19.9019 GPRESSAVG: 1428000 35.1164 -7.36463 -28.5907 -6.15942 -48.5277 -19.6272 -28.1111 -20.0179 -18.5685 TIMING: 1428000 CPU: 4139.64, 0.00288983/step Wall: 4139.64, 0.00288983/step, 2.86735 hours remaining, 209.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1428000 753.9779 2060.6176 1939.4047 100.7842 -205992.0991 17671.8130 0.0000 0.0000 34312.2065 -149153.2953 299.6570 -183465.5017 -149055.2380 299.8324 -55.5559 -21.3767 557170.8254 -10.5650 -10.6599 PRESSURE: 1428200 -259.947 120.831 -86.0322 120.833 44.0019 -49.1218 -86.032 -49.1225 6.83342 GPRESSURE: 1428200 -190.436 88.4459 -146.193 54.3936 103.371 -65.6409 -13.3228 -73.6272 -43.6889 PRESSAVG: 1428200 28.8041 -11.7132 -46.9666 -11.7132 -27.667 -53.9931 -46.9667 -53.9932 6.52955 GPRESSAVG: 1428200 29.5738 -10.1955 -48.183 -10.9286 -27.6234 -52.1196 -45.8276 -56.2005 6.38835 TIMING: 1428200 CPU: 4140.22, 0.00289215/step Wall: 4140.22, 0.00289215/step, 2.8695 hours remaining, 209.511719 MB of memory in use. ENERGY: 1428200 792.7032 2063.0242 1963.4464 111.7001 -205825.5443 17689.9970 0.0000 0.0000 34102.6927 -149101.9808 297.8273 -183204.6735 -149012.1696 299.1443 -69.7038 -43.5847 558267.2969 2.5555 2.7796 LDB: ============= START OF LOAD BALANCING ============== 4143.61 LDB: ============== END OF LOAD BALANCING =============== 4143.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4143.61 LDB: ============= START OF LOAD BALANCING ============== 4143.9 LDB: Largest compute 4792 load 0.021916 is 18.6% of average load 0.118042 LDB: Average compute 0.001707 is 1.4% of average load 0.118042 LDB: TIME 4143.91 LOAD: AVG 0.118042 MAX 0.185902 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.961 MB LDB: TIME 4143.91 LOAD: AVG 0.118042 MAX 0.185902 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.203 MB LDB: TIME 4143.91 LOAD: AVG 0.118042 MAX 0.185902 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.203 MB LDB: ============== END OF LOAD BALANCING =============== 4143.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4143.91 PRESSURE: 1428400 300.209 8.59572 44.6647 8.59512 114.47 -144.954 44.6641 -144.954 295.52 GPRESSURE: 1428400 316.34 -43.215 23.4223 9.46818 158.805 -198.943 -1.76163 -55.9617 335.243 PRESSAVG: 1428400 -12.2762 -58.6286 10.9461 -58.6286 -44.503 -59.0185 10.9461 -59.0185 56.3254 GPRESSAVG: 1428400 -11.7004 -57.7854 10.8091 -60.6473 -43.9223 -60.2497 10.4117 -57.8038 54.9918 TIMING: 1428400 CPU: 4140.82, 0.00298456/step Wall: 4140.82, 0.00298456/step, 2.96102 hours remaining, 208.695312 MB of memory in use. ENERGY: 1428400 750.0312 2148.5128 1952.5072 108.7293 -206532.5875 18087.7267 0.0000 0.0000 34379.9935 -149105.0869 300.2490 -183485.0804 -149015.5988 299.7140 236.7332 270.1297 555759.9387 -0.1513 -0.2103 PRESSURE: 1428600 68.8079 -33.9276 -39.7557 -33.9284 -250.822 18.8802 -39.7565 18.8804 -55.8504 GPRESSURE: 1428600 110.641 -79.9988 54.2596 1.56661 -188.222 76.323 -11.5796 10.478 -60.0055 PRESSAVG: 1428600 1.36232 48.245 22.8642 48.245 0.401133 -41.9343 22.8641 -41.9343 -8.97844 GPRESSAVG: 1428600 0.498291 45.5642 23.3448 51.2813 0.894324 -40.6467 23.1574 -41.8865 -8.53062 TIMING: 1428600 CPU: 4141.4, 0.00290466/step Wall: 4141.4, 0.00290466/step, 2.88159 hours remaining, 208.894531 MB of memory in use. ENERGY: 1428600 780.6523 2128.5265 1958.6683 111.3514 -205994.1666 17683.0450 0.0000 0.0000 34323.6237 -149008.2993 299.7567 -183331.9230 -148909.8229 299.6002 -79.2881 -45.8620 557155.0976 -2.4050 -2.3793 PRESSURE: 1428800 -31.2062 40.8465 -102.523 40.8469 316.203 -44.7832 -102.523 -44.7834 -119.894 GPRESSURE: 1428800 8.46351 45.9018 -139.707 9.24993 289.297 -69.4597 -95.9651 -39.1323 -36.1328 PRESSAVG: 1428800 61.6197 17.4567 -37.7895 17.4567 13.735 -21.5455 -37.7897 -21.5454 -35.6395 GPRESSAVG: 1428800 61.9631 17.4832 -38.4578 16.0036 14.1584 -22.9804 -39.0147 -22.1528 -36.1609 TIMING: 1428800 CPU: 4141.98, 0.00292643/step Wall: 4141.98, 0.00292643/step, 2.90302 hours remaining, 208.894531 MB of memory in use. ENERGY: 1428800 748.3694 2068.3817 1956.1448 117.6458 -205954.1836 17778.9886 0.0000 0.0000 34340.9294 -148943.7239 299.9079 -183284.6533 -148853.5703 300.0724 55.0343 87.2094 557040.5263 13.2384 13.3202 PRESSURE: 1429000 -104.767 -8.36254 -29.0597 -8.36301 104.92 -96.8101 -29.0592 -96.8104 -106.276 GPRESSURE: 1429000 -87.2049 -0.847007 68.7783 22.9747 152.342 -131.294 -43.8066 -70.9421 -69.0575 PRESSAVG: 1429000 40.6561 -31.4003 64.5346 -31.4004 22.3024 -38.9454 64.5346 -38.9454 -35.0728 GPRESSAVG: 1429000 40.7194 -30.4001 67.6191 -32.3327 21.3392 -39.1622 64.7442 -37.7288 -33.9496 TIMING: 1429000 CPU: 4142.56, 0.00289295/step Wall: 4142.56, 0.00289295/step, 2.86964 hours remaining, 208.894531 MB of memory in use. ENERGY: 1429000 780.2802 2099.7817 1939.8079 114.4244 -205864.6685 17864.8263 0.0000 0.0000 34154.3588 -148911.1893 298.2785 -183065.5480 -148819.0853 300.3640 -35.3742 -1.3068 557656.0518 9.2953 9.3696 PRESSURE: 1429200 15.0024 82.1581 88.2898 82.1577 216.401 29.9527 88.2904 29.9499 239.717 GPRESSURE: 1429200 8.62175 44.2594 3.53196 37.1999 250.883 131.759 157.956 33.5445 299.605 PRESSAVG: 1429200 -0.878225 19.6198 16.3723 19.6197 -5.78007 15.8405 16.3723 15.8405 -0.605981 GPRESSAVG: 1429200 -1.21855 16.7683 13.9495 21.915 -5.08461 17.4196 14.588 16.078 -0.743162 TIMING: 1429200 CPU: 4143.14, 0.00289816/step Wall: 4143.14, 0.00289816/step, 2.87466 hours remaining, 208.894531 MB of memory in use. ENERGY: 1429200 732.4899 2069.0533 1959.8468 117.3250 -206251.7465 17975.1919 0.0000 0.0000 34396.1849 -149001.6546 300.3904 -183397.8395 -148899.5978 300.4982 157.0401 186.3701 557155.7645 -2.4214 -2.3488 PRESSURE: 1429400 229.461 1.07528 11.6457 1.07343 2.15505 -13.5892 11.6471 -13.5906 -67.5508 GPRESSURE: 1429400 224.222 46.3023 27.6549 -17.3129 37.3018 -52.0318 -1.60232 16.2932 -5.49575 PRESSAVG: 1429400 36.5643 -9.56677 30.157 -9.56678 -32.7741 26.2128 30.1569 26.2127 0.709162 GPRESSAVG: 1429400 36.6087 -4.99361 30.9266 -11.7215 -33.9522 24.8035 31.8609 24.2445 1.92512 TIMING: 1429400 CPU: 4143.72, 0.00288717/step Wall: 4143.72, 0.00288717/step, 2.86359 hours remaining, 208.894531 MB of memory in use. ENERGY: 1429400 710.5258 2043.4186 1953.5423 106.6359 -205979.6963 17831.7829 0.0000 0.0000 34447.5898 -148886.2010 300.8394 -183333.7908 -148784.6134 299.9767 54.6883 85.3428 558635.4413 1.4998 1.5272 PRESSURE: 1429600 54.7845 221.704 -126.932 221.704 292.034 -100.802 -126.931 -100.801 -113.598 GPRESSURE: 1429600 96.8441 173.844 -135.128 224.294 251.875 -117.254 -60.6855 -71.9786 -22.9996 PRESSAVG: 1429600 -31.4188 47.3981 10.9337 47.3982 -26.6035 -0.3016 10.9337 -0.301475 36.702 GPRESSAVG: 1429600 -31.0354 45.3782 9.02831 47.9296 -26.154 3.4328 12.004 -0.818098 36.1404 TIMING: 1429600 CPU: 4144.3, 0.0028954/step Wall: 4144.3, 0.0028954/step, 2.87159 hours remaining, 208.894531 MB of memory in use. ENERGY: 1429600 726.8547 2058.4434 1950.2118 105.7256 -206336.8318 17908.2286 0.0000 0.0000 34577.4918 -149009.8758 301.9738 -183587.3676 -148913.2429 300.0188 77.7403 108.5732 557595.7034 -7.1068 -7.0163 PRESSURE: 1429800 -84.8761 -61.4325 -182.367 -61.433 333.324 31.958 -182.367 31.9596 4.21491 GPRESSURE: 1429800 -44.191 -82.876 -195.161 25.7308 357.005 -31.9514 -258.078 120.6 30.3574 PRESSAVG: 1429800 -24.7432 5.66661 -47.6276 5.66657 -5.29768 -52.8171 -47.6276 -52.8172 44.084 GPRESSAVG: 1429800 -25.1049 6.14852 -48.1162 5.82912 -4.99917 -55.9182 -47.6344 -50.8981 44.3536 TIMING: 1429800 CPU: 4144.88, 0.00290393/step Wall: 4144.88, 0.00290393/step, 2.8799 hours remaining, 208.894531 MB of memory in use. ENERGY: 1429800 739.0016 2111.3161 1921.7689 114.9795 -206128.4117 17950.7793 0.0000 0.0000 34409.9760 -148880.5905 300.5109 -183290.5664 -148786.2881 300.0077 84.2210 114.3906 557739.3479 4.6810 4.7498 PRESSURE: 1430000 -114.006 73.6074 36.7904 73.6082 -362.902 -77.4646 36.7886 -77.4644 -162.036 GPRESSURE: 1430000 -31.6585 108.594 -10.3611 138.507 -372.631 -114.289 85.7294 -19.2667 -138.939 PRESSAVG: 1430000 -46.4633 -35.2782 -7.22714 -35.2782 11.9457 6.17769 -7.22727 6.17784 41.2512 GPRESSAVG: 1430000 -44.7283 -33.8118 -5.86298 -34.1867 11.3256 7.23423 -6.84604 6.97343 39.8345 TIMING: 1430000 CPU: 4145.46, 0.00291963/step Wall: 4145.46, 0.00291963/step, 2.8953 hours remaining, 208.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1430000 761.9024 2037.9721 1948.1815 107.2922 -205373.0638 17288.0767 0.0000 0.0000 34335.6380 -148894.0009 299.8617 -183229.6389 -148801.7504 300.4758 -212.9813 -181.0764 557728.5751 2.2446 2.1439 PRESSURE: 1430200 58.0832 169.984 120.029 169.983 -118.324 18.3394 120.03 18.3396 -132.095 GPRESSURE: 1430200 39.1292 102.696 142.442 201.303 -28.6223 55.0887 67.0372 3.37878 -107.316 PRESSAVG: 1430200 5.22061 19.9559 29.2589 19.956 0.583651 55.2094 29.2589 55.2094 -13.4762 GPRESSAVG: 1430200 3.71865 17.7914 27.844 18.9152 0.596562 55.5143 27.6636 53.998 -12.1619 TIMING: 1430200 CPU: 4146.04, 0.00289911/step Wall: 4146.04, 0.00289911/step, 2.87479 hours remaining, 208.894531 MB of memory in use. ENERGY: 1430200 749.6972 2106.9492 1966.9949 118.6211 -205754.0565 17702.8937 0.0000 0.0000 34509.5956 -148599.3049 301.3809 -183108.9005 -148500.0228 300.5013 -64.1119 -32.2697 558963.3185 -2.5573 -2.6156 PRESSURE: 1430400 32.5823 -67.8637 9.82241 -67.8649 180.841 19.1831 9.82326 19.1831 -37.0585 GPRESSURE: 1430400 116.184 -76.2372 61.4926 -82.5312 184.582 16.258 -92.9337 -59.7598 -24.2339 PRESSAVG: 1430400 38.9662 -49.7419 -3.82214 -49.7419 49.9564 -4.99828 -3.82209 -4.99824 -68.0677 GPRESSAVG: 1430400 40.0774 -48.1379 -3.91257 -49.8072 49.1716 -5.32877 -2.45001 -4.6071 -68.3657 TIMING: 1430400 CPU: 4146.62, 0.00287597/step Wall: 4146.62, 0.00287597/step, 2.85169 hours remaining, 208.894531 MB of memory in use. ENERGY: 1430400 735.8298 2064.1183 1928.5080 104.2168 -205892.9010 17844.1442 0.0000 0.0000 34407.5465 -148808.5374 300.4897 -183216.0839 -148712.6725 300.6703 58.7882 92.1771 557726.3875 6.9517 6.9611 PRESSURE: 1430600 -29.3648 -145.345 35.2842 -145.344 170.575 49.8359 35.2842 49.8365 -64.4123 GPRESSURE: 1430600 27.3867 -137.695 2.03549 -79.7184 186.167 62.8239 60.2547 -6.27569 -35.632 PRESSAVG: 1430600 -40.9486 11.5283 44.5841 11.5283 -31.51 -24.15 44.5841 -24.15 67.7993 GPRESSAVG: 1430600 -41.6004 11.7776 46.4935 11.8161 -30.939 -25.3666 43.0185 -22.3465 68.1974 TIMING: 1430600 CPU: 4147.19, 0.0028802/step Wall: 4147.19, 0.0028802/step, 2.85572 hours remaining, 208.894531 MB of memory in use. ENERGY: 1430600 762.5292 2111.6758 1935.6519 118.0866 -206061.9189 17969.3501 0.0000 0.0000 34329.1693 -148835.4560 299.8052 -183164.6253 -148743.9411 300.4354 25.5992 59.3074 556910.8660 -1.5531 -1.4473 PRESSURE: 1430800 -6.30729 -71.0856 163.43 -71.0845 -53.2446 -205.773 163.429 -205.772 -98.0269 GPRESSURE: 1430800 -61.6122 -97.5412 100.465 -32.2811 27.8657 -79.4373 186.029 -276.642 -34.7291 PRESSAVG: 1430800 -13.2283 -9.8338 -14.2813 -9.83373 -41.3752 -0.949909 -14.2813 -0.949902 31.5486 GPRESSAVG: 1430800 -12.6994 -10.0721 -14.246 -9.67151 -40.4472 0.452428 -14.5006 -2.74267 30.3107 TIMING: 1430800 CPU: 4147.77, 0.0028962/step Wall: 4147.77, 0.0028962/step, 2.87142 hours remaining, 208.894531 MB of memory in use. ENERGY: 1430800 728.4243 2087.6126 1958.7298 112.4112 -205755.0297 17701.3833 0.0000 0.0000 34431.5369 -148734.9317 300.6992 -183166.4686 -148646.6177 300.9970 -52.5263 -22.8252 558930.6018 -7.6850 -7.6120 PRESSURE: 1431000 -80.8789 16.4186 -44.2191 16.418 -189.18 101.759 -44.2192 101.759 13.5507 GPRESSURE: 1431000 -35.674 108.521 -145.111 -34.2088 -159.181 87.5112 -85.3509 66.1552 53.4798 PRESSAVG: 1431000 25.521 12.2307 -10.8933 12.2308 1.37287 2.3501 -10.8933 2.35011 -5.78434 GPRESSAVG: 1431000 25.3963 12.7406 -12.0001 11.7036 0.0457031 1.34041 -11.257 0.558068 -4.46133 TIMING: 1431000 CPU: 4148.35, 0.00288757/step Wall: 4148.35, 0.00288757/step, 2.8627 hours remaining, 208.894531 MB of memory in use. ENERGY: 1431000 790.5239 2144.8536 1960.7808 115.9073 -205651.7216 17626.3576 0.0000 0.0000 34449.7339 -148563.5647 300.8581 -183013.2985 -148466.3270 301.0174 -85.5028 -47.1251 557655.2395 7.0365 6.9936 PRESSURE: 1431200 -92.0405 35.0747 102.015 35.0742 181.811 -106.471 102.015 -106.471 -83.8184 GPRESSURE: 1431200 -94.5173 -9.16566 126.856 14.2251 257.235 -101.805 94.779 -67.0677 -58.3709 PRESSAVG: 1431200 14.0432 -33.634 21.5047 -33.6341 26.1332 -12.8641 21.5047 -12.8641 -7.70002 GPRESSAVG: 1431200 13.5127 -34.3562 21.2324 -33.3174 26.8316 -12.6621 22.078 -11.6362 -7.80839 TIMING: 1431200 CPU: 4148.93, 0.00288138/step Wall: 4148.93, 0.00288138/step, 2.85641 hours remaining, 208.894531 MB of memory in use. ENERGY: 1431200 737.7517 2048.5318 1930.2268 113.3117 -206041.8073 17948.5640 0.0000 0.0000 34519.0333 -148744.3880 301.4633 -183263.4213 -148642.0004 300.8182 1.9841 34.7821 556877.4824 10.8255 10.8453 PRESSURE: 1431400 14.4386 112.012 -42.8335 112.014 57.3923 -89.8625 -42.8364 -89.8622 -105.337 GPRESSURE: 1431400 68.4898 101.545 -126.519 167.37 77.5992 -95.0209 -65.1895 -178.274 -82.0248 PRESSAVG: 1431400 -2.71836 -35.2952 24.0162 -35.2951 8.32351 1.97365 24.0163 1.97366 15.8424 GPRESSAVG: 1431400 -1.20126 -36.3005 23.9737 -34.0341 7.40881 3.22737 24.977 1.57801 15.2175 TIMING: 1431400 CPU: 4149.51, 0.00290662/step Wall: 4149.51, 0.00290662/step, 2.88127 hours remaining, 208.894531 MB of memory in use. ENERGY: 1431400 778.5268 2086.1179 1934.3131 125.1974 -205725.5469 17617.6673 0.0000 0.0000 34563.3370 -148620.3875 301.8502 -183183.7244 -148525.1614 301.1822 -11.1688 21.3547 556543.8575 7.1492 7.1417 PRESSURE: 1431600 -36.9712 77.1241 108.412 77.1236 114.055 -32.0143 108.41 -32.0132 135.426 GPRESSURE: 1431600 27.6779 101.359 147.865 56.3796 115.295 -56.0424 144.341 1.31484 159.386 PRESSAVG: 1431600 -14.2765 6.89616 10.9534 6.89622 8.86618 -5.40303 10.9534 -5.40311 -10.1453 GPRESSAVG: 1431600 -16.4757 7.68411 10.0276 6.73037 10.2652 -8.07345 9.90837 -2.6998 -9.21028 TIMING: 1431600 CPU: 4150.09, 0.0028956/step Wall: 4150.09, 0.0028956/step, 2.87018 hours remaining, 208.894531 MB of memory in use. ENERGY: 1431600 774.6187 2075.6640 1963.0195 109.5377 -205623.6791 17758.7875 0.0000 0.0000 34415.4809 -148526.5708 300.5590 -182942.0517 -148434.5562 301.0508 70.8369 100.7864 557323.9209 -5.1852 -5.1403 PRESSURE: 1431800 -276.335 -45.6278 137.531 -45.6283 -97.2684 126.723 137.531 126.723 -61.5988 GPRESSURE: 1431800 -157.755 18.4884 90.9636 -45.4379 -105.407 57.3711 158.897 180.449 -77.8296 PRESSAVG: 1431800 -17.5557 22.7365 35.9198 22.7365 -2.80509 45.9237 35.9198 45.9237 12.5311 GPRESSAVG: 1431800 -16.6786 24.2427 36.9497 22.5434 -2.66435 47.6554 36.6334 42.2567 11.338 TIMING: 1431800 CPU: 4150.67, 0.00291185/step Wall: 4150.67, 0.00291185/step, 2.88613 hours remaining, 208.894531 MB of memory in use. ENERGY: 1431800 742.9675 2113.7354 1937.0484 103.7760 -205407.9100 17460.3969 0.0000 0.0000 34372.6668 -148677.3190 300.1850 -183049.9858 -148577.9298 301.1459 -145.0674 -113.6639 558067.4449 -2.6099 -2.6683 PRESSURE: 1432000 359.083 25.5193 22.44 25.5191 -132.703 55.6514 22.4394 55.6535 124.263 GPRESSURE: 1432000 306.537 27.743 16.941 -52.2688 -79.399 -3.75491 27.5714 64.1037 232.133 PRESSAVG: 1432000 40.7366 -34.902 17.8022 -34.9021 -11.024 40.5821 17.8024 40.5822 -9.6009 GPRESSAVG: 1432000 40.7341 -35.7912 18.3745 -35.1111 -11.4606 40.7302 17.7777 42.3285 -9.08314 TIMING: 1432000 CPU: 4151.25, 0.00290539/step Wall: 4151.25, 0.00290539/step, 2.87956 hours remaining, 208.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1432000 701.5299 2092.1798 1934.2185 125.0977 -205445.2778 17801.5334 0.0000 0.0000 34263.7956 -148526.9229 299.2342 -182790.7185 -148429.7773 301.2411 116.8809 153.0904 557130.4145 6.7039 6.7301 PRESSURE: 1432200 -166.347 1.97088 -45.7965 1.97218 -141.918 -111.506 -45.7965 -111.506 -90.0401 GPRESSURE: 1432200 -132.953 -62.0532 -38.2172 -24.1648 -129.693 -25.8286 -84.0123 -143.117 -47.7606 PRESSAVG: 1432200 75.8083 -30.5974 -20.0296 -30.5974 -24.206 24.7385 -20.0295 24.7385 -68.5856 GPRESSAVG: 1432200 76.9663 -31.3231 -19.1048 -30.9006 -24.7801 24.8539 -19.5933 25.6525 -69.1763 TIMING: 1432200 CPU: 4151.83, 0.00289331/step Wall: 4151.83, 0.00289331/step, 2.86743 hours remaining, 208.894531 MB of memory in use. ENERGY: 1432200 741.6831 2136.0636 1933.6010 109.3713 -205882.9928 17545.6177 0.0000 0.0000 34712.5005 -148704.1555 303.1529 -183416.6561 -148601.5304 300.9409 -132.7683 -103.4687 556602.0647 -5.6611 -5.6634 LDB: ============= START OF LOAD BALANCING ============== 4155.22 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4155.22 LDB: =============== DONE WITH MIGRATION ================ 4155.22 LDB: ============= START OF LOAD BALANCING ============== 4155.51 LDB: Largest compute 4792 load 0.021743 is 18.4% of average load 0.117964 LDB: Average compute 0.001700 is 1.4% of average load 0.117964 LDB: TIME 4155.51 LOAD: AVG 0.117964 MAX 0.185843 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 4155.51 LOAD: AVG 0.117964 MAX 0.185843 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.703 MB LDB: TIME 4155.51 LOAD: AVG 0.117964 MAX 0.185843 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4155.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4155.52 PRESSURE: 1432400 158.376 -3.68854 -170.334 -3.68778 123.271 -65.4696 -170.334 -65.4691 66.8615 GPRESSURE: 1432400 164.025 6.01215 -179.837 -52.3693 174.167 -48.636 -187.634 24.9656 108.193 PRESSAVG: 1432400 71.0066 -16.0384 7.90598 -16.0384 29.7306 -31.5603 7.9059 -31.5604 -46.5253 GPRESSAVG: 1432400 69.1026 -16.3828 5.56317 -15.4022 31.6732 -32.062 7.24424 -32.6213 -45.6447 TIMING: 1432400 CPU: 4152.42, 0.00295629/step Wall: 4152.42, 0.00295629/step, 2.92968 hours remaining, 209.824219 MB of memory in use. ENERGY: 1432400 716.3147 2141.1458 1973.4195 121.8707 -205996.1230 17700.3194 0.0000 0.0000 34609.1548 -148733.8981 302.2504 -183343.0529 -148635.7281 301.3871 116.1694 148.7951 554021.1990 18.0706 18.3770 PRESSURE: 1432600 -127.281 -157.909 31.2862 -157.91 -154.619 141.867 31.2864 141.868 -34.1804 GPRESSURE: 1432600 -168.163 -124.401 49.1247 -200.326 -129.208 187.742 28.2526 132.606 69.981 PRESSAVG: 1432600 100.182 -1.17366 -20.144 -1.17365 -4.71354 17.6965 -20.144 17.6965 -78.0887 GPRESSAVG: 1432600 100.472 -0.804368 -19.403 -0.897848 -6.50548 18.0778 -18.3692 19.0522 -77.3041 TIMING: 1432600 CPU: 4153, 0.00290033/step Wall: 4153, 0.00290033/step, 2.87406 hours remaining, 210.066406 MB of memory in use. ENERGY: 1432600 742.9434 2152.0895 1923.8999 102.3137 -205825.7236 17669.7971 0.0000 0.0000 34290.9021 -148943.7779 299.4710 -183234.6800 -148852.3524 300.4746 -105.3600 -75.7967 558167.2270 5.7931 5.5541 PRESSURE: 1432800 46.2325 35.3189 19.8885 35.3194 -173.071 -120.058 19.8883 -120.058 -102.485 GPRESSURE: 1432800 79.7274 74.056 48.7196 8.16227 -140.546 -92.6752 49.2344 -175.552 -64.3419 PRESSAVG: 1432800 85.4293 -37.1383 -15.7774 -37.1382 -46.6879 52.26 -15.7774 52.2598 -29.2253 GPRESSAVG: 1432800 86.2835 -35.9453 -13.7299 -39.4948 -46.2461 52.4498 -18.009 52.5418 -30.3152 TIMING: 1432800 CPU: 4153.58, 0.00289087/step Wall: 4153.58, 0.00289087/step, 2.86454 hours remaining, 210.066406 MB of memory in use. ENERGY: 1432800 758.8476 2137.8781 1983.8497 119.4122 -205990.4343 17788.8311 0.0000 0.0000 34162.0808 -149039.5349 298.3459 -183201.6157 -148935.6348 299.5592 -76.4413 -41.7203 558451.1197 3.1720 3.2407 PRESSURE: 1433000 294.196 -65.5757 63.423 -65.5752 200.994 -65.1908 63.4232 -65.1899 -67.5863 GPRESSURE: 1433000 360.936 -43.6487 35.9238 -113.679 195.438 -56.6127 138.282 29.5447 -40.4417 PRESSAVG: 1433000 91.4022 -49.3594 1.06912 -49.3595 -92.1321 7.34056 1.06908 7.34067 4.51259 GPRESSAVG: 1433000 90.863 -49.585 0.771817 -45.5135 -91.3135 4.18054 1.06401 8.63145 4.356 TIMING: 1433000 CPU: 4154.16, 0.00289279/step Wall: 4154.16, 0.00289279/step, 2.86627 hours remaining, 210.066406 MB of memory in use. ENERGY: 1433000 733.9346 2104.4247 1963.2167 108.3473 -206022.2632 17837.2968 0.0000 0.0000 34350.3301 -148924.7129 299.9900 -183275.0431 -148823.7220 299.6973 142.5346 171.9772 557657.5385 1.2609 1.3018 PRESSURE: 1433200 -226.506 -82.3384 54.966 -82.3379 8.12676 -258.136 54.9661 -258.134 -79.311 GPRESSURE: 1433200 -236.728 -22.1331 97.5077 -112.584 43.522 -212.575 89.1914 -308.465 -20.9153 PRESSAVG: 1433200 -51.9398 -48.4274 12.5456 -48.4274 45.3853 17.5692 12.5455 17.5692 25.6923 GPRESSAVG: 1433200 -52.2168 -49.7079 12.5574 -49.7945 45.6185 21.2166 14.9064 14.6094 25.6321 TIMING: 1433200 CPU: 4154.75, 0.00293667/step Wall: 4154.75, 0.00293667/step, 2.90959 hours remaining, 210.066406 MB of memory in use. ENERGY: 1433200 747.5203 2138.3637 1982.6046 115.8019 -206113.7665 17665.2686 0.0000 0.0000 34311.6548 -149152.5524 299.6522 -183464.2073 -149050.1595 300.4203 -99.2302 -71.3737 555972.1063 6.3793 6.3446 PRESSURE: 1433400 -75.7484 22.8067 113.541 22.8073 -99.26 -43.9811 113.542 -43.9811 -170.007 GPRESSURE: 1433400 10.4033 14.5968 221.763 5.49068 -40.4293 -64.8116 130.077 -51.6701 -214.573 PRESSAVG: 1433400 22.6548 -33.592 -6.62717 -33.5921 -31.7665 38.3827 -6.62715 38.3827 36.3785 GPRESSAVG: 1433400 23.7679 -32.1631 -7.19659 -34.2919 -32.9451 36.3205 -8.04849 37.6745 36.3246 TIMING: 1433400 CPU: 4155.33, 0.00290662/step Wall: 4155.33, 0.00290662/step, 2.87966 hours remaining, 210.066406 MB of memory in use. ENERGY: 1433400 785.3805 2138.2606 1946.7032 98.8129 -206013.8377 17603.8224 0.0000 0.0000 34221.8806 -149218.9776 298.8682 -183440.8581 -149119.7372 299.9672 -115.0052 -81.5332 556164.1899 9.0889 9.0492 PRESSURE: 1433600 -116.589 196.296 -44.9041 196.296 -168.659 44.1828 -44.9042 44.1823 -129.633 GPRESSURE: 1433600 -86.1147 247.613 -65.1815 27.519 -171.5 78.0234 -11.749 116.502 -59.772 PRESSAVG: 1433600 1.84284 23.0107 -28.2771 23.0106 -59.545 -12.3135 -28.2773 -12.3135 32.1467 GPRESSAVG: 1433600 1.73623 20.6567 -28.2365 23.5772 -59.5887 -11.9541 -29.105 -10.4455 32.3761 TIMING: 1433600 CPU: 4155.91, 0.00292834/step Wall: 4155.91, 0.00292834/step, 2.901 hours remaining, 210.066406 MB of memory in use. ENERGY: 1433600 754.7285 2090.9914 1992.8101 109.9540 -205965.3784 17529.2589 0.0000 0.0000 34488.4061 -148999.2294 301.1958 -183487.6355 -148894.2232 299.5685 -138.2940 -105.7957 557815.3835 -8.5185 -8.4921 PRESSURE: 1433800 102.484 203.832 -225.464 203.832 -91.9022 154.435 -225.466 154.435 -35.7902 GPRESSURE: 1433800 106.925 96.5491 -200.74 113.28 -31.9625 130.481 -250.332 152.729 20.736 PRESSAVG: 1433800 4.17813 73.9223 -2.18164 73.9224 -21.1919 -30.4307 -2.18169 -30.4308 9.85807 GPRESSAVG: 1433800 3.08083 75.5348 -3.34802 72.2874 -20.1838 -30.1371 -0.173244 -30.4267 10.2556 TIMING: 1433800 CPU: 4156.49, 0.00289388/step Wall: 4156.49, 0.00289388/step, 2.86671 hours remaining, 210.066406 MB of memory in use. ENERGY: 1433800 764.8741 2115.1020 1965.6317 119.4820 -206410.5749 17968.1838 0.0000 0.0000 34379.8218 -149097.4796 300.2475 -183477.3014 -149003.2199 299.6188 -8.4027 31.8995 556938.4377 -2.3852 -2.2824 PRESSURE: 1434000 -353.601 60.6603 25.4239 60.662 171.74 248.936 25.4237 248.935 -88.9437 GPRESSURE: 1434000 -320.68 41.9137 88.4508 82.9195 283.101 226.825 12.5093 131.041 -124.98 PRESSAVG: 1434000 49.3252 -49.8804 12.345 -49.8804 25.989 71.0002 12.345 71.0002 -62.5109 GPRESSAVG: 1434000 49.5308 -48.2837 15.0774 -48.7277 26.692 71.6708 11.0549 71.3334 -63.5092 TIMING: 1434000 CPU: 4157.07, 0.00290807/step Wall: 4157.07, 0.00290807/step, 2.8806 hours remaining, 210.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1434000 766.9219 2078.7067 1962.7679 111.5401 -205933.2335 17772.1259 0.0000 0.0000 34164.7094 -149076.4615 298.3689 -183241.1709 -148975.8295 299.1915 -90.2682 -54.1862 558920.6066 4.2677 4.2378 PRESSURE: 1434200 188.743 -100.434 37.8074 -100.434 38.66 -73.7409 37.8075 -73.7405 310.738 GPRESSURE: 1434200 252.052 -86.8726 12.7239 -109.341 92.0206 -75.7731 68.6632 -57.5992 302.668 PRESSAVG: 1434200 48.1759 -1.41686 11.5147 -1.41688 -58.9209 32.4063 11.5147 32.4063 19.6046 GPRESSAVG: 1434200 47.7398 -2.75456 12.0995 -0.864793 -59.2789 32.5885 10.1338 31.1843 20.6375 TIMING: 1434200 CPU: 4157.66, 0.00292515/step Wall: 4157.66, 0.00292515/step, 2.89736 hours remaining, 210.066406 MB of memory in use. ENERGY: 1434200 754.2359 2104.1452 1938.3514 106.3357 -206074.8018 18014.9559 0.0000 0.0000 33952.9352 -149203.8426 296.5194 -183156.7778 -149107.2547 298.6501 179.3805 215.5802 557298.9295 2.9532 3.0328 PRESSURE: 1434400 -150.951 -44.6242 132.649 -44.6242 -340.492 -86.707 132.65 -86.7069 291.148 GPRESSURE: 1434400 -85.6543 -97.0026 145.738 -55.0834 -295.502 -27.9654 65.3444 -127.588 270.124 PRESSAVG: 1434400 22.3366 56.8726 46.0734 56.8725 -15.9872 11.6261 46.0734 11.6261 1.03417 GPRESSAVG: 1434400 22.8325 58.6767 44.2688 55.9007 -16.7274 11.7533 46.097 11.6006 1.21764 TIMING: 1434400 CPU: 4158.24, 0.00291634/step Wall: 4158.24, 0.00291634/step, 2.88848 hours remaining, 210.066406 MB of memory in use. ENERGY: 1434400 737.8798 2145.8690 1933.6648 113.3092 -205774.9813 17570.9104 0.0000 0.0000 34137.0273 -149136.3209 298.1272 -183273.3482 -149036.2630 298.7944 -66.7651 -37.0108 558729.7172 2.4612 2.4409 PRESSURE: 1434600 -25.7654 14.9751 -64.9031 14.975 288.688 -119.137 -64.9045 -119.139 162.522 GPRESSURE: 1434600 -49.3929 -144.819 -95.1472 65.9471 383.844 -41.3992 -53.0066 -164.814 199.981 PRESSAVG: 1434600 10.0348 10.9902 40.5967 10.9901 28.3299 -4.94001 40.5967 -4.94001 -41.5097 GPRESSAVG: 1434600 10.2014 8.40326 40.2032 10.3838 30.1365 -3.72641 42.2239 -5.77551 -43.8863 TIMING: 1434600 CPU: 4158.82, 0.00290503/step Wall: 4158.82, 0.00290503/step, 2.8771 hours remaining, 210.066406 MB of memory in use. ENERGY: 1434600 732.9254 2066.9993 1935.2617 120.8505 -206339.0471 18032.4984 0.0000 0.0000 34314.8428 -149135.6689 299.6801 -183450.5117 -149032.1310 298.9175 141.8149 178.1438 557464.2235 -1.0483 -1.1828 PRESSURE: 1434800 -60.0549 88.9036 -165.313 88.9047 -15.7365 -71.7513 -165.313 -71.7507 -16.9107 GPRESSURE: 1434800 -13.5876 50.6299 -178.408 54.6296 -13.3187 -62.4021 -146.566 -29.8246 33.2988 PRESSAVG: 1434800 27.384 21.5206 -24.9726 21.5206 -74.2645 -68.9914 -24.9727 -68.9915 28.3189 GPRESSAVG: 1434800 27.1489 22.426 -25.8584 22.0321 -73.8187 -70.6207 -26.4181 -67.9184 28.0304 TIMING: 1434800 CPU: 4159.4, 0.00290351/step Wall: 4159.4, 0.00290351/step, 2.87544 hours remaining, 210.066406 MB of memory in use. ENERGY: 1434800 719.2628 2138.7388 1933.0976 105.6032 -206070.7590 17711.6222 0.0000 0.0000 34269.1129 -149193.3214 299.2807 -183462.4343 -149095.0082 298.8622 -30.9007 2.1308 558305.0036 -6.1872 -6.2131 PRESSURE: 1435000 -4.40858 -115.601 -95.2912 -115.6 273.907 -25.9417 -95.2926 -25.9425 181.819 GPRESSURE: 1435000 14.2778 -44.6793 -44.3504 -110.89 308.253 -57.1773 -42.7317 21.912 230.539 PRESSAVG: 1435000 16.7382 -15.6086 20.7773 -15.6087 27.7975 -66.8881 20.7773 -66.8881 -31.0254 GPRESSAVG: 1435000 16.9474 -15.2378 22.1635 -14.0494 25.7707 -66.3714 22.3725 -67.4824 -28.7851 TIMING: 1435000 CPU: 4159.99, 0.00293469/step Wall: 4159.99, 0.00293469/step, 2.90615 hours remaining, 210.066406 MB of memory in use. ENERGY: 1435000 708.7663 2118.2925 1947.7806 122.6580 -206415.3983 18059.8910 0.0000 0.0000 34158.9793 -149299.0308 298.3189 -183458.0101 -149198.2263 299.1605 150.4389 184.3568 557227.0878 4.5034 4.6444 PRESSURE: 1435200 153.446 -20.866 190.146 -20.8655 371.102 40.3153 190.143 40.3131 -75.074 GPRESSURE: 1435200 215.218 -60.5205 221.992 -29.5782 421.408 112.297 146.746 9.96148 -75.9421 PRESSAVG: 1435200 83.8411 -5.63263 3.29259 -5.63261 -16.4822 13.287 3.29255 13.287 -47.9297 GPRESSAVG: 1435200 83.1818 -5.45536 4.19093 -6.23917 -14.0154 14.3099 2.76995 13.327 -49.4193 TIMING: 1435200 CPU: 4160.57, 0.00291322/step Wall: 4160.57, 0.00291322/step, 2.88474 hours remaining, 210.066406 MB of memory in use. ENERGY: 1435200 699.0220 2125.8585 1924.0853 119.2158 -206370.5935 18119.3993 0.0000 0.0000 34059.4898 -149323.5228 297.4500 -183383.0127 -149226.7851 298.8639 149.8245 186.8945 558356.7628 6.4764 6.5824 PRESSURE: 1435400 -112.346 -26.9666 34.9071 -26.9667 69.3222 140.237 34.9063 140.235 -142.157 GPRESSURE: 1435400 -53.5592 -37.8849 57.4754 14.6633 54.8407 90.0047 23.1586 15.6656 -107.114 PRESSAVG: 1435400 10.2339 12.8132 48.7323 12.8131 44.9423 2.12133 48.7324 2.12135 -64.2628 GPRESSAVG: 1435400 9.88476 10.1793 48.219 13.6739 43.2884 1.78435 48.6826 0.411476 -62.53 TIMING: 1435400 CPU: 4161.16, 0.00291668/step Wall: 4161.16, 0.00291668/step, 2.888 hours remaining, 210.191406 MB of memory in use. ENERGY: 1435400 747.1297 2085.7642 1950.6694 126.7964 -206177.9510 17647.3934 0.0000 0.0000 34322.3529 -149297.8449 299.7456 -183620.1978 -149209.9761 298.7985 -61.7269 -35.2776 557276.3806 -3.0289 -3.1189 PRESSURE: 1435600 -227.565 186.159 68.2209 186.159 26.8381 43.5057 68.2206 43.5065 97.2083 GPRESSURE: 1435600 -215.097 211.958 98.0177 140.955 89.0863 99.863 105.546 -1.39714 120.028 PRESSAVG: 1435600 -70.3723 16.228 -33.2893 16.228 83.2689 15.2746 -33.2893 15.2745 19.6084 GPRESSAVG: 1435600 -69.9076 18.3184 -31.999 13.6447 83.7136 14.999 -35.3559 16.172 18.1752 TIMING: 1435600 CPU: 4161.74, 0.00291611/step Wall: 4161.74, 0.00291611/step, 2.88728 hours remaining, 210.257812 MB of memory in use. ENERGY: 1435600 755.9695 2111.0383 1932.1166 126.3881 -206044.4140 17694.5747 0.0000 0.0000 34283.1508 -149141.1760 299.4033 -183424.3269 -149045.5248 299.3988 -34.5061 -1.9944 557862.3164 10.8350 10.6604 PRESSURE: 1435800 126.658 85.9254 171.515 85.9248 -124.093 36.1057 171.514 36.1056 39.463 GPRESSURE: 1435800 160.83 113.343 179.392 144.088 -138.265 60.9534 198.636 -59.4519 129.341 PRESSAVG: 1435800 29.5192 27.7974 -21.8408 27.7973 -68.1126 0.864824 -21.8409 0.864864 40.7307 GPRESSAVG: 1435800 29.231 29.0297 -23.7043 28.2083 -67.8499 -0.345107 -19.6912 3.27007 40.1384 TIMING: 1435800 CPU: 4162.32, 0.00292314/step Wall: 4162.32, 0.00292314/step, 2.89407 hours remaining, 210.257812 MB of memory in use. ENERGY: 1435800 706.8241 2129.9837 1928.5396 114.1554 -206092.7090 17717.4185 0.0000 0.0000 34258.7577 -149237.0301 299.1903 -183495.7878 -149148.4997 299.3469 14.0093 50.6351 557608.8730 0.7124 0.5065 PRESSURE: 1436000 94.7351 105.859 -138.239 105.86 76.3511 193.543 -138.239 193.543 147.568 GPRESSURE: 1436000 110.863 14.3301 -47.4271 163.002 111.908 124.624 -133.274 213.492 199.938 PRESSAVG: 1436000 -15.5449 -2.2663 -27.9653 -2.26637 0.398105 60.9352 -27.9653 60.9352 22.999 GPRESSAVG: 1436000 -15.4756 -4.26204 -27.1593 0.184224 0.025945 60.5372 -29.1861 60.056 23.7383 TIMING: 1436000 CPU: 4162.9, 0.00289861/step Wall: 4162.9, 0.00289861/step, 2.86962 hours remaining, 210.257812 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: 1436000 715.7140 2101.8419 1927.4526 113.9177 -206324.0907 18072.0460 0.0000 0.0000 34125.5908 -149267.5277 298.0273 -183393.1185 -149166.9598 299.0014 106.2181 140.9030 557936.8660 2.6174 2.7629 PRESSURE: 1436200 96.9214 120.868 -238.981 120.868 249.199 68.02 -238.98 68.0216 -11.3577 GPRESSURE: 1436200 140.446 76.3352 -197.826 69.1313 248.927 201.634 -286.295 -57.032 37.5265 PRESSAVG: 1436200 38.7787 -4.77832 -63.4841 -4.77825 9.88029 1.05126 -63.4841 1.05124 -31.8831 GPRESSAVG: 1436200 39.7302 -5.08843 -60.9506 -7.28821 9.34568 3.92644 -64.1452 -0.626762 -32.183 TIMING: 1436200 CPU: 4163.48, 0.00289297/step Wall: 4163.48, 0.00289297/step, 2.86388 hours remaining, 210.257812 MB of memory in use. ENERGY: 1436200 738.3608 2114.5231 1944.8347 111.6368 -206466.9150 18077.8527 0.0000 0.0000 34201.8353 -149277.8715 298.6931 -183479.7069 -149184.2057 298.9705 111.5875 142.2996 557471.8303 5.5920 5.6310 LDB: ============= START OF LOAD BALANCING ============== 4166.87 LDB: ============== END OF LOAD BALANCING =============== 4166.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4166.87 LDB: ============= START OF LOAD BALANCING ============== 4167.16 LDB: Largest compute 4792 load 0.022398 is 19.0% of average load 0.117971 LDB: Average compute 0.001702 is 1.4% of average load 0.117971 LDB: TIME 4167.16 LOAD: AVG 0.117971 MAX 0.187141 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.434 MB LDB: TIME 4167.16 LOAD: AVG 0.117971 MAX 0.187141 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: TIME 4167.16 LOAD: AVG 0.117971 MAX 0.187141 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: ============== END OF LOAD BALANCING =============== 4167.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4167.17 PRESSURE: 1436400 -99.8964 19.6474 100.415 19.6462 -99.6238 -164.507 100.414 -164.506 -176.945 GPRESSURE: 1436400 -87.0858 21.2367 47.4369 -5.88155 -20.9072 -160.465 122.761 -141.104 -166.29 PRESSAVG: 1436400 20.4032 -3.83914 -19.1126 -3.83919 21.3465 11.9151 -19.1127 11.9152 -71.2011 GPRESSAVG: 1436400 21.4536 -2.60465 -21.7742 -4.36053 19.8872 11.3463 -17.2603 13.9397 -71.1329 TIMING: 1436400 CPU: 4164.07, 0.00296276/step Wall: 4164.07, 0.00296276/step, 2.9328 hours remaining, 211.308594 MB of memory in use. ENERGY: 1436400 775.2365 2117.1193 1956.4382 113.4600 -205876.6444 17625.0830 0.0000 0.0000 34189.7374 -149099.5701 298.5875 -183289.3075 -149003.4997 298.8619 -125.4883 -91.4275 559205.9907 -9.8172 -9.9307 PRESSURE: 1436600 -124.461 -46.4876 21.5296 -46.4858 10.4243 7.45832 21.5297 7.45924 -377.322 GPRESSURE: 1436600 -58.2801 -102.417 6.60176 -32.8579 3.04826 -53.665 55.5908 52.766 -334.463 PRESSAVG: 1436600 84.4492 -3.01748 -35.2313 -3.01743 -36.5079 4.46225 -35.2312 4.46237 -20.496 GPRESSAVG: 1436600 82.2034 -4.02971 -34.2233 -2.16931 -34.5831 1.43846 -36.8634 3.03011 -20.5161 TIMING: 1436600 CPU: 4164.65, 0.00289693/step Wall: 4164.65, 0.00289693/step, 2.86748 hours remaining, 211.488281 MB of memory in use. ENERGY: 1436600 727.5334 2065.4243 1984.6168 105.0102 -205883.1843 17622.0859 0.0000 0.0000 34274.5948 -149103.9189 299.3286 -183378.5137 -149001.1838 299.2364 -163.7863 -129.8982 559716.1754 9.1484 9.0347 PRESSURE: 1436800 -278.195 -57.9867 -61.797 -57.9862 -288.006 -9.6726 -61.7974 -9.67258 -39.1847 GPRESSURE: 1436800 -229.893 -29.6904 -43.3076 -34.3867 -269.51 59.2067 -4.66508 -14.038 -7.14202 PRESSAVG: 1436800 25.687 -11.6954 -10.091 -11.6954 -41.8723 -50.4525 -10.091 -50.4524 20.1993 GPRESSAVG: 1436800 25.994 -10.5806 -10.8624 -11.2107 -40.4353 -49.1403 -8.44316 -49.516 19.3883 TIMING: 1436800 CPU: 4165.23, 0.00289464/step Wall: 4165.23, 0.00289464/step, 2.86505 hours remaining, 211.488281 MB of memory in use. ENERGY: 1436800 741.3323 2110.6104 1964.5325 98.9035 -206121.5294 17818.5342 0.0000 0.0000 34328.9612 -149058.6553 299.8034 -183387.6165 -148963.1354 299.8420 -201.7953 -168.8484 560902.2111 1.3380 1.6490 PRESSURE: 1437000 -346.183 -58.6131 -62.0463 -58.6131 -131.012 11.0641 -62.0462 11.0642 75.239 GPRESSURE: 1437000 -331.856 -103.162 -45.2841 -76.5635 -94.092 97.0265 -11.2735 -34.5696 108.898 PRESSAVG: 1437000 -62.5756 -55.5471 -38.2417 -55.5472 -45.7092 45.9146 -38.2417 45.9146 40.5567 GPRESSAVG: 1437000 -63.0606 -55.3527 -39.3253 -54.9856 -46.7712 45.2958 -38.9408 46.124 42.1985 TIMING: 1437000 CPU: 4165.81, 0.00288821/step Wall: 4165.81, 0.00288821/step, 2.85852 hours remaining, 211.488281 MB of memory in use. ENERGY: 1437000 727.4097 2153.2617 1931.5402 116.6396 -205515.6925 17590.4037 0.0000 0.0000 33968.8844 -149027.5531 296.6587 -182996.4376 -148933.3547 298.9292 -133.9851 -105.6835 560309.7685 -22.5760 -22.5444 PRESSURE: 1437200 -126.068 34.589 3.91885 34.59 -13.0409 -45.1147 3.92008 -45.1158 121.093 GPRESSURE: 1437200 -99.422 74.3325 -8.78497 71.4179 59.2088 -34.4504 69.7952 -32.549 138.47 PRESSAVG: 1437200 -76.2186 -43.5855 42.6365 -43.5854 11.6831 18.0617 42.6366 18.0618 67.7649 GPRESSAVG: 1437200 -76.7504 -44.4419 42.9718 -43.9675 13.3127 18.4806 43.5157 17.3379 66.8925 TIMING: 1437200 CPU: 4166.39, 0.00287534/step Wall: 4166.39, 0.00287534/step, 2.84563 hours remaining, 211.488281 MB of memory in use. ENERGY: 1437200 754.6536 2052.6929 1938.9701 113.9806 -206002.8862 17824.1395 0.0000 0.0000 34285.9504 -149032.4990 299.4277 -183318.4494 -148942.2763 299.4500 -6.0053 32.7523 559300.5747 1.0765 1.1516 PRESSURE: 1437400 6.1993 -134.217 105.362 -134.216 -163.317 -4.2425 105.363 -4.24194 60.7932 GPRESSURE: 1437400 84.6153 -180.604 56.6949 -132.417 -121.217 50.8428 97.9598 -39.894 36.8564 PRESSAVG: 1437400 2.04383 -12.4136 17.9295 -12.4135 -20.7185 39.5034 17.9295 39.5033 20.8394 GPRESSAVG: 1437400 2.74854 -13.1619 18.1874 -10.272 -21.7079 38.8669 16.9486 40.6198 20.5533 TIMING: 1437400 CPU: 4166.96, 0.00288769/step Wall: 4166.96, 0.00288769/step, 2.85769 hours remaining, 211.488281 MB of memory in use. ENERGY: 1437400 764.3666 2056.8006 1931.0487 115.9782 -206245.0309 18005.4483 0.0000 0.0000 34297.3406 -149074.0479 299.5272 -183371.3885 -148975.7079 299.5520 -32.1081 0.0851 559028.7031 0.7216 0.5313 PRESSURE: 1437600 -67.2297 45.1352 79.6435 45.1343 -26.8736 -45.1469 79.6432 -45.1481 11.1036 GPRESSURE: 1437600 -76.0563 9.82553 97.5551 95.0201 7.77302 -60.1556 79.9966 -21.9851 96.2849 PRESSAVG: 1437600 48.8486 51.5018 -51.4141 51.5018 19.5662 2.25354 -51.4142 2.25353 -52.1924 GPRESSAVG: 1437600 48.4883 53.1927 -51.6569 46.9324 19.9598 3.7788 -49.5477 0.651184 -51.6875 TIMING: 1437600 CPU: 4167.54, 0.00289411/step Wall: 4167.54, 0.00289411/step, 2.86388 hours remaining, 211.488281 MB of memory in use. ENERGY: 1437600 758.4468 2061.6729 1922.7262 123.1256 -205983.5237 17857.8575 0.0000 0.0000 34267.3140 -148992.3806 299.2650 -183259.6946 -148901.2917 299.9885 -27.6666 9.3339 558159.5515 5.4075 5.5868 PRESSURE: 1437800 132.299 106.923 -72.2539 106.923 -86.2654 15.9048 -72.2528 15.9034 -255.103 GPRESSURE: 1437800 135.542 108.589 -5.67643 54.648 -51.2372 3.57093 -75.1691 50.0163 -192.45 PRESSAVG: 1437800 54.8325 54.5591 -64.4954 54.5591 -13.3327 -45.2088 -64.4954 -45.2088 -46.4885 GPRESSAVG: 1437800 55.6297 53.2992 -65.8664 55.5844 -14.5951 -46.1964 -63.8784 -43.8379 -46.4511 TIMING: 1437800 CPU: 4168.13, 0.00291701/step Wall: 4168.13, 0.00291701/step, 2.88638 hours remaining, 211.488281 MB of memory in use. ENERGY: 1437800 733.3662 2134.9673 1940.5467 123.7945 -206193.4703 17750.4504 0.0000 0.0000 34420.6260 -149089.7193 300.6039 -183510.3452 -148990.0678 300.1134 -69.6898 -36.0483 558309.7023 -1.6629 -1.8055 PRESSURE: 1438000 -114.584 132.476 -42.7613 132.476 101.336 -88.3801 -42.7611 -88.3797 -32.2449 GPRESSURE: 1438000 -99.8991 173.012 -144.542 89.708 119.305 -14.373 -27.8239 -103.142 43.4601 PRESSAVG: 1438000 68.6687 -25.0446 -26.1375 -25.0446 -4.5008 -32.1837 -26.1375 -32.1837 -57.666 GPRESSAVG: 1438000 68.5435 -25.0738 -24.2311 -23.3198 -4.19935 -31.4348 -25.8297 -30.6464 -57.0369 TIMING: 1438000 CPU: 4168.7, 0.00288451/step Wall: 4168.7, 0.00288451/step, 2.85407 hours remaining, 211.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1438000 728.2032 2097.6914 1954.2835 123.0242 -205992.9713 17712.9729 0.0000 0.0000 34194.8182 -149181.9778 298.6319 -183376.7960 -149086.3293 299.2585 -15.1641 20.9552 558513.8292 2.1673 2.4358 PRESSURE: 1438200 214.384 -24.0101 -71.4884 -24.0091 -20.1956 127.222 -71.4881 127.219 -190.562 GPRESSURE: 1438200 265.096 -47.1921 -72.8872 83.8443 -16.3077 107.329 -48.6379 140.718 -152.88 PRESSAVG: 1438200 109.149 -7.34605 -15.8449 -7.346 -25.275 23.2854 -15.8449 23.2853 -97.175 GPRESSAVG: 1438200 108.823 -7.19793 -17.1616 -7.05382 -24.7227 25.2936 -17.1126 21.1494 -97.6966 TIMING: 1438200 CPU: 4169.28, 0.00288367/step Wall: 4169.28, 0.00288367/step, 2.85308 hours remaining, 211.488281 MB of memory in use. ENERGY: 1438200 756.6998 2105.9429 1972.0965 130.1307 -206172.2865 17865.0833 0.0000 0.0000 34176.3228 -149166.0106 298.4703 -183342.3335 -149069.5917 299.3757 1.2088 31.9695 557306.9514 -4.4337 -4.5322 PRESSURE: 1438400 153.124 162.605 9.87324 162.605 169.245 18.0308 9.87251 18.031 36.4574 GPRESSURE: 1438400 216.291 132.487 32.1901 172.15 172.468 -2.88507 -16.6555 -75.6935 64.1368 PRESSAVG: 1438400 52.6762 20.7148 -31.5872 20.7148 -33.2765 13.0455 -31.5872 13.0453 -33.5099 GPRESSAVG: 1438400 52.4416 19.6796 -30.1936 21.4605 -33.4788 10.9824 -31.917 15.2697 -32.8514 TIMING: 1438400 CPU: 4169.86, 0.00290824/step Wall: 4169.86, 0.00290824/step, 2.87722 hours remaining, 211.488281 MB of memory in use. ENERGY: 1438400 774.7988 2065.3978 1928.7050 112.7563 -206322.7664 17984.9622 0.0000 0.0000 34345.8407 -149110.3055 299.9508 -183456.1462 -149015.1059 299.0556 119.6088 150.9653 557198.5262 -4.7034 -4.6295 PRESSURE: 1438600 54.1533 -69.5138 217.852 -69.5136 -165.602 21.6247 217.851 21.625 277.637 GPRESSURE: 1438600 103.187 53.3852 192.598 -145.963 -126.561 16.0496 141.383 9.16211 296.598 PRESSAVG: 1438600 -14.1885 57.2725 -28.6613 57.2725 -70.9184 58.0151 -28.6613 58.0151 102.778 GPRESSAVG: 1438600 -13.5468 60.3581 -28.1936 53.7235 -71.1455 57.9198 -29.8866 56.9296 102.863 TIMING: 1438600 CPU: 4170.44, 0.00290028/step Wall: 4170.44, 0.00290028/step, 2.86918 hours remaining, 211.488281 MB of memory in use. ENERGY: 1438600 788.6059 2148.6146 1940.7704 116.4214 -206137.6615 17866.6721 0.0000 0.0000 34229.5488 -149047.0284 298.9352 -183276.5772 -148955.9757 299.6824 55.3961 91.0746 557235.5897 5.8903 6.0569 PRESSURE: 1438800 -191.477 8.77712 64.0925 8.77849 -220.082 168.545 64.0927 168.547 111.709 GPRESSURE: 1438800 -168.06 18.7898 24.4393 48.2692 -186.842 96.0854 184.333 149.189 145.333 PRESSAVG: 1438800 -17.5166 22.6329 -0.301956 22.6329 12.3122 71.504 -0.301912 71.5041 65.6489 GPRESSAVG: 1438800 -18.76 20.8613 2.166 24.4661 13.4297 72.9781 -0.187532 70.4528 65.6492 TIMING: 1438800 CPU: 4171.02, 0.00291245/step Wall: 4171.02, 0.00291245/step, 2.88106 hours remaining, 211.488281 MB of memory in use. ENERGY: 1438800 764.3827 2095.3985 1955.9042 108.4661 -206188.6252 17768.4196 0.0000 0.0000 34220.5321 -149275.5221 298.8564 -183496.0541 -149178.8821 299.6676 -99.9500 -69.8566 557291.3446 20.1482 20.1063 PRESSURE: 1439000 -315.545 163.734 -40.03 163.734 -89.4662 15.8263 -40.0297 15.8262 191.266 GPRESSURE: 1439000 -279.845 221.154 -45.8195 161.712 -64.959 114.483 -8.965 -11.2849 223.285 PRESSAVG: 1439000 -51.8772 48.9922 -24.2338 48.9922 -6.78208 57.4716 -24.2338 57.4716 40.1323 GPRESSAVG: 1439000 -51.542 48.1754 -28.7645 48.3452 -7.06185 55.5688 -22.6686 57.5844 40.3343 TIMING: 1439000 CPU: 4171.61, 0.00291563/step Wall: 4171.61, 0.00291563/step, 2.88405 hours remaining, 211.488281 MB of memory in use. ENERGY: 1439000 732.1558 2050.8133 1944.8006 115.7151 -206168.8246 17800.8489 0.0000 0.0000 34059.5519 -149464.9391 297.4505 -183524.4910 -149368.9796 299.1791 -71.2486 -40.5064 555609.2058 -6.1757 -6.0899 PRESSURE: 1439200 73.4325 -103.494 60.923 -103.494 106.922 191.806 60.9233 191.807 0.947949 GPRESSURE: 1439200 172.72 -230.24 31.6695 -9.59755 78.1967 201.603 166.573 117.904 16.5713 PRESSAVG: 1439200 -30.3514 16.0075 -28.3337 16.0075 -1.45027 30.9628 -28.3338 30.9629 33.6186 GPRESSAVG: 1439200 -29.0442 16.5884 -26.4841 15.445 -2.27409 33.1872 -28.2623 29.984 33.2259 TIMING: 1439200 CPU: 4172.19, 0.00291123/step Wall: 4172.19, 0.00291123/step, 2.87953 hours remaining, 211.488281 MB of memory in use. ENERGY: 1439200 713.5881 2144.9484 1938.8182 121.9960 -206712.6825 17937.4488 0.0000 0.0000 34229.2587 -149626.6243 298.9326 -183855.8830 -149528.9942 298.1362 60.4341 89.1628 556331.5682 0.6056 0.6359 PRESSURE: 1439400 -358.701 -22.8377 57.6253 -22.8375 -191.135 -78.6568 57.6245 -78.6554 -82.8987 GPRESSURE: 1439400 -334.088 -41.8639 37.1951 -37.4405 -168.635 -53.4402 112.737 -50.2115 -35.8757 PRESSAVG: 1439400 12.4677 50.7567 -11.2803 50.7568 -43.8204 17.3029 -11.2803 17.3031 -22.405 GPRESSAVG: 1439400 12.1471 50.8922 -11.8259 51.1773 -42.8771 17.8946 -11.073 19.3409 -23.1499 TIMING: 1439400 CPU: 4172.76, 0.00287559/step Wall: 4172.76, 0.00287559/step, 2.84411 hours remaining, 211.488281 MB of memory in use. ENERGY: 1439400 798.0959 2083.4888 1925.8958 104.3093 -205959.2760 17485.3835 0.0000 0.0000 34083.9770 -149478.1257 297.6638 -183562.1027 -149377.8147 298.7686 -210.9118 -179.5331 558030.2377 -17.9192 -17.9600 PRESSURE: 1439600 147.916 -95.5682 -22.9447 -95.5672 77.2988 -27.9477 -22.945 -27.9481 -198.998 GPRESSURE: 1439600 163.314 -94.2828 -16.5393 -137.83 100.3 79.3221 4.49164 -75.1014 -127.452 PRESSAVG: 1439600 2.53706 -0.112953 -0.93851 -0.112961 -9.07663 -68.3523 -0.938505 -68.3523 75.1589 GPRESSAVG: 1439600 2.21012 1.11388 -1.26244 0.140308 -9.16686 -70.499 -0.93693 -68.5227 75.6634 TIMING: 1439600 CPU: 4173.34, 0.00287555/step Wall: 4173.34, 0.00287555/step, 2.84392 hours remaining, 211.488281 MB of memory in use. ENERGY: 1439600 742.5331 2137.8002 1918.7936 121.6390 -206623.6704 17899.4819 0.0000 0.0000 34258.9433 -149544.4793 299.1919 -183803.4227 -149454.3119 298.2692 8.7390 45.3873 557862.3424 22.8731 22.9022 PRESSURE: 1439800 -9.78482 20.9693 -127.066 20.9687 -21.1054 -26.1236 -127.065 -26.1228 -80.772 GPRESSURE: 1439800 58.6101 -50.3987 -83.4065 39.3198 37.4549 -80.0045 -144.471 -15.3295 -97.8822 PRESSAVG: 1439800 40.9234 -32.1404 39.6344 -32.1404 -48.1588 -36.0685 39.6344 -36.0684 4.03549 GPRESSAVG: 1439800 40.7732 -33.2726 41.5342 -32.6844 -47.7819 -35.2629 39.4522 -36.2987 3.54336 TIMING: 1439800 CPU: 4173.92, 0.00288703/step Wall: 4173.92, 0.00288703/step, 2.85511 hours remaining, 211.488281 MB of memory in use. ENERGY: 1439800 747.9855 2101.5518 1930.9719 110.7216 -206142.1568 17780.1989 0.0000 0.0000 34086.4805 -149384.2467 297.6857 -183470.7272 -149285.1897 298.6440 -37.2207 -0.6058 557240.8329 -1.0666 -1.1551 PRESSURE: 1440000 -447.803 45.016 11.5033 45.0167 -302.34 194.524 11.5023 194.522 -94.5989 GPRESSURE: 1440000 -403.606 50.0278 -5.74499 74.466 -310.476 246.924 20.6935 156.969 -41.6111 PRESSAVG: 1440000 29.7862 -9.47824 2.03331 -9.47824 22.3948 9.78007 2.03326 9.77997 -19.7521 GPRESSAVG: 1440000 29.9316 -9.9058 0.204173 -9.49083 20.97 9.95279 1.23128 9.76522 -18.6546 TIMING: 1440000 CPU: 4174.5, 0.0028966/step Wall: 4174.5, 0.0028966/step, 2.86441 hours remaining, 211.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1440000 786.2336 2130.1387 1929.0195 116.5815 -205891.1184 17220.3936 0.0000 0.0000 34216.2389 -149492.5127 298.8189 -183708.7515 -149393.0095 299.5533 -281.5806 -251.8978 556811.8019 10.8096 10.7490 PRESSURE: 1440200 166.968 62.9667 98.6617 62.9672 86.7191 13.9268 98.662 13.9263 205.767 GPRESSURE: 1440200 252.643 131.412 127.953 49.5023 51.3555 82.6412 56.5145 93.3756 257.879 PRESSAVG: 1440200 -27.1747 45.2563 -2.30502 45.2564 35.7308 61.1632 -2.30503 61.1632 -17.4359 GPRESSAVG: 1440200 -26.149 45.8089 -3.69806 44.8982 35.243 61.3516 -0.47003 60.0965 -17.692 TIMING: 1440200 CPU: 4175.07, 0.00288822/step Wall: 4175.07, 0.00288822/step, 2.85597 hours remaining, 211.488281 MB of memory in use. ENERGY: 1440200 726.3867 2129.9244 1903.1335 105.9852 -206754.2929 18054.5575 0.0000 0.0000 34355.5444 -149478.7612 300.0355 -183834.3057 -149378.3413 298.2374 153.1513 187.2924 556136.3728 -2.9599 -2.8660 LDB: ============= START OF LOAD BALANCING ============== 4178.46 LDB: ============== END OF LOAD BALANCING =============== 4178.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4178.46 LDB: ============= START OF LOAD BALANCING ============== 4178.75 LDB: Largest compute 4792 load 0.022647 is 19.2% of average load 0.117954 LDB: Average compute 0.001699 is 1.4% of average load 0.117954 LDB: TIME 4178.75 LOAD: AVG 0.117954 MAX 0.181845 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.277 MB LDB: TIME 4178.75 LOAD: AVG 0.117954 MAX 0.181845 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: TIME 4178.75 LOAD: AVG 0.117954 MAX 0.181845 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4178.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4178.76 PRESSURE: 1440400 -259.41 20.786 -8.09539 20.7868 -140.29 -40.8902 -8.09378 -40.8913 -12.4623 GPRESSURE: 1440400 -248.214 -17.2043 -42.0926 76.655 -50.2662 2.98715 42.6064 -69.2206 -14.5357 PRESSAVG: 1440400 -37.4093 52.4004 -25.4171 52.4004 60.5525 -6.41281 -25.4172 -6.41283 -63.4576 GPRESSAVG: 1440400 -38.2289 53.7682 -25.6332 50.8014 61.9057 -7.48427 -25.492 -5.63674 -63.9007 TIMING: 1440400 CPU: 4175.66, 0.00294952/step Wall: 4175.66, 0.00294952/step, 2.91642 hours remaining, 210.210938 MB of memory in use. ENERGY: 1440400 757.9984 2123.5267 1940.3337 107.3115 -205611.8363 17273.4312 0.0000 0.0000 34131.5381 -149277.6967 298.0792 -183409.2347 -149182.1407 298.7844 -137.3876 -104.3386 556432.4406 -13.4381 -13.4080 PRESSURE: 1440600 103.929 59.2406 -45.3699 59.2415 -90.2113 -76.6242 -45.3706 -76.6227 -217.342 GPRESSURE: 1440600 213.536 104.516 -12.3108 -25.2035 -87.1251 -49.2829 -53.0077 -80.1072 -241.291 PRESSAVG: 1440600 0.147703 19.8938 -57.8333 19.8936 11.4996 6.18603 -57.8333 6.18592 -47.9892 GPRESSAVG: 1440600 1.56366 17.1071 -54.7656 20.3058 10.889 7.0317 -58.8684 5.43386 -48.091 TIMING: 1440600 CPU: 4176.24, 0.00290776/step Wall: 4176.24, 0.00290776/step, 2.87497 hours remaining, 210.210938 MB of memory in use. ENERGY: 1440600 742.0211 2113.0528 1952.5028 115.0400 -206315.0577 17759.1535 0.0000 0.0000 34242.3135 -149390.9741 299.0466 -183633.2876 -149293.2510 299.4933 -67.8746 -38.2935 556886.7322 -12.1140 -11.8794 PRESSURE: 1440800 -178.362 -10.2061 -50.693 -10.2066 -164.089 -23.1815 -50.6934 -23.1825 -284.808 GPRESSURE: 1440800 -135.552 -103.919 -43.5531 -8.23806 -177.541 -103.503 -44.0619 69.0343 -218.088 PRESSAVG: 1440800 2.6152 0.329464 -38.415 0.329393 5.30644 -19.887 -38.4151 -19.8872 -12.0344 GPRESSAVG: 1440800 2.2223 2.24015 -37.7015 0.266882 6.10378 -19.4009 -39.2508 -20.107 -12.3002 TIMING: 1440800 CPU: 4176.82, 0.00288271/step Wall: 4176.82, 0.00288271/step, 2.85004 hours remaining, 210.210938 MB of memory in use. ENERGY: 1440800 790.3260 2131.6267 1899.3638 123.9418 -206125.0563 17563.6812 0.0000 0.0000 34154.2604 -149461.8563 298.2777 -183616.1168 -149366.0263 298.9935 -209.0862 -177.0605 556751.1172 -1.3709 -1.3247 PRESSURE: 1441000 108.23 -100.822 -61.644 -100.821 -43.2643 -130.511 -61.6424 -130.512 -131.893 GPRESSURE: 1441000 126.031 -80.0773 -47.2842 -33.8946 42.6547 -43.1296 -19.8258 -91.8251 -137.271 PRESSAVG: 1441000 42.1172 -38.9088 -20.1016 -38.9088 -18.7811 -33.6042 -20.1016 -33.6043 -39.4435 GPRESSAVG: 1441000 41.5317 -38.1159 -20.0101 -38.2225 -19.106 -34.5166 -18.819 -32.6572 -38.2322 TIMING: 1441000 CPU: 4177.4, 0.0028731/step Wall: 4177.4, 0.0028731/step, 2.84038 hours remaining, 210.210938 MB of memory in use. ENERGY: 1441000 755.4241 2072.4646 1957.6864 122.1758 -206639.4904 17961.7597 0.0000 0.0000 34233.2094 -149536.7702 298.9671 -183769.9797 -149445.9436 298.2558 -22.3092 10.4716 556584.9367 -5.3692 -5.2689 PRESSURE: 1441200 -245.515 -257.719 -50.724 -257.718 -274.484 -101.665 -50.7248 -101.666 59.8792 GPRESSURE: 1441200 -166.323 -235.205 -21.4546 -214.787 -209.1 -116.4 -53.3995 -83.1459 19.8193 PRESSAVG: 1441200 58.0448 -31.1816 4.08784 -31.1816 -56.2992 18.5616 4.08798 18.5616 3.16116 GPRESSAVG: 1441200 57.7554 -33.5244 1.84766 -29.5622 -56.3188 17.3858 3.6053 18.3383 3.10881 TIMING: 1441200 CPU: 4177.98, 0.00291031/step Wall: 4177.98, 0.00291031/step, 2.877 hours remaining, 210.414062 MB of memory in use. ENERGY: 1441200 751.3967 2117.3925 1914.6533 126.7970 -206292.6664 17713.0908 0.0000 0.0000 34191.5592 -149477.7768 298.6034 -183669.3361 -149376.9788 298.8571 -153.3733 -118.5345 557323.3241 1.6356 1.5151 PRESSURE: 1441400 155.999 -88.4841 -156.869 -88.4837 42.3317 41.6143 -156.869 41.6117 151.524 GPRESSURE: 1441400 212.404 -36.6518 -66.7161 -90.7653 67.2182 3.17984 -131.18 138.542 168.402 PRESSAVG: 1441400 8.01871 -58.3201 38.8101 -58.3201 -76.7579 -5.39513 38.8101 -5.39525 63.9332 GPRESSAVG: 1441400 8.29479 -56.5563 40.8955 -58.1201 -75.264 -5.12464 39.663 -6.20739 62.1346 TIMING: 1441400 CPU: 4178.55, 0.0028835/step Wall: 4178.55, 0.0028835/step, 2.85034 hours remaining, 210.414062 MB of memory in use. ENERGY: 1441400 746.5768 2074.8860 1938.3685 130.6059 -206722.1183 17953.4091 0.0000 0.0000 34345.7985 -149532.4736 299.9504 -183878.2721 -149441.4755 298.8207 116.6184 149.3416 555756.8988 -1.6020 -1.6115 PRESSURE: 1441600 -74.5247 218.557 -11.34 218.555 66.8279 -242.506 -11.3403 -242.506 52.025 GPRESSURE: 1441600 -41.1149 176.884 -39.3171 219.104 121.792 -322.643 -51.7427 -197.868 65.3635 PRESSAVG: 1441600 53.0826 -23.13 -21.2616 -23.13 -87.5872 -37.3408 -21.2617 -37.3407 40.0714 GPRESSAVG: 1441600 52.9292 -23.1996 -22.3011 -23.8347 -88.7411 -36.7539 -21.9256 -36.1521 41.5083 TIMING: 1441600 CPU: 4179.14, 0.00292444/step Wall: 4179.14, 0.00292444/step, 2.89065 hours remaining, 210.414062 MB of memory in use. ENERGY: 1441600 753.3578 2101.5023 1962.6921 116.4067 -206668.3968 17984.9039 0.0000 0.0000 34293.2519 -149456.2821 299.4915 -183749.5340 -149357.9845 298.4613 14.7761 48.6802 557839.5014 1.8556 1.8988 PRESSURE: 1441800 -40.9601 -86.1055 2.63258 -86.1056 -13.9731 -53.9818 2.63231 -53.9805 -49.2778 GPRESSURE: 1441800 30.7025 -89.9499 52.127 -102.043 0.491412 -72.7133 69.6345 -17.8142 -28.4299 PRESSAVG: 1441800 -1.75033 13.9741 33.468 13.974 18.2119 -25.1609 33.4679 -25.1607 2.06146 GPRESSAVG: 1441800 -1.767 15.4024 34.4419 13.3617 17.6357 -23.9344 33.1542 -25.9432 1.91021 TIMING: 1441800 CPU: 4179.72, 0.00290023/step Wall: 4179.72, 0.00290023/step, 2.86656 hours remaining, 210.484375 MB of memory in use. ENERGY: 1441800 744.2780 2053.6207 1903.0198 108.7509 -206464.4396 17873.4407 0.0000 0.0000 34172.4000 -149608.9294 298.4361 -183781.3294 -149511.4235 298.3367 -34.7370 0.9214 557545.2094 6.1743 5.9263 PRESSURE: 1442000 -192.427 -59.3092 -34.3186 -59.3103 249.784 -1.32721 -34.3189 -1.32478 -135.407 GPRESSURE: 1442000 -146.431 -5.57465 -55.9651 -6.08652 279.424 -27.6984 -57.156 -8.45508 -120.051 PRESSAVG: 1442000 2.76055 -11.0733 -48.0869 -11.0733 14.5231 -18.5555 -48.087 -18.5555 -40.8333 GPRESSAVG: 1442000 1.73391 -10.7785 -47.0426 -13.3493 14.0445 -19.8832 -48.8321 -18.5679 -39.3994 TIMING: 1442000 CPU: 4180.3, 0.00291084/step Wall: 4180.3, 0.00291084/step, 2.87688 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1442000 750.8793 2088.6067 1944.3769 109.1841 -206399.1649 17791.3647 0.0000 0.0000 34277.1211 -149437.6321 299.3506 -183714.7531 -149343.0534 298.5721 -26.0166 4.3143 556381.4053 -7.8499 -7.8737 PRESSURE: 1442200 28.1246 -11.5041 -69.3783 -11.5033 8.69113 -6.56885 -69.3779 -6.57018 71.0973 GPRESSURE: 1442200 91.1197 33.0248 -16.7849 30.5056 48.4615 -84.7247 -139.48 42.0965 62.3935 PRESSAVG: 1442200 -104.873 20.331 -14.6703 20.331 96.9687 8.74592 -14.6703 8.74594 30.7749 GPRESSAVG: 1442200 -103.871 20.2342 -17.9871 23.4002 97.0982 8.92496 -11.6095 7.74073 28.6951 TIMING: 1442200 CPU: 4180.88, 0.00290049/step Wall: 4180.88, 0.00290049/step, 2.86649 hours remaining, 210.484375 MB of memory in use. ENERGY: 1442200 722.7830 2144.2972 1905.5120 116.2217 -206278.8195 17837.0328 0.0000 0.0000 34231.8958 -149321.0771 298.9557 -183552.9729 -149231.7044 298.9121 35.9710 67.3249 557890.0574 7.6234 7.3075 PRESSURE: 1442400 -136.249 -144.16 -46.9963 -144.16 -449.34 -21.5097 -46.9957 -21.5098 -290.014 GPRESSURE: 1442400 -173.85 -166.511 -83.9915 -115.507 -407.081 -75.3134 -92.0626 49.9623 -220.069 PRESSAVG: 1442400 -18.99 7.75409 -33.6589 7.75407 1.44853 31.9021 -33.6588 31.902 -1.05981 GPRESSAVG: 1442400 -19.2625 5.73885 -33.29 8.09442 1.5504 31.361 -34.5445 32.8787 -0.948013 TIMING: 1442400 CPU: 4181.46, 0.00288266/step Wall: 4181.46, 0.00288266/step, 2.84871 hours remaining, 210.484375 MB of memory in use. ENERGY: 1442400 778.1728 2081.7971 1912.0598 113.1196 -205974.1141 17593.6880 0.0000 0.0000 34224.9758 -149270.3011 298.8952 -183495.2769 -149173.2467 299.0079 -291.8676 -267.0000 558572.8024 -6.2004 -6.2200 PRESSURE: 1442600 -257.197 -7.34986 37.2645 -7.34992 -176.866 -0.70576 37.2637 -0.706272 -103.607 GPRESSURE: 1442600 -210.33 -26.6811 24.7764 28.6903 -140.165 -11.7447 10.8562 -78.9786 -79.6925 PRESSAVG: 1442600 -16.1803 -36.3606 25.2538 -36.3606 19.7556 6.31851 25.2537 6.31849 12.1106 GPRESSAVG: 1442600 -16.5537 -35.0355 25.592 -39.2992 20.6405 6.47313 24.4774 7.7708 11.4184 TIMING: 1442600 CPU: 4182.04, 0.00290851/step Wall: 4182.04, 0.00290851/step, 2.87409 hours remaining, 210.484375 MB of memory in use. ENERGY: 1442600 735.6637 2063.8372 1909.2328 108.6330 -205809.8166 17502.7985 0.0000 0.0000 34235.6766 -149253.9748 298.9887 -183489.6514 -149159.0597 299.1927 -179.2233 -143.3957 558401.5188 5.2286 5.1684 PRESSURE: 1442800 -28.0894 -85.8912 -111.232 -85.8926 -146.632 143.82 -111.23 143.821 -192.527 GPRESSURE: 1442800 13.8661 -105.157 -65.9188 31.765 -114.107 183.917 -111.958 164.865 -162.438 PRESSAVG: 1442800 -19.047 -8.90907 -3.73721 -8.90909 -23.4544 8.5459 -3.73732 8.54598 11.5743 GPRESSAVG: 1442800 -18.7751 -6.73226 -2.51567 -9.07715 -24.3255 6.49108 -2.90593 7.92153 11.8671 TIMING: 1442800 CPU: 4182.62, 0.00290257/step Wall: 4182.62, 0.00290257/step, 2.86806 hours remaining, 210.484375 MB of memory in use. ENERGY: 1442800 771.2010 2066.1756 1951.5591 114.8891 -206404.7100 17814.8943 0.0000 0.0000 34381.6319 -149304.3590 300.2633 -183685.9909 -149211.2960 299.0695 -122.4160 -87.5595 556504.7718 -10.3090 -10.4112 PRESSURE: 1443000 -138.306 1.33416 -43.3205 1.33577 -182.365 9.40863 -43.3219 9.41026 -261.388 GPRESSURE: 1443000 -84.2751 10.5888 -89.9063 -56.8716 -140.625 54.4589 -58.7682 -25.9157 -253.41 PRESSAVG: 1443000 3.97943 11.7696 -44.5757 11.7696 -16.1366 -28.4644 -44.5756 -28.4644 41.8258 GPRESSAVG: 1443000 3.32098 9.73417 -44.6122 13.6033 -15.8927 -24.6965 -46.2956 -29.5822 41.9782 TIMING: 1443000 CPU: 4183.2, 0.00291197/step Wall: 4183.2, 0.00291197/step, 2.87719 hours remaining, 210.484375 MB of memory in use. ENERGY: 1443000 752.3178 2065.1347 1978.7197 120.8275 -205966.8797 17484.7565 0.0000 0.0000 34326.0349 -149239.0887 299.7778 -183565.1235 -149139.7787 299.5964 -194.0196 -159.4365 557231.1698 9.8895 9.8022 PRESSURE: 1443200 -180.793 151.208 116.952 151.209 23.6821 -74.0341 116.953 -74.0322 -43.3521 GPRESSURE: 1443200 -161.556 34.1513 55.6644 121.234 30.7165 -94.0501 159.265 -171.708 19.0939 PRESSAVG: 1443200 -21.2466 38.8172 2.04686 38.8173 -10.9339 -6.96423 2.04686 -6.96424 -41.0145 GPRESSAVG: 1443200 -21.8741 38.9098 1.38995 38.5512 -10.1701 -7.92281 2.25345 -7.33561 -40.3371 TIMING: 1443200 CPU: 4183.78, 0.00288519/step Wall: 4183.78, 0.00288519/step, 2.85057 hours remaining, 210.484375 MB of memory in use. ENERGY: 1443200 705.3928 2163.5638 1968.6162 110.4983 -206042.0243 17510.9840 0.0000 0.0000 34238.6965 -149344.2727 299.0151 -183582.9692 -149249.2831 299.4364 -66.8209 -37.2485 556004.7640 -24.3983 -24.1271 PRESSURE: 1443400 -175.042 -90.1834 95.8034 -90.1841 -2.37885 55.8924 95.8021 55.8917 -84.2101 GPRESSURE: 1443400 -111.831 -58.145 140.067 -116.787 12.743 46.2116 110.121 112.925 -49.1235 PRESSAVG: 1443400 -87.52 -58.2272 -8.44868 -58.2272 25.3088 -54.6743 -8.44874 -54.6743 15.051 GPRESSAVG: 1443400 -85.6206 -57.5981 -8.19818 -59.4258 24.6783 -52.8631 -5.89149 -55.8286 14.2433 TIMING: 1443400 CPU: 4184.35, 0.00286805/step Wall: 4184.35, 0.00286805/step, 2.83347 hours remaining, 210.484375 MB of memory in use. ENERGY: 1443400 738.3761 2120.0212 1963.3111 114.5328 -206188.2203 17759.9379 0.0000 0.0000 34255.8007 -149236.2404 299.1644 -183492.0411 -149142.3145 298.9048 -87.2103 -49.4038 558172.6683 -15.7201 -15.5663 PRESSURE: 1443600 160.487 43.1742 44.1822 43.1748 110.44 -286.394 44.1812 -286.392 240.879 GPRESSURE: 1443600 190.777 40.4126 83.1017 12.1035 112.006 -252.76 33.288 -244.955 324.124 PRESSAVG: 1443600 -8.94869 17.9965 19.1774 17.9964 21.2747 -58.2046 19.1774 -58.2045 6.72836 GPRESSAVG: 1443600 -11.1978 16.6813 20.9193 17.4474 23.1124 -59.5901 16.5602 -55.9681 7.11426 TIMING: 1443600 CPU: 4184.93, 0.00289553/step Wall: 4184.93, 0.00289553/step, 2.86046 hours remaining, 210.484375 MB of memory in use. ENERGY: 1443600 748.8101 2136.6629 1929.1408 105.0098 -206821.9638 18230.5309 0.0000 0.0000 34250.2470 -149421.5623 299.1159 -183671.8093 -149322.6339 299.2606 170.6021 208.9690 555954.3700 6.3514 6.3430 PRESSURE: 1443800 4.68309 -57.1245 23.3959 -57.1245 270.227 -140.609 23.3953 -140.606 78.7946 GPRESSURE: 1443800 159.282 97.1488 100.428 -119.732 214.809 -133.316 -38.1401 -121.552 74.8463 PRESSAVG: 1443800 -67.8489 -4.78864 81.0649 -4.78863 2.17428 -50.9832 81.0648 -50.9833 72.5426 GPRESSAVG: 1443800 -65.5532 -3.06117 78.1544 -3.55278 0.446879 -52.0234 82.0714 -49.9115 73.2435 TIMING: 1443800 CPU: 4185.51, 0.00289558/step Wall: 4185.51, 0.00289558/step, 2.86035 hours remaining, 210.484375 MB of memory in use. ENERGY: 1443800 769.4890 2082.4096 1942.7112 115.8687 -206548.5715 17978.1292 0.0000 0.0000 34277.8387 -149382.1251 299.3569 -183659.9638 -149293.5812 299.5790 117.9017 149.6459 555699.1015 2.2893 2.7124 PRESSURE: 1444000 -36.1958 83.4543 97.5182 83.4529 -78.6022 52.2928 97.5182 52.2913 33.9001 GPRESSURE: 1444000 12.9988 102.896 130.099 69.0256 -58.0893 6.13583 103.083 58.0923 68.7922 PRESSAVG: 1444000 32.6698 -15.7143 -37.3374 -15.7142 77.1913 -18.3251 -37.3372 -18.3251 -51.5392 GPRESSAVG: 1444000 33.23 -17.3427 -33.9631 -16.027 76.741 -18.0942 -38.1222 -19.7644 -51.7187 TIMING: 1444000 CPU: 4186.09, 0.00290254/step Wall: 4186.09, 0.00290254/step, 2.86706 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1444000 745.2815 2094.0735 1929.4942 117.3792 -206189.9572 17646.5446 0.0000 0.0000 34224.0930 -149433.0912 298.8875 -183657.1842 -149330.6952 299.9671 -26.9660 7.9006 556532.8050 19.4407 19.4174 PRESSURE: 1444200 -75.7581 9.58269 -42.9515 9.58287 -221.174 -1.22915 -42.952 -1.22967 -2.04566 GPRESSURE: 1444200 -53.1919 -64.9392 22.5813 -52.2538 -156.421 -35.2642 -85.1538 16.3008 8.48193 PRESSAVG: 1444200 3.90231 30.9926 7.05347 30.9927 32.4163 20.4825 7.05349 20.4826 -1.47918 GPRESSAVG: 1444200 2.87987 32.085 5.74833 28.9366 33.1659 21.1413 7.4614 21.7591 -1.80322 TIMING: 1444200 CPU: 4186.68, 0.0029171/step Wall: 4186.68, 0.00291709/step, 2.88128 hours remaining, 210.484375 MB of memory in use. ENERGY: 1444200 733.4425 2085.9064 1937.9845 120.8080 -206395.1999 17888.1696 0.0000 0.0000 34170.0523 -149458.8367 298.4156 -183628.8890 -149358.3577 298.5647 -99.6591 -67.0437 557306.5430 11.6132 11.4142 LDB: ============= START OF LOAD BALANCING ============== 4190.06 LDB: ============== END OF LOAD BALANCING =============== 4190.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4190.06 LDB: ============= START OF LOAD BALANCING ============== 4190.35 LDB: Largest compute 4792 load 0.023169 is 19.6% of average load 0.117960 LDB: Average compute 0.001709 is 1.4% of average load 0.117960 LDB: TIME 4190.36 LOAD: AVG 0.11796 MAX 0.185828 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.438 MB LDB: TIME 4190.36 LOAD: AVG 0.11796 MAX 0.185828 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.641 MB LDB: TIME 4190.36 LOAD: AVG 0.11796 MAX 0.185828 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.641 MB LDB: ============== END OF LOAD BALANCING =============== 4190.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4190.36 PRESSURE: 1444400 86.1217 -38.9403 -82.3231 -38.941 -216.192 -60.4718 -82.3226 -60.4725 -114.899 GPRESSURE: 1444400 168.996 4.92913 0.91638 -38.8112 -180.726 -51.66 -100.566 17.2993 -130.423 PRESSAVG: 1444400 -32.4904 -3.88169 -0.0264563 -3.88171 -4.70069 -22.4295 -0.0264538 -22.4295 56.4272 GPRESSAVG: 1444400 -33.4828 -6.33091 0.972716 -2.69039 -3.2121 -22.2769 -0.662556 -24.1326 55.8181 TIMING: 1444400 CPU: 4187.27, 0.00295404/step Wall: 4187.27, 0.00295404/step, 2.9176 hours remaining, 208.917969 MB of memory in use. ENERGY: 1444400 737.7071 2114.8721 1927.2125 114.7976 -206275.6220 17688.8247 0.0000 0.0000 34125.4309 -149566.7770 298.0259 -183692.2079 -149469.9780 297.9869 -81.6562 -47.3842 557573.3795 6.4120 6.3744 PRESSURE: 1444600 -6.50922 -75.1596 -42.0147 -75.1603 -223.895 -83.5369 -42.0133 -83.5368 117.779 GPRESSURE: 1444600 -1.03311 -146.486 -55.8944 -141.696 -169.304 21.3967 -74.1366 -57.1674 151.688 PRESSAVG: 1444600 11.6964 -24.3849 43.7792 -24.3848 -46.9657 -17.6989 43.7793 -17.6988 13.4684 GPRESSAVG: 1444600 11.5758 -24.5464 40.9893 -23.4856 -47.1378 -15.7321 45.4457 -17.563 13.9534 TIMING: 1444600 CPU: 4187.85, 0.00292037/step Wall: 4187.85, 0.00292037/step, 2.88419 hours remaining, 209.121094 MB of memory in use. ENERGY: 1444600 758.9852 2127.7634 1952.4895 110.8797 -206118.1473 17708.2063 0.0000 0.0000 34141.9942 -149317.8291 298.1705 -183459.8232 -149218.5214 298.2577 -37.5418 -6.2163 558414.5335 -7.2669 -7.2029 PRESSURE: 1444800 54.1184 6.29006 -101.835 6.29066 -243.488 -140.992 -101.835 -140.993 -136.037 GPRESSURE: 1444800 97.4113 24.6626 -87.3852 -100.704 -218.531 -95.8528 -95.5117 -98.1969 -100.172 PRESSAVG: 1444800 23.2761 -1.42861 51.2602 -1.42866 4.04789 -12.7781 51.2603 -12.778 16.7249 GPRESSAVG: 1444800 24.643 -1.32347 52.8999 -0.500857 1.68311 -13.3613 49.8964 -13.6646 17.794 TIMING: 1444800 CPU: 4188.44, 0.00293147/step Wall: 4188.44, 0.00293147/step, 2.89499 hours remaining, 209.121094 MB of memory in use. ENERGY: 1444800 784.0135 2078.6963 1951.0265 111.4983 -206292.2818 17807.2843 0.0000 0.0000 34344.8388 -149214.9240 299.9420 -183559.7628 -149116.7673 300.0917 -108.4688 -73.7637 558431.5343 14.6830 14.7067 PRESSURE: 1445000 -331.757 -41.0787 -2.66395 -41.0778 -39.0081 117.999 -2.66459 117.999 -118.611 GPRESSURE: 1445000 -255.066 -61.9144 16.1873 -78.8911 -26.0553 209.472 -48.0941 71.9877 -110.845 PRESSAVG: 1445000 17.4674 41.6175 -8.85373 41.6175 -16.6448 -9.41214 -8.85372 -9.41212 22.8767 GPRESSAVG: 1445000 16.9696 41.5262 -8.70169 42.1582 -16.037 -10.3021 -8.64729 -8.31683 22.5154 TIMING: 1445000 CPU: 4189.02, 0.00291356/step Wall: 4189.02, 0.00291356/step, 2.87714 hours remaining, 209.121094 MB of memory in use. ENERGY: 1445000 794.7461 2114.0424 1925.8895 113.4765 -206204.1454 17689.1316 0.0000 0.0000 34250.7212 -149316.1380 299.1201 -183566.8592 -149221.9070 299.7034 -163.1254 -130.6553 558435.3655 7.8998 7.8160 PRESSURE: 1445200 -86.12 124.468 35.1176 124.468 -29.211 153.371 35.1176 153.371 -108.521 GPRESSURE: 1445200 20.7413 44.5108 28.7957 264.292 -55.622 170.926 52.0881 41.3194 -97.5879 PRESSAVG: 1445200 3.30079 29.5112 28.4964 29.5112 -4.4116 -18.173 28.4964 -18.173 -11.3732 GPRESSAVG: 1445200 3.00133 29.2121 28.1707 27.5445 -4.14911 -17.7891 29.5275 -19.947 -10.8851 TIMING: 1445200 CPU: 4189.61, 0.00293882/step Wall: 4189.61, 0.00293882/step, 2.90192 hours remaining, 209.121094 MB of memory in use. ENERGY: 1445200 780.5618 2075.9311 1948.0416 108.2357 -206412.8659 17853.1733 0.0000 0.0000 34331.8238 -149315.0987 299.8284 -183646.9224 -149212.7880 299.2880 -74.6175 -44.1562 557655.2167 -4.1614 -4.0110 PRESSURE: 1445400 -33.3867 31.524 -32.9447 31.5255 -200.563 -45.6205 -32.945 -45.6195 -20.6234 GPRESSURE: 1445400 2.72279 -30.0257 -91.0806 112.338 -108.348 14.8498 1.55111 -33.7312 -43.2 PRESSAVG: 1445400 33.3246 65.4328 -36.1751 65.4328 13.1957 -32.7583 -36.1751 -32.7583 -10.005 GPRESSAVG: 1445400 33.4374 65.776 -35.6096 65.9867 12.3821 -33.3826 -37.6504 -30.5511 -9.84233 TIMING: 1445400 CPU: 4190.19, 0.00291768/step Wall: 4190.19, 0.00291768/step, 2.88088 hours remaining, 209.121094 MB of memory in use. ENERGY: 1445400 761.9727 2106.2088 1968.8597 119.8529 -206220.9088 17730.3578 0.0000 0.0000 34058.3350 -149475.3219 297.4399 -183533.6568 -149375.7485 299.4300 -84.8577 -49.6085 557357.9238 12.1717 11.9924 PRESSURE: 1445600 156.166 76.4061 9.5963 76.4062 8.20747 -141.086 9.5958 -141.087 168.379 GPRESSURE: 1445600 130.085 163.751 16.0618 81.0866 69.2499 -76.4031 -0.536859 -189.17 239.033 PRESSAVG: 1445600 7.4122 60.4974 -27.9019 60.4975 -2.67003 -71.1521 -27.902 -71.1521 -21.427 GPRESSAVG: 1445600 6.06045 62.8968 -28.2707 59.6308 -0.665497 -71.8003 -27.6854 -71.4057 -22.043 TIMING: 1445600 CPU: 4190.77, 0.002912/step Wall: 4190.77, 0.002912/step, 2.87512 hours remaining, 209.121094 MB of memory in use. ENERGY: 1445600 777.5185 2061.6830 1929.9584 123.9814 -206440.9495 18046.9792 0.0000 0.0000 34144.0379 -149356.7910 298.1884 -183500.8289 -149258.1782 298.0243 110.9175 146.1225 556872.2939 -5.5616 -5.5494 PRESSURE: 1445800 -225.386 -13.7737 76.9879 -13.7741 65.2005 86.223 76.9886 86.2223 123.383 GPRESSURE: 1445800 -89.3981 59.7493 205.887 3.83153 83.0717 57.6939 33.9928 151.869 71.445 PRESSAVG: 1445800 -47.0886 2.21719 -26.0193 2.21718 -22.7941 1.61984 -26.0193 1.61977 59.5969 GPRESSAVG: 1445800 -45.308 0.768134 -25.1184 3.01206 -23.9422 2.16697 -24.2226 0.947481 59.3935 TIMING: 1445800 CPU: 4191.35, 0.00289112/step Wall: 4191.35, 0.00289112/step, 2.85434 hours remaining, 209.121094 MB of memory in use. ENERGY: 1445800 740.2482 2057.3835 1932.6228 109.5503 -206084.2013 17604.2400 0.0000 0.0000 34226.8984 -149413.2581 298.9120 -183640.1565 -149322.1498 298.3919 -12.2677 21.7062 555896.9032 -3.4286 -3.2856 PRESSURE: 1446000 -20.1673 -52.9253 -170.497 -52.9244 -54.8096 -62.6505 -170.498 -62.6505 288.517 GPRESSURE: 1446000 -36.2319 -23.76 -150.883 -107.52 55.7731 -71.9307 -251.319 -23.2465 297.507 PRESSAVG: 1446000 -45.8714 -3.54188 -67.0191 -3.54183 -44.9966 -24.7766 -67.0191 -24.7766 38.8284 GPRESSAVG: 1446000 -45.248 -4.03239 -68.2704 -1.98618 -45.3794 -24.694 -67.8822 -25.5462 38.6264 TIMING: 1446000 CPU: 4191.93, 0.00289097/step Wall: 4191.93, 0.00289097/step, 2.85403 hours remaining, 209.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1446000 749.0705 2100.9972 1915.3817 105.7679 -206512.8179 17907.9495 0.0000 0.0000 34323.6968 -149409.9542 299.7574 -183733.6510 -149319.4177 298.4261 71.1799 105.6828 556552.1613 -17.3465 -17.3337 PRESSURE: 1446200 132.955 -36.5844 74.7622 -36.5841 421.372 -16.3755 74.7629 -16.3763 -65.4364 GPRESSURE: 1446200 144.544 -28.977 72.5568 -64.0289 451.04 54.8034 119.118 -60.5939 -15.7032 PRESSAVG: 1446200 -41.6045 1.09863 -8.96069 1.09864 55.4441 -10.1351 -8.9607 -10.1352 9.73611 GPRESSAVG: 1446200 -43.2447 1.29928 -8.59075 1.10013 55.8145 -10.5612 -9.63553 -10.0391 10.668 TIMING: 1446200 CPU: 4192.51, 0.0029021/step Wall: 4192.51, 0.0029021/step, 2.86485 hours remaining, 209.121094 MB of memory in use. ENERGY: 1446200 780.4251 2090.7765 1935.9334 120.0134 -206807.0722 18238.8487 0.0000 0.0000 34209.1368 -149431.9383 298.7569 -183641.0751 -149337.3080 298.9192 162.9634 193.2937 555375.0068 7.8586 7.7460 PRESSURE: 1446400 169.931 111.17 -187.12 111.169 -231.298 -123.372 -187.12 -123.372 9.91363 GPRESSURE: 1446400 200.728 158.236 -205.048 115.955 -158.847 -213.214 -180.986 -115.716 16.1474 PRESSAVG: 1446400 -44.3268 -34.8064 5.6279 -34.8065 -4.44317 -24.265 5.62786 -24.265 18.7614 GPRESSAVG: 1446400 -44.998 -34.8451 3.62328 -36.1975 -3.9626 -23.8581 6.82314 -23.0613 18.9794 TIMING: 1446400 CPU: 4193.09, 0.00290364/step Wall: 4193.09, 0.00290364/step, 2.86621 hours remaining, 209.121094 MB of memory in use. ENERGY: 1446400 781.1329 2129.8662 1910.6332 113.9035 -206550.3202 17875.2244 0.0000 0.0000 34324.1023 -149415.4576 299.7609 -183739.5600 -149315.1553 299.6434 -17.1513 19.3428 556224.0463 -10.0029 -9.9937 PRESSURE: 1446600 -97.6546 131.321 60.6874 131.321 171.314 -22.7051 60.6878 -22.7045 203.945 GPRESSURE: 1446600 -51.6472 154.605 -44.5444 35.2237 154.886 -19.8254 127.427 -87.2479 274.789 PRESSAVG: 1446600 20.9006 37.1011 0.536181 37.101 -45.2883 59.2239 0.536284 59.2239 36.4941 GPRESSAVG: 1446600 21.6909 37.03 1.70184 37.493 -46.1855 60.6324 -0.21185 58.9108 36.0902 TIMING: 1446600 CPU: 4193.67, 0.00290002/step Wall: 4193.67, 0.00290002/step, 2.86248 hours remaining, 209.121094 MB of memory in use. ENERGY: 1446600 751.9909 2020.1007 1946.7182 104.1500 -206477.2738 17926.8191 0.0000 0.0000 34154.1451 -149573.3497 298.2766 -183727.4948 -149471.7517 299.0530 92.5349 126.0093 556401.1573 4.0355 3.8652 PRESSURE: 1446800 -11.5138 -58.7396 -155.961 -58.7396 -142.352 65.2631 -155.961 65.2633 -140 GPRESSURE: 1446800 0.155492 -66.1905 -103.101 -21.4915 -88.6954 12.4256 -242.672 84.4067 -110.058 PRESSAVG: 1446800 -80.4907 22.2393 12.8128 22.2392 35.2531 57.0651 12.8128 57.065 22.2032 GPRESSAVG: 1446800 -79.9282 22.0412 14.3385 22.3128 33.7486 53.6406 12.7055 58.5138 23.2923 TIMING: 1446800 CPU: 4194.25, 0.00288084/step Wall: 4194.25, 0.00288084/step, 2.84339 hours remaining, 209.121094 MB of memory in use. ENERGY: 1446800 755.9686 2116.9585 1922.5868 103.5888 -206124.9383 17679.0334 0.0000 0.0000 33998.0611 -149548.7410 296.9135 -183546.8021 -149458.5066 298.7644 -97.9553 -66.1994 557555.2224 -7.6782 -7.6291 PRESSURE: 1447000 -152.6 64.1136 43.0579 64.1141 54.5288 20.4639 43.0576 20.4619 -40.9602 GPRESSURE: 1447000 -100.244 42.5015 82.2942 158.308 49.5235 -30.2887 -3.33103 43.1348 13.3863 PRESSAVG: 1447000 -1.79548 79.4751 -26.6647 79.4751 42.1547 32.3198 -26.6646 32.3198 -57.6691 GPRESSAVG: 1447000 -1.18939 79.4553 -28.1575 79.5273 42.5315 31.37 -26.2884 30.1827 -58.7096 TIMING: 1447000 CPU: 4194.83, 0.00290641/step Wall: 4194.83, 0.00290641/step, 2.86846 hours remaining, 209.121094 MB of memory in use. ENERGY: 1447000 745.4217 2088.6429 1935.4480 115.2351 -206975.6797 18159.9988 0.0000 0.0000 34223.3601 -149707.5731 298.8811 -183930.9332 -149616.9676 298.4147 -46.3437 -12.4446 556670.6831 -5.7700 -5.7892 PRESSURE: 1447200 13.8369 50.028 72.246 50.0277 -28.7519 -140.346 72.2456 -140.346 -129.945 GPRESSURE: 1447200 22.8704 91.7773 108.58 4.15909 -9.85871 -80.3231 43.0613 -74.4877 -69.3384 PRESSAVG: 1447200 -16.2908 43.5929 -2.99158 43.5929 34.3339 -18.5888 -2.99162 -18.5888 -58.9271 GPRESSAVG: 1447200 -16.1391 43.2048 -4.16118 43.8741 34.3747 -17.4803 -3.98001 -17.159 -59.5457 TIMING: 1447200 CPU: 4195.41, 0.00288808/step Wall: 4195.41, 0.00288808/step, 2.85021 hours remaining, 209.121094 MB of memory in use. ENERGY: 1447200 737.0301 2096.5804 1926.0208 129.9421 -206352.4914 17860.2554 0.0000 0.0000 34113.2447 -149489.4179 297.9195 -183602.6627 -149397.7164 298.0536 -48.2868 -18.7756 556708.9923 -13.6280 -13.7700 PRESSURE: 1447400 -74.6069 -74.8487 -194.027 -74.8499 -198.991 97.2441 -194.027 97.2454 -100.248 GPRESSURE: 1447400 -104.02 -114.607 -179.539 -81.7565 -182.044 57.0737 -212.018 57.082 4.20173 PRESSAVG: 1447400 31.5778 2.47023 -19.3466 2.47017 -40.3186 -35.1104 -19.3466 -35.1103 -20.403 GPRESSAVG: 1447400 29.8754 3.01956 -17.1525 0.44879 -40.0871 -34.1324 -19.9492 -36.8708 -19.4066 TIMING: 1447400 CPU: 4195.98, 0.00287337/step Wall: 4195.98, 0.00287337/step, 2.83554 hours remaining, 209.121094 MB of memory in use. ENERGY: 1447400 795.5013 2047.4465 1921.8679 108.9070 -206342.3963 17883.9324 0.0000 0.0000 34163.7730 -149420.9682 298.3607 -183584.7412 -149317.9121 298.5861 -124.6151 -93.9540 559124.3851 -9.7146 -9.8728 PRESSURE: 1447600 -122.236 -42.2834 15.5657 -42.2844 10.7843 61.0852 15.5661 61.085 -281.534 GPRESSURE: 1447600 -88.7995 16.5429 -44.2929 -33.1397 45.7334 168.662 49.0444 24.997 -252.813 PRESSAVG: 1447600 86.8595 8.79857 -15.4625 8.79871 14.0953 30.6082 -15.4625 30.6082 -69.2047 GPRESSAVG: 1447600 87.0294 9.24634 -15.7038 9.20203 14.8173 29.7549 -14.2693 31.0224 -70.2371 TIMING: 1447600 CPU: 4196.56, 0.00288076/step Wall: 4196.56, 0.00288076/step, 2.84267 hours remaining, 209.121094 MB of memory in use. ENERGY: 1447600 720.8822 2072.0824 1932.4756 119.5527 -205951.4682 17674.0105 0.0000 0.0000 34062.6809 -149369.7839 297.4779 -183432.4648 -149274.2209 298.4274 -130.9951 -98.6265 559667.4943 10.5834 10.5365 PRESSURE: 1447800 273.305 185.969 28.3564 185.969 144.4 -117.752 28.3578 -117.752 -18.5931 GPRESSURE: 1447800 333.806 150.798 10.595 164.605 201.409 -37.2551 12.0603 -30.9434 -33.7035 PRESSAVG: 1447800 97.7643 20.5016 -7.05376 20.5016 -60.5645 -45.3916 -7.05368 -45.3916 -27.3169 GPRESSAVG: 1447800 97.2412 19.2709 -8.19739 22.2953 -60.3412 -46.0386 -8.85832 -44.1833 -27.2095 TIMING: 1447800 CPU: 4197.13, 0.00289/step Wall: 4197.13, 0.00289/step, 2.85163 hours remaining, 209.121094 MB of memory in use. ENERGY: 1447800 727.6443 2060.0433 1946.4464 113.4540 -206394.6803 17966.8429 0.0000 0.0000 34112.2527 -149467.9967 297.9108 -183580.2494 -149377.6845 298.1622 133.0370 167.1705 556931.5121 3.2943 3.2301 PRESSURE: 1448000 314.504 -96.441 22.7053 -96.4408 -107.075 51.6622 22.7052 51.663 -3.26164 GPRESSURE: 1448000 362.664 -166.638 -26.7203 -51.4813 -80.4692 50.8697 17.395 9.95886 30.6788 PRESSAVG: 1448000 53.3443 18.8978 33.9741 18.8978 -45.1842 27.5351 33.974 27.535 -16.0612 GPRESSAVG: 1448000 54.6031 16.0462 36.1668 20.0186 -45.951 28.8928 33.9892 24.6901 -16.0809 TIMING: 1448000 CPU: 4197.72, 0.00290247/step Wall: 4197.72, 0.00290247/step, 2.86377 hours remaining, 209.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1448000 754.2478 2117.0804 1951.4855 115.5178 -206549.1608 18021.7573 0.0000 0.0000 34110.7582 -149478.3137 297.8977 -183589.0719 -149381.5668 298.3869 68.0559 104.2913 556093.7451 -2.6337 -2.4762 PRESSURE: 1448200 -79.1052 23.4553 49.1494 23.456 -63.1302 -121.156 49.1494 -121.157 -7.28691 GPRESSURE: 1448200 -25.5788 32.4832 -9.75595 23.7037 -37.9867 -108.273 32.5122 -177.06 19.7218 PRESSAVG: 1448200 27.5096 -6.99277 50.9051 -6.99278 2.26718 -24.8007 50.9051 -24.8008 -30.5168 GPRESSAVG: 1448200 28.0413 -3.44217 48.0796 -7.27449 1.45244 -23.5304 52.4811 -23.479 -30.4617 TIMING: 1448200 CPU: 4198.3, 0.00289829/step Wall: 4198.3, 0.00289829/step, 2.85948 hours remaining, 209.121094 MB of memory in use. ENERGY: 1448200 757.4637 1994.0162 1963.0720 126.7625 -206414.2427 17884.7278 0.0000 0.0000 34302.2489 -149385.9516 299.5701 -183688.2005 -149280.5114 299.0295 -49.8408 -14.6146 556967.7069 -0.2467 -0.3227 LDB: ============= START OF LOAD BALANCING ============== 4201.68 LDB: ============== END OF LOAD BALANCING =============== 4201.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4201.68 LDB: ============= START OF LOAD BALANCING ============== 4201.97 LDB: Largest compute 4792 load 0.024717 is 20.9% of average load 0.118001 LDB: Average compute 0.001708 is 1.4% of average load 0.118001 LDB: TIME 4201.98 LOAD: AVG 0.118001 MAX 0.182214 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.387 MB LDB: TIME 4201.98 LOAD: AVG 0.118001 MAX 0.182214 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.387 MB LDB: TIME 4201.98 LOAD: AVG 0.118001 MAX 0.182214 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4201.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4201.98 PRESSURE: 1448400 106.012 139.278 -62.5505 139.279 -257.356 -23.1278 -62.5506 -23.1275 31.3234 GPRESSURE: 1448400 140.161 149.534 -57.4288 91.8849 -217.469 -25.5087 -24.8338 7.70903 56.2064 PRESSAVG: 1448400 -23.0859 8.49612 -12.273 8.49617 12.6611 22.7795 -12.273 22.7796 11.6519 GPRESSAVG: 1448400 -22.7573 7.42316 -11.9095 5.77671 12.7587 21.236 -11.3387 22.9608 11.7545 TIMING: 1448400 CPU: 4198.89, 0.00295275/step Wall: 4198.89, 0.00295275/step, 2.91305 hours remaining, 207.078125 MB of memory in use. ENERGY: 1448400 784.8500 2047.3825 1955.3002 103.9063 -206142.9566 17838.9654 0.0000 0.0000 33972.6472 -149439.9051 296.6916 -183412.5523 -149345.2544 298.5604 -40.0069 -7.0338 558328.1907 0.4091 0.5853 PRESSURE: 1448600 -217.416 -74.9662 194.233 -74.9667 -203.707 185.992 194.233 185.991 174.288 GPRESSURE: 1448600 -256.558 -82.3378 164.257 -103.235 -145.922 128.694 222.37 218.178 246.609 PRESSAVG: 1448600 -34.566 -37.3258 -25.259 -37.3259 -52.8979 -12.9205 -25.2591 -12.9205 98.3431 GPRESSAVG: 1448600 -35.575 -37.1313 -24.9625 -35.9442 -52.1951 -13.2588 -26.9103 -12.3708 98.2595 TIMING: 1448600 CPU: 4199.46, 0.0028814/step Wall: 4199.46, 0.0028814/step, 2.8425 hours remaining, 207.078125 MB of memory in use. ENERGY: 1448600 744.0303 2067.3984 1933.3993 105.2905 -206392.0561 17894.1044 0.0000 0.0000 34144.1153 -149503.7180 298.1891 -183647.8333 -149402.7039 298.8255 -82.2782 -51.9571 558355.9693 3.6264 3.4965 PRESSURE: 1448800 162.371 187.143 -8.94188 187.143 49.9334 23.3706 -8.94136 23.3698 -9.44552 GPRESSURE: 1448800 190.458 184.776 -1.29758 248.692 102.398 64.6323 39.5994 -10.2931 7.02339 PRESSAVG: 1448800 2.64323 -21.5213 28.8554 -21.5214 -57.3699 11.2422 28.8554 11.2423 41.2479 GPRESSAVG: 1448800 4.10747 -23.1652 29.8438 -18.8495 -58.6704 12.9678 29.3395 9.58146 41.4118 TIMING: 1448800 CPU: 4200.04, 0.00287196/step Wall: 4200.04, 0.00287196/step, 2.83303 hours remaining, 207.078125 MB of memory in use. ENERGY: 1448800 770.5849 2056.3746 1951.0095 120.6093 -206720.0226 18049.3250 0.0000 0.0000 34092.6768 -149679.4426 297.7398 -183772.1193 -149585.2379 298.6293 67.6197 99.9598 556203.2615 -4.4929 -4.3837 PRESSURE: 1449000 72.9623 -65.5168 69.1448 -65.5173 -99.2167 86.0148 69.1454 86.017 -25.8928 GPRESSURE: 1449000 107.186 -74.2028 -2.20294 -21.2718 -78.1149 58.7462 133.702 65.5828 20.9763 PRESSAVG: 1449000 73.2902 -6.63147 35.3783 -6.63151 -43.256 -21.7665 35.3783 -21.7665 -20.1219 GPRESSAVG: 1449000 72.1143 -6.5962 34.7972 -7.23529 -43.2338 -23.328 36.9287 -19.4972 -19.0753 TIMING: 1449000 CPU: 4200.62, 0.00290155/step Wall: 4200.62, 0.00290155/step, 2.86206 hours remaining, 207.078125 MB of memory in use. ENERGY: 1449000 788.3369 2100.2836 1900.1989 113.2919 -206683.8315 17940.1557 0.0000 0.0000 34148.1268 -149693.4378 298.2241 -183841.5646 -149596.3920 297.5426 -17.3824 16.6825 557335.3509 3.3041 3.2684 PRESSURE: 1449200 68.1492 -50.3015 -179.213 -50.302 111.988 -133.42 -179.214 -133.42 227.576 GPRESSURE: 1449200 102.984 -94.5706 -152.723 -0.354511 141.723 -129.639 -177.529 -191.34 250.395 PRESSAVG: 1449200 21.2089 13.1012 -15.3205 13.1012 82.9723 -7.24372 -15.3205 -7.24387 -67.0294 GPRESSAVG: 1449200 20.8325 14.8035 -16.8545 10.8355 84.4957 -7.66404 -15.4079 -8.28467 -68.5035 TIMING: 1449200 CPU: 4201.19, 0.0028877/step Wall: 4201.19, 0.0028877/step, 2.84823 hours remaining, 207.078125 MB of memory in use. ENERGY: 1449200 715.0216 2078.9186 1919.3330 107.6444 -206902.8850 18028.0396 0.0000 0.0000 34167.4864 -149886.4413 298.3932 -184053.9277 -149787.6688 297.9166 135.9045 165.0343 555296.0235 12.3839 12.2749 PRESSURE: 1449400 -232.131 -142.301 119.192 -142.301 -245.667 -86.1839 119.192 -86.1819 -397.428 GPRESSURE: 1449400 -215.714 -89.713 5.77625 -142.621 -249.891 -152.553 280.25 2.98447 -313.922 PRESSAVG: 1449400 32.4568 18.4326 25.9987 18.4326 -47.412 -3.21709 25.9987 -3.21711 -19.9816 GPRESSAVG: 1449400 32.3257 18.8352 27.4922 18.7603 -47.1807 -3.33425 24.214 -2.96615 -19.896 TIMING: 1449400 CPU: 4201.77, 0.00288783/step Wall: 4201.77, 0.00288783/step, 2.84821 hours remaining, 207.078125 MB of memory in use. ENERGY: 1449400 778.5172 2083.2624 1929.7092 109.5738 -206323.5174 17539.2981 0.0000 0.0000 34033.8207 -149849.3361 297.2258 -183883.1567 -149756.4672 297.2497 -291.7420 -259.8421 556900.9801 -11.6456 -11.5837 PRESSURE: 1449600 -175.399 10.8736 -109.804 10.8732 -6.98179 87.6852 -109.804 87.6853 -66.3186 GPRESSURE: 1449600 -160.894 -5.1126 -128.572 -0.960847 54.5054 68.5802 -70.6026 217.954 -56.662 PRESSAVG: 1449600 -5.25853 -24.1196 -30.8279 -24.1197 -32.921 -36.4975 -30.8279 -36.4976 -5.03718 GPRESSAVG: 1449600 -4.75943 -25.7448 -31.1074 -24.848 -33.6203 -34.3378 -29.4265 -37.4614 -3.89882 TIMING: 1449600 CPU: 4202.35, 0.00286981/step Wall: 4202.35, 0.00286981/step, 2.83027 hours remaining, 207.078125 MB of memory in use. ENERGY: 1449600 752.7996 2033.3809 1923.0326 109.8000 -206452.3267 17629.4364 0.0000 0.0000 34278.5321 -149725.3450 299.3629 -184003.8772 -149626.5582 297.8113 -82.8999 -54.3502 556115.3054 -14.4056 -14.0928 PRESSURE: 1449800 103.945 -43.9737 70.8462 -43.9732 15.7027 0.589885 70.8457 0.58865 -13.4075 GPRESSURE: 1449800 112.181 -78.084 72.4656 99.0045 63.5913 -11.055 104.927 -21.724 26.1361 PRESSAVG: 1449800 -32.6945 32.0142 -43.1634 32.0142 13.3624 18.8154 -43.1634 18.8153 20.1528 GPRESSAVG: 1449800 -32.4721 33.2371 -40.3034 31.671 14.1727 16.5403 -43.7802 19.8282 19.8358 TIMING: 1449800 CPU: 4202.92, 0.0028739/step Wall: 4202.92, 0.0028739/step, 2.83414 hours remaining, 207.078125 MB of memory in use. ENERGY: 1449800 737.5787 2048.9908 1920.6071 110.1440 -206400.4707 17731.2693 0.0000 0.0000 34280.9580 -149570.9227 299.3841 -183851.8807 -149482.0016 298.4343 35.4135 67.3029 557150.6679 0.2735 0.5121 PRESSURE: 1450000 450.101 93.2591 86.3745 93.2595 255.51 -39.6849 86.373 -39.6846 226.044 GPRESSURE: 1450000 455.745 32.4627 78.2872 53.3163 275.259 11.9057 31.0982 -19.6558 306.52 PRESSAVG: 1450000 26.8095 -22.2808 -14.6757 -22.2808 4.70981 0.984554 -14.6756 0.984507 -15.9717 GPRESSAVG: 1450000 27.3975 -23.7612 -16.1008 -21.6605 3.57622 2.61161 -15.6822 1.70398 -15.1505 TIMING: 1450000 CPU: 4203.49, 0.00285676/step Wall: 4203.49, 0.00285676/step, 2.81708 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1450000 754.8613 2040.9524 1949.5656 103.4318 -207073.6689 18304.1019 0.0000 0.0000 34456.2183 -149464.5376 300.9147 -183920.7559 -149370.1707 298.7421 310.5518 345.8413 555295.6206 5.1825 5.2744 PRESSURE: 1450200 -145.197 29.8798 -2.86367 29.8809 96.8322 43.7711 -2.86278 43.77 -187.317 GPRESSURE: 1450200 -137.694 62.1033 -16.7717 22.3959 117.767 4.99905 92.2771 80.4495 -111.688 PRESSAVG: 1450200 33.5584 -3.40774 -17.5211 -3.40778 -16.1097 29.66 -17.5211 29.66 -2.61355 GPRESSAVG: 1450200 32.9244 -1.8186 -18.3633 -3.65622 -14.69 28.0738 -16.6702 28.7468 -3.44384 TIMING: 1450200 CPU: 4204.07, 0.00288704/step Wall: 4204.07, 0.00288704/step, 2.84678 hours remaining, 207.078125 MB of memory in use. ENERGY: 1450200 741.4997 2068.0370 1942.4533 110.6601 -206445.1054 17710.1028 0.0000 0.0000 34313.8531 -149558.4991 299.6714 -183872.3523 -149465.5231 298.6879 -78.5604 -43.8718 556461.6057 4.9451 4.9302 PRESSURE: 1450400 -296.608 -73.788 -71.0433 -73.7898 327.98 30.5799 -71.0442 30.5797 22.394 GPRESSURE: 1450400 -281.953 -38.9984 -7.87795 -142.21 393.285 83.7505 -34.5517 -33.1694 35.9436 PRESSAVG: 1450400 -36.6161 -27.0337 -9.97527 -27.0337 89.6982 52.9369 -9.97524 52.9369 -5.41351 GPRESSAVG: 1450400 -36.8524 -27.7997 -9.5858 -27.8965 89.5959 54.4474 -12.8685 51.8958 -5.51118 TIMING: 1450400 CPU: 4204.65, 0.00288242/step Wall: 4204.65, 0.00288242/step, 2.84207 hours remaining, 207.078125 MB of memory in use. ENERGY: 1450400 708.1189 2086.3072 1960.6266 115.7854 -206543.4757 17772.7475 0.0000 0.0000 34290.2034 -149609.6867 299.4649 -183899.8901 -149515.3151 297.9470 17.9221 49.0919 555530.9640 15.8895 15.7441 PRESSURE: 1450600 109.314 194.953 -86.0198 194.951 197.552 -19.4336 -86.0207 -19.4342 5.2953 GPRESSURE: 1450600 115.453 141.232 -41.8765 97.9889 291.605 -33.7695 -85.5884 -122.853 1.7849 PRESSAVG: 1450600 -62.165 -46.6443 -74.7805 -46.6442 39.8994 70.7721 -74.7804 70.7721 -21.0893 GPRESSAVG: 1450600 -61.1673 -48.4097 -74.8018 -44.7476 39.2211 68.4932 -72.3327 70.9617 -21.3013 TIMING: 1450600 CPU: 4205.22, 0.00288286/step Wall: 4205.22, 0.00288286/step, 2.84234 hours remaining, 207.078125 MB of memory in use. ENERGY: 1450600 735.1027 2051.6112 1936.8339 111.1304 -206597.6470 17981.9183 0.0000 0.0000 34372.5161 -149408.5344 300.1837 -183781.0505 -149306.8555 298.5476 104.0536 136.2808 554911.2251 -14.4516 -14.4158 PRESSURE: 1450800 -170.35 -45.9542 -44.0633 -45.9536 50.2451 -42.2104 -44.0621 -42.2114 151.187 GPRESSURE: 1450800 -113.22 -90.5381 -63.1006 -7.73722 71.9513 8.78827 -55.278 -65.2718 162.255 PRESSAVG: 1450800 -38.4635 30.5522 -53.4263 30.5522 75.8323 26.9874 -53.4263 26.9874 9.13598 GPRESSAVG: 1450800 -38.3414 32.1335 -54.9544 29.1473 76.1121 29.202 -52.6813 27.1731 8.67228 TIMING: 1450800 CPU: 4205.8, 0.00288793/step Wall: 4205.8, 0.00288793/step, 2.84718 hours remaining, 207.078125 MB of memory in use. ENERGY: 1450800 741.5425 2050.3791 1960.0506 104.6349 -206161.6435 17676.2308 0.0000 0.0000 34067.2587 -149561.5469 297.5178 -183628.8056 -149465.8890 298.4715 10.3606 40.3285 555367.5366 15.5016 15.4810 PRESSURE: 1451000 85.3453 12.8394 -46.5477 12.8391 198.37 63.7878 -46.549 63.7886 260.373 GPRESSURE: 1451000 115.402 17.0418 -45.7516 22.586 214.86 12.9455 -52.3755 -17.5569 308.424 PRESSAVG: 1451000 -75.2589 31.3664 5.89849 31.3665 24.3566 -13.2673 5.89847 -13.2672 72.0939 GPRESSAVG: 1451000 -75.4284 32.7809 7.54886 29.1209 23.6348 -15.4981 4.65819 -11.9236 72.6323 TIMING: 1451000 CPU: 4206.38, 0.00288023/step Wall: 4206.38, 0.00288023/step, 2.83943 hours remaining, 207.078125 MB of memory in use. ENERGY: 1451000 740.5481 2060.1940 1926.3411 111.4004 -206660.5091 18120.1401 0.0000 0.0000 34128.0038 -149573.8816 298.0483 -183701.8854 -149487.2157 298.4028 181.3629 212.8954 555206.5631 7.0639 6.9462 PRESSURE: 1451200 -153.64 72.2256 19.7298 72.2257 -48.9757 -140.796 19.73 -140.797 67.7042 GPRESSURE: 1451200 -104.674 4.02819 19.7247 108.471 -41.1404 -28.8583 65.0526 -141.171 111.922 PRESSAVG: 1451200 -72.2697 -4.4821 6.85268 -4.48203 -31.6285 14.5345 6.85267 14.5344 51.272 GPRESSAVG: 1451200 -71.5732 -5.09499 5.81355 -2.67947 -31.6504 14.3476 6.31895 15.7559 50.3749 TIMING: 1451200 CPU: 4206.96, 0.00289955/step Wall: 4206.96, 0.00289955/step, 2.85832 hours remaining, 207.078125 MB of memory in use. ENERGY: 1451200 762.0153 2081.3589 1962.5582 107.6885 -206383.3203 17769.7089 0.0000 0.0000 34150.0995 -149549.8910 298.2413 -183699.9905 -149454.9376 298.7542 -44.9706 -11.2976 558227.5506 -17.5421 -17.6162 PRESSURE: 1451400 -157.001 -43.8128 83.4193 -43.8142 100.663 39.6529 83.4191 39.6538 157.622 GPRESSURE: 1451400 -122.288 43.6135 8.15893 -66.5092 140.254 -33.9531 163.404 39.4217 172.59 PRESSAVG: 1451400 -62.401 30.6169 -31.9041 30.6169 73.6756 8.90163 -31.904 8.90169 16.5971 GPRESSAVG: 1451400 -63.4514 30.9839 -30.6752 30.611 73.8517 10.0089 -30.3476 6.97091 17.6936 TIMING: 1451400 CPU: 4207.54, 0.00291651/step Wall: 4207.54, 0.00291651/step, 2.87487 hours remaining, 207.078125 MB of memory in use. ENERGY: 1451400 747.8540 2048.4831 1928.4382 109.3505 -206392.8070 17806.2605 0.0000 0.0000 34045.4280 -149706.9926 297.3272 -183752.4206 -149616.5304 297.9240 33.7612 63.5187 557189.1221 9.2906 9.3646 PRESSURE: 1451600 -75.3258 -81.7595 0.951826 -81.7584 101.726 -80.0443 0.953572 -80.0434 167.036 GPRESSURE: 1451600 -13.9278 -92.3448 68.9982 -70.35 129.707 -171.035 0.888457 33.7905 177.342 PRESSAVG: 1451600 -48.863 -3.46463 -0.638126 -3.46464 11.8244 -102.394 -0.638107 -102.394 15.9965 GPRESSAVG: 1451600 -48.1082 -3.56771 -1.07148 -4.02488 11.5335 -102.714 -1.23185 -101.146 15.9114 TIMING: 1451600 CPU: 4208.12, 0.00290708/step Wall: 4208.12, 0.00290708/step, 2.86542 hours remaining, 207.078125 MB of memory in use. ENERGY: 1451600 719.9986 2102.1758 1943.6605 110.7529 -206327.1817 17763.5880 0.0000 0.0000 34022.4566 -149664.5493 297.1266 -183687.0059 -149575.3955 297.0767 64.4787 97.7070 558023.7593 -7.0140 -6.8878 PRESSURE: 1451800 -96.9903 80.4728 52.5116 80.4735 61.586 24.4038 52.511 24.405 13.5482 GPRESSURE: 1451800 2.14746 56.0815 41.0291 87.1679 40.0397 102.554 135.407 -8.37303 42.2188 PRESSAVG: 1451800 -48.0431 0.366038 -4.64445 0.366118 46.4606 -82.6542 -4.6444 -82.6543 25.8446 GPRESSAVG: 1451800 -48.2905 -0.200262 -5.15356 1.94418 46.7863 -81.9861 -6.76346 -84.3661 25.5508 TIMING: 1451800 CPU: 4208.7, 0.00289752/step Wall: 4208.7, 0.00289752/step, 2.85583 hours remaining, 207.078125 MB of memory in use. ENERGY: 1451800 726.0593 2080.3083 1946.7764 106.5121 -206444.2158 17940.3664 0.0000 0.0000 34112.3385 -149531.8548 297.9115 -183644.1932 -149440.1922 297.8571 -7.2854 28.1353 558184.0383 8.0874 8.0155 PRESSURE: 1452000 170.634 31.0461 36.0812 31.0457 -0.798212 -104.273 36.0809 -104.273 -260.265 GPRESSURE: 1452000 216.335 -7.20553 40.465 35.8531 92.324 -123.663 48.2719 -38.39 -283.865 PRESSAVG: 1452000 5.34611 11.2238 42.6239 11.2237 14.4899 -24.0773 42.6238 -24.0772 -61.1836 GPRESSAVG: 1452000 5.59951 11.2549 42.5321 11.1539 15.0067 -24.5818 45.0139 -23.1206 -62.1001 TIMING: 1452000 CPU: 4209.28, 0.00290978/step Wall: 4209.28, 0.00290978/step, 2.86775 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1452000 744.7986 2054.7411 1911.2376 103.8985 -206233.4998 17768.9466 0.0000 0.0000 34263.3504 -149386.5270 299.2304 -183649.8774 -149290.1101 298.5704 -30.1430 8.2645 558236.8528 -13.7826 -13.8313 PRESSURE: 1452200 -134.727 -18.7165 -45.9522 -18.7167 -147.573 -136.757 -45.9519 -136.756 -193.334 GPRESSURE: 1452200 -101.156 46.1333 -8.6188 11.4761 -116.499 -101.869 -116.689 -61.7613 -146.175 PRESSAVG: 1452200 -2.03589 31.283 -8.78078 31.283 -42.3597 -35.9309 -8.7808 -35.9309 6.15315 GPRESSAVG: 1452200 -2.53372 30.4353 -8.63915 31.2657 -42.7756 -34.567 -9.37187 -37.0714 7.40265 TIMING: 1452200 CPU: 4209.86, 0.0028868/step Wall: 4209.86, 0.0028868/step, 2.84494 hours remaining, 207.078125 MB of memory in use. ENERGY: 1452200 739.5553 2061.8190 1903.6369 103.5541 -205592.4838 17513.4793 0.0000 0.0000 34107.5698 -149162.8694 297.8699 -183270.4393 -149060.8324 299.0011 -158.5447 -121.2766 560018.0430 -12.7475 -12.6355 LDB: ============= START OF LOAD BALANCING ============== 4213.24 LDB: ============== END OF LOAD BALANCING =============== 4213.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4213.24 LDB: ============= START OF LOAD BALANCING ============== 4213.53 LDB: Largest compute 4792 load 0.023725 is 20.1% of average load 0.118027 LDB: Average compute 0.001705 is 1.4% of average load 0.118027 LDB: TIME 4213.54 LOAD: AVG 0.118027 MAX 0.184057 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 4213.54 LOAD: AVG 0.118027 MAX 0.184057 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 4213.54 LOAD: AVG 0.118027 MAX 0.184057 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 4213.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4213.54 PRESSURE: 1452400 72.66 -44.6111 99.8552 -44.6118 -109.445 161.152 99.8555 161.152 -134.232 GPRESSURE: 1452400 105.735 81.3231 52.5296 -8.79882 -75.5943 90.4441 52.3189 213.268 -91.0186 PRESSAVG: 1452400 67.1941 -6.46519 49.606 -6.46526 25.5287 -39.2331 49.6059 -39.2331 -71.2911 GPRESSAVG: 1452400 67.3802 -4.19106 48.6114 -8.00671 25.9916 -39.1655 51.0466 -38.839 -71.752 TIMING: 1452400 CPU: 4210.45, 0.00293749/step Wall: 4210.45, 0.00293749/step, 2.89473 hours remaining, 210.410156 MB of memory in use. ENERGY: 1452400 745.3781 2128.1057 1925.2430 113.9898 -206257.3226 17965.1824 0.0000 0.0000 34344.8731 -149034.5505 299.9423 -183379.4236 -148942.8291 299.2317 -57.0059 -20.2928 559034.3938 7.1439 7.2066 PRESSURE: 1452600 -251.074 -74.1942 36.5272 -74.1951 -209.377 -24.1196 36.5272 -24.1197 -166.949 GPRESSURE: 1452600 -198.32 -65.6025 -27.9789 -130.637 -199.031 -29.4438 77.8009 12.9175 -132.882 PRESSAVG: 1452600 12.2177 -23.7552 4.30975 -23.7551 -5.73053 15.6214 4.3096 15.6214 -19.643 GPRESSAVG: 1452600 11.9906 -27.2796 6.49938 -22.7838 -5.05469 14.3647 2.78956 13.7639 -19.9481 TIMING: 1452600 CPU: 4211.03, 0.00289761/step Wall: 4211.03, 0.00289761/step, 2.85527 hours remaining, 210.667969 MB of memory in use. ENERGY: 1452600 763.7063 2043.5802 1946.5865 112.3160 -205725.7086 17483.7535 0.0000 0.0000 34358.8221 -149016.9440 300.0641 -183375.7661 -148927.5209 300.1486 -209.1335 -176.7446 557524.0688 -4.3853 -4.3374 PRESSURE: 1452800 -79.7974 1.92018 -31.8846 1.91915 -59.3858 -3.50567 -31.8853 -3.50596 262.872 GPRESSURE: 1452800 -1.28697 -106.749 -74.9368 59.4014 -61.7828 4.55489 -21.3569 -9.60627 286.913 PRESSAVG: 1452800 15.1502 5.21608 20.1209 5.21597 -42.4788 16.4623 20.1209 16.4624 25.9332 GPRESSAVG: 1452800 15.3363 6.33904 19.4181 6.49608 -42.7666 17.0737 19.609 15.8212 26.2019 TIMING: 1452800 CPU: 4211.6, 0.00288482/step Wall: 4211.6, 0.00288481/step, 2.8425 hours remaining, 210.667969 MB of memory in use. ENERGY: 1452800 757.2386 2099.1659 1961.4817 116.1539 -206039.8279 17922.6882 0.0000 0.0000 34283.6759 -148899.4237 299.4079 -183183.0996 -148801.1271 299.6831 41.2294 74.6144 557629.8339 -0.4651 -0.4095 PRESSURE: 1453000 -145.243 -73.7183 -66.3816 -73.7179 -18.8003 230.534 -66.382 230.533 -57.7467 GPRESSURE: 1453000 -59.9785 -92.4042 -37.2366 -103.854 0.719549 190.595 -131.467 225.398 -72.6538 PRESSAVG: 1453000 -24.3276 -11.8615 67.4498 -11.8615 52.4464 17.753 67.4498 17.753 0.0946916 GPRESSAVG: 1453000 -23.4406 -10.4246 64.6823 -12.2437 51.9438 17.0119 71.3279 19.3115 -0.779472 TIMING: 1453000 CPU: 4212.18, 0.00287559/step Wall: 4212.18, 0.00287559/step, 2.83325 hours remaining, 210.667969 MB of memory in use. ENERGY: 1453000 750.8290 2148.9489 1956.4769 111.3425 -205886.5828 17799.8712 0.0000 0.0000 34239.8306 -148879.2838 299.0250 -183119.1144 -148781.5007 301.2015 -73.9299 -43.9709 557300.8075 9.4045 9.2412 PRESSURE: 1453200 -354.456 58.527 45.7414 58.527 -22.4098 -38.837 45.7421 -38.8365 2.70493 GPRESSURE: 1453200 -263.113 97.9071 105.323 65.1459 64.5258 -19.9694 -15.618 4.86925 -75.1533 PRESSAVG: 1453200 -6.37724 10.4813 -32.8377 10.4811 58.6216 -2.09524 -32.8376 -2.09536 -67.9787 GPRESSAVG: 1453200 -6.93708 9.50556 -31.3142 10.9312 58.8894 -2.25073 -34.9142 -0.302909 -67.8184 TIMING: 1453200 CPU: 4212.76, 0.00289449/step Wall: 4212.76, 0.00289449/step, 2.85172 hours remaining, 210.667969 MB of memory in use. ENERGY: 1453200 800.5861 2129.5147 1943.4961 109.7543 -206064.9247 17735.1864 0.0000 0.0000 34411.1039 -148935.2832 300.5207 -183346.3871 -148850.8486 300.8034 -124.7204 -91.2468 557733.6533 -5.2448 -5.2887 PRESSURE: 1453400 -60.6029 -11.8382 39.9472 -11.8383 -167.076 -147.594 39.9465 -147.596 -105.697 GPRESSURE: 1453400 -30.375 -44.9769 75.5117 -11.5108 -123.756 -116.254 57.2562 -132.49 -76.0566 PRESSAVG: 1453400 -49.5916 -7.92494 -57.7095 -7.92491 54.534 -50.3975 -57.7095 -50.3976 -13.7991 GPRESSAVG: 1453400 -50.8703 -6.95772 -59.0006 -9.14253 54.3224 -47.3846 -58.2503 -53.6128 -12.0185 TIMING: 1453400 CPU: 4213.34, 0.00292456/step Wall: 4213.34, 0.00292456/step, 2.88118 hours remaining, 210.667969 MB of memory in use. ENERGY: 1453400 733.2342 2093.1135 1912.1407 105.0509 -205650.8103 17459.2067 0.0000 0.0000 34451.5094 -148896.5549 300.8736 -183348.0643 -148793.5435 300.7694 -111.1253 -76.7292 557188.9021 -2.9523 -2.8555 PRESSURE: 1453600 -192.912 -53.6342 15.1597 -53.6343 -122.695 -47.1803 15.1591 -47.1804 14.0492 GPRESSURE: 1453600 -115.499 57.5592 10.6895 -10.1301 -68.995 -6.17327 27.2244 -90.1265 -15.8488 PRESSAVG: 1453600 -35.6064 22.2562 10.2321 22.2562 6.44162 -47.0882 10.2322 -47.0883 41.2701 GPRESSAVG: 1453600 -35.5642 21.5579 12.4061 22.3101 7.22019 -49.2068 11.2295 -46.203 40.4561 TIMING: 1453600 CPU: 4213.92, 0.00288592/step Wall: 4213.92, 0.00288592/step, 2.84296 hours remaining, 210.667969 MB of memory in use. ENERGY: 1453600 789.3065 2082.0128 1924.3430 119.7351 -206423.9677 17877.8696 0.0000 0.0000 34407.1040 -149223.5966 300.4858 -183630.7006 -149127.7403 299.1001 -100.5191 -66.7810 557989.7157 4.0351 4.0374 PRESSURE: 1453800 -221.453 51.0473 107.791 51.0476 -221.235 -34.0808 107.788 -34.0806 -183.671 GPRESSURE: 1453800 -167.405 23.1331 36.2999 55.9906 -178.283 -24.9929 148.98 -76.4778 -193.959 PRESSAVG: 1453800 53.2036 32.0212 -5.69154 32.0212 -9.69533 -1.27807 -5.69142 -1.278 -15.3462 GPRESSAVG: 1453800 54.04 30.3612 -7.90206 32.1442 -9.96992 0.604733 -5.96858 -1.36437 -16.1293 TIMING: 1453800 CPU: 4214.5, 0.00289388/step Wall: 4214.5, 0.00289388/step, 2.85063 hours remaining, 210.667969 MB of memory in use. ENERGY: 1453800 782.3217 2130.2243 1905.5585 107.5930 -205939.4085 17602.6783 0.0000 0.0000 34130.4445 -149280.5881 298.0697 -183411.0327 -149185.9409 299.2207 -208.7864 -179.8822 558529.4597 9.3874 9.3136 PRESSURE: 1454000 -72.4359 88.4087 -83.1096 88.4089 39.6382 -9.3138 -83.1093 -9.31524 -90.2012 GPRESSURE: 1454000 -57.2599 82.4924 12.0202 72.0239 137.661 -74.9846 -187.495 96.8365 -104.414 PRESSAVG: 1454000 -48.0146 -7.71262 -16.7602 -7.71264 -0.286282 8.53038 -16.7601 8.53041 29.5648 GPRESSAVG: 1454000 -48.1837 -6.37278 -16.6307 -7.91137 0.212725 6.07886 -17.1894 10.116 29.0637 TIMING: 1454000 CPU: 4215.08, 0.00289442/step Wall: 4215.08, 0.00289442/step, 2.85101 hours remaining, 210.667969 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: 1454000 722.5017 2115.6991 1936.2167 101.4708 -206153.0936 17781.0883 0.0000 0.0000 34119.6595 -149376.4575 297.9755 -183496.1171 -149277.2044 298.8138 -40.9996 -8.0044 558538.2719 -6.2454 -6.3025 PRESSURE: 1454200 -84.178 -79.4657 3.16058 -79.4662 -240.361 39.5706 3.16067 39.5719 159.346 GPRESSURE: 1454200 -36.0302 -63.0458 36.322 -124.351 -218.546 77.4257 -18.2528 -58.5238 192.267 PRESSAVG: 1454200 23.8991 -38.2885 -60.9619 -38.2886 3.94891 30.9862 -60.962 30.9862 10.0659 GPRESSAVG: 1454200 23.9146 -40.8056 -61.3354 -37.5117 3.72328 32.9786 -60.7821 28.3907 10.0283 TIMING: 1454200 CPU: 4215.66, 0.00291052/step Wall: 4215.66, 0.00291052/step, 2.8667 hours remaining, 210.667969 MB of memory in use. ENERGY: 1454200 737.0700 2040.6696 1932.0181 121.2359 -206157.0178 17533.3611 0.0000 0.0000 34283.6177 -149509.0453 299.4074 -183792.6630 -149412.6569 298.3988 -55.0642 -20.7698 557270.3727 12.6380 12.5554 PRESSURE: 1454400 -174.282 323.98 -51.1141 323.979 -79.4557 16.5246 -51.1149 16.5235 -106 GPRESSURE: 1454400 -115.948 188.988 -42.8059 278.037 -84.3557 -40.7835 -0.22279 33.4106 -60.3014 PRESSAVG: 1454400 -12.7992 21.2346 -16.5367 21.2346 22.509 0.823205 -16.5367 0.823185 23.7663 GPRESSAVG: 1454400 -11.5873 22.9985 -14.4248 20.9097 20.9346 -1.20284 -17.866 1.59372 24.0499 TIMING: 1454400 CPU: 4216.25, 0.00293223/step Wall: 4216.25, 0.00293223/step, 2.88792 hours remaining, 210.667969 MB of memory in use. ENERGY: 1454400 735.0281 2029.0258 1952.4961 107.9248 -206164.8983 17699.8552 0.0000 0.0000 34128.1724 -149512.3960 298.0498 -183640.5684 -149422.7791 298.4547 -119.9124 -86.8683 559531.9242 11.1587 11.1324 PRESSURE: 1454600 -162.292 -107.351 -143.444 -107.353 -171.332 -75.3561 -143.442 -75.3542 215.535 GPRESSURE: 1454600 -161.75 -162.969 -138.93 -109.895 -100.533 -35.523 -149.779 -129.79 239.722 PRESSAVG: 1454600 44.0879 26.3789 9.04089 26.3789 -49.2029 -61.3192 9.04088 -61.3192 27.4677 GPRESSAVG: 1454600 42.8102 27.5306 7.24222 26.1622 -47.0769 -59.7682 11.4914 -62.9843 27.1463 TIMING: 1454600 CPU: 4216.83, 0.00291279/step Wall: 4216.83, 0.00291279/step, 2.86861 hours remaining, 210.667969 MB of memory in use. ENERGY: 1454600 733.0459 2081.6347 1960.8854 105.8355 -206284.7096 17804.2103 0.0000 0.0000 34032.8662 -149566.2316 297.2175 -183599.0978 -149473.0726 298.3719 -39.3630 -7.5202 558135.7983 7.4509 7.6266 PRESSURE: 1454800 225.372 17.2382 -109.778 17.2376 -42.3878 -1.44353 -109.778 -1.44376 -20.7506 GPRESSURE: 1454800 261.493 13.7373 -135.406 -51.0868 13.0782 135.368 -173.205 -42.3961 -17.2518 PRESSAVG: 1454800 65.6297 -17.7212 -6.64501 -17.7213 -97.1016 20.9178 -6.64494 20.9177 15.5754 GPRESSAVG: 1454800 67.2268 -19.6934 -7.34818 -17.1346 -98.7549 19.4194 -7.67174 21.5972 15.3245 TIMING: 1454800 CPU: 4217.41, 0.00289441/step Wall: 4217.41, 0.00289441/step, 2.85035 hours remaining, 210.667969 MB of memory in use. ENERGY: 1454800 709.9296 2104.4807 1936.6587 116.0158 -206633.6770 18040.7383 0.0000 0.0000 34205.2661 -149520.5877 298.7231 -183725.8538 -149428.1222 299.2346 54.0779 85.7733 558045.6379 -5.2988 -5.4012 PRESSURE: 1455000 -137.564 -111.546 -31.2542 -111.546 -481.975 111.002 -31.2547 111.003 -87.882 GPRESSURE: 1455000 -72.0386 -105.699 31.2032 -24.5738 -455.188 98.4166 0.461606 112.63 -77.1884 PRESSAVG: 1455000 -3.90642 -22.3477 3.17424 -22.3477 31.3775 34.6636 3.17425 34.6636 -5.00132 GPRESSAVG: 1455000 -4.81617 -20.7255 4.26194 -23.0192 31.1987 33.9606 2.44619 36.1388 -3.7545 TIMING: 1455000 CPU: 4217.99, 0.00291217/step Wall: 4217.99, 0.00291217/step, 2.86768 hours remaining, 210.667969 MB of memory in use. ENERGY: 1455000 759.4525 2151.5614 1923.0859 107.0692 -205859.0162 17470.5195 0.0000 0.0000 34080.8927 -149366.4350 297.6369 -183447.3277 -149269.1976 299.2062 -235.8068 -201.4715 558051.9873 7.4899 7.5427 PRESSURE: 1455200 -150.336 -137.933 16.8746 -137.932 -98.5291 13.3744 16.8754 13.3744 -172.966 GPRESSURE: 1455200 -126.396 -96.3462 52.5953 -133.996 -61.9404 -38.2603 14.9257 35.4939 -133.893 PRESSAVG: 1455200 -2.20407 -21.1273 -12.3759 -21.1273 -20.9488 1.80866 -12.3759 1.80866 33.542 GPRESSAVG: 1455200 -0.965148 -21.4386 -10.6848 -21.3612 -21.9321 2.88222 -10.5343 0.547813 33.1043 TIMING: 1455200 CPU: 4218.57, 0.00290952/step Wall: 4218.57, 0.00290952/step, 2.86491 hours remaining, 210.667969 MB of memory in use. ENERGY: 1455200 763.7417 2080.2469 1917.3874 113.4582 -206094.6121 17557.3213 0.0000 0.0000 34147.3574 -149515.0993 298.2174 -183662.4567 -149420.6310 298.4523 -140.6106 -107.4098 556635.1571 3.4630 3.4023 PRESSURE: 1455400 -237.934 87.3855 -178.573 87.3856 86.6036 -96.0449 -178.573 -96.0449 66.5697 GPRESSURE: 1455400 -196.688 38.1738 -185.328 76.4643 96.7814 -21.8977 -146.625 -54.631 120.556 PRESSAVG: 1455400 25.4621 -0.445996 -46.8389 -0.445996 56.2494 73.5954 -46.8389 73.5953 -45.917 GPRESSAVG: 1455400 24.401 -1.92195 -49.0763 -1.1969 57.38 73.2727 -48.1988 73.3463 -45.5308 TIMING: 1455400 CPU: 4219.16, 0.00291823/step Wall: 4219.16, 0.00291823/step, 2.87332 hours remaining, 210.667969 MB of memory in use. ENERGY: 1455400 753.4503 2102.4960 1923.5218 116.0963 -206408.1016 17935.2511 0.0000 0.0000 34054.7129 -149522.5732 297.4083 -183577.2861 -149425.6380 298.1444 -28.2536 6.8831 556284.5102 11.9315 12.0834 PRESSURE: 1455600 -285.444 89.8611 -2.82995 89.8604 -263.05 -20.6061 -2.82989 -20.6061 -155.756 GPRESSURE: 1455600 -238.478 74.4154 -41.2363 85.6177 -223.527 29.4001 -21.7782 -12.7924 -149.485 PRESSAVG: 1455600 28.9564 43.6495 -72.6165 43.6494 -69.6 24.8557 -72.6165 24.8558 40.5098 GPRESSAVG: 1455600 29.8918 44.6689 -72.1677 44.0729 -69.4773 22.6898 -73.4509 27.0849 39.7674 TIMING: 1455600 CPU: 4219.74, 0.00291584/step Wall: 4219.74, 0.00291584/step, 2.87081 hours remaining, 210.667969 MB of memory in use. ENERGY: 1455600 773.7532 2079.0010 1927.7246 127.0265 -206445.1872 17745.4132 0.0000 0.0000 34281.3854 -149510.8832 299.3879 -183792.2686 -149421.0375 298.2314 -234.7501 -203.8299 557270.6408 -0.0446 0.0606 PRESSURE: 1455800 -60.2009 -122.823 -97.9597 -122.825 -11.7195 64.5352 -97.9598 64.5342 10.7 GPRESSURE: 1455800 -8.55079 -106.552 -215.825 -69.6439 30.6846 -3.47914 -8.94054 14.7702 22.0508 PRESSAVG: 1455800 57.8711 -7.60496 -29.4189 -7.60499 5.89096 5.17903 -29.419 5.17902 -43.5272 GPRESSAVG: 1455800 57.2086 -8.01186 -29.444 -4.78659 6.8225 7.8283 -28.8491 3.25458 -43.7351 TIMING: 1455800 CPU: 4220.32, 0.00291249/step Wall: 4220.32, 0.00291249/step, 2.86735 hours remaining, 210.667969 MB of memory in use. ENERGY: 1455800 742.5055 2058.1854 1936.3251 101.6904 -206985.8677 18193.7003 0.0000 0.0000 34373.3920 -149580.0688 300.1914 -183953.4609 -149476.6263 299.6753 -20.4068 14.7282 557181.5415 6.7449 6.7653 PRESSURE: 1456000 161.17 21.1948 156.487 21.1958 -263.924 91.0972 156.487 91.0994 35.1206 GPRESSURE: 1456000 153.857 -107.962 170.265 84.5134 -161.184 127.278 143.405 99.829 32.0257 PRESSAVG: 1456000 -35.7284 13.0328 23.3977 13.0328 -24.928 -3.74744 23.3976 -3.74745 38.1969 GPRESSAVG: 1456000 -34.8014 13.2717 22.3802 10.8343 -25.2841 -3.61962 24.3968 -4.55051 37.7138 TIMING: 1456000 CPU: 4220.9, 0.00291855/step Wall: 4220.9, 0.00291855/step, 2.87315 hours remaining, 210.667969 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: 1456000 779.4499 2054.6508 1942.4864 116.5565 -206460.2777 17920.2091 0.0000 0.0000 34110.8652 -149536.0598 297.8987 -183646.9250 -149438.6950 298.7532 -22.5444 8.2329 557070.1465 -7.4865 -7.4572 PRESSURE: 1456200 -355.425 256.704 128.026 256.705 86.0114 -55.7431 128.025 -55.7432 -128.465 GPRESSURE: 1456200 -286.722 202.131 -32.2638 271.276 38.53 -83.0348 234.487 2.35902 -49.066 PRESSAVG: 1456200 -24.6144 46.5618 14.8108 46.5619 19.8511 55.2581 14.8109 55.2581 47.5546 GPRESSAVG: 1456200 -25.0966 45.3177 15.8381 47.0721 19.8402 55.5588 15.0743 56.9499 47.8128 TIMING: 1456200 CPU: 4221.48, 0.00290233/step Wall: 4221.48, 0.00290233/step, 2.85703 hours remaining, 210.667969 MB of memory in use. ENERGY: 1456200 737.3698 2087.9445 1934.2562 123.0365 -206372.0077 17757.2132 0.0000 0.0000 34172.4440 -149559.7435 298.4365 -183732.1875 -149458.9242 298.5451 -132.6261 -99.0860 555951.8924 14.2638 14.1855 LDB: ============= START OF LOAD BALANCING ============== 4224.87 LDB: ============== END OF LOAD BALANCING =============== 4224.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4224.87 LDB: ============= START OF LOAD BALANCING ============== 4225.16 LDB: Largest compute 4792 load 0.025062 is 21.3% of average load 0.117888 LDB: Average compute 0.001703 is 1.4% of average load 0.117888 LDB: TIME 4225.16 LOAD: AVG 0.117888 MAX 0.184122 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.719 MB LDB: TIME 4225.16 LOAD: AVG 0.117888 MAX 0.184122 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.922 MB LDB: TIME 4225.16 LOAD: AVG 0.117888 MAX 0.184122 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.922 MB LDB: ============== END OF LOAD BALANCING =============== 4225.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4225.17 PRESSURE: 1456400 -139.31 -23.055 -20.9974 -23.0554 -57.5658 -69.4778 -20.997 -69.4784 -236.075 GPRESSURE: 1456400 -169.195 -16.0941 -16.4111 23.0467 30.1709 -37.6347 -39.8099 -54.329 -203.826 PRESSAVG: 1456400 -68.6923 33.8152 6.73963 33.8152 48.5776 -0.195229 6.73973 -0.195321 34.9603 GPRESSAVG: 1456400 -69.9523 32.5117 9.00159 33.5735 50.6196 -0.532842 4.91045 -1.56004 34.581 TIMING: 1456400 CPU: 4222.07, 0.0029361/step Wall: 4222.07, 0.0029361/step, 2.8901 hours remaining, 208.667969 MB of memory in use. ENERGY: 1456400 740.7966 2077.3925 1941.4341 110.3490 -206063.4206 17560.4250 0.0000 0.0000 34157.5583 -149475.4651 298.3065 -183633.0234 -149371.6694 298.1450 -144.3170 -114.2833 556655.7715 4.9485 5.0828 PRESSURE: 1456600 57.4084 -9.07995 63.5735 -9.07915 -34.331 13.3893 63.5726 13.3895 -90.3922 GPRESSURE: 1456600 104.33 23.3159 -13.2487 -92.7566 -52.6449 62.3104 137.477 112.3 -27.4976 PRESSAVG: 1456600 -26.1252 6.5724 -10.7627 6.5723 45.0576 29.0245 -10.7627 29.0247 27.9184 GPRESSAVG: 1456600 -25.1552 7.57446 -11.2612 7.10827 43.7711 29.7506 -10.0802 30.6454 28.2082 TIMING: 1456600 CPU: 4222.65, 0.00288478/step Wall: 4222.65, 0.00288478/step, 2.83943 hours remaining, 208.867188 MB of memory in use. ENERGY: 1456600 769.2054 2024.8020 1936.5930 111.1156 -206208.6074 17795.9955 0.0000 0.0000 34214.3275 -149356.5683 298.8022 -183570.8958 -149269.9672 298.3204 -22.4382 8.0625 558129.9712 15.6169 15.6081 PRESSURE: 1456800 141.491 23.0468 -91.3215 23.0479 -94.9831 113.281 -91.3218 113.284 0.0535215 GPRESSURE: 1456800 167.34 1.4295 -105.188 4.93008 -108.543 133.192 -116.743 119.33 76.641 PRESSAVG: 1456800 -13.2841 -27.7928 7.1346 -27.7927 12.6188 57.5882 7.13461 57.5882 41.9476 GPRESSAVG: 1456800 -13.1196 -25.1197 7.42108 -30.8228 12.1592 56.2494 7.37124 57.0544 42.5713 TIMING: 1456800 CPU: 4223.23, 0.00288923/step Wall: 4223.23, 0.00288923/step, 2.84364 hours remaining, 208.867188 MB of memory in use. ENERGY: 1456800 742.9257 2016.8567 1955.3093 125.5068 -206256.1307 17811.7716 0.0000 0.0000 34099.2266 -149504.5339 297.7970 -183603.7605 -149413.1150 298.3517 15.5204 45.1457 555429.9089 13.7608 13.8703 PRESSURE: 1457000 -178.68 39.1672 -96.1778 39.1676 58.6182 78.0821 -96.1773 78.0836 -336.522 GPRESSURE: 1457000 -160.294 52.3592 -83.0372 16.4354 50.3637 75.2533 -42.7385 96.8562 -245.779 PRESSAVG: 1457000 73.169 -3.00749 41.3608 -3.00752 -64.3802 -14.5867 41.3608 -14.5867 21.7023 GPRESSAVG: 1457000 73.6776 -5.78986 40.6493 -0.179118 -64.2412 -14.8382 40.0856 -14.7523 21.0647 TIMING: 1457000 CPU: 4223.81, 0.00289108/step Wall: 4223.81, 0.00289108/step, 2.8453 hours remaining, 208.867188 MB of memory in use. ENERGY: 1457000 734.9427 2070.6432 1953.3408 121.4727 -205821.1508 17571.0742 0.0000 0.0000 34062.3245 -149307.3527 297.4748 -183369.6772 -149209.7831 298.0001 -152.1943 -118.5696 558570.7467 10.1637 10.1670 PRESSURE: 1457200 366.085 -129.762 21.7126 -129.763 -172.15 -25.5064 21.7112 -25.5065 -192.074 GPRESSURE: 1457200 340.795 -240.563 -78.6669 -29.3056 -108.68 -43.667 48.1939 29.1349 -143.651 PRESSAVG: 1457200 -29.9326 -5.39706 12.4828 -5.39699 28.5677 -9.63605 12.4829 -9.63606 3.09325 GPRESSAVG: 1457200 -30.3596 -5.30406 12.0785 -6.08257 28.444 -8.72599 14.5213 -11.5392 3.59863 TIMING: 1457200 CPU: 4224.39, 0.00292203/step Wall: 4224.39, 0.00292203/step, 2.8756 hours remaining, 208.867188 MB of memory in use. ENERGY: 1457200 776.1377 2035.6193 1957.0344 99.9442 -206295.7095 17959.0838 0.0000 0.0000 34040.0113 -149427.8789 297.2799 -183467.8902 -149334.5158 298.1416 0.6202 29.4881 557128.3831 0.5761 0.5610 PRESSURE: 1457400 255.643 -60.5426 51.4399 -60.5418 214.313 -69.769 51.4408 -69.769 110.533 GPRESSURE: 1457400 295.798 -86.4371 64.5142 -51.1531 199.637 -14.6905 98.4819 -73.3878 170.237 PRESSAVG: 1457400 92.5846 -8.51812 -8.95625 -8.51789 -75.1244 -68.9008 -8.95625 -68.9008 31.0676 GPRESSAVG: 1457400 92.9227 -6.8557 -9.93883 -10.3612 -75.5467 -67.2731 -7.81088 -68.9735 30.6949 TIMING: 1457400 CPU: 4224.97, 0.00289576/step Wall: 4224.97, 0.00289576/step, 2.84959 hours remaining, 208.867188 MB of memory in use. ENERGY: 1457400 696.0082 2125.7783 1951.4270 124.1318 -206617.3880 17954.0371 0.0000 0.0000 34241.0841 -149524.9216 299.0359 -183766.0056 -149428.2785 298.9501 193.4963 221.8907 556333.0114 16.1760 16.0236 PRESSURE: 1457600 162.872 -40.0756 -34.6297 -40.0755 58.9002 25.4933 -34.6296 25.4926 -88.3388 GPRESSURE: 1457600 197.577 -57.612 -14.112 13.3316 92.613 8.48864 -36.3654 -11.5872 -61.0911 PRESSAVG: 1457600 44.2535 23.5223 41.3862 23.5225 -14.6315 -16.6221 41.3861 -16.622 -26.2734 GPRESSAVG: 1457600 44.2193 23.5418 41.8467 24.7788 -14.3655 -18.2633 39.7648 -16.7278 -26.0496 TIMING: 1457600 CPU: 4225.55, 0.00291863/step Wall: 4225.55, 0.00291863/step, 2.87193 hours remaining, 208.867188 MB of memory in use. ENERGY: 1457600 734.3762 2091.5190 1938.7649 108.2950 -206434.1845 17845.1825 0.0000 0.0000 34125.0936 -149590.9532 298.0229 -183716.0468 -149489.6459 298.0919 44.4779 76.3664 555864.4652 1.1162 1.2681 PRESSURE: 1457800 34.5877 91.7986 -53.0385 91.7988 -1.62009 110.647 -53.0381 110.646 -136.685 GPRESSURE: 1457800 55.7097 113.642 -60.2619 91.9355 41.3321 55.1818 11.5949 144.497 -90.9014 PRESSAVG: 1457800 -6.81364 -2.0507 -21.8071 -2.05067 -34.5458 -9.49284 -21.8072 -9.49286 28.2888 GPRESSAVG: 1457800 -7.58064 -1.65049 -22.8606 -1.26473 -34.9023 -10.9668 -22.8605 -7.96603 28.8327 TIMING: 1457800 CPU: 4226.13, 0.00289241/step Wall: 4226.13, 0.00289241/step, 2.84597 hours remaining, 208.867188 MB of memory in use. ENERGY: 1457800 719.1194 2097.3407 1931.2777 118.5018 -206254.3260 17782.9048 0.0000 0.0000 34126.8695 -149478.3122 298.0384 -183605.1817 -149383.5129 298.6316 -34.5726 2.0468 556602.5846 -4.3569 -4.5501 PRESSURE: 1458000 17.7963 138.507 -174.642 138.508 -27.7563 -130.603 -174.642 -130.602 22.7014 GPRESSURE: 1458000 15.336 153.085 -89.8728 51.8455 -52.6143 -63.3872 -253.854 -102.359 138.679 PRESSAVG: 1458000 -33.27 -1.35006 0.0888966 -1.35005 27.0867 8.16902 0.088998 8.1689 48.0549 GPRESSAVG: 1458000 -33.3994 -2.75457 1.80596 -0.930178 26.3621 10.0576 0.365906 6.99178 48.267 TIMING: 1458000 CPU: 4226.71, 0.00291908/step Wall: 4226.71, 0.00291908/step, 2.87205 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1458000 781.0122 2072.3112 1917.5163 117.8266 -206401.0943 17929.0248 0.0000 0.0000 34047.1312 -149536.2722 297.3421 -183583.4034 -149443.3585 298.8743 4.2471 33.8002 557985.2634 13.9572 13.7432 PRESSURE: 1458200 -140.228 132.548 -192.693 132.548 -30.5514 -49.9804 -192.694 -49.9812 -86.6034 GPRESSURE: 1458200 -80.709 117.178 -221.94 97.7238 -7.42722 -31.2742 -188.118 19.2165 -63.924 PRESSAVG: 1458200 -24.6398 16.72 -30.6114 16.72 -59.5379 -52.1535 -30.6114 -52.1535 29.8872 GPRESSAVG: 1458200 -24.731 16.2632 -30.3071 16.7473 -58.6786 -51.9987 -28.9339 -52.7764 28.9541 TIMING: 1458200 CPU: 4227.3, 0.00290589/step Wall: 4227.3, 0.00290589/step, 2.85891 hours remaining, 208.867188 MB of memory in use. ENERGY: 1458200 716.4341 2048.2031 1912.8742 121.5092 -206045.4941 17506.4991 0.0000 0.0000 34144.0242 -149595.9502 298.1883 -183739.9744 -149499.8992 297.9771 -85.7941 -50.6868 556389.7942 -18.0968 -18.1518 PRESSURE: 1458400 -30.9229 26.5311 -112.928 26.5318 14.3989 -198.53 -112.926 -198.529 -54.323 GPRESSURE: 1458400 26.9828 -83.8527 -64.3269 -11.4741 111.777 -155.289 -99.9455 -167.205 -106.959 PRESSAVG: 1458400 -21.5986 89.7704 -40.548 89.7704 47.8705 -20.5996 -40.548 -20.5997 33.9527 GPRESSAVG: 1458400 -22.2638 90.5025 -39.4066 87.7595 49.4682 -20.4019 -42.6159 -18.8882 32.9217 TIMING: 1458400 CPU: 4227.87, 0.00287953/step Wall: 4227.87, 0.00287953/step, 2.83282 hours remaining, 208.867188 MB of memory in use. ENERGY: 1458400 711.7751 2121.0137 1917.0662 106.1402 -206332.7840 17791.0980 0.0000 0.0000 34212.3156 -149473.3752 298.7847 -183685.6909 -149366.0485 298.2687 -23.6157 10.6003 557744.1023 20.0749 20.0420 PRESSURE: 1458600 -78.2642 91.5967 2.80673 91.5985 -256.289 15.9601 2.80698 15.9603 -152.622 GPRESSURE: 1458600 -73.7617 31.4438 -40.641 112.472 -264.484 -9.3932 71.3906 -28.3719 -49.7555 PRESSAVG: 1458600 -56.6836 4.52028 -12.7496 4.52033 42.3492 -8.00439 -12.7495 -8.00433 60.1606 GPRESSAVG: 1458600 -56.3313 3.37259 -12.9549 7.07688 40.6674 -9.2231 -13.5761 -10.1692 61.7089 TIMING: 1458600 CPU: 4228.45, 0.00288759/step Wall: 4228.45, 0.00288759/step, 2.84059 hours remaining, 208.867188 MB of memory in use. ENERGY: 1458600 773.8743 2045.8541 1932.3898 109.4151 -206039.5720 17707.7024 0.0000 0.0000 34125.1075 -149345.2289 298.0231 -183470.3364 -149246.5245 298.5550 -162.3916 -129.3338 558559.2664 15.2754 15.3483 PRESSURE: 1458800 50.594 63.2394 -148.604 63.2402 395.828 2.96068 -148.604 2.95947 198.067 GPRESSURE: 1458800 144.623 47.5122 -87.1915 62.8635 425.891 25.7032 -76.9075 55.5485 163.55 PRESSAVG: 1458800 -53.4144 12.4817 -53.2107 12.4817 6.53841 -8.63658 -53.2107 -8.63667 35.4931 GPRESSAVG: 1458800 -53.0338 12.3924 -53.6318 11.7605 7.19736 -6.54259 -51.2903 -7.7768 34.9078 TIMING: 1458800 CPU: 4229.03, 0.00290069/step Wall: 4229.03, 0.00290069/step, 2.85331 hours remaining, 208.867188 MB of memory in use. ENERGY: 1458800 769.4388 2110.5759 1909.2292 114.1350 -206724.9162 18249.8988 0.0000 0.0000 34324.2161 -149247.4224 299.7619 -183571.6385 -149152.5685 298.8023 214.8297 244.6880 556022.5312 -3.7943 -3.6429 PRESSURE: 1459000 245.475 -52.0905 21.0851 -52.091 47.5548 48.143 21.085 48.1433 0.335243 GPRESSURE: 1459000 254.482 -111.951 30.1567 -60.1258 59.6851 64.9745 37.4776 11.456 70.3036 PRESSAVG: 1459000 -34.7886 -35.9383 0.525158 -35.9382 6.08225 43.5621 0.52521 43.5621 29.3801 GPRESSAVG: 1459000 -34.2298 -34.9959 0.419712 -37.2065 6.26829 43.291 -1.25937 41.498 29.1312 TIMING: 1459000 CPU: 4229.61, 0.00292282/step Wall: 4229.61, 0.00292282/step, 2.87492 hours remaining, 208.867188 MB of memory in use. ENERGY: 1459000 749.5515 2113.5246 1923.2511 105.2748 -206265.1576 18026.8266 0.0000 0.0000 34008.3601 -149338.3689 297.0035 -183346.7289 -149242.8747 298.6118 97.7884 128.1567 556705.3707 0.2246 0.3899 PRESSURE: 1459200 -143.146 8.23182 -284.566 8.23311 230.255 -14.6469 -284.566 -14.6452 216.034 GPRESSURE: 1459200 -60.905 -5.01635 -331.962 39.7903 258.75 -27.304 -182.047 -110.861 195.32 PRESSAVG: 1459200 26.7108 -24.7822 12.3414 -24.7823 -40.4643 -12.1081 12.3413 -12.1081 0.293892 GPRESSAVG: 1459200 26.9998 -24.982 12.5974 -23.1906 -41.6955 -13.5475 14.356 -11.4262 0.673342 TIMING: 1459200 CPU: 4230.19, 0.00289357/step Wall: 4230.19, 0.00289357/step, 2.84598 hours remaining, 208.867188 MB of memory in use. ENERGY: 1459200 717.4458 2101.3778 1922.0035 124.8001 -206244.1727 17911.6974 0.0000 0.0000 34271.3604 -149195.4877 299.3003 -183466.8481 -149102.7079 298.8746 101.0478 131.0550 555800.5119 -4.4865 -4.6741 PRESSURE: 1459400 -135.878 49.5334 -72.4931 49.5349 -161.705 -111.65 -72.4918 -111.651 37.9305 GPRESSURE: 1459400 -86.5234 65.2521 36.0742 28.7385 -126.751 -52.4668 -77.0373 -137.288 51.8887 PRESSAVG: 1459400 -38.5701 -25.3086 -62.0886 -25.3086 21.9994 -68.784 -62.0886 -68.7839 35.8741 GPRESSAVG: 1459400 -38.831 -24.0383 -60.5921 -24.6548 21.7298 -68.3183 -63.2357 -67.5876 36.6821 TIMING: 1459400 CPU: 4230.77, 0.00288887/step Wall: 4230.77, 0.00288887/step, 2.84121 hours remaining, 208.867188 MB of memory in use. ENERGY: 1459400 709.7099 2125.5802 1938.2610 116.6694 -206076.6414 17567.2267 0.0000 0.0000 34407.9232 -149211.2709 300.4930 -183619.1941 -149111.3375 299.2732 -86.5509 -53.7954 556462.5460 6.4345 6.5270 PRESSURE: 1459600 -181.585 -37.4491 -106.285 -37.4489 -91.1596 137.323 -106.285 137.322 14.096 GPRESSURE: 1459600 -188.502 12.2673 -120.581 -48.1512 -18.9251 195.114 -116.087 97.2975 40.7733 PRESSAVG: 1459600 -40.439 7.59845 -16.854 7.59846 66.7401 -35.8714 -16.8539 -35.8714 -60.273 GPRESSAVG: 1459600 -41.1481 7.80852 -16.5806 5.52397 67.7848 -34.7162 -15.2168 -36.2963 -60.6281 TIMING: 1459600 CPU: 4231.35, 0.00289791/step Wall: 4231.35, 0.00289791/step, 2.84994 hours remaining, 208.867188 MB of memory in use. ENERGY: 1459600 749.8790 2091.7206 1942.3845 94.9931 -205921.2398 17614.6348 0.0000 0.0000 34009.4401 -149418.1877 297.0129 -183427.6279 -149320.3140 299.7732 -86.2161 -55.5512 557155.9885 -11.3239 -11.3305 PRESSURE: 1459800 -87.3204 -50.0901 -62.7622 -50.0908 122.916 172.935 -62.7614 172.934 -16.7293 GPRESSURE: 1459800 -10.9268 -48.2892 -37.8399 -84.6196 81.1382 137.378 -21.8096 126.758 52.8391 PRESSAVG: 1459800 -106.235 -24.665 -63.0337 -24.665 56.5084 -5.83579 -63.0339 -5.83574 43.1001 GPRESSAVG: 1459800 -105.963 -22.5947 -65.9548 -26.9358 55.2945 -8.4204 -64.8851 -3.38488 43.4659 TIMING: 1459800 CPU: 4231.93, 0.00290056/step Wall: 4231.93, 0.00290056/step, 2.85238 hours remaining, 208.867188 MB of memory in use. ENERGY: 1459800 775.0690 2052.1520 1937.9493 115.4684 -206015.5110 17683.2142 0.0000 0.0000 33972.4765 -149479.1815 296.6901 -183451.6581 -149382.2554 298.0945 6.2888 41.0168 557037.6790 -2.2090 -2.4009 PRESSURE: 1460000 -42.251 -59.3494 -118.508 -59.3488 136.623 -9.78458 -118.507 -9.78566 285.481 GPRESSURE: 1460000 -6.91904 -32.8652 -167.866 -75.1797 168.228 -56.5997 -68.4005 16.6506 311.185 PRESSAVG: 1460000 -128.522 -33.2247 -49.1917 -33.2247 61.2939 -28.5478 -49.1917 -28.5477 94.6464 GPRESSAVG: 1460000 -128.738 -38.4323 -47.0258 -29.2851 61.8822 -27.3845 -49.9485 -29.8485 94.3762 TIMING: 1460000 CPU: 4232.51, 0.00289616/step Wall: 4232.51, 0.00289616/step, 2.8479 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1460000 715.3546 2103.9425 1942.6398 122.3668 -206613.2463 18231.9340 0.0000 0.0000 34150.5228 -149346.4858 298.2450 -183497.0087 -149250.8970 299.1274 126.6178 157.4980 557803.4548 9.1394 9.1735 PRESSURE: 1460200 86.4909 -19.1387 101.792 -19.1389 29.2332 106.23 101.793 106.23 -1.69708 GPRESSURE: 1460200 106.524 -33.8035 38.4274 -63.2165 31.7802 -29.1248 98.1478 95.0416 86.2525 PRESSAVG: 1460200 -28.1885 -7.1206 -29.1346 -7.12058 25.4996 46.6225 -29.1345 46.6225 34.9299 GPRESSAVG: 1460200 -28.2231 -3.32245 -30.4358 -8.38415 24.8596 44.9385 -28.7832 47.1804 34.7862 TIMING: 1460200 CPU: 4233.09, 0.00289863/step Wall: 4233.09, 0.00289863/step, 2.85016 hours remaining, 208.867188 MB of memory in use. ENERGY: 1460200 785.0859 2109.3378 1955.6546 110.9656 -206439.9094 17984.0713 0.0000 0.0000 34282.2105 -149212.5837 299.3951 -183494.7942 -149122.0931 299.5283 38.0090 74.8521 558154.0510 10.7470 10.4743 LDB: ============= START OF LOAD BALANCING ============== 4236.48 LDB: ============== END OF LOAD BALANCING =============== 4236.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4236.48 LDB: ============= START OF LOAD BALANCING ============== 4236.77 LDB: Largest compute 4792 load 0.021876 is 18.5% of average load 0.117988 LDB: Average compute 0.001705 is 1.4% of average load 0.117988 LDB: TIME 4236.77 LOAD: AVG 0.117988 MAX 0.182445 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.16 MB LDB: TIME 4236.77 LOAD: AVG 0.117988 MAX 0.182445 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.16 MB LDB: TIME 4236.77 LOAD: AVG 0.117988 MAX 0.182445 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4236.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4236.78 PRESSURE: 1460400 135.31 30.8249 -102.793 30.8257 8.14795 -57.1702 -102.793 -57.1702 204.78 GPRESSURE: 1460400 100.928 8.20544 -155.533 5.38244 72.9445 -53.6472 -82.276 -48.6252 262.327 PRESSAVG: 1460400 44.8431 39.2967 -39.9943 39.2966 -22.0975 41.2735 -39.9942 41.2735 34.8515 GPRESSAVG: 1460400 44.0066 38.6266 -38.3225 39.0469 -21.3453 41.9003 -38.0863 39.654 34.7296 TIMING: 1460400 CPU: 4233.68, 0.00295149/step Wall: 4233.68, 0.00295149/step, 2.90197 hours remaining, 210.414062 MB of memory in use. ENERGY: 1460400 755.2448 2076.0364 1926.6713 121.1206 -206478.3996 18034.7066 0.0000 0.0000 34228.3045 -149336.3155 298.9243 -183564.6200 -149245.1180 299.3438 116.0793 145.3999 557128.5247 19.1991 19.1303 PRESSURE: 1460600 -29.139 -54.4766 -61.4835 -54.4788 -137.589 62.6492 -61.483 62.6507 74.3187 GPRESSURE: 1460600 -25.4828 -86.9217 -44.5453 -98.6982 -66.5587 -35.5582 -88.2099 98.3577 86.585 PRESSAVG: 1460600 14.4874 39.1118 -5.60825 39.1118 -91.9517 51.6594 -5.60819 51.6594 40.655 GPRESSAVG: 1460600 14.0807 38.7411 -6.31392 38.6949 -91.5349 52.3623 -7.62217 53.0427 40.5145 TIMING: 1460600 CPU: 4234.26, 0.00289552/step Wall: 4234.26, 0.00289552/step, 2.84678 hours remaining, 210.683594 MB of memory in use. ENERGY: 1460600 761.6933 2037.9601 1945.5841 119.2818 -206391.3081 17864.4373 0.0000 0.0000 34336.4671 -149325.8843 299.8689 -183662.3515 -149228.9459 299.3736 -30.8031 -1.8188 558853.0198 -12.2698 -12.3132 PRESSURE: 1460800 -51.5538 -6.77939 -91.484 -6.77944 39.4157 25.5217 -91.4846 25.5207 -187.336 GPRESSURE: 1460800 6.62572 -69.5031 -61.3503 -9.31469 50.0636 140.496 -31.9779 -26.3509 -151.706 PRESSAVG: 1460800 13.4188 25.1893 -88.2187 25.1893 -14.9227 -24.5039 -88.2187 -24.5039 32.7101 GPRESSAVG: 1460800 14.4609 24.1748 -88.8423 27.0398 -16.1349 -23.8351 -87.0044 -26.4171 32.918 TIMING: 1460800 CPU: 4234.84, 0.00290816/step Wall: 4234.84, 0.00290816/step, 2.85904 hours remaining, 210.683594 MB of memory in use. ENERGY: 1460800 738.8632 2072.4773 1934.5410 118.4356 -206001.8424 17600.3558 0.0000 0.0000 34111.7096 -149425.4598 297.9060 -183537.1694 -149331.8020 299.3721 -66.4913 -31.6723 556296.8492 10.4021 10.4147 PRESSURE: 1461000 101.646 8.93054 52.5021 8.93144 -40.4053 72.0536 52.5009 72.0532 35.2136 GPRESSURE: 1461000 103.87 -19.6692 118.526 29.0761 -3.36493 55.618 -4.47593 95.7312 89.0274 PRESSAVG: 1461000 39.6323 40.9367 -25.0939 40.9368 6.06863 28.9464 -25.0939 28.9465 -19.8029 GPRESSAVG: 1461000 39.3887 40.3769 -23.0941 40.7241 5.66358 29.0022 -25.1338 28.0134 -19.415 TIMING: 1461000 CPU: 4235.42, 0.00290325/step Wall: 4235.42, 0.00290325/step, 2.85405 hours remaining, 210.683594 MB of memory in use. ENERGY: 1461000 741.0419 2039.2754 1963.2860 112.0826 -206472.8419 17920.2921 0.0000 0.0000 34208.9350 -149487.9289 298.7551 -183696.8639 -149394.3177 298.5252 32.1514 63.1776 557305.4162 8.6327 8.5458 PRESSURE: 1461200 -70.7976 19.0173 208.475 19.0169 -130.461 57.7269 208.475 57.727 121.114 GPRESSURE: 1461200 -44.6618 99.8197 201.949 -92.4478 -52.3107 73.0499 241.632 -28.0033 127.09 PRESSAVG: 1461200 -2.17585 -11.2816 64.6592 -11.2816 -0.193809 -17.1587 64.6592 -17.1588 20.3387 GPRESSAVG: 1461200 -2.41014 -11.5397 62.8246 -11.0125 -0.165026 -19.6951 63.6815 -15.2031 20.7829 TIMING: 1461200 CPU: 4236, 0.00289004/step Wall: 4236, 0.00289004/step, 2.84091 hours remaining, 210.683594 MB of memory in use. ENERGY: 1461200 751.5815 2047.0231 1946.7609 105.3377 -206296.3120 17817.0358 0.0000 0.0000 34135.7310 -149492.8419 298.1158 -183628.5729 -149394.4713 299.3864 -26.7148 10.0394 558044.7315 5.9897 6.0692 PRESSURE: 1461400 -249.826 -143.029 97.6542 -143.029 -381.463 -186.885 97.6533 -186.886 231.847 GPRESSURE: 1461400 -258.504 -107.751 81.4519 -185.934 -288.619 -127.329 44.1576 -128.577 241.953 PRESSAVG: 1461400 -17.2711 -38.7227 18.561 -38.7227 -67.1458 -47.4764 18.5611 -47.4764 64.2919 GPRESSAVG: 1461400 -18.1352 -37.8156 19.1685 -38.4247 -66.2416 -44.9886 18.9612 -49.2077 63.7215 TIMING: 1461400 CPU: 4236.58, 0.00291804/step Wall: 4236.58, 0.00291804/step, 2.86827 hours remaining, 210.683594 MB of memory in use. ENERGY: 1461400 723.7217 2069.4528 1931.1834 129.5516 -205794.0657 17454.9340 0.0000 0.0000 34127.6045 -149357.6177 298.0449 -183485.2222 -149257.3281 298.7417 -133.1470 -101.7233 556705.6519 -6.7083 -6.8851 PRESSURE: 1461600 -357.629 -3.72319 13.1531 -3.72251 -94.2186 103.157 13.1535 103.157 140.495 GPRESSURE: 1461600 -350.067 22.0849 51.62 -78.1565 -31.6389 194.774 -16.9177 25.5131 156.926 PRESSAVG: 1461600 -63.7376 -36.1221 -13.5023 -36.122 1.53055 24.6423 -13.5023 24.6423 29.5045 GPRESSAVG: 1461600 -62.9422 -35.3468 -13.2059 -37.5902 2.53568 26.8822 -12.6195 24.2002 28.5137 TIMING: 1461600 CPU: 4237.17, 0.00292313/step Wall: 4237.17, 0.00292313/step, 2.87312 hours remaining, 210.683594 MB of memory in use. ENERGY: 1461600 760.3319 2019.8951 1955.4128 99.6276 -205559.8721 17396.9456 0.0000 0.0000 34143.9229 -149183.7363 298.1874 -183327.6592 -149083.2259 299.0341 -103.7845 -74.9266 558095.6756 -10.9009 -10.6309 PRESSURE: 1461800 -115.018 -89.1075 -23.4203 -89.1076 27.4397 46.1606 -23.4193 46.1589 -142.249 GPRESSURE: 1461800 -80.0677 -77.4228 -50.76 -28.5442 42.1254 8.13537 32.6726 40.4574 -85.0405 PRESSAVG: 1461800 -9.9524 31.1037 -46.9636 31.1037 -0.861698 -25.257 -46.9635 -25.2571 -10.9285 GPRESSAVG: 1461800 -10.3539 28.8137 -47.6016 33.5883 -1.72632 -28.7101 -47.693 -23.2357 -9.56743 TIMING: 1461800 CPU: 4237.75, 0.00291886/step Wall: 4237.75, 0.00291886/step, 2.86875 hours remaining, 210.683594 MB of memory in use. ENERGY: 1461800 763.0155 2108.4597 1931.8570 109.3946 -206066.4080 17784.9228 0.0000 0.0000 34075.3126 -149293.4457 297.5882 -183368.7583 -149200.8553 298.8039 -76.6091 -40.9943 557042.8624 -7.2475 -7.2159 PRESSURE: 1462000 53.884 11.8603 -96.4352 11.859 -245.325 54.5827 -96.4353 54.5819 -18.1397 GPRESSURE: 1462000 72.454 21.0266 -108.426 30.1778 -162.7 20.1637 -115.709 105.848 -22.533 PRESSAVG: 1462000 18.4262 34.1837 -32.5636 34.1837 13.7846 38.2887 -32.5636 38.2887 -22.642 GPRESSAVG: 1462000 17.8153 37.6878 -32.1674 33.7265 14.5833 39.6051 -33.0087 37.0598 -22.055 TIMING: 1462000 CPU: 4238.33, 0.00291248/step Wall: 4238.33, 0.00291248/step, 2.86232 hours remaining, 210.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1462000 738.7711 2104.5828 1923.7025 101.0079 -205980.7380 17658.8025 0.0000 0.0000 34263.3674 -149190.5039 299.2305 -183453.8712 -149088.6567 298.7600 -69.8603 -37.5930 557211.1036 3.1896 3.4479 PRESSURE: 1462200 -8.44691 -62.0536 -4.9606 -62.0538 451.487 93.2933 -4.95904 93.2928 -21.338 GPRESSURE: 1462200 38.8688 -40.6114 -116.625 55.4356 456.888 42.9312 11.934 106.836 23.4292 PRESSAVG: 1462200 34.5217 27.6778 -24.5765 27.6779 -46.9432 5.59023 -24.5765 5.59019 18.6229 GPRESSAVG: 1462200 36.6303 25.6688 -25.7127 26.4895 -48.1886 4.72097 -23.0778 7.94861 18.0646 TIMING: 1462200 CPU: 4238.92, 0.00292291/step Wall: 4238.92, 0.00292291/step, 2.87241 hours remaining, 210.683594 MB of memory in use. ENERGY: 1462200 732.4731 2054.7448 1921.1853 114.3502 -206316.4019 17944.1648 0.0000 0.0000 34164.8120 -149384.6718 298.3698 -183549.4838 -149294.6090 299.1596 140.5675 173.0621 556528.4204 2.0671 2.1688 PRESSURE: 1462400 -200.478 -82.7436 -53.986 -82.7424 36.5316 -44.0819 -53.986 -44.0828 11.9044 GPRESSURE: 1462400 -151.974 -109.847 -65.5108 -63.6831 66.4245 -20.736 -27.052 -65.509 44.3479 PRESSAVG: 1462400 20.8546 4.94835 -13.8182 4.94837 -18.1926 25.0897 -13.8181 25.0897 -21.3632 GPRESSAVG: 1462400 19.6068 5.2675 -11.717 4.89223 -16.4352 24.5588 -14.3495 23.9051 -22.3964 TIMING: 1462400 CPU: 4239.5, 0.00291976/step Wall: 4239.5, 0.00291976/step, 2.86915 hours remaining, 210.683594 MB of memory in use. ENERGY: 1462400 738.4132 2091.7735 1954.9556 109.0858 -206170.4364 17810.3398 0.0000 0.0000 34081.6138 -149384.2547 297.6432 -183465.8685 -149288.5319 298.7693 -50.6807 -13.7340 557971.8341 -6.2338 -6.4083 PRESSURE: 1462600 -237.226 28.4561 -138.126 28.4559 -24.9134 -30.1665 -138.126 -30.166 -87.2318 GPRESSURE: 1462600 -214.083 39.2403 -179.149 83.4331 78.8734 -28.1744 -137.121 -48.5467 -112.706 PRESSAVG: 1462600 25.7356 23.9437 -21.4586 23.9436 -16.1968 38.3825 -21.4585 38.3824 -3.03153 GPRESSAVG: 1462600 25.4115 25.2662 -24.8868 23.7399 -16.6768 39.6111 -20.8952 37.5026 -2.36794 TIMING: 1462600 CPU: 4240.09, 0.00293725/step Wall: 4240.09, 0.00293725/step, 2.88617 hours remaining, 210.683594 MB of memory in use. ENERGY: 1462600 741.2032 2113.9991 1952.9227 110.7378 -206085.1401 17680.2399 0.0000 0.0000 34025.3503 -149460.6871 297.1518 -183486.0374 -149369.1517 297.8510 -116.4572 -82.6387 557329.9100 2.1691 2.1222 PRESSURE: 1462800 55.1549 41.8544 -128.369 41.8532 -61.0469 18.9462 -128.367 18.9469 -131.26 GPRESSURE: 1462800 15.7387 4.32476 -98.6267 80.36 12.0199 10.9143 -202.267 -13.8375 -68.3979 PRESSAVG: 1462800 -29.2586 50.7269 -42.6296 50.7268 41.8852 14.2906 -42.6297 14.2906 20.7061 GPRESSAVG: 1462800 -28.1297 50.5289 -40.2175 47.8495 41.4997 14.9061 -44.7486 14.823 20.6739 TIMING: 1462800 CPU: 4240.67, 0.00290941/step Wall: 4240.67, 0.00290941/step, 2.85866 hours remaining, 210.683594 MB of memory in use. ENERGY: 1462800 734.5596 2134.5129 1957.9384 114.0837 -206108.1826 17604.5088 0.0000 0.0000 34305.1108 -149257.4684 299.5951 -183562.5792 -149163.5401 298.9656 -45.7172 -13.5464 556626.8356 11.1109 11.3479 PRESSURE: 1463000 90.0683 -125.524 44.3053 -125.524 250.445 24.0819 44.3043 24.0812 95.6244 GPRESSURE: 1463000 127.354 -162.205 11.5222 2.51646 285.563 -14.9559 61.5093 116.669 114.709 PRESSAVG: 1463000 -50.8044 3.82062 -55.3051 3.82054 14.8082 22.1696 -55.3051 22.1695 51.7621 GPRESSAVG: 1463000 -51.5232 2.81219 -57.6956 7.63304 14.4721 22.1711 -53.0619 25.4204 52.3379 TIMING: 1463000 CPU: 4241.26, 0.00292863/step Wall: 4241.26, 0.00292863/step, 2.87738 hours remaining, 210.683594 MB of memory in use. ENERGY: 1463000 719.3521 2072.3688 1919.9259 121.6231 -206513.1791 17974.5229 0.0000 0.0000 34360.3386 -149345.0478 300.0774 -183705.3864 -149254.6460 299.0378 145.3791 175.8756 555359.5208 5.2553 5.0956 PRESSURE: 1463200 10.8649 -18.5944 -88.3179 -18.5932 -273.471 80.7313 -88.3175 80.7303 -248.499 GPRESSURE: 1463200 -6.81117 -69.0007 -39.9643 -6.63484 -267.058 90.6549 -53.9389 139.672 -142.725 PRESSAVG: 1463200 23.3122 6.22169 20.7199 6.22172 5.36245 56.6528 20.7199 56.6528 -13.8644 GPRESSAVG: 1463200 23.5109 5.74581 22.4729 5.41721 4.89974 56.3287 20.5171 54.7843 -13.2214 TIMING: 1463200 CPU: 4241.84, 0.00291292/step Wall: 4241.84, 0.00291292/step, 2.86178 hours remaining, 210.683594 MB of memory in use. ENERGY: 1463200 771.4604 2116.5415 1925.4960 105.1373 -206328.5356 17744.9140 0.0000 0.0000 34194.1317 -149470.8547 298.6259 -183664.9865 -149375.4109 298.1554 -170.3682 -138.8650 556700.6933 4.9367 5.0631 PRESSURE: 1463400 59.7076 112.401 65.7771 112.4 120.032 -48.7648 65.7767 -48.7658 131.394 GPRESSURE: 1463400 93.904 131.575 84.8239 101.923 138.412 2.83868 53.7763 -15.8707 177.772 PRESSAVG: 1463400 -31.9398 4.77159 -7.44191 4.77157 -23.1322 -10.8855 -7.44194 -10.8856 -1.81277 GPRESSAVG: 1463400 -31.8683 5.26117 -9.33601 4.03578 -21.9467 -12.4562 -9.02632 -9.44691 -3.39023 TIMING: 1463400 CPU: 4242.42, 0.00289993/step Wall: 4242.42, 0.00289993/step, 2.84886 hours remaining, 210.683594 MB of memory in use. ENERGY: 1463400 762.6254 2096.5316 1939.6569 98.1979 -206214.7798 17810.9829 0.0000 0.0000 34034.9686 -149471.8165 297.2358 -183506.7851 -149382.9155 298.8465 103.7112 136.6958 556239.3664 -18.9616 -19.0684 PRESSURE: 1463600 -284.58 -86.6031 -61.6485 -86.6029 -255.495 171.415 -61.6481 171.416 -105.871 GPRESSURE: 1463600 -249.212 -47.5849 -58.33 -139.056 -214.632 175.275 -111.173 227.853 -88.2594 PRESSAVG: 1463600 32.1364 7.1664 40.7009 7.1664 0.296026 -16.2667 40.7009 -16.2669 -4.13856 GPRESSAVG: 1463600 31.826 8.69162 40.1572 6.13753 0.0874115 -13.8466 42.8139 -18.8371 -3.66141 TIMING: 1463600 CPU: 4243.01, 0.00292952/step Wall: 4243.01, 0.00292952/step, 2.87777 hours remaining, 210.683594 MB of memory in use. ENERGY: 1463600 761.4720 2129.2433 1924.7478 108.6435 -206079.5679 17646.0372 0.0000 0.0000 34197.8787 -149311.5455 298.6586 -183509.4242 -149218.7083 298.8197 -215.3155 -184.0348 557011.4549 9.4313 9.4173 PRESSURE: 1463800 52.8122 -127.738 156.959 -127.737 199.455 130.597 156.961 130.596 -1.96992 GPRESSURE: 1463800 126.355 -152.423 214.996 -96.5485 180.318 79.5254 130.135 99.5757 38.5788 PRESSAVG: 1463800 17.0205 -4.40933 24.0057 -4.40941 -6.93476 20.8407 24.0058 20.8407 16.1926 GPRESSAVG: 1463800 17.209 -8.63907 23.8481 -1.98904 -7.97064 21.1191 23.7337 20.0954 17.1379 TIMING: 1463800 CPU: 4243.59, 0.0029099/step Wall: 4243.59, 0.0029099/step, 2.85833 hours remaining, 210.683594 MB of memory in use. ENERGY: 1463800 746.4423 2118.4163 1932.9195 111.9892 -206365.9351 17896.8954 0.0000 0.0000 34243.9800 -149315.2924 299.0612 -183559.2724 -149214.9663 298.8573 83.4325 115.0838 555156.5909 8.7594 8.7921 PRESSURE: 1464000 127.613 -129.274 -34.7195 -129.275 84.9881 45.0881 -34.7187 45.0855 -50.407 GPRESSURE: 1464000 170.68 -115.691 -39.8413 -184.934 123.763 9.76459 44.1355 47.8906 -33.1422 PRESSAVG: 1464000 25.9371 10.3203 -28.0458 10.3202 -38.1824 38.2979 -28.0457 38.2979 4.6322 GPRESSAVG: 1464000 26.1844 11.143 -25.3363 9.32633 -37.1832 37.2056 -30.0493 38.5252 3.27686 TIMING: 1464000 CPU: 4244.17, 0.0029117/step Wall: 4244.17, 0.0029117/step, 2.85994 hours remaining, 210.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1464000 714.5293 2036.5916 1907.8966 117.6754 -206260.1726 17758.8833 0.0000 0.0000 34321.3135 -149403.2829 299.7366 -183724.5964 -149308.7751 298.8542 54.0648 87.1002 555474.8123 -2.5377 -2.5740 PRESSURE: 1464200 -26.7285 47.9651 -167.151 47.9655 -100.48 19.828 -167.15 19.8279 -168.969 GPRESSURE: 1464200 52.1917 -0.195623 -166.245 34.3038 -111.007 62.4252 -173.817 -111.546 -141.377 PRESSAVG: 1464200 83.6483 12.9314 -33.3989 12.9315 2.00263 22.2402 -33.3989 22.2402 -86.7107 GPRESSAVG: 1464200 84.2219 13.4134 -33.6955 13.0067 1.9487 22.5867 -34.1267 23.0756 -87.3772 TIMING: 1464200 CPU: 4244.75, 0.00289965/step Wall: 4244.75, 0.00289965/step, 2.84794 hours remaining, 210.683594 MB of memory in use. ENERGY: 1464200 753.2275 2068.0473 1927.7822 115.5738 -206160.7269 17487.4766 0.0000 0.0000 34428.4962 -149380.1233 300.6726 -183808.6195 -149279.3516 299.2909 -98.7259 -66.7310 555075.0107 -0.3532 -0.4022 LDB: ============= START OF LOAD BALANCING ============== 4248.14 LDB: ============== END OF LOAD BALANCING =============== 4248.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4248.14 LDB: ============= START OF LOAD BALANCING ============== 4248.43 LDB: Largest compute 4792 load 0.022210 is 18.8% of average load 0.118026 LDB: Average compute 0.001709 is 1.4% of average load 0.118026 LDB: TIME 4248.43 LOAD: AVG 0.118026 MAX 0.182806 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.914 MB LDB: TIME 4248.43 LOAD: AVG 0.118026 MAX 0.182806 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: TIME 4248.43 LOAD: AVG 0.118026 MAX 0.182806 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4248.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4248.44 PRESSURE: 1464400 -95.1348 -201.777 -68.3073 -201.778 -141.952 2.50959 -68.3075 2.51123 -162.154 GPRESSURE: 1464400 -76.3492 -85.0889 -82.3526 -203.288 -95.1479 -49.5453 13.5978 45.4639 -144.224 PRESSAVG: 1464400 35.5591 39.681 -36.1845 39.681 12.6997 -17.083 -36.1844 -17.0829 -56.6714 GPRESSAVG: 1464400 33.7854 40.1555 -37.6387 38.1136 13.4115 -17.7997 -34.9477 -16.7757 -55.9605 TIMING: 1464400 CPU: 4245.34, 0.00295465/step Wall: 4245.34, 0.00295466/step, 2.9018 hours remaining, 208.613281 MB of memory in use. ENERGY: 1464400 763.8707 2085.1653 1943.4942 117.4097 -205758.5241 17579.1761 0.0000 0.0000 33995.5010 -149273.9071 296.8912 -183269.4081 -149178.1470 299.4899 -133.0802 -105.2405 558040.7714 -2.8042 -2.9212 PRESSURE: 1464600 -81.284 -135.263 63.2134 -135.262 -146.599 -46.2641 63.2126 -46.2648 153.997 GPRESSURE: 1464600 -133.319 -137.779 137.465 -144.319 -63.0956 -52.0313 98.9402 7.05166 216.864 PRESSAVG: 1464600 -12.6431 -39.8278 1.56791 -39.8278 39.1422 3.33245 1.5679 3.33237 -30.6379 GPRESSAVG: 1464600 -11.2865 -41.5864 2.66061 -37.6019 37.5634 5.33228 3.32472 2.73878 -30.0836 TIMING: 1464600 CPU: 4245.92, 0.00288068/step Wall: 4245.92, 0.00288068/step, 2.82899 hours remaining, 208.816406 MB of memory in use. ENERGY: 1464600 784.0826 2043.0826 1934.2548 108.8733 -206185.1146 17884.3693 0.0000 0.0000 34073.8411 -149356.6107 297.5753 -183430.4519 -149263.8107 298.6328 -24.6286 6.8162 556163.2251 -1.3796 -1.2689 PRESSURE: 1464800 104.574 -27.4142 -38.7559 -27.4149 -81.2739 81.1274 -38.7548 81.1283 -163.034 GPRESSURE: 1464800 140.598 -12.185 27.328 -55.5112 -33.5398 56.9362 30.5853 106.46 -139.676 PRESSAVG: 1464800 -7.53825 -24.749 7.61679 -24.7492 13.6373 -6.84126 7.61675 -6.84125 28.6012 GPRESSAVG: 1464800 -8.8651 -23.3372 8.13599 -25.4737 15.2349 -11.1012 5.84703 -5.15145 29.0728 TIMING: 1464800 CPU: 4246.5, 0.00290047/step Wall: 4246.5, 0.00290047/step, 2.84827 hours remaining, 208.816406 MB of memory in use. ENERGY: 1464800 738.0025 2111.3497 1941.4294 120.5408 -206262.0350 17741.9143 0.0000 0.0000 34415.5186 -149193.2797 300.5593 -183608.7983 -149102.1640 298.9577 -46.5780 -10.8723 558861.3277 11.5667 11.8142 PRESSURE: 1465000 -5.1427 -115.736 -26.0385 -115.735 -103.349 198.732 -26.0379 198.732 -203.826 GPRESSURE: 1465000 -18.8555 -89.5497 -28.9088 -154.821 -43.6668 208.945 -31.8916 129.727 -155.633 PRESSAVG: 1465000 53.6339 -1.66199 6.8155 -1.66205 -42.6365 22.4806 6.81548 22.4807 -33.4453 GPRESSAVG: 1465000 53.8506 -0.8882 7.38469 -0.68362 -41.5558 25.6058 7.08722 23.0533 -34.4029 TIMING: 1465000 CPU: 4247.08, 0.00290973/step Wall: 4247.08, 0.00290973/step, 2.85719 hours remaining, 208.816406 MB of memory in use. ENERGY: 1465000 770.1272 2045.7690 1938.7678 117.0800 -206118.1500 17735.7311 0.0000 0.0000 34245.5767 -149265.0983 299.0751 -183510.6750 -149171.1350 298.7826 -104.1057 -72.7184 557449.4860 -7.4826 -7.3694 PRESSURE: 1465200 -320.423 -57.6729 182.284 -57.674 -222.506 -41.6731 182.283 -41.6726 -149.206 GPRESSURE: 1465200 -248.365 -80.0442 242.264 -126.082 -142.858 -34.8038 178.851 -35.6749 -208.32 PRESSAVG: 1465200 33.7463 -0.245957 9.47755 -0.245957 -22.0004 30.8331 9.47755 30.8332 -11.1918 GPRESSAVG: 1465200 34.0884 2.16012 8.03636 -4.6916 -23.4993 28.394 8.65182 31.0428 -10.2729 TIMING: 1465200 CPU: 4247.66, 0.00290316/step Wall: 4247.66, 0.00290316/step, 2.85058 hours remaining, 208.816406 MB of memory in use. ENERGY: 1465200 779.6563 2099.3912 1928.4039 96.6871 -206087.1769 17560.3553 0.0000 0.0000 34169.2324 -149453.4507 298.4084 -183622.6830 -149360.4783 298.5064 -230.7114 -199.8476 558168.4485 0.1847 0.1054 PRESSURE: 1465400 -0.1413 -210.125 -46.7522 -210.124 129.821 111.281 -46.7515 111.283 -267.696 GPRESSURE: 1465400 73.9782 -157.326 -5.79393 -198.616 127.249 150.033 7.45557 102.569 -235.528 PRESSAVG: 1465400 -20.4751 7.82921 -6.91227 7.82926 9.11369 62.8503 -6.91216 62.8503 11.1143 GPRESSAVG: 1465400 -20.4033 4.95774 -7.28929 11.9816 9.21539 65.0047 -4.25046 62.597 10.1436 TIMING: 1465400 CPU: 4248.23, 0.00287668/step Wall: 4248.23, 0.00287668/step, 2.82442 hours remaining, 208.816406 MB of memory in use. ENERGY: 1465400 746.3126 2045.4470 1941.7203 111.3610 -206638.8342 17860.1386 0.0000 0.0000 34334.0462 -149599.8084 299.8478 -183933.8546 -149499.1918 298.9759 -46.0054 -11.4335 556328.6505 -0.0824 -0.3481 PRESSURE: 1465600 -68.2066 -0.113458 -71.6183 -0.112763 -2.27033 -197.181 -71.6192 -197.18 5.06253 GPRESSURE: 1465600 -67.1193 -86.5075 -53.5604 81.4622 54.232 -109.412 -67.5857 -206.761 36.9984 PRESSAVG: 1465600 -7.7756 42.9273 -10.5769 42.9273 18.4699 59.2108 -10.5769 59.2108 -13.3057 GPRESSAVG: 1465600 -8.11558 42.7093 -9.62343 40.5904 18.8049 60.8283 -12.6078 56.4368 -13.1926 TIMING: 1465600 CPU: 4248.81, 0.00286941/step Wall: 4248.81, 0.00286941/step, 2.81713 hours remaining, 208.816406 MB of memory in use. ENERGY: 1465600 758.1086 2102.7047 1902.7560 112.7934 -206672.6325 17974.6122 0.0000 0.0000 34320.6467 -149501.0108 299.7307 -183821.6576 -149405.4633 299.1739 -21.8048 8.0370 557012.6206 -0.8705 -0.8345 PRESSURE: 1465800 226.291 161.994 6.47653 161.991 -116.887 -17.0358 6.4776 -17.0359 -2.94071 GPRESSURE: 1465800 273.495 209.263 3.64495 124.597 -90.33 7.6008 13.3595 -25.1244 14.5232 PRESSAVG: 1465800 71.482 -2.32323 -13.2482 -2.32328 -42.5729 49.6832 -13.2482 49.6831 -33.0203 GPRESSAVG: 1465800 71.3111 -3.06735 -13.0442 -0.215394 -43.6069 47.216 -13.9183 52.3409 -32.2089 TIMING: 1465800 CPU: 4249.39, 0.00289536/step Wall: 4249.39, 0.00289536/step, 2.84244 hours remaining, 208.816406 MB of memory in use. ENERGY: 1465800 728.6501 2096.3238 1923.3730 113.1871 -206282.6916 17865.4412 0.0000 0.0000 34068.0119 -149487.7045 297.5244 -183555.7164 -149389.9414 298.5584 35.4880 65.8959 556316.7616 -1.3704 -1.5016 PRESSURE: 1466000 171.687 -55.4773 12.9161 -55.4784 -377.815 -25.1647 12.9148 -25.1647 -143.404 GPRESSURE: 1466000 156.716 38.0748 -49.2873 -81.2099 -319.3 5.14397 48.8957 -106.44 -104.052 PRESSAVG: 1466000 60.8694 -46.2313 -0.650203 -46.2313 -35.8529 27.1532 -0.65012 27.1532 -43.3711 GPRESSAVG: 1466000 60.8271 -44.653 -2.12975 -45.7826 -35.2142 27.4683 -0.257628 26.2244 -43.621 TIMING: 1466000 CPU: 4249.97, 0.00289675/step Wall: 4249.97, 0.00289675/step, 2.84364 hours remaining, 208.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1466000 749.2864 2019.2957 1920.3844 119.9846 -206431.9864 17856.6480 0.0000 0.0000 34581.5376 -149184.8496 302.0092 -183766.3872 -149090.8012 299.2242 -116.5107 -88.8788 558014.7910 -6.1182 -6.0027 PRESSURE: 1466200 -85.0262 -85.3649 67.2809 -85.3635 -18.9938 7.4909 67.2792 7.49131 -201.91 GPRESSURE: 1466200 -47.1733 -97.6663 55.9868 -34.343 9.07192 -5.85487 50.8629 -6.60255 -175.334 PRESSAVG: 1466200 65.6562 -2.08503 8.76622 -2.08512 12.5847 -22.42 8.7662 -22.42 -60.5112 GPRESSAVG: 1466200 66.0772 -3.66225 11.5759 -2.08725 12.3705 -21.7132 6.26016 -21.8468 -60.7796 TIMING: 1466200 CPU: 4250.55, 0.0029274/step Wall: 4250.55, 0.0029274/step, 2.87357 hours remaining, 208.816406 MB of memory in use. ENERGY: 1466200 755.1574 2053.7478 1920.1825 118.9271 -206029.6717 17780.0784 0.0000 0.0000 34294.9059 -149106.6726 299.5059 -183401.5785 -149006.8897 299.7843 -101.9765 -71.1450 559948.7537 5.9099 5.8894 PRESSURE: 1466400 -380.567 -157.348 23.549 -157.349 -33.4443 25.3622 23.5488 25.3614 -25.7619 GPRESSURE: 1466400 -405.268 -164.299 24.688 -228.538 11.3718 39.3008 -15.7063 8.47186 39.8358 PRESSAVG: 1466400 -16.0175 -31.7254 -4.54201 -31.7255 -30.5827 16.6583 -4.54194 16.6583 72.4666 GPRESSAVG: 1466400 -15.3344 -29.6105 -5.65373 -33.3219 -30.464 18.0794 -3.40422 15.8659 71.7691 TIMING: 1466400 CPU: 4251.13, 0.00289708/step Wall: 4251.13, 0.00289708/step, 2.84365 hours remaining, 208.816406 MB of memory in use. ENERGY: 1466400 771.0650 2024.5827 1900.1153 110.2128 -205827.4572 17567.9729 0.0000 0.0000 34308.5780 -149144.9305 299.6253 -183453.5085 -149045.1884 299.3468 -146.5910 -118.0202 559089.3564 8.6221 8.6569 PRESSURE: 1466600 212.58 -34.0189 -88.7564 -34.0187 -269.428 55.395 -88.7547 55.3954 -84.1299 GPRESSURE: 1466600 152.803 -85.269 -124.858 -3.24084 -113.678 77.1252 -104.208 61.2115 -83.7949 PRESSAVG: 1466600 -40.0955 -62.5906 -43.806 -62.5906 38.6791 -8.60294 -43.8059 -8.60285 18.9626 GPRESSAVG: 1466600 -41.2397 -63.7744 -44.6454 -62.6419 39.5695 -10.0694 -42.6507 -9.28065 19.4385 TIMING: 1466600 CPU: 4251.72, 0.00292083/step Wall: 4251.72, 0.00292083/step, 2.86679 hours remaining, 208.816406 MB of memory in use. ENERGY: 1466600 746.2571 2051.5935 1932.4695 114.6866 -206100.7428 17894.1939 0.0000 0.0000 34265.2028 -149096.3394 299.2465 -183361.5423 -148998.0861 299.0395 -46.9926 -14.8898 557437.3369 5.8487 5.9228 PRESSURE: 1466800 -86.5105 68.4778 -34.3313 68.4766 -179.047 -134.138 -34.331 -134.139 -109.138 GPRESSURE: 1466800 -39.2319 18.2092 31.2038 118.84 -200.813 -94.9544 -58.6416 -91.7866 -33.4235 PRESSAVG: 1466800 -40.2877 14.8194 17.5702 14.8194 6.50727 -47.6721 17.5701 -47.6721 71.7775 GPRESSAVG: 1466800 -39.1792 14.4037 18.2826 13.1355 3.39645 -45.9699 19.3446 -47.0671 73.2085 TIMING: 1466800 CPU: 4252.29, 0.00288523/step Wall: 4252.29, 0.00288523/step, 2.83169 hours remaining, 208.816406 MB of memory in use. ENERGY: 1466800 705.7584 2087.7802 1893.0680 129.3083 -205981.8471 17613.6359 0.0000 0.0000 34338.0179 -149214.2784 299.8825 -183552.2963 -149122.3685 299.3813 -124.8985 -91.1562 557623.0085 12.6657 12.4753 PRESSURE: 1467000 -218.537 87.2343 106.56 87.2342 -75.9957 -15.9106 106.56 -15.9102 -170.255 GPRESSURE: 1467000 -238.091 45.2986 129.226 100.273 17.6531 -100.416 154.151 -23.0089 -150.015 PRESSAVG: 1467000 -56.4299 12.1267 -2.87416 12.1267 -5.41737 -15.186 -2.87412 -15.186 44.1019 GPRESSAVG: 1467000 -56.4279 13.091 -3.52523 14.3735 -4.03941 -18.7527 -4.84932 -12.8696 43.3826 TIMING: 1467000 CPU: 4252.87, 0.00288836/step Wall: 4252.87, 0.00288836/step, 2.8346 hours remaining, 208.816406 MB of memory in use. ENERGY: 1467000 788.0287 2063.8613 1921.9977 98.9139 -205970.4391 17604.7255 0.0000 0.0000 34387.3686 -149105.5434 300.3134 -183492.9119 -149006.7630 298.5618 -154.9293 -123.4845 558299.7055 -5.9151 -5.6949 PRESSURE: 1467200 -6.11162 -24.0295 -66.3233 -24.03 -151.531 156.994 -66.3231 156.994 -147.399 GPRESSURE: 1467200 66.0983 -18.8055 -7.7592 -54.0394 -156.539 229.364 -77.4101 41.9498 -120.352 PRESSAVG: 1467200 31.6125 26.9166 -31.3269 26.9165 -85.0373 43.5762 -31.3269 43.5762 56.0646 GPRESSAVG: 1467200 31.6767 26.7136 -30.6737 24.308 -85.8578 44.736 -31.6628 42.4522 56.8611 TIMING: 1467200 CPU: 4253.45, 0.00289582/step Wall: 4253.45, 0.00289582/step, 2.84176 hours remaining, 208.816406 MB of memory in use. ENERGY: 1467200 723.2130 2039.2684 1944.5259 103.2771 -205858.7480 17655.0612 0.0000 0.0000 34286.6438 -149106.7585 299.4338 -183393.4023 -149005.3871 299.7047 -101.6804 -70.2642 559077.0763 0.8800 0.8933 PRESSURE: 1467400 -57.6857 51.9869 83.6536 51.9865 -118.166 17.7282 83.6537 17.7285 -22.3253 GPRESSURE: 1467400 -55.1061 21.6224 168.401 -8.24163 -46.02 19.6675 19.6566 6.90624 -3.58677 PRESSAVG: 1467400 33.6894 8.21343 -34.3663 8.21344 -76.5363 -21.5871 -34.3663 -21.5871 69.1202 GPRESSAVG: 1467400 32.6902 8.18081 -34.6779 10.6903 -75.2716 -19.3531 -35.2262 -22.18 68.7598 TIMING: 1467400 CPU: 4254.03, 0.00289547/step Wall: 4254.03, 0.00289547/step, 2.84126 hours remaining, 208.816406 MB of memory in use. ENERGY: 1467400 739.1774 2070.5831 1913.8725 119.0938 -206056.7349 17623.7193 0.0000 0.0000 34567.9823 -149022.3066 301.8908 -183590.2889 -148924.1840 300.2479 -66.0591 -34.9043 557904.1607 8.7577 8.7261 PRESSURE: 1467600 74.0549 179.873 111.234 179.874 100.531 -8.96284 111.234 -8.96205 -4.81427 GPRESSURE: 1467600 91.9478 166.285 142.863 192.68 84.357 -64.0747 40.4426 44.9538 83.791 PRESSAVG: 1467600 44.8411 42.8018 79.3053 42.8017 -3.00951 -22.8102 79.3053 -22.8101 7.7477 GPRESSAVG: 1467600 46.2842 41.8083 80.538 42.7228 -4.56799 -25.1055 80.5448 -22.9293 8.02077 TIMING: 1467600 CPU: 4254.61, 0.00291815/step Wall: 4254.61, 0.00291815/step, 2.86335 hours remaining, 208.816406 MB of memory in use. ENERGY: 1467600 739.5062 2008.3282 1955.6067 122.8907 -206089.4756 17931.6654 0.0000 0.0000 34300.7359 -149030.7426 299.5569 -183331.4785 -148938.9071 299.7811 56.5905 86.6986 557806.4202 16.5264 16.5790 PRESSURE: 1467800 -51.8981 -132.722 34.6542 -132.721 -204.734 -63.831 34.6553 -63.8306 57.1018 GPRESSURE: 1467800 6.73947 -65.3457 78.5793 -57.5346 -147 20.4282 29.0699 -156.226 29.8047 PRESSAVG: 1467800 16.841 -9.86888 -2.97384 -9.86886 -22.4414 10.4166 -2.97394 10.4166 -12.9175 GPRESSAVG: 1467800 16.0193 -9.85712 -3.50703 -10.3054 -20.4485 10.362 -3.79369 10.2915 -14.0068 TIMING: 1467800 CPU: 4255.2, 0.00291942/step Wall: 4255.2, 0.00291942/step, 2.86444 hours remaining, 208.816406 MB of memory in use. ENERGY: 1467800 743.7176 2119.8972 1911.5403 126.6783 -205960.9264 17637.4899 0.0000 0.0000 34301.9744 -149119.6287 299.5677 -183421.6031 -149025.5187 299.3941 -66.5100 -36.8187 559195.5554 -6.1727 -6.1453 PRESSURE: 1468000 25.5247 170.737 -171.179 170.737 234.581 78.5836 -171.181 78.5834 -222.837 GPRESSURE: 1468000 36.5586 142.741 -148.166 242.414 236.793 27.5756 -153.16 39.0451 -143.259 PRESSAVG: 1468000 16.0904 25.1565 -23.5798 25.1565 13.6732 47.8957 -23.5799 47.8956 -13.2434 GPRESSAVG: 1468000 16.1507 25.4245 -24.9 23.9585 13.6353 46.7583 -22.8835 50.3078 -13.1672 TIMING: 1468000 CPU: 4255.78, 0.00292319/step Wall: 4255.78, 0.00292319/step, 2.86797 hours remaining, 208.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1468000 732.1326 2094.2973 1942.0122 99.3614 -206081.2974 17853.2791 0.0000 0.0000 34475.1803 -148885.0346 301.0803 -183360.2149 -148787.7596 299.8427 12.4229 43.3643 558518.2915 5.5067 5.5396 PRESSURE: 1468200 -148.469 90.8972 65.274 90.8962 333.32 148.154 65.2747 148.155 -109.096 GPRESSURE: 1468200 -38.5306 120.898 -37.5203 115.521 309.119 157.6 66.5425 85.2186 -92.4238 PRESSAVG: 1468200 -42.4385 38.3037 -60.5691 38.3037 73.038 28.2909 -60.5691 28.291 -13.9445 GPRESSAVG: 1468200 -42.1642 37.336 -59.1381 38.0691 72.1621 31.2024 -62.3978 26.2148 -13.3048 TIMING: 1468200 CPU: 4256.37, 0.00292407/step Wall: 4256.37, 0.00292407/step, 2.86867 hours remaining, 208.816406 MB of memory in use. ENERGY: 1468200 741.3445 2104.7275 1935.9931 117.7390 -206315.5201 17994.5263 0.0000 0.0000 34569.1064 -148852.0834 301.9006 -183421.1898 -148753.0300 300.6591 25.2518 59.3880 558996.5616 5.5516 5.5644 LDB: ============= START OF LOAD BALANCING ============== 4259.75 LDB: ============== END OF LOAD BALANCING =============== 4259.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4259.76 LDB: ============= START OF LOAD BALANCING ============== 4260.05 LDB: Largest compute 4794 load 0.022419 is 19.0% of average load 0.117990 LDB: Average compute 0.001703 is 1.4% of average load 0.117990 LDB: TIME 4260.05 LOAD: AVG 0.11799 MAX 0.188731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 4260.05 LOAD: AVG 0.11799 MAX 0.188731 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: TIME 4260.05 LOAD: AVG 0.11799 MAX 0.188731 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4260.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4260.06 PRESSURE: 1468400 -342.569 60.9148 -20.8034 60.9161 -75.0537 -121.995 -20.8046 -121.995 -364.841 GPRESSURE: 1468400 -299.99 38.1077 8.45136 81.8195 -37.4778 -175.276 -56.9553 -134.617 -339.446 PRESSAVG: 1468400 -31.2507 -5.24376 -62.6104 -5.24376 60.2119 44.0772 -62.6104 44.0771 2.31404 GPRESSAVG: 1468400 -32.8723 -2.86207 -63.7436 -5.36338 60.4163 43.842 -61.9319 43.3428 2.9949 TIMING: 1468400 CPU: 4256.96, 0.00297584/step Wall: 4256.96, 0.00297584/step, 2.9193 hours remaining, 207.589844 MB of memory in use. ENERGY: 1468400 761.9955 2085.1254 1914.2963 114.1558 -205690.2092 17508.6050 0.0000 0.0000 34238.0905 -149067.9407 299.0098 -183306.0312 -148969.6988 300.8833 -260.8213 -225.6380 559391.6475 10.4251 10.1796 PRESSURE: 1468600 -165.885 61.753 -8.84792 61.7532 2.72147 75.6906 -8.8485 75.6901 -180.875 GPRESSURE: 1468600 -106.542 57.2016 -79.9655 71.8887 -42.4171 97.7588 98.0666 1.27753 -93.1915 PRESSAVG: 1468600 -14.947 39.3166 31.7455 39.3164 36.4541 -16.9941 31.7456 -16.9941 -29.7258 GPRESSAVG: 1468600 -14.5098 37.2447 32.7335 42.6664 36.404 -19.0295 32.1756 -14.1161 -30.0634 TIMING: 1468600 CPU: 4257.54, 0.00291169/step Wall: 4257.54, 0.00291169/step, 2.85621 hours remaining, 207.589844 MB of memory in use. ENERGY: 1468600 727.7680 2074.3071 1907.1628 94.0982 -206119.7479 17713.9374 0.0000 0.0000 34455.0141 -149147.4604 300.9042 -183602.4745 -149050.2717 299.7127 -114.6794 -80.7170 559663.4552 -2.7396 -2.7230 PRESSURE: 1468800 113.401 161.162 1.09163 161.164 445.25 193.579 1.09164 193.58 -175.964 GPRESSURE: 1468800 198.961 108.397 47.183 219.171 405.522 207.851 -31.5697 230.346 -127.101 PRESSAVG: 1468800 25.4415 39.3774 15.3343 39.3773 -5.16153 -14.8088 15.3344 -14.8088 -29.5632 GPRESSAVG: 1468800 25.2456 38.7834 13.8811 38.9065 -5.03544 -12.9015 16.8922 -16.1602 -29.5682 TIMING: 1468800 CPU: 4258.13, 0.00291254/step Wall: 4258.13, 0.00291254/step, 2.85688 hours remaining, 207.589844 MB of memory in use. ENERGY: 1468800 742.8987 2086.9490 1926.9907 117.3030 -206376.2045 18113.7455 0.0000 0.0000 34276.1884 -149112.1292 299.3425 -183388.3176 -149017.7382 299.3924 127.5622 159.1271 558127.5467 -3.0944 -3.1193 PRESSURE: 1469000 -91.6647 83.6129 -113.358 83.6129 191.289 -128.124 -113.357 -128.125 -60.2721 GPRESSURE: 1469000 -70.2442 75.8889 -147.494 42.5922 243.832 -85.5766 -125.654 -184.173 -34.9132 PRESSAVG: 1469000 8.63247 -16.1748 -14.1558 -16.1747 54.2591 6.64778 -14.1558 6.64788 -60.9563 GPRESSAVG: 1469000 8.55865 -15.2794 -12.2781 -18.7621 54.2919 5.22786 -14.7197 6.44662 -61.4462 TIMING: 1469000 CPU: 4258.71, 0.00291586/step Wall: 4258.71, 0.00291586/step, 2.85997 hours remaining, 207.589844 MB of memory in use. ENERGY: 1469000 764.6193 2115.7793 1934.5252 106.2546 -206409.1813 17822.9975 0.0000 0.0000 34466.9941 -149198.0113 301.0088 -183665.0054 -149101.6412 300.0681 13.1173 46.2248 557340.5232 0.6451 0.4681 PRESSURE: 1469200 152.481 -19.6149 150.07 -19.6143 70.4999 92.618 150.071 92.6171 280.103 GPRESSURE: 1469200 157.174 -72.4385 133.131 37.6584 190.424 140.317 72.0583 137.053 267.112 PRESSAVG: 1469200 41.5891 19.8472 66.7818 19.8471 -11.9506 -8.69078 66.7818 -8.69087 -11.8203 GPRESSAVG: 1469200 42.0656 20.2035 68.1401 22.2741 -13.0447 -7.516 64.3914 -7.39627 -11.0054 TIMING: 1469200 CPU: 4259.29, 0.00290689/step Wall: 4259.29, 0.00290689/step, 2.85101 hours remaining, 207.589844 MB of memory in use. ENERGY: 1469200 708.1652 2107.2768 1891.9899 108.3242 -206442.5794 18041.3666 0.0000 0.0000 34353.4485 -149232.0082 300.0172 -183585.4566 -149127.0932 298.8260 167.6947 204.9032 556480.2289 5.9394 6.0052 PRESSURE: 1469400 -389.03 118.333 -117.169 118.333 -145.351 -77.7084 -117.172 -77.7076 -206.6 GPRESSURE: 1469400 -362.044 97.6708 -111.974 176.773 -97.9247 -58.9903 -101.654 -48.5302 -176.531 PRESSAVG: 1469400 -31.0232 28.6152 -58.5813 28.6152 -16.4173 -17.783 -58.5814 -17.783 45.1781 GPRESSAVG: 1469400 -30.3513 28.2701 -60.8295 28.829 -17.1097 -16.4814 -55.904 -19.8213 44.8869 TIMING: 1469400 CPU: 4259.87, 0.00291315/step Wall: 4259.87, 0.00291315/step, 2.85699 hours remaining, 207.589844 MB of memory in use. ENERGY: 1469400 725.6525 2098.6697 1937.2950 110.5921 -205808.9002 17529.3801 0.0000 0.0000 34312.0301 -149095.2807 299.6555 -183407.3108 -148993.7196 299.5318 -246.9934 -212.1663 559997.7105 -0.7541 -0.8580 PRESSURE: 1469600 150.981 164.347 77.7641 164.347 -83.6555 106.415 77.7646 106.417 296.782 GPRESSURE: 1469600 195.982 120.017 80.4749 236.52 -46.5352 37.5476 91.1885 73.1374 316.678 PRESSAVG: 1469600 -18.2428 46.5133 -42.3007 46.5133 -49.1953 11.7557 -42.3006 11.7559 45.1359 GPRESSAVG: 1469600 -19.7445 48.4908 -42.6606 44.3367 -47.782 9.58014 -43.3064 12.061 45.0567 TIMING: 1469600 CPU: 4260.45, 0.00289502/step Wall: 4260.45, 0.00289502/step, 2.83905 hours remaining, 207.589844 MB of memory in use. ENERGY: 1469600 735.1804 2106.7257 1942.8816 115.2691 -206252.1353 18002.3900 0.0000 0.0000 34189.9550 -149159.7334 298.5894 -183349.6884 -149057.1857 299.9353 121.3693 155.3751 557896.2058 -7.4341 -7.4900 PRESSURE: 1469800 171.159 58.3498 77.2741 58.3506 305.915 -148.01 77.2731 -148.013 70.3191 GPRESSURE: 1469800 204.215 109.578 66.1124 34.7364 352.861 -145.671 98.4379 -146.792 84.9293 PRESSAVG: 1469800 -0.859391 30.9411 -8.15954 30.9411 -43.6888 2.47977 -8.15965 2.47976 45.365 GPRESSAVG: 1469800 -0.457838 30.2033 -7.82983 32.0451 -44.2084 4.28017 -6.64292 2.43247 45.6986 TIMING: 1469800 CPU: 4261.03, 0.00288924/step Wall: 4261.03, 0.00288924/step, 2.83322 hours remaining, 207.589844 MB of memory in use. ENERGY: 1469800 736.4635 2102.2802 1940.2179 122.4613 -206475.8463 18078.6800 0.0000 0.0000 34465.1525 -149030.5909 300.9927 -183495.7434 -148933.2066 299.4689 182.4645 214.0018 557058.4543 0.2723 0.3441 PRESSURE: 1470000 429.146 184.5 71.1401 184.499 115.809 245.473 71.14 245.475 68.0064 GPRESSURE: 1470000 438.792 156.049 52.5678 221.619 146.241 200.839 48.8363 206.786 114.51 PRESSAVG: 1470000 -4.31855 5.42751 10.8664 5.4275 9.83137 -20.4284 10.8664 -20.4285 8.73877 GPRESSAVG: 1470000 -4.47761 4.81927 9.01023 4.88913 8.69929 -22.013 11.0476 -21.9723 9.77831 TIMING: 1470000 CPU: 4261.61, 0.00289139/step Wall: 4261.61, 0.00289139/step, 2.83517 hours remaining, 207.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1470000 743.4765 2084.8362 1918.4738 112.9725 -206511.0663 18167.5402 0.0000 0.0000 34591.1931 -148892.5739 302.0935 -183483.7670 -148790.7117 300.6124 204.3205 233.1808 556454.1601 4.7505 4.6667 PRESSURE: 1470200 -175.853 -14.8679 -146.855 -14.8688 -123.49 19.4271 -146.856 19.4274 -205.515 GPRESSURE: 1470200 -118.416 25.5721 -81.9179 24.3594 -50.4688 43.2291 -144.921 85.8089 -244.811 PRESSAVG: 1470200 -33.3832 49.291 27.6566 49.2911 62.6312 0.153736 27.6566 0.153855 -7.14002 GPRESSAVG: 1470200 -31.6478 50.4766 29.3657 50.5076 63.3011 1.27827 28.1838 1.15168 -9.74375 TIMING: 1470200 CPU: 4262.19, 0.00290607/step Wall: 4262.19, 0.00290607/step, 2.84941 hours remaining, 207.589844 MB of memory in use. ENERGY: 1470200 767.2399 2182.4058 1913.9142 115.4011 -205957.3968 17584.1973 0.0000 0.0000 34586.9448 -148807.2938 302.0564 -183394.2385 -148706.2682 300.8796 -168.2858 -137.8987 558243.6702 7.3693 7.3032 PRESSURE: 1470400 -186.144 113.269 62.6915 113.268 84.3944 25.1953 62.6908 25.1951 -14.3373 GPRESSURE: 1470400 -150.73 108.848 98.6344 108.095 152.726 40.3064 123.726 14.9282 -13.8685 PRESSAVG: 1470400 -66.9136 27.7104 26.595 27.7104 10.9502 -3.6261 26.595 -3.62604 30.5577 GPRESSAVG: 1470400 -66.4702 26.8998 27.4909 26.6374 11.1334 -4.85079 23.4207 -5.44391 29.6185 TIMING: 1470400 CPU: 4262.77, 0.00292449/step Wall: 4262.77, 0.00292449/step, 2.8673 hours remaining, 207.589844 MB of memory in use. ENERGY: 1470400 751.0600 2096.0075 1940.6051 110.7528 -206166.6858 17831.9027 0.0000 0.0000 34633.9340 -148802.4237 302.4668 -183436.3577 -148701.9907 301.3021 -38.6957 -3.9576 557398.5123 -8.4686 -8.5728 PRESSURE: 1470600 -145.345 -25.5834 104.026 -25.5842 112.694 4.58409 104.027 4.58474 121.082 GPRESSURE: 1470600 -75.2429 -89.2312 152.715 52.8563 117.981 -15.2593 110.881 -32.8607 138.966 PRESSAVG: 1470600 15.6807 19.9023 -9.70972 19.9024 -55.7554 -1.51441 -9.70976 -1.51447 50.2149 GPRESSAVG: 1470600 13.9385 19.1279 -8.62494 20.3041 -55.9641 -0.820977 -9.08696 -0.419374 52.4555 TIMING: 1470600 CPU: 4263.36, 0.00292077/step Wall: 4263.36, 0.00292077/step, 2.86349 hours remaining, 207.589844 MB of memory in use. ENERGY: 1470600 754.2513 2107.7343 1924.9822 119.4713 -205999.8873 17695.9613 0.0000 0.0000 34570.7643 -148826.7227 301.9151 -183397.4870 -148733.3276 300.6469 29.4768 60.5679 556443.3002 3.3801 3.4766 PRESSURE: 1470800 260.427 -28.6833 17.3219 -28.6824 162.252 -66.525 17.3228 -66.5245 128.312 GPRESSURE: 1470800 292.065 -72.8296 91.1896 -9.85587 224.644 -24.3351 48.1378 -174.452 133.068 PRESSAVG: 1470800 41.5158 -23.9651 -7.98863 -23.9651 -13.928 22.3891 -7.98865 22.3891 17.8927 GPRESSAVG: 1470800 41.576 -24.7032 -8.26461 -26.2354 -13.3732 22.0369 -8.31816 22.0279 16.9119 TIMING: 1470800 CPU: 4263.94, 0.00291028/step Wall: 4263.94, 0.00291028/step, 2.85305 hours remaining, 207.589844 MB of memory in use. ENERGY: 1470800 762.8194 2134.9390 1917.6235 119.6034 -205709.6080 17690.5683 0.0000 0.0000 34254.2435 -148829.8110 299.1508 -183084.0545 -148736.8378 300.9599 183.6637 216.5923 555829.0852 15.1602 15.0382 PRESSURE: 1471000 13.5276 75.2831 65.5673 75.2839 122.6 -133.425 65.5683 -133.426 80.1187 GPRESSURE: 1471000 65.5884 162.261 98.963 57.1239 133.148 -53.1033 64.6817 -127.895 111.082 PRESSAVG: 1471000 48.63 -31.5059 28.4973 -31.5059 -25.1546 -41.7329 28.4973 -41.7329 21.0521 GPRESSAVG: 1471000 48.9241 -29.8583 28.0362 -33.0035 -25.6872 -42.2306 27.7225 -40.8663 20.8759 TIMING: 1471000 CPU: 4264.52, 0.0028998/step Wall: 4264.52, 0.0028998/step, 2.84261 hours remaining, 207.589844 MB of memory in use. ENERGY: 1471000 747.4315 2134.2874 1921.3939 116.8163 -206386.9300 17928.6040 0.0000 0.0000 34586.8737 -148951.5233 302.0558 -183538.3970 -148848.3714 300.3159 72.0821 103.2729 555505.9890 14.8425 14.7043 PRESSURE: 1471200 57.998 -143.077 50.6724 -143.077 137.161 10.2531 50.6722 10.2515 -25.7413 GPRESSURE: 1471200 112.044 -124.426 71.0427 -101.726 165.569 -18.289 74.8532 -7.32773 -19.3519 PRESSAVG: 1471200 50.8775 -55.4309 6.21781 -55.4309 -2.62844 12.4718 6.21788 12.4719 -30.7392 GPRESSAVG: 1471200 51.7725 -57.1709 5.97048 -52.4269 -4.20188 12.9665 8.06459 12.8003 -29.9137 TIMING: 1471200 CPU: 4265.1, 0.00290068/step Wall: 4265.1, 0.00290068/step, 2.84331 hours remaining, 207.589844 MB of memory in use. ENERGY: 1471200 770.1868 2101.3747 1947.7213 120.6806 -206023.9942 17822.5081 0.0000 0.0000 34271.6450 -148989.8778 299.3028 -183261.5228 -148893.2293 300.5493 56.4725 86.0870 555872.8307 5.8366 5.8857 PRESSURE: 1471400 -173.795 -87.7187 79.2846 -87.7179 55.2677 -9.1477 79.2856 -9.14705 294.787 GPRESSURE: 1471400 -114.621 -75.0403 16.2464 -118.659 88.0695 -31.1234 107.944 14.5055 289.998 PRESSAVG: 1471400 13.2322 -49.5735 -16.8782 -49.5736 2.17915 -3.83635 -16.8783 -3.83631 8.92132 GPRESSAVG: 1471400 12.0673 -47.202 -18.6444 -51.298 3.81262 -2.23895 -16.1735 -4.00938 7.69627 TIMING: 1471400 CPU: 4265.68, 0.00288625/step Wall: 4265.68, 0.00288625/step, 2.829 hours remaining, 207.589844 MB of memory in use. ENERGY: 1471400 775.8131 2160.1273 1919.3021 117.4464 -206283.8646 17836.0647 0.0000 0.0000 34548.5626 -148926.5484 301.7212 -183475.1110 -148828.1068 300.5854 58.7529 87.8156 555341.6920 8.1109 7.8587 PRESSURE: 1471600 -262.251 -176.499 95.5953 -176.5 -188.433 118.503 95.5952 118.503 -305.095 GPRESSURE: 1471600 -224.948 -201.897 47.3796 -142.824 -150.633 178.609 129.656 55.6866 -281.94 PRESSAVG: 1471600 41.2695 -15.8044 4.25482 -15.8043 17.4241 25.4194 4.25486 25.4194 -83.6549 GPRESSAVG: 1471600 42.2692 -16.247 4.2158 -13.8522 16.0395 26.4614 5.03783 24.4172 -82.6727 TIMING: 1471600 CPU: 4266.26, 0.00289366/step Wall: 4266.26, 0.00289366/step, 2.8361 hours remaining, 207.589844 MB of memory in use. ENERGY: 1471600 800.9511 2091.2157 1946.8863 103.8246 -205470.9230 17286.5189 0.0000 0.0000 34218.4302 -149023.0962 298.8381 -183241.5264 -148923.2725 300.0918 -251.9265 -219.1736 555541.6489 -8.3204 -8.1213 PRESSURE: 1471800 -63.2467 -1.18733 -49.0664 -1.18797 -143.264 13.5944 -49.0674 13.5937 68.3687 GPRESSURE: 1471800 -23.7038 -60.6552 -30.4526 10.5029 -112.946 38.5014 -35.8796 12.5982 88.5808 PRESSAVG: 1471800 -6.30571 -25.4229 1.20729 -25.4228 63.9014 48.443 1.20723 48.4431 -57.9625 GPRESSAVG: 1471800 -8.08475 -28.7568 0.480539 -26.4901 65.4462 46.2833 0.627231 48.6547 -57.5728 TIMING: 1471800 CPU: 4266.84, 0.00291071/step Wall: 4266.84, 0.00291071/step, 2.85266 hours remaining, 207.589844 MB of memory in use. ENERGY: 1471800 709.1013 2084.2412 1947.3721 128.8829 -205851.6882 17592.6358 0.0000 0.0000 34507.8134 -148881.6415 301.3653 -183389.4549 -148774.8724 300.3436 -46.0474 -16.0229 556821.2933 -0.1223 -0.0705 PRESSURE: 1472000 -203.053 153.165 23.1025 153.165 117.836 -70.3831 23.1012 -70.3834 190.518 GPRESSURE: 1472000 -210.322 129.964 14.9214 110.354 124.394 -120.173 40.2074 -31.3711 280.944 PRESSAVG: 1472000 23.1396 16.2891 30.9412 16.2891 4.62633 -24.697 30.9411 -24.6969 -6.24715 GPRESSAVG: 1472000 23.0455 17.4584 29.6512 14.9652 3.88335 -25.0608 32.6088 -24.0251 -4.82374 TIMING: 1472000 CPU: 4267.42, 0.00289575/step Wall: 4267.42, 0.00289575/step, 2.83784 hours remaining, 207.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1472000 756.7709 2158.6995 1950.3519 132.6948 -205745.9496 17776.5018 0.0000 0.0000 34282.2233 -148688.7073 299.3952 -182970.9307 -148598.6761 300.4989 35.1006 65.0055 556835.9989 7.1729 7.3684 PRESSURE: 1472200 -191.797 44.6517 102.62 44.6519 113.613 -83.5501 102.621 -83.5506 5.98182 GPRESSURE: 1472200 -131.659 -19.9542 60.219 23.4362 131.892 26.0005 97.3685 -145.549 20.2773 PRESSAVG: 1472200 -14.342 18.0008 13.3333 18.0008 36.5537 -22.9102 13.3333 -22.9101 -42.0981 GPRESSAVG: 1472200 -13.8306 19.4463 15.843 19.2986 37.1144 -20.3424 10.4042 -22.5197 -43.7814 TIMING: 1472200 CPU: 4268, 0.00291213/step Wall: 4268, 0.00291213/step, 2.85372 hours remaining, 207.589844 MB of memory in use. ENERGY: 1472200 758.2908 2153.0161 1952.8465 112.8667 -205908.2192 17586.9429 0.0000 0.0000 34490.3295 -148853.9267 301.2126 -183344.2562 -148757.8585 300.6126 -24.0675 6.8369 555807.0657 -6.6288 -6.8325 LDB: ============= START OF LOAD BALANCING ============== 4271.39 LDB: ============== END OF LOAD BALANCING =============== 4271.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4271.39 LDB: ============= START OF LOAD BALANCING ============== 4271.68 LDB: Largest compute 4794 load 0.022137 is 18.8% of average load 0.117944 LDB: Average compute 0.001711 is 1.5% of average load 0.117944 LDB: TIME 4271.68 LOAD: AVG 0.117944 MAX 0.186871 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 4271.68 LOAD: AVG 0.117944 MAX 0.186871 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.074 MB LDB: TIME 4271.68 LOAD: AVG 0.117944 MAX 0.186871 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4271.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4271.69 PRESSURE: 1472400 -0.294125 68.8937 -16.8839 68.8925 -236.367 -111.302 -16.8832 -111.301 208.229 GPRESSURE: 1472400 -8.01862 101.175 17.1879 68.4783 -178.26 -148.068 -96.4955 -79.6994 259.316 PRESSAVG: 1472400 -29.8816 0.124188 -15.0606 0.124167 -68.1142 -12.7309 -15.0605 -12.731 70.0117 GPRESSAVG: 1472400 -30.169 1.27985 -13.6913 1.19373 -67.7493 -15.6812 -14.6824 -11.5125 69.9078 TIMING: 1472400 CPU: 4268.59, 0.00296178/step Wall: 4268.59, 0.00296178/step, 2.90222 hours remaining, 207.589844 MB of memory in use. ENERGY: 1472400 725.7456 2149.2549 1952.6880 123.2147 -205721.2855 17581.6872 0.0000 0.0000 34265.5282 -148923.1669 299.2494 -183188.6951 -148823.3229 300.7905 -9.4775 24.3457 556320.6308 -9.3280 -9.3368 PRESSURE: 1472600 221.775 20.4301 -157.25 20.4311 130.7 25.2099 -157.248 25.2097 222.943 GPRESSURE: 1472600 307.513 0.566861 -197.311 -14.5755 168.736 -76.5453 -148.228 82.9327 204.492 PRESSAVG: 1472600 8.57727 -24.0111 -8.46922 -24.0111 -54.8761 -42.7692 -8.46926 -42.7692 12.1336 GPRESSAVG: 1472600 9.18627 -25.3882 -9.54135 -24.0436 -55.2282 -42.3811 -7.4032 -42.0052 12.1555 TIMING: 1472600 CPU: 4269.17, 0.00289441/step Wall: 4269.17, 0.00289441/step, 2.83604 hours remaining, 207.589844 MB of memory in use. ENERGY: 1472600 729.1328 2117.0373 1955.9148 117.9443 -206161.0923 17889.5062 0.0000 0.0000 34458.0577 -148893.4991 300.9308 -183351.5569 -148795.9397 299.9337 191.8060 226.9138 556548.3236 -11.3884 -11.2954 PRESSURE: 1472800 -259.795 13.6291 -229.158 13.6283 151.196 -46.8749 -229.158 -46.8777 112.619 GPRESSURE: 1472800 -172.801 4.29377 -251.238 -69.4276 145.05 -52.9033 -281.763 -27.5007 121.842 PRESSAVG: 1472800 -20.737 16.7165 -27.6707 16.7163 17.491 -18.9082 -27.6708 -18.9081 12.9124 GPRESSAVG: 1472800 -21.2974 17.4994 -28.1791 14.0012 18.0438 -17.9209 -28.5649 -19.9128 12.6625 TIMING: 1472800 CPU: 4269.75, 0.00289453/step Wall: 4269.75, 0.00289453/step, 2.836 hours remaining, 207.589844 MB of memory in use. ENERGY: 1472800 746.2978 2030.1446 1950.7242 117.6137 -205809.5348 17724.1268 0.0000 0.0000 34247.2151 -148993.4127 299.0894 -183240.6277 -148894.2566 299.9482 1.3404 31.3640 557917.8576 3.2221 3.1363 PRESSURE: 1473000 271.208 -139.401 -36.1929 -139.401 -161.805 -106.926 -36.1925 -106.927 133.575 GPRESSURE: 1473000 285.241 -139.583 12.4059 -172.504 -115.909 -223.63 -49.3009 -114.1 182.881 PRESSAVG: 1473000 27.5267 -29.1774 -6.35562 -29.1773 -20.7994 -21.8374 -6.35556 -21.8374 -6.77599 GPRESSAVG: 1473000 27.7457 -29.0529 -7.05801 -28.0787 -20.8352 -23.5276 -4.73131 -21.5791 -6.7616 TIMING: 1473000 CPU: 4270.33, 0.00289689/step Wall: 4270.33, 0.00289689/step, 2.83815 hours remaining, 207.589844 MB of memory in use. ENERGY: 1473000 737.0959 2072.9791 1910.8792 118.8790 -206002.7326 17891.0647 0.0000 0.0000 34375.9465 -148895.8882 300.2137 -183271.8347 -148800.7124 299.9566 80.9924 117.4045 557697.7444 -0.0162 0.0496 PRESSURE: 1473200 190.392 78.1809 -132.113 78.1812 -131.065 -179.278 -132.113 -179.279 74.923 GPRESSURE: 1473200 225.832 21.478 -99.5229 113.762 -59.2972 -97.0112 -106.408 -211.489 68.9882 PRESSAVG: 1473200 53.3276 26.0114 1.34699 26.0114 -48.6591 -11.0806 1.34706 -11.0806 23.403 GPRESSAVG: 1473200 52.3072 26.8151 1.31301 26.1903 -46.9214 -9.78699 0.889951 -12.62 22.6176 TIMING: 1473200 CPU: 4270.91, 0.00289767/step Wall: 4270.91, 0.00289767/step, 2.83875 hours remaining, 207.589844 MB of memory in use. ENERGY: 1473200 733.0917 2044.0861 1946.6784 123.1448 -205709.5959 17650.4040 0.0000 0.0000 34343.1365 -148869.0544 299.9272 -183212.1909 -148777.1533 299.7989 44.7501 78.5078 557725.2597 9.3571 9.3345 PRESSURE: 1473400 111.089 -45.8888 124.001 -45.8891 -17.3236 214.72 124.002 214.72 255.664 GPRESSURE: 1473400 101.611 6.75719 46.0958 -31.2382 11.3799 142.08 181.942 228.163 330.25 PRESSAVG: 1473400 24.1122 5.64243 -3.23323 5.64241 -0.053587 48.575 -3.23319 48.5751 23.7741 GPRESSAVG: 1473400 24.9433 4.10473 -1.82053 6.1337 -2.2434 47.9549 -3.14693 48.6929 24.6208 TIMING: 1473400 CPU: 4271.49, 0.00288979/step Wall: 4271.49, 0.00288979/step, 2.83087 hours remaining, 207.589844 MB of memory in use. ENERGY: 1473400 729.6238 2084.0693 1912.7700 108.1851 -205727.7725 17704.3411 0.0000 0.0000 34235.4877 -148953.2956 298.9870 -183188.7832 -148853.7043 299.9403 116.4766 147.7468 558209.5570 15.9442 15.7736 PRESSURE: 1473600 152.883 26.2556 -91.1475 26.2563 40.7994 148.72 -91.1464 148.719 20.4197 GPRESSURE: 1473600 173.515 5.32738 -80.7279 -30.206 53.7125 164.341 -13.2096 111.435 95.5209 PRESSAVG: 1473600 -36.5891 -5.11722 -2.26498 -5.11724 11.7256 9.60864 -2.26497 9.60868 2.77462 GPRESSAVG: 1473600 -36.2349 -4.3863 -2.04457 -5.91707 11.4993 11.6771 -2.29742 8.8398 2.86987 TIMING: 1473600 CPU: 4272.06, 0.00288147/step Wall: 4272.06, 0.00288147/step, 2.82256 hours remaining, 207.589844 MB of memory in use. ENERGY: 1473600 741.8737 2086.6703 1918.7085 112.0396 -206425.4879 18013.5628 0.0000 0.0000 34421.5846 -149131.0484 300.6123 -183552.6330 -149030.0612 299.2619 71.3674 107.5826 557400.3355 -7.3630 -7.2886 PRESSURE: 1473800 -115.698 136.544 135.146 136.545 23.7807 20.3625 135.146 20.3624 -20.6848 GPRESSURE: 1473800 -70.3714 140.565 73.3799 111.484 -18.1657 -27.4937 144.354 57.5226 65.4294 PRESSAVG: 1473800 -5.04001 27.8406 51.5225 27.8407 8.09285 16.8642 51.5225 16.8642 22.989 GPRESSAVG: 1473800 -6.36972 27.5036 49.4385 28.4098 7.50626 17.058 52.3623 17.4396 24.1677 TIMING: 1473800 CPU: 4272.64, 0.00290012/step Wall: 4272.64, 0.00290012/step, 2.84066 hours remaining, 207.589844 MB of memory in use. ENERGY: 1473800 745.3768 2140.3688 1904.9817 106.3333 -206008.3517 17703.9754 0.0000 0.0000 34394.8257 -149012.4900 300.3786 -183407.3156 -148908.0547 299.8901 -37.5341 -7.7026 557288.9894 8.6806 8.4347 PRESSURE: 1474000 -45.9134 78.6225 -90.4876 78.6231 -29.1179 -58.6957 -90.4882 -58.6958 -210.676 GPRESSURE: 1474000 -18.1902 119.344 -28.1671 82.6499 20.942 -46.1625 -84.6668 -113.959 -185.559 PRESSAVG: 1474000 -10.8312 -1.16242 -102.491 -1.16232 43.8982 -66.1697 -102.491 -66.1696 -22.0899 GPRESSAVG: 1474000 -10.1759 -0.365423 -100.384 -1.49457 44.4307 -66.5063 -102.471 -68.6955 -22.9382 TIMING: 1474000 CPU: 4273.23, 0.00291736/step Wall: 4273.23, 0.00291736/step, 2.8574 hours remaining, 207.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1474000 729.4304 2077.3213 1927.0959 121.1254 -205836.2760 17436.3643 0.0000 0.0000 34457.3195 -149087.6192 300.9243 -183544.9387 -148984.4620 299.9368 -95.2359 -60.9356 555466.2077 3.6590 3.7722 PRESSURE: 1474200 87.5417 140.821 -191.896 140.821 -180.003 212.931 -191.897 212.93 102.186 GPRESSURE: 1474200 130.139 159.372 -177.937 114.413 -147.884 169.502 -203.459 239.611 131.394 PRESSAVG: 1474200 -10.962 47.9735 -71.7167 47.9735 7.41577 -42.6959 -71.7169 -42.6959 15.7239 GPRESSAVG: 1474200 -10.317 47.8167 -71.9456 50.5749 6.40455 -42.9458 -72.8835 -41.842 16.2367 TIMING: 1474200 CPU: 4273.81, 0.00289034/step Wall: 4273.81, 0.00289034/step, 2.83077 hours remaining, 207.589844 MB of memory in use. ENERGY: 1474200 754.3237 2128.3615 1942.1171 120.8537 -205950.2104 17700.1362 0.0000 0.0000 34153.6196 -149150.7986 298.2721 -183304.4182 -149060.7385 300.3620 3.2416 37.8830 558222.5645 4.0592 4.1081 PRESSURE: 1474400 119.417 -39.938 71.6505 -39.9379 19.0079 -173.668 71.6499 -173.666 -67.2225 GPRESSURE: 1474400 155.846 -16.8146 56.2095 -29.491 86.812 -156.466 51.4513 -113.274 -66.1337 PRESSAVG: 1474400 47.0008 28.4958 -43.172 28.4957 -15.0383 -35.1454 -43.172 -35.1455 -6.34644 GPRESSAVG: 1474400 47.6337 28.2028 -42.036 26.4276 -14.9507 -33.5898 -44.4148 -33.4886 -7.18246 TIMING: 1474400 CPU: 4274.38, 0.00289462/step Wall: 4274.38, 0.00289462/step, 2.8348 hours remaining, 207.589844 MB of memory in use. ENERGY: 1474400 764.5639 2101.4694 1936.8060 125.7181 -206245.6453 17951.4466 0.0000 0.0000 34065.1777 -149300.4637 297.4997 -183365.6414 -149203.2263 298.9689 23.7341 58.8413 558551.8054 8.5387 8.5002 PRESSURE: 1474600 -50.2459 10.5693 1.66557 10.5689 -88.4928 19.4677 1.66619 19.4679 -53.5457 GPRESSURE: 1474600 -28.4568 -41.3398 -59.6309 33.9538 -80.0289 60.9497 -12.0386 -4.1414 6.27944 PRESSAVG: 1474600 9.40144 35.333 -5.63786 35.333 31.6613 -53.8174 -5.63782 -53.8173 -31.6677 GPRESSAVG: 1474600 8.82034 33.7625 -6.08435 36.6566 32.7553 -55.9402 -5.08859 -54.0688 -32.6544 TIMING: 1474600 CPU: 4274.96, 0.0028852/step Wall: 4274.96, 0.0028852/step, 2.82541 hours remaining, 207.589844 MB of memory in use. ENERGY: 1474600 731.2288 2094.0503 1947.5141 117.0348 -206306.4677 17930.5293 0.0000 0.0000 34209.8107 -149276.2996 298.7628 -183486.1103 -149179.3712 298.6420 -64.0948 -34.0687 559354.7846 3.1317 2.9737 PRESSURE: 1474800 32.1776 -68.9176 177.154 -68.9176 88.0222 45.7506 177.155 45.7499 -155.115 GPRESSURE: 1474800 15.1271 -96.9957 201.325 -54.3304 84.3415 189.938 194.648 55.5475 -43.6036 PRESSAVG: 1474800 -18.8771 -27.1192 37.5764 -27.1192 -3.46329 24.4968 37.5763 24.4968 -0.949738 GPRESSAVG: 1474800 -19.7214 -24.3134 35.687 -28.0017 -3.28015 25.5775 39.8326 24.0964 -0.0225625 TIMING: 1474800 CPU: 4275.54, 0.00290392/step Wall: 4275.54, 0.00290392/step, 2.84359 hours remaining, 207.589844 MB of memory in use. ENERGY: 1474800 693.6181 2097.0709 1938.4514 114.7872 -205801.4566 17641.1287 0.0000 0.0000 34270.8167 -149045.5835 299.2956 -183316.4002 -148951.2102 299.8275 -11.6384 18.6217 558380.5694 -7.7634 -7.6747 PRESSURE: 1475000 -161.018 -58.9788 -97.6139 -58.9803 -28.3436 -76.9796 -97.6144 -76.9777 -278.685 GPRESSURE: 1475000 -69.3813 -98.1409 -124.497 -48.034 -37.1876 -73.1357 -5.39511 -10.2441 -253.719 PRESSAVG: 1475000 -5.07935 -26.0128 51.1486 -26.0129 36.4613 13.6645 51.1486 13.6645 -75.405 GPRESSAVG: 1475000 -4.52392 -26.6928 51.0529 -26.1767 36.7454 13.9504 49.5518 13.4102 -76.2147 TIMING: 1475000 CPU: 4276.12, 0.00289621/step Wall: 4276.12, 0.00289621/step, 2.83587 hours remaining, 207.589844 MB of memory in use. ENERGY: 1475000 744.7525 2112.7758 1925.5547 121.6946 -205504.6437 17328.9340 0.0000 0.0000 34135.4471 -149135.4850 298.1133 -183270.9321 -149038.3482 299.7138 -156.0155 -120.0958 557993.7561 -14.6743 -14.6644 PRESSURE: 1475200 -152.177 155.12 119.388 155.12 -125.919 -59.8382 119.389 -59.8375 -206.5 GPRESSURE: 1475200 -114.293 177.285 96.8445 156.495 -91.7327 52.0451 25.5581 -162.462 -176.942 PRESSAVG: 1475200 1.41168 43.8091 31.3529 43.8091 17.9424 4.08288 31.353 4.08302 -27.8787 GPRESSAVG: 1475200 0.500403 44.2524 32.5912 46.5772 18.9751 5.50255 33.2609 5.37713 -28.0573 TIMING: 1475200 CPU: 4276.7, 0.00290707/step Wall: 4276.7, 0.00290707/step, 2.84635 hours remaining, 207.589844 MB of memory in use. ENERGY: 1475200 784.5440 2119.6972 1926.6711 124.7582 -206184.1693 17663.0707 0.0000 0.0000 34248.5529 -149316.8752 299.1011 -183565.4281 -149214.6436 299.2107 -161.5323 -127.6561 557380.6717 -2.8415 -2.8606 PRESSURE: 1475400 133.975 82.822 76.1404 82.8239 -55.6001 32.8554 76.1393 32.8555 -252.049 GPRESSURE: 1475400 125.433 122.48 100.945 50.8047 -31.5499 99.9607 -37.6964 -81.3472 -178 PRESSAVG: 1475400 -20.4048 32.5366 -23.8369 32.5367 35.8204 -37.5532 -23.8369 -37.5533 20.9724 GPRESSAVG: 1475400 -19.5926 32.7353 -25.2489 28.7032 36.2266 -40.6655 -26.8522 -36.957 20.3621 TIMING: 1475400 CPU: 4277.28, 0.00291117/step Wall: 4277.28, 0.00291117/step, 2.8502 hours remaining, 207.589844 MB of memory in use. ENERGY: 1475400 779.2533 2068.4770 1939.7909 123.1837 -206419.4826 17921.7561 0.0000 0.0000 34210.6362 -149376.3854 298.7700 -183587.0216 -149282.9904 298.3407 -57.8915 -28.0390 557695.9137 12.1293 12.3320 PRESSURE: 1475600 53.6063 71.3122 -3.29619 71.3121 -26.0991 87.5314 -3.29582 87.533 133.009 GPRESSURE: 1475600 56.7624 71.1512 -46.2078 -16.2508 8.0757 136.913 56.2354 89.7529 211.548 PRESSAVG: 1475600 38.9831 61.9897 65.8613 61.9897 60.9227 -3.41168 65.8613 -3.4115 -113.716 GPRESSAVG: 1475600 39.1607 61.6985 67.1657 61.9714 59.9621 -3.35533 67.9122 -4.08415 -112.473 TIMING: 1475600 CPU: 4277.87, 0.00291558/step Wall: 4277.87, 0.00291558/step, 2.85435 hours remaining, 207.589844 MB of memory in use. ENERGY: 1475600 755.1700 2057.8467 1907.0988 106.6675 -206501.7526 18004.3744 0.0000 0.0000 34359.9996 -149310.5955 300.0744 -183670.5951 -149213.2764 298.7271 53.5053 92.1287 557952.8271 -4.6035 -4.4502 PRESSURE: 1475800 15.41 -54.0995 -122.47 -54.0993 -247.724 131.08 -122.471 131.081 -320.242 GPRESSURE: 1475800 14.762 -58.1741 -186.988 13.099 -218.996 142.485 -184.703 108.849 -249.817 PRESSAVG: 1475800 35.7751 26.5587 44.3897 26.5588 17.2437 30.9026 44.3896 30.9025 -77.2832 GPRESSAVG: 1475800 35.6778 28.0148 45.0478 26.6646 17.1943 35.0838 42.4234 30.5144 -77.1138 TIMING: 1475800 CPU: 4278.45, 0.00292201/step Wall: 4278.45, 0.00292201/step, 2.86049 hours remaining, 207.589844 MB of memory in use. ENERGY: 1475800 755.2307 2099.4377 1925.9914 104.8407 -205918.2916 17578.9359 0.0000 0.0000 34305.0847 -149148.7705 299.5948 -183453.8551 -149056.4011 299.3231 -184.1852 -151.3504 558722.5691 -8.0881 -8.0806 PRESSURE: 1476000 -20.4871 -82.0155 -44.8484 -82.0154 -13.7333 30.142 -44.848 30.14 77.9238 GPRESSURE: 1476000 43.2154 -68.4233 -12.8497 -70.4547 15.7874 144.192 -58.9327 -10.9694 81.1244 PRESSAVG: 1476000 28.2905 -6.27238 -36.1265 -6.27243 -21.6076 47.5693 -36.1266 47.5693 -39.9728 GPRESSAVG: 1476000 28.5769 -8.54701 -37.2586 -4.55634 -21.4764 46.1565 -35.9134 48.2179 -40.1904 TIMING: 1476000 CPU: 4279.04, 0.00293663/step Wall: 4279.04, 0.00293663/step, 2.87463 hours remaining, 207.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1476000 727.9457 2070.9653 1968.8325 122.7264 -205742.9119 17668.5526 0.0000 0.0000 34114.3131 -149069.5763 297.9288 -183183.8894 -148980.6114 299.3251 14.5678 46.7090 556590.1087 -11.0967 -11.0299 PRESSURE: 1476200 89.1452 -17.4544 95.4484 -17.4536 154.525 -85.7584 95.4483 -85.7585 379.802 GPRESSURE: 1476200 118.43 -48.1391 103.409 -22.2059 189.869 -112.684 42.2884 -29.8488 416.443 PRESSAVG: 1476200 91.8675 7.55235 4.4531 7.55242 -47.0949 -13.5668 4.45314 -13.5669 8.60738 GPRESSAVG: 1476200 92.4767 7.17745 4.48049 9.21186 -47.1844 -15.1453 4.89447 -15.4757 7.59431 TIMING: 1476200 CPU: 4279.62, 0.00291676/step Wall: 4279.62, 0.00291676/step, 2.85502 hours remaining, 207.589844 MB of memory in use. ENERGY: 1476200 763.0015 2076.8066 1919.4040 111.2031 -206164.4438 18023.2462 0.0000 0.0000 34239.0890 -149031.6935 299.0185 -183270.7825 -148935.2694 298.9642 207.8242 241.5807 555169.5531 17.7933 17.6289 LDB: ============= START OF LOAD BALANCING ============== 4283.01 LDB: ============== END OF LOAD BALANCING =============== 4283.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4283.01 LDB: ============= START OF LOAD BALANCING ============== 4283.3 LDB: Largest compute 4794 load 0.021849 is 18.5% of average load 0.118014 LDB: Average compute 0.001707 is 1.4% of average load 0.118014 LDB: TIME 4283.31 LOAD: AVG 0.118014 MAX 0.187059 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 4283.31 LOAD: AVG 0.118014 MAX 0.187059 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: TIME 4283.31 LOAD: AVG 0.118014 MAX 0.187059 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: ============== END OF LOAD BALANCING =============== 4283.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4283.31 PRESSURE: 1476400 -104.115 34.7853 65.5601 34.786 -83.3461 -144.465 65.5597 -144.465 -22.955 GPRESSURE: 1476400 -71.1421 46.1054 63.0297 -22.7383 -86.6591 -63.956 95.4308 -192.495 51.7051 PRESSAVG: 1476400 65.553 76.2716 4.88629 76.2716 -15.7863 67.8442 4.88634 67.8442 -41.3922 GPRESSAVG: 1476400 65.2761 76.6002 5.26066 73.6801 -16.5141 69.2726 6.34922 69.9727 -40.6264 TIMING: 1476400 CPU: 4280.22, 0.00297247/step Wall: 4280.22, 0.00297247/step, 2.90939 hours remaining, 210.152344 MB of memory in use. ENERGY: 1476400 758.3912 2038.8440 1937.5601 101.2636 -205927.6465 17704.6719 0.0000 0.0000 34394.8920 -148992.0235 300.3791 -183386.9156 -148895.8933 299.7321 -70.1387 -35.3654 556710.7727 2.7915 2.7119 PRESSURE: 1476600 341.1 190.655 26.5094 190.657 364.428 -11.2955 26.5097 -11.2956 76.6038 GPRESSURE: 1476600 376.732 88.5059 -43.7106 228.734 448.383 -0.217578 -3.24725 -55.676 55.8858 PRESSAVG: 1476600 45.064 46.3259 5.31638 46.326 -61.198 1.7085 5.31634 1.70861 26.6317 GPRESSAVG: 1476600 44.2841 47.1045 5.9609 46.4273 -60.8069 -0.641904 3.15684 1.46581 27.0893 TIMING: 1476600 CPU: 4280.8, 0.00289575/step Wall: 4280.8, 0.00289575/step, 2.83414 hours remaining, 210.355469 MB of memory in use. ENERGY: 1476600 748.1963 2101.2278 1954.4114 118.0181 -206643.1505 18227.2262 0.0000 0.0000 34528.8763 -148965.1944 301.5493 -183494.0706 -148871.3659 300.3511 260.7107 293.6668 555645.2290 3.4993 3.5222 PRESSURE: 1476800 41.4036 11.5211 -208.934 11.5218 61.2039 28.3691 -208.935 28.37 -364.539 GPRESSURE: 1476800 43.4373 13.5269 -164.814 19.0808 135.631 106.355 -178.836 17.4161 -339.974 PRESSAVG: 1476800 42.4778 -9.80571 42.9502 -9.80573 19.9123 53.1038 42.9502 53.1038 -15.336 GPRESSAVG: 1476800 42.3905 -9.87957 41.4707 -8.73967 18.9228 55.5312 44.3547 51.1661 -14.5956 TIMING: 1476800 CPU: 4281.37, 0.00288143/step Wall: 4281.37, 0.00288143/step, 2.81996 hours remaining, 210.355469 MB of memory in use. ENERGY: 1476800 803.5005 2155.8100 1944.4329 114.2052 -206297.2573 17938.6018 0.0000 0.0000 34402.9934 -148937.7136 300.4499 -183340.7069 -148841.9535 300.0744 -87.3106 -53.6353 558899.0352 15.6847 15.5726 PRESSURE: 1477000 -69.4108 -90.6234 -172.97 -90.623 -2.36962 -3.13997 -172.97 -3.13873 -137.395 GPRESSURE: 1477000 -42.9844 -124.363 -264.345 -64.276 11.8608 8.60582 -143.082 0.249317 -82.8643 PRESSAVG: 1477000 -2.83422 10.1794 -12.8413 10.1793 -27.5952 -3.80766 -12.8413 -3.80768 22.6166 GPRESSAVG: 1477000 -3.25189 10.4188 -11.4889 11.2693 -26.0449 -2.8364 -12.5198 -3.3498 21.4877 TIMING: 1477000 CPU: 4281.95, 0.00289824/step Wall: 4281.95, 0.00289824/step, 2.83625 hours remaining, 210.355469 MB of memory in use. ENERGY: 1477000 776.6320 2108.0503 1972.4173 120.0305 -205726.9769 17574.4318 0.0000 0.0000 34330.7672 -148844.6478 299.8191 -183175.4150 -148751.5796 300.4183 -69.7252 -37.9960 557635.4838 -2.6043 -2.6030 PRESSURE: 1477200 -313.806 -6.3539 30.6037 -6.35315 -164.996 -5.65322 30.6042 -5.65477 -72.902 GPRESSURE: 1477200 -221.539 3.73876 54.646 -61.3665 -204.817 -21.4159 -12.5097 42.9327 -19.2061 PRESSAVG: 1477200 -8.30916 -4.01918 27.4747 -4.01911 -43.745 14.5509 27.4747 14.5509 37.8212 GPRESSAVG: 1477200 -8.18808 -3.36193 27.4262 -5.96501 -44.1274 11.799 27.9755 17.0945 37.8943 TIMING: 1477200 CPU: 4282.53, 0.00288684/step Wall: 4282.53, 0.00288684/step, 2.82493 hours remaining, 210.355469 MB of memory in use. ENERGY: 1477200 761.6047 2201.8440 1940.0787 114.6796 -205515.1978 17351.7733 0.0000 0.0000 34299.5120 -148845.7055 299.5462 -183145.2175 -148745.2976 300.3999 -183.9013 -148.5208 558385.0956 -4.7443 -4.8071 PRESSURE: 1477400 -99.0131 66.2627 -134.88 66.2629 107.659 -10.8407 -134.879 -10.84 -239.994 GPRESSURE: 1477400 -86.5782 112.854 -116.491 154.593 161.798 -32.1205 -126.464 -26.2324 -209.093 PRESSAVG: 1477400 -43.458 3.26855 4.77038 3.26844 59.398 12.1011 4.77042 12.1012 11.2636 GPRESSAVG: 1477400 -43.8626 2.48734 3.38376 5.19114 58.3529 13.1223 4.65862 10.9613 12.7989 TIMING: 1477400 CPU: 4283.11, 0.00291292/step Wall: 4283.11, 0.00291292/step, 2.85029 hours remaining, 210.355469 MB of memory in use. ENERGY: 1477400 717.3272 2113.2007 1940.6626 119.2465 -205839.5695 17534.5289 0.0000 0.0000 34493.5716 -148921.0322 301.2409 -183414.6038 -148821.5155 300.4651 -77.1160 -44.6245 556208.5800 9.0679 9.0964 PRESSURE: 1477600 142.289 172.82 2.1264 172.819 93.4503 188.732 2.12644 188.733 100.395 GPRESSURE: 1477600 115.589 181.028 46.5026 203.334 122.982 221.809 -36.9424 177.285 196.982 PRESSAVG: 1477600 -26.708 37.0961 7.36855 37.0961 14.1305 -19.3872 7.36853 -19.3872 32.0921 GPRESSAVG: 1477600 -26.6623 37.3336 8.46958 34.558 15.5012 -19.4789 5.81705 -17.9275 30.3289 TIMING: 1477600 CPU: 4283.7, 0.00291215/step Wall: 4283.7, 0.00291215/step, 2.84937 hours remaining, 210.355469 MB of memory in use. ENERGY: 1477600 738.0826 2074.5289 1987.3869 117.6615 -206585.8658 18053.0696 0.0000 0.0000 34523.9950 -149091.1412 301.5066 -183615.1362 -148993.6077 300.0494 112.0447 145.1843 555737.0352 6.5049 6.3893 PRESSURE: 1477800 -42.8922 -162.485 157.906 -162.486 -346.95 -26.6038 157.907 -26.6059 -45.7845 GPRESSURE: 1477800 -38.3082 -105.467 142.499 -144.994 -323.057 -36.324 92.8976 -52.1906 32.4906 PRESSAVG: 1477800 34.5926 -47.0711 20.417 -47.0712 -32.3348 -22.1132 20.417 -22.1133 -18.3297 GPRESSAVG: 1477800 34.6816 -48.5317 20.9511 -45.3939 -32.1751 -22.0437 19.2799 -23.1334 -18.4388 TIMING: 1477800 CPU: 4284.28, 0.00289975/step Wall: 4284.28, 0.00289975/step, 2.83708 hours remaining, 210.355469 MB of memory in use. ENERGY: 1477800 798.9224 2104.9901 1946.4230 116.9733 -206267.5566 17718.5085 0.0000 0.0000 34505.5665 -149076.1728 301.3457 -183581.7393 -148984.9642 299.9233 -145.2088 -109.6249 557457.7027 -5.3573 -5.3107 PRESSURE: 1478000 143.485 -51.1468 -46.3673 -51.1468 -98.0911 45.7133 -46.3674 45.7128 -221.566 GPRESSURE: 1478000 194.541 -1.94549 -48.7259 -5.0205 -76.2384 89.5984 -54.06 78.4267 -197.518 PRESSAVG: 1478000 13.992 11.8343 -50.3065 11.8343 22.9651 69.2406 -50.3064 69.2407 0.210267 GPRESSAVG: 1478000 14.1354 11.0019 -52.1562 13.7098 22.4723 70.0478 -47.7676 69.6082 1.08661 TIMING: 1478000 CPU: 4284.85, 0.00288343/step Wall: 4284.85, 0.00288343/step, 2.82095 hours remaining, 210.355469 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: 1478000 728.0362 2063.7566 1953.9002 102.6270 -205955.2032 17681.8896 0.0000 0.0000 34247.7003 -149177.2932 299.0937 -183424.9936 -149079.8135 299.5195 -58.7240 -26.4049 558043.0939 12.3891 12.5648 PRESSURE: 1478200 -302.527 -59.3868 -174.418 -59.3856 -107.76 86.0076 -174.417 86.0082 -338.026 GPRESSURE: 1478200 -235.589 -67.8885 -63.2499 -49.5144 -115.185 203.597 -221.343 -2.44827 -301.459 PRESSAVG: 1478200 -27.652 -8.12984 -10.3986 -8.12984 -16.7222 7.15043 -10.3986 7.15033 65.4994 GPRESSAVG: 1478200 -28.158 -4.2802 -10.7382 -10.7156 -17.1395 5.38727 -10.6929 8.5856 65.7588 TIMING: 1478200 CPU: 4285.43, 0.00289658/step Wall: 4285.43, 0.00289659/step, 2.83366 hours remaining, 210.425781 MB of memory in use. ENERGY: 1478200 761.7135 2134.7050 1945.4794 113.0379 -205913.9230 17447.6773 0.0000 0.0000 34315.5486 -149195.7613 299.6862 -183511.3099 -149098.8822 299.7323 -249.4373 -217.4110 556932.7678 7.0417 6.8204 PRESSURE: 1478400 -40.1852 162.884 20.8827 162.884 23.1774 302.848 20.884 302.85 -45.8993 GPRESSURE: 1478400 -17.1709 119.178 -15.4777 87.1721 109.389 375.863 41.7108 203.334 -51.0048 PRESSAVG: 1478400 -0.717162 67.851 21.6432 67.851 -24.552 11.1978 21.6431 11.1979 9.69089 GPRESSAVG: 1478400 0.835397 67.1431 20.791 67.8433 -24.9248 13.219 21.0785 8.31598 8.66864 TIMING: 1478400 CPU: 4286.01, 0.00289265/step Wall: 4286.01, 0.00289265/step, 2.82965 hours remaining, 210.425781 MB of memory in use. ENERGY: 1478400 748.0298 2150.1422 1949.8363 110.3467 -206392.3367 17886.8064 0.0000 0.0000 34436.3940 -149110.7814 300.7416 -183547.1754 -149013.3745 299.5025 -20.9690 13.7376 558367.4854 -5.1928 -5.1403 PRESSURE: 1478600 140.698 103.729 -159.757 103.729 -14.0312 -1.13675 -159.756 -1.13572 20.6628 GPRESSURE: 1478600 180.329 173.834 -103.459 141.357 8.62177 -99.1223 -172.115 -19.4739 52.1708 PRESSAVG: 1478600 23.04 87.8008 -1.05167 87.8007 10.053 58.5988 -1.05166 58.599 -34.3072 GPRESSAVG: 1478600 22.3683 88.0722 0.574825 86.4423 10.7342 56.7018 -0.0639195 59.1576 -34.3903 TIMING: 1478600 CPU: 4286.59, 0.00290363/step Wall: 4286.59, 0.00290363/step, 2.84024 hours remaining, 210.425781 MB of memory in use. ENERGY: 1478600 749.6561 2108.5046 1935.0845 116.9088 -206291.2356 17937.4503 0.0000 0.0000 34299.9963 -149143.6351 299.5504 -183443.6314 -149041.8671 299.9728 49.1099 80.3740 557423.1280 -0.4047 -0.4293 PRESSURE: 1478800 260.255 3.58756 -18.753 3.58803 -71.2909 -10.7372 -18.7537 -10.7367 115.276 GPRESSURE: 1478800 316.527 -53.0341 -80.194 59.1283 -0.360642 34.0168 -50.4429 -36.8693 81.4694 PRESSAVG: 1478800 20.4657 -11.3579 27.1055 -11.3579 -44.3574 -22.9789 27.1055 -22.979 27.8919 GPRESSAVG: 1478800 20.4525 -12.4719 25.2245 -8.16437 -43.3149 -20.6083 28.6928 -22.9748 27.1312 TIMING: 1478800 CPU: 4287.17, 0.00288519/step Wall: 4287.17, 0.00288519/step, 2.82204 hours remaining, 210.425781 MB of memory in use. ENERGY: 1478800 718.7738 2112.1065 1937.8065 116.4033 -206181.1242 17990.6283 0.0000 0.0000 34262.6855 -149042.7204 299.2246 -183305.4058 -148941.8252 299.4509 101.4134 132.5452 557175.9754 1.3334 1.4229 PRESSURE: 1479000 -41.3739 -86.2828 85.7516 -86.282 -212.88 91.3631 85.7501 91.364 -63.3051 GPRESSURE: 1479000 13.7985 -117.781 87.7879 -120.428 -196.452 84.9365 93.5579 -28.3146 -46.1084 PRESSAVG: 1479000 -93.3483 -20.4614 5.31157 -20.4614 29.3207 -70.0685 5.31153 -70.0685 72.258 GPRESSAVG: 1479000 -92.8875 -20.6356 5.35044 -20.7394 27.5321 -71.2875 4.40365 -70.2511 73.2889 TIMING: 1479000 CPU: 4287.75, 0.0029177/step Wall: 4287.75, 0.0029177/step, 2.85367 hours remaining, 210.625000 MB of memory in use. ENERGY: 1479000 779.2164 2092.0606 1943.4172 112.1318 -205834.7644 17487.6711 0.0000 0.0000 34296.9531 -149123.3142 299.5238 -183420.2673 -149031.6643 299.2183 -105.8529 -76.2538 556009.4372 2.7435 2.6445 PRESSURE: 1479200 64.8172 -97.524 128.364 -97.5261 55.5609 62.4782 128.363 62.4779 -71.2096 GPRESSURE: 1479200 67.7278 -43.486 183.527 -166.615 103.43 19.4994 164.238 74.6563 -25.3226 PRESSAVG: 1479200 22.5204 -23.3061 12.9016 -23.306 4.20304 34.2086 12.9016 34.2086 -8.04624 GPRESSAVG: 1479200 21.1917 -21.0741 11.5635 -24.9997 5.83165 34.8083 13.7942 34.6809 -8.4179 TIMING: 1479200 CPU: 4288.33, 0.00290771/step Wall: 4288.33, 0.00290771/step, 2.84374 hours remaining, 210.625000 MB of memory in use. ENERGY: 1479200 740.1832 2084.1168 1906.6810 120.8615 -205798.0849 17620.2008 0.0000 0.0000 34131.3198 -149194.7217 298.0773 -183326.0415 -149100.7460 299.7201 16.3895 48.6119 557812.4814 6.2257 6.2018 PRESSURE: 1479400 -121.984 -53.4322 -148.301 -53.4327 -43.6381 24.3493 -148.302 24.35 -52.867 GPRESSURE: 1479400 -107.303 -87.1908 -61.6622 -20.1387 -17.8719 -33.6771 -163.671 89.3885 14.8329 PRESSAVG: 1479400 -34.7388 -26.0242 -52.372 -26.0243 -28.3383 -1.46444 -52.3721 -1.46431 14.0632 GPRESSAVG: 1479400 -33.6869 -26.107 -49.3343 -25.947 -29.3492 0.172694 -53.7309 -3.2026 14.1324 TIMING: 1479400 CPU: 4288.91, 0.00291042/step Wall: 4288.91, 0.00291042/step, 2.84623 hours remaining, 210.625000 MB of memory in use. ENERGY: 1479400 784.4910 2049.9582 1929.8121 122.8380 -205639.4690 17590.0865 0.0000 0.0000 34017.2383 -149145.0448 297.0810 -183162.2832 -149041.3131 298.7072 -72.8296 -36.7805 558090.9149 -16.3380 -16.3013 PRESSURE: 1479600 -93.2221 167.095 30.1011 167.094 -93.6856 -173.498 30.101 -173.498 -390.704 GPRESSURE: 1479600 -23.7931 320.778 68.2395 102.347 -90.5437 -235.822 35.8721 -185.03 -357.929 PRESSAVG: 1479600 -32.8559 -29.8308 -41.7444 -29.8309 63.7698 -14.6236 -41.7445 -14.6236 -16.1384 GPRESSAVG: 1479600 -33.4354 -30.3246 -42.4659 -30.4503 63.8961 -16.5146 -40.3067 -13.6224 -15.8038 TIMING: 1479600 CPU: 4289.5, 0.00291441/step Wall: 4289.5, 0.00291441/step, 2.84997 hours remaining, 210.625000 MB of memory in use. ENERGY: 1479600 761.8786 2066.6366 1943.6964 116.2009 -205677.5378 17465.9559 0.0000 0.0000 34138.0756 -149185.0938 298.1363 -183323.1694 -149090.7814 298.8012 -192.5371 -157.4220 558653.5368 4.9252 4.8856 PRESSURE: 1479800 -72.6839 -11.5344 -85.4753 -11.5333 -116.38 9.89196 -85.476 9.89274 175.126 GPRESSURE: 1479800 -24.4078 27.8884 -134.113 35.7706 -73.6361 8.11926 -59.2479 42.9394 191.635 PRESSAVG: 1479800 -54.5056 29.4113 -3.7526 29.4111 30.7463 -34.0968 -3.75262 -34.0968 6.95003 GPRESSAVG: 1479800 -54.689 29.0175 -2.63907 30.5241 30.2966 -35.0602 -5.53273 -33.7731 6.60228 TIMING: 1479800 CPU: 4290.07, 0.00286808/step Wall: 4290.07, 0.00286808/step, 2.8045 hours remaining, 210.625000 MB of memory in use. ENERGY: 1479800 775.7812 2101.7918 1935.5849 110.2553 -206568.8486 18210.1982 0.0000 0.0000 34150.7194 -149284.5179 298.2467 -183435.2373 -149196.1011 299.1893 -4.6461 31.1972 558807.6463 -5.6031 -5.9300 PRESSURE: 1480000 -177.327 89.643 -84.707 89.6433 329.289 147.929 -84.7063 147.928 -162.277 GPRESSURE: 1480000 -129.86 55.1343 -69.1061 47.3415 303.236 169.396 -102.31 156.205 -81.7268 PRESSAVG: 1480000 -51.7182 -9.29989 -70.3897 -9.29999 70.4304 -10.0415 -70.3897 -10.0414 -4.73821 GPRESSAVG: 1480000 -51.3827 -9.7201 -72.0473 -9.35276 70.6871 -9.95577 -69.2937 -9.27389 -4.64899 TIMING: 1480000 CPU: 4290.65, 0.00288188/step Wall: 4290.65, 0.00288188/step, 2.81784 hours remaining, 210.625000 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: 1480000 787.2010 2048.4288 1940.4508 118.6879 -206370.2871 18104.5639 0.0000 0.0000 34073.6634 -149297.2912 297.5738 -183370.9546 -149208.0258 299.4144 -3.4382 30.5497 559442.0109 4.6580 4.8851 PRESSURE: 1480200 2.78343 159.431 -67.2191 159.432 -182.304 152.85 -67.2207 152.85 -202.861 GPRESSURE: 1480200 -14.1358 135.51 -109.683 98.7564 -161.365 140.502 -127.383 112.217 -119.005 PRESSAVG: 1480200 -29.1419 -47.6683 -30.0595 -47.6683 64.3361 -2.88552 -30.0595 -2.8855 22.3979 GPRESSAVG: 1480200 -28.5605 -48.4644 -30.4431 -46.6232 63.881 -3.1432 -29.6312 -3.54801 22.9143 TIMING: 1480200 CPU: 4291.23, 0.00290766/step Wall: 4291.23, 0.00290766/step, 2.84288 hours remaining, 210.625000 MB of memory in use. ENERGY: 1480200 774.0067 2099.6888 1890.7175 118.1795 -206084.0667 17638.3073 0.0000 0.0000 34355.0525 -149208.1143 300.0312 -183563.1668 -149109.7302 298.8644 -127.4603 -98.1686 557698.9976 19.1974 19.4116 LDB: ============= START OF LOAD BALANCING ============== 4294.61 LDB: ============== END OF LOAD BALANCING =============== 4294.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4294.61 LDB: ============= START OF LOAD BALANCING ============== 4294.9 LDB: Largest compute 4794 load 0.020894 is 17.7% of average load 0.117949 LDB: Average compute 0.001708 is 1.4% of average load 0.117949 LDB: TIME 4294.9 LOAD: AVG 0.117949 MAX 0.183785 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 4294.91 LOAD: AVG 0.117949 MAX 0.183785 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: TIME 4294.91 LOAD: AVG 0.117949 MAX 0.183785 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: ============== END OF LOAD BALANCING =============== 4294.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4294.91 PRESSURE: 1480400 79.225 -100.591 -13.5743 -100.589 134.931 -89.9463 -13.5745 -89.9468 -165.449 GPRESSURE: 1480400 105.801 -39.3272 25.2244 -209.533 188.025 -171.252 -122.966 -27.094 -147.656 PRESSAVG: 1480400 -94.0985 -17.8492 -72.9965 -17.8491 49.4953 21.2181 -72.9965 21.218 34.605 GPRESSAVG: 1480400 -95.1039 -15.9374 -70.4584 -18.2652 49.9645 20.7395 -74.7711 21.9633 35.185 TIMING: 1480400 CPU: 4291.82, 0.00293304/step Wall: 4291.82, 0.00293304/step, 2.86754 hours remaining, 209.382812 MB of memory in use. ENERGY: 1480400 772.2969 2051.9966 1933.0167 115.2008 -206269.5705 17951.0848 0.0000 0.0000 34178.5127 -149267.4621 298.4895 -183445.9748 -149172.4809 299.5863 16.2354 48.7232 556683.1104 -3.3327 -3.3181 PRESSURE: 1480600 -95.4489 56.4429 -165.235 56.4439 19.8138 180.559 -165.236 180.559 3.70294 GPRESSURE: 1480600 -143.364 -12.9317 -65.1022 51.7752 97.2087 149.175 -128.157 199.053 81.4308 PRESSAVG: 1480600 -28.8413 -27.4839 28.7369 -27.4838 35.064 37.9054 28.7369 37.9055 1.49191 GPRESSAVG: 1480600 -28.4547 -29.6269 26.5661 -27.393 35.1842 38.1357 30.5305 36.6296 0.722409 TIMING: 1480600 CPU: 4292.4, 0.00289988/step Wall: 4292.4, 0.00289988/step, 2.83496 hours remaining, 209.582031 MB of memory in use. ENERGY: 1480600 762.4318 2077.4290 1932.6825 103.4721 -205963.4792 17588.0567 0.0000 0.0000 34214.6761 -149284.7311 298.8053 -183499.4072 -149193.5077 299.2403 -23.9774 11.7584 557405.6797 2.5716 2.4840 PRESSURE: 1480800 1.39599 83.3084 -93.3194 83.3068 88.9004 -10.3132 -93.3189 -10.3121 -26.5408 GPRESSURE: 1480800 70.9838 118.952 -77.3419 80.0185 51.1309 49.1333 -104.932 -87.1204 27.5044 PRESSAVG: 1480800 -2.97566 27.76 19.4664 27.76 35.6251 55.4386 19.4663 55.4386 -6.74785 GPRESSAVG: 1480800 -2.89959 28.8572 21.5259 26.6316 36.0046 55.672 18.371 55.7771 -6.96575 TIMING: 1480800 CPU: 4292.98, 0.00289745/step Wall: 4292.98, 0.00289745/step, 2.83242 hours remaining, 209.582031 MB of memory in use. ENERGY: 1480800 775.7241 2043.8711 1909.4789 123.1516 -205919.6739 17654.6393 0.0000 0.0000 34253.4531 -149159.3558 299.1439 -183412.8089 -149063.2779 299.5137 21.2519 49.8730 556205.8340 8.6339 8.7131 PRESSURE: 1481000 213.45 -129.542 55.3227 -129.543 162.923 46.1123 55.3222 46.1124 118.595 GPRESSURE: 1481000 248.132 -258.625 133.66 -159.176 216.704 47.3891 46.4346 36.4906 140.111 PRESSAVG: 1481000 26.1853 13.011 25.1837 13.011 2.53621 21.5937 25.1836 21.5937 -19.2121 GPRESSAVG: 1481000 25.8846 11.6381 23.4744 13.6679 2.15629 22.1851 26.1925 23.4555 -18.6359 TIMING: 1481000 CPU: 4293.55, 0.00289485/step Wall: 4293.55, 0.00289485/step, 2.82972 hours remaining, 209.582031 MB of memory in use. ENERGY: 1481000 709.5444 2086.4635 1892.8334 105.5622 -206179.5160 18044.4993 0.0000 0.0000 34356.7615 -148983.8516 300.0461 -183340.6131 -148887.6438 300.2095 164.9892 201.6490 556940.8866 3.1698 3.1350 PRESSURE: 1481200 -105.094 35.012 -111.429 35.0114 -269.263 12.009 -111.43 12.0088 -227.657 GPRESSURE: 1481200 -100.147 21.8314 -105.048 7.471 -187.305 -51.319 -82.1637 101.867 -201.684 PRESSAVG: 1481200 53.4903 -1.79967 -16.8812 -1.79969 -48.441 69.3632 -16.8812 69.3632 7.25936 GPRESSAVG: 1481200 53.8659 1.28953 -15.7468 -2.98887 -48.4477 69.5913 -17.4489 69.4801 7.3916 TIMING: 1481200 CPU: 4294.14, 0.00290976/step Wall: 4294.14, 0.00290976/step, 2.84413 hours remaining, 209.582031 MB of memory in use. ENERGY: 1481200 794.2480 2095.7049 1910.3371 114.7666 -205893.2423 17690.5879 0.0000 0.0000 34251.1083 -149036.4896 299.1234 -183287.5979 -148938.5283 299.9876 -200.6713 -163.0452 557777.1917 4.1029 4.2699 PRESSURE: 1481400 -21.025 92.115 44.3093 92.1144 58.7597 56.6296 44.3084 56.6291 -247.804 GPRESSURE: 1481400 60.306 42.3764 -21.1417 83.5108 101.385 69.2974 29.6311 93.1838 -289.698 PRESSAVG: 1481400 -18.2384 13.1612 -3.89475 13.1612 43.193 1.85449 -3.89474 1.85448 -33.128 GPRESSAVG: 1481400 -18.6105 11.4631 -5.03698 14.0496 44.1369 0.319272 -3.98373 1.78772 -33.5884 TIMING: 1481400 CPU: 4294.72, 0.00290844/step Wall: 4294.72, 0.00290844/step, 2.84268 hours remaining, 209.582031 MB of memory in use. ENERGY: 1481400 750.5142 2086.3271 1889.6090 117.6413 -205942.1853 17562.6499 0.0000 0.0000 34360.5743 -149174.8696 300.0794 -183535.4439 -149074.3678 299.7459 -70.0231 -42.6690 558935.5521 -2.7244 -2.6874 PRESSURE: 1481600 47.4852 -31.4078 -127.948 -31.4074 151.128 -22.3872 -127.947 -22.3869 17.0693 GPRESSURE: 1481600 128.206 -16.4736 -53.5721 15.1868 220.091 -9.77361 -95.9016 -76.4403 -27.2169 PRESSAVG: 1481600 47.7384 -13.7735 74.664 -13.7735 11.2426 -15.6202 74.6638 -15.6202 -57.8981 GPRESSAVG: 1481600 48.6594 -13.1726 73.5256 -14.6141 10.7218 -14.0481 73.7584 -18.6213 -58.2495 TIMING: 1481600 CPU: 4295.3, 0.00292151/step Wall: 4295.3, 0.00292151/step, 2.85529 hours remaining, 209.582031 MB of memory in use. ENERGY: 1481600 764.4942 2131.7204 1911.4853 106.0326 -206205.1329 17960.4424 0.0000 0.0000 34124.4485 -149206.5095 298.0173 -183330.9580 -149108.2722 298.9506 71.8940 107.0270 557527.4598 0.3609 0.3772 PRESSURE: 1481800 118.473 84.1941 -78.2243 84.193 61.5162 117.724 -78.2244 117.723 24.3116 GPRESSURE: 1481800 138.802 -30.5068 26.6917 148.533 48.0928 147.787 -80.6032 165.925 101.492 PRESSAVG: 1481800 6.00961 -11.6282 22.9546 -11.6282 1.72023 26.8262 22.9547 26.8262 -37.7558 GPRESSAVG: 1481800 5.2867 -12.2076 27.3036 -10.191 0.949523 26.7018 21.2009 26.9876 -36.2007 TIMING: 1481800 CPU: 4295.89, 0.00293458/step Wall: 4295.89, 0.00293458/step, 2.8679 hours remaining, 209.582031 MB of memory in use. ENERGY: 1481800 767.5378 2132.2089 1925.8202 115.4147 -206316.7423 18105.8033 0.0000 0.0000 34065.5929 -149204.3646 297.5033 -183269.9575 -149106.1193 299.4767 68.1002 96.1292 557479.5895 -10.0086 -9.9881 PRESSURE: 1482000 -33.1447 -3.35891 -37.7481 -3.35847 -2.4056 -127.485 -37.7484 -127.487 -94.9217 GPRESSURE: 1482000 -54.599 -25.6974 51.7461 46.7004 40.6007 -68.432 -80.7628 -148.826 -13.9833 PRESSAVG: 1482000 -23.3406 -26.3499 58.2223 -26.3499 50.5218 6.56536 58.2223 6.56533 -49.2931 GPRESSAVG: 1482000 -24.4965 -24.6008 56.9315 -27.5398 50.5955 6.64708 59.653 8.38258 -49.2334 TIMING: 1482000 CPU: 4296.47, 0.00291361/step Wall: 4296.47, 0.00291361/step, 2.84724 hours remaining, 209.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1482000 728.9197 2085.1586 1929.7690 111.2480 -206275.5364 17901.2971 0.0000 0.0000 34466.3058 -149052.8382 301.0028 -183519.1440 -148960.0374 299.7626 -43.4907 -9.3272 558037.7805 -7.3706 -7.7115 PRESSURE: 1482200 -117.997 -57.2525 -30.0832 -57.252 -283.883 43.9789 -30.0858 43.9794 77.2256 GPRESSURE: 1482200 -52.9228 -44.6897 62.3799 -99.7464 -287.965 5.36498 -142.209 71.769 106.699 PRESSAVG: 1482200 -2.57907 -25.6754 -5.31067 -25.6754 -10.1236 -12.5369 -5.31066 -12.5369 -7.44862 GPRESSAVG: 1482200 -1.56791 -27.1088 -6.2674 -23.0741 -10.166 -12.3081 -6.3858 -13.0188 -8.78222 TIMING: 1482200 CPU: 4297.05, 0.00291414/step Wall: 4297.05, 0.00291414/step, 2.8476 hours remaining, 209.582031 MB of memory in use. ENERGY: 1482200 768.5140 2120.3248 1889.9945 117.6761 -205885.0907 17555.4947 0.0000 0.0000 34220.3707 -149212.7159 298.8550 -183433.0866 -149115.5636 299.4269 -108.2179 -78.0631 558362.5554 -6.7171 -6.8387 PRESSURE: 1482400 110.903 -122.737 77.6808 -122.736 188.268 -103.802 77.6826 -103.805 81.3334 GPRESSURE: 1482400 130.496 -116.375 116.474 -187.086 196.111 -59.1037 84.0857 -89.6698 152.09 PRESSAVG: 1482400 -8.3333 -10.2388 26.1115 -10.2388 -20.0561 19.9694 26.1115 19.9693 70.3479 GPRESSAVG: 1482400 -8.26203 -10.2599 26.4679 -10.5142 -19.7242 18.6021 28.139 19.8628 70.4967 TIMING: 1482400 CPU: 4297.63, 0.0028888/step Wall: 4297.63, 0.0028888/step, 2.82268 hours remaining, 209.582031 MB of memory in use. ENERGY: 1482400 772.7988 2081.5630 1904.1226 137.6128 -206247.5427 17989.3546 0.0000 0.0000 34282.6798 -149079.4110 299.3992 -183362.0909 -148983.0081 299.5796 126.8345 159.5660 557106.7419 13.9862 14.1702 PRESSURE: 1482600 -19.5176 -49.1663 -46.0298 -49.1661 -313.308 33.4581 -46.0292 33.4593 203.192 GPRESSURE: 1482600 3.92651 -24.0981 -0.593453 -104.711 -220.539 17.1314 -85.2445 -2.62543 189.212 PRESSAVG: 1482600 -78.6432 57.7461 7.9106 57.7462 -91.9759 -6.68216 7.91059 -6.68208 131.179 GPRESSAVG: 1482600 -78.6019 58.0093 10.5907 56.724 -92.6913 -5.91328 4.23011 -7.53564 131.588 TIMING: 1482600 CPU: 4298.21, 0.00288188/step Wall: 4298.21, 0.00288188/step, 2.81576 hours remaining, 209.582031 MB of memory in use. ENERGY: 1482600 769.6457 2078.9789 1918.8181 105.9457 -206165.0679 17824.1777 0.0000 0.0000 34418.0049 -149049.4967 300.5810 -183467.5016 -148944.9177 300.1165 -43.2113 -9.1334 557787.2236 -13.1468 -13.2350 PRESSURE: 1482800 116.906 32.5504 -6.41326 32.55 -321.882 -148.61 -6.41325 -148.61 -278.701 GPRESSURE: 1482800 148.43 9.78062 -54.9214 24.1516 -271.088 -127.535 -20.5413 -122.331 -264.897 PRESSAVG: 1482800 -32.233 -29.9184 9.06316 -29.9184 -23.8847 -32.6864 9.06317 -32.6865 25.1926 GPRESSAVG: 1482800 -32.4744 -30.4204 7.35805 -28.0234 -22.9412 -32.3899 12.0822 -31.4848 23.6559 TIMING: 1482800 CPU: 4298.79, 0.0028924/step Wall: 4298.79, 0.0028924/step, 2.82587 hours remaining, 209.582031 MB of memory in use. ENERGY: 1482800 751.5192 2087.4101 1907.6295 116.8555 -205786.5095 17543.1343 0.0000 0.0000 34364.2861 -149015.6747 300.1119 -183379.9609 -148924.3447 299.9400 -161.2256 -129.1853 557739.8268 -10.3084 -10.5865 PRESSURE: 1483000 -29.0381 25.3125 36.168 25.3115 90.7558 -62.0609 36.1685 -62.0607 -68.9281 GPRESSURE: 1483000 -31.8482 -38.5855 25.5763 57.0327 166.643 26.6378 35.1843 -69.1728 -41.4197 PRESSAVG: 1483000 28.0882 48.224 -2.35127 48.2239 -10.8888 12.5975 -2.35115 12.5974 -6.02052 GPRESSAVG: 1483000 28.133 49.1396 -1.30927 45.4245 -11.5488 15.0013 -3.52786 11.4796 -4.69343 TIMING: 1483000 CPU: 4299.37, 0.00290096/step Wall: 4299.37, 0.00290096/step, 2.83408 hours remaining, 209.582031 MB of memory in use. ENERGY: 1483000 755.8488 2109.3116 1930.6328 118.5048 -206066.8000 17892.3059 0.0000 0.0000 34331.5365 -148928.6596 299.8258 -183260.1961 -148830.9774 300.2108 -2.4035 31.1250 559764.8553 3.7263 3.9636 PRESSURE: 1483200 81.9655 -63.2776 146.756 -63.2771 -29.9711 -96.2329 146.757 -96.2335 170.786 GPRESSURE: 1483200 155.113 0.0860441 139.737 -11.8139 -4.68589 -137.321 108.525 -79.8804 179.89 PRESSAVG: 1483200 61.7292 -24.5286 34.1004 -24.5286 -37.6754 -64.5154 34.1003 -64.5154 30.2433 GPRESSAVG: 1483200 63.1256 -26.071 31.3195 -22.6451 -38.3127 -66.8344 33.7845 -62.5564 29.0208 TIMING: 1483200 CPU: 4299.95, 0.00292241/step Wall: 4299.95, 0.00292241/step, 2.85487 hours remaining, 209.582031 MB of memory in use. ENERGY: 1483200 743.4617 2127.9829 1928.1316 116.9165 -206311.9627 18054.2921 0.0000 0.0000 34301.0367 -149040.1412 299.5595 -183341.1779 -148937.4709 300.1225 74.2601 110.1058 558489.7348 18.0991 17.9446 PRESSURE: 1483400 -154.147 18.7187 -19.7196 18.7184 -388.533 -14.9446 -19.7193 -14.9444 -323.089 GPRESSURE: 1483400 -150.245 89.7963 2.44886 -62.3844 -346.695 -107.033 36.8476 -44.157 -284.804 PRESSAVG: 1483400 25.9097 -18.4463 -55.7852 -18.4462 -13.0556 -31.0974 -55.7851 -31.0973 -4.5797 GPRESSAVG: 1483400 24.723 -18.8955 -53.7797 -17.4484 -13.4691 -31.3491 -55.716 -31.0464 -3.15986 TIMING: 1483400 CPU: 4300.53, 0.00291208/step Wall: 4300.53, 0.00291208/step, 2.84462 hours remaining, 209.582031 MB of memory in use. ENERGY: 1483400 774.1579 2061.5292 1934.1192 119.0323 -205650.2417 17408.7294 0.0000 0.0000 34282.5692 -149070.1046 299.3982 -183352.6738 -148971.1261 300.2487 -288.5898 -260.5812 559514.2998 2.7581 2.6980 PRESSURE: 1483600 -329.489 -50.3706 103.986 -50.3697 -190.789 -5.23589 103.985 -5.23669 62.568 GPRESSURE: 1483600 -254.296 16.8794 120.354 -81.7171 -173.06 -40.9133 114.878 28.1667 80.6048 PRESSAVG: 1483600 8.10421 -25.7098 80.1492 -25.7098 16.2994 -42.2387 80.1492 -42.2387 -39.7924 GPRESSAVG: 1483600 8.6466 -24.7282 77.7755 -26.776 15.5788 -40.3483 80.4073 -42.8551 -40.2344 TIMING: 1483600 CPU: 4301.11, 0.0029034/step Wall: 4301.11, 0.0029034/step, 2.83598 hours remaining, 209.582031 MB of memory in use. ENERGY: 1483600 769.9741 2043.9219 1922.7602 118.2505 -206463.2162 17891.7183 0.0000 0.0000 34326.9345 -149389.6567 299.7857 -183716.5912 -149289.3183 299.4022 -152.5701 -115.5838 558164.3530 -5.1296 -5.3363 PRESSURE: 1483800 -77.91 117.427 55.786 117.426 -208.391 -58.8742 55.7863 -58.875 -211.018 GPRESSURE: 1483800 -78.3126 210.932 120.033 -23.0838 -131.147 -87.4037 19.3083 -20.3595 -193.471 PRESSAVG: 1483800 42.9358 -45.4231 -14.1657 -45.4231 -36.0854 -66.3892 -14.1657 -66.3892 31.5325 GPRESSAVG: 1483800 42.4153 -44.8212 -12.3774 -46.4078 -35.9049 -66.1265 -14.3165 -67.6038 31.5226 TIMING: 1483800 CPU: 4301.69, 0.00288446/step Wall: 4301.69, 0.00288446/step, 2.81732 hours remaining, 209.582031 MB of memory in use. ENERGY: 1483800 737.8615 2049.8483 1943.4520 116.2618 -206189.8754 17563.2166 0.0000 0.0000 34276.8235 -149502.4117 299.3480 -183779.2351 -149419.2215 299.0060 -165.7728 -134.3101 557612.1564 12.7943 12.6777 PRESSURE: 1484000 23.3553 118.114 -17.9222 118.113 -116.493 21.3654 -17.9219 21.367 46.6021 GPRESSURE: 1484000 13.3552 106.154 20.0755 123.228 -68.2631 64.1539 17.3058 -68.2263 100.652 PRESSAVG: 1484000 -57.0501 18.7867 3.67612 18.7866 82.3521 -47.7772 3.67619 -47.7772 -63.7838 GPRESSAVG: 1484000 -58.3546 18.0387 4.9511 20.13 83.7351 -47.3643 2.12807 -47.138 -63.64 TIMING: 1484000 CPU: 4302.27, 0.00288356/step Wall: 4302.27, 0.00288356/step, 2.81628 hours remaining, 209.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1484000 720.9540 2038.0738 1936.7717 116.6801 -206107.1715 17587.5502 0.0000 0.0000 34204.6201 -149502.5215 298.7175 -183707.1417 -149401.9089 298.1717 -15.5119 15.2481 556391.5961 -12.8273 -12.7532 PRESSURE: 1484200 264.935 31.9589 201.903 31.9582 -151.745 -20.9859 201.903 -20.9857 222.501 GPRESSURE: 1484200 256.01 58.526 156.119 26.0179 -68.2962 -40.9838 284.246 -63.4663 224.468 PRESSAVG: 1484200 -57.7004 -9.77823 39.3177 -9.77816 -3.1835 -51.9966 39.3177 -51.9966 29.0082 GPRESSAVG: 1484200 -57.133 -8.63691 38.055 -9.85793 -4.50817 -54.24 40.4927 -51.5606 30.1895 TIMING: 1484200 CPU: 4302.85, 0.00288931/step Wall: 4302.85, 0.00288931/step, 2.82173 hours remaining, 209.582031 MB of memory in use. ENERGY: 1484200 726.6669 2045.5507 1929.7238 116.2839 -206619.8319 18022.3645 0.0000 0.0000 34239.2360 -149540.0063 299.0198 -183779.2422 -149442.3871 298.8886 111.8969 137.3940 555681.5050 -10.6252 -10.4839 LDB: ============= START OF LOAD BALANCING ============== 4306.23 LDB: ============== END OF LOAD BALANCING =============== 4306.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4306.24 LDB: ============= START OF LOAD BALANCING ============== 4306.53 LDB: Largest compute 4794 load 0.022082 is 18.7% of average load 0.117963 LDB: Average compute 0.001712 is 1.5% of average load 0.117963 LDB: TIME 4306.53 LOAD: AVG 0.117963 MAX 0.182798 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.629 MB LDB: TIME 4306.53 LOAD: AVG 0.117963 MAX 0.182798 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 4306.53 LOAD: AVG 0.117963 MAX 0.182798 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4306.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4306.53 PRESSURE: 1484400 -73.8931 15.2026 -147.453 15.2026 81.2259 -57.6561 -147.451 -57.6578 -19.5383 GPRESSURE: 1484400 -79.2578 -27.3386 -93.1263 74.2549 158.058 -60.4761 -136.081 -25.5999 -9.79757 PRESSAVG: 1484400 -7.0367 -12.7844 -3.26912 -12.7844 19.0524 -10.6084 -3.26907 -10.6084 -26.1211 GPRESSAVG: 1484400 -6.43555 -15.4182 -4.41646 -12.4827 19.0791 -10.3754 -1.91738 -9.14326 -26.6402 TIMING: 1484400 CPU: 4303.44, 0.00296224/step Wall: 4303.44, 0.00296224/step, 2.8928 hours remaining, 207.902344 MB of memory in use. ENERGY: 1484400 746.4634 2117.2035 1896.5673 112.0326 -206267.9125 17852.4551 0.0000 0.0000 33937.3795 -149605.8110 296.3836 -183543.1905 -149505.8197 297.9753 -4.0685 23.0008 557021.6726 -4.7018 -4.6655 PRESSURE: 1484600 -86.0283 -51.3195 -6.30881 -51.3203 -142.401 -31.4719 -6.30748 -31.4733 83.207 GPRESSURE: 1484600 -61.5392 -33.2244 -31.9251 -155.477 -117.929 -56.8785 77.4788 32.8837 140.591 PRESSAVG: 1484600 5.76923 -66.6162 -23.4304 -66.6163 60.8786 -46.5784 -23.4303 -46.5784 -19.6118 GPRESSAVG: 1484600 7.24585 -62.3906 -22.3805 -68.3512 59.9602 -46.9695 -23.1268 -46.517 -19.7681 TIMING: 1484600 CPU: 4304.02, 0.00289793/step Wall: 4304.02, 0.00289793/step, 2.82983 hours remaining, 207.902344 MB of memory in use. ENERGY: 1484600 754.3906 2073.7931 1924.9297 113.5844 -206751.5558 17997.5238 0.0000 0.0000 34232.6923 -149654.6420 298.9626 -183887.3343 -149560.4234 298.5085 -48.4075 -12.9591 556114.8482 15.6787 15.8126 PRESSURE: 1484800 134.966 -46.3892 -72.8792 -46.3892 -21.7873 -222.974 -72.8784 -222.975 31.42 GPRESSURE: 1484800 151.42 10.9476 -23.2528 -194.511 27.8543 -209.626 -77.8045 -228.967 62.1226 PRESSAVG: 1484800 -3.46969 -8.1112 40.1284 -8.11115 48.5353 5.91065 40.1284 5.91082 -40.4055 GPRESSAVG: 1484800 -5.35627 -9.45298 39.7642 -7.00105 49.5448 6.17422 39.0953 4.99047 -39.4474 TIMING: 1484800 CPU: 4304.59, 0.00288066/step Wall: 4304.59, 0.00288066/step, 2.8128 hours remaining, 207.902344 MB of memory in use. ENERGY: 1484800 751.6332 2050.3649 1936.9474 115.4267 -206911.7694 18079.3685 0.0000 0.0000 34479.4373 -149498.5913 301.1175 -183978.0286 -149394.2036 298.1139 48.1997 80.4657 556378.6442 1.5534 1.5804 PRESSURE: 1485000 153.608 78.3909 -20.4956 78.3914 32.9721 -111.152 -20.495 -111.152 7.63667 GPRESSURE: 1485000 157.778 77.4391 -66.5145 61.1494 90.596 -104.253 25.6464 -77.8173 47.3077 PRESSAVG: 1485000 8.62295 -30.0298 8.71598 -30.0299 14.3656 -29.1713 8.71609 -29.1715 -25.8732 GPRESSAVG: 1485000 10.1589 -31.7255 9.08801 -30.1072 14.3112 -28.8052 7.47928 -28.3667 -27.6817 TIMING: 1485000 CPU: 4305.17, 0.0028726/step Wall: 4305.17, 0.0028726/step, 2.80477 hours remaining, 208.199219 MB of memory in use. ENERGY: 1485000 716.4077 2053.8072 1941.1504 115.2465 -206324.9394 17906.6384 0.0000 0.0000 34025.9881 -149565.7011 297.1574 -183591.6891 -149471.8447 298.6901 64.7389 98.5606 556687.4057 -0.9615 -1.0705 PRESSURE: 1485200 -85.1598 -5.76582 62.9641 -5.76518 -407.756 -110.798 62.9655 -110.799 35.7038 GPRESSURE: 1485200 -87.6136 -11.1561 -25.8506 -14.3013 -313.685 -112.177 182.051 -98.8708 34.7751 PRESSAVG: 1485200 -21.7008 -7.4625 8.60481 -7.46256 -48.1915 -25.5956 8.60477 -25.5957 16.755 GPRESSAVG: 1485200 -22.7815 -8.43225 8.5327 -4.71498 -47.3083 -26.8843 9.63907 -25.0263 16.5555 TIMING: 1485200 CPU: 4305.75, 0.00288887/step Wall: 4305.75, 0.00288887/step, 2.8205 hours remaining, 208.199219 MB of memory in use. ENERGY: 1485200 778.0842 2080.1623 1926.6466 109.2848 -206357.9104 17768.3891 0.0000 0.0000 34092.1880 -149603.1555 297.7356 -183695.3435 -149504.8721 298.0266 -152.4041 -122.1744 556959.6446 -17.7124 -17.8448 PRESSURE: 1485400 74.7969 -126.056 -60.6003 -126.055 -193.707 -24.6036 -60.6019 -24.6043 -170.14 GPRESSURE: 1485400 108 -51.9618 -144.899 -110.515 -163.201 -39.3831 -35.0492 -8.10055 -127.232 PRESSAVG: 1485400 58.2044 -24.5915 -10.9489 -24.5915 -33.2045 -15.151 -10.949 -15.151 12.2092 GPRESSAVG: 1485400 57.8292 -22.6025 -10.7359 -26.4883 -33.5768 -12.6289 -11.8047 -17.8693 13.2036 TIMING: 1485400 CPU: 4306.32, 0.00288465/step Wall: 4306.32, 0.00288465/step, 2.81622 hours remaining, 208.199219 MB of memory in use. ENERGY: 1485400 716.2890 2016.7930 1962.4520 117.9980 -206262.5541 17756.9619 0.0000 0.0000 34219.7092 -149472.3510 298.8492 -183692.0602 -149368.9033 298.5466 -96.3502 -60.8110 557242.5179 12.4030 12.4853 PRESSURE: 1485600 -25.4022 -1.96563 66.6853 -1.96635 -156.502 -174.588 66.6865 -174.588 87.1498 GPRESSURE: 1485600 -32.7992 -160.895 182.22 59.0131 -80.4725 -167.217 25.6848 -51.1172 108.777 PRESSAVG: 1485600 11.0415 11.5114 -28.1174 11.5115 13.839 -32.6072 -28.1173 -32.6073 -1.35271 GPRESSAVG: 1485600 10.9508 10.4101 -27.3205 12.157 13.8965 -33.2985 -27.5456 -30.9796 -1.93965 TIMING: 1485600 CPU: 4306.9, 0.00288959/step Wall: 4306.9, 0.00288959/step, 2.82089 hours remaining, 208.199219 MB of memory in use. ENERGY: 1485600 707.7895 2110.2142 1954.0494 111.4191 -206090.8800 17619.3928 0.0000 0.0000 34128.0966 -149459.9185 298.0492 -183588.0151 -149361.4146 298.9112 -31.5847 -1.4984 557862.0189 7.8426 7.6359 PRESSURE: 1485800 99.167 -9.19981 -27.9697 -9.20049 317.555 2.74516 -27.9698 2.74481 87.8869 GPRESSURE: 1485800 121.129 -7.1779 92.6668 -87.5453 392.958 64.4058 -106.201 -38.6395 93.665 PRESSAVG: 1485800 -18.038 6.64111 -8.66052 6.64111 21.8542 29.253 -8.66055 29.253 23.7417 GPRESSAVG: 1485800 -17.9689 6.55574 -10.9407 5.58008 21.7813 28.2578 -7.42687 28.109 23.3783 TIMING: 1485800 CPU: 4307.48, 0.00290144/step Wall: 4307.48, 0.00290144/step, 2.83228 hours remaining, 208.199219 MB of memory in use. ENERGY: 1485800 707.9631 2079.8104 1933.9136 116.0129 -206477.6062 17976.5498 0.0000 0.0000 34042.1893 -149621.1671 297.2989 -183663.3564 -149529.3692 298.3702 168.2030 202.5839 555495.1818 9.1860 9.0636 PRESSURE: 1486000 -94.9364 12.0711 50.0389 12.0708 251.628 -146.746 50.0382 -146.746 -480.954 GPRESSURE: 1486000 -89.218 61.9177 -31.7768 30.7914 293.649 -149.811 110.548 -120.95 -427.016 PRESSAVG: 1486000 -5.53121 52.1729 -49.2183 52.1729 13.263 -21.6764 -49.2183 -21.6763 26.4265 GPRESSAVG: 1486000 -6.02239 52.4362 -48.5335 51.9568 14.1002 -21.5012 -51.2255 -21.4082 26.3555 TIMING: 1486000 CPU: 4308.06, 0.00288752/step Wall: 4308.06, 0.00288752/step, 2.81854 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1486000 746.8855 2073.2789 1909.7939 128.1776 -206273.4263 17756.0868 0.0000 0.0000 34258.7783 -149400.4254 299.1904 -183659.2037 -149307.4969 298.7677 -108.0875 -74.1952 557476.5248 11.3861 11.4777 PRESSURE: 1486200 -156.217 164.812 94.5857 164.812 -18.2683 -57.8065 94.5876 -57.8054 234.351 GPRESSURE: 1486200 -99.5193 227.335 46.5741 133.521 3.37655 -66.3408 137.798 -14.8729 245.056 PRESSAVG: 1486200 -22.7892 68.5349 19.6691 68.5348 96.8339 -39.2558 19.6691 -39.2558 -59.2161 GPRESSAVG: 1486200 -20.9146 70.7835 20.6203 67.2349 95.5772 -38.48 21.7061 -41.0346 -59.8769 TIMING: 1486200 CPU: 4308.64, 0.00289472/step Wall: 4308.64, 0.00289472/step, 2.82541 hours remaining, 208.199219 MB of memory in use. ENERGY: 1486200 764.0266 2121.6290 1904.8521 118.8520 -206420.1701 17945.4905 0.0000 0.0000 34171.5585 -149393.7614 298.4287 -183565.3199 -149298.7370 298.8653 19.9552 49.6377 557088.7173 4.9429 4.9286 PRESSURE: 1486400 136.113 -94.5967 53.1273 -94.597 37.9305 70.9744 53.1254 70.9744 -38.5105 GPRESSURE: 1486400 203.393 -122.68 112.944 0.867212 75.9761 181.47 -44.6882 64.2952 -26.0079 PRESSAVG: 1486400 -25.779 23.1303 44.2429 23.1304 42.1247 4.11752 44.2428 4.11747 14.7288 GPRESSAVG: 1486400 -26.973 20.8062 43.1304 27.7973 42.4587 3.17211 44.6772 6.26044 16.4548 TIMING: 1486400 CPU: 4309.22, 0.0028878/step Wall: 4309.22, 0.0028878/step, 2.81849 hours remaining, 208.199219 MB of memory in use. ENERGY: 1486400 736.3924 2025.5677 1907.7420 121.4162 -206600.3410 17964.8618 0.0000 0.0000 34325.0171 -149519.3439 299.7689 -183844.3611 -149414.8422 298.8592 45.1777 84.4536 556262.8590 10.3582 10.6468 PRESSURE: 1486600 -26.6438 5.90083 38.5721 5.9005 122.324 -79.143 38.5725 -79.1412 5.93197 GPRESSURE: 1486600 1.05849 -51.4349 -47.8881 65.9606 182.662 -49.5612 95.9217 -51.9321 19.379 PRESSAVG: 1486600 -2.31598 20.824 7.50884 20.8239 -73.3731 9.3755 7.50882 9.37543 47.7819 GPRESSAVG: 1486600 -1.86872 21.4234 8.05958 17.0263 -73.0445 8.47672 7.78394 10.1365 47.4219 TIMING: 1486600 CPU: 4309.79, 0.0028879/step Wall: 4309.79, 0.0028879/step, 2.81843 hours remaining, 208.199219 MB of memory in use. ENERGY: 1486600 701.5347 2072.1856 1935.1255 120.8844 -206258.7942 17745.7243 0.0000 0.0000 34102.6599 -149580.6798 297.8270 -183683.3396 -149487.0673 298.8320 33.8707 67.7000 556225.6988 -9.3024 -9.1637 PRESSURE: 1486800 -6.95838 44.481 6.45398 44.4813 -257.009 -2.7563 6.45307 -2.75556 -100.943 GPRESSURE: 1486800 18.0243 103.536 -31.935 9.58276 -216.242 -61.314 44.4516 48.9623 -71.9694 PRESSAVG: 1486800 0.0980598 5.79029 8.54197 5.79028 29.5106 -19.2868 8.54188 -19.2868 -33.2876 GPRESSAVG: 1486800 -1.16433 8.99555 8.79002 6.41129 29.6995 -16.8752 5.70322 -21.8865 -32.5223 TIMING: 1486800 CPU: 4310.37, 0.00290255/step Wall: 4310.37, 0.00290255/step, 2.83256 hours remaining, 208.199219 MB of memory in use. ENERGY: 1486800 770.5683 2123.5930 1917.2776 114.8590 -206135.6573 17566.5368 0.0000 0.0000 34088.3642 -149554.4584 297.7022 -183642.8226 -149461.0994 298.1188 -121.6366 -90.0623 558614.5600 -1.2263 -1.3291 PRESSURE: 1487000 -48.5659 -121.797 -77.9745 -121.797 -84.3349 146.733 -77.9746 146.732 -63.0994 GPRESSURE: 1487000 10.7285 -83.0546 -27.9349 -208.65 -66.815 221.989 -44.8433 135.476 -42.9951 PRESSAVG: 1487000 16.8314 11.6948 -48.0685 11.6947 -14.62 10.4444 -48.0686 10.4444 29.573 GPRESSAVG: 1487000 17.941 8.53114 -45.8113 12.0105 -14.5651 9.93051 -49.0508 11.9011 28.6927 TIMING: 1487000 CPU: 4310.95, 0.00289163/step Wall: 4310.95, 0.00289163/step, 2.82175 hours remaining, 208.199219 MB of memory in use. ENERGY: 1487000 789.0674 2016.0914 1901.7213 114.1963 -206032.1035 17746.7338 0.0000 0.0000 33987.4576 -149476.8356 296.8209 -183464.2933 -149382.2372 298.3158 -65.3334 -33.0272 557443.4775 10.5948 10.6896 PRESSURE: 1487200 211.137 114.821 -71.8512 114.821 168.4 -31.0743 -71.8507 -31.0767 268.054 GPRESSURE: 1487200 237.115 181.281 -171.347 101.417 167.404 -12.61 38.2993 -35.2467 338.886 PRESSAVG: 1487200 -51.8393 19.4182 -39.2402 19.4181 76.5612 -23.2891 -39.2403 -23.2892 -43.0738 GPRESSAVG: 1487200 -51.3908 19.6687 -40.4647 19.2604 76.7676 -23.5871 -37.7455 -23.6053 -43.4297 TIMING: 1487200 CPU: 4311.53, 0.00288673/step Wall: 4311.53, 0.00288673/step, 2.81681 hours remaining, 208.199219 MB of memory in use. ENERGY: 1487200 753.0703 2047.7526 1932.7982 113.6851 -206568.4439 18084.9749 0.0000 0.0000 34319.3868 -149316.7760 299.7197 -183636.1628 -149216.5405 298.9412 215.8637 247.8016 558294.0327 -6.1173 -6.0176 PRESSURE: 1487400 -11.6225 45.5378 55.7948 45.5374 -66.2481 60.511 55.794 60.5116 -185.223 GPRESSURE: 1487400 72.116 41.2041 49.2247 27.4268 -49.0462 21.7572 11.0166 147.945 -191.18 PRESSAVG: 1487400 38.5492 -0.956508 23.8321 -0.956538 -22.2085 23.4467 23.8321 23.4468 -35.2312 GPRESSAVG: 1487400 38.8419 -0.0398066 22.389 -0.8466 -23.2047 23.0873 24.2837 23.5483 -34.8629 TIMING: 1487400 CPU: 4312.11, 0.00289034/step Wall: 4312.11, 0.00289034/step, 2.82017 hours remaining, 208.199219 MB of memory in use. ENERGY: 1487400 744.7209 2047.0484 1923.4340 113.0134 -206587.2415 17993.0106 0.0000 0.0000 34271.9944 -149494.0198 299.3059 -183766.0142 -149397.3174 298.6241 -87.6980 -56.0368 558100.8470 -6.2968 -6.4086 PRESSURE: 1487600 -166.734 81.7463 105.489 81.7457 -74.5722 -5.18358 105.49 -5.18455 -68.5232 GPRESSURE: 1487600 -103.2 -32.0589 98.3698 141.813 -29.3445 58.007 132.217 -83.2428 -84.9381 PRESSAVG: 1487600 53.8166 74.7472 33.2117 74.7473 -23.3454 12.122 33.2118 12.1218 -65.0863 GPRESSAVG: 1487600 55.1604 72.5918 32.1745 73.4415 -24.4652 11.5729 33.5958 11.9884 -65.0812 TIMING: 1487600 CPU: 4312.69, 0.00289329/step Wall: 4312.69, 0.00289329/step, 2.82289 hours remaining, 208.199219 MB of memory in use. ENERGY: 1487600 722.8283 2074.5200 1933.6900 121.7151 -205879.3185 17726.2934 0.0000 0.0000 33995.4235 -149304.8481 296.8905 -183300.2717 -149212.9871 298.5875 -103.2763 -72.4943 559357.1715 -11.5384 -11.4620 PRESSURE: 1487800 -296.83 -130.498 -22.7347 -130.499 -24.3053 -55.9775 -22.7363 -55.9772 -185.391 GPRESSURE: 1487800 -279.144 -184.205 -113.515 -112.808 -0.139512 -27.2495 -8.74391 -25.4169 -127.197 PRESSAVG: 1487800 102.203 -26.8331 -1.82292 -26.8332 -61.8445 -11.204 -1.82286 -11.2039 -16.7769 GPRESSAVG: 1487800 99.6551 -24.7038 -0.541657 -25.1016 -60.3009 -10.7113 -1.49844 -10.1057 -15.867 TIMING: 1487800 CPU: 4313.27, 0.00290543/step Wall: 4313.27, 0.00290543/step, 2.83457 hours remaining, 208.199219 MB of memory in use. ENERGY: 1487800 720.6523 2058.1619 1908.2607 111.7333 -206042.1055 17592.7812 0.0000 0.0000 34199.9166 -149450.5995 298.6764 -183650.5161 -149359.8988 298.7186 -168.8421 -135.4934 559493.8389 7.8604 7.8291 PRESSURE: 1488000 -8.85283 54.2203 62.843 54.2196 -97.9676 -31.5531 62.8424 -31.5521 -152.818 GPRESSURE: 1488000 30.7438 124.618 64.2625 -16.4908 -69.0247 -55.6628 87.8377 -17.5005 -127.12 PRESSAVG: 1488000 80.1214 17.4904 3.60409 17.4903 -29.6929 -31.9761 3.60406 -31.9761 -58.3615 GPRESSAVG: 1488000 81.0637 18.1537 4.67389 16.2058 -30.0012 -31.3198 2.5953 -34.3867 -59.5706 TIMING: 1488000 CPU: 4313.85, 0.00290889/step Wall: 4313.85, 0.00290889/step, 2.83779 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1488000 706.3819 2093.9720 1917.8713 110.0599 -206035.4796 17528.4506 0.0000 0.0000 34078.6694 -149600.0744 297.6175 -183678.7439 -149507.4840 298.0467 -86.5462 -55.1337 557649.9557 -2.6443 -2.8360 PRESSURE: 1488200 -44.3037 -16.1487 -49.8933 -16.1486 -171.685 28.8644 -49.8936 28.8647 178.011 GPRESSURE: 1488200 -37.133 -51.3364 -24.6507 -1.45463 -108.719 -74.9401 -124.292 72.4647 197.215 PRESSAVG: 1488200 12.8932 -24.3602 54.7743 -24.3603 -67.3586 8.17532 54.7743 8.17543 30.4018 GPRESSAVG: 1488200 11.8366 -25.9478 55.0384 -23.8386 -67.0695 7.68569 56.3664 9.28483 30.8492 TIMING: 1488200 CPU: 4314.43, 0.00292787/step Wall: 4314.43, 0.00292787/step, 2.85614 hours remaining, 208.199219 MB of memory in use. ENERGY: 1488200 743.2704 2066.0666 1890.7947 109.2411 -206552.2355 17906.3029 0.0000 0.0000 34337.9892 -149498.5706 299.8822 -183836.5598 -149406.8267 298.4442 -12.6592 17.1210 559021.7447 -8.0212 -8.1279 LDB: ============= START OF LOAD BALANCING ============== 4317.82 LDB: ============== END OF LOAD BALANCING =============== 4317.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4317.83 LDB: ============= START OF LOAD BALANCING ============== 4318.12 LDB: Largest compute 4794 load 0.021119 is 17.9% of average load 0.117947 LDB: Average compute 0.001701 is 1.4% of average load 0.117947 LDB: TIME 4318.12 LOAD: AVG 0.117947 MAX 0.184375 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.121 MB LDB: TIME 4318.12 LOAD: AVG 0.117947 MAX 0.184375 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.121 MB LDB: TIME 4318.12 LOAD: AVG 0.117947 MAX 0.184375 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4318.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4318.13 PRESSURE: 1488400 -151.723 139.165 16.2309 139.165 -366.067 -8.60789 16.2323 -8.60567 -1.49796 GPRESSURE: 1488400 -107.546 230.814 -86.8392 47.3107 -347.965 -14.6077 116.332 -78.1987 36.2899 PRESSAVG: 1488400 2.23254 -53.0681 -19.518 -53.0682 1.03444 64.2607 -19.518 64.2608 -10.0021 GPRESSAVG: 1488400 1.8074 -52.1342 -21.1039 -52.2392 1.23965 64.2818 -19.7002 64.9142 -10.0903 TIMING: 1488400 CPU: 4315.03, 0.00300043/step Wall: 4315.03, 0.00300043/step, 2.92676 hours remaining, 207.960938 MB of memory in use. ENERGY: 1488400 757.4185 2032.5254 1927.4131 103.9964 -206343.3067 17641.6871 0.0000 0.0000 34289.9573 -149590.3089 299.4627 -183880.2663 -149492.8759 299.3777 -173.0960 -139.7404 557715.1819 -2.2451 -2.3477 PRESSURE: 1488600 290.282 140.762 95.4614 140.761 93.7397 151.65 95.4615 151.65 334.305 GPRESSURE: 1488600 310.051 165.402 81.6853 169.086 150.242 -5.48872 86.9113 186.965 353.345 PRESSAVG: 1488600 18.2103 47.1067 -55.5146 47.1067 -48.384 23.1739 -55.5145 23.1738 47.5803 GPRESSAVG: 1488600 17.425 46.9319 -55.5592 47.0275 -47.1973 22.4584 -55.4757 21.8662 47.2329 TIMING: 1488600 CPU: 4315.62, 0.00291248/step Wall: 4315.62, 0.00291248/step, 2.8408 hours remaining, 207.960938 MB of memory in use. ENERGY: 1488600 728.2139 2020.0592 1952.8128 111.7687 -206586.1433 18134.8330 0.0000 0.0000 33995.5806 -149642.8750 296.8919 -183638.4556 -149548.9259 297.6207 239.4424 271.2130 555987.2764 5.8022 5.8202 PRESSURE: 1488800 37.4175 -186.48 44.9844 -186.48 -253.383 -71.8251 44.9845 -71.8273 175.515 GPRESSURE: 1488800 26.6857 -138.427 128.391 -76.2078 -174.977 -71.3854 -30.1769 -93.4119 186.154 PRESSAVG: 1488800 8.61403 3.71136 -28.9974 3.71133 -29.958 2.11241 -28.9976 2.11234 27.1212 GPRESSAVG: 1488800 9.77832 4.96087 -26.2033 4.66856 -31.1077 3.78715 -30.9702 2.32249 26.3189 TIMING: 1488800 CPU: 4316.2, 0.00290864/step Wall: 4316.2, 0.00290864/step, 2.83689 hours remaining, 208.015625 MB of memory in use. ENERGY: 1488800 728.7400 2078.9167 1920.6957 115.2039 -206404.6852 17847.3068 0.0000 0.0000 34011.5222 -149702.2998 297.0311 -183713.8220 -149602.9326 297.6671 -13.4833 12.6208 555589.3477 1.9257 1.6632 PRESSURE: 1489000 131.863 -147.185 98.2206 -147.184 89.9953 -16.9088 98.2208 -16.9089 7.23964 GPRESSURE: 1489000 194.884 -207.226 126.481 -190.427 92.3592 -71.6085 6.67477 -15.0818 50.5484 PRESSAVG: 1489000 -40.0568 16.4198 15.272 16.4199 -32.748 20.3276 15.2719 20.3277 83.5156 GPRESSAVG: 1489000 -38.948 14.4414 14.1371 14.2577 -34.2003 20.4095 16.3673 20.3711 84.39 TIMING: 1489000 CPU: 4316.79, 0.00293685/step Wall: 4316.79, 0.00293685/step, 2.86424 hours remaining, 208.015625 MB of memory in use. ENERGY: 1489000 768.0350 2092.5853 1938.3663 106.1619 -206492.1652 17973.1669 0.0000 0.0000 34039.6104 -149574.2394 297.2764 -183613.8499 -149477.1151 297.2618 76.3658 112.5973 556940.8816 3.5703 3.7472 PRESSURE: 1489200 21.0178 -53.3052 -16.913 -53.3057 66.3319 -47.9044 -16.9131 -47.9056 84.3397 GPRESSURE: 1489200 40.8165 -39.7546 57.6612 76.8784 87.0135 -14.5046 47.496 -64.5119 133.187 PRESSAVG: 1489200 -43.6087 -53.6595 58.1425 -53.6595 60.3049 6.99084 58.1426 6.99077 -22.733 GPRESSAVG: 1489200 -43.5659 -51.4208 57.6873 -55.4746 60.711 6.52741 57.8835 5.10054 -23.0744 TIMING: 1489200 CPU: 4317.37, 0.0029137/step Wall: 4317.37, 0.0029137/step, 2.84151 hours remaining, 208.015625 MB of memory in use. ENERGY: 1489200 730.9029 2019.7670 1923.8480 119.1925 -206183.4658 17941.9059 0.0000 0.0000 34113.4404 -149334.4090 297.9212 -183447.8495 -149237.6719 298.5514 57.2298 87.0058 556134.0974 -2.0123 -1.9764 PRESSURE: 1489400 226.897 190.668 16.897 190.669 126.543 17.8993 16.8968 17.8988 -60.1425 GPRESSURE: 1489400 274.438 174.652 95.1322 167.181 150.201 -16.8363 23.6492 38.855 -36.2089 PRESSAVG: 1489400 30.549 14.0177 16.1655 14.0176 -4.51298 -10.3297 16.1655 -10.3296 -22.1659 GPRESSAVG: 1489400 29.4103 13.926 16.0372 14.7249 -4.41416 -9.75985 16.0884 -7.93027 -21.5403 TIMING: 1489400 CPU: 4317.95, 0.00290751/step Wall: 4317.95, 0.00290751/step, 2.83531 hours remaining, 208.015625 MB of memory in use. ENERGY: 1489400 702.2623 2054.4729 1938.0048 107.3257 -206614.1464 18042.4871 0.0000 0.0000 34357.3976 -149412.1960 300.0517 -183769.5936 -149316.6189 299.3600 97.7658 129.4768 555921.3487 1.2900 1.1519 PRESSURE: 1489600 -90.9948 60.5881 -16.0784 60.589 44.3614 131.605 -16.0779 131.603 -116.732 GPRESSURE: 1489600 24.4584 0.69697 -83.7189 -4.9305 18.2777 124.57 20.5827 74.2899 -92.074 PRESSAVG: 1489600 5.55958 -6.6112 31.1301 -6.61111 -47.2798 9.77463 31.1301 9.7746 29.0172 GPRESSAVG: 1489600 5.78533 -8.47881 30.3487 -6.98175 -46.7221 10.1874 32.1075 9.31459 28.4142 TIMING: 1489600 CPU: 4318.53, 0.00289784/step Wall: 4318.53, 0.00289784/step, 2.82572 hours remaining, 208.015625 MB of memory in use. ENERGY: 1489600 728.9751 2058.8577 1943.7646 117.3089 -206445.5347 17827.4105 0.0000 0.0000 34315.4971 -149453.7207 299.6858 -183769.2178 -149360.0349 298.4382 -54.4551 -16.4460 556861.6213 -4.2343 -4.1742 PRESSURE: 1489800 61.0124 -89.4333 25.3039 -89.4346 -79.5518 35.8435 25.3027 35.8454 -68.2062 GPRESSURE: 1489800 37.3724 -90.0185 63.8286 -114.037 -16.9177 -12.1249 62.0226 81.2638 -3.95023 PRESSAVG: 1489800 37.5761 -28.9902 21.8121 -28.9903 20.2896 81.0984 21.8121 81.0984 -45.3926 GPRESSAVG: 1489800 36.8345 -29.5014 23.1587 -26.4355 20.6877 81.7066 19.9785 80.3928 -44.6522 TIMING: 1489800 CPU: 4319.11, 0.00290653/step Wall: 4319.11, 0.00290653/step, 2.83402 hours remaining, 208.015625 MB of memory in use. ENERGY: 1489800 716.8911 2046.8668 1933.7228 116.1343 -206395.2141 17836.4874 0.0000 0.0000 34265.7014 -149479.4103 299.2509 -183745.1116 -149384.5492 298.2917 -28.9152 5.5015 557890.2948 4.1577 4.2900 PRESSURE: 1490000 114.723 -12.6781 -63.1861 -12.6783 61.1919 -47.3394 -63.186 -47.3381 169.558 GPRESSURE: 1490000 130.743 -3.49507 -77.8805 -67.6108 45.1236 -114.749 -49.3277 -19.4194 247.708 PRESSAVG: 1490000 -27.3457 -28.7935 38.8786 -28.7934 51.4673 -24.7487 38.8786 -24.7487 1.88083 GPRESSAVG: 1490000 -26.9023 -29.6513 37.2426 -29.1927 51.066 -26.491 42.1463 -22.8398 1.49995 TIMING: 1490000 CPU: 4319.69, 0.00288591/step Wall: 4319.69, 0.00288591/step, 2.81376 hours remaining, 208.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1490000 739.5497 2061.6711 1938.9805 122.6133 -206472.9068 17973.3028 0.0000 0.0000 34205.8403 -149430.9491 298.7281 -183636.7894 -149334.7741 298.7921 115.1578 141.1916 557662.0990 8.6675 8.5545 PRESSURE: 1490200 -49.7071 -108.654 42.4681 -108.655 -250.057 13.0389 42.4672 13.0391 -2.44109 GPRESSURE: 1490200 9.63435 -83.9916 41.2831 -131.787 -245.727 47.1225 2.20832 14.1416 33.6728 PRESSAVG: 1490200 46.0173 -75.4348 14.3819 -75.4349 6.78192 -31.1053 14.3818 -31.1053 -12.8202 GPRESSAVG: 1490200 46.4158 -74.3954 13.2012 -76.2134 6.59914 -31.119 13.0091 -32.9062 -12.687 TIMING: 1490200 CPU: 4320.27, 0.00291476/step Wall: 4320.27, 0.00291476/step, 2.84173 hours remaining, 208.015625 MB of memory in use. ENERGY: 1490200 762.6256 2060.1314 1915.7177 115.0338 -205993.0237 17653.7209 0.0000 0.0000 34319.7538 -149166.0405 299.7229 -183485.7943 -149067.1584 298.5554 -100.7349 -67.4732 556771.9509 13.3263 13.4427 PRESSURE: 1490400 98.9079 90.2623 -44.0501 90.2616 252.532 -51.5686 -44.0491 -51.5685 -163.06 GPRESSURE: 1490400 135.306 167.709 40.8562 4.99465 237.954 -44.2413 -124.618 -71.7348 -84.7999 PRESSAVG: 1490400 35.5116 -21.7666 30.9438 -21.7666 15.5736 11.4544 30.9438 11.4545 -52.8709 GPRESSAVG: 1490400 35.8352 -22.3002 33.0329 -19.0277 15.8748 12.1664 28.866 12.1443 -54.1275 TIMING: 1490400 CPU: 4320.86, 0.00294039/step Wall: 4320.86, 0.00294039/step, 2.86655 hours remaining, 208.015625 MB of memory in use. ENERGY: 1490400 708.7745 2049.6538 1925.0977 129.6194 -206376.6566 17995.5971 0.0000 0.0000 34341.1015 -149226.8126 299.9094 -183567.9142 -149129.7992 299.7003 62.7935 96.1534 556990.6609 -0.5952 -0.8058 PRESSURE: 1490600 -94.0689 -61.6439 34.558 -61.6427 -79.8318 21.1958 34.5574 21.1964 -87.9949 GPRESSURE: 1490600 -42.3872 -140.64 27.0309 -94.4209 -39.3113 -34.0696 33.6968 71.0385 -85.3265 PRESSAVG: 1490600 -7.58279 11.9334 21.0046 11.9334 4.91932 -8.68318 21.0046 -8.68321 -49.9785 GPRESSAVG: 1490600 -8.06454 13.1662 21.3309 10.0027 3.96747 -9.62566 22.4641 -8.05188 -48.4707 TIMING: 1490600 CPU: 4321.44, 0.00292128/step Wall: 4321.44, 0.00292128/step, 2.84776 hours remaining, 208.015625 MB of memory in use. ENERGY: 1490600 731.2416 2098.6756 1923.8865 117.0256 -206106.5781 17700.5654 0.0000 0.0000 34295.5320 -149239.6514 299.5114 -183535.1834 -149137.8162 299.6867 -87.2985 -55.6750 557470.6291 -17.5473 -17.5226 PRESSURE: 1490800 168.562 -153.569 -198.871 -153.568 193.996 -4.0222 -198.873 -4.02104 4.74457 GPRESSURE: 1490800 221.201 -147.699 -195.586 -174.823 224.566 93.8028 -187.137 -80.7777 13.4416 PRESSAVG: 1490800 8.35064 -16.1898 13.2252 -16.1898 3.95228 1.89914 13.2252 1.89908 28.968 GPRESSAVG: 1490800 8.34995 -17.4854 13.2563 -14.991 4.28319 1.54984 12.6246 2.91168 28.6642 TIMING: 1490800 CPU: 4322.03, 0.00292054/step Wall: 4322.03, 0.00292054/step, 2.84688 hours remaining, 208.082031 MB of memory in use. ENERGY: 1490800 738.8887 2094.2446 1933.5092 106.7215 -206421.1181 17978.8558 0.0000 0.0000 34160.7310 -149408.1673 298.3342 -183568.8983 -149320.5896 298.7746 122.4341 153.0694 557841.0449 13.7570 13.7658 PRESSURE: 1491000 -91.8767 -141.806 6.48188 -141.806 -295.401 -93.6478 6.48195 -93.6489 -375.15 GPRESSURE: 1491000 -87.1613 -159.72 -11.2075 -81.0213 -268.414 -126.222 15.9958 -63.1121 -307.889 PRESSAVG: 1491000 61.6024 -58.2721 -9.25184 -58.2722 -45.8174 16.6792 -9.25194 16.6792 -35.5326 GPRESSAVG: 1491000 62.7382 -56.5538 -9.82588 -59.1681 -47.2801 17.0763 -7.9469 14.9958 -35.6173 TIMING: 1491000 CPU: 4322.61, 0.00290838/step Wall: 4322.61, 0.00290838/step, 2.83487 hours remaining, 208.082031 MB of memory in use. ENERGY: 1491000 751.1183 2093.9069 1953.6632 128.6516 -205683.9324 17437.8287 0.0000 0.0000 33931.0690 -149387.6946 296.3285 -183318.7636 -149292.1024 298.7167 -254.1425 -221.1547 558743.8860 -6.5825 -6.7197 PRESSURE: 1491200 331.33 -57.7118 131.219 -57.7125 244.921 -18.247 131.22 -18.2484 299.182 GPRESSURE: 1491200 385.346 -92.0186 73.7957 2.3152 303.889 19.132 205.213 -129.018 292.06 PRESSAVG: 1491200 -28.2795 -49.3171 10.7273 -49.3172 23.3691 -4.68005 10.7272 -4.67999 -12.6856 GPRESSAVG: 1491200 -28.522 -49.0701 9.12146 -50.2332 24.4799 -2.27142 8.13241 -4.20066 -13.5517 TIMING: 1491200 CPU: 4323.19, 0.00290775/step Wall: 4323.19, 0.00290775/step, 2.83409 hours remaining, 208.082031 MB of memory in use. ENERGY: 1491200 742.4444 2050.4368 1935.9427 122.5833 -206783.7904 18322.0577 0.0000 0.0000 34230.0136 -149380.3118 298.9392 -183610.3254 -149282.1468 298.1098 291.8110 327.0984 556944.1677 -5.8653 -5.8646 PRESSURE: 1491400 -65.7813 24.1689 -60.216 24.1687 -7.75652 102.347 -60.2154 102.347 -10.7973 GPRESSURE: 1491400 -74.8665 0.163577 -91.1836 83.8488 29.3173 157.02 -52.7363 99.0675 43.6744 PRESSAVG: 1491400 63.3475 -26.4039 -19.9469 -26.4038 -109.099 -3.45282 -19.9468 -3.45278 54.3005 GPRESSAVG: 1491400 63.3424 -27.6475 -16.9187 -23.9936 -110.017 -6.43069 -20.6877 -3.71875 55.5651 TIMING: 1491400 CPU: 4323.78, 0.00292062/step Wall: 4323.78, 0.00292062/step, 2.84647 hours remaining, 208.082031 MB of memory in use. ENERGY: 1491400 734.9536 2070.0303 1933.3861 111.2869 -206239.0437 17872.5259 0.0000 0.0000 34253.0342 -149263.8267 299.1403 -183516.8609 -149162.0910 298.6836 -28.1117 -0.6249 557634.8484 2.8498 2.9635 PRESSURE: 1491600 177.689 -99.9805 69.0991 -99.9803 -26.1823 49.1983 69.0988 49.1976 107.263 GPRESSURE: 1491600 163.777 -12.1075 104.63 -131.479 10.1857 -5.47845 76.1347 32.2159 175.809 PRESSAVG: 1491600 38.117 -4.86883 28.7894 -4.86884 -18.9795 27.1595 28.7894 27.1595 34.5414 GPRESSAVG: 1491600 37.2628 -4.64997 27.7147 -5.17856 -18.4169 30.507 31.3116 27.6366 34.3123 TIMING: 1491600 CPU: 4324.36, 0.00291135/step Wall: 4324.36, 0.00291135/step, 2.83727 hours remaining, 208.082031 MB of memory in use. ENERGY: 1491600 746.0356 2105.2869 1930.4162 108.0449 -206549.9399 17995.6399 0.0000 0.0000 34356.9322 -149307.5842 300.0476 -183664.5164 -149205.9802 299.3638 86.2567 116.5904 557998.1302 17.8930 17.7194 PRESSURE: 1491800 123.334 120.783 115.328 120.784 163.533 178.973 115.327 178.972 -23.1337 GPRESSURE: 1491800 201.676 117.392 136.417 134.679 134.278 167.489 148.538 179.092 34.8338 PRESSAVG: 1491800 -1.69222 40.661 22.8422 40.6611 -8.27094 25.1492 22.8423 25.1491 28.9076 GPRESSAVG: 1491800 -1.61157 40.4495 22.72 38.6143 -9.87153 23.8355 24.2089 23.8335 30.1242 TIMING: 1491800 CPU: 4324.94, 0.00289085/step Wall: 4324.94, 0.00289085/step, 2.81713 hours remaining, 208.082031 MB of memory in use. ENERGY: 1491800 735.8535 2085.8810 1929.4159 103.3835 -206289.4071 17935.3452 0.0000 0.0000 34139.2705 -149360.2575 298.1467 -183499.5279 -149259.8561 298.9337 87.9111 123.5958 557291.6901 6.3148 6.2137 PRESSURE: 1492000 111.2 -93.2815 113.293 -93.282 -147.205 -9.38256 113.294 -9.3833 -54.3009 GPRESSURE: 1492000 128.593 -66.2036 130.76 -143.592 -152.29 35.4745 117.903 -37.7566 31.1237 PRESSAVG: 1492000 13.8835 8.86552 25.6491 8.86542 -20.835 -38.3989 25.6491 -38.3991 8.92469 GPRESSAVG: 1492000 13.912 7.32034 26.8829 10.6137 -20.4839 -38.5645 23.8461 -37.0311 8.80771 TIMING: 1492000 CPU: 4325.51, 0.00289149/step Wall: 4325.51, 0.00289149/step, 2.8176 hours remaining, 208.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1492000 763.8007 2115.4172 1923.8928 113.2090 -206325.7196 17736.0219 0.0000 0.0000 34240.8230 -149432.5550 299.0336 -183673.3780 -149331.6959 298.7797 -30.1021 2.4756 557135.6227 0.6578 0.7453 PRESSURE: 1492200 -239.922 -11.9944 -28.1938 -11.9927 -172.589 58.5336 -28.1927 58.5326 49.6923 GPRESSURE: 1492200 -245.836 83.4361 -1.3854 -39.6259 -133.877 -26.728 -41.3446 39.5746 121.786 PRESSAVG: 1492200 1.33932 -5.38642 79.7647 -5.38644 13.8041 9.7392 79.7648 9.73909 10.7446 GPRESSAVG: 1492200 1.35285 -2.0794 78.8234 -6.3397 14.7819 8.22843 81.354 10.3714 9.5911 TIMING: 1492200 CPU: 4326.1, 0.00291164/step Wall: 4326.1, 0.00291164/step, 2.83707 hours remaining, 208.082031 MB of memory in use. ENERGY: 1492200 778.4865 2054.8946 1944.2077 106.8492 -206294.1704 17919.4747 0.0000 0.0000 34055.3503 -149434.9073 297.4138 -183490.2577 -149337.9974 298.4391 -120.9396 -85.9756 558005.1903 8.6293 8.5753 LDB: ============= START OF LOAD BALANCING ============== 4329.48 LDB: ============== END OF LOAD BALANCING =============== 4329.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4329.48 LDB: ============= START OF LOAD BALANCING ============== 4329.78 LDB: Largest compute 4794 load 0.022639 is 19.2% of average load 0.118000 LDB: Average compute 0.001707 is 1.4% of average load 0.118000 LDB: TIME 4329.78 LOAD: AVG 0.118 MAX 0.18527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.273 MB LDB: TIME 4329.78 LOAD: AVG 0.118 MAX 0.18527 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.336 MB LDB: TIME 4329.78 LOAD: AVG 0.118 MAX 0.18527 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4329.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4329.79 PRESSURE: 1492400 -415.685 42.481 44.083 42.4819 -274.105 -131.805 44.0832 -131.805 26.598 GPRESSURE: 1492400 -400.481 30.6027 -0.351753 20.3684 -212.912 -198.447 88.9116 -65.7075 64.6164 PRESSAVG: 1492400 20.2777 16.674 -33.5156 16.6741 -26.2618 -95.7719 -33.5156 -95.772 22.815 GPRESSAVG: 1492400 20.0057 15.9032 -32.969 16.3309 -26.5082 -93.506 -33.7168 -97.4708 23.3639 TIMING: 1492400 CPU: 4326.69, 0.00296512/step Wall: 4326.69, 0.00296512/step, 2.88902 hours remaining, 210.156250 MB of memory in use. ENERGY: 1492400 758.1828 2062.5372 1930.5454 108.6970 -206365.2677 17778.0906 0.0000 0.0000 34308.1873 -149419.0274 299.6219 -183727.2147 -149317.7258 298.9049 -221.0639 -182.9257 558287.0006 5.6103 5.6205 PRESSURE: 1492600 -100.28 102.761 -58.6832 102.761 -209.563 13.0194 -58.6827 13.0193 173.428 GPRESSURE: 1492600 -74.213 100.354 -76.6711 138.307 -199.674 110.05 -28.5887 -89.0381 247.149 PRESSAVG: 1492600 12.5687 41.5912 30.2655 41.5911 -84.4126 -77.2082 30.2656 -77.2083 20.8917 GPRESSAVG: 1492600 12.9128 40.6962 30.3048 42.0647 -85.2867 -79.2157 27.5278 -76.6457 20.9416 TIMING: 1492600 CPU: 4327.27, 0.00288022/step Wall: 4327.27, 0.00288022/step, 2.80613 hours remaining, 210.359375 MB of memory in use. ENERGY: 1492600 766.7353 2027.5509 1923.6464 120.0843 -206410.4998 17974.7504 0.0000 0.0000 34203.3591 -149394.3734 298.7064 -183597.7325 -149293.9497 298.7920 -45.4717 -8.9124 557861.2191 -16.9841 -17.1441 PRESSURE: 1492800 47.0175 110.744 -14.9956 110.745 279.412 22.0441 -14.9948 22.0445 -174.032 GPRESSURE: 1492800 108.85 71.043 -75.3786 20.9642 299.954 -27.5248 -58.4808 47.1775 -155.473 PRESSAVG: 1492800 4.7652 33.2882 -4.15811 33.2882 -51.065 -47.6111 -4.15805 -47.6112 74.0994 GPRESSAVG: 1492800 5.80047 32.9751 -4.69494 33.9161 -50.5561 -45.407 -3.12136 -46.8476 73.0094 TIMING: 1492800 CPU: 4327.84, 0.00289254/step Wall: 4327.84, 0.00289254/step, 2.81798 hours remaining, 210.359375 MB of memory in use. ENERGY: 1492800 798.2292 2022.2206 1945.2731 113.0484 -206279.3976 17751.0110 0.0000 0.0000 34325.5665 -149324.0488 299.7737 -183649.6154 -149230.3677 298.6229 50.7994 84.4437 555815.0338 9.2665 9.4179 PRESSURE: 1493000 51.1712 14.4323 35.9918 14.4308 84.7532 -156.951 35.9906 -156.951 25.5436 GPRESSURE: 1493000 156.326 84.2442 3.59991 -3.49327 148.013 -169.927 142.601 -121.319 -30.1333 PRESSAVG: 1493000 -23.3131 -39.4068 -20.7291 -39.4068 -39.9124 29.483 -20.7292 29.4829 39.7468 GPRESSAVG: 1493000 -24.5345 -39.3062 -21.0524 -39.5865 -38.5138 29.0978 -19.1252 29.0646 39.6394 TIMING: 1493000 CPU: 4328.42, 0.00289211/step Wall: 4328.42, 0.00289211/step, 2.8174 hours remaining, 210.359375 MB of memory in use. ENERGY: 1493000 730.0724 2062.7917 1919.9759 105.0283 -206535.3836 17886.1261 0.0000 0.0000 34329.7955 -149501.5937 299.8106 -183831.3893 -149407.0744 299.2199 53.8227 91.4019 556385.5775 -7.8262 -7.8030 PRESSURE: 1493200 -74.2548 -37.8775 4.04517 -37.8757 -333.341 153.859 4.04486 153.857 -247.396 GPRESSURE: 1493200 -64.2263 -36.1766 -27.7779 -38.6232 -266.205 119.761 -4.29871 130.788 -229.91 PRESSAVG: 1493200 -1.49976 -39.8635 6.72521 -39.8635 87.6449 -26.1176 6.72518 -26.1177 -24.521 GPRESSAVG: 1493200 -0.565121 -36.7706 5.87535 -39.9146 86.7272 -27.0785 5.59681 -25.0178 -24.8517 TIMING: 1493200 CPU: 4329, 0.00290114/step Wall: 4329, 0.00290114/step, 2.82603 hours remaining, 210.359375 MB of memory in use. ENERGY: 1493200 784.0947 2086.8886 1922.1592 96.8068 -206228.7506 17681.3727 0.0000 0.0000 34152.2035 -149505.2251 298.2597 -183657.4286 -149410.6349 298.8145 -218.3304 -186.7804 558098.4030 20.5414 20.4368 PRESSURE: 1493400 -194.669 0.544468 51.7236 0.545073 -331.364 160.435 51.7238 160.435 -287.075 GPRESSURE: 1493400 -107.421 -81.5372 125.018 11.4313 -348.162 224.601 33.0385 163.464 -245.765 PRESSAVG: 1493400 -20.9037 -17.3657 7.91397 -17.3656 -17.6351 30.6551 7.91396 30.655 -1.04943 GPRESSAVG: 1493400 -21.9967 -19.7562 8.29381 -17.5841 -16.952 29.5698 6.0255 30.4374 -0.618658 TIMING: 1493400 CPU: 4329.58, 0.00290766/step Wall: 4329.58, 0.00290766/step, 2.83222 hours remaining, 210.359375 MB of memory in use. ENERGY: 1493400 761.6562 2010.5917 1917.8869 106.1153 -206298.0245 17676.6166 0.0000 0.0000 34360.4543 -149464.7034 300.0784 -183825.1577 -149372.8962 298.5988 -271.0358 -233.7828 559068.0187 -13.1961 -13.1891 PRESSURE: 1493600 -115.749 55.8723 -129.257 55.8727 37.9924 187.284 -129.258 187.286 -273.961 GPRESSURE: 1493600 -68.5482 114.142 -153.354 100.403 36.2606 138.756 -104.953 115.275 -233.293 PRESSAVG: 1493600 56.3139 -22.2552 -37.8628 -22.2553 -38.7028 82.4084 -37.8628 82.4083 -23.5109 GPRESSAVG: 1493600 57.1619 -21.4572 -39.3704 -22.4445 -39.3808 82.9734 -35.9392 81.1224 -23.3145 TIMING: 1493600 CPU: 4330.16, 0.00289079/step Wall: 4330.16, 0.00289079/step, 2.81563 hours remaining, 210.359375 MB of memory in use. ENERGY: 1493600 721.1867 2071.7750 1908.0013 117.9691 -205917.4508 17576.5226 0.0000 0.0000 34144.2840 -149377.7121 298.1905 -183521.9961 -149279.9993 298.0690 -117.2390 -88.5269 558249.3810 -1.9666 -1.8445 PRESSURE: 1493800 -113.841 146.955 77.3338 146.953 89.4547 31.6863 77.3333 31.6867 -314.217 GPRESSURE: 1493800 -128.776 126.66 51.837 173.255 134.778 18.4661 -19.8146 47.8941 -263.935 PRESSAVG: 1493800 4.41314 1.81889 -35.2491 1.81882 -13.579 22.9635 -35.249 22.9635 21.5622 GPRESSAVG: 1493800 3.93671 2.61455 -34.442 1.44962 -13.2554 24.1605 -35.9225 23.9 21.6449 TIMING: 1493800 CPU: 4330.74, 0.00290139/step Wall: 4330.74, 0.00290139/step, 2.8258 hours remaining, 210.359375 MB of memory in use. ENERGY: 1493800 733.6689 2103.4483 1904.7652 119.5875 -205840.3973 17610.1800 0.0000 0.0000 34103.3469 -149265.4005 297.8330 -183368.7474 -149171.6588 298.4256 -112.8678 -85.9778 559653.8413 4.1321 4.1087 PRESSURE: 1494000 25.6144 50.4713 -237.772 50.4704 136.845 212.361 -237.772 212.36 55.6429 GPRESSURE: 1494000 72.0699 64.8351 -203.447 56.7887 165.123 98.3468 -216.695 201.798 79.5721 PRESSAVG: 1494000 -60.8959 5.16463 35.6276 5.16455 39.647 -9.04039 35.6276 -9.04041 24.5208 GPRESSAVG: 1494000 -60.6093 3.76334 32.983 6.35515 39.0279 -10.8473 35.7518 -10.7706 24.6289 TIMING: 1494000 CPU: 4331.33, 0.00292419/step Wall: 4331.33, 0.00292419/step, 2.84784 hours remaining, 210.359375 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: 1494000 740.7695 2120.0897 1927.1969 113.6176 -206469.4038 18097.4379 0.0000 0.0000 34077.9862 -149392.3059 297.6115 -183470.2921 -149301.4844 298.3467 72.7009 105.5882 558701.4150 1.0906 1.0158 PRESSURE: 1494200 -127.479 229.94 -7.48062 229.939 -170.161 48.4929 -7.48058 48.4939 -78.1024 GPRESSURE: 1494200 -57.2058 256.985 -26.291 127.185 -168.516 109.09 -45.6803 23.3937 -60.2386 PRESSAVG: 1494200 11.2338 98.8254 17.9439 98.8255 -71.4445 10.5497 17.9439 10.5496 44.7558 GPRESSAVG: 1494200 10.5785 99.8049 20.7798 98.2988 -70.6114 11.0391 19.2153 11.6191 44.8922 TIMING: 1494200 CPU: 4331.91, 0.00293373/step Wall: 4331.91, 0.00293373/step, 2.85697 hours remaining, 210.359375 MB of memory in use. ENERGY: 1494200 736.1957 2133.1968 1927.3231 110.0935 -206248.5825 17821.6469 0.0000 0.0000 34296.0306 -149224.0959 299.5158 -183520.1265 -149125.0138 298.4797 -125.2477 -95.3202 558809.1718 -5.1516 -5.0469 PRESSURE: 1494400 16.3246 160.18 60.1124 160.178 -143.371 7.73793 60.1136 7.73672 91.1767 GPRESSURE: 1494400 9.17516 132.881 78.7788 141.042 -118.422 0.0137746 -55.4086 54.6901 160.624 PRESSAVG: 1494400 26.8285 32.0799 6.50925 32.0801 -0.485421 -2.12344 6.50921 -2.1234 -31.0707 GPRESSAVG: 1494400 26.5722 31.5758 4.73835 31.6649 -1.64362 -4.45123 7.33099 -1.85649 -29.9026 TIMING: 1494400 CPU: 4332.49, 0.00289742/step Wall: 4332.49, 0.00289742/step, 2.82144 hours remaining, 210.359375 MB of memory in use. ENERGY: 1494400 740.4115 2076.7373 1923.4860 125.1738 -205989.0236 17834.5922 0.0000 0.0000 34190.0470 -149098.5757 298.5902 -183288.6227 -149003.5464 299.5287 -11.9566 17.1258 558667.1840 -1.5759 -1.6580 PRESSURE: 1494600 158.783 22.538 23.2976 22.5376 -74.5075 -48.4485 23.2973 -48.4482 37.9834 GPRESSURE: 1494600 190.757 46.4211 -53.3742 46.5407 -39.8113 -95.759 123.71 -12.6025 47.218 PRESSAVG: 1494600 74.2837 -31.4062 -26.0197 -31.4062 -31.574 16.5461 -26.0197 16.5461 3.04859 GPRESSAVG: 1494600 74.6969 -31.8866 -25.2036 -30.7882 -30.3028 19.6347 -25.8472 15.3381 0.681972 TIMING: 1494600 CPU: 4333.08, 0.00292746/step Wall: 4333.08, 0.00292746/step, 2.85053 hours remaining, 210.359375 MB of memory in use. ENERGY: 1494600 793.4021 2080.5458 1921.5986 118.5853 -206177.2436 17685.8305 0.0000 0.0000 34461.9272 -149115.3540 300.9646 -183577.2812 -149019.6471 299.9789 40.7530 66.0546 556362.5738 15.2528 15.0254 PRESSURE: 1494800 -94.8416 -81.424 92.163 -81.4237 -131.194 83.5961 92.1622 83.597 -206.896 GPRESSURE: 1494800 -21.3079 -141.525 116.947 -78.0614 -131.952 119.428 72.6793 59.3739 -189.152 PRESSAVG: 1494800 -18.8377 -1.23472 -26.7562 -1.2347 -49.443 -42.271 -26.7562 -42.2711 64.7337 GPRESSAVG: 1494800 -17.3161 -0.0107628 -25.4392 -2.60988 -50.3833 -42.9552 -27.4599 -41.6791 64.8624 TIMING: 1494800 CPU: 4333.66, 0.00292093/step Wall: 4333.66, 0.00292093/step, 2.84401 hours remaining, 210.359375 MB of memory in use. ENERGY: 1494800 759.1032 2123.2868 1926.7627 123.9090 -205932.2807 17481.7937 0.0000 0.0000 34362.4605 -149154.9648 300.0959 -183517.4253 -149059.1395 299.6577 -144.3106 -114.1371 557101.0176 -1.1823 -0.9457 PRESSURE: 1495000 -395.107 107.363 80.776 107.362 -316.591 21.4311 80.7758 21.4303 -24.9499 GPRESSURE: 1495000 -366.658 104.499 102.602 42.6594 -284.496 47.2764 45.5096 58.9753 10.0632 PRESSAVG: 1495000 27.5463 -35.5838 -11.822 -35.5838 -75.3552 -30.6186 -11.822 -30.6186 42.144 GPRESSAVG: 1495000 27.2516 -37.7263 -12.0453 -34.2065 -76.0656 -28.6757 -13.3236 -32.3695 42.9515 TIMING: 1495000 CPU: 4334.25, 0.00291668/step Wall: 4334.25, 0.00291668/step, 2.83971 hours remaining, 210.359375 MB of memory in use. ENERGY: 1495000 745.7416 2075.2131 1918.0526 112.6080 -205925.1102 17579.9406 0.0000 0.0000 34257.0072 -149236.5471 299.1750 -183493.5543 -149141.1138 299.2407 -245.5496 -213.6970 560470.7483 -1.8883 -1.9542 PRESSURE: 1495200 -68.3808 -52.9758 -107.972 -52.9776 91.2944 -231.985 -107.972 -231.985 -41.0563 GPRESSURE: 1495200 -32.9568 -1.38186 -95.9803 -181.322 157.115 -123.337 -174.488 -246.791 -42.7499 PRESSAVG: 1495200 28.4517 53.8225 -20.4877 53.8224 -22.241 -63.3259 -20.4877 -63.3259 -32.4671 GPRESSAVG: 1495200 27.4652 55.196 -19.9993 52.1555 -21.9527 -65.0595 -20.5776 -61.6585 -31.7072 TIMING: 1495200 CPU: 4334.83, 0.00289744/step Wall: 4334.83, 0.00289744/step, 2.82082 hours remaining, 210.359375 MB of memory in use. ENERGY: 1495200 732.6652 2096.1497 1944.7817 112.8963 -206194.9674 17783.5119 0.0000 0.0000 34302.2036 -149222.7591 299.5697 -183524.9627 -149128.8349 299.6350 -6.0476 27.1360 557591.7752 -8.7521 -8.7316 PRESSURE: 1495400 51.2933 -15.1989 -21.0555 -15.1988 -52.2272 33.8348 -21.0543 33.835 -56.212 GPRESSURE: 1495400 114.182 -44.4634 98.7462 54.2699 -8.21608 15.0823 -4.1925 76.9752 -60.879 PRESSAVG: 1495400 65.0346 -12.426 -42.0173 -12.426 -15.5351 -7.95866 -42.0173 -7.95864 -48.1864 GPRESSAVG: 1495400 65.3757 -11.8066 -42.3145 -13.7027 -15.7688 -8.2573 -42.4453 -8.74468 -48.1204 TIMING: 1495400 CPU: 4335.4, 0.00288631/step Wall: 4335.4, 0.00288631/step, 2.80982 hours remaining, 210.429688 MB of memory in use. ENERGY: 1495400 754.1956 2041.0680 1945.0322 121.6301 -206166.2901 17821.3241 0.0000 0.0000 34160.8475 -149322.1925 298.3352 -183483.0400 -149224.9432 298.2972 -19.0486 15.0289 557638.7866 0.4377 0.4955 PRESSURE: 1495600 203.965 -59.5747 125.875 -59.5762 -58.8909 16.4501 125.875 16.4507 193.249 GPRESSURE: 1495600 261.818 -12.2539 191.008 -100.109 -24.776 -51.9661 -24.9032 74.6459 197.291 PRESSAVG: 1495600 2.57392 8.71225 34.7106 8.71221 -3.90689 -26.1283 34.7106 -26.1283 -2.38935 GPRESSAVG: 1495600 2.53942 6.89556 32.4696 10.1137 -3.73344 -26.3062 36.4962 -24.853 -2.911 TIMING: 1495600 CPU: 4335.98, 0.0029012/step Wall: 4335.98, 0.0029012/step, 2.82416 hours remaining, 210.429688 MB of memory in use. ENERGY: 1495600 777.1274 2134.6486 1923.2346 110.2639 -206432.5417 18048.3368 0.0000 0.0000 34139.8514 -149299.0790 298.1518 -183438.9303 -149203.8302 299.2331 112.7746 144.7779 558091.5246 -1.2408 -1.3683 PRESSURE: 1495800 167.732 -41.5065 -148.684 -41.5071 -61.2218 -219.264 -148.684 -219.266 -50.5075 GPRESSURE: 1495800 178.676 -155.877 -130.463 6.34998 43.0456 -300.986 -128.614 -191.012 -67.5049 PRESSAVG: 1495800 21.5034 -15.3836 -1.37059 -15.3836 -25.9963 -53.138 -1.37067 -53.1379 15.5787 GPRESSAVG: 1495800 22.2246 -14.8217 -0.634889 -15.2914 -25.583 -52.2528 -2.47851 -55.388 14.7556 TIMING: 1495800 CPU: 4336.57, 0.00290908/step Wall: 4336.57, 0.00290908/step, 2.83167 hours remaining, 210.429688 MB of memory in use. ENERGY: 1495800 738.0718 2123.1326 1923.2972 113.2015 -206230.7382 17689.6644 0.0000 0.0000 34261.1282 -149382.2426 299.2110 -183643.3708 -149293.3947 298.7659 18.6674 51.4055 557327.5180 3.6953 3.7990 PRESSURE: 1496000 -153.39 -46.6864 -49.4117 -46.6857 -61.3412 52.9751 -49.4117 52.9758 -20.4161 GPRESSURE: 1496000 -168.109 -81.4422 -80.499 42.9092 -26.0627 79.2943 18.5674 46.6065 51.6758 PRESSAVG: 1496000 19.1894 -24.6841 -24.2994 -24.6842 -73.1559 -52.9115 -24.2995 -52.9117 88.4254 GPRESSAVG: 1496000 18.904 -25.871 -23.1245 -23.2777 -74.4176 -55.7287 -22.8989 -48.5646 90.6834 TIMING: 1496000 CPU: 4337.15, 0.00290471/step Wall: 4337.15, 0.00290471/step, 2.82725 hours remaining, 210.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1496000 728.3494 2105.5728 1934.8968 110.4441 -206286.3446 17816.6703 0.0000 0.0000 34247.5785 -149342.8327 299.0926 -183590.4112 -149243.8452 298.9689 -78.3824 -47.4986 557334.9811 11.4863 11.7233 PRESSURE: 1496200 235.509 18.6857 106.226 18.6848 422.386 -132.479 106.226 -132.478 61.4969 GPRESSURE: 1496200 248.539 34.1767 106.491 78.2656 508.159 -191.238 128.591 -136.908 61.4966 PRESSAVG: 1496200 19.1872 -17.1734 39.3394 -17.1732 -45.4897 -26.3122 39.3394 -26.3121 46.1292 GPRESSAVG: 1496200 18.6103 -16.002 37.0499 -19.1707 -43.815 -23.1275 37.9016 -28.2677 45.5166 TIMING: 1496200 CPU: 4337.73, 0.00293633/step Wall: 4337.73, 0.00293633/step, 2.85787 hours remaining, 210.429688 MB of memory in use. ENERGY: 1496200 704.9163 2126.5517 1945.4200 109.1581 -206282.5914 17939.0762 0.0000 0.0000 34181.0932 -149276.3758 298.5120 -183457.4690 -149180.3822 299.4460 239.7975 272.7314 555898.4482 6.6089 6.7706 LDB: ============= START OF LOAD BALANCING ============== 4341.12 LDB: ============== END OF LOAD BALANCING =============== 4341.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4341.12 LDB: ============= START OF LOAD BALANCING ============== 4341.42 LDB: Largest compute 4792 load 0.021946 is 18.6% of average load 0.118022 LDB: Average compute 0.001705 is 1.4% of average load 0.118022 LDB: TIME 4341.42 LOAD: AVG 0.118022 MAX 0.185862 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.895 MB LDB: TIME 4341.42 LOAD: AVG 0.118022 MAX 0.185862 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.895 MB LDB: TIME 4341.42 LOAD: AVG 0.118022 MAX 0.185862 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4341.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4341.42 PRESSURE: 1496400 104.782 239.912 63.389 239.912 -97.6511 20.6866 63.3879 20.6853 -196.905 GPRESSURE: 1496400 75.2808 181.598 89.3396 283.992 -44.6237 34.2619 80.0197 -22.8205 -132.936 PRESSAVG: 1496400 46.2496 -15.0095 16.5644 -15.0094 -10.5263 -3.14263 16.5645 -3.14265 -8.204 GPRESSAVG: 1496400 46.6518 -15.6382 18.7337 -13.2781 -10.2965 -3.44758 16.8405 -3.30952 -9.26283 TIMING: 1496400 CPU: 4338.33, 0.00297143/step Wall: 4338.33, 0.00297143/step, 2.89186 hours remaining, 208.359375 MB of memory in use. ENERGY: 1496400 743.2659 2116.8668 1952.6445 114.5534 -206380.1733 17884.9639 0.0000 0.0000 34257.3599 -149310.5190 299.1780 -183567.8789 -149208.6281 298.8515 -63.2580 -34.0929 558379.7151 9.1731 9.0308 PRESSURE: 1496600 108.803 -50.8697 -29.2898 -50.8698 157.135 107.695 -29.2884 107.695 179.906 GPRESSURE: 1496600 189.841 -98.4694 23.8511 21.5127 121.427 123.308 -40.3177 88.0165 236.259 PRESSAVG: 1496600 -5.43265 34.8773 -26.1212 34.8772 9.03944 -34.2754 -26.1212 -34.2754 15.9744 GPRESSAVG: 1496600 -5.00312 33.8364 -27.9368 34.6531 8.04498 -34.0136 -26.8449 -35.0311 16.9733 TIMING: 1496600 CPU: 4338.91, 0.00289025/step Wall: 4338.91, 0.00289025/step, 2.8127 hours remaining, 208.429688 MB of memory in use. ENERGY: 1496600 683.3460 2107.0985 1944.5573 110.2510 -206302.0413 17924.8848 0.0000 0.0000 34197.4200 -149334.4837 298.6546 -183531.9037 -149238.3412 299.5278 148.6146 182.5091 556685.3409 6.5271 6.6717 PRESSURE: 1496800 521.24 -52.3541 88.9031 -52.3544 -2.01866 26.2176 88.9036 26.2184 147.957 GPRESSURE: 1496800 524.356 -61.8166 120.009 -36.867 18.3557 12.6403 17.6828 -78.9542 227.733 PRESSAVG: 1496800 -12.6476 -31.4486 -31.5699 -31.4487 21.7613 -22.0344 -31.5701 -22.0344 -0.56337 GPRESSAVG: 1496800 -12.6509 -27.0847 -30.8803 -34.7516 21.4207 -21.9308 -29.7391 -21.496 -0.30095 TIMING: 1496800 CPU: 4339.49, 0.0029064/step Wall: 4339.49, 0.0029064/step, 2.82825 hours remaining, 208.429688 MB of memory in use. ENERGY: 1496800 766.4276 2102.8700 1945.6688 115.0553 -206641.6555 18011.3197 0.0000 0.0000 34369.8599 -149330.4541 300.1605 -183700.3140 -149237.9555 298.9336 222.3928 256.8150 554953.7042 2.8501 2.8230 PRESSURE: 1497000 -280.172 212.664 -11.7469 212.664 -128.314 98.8461 -11.7456 98.8453 53.9818 GPRESSURE: 1497000 -227.27 213.798 -49.2366 149.407 -69.1975 97.083 77.6017 111.906 32.1006 PRESSAVG: 1497000 35.6942 91.0948 -47.1938 91.0948 -18.3835 13.0532 -47.1937 13.0531 13.3056 GPRESSAVG: 1497000 35.441 87.3715 -46.9598 95.9539 -17.3623 11.4673 -48.2671 13.7763 12.6054 TIMING: 1497000 CPU: 4340.07, 0.00292416/step Wall: 4340.07, 0.00292416/step, 2.84537 hours remaining, 208.429688 MB of memory in use. ENERGY: 1497000 716.9587 2105.6569 1930.7457 127.4027 -205793.5726 17483.7034 0.0000 0.0000 34271.9528 -149157.1526 299.3055 -183429.1053 -149064.1667 299.3777 -118.1681 -88.1224 557293.5360 10.2054 10.2280 PRESSURE: 1497200 -91.4842 -32.7312 -12.7773 -32.7313 133.704 -270.57 -12.7779 -270.572 52.9825 GPRESSURE: 1497200 -27.7967 -34.5634 71.3849 -2.4614 110.546 -266.598 -77.3278 -236.978 110.393 PRESSAVG: 1497200 -38.3207 -48.5311 -14.1571 -48.5311 4.37893 -17.8842 -14.1571 -17.8841 11.2324 GPRESSAVG: 1497200 -39.861 -48.2252 -12.6772 -47.8452 5.03651 -17.4181 -15.4668 -17.2678 11.9823 TIMING: 1497200 CPU: 4340.66, 0.00291993/step Wall: 4340.66, 0.00291993/step, 2.84109 hours remaining, 208.429688 MB of memory in use. ENERGY: 1497200 755.7212 2075.3969 1926.7595 128.1173 -206085.9557 17744.4479 0.0000 0.0000 34366.4007 -149089.1122 300.1303 -183455.5129 -148992.7877 299.8996 31.7340 64.3807 557782.4565 -7.5698 -7.6140 PRESSURE: 1497400 -2.21959 -74.883 -182.915 -74.8818 189.039 -148.715 -182.916 -148.716 -56.517 GPRESSURE: 1497400 -56.2958 2.26087 -107.401 -119.255 253.475 -123.561 -110.896 -183.034 29.1574 PRESSAVG: 1497400 10.5071 13.8525 -7.83522 13.8525 42.7485 -29.7155 -7.8352 -29.7156 -28.246 GPRESSAVG: 1497400 11.0157 14.2406 -8.70031 11.7494 42.4113 -28.9126 -6.62104 -32.0378 -28.2817 TIMING: 1497400 CPU: 4341.24, 0.00289856/step Wall: 4341.24, 0.00289856/step, 2.82014 hours remaining, 208.429688 MB of memory in use. ENERGY: 1497400 736.7004 2075.5003 1906.2752 113.0367 -206065.2184 17875.9413 0.0000 0.0000 34302.9386 -149054.8260 299.5761 -183357.7645 -148956.5954 300.7209 43.4342 75.4454 557947.9720 8.3365 8.3818 PRESSURE: 1497600 -0.974527 55.2286 -129.547 55.228 -64.2859 35.8114 -129.548 35.8137 200.628 GPRESSURE: 1497600 37.4281 -22.8646 -37.6276 94.8522 -10.8744 120.768 -157.752 -35.5843 202.977 PRESSAVG: 1497600 -34.105 -5.4452 -60.5233 -5.44519 -9.68399 -30.8764 -60.5233 -30.8764 7.44854 GPRESSAVG: 1497600 -33.6846 -5.67858 -58.2049 -5.79668 -9.08554 -32.0073 -61.2477 -28.4255 6.9332 TIMING: 1497600 CPU: 4341.81, 0.00288351/step Wall: 4341.81, 0.00288351/step, 2.80534 hours remaining, 208.429688 MB of memory in use. ENERGY: 1497600 756.6820 2048.2157 1941.5341 107.5935 -206407.8542 17971.8761 0.0000 0.0000 34437.9304 -149144.0224 300.7550 -183581.9528 -149043.2886 299.9624 45.1226 76.5101 557175.2262 -12.1135 -11.9456 PRESSURE: 1497800 -37.3319 -63.9025 112.046 -63.9017 -9.04015 -142.212 112.047 -142.212 314.192 GPRESSURE: 1497800 -1.27568 -16.8456 50.1572 -37.0293 50.1384 -150.63 158.015 -82.6498 298.943 PRESSAVG: 1497800 13.753 5.10561 -33.5704 5.10568 -55.0462 -27.423 -33.5703 -27.4231 47.0826 GPRESSAVG: 1497800 15.3136 4.79576 -37.4782 6.3836 -55.426 -26.0232 -33.2327 -29.8095 45.6997 TIMING: 1497800 CPU: 4342.39, 0.00289229/step Wall: 4342.39, 0.00289229/step, 2.81372 hours remaining, 208.429688 MB of memory in use. ENERGY: 1497800 715.4018 2063.2577 1953.6285 113.4152 -205846.1187 17850.9988 0.0000 0.0000 34278.9800 -148870.4367 299.3669 -183149.4167 -148779.5006 300.4199 89.2732 115.9352 557844.3011 1.9298 1.8624 PRESSURE: 1498000 113.611 83.1271 -9.56916 83.1267 142.499 30.0656 -9.56827 30.0656 88.6708 GPRESSURE: 1498000 149.109 23.7056 80.1757 111.336 180.641 48.5563 -99.982 45.0021 115.81 PRESSAVG: 1498000 11.0866 -32.1029 -14.4153 -32.1028 -52.4834 17.6533 -14.4154 17.6533 27.2103 GPRESSAVG: 1498000 8.97122 -30.2261 -12.0397 -33.0269 -52.1178 14.3792 -16.0102 19.6092 29.3886 TIMING: 1498000 CPU: 4342.98, 0.00292204/step Wall: 4342.98, 0.00292204/step, 2.8425 hours remaining, 208.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1498000 724.2117 2028.2133 1962.8241 114.5627 -205897.0580 17845.2021 0.0000 0.0000 34297.7667 -148924.2775 299.5309 -183222.0442 -148825.4895 300.3748 114.9272 148.5202 557726.6535 -4.7288 -4.5860 PRESSURE: 1498200 16.4658 124.365 115.042 124.365 133.133 -14.7767 115.042 -14.7768 244.717 GPRESSURE: 1498200 61.1047 49.63 -26.3824 150.447 159.453 -49.4501 159.793 -36.5062 273.581 PRESSAVG: 1498200 21.929 -23.8709 38.7166 -23.8708 -33.7059 -27.1958 38.7166 -27.1958 13.5844 GPRESSAVG: 1498200 23.6653 -24.0417 37.4941 -25.7261 -34.8453 -26.4422 41.1042 -28.3275 13.258 TIMING: 1498200 CPU: 4343.56, 0.00293553/step Wall: 4343.56, 0.00293553/step, 2.85545 hours remaining, 208.429688 MB of memory in use. ENERGY: 1498200 718.2890 2067.3160 1916.5223 119.9817 -206063.1069 17976.5761 0.0000 0.0000 34300.4380 -148963.9837 299.5543 -183264.4217 -148868.9393 300.0789 131.4385 164.7128 558074.5427 0.6025 0.6926 PRESSURE: 1498400 -51.0564 -41.6744 54.8879 -41.6755 -253.004 -100.183 54.8887 -100.185 -21.8338 GPRESSURE: 1498400 -32.6387 31.1651 133.15 -30.7463 -189.195 -60.1869 67.5067 -106.063 -5.49555 PRESSAVG: 1498400 10.4128 -3.81956 36.2194 -3.81966 -1.85579 61.6661 36.2193 61.6661 -6.13372 GPRESSAVG: 1498400 9.59384 -4.52546 39.9919 -2.28565 -1.04741 61.6859 33.5762 63.0599 -5.82008 TIMING: 1498400 CPU: 4344.14, 0.00289175/step Wall: 4344.14, 0.00289175/step, 2.8127 hours remaining, 208.429688 MB of memory in use. ENERGY: 1498400 790.0276 2079.2565 1964.3569 110.6242 -206306.6612 17899.6935 0.0000 0.0000 34482.8154 -148979.8870 301.1470 -183462.7025 -148886.5443 300.4082 -108.6314 -75.7765 558038.3443 0.8078 0.9088 PRESSURE: 1498600 235.877 105.343 23.9861 105.343 129.929 -164.111 23.986 -164.11 165.509 GPRESSURE: 1498600 254.314 98.8847 94.6784 129.644 191.232 -44.5118 -83.2346 -177.799 170.496 PRESSAVG: 1498600 -42.8284 23.9265 18.6433 23.9265 35.985 -4.53716 18.6433 -4.53706 32.6967 GPRESSAVG: 1498600 -41.9715 23.5861 15.9392 24.1322 36.2637 -2.44654 21.2973 -5.80951 31.7432 TIMING: 1498600 CPU: 4344.72, 0.00288825/step Wall: 4344.72, 0.00288825/step, 2.80914 hours remaining, 208.429688 MB of memory in use. ENERGY: 1498600 734.3146 2078.8756 1961.3971 108.4298 -206384.4123 17860.9954 0.0000 0.0000 34499.6295 -149140.7703 301.2938 -183640.3998 -149048.5036 299.8916 177.1049 205.3476 555738.0202 8.6178 8.6785 PRESSURE: 1498800 278.993 -14.3403 34.4853 -14.3405 64.7088 22.2618 34.4851 22.2606 -14.9707 GPRESSURE: 1498800 363.402 7.21698 20.7821 -29.1804 104.853 23.7554 18.7976 -36.3021 -40.321 PRESSAVG: 1498800 23.904 16.3396 10.0297 16.3396 6.42415 -28.2509 10.0297 -28.2509 -41.3411 GPRESSAVG: 1498800 23.0766 15.7578 9.49409 18.0897 6.21858 -26.7233 8.21656 -29.5149 -40.6496 TIMING: 1498800 CPU: 4345.3, 0.00289832/step Wall: 4345.3, 0.00289832/step, 2.81878 hours remaining, 208.429688 MB of memory in use. ENERGY: 1498800 710.2410 2104.9562 1940.7101 100.2023 -206561.2850 18014.6554 0.0000 0.0000 34394.3201 -149296.1997 300.3742 -183690.5199 -149204.2342 299.5575 109.5770 142.6446 557165.5206 -3.6710 -3.7848 PRESSURE: 1499000 204.077 -69.1813 51.1313 -69.1817 -4.6447 3.32884 51.1318 3.32971 136.299 GPRESSURE: 1499000 222.269 -154.679 46.3784 -2.5735 8.86677 10.6093 -6.02902 26.4826 206.273 PRESSAVG: 1499000 41.1106 25.7213 -21.9156 25.7213 -24.6039 -27.4095 -21.9156 -27.4094 -21.4433 GPRESSAVG: 1499000 41.7633 24.721 -20.7758 26.157 -25.577 -28.6839 -20.5136 -25.9939 -21.6717 TIMING: 1499000 CPU: 4345.87, 0.0028682/step Wall: 4345.87, 0.0028682/step, 2.78933 hours remaining, 208.429688 MB of memory in use. ENERGY: 1499000 757.5898 2108.7571 1949.8799 121.6819 -206667.9852 18088.5644 0.0000 0.0000 34319.6285 -149321.8836 299.7219 -183641.5121 -149225.6927 299.9737 111.9104 145.8031 555692.5067 -1.6455 -1.8285 PRESSURE: 1499200 -4.54973 94.2509 -103.378 94.2506 27.011 -64.2899 -103.377 -64.2904 -131.449 GPRESSURE: 1499200 22.2005 62.5092 -34.257 122.68 24.534 -40.6176 -183.259 65.4312 -68.6735 PRESSAVG: 1499200 -4.13028 3.64677 -9.66348 3.64671 19.6205 -20.6184 -9.66352 -20.6184 -47.9362 GPRESSAVG: 1499200 -5.64144 5.21962 -11.9986 0.822774 19.929 -20.9157 -9.99182 -20.2618 -47.01 TIMING: 1499200 CPU: 4346.45, 0.00288756/step Wall: 4346.45, 0.00288756/step, 2.80799 hours remaining, 208.429688 MB of memory in use. ENERGY: 1499200 730.5919 2086.9426 1939.6980 110.3344 -206337.9268 17769.5012 0.0000 0.0000 34300.9204 -149399.9383 299.5585 -183700.8587 -149304.8111 298.7648 -36.3294 -7.3130 557615.7929 -10.8153 -10.9075 PRESSURE: 1499400 46.9969 14.4443 -34.9193 14.4428 188.379 113.279 -34.92 113.279 -52.4889 GPRESSURE: 1499400 78.7949 -23.4258 -28.7209 -16.3451 217.711 51.8472 -29.7586 152.453 -17.7098 PRESSAVG: 1499400 6.43155 -35.5283 -3.7087 -35.5283 10.1267 6.81048 -3.70876 6.81049 -12.7753 GPRESSAVG: 1499400 5.95789 -35.6253 -4.33707 -34.8365 11.1579 7.65158 -2.91108 5.18557 -13.6281 TIMING: 1499400 CPU: 4347.03, 0.00287991/step Wall: 4347.03, 0.00287991/step, 2.8004 hours remaining, 208.429688 MB of memory in use. ENERGY: 1499400 722.6894 2076.2555 1945.4756 115.0698 -206221.7515 17842.1801 0.0000 0.0000 34172.6162 -149347.4650 298.4380 -183520.0812 -149251.9804 299.4237 60.9623 92.9320 557958.4102 1.2610 1.1625 PRESSURE: 1499600 -3.25472 162.884 23.5322 162.886 72.1096 11.5214 23.532 11.523 6.17758 GPRESSURE: 1499600 51.5425 146.134 -45.6692 140.312 113.728 -24.0603 -51.5307 -41.4197 20.8325 PRESSAVG: 1499600 -5.98062 35.0662 -5.1079 35.0663 31.1413 0.4391 -5.10788 0.439094 -28.3648 GPRESSAVG: 1499600 -5.93513 33.4372 -2.58037 35.682 29.773 0.397455 -6.29857 0.0059081 -26.9909 TIMING: 1499600 CPU: 4347.6, 0.00288385/step Wall: 4347.6, 0.00288385/step, 2.80407 hours remaining, 208.429688 MB of memory in use. ENERGY: 1499600 766.8433 2023.1662 1974.5924 118.6380 -206395.5638 18030.7206 0.0000 0.0000 34212.1912 -149269.4122 298.7836 -183481.6034 -149176.4858 298.9070 25.0108 62.0343 557774.3303 -1.0681 -1.0510 PRESSURE: 1499800 267.51 -252.855 -77.0676 -252.856 -152.967 -52.0513 -77.067 -52.0509 33.8946 GPRESSURE: 1499800 279.723 -141.545 -118.85 -299.814 -82.8487 -89.2118 -32.2914 -54.9926 48.5344 PRESSAVG: 1499800 52.9516 15.6212 39.9797 15.6212 -15.9801 41.679 39.9798 41.679 15.651 GPRESSAVG: 1499800 54.1352 15.6438 38.308 15.7628 -15.6757 39.913 40.9563 42.6333 13.9327 TIMING: 1499800 CPU: 4348.18, 0.0028769/step Wall: 4348.18, 0.0028769/step, 2.79714 hours remaining, 208.429688 MB of memory in use. ENERGY: 1499800 735.6142 2046.0800 1926.3928 105.7090 -206463.5258 18127.2750 0.0000 0.0000 34088.4361 -149434.0186 297.7028 -183522.4548 -149336.2118 298.4850 49.4793 81.8029 557208.6603 17.5408 17.4641 PRESSURE: 1500000 183.773 -182.398 147.66 -182.399 36.2046 41.7074 147.659 41.708 -26.5776 GPRESSURE: 1500000 186.301 -193.498 94.3872 -206.045 88.4983 46.4939 128.827 69.8258 14.7874 PRESSAVG: 1500000 -1.02442 -15.5604 -28.9002 -15.5605 20.9523 -34.9436 -28.9002 -34.9436 -9.68764 GPRESSAVG: 1500000 -2.10423 -14.5167 -28.1914 -14.8239 22.0376 -31.7527 -30.1076 -35.416 -9.99491 TIMING: 1500000 CPU: 4348.76, 0.00289874/step Wall: 4348.76, 0.00289874/step, 2.81822 hours remaining, 208.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1500000 750.0855 2106.6223 1939.8923 100.4307 -206370.0693 17988.9203 0.0000 0.0000 34233.8641 -149250.2541 298.9728 -183484.1182 -149158.4907 298.9412 64.4665 96.5289 556909.3898 3.4134 3.3128 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500200 75.8333 107.786 -114.972 107.785 -46.3343 205.176 -114.972 205.174 -93.917 GPRESSURE: 1500200 103.385 14.5851 -77.7493 171.781 -64.3191 152.571 -68.5799 203.64 6.21447 PRESSAVG: 1500200 -30.2151 -13.0682 -13.6118 -13.0682 45.4928 1.68705 -13.6118 1.6871 -66.3896 GPRESSAVG: 1500200 -30.314 -15.3198 -13.0552 -13.2863 45.0018 -0.635382 -15.0939 3.44545 -65.4744 TIMING: 1500200 CPU: 4349.4, 0.00322498/step Wall: 4349.4, 0.00322498/step, 3.13522 hours remaining, 208.554688 MB of memory in use. ENERGY: 1500200 738.9444 2080.5398 1934.1032 109.8215 -206170.6477 17782.5792 0.0000 0.0000 34227.4390 -149297.2206 298.9167 -183524.6596 -149202.1442 298.6206 -21.4727 15.0935 557746.8386 -17.0373 -16.9289 LDB: ============= START OF LOAD BALANCING ============== 4352.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4352.79 LDB: =============== DONE WITH MIGRATION ================ 4352.79 LDB: ============= START OF LOAD BALANCING ============== 4353.08 LDB: Largest compute 4820 load 0.021805 is 18.5% of average load 0.117941 LDB: Average compute 0.001700 is 1.4% of average load 0.117941 LDB: TIME 4353.09 LOAD: AVG 0.117941 MAX 0.184255 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.227 MB LDB: TIME 4353.09 LOAD: AVG 0.117941 MAX 0.184255 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: TIME 4353.09 LOAD: AVG 0.117941 MAX 0.184255 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: ============== END OF LOAD BALANCING =============== 4353.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4353.09 PRESSURE: 1500400 -162.351 -45.4121 -157.208 -45.4115 -226.723 115.745 -157.207 115.745 -145.461 GPRESSURE: 1500400 -117.543 -87.2965 -133.953 -25.0486 -203.71 113.31 -151.232 186.649 -124.38 PRESSAVG: 1500400 -8.45925 -4.66195 -0.853656 -4.66192 6.92287 16.5177 -0.853676 16.5176 -0.282651 GPRESSAVG: 1500400 -7.58399 -2.37129 -0.00440646 -4.9905 7.24683 17.1403 -0.426371 14.1072 -1.40444 TIMING: 1500400 CPU: 4350, 0.00297215/step Wall: 4350, 0.00297215/step, 2.88926 hours remaining, 207.609375 MB of memory in use. ENERGY: 1500400 732.5093 2109.0812 1925.2207 121.2517 -205986.6218 17706.7007 0.0000 0.0000 34116.9753 -149274.8829 297.9520 -183391.8583 -149176.2463 298.6912 -178.1785 -148.5445 558480.1688 -0.6063 -0.5805 PRESSURE: 1500600 -78.4835 120.667 8.3337 120.666 95.2179 -110.455 8.33298 -110.455 -89.8618 GPRESSURE: 1500600 -96.8436 74.654 -9.92684 44.9931 106.371 -115.336 9.16771 -164.757 20.8835 PRESSAVG: 1500600 -2.40401 -5.91466 -0.155291 -5.9147 37.4932 -61.4173 -0.155333 -61.4173 -14.9871 GPRESSAVG: 1500600 -2.9303 -5.71618 -3.09141 -6.23893 37.5356 -64.6116 1.47311 -59.152 -14.2739 TIMING: 1500600 CPU: 4350.58, 0.00293384/step Wall: 4350.58, 0.00293384/step, 2.85186 hours remaining, 207.609375 MB of memory in use. ENERGY: 1500600 742.6842 2128.5695 1940.5663 98.9906 -206478.7387 18041.1440 0.0000 0.0000 34294.1383 -149232.6458 299.4992 -183526.7841 -149134.0488 299.5161 -24.3758 10.1370 557533.4338 6.7007 6.7771 PRESSURE: 1500800 -364.93 -4.24325 26.4596 -4.24359 -334.051 14.7962 26.4586 14.7961 -21.1957 GPRESSURE: 1500800 -301.828 76.098 66.6601 -109.999 -254.536 40.2412 59.9296 54.7588 -79.2333 PRESSAVG: 1500800 -6.00847 11.3562 51.32 11.3563 4.28776 -33.0462 51.32 -33.0463 12.5847 GPRESSAVG: 1500800 -5.02864 10.244 51.093 11.9335 4.02643 -31.0765 50.1347 -34.4957 11.9375 TIMING: 1500800 CPU: 4351.17, 0.0029367/step Wall: 4351.17, 0.0029367/step, 2.85447 hours remaining, 207.609375 MB of memory in use. ENERGY: 1500800 767.3006 2094.4538 1939.1753 112.8024 -205989.7070 17572.5050 0.0000 0.0000 34312.7698 -149190.7001 299.6620 -183503.4699 -149084.3819 300.0383 -240.0587 -211.8657 558166.6939 3.6213 3.6451 PRESSURE: 1501000 217.02 -137.536 30.0768 -137.534 -98.9251 116.367 30.0753 116.367 -239.68 GPRESSURE: 1501000 229.986 -144.109 48.0305 -161.221 -35.8495 129.028 -46.3686 115.054 -233.609 PRESSAVG: 1501000 41.8333 8.31746 14.5054 8.31742 -32.7137 36.3666 14.5054 36.3666 -10.0379 GPRESSAVG: 1501000 41.4244 9.77685 15.3626 8.46824 -33.6542 36.6819 15.376 36.5085 -9.00404 TIMING: 1501000 CPU: 4351.76, 0.00292038/step Wall: 4351.76, 0.00292038/step, 2.83845 hours remaining, 207.609375 MB of memory in use. ENERGY: 1501000 754.6402 2075.6439 1938.8965 116.8050 -206043.5488 17685.4425 0.0000 0.0000 34419.5690 -149052.5517 300.5947 -183472.1207 -148953.9782 299.4827 -40.5284 -13.1574 557019.0590 -0.3061 -0.4113 PRESSURE: 1501200 -86.5402 -3.17998 115.598 -3.17934 160.153 17.0671 115.599 17.0679 -171.589 GPRESSURE: 1501200 -56.1496 -10.5639 168.819 -18.8224 235.913 11.5091 56.4971 12.177 -170.531 PRESSAVG: 1501200 -5.98942 66.9048 58.7299 66.9049 -3.25006 -21.786 58.7299 -21.786 -28.781 GPRESSAVG: 1501200 -6.38509 66.1977 58.7083 64.8581 -1.51611 -23.2375 58.3843 -21.0988 -29.8011 TIMING: 1501200 CPU: 4352.33, 0.00287807/step Wall: 4352.33, 0.00287807/step, 2.79716 hours remaining, 207.609375 MB of memory in use. ENERGY: 1501200 705.6921 2147.7089 1968.4618 108.3679 -205976.3585 17618.8771 0.0000 0.0000 34228.1847 -149199.0661 298.9232 -183427.2508 -149098.9967 299.1539 -32.6587 3.0777 557822.8065 -12.6735 -12.5674 PRESSURE: 1501400 19.1512 -83.9507 164.963 -83.9516 57.5469 68.0607 164.963 68.0602 -43.7166 GPRESSURE: 1501400 45.3561 -142.281 109.097 -114.865 104.317 57.7856 179.654 85.6619 -18.7141 PRESSAVG: 1501400 -13.2992 23.7997 38.3947 23.7997 78.266 -1.15763 38.3947 -1.1576 -48.3324 GPRESSAVG: 1501400 -12.8636 23.4907 38.6129 24.5281 78.7095 0.977692 37.0772 -1.49677 -48.6656 TIMING: 1501400 CPU: 4352.91, 0.00287971/step Wall: 4352.91, 0.00287971/step, 2.7986 hours remaining, 207.609375 MB of memory in use. ENERGY: 1501400 720.0429 2153.7743 1936.3824 133.0819 -205949.9269 17632.8223 0.0000 0.0000 34208.7441 -149165.0790 298.7535 -183373.8230 -149067.4733 298.6817 10.9939 43.6529 556687.3724 5.5448 5.7267 PRESSURE: 1501600 195.299 -151.979 -109.443 -151.978 148.007 -131.645 -109.443 -131.646 -122.387 GPRESSURE: 1501600 245.564 -196.473 -135.761 -162.528 175.516 -150.536 -139.406 -30.435 -97.1916 PRESSAVG: 1501600 26.9101 -55.4835 13.0173 -55.4834 16.1437 23.4387 13.0172 23.4387 0.308009 GPRESSAVG: 1501600 27.237 -54.7384 13.2583 -54.0918 14.7723 23.7 15.2648 23.4506 1.93866 TIMING: 1501600 CPU: 4353.49, 0.00289767/step Wall: 4353.49, 0.00289766/step, 2.81589 hours remaining, 207.609375 MB of memory in use. ENERGY: 1501600 781.5368 2056.5429 1942.2992 121.0520 -206297.6811 17947.9885 0.0000 0.0000 34420.3372 -149027.9244 300.6014 -183448.2617 -148923.9607 299.8954 73.6395 107.9628 556602.3674 14.4539 14.6493 PRESSURE: 1501800 19.2477 -52.24 -39.653 -52.2416 -71.4373 -15.5289 -39.6534 -15.5278 258.252 GPRESSURE: 1501800 43.6205 -36.1826 -59.2198 -42.4827 11.7282 53.7939 6.51483 -19.8893 252.909 PRESSAVG: 1501800 71.9673 -20.3685 19.3339 -20.3686 -9.54905 18.6504 19.3339 18.6504 -38.0949 GPRESSAVG: 1501800 71.8207 -20.4207 18.4198 -21.9871 -8.40762 18.0288 17.2688 17.5828 -38.6868 TIMING: 1501800 CPU: 4354.07, 0.00290338/step Wall: 4354.07, 0.00290338/step, 2.82128 hours remaining, 207.609375 MB of memory in use. ENERGY: 1501800 718.3857 2137.7248 1925.5119 103.5129 -206042.9952 17722.6250 0.0000 0.0000 34418.1758 -149017.0592 300.5825 -183435.2349 -148920.2845 300.1311 68.6876 102.7527 557901.4285 8.1078 8.2421 PRESSURE: 1502000 -242.166 -13.2936 94.783 -13.2934 -85.2714 169.916 94.7845 169.916 186.397 GPRESSURE: 1502000 -162.284 52.1541 127.493 -67.786 -90.2546 169.461 149.932 137.621 222.013 PRESSAVG: 1502000 -55.6914 -4.8576 29.7565 -4.85745 -77.8166 -10.389 29.7565 -10.3889 107.5 GPRESSAVG: 1502000 -54.8899 -4.88618 31.5542 -3.61251 -79.8539 -10.0583 29.6015 -10.0585 108.241 TIMING: 1502000 CPU: 4354.64, 0.00289058/step Wall: 4354.64, 0.00289058/step, 2.80868 hours remaining, 207.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1502000 692.5325 2111.5709 1904.3005 112.2188 -205798.4403 17556.6827 0.0000 0.0000 34376.2220 -149044.9130 300.2161 -183421.1349 -148943.3537 300.2552 -47.0136 -10.1752 558514.9470 -8.6693 -8.8341 PRESSURE: 1502200 -117.025 -123.854 -31.658 -123.855 -79.5623 -106.704 -31.6573 -106.704 -6.25446 GPRESSURE: 1502200 -26.9122 -152.539 -15.8459 -145.44 -75.9253 -137.53 -56.3316 -68.0903 -5.45866 PRESSAVG: 1502200 5.86946 52.1884 26.9814 52.1885 -33.6514 55.8919 26.9813 55.8921 9.33014 GPRESSAVG: 1502200 5.82097 52.8403 27.6114 51.9566 -32.1931 55.2261 27.0434 55.3845 8.40893 TIMING: 1502200 CPU: 4355.23, 0.00290946/step Wall: 4355.23, 0.00290946/step, 2.82687 hours remaining, 207.609375 MB of memory in use. ENERGY: 1502200 752.9354 2083.3793 1931.7674 120.5821 -205850.3139 17669.0117 0.0000 0.0000 34369.6327 -148923.0053 300.1586 -183292.6380 -148828.2761 299.6984 -67.6138 -36.0987 557511.6258 -6.1506 -5.9877 PRESSURE: 1502400 -538.577 -12.7146 -113.351 -12.7126 -175.658 57.2448 -113.35 57.2443 -308.836 GPRESSURE: 1502400 -478.048 31.8056 -176.486 14.2614 -166.277 17.9811 -85.7129 80.2441 -280.677 PRESSAVG: 1502400 -40.699 72.6026 -33.8434 72.6026 73.9457 12.9487 -33.8434 12.9488 21.8881 GPRESSAVG: 1502400 -41.8412 71.107 -35.2885 73.7162 74.9036 13.2193 -33.0453 13.9766 21.9868 TIMING: 1502400 CPU: 4355.81, 0.00289757/step Wall: 4355.81, 0.00289757/step, 2.81515 hours remaining, 207.609375 MB of memory in use. ENERGY: 1502400 748.5650 2043.2723 1941.0834 110.0685 -205460.3793 17339.9822 0.0000 0.0000 34306.3385 -148971.0694 299.6058 -183277.4079 -148871.6886 300.0680 -341.0236 -308.3339 559720.1182 18.3783 18.3497 PRESSURE: 1502600 -6.06214 -55.2981 32.5392 -55.298 35.4996 35.6336 32.54 35.6315 192.134 GPRESSURE: 1502600 4.84657 -60.1779 12.916 -86.1016 35.7839 -8.70859 125.945 53.78 265.584 PRESSAVG: 1502600 -111.573 11.9809 -36.1821 11.9809 3.51372 -33.3312 -36.1821 -33.3312 109.753 GPRESSAVG: 1502600 -110.893 12.8013 -34.8724 10.0097 2.46291 -32.6579 -33.9894 -32.5424 109.91 TIMING: 1502600 CPU: 4356.39, 0.00292699/step Wall: 4356.39, 0.00292699/step, 2.84357 hours remaining, 207.609375 MB of memory in use. ENERGY: 1502600 696.5749 2062.4476 1922.3119 130.5671 -205946.6745 17834.5534 0.0000 0.0000 34376.4412 -148923.7784 300.2180 -183300.2196 -148820.1363 300.6920 73.8572 102.0716 558023.1078 0.5646 0.4934 PRESSURE: 1502800 102.16 -12.1656 -145.114 -12.1646 91.5005 -46.7388 -145.113 -46.7401 -119.139 GPRESSURE: 1502800 156.517 108.244 -123.484 -57.6824 156.18 -110.045 -208.91 68.8991 -143.865 PRESSAVG: 1502800 -23.1347 -21.9007 30.5532 -21.9008 -23.4438 -49.1939 30.5531 -49.194 -2.08934 GPRESSAVG: 1502800 -23.3515 -21.0921 29.1779 -20.6353 -23.9899 -48.5141 27.7404 -48.7177 -1.74226 TIMING: 1502800 CPU: 4356.97, 0.00291577/step Wall: 4356.97, 0.00291577/step, 2.83251 hours remaining, 207.609375 MB of memory in use. ENERGY: 1502800 728.0913 2110.3531 1941.4918 105.8738 -206287.2222 17831.5266 0.0000 0.0000 34477.4730 -149092.4124 301.1003 -183569.8854 -148994.7815 300.2399 24.8404 56.2774 558925.8361 -16.2226 -16.3612 PRESSURE: 1503000 -53.5979 178.617 -121.764 178.618 -293.605 -52.1619 -121.763 -52.1619 171.801 GPRESSURE: 1503000 -106.037 106.304 -36.6671 146.556 -216.006 -125.495 -135.034 21.9234 239.191 PRESSAVG: 1503000 25.4606 -4.3203 0.391617 -4.32034 -37.3563 -43.3722 0.391613 -43.3721 1.70251 GPRESSAVG: 1503000 26.2552 -3.77374 0.993557 -5.03731 -37.4819 -46.3479 2.03971 -41.9664 0.721641 TIMING: 1503000 CPU: 4357.56, 0.0029019/step Wall: 4357.56, 0.0029019/step, 2.81887 hours remaining, 207.609375 MB of memory in use. ENERGY: 1503000 730.8756 2066.3237 1941.2670 112.5401 -205824.5778 17555.3165 0.0000 0.0000 34341.0533 -149077.2016 299.9090 -183418.2549 -148980.8672 299.6792 -58.4670 -27.6174 559114.3133 -3.3977 -3.5017 PRESSURE: 1503200 -256.366 145.26 -15.7885 145.261 -196.297 61.0312 -15.7892 61.0324 -94.7698 GPRESSURE: 1503200 -154.413 125.619 -20.2878 160.873 -192.195 30.4336 -69.1146 66.4877 -96.5745 PRESSAVG: 1503200 20.2195 8.74068 42.9359 8.74069 -10.776 -26.7026 42.9358 -26.7025 -70.2925 GPRESSAVG: 1503200 19.8572 7.82179 41.9908 9.96815 -10.0677 -25.4722 42.0949 -29.6208 -70.4887 TIMING: 1503200 CPU: 4358.14, 0.00292505/step Wall: 4358.14, 0.00292505/step, 2.8412 hours remaining, 207.609375 MB of memory in use. ENERGY: 1503200 738.5088 2049.9764 1961.0138 107.9486 -205867.4304 17567.3560 0.0000 0.0000 34156.4953 -149286.1315 298.2972 -183442.6268 -149186.1643 299.3522 -182.4777 -147.7274 557504.3934 -20.2830 -20.2331 PRESSURE: 1503400 -341.696 -92.3752 -39.5082 -92.3749 -70.2149 -60.583 -39.5076 -60.5853 -275.214 GPRESSURE: 1503400 -295.431 -91.9304 -4.72521 -106.041 -52.0906 -143.59 -106.286 -126.339 -230.672 PRESSAVG: 1503400 28.3849 25.6076 21.7628 25.6077 24.952 20.081 21.7627 20.081 -45.1706 GPRESSAVG: 1503400 27.9715 25.9124 22.6765 24.2159 24.1789 22.0319 21.0627 19.6593 -43.9722 TIMING: 1503400 CPU: 4358.73, 0.00292871/step Wall: 4358.73, 0.00292871/step, 2.84459 hours remaining, 207.609375 MB of memory in use. ENERGY: 1503400 756.3654 2117.8949 1939.1093 113.5702 -205933.9324 17637.5785 0.0000 0.0000 34191.2665 -149178.1476 298.6008 -183369.4141 -149087.2036 299.3675 -229.0418 -192.7313 557862.8024 2.7221 2.7260 PRESSURE: 1503600 55.102 -159.642 -33.4354 -159.641 -1.64933 -36.7493 -33.4347 -36.7491 -56.7124 GPRESSURE: 1503600 27.2095 -129.657 -48.9693 -143.839 106.366 -5.37777 -26.5986 -116.334 -37.439 PRESSAVG: 1503600 -5.19471 5.08135 -34.397 5.08124 55.1147 25.668 -34.397 25.668 -66.1028 GPRESSAVG: 1503600 -5.15347 5.7521 -34.9051 6.1956 54.7352 24.1297 -34.791 26.2428 -66.2998 TIMING: 1503600 CPU: 4359.31, 0.00291606/step Wall: 4359.31, 0.00291606/step, 2.83214 hours remaining, 207.609375 MB of memory in use. ENERGY: 1503600 760.0317 2105.6743 1931.8302 117.3757 -206120.1564 17739.3232 0.0000 0.0000 34430.4056 -149035.5157 300.6893 -183465.9214 -148939.5401 299.9453 -1.0866 32.0456 557413.7423 -5.3943 -5.5727 PRESSURE: 1503800 106.341 -252.454 -71.924 -252.455 186.685 76.0447 -71.9235 76.0431 -81.3476 GPRESSURE: 1503800 156.939 -208.937 10.0043 -233.122 182.721 126.746 -136.248 81.5621 -22.6187 PRESSAVG: 1503800 24.6517 -36.7074 5.2066 -36.7074 47.4774 -10.6054 5.20658 -10.6054 -32.5013 GPRESSAVG: 1503800 23.9445 -37.0629 5.87476 -36.5265 47.646 -10.7478 4.3454 -10.2414 -32.4139 TIMING: 1503800 CPU: 4359.89, 0.00290123/step Wall: 4359.89, 0.00290123/step, 2.81758 hours remaining, 207.609375 MB of memory in use. ENERGY: 1503800 774.3309 2051.5180 1941.6663 110.5820 -206132.3575 17847.2271 0.0000 0.0000 34296.8632 -149110.1699 299.5230 -183407.0332 -149019.3986 299.9868 70.5594 105.6804 558446.5087 13.2093 13.0589 PRESSURE: 1504000 -109.75 -67.6751 54.2594 -67.6748 -77.6727 100.47 54.2592 100.472 -62.2779 GPRESSURE: 1504000 -27.0889 -106.094 41.9025 -34.2053 -55.5367 40.8488 44.2801 123.844 -60.0902 PRESSAVG: 1504000 44.6742 -28.3447 3.79559 -28.3448 -6.41046 49.1827 3.79555 49.1828 -81.1514 GPRESSAVG: 1504000 44.0423 -27.5755 2.35077 -29.4481 -6.62012 50.0374 6.46563 49.0057 -80.2628 TIMING: 1504000 CPU: 4360.47, 0.00289597/step Wall: 4360.47, 0.00289597/step, 2.81231 hours remaining, 207.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1504000 758.3868 2078.4893 1929.4730 109.0370 -205992.6686 17641.8799 0.0000 0.0000 34529.5284 -148945.8744 301.5550 -183475.4027 -148850.9964 299.5505 -83.2335 -47.5719 558296.4882 -14.2959 -14.2802 PRESSURE: 1504200 -51.048 107.522 -39.4059 107.52 -232.829 192.111 -39.4066 192.113 -139.259 GPRESSURE: 1504200 22.7429 140.495 -2.93326 -2.10903 -271.887 245.45 -67.6364 180.413 -81.1308 PRESSAVG: 1504200 36.9416 -21.9993 0.894558 -21.9995 -13.7106 75.809 0.89468 75.8089 -28.2853 GPRESSAVG: 1504200 38.4004 -21.9351 1.13927 -22.3608 -13.7957 77.2336 0.901583 73.0712 -30.1091 TIMING: 1504200 CPU: 4361.05, 0.00289728/step Wall: 4361.05, 0.00289728/step, 2.81342 hours remaining, 207.609375 MB of memory in use. ENERGY: 1504200 743.1234 2072.4073 1929.5058 113.1503 -205866.1432 17733.8029 0.0000 0.0000 34460.2427 -148813.9108 300.9499 -183274.1534 -148705.9748 300.3404 -141.0451 -110.0916 558815.4772 -1.6848 -1.8348 LDB: ============= START OF LOAD BALANCING ============== 4364.43 LDB: ============== END OF LOAD BALANCING =============== 4364.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4364.43 LDB: ============= START OF LOAD BALANCING ============== 4364.72 LDB: Largest compute 4820 load 0.023130 is 19.6% of average load 0.118078 LDB: Average compute 0.001704 is 1.4% of average load 0.118078 LDB: TIME 4364.73 LOAD: AVG 0.118078 MAX 0.186646 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.176 MB LDB: TIME 4364.73 LOAD: AVG 0.118078 MAX 0.186646 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: TIME 4364.73 LOAD: AVG 0.118078 MAX 0.186646 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4364.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4364.73 PRESSURE: 1504400 -187.075 55.0745 -2.51733 55.0757 -82.8952 20.9696 -2.51581 20.9706 194.862 GPRESSURE: 1504400 -134.285 37.6713 42.5742 117.627 -21.919 28.017 -55.1992 28.9208 180.081 PRESSAVG: 1504400 7.01349 -12.9198 -66.385 -12.9197 24.0603 40.8308 -66.3849 40.8309 -53.1733 GPRESSAVG: 1504400 7.00267 -11.8964 -67.1492 -11.1039 23.5793 39.3688 -67.1855 41.8902 -52.4359 TIMING: 1504400 CPU: 4361.64, 0.00294116/step Wall: 4361.64, 0.00294116/step, 2.85586 hours remaining, 210.410156 MB of memory in use. ENERGY: 1504400 755.7953 2095.9621 1938.3121 120.0687 -205960.7286 17694.2290 0.0000 0.0000 34200.1293 -149156.2320 298.6782 -183356.3613 -149057.7787 299.8506 -25.0361 7.9589 558355.2236 -7.3665 -7.2846 PRESSURE: 1504600 84.4211 42.8146 39.1953 42.8153 235.142 -70.2122 39.1955 -70.2131 268.955 GPRESSURE: 1504600 81.1967 -36.5239 54.0393 110.926 311.488 19.5428 5.59478 -58.0727 308.134 PRESSAVG: 1504600 1.91548 0.085417 -22.4703 0.0853851 -32.1504 25.3812 -22.4703 25.3813 -8.74742 GPRESSAVG: 1504600 1.09233 -2.40557 -18.8343 -1.55073 -31.2726 25.4269 -23.6669 25.0099 -8.69395 TIMING: 1504600 CPU: 4362.22, 0.00290897/step Wall: 4362.22, 0.00290897/step, 2.82445 hours remaining, 210.480469 MB of memory in use. ENERGY: 1504600 726.0960 2075.1475 1932.8432 108.0497 -206690.2863 18235.5659 0.0000 0.0000 34419.7229 -149192.8611 300.5960 -183612.5840 -149090.1088 300.5108 196.1730 233.6063 556758.9114 -12.9941 -12.9581 PRESSURE: 1504800 54.3976 -51.8261 111.382 -51.8264 -270.705 127.878 111.381 127.879 -110.529 GPRESSURE: 1504800 9.49478 -67.5626 128.051 15.4457 -202.376 79.2045 81.2722 206.19 -52.5117 PRESSAVG: 1504800 26.2112 -11.4139 -8.14765 -11.414 -49.7857 45.6254 -8.14765 45.6254 4.56951 GPRESSAVG: 1504800 26.0104 -9.30443 -10.3512 -10.0881 -48.9902 45.673 -7.40161 47.1884 3.2848 TIMING: 1504800 CPU: 4362.8, 0.0028852/step Wall: 4362.8, 0.0028852/step, 2.80121 hours remaining, 210.480469 MB of memory in use. ENERGY: 1504800 736.8630 2023.2058 1937.9474 98.2185 -206042.6004 17674.7579 0.0000 0.0000 34265.0674 -149306.5404 299.2454 -183571.6078 -149208.4949 299.5854 -108.9457 -81.7976 558723.7892 -6.3350 -6.5650 PRESSURE: 1505000 237.476 -70.6065 -47.6259 -70.6066 -96.6381 81.9112 -47.6263 81.9097 -85.1896 GPRESSURE: 1505000 244.198 -7.2724 -102.215 -34.3209 3.19155 -14.1884 -65.1973 135.365 -95.7673 PRESSAVG: 1505000 42.6509 17.4836 -14.7949 17.4836 -24.1589 -51.8115 -14.7949 -51.8115 -55.3243 GPRESSAVG: 1505000 43.3524 15.1094 -16.4132 18.4755 -25.3745 -48.7425 -11.0831 -53.8118 -54.7571 TIMING: 1505000 CPU: 4363.37, 0.00289645/step Wall: 4363.37, 0.00289645/step, 2.81197 hours remaining, 210.480469 MB of memory in use. ENERGY: 1505000 750.3700 2101.8244 1951.3500 104.1195 -206396.6275 17865.0267 0.0000 0.0000 34293.2912 -149330.6456 299.4918 -183623.9368 -149236.0841 298.6339 18.5494 50.5408 558313.3929 -12.2775 -12.2597 PRESSURE: 1505200 142.683 -28.64 -12.2645 -28.6402 101.698 13.4845 -12.264 13.4841 6.82099 GPRESSURE: 1505200 174.894 -136.628 -7.28077 -17.0005 62.124 -3.91609 17.6853 67.8244 109.333 PRESSAVG: 1505200 80.0794 30.246 -8.54942 30.2461 -44.6353 22.512 -8.54933 22.512 -12.7811 GPRESSAVG: 1505200 80.0754 29.9007 -7.43245 28.7947 -44.6719 19.4849 -9.89647 23.3969 -12.904 TIMING: 1505200 CPU: 4363.95, 0.00289827/step Wall: 4363.95, 0.00289827/step, 2.81357 hours remaining, 210.480469 MB of memory in use. ENERGY: 1505200 720.5439 2006.6885 1953.4072 121.2208 -206405.1678 18044.6930 0.0000 0.0000 34157.0717 -149401.5428 298.3022 -183558.6144 -149305.2703 298.7999 83.7340 115.4503 558174.3821 7.5543 7.4998 PRESSURE: 1505400 -113.48 -50.2258 -59.84 -50.225 -137.431 -61.9656 -59.8388 -61.9665 101.544 GPRESSURE: 1505400 -79.9623 -72.758 -79.5751 3.83811 -97.9129 -96.4934 -65.9897 -2.96815 130.14 PRESSAVG: 1505400 41.4849 1.79084 -37.6816 1.79078 -85.2872 -2.75423 -37.6816 -2.75418 38.6427 GPRESSAVG: 1505400 40.0305 1.66956 -37.4234 4.34098 -85.3621 -3.33879 -39.8315 -1.91004 39.9401 TIMING: 1505400 CPU: 4364.54, 0.00290626/step Wall: 4364.54, 0.00290626/step, 2.82117 hours remaining, 210.480469 MB of memory in use. ENERGY: 1505400 721.3238 2032.0675 1946.0641 104.5437 -206315.4302 17841.0735 0.0000 0.0000 34285.1462 -149385.2115 299.4207 -183670.3577 -149288.3966 298.1255 -49.7890 -15.9116 558659.1870 -1.7198 -1.7971 PRESSURE: 1505600 -14.4973 -12.9903 77.0064 -12.9908 -220.617 -38.9059 77.0067 -38.9063 -18.7995 GPRESSURE: 1505600 58.1047 30.1165 56.5503 -58.1352 -218.142 -84.9993 140.309 2.17379 2.35646 PRESSAVG: 1505600 58.3845 -34.6884 -31.0389 -34.6882 -37.8533 -17.3027 -31.0388 -17.3026 29.8192 GPRESSAVG: 1505600 61.0817 -30.8591 -31.6418 -37.9469 -38.1794 -15.0769 -29.8036 -17.456 26.9144 TIMING: 1505600 CPU: 4365.12, 0.00289987/step Wall: 4365.12, 0.00289987/step, 2.8148 hours remaining, 210.480469 MB of memory in use. ENERGY: 1505600 792.4285 2145.1141 1949.3392 108.5778 -206368.7690 17908.4374 0.0000 0.0000 34058.9230 -149405.9491 297.4450 -183464.8721 -149314.1357 298.4067 -84.6378 -52.5601 558831.5559 16.7835 16.6056 PRESSURE: 1505800 -324.618 43.2592 59.3971 43.2579 -137.94 -65.9673 59.3963 -65.9673 15.3249 GPRESSURE: 1505800 -273.255 79.3554 37.5824 -23.7838 -146.651 -29.0277 100.249 -62.4849 65.0603 PRESSAVG: 1505800 16.4025 27.401 -28.9964 27.4011 -25.7427 -56.8623 -28.9965 -56.8624 18.9314 GPRESSAVG: 1505800 15.6715 24.8335 -27.7271 28.7181 -25.5633 -58.5454 -29.9278 -57.3331 19.7324 TIMING: 1505800 CPU: 4365.69, 0.00287756/step Wall: 4365.69, 0.00287756/step, 2.79299 hours remaining, 210.480469 MB of memory in use. ENERGY: 1505800 700.4302 2073.8667 1934.8565 105.3251 -205951.0427 17535.8946 0.0000 0.0000 34186.5579 -149414.1117 298.5597 -183600.6695 -149319.5545 298.4756 -149.0779 -118.2818 558833.9610 3.1970 3.2802 PRESSURE: 1506000 -129.612 -100.378 -38.509 -100.378 -56.4412 -79.8918 -38.5081 -79.8931 171.098 GPRESSURE: 1506000 -76.4815 -80.0517 -29.3286 -107.88 8.70156 -136.272 -97.3846 -91.9788 144.279 PRESSAVG: 1506000 -20.9817 10.5243 7.98018 10.5243 -41.5222 33.9579 7.98012 33.958 30.4261 GPRESSAVG: 1506000 -21.771 10.8217 9.20766 11.8618 -40.9141 33.5677 7.93014 34.1345 30.349 TIMING: 1506000 CPU: 4366.27, 0.00290826/step Wall: 4366.27, 0.00290826/step, 2.82263 hours remaining, 210.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1506000 721.6846 2069.5662 1963.0086 118.5361 -206090.3733 17726.3435 0.0000 0.0000 34261.5895 -149229.6448 299.2150 -183491.2343 -149134.5146 298.6307 -4.9849 25.4997 558175.8629 -10.6926 -10.7787 PRESSURE: 1506200 96.6359 26.6892 -4.47761 26.6889 -58.7946 -151.887 -4.47705 -151.887 -103.606 GPRESSURE: 1506200 88.2756 31.4907 13.7778 38.8561 -30.5662 -134.549 -13.9724 -177.04 -24.3415 PRESSAVG: 1506200 47.2605 4.47789 25.2913 4.47789 -22.8689 12.5145 25.2914 12.5147 -14.6817 GPRESSAVG: 1506200 48.3155 5.19876 24.3962 2.57325 -23.7813 13.1419 25.8381 12.6958 -14.7361 TIMING: 1506200 CPU: 4366.85, 0.00289911/step Wall: 4366.85, 0.00289911/step, 2.81358 hours remaining, 210.480469 MB of memory in use. ENERGY: 1506200 778.6485 2044.2207 1926.7694 104.9666 -205840.7175 17721.6081 0.0000 0.0000 34138.2946 -149126.2095 298.1382 -183264.5041 -149035.4128 299.2838 -21.9215 11.1226 558577.7172 3.2366 3.2660 PRESSURE: 1506400 74.6365 -25.6028 -174.139 -25.6021 -39.2123 -58.4698 -174.139 -58.4697 -18.7597 GPRESSURE: 1506400 50.149 -9.5355 -161.827 -19.0865 -3.06753 -106.229 -153.415 -68.8802 61.8745 PRESSAVG: 1506400 46.3405 -64.3738 -6.08727 -64.3739 0.907693 -18.9094 -6.08723 -18.9093 -11.6279 GPRESSAVG: 1506400 45.2708 -63.4913 -6.48335 -64.0687 1.1634 -20.863 -6.36652 -17.4981 -10.8357 TIMING: 1506400 CPU: 4367.43, 0.00290491/step Wall: 4367.43, 0.00290491/step, 2.81905 hours remaining, 210.480469 MB of memory in use. ENERGY: 1506400 734.8118 2075.3386 1910.3863 113.2164 -205823.1139 17658.5273 0.0000 0.0000 34370.0233 -148960.8102 300.1620 -183330.8336 -148862.0744 299.5960 5.5548 36.3187 557581.9649 11.8734 11.8661 PRESSURE: 1506600 188.426 17.0882 120.155 17.0883 -137.566 -13.5176 120.155 -13.518 -140.832 GPRESSURE: 1506600 242.371 -34.2987 161.25 13.129 -117.771 -33.1131 67.9701 26.7669 -121.234 PRESSAVG: 1506600 38.1175 12.9965 -28.5102 12.9964 -79.7154 2.4159 -28.5103 2.41605 37.8438 GPRESSAVG: 1506600 37.8918 10.3218 -27.9755 12.6499 -80.0082 3.5137 -29.3802 0.962311 37.6742 TIMING: 1506600 CPU: 4368.02, 0.00292243/step Wall: 4368.02, 0.00292243/step, 2.83589 hours remaining, 210.480469 MB of memory in use. ENERGY: 1506600 735.9693 2035.7264 1941.4653 110.4730 -206181.6084 17896.3035 0.0000 0.0000 34444.3773 -149017.2936 300.8113 -183461.6709 -148920.8226 299.7428 -29.9907 1.1220 557953.9093 -1.2514 -1.4807 PRESSURE: 1506800 202.327 59.8088 30.982 59.8093 25.4699 15.9975 30.9823 15.9973 -53.244 GPRESSURE: 1506800 241.579 83.8406 19.2539 41.1536 75.9402 117.97 -59.7562 -73.839 -53.4636 PRESSAVG: 1506800 86.0036 -11.3114 -37.6868 -11.3115 -87.4059 13.2044 -37.6868 13.2043 -30.1604 GPRESSAVG: 1506800 86.1652 -10.5029 -38.3025 -9.68334 -87.669 13.3007 -38.6153 12.6199 -29.9274 TIMING: 1506800 CPU: 4368.6, 0.0029154/step Wall: 4368.6, 0.0029154/step, 2.82891 hours remaining, 210.480469 MB of memory in use. ENERGY: 1506800 706.5726 2085.8074 1954.3439 117.3224 -206258.8430 17946.1022 0.0000 0.0000 34477.5769 -148971.1176 301.1013 -183448.6945 -148875.4011 299.9260 58.1843 88.0187 558754.8716 -10.5209 -10.4771 PRESSURE: 1507000 161.81 35.3087 108.334 35.3085 -29.3027 141.171 108.334 141.17 94.4447 GPRESSURE: 1507000 140.177 -13.8927 116.595 128.371 72.2414 101.341 138.987 127.87 100.617 PRESSAVG: 1507000 -41.3883 27.6659 -12.3661 27.6658 3.12011 -43.059 -12.3662 -43.059 58.5868 GPRESSAVG: 1507000 -38.8364 27.3089 -12.4772 26.8745 2.94578 -41.5599 -10.8896 -42.5772 56.5976 TIMING: 1507000 CPU: 4369.18, 0.00290843/step Wall: 4369.18, 0.00290843/step, 2.82199 hours remaining, 210.480469 MB of memory in use. ENERGY: 1507000 715.0993 2110.4788 1879.7804 107.4563 -206564.4431 18121.7067 0.0000 0.0000 34557.1151 -149072.8065 301.7959 -183629.9216 -148976.9495 299.9357 75.6505 104.3450 560001.0439 6.7729 6.9023 PRESSURE: 1507200 -85.2249 -6.44467 117.111 -6.44448 -163.432 105.397 117.11 105.397 -412.66 GPRESSURE: 1507200 -86.6491 -41.6424 64.4129 42.5382 -150.485 91.7629 113.538 7.87468 -333.727 PRESSAVG: 1507200 10.6476 -9.35332 30.7278 -9.35328 3.2916 -44.0611 30.7277 -44.0611 -41.9079 GPRESSAVG: 1507200 9.40439 -5.9945 30.4055 -11.9805 3.90511 -44.7609 30.5361 -44.59 -41.2273 TIMING: 1507200 CPU: 4369.77, 0.00291624/step Wall: 4369.77, 0.00291624/step, 2.8294 hours remaining, 210.480469 MB of memory in use. ENERGY: 1507200 754.2358 2086.4938 1923.7537 107.7488 -205830.0682 17483.7007 0.0000 0.0000 34405.7258 -149068.4096 300.4738 -183474.1354 -148973.5536 299.3249 -220.4391 -190.2870 558707.9898 -9.3229 -9.3059 PRESSURE: 1507400 67.5112 -117.126 -53.0895 -117.125 -264.865 -121.543 -53.0903 -121.545 107.974 GPRESSURE: 1507400 135.444 -120.266 -74.4728 -195.114 -218.558 -58.849 11.0788 -168.584 99.8796 PRESSAVG: 1507400 31.4318 -36.1758 -14.5904 -36.1758 -77.4994 6.52061 -14.5904 6.52071 13.6586 GPRESSAVG: 1507400 31.2991 -38.5676 -16.0713 -33.4777 -76.8318 4.82969 -14.4062 6.53778 13.4345 TIMING: 1507400 CPU: 4370.35, 0.00291076/step Wall: 4370.35, 0.00291076/step, 2.82392 hours remaining, 210.480469 MB of memory in use. ENERGY: 1507400 753.1830 2050.3649 1925.6866 116.4795 -206129.8179 17851.1757 0.0000 0.0000 34376.4029 -149056.5254 300.2177 -183432.9283 -148957.6993 300.2192 -29.7934 5.5884 556164.8843 -10.8030 -10.6994 PRESSURE: 1507600 32.2968 -139.538 121.893 -139.538 -123.682 -82.3222 121.893 -82.3222 -301.197 GPRESSURE: 1507600 37.2271 -157.323 112.927 -208.576 -86.9592 -5.3356 137.218 -131.748 -254.665 PRESSAVG: 1507600 52.0258 5.73411 -17.0534 5.73407 -68.7696 -4.96162 -17.0534 -4.96171 27.9077 GPRESSAVG: 1507600 52.0861 4.59174 -15.3976 4.67451 -69.579 -2.63184 -16.9862 -6.1034 28.5623 TIMING: 1507600 CPU: 4370.93, 0.00291491/step Wall: 4370.93, 0.00291491/step, 2.82778 hours remaining, 210.480469 MB of memory in use. ENERGY: 1507600 763.9769 2124.5581 1928.9899 109.5938 -206097.7652 17652.6935 0.0000 0.0000 34204.0273 -149313.9256 298.7123 -183517.9529 -149218.4152 299.5152 -130.8605 -101.4658 557921.2880 3.7213 3.6898 PRESSURE: 1507800 55.2632 -26.0522 64.9282 -26.0514 -338.229 -80.8655 64.9275 -80.8653 -149.25 GPRESSURE: 1507800 127.671 -65.6911 47.9548 -22.1995 -379.332 -80.0537 -30.043 6.42169 -85.2831 PRESSAVG: 1507800 76.834 20.892 -25.1741 20.892 -45.8337 -18.5021 -25.1741 -18.502 -25.5255 GPRESSAVG: 1507800 78.8154 23.759 -24.6682 19.3409 -47.2763 -18.297 -25.7807 -17.4972 -25.9406 TIMING: 1507800 CPU: 4371.51, 0.00290986/step Wall: 4371.51, 0.00290986/step, 2.82273 hours remaining, 210.480469 MB of memory in use. ENERGY: 1507800 735.5273 2122.8149 1953.1292 108.4444 -206223.4259 17703.1631 0.0000 0.0000 34201.4506 -149398.8964 298.6898 -183600.3469 -149298.3464 299.7243 -144.0721 -112.3148 556300.1929 1.8249 1.8661 PRESSURE: 1508000 406.621 -29.9383 35.4704 -29.938 88.962 -68.9263 35.4689 -68.9253 394.431 GPRESSURE: 1508000 431.628 -105.256 81.5826 -95.445 84.6559 -28.5268 11.8246 -88.3391 468.249 PRESSAVG: 1508000 24.9424 3.37399 4.95608 3.37409 -15.6721 -29.4236 4.95597 -29.4236 17.8287 GPRESSAVG: 1508000 23.8998 2.03956 5.36148 4.83947 -14.6012 -31.3666 4.6746 -29.2882 18.0596 TIMING: 1508000 CPU: 4372.09, 0.00288807/step Wall: 4372.09, 0.00288807/step, 2.80143 hours remaining, 210.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1508000 753.7994 2115.8347 1946.0753 118.0836 -206806.9281 18278.8339 0.0000 0.0000 34168.6748 -149425.6264 298.4035 -183594.3012 -149333.2668 298.3107 296.6713 328.1778 555716.8091 9.0330 9.1194 PRESSURE: 1508200 15.7237 -15.0337 16.5844 -15.035 66.2725 -205.687 16.5851 -205.688 41.891 GPRESSURE: 1508200 43.0759 -39.4699 33.4622 -44.331 160.908 -175.612 -21.566 -184.593 22.772 PRESSAVG: 1508200 27.2155 23.8983 -47.2551 23.8981 2.08218 -61.6894 -47.2551 -61.6893 27.3751 GPRESSAVG: 1508200 26.9358 22.7663 -47.7595 23.1372 1.6517 -63.8937 -46.9921 -60.464 27.8543 TIMING: 1508200 CPU: 4372.67, 0.0028916/step Wall: 4372.67, 0.0028916/step, 2.80469 hours remaining, 210.480469 MB of memory in use. ENERGY: 1508200 796.1026 2088.0596 1952.6965 113.7276 -206894.0202 18209.3054 0.0000 0.0000 34302.4759 -149431.6526 299.5721 -183734.1285 -149335.0424 299.1044 41.2957 75.5851 557037.2230 18.8909 18.8140 LDB: ============= START OF LOAD BALANCING ============== 4376.05 LDB: ============== END OF LOAD BALANCING =============== 4376.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4376.06 LDB: ============= START OF LOAD BALANCING ============== 4376.35 LDB: Largest compute 4792 load 0.023119 is 19.6% of average load 0.117967 LDB: Average compute 0.001712 is 1.5% of average load 0.117967 LDB: TIME 4376.35 LOAD: AVG 0.117967 MAX 0.181431 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.762 MB LDB: TIME 4376.35 LOAD: AVG 0.117967 MAX 0.181431 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.762 MB LDB: TIME 4376.35 LOAD: AVG 0.117967 MAX 0.181431 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4376.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4376.36 PRESSURE: 1508400 232.96 -93.0289 43.9743 -93.0297 96.9478 138.65 43.9742 138.65 -96.6245 GPRESSURE: 1508400 278.483 36.5161 59.5728 -117.566 121.015 100.181 64.3471 173.393 -75.4198 PRESSAVG: 1508400 68.4453 7.71884 -16.9364 7.71883 -6.44764 -74.3166 -16.9364 -74.3166 -67.7724 GPRESSAVG: 1508400 68.129 9.11972 -17.4139 7.44913 -6.34765 -70.2576 -15.3681 -75.6044 -67.7309 TIMING: 1508400 CPU: 4373.26, 0.00295326/step Wall: 4373.26, 0.00295326/step, 2.86434 hours remaining, 209.277344 MB of memory in use. ENERGY: 1508400 741.4496 2119.6000 1944.7281 110.4121 -206287.3012 17813.1511 0.0000 0.0000 34080.7467 -149477.2135 297.6356 -183557.9602 -149384.9785 298.4940 77.7610 108.0263 555590.9784 -1.9249 -1.9832 PRESSURE: 1508600 17.9565 72.7348 -232.74 72.7333 -73.5511 -94.0719 -232.741 -94.0728 155.07 GPRESSURE: 1508600 43.6702 107.455 -228.896 75.5657 11.5734 -72.7716 -279.978 -108.537 139.117 PRESSAVG: 1508600 20.8525 -10.4595 52.6275 -10.4596 -47.303 -1.67849 52.6276 -1.67849 51.7641 GPRESSAVG: 1508600 21.1316 -11.2281 52.7142 -10.5307 -47.7586 -4.8695 51.5025 -0.978589 51.9546 TIMING: 1508600 CPU: 4373.84, 0.002896/step Wall: 4373.84, 0.002896/step, 2.80864 hours remaining, 209.703125 MB of memory in use. ENERGY: 1508600 781.0014 2078.9015 1942.0973 106.2510 -206567.1460 18021.9611 0.0000 0.0000 34147.5219 -149489.4119 298.2188 -183636.9338 -149395.7241 299.0141 33.1585 64.7868 556439.9427 8.4379 8.4425 PRESSURE: 1508800 180.817 29.4273 -123.158 29.4283 -5.46783 4.237 -123.156 4.23496 82.5749 GPRESSURE: 1508800 247.618 47.8053 -73.2166 41.927 12.836 19.6707 -165.659 -52.6339 105.346 PRESSAVG: 1508800 -35.0424 -42.8959 9.08519 -42.8959 13.5608 0.728503 9.08512 0.728412 30.2956 GPRESSAVG: 1508800 -35.2416 -42.901 10.4365 -40.8315 13.3411 1.36791 8.22144 0.777418 30.4916 TIMING: 1508800 CPU: 4374.42, 0.00291482/step Wall: 4374.42, 0.00291482/step, 2.82672 hours remaining, 209.703125 MB of memory in use. ENERGY: 1508800 706.2457 2146.4896 1935.3146 113.2732 -206101.6801 17709.3077 0.0000 0.0000 34170.9126 -149320.1367 298.4231 -183491.0493 -149228.5496 298.9462 85.9747 121.9333 555835.7201 2.9380 2.8637 PRESSURE: 1509000 -93.8888 102.087 -30.0571 102.087 126.635 -20.3573 -30.0584 -20.3589 206.672 GPRESSURE: 1509000 -30.0202 173.433 27.2617 81.8478 146.965 9.55891 1.26736 -49.3362 222.035 PRESSAVG: 1509000 63.2833 -3.35759 -5.65668 -3.35757 -80.1693 -6.99082 -5.65667 -6.99099 45.5945 GPRESSAVG: 1509000 63.2819 -5.51273 -8.71987 -5.11485 -79.9479 -7.8368 -3.89106 -7.05339 45.8249 TIMING: 1509000 CPU: 4375, 0.00291415/step Wall: 4375, 0.00291415/step, 2.82592 hours remaining, 209.703125 MB of memory in use. ENERGY: 1509000 696.7358 2107.2251 1932.6835 110.5310 -206449.8299 17878.1102 0.0000 0.0000 34385.8318 -149338.7124 300.3000 -183724.5442 -149247.3361 299.1311 79.8059 112.9934 557509.2990 9.5695 9.7196 PRESSURE: 1509200 -110.428 -127.651 23.9772 -127.651 -172.731 75.7658 23.9774 75.7663 -168.229 GPRESSURE: 1509200 -78.9927 -32.1396 14.4131 -109.76 -128.117 83.1041 54.2289 114.855 -136.799 PRESSAVG: 1509200 45.6394 9.66925 -58.7392 9.66921 -103.719 -6.48773 -58.7392 -6.4877 50.5973 GPRESSAVG: 1509200 45.3677 12.1234 -57.8072 10.6015 -103.395 -5.64738 -58.6181 -6.2514 50.4596 TIMING: 1509200 CPU: 4375.59, 0.00293237/step Wall: 4375.59, 0.00293237/step, 2.84342 hours remaining, 209.945312 MB of memory in use. ENERGY: 1509200 782.5049 2098.2870 1953.2248 114.6010 -206358.3312 17738.1823 0.0000 0.0000 34482.6258 -149188.9053 301.1453 -183671.5311 -149088.7748 299.0934 -150.4625 -114.6363 558490.1361 -2.4940 -2.5226 PRESSURE: 1509400 164.933 -25.5812 -47.8565 -25.5825 -24.394 62.9987 -47.8554 62.9992 -79.6718 GPRESSURE: 1509400 204.709 -22.5224 -35.8923 -68.6998 11.7674 99.1772 -54.4539 135.015 -73.7242 PRESSAVG: 1509400 42.1486 -47.6715 -9.33598 -47.6715 -6.5034 27.7356 -9.336 27.7356 -83.9433 GPRESSAVG: 1509400 41.9182 -48.5955 -8.76124 -47.995 -5.91326 27.1051 -13.1229 26.6647 -84.3797 TIMING: 1509400 CPU: 4376.18, 0.00293201/step Wall: 4376.18, 0.00293201/step, 2.84291 hours remaining, 209.945312 MB of memory in use. ENERGY: 1509400 718.4673 2086.7064 1961.8116 108.5410 -206373.5225 18042.1456 0.0000 0.0000 34101.5501 -149354.3004 297.8173 -183455.8505 -149258.5379 299.5273 20.2891 47.5840 560678.9021 -16.0994 -16.1249 PRESSURE: 1509600 -318.231 -21.3929 -24.2719 -21.3925 -77.0988 67.1251 -24.272 67.1263 -396.9 GPRESSURE: 1509600 -277.579 -21.4722 -65.7287 24.3448 -47.8501 -6.0994 47.401 145.135 -376.39 PRESSAVG: 1509600 18.5631 1.89018 26.851 1.8902 -19.8756 18.2802 26.851 18.2801 -18.3059 GPRESSAVG: 1509600 18.6195 2.99535 26.5973 0.528832 -20.5931 18.2632 28.7478 21.2257 -18.0334 TIMING: 1509600 CPU: 4376.76, 0.00292278/step Wall: 4376.76, 0.00292278/step, 2.8338 hours remaining, 209.945312 MB of memory in use. ENERGY: 1509600 736.7796 2049.9626 1935.4415 103.2639 -205929.7104 17495.1791 0.0000 0.0000 34383.9287 -149225.1550 300.2834 -183609.0837 -149135.2908 299.0773 -264.0763 -233.9398 560830.8163 -6.5394 -6.6690 PRESSURE: 1509800 0.389696 18.4008 -148.254 18.3998 37.4512 -152.04 -148.255 -152.041 -156.865 GPRESSURE: 1509800 69.3363 -5.54073 -165.466 17.4168 59.5904 -127.483 -67.9424 -149.445 -149.789 PRESSAVG: 1509800 41.7824 2.11931 12.5016 2.11928 2.66496 1.14755 12.5015 1.14754 -37.9064 GPRESSAVG: 1509800 40.5598 1.78759 10.6877 3.40432 2.73066 2.6243 13.7008 -1.54808 -36.9344 TIMING: 1509800 CPU: 4377.35, 0.00292117/step Wall: 4377.35, 0.00292117/step, 2.83208 hours remaining, 209.945312 MB of memory in use. ENERGY: 1509800 733.5631 2048.4102 1942.6596 113.3962 -206172.2956 17779.1612 0.0000 0.0000 34207.8685 -149347.2367 298.7458 -183555.1051 -149253.6765 299.3084 -39.6746 -6.9543 559672.5457 2.1803 2.1187 PRESSURE: 1510000 78.1287 32.5999 8.43713 32.6004 8.46905 -144.405 8.43634 -144.404 9.10302 GPRESSURE: 1510000 115.467 -54.7257 37.0209 99.1556 27.9124 -79.9382 -50.7515 -150.608 53.8004 PRESSAVG: 1510000 57.5952 66.6842 5.28575 66.6842 66.6912 -53.6329 5.28581 -53.633 -71.0404 GPRESSAVG: 1510000 58.7825 67.0372 6.06356 67.1192 67.534 -54.2735 4.97689 -52.9384 -72.535 TIMING: 1510000 CPU: 4377.93, 0.00289833/step Wall: 4377.93, 0.00289833/step, 2.80977 hours remaining, 209.945312 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: 1510000 722.3018 2066.3957 1953.1625 114.7044 -206166.0571 17867.8680 0.0000 0.0000 34246.4054 -149195.2193 299.0824 -183441.6247 -149101.2287 299.2521 31.9003 65.7266 559043.3380 17.7487 17.9272 PRESSURE: 1510200 -166.678 242.97 -38.2895 242.97 -285.446 16.3505 -38.2891 16.3495 -409.746 GPRESSURE: 1510200 -148.859 315.279 6.38113 180.536 -280.589 -8.18587 -87.7439 55.2465 -358.004 PRESSAVG: 1510200 -0.974151 90.0843 20.7995 90.0844 33.1884 29.6644 20.7994 29.6643 -46.1835 GPRESSAVG: 1510200 -0.646468 89.0672 21.7068 87.8879 32.5457 30.1383 19.1918 27.8277 -45.6631 TIMING: 1510200 CPU: 4378.51, 0.00291368/step Wall: 4378.51, 0.00291368/step, 2.82449 hours remaining, 209.945312 MB of memory in use. ENERGY: 1510200 747.8461 2062.0492 1914.9348 107.2212 -205418.7748 17085.7815 0.0000 0.0000 34176.5217 -149324.4204 298.4721 -183500.9421 -149226.2789 298.6909 -287.2898 -262.4839 558841.9749 -4.6564 -4.5880 PRESSURE: 1510400 -224.353 -35.4038 79.0343 -35.404 43.6983 98.3002 79.0349 98.2992 70.9391 GPRESSURE: 1510400 -177.886 -123.702 118.184 58.1466 104.352 45.718 55.8821 183.885 66.0575 PRESSAVG: 1510400 9.16863 -2.93595 0.161865 -2.93596 21.7303 -8.77203 0.161883 -8.77215 -24.7573 GPRESSAVG: 1510400 10.2341 -3.13045 0.316015 0.298644 21.5948 -9.46921 0.770152 -8.45742 -24.9767 TIMING: 1510400 CPU: 4379.1, 0.00294436/step Wall: 4379.1, 0.00294436/step, 2.85406 hours remaining, 209.945312 MB of memory in use. ENERGY: 1510400 733.5180 2051.9819 1921.0054 107.1770 -206211.1888 17874.1050 0.0000 0.0000 34249.1617 -149274.2397 299.1064 -183523.4015 -149178.5309 298.7725 -36.5719 -2.4921 556276.1470 2.0472 2.2840 PRESSURE: 1510600 -67.7472 46.6366 120.799 46.637 -46.3454 128.222 120.799 128.222 -254.946 GPRESSURE: 1510600 -79.6365 -13.3487 52.108 138.035 -14.2364 172.474 141.477 61.0988 -173.146 PRESSAVG: 1510600 21.7457 39.223 -19.6858 39.223 -20.0794 -19.2486 -19.6857 -19.2487 14.0519 GPRESSAVG: 1510600 21.3786 40.6337 -20.8858 35.8015 -19.7464 -20.6873 -21.6019 -16.7352 14.4091 TIMING: 1510600 CPU: 4379.68, 0.0029366/step Wall: 4379.68, 0.0029366/step, 2.84638 hours remaining, 209.945312 MB of memory in use. ENERGY: 1510600 759.3931 2072.5960 1911.9230 119.3428 -206041.1350 17751.8713 0.0000 0.0000 34147.1556 -149278.8531 298.2156 -183426.0087 -149179.9941 298.8803 -123.0130 -89.0064 558451.1533 5.2394 5.3471 PRESSURE: 1510800 43.1309 -100.774 -36.0045 -100.775 -99.9045 86.7465 -36.0038 86.7464 125.578 GPRESSURE: 1510800 43.8494 -109.758 0.355762 -87.4371 -49.6029 28.4427 5.54313 69.7621 175.419 PRESSAVG: 1510800 -11.7892 47.583 -19.0443 47.583 21.1713 12.8653 -19.0444 12.8652 17.3968 GPRESSAVG: 1510800 -11.3317 46.8032 -17.0236 49.7508 21.5416 13.6172 -16.5232 11.4858 16.5198 TIMING: 1510800 CPU: 4380.27, 0.00292889/step Wall: 4380.27, 0.00292889/step, 2.83875 hours remaining, 209.945312 MB of memory in use. ENERGY: 1510800 760.3891 2084.7524 1925.4369 109.6200 -206441.8744 17997.8425 0.0000 0.0000 34292.9634 -149270.8703 299.4890 -183563.8337 -149175.3316 299.2812 22.9349 56.5553 558395.0234 8.9263 8.9099 PRESSURE: 1511000 -72.8265 119.647 -57.1232 119.647 6.03832 73.7936 -57.125 73.793 98.8873 GPRESSURE: 1511000 -31.4511 78.4153 -53.1503 106.185 30.5102 146.312 -39.3411 -0.216645 130.41 PRESSAVG: 1511000 50.0526 2.66618 -13.055 2.6662 -18.6924 -49.4113 -13.055 -49.4113 -30.3862 GPRESSAVG: 1511000 49.8529 1.42496 -14.5204 0.609353 -18.5155 -48.0817 -12.3542 -51.0845 -30.1984 TIMING: 1511000 CPU: 4380.85, 0.00288904/step Wall: 4380.85, 0.00288904/step, 2.79996 hours remaining, 209.945312 MB of memory in use. ENERGY: 1511000 714.2571 2128.9774 1951.9343 115.8609 -206343.0858 17733.1033 0.0000 0.0000 34458.9778 -149239.9750 300.9388 -183698.9528 -149141.8638 299.3907 10.6997 43.1563 555551.1479 0.3247 0.3797 PRESSURE: 1511200 -131.538 -17.1612 162.576 -17.1605 -191.223 -180.538 162.575 -180.538 42.816 GPRESSURE: 1511200 -115.884 41.9702 209.97 -40.5518 -130.384 -125.176 96.6878 -153.175 50.5209 PRESSAVG: 1511200 -11.6147 19.4956 13.8719 19.4957 -12.9462 -33.0997 13.872 -33.0996 52.0899 GPRESSAVG: 1511200 -13.0828 20.587 15.7318 19.3662 -11.7372 -33.2981 12.3754 -30.8504 51.7558 TIMING: 1511200 CPU: 4381.42, 0.00287608/step Wall: 4381.42, 0.00287608/step, 2.78724 hours remaining, 209.945312 MB of memory in use. ENERGY: 1511200 768.0142 2089.4428 1926.4590 111.0812 -206015.8379 17573.5632 0.0000 0.0000 34456.1184 -149091.1591 300.9139 -183547.2775 -148997.0467 300.3817 -93.3150 -65.2491 555293.9675 9.1763 8.9786 PRESSURE: 1511400 -40.661 206.897 63.542 206.896 58.4684 28.1088 63.542 28.1069 11.8519 GPRESSURE: 1511400 -1.06881 155.885 109.147 248.269 66.4415 -89.8772 70.4583 25.4005 71.6244 PRESSAVG: 1511400 25.2199 56.2677 -41.0261 56.2676 -22.4584 -22.6414 -41.0262 -22.6415 51.8061 GPRESSAVG: 1511400 27.7195 54.735 -42.5523 56.7499 -24.2591 -22.7344 -38.498 -23.0871 51.1943 TIMING: 1511400 CPU: 4382, 0.0028913/step Wall: 4382, 0.0028913/step, 2.80183 hours remaining, 209.945312 MB of memory in use. ENERGY: 1511400 735.2972 2123.3030 1920.2531 107.3854 -206166.2857 17724.5826 0.0000 0.0000 34479.8239 -149075.6405 301.1209 -183555.4644 -148981.1343 299.9729 9.8864 45.6657 555922.0179 18.1892 18.2182 PRESSURE: 1511600 197.249 186.146 169.68 186.147 -11.7714 -47.8302 169.68 -47.8315 11.259 GPRESSURE: 1511600 244.404 140.961 66.9541 102.065 8.24702 22.9133 172.035 -39.8188 45.222 PRESSAVG: 1511600 68.6644 28.313 -19.7313 28.313 -49.4886 -42.8024 -19.7313 -42.8024 29.4592 GPRESSAVG: 1511600 67.6705 28.1533 -19.8463 28.9343 -47.9149 -42.0451 -21.914 -44.1233 28.7643 TIMING: 1511600 CPU: 4382.58, 0.00290112/step Wall: 4382.58, 0.00290112/step, 2.81119 hours remaining, 209.945312 MB of memory in use. ENERGY: 1511600 745.2971 2152.0936 1952.4149 106.1597 -206431.3867 17932.1332 0.0000 0.0000 34262.5637 -149280.7245 299.2235 -183543.2882 -149194.7531 299.1750 65.5788 99.2912 557718.8457 16.2117 16.1733 PRESSURE: 1511800 -68.3638 -130.16 97.7738 -130.16 -190.655 57.3927 97.7743 57.3929 -172.613 GPRESSURE: 1511800 -61.86 -193.215 42.613 -74.7673 -192.345 45.3858 161.855 123.349 -85.3066 PRESSAVG: 1511800 -15.4157 -33.7379 15.5983 -33.738 4.30418 11.4921 15.5983 11.4922 32.0139 GPRESSAVG: 1511800 -15.9647 -31.1813 17.8959 -34.77 2.65509 10.897 16.7015 12.8873 33.4845 TIMING: 1511800 CPU: 4383.16, 0.00290241/step Wall: 4383.16, 0.00290241/step, 2.81227 hours remaining, 209.945312 MB of memory in use. ENERGY: 1511800 700.2413 2104.9252 1934.0589 110.8894 -206178.3140 17664.5121 0.0000 0.0000 34295.0376 -149368.6493 299.5071 -183663.6869 -149268.5799 298.3585 -143.8770 -113.1706 558129.0605 6.9675 6.7250 PRESSURE: 1512000 190.83 54.8344 42.0208 54.8357 57.792 -190.995 42.019 -190.995 -38.0925 GPRESSURE: 1512000 181.837 67.7024 17.3295 93.8621 131.357 -189.535 18.6418 -254.54 -11.4858 PRESSAVG: 1512000 24.9565 8.72944 35.9469 8.7295 -29.7356 -11.5563 35.9469 -11.5562 -0.227157 GPRESSAVG: 1512000 24.9622 8.26329 35.0123 11.4287 -30.1269 -12.9549 36.578 -12.1718 0.191658 TIMING: 1512000 CPU: 4383.75, 0.00293065/step Wall: 4383.75, 0.00293065/step, 2.83948 hours remaining, 209.945312 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: 1512000 729.4312 2067.2166 1943.2192 110.7608 -206666.7137 18094.1278 0.0000 0.0000 34225.2772 -149496.6807 298.8979 -183721.9580 -149403.2765 298.8898 70.1766 100.5695 558330.2370 -1.6688 -1.6577 PRESSURE: 1512200 -4.58304 -13.8857 -70.1933 -13.8851 -55.6149 -1.08928 -70.1932 -1.09072 -95.1323 GPRESSURE: 1512200 1.86639 -29.5262 13.9588 -27.2626 -61.1652 37.8045 -110.417 -68.3968 -6.97391 PRESSAVG: 1512200 21.6848 -27.3495 -10.6339 -27.3494 15.7037 -35.9196 -10.6338 -35.9197 -40.5355 GPRESSAVG: 1512200 21.7957 -28.2847 -10.2892 -31.0095 16.8351 -34.5937 -10.53 -37.2937 -41.2128 TIMING: 1512200 CPU: 4384.34, 0.00294653/step Wall: 4384.34, 0.00294653/step, 2.8547 hours remaining, 209.945312 MB of memory in use. ENERGY: 1512200 696.2664 2088.6029 1935.2361 103.2510 -206657.5977 17877.8973 0.0000 0.0000 34360.8025 -149595.5414 300.0814 -183956.3440 -149500.9335 298.0885 -51.7768 -22.0909 558778.7183 -1.0490 -0.8607 LDB: ============= START OF LOAD BALANCING ============== 4387.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4387.73 LDB: =============== DONE WITH MIGRATION ================ 4387.73 LDB: ============= START OF LOAD BALANCING ============== 4388.02 LDB: Largest compute 4792 load 0.023147 is 19.6% of average load 0.117921 LDB: Average compute 0.001721 is 1.5% of average load 0.117921 LDB: TIME 4388.02 LOAD: AVG 0.117921 MAX 0.185961 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.117 MB LDB: TIME 4388.02 LOAD: AVG 0.117921 MAX 0.185961 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.363 MB LDB: TIME 4388.02 LOAD: AVG 0.117921 MAX 0.185961 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.363 MB LDB: ============== END OF LOAD BALANCING =============== 4388.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4388.03 PRESSURE: 1512400 -75.5371 -82.5723 16.4909 -82.5721 -475.388 24.6439 16.4909 24.6453 -126.82 GPRESSURE: 1512400 -62.2071 -108.141 -55.7621 -9.81198 -461.956 18.6818 68.0314 86.5679 -57.0053 PRESSAVG: 1512400 1.31033 -57.0669 -6.09594 -57.0669 2.73112 19.7234 -6.09596 19.7234 -15.3256 GPRESSAVG: 1512400 2.66584 -56.2153 -4.7104 -56.1511 1.43837 18.9196 -8.11667 21.722 -15.7148 TIMING: 1512400 CPU: 4384.93, 0.00296556/step Wall: 4384.93, 0.00296556/step, 2.87297 hours remaining, 208.675781 MB of memory in use. ENERGY: 1512400 772.2585 2128.2211 1949.5360 111.8317 -206462.3174 17726.6895 0.0000 0.0000 34170.1512 -149603.6294 298.4164 -183773.7806 -149506.5314 298.2074 -225.9149 -193.7229 559234.2927 -3.7614 -3.8702 PRESSURE: 1512600 -139.98 -47.2365 -34.5254 -47.2362 -39.8155 -120.222 -34.5246 -120.222 -144.506 GPRESSURE: 1512600 -105.799 -89.6828 9.0748 -15.2207 36.9705 -104.618 -135.235 -99.8649 -147.622 PRESSAVG: 1512600 -25.9169 -69.099 -23.8217 -69.099 16.6069 0.829732 -23.8218 0.829679 -14.8078 GPRESSAVG: 1512600 -27.046 -69.1193 -23.0179 -70.017 16.2457 0.391197 -26.6104 0.628546 -13.7228 TIMING: 1512600 CPU: 4385.52, 0.00292426/step Wall: 4385.52, 0.00292426/step, 2.8328 hours remaining, 208.878906 MB of memory in use. ENERGY: 1512600 776.8969 2060.8084 1939.6563 101.4945 -206559.4714 17822.9254 0.0000 0.0000 34159.9479 -149697.7420 298.3273 -183857.6899 -149598.0991 298.4914 -108.1006 -72.1503 558672.0798 -8.0393 -8.1744 PRESSURE: 1512800 -150.775 23.4096 33.6478 23.4092 -69.1265 155.534 33.6466 155.534 -144.271 GPRESSURE: 1512800 -121.221 23.3136 31.0025 59.7084 -72.3939 130.819 66.5847 154.483 -77.2518 PRESSAVG: 1512800 -59.0826 -29.3517 -50.183 -29.3517 7.45845 -12.8698 -50.183 -12.8698 46.6012 GPRESSAVG: 1512800 -58.9067 -29.2723 -52.2716 -28.0159 7.66768 -11.4466 -46.1709 -13.1505 46.3773 TIMING: 1512800 CPU: 4386.1, 0.00292899/step Wall: 4386.1, 0.00292899/step, 2.83721 hours remaining, 208.878906 MB of memory in use. ENERGY: 1512800 755.4992 2090.7422 1973.2363 102.5405 -206526.2315 17816.0573 0.0000 0.0000 34031.5097 -149756.6462 297.2056 -183788.1559 -149659.1387 298.1392 -121.3906 -90.2889 558541.8190 -1.6743 -1.6206 PRESSURE: 1513000 16.8674 -31.6956 72.7901 -31.6952 65.8693 112.605 72.7891 112.605 148.644 GPRESSURE: 1513000 45.4896 -111.649 23.1748 47.1997 90.3328 193.544 -6.94808 91.4538 191.167 PRESSAVG: 1513000 -35.0707 -42.0816 34.5383 -42.0816 22.8781 28.1622 34.5384 28.1622 -26.4753 GPRESSAVG: 1513000 -35.101 -45.0342 35.1566 -41.108 23.2456 28.0483 34.4194 28.0434 -26.7619 TIMING: 1513000 CPU: 4386.68, 0.00291202/step Wall: 4386.68, 0.00291202/step, 2.82061 hours remaining, 209.074219 MB of memory in use. ENERGY: 1513000 759.4261 2045.0660 1939.0197 108.5128 -206829.0626 18168.7409 0.0000 0.0000 34159.3005 -149648.9967 298.3217 -183808.2972 -149552.0776 298.1596 77.1270 108.9965 558734.8492 -12.8893 -12.8725 PRESSURE: 1513200 -90.3753 151.001 -146.169 151.001 -163.669 129.935 -146.169 129.935 -123.202 GPRESSURE: 1513200 -66.5712 280.11 -166.214 187.823 -127.393 105.625 -57.7189 13.7197 -74.0143 PRESSAVG: 1513200 40.7017 9.91857 -51.4442 9.91858 -10.7838 5.93125 -51.4442 5.9313 -0.457579 GPRESSAVG: 1513200 41.234 14.359 -52.8023 7.27862 -10.8699 3.89236 -50.9951 4.99754 -0.968027 TIMING: 1513200 CPU: 4387.27, 0.00292085/step Wall: 4387.27, 0.00292086/step, 2.82901 hours remaining, 209.074219 MB of memory in use. ENERGY: 1513200 736.2197 2053.8602 1950.9508 126.8131 -206642.3449 17852.5587 0.0000 0.0000 34230.2264 -149691.7160 298.9411 -183921.9423 -149600.8434 297.8123 -125.7490 -89.3261 559537.8951 9.8201 9.7987 PRESSURE: 1513400 -100.972 7.89437 87.6534 7.89336 23.559 -125.907 87.6534 -125.907 -48.5308 GPRESSURE: 1513400 -46.8061 21.049 51.5662 -82.8721 19.0948 -251.402 108.081 -35.3739 -7.84705 PRESSAVG: 1513400 -2.58414 16.1502 -39.6405 16.1502 -22.4494 -25.8255 -39.6406 -25.8255 11.2145 GPRESSAVG: 1513400 -2.46542 14.9785 -38.899 18.1931 -22.2057 -24.0907 -39.7572 -26.3601 10.3077 TIMING: 1513400 CPU: 4387.85, 0.0029137/step Wall: 4387.85, 0.0029137/step, 2.82192 hours remaining, 209.074219 MB of memory in use. ENERGY: 1513400 757.6394 1992.4867 1933.1214 107.2225 -206557.3725 18015.5400 0.0000 0.0000 34194.7122 -149556.6505 298.6309 -183751.3626 -149461.7782 298.3177 -41.9811 -11.8528 559743.6587 -4.6064 -4.7878 PRESSURE: 1513600 127.383 97.4871 129.665 97.4862 107.607 -14.5657 129.664 -14.5662 -125.312 GPRESSURE: 1513600 139.895 61.9376 160.506 93.8313 123.525 30.8866 143.727 -45.4755 -52.2012 PRESSAVG: 1513600 -30.3007 -5.7449 -6.545 -5.7449 79.8848 -22.1523 -6.54509 -22.1522 -18.9152 GPRESSAVG: 1513600 -31.8039 -5.82697 -5.39082 -5.73187 80.8415 -22.4777 -6.34768 -21.5401 -18.4386 TIMING: 1513600 CPU: 4388.43, 0.00290588/step Wall: 4388.43, 0.00290588/step, 2.81419 hours remaining, 209.074219 MB of memory in use. ENERGY: 1513600 726.7378 2026.1632 1959.5297 105.4325 -206929.8328 18074.0234 0.0000 0.0000 34439.6326 -149598.3136 300.7699 -184037.9462 -149502.2560 298.1707 36.5591 70.4062 558036.1428 10.2230 10.1997 PRESSURE: 1513800 28.1147 -98.959 55.6157 -98.9569 302.353 -15.2454 55.6151 -15.2455 -50.6184 GPRESSURE: 1513800 70.7676 -119.337 -7.87388 -41.589 330.626 17.1238 55.0951 -34.7278 -21.0651 PRESSAVG: 1513800 -10.3707 -42.606 -21.287 -42.6061 1.40263 -13.1611 -21.287 -13.161 -17.5525 GPRESSAVG: 1513800 -9.36808 -43.2213 -21.487 -41.906 0.542084 -12.6801 -25.1529 -12.3039 -17.4343 TIMING: 1513800 CPU: 4389.02, 0.00291763/step Wall: 4389.02, 0.00291763/step, 2.8254 hours remaining, 209.074219 MB of memory in use. ENERGY: 1513800 724.6006 2091.6909 1942.2135 104.1145 -206849.8490 18160.0709 0.0000 0.0000 34104.8647 -149722.2938 297.8463 -183827.1585 -149631.1845 298.2314 93.2830 126.7762 558473.8731 -8.8402 -8.7534 PRESSURE: 1514000 141.22 183.739 4.06799 183.738 -196.708 7.07601 4.07002 7.0742 327.607 GPRESSURE: 1514000 172.316 182.729 -44.8723 184.455 -137.872 58.3314 0.303114 27.6142 329.592 PRESSAVG: 1514000 28.6217 -53.146 19.9772 -53.1461 -16.7512 -33.4571 19.9773 -33.4571 -9.5302 GPRESSAVG: 1514000 27.7582 -53.9411 17.2184 -54.5194 -15.4088 -33.9291 22.8413 -33.7831 -9.642 TIMING: 1514000 CPU: 4389.59, 0.00289442/step Wall: 4389.59, 0.00289442/step, 2.80277 hours remaining, 209.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1514000 760.4008 2062.0160 1947.3198 104.0885 -206642.0441 17899.1052 0.0000 0.0000 34215.9905 -149653.1232 298.8168 -183869.1137 -149556.7663 297.5325 90.7065 121.3454 556509.7326 0.7801 0.9025 PRESSURE: 1514200 -314.607 -103.053 133.936 -103.053 -57.1358 -132.386 133.937 -132.385 -207.472 GPRESSURE: 1514200 -188.652 -91.5002 140.006 -79.4559 -95.2519 -198.158 155.622 -129.942 -197.526 PRESSAVG: 1514200 2.83607 -26.6331 20.5116 -26.6332 -17.9435 29.4177 20.5118 29.4177 17.4111 GPRESSAVG: 1514200 3.80556 -25.7403 22.8262 -27.6353 -18.7216 28.5919 20.6468 30.4299 17.6456 TIMING: 1514200 CPU: 4390.17, 0.00288395/step Wall: 4390.17, 0.00288395/step, 2.79246 hours remaining, 209.316406 MB of memory in use. ENERGY: 1514200 741.9319 2118.4007 1945.2221 106.4177 -206167.4397 17472.2174 0.0000 0.0000 34257.7261 -149525.5238 299.1812 -183783.2499 -149433.3247 298.2800 -193.0715 -160.4766 557967.7926 0.7679 0.9098 PRESSURE: 1514400 10.3058 -135.507 51.4384 -135.508 305.404 -81.6853 51.4384 -81.6857 54.8571 GPRESSURE: 1514400 13.8962 -110.327 -36.3555 -135.539 335.123 -34.2029 55.4069 -52.755 122.278 PRESSAVG: 1514400 -26.0005 -50.8187 60.5583 -50.8187 81.6689 -24.2057 60.5582 -24.2057 -32.7868 GPRESSAVG: 1514400 -26.7913 -51.8693 59.8762 -49.4254 81.7398 -24.3357 62.24 -24.5529 -32.6911 TIMING: 1514400 CPU: 4390.75, 0.00288008/step Wall: 4390.75, 0.00288008/step, 2.78855 hours remaining, 209.316406 MB of memory in use. ENERGY: 1514400 699.7897 2073.7359 1952.5385 124.1741 -206509.3855 17938.1676 0.0000 0.0000 34218.0315 -149502.9482 298.8346 -183720.9797 -149416.1974 298.6041 123.5222 157.0991 555955.3185 7.6272 7.4191 PRESSURE: 1514600 -347.007 146.027 68.0403 146.029 -10.0137 6.596 68.0395 6.5963 -212.591 GPRESSURE: 1514600 -296.401 156.876 122.975 88.3695 -63.8614 18.7645 40.6091 39.5158 -124.378 PRESSAVG: 1514600 16.3333 -8.06759 46.9497 -8.06755 48.4824 38.1722 46.9496 38.1724 -54.9801 GPRESSAVG: 1514600 16.7452 -7.57123 47.0846 -8.05446 47.5794 38.0303 46.1787 37.1866 -54.1329 TIMING: 1514600 CPU: 4391.33, 0.00289474/step Wall: 4391.33, 0.00289474/step, 2.8026 hours remaining, 209.316406 MB of memory in use. ENERGY: 1514600 735.5588 2092.0524 1945.2057 97.6956 -205779.9992 17370.2959 0.0000 0.0000 34100.0505 -149439.1401 297.8042 -183539.1907 -149340.1147 298.8103 -189.8706 -161.5467 556646.9415 3.2785 3.3972 PRESSURE: 1514800 -4.52111 -2.6185 124.971 -2.61794 -138.867 7.06319 124.971 7.06418 -101.439 GPRESSURE: 1514800 22.9605 -36.2206 64 -21.828 -138.343 -22.6171 100.172 12.2306 -25.047 PRESSAVG: 1514800 -7.28301 35.4385 51.144 35.4385 11.586 63.8563 51.144 63.8562 -28.123 GPRESSAVG: 1514800 -7.31877 38.6228 52.1955 35.131 12.8894 66.261 50.1893 65.0076 -29.0919 TIMING: 1514800 CPU: 4391.91, 0.0029169/step Wall: 4391.91, 0.0029169/step, 2.82388 hours remaining, 209.316406 MB of memory in use. ENERGY: 1514800 721.4661 2089.9321 1953.3885 111.6353 -206284.4801 17688.0264 0.0000 0.0000 34275.1524 -149444.8792 299.3334 -183720.0316 -149352.4008 298.7847 -81.6089 -46.8097 555544.0079 -7.9400 -7.8404 PRESSURE: 1515000 -148.465 21.784 74.6847 21.7839 -100.382 219.776 74.6855 219.778 -160.726 GPRESSURE: 1515000 -60.001 -34.3315 47.9376 41.9178 -109.763 275.952 69.3066 176.185 -134.492 PRESSAVG: 1515000 -41.2898 -13.9809 65.1014 -13.9808 46.8955 80.4668 65.1015 80.4668 -1.64223 GPRESSAVG: 1515000 -40.3505 -17.757 64.1312 -13.6132 46.1121 79.5384 66.7439 77.5776 -1.76472 TIMING: 1515000 CPU: 4392.49, 0.00289578/step Wall: 4392.49, 0.00289578/step, 2.80327 hours remaining, 209.316406 MB of memory in use. ENERGY: 1515000 744.6394 2026.8535 1967.7299 118.6084 -206076.3400 17533.8392 0.0000 0.0000 33932.1239 -149752.5457 296.3377 -183684.6696 -149656.2755 298.2655 -136.5243 -101.4184 555779.0485 1.3212 1.3323 PRESSURE: 1515200 267.012 19.152 144.576 19.1513 29.9202 128.834 144.577 128.834 208.293 GPRESSURE: 1515200 303.826 -2.20836 213.102 32.5523 61.6941 57.2424 144.818 79.2079 229.444 PRESSAVG: 1515200 -33.6408 -4.76722 23.8738 -4.76722 48.5402 18.7257 23.8738 18.7257 8.60945 GPRESSAVG: 1515200 -34.3919 -3.98709 25.1249 -3.89056 50.3075 17.7666 22.5259 19.499 7.58271 TIMING: 1515200 CPU: 4393.06, 0.00288005/step Wall: 4393.06, 0.00288005/step, 2.78789 hours remaining, 209.316406 MB of memory in use. ENERGY: 1515200 752.0044 2131.4870 1943.8530 109.9761 -207078.1803 18329.7664 0.0000 0.0000 34083.0762 -149728.0172 297.6560 -183811.0934 -149625.2987 297.3211 168.4083 198.3216 556471.8182 7.8363 7.8328 PRESSURE: 1515400 -245.741 -103.505 109.381 -103.504 -31.2136 84.8952 109.382 84.8955 -39.8516 GPRESSURE: 1515400 -241.378 -51.628 85.78 -106.768 -8.23949 141.676 122.133 46.6614 15.8868 PRESSAVG: 1515400 -25.6011 4.96411 36.5833 4.96415 16.0191 -10.012 36.5833 -10.012 58.3735 GPRESSAVG: 1515400 -26.0041 4.12271 36.5365 6.32906 14.7482 -8.95884 37.4277 -12.0664 59.8951 TIMING: 1515400 CPU: 4393.64, 0.00287769/step Wall: 4393.64, 0.00287769/step, 2.78545 hours remaining, 209.316406 MB of memory in use. ENERGY: 1515400 742.0672 2107.3152 1929.9459 130.5313 -206130.6234 17566.8027 0.0000 0.0000 33925.8645 -149728.0966 296.2830 -183653.9611 -149633.6263 298.1962 -105.6021 -77.9104 557886.7379 16.2638 16.2131 PRESSURE: 1515600 191.938 62.801 -79.0888 62.802 5.14042 -14.3196 -79.0883 -14.3193 40.9443 GPRESSURE: 1515600 242.71 -0.174999 -118.339 83.7456 34.277 -21.365 -69.2673 23.9941 55.8208 PRESSAVG: 1515600 21.102 3.28521 5.14819 3.28526 -9.21927 -59.7479 5.14817 -59.7478 32.8698 GPRESSAVG: 1515600 21.3945 5.8933 3.94927 0.494473 -8.71262 -59.977 3.80313 -58.8834 32.0502 TIMING: 1515600 CPU: 4394.22, 0.00288686/step Wall: 4394.22, 0.00288686/step, 2.79416 hours remaining, 209.316406 MB of memory in use. ENERGY: 1515600 724.7928 2073.7026 1934.8347 104.1140 -206817.6091 18011.0105 0.0000 0.0000 34042.7684 -149926.3862 297.3040 -183969.1545 -149826.8939 298.2640 79.3409 110.9361 556074.0790 14.9175 14.9107 PRESSURE: 1515800 -194.254 -236.864 -197.199 -236.865 -71.1984 -167.914 -197.198 -167.915 146.4 GPRESSURE: 1515800 -154.985 -212.974 -156.67 -154.657 -55.3093 -96.9789 -198.26 -145.315 188.871 PRESSAVG: 1515800 -47.705 31.1794 -65.2109 31.1794 -32.7645 -26.8525 -65.211 -26.8526 85.0256 GPRESSAVG: 1515800 -48.3829 29.3931 -66.36 31.4049 -32.5581 -26.6798 -63.5324 -24.7414 84.9802 TIMING: 1515800 CPU: 4394.79, 0.00288582/step Wall: 4394.79, 0.00288582/step, 2.79299 hours remaining, 209.316406 MB of memory in use. ENERGY: 1515800 727.6667 2029.1557 1962.9699 112.4156 -206521.3467 17726.2864 0.0000 0.0000 34067.8314 -149895.0209 297.5228 -183962.8523 -149797.2482 297.5661 -39.6841 -7.1413 554848.0926 1.5187 1.3464 PRESSURE: 1516000 147.019 -57.4722 -96.6212 -57.4736 -325.365 111.45 -96.622 111.448 -120.295 GPRESSURE: 1516000 172.843 -11.5924 -151.873 -60.3295 -250.118 117.756 -100.375 74.2596 -124.065 PRESSAVG: 1516000 24.8888 23.8986 -41.4914 23.8987 -6.57841 -6.66377 -41.4914 -6.66385 5.20161 GPRESSAVG: 1516000 24.4771 26.0727 -40.2449 23.7974 -6.07554 -7.40709 -43.5974 -6.83977 5.18309 TIMING: 1516000 CPU: 4395.37, 0.00288684/step Wall: 4395.37, 0.00288684/step, 2.79382 hours remaining, 209.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1516000 757.1382 2081.0343 1945.9027 111.6128 -206736.1305 17873.5472 0.0000 0.0000 34097.2573 -149869.6380 297.7798 -183966.8953 -149772.7789 297.8735 -99.5469 -67.1130 557344.6548 7.8373 7.8615 PRESSURE: 1516200 -100.917 -110.065 -136.389 -110.065 99.8395 65.0657 -136.388 65.0633 185.907 GPRESSURE: 1516200 -82.4401 -218.631 -72.9972 -127.028 178.18 92.8866 -147.184 -9.78934 187.72 PRESSAVG: 1516200 18.7791 35.3821 -42.7283 35.3821 -13.6728 -8.59746 -42.7282 -8.59749 -10.7553 GPRESSAVG: 1516200 18.8733 33.5924 -45.1833 36.0439 -15.1853 -6.99588 -41.3226 -12.3842 -9.18047 TIMING: 1516200 CPU: 4395.95, 0.0028999/step Wall: 4395.95, 0.0028999/step, 2.80629 hours remaining, 209.316406 MB of memory in use. ENERGY: 1516200 762.9693 2097.3116 1979.8219 116.4432 -206952.7556 18156.7162 0.0000 0.0000 34083.1086 -149756.3850 297.6563 -183839.4936 -149659.4559 298.6425 61.6099 94.4866 558105.9826 -1.8830 -1.8308 LDB: ============= START OF LOAD BALANCING ============== 4399.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4399.34 LDB: =============== DONE WITH MIGRATION ================ 4399.34 LDB: ============= START OF LOAD BALANCING ============== 4399.63 LDB: Largest compute 4792 load 0.021612 is 18.3% of average load 0.117977 LDB: Average compute 0.001723 is 1.5% of average load 0.117977 LDB: TIME 4399.63 LOAD: AVG 0.117977 MAX 0.185446 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.031 MB LDB: TIME 4399.63 LOAD: AVG 0.117977 MAX 0.185446 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: TIME 4399.63 LOAD: AVG 0.117977 MAX 0.185446 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: ============== END OF LOAD BALANCING =============== 4399.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4399.64 PRESSURE: 1516400 -251.761 6.45029 15.5564 6.45098 28.6806 64.0265 15.5557 64.0268 -171.807 GPRESSURE: 1516400 -184.965 -22.3576 15.2326 67.3674 65.599 116.656 101.456 43.2628 -173.013 PRESSAVG: 1516400 -50.4229 5.44105 24.5822 5.4411 7.91773 5.2259 24.5823 5.22599 81.7151 GPRESSAVG: 1516400 -48.7321 5.45421 26.0913 5.43589 8.94993 3.2988 25.0391 9.29143 79.6977 TIMING: 1516400 CPU: 4396.54, 0.00296129/step Wall: 4396.54, 0.00296129/step, 2.86554 hours remaining, 210.339844 MB of memory in use. ENERGY: 1516400 732.1001 2113.1567 1944.4419 114.9515 -206512.8928 17616.1020 0.0000 0.0000 34154.8419 -149837.2987 298.2827 -183992.1406 -149748.4957 297.4373 -131.6293 -97.4595 556496.2497 13.0700 13.3052 PRESSURE: 1516600 -68.198 -38.6868 13.9764 -38.687 164.54 131.268 13.9763 131.267 -238.441 GPRESSURE: 1516600 -70.8936 -64.5304 17.055 -53.0606 199.426 115.69 34.1827 138.277 -178.554 PRESSAVG: 1516600 -29.414 48.0036 -5.20142 48.0035 81.8909 -42.985 -5.20144 -42.985 -48.6734 GPRESSAVG: 1516600 -30.3631 45.0975 -3.41735 50.2177 81.5849 -41.577 -6.67669 -44.4327 -47.5387 TIMING: 1516600 CPU: 4397.12, 0.00289481/step Wall: 4397.12, 0.00289481/step, 2.80105 hours remaining, 210.582031 MB of memory in use. ENERGY: 1516600 748.1063 2084.1812 1939.0469 118.1222 -206605.7614 17818.3412 0.0000 0.0000 34033.0814 -149864.8823 297.2194 -183897.9637 -149770.9910 297.5974 -47.3665 -16.6738 555697.7915 1.2678 1.2277 PRESSURE: 1516800 -249.855 158.268 -7.84971 158.269 -180.939 19.5317 -7.84962 19.5317 -177.671 GPRESSURE: 1516800 -290.239 162.291 5.07891 135.185 -136.601 -29.2478 -49.9269 -71.4987 -101.757 PRESSAVG: 1516800 -44.7318 7.81091 37.8569 7.8109 8.08186 13.2059 37.8568 13.2059 39.5038 GPRESSAVG: 1516800 -44.8837 11.0201 37.8714 5.06355 8.80518 13.4214 37.3578 13.079 38.6277 TIMING: 1516800 CPU: 4397.71, 0.00290871/step Wall: 4397.71, 0.00290871/step, 2.81433 hours remaining, 210.582031 MB of memory in use. ENERGY: 1516800 748.0949 2085.9101 1930.3556 114.9201 -206453.8778 17649.4578 0.0000 0.0000 33977.6611 -149947.4782 296.7354 -183925.1393 -149849.7139 296.7742 -202.8217 -176.1989 556972.4221 0.9513 0.8497 PRESSURE: 1517000 -43.3237 99.9119 -203.254 99.9111 139.37 -118.802 -203.255 -118.803 -86.656 GPRESSURE: 1517000 -29.5503 51.7677 -204.083 89.5171 187.137 -105.746 -194.113 -129.976 -55.0695 PRESSAVG: 1517000 -85.5623 68.6716 -53.4086 68.6716 88.3231 3.88941 -53.4086 3.88932 -15.2429 GPRESSAVG: 1517000 -86.3621 65.53 -53.3066 70.4955 88.8023 4.83046 -53.2284 4.2171 -15.0999 TIMING: 1517000 CPU: 4398.28, 0.00289206/step Wall: 4398.28, 0.00289206/step, 2.79807 hours remaining, 210.582031 MB of memory in use. ENERGY: 1517000 718.6854 2027.2355 1921.8385 107.2874 -206546.9024 17688.4344 0.0000 0.0000 34105.8688 -149977.5524 297.8550 -184083.4212 -149877.8161 297.4518 3.1301 34.1725 557140.8299 -4.1607 -4.2199 PRESSURE: 1517200 -124.34 -106.763 -70.143 -106.763 -272.773 -0.792397 -70.1424 -0.793481 -25.0561 GPRESSURE: 1517200 -97.5437 -147.486 -116.01 -149.404 -203.877 16.234 -19.6192 46.8733 -18.5948 PRESSAVG: 1517200 36.3519 43.2203 -60.3949 43.2202 -40.5418 7.61057 -60.395 7.61057 8.31701 GPRESSAVG: 1517200 36.3102 47.0244 -61.7779 39.1005 -39.9503 6.37724 -59.0996 8.252 7.75417 TIMING: 1517200 CPU: 4398.87, 0.0029071/step Wall: 4398.87, 0.0029071/step, 2.81245 hours remaining, 210.582031 MB of memory in use. ENERGY: 1517200 776.1007 2084.8791 1934.6612 109.8590 -206244.6127 17734.6580 0.0000 0.0000 33912.5802 -149691.8745 296.1670 -183604.4547 -149595.6617 297.3028 -140.7232 -106.6718 557717.9160 1.3757 1.3714 PRESSURE: 1517400 133.227 -126.787 42.3876 -126.787 -127.036 152.084 42.3876 152.084 -170.517 GPRESSURE: 1517400 197.1 -73.8382 44.8669 -132.999 -65.7485 79.7196 15.7445 165.621 -188.545 PRESSAVG: 1517400 -3.79666 -9.47599 -47.3532 -9.47605 -46.0141 17.9742 -47.3531 17.9741 29.6832 GPRESSAVG: 1517400 -3.12857 -10.1033 -47.2549 -6.58666 -46.6879 16.188 -44.4222 18.1134 29.7477 TIMING: 1517400 CPU: 4399.45, 0.00290915/step Wall: 4399.45, 0.00290915/step, 2.81428 hours remaining, 210.636719 MB of memory in use. ENERGY: 1517400 733.7608 2100.1596 1939.8598 102.6726 -206563.7518 17764.5810 0.0000 0.0000 34124.4283 -149798.2897 298.0171 -183922.7180 -149701.0621 298.1135 -54.7755 -19.0646 556677.0825 -6.7092 -6.6896 PRESSURE: 1517600 -215.733 40.5614 19.7724 40.5623 -363.178 -32.0932 19.7722 -32.0937 -30.8389 GPRESSURE: 1517600 -169.503 94.5502 -25.2459 34.99 -344.306 -44.5172 26.8235 -39.6388 0.511418 PRESSAVG: 1517600 -38.2565 -0.878084 -25.7914 -0.878026 -0.425027 -12.9126 -25.7914 -12.9126 51.8128 GPRESSAVG: 1517600 -37.8602 -0.666939 -24.2661 -2.06954 -1.01939 -9.04136 -28.7755 -15.0853 51.6814 TIMING: 1517600 CPU: 4400.03, 0.0028958/step Wall: 4400.03, 0.0028958/step, 2.80121 hours remaining, 210.636719 MB of memory in use. ENERGY: 1517600 755.6580 2102.2351 1946.5591 103.7086 -206674.5637 17711.4396 0.0000 0.0000 34436.6197 -149618.3437 300.7436 -184054.9634 -149526.0060 298.7932 -203.2498 -171.0992 558159.1723 4.3771 4.2673 PRESSURE: 1517800 -160.196 -1.03819 -9.18308 -1.03966 168.953 -63.2558 -9.18249 -63.2554 -74.2638 GPRESSURE: 1517800 -81.5525 -127.758 -52.6253 -6.12841 194.377 -62.0697 56.5548 -63.6353 -73.8903 PRESSAVG: 1517800 3.15699 41.7385 -26.0313 41.7386 -26.5778 4.01709 -26.0312 4.01705 41.5178 GPRESSAVG: 1517800 3.01707 40.1119 -27.6739 43.4021 -26.3845 0.161932 -24.2795 6.80625 41.8606 TIMING: 1517800 CPU: 4400.61, 0.00290988/step Wall: 4400.61, 0.00290988/step, 2.81466 hours remaining, 210.636719 MB of memory in use. ENERGY: 1517800 732.8087 2041.7760 1980.5410 106.4688 -206731.9036 17839.3857 0.0000 0.0000 34218.9081 -149812.0153 298.8422 -184030.9234 -149719.3406 298.4962 -21.8355 12.9782 555931.2792 6.0323 6.1644 PRESSURE: 1518000 134.288 13.353 113.881 13.352 115.596 -125.545 113.88 -125.544 305.183 GPRESSURE: 1518000 243.296 29.4858 59.8655 18.4369 94.4778 -96.47 77.2796 -135.592 324.558 PRESSAVG: 1518000 -3.91785 -9.6387 -36.8218 -9.63864 -22.3625 -18.8011 -36.8218 -18.8011 12.187 GPRESSAVG: 1518000 -3.26185 -6.9157 -38.1469 -10.8738 -22.9854 -18.445 -37.8447 -18.8208 12.208 TIMING: 1518000 CPU: 4401.19, 0.00289412/step Wall: 4401.19, 0.00289412/step, 2.79926 hours remaining, 210.636719 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: 1518000 706.8626 2072.5211 1977.6590 110.3111 -207101.5045 18074.0090 0.0000 0.0000 34110.0668 -150050.0749 297.8917 -184160.1416 -149956.9813 297.4677 185.0223 220.7773 554252.3971 -4.6978 -4.6798 PRESSURE: 1518200 -15.4697 125.178 79.4797 125.178 -48.9289 14.079 79.4793 14.0788 -90.1371 GPRESSURE: 1518200 0.916699 57.478 92.9336 151.394 37.1593 -10.0555 33.7713 -40.3514 -85.8186 PRESSAVG: 1518200 -25.5938 11.5007 -13.8248 11.5007 26.992 4.24972 -13.8248 4.24971 13.8857 GPRESSAVG: 1518200 -27.359 9.33104 -12.5724 13.5197 28.0976 5.17185 -15.5083 2.28731 14.4327 TIMING: 1518200 CPU: 4401.77, 0.00289448/step Wall: 4401.77, 0.00289448/step, 2.79945 hours remaining, 210.636719 MB of memory in use. ENERGY: 1518200 736.9125 2039.7856 1954.6259 128.1845 -206494.2071 17768.4733 0.0000 0.0000 33900.5483 -149965.6769 296.0619 -183866.2252 -149872.1659 296.8834 -51.5119 -15.9142 555308.4636 5.0946 5.0571 PRESSURE: 1518400 -308.19 39.5402 -63.0553 39.5402 -115.834 -5.03314 -63.054 -5.03471 54.5498 GPRESSURE: 1518400 -253.287 27.4612 -93.345 -109.655 -60.9338 27.8864 15.9364 26.1838 37.1543 PRESSAVG: 1518400 -28.9735 47.9464 -16.6461 47.9464 -24.3059 -25.0213 -16.6459 -25.0213 -7.02004 GPRESSAVG: 1518400 -28.1305 48.2443 -14.9746 46.2654 -24.9906 -25.6935 -15.0418 -22.8904 -7.47589 TIMING: 1518400 CPU: 4402.34, 0.00287624/step Wall: 4402.34, 0.00287624/step, 2.78164 hours remaining, 210.636719 MB of memory in use. ENERGY: 1518400 769.4815 2036.3542 1960.7002 120.7133 -206686.5675 17701.5932 0.0000 0.0000 34097.1864 -150000.5387 297.7792 -184097.7251 -149899.8521 296.6643 -123.1582 -92.3554 555405.2585 -20.0998 -20.1990 PRESSURE: 1518600 -182.64 5.32296 248.975 5.32402 -103.294 110.759 248.977 110.759 61.1208 GPRESSURE: 1518600 -123.866 -50.8063 171.116 12.5675 -65.355 66.7644 327.392 149.432 62.5865 PRESSAVG: 1518600 -73.9254 -2.8955 13.6527 -2.89551 38.3308 -7.02315 13.6527 -7.02313 39.652 GPRESSAVG: 1518600 -73.5316 -4.56633 12.7673 -2.22384 38.6253 -9.80739 13.2393 -7.59947 39.0565 TIMING: 1518600 CPU: 4402.92, 0.0029109/step Wall: 4402.92, 0.0029109/step, 2.815 hours remaining, 210.636719 MB of memory in use. ENERGY: 1518600 730.4724 2046.7759 1929.4005 119.7004 -206775.8715 17758.1323 0.0000 0.0000 34051.3024 -150140.0876 297.3785 -184191.3899 -150038.8562 296.9665 -74.9378 -42.2115 555993.2313 1.3525 1.3834 PRESSURE: 1518800 49.2776 -69.1455 -55.3073 -69.1468 -37.06 -43.8847 -55.3084 -43.8846 26.9746 GPRESSURE: 1518800 68.9227 -75.6487 -45.5735 -154.737 15.9286 -94.3777 -83.6761 -19.8089 45.0984 PRESSAVG: 1518800 23.3292 2.54417 45.3314 2.54419 -29.8523 -9.13858 45.3315 -9.13857 -10.5375 GPRESSAVG: 1518800 23.8414 2.38795 42.9417 2.19983 -30.8572 -6.78809 46.7026 -10.0649 -10.5865 TIMING: 1518800 CPU: 4403.5, 0.0028855/step Wall: 4403.5, 0.0028855/step, 2.79028 hours remaining, 210.636719 MB of memory in use. ENERGY: 1518800 749.3808 2042.0185 1956.8746 115.2762 -206983.5414 17911.2892 0.0000 0.0000 34155.9115 -150052.7906 298.2921 -184208.7020 -149950.0455 297.2588 13.0641 43.3166 556209.8733 -5.6869 -5.8674 PRESSURE: 1519000 -191.107 27.2154 -14.85 27.2161 -175.066 44.2686 -14.8518 44.2685 -258.704 GPRESSURE: 1519000 -145.595 -33.6163 -32.4737 119.725 -169.354 3.27193 13.1115 14.5115 -200.145 PRESSAVG: 1519000 -20.9139 77.2547 18.1462 77.2547 -48.2541 20.4589 18.1462 20.4589 14.0544 GPRESSAVG: 1519000 -21.7463 78.1312 20.7701 76.4899 -47.4918 19.3868 15.9298 19.7455 13.8467 TIMING: 1519000 CPU: 4404.08, 0.00290164/step Wall: 4404.08, 0.00290164/step, 2.80573 hours remaining, 210.636719 MB of memory in use. ENERGY: 1519000 782.3298 2072.3241 1943.6528 106.1341 -206921.1727 17923.0444 0.0000 0.0000 34064.2825 -150029.4050 297.4919 -184093.6875 -149929.2290 296.9494 -208.2925 -171.6979 557076.9053 -18.3712 -18.4638 PRESSURE: 1519200 127.985 35.459 -27.0976 35.459 -99.1095 269.959 -27.0972 269.959 146.096 GPRESSURE: 1519200 132.171 84.286 -0.828732 35.7162 -33.8018 286.97 -63.5026 202.93 169.704 PRESSAVG: 1519200 20.5955 -0.7784 25.7226 -0.77831 -3.70977 2.80712 25.7226 2.80705 -33.0359 GPRESSAVG: 1519200 20.2301 -0.495574 24.1862 -0.888925 -3.83797 3.54718 26.5543 2.61065 -31.7002 TIMING: 1519200 CPU: 4404.67, 0.00292228/step Wall: 4404.67, 0.00292228/step, 2.82552 hours remaining, 210.636719 MB of memory in use. ENERGY: 1519200 713.1194 2079.3513 1954.8930 101.4525 -206857.4249 18074.3015 0.0000 0.0000 33927.1338 -150007.1733 296.2941 -183934.3071 -149909.9404 296.6279 58.3236 89.3577 556910.0569 -5.3834 -5.1027 PRESSURE: 1519400 -517.369 -131.68 -60.0411 -131.679 124.012 3.00959 -60.0406 3.00955 -20.5127 GPRESSURE: 1519400 -457.771 -210.637 -22.9129 -120.564 131.125 -10.8812 -80.4496 27.9468 14.6698 PRESSAVG: 1519400 -45.5996 67.0944 49.4637 67.0944 85.6581 20.1548 49.4637 20.1548 -35.3872 GPRESSAVG: 1519400 -44.8988 66.0834 50.2649 68.2135 86.4834 20.3148 48.9752 19.5509 -37.2227 TIMING: 1519400 CPU: 4405.25, 0.00292483/step Wall: 4405.25, 0.00292483/step, 2.82782 hours remaining, 210.636719 MB of memory in use. ENERGY: 1519400 688.4557 2105.5259 1934.6490 111.9122 -206378.4248 17478.4016 0.0000 0.0000 34070.9230 -149988.5574 297.5498 -184059.4804 -149898.1849 296.7846 -137.9568 -103.9921 557063.3982 1.5571 1.4540 PRESSURE: 1519600 137.483 62.0202 -53.7019 62.02 219.77 -129.318 -53.7019 -129.318 94.6098 GPRESSURE: 1519600 223.239 137.935 -64.1836 75.2075 239.207 -129.653 -92.0015 -115.68 82.3378 PRESSAVG: 1519600 -76.7004 14.6564 -24.8793 14.6563 71.8351 -6.11425 -24.8793 -6.11421 73.6113 GPRESSAVG: 1519600 -76.8646 17.2011 -26.2126 14.1008 71.9964 -6.3815 -23.3117 -4.40764 73.6993 TIMING: 1519600 CPU: 4405.84, 0.00292806/step Wall: 4405.84, 0.00292806/step, 2.83079 hours remaining, 210.636719 MB of memory in use. ENERGY: 1519600 747.9954 2041.1832 1957.5999 101.2287 -206816.2035 18030.4463 0.0000 0.0000 34117.6704 -149820.0796 297.9581 -183937.7500 -149716.5427 296.7960 150.6209 181.5945 556231.5946 22.9153 22.9437 PRESSURE: 1519800 312.769 102.259 -276.839 102.26 202.212 80.9482 -276.839 80.9484 135.109 GPRESSURE: 1519800 371.818 17.5422 -221.979 205.389 240.121 176.724 -283.6 -4.38157 127.567 PRESSAVG: 1519800 -17.0604 76.7936 -15.6693 76.7935 57.964 -37.123 -15.6694 -37.123 -19.8708 GPRESSAVG: 1519800 -16.0065 74.3697 -13.8341 78.2872 56.9903 -37.2616 -18.5342 -36.9124 -19.777 TIMING: 1519800 CPU: 4406.42, 0.00291778/step Wall: 4406.42, 0.00291778/step, 2.82069 hours remaining, 210.636719 MB of memory in use. ENERGY: 1519800 723.0357 2024.1747 1938.8472 109.7104 -206945.0697 18081.7928 0.0000 0.0000 34298.7564 -149768.7525 299.5396 -184067.5089 -149674.0681 298.0925 216.6966 246.5021 555936.3873 7.0109 7.0689 PRESSURE: 1520000 -266.865 157.224 -18.5439 157.223 -255.287 66.1294 -18.5441 66.1287 -148.856 GPRESSURE: 1520000 -264.728 189.73 -15.35 109.864 -237.612 27.4484 18.8252 159.803 -71.1799 PRESSAVG: 1520000 -47.0903 60.7505 -5.33748 60.7506 -23.8225 76.4286 -5.33747 76.4286 84.2922 GPRESSAVG: 1520000 -48.3609 61.9888 -6.59268 59.6604 -22.993 76.5588 -2.04935 76.6856 84.9341 TIMING: 1520000 CPU: 4407, 0.00290461/step Wall: 4407, 0.00290461/step, 2.80779 hours remaining, 210.636719 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: 1520000 757.1295 2113.6337 1949.5730 126.5212 -206517.1310 17669.2953 0.0000 0.0000 34394.2109 -149506.7674 300.3732 -183900.9783 -149406.4738 298.8058 -223.6692 -191.1735 558445.0195 4.4598 4.5267 PRESSURE: 1520200 199.159 56.3671 37.9254 56.3665 -118.554 5.99919 37.9255 6 -84.1452 GPRESSURE: 1520200 193.093 87.7728 -52.575 -12.7503 -59.1778 36.0229 33.5471 -30.9175 -28.409 PRESSAVG: 1520200 -49.3596 26.6999 1.35926 26.6999 11.1243 46.3641 1.35916 46.3642 23.5546 GPRESSAVG: 1520200 -49.2711 25.3563 0.953796 27.4536 10.5766 45.4408 1.14289 45.4871 23.498 TIMING: 1520200 CPU: 4407.58, 0.00290792/step Wall: 4407.58, 0.00290792/step, 2.81083 hours remaining, 210.636719 MB of memory in use. ENERGY: 1520200 747.0739 2054.0507 1964.4078 99.8121 -206416.8977 17862.2342 0.0000 0.0000 34213.3268 -149475.9922 298.7935 -183689.3190 -149379.8082 298.5076 -1.1799 35.1686 557303.8949 -4.8936 -5.0655 LDB: ============= START OF LOAD BALANCING ============== 4410.97 LDB: ============== END OF LOAD BALANCING =============== 4410.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4410.97 LDB: ============= START OF LOAD BALANCING ============== 4411.26 LDB: Largest compute 4820 load 0.022976 is 19.5% of average load 0.117935 LDB: Average compute 0.001716 is 1.5% of average load 0.117935 LDB: TIME 4411.26 LOAD: AVG 0.117935 MAX 0.184547 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.211 MB LDB: TIME 4411.27 LOAD: AVG 0.117935 MAX 0.184547 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.211 MB LDB: TIME 4411.27 LOAD: AVG 0.117935 MAX 0.184547 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.211 MB LDB: ============== END OF LOAD BALANCING =============== 4411.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4411.27 PRESSURE: 1520400 -1.1059 -91.8795 33.4481 -91.8795 83.9229 104.542 33.4482 104.541 32.7737 GPRESSURE: 1520400 18.1433 -111.889 70.6146 -53.7551 146.062 51.5591 -37.3591 15.6225 46.4719 PRESSAVG: 1520400 -14.4799 -6.31075 -18.0878 -6.31079 20.4391 8.96389 -18.0877 8.96384 -49.4456 GPRESSAVG: 1520400 -14.0094 -3.85048 -16.6002 -9.78054 20.8297 10.5563 -19.7745 7.90311 -50.1928 TIMING: 1520400 CPU: 4408.18, 0.00297435/step Wall: 4408.18, 0.00297436/step, 2.87488 hours remaining, 208.929688 MB of memory in use. ENERGY: 1520400 742.8968 2100.6339 1943.8819 112.7700 -206590.4760 17915.8154 0.0000 0.0000 34325.8780 -149448.6001 299.7764 -183774.4781 -149345.6458 298.7257 38.5302 70.2257 556415.9721 -14.4955 -14.4575 PRESSURE: 1520600 -104.8 192.581 72.7534 192.579 -76.2612 87.1077 72.7542 87.1068 146.885 GPRESSURE: 1520600 -45.7039 111.506 58.2321 177.57 -63.8923 55.035 65.5816 110.415 179.844 PRESSAVG: 1520600 3.59326 -33.7258 -34.605 -33.7259 8.81397 10.2646 -34.605 10.2647 -4.8126 GPRESSAVG: 1520600 3.70128 -35.0066 -33.7153 -31.4644 8.50053 9.71394 -35.613 11.757 -4.73462 TIMING: 1520600 CPU: 4408.76, 0.00290782/step Wall: 4408.76, 0.00290782/step, 2.81041 hours remaining, 209.074219 MB of memory in use. ENERGY: 1520600 772.8604 2104.8951 1957.8882 102.1512 -206414.8491 17862.9748 0.0000 0.0000 34308.9166 -149305.1628 299.6283 -183614.0794 -149221.8776 298.6742 -11.3918 23.4161 556949.4719 2.5315 2.4891 PRESSURE: 1520800 -264.186 -191.864 -6.20036 -191.863 -165.388 202.567 -6.20054 202.567 51.7168 GPRESSURE: 1520800 -119.074 -129.822 -71.5534 -224.442 -169.088 321.21 38.5992 139.841 16.3134 PRESSAVG: 1520800 -63.3679 7.15321 -17.1465 7.1531 36.8685 25.1425 -17.1465 25.1426 57.4856 GPRESSAVG: 1520800 -63.9112 8.40654 -17.7611 6.68101 36.8768 25.3285 -15.7512 24.2644 57.6139 TIMING: 1520800 CPU: 4409.35, 0.00294381/step Wall: 4409.35, 0.00294381/step, 2.84503 hours remaining, 209.074219 MB of memory in use. ENERGY: 1520800 744.2824 2129.0025 1978.2431 108.9862 -205983.3818 17618.7331 0.0000 0.0000 34272.4736 -149131.6610 299.3100 -183404.1345 -149035.8678 298.9561 -125.9525 -90.6163 557346.9693 10.3287 10.1932 PRESSURE: 1521000 201.943 -17.4485 60.8404 -17.4481 172.269 7.10623 60.8395 7.10601 -129.701 GPRESSURE: 1521000 219.871 6.91427 -18.1511 -45.8987 172.862 57.1805 50.2726 -117.858 -53.1839 PRESSAVG: 1521000 -39.4961 40.9208 -71.2409 40.9208 20.355 -28.4688 -71.2408 -28.4688 12.1761 GPRESSAVG: 1521000 -39.6023 40.4549 -72.0091 39.2955 20.4526 -27.6384 -71.3396 -26.0855 12.0935 TIMING: 1521000 CPU: 4409.93, 0.00289465/step Wall: 4409.93, 0.00289465/step, 2.79736 hours remaining, 209.152344 MB of memory in use. ENERGY: 1521000 762.5179 2075.5673 1977.3986 115.2866 -206119.4206 17830.1694 0.0000 0.0000 34093.0651 -149265.4156 297.7432 -183358.4808 -149172.7774 299.7570 81.5035 113.1828 556499.7733 -2.3217 -2.3521 PRESSURE: 1521200 -109.641 -72.24 136.8 -72.2401 145.665 -51.0197 136.799 -51.0179 105.7 GPRESSURE: 1521200 -123.045 -124.247 134.243 -89.4536 192.681 6.49194 114.128 -76.8709 171.701 PRESSAVG: 1521200 -12.668 33.7633 14.2156 33.7633 -68.6473 9.85199 14.2156 9.85209 52.7416 GPRESSAVG: 1521200 -13.7212 33.0157 13.5655 36.2303 -67.4673 9.55518 15.0547 8.25256 52.9656 TIMING: 1521200 CPU: 4410.5, 0.00289493/step Wall: 4410.5, 0.00289493/step, 2.79746 hours remaining, 209.152344 MB of memory in use. ENERGY: 1521200 702.0710 2084.2778 1921.1851 117.9221 -206294.8599 17912.0896 0.0000 0.0000 34320.9293 -149236.3849 299.7332 -183557.3142 -149130.7948 299.4648 47.2413 80.4459 557831.0256 -9.5246 -9.4076 PRESSURE: 1521400 -72.3094 139.347 -30.4077 139.346 -12.7592 -330.793 -30.4083 -330.792 149.454 GPRESSURE: 1521400 -29.7295 162.915 -60.9204 186.231 19.6443 -382.795 -17.1415 -218.454 163.893 PRESSAVG: 1521400 -30.0474 -19.2493 4.58105 -19.2494 12.0547 -25.6396 4.58104 -25.6395 36.7934 GPRESSAVG: 1521400 -29.8836 -18.1236 5.69776 -20.0969 11.8499 -27.225 5.65638 -23.9947 36.3469 TIMING: 1521400 CPU: 4411.08, 0.00287282/step Wall: 4411.08, 0.00287282/step, 2.77595 hours remaining, 209.152344 MB of memory in use. ENERGY: 1521400 796.6862 2105.8289 1955.0043 100.0401 -206265.7261 17828.1637 0.0000 0.0000 34377.9532 -149102.0497 300.2312 -183480.0029 -149004.3360 299.7144 21.4619 51.2693 556448.8923 6.2669 6.1044 PRESSURE: 1521600 -218.504 0.740129 62.2389 0.73993 39.5834 -14.7496 62.2373 -14.7499 16.3841 GPRESSURE: 1521600 -179.233 -104.651 6.5393 83.2916 69.8178 -24.6025 75.9828 -54.6735 35.3068 PRESSAVG: 1521600 -12.5528 19.9137 -19.1938 19.9137 -10.0943 1.04697 -19.1938 1.04692 -10.6793 GPRESSAVG: 1521600 -12.64 17.6102 -18.6783 21.087 -11.1465 0.600708 -21.6801 0.41162 -9.6348 TIMING: 1521600 CPU: 4411.66, 0.00288092/step Wall: 4411.66, 0.00288093/step, 2.78361 hours remaining, 209.152344 MB of memory in use. ENERGY: 1521600 745.8989 2075.8590 1928.4161 121.5661 -206112.1251 17764.4637 0.0000 0.0000 34374.1281 -149101.7931 300.1978 -183475.9213 -149005.4223 300.5091 -54.1787 -24.7029 557012.0992 -11.1088 -11.1404 PRESSURE: 1521800 -59.5774 33.2029 120.283 33.2027 -110.914 94.8191 120.281 94.8184 77.6587 GPRESSURE: 1521800 17.9939 77.0141 91.6623 11.4854 -111.122 126.632 111.709 132.303 100.555 PRESSAVG: 1521800 -23.6623 -30.9339 29.5043 -30.9339 -8.41356 -29.6425 29.5044 -29.6426 47.4846 GPRESSAVG: 1521800 -23.1604 -29.0281 27.5332 -33.6109 -8.56108 -30.1223 33.3662 -30.4352 47.4296 TIMING: 1521800 CPU: 4412.23, 0.0028713/step Wall: 4412.23, 0.0028713/step, 2.77416 hours remaining, 209.152344 MB of memory in use. ENERGY: 1521800 770.1529 2131.9967 1928.1747 118.5772 -206031.0376 17834.8458 0.0000 0.0000 34132.9986 -149114.2918 298.0920 -183247.2904 -149016.7709 299.4550 -30.9443 2.4756 557135.8949 5.1363 5.2360 PRESSURE: 1522000 211.62 -68.6814 -42.9533 -68.6813 -245.384 -215.905 -42.9541 -215.905 67.7933 GPRESSURE: 1522000 202.433 -126.924 22.8168 -63.1337 -199.205 -190.332 -11.0459 -227.829 129.55 PRESSAVG: 1522000 -20.6276 8.87914 38.1492 8.87918 -38.1074 -12.1879 38.1492 -12.188 24.0195 GPRESSAVG: 1522000 -20.3175 6.14755 39.0132 10.5447 -37.9925 -10.2442 35.3803 -11.9306 23.5322 TIMING: 1522000 CPU: 4412.8, 0.00286381/step Wall: 4412.8, 0.00286381/step, 2.76676 hours remaining, 209.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1522000 758.8103 2094.3083 1941.8482 124.0116 -206173.8177 17702.7098 0.0000 0.0000 34264.6373 -149287.4922 299.2416 -183552.1295 -149190.2966 299.4810 11.3431 44.2594 556668.9382 -11.5718 -11.5926 PRESSURE: 1522200 -88.4025 236.744 32.6082 236.744 61.0882 -44.9618 32.6083 -44.9621 256.69 GPRESSURE: 1522200 -86.6854 195.594 27.1486 257.619 109.126 -38.8097 3.41518 -96.7464 302.246 PRESSAVG: 1522200 6.29381 -26.4717 39.0025 -26.4716 -34.449 -11.0253 39.0025 -11.0253 33.5584 GPRESSAVG: 1522200 7.04244 -25.9009 40.3725 -24.7597 -34.5603 -12.1723 36.8827 -10.422 32.4333 TIMING: 1522200 CPU: 4413.38, 0.00290637/step Wall: 4413.38, 0.00290637/step, 2.80771 hours remaining, 209.152344 MB of memory in use. ENERGY: 1522200 753.1303 2108.1945 1948.3936 136.8520 -206186.0494 17875.8783 0.0000 0.0000 34068.3346 -149295.2660 297.5272 -183363.6006 -149206.1893 299.4500 76.4586 108.2287 556968.1173 1.8011 1.6385 PRESSURE: 1522400 223.91 2.63158 -121.928 2.63089 243.182 -131.557 -121.929 -131.558 189.365 GPRESSURE: 1522400 215.795 5.78416 -111.212 -48.6633 299.427 -159.568 -152.08 -133.793 251.155 PRESSAVG: 1522400 -22.8591 -2.75008 -29.8826 -2.75014 -11.4401 -13.1675 -29.8827 -13.1675 62.3436 GPRESSAVG: 1522400 -23.4933 -3.24619 -32.0017 -4.08014 -11.86 -14.8364 -26.0697 -12.6307 63.0747 TIMING: 1522400 CPU: 4413.96, 0.00289665/step Wall: 4413.96, 0.00289665/step, 2.79817 hours remaining, 209.152344 MB of memory in use. ENERGY: 1522400 695.7705 2085.2221 1947.2747 119.7630 -206525.0239 18105.2523 0.0000 0.0000 34313.5655 -149258.1757 299.6689 -183571.7412 -149160.5342 298.8455 218.8186 255.4588 556918.8921 9.3481 9.2405 PRESSURE: 1522600 -245.516 -96.0176 98.3709 -96.0173 99.2683 8.12152 98.3722 8.12457 73.0079 GPRESSURE: 1522600 -206.887 -64.7719 56.4712 -125.204 114.059 1.17371 117.982 -39.5256 118.716 PRESSAVG: 1522600 22.4645 -33.0483 37.7301 -33.0483 -18.3793 9.50431 37.7301 9.50442 -27.6956 GPRESSAVG: 1522600 21.5411 -31.0491 40.0733 -32.1683 -17.2998 10.4871 35.5602 8.56362 -27.6668 TIMING: 1522600 CPU: 4414.54, 0.00288206/step Wall: 4414.54, 0.00288206/step, 2.78391 hours remaining, 209.152344 MB of memory in use. ENERGY: 1522600 742.5940 2054.3628 1937.7806 121.1421 -206320.4767 17998.2025 0.0000 0.0000 34353.2167 -149113.1780 300.0152 -183466.3947 -149019.4172 299.8780 -24.4133 8.6295 558127.5232 -7.8701 -7.8085 PRESSURE: 1522800 -313.052 -97.3518 92.7223 -97.3521 -120.393 98.6193 92.7229 98.6209 -194.727 GPRESSURE: 1522800 -245.856 -18.9067 71.503 -101.746 -76.8374 119.681 139.909 125.714 -210.959 PRESSAVG: 1522800 -72.6327 -23.4669 14.8249 -23.4668 68.5465 -23.2187 14.8248 -23.2186 37.3553 GPRESSAVG: 1522800 -72.3694 -23.596 14.3714 -24.9481 68.4874 -22.8204 14.172 -23.5325 37.2225 TIMING: 1522800 CPU: 4415.12, 0.00291638/step Wall: 4415.12, 0.00291638/step, 2.8169 hours remaining, 209.152344 MB of memory in use. ENERGY: 1522800 737.0695 2090.0673 1927.0346 117.8952 -205953.3255 17442.0098 0.0000 0.0000 34384.3240 -149254.9251 300.2869 -183639.2491 -149154.0142 299.0647 -209.3903 -177.8839 557426.8843 11.0897 11.1135 PRESSURE: 1523000 -186.955 -63.2806 18.5202 -63.2813 -173.563 -128.738 18.5187 -128.739 -336.372 GPRESSURE: 1523000 -213.15 -95.174 27.1287 -19.9041 -95.6257 -51.6253 87.0314 -73.9235 -282.278 PRESSAVG: 1523000 11.0307 -7.48989 60.3828 -7.48985 26.5307 17.2552 60.3828 17.255 -10.6642 GPRESSAVG: 1523000 9.96258 -7.87325 59.9446 -7.26419 27.3444 14.9432 62.361 20.0524 -10.1339 TIMING: 1523000 CPU: 4415.7, 0.00290522/step Wall: 4415.7, 0.00290522/step, 2.80595 hours remaining, 209.152344 MB of memory in use. ENERGY: 1523000 716.1098 2067.3700 1940.2557 108.5982 -205712.6731 17320.3987 0.0000 0.0000 34456.3364 -149103.6043 300.9158 -183559.9407 -148999.9990 299.8100 -232.2967 -197.0181 556400.9255 8.9657 9.0577 PRESSURE: 1523200 286.502 102.41 -64.7719 102.408 29.9675 -9.58807 -64.7712 -9.58919 36.4689 GPRESSURE: 1523200 279.924 73.32 -102.937 69.9109 90.0963 -111.274 -94.3507 13.8248 96.9182 PRESSAVG: 1523200 -2.04216 -9.9902 -13.7898 -9.99018 33.8444 52.7986 -13.7898 52.7985 -10.1664 GPRESSAVG: 1523200 -0.0617402 -10.9411 -12.4596 -9.8531 33.3399 54.6204 -15.5431 52.6043 -10.958 TIMING: 1523200 CPU: 4416.29, 0.00290681/step Wall: 4416.29, 0.00290681/step, 2.80733 hours remaining, 209.152344 MB of memory in use. ENERGY: 1523200 761.0909 2103.8382 1921.5820 118.2829 -206079.5545 17849.6413 0.0000 0.0000 34247.4411 -149077.6781 299.0914 -183325.1193 -148978.1986 299.8202 117.6463 155.6462 554598.3764 7.2120 7.4401 PRESSURE: 1523400 -4.3782 -25.9455 81.1199 -25.9454 -244.832 108.288 81.1204 108.287 81.4988 GPRESSURE: 1523400 7.97471 -46.7249 47.7505 -2.87796 -156.447 157.56 50.1678 90.3898 84.2818 PRESSAVG: 1523400 -47.965 26.1851 31.4084 26.1851 22.4098 -10.0114 31.4084 -10.0115 51.1505 GPRESSAVG: 1523400 -48.112 26.1547 29.3064 27.503 21.8555 -9.46996 32.8977 -9.99061 51.5204 TIMING: 1523400 CPU: 4416.86, 0.00289009/step Wall: 4416.86, 0.0028901/step, 2.79103 hours remaining, 209.152344 MB of memory in use. ENERGY: 1523400 772.8287 2126.9538 1933.5047 112.9199 -205912.6079 17615.1406 0.0000 0.0000 34276.6913 -149074.5690 299.3469 -183351.2603 -148983.3684 299.1704 -55.9038 -21.3967 557021.3736 8.5318 8.4213 PRESSURE: 1523600 -87.4918 -144.19 -2.4162 -144.189 -74.3205 13.4057 -2.41702 13.4071 -136.586 GPRESSURE: 1523600 -90.341 -103.475 -3.30379 -190.965 -15.2803 -12.4338 59.657 51.3188 -92.9232 PRESSAVG: 1523600 3.61734 13.538 14.2435 13.538 -35.7548 16.0414 14.2435 16.0414 23.8323 GPRESSAVG: 1523600 4.0458 14.8155 15.4852 14.9123 -35.3225 12.9215 13.4429 17.4119 22.7056 TIMING: 1523600 CPU: 4417.44, 0.00288173/step Wall: 4417.44, 0.00288173/step, 2.78279 hours remaining, 209.152344 MB of memory in use. ENERGY: 1523600 758.6764 2124.3461 1948.3230 117.2046 -206093.1576 17628.8477 0.0000 0.0000 34374.5352 -149141.2245 300.2014 -183515.7596 -149043.1938 299.6352 -99.4662 -66.1815 556094.4770 -2.7684 -2.8570 PRESSURE: 1523800 -240.963 -40.9086 35.0183 -40.9103 -168.013 55.0922 35.0185 55.0906 -166.302 GPRESSURE: 1523800 -179.316 -28.7825 40.6886 -86.3228 -122.875 137.197 -30.8543 39.3253 -167.853 PRESSAVG: 1523800 -6.61232 -2.25983 1.24445 -2.25986 -16.8012 26.7188 1.24459 26.7189 52.9342 GPRESSAVG: 1523800 -5.91466 -1.71278 1.76255 -5.14856 -18.332 30.2171 1.80356 24.6711 54.1578 TIMING: 1523800 CPU: 4418.02, 0.00288536/step Wall: 4418.02, 0.00288536/step, 2.78613 hours remaining, 209.152344 MB of memory in use. ENERGY: 1523800 741.0775 2069.8547 1947.8355 119.4346 -205645.7326 17439.9628 0.0000 0.0000 34152.4405 -149175.1270 298.2618 -183327.5676 -149085.4609 299.0831 -191.7595 -156.6814 558409.9915 9.8402 9.9704 PRESSURE: 1524000 -60.9311 55.067 -79.5358 55.0671 -38.825 97.5156 -79.5352 97.5158 63.9589 GPRESSURE: 1524000 7.72145 -20.2889 -88.7149 68.9408 -8.6999 101.619 -60.8273 111.155 59.8792 PRESSAVG: 1524000 40.3443 35.5946 -59.7388 35.5947 -26.2676 52.0098 -59.7389 52.0098 -42.1189 GPRESSAVG: 1524000 39.2743 34.7005 -61.324 35.9732 -24.65 51.077 -59.6145 51.5786 -42.9906 TIMING: 1524000 CPU: 4418.59, 0.00289016/step Wall: 4418.59, 0.00289016/step, 2.79061 hours remaining, 209.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1524000 752.3867 2074.5397 1921.6131 117.1385 -205848.5436 17772.3061 0.0000 0.0000 34088.8241 -149121.7354 297.7062 -183210.5595 -149016.5675 298.8410 -11.9324 19.6336 558907.6461 -9.3474 -9.4554 PRESSURE: 1524200 -76.0625 -50.2362 -29.5957 -50.2375 -38.1262 102.603 -29.5952 102.604 123.19 GPRESSURE: 1524200 -28.9817 -74.4024 -7.80571 0.940736 4.18123 102.653 -57.0688 181.453 135.154 PRESSAVG: 1524200 -26.3366 -58.03 -9.88746 -58.0299 -76.7706 34.3272 -9.88747 34.3272 95.9858 GPRESSAVG: 1524200 -26.1136 -56.0842 -8.80559 -58.7145 -76.7372 33.4694 -9.14325 35.3774 95.9614 TIMING: 1524200 CPU: 4419.17, 0.00288321/step Wall: 4419.17, 0.00288321/step, 2.78374 hours remaining, 209.152344 MB of memory in use. ENERGY: 1524200 733.0801 2070.0352 1921.6758 109.6206 -206113.9677 17921.9375 0.0000 0.0000 34291.1809 -149066.4376 299.4734 -183357.6185 -148970.1313 299.6742 3.0005 36.7844 558902.2250 -2.3738 -2.2964 LDB: ============= START OF LOAD BALANCING ============== 4422.56 LDB: ============== END OF LOAD BALANCING =============== 4422.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4422.56 LDB: ============= START OF LOAD BALANCING ============== 4422.85 LDB: Largest compute 4820 load 0.022651 is 19.2% of average load 0.118039 LDB: Average compute 0.001707 is 1.4% of average load 0.118039 LDB: TIME 4422.85 LOAD: AVG 0.118039 MAX 0.184352 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.344 MB LDB: TIME 4422.85 LOAD: AVG 0.118039 MAX 0.184352 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.348 MB LDB: TIME 4422.85 LOAD: AVG 0.118039 MAX 0.184352 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4422.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4422.85 PRESSURE: 1524400 -154.067 6.21657 -22.7727 6.21643 -95.221 -47.7656 -22.7727 -47.7634 -190.846 GPRESSURE: 1524400 -111.301 100.663 -9.31731 -36.4415 -85.3932 -18.1655 -25.5607 -83.2161 -153.726 PRESSAVG: 1524400 -26.5778 -8.23165 -5.98677 -8.23157 -59.3878 17.8314 -5.98681 17.8315 92.9376 GPRESSAVG: 1524400 -26.4423 -9.2251 -5.85634 -8.51319 -59.2295 18.9215 -7.56113 18.14 92.4328 TIMING: 1524400 CPU: 4419.76, 0.00293636/step Wall: 4419.76, 0.00293636/step, 2.83489 hours remaining, 209.402344 MB of memory in use. ENERGY: 1524400 721.3192 2063.9292 1941.7676 109.3781 -206114.3246 17603.4853 0.0000 0.0000 34450.4815 -149223.9637 300.8646 -183674.4452 -149126.3011 299.3441 -146.7115 -116.8068 557341.2292 2.3240 2.2537 PRESSURE: 1524600 320.045 72.0674 69.8816 72.0675 -64.3239 -63.5939 69.8812 -63.5939 -57.5133 GPRESSURE: 1524600 331.813 65.339 36.9066 66.652 -33.4224 -50.1931 159.885 -43.8209 8.28605 PRESSAVG: 1524600 13.2956 -52.536 -25.0295 -52.536 -30.9643 22.5155 -25.0296 22.5155 5.67105 GPRESSAVG: 1524600 12.5195 -52.9506 -25.0825 -51.9193 -32.2777 21.424 -24.2372 21.2844 7.41958 TIMING: 1524600 CPU: 4420.34, 0.002912/step Wall: 4420.34, 0.002912/step, 2.81122 hours remaining, 209.601562 MB of memory in use. ENERGY: 1524600 743.0880 2040.1682 1942.9229 118.0338 -205866.5712 17729.1673 0.0000 0.0000 34077.2995 -149215.8916 297.6055 -183293.1911 -149119.6436 299.3079 66.0694 102.2256 558533.2012 -3.9992 -4.1129 PRESSURE: 1524800 -157.661 -196.524 13.8393 -196.524 -127.048 148.552 13.8382 148.552 19.286 GPRESSURE: 1524800 -106.983 -94.2094 -72.1926 -196.743 -23.5286 134.986 92.755 172.704 -25.3704 PRESSAVG: 1524800 -3.13504 -59.4721 66.0308 -59.4721 -7.43689 1.74385 66.0308 1.74387 35.8958 GPRESSAVG: 1524800 -0.735013 -57.9686 65.8291 -60.9698 -6.37959 2.4734 66.8078 2.07007 32.7685 TIMING: 1524800 CPU: 4420.92, 0.00290417/step Wall: 4420.92, 0.00290417/step, 2.80349 hours remaining, 209.601562 MB of memory in use. ENERGY: 1524800 757.7385 2085.7642 1958.6885 95.4330 -205748.7555 17573.2284 0.0000 0.0000 34133.0527 -149144.8503 298.0924 -183277.9030 -149052.5437 299.3541 -88.4744 -51.9607 559038.4597 8.4413 8.5513 PRESSURE: 1525000 21.8946 -85.772 37.048 -85.7718 -169.745 80.923 37.0468 80.9226 -118.668 GPRESSURE: 1525000 20.3488 -46.6448 -5.95078 -40.171 -114.632 81.0679 4.88018 33.5781 -83.3026 PRESSAVG: 1525000 26.4166 -23.865 -2.01732 -23.865 59.7672 -10.2856 -2.01733 -10.2855 -69.9513 GPRESSAVG: 1525000 24.3624 -25.5695 -2.51825 -21.0423 60.7942 -10.854 -4.41927 -9.4783 -69.0311 TIMING: 1525000 CPU: 4421.5, 0.00289414/step Wall: 4421.5, 0.00289414/step, 2.79365 hours remaining, 209.601562 MB of memory in use. ENERGY: 1525000 722.4041 2090.8660 1947.2213 97.5293 -205924.7714 17733.0484 0.0000 0.0000 34288.3789 -149045.3234 299.4489 -183333.7023 -148949.3733 299.8667 -88.8393 -59.1953 560076.6174 5.4108 5.3752 PRESSURE: 1525200 -188.858 62.6736 20.9133 62.6727 -150.598 -142.642 20.9114 -142.641 206.675 GPRESSURE: 1525200 -131.392 84.4791 -40.2619 57.1395 -143.181 -94.3036 -46.4818 -175.948 250.055 PRESSAVG: 1525200 42.6386 -55.2682 -17.8841 -55.2682 -39.5165 -17.3326 -17.8841 -17.3327 -48.8854 GPRESSAVG: 1525200 43.9963 -56.9842 -17.912 -57.1618 -42.0859 -15.4724 -16.7135 -18.364 -47.9224 TIMING: 1525200 CPU: 4422.08, 0.00289454/step Wall: 4422.08, 0.00289454/step, 2.79387 hours remaining, 209.601562 MB of memory in use. ENERGY: 1525200 760.8920 2042.3499 1949.3425 99.2170 -206107.7468 17895.5058 0.0000 0.0000 34468.4250 -148892.0146 301.0213 -183360.4396 -148796.1543 300.1313 -44.2603 -8.1731 558917.0915 -15.2544 -15.3373 PRESSURE: 1525400 -218.25 113.135 -104.324 113.134 8.12484 74.3969 -104.324 74.3968 -100.438 GPRESSURE: 1525400 -140.228 87.3753 -32.7937 131.663 11.4554 76.0884 -115.527 88.421 -84.6361 PRESSAVG: 1525400 -32.2987 19.091 21.2795 19.091 -37.7395 -17.0182 21.2795 -17.0182 71.958 GPRESSAVG: 1525400 -33.023 22.1996 21.7886 17.2003 -35.857 -20.5717 21.5623 -15.5931 71.2183 TIMING: 1525400 CPU: 4422.66, 0.00289464/step Wall: 4422.66, 0.00289464/step, 2.79381 hours remaining, 209.601562 MB of memory in use. ENERGY: 1525400 752.8176 2134.7138 1944.0932 121.7886 -206032.0916 17645.8180 0.0000 0.0000 34428.3561 -149004.5045 300.6714 -183432.8605 -148913.9440 300.5153 -103.5212 -71.1361 559012.4288 0.6400 0.7794 PRESSURE: 1525600 -91.6151 155.917 10.5874 155.918 54.3721 -139.952 10.587 -139.953 281.962 GPRESSURE: 1525600 -23.4666 216.399 44.0958 87.6904 88.4621 -172.429 76.6511 -74.5662 287.263 PRESSAVG: 1525600 -4.11848 79.5581 56.7021 79.5583 27.8539 -2.85246 56.7021 -2.85255 68.7044 GPRESSAVG: 1525600 -4.51473 77.5124 55.5438 81.124 27.9512 -1.39628 55.237 -4.05117 68.8899 TIMING: 1525600 CPU: 4423.24, 0.00290852/step Wall: 4423.24, 0.00290852/step, 2.80704 hours remaining, 209.601562 MB of memory in use. ENERGY: 1525600 726.4497 2057.3743 1972.5358 127.9144 -206162.9689 17940.6638 0.0000 0.0000 34200.2376 -149137.7932 298.6792 -183338.0308 -149048.7396 299.7264 81.5729 117.4195 557408.6318 30.8133 30.7754 PRESSURE: 1525800 -60.1383 -22.5732 -41.5346 -22.5732 -36.2525 21.2456 -41.5351 21.2441 239.122 GPRESSURE: 1525800 15.3477 58.3937 24.966 -24.0509 -23.131 23.8916 -98.7951 35.6994 258.211 PRESSAVG: 1525800 -77.9486 12.3676 5.58525 12.3675 -11.2023 40.1183 5.58523 40.1182 46.4706 GPRESSAVG: 1525800 -76.4203 12.7185 5.75848 13.7607 -11.3858 40.5938 5.28831 39.7682 45.6853 TIMING: 1525800 CPU: 4423.82, 0.00291367/step Wall: 4423.82, 0.00291367/step, 2.81186 hours remaining, 209.601562 MB of memory in use. ENERGY: 1525800 732.5803 2073.5359 1965.7639 111.7701 -205860.3466 17566.5006 0.0000 0.0000 34191.4302 -149218.7657 298.6023 -183410.1959 -149128.3038 298.9803 47.5771 83.4760 555889.2770 -14.2268 -14.0403 PRESSURE: 1526000 -234.705 -82.6778 -232.43 -82.6774 152.652 -76.7762 -232.431 -76.7771 -153.311 GPRESSURE: 1526000 -201.483 -136.831 -304.765 -2.27956 198.394 -45.8822 -179.252 -107.859 -137.894 PRESSAVG: 1526000 -89.8606 21.1464 -13.0333 21.1463 62.6787 1.07935 -13.0333 1.07943 70.9829 GPRESSAVG: 1526000 -90.3254 21.9781 -15.2066 19.8312 61.8458 1.08496 -10.3667 2.21215 72.6533 TIMING: 1526000 CPU: 4424.4, 0.00290793/step Wall: 4424.4, 0.00290793/step, 2.80616 hours remaining, 209.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1526000 758.3882 2077.6278 1959.1806 123.7135 -205667.3597 17418.8864 0.0000 0.0000 34384.9141 -148944.6491 300.2920 -183329.5632 -148847.9851 299.1501 -78.4546 -46.9943 556700.3769 14.6003 14.7246 PRESSURE: 1526200 -61.2748 63.1179 -106.77 63.1166 72.449 -103.604 -106.771 -103.601 27.4841 GPRESSURE: 1526200 -76.3313 67.8395 -19.164 3.00058 132.908 -57.6923 -47.2314 -146.554 72.4307 PRESSAVG: 1526200 42.3125 -8.14947 -61.5838 -8.14947 30.7071 -15.8022 -61.5837 -15.8023 -6.92178 GPRESSAVG: 1526200 42.1082 -10.45 -58.9051 -5.52106 32.0062 -14.7072 -65.1956 -16.2229 -8.27823 TIMING: 1526200 CPU: 4424.99, 0.00290685/step Wall: 4424.99, 0.00290685/step, 2.80495 hours remaining, 209.875000 MB of memory in use. ENERGY: 1526200 737.4595 2094.0376 1972.6248 125.8314 -206164.6687 17824.0338 0.0000 0.0000 34320.9682 -149089.7135 299.7336 -183410.6817 -148998.1010 299.4494 12.8861 43.0023 557395.5035 22.0326 21.9454 PRESSURE: 1526400 -121.966 -85.624 -99.4432 -85.6231 -177.494 197.016 -99.4416 197.014 104.471 GPRESSURE: 1526400 -64.1569 -120.634 -39.5455 8.3613 -105.143 203.949 -51.3646 241.133 77.769 PRESSAVG: 1526400 -33.2843 71.0691 -24.0118 71.0692 62.5811 -10.1056 -24.0117 -10.1056 -5.13077 GPRESSAVG: 1526400 -33.2001 70.4751 -21.9704 70.2901 62.6035 -11.6239 -23.9632 -9.91818 -5.11003 TIMING: 1526400 CPU: 4425.56, 0.00288931/step Wall: 4425.56, 0.00288931/step, 2.78786 hours remaining, 209.875000 MB of memory in use. ENERGY: 1526400 692.4515 2131.2707 1946.2086 119.3218 -205783.7251 17613.2110 0.0000 0.0000 34137.5933 -149143.6682 298.1321 -183281.2615 -149048.0743 300.1581 -64.9962 -30.5102 556812.3859 8.0553 8.0978 PRESSURE: 1526600 -134.958 174.998 29.1606 174.998 -172.294 -66.6675 29.1594 -66.6683 -233.785 GPRESSURE: 1526600 -105.495 222.142 -36.2614 135.124 -124.914 -115.551 41.1099 -56.1689 -212.679 PRESSAVG: 1526600 9.74952 6.39672 -6.48665 6.3967 41.1005 14.2346 -6.48667 14.2346 -41.6924 GPRESSAVG: 1526600 8.94084 8.95202 -6.42831 5.03408 41.199 14.9846 -4.92701 15.889 -41.1578 TIMING: 1526600 CPU: 4426.14, 0.00290134/step Wall: 4426.14, 0.00290134/step, 2.79931 hours remaining, 209.875000 MB of memory in use. ENERGY: 1526600 782.3933 2056.2798 1962.5465 125.7132 -205980.6868 17613.9357 0.0000 0.0000 34375.1547 -149064.6635 300.2068 -183439.8182 -148964.6711 299.6284 -180.3458 -147.6960 556993.0169 3.0525 2.9940 PRESSURE: 1526800 10.828 -79.4314 -130.461 -79.4319 199.686 49.5135 -130.461 49.5112 193.211 GPRESSURE: 1526800 63.7308 -108.565 -7.13185 -82.4909 269.631 -1.00639 -155.785 59.3928 160.258 PRESSAVG: 1526800 -22.3746 -8.36065 -6.5972 -8.36055 23.8335 -10.5175 -6.59724 -10.5176 -2.2226 GPRESSAVG: 1526800 -21.7227 -11.1664 -8.22119 -8.61156 23.5134 -9.1894 -6.69247 -13.9719 -2.59056 TIMING: 1526800 CPU: 4426.72, 0.0028953/step Wall: 4426.72, 0.0028953/step, 2.79332 hours remaining, 209.875000 MB of memory in use. ENERGY: 1526800 742.2463 2116.4245 1921.6195 100.1145 -206462.9044 17998.0020 0.0000 0.0000 34331.0388 -149253.4587 299.8215 -183584.4975 -149151.0435 299.0131 134.5749 164.5399 556643.6939 -0.2546 -0.2666 PRESSURE: 1527000 -34.8694 -170.889 -28.7047 -170.889 -165.869 85.3974 -28.7055 85.397 52.6569 GPRESSURE: 1527000 -10.7003 -184.076 -95.8231 -119.289 -101.53 75.47 49.9356 57.2182 67.0592 PRESSAVG: 1527000 -0.896087 -11.4257 36.2286 -11.4255 8.33449 61.5422 36.2286 61.5422 9.94269 GPRESSAVG: 1527000 -1.3059 -11.9173 36.1284 -10.0263 8.98994 61.1901 36.4392 62.5243 9.69809 TIMING: 1527000 CPU: 4427.3, 0.00290546/step Wall: 4427.3, 0.00290546/step, 2.80297 hours remaining, 209.875000 MB of memory in use. ENERGY: 1527000 727.8542 2056.5104 1943.0959 111.1869 -205987.7270 17684.0628 0.0000 0.0000 34218.7732 -149246.2436 298.8411 -183465.0168 -149150.7323 298.3551 -49.3606 -15.0571 557753.5517 5.7937 5.7940 PRESSURE: 1527200 19.0633 -106.776 62.2271 -106.776 23.8093 11.1973 62.2254 11.197 -83.5329 GPRESSURE: 1527200 3.03699 -71.7252 -22.127 1.34709 53.8414 23.4494 136.206 -20.5431 -14.6312 PRESSAVG: 1527200 18.8376 -42.2998 37.0814 -42.2998 -18.9531 -7.17332 37.0814 -7.17318 34.3513 GPRESSAVG: 1527200 18.3436 -41.598 37.6965 -41.7442 -19.3707 -6.86726 36.8918 -8.33947 35.0746 TIMING: 1527200 CPU: 4427.89, 0.00291717/step Wall: 4427.89, 0.00291717/step, 2.8141 hours remaining, 209.875000 MB of memory in use. ENERGY: 1527200 757.7404 2091.6509 1935.6240 111.1117 -206251.8023 17836.8131 0.0000 0.0000 34101.7768 -149417.0853 297.8193 -183518.8622 -149321.3288 298.4975 -13.5534 14.0824 556471.3726 11.4119 11.3492 PRESSURE: 1527400 -117.07 10.0969 -24.2119 10.0974 108.896 98.6597 -24.2113 98.6599 29.1558 GPRESSURE: 1527400 -31.6386 45.2589 -38.4602 29.0909 64.0586 135.609 19.9463 35.7561 85.8649 PRESSAVG: 1527400 39.5136 -12.9114 55.5275 -12.9114 -43.5351 -52.241 55.5275 -52.2409 -0.209412 GPRESSAVG: 1527400 39.6034 -14.0464 55.5022 -14.1904 -43.6032 -52.6633 56.3582 -51.3308 -0.205256 TIMING: 1527400 CPU: 4428.47, 0.00293313/step Wall: 4428.47, 0.00293313/step, 2.82933 hours remaining, 209.875000 MB of memory in use. ENERGY: 1527400 740.7189 2089.7723 1936.5712 119.4606 -206469.2767 17742.8605 0.0000 0.0000 34429.6151 -149410.2781 300.6824 -183839.8932 -149311.8288 299.2926 6.9942 39.4283 555783.3465 -1.4103 -1.4017 PRESSURE: 1527600 -19.9439 -147.349 -11.2169 -147.349 76.5543 -81.4434 -11.2166 -81.4435 -9.64643 GPRESSURE: 1527600 42.7898 -64.191 -10.7306 -156.17 49.1367 -131.072 29.0081 -57.7458 51.8891 PRESSAVG: 1527600 57.7132 -13.796 17.3416 -13.7961 30.4341 -46.6613 17.3416 -46.6613 -67.5074 GPRESSAVG: 1527600 58.2176 -11.7924 15.0777 -15.4563 30.0228 -47.9635 17.9361 -46.0416 -67.1937 TIMING: 1527600 CPU: 4429.06, 0.00290505/step Wall: 4429.06, 0.00290505/step, 2.80209 hours remaining, 209.875000 MB of memory in use. ENERGY: 1527600 773.9156 2043.6056 1951.5471 117.2325 -206481.3459 17909.5902 0.0000 0.0000 34342.2416 -149343.2134 299.9193 -183685.4550 -149242.4475 298.9141 15.6547 47.9385 555905.7298 6.8800 7.0156 PRESSURE: 1527800 -13.5761 84.5168 19.4513 84.5163 -187.324 -128.362 19.4515 -128.362 -184.638 GPRESSURE: 1527800 39.301 -7.67599 47.6519 174.101 -134.73 -96.7622 25.7759 -61.5122 -186.448 PRESSAVG: 1527800 8.77209 42.2796 -55.9654 42.2797 -6.97695 -43.7241 -55.9653 -43.7241 17.1373 GPRESSAVG: 1527800 8.27615 43.0044 -53.4086 41.1422 -5.76382 -42.7537 -58.9257 -42.9332 16.6451 TIMING: 1527800 CPU: 4429.63, 0.00288403/step Wall: 4429.63, 0.00288403/step, 2.78165 hours remaining, 209.875000 MB of memory in use. ENERGY: 1527800 746.6092 2046.5347 1939.4394 115.4208 -206257.3066 17665.3820 0.0000 0.0000 34348.4673 -149395.4532 299.9737 -183743.9206 -149303.5958 299.5035 -128.5129 -93.9591 557142.8964 6.3108 6.3858 PRESSURE: 1528000 -124.17 37.0996 -33.857 37.0998 -68.0564 -57.8242 -33.8567 -57.8247 89.8196 GPRESSURE: 1528000 -149.932 66.0806 -5.93146 64.694 -33.8888 -51.2221 -114.154 -82.7409 174.699 PRESSAVG: 1528000 11.7155 52.8978 -22.2779 52.8979 -70.1744 2.51534 -22.278 2.51536 37.1084 GPRESSAVG: 1528000 12.1129 51.8226 -23.5079 56.0368 -70.8238 2.84121 -19.9564 0.458621 37.9704 TIMING: 1528000 CPU: 4430.21, 0.00289688/step Wall: 4430.21, 0.00289688/step, 2.79388 hours remaining, 209.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1528000 748.0282 2049.3625 1951.0722 117.5320 -206311.5596 17892.4406 0.0000 0.0000 34138.0513 -149415.0728 298.1361 -183553.1241 -149313.6493 299.3603 -34.1356 -3.0406 557722.2501 -7.1169 -6.9135 PRESSURE: 1528200 296.69 -117.089 -101.244 -117.09 121.556 72.3205 -101.242 72.3212 197.736 GPRESSURE: 1528200 320.401 -28.1815 -171.194 -175.955 164.893 135.295 -20.0987 -9.39489 231.533 PRESSAVG: 1528200 41.3347 -3.13163 -25.1709 -3.13159 -43.1882 -21.5891 -25.1708 -21.5891 52.0234 GPRESSAVG: 1528200 41.3358 -2.52898 -24.9288 -4.4822 -42.2785 -22.8881 -25.8474 -20.279 51.149 TIMING: 1528200 CPU: 4430.79, 0.00290905/step Wall: 4430.79, 0.00290905/step, 2.80545 hours remaining, 209.875000 MB of memory in use. ENERGY: 1528200 713.8554 2125.1082 1951.0218 115.5137 -206631.6143 18189.6814 0.0000 0.0000 34241.0172 -149295.4167 299.0353 -183536.4339 -149199.8126 298.8895 205.3272 238.9426 557337.6097 16.7233 16.7354 LDB: ============= START OF LOAD BALANCING ============== 4434.18 LDB: ============== END OF LOAD BALANCING =============== 4434.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4434.18 LDB: ============= START OF LOAD BALANCING ============== 4434.47 LDB: Largest compute 4792 load 0.024096 is 20.4% of average load 0.118038 LDB: Average compute 0.001718 is 1.5% of average load 0.118038 LDB: TIME 4434.48 LOAD: AVG 0.118038 MAX 0.187337 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 4434.48 LOAD: AVG 0.118038 MAX 0.187337 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.098 MB LDB: TIME 4434.48 LOAD: AVG 0.118038 MAX 0.187337 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.098 MB LDB: ============== END OF LOAD BALANCING =============== 4434.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4434.48 PRESSURE: 1528400 -56.2061 -165.376 -40.7335 -165.376 -254.203 229.337 -40.7333 229.335 -35.4666 GPRESSURE: 1528400 -55.3005 -96.816 -5.58252 -213.289 -200.961 238.709 -134.413 187.146 -5.76846 PRESSAVG: 1528400 -46.7907 -59.6172 -62.8969 -59.6172 -5.65044 51.316 -62.897 51.316 0.238611 GPRESSAVG: 1528400 -45.7254 -61.3189 -62.2762 -58.8106 -6.66203 52.947 -63.6093 49.4247 0.652347 TIMING: 1528400 CPU: 4431.39, 0.00297381/step Wall: 4431.39, 0.00297381/step, 2.86774 hours remaining, 209.566406 MB of memory in use. ENERGY: 1528400 756.4612 2091.8785 1960.9843 106.6992 -206016.7241 17719.8037 0.0000 0.0000 34181.4581 -149199.4391 298.5152 -183380.8972 -149100.0170 298.7438 -115.2919 -87.3433 558336.1975 -17.4008 -17.2450 PRESSURE: 1528600 -87.0699 -179.16 6.02063 -179.16 -200.155 81.8906 6.02016 81.8894 -19.9991 GPRESSURE: 1528600 -58.6225 -142.732 -10.7786 -83.886 -185.415 137.532 56.4916 37.0714 36.8297 PRESSAVG: 1528600 38.3622 -49.1483 -46.9887 -49.1483 22.7348 39.3338 -46.9887 39.3338 -26.5133 GPRESSAVG: 1528600 39.134 -47.1021 -46.7128 -50.1994 23.2183 41.1571 -47.431 39.5934 -27.3392 TIMING: 1528600 CPU: 4431.96, 0.00288304/step Wall: 4431.96, 0.00288304/step, 2.78005 hours remaining, 209.566406 MB of memory in use. ENERGY: 1528600 759.5339 2108.9959 1936.1516 118.1561 -206243.5574 17710.2860 0.0000 0.0000 34445.6421 -149164.7917 300.8224 -183610.4338 -149069.2780 299.3860 -102.4080 -69.0693 557396.7828 11.5279 11.6710 PRESSURE: 1528800 -95.5752 -53.5697 3.55132 -53.5697 32.4411 53.3462 3.55203 53.3465 -154.364 GPRESSURE: 1528800 -73.4837 -70.8006 -16.0807 -49.3798 99.4955 74.1005 29.6756 -18.3831 -142.767 PRESSAVG: 1528800 46.3375 8.40145 44.7222 8.40145 -40.6643 48.7023 44.7222 48.7023 8.28682 GPRESSAVG: 1528800 44.2774 7.46212 45.3416 8.41376 -40.7173 45.9806 45.1461 48.8282 9.947 TIMING: 1528800 CPU: 4432.54, 0.00289575/step Wall: 4432.54, 0.00289575/step, 2.79214 hours remaining, 209.824219 MB of memory in use. ENERGY: 1528800 770.5112 2033.8651 1945.0826 118.7571 -206341.9087 17742.7304 0.0000 0.0000 34309.4321 -149421.5302 299.6328 -183730.9624 -149329.4351 299.5296 -72.4994 -38.9184 556271.1252 4.6534 4.5024 PRESSURE: 1529000 -156.409 -194.923 3.06184 -194.922 12.7218 63.4448 3.06183 63.4431 31.8665 GPRESSURE: 1529000 -148.937 -113.612 -33.7033 -163.016 85.4872 45.3478 23.8471 39.4885 55.5009 PRESSAVG: 1529000 -18.8351 -60.4183 49.4743 -60.4183 1.0313 36.8102 49.4742 36.8102 19.6293 GPRESSAVG: 1529000 -18.9095 -60.6339 47.8046 -59.8859 1.17141 37.2321 49.7135 36.0381 19.1605 TIMING: 1529000 CPU: 4433.13, 0.00291207/step Wall: 4433.13, 0.00291207/step, 2.80772 hours remaining, 209.824219 MB of memory in use. ENERGY: 1529000 744.8756 2025.6998 1961.9061 126.7227 -206298.6395 17837.0865 0.0000 0.0000 34219.7444 -149382.6044 298.8495 -183602.3489 -149291.9650 299.0143 -37.2735 -2.6497 557611.6825 0.6085 0.4741 PRESSURE: 1529200 89.3536 16.3169 -38.9769 16.3179 -236.768 -176.281 -38.9763 -176.282 -227.264 GPRESSURE: 1529200 108.112 -61.0591 10.2835 25.3781 -205.011 -89.6987 -155.223 -139.172 -162.28 PRESSAVG: 1529200 -16.8086 31.6051 12.9362 31.6052 -61.6716 -22.0114 12.9363 -22.0114 26.7681 GPRESSAVG: 1529200 -15.908 32.2814 14.0801 31.8314 -62.7959 -20.7954 14.9662 -23.131 27.0124 TIMING: 1529200 CPU: 4433.7, 0.00287248/step Wall: 4433.7, 0.00287248/step, 2.76939 hours remaining, 209.824219 MB of memory in use. ENERGY: 1529200 749.0376 2073.8690 1948.6484 117.9625 -205787.4926 17495.7957 0.0000 0.0000 34144.5627 -149257.6167 298.1930 -183402.1794 -149164.7283 298.6874 -124.8928 -86.3928 556939.2065 -17.2374 -17.2305 PRESSURE: 1529400 176.453 -21.8913 203.066 -21.8912 43.0095 4.35682 203.066 4.35733 384.842 GPRESSURE: 1529400 209.972 -76.7149 220.838 55.8138 151.277 77.6455 131.206 29.6468 342.448 PRESSAVG: 1529400 58.8761 -23.8683 14.8102 -23.8683 -56.6405 -50.6136 14.8102 -50.6136 30.7521 GPRESSAVG: 1529400 59.2121 -26.0667 14.8664 -22.4245 -56.8645 -51.239 10.5997 -50.6609 30.4893 TIMING: 1529400 CPU: 4434.28, 0.00287414/step Wall: 4434.28, 0.00287414/step, 2.77083 hours remaining, 209.824219 MB of memory in use. ENERGY: 1529400 771.2949 2104.8299 1990.7535 114.6829 -206884.9440 18125.7532 0.0000 0.0000 34403.3174 -149374.3122 300.4527 -183777.6296 -149280.3830 299.3167 201.4349 234.5656 554688.2651 10.9959 10.9457 PRESSURE: 1529600 -199.319 -33.537 93.83 -33.5374 347.213 115.61 93.8294 115.608 -88.7172 GPRESSURE: 1529600 -158.657 -19.7907 142.295 -43.4261 338.707 57.3828 86.4172 49.0612 -17.8347 PRESSAVG: 1529600 -44.3763 36.8051 52.243 36.8052 14.0225 31.7001 52.243 31.7001 18.2451 GPRESSAVG: 1529600 -45.4113 37.2771 50.48 35.4972 13.5517 31.0865 55.5427 31.946 19.5999 TIMING: 1529600 CPU: 4434.85, 0.00289034/step Wall: 4434.85, 0.00289034/step, 2.78628 hours remaining, 209.824219 MB of memory in use. ENERGY: 1529600 792.4816 2140.3371 1949.6125 110.3545 -206482.1409 17889.0368 0.0000 0.0000 34246.7792 -149353.5392 299.0856 -183600.3184 -149254.0441 299.3974 19.7256 54.0717 557042.0524 -4.0362 -4.0866 PRESSURE: 1529800 -9.19937 -28.5825 -107.551 -28.5824 -91.2554 105.63 -107.55 105.63 -124.248 GPRESSURE: 1529800 4.87668 -35.5968 -125.664 21.2108 -49.3208 56.4739 -75.8795 181.937 -82.7869 PRESSAVG: 1529800 -26.0309 -54.5536 54.2616 -54.5536 24.1513 8.70884 54.2617 8.70883 -7.54225 GPRESSAVG: 1529800 -25.455 -55.4658 55.042 -54.4205 23.6412 8.9988 53.1967 10.992 -7.89376 TIMING: 1529800 CPU: 4435.43, 0.00287742/step Wall: 4435.43, 0.00287742/step, 2.77367 hours remaining, 209.824219 MB of memory in use. ENERGY: 1529800 756.7826 2134.8913 1949.2381 112.1866 -206282.0809 17714.7897 0.0000 0.0000 34313.9388 -149300.2538 299.6722 -183614.1926 -149206.6448 299.5206 -74.9008 -42.4103 557672.3784 -3.1406 -3.2358 PRESSURE: 1530000 -133.396 -43.9822 -218.194 -43.9825 77.9072 227.288 -218.195 227.288 -194.03 GPRESSURE: 1530000 -71.0286 -119.7 -188.303 -74.3485 107.975 244.53 -249.354 88.3304 -206.637 PRESSAVG: 1530000 17.0888 -62.2069 24.9718 -62.2069 -2.85523 61.5783 24.9717 61.5782 -28.0714 GPRESSAVG: 1530000 18.3992 -62.3298 25.6045 -63.6014 -3.20054 60.532 23.9185 61.113 -28.8599 TIMING: 1530000 CPU: 4436.01, 0.00289552/step Wall: 4436.01, 0.00289552/step, 2.79096 hours remaining, 209.824219 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: 1530000 764.7449 2123.5784 1947.6769 116.2379 -206252.6050 17643.0882 0.0000 0.0000 34354.8341 -149302.4447 300.0293 -183657.2788 -149207.1946 299.3166 -83.1729 -56.5636 557364.6711 -4.6126 -4.5537 PRESSURE: 1530200 -166.593 131.445 45.2858 131.445 48.605 -26.6188 45.2852 -26.6174 12.4708 GPRESSURE: 1530200 -109.984 89.085 63.56 148.07 59.6426 50.3283 39.5813 -94.4055 47.9035 PRESSAVG: 1530200 17.0886 -41.107 44.9867 -41.107 42.5868 -17.6455 44.9867 -17.6454 -32.6072 GPRESSAVG: 1530200 16.1065 -39.147 43.1142 -39.4809 43.4998 -15.3571 46.3317 -18.797 -32.725 TIMING: 1530200 CPU: 4436.59, 0.0029124/step Wall: 4436.59, 0.0029124/step, 2.80706 hours remaining, 209.824219 MB of memory in use. ENERGY: 1530200 763.7438 2158.6204 1959.8328 116.4066 -206176.7599 17675.8068 0.0000 0.0000 34141.6219 -149360.7277 298.1673 -183502.3496 -149260.0058 299.3890 -35.1725 -0.8127 557379.7440 9.0227 8.9605 PRESSURE: 1530400 -210.919 145.366 44.0104 145.366 -375.731 -108.241 44.0097 -108.239 -173.997 GPRESSURE: 1530400 -213.999 140.231 8.15881 121.561 -337.015 -140.91 -17.8767 -120.224 -127.964 PRESSAVG: 1530400 -36.4843 27.8143 35.133 27.8142 -11.0532 -90.0947 35.133 -90.0948 -7.54858 GPRESSAVG: 1530400 -37.1353 27.7303 37.1859 28.091 -10.5542 -91.659 34.8902 -89.6853 -8.20943 TIMING: 1530400 CPU: 4437.17, 0.00289154/step Wall: 4437.17, 0.00289154/step, 2.7868 hours remaining, 209.824219 MB of memory in use. ENERGY: 1530400 793.0447 2026.3262 1974.9571 103.7339 -206186.9264 17498.6282 0.0000 0.0000 34373.3295 -149416.9069 300.1908 -183790.2364 -149313.9744 299.1653 -253.5492 -226.3260 557809.0058 -18.3620 -18.6330 PRESSURE: 1530600 -155.344 -32.6537 -197.514 -32.6539 -56.0249 17.26 -197.513 17.2582 -150.367 GPRESSURE: 1530600 -125.062 -44.8767 -157.485 6.58873 -28.9208 -84.4571 -260.622 64.4553 -102.389 PRESSAVG: 1530600 -18.1158 10.5231 28.3936 10.5232 29.4813 -47.6996 28.3936 -47.6996 9.24735 GPRESSAVG: 1530600 -18.1464 10.8279 29.2521 10.7322 29.4978 -48.6995 27.346 -45.2623 9.49254 TIMING: 1530600 CPU: 4437.75, 0.00290008/step Wall: 4437.75, 0.00290008/step, 2.79487 hours remaining, 209.824219 MB of memory in use. ENERGY: 1530600 742.1311 2107.8304 1970.3599 119.6962 -206340.3556 17677.6739 0.0000 0.0000 34189.1454 -149533.5187 298.5823 -183722.6641 -149436.8840 298.8280 -120.5786 -85.4572 556236.2452 6.8709 6.9480 PRESSURE: 1530800 -125.907 -31.9007 -31.4016 -31.902 -78.1194 -44.669 -31.4017 -44.6688 173.621 GPRESSURE: 1530800 -122.649 -3.99125 19.9339 -123.632 10.8477 -105.734 -24.2578 42.0855 183.555 PRESSAVG: 1530800 -61.3868 17.8231 30.336 17.8232 55.0662 -18.2015 30.336 -18.2016 29.1399 GPRESSAVG: 1530800 -61.6684 18.3894 28.5039 17.1777 55.7465 -17.803 31.2474 -20.3149 29.1597 TIMING: 1530800 CPU: 4438.33, 0.00292109/step Wall: 4438.33, 0.00292109/step, 2.81496 hours remaining, 209.824219 MB of memory in use. ENERGY: 1530800 725.1166 2155.6677 1941.6817 116.9823 -206351.4955 17843.4182 0.0000 0.0000 33917.8076 -149650.8215 296.2126 -183568.6291 -149553.7062 298.1911 -10.1350 23.9180 557714.9537 7.6064 7.7460 PRESSURE: 1531000 -92.624 -120.096 -55.7874 -120.095 -30.0606 -15.111 -55.7873 -15.1117 -15.9834 GPRESSURE: 1531000 5.12248 -122.495 -98.3015 -280.286 -39.868 -33.3883 -4.13857 28.0025 -0.774796 PRESSAVG: 1531000 -55.3247 24.9244 -16.4182 24.9245 25.3894 -7.2361 -16.4182 -7.23604 31.8146 GPRESSAVG: 1531000 -54.8009 24.9079 -14.718 23.9723 24.3335 -7.20959 -17.0008 -5.65455 32.5934 TIMING: 1531000 CPU: 4438.92, 0.00291325/step Wall: 4438.92, 0.00291325/step, 2.80724 hours remaining, 209.824219 MB of memory in use. ENERGY: 1531000 713.8868 2127.3153 1961.8155 121.5486 -206377.8858 17859.7929 0.0000 0.0000 34073.4240 -149520.1028 297.5717 -183593.5268 -149425.4530 298.1040 -46.2227 -11.8401 557311.0185 0.6264 0.7087 PRESSURE: 1531200 -202.24 26.2407 32.711 26.2402 -106.276 39.522 32.7119 39.5245 405.16 GPRESSURE: 1531200 -141.775 86.5195 130.125 -2.03096 -76.4837 -19.0145 44.6377 116.066 421.752 PRESSAVG: 1531200 -24.8852 22.0751 -11.1563 22.0752 -42.3896 -26.5117 -11.1563 -26.5117 59.3947 GPRESSAVG: 1531200 -26.1463 19.9911 -12.7261 24.7458 -41.4181 -24.7467 -9.39992 -30.0996 60.0161 TIMING: 1531200 CPU: 4439.5, 0.0028955/step Wall: 4439.5, 0.0028955/step, 2.78998 hours remaining, 209.824219 MB of memory in use. ENERGY: 1531200 745.2812 2040.0651 1938.8668 115.7214 -206384.6754 17820.2862 0.0000 0.0000 34154.8070 -149569.6478 298.2824 -183724.4548 -149470.6695 298.9993 32.2145 67.8311 558326.0592 -2.6267 -2.5161 PRESSURE: 1531400 327.608 -149.271 21.2318 -149.272 297.249 -214.89 21.2326 -214.891 359.815 GPRESSURE: 1531400 346.567 -109.431 -42.5675 -153.093 315.961 -174.768 58.4483 -186.606 412.035 PRESSAVG: 1531400 -18.5226 -23.912 5.85577 -23.9119 26.5133 -70.4586 5.85579 -70.4585 0.131809 GPRESSAVG: 1531400 -18.7622 -21.139 8.18297 -25.0773 25.3923 -72.0236 4.21318 -67.6143 1.07757 TIMING: 1531400 CPU: 4440.07, 0.00288541/step Wall: 4440.07, 0.00288541/step, 2.7801 hours remaining, 209.824219 MB of memory in use. ENERGY: 1531400 728.6490 2152.0155 1966.7911 125.0046 -207284.8609 18354.9519 0.0000 0.0000 34287.5200 -149669.9287 299.4414 -183957.4487 -149581.2378 297.8567 328.2241 358.1875 554035.4417 2.7075 2.5692 PRESSURE: 1531600 -148.611 83.9847 -106.123 83.9828 -124.256 -19.4411 -106.122 -19.4417 25.692 GPRESSURE: 1531600 -106.244 171.887 -58.5619 64.5107 -109.21 -36.4246 -124.259 -33.5141 59.8443 PRESSAVG: 1531600 -21.5137 -18.7744 10.1901 -18.7744 -19.4852 -59.6465 10.1902 -59.6464 53.7424 GPRESSAVG: 1531600 -20.2382 -19.6259 9.64055 -17.7511 -19.3031 -60.1797 10.5866 -59.8572 52.7096 TIMING: 1531600 CPU: 4440.65, 0.00288058/step Wall: 4440.65, 0.00288058/step, 2.77528 hours remaining, 209.824219 MB of memory in use. ENERGY: 1531600 741.4305 2094.3590 1961.1435 121.7437 -206492.7129 17790.6911 0.0000 0.0000 34158.1047 -149625.2406 298.3112 -183783.3452 -149529.3580 298.9005 -82.3914 -51.8697 556279.3994 4.2478 4.3894 PRESSURE: 1531800 78.232 52.7453 34.5942 52.7443 -188.677 48.1602 34.5937 48.1597 6.85588 GPRESSURE: 1531800 108.996 15.2167 26.7918 23.7144 -136.161 32.4122 5.59831 34.312 19.0824 PRESSAVG: 1531800 28.731 -0.700869 -2.24515 -0.700934 -74.0896 -41.367 -2.24527 -41.367 56.8343 GPRESSAVG: 1531800 28.4892 0.446551 -2.28762 -1.4899 -72.9088 -41.4599 -2.70129 -42.3081 55.9958 TIMING: 1531800 CPU: 4441.23, 0.00289381/step Wall: 4441.23, 0.00289381/step, 2.78786 hours remaining, 209.824219 MB of memory in use. ENERGY: 1531800 751.7634 2116.1165 1944.7267 123.5272 -206456.0760 17726.2820 0.0000 0.0000 34338.2471 -149455.4131 299.8845 -183793.6602 -149357.2068 298.8024 -34.5297 -2.6941 555348.1814 3.8252 3.8587 PRESSURE: 1532000 318.961 103.236 38.2093 103.235 -120.196 -88.3393 38.2108 -88.3393 24.1918 GPRESSURE: 1532000 353.844 113.59 -45.3129 126.909 -69.0305 -69.4665 127.763 -41.8145 34.3754 PRESSAVG: 1532000 15.7364 53.2974 10.8076 53.2973 -87.5164 1.1526 10.8076 1.15251 58.4974 GPRESSAVG: 1532000 16.5858 54.7551 11.3807 51.9613 -89.948 1.56714 9.97865 1.07578 59.9758 TIMING: 1532000 CPU: 4441.81, 0.00289863/step Wall: 4441.81, 0.00289863/step, 2.79235 hours remaining, 209.824219 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: 1532000 741.2042 2141.0158 1947.6732 119.6365 -206643.1407 17863.5357 0.0000 0.0000 34368.7948 -149461.2806 300.1512 -183830.0754 -149360.0945 299.4425 74.3187 106.3964 556254.5274 -4.4275 -4.4621 PRESSURE: 1532200 103.097 -138.396 72.3793 -138.395 49.7792 100.455 72.3803 100.455 55.8193 GPRESSURE: 1532200 117.486 -150.903 51.9327 -120.854 69.7028 157.012 93.0899 33.9892 118.373 PRESSAVG: 1532200 -22.0807 -45.283 22.5392 -45.283 -7.01534 -18.8641 22.5391 -18.8641 18.3116 GPRESSAVG: 1532200 -22.9726 -48.4354 20.084 -43.1822 -6.32541 -16.224 25.4633 -20.6592 19.2274 TIMING: 1532200 CPU: 4442.39, 0.00289975/step Wall: 4442.39, 0.00289975/step, 2.79327 hours remaining, 209.824219 MB of memory in use. ENERGY: 1532200 735.5651 2043.7099 1932.4420 121.4909 -206793.7679 17971.6253 0.0000 0.0000 34517.7612 -149471.1735 301.4522 -183988.9347 -149371.5366 298.5503 69.5651 101.8537 557545.0456 -3.5948 -3.3568 LDB: ============= START OF LOAD BALANCING ============== 4445.78 LDB: ============== END OF LOAD BALANCING =============== 4445.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4445.78 LDB: ============= START OF LOAD BALANCING ============== 4446.07 LDB: Largest compute 4792 load 0.025344 is 21.5% of average load 0.117970 LDB: Average compute 0.001711 is 1.5% of average load 0.117970 LDB: TIME 4446.07 LOAD: AVG 0.11797 MAX 0.182722 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.844 MB LDB: TIME 4446.07 LOAD: AVG 0.11797 MAX 0.182722 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 4446.07 LOAD: AVG 0.11797 MAX 0.182722 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4446.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4446.08 PRESSURE: 1532400 198.11 -111.555 103.582 -111.554 193.044 -42.9302 103.583 -42.9305 -20.3054 GPRESSURE: 1532400 265.731 -149.928 110.937 -45.2733 158.758 -61.5353 58.4107 -40.7047 37.9313 PRESSAVG: 1532400 19.3626 5.3535 48.9659 5.35347 51.8917 16.0401 48.9659 16.04 1.40662 GPRESSAVG: 1532400 19.4969 6.5932 49.8114 2.82084 52.991 13.2456 46.2129 16.0673 0.324762 TIMING: 1532400 CPU: 4442.98, 0.00298678/step Wall: 4442.98, 0.00298678/step, 2.87694 hours remaining, 208.101562 MB of memory in use. ENERGY: 1532400 771.5727 2087.6765 1965.3587 120.2496 -206554.0251 17892.4386 0.0000 0.0000 34209.0714 -149507.6576 298.7563 -183716.7290 -149416.4029 299.2286 123.6163 154.1401 556595.9236 24.2203 24.2709 PRESSURE: 1532600 -107.449 -69.4158 -153.781 -69.4166 -132.732 -83.8284 -153.781 -83.8301 26.935 GPRESSURE: 1532600 -56.8334 -36.1197 -147.881 -43.6855 -132.655 -24.7227 -136.012 -64.7736 57.9995 PRESSAVG: 1532600 19.3131 -42.7932 -56.4107 -42.7932 45.1338 19.115 -56.4107 19.115 -51.9603 GPRESSAVG: 1532600 19.2727 -42.234 -57.8221 -41.0009 44.7372 21.5836 -56.5583 19.2306 -51.6051 TIMING: 1532600 CPU: 4443.57, 0.00291752/step Wall: 4443.57, 0.00291752/step, 2.81006 hours remaining, 208.300781 MB of memory in use. ENERGY: 1532600 713.8167 2140.0607 1950.7118 117.7479 -206165.7373 17671.9198 0.0000 0.0000 34274.0924 -149297.3880 299.3242 -183571.4804 -149200.9603 298.5211 -71.0818 -43.8298 558317.8281 4.1622 4.1349 PRESSURE: 1532800 -42.351 -3.11463 14.4646 -3.11415 -191.857 149.32 14.4651 149.32 61.3707 GPRESSURE: 1532800 -57.1219 54.7799 58.4325 41.402 -135.368 160.434 7.66032 131.218 98.2222 PRESSAVG: 1532800 -49.6628 -24.1681 75.7781 -24.1682 6.21148 24.5888 75.7782 24.5887 -14.3589 GPRESSAVG: 1532800 -50.4046 -25.0957 77.5435 -22.8974 7.02789 23.9805 76.9088 24.9381 -14.184 TIMING: 1532800 CPU: 4444.15, 0.00292387/step Wall: 4444.15, 0.00292387/step, 2.81601 hours remaining, 208.300781 MB of memory in use. ENERGY: 1532800 751.9255 2097.2977 1980.9585 105.7110 -206626.6307 17937.3472 0.0000 0.0000 34150.3311 -149603.0597 298.2433 -183753.3907 -149505.1654 298.3305 -57.6125 -31.4225 559047.0295 -19.2701 -19.1869 PRESSURE: 1533000 -179.275 48.697 -81.2233 48.6965 -38.2457 7.85356 -81.2234 7.85314 242.157 GPRESSURE: 1533000 -140.934 26.3507 -102.053 11.9959 -12.8095 1.93653 10.5481 34.6756 283.732 PRESSAVG: 1533000 6.76827 -32.39 -3.46527 -32.39 -10.285 50.8044 -3.46531 50.8042 -17.2216 GPRESSAVG: 1533000 8.9312 -29.5203 -3.63533 -35.4472 -10.6566 50.867 -3.49007 48.9841 -18.3464 TIMING: 1533000 CPU: 4444.74, 0.00292855/step Wall: 4444.74, 0.00292855/step, 2.82036 hours remaining, 208.300781 MB of memory in use. ENERGY: 1533000 741.1426 2090.2508 1955.7842 121.0091 -206535.4847 17869.0405 0.0000 0.0000 34136.5816 -149621.6759 298.1233 -183758.2575 -149526.0794 298.4910 8.2119 43.3296 558562.3604 -6.9128 -6.6906 PRESSURE: 1533200 70.4651 10.1723 -3.18879 10.1725 69.2193 -102.099 -3.1894 -102.101 -83.8179 GPRESSURE: 1533200 129.183 36.883 -54.4876 51.4435 84.8624 -38.2886 -5.46035 -117.963 -54.2096 PRESSAVG: 1533200 45.7283 -17.7114 -31.2301 -17.7113 -42.2925 2.39727 -31.2301 2.39736 28.1627 GPRESSAVG: 1533200 45.6085 -19.3572 -32.5093 -14.8585 -43.0712 1.36368 -32.4216 4.38703 28.8667 TIMING: 1533200 CPU: 4445.32, 0.0029052/step Wall: 4445.32, 0.0029052/step, 2.79771 hours remaining, 208.300781 MB of memory in use. ENERGY: 1533200 754.4311 2074.9623 1938.0262 110.6687 -206419.6188 17909.3084 0.0000 0.0000 34149.0568 -149483.1653 298.2322 -183632.2221 -149389.0728 298.7123 18.6222 53.2786 556277.8827 10.5328 10.4680 PRESSURE: 1533400 -143.21 97.1222 -80.8258 97.1216 -79.812 -215.653 -80.826 -215.653 -92.6309 GPRESSURE: 1533400 -77.2741 132.969 -82.9424 109.042 -91.1127 -270.734 -36.7632 -194.719 -52.6312 PRESSAVG: 1533400 55.9802 -2.6507 -4.91546 -2.65075 -57.3279 37.6433 -4.91553 37.6433 10.1521 GPRESSAVG: 1533400 57.0455 -1.37761 -4.34359 -4.54615 -58.0988 37.0342 -4.4765 38.4796 9.94496 TIMING: 1533400 CPU: 4445.9, 0.00288151/step Wall: 4445.9, 0.00288151/step, 2.77474 hours remaining, 208.300781 MB of memory in use. ENERGY: 1533400 725.5646 2074.3732 1953.9991 108.2541 -206257.2905 17745.9668 0.0000 0.0000 34294.7592 -149354.3736 299.5047 -183649.1328 -149258.7462 298.6643 -105.2177 -73.6727 557092.1492 2.9348 2.9639 PRESSURE: 1533600 -123.981 -35.0653 26.2378 -35.0655 -57.1768 113.518 26.2371 113.516 38.6034 GPRESSURE: 1533600 -135.011 -44.4683 -66.011 -59.6636 14.5379 52.207 36.4228 147.128 82.0159 PRESSAVG: 1533600 -7.07981 37.4984 -15.4827 37.4983 35.9113 -15.8137 -15.4828 -15.8136 3.81464 GPRESSAVG: 1533600 -8.10894 33.8388 -15.6557 37.4429 37.0736 -13.7727 -15.8075 -17.1161 3.99815 TIMING: 1533600 CPU: 4446.47, 0.00289353/step Wall: 4446.47, 0.00289353/step, 2.78615 hours remaining, 208.300781 MB of memory in use. ENERGY: 1533600 744.9429 2024.9357 1934.0352 125.2681 -206224.8987 17873.1649 0.0000 0.0000 34329.5644 -149192.9875 299.8086 -183522.5519 -149090.3304 299.3378 -47.5180 -12.8190 557946.4569 10.8820 10.9876 PRESSURE: 1533800 -248.584 -34.5806 -17.2489 -34.5789 -45.2182 16.1085 -17.2472 16.1089 -315.888 GPRESSURE: 1533800 -222.952 -6.20678 26.3324 -49.7767 -75.2218 -45.7075 -104.326 99.253 -193.601 PRESSAVG: 1533800 -40.469 36.4577 6.10526 36.4577 27.3283 -18.535 6.10532 -18.535 -41.7095 GPRESSAVG: 1533800 -40.5996 38.432 6.68084 39.8602 27.5126 -19.6719 5.50776 -16.9282 -41.9069 TIMING: 1533800 CPU: 4447.06, 0.00291845/step Wall: 4447.06, 0.00291845/step, 2.80998 hours remaining, 208.300781 MB of memory in use. ENERGY: 1533800 734.0848 2058.0220 1906.3393 122.4062 -205399.6286 17318.7157 0.0000 0.0000 34130.3203 -149129.7404 298.0686 -183260.0607 -149030.4326 299.1386 -203.2300 -163.9248 557700.7858 -18.2834 -18.3313 PRESSURE: 1534000 45.7917 -59.5744 16.9492 -59.573 80.9409 -31.6816 16.9487 -31.6828 408.299 GPRESSURE: 1534000 23.2118 -60.9655 -14.0562 -50.6027 195.395 -123.09 110.284 33.4131 415.944 PRESSAVG: 1534000 -80.8461 23.2854 8.44638 23.2855 22.4686 -55.6078 8.44646 -55.6077 35.2343 GPRESSAVG: 1534000 -81.5062 20.7893 7.6989 21.4256 21.5643 -54.9259 10.5272 -57.5586 36.0214 TIMING: 1534000 CPU: 4447.64, 0.00291216/step Wall: 4447.64, 0.00291216/step, 2.80376 hours remaining, 208.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1534000 726.0052 2102.4803 1928.6772 115.3306 -206029.0802 17935.3146 0.0000 0.0000 34291.0886 -148930.1838 299.4726 -183221.2723 -148834.6803 300.0545 178.3439 211.5171 557822.3887 -7.7144 -7.9735 PRESSURE: 1534200 -10.3512 4.62681 -58.2858 4.62655 -44.0854 -112.818 -58.2865 -112.819 440.545 GPRESSURE: 1534200 19.0376 56.681 -61.5693 -38.274 -34.8593 -37.1154 -46.4161 -83.707 493.099 PRESSAVG: 1534200 -42.4778 -26.3004 -11.8849 -26.3003 -8.98971 -19.5802 -11.8848 -19.5803 9.37036 GPRESSAVG: 1534200 -42.937 -25.0807 -10.9182 -25.5777 -8.24659 -19.9471 -13.2211 -19.0477 9.303 TIMING: 1534200 CPU: 4448.22, 0.00288721/step Wall: 4448.22, 0.00288721/step, 2.77958 hours remaining, 208.300781 MB of memory in use. ENERGY: 1534200 707.0497 2084.8013 1936.5748 107.6479 -206169.3577 17934.3096 0.0000 0.0000 34406.7231 -148992.2513 300.4825 -183398.9744 -148883.5166 299.6998 128.7027 159.0924 556748.5474 -14.0324 -13.9602 PRESSURE: 1534400 27.1723 122.372 188.539 122.373 -191.034 -252.121 188.539 -252.12 -147.177 GPRESSURE: 1534400 69.4037 76.1627 185.634 156.233 -139.314 -207.98 277.437 -228.044 -146.784 PRESSAVG: 1534400 -40.1484 -48.2418 17.4435 -48.2418 -64.6966 -28.6697 17.4435 -28.6698 41.4644 GPRESSAVG: 1534400 -38.2455 -48.7585 15.4567 -49.045 -65.1057 -29.5927 18.8609 -28.3708 40.189 TIMING: 1534400 CPU: 4448.8, 0.00291498/step Wall: 4448.8, 0.00291498/step, 2.80615 hours remaining, 208.300781 MB of memory in use. ENERGY: 1534400 765.1537 2045.4636 1956.5267 103.3924 -205972.9352 17817.8016 0.0000 0.0000 34329.7328 -148954.8645 299.8101 -183284.5973 -148860.7412 300.1589 -103.6795 -72.2315 560225.7918 -21.1268 -21.0541 PRESSURE: 1534600 -110.595 86.8168 -5.4181 86.8159 224.761 49.4399 -5.41811 49.4399 -31.2822 GPRESSURE: 1534600 -65.3915 104.879 -18.4458 26.6123 214.534 117.647 -23.2435 37.349 26.4539 PRESSAVG: 1534600 -64.6356 45.6312 15.1243 45.6311 51.3772 1.80833 15.1242 1.8083 45.1684 GPRESSAVG: 1534600 -65.5235 47.4039 17.5257 42.1322 51.4936 1.65286 14.8586 1.74596 46.2458 TIMING: 1534600 CPU: 4449.38, 0.00291278/step Wall: 4449.38, 0.00291278/step, 2.80388 hours remaining, 208.300781 MB of memory in use. ENERGY: 1534600 729.6279 2118.2738 1945.6621 111.4593 -205925.5534 17763.6275 0.0000 0.0000 34364.0987 -148892.8041 300.1102 -183256.9027 -148792.3421 299.9486 27.6280 58.5320 558990.4968 10.6367 10.7387 PRESSURE: 1534800 -53.1605 133.034 26.2663 133.034 -394.559 -152.973 26.2672 -152.972 -86.1173 GPRESSURE: 1534800 -59.7039 179.318 -3.6926 197.731 -372.258 -71.5841 67.4974 -154.519 2.47682 PRESSAVG: 1534800 13.125 -26.9885 -8.93885 -26.9885 -32.2324 -24.4924 -8.93884 -24.4923 7.05963 GPRESSAVG: 1534800 12.9456 -27.9302 -8.66045 -23.7603 -32.0501 -25.4322 -9.35024 -22.6754 7.10787 TIMING: 1534800 CPU: 4449.96, 0.00290802/step Wall: 4449.96, 0.00290802/step, 2.79913 hours remaining, 208.300781 MB of memory in use. ENERGY: 1534800 744.9320 2057.8834 1938.9057 116.5252 -205854.0345 17644.1732 0.0000 0.0000 34439.1482 -148912.4668 300.7656 -183351.6150 -148819.5888 300.2346 -177.9457 -143.1618 558509.4544 -4.0159 -3.9989 PRESSURE: 1535000 144.205 154.198 -127.099 154.196 116.717 -3.73061 -127.099 -3.72892 108.586 GPRESSURE: 1535000 152.134 100.039 -63.0412 239.014 167.651 -64.3287 -59.6657 131.425 146.326 PRESSAVG: 1535000 -17.2433 -48.3551 31.326 -48.3551 42.7365 -57.2383 31.3261 -57.2383 -13.7342 GPRESSAVG: 1535000 -17.2195 -48.1712 27.8422 -49.3943 42.73 -55.5046 32.6244 -59.1758 -13.4844 TIMING: 1535000 CPU: 4450.55, 0.00292839/step Wall: 4450.55, 0.00292839/step, 2.81858 hours remaining, 208.300781 MB of memory in use. ENERGY: 1535000 734.3070 2065.7987 1965.1358 109.9651 -206211.6989 17923.8820 0.0000 0.0000 34375.1227 -149037.4875 300.2065 -183412.6102 -148938.1962 300.3967 123.1694 155.3704 557887.3701 3.9197 4.0087 PRESSURE: 1535200 198.734 23.7467 40.3503 23.7465 255.878 33.3666 40.3506 33.3658 161.024 GPRESSURE: 1535200 244.76 35.1431 14.2725 76.4106 304.327 11.2096 91.6083 20.9311 177.481 PRESSAVG: 1535200 -14.9735 -18.6686 -7.85646 -18.6685 -49.1433 20.8408 -7.85636 20.8407 40.9898 GPRESSAVG: 1535200 -14.5206 -18.9267 -6.29159 -17.7629 -48.3442 18.8043 -7.58742 21.5226 40.5045 TIMING: 1535200 CPU: 4451.13, 0.00290907/step Wall: 4451.13, 0.00290907/step, 2.79982 hours remaining, 208.300781 MB of memory in use. ENERGY: 1535200 756.2738 2062.9322 1932.3549 106.6242 -206617.4008 18306.1064 0.0000 0.0000 34484.9176 -148968.1916 301.1654 -183453.1091 -148869.9470 300.3754 205.2118 242.1892 557650.8306 -7.7090 -7.4534 PRESSURE: 1535400 -213.3 225.996 64.8773 225.998 99.8672 87.3693 64.8765 87.3675 42.904 GPRESSURE: 1535400 -199.151 201.017 73.4515 211.293 127.558 157.534 34.3297 84.2366 105.107 PRESSAVG: 1535400 8.991 0.429508 4.90673 0.429449 -46.5771 23.6822 4.90668 23.6822 40.1059 GPRESSAVG: 1535400 10.4509 0.790052 2.81029 0.161461 -46.9105 25.5769 3.91042 21.6981 39.4841 TIMING: 1535400 CPU: 4451.71, 0.00290299/step Wall: 4451.71, 0.00290299/step, 2.79381 hours remaining, 208.300781 MB of memory in use. ENERGY: 1535400 711.8143 2040.9334 1977.7970 112.7470 -206085.8334 17755.2752 0.0000 0.0000 34252.6947 -149234.5719 299.1373 -183487.2666 -149136.7424 299.8157 -23.5097 11.1715 556790.8466 0.8399 1.0081 PRESSURE: 1535600 -110.917 96.5042 13.7557 96.5039 -71.2155 -43.9878 13.7558 -43.9866 -156.668 GPRESSURE: 1535600 -109.633 168.205 -30.7534 96.9592 -14.061 -52.8436 18.9083 -15.2701 -128.338 PRESSAVG: 1535600 3.71763 12.8913 -52.3315 12.8913 -1.63407 62.665 -52.3315 62.6649 2.0154 GPRESSAVG: 1535600 1.52384 13.3937 -46.7261 13.9728 -1.95491 60.0213 -53.022 64.0217 4.30762 TIMING: 1535600 CPU: 4452.3, 0.00291679/step Wall: 4452.3, 0.00291679/step, 2.80693 hours remaining, 208.300781 MB of memory in use. ENERGY: 1535600 755.4844 2025.6504 1954.1769 102.5787 -206032.1244 17626.8513 0.0000 0.0000 34417.1538 -149150.2289 300.5736 -183567.3828 -149058.2531 299.9922 -112.9337 -84.0109 557515.7416 1.3663 1.2922 PRESSURE: 1535800 75.0217 141.527 -62.7048 141.525 126.998 -166.589 -62.7047 -166.589 240.156 GPRESSURE: 1535800 142.726 217.462 -48.6486 105.484 147.639 -174.464 -60.3643 -190.633 237.027 PRESSAVG: 1535800 -42.3791 23.4921 -20.5384 23.492 -18.9395 4.18078 -20.5384 4.18073 18.9019 GPRESSAVG: 1535800 -41.5544 23.5269 -22.1797 23.3292 -18.6063 7.66576 -20.9167 3.33428 17.3844 TIMING: 1535800 CPU: 4452.88, 0.00292817/step Wall: 4452.88, 0.00292817/step, 2.81771 hours remaining, 208.300781 MB of memory in use. ENERGY: 1535800 728.7708 2085.9183 1954.2571 116.8193 -206536.9748 18062.3487 0.0000 0.0000 34340.8215 -149248.0392 299.9069 -183588.8607 -149151.2262 299.4527 147.3918 175.7975 556010.7498 -14.1389 -14.2588 PRESSURE: 1536000 -264.903 -157.685 -29.7886 -157.684 150.714 108.437 -29.7883 108.439 235.336 GPRESSURE: 1536000 -207.769 -169.544 17.3785 -96.8376 174.038 92.8304 -59.6628 49.6699 246.178 PRESSAVG: 1536000 -21.8878 2.64764 25.6373 2.64758 54.8975 -11.8536 25.6373 -11.8536 -23.3165 GPRESSAVG: 1536000 -21.4389 1.98763 23.1994 2.17633 53.1664 -12.8085 26.0338 -10.1022 -21.9512 TIMING: 1536000 CPU: 4453.46, 0.00290085/step Wall: 4453.46, 0.00290085/step, 2.79126 hours remaining, 208.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1536000 727.4493 2071.5879 1964.7907 108.7059 -206537.5894 17893.1125 0.0000 0.0000 34409.9500 -149361.9931 300.5107 -183771.9431 -149259.4143 299.7513 40.3825 70.8156 556058.2466 3.2311 3.2588 PRESSURE: 1536200 46.0042 -21.6817 -36.6735 -21.6812 22.1346 -69.7113 -36.6751 -69.7101 -72.7408 GPRESSURE: 1536200 95.3348 -46.1251 -46.1752 -1.05389 47.2972 -14.8458 -40.9808 -113.767 -43.7595 PRESSAVG: 1536200 -19.0391 -35.5932 -6.53116 -35.5932 9.48059 -14.4829 -6.53115 -14.4829 6.76623 GPRESSAVG: 1536200 -20.564 -36.7371 -4.14265 -34.9735 11.0648 -14.9921 -7.77863 -14.4218 6.26094 TIMING: 1536200 CPU: 4454.04, 0.00290518/step Wall: 4454.04, 0.00290518/step, 2.79527 hours remaining, 208.300781 MB of memory in use. ENERGY: 1536200 759.7483 2039.2481 1945.8229 107.8342 -206293.2777 17793.9061 0.0000 0.0000 34286.6119 -149360.1063 299.4335 -183646.7182 -149268.1916 299.0338 -1.5340 32.9575 556427.7485 -0.9308 -1.0794 LDB: ============= START OF LOAD BALANCING ============== 4457.43 LDB: ============== END OF LOAD BALANCING =============== 4457.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4457.43 LDB: ============= START OF LOAD BALANCING ============== 4457.72 LDB: Largest compute 4792 load 0.024102 is 20.4% of average load 0.117977 LDB: Average compute 0.001713 is 1.5% of average load 0.117977 LDB: TIME 4457.72 LOAD: AVG 0.117977 MAX 0.182993 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 4457.72 LOAD: AVG 0.117977 MAX 0.182993 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: TIME 4457.72 LOAD: AVG 0.117977 MAX 0.182993 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: ============== END OF LOAD BALANCING =============== 4457.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4457.73 PRESSURE: 1536400 90.7319 88.1963 114.706 88.1968 83.295 -19.5321 114.706 -19.5311 204.189 GPRESSURE: 1536400 124.189 9.35299 92.3224 133.505 131.829 -39.6827 63.6017 99.0735 227.146 PRESSAVG: 1536400 -17.1592 21.7667 20.2772 21.7666 -19.6521 -20.0639 20.2773 -20.0639 34.8841 GPRESSAVG: 1536400 -16.2673 22.1065 18.2812 21.4593 -20.7846 -22.4432 21.368 -19.961 35.0674 TIMING: 1536400 CPU: 4454.63, 0.00295186/step Wall: 4454.63, 0.00295186/step, 2.84002 hours remaining, 209.312500 MB of memory in use. ENERGY: 1536400 743.9342 2111.2335 1946.5184 120.8981 -206617.2256 18126.9881 0.0000 0.0000 34227.8214 -149339.8318 298.9201 -183567.6532 -149240.1664 298.3288 126.0720 161.0548 557886.0287 -0.6424 -0.6615 PRESSURE: 1536600 -82.8511 112.423 40.7637 112.422 -275.704 122.534 40.7634 122.534 -32.571 GPRESSURE: 1536600 -5.45738 149.037 55.2541 63.5924 -295.593 87.1295 41.2897 87.9914 5.09508 PRESSAVG: 1536600 20.1118 43.1491 9.76679 43.1491 -30.3755 28.0667 9.76692 28.0666 13.0147 GPRESSAVG: 1536600 18.8015 44.0606 10.2696 40.8684 -30.2286 30.455 11.5606 27.0694 13.4749 TIMING: 1536600 CPU: 4455.22, 0.00292393/step Wall: 4455.22, 0.00292393/step, 2.81298 hours remaining, 209.312500 MB of memory in use. ENERGY: 1536600 754.2531 2069.2419 1952.8967 117.6333 -205836.6223 17625.4926 0.0000 0.0000 33876.6183 -149440.4864 295.8529 -183317.1047 -149348.9526 298.6581 -130.3752 -98.6517 559797.4955 0.9170 0.6826 PRESSURE: 1536800 17.8702 -209.886 -129.341 -209.886 -57.4419 96.8724 -129.341 96.8726 -95.0433 GPRESSURE: 1536800 83.2142 -212.881 -110.509 -141.426 -28.5313 182.151 -151.572 75.3855 -89.0851 PRESSAVG: 1536800 24.5409 24.2084 -8.27298 24.2085 -7.7264 9.53474 -8.27293 9.53474 23.6523 GPRESSAVG: 1536800 25.2503 25.5025 -8.58513 25.7034 -6.18709 10.1811 -9.82293 9.26542 21.6829 TIMING: 1536800 CPU: 4455.8, 0.00290281/step Wall: 4455.8, 0.00290281/step, 2.7925 hours remaining, 209.312500 MB of memory in use. ENERGY: 1536800 775.5744 2092.8781 1934.9982 124.9730 -206345.7443 17823.4430 0.0000 0.0000 34218.0181 -149375.8597 298.8345 -183593.8777 -149281.6425 298.2815 -44.8717 -11.4674 557340.8679 13.4889 13.5820 PRESSURE: 1537000 -220.867 -180.403 42.219 -180.403 8.48445 7.2792 42.2205 7.27747 -55.4732 GPRESSURE: 1537000 -194.444 -81.5685 23.3055 -246.819 42.6557 -42.717 41.7375 26.8965 -20.2891 PRESSAVG: 1537000 27.5113 0.426887 -9.85315 0.426883 28.9964 -16.9668 -9.85319 -16.9667 -40.6735 GPRESSAVG: 1537000 27.1715 0.690154 -7.76658 0.177553 27.4301 -17.29 -9.09592 -16.8036 -38.6244 TIMING: 1537000 CPU: 4456.38, 0.00290972/step Wall: 4456.38, 0.00290972/step, 2.79899 hours remaining, 209.312500 MB of memory in use. ENERGY: 1537000 739.7447 2075.4795 1955.5104 100.2577 -206108.9652 17745.6949 0.0000 0.0000 34202.5456 -149289.7324 298.6993 -183492.2780 -149194.2231 299.0352 -89.2854 -57.3592 557714.0140 5.2781 5.3257 PRESSURE: 1537200 67.3584 -38.249 85.4683 -38.2479 -245.259 -95.5327 85.4683 -95.5333 95.5549 GPRESSURE: 1537200 107.271 -14.078 87.6559 -42.7194 -183.98 -24.9074 69.4594 -6.08313 89.4747 PRESSAVG: 1537200 -39.0439 -38.8583 -29.1446 -38.8583 -18.8356 6.13921 -29.1446 6.13924 16.7655 GPRESSAVG: 1537200 -38.8471 -41.8745 -30.9508 -37.5687 -18.057 6.52623 -30.5467 7.00817 15.8623 TIMING: 1537200 CPU: 4456.96, 0.00292082/step Wall: 4456.96, 0.00292082/step, 2.80951 hours remaining, 209.312500 MB of memory in use. ENERGY: 1537200 705.9587 2070.4397 1953.4183 106.5928 -205994.6018 17594.7418 0.0000 0.0000 34331.0914 -149232.3592 299.8220 -183563.4506 -149135.9025 299.6639 -27.4485 4.2553 556988.4456 -13.7046 -13.6806 PRESSURE: 1537400 -99.2211 -85.7775 -23.1141 -85.7777 21.0974 108.064 -23.1141 108.065 79.7316 GPRESSURE: 1537400 -52.8277 -10.8379 -37.7447 -56.6366 35.9222 80.7771 -69.099 107.482 113.589 PRESSAVG: 1537400 -35.5552 30.5089 3.1524 30.5088 -43.4164 -39.5129 3.15243 -39.5128 73.7554 GPRESSAVG: 1537400 -35.8253 33.8109 2.73399 28.9619 -43.6743 -38.8977 6.20951 -40.1863 73.9429 TIMING: 1537400 CPU: 4457.55, 0.00293121/step Wall: 4457.55, 0.00293121/step, 2.81934 hours remaining, 209.312500 MB of memory in use. ENERGY: 1537400 796.2555 2026.4917 1946.3284 114.1809 -206172.0449 17912.4164 0.0000 0.0000 34352.3025 -149024.0695 300.0072 -183376.3720 -148929.2386 300.1862 0.5360 32.2278 558206.6872 -1.7387 -1.8522 PRESSURE: 1537600 -302.621 -46.5379 139.928 -46.5356 -128.502 61.0771 139.929 61.0774 -185.224 GPRESSURE: 1537600 -274.311 25.1617 32.4932 -74.8 -129.222 95.2092 127.662 -56.139 -115.827 PRESSAVG: 1537600 -52.1132 -25.4189 16.1956 -25.4189 16.0602 23.5885 16.1956 23.5884 76.419 GPRESSAVG: 1537600 -53.1524 -27.94 17.7168 -24.2686 17.0143 20.9722 14.3407 23.3434 76.4633 TIMING: 1537600 CPU: 4458.13, 0.00291703/step Wall: 4458.13, 0.00291703/step, 2.80553 hours remaining, 209.503906 MB of memory in use. ENERGY: 1537600 764.8696 2045.1481 1961.9948 116.5466 -205493.0321 17447.5651 0.0000 0.0000 34164.3887 -148992.5193 298.3661 -183156.9080 -148894.1000 300.0766 -205.4491 -173.1200 559696.9569 13.4553 13.4418 PRESSURE: 1537800 -112.915 126.797 28.9172 126.797 -207.625 -130.21 28.9166 -130.208 46.7089 GPRESSURE: 1537800 -88.1715 94.9919 -18.5293 181.847 -139.442 -162.386 135.166 -98.5827 62.1078 PRESSAVG: 1537800 -17.7958 -15.9353 41.2632 -15.9354 1.9751 -88.5644 41.2631 -88.5644 6.18399 GPRESSAVG: 1537800 -18.4945 -16.7856 39.3006 -16.6656 1.38792 -88.3626 42.1158 -86.1259 7.73454 TIMING: 1537800 CPU: 4458.72, 0.00291765/step Wall: 4458.72, 0.00291765/step, 2.80597 hours remaining, 209.503906 MB of memory in use. ENERGY: 1537800 778.0261 2064.6493 1951.0628 123.5819 -206067.5854 17735.6358 0.0000 0.0000 34377.9974 -149036.6320 300.2316 -183414.6294 -148940.3590 299.2384 -91.2770 -55.1686 558017.2822 -3.2122 -3.1240 PRESSURE: 1538000 27.4732 133.504 47.8171 133.503 -192.177 -53.6039 47.8166 -53.602 -292.553 GPRESSURE: 1538000 48.2736 156.953 37.5554 100.881 -207.306 -103.067 79.6519 -9.29331 -199.681 PRESSAVG: 1538000 -22.4663 -50.7119 -9.22976 -50.7119 79.9703 -37.9437 -9.22971 -37.9436 -19.638 GPRESSAVG: 1538000 -21.6485 -50.1328 -8.56218 -48.3445 80.1488 -36.3093 -9.16645 -40.5658 -20.835 TIMING: 1538000 CPU: 4459.3, 0.00292523/step Wall: 4459.3, 0.00292523/step, 2.8131 hours remaining, 209.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1538000 763.2839 2056.0604 1939.2318 102.5370 -205951.2124 17676.3995 0.0000 0.0000 34357.0002 -149056.6997 300.0482 -183413.6998 -148958.7581 299.7890 -152.4189 -119.5714 558569.1894 12.6220 12.5551 PRESSURE: 1538200 -104.293 34.1764 56.3622 34.1766 -72.5813 67.211 56.3609 67.2108 58.8259 GPRESSURE: 1538200 -103.217 104.975 2.70576 54.0997 -37.0377 38.5419 16.9762 48.6789 117.408 PRESSAVG: 1538200 12.7312 30.2631 6.1652 30.2631 -33.2829 -50.8798 6.16525 -50.8798 14.5433 GPRESSAVG: 1538200 12.4772 31.2957 5.17179 26.3182 -34.7066 -51.4545 5.10399 -51.209 16.0694 TIMING: 1538200 CPU: 4459.89, 0.00292754/step Wall: 4459.89, 0.00292754/step, 2.81516 hours remaining, 209.503906 MB of memory in use. ENERGY: 1538200 714.3117 2071.5459 1951.9637 115.4867 -206016.3552 17831.2167 0.0000 0.0000 34235.3529 -149096.4776 298.9859 -183331.8305 -148995.5682 299.9192 -39.3495 -7.6154 559163.5589 -2.0028 -2.0533 PRESSURE: 1538400 -98.0043 -135.464 -56.4015 -135.463 -15.743 -153.199 -56.4002 -153.199 23.5182 GPRESSURE: 1538400 -81.3446 -58.0114 -58.9384 -196.334 -11.3421 -198.1 -95.5019 -123.873 86.6817 PRESSAVG: 1538400 -40.7224 4.79803 10.0636 4.79799 -31.8857 -12.2306 10.0637 -12.2307 19.0923 GPRESSAVG: 1538400 -40.4438 6.93025 10.8297 5.47675 -31.2135 -12.5805 9.70222 -10.943 17.9717 TIMING: 1538400 CPU: 4460.47, 0.00292475/step Wall: 4460.47, 0.00292475/step, 2.81231 hours remaining, 209.503906 MB of memory in use. ENERGY: 1538400 760.5469 2079.6197 1952.0291 111.7496 -206212.2879 17907.6406 0.0000 0.0000 34368.9160 -149031.7861 300.1523 -183400.7021 -148932.4502 300.0114 -30.0764 -2.0016 559090.8460 -17.8386 -17.8952 PRESSURE: 1538600 6.60484 48.9544 -20.5078 48.9542 -62.8508 -23.4999 -20.5066 -23.4998 -206.735 GPRESSURE: 1538600 87.7326 -25.8576 -49.7407 36.4842 -77.3127 -28.9224 70.2535 -30.49 -187.114 PRESSAVG: 1538600 28.1483 -43.3134 -52.9901 -43.3134 37.6281 -13.2991 -52.9902 -13.2991 -3.45904 GPRESSAVG: 1538600 28.6043 -45.1533 -51.4539 -41.8169 36.5272 -13.2315 -51.2155 -12.7967 -3.46136 TIMING: 1538600 CPU: 4461.05, 0.00290485/step Wall: 4461.05, 0.00290485/step, 2.79302 hours remaining, 209.503906 MB of memory in use. ENERGY: 1538600 727.5676 2109.0477 1939.5892 107.1431 -205811.0889 17686.2143 0.0000 0.0000 34429.1946 -148812.3325 300.6787 -183241.5270 -148715.5370 300.9108 -87.6605 -58.8979 559587.5788 20.7725 20.5567 PRESSURE: 1538800 -230.372 -211.073 -86.102 -211.072 126.665 188.552 -86.102 188.551 10.4859 GPRESSURE: 1538800 -173.099 -198.056 -126.332 -247.568 161.589 160.81 -159.662 160.069 23.9682 PRESSAVG: 1538800 -5.04973 -36.5402 -16.9574 -36.5401 -12.833 -11.0531 -16.9574 -11.0531 -34.2957 GPRESSAVG: 1538800 -6.02348 -36.464 -19.1203 -37.4375 -12.2063 -9.77107 -17.6212 -11.6593 -33.7006 TIMING: 1538800 CPU: 4461.64, 0.00290576/step Wall: 4461.64, 0.00290576/step, 2.79373 hours remaining, 209.503906 MB of memory in use. ENERGY: 1538800 743.6765 2092.3660 1946.3587 101.7103 -205779.4642 17770.6441 0.0000 0.0000 34231.3177 -148893.3909 298.9506 -183124.7086 -148803.8142 300.8519 -31.0739 4.1528 557902.2517 -17.3928 -17.3101 PRESSURE: 1539000 -41.7044 -103.065 -86.1916 -103.065 -149.988 -23.2801 -86.1924 -23.2797 62.1331 GPRESSURE: 1539000 -52.1857 -8.88646 -147.424 -128.061 -96.502 -22.7958 -131.433 21.1579 122.597 PRESSAVG: 1539000 61.7321 -17.1733 -38.6512 -17.1734 -14.2216 -37.5793 -38.6513 -37.5793 -6.59797 GPRESSAVG: 1539000 61.8677 -17.9689 -39.2292 -17.193 -14.2916 -38.4332 -38.7905 -35.9361 -6.75276 TIMING: 1539000 CPU: 4462.21, 0.00289113/step Wall: 4462.21, 0.00289113/step, 2.7795 hours remaining, 209.503906 MB of memory in use. ENERGY: 1539000 743.8082 2068.9311 1899.4368 110.6297 -205919.0247 17736.4536 0.0000 0.0000 34538.2211 -148821.5443 301.6309 -183359.7653 -148715.7041 300.2557 -43.1865 -8.6968 557782.1904 13.6375 13.6078 PRESSURE: 1539200 -106.93 19.9149 85.5887 19.9151 -36.1013 -170.898 85.5874 -170.897 192.022 GPRESSURE: 1539200 -59.499 75.1971 101.613 -43.8053 17.6262 -162.064 45.8763 -170.012 186.855 PRESSAVG: 1539200 45.3492 26.7544 9.06163 26.7544 12.6004 -21.5208 9.06165 -21.5208 -59.0905 GPRESSAVG: 1539200 47.5207 27.3187 8.71243 27.6576 11.3976 -20.8934 8.8649 -25.0041 -60.158 TIMING: 1539200 CPU: 4462.8, 0.0029193/step Wall: 4462.8, 0.0029193/step, 2.80642 hours remaining, 209.503906 MB of memory in use. ENERGY: 1539200 750.7181 2044.2443 1973.8534 116.8207 -205951.5829 17801.1327 0.0000 0.0000 34358.6533 -148906.1603 300.0627 -183264.8136 -148804.3806 300.5538 16.3304 48.3273 556931.7892 -0.3803 -0.4132 PRESSURE: 1539400 80.0375 -26.9605 -102.259 -26.9609 51.5599 56.5266 -102.26 56.5272 -48.4201 GPRESSURE: 1539400 101.103 -39.3819 -121.893 -113.54 79.721 6.1855 -151.446 112.649 -1.15397 PRESSAVG: 1539400 10.0992 -42.1428 -30.4725 -42.1428 -32.9555 -0.312978 -30.4725 -0.313017 7.30411 GPRESSAVG: 1539400 7.70698 -41.1637 -30.0826 -43.6846 -31.4035 -2.05404 -31.3955 2.32803 8.06296 TIMING: 1539400 CPU: 4463.38, 0.00291754/step Wall: 4463.38, 0.00291754/step, 2.80457 hours remaining, 209.503906 MB of memory in use. ENERGY: 1539400 698.2663 2066.1690 1981.7204 125.1577 -206186.5742 17778.3039 0.0000 0.0000 34451.4071 -149085.5497 300.8727 -183536.9568 -148987.1289 300.2512 27.7258 59.8899 556330.5987 -5.1840 -5.2112 PRESSURE: 1539600 -247.49 -59.9604 72.0634 -59.9597 85.3295 -63.4288 72.0634 -63.428 96.7228 GPRESSURE: 1539600 -244.023 -2.99009 -20.942 -124.217 118.731 -132.177 77.1418 -27.8777 165.651 PRESSAVG: 1539600 62.4823 -25.9128 35.9877 -25.9128 -49.545 -52.7931 35.9876 -52.7931 104.653 GPRESSAVG: 1539600 64.0676 -26.5726 38.1614 -25.6048 -50.355 -52.5169 36.9295 -52.4935 103.889 TIMING: 1539600 CPU: 4463.96, 0.00291464/step Wall: 4463.96, 0.00291464/step, 2.80161 hours remaining, 209.503906 MB of memory in use. ENERGY: 1539600 738.4840 2072.4048 1979.2534 117.1486 -206380.6414 17861.1921 0.0000 0.0000 34521.1844 -149090.9742 301.4821 -183612.1586 -148990.5944 300.0342 -21.8126 13.4531 556603.4064 39.1967 39.2005 PRESSURE: 1539800 -74.5216 -72.0628 60.6734 -72.0627 -114.863 55.574 60.6738 55.574 -16.6453 GPRESSURE: 1539800 -11.7214 -53.4212 77.8815 21.6427 -104.997 188.339 98.7399 8.23167 6.96229 PRESSAVG: 1539800 -14.6607 37.6498 8.9439 37.6498 -1.76579 22.2279 8.94401 22.2278 -5.80594 GPRESSAVG: 1539800 -15.2798 35.8403 8.80556 39.1086 -1.04001 23.919 7.80458 21.6654 -6.41507 TIMING: 1539800 CPU: 4464.54, 0.00290299/step Wall: 4464.54, 0.00290299/step, 2.79025 hours remaining, 209.503906 MB of memory in use. ENERGY: 1539800 721.3072 2151.9288 1928.4549 109.8341 -206362.4089 17861.8935 0.0000 0.0000 34258.9202 -149330.0701 299.1917 -183588.9904 -149233.3853 299.5893 -68.6765 -36.5855 557634.6199 -7.4108 -7.5783 PRESSURE: 1540000 15.121 167.588 10.0335 167.587 -123.749 22.8537 10.0332 22.8524 30.226 GPRESSURE: 1540000 78.5066 77.6148 103.293 144.318 -101.776 68.6765 -44.4186 12.0027 41.7201 PRESSAVG: 1540000 -14.1775 -14.6041 -20.4266 -14.6041 -27.6725 29.3254 -20.4266 29.3254 13.8266 GPRESSAVG: 1540000 -15.3531 -13.7327 -21.7241 -14.9439 -28.0753 29.3454 -21.3318 26.8861 15.0438 TIMING: 1540000 CPU: 4465.13, 0.00293281/step Wall: 4465.13, 0.00293281/step, 2.81876 hours remaining, 209.570312 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: 1540000 754.3042 2058.7608 1944.2319 111.1756 -206488.8690 17870.1885 0.0000 0.0000 34285.0903 -149465.1177 299.4202 -183750.2080 -149375.7332 298.7486 -26.1339 6.1503 556433.2243 -9.3411 -9.4616 PRESSURE: 1540200 198.387 39.9116 -51.9562 39.9115 -68.0818 -27.4269 -51.9562 -27.4276 -38.5446 GPRESSURE: 1540200 189.748 95.2286 -43.0117 20.2722 -81.2953 -98.3771 -78.9253 116.367 86.6047 PRESSAVG: 1540200 -15.1051 -19.8894 -7.65114 -19.8894 8.85514 1.85899 -7.65111 1.85914 65.1759 GPRESSAVG: 1540200 -15.0629 -20.0991 -6.93292 -20.746 9.0019 2.37847 -4.7589 3.72702 64.9306 TIMING: 1540200 CPU: 4465.71, 0.00290602/step Wall: 4465.71, 0.00290602/step, 2.79285 hours remaining, 209.570312 MB of memory in use. ENERGY: 1540200 771.0831 2049.0764 1919.4465 103.9816 -206455.4926 17929.8091 0.0000 0.0000 34065.8820 -149616.2139 297.5058 -183682.0958 -149515.0588 298.9538 30.5867 65.0192 557874.4910 19.6420 19.6232 LDB: ============= START OF LOAD BALANCING ============== 4469.1 LDB: ============== END OF LOAD BALANCING =============== 4469.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4469.1 LDB: ============= START OF LOAD BALANCING ============== 4469.39 LDB: Largest compute 4820 load 0.023076 is 19.6% of average load 0.117901 LDB: Average compute 0.001703 is 1.4% of average load 0.117901 LDB: TIME 4469.39 LOAD: AVG 0.117901 MAX 0.182665 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.246 MB LDB: TIME 4469.39 LOAD: AVG 0.117901 MAX 0.182665 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.246 MB LDB: TIME 4469.39 LOAD: AVG 0.117901 MAX 0.182665 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.246 MB LDB: ============== END OF LOAD BALANCING =============== 4469.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4469.4 PRESSURE: 1540400 -24.2107 -1.94966 46.5768 -1.94889 -170.497 -76.4356 46.5766 -76.4358 2.25433 GPRESSURE: 1540400 2.06663 129.653 42.7079 -116.762 -143.957 -62.1767 95.2382 -111.111 50.0066 PRESSAVG: 1540400 -10.4045 -7.96598 -16.474 -7.96589 -39.6812 59.6326 -16.474 59.6326 31.7085 GPRESSAVG: 1540400 -10.4136 -7.73919 -16.3554 -8.38029 -39.2411 59.3038 -17.2523 61.2859 31.4226 TIMING: 1540400 CPU: 4466.31, 0.00296512/step Wall: 4466.31, 0.00296512/step, 2.84948 hours remaining, 208.871094 MB of memory in use. ENERGY: 1540400 741.7430 2104.6314 1959.3219 108.4209 -206535.2716 17891.5512 0.0000 0.0000 34043.3727 -149686.2305 297.3092 -183729.6032 -149585.4919 298.0669 -64.1510 -30.6279 557721.2893 -6.1258 -6.0774 PRESSURE: 1540600 39.1981 85.2913 21.3034 85.2898 -282.413 184.878 21.304 184.88 -200.739 GPRESSURE: 1540600 99.1364 74.002 53.6381 102.795 -242.205 177.58 32.8449 189.946 -203.178 PRESSAVG: 1540600 39.9181 12.3454 6.64209 12.3454 -18.509 59.9938 6.64211 59.9937 -5.0699 GPRESSAVG: 1540600 41.1553 13.6063 5.34215 14.0523 -18.8238 57.6021 5.86579 59.2451 -6.05412 TIMING: 1540600 CPU: 4466.88, 0.00288652/step Wall: 4466.88, 0.00288652/step, 2.77379 hours remaining, 208.871094 MB of memory in use. ENERGY: 1540600 744.2738 2084.5765 1949.3632 112.4628 -206063.0418 17614.1212 0.0000 0.0000 33948.5623 -149609.6819 296.4812 -183558.2442 -149519.7098 297.9220 -147.9848 -115.4153 558776.5986 5.4464 5.4258 PRESSURE: 1540800 235.318 86.5709 134.635 86.5699 -140.583 15.5086 134.636 15.5079 -97.1372 GPRESSURE: 1540800 266.29 85.0068 226.037 39.2428 -128.465 85.1343 38.419 77.0529 -42.4982 PRESSAVG: 1540800 31.7553 -35.6881 15.8158 -35.6882 -44.8816 34.4231 15.8157 34.4231 -8.77709 GPRESSAVG: 1540800 30.9223 -37.1151 16.1893 -36.6593 -44.2849 36.2244 15.4858 33.6208 -8.00746 TIMING: 1540800 CPU: 4467.46, 0.00288098/step Wall: 4467.46, 0.00288098/step, 2.7683 hours remaining, 208.871094 MB of memory in use. ENERGY: 1540800 739.9028 2053.7753 1969.7802 129.3217 -206509.3886 17870.7163 0.0000 0.0000 34153.7194 -149592.1729 298.2729 -183745.8923 -149496.3000 297.7559 -0.8009 31.7754 558098.8065 -7.3011 -7.1233 PRESSURE: 1541000 -3.85831 83.9717 138.233 83.9714 -302.461 168.093 138.232 168.092 -305.746 GPRESSURE: 1541000 14.3578 93.3439 202.276 53.6066 -286.343 137.681 87.1626 102.85 -245.486 PRESSAVG: 1541000 27.1861 -37.6996 33.6807 -37.6995 -28.7049 -16.3858 33.6807 -16.3858 15.538 GPRESSAVG: 1541000 27.436 -36.9339 32.5412 -37.5605 -28.0626 -16.1937 33.316 -18.7236 14.5773 TIMING: 1541000 CPU: 4468.04, 0.00288715/step Wall: 4468.04, 0.00288715/step, 2.77407 hours remaining, 208.871094 MB of memory in use. ENERGY: 1541000 776.5059 2047.8069 1970.5375 114.5416 -206292.7290 17639.4227 0.0000 0.0000 34269.4983 -149474.4161 299.2841 -183743.9144 -149381.2167 298.2648 -204.0216 -172.4903 557561.4422 4.6731 4.6502 PRESSURE: 1541200 -49.9719 -70.9929 34.4794 -70.9918 -64.3701 -17.3055 34.479 -17.3077 -4.82831 GPRESSURE: 1541200 4.64111 -25.815 181.834 -92.5003 -68.0459 72.806 -59.7191 -95.0934 44 PRESSAVG: 1541200 16.6942 -48.167 -14.1698 -48.1671 -76.7141 -6.84306 -14.1699 -6.84307 62.1684 GPRESSAVG: 1541200 15.9113 -49.2599 -12.0918 -47.1884 -77.2164 -4.8675 -12.0789 -4.8052 63.0861 TIMING: 1541200 CPU: 4468.62, 0.00291287/step Wall: 4468.62, 0.00291287/step, 2.79863 hours remaining, 208.871094 MB of memory in use. ENERGY: 1541200 751.2442 2086.8621 1954.8342 126.6332 -206560.9892 17850.4407 0.0000 0.0000 34233.9961 -149556.9788 298.9740 -183790.9748 -149472.7136 298.3235 -39.7235 -6.4683 558226.5642 0.7162 0.5937 PRESSURE: 1541400 67.3453 113.339 75.4308 113.34 46.9413 132.285 75.431 132.286 90.7589 GPRESSURE: 1541400 91.8477 65.322 39.8255 215.867 70.3489 72.0208 21.7995 89.5219 128.812 PRESSAVG: 1541400 17.3458 -20.372 -3.84394 -20.3719 -9.09586 -3.24392 -3.84381 -3.24386 -42.0119 GPRESSAVG: 1541400 17.7505 -21.2771 -6.31771 -20.753 -7.60809 -3.38052 -4.28838 -4.12948 -43.5837 TIMING: 1541400 CPU: 4469.2, 0.00289734/step Wall: 4469.2, 0.00289734/step, 2.78354 hours remaining, 208.871094 MB of memory in use. ENERGY: 1541400 746.9400 2110.8397 1948.2657 100.0655 -206434.3332 17987.0570 0.0000 0.0000 34117.3652 -149423.8000 297.9554 -183541.1652 -149332.9069 298.6916 68.3485 97.0030 557542.8804 -11.2540 -11.1471 PRESSURE: 1541600 -98.8139 -92.4255 -32.1448 -92.4244 -198.968 166.394 -32.1447 166.394 -5.47185 GPRESSURE: 1541600 -83.6221 -62.1858 -67.6436 -118.519 -154.259 177.589 7.10584 129.052 42.077 PRESSAVG: 1541600 69.0039 2.52901 25.3712 2.52901 -31.7537 31.07 25.3713 31.0701 -49.2136 GPRESSAVG: 1541600 69.682 3.7565 28.0205 2.3499 -33.5971 29.5975 25.386 31.1801 -47.5836 TIMING: 1541600 CPU: 4469.78, 0.00288458/step Wall: 4469.78, 0.00288458/step, 2.77112 hours remaining, 208.871094 MB of memory in use. ENERGY: 1541600 759.4916 2124.3918 1939.9153 118.6619 -206567.3762 18064.6109 0.0000 0.0000 34102.7570 -149457.5476 297.8279 -183560.3046 -149356.1733 298.6921 -101.0845 -65.2681 559367.8766 -3.9878 -3.8329 PRESSURE: 1541800 -277.524 15.0686 -189.903 15.0688 -74.213 129.219 -189.903 129.22 -330.273 GPRESSURE: 1541800 -237.76 15.7269 -177.598 21.9115 -42.6679 82.993 -171.708 85.6293 -305.739 PRESSAVG: 1541800 53.0639 -22.0611 -25.5708 -22.061 -48.1673 0.825436 -25.5708 0.825373 21.1305 GPRESSAVG: 1541800 53.5277 -22.9377 -29.4775 -19.4398 -47.6133 2.74717 -25.4256 0.830779 20.0621 TIMING: 1541800 CPU: 4470.36, 0.00290679/step Wall: 4470.36, 0.00290679/step, 2.79229 hours remaining, 208.871094 MB of memory in use. ENERGY: 1541800 772.6603 2107.5715 1946.9251 125.9359 -206164.1568 17703.7968 0.0000 0.0000 34144.3248 -149362.9424 298.1909 -183507.2672 -149270.3171 299.8089 -227.3366 -195.3890 557539.9438 8.6757 8.6588 PRESSURE: 1542000 -282.8 45.5333 143.628 45.5335 8.57779 -98.3241 143.627 -98.3239 -184.289 GPRESSURE: 1542000 -247.682 -3.45354 125.789 47.4323 68.6287 -106.34 148.568 -96.8357 -191.719 PRESSAVG: 1542000 -2.76187 48.6953 16.015 48.6954 -55.3627 52.4206 16.0151 52.4206 82.598 GPRESSAVG: 1542000 -3.77675 46.9434 16.7364 49.2036 -54.7212 51.1335 17.2342 53.5949 82.4562 TIMING: 1542000 CPU: 4470.93, 0.00287989/step Wall: 4470.93, 0.00287989/step, 2.7663 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1542000 739.7256 2042.7009 1933.4657 112.4448 -205804.6006 17475.2926 0.0000 0.0000 34301.7869 -149199.1841 299.5660 -183500.9709 -149103.2013 299.0752 -152.8370 -123.5910 558479.6995 8.1578 7.9861 PRESSURE: 1542200 -208.139 7.41807 89.9654 7.41832 17.4439 81.2047 89.9657 81.205 -32.379 GPRESSURE: 1542200 -156.052 -22.4917 178.564 10.5359 37.498 177.704 117.178 -38.3796 -8.83505 PRESSAVG: 1542200 -5.86201 23.5963 14.5275 23.5964 -0.183213 63.0972 14.5276 63.0971 -50.925 GPRESSAVG: 1542200 -5.43225 26.2253 17.6672 21.8671 -1.84233 63.1006 11.4639 62.2561 -49.7382 TIMING: 1542200 CPU: 4471.51, 0.00290545/step Wall: 4471.51, 0.00290545/step, 2.79068 hours remaining, 208.871094 MB of memory in use. ENERGY: 1542200 728.2855 2067.1429 1968.2707 118.0272 -205987.5055 17612.9188 0.0000 0.0000 34375.3814 -149117.4791 300.2088 -183492.8605 -149016.9844 300.0957 -74.3581 -42.4631 557323.4067 -18.9901 -19.0043 PRESSURE: 1542400 -76.6473 123.67 -19.7019 123.671 -13.3689 122.217 -19.7007 122.218 86.2084 GPRESSURE: 1542400 -42.2045 92.2055 9.47879 161.43 29.7552 65.1296 -9.16175 127.72 100.046 PRESSAVG: 1542400 -32.8324 6.30598 -79.9708 6.30597 37.9055 1.79066 -79.9707 1.79079 -0.0668012 GPRESSAVG: 1542400 -32.7475 5.49459 -83.5715 5.3042 38.4824 0.0745001 -77.9323 3.04187 -0.598576 TIMING: 1542400 CPU: 4472.09, 0.00289629/step Wall: 4472.09, 0.00289629/step, 2.78173 hours remaining, 208.871094 MB of memory in use. ENERGY: 1542400 738.3147 2082.2645 1955.9489 116.3074 -206249.7379 17785.7867 0.0000 0.0000 34346.5447 -149224.5710 299.9569 -183571.1157 -149125.2126 299.2417 -1.2692 29.1988 557627.3409 1.6688 1.7121 PRESSURE: 1542600 235.687 -121.381 -68.8117 -121.381 -90.3102 -120.707 -68.8127 -120.707 -146.519 GPRESSURE: 1542600 240.537 -119.175 -78.1706 -162.288 -45.3294 -80.5541 -15.4257 -198.793 -108.461 PRESSAVG: 1542600 17.0773 25.3945 -11.2105 25.3945 -4.49393 -20.3583 -11.2105 -20.3583 -13.8332 GPRESSAVG: 1542600 16.9131 27.0061 -9.23124 23.9258 -4.17629 -19.3771 -12.5286 -21.6267 -14.577 TIMING: 1542600 CPU: 4472.67, 0.00290688/step Wall: 4472.67, 0.00290688/step, 2.79173 hours remaining, 208.871094 MB of memory in use. ENERGY: 1542600 739.2647 2151.5487 1930.9400 102.8130 -206404.5527 17855.6690 0.0000 0.0000 34284.5359 -149339.7814 299.4154 -183624.3173 -149248.9884 298.6703 -0.3810 28.9152 557253.7332 -0.4166 -0.6134 PRESSURE: 1542800 -28.5381 0.0763892 46.0103 0.077655 -55.3411 -39.1625 46.0102 -39.1634 -293.8 GPRESSURE: 1542800 3.09264 109.503 137.087 -72.154 -45.9312 28.7009 35.0814 -9.12211 -247.66 PRESSAVG: 1542800 -49.5942 -19.0084 -3.52636 -19.0084 58.5946 -42.2033 -3.52629 -42.2032 -8.4129 GPRESSAVG: 1542800 -49.0629 -18.9431 -3.28073 -18.1927 58.3867 -42.8605 -4.92688 -40.9314 -9.01694 TIMING: 1542800 CPU: 4473.26, 0.00290691/step Wall: 4473.26, 0.00290691/step, 2.79161 hours remaining, 208.871094 MB of memory in use. ENERGY: 1542800 762.1080 2069.2187 1952.1823 118.0059 -205938.4133 17596.4545 0.0000 0.0000 34128.7268 -149311.7170 298.0547 -183440.4438 -149220.4215 298.8499 -125.8932 -96.8330 558068.6412 0.1958 0.1023 PRESSURE: 1543000 110.437 -38.6956 244.958 -38.6957 216.946 51.5412 244.957 51.5415 -128.118 GPRESSURE: 1543000 188.252 -40.6721 267.542 -51.4189 244.448 -22.6465 211.336 147.171 -139.177 PRESSAVG: 1543000 -10.6258 9.18512 -8.49492 9.18501 38.8654 -10.4898 -8.49482 -10.4898 -40.3312 GPRESSAVG: 1543000 -11.3224 5.6931 -6.89603 10.1634 37.5514 -9.05002 -6.84951 -12.1455 -38.6701 TIMING: 1543000 CPU: 4473.84, 0.00291743/step Wall: 4473.84, 0.00291743/step, 2.80154 hours remaining, 208.871094 MB of memory in use. ENERGY: 1543000 771.4361 2059.1946 1917.0637 126.3105 -206102.9963 17854.7187 0.0000 0.0000 34202.7325 -149171.5401 298.7010 -183374.2726 -149072.0984 299.3951 66.4215 97.8410 556557.9383 -4.0306 -4.1471 PRESSURE: 1543200 -10.8187 77.8271 43.4845 77.8267 -135.975 77.7161 43.4849 77.7149 -129.045 GPRESSURE: 1543200 -57.5323 38.2966 -49.2266 104.69 -94.1374 85.8545 36.2449 108.509 -30.8803 PRESSAVG: 1543200 27.8659 4.82058 6.00736 4.82056 17.9469 61.8644 6.00739 61.8644 -65.9404 GPRESSAVG: 1543200 27.2271 5.42887 3.40477 6.18544 19.5652 62.0879 6.51209 63.0122 -66.8785 TIMING: 1543200 CPU: 4474.42, 0.00289172/step Wall: 4474.42, 0.00289172/step, 2.7767 hours remaining, 208.871094 MB of memory in use. ENERGY: 1543200 781.1537 2095.1827 1925.8587 120.9748 -205925.8771 17567.5312 0.0000 0.0000 34312.4277 -149122.7485 299.6590 -183435.1761 -149029.7430 300.2744 -91.9463 -60.8500 557345.1216 -6.7092 -6.6954 PRESSURE: 1543400 50.425 -2.73778 29.9969 -2.73852 -79.3561 116.732 29.9956 116.731 -14.3947 GPRESSURE: 1543400 74.3657 16.8009 34.7653 -9.71318 -25.2792 100.738 66.1166 72.432 1.75571 PRESSAVG: 1543400 44.8271 21.7675 21.6776 21.7674 -53.7554 55.1589 21.6776 55.1588 34.7904 GPRESSAVG: 1543400 45.2994 20.172 22.4611 20.478 -54.7419 55.0274 22.3206 55.5139 35.1371 TIMING: 1543400 CPU: 4475, 0.00289268/step Wall: 4475, 0.00289268/step, 2.77746 hours remaining, 208.871094 MB of memory in use. ENERGY: 1543400 762.4381 2040.1970 1951.9387 94.7828 -206186.2779 17800.0508 0.0000 0.0000 34623.6900 -148913.1806 302.3773 -183536.8705 -148820.2823 300.6850 -14.4419 16.9474 557066.5875 8.6207 8.5649 PRESSURE: 1543600 -96.0404 -102.585 202.751 -102.585 -94.535 -82.779 202.752 -82.7801 -72.1297 GPRESSURE: 1543600 -55.3261 -126.661 291.253 -96.6348 -53.7635 -61.3771 254.721 -50.0793 -59.1008 PRESSAVG: 1543600 1.7951 -46.484 22.6939 -46.4841 -27.1554 -7.24024 22.694 -7.24034 19.7075 GPRESSAVG: 1543600 1.3221 -44.7868 22.4932 -45.2987 -26.1023 -6.70549 20.5914 -6.61214 18.4169 TIMING: 1543600 CPU: 4475.57, 0.00289103/step Wall: 4475.57, 0.00289103/step, 2.77571 hours remaining, 208.871094 MB of memory in use. ENERGY: 1543600 762.2232 2106.5331 1945.4975 106.5365 -205796.9767 17615.3698 0.0000 0.0000 34404.3917 -148856.4248 300.4621 -183260.8166 -148759.6126 300.4862 -87.5684 -56.0634 558502.9852 -1.8843 -2.1211 PRESSURE: 1543800 -5.04817 -160.664 -88.8523 -160.664 196.287 -74.7541 -88.8537 -74.7522 -48.3295 GPRESSURE: 1543800 10.7313 -170.934 -76.4041 -57.3946 209.54 -47.0739 30.0143 -76.2796 18.9743 PRESSAVG: 1543800 46.8366 -41.0445 18.9677 -41.0446 -9.36453 -38.4284 18.9677 -38.4283 -43.9537 GPRESSAVG: 1543800 47.2338 -39.5547 18.7455 -42.9212 -9.84304 -38.9936 18.8121 -39.403 -43.659 TIMING: 1543800 CPU: 4476.16, 0.00291901/step Wall: 4476.16, 0.00291901/step, 2.80241 hours remaining, 208.871094 MB of memory in use. ENERGY: 1543800 751.2010 2111.7338 1969.5724 127.8146 -206240.8784 17841.6276 0.0000 0.0000 34464.1545 -148974.7745 300.9840 -183438.9290 -148879.5144 300.3567 47.6366 79.7486 558252.3251 -2.1605 -2.0894 PRESSURE: 1544000 158.986 -145.985 252.307 -145.986 30.854 65.7841 252.307 65.7843 -15.6262 GPRESSURE: 1544000 128.509 -201.187 212.323 -141.79 141.265 -13.9714 343.693 91.3225 6.13517 PRESSAVG: 1544000 53.7171 -17.6724 62.2548 -17.6724 -61.5567 -56.0227 62.2547 -56.0228 -6.94154 GPRESSAVG: 1544000 52.6507 -16.9977 65.327 -16.9029 -61.3012 -56.4759 61.7834 -55.1994 -6.34353 TIMING: 1544000 CPU: 4476.74, 0.00292061/step Wall: 4476.74, 0.00292061/step, 2.80378 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1544000 752.3794 2070.4955 1949.9840 116.9983 -206571.9255 18077.7920 0.0000 0.0000 34514.9172 -149089.3592 301.4274 -183604.2763 -148991.7653 300.5092 58.0712 91.9699 557164.5131 -4.9270 -4.9980 PRESSURE: 1544200 -59.2138 102.513 -46.7787 102.513 203.432 -243.736 -46.7798 -243.737 -312.547 GPRESSURE: 1544200 -11.4328 107.616 -17.5991 19.0011 213.494 -226.272 -73.0272 -146.354 -264.293 PRESSAVG: 1544200 44.4153 -46.6012 45.3881 -46.6012 -17.4634 -42.3788 45.3881 -42.3787 -45.8127 GPRESSAVG: 1544200 44.5724 -49.0053 42.8451 -45.9986 -18.1654 -42.2591 48.5931 -42.035 -45.48 TIMING: 1544200 CPU: 4477.32, 0.00291096/step Wall: 4477.32, 0.00291095/step, 2.79435 hours remaining, 208.871094 MB of memory in use. ENERGY: 1544200 757.5673 2096.6019 1926.8741 112.5824 -205593.6375 17656.9757 0.0000 0.0000 34130.6561 -148912.3800 298.0715 -183043.0361 -148813.3853 299.9168 -56.1096 -20.7439 558614.9808 -6.2869 -6.3577 LDB: ============= START OF LOAD BALANCING ============== 4480.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4480.71 LDB: =============== DONE WITH MIGRATION ================ 4480.71 LDB: ============= START OF LOAD BALANCING ============== 4481.01 LDB: Largest compute 4820 load 0.023954 is 20.3% of average load 0.117943 LDB: Average compute 0.001712 is 1.5% of average load 0.117943 LDB: TIME 4481.01 LOAD: AVG 0.117943 MAX 0.182592 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.645 MB LDB: TIME 4481.01 LOAD: AVG 0.117943 MAX 0.182592 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.887 MB LDB: TIME 4481.01 LOAD: AVG 0.117943 MAX 0.182592 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4481.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4481.01 PRESSURE: 1544400 -96.8429 75.5919 17.0921 75.5915 -187.777 -136.161 17.0921 -136.16 -336.472 GPRESSURE: 1544400 -49.8837 158.977 67.058 67.9161 -122.85 -125.82 -2.42494 -86.0767 -343.725 PRESSAVG: 1544400 -59.6361 -28.3174 80.2676 -28.3174 30.3446 -7.15096 80.2676 -7.15086 -0.553619 GPRESSAVG: 1544400 -57.7338 -27.7862 78.6431 -28.6434 29.9569 -6.68146 79.9669 -7.20792 -1.61501 TIMING: 1544400 CPU: 4477.92, 0.00296807/step Wall: 4477.92, 0.00296807/step, 2.84901 hours remaining, 208.871094 MB of memory in use. ENERGY: 1544400 743.9945 2080.8773 1922.5253 113.1659 -205448.2989 17258.8506 0.0000 0.0000 34433.0996 -148895.7856 300.7128 -183328.8852 -148796.1391 299.6252 -207.0306 -172.1530 558404.1475 -9.9484 -9.7973 PRESSURE: 1544600 -45.7905 19.8348 42.5644 19.833 225.359 -165.279 42.5644 -165.279 213.944 GPRESSURE: 1544600 4.13336 35.0165 69.3555 -60.6335 252.159 -229.675 -2.66659 -128.159 240.318 PRESSAVG: 1544600 -17.9988 -5.0169 74.3789 -5.01682 93.2702 -16.9247 74.3789 -16.9248 -51.5807 GPRESSAVG: 1544600 -18.363 -3.94965 75.9471 -3.92054 94.3549 -18.6972 73.4796 -17.018 -52.2401 TIMING: 1544600 CPU: 4478.5, 0.00288607/step Wall: 4478.5, 0.00288607/step, 2.77015 hours remaining, 208.941406 MB of memory in use. ENERGY: 1544600 746.3196 2074.7094 1936.1762 118.7919 -206108.5951 17877.9081 0.0000 0.0000 34570.0390 -148784.6510 301.9087 -183354.6900 -148681.1084 300.9092 131.1708 165.5367 555865.5947 7.8969 7.9172 PRESSURE: 1544800 -159.447 -251.443 63.2078 -251.444 -92.1103 52.0149 63.2076 52.0155 -100.145 GPRESSURE: 1544800 -107.511 -220.82 22.4871 -262.505 -67.2643 78.2823 163.716 95.2798 -94.3943 PRESSAVG: 1544800 -0.508538 -27.2095 34.617 -27.2095 48.1119 3.39139 34.617 3.39143 -32.137 GPRESSAVG: 1544800 -1.2067 -25.9281 35.6169 -28.5379 47.5763 5.76646 33.9978 0.272823 -31.089 TIMING: 1544800 CPU: 4479.07, 0.00287768/step Wall: 4479.07, 0.00287768/step, 2.76193 hours remaining, 208.941406 MB of memory in use. ENERGY: 1544800 779.4446 2098.8425 1939.5139 118.4490 -205920.8077 17632.4792 0.0000 0.0000 34517.3164 -148834.7620 301.4483 -183352.0784 -148738.4427 300.6922 -117.2339 -89.7233 556607.7149 5.1555 5.0935 PRESSURE: 1545000 -54.861 2.10089 59.2618 2.10074 -18.2086 64.7433 59.262 64.7419 42.7008 GPRESSURE: 1545000 -33.1136 13.1108 52.8236 25.4795 18.086 76.7477 119.002 38.0902 91.5365 PRESSAVG: 1545000 0.395162 -5.59029 31.1377 -5.59028 -35.9931 -1.22094 31.1376 -1.22094 76.5997 GPRESSAVG: 1545000 -0.236806 -7.2902 31.4237 -4.89871 -35.7177 -1.6861 31.4372 2.00035 77.0674 TIMING: 1545000 CPU: 4479.65, 0.00289152/step Wall: 4479.65, 0.00289152/step, 2.77505 hours remaining, 208.941406 MB of memory in use. ENERGY: 1545000 746.2016 2067.5431 1963.4980 113.3958 -205519.5629 17372.5430 0.0000 0.0000 34133.3172 -149123.0641 298.0947 -183256.3814 -149026.5471 300.3389 -10.1230 25.5029 557495.4317 13.6673 13.7043 PRESSURE: 1545200 51.4621 -94.9196 106.204 -94.9206 75.2499 120.759 106.203 120.76 -114.067 GPRESSURE: 1545200 107.114 -104.733 68.9486 -78.775 92.2098 167.478 190.01 61.6698 -84.9067 PRESSAVG: 1545200 -42.9133 16.5129 15.0091 16.5129 19.0516 45.1824 15.0091 45.1825 -32.4621 GPRESSAVG: 1545200 -42.4524 18.6188 14.6338 13.369 18.9876 44.4131 13.2453 44.0733 -32.8896 TIMING: 1545200 CPU: 4480.23, 0.00290322/step Wall: 4480.23, 0.00290322/step, 2.78612 hours remaining, 208.941406 MB of memory in use. ENERGY: 1545200 747.2763 2080.1974 1920.2233 107.9744 -206038.5124 17823.1328 0.0000 0.0000 34243.5975 -149116.1106 299.0579 -183359.7082 -149021.9747 299.4689 4.2150 38.1391 558696.8372 -18.7746 -18.7848 PRESSURE: 1545400 -199.998 -107.269 -89.5123 -107.268 102.63 -22.3589 -89.5113 -22.3582 -78.3856 GPRESSURE: 1545400 -182.767 -139.262 -51.8153 -134.983 122.003 -25.8963 -96.9433 -110.248 -17.5417 PRESSAVG: 1545400 -69.267 13.8926 -60.7801 13.8926 42.1667 36.7627 -60.7801 36.7628 28.7157 GPRESSAVG: 1545400 -68.2295 13.3853 -60.3344 16.1935 41.0071 33.8581 -59.1287 38.208 29.6349 TIMING: 1545400 CPU: 4480.81, 0.00291152/step Wall: 4480.81, 0.00291152/step, 2.79393 hours remaining, 208.941406 MB of memory in use. ENERGY: 1545400 712.0973 2042.6608 1946.7610 104.9179 -205789.5509 17587.2065 0.0000 0.0000 34166.1449 -149229.7624 298.3814 -183395.9073 -149130.9980 299.1431 -58.5844 -26.1022 559916.5166 0.5384 0.8041 PRESSURE: 1545600 -195.629 -118.186 132.787 -118.187 72.4218 -149.571 132.787 -149.571 -108.581 GPRESSURE: 1545600 -174.164 -31.5994 102.942 -186.21 106.653 -91.3945 190.116 -138.009 -61.4376 PRESSAVG: 1545600 -15.4467 -35.4796 -22.1495 -35.4795 -7.70035 -28.8812 -22.1496 -28.8812 38.9174 GPRESSAVG: 1545600 -15.9052 -35.939 -23.143 -35.3298 -6.76115 -27.0963 -22.8975 -29.3206 38.7018 TIMING: 1545600 CPU: 4481.39, 0.0029085/step Wall: 4481.39, 0.0029085/step, 2.79087 hours remaining, 208.941406 MB of memory in use. ENERGY: 1545600 735.6776 2057.4712 1950.8454 95.8698 -205980.8944 17628.0137 0.0000 0.0000 34347.7662 -149165.2507 299.9676 -183513.0169 -149059.0013 299.5824 -77.2628 -42.9827 558395.3444 5.2568 5.3452 PRESSURE: 1545800 -70.6721 -18.1052 -106.399 -18.104 -268.609 -81.6597 -106.398 -81.6612 -133.603 GPRESSURE: 1545800 -22.3547 -31.0686 -152.016 -54.7355 -290.956 -39.7575 -81.3366 -3.58227 -57.443 PRESSAVG: 1545800 19.9134 -41.5509 1.90235 -41.5509 -25.7764 -32.6359 1.90233 -32.6358 19.5241 GPRESSAVG: 1545800 19.4858 -42.5008 2.33065 -40.7292 -24.2069 -31.3633 2.67002 -32.3565 18.6875 TIMING: 1545800 CPU: 4481.97, 0.00288662/step Wall: 4481.97, 0.00288662/step, 2.76971 hours remaining, 208.941406 MB of memory in use. ENERGY: 1545800 744.7962 2046.5647 1953.2220 117.3890 -206041.9307 17541.3694 0.0000 0.0000 34434.7779 -149203.8116 300.7275 -183638.5895 -149114.0133 299.5539 -157.6280 -123.5846 556833.6772 4.5537 4.6555 PRESSURE: 1546000 -110.435 3.22054 -32.1742 3.22048 3.36141 85.314 -32.1733 85.3141 157.892 GPRESSURE: 1546000 -43.0638 36.4569 -27.2947 -14.9765 34.6187 74.6608 -29.1588 76.0931 150.902 PRESSAVG: 1546000 11.8929 33.124 6.69149 33.124 0.966059 -16.1789 6.69146 -16.1788 -1.14071 GPRESSAVG: 1546000 12.0683 34.0385 5.92799 31.4965 -0.905825 -16.241 7.38261 -18.1965 0.143096 TIMING: 1546000 CPU: 4482.55, 0.0028808/step Wall: 4482.55, 0.0028808/step, 2.76397 hours remaining, 208.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1546000 696.5744 2039.2199 1946.1062 103.5177 -206311.3277 17813.8211 0.0000 0.0000 34381.8721 -149330.2163 300.2654 -183712.0884 -149231.9360 299.2736 16.9395 47.4857 556874.7164 3.9061 3.7685 PRESSURE: 1546200 8.88548 82.2192 1.27626 82.2185 -182.402 -26.3499 1.27629 -26.3495 -247.43 GPRESSURE: 1546200 33.9779 51.5801 -24.8245 150.47 -165.217 -35.8538 26.4494 -20.7554 -198.441 PRESSAVG: 1546200 10.0946 17.5863 -11.8771 17.5862 -11.8864 -63.1518 -11.8771 -63.1517 -30.8483 GPRESSAVG: 1546200 10.5483 17.6249 -10.7071 18.9213 -11.2118 -65.0127 -13.5442 -61.8136 -31.6157 TIMING: 1546200 CPU: 4483.13, 0.00291115/step Wall: 4483.13, 0.00291115/step, 2.79293 hours remaining, 208.941406 MB of memory in use. ENERGY: 1546200 748.8434 2069.7202 1928.3172 105.9545 -205849.8795 17390.0190 0.0000 0.0000 34331.9150 -149275.1101 299.8292 -183607.0252 -149183.0376 298.6203 -140.3156 -109.8934 557109.1329 -10.8800 -10.7597 PRESSURE: 1546400 137.188 -35.8639 -77.4399 -35.8641 295.181 -38.3867 -77.4396 -38.3875 78.7642 GPRESSURE: 1546400 243.667 41.7043 -34.44 -116.637 269.563 -131.891 -191.317 11.8003 104.143 PRESSAVG: 1546400 14.7969 10.4854 39.3071 10.4854 34.6208 -11.8286 39.3072 -11.8285 -30.9682 GPRESSAVG: 1546400 15.4129 11.2276 39.7782 9.35998 34.3248 -10.4633 39.57 -11.1606 -30.9609 TIMING: 1546400 CPU: 4483.72, 0.00292975/step Wall: 4483.72, 0.00292975/step, 2.81061 hours remaining, 208.941406 MB of memory in use. ENERGY: 1546400 756.8881 2068.3648 1917.8768 122.6349 -206602.9679 18158.6730 0.0000 0.0000 34422.2475 -149156.2828 300.6180 -183578.5303 -149065.6187 299.1869 170.3778 205.7911 556771.6074 6.1498 6.2589 PRESSURE: 1546600 -211.637 6.12135 104.809 6.12109 163.139 220.104 104.809 220.105 58.5618 GPRESSURE: 1546600 -183.449 -14.0416 107.584 28.5282 164.224 206.897 141.796 189.17 122.63 PRESSAVG: 1546600 -28.8787 -18.7101 27.4734 -18.7103 65.666 50.7945 27.4734 50.7945 -20.9172 GPRESSAVG: 1546600 -31.0966 -18.3068 27.1967 -18.5594 67.3608 50.8996 28.79 49.0708 -20.422 TIMING: 1546600 CPU: 4484.3, 0.00293712/step Wall: 4484.3, 0.00293712/step, 2.81752 hours remaining, 208.941406 MB of memory in use. ENERGY: 1546600 700.0830 2085.0133 1910.8740 119.4979 -206469.5763 17930.3211 0.0000 0.0000 34355.3945 -149368.3924 300.0342 -183723.7869 -149269.6162 299.0165 3.3549 34.4684 558674.7572 5.2900 5.2807 PRESSURE: 1546800 93.1804 20.036 -72.5673 20.0357 -88.6549 -32.6277 -72.566 -32.6275 104.824 GPRESSURE: 1546800 136.129 -67.6475 -140.678 104.974 -16.3263 -64.8016 -164.274 -8.61001 92.762 PRESSAVG: 1546800 6.12211 0.277306 -33.8335 0.277295 6.78657 1.35137 -33.8335 1.35119 21.4145 GPRESSAVG: 1546800 7.87801 0.70251 -34.6823 0.322877 4.72756 0.188233 -33.4902 1.17702 21.2612 TIMING: 1546800 CPU: 4484.89, 0.00292002/step Wall: 4484.89, 0.00292002/step, 2.80095 hours remaining, 208.941406 MB of memory in use. ENERGY: 1546800 711.9592 2077.3400 1971.3473 108.8121 -206437.2641 17978.0172 0.0000 0.0000 34248.7738 -149341.0144 299.1031 -183589.7883 -149246.3884 299.1980 36.4498 70.8549 558131.8051 11.4411 11.2889 PRESSURE: 1547000 -159.61 85.517 -33.6635 85.516 -73.2262 53.1748 -33.6634 53.1742 -141.956 GPRESSURE: 1547000 -87.3993 -25.8727 -58.7283 89.3855 -62.0255 65.8489 16.3512 -32.2726 -116.956 PRESSAVG: 1547000 71.1281 -23.6157 -5.25827 -23.6157 -128.176 -10.7412 -5.25823 -10.7412 -4.62818 GPRESSAVG: 1547000 70.8868 -24.0865 -4.82784 -23.2843 -127.947 -8.92062 -7.06483 -10.1483 -4.82681 TIMING: 1547000 CPU: 4485.47, 0.00291761/step Wall: 4485.47, 0.00291761/step, 2.79848 hours remaining, 208.941406 MB of memory in use. ENERGY: 1547000 735.4517 2054.7244 1942.2628 128.9307 -206178.4104 17680.1023 0.0000 0.0000 34170.7786 -149466.1600 298.4219 -183636.9386 -149365.2499 298.1517 -124.9310 -88.7935 557878.3914 -20.5588 -20.6289 PRESSURE: 1547200 -254.103 -166.283 3.65659 -166.281 85.2809 -19.9204 3.65582 -19.9194 -54.2865 GPRESSURE: 1547200 -177.874 -152.789 32.7835 -176.602 112.175 -80.6614 -5.57529 -107.635 -60.4093 PRESSAVG: 1547200 -17.3522 12.8495 -105.841 12.8496 61.0189 48.1649 -105.841 48.1648 8.81346 GPRESSAVG: 1547200 -18.3427 13.3712 -102.36 11.2884 61.5722 47.72 -107.191 49.709 9.08722 TIMING: 1547200 CPU: 4486.05, 0.00291083/step Wall: 4486.05, 0.00291083/step, 2.79181 hours remaining, 208.941406 MB of memory in use. ENERGY: 1547200 768.6309 2051.8747 1972.9628 111.2632 -206274.0617 17754.2601 0.0000 0.0000 34333.0065 -149282.0635 299.8387 -183615.0700 -149192.0826 298.5399 -74.3696 -42.0363 557033.9404 17.4934 17.4389 PRESSURE: 1547400 -211.375 -147.433 -43.1515 -147.432 266.827 -12.4095 -43.1519 -12.4094 136.583 GPRESSURE: 1547400 -210.754 -266.986 -76.626 -14.3595 293.321 110.867 -16.0911 -4.83687 203.189 PRESSAVG: 1547400 -76.4703 -61.8322 25.0576 -61.8323 2.30335 -65.6828 25.0576 -65.683 52.7792 GPRESSAVG: 1547400 -74.4713 -64.668 21.0622 -57.3287 2.22405 -64.8305 27.6877 -66.8644 51.2795 TIMING: 1547400 CPU: 4486.64, 0.00292332/step Wall: 4486.64, 0.00292332/step, 2.80363 hours remaining, 208.941406 MB of memory in use. ENERGY: 1547400 716.7377 2103.5409 1953.4875 106.6780 -206476.7510 17816.4458 0.0000 0.0000 34400.5214 -149379.3397 300.4283 -183779.8611 -149276.9767 298.9778 64.0119 95.2519 556952.4117 -7.1292 -6.9892 PRESSURE: 1547600 -243.129 82.3654 -67.219 82.365 -28.9392 -157.095 -67.2191 -157.096 -142.024 GPRESSURE: 1547600 -176.778 7.47784 -64.3534 104.33 -11.9949 -82.5171 -97.9585 -149.196 -118.482 PRESSAVG: 1547600 6.63184 -31.5639 39.3608 -31.564 3.04214 -40.2349 39.3608 -40.2349 -44.5625 GPRESSAVG: 1547600 5.45058 -31.4371 40.6614 -33.6038 3.60277 -40.3622 39.6614 -39.9523 -44.2386 TIMING: 1547600 CPU: 4487.22, 0.0029009/step Wall: 4487.22, 0.0029009/step, 2.78197 hours remaining, 208.941406 MB of memory in use. ENERGY: 1547600 743.2846 2061.1046 1957.2241 121.3777 -205957.2157 17676.0313 0.0000 0.0000 34067.4445 -149330.7490 297.5195 -183398.1934 -149242.4277 298.5840 -138.0307 -102.4184 558396.3561 -11.6295 -11.7284 PRESSURE: 1547800 -93.7721 47.304 18.4248 47.3033 -506.202 -55.5145 18.4249 -55.5169 -37.5789 GPRESSURE: 1547800 -51.6514 -37.9531 -115.992 188.351 -455.794 -52.7451 76.8927 -54.56 -27.5905 PRESSAVG: 1547800 41.0636 -17.0405 -37.0016 -17.0405 -56.9713 -24.353 -37.0017 -24.3531 -14.4641 GPRESSAVG: 1547800 40.3292 -15.7682 -36.6504 -17.2944 -57.0649 -24.0988 -36.8082 -26.0305 -13.9139 TIMING: 1547800 CPU: 4487.8, 0.00291524/step Wall: 4487.8, 0.00291524/step, 2.79555 hours remaining, 208.941406 MB of memory in use. ENERGY: 1547800 766.1772 2079.6687 1942.1070 117.1782 -206018.2221 17680.9075 0.0000 0.0000 34278.7194 -149153.4639 299.3646 -183432.1834 -149053.8610 299.0389 -212.5178 -178.3454 558356.7034 -10.1239 -10.2165 PRESSURE: 1548000 60.402 -19.289 48.8281 -19.2885 -60.855 37.5424 48.8287 37.5417 -250.42 GPRESSURE: 1548000 81.188 86.589 97.6741 -65.553 11.7476 -21.2881 24.7325 77.956 -243.03 PRESSAVG: 1548000 16.4244 46.5376 23.0377 46.5375 -2.16632 10.3905 23.0378 10.3907 -20.8393 GPRESSAVG: 1548000 17.682 45.9138 22.643 46.2809 -2.59722 8.27172 23.2204 11.5305 -21.6984 TIMING: 1548000 CPU: 4488.37, 0.00286826/step Wall: 4488.37, 0.00286826/step, 2.75034 hours remaining, 208.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1548000 733.9527 2069.6475 1958.7647 122.0374 -205825.9817 17746.9812 0.0000 0.0000 33922.6412 -149271.9570 296.2549 -183194.5982 -149173.3136 298.6194 -83.6244 -50.0315 558236.3702 -2.1938 -2.2045 PRESSURE: 1548200 75.637 -156.06 26.7126 -156.061 86.3247 -56.6528 26.7131 -56.6522 268.768 GPRESSURE: 1548200 135.294 -159.977 4.73724 -109.183 141.144 -60.2509 -15.9864 -109.784 262.581 PRESSAVG: 1548200 28.8992 -30.7736 9.34397 -30.7735 -7.09981 -69.02 9.34405 -69.0198 -13.2246 GPRESSAVG: 1548200 29.1047 -30.8719 12.1879 -31.279 -5.83248 -67.9837 7.64415 -68.2429 -14.2791 TIMING: 1548200 CPU: 4488.95, 0.00288689/step Wall: 4488.95, 0.00288689/step, 2.76804 hours remaining, 208.941406 MB of memory in use. ENERGY: 1548200 796.4418 2017.1722 1923.8149 125.1530 -206468.7264 18064.5408 0.0000 0.0000 34261.6114 -149279.9924 299.2152 -183541.6038 -149172.5061 298.3958 143.5765 179.6732 557203.2330 2.8582 2.9977 LDB: ============= START OF LOAD BALANCING ============== 4492.34 LDB: ============== END OF LOAD BALANCING =============== 4492.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4492.34 LDB: ============= START OF LOAD BALANCING ============== 4492.63 LDB: Largest compute 4792 load 0.024805 is 21.0% of average load 0.118044 LDB: Average compute 0.001715 is 1.5% of average load 0.118044 LDB: TIME 4492.63 LOAD: AVG 0.118044 MAX 0.182302 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.441 MB LDB: TIME 4492.63 LOAD: AVG 0.118044 MAX 0.182302 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.59 MB LDB: TIME 4492.63 LOAD: AVG 0.118044 MAX 0.182302 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4492.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4492.64 PRESSURE: 1548400 -316.048 197.643 -8.01759 197.642 -125.49 149.382 -8.01804 149.383 -372.062 GPRESSURE: 1548400 -281.903 236.293 -34.6546 149.442 -90.433 200.434 -6.03245 124.766 -332.375 PRESSAVG: 1548400 -4.67801 81.8434 5.91966 81.8434 5.13874 -8.08242 5.91963 -8.08241 -20.85 GPRESSAVG: 1548400 -4.99625 82.6599 3.04448 82.9233 4.95533 -7.89107 7.71701 -8.70496 -20.1879 TIMING: 1548400 CPU: 4489.54, 0.00295386/step Wall: 4489.54, 0.00295386/step, 2.8321 hours remaining, 209.203125 MB of memory in use. ENERGY: 1548400 782.8018 2130.4562 1943.7301 112.7802 -206160.5263 17596.8213 0.0000 0.0000 34425.3377 -149168.5989 300.6450 -183593.9366 -149080.2644 299.4995 -271.2000 -234.9035 559529.7793 -6.7964 -6.7430 PRESSURE: 1548600 118.632 -122.694 -26.1329 -122.694 -184.813 121.874 -26.133 121.874 -177.714 GPRESSURE: 1548600 182.923 -68.1537 -15.5945 -76.4797 -154.248 159.97 -86.2592 118.493 -163.37 PRESSAVG: 1548600 -22.6528 -15.5704 -22.0375 -15.5705 -44.0157 -21.3431 -22.0375 -21.343 56.852 GPRESSAVG: 1548600 -22.9656 -16.0155 -20.9901 -15.5074 -44.2646 -24.1122 -21.163 -20.4914 56.8838 TIMING: 1548600 CPU: 4490.13, 0.00291363/step Wall: 4490.13, 0.00291363/step, 2.79336 hours remaining, 209.406250 MB of memory in use. ENERGY: 1548600 756.9758 2094.4098 1942.7436 109.4718 -205913.0344 17655.8741 0.0000 0.0000 34086.8555 -149266.7037 297.6890 -183353.5592 -149172.1973 299.5495 -81.2981 -44.8983 559096.1873 -3.2722 -3.4488 PRESSURE: 1548800 120.873 18.6851 -5.06862 18.6842 -67.161 82.6992 -5.06806 82.6971 3.82941 GPRESSURE: 1548800 119.208 24.1334 -73.6087 78.3886 27.9512 113.866 34.597 28.993 22.9083 PRESSAVG: 1548800 -26.5382 -20.5666 -42.8828 -20.5665 -12.8229 3.41894 -42.8828 3.41895 -7.08025 GPRESSAVG: 1548800 -26.9684 -21.5485 -44.1173 -22.5667 -11.7349 6.24164 -44.6442 1.8837 -7.3474 TIMING: 1548800 CPU: 4490.71, 0.00290378/step Wall: 4490.71, 0.00290378/step, 2.78376 hours remaining, 209.660156 MB of memory in use. ENERGY: 1548800 764.8543 2048.6690 1929.4380 112.7726 -206453.7967 17857.7662 0.0000 0.0000 34282.1021 -149458.1946 299.3941 -183740.2967 -149358.6011 299.5885 19.1806 56.6892 557425.2473 -15.4804 -15.3502 PRESSURE: 1549000 -98.4477 27.7764 71.4718 27.7757 -95.2384 -52.212 71.4712 -52.2133 46.0562 GPRESSURE: 1549000 -73.4928 59.1253 5.44598 38.3195 33.8293 12.2096 22.6756 -60.2925 -16.1472 PRESSAVG: 1549000 15.6253 5.33324 8.01172 5.33322 17.3325 33.4381 8.01177 33.438 -12.2471 GPRESSAVG: 1549000 16.1347 5.98557 10.3083 6.78192 16.5661 34.3401 6.2664 34.1188 -12.4483 TIMING: 1549000 CPU: 4491.29, 0.00291565/step Wall: 4491.29, 0.00291565/step, 2.79497 hours remaining, 209.660156 MB of memory in use. ENERGY: 1549000 742.9082 2085.3898 1940.1642 118.1662 -206379.3245 17709.6630 0.0000 0.0000 34169.6063 -149613.4267 298.4117 -183783.0330 -149518.1169 298.0951 -49.2100 -18.6036 556937.3067 6.9036 6.7509 PRESSURE: 1549200 -168.364 -71.7901 -85.1134 -71.7894 -133.435 -72.325 -85.1134 -72.3228 -175.149 GPRESSURE: 1549200 -146.388 -65.4364 -132.879 -42.8624 -78.4236 -7.10335 -19.607 -111.269 -157.839 PRESSAVG: 1549200 17.0506 -0.841414 15.5584 -0.841408 57.569 28.3549 15.5583 28.3548 -37.5431 GPRESSAVG: 1549200 17.5018 -1.19408 13.7074 -1.23815 56.6334 28.1841 17.347 26.758 -36.9954 TIMING: 1549200 CPU: 4491.87, 0.00291535/step Wall: 4491.87, 0.00291536/step, 2.79453 hours remaining, 209.660156 MB of memory in use. ENERGY: 1549200 714.2950 2127.5964 1965.2501 124.5135 -206128.7262 17342.0889 0.0000 0.0000 34149.3588 -149705.6235 298.2348 -183854.9823 -149603.9957 297.6601 -158.9828 -127.5501 554250.5161 12.3588 12.3799 PRESSURE: 1549400 38.4995 137.529 -19.0091 137.53 -50.0749 -105.355 -19.01 -105.356 78.6034 GPRESSURE: 1549400 29.7646 156.529 9.51416 51.9535 26.3629 -119.053 -38.4608 -142.964 106.583 PRESSAVG: 1549400 -1.15235 20.0041 8.01925 20.0041 53.8806 1.4419 8.01927 1.44197 -8.99376 GPRESSAVG: 1549400 0.235827 19.8111 7.80798 22.4354 53.8884 0.459761 6.81091 4.27762 -9.52685 TIMING: 1549400 CPU: 4492.45, 0.00289531/step Wall: 4492.45, 0.00289531/step, 2.77516 hours remaining, 209.660156 MB of memory in use. ENERGY: 1549400 740.9044 2082.6546 1918.3748 114.3789 -206465.8568 17761.6954 0.0000 0.0000 34278.4743 -149569.3744 299.3624 -183847.8487 -149470.9218 297.8541 22.3427 54.2369 555942.6774 14.5782 14.8658 PRESSURE: 1549600 -143.12 -46.0961 42.1873 -46.0943 -57.4498 12.2926 42.1871 12.2919 -156.357 GPRESSURE: 1549600 -106.156 3.3374 70.4612 -99.5611 -2.94952 11.2995 88.1453 61.7686 -140.455 PRESSAVG: 1549600 -49.1277 -33.0365 46.3212 -33.0365 58.5176 -6.63044 46.3212 -6.63044 7.07745 GPRESSAVG: 1549600 -49.8925 -32.3809 47.0222 -35.2391 59.0978 -6.79227 46.7039 -7.76468 6.81228 TIMING: 1549600 CPU: 4493.03, 0.00288691/step Wall: 4493.03, 0.00288691/step, 2.76694 hours remaining, 209.660156 MB of memory in use. ENERGY: 1549600 757.2808 2074.3874 1908.4016 126.3950 -206466.7413 17817.9722 0.0000 0.0000 34175.2643 -149607.0399 298.4611 -183782.3042 -149500.9428 298.5753 -118.9757 -83.1870 557940.2521 5.4891 5.3392 PRESSURE: 1549800 -51.8499 10.4228 213.573 10.4227 -172.284 -107.293 213.574 -107.291 -91.8357 GPRESSURE: 1549800 -50.7407 -71.0509 203.355 39.0359 -98.7721 -119.809 229.344 -63.5051 -74.5937 PRESSAVG: 1549800 17.2689 -9.44292 -4.36894 -9.44293 60.5421 -13.6261 -4.36899 -13.626 -16.0703 GPRESSAVG: 1549800 15.7448 -9.21863 -3.91694 -9.73638 61.0046 -12.4187 -3.48397 -14.6523 -14.8848 TIMING: 1549800 CPU: 4493.61, 0.00291786/step Wall: 4493.61, 0.00291786/step, 2.79645 hours remaining, 209.660156 MB of memory in use. ENERGY: 1549800 737.7449 2035.5504 1938.4257 121.0438 -206611.3731 17769.3763 0.0000 0.0000 34282.2560 -149726.9760 299.3955 -184009.2320 -149630.6203 298.0161 -105.3232 -74.7022 557502.9879 20.5802 20.6215 PRESSURE: 1550000 346.117 65.3249 -41.2344 65.3236 6.32324 -54.7123 -41.2338 -54.711 -284.895 GPRESSURE: 1550000 357.07 39.9525 22.2045 75.8103 19.0434 72.5573 -6.48741 -42.2006 -204.174 PRESSAVG: 1550000 11.1383 -59.5313 46.941 -59.5312 38.228 -59.7522 46.9411 -59.7522 -47.3966 GPRESSAVG: 1550000 13.0465 -59.3699 49.135 -60.5241 36.0089 -60.3028 44.6055 -57.1292 -47.7285 TIMING: 1550000 CPU: 4494.19, 0.00290744/step Wall: 4494.19, 0.00290744/step, 2.78629 hours remaining, 209.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1550000 759.7144 2135.8375 1923.3194 125.3513 -206698.5336 18028.8229 0.0000 0.0000 34151.0149 -149574.4731 298.2493 -183725.4880 -149482.7401 298.4507 22.5151 57.3133 557745.5278 0.6566 0.4423 PRESSURE: 1550200 -90.1833 -132.442 -44.0973 -132.442 -19.9978 -226.114 -44.0968 -226.114 57.4098 GPRESSURE: 1550200 -97.853 -168.288 -54.3487 -101.393 -21.2264 -243.934 -54.0925 -210.708 165.568 PRESSAVG: 1550200 21.1424 -67.3187 -7.60444 -67.3187 -65.2247 8.89974 -7.60445 8.8997 16.8369 GPRESSAVG: 1550200 20.062 -67.751 -10.4419 -66.2509 -64.3893 3.95867 -7.42565 10.3859 16.6669 TIMING: 1550200 CPU: 4494.77, 0.00289477/step Wall: 4494.77, 0.00289477/step, 2.77399 hours remaining, 209.660156 MB of memory in use. ENERGY: 1550200 724.5820 2149.9841 1947.5715 113.5909 -206405.4369 17807.7174 0.0000 0.0000 34093.9735 -149568.0174 297.7512 -183661.9909 -149468.4069 298.2622 -17.5904 15.4960 556826.6488 -9.0818 -9.2202 PRESSURE: 1550400 240.979 88.8466 82.0283 88.8457 -21.1835 -216.973 82.0274 -216.973 85.3863 GPRESSURE: 1550400 192.535 74.339 89.0663 49.7236 30.286 -266.892 49.9234 -127.63 166.763 PRESSAVG: 1550400 -42.2087 -39.864 -35.5345 -39.8639 29.6406 -74.3777 -35.5345 -74.3778 23.1355 GPRESSAVG: 1550400 -43.0983 -40.5612 -33.7532 -40.3483 31.1902 -71.3178 -34.3279 -78.2695 22.6808 TIMING: 1550400 CPU: 4495.35, 0.00290328/step Wall: 4495.35, 0.00290328/step, 2.78199 hours remaining, 209.660156 MB of memory in use. ENERGY: 1550400 748.1524 2174.0591 1939.0146 111.8262 -206400.5997 18003.1960 0.0000 0.0000 34017.1046 -149407.2467 297.0798 -183424.3514 -149322.2786 298.0921 101.7273 129.8616 557083.9005 3.5225 3.5909 PRESSURE: 1550600 136.228 119.228 17.6732 119.228 5.33539 -126.858 17.6741 -126.859 -73.0426 GPRESSURE: 1550600 147.028 122.408 50.4194 79.3373 18.928 -184.914 6.71876 -113.95 0.328028 PRESSAVG: 1550600 -31.7163 1.18137 -12.2827 1.18134 26.5403 -5.85306 -12.2826 -5.85311 -31.5096 GPRESSAVG: 1550600 -30.8841 0.805381 -10.9088 2.03908 25.5123 -6.57986 -13.0854 -3.93465 -31.6918 TIMING: 1550600 CPU: 4495.93, 0.00290004/step Wall: 4495.93, 0.00290004/step, 2.77872 hours remaining, 209.660156 MB of memory in use. ENERGY: 1550600 768.3208 2072.3757 1938.9216 121.1187 -206501.4012 17981.9870 0.0000 0.0000 34252.0473 -149366.6301 299.1316 -183618.6774 -149280.1217 299.1827 22.8402 55.4278 557310.8380 -12.2286 -12.3545 PRESSURE: 1550800 60.2955 -124.092 -133.794 -124.092 55.539 -144.724 -133.793 -144.724 -242.11 GPRESSURE: 1550800 67.0931 -93.4662 -157.417 -111.545 47.2273 -219.21 -173.656 -162.169 -155.782 PRESSAVG: 1550800 -6.25659 -57.0127 -16.2093 -57.0127 1.60822 -31.9641 -16.2093 -31.9641 24.1179 GPRESSAVG: 1550800 -7.22587 -56.7546 -19.6458 -55.2091 2.05151 -30.3985 -13.3029 -31.9124 24.3913 TIMING: 1550800 CPU: 4496.51, 0.00290676/step Wall: 4496.51, 0.00290676/step, 2.785 hours remaining, 209.660156 MB of memory in use. ENERGY: 1550800 711.9586 2067.0161 1959.9601 122.6738 -206229.9981 17647.6842 0.0000 0.0000 34356.0345 -149364.6708 300.0398 -183720.7053 -149266.5953 299.3203 -42.0917 -13.8206 557980.4299 6.4898 6.4057 PRESSURE: 1551000 -75.0096 10.7889 -99.1631 10.7885 6.77591 222.895 -99.1646 222.896 -162.022 GPRESSURE: 1551000 -54.0119 -108.566 -136.904 18.8859 27.4827 158.993 -108.625 319.862 -111.914 PRESSAVG: 1551000 26.3823 -6.60929 -27.1458 -6.60937 -38.7778 8.99667 -27.1458 8.99669 -1.80494 GPRESSAVG: 1551000 28.0973 -5.65211 -26.8765 -7.40045 -40.233 9.37925 -28.8019 8.25577 -2.10344 TIMING: 1551000 CPU: 4497.1, 0.00291126/step Wall: 4497.1, 0.00291126/step, 2.78915 hours remaining, 209.660156 MB of memory in use. ENERGY: 1551000 744.6140 2078.0961 1947.6120 125.0552 -206125.3660 17769.7789 0.0000 0.0000 34021.9215 -149438.2883 297.1219 -183460.2098 -149347.4070 299.0178 -76.7518 -46.1479 559389.2711 -4.7335 -4.7464 PRESSURE: 1551200 100.262 76.5761 71.1792 76.5758 -3.90509 -121.845 71.1772 -121.844 248.885 GPRESSURE: 1551200 148.207 125.941 1.36961 111.193 24.1407 -157.972 118.61 -104.912 259.562 PRESSAVG: 1551200 7.07797 27.4699 16.9202 27.4699 -26.592 35.7343 16.9202 35.7344 41.3456 GPRESSAVG: 1551200 5.41346 26.9835 19.2106 26.1173 -25.6574 35.6133 17.0757 35.0156 42.172 TIMING: 1551200 CPU: 4497.68, 0.00291792/step Wall: 4497.68, 0.00291792/step, 2.79537 hours remaining, 209.660156 MB of memory in use. ENERGY: 1551200 768.6172 2056.0662 1913.2925 104.7665 -206483.8358 17939.6675 0.0000 0.0000 34258.8857 -149442.5403 299.1914 -183701.4260 -149351.8254 298.6566 115.0806 143.9699 558096.8079 7.2772 7.3094 PRESSURE: 1551400 -271.905 -57.5471 134.221 -57.5471 -102.448 111.354 134.222 111.352 -47.4818 GPRESSURE: 1551400 -183.214 -123.446 216.954 -63.0667 -117.397 114.619 76.974 137.946 -20.8975 PRESSAVG: 1551400 58.4309 -17.3617 7.52332 -17.3617 -16.477 27.1712 7.52344 27.1712 -41.9827 GPRESSAVG: 1551400 59.7925 -16.6658 5.58378 -18.4864 -16.2584 26.3404 7.43882 28.4902 -43.5187 TIMING: 1551400 CPU: 4498.26, 0.00290319/step Wall: 4498.26, 0.00290319/step, 2.78109 hours remaining, 209.660156 MB of memory in use. ENERGY: 1551400 770.2071 2068.0569 1941.2760 103.5631 -206084.6636 17883.4680 0.0000 0.0000 34002.0034 -149316.0890 296.9480 -183318.0925 -149226.7347 298.4218 -140.6116 -107.1697 559730.7122 -0.0096 0.0052 PRESSURE: 1551600 74.6775 66.3831 23.9703 66.3829 -101.766 -164.99 23.97 -164.99 -76.0641 GPRESSURE: 1551600 102.297 81.0466 19.4837 113.991 -57.6264 -154.295 57.7396 -141.629 -46.0906 PRESSAVG: 1551600 -18.7837 -25.2865 31.1478 -25.2863 -12.6801 -6.9208 31.1479 -6.92082 24.3507 GPRESSAVG: 1551600 -19.6343 -25.111 29.8683 -23.4972 -14.3775 -6.79868 31.9846 -6.43901 26.6628 TIMING: 1551600 CPU: 4498.85, 0.00293073/step Wall: 4498.85, 0.00293073/step, 2.80731 hours remaining, 209.660156 MB of memory in use. ENERGY: 1551600 769.1758 2100.1184 1970.1979 100.1084 -206411.5781 17784.8086 0.0000 0.0000 34247.8289 -149439.3401 299.0948 -183687.1691 -149341.9615 298.4416 -34.3841 -0.4734 558322.4091 -2.3710 -2.4497 PRESSURE: 1551800 56.4789 -204.587 -179.055 -204.587 103.574 -76.6315 -179.055 -76.6303 286.888 GPRESSURE: 1551800 95.8406 -186.9 -81.6405 -172.298 117.433 -125.343 -181.319 -43.4804 332.326 PRESSAVG: 1551800 8.67106 2.68975 -18.6287 2.68968 -22.1792 14.672 -18.6286 14.6721 18.3438 GPRESSAVG: 1551800 10.165 3.99613 -17.2878 1.2613 -21.2162 17.4044 -19.2169 12.8011 16.4366 TIMING: 1551800 CPU: 4499.43, 0.00291825/step Wall: 4499.43, 0.00291825/step, 2.79519 hours remaining, 209.660156 MB of memory in use. ENERGY: 1551800 728.2632 2100.8624 1942.3369 105.4261 -206623.6465 18037.7692 0.0000 0.0000 34209.3557 -149499.6330 298.7588 -183708.9887 -149402.6666 298.2709 148.9805 181.8665 556246.5636 1.6119 1.7951 PRESSURE: 1552000 373.367 21.1238 -120.69 21.1227 284.348 3.0022 -120.69 3.00224 68.1861 GPRESSURE: 1552000 467.518 54.4975 -60.8198 19.2806 287.583 38.9186 -127.322 -39.2244 59.5505 PRESSAVG: 1552000 12.9661 -12.76 -14.1283 -12.76 84.1035 -11.5542 -14.1283 -11.5543 -64.5039 GPRESSAVG: 1552000 12.7959 -13.6247 -15.4376 -11.9675 83.2161 -12.9788 -12.1083 -9.27987 -63.2888 TIMING: 1552000 CPU: 4500.01, 0.00291519/step Wall: 4500.01, 0.00291519/step, 2.7921 hours remaining, 209.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1552000 741.7052 2093.7329 1941.4518 109.0477 -206685.5873 18148.7814 0.0000 0.0000 34169.3029 -149481.5654 298.4090 -183650.8683 -149388.9454 298.5410 241.9671 271.5507 555412.9268 10.8553 10.9077 PRESSURE: 1552200 -93.1115 -70.3938 20.206 -70.3947 -42.9105 52.6757 20.2069 52.6752 -129.125 GPRESSURE: 1552200 -23.3826 -81.4123 -15.1864 -26.597 -44.659 64.2003 -17.5942 58.3413 -93.486 PRESSAVG: 1552200 22.1734 20.0484 -94.9713 20.0484 -30.145 30.9406 -94.9713 30.9407 -57.2399 GPRESSAVG: 1552200 19.8487 19.8278 -92.7287 18.6441 -28.6031 31.9235 -97.9876 30.8 -56.3172 TIMING: 1552200 CPU: 4500.59, 0.00288315/step Wall: 4500.59, 0.00288315/step, 2.76126 hours remaining, 209.660156 MB of memory in use. ENERGY: 1552200 756.8779 2105.0505 1948.8513 105.6358 -206399.1625 17816.3027 0.0000 0.0000 34241.7001 -149424.7440 299.0413 -183666.4442 -149336.3836 299.2599 -88.3823 -53.8425 556668.8150 -21.7372 -21.6906 LDB: ============= START OF LOAD BALANCING ============== 4503.97 LDB: ============== END OF LOAD BALANCING =============== 4503.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4503.97 LDB: ============= START OF LOAD BALANCING ============== 4504.26 LDB: Largest compute 4820 load 0.023029 is 19.5% of average load 0.117980 LDB: Average compute 0.001717 is 1.5% of average load 0.117980 LDB: TIME 4504.26 LOAD: AVG 0.11798 MAX 0.182032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.836 MB LDB: TIME 4504.26 LOAD: AVG 0.11798 MAX 0.182032 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.836 MB LDB: TIME 4504.27 LOAD: AVG 0.11798 MAX 0.182032 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.836 MB LDB: ============== END OF LOAD BALANCING =============== 4504.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4504.27 PRESSURE: 1552400 46.2729 -105.955 -89.8222 -105.955 -136.065 -4.67407 -89.8224 -4.67233 -14.1706 GPRESSURE: 1552400 53.1507 -57.917 -161.35 -126.974 -88.9566 17.2591 -59.5705 51.7139 39.3796 PRESSAVG: 1552400 -30.1575 49.5837 19.6038 49.5836 12.6616 14.0005 19.6038 14.0005 36.7204 GPRESSAVG: 1552400 -28.794 48.8823 18.8234 51.0328 13.333 14.3795 20.3134 14.4076 35.1013 TIMING: 1552400 CPU: 4501.18, 0.00292423/step Wall: 4501.18, 0.00292423/step, 2.80044 hours remaining, 209.414062 MB of memory in use. ENERGY: 1552400 769.7747 2005.1133 1934.8556 111.1412 -206199.1710 17729.8820 0.0000 0.0000 34175.6532 -149472.7510 298.4645 -183648.4042 -149380.2158 299.2841 -34.6541 1.1912 555721.9948 6.4081 6.5467 PRESSURE: 1552600 128.833 163.356 -52.114 163.354 -31.267 -199.057 -52.1122 -199.057 271.448 GPRESSURE: 1552600 101.527 218.208 -88.527 104.261 55.0206 -194.507 -42.8302 -199.697 307.324 PRESSAVG: 1552600 -44.1053 -36.8461 14.2099 -36.8461 1.84882 44.4493 14.21 44.4494 32.4848 GPRESSAVG: 1552600 -43.8416 -35.4856 13.6241 -37.4025 1.53411 42.4066 15.3441 43.9458 32.7489 TIMING: 1552600 CPU: 4501.75, 0.00288096/step Wall: 4501.75, 0.00288096/step, 2.75884 hours remaining, 209.671875 MB of memory in use. ENERGY: 1552600 743.6749 2072.0639 1949.2470 116.9068 -206490.6269 17966.4696 0.0000 0.0000 34133.6593 -149508.6055 298.0977 -183642.2647 -149413.2380 298.9409 123.0044 154.6237 555503.0717 -3.2572 -3.1862 PRESSURE: 1552800 -168.692 53.3065 44.7411 53.3062 18.7967 43.1224 44.7433 43.1227 203.183 GPRESSURE: 1552800 -68.0203 60.4704 3.42336 25.5645 37.4857 60.5133 124.837 37.5106 180.401 PRESSAVG: 1552800 15.8497 -21.7512 -18.9353 -21.7511 8.11054 40.7971 -18.9354 40.7971 11.172 GPRESSAVG: 1552800 15.7444 -24.2889 -18.0134 -20.0932 7.70302 42.7055 -17.6957 39.5265 11.7725 TIMING: 1552800 CPU: 4502.33, 0.00288626/step Wall: 4502.33, 0.00288626/step, 2.76375 hours remaining, 209.671875 MB of memory in use. ENERGY: 1552800 743.4485 2081.4332 1942.2093 103.1889 -206469.9407 17903.0312 0.0000 0.0000 34055.2269 -149641.4026 297.4128 -183696.6295 -149548.2047 298.2071 17.7626 49.9554 555822.1320 11.7107 11.7400 PRESSURE: 1553000 70.7177 -70.2608 -76.311 -70.2626 -174.041 116.633 -76.311 116.633 -310.906 GPRESSURE: 1553000 116.979 -52.6127 -92.8745 -96.5336 -154.391 135.098 -53.0682 62.2762 -264.13 PRESSAVG: 1553000 -24.1197 -28.915 40.6613 -28.915 4.85427 -15.216 40.6612 -15.216 7.52805 GPRESSAVG: 1553000 -24.4242 -28.7862 40.7098 -28.7166 5.00495 -16.4824 40.0148 -14.7978 7.95621 TIMING: 1553000 CPU: 4502.91, 0.00291383/step Wall: 4502.91, 0.00291383/step, 2.78999 hours remaining, 209.671875 MB of memory in use. ENERGY: 1553000 793.1191 2113.5396 1929.7258 116.4113 -206460.0453 17740.0212 0.0000 0.0000 34123.1665 -149644.0618 298.0061 -183767.2283 -149553.9984 297.8993 -138.0766 -100.5139 557072.3174 -3.9124 -3.8210 PRESSURE: 1553200 -145.123 4.64508 44.4005 4.64522 143.762 42.4212 44.4015 42.4217 262.673 GPRESSURE: 1553200 -119.365 34.9083 28.3179 55.0899 157.457 45.2251 56.9876 33.9103 323.675 PRESSAVG: 1553200 -22.0507 -66.1436 -2.79683 -66.1436 2.17832 19.0456 -2.79679 19.0456 5.00825 GPRESSAVG: 1553200 -22.3375 -64.7772 -3.17542 -66.9402 2.38674 19.515 -3.58799 20.0785 4.88294 TIMING: 1553200 CPU: 4503.5, 0.00293759/step Wall: 4503.5, 0.00293759/step, 2.81258 hours remaining, 209.671875 MB of memory in use. ENERGY: 1553200 760.7012 2108.5458 1981.7424 112.7711 -206761.1098 18028.6966 0.0000 0.0000 34249.9565 -149518.6962 299.1134 -183768.6527 -149427.7046 297.7877 87.1039 120.5892 558389.5997 -4.9547 -5.0226 PRESSURE: 1553400 147.955 -164.919 11.5472 -164.92 16.347 187.01 11.5473 187.009 23.0305 GPRESSURE: 1553400 150.26 -166.399 6.39342 -144.134 40.0905 173.937 21.2943 138.916 90.098 PRESSAVG: 1553400 1.25762 -32.9153 5.1455 -32.9154 36.4606 -27.04 5.14541 -27.04 -22.4457 GPRESSAVG: 1553400 0.730055 -31.3714 6.34863 -32.3698 35.8995 -25.0399 5.53912 -29.6059 -21.6463 TIMING: 1553400 CPU: 4504.08, 0.00291179/step Wall: 4504.08, 0.00291178/step, 2.78771 hours remaining, 209.671875 MB of memory in use. ENERGY: 1553400 767.1964 2008.0129 1985.0357 108.9862 -206758.4247 17935.1926 0.0000 0.0000 34380.5804 -149573.4204 300.2542 -183954.0008 -149476.9613 298.6354 62.4442 93.4830 557188.3578 5.0908 4.9944 PRESSURE: 1553600 276.878 -67.3478 -59.3726 -67.3473 158.949 121.991 -59.3717 121.99 -57.8372 GPRESSURE: 1553600 282.543 -37.6894 -46.1922 -124.545 237.138 239.829 -57.9743 98.9951 -42.5765 PRESSAVG: 1553600 35.0245 72.9743 -50.5751 72.9743 14.1713 35.8505 -50.5751 35.8506 -24.0884 GPRESSAVG: 1553600 34.6258 71.9156 -52.3936 70.6593 14.4643 33.5805 -49.3821 38.576 -24.5434 TIMING: 1553600 CPU: 4504.67, 0.00293764/step Wall: 4504.67, 0.00293764/step, 2.8123 hours remaining, 209.925781 MB of memory in use. ENERGY: 1553600 762.8957 2100.2323 1938.9932 105.2715 -206724.8100 18216.8213 0.0000 0.0000 34106.9339 -149493.6622 297.8643 -183600.5961 -149399.2747 299.1431 125.9965 159.0348 558813.9456 8.3691 8.1822 PRESSURE: 1553800 -36.7121 19.2671 -44.616 19.2681 307.887 85.0526 -44.6156 85.0527 155.438 GPRESSURE: 1553800 2.18365 14.9108 -56.0587 108.338 329.925 32.8489 19.6715 48.5937 189.399 PRESSAVG: 1553800 -58.1283 24.8194 17.0087 24.8194 25.0401 -39.8346 17.0087 -39.8345 6.90153 GPRESSAVG: 1553800 -57.1465 25.1663 17.9477 24.7614 24.4175 -37.508 15.894 -39.9055 6.20377 TIMING: 1553800 CPU: 4505.25, 0.00292719/step Wall: 4505.25, 0.00292719/step, 2.80214 hours remaining, 209.925781 MB of memory in use. ENERGY: 1553800 800.5695 2107.6442 1953.3438 109.8589 -206579.8674 18165.1127 0.0000 0.0000 34015.2777 -149428.0607 297.0639 -183443.3384 -149338.6785 298.9441 142.2042 173.8361 556728.2654 -8.7289 -8.8417 PRESSURE: 1554000 -58.6282 88.6078 -75.9792 88.6077 -266.546 -54.2506 -75.9788 -54.2523 -81.1084 GPRESSURE: 1554000 0.870758 40.3924 -25.1795 138.978 -185.068 -54.2384 -85.6531 -13.6299 -122.998 PRESSAVG: 1554000 -39.3243 56.1453 1.94985 56.1454 -1.20703 17.6188 1.94978 17.6187 72.2529 GPRESSAVG: 1554000 -39.8129 54.8854 0.722967 59.3249 -0.939894 13.9236 1.5604 17.685 72.3322 TIMING: 1554000 CPU: 4505.84, 0.00291035/step Wall: 4505.84, 0.00291035/step, 2.78585 hours remaining, 209.925781 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: 1554000 766.8153 2026.5626 1960.6063 110.7100 -206188.0255 17640.3876 0.0000 0.0000 34399.3280 -149283.6157 300.4179 -183682.9437 -149186.3842 298.4591 -135.4277 -102.3984 557021.8373 10.5739 10.5264 PRESSURE: 1554200 -298.192 -5.16117 -71.8007 -5.16212 -132.442 148.063 -71.7997 148.064 -54.4959 GPRESSURE: 1554200 -228.792 -32.0137 -84.1177 -7.77768 -127.231 162.157 -43.7602 172.343 -40.8024 PRESSAVG: 1554200 -43.8943 12.1213 -42.586 12.1213 -1.81246 12.0654 -42.5859 12.0654 43.8456 GPRESSAVG: 1554200 -43.1909 11.4163 -42.4039 10.7543 -2.20005 14.2154 -42.2509 13.1703 43.4561 TIMING: 1554200 CPU: 4506.42, 0.00292346/step Wall: 4506.42, 0.00292346/step, 2.79824 hours remaining, 209.925781 MB of memory in use. ENERGY: 1554200 754.6025 2108.6510 1906.4543 118.5301 -206246.6757 17718.0967 0.0000 0.0000 34289.4324 -149350.9087 299.4581 -183640.3411 -149256.8376 298.9622 -161.7103 -132.2751 558065.9354 -0.6204 -0.6450 PRESSURE: 1554400 -151.127 -40.2992 50.0002 -40.2992 -280.518 133.411 50.0005 133.41 116.265 GPRESSURE: 1554400 -43.5559 -118.084 104.919 -56.9532 -256.311 113.871 30.7324 184.582 78.7808 PRESSAVG: 1554400 -19.1036 15.1872 -22.5638 15.1872 -36.8311 -1.45145 -22.5638 -1.45147 47.6133 GPRESSAVG: 1554400 -18.5945 16.0294 -20.8477 15.395 -37.5315 -0.261037 -21.462 -5.47506 47.7423 TIMING: 1554400 CPU: 4507, 0.00290746/step Wall: 4507, 0.00290746/step, 2.78276 hours remaining, 209.925781 MB of memory in use. ENERGY: 1554400 727.2002 2083.9785 1928.8421 113.5699 -206361.5815 17705.6733 0.0000 0.0000 34194.9250 -149607.3924 298.6328 -183802.3174 -149509.1352 298.9991 -105.1266 -73.6954 556880.6791 -2.7738 -2.7945 PRESSURE: 1554600 -167.585 -81.8935 97.3502 -81.8928 6.85819 -115.651 97.3515 -115.65 188.597 GPRESSURE: 1554600 -79.7008 -21.9662 151.554 -108.747 18.799 -101.337 101.602 -71.9881 180.74 PRESSAVG: 1554600 -28.1981 31.6184 48.8998 31.6183 39.7251 11.319 48.8997 11.3191 44.1447 GPRESSAVG: 1554600 -29.5673 30.4757 48.8444 32.9376 40.3107 10.9241 47.5697 13.586 44.7276 TIMING: 1554600 CPU: 4507.59, 0.00292017/step Wall: 4507.59, 0.00292017/step, 2.79476 hours remaining, 209.925781 MB of memory in use. ENERGY: 1554600 778.6895 2101.7383 1951.2098 113.0002 -206470.1713 17873.2946 0.0000 0.0000 33981.3643 -149670.8745 296.7677 -183652.2388 -149573.7730 298.2074 9.2899 39.9460 557412.3204 18.5572 18.4903 PRESSURE: 1554800 228.684 111.178 -98.2381 111.179 -63.8386 103.621 -98.2381 103.621 85.7767 GPRESSURE: 1554800 241.839 136.104 -66.6677 28.8037 53.7304 188.793 -151.308 118.382 59.837 PRESSAVG: 1554800 -1.48719 42.7021 24.9233 42.7023 47.5921 -7.37276 24.9234 -7.37273 -44.0419 GPRESSAVG: 1554800 -0.855001 44.3279 24.3661 39.6054 47.7921 -7.74618 25.6197 -6.95503 -44.3369 TIMING: 1554800 CPU: 4508.17, 0.0029051/step Wall: 4508.17, 0.0029051/step, 2.78018 hours remaining, 209.925781 MB of memory in use. ENERGY: 1554800 718.2796 2070.4536 1936.2618 119.4668 -206843.6624 18056.7409 0.0000 0.0000 34306.5008 -149635.9588 299.6072 -183942.4596 -149537.2039 298.0017 83.5408 118.4688 556639.4125 0.6877 0.8667 PRESSURE: 1555000 345.596 164.102 82.7946 164.104 73.8245 -174.051 82.7954 -174.051 162.449 GPRESSURE: 1555000 308.42 155.512 136.935 224.431 147.117 -161.082 60.7943 -143.658 228.865 PRESSAVG: 1555000 41.6921 45.2027 50.1044 45.2027 -55.0802 57.377 50.1044 57.3771 -23.6935 GPRESSAVG: 1555000 39.9253 43.5449 48.6409 47.4833 -54.7687 57.8265 47.9289 55.6748 -22.395 TIMING: 1555000 CPU: 4508.75, 0.00293098/step Wall: 4508.75, 0.00293098/step, 2.80479 hours remaining, 209.925781 MB of memory in use. ENERGY: 1555000 720.4567 2156.3437 1923.5401 103.6123 -206682.2842 18159.7954 0.0000 0.0000 34122.5268 -149496.0092 298.0005 -183618.5360 -149407.2799 298.6275 193.9565 228.1339 555980.1298 -12.3605 -12.4128 PRESSURE: 1555200 -71.8564 -51.7533 -3.40398 -51.7537 -75.5191 106.394 -3.40373 106.395 1.00615 GPRESSURE: 1555200 -5.2672 -104.223 7.88748 -87.9941 -42.637 59.6743 -11.4129 164.99 -8.54462 PRESSAVG: 1555200 25.2439 37.0203 33.6732 37.0203 36.4125 44.2683 33.6732 44.2684 -40.8766 GPRESSAVG: 1555200 26.3149 39.2448 33.8916 33.5816 36.5762 44.0356 35.7494 44.1254 -42.0182 TIMING: 1555200 CPU: 4509.34, 0.0029257/step Wall: 4509.34, 0.0029257/step, 2.79957 hours remaining, 209.925781 MB of memory in use. ENERGY: 1555200 738.4007 2132.4402 1930.7729 121.1980 -206435.6060 17810.5466 0.0000 0.0000 34230.2449 -149472.0027 298.9412 -183702.2476 -149374.9400 298.5076 -48.7898 -18.8163 557315.8832 6.9266 6.9576 PRESSURE: 1555400 -104.871 11.0938 -18.011 11.0925 -187.284 111.527 -18.0087 111.528 -114.252 GPRESSURE: 1555400 -24.532 93.7124 -36.8125 -25.9863 -201.095 106.728 81.9748 212.744 -85.2208 PRESSAVG: 1555400 -30.0882 -2.11063 25.6534 -2.11048 18.103 30.209 25.6533 30.209 -1.25156 GPRESSAVG: 1555400 -30.0097 -3.83538 26.9637 0.871645 17.2354 28.9639 25.7982 30.4688 -0.594944 TIMING: 1555400 CPU: 4509.92, 0.00292829/step Wall: 4509.92, 0.00292829/step, 2.80189 hours remaining, 209.925781 MB of memory in use. ENERGY: 1555400 775.6484 2125.3503 1952.1328 125.4753 -206415.9947 17734.8424 0.0000 0.0000 34172.6331 -149529.9125 298.4381 -183702.5456 -149436.4164 299.0286 -135.4688 -103.6159 558727.6055 -4.4122 -4.4564 PRESSURE: 1555600 -107.594 57.9624 -24.1523 57.9633 9.66734 -76.1613 -24.1517 -76.1606 169.323 GPRESSURE: 1555600 -102.366 45.3885 -46.518 100.499 65.4672 -16.7722 -54.6602 -29.1712 207.306 PRESSAVG: 1555600 -45.781 -7.40802 -22.6283 -7.40796 2.82449 13.4957 -22.6284 13.4956 13.8615 GPRESSAVG: 1555600 -46.147 -8.18383 -23.887 -6.18537 4.08281 14.9592 -22.7402 12.1777 13.1143 TIMING: 1555600 CPU: 4510.5, 0.00289968/step Wall: 4510.5, 0.00289968/step, 2.77435 hours remaining, 209.925781 MB of memory in use. ENERGY: 1555600 761.5912 2111.6402 1924.3167 107.2536 -206645.6197 18043.8491 0.0000 0.0000 34174.4471 -149522.5218 298.4539 -183696.9688 -149423.0825 298.3160 23.7988 56.8022 557220.5123 -9.6984 -9.6500 PRESSURE: 1555800 -172.17 77.5193 178.76 77.5209 -48.3134 178.557 178.761 178.557 -404.321 GPRESSURE: 1555800 -91.0341 98.8132 210.556 103.788 -42.5545 99.0998 113.413 282.666 -403.059 PRESSAVG: 1555800 -32.1181 -22.6985 -47.7517 -22.6985 31.2239 8.61426 -47.7516 8.61427 10.7534 GPRESSAVG: 1555800 -33.0968 -21.3708 -45.6851 -22.3718 30.8935 6.18557 -47.9445 11.2185 11.5985 TIMING: 1555800 CPU: 4511.09, 0.00292313/step Wall: 4511.09, 0.00292313/step, 2.79662 hours remaining, 209.925781 MB of memory in use. ENERGY: 1555800 786.2181 2117.9632 1923.5388 111.1388 -205875.4128 17443.7387 0.0000 0.0000 34158.5652 -149334.2501 298.3152 -183492.8153 -149237.2412 298.9553 -208.2684 -178.8827 558194.0826 3.2864 3.1318 PRESSURE: 1556000 -48.9745 30.9514 -42.9041 30.9515 34.3439 -146.395 -42.9046 -146.395 -83.1143 GPRESSURE: 1556000 -27.0434 36.6716 -76.2779 47.3185 76.5412 -40.4471 -55.9097 -203.162 -58.5195 PRESSAVG: 1556000 20.6586 -35.5614 22.6922 -35.5615 22.3985 4.92332 22.6921 4.92338 -2.4032 GPRESSAVG: 1556000 21.5933 -33.518 21.2856 -36.9648 21.3278 7.11102 23.5601 2.90776 -2.04512 TIMING: 1556000 CPU: 4511.68, 0.00294423/step Wall: 4511.68, 0.00294423/step, 2.81665 hours remaining, 209.925781 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: 1556000 738.5592 2163.3783 1924.6241 103.7277 -206210.2916 17755.5973 0.0000 0.0000 34276.9300 -149247.4749 299.3490 -183524.4050 -149154.8245 299.1754 -32.5816 -3.0073 556736.1820 13.5513 13.6253 PRESSURE: 1556200 158.031 39.9922 -79.1971 39.9911 321.204 -203.061 -79.1964 -203.061 333.841 GPRESSURE: 1556200 199.983 41.6479 -189.612 22.8856 342.51 -222.632 -37.108 -183.088 377.02 PRESSAVG: 1556200 41.8543 -1.24595 -47.678 -1.2459 -4.17973 -33.2253 -47.6782 -33.2253 -59.1244 GPRESSAVG: 1556200 42.6994 -3.56231 -47.5273 -1.98713 -4.20406 -36.4966 -49.4858 -30.954 -59.3991 TIMING: 1556200 CPU: 4512.27, 0.00294496/step Wall: 4512.27, 0.00294496/step, 2.81718 hours remaining, 209.925781 MB of memory in use. ENERGY: 1556200 735.7310 2103.5074 1946.2959 122.8318 -206362.8463 18212.3595 0.0000 0.0000 34174.4687 -149067.6520 298.4541 -183242.1207 -148977.4868 299.6501 271.0256 306.5041 557846.6714 -7.1499 -6.9679 LDB: ============= START OF LOAD BALANCING ============== 4515.66 LDB: ============== END OF LOAD BALANCING =============== 4515.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4515.66 LDB: ============= START OF LOAD BALANCING ============== 4515.96 LDB: Largest compute 4792 load 0.024420 is 20.7% of average load 0.118042 LDB: Average compute 0.001705 is 1.4% of average load 0.118042 LDB: TIME 4515.96 LOAD: AVG 0.118042 MAX 0.184093 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.895 MB LDB: TIME 4515.96 LOAD: AVG 0.118042 MAX 0.184093 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.895 MB LDB: TIME 4515.96 LOAD: AVG 0.118042 MAX 0.184093 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4515.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4515.97 PRESSURE: 1556400 23.2135 3.14554 -129.022 3.14445 112.297 42.9753 -129.024 42.9736 -89.5937 GPRESSURE: 1556400 32.6152 -56.1854 -128.39 -56.0626 166.853 111.226 -83.2454 17.4237 -64.6765 PRESSAVG: 1556400 -7.57331 -9.21981 12.0042 -9.21973 17.3872 22.616 12.0042 22.6161 -37.9404 GPRESSAVG: 1556400 -7.24006 -8.82207 11.1769 -9.81581 17.6552 23.9873 13.9726 21.2686 -38.9577 TIMING: 1556400 CPU: 4512.87, 0.00301671/step Wall: 4512.87, 0.00301671/step, 2.88565 hours remaining, 208.613281 MB of memory in use. ENERGY: 1556400 767.3380 2123.7486 1940.5603 128.5580 -206279.6544 17672.3439 0.0000 0.0000 34390.1529 -149256.9528 300.3378 -183647.1057 -149158.2007 299.9428 15.3058 44.9305 556554.6317 -9.3755 -9.5142 PRESSURE: 1556600 3.98288 268.334 -39.4401 268.334 -68.4138 219.376 -39.4406 219.377 43.1638 GPRESSURE: 1556600 90.0682 243.01 -31.9804 286.387 -82.6124 219.502 -21.806 146.759 62.9016 PRESSAVG: 1556600 51.1927 -23.4269 -83.1853 -23.4268 -7.39456 16.6258 -83.1852 16.6258 -49.071 GPRESSAVG: 1556600 51.781 -25.29 -82.6766 -22.3717 -6.76116 16.8874 -83.7519 17.1116 -50.175 TIMING: 1556600 CPU: 4513.46, 0.0029235/step Wall: 4513.46, 0.0029235/step, 2.79633 hours remaining, 208.812500 MB of memory in use. ENERGY: 1556600 732.8737 2064.8768 1969.2213 114.1707 -206374.9662 17769.1209 0.0000 0.0000 34323.3433 -149401.3594 299.7543 -183724.7027 -149306.0604 298.5647 -7.0890 23.4525 557198.8358 -1.7576 -1.7184 PRESSURE: 1556800 -77.8186 7.6622 98.6321 7.66197 84.8897 83.2428 98.6329 83.2427 144.895 GPRESSURE: 1556800 -15.5611 94.4903 93.3285 -45.9061 50.3878 84.0413 130.531 83.808 222.964 PRESSAVG: 1556800 50.6916 21.2489 -47.4266 21.2488 12.3841 3.61292 -47.4265 3.61291 -53.2563 GPRESSAVG: 1556800 49.9544 21.5438 -48.4423 20.8018 11.842 3.62474 -48.0166 3.0117 -51.89 TIMING: 1556800 CPU: 4514.04, 0.00290067/step Wall: 4514.04, 0.00290067/step, 2.77433 hours remaining, 208.812500 MB of memory in use. ENERGY: 1556800 744.5473 2067.5400 1965.9807 106.0304 -206626.2216 18022.3949 0.0000 0.0000 34488.4023 -149231.3261 301.1958 -183719.7284 -149133.8927 299.4933 50.6555 85.9303 555906.0254 3.2732 3.3021 PRESSURE: 1557000 -60.991 64.2698 25.9126 64.2702 -80.5531 5.72836 25.9132 5.72743 -207.906 GPRESSURE: 1557000 -66.6924 124.005 43.75 36.6868 -34.0763 -39.2211 73.6191 37.8639 -155.647 PRESSAVG: 1557000 23.3514 14.7716 84.479 14.7717 -15.178 36.0625 84.479 36.0627 -17.9118 GPRESSAVG: 1557000 23.4376 17.0272 83.6128 12.6266 -14.5772 34.7648 85.1091 37.2841 -18.318 TIMING: 1557000 CPU: 4514.61, 0.00289509/step Wall: 4514.61, 0.00289509/step, 2.76884 hours remaining, 208.812500 MB of memory in use. ENERGY: 1557000 749.4572 2096.6389 1957.8367 116.7715 -205890.5259 17587.3376 0.0000 0.0000 34236.2833 -149146.2008 298.9940 -183382.4840 -149048.8359 299.2422 -116.4833 -85.4719 557201.6819 -3.2461 -3.1526 PRESSURE: 1557200 -153.535 54.9677 -54.5876 54.9675 -94.2772 99.814 -54.5882 99.8155 -142.874 GPRESSURE: 1557200 -101.131 122.026 -148.605 31.8495 -39.5541 113.875 -12.9242 17.675 -159.927 PRESSAVG: 1557200 8.00622 70.9527 2.11419 70.9527 25.1074 25.5118 2.11429 25.5118 -14.7408 GPRESSAVG: 1557200 7.07732 68.8675 5.65701 74.4306 25.8112 27.0708 -0.404533 25.7278 -14.8086 TIMING: 1557200 CPU: 4515.2, 0.00290798/step Wall: 4515.2, 0.00290798/step, 2.78099 hours remaining, 208.812500 MB of memory in use. ENERGY: 1557200 729.0400 2093.7516 1950.0884 118.6721 -206006.8035 17719.1090 0.0000 0.0000 34231.3387 -149164.8037 298.9508 -183396.1424 -149064.4481 300.1361 -130.2287 -100.2040 557013.2748 6.1243 6.0266 PRESSURE: 1557400 102.575 22.4339 49.5209 22.4341 -129.227 -71.949 49.5203 -71.9488 -47.9132 GPRESSURE: 1557400 124.031 -37.9709 76.1759 59.7804 -47.0456 -99.6101 67.2137 -81.1816 -35.8018 PRESSAVG: 1557400 28.8348 -37.5886 -43.1626 -37.5887 -15.2728 19.5601 -43.1625 19.5602 0.0635702 GPRESSAVG: 1557400 29.8392 -35.6041 -45.2712 -37.887 -16.5765 18.414 -40.9214 18.2495 0.610179 TIMING: 1557400 CPU: 4515.78, 0.00292075/step Wall: 4515.78, 0.00292075/step, 2.79305 hours remaining, 208.812500 MB of memory in use. ENERGY: 1557400 729.1824 2042.2848 1932.9324 104.6364 -205937.0616 17716.7347 0.0000 0.0000 34107.7697 -149303.5212 297.8716 -183411.2909 -149203.9805 299.3708 -24.8551 13.7280 555728.5207 4.5419 4.6243 PRESSURE: 1557600 -281.61 1.73114 -73.6073 1.73163 96.2307 -65.1964 -73.6084 -65.1976 -226.226 GPRESSURE: 1557600 -309.465 -30.1891 4.67019 -85.1667 177.769 -92.1846 -166.809 -95.0117 -174.784 PRESSAVG: 1557600 -32.8443 -41.9597 60.8845 -41.9597 -3.02156 -14.5817 60.8845 -14.5817 -18.2106 GPRESSAVG: 1557600 -33.3189 -42.4587 62.3753 -43.0234 -2.13824 -15.3436 58.797 -14.8489 -18.6487 TIMING: 1557600 CPU: 4516.36, 0.00290631/step Wall: 4516.36, 0.00290631/step, 2.77908 hours remaining, 208.812500 MB of memory in use. ENERGY: 1557600 735.8298 2131.7598 1949.9990 121.8720 -205727.1907 17587.2089 0.0000 0.0000 33914.9666 -149285.5545 296.1878 -183200.5211 -149193.3520 298.5788 -137.2018 -102.1598 556763.8289 -18.0255 -18.0353 PRESSURE: 1557800 127.91 -91.1718 82.8911 -91.1725 -92.9075 63.2139 82.891 63.2132 129.211 GPRESSURE: 1557800 149.802 -103.031 106.996 -39.2115 -56.7624 84.9182 -17.7293 73.4299 173.559 PRESSAVG: 1557800 8.64594 3.37363 -6.90853 3.37362 -3.49778 -26.9539 -6.90856 -26.9539 -26.5299 GPRESSAVG: 1557800 9.54026 2.97368 -6.86278 3.1498 -3.15769 -26.0911 -6.54942 -27.316 -27.8692 TIMING: 1557800 CPU: 4516.94, 0.00289129/step Wall: 4516.94, 0.00289129/step, 2.76456 hours remaining, 208.812500 MB of memory in use. ENERGY: 1557800 743.9775 2078.6379 1953.7439 112.5572 -206019.7190 17742.7130 0.0000 0.0000 34271.1986 -149116.8910 299.2989 -183388.0895 -149020.0182 298.2181 54.7377 88.8662 555941.4085 -7.1272 -7.1622 PRESSURE: 1558000 -54.6244 140.549 -46.4298 140.548 22.9328 2.1115 -46.4306 2.1121 114.016 GPRESSURE: 1558000 -17.2887 155.421 -51.9238 95.3544 1.75564 -127.344 -50.0832 -13.0856 193.203 PRESSAVG: 1558000 -8.45947 -12.8781 18.1301 -12.8781 3.1561 60.8423 18.1301 60.8423 13.8069 GPRESSAVG: 1558000 -9.07832 -14.087 17.0013 -10.8623 3.22079 61.6097 19.7929 59.9539 14.8068 TIMING: 1558000 CPU: 4517.52, 0.00290377/step Wall: 4517.52, 0.00290377/step, 2.77632 hours remaining, 208.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1558000 754.8023 2097.5361 1960.6663 108.0133 -206048.7755 17768.3462 0.0000 0.0000 34344.1179 -149015.2934 299.9357 -183359.4113 -148913.2600 299.7313 27.4414 59.2234 556503.7128 2.8345 2.9831 PRESSURE: 1558200 145.559 14.673 68.2422 14.6723 -10.7887 29.323 68.2427 29.323 112.397 GPRESSURE: 1558200 171.149 17.7604 30.6364 12.2525 37.2445 77.7375 92.1417 -25.2654 129.991 PRESSAVG: 1558200 3.10441 -37.2139 -12.403 -37.214 19.735 -16.6247 -12.403 -16.6248 -36.1115 GPRESSAVG: 1558200 3.28059 -37.941 -12.6395 -36.8169 19.2458 -16.5676 -13.4675 -18.0755 -35.4625 TIMING: 1558200 CPU: 4518.1, 0.00290385/step Wall: 4518.1, 0.00290385/step, 2.77624 hours remaining, 208.812500 MB of memory in use. ENERGY: 1558200 723.0742 2085.1761 1949.6353 116.5195 -206367.8687 18044.4522 0.0000 0.0000 34338.6736 -149110.3379 299.8882 -183449.0115 -149019.8242 299.6019 82.3889 112.7948 557106.8249 -4.4240 -4.3120 PRESSURE: 1558400 23.795 -168.19 -11.6984 -168.191 -69.4065 17.8619 -11.6993 17.8633 -416.335 GPRESSURE: 1558400 45.0477 -174.8 -65.8728 -144.07 -7.44111 42.0111 12.1611 -32.8172 -400.72 PRESSAVG: 1558400 44.6162 11.6451 -37.0402 11.6451 31.9098 21.937 -37.0402 21.937 -69.3083 GPRESSAVG: 1558400 44.1167 11.0672 -35.7154 11.1643 32.5813 20.2727 -36.9491 25.207 -69.8321 TIMING: 1558400 CPU: 4518.68, 0.00291107/step Wall: 4518.68, 0.00291107/step, 2.78298 hours remaining, 208.812500 MB of memory in use. ENERGY: 1558400 739.4089 2111.0797 1940.4877 104.2662 -205677.9932 17479.0073 0.0000 0.0000 34283.3409 -149020.4026 299.4049 -183303.7434 -148925.9873 299.6565 -153.9821 -121.0378 556872.3583 2.4059 2.2886 PRESSURE: 1558600 -347.409 106.09 -169.528 106.089 102.889 13.1333 -169.528 13.1313 179.986 GPRESSURE: 1558600 -313.966 75.1715 -198.289 138.316 94.9068 24.4 -132.683 -27.1472 242.154 PRESSAVG: 1558600 -2.77465 -90.3547 -20.4617 -90.3547 17.7687 55.4196 -20.4617 55.4196 7.57584 GPRESSAVG: 1558600 -2.59415 -91.3924 -21.2302 -91.0096 17.8002 57.0728 -22.1648 54.2661 7.45109 TIMING: 1558600 CPU: 4519.26, 0.00290465/step Wall: 4519.26, 0.00290465/step, 2.77668 hours remaining, 208.812500 MB of memory in use. ENERGY: 1558600 702.4029 2121.7378 1985.8475 122.4330 -205911.1159 17736.2948 0.0000 0.0000 34183.3969 -149059.0031 298.5321 -183242.3999 -148960.6491 299.0773 -21.5116 7.6984 558193.4093 7.5233 7.5524 PRESSURE: 1558800 -229.06 -146.505 -47.4736 -146.505 127.715 -58.7316 -47.4731 -58.7305 75.1194 GPRESSURE: 1558800 -134.062 -102.692 -89.5348 -200.928 92.2334 -149.219 47.011 -20.4353 110.524 PRESSAVG: 1558800 -39.797 6.73619 -20.6608 6.73619 24.1176 1.51377 -20.6608 1.51379 2.27001 GPRESSAVG: 1558800 -38.8106 9.48147 -20.9874 5.66617 23.8028 1.63452 -18.8387 1.19036 2.22846 TIMING: 1558800 CPU: 4519.85, 0.0029149/step Wall: 4519.85, 0.0029149/step, 2.78632 hours remaining, 208.812500 MB of memory in use. ENERGY: 1558800 730.5353 2144.4100 1904.0182 117.7512 -205879.8831 17598.3723 0.0000 0.0000 34213.3899 -149171.4061 298.7940 -183384.7960 -149078.6630 299.6292 -8.7419 22.8983 557114.9325 -4.4698 -4.2598 PRESSURE: 1559000 -132.338 62.9207 -139.405 62.9197 -171.371 144.021 -139.405 144.02 79.6717 GPRESSURE: 1559000 -52.6119 27.4232 -75.3183 22.139 -192.246 82.6901 -192.884 153.861 107.261 PRESSAVG: 1559000 -34.8476 14.6803 -52.4351 14.6803 22.6274 -18.286 -52.435 -18.2859 -8.57666 GPRESSAVG: 1559000 -35.7057 13.9111 -53.8671 14.6757 23.0153 -21.2254 -50.6545 -17.9247 -8.53489 TIMING: 1559000 CPU: 4520.43, 0.00291393/step Wall: 4520.43, 0.00291393/step, 2.78523 hours remaining, 208.812500 MB of memory in use. ENERGY: 1559000 754.6664 2141.4712 1951.5558 104.4444 -206372.2610 17812.6953 0.0000 0.0000 34365.0749 -149242.3530 300.1187 -183607.4278 -149143.4727 299.8747 -74.6792 -45.8655 557373.5672 -6.9323 -7.0751 PRESSURE: 1559200 -83.0604 -126.357 103.702 -126.357 -103.1 16.2501 103.703 16.2509 14.4852 GPRESSURE: 1559200 -73.2526 -137.972 165.901 -19.2735 -73.8415 37.4449 57.9324 -70.9841 72.2412 PRESSAVG: 1559200 -10.707 -21.44 -20.6699 -21.44 54.4696 29.8656 -20.67 29.8656 6.29607 GPRESSAVG: 1559200 -10.5086 -19.4277 -18.3011 -19.8374 54.932 31.4193 -23.5788 29.6345 5.8479 TIMING: 1559200 CPU: 4521.01, 0.00289294/step Wall: 4521.01, 0.00289294/step, 2.76501 hours remaining, 208.812500 MB of memory in use. ENERGY: 1559200 732.7132 2059.3674 1940.3122 110.5251 -206312.3786 17882.4904 0.0000 0.0000 34352.9716 -149233.9987 300.0130 -183586.9703 -149141.2328 299.1165 -57.2251 -24.9509 558611.2351 16.6862 16.7571 PRESSURE: 1559400 279.383 16.2714 43.2889 16.2698 -143.567 -78.2298 43.2902 -78.2283 146.797 GPRESSURE: 1559400 270.621 60.0514 154.186 -38.6748 -90.7697 -48.9066 -32.5 -163.389 196.392 PRESSAVG: 1559400 28.7447 -20.6721 -7.98076 -20.672 -55.0027 -8.75827 -7.9808 -8.75826 38.6865 GPRESSAVG: 1559400 28.2277 -22.8442 -9.77811 -22.0577 -54.1973 -8.0948 -6.59083 -9.71704 38.4655 TIMING: 1559400 CPU: 4521.59, 0.00290781/step Wall: 4521.59, 0.00290781/step, 2.77906 hours remaining, 208.812500 MB of memory in use. ENERGY: 1559400 739.9105 2073.5989 1915.6537 121.8564 -206234.6548 17872.3071 0.0000 0.0000 34303.1854 -149208.1428 299.5782 -183511.3282 -149107.2087 299.3428 94.2044 125.4143 558380.1432 4.1428 4.1653 PRESSURE: 1559600 -309.465 91.6941 -17.3009 91.6935 -32.414 -150.288 -17.3006 -150.289 43.5701 GPRESSURE: 1559600 -212.484 22.9674 -49.013 113.608 1.63264 -237.718 -8.79934 -89.4895 13.5645 PRESSAVG: 1559600 -16.7116 25.7621 -18.9515 25.7621 -26.2043 -15.3335 -18.9515 -15.3335 25.7655 GPRESSAVG: 1559600 -15.4909 26.1619 -18.5882 25.7023 -28.3 -15.3481 -18.5627 -14.5961 26.4652 TIMING: 1559600 CPU: 4522.17, 0.00291271/step Wall: 4522.17, 0.00291271/step, 2.78358 hours remaining, 208.812500 MB of memory in use. ENERGY: 1559600 743.2934 2057.7555 1969.5146 108.8830 -205739.4061 17497.0613 0.0000 0.0000 34331.4215 -149031.4768 299.8248 -183362.8983 -148934.2934 299.6940 -99.4362 -65.7622 556955.0689 -5.7168 -5.7752 PRESSURE: 1559800 478.103 54.9777 5.31306 54.9777 188.931 23.2931 5.31302 23.2939 217.477 GPRESSURE: 1559800 475.338 -18.0169 35.7549 42.2459 223.014 -18.0659 -4.18293 27.2724 273.116 PRESSAVG: 1559800 -5.03716 61.3964 21.4472 61.3964 32.893 -37.2184 21.4471 -37.2183 -24.0812 GPRESSAVG: 1559800 -6.01844 60.4969 21.8095 62.3366 33.2248 -37.5314 20.8319 -38.1335 -22.9933 TIMING: 1559800 CPU: 4522.76, 0.0029131/step Wall: 4522.76, 0.0029131/step, 2.78379 hours remaining, 208.812500 MB of memory in use. ENERGY: 1559800 787.1372 2109.2059 1921.7670 131.7500 -206760.1404 18296.5894 0.0000 0.0000 34518.2563 -148995.4347 301.4565 -183513.6910 -148902.0789 300.4927 294.8368 323.8224 556599.9864 1.2582 1.4043 PRESSURE: 1560000 -258.022 16.979 -98.2822 16.9806 -321.089 -6.02427 -98.2829 -6.02339 -384.172 GPRESSURE: 1560000 -245.458 -40.3827 -59.5351 74.6216 -221.855 -37.9144 -161.904 -26.1746 -383.176 PRESSAVG: 1560000 39.7399 38.7578 -35.4706 38.7579 -31.3043 -41.4018 -35.4706 -41.4017 13.2784 GPRESSAVG: 1560000 38.5057 40.2615 -34.1714 38.9665 -30.0721 -42.1087 -34.7145 -39.8496 13.6053 TIMING: 1560000 CPU: 4523.34, 0.00291202/step Wall: 4523.34, 0.00291202/step, 2.7826 hours remaining, 208.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1560000 742.1251 2099.5743 1942.5414 119.2011 -205897.5853 17454.6599 0.0000 0.0000 34300.4720 -149239.0115 299.5546 -183539.4835 -149141.5045 299.4622 -321.0945 -283.4961 558090.5710 7.2380 7.3463 PRESSURE: 1560200 39.608 85.6496 126.024 85.6487 85.5508 -9.96368 126.022 -9.96463 -12.7651 GPRESSURE: 1560200 125.851 96.0051 166.14 60.6233 79.3371 -31.926 120.539 54.9596 13.5482 PRESSAVG: 1560200 -38.3156 -22.2732 8.60852 -22.2732 84.0875 33.7623 8.60853 33.7622 -44.0091 GPRESSAVG: 1560200 -35.9862 -21.0649 7.60282 -24.0357 82.4063 34.2438 8.74078 33.0379 -44.5952 TIMING: 1560200 CPU: 4523.92, 0.0029092/step Wall: 4523.92, 0.0029092/step, 2.77974 hours remaining, 208.812500 MB of memory in use. ENERGY: 1560200 713.8590 2051.3710 1941.8127 120.7655 -206120.0033 17900.0300 0.0000 0.0000 34026.4688 -149365.6963 297.1616 -183392.1651 -149267.1860 298.9114 37.4646 72.9121 556669.5954 0.5876 0.6083 LDB: ============= START OF LOAD BALANCING ============== 4527.3 LDB: ============== END OF LOAD BALANCING =============== 4527.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4527.3 LDB: ============= START OF LOAD BALANCING ============== 4527.6 LDB: Largest compute 4792 load 0.023764 is 20.1% of average load 0.118057 LDB: Average compute 0.001704 is 1.4% of average load 0.118057 LDB: TIME 4527.6 LOAD: AVG 0.118057 MAX 0.185193 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 4527.6 LOAD: AVG 0.118057 MAX 0.185193 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.07 MB LDB: TIME 4527.6 LOAD: AVG 0.118057 MAX 0.185193 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.07 MB LDB: ============== END OF LOAD BALANCING =============== 4527.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4527.61 PRESSURE: 1560400 321.881 -128.234 -90.2348 -128.234 229.068 -77.835 -90.2344 -77.835 104.972 GPRESSURE: 1560400 383.419 -77.2703 -128.728 -188.12 307.009 -34.5234 -144.102 -29.7735 85.8445 PRESSAVG: 1560400 -60.9994 17.1803 -9.40461 17.1803 71.3573 35.5167 -9.4046 35.5167 -40.5761 GPRESSAVG: 1560400 -62.8279 14.0919 -10.0481 18.7371 73.4626 37.2546 -12.2186 35.8487 -40.9135 TIMING: 1560400 CPU: 4524.51, 0.00295261/step Wall: 4524.51, 0.00295261/step, 2.82105 hours remaining, 207.347656 MB of memory in use. ENERGY: 1560400 772.0401 2102.8804 1933.3903 114.4200 -206402.3052 18086.3133 0.0000 0.0000 34347.3861 -149045.8751 299.9643 -183393.2612 -148957.5471 299.0112 218.6403 258.7577 555517.2421 -10.0727 -10.0930 PRESSURE: 1560600 -211.139 19.9887 -104.816 19.9887 -188.548 -2.82397 -104.816 -2.82461 -143.608 GPRESSURE: 1560600 -175.357 28.5879 -145.193 27.6206 -150.139 27.5984 -57.3173 5.61239 -108.561 PRESSAVG: 1560600 35.538 27.6059 -31.3078 27.606 27.9639 6.07574 -31.3076 6.07577 -31.467 GPRESSAVG: 1560600 36.9389 28.3816 -30.728 25.7707 27.2124 5.43141 -28.8162 5.0478 -31.701 TIMING: 1560600 CPU: 4525.09, 0.00289651/step Wall: 4525.09, 0.00289651/step, 2.76729 hours remaining, 207.347656 MB of memory in use. ENERGY: 1560600 731.7768 2111.4991 1967.2998 111.9289 -205819.3017 17537.7241 0.0000 0.0000 34495.1449 -148863.9282 301.2547 -183359.0731 -148764.8885 300.5973 -181.0984 -144.6856 558723.9522 10.6783 10.8168 PRESSURE: 1560800 -57.3361 64.4645 -127.15 64.4652 -118.737 103.348 -127.151 103.348 -160.817 GPRESSURE: 1560800 27.2896 42.6467 -86.8103 68.6405 -164.616 137.379 -169.317 152.783 -108.478 PRESSAVG: 1560800 -6.64399 -14.5783 -38.0879 -14.5783 26.6283 6.87826 -38.0879 6.87824 -46.5354 GPRESSAVG: 1560800 -7.60219 -15.514 -40.2119 -11.7377 26.14 7.9072 -38.4953 6.79871 -45.5334 TIMING: 1560800 CPU: 4525.67, 0.0029044/step Wall: 4525.67, 0.0029044/step, 2.77467 hours remaining, 207.347656 MB of memory in use. ENERGY: 1560800 734.7259 2093.6205 1945.1613 109.1666 -205500.5146 17474.5018 0.0000 0.0000 34198.2459 -148945.0927 298.6618 -183143.3386 -148852.0487 300.0553 -112.2966 -81.9345 558523.0916 -8.8504 -8.9985 PRESSURE: 1561000 84.9258 68.0247 32.567 68.0255 273.982 -105.588 32.5662 -105.59 210.836 GPRESSURE: 1561000 172.153 109.857 86.4638 -6.10926 233.574 -115.263 58.9536 33.3479 259.981 PRESSAVG: 1561000 -25.3307 -47.136 7.84509 -47.136 59.583 -6.53745 7.84506 -6.53744 -46.1113 GPRESSAVG: 1561000 -24.834 -43.8767 7.29389 -50.0798 59 -6.87829 8.45589 -5.90392 -46.5491 TIMING: 1561000 CPU: 4526.26, 0.00292651/step Wall: 4526.26, 0.00292651/step, 2.79563 hours remaining, 207.347656 MB of memory in use. ENERGY: 1561000 680.9500 2057.8931 1959.5320 119.3185 -206173.6969 17892.0881 0.0000 0.0000 34371.3968 -149092.5184 300.1740 -183463.9153 -148997.3271 299.6235 189.9146 221.9024 555786.5712 -3.9530 -4.1277 PRESSURE: 1561200 -115.851 101.694 -98.8437 101.696 69.277 -59.0132 -98.844 -59.014 -30.3743 GPRESSURE: 1561200 -119.809 134.554 -189.804 -35.34 115.617 -57.8085 -57.7175 11.8032 19.7867 PRESSAVG: 1561200 -74.0084 52.2202 16.8568 52.2201 45.0846 6.08569 16.8567 6.08571 6.46091 GPRESSAVG: 1561200 -73.9568 54.5169 17.8198 50.1206 45.6963 6.37322 16.5656 5.6355 5.93056 TIMING: 1561200 CPU: 4526.83, 0.00289653/step Wall: 4526.83, 0.00289653/step, 2.76683 hours remaining, 207.347656 MB of memory in use. ENERGY: 1561200 736.9589 2106.9372 1963.9157 111.5861 -206275.7087 17985.9542 0.0000 0.0000 34347.1081 -149023.2486 299.9618 -183370.3567 -148935.1139 300.5711 -25.6493 5.1985 558386.5527 -7.4876 -7.4433 PRESSURE: 1561400 104.378 -21.2933 -26.5744 -21.294 218.367 -8.34918 -26.5744 -8.34688 253.81 GPRESSURE: 1561400 140.799 -88.495 27.5734 66.3045 281.216 19.6887 -73.6427 -6.15711 261.697 PRESSAVG: 1561400 12.0481 -44.6651 50.1881 -44.6651 36.3049 20.5148 50.188 20.5149 -42.5378 GPRESSAVG: 1561400 11.0222 -47.2388 50.6918 -42.4073 36.8557 20.379 50.1997 20.5526 -42.1145 TIMING: 1561400 CPU: 4527.42, 0.00290499/step Wall: 4527.42, 0.00290499/step, 2.77475 hours remaining, 207.347656 MB of memory in use. ENERGY: 1561400 761.1779 2103.6478 1965.3767 116.9094 -206307.2083 18027.8427 0.0000 0.0000 34316.6367 -149015.6170 299.6957 -183332.2537 -148917.5646 299.6716 192.1849 227.9039 557017.1180 1.9384 1.9211 PRESSURE: 1561600 -45.0588 -23.6248 30.9614 -23.625 -24.5628 -2.32686 30.961 -2.32709 -3.78293 GPRESSURE: 1561600 -21.7987 -50.3052 65.0873 -40.5471 -11.0171 -53.1702 -91.2504 -2.68599 64.5004 PRESSAVG: 1561600 6.44583 30.5106 -8.78474 30.5106 43.547 -6.23316 -8.78477 -6.23315 -43.4256 GPRESSAVG: 1561600 8.47794 30.8098 -7.30967 28.342 42.8779 -7.69202 -9.34321 -5.15305 -44.1337 TIMING: 1561600 CPU: 4528, 0.00289859/step Wall: 4528, 0.00289859/step, 2.76848 hours remaining, 207.347656 MB of memory in use. ENERGY: 1561600 772.0119 2147.2564 1979.8988 116.5966 -206437.1293 18062.6566 0.0000 0.0000 34296.7591 -149061.9499 299.5221 -183358.7090 -148965.6213 299.7688 -24.4682 10.5615 558260.3451 2.1891 2.4074 PRESSURE: 1561800 -106.827 105.731 64.5236 105.73 -26.337 -66.8854 64.5232 -66.8851 98.5277 GPRESSURE: 1561800 -23.711 0.711018 13.654 146.495 3.50796 -70.2627 142.97 26.2003 85.1232 PRESSAVG: 1561800 -6.96016 -0.931031 2.25758 -0.93105 30.1451 -53.2364 2.2576 -53.2365 -26.3933 GPRESSAVG: 1561800 -7.67727 -2.76459 3.26577 2.81834 29.2535 -51.6599 1.16135 -54.4409 -25.0282 TIMING: 1561800 CPU: 4528.58, 0.00290003/step Wall: 4528.58, 0.00290003/step, 2.76969 hours remaining, 207.347656 MB of memory in use. ENERGY: 1561800 742.6837 2117.5345 1948.0201 109.9976 -205758.1202 17763.2348 0.0000 0.0000 34043.7469 -149032.9026 297.3125 -183076.6495 -148935.6662 299.5861 -11.5453 21.6401 558585.1415 -1.0694 -1.1507 PRESSURE: 1562000 -194.416 158.215 -56.063 158.214 69.979 -87.2257 -56.0632 -87.2254 131.616 GPRESSURE: 1562000 -206.346 143.726 -89.735 140.17 118.025 -160.518 -116.978 -43.0012 189.073 PRESSAVG: 1562000 -48.9232 -20.2287 -12.1566 -20.2288 19.2202 -28.9043 -12.1565 -28.9044 50.1983 GPRESSAVG: 1562000 -50.2071 -17.968 -13.4548 -21.599 20.0899 -28.2709 -11.0188 -29.2908 50.1544 TIMING: 1562000 CPU: 4529.15, 0.00287554/step Wall: 4529.15, 0.00287554/step, 2.74614 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1562000 749.0042 2105.3689 1936.7662 109.1394 -206014.9149 17818.7360 0.0000 0.0000 34414.0377 -148881.8624 300.5464 -183295.9001 -148783.2907 299.7308 2.3929 33.5842 558248.7875 6.8318 6.6791 PRESSURE: 1562200 -38.5033 -132.573 -28.9468 -132.573 -110.488 23.4595 -28.9478 23.4604 -151.82 GPRESSURE: 1562200 -50.6064 -129.53 -30.3487 -132.179 -54.8563 101.593 -75.5869 -102.409 -98.5041 PRESSAVG: 1562200 -37.9588 5.88715 18.4277 5.88699 -9.25899 12.3443 18.4276 12.3444 74.3207 GPRESSAVG: 1562200 -38.0744 3.73018 19.0782 7.25734 -9.64134 10.6597 18.5665 14.5496 75.0386 TIMING: 1562200 CPU: 4529.72, 0.00286778/step Wall: 4529.72, 0.00286778/step, 2.73857 hours remaining, 207.347656 MB of memory in use. ENERGY: 1562200 776.8418 2111.5877 1964.0286 111.1469 -205973.5454 17722.3463 0.0000 0.0000 34257.8081 -149029.7859 299.1820 -183287.5940 -148930.8062 300.3349 -100.2707 -67.9889 559292.3384 9.0343 9.1076 PRESSURE: 1562400 12.8743 101.234 -212.521 101.234 -22.0512 131.734 -212.521 131.734 -1.31037 GPRESSURE: 1562400 58.7073 176.036 -231.032 36.6369 19.0673 190.543 -208.679 139.74 8.39786 PRESSAVG: 1562400 -32.1223 18.6188 26.0032 18.6188 39.9444 -4.8061 26.0031 -4.80593 -15.5274 GPRESSAVG: 1562400 -30.646 18.484 26.4477 18.0925 39.6 -4.8098 23.424 -4.57195 -16.2331 TIMING: 1562400 CPU: 4530.3, 0.00287679/step Wall: 4530.3, 0.00287679/step, 2.74701 hours remaining, 207.347656 MB of memory in use. ENERGY: 1562400 713.2268 2125.7134 1945.6148 120.9581 -205844.8721 17627.5973 0.0000 0.0000 34292.8024 -149018.9593 299.4876 -183311.7617 -148923.0710 299.9653 -3.4958 28.7241 556971.9514 -2.5685 -2.4264 PRESSURE: 1562600 -68.1108 115.6 -125.356 115.601 -290.398 21.327 -125.357 21.3272 188.206 GPRESSURE: 1562600 0.171645 77.3708 -168.515 126.701 -210.195 -101.174 -75.641 -28.5549 142.377 PRESSAVG: 1562600 -4.68732 24.7738 -27.8713 24.7737 -24.3285 -4.40718 -27.8714 -4.40718 10.8675 GPRESSAVG: 1562600 -6.64512 26.2795 -29.532 22.2878 -21.7835 -3.96219 -26.6811 -5.9753 10.8047 TIMING: 1562600 CPU: 4530.88, 0.00287907/step Wall: 4530.88, 0.00287907/step, 2.74903 hours remaining, 207.347656 MB of memory in use. ENERGY: 1562600 731.1940 2050.6270 1936.3013 115.8344 -205953.4920 17771.1785 0.0000 0.0000 34314.3680 -149033.9888 299.6759 -183348.3569 -148934.5517 299.7420 -56.7677 -22.5490 557275.2151 -6.0494 -5.8747 PRESSURE: 1562800 121.704 -143.05 97.5111 -143.048 -108.316 -86.2788 97.5118 -86.2771 -140.407 GPRESSURE: 1562800 137.175 -212.52 143.661 -54.5842 -75.812 -72.0752 28.9842 -27.0995 -92.5394 PRESSAVG: 1562800 -0.465428 88.1495 0.217069 88.1496 39.5598 -20.2728 0.21708 -20.2728 -34.1154 GPRESSAVG: 1562800 0.848999 86.2106 0.968886 89.0036 38.1089 -20.2518 1.0515 -19.8863 -33.6621 TIMING: 1562800 CPU: 4531.45, 0.00287648/step Wall: 4531.45, 0.00287648/step, 2.7464 hours remaining, 207.347656 MB of memory in use. ENERGY: 1562800 796.8599 2105.0766 1910.0029 114.8681 -206187.7744 17875.7259 0.0000 0.0000 34344.3198 -149040.9213 299.9375 -183385.2411 -148947.8257 299.5413 -42.3396 -10.3920 557580.4976 1.6597 1.7653 PRESSURE: 1563000 -24.1792 24.848 -69.6827 24.8491 -69.1442 5.53273 -69.6833 5.5332 120.102 GPRESSURE: 1563000 28.5307 -15.9749 -5.71988 45.857 -77.575 -120.631 -116.104 72.0484 168.625 PRESSAVG: 1563000 -22.1418 -22.5741 -19.6527 -22.5742 58.6122 45.0482 -19.6528 45.0481 8.17457 GPRESSAVG: 1563000 -22.2683 -20.4406 -17.2618 -21.1221 59.6115 44.9161 -20.6465 44.8652 7.60744 TIMING: 1563000 CPU: 4532.03, 0.00288813/step Wall: 4532.03, 0.00288813/step, 2.75736 hours remaining, 207.347656 MB of memory in use. ENERGY: 1563000 754.9705 2082.7244 1941.5769 111.5802 -205978.8486 17909.2846 0.0000 0.0000 34285.7512 -148892.9607 299.4260 -183178.7120 -148795.2605 300.3901 8.9261 39.8603 557393.2495 14.8816 14.9836 PRESSURE: 1563200 -161.306 222.755 46.0135 222.753 182.086 85.1796 46.0135 85.1787 -39.4779 GPRESSURE: 1563200 -179.872 194.502 63.4935 205.441 242.89 119.199 63.2239 112.559 4.9833 PRESSAVG: 1563200 -38.6888 0.52274 14.769 0.522791 22.8994 -20.0294 14.769 -20.0295 -0.138455 GPRESSAVG: 1563200 -38.1061 1.00413 12.8095 -1.33133 22.2017 -18.9637 14.974 -19.6931 -0.406151 TIMING: 1563200 CPU: 4532.61, 0.00289611/step Wall: 4532.61, 0.00289611/step, 2.76482 hours remaining, 207.347656 MB of memory in use. ENERGY: 1563200 723.0045 2080.5869 1933.6842 106.2582 -205891.8275 17759.1021 0.0000 0.0000 34428.9369 -148860.2546 300.6765 -183289.1916 -148760.1187 300.4411 -6.2324 22.6670 558756.0919 -5.3093 -5.4369 PRESSURE: 1563400 -105.665 19.8286 205.222 19.8277 36.6109 80.3972 205.221 80.3973 -145.244 GPRESSURE: 1563400 -30.0813 0.803926 184.007 10.941 52.4817 159.559 205.062 88.968 -138.281 PRESSAVG: 1563400 -77.0811 -21.913 74.2591 -21.913 77.0115 -20.5607 74.2592 -20.5606 46.2311 GPRESSAVG: 1563400 -77.2271 -22.4771 72.9389 -23.0655 76.7319 -21.6335 74.9566 -20.453 46.2891 TIMING: 1563400 CPU: 4533.19, 0.00290953/step Wall: 4533.19, 0.00290953/step, 2.77747 hours remaining, 207.347656 MB of memory in use. ENERGY: 1563400 814.0392 2122.6706 1956.6155 130.5261 -206376.7261 17879.2841 0.0000 0.0000 34449.1715 -149024.4192 300.8532 -183473.5907 -148930.6160 300.3000 -71.4328 -38.6270 557281.2732 15.3872 15.2646 PRESSURE: 1563600 80.5798 92.55 115.504 92.5508 -266.213 114.934 115.504 114.934 -26.8426 GPRESSURE: 1563600 53.5324 120.873 21.7181 7.70157 -204.131 89.5804 145.946 179.294 29.0925 PRESSAVG: 1563600 27.7331 2.88258 1.01159 2.88249 31.0492 20.0916 1.01158 20.0915 -47.8984 GPRESSAVG: 1563600 26.8813 2.50029 2.27503 5.34919 31.1442 19.3893 1.13394 19.57 -47.2553 TIMING: 1563600 CPU: 4533.77, 0.00290052/step Wall: 4533.77, 0.00290052/step, 2.7687 hours remaining, 207.347656 MB of memory in use. ENERGY: 1563600 768.5689 2178.2923 1943.3664 112.5029 -206247.4739 17797.6260 0.0000 0.0000 34464.1207 -148982.9967 300.9837 -183447.1174 -148886.0069 300.7483 -70.8252 -40.5022 557742.0751 3.6280 3.5901 PRESSURE: 1563800 -8.58664 -96.2839 140.56 -96.2828 -129.939 -59.1746 140.561 -59.1739 276.243 GPRESSURE: 1563800 -10.5591 -154.083 127.654 4.68121 -95.7487 -1.94851 266.197 -83.7937 336.706 PRESSAVG: 1563800 26.0084 47.4164 47.6737 47.4164 7.77638 9.55169 47.6738 9.55178 -2.03722 GPRESSAVG: 1563800 26.192 47.2727 45.3182 45.3409 8.06047 9.69148 49.5604 10.3844 -2.48901 TIMING: 1563800 CPU: 4534.35, 0.00289937/step Wall: 4534.35, 0.00289937/step, 2.76745 hours remaining, 207.347656 MB of memory in use. ENERGY: 1563800 727.0184 2140.3454 1928.0917 114.5839 -206342.5723 17909.9106 0.0000 0.0000 34511.1811 -149011.4411 301.3947 -183522.6222 -148907.3210 300.1503 45.9059 76.7995 557456.9993 10.5825 10.5878 PRESSURE: 1564000 -23.026 -190.83 -9.25281 -190.831 175.006 -38.1603 -9.2528 -38.1613 50.7677 GPRESSURE: 1564000 8.36407 -179.895 13.7207 -203.72 212.446 -63.4029 -150.314 -73.3111 84.9069 PRESSAVG: 1564000 -36.5742 42.5782 52.2336 42.5781 14.2502 -28.6204 52.2336 -28.6204 -0.29113 GPRESSAVG: 1564000 -37.1061 42.5974 56.4256 42.8202 13.5996 -31.1525 48.7437 -27.8325 0.415512 TIMING: 1564000 CPU: 4534.93, 0.00291487/step Wall: 4534.93, 0.00291487/step, 2.78208 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1564000 759.0807 2108.9487 1943.1199 118.2131 -205980.6391 17693.1217 0.0000 0.0000 34514.4974 -148843.6576 301.4237 -183358.1550 -148748.6934 299.7832 67.5825 101.9056 557202.3222 -7.5384 -7.6970 PRESSURE: 1564200 -285.089 93.3234 86.725 93.3234 273.403 176.107 86.724 176.109 17.9084 GPRESSURE: 1564200 -248.025 40.6135 103.015 83.1759 252.866 193.681 94.3757 137.938 97.1224 PRESSAVG: 1564200 -72.3523 18.789 17.534 18.789 62.1313 -54.7775 17.534 -54.7776 -18.3548 GPRESSAVG: 1564200 -70.6169 14.7896 15.8029 19.1806 61.6088 -51.1984 18.4107 -56.1291 -19.2869 TIMING: 1564200 CPU: 4535.52, 0.00292394/step Wall: 4535.52, 0.00292394/step, 2.79058 hours remaining, 207.347656 MB of memory in use. ENERGY: 1564200 743.7799 2131.2031 1943.3539 127.2171 -206086.2234 17782.7167 0.0000 0.0000 34425.3239 -148932.6288 300.6449 -183357.9527 -148846.8043 300.6260 2.0741 33.9878 557355.2309 -9.5253 -9.4316 LDB: ============= START OF LOAD BALANCING ============== 4538.91 LDB: ============== END OF LOAD BALANCING =============== 4538.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4538.91 LDB: ============= START OF LOAD BALANCING ============== 4539.2 LDB: Largest compute 4792 load 0.024246 is 20.5% of average load 0.118016 LDB: Average compute 0.001708 is 1.4% of average load 0.118016 LDB: TIME 4539.2 LOAD: AVG 0.118016 MAX 0.185634 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.371 MB LDB: TIME 4539.2 LOAD: AVG 0.118016 MAX 0.185634 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.574 MB LDB: TIME 4539.2 LOAD: AVG 0.118016 MAX 0.185634 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.574 MB LDB: ============== END OF LOAD BALANCING =============== 4539.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4539.21 PRESSURE: 1564400 70.8376 70.0916 -101.359 70.0909 145.718 73.1381 -101.36 73.1378 -53.7811 GPRESSURE: 1564400 101.521 87.7587 -53.7014 76.4738 188.088 81.2714 -144.609 47.6677 -28.8457 PRESSAVG: 1564400 -68.375 -32.225 -3.45063 -32.2251 31.5055 -19.4768 -3.4507 -19.4768 33.0329 GPRESSAVG: 1564400 -68.8866 -30.3732 -1.90498 -29.9956 31.7175 -20.6794 -2.69856 -19.9783 33.2089 TIMING: 1564400 CPU: 4536.11, 0.00298432/step Wall: 4536.11, 0.00298432/step, 2.84804 hours remaining, 208.289062 MB of memory in use. ENERGY: 1564400 747.5884 2113.2687 1967.6884 118.9527 -205957.2692 17752.5940 0.0000 0.0000 34410.7333 -148846.4436 300.5175 -183257.1770 -148754.6338 300.9478 54.2583 86.9211 558230.2175 -1.2789 -1.3201 PRESSURE: 1564600 -270.398 93.9688 -95.9211 93.9687 -105.564 54.0934 -95.9204 54.0921 343.788 GPRESSURE: 1564600 -205.76 81.9313 -37.9906 21.4481 -130.849 -12.8701 -191.354 169.97 412.663 PRESSAVG: 1564600 -50.0194 20.894 26.7119 20.894 44.0201 0.50183 26.7119 0.501819 10.8405 GPRESSAVG: 1564600 -50.1812 22.4718 22.6841 18.1368 43.8942 -0.300812 27.5107 2.99568 11.0853 TIMING: 1564600 CPU: 4536.7, 0.00292688/step Wall: 4536.7, 0.00292688/step, 2.79306 hours remaining, 208.289062 MB of memory in use. ENERGY: 1564600 775.5215 2092.9871 1953.2701 111.6468 -206612.9866 18163.2261 0.0000 0.0000 34398.6845 -149117.6504 300.4123 -183516.3350 -149016.8675 300.1684 -10.7245 25.3513 558341.2001 1.6137 1.5994 PRESSURE: 1564800 -51.8923 101.448 -31.5695 101.448 29.8762 266.818 -31.5696 266.819 12.1422 GPRESSURE: 1564800 15.8913 143.741 -61.6253 157.493 38.0661 236.943 -25.4277 206.762 29.6715 PRESSAVG: 1564800 -26.0603 26.2109 -49.0105 26.2109 4.17721 47.3184 -49.0104 47.3183 -16.384 GPRESSAVG: 1564800 -25.3769 26.0914 -46.928 27.4918 3.33782 48.2872 -50.6755 45.0775 -16.039 TIMING: 1564800 CPU: 4537.28, 0.00291564/step Wall: 4537.28, 0.00291564/step, 2.78217 hours remaining, 208.289062 MB of memory in use. ENERGY: 1564800 764.7425 2101.3942 1949.8709 104.7239 -206389.2918 17685.6902 0.0000 0.0000 34490.1357 -149292.7345 301.2109 -183782.8701 -149192.0381 299.3009 -3.2913 27.8763 555695.7953 -12.7557 -12.6927 PRESSURE: 1565000 -262.876 -26.5467 41.2617 -26.5472 95.7347 124.208 41.2618 124.209 -51.6246 GPRESSURE: 1565000 -217.275 32.219 7.04348 32.6889 169.607 102.7 44.7987 111.176 -71.551 PRESSAVG: 1565000 10.9509 -4.71908 -19.0103 -4.71908 -24.0511 35.0115 -19.0103 35.0116 12.1862 GPRESSAVG: 1565000 9.94579 -4.8522 -18.5383 -5.11533 -23.4324 35.0986 -18.9819 34.0443 12.7332 TIMING: 1565000 CPU: 4537.86, 0.00290856/step Wall: 4537.86, 0.00290856/step, 2.77526 hours remaining, 208.289062 MB of memory in use. ENERGY: 1565000 754.3648 2042.1982 1944.5817 118.5099 -206348.5724 17803.7996 0.0000 0.0000 34344.7860 -149340.3320 299.9416 -183685.1180 -149240.9352 299.1485 -72.9221 -39.7395 557048.8088 -0.3047 -0.2511 PRESSURE: 1565200 -89.3155 80.9107 -149.955 80.9105 54.6156 53.5416 -149.957 53.5407 207.542 GPRESSURE: 1565200 -48.298 114.78 -188.678 63.0536 68.7343 129.522 -138.774 99.5638 237.928 PRESSAVG: 1565200 -3.73549 17.9427 -33.5052 17.9426 13.8824 -7.88275 -33.5054 -7.88274 -10.166 GPRESSAVG: 1565200 -4.12264 16.756 -31.6882 17.5418 14.1726 -6.23234 -34.3282 -6.04146 -10.206 TIMING: 1565200 CPU: 4538.44, 0.00289716/step Wall: 4538.44, 0.00289716/step, 2.76421 hours remaining, 208.289062 MB of memory in use. ENERGY: 1565200 732.3970 2084.0517 1959.2096 111.9335 -206397.0195 17836.9267 0.0000 0.0000 34346.5548 -149325.9461 299.9570 -183672.5009 -149230.1692 298.9110 57.6139 86.1215 556241.6289 -0.0063 -0.0520 PRESSURE: 1565400 144.792 -45.9487 56.1133 -45.9503 -81.4832 -134.44 56.1125 -134.44 119.281 GPRESSURE: 1565400 194.895 -117.319 65.1469 -27.4787 -18.2921 -165.177 173.95 -180.811 103.575 PRESSAVG: 1565400 -44.6318 41.6606 -40.1754 41.6606 39.7457 -10.3284 -40.1754 -10.3284 1.1216 GPRESSAVG: 1565400 -44.2746 42.9911 -42.8335 39.3642 41.2519 -10.9417 -38.1913 -11.9056 -0.546569 TIMING: 1565400 CPU: 4539.03, 0.00294014/step Wall: 4539.03, 0.00294014/step, 2.80505 hours remaining, 208.359375 MB of memory in use. ENERGY: 1565400 779.6294 2106.4910 1947.9176 114.8760 -206515.0410 17980.7111 0.0000 0.0000 34364.3462 -149221.0696 300.1124 -183585.4158 -149120.0061 299.9603 60.8632 93.3926 556542.7659 -1.2548 -1.1898 PRESSURE: 1565600 -84.9955 -47.0232 -77.4545 -47.0229 -78.9669 109.489 -77.4544 109.491 13.1639 GPRESSURE: 1565600 -11.5232 -73.8244 -18.349 19.4019 -38.2758 146.192 -108.879 142.08 5.04185 PRESSAVG: 1565600 39.5102 -1.71336 -54.3733 -1.71334 13.7107 8.04838 -54.3734 8.04846 -64.469 GPRESSAVG: 1565600 40.2253 -2.01806 -55.2515 1.82338 12.0736 9.54069 -54.1375 7.13743 -63.5007 TIMING: 1565600 CPU: 4539.61, 0.00289073/step Wall: 4539.61, 0.00289073/step, 2.75775 hours remaining, 208.359375 MB of memory in use. ENERGY: 1565600 773.3819 2059.5022 1942.6936 119.1322 -206186.6541 17809.4983 0.0000 0.0000 34379.3266 -149103.1193 300.2432 -183482.4458 -149009.0930 299.5259 -50.2662 -14.9190 557866.2602 -3.7494 -3.7340 PRESSURE: 1565800 210.639 54.9093 -143.571 54.9102 -14.6005 1.25432 -143.572 1.25427 413.705 GPRESSURE: 1565800 299.56 -0.731767 -228.539 59.7079 -25.0386 -9.26596 -86.6455 -27.4231 432.995 PRESSAVG: 1565800 -29.8837 44.8613 -40.5437 44.8613 11.9574 -56.8337 -40.5436 -56.8337 7.35023 GPRESSAVG: 1565800 -30.6827 42.721 -40.2561 44.6508 12.2711 -59.2942 -40.7308 -56.0353 7.62593 TIMING: 1565800 CPU: 4540.19, 0.00290967/step Wall: 4540.19, 0.00290967/step, 2.77567 hours remaining, 208.359375 MB of memory in use. ENERGY: 1565800 722.8922 2068.9307 1986.5937 112.7586 -206153.6210 18014.2803 0.0000 0.0000 34353.0345 -148895.1312 300.0136 -183248.1656 -148797.4515 300.3436 203.2477 235.8388 557168.2588 -3.5254 -3.5952 PRESSURE: 1566000 -155.712 50.6116 78.434 50.6106 283.842 173.858 78.4345 173.858 -135.436 GPRESSURE: 1566000 -118.643 81.447 21.244 3.21552 294.129 136.26 30.1961 144.67 -86.7126 PRESSAVG: 1566000 12.6433 70.304 -37.6259 70.304 -29.2417 -7.02603 -37.6259 -7.02605 17.6884 GPRESSAVG: 1566000 12.349 73.4371 -38.1058 68.0318 -28.8745 -6.62251 -37.4014 -6.66618 18.0308 TIMING: 1566000 CPU: 4540.77, 0.00291187/step Wall: 4540.77, 0.00291187/step, 2.7776 hours remaining, 208.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1566000 739.2065 2118.5308 1940.3197 107.4904 -205526.7241 17464.0191 0.0000 0.0000 34184.1118 -148973.0460 298.5384 -183157.1577 -148881.7151 300.3097 -2.4352 29.5913 555926.5061 0.3633 0.5018 PRESSURE: 1566200 -132.503 -8.69665 54.3062 -8.69609 -106.421 47.9613 54.3062 47.9594 1.93773 GPRESSURE: 1566200 -112.844 -71.2839 91.247 -48.9246 -57.1805 -5.65597 21.1603 146.744 28.6658 PRESSAVG: 1566200 44.0367 36.2949 6.06379 36.2949 -21.808 -36.3569 6.06378 -36.3568 -6.68382 GPRESSAVG: 1566200 45.005 34.7002 7.69434 37.728 -21.3964 -36.1404 4.7596 -34.2886 -8.07299 TIMING: 1566200 CPU: 4541.36, 0.00291189/step Wall: 4541.36, 0.00291189/step, 2.77746 hours remaining, 208.359375 MB of memory in use. ENERGY: 1566200 748.9228 2088.2354 1987.3118 116.3076 -205985.6092 17701.6042 0.0000 0.0000 34189.5045 -149153.7228 298.5854 -183343.2273 -149053.6397 299.7422 -78.9955 -47.1195 556441.7777 5.1816 5.1785 PRESSURE: 1566400 -146.645 -101.755 -70.1319 -101.755 189.141 -151.052 -70.1307 -151.051 -71.5712 GPRESSURE: 1566400 -123.296 -157.004 -81.9596 -13.6803 188.657 -159.044 -78.054 -218.964 2.26732 PRESSAVG: 1566400 -54.1114 18.6628 12.058 18.6627 50.7778 -52.5007 12.0581 -52.5006 7.42642 GPRESSAVG: 1566400 -53.742 19.772 12.3531 18.1983 50.2134 -52.0305 11.4007 -53.9877 8.08042 TIMING: 1566400 CPU: 4541.94, 0.00290881/step Wall: 4541.94, 0.00290881/step, 2.77436 hours remaining, 208.359375 MB of memory in use. ENERGY: 1566400 731.1466 2076.0911 1970.7157 112.1890 -205937.6048 17712.0585 0.0000 0.0000 34283.0369 -149052.3670 299.4023 -183335.4039 -148958.7047 299.8444 -9.6919 22.5429 556053.0108 1.3643 1.5173 PRESSURE: 1566600 136.982 296.972 150.361 296.973 -25.0559 26.4879 150.361 26.4895 106.581 GPRESSURE: 1566600 206.758 275.853 221.187 283.93 -33.6176 -7.19522 121.368 26.4896 150.37 PRESSAVG: 1566600 30.8147 38.2947 9.87767 38.2946 -45.9468 -52.0903 9.87776 -52.0903 -4.95747 GPRESSAVG: 1566600 30.459 38.3047 8.89425 38.4901 -44.8587 -51.5521 10.3572 -51.8036 -5.95374 TIMING: 1566600 CPU: 4542.51, 0.00287071/step Wall: 4542.51, 0.00287071/step, 2.73786 hours remaining, 208.359375 MB of memory in use. ENERGY: 1566600 748.2183 2136.6162 1945.4192 119.3521 -206342.8577 18039.7925 0.0000 0.0000 34174.1502 -149179.3091 298.4514 -183353.4594 -149078.8126 299.7326 72.8360 107.8369 558214.4672 -6.6965 -6.7845 PRESSURE: 1566800 119.23 -12.5426 -79.1629 -12.5425 -86.2583 41.6089 -79.1623 41.6099 257.873 GPRESSURE: 1566800 147.416 -10.8075 -101.674 -21.8242 -78.2658 -4.0165 -86.0609 77.4331 323.673 PRESSAVG: 1566800 54.7182 -5.5869 47.619 -5.58687 10.932 -8.04405 47.619 -8.04386 -31.0957 GPRESSAVG: 1566800 54.9285 -7.08798 48.3541 -4.85607 9.40824 -7.19971 48.018 -8.32064 -29.8705 TIMING: 1566800 CPU: 4543.09, 0.00290524/step Wall: 4543.09, 0.00290524/step, 2.77063 hours remaining, 208.359375 MB of memory in use. ENERGY: 1566800 713.5577 2100.2911 1934.8505 125.9142 -206842.1724 18266.8026 0.0000 0.0000 34369.7385 -149331.0178 300.1595 -183700.7563 -149235.1733 299.1018 96.9483 130.9410 557961.4104 11.5181 11.4888 PRESSURE: 1567000 -21.9141 96.2147 207.628 96.2141 -222.955 -68.4656 207.629 -68.465 -117.653 GPRESSURE: 1567000 -50.3347 48.945 262.916 116.802 -135.94 -93.5538 167.584 -71.377 -80.0497 PRESSAVG: 1567000 29.2405 -8.48373 70.9785 -8.48374 36.9867 -9.0993 70.9784 -9.09925 -59.9912 GPRESSAVG: 1567000 28.0449 -8.16159 70.9222 -7.93937 38.5326 -10.77 69.751 -8.1389 -60.5544 TIMING: 1567000 CPU: 4543.67, 0.00290685/step Wall: 4543.67, 0.00290685/step, 2.77201 hours remaining, 208.359375 MB of memory in use. ENERGY: 1567000 726.2523 2025.7175 1971.4270 106.6854 -206041.0350 17668.8879 0.0000 0.0000 34191.9137 -149350.1511 298.6065 -183542.0648 -149251.9741 298.2600 -120.8407 -88.7749 557839.2738 2.0787 2.0077 PRESSURE: 1567200 -27.9389 -43.3387 -165.306 -43.3381 129.472 68.6692 -165.307 68.6675 225.484 GPRESSURE: 1567200 -10.7384 15.6705 -135.636 -46.6777 178.944 50.9554 -187.147 102.57 264.827 PRESSAVG: 1567200 32.9074 -1.96407 -27.1298 -1.96402 -5.30584 27.1069 -27.1298 27.1068 -60.6238 GPRESSAVG: 1567200 33.5013 -0.304172 -28.3373 -3.50198 -6.05211 26.932 -24.617 27.4084 -61.0365 TIMING: 1567200 CPU: 4544.26, 0.002923/step Wall: 4544.26, 0.002923/step, 2.78724 hours remaining, 208.359375 MB of memory in use. ENERGY: 1567200 755.0605 2065.1495 1969.8105 98.7817 -206670.5814 18059.0995 0.0000 0.0000 34224.6724 -149498.0073 298.8926 -183722.6797 -149401.0524 299.1411 109.0059 144.3441 556216.4932 -11.0074 -11.1958 PRESSURE: 1567400 158.551 162.189 1.56818 162.188 97.1228 62.6216 1.56889 62.6233 -157.81 GPRESSURE: 1567400 223.175 205.093 -55.1573 196.721 107.364 44.4851 14.5348 62.2286 -142.218 PRESSAVG: 1567400 1.20907 26.2011 9.48251 26.201 19.8126 29.1476 9.4825 29.1476 6.85366 GPRESSAVG: 1567400 0.937178 25.1964 10.1248 25.894 19.7686 29.5637 11.1726 28.7863 6.9876 TIMING: 1567400 CPU: 4544.84, 0.00288395/step Wall: 4544.84, 0.00288395/step, 2.74984 hours remaining, 208.359375 MB of memory in use. ENERGY: 1567400 767.6133 2011.2777 1959.2432 106.7663 -206396.4663 17952.5755 0.0000 0.0000 34051.8155 -149547.1747 297.3830 -183598.9902 -149453.3237 298.4639 32.6211 62.7739 556834.8165 9.2918 9.2311 PRESSURE: 1567600 68.2977 -72.9969 -42.2962 -72.9967 18.9701 100.541 -42.2955 100.542 176.157 GPRESSURE: 1567600 88.5495 -42.3053 -98.1034 -21.3624 78.4319 -17.4202 -40.5138 236.026 189.804 PRESSAVG: 1567600 66.2701 8.00919 1.80918 8.00921 13.8535 21.2118 1.80915 21.2116 -38.4562 GPRESSAVG: 1567600 64.9737 7.47687 2.09559 8.17849 14.0693 19.6346 -1.89791 19.4817 -37.3634 TIMING: 1567600 CPU: 4545.42, 0.00289623/step Wall: 4545.42, 0.00289623/step, 2.76139 hours remaining, 208.359375 MB of memory in use. ENERGY: 1567600 729.9500 2065.1384 1971.2806 123.2935 -206435.3645 17991.7910 0.0000 0.0000 34062.2910 -149491.6201 297.4745 -183553.9110 -149398.4643 298.1898 87.8082 118.9285 556924.0203 13.8891 13.8932 PRESSURE: 1567800 30.299 -88.9772 -79.575 -88.977 195.738 -68.6886 -79.5756 -68.6891 -89.7054 GPRESSURE: 1567800 33.2964 -112.051 -0.962633 -13.9893 214.163 49.1092 -68.3521 -138.504 -33.9692 PRESSAVG: 1567800 77.3259 -29.0687 -11.4825 -29.0687 8.53038 -8.01752 -11.4824 -8.01762 -64.0529 GPRESSAVG: 1567800 78.1374 -28.8228 -12.0637 -29.0251 8.97431 -4.49622 -11.0529 -8.49891 -64.8709 TIMING: 1567800 CPU: 4545.99, 0.00287467/step Wall: 4545.99, 0.00287467/step, 2.74068 hours remaining, 208.359375 MB of memory in use. ENERGY: 1567800 736.6329 2054.3905 1969.9274 115.0679 -206310.4289 17803.2351 0.0000 0.0000 34173.1687 -149458.0064 298.4428 -183631.1751 -149362.6904 298.5346 45.4439 71.1635 557090.3825 7.2678 7.4136 PRESSURE: 1568000 -9.90664 99.4104 108.31 99.4107 -42.6587 136.442 108.309 136.441 -55.2622 GPRESSURE: 1568000 26.3897 60.8252 154.151 136.11 -13.0738 151.026 -3.27658 98.1136 -32.3182 PRESSAVG: 1568000 -40.2923 -8.96798 6.35059 -8.96789 42.8128 23.2828 6.35061 23.2829 20.8405 GPRESSAVG: 1568000 -39.3007 -11.0953 7.02649 -8.57445 41.26 20.6965 7.07373 24.4345 21.4807 TIMING: 1568000 CPU: 4546.57, 0.00290004/step Wall: 4546.57, 0.00290004/step, 2.7647 hours remaining, 208.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1568000 719.5825 2063.0868 1980.2989 120.2019 -206662.0142 18099.3531 0.0000 0.0000 34059.8877 -149619.6033 297.4535 -183679.4910 -149528.9093 298.0904 -35.9425 -6.3341 557537.6144 7.7870 7.8133 PRESSURE: 1568200 -125.736 -40.6778 -116.017 -40.678 -148.416 -3.92665 -116.017 -3.92846 -230.051 GPRESSURE: 1568200 -103.532 -47.8078 -48.6979 50.3541 -57.8706 15.1125 -96.5774 9.7393 -238.812 PRESSAVG: 1568200 5.70444 33.6545 31.9907 33.6545 38.41 -48.8154 31.9907 -48.8151 -50.8649 GPRESSAVG: 1568200 4.17605 36.5031 29.9252 31.9533 39.6774 -47.0947 33.2354 -50.9823 -50.6676 TIMING: 1568200 CPU: 4547.15, 0.00290105/step Wall: 4547.15, 0.00290105/step, 2.7655 hours remaining, 208.359375 MB of memory in use. ENERGY: 1568200 709.4395 2074.6790 1940.4101 106.7415 -206101.3184 17502.8956 0.0000 0.0000 34184.5674 -149582.5852 298.5423 -183767.1526 -149489.3422 298.4222 -168.0677 -133.4049 556676.5828 -2.2501 -2.2714 LDB: ============= START OF LOAD BALANCING ============== 4550.54 LDB: ============== END OF LOAD BALANCING =============== 4550.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4550.54 LDB: ============= START OF LOAD BALANCING ============== 4550.83 LDB: Largest compute 4792 load 0.025704 is 21.8% of average load 0.118018 LDB: Average compute 0.001701 is 1.4% of average load 0.118018 LDB: TIME 4550.83 LOAD: AVG 0.118018 MAX 0.180973 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.598 MB LDB: TIME 4550.83 LOAD: AVG 0.118018 MAX 0.180973 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.598 MB LDB: TIME 4550.83 LOAD: AVG 0.118018 MAX 0.180973 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.598 MB LDB: ============== END OF LOAD BALANCING =============== 4550.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4550.84 PRESSURE: 1568400 87.6948 -2.34383 73.9334 -2.34406 47.9744 -70.3904 73.934 -70.3885 -83.4212 GPRESSURE: 1568400 108.605 75.7932 102.493 -142.878 116.989 -71.6418 117.462 -107.566 -81.3217 PRESSAVG: 1568400 37.2904 35.2101 0.260864 35.21 -25.1754 31.3246 0.260794 31.3245 52.9923 GPRESSAVG: 1568400 38.3725 34.778 1.42069 36.8073 -25.1828 29.6044 -2.0065 34.0708 51.8745 TIMING: 1568400 CPU: 4547.74, 0.0029447/step Wall: 4547.74, 0.0029447/step, 2.80695 hours remaining, 209.441406 MB of memory in use. ENERGY: 1568400 768.3134 2049.3898 1954.9589 120.2043 -206446.9760 17693.4505 0.0000 0.0000 34277.6222 -149583.0368 299.3550 -183860.6590 -149491.4713 299.0221 17.4160 48.0907 555456.5811 21.7025 21.6881 PRESSURE: 1568600 -29.4237 -92.1109 -31.9551 -92.111 10.4904 33.8573 -31.9568 33.8578 -194.61 GPRESSURE: 1568600 22.1507 -98.1001 -74.1736 -106.297 49.2048 77.3201 10.2791 -7.80794 -188.473 PRESSAVG: 1568600 11.7259 -24.1252 33.4853 -24.1252 -30.6179 23.8 33.4853 23.8 -2.61313 GPRESSAVG: 1568600 11.3812 -25.3093 32.5264 -25.2444 -30.9675 22.9593 34.1983 22.0421 -1.96372 TIMING: 1568600 CPU: 4548.32, 0.00291808/step Wall: 4548.32, 0.00291808/step, 2.78142 hours remaining, 209.511719 MB of memory in use. ENERGY: 1568600 746.4422 2057.6610 1971.3723 116.9211 -206437.0929 17762.4778 0.0000 0.0000 34166.4320 -149615.7864 298.3839 -183782.2184 -149523.5084 298.4452 -71.1813 -39.0392 556326.1498 -7.1684 -7.1833 PRESSURE: 1568800 95.9061 8.12527 174.16 8.12623 -46.2429 190.244 174.161 190.244 -232.543 GPRESSURE: 1568800 191.888 -2.52394 145.819 94.8551 -73.4338 165.346 93.1607 203.699 -206.62 PRESSAVG: 1568800 -4.98988 -66.904 -21.8409 -66.904 59.1557 -3.99686 -21.8409 -3.99677 -54.8737 GPRESSAVG: 1568800 -5.9046 -65.0995 -19.9934 -66.9515 59.2121 -3.12907 -21.8838 -3.29282 -53.9237 TIMING: 1568800 CPU: 4548.9, 0.0029032/step Wall: 4548.9, 0.0029032/step, 2.76707 hours remaining, 209.652344 MB of memory in use. ENERGY: 1568800 747.4464 2024.5339 1959.3890 120.7085 -206485.1879 17803.8095 0.0000 0.0000 34283.7801 -149545.5205 299.4088 -183829.3006 -149456.5288 298.4915 -60.9601 -29.3887 556280.1975 -0.2360 -0.2054 PRESSURE: 1569000 520.421 192.663 -42.6738 192.663 113.689 -129.817 -42.6752 -129.816 -12.7537 GPRESSURE: 1569000 529.26 97.8738 -71.7289 124.261 118.957 -71.9834 -10.9141 -146.355 61.8294 PRESSAVG: 1569000 -16.4539 -58.9607 7.54645 -58.9606 -25.988 -12.194 7.54642 -12.194 33.5206 GPRESSAVG: 1569000 -14.7749 -60.3899 6.18735 -59.0674 -25.9538 -12.4979 10.3534 -13.0657 32.1239 TIMING: 1569000 CPU: 4549.48, 0.00289678/step Wall: 4549.48, 0.00289678/step, 2.76079 hours remaining, 209.652344 MB of memory in use. ENERGY: 1569000 720.1507 2077.2771 1948.8353 123.8323 -206489.4870 18069.3398 0.0000 0.0000 34046.8574 -149503.1944 297.3397 -183550.0518 -149404.2647 298.6866 207.1187 236.6823 555367.0645 -2.9738 -2.8683 PRESSURE: 1569200 21.2175 35.2475 84.5311 35.2479 23.164 -55.4068 84.5297 -55.4064 -493.349 GPRESSURE: 1569200 14.0351 53.7843 134.157 63.7964 72.119 -69.9012 31.8119 19.4234 -443.586 PRESSAVG: 1569200 6.53176 19.8601 -11.4774 19.8602 15.8276 -35.5908 -11.4773 -35.5908 -21.1105 GPRESSAVG: 1569200 6.29764 20.2692 -12.7693 21.7901 15.2513 -34.8966 -13.6089 -37.0701 -20.6203 TIMING: 1569200 CPU: 4550.07, 0.00291055/step Wall: 4550.07, 0.00291055/step, 2.77376 hours remaining, 209.652344 MB of memory in use. ENERGY: 1569200 699.6179 2062.8235 1940.8551 111.6195 -205988.2291 17415.5396 0.0000 0.0000 34045.2519 -149712.5216 297.3257 -183757.7736 -149619.1913 297.8428 -149.6560 -119.1440 556994.3721 0.4163 0.3095 PRESSURE: 1569400 -68.2031 72.609 -73.2783 72.6089 116.765 -131.725 -73.2785 -131.724 -221.857 GPRESSURE: 1569400 -15.4771 40.9926 -76.4912 67.3333 78.9178 -203.323 -116.504 -51.744 -149.831 PRESSAVG: 1569400 18.6785 -52.9596 -9.53466 -52.9596 20.0393 -10.1174 -9.53455 -10.1175 -17.5237 GPRESSAVG: 1569400 19.2919 -53.8322 -6.45291 -52.808 19.9164 -9.05787 -10.7268 -8.67629 -18.1939 TIMING: 1569400 CPU: 4550.64, 0.00288284/step Wall: 4550.64, 0.00288284/step, 2.74718 hours remaining, 209.652344 MB of memory in use. ENERGY: 1569400 710.1495 2067.2384 1930.1130 107.0046 -206508.4783 17849.8613 0.0000 0.0000 34088.1313 -149755.9802 297.7001 -183844.1115 -149661.0914 297.7646 -57.7649 -28.7967 555329.4376 7.0647 7.0048 PRESSURE: 1569600 -183.746 71.2654 52.1175 71.2643 -18.878 35.4397 52.1178 35.4397 -38.5084 GPRESSURE: 1569600 -121.189 80.6771 14.8676 59.8191 -24.3053 59.8751 42.8497 25.5149 -0.50553 PRESSAVG: 1569600 -35.8169 -3.09318 26.0383 -3.0932 12.5371 -0.013994 26.0382 -0.0138881 32.1106 GPRESSAVG: 1569600 -36.695 -1.95607 24.8869 -4.54895 12.5828 -1.82146 26.014 1.08668 33.068 TIMING: 1569600 CPU: 4551.22, 0.00289054/step Wall: 4551.22, 0.00289054/step, 2.75436 hours remaining, 209.652344 MB of memory in use. ENERGY: 1569600 781.8263 2081.0610 1923.3055 116.8702 -206432.1689 17741.1471 0.0000 0.0000 34164.0605 -149623.8982 298.3632 -183787.9587 -149523.3551 297.6612 -80.3775 -48.6665 555642.0562 2.9436 2.9853 PRESSURE: 1569800 140.135 -103.226 -0.450142 -103.226 283.965 127.519 -0.450672 127.518 13.6705 GPRESSURE: 1569800 154.464 -131.729 13.0521 -136.931 330.345 115.015 -19.667 126.853 52.789 PRESSAVG: 1569800 -13.5023 -45.1077 15.5348 -45.1076 62.8776 -32.585 15.5347 -32.585 -19.0987 GPRESSAVG: 1569800 -14.1505 -46.654 15.9749 -44.2049 64.2143 -30.7201 17.2101 -36.3228 -19.3092 TIMING: 1569800 CPU: 4551.8, 0.00290603/step Wall: 4551.8, 0.00290603/step, 2.76897 hours remaining, 209.652344 MB of memory in use. ENERGY: 1569800 720.4964 2061.6769 1945.0045 106.8659 -206538.3290 18018.7307 0.0000 0.0000 34077.6985 -149607.8561 297.6090 -183685.5545 -149512.5645 297.8432 145.9234 179.1992 556453.3070 10.0922 10.2516 PRESSURE: 1570000 -336.008 -20.0475 -12.6452 -20.0476 42.9764 25.0159 -12.6463 25.0159 -3.40869 GPRESSURE: 1570000 -289.024 31.4516 1.52878 -73.3357 60.1422 -9.4253 -72.7623 74.1764 30.2883 PRESSAVG: 1570000 -30.282 13.368 18.3884 13.3679 -10.8531 -69.1398 18.3884 -69.1397 59.1703 GPRESSAVG: 1570000 -30.1657 14.4487 18.522 11.6358 -11.6905 -69.1229 17.813 -67.6994 60.4915 TIMING: 1570000 CPU: 4552.38, 0.00289571/step Wall: 4552.38, 0.00289571/step, 2.75896 hours remaining, 209.652344 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: 1570000 744.2732 2053.1400 1922.9600 112.3480 -206362.0000 17762.8539 0.0000 0.0000 34222.0124 -149544.4125 298.8693 -183766.4248 -149443.0654 298.0801 -98.8135 -66.1978 555915.3410 6.0117 6.2117 PRESSURE: 1570200 15.9076 -39.9969 39.5554 -39.9966 75.7875 -96.345 39.5558 -96.3452 -63.8553 GPRESSURE: 1570200 63.0328 -36.0292 80.2106 -20.5278 83.6018 -110.167 8.56553 -66.1272 -25.1607 PRESSAVG: 1570200 -32.3704 -65.183 5.87864 -65.1829 47.0152 -69.7446 5.87858 -69.7446 -19.8613 GPRESSAVG: 1570200 -30.7746 -64.9771 5.70517 -63.3193 47.0192 -74.2599 5.70747 -68.3169 -21.2768 TIMING: 1570200 CPU: 4552.96, 0.00291604/step Wall: 4552.96, 0.00291604/step, 2.77818 hours remaining, 209.652344 MB of memory in use. ENERGY: 1570200 713.2945 2038.3200 1924.7970 106.1421 -206301.5665 17732.0349 0.0000 0.0000 34247.5832 -149539.3948 299.0927 -183786.9780 -149437.5903 298.6291 9.2799 40.4913 555949.4366 -1.7388 -1.6774 PRESSURE: 1570400 7.96212 115.645 85.1429 115.644 180.676 -117.228 85.1432 -117.228 384.467 GPRESSURE: 1570400 54.2189 75.2676 31.325 125.718 254.573 -102.844 201.502 -99.0773 359.712 PRESSAVG: 1570400 -49.7388 47.9683 32.6678 47.9683 -18.2865 -37.049 32.6677 -37.049 61.9634 GPRESSAVG: 1570400 -51.2125 47.4972 31.9281 47.3162 -18.1742 -36.7598 33.0729 -37.1249 62.8914 TIMING: 1570400 CPU: 4553.54, 0.0029035/step Wall: 4553.54, 0.0029035/step, 2.76607 hours remaining, 209.652344 MB of memory in use. ENERGY: 1570400 759.9507 2075.4759 1940.6492 116.2909 -206700.2643 18081.7355 0.0000 0.0000 34252.5343 -149473.6277 299.1359 -183726.1620 -149378.8467 298.8663 191.0350 222.8348 554981.2283 -2.0206 -2.1651 PRESSURE: 1570600 -18.544 42.0663 117.52 42.0675 456.661 -99.938 117.518 -99.9358 158.212 GPRESSURE: 1570600 -15.8445 41.294 125.363 -4.84745 456.266 -140.547 38.0789 -125.429 246.869 PRESSAVG: 1570600 -22.6338 13.9639 -2.72856 13.9639 23.1209 -21.4156 -2.72861 -21.4156 44.3696 GPRESSAVG: 1570600 -21.995 13.1153 0.0692573 13.7458 23.9792 -21.4154 -3.90228 -23.9934 43.0758 TIMING: 1570600 CPU: 4554.12, 0.00288185/step Wall: 4554.12, 0.00288185/step, 2.74528 hours remaining, 209.652344 MB of memory in use. ENERGY: 1570600 694.2493 2129.6470 1953.8546 119.1262 -206294.1012 18054.2040 0.0000 0.0000 34123.2999 -149219.7202 298.0073 -183343.0200 -149128.8141 298.9849 198.7765 229.0966 557547.4419 14.9522 15.0200 PRESSURE: 1570800 375.03 -124.487 -74.9566 -124.486 -112.135 -9.38 -74.9563 -9.37795 -81.5633 GPRESSURE: 1570800 370.978 -44.6691 -93.7943 -113.383 -90.244 61.5907 -57.1239 -65.4732 -0.682527 PRESSAVG: 1570800 -75.2951 -23.5382 -24.528 -23.5382 -8.01602 -5.17782 -24.528 -5.17775 27.6023 GPRESSAVG: 1570800 -75.8784 -23.8268 -26.6818 -23.2387 -8.53793 -3.35491 -24.0977 -2.47107 28.6099 TIMING: 1570800 CPU: 4554.7, 0.00287894/step Wall: 4554.7, 0.00287894/step, 2.74235 hours remaining, 209.652344 MB of memory in use. ENERGY: 1570800 771.4718 2090.8896 1939.4712 111.0310 -206342.1488 18150.2337 0.0000 0.0000 34148.4275 -149130.6240 298.2267 -183279.0515 -149040.5354 299.4436 60.4437 93.3506 559532.4917 -18.5696 -18.6021 PRESSURE: 1571000 -157.053 -21.0732 -191.366 -21.0741 -279.855 67.2694 -191.366 67.2711 -232.283 GPRESSURE: 1571000 -100.298 17.5989 -145.199 -48.1356 -232.665 40.7164 -203.803 129.546 -243.179 PRESSAVG: 1571000 3.37046 15.5904 -44.5682 15.5904 26.1128 47.8416 -44.5683 47.8417 14.7542 GPRESSAVG: 1571000 3.17712 18.4323 -44.3632 13.4585 27.0421 46.229 -43.7734 48.3347 13.6516 TIMING: 1571000 CPU: 4555.28, 0.0029167/step Wall: 4555.28, 0.0029167/step, 2.77815 hours remaining, 209.652344 MB of memory in use. ENERGY: 1571000 716.2246 2074.6257 1943.5071 125.6260 -206015.8476 17575.1603 0.0000 0.0000 34175.4894 -149405.2144 298.4630 -183580.7039 -149311.0654 298.8344 -223.0637 -192.0474 559596.0473 14.7458 14.6236 PRESSURE: 1571200 344.452 -156.574 -28.1509 -156.573 149.025 139.569 -28.1509 139.571 79.7188 GPRESSURE: 1571200 337.742 -71.0331 40.8327 -85.6146 190.224 85.6933 40.7073 130.546 147.216 PRESSAVG: 1571200 27.2832 -43.0352 9.14547 -43.0353 -2.03176 43.441 9.1454 43.4411 -27.0241 GPRESSAVG: 1571200 27.6737 -44.2333 10.4595 -41.6829 -2.2417 44.3085 7.0269 40.4824 -26.9754 TIMING: 1571200 CPU: 4555.87, 0.00294888/step Wall: 4555.87, 0.00294888/step, 2.80865 hours remaining, 209.652344 MB of memory in use. ENERGY: 1571200 726.1213 2103.7259 1945.4234 121.9592 -206924.8466 18276.0721 0.0000 0.0000 34233.9754 -149517.5692 298.9738 -183751.5447 -149417.3997 298.2758 191.0651 225.0605 556782.3031 -0.5909 -0.5145 PRESSURE: 1571400 -53.917 -8.14904 -4.11914 -8.14925 -76.2193 -54.6809 -4.12056 -54.6818 118.088 GPRESSURE: 1571400 -42.4482 42.8006 30.3011 -39.4363 -45.1784 -48.8996 102.112 37.5048 180.34 PRESSAVG: 1571400 20.2451 -19.1107 -12.3408 -19.1106 5.82892 -36.9967 -12.3408 -36.9968 -63.7187 GPRESSAVG: 1571400 21.0186 -20.5549 -13.4237 -18.1894 4.66374 -36.5344 -12.0846 -34.816 -63.4628 TIMING: 1571400 CPU: 4556.45, 0.00291879/step Wall: 4556.45, 0.00291879/step, 2.77982 hours remaining, 209.652344 MB of memory in use. ENERGY: 1571400 752.4658 2057.2647 1913.6325 109.5432 -206146.7639 18000.4752 0.0000 0.0000 34072.5796 -149240.8030 297.5643 -183313.3825 -149142.0787 298.1026 -4.0162 30.9045 558559.5320 -12.5482 -12.5935 PRESSURE: 1571600 32.1658 -61.5668 -57.4799 -61.5664 101.448 -62.0648 -57.4801 -62.0634 71.9385 GPRESSURE: 1571600 128.039 -110.682 -27.2981 -12.9544 96.0872 -80.1901 -28.6249 -60.4555 75.7508 PRESSAVG: 1571600 -40.3768 39.0653 -14.0303 39.0653 55.2795 -30.8611 -14.0302 -30.8611 29.7745 GPRESSAVG: 1571600 -39.8929 38.9988 -12.9665 39.5641 56.1008 -31.5862 -13.0422 -31.5641 28.2653 TIMING: 1571600 CPU: 4557.03, 0.00289295/step Wall: 4557.03, 0.00289295/step, 2.75505 hours remaining, 209.652344 MB of memory in use. ENERGY: 1571600 734.9803 2142.8736 1945.4032 117.9188 -206035.3563 18009.8918 0.0000 0.0000 33932.9193 -149151.3693 296.3446 -183084.2886 -149061.8939 299.0105 68.5175 99.9589 560155.3789 14.8924 14.8244 PRESSURE: 1571800 98.5023 9.95908 4.84319 9.95745 179.376 78.5054 4.84524 78.5061 -27.9958 GPRESSURE: 1571800 77.2216 15.1972 -63.0973 75.2324 276.747 -20.1599 -31.9279 61.3835 -20.6065 PRESSAVG: 1571800 -35.4767 3.78567 -10.6362 3.78562 16.0915 -25.7038 -10.6363 -25.7037 -20.9192 GPRESSAVG: 1571800 -35.841 2.8242 -11.8474 4.24988 16.3619 -25.4691 -10.0453 -25.6824 -20.5993 TIMING: 1571800 CPU: 4557.61, 0.00290483/step Wall: 4557.61, 0.00290483/step, 2.7662 hours remaining, 209.652344 MB of memory in use. ENERGY: 1571800 739.0773 2144.3916 1945.0502 101.4271 -206060.4271 17901.5592 0.0000 0.0000 34039.6970 -149189.2246 297.2771 -183228.9216 -149092.0877 298.7309 83.2943 111.1207 558903.0571 -13.4348 -13.3595 PRESSURE: 1572000 -186.599 30.673 -192.162 30.6725 -214.709 52.9162 -192.162 52.9154 -219.239 GPRESSURE: 1572000 -163.068 41.6852 -178.623 48.3703 -179.36 60.1212 -218.915 10.7053 -191.347 PRESSAVG: 1572000 -1.62346 36.865 -35.3479 36.8651 35.5667 3.37655 -35.3479 3.3766 0.908378 GPRESSAVG: 1572000 -2.82624 38.1822 -35.8703 36.2448 35.4432 2.32672 -35.282 2.74754 1.17938 TIMING: 1572000 CPU: 4558.19, 0.00288966/step Wall: 4558.19, 0.00288966/step, 2.7516 hours remaining, 209.652344 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: 1572000 748.8124 2101.0479 1964.7015 111.0438 -205908.8366 17610.3678 0.0000 0.0000 34084.0469 -149288.8164 297.6645 -183372.8633 -149186.9241 298.5942 -206.8492 -177.9246 559274.9690 11.6172 11.2655 PRESSURE: 1572200 59.8206 -80.898 129.863 -80.8981 -153.408 -39.0556 129.862 -39.0539 -82.4814 GPRESSURE: 1572200 66.8796 -119.407 71.7849 -77.5472 -113.642 -36.002 162.248 -1.30024 -33.6946 PRESSAVG: 1572200 -7.08498 22.7424 37.6503 22.7424 -35.9361 -14.6527 37.6504 -14.6528 68.8114 GPRESSAVG: 1572200 -7.34012 25.0813 37.7482 21.8695 -34.9345 -13.1773 36.9525 -14.4486 68.7125 TIMING: 1572200 CPU: 4558.77, 0.00288713/step Wall: 4558.77, 0.00288713/step, 2.74903 hours remaining, 209.652344 MB of memory in use. ENERGY: 1572200 725.2722 2063.9769 1952.9413 116.0753 -206305.8952 17861.6496 0.0000 0.0000 34348.1031 -149237.8768 299.9705 -183585.9799 -149141.5408 299.2956 -58.6895 -26.8189 558846.5515 8.5968 8.8126 LDB: ============= START OF LOAD BALANCING ============== 4562.16 LDB: ============== END OF LOAD BALANCING =============== 4562.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4562.16 LDB: ============= START OF LOAD BALANCING ============== 4562.45 LDB: Largest compute 4792 load 0.024601 is 20.8% of average load 0.118082 LDB: Average compute 0.001705 is 1.4% of average load 0.118082 LDB: TIME 4562.45 LOAD: AVG 0.118082 MAX 0.183528 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.699 MB LDB: TIME 4562.45 LOAD: AVG 0.118082 MAX 0.183528 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.742 MB LDB: TIME 4562.45 LOAD: AVG 0.118082 MAX 0.183528 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4562.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4562.46 PRESSURE: 1572400 142.293 42.1405 89.0245 42.1407 211.531 -85.2906 89.0235 -85.2901 -59.4208 GPRESSURE: 1572400 181.584 72.4559 151.826 46.3797 236.439 -96.6579 45.7973 38.0654 -49.3979 PRESSAVG: 1572400 34.1464 37.0126 12.0792 37.0126 -14.337 24.5703 12.0794 24.5704 -28.6662 GPRESSAVG: 1572400 34.484 34.6792 10.8442 40.2356 -15.3502 24.2188 13.302 25.5508 -28.3607 TIMING: 1572400 CPU: 4559.36, 0.00297274/step Wall: 4559.36, 0.00297274/step, 2.83038 hours remaining, 210.214844 MB of memory in use. ENERGY: 1572400 737.9712 2137.4011 1948.3130 113.9263 -206275.1462 17981.6845 0.0000 0.0000 34070.8042 -149285.0459 297.5488 -183355.8500 -149195.8220 299.6597 98.1344 122.8750 558445.2632 -2.9523 -3.0756 PRESSURE: 1572600 135.315 -185.539 18.8213 -185.539 -103.988 42.3755 18.8211 42.3745 -247.883 GPRESSURE: 1572600 112.425 -119.303 44.0291 -186.126 -93.3518 31.8536 35.2389 47.0213 -165.332 PRESSAVG: 1572600 7.57224 57.6006 23.5309 57.6004 53.4902 7.68015 23.5309 7.68022 -79.0889 GPRESSAVG: 1572600 6.89725 59.6151 25.1728 55.0501 53.9996 8.86058 23.1572 5.04353 -78.8672 TIMING: 1572600 CPU: 4559.95, 0.0029154/step Wall: 4559.95, 0.0029154/step, 2.77562 hours remaining, 210.214844 MB of memory in use. ENERGY: 1572600 730.7297 2054.3105 1974.8870 107.6524 -206447.5790 17851.8230 0.0000 0.0000 34317.7036 -149410.4728 299.7050 -183728.1763 -149311.0943 298.1891 -72.1852 -48.7528 558677.5177 -6.0088 -5.9901 PRESSURE: 1572800 -67.7452 106.509 72.7592 106.509 -239.927 -93.8513 72.7606 -93.8503 -218.35 GPRESSURE: 1572800 -26.7952 89.3156 95.1615 145.03 -240.484 -80.8136 85.8581 -62.7689 -160.85 PRESSAVG: 1572800 74.0818 70.733 -1.38348 70.7331 4.43399 -36.6443 -1.38339 -36.6444 -118.543 GPRESSAVG: 1572800 73.4754 68.7487 -1.79034 69.7206 4.49376 -36.2528 -2.97522 -35.5298 -117.793 TIMING: 1572800 CPU: 4560.53, 0.00290411/step Wall: 4560.53, 0.00290411/step, 2.76471 hours remaining, 210.214844 MB of memory in use. ENERGY: 1572800 799.3741 2083.1181 1928.5833 113.2323 -206141.4692 17720.2292 0.0000 0.0000 34273.5711 -149223.3611 299.3196 -183496.9322 -149127.1417 298.6645 -175.3407 -142.7098 559450.1839 -13.3424 -13.2746 PRESSURE: 1573000 5.32803 90.4356 -182.89 90.4355 -178.41 -93.9839 -182.892 -93.985 -186.994 GPRESSURE: 1573000 -7.51456 114.965 -135.538 50.1374 -116.076 -67.3365 -231.221 -49.8773 -142.767 PRESSAVG: 1573000 99.0931 14.6634 -26.6679 14.6634 -43.9165 9.38147 -26.6679 9.38149 -53.8976 GPRESSAVG: 1573000 100.455 15.6686 -26.6073 13.0733 -44.5802 8.88646 -25.5862 9.59264 -54.1117 TIMING: 1573000 CPU: 4561.11, 0.00290234/step Wall: 4561.11, 0.00290234/step, 2.76287 hours remaining, 210.214844 MB of memory in use. ENERGY: 1573000 739.7583 2110.5270 1930.8863 114.3943 -206295.1292 17812.8993 0.0000 0.0000 34114.4107 -149472.2532 297.9296 -183586.6639 -149371.9632 298.4450 -120.0253 -88.7860 558114.7080 0.4263 0.5877 PRESSURE: 1573200 338.317 -55.8947 163.866 -55.895 226.215 45.261 163.866 45.2606 112.101 GPRESSURE: 1573200 372.195 -31.3344 79.8762 -17.7813 284.208 47.9436 267.588 93.1701 114.165 PRESSAVG: 1573200 44.5239 -14.4695 16.5745 -14.4695 8.16136 18.7526 16.5745 18.7527 -63.5025 GPRESSAVG: 1573200 45.1873 -11.7646 16.9993 -15.2405 7.68318 18.972 16.3336 19.8728 -63.1617 TIMING: 1573200 CPU: 4561.69, 0.00292997/step Wall: 4561.69, 0.00292997/step, 2.789 hours remaining, 210.214844 MB of memory in use. ENERGY: 1573200 721.6022 2115.7167 1933.0438 112.5783 -206483.4958 18080.8498 0.0000 0.0000 34167.1353 -149352.5698 298.3901 -183519.7050 -149253.7375 298.4409 225.5444 256.8562 556382.6969 -3.6057 -3.4304 PRESSURE: 1573400 -16.1225 -72.1085 6.89022 -72.1077 -3.39671 -71.2469 6.89078 -71.2462 -83.1906 GPRESSURE: 1573400 33.2208 0.315301 29.5948 -90.6166 14.9182 -66.6777 6.30521 -77.8932 -47.9129 PRESSAVG: 1573400 47.7948 -2.21142 27.6778 -2.21135 -28.5665 14.7432 27.6778 14.7432 -24.3451 GPRESSAVG: 1573400 47.6479 -3.67015 29.1889 1.95762 -28.1796 15.8736 25.9807 15.0007 -25.1235 TIMING: 1573400 CPU: 4562.28, 0.00292999/step Wall: 4562.28, 0.00292999/step, 2.78886 hours remaining, 210.214844 MB of memory in use. ENERGY: 1573400 743.2157 2111.5274 1942.0839 115.6393 -206099.9413 17649.8676 0.0000 0.0000 34138.6711 -149398.9363 298.1415 -183537.6075 -149299.9261 298.6646 -34.2366 0.0754 556706.8248 -1.7056 -1.8851 PRESSURE: 1573600 -16.6338 26.6244 171.623 26.6234 -59.1532 25.3467 171.623 25.3468 78.4354 GPRESSURE: 1573600 33.8619 62.5206 151.25 -30.2456 -49.2964 -20.2858 176.8 80.8396 111.578 PRESSAVG: 1573600 43.5489 -5.97606 -19.6532 -5.97608 37.5611 2.85898 -19.6532 2.85896 -56.0443 GPRESSAVG: 1573600 43.5862 -8.3137 -22.0002 -5.55693 38.1055 1.09737 -19.0132 2.69445 -56.5609 TIMING: 1573600 CPU: 4562.86, 0.00292091/step Wall: 4562.86, 0.00292091/step, 2.78005 hours remaining, 210.214844 MB of memory in use. ENERGY: 1573600 723.2483 2093.3550 1919.1668 104.7656 -205822.7776 17627.1690 0.0000 0.0000 34024.6282 -149330.4447 297.1455 -183355.0729 -149239.4209 298.9060 0.8828 32.0479 557187.0671 8.3552 8.3769 PRESSURE: 1573800 177.39 30.2048 48.5172 30.2057 -123.233 -172.31 48.5171 -172.31 22.0932 GPRESSURE: 1573800 197.782 -0.588291 84.4889 3.86061 -36.0617 -188.565 32.7448 -84.146 16.7212 PRESSAVG: 1573800 -2.79188 23.6442 -0.549587 23.6442 -13.6477 7.72014 -0.549671 7.72022 12.8528 GPRESSAVG: 1573800 -3.78555 22.3912 -0.151926 23.7232 -12.9827 6.91561 -0.114704 7.91046 13.1698 TIMING: 1573800 CPU: 4563.45, 0.00291883/step Wall: 4563.45, 0.00291883/step, 2.77792 hours remaining, 210.214844 MB of memory in use. ENERGY: 1573800 722.4901 2091.1060 1927.1699 110.3045 -206629.7054 17968.3368 0.0000 0.0000 34295.0016 -149515.2965 299.5068 -183810.2981 -149419.0114 298.6534 25.4168 59.4805 558098.2817 -1.1956 -1.1995 PRESSURE: 1574000 -267.255 58.8845 -147.186 58.8851 146.773 105.288 -147.187 105.287 143.568 GPRESSURE: 1574000 -168.629 -17.9432 -196.799 41.0043 162.318 130.495 -156.161 10.2475 124.319 PRESSAVG: 1574000 -23.1035 56.473 -15.418 56.473 -46.0711 -58.4995 -15.4179 -58.4995 9.95168 GPRESSAVG: 1574000 -23.4685 56.3081 -13.1501 54.2688 -45.8541 -56.1961 -15.0155 -59.8669 10.0033 TIMING: 1574000 CPU: 4564.03, 0.00288957/step Wall: 4564.03, 0.00288957/step, 2.74991 hours remaining, 210.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1574000 740.8279 2114.4030 1962.6747 127.3741 -206463.1489 17815.6764 0.0000 0.0000 34223.9972 -149478.1956 298.8867 -183702.1928 -149387.4031 298.0866 7.6953 39.3358 556561.1200 -19.7410 -19.7731 PRESSURE: 1574200 -161.866 -111.389 -4.93123 -111.39 -175.181 -178.712 -4.9321 -178.713 -95.9389 GPRESSURE: 1574200 -123.646 -137.374 -107.985 -115.176 -151.011 -181.759 90.329 -91.9513 -76.8249 PRESSAVG: 1574200 -52.1159 -2.56791 -24.0986 -2.56798 10.1225 24.8892 -24.0986 24.8892 0.318811 GPRESSAVG: 1574200 -51.2302 -0.765311 -27.5308 -1.73951 9.49345 24.6166 -21.9023 25.4352 0.162169 TIMING: 1574200 CPU: 4564.6, 0.00288528/step Wall: 4564.6, 0.00288528/step, 2.74566 hours remaining, 210.214844 MB of memory in use. ENERGY: 1574200 770.5954 2060.8018 1945.8142 120.3276 -206390.6670 17746.6637 0.0000 0.0000 34356.3981 -149390.0663 300.0430 -183746.4644 -149302.1812 298.7755 -144.3288 -117.1608 557371.9162 -13.8915 -13.8582 PRESSURE: 1574400 -61.7265 -86.0614 -65.9062 -86.0623 -91.64 -29.3767 -65.9066 -29.377 201.039 GPRESSURE: 1574400 0.0238698 -53.4035 -65.0312 -48.0677 -22.8541 12.1256 33.6275 -5.75062 158.44 PRESSAVG: 1574400 -14.4321 -35.0623 18.8775 -35.0624 7.28127 8.76556 18.8774 8.76553 -5.01908 GPRESSAVG: 1574400 -15.0358 -33.4752 21.9501 -35.3882 7.6795 8.63046 16.1185 8.6366 -4.30399 TIMING: 1574400 CPU: 4565.18, 0.00287635/step Wall: 4565.18, 0.00287635/step, 2.73701 hours remaining, 210.214844 MB of memory in use. ENERGY: 1574400 747.4478 2076.1091 1945.7788 118.8407 -206295.7105 17634.2895 0.0000 0.0000 34315.5031 -149457.7416 299.6858 -183773.2447 -149358.2765 298.7624 15.8908 45.2032 555974.0856 -4.0566 -3.8868 PRESSURE: 1574600 55.4344 77.4498 155.389 77.4503 -128.139 -45.0347 155.388 -45.033 -73.6592 GPRESSURE: 1574600 78.0352 107.05 147.304 101.415 -97.4627 -105.165 188.552 45.1834 -41.7812 PRESSAVG: 1574600 -40.2394 -11.6324 -5.97599 -11.6324 7.97156 4.87333 -5.97592 4.87338 69.1725 GPRESSAVG: 1574600 -39.9525 -11.3911 -6.33271 -12.4867 7.94775 2.71146 -5.09735 5.69712 68.145 TIMING: 1574600 CPU: 4565.76, 0.00290524/step Wall: 4565.76, 0.00290524/step, 2.76434 hours remaining, 210.214844 MB of memory in use. ENERGY: 1574600 775.1277 2100.4644 1962.7499 117.2808 -206400.8251 17790.2319 0.0000 0.0000 34449.1500 -149205.8204 300.8530 -183654.9705 -149109.0294 299.4112 -48.7879 -20.4029 557272.0626 12.3015 12.0468 PRESSURE: 1574800 43.9 -59.906 -207.749 -59.906 -112.332 -11.1669 -207.749 -11.1669 -136.029 GPRESSURE: 1574800 52.491 -89.3882 -213.686 31.2748 -96.2782 14.844 -109.798 -34.164 -67.0805 PRESSAVG: 1574800 45.2494 37.4754 -5.10966 37.4754 -24.4889 55.3941 -5.10974 55.3942 -22.6628 GPRESSAVG: 1574800 44.7473 32.8448 -6.1719 39.5385 -25.3627 56.1716 -5.70888 55.3153 -20.7653 TIMING: 1574800 CPU: 4566.34, 0.00290799/step Wall: 4566.34, 0.00290799/step, 2.76679 hours remaining, 210.214844 MB of memory in use. ENERGY: 1574800 753.7885 2131.2422 1956.8512 117.7177 -206245.6419 17846.0711 0.0000 0.0000 34125.7405 -149314.2307 298.0286 -183439.9712 -149226.5530 298.6273 -68.1534 -36.9559 558626.7349 -0.6341 -0.4602 PRESSURE: 1575000 148.785 -148.435 -49.1872 -148.435 190.849 -171.582 -49.1885 -171.582 -9.1187 GPRESSURE: 1575000 152.241 -184.573 -84.3395 -190.063 260.119 -166.976 -13.7083 -204.641 11.7214 PRESSAVG: 1575000 -24.1809 -1.37551 -0.510838 -1.3754 -32.7513 13.8655 -0.510912 13.8654 50.1934 GPRESSAVG: 1575000 -23.8488 0.128199 0.661378 -3.1959 -31.796 14.1496 -0.804421 13.9576 49.0113 TIMING: 1575000 CPU: 4566.93, 0.00293122/step Wall: 4566.93, 0.00293122/step, 2.78873 hours remaining, 210.214844 MB of memory in use. ENERGY: 1575000 723.0303 2138.0109 1932.9275 110.7956 -206478.0731 17949.6360 0.0000 0.0000 34115.8131 -149507.8597 297.9419 -183623.6728 -149420.4495 298.6922 110.1718 141.3603 558141.2634 -2.2462 -2.2112 PRESSURE: 1575200 -279.093 84.677 57.6176 84.6754 -86.1768 -130.28 57.6183 -130.281 108.681 GPRESSURE: 1575200 -256.107 20.0223 26.6753 106.034 -89.9083 -104.215 138.625 -98.0456 187.136 PRESSAVG: 1575200 0.848075 13.3674 -19.0311 13.3673 33.3237 -61.8517 -19.0311 -61.8517 -31.1682 GPRESSAVG: 1575200 0.823446 15.8984 -22.0354 12.6754 32.4153 -60.9875 -17.2524 -61.1321 -30.5694 TIMING: 1575200 CPU: 4567.51, 0.00293218/step Wall: 4567.51, 0.00293218/step, 2.78948 hours remaining, 210.214844 MB of memory in use. ENERGY: 1575200 728.4367 2134.3736 1959.0021 113.9802 -206204.8263 17630.6649 0.0000 0.0000 34078.0729 -149560.2958 297.6123 -183638.3687 -149458.8389 297.8269 -85.5298 -52.9597 558394.8305 1.0012 0.8898 PRESSURE: 1575400 -114.02 -98.3714 19.8326 -98.3715 187.84 -55.4747 19.8322 -55.4748 34.7671 GPRESSURE: 1575400 -51.6495 -86.5686 10.547 -85.7942 249.334 -39.0817 41.8861 -60.6932 6.44528 PRESSAVG: 1575400 -28.8965 -8.94604 -20.3896 -8.94613 -18.2568 -25.8329 -20.3897 -25.8329 3.35398 GPRESSAVG: 1575400 -27.8202 -11.5198 -19.787 -7.25578 -17.6425 -26.214 -21.9055 -26.0437 2.40773 TIMING: 1575400 CPU: 4568.09, 0.0028984/step Wall: 4568.09, 0.0028984/step, 2.75718 hours remaining, 210.339844 MB of memory in use. ENERGY: 1575400 709.9951 2051.0217 1973.2046 105.8353 -206728.3051 17905.7527 0.0000 0.0000 34479.0209 -149503.4747 301.1139 -183982.4956 -149403.4405 298.7822 36.1958 68.0431 556995.6538 -14.5998 -14.3516 PRESSURE: 1575600 -134.391 -10.9874 -8.2838 -10.9873 97.012 99.1232 -8.28395 99.1241 -200.456 GPRESSURE: 1575600 -107.454 -53.1974 -48.492 17.6159 166.17 172.775 67.4574 45.5641 -197.282 PRESSAVG: 1575600 5.35633 63.8265 -19.5347 63.8266 55.0067 -12.4866 -19.5347 -12.4865 4.67607 GPRESSAVG: 1575600 4.39672 61.6604 -19.3932 65.1627 55.6329 -14.1811 -17.9639 -12.4285 5.02639 TIMING: 1575600 CPU: 4568.67, 0.00290133/step Wall: 4568.67, 0.00290133/step, 2.75981 hours remaining, 210.339844 MB of memory in use. ENERGY: 1575600 727.4560 2096.0752 1960.4563 107.4423 -206122.4637 17560.4516 0.0000 0.0000 34129.6863 -149540.8959 298.0630 -183670.5822 -149448.1420 298.4164 -79.2783 -46.1886 556720.5471 21.6797 21.6853 PRESSURE: 1575800 387.021 -58.1543 -52.086 -58.1534 180.792 -79.0332 -52.0847 -79.0339 521.341 GPRESSURE: 1575800 388.246 -54.8767 47.3606 -17.2884 246.601 -129.611 -4.96879 -44.2354 544.677 PRESSAVG: 1575800 -54.4685 -18.3555 12.2257 -18.3556 30.21 14.2542 12.2258 14.2544 66.3909 GPRESSAVG: 1575800 -54.9339 -14.5218 11.5336 -20.887 28.6041 16.3707 10.9852 11.7426 67.6223 TIMING: 1575800 CPU: 4569.25, 0.00288946/step Wall: 4569.25, 0.00288946/step, 2.74836 hours remaining, 210.339844 MB of memory in use. ENERGY: 1575800 775.7405 2098.1906 1988.1607 114.2904 -207318.0616 18439.0043 0.0000 0.0000 34332.3575 -149570.3175 299.8330 -183902.6750 -149476.6271 298.2969 363.0512 393.1748 555500.0587 14.0441 13.7642 PRESSURE: 1576000 -145.249 -193.192 74.0314 -193.193 110.579 138.645 74.0316 138.644 290.42 GPRESSURE: 1576000 -156.801 -139.903 63.1293 -241.878 157.76 37.5546 133.254 144.298 336.889 PRESSAVG: 1576000 -12.4956 2.76323 -24.3713 2.76328 -60.9533 29.5558 -24.3713 29.5557 59.2898 GPRESSAVG: 1576000 -12.462 0.971419 -23.2836 4.00216 -60.2692 28.9095 -24.771 30.413 58.6916 TIMING: 1576000 CPU: 4569.83, 0.00288217/step Wall: 4569.83, 0.00288217/step, 2.74126 hours remaining, 210.339844 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: 1576000 737.2501 2109.8290 1928.4256 116.5896 -206894.4500 18102.5406 0.0000 0.0000 34251.8417 -149647.9735 299.1299 -183899.8152 -149547.3835 298.6770 85.2501 112.6162 556336.2406 -4.7197 -4.6799 PRESSURE: 1576200 13.9084 133.555 -107.44 133.555 -485.161 27.4712 -107.44 27.4704 23.8757 GPRESSURE: 1576200 35.6605 107.442 -63.6866 181.452 -450.684 10.4238 -89.2755 101.266 66.0759 PRESSAVG: 1576200 4.28801 47.6585 13.5864 47.6586 -9.01639 24.1249 13.5864 24.125 28.387 GPRESSAVG: 1576200 4.10302 46.4986 11.3001 48.9175 -9.87428 26.8506 13.8189 24.0243 29.6728 TIMING: 1576200 CPU: 4570.41, 0.00290827/step Wall: 4570.41, 0.00290827/step, 2.76593 hours remaining, 210.339844 MB of memory in use. ENERGY: 1576200 730.1756 2073.7483 1957.1906 107.6256 -206326.8342 17831.3962 0.0000 0.0000 34123.8411 -149502.8569 298.0120 -183626.6980 -149412.6872 298.2814 -149.1256 -116.3158 558206.6570 7.8862 7.9672 LDB: ============= START OF LOAD BALANCING ============== 4573.79 LDB: ============== END OF LOAD BALANCING =============== 4573.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4573.79 LDB: ============= START OF LOAD BALANCING ============== 4574.08 LDB: Largest compute 4792 load 0.023205 is 19.7% of average load 0.118077 LDB: Average compute 0.001712 is 1.5% of average load 0.118077 LDB: TIME 4574.09 LOAD: AVG 0.118077 MAX 0.182103 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.359 MB LDB: TIME 4574.09 LOAD: AVG 0.118077 MAX 0.182103 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.359 MB LDB: TIME 4574.09 LOAD: AVG 0.118077 MAX 0.182103 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.359 MB LDB: ============== END OF LOAD BALANCING =============== 4574.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4574.09 PRESSURE: 1576400 31.7708 256.931 122.41 256.931 48.0097 123.424 122.409 123.424 268.24 GPRESSURE: 1576400 103.8 234.112 182.407 336.005 57.0432 133.894 67.3047 167.861 282.329 PRESSAVG: 1576400 0.957873 47.9725 -32.5243 47.9725 26.2855 10.1395 -32.5244 10.1395 -4.66718 GPRESSAVG: 1576400 0.671192 49.1265 -29.6411 45.9229 26.6855 6.75307 -31.5556 10.7624 -4.68648 TIMING: 1576400 CPU: 4571, 0.0029416/step Wall: 4571, 0.0029416/step, 2.79746 hours remaining, 207.589844 MB of memory in use. ENERGY: 1576400 752.6326 2034.0563 1946.8037 115.7500 -206547.4250 17990.2330 0.0000 0.0000 34261.3273 -149446.6221 299.2127 -183707.9494 -149354.8402 299.2111 116.0070 147.7239 555895.1257 7.5254 7.5567 PRESSURE: 1576600 -58.3901 -38.7389 -50.5562 -38.738 -73.1493 143.911 -50.5571 143.909 -24.9196 GPRESSURE: 1576600 -21.2923 -40.3071 -25.47 7.67755 -8.50282 82.1601 -14.9374 114.42 -41.5976 PRESSAVG: 1576600 28.4824 57.8138 -49.9226 57.8138 -6.15301 72.4608 -49.9227 72.461 52.2664 GPRESSAVG: 1576600 29.2042 59.4169 -53.6218 58.1837 -4.39332 74.4437 -50.0228 71.3647 50.2772 TIMING: 1576600 CPU: 4571.57, 0.00287531/step Wall: 4571.57, 0.00287531/step, 2.73426 hours remaining, 207.589844 MB of memory in use. ENERGY: 1576600 744.7718 2139.1371 1953.1202 111.6140 -206128.4040 17656.2034 0.0000 0.0000 34072.7420 -149450.8155 297.5657 -183523.5575 -149359.1383 298.9093 -52.1530 -23.7976 558296.8400 24.8653 25.0293 PRESSURE: 1576800 -243.755 -75.9759 137.26 -75.9742 -81.0293 37.2689 137.26 37.2684 -65.8769 GPRESSURE: 1576800 -195.123 13.2209 37.2144 -113.085 -71.6864 14.3944 265.815 35.9739 -32.6212 PRESSAVG: 1576800 -23.1178 34.774 26.6927 34.7739 32.7022 -48.9889 26.6926 -48.989 25.4747 GPRESSAVG: 1576800 -23.3374 34.2399 29.2696 34.7606 32.024 -50.446 25.9966 -47.4555 26.366 TIMING: 1576800 CPU: 4572.15, 0.00287593/step Wall: 4572.15, 0.00287593/step, 2.73469 hours remaining, 207.589844 MB of memory in use. ENERGY: 1576800 746.9302 2066.9511 1944.6221 107.0905 -205924.3935 17572.3404 0.0000 0.0000 34085.8166 -149400.6426 297.6799 -183486.4592 -149303.5345 298.7523 -130.2206 -99.8103 557870.4878 11.6864 11.6842 PRESSURE: 1577000 77.8624 86.8359 96.0038 86.8364 -227.931 -35.197 96.0038 -35.1972 -187.061 GPRESSURE: 1577000 55.4243 38.6876 78.761 59.6313 -154.567 8.88578 94.898 -48.0907 -136.992 PRESSAVG: 1577000 27.5517 29.7685 26.5356 29.7685 -39.647 -6.14048 26.5356 -6.1405 32.2641 GPRESSAVG: 1577000 27.1414 31.3993 26.2523 27.1748 -39.7457 -4.40713 25.9301 -7.38803 32.6072 TIMING: 1577000 CPU: 4572.73, 0.00290087/step Wall: 4572.73, 0.00290087/step, 2.75825 hours remaining, 207.710938 MB of memory in use. ENERGY: 1577000 731.4755 2115.7698 1932.9823 112.1834 -206137.1964 17708.6170 0.0000 0.0000 34179.0097 -149357.1587 298.4938 -183536.1684 -149257.9057 298.5608 -112.3766 -78.7114 557920.6008 6.7229 6.6677 PRESSURE: 1577200 94.2712 -34.2694 -98.0608 -34.2689 -93.6492 -24.2082 -98.0617 -24.2106 78.5477 GPRESSURE: 1577200 140.342 -3.45279 -119.709 -77.8917 -67.2903 57.4898 -123.842 -33.0485 100.389 PRESSAVG: 1577200 -7.75371 62.5426 -73.1203 62.5426 -53.1585 22.199 -73.1203 22.1989 71.3854 GPRESSAVG: 1577200 -9.0816 60.3451 -73.7136 64.1772 -52.1662 20.7237 -71.7673 22.3203 71.5256 TIMING: 1577200 CPU: 4573.3, 0.002888/step Wall: 4573.3, 0.002888/step, 2.74585 hours remaining, 207.710938 MB of memory in use. ENERGY: 1577200 764.0284 2028.5391 1931.9851 120.3067 -206321.7591 17875.1954 0.0000 0.0000 34363.1986 -149238.5058 300.1024 -183601.7044 -149139.1696 299.1011 26.3899 57.8136 557054.7042 3.4911 3.4259 PRESSURE: 1577400 -87.0432 -147.362 -24.2722 -147.363 -254.736 105.722 -24.2732 105.722 101.699 GPRESSURE: 1577400 -67.2123 -164.349 6.66183 -148.126 -204.591 121.254 -57.919 155.639 126.946 PRESSAVG: 1577400 47.9855 -37.9171 16.1339 -37.9172 -85.9582 48.4162 16.1339 48.4162 33.5115 GPRESSAVG: 1577400 47.764 -36.7981 17.5482 -37.7527 -86.6108 49.0299 15.4884 49.7556 35.0607 TIMING: 1577400 CPU: 4573.88, 0.0028934/step Wall: 4573.88, 0.0028934/step, 2.75082 hours remaining, 207.710938 MB of memory in use. ENERGY: 1577400 752.4379 2049.6321 1968.5780 120.7959 -206205.4054 17687.5937 0.0000 0.0000 34211.2799 -149415.0880 298.7756 -183626.3679 -149321.6540 298.4431 -80.0269 -48.2856 558076.5918 -1.4871 -1.2621 PRESSURE: 1577600 295.855 112.85 0.389395 112.85 355.662 104.819 0.387673 104.819 -108.932 GPRESSURE: 1577600 330.625 174.408 24.889 81.0602 383.441 76.1784 -4.07621 82.8855 -58.1571 PRESSAVG: 1577600 -24.821 3.49844 -11.3543 3.49845 24.3537 8.57804 -11.3544 8.57808 3.99558 GPRESSAVG: 1577600 -23.1275 1.54144 -13.0409 5.04963 23.9424 8.88712 -9.81407 6.47514 2.54645 TIMING: 1577600 CPU: 4574.46, 0.00287893/step Wall: 4574.46, 0.00287893/step, 2.7369 hours remaining, 207.710938 MB of memory in use. ENERGY: 1577600 742.0712 2041.0581 1956.9061 107.2082 -206810.9323 18225.4452 0.0000 0.0000 34287.2087 -149451.0348 299.4387 -183738.2435 -149356.5593 298.0708 180.8619 218.6361 557666.2930 1.1761 1.1204 PRESSURE: 1577800 2.17793 25.5599 -142.262 25.5588 -223.376 -104.226 -142.261 -104.225 -186.246 GPRESSURE: 1577800 53.9188 34.5334 -155.944 24.0153 -204.003 -83.6577 -31.9911 -159.192 -156.819 PRESSAVG: 1577800 12.4635 -5.15404 29.8552 -5.15403 13.6544 12.2242 29.8551 12.2241 -8.03712 GPRESSAVG: 1577800 13.0354 -4.99681 28.9738 -4.30853 12.8295 10.2685 30.3189 15.2832 -8.47905 TIMING: 1577800 CPU: 4575.04, 0.00289284/step Wall: 4575.04, 0.00289284/step, 2.74996 hours remaining, 207.710938 MB of memory in use. ENERGY: 1577800 722.1280 2078.3490 1932.4272 111.5838 -205945.7775 17627.3390 0.0000 0.0000 34126.3494 -149347.6010 298.0339 -183473.9504 -149256.0235 298.8591 -135.8146 -102.3013 558404.5196 6.0269 5.7953 PRESSURE: 1578000 -198.556 -6.68428 64.0916 -6.68354 -253.685 38.0507 64.0911 38.0476 -400.261 GPRESSURE: 1578000 -175.7 -93.969 95.6251 -8.14296 -243.181 41.8122 70.6641 127.433 -328.848 PRESSAVG: 1578000 -34.5117 -8.70056 56.066 -8.70054 29.997 17.8385 56.0659 17.8386 -1.49709 GPRESSAVG: 1578000 -34.8516 -9.55922 57.6284 -9.63037 30.613 18.0599 54.4187 18.5338 -2.16165 TIMING: 1578000 CPU: 4575.62, 0.00290343/step Wall: 4575.62, 0.00290343/step, 2.75987 hours remaining, 207.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1578000 729.8479 1992.1688 1936.1688 107.9001 -205919.1031 17546.5540 0.0000 0.0000 34155.5593 -149450.9042 298.2890 -183606.4635 -149350.6642 298.2021 -284.1674 -249.2431 558777.8512 -2.0040 -2.1334 PRESSURE: 1578200 24.6589 -13.1119 -66.2366 -13.1126 -9.4268 -97.1039 -66.237 -97.1055 286.95 GPRESSURE: 1578200 66.1139 91.348 -16.1826 13.7983 45.5485 -79.6007 -68.5638 -72.9635 293.978 PRESSAVG: 1578200 -22.1303 40.0718 31.4232 40.0717 -28.0919 31.9985 31.4231 31.9984 32.7365 GPRESSAVG: 1578200 -21.5962 41.937 31.8604 39.5121 -29.6924 32.2197 30.9737 31.5608 33.9017 TIMING: 1578200 CPU: 4576.2, 0.00290115/step Wall: 4576.2, 0.00290115/step, 2.75754 hours remaining, 207.710938 MB of memory in use. ENERGY: 1578200 726.6414 2041.0175 1953.3621 112.3679 -206338.4819 17865.9684 0.0000 0.0000 34270.1429 -149368.9817 299.2897 -183639.1246 -149268.6727 298.6132 100.7275 135.2134 556948.9819 -5.8286 -5.7956 PRESSURE: 1578400 -222.051 15.1588 -145.314 15.1591 -51.5258 48.3941 -145.313 48.3945 -280.408 GPRESSURE: 1578400 -177.829 65.3585 -103.404 22.7914 -45.2075 -15.5755 -137.726 83.27 -241.061 PRESSAVG: 1578400 -34.214 7.36029 -28.1368 7.3603 16.0279 32.4862 -28.1367 32.4862 -9.73946 GPRESSAVG: 1578400 -34.0773 8.51087 -26.8933 5.79115 16.015 34.9912 -26.7383 29.4726 -9.47859 TIMING: 1578400 CPU: 4576.78, 0.00291581/step Wall: 4576.78, 0.00291581/step, 2.77132 hours remaining, 207.710938 MB of memory in use. ENERGY: 1578400 772.4249 2046.8035 1943.2053 129.4138 -205992.8597 17604.3945 0.0000 0.0000 34112.1209 -149384.4968 297.9096 -183496.6177 -149273.9989 298.6078 -184.6615 -154.6992 559611.1560 -9.3085 -9.1803 PRESSURE: 1578600 -144.758 19.5203 -152.931 19.5191 -140.344 -198.393 -152.931 -198.394 -102.208 GPRESSURE: 1578600 -159.822 20.3969 -202.23 -6.61011 -84.193 -176.622 -160.256 -110.643 -42.6925 PRESSAVG: 1578600 113.387 33.9553 -6.68371 33.9552 -99.8356 13.1592 -6.68373 13.1593 25.7673 GPRESSAVG: 1578600 112.367 31.0529 -7.64142 36.4404 -98.7092 11.5687 -9.22197 15.1017 26.1227 TIMING: 1578600 CPU: 4577.36, 0.00290761/step Wall: 4577.36, 0.00290761/step, 2.76336 hours remaining, 207.710938 MB of memory in use. ENERGY: 1578600 763.3716 2115.7006 1964.7902 107.7947 -206164.8605 17654.6380 0.0000 0.0000 34263.7314 -149294.8340 299.2337 -183558.5654 -149199.4454 299.6410 -129.1031 -95.5692 557995.8378 13.1062 13.2603 PRESSURE: 1578800 217.389 55.8011 64.7588 55.7994 126.454 -3.52524 64.7584 -3.5237 326.095 GPRESSURE: 1578800 324.587 11.0159 -5.33601 -3.67053 93.0522 -3.06676 23.3937 83.5631 349.61 PRESSAVG: 1578800 -42.4911 -4.28415 -41.1637 -4.28411 -37.1864 -82.1801 -41.1637 -82.1801 63.0245 GPRESSAVG: 1578800 -41.8855 -4.48978 -41.6676 -5.50403 -37.297 -84.1836 -39.3774 -81.5173 62.5373 TIMING: 1578800 CPU: 4577.94, 0.00288099/step Wall: 4577.94, 0.00288099/step, 2.7379 hours remaining, 207.710938 MB of memory in use. ENERGY: 1578800 714.5753 2107.7801 1972.6988 119.3575 -206303.1909 18050.7196 0.0000 0.0000 34210.1742 -149127.8854 298.7660 -183338.0596 -149024.1565 299.3963 223.3127 255.7497 557901.0705 -5.5510 -5.5484 PRESSURE: 1579000 14.8111 10.2125 -36.7405 10.2129 223.941 6.37344 -36.7408 6.37434 267.587 GPRESSURE: 1579000 68.7137 45.0729 -29.141 -48.7538 251.818 109.464 -73.4896 -50.9086 270.15 PRESSAVG: 1579000 -24.3859 -11.5103 27.0065 -11.5102 -63.6685 -8.52823 27.0065 -8.52826 91.3542 GPRESSAVG: 1579000 -24.6947 -11.1454 27.498 -9.9553 -63.3925 -3.85163 29.3286 -13.2014 91.2679 TIMING: 1579000 CPU: 4578.51, 0.00287243/step Wall: 4578.51, 0.00287243/step, 2.7296 hours remaining, 207.710938 MB of memory in use. ENERGY: 1579000 748.0534 2081.2081 1942.7991 120.2910 -206592.9982 18214.2764 0.0000 0.0000 34247.6139 -149238.7563 299.0929 -183486.3702 -149140.7195 299.5462 168.7797 196.8941 558245.6106 1.1000 1.0602 PRESSURE: 1579200 -180.373 32.696 121.516 32.6955 106.235 116.136 121.517 116.136 114.54 GPRESSURE: 1579200 -166.806 -10.9233 97.2976 -34.5941 130.655 137.578 189.165 181.859 171.063 PRESSAVG: 1579200 -23.3239 -13.1013 26.4938 -13.1014 -24.6316 1.28504 26.4939 1.28506 48.6561 GPRESSAVG: 1579200 -22.1067 -13.4161 26.3335 -14.7937 -25.7593 -2.17445 26.0383 4.57649 48.5772 TIMING: 1579200 CPU: 4579.09, 0.00289345/step Wall: 4579.09, 0.00289345/step, 2.74942 hours remaining, 207.710938 MB of memory in use. ENERGY: 1579200 805.0532 2072.3514 1982.4019 113.0010 -206797.9715 18191.0097 0.0000 0.0000 34125.2653 -149508.8891 298.0244 -183634.1544 -149421.4588 298.9414 13.4676 44.9711 557397.5411 0.2336 0.2371 PRESSURE: 1579400 -148.193 62.2597 -108.006 62.2599 -42.1898 -60.7556 -108.006 -60.7556 -157.139 GPRESSURE: 1579400 -78.4541 40.9948 -106.43 110.259 -17.3885 -45.6832 -103.403 -79.1313 -166.778 PRESSAVG: 1579400 -43.0278 -14.2614 -42.219 -14.2615 18.9723 39.5604 -42.219 39.5605 75.4948 GPRESSAVG: 1579400 -44.3281 -12.689 -42.9174 -14.1077 19.1761 39.7585 -44.1154 39.9051 76.7515 TIMING: 1579400 CPU: 4579.67, 0.00288798/step Wall: 4579.67, 0.00288798/step, 2.74407 hours remaining, 207.710938 MB of memory in use. ENERGY: 1579400 755.1432 2086.3521 1942.3101 111.6511 -206259.6091 17609.5730 0.0000 0.0000 34371.3594 -149383.2202 300.1736 -183754.5796 -149294.1618 298.5116 -115.8405 -87.5404 558160.1838 17.1464 17.1998 PRESSURE: 1579600 -295.095 39.2868 -33.6996 39.286 -8.76872 -34.2233 -33.6989 -34.2232 15.1562 GPRESSURE: 1579600 -274.518 -9.2865 -90.0252 83.7844 -0.611016 -73.2278 -78.0271 -80.9313 85.0317 PRESSAVG: 1579600 36.8432 -42.9104 -19.7159 -42.9103 -42.6571 -31.1826 -19.7159 -31.1825 32.9599 GPRESSAVG: 1579600 36.3934 -45.8198 -17.8913 -41.2679 -41.4644 -29.3829 -21.8826 -32.892 32.1989 TIMING: 1579600 CPU: 4580.25, 0.00289281/step Wall: 4580.25, 0.00289281/step, 2.74849 hours remaining, 207.710938 MB of memory in use. ENERGY: 1579600 749.6268 2098.6466 1932.8158 123.5679 -206311.3032 17735.9330 0.0000 0.0000 34264.4936 -149406.2196 299.2403 -183670.7131 -149306.3220 299.1871 -96.2357 -63.3656 558136.5866 9.0486 9.0426 PRESSURE: 1579800 146.886 -231.197 94.5559 -231.197 -227.108 55.706 94.5552 55.7062 463.694 GPRESSURE: 1579800 176.306 -196.367 73.6758 -165.109 -177.608 142.007 129.686 69.6456 476.402 PRESSAVG: 1579800 8.15257 25.8698 4.23657 25.8698 -35.4072 20.9368 4.2366 20.937 22.389 GPRESSAVG: 1579800 9.09913 28.6388 2.47523 26.4688 -35.3562 21.2709 7.23189 22.8179 21.0903 TIMING: 1579800 CPU: 4580.83, 0.00288585/step Wall: 4580.83, 0.00288585/step, 2.74172 hours remaining, 207.710938 MB of memory in use. ENERGY: 1579800 761.8594 2066.3318 1947.5393 116.3280 -206812.8605 18107.7313 0.0000 0.0000 34407.6954 -149405.3752 300.4910 -183813.0706 -149307.0844 298.3459 127.8238 158.3668 556343.0532 -1.6219 -1.7222 PRESSURE: 1580000 -17.7556 -94.8284 -0.0228641 -94.8292 52.844 142.166 -0.022833 142.166 52.0826 GPRESSURE: 1580000 -25.7515 -46.7675 -61.9262 -62.4065 102.561 141.296 32.0479 195.055 100.579 PRESSAVG: 1580000 6.70618 28.9129 -32.8268 28.9129 -7.58371 82.0849 -32.8268 82.0849 0.915569 GPRESSAVG: 1580000 6.17329 26.9512 -32.4263 28.1774 -8.07868 79.8003 -33.6191 82.0747 1.93443 TIMING: 1580000 CPU: 4581.4, 0.00287048/step Wall: 4581.4, 0.00287048/step, 2.72696 hours remaining, 207.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1580000 747.5821 2066.2962 1931.4943 120.0853 -206304.9523 17926.0997 0.0000 0.0000 34194.1981 -149319.1966 298.6264 -183513.3947 -149224.3095 298.9660 29.0570 59.1293 556635.7698 0.0127 0.0097 PRESSURE: 1580200 -34.6766 115.044 -103.345 115.043 24.0877 58.6103 -103.345 58.6085 -33.2292 GPRESSURE: 1580200 20.0243 120.371 -117.406 94.2159 32.2082 -51.5291 -64.2485 96.5564 5.68831 PRESSAVG: 1580200 19.9323 -14.9974 8.43122 -14.9974 -81.4551 1.45109 8.43129 1.4511 22.4359 GPRESSAVG: 1580200 20.1104 -12.7571 9.106 -17.3391 -81.2816 0.283524 9.69683 2.40526 22.2293 TIMING: 1580200 CPU: 4581.98, 0.00290065/step Wall: 4581.98, 0.00290065/step, 2.75546 hours remaining, 207.710938 MB of memory in use. ENERGY: 1580200 749.5450 2117.9431 1979.6669 116.3031 -206421.5957 17820.8545 0.0000 0.0000 34214.9510 -149422.3320 298.8077 -183637.2830 -149329.3457 298.6309 -14.6060 19.3070 557282.3531 -13.0290 -12.9807 LDB: ============= START OF LOAD BALANCING ============== 4585.37 LDB: ============== END OF LOAD BALANCING =============== 4585.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4585.37 LDB: ============= START OF LOAD BALANCING ============== 4585.66 LDB: Largest compute 4792 load 0.021367 is 18.1% of average load 0.117992 LDB: Average compute 0.001702 is 1.4% of average load 0.117992 LDB: TIME 4585.66 LOAD: AVG 0.117992 MAX 0.18056 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 4585.66 LOAD: AVG 0.117992 MAX 0.18056 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.855 MB LDB: TIME 4585.66 LOAD: AVG 0.117992 MAX 0.18056 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.855 MB LDB: ============== END OF LOAD BALANCING =============== 4585.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4585.67 PRESSURE: 1580400 -7.28594 -204.547 57.1389 -204.548 -230.404 74.6844 57.1379 74.6841 -34.9531 GPRESSURE: 1580400 -11.5117 -242.718 -19.3639 -148.813 -226.415 98.786 15.677 54.7646 60.0967 PRESSAVG: 1580400 20.3181 -9.30196 -51.7171 -9.30196 -62.6891 29.6621 -51.7171 29.6622 63.65 GPRESSAVG: 1580400 20.364 -12.2896 -52.9908 -5.59717 -62.7575 32.0512 -51.0049 27.4396 63.9528 TIMING: 1580400 CPU: 4582.57, 0.00294483/step Wall: 4582.57, 0.00294483/step, 2.79726 hours remaining, 208.222656 MB of memory in use. ENERGY: 1580400 735.9275 2117.7819 1926.0276 104.5100 -205927.9413 17582.0846 0.0000 0.0000 34197.6968 -149263.9128 298.6570 -183461.6096 -149165.6742 298.9721 -90.8810 -59.2765 557967.1994 7.0930 7.1864 PRESSURE: 1580600 -100.247 58.6645 9.63478 58.6633 -64.2218 48.5043 9.63452 48.5042 -220.135 GPRESSURE: 1580600 -99.1769 29.5107 36.8044 -14.5252 -24.4032 -8.46378 -15.121 33.9974 -168.724 PRESSAVG: 1580600 63.199 -33.5256 -83.3597 -33.5257 -56.179 -17.1865 -83.3598 -17.1866 8.30142 GPRESSAVG: 1580600 61.9162 -29.6053 -80.0554 -36.9539 -55.5104 -15.5796 -87.0576 -17.2739 8.60125 TIMING: 1580600 CPU: 4583.14, 0.00287669/step Wall: 4583.14, 0.00287669/step, 2.73238 hours remaining, 208.222656 MB of memory in use. ENERGY: 1580600 723.6100 2085.3478 1940.0298 103.8573 -206014.5761 17533.7937 0.0000 0.0000 34236.3524 -149391.5851 298.9946 -183627.9375 -149284.9422 299.2614 -128.2011 -97.4348 557982.5355 5.1071 5.0024 PRESSURE: 1580800 -2.37515 -28.263 -209.435 -28.263 -42.9515 -142.826 -209.436 -142.826 -27.2812 GPRESSURE: 1580800 -6.9516 -16.1208 -179.577 -105.112 7.16607 -99.4858 -171.564 -123.167 13.5491 PRESSAVG: 1580800 -20.8715 -49.5106 -28.5641 -49.5105 -50.101 -10.7071 -28.564 -10.7072 50.6319 GPRESSAVG: 1580800 -20.8399 -51.1564 -28.7306 -49.1801 -50.1663 -10.7086 -26.1504 -9.40928 50.7434 TIMING: 1580800 CPU: 4583.72, 0.0028796/step Wall: 4583.72, 0.00287961/step, 2.73499 hours remaining, 208.222656 MB of memory in use. ENERGY: 1580800 719.7154 2070.6738 1951.6966 106.5196 -206127.9050 17771.2128 0.0000 0.0000 34206.7318 -149301.3550 298.7359 -183508.0868 -149203.3975 299.5204 -24.2026 4.5878 558283.0432 -6.7802 -6.7542 PRESSURE: 1581000 275.503 122.654 -30.9588 122.655 347.015 111.026 -30.9588 111.026 383.444 GPRESSURE: 1581000 342.954 143.117 -12.3784 69.5323 390.455 124.437 10.579 123.297 366.927 PRESSAVG: 1581000 -42.2915 -34.8553 -26.7797 -34.8554 -33.1808 50.6117 -26.7797 50.6117 79.9519 GPRESSAVG: 1581000 -41.1654 -34.3229 -29.1265 -33.2443 -33.1325 49.8797 -26.2599 50.4544 78.6107 TIMING: 1581000 CPU: 4584.3, 0.00290514/step Wall: 4584.3, 0.00290514/step, 2.75908 hours remaining, 208.222656 MB of memory in use. ENERGY: 1581000 711.0918 2074.4269 1924.7441 113.0430 -206319.1919 18212.1442 0.0000 0.0000 34253.8020 -149029.9399 299.1470 -183283.7419 -148928.5993 299.0731 335.3209 366.7785 556860.9378 1.4932 1.4376 PRESSURE: 1581200 90.6924 -82.2829 -8.35897 -82.2818 18.3593 48.4626 -8.35947 48.4625 -61.1775 GPRESSURE: 1581200 127.528 -84.4431 47.6133 -40.4322 10.7111 41.063 -48.4703 31.0121 6.51731 PRESSAVG: 1581200 15.253 1.61745 -1.02649 1.61747 -12.0763 -6.23303 -1.02652 -6.23296 15.6271 GPRESSAVG: 1581200 14.5869 1.28544 0.801118 1.24257 -11.726 -5.52468 -2.47714 -7.40003 16.0557 TIMING: 1581200 CPU: 4584.89, 0.00293435/step Wall: 4584.89, 0.00293435/step, 2.78666 hours remaining, 208.222656 MB of memory in use. ENERGY: 1581200 746.5693 2059.8993 1951.7884 113.3744 -206145.7872 17919.8772 0.0000 0.0000 34097.5656 -149256.7131 297.7825 -183354.2787 -149161.1580 298.6067 15.9581 48.2520 557668.2518 6.2680 6.3055 PRESSURE: 1581400 -172.687 -112.423 194.533 -112.422 -172.755 19.2982 194.532 19.2989 -178.131 GPRESSURE: 1581400 -148.255 -20.4106 213.567 -103.744 -128.689 -2.39142 240.37 22.5335 -146.327 PRESSAVG: 1581400 -11.1987 6.58938 -4.75522 6.58932 15.3072 93.2459 -4.75527 93.2458 16.3122 GPRESSAVG: 1581400 -10.2516 7.28134 -5.09235 4.94187 14.9674 90.5402 -5.97706 95.0272 15.6566 TIMING: 1581400 CPU: 4585.48, 0.00294751/step Wall: 4585.48, 0.00294751/step, 2.79899 hours remaining, 208.222656 MB of memory in use. ENERGY: 1581400 750.9041 2070.6253 1913.4638 110.9350 -205910.3226 17671.5487 0.0000 0.0000 34230.4998 -149162.3459 298.9435 -183392.8457 -149066.3724 298.8082 -174.5243 -141.0901 558996.6160 6.8069 6.7908 PRESSURE: 1581600 22.5981 -73.8922 134.463 -73.8925 147.259 -24.3718 134.462 -24.3721 334.599 GPRESSURE: 1581600 81.1865 -72.6546 147.386 -98.3963 169.487 -39.9677 235.806 -8.62441 347.182 PRESSAVG: 1581600 53.7169 -10.9043 29.3409 -10.9043 -12.6455 58.331 29.341 58.3311 -28.9763 GPRESSAVG: 1581600 53.7316 -11.9054 29.1046 -8.35791 -12.7824 61.3717 29.6515 55.4172 -28.8255 TIMING: 1581600 CPU: 4586.06, 0.00290937/step Wall: 4586.06, 0.00290937/step, 2.76261 hours remaining, 208.222656 MB of memory in use. ENERGY: 1581600 781.8026 2103.4489 1909.8857 107.0576 -206365.0978 18061.8671 0.0000 0.0000 34236.0688 -149164.9671 298.9921 -183401.0359 -149074.7152 299.1572 168.1519 199.2852 555404.7312 4.0317 4.0412 PRESSURE: 1581800 -86.2335 127.228 82.5002 127.227 -150.622 -66.592 82.5015 -66.592 4.46469 GPRESSURE: 1581800 -14.1519 47.0059 113.817 109.848 -113.23 -127.103 65.3308 -97.3255 8.73281 PRESSAVG: 1581800 -25.2395 -40.3732 38.9262 -40.3732 27.7906 20.3116 38.9261 20.3115 15.4938 GPRESSAVG: 1581800 -25.1826 -38.4946 37.6457 -43.1968 27.7269 19.7082 39.9136 20.1698 15.8779 TIMING: 1581800 CPU: 4586.64, 0.00290036/step Wall: 4586.64, 0.00290036/step, 2.75389 hours remaining, 208.222656 MB of memory in use. ENERGY: 1581800 763.6866 2060.6129 1951.5708 115.7290 -205916.0971 17671.9061 0.0000 0.0000 34219.2223 -149133.3692 298.8450 -183352.5916 -149033.7619 299.5485 -77.4634 -39.5498 558202.4152 6.0150 6.1407 PRESSURE: 1582000 201.839 161.816 -84.2157 161.815 110.538 -24.4672 -84.2163 -24.4671 432.93 GPRESSURE: 1582000 242.977 112.859 -119.674 180.637 175.841 26.9406 -8.28002 -28.4701 419.188 PRESSAVG: 1582000 -34.0587 -24.3319 -32.8826 -24.332 -18.3262 -2.00814 -32.8826 -2.00821 36.8077 GPRESSAVG: 1582000 -34.1603 -25.119 -30.8131 -25.0494 -18.0955 -1.37687 -34.9771 -0.777858 36.78 TIMING: 1582000 CPU: 4587.22, 0.00287497/step Wall: 4587.22, 0.00287497/step, 2.72963 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1582000 749.8020 2133.6287 1934.0863 117.8705 -206281.4896 18098.7216 0.0000 0.0000 34205.4937 -149041.8870 298.7251 -183247.3806 -148941.1396 299.5037 248.4360 279.3354 557448.0472 -5.1924 -5.1586 PRESSURE: 1582200 302.759 -77.243 32.7636 -77.2424 56.6666 35.6821 32.7643 35.6809 117.257 GPRESSURE: 1582200 325.751 -83.3689 -28.2121 -137.795 80.8751 -6.25133 20.2179 43.8357 168.36 PRESSAVG: 1582200 19.5213 -25.5504 -19.5406 -25.5504 5.10848 25.2114 -19.5407 25.2115 19.6144 GPRESSAVG: 1582200 20.5589 -26.5879 -20.4365 -24.5302 4.74827 22.7605 -19.9902 27.1348 18.8358 TIMING: 1582200 CPU: 4587.8, 0.00290197/step Wall: 4587.8, 0.00290197/step, 2.7551 hours remaining, 208.222656 MB of memory in use. ENERGY: 1582200 756.0072 2129.4616 1935.2687 116.0436 -206029.0597 17970.6595 0.0000 0.0000 34093.4794 -149028.1396 297.7468 -183121.6190 -148937.4620 300.2181 158.8943 191.6621 557179.0677 14.7481 14.7143 PRESSURE: 1582400 -116.048 -141.901 27.6219 -141.902 -86.7176 -186.236 27.6209 -186.237 -36.5009 GPRESSURE: 1582400 -87.1022 -169.461 -25.6795 -145.669 -41.5225 -115.7 24.6464 -218.066 -24.9537 PRESSAVG: 1582400 -0.277879 -24.4945 10.1766 -24.4945 96.7725 -2.26904 10.1766 -2.26905 -77.9063 GPRESSAVG: 1582400 -0.69599 -23.1597 9.07742 -23.1475 97.2735 0.562966 11.1365 -4.44748 -77.7577 TIMING: 1582400 CPU: 4588.38, 0.00290723/step Wall: 4588.38, 0.00290723/step, 2.75993 hours remaining, 208.222656 MB of memory in use. ENERGY: 1582400 723.1812 2077.4598 1970.4761 128.3727 -205744.4507 17660.8751 0.0000 0.0000 34214.3648 -148969.7209 298.8026 -183184.0858 -148873.0151 299.4552 -79.7555 -51.1928 558716.0686 6.1961 6.2733 PRESSURE: 1582600 90.5059 54.6215 -56.5191 54.6209 25.7011 133.847 -56.5202 133.846 132.12 GPRESSURE: 1582600 116.221 24.4727 -114.457 110.819 20.877 150.283 -51.6163 189.098 207.513 PRESSAVG: 1582600 -12.6554 -8.6902 5.83319 -8.69016 97.2528 0.0514987 5.83329 0.0515792 -59.6593 GPRESSAVG: 1582600 -13.8922 -10.4402 6.83943 -8.62172 97.8948 -4.21257 6.09176 4.74278 -59.4247 TIMING: 1582600 CPU: 4588.95, 0.00287925/step Wall: 4588.95, 0.00287925/step, 2.73321 hours remaining, 208.222656 MB of memory in use. ENERGY: 1582600 766.1983 2070.8667 1932.8091 114.6227 -205794.6695 17755.1602 0.0000 0.0000 34050.0988 -149104.9138 297.3680 -183155.0125 -149003.9647 299.0513 82.7757 114.8703 556765.6490 8.3127 8.1926 PRESSURE: 1582800 -39.9498 103.126 39.4524 103.125 101.2 119.629 39.4525 119.63 43.3539 GPRESSURE: 1582800 63.2611 31.7193 75.1433 123.533 74.3911 179.76 20.2682 119.403 77.6477 PRESSAVG: 1582800 -21.3781 -55.6453 -22.6403 -55.6453 17.9687 19.9297 -22.6403 19.9296 -8.57435 GPRESSAVG: 1582800 -20.1217 -55.1396 -23.4863 -56.296 17.0445 21.8795 -23.3891 17.3747 -9.58654 TIMING: 1582800 CPU: 4589.53, 0.00291015/step Wall: 4589.53, 0.00291015/step, 2.76238 hours remaining, 208.222656 MB of memory in use. ENERGY: 1582800 799.0128 2078.7011 1926.1449 125.0159 -206296.5231 17965.4476 0.0000 0.0000 34453.9100 -148948.2907 300.8946 -183402.2008 -148849.9321 299.6941 34.8680 71.7666 557295.6304 -3.9946 -4.2212 PRESSURE: 1583000 -67.2454 -117.054 180.019 -117.054 210.96 -47.3565 180.02 -47.3569 -78.0941 GPRESSURE: 1583000 -19.761 -157.626 203.742 -114.825 194.231 -11.3365 122.361 -5.75293 -18.1931 PRESSAVG: 1583000 12.4816 5.94339 61.3303 5.94345 -19.277 27.2053 61.3303 27.2054 -21.5127 GPRESSAVG: 1583000 11.1977 6.9945 61.1733 4.70359 -18.6184 27.1603 62.9339 25.2079 -19.9399 TIMING: 1583000 CPU: 4590.12, 0.00290861/step Wall: 4590.12, 0.00290861/step, 2.76075 hours remaining, 208.222656 MB of memory in use. ENERGY: 1583000 745.7727 2158.2666 1945.8459 113.7081 -206228.1730 17915.8157 0.0000 0.0000 34295.7708 -149052.9932 299.5135 -183348.7640 -148954.2841 300.3981 21.8736 52.0922 557549.6821 -9.4360 -9.1202 PRESSURE: 1583200 -70.6002 -3.96164 -23.4478 -3.96215 -145.581 53.2962 -23.4468 53.2965 -92.0043 GPRESSURE: 1583200 -90.774 68.3819 3.77605 -79.7846 -92.9722 111.969 32.754 -43.8156 -27.0522 PRESSAVG: 1583200 22.9531 35.2891 21.5332 35.289 -12.2111 43.0747 21.5332 43.0747 43.4967 GPRESSAVG: 1583200 23.9091 33.4206 23.7244 37.8261 -11.6225 42.881 21.4967 44.7646 41.8238 TIMING: 1583200 CPU: 4590.69, 0.0028771/step Wall: 4590.69, 0.0028771/step, 2.73069 hours remaining, 208.222656 MB of memory in use. ENERGY: 1583200 750.7378 2089.9676 1975.5039 109.8980 -205884.8161 17744.1624 0.0000 0.0000 34319.0050 -148895.5415 299.7164 -183214.5465 -148798.4708 300.7171 -102.7285 -70.2661 558822.2818 18.0796 18.0368 PRESSURE: 1583400 224.8 -114.901 -45.1714 -114.901 62.1563 156.248 -45.1705 156.248 1.55878 GPRESSURE: 1583400 195.824 -111.816 -90.4567 -77.3151 155.323 175.318 -23.5746 122.767 35.9028 PRESSAVG: 1583400 107.231 -38.4976 27.9943 -38.4976 -83.0229 15.0679 27.9943 15.0678 -15.5818 GPRESSAVG: 1583400 105.496 -37.8266 26.335 -37.5646 -82.3234 14.7233 26.638 15.7169 -15.2901 TIMING: 1583400 CPU: 4591.28, 0.00294022/step Wall: 4591.28, 0.00294022/step, 2.79043 hours remaining, 208.222656 MB of memory in use. ENERGY: 1583400 768.3011 2072.2887 1918.5537 108.6372 -205865.8441 17928.5331 0.0000 0.0000 34158.9391 -148910.5911 298.3185 -183069.5302 -148817.2361 300.3436 96.1718 129.0166 557973.1043 2.8753 2.6275 PRESSURE: 1583600 -166.215 2.1508 -46.6657 2.14957 -37.4324 -139.413 -46.6646 -139.411 -9.96336 GPRESSURE: 1583600 -126.455 -62.7307 -27.7496 -33.5894 7.15178 -177.427 -47.866 -99.4121 2.8612 PRESSAVG: 1583600 -18.8244 -2.83547 -12.4108 -2.8355 1.64318 -19.1368 -12.4108 -19.1368 25.5842 GPRESSAVG: 1583600 -19.4717 -2.20548 -13.0522 -4.97597 1.50439 -18.35 -12.2751 -20.5398 26.2201 TIMING: 1583600 CPU: 4591.87, 0.00295187/step Wall: 4591.87, 0.00295187/step, 2.80133 hours remaining, 208.222656 MB of memory in use. ENERGY: 1583600 799.0430 2035.8852 1974.6223 107.1417 -206002.8313 17777.2955 0.0000 0.0000 34479.1278 -148829.7157 301.1148 -183308.8435 -148736.7289 299.8007 -71.2035 -38.8138 558173.1128 2.8010 2.7509 PRESSURE: 1583800 -36.1238 126.287 -82.3046 126.288 -80.4199 -23.2573 -82.3037 -23.2577 -126.4 GPRESSURE: 1583800 -25.1553 131.17 42.8278 153.266 -49.8241 42.7662 -122.064 -111.804 -67.4013 PRESSAVG: 1583800 -35.7618 -49.3283 -30.6677 -49.3284 -31.1604 -79.1715 -30.6676 -79.1716 88.4963 GPRESSAVG: 1583800 -34.0021 -51.0145 -30.0678 -48.8592 -32.2016 -79.8559 -29.9787 -78.1033 87.8128 TIMING: 1583800 CPU: 4592.45, 0.00288856/step Wall: 4592.45, 0.00288856/step, 2.74108 hours remaining, 208.222656 MB of memory in use. ENERGY: 1583800 752.4345 2114.7234 1934.4946 112.6807 -205873.6480 17637.3787 0.0000 0.0000 34356.7131 -148965.2230 300.0457 -183321.9361 -148863.4466 299.8820 -80.9813 -47.4602 558866.1253 7.1914 7.2030 PRESSURE: 1584000 -154.276 52.7454 166.087 52.7449 -149.967 124.695 166.087 124.695 49.9498 GPRESSURE: 1584000 -133.835 90.5238 21.1169 21.84 -154.074 200.512 206.353 85.6259 118.036 PRESSAVG: 1584000 -17.562 8.46672 9.43068 8.46677 -38.3059 30.7667 9.43058 30.7667 12.661 GPRESSAVG: 1584000 -17.7644 10.3465 10.2073 7.69973 -38.2598 30.1615 9.15588 28.9054 12.823 TIMING: 1584000 CPU: 4593.03, 0.0029145/step Wall: 4593.03, 0.0029145/step, 2.76554 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1584000 723.2472 2047.8439 1947.9715 111.3607 -206013.3817 17680.2267 0.0000 0.0000 34339.2547 -149163.4772 299.8933 -183502.7318 -149065.1036 299.4463 -84.7646 -56.6246 558260.9512 -14.4023 -14.4004 PRESSURE: 1584200 -3.19971 -186.961 -63.0219 -186.96 89.7098 -6.52235 -63.0216 -6.52412 107.195 GPRESSURE: 1584200 30.3773 -142.062 -116.495 -161.946 136.867 -35.4268 -32.2961 72.2533 120.808 PRESSAVG: 1584200 -56.8253 -42.6825 17.9493 -42.6824 18.1513 49.2989 17.9492 49.2992 63.8258 GPRESSAVG: 1584200 -56.5391 -41.3617 19.3461 -42.8797 18.1338 49.9713 17.4443 49.4771 63.6722 TIMING: 1584200 CPU: 4593.61, 0.00291573/step Wall: 4593.61, 0.00291573/step, 2.76654 hours remaining, 208.222656 MB of memory in use. ENERGY: 1584200 726.9840 2082.5323 1954.0005 101.2862 -206147.4363 17796.4461 0.0000 0.0000 34396.6700 -149089.5173 300.3947 -183486.1873 -148991.6619 299.6876 64.5682 96.0175 555972.4103 8.3839 8.4223 LDB: ============= START OF LOAD BALANCING ============== 4597 LDB: ============== END OF LOAD BALANCING =============== 4597 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4597 LDB: ============= START OF LOAD BALANCING ============== 4597.29 LDB: Largest compute 4792 load 0.024872 is 21.1% of average load 0.118017 LDB: Average compute 0.001714 is 1.5% of average load 0.118017 LDB: TIME 4597.29 LOAD: AVG 0.118017 MAX 0.181149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.699 MB LDB: TIME 4597.29 LOAD: AVG 0.118017 MAX 0.181149 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.723 MB LDB: TIME 4597.29 LOAD: AVG 0.118017 MAX 0.181149 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4597.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4597.3 PRESSURE: 1584400 -27.7731 -128.332 142.253 -128.332 54.7537 87.3893 142.254 87.3913 -192.046 GPRESSURE: 1584400 -15.8866 -97.0099 139.29 -184.238 126.976 137.316 142.775 57.0625 -172.281 PRESSAVG: 1584400 -0.426688 -37.7875 46.7082 -37.7876 -14.9377 13.3084 46.7083 13.3084 17.4685 GPRESSAVG: 1584400 0.002734 -40.3739 46.2955 -37.9898 -15.2914 15.1548 47.288 13.9363 18.1764 TIMING: 1584400 CPU: 4594.2, 0.00294984/step Wall: 4594.2, 0.00294984/step, 2.79875 hours remaining, 208.921875 MB of memory in use. ENERGY: 1584400 743.6092 2079.6107 1942.1638 114.4842 -205917.0776 17797.4019 0.0000 0.0000 34295.9775 -148943.8302 299.5153 -183239.8077 -148855.8063 299.5746 -55.0219 -20.3971 556924.2419 0.7014 0.9626 PRESSURE: 1584600 219.527 43.5548 11.6905 43.5554 219.255 53.0803 11.6905 53.0795 163.001 GPRESSURE: 1584600 240.028 72.401 -70.9489 -9.05232 212.034 103.821 12.8579 4.27654 242.137 PRESSAVG: 1584600 -48.8062 35.8023 16.0767 35.8024 -14.3095 43.9493 16.0768 43.9494 65.9574 GPRESSAVG: 1584600 -49.5468 36.0381 14.6288 37.3295 -14.9436 43.4124 16.2785 45.6325 66.8742 TIMING: 1584600 CPU: 4594.78, 0.00288482/step Wall: 4594.78, 0.00288482/step, 2.7369 hours remaining, 209.449219 MB of memory in use. ENERGY: 1584600 725.1185 2110.7014 1944.7799 104.7835 -206430.5718 18012.2549 0.0000 0.0000 34489.2887 -149043.6450 301.2035 -183532.9336 -148945.2174 299.7015 200.5944 231.3994 556316.2063 0.9472 0.7946 PRESSURE: 1584800 31.483 -22.9317 12.9467 -22.931 10.4845 -59.414 12.9469 -59.4151 -20.7509 GPRESSURE: 1584800 73.4243 -38.0595 2.9225 45.5957 71.4922 33.6968 -16.1949 -23.1202 -14.7608 PRESSAVG: 1584800 12.1745 0.393006 -26.9692 0.393099 24.8796 -26.2602 -26.9692 -26.2602 -9.15837 GPRESSAVG: 1584800 13.0302 1.34597 -27.2632 1.54015 25.7257 -26.5365 -24.9536 -28.0937 -10.5229 TIMING: 1584800 CPU: 4595.36, 0.00289204/step Wall: 4595.36, 0.00289204/step, 2.74358 hours remaining, 209.449219 MB of memory in use. ENERGY: 1584800 721.3764 2054.5819 1914.4564 113.4460 -206214.4911 17818.4440 0.0000 0.0000 34399.0961 -149193.0904 300.4159 -183592.1865 -149096.3383 300.0198 7.0722 43.3852 555956.5158 9.2986 9.4110 PRESSURE: 1585000 -0.945769 -59.2173 -16.0438 -59.216 -74.2205 71.8869 -16.0424 71.8858 -61.092 GPRESSURE: 1585000 28.9644 -50.2499 -94.5523 -10.6202 -68.9742 85.798 72.2277 -7.32327 -4.73539 PRESSAVG: 1585000 -3.12242 -75.0804 -42.408 -75.0803 -2.60786 -36.2116 -42.408 -36.2117 27.7293 GPRESSAVG: 1585000 -4.10452 -77.0089 -40.5594 -75.7531 -2.67606 -38.7543 -44.1201 -36.0051 27.773 TIMING: 1585000 CPU: 4595.94, 0.00288989/step Wall: 4595.94, 0.00288989/step, 2.74138 hours remaining, 209.449219 MB of memory in use. ENERGY: 1585000 781.0371 2063.2213 1929.0876 105.9751 -206482.5147 17922.0099 0.0000 0.0000 34370.4961 -149310.6876 300.1661 -183681.1837 -149209.4539 299.2288 -45.4194 -14.9151 556750.6179 7.3330 6.9975 PRESSURE: 1585200 182.884 -2.49641 83.2007 -2.49699 -493.575 -129.47 83.2009 -129.469 26.4099 GPRESSURE: 1585200 145.845 60.6297 91.2597 -54.3652 -357.231 -121.234 114.75 -176.589 9.28915 PRESSAVG: 1585200 17.3031 -2.75143 20.4422 -2.75143 8.15764 14.2302 20.4422 14.2301 -14.8758 GPRESSAVG: 1585200 17.2072 -1.18665 19.6921 -4.89376 7.92012 17.9911 20.6376 12.991 -15.0278 TIMING: 1585200 CPU: 4596.52, 0.00290374/step Wall: 4596.52, 0.00290374/step, 2.75436 hours remaining, 209.449219 MB of memory in use. ENERGY: 1585200 774.5153 2041.1120 1946.8426 113.4218 -205981.7826 17858.3418 0.0000 0.0000 34000.9006 -149246.6486 296.9383 -183247.5491 -149149.4759 299.4118 -94.7604 -67.3655 558478.9912 3.5283 3.3665 PRESSURE: 1585400 -74.5846 -166.803 -89.3384 -166.803 -24.6015 59.2558 -89.338 59.2561 -86.5414 GPRESSURE: 1585400 3.10853 -78.7349 -107.055 -218.568 -25.163 87.5772 -37.3515 41.1058 -68.7285 PRESSAVG: 1585400 -28.0341 -44.2896 -17.8279 -44.2896 16.9064 -16.0894 -17.8279 -16.0894 -26.7665 GPRESSAVG: 1585400 -28.355 -45.6165 -19.4265 -42.4919 17.6002 -17.5786 -17.3858 -14.5869 -27.0895 TIMING: 1585400 CPU: 4597.1, 0.00290233/step Wall: 4597.1, 0.00290233/step, 2.75286 hours remaining, 209.449219 MB of memory in use. ENERGY: 1585400 758.6369 2058.2854 1920.4800 110.6044 -206397.3395 18110.6349 0.0000 0.0000 34247.5204 -149191.1776 299.0921 -183438.6980 -149101.4283 298.5257 -61.9092 -30.2610 559840.7861 -12.6314 -12.6148 PRESSURE: 1585600 -212.355 -48.1959 -85.1264 -48.1958 68.4729 -158.358 -85.1279 -158.357 -241.527 GPRESSURE: 1585600 -134.524 -96.3539 -136.324 15.9839 61.29 -146.884 -44.5615 -151.136 -212.496 PRESSAVG: 1585600 -9.04091 17.1807 33.5545 17.1807 -31.3487 60.1083 33.5544 60.1083 71.0349 GPRESSAVG: 1585600 -9.37198 17.3947 34.3852 18.7219 -30.6343 58.2402 32.7465 60.4331 70.0628 TIMING: 1585600 CPU: 4597.68, 0.00290708/step Wall: 4597.68, 0.00290708/step, 2.75721 hours remaining, 209.449219 MB of memory in use. ENERGY: 1585600 776.9574 2101.4203 1903.1101 113.6117 -206025.2163 17803.1025 0.0000 0.0000 34159.3884 -149167.6259 298.3224 -183327.0143 -149069.6098 298.5747 -128.4696 -95.2435 560772.4057 10.2151 10.0188 PRESSURE: 1585800 -126.189 88.4821 87.2168 88.483 29.215 -114.895 87.2175 -114.895 233.69 GPRESSURE: 1585800 -128.526 83.6515 71.0854 19.3295 47.203 -167.606 169.8 -86.5633 307.419 PRESSAVG: 1585800 -31.9662 -28.9036 20.2875 -28.9036 61.5288 22.8351 20.2875 22.8351 17.8588 GPRESSAVG: 1585800 -33.7855 -27.9563 20.3959 -31.382 62.1355 24.5095 20.7654 21.2823 18.6532 TIMING: 1585800 CPU: 4598.26, 0.00289878/step Wall: 4598.26, 0.00289878/step, 2.74917 hours remaining, 209.449219 MB of memory in use. ENERGY: 1585800 762.3830 2110.6923 1960.7176 110.9622 -206300.5962 17847.3491 0.0000 0.0000 34544.5364 -148963.9555 301.6860 -183508.4919 -148870.8272 299.7095 45.5720 75.3653 557217.5399 15.8071 15.6678 PRESSURE: 1586000 -190.599 145.109 -59.9714 145.109 -201.247 65.6004 -59.9709 65.6007 -76.8166 GPRESSURE: 1586000 -152.342 117.081 -128.614 121.078 -142.209 146.787 -54.3359 121.383 -74.3991 PRESSAVG: 1586000 -77.1059 -8.15017 -17.7477 -8.15008 41.9629 -6.14094 -17.7477 -6.1409 24.8502 GPRESSAVG: 1586000 -75.4989 -7.61648 -15.7091 -10.3338 39.8516 -8.02004 -19.2389 -3.17877 25.2756 TIMING: 1586000 CPU: 4598.84, 0.00291169/step Wall: 4598.84, 0.00291169/step, 2.76125 hours remaining, 209.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1586000 706.1495 2129.2732 1945.6462 102.3445 -205759.9327 17472.6907 0.0000 0.0000 34397.4963 -149006.3323 300.4019 -183403.8286 -148917.1679 299.7387 -156.2207 -122.9833 558439.1808 -3.4310 -3.4572 PRESSURE: 1586200 7.88057 -55.366 13.0497 -55.3656 266.148 10.1318 13.0499 10.1323 -63.8247 GPRESSURE: 1586200 12.2782 -1.62152 -99.3961 -121.131 327.899 19.7105 64.7554 -67.3268 -45.3427 PRESSAVG: 1586200 -20.16 19.6208 -1.37771 19.6208 -20.6177 -25.4108 -1.37773 -25.4107 29.1284 GPRESSAVG: 1586200 -21.4112 18.5745 -3.46025 21.6841 -19.1156 -25.2334 0.122836 -25.7359 29.0995 TIMING: 1586200 CPU: 4599.43, 0.00291609/step Wall: 4599.43, 0.00291609/step, 2.76526 hours remaining, 209.449219 MB of memory in use. ENERGY: 1586200 738.5859 2094.2535 1941.2977 132.4693 -206075.5816 17838.4914 0.0000 0.0000 34289.9975 -149040.4863 299.4631 -183330.4838 -148938.5938 299.9742 70.0678 98.2783 558114.9952 -3.8831 -3.8091 PRESSURE: 1586400 183.736 12.1394 -25.03 12.1394 -71.4376 -128.555 -25.03 -128.556 169.515 GPRESSURE: 1586400 260.926 12.6496 16.1957 19.7741 -21.1438 -124.285 -16.4665 -129.527 131.443 PRESSAVG: 1586400 -43.6233 -51.7993 -5.54293 -51.7993 -17.811 -68.4346 -5.54285 -68.4346 40.6377 GPRESSAVG: 1586400 -42.5888 -50.7149 -5.40427 -51.8208 -19.0867 -67.0401 -5.13844 -69.6437 40.2245 TIMING: 1586400 CPU: 4600.01, 0.00291059/step Wall: 4600.01, 0.00291059/step, 2.75988 hours remaining, 209.500000 MB of memory in use. ENERGY: 1586400 728.3697 2098.3164 1943.8191 114.7042 -206074.2621 17755.1880 0.0000 0.0000 34587.3872 -148846.4774 302.0603 -183433.8646 -148742.5723 299.9673 93.9377 123.7419 559170.8346 -6.9322 -7.1503 PRESSURE: 1586600 -88.3542 50.2784 -31.8307 50.279 234.811 11.8768 -31.8292 11.8766 -47.911 GPRESSURE: 1586600 -92.6348 23.3091 71.1475 30.9091 292.148 72.6938 0.0119461 83.1986 -10.7711 PRESSAVG: 1586600 20.5299 -25.3865 -14.921 -25.3865 -63.8504 11.0918 -14.921 11.0918 40.4573 GPRESSAVG: 1586600 19.8108 -25.5128 -13.6356 -24.7499 -62.7472 11.1516 -16.2637 11.0507 40.1785 TIMING: 1586600 CPU: 4600.59, 0.00290978/step Wall: 4600.59, 0.00290979/step, 2.75896 hours remaining, 209.500000 MB of memory in use. ENERGY: 1586600 785.3070 2134.3211 1949.5438 113.0404 -206393.2725 17964.3321 0.0000 0.0000 34421.3070 -149025.4210 300.6098 -183446.7281 -148931.9300 300.0179 32.8487 62.9141 558079.1500 -0.9544 -0.9193 PRESSURE: 1586800 -82.3202 -41.3902 -38.2058 -41.3899 166.431 47.7876 -38.2052 47.7859 3.0143 GPRESSURE: 1586800 -27.7132 3.00292 -6.34216 -87.843 183.708 43.8343 -78.5664 5.43595 33.2271 PRESSAVG: 1586800 -11.3327 20.0894 -20.4603 20.0895 57.7544 -34.9424 -20.4603 -34.9424 15.3675 GPRESSAVG: 1586800 -10.3135 19.2151 -20.7247 20.9693 56.8182 -34.1696 -20.7109 -34.1342 15.0792 TIMING: 1586800 CPU: 4601.17, 0.00291869/step Wall: 4601.17, 0.00291869/step, 2.76725 hours remaining, 209.500000 MB of memory in use. ENERGY: 1586800 770.1113 2046.1202 1936.6322 120.7624 -206320.8083 17981.0417 0.0000 0.0000 34363.9749 -149102.1654 300.1091 -183466.1403 -149010.0444 299.7376 29.0418 63.0741 556916.0868 20.5964 20.5280 PRESSURE: 1587000 25.045 64.3166 -172.941 64.3171 63.6571 -119.343 -172.94 -119.342 124.641 GPRESSURE: 1587000 137.254 77.6621 -155.399 65.0209 71.4524 -142.54 -165.783 -85.1778 98.9298 PRESSAVG: 1587000 -73.9703 23.9225 -17.6502 23.9224 7.86864 -9.90478 -17.6502 -9.90461 34.8179 GPRESSAVG: 1587000 -74.7666 22.3754 -19.7232 23.7926 8.99963 -12.2477 -17.1034 -10.2898 34.3114 TIMING: 1587000 CPU: 4601.75, 0.00288408/step Wall: 4601.75, 0.00288408/step, 2.73427 hours remaining, 209.500000 MB of memory in use. ENERGY: 1587000 742.9522 2083.2367 1952.0524 105.7867 -206491.6975 17900.2890 0.0000 0.0000 34341.3510 -149366.0297 299.9116 -183707.3806 -149268.6499 299.1071 71.1144 102.5454 557561.2630 -10.4279 -10.4852 PRESSURE: 1587200 -113.931 -114.353 -82.4 -114.352 136.633 83.9339 -82.4009 83.9335 176.861 GPRESSURE: 1587200 -75.9542 -40.1144 -3.4577 -160.609 140.838 75.8269 -24.7303 77.5221 228.353 PRESSAVG: 1587200 93.8259 -67.1401 -46.393 -67.1401 -12.9152 -20.1878 -46.393 -20.1877 -51.8947 GPRESSAVG: 1587200 94.2324 -65.9251 -43.8806 -67.1373 -13.1817 -20.7277 -45.7326 -19.2582 -51.9991 TIMING: 1587200 CPU: 4602.33, 0.00288339/step Wall: 4602.33, 0.00288339/step, 2.73345 hours remaining, 209.500000 MB of memory in use. ENERGY: 1587200 714.2799 2129.8079 1941.7032 119.4293 -206687.9018 17938.6129 0.0000 0.0000 34372.5665 -149471.5022 300.1842 -183844.0688 -149378.9706 298.8500 66.5209 97.7458 555564.0879 9.6720 9.6839 PRESSURE: 1587400 79.6719 -3.32753 -33.44 -3.32872 -111.582 -86.491 -33.4401 -86.4897 -85.4844 GPRESSURE: 1587400 92.1751 70.2216 -40.4032 -82.1367 -61.3293 -70.6786 -41.35 -67.2654 -62.3822 PRESSAVG: 1587400 -40.8895 -15.2961 -38.8096 -15.2961 55.0004 -2.36427 -38.8096 -2.36423 1.28104 GPRESSAVG: 1587400 -41.2968 -16.1233 -40.99 -16.9791 54.6999 1.67236 -38.3983 -2.86426 2.39827 TIMING: 1587400 CPU: 4602.9, 0.00289013/step Wall: 4602.9, 0.00289013/step, 2.73968 hours remaining, 209.500000 MB of memory in use. ENERGY: 1587400 744.0886 2082.9604 1987.2602 112.8426 -206824.6558 18025.0397 0.0000 0.0000 34356.6678 -149515.7965 300.0453 -183872.4644 -149427.5371 299.4704 -39.1314 -10.5121 558078.9240 5.1307 5.2671 PRESSURE: 1587600 -34.1397 69.9361 186.739 69.9365 -137.708 -21.127 186.739 -21.128 -152.642 GPRESSURE: 1587600 -41.2718 43.5467 220.85 50.4001 -134.781 -87.3039 181.075 -25.4513 -62.2986 PRESSAVG: 1587600 50.577 22.3464 -7.07643 22.3463 -40.1075 -17.2824 -7.0766 -17.2823 7.12196 GPRESSAVG: 1587600 50.7185 22.9373 -4.74506 21.4796 -40.725 -20.5834 -6.53832 -17.0172 7.45536 TIMING: 1587600 CPU: 4603.49, 0.00290734/step Wall: 4603.49, 0.00290734/step, 2.75584 hours remaining, 209.500000 MB of memory in use. ENERGY: 1587600 749.9191 2152.6668 1951.7821 117.0260 -206571.6241 17676.7175 0.0000 0.0000 34355.8429 -149567.6696 300.0381 -183923.5125 -149479.8643 298.7884 -108.1632 -79.4505 557196.5233 5.8638 5.8163 PRESSURE: 1587800 113.578 -60.6362 -84.5529 -60.636 -152.179 -86.6084 -84.5529 -86.6077 -11.9838 GPRESSURE: 1587800 105.66 21.3087 -97.4646 -26.0878 -167.441 -148.016 -131.604 -178.025 107.376 PRESSAVG: 1587800 -19.0435 76.1743 0.14147 76.1744 -32.9713 -15.9659 0.141495 -15.9659 13.5763 GPRESSAVG: 1587800 -20.0326 76.4836 0.631479 78.9898 -31.7303 -14.0125 -3.9153 -17.2661 13.5716 TIMING: 1587800 CPU: 4604.07, 0.00291921/step Wall: 4604.07, 0.00291921/step, 2.76693 hours remaining, 209.500000 MB of memory in use. ENERGY: 1587800 792.1380 2091.3441 1937.5559 126.2574 -206610.1328 17884.0179 0.0000 0.0000 34427.0605 -149351.7592 300.6601 -183778.8197 -149251.1834 298.8642 -16.8615 15.1982 556533.1645 -12.8128 -12.7305 PRESSURE: 1588000 -59.7164 34.013 -42.1773 34.0127 44.9556 43.1669 -42.1758 43.1672 -46.5504 GPRESSURE: 1588000 23.129 80.2423 1.10207 -17.0216 8.92613 59.831 -61.6977 58.5656 9.68678 PRESSAVG: 1588000 -8.8983 6.42481 -18.0042 6.42487 43.8866 -8.94251 -18.0041 -8.9424 -12.601 GPRESSAVG: 1588000 -8.57139 7.68288 -20.1897 4.2065 44.5002 -10.2666 -14.9324 -8.25205 -13.305 TIMING: 1588000 CPU: 4604.66, 0.00294395/step Wall: 4604.66, 0.00294395/step, 2.79021 hours remaining, 209.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1588000 755.0907 2186.8433 1960.2650 115.8411 -206231.5599 17783.6550 0.0000 0.0000 34357.0812 -149072.7835 300.0489 -183429.8648 -148980.6371 300.0443 -20.4371 13.9140 558037.8752 7.4624 7.5413 PRESSURE: 1588200 19.4672 138.136 -71.8874 138.134 -5.33497 -19.0819 -71.888 -19.0824 -84.3716 GPRESSURE: 1588200 126.774 188.781 -62.363 78.6542 16.453 11.0428 -95.9314 -33.4959 -111.648 PRESSAVG: 1588200 -19.9309 24.3586 -55.8279 24.3585 4.97687 -0.766339 -55.8279 -0.766461 -6.18987 GPRESSAVG: 1588200 -19.1727 23.5339 -57.7124 26.0658 4.67185 0.554708 -56.5548 -0.6882 -6.6735 TIMING: 1588200 CPU: 4605.25, 0.0029465/step Wall: 4605.25, 0.0029465/step, 2.79246 hours remaining, 209.500000 MB of memory in use. ENERGY: 1588200 774.7848 2076.8069 1948.5856 108.4538 -206184.0293 17897.4392 0.0000 0.0000 34180.9845 -149196.9745 298.5110 -183377.9590 -149099.4700 299.4693 -23.4131 10.5264 556954.0687 -7.0480 -7.0581 LDB: ============= START OF LOAD BALANCING ============== 4608.64 LDB: ============== END OF LOAD BALANCING =============== 4608.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4608.64 LDB: ============= START OF LOAD BALANCING ============== 4608.93 LDB: Largest compute 4801 load 0.021020 is 17.8% of average load 0.118028 LDB: Average compute 0.001713 is 1.5% of average load 0.118028 LDB: TIME 4608.93 LOAD: AVG 0.118028 MAX 0.183324 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.09 MB LDB: TIME 4608.93 LOAD: AVG 0.118028 MAX 0.183324 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: TIME 4608.93 LOAD: AVG 0.118028 MAX 0.183324 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4608.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4608.94 PRESSURE: 1588400 -168.882 67.8602 -157.433 67.8591 -60.5521 -4.20535 -157.434 -4.20433 -123.738 GPRESSURE: 1588400 -114.073 90.9664 -203.759 80.1812 -70.4812 59.2725 -119.156 25.8534 -71.5514 PRESSAVG: 1588400 1.70466 20.8413 -52.2154 20.8413 38.04 0.806164 -52.2154 0.806166 42.8932 GPRESSAVG: 1588400 0.705788 21.5377 -50.9489 19.381 37.1322 0.994947 -50.5127 0.0801535 45.0961 TIMING: 1588400 CPU: 4605.84, 0.00298298/step Wall: 4605.84, 0.00298298/step, 2.82687 hours remaining, 208.871094 MB of memory in use. ENERGY: 1588400 742.2119 2188.2137 1932.7718 116.0708 -205938.1356 17650.7900 0.0000 0.0000 34243.2648 -149064.8126 299.0549 -183308.0774 -148974.9307 299.0970 -117.7241 -85.3686 558216.8565 27.5460 27.6447 PRESSURE: 1588600 -9.93896 30.7857 115.851 30.7856 -43.881 -57.4624 115.852 -57.4631 -58.5389 GPRESSURE: 1588600 -19.1031 54.4849 200.758 0.945806 9.28498 -69.7775 70.4365 -42.0075 -5.18174 PRESSAVG: 1588600 21.9381 -21.5494 -1.16022 -21.5495 -32.5426 -6.43059 -1.16022 -6.43063 11.1278 GPRESSAVG: 1588600 22.8986 -22.5597 -1.77193 -20.645 -33.1281 -6.93313 -2.55836 -5.59745 10.6643 TIMING: 1588600 CPU: 4606.43, 0.00292076/step Wall: 4606.43, 0.00292076/step, 2.76774 hours remaining, 208.871094 MB of memory in use. ENERGY: 1588600 750.5740 2168.9149 1929.8194 111.6254 -206167.4685 17824.5731 0.0000 0.0000 34278.2989 -149103.6630 299.3609 -183381.9618 -149004.6951 299.7458 -37.4530 -5.0000 557927.6506 0.1744 0.1450 PRESSURE: 1588800 0.963737 -42.0095 202.875 -42.008 -36.094 -126.107 202.877 -126.107 79.3187 GPRESSURE: 1588800 87.8593 -43.355 242.381 -108.088 -45.676 -148.549 177.564 -119.689 92.8986 PRESSAVG: 1588800 27.9441 11.6624 9.38633 11.6624 -42.9701 -1.20306 9.3863 -1.20299 7.06196 GPRESSAVG: 1588800 28.0951 12.0426 10.6903 13.5726 -42.3655 -3.81625 8.61913 -1.01209 6.72941 TIMING: 1588800 CPU: 4607.01, 0.00290314/step Wall: 4607.01, 0.00290314/step, 2.75089 hours remaining, 208.871094 MB of memory in use. ENERGY: 1588800 794.3651 2109.7423 1945.0314 106.3384 -206340.2115 18018.0809 0.0000 0.0000 34189.1036 -149177.5498 298.5819 -183366.6534 -149078.4491 299.5018 14.7295 45.0273 558564.9216 -2.6547 -2.5137 PRESSURE: 1589000 -313.184 -118.986 50.9823 -118.986 -147.407 -42.1914 50.9826 -42.1921 -197.062 GPRESSURE: 1589000 -289.567 -190.224 145.583 -122.2 -67.2998 -24.9554 48.3206 -44.8579 -196.346 PRESSAVG: 1589000 16.0352 -5.61637 20.6866 -5.61637 1.0536 -2.12772 20.6866 -2.12774 -27.7876 GPRESSAVG: 1589000 16.099 -6.26786 20.9169 -6.18148 2.37996 1.99609 21.5067 -3.7731 -28.9878 TIMING: 1589000 CPU: 4607.59, 0.00288279/step Wall: 4607.59, 0.00288279/step, 2.73144 hours remaining, 208.871094 MB of memory in use. ENERGY: 1589000 764.4377 2102.9570 1957.4488 112.9746 -205956.6218 17622.6609 0.0000 0.0000 34264.6394 -149131.5034 299.2416 -183396.1427 -149025.4523 299.0832 -219.2175 -184.4042 558342.2771 -3.5663 -3.5029 PRESSURE: 1589200 107.207 65.5346 55.3526 65.5356 244.278 64.9496 55.353 64.9504 48.8399 GPRESSURE: 1589200 159.778 88.9717 6.23406 65.4178 291.464 -18.6308 102.551 114.036 53.5435 PRESSAVG: 1589200 54.2788 -14.7282 33.8157 -14.7282 9.80608 1.46062 33.8156 1.46057 -35.694 GPRESSAVG: 1589200 54.2067 -14.3533 33.4374 -16.1013 9.50883 -2.12279 33.0989 2.16296 -35.206 TIMING: 1589200 CPU: 4608.16, 0.00287712/step Wall: 4608.16, 0.00287712/step, 2.72591 hours remaining, 208.871094 MB of memory in use. ENERGY: 1589200 724.5846 2110.0135 1952.3627 106.4217 -206515.8873 18013.0068 0.0000 0.0000 34477.4070 -149132.0909 301.0998 -183609.4979 -149028.1119 300.1689 133.4416 168.2617 556735.2993 9.4636 9.5032 PRESSURE: 1589400 -33.782 -100.724 27.1565 -100.724 -69.9771 -112.027 27.1575 -112.026 -27.3798 GPRESSURE: 1589400 17.8443 -127.591 102.238 -105.695 -58.2519 -60.2636 46.0008 -87.2843 1.35637 PRESSAVG: 1589400 -13.3841 44.3907 38.8941 44.3907 76.8884 -21.4379 38.8942 -21.4379 -29.0929 GPRESSAVG: 1589400 -13.2468 46.7237 41.9367 44.1846 77.3657 -18.1951 35.8804 -21.656 -29.8842 TIMING: 1589400 CPU: 4608.74, 0.00288225/step Wall: 4608.74, 0.00288225/step, 2.73061 hours remaining, 208.871094 MB of memory in use. ENERGY: 1589400 718.9287 2113.6521 1934.9059 106.0841 -206032.3328 17718.9114 0.0000 0.0000 34238.4494 -149201.4014 299.0129 -183439.8508 -149111.5040 298.7589 -43.7130 -13.0171 558099.3775 11.4704 11.4116 PRESSURE: 1589600 0.0430771 53.2209 -105.976 53.2213 4.75915 -40.5205 -105.976 -40.5207 -93.2236 GPRESSURE: 1589600 58.2306 44.8528 -167.596 58.8126 50.9796 7.1865 -144.421 -91.5289 -100.381 PRESSAVG: 1589600 -3.29461 10.2962 5.59863 10.2963 -25.5396 -19.3069 5.59855 -19.3069 29.0152 GPRESSAVG: 1589600 -1.97111 8.74731 2.85554 12.2808 -26.8626 -21.4255 10.0729 -16.9872 29.5922 TIMING: 1589600 CPU: 4609.32, 0.00289807/step Wall: 4609.32, 0.00289807/step, 2.74544 hours remaining, 208.871094 MB of memory in use. ENERGY: 1589600 756.7594 2105.2274 1946.2431 105.1338 -206002.0199 17567.3221 0.0000 0.0000 34372.9263 -149148.4079 300.1873 -183521.3341 -149057.1068 299.2941 -29.4738 2.9432 556744.3291 0.0603 0.2528 PRESSURE: 1589800 -48.854 -9.88968 115.288 -9.88931 -95.2477 55.4897 115.289 55.4883 5.00529 GPRESSURE: 1589800 -10.8226 -91.6017 133.011 -26.0728 -55.0244 106.574 173.931 -32.5972 33.0593 PRESSAVG: 1589800 12.9021 -11.546 -33.8192 -11.546 -33.7263 -55.0763 -33.8192 -55.0763 31.3283 GPRESSAVG: 1589800 12.1751 -10.745 -36.0527 -12.7377 -33.4321 -54.6907 -33.8284 -55.7335 31.6315 TIMING: 1589800 CPU: 4609.9, 0.00291807/step Wall: 4609.9, 0.00291807/step, 2.76422 hours remaining, 208.871094 MB of memory in use. ENERGY: 1589800 730.7781 2195.0674 1944.3653 103.1199 -206141.3824 17618.7496 0.0000 0.0000 34293.1985 -149256.1036 299.4910 -183549.3021 -149158.7214 299.8760 -46.3655 -10.9292 555926.3466 3.5014 3.4582 PRESSURE: 1590000 109.689 55.6412 25.1334 55.6402 331.536 36.7508 25.1324 36.7511 75.6361 GPRESSURE: 1590000 105.827 -45.5002 37.3085 100.335 332.376 127.085 -8.00534 102.963 183.398 PRESSAVG: 1590000 44.2703 -31.412 67.3192 -31.412 -42.9463 -16.9762 67.3192 -16.9762 -0.0290301 GPRESSAVG: 1590000 44.2476 -34.2054 71.2819 -31.5349 -44.1288 -16.6421 64.4197 -17.2669 0.639456 TIMING: 1590000 CPU: 4610.48, 0.00290771/step Wall: 4610.48, 0.00290771/step, 2.75425 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1590000 792.5940 2058.2182 1931.9466 117.7374 -206773.0523 18258.3774 0.0000 0.0000 34275.7856 -149338.3932 299.3390 -183614.1788 -149240.3901 299.0280 172.2871 207.2000 555850.7686 0.4317 0.2527 PRESSURE: 1590200 1.07538 170.754 30.451 170.755 -24.9884 160.132 30.4522 160.132 -215.539 GPRESSURE: 1590200 27.9929 260.622 47.7981 107.51 24.2175 122.384 61.0347 115.872 -195.627 PRESSAVG: 1590200 10.5571 30.4779 25.292 30.4779 -8.18167 42.6203 25.292 42.6202 -49.0117 GPRESSAVG: 1590200 10.7178 31.6041 24.3723 29.9425 -9.22028 40.5307 26.9188 41.9352 -48.1667 TIMING: 1590200 CPU: 4611.06, 0.00289905/step Wall: 4611.06, 0.00289905/step, 2.74588 hours remaining, 208.871094 MB of memory in use. ENERGY: 1590200 742.3519 2178.9855 1925.2987 110.4820 -206149.1188 17706.2912 0.0000 0.0000 34099.3078 -149386.4017 297.7977 -183485.7095 -149288.3527 298.2667 -79.8172 -47.8055 557741.6902 -15.5454 -15.5564 PRESSURE: 1590400 50.5742 -9.64312 -100.984 -9.6436 -62.2218 83.1766 -100.984 83.1783 205.687 GPRESSURE: 1590400 53.0033 -129.743 -61.1183 -24.8171 -30.989 140.855 -118.443 61.3253 256.577 PRESSAVG: 1590400 26.4194 -25.3665 1.52262 -25.3666 -41.5662 -25.185 1.52261 -25.1849 37.7821 GPRESSAVG: 1590400 26.0004 -24.3157 1.86761 -24.7254 -40.2205 -24.88 0.0563304 -25.5369 36.7988 TIMING: 1590400 CPU: 4611.64, 0.00287891/step Wall: 4611.64, 0.00287891/step, 2.72665 hours remaining, 208.871094 MB of memory in use. ENERGY: 1590400 725.1799 2171.7245 1918.4284 97.8469 -206566.6591 18097.6612 0.0000 0.0000 34138.4025 -149417.4156 298.1392 -183555.8181 -149321.7937 298.7906 64.6799 92.8638 558099.7707 7.5451 7.5262 PRESSURE: 1590600 111.858 -60.8991 -76.8634 -60.8979 -208.227 -123.744 -76.8627 -123.742 160.386 GPRESSURE: 1590600 167.573 7.41406 15.8261 -69.7247 -152.95 -127.568 -122.181 -146.358 152.581 PRESSAVG: 1590600 26.5315 -30.6647 25.4729 -30.6646 -27.1048 -55.9326 25.4729 -55.9326 -9.35612 GPRESSAVG: 1590600 27.3472 -29.8122 22.7733 -31.8043 -26.913 -54.2243 27.0158 -55.9912 -10.3487 TIMING: 1590600 CPU: 4612.22, 0.00289429/step Wall: 4612.22, 0.00289429/step, 2.74106 hours remaining, 208.871094 MB of memory in use. ENERGY: 1590600 761.1847 2124.4601 1942.4266 117.8107 -206344.3004 17967.8659 0.0000 0.0000 34022.9126 -149407.6396 297.1306 -183430.5523 -149312.4317 298.5466 21.3394 55.7346 556980.8134 -3.3098 -3.3048 PRESSURE: 1590800 80.3788 -147.561 -133.12 -147.56 312.33 32.4154 -133.121 32.4147 264.222 GPRESSURE: 1590800 120.676 -161.869 -154.189 -84.0953 338.454 122.02 -116.706 26.573 288.095 PRESSAVG: 1590800 -41.6472 20.6703 34.8796 20.6702 0.260188 -65.098 34.8796 -65.098 2.95897 GPRESSAVG: 1590800 -41.5837 19.0592 37.1925 19.6021 0.274991 -65.0094 33.1656 -64.0104 3.59128 TIMING: 1590800 CPU: 4612.8, 0.00289487/step Wall: 4612.8, 0.00289487/step, 2.74144 hours remaining, 208.871094 MB of memory in use. ENERGY: 1590800 801.4004 2162.5197 1945.8965 119.4324 -207066.0924 18353.8707 0.0000 0.0000 34283.0402 -149399.9325 299.4023 -183682.9727 -149313.9383 298.5043 218.9769 249.0753 556361.2589 -12.8093 -12.5725 PRESSURE: 1591000 -118.353 19.3741 19.381 19.372 -80.6231 25.0059 19.3812 25.0059 -242.442 GPRESSURE: 1591000 -79.308 109.145 57.4307 -4.49016 -75.298 70.1439 -37.567 -42.6952 -183.071 PRESSAVG: 1591000 14.3055 46.1829 27.0265 46.1828 -30.5149 -20.1921 27.0264 -20.1922 42.4706 GPRESSAVG: 1591000 13.0804 47.1127 25.2203 46.7406 -30.1473 -20.5533 27.2713 -22.7227 43.262 TIMING: 1591000 CPU: 4613.38, 0.00290427/step Wall: 4613.38, 0.00290427/step, 2.75018 hours remaining, 208.871094 MB of memory in use. ENERGY: 1591000 760.4900 2078.0044 1956.0190 119.5599 -206031.1208 17481.5570 0.0000 0.0000 34301.3393 -149334.1511 299.5621 -183635.4905 -149240.9338 298.5674 -147.1395 -112.5590 556453.3029 8.7537 8.7317 PRESSURE: 1591200 96.8888 -272.021 -19.8815 -272.021 53.2167 -33.6528 -19.8819 -33.6528 405.588 GPRESSURE: 1591200 136.263 -283.813 -22.7173 -272.341 100.589 -81.523 -70.6872 -60.1727 406.212 PRESSAVG: 1591200 -27.6725 -40.9038 25.2554 -40.9037 -56.7576 -9.29153 25.2555 -9.29149 118.077 GPRESSAVG: 1591200 -27.1002 -42.291 26.0552 -39.7734 -57.7532 -10.6789 26.1853 -7.29767 118.559 TIMING: 1591200 CPU: 4613.96, 0.0029138/step Wall: 4613.96, 0.0029138/step, 2.75904 hours remaining, 208.871094 MB of memory in use. ENERGY: 1591200 745.1601 2122.9024 1951.5700 132.6739 -206442.4048 18002.1681 0.0000 0.0000 34258.5603 -149229.3700 299.1885 -183487.9303 -149135.8375 299.3558 185.2313 214.3546 556017.4756 11.2158 11.2352 PRESSURE: 1591400 36.6051 261.378 -73.2546 261.378 -441.658 -131.786 -73.2555 -131.785 51.9871 GPRESSURE: 1591400 84.6304 219.981 -125.237 195.91 -392.29 -70.0808 -33.1553 -98.6526 46.5624 PRESSAVG: 1591400 2.56319 -33.0371 -70.6076 -33.0371 -5.12456 -11.4111 -70.6075 -11.411 33.8455 GPRESSAVG: 1591400 2.0776 -33.3541 -70.4724 -33.5649 -4.79751 -10.2671 -71.2145 -11.6661 33.6754 TIMING: 1591400 CPU: 4614.55, 0.00293179/step Wall: 4614.55, 0.00293179/step, 2.77592 hours remaining, 208.871094 MB of memory in use. ENERGY: 1591400 741.3632 2123.3427 1934.6796 111.5830 -206018.7635 17628.1053 0.0000 0.0000 34365.6178 -149114.0719 300.1235 -183479.6897 -149017.4798 299.6667 -117.6886 -87.0325 557317.2040 10.4280 10.3185 PRESSURE: 1591600 -4.2267 15.7167 23.272 15.7157 -153.981 146.723 23.2723 146.722 -146.672 GPRESSURE: 1591600 58.184 -61.9972 32.9881 60.9573 -145.577 97.2174 49.6574 221.119 -128.761 PRESSAVG: 1591600 28.8013 17.1574 -32.8081 17.1574 -42.1992 4.6969 -32.8081 4.69682 -2.00062 GPRESSAVG: 1591600 28.4333 18.3979 -31.0727 17.6603 -41.9567 5.47367 -32.7613 4.10583 -1.61034 TIMING: 1591600 CPU: 4615.13, 0.00292732/step Wall: 4615.13, 0.00292732/step, 2.77152 hours remaining, 208.871094 MB of memory in use. ENERGY: 1591600 764.4514 2028.5468 1940.8998 121.1927 -206100.1868 17665.9745 0.0000 0.0000 34235.8270 -149343.2945 298.9900 -183579.1215 -149242.8336 299.1262 -101.6268 -72.0513 557290.0528 -5.1328 -5.0446 PRESSURE: 1591800 129.386 70.2927 72.5699 70.2931 142.952 -109.99 72.5711 -109.99 259.255 GPRESSURE: 1591800 168.916 62.5074 30.4466 55.1859 207.273 -72.6776 45.0612 -216.817 252.28 PRESSAVG: 1591800 -11.2607 28.3944 -39.0673 28.3943 -46.9975 10.7581 -39.0674 10.7581 75.0752 GPRESSAVG: 1591800 -10.6959 27.568 -40.4056 26.1504 -46.6354 9.51198 -38.3201 11.2836 74.4688 TIMING: 1591800 CPU: 4615.72, 0.0029186/step Wall: 4615.72, 0.0029186/step, 2.76311 hours remaining, 208.871094 MB of memory in use. ENERGY: 1591800 730.0526 2106.1011 1928.7959 114.7790 -206349.3070 18085.3584 0.0000 0.0000 34178.5101 -149205.7099 298.4894 -183384.2200 -149107.2347 299.2374 177.1978 209.4895 557389.5724 5.6057 5.7125 PRESSURE: 1592000 -144.191 -194.694 -352.781 -194.695 -328.741 -72.809 -352.781 -72.8087 -239.215 GPRESSURE: 1592000 -140.862 -142.758 -339.612 -195.883 -276.548 -85.477 -306.781 -56.2694 -181.866 PRESSAVG: 1592000 -34.6245 32.2287 -9.22805 32.2286 10.3212 34.2925 -9.22804 34.2923 4.86978 GPRESSAVG: 1592000 -34.3715 32.9362 -9.26372 32.7948 9.26902 33.812 -9.64284 34.3237 5.44263 TIMING: 1592000 CPU: 4616.3, 0.00292278/step Wall: 4616.3, 0.00292278/step, 2.7669 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1592000 789.7176 2104.5619 1913.9276 112.8571 -205698.5758 17272.8183 0.0000 0.0000 34411.7031 -149092.9902 300.5260 -183504.6933 -149005.7783 299.6465 -237.3823 -199.7585 558495.4926 -6.4779 -6.5533 PRESSURE: 1592200 172.839 -30.4304 30.6746 -30.4307 212.167 175.875 30.6751 175.875 -67.6698 GPRESSURE: 1592200 263.02 -50.8166 30.5411 -15.6207 184.948 246.683 -18.4129 132.088 -27.0936 PRESSAVG: 1592200 -55.3027 19.1119 -5.92262 19.1119 36.7837 -25.3306 -5.92258 -25.3305 15.279 GPRESSAVG: 1592200 -55.0618 18.8436 -5.98962 21.034 36.9867 -22.9917 -5.35886 -27.2901 14.6793 TIMING: 1592200 CPU: 4616.89, 0.00294624/step Wall: 4616.89, 0.00294624/step, 2.78894 hours remaining, 208.871094 MB of memory in use. ENERGY: 1592200 748.1233 2085.2500 1939.1397 116.4214 -206027.2990 17768.1311 0.0000 0.0000 34261.6848 -149108.5487 299.2158 -183370.2335 -149015.0004 299.1913 105.7789 140.2913 556933.9095 -1.0800 -1.1319 LDB: ============= START OF LOAD BALANCING ============== 4620.28 LDB: ============== END OF LOAD BALANCING =============== 4620.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4620.28 LDB: ============= START OF LOAD BALANCING ============== 4620.58 LDB: Largest compute 4792 load 0.024878 is 21.1% of average load 0.118018 LDB: Average compute 0.001711 is 1.4% of average load 0.118018 LDB: TIME 4620.58 LOAD: AVG 0.118018 MAX 0.182365 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 4620.58 LOAD: AVG 0.118018 MAX 0.182365 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.344 MB LDB: TIME 4620.58 LOAD: AVG 0.118018 MAX 0.182365 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4620.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4620.59 PRESSURE: 1592400 -35.4732 -23.9297 110.083 -23.9288 70.5505 6.55718 110.083 6.55496 0.538485 GPRESSURE: 1592400 2.83681 -52.5547 168.139 17.8053 82.8882 31.5032 7.32947 3.92834 52.766 PRESSAVG: 1592400 -8.711 20.5208 39.5124 20.5208 9.44893 -13.0692 39.5124 -13.069 38.4568 GPRESSAVG: 1592400 -9.87269 19.0186 41.3742 21.8737 9.59589 -12.3454 38.5195 -12.3302 39.0209 TIMING: 1592400 CPU: 4617.49, 0.00301471/step Wall: 4617.49, 0.00301471/step, 2.85359 hours remaining, 209.574219 MB of memory in use. ENERGY: 1592400 754.7990 2118.8211 1947.6411 131.6924 -206138.8681 17805.6096 0.0000 0.0000 34470.0171 -148910.2878 301.0352 -183380.3049 -148814.8756 299.9887 11.8719 46.1637 556369.8009 13.0649 12.9147 PRESSURE: 1592600 -35.8723 -77.098 126.102 -77.098 161.905 -49.6946 126.102 -49.6943 -125.275 GPRESSURE: 1592600 -34.6112 13.7633 122.617 -94.1846 197.859 -23.4619 203.086 -110.746 -73.4013 PRESSAVG: 1592600 9.64106 19.3641 28.2126 19.3641 7.97359 -33.5487 28.2125 -33.5488 -18.4954 GPRESSAVG: 1592600 11.9781 21.8267 28.0864 17.4647 6.80489 -34.3671 27.6814 -33.5684 -19.7609 TIMING: 1592600 CPU: 4618.08, 0.00292528/step Wall: 4618.08, 0.00292527/step, 2.76877 hours remaining, 209.644531 MB of memory in use. ENERGY: 1592600 734.4879 2088.0240 1945.6655 112.9904 -206017.0669 17714.2145 0.0000 0.0000 34540.2044 -148881.4803 301.6482 -183421.6846 -148787.1720 301.0147 0.2523 29.9490 556639.3735 -0.2936 -0.3260 PRESSURE: 1592800 -143.418 -74.7879 -18.0793 -74.7877 50.994 -29.5979 -18.0788 -29.5993 280.456 GPRESSURE: 1592800 -86.1969 -112.616 -78.7112 -73.9601 52.7738 -43.1841 49.6678 -3.75871 310.849 PRESSAVG: 1592800 -8.18776 37.1407 35.4472 37.1406 105.509 5.00155 35.4472 5.00154 -56.3133 GPRESSAVG: 1592800 -9.13751 35.9739 32.0256 36.574 106.153 3.44484 38.3224 5.87371 -56.3614 TIMING: 1592800 CPU: 4618.66, 0.00290566/step Wall: 4618.66, 0.00290566/step, 2.75005 hours remaining, 209.644531 MB of memory in use. ENERGY: 1592800 769.8684 2099.5033 1953.3440 112.1112 -206310.2605 17913.7437 0.0000 0.0000 34471.8868 -148989.8031 301.0516 -183461.6899 -148886.2978 300.4666 62.6774 92.4753 556722.6046 13.6694 13.5512 PRESSURE: 1593000 -52.9843 16.7411 -68.3394 16.7408 104.59 -35.4617 -68.3383 -35.4608 133.434 GPRESSURE: 1593000 16.2887 16.1593 -25.1776 -19.5011 118.114 -144.444 -118.981 1.00588 153.568 PRESSAVG: 1593000 -21.0624 33.478 -11.6582 33.478 39.2543 1.72122 -11.6583 1.7212 16.4164 GPRESSAVG: 1593000 -21.7308 34.2756 -8.92224 34.9976 38.7437 0.425923 -12.7377 1.88344 17.409 TIMING: 1593000 CPU: 4619.24, 0.00291684/step Wall: 4619.24, 0.00291684/step, 2.76047 hours remaining, 209.644531 MB of memory in use. ENERGY: 1593000 745.8051 2041.9606 1911.7000 118.0388 -205954.9881 17705.1730 0.0000 0.0000 34414.8371 -149017.4734 300.5533 -183432.3106 -148916.0543 300.2417 61.6800 95.9903 556680.8742 11.5361 11.4740 PRESSURE: 1593200 112.397 -33.9464 -43.7012 -33.9455 -219.363 255.966 -43.7001 255.968 -173.661 GPRESSURE: 1593200 150.459 -61.2344 -56.3525 -24.231 -210.402 208.889 -0.173419 229.84 -129.722 PRESSAVG: 1593200 -39.5207 8.65758 9.99405 8.65765 8.25439 -7.83402 9.99411 -7.83401 23.0951 GPRESSAVG: 1593200 -40.004 9.52896 8.87517 6.6449 8.03674 -6.03995 11.762 -6.70485 23.6345 TIMING: 1593200 CPU: 4619.82, 0.00291512/step Wall: 4619.82, 0.00291512/step, 2.75868 hours remaining, 209.644531 MB of memory in use. ENERGY: 1593200 735.2217 2093.3341 1907.4909 110.2379 -205521.2410 17340.1291 0.0000 0.0000 34272.0071 -149062.8202 299.3060 -183334.8273 -148962.6047 300.1416 -93.5421 -63.2217 556435.8458 -2.7237 -2.7776 PRESSURE: 1593400 -89.5584 -26.3509 -144.831 -26.3509 -276.443 -197.128 -144.832 -197.127 10.0754 GPRESSURE: 1593400 -101.418 -50.2556 -133.956 -98.5797 -160.012 -165.524 -139.733 -198.354 2.42788 PRESSAVG: 1593400 8.96089 -27.9951 -14.7619 -27.9951 17.1568 5.64651 -14.7618 5.64647 5.99743 GPRESSAVG: 1593400 9.45197 -29.7971 -13.8088 -26.9973 18.6161 3.57424 -14.9906 3.53885 4.0172 TIMING: 1593400 CPU: 4620.41, 0.00292883/step Wall: 4620.41, 0.00292883/step, 2.77149 hours remaining, 209.644531 MB of memory in use. ENERGY: 1593400 780.0843 2167.1320 1942.6984 119.1287 -206046.4811 17666.4583 0.0000 0.0000 34156.3288 -149214.6508 298.2957 -183370.9795 -149113.3138 299.3092 -118.6421 -86.3343 558290.5610 10.7050 10.6951 PRESSURE: 1593600 -46.7096 109.997 -146.968 109.998 -122.146 55.0144 -146.968 55.0145 106.417 GPRESSURE: 1593600 -46.96 169.036 -137.727 -33.9273 -90.4047 110.105 -168.393 1.3297 181.256 PRESSAVG: 1593600 -2.63003 5.8424 -68.3735 5.84253 71.7742 -54.1398 -68.3736 -54.1399 -69.1591 GPRESSAVG: 1593600 -3.28249 4.04445 -70.6643 5.4385 72.3281 -54.1843 -68.2846 -52.4751 -69.3931 TIMING: 1593600 CPU: 4621, 0.00292579/step Wall: 4621, 0.00292579/step, 2.76845 hours remaining, 209.644531 MB of memory in use. ENERGY: 1593600 737.2586 2088.0641 1934.5099 111.6532 -206038.0048 17859.1707 0.0000 0.0000 34223.0661 -149084.2821 298.8785 -183307.3482 -148983.1568 298.8390 -20.8129 14.6303 558505.2519 -0.0050 -0.1158 PRESSURE: 1593800 -67.3515 69.5169 -70.0922 69.5164 298.043 -53.4785 -70.0916 -53.4809 -30.0675 GPRESSURE: 1593800 -121.062 14.2581 -26.82 111.665 334.209 -119.819 0.861299 -54.3843 71.6185 PRESSAVG: 1593800 -4.77424 50.7126 -30.2781 50.7126 17.1057 -29.5395 -30.2782 -29.5394 -24.326 GPRESSAVG: 1593800 -4.06797 50.9908 -29.6513 52.4585 15.4384 -29.053 -31.0438 -30.2118 -23.3284 TIMING: 1593800 CPU: 4621.58, 0.00291251/step Wall: 4621.58, 0.00291251/step, 2.75572 hours remaining, 209.644531 MB of memory in use. ENERGY: 1593800 751.6264 2052.9519 1904.0294 120.4927 -206063.5236 17873.8308 0.0000 0.0000 34223.5653 -149137.0271 298.8829 -183360.5924 -149041.2188 299.5858 66.8747 94.9218 557955.7920 -3.9982 -3.9860 PRESSURE: 1594000 -201.852 32.9477 110.125 32.9487 -274.451 -77.9347 110.126 -77.934 -103.51 GPRESSURE: 1594000 -161.867 209.373 -38.1252 -27.8935 -278.172 -69.5023 57.9558 -81.2676 -47.8158 PRESSAVG: 1594000 -37.2821 45.9578 18.5527 45.9578 34.0499 -35.8167 18.5528 -35.8167 33.8948 GPRESSAVG: 1594000 -37.2213 48.4796 18.2986 44.8975 34.5271 -35.8082 16.0214 -35.5498 32.7304 TIMING: 1594000 CPU: 4622.16, 0.00290874/step Wall: 4622.16, 0.00290874/step, 2.75199 hours remaining, 209.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1594000 764.2147 2087.1469 1916.8447 111.1152 -206108.6107 17634.1237 0.0000 0.0000 34455.5394 -149139.6261 300.9088 -183595.1655 -149042.8940 299.9051 -193.2711 -162.6184 557770.1140 10.2208 10.0121 PRESSURE: 1594200 -121.429 199.93 49.6436 199.93 -101.872 -41.926 49.6434 -41.9269 -100.933 GPRESSURE: 1594200 -148.951 166.97 -21.0208 197.563 -9.52765 -2.32426 121.13 -61.2281 -66.4778 PRESSAVG: 1594200 -22.9006 4.82363 52.2487 4.82376 -25.3155 -23.203 52.2488 -23.203 75.1821 GPRESSAVG: 1594200 -23.4169 3.78749 54.108 4.45657 -25.1352 -22.0229 53.762 -24.9945 75.9105 TIMING: 1594200 CPU: 4622.74, 0.0028862/step Wall: 4622.74, 0.0028862/step, 2.73051 hours remaining, 209.644531 MB of memory in use. ENERGY: 1594200 748.2005 2102.4912 1926.5964 117.2546 -206064.9789 17739.2139 0.0000 0.0000 34300.4620 -149130.7604 299.5545 -183431.2224 -149033.2494 299.0890 -108.0782 -74.9855 557663.3555 8.9887 9.1194 PRESSURE: 1594400 -11.5406 -54.7413 -114.619 -54.7408 140.175 80.638 -114.62 80.6381 165.223 GPRESSURE: 1594400 -21.4727 -119.382 -97.022 -8.21746 220.062 96.3481 -212.829 24.1271 194.086 PRESSAVG: 1594400 -41.9698 28.4447 54.2016 28.4446 14.1235 15.1533 54.2016 15.1532 39.6454 GPRESSAVG: 1594400 -43.5443 27.001 54.2888 29.301 15.3688 14.7867 52.8389 15.1535 39.8348 TIMING: 1594400 CPU: 4623.32, 0.00289042/step Wall: 4623.32, 0.00289042/step, 2.73434 hours remaining, 209.644531 MB of memory in use. ENERGY: 1594400 772.1999 2103.6564 1965.2426 121.6142 -206414.0598 17998.5231 0.0000 0.0000 34400.3928 -149052.4308 300.4272 -183452.8236 -148956.0983 299.5088 97.9522 130.8916 556358.6426 3.9330 3.8864 PRESSURE: 1594600 164.943 0.871928 -146.917 0.870927 -159.021 54.6069 -146.915 54.6068 -14.3692 GPRESSURE: 1594600 239.767 36.3895 -132.245 17.3009 -153.15 -39.6511 -215.792 144.59 17.6413 PRESSAVG: 1594600 18.4912 -13.0694 -42.5718 -13.0694 9.15716 -14.7281 -42.5718 -14.7281 34.3285 GPRESSAVG: 1594600 20.165 -12.0897 -41.2525 -13.9736 7.57123 -13.8224 -41.8674 -15.1039 34.5447 TIMING: 1594600 CPU: 4623.89, 0.00289582/step Wall: 4623.89, 0.00289582/step, 2.73929 hours remaining, 209.644531 MB of memory in use. ENERGY: 1594600 760.6162 2129.3290 1946.9998 112.6058 -206044.4713 17696.0582 0.0000 0.0000 34401.2374 -148997.6251 300.4346 -183398.8625 -148903.6408 300.6802 -2.8158 34.7530 555924.7197 20.6590 20.7603 PRESSURE: 1594800 115.614 152.644 -75.4845 152.645 61.836 -138.979 -75.4858 -138.979 -33.3895 GPRESSURE: 1594800 158.249 100.206 -113.939 163.7 97.5875 -259.897 -21.4849 -93.961 -10.3327 PRESSAVG: 1594800 -17.2408 -25.8487 45.5768 -25.8488 34.9567 -3.08357 45.5768 -3.08365 -14.4597 GPRESSAVG: 1594800 -16.972 -25.4053 43.6532 -25.495 33.7598 -3.06262 46.5483 -0.979096 -13.75 TIMING: 1594800 CPU: 4624.47, 0.00289936/step Wall: 4624.47, 0.00289936/step, 2.74247 hours remaining, 209.644531 MB of memory in use. ENERGY: 1594800 766.9686 2108.1307 1965.3738 111.4714 -206209.7062 17827.4496 0.0000 0.0000 34546.2767 -148884.0353 301.7012 -183430.3120 -148791.8172 300.7790 48.0203 81.8345 556781.2991 1.0854 1.0126 PRESSURE: 1595000 225.744 203.789 20.7164 203.789 42.2841 171.026 20.7166 171.025 45.1344 GPRESSURE: 1595000 215.157 217.003 47.3194 233.935 72.1144 200.439 -6.79205 139.44 116.458 PRESSAVG: 1595000 -20.4593 -46.922 -39.9111 -46.9221 42.2108 -36.4803 -39.911 -36.4801 -33.0539 GPRESSAVG: 1595000 -21.233 -49.3882 -38.9099 -45.4563 44.312 -35.4381 -39.3563 -37.9087 -33.9802 TIMING: 1595000 CPU: 4625.06, 0.00290915/step Wall: 4625.06, 0.00290915/step, 2.75157 hours remaining, 209.644531 MB of memory in use. ENERGY: 1595000 769.1126 2069.9254 1953.7257 112.2926 -206023.9113 17971.2827 0.0000 0.0000 34232.6650 -148914.9074 298.9624 -183147.5724 -148822.8117 299.4267 104.3874 134.5765 557813.5460 -3.7675 -3.6337 PRESSURE: 1595200 -313.581 57.6105 -167.484 57.61 -55.4397 194.143 -167.485 194.143 -157.325 GPRESSURE: 1595200 -299.842 73.644 -190.656 64.8547 3.96625 283.542 -151.219 134.248 -138.442 PRESSAVG: 1595200 -9.34867 8.67371 2.54982 8.67367 19.917 -30.9178 2.54979 -30.9178 -2.76128 GPRESSAVG: 1595200 -9.16714 12.7257 3.46934 6.44907 19.7004 -31.5689 0.106274 -30.8589 -2.47291 TIMING: 1595200 CPU: 4625.64, 0.00289668/step Wall: 4625.64, 0.00289669/step, 2.73962 hours remaining, 209.644531 MB of memory in use. ENERGY: 1595200 746.8725 2121.5399 1937.2864 122.8043 -205651.8623 17529.3740 0.0000 0.0000 34237.5430 -148956.4423 299.0050 -183193.9852 -148856.9087 299.4608 -175.4485 -144.7726 560438.0831 2.6023 2.6868 PRESSURE: 1595400 -106.836 264.841 65.3623 264.842 -74.1717 -100.09 65.3627 -100.089 358.386 GPRESSURE: 1595400 -82.3086 270.044 77.8661 243.503 -16.6935 -29.6989 131.546 -147.383 373.974 PRESSAVG: 1595400 -23.3778 43.75 13.9548 43.7501 -23.3521 -33.6759 13.9548 -33.6758 2.55722 GPRESSAVG: 1595400 -22.1352 42.3171 13.1254 43.7275 -24.2064 -33.4689 14.3592 -33.0357 2.39878 TIMING: 1595400 CPU: 4626.21, 0.00289242/step Wall: 4626.21, 0.00289242/step, 2.73542 hours remaining, 209.730469 MB of memory in use. ENERGY: 1595400 731.0620 2109.3070 1907.0897 116.4757 -205817.6259 17744.9155 0.0000 0.0000 34230.1275 -148978.6485 298.9402 -183208.7760 -148882.5769 299.1521 59.1262 91.6572 558198.9818 -14.7242 -14.6476 PRESSURE: 1595600 -73.8137 -42.4553 -3.70301 -42.4551 298.322 78.6872 -3.70194 78.6872 141.247 GPRESSURE: 1595600 -17.4451 -37.1069 -35.0957 30.548 292.813 24.7446 42.4696 40.5775 191.739 PRESSAVG: 1595600 -89.1621 -15.5838 43.0852 -15.5838 -24.9898 -36.7833 43.0853 -36.7835 84.5609 GPRESSAVG: 1595600 -89.4393 -17.2902 42.2083 -15.8023 -25.0796 -38.7282 45.3642 -34.7239 85.023 TIMING: 1595600 CPU: 4626.8, 0.00291511/step Wall: 4626.8, 0.00291511/step, 2.75673 hours remaining, 209.730469 MB of memory in use. ENERGY: 1595600 749.0449 2085.5479 1952.1183 101.7405 -206048.6888 17931.4447 0.0000 0.0000 34132.7340 -149096.0584 298.0897 -183228.7925 -149004.4877 298.9159 121.9185 155.7022 557436.0655 -9.8637 -9.8320 PRESSURE: 1595800 -84.826 64.8714 66.0475 64.8711 -50.6783 18.0899 66.0476 18.0893 -191.471 GPRESSURE: 1595800 43.3714 69.2018 -28.0762 26.5034 -58.3358 23.421 54.0831 7.17578 -218.36 PRESSAVG: 1595800 -34.5509 27.7194 7.33176 27.7194 65.8915 -12.437 7.3318 -12.4369 9.66486 GPRESSAVG: 1595800 -33.7747 28.603 7.62008 27.0431 65.231 -10.9129 6.06519 -15.5845 9.00067 TIMING: 1595800 CPU: 4627.38, 0.00290115/step Wall: 4627.38, 0.00290115/step, 2.74336 hours remaining, 209.730469 MB of memory in use. ENERGY: 1595800 719.8736 2040.0371 1991.7704 116.9158 -206059.6183 17700.6724 0.0000 0.0000 34359.3045 -149131.0445 300.0684 -183490.3490 -149040.0651 299.8719 -108.9917 -77.7748 558761.1391 13.6685 13.4857 PRESSURE: 1596000 3.81033 100.476 6.5545 100.475 -146.736 31.7733 6.55423 31.7733 -51.8666 GPRESSURE: 1596000 -9.21122 107.673 -48.9423 38.4048 -82.2251 65.6763 33.4733 72.609 -2.74373 PRESSAVG: 1596000 -9.78705 -9.92222 19.8279 -9.92224 -58.7423 14.836 19.8278 14.8359 69.7536 GPRESSAVG: 1596000 -9.75981 -8.39959 18.126 -9.89427 -58.4771 14.956 20.2117 16.6025 68.8245 TIMING: 1596000 CPU: 4627.96, 0.00290576/step Wall: 4627.96, 0.00290576/step, 2.74756 hours remaining, 209.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1596000 728.1740 2116.4970 1960.8017 121.5954 -206171.5191 17860.3229 0.0000 0.0000 34274.3210 -149109.8071 299.3262 -183384.1280 -149010.7612 299.4901 -64.9306 -31.3933 558767.7663 0.4081 0.1959 PRESSURE: 1596200 -136.2 -121.136 -48.804 -121.135 -209.395 -104.825 -48.8054 -104.823 -193.959 GPRESSURE: 1596200 -183.702 -26.8444 -97.3044 -121.8 -193.022 15.7493 -69.24 -66.4397 -72.2229 PRESSAVG: 1596200 17.1699 29.6807 26.3972 29.6807 -11.0077 16.5955 26.3972 16.5954 -10.9096 GPRESSAVG: 1596200 15.5007 28.3949 27.3299 31.9856 -10.2477 16.8043 24.8246 17.052 -10.451 TIMING: 1596200 CPU: 4628.54, 0.00291142/step Wall: 4628.54, 0.00291142/step, 2.75275 hours remaining, 209.730469 MB of memory in use. ENERGY: 1596200 729.5594 2068.0948 1956.3534 111.4581 -205991.7584 17685.0831 0.0000 0.0000 34217.3107 -149223.8990 298.8283 -183441.2097 -149124.7911 299.0241 -179.8513 -149.6489 560749.5642 -1.5825 -1.7327 LDB: ============= START OF LOAD BALANCING ============== 4631.93 LDB: ============== END OF LOAD BALANCING =============== 4631.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4631.93 LDB: ============= START OF LOAD BALANCING ============== 4632.23 LDB: Largest compute 4820 load 0.023023 is 19.5% of average load 0.117940 LDB: Average compute 0.001720 is 1.5% of average load 0.117940 LDB: TIME 4632.23 LOAD: AVG 0.11794 MAX 0.180247 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 4632.23 LOAD: AVG 0.11794 MAX 0.180247 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 4632.23 LOAD: AVG 0.11794 MAX 0.180247 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: ============== END OF LOAD BALANCING =============== 4632.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4632.24 PRESSURE: 1596400 46.2231 -244.996 -66.9054 -244.998 -45.5252 48.0679 -66.9054 48.0668 5.37869 GPRESSURE: 1596400 43.3499 -177.59 -53.0756 -213.644 -7.49553 8.24158 -53.9506 7.68427 58.2482 PRESSAVG: 1596400 -14.5121 -90.0956 9.47571 -90.0957 43.5038 91.3365 9.47566 91.3367 1.09341 GPRESSAVG: 1596400 -13.8792 -89.9174 10.2382 -92.169 43.0521 91.7137 9.07882 89.9561 0.877642 TIMING: 1596400 CPU: 4629.14, 0.00300064/step Wall: 4629.14, 0.00300064/step, 2.83693 hours remaining, 208.160156 MB of memory in use. ENERGY: 1596400 741.2739 2138.2964 1926.4634 107.9063 -206154.0329 17924.2666 0.0000 0.0000 34191.0807 -149124.7457 298.5992 -183315.8264 -149019.8666 299.1152 2.0255 31.3675 558710.5830 10.0284 10.0169 PRESSURE: 1596600 -171.079 -17.8433 -119.359 -17.8442 -43.7051 16.118 -119.36 16.1189 -178.273 GPRESSURE: 1596600 -142.785 46.4385 -40.1669 10.1097 -15.0058 -56.7735 -143.61 45.0733 -154.734 PRESSAVG: 1596600 -56.2974 -1.94027 -41.1722 -1.94042 32.4271 3.39747 -41.1723 3.39754 -19.4615 GPRESSAVG: 1596600 -56.5869 -1.75317 -42.4267 0.815559 32.3904 2.55664 -40.1174 5.19007 -19.2204 TIMING: 1596600 CPU: 4629.73, 0.0029281/step Wall: 4629.73, 0.0029281/step, 2.76819 hours remaining, 208.160156 MB of memory in use. ENERGY: 1596600 790.8523 2146.4666 1903.2559 100.6801 -205791.7108 17594.0934 0.0000 0.0000 34242.8886 -149013.4738 299.0517 -183256.3624 -148918.4965 299.1840 -131.0189 -104.1749 558337.1362 -14.4439 -14.4723 PRESSURE: 1596800 -1.54855 46.3632 -135.241 46.3618 80.6634 -76.9756 -135.242 -76.976 57.6895 GPRESSURE: 1596800 33.8895 1.07191 -92.7025 5.72917 124.587 -121.003 -54.3709 -106.1 85.4076 PRESSAVG: 1596800 -24.4964 15.7113 -41.6209 15.7113 48.9317 50.2265 -41.6209 50.2266 -44.3903 GPRESSAVG: 1596800 -24.3926 15.6754 -39.0711 13.0544 47.961 48.8986 -41.9977 50.3509 -44.11 TIMING: 1596800 CPU: 4630.31, 0.00290733/step Wall: 4630.31, 0.00290733/step, 2.74839 hours remaining, 208.160156 MB of memory in use. ENERGY: 1596800 713.5105 2057.2524 1937.0661 116.7182 -206080.9533 17978.2839 0.0000 0.0000 34207.8245 -149070.2976 298.7454 -183278.1222 -148979.2111 299.2061 45.6014 81.2946 558132.9313 -6.6517 -6.8472 PRESSURE: 1597000 -129.024 -46.3936 -4.61526 -46.3938 -0.0390454 -56.4568 -4.61624 -56.4552 28.8909 GPRESSURE: 1597000 -59.8365 11.29 -106.422 15.943 15.8703 -43.4201 72.149 -50.2862 44.2152 PRESSAVG: 1597000 63.3419 -65.5738 3.43998 -65.5737 3.56973 16.095 3.44004 16.0951 3.16407 GPRESSAVG: 1597000 62.9645 -65.9022 1.04779 -65.0493 4.06449 17.5829 4.31401 16.9293 3.00241 TIMING: 1597000 CPU: 4630.88, 0.00288258/step Wall: 4630.88, 0.00288258/step, 2.72484 hours remaining, 208.160156 MB of memory in use. ENERGY: 1597000 727.6817 2047.5965 1924.9571 107.5659 -206191.6266 17784.8163 0.0000 0.0000 34587.9556 -149011.0534 302.0652 -183599.0091 -148911.4594 299.6823 -33.3908 0.0830 558430.1395 23.3586 23.3438 PRESSURE: 1597200 41.6503 -28.6443 154.282 -28.6444 -14.8391 16.8134 154.281 16.8145 220.685 GPRESSURE: 1597200 46.8815 -2.21872 110.778 -77.6624 -11.2473 -13.8013 217.732 33.2471 317.767 PRESSAVG: 1597200 -24.3718 -45.0695 9.76366 -45.0695 37.0006 25.7748 9.7636 25.7747 40.3814 GPRESSAVG: 1597200 -24.6122 -44.0281 10.7571 -45.7898 37.4746 25.4235 10.8381 25.1004 39.6959 TIMING: 1597200 CPU: 4631.46, 0.00288792/step Wall: 4631.46, 0.00288792/step, 2.72972 hours remaining, 208.160156 MB of memory in use. ENERGY: 1597200 737.8028 2035.2337 1925.5421 102.8313 -206149.0108 17903.2993 0.0000 0.0000 34448.7763 -148995.5253 300.8497 -183444.3016 -148900.0926 300.0640 82.4988 117.8003 557038.8075 17.6701 17.5195 PRESSURE: 1597400 8.20741 27.6939 53.1441 27.6958 20.3866 -159.894 53.1441 -159.893 -189.545 GPRESSURE: 1597400 29.1587 76.5672 -35.6693 17.5047 76.3494 -192.092 111.97 -183.661 -164.028 PRESSAVG: 1597400 3.01151 -23.9322 45.024 -23.9322 31.3087 16.8851 45.0239 16.885 35.1952 GPRESSAVG: 1597400 2.85774 -24.3237 45.5904 -21.5428 31.4049 15.0571 43.794 16.4037 35.1701 TIMING: 1597400 CPU: 4632.04, 0.00288235/step Wall: 4632.04, 0.00288235/step, 2.7243 hours remaining, 208.160156 MB of memory in use. ENERGY: 1597400 741.5674 2060.5120 1913.0854 121.0648 -205880.8818 17784.5228 0.0000 0.0000 34325.0851 -148935.0441 299.7695 -183260.1293 -148833.9099 299.6804 -53.6505 -19.5066 561023.4462 23.1718 23.1443 PRESSURE: 1597600 -231.72 107.201 -65.0698 107.201 12.1828 -72.7292 -65.0708 -72.7293 213.919 GPRESSURE: 1597600 -159.434 66.5258 -36.2409 55.8695 40.357 -93.8069 -15.6347 -46.3989 210.272 PRESSAVG: 1597600 -29.4856 4.50155 -32.6938 4.50161 44.2172 -5.78171 -32.6937 -5.78184 -6.40454 GPRESSAVG: 1597600 -28.8447 5.153 -33.6898 3.81957 42.6836 -2.21279 -31.9146 -6.18049 -5.03307 TIMING: 1597600 CPU: 4632.62, 0.0029052/step Wall: 4632.62, 0.0029052/step, 2.74573 hours remaining, 208.160156 MB of memory in use. ENERGY: 1597600 782.2632 2088.8870 1942.5174 112.4909 -206376.0881 18031.1774 0.0000 0.0000 34413.7681 -149004.9840 300.5440 -183418.7521 -148909.0395 299.6167 -1.8728 30.3985 558351.2058 2.7757 2.9353 PRESSURE: 1597800 -52.9058 -76.713 83.8165 -76.7127 30.0138 -94.3824 83.816 -94.3813 27.6096 GPRESSURE: 1597800 29.0123 -72.3577 38.7169 -66.383 6.62963 -114.974 169.7 -41.6403 63.587 PRESSAVG: 1597800 -35.9667 28.0469 -26.3127 28.0469 5.57523 14.9185 -26.3127 14.9185 31.4091 GPRESSAVG: 1597800 -35.3029 27.0964 -25.2705 27.9819 6.93534 14.8677 -27.5881 16.1043 29.6892 TIMING: 1597800 CPU: 4633.19, 0.00287711/step Wall: 4633.19, 0.00287711/step, 2.71903 hours remaining, 208.160156 MB of memory in use. ENERGY: 1597800 747.8347 2076.5957 1946.2491 120.7573 -205863.5978 17808.0789 0.0000 0.0000 34231.7878 -148932.2942 298.9547 -183164.0820 -148830.9657 299.5632 1.5726 33.0763 558827.8927 0.3392 0.4406 PRESSURE: 1598000 50.4613 -83.4364 -9.527 -83.4385 -35.1817 22.9325 -9.52699 22.9335 -320.947 GPRESSURE: 1598000 78.6636 -89.7898 -70.2323 -42.9865 -1.27084 2.45743 -27.9312 -2.42728 -300.237 PRESSAVG: 1598000 -33.9365 -23.1465 -7.28225 -23.1465 -3.58733 -1.60701 -7.28225 -1.60701 15.5975 GPRESSAVG: 1598000 -34.0968 -23.339 -8.32419 -21.6702 -5.30939 -3.01209 -5.6559 -3.02662 17.0664 TIMING: 1598000 CPU: 4633.77, 0.00289912/step Wall: 4633.77, 0.00289912/step, 2.73967 hours remaining, 208.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1598000 746.1329 2085.1239 1935.0800 126.5423 -205607.7066 17619.9000 0.0000 0.0000 34207.2198 -148887.7077 298.7402 -183094.9275 -148798.4297 299.4744 -101.8892 -74.2814 558825.9130 -7.3088 -7.4466 PRESSURE: 1598200 132.082 8.1563 1.17738 8.15623 229.955 79.7111 1.17613 79.7117 37.14 GPRESSURE: 1598200 146.682 25.4762 14.4736 -13.8086 269.786 106.778 -76.3714 39.4704 72.6978 PRESSAVG: 1598200 38.3878 -28.1001 -20.271 -28.1 11.9886 -13.956 -20.271 -13.956 -25.9781 GPRESSAVG: 1598200 39.594 -29.5818 -19.8186 -27.1946 11.4476 -13.664 -18.2311 -13.1772 -26.2123 TIMING: 1598200 CPU: 4634.35, 0.00290156/step Wall: 4634.35, 0.00290156/step, 2.74181 hours remaining, 208.160156 MB of memory in use. ENERGY: 1598200 756.2178 2107.0052 1954.8463 112.6153 -206272.9612 17939.4500 0.0000 0.0000 34436.1236 -148966.7031 300.7392 -183402.8267 -148864.6396 299.9993 133.0590 163.0554 557286.3534 8.1328 8.2764 PRESSURE: 1598400 -112.272 100.92 48.8557 100.92 -102.737 60.8071 48.8552 60.8062 -185.673 GPRESSURE: 1598400 -121.082 107.825 -52.8274 70.5574 -71.0201 94.8091 108.747 174.071 -107.786 PRESSAVG: 1598400 -1.59305 28.5145 -10.7474 28.5145 15.4687 17.8149 -10.7474 17.815 -8.07346 GPRESSAVG: 1598400 -3.18463 30.3439 -11.7395 26.852 16.9423 18.9296 -12.1249 17.565 -7.63888 TIMING: 1598400 CPU: 4634.94, 0.0029131/step Wall: 4634.94, 0.0029131/step, 2.75256 hours remaining, 208.160156 MB of memory in use. ENERGY: 1598400 702.2517 2160.2328 1937.2679 118.8337 -205660.4536 17472.9441 0.0000 0.0000 34442.3076 -148826.6158 300.7932 -183268.9233 -148733.8426 299.8510 -133.5608 -99.9625 558949.1247 1.9341 2.0396 PRESSURE: 1598600 171.305 -113.501 -54.8809 -113.501 -10.0186 -122.68 -54.882 -122.681 -260.852 GPRESSURE: 1598600 201.381 -106.145 -46.959 -116.476 11.4181 -72.4697 -12.5946 -91.6879 -201.39 PRESSAVG: 1598600 0.472823 33.1484 -28.7883 33.1484 29.0968 -29.8744 -28.7883 -29.8745 12.7596 GPRESSAVG: 1598600 0.937428 34.1507 -27.5513 32.4017 30.8512 -30.8447 -30.4622 -28.2846 10.3467 TIMING: 1598600 CPU: 4635.53, 0.00293908/step Wall: 4635.53, 0.00293908/step, 2.77694 hours remaining, 208.160156 MB of memory in use. ENERGY: 1598600 775.9494 2151.4617 1956.1837 108.8472 -206365.1043 17947.2484 0.0000 0.0000 34541.8479 -148883.5660 301.6625 -183425.4139 -148783.7931 300.5698 -33.1887 3.8029 558055.6289 14.1097 14.0451 PRESSURE: 1598800 -466.125 -38.9606 -208.584 -38.9617 -329.262 109.993 -208.583 109.993 -229.555 GPRESSURE: 1598800 -465.426 -35.4555 -171.367 -54.8711 -271.665 104.739 -219.454 102.343 -190.54 PRESSAVG: 1598800 -43.3689 27.8346 -23.3505 27.8346 37.3933 -41.1133 -23.3505 -41.1131 1.01961 GPRESSAVG: 1598800 -43.6685 25.6699 -26.2015 29.1408 35.6649 -40.9099 -23.0456 -42.9384 3.01532 TIMING: 1598800 CPU: 4636.11, 0.00292061/step Wall: 4636.11, 0.00292061/step, 2.75933 hours remaining, 208.160156 MB of memory in use. ENERGY: 1598800 773.2159 2129.9778 1943.0443 111.0896 -205646.0509 17266.4540 0.0000 0.0000 34417.8151 -149004.4542 300.5793 -183422.2693 -148908.1603 300.0982 -341.6472 -309.2104 558854.1177 -1.6520 -1.6628 PRESSURE: 1599000 52.0676 -14.0962 -18.3583 -14.0977 -156.55 -155.127 -18.3563 -155.126 29.3455 GPRESSURE: 1599000 63.8533 -74.3032 -110.329 66.1951 -106.577 -127.418 -2.26963 -170.185 57.298 PRESSAVG: 1599000 -12.393 -7.50456 5.13007 -7.50451 -12.4974 -7.98457 5.13013 -7.98461 53.5037 GPRESSAVG: 1599000 -12.3897 -9.15002 8.63706 -7.79369 -13.511 -8.70481 3.88596 -7.45461 54.0669 TIMING: 1599000 CPU: 4636.69, 0.00290819/step Wall: 4636.69, 0.00290819/step, 2.74744 hours remaining, 208.160156 MB of memory in use. ENERGY: 1599000 746.9286 2074.2959 1934.8366 113.2099 -206061.2990 17700.5632 0.0000 0.0000 34545.8625 -148945.6023 301.6976 -183491.4649 -148851.3926 300.4216 -25.0457 4.8581 557987.8432 9.5378 9.3887 PRESSURE: 1599200 -186.378 -72.8295 17.2487 -72.8283 -106.854 2.83115 17.2494 2.83037 68.4089 GPRESSURE: 1599200 -85.8101 -64.2551 -91.1952 -9.64962 -117.999 17.6001 -34.9339 -9.22552 71.8016 PRESSAVG: 1599200 10.6502 33.9977 -11.3951 33.9976 -46.917 -29.7253 -11.3951 -29.7253 31.9682 GPRESSAVG: 1599200 12.7565 36.8505 -13.4004 34.7389 -47.8652 -28.2726 -12.3596 -30.1916 31.0267 TIMING: 1599200 CPU: 4637.27, 0.00288411/step Wall: 4637.27, 0.00288411/step, 2.72452 hours remaining, 208.160156 MB of memory in use. ENERGY: 1599200 771.1447 2122.7028 1937.7822 121.6474 -205904.9219 17663.8430 0.0000 0.0000 34386.6269 -148901.1749 300.3070 -183287.8018 -148799.8141 300.4702 -74.9412 -44.0024 556977.4776 -1.4329 -1.3607 PRESSURE: 1599400 144.944 -42.3431 -50.1931 -42.3425 -147.452 14.3927 -50.1931 14.394 -219.698 GPRESSURE: 1599400 148.475 31.7553 -66.291 -43.4928 -60.293 -4.65233 -79.6202 71.0142 -207.948 PRESSAVG: 1599400 -2.02445 -5.18128 -46.2662 -5.18128 -64.6737 -24.004 -46.2662 -24.004 48.5374 GPRESSAVG: 1599400 -4.24902 -5.71946 -45.3782 -7.08068 -62.4577 -25.0958 -45.9461 -23.0298 48.6844 TIMING: 1599400 CPU: 4637.85, 0.00291242/step Wall: 4637.85, 0.00291242/step, 2.75111 hours remaining, 208.160156 MB of memory in use. ENERGY: 1599400 762.4916 2095.6490 1959.5179 108.4265 -205823.4252 17731.9959 0.0000 0.0000 34210.9643 -148954.3800 298.7729 -183165.3443 -148861.1920 300.0725 -74.0685 -39.9220 557111.3867 -6.0536 -6.0074 PRESSURE: 1599600 -47.8837 156.78 46.0529 156.78 -105.818 84.0686 46.0532 84.0688 15.2834 GPRESSURE: 1599600 -20.9621 125.741 -13.357 182.885 -32.8478 -0.86232 28.6676 151.643 16.014 PRESSAVG: 1599600 -15.8904 -38.6494 3.12318 -38.6493 31.1998 52.6995 3.1232 52.6995 3.1774 GPRESSAVG: 1599600 -14.9713 -37.9392 3.29782 -37.4126 30.2512 54.4971 5.41378 50.7099 3.65415 TIMING: 1599600 CPU: 4638.43, 0.00289332/step Wall: 4638.43, 0.00289332/step, 2.7329 hours remaining, 208.160156 MB of memory in use. ENERGY: 1599600 741.2674 2089.5387 1980.2106 116.1398 -206221.6774 17734.5721 0.0000 0.0000 34448.0218 -149111.9270 300.8431 -183559.9488 -149013.8618 298.9628 -46.1393 -12.5987 556232.6300 6.1623 6.3114 PRESSURE: 1599800 -112.218 2.19442 88.5109 2.19387 -80.2137 -75.5189 88.5113 -75.5188 105.418 GPRESSURE: 1599800 -49.4548 54.2609 8.04122 -8.2234 -25.6099 -105.539 100.921 -112.701 84.5029 PRESSAVG: 1599800 -47.7032 7.39283 38.4517 7.39285 49.7416 -14.375 38.4516 -14.375 16.5933 GPRESSAVG: 1599800 -49.1476 8.14004 37.8578 7.80574 50.3094 -14.7864 37.6402 -13.3103 17.4386 TIMING: 1599800 CPU: 4639.01, 0.00289168/step Wall: 4639.01, 0.00289168/step, 2.73119 hours remaining, 208.160156 MB of memory in use. ENERGY: 1599800 749.8894 2144.9643 1945.4222 118.5468 -206209.0377 17831.7876 0.0000 0.0000 34363.5851 -149054.8423 300.1057 -183418.4274 -148962.4768 299.6671 -29.0046 3.1461 558024.0088 6.2106 6.2001 PRESSURE: 1600000 45.8364 77.2671 104.083 77.2675 -318.821 140.435 104.083 140.436 54.6498 GPRESSURE: 1600000 86.3351 86.7896 115.868 86.0172 -220.865 117.244 135.644 108.369 11.3409 PRESSAVG: 1600000 -67.7427 4.00032 11.415 4.0003 15.6302 13.7141 11.415 13.714 26.7702 GPRESSAVG: 1600000 -66.4266 4.54359 11.0776 2.82915 15.6493 13.0473 11.3464 14.2958 26.1712 TIMING: 1600000 CPU: 4639.59, 0.00289416/step Wall: 4639.59, 0.00289416/step, 2.73337 hours remaining, 208.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1600000 745.0159 2119.6856 1952.6787 116.5214 -206178.4140 17702.9090 0.0000 0.0000 34438.2755 -149103.3279 300.7580 -183541.6034 -149010.4717 299.6249 -72.7783 -41.0631 556544.5915 -8.4474 -8.2020 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.2.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 18.7382 407.025 74.4569 407.025 -133.7 -88.3451 74.457 -88.3456 -1.34131 GPRESSURE: 1600200 116.911 356.595 26.2916 376.175 -151.959 -174.29 20.4381 -87.9631 17.797 PRESSAVG: 1600200 -51.4555 19.378 19.8582 19.378 -39.9677 -59.6909 19.8582 -59.691 91.4448 GPRESSAVG: 1600200 -51.941 17.2061 20.0856 20.215 -39.6199 -59.4214 18.3481 -57.4981 91.8111 TIMING: 1600200 CPU: 4640.19, 0.00299553/step Wall: 4640.19, 0.00299553/step, 2.82894 hours remaining, 208.160156 MB of memory in use. ENERGY: 1600200 776.5208 2126.9613 1956.8451 116.3641 -206245.0517 17901.5285 0.0000 0.0000 34404.5801 -148962.2519 300.4638 -183366.8320 -148869.4434 299.9930 -38.7678 -5.7504 557856.2180 0.0072 0.0834 LDB: ============= START OF LOAD BALANCING ============== 4643.57 LDB: ============== END OF LOAD BALANCING =============== 4643.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4643.57 LDB: ============= START OF LOAD BALANCING ============== 4643.87 LDB: Largest compute 4792 load 0.023163 is 19.6% of average load 0.117990 LDB: Average compute 0.001712 is 1.5% of average load 0.117990 LDB: TIME 4643.87 LOAD: AVG 0.11799 MAX 0.184428 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 4643.87 LOAD: AVG 0.11799 MAX 0.184428 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 4643.87 LOAD: AVG 0.11799 MAX 0.184428 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4643.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4643.87 PRESSURE: 1600400 137.558 21.6133 57.7164 21.612 -93.66 -71.0712 57.7173 -71.0715 -213.102 GPRESSURE: 1600400 149.532 93.4569 20.565 -21.0674 -80.9061 0.090886 69.2597 -1.75706 -126.831 PRESSAVG: 1600400 -19.8439 -0.609358 28.2793 -0.609489 -8.16724 19.3722 28.2793 19.3722 30.8448 GPRESSAVG: 1600400 -18.938 0.765448 27.1279 -1.43467 -7.19854 18.2464 30.1092 18.7515 29.6008 TIMING: 1600400 CPU: 4640.78, 0.00297009/step Wall: 4640.78, 0.00297009/step, 2.80475 hours remaining, 208.359375 MB of memory in use. ENERGY: 1600400 773.0499 2099.5599 1943.4714 110.6407 -206088.9132 17672.8940 0.0000 0.0000 34380.2067 -149109.0905 300.2509 -183489.2973 -149012.9658 299.9502 -56.4014 -19.4016 556592.5770 0.9445 1.1548 PRESSURE: 1600600 77.7236 119.597 -103.064 119.596 -240.97 6.41571 -103.063 6.41651 148.339 GPRESSURE: 1600600 153.476 190.46 -117.435 173.582 -189.568 -22.1003 -90.3111 78.3752 122.165 PRESSAVG: 1600600 5.35926 -20.8685 40.9862 -20.8685 -27.6675 8.38108 40.9862 8.38122 28.9135 GPRESSAVG: 1600600 4.95794 -23.3921 42.7477 -20.052 -28.1654 8.33197 40.4004 7.20019 29.514 TIMING: 1600600 CPU: 4641.36, 0.00290897/step Wall: 4641.36, 0.00290897/step, 2.74687 hours remaining, 208.476562 MB of memory in use. ENERGY: 1600600 762.7735 2126.7224 1943.5703 113.8313 -206115.0959 17751.1583 0.0000 0.0000 34491.0426 -148925.9976 301.2189 -183417.0402 -148823.2446 299.6128 -4.9690 28.6910 556931.5587 2.2018 2.1022 PRESSURE: 1600800 -321.529 -15.8279 130.776 -15.8286 196.674 -87.5045 130.775 -87.5058 -80.7253 GPRESSURE: 1600800 -269.869 -10.7558 107.917 20.5467 217.933 -84.4348 195.64 -127.535 -37.219 PRESSAVG: 1600800 -46.3553 -28.7308 1.94937 -28.7308 21.3262 -30.4373 1.94937 -30.4373 37.9978 GPRESSAVG: 1600800 -46.2493 -27.8084 2.128 -26.9053 21.1754 -28.5933 1.63397 -28.92 38.1609 TIMING: 1600800 CPU: 4641.95, 0.00292213/step Wall: 4641.95, 0.00292213/step, 2.75914 hours remaining, 208.476562 MB of memory in use. ENERGY: 1600800 735.4212 2127.1298 1971.1025 112.7291 -205998.9551 17602.4501 0.0000 0.0000 34423.3226 -149026.7998 300.6274 -183450.1223 -148934.0461 300.4107 -68.5268 -29.7183 558575.8114 4.3229 4.3623 PRESSURE: 1601000 -84.6167 -117.17 31.8568 -117.169 131.615 -112.791 31.8554 -112.79 148.812 GPRESSURE: 1601000 -82.9681 -96.7619 42.3249 -164.997 162.952 -188.813 65.8386 -119.113 215.874 PRESSAVG: 1601000 -9.79861 -8.46589 21.8287 -8.46592 -38.0162 -1.15559 21.8287 -1.15554 -15.585 GPRESSAVG: 1601000 -9.41689 -8.55459 21.9702 -9.00479 -37.5351 -1.81258 23.1986 -1.51603 -16.964 TIMING: 1601000 CPU: 4642.53, 0.00290553/step Wall: 4642.53, 0.00290553/step, 2.74331 hours remaining, 208.476562 MB of memory in use. ENERGY: 1601000 712.8248 2087.1996 1975.6026 117.5516 -206111.8283 17734.4956 0.0000 0.0000 34207.4789 -149276.6753 298.7424 -183484.1542 -149171.5764 299.6558 65.2699 98.6193 557749.7080 -21.1333 -21.3053 PRESSURE: 1601200 230.393 174.31 172.95 174.311 1.98319 -21.0025 172.95 -21.0022 116.11 GPRESSURE: 1601200 272.021 160.126 153.381 146.582 35.7917 20.1926 110.542 -13.3064 124.398 PRESSAVG: 1601200 29.4941 24.6205 6.62237 24.6205 -1.9998 -30.37 6.62244 -30.37 -36.3035 GPRESSAVG: 1601200 29.3767 24.0349 9.07905 25.3663 -2.23487 -30.7668 2.57382 -30.3867 -35.5846 TIMING: 1601200 CPU: 4643.11, 0.00292264/step Wall: 4643.11, 0.00292264/step, 2.75929 hours remaining, 208.476562 MB of memory in use. ENERGY: 1601200 776.8807 2099.8815 1944.7880 108.0823 -206615.0512 18182.7738 0.0000 0.0000 34234.5226 -149268.1223 298.9786 -183502.6449 -149172.2599 299.1991 116.1622 144.0701 557846.1616 -2.9364 -2.8143 PRESSURE: 1601400 -254.866 106.865 5.73654 106.865 429.764 32.5052 5.7359 32.505 -32.781 GPRESSURE: 1601400 -156.262 99.3977 -0.619017 70.5632 389.9 14.4461 -18.9735 33.561 0.711008 PRESSAVG: 1601400 -47.1317 25.111 -25.8695 25.1109 38.9645 28.3704 -25.8695 28.3703 20.4044 GPRESSAVG: 1601400 -46.7498 25.1837 -28.9052 23.643 37.9911 29.1352 -23.5505 28.9074 21.2118 TIMING: 1601400 CPU: 4643.7, 0.00292472/step Wall: 4643.7, 0.00292472/step, 2.7611 hours remaining, 208.476562 MB of memory in use. ENERGY: 1601400 764.7743 2061.0185 1956.3795 119.3701 -206588.4659 17951.0452 0.0000 0.0000 34306.9359 -149428.9424 299.6110 -183735.8784 -149335.1216 299.3654 47.3722 78.1163 557080.8623 4.0791 4.1510 PRESSURE: 1601600 110.465 -52.8909 140.911 -52.8896 -27.5418 196.197 140.911 196.196 -51.9626 GPRESSURE: 1601600 132.022 -89.5398 139.829 -21.7429 38.8746 142.791 157.977 224.133 -43.3858 PRESSAVG: 1601600 39.0141 36.1932 -11.6567 36.1931 -6.71757 46.2261 -11.6567 46.2261 -24.2038 GPRESSAVG: 1601600 38.354 37.6034 -12.7355 34.9164 -5.65957 47.2997 -10.1299 45.0157 -24.5235 TIMING: 1601600 CPU: 4644.28, 0.00292834/step Wall: 4644.28, 0.00292834/step, 2.76435 hours remaining, 208.476562 MB of memory in use. ENERGY: 1601600 758.6090 2054.8455 1941.8324 112.9015 -206529.4340 17923.2683 0.0000 0.0000 34318.0220 -149419.9552 299.7078 -183737.9772 -149322.8444 298.5658 10.3204 42.5035 557044.8291 2.6976 2.7236 PRESSURE: 1601800 -150.194 30.9748 69.1314 30.9752 -12.8719 -56.9808 69.1312 -56.98 71.6683 GPRESSURE: 1601800 -63.7139 58.0259 187.611 65.5313 -20.394 -104.411 28.3637 19.3077 85.3303 PRESSAVG: 1601800 15.2968 -15.7854 -18.1741 -15.7855 6.57103 45.5101 -18.1741 45.5101 -17.8543 GPRESSAVG: 1601800 15.3378 -15.6424 -16.8127 -15.2353 4.82638 46.3176 -20.3529 47.1226 -16.469 TIMING: 1601800 CPU: 4644.86, 0.00289985/step Wall: 4644.86, 0.00289985/step, 2.7373 hours remaining, 208.476562 MB of memory in use. ENERGY: 1601800 736.2247 2038.4690 1939.3180 118.8171 -206100.7026 17857.6232 0.0000 0.0000 34179.9334 -149230.3171 298.5019 -183410.2505 -149127.1090 299.1230 -30.4659 0.4075 557935.2526 1.3379 1.2317 PRESSURE: 1602000 -167.19 11.4523 77.0058 11.4522 67.295 -65.7321 77.0073 -65.7325 -198.632 GPRESSURE: 1602000 -166.229 -23.1391 121.922 37.4441 58.4504 -59.6932 76.9894 -63.2179 -102.416 PRESSAVG: 1602000 -27.2507 -37.4695 24.9798 -37.4696 -15.8619 -36.186 24.9798 -36.186 37.3868 GPRESSAVG: 1602000 -26.8287 -38.8313 23.5922 -36.8229 -13.3377 -37.0535 25.7387 -36.2837 34.6342 TIMING: 1602000 CPU: 4645.44, 0.00290018/step Wall: 4645.44, 0.00290018/step, 2.73745 hours remaining, 208.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1602000 719.9545 2080.6392 1955.4076 93.6232 -205582.3362 17384.4915 0.0000 0.0000 34227.2435 -149120.9765 298.9150 -183348.2201 -149027.0346 299.3557 -99.5089 -70.0648 555931.9731 -1.9086 -1.8441 PRESSURE: 1602200 -135.354 -60.252 198.942 -60.2525 -153.992 -29.5549 198.94 -29.5537 -273.316 GPRESSURE: 1602200 -143.68 -50.745 253.135 -31.5836 -47.2215 1.25394 139.591 -48.2729 -274.317 PRESSAVG: 1602200 43.8067 -8.43823 25.2464 -8.4382 -16.339 -32.1561 25.2464 -32.1561 1.45271 GPRESSAVG: 1602200 44.1845 -8.70353 26.4702 -7.0933 -17.4396 -31.7896 25.4008 -33.6088 2.40648 TIMING: 1602200 CPU: 4646.02, 0.00290264/step Wall: 4646.02, 0.00290264/step, 2.73961 hours remaining, 208.476562 MB of memory in use. ENERGY: 1602200 736.7150 2035.6812 1955.9556 100.5037 -205633.0249 17343.5370 0.0000 0.0000 34550.2723 -148910.3601 301.7361 -183460.6324 -148812.8336 300.6791 -187.5541 -155.0727 556537.0826 9.6401 9.7171 PRESSURE: 1602400 71.6976 -304.805 -3.97023 -304.804 -87.538 -196.963 -3.96996 -196.963 -245.485 GPRESSURE: 1602400 101.569 -343.761 13.3549 -270.701 -82.7488 -187.097 1.08232 -173.303 -174.751 PRESSAVG: 1602400 42.5658 -55.6271 29.5748 -55.6271 -35.4276 -5.7596 29.5747 -5.75954 1.52343 GPRESSAVG: 1602400 42.6434 -54.5918 31.6693 -57.0892 -35.7974 -6.08434 29.779 -5.53015 2.29734 TIMING: 1602400 CPU: 4646.61, 0.00291367/step Wall: 4646.61, 0.00291367/step, 2.74985 hours remaining, 208.476562 MB of memory in use. ENERGY: 1602400 744.9959 2090.5820 1933.0592 106.9340 -205796.8444 17504.1930 0.0000 0.0000 34496.7837 -148920.2968 301.2690 -183417.0805 -148819.4454 301.0164 -87.1084 -51.9769 557093.7425 2.8872 3.0478 PRESSURE: 1602600 13.3719 82.0676 -28.974 82.0665 -107.331 -58.5825 -28.9745 -58.5817 14.3605 GPRESSURE: 1602600 44.7089 -14.7018 39.9049 89.124 -39.5918 -142.139 -75.9358 18.3879 34.1219 PRESSAVG: 1602600 -23.7157 -60.4909 48.0406 -60.4909 6.73627 40.3788 48.0406 40.3788 9.5959 GPRESSAVG: 1602600 -24.4608 -60.2572 46.147 -59.2949 6.31342 41.1625 46.4039 40.8802 10.4052 TIMING: 1602600 CPU: 4647.19, 0.00290009/step Wall: 4647.19, 0.00290009/step, 2.73688 hours remaining, 208.476562 MB of memory in use. ENERGY: 1602600 747.8149 2059.6983 1948.9331 112.2530 -206198.8012 17771.7025 0.0000 0.0000 34531.5698 -149026.8295 301.5728 -183558.3994 -148932.4815 301.1320 -26.5327 13.0797 558358.3260 -2.4612 -2.5807 PRESSURE: 1602800 -290.946 -132.075 -160.684 -132.076 -225.798 -19.7904 -160.684 -19.7913 -265.569 GPRESSURE: 1602800 -280.148 -109.451 -138.724 -120.016 -158.07 -79.7618 -99.4759 -99.4076 -244.439 PRESSAVG: 1602800 -51.8261 -44.7516 15.4826 -44.7517 63.9952 -22.3218 15.4827 -22.3219 -9.87111 GPRESSAVG: 1602800 -52.8116 -46.4426 16.4162 -44.9842 64.1724 -24.9471 15.8523 -23.245 -9.27295 TIMING: 1602800 CPU: 4647.76, 0.00289308/step Wall: 4647.76, 0.00289308/step, 2.7301 hours remaining, 208.476562 MB of memory in use. ENERGY: 1602800 703.8263 2085.9178 1970.9331 117.4160 -205377.7111 17286.7746 0.0000 0.0000 34396.6279 -148816.2154 300.3943 -183212.8433 -148718.5293 300.1919 -260.7707 -227.5525 557582.4879 0.7660 0.6960 PRESSURE: 1603000 -555.179 62.3944 138.402 62.3969 -126.597 77.0897 138.402 77.0903 -232.629 GPRESSURE: 1603000 -507.042 63.4189 157.238 38.9833 -106.275 77.9154 103.094 33.8789 -196.023 PRESSAVG: 1603000 -98.703 0.928707 15.652 0.928728 65.1596 -28.2224 15.6521 -28.2223 4.1515 GPRESSAVG: 1603000 -98.3712 2.15985 13.9164 -0.00430128 66.2224 -27.6273 17.9979 -24.7819 2.58681 TIMING: 1603000 CPU: 4648.34, 0.00287029/step Wall: 4648.34, 0.00287029/step, 2.70843 hours remaining, 208.476562 MB of memory in use. ENERGY: 1603000 733.0870 2163.0946 1944.7916 119.6164 -205799.3730 17328.0365 0.0000 0.0000 34521.5267 -148989.2201 301.4851 -183510.7469 -148891.0096 300.4575 -304.8014 -269.7799 558830.1807 -9.7973 -9.8540 PRESSURE: 1603200 17.3352 -10.8735 -35.5017 -10.8738 -18.72 34.5459 -35.5009 34.5445 -274.475 GPRESSURE: 1603200 6.56111 -99.6005 -98.3123 -48.7769 22.0672 31.8059 -96.1369 -2.69977 -209.745 PRESSAVG: 1603200 32.0129 -20.9852 54.9093 -20.9852 -40.419 11.0164 54.9093 11.0165 28.6841 GPRESSAVG: 1603200 31.3296 -21.9941 54.3072 -23.0457 -42.2437 12.6882 53.3517 8.9396 30.6058 TIMING: 1603200 CPU: 4648.92, 0.00289734/step Wall: 4648.92, 0.00289734/step, 2.7338 hours remaining, 208.476562 MB of memory in use. ENERGY: 1603200 711.5055 2110.5263 1948.3294 110.7584 -206050.2700 17611.1006 0.0000 0.0000 34462.2985 -149095.7513 300.9678 -183558.0498 -148999.7698 300.6573 -91.9533 -60.3723 558375.6537 6.7593 6.5639 PRESSURE: 1603400 -28.0024 -9.11912 -94.7963 -9.11836 22.2962 -3.47277 -94.7951 -3.4727 -282.338 GPRESSURE: 1603400 -9.03433 -58.2528 6.28601 -41.1021 44.7062 32.1195 -135.414 -5.14484 -240.292 PRESSAVG: 1603400 -4.05581 6.82295 22.2844 6.82301 40.9471 -27.5532 22.2843 -27.5534 -64.94 GPRESSAVG: 1603400 -3.96608 9.26733 23.1104 7.41672 42.6823 -26.4127 22.7742 -30.852 -67.205 TIMING: 1603400 CPU: 4649.5, 0.00290749/step Wall: 4649.5, 0.00290749/step, 2.74322 hours remaining, 208.476562 MB of memory in use. ENERGY: 1603400 748.6269 2075.9319 1951.3875 116.9026 -205854.5693 17649.1269 0.0000 0.0000 34304.3839 -149008.2096 299.5887 -183312.5935 -148921.8781 299.7292 -96.0148 -68.2066 558529.5227 -9.3496 -9.4963 PRESSURE: 1603600 -199.164 4.00881 -169.168 4.00772 -33.1539 50.5031 -169.168 50.5046 -142.822 GPRESSURE: 1603600 -207.927 19.1272 -49.613 -50.3737 8.9789 99.4266 -207.826 55.684 -81.3982 PRESSAVG: 1603600 -34.74 57.325 -25.9152 57.325 47.5855 -5.78735 -25.9152 -5.7874 -14.3438 GPRESSAVG: 1603600 -34.0544 57.8664 -25.8594 57.5234 46.463 -8.41954 -24.1702 -3.25951 -13.6497 TIMING: 1603600 CPU: 4650.08, 0.00289236/step Wall: 4650.08, 0.00289236/step, 2.72878 hours remaining, 208.476562 MB of memory in use. ENERGY: 1603600 770.9286 2103.1965 1946.8356 109.2259 -206149.9500 17716.9981 0.0000 0.0000 34478.7201 -149024.0452 301.1112 -183502.7653 -148926.0800 300.2257 -125.0467 -93.4487 558562.6946 -0.4994 -0.4137 PRESSURE: 1603800 -45.3926 100.164 22.3755 100.163 -78.6813 72.4206 22.3763 72.4217 107.523 GPRESSURE: 1603800 -23.7008 155.501 -3.18621 140.188 -33.0981 53.1895 22.2874 8.56455 143.58 PRESSAVG: 1603800 -46.5943 42.4124 -11.3029 42.4124 1.99708 -12.3145 -11.3029 -12.3143 27.7644 GPRESSAVG: 1603800 -46.4623 38.0149 -10.5083 46.0589 1.89726 -12.9373 -12.7271 -12.59 28.0989 TIMING: 1603800 CPU: 4650.66, 0.00289816/step Wall: 4650.66, 0.00289816/step, 2.73409 hours remaining, 208.476562 MB of memory in use. ENERGY: 1603800 726.7317 2071.9803 1962.5587 113.0765 -205995.7224 17797.0569 0.0000 0.0000 34225.1080 -149099.2104 298.8964 -183324.3183 -149001.0205 299.7075 -5.5171 28.9272 558935.6013 -5.6109 -5.4887 PRESSURE: 1604000 -121.027 71.1213 -0.860299 71.1227 -95.4507 -41.449 -0.861075 -41.4488 191.139 GPRESSURE: 1604000 -102.307 14.9135 -7.22982 65.0166 -64.4267 -55.6846 -28.1082 -71.6773 233.052 PRESSAVG: 1604000 15.1327 -32.2804 -74.4767 -32.2805 -29.0856 16.0586 -74.4767 16.0586 46.9424 GPRESSAVG: 1604000 14.5304 -30.5555 -74.8494 -35.3557 -28.2967 16.262 -76.7741 17.4146 47.0057 TIMING: 1604000 CPU: 4651.23, 0.00289069/step Wall: 4651.23, 0.00289069/step, 2.72688 hours remaining, 208.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1604000 719.3765 2096.9661 1968.8395 128.1108 -206133.0610 17776.2091 0.0000 0.0000 34236.2507 -149207.3084 298.9937 -183443.5591 -149110.4468 299.1466 -8.4464 22.1061 558901.0570 10.9965 11.0798 PRESSURE: 1604200 91.6651 113.605 86.2596 113.604 53.6605 54.718 86.2592 54.7166 96.399 GPRESSURE: 1604200 91.2876 150.86 34.2116 81.4453 138.502 -77.5082 237.447 85.8481 96.945 PRESSAVG: 1604200 -70.0466 -13.8875 -6.98296 -13.8876 7.17478 -40.1924 -6.98299 -40.1924 16.0766 GPRESSAVG: 1604200 -70.4099 -13.8645 -7.15933 -12.1398 7.97087 -39.714 -5.8202 -42.4465 15.124 TIMING: 1604200 CPU: 4651.82, 0.00291949/step Wall: 4651.82, 0.00291949/step, 2.75389 hours remaining, 208.476562 MB of memory in use. ENERGY: 1604200 804.2763 2061.9159 1948.3197 107.7543 -206472.7051 18057.8146 0.0000 0.0000 34432.0362 -149060.5882 300.7035 -183492.6243 -148960.6327 299.2910 80.5749 108.9117 556388.2617 -15.5984 -15.7717 LDB: ============= START OF LOAD BALANCING ============== 4655.21 LDB: ============== END OF LOAD BALANCING =============== 4655.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4655.21 LDB: ============= START OF LOAD BALANCING ============== 4655.5 LDB: Largest compute 4800 load 0.021982 is 18.6% of average load 0.117935 LDB: Average compute 0.001736 is 1.5% of average load 0.117935 LDB: TIME 4655.5 LOAD: AVG 0.117935 MAX 0.180836 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.395 MB LDB: TIME 4655.5 LOAD: AVG 0.117935 MAX 0.180836 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.594 MB LDB: TIME 4655.5 LOAD: AVG 0.117935 MAX 0.180836 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4655.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4655.51 PRESSURE: 1604400 -269.295 28.8869 108.641 28.8867 -19.9278 148.29 108.641 148.29 -13.3247 GPRESSURE: 1604400 -247.245 12.2814 49.0043 64.0858 17.8354 189.415 101.091 92.3993 28.4029 PRESSAVG: 1604400 51.2809 -16.6541 29.9772 -16.654 -88.06 33.3804 29.9773 33.3804 16.9283 GPRESSAVG: 1604400 50.6434 -16.5315 27.6517 -16.514 -88.9892 32.5335 31.4629 34.9953 18.2037 TIMING: 1604400 CPU: 4652.41, 0.00296631/step Wall: 4652.41, 0.00296631/step, 2.79789 hours remaining, 209.375000 MB of memory in use. ENERGY: 1604400 758.9051 2085.3439 1956.2125 119.7433 -205808.9670 17513.6400 0.0000 0.0000 34157.1932 -149217.9289 298.3033 -183375.1221 -149116.9777 299.3955 -100.8491 -67.0021 557460.5815 -6.6169 -6.7140 PRESSURE: 1604600 -103.925 -15.8801 0.177056 -15.8798 -213.078 92.5354 0.178751 92.5362 -151.023 GPRESSURE: 1604600 -117.652 11.009 -102.8 -10.5986 -148.152 101.074 130.339 89.543 -92.1361 PRESSAVG: 1604600 -15.5138 -6.13016 -15.8752 -6.13004 6.93183 75.5734 -15.8751 75.5732 -23.5535 GPRESSAVG: 1604600 -16.3384 -3.8719 -14.5991 -6.86662 7.62726 76.3608 -15.299 73.4509 -23.6477 TIMING: 1604600 CPU: 4652.99, 0.00288341/step Wall: 4652.99, 0.00288341/step, 2.71954 hours remaining, 209.574219 MB of memory in use. ENERGY: 1604600 783.7239 2110.7726 1952.7413 110.5547 -206187.3160 17719.0893 0.0000 0.0000 34284.8823 -149225.5520 299.4184 -183510.4343 -149133.4805 299.0611 -156.0088 -119.3134 555192.3894 -10.7118 -10.7863 PRESSURE: 1604800 -23.2483 212.528 -130.237 212.528 -32.082 -49.1832 -130.239 -49.1825 39.016 GPRESSURE: 1604800 6.33823 185.306 -164.462 191.212 6.29932 -26.5493 -49.4731 -39.021 64.4706 PRESSAVG: 1604800 47.406 6.84942 49.2118 6.84945 -56.074 40.7139 49.2118 40.714 33.0538 GPRESSAVG: 1604800 49.4483 4.42563 50.1694 6.83366 -58.4524 41.6769 46.5936 42.554 33.1755 TIMING: 1604800 CPU: 4653.57, 0.00291528/step Wall: 4653.57, 0.00291528/step, 2.74944 hours remaining, 209.574219 MB of memory in use. ENERGY: 1604800 762.2672 2023.6318 1948.5087 116.4321 -206243.2725 17727.6046 0.0000 0.0000 34372.8584 -149291.9697 300.1867 -183664.8281 -149196.4470 299.1042 -5.4381 25.7027 556457.0129 8.1286 8.0571 PRESSURE: 1605000 -136.4 -37.4651 -57.2669 -37.4651 -152.471 62.564 -57.2666 62.5641 -165.52 GPRESSURE: 1605000 -145.446 -49.8365 10.9907 -44.8562 -87.6354 89.0064 -106.744 34.2212 -114.262 PRESSAVG: 1605000 8.41038 -12.9778 7.08934 -12.9779 20.5508 -1.36788 7.08931 -1.36791 -11.9922 GPRESSAVG: 1605000 7.73537 -12.0481 5.4396 -14.2898 21.8424 -3.49561 9.48402 -0.406494 -12.7186 TIMING: 1605000 CPU: 4654.16, 0.00293312/step Wall: 4654.16, 0.00293312/step, 2.7661 hours remaining, 209.574219 MB of memory in use. ENERGY: 1605000 766.0289 2083.4394 1963.9859 117.4867 -206209.7908 17753.9137 0.0000 0.0000 34169.7329 -149355.2034 298.4128 -183524.9362 -149263.7319 298.8828 -151.4634 -115.7811 557679.3406 5.6563 5.6197 PRESSURE: 1605200 85.4199 -69.8495 -24.0669 -69.8484 12.8826 -110.141 -24.0642 -110.141 181.34 GPRESSURE: 1605200 73.1217 -61.9689 -43.5905 -146.768 36.3245 -37.0417 -97.1623 -97.0732 267.265 PRESSAVG: 1605200 -32.4058 -81.4423 -0.558054 -81.4423 -32.3965 4.01707 -0.558065 4.0171 33.457 GPRESSAVG: 1605200 -31.6894 -81.912 -0.364864 -78.8712 -32.3719 5.8226 -1.54025 1.93961 33.0316 TIMING: 1605200 CPU: 4654.74, 0.0029108/step Wall: 4654.74, 0.00291079/step, 2.74488 hours remaining, 209.574219 MB of memory in use. ENERGY: 1605200 733.7662 2075.7001 1965.0572 103.4165 -206363.8285 18079.5415 0.0000 0.0000 34281.2921 -149125.0548 299.3871 -183406.3469 -149030.7074 298.9269 93.2142 125.5703 558261.2508 -10.4484 -10.3433 PRESSURE: 1605400 -288.524 -41.2675 151.601 -41.2684 -39.0856 -43.3015 151.602 -43.3016 -345.512 GPRESSURE: 1605400 -225.268 -15.6671 227.755 -129.335 -21.2505 -90.396 167.914 -51.8173 -325.927 PRESSAVG: 1605400 -18.6589 0.409989 -36.0817 0.40997 -14.8585 64.779 -36.0816 64.7791 19.0569 GPRESSAVG: 1605400 -20.3407 0.383932 -35.8064 -2.81019 -13.8226 65.6217 -36.0887 65.0122 19.9738 TIMING: 1605400 CPU: 4655.32, 0.00288955/step Wall: 4655.32, 0.00288955/step, 2.72469 hours remaining, 209.574219 MB of memory in use. ENERGY: 1605400 780.7389 2078.2836 1957.2422 120.2692 -205935.8277 17503.9159 0.0000 0.0000 34229.4590 -149265.9189 298.9344 -183495.3779 -149168.0644 299.0072 -224.3738 -190.8152 558091.7777 -4.8202 -4.7298 PRESSURE: 1605600 -214.363 -7.96804 125.102 -7.96788 -262.033 -45.1147 125.101 -45.1156 -368.99 GPRESSURE: 1605600 -203.03 -3.67785 135.816 5.74945 -242.663 45.7699 174.85 -30.8079 -306.445 PRESSAVG: 1605600 -1.41245 -26.0598 -23.6203 -26.0597 14.2361 24.515 -23.6204 24.5149 -40.9346 GPRESSAVG: 1605600 -0.9353 -25.5167 -23.9604 -24.5974 13.8563 24.3547 -21.6899 26.0229 -41.1882 TIMING: 1605600 CPU: 4655.9, 0.00289008/step Wall: 4655.9, 0.00289008/step, 2.72502 hours remaining, 209.574219 MB of memory in use. ENERGY: 1605600 770.4629 2068.8625 1952.7647 118.8465 -205639.2917 17421.5142 0.0000 0.0000 34141.6075 -149165.2335 298.1671 -183306.8410 -149065.4491 299.0643 -281.7955 -250.7128 558243.5195 -9.3703 -9.4224 PRESSURE: 1605800 14.1724 -224.478 -121.38 -224.478 157.008 -97.1394 -121.38 -97.1374 106.09 GPRESSURE: 1605800 7.91061 -209.871 -75.2623 -297.841 220.636 -99.6458 -149.14 -46.2463 152.09 PRESSAVG: 1605800 -21.3875 -49.5973 -10.1311 -49.5973 -4.87852 12.2933 -10.1312 12.2933 15.7991 GPRESSAVG: 1605800 -21.3338 -48.8791 -9.14456 -51.4628 -3.61917 10.9409 -12.6782 12.7641 14.9542 TIMING: 1605800 CPU: 4656.48, 0.00290068/step Wall: 4656.48, 0.00290068/step, 2.73486 hours remaining, 209.843750 MB of memory in use. ENERGY: 1605800 721.3897 2008.5497 1942.6029 114.9239 -206250.4714 17934.6598 0.0000 0.0000 34327.8028 -149200.5427 299.7932 -183528.3455 -149106.4839 299.0212 92.4235 126.8787 557319.1438 -3.4890 -3.3329 PRESSURE: 1606000 106.201 12.3396 193.049 12.3397 101.391 16.9937 193.049 16.9952 -36.4778 GPRESSURE: 1606000 143.661 -26.6152 150.747 37.316 115.995 -6.78135 191.012 9.43173 -7.38483 PRESSAVG: 1606000 -33.6856 28.6076 -3.74148 28.6075 1.67663 -3.93656 -3.74154 -3.9366 28.2342 GPRESSAVG: 1606000 -33.356 28.9838 -3.73647 30.016 1.30784 -2.14331 -1.98864 -6.53252 28.4478 TIMING: 1606000 CPU: 4657.06, 0.00289761/step Wall: 4657.06, 0.00289761/step, 2.73181 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1606000 773.1674 2067.1656 1950.0181 114.8060 -206404.7143 17999.7114 0.0000 0.0000 34455.0681 -149044.7776 300.9047 -183499.8457 -148947.2200 299.7483 57.0382 84.0906 557196.6180 -1.2583 -1.2001 PRESSURE: 1606200 -296.983 134.873 -49.7631 134.872 -54.0792 58.214 -49.764 58.2142 -0.19795 GPRESSURE: 1606200 -250.3 132.636 -52.5733 113.402 -31.1871 143.104 -23.8307 95.3068 19.3798 PRESSAVG: 1606200 31.4883 -42.0714 12.6817 -42.0716 -17.4126 -9.73051 12.6817 -9.7305 -21.4312 GPRESSAVG: 1606200 30.5795 -44.372 10.9155 -42.4937 -17.497 -10.6909 10.6748 -9.14187 -20.7767 TIMING: 1606200 CPU: 4657.63, 0.00288781/step Wall: 4657.63, 0.00288781/step, 2.72241 hours remaining, 209.843750 MB of memory in use. ENERGY: 1606200 732.2256 2113.4357 1934.4026 107.6594 -206003.6579 17611.4573 0.0000 0.0000 34278.6093 -149225.8680 299.3636 -183504.4773 -149130.0884 299.2629 -117.0868 -87.3690 558359.7668 -2.4518 -2.5647 PRESSURE: 1606400 -40.581 -10.1346 45.4104 -10.1355 -32.5575 89.7868 45.4103 89.7869 -144.619 GPRESSURE: 1606400 24.7836 -44.4817 44.3475 -4.65388 -21.7467 72.7958 -19.1638 94.8151 -127.07 PRESSAVG: 1606400 -57.3854 9.49513 30.5271 9.49504 75.7847 31.9204 30.5271 31.9204 -8.69948 GPRESSAVG: 1606400 -56.8332 10.676 30.3706 10.016 76.2486 31.4373 33.6795 32.016 -9.62123 TIMING: 1606400 CPU: 4658.21, 0.0028901/step Wall: 4658.21, 0.0028901/step, 2.7244 hours remaining, 209.843750 MB of memory in use. ENERGY: 1606400 732.3211 2080.1905 1913.1079 118.4529 -206262.5377 17771.1381 0.0000 0.0000 34205.4081 -149441.9191 298.7243 -183647.3273 -149349.6543 298.7707 -72.5860 -41.3444 557359.7109 3.2333 3.2647 PRESSURE: 1606600 -18.1227 -145.175 22.5947 -145.176 142.135 -198.137 22.5943 -198.135 191.58 GPRESSURE: 1606600 9.18422 -154.235 13.4703 -136.57 155.257 -206.437 -2.54481 -179.246 261.411 PRESSAVG: 1606600 -46.546 -14.6913 -21.9159 -14.6913 55.7578 60.7597 -21.9159 60.7595 6.16745 GPRESSAVG: 1606600 -47.8785 -13.7295 -22.4975 -15.6942 56.6797 62.5865 -22.1315 59.4318 7.00074 TIMING: 1606600 CPU: 4658.79, 0.00289702/step Wall: 4658.79, 0.00289702/step, 2.73076 hours remaining, 209.843750 MB of memory in use. ENERGY: 1606600 734.2449 2098.7295 1923.4575 116.9998 -206522.1641 17937.5002 0.0000 0.0000 34408.0896 -149303.1426 300.4944 -183711.2322 -149205.7601 298.5921 105.1976 141.9508 556775.6194 5.1264 5.2673 PRESSURE: 1606800 -307.679 118.163 -140.66 118.165 -120.75 123.61 -140.661 123.612 -106.003 GPRESSURE: 1606800 -333.173 126.447 -206.425 103.611 -35.539 182.039 -96.5387 174.817 -74.6559 PRESSAVG: 1606800 -34.9044 35.0636 24.1978 35.0636 45.7602 24.3432 24.198 24.3432 -2.5057 GPRESSAVG: 1606800 -32.732 33.7731 26.7756 35.3993 44.3344 21.9721 22.2772 24.8646 -3.24182 TIMING: 1606800 CPU: 4659.37, 0.00288368/step Wall: 4659.37, 0.00288368/step, 2.71803 hours remaining, 209.843750 MB of memory in use. ENERGY: 1606800 746.7056 2053.0259 1926.6318 105.0299 -206183.5032 17691.6869 0.0000 0.0000 34221.5254 -149438.8978 298.8651 -183660.4232 -149338.8163 299.3078 -178.1440 -147.7891 558109.1552 2.7834 2.7869 PRESSURE: 1607000 -135.106 48.8271 -85.8303 48.828 25.616 -183.05 -85.8311 -183.048 45.1603 GPRESSURE: 1607000 -53.3467 40.5008 -160.753 54.8799 17.2306 -185.442 -52.12 -109.626 66.1627 PRESSAVG: 1607000 -93.7133 -22.5035 -10.0503 -22.5035 39.5288 0.507578 -10.0503 0.507733 47.8245 GPRESSAVG: 1607000 -93.0857 -19.903 -9.75146 -24.4118 39.8933 1.8749 -10.9915 2.38401 47.6517 TIMING: 1607000 CPU: 4659.94, 0.00287654/step Wall: 4659.94, 0.00287654/step, 2.71114 hours remaining, 209.843750 MB of memory in use. ENERGY: 1607000 718.5163 2097.6487 1934.4748 125.4753 -206397.5232 17765.2697 0.0000 0.0000 34230.4252 -149525.7132 298.9428 -183756.1384 -149429.8053 299.4563 -21.4431 10.0155 557031.0683 -2.1200 -1.8469 PRESSURE: 1607200 -8.09748 33.4292 -226.749 33.4296 66.2316 -77.401 -226.748 -77.4021 26.6978 GPRESSURE: 1607200 38.7458 51.2532 -135.571 11.9154 58.957 -35.2947 -169.58 -58.2907 81.4611 PRESSAVG: 1607200 -22.9997 -24.2342 -17.6752 -24.2343 -34.0564 -24.7157 -17.6752 -24.7157 95.7927 GPRESSAVG: 1607200 -23.2623 -26.7235 -17.2544 -21.0769 -33.3495 -23.7906 -18.5156 -26.5001 95.9366 TIMING: 1607200 CPU: 4660.52, 0.00288931/step Wall: 4660.52, 0.00288931/step, 2.72301 hours remaining, 209.843750 MB of memory in use. ENERGY: 1607200 759.6190 2099.0873 1935.1909 107.9177 -206330.5968 17931.7411 0.0000 0.0000 34022.7803 -149474.2604 297.1294 -183497.0407 -149378.9286 298.5310 28.2773 59.7213 557622.1384 12.9122 13.1083 PRESSURE: 1607400 -146.849 140.073 115.762 140.074 98.1505 6.48362 115.763 6.48456 -159.729 GPRESSURE: 1607400 -142.298 138.564 10.2672 203.491 143.979 -86.2977 168.432 60.1216 -124.991 PRESSAVG: 1607400 -42.3465 79.4753 -35.4475 79.4754 -8.69733 31.8606 -35.4475 31.8606 27.4634 GPRESSAVG: 1607400 -42.6184 78.4666 -37.7108 80.5459 -8.71115 31.9011 -31.8308 30.2921 27.6146 TIMING: 1607400 CPU: 4661.1, 0.00288258/step Wall: 4661.1, 0.00288258/step, 2.71651 hours remaining, 209.843750 MB of memory in use. ENERGY: 1607400 733.6161 2064.2437 1924.4851 101.2370 -206387.4048 17792.0712 0.0000 0.0000 34300.7918 -149470.9598 299.5573 -183771.7515 -149369.1732 298.6460 -69.4759 -41.1034 557995.0570 -7.8602 -7.9050 PRESSURE: 1607600 -147.252 -77.3847 -140.383 -77.3842 -151.196 34.8112 -140.382 34.8119 -108.362 GPRESSURE: 1607600 -122.091 -73.6066 -115.641 -110.298 -98.9542 -27.3584 -160.185 122.583 -97.5637 PRESSAVG: 1607600 16.4157 48.5884 13.3876 48.5884 -26.3549 55.7369 13.3876 55.7368 18.5141 GPRESSAVG: 1607600 15.2617 49.6762 15.3576 46.4062 -25.9166 52.9144 11.2642 58.3623 19.3293 TIMING: 1607600 CPU: 4661.68, 0.00289051/step Wall: 4661.68, 0.00289051/step, 2.72382 hours remaining, 209.843750 MB of memory in use. ENERGY: 1607600 733.2203 2113.3332 1936.7010 110.7024 -205964.9035 17581.6629 0.0000 0.0000 34050.0334 -149439.2503 297.3674 -183489.2837 -149343.1819 298.5255 -135.6036 -106.2030 557523.8699 2.8583 2.8914 PRESSURE: 1607800 -254.916 266.877 -81.7028 266.877 -339.841 -66.0418 -81.7021 -66.0416 39.0089 GPRESSURE: 1607800 -222.054 189.193 -142.439 374.063 -287.211 7.25062 24.4869 -121.973 53.9761 PRESSAVG: 1607800 -44.756 48.8416 -46.6977 48.8415 92.4353 3.29389 -46.6977 3.29383 -16.9012 GPRESSAVG: 1607800 -43.6224 48.7641 -47.5568 50.1337 91.5881 3.64135 -45.9622 4.70005 -17.3658 TIMING: 1607800 CPU: 4662.25, 0.0028589/step Wall: 4662.25, 0.0028589/step, 2.69388 hours remaining, 209.843750 MB of memory in use. ENERGY: 1607800 764.3729 2085.8635 1932.3104 106.2694 -205979.1981 17474.1122 0.0000 0.0000 34196.8895 -149419.3800 298.6499 -183616.2696 -149317.3087 298.7311 -185.2495 -151.7630 557706.4309 10.2594 10.1999 PRESSURE: 1608000 -151.214 -16.7905 -39.2158 -16.791 69.7889 -37.3312 -39.2167 -37.3301 206.739 GPRESSURE: 1608000 -125.201 -4.77518 -74.5199 -77.702 106.836 51.7132 2.5028 -17.0742 229.855 PRESSAVG: 1608000 -15.0564 25.519 -12.67 25.519 9.66637 27.2794 -12.67 27.2793 4.29932 GPRESSAVG: 1608000 -16.003 25.4769 -12.3764 24.6021 9.55259 28.3533 -12.3051 27.2879 5.11824 TIMING: 1608000 CPU: 4662.83, 0.00289607/step Wall: 4662.83, 0.00289607/step, 2.72875 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1608000 757.3418 2088.6473 1913.6358 115.3444 -206469.8554 17880.1783 0.0000 0.0000 34269.5003 -149445.2074 299.2841 -183714.7077 -149344.7407 298.8332 41.7711 70.4970 556382.8642 -0.3636 -0.4441 PRESSURE: 1608200 -141.153 -102.683 35.5875 -102.682 359.647 -6.64244 35.5866 -6.64498 -105.403 GPRESSURE: 1608200 -93.194 12.6396 -10.7163 -138.398 369.247 -34.8647 105.352 -0.228968 -71.0652 PRESSAVG: 1608200 -7.82992 -57.187 8.18114 -57.1869 22.011 23.2494 8.18118 23.2495 -7.57285 GPRESSAVG: 1608200 -7.35151 -55.2056 6.62134 -56.703 22.937 22.4423 7.16783 21.8106 -7.75284 TIMING: 1608200 CPU: 4663.41, 0.00289204/step Wall: 4663.41, 0.00289204/step, 2.72479 hours remaining, 209.843750 MB of memory in use. ENERGY: 1608200 715.3792 2110.4089 1935.9905 115.7304 -206543.5533 17825.4336 0.0000 0.0000 34326.6432 -149513.9675 299.7831 -183840.6107 -149409.6373 299.8030 37.6970 68.3294 555213.8230 2.2027 2.6109 LDB: ============= START OF LOAD BALANCING ============== 4666.79 LDB: ============== END OF LOAD BALANCING =============== 4666.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4666.79 LDB: ============= START OF LOAD BALANCING ============== 4667.08 LDB: Largest compute 4792 load 0.022030 is 18.7% of average load 0.118003 LDB: Average compute 0.001732 is 1.5% of average load 0.118003 LDB: TIME 4667.08 LOAD: AVG 0.118003 MAX 0.182179 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.312 MB LDB: TIME 4667.08 LOAD: AVG 0.118003 MAX 0.182179 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.344 MB LDB: TIME 4667.08 LOAD: AVG 0.118003 MAX 0.182179 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4667.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4667.09 PRESSURE: 1608400 -323.998 19.5189 -95.5641 19.5186 -74.4072 -112.003 -95.5665 -112.003 -365.732 GPRESSURE: 1608400 -261.805 -9.67417 -150.8 49.9186 -117.192 -116.521 -110.937 -119.072 -308.076 PRESSAVG: 1608400 8.85209 -2.03268 -2.97606 -2.03263 -30.0386 -13.0234 -2.97618 -13.0233 1.08911 GPRESSAVG: 1608400 9.67976 -4.2853 -1.63825 -0.655581 -30.9697 -11.2733 -2.98738 -12.5225 0.394401 TIMING: 1608400 CPU: 4663.99, 0.00294545/step Wall: 4663.99, 0.00294545/step, 2.77494 hours remaining, 208.472656 MB of memory in use. ENERGY: 1608400 753.7253 2088.9592 1923.6203 112.2405 -205889.7549 17363.3714 0.0000 0.0000 34210.2657 -149437.5726 298.7668 -183647.8383 -149340.6846 299.6545 -254.7124 -229.0245 556599.0931 -6.6991 -6.9652 PRESSURE: 1608600 43.2297 -16.5518 -24.6725 -16.5521 206.549 138.373 -24.6716 138.373 239.946 GPRESSURE: 1608600 53.5682 -37.5212 -52.4175 46.6701 258.67 123.846 9.06539 116.164 277.56 PRESSAVG: 1608600 -3.8248 0.524246 -35.3481 0.524336 -2.60349 -45.8164 -35.3481 -45.8165 -15.1534 GPRESSAVG: 1608600 -4.21676 1.68287 -36.2953 -0.992007 -1.63018 -44.9759 -34.5222 -47.7648 -15.5693 TIMING: 1608600 CPU: 4664.57, 0.0028865/step Wall: 4664.57, 0.0028865/step, 2.71924 hours remaining, 208.675781 MB of memory in use. ENERGY: 1608600 679.0484 2112.4459 1964.8160 115.3588 -206370.4651 17943.4172 0.0000 0.0000 34163.8101 -149391.5686 298.3611 -183555.3787 -149303.0882 298.3919 163.2419 196.5996 555923.5197 -7.1939 -7.1388 PRESSURE: 1608800 -27.7957 121.59 -35.5718 121.591 -127.52 -5.9982 -35.5731 -5.99638 -78.1184 GPRESSURE: 1608800 42.093 85.0136 -162.029 158.431 -122.242 15.0026 56.3053 -57.2708 -57.7637 PRESSAVG: 1608800 38.4507 1.17078 7.13854 1.17093 19.5413 -37.1926 7.13854 -37.1925 -12.7255 GPRESSAVG: 1608800 38.1424 0.289231 7.27655 1.82036 19.4285 -39.4352 6.36767 -35.7657 -12.1357 TIMING: 1608800 CPU: 4665.15, 0.00287299/step Wall: 4665.15, 0.00287299/step, 2.70636 hours remaining, 208.675781 MB of memory in use. ENERGY: 1608800 724.1847 2138.5069 1930.6159 113.0526 -206428.6395 17796.4425 0.0000 0.0000 34378.4548 -149347.3821 300.2356 -183725.8369 -149244.5939 298.7380 -77.8115 -45.9709 558877.3534 15.0888 15.1451 PRESSURE: 1609000 371.944 18.3218 58.9783 18.3226 230.737 -53.8435 58.9774 -53.8439 105.696 GPRESSURE: 1609000 368.179 -4.4909 77.1399 14.7776 293.912 -60.1234 -10.4738 -39.14 130.713 PRESSAVG: 1609000 3.81078 -35.3466 34.3209 -35.3465 11.0609 -55.4491 34.321 -55.449 14.6246 GPRESSAVG: 1609000 5.0733 -35.076 35.0619 -35.8052 10.8745 -53.2126 34.5328 -54.5368 13.3734 TIMING: 1609000 CPU: 4665.72, 0.00288261/step Wall: 4665.72, 0.00288261/step, 2.71526 hours remaining, 208.675781 MB of memory in use. ENERGY: 1609000 778.8884 2074.8614 1930.3164 124.9930 -206464.8814 18106.2659 0.0000 0.0000 34001.8043 -149447.7520 296.9462 -183449.5563 -149348.4408 297.7335 236.1254 264.2681 556085.0202 9.8321 9.7737 PRESSURE: 1609200 12.515 -68.3489 -61.4254 -68.349 -23.5786 7.98599 -61.4253 7.98651 -33.0788 GPRESSURE: 1609200 33.6278 -151.794 24.4667 -61.4393 -19.2344 -31.2026 -83.3768 51.8829 30.5304 PRESSAVG: 1609200 -3.74428 -30.8472 31.7176 -30.8473 62.3193 -45.8958 31.7176 -45.8958 -73.5571 GPRESSAVG: 1609200 -3.81434 -31.8089 32.8546 -30.5122 62.3091 -48.0228 30.7786 -46.9982 -74.1306 TIMING: 1609200 CPU: 4666.31, 0.00291185/step Wall: 4666.31, 0.00291185/step, 2.74264 hours remaining, 208.675781 MB of memory in use. ENERGY: 1609200 727.3149 2122.4204 1950.6537 97.8907 -206352.1065 17695.6430 0.0000 0.0000 34150.7824 -149607.4014 298.2473 -183758.1838 -149507.9424 298.1150 -14.7141 14.9746 556497.2729 -4.9940 -5.2119 PRESSURE: 1609400 -90.3322 40.1119 -44.4273 40.1116 -361.219 -8.12615 -44.4267 -8.12527 -225.856 GPRESSURE: 1609400 -103.942 30.0019 -26.6071 31.4973 -259.06 -35.0241 -26.6863 -5.73242 -203.366 PRESSAVG: 1609400 20.4693 11.8661 -12.8146 11.8661 -38.601 -67.4558 -12.8146 -67.4559 71.5945 GPRESSAVG: 1609400 20.9487 14.3758 -13.7584 10.9281 -38.6864 -66.1297 -11.4158 -66.831 71.101 TIMING: 1609400 CPU: 4666.89, 0.00290593/step Wall: 4666.89, 0.00290593/step, 2.7369 hours remaining, 208.796875 MB of memory in use. ENERGY: 1609400 759.7021 2139.1478 1961.6922 124.7580 -206412.0443 17639.3184 0.0000 0.0000 34102.9857 -149684.4401 297.8299 -183787.4258 -149592.9316 298.8102 -225.8026 -188.7894 556680.5843 17.8209 17.7878 PRESSURE: 1609600 -8.45388 74.4691 -181.159 74.469 -209.96 -91.0909 -181.159 -91.0909 -23.9499 GPRESSURE: 1609600 22.7265 14.4964 -215.321 170.358 -180.752 -60.1485 -118.184 -126.849 5.76984 PRESSAVG: 1609600 28.5549 37.4566 4.66538 37.4565 -0.674872 -54.7999 4.6654 -54.8 16.5664 GPRESSAVG: 1609600 27.9895 34.8318 5.35201 39.3158 0.501844 -54.6984 3.41612 -56.3138 16.2491 TIMING: 1609600 CPU: 4667.46, 0.00288664/step Wall: 4667.46, 0.00288664/step, 2.71857 hours remaining, 208.796875 MB of memory in use. ENERGY: 1609600 736.7685 2133.1585 1939.9489 112.7215 -206483.6612 17777.5862 0.0000 0.0000 34138.3061 -149645.1715 298.1383 -183783.4775 -149551.6624 298.3163 -80.7878 -50.7519 558848.7693 14.8155 14.9135 PRESSURE: 1609800 -22.2949 63.6654 -227.931 63.6645 248.058 236.462 -227.93 236.462 186.382 GPRESSURE: 1609800 40.4089 109.314 -172.807 -0.441452 246.893 184.079 -198.304 221.614 200.682 PRESSAVG: 1609800 -44.5063 69.953 -81.5178 69.9529 35.9438 -46.618 -81.5179 -46.618 -15.0948 GPRESSAVG: 1609800 -44.4285 71.5344 -81.9567 69.1844 35.2701 -45.4291 -79.6729 -45.0755 -14.2003 TIMING: 1609800 CPU: 4668.04, 0.00289589/step Wall: 4668.04, 0.00289589/step, 2.72713 hours remaining, 208.796875 MB of memory in use. ENERGY: 1609800 717.7560 2139.3566 1968.7009 100.2592 -206529.9294 18056.1700 0.0000 0.0000 34155.9262 -149391.7605 298.2922 -183547.6867 -149295.4746 298.2770 137.3816 162.6613 558265.1060 -7.8858 -7.7862 PRESSURE: 1610000 249.38 -149.05 199.169 -149.05 364.727 -28.1125 199.168 -28.1121 123.573 GPRESSURE: 1610000 306.184 -102.93 162.848 -113.089 372.989 -15.0923 262.092 -15.9217 158.813 PRESSAVG: 1610000 6.25635 42.4105 -31.8533 42.4105 54.2493 41.347 -31.8533 41.347 -1.93525 GPRESSAVG: 1610000 5.11959 42.5053 -32.2201 41.1599 55.1699 41.154 -32.7373 39.1995 -1.50274 TIMING: 1610000 CPU: 4668.62, 0.00289465/step Wall: 4668.62, 0.00289465/step, 2.72579 hours remaining, 208.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1610000 768.0265 2088.2024 1950.4560 98.1862 -206613.9766 17965.8723 0.0000 0.0000 34264.3530 -149478.8803 299.2391 -183743.2333 -149383.1693 298.4646 245.8933 279.3285 555746.9516 19.5235 19.5956 PRESSURE: 1610200 -339.588 196.295 122.991 196.295 40.613 79.4865 122.991 79.4873 10.2909 GPRESSURE: 1610200 -244.803 109.643 230.994 180.306 60.9785 80.5645 63.7118 39.9665 0.523487 PRESSAVG: 1610200 60.9192 36.2758 23.9971 36.2759 2.49965 -33.1439 23.9971 -33.1439 -39.3937 GPRESSAVG: 1610200 61.5694 35.2741 23.4366 37.8342 2.80385 -32.8775 22.6266 -33.7721 -39.8482 TIMING: 1610200 CPU: 4669.2, 0.00287481/step Wall: 4669.2, 0.00287481/step, 2.70695 hours remaining, 208.796875 MB of memory in use. ENERGY: 1610200 752.7581 2093.0971 1941.0396 115.0863 -206375.9945 17671.5233 0.0000 0.0000 34210.2233 -149592.2669 298.7664 -183802.4902 -149492.2729 298.7364 -96.2282 -61.1005 556610.8429 8.0084 8.1750 PRESSURE: 1610400 -215.231 65.5584 213.526 65.5601 -123.946 -63.399 213.526 -63.3988 -31.6699 GPRESSURE: 1610400 -154.531 85.9691 134.6 -31.6122 -161.362 -29.6253 230.288 -83.9806 29.4299 PRESSAVG: 1610400 -34.7406 -3.39893 68.3954 -3.39892 11.2152 -6.18615 68.3955 -6.18619 9.38016 GPRESSAVG: 1610400 -33.8956 -2.82519 67.697 -3.3409 10.6205 -7.63646 68.5793 -4.56123 9.30571 TIMING: 1610400 CPU: 4669.77, 0.00286968/step Wall: 4669.77, 0.00286968/step, 2.70196 hours remaining, 208.796875 MB of memory in use. ENERGY: 1610400 745.2932 2068.6889 1931.3021 108.7899 -206107.2093 17602.9168 0.0000 0.0000 34098.2356 -149551.9828 297.7884 -183650.2184 -149452.1343 298.0223 -123.6157 -95.4879 557149.1934 -4.7151 -4.6564 PRESSURE: 1610600 -157.089 62.0252 -64.4074 62.0256 76.7963 -48.475 -64.4073 -48.4764 -203.747 GPRESSURE: 1610600 -91.9739 67.1528 -165.751 74.5813 111.773 -103.918 -8.29203 70.5457 -208.142 PRESSAVG: 1610600 -36.6622 4.41185 41.0345 4.41191 -18.8643 -3.35772 41.0344 -3.35755 12.1236 GPRESSAVG: 1610600 -36.6601 3.93093 40.8142 3.76114 -19.4871 -2.02402 41.9452 -2.04818 13.0936 TIMING: 1610600 CPU: 4670.35, 0.00290033/step Wall: 4670.35, 0.00290033/step, 2.73066 hours remaining, 208.796875 MB of memory in use. ENERGY: 1610600 752.6281 2017.5742 1932.7415 117.7447 -206219.4869 17717.6153 0.0000 0.0000 34292.0287 -149389.1544 299.4808 -183681.1831 -149288.4560 298.1741 -94.6798 -62.7809 558033.9691 -14.4676 -14.3512 PRESSURE: 1610800 51.0206 -23.7954 -16.4693 -23.7959 -170.883 32.2949 -16.4708 32.2926 -33.1685 GPRESSURE: 1610800 25.7973 28.7874 -7.48817 -2.80592 -181.465 86.9357 -13.9216 -17.2295 100.967 PRESSAVG: 1610800 58.8418 1.59843 1.95089 1.59844 -28.2814 -31.5369 1.95095 -31.5369 -24.8367 GPRESSAVG: 1610800 58.912 3.21402 2.92761 1.65733 -27.4527 -33.2286 0.781827 -33.7822 -26.4541 TIMING: 1610800 CPU: 4670.93, 0.00288243/step Wall: 4670.93, 0.00288243/step, 2.71365 hours remaining, 208.996094 MB of memory in use. ENERGY: 1610800 764.4058 2019.5881 1928.1130 102.6938 -206403.1330 17931.0365 0.0000 0.0000 34298.6393 -149358.6564 299.5385 -183657.2958 -149259.4557 299.2297 -51.0102 -18.2335 557815.4063 1.9079 1.6684 PRESSURE: 1611000 50.0374 13.4024 -218.811 13.402 -282.928 212.224 -218.812 212.225 -237.988 GPRESSURE: 1611000 65.1775 20.2854 -162.939 75.6688 -222.114 227.878 -290.878 287.168 -222.29 PRESSAVG: 1611000 39.6415 61.0672 35.5918 61.0671 -28.4369 39.9376 35.5919 39.9375 14.3744 GPRESSAVG: 1611000 39.4995 61.4585 35.9889 59.157 -27.9381 40.4164 34.9767 41.8379 13.6097 TIMING: 1611000 CPU: 4671.51, 0.0029262/step Wall: 4671.51, 0.0029262/step, 2.75469 hours remaining, 208.996094 MB of memory in use. ENERGY: 1611000 768.7209 2108.1460 1951.9493 122.5080 -206147.4353 17816.8615 0.0000 0.0000 34295.0460 -149084.2037 299.5072 -183379.2496 -148984.7670 299.9248 -156.9596 -126.4087 558835.5153 8.5263 8.3904 PRESSURE: 1611200 26.5772 -124.765 -16.8584 -124.767 -214.299 187.845 -16.8578 187.844 -167.39 GPRESSURE: 1611200 74.9222 -104.93 -48.4963 -142.014 -205.29 129 52.5955 170.382 -127.511 PRESSAVG: 1611200 60.1265 60.7355 -12.1729 60.7355 -57.2728 82.6311 -12.1729 82.631 12.7221 GPRESSAVG: 1611200 60.6385 59.9 -14.411 61.3159 -58.1511 82.2697 -9.56224 82.5849 13.663 TIMING: 1611200 CPU: 4672.1, 0.00292172/step Wall: 4672.1, 0.00292172/step, 2.75031 hours remaining, 208.996094 MB of memory in use. ENERGY: 1611200 771.7552 2064.9617 1934.8339 110.4891 -205951.8453 17877.8668 0.0000 0.0000 34255.9261 -148936.0126 299.1655 -183191.9386 -148838.0293 299.6977 -118.3706 -85.9598 558963.5189 5.1919 5.3835 PRESSURE: 1611400 -80.2774 -86.9943 1.90153 -86.9936 -125.03 4.79908 1.90158 4.79753 28.6975 GPRESSURE: 1611400 -47.1106 -169.7 10.1588 22.5257 -77.1743 -22.8519 -1.84367 40.8591 55.6123 PRESSAVG: 1611400 12.3941 -8.56851 -79.2286 -8.56848 -24.2238 -1.11608 -79.2286 -1.1162 28.72 GPRESSAVG: 1611400 12.6735 -7.65029 -78.1728 -8.11956 -25.2099 -1.2546 -80.086 0.391585 28.8893 TIMING: 1611400 CPU: 4672.68, 0.00290716/step Wall: 4672.68, 0.00290716/step, 2.73644 hours remaining, 208.996094 MB of memory in use. ENERGY: 1611400 750.9488 2055.0307 1943.4602 104.8943 -205996.3965 17630.9464 0.0000 0.0000 34564.6551 -148946.4610 301.8617 -183511.1161 -148846.1068 299.7978 -58.8700 -22.8909 557118.4800 5.6301 5.4510 PRESSURE: 1611600 -38.097 -76.6989 9.20247 -76.6983 -61.3423 90.4602 9.20283 90.4599 -207.331 GPRESSURE: 1611600 55.4485 -88.2275 70.087 -85.8388 -92.4815 75.0096 95.6255 150.968 -166.177 PRESSAVG: 1611600 -33.1672 -40.1298 -17.4086 -40.1299 -9.82294 26.9329 -17.4086 26.9329 -5.36133 GPRESSAVG: 1611600 -34.3661 -43.076 -14.6501 -38.4585 -8.46973 27.0948 -18.8868 26.5714 -4.95098 TIMING: 1611600 CPU: 4673.26, 0.00289562/step Wall: 4673.26, 0.00289562/step, 2.72542 hours remaining, 208.996094 MB of memory in use. ENERGY: 1611600 760.8723 2070.9263 1953.4059 114.5626 -205924.5946 17704.5227 0.0000 0.0000 34318.9473 -149001.3575 299.7159 -183320.3049 -148909.2078 300.3260 -102.2569 -67.7366 558066.6374 -16.1171 -15.9289 PRESSURE: 1611800 122.506 -44.6182 -103.725 -44.6172 111.44 22.5241 -103.726 22.5231 -119.348 GPRESSURE: 1611800 142.31 -57.9669 -96.1577 -58.6952 187.829 -14.1666 -117.108 53.2978 -113.829 PRESSAVG: 1611800 -26.4168 -0.710902 -10.2312 -0.710868 43.2792 36.9364 -10.2312 36.9364 -20.6901 GPRESSAVG: 1611800 -26.4717 -0.644976 -12.8041 1.53625 44.2523 37.3827 -9.83901 36.9583 -21.3851 TIMING: 1611800 CPU: 4673.84, 0.00289444/step Wall: 4673.84, 0.00289444/step, 2.72415 hours remaining, 208.996094 MB of memory in use. ENERGY: 1611800 767.8349 2115.9194 1938.1051 119.1129 -206403.2610 17975.4089 0.0000 0.0000 34459.9697 -149026.9101 300.9475 -183486.8798 -148945.0504 299.3896 38.1992 72.1030 558168.5645 -1.2759 -1.2015 PRESSURE: 1612000 -85.854 85.7099 109.544 85.71 -83.1882 5.83648 109.545 5.83652 -29.0158 GPRESSURE: 1612000 -39.8652 101.395 35.0799 109.347 -75.2283 11.2801 151.509 3.49382 9.18419 PRESSAVG: 1612000 24.8682 13.6331 -18.1393 13.6332 -58.9561 46.8024 -18.1393 46.8023 19.0834 GPRESSAVG: 1612000 24.3405 13.8587 -18.5233 12.0927 -59.4991 45.7309 -16.8296 47.6825 20.1809 TIMING: 1612000 CPU: 4674.42, 0.00291784/step Wall: 4674.42, 0.00291784/step, 2.74601 hours remaining, 208.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1612000 724.4358 2112.5141 1934.8502 109.2436 -205656.0523 17501.5767 0.0000 0.0000 34127.6715 -149145.7603 298.0454 -183273.4318 -149056.3207 299.5068 -66.0193 -35.3031 558887.5748 -5.0015 -4.9926 PRESSURE: 1612200 -190.445 141.256 -96.0586 141.256 -215.559 -23.0034 -96.0585 -23.0042 -235.816 GPRESSURE: 1612200 -146.268 150.522 -166.045 161.444 -212.716 -69.5926 -76.745 -57.854 -174.823 PRESSAVG: 1612200 -35.458 5.36586 -23.3514 5.36585 -14.6839 17.2507 -23.3515 17.2507 9.06855 GPRESSAVG: 1612200 -35.513 6.28539 -22.404 3.87223 -14.4222 18.968 -25.5025 14.7881 9.30777 TIMING: 1612200 CPU: 4675, 0.00289956/step Wall: 4675, 0.00289956/step, 2.72864 hours remaining, 208.996094 MB of memory in use. ENERGY: 1612200 761.3617 2041.9416 1930.5744 120.3937 -206213.2513 17715.7068 0.0000 0.0000 34574.1581 -149069.1149 301.9447 -183643.2730 -148966.8136 299.7517 -213.9403 -177.9358 557273.0736 -13.6911 -13.5425 LDB: ============= START OF LOAD BALANCING ============== 4678.39 LDB: ============== END OF LOAD BALANCING =============== 4678.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4678.39 LDB: ============= START OF LOAD BALANCING ============== 4678.68 LDB: Largest compute 4792 load 0.021492 is 18.2% of average load 0.117980 LDB: Average compute 0.001716 is 1.5% of average load 0.117980 LDB: TIME 4678.68 LOAD: AVG 0.11798 MAX 0.184264 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.215 MB LDB: TIME 4678.68 LOAD: AVG 0.11798 MAX 0.184264 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.418 MB LDB: TIME 4678.68 LOAD: AVG 0.11798 MAX 0.184264 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.418 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4678.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4678.68 PRESSURE: 1612400 20.5542 -51.5184 -82.3732 -51.5206 130.655 37.7458 -82.3725 37.7468 -11.1526 GPRESSURE: 1612400 54.7824 -138.58 -128.833 28.1736 135.895 50.8678 -135.381 15.8393 39.4099 PRESSAVG: 1612400 47.8198 33.9197 -46.0443 33.9197 -40.8457 12.644 -46.0443 12.6439 -13.5952 GPRESSAVG: 1612400 48.5463 35.0412 -45.083 35.0536 -41.7695 12.6759 -45.0509 12.4505 -13.3854 TIMING: 1612400 CPU: 4675.59, 0.00294879/step Wall: 4675.59, 0.00294879/step, 2.77481 hours remaining, 210.414062 MB of memory in use. ENERGY: 1612400 795.9199 2090.8366 1921.7249 107.2340 -206402.6728 17991.8548 0.0000 0.0000 34418.4490 -149076.6537 300.5849 -183495.1027 -148985.9593 299.9766 46.6855 76.6957 556066.4779 -2.2070 -2.2029 PRESSURE: 1612600 69.4051 -58.8918 -33.3838 -58.891 -129.236 -29.6471 -33.3846 -29.6472 104.376 GPRESSURE: 1612600 142.375 -92.5659 -96.0081 -89.6047 -107.633 89.8288 -7.92334 -123.661 110.493 PRESSAVG: 1612600 18.5288 15.0029 -61.2635 15.003 -10.998 -22.8908 -61.2635 -22.8908 11.4653 GPRESSAVG: 1612600 18.4848 14.2704 -61.1481 12.7557 -10.8439 -24.1069 -63.1612 -21.3916 11.7461 TIMING: 1612600 CPU: 4676.16, 0.00286497/step Wall: 4676.16, 0.00286497/step, 2.69577 hours remaining, 210.414062 MB of memory in use. ENERGY: 1612600 775.4125 2109.7798 1923.7657 100.0562 -206349.4157 17871.3055 0.0000 0.0000 34504.1423 -149064.9537 301.3333 -183569.0960 -148965.6170 299.9783 14.8482 48.4116 556409.2130 6.3320 6.4624 PRESSURE: 1612800 -177.81 1.62363 83.4697 1.6246 -251.972 23.3289 83.4692 23.328 -102.757 GPRESSURE: 1612800 -168.92 -96.6861 93.4961 102.135 -232.976 -2.09961 41.9362 -32.9595 -32.5862 PRESSAVG: 1612800 -20.5704 -27.6013 -41.0699 -27.6013 -32.484 -3.39965 -41.0699 -3.39974 13.8014 GPRESSAVG: 1612800 -20.8601 -27.996 -41.8205 -25.0949 -32.4419 -4.15987 -39.734 -2.80009 14.6611 TIMING: 1612800 CPU: 4676.74, 0.00286426/step Wall: 4676.74, 0.00286426/step, 2.69495 hours remaining, 210.414062 MB of memory in use. ENERGY: 1612800 753.1450 2106.5306 1930.2752 105.7234 -205967.3081 17545.4345 0.0000 0.0000 34462.3233 -149063.8761 300.9680 -183526.1994 -148956.4405 299.6111 -177.5129 -144.8272 556020.8260 -13.0843 -12.8803 PRESSURE: 1613000 -256.445 128.477 -67.7649 128.476 116.055 -53.2095 -67.7652 -53.2092 -49.4379 GPRESSURE: 1613000 -184.884 167.84 -5.94128 121.226 161.643 1.62453 -58.7324 -48.866 -67.4822 PRESSAVG: 1613000 0.891043 -23.1316 -20.9085 -23.1317 26.9466 -49.5339 -20.9085 -49.5339 4.27058 GPRESSAVG: 1613000 0.376226 -23.3954 -19.1114 -25.3596 28.7232 -47.146 -20.0295 -49.2561 3.13871 TIMING: 1613000 CPU: 4677.31, 0.00289187/step Wall: 4677.31, 0.00289187/step, 2.72077 hours remaining, 210.414062 MB of memory in use. ENERGY: 1613000 793.5852 2108.6796 1941.0572 110.0816 -206333.1589 17796.8363 0.0000 0.0000 34529.6286 -149053.2904 301.5558 -183582.9191 -148955.1067 301.2130 -63.2759 -30.2413 556544.9978 10.7027 10.7460 PRESSURE: 1613200 -221.136 -51.6397 95.8025 -51.6381 -220.223 -204.735 95.8022 -204.735 -149.306 GPRESSURE: 1613200 -173.219 -110.852 216.277 13.7378 -201.566 -169.329 24.4779 -203.129 -122.297 PRESSAVG: 1613200 5.56313 -33.3257 0.882304 -33.3258 21.662 -19.3426 0.882251 -19.3425 -45.2974 GPRESSAVG: 1613200 6.63811 -33.188 0.719217 -32.4771 20.285 -19.6191 0.157426 -19.232 -45.3074 TIMING: 1613200 CPU: 4677.89, 0.0029033/step Wall: 4677.89, 0.0029033/step, 2.73136 hours remaining, 210.414062 MB of memory in use. ENERGY: 1613200 743.7815 2126.4043 1914.3093 120.6175 -205773.7322 17465.9931 0.0000 0.0000 34291.6512 -149110.9752 299.4775 -183402.6264 -149011.5149 300.1438 -196.8885 -165.6939 559382.2718 -6.0241 -6.1281 PRESSURE: 1613400 -20.7175 28.9809 47.7463 28.9825 -19.4016 -184.828 47.7463 -184.828 186.638 GPRESSURE: 1613400 22.0194 -79.335 103.212 110.452 -10.0348 -247.451 124.247 -155.848 243.044 PRESSAVG: 1613400 -47.5996 -35.7229 -38.897 -35.7229 -28.046 -6.74902 -38.897 -6.74914 58.0027 GPRESSAVG: 1613400 -47.1991 -35.4895 -39.374 -33.5857 -28.3316 -7.63941 -36.8915 -6.06501 57.9696 TIMING: 1613400 CPU: 4678.47, 0.00289196/step Wall: 4678.47, 0.00289196/step, 2.72053 hours remaining, 210.414062 MB of memory in use. ENERGY: 1613400 752.3135 2126.7318 1927.1506 115.1051 -206165.9212 17873.6008 0.0000 0.0000 34349.3303 -149021.6892 299.9812 -183371.0194 -148915.4519 300.0344 48.8398 85.0095 557262.0882 -5.8809 -5.8537 PRESSURE: 1613600 -40.4666 -122.172 -111.107 -122.171 122.486 -117.675 -111.108 -117.676 -317.512 GPRESSURE: 1613600 -71.2678 -156.513 -110.655 -82.7873 160.112 -161.147 -110.018 -90.461 -233.939 PRESSAVG: 1613600 43.0692 -23.7187 -22.6429 -23.7187 -0.341198 -3.27574 -22.6429 -3.27571 -46.5469 GPRESSAVG: 1613600 42.0815 -23.3345 -22.9568 -24.8876 1.67676 -4.74106 -23.6402 -1.83092 -47.4306 TIMING: 1613600 CPU: 4679.05, 0.00287601/step Wall: 4679.05, 0.00287601/step, 2.70536 hours remaining, 210.414062 MB of memory in use. ENERGY: 1613600 800.4174 2127.0401 1928.9873 101.4492 -206048.7258 17801.9871 0.0000 0.0000 34216.6088 -149072.2358 298.8222 -183288.8446 -148974.2382 299.5152 -78.4976 -48.3652 558728.9693 -1.2729 -1.2241 PRESSURE: 1613800 -26.6321 -40.1499 8.13245 -40.1499 363.877 60.7493 8.13281 60.7488 99.4862 GPRESSURE: 1613800 22.9954 -16.2369 56.0034 -100.661 321.686 71.4959 3.01821 35.3699 200.759 PRESSAVG: 1613800 22.4137 -5.84531 -7.71525 -5.84526 -33.7805 7.32119 -7.71525 7.32106 10.629 GPRESSAVG: 1613800 21.7508 -7.86673 -8.91788 -4.66583 -34.8851 10.1822 -10.28 4.16988 12.6566 TIMING: 1613800 CPU: 4679.63, 0.0028913/step Wall: 4679.63, 0.0028913/step, 2.71959 hours remaining, 210.414062 MB of memory in use. ENERGY: 1613800 778.7172 2122.6092 1902.0730 107.4745 -206773.9234 18296.2833 0.0000 0.0000 34526.6613 -149040.1049 301.5299 -183566.7662 -148942.7878 300.1239 145.5769 181.8135 557938.0819 -0.2459 -0.1592 PRESSURE: 1614000 134.684 114.36 27.8864 114.361 233.203 -66.7819 27.8864 -66.7827 -70.6218 GPRESSURE: 1614000 117.592 109.012 -26.9336 92.6389 304.199 -48.3853 21.1437 -49.1425 -13.4723 PRESSAVG: 1614000 38.2948 -39.7807 -2.58488 -39.7807 -15.5814 -8.44723 -2.58486 -8.44728 14.0578 GPRESSAVG: 1614000 38.6519 -38.9538 -0.811645 -41.8244 -16.2753 -9.60303 -0.325265 -7.51072 14.6752 TIMING: 1614000 CPU: 4680.2, 0.00288825/step Wall: 4680.2, 0.00288825/step, 2.71656 hours remaining, 210.414062 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: 1614000 753.7412 2093.9224 1941.2723 114.2733 -205861.4002 17783.2809 0.0000 0.0000 34189.9024 -148985.0078 298.5889 -183174.9102 -148883.1103 299.4141 99.0884 136.1062 558937.1625 12.2571 12.3506 PRESSURE: 1614200 -75.5929 77.7868 -12.6584 77.786 64.1107 -18.1537 -12.6588 -18.154 -0.96866 GPRESSURE: 1614200 -38.2131 127.692 -11.2485 96.7181 54.6601 56.6507 -30.0424 -36.8309 61.5526 PRESSAVG: 1614200 27.9778 -16.0036 51.7569 -16.0036 32.7931 -56.8169 51.757 -56.8169 -44.3736 GPRESSAVG: 1614200 28.1752 -16.2503 51.3096 -14.6099 35.1571 -55.728 51.9908 -58.5037 -46.9077 TIMING: 1614200 CPU: 4680.78, 0.00289328/step Wall: 4680.78, 0.00289328/step, 2.72113 hours remaining, 210.414062 MB of memory in use. ENERGY: 1614200 780.8907 2118.9214 1941.3522 111.9543 -206312.2730 18000.5639 0.0000 0.0000 34296.0630 -149062.5275 299.5160 -183358.5905 -148965.9422 299.0684 -4.1503 25.9998 558301.2136 5.4658 5.4749 PRESSURE: 1614400 171.856 -27.3364 -45.9679 -27.3359 -57.166 -141.562 -45.9689 -141.563 148.135 GPRESSURE: 1614400 233.345 48.2287 26.7995 -30.19 -16.2809 -117.472 -92.8823 -155.838 158.257 PRESSAVG: 1614400 48.7755 35.5036 11.5081 35.5036 -19.6626 111.612 11.508 111.612 -51.3251 GPRESSAVG: 1614400 49.7385 35.1769 12.5018 36.1473 -21.2862 109.778 8.92074 112.644 -50.5074 TIMING: 1614400 CPU: 4681.36, 0.00288814/step Wall: 4681.36, 0.00288814/step, 2.71614 hours remaining, 210.414062 MB of memory in use. ENERGY: 1614400 747.0276 2093.8891 1952.6082 115.4388 -206255.3688 17928.4419 0.0000 0.0000 34500.3952 -148917.5680 301.3005 -183417.9632 -148822.2608 300.0790 87.6082 125.1068 557082.6985 -7.4041 -7.3517 PRESSURE: 1614600 45.1496 0.69951 53.6177 0.70049 150.272 -159.568 53.6185 -159.568 249.305 GPRESSURE: 1614600 51.3104 -23.8979 90.37 68.1239 174.987 -93.023 37.9906 -179.973 317.64 PRESSAVG: 1614600 6.87304 57.3886 -28.0867 57.3887 -16.6629 41.6594 -28.0868 41.6595 33.1462 GPRESSAVG: 1614600 6.913 57.0971 -28.3633 57.0161 -16.5994 42.0278 -26.0764 41.855 32.4118 TIMING: 1614600 CPU: 4681.94, 0.00289241/step Wall: 4681.94, 0.00289241/step, 2.71999 hours remaining, 210.414062 MB of memory in use. ENERGY: 1614600 748.0752 2126.4483 1949.9314 105.3486 -206468.9707 18168.1134 0.0000 0.0000 34339.5577 -149031.4962 299.8959 -183371.0539 -148933.1950 300.3960 148.2421 181.3125 556119.1941 7.7854 7.5751 PRESSURE: 1614800 -240.99 -83.3135 68.4314 -83.3132 -268.174 57.7179 68.4305 57.7179 -185.124 GPRESSURE: 1614800 -251.205 -114.735 82.0158 -1.43779 -153.795 -62.1963 -30.5402 90.3839 -186.379 PRESSAVG: 1614800 58.9899 1.78214 51.2217 1.78225 -48.6647 7.39337 51.2217 7.39351 48.1256 GPRESSAVG: 1614800 59.0577 2.13033 50.0735 1.53683 -48.6434 8.37666 52.9875 8.63348 47.8782 TIMING: 1614800 CPU: 4682.52, 0.00289042/step Wall: 4682.52, 0.00289042/step, 2.71796 hours remaining, 210.414062 MB of memory in use. ENERGY: 1614800 750.1073 2126.7144 1940.9644 133.8338 -206112.8780 17489.4781 0.0000 0.0000 34509.1952 -149162.5849 301.3774 -183671.7801 -149056.9778 300.5124 -231.4294 -197.1261 558566.3336 19.4836 19.4308 PRESSURE: 1615000 136.888 30.7898 -1.27975 30.7918 -23.5628 28.8277 -1.27934 28.8282 84.8325 GPRESSURE: 1615000 217.043 -4.40535 10.7744 -30.414 -54.5797 41.7213 -18.156 -60.5347 127.163 PRESSAVG: 1615000 18.7938 4.53699 -65.7163 4.53701 -65.0681 36.7804 -65.7163 36.7804 44.0693 GPRESSAVG: 1615000 17.8927 5.17646 -63.3881 5.36336 -66.0696 34.8527 -67.8516 35.0448 45.758 TIMING: 1615000 CPU: 4683.09, 0.00285714/step Wall: 4683.09, 0.00285714/step, 2.6865 hours remaining, 210.414062 MB of memory in use. ENERGY: 1615000 719.2952 2129.9137 1946.6508 116.8821 -206506.2253 17936.6287 0.0000 0.0000 34487.8818 -149168.9732 301.1912 -183656.8550 -149075.1753 300.0102 66.0527 96.5420 557325.1539 -0.7350 -0.8063 PRESSURE: 1615200 -62.9936 177.243 31.7492 177.244 -428.024 107.881 31.7489 107.88 36.6674 GPRESSURE: 1615200 -46.0239 170.257 3.09518 110.7 -344.196 179.849 15.7046 52.2426 38.4171 PRESSAVG: 1615200 -25.7202 -5.52558 12.2418 -5.52562 -22.9365 -6.32102 12.2419 -6.32113 71.1751 GPRESSAVG: 1615200 -24.5292 -4.37584 11.5317 -7.96834 -22.2621 -5.99868 12.5521 -7.56439 69.3827 TIMING: 1615200 CPU: 4683.66, 0.00287665/step Wall: 4683.66, 0.00287665/step, 2.70469 hours remaining, 210.414062 MB of memory in use. ENERGY: 1615200 741.4795 2078.5740 1950.9929 111.7186 -205612.5899 17477.8334 0.0000 0.0000 34108.4087 -149143.5827 297.8772 -183251.9914 -149046.3539 300.2728 -151.4502 -117.2675 558399.2360 7.5061 7.5305 PRESSURE: 1615400 -194.678 136.136 72.3507 136.137 123.496 -30.7323 72.3505 -30.7318 -27.6283 GPRESSURE: 1615400 -123.263 57.3956 -14.3921 183.219 166.67 17.3559 120.14 -101.187 -47.4321 PRESSAVG: 1615400 -48.3528 -17.2885 40.8477 -17.2884 45.2443 -50.388 40.8476 -50.3879 32.3257 GPRESSAVG: 1615400 -49.2805 -19.0534 39.0066 -14.9127 45.5208 -51.0699 42.8178 -48.6623 32.7547 TIMING: 1615400 CPU: 4684.24, 0.00289397/step Wall: 4684.24, 0.00289397/step, 2.72082 hours remaining, 210.414062 MB of memory in use. ENERGY: 1615400 751.3886 2061.2045 1953.0206 116.3529 -206294.7495 17933.2681 0.0000 0.0000 34329.6177 -149149.8972 299.8091 -183479.5149 -149059.1356 299.5142 -32.9367 -1.3417 558702.8805 9.7391 9.6650 PRESSURE: 1615600 263.014 64.8145 -96.1758 64.8157 367.887 -138.633 -96.1779 -138.631 71.9138 GPRESSURE: 1615600 254.941 -12.0551 -69.9635 25.1533 409.767 -38.8666 -160.167 -176.714 129.376 PRESSAVG: 1615600 -47.7413 13.7919 62.9886 13.7919 63.6382 3.89958 62.9886 3.89951 -21.542 GPRESSAVG: 1615600 -47.9104 13.4445 64.2096 13.8012 62.7588 5.0234 60.0514 0.741463 -20.5822 TIMING: 1615600 CPU: 4684.82, 0.00288439/step Wall: 4684.82, 0.00288439/step, 2.71165 hours remaining, 210.468750 MB of memory in use. ENERGY: 1615600 744.4143 2099.5342 1949.1642 126.4874 -206893.5830 18277.1334 0.0000 0.0000 34370.9249 -149325.9245 300.1698 -183696.8494 -149226.8729 299.3583 234.2717 264.6947 556845.7839 -1.8817 -1.9113 PRESSURE: 1615800 293.986 179.608 -68.0045 179.61 303.984 127.55 -68.0051 127.55 -4.26262 GPRESSURE: 1615800 349.142 175.442 -50.168 156.899 348.423 89.3476 -65.8762 126.508 -11.8581 PRESSAVG: 1615800 -1.85066 27.4994 -23.3371 27.4995 34.2342 -8.59705 -23.3371 -8.59715 1.78161 GPRESSAVG: 1615800 -1.21698 27.5901 -24.9471 28.2586 34.1631 -7.53874 -20.0383 -6.07672 1.17163 TIMING: 1615800 CPU: 4685.39, 0.00286688/step Wall: 4685.39, 0.00286688/step, 2.69502 hours remaining, 210.539062 MB of memory in use. ENERGY: 1615800 752.1149 2090.2332 1941.4555 114.6113 -206624.8770 18255.0010 0.0000 0.0000 34198.4012 -149273.0598 298.6631 -183471.4610 -149179.5684 299.3410 197.9024 228.5688 558404.7932 11.3884 11.3726 PRESSURE: 1616000 277.875 122.603 99.0733 122.602 -12.9939 -110.446 99.0732 -110.447 122.06 GPRESSURE: 1616000 258.825 40.2681 16.0838 130.459 28.3564 -70.3184 -2.54885 -28.2825 183.791 PRESSAVG: 1616000 49.1009 24.0963 9.93531 24.0962 -23.3006 11.6285 9.93541 11.6286 -21.273 GPRESSAVG: 1616000 47.8662 23.6546 11.5474 22.8869 -22.837 10.341 9.04318 12.674 -20.5425 TIMING: 1616000 CPU: 4685.97, 0.00289668/step Wall: 4685.97, 0.00289668/step, 2.72288 hours remaining, 210.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1616000 756.8898 2040.6342 1946.1103 111.9341 -206810.2472 18200.0132 0.0000 0.0000 34482.2661 -149272.3994 301.1422 -183754.6655 -149174.7112 298.7163 128.9802 156.9909 557696.4647 1.5091 1.4955 PRESSURE: 1616200 13.2555 -5.93166 86.1706 -5.93142 -234.342 -97.7655 86.1714 -97.766 -193.734 GPRESSURE: 1616200 21.2702 3.53924 114.705 -90.8369 -161.261 -19.7462 37.605 -123.859 -175.221 PRESSAVG: 1616200 54.7141 -4.00025 -30.2008 -4.00016 -12.44 16.4953 -30.2007 16.4953 -56.1432 GPRESSAVG: 1616200 55.6815 -1.75091 -29.6437 -4.96127 -12.9278 15.7875 -30.5243 16.6541 -57.3208 TIMING: 1616200 CPU: 4686.55, 0.00291156/step Wall: 4686.55, 0.00291156/step, 2.7367 hours remaining, 210.539062 MB of memory in use. ENERGY: 1616200 752.3571 2095.8863 1912.9192 120.5180 -205951.1052 17569.3930 0.0000 0.0000 34127.0712 -149372.9604 298.0402 -183500.0315 -149276.1248 298.8534 -138.2735 -105.0706 557888.7690 -4.6230 -4.8557 LDB: ============= START OF LOAD BALANCING ============== 4689.94 LDB: ============== END OF LOAD BALANCING =============== 4689.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4689.94 LDB: ============= START OF LOAD BALANCING ============== 4690.23 LDB: Largest compute 4822 load 0.022758 is 19.3% of average load 0.117922 LDB: Average compute 0.001719 is 1.5% of average load 0.117922 LDB: TIME 4690.23 LOAD: AVG 0.117922 MAX 0.18066 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.93 MB LDB: TIME 4690.23 LOAD: AVG 0.117922 MAX 0.18066 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.133 MB LDB: TIME 4690.23 LOAD: AVG 0.117922 MAX 0.18066 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.133 MB LDB: ============== END OF LOAD BALANCING =============== 4690.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4690.24 PRESSURE: 1616400 -26.9866 -86.2162 74.5793 -86.2167 89.8592 16.0131 74.5786 16.013 -211.573 GPRESSURE: 1616400 -13.7678 -201.789 45.7706 -55.4896 94.8076 65.0253 142.649 -10.1439 -128.843 PRESSAVG: 1616400 -9.60109 -1.98004 -63.9727 -1.97995 -34.2653 26.1828 -63.9728 26.1828 8.84399 GPRESSAVG: 1616400 -10.6973 -4.12121 -64.2205 -1.93166 -33.8232 28.4194 -65.926 25.415 9.4369 TIMING: 1616400 CPU: 4687.14, 0.00295177/step Wall: 4687.14, 0.00295177/step, 2.77433 hours remaining, 209.640625 MB of memory in use. ENERGY: 1616400 740.3004 2067.7431 1895.6963 113.4700 -205758.0611 17541.2431 0.0000 0.0000 34207.7035 -149191.9046 298.7444 -183399.6082 -149083.9070 298.2396 -49.5668 -15.9344 558339.7352 -11.6741 -11.6946 PRESSURE: 1616600 43.7385 -75.7008 24.089 -75.7001 176.246 86.8454 24.0892 86.8442 -24.0243 GPRESSURE: 1616600 73.843 -127.434 -88.5507 -26.8537 240.815 95.8113 38.396 41.9244 -18.7819 PRESSAVG: 1616600 -37.1704 0.0346851 10.6088 0.0347253 54.6818 15.3525 10.6088 15.3525 7.46001 GPRESSAVG: 1616600 -36.1135 -0.186345 9.58406 3.35283 54.1052 14.9041 11.0088 15.4635 7.05782 TIMING: 1616600 CPU: 4687.72, 0.00285801/step Wall: 4687.72, 0.00285801/step, 2.68605 hours remaining, 209.710938 MB of memory in use. ENERGY: 1616600 716.2088 2108.1508 1940.3470 118.6130 -205952.1416 17914.6138 0.0000 0.0000 34221.2022 -148933.0060 298.8623 -183154.2082 -148842.2488 299.4222 65.3200 98.6253 558028.4607 8.3238 8.3499 PRESSURE: 1616800 119.862 101.185 -198.336 101.186 31.5116 41.4992 -198.336 41.4972 -158.752 GPRESSURE: 1616800 182.68 65.82 -104.577 140.767 0.603643 28.6583 -224.462 46.8845 -107.202 PRESSAVG: 1616800 -21.2856 -52.7061 -43.7524 -52.7061 -26.7153 7.50631 -43.7524 7.5062 5.48569 GPRESSAVG: 1616800 -20.4666 -51.7695 -43.4662 -54.0264 -26.5362 6.14155 -42.9742 6.84258 4.19131 TIMING: 1616800 CPU: 4688.29, 0.00286259/step Wall: 4688.29, 0.00286259/step, 2.6902 hours remaining, 209.710938 MB of memory in use. ENERGY: 1616800 726.5896 2092.5205 1943.8419 122.2022 -206158.9987 18066.5690 0.0000 0.0000 34303.4455 -148903.8299 299.5805 -183207.2754 -148805.2085 299.1265 -2.4595 25.3604 558605.7466 -14.1717 -14.2705 PRESSURE: 1617000 -357.12 33.66 110.698 33.659 -202.916 162.245 110.697 162.245 -167.772 GPRESSURE: 1617000 -293.139 -19.6305 80.5583 36.1854 -173.564 145.703 103.4 157.418 -156.803 PRESSAVG: 1617000 -33.9132 41.2465 4.88108 41.2465 13.2571 4.2551 4.88119 4.25502 51.4039 GPRESSAVG: 1617000 -34.8843 39.7769 4.34435 41.9727 12.3779 5.44583 4.77308 4.94393 53.4031 TIMING: 1617000 CPU: 4688.86, 0.00286238/step Wall: 4688.86, 0.00286238/step, 2.68984 hours remaining, 209.914062 MB of memory in use. ENERGY: 1617000 766.4052 2126.9448 1958.5800 105.9406 -205602.1547 17423.7612 0.0000 0.0000 34216.0404 -149004.4825 298.8172 -183220.5229 -148909.2524 299.7210 -242.6025 -207.8356 558383.5212 10.2493 10.2989 PRESSURE: 1617200 147.933 -118.668 6.76982 -118.667 -46.0983 -33.2957 6.76811 -33.2927 -245.99 GPRESSURE: 1617200 158.876 -104.545 -25.0064 -118.613 -32.714 50.0919 71.6968 -51.134 -174.692 PRESSAVG: 1617200 -36.0193 -5.73133 -4.84654 -5.73126 -6.35251 0.401575 -4.84656 0.401654 23.9885 GPRESSAVG: 1617200 -36.3117 -4.54993 -5.19228 -6.0122 -5.7388 1.5569 -4.86753 0.823499 23.6924 TIMING: 1617200 CPU: 4689.44, 0.00287137/step Wall: 4689.44, 0.00287137/step, 2.69813 hours remaining, 209.914062 MB of memory in use. ENERGY: 1617200 763.5837 2138.4335 1939.7380 106.1695 -206038.6917 17791.3536 0.0000 0.0000 34276.7138 -149022.6996 299.3471 -183299.4134 -148933.8822 299.7898 -48.0518 -16.1767 558052.0807 -6.1278 -6.1194 PRESSURE: 1617400 -92.988 -106.121 -77.7504 -106.122 87.9776 -133.343 -77.7511 -133.343 104.068 GPRESSURE: 1617400 -97.5847 -176.588 -17.2259 -103.395 163.15 -40.9136 -135.808 -151.688 127.474 PRESSAVG: 1617400 -26.2848 2.04118 1.72158 2.04112 41.7398 -26.5856 1.72155 -26.5855 5.15265 GPRESSAVG: 1617400 -26.2628 2.59945 1.80849 1.28715 42.7781 -27.743 2.13768 -25.683 4.59247 TIMING: 1617400 CPU: 4690.01, 0.00288123/step Wall: 4690.01, 0.00288123/step, 2.70724 hours remaining, 209.914062 MB of memory in use. ENERGY: 1617400 746.1864 2135.5393 1956.2506 115.5988 -206092.7241 17715.3332 0.0000 0.0000 34427.8957 -148995.9202 300.6674 -183423.8159 -148895.6778 299.6909 33.0190 64.3466 557799.0827 6.8692 7.0359 PRESSURE: 1617600 149.928 126.663 -32.8106 126.663 107.385 16.0016 -32.8104 16.0011 116.372 GPRESSURE: 1617600 149.235 60.3226 51.9662 200.13 161.281 31.0418 -96.3197 39.6028 156.234 PRESSAVG: 1617600 37.1165 -37.0846 63.6334 -37.0845 -47.5492 52.2055 63.6334 52.2055 45.9457 GPRESSAVG: 1617600 37.1968 -36.8541 64.3742 -37.8173 -46.8946 51.6295 64.7057 50.3311 45.7564 TIMING: 1617600 CPU: 4690.59, 0.00291034/step Wall: 4690.59, 0.00291034/step, 2.73443 hours remaining, 209.914062 MB of memory in use. ENERGY: 1617600 738.0759 2042.2948 1976.3677 111.4434 -206322.4920 17963.0747 0.0000 0.0000 34255.5253 -149235.7102 299.1620 -183491.2356 -149143.4113 299.4035 124.5617 155.5833 557536.7751 11.8377 12.0195 PRESSURE: 1617800 -245.911 -131.506 5.05303 -131.506 -440.171 49.7896 5.05216 49.7907 -481.672 GPRESSURE: 1617800 -237.712 -38.1453 27.628 -107.958 -366.973 -72.8232 -31.8518 219.185 -471.59 PRESSAVG: 1617800 -83.5863 -35.9768 -2.99904 -35.9767 13.7947 9.10783 -2.99904 9.10781 89.1297 GPRESSAVG: 1617800 -83.2059 -37.9275 -3.36513 -36.0064 13.9081 10.0379 -5.25396 10.1086 89.1537 TIMING: 1617800 CPU: 4691.17, 0.00288572/step Wall: 4691.17, 0.00288572/step, 2.71113 hours remaining, 209.914062 MB of memory in use. ENERGY: 1617800 753.3130 2057.2649 1952.2613 127.4430 -205766.0242 17375.9380 0.0000 0.0000 34323.3129 -149176.4910 299.7540 -183499.8039 -149083.8157 300.0912 -389.2510 -358.7587 559547.8829 6.4460 6.6186 PRESSURE: 1618000 -533.209 119.715 72.3825 119.715 144.841 -90.2175 72.3833 -90.2185 -176.568 GPRESSURE: 1618000 -496.804 130.618 103.465 25.1913 156.187 -39.4018 177.566 -215.515 -124.515 PRESSAVG: 1618000 -54.994 -10.8417 43.0543 -10.8418 62.9796 -46.9069 43.0544 -46.9067 37.8189 GPRESSAVG: 1618000 -54.5322 -9.43214 44.4355 -11.2647 62.3876 -48.166 44.6875 -47.3949 38.2566 TIMING: 1618000 CPU: 4691.75, 0.00287977/step Wall: 4691.75, 0.00287977/step, 2.70539 hours remaining, 209.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1618000 758.8712 2053.2292 1929.5443 113.6762 -205591.2172 17530.0959 0.0000 0.0000 33944.9621 -149260.8383 296.4498 -183205.8004 -149167.2423 299.4461 -188.3122 -155.0439 559256.0248 15.2681 15.3707 PRESSURE: 1618200 -48.1592 -80.0412 -21.7396 -80.0419 -172.602 -92.1436 -21.7389 -92.1434 -142.302 GPRESSURE: 1618200 -7.09675 -72.502 -59.7276 -53.9751 -166.741 -79.1397 -6.81946 -104.269 -89.4074 PRESSAVG: 1618200 -78.7889 -53.31 49.6202 -53.3099 62.198 -27.7389 49.6202 -27.7391 70.9473 GPRESSAVG: 1618200 -77.7988 -53.0373 46.7793 -55.4054 61.4764 -26.2864 48.9989 -29.8472 70.6597 TIMING: 1618200 CPU: 4692.33, 0.00290274/step Wall: 4692.33, 0.00290274/step, 2.7268 hours remaining, 209.914062 MB of memory in use. ENERGY: 1618200 743.1651 2048.4093 1939.9776 114.2692 -206145.9356 17648.7231 0.0000 0.0000 34245.8006 -149405.5907 299.0771 -183651.3913 -149301.3702 299.1434 -121.0209 -87.7482 558192.4641 18.1188 18.1125 PRESSURE: 1618400 96.6845 -53.2563 8.2577 -53.2557 27.5338 -39.5691 8.25873 -39.5694 -67.4741 GPRESSURE: 1618400 102.523 -15.2343 -57.1262 -48.238 77.423 -10.5005 45.3056 -17.1242 -26.598 PRESSAVG: 1618400 42.5312 -14.6853 -5.10318 -14.6854 -29.6723 5.53267 -5.10319 5.5327 23.5509 GPRESSAVG: 1618400 40.6476 -13.7442 -5.04747 -12.3202 -27.5215 4.26433 -4.93099 6.87169 23.4072 TIMING: 1618400 CPU: 4692.91, 0.00290102/step Wall: 4692.91, 0.00290102/step, 2.72503 hours remaining, 209.914062 MB of memory in use. ENERGY: 1618400 690.8219 2081.8878 1950.4231 104.7663 -206226.4832 17755.2683 0.0000 0.0000 34185.4432 -149457.8727 298.5500 -183643.3159 -149356.0422 298.7406 18.9147 51.1161 555241.4065 12.1366 12.1778 PRESSURE: 1618600 -179.873 -49.8772 -177.266 -49.877 -47.3054 -108.482 -177.266 -108.483 -27.3125 GPRESSURE: 1618600 -179.701 -52.0059 -180.241 -14.3154 14.709 -145.665 -130.62 -135.553 15.301 PRESSAVG: 1618600 -10.792 -28.3873 -2.28235 -28.3873 -3.87446 8.27338 -2.28229 8.27331 42.3987 GPRESSAVG: 1618600 -9.49415 -30.6108 -1.09436 -26.9223 -4.72273 8.05551 -1.12943 7.5322 41.4093 TIMING: 1618600 CPU: 4693.49, 0.00290235/step Wall: 4693.49, 0.00290235/step, 2.72612 hours remaining, 209.914062 MB of memory in use. ENERGY: 1618600 727.5287 2095.9000 1925.3456 115.9951 -206016.1649 17463.7649 0.0000 0.0000 34156.6105 -149531.0201 298.2982 -183687.6306 -149429.8596 298.4167 -84.8303 -49.8971 556675.9815 9.2441 9.0641 PRESSURE: 1618800 -103.845 -25.4327 61.1283 -25.4321 34.7914 95.5692 61.1273 95.567 -171.902 GPRESSURE: 1618800 -57.6215 92.0614 52.7191 -51.5768 17.1988 80.6686 90.6299 59.8196 -98.8181 PRESSAVG: 1618800 12.2855 -12.0494 3.83702 -12.0493 -1.0356 -86.8823 3.83705 -86.8822 18.8006 GPRESSAVG: 1618800 11.7614 -11.9116 5.86869 -12.9806 -0.434699 -87.3972 2.1992 -84.5238 18.8992 TIMING: 1618800 CPU: 4694.07, 0.00290609/step Wall: 4694.07, 0.00290609/step, 2.72947 hours remaining, 209.914062 MB of memory in use. ENERGY: 1618800 739.3981 2103.9707 1942.8196 104.6878 -206128.3112 17720.1512 0.0000 0.0000 34036.9781 -149480.3058 297.2534 -183517.2839 -149382.7444 298.2557 -80.3185 -46.4136 556933.8717 10.0168 10.0753 PRESSURE: 1619000 23.9306 -137.611 -36.6586 -137.61 -129.327 -63.0439 -36.6592 -63.0435 58.8793 GPRESSURE: 1619000 35.9827 -141.77 15.2363 -164.589 -131.275 -38.5762 -33.5251 -97.7824 155.57 PRESSAVG: 1619000 -3.57525 35.007 21.6858 35.0071 -26.9786 -45.9479 21.6859 -45.9479 -22.9711 GPRESSAVG: 1619000 -2.78033 34.53 21.8574 35.6358 -29.3369 -43.5677 22.7885 -48.7827 -21.5712 TIMING: 1619000 CPU: 4694.65, 0.00289988/step Wall: 4694.65, 0.00289988/step, 2.72347 hours remaining, 209.914062 MB of memory in use. ENERGY: 1619000 745.1774 2044.2198 1924.3900 108.6170 -205941.1790 17716.5809 0.0000 0.0000 34049.4367 -149352.7571 297.3622 -183402.1938 -149266.1587 297.9419 -15.5055 20.0925 557314.9662 -17.8416 -17.8961 PRESSURE: 1619200 -345.625 30.8756 114.301 30.8772 -216.32 -32.9214 114.301 -32.9221 -96.3951 GPRESSURE: 1619200 -299.843 96.1115 125.666 0.0263331 -136.943 -74.5814 107.57 -106.749 -127.124 PRESSAVG: 1619200 -41.1883 16.6521 9.8869 16.6521 -54.1495 -0.206517 9.88696 -0.20664 109.177 GPRESSAVG: 1619200 -42.994 18.7021 8.09646 14.4572 -52.28 -1.88467 9.74448 0.712074 109.376 TIMING: 1619200 CPU: 4695.23, 0.0028972/step Wall: 4695.23, 0.0028972/step, 2.72079 hours remaining, 209.914062 MB of memory in use. ENERGY: 1619200 721.3903 2072.0243 1944.7873 112.8822 -205971.6680 17583.1418 0.0000 0.0000 34168.5825 -149368.8596 298.4027 -183537.4421 -149268.0852 298.1170 -219.4467 -187.9701 558380.7888 4.6131 4.7007 PRESSURE: 1619400 149.216 213.69 120.015 213.69 -23.8609 112.293 120.014 112.294 66.0448 GPRESSURE: 1619400 170.528 139.894 81.2128 183.963 -16.182 100.97 77.0778 135.54 122.178 PRESSAVG: 1619400 -31.9132 51.9474 33.0094 51.9474 -42.2283 -25.6202 33.0093 -25.6203 42.1402 GPRESSAVG: 1619400 -31.0143 50.0255 32.864 54.2051 -42.7524 -24.2459 32.6343 -24.9828 41.5986 TIMING: 1619400 CPU: 4695.81, 0.00292246/step Wall: 4695.81, 0.00292246/step, 2.74435 hours remaining, 209.914062 MB of memory in use. ENERGY: 1619400 752.3125 2125.9039 1951.0279 109.7044 -206474.1313 17848.7201 0.0000 0.0000 34210.5987 -149475.8639 298.7697 -183686.4626 -149389.1494 298.4299 63.7999 92.1744 557417.7112 -10.6671 -10.7227 PRESSURE: 1619600 -280.093 -79.5318 20.7718 -79.5309 116.894 -58.2628 20.7728 -58.2627 -50.1127 GPRESSURE: 1619600 -218.914 -49.1867 3.94163 -45.1188 151.795 -6.41301 103.156 -30.5159 -41.2229 PRESSAVG: 1619600 -0.111215 15.5429 39.7377 15.5429 -54.6213 -40.3914 39.7375 -40.3915 1.18008 GPRESSAVG: 1619600 -1.25644 18.3134 40.3747 13.048 -54.5112 -42.5604 38.7766 -40.767 2.38892 TIMING: 1619600 CPU: 4696.39, 0.00288601/step Wall: 4696.39, 0.00288601/step, 2.70996 hours remaining, 209.914062 MB of memory in use. ENERGY: 1619600 736.3699 2089.2832 1962.5731 104.2684 -206242.7093 17877.6933 0.0000 0.0000 34148.6930 -149323.8285 298.2290 -183472.5215 -149233.5853 298.2121 -71.1040 -36.1140 558381.1896 -17.8508 -17.7929 PRESSURE: 1619800 -58.135 -0.864593 48.0453 -0.864783 -337.189 -62.1777 48.0447 -62.1787 -91.1733 GPRESSURE: 1619800 -71.6547 -49.3637 44.7911 1.05105 -278.415 -18.4883 -16.7062 -152.699 -44.2021 PRESSAVG: 1619800 -25.1041 -23.9296 18.0049 -23.9295 -11.3275 -30.3035 18.005 -30.3034 52.0779 GPRESSAVG: 1619800 -24.5369 -24.6853 17.0157 -22.3608 -11.2996 -27.6879 18.715 -30.4665 51.2925 TIMING: 1619800 CPU: 4696.97, 0.00290087/step Wall: 4696.97, 0.00290087/step, 2.72376 hours remaining, 209.914062 MB of memory in use. ENERGY: 1619800 781.7003 2120.5981 1958.1514 122.0206 -206282.2648 17814.9051 0.0000 0.0000 34151.8215 -149333.0678 298.2564 -183484.8893 -149240.7918 298.4821 -162.1658 -131.4240 558100.2268 5.2154 5.1520 PRESSURE: 1620000 -65.5975 -45.563 37.686 -45.5625 -118.049 -55.9707 37.6872 -55.9714 56.3925 GPRESSURE: 1620000 -18.3199 -42.4679 -5.87786 -47.7863 -75.5657 -79.1046 51.2074 1.73557 64.7852 PRESSAVG: 1620000 -54.5638 4.82948 7.51452 4.82952 -34.0446 -12.2076 7.51457 -12.2075 56.211 GPRESSAVG: 1620000 -54.9638 2.60368 9.93433 6.02683 -34.0319 -16.248 8.75442 -10.0978 56.1063 TIMING: 1620000 CPU: 4697.55, 0.00287821/step Wall: 4697.55, 0.00287821/step, 2.70232 hours remaining, 209.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1620000 703.4194 2091.8842 1930.9717 110.9813 -206100.0271 17727.6452 0.0000 0.0000 34241.1586 -149293.9667 299.0366 -183535.1253 -149200.5209 298.5044 -42.4181 -9.7001 557813.7348 -10.7991 -10.9631 PRESSURE: 1620200 -226.758 39.8045 -172.282 39.8054 146.373 115.824 -172.281 115.824 -371.193 GPRESSURE: 1620200 -136.908 41.5053 -143.715 93.0556 159.5 69.9965 -90.91 178.25 -380.872 PRESSAVG: 1620200 85.0734 -49.0602 6.95651 -49.0603 -48.8616 34.4025 6.9566 34.4025 -27.7349 GPRESSAVG: 1620200 85.7923 -47.7344 6.33001 -51.0363 -49.2009 35.4529 6.70764 33.4195 -28.3153 TIMING: 1620200 CPU: 4698.12, 0.00288166/step Wall: 4698.12, 0.00288166/step, 2.7054 hours remaining, 209.914062 MB of memory in use. ENERGY: 1620200 760.4020 2130.4014 1931.6629 120.1255 -206156.7203 17635.2587 0.0000 0.0000 34333.1228 -149245.7470 299.8397 -183578.8698 -149146.8083 298.8531 -150.5257 -119.4264 557457.3539 2.8257 2.7587 LDB: ============= START OF LOAD BALANCING ============== 4701.51 LDB: ============== END OF LOAD BALANCING =============== 4701.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4701.51 LDB: ============= START OF LOAD BALANCING ============== 4701.79 LDB: Largest compute 4820 load 0.021996 is 18.6% of average load 0.118012 LDB: Average compute 0.001721 is 1.5% of average load 0.118012 LDB: TIME 4701.8 LOAD: AVG 0.118012 MAX 0.179563 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.805 MB LDB: TIME 4701.8 LOAD: AVG 0.118012 MAX 0.179563 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.805 MB LDB: TIME 4701.8 LOAD: AVG 0.118012 MAX 0.179563 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.805 MB LDB: ============== END OF LOAD BALANCING =============== 4701.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4701.8 PRESSURE: 1620400 -105.001 -68.044 65.8416 -68.0431 -51.3305 -47.4428 65.8415 -47.4428 -218.041 GPRESSURE: 1620400 -68.0794 -69.0074 60.5561 36.521 -1.36527 -0.548171 64.746 -51.4366 -202.477 PRESSAVG: 1620400 -0.126862 22.8702 55.5949 22.8702 27.7651 -1.06708 55.5949 -1.06715 -66.4527 GPRESSAVG: 1620400 -0.349112 23.5024 55.4325 23.9813 28.1892 -1.14139 53.6239 -0.775337 -66.3435 TIMING: 1620400 CPU: 4698.71, 0.00292689/step Wall: 4698.71, 0.00292689/step, 2.7477 hours remaining, 209.183594 MB of memory in use. ENERGY: 1620400 742.8312 2143.8177 1955.8641 108.5435 -205957.3421 17615.4524 0.0000 0.0000 34111.8870 -149278.9461 297.9076 -183390.8331 -149181.8576 299.2872 -124.7908 -90.6407 558110.0264 -12.9382 -12.8345 PRESSURE: 1620600 505.461 32.1137 -68.9691 32.1128 8.36985 -80.5052 -68.969 -80.5057 -48.8709 GPRESSURE: 1620600 486.96 134.079 -40.1124 1.95818 37.2163 -88.2306 -124.934 -95.9046 40.7812 PRESSAVG: 1620600 77.8834 -12.4421 -26.9591 -12.4421 -18.6603 -0.739097 -26.959 -0.739104 19.1502 GPRESSAVG: 1620600 77.2038 -12.4133 -27.8043 -13.2186 -17.6564 -0.222477 -25.8351 -0.0773286 18.7543 TIMING: 1620600 CPU: 4699.28, 0.00288628/step Wall: 4699.28, 0.00288628/step, 2.70942 hours remaining, 209.441406 MB of memory in use. ENERGY: 1620600 742.1500 2098.2349 1929.7989 121.4408 -206493.9346 18258.0918 0.0000 0.0000 34173.7821 -149170.4361 298.4481 -183344.2182 -149075.0907 299.4334 154.9866 188.3193 558310.0178 26.1244 26.1006 PRESSURE: 1620800 79.8881 -68.171 3.92594 -68.1715 -7.80257 -9.95422 3.92397 -9.95532 98.1488 GPRESSURE: 1620800 110.356 6.34521 -33.8963 -54.5628 65.8308 -13.5512 -12.3866 19.3905 92.4728 PRESSAVG: 1620800 9.87263 0.899126 -23.5251 0.899016 -22.4035 41.1999 -23.5252 41.2 5.48953 GPRESSAVG: 1620800 10.3559 -1.60768 -23.6232 2.30297 -22.0277 43.8493 -23.5711 39.9405 5.26029 TIMING: 1620800 CPU: 4699.86, 0.00288285/step Wall: 4699.86, 0.00288285/step, 2.70604 hours remaining, 209.441406 MB of memory in use. ENERGY: 1620800 736.3447 2090.3338 1963.8171 107.7761 -206238.7600 17966.3715 0.0000 0.0000 34198.9878 -149175.1290 298.6683 -183374.1168 -149072.5069 299.1355 56.7448 89.5532 558126.5757 -2.3471 -2.1372 PRESSURE: 1621000 -195.617 113.741 22.9538 113.741 202.414 -30.843 22.9535 -30.8413 -35.4596 GPRESSURE: 1621000 -179.086 112.053 57.5164 135.954 231.783 -124.699 -53.1333 -76.665 17.3888 PRESSAVG: 1621000 -33.3783 -4.49513 14.8006 -4.49508 -4.13872 -41.9777 14.8006 -41.9778 53.0482 GPRESSAVG: 1621000 -34.7076 -2.87906 14.6606 -4.74552 -5.02173 -44.7475 15.4529 -41.9012 54.9362 TIMING: 1621000 CPU: 4700.44, 0.00290316/step Wall: 4700.44, 0.00290316/step, 2.72494 hours remaining, 209.441406 MB of memory in use. ENERGY: 1621000 707.4729 2083.5332 1925.3428 118.9658 -206284.2050 17841.7917 0.0000 0.0000 34361.3032 -149245.7954 300.0858 -183607.0986 -149149.9318 299.2689 -9.5541 23.3619 557408.2823 5.1771 5.0690 PRESSURE: 1621200 -72.455 69.0899 -122.937 69.09 -69.4683 -121.013 -122.937 -121.014 -56.0513 GPRESSURE: 1621200 -50.7841 58.5312 -58.506 114.691 18.6653 -113.227 -116.011 -77.5703 -69.1801 PRESSAVG: 1621200 -25.8754 6.77078 29.2993 6.77082 -19.2117 32.3766 29.2994 32.3766 77.8154 GPRESSAVG: 1621200 -25.4535 6.60728 30.7272 6.77529 -19.0704 33.662 27.8873 33.8125 77.672 TIMING: 1621200 CPU: 4701.02, 0.00287944/step Wall: 4701.02, 0.00287944/step, 2.70251 hours remaining, 209.441406 MB of memory in use. ENERGY: 1621200 763.0817 2049.8118 1916.3957 118.2663 -206197.7234 17725.3483 0.0000 0.0000 34379.0659 -149245.7538 300.2409 -183624.8197 -149142.2931 299.1722 -65.9915 -33.7663 556633.0867 10.9094 11.0494 PRESSURE: 1621400 -95.3428 -201.162 49.6543 -201.162 -308.145 -20.5606 49.6554 -20.5588 -241.147 GPRESSURE: 1621400 -47.7204 -111.433 180.242 -236.359 -302.619 34.6856 -67.6783 -99.3536 -204.719 PRESSAVG: 1621400 -27.3563 -20.0514 1.53157 -20.0514 44.3016 45.8726 1.53156 45.8726 -6.89749 GPRESSAVG: 1621400 -27.1298 -19.2916 -1.11658 -20.8577 43.3731 45.8767 2.7607 45.7449 -6.70942 TIMING: 1621400 CPU: 4701.6, 0.00288774/step Wall: 4701.6, 0.00288774/step, 2.71014 hours remaining, 209.738281 MB of memory in use. ENERGY: 1621400 767.0651 2079.3209 1954.0249 107.7860 -205867.3961 17628.1729 0.0000 0.0000 34130.2883 -149200.7381 298.0683 -183331.0263 -149102.3557 299.2448 -214.8785 -185.0193 558947.8864 3.3493 3.1780 PRESSURE: 1621600 227.684 -122.066 16.5084 -122.066 -188.684 59.8389 16.508 59.8389 15.0694 GPRESSURE: 1621600 270.513 -78.3945 -31.6676 -140.495 -138.21 6.17887 7.27226 53.5298 7.47923 PRESSAVG: 1621600 13.413 -6.58723 36.0972 -6.58714 -16.3889 1.73429 36.0974 1.73438 20.4127 GPRESSAVG: 1621600 13.8942 -6.2407 37.1406 -7.60974 -15.9149 1.44775 36.7258 1.409 18.7258 TIMING: 1621600 CPU: 4702.18, 0.00289731/step Wall: 4702.18, 0.00289731/step, 2.71897 hours remaining, 209.738281 MB of memory in use. ENERGY: 1621600 721.9514 2074.2534 1913.5674 114.9492 -206100.0609 17795.1857 0.0000 0.0000 34370.2387 -149109.9152 300.1638 -183480.1539 -149016.4011 299.2402 18.0234 46.5940 557454.1879 5.8123 5.5684 PRESSURE: 1621800 -212.273 -118.246 -93.4215 -118.246 -251.162 -109.684 -93.4216 -109.684 -154.19 GPRESSURE: 1621800 -163.712 -170.171 -130.772 -57.2725 -241.883 -27.139 -94.3273 -162.995 -105.596 PRESSAVG: 1621800 6.83341 -38.159 69.7015 -38.1589 -42.5539 -26.6907 69.7014 -26.6907 36.2656 GPRESSAVG: 1621800 6.54714 -39.5643 69.146 -37.1747 -43.3269 -27.5686 68.2129 -27.4347 37.3695 TIMING: 1621800 CPU: 4702.76, 0.00290194/step Wall: 4702.76, 0.00290194/step, 2.72315 hours remaining, 209.738281 MB of memory in use. ENERGY: 1621800 761.4279 2076.3371 1932.2241 119.4709 -206229.2334 17679.7087 0.0000 0.0000 34599.3948 -149060.6698 302.1651 -183660.0646 -148966.2609 299.9019 -205.8749 -170.3969 558773.6096 0.1817 0.1966 PRESSURE: 1622000 -25.7949 64.1071 -60.5739 64.1083 -163.759 -46.0492 -60.5736 -46.0493 -127.881 GPRESSURE: 1622000 47.7339 81.9445 -77.9339 5.10797 -150.919 -37.2059 37.6397 -24.3625 -123.061 PRESSAVG: 1622000 6.5189 -8.45632 -15.2661 -8.45631 -24.7793 18.871 -15.2661 18.8711 76.0559 GPRESSAVG: 1622000 6.83845 -7.10239 -13.7164 -7.99364 -24.7016 18.753 -12.7489 18.9961 75.7494 TIMING: 1622000 CPU: 4703.34, 0.00292424/step Wall: 4703.34, 0.00292424/step, 2.74391 hours remaining, 209.738281 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: 1622000 735.6528 2040.9096 1947.1937 119.8942 -206089.2666 17792.0883 0.0000 0.0000 34355.7708 -149097.7571 300.0375 -183453.5279 -149011.3010 299.6904 -105.8116 -75.4155 555791.8687 19.2652 19.2954 PRESSURE: 1622200 118.519 11.9637 53.4176 11.9641 64.9288 -84.3271 53.4158 -84.3263 44.5301 GPRESSURE: 1622200 195.734 27.8677 -17.4009 61.495 29.8861 -76.3572 104.843 -73.4397 99.4103 PRESSAVG: 1622200 -81.0103 -13.7114 36.5309 -13.7114 -6.24788 -89.5905 36.5309 -89.5904 107.693 GPRESSAVG: 1622200 -81.1915 -15.7968 35.3955 -13.704 -5.87776 -87.6474 37.5948 -89.5502 107.89 TIMING: 1622200 CPU: 4703.93, 0.00294111/step Wall: 4703.93, 0.00294111/step, 2.75958 hours remaining, 209.738281 MB of memory in use. ENERGY: 1622200 727.4148 2123.0122 1934.2425 119.0897 -206204.3375 17963.7143 0.0000 0.0000 34433.1637 -148903.7003 300.7134 -183336.8640 -148812.1338 300.6936 75.9927 108.3436 557699.4544 6.8115 6.9401 PRESSURE: 1622400 213.632 -18.9241 10.5996 -18.9237 94.7718 131.466 10.5996 131.466 149.691 GPRESSURE: 1622400 200.62 -53.2843 -86.4623 56.078 108.72 140.167 87.1263 149.065 242.095 PRESSAVG: 1622400 8.33828 -53.3916 -42.8577 -53.3916 -15.0332 8.86545 -42.8576 8.86544 16.7016 GPRESSAVG: 1622400 7.40417 -52.467 -41.7812 -52.7723 -14.1972 8.10894 -46.3098 9.35817 16.5492 TIMING: 1622400 CPU: 4704.51, 0.00292558/step Wall: 4704.51, 0.00292558/step, 2.74484 hours remaining, 209.746094 MB of memory in use. ENERGY: 1622400 719.0647 2037.6898 1937.4764 112.5239 -205702.0866 17878.9332 0.0000 0.0000 34264.4375 -148751.9610 299.2399 -183016.3986 -148659.7936 300.3717 152.6981 183.8119 557618.4283 3.3356 3.2521 PRESSURE: 1622600 9.67689 85.7887 17.2299 85.7888 311.459 72.7958 17.2298 72.7946 55.1005 GPRESSURE: 1622600 9.16152 95.4265 66.8588 50.4671 349.755 6.29164 4.59575 42.8396 119.499 PRESSAVG: 1622600 -19.1106 -13.4733 -40.2895 -13.4733 42.3652 25.4819 -40.2895 25.4818 19.4365 GPRESSAVG: 1622600 -18.9639 -13.8956 -40.6678 -12.3174 41.8282 22.726 -39.6381 25.7574 20.3129 TIMING: 1622600 CPU: 4705.1, 0.00292232/step Wall: 4705.1, 0.00292232/step, 2.74163 hours remaining, 209.746094 MB of memory in use. ENERGY: 1622600 713.2357 2104.1325 1941.5629 108.6003 -205612.6431 17816.6552 0.0000 0.0000 34249.2973 -148679.1592 299.1076 -182928.4566 -148581.7539 300.3529 125.4122 159.4716 559083.5187 14.2303 14.3924 PRESSURE: 1622800 -86.5688 -130.264 181.113 -130.266 192.155 -94.4382 181.112 -94.4396 -138.566 GPRESSURE: 1622800 -100.799 -22.0499 167.56 -115.142 264.839 -124.307 170.926 -121.136 -107.773 PRESSAVG: 1622800 -59.7554 -58.9459 69.5434 -58.9459 26.6562 -48.4484 69.5434 -48.4483 19.9426 GPRESSAVG: 1622800 -59.795 -58.6239 69.6316 -60.8535 27.311 -44.5005 69.8536 -49.0297 18.9497 TIMING: 1622800 CPU: 4705.67, 0.00287789/step Wall: 4705.67, 0.00287789/step, 2.69978 hours remaining, 209.746094 MB of memory in use. ENERGY: 1622800 721.5456 2082.7688 1946.4662 106.9785 -205508.1082 17649.5226 0.0000 0.0000 34399.1298 -148601.6966 300.4162 -183000.8265 -148497.1717 300.7773 -10.9931 18.7559 559026.1364 -4.3856 -4.5114 PRESSURE: 1623000 -45.8721 64.5367 28.8145 64.5371 38.7167 -37.8222 28.8138 -37.8217 -48.4687 GPRESSURE: 1623000 -39.8206 59.3608 -4.19492 1.24783 36.4253 -43.7732 10.6036 37.8349 35.2107 PRESSAVG: 1623000 -50.2975 -9.5273 38.5933 -9.52718 -5.03347 34.8709 38.5932 34.8708 3.0837 GPRESSAVG: 1623000 -50.5284 -7.42289 37.9444 -11.838 -5.01845 33.4586 36.1854 34.1677 3.31458 TIMING: 1623000 CPU: 4706.25, 0.00289268/step Wall: 4706.25, 0.00289268/step, 2.71349 hours remaining, 209.746094 MB of memory in use. ENERGY: 1623000 770.3416 2094.9309 1949.6530 110.9019 -205511.1975 17607.1019 0.0000 0.0000 34309.6600 -148668.6082 299.6348 -182978.2682 -148575.9175 301.0050 -18.5414 10.6051 557367.9036 -17.4157 -17.4107 PRESSURE: 1623200 38.963 -167.987 -14.9311 -167.988 -243.506 -147.868 -14.9301 -147.867 -201.022 GPRESSURE: 1623200 61.1593 -122.939 10.7126 -192.647 -135.453 -123.325 -31.3464 -156.519 -228 PRESSAVG: 1623200 18.7869 -12.7558 4.47002 -12.7558 36.8429 39.7792 4.46995 39.7793 1.90529 GPRESSAVG: 1623200 18.3209 -14.1614 4.19699 -10.8127 37.0095 38.1854 5.07149 39.4841 2.36418 TIMING: 1623200 CPU: 4706.83, 0.0028883/step Wall: 4706.83, 0.0028883/step, 2.70922 hours remaining, 209.746094 MB of memory in use. ENERGY: 1623200 767.9707 2136.2304 1933.1678 117.5183 -205712.2107 17582.7887 0.0000 0.0000 34584.9519 -148589.5829 302.0390 -183174.5348 -148497.2810 301.2270 -135.1884 -100.7644 557312.7383 19.1784 19.2315 PRESSURE: 1623400 -241.616 49.1254 24.1324 49.1243 -16.9782 83.1327 24.1324 83.1345 113.671 GPRESSURE: 1623400 -193.209 22.5072 -25.3645 127.488 -27.6809 93.5535 -75.7094 39.4494 173.256 PRESSAVG: 1623400 46.1788 7.60029 37.7091 7.60028 30.144 13.1954 37.7091 13.1954 -76.6927 GPRESSAVG: 1623400 47.5137 5.009 37.9256 8.55337 29.7036 14.4707 38.6042 16.2701 -77.0791 TIMING: 1623400 CPU: 4707.41, 0.00288511/step Wall: 4707.41, 0.00288511/step, 2.70607 hours remaining, 209.746094 MB of memory in use. ENERGY: 1623400 753.7545 2027.1764 1948.4072 122.2220 -205619.5906 17644.9541 0.0000 0.0000 34420.5800 -148702.4963 300.6035 -183123.0763 -148601.9838 300.8472 -48.3075 -15.8781 558298.9035 -0.1233 0.0461 PRESSURE: 1623600 -204.273 -19.0002 110.372 -18.9985 -108.809 -6.14504 110.372 -6.14557 -14.9824 GPRESSURE: 1623600 -178.879 -49.685 75.9367 2.63694 -65.1459 52.0866 146.294 -38.2954 15.1784 PRESSAVG: 1623600 16.3705 -13.13 -2.37417 -13.1298 23.908 9.94482 -2.37424 9.9449 -66.9465 GPRESSAVG: 1623600 15.5542 -12.2141 -1.54988 -14.5452 24.4105 9.88257 -3.65645 5.94998 -66.2968 TIMING: 1623600 CPU: 4707.99, 0.00291625/step Wall: 4707.99, 0.00291625/step, 2.73512 hours remaining, 209.746094 MB of memory in use. ENERGY: 1623600 694.0664 2149.3896 1928.4722 112.5535 -205702.8657 17620.1243 0.0000 0.0000 34300.6251 -148897.6346 299.5559 -183198.2597 -148807.3950 300.0958 -109.3547 -76.2822 558961.6561 -8.8893 -8.7774 PRESSURE: 1623800 -43.5834 -69.405 -84.6486 -69.4055 -286.091 56.0016 -84.6487 56.0017 81.0435 GPRESSURE: 1623800 22.3372 -143.729 -31.8611 11.4421 -256.757 14.7625 -44.4737 85.1476 82.1399 PRESSAVG: 1623800 2.79179 -27.7984 19.4751 -27.7984 7.71559 52.1958 19.4752 52.1959 4.10547 GPRESSAVG: 1623800 3.92715 -28.1019 17.9163 -25.9559 7.96652 51.0062 20.4584 54.0748 2.74694 TIMING: 1623800 CPU: 4708.57, 0.00291617/step Wall: 4708.57, 0.00291617/step, 2.73488 hours remaining, 209.746094 MB of memory in use. ENERGY: 1623800 732.6438 2057.2107 1941.7635 120.6801 -205980.2375 17839.6937 0.0000 0.0000 34421.8516 -148866.3942 300.6146 -183288.2458 -148770.0929 300.3808 -82.8769 -50.7600 557373.3937 4.8709 4.8802 PRESSURE: 1624000 128.624 -38.802 -24.8199 -38.8014 -210.074 -99.9847 -24.8203 -99.9849 45.1144 GPRESSURE: 1624000 117.25 -15.7446 31.475 2.2693 -100.709 -57.0949 -45.7657 -117.739 49.8404 PRESSAVG: 1624000 30.9924 3.99666 17.748 3.99667 -53.2726 31.7096 17.748 31.7096 57.6552 GPRESSAVG: 1624000 28.7711 4.05112 17.9779 1.96515 -52.5561 33.0617 16.5474 31.2431 58.8618 TIMING: 1624000 CPU: 4709.15, 0.00289995/step Wall: 4709.15, 0.00289995/step, 2.71951 hours remaining, 209.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1624000 710.1176 2087.5355 1934.3199 118.3222 -205803.5268 17722.5250 0.0000 0.0000 34236.2079 -148994.4988 298.9933 -183230.7067 -148894.9894 299.9936 -12.1116 22.1271 557994.5517 11.7917 11.6923 PRESSURE: 1624200 -173.781 155.784 -62.9771 155.784 278.179 47.024 -62.9776 47.0232 -45.4669 GPRESSURE: 1624200 -95.8763 116.079 -12.9606 192.113 219.693 88.5706 -124.625 -0.393065 16.4769 PRESSAVG: 1624200 -6.81922 61.9147 17.206 61.9147 -1.7323 4.67041 17.206 4.67039 47.1794 GPRESSAVG: 1624200 -5.6442 62.4326 17.895 60.7197 -3.27194 6.10196 17.8954 6.46792 47.6644 TIMING: 1624200 CPU: 4709.73, 0.00289002/step Wall: 4709.73, 0.00289002/step, 2.71004 hours remaining, 209.746094 MB of memory in use. ENERGY: 1624200 766.6825 2103.4107 1951.1110 119.9696 -206252.4116 17975.8288 0.0000 0.0000 34236.5614 -149098.8476 298.9964 -183335.4090 -149008.4974 299.4229 19.6438 46.7645 557742.7391 12.8760 12.9161 LDB: ============= START OF LOAD BALANCING ============== 4713.12 LDB: ============== END OF LOAD BALANCING =============== 4713.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4713.12 LDB: ============= START OF LOAD BALANCING ============== 4713.41 LDB: Largest compute 4801 load 0.022331 is 18.9% of average load 0.117991 LDB: Average compute 0.001717 is 1.5% of average load 0.117991 LDB: TIME 4713.41 LOAD: AVG 0.117991 MAX 0.182358 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.617 MB LDB: TIME 4713.41 LOAD: AVG 0.117991 MAX 0.182358 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.617 MB LDB: TIME 4713.41 LOAD: AVG 0.117991 MAX 0.182358 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.617 MB LDB: ============== END OF LOAD BALANCING =============== 4713.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4713.42 PRESSURE: 1624400 -109.242 138.735 30.756 138.734 -19.715 -28.9909 30.7568 -28.9901 174.494 GPRESSURE: 1624400 -80.6011 81.5098 24.141 229.298 -5.90023 -6.00234 87.655 -49.9773 242.87 PRESSAVG: 1624400 -48.9945 22.4533 41.4441 22.4532 -20.8029 -23.5617 41.4441 -23.5616 61.4093 GPRESSAVG: 1624400 -48.1306 23.291 41.2222 23.278 -20.0972 -25.7481 41.9423 -25.263 60.0244 TIMING: 1624400 CPU: 4710.32, 0.0029408/step Wall: 4710.32, 0.0029408/step, 2.75749 hours remaining, 209.000000 MB of memory in use. ENERGY: 1624400 756.1079 2036.7814 1916.3217 107.9631 -206324.0956 18036.9276 0.0000 0.0000 34387.0292 -149082.9647 300.3105 -183469.9939 -148986.1632 299.7649 15.1791 52.1229 557452.7621 -2.7960 -2.7345 PRESSURE: 1624600 127.21 53.2273 -64.8685 53.2283 374.692 -18.8337 -64.8678 -18.8327 -1.38827 GPRESSURE: 1624600 179.063 69.594 -7.71268 10.9732 385.562 10.8769 -91.1054 21.575 29.4835 PRESSAVG: 1624600 34.7089 37.5736 39.3496 37.5737 48.588 -20.9607 39.3496 -20.9607 -32.8429 GPRESSAVG: 1624600 34.226 35.4436 39.1808 39.7477 48.5791 -18.9608 40.4054 -20.0721 -32.3074 TIMING: 1624600 CPU: 4710.89, 0.00287585/step Wall: 4710.89, 0.00287585/step, 2.69643 hours remaining, 209.203125 MB of memory in use. ENERGY: 1624600 731.3325 2066.0605 1939.1309 113.5019 -206284.6374 17974.8068 0.0000 0.0000 34414.5024 -149045.3023 300.5504 -183459.8048 -148950.8272 300.3146 166.8381 198.0363 557111.1149 16.8180 16.8326 PRESSURE: 1624800 100.258 -88.3994 -68.4464 -88.4008 247.945 -88.9754 -68.4464 -88.974 96.5468 GPRESSURE: 1624800 155.641 -93.302 -121.947 -120.842 284.653 -87.7174 -48.7779 -35.094 92.0452 PRESSAVG: 1624800 34.7724 -6.5244 7.38615 -6.52442 -33.2007 -2.26549 7.38617 -2.26545 -0.786909 GPRESSAVG: 1624800 32.9464 -4.94813 6.83584 -6.98905 -32.449 -3.83953 7.54962 -3.43428 -0.235923 TIMING: 1624800 CPU: 4711.47, 0.00289213/step Wall: 4711.47, 0.00289213/step, 2.71154 hours remaining, 209.203125 MB of memory in use. ENERGY: 1624800 718.2920 2080.0570 1918.8665 121.0467 -206418.8364 17981.7459 0.0000 0.0000 34494.9118 -149103.9165 301.2526 -183598.8283 -149005.4076 299.9544 148.2498 177.4462 557370.0633 0.2616 0.0872 PRESSURE: 1625000 203.283 -75.616 -64.3691 -75.6174 95.042 22.1898 -64.369 22.1894 -228.145 GPRESSURE: 1625000 293.33 -180.224 -85.6796 -20.8143 65.525 -7.67915 17.6035 7.7272 -195.757 PRESSAVG: 1625000 15.7328 -26.452 -6.87385 -26.452 4.9841 -29.3588 -6.87395 -29.3588 -27.313 GPRESSAVG: 1625000 18.2201 -25.2597 -6.09619 -27.4831 3.69246 -29.4599 -7.12512 -31.0766 -28.6413 TIMING: 1625000 CPU: 4712.05, 0.00288451/step Wall: 4712.05, 0.00288451/step, 2.70423 hours remaining, 209.203125 MB of memory in use. ENERGY: 1625000 752.4771 2081.7838 1954.6482 112.1104 -206263.8375 17932.9061 0.0000 0.0000 34196.6197 -149233.2922 298.6476 -183429.9120 -149134.0370 299.0978 23.3932 54.3662 557257.9473 -2.1987 -2.2429 PRESSURE: 1625200 -152.456 78.8585 -69.2384 78.8599 52.7904 1.38165 -69.2374 1.38126 -47.3023 GPRESSURE: 1625200 -161.637 79.5346 -76.4649 107.336 83.2152 -82.5439 -104.466 55.9807 21.7551 PRESSAVG: 1625200 -40.3221 -43.1481 -8.7096 -43.1481 38.5618 -4.8639 -8.70962 -4.86391 28.5909 GPRESSAVG: 1625200 -41.5358 -45.5653 -7.69114 -42.075 37.603 -4.18765 -10.485 -3.87739 30.2888 TIMING: 1625200 CPU: 4712.63, 0.00290361/step Wall: 4712.63, 0.00290361/step, 2.72197 hours remaining, 209.203125 MB of memory in use. ENERGY: 1625200 729.2950 2111.0078 1935.6277 112.0651 -206346.5005 17785.7391 0.0000 0.0000 34352.8409 -149319.9249 300.0119 -183672.7658 -149228.8660 298.8646 -48.9893 -18.8889 558493.9681 8.9435 8.7853 PRESSURE: 1625400 -54.6139 -2.3873 166.387 -2.38637 59.6121 85.3988 166.387 85.3996 229.867 GPRESSURE: 1625400 -20.1982 77.1021 123.267 -25.5438 79.2919 9.64265 259.294 159.084 271.006 PRESSAVG: 1625400 -52.6195 -41.4946 79.4942 -41.4946 3.0482 23.5309 79.4942 23.5309 10.3125 GPRESSAVG: 1625400 -54.3052 -40.5825 77.1162 -40.8669 4.82111 23.4915 82.9916 23.826 9.73772 TIMING: 1625400 CPU: 4713.22, 0.00292175/step Wall: 4713.22, 0.00292175/step, 2.73881 hours remaining, 209.203125 MB of memory in use. ENERGY: 1625400 735.9869 2030.8374 1959.5017 103.6670 -206275.8739 17833.3132 0.0000 0.0000 34322.9450 -149289.6227 299.7508 -183612.5676 -149187.9877 299.2527 78.2882 110.0334 557470.5011 -13.0863 -13.2488 PRESSURE: 1625600 -14.4709 -2.82384 -110.8 -2.82292 62.0549 -100.146 -110.8 -100.147 60.968 GPRESSURE: 1625600 3.29421 26.9445 -55.1027 22.7656 117.651 -68.494 -170.538 -76.05 80.6214 PRESSAVG: 1625600 -43.7188 -38.9561 15.2489 -38.9562 61.0583 81.9162 15.2489 81.9162 30.9458 GPRESSAVG: 1625600 -43.0239 -40.8807 18.2633 -37.9121 60.1661 83.0725 11.3268 80.7445 30.7168 TIMING: 1625600 CPU: 4713.8, 0.00290861/step Wall: 4713.8, 0.00290861/step, 2.72634 hours remaining, 209.203125 MB of memory in use. ENERGY: 1625600 738.7968 2012.1339 1956.1186 105.2278 -206093.5453 17851.5092 0.0000 0.0000 34234.5546 -149195.2043 298.9789 -183429.7589 -149090.3540 299.0236 36.1840 67.1889 557246.9895 16.0951 15.9530 PRESSURE: 1625800 247.881 -138.318 -40.752 -138.318 432.603 -14.9842 -40.7538 -14.9837 -122.282 GPRESSURE: 1625800 224.895 -99.2007 32.8386 -149.763 472.782 -59.3017 39.9907 -5.79075 -46.2793 PRESSAVG: 1625800 44.0414 -45.0974 -1.52605 -45.0974 2.21471 91.8692 -1.52597 91.8692 -15.3699 GPRESSAVG: 1625800 43.6296 -42.513 -3.48258 -47.8769 3.17777 91.3006 1.43471 94.3094 -15.7153 TIMING: 1625800 CPU: 4714.38, 0.00289861/step Wall: 4714.38, 0.00289861/step, 2.7168 hours remaining, 209.203125 MB of memory in use. ENERGY: 1625800 743.7968 2063.1800 1931.4885 111.7920 -206634.4732 18093.2144 0.0000 0.0000 34420.0089 -149270.9927 300.5985 -183691.0015 -149171.0362 298.7876 186.0675 217.1326 556444.4389 10.2954 10.3640 PRESSURE: 1626000 -13.65 67.3115 17.98 67.3092 -176.277 169.625 17.9802 169.624 -191.545 GPRESSURE: 1626000 7.60078 -16.2228 -26.3407 106.554 -118.005 129.008 3.76181 123.979 -168.302 PRESSAVG: 1626000 81.1623 -16.155 15.6895 -16.155 9.05755 -4.55607 15.6895 -4.55605 -70.2648 GPRESSAVG: 1626000 82.4119 -16.5809 15.1319 -16.532 7.89947 -5.62808 16.2476 -5.07817 -70.2095 TIMING: 1626000 CPU: 4714.96, 0.00292274/step Wall: 4714.96, 0.00292274/step, 2.73926 hours remaining, 209.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1626000 757.8609 2095.3323 1954.7144 113.5984 -206117.8186 17714.7954 0.0000 0.0000 34253.3286 -149228.1885 299.1428 -183481.5171 -149125.2274 299.0301 -127.1574 -92.9021 557594.2271 6.6517 6.7006 PRESSURE: 1626200 64.0816 -38.2872 190.202 -38.2889 46.0788 -36.9146 190.201 -36.9143 141.156 GPRESSURE: 1626200 137.438 -46.1645 115.907 -36.4348 67.268 -96.6576 228.104 41.5852 147.268 PRESSAVG: 1626200 -5.81685 10.785 30.9371 10.785 19.2012 5.866 30.9371 5.866 -7.45494 GPRESSAVG: 1626200 -6.63403 9.31398 31.6328 12.4628 19.1756 5.25559 29.5569 5.3878 -5.89624 TIMING: 1626200 CPU: 4715.55, 0.00292128/step Wall: 4715.55, 0.00292128/step, 2.73773 hours remaining, 209.203125 MB of memory in use. ENERGY: 1626200 728.8388 2064.4630 1890.9378 110.2682 -206375.1298 17961.2322 0.0000 0.0000 34297.5831 -149321.8066 299.5293 -183619.3898 -149216.4779 298.6650 83.7722 117.3248 556236.6227 1.9765 2.2151 PRESSURE: 1626400 55.9424 246.374 1.49995 246.374 -135.702 -47.5415 1.50081 -47.5412 12.7597 GPRESSURE: 1626400 86.2662 219.919 -48.8663 205.601 -89.6499 -55.3262 27.0394 -50.0522 35.1989 PRESSAVG: 1626400 -1.92744 32.5653 -31.0278 32.5652 35.4334 10.9933 -31.0279 10.9933 -63.8269 GPRESSAVG: 1626400 -1.17292 33.2015 -28.6206 32.7108 36.5358 11.943 -31.123 10.8793 -65.8439 TIMING: 1626400 CPU: 4716.12, 0.00289689/step Wall: 4716.12, 0.00289689/step, 2.71471 hours remaining, 209.203125 MB of memory in use. ENERGY: 1626400 768.7744 2111.0461 1936.7999 103.0572 -206075.2423 17799.7677 0.0000 0.0000 34096.3490 -149259.4480 297.7719 -183355.7969 -149166.0961 298.6989 -22.3333 10.6051 557652.4615 -10.1070 -10.1603 PRESSURE: 1626600 -20.1927 79.9549 -90.0978 79.9551 -61.774 11.5736 -90.0966 11.5731 -100.18 GPRESSURE: 1626600 -70.718 3.33692 -76.1467 124.652 -28.5312 -37.4458 -61.0305 2.09959 7.72429 PRESSAVG: 1626600 0.545036 9.29078 27.2008 9.29064 5.34978 -45.461 27.2008 -45.461 -55.2136 GPRESSAVG: 1626600 -0.123617 9.148 25.636 9.70967 4.23219 -45.9277 26.2788 -47.0674 -53.8958 TIMING: 1626600 CPU: 4716.71, 0.00291544/step Wall: 4716.71, 0.00291544/step, 2.73193 hours remaining, 209.203125 MB of memory in use. ENERGY: 1626600 746.5691 2052.7123 1943.0819 106.5067 -206084.6033 17671.5091 0.0000 0.0000 34226.6744 -149337.5500 298.9101 -183564.2244 -149246.9002 298.3643 -60.7155 -30.5083 557344.8578 -16.4396 -16.5957 PRESSURE: 1626800 -219.924 124.224 162.249 124.224 16.8865 42.6452 162.247 42.6458 -139.996 GPRESSURE: 1626800 -215.287 169.527 201.868 80.777 33.1648 15.571 40.9901 7.02222 -63.8099 PRESSAVG: 1626800 14.1506 9.52595 14.6275 9.52596 25.4823 -5.10755 14.6275 -5.10765 -23.703 GPRESSAVG: 1626800 12.7241 10.6943 14.8716 8.22715 26.7343 -4.42734 14.6089 -3.8838 -22.8482 TIMING: 1626800 CPU: 4717.29, 0.00293272/step Wall: 4717.29, 0.00293272/step, 2.74796 hours remaining, 209.203125 MB of memory in use. ENERGY: 1626800 744.7570 2047.4823 1929.3641 109.0054 -206160.7663 17672.6677 0.0000 0.0000 34237.7506 -149419.7393 299.0068 -183657.4899 -149333.6146 298.3374 -114.3445 -81.9773 559422.6229 5.3100 5.5367 PRESSURE: 1627000 55.2922 -61.8839 -129.162 -61.884 -80.0116 43.1654 -129.163 43.1638 -81.0494 GPRESSURE: 1627000 39.1101 -53.7324 -168.155 -56.8252 -22.3781 118.58 -64.0968 31.4124 -28.5684 PRESSAVG: 1627000 -3.53133 27.4886 26.9064 27.4886 14.1235 17.5827 26.9064 17.5828 8.04574 GPRESSAVG: 1627000 -1.99627 26.737 25.9237 28.3226 13.0849 18.2023 28.372 19.8013 7.59564 TIMING: 1627000 CPU: 4717.88, 0.00290811/step Wall: 4717.88, 0.00290811/step, 2.72474 hours remaining, 209.203125 MB of memory in use. ENERGY: 1627000 762.3615 2153.3489 1946.6511 103.6954 -206516.1922 17898.8631 0.0000 0.0000 34320.5068 -149330.7655 299.7295 -183651.2723 -149239.2334 298.7736 -35.2563 -3.9454 557179.7005 6.2126 6.2281 PRESSURE: 1627200 155.002 177.985 -112.725 177.985 -97.5282 49.9942 -112.723 49.9923 102.496 GPRESSURE: 1627200 168.812 188.643 -48.055 80.8204 -121.015 67.4594 -70.8501 -1.96123 190.642 PRESSAVG: 1627200 -4.167 13.6543 -54.7085 13.6542 33.3471 -13.8226 -54.7085 -13.8227 -7.48307 GPRESSAVG: 1627200 -4.61673 13.5694 -53.7766 13.9073 34.0196 -14.3469 -55.4715 -13.7793 -8.23519 TIMING: 1627200 CPU: 4718.46, 0.00289945/step Wall: 4718.46, 0.00289945/step, 2.71647 hours remaining, 209.203125 MB of memory in use. ENERGY: 1627200 752.9912 2131.0317 1930.7195 102.8473 -206437.1634 17926.7145 0.0000 0.0000 34168.5870 -149424.2721 298.4028 -183592.8592 -149332.6480 298.1658 53.3234 79.4797 557307.5281 7.2323 7.0559 PRESSURE: 1627400 -41.3546 -187.124 -64.5876 -187.123 -70.0513 123.669 -64.5891 123.669 -337.909 GPRESSURE: 1627400 44.5891 -127.772 -72.3943 -193.128 -116.092 32.2197 -42.084 101.653 -289.078 PRESSAVG: 1627400 11.5775 56.1764 0.909958 56.1763 2.28293 36.6225 0.909881 36.6224 25.7134 GPRESSAVG: 1627400 11.7639 57.4325 3.02135 54.0518 1.918 35.8704 -0.52213 34.3739 25.8009 TIMING: 1627400 CPU: 4719.03, 0.00289108/step Wall: 4719.03, 0.00289108/step, 2.70846 hours remaining, 209.203125 MB of memory in use. ENERGY: 1627400 689.7044 2083.6087 1959.8180 120.1694 -205619.1487 17398.0920 0.0000 0.0000 34118.9802 -149248.7759 297.9695 -183367.7561 -149152.6427 298.9251 -149.7716 -120.1935 558589.4079 13.1913 13.1609 PRESSURE: 1627600 123.529 76.5589 -154.836 76.5592 208.168 -15.1291 -154.836 -15.1283 -60.2724 GPRESSURE: 1627600 189.745 78.6303 -115.593 82.2455 251.867 -20.4671 -78.7086 18.7468 -51.5073 PRESSAVG: 1627600 37.1373 -0.889251 4.65064 -0.889297 12.9247 56.4269 4.65064 56.4269 -22.0117 GPRESSAVG: 1627600 36.8997 -2.29754 3.10307 -0.133696 13.0551 58.0666 4.76143 56.7372 -21.4754 TIMING: 1627600 CPU: 4719.61, 0.0029025/step Wall: 4719.61, 0.0029025/step, 2.719 hours remaining, 209.203125 MB of memory in use. ENERGY: 1627600 737.3337 2102.2886 1948.7391 104.1311 -206427.4395 17887.6310 0.0000 0.0000 34350.4633 -149296.8527 299.9911 -183647.3160 -149199.7372 299.2080 90.4751 130.0349 556867.4714 9.3501 9.4931 PRESSURE: 1627800 -208.446 38.0357 -112.127 38.0363 -26.9436 14.3064 -112.127 14.308 -142.326 GPRESSURE: 1627800 -187.467 120.107 49.9125 32.4631 -46.597 -5.49394 -82.7272 18.9905 -43.6691 PRESSAVG: 1627800 -10.0103 45.5497 -17.93 45.5496 -36.3626 -2.42585 -17.9301 -2.42597 3.97871 GPRESSAVG: 1627800 -9.86976 46.2711 -19.1277 45.5371 -36.0918 -3.07573 -15.6689 -2.14233 3.60214 TIMING: 1627800 CPU: 4720.19, 0.00289966/step Wall: 4720.19, 0.00289966/step, 2.71618 hours remaining, 209.203125 MB of memory in use. ENERGY: 1627800 754.7976 2036.8007 1950.3600 97.9626 -206276.7972 17703.5925 0.0000 0.0000 34474.6390 -149258.6448 301.0756 -183733.2838 -149168.0311 299.1825 -125.9052 -92.5775 556798.4682 -14.1314 -14.1198 PRESSURE: 1628000 43.7929 -244.147 20.553 -244.147 -45.5672 -86.9629 20.553 -86.9631 160.598 GPRESSURE: 1628000 76.0294 -186.388 59.414 -214.786 38.223 -71.1967 -17.3421 -66.9138 125.61 PRESSAVG: 1628000 6.36658 -10.7502 -14.8869 -10.7502 7.60877 49.0951 -14.8869 49.0951 -29.3832 GPRESSAVG: 1628000 6.26115 -12.3002 -12.522 -10.3378 8.41641 49.3415 -15.8972 48.6093 -29.8711 TIMING: 1628000 CPU: 4720.77, 0.00287517/step Wall: 4720.77, 0.00287517/step, 2.69308 hours remaining, 209.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1628000 741.2820 2120.8118 1979.3832 108.7139 -206248.7078 17885.0026 0.0000 0.0000 34069.4968 -149344.0174 297.5374 -183413.5143 -149255.6993 299.1038 52.9413 79.9543 557266.8724 -5.1360 -5.0645 PRESSURE: 1628200 -0.80449 88.9381 -190.634 88.9368 -177.342 153.809 -190.633 153.809 204.288 GPRESSURE: 1628200 53.3655 70.7157 -127.684 145.888 -165.837 313.378 -229.409 95.6069 248.277 PRESSAVG: 1628200 -33.4557 -6.28862 -74.8452 -6.2886 12.5745 -1.33205 -74.8452 -1.33201 25.9606 GPRESSAVG: 1628200 -33.9576 -5.31112 -76.5518 -6.10656 12.1017 0.278865 -76.6044 -0.197501 26.932 TIMING: 1628200 CPU: 4721.35, 0.00288754/step Wall: 4721.35, 0.00288754/step, 2.70451 hours remaining, 209.203125 MB of memory in use. ENERGY: 1628200 718.2392 2095.9571 1913.6442 113.8088 -206380.7024 17838.2802 0.0000 0.0000 34252.2808 -149448.4921 299.1337 -183700.7729 -149352.6147 298.4287 8.7137 45.2684 557639.8548 1.6931 1.6920 LDB: ============= START OF LOAD BALANCING ============== 4724.73 LDB: ============== END OF LOAD BALANCING =============== 4724.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4724.73 LDB: ============= START OF LOAD BALANCING ============== 4725.02 LDB: Largest compute 4792 load 0.022582 is 19.1% of average load 0.117983 LDB: Average compute 0.001711 is 1.5% of average load 0.117983 LDB: TIME 4725.02 LOAD: AVG 0.117983 MAX 0.181695 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 4725.02 LOAD: AVG 0.117983 MAX 0.181695 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: TIME 4725.02 LOAD: AVG 0.117983 MAX 0.181695 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4725.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4725.03 PRESSURE: 1628400 -42.8239 16.8548 -7.06698 16.8533 18.7059 159.459 -7.06848 159.459 -73.9496 GPRESSURE: 1628400 -18.4934 85.0253 57.4825 79.5328 54.3115 199.17 -35.5868 64.7823 -39.2813 PRESSAVG: 1628400 -14.6217 37.4255 -39.2843 37.4254 -10.4034 55.8067 -39.2843 55.8067 13.3508 GPRESSAVG: 1628400 -12.9763 40.8828 -39.5303 36.2898 -11.6218 55.545 -38.6324 52.5873 13.2388 TIMING: 1628400 CPU: 4721.94, 0.00294057/step Wall: 4721.94, 0.00294057/step, 2.754 hours remaining, 208.800781 MB of memory in use. ENERGY: 1628400 733.3181 2130.4992 1912.8723 109.5223 -206277.6195 17734.3151 0.0000 0.0000 34282.0591 -149375.0334 299.3937 -183657.0925 -149275.9516 298.9781 -32.6892 -1.1544 557490.7932 -3.8915 -3.7865 PRESSURE: 1628600 181.25 -48.5148 34.352 -48.515 261.311 9.70381 34.3516 9.7028 181.434 GPRESSURE: 1628600 270.445 -115.387 29.1398 -91.9079 236.93 121.415 78.7692 -61.3125 222.282 PRESSAVG: 1628600 -17.7306 -33.0549 -90.2277 -33.0549 13.2409 -12.8865 -90.2278 -12.8865 29.2985 GPRESSAVG: 1628600 -18.0943 -36.3917 -91.0499 -30.4103 13.7628 -13.5846 -88.1811 -9.8998 29.2876 TIMING: 1628600 CPU: 4722.51, 0.00288171/step Wall: 4722.51, 0.00288171/step, 2.69872 hours remaining, 208.800781 MB of memory in use. ENERGY: 1628600 755.3005 2042.8602 1949.8112 100.7754 -206575.7401 18175.7868 0.0000 0.0000 34355.0996 -149196.1065 300.0316 -183551.2061 -149105.7919 299.6095 207.9986 243.2189 555998.1736 8.2696 8.3187 PRESSURE: 1628800 -110.181 102.2 104.805 102.201 -31.5158 -110.351 104.806 -110.351 3.36108 GPRESSURE: 1628800 -11.7432 198.746 68.9356 92.1181 6.04662 -109.819 150.045 -54.1403 -22.8451 PRESSAVG: 1628800 57.9604 -9.69877 -28.2075 -9.69878 10.4989 -68.4581 -28.2075 -68.458 -52.3414 GPRESSAVG: 1628800 59.1995 -9.08177 -29.4064 -10.0732 9.50844 -66.3098 -27.3079 -68.5614 -52.5262 TIMING: 1628800 CPU: 4723.09, 0.00288487/step Wall: 4723.09, 0.00288487/step, 2.70152 hours remaining, 208.800781 MB of memory in use. ENERGY: 1628800 732.3854 2086.9139 1951.2777 118.7708 -206097.3960 17595.2742 0.0000 0.0000 34244.0037 -149368.7704 299.0614 -183612.7741 -149272.2010 299.4998 -46.1119 -9.5139 558238.1434 5.3727 5.3939 PRESSURE: 1629000 -57.6742 -88.9534 73.9641 -88.954 76.4599 -53.8894 73.9652 -53.8896 72.5774 GPRESSURE: 1629000 -17.6974 -26.5381 151.785 -64.374 138.935 -147.412 88.7601 -23.8552 66.3075 PRESSAVG: 1629000 30.659 44.5758 -39.2766 44.5759 2.4338 -2.80466 -39.2765 -2.80472 -10.3716 GPRESSAVG: 1629000 29.4677 46.0807 -36.5134 42.4569 2.83885 -4.96128 -43.0615 -2.27069 -10.508 TIMING: 1629000 CPU: 4723.67, 0.00290232/step Wall: 4723.67, 0.00290232/step, 2.7177 hours remaining, 208.800781 MB of memory in use. ENERGY: 1629000 727.8878 2127.8585 1941.3577 112.4173 -206574.0172 17857.3145 0.0000 0.0000 34400.8972 -149406.2842 300.4316 -183807.1814 -149307.1612 298.9036 30.4544 62.5150 558676.2832 7.5737 7.2662 PRESSURE: 1629200 74.6242 24.5838 -250.422 24.5848 -144.638 79.7922 -250.423 79.7931 -176.133 GPRESSURE: 1629200 84.5866 109.937 -273.879 -5.22673 -135.461 102.403 -162.291 121.496 -110.145 PRESSAVG: 1629200 5.86402 -17.9362 -48.5024 -17.9362 -13.5113 10.1689 -48.5024 10.169 -36.2623 GPRESSAVG: 1629200 5.69577 -18.129 -48.0854 -16.2527 -13.782 9.99459 -48.0089 10.1056 -35.7943 TIMING: 1629200 CPU: 4724.25, 0.00289503/step Wall: 4724.25, 0.00289503/step, 2.71071 hours remaining, 208.800781 MB of memory in use. ENERGY: 1629200 735.5979 2096.5872 1934.6955 116.5564 -206226.0637 17631.0701 0.0000 0.0000 34451.3451 -149260.2115 300.8722 -183711.5566 -149170.2391 299.1659 -82.0488 -53.6732 557634.5783 -14.6365 -14.6268 PRESSURE: 1629400 -216.864 208.799 28.4726 208.799 295.316 -75.1011 28.4736 -75.1013 122.438 GPRESSURE: 1629400 -166.329 186.245 112.282 173.756 334.491 -91.4821 50.5417 28.7578 129.737 PRESSAVG: 1629400 -45.1863 38.9111 -19.221 38.9111 -3.96939 17.9736 -19.221 17.9737 38.9256 GPRESSAVG: 1629400 -45.9666 37.8949 -19.7798 37.9916 -3.25367 17.84 -18.9136 17.1075 38.8598 TIMING: 1629400 CPU: 4724.83, 0.00290772/step Wall: 4724.83, 0.00290772/step, 2.72243 hours remaining, 208.800781 MB of memory in use. ENERGY: 1629400 722.5158 2081.0279 1935.2160 113.5692 -206337.6031 17992.4594 0.0000 0.0000 34098.7360 -149394.0787 297.7927 -183492.8147 -149301.2246 299.2538 66.9634 99.2997 558664.6339 -3.4100 -3.4535 PRESSURE: 1629600 198.457 75.4549 25.3594 75.4555 -52.6852 163.455 25.3607 163.455 216.936 GPRESSURE: 1629600 192.368 123.238 85.7482 14.4629 -75.0065 136.65 50.3937 140.845 343.697 PRESSAVG: 1629600 -15.1554 6.03105 8.90702 6.03104 61.3197 4.34191 8.90707 4.34199 -16.6919 GPRESSAVG: 1629600 -14.0014 5.58402 7.74326 5.13032 60.6956 4.97268 7.63785 6.51719 -17.2104 TIMING: 1629600 CPU: 4725.41, 0.00290952/step Wall: 4725.41, 0.00290952/step, 2.72395 hours remaining, 209.058594 MB of memory in use. ENERGY: 1629600 776.0651 2102.6345 1953.0944 114.5566 -206748.0075 18130.7503 0.0000 0.0000 34274.7534 -149396.1531 299.3299 -183670.9065 -149300.2722 298.9837 120.9025 153.6863 556690.3723 9.8241 9.8279 PRESSURE: 1629800 221.55 153.826 88.2363 153.825 151.714 -67.9917 88.2363 -67.9928 2.24492 GPRESSURE: 1629800 215.563 61.3659 64.0996 171.062 215.226 -43.935 92.5067 -68.4248 33.1296 PRESSAVG: 1629800 5.18763 8.31295 28.2916 8.31299 -18.1923 -17.841 28.2915 -17.841 -31.216 GPRESSAVG: 1629800 5.55335 9.67874 27.04 10.5651 -18.6451 -17.6905 29.8216 -19.2092 -31.1138 TIMING: 1629800 CPU: 4726, 0.00293392/step Wall: 4726, 0.00293392/step, 2.74664 hours remaining, 209.058594 MB of memory in use. ENERGY: 1629800 711.2386 2076.1116 1927.9407 122.0286 -206528.6006 18065.6328 0.0000 0.0000 34218.4178 -149407.2305 298.8380 -183625.6483 -149302.7911 298.8494 125.1698 154.6394 558068.9717 -14.7402 -14.7352 PRESSURE: 1630000 -175.871 -253.888 5.32409 -253.887 144.917 -200.109 5.32374 -200.109 -163.188 GPRESSURE: 1630000 -156.265 -246.45 -14.6884 -217.357 140.914 -207.974 -24.2114 -233.15 -89.8661 PRESSAVG: 1630000 5.26668 -18.5648 50.2558 -18.5648 63.8585 -21.9382 50.2558 -21.9382 -84.11 GPRESSAVG: 1630000 4.08491 -21.1189 51.5642 -18.398 64.2667 -23.1146 49.614 -21.5967 -83.3714 TIMING: 1630000 CPU: 4726.58, 0.00290728/step Wall: 4726.58, 0.00290728/step, 2.72154 hours remaining, 209.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1630000 725.0141 2094.3624 1939.4257 109.9732 -206085.9842 17606.6524 0.0000 0.0000 34186.1739 -149424.3825 298.5564 -183610.5564 -149328.7813 298.9189 -64.7136 -35.0724 556923.7772 -4.9949 -5.0066 PRESSURE: 1630200 193.475 31.5633 201.786 31.5622 71.5352 76.5652 201.786 76.5648 121.239 GPRESSURE: 1630200 208.076 80.9892 222.092 9.67111 136.831 50.7788 106.796 50.2766 136.513 PRESSAVG: 1630200 57.1691 -30.8336 15.2987 -30.8336 -12.8294 -53.1865 15.2987 -53.1866 -68.3208 GPRESSAVG: 1630200 55.7854 -30.4507 16.3858 -33.7765 -10.7326 -52.753 14.1774 -53.7201 -69.1585 TIMING: 1630200 CPU: 4727.16, 0.00289275/step Wall: 4727.16, 0.00289275/step, 2.70777 hours remaining, 209.058594 MB of memory in use. ENERGY: 1630200 725.1104 2061.1234 1939.8843 109.1681 -206699.7549 18063.4678 0.0000 0.0000 34139.4877 -149661.5131 298.1486 -183801.0008 -149563.8569 298.1260 128.7496 160.4733 556222.0521 -7.9937 -8.0352 PRESSURE: 1630400 147.245 10.8724 44.0798 10.8716 84.8219 8.47852 44.0798 8.47858 50.9347 GPRESSURE: 1630400 231.07 -40.9692 47.8289 3.14382 87.9071 29.2814 43.7128 11.0196 74.8823 PRESSAVG: 1630400 38.3145 44.8293 2.74284 44.8293 11.2007 8.15915 2.74283 8.15915 9.74154 GPRESSAVG: 1630400 40.1751 46.8758 2.00413 47.5149 9.94434 7.0525 5.21291 9.77633 9.10279 TIMING: 1630400 CPU: 4727.74, 0.00290695/step Wall: 4727.74, 0.00290695/step, 2.7209 hours remaining, 209.058594 MB of memory in use. ENERGY: 1630400 780.7303 2070.1703 1913.5776 123.1970 -206838.2141 18277.5680 0.0000 0.0000 34031.8227 -149641.1481 297.2084 -183672.9708 -149544.0840 298.4392 94.3338 131.2864 557706.6547 19.7522 19.7408 PRESSURE: 1630600 -132.581 18.3166 37.063 18.3156 9.70255 211.318 37.0653 211.318 -184.215 GPRESSURE: 1630600 -123.072 51.0231 16.5345 -93.8937 104.433 201.893 52.7998 274.216 -177.444 PRESSAVG: 1630600 43.7257 -18.3727 -85.7246 -18.3727 -20.023 -4.94891 -85.7246 -4.94874 -11.8091 GPRESSAVG: 1630600 43.1029 -20.1472 -84.485 -20.1366 -20.1157 -2.23323 -87.4362 -7.05225 -11.2595 TIMING: 1630600 CPU: 4728.32, 0.0029069/step Wall: 4728.32, 0.0029069/step, 2.7207 hours remaining, 209.058594 MB of memory in use. ENERGY: 1630600 773.9429 2065.0990 1935.9645 117.8006 -206265.7694 17915.9914 0.0000 0.0000 33987.1776 -149469.7935 296.8185 -183456.9710 -149375.8125 297.9874 -102.3646 -65.3608 559367.0861 3.9645 3.9092 PRESSURE: 1630800 -35.5987 7.82713 88.2052 7.82672 249.882 148.598 88.2067 148.598 37.8429 GPRESSURE: 1630800 37.69 12.9454 38.2115 7.60453 277.421 171.993 134.419 140.666 34.4104 PRESSAVG: 1630800 -12.7588 -47.218 10.4201 -47.218 14.5543 51.5 10.4202 51.5 -3.14705 GPRESSAVG: 1630800 -12.5334 -44.9596 9.04955 -47.2375 16.3679 49.5263 12.0021 53.2779 -4.69469 TIMING: 1630800 CPU: 4728.9, 0.00291068/step Wall: 4728.9, 0.00291068/step, 2.72407 hours remaining, 209.058594 MB of memory in use. ENERGY: 1630800 775.1274 2052.6596 1947.2198 115.2678 -206846.2294 18236.8173 0.0000 0.0000 34231.2320 -149487.9055 298.9499 -183719.1375 -149392.0904 298.1358 84.0419 116.5073 558670.1931 -0.4505 -0.2867 PRESSURE: 1631000 79.7563 -53.1277 -84.9558 -53.1284 -145.32 -51.7447 -84.9561 -51.7448 -225.509 GPRESSURE: 1631000 130.203 -65.7918 -145.157 -104.005 -166.705 -76.7787 -36.1393 -27.0292 -156.907 PRESSAVG: 1631000 -7.66938 -0.446795 -9.80014 -0.44684 2.99626 24.0589 -9.80014 24.059 9.01519 GPRESSAVG: 1631000 -7.5756 -4.72812 -9.51001 1.5614 1.62747 24.3502 -9.20001 23.8489 10.8419 TIMING: 1631000 CPU: 4729.49, 0.00292049/step Wall: 4729.49, 0.00292049/step, 2.73309 hours remaining, 209.058594 MB of memory in use. ENERGY: 1631000 777.7020 2033.0955 1964.5311 113.5574 -206682.1155 18036.2336 0.0000 0.0000 34230.4252 -149526.5707 298.9428 -183756.9959 -149424.4817 298.5137 -97.0241 -64.4696 560016.1552 1.4474 1.6313 PRESSURE: 1631200 42.8265 -51.4056 94.3546 -51.4052 38.7232 -182.547 94.3533 -182.548 -75.7502 GPRESSURE: 1631200 96.1202 -3.17639 161.876 -25.401 65.8047 -245.766 74.1271 -125.288 -56.9943 PRESSAVG: 1631200 7.9594 18.3393 -4.08112 18.3393 9.42286 -26.3361 -4.08117 -26.336 -22.0848 GPRESSAVG: 1631200 8.48266 20.0254 -4.52787 16.9559 9.60183 -26.2468 -4.73519 -26.5265 -21.9248 TIMING: 1631200 CPU: 4730.07, 0.00290478/step Wall: 4730.07, 0.00290478/step, 2.71823 hours remaining, 209.058594 MB of memory in use. ENERGY: 1631200 769.8025 2099.2846 1935.9802 109.5985 -206640.3052 18054.6744 0.0000 0.0000 34240.3459 -149430.6190 299.0295 -183670.9650 -149335.7312 298.6398 1.9332 34.9769 559786.4978 -1.5675 -1.2801 PRESSURE: 1631400 -276.164 -83.4629 19.2089 -83.4631 137.297 72.884 19.207 72.8849 -199.541 GPRESSURE: 1631400 -225.992 -105.496 41.8004 -35.1071 166.253 120.054 -63.6617 60.7413 -190.652 PRESSAVG: 1631400 -24.2911 1.98573 22.1933 1.98574 14.4129 -27.296 22.1933 -27.2959 27.0761 GPRESSAVG: 1631400 -25.0235 3.08722 22.4846 1.90334 15.4254 -26.202 21.4767 -28.3283 26.8559 TIMING: 1631400 CPU: 4730.65, 0.00291314/step Wall: 4730.65, 0.00291314/step, 2.72589 hours remaining, 209.074219 MB of memory in use. ENERGY: 1631400 725.0482 2005.2383 1941.5348 105.4231 -206104.7953 17674.0794 0.0000 0.0000 34376.7585 -149276.7130 300.2208 -183653.4715 -149180.4601 298.4089 -112.8027 -83.4639 559834.7168 5.7326 5.7526 PRESSURE: 1631600 -137.434 -15.0943 -21.1236 -15.0939 -60.1891 11.186 -21.124 11.1858 -36.4102 GPRESSURE: 1631600 -63.7072 66.5022 -28.4779 -110.506 -100.298 102.792 -87.984 11.0057 42.5873 PRESSAVG: 1631600 -32.7037 8.85374 39.1885 8.85375 3.24119 -33.1865 39.1886 -33.1865 81.5673 GPRESSAVG: 1631600 -32.6083 9.23935 39.5455 9.17474 2.30365 -32.9929 38.3177 -32.2355 82.6478 TIMING: 1631600 CPU: 4731.23, 0.00290638/step Wall: 4731.23, 0.00290638/step, 2.7194 hours remaining, 209.273438 MB of memory in use. ENERGY: 1631600 750.4672 1996.8449 1935.7836 114.6342 -206208.2937 17852.9538 0.0000 0.0000 34115.0610 -149442.5489 297.9353 -183557.6099 -149341.6081 299.5425 -78.0111 -40.4726 558722.8111 17.3683 17.4477 PRESSURE: 1631800 83.355 168.927 17.2186 168.926 -64.0718 43.0762 17.2171 43.0752 60.1923 GPRESSURE: 1631800 160.833 181.983 51.0322 216.96 -88.3379 139.437 5.14936 34.7349 106.814 PRESSAVG: 1631800 32.8614 -23.8707 -48.5713 -23.8706 19.559 -11.6369 -48.5713 -11.6369 10.596 GPRESSAVG: 1631800 31.2945 -24.1878 -48.2338 -23.8231 21.8216 -14.0597 -48.3283 -11.9054 9.74389 TIMING: 1631800 CPU: 4731.81, 0.00290508/step Wall: 4731.81, 0.00290508/step, 2.71802 hours remaining, 209.273438 MB of memory in use. ENERGY: 1631800 767.5864 2038.8332 1918.5646 117.9662 -206238.2442 17862.5934 0.0000 0.0000 34283.0731 -149249.6274 299.4026 -183532.7004 -149152.4748 299.1709 26.4918 59.7697 557312.3290 21.0055 20.9533 PRESSURE: 1632000 146.312 -16.7848 163.382 -16.7843 -8.63851 -110.56 163.382 -110.558 4.0656 GPRESSURE: 1632000 162.154 -0.36695 190.596 39.7512 51.6215 -77.1094 100.36 -145.937 26.5685 PRESSAVG: 1632000 16.9879 -29.9468 20.768 -29.9467 -46.674 -22.2529 20.7679 -22.2529 23.6095 GPRESSAVG: 1632000 18.1091 -32.0958 20.3458 -29.1322 -48.4249 -21.7986 19.754 -22.8028 24.0018 TIMING: 1632000 CPU: 4732.39, 0.00290144/step Wall: 4732.39, 0.00290144/step, 2.71446 hours remaining, 209.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1632000 783.4982 2070.2141 1945.2149 112.6840 -206612.7475 17999.4643 0.0000 0.0000 34345.8074 -149355.8648 299.9505 -183701.6721 -149262.9885 299.1123 47.2462 80.1148 556679.4733 -2.0255 -2.1047 PRESSURE: 1632200 -102.191 -46.9058 51.2491 -46.9047 -150.069 -24.4107 51.2488 -24.4123 -253.243 GPRESSURE: 1632200 -85.8213 -57.3426 50.0198 -68.6132 -132.192 26.1685 42.6605 -51.9008 -209.06 PRESSAVG: 1632200 47.5926 6.82832 45.3591 6.82826 -67.6764 -48.3511 45.3591 -48.3512 14.0679 GPRESSAVG: 1632200 46.8355 6.90846 43.3974 6.46509 -66.8011 -47.0956 48.549 -48.3718 14.3691 TIMING: 1632200 CPU: 4732.98, 0.00291159/step Wall: 4732.98, 0.00291159/step, 2.72379 hours remaining, 209.273438 MB of memory in use. ENERGY: 1632200 779.6562 2088.1197 1933.7745 105.7113 -206215.3107 17606.6025 0.0000 0.0000 34276.5724 -149424.8740 299.3458 -183701.4465 -149327.3071 299.1711 -168.5009 -142.3575 556382.3575 -2.0053 -1.8655 LDB: ============= START OF LOAD BALANCING ============== 4736.36 LDB: ============== END OF LOAD BALANCING =============== 4736.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4736.36 LDB: ============= START OF LOAD BALANCING ============== 4736.65 LDB: Largest compute 4820 load 0.023423 is 19.9% of average load 0.117998 LDB: Average compute 0.001722 is 1.5% of average load 0.117998 LDB: TIME 4736.65 LOAD: AVG 0.117998 MAX 0.182589 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.891 MB LDB: TIME 4736.65 LOAD: AVG 0.117998 MAX 0.182589 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.953 MB LDB: TIME 4736.65 LOAD: AVG 0.117998 MAX 0.182589 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.953 MB LDB: ============== END OF LOAD BALANCING =============== 4736.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4736.66 PRESSURE: 1632400 -92.103 -86.3251 96.6706 -86.3254 -1.28052 32.7228 96.6707 32.725 -74.3717 GPRESSURE: 1632400 -39.7556 -85.5281 55.9811 -44.7851 -49.7379 13.2694 104.314 15.0528 1.60142 PRESSAVG: 1632400 26.4986 -13.4521 19.7642 -13.4522 25.031 35.16 19.7642 35.1599 -14.1712 GPRESSAVG: 1632400 28.4053 -12.3339 22.9364 -14.351 23.9241 34.0323 16.6956 36.0601 -14.6961 TIMING: 1632400 CPU: 4733.56, 0.0029432/step Wall: 4733.56, 0.0029432/step, 2.7532 hours remaining, 208.101562 MB of memory in use. ENERGY: 1632400 750.9096 2097.1161 1940.2972 111.1749 -206212.2399 17762.2857 0.0000 0.0000 34005.0332 -149545.4232 296.9744 -183550.4564 -149444.3272 298.8893 -55.9184 -29.2974 555944.0601 12.4528 12.5444 PRESSURE: 1632600 67.0173 -67.5204 93.4638 -67.5217 79.4353 -172.385 93.4644 -172.385 -225.329 GPRESSURE: 1632600 61.8346 -69.2947 25.6079 -170.845 107.503 -138.224 54.3277 -229.385 -141.343 PRESSAVG: 1632600 26.26 -16.362 -12.8682 -16.362 -36.5285 18.4546 -12.8682 18.4545 54.197 GPRESSAVG: 1632600 25.7112 -17.3688 -15.1391 -16.4112 -35.1994 16.9096 -10.8819 18.2888 54.1448 TIMING: 1632600 CPU: 4734.14, 0.00290086/step Wall: 4734.14, 0.00290086/step, 2.71343 hours remaining, 208.101562 MB of memory in use. ENERGY: 1632600 741.5494 2080.7519 1932.9202 122.4688 -206039.1622 17680.7800 0.0000 0.0000 34186.4752 -149294.2167 298.5590 -183480.6919 -149197.6898 298.9350 -26.2921 9.3318 558358.2082 14.6428 14.8855 PRESSURE: 1632800 218.137 -57.7889 102.15 -57.7887 -272.719 92.827 102.15 92.8268 -303.326 GPRESSURE: 1632800 260.899 -42.534 148.361 -96.6261 -233.774 128.446 96.761 21.712 -285.177 PRESSAVG: 1632800 29.209 25.4345 38.353 25.4346 1.47275 -9.23128 38.3531 -9.23121 -19.3242 GPRESSAVG: 1632800 29.6507 28.3377 38.4203 25.714 1.61523 -6.32188 38.9767 -10.3549 -19.7824 TIMING: 1632800 CPU: 4734.73, 0.00291676/step Wall: 4734.73, 0.00291676/step, 2.72814 hours remaining, 208.101562 MB of memory in use. ENERGY: 1632800 755.4351 2070.9756 1942.4753 126.9976 -206540.9238 17840.4668 0.0000 0.0000 34323.9675 -149480.6059 299.7597 -183804.5734 -149387.4498 298.5724 -119.3028 -86.0173 559048.6413 3.7858 3.8278 PRESSURE: 1633000 -143.037 127.572 -197.665 127.572 -199.353 -94.6596 -197.665 -94.6584 -136.388 GPRESSURE: 1633000 -104.794 20.4335 -165.179 121.552 -181.094 -95.1542 -285.06 -151.816 -90.2651 PRESSAVG: 1633000 78.6932 10.7871 37.0413 10.7872 -18.543 -30.2772 37.0413 -30.2773 -38.9572 GPRESSAVG: 1633000 77.0205 10.1356 38.2165 11.3353 -18.0016 -32.8439 35.5305 -29.238 -37.2793 TIMING: 1633000 CPU: 4735.32, 0.00294615/step Wall: 4735.32, 0.00294615/step, 2.75547 hours remaining, 208.101562 MB of memory in use. ENERGY: 1633000 772.8091 2085.9882 1932.1568 110.6772 -206182.2505 17715.8899 0.0000 0.0000 34264.4875 -149300.2418 299.2403 -183564.7293 -149204.8321 298.6187 -159.5928 -125.3842 560132.6254 7.0643 7.2465 PRESSURE: 1633200 98.7149 -43.6685 -59.4786 -43.6706 -90.0779 132.841 -59.4783 132.841 -74.3626 GPRESSURE: 1633200 93.622 -133.802 -98.2168 23.6338 -70.9112 161.761 14.5459 115.164 7.79222 PRESSAVG: 1633200 15.6742 1.22165 -6.78188 1.22164 -82.11 56.3664 -6.78186 56.3664 56.9913 GPRESSAVG: 1633200 16.2904 0.558173 -8.29628 2.10951 -82.2301 57.9379 -4.25115 55.9209 56.6636 TIMING: 1633200 CPU: 4735.9, 0.00289327/step Wall: 4735.9, 0.00289327/step, 2.70585 hours remaining, 208.101562 MB of memory in use. ENERGY: 1633200 788.6436 2088.2706 1952.8303 117.5047 -206548.9444 18022.9136 0.0000 0.0000 34257.9304 -149320.8512 299.1830 -183578.7816 -149223.4838 298.8792 -21.9085 10.1677 558385.3420 -3.1482 -3.0920 PRESSURE: 1633400 -194.542 15.5938 44.7963 15.5956 -158.507 -61.6686 44.796 -61.6676 -71.1851 GPRESSURE: 1633400 -172.983 17.4055 75.3577 18.666 -93.3374 -76.9532 33.2709 24.3937 -62.8562 PRESSAVG: 1633400 17.639 -49.6236 -17.874 -49.6235 4.49359 1.63368 -17.874 1.63376 -17.0347 GPRESSAVG: 1633400 18.0776 -49.3896 -17.1939 -50.6138 3.75105 1.41557 -19.1981 1.85702 -16.9335 TIMING: 1633400 CPU: 4736.47, 0.00287294/step Wall: 4736.47, 0.00287294/step, 2.68667 hours remaining, 208.101562 MB of memory in use. ENERGY: 1633400 724.2601 2168.5092 1927.1608 119.4862 -206060.1084 17698.3011 0.0000 0.0000 34031.1477 -149391.2432 297.2025 -183422.3909 -149296.8888 298.8019 -141.4115 -109.7254 559373.5969 1.6993 1.6317 PRESSURE: 1633600 -27.1087 97.2968 -27.744 97.2973 41.629 -3.06688 -27.744 -3.06633 9.81975 GPRESSURE: 1633600 -43.1388 136.972 -62.4466 21.5253 100.338 26.7738 24.3052 -16.9764 63.8649 PRESSAVG: 1633600 -40.9053 -13.909 -21.6824 -13.909 20.1351 27.152 -21.6823 27.1521 6.94122 GPRESSAVG: 1633600 -39.9111 -14.9207 -23.4551 -13.9154 21.4124 26.3873 -19.6214 27.7663 5.86005 TIMING: 1633600 CPU: 4737.05, 0.00289928/step Wall: 4737.05, 0.00289928/step, 2.71115 hours remaining, 208.101562 MB of memory in use. ENERGY: 1633600 731.6341 2110.1473 1948.7945 130.8594 -206391.1260 17917.3730 0.0000 0.0000 34134.8751 -149417.4426 298.1084 -183552.3177 -149321.5017 298.7232 8.1134 40.3546 556660.4539 -4.6097 -4.2129 PRESSURE: 1633800 -43.0769 37.9853 45.9413 37.9872 239.386 -70.3985 45.9414 -70.3971 -85.4332 GPRESSURE: 1633800 -34.5727 5.69166 79.1948 44.4537 284.203 -47.0521 19.4796 -99.3324 -54.1838 PRESSAVG: 1633800 -10.4538 -29.7606 -16.1517 -29.7607 6.07618 -27.0287 -16.1516 -27.0286 3.35463 GPRESSAVG: 1633800 -10.9439 -30.1237 -13.594 -29.0161 5.12335 -25.1635 -18.4294 -28.0781 4.43363 TIMING: 1633800 CPU: 4737.63, 0.00289116/step Wall: 4737.63, 0.00289116/step, 2.7034 hours remaining, 208.101562 MB of memory in use. ENERGY: 1633800 746.6123 2101.1204 1952.3720 114.5529 -206403.9946 17903.6544 0.0000 0.0000 34145.5159 -149440.1666 298.2013 -183585.6826 -149350.8971 299.0283 36.9586 65.1487 556232.5224 -0.3410 -0.4623 PRESSURE: 1634000 -72.5907 123.94 20.8339 123.941 -77.9133 23.3717 20.8339 23.3701 -34.9934 GPRESSURE: 1634000 -70.2496 -2.50222 96.7415 159.767 -53.5135 107.926 -38.8868 33.0405 10.6236 PRESSAVG: 1634000 3.63433 56.8243 -14.7447 56.8243 -38.7025 -29.1041 -14.7446 -29.104 8.36476 GPRESSAVG: 1634000 4.78715 56.0275 -13.8772 56.3562 -39.2058 -28.9497 -12.7331 -28.9354 7.09869 TIMING: 1634000 CPU: 4738.21, 0.00289847/step Wall: 4738.21, 0.00289847/step, 2.71007 hours remaining, 208.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1634000 743.4615 2092.8999 1947.5856 128.7596 -206313.1194 17637.0791 0.0000 0.0000 34173.7020 -149589.6316 298.4474 -183763.3336 -149496.8156 298.7229 -61.8325 -37.7131 557145.1199 -8.9011 -9.1067 PRESSURE: 1634200 85.7612 -19.418 -97.2529 -19.417 225.461 2.89634 -97.2523 2.8959 33.3382 GPRESSURE: 1634200 86.875 -89.4481 -101.969 31.5757 208.434 -6.17605 50.2353 -22.3907 133.308 PRESSAVG: 1634200 -2.39286 23.9521 17.7947 23.9522 46.9967 -20.4623 17.7948 -20.4622 -38.0334 GPRESSAVG: 1634200 -3.21332 25.2024 16.9867 23.7474 46.7245 -22.2004 16.6956 -20.8093 -36.5959 TIMING: 1634200 CPU: 4738.79, 0.00291381/step Wall: 4738.79, 0.00291381/step, 2.72425 hours remaining, 208.101562 MB of memory in use. ENERGY: 1634200 768.5836 2112.7419 1937.6855 107.1415 -206768.2550 18094.2433 0.0000 0.0000 34154.4949 -149593.3644 298.2797 -183747.8593 -149506.6180 298.8480 114.8535 142.8724 556489.1637 2.1901 2.3051 PRESSURE: 1634400 85.4901 81.3146 116.623 81.313 -66.5873 119.325 116.623 119.325 53.6877 GPRESSURE: 1634400 188.913 68.2628 120.064 71.4924 -65.0486 148.536 162.764 74.9979 33.7897 PRESSAVG: 1634400 14.8718 -61.954 12.6925 -61.954 -17.5937 4.78289 12.6925 4.78275 16.3194 GPRESSAVG: 1634400 16.5715 -61.2058 12.6337 -63.1979 -16.8856 5.82622 12.626 5.69043 14.3648 TIMING: 1634400 CPU: 4739.38, 0.00293445/step Wall: 4739.38, 0.00293445/step, 2.74338 hours remaining, 208.101562 MB of memory in use. ENERGY: 1634400 791.2166 2149.6510 1923.6953 108.7130 -206575.1226 17999.5036 0.0000 0.0000 34121.8782 -149480.4648 297.9948 -183602.3431 -149388.3087 298.8066 24.1968 52.5512 556166.6740 4.5325 4.6836 PRESSURE: 1634600 -109.963 -41.7949 -74.9272 -41.7946 -348.527 239.791 -74.9265 239.793 -157.796 GPRESSURE: 1634600 -82.0991 36.4275 -69.8118 -39.2136 -303.737 233.745 -83.4305 216.759 -135.827 PRESSAVG: 1634600 -0.340525 -36.3833 -12.1152 -36.3834 -44.829 23.13 -12.1153 23.13 45.2901 GPRESSAVG: 1634600 -1.78161 -35.064 -10.8534 -34.9933 -44.9159 23.1213 -12.4343 22.9995 46.6623 TIMING: 1634600 CPU: 4739.96, 0.00292244/step Wall: 4739.96, 0.00292244/step, 2.732 hours remaining, 208.101562 MB of memory in use. ENERGY: 1634600 768.9896 2083.7057 1921.5246 114.1637 -206137.3199 17462.4528 0.0000 0.0000 34276.4258 -149510.0578 299.3446 -183786.4836 -149414.8618 299.3173 -205.4288 -173.8878 556872.4927 0.0402 -0.0117 PRESSURE: 1634800 -456.899 -239.148 -61.9049 -239.148 -198.89 -116.771 -61.9052 -116.77 -34.7074 GPRESSURE: 1634800 -381.996 -136.488 -58.0239 -162.282 -210.417 -66.5422 -25.758 -117.477 5.44964 PRESSAVG: 1634800 37.0826 13.0336 8.4655 13.0337 -65.4825 37.8137 8.46551 37.8138 18.3512 GPRESSAVG: 1634800 37.0183 12.4289 7.37256 11.6883 -65.895 36.1501 8.41191 39.1257 18.6356 TIMING: 1634800 CPU: 4740.54, 0.00290132/step Wall: 4740.54, 0.00290132/step, 2.71209 hours remaining, 208.101562 MB of memory in use. ENERGY: 1634800 821.4929 2074.5847 1957.3888 114.2087 -206142.2675 17455.4449 0.0000 0.0000 34219.5132 -149499.6344 298.8475 -183719.1475 -149403.2003 298.6515 -230.1652 -195.6544 556808.2938 -3.3495 -3.4137 PRESSURE: 1635000 59.2909 12.0129 64.7751 12.0119 346.701 109.81 64.7748 109.811 21.8141 GPRESSURE: 1635000 142.996 -13.6722 65.8959 42.7486 319.792 54.1093 91.2591 135.461 47.9366 PRESSAVG: 1635000 -8.28124 -28.4967 21.8316 -28.4966 45.4858 23.8554 21.8316 23.8556 -34.8855 GPRESSAVG: 1635000 -8.19414 -29.835 20.2903 -27.3483 45.9199 24.4955 21.8973 22.5498 -35.7267 TIMING: 1635000 CPU: 4741.13, 0.00291587/step Wall: 4741.13, 0.00291587/step, 2.72553 hours remaining, 208.101562 MB of memory in use. ENERGY: 1635000 741.2095 2088.0246 1931.7821 115.2391 -206381.0008 17896.0248 0.0000 0.0000 34235.2474 -149373.4733 298.9849 -183608.7207 -149280.2036 298.6213 142.6019 170.2414 556370.6816 0.7730 0.6664 PRESSURE: 1635200 -214.478 -112.063 -35.4354 -112.063 -250.91 -148.552 -35.4341 -148.554 57.0346 GPRESSURE: 1635200 -141.095 -57.6633 -124.99 -109.741 -177.35 -219.279 -24.6415 -70.4971 19.6697 PRESSAVG: 1635200 -14.953 -2.49487 -27.1705 -2.49477 -33.9598 22.7761 -27.1706 22.7761 0.748406 GPRESSAVG: 1635200 -15.1022 -0.547013 -27.7157 -3.3866 -32.8736 22.8125 -25.3351 23.5162 0.354998 TIMING: 1635200 CPU: 4741.71, 0.00291128/step Wall: 4741.71, 0.00291128/step, 2.72108 hours remaining, 208.101562 MB of memory in use. ENERGY: 1635200 721.7153 2092.1908 1919.8219 121.5422 -205765.1789 17518.4191 0.0000 0.0000 34272.9655 -149118.5240 299.3143 -183391.4895 -149015.0144 299.0972 -136.1178 -99.5915 558022.3667 -16.0548 -15.8736 PRESSURE: 1635400 -153.669 111.818 132.523 111.819 -13.7407 -105.781 132.522 -105.782 -461.48 GPRESSURE: 1635400 -117.462 78.6328 35.8073 145.712 36.7842 -89.0802 150.572 -153.295 -450.754 PRESSAVG: 1635400 -25.035 -50.7281 -65.3577 -50.728 50.876 -0.345514 -65.3578 -0.345582 -36.825 GPRESSAVG: 1635400 -25.0281 -51.6178 -64.4349 -49.2218 50.1399 1.54962 -65.8142 -2.3378 -36.2345 TIMING: 1635400 CPU: 4742.29, 0.00290265/step Wall: 4742.29, 0.00290265/step, 2.71285 hours remaining, 208.101562 MB of memory in use. ENERGY: 1635400 742.6381 2060.4538 1947.9055 102.9001 -205698.5259 17295.0973 0.0000 0.0000 34366.8782 -149182.6529 300.1345 -183549.5311 -149077.6425 299.5898 -209.6298 -177.1439 557590.8364 -3.6613 -3.7076 PRESSURE: 1635600 -70.568 -80.4562 -44.5289 -80.4545 -6.9249 12.066 -44.5275 12.0677 -114.999 GPRESSURE: 1635600 -16.9655 -85.6652 -103.018 -67.6078 5.91679 -27.8101 -63.0469 28.5915 -75.1396 PRESSAVG: 1635600 -12.3751 -50.7618 -6.20072 -50.7619 58.8709 -21.3334 -6.20071 -21.3335 -62.803 GPRESSAVG: 1635600 -13.346 -50.8059 -6.12631 -53.3599 59.4007 -23.0611 -6.19191 -20.5653 -62.7458 TIMING: 1635600 CPU: 4742.87, 0.00290615/step Wall: 4742.87, 0.00290615/step, 2.71596 hours remaining, 208.101562 MB of memory in use. ENERGY: 1635600 747.8324 2085.9546 1945.9997 114.0510 -205795.7048 17756.1543 0.0000 0.0000 33986.4401 -149159.2728 296.8120 -183145.7129 -149066.1742 299.7109 -64.1641 -28.7295 558207.9214 -5.4357 -5.5637 PRESSURE: 1635800 -119.331 -0.912433 -15.955 -0.913989 -317.712 37.2231 -15.9552 37.2229 -43.2541 GPRESSURE: 1635800 -53.9313 68.7879 19.2216 0.0731185 -218.011 64.9813 -65.2923 -47.2338 -106.022 PRESSAVG: 1635800 -29.2733 7.04543 -48.4719 7.04543 33.3269 -32.4197 -48.4719 -32.4198 15.1713 GPRESSAVG: 1635800 -28.2631 7.25395 -48.347 9.2834 32.7751 -31.3604 -51.0992 -32.251 15.4984 TIMING: 1635800 CPU: 4743.45, 0.00291488/step Wall: 4743.45, 0.00291488/step, 2.72395 hours remaining, 208.101562 MB of memory in use. ENERGY: 1635800 747.9772 2033.0870 1950.4896 106.7676 -205741.2681 17490.9195 0.0000 0.0000 34376.6730 -149035.3542 300.2200 -183412.0273 -148934.0347 299.0853 -160.0992 -125.9880 558444.6933 6.4083 6.6701 PRESSURE: 1636000 -45.6931 -16.021 -33.8638 -16.0209 -86.9762 -84.4412 -33.8632 -84.4418 -297.117 GPRESSURE: 1636000 -15.4407 -81.657 -53.7643 46.6202 -33.1584 -88.0561 -29.1592 -41.9175 -269.203 PRESSAVG: 1636000 -48.1028 -32.4876 -0.546246 -32.4876 57.481 -11.653 -0.546172 -11.6529 -8.83105 GPRESSAVG: 1636000 -47.9421 -33.2427 1.45812 -31.2597 57.4134 -13.2891 0.0436471 -9.98168 -8.76627 TIMING: 1636000 CPU: 4744.03, 0.00288847/step Wall: 4744.03, 0.00288847/step, 2.69911 hours remaining, 208.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1636000 785.4339 2057.6698 1912.4902 107.5599 -205674.7795 17654.0487 0.0000 0.0000 34163.6267 -148993.9502 298.3594 -183157.5769 -148891.2282 299.7332 -143.2621 -105.9340 557870.4058 0.1824 0.2350 PRESSURE: 1636200 99.9414 -108.474 5.10752 -108.473 39.608 74.1386 5.10813 74.1388 74.8955 GPRESSURE: 1636200 86.1272 -186.954 60.0268 -33.7543 51.6957 38.979 -14.795 77.4131 169.55 PRESSAVG: 1636200 45.1795 -2.03812 29.4715 -2.03812 31.2313 -18.0651 29.4714 -18.0651 -34.7254 GPRESSAVG: 1636200 45.9489 -2.81967 27.5833 -2.65901 30.988 -17.8135 30.8158 -18.9235 -35.0764 TIMING: 1636200 CPU: 4744.61, 0.00287439/step Wall: 4744.61, 0.00287439/step, 2.6858 hours remaining, 208.101562 MB of memory in use. ENERGY: 1636200 731.1550 2063.1184 1914.4940 117.1657 -205948.3383 17864.6546 0.0000 0.0000 34372.2924 -148885.4582 300.1818 -183257.7506 -148790.7906 300.5344 71.4816 102.4578 556882.7964 13.8951 13.9535 LDB: ============= START OF LOAD BALANCING ============== 4747.99 LDB: ============== END OF LOAD BALANCING =============== 4747.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4747.99 LDB: ============= START OF LOAD BALANCING ============== 4748.28 LDB: Largest compute 4820 load 0.023717 is 20.1% of average load 0.117997 LDB: Average compute 0.001726 is 1.5% of average load 0.117997 LDB: TIME 4748.28 LOAD: AVG 0.117997 MAX 0.185358 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.301 MB LDB: TIME 4748.28 LOAD: AVG 0.117997 MAX 0.185358 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.305 MB LDB: TIME 4748.28 LOAD: AVG 0.117997 MAX 0.185358 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4748.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4748.29 PRESSURE: 1636400 477.764 74.0841 115.75 74.0841 81.2903 106.105 115.751 106.106 112.894 GPRESSURE: 1636400 464.747 69.1485 97.8626 83.5791 148.146 58.0814 144.727 6.8675 150.922 PRESSAVG: 1636400 29.8695 38.3548 61.338 38.3547 -90.2418 33.5906 61.3381 33.5905 21.1297 GPRESSAVG: 1636400 27.9508 39.6262 63.4825 37.4888 -88.9677 33.5333 60.7336 33.1119 21.7423 TIMING: 1636400 CPU: 4745.2, 0.00294879/step Wall: 4745.2, 0.00294879/step, 2.75516 hours remaining, 209.640625 MB of memory in use. ENERGY: 1636400 732.7927 2069.9512 1973.1483 121.8762 -206316.3137 18109.2319 0.0000 0.0000 34320.8077 -148988.5056 299.7322 -183309.3134 -148897.4348 299.8698 223.9827 254.6047 556245.9176 -13.0809 -13.0915 PRESSURE: 1636600 -96.6043 -39.3509 -55.7264 -39.3514 -18.0591 31.3672 -55.7271 31.3679 -266.31 GPRESSURE: 1636600 -11.6232 -51.8485 -77.3044 -86.3423 -43.0813 -18.3187 -31.2742 88.5243 -218.138 PRESSAVG: 1636600 82.4456 -4.78738 24.1995 -4.7874 -15.6162 -7.11473 24.1996 -7.11473 -31.2408 GPRESSAVG: 1636600 83.5465 -5.47677 21.6883 -4.15264 -17.6328 -8.99349 23.5261 -3.99602 -30.7393 TIMING: 1636600 CPU: 4745.77, 0.0028702/step Wall: 4745.77, 0.0028702/step, 2.68157 hours remaining, 209.691406 MB of memory in use. ENERGY: 1636600 760.2845 2079.7326 1948.1935 120.3267 -205709.3467 17605.9905 0.0000 0.0000 34145.1319 -149049.6869 298.1979 -183194.8189 -148949.6382 299.8849 -126.9910 -90.9475 557381.8964 11.8629 11.7248 PRESSURE: 1636800 93.5587 -16.7073 269.469 -16.7078 9.17382 7.87944 269.469 7.87793 -183.812 GPRESSURE: 1636800 83.8457 -46.96 366.121 -93.6918 34.9286 -1.31198 216.342 -2.82099 -108.065 PRESSAVG: 1636800 -11.5823 -39.3668 44.9757 -39.3668 36.8294 4.8007 44.9757 4.80074 -23.4191 GPRESSAVG: 1636800 -12.0321 -38.5445 45.3683 -40.1409 38.1955 6.93128 46.6815 2.26952 -24.5893 TIMING: 1636800 CPU: 4746.35, 0.00290231/step Wall: 4746.35, 0.00290231/step, 2.7114 hours remaining, 209.691406 MB of memory in use. ENERGY: 1636800 723.4430 2063.6276 1960.6728 129.4826 -205696.4076 17697.3193 0.0000 0.0000 34133.7294 -148988.1328 298.0983 -183121.8622 -148894.7328 299.7699 -27.0264 3.5698 558259.0082 0.6093 0.5247 PRESSURE: 1637000 -62.0468 106.809 97.6643 106.809 274.774 -82.4292 97.6647 -82.429 120.521 GPRESSURE: 1637000 -31.2429 119.171 140.807 145.095 320.022 -41.9242 75.6724 -85.7994 150.652 PRESSAVG: 1637000 -31.2216 12.0213 21.8886 12.0212 36.0661 6.35486 21.8887 6.35493 9.25436 GPRESSAVG: 1637000 -31.5551 10.6828 22.1074 14.6987 36.2202 6.55107 20.0283 6.56997 9.52361 TIMING: 1637000 CPU: 4746.93, 0.00290233/step Wall: 4746.93, 0.00290233/step, 2.71126 hours remaining, 209.691406 MB of memory in use. ENERGY: 1637000 775.6388 2075.1833 1930.9845 104.4615 -206510.4926 18312.4349 0.0000 0.0000 34267.9775 -149043.8122 299.2708 -183311.7897 -148947.5792 299.8538 111.0826 146.4771 558707.6958 4.6996 4.7296 PRESSURE: 1637200 -12.313 44.3831 -110.673 44.384 263.479 8.29166 -110.673 8.29142 63.2233 GPRESSURE: 1637200 -6.67754 59.6466 -204.515 11.1991 279.556 -141.733 -46.7811 47.7579 144.984 PRESSAVG: 1637200 -65.4015 38.9186 19.5202 38.9187 22.8778 -10.1895 19.5202 -10.1896 24.7635 GPRESSAVG: 1637200 -64.7685 38.565 18.3273 36.587 22.7446 -11.324 20.3811 -9.90204 24.5976 TIMING: 1637200 CPU: 4747.51, 0.00288085/step Wall: 4747.51, 0.00288085/step, 2.69103 hours remaining, 209.691406 MB of memory in use. ENERGY: 1637200 727.7810 2085.6344 1948.5769 120.8679 -206132.1297 17823.6169 0.0000 0.0000 34496.3113 -148929.3412 301.2649 -183425.6526 -148832.5221 299.1062 104.7964 139.2877 558363.3738 -5.9201 -5.8088 PRESSURE: 1637400 -118.817 -71.7626 -141.759 -71.7626 -110.533 -99.9242 -141.76 -99.9249 -133.227 GPRESSURE: 1637400 -121.365 -39.1774 -148.492 -57.8876 -45.4328 -65.9225 -175.656 -179.594 -85.6567 PRESSAVG: 1637400 -26.0465 58.2745 -4.76089 58.2746 38.3421 2.36497 -4.76082 2.36499 0.87465 GPRESSAVG: 1637400 -26.8001 57.8493 -1.98493 59.5832 38.2334 2.97355 -6.0107 2.59816 1.87616 TIMING: 1637400 CPU: 4748.09, 0.00289826/step Wall: 4748.09, 0.00289826/step, 2.70714 hours remaining, 209.691406 MB of memory in use. ENERGY: 1637400 747.6018 2025.9272 1961.9531 121.3309 -206088.3202 17734.0073 0.0000 0.0000 34457.7251 -149039.7747 300.9279 -183497.4998 -148941.9019 300.4809 -120.8592 -84.1516 557057.9454 4.3901 4.4365 PRESSURE: 1637600 -23.2958 73.1704 165.081 73.1708 -18.7972 -53.3682 165.081 -53.3688 -230.994 GPRESSURE: 1637600 29.1379 27.9609 100.375 94.1008 20.7156 -3.82168 154.31 -75.6056 -225.464 PRESSAVG: 1637600 -50.1865 -31.1871 -7.00973 -31.187 18.5896 -21.5875 -7.00968 -21.5876 25.7352 GPRESSAVG: 1637600 -48.9655 -31.4699 -9.70754 -33.468 17.1536 -22.5921 -4.85391 -21.3459 25.75 TIMING: 1637600 CPU: 4748.67, 0.00289888/step Wall: 4748.67, 0.00289888/step, 2.70755 hours remaining, 209.691406 MB of memory in use. ENERGY: 1637600 771.2296 2084.2931 1913.1678 117.0677 -206364.4311 17892.3656 0.0000 0.0000 34436.4696 -149149.8377 300.7423 -183586.3073 -149052.2179 300.2829 -91.0290 -58.5370 557418.5133 -1.9539 -2.0206 PRESSURE: 1637800 18.707 79.0598 154.284 79.0592 -22.078 36.9964 154.284 36.9961 -58.8498 GPRESSURE: 1637800 99.2825 -29.5529 93.7334 155.772 -25.5129 24.7926 119.234 81.1514 -34.6369 PRESSAVG: 1637800 -9.87409 20.0051 7.90963 20.005 -81.7484 10.481 7.90955 10.4809 63.4261 GPRESSAVG: 1637800 -10.6105 19.7531 6.48005 20.1015 -80.7836 11.4852 6.09938 9.3091 62.8167 TIMING: 1637800 CPU: 4749.25, 0.00290532/step Wall: 4749.25, 0.00290532/step, 2.7134 hours remaining, 209.691406 MB of memory in use. ENERGY: 1637800 780.6888 2012.3145 1942.5446 108.9917 -206006.5428 17880.9120 0.0000 0.0000 34081.0448 -149200.0462 297.6382 -183281.0911 -149107.1415 299.7140 -20.7403 13.0442 559422.7891 -9.3988 -9.5258 PRESSURE: 1638000 -179.36 105.458 112.998 105.459 -207.563 16.7292 112.996 16.7301 -71.6705 GPRESSURE: 1638000 -160.379 58.0158 50.7124 128.746 -152.061 -5.6878 129.113 18.3616 -60.7933 PRESSAVG: 1638000 67.576 10.0277 -60.0143 10.0276 13.8113 34.2783 -60.0144 34.2784 -56.5041 GPRESSAVG: 1638000 68.4887 9.92794 -57.8 10.8261 14.4812 34.7801 -59.8949 34.9335 -58.085 TIMING: 1638000 CPU: 4749.83, 0.0029379/step Wall: 4749.83, 0.0029379/step, 2.74367 hours remaining, 209.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1638000 800.2593 2119.8632 1936.9131 116.6573 -206204.2969 17577.2934 0.0000 0.0000 34254.0243 -149399.2864 299.1489 -183653.3107 -149310.3289 299.2892 -152.8644 -124.4112 555400.6774 8.2944 8.2949 PRESSURE: 1638200 -64.8553 32.2395 -3.83645 32.2391 -145.873 39.6936 -3.83541 39.6923 -109.013 GPRESSURE: 1638200 -15.6876 -9.88455 68.586 30.3588 -100.236 25.8115 -90.12 -16.3534 -100.803 PRESSAVG: 1638200 7.31914 -38.6378 71.1765 -38.6378 -17.4549 21.784 71.1765 21.784 -12.1407 GPRESSAVG: 1638200 7.58008 -38.0557 71.1357 -39.4925 -18.8114 22.0699 70.9497 20.3199 -10.8997 TIMING: 1638200 CPU: 4750.42, 0.00293449/step Wall: 4750.42, 0.00293449/step, 2.74032 hours remaining, 209.691406 MB of memory in use. ENERGY: 1638200 728.4766 2111.4299 1953.6509 103.0469 -206064.0753 17633.3024 0.0000 0.0000 34181.9442 -149352.2243 298.5194 -183534.1686 -149258.6591 298.4112 -106.5802 -72.2423 558147.2057 -7.4255 -7.3770 PRESSURE: 1638400 -121.843 -113.742 107.95 -113.743 -378.01 166.694 107.951 166.694 -89.3995 GPRESSURE: 1638400 -110.499 -167.603 81.7821 -91.3999 -349.191 191.916 130.465 99.6799 -31.7868 PRESSAVG: 1638400 -33.0973 -26.7103 -3.68085 -26.7102 -42.2129 -14.0845 -3.68081 -14.0844 98.1761 GPRESSAVG: 1638400 -34.438 -26.7442 -5.44591 -26.7891 -41.697 -15.6095 -3.27398 -13.0729 99.1171 TIMING: 1638400 CPU: 4751, 0.0029083/step Wall: 4751, 0.0029083/step, 2.7157 hours remaining, 209.691406 MB of memory in use. ENERGY: 1638400 760.9726 2079.0894 1935.7223 122.7718 -206144.4642 17528.8494 0.0000 0.0000 34220.9417 -149496.1171 298.8600 -183717.0588 -149397.2270 298.4573 -196.4175 -163.8255 558351.8629 7.6220 7.6607 PRESSURE: 1638600 -433.096 -68.2758 -311.488 -68.2766 -419.674 198.933 -311.488 198.934 -366.596 GPRESSURE: 1638600 -428.211 -30.0588 -235.759 -108.385 -414.823 216.768 -316.238 198.486 -285.741 PRESSAVG: 1638600 5.71651 -3.91052 -37.2777 -3.91053 -52.9066 10.8558 -37.2777 10.8558 20.5828 GPRESSAVG: 1638600 6.11638 -4.74351 -35.4552 -3.37203 -53.3492 12.1422 -35.3931 13.2125 20.6046 TIMING: 1638600 CPU: 4751.59, 0.00291214/step Wall: 4751.59, 0.00291214/step, 2.71913 hours remaining, 209.691406 MB of memory in use. ENERGY: 1638600 771.5450 2066.5815 1968.0130 113.9352 -205801.6046 17265.2120 0.0000 0.0000 34324.8677 -149291.4503 299.7676 -183616.3179 -149197.2587 299.2514 -406.4556 -376.2584 558810.0683 -8.8691 -8.8761 PRESSURE: 1638800 -124.055 100.084 -39.0163 100.085 32.8472 -36.3776 -39.0168 -36.3776 -63.6663 GPRESSURE: 1638800 -58.9855 62.1072 64.0813 69.3379 66.4685 -31.3583 -65.2131 51.7819 -61.2917 PRESSAVG: 1638800 -4.97414 -22.2515 24.0272 -22.2516 29.8469 26.498 24.0271 26.498 -40.9317 GPRESSAVG: 1638800 -4.186 -21.2948 22.4193 -21.8629 29.7531 26.5159 23.9156 24.5274 -40.8497 TIMING: 1638800 CPU: 4752.16, 0.00289518/step Wall: 4752.16, 0.00289518/step, 2.70313 hours remaining, 209.691406 MB of memory in use. ENERGY: 1638800 772.7403 2096.7327 1937.5507 110.4396 -206510.7817 18030.8279 0.0000 0.0000 34115.3266 -149447.1639 297.9376 -183562.4905 -149347.9533 298.4712 -51.6248 -17.9362 558874.8153 -5.3530 -5.0942 PRESSURE: 1639000 200.461 -27.1911 11.2485 -27.1896 107.733 -77.8063 11.249 -77.8061 -253.725 GPRESSURE: 1639000 187.778 52.8307 92.5004 -104.154 155.438 0.694944 19.7431 -117.945 -199.121 PRESSAVG: 1639000 -35.6445 -55.3448 37.3329 -55.3449 42.227 11.9753 37.3329 11.9754 11.142 GPRESSAVG: 1639000 -36.8711 -55.9546 37.9684 -56.1266 43.5863 14.9427 37.686 10.8553 10.47 TIMING: 1639000 CPU: 4752.74, 0.00289329/step Wall: 4752.74, 0.00289329/step, 2.70121 hours remaining, 209.691406 MB of memory in use. ENERGY: 1639000 736.3484 2121.4543 1945.4887 111.7619 -206400.1506 18000.8471 0.0000 0.0000 34100.4319 -149383.8182 297.8076 -183484.2501 -149286.7639 298.2039 18.1565 48.0319 557696.9109 5.9082 5.7284 PRESSURE: 1639200 -290.85 133.674 39.161 133.675 -149.83 8.29922 39.1617 8.29904 -27.625 GPRESSURE: 1639200 -312.442 136.871 61.2636 148.528 -92.4156 52.224 108.105 -51.2972 25.9416 PRESSAVG: 1639200 23.0494 13.8346 19.673 13.8347 40.2905 -6.08647 19.6731 -6.08637 -20.6774 GPRESSAVG: 1639200 22.2381 16.3475 21.133 12.8562 40.4208 -10.7796 18.0676 -4.99147 -19.7618 TIMING: 1639200 CPU: 4753.32, 0.00290955/step Wall: 4753.32, 0.00290955/step, 2.71623 hours remaining, 209.691406 MB of memory in use. ENERGY: 1639200 770.9794 2091.4605 1953.0660 110.0029 -206289.6798 17802.4759 0.0000 0.0000 34215.3057 -149346.3893 298.8108 -183561.6950 -149249.2694 298.8423 -156.1014 -126.3052 557049.8105 14.2208 14.2990 PRESSURE: 1639400 -56.3527 20.3919 -32.4381 20.3913 -9.73693 -134.314 -32.4369 -134.314 -68.2732 GPRESSURE: 1639400 -17.735 -42.216 57.6128 103.873 58.4309 -110.865 -79.0086 -142.703 -61.5945 PRESSAVG: 1639400 -65.005 2.56197 32.0891 2.56192 -8.67375 -1.73613 32.0892 -1.73608 35.5667 GPRESSAVG: 1639400 -62.2337 1.14133 31.1692 3.08573 -9.66388 0.118892 33.4918 -2.72091 33.8762 TIMING: 1639400 CPU: 4753.91, 0.00290901/step Wall: 4753.91, 0.00290901/step, 2.71557 hours remaining, 209.691406 MB of memory in use. ENERGY: 1639400 744.8372 2081.0112 1957.4350 104.5147 -206423.8173 17891.1427 0.0000 0.0000 34197.4878 -149447.3887 298.6552 -183644.8765 -149347.2278 298.6100 -44.7876 -6.9662 557794.5909 -12.7040 -12.6738 PRESSURE: 1639600 -113.381 -147.521 47.0558 -147.521 -114.315 95.9927 47.0564 95.9916 2.88678 GPRESSURE: 1639600 -95.5848 -218.436 49.8579 -126.439 -80.2206 28.0252 13.4948 108.683 39.7494 PRESSAVG: 1639600 -14.8913 -0.0175153 10.2863 -0.0174651 36.7645 47.3248 10.2863 47.3248 -32.9872 GPRESSAVG: 1639600 -15.755 0.151876 10.9348 1.30356 35.7758 46.8884 8.53643 49.1494 -31.0045 TIMING: 1639600 CPU: 4754.49, 0.00289743/step Wall: 4754.49, 0.00289743/step, 2.70459 hours remaining, 209.691406 MB of memory in use. ENERGY: 1639600 738.1745 2097.4993 1946.6067 113.2378 -206048.4301 17657.0091 0.0000 0.0000 33931.1641 -149564.7386 296.3293 -183495.9028 -149472.5876 298.2842 -74.9365 -45.3520 556755.3685 -3.7047 -3.6612 PRESSURE: 1639800 -230.714 -61.2965 -36.217 -61.2965 37.658 165.542 -36.2171 165.541 -273.834 GPRESSURE: 1639800 -244.532 -121.44 51.4562 -26.4692 76.5841 115.54 -112.822 85.7061 -212.762 PRESSAVG: 1639800 10.5446 31.2911 14.4811 31.2912 67.1642 2.78694 14.4811 2.78699 -31.5861 GPRESSAVG: 1639800 10.1849 33.4993 13.7572 29.7002 67.6996 1.26576 15.9131 2.60961 -32.3074 TIMING: 1639800 CPU: 4755.06, 0.00287888/step Wall: 4755.06, 0.00287888/step, 2.68711 hours remaining, 209.691406 MB of memory in use. ENERGY: 1639800 789.3683 2059.2076 1972.4597 115.3236 -205962.6096 17514.5786 0.0000 0.0000 34065.9304 -149445.7414 297.5062 -183511.6718 -149348.0881 298.5548 -155.6302 -126.9031 555620.4533 15.3742 15.1924 PRESSURE: 1640000 -180.742 -22.3393 -100.912 -22.339 -501.511 29.306 -100.914 29.3062 -145.111 GPRESSURE: 1640000 -136.005 -109.34 -117.865 -14.8339 -418.547 -6.00336 -5.28881 42.2123 -165.543 PRESSAVG: 1640000 -26.2872 47.3609 -13.7464 47.361 32.5168 -3.6597 -13.7464 -3.65977 4.05813 GPRESSAVG: 1640000 -25.7557 45.2331 -13.8071 50.359 32.6692 0.0733997 -13.6775 -6.36325 3.87551 TIMING: 1640000 CPU: 4755.64, 0.00289838/step Wall: 4755.64, 0.00289838/step, 2.70515 hours remaining, 209.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1640000 736.6195 2064.9968 1956.8755 114.0201 -205891.2469 17396.5400 0.0000 0.0000 34349.0104 -149273.1846 299.9785 -183622.1950 -149181.2553 298.6287 -275.7879 -240.0316 556290.0465 3.4293 3.5963 PRESSURE: 1640200 -157.399 80.6898 31.5411 80.69 29.6698 170.207 31.5421 170.208 -209.314 GPRESSURE: 1640200 -102.029 88.977 21.9205 85.914 69.9331 182.039 -3.12754 169.063 -220.447 PRESSAVG: 1640200 -52.023 -37.8652 35.176 -37.8653 8.70728 49.622 35.176 49.6218 33.1304 GPRESSAVG: 1640200 -51.9965 -37.2121 37.2343 -40.3603 8.93369 47.7929 32.1091 52.4065 32.4528 TIMING: 1640200 CPU: 4756.22, 0.00288317/step Wall: 4756.22, 0.00288317/step, 2.6908 hours remaining, 209.691406 MB of memory in use. ENERGY: 1640200 746.5539 2105.8573 1963.3319 125.0217 -205605.7650 17600.7551 0.0000 0.0000 33922.2764 -149141.9688 296.2517 -183064.2452 -149054.9298 299.4247 -112.3478 -84.1809 556376.3257 -3.3951 -3.5367 LDB: ============= START OF LOAD BALANCING ============== 4759.6 LDB: ============== END OF LOAD BALANCING =============== 4759.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4759.61 LDB: ============= START OF LOAD BALANCING ============== 4759.89 LDB: Largest compute 4820 load 0.022259 is 18.9% of average load 0.117992 LDB: Average compute 0.001719 is 1.5% of average load 0.117992 LDB: TIME 4759.9 LOAD: AVG 0.117992 MAX 0.181053 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.074 MB LDB: TIME 4759.9 LOAD: AVG 0.117992 MAX 0.181053 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.074 MB LDB: TIME 4759.9 LOAD: AVG 0.117992 MAX 0.181053 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4759.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4759.9 PRESSURE: 1640400 86.2794 -52.393 143.866 -52.3934 -337.611 -71.7717 143.866 -71.7712 89.2676 GPRESSURE: 1640400 152.759 -63.3626 138.574 -44.3602 -309.902 -73.4089 129.15 -39.9578 90.2921 PRESSAVG: 1640400 -18.004 9.32032 16.0576 9.32037 -10.3676 49.6855 16.0578 49.6855 0.608471 GPRESSAVG: 1640400 -18.2285 7.60962 14.4167 8.86375 -10.0303 49.1981 19.2669 50.9626 0.313809 TIMING: 1640400 CPU: 4756.81, 0.00294154/step Wall: 4756.81, 0.00294154/step, 2.74511 hours remaining, 209.109375 MB of memory in use. ENERGY: 1640400 778.9640 2043.5790 1967.6832 116.7897 -205668.1599 17662.7393 0.0000 0.0000 34008.6042 -149089.8004 297.0056 -183098.4046 -148992.8477 299.2946 -54.0213 -22.2836 556592.3135 -9.2544 -9.3150 PRESSURE: 1640600 -179.532 3.74375 329.475 3.74477 121.992 14.8882 329.475 14.8875 21.178 GPRESSURE: 1640600 -179.615 -41.3399 354.916 -19.2689 158.646 46.8998 330.089 60.5601 90.5965 PRESSAVG: 1640600 -22.9186 23.6014 44.9483 23.6015 18.6421 24.9623 44.9483 24.9622 -11.3051 GPRESSAVG: 1640600 -24.4499 24.3791 43.6274 25.1076 18.3885 25.7087 47.2459 23.0958 -8.74812 TIMING: 1640600 CPU: 4757.39, 0.00289348/step Wall: 4757.39, 0.00289348/step, 2.7001 hours remaining, 209.351562 MB of memory in use. ENERGY: 1640600 749.3604 2101.0340 1979.2081 105.5377 -206111.7357 17828.9508 0.0000 0.0000 34315.8163 -149031.8285 299.6886 -183347.6447 -148938.6467 299.8531 -12.1206 23.2091 555949.8783 -5.1939 -4.9365 PRESSURE: 1640800 34.9994 11.46 -110.262 11.4596 9.34694 151.931 -110.262 151.931 -207.146 GPRESSURE: 1640800 53.1306 44.5005 -85.5325 10.1234 72.518 154.825 -122.086 38.1037 -184.578 PRESSAVG: 1640800 -11.0402 -3.52068 12.724 -3.52067 32.0468 53.5384 12.7241 53.5383 -14.4992 GPRESSAVG: 1640800 -10.0937 -2.47033 15.1685 -6.22193 31.5575 53.0295 10.4001 52.3944 -15.3921 TIMING: 1640800 CPU: 4757.96, 0.00289638/step Wall: 4757.96, 0.00289638/step, 2.70264 hours remaining, 209.351562 MB of memory in use. ENERGY: 1640800 746.8331 2074.8600 1948.2377 112.0400 -205944.0146 17731.0541 0.0000 0.0000 34430.1572 -148900.8324 300.6871 -183330.9896 -148796.0307 300.3902 -54.2666 -19.6432 558050.4207 2.1691 2.0239 PRESSURE: 1641000 -337.778 -101.016 96.3843 -101.016 -280.639 129.791 96.3847 129.792 -156.693 GPRESSURE: 1641000 -296.512 -91.2183 15.0478 -116.845 -230.38 107.695 213.023 114.498 -162.059 PRESSAVG: 1641000 8.13643 -1.87553 14.4361 -1.87544 -27.9419 24.3095 14.4362 24.3094 11.4117 GPRESSAVG: 1641000 8.95158 -4.58747 12.4942 1.77403 -27.6018 24.2453 15.9707 23.5395 10.4314 TIMING: 1641000 CPU: 4758.54, 0.0028761/step Wall: 4758.54, 0.0028761/step, 2.68356 hours remaining, 209.351562 MB of memory in use. ENERGY: 1641000 758.4134 2088.6776 1945.5577 111.5329 -205548.4350 17554.4021 0.0000 0.0000 34245.8847 -148843.9666 299.0778 -183089.8513 -148749.7906 299.6652 -258.3701 -229.6505 559067.0708 -2.7979 -2.7396 PRESSURE: 1641200 -88.934 -52.3633 58.0731 -52.3642 18.3424 116.359 58.0726 116.359 -31.4684 GPRESSURE: 1641200 -77.8312 -97.5601 102.65 -50.519 52.5837 82.2388 84.609 129.808 -8.2501 PRESSAVG: 1641200 74.7245 -1.97661 -0.624268 -1.97659 -68.7869 -7.99839 -0.624198 -7.99838 21.1763 GPRESSAVG: 1641200 75.4362 2.07188 1.00435 -5.24616 -69.4123 -8.30135 -1.77273 -6.8406 21.2659 TIMING: 1641200 CPU: 4759.11, 0.00287258/step Wall: 4759.11, 0.00287258/step, 2.68011 hours remaining, 209.351562 MB of memory in use. ENERGY: 1641200 785.8933 2084.8915 1946.5162 116.7584 -206129.4774 17889.0457 0.0000 0.0000 34517.4385 -148788.9340 301.4494 -183306.3724 -148695.4971 300.3695 -34.0200 -11.1659 558752.1240 9.0380 9.0966 PRESSURE: 1641400 -132.176 69.459 -30.5629 69.4589 172.639 -139.002 -30.5631 -139.004 73.0974 GPRESSURE: 1641400 -96.6072 36.0315 -45.6566 104.188 229.887 -146.767 -52.5533 -139.094 69.2293 PRESSAVG: 1641400 33.3063 -38.1531 19.5849 -38.1532 -10.2579 -45.7059 19.5849 -45.7061 1.60311 GPRESSAVG: 1641400 32.586 -40.7265 20.3249 -35.7686 -9.32197 -44.6195 18.554 -45.6795 1.67499 TIMING: 1641400 CPU: 4759.69, 0.00289582/step Wall: 4759.69, 0.00289582/step, 2.70164 hours remaining, 209.351562 MB of memory in use. ENERGY: 1641400 768.0311 2099.0775 1965.3517 130.7998 -206315.2414 18066.2499 0.0000 0.0000 34358.3534 -148927.3779 300.0600 -183285.7313 -148836.0559 299.9915 37.8535 67.5031 558077.3800 8.2171 8.3130 PRESSURE: 1641600 133.619 -63.0803 -10.6341 -63.081 360.961 -103.708 -10.6341 -103.708 -105.374 GPRESSURE: 1641600 185.752 -125.199 -29.6735 -7.0912 386.328 -162.519 7.17058 -106.716 -87.7428 PRESSAVG: 1641600 -89.819 -16.7327 25.1519 -16.7328 43.7153 -31.5014 25.1518 -31.5015 28.2495 GPRESSAVG: 1641600 -89.9349 -16.7758 23.9813 -19.1694 43.6925 -32.761 27.2518 -31.6159 28.7447 TIMING: 1641600 CPU: 4760.28, 0.00292538/step Wall: 4760.28, 0.00292538/step, 2.72905 hours remaining, 209.351562 MB of memory in use. ENERGY: 1641600 724.8817 2116.2468 1950.6257 126.3293 -206187.8474 17886.5942 0.0000 0.0000 34587.7770 -148795.3927 302.0637 -183383.1697 -148705.4027 300.4590 129.7355 161.4457 555973.5276 -5.9514 -5.8326 PRESSURE: 1641800 -217.42 21.7732 -0.728815 21.7738 -213.651 166.15 -0.728197 166.151 -160.488 GPRESSURE: 1641800 -141.494 25.4301 -26.7839 24.3365 -185.658 111.018 -79.2273 107.708 -175.806 PRESSAVG: 1641800 -37.0415 -15.0623 9.82017 -15.0623 50.1699 10.8482 9.82017 10.8482 12.9622 GPRESSAVG: 1641800 -37.4315 -14.557 8.71769 -14.7783 49.861 12.5196 9.77855 10.4176 13.38 TIMING: 1641800 CPU: 4760.86, 0.0029135/step Wall: 4760.86, 0.0029135/step, 2.71781 hours remaining, 209.613281 MB of memory in use. ENERGY: 1641800 777.0804 2073.4118 1944.9961 107.9254 -205408.3543 17342.2216 0.0000 0.0000 34315.8436 -148846.8754 299.6888 -183162.7191 -148746.5913 301.0463 -197.1862 -167.6525 558267.1911 8.6969 8.6031 PRESSURE: 1642000 48.6404 -110.948 -34.4416 -110.949 -328.59 209.05 -34.4419 209.05 -76.7011 GPRESSURE: 1642000 78.9737 -120.312 0.338744 -108.686 -291.178 94.8721 -104.992 215.096 -47.8091 PRESSAVG: 1642000 3.64883 27.7506 -17.0161 27.7507 -13.918 67.6196 -17.0161 67.6196 -1.60073 GPRESSAVG: 1642000 4.62555 26.9588 -15.2556 28.8259 -14.1296 66.5008 -17.0732 67.0438 -2.09933 TIMING: 1642000 CPU: 4761.44, 0.00290539/step Wall: 4761.44, 0.00290539/step, 2.71008 hours remaining, 209.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1642000 742.1051 2107.2726 1941.9424 112.3519 -205753.1454 17661.4028 0.0000 0.0000 34410.6993 -148777.3713 300.5172 -183188.0706 -148682.1642 300.0337 -118.8837 -86.6712 557285.1134 -3.9566 -3.8678 PRESSURE: 1642200 -215.978 167.239 16.3101 167.239 -86.6756 -83.4229 16.3095 -83.4239 182.18 GPRESSURE: 1642200 -173.685 113.202 -51.4011 84.1333 -24.1006 -92.8257 60.4471 -92.7268 179.544 PRESSAVG: 1642200 41.626 3.74064 16.6329 3.74065 4.66413 -27.9167 16.6329 -27.9167 -13.6682 GPRESSAVG: 1642200 41.5582 6.49583 16.0218 0.533098 4.46175 -27.4571 16.4901 -28.5836 -13.8033 TIMING: 1642200 CPU: 4762.02, 0.00289582/step Wall: 4762.02, 0.00289582/step, 2.701 hours remaining, 209.613281 MB of memory in use. ENERGY: 1642200 729.9032 2039.8577 1952.6272 121.4705 -205534.5587 17555.5211 0.0000 0.0000 34338.6736 -148796.5054 299.8882 -183135.1790 -148700.5619 301.1243 -40.1576 -6.0803 558156.3409 10.8740 10.7389 PRESSURE: 1642400 238.787 -95.1452 13.9428 -95.1466 255.23 -34.2297 13.9424 -34.2274 177.026 GPRESSURE: 1642400 221.991 -60.2927 42.2546 -98.7167 367.94 -72.2196 84.8189 0.64727 173.997 PRESSAVG: 1642400 -43.9607 -21.9936 -41.244 -21.9935 11.692 -27.8004 -41.2441 -27.8003 19.7022 GPRESSAVG: 1642400 -44.3763 -24.1556 -39.3181 -19.8424 11.588 -27.2393 -43.2591 -26.2379 20.4066 TIMING: 1642400 CPU: 4762.6, 0.00290242/step Wall: 4762.6, 0.00290242/step, 2.70699 hours remaining, 209.613281 MB of memory in use. ENERGY: 1642400 753.2783 2069.0779 1969.0851 109.9376 -205956.0660 17976.1122 0.0000 0.0000 34390.0980 -148688.4770 300.3373 -183078.5750 -148596.8797 301.1678 223.6810 254.6426 557024.8118 -4.1889 -4.1273 PRESSURE: 1642600 -226.478 6.20004 -22.3175 6.19942 -122.002 -119.555 -22.318 -119.556 -202.519 GPRESSURE: 1642600 -196.522 42.1917 -28.2195 -44.4192 -111.933 -135.43 -57.7866 -170.173 -143.99 PRESSAVG: 1642600 -57.7159 -24.7439 -1.79167 -24.7438 3.64743 22.2621 -1.7917 22.2621 35.2679 GPRESSAVG: 1642600 -58.1688 -24.3065 -4.18989 -24.2693 4.00788 21.1023 -0.494061 21.629 34.8216 TIMING: 1642600 CPU: 4763.18, 0.00290885/step Wall: 4763.18, 0.00290885/step, 2.71283 hours remaining, 209.613281 MB of memory in use. ENERGY: 1642600 781.7980 2086.5625 1944.5360 99.9231 -205449.4550 17377.5881 0.0000 0.0000 34478.5875 -148680.4597 301.1101 -183159.0472 -148579.6176 300.8113 -183.6664 -150.8148 558213.8255 -6.2669 -6.4464 PRESSURE: 1642800 234.245 202.012 50.1215 202.009 286.841 41.7237 50.1213 41.7252 -5.8547 GPRESSURE: 1642800 248.436 104.44 -71.3137 255.547 305.239 96.5516 145.118 51.7783 57.9669 PRESSAVG: 1642800 87.7801 30.5047 -43.8812 30.5047 -4.41807 19.1053 -43.8812 19.1054 -110.859 GPRESSAVG: 1642800 88.9054 30.4469 -42.2598 29.4299 -5.98332 18.6306 -43.7079 20.2127 -110.268 TIMING: 1642800 CPU: 4763.76, 0.0029064/step Wall: 4763.76, 0.0029064/step, 2.71038 hours remaining, 209.613281 MB of memory in use. ENERGY: 1642800 745.7014 2071.3668 1928.0228 108.6531 -206198.4926 18255.3895 0.0000 0.0000 34364.7009 -148724.6581 300.1155 -183089.3590 -148633.3501 300.7762 171.7436 203.8806 557317.9584 -9.1657 -9.1152 PRESSURE: 1643000 -46.8779 19.0212 110.276 19.0222 -134.224 -115.092 110.274 -115.093 44.1313 GPRESSURE: 1643000 -70.7958 37.8635 25.3827 89.6472 -59.4541 -24.6913 124.276 -180.33 75.4938 PRESSAVG: 1643000 15.3903 2.15908 42.7119 2.15903 31.383 -26.6708 42.7119 -26.6708 -56.3518 GPRESSAVG: 1643000 14.3224 1.80451 42.218 3.85428 32.736 -25.4824 43.3016 -28.7851 -56.3906 TIMING: 1643000 CPU: 4764.34, 0.00288385/step Wall: 4764.34, 0.00288385/step, 2.68919 hours remaining, 209.613281 MB of memory in use. ENERGY: 1643000 790.3357 2093.5205 1947.1051 112.1755 -205733.6537 17767.5986 0.0000 0.0000 34352.2305 -148670.6878 300.0066 -183022.9183 -148567.9733 300.7145 -45.6569 -18.2520 558135.1574 -3.1928 -3.1107 PRESSURE: 1643200 23.0464 -24.2156 158.654 -24.2175 -257.869 -35.2212 158.654 -35.2202 -147.112 GPRESSURE: 1643200 34.4153 -9.82288 210.498 -72.3517 -209.634 -53.2603 134.542 -7.27003 -101.457 PRESSAVG: 1643200 6.14336 -34.2749 39.7126 -34.2749 -75.2402 -34.6142 39.7127 -34.6142 39.3204 GPRESSAVG: 1643200 6.68557 -34.7032 38.5443 -35.6002 -75.6226 -35.3589 40.6489 -35.2332 38.9432 TIMING: 1643200 CPU: 4764.92, 0.00287424/step Wall: 4764.92, 0.00287424/step, 2.68007 hours remaining, 209.613281 MB of memory in use. ENERGY: 1643200 729.8070 2081.0520 1945.9352 119.4270 -205426.1162 17477.1182 0.0000 0.0000 34424.7834 -148647.9935 300.6402 -183072.7768 -148546.3433 300.8461 -127.3117 -92.2252 557237.2956 -9.9255 -9.9979 PRESSURE: 1643400 123.821 143.303 -22.9774 143.303 88.7438 -103.079 -22.9763 -103.079 285.092 GPRESSURE: 1643400 168.753 173.093 51.2586 228.405 176.812 -91.6862 -60.4966 -76.1259 239.892 PRESSAVG: 1643400 67.7231 13.2822 27.8535 13.2822 -60.127 7.54667 27.8534 7.54677 0.217208 GPRESSAVG: 1643400 67.5784 14.7739 30.5294 13.4511 -59.9514 6.81479 27.7063 7.21948 0.413264 TIMING: 1643400 CPU: 4765.49, 0.00288124/step Wall: 4765.49, 0.00288124/step, 2.68644 hours remaining, 209.613281 MB of memory in use. ENERGY: 1643400 765.8073 2086.1601 1950.4657 111.5804 -206029.4816 18101.3127 0.0000 0.0000 34306.9954 -148707.1599 299.6115 -183014.1553 -148620.5633 300.7050 165.8854 195.1525 557933.9175 2.6044 2.6801 PRESSURE: 1643600 58.4155 14.2554 39.105 14.256 53.5963 -8.50125 39.1039 -8.50182 -0.0509522 GPRESSURE: 1643600 84.0878 28.5 19.4248 21.0058 99.823 -25.3316 62.1573 -40.3546 31.2575 PRESSAVG: 1643600 -54.1546 12.7492 12.1523 12.7492 53.541 -13.5472 12.1522 -13.5471 3.34539 GPRESSAVG: 1643600 -54.7304 12.6381 10.0933 11.4368 53.0912 -13.8831 14.2003 -11.7752 4.18538 TIMING: 1643600 CPU: 4766.07, 0.0028872/step Wall: 4766.07, 0.0028872/step, 2.69183 hours remaining, 209.613281 MB of memory in use. ENERGY: 1643600 742.9752 2061.5502 1955.7621 121.8350 -205901.8253 17696.2346 0.0000 0.0000 34465.3920 -148858.0762 300.9948 -183323.4682 -148757.5579 299.9443 37.3203 71.7227 557215.3045 0.9106 0.8487 PRESSURE: 1643800 5.52272 50.5324 125.305 50.5333 -22.8939 168.606 125.305 168.605 -99.9512 GPRESSURE: 1643800 49.7375 54.6409 30.3589 54.4522 -21.4794 111.962 162.83 212.966 -48.7256 PRESSAVG: 1643800 58.3818 20.0425 30.9709 20.0425 40.1476 28.6479 30.9709 28.6478 -9.83695 GPRESSAVG: 1643800 58.3843 17.9501 29.6166 24.3845 41.1989 29.8325 30.1208 26.8846 -10.8387 TIMING: 1643800 CPU: 4766.65, 0.002904/step Wall: 4766.65, 0.002904/step, 2.70733 hours remaining, 209.613281 MB of memory in use. ENERGY: 1643800 746.4012 2075.9125 1967.0099 112.1746 -206051.8888 17708.7722 0.0000 0.0000 34541.5443 -148900.0742 301.6599 -183441.6185 -148804.3428 300.4989 -39.1074 -6.8225 557283.2967 29.5641 29.5815 PRESSURE: 1644000 426.433 -29.8682 -9.79353 -29.8694 21.9572 -106.613 -9.79379 -106.613 -210.962 GPRESSURE: 1644000 456.571 -139.894 -72.6484 -34.263 57.0997 -201.336 -13.0917 -56.3772 -182.304 PRESSAVG: 1644000 -25.6695 11.3812 -45.0602 11.3812 -8.12162 40.1625 -45.0603 40.1625 8.83774 GPRESSAVG: 1644000 -25.0075 14.5168 -42.6293 6.79622 -8.70389 40.3555 -47.9906 41.2439 8.6633 TIMING: 1644000 CPU: 4767.23, 0.00288343/step Wall: 4767.23, 0.00288343/step, 2.688 hours remaining, 209.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1644000 739.3326 2109.5420 1987.5010 118.9322 -206218.7043 17992.3415 0.0000 0.0000 34511.2538 -148759.8011 301.3954 -183271.0549 -148660.7883 300.8046 79.1427 110.4553 557519.5837 -8.3178 -8.3493 PRESSURE: 1644200 93.2166 -163.823 -19.3411 -163.823 -198.93 -201.508 -19.3401 -201.509 -50.2009 GPRESSURE: 1644200 84.9935 -101.224 -17.8724 -182.524 -104.484 -218.117 -54.5148 -178.381 -33.735 PRESSAVG: 1644200 52.6536 20.9112 -13.766 20.9111 -14.2385 -8.07447 -13.766 -8.07439 -2.82048 GPRESSAVG: 1644200 50.9734 18.9096 -13.2366 22.8399 -13.0507 -7.86734 -14.467 -8.24621 -1.65988 TIMING: 1644200 CPU: 4767.8, 0.00287813/step Wall: 4767.8, 0.00287813/step, 2.6829 hours remaining, 209.613281 MB of memory in use. ENERGY: 1644200 755.7156 2072.8343 1988.1106 104.2297 -205637.6411 17620.5927 0.0000 0.0000 34263.3812 -148832.7770 299.2306 -183096.1583 -148735.2666 300.4080 -51.9713 -17.7418 557279.1128 11.8649 12.0876 LDB: ============= START OF LOAD BALANCING ============== 4771.19 LDB: ============== END OF LOAD BALANCING =============== 4771.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4771.19 LDB: ============= START OF LOAD BALANCING ============== 4771.48 LDB: Largest compute 4800 load 0.024718 is 21.0% of average load 0.117956 LDB: Average compute 0.001741 is 1.5% of average load 0.117956 LDB: TIME 4771.49 LOAD: AVG 0.117956 MAX 0.180457 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.312 MB LDB: TIME 4771.49 LOAD: AVG 0.117956 MAX 0.180457 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.34 MB LDB: TIME 4771.49 LOAD: AVG 0.117956 MAX 0.180457 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.34 MB LDB: ============== END OF LOAD BALANCING =============== 4771.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4771.49 PRESSURE: 1644400 116.13 118.942 -108.993 118.942 -20.7629 75.2395 -108.992 75.2406 332.211 GPRESSURE: 1644400 70.0584 130.904 -18.7361 173.955 66.7429 75.3319 -171.331 77.4385 383.016 PRESSAVG: 1644400 7.21185 -19.5293 37.6894 -19.5293 -19.695 -58.1019 37.6893 -58.1018 -7.53412 GPRESSAVG: 1644400 8.24312 -18.4181 38.5139 -20.7245 -20.0149 -57.7981 37.8777 -58.0071 -8.64178 TIMING: 1644400 CPU: 4768.4, 0.00296384/step Wall: 4768.4, 0.00296384/step, 2.76263 hours remaining, 207.847656 MB of memory in use. ENERGY: 1644400 752.4291 2096.6688 1972.1831 122.2947 -205945.6451 17884.5154 0.0000 0.0000 34210.1553 -148907.3986 298.7658 -183117.5539 -148813.1387 300.4175 142.5260 173.2725 556415.8568 -6.6724 -6.8045 PRESSURE: 1644600 -207.537 -17.4325 -19.2632 -17.4328 -124.547 216.926 -19.2653 216.927 -76.0096 GPRESSURE: 1644600 -222.375 49.3791 -41.29 -26.8902 -61.4059 188.7 30.349 128.018 -27.1086 PRESSAVG: 1644600 -52.2161 -11.9446 -45.6493 -11.9447 6.34269 19.2165 -45.6493 19.2164 29.5235 GPRESSAVG: 1644600 -52.1971 -14.4296 -47.4945 -10.1956 5.67893 19.7201 -43.6822 18.1078 29.6915 TIMING: 1644600 CPU: 4768.97, 0.002884/step Wall: 4768.97, 0.002884/step, 2.68805 hours remaining, 207.847656 MB of memory in use. ENERGY: 1644600 780.5175 2124.7729 1951.1076 109.9406 -205455.5655 17375.9802 0.0000 0.0000 34336.3633 -148776.8834 299.8680 -183113.2468 -148683.7717 300.0513 -136.0312 -103.6298 558171.7829 -5.4500 -5.6089 PRESSURE: 1644800 -303.914 -79.1212 23.3165 -79.1203 64.9733 -78.9017 23.3167 -78.9028 -93.675 GPRESSURE: 1644800 -224.825 -8.28 50.5515 -94.0333 90.4957 -31.0811 65.0499 -98.0834 -115.459 PRESSAVG: 1644800 4.08425 -0.994241 45.1406 -0.994217 14.6082 -24.5808 45.1405 -24.581 -0.147049 GPRESSAVG: 1644800 4.62164 0.960839 45.2375 -0.555452 13.4024 -23.3535 44.4165 -24.7691 0.0404598 TIMING: 1644800 CPU: 4769.56, 0.00292212/step Wall: 4769.56, 0.00292212/step, 2.72342 hours remaining, 207.847656 MB of memory in use. ENERGY: 1644800 748.2726 2104.7487 1935.9125 113.4122 -205779.2679 17571.9565 0.0000 0.0000 34331.1808 -148973.7847 299.8227 -183304.9655 -148876.6942 300.1376 -110.8720 -83.2628 558347.1108 6.1818 6.0215 PRESSURE: 1645000 -195.359 -64.5885 -55.3828 -64.5888 -2.90908 -79.6104 -55.3832 -79.6116 41.0747 GPRESSURE: 1645000 -165.933 -81.1084 -118.075 -54.8884 14.2193 -129.483 -93.2049 -84.8152 75.4148 PRESSAVG: 1645000 -34.7059 18.1814 -41.3525 18.1814 43.0695 -28.0132 -41.3526 -28.0131 -11.7377 GPRESSAVG: 1645000 -36.1128 17.0676 -41.9205 16.7165 44.3011 -30.0289 -41.5574 -27.5222 -11.5115 TIMING: 1645000 CPU: 4770.14, 0.00289403/step Wall: 4770.14, 0.00289403/step, 2.69707 hours remaining, 207.847656 MB of memory in use. ENERGY: 1645000 779.0483 2059.9791 1941.1936 130.9680 -206076.9541 17810.7242 0.0000 0.0000 34262.8705 -149092.1704 299.2262 -183355.0409 -148997.0325 299.6641 -52.3978 -25.4330 559601.1327 -1.1247 -1.1077 PRESSURE: 1645200 3.91805 -54.2487 -75.3017 -54.2476 135.343 -128.361 -75.3029 -128.362 -134.64 GPRESSURE: 1645200 49.473 -47.9206 -67.2339 -45.0595 115.914 -58.9344 -68.6556 -199.922 -79.3371 PRESSAVG: 1645200 -26.7483 -2.73048 37.7514 -2.73037 -7.91682 -12.7432 37.7514 -12.7432 5.4208 GPRESSAVG: 1645200 -25.2028 -2.21561 37.4925 -2.78464 -8.51968 -11.0362 36.069 -13.3217 4.96909 TIMING: 1645200 CPU: 4770.72, 0.00291425/step Wall: 4770.72, 0.00291425/step, 2.71576 hours remaining, 207.847656 MB of memory in use. ENERGY: 1645200 738.6820 2056.4042 1957.6235 124.6507 -206173.7544 17982.2170 0.0000 0.0000 34292.9075 -149021.2695 299.4885 -183314.1770 -148921.6007 299.6216 1.5403 28.6833 559104.6416 -9.7481 -9.5845 PRESSURE: 1645400 -118.791 -21.6611 94.7615 -21.6613 -21.2973 86.1002 94.7604 86.0997 121.619 GPRESSURE: 1645400 -95.9712 103.358 173.172 -51.733 33.2506 120.54 40.5776 26.7634 148.611 PRESSAVG: 1645400 19.5071 11.6206 34.8001 11.6207 -5.96214 8.59052 34.8001 8.59054 -13.2846 GPRESSAVG: 1645400 19.3274 13.7345 34.6532 11.1335 -5.64281 7.86913 36.4655 9.92467 -13.5738 TIMING: 1645400 CPU: 4771.3, 0.00290647/step Wall: 4771.3, 0.00290648/step, 2.70835 hours remaining, 207.847656 MB of memory in use. ENERGY: 1645400 750.0194 2121.6262 1970.8277 102.3029 -206011.9469 17782.0450 0.0000 0.0000 34295.7408 -148989.3849 299.5132 -183285.1257 -148890.4856 299.8065 -6.1566 28.6300 557666.1757 0.0868 0.0369 PRESSURE: 1645600 -82.2276 33.4783 127.017 33.4785 133.768 140.087 127.019 140.089 -88.3031 GPRESSURE: 1645600 4.35255 5.38846 141.374 -54.7971 128.161 111.021 159.315 193.631 -76.1022 PRESSAVG: 1645600 -25.6394 -13.9255 23.046 -13.9254 2.03103 -20.1743 23.0461 -20.1744 -43.3238 GPRESSAVG: 1645600 -25.7504 -15.2598 26.4615 -14.6709 1.56382 -21.6369 20.296 -17.1743 -43.3839 TIMING: 1645600 CPU: 4771.88, 0.00290781/step Wall: 4771.88, 0.00290781/step, 2.70943 hours remaining, 207.847656 MB of memory in use. ENERGY: 1645600 755.5639 2114.9288 1947.3464 111.3310 -205933.0882 17679.2645 0.0000 0.0000 34351.5868 -148973.0668 300.0010 -183324.6536 -148877.4925 299.9098 -12.2541 18.8037 557551.5509 -22.3107 -22.5235 PRESSURE: 1645800 203.419 -72.9265 32.1621 -72.9281 -61.9662 -38.3359 32.163 -38.3373 -12.3617 GPRESSURE: 1645800 164.496 -41.05 -24.2954 -78.2528 20.2779 -69.5974 111.909 -19.6746 37.3674 PRESSAVG: 1645800 54.3309 -5.85973 9.5219 -5.85965 -33.6809 -2.5076 9.52187 -2.50755 -59.1982 GPRESSAVG: 1645800 53.6655 -5.32634 6.28747 -6.36326 -33.3887 -2.03713 11.5836 -6.36741 -59.1538 TIMING: 1645800 CPU: 4772.46, 0.00291543/step Wall: 4772.46, 0.00291543/step, 2.71637 hours remaining, 207.902344 MB of memory in use. ENERGY: 1645800 789.5009 2092.0521 1971.3261 114.4733 -206156.1219 17925.2843 0.0000 0.0000 34306.8920 -148956.5933 299.6106 -183263.4852 -148854.2825 300.2662 43.0303 74.0471 556769.7707 -12.8494 -12.9590 PRESSURE: 1646000 -306.696 99.6584 55.6808 99.6586 -120.296 72.9256 55.6803 72.9256 -22.6948 GPRESSURE: 1646000 -315.927 132.582 115.274 113.292 -83.2822 78.8298 63.7779 89.0066 50.6918 PRESSAVG: 1646000 -29.4906 -16.1086 5.66 -16.1087 58.8358 5.37484 5.65998 5.37472 18.3967 GPRESSAVG: 1646000 -30.2484 -15.6639 9.20381 -16.1738 58.4899 4.21642 3.96059 7.62838 19.861 TIMING: 1646000 CPU: 4773.04, 0.00289521/step Wall: 4773.04, 0.00289521/step, 2.69737 hours remaining, 207.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1646000 751.7408 2180.8873 1924.5749 116.4658 -205606.8419 17391.1908 0.0000 0.0000 34235.9056 -149006.0766 298.9907 -183241.9822 -148905.8888 299.6016 -149.8956 -116.1724 557410.1877 15.9140 16.0342 PRESSURE: 1646200 20.4764 24.5515 -57.2557 24.5504 116.855 -120.277 -57.2562 -120.277 -75.4129 GPRESSURE: 1646200 12.9054 -76.4338 -113.334 -19.1718 147.367 -161.41 50.3357 -52.4566 4.54008 PRESSAVG: 1646200 41.9072 -81.6191 29.1065 -81.6191 -6.26171 8.92418 29.1065 8.9242 -45.061 GPRESSAVG: 1646200 42.0168 -83.4083 25.5251 -80.6195 -5.19761 8.46891 31.0989 9.0345 -45.9647 TIMING: 1646200 CPU: 4773.62, 0.00290376/step Wall: 4773.62, 0.00290376/step, 2.70518 hours remaining, 207.902344 MB of memory in use. ENERGY: 1646200 716.1470 2104.5756 1946.2269 110.1713 -206017.5188 17733.9874 0.0000 0.0000 34375.0546 -149031.3560 300.2059 -183406.4106 -148936.9967 299.7660 20.6396 54.9374 556987.7979 -3.1385 -3.0485 PRESSURE: 1646400 -337.631 -150.866 5.16362 -150.867 -64.7437 60.9951 5.16291 60.9947 -191.34 GPRESSURE: 1646400 -340.651 -157.995 -4.74642 -111.511 -11.2683 27.6591 1.66257 22.3206 -128.246 PRESSAVG: 1646400 -7.99 -64.2318 33.8357 -64.2317 -12.4583 -4.05227 33.8356 -4.05222 -44.6556 GPRESSAVG: 1646400 -6.77424 -63.6633 34.5324 -62.9482 -12.8616 -4.24245 34.4584 -4.09655 -45.3897 TIMING: 1646400 CPU: 4774.21, 0.00291646/step Wall: 4774.21, 0.00291646/step, 2.71684 hours remaining, 207.902344 MB of memory in use. ENERGY: 1646400 741.4046 2141.0902 1960.4529 106.9656 -205974.7436 17522.2142 0.0000 0.0000 34449.8159 -149052.8003 300.8588 -183502.6162 -148953.8064 299.8854 -197.9049 -160.0552 559231.1140 -21.7013 -21.6752 PRESSURE: 1646600 -144.301 100.571 -77.1217 100.57 -128.119 -94.466 -77.1222 -94.4661 -91.6386 GPRESSURE: 1646600 -66.5958 104.998 -72.5631 106.006 -53.2574 -118.538 -82.9137 -45.0682 -139.823 PRESSAVG: 1646600 67.3871 -31.2418 -80.5597 -31.2418 30.1164 64.4841 -80.5597 64.4841 -101.79 GPRESSAVG: 1646600 67.3455 -32.0935 -81.1096 -30.6501 29.8642 65.2027 -82.4934 65.2972 -101.738 TIMING: 1646600 CPU: 4774.79, 0.0029015/step Wall: 4774.79, 0.0029015/step, 2.70274 hours remaining, 207.902344 MB of memory in use. ENERGY: 1646600 757.4866 2129.1634 1973.4883 119.1073 -205758.9688 17596.5537 0.0000 0.0000 34075.2370 -149107.9325 297.5875 -183183.1695 -149013.1973 299.6871 -121.3527 -86.5587 558116.2831 -1.4289 -1.5094 PRESSURE: 1646800 -136.564 165.666 80.8671 165.665 -49.425 -24.6933 80.8665 -24.6934 176.03 GPRESSURE: 1646800 -133.006 196.183 44.3507 119.179 -40.7751 -58.382 115.075 23.2313 273.32 PRESSAVG: 1646800 -46.5083 -31.2515 -23.9611 -31.2515 154.435 -17.2949 -23.961 -17.295 -82.0235 GPRESSAVG: 1646800 -47.5426 -29.1265 -24.5197 -34.2821 154.578 -16.6435 -22.7379 -16.7062 -81.0462 TIMING: 1646800 CPU: 4775.38, 0.00293632/step Wall: 4775.38, 0.00293632/step, 2.73502 hours remaining, 207.902344 MB of memory in use. ENERGY: 1646800 738.7703 2116.1058 1956.1281 98.6771 -206287.1205 17860.7536 0.0000 0.0000 34303.0683 -149213.6173 299.5772 -183516.6856 -149114.4306 299.8516 -3.3197 33.1795 556505.1799 8.6343 8.6630 PRESSURE: 1647000 476.201 27.0384 -131.029 27.0387 189.152 195.809 -131.029 195.81 161.661 GPRESSURE: 1647000 541.202 32.9234 -108.646 86.0019 203.166 187.07 -87.8428 200.196 180.65 PRESSAVG: 1647000 -16.193 15.2436 -21.3043 15.2436 51.8217 18.5399 -21.3044 18.5399 -32.3861 GPRESSAVG: 1647000 -16.1747 15.3815 -19.8159 16.0731 51.476 19.0201 -21.1502 15.612 -32.2289 TIMING: 1647000 CPU: 4775.96, 0.00293031/step Wall: 4775.96, 0.00293031/step, 2.72926 hours remaining, 207.902344 MB of memory in use. ENERGY: 1647000 739.1161 2114.5863 1933.9754 115.1702 -206682.6865 18298.0895 0.0000 0.0000 34383.2436 -149098.5055 300.2774 -183481.7491 -149004.5295 299.3796 275.6715 308.3395 557167.4786 1.0809 1.0242 PRESSURE: 1647200 131.411 62.7471 -8.90306 62.7466 10.2967 156.923 -8.90241 156.924 235.002 GPRESSURE: 1647200 233.661 64.5556 -20.9981 57.7349 67.5586 110.162 -105.44 181.354 176.67 PRESSAVG: 1647200 6.93234 -25.6172 12.514 -25.6173 15.2787 26.2145 12.5139 26.2145 11.0455 GPRESSAVG: 1647200 7.92191 -26.6909 11.3623 -24.1914 13.9768 26.727 12.6443 27.9107 10.8545 TIMING: 1647200 CPU: 4776.55, 0.00291791/step Wall: 4776.55, 0.00291791/step, 2.71755 hours remaining, 207.902344 MB of memory in use. ENERGY: 1647200 740.5977 2065.2568 1948.1896 122.7573 -206452.2831 18168.7229 0.0000 0.0000 34314.4927 -149092.2661 299.6770 -183406.7589 -148988.6700 299.6893 125.5696 159.2967 558376.8798 11.0855 10.9177 PRESSURE: 1647400 190.195 -67.8179 -123.102 -67.8191 -49.2401 10.8118 -123.102 10.8114 -269.566 GPRESSURE: 1647400 133.363 -116.394 -103.252 -72.5061 23.9055 54.0663 -110.387 -79.0952 -187.008 PRESSAVG: 1647400 -16.8937 -20.8138 7.1966 -20.8139 26.8763 -10.4622 7.19663 -10.4622 -2.31475 GPRESSAVG: 1647400 -17.596 -22.8081 9.6 -19.2733 29.6324 -11.6195 6.26812 -9.25342 -3.81635 TIMING: 1647400 CPU: 4777.13, 0.00292168/step Wall: 4777.13, 0.00292168/step, 2.7209 hours remaining, 207.902344 MB of memory in use. ENERGY: 1647400 738.7448 2158.9896 1939.4383 124.6915 -206444.0225 17898.7437 0.0000 0.0000 34402.9519 -149180.4627 300.4495 -183583.4146 -149090.8235 299.6348 -42.8703 -9.9135 559082.8998 2.5560 2.7400 PRESSURE: 1647600 -175.7 104.006 66.0454 104.006 -188.897 109.695 66.0454 109.698 -19.441 GPRESSURE: 1647600 -112.328 82.1187 9.90375 126.624 -179.547 154.981 -21.3505 115.229 -3.08794 PRESSAVG: 1647600 -3.80806 -27.3696 13.3253 -27.3696 71.7752 59.83 13.3254 59.83 -31.6847 GPRESSAVG: 1647600 -3.75325 -25.9066 10.1039 -28.829 70.7527 60.9415 14.5292 57.681 -30.7128 TIMING: 1647600 CPU: 4777.72, 0.00293725/step Wall: 4777.72, 0.00293725/step, 2.73523 hours remaining, 207.902344 MB of memory in use. ENERGY: 1647600 759.3684 2109.3700 1935.6549 124.3460 -205739.9689 17570.8377 0.0000 0.0000 34383.3269 -148857.0651 300.2781 -183240.3920 -148764.8335 300.0163 -128.0128 -98.3210 557762.8069 12.0941 12.0955 PRESSURE: 1647800 -97.8974 -22.3318 -166.392 -22.3316 -65.3174 174.338 -166.393 174.339 -24.0709 GPRESSURE: 1647800 -74.6936 -8.446 -106.433 35.1475 -58.4136 199.557 -173.991 137.061 52.9836 PRESSAVG: 1647800 -27.9732 10.7048 -34.0712 10.7049 -0.585865 36.8935 -34.0712 36.8934 25.2826 GPRESSAVG: 1647800 -28.4734 8.31985 -31.8274 10.713 -1.63773 34.6942 -35.9177 38.5804 26.1172 TIMING: 1647800 CPU: 4778.3, 0.00292945/step Wall: 4778.3, 0.00292945/step, 2.72781 hours remaining, 208.105469 MB of memory in use. ENERGY: 1647800 780.1418 2110.5674 1967.8653 126.3079 -205977.8660 17724.6068 0.0000 0.0000 34339.9377 -148928.4391 299.8992 -183268.3768 -148833.0091 300.3850 -62.4286 -26.7078 557054.1643 -1.0922 -1.3313 PRESSURE: 1648000 33.9208 17.3866 -148.078 17.386 174 -26.2882 -148.077 -26.287 18.9229 GPRESSURE: 1648000 50.2765 -2.13198 -54.9792 -31.2342 246.835 -18.1477 -227.822 -73.3299 32.1914 PRESSAVG: 1648000 -20.3368 -11.1463 -47.5349 -11.1462 25.1867 29.1204 -47.5348 29.1203 7.40743 GPRESSAVG: 1648000 -20.4102 -9.23168 -48.9136 -10.6504 26.64 32.2627 -44.0419 28.018 6.20969 TIMING: 1648000 CPU: 4778.88, 0.00290451/step Wall: 4778.88, 0.00290451/step, 2.70443 hours remaining, 208.105469 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: 1648000 769.6581 2135.8127 1927.8257 102.6783 -206353.1000 18034.7166 0.0000 0.0000 34375.3404 -149007.0682 300.2084 -183382.4086 -148907.7627 300.3585 75.6144 109.7677 556908.2403 4.0858 4.1465 PRESSURE: 1648200 -105.645 -37.6166 -19.8952 -37.6159 -32.6635 -183.192 -19.8942 -183.191 -22.569 GPRESSURE: 1648200 -118.829 -3.59098 37.4947 -65.6744 14.8623 -194.91 -114.814 -132.253 45.3296 PRESSAVG: 1648200 -6.19132 50.1319 -53.724 50.1319 28.8658 21.1679 -53.724 21.1679 -24.7823 GPRESSAVG: 1648200 -6.2359 50.166 -52.8001 48.2883 28.0003 18.6084 -55.1682 22.6417 -24.1622 TIMING: 1648200 CPU: 4779.47, 0.00291368/step Wall: 4779.47, 0.00291368/step, 2.7128 hours remaining, 208.105469 MB of memory in use. ENERGY: 1648200 743.9265 2165.0149 1929.9616 122.4557 -206170.0479 17668.0792 0.0000 0.0000 34559.0341 -148981.5760 301.8126 -183540.6101 -148886.3487 300.1936 -53.6259 -19.5456 557209.7840 -0.7026 -0.7993 LDB: ============= START OF LOAD BALANCING ============== 4782.85 LDB: ============== END OF LOAD BALANCING =============== 4782.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4782.85 LDB: ============= START OF LOAD BALANCING ============== 4783.14 LDB: Largest compute 4800 load 0.023468 is 19.9% of average load 0.117938 LDB: Average compute 0.001738 is 1.5% of average load 0.117938 LDB: TIME 4783.14 LOAD: AVG 0.117938 MAX 0.184774 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.238 MB LDB: TIME 4783.14 LOAD: AVG 0.117938 MAX 0.184774 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: TIME 4783.14 LOAD: AVG 0.117938 MAX 0.184774 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4783.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4783.15 PRESSURE: 1648400 103.638 -5.40246 2.3752 -5.40402 17.7441 65.692 2.37443 65.6925 -168.163 GPRESSURE: 1648400 49.0097 8.5298 -109.394 11.3583 94.7628 61.9797 14.4611 -2.13825 -106.395 PRESSAVG: 1648400 24.7209 -19.8386 5.22988 -19.8385 69.5817 3.97239 5.22993 3.97237 -107.878 GPRESSAVG: 1648400 24.377 -19.1544 3.98912 -19.0107 70.4341 6.29115 3.42339 2.68092 -108.662 TIMING: 1648400 CPU: 4780.06, 0.00294293/step Wall: 4780.06, 0.00294293/step, 2.73987 hours remaining, 209.382812 MB of memory in use. ENERGY: 1648400 745.5917 2145.6525 1956.2253 105.9524 -205717.5540 17627.6947 0.0000 0.0000 34252.8399 -148883.5974 299.1386 -183136.4373 -148785.3665 299.9807 -15.5937 12.4590 556641.2454 -4.5250 -4.6171 PRESSURE: 1648600 32.8145 -39.5346 54.3013 -39.5354 -2.83851 -117.943 54.3013 -117.944 -258.017 GPRESSURE: 1648600 16.796 -21.61 36.5868 12.6006 51.4776 -142.044 39.9411 -49.0856 -194.928 PRESSAVG: 1648600 -3.17722 -36.2169 -63.3949 -36.217 45.9763 -4.37153 -63.3948 -4.37154 -35.7003 GPRESSAVG: 1648600 -2.2378 -37.2625 -60.2217 -35.9425 45.2393 -2.48513 -63.9623 -5.11228 -35.5776 TIMING: 1648600 CPU: 4780.64, 0.00290795/step Wall: 4780.64, 0.00290795/step, 2.70714 hours remaining, 209.625000 MB of memory in use. ENERGY: 1648600 773.1393 2113.6423 1941.5622 111.0024 -205645.8649 17504.3090 0.0000 0.0000 34232.6751 -148969.5345 298.9625 -183202.2096 -148865.1475 300.2660 -76.0136 -42.2182 557183.7557 2.3663 2.4746 PRESSURE: 1648800 110.96 -41.0243 44.3481 -41.0243 -7.22017 -74.224 44.3495 -74.2237 139.581 GPRESSURE: 1648800 174.703 -29.3053 -84.9549 -1.34043 39.7177 -58.683 113.402 -93.4025 142.87 PRESSAVG: 1648800 -21.3499 -42.4981 -26.0462 -42.4982 34.6581 -66.2421 -26.0462 -66.242 -25.3469 GPRESSAVG: 1648800 -20.9229 -42.432 -28.8748 -42.9693 33.7177 -69.8591 -25.1527 -64.3172 -25.6274 TIMING: 1648800 CPU: 4781.22, 0.0029324/step Wall: 4781.22, 0.00293239/step, 2.72973 hours remaining, 209.746094 MB of memory in use. ENERGY: 1648800 732.3612 2170.6403 1990.7096 127.9596 -206119.3929 17939.1329 0.0000 0.0000 34399.3609 -148759.2284 300.4182 -183158.5893 -148665.5612 300.2425 81.1069 119.0970 557611.6140 -4.0129 -4.2775 PRESSURE: 1649000 184.503 -21.1413 18.1075 -21.1416 68.3054 62.3582 18.1059 62.3576 -184.194 GPRESSURE: 1649000 190.437 -62.8192 10.1107 81.3023 123.185 -34.6352 32.7975 59.9376 -147.255 PRESSAVG: 1649000 -13.6149 -67.7302 26.3051 -67.7302 22.4568 -3.81737 26.3051 -3.81733 -8.85033 GPRESSAVG: 1649000 -15.2073 -70.0012 26.7272 -67.4021 24.2001 -2.64816 26.9641 -2.34971 -8.83564 TIMING: 1649000 CPU: 4781.81, 0.00291974/step Wall: 4781.81, 0.00291974/step, 2.71779 hours remaining, 209.746094 MB of memory in use. ENERGY: 1649000 784.5641 2085.0493 1947.7847 109.7802 -205717.8208 17693.1879 0.0000 0.0000 34273.2504 -148824.2043 299.3168 -183097.4548 -148731.8324 300.6509 22.8715 55.4557 557625.5420 -0.0028 0.0524 PRESSURE: 1649200 -72.2537 -72.7099 154.88 -72.7102 52.7285 -117.939 154.879 -117.938 -39.6376 GPRESSURE: 1649200 -14.3581 -172.902 72.5844 4.13742 90.6621 -119.153 133.088 -124.748 -45.5792 PRESSAVG: 1649200 -16.1791 -61.0494 56.901 -61.0493 36.7191 -5.04415 56.9009 -5.04411 6.77141 GPRESSAVG: 1649200 -15.005 -59.7934 58.0816 -61.5224 36.1633 -7.83037 54.5131 -2.93584 6.24366 TIMING: 1649200 CPU: 4782.38, 0.00287985/step Wall: 4782.38, 0.00287985/step, 2.6805 hours remaining, 209.746094 MB of memory in use. ENERGY: 1649200 778.5169 2126.7433 1926.0063 110.1554 -205970.6474 17734.0337 0.0000 0.0000 34382.0674 -148913.1247 300.2671 -183295.1920 -148817.4739 300.2783 -19.7209 10.2416 556686.2218 9.1038 9.1340 PRESSURE: 1649400 -224.035 127.015 -97.8397 127.015 1.34242 34.41 -97.8404 34.4122 -128.095 GPRESSURE: 1649400 -161.634 78.267 -56.2412 172.033 44.8715 27.2294 -63.0442 55.1975 -127.83 PRESSAVG: 1649400 -22.0752 -24.5928 37.222 -24.5928 -82.6796 21.3776 37.2219 21.3775 114.841 GPRESSAVG: 1649400 -22.3085 -23.5736 37.8035 -25.1595 -82.3501 24.1617 39.3506 20.4463 114.652 TIMING: 1649400 CPU: 4782.96, 0.00288644/step Wall: 4782.96, 0.00288644/step, 2.68648 hours remaining, 209.746094 MB of memory in use. ENERGY: 1649400 762.8137 2102.2259 1921.4813 111.4872 -205706.9436 17502.1278 0.0000 0.0000 34331.9696 -148974.8379 299.8296 -183306.8076 -148878.8518 300.3755 -116.9291 -81.5309 556691.4838 3.3622 3.3312 PRESSURE: 1649600 -65.1654 -57.0176 -92.7157 -57.0182 -223.884 38.7578 -92.7172 38.7576 38.3867 GPRESSURE: 1649600 -27.4435 -94.0461 -49.4795 -71.2035 -184.217 70.0479 -155.235 22.0301 76.4058 PRESSAVG: 1649600 -43.0526 41.0332 17.635 41.0332 18.2297 44.4888 17.6349 44.4888 38.0257 GPRESSAVG: 1649600 -42.0538 41.0601 16.9369 40.4423 15.9867 44.4165 15.8681 42.1828 39.1878 TIMING: 1649600 CPU: 4783.54, 0.00291503/step Wall: 4783.54, 0.00291503/step, 2.71292 hours remaining, 209.746094 MB of memory in use. ENERGY: 1649600 747.2699 2129.1928 1937.1799 120.3274 -205781.5064 17530.6183 0.0000 0.0000 34363.7937 -148953.1244 300.1076 -183316.9181 -148856.5977 300.4504 -83.5541 -45.0847 556869.7179 4.4009 4.3736 PRESSURE: 1649800 -16.1113 54.0217 9.0093 54.0215 203.866 236.963 9.00849 236.962 155.457 GPRESSURE: 1649800 21.4911 116.289 52.7086 87.449 229.245 209.043 -49.2014 180.37 185.577 PRESSAVG: 1649800 3.15261 -31.127 -16.2512 -31.1271 9.44227 7.69945 -16.2513 7.69944 -15.0259 GPRESSAVG: 1649800 1.45779 -32.5469 -16.0928 -27.5258 11.8542 7.54014 -15.7372 7.35134 -15.1616 TIMING: 1649800 CPU: 4784.13, 0.00291575/step Wall: 4784.13, 0.00291575/step, 2.71343 hours remaining, 209.746094 MB of memory in use. ENERGY: 1649800 754.5084 2113.9710 1931.5276 119.4284 -206119.6515 18043.7218 0.0000 0.0000 34333.7171 -148822.7772 299.8449 -183156.4943 -148728.3452 300.3813 114.4039 145.4375 557809.7957 -0.8103 -0.6165 PRESSURE: 1650000 -170.446 -150.575 -3.66336 -150.575 -46.1809 -191.504 -3.66389 -191.502 -178.742 GPRESSURE: 1650000 -112.792 -103.222 -88.3342 -242.003 -17.7656 -174.203 -78.1196 -201.579 -177.711 PRESSAVG: 1650000 -21.795 -18.9497 -26.2346 -18.9497 77.3573 30.7341 -26.2347 30.7342 -18.2464 GPRESSAVG: 1650000 -20.3966 -19.3342 -27.7851 -22.7779 75.979 30.1042 -23.3091 32.9436 -18.4554 TIMING: 1650000 CPU: 4784.7, 0.00288943/step Wall: 4784.7, 0.00288943/step, 2.68877 hours remaining, 209.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1650000 708.9974 2050.9938 1943.5501 117.8907 -205519.2760 17489.8570 0.0000 0.0000 34464.2779 -148743.7092 300.9851 -183207.9870 -148641.9767 300.4387 -131.7898 -102.7562 558372.8779 12.4386 12.3757 PRESSURE: 1650200 13.59 -125.789 -40.5277 -125.79 230.423 -129.72 -40.529 -129.72 -54.1799 GPRESSURE: 1650200 107.432 -156 -37.8906 -140.175 198.626 -68.1854 -14.7825 -109.824 -11.3129 PRESSAVG: 1650200 37.276 -34.5031 13.7284 -34.503 39.7199 -38.3758 13.7284 -38.3757 -47.9001 GPRESSAVG: 1650200 37.0232 -33.6327 13.5915 -31.4758 40.2549 -36.9669 13.5778 -39.9185 -47.277 TIMING: 1650200 CPU: 4785.28, 0.00288392/step Wall: 4785.28, 0.00288392/step, 2.68349 hours remaining, 209.746094 MB of memory in use. ENERGY: 1650200 743.2480 2110.2025 1926.8826 114.8727 -205967.7238 17784.3352 0.0000 0.0000 34446.6935 -148841.4893 300.8315 -183288.1828 -148738.9855 300.2352 63.2778 98.2482 555812.5185 9.6986 10.0004 PRESSURE: 1650400 -138.901 -56.3875 -73.7187 -56.3868 82.7337 108.157 -73.7198 108.157 -310.031 GPRESSURE: 1650400 -132.285 -79.8929 -67.387 -0.508034 110.527 31.9433 -37.1573 121.403 -242.469 PRESSAVG: 1650400 -34.1831 -45.9941 -76.1005 -45.9942 94.7754 37.1162 -76.1004 37.1161 -68.292 GPRESSAVG: 1650400 -34.1875 -44.5727 -74.7176 -48.2352 94.9163 37.8091 -77.3796 37.9974 -68.1841 TIMING: 1650400 CPU: 4785.86, 0.0029068/step Wall: 4785.86, 0.0029068/step, 2.70462 hours remaining, 209.746094 MB of memory in use. ENERGY: 1650400 731.2602 2100.6133 1952.5074 125.6128 -206112.5047 17680.3971 0.0000 0.0000 34375.9737 -149146.1402 300.2139 -183522.1139 -149045.1257 300.7846 -122.0661 -88.0760 556271.5777 -2.5666 -2.4851 PRESSURE: 1650600 -11.7285 145.395 55.9936 145.396 36.2291 259.802 55.9951 259.8 -146.409 GPRESSURE: 1650600 -1.86849 114.245 63.6549 172.76 79.1349 238.211 2.57667 260.515 -100.066 PRESSAVG: 1650600 -19.2491 25.9337 -42.3646 25.9337 34.9413 -14.1139 -42.3646 -14.1139 -19.6395 GPRESSAVG: 1650600 -20.1395 24.9733 -42.977 26.9849 35.9362 -15.0209 -43.2914 -13.0774 -20.4487 TIMING: 1650600 CPU: 4786.44, 0.00290279/step Wall: 4786.44, 0.00290279/step, 2.70073 hours remaining, 209.816406 MB of memory in use. ENERGY: 1650600 784.6178 2104.6913 1954.9413 98.8122 -206397.9291 17912.5131 0.0000 0.0000 34217.9771 -149324.3764 298.8341 -183542.3534 -149230.6035 299.4875 -40.6361 -7.5998 556800.6404 -1.3158 -1.5507 PRESSURE: 1650800 -11.211 -3.35339 78.5277 -3.35388 -135.535 -12.7022 78.5275 -12.7042 -316.717 GPRESSURE: 1650800 34.0717 -13.7738 75.2632 -2.77272 -104.133 19.7593 74.8832 -64.913 -298.665 PRESSAVG: 1650800 -9.23305 49.8858 -6.55791 49.8859 60.8877 -25.3741 -6.55799 -25.3742 -13.0951 GPRESSAVG: 1650800 -9.09023 49.6761 -4.652 48.2682 59.509 -25.6901 -6.12286 -25.7993 -12.1786 TIMING: 1650800 CPU: 4787.02, 0.0028925/step Wall: 4787.02, 0.0028925/step, 2.69099 hours remaining, 209.816406 MB of memory in use. ENERGY: 1650800 758.7544 2073.7064 1927.1608 107.8799 -206244.2370 17674.3725 0.0000 0.0000 34212.9560 -149489.4068 298.7903 -183702.3629 -149396.2836 298.4159 -154.4877 -122.9087 556171.0988 12.8532 12.7467 PRESSURE: 1651000 138.156 -231.111 -69.1356 -231.111 23.0792 -38.6017 -69.1366 -38.5995 161.165 GPRESSURE: 1651000 140.566 -278.29 -60.649 -142.268 16.1069 -61.6574 -38.7681 54.6825 272.355 PRESSAVG: 1651000 -14.1331 -70.9311 -6.88037 -70.931 -25.4685 -52.7532 -6.88031 -52.7532 14.3995 GPRESSAVG: 1651000 -13.6814 -72.5456 -8.38591 -68.1836 -24.068 -52.8663 -6.39988 -55.3544 12.49 TIMING: 1651000 CPU: 4787.6, 0.00290493/step Wall: 4787.6, 0.00290493/step, 2.70239 hours remaining, 209.816406 MB of memory in use. ENERGY: 1651000 760.4240 2064.8854 1953.6942 102.7861 -206347.3188 17944.4118 0.0000 0.0000 34160.0159 -149361.1014 298.3279 -183521.1172 -149266.5963 298.4152 107.4669 143.0095 556444.4001 -8.4007 -8.4198 PRESSURE: 1651200 100.005 10.7902 -20.3198 10.79 46.7345 -144.594 -20.3195 -144.594 122.58 GPRESSURE: 1651200 115.667 23.8847 -14.2786 -11.3014 85.6222 -95.2493 17.5658 -107.28 177.65 PRESSAVG: 1651200 34.6263 -33.36 -36.2438 -33.3601 -7.87607 -41.3214 -36.2437 -41.3216 -17.042 GPRESSAVG: 1651200 34.4435 -30.9182 -35.6683 -35.1459 -8.68278 -40.553 -35.9129 -39.9629 -15.7186 TIMING: 1651200 CPU: 4788.19, 0.00291187/step Wall: 4788.19, 0.00291187/step, 2.70869 hours remaining, 209.816406 MB of memory in use. ENERGY: 1651200 787.0892 2104.4590 1955.8189 123.6341 -206824.4810 18239.3884 0.0000 0.0000 34278.3950 -149335.6964 299.3617 -183614.0914 -149247.9209 299.0652 89.7733 126.3131 557233.8946 3.2361 3.3474 PRESSURE: 1651400 19.9562 111.891 65.8576 111.89 -440.267 -128.883 65.858 -128.884 -233.326 GPRESSURE: 1651400 23.601 97.5387 85.5002 127.986 -389.488 -96.2991 91.5576 -69.1663 -191.245 PRESSAVG: 1651400 19.0406 45.5907 -28.488 45.5908 7.97496 4.92027 -28.4881 4.92021 -15.4298 GPRESSAVG: 1651400 19.4844 43.6029 -29.9772 47.2459 7.70641 5.91786 -28.7353 3.42357 -15.9609 TIMING: 1651400 CPU: 4788.77, 0.00292323/step Wall: 4788.77, 0.00292323/step, 2.71909 hours remaining, 209.816406 MB of memory in use. ENERGY: 1651400 778.7365 2100.3417 1985.3423 119.9964 -206386.0755 17785.4859 0.0000 0.0000 34122.6671 -149493.5056 298.0017 -183616.1727 -149396.7708 299.1252 -217.8789 -185.7108 558697.3292 3.8619 3.7433 PRESSURE: 1651600 23.0698 69.9329 4.74225 69.9346 -72.7127 10.491 4.74207 10.4916 322.584 GPRESSURE: 1651600 98.6818 127.7 13.261 80.0842 -39.9475 -67.8912 -9.3639 55.3861 317.052 PRESSAVG: 1651600 36.6265 -1.82925 -11.455 -1.82935 -25.4146 3.05294 -11.4549 3.05299 -21.7545 GPRESSAVG: 1651600 38.2686 -0.332087 -11.8747 -2.75066 -24.5383 -0.361132 -11.2311 4.56559 -23.5348 TIMING: 1651600 CPU: 4789.35, 0.00289282/step Wall: 4789.35, 0.00289282/step, 2.69064 hours remaining, 209.816406 MB of memory in use. ENERGY: 1651600 735.9625 2101.2689 1939.9508 114.8443 -206487.9978 17861.6193 0.0000 0.0000 34429.6110 -149304.7410 300.6824 -183734.3520 -149213.0155 298.6459 90.9805 125.2620 556745.3544 -3.5142 -3.2682 PRESSURE: 1651800 -123.483 103.769 106.659 103.768 58.2029 0.767559 106.661 0.767654 14.3072 GPRESSURE: 1651800 -59.4021 159.661 144.033 57.3017 70.7537 78.7544 95.8003 -5.71243 24.0588 PRESSAVG: 1651800 1.75872 63.2283 49.4722 63.2283 -40.8249 -25.1931 49.4722 -25.1931 17.1114 GPRESSAVG: 1651800 -0.665909 62.208 51.6877 64.2442 -41.464 -22.786 46.9829 -25.6381 19.3294 TIMING: 1651800 CPU: 4789.93, 0.00289844/step Wall: 4789.93, 0.00289844/step, 2.69571 hours remaining, 209.816406 MB of memory in use. ENERGY: 1651800 749.6208 2048.2880 1913.6929 116.7547 -206111.9437 17705.9846 0.0000 0.0000 34189.0634 -149388.5393 298.5816 -183577.6027 -149292.6037 298.4647 -16.9909 11.8035 559347.7849 -7.3183 -7.6002 PRESSURE: 1652000 128.647 33.3119 -164.027 33.3109 96.5854 -51.9441 -164.026 -51.9446 -252.183 GPRESSURE: 1652000 170.807 -70.7623 -31.8837 35.5469 115.722 -61.4949 -161.246 -39.8067 -203.946 PRESSAVG: 1652000 -18.5182 -7.61773 42.72 -7.61782 5.38026 -78.7514 42.72 -78.7514 -68.9634 GPRESSAVG: 1652000 -17.6901 -7.38073 41.9343 -7.60707 5.01709 -80.0586 44.6783 -79.03 -69.9121 TIMING: 1652000 CPU: 4790.51, 0.0028944/step Wall: 4790.51, 0.0028944/step, 2.6918 hours remaining, 209.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1652000 754.8990 2063.5491 1893.0249 114.2975 -206219.8166 17837.2017 0.0000 0.0000 34166.0989 -149390.7455 298.3810 -183556.8444 -149291.7052 298.2339 -8.9836 27.5278 559320.2998 -27.3671 -27.5283 PRESSURE: 1652200 -358.831 -76.497 1.77692 -76.4969 -245.088 -11.2403 1.77786 -11.2402 -283.146 GPRESSURE: 1652200 -312.974 -55.0281 14.1428 -62.417 -226.037 -48.265 -19.0379 41.0404 -262.474 PRESSAVG: 1652200 2.10496 -5.06707 71.0724 -5.06709 -15.2789 -34.9273 71.0726 -34.9272 12.6079 GPRESSAVG: 1652200 0.611513 -5.0132 71.3068 -6.52831 -14.6494 -35.8098 70.4875 -34.0281 13.5766 TIMING: 1652200 CPU: 4791.09, 0.00291099/step Wall: 4791.09, 0.00291099/step, 2.70706 hours remaining, 209.816406 MB of memory in use. ENERGY: 1652200 767.7057 2113.4729 1947.2564 93.9760 -205848.0565 17540.6703 0.0000 0.0000 33990.1125 -149394.8629 296.8441 -183384.9754 -149298.6591 298.3432 -295.6884 -267.1618 559902.3812 -0.1887 -0.1537 LDB: ============= START OF LOAD BALANCING ============== 4794.47 LDB: ============== END OF LOAD BALANCING =============== 4794.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4794.48 LDB: ============= START OF LOAD BALANCING ============== 4794.77 LDB: Largest compute 4800 load 0.024494 is 20.8% of average load 0.117931 LDB: Average compute 0.001745 is 1.5% of average load 0.117931 LDB: TIME 4794.77 LOAD: AVG 0.117931 MAX 0.180564 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.898 MB LDB: TIME 4794.77 LOAD: AVG 0.117931 MAX 0.180564 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: TIME 4794.77 LOAD: AVG 0.117931 MAX 0.180564 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: ============== END OF LOAD BALANCING =============== 4794.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4794.77 PRESSURE: 1652400 -134.889 44.4928 -158.548 44.4924 -78.9829 -207.395 -158.548 -207.396 -282.463 GPRESSURE: 1652400 -92.9021 101.204 -114.366 -56.9858 -37.8749 -186.287 -85.1497 -162.635 -257.315 PRESSAVG: 1652400 -17.6251 9.14885 63.2829 9.14878 35.4046 -17.6012 63.283 -17.6013 -1.27799 GPRESSAVG: 1652400 -17.2228 7.81407 62.494 11.5987 36.1734 -17.2541 62.5697 -16.2337 -2.14515 TIMING: 1652400 CPU: 4791.68, 0.00294895/step Wall: 4791.68, 0.00294895/step, 2.7422 hours remaining, 208.667969 MB of memory in use. ENERGY: 1652400 787.9406 2117.3694 1940.5173 111.0196 -206206.3240 17691.6844 0.0000 0.0000 34159.3086 -149398.4841 298.3217 -183557.7927 -149303.1399 298.4707 -165.4451 -129.3640 557913.4183 5.5005 5.6018 PRESSURE: 1652600 -1.5338 47.7195 109.216 47.7199 391.249 85.9134 109.216 85.9136 18.9101 GPRESSURE: 1652600 55.8405 31.41 102.677 80.3035 439.51 99.0169 110.434 66.3351 22.5352 PRESSAVG: 1652600 -9.21341 -21.7291 42.987 -21.7291 18.2733 -26.6274 42.9869 -26.6274 -52.0141 GPRESSAVG: 1652600 -9.8319 -20.4514 43.9194 -24.4949 18.0615 -25.5586 42.6449 -27.7069 -51.5418 TIMING: 1652600 CPU: 4792.26, 0.00289469/step Wall: 4792.26, 0.00289469/step, 2.69158 hours remaining, 208.738281 MB of memory in use. ENERGY: 1652600 774.9922 2053.4558 1957.2840 119.5510 -206704.3111 18088.1226 0.0000 0.0000 34082.2766 -149628.6290 297.6490 -183710.9056 -149528.3200 298.8321 136.2085 172.6285 556122.6833 -14.3181 -14.4374 PRESSURE: 1652800 -67.1352 181.291 80.6281 181.291 117.261 26.1825 80.6269 26.1824 197.113 GPRESSURE: 1652800 4.58016 201.274 90.6169 170.866 172.992 174.254 134.845 -30.2847 172.805 PRESSAVG: 1652800 1.29162 20.3902 0.763838 20.3901 -23.0824 -4.70216 0.763701 -4.70207 24.3359 GPRESSAVG: 1652800 0.931925 20.4609 0.937739 21.375 -22.2782 -3.91202 2.7045 -6.98277 23.9046 TIMING: 1652800 CPU: 4792.84, 0.00289802/step Wall: 4792.84, 0.00289802/step, 2.69451 hours remaining, 208.738281 MB of memory in use. ENERGY: 1652800 756.4620 2070.3711 1958.8729 117.4887 -206975.7665 18292.9221 0.0000 0.0000 34187.9602 -149591.6895 298.5720 -183779.6497 -149490.8192 297.9496 82.4132 116.7925 557245.2809 0.8484 0.8528 PRESSURE: 1653000 -81.0252 -42.1495 292.368 -42.1492 -33.6088 213.402 292.368 213.402 -8.50563 GPRESSURE: 1653000 -36.8458 8.40851 273.378 -76.5226 -6.12411 282.938 322.115 145.41 12.9702 PRESSAVG: 1653000 -56.3007 -16.1094 45.4131 -16.1094 36.4206 32.5926 45.413 32.5926 -7.03354 GPRESSAVG: 1653000 -55.0655 -16.3815 45.1445 -17.233 36.1926 32.1961 43.4079 33.9999 -8.6072 TIMING: 1653000 CPU: 4793.42, 0.00289006/step Wall: 4793.42, 0.00289006/step, 2.68695 hours remaining, 208.738281 MB of memory in use. ENERGY: 1653000 768.1703 2132.9952 1939.6755 111.2821 -206503.6755 17855.4256 0.0000 0.0000 34164.4526 -149531.6741 298.3667 -183696.1268 -149438.5976 298.1245 -41.0465 -9.9999 556818.8545 -8.9712 -9.1600 PRESSURE: 1653200 -260.763 18.8588 85.7404 18.8579 -193.705 142.942 85.7402 142.942 1.63048 GPRESSURE: 1653200 -206.579 26.2115 39.8906 28.8056 -208.873 133.556 93.0872 148.701 45.5836 PRESSAVG: 1653200 68.6903 1.66354 39.0157 1.6635 -16.1807 57.6079 39.0157 57.6079 -0.243216 GPRESSAVG: 1653200 68.6948 2.25571 39.3333 2.11972 -16.3454 58.1313 40.7606 57.0442 -0.0464735 TIMING: 1653200 CPU: 4793.99, 0.00289476/step Wall: 4793.99, 0.00289476/step, 2.69116 hours remaining, 208.738281 MB of memory in use. ENERGY: 1653200 772.9226 2016.7750 1946.4919 107.2792 -205846.6658 17486.7282 0.0000 0.0000 34065.2486 -149451.2203 297.5003 -183516.4688 -149353.8072 298.1107 -150.9457 -123.2895 558507.8301 17.4221 17.4343 PRESSURE: 1653400 -111.314 -73.3214 -95.866 -73.3195 -62.5478 -8.41864 -95.8662 -8.41888 110.93 GPRESSURE: 1653400 -114.053 -28.7275 -184.149 -96.4385 -14.3752 -19.7974 -33.2313 -15.4041 171.623 PRESSAVG: 1653400 3.08324 -65.3448 -5.82638 -65.3448 -34.5498 24.8355 -5.82628 24.8356 29.2021 GPRESSAVG: 1653400 2.46701 -65.4496 -7.29156 -63.9629 -35.1376 25.2887 -3.74099 25.3242 30.4706 TIMING: 1653400 CPU: 4794.57, 0.00287802/step Wall: 4794.57, 0.00287802/step, 2.67544 hours remaining, 208.738281 MB of memory in use. ENERGY: 1653400 729.4669 2064.6347 1965.2798 116.1279 -206220.6107 17685.5118 0.0000 0.0000 34283.8645 -149375.7252 299.4095 -183659.5897 -149273.8110 298.9244 -20.9774 14.3984 557101.4120 -0.7548 -0.7333 PRESSURE: 1653600 -110.825 -6.2539 178.527 -6.25404 4.41935 -90.4258 178.528 -90.4239 34.9691 GPRESSURE: 1653600 -77.3604 -27.7411 195.204 -78.7479 42.1042 -68.6259 202.868 -39.6596 60.5873 PRESSAVG: 1653600 -17.1599 -21.5738 36.0619 -21.5738 18.5269 -2.67984 36.0618 -2.67989 14.8722 GPRESSAVG: 1653600 -17.1562 -21.1867 36.9736 -20.5 18.8912 -2.98183 33.9043 -2.72254 14.1273 TIMING: 1653600 CPU: 4795.15, 0.00289167/step Wall: 4795.15, 0.00289167/step, 2.68796 hours remaining, 208.738281 MB of memory in use. ENERGY: 1653600 734.1310 2141.2510 1944.0506 123.9663 -206390.9199 17793.2368 0.0000 0.0000 34512.9176 -149141.3666 301.4099 -183654.2842 -149043.0691 299.1173 -23.8122 8.4437 556595.8788 5.4131 5.2875 PRESSURE: 1653800 4.64102 -110.495 -4.33775 -110.495 -126.23 3.46833 -4.33784 3.47052 -206.454 GPRESSURE: 1653800 -26.0632 -45.2317 -64.2966 -75.9672 -53.4242 -87.4917 64.3041 37.5104 -153.268 PRESSAVG: 1653800 -3.03629 -14.8306 38.2111 -14.8304 -7.28323 39.1041 38.2111 39.1042 16.3855 GPRESSAVG: 1653800 -3.73473 -15.2058 37.5607 -14.4705 -6.90718 37.6129 38.106 38.7594 16.571 TIMING: 1653800 CPU: 4795.73, 0.0028872/step Wall: 4795.73, 0.0028872/step, 2.68365 hours remaining, 208.738281 MB of memory in use. ENERGY: 1653800 778.6715 2049.5693 1954.1741 110.4555 -205761.4795 17519.7547 0.0000 0.0000 34297.4721 -149051.3823 299.5284 -183348.8544 -148949.7819 299.1213 -109.3475 -77.5851 557285.3770 2.0220 1.9764 PRESSURE: 1654000 -43.7738 82.6958 -72.4806 82.6957 -103.542 68.8945 -72.4796 68.8945 9.59805 GPRESSURE: 1654000 37.564 70.4049 -89.3928 120.441 -58.6311 92.8199 -17.9733 161.382 -18.1551 PRESSAVG: 1654000 -5.6619 -13.9252 -22.4902 -13.9252 12.2096 -6.34653 -22.4902 -6.34657 31.3937 GPRESSAVG: 1654000 -4.4596 -15.3014 -22.9417 -14.9548 12.1871 -5.81841 -21.5272 -5.94986 30.0401 TIMING: 1654000 CPU: 4796.31, 0.00289844/step Wall: 4796.31, 0.00289844/step, 2.69394 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1654000 747.5851 2129.3684 1968.7988 104.2398 -206240.9588 17773.6811 0.0000 0.0000 34540.0402 -148977.2453 301.6468 -183517.2855 -148873.2783 300.1493 -45.9058 -13.0741 558263.8152 12.6471 12.5892 PRESSURE: 1654200 1.99551 64.8043 -55.245 64.806 -200.659 -75.2384 -55.2459 -75.2395 -64.7851 GPRESSURE: 1654200 30.6708 32.7705 -4.61429 20.8677 -174.148 -109.303 -101.415 -42.7064 -21.5324 PRESSAVG: 1654200 -16.012 18.06 3.44292 18.0599 29.7868 -19.6863 3.44296 -19.6863 -33.129 GPRESSAVG: 1654200 -16.1328 18.4924 4.79036 19.549 30.0467 -17.5663 2.28803 -20.4106 -33.2494 TIMING: 1654200 CPU: 4796.88, 0.00289029/step Wall: 4796.88, 0.00289029/step, 2.68621 hours remaining, 208.738281 MB of memory in use. ENERGY: 1654200 762.7861 2127.4560 1996.6132 114.1557 -205744.3803 17704.2152 0.0000 0.0000 34202.3921 -148836.7620 298.6980 -183039.1540 -148744.4568 300.2456 -87.8162 -55.0033 560473.9112 -6.4514 -6.4451 PRESSURE: 1654400 163.329 46.0792 -97.5949 46.0776 -22.5805 133.228 -97.5939 133.227 74.395 GPRESSURE: 1654400 211.228 -8.74662 -71.2906 153.664 -22.4667 225.9 -66.3522 72.185 129.258 PRESSAVG: 1654400 37.9215 13.2911 -31.1968 13.2911 -0.421961 -58.2148 -31.1967 -58.2147 -30.3558 GPRESSAVG: 1654400 38.0012 13.0821 -30.8441 14.6396 -1.10002 -61.1071 -31.7947 -56.6714 -29.7254 TIMING: 1654400 CPU: 4797.46, 0.00289885/step Wall: 4797.46, 0.00289885/step, 2.694 hours remaining, 208.738281 MB of memory in use. ENERGY: 1654400 760.9070 2108.3931 1951.9927 111.8960 -206282.0658 18001.6599 0.0000 0.0000 34380.4300 -148966.7870 300.2528 -183347.2170 -148867.9111 300.1511 71.7144 106.0065 558568.3112 2.3812 2.3919 PRESSURE: 1654600 -123.543 -189.315 -23.8996 -189.316 -351.86 -121.307 -23.8995 -121.306 -201.635 GPRESSURE: 1654600 -97.7281 -163.233 -2.86666 -205.585 -292.762 -105.328 -37.8889 -164.936 -192.952 PRESSAVG: 1654600 -41.7911 31.0461 -27.4315 31.046 18.4008 21.4325 -27.4314 21.4325 -0.839606 GPRESSAVG: 1654600 -42.7922 31.0225 -28.4797 29.4641 20.0548 23.3048 -27.1924 21.4404 -1.39515 TIMING: 1654600 CPU: 4798.04, 0.00286959/step Wall: 4798.04, 0.00286959/step, 2.66665 hours remaining, 208.738281 MB of memory in use. ENERGY: 1654600 783.0411 2086.0418 1940.8341 109.0216 -205836.1329 17557.5360 0.0000 0.0000 34513.0564 -148846.6020 301.4111 -183359.6584 -148748.6765 300.5469 -225.6794 -194.4807 559888.7973 -8.0766 -8.0442 PRESSURE: 1654800 109.404 -118.062 130.403 -118.061 -110.6 -56.5182 130.402 -56.5167 223.89 GPRESSURE: 1654800 121.797 -117.21 175.873 -157.168 -29.6995 -103.619 56.1094 -50.1727 235.1 PRESSAVG: 1654800 -1.75144 -66.6174 -0.187673 -66.6173 -69.7658 25.6608 -0.187644 25.6609 86.178 GPRESSAVG: 1654800 -1.15635 -66.4311 -0.302719 -67.5003 -71.8476 23.0688 1.86331 25.7385 87.516 TIMING: 1654800 CPU: 4798.61, 0.00288504/step Wall: 4798.61, 0.00288504/step, 2.68084 hours remaining, 208.738281 MB of memory in use. ENERGY: 1654800 759.1509 2120.1528 1940.8111 115.9098 -206225.7054 18031.8030 0.0000 0.0000 34533.2592 -148724.6186 301.5875 -183257.8778 -148622.4742 300.3864 74.2315 109.0660 558878.0628 4.8869 4.8373 PRESSURE: 1655000 -96.3958 13.914 122.934 13.9126 58.2579 123.689 122.934 123.691 122.674 GPRESSURE: 1655000 -0.696306 -81.4708 83.8947 15.4538 46.7188 92.8245 207.568 163.07 144.061 PRESSAVG: 1655000 55.1794 32.068 8.44416 32.068 -32.8051 17.312 8.4441 17.312 -15.0174 GPRESSAVG: 1655000 55.567 31.6583 8.8189 31.9499 -32.755 20.7865 9.36832 16.4471 -15.7247 TIMING: 1655000 CPU: 4799.19, 0.00286873/step Wall: 4799.19, 0.00286873/step, 2.66553 hours remaining, 208.738281 MB of memory in use. ENERGY: 1655000 736.9964 2102.3522 1954.9996 119.8032 -205635.6999 17766.6670 0.0000 0.0000 34347.8919 -148606.9897 299.9687 -182954.8816 -148508.8143 300.4252 28.1787 63.3611 558865.4278 2.4523 2.3624 PRESSURE: 1655200 33.3242 2.05726 -1.56674 2.05746 -15.492 -55.0177 -1.56733 -55.0192 178.314 GPRESSURE: 1655200 117.434 62.4457 26.591 -74.3043 12.8871 -73.959 36.0575 -36.8754 154.696 PRESSAVG: 1655200 29.7436 -19.0564 13.5519 -19.0564 -52.4777 -15.8901 13.5519 -15.89 10.9244 GPRESSAVG: 1655200 29.6851 -18.9038 14 -17.7912 -53.0493 -16.7509 12.7838 -14.5021 11.1965 TIMING: 1655200 CPU: 4799.76, 0.00288164/step Wall: 4799.76, 0.00288164/step, 2.67736 hours remaining, 208.738281 MB of memory in use. ENERGY: 1655200 766.4021 2088.6090 1927.3971 110.6533 -205873.4200 17889.2624 0.0000 0.0000 34303.5392 -148787.5570 299.5813 -183091.0962 -148686.8916 300.3716 65.3819 95.0058 558709.1945 -3.9365 -4.0559 PRESSURE: 1655400 77.0892 98.0129 59.1944 98.0132 -54.2098 112.185 59.1937 112.185 -18.9323 GPRESSURE: 1655400 133.365 109.82 15.7297 31.9318 -45.5242 45.2268 128.155 182.881 7.40555 PRESSAVG: 1655400 -34.1883 -25.1128 35.8735 -25.1128 9.18896 25.9219 35.8735 25.9219 34.5522 GPRESSAVG: 1655400 -34.3059 -23.7176 35.6804 -25.6972 9.99946 24.8274 36.4777 24.4226 33.7664 TIMING: 1655400 CPU: 4800.34, 0.00287735/step Wall: 4800.34, 0.00287735/step, 2.67322 hours remaining, 208.738281 MB of memory in use. ENERGY: 1655400 715.4571 2086.7119 1949.0761 101.5695 -206110.6052 17926.8971 0.0000 0.0000 34550.5430 -148780.3506 301.7385 -183330.8935 -148685.3201 300.5266 1.3157 31.7489 560661.5798 3.1843 3.1533 PRESSURE: 1655600 -215.318 221.728 -223.376 221.728 47.6318 128.154 -223.377 128.153 73.6214 GPRESSURE: 1655600 -203.336 201.887 -244.554 261.864 81.899 146.78 -166.849 113.195 132.063 PRESSAVG: 1655600 -60.4458 60.0027 4.29689 60.0027 23.2644 -3.02646 4.2969 -3.02637 7.82247 GPRESSAVG: 1655600 -59.7452 58.5926 4.80419 60.008 23.0773 -3.97615 3.85748 -1.09632 8.6482 TIMING: 1655600 CPU: 4800.91, 0.00286593/step Wall: 4800.91, 0.00286593/step, 2.66245 hours remaining, 208.738281 MB of memory in use. ENERGY: 1655600 758.0377 2099.0930 1923.2975 102.4787 -205746.5235 17890.7116 0.0000 0.0000 34293.6981 -148679.2070 299.4954 -182972.9050 -148589.2709 300.3978 -31.3548 3.5420 562044.8639 -9.7863 -9.3399 PRESSURE: 1655800 223.647 184.039 -93.4442 184.038 -63.0393 70.8111 -93.4439 70.812 201.9 GPRESSURE: 1655800 279.686 219.182 -91.1383 67.6526 -36.4204 72.8296 -129.748 42.5688 216.378 PRESSAVG: 1655800 0.651515 43.1025 -51.7382 43.1025 48.6776 -44.2047 -51.7383 -44.2047 -57.2264 GPRESSAVG: 1655800 0.458367 44.0039 -51.7252 43.0426 48.6553 -40.8032 -53.4511 -47.631 -57.1368 TIMING: 1655800 CPU: 4801.49, 0.00288966/step Wall: 4801.49, 0.00288966/step, 2.68433 hours remaining, 208.738281 MB of memory in use. ENERGY: 1655800 722.0329 2109.2247 1963.4511 128.0901 -205815.8273 17880.9356 0.0000 0.0000 34355.8843 -148656.2086 300.0385 -183012.0929 -148561.2336 300.4161 120.8361 153.2147 559011.2775 -2.6324 -2.6744 PRESSURE: 1656000 150.014 52.0246 -134.701 52.0249 -172.636 -25.2392 -134.703 -25.239 -118.83 GPRESSURE: 1656000 172.612 26.451 -184.622 73.2067 -172.119 -10.4469 -169.553 23.9527 -45.5357 PRESSAVG: 1656000 25.3184 47.6001 -12.6553 47.6001 -23.8289 13.5723 -12.6553 13.5723 7.00604 GPRESSAVG: 1656000 26.6993 46.4802 -12.4601 47.8476 -24.6809 13.4161 -13.09 14.3555 6.86462 TIMING: 1656000 CPU: 4802.07, 0.00291379/step Wall: 4802.07, 0.00291379/step, 2.70659 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1656000 745.6857 2096.0814 1930.3284 118.3329 -205711.9109 17704.0859 0.0000 0.0000 34429.2306 -148688.1659 300.6790 -183117.3965 -148594.3873 300.3882 -47.1508 -15.0143 558766.1048 2.8318 2.9610 PRESSURE: 1656200 -52.8202 58.131 74.3447 58.1294 -360.855 160.052 74.3454 160.05 -113.767 GPRESSURE: 1656200 -76.4951 95.0079 93.7331 79.17 -328.46 34.1641 56.7017 186.77 -26.3538 PRESSAVG: 1656200 51.0128 34.634 33.0986 34.6339 -80.6045 25.9951 33.0985 25.9952 12.788 GPRESSAVG: 1656200 49.441 36.1379 32.2496 35.1945 -79.282 25.0641 34.5586 26.167 12.7629 TIMING: 1656200 CPU: 4802.65, 0.00289945/step Wall: 4802.65, 0.00289945/step, 2.69311 hours remaining, 208.738281 MB of memory in use. ENERGY: 1656200 772.4985 2081.3142 1934.6075 125.0041 -205388.8070 17436.0438 0.0000 0.0000 34373.8137 -148665.5251 300.1951 -183039.3389 -148570.3535 300.6967 -175.8140 -143.7696 558794.1786 -5.6012 -5.6927 LDB: ============= START OF LOAD BALANCING ============== 4806.04 LDB: ============== END OF LOAD BALANCING =============== 4806.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4806.04 LDB: ============= START OF LOAD BALANCING ============== 4806.33 LDB: Largest compute 4800 load 0.023939 is 20.3% of average load 0.117939 LDB: Average compute 0.001748 is 1.5% of average load 0.117939 LDB: TIME 4806.33 LOAD: AVG 0.117939 MAX 0.180783 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.156 MB LDB: TIME 4806.33 LOAD: AVG 0.117939 MAX 0.180783 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: TIME 4806.33 LOAD: AVG 0.117939 MAX 0.180783 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: ============== END OF LOAD BALANCING =============== 4806.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4806.34 PRESSURE: 1656400 -240.466 92.4951 22.2835 92.4966 -133.232 59.5448 22.2842 59.5445 0.877789 GPRESSURE: 1656400 -228.075 -40.5221 111.566 170.287 -100.684 53.2805 -3.19332 68.1637 59.2023 PRESSAVG: 1656400 21.952 46.1643 -3.07108 46.1642 -2.25704 10.2325 -3.07098 10.2324 -34.2744 GPRESSAVG: 1656400 23.6722 44.3949 -3.51095 45.5682 -1.99419 10.156 -0.874706 11.2684 -36.1154 TIMING: 1656400 CPU: 4803.24, 0.00295115/step Wall: 4803.24, 0.00295115/step, 2.74096 hours remaining, 207.898438 MB of memory in use. ENERGY: 1656400 748.9069 2077.4556 1954.5547 109.2582 -205538.4449 17657.9456 0.0000 0.0000 34204.9163 -148785.4076 298.7200 -182990.3239 -148691.6864 299.8988 -124.2737 -89.8525 558600.8011 -4.8598 -4.8125 PRESSURE: 1656600 -362.915 40.0175 36.371 40.0162 -387.504 -84.8056 36.3707 -84.806 -142.601 GPRESSURE: 1656600 -351.44 84.4295 11.812 55.3301 -328.983 -137.219 58.294 40.2072 -123.936 PRESSAVG: 1656600 0.8439 13.6503 -13.0764 13.6503 -7.52694 -25.9255 -13.0764 -25.9254 15.1193 GPRESSAVG: 1656600 0.653554 13.3485 -12.0053 14.8165 -9.40378 -26.0844 -16.6489 -25.2058 17.0785 TIMING: 1656600 CPU: 4803.82, 0.00287641/step Wall: 4803.82, 0.00287641/step, 2.67139 hours remaining, 208.140625 MB of memory in use. ENERGY: 1656600 779.7307 2074.9649 1936.8172 109.1580 -205516.5594 17423.9094 0.0000 0.0000 34414.0482 -148777.9309 300.5464 -183191.9791 -148675.8795 300.0132 -297.6729 -268.1199 557969.3658 2.8121 2.7761 PRESSURE: 1656800 92.1818 -34.073 76.7974 -34.0733 144.564 -110.48 76.7983 -110.479 -175.366 GPRESSURE: 1656800 167.99 -22.4123 -6.86732 -74.1366 103.256 -87.2696 26.4862 -122.527 -114.74 PRESSAVG: 1656800 41.5132 -3.85658 5.63612 -3.85667 2.45382 29.5701 5.63621 29.5702 -26.5702 GPRESSAVG: 1656800 41.4318 -2.50673 5.23629 -6.02013 2.59688 29.9331 7.6488 29.9966 -26.2779 TIMING: 1656800 CPU: 4804.4, 0.0028828/step Wall: 4804.4, 0.0028828/step, 2.67716 hours remaining, 208.140625 MB of memory in use. ENERGY: 1656800 807.2100 2060.6587 1941.3571 122.9283 -206211.6218 17942.3633 0.0000 0.0000 34613.8743 -148723.2301 302.2916 -183337.1044 -148624.3641 301.0577 20.4597 52.1686 557441.4618 5.7989 5.9169 PRESSURE: 1657000 26.7191 176.05 -99.4619 176.051 -12.3822 15.5516 -99.4614 15.5509 -71.3739 GPRESSURE: 1657000 64.9093 210.164 -155.699 189.542 41.1062 -2.79306 -28.2683 -24.6849 -77.5877 PRESSAVG: 1657000 0.475512 75.988 47.6181 75.9881 -19.2239 -6.50624 47.6181 -6.50617 42.0748 GPRESSAVG: 1657000 1.02131 76.8045 48.3409 77.6247 -19.026 -6.77104 46.1305 -7.53627 40.843 TIMING: 1657000 CPU: 4804.97, 0.00288315/step Wall: 4804.97, 0.00288315/step, 2.67733 hours remaining, 208.140625 MB of memory in use. ENERGY: 1657000 744.7250 2122.7428 1960.7591 131.3262 -205966.5869 17817.0580 0.0000 0.0000 34416.6329 -148773.3429 300.5690 -183189.9758 -148679.1796 300.7173 -19.0123 9.4760 559085.4397 7.7755 7.6128 PRESSURE: 1657200 -185.401 -100.504 -86.0394 -100.505 -135.478 12.8254 -86.039 12.8245 20.5652 GPRESSURE: 1657200 -151.548 46.2098 -82.0414 -246.329 -79.6732 -3.01024 -171.806 54.4941 21.3642 PRESSAVG: 1657200 -15.9 34.4456 -48.0335 34.4456 35.2077 -23.6926 -48.0334 -23.6926 -0.725866 GPRESSAVG: 1657200 -16.7978 34.2235 -48.7481 33.9118 37.0421 -23.8043 -46.2627 -23.1368 -1.42004 TIMING: 1657200 CPU: 4805.55, 0.00286521/step Wall: 4805.55, 0.00286521/step, 2.66051 hours remaining, 208.140625 MB of memory in use. ENERGY: 1657200 745.2586 2104.1264 1946.2671 129.4943 -205498.4355 17478.3623 0.0000 0.0000 34268.2816 -148826.6453 299.2734 -183094.9269 -148727.2812 300.4878 -100.1046 -69.9525 558431.5319 6.1940 6.2748 PRESSURE: 1657400 -143.997 97.5761 -123.188 97.5763 -150.257 19.326 -123.187 19.3263 -426.742 GPRESSURE: 1657400 -159.607 102.685 -257.351 128.334 -96.9996 3.84795 2.04329 23.2524 -361.658 PRESSAVG: 1657400 -9.51507 29.0325 -32.1948 29.0326 42.267 -43.4074 -32.1947 -43.4076 -79.538 GPRESSAVG: 1657400 -9.81622 29.7679 -33.2546 28.9536 41.1839 -43.6574 -31.1944 -43.4746 -77.9079 TIMING: 1657400 CPU: 4806.13, 0.00290269/step Wall: 4806.13, 0.00290269/step, 2.69515 hours remaining, 208.140625 MB of memory in use. ENERGY: 1657400 767.8774 2141.3671 1959.0071 107.7862 -205590.9246 17469.7019 0.0000 0.0000 34380.8282 -148764.3567 300.2563 -183145.1849 -148660.3519 300.5911 -240.3321 -206.0882 559924.1761 -15.5954 -15.5134 PRESSURE: 1657600 -141.105 -3.08442 98.0888 -3.08359 -8.97131 107.283 98.0884 107.284 -60.1758 GPRESSURE: 1657600 -111.251 -86.7291 166.315 100.096 42.1142 98.1653 71.2694 100.179 -46.811 PRESSAVG: 1657600 -5.01992 19.0884 8.04749 19.0883 4.51773 -24.2767 8.04754 -24.2767 3.11221 GPRESSAVG: 1657600 -5.30574 19.3458 9.01661 17.9763 4.62661 -24.2282 7.45453 -24.4062 2.7315 TIMING: 1657600 CPU: 4806.7, 0.00289037/step Wall: 4806.7, 0.00289037/step, 2.68355 hours remaining, 208.140625 MB of memory in use. ENERGY: 1657600 738.5911 2089.0021 1943.3285 126.0002 -205663.3642 17488.0751 0.0000 0.0000 34467.5995 -148810.7677 301.0141 -183278.3672 -148707.7828 300.3934 -70.0839 -38.6494 557502.5523 0.8700 0.6841 PRESSURE: 1657800 -275.485 32.1892 -181.826 32.1883 -203.451 -46.9804 -181.826 -46.9811 47.1238 GPRESSURE: 1657800 -182.432 77.0626 -222.883 6.52436 -202.496 -76.9068 -155.232 -34.9241 61.2442 PRESSAVG: 1657800 7.43855 -27.3337 15.7578 -27.3337 0.0854459 30.4396 15.7578 30.4396 -1.51493 GPRESSAVG: 1657800 7.2763 -29.7266 14.4316 -25.7877 0.443473 31.18 15.301 28.6125 -1.86591 TIMING: 1657800 CPU: 4807.28, 0.00287434/step Wall: 4807.28, 0.00287434/step, 2.6685 hours remaining, 208.140625 MB of memory in use. ENERGY: 1657800 782.0034 2103.3643 1969.8509 120.3512 -205743.2653 17677.4635 0.0000 0.0000 34310.3358 -148779.8962 299.6407 -183090.2320 -148683.4395 300.9183 -143.9375 -107.8947 558631.0749 2.0030 1.9513 PRESSURE: 1658000 1.7722 -222.424 -20.3211 -222.424 194.84 -80.9503 -20.3196 -80.9502 60.7185 GPRESSURE: 1658000 86.7136 -238.282 9.82331 -72.6562 238.032 -83.4983 -3.5582 -64.598 29.6411 PRESSAVG: 1658000 -50.5025 -43.0915 -32.8921 -43.0915 -48.4555 -35.667 -32.8922 -35.667 79.1901 GPRESSAVG: 1658000 -49.7146 -42.4857 -31.4322 -41.9876 -49.3506 -38.1254 -32.4325 -33.0923 78.8738 TIMING: 1658000 CPU: 4807.86, 0.00288699/step Wall: 4807.86, 0.00288699/step, 2.68009 hours remaining, 208.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1658000 715.6629 2178.0394 1940.0717 118.2631 -205904.6161 17839.0195 0.0000 0.0000 34100.5341 -149013.0254 297.8084 -183113.5595 -148917.3767 300.2016 85.7770 118.1291 558440.2596 -6.5893 -6.7305 PRESSURE: 1658200 -182.482 -215.651 -84.6672 -215.651 119.876 -19.3541 -84.6672 -19.3563 0.821349 GPRESSURE: 1658200 -169.582 -262.041 -127.641 -193.772 128.584 -27.4189 -89.6989 -36.2899 67.8016 PRESSAVG: 1658200 -18.4362 -50.1253 7.94273 -50.1253 -21.6925 -10.0087 7.94276 -10.0086 74.1091 GPRESSAVG: 1658200 -18.3185 -50.2984 6.23867 -50.8635 -21.5211 -9.43874 7.72544 -10.6611 74.157 TIMING: 1658200 CPU: 4808.43, 0.00285875/step Wall: 4808.43, 0.00285875/step, 2.65372 hours remaining, 208.140625 MB of memory in use. ENERGY: 1658200 751.0293 2117.4503 1945.3244 116.3502 -206446.7477 17842.3060 0.0000 0.0000 34677.2319 -148997.0556 302.8449 -183674.2875 -148897.6439 300.5263 -20.5948 8.9345 555801.5007 11.3268 11.4391 PRESSURE: 1658400 54.8721 111.38 68.0455 111.38 -128.647 -60.1968 68.045 -60.1961 -86.7552 GPRESSURE: 1658400 84.9562 75.4678 52.6553 128.776 -111.971 -86.1135 103.982 -28.3235 -38.0405 PRESSAVG: 1658400 -23.1891 -59.1833 0.816674 -59.1832 11.5686 28.0961 0.816565 28.0961 48.6984 GPRESSAVG: 1658400 -23.428 -57.5705 1.69899 -60.7323 11.0022 26.4726 0.971562 28.5842 49.3757 TIMING: 1658400 CPU: 4809, 0.00286149/step Wall: 4809, 0.00286149/step, 2.6561 hours remaining, 208.195312 MB of memory in use. ENERGY: 1658400 763.0900 2063.2377 1930.4679 102.4025 -206262.6467 17798.6949 0.0000 0.0000 34266.5906 -149338.1630 299.2587 -183604.7536 -149233.0494 300.1023 -53.5100 -21.6852 557539.9028 12.3593 12.3166 PRESSURE: 1658600 -268.554 -75.7824 73.4201 -75.7823 -161.314 96.0555 73.4186 96.0545 -512.948 GPRESSURE: 1658600 -261.509 1.43924 33.0218 -110.901 -92.1804 6.85267 121.362 61.7058 -496.861 PRESSAVG: 1658600 -3.1624 11.3094 43.8263 11.3094 53.3431 12.4475 43.8263 12.4475 -14.7074 GPRESSAVG: 1658600 -2.06653 9.39404 46.1285 13.55 52.9597 12.7923 42.9473 11.6087 -15.5003 TIMING: 1658600 CPU: 4809.57, 0.00286978/step Wall: 4809.57, 0.00286978/step, 2.66363 hours remaining, 208.195312 MB of memory in use. ENERGY: 1658600 750.7684 2086.1717 1971.6651 104.3641 -206139.0671 17596.1966 0.0000 0.0000 34322.6554 -149307.2457 299.7483 -183629.9011 -149198.9354 299.1522 -314.2719 -283.5168 558939.6724 11.8244 11.7976 PRESSURE: 1658800 95.957 55.0851 -91.0993 55.0865 178.51 -72.3 -91.1001 -72.3 270.258 GPRESSURE: 1658800 134.906 56.6609 -23.3407 101.644 234.853 -18.4257 -113.078 -178.968 262.904 PRESSAVG: 1658800 -51.4945 -16.3019 6.92197 -16.3018 76.3007 9.88994 6.92203 9.89003 -45.0486 GPRESSAVG: 1658800 -52.1322 -14.3985 7.63092 -17.3321 77.2672 11.4586 5.23431 9.28836 -44.6866 TIMING: 1658800 CPU: 4810.15, 0.00289216/step Wall: 4810.15, 0.00289216/step, 2.68425 hours remaining, 208.195312 MB of memory in use. ENERGY: 1658800 716.8131 2084.8112 1963.0731 117.2846 -206396.0529 18002.5679 0.0000 0.0000 34081.9166 -149429.5864 297.6459 -183511.5030 -149334.2901 298.4844 181.5749 210.8878 556723.8123 -6.7475 -6.5172 PRESSURE: 1659000 63.0347 -21.5374 42.2396 -21.5378 205.113 -23.3889 42.239 -23.3886 8.34403 GPRESSURE: 1659000 143.688 -111.848 56.7479 -0.698387 237.613 13.6594 75.3836 -56.1656 -3.90836 PRESSAVG: 1659000 -60.8768 -22.3314 -26.5667 -22.3313 39.8047 -32.2336 -26.5666 -32.2336 7.8002 GPRESSAVG: 1659000 -60.5211 -24.8485 -28.9702 -21.9355 39.7546 -32.1263 -24.5203 -31.3521 7.92264 TIMING: 1659000 CPU: 4810.73, 0.00288924/step Wall: 4810.73, 0.00288924/step, 2.68137 hours remaining, 208.195312 MB of memory in use. ENERGY: 1659000 727.7219 2026.2457 1951.0670 113.8685 -206556.6492 17908.3431 0.0000 0.0000 34420.3292 -149409.0738 300.6013 -183829.4031 -149313.9283 298.7644 92.1640 125.7978 556259.7826 -4.4239 -4.2813 PRESSURE: 1659200 26.4313 -105.776 115.284 -105.775 12.4006 58.8679 115.283 58.8672 0.666502 GPRESSURE: 1659200 115.377 -20.3848 140.65 -189.582 -1.02854 148.012 186.328 124.177 21.1086 PRESSAVG: 1659200 -62.5568 -22.9566 -29.0213 -22.9566 78.5912 39.8096 -29.0214 39.8096 -25.1623 GPRESSAVG: 1659200 -61.5643 -22.8509 -28.4239 -21.8294 78.4933 39.8794 -29.8545 40.1466 -25.7613 TIMING: 1659200 CPU: 4811.31, 0.0028735/step Wall: 4811.31, 0.0028735/step, 2.66661 hours remaining, 208.195312 MB of memory in use. ENERGY: 1659200 758.0255 2039.7138 1955.4831 116.2276 -206125.8481 17776.7679 0.0000 0.0000 34249.7149 -149229.9153 299.1113 -183479.6302 -149132.2811 298.5385 13.1661 45.1523 555237.4907 -3.0426 -2.9441 PRESSURE: 1659400 109.312 49.8665 -207.009 49.8655 -32.5287 -48.7695 -207.01 -48.7678 -125.778 GPRESSURE: 1659400 159.823 -16.4402 -174.737 63.8718 -25.8841 -126.708 -243.755 -4.56642 -83.6254 PRESSAVG: 1659400 -15.2395 -40.1695 -6.89544 -40.1696 -4.78143 60.0139 -6.89552 60.0138 37.4873 GPRESSAVG: 1659400 -15.7597 -38.9578 -7.64577 -40.2577 -3.88872 57.4834 -6.59495 61.678 37.3224 TIMING: 1659400 CPU: 4811.88, 0.00287406/step Wall: 4811.88, 0.00287406/step, 2.66697 hours remaining, 208.195312 MB of memory in use. ENERGY: 1659400 756.0631 2113.8571 1966.7866 100.4004 -205987.5681 17798.1418 0.0000 0.0000 34067.6240 -149184.6950 297.5210 -183252.3190 -149083.5999 299.5826 -16.3315 16.7711 557197.1748 5.8221 5.8913 PRESSURE: 1659600 -16.6971 85.0678 31.4688 85.0672 -86.5411 115.485 31.4684 115.486 14.0009 GPRESSURE: 1659600 31.7737 76.7641 -33.2132 157.973 -53.5045 11.0647 47.503 188.368 32.1362 PRESSAVG: 1659600 99.476 -14.9226 54.0894 -14.9226 -13.0769 32.5062 54.0894 32.5062 -81.5133 GPRESSAVG: 1659600 100.04 -14.0019 53.9174 -16.2855 -13.3599 35.3751 53.2912 31.7693 -81.8711 TIMING: 1659600 CPU: 4812.46, 0.00290332/step Wall: 4812.46, 0.00290332/step, 2.69396 hours remaining, 208.195312 MB of memory in use. ENERGY: 1659600 714.5174 2080.3576 1963.4851 113.0994 -206108.2008 17625.9373 0.0000 0.0000 34395.3280 -149215.4759 300.3830 -183610.8040 -149125.2711 298.6884 -29.7458 3.4685 556756.4553 1.6286 1.6030 PRESSURE: 1659800 -184.614 -20.4027 -46.9038 -20.4026 25.1866 -86.7685 -46.9038 -86.7673 -28.4876 GPRESSURE: 1659800 -138.168 -67.5076 -64.6434 -79.8923 41.8997 -140.068 26.2002 -22.5186 0.424236 PRESSAVG: 1659800 33.2454 -51.1631 30.0779 -51.163 50.3491 9.82729 30.0779 9.82726 -42.404 GPRESSAVG: 1659800 34.2288 -52.1487 30.1801 -51.1587 49.6541 9.98771 29.9955 8.06959 -42.5442 TIMING: 1659800 CPU: 4813.04, 0.0028977/step Wall: 4813.04, 0.0028977/step, 2.68858 hours remaining, 208.195312 MB of memory in use. ENERGY: 1659800 737.1636 2062.2234 1964.5631 99.7390 -206073.7897 17845.8779 0.0000 0.0000 34337.7930 -149026.4296 299.8805 -183364.2226 -148926.4304 299.2449 -62.6382 -31.9482 558876.2743 13.7302 13.7796 PRESSURE: 1660000 132.754 -82.6976 74.7335 -82.6953 -22.6728 0.161474 74.7347 0.16147 -93.5671 GPRESSURE: 1660000 125.393 -15.2493 77.9881 -159.561 15.4871 85.6503 17.4379 32.8064 -24.4101 PRESSAVG: 1660000 52.7973 -54.7335 18.663 -54.7335 -87.4301 32.8428 18.663 32.843 -25.1743 GPRESSAVG: 1660000 51.256 -55.815 20.1279 -54.491 -86.7324 30.74 19.308 33.0945 -24.0807 TIMING: 1660000 CPU: 4813.62, 0.00290508/step Wall: 4813.62, 0.00290508/step, 2.69527 hours remaining, 208.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1660000 769.5713 2076.4377 1937.0765 123.1537 -206060.4573 17868.1775 0.0000 0.0000 34275.5193 -149010.5213 299.3366 -183286.0406 -148912.0388 300.0864 5.5046 38.8233 558234.4985 -19.9357 -19.8524 PRESSURE: 1660200 335.857 99.825 31.1717 99.8258 153.917 139.846 31.1709 139.846 149.12 GPRESSURE: 1660200 368.409 83.2205 49.8041 101.588 186.981 128.853 -51.4876 106.292 188.238 PRESSAVG: 1660200 39.2002 -20.2683 50.4556 -20.2683 -41.8415 50.1238 50.4556 50.1239 -6.56191 GPRESSAVG: 1660200 39.0607 -18.6757 48.9217 -19.9437 -42.653 52.4559 50.9805 51.0427 -5.54676 TIMING: 1660200 CPU: 4814.2, 0.00290194/step Wall: 4814.2, 0.00290194/step, 2.6922 hours remaining, 208.261719 MB of memory in use. ENERGY: 1660200 719.0608 2034.5399 1982.2692 114.0195 -206742.9865 18265.5293 0.0000 0.0000 34428.6345 -149198.9333 300.6738 -183627.5678 -149102.9043 299.7110 212.9644 247.8762 556573.6563 -3.0677 -3.0464 LDB: ============= START OF LOAD BALANCING ============== 4817.59 LDB: ============== END OF LOAD BALANCING =============== 4817.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4817.59 LDB: ============= START OF LOAD BALANCING ============== 4817.88 LDB: Largest compute 4820 load 0.023356 is 19.8% of average load 0.117943 LDB: Average compute 0.001743 is 1.5% of average load 0.117943 LDB: TIME 4817.88 LOAD: AVG 0.117943 MAX 0.18049 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.688 MB LDB: TIME 4817.88 LOAD: AVG 0.117943 MAX 0.18049 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.93 MB LDB: TIME 4817.88 LOAD: AVG 0.117943 MAX 0.18049 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.93 MB LDB: ============== END OF LOAD BALANCING =============== 4817.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4817.89 PRESSURE: 1660400 96.2945 171.881 -103.889 171.881 -38.4362 -23.1082 -103.89 -23.1083 48.1474 GPRESSURE: 1660400 120.616 195.316 -229.756 201.304 13.1866 -17.9107 -20.1905 -47.9148 53.6636 PRESSAVG: 1660400 17.5096 -1.36374 14.2644 -1.36383 -58.7025 15.7083 14.2645 15.7082 77.5118 GPRESSAVG: 1660400 18.6322 -2.44609 14.0418 -1.25453 -58.9291 15.7022 15.4425 14.4132 76.3542 TIMING: 1660400 CPU: 4814.79, 0.00294601/step Wall: 4814.79, 0.00294601/step, 2.73292 hours remaining, 208.714844 MB of memory in use. ENERGY: 1660400 752.1529 2136.8302 1945.6823 109.8218 -205856.3024 17760.4929 0.0000 0.0000 34069.7077 -149081.6147 297.5392 -183151.3224 -148986.3396 299.6661 35.3352 62.4889 557230.6960 12.1063 12.0191 PRESSURE: 1660600 -169.93 -15.6633 -18.3804 -15.663 -30.4794 90.1319 -18.3796 90.1318 196.33 GPRESSURE: 1660600 -138.414 -24.0178 -26.8073 68.0131 -0.444701 166.088 -84.5297 16.2844 217.375 PRESSAVG: 1660600 44.0721 14.643 -18.8107 14.643 -99.944 -3.52653 -18.8108 -3.52654 72.8693 GPRESSAVG: 1660600 43.2658 15.3526 -17.2174 13.9195 -98.5797 -3.55192 -20.9299 -2.62749 72.5422 TIMING: 1660600 CPU: 4815.37, 0.00290023/step Wall: 4815.37, 0.00290023/step, 2.69028 hours remaining, 208.714844 MB of memory in use. ENERGY: 1660600 755.4707 2062.1509 1926.0338 100.0645 -206230.4828 17722.7075 0.0000 0.0000 34307.6070 -149356.4484 299.6169 -183664.0554 -149261.3060 299.1622 -1.3596 26.1723 555561.4448 5.6658 5.7428 PRESSURE: 1660800 -81.5095 12.3318 -32.4929 12.3311 -240.69 37.7807 -32.493 37.7812 -195.805 GPRESSURE: 1660800 -62.8924 22.3938 -77.5187 -5.40562 -193.894 14.8873 -28.4373 -0.8569 -184.08 PRESSAVG: 1660800 -32.4798 24.7827 -20.7076 24.7827 33.5617 -6.15226 -20.7076 -6.15233 14.6404 GPRESSAVG: 1660800 -31.7785 25.1108 -22.9237 25.1904 33.3797 -5.58297 -19.9842 -6.96406 14.2106 TIMING: 1660800 CPU: 4815.95, 0.00289607/step Wall: 4815.95, 0.00289607/step, 2.68627 hours remaining, 208.714844 MB of memory in use. ENERGY: 1660800 817.3703 2109.3415 1952.3985 132.9288 -206123.3927 17650.4424 0.0000 0.0000 34190.0414 -149270.8698 298.5901 -183460.9112 -149175.8531 299.2721 -172.6681 -146.9555 555416.4576 5.2408 5.2706 PRESSURE: 1661000 -30.4699 84.7586 -67.0419 84.7595 105.083 45.3843 -67.0425 45.387 112.694 GPRESSURE: 1661000 41.9084 113.879 -146.938 -14.1966 142.788 54.1628 -24.7324 -1.22886 121.948 PRESSAVG: 1661000 -5.61851 17.7477 -30.6568 17.7478 71.9147 40.251 -30.6567 40.2509 -44.5779 GPRESSAVG: 1661000 -5.86466 17.8823 -30.3251 17.5475 71.4308 40.515 -30.6349 40.3565 -43.5475 TIMING: 1661000 CPU: 4816.53, 0.00288979/step Wall: 4816.53, 0.00288979/step, 2.68028 hours remaining, 208.714844 MB of memory in use. ENERGY: 1661000 755.2354 2075.7293 1964.9875 117.5918 -206403.2041 17849.8668 0.0000 0.0000 34414.9998 -149224.7935 300.5548 -183639.7933 -149124.2121 299.5735 62.4354 102.2146 555989.4300 7.2394 7.3396 PRESSURE: 1661200 278.446 -166.181 -60.353 -166.18 133.551 17.0886 -60.3527 17.0874 -39.7211 GPRESSURE: 1661200 361.882 -247.521 -94.3337 -168.721 124.785 101.781 -46.3398 -16.1019 4.41254 PRESSAVG: 1661200 27.4141 -28.6752 -63.3253 -28.6752 -45.5589 32.048 -63.3254 32.048 -24.5524 GPRESSAVG: 1661200 28.1137 -29.439 -61.7909 -28.7828 -46.4086 32.7591 -63.8579 31.8951 -23.431 TIMING: 1661200 CPU: 4817.1, 0.00287404/step Wall: 4817.1, 0.00287404/step, 2.66551 hours remaining, 208.714844 MB of memory in use. ENERGY: 1661200 756.4263 2075.2596 1986.6250 119.3392 -206541.1875 17972.0686 0.0000 0.0000 34298.0676 -149333.4012 299.5336 -183631.4688 -149243.9604 299.6108 124.0919 163.6931 555298.5287 -14.2324 -13.9086 PRESSURE: 1661400 285.907 -32.4614 100.414 -32.461 118.751 73.9266 100.415 73.9269 120.856 GPRESSURE: 1661400 301.868 -34.2677 58.3904 3.18823 174.077 103.924 92.8348 92.6536 147.243 PRESSAVG: 1661400 15.6096 -31.3908 41.9927 -31.3909 25.552 9.39528 41.9928 9.39516 11.1245 GPRESSAVG: 1661400 15.2212 -30.6534 41.2884 -32.0667 25.1189 8.82202 44.0526 9.60164 11.2485 TIMING: 1661400 CPU: 4817.68, 0.00288622/step Wall: 4817.68, 0.00288622/step, 2.67665 hours remaining, 208.714844 MB of memory in use. ENERGY: 1661400 710.2735 2070.4371 1936.1927 117.3888 -206442.2760 18073.1259 0.0000 0.0000 34237.3326 -149297.5255 299.0031 -183534.8581 -149200.6426 299.1647 175.1713 207.7293 556750.4669 17.4287 17.1962 PRESSURE: 1661600 123.236 148.056 73.1998 148.055 -171.367 -208.869 73.2001 -208.869 411.811 GPRESSURE: 1661600 124.197 150.283 64.2797 143.76 -135.628 -257.803 70.847 -99.7535 463.312 PRESSAVG: 1661600 -17.4893 0.341092 30.5271 0.341085 -12.8835 4.98157 30.5271 4.98165 -17.6441 GPRESSAVG: 1661600 -17.6198 -0.969117 31.1651 2.04489 -12.4245 3.02505 29.7577 7.97155 -18.2298 TIMING: 1661600 CPU: 4818.25, 0.00286994/step Wall: 4818.25, 0.00286994/step, 2.66139 hours remaining, 208.714844 MB of memory in use. ENERGY: 1661600 744.4211 2059.7477 1980.6156 107.8907 -206249.0257 17925.2195 0.0000 0.0000 34030.7095 -149400.4216 297.1987 -183431.1311 -149310.8779 299.2126 121.2267 150.6268 556352.8606 -16.0056 -16.0914 PRESSURE: 1661800 149.642 38.638 0.463253 38.6379 -297.498 -123.949 0.462226 -123.951 40.107 GPRESSURE: 1661800 182.042 67.6489 -3.37429 28.5527 -256.614 -66.7246 29.9458 -132.071 68.4232 PRESSAVG: 1661800 13.3755 19.1056 19.5902 19.1056 -43.5675 -25.2744 19.5901 -25.2743 62.8359 GPRESSAVG: 1661800 14.0094 18.74 19.2891 18.3086 -43.6782 -22.6989 19.9085 -28.0322 62.7002 TIMING: 1661800 CPU: 4818.83, 0.00286869/step Wall: 4818.83, 0.00286869/step, 2.66007 hours remaining, 208.714844 MB of memory in use. ENERGY: 1661800 769.6461 2057.5608 1949.8784 99.6857 -205989.5847 17686.7717 0.0000 0.0000 34218.7026 -149207.3394 298.8404 -183426.0420 -149114.6569 299.0596 -35.9163 -2.0493 558721.4372 10.8813 11.0105 PRESSURE: 1662000 -63.3596 21.8378 -20.1621 21.8378 -42.6719 17.3096 -20.1633 17.3089 -43.8172 GPRESSURE: 1662000 -6.86853 79.7857 -16.1458 -39.6778 -48.7386 -0.684446 -51.3385 12.4894 6.67154 PRESSAVG: 1662000 24.789 -16.4525 9.46214 -16.4525 -23.2637 -36.1708 9.4621 -36.1707 -11.0835 GPRESSAVG: 1662000 24.9053 -16.9039 10.2859 -16.2636 -23.6348 -35.9763 7.7263 -35.6864 -11.0726 TIMING: 1662000 CPU: 4819.41, 0.00290041/step Wall: 4819.41, 0.00290041/step, 2.68933 hours remaining, 208.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1662000 721.0326 2096.8103 1966.4793 120.1899 -206062.9553 17713.1593 0.0000 0.0000 34159.6092 -149285.6747 298.3244 -183445.2839 -149193.3089 299.3812 -49.9496 -16.3119 557980.4205 -3.1861 -3.2674 PRESSURE: 1662200 -12.2299 25.0307 78.6637 25.0317 -115.797 177.359 78.6642 177.358 -355.457 GPRESSURE: 1662200 38.901 -47.258 37.7132 52.8059 -95.1908 123.388 153.041 219.427 -335.396 PRESSAVG: 1662200 -1.18889 31.3449 -32.7538 31.345 -22.2701 3.03918 -32.7538 3.03934 -14.7176 GPRESSAVG: 1662200 -2.73576 31.3113 -34.2586 31.0262 -21.5444 1.81733 -31.5305 2.25507 -14.1809 TIMING: 1662200 CPU: 4819.99, 0.00289712/step Wall: 4819.99, 0.00289712/step, 2.68611 hours remaining, 208.714844 MB of memory in use. ENERGY: 1662200 719.3513 2107.6004 1943.3178 125.1555 -206041.4654 17691.3961 0.0000 0.0000 34043.7879 -149410.8563 297.3129 -183454.6443 -149312.7043 298.3250 -161.1614 -130.5618 559147.0528 -12.7256 -12.8204 PRESSURE: 1662400 -95.4538 -56.5855 -121.926 -56.5851 49.3521 -49.0087 -121.924 -49.0088 -26.8744 GPRESSURE: 1662400 -43.3411 -21.9062 -102.927 -42.5602 67.8579 17.3966 -150.299 -96.9953 9.44282 PRESSAVG: 1662400 36.2539 26.6645 -19.4949 26.6645 9.10331 72.3395 -19.4948 72.3395 -43.0222 GPRESSAVG: 1662400 37.4302 26.2656 -19.5432 26.9546 9.28601 71.9898 -18.6418 72.6538 -44.4333 TIMING: 1662400 CPU: 4820.57, 0.002908/step Wall: 4820.57, 0.002908/step, 2.69604 hours remaining, 208.714844 MB of memory in use. ENERGY: 1662400 755.4949 2036.3075 1970.0077 116.0716 -206677.5482 18010.3386 0.0000 0.0000 34103.4732 -149685.8546 297.8341 -183789.3278 -149588.1480 298.0476 -24.3253 11.3199 556194.4801 0.7783 0.7609 PRESSURE: 1662600 -23.1827 -15.8016 -64.7905 -15.8008 31.6853 -59.6996 -64.7895 -59.6987 201.981 GPRESSURE: 1662600 12.8295 -100.934 -87.4131 3.79064 76.3801 -33.294 -29.3786 -54.2619 217.955 PRESSAVG: 1662600 39.844 61.9232 44.067 61.9231 5.62354 6.36633 44.0669 6.36629 -31.9653 GPRESSAVG: 1662600 39.8041 61.6561 43.9738 63.3184 5.01012 5.99815 44.5177 7.45653 -31.3721 TIMING: 1662600 CPU: 4821.14, 0.00287551/step Wall: 4821.14, 0.00287551/step, 2.66576 hours remaining, 208.714844 MB of memory in use. ENERGY: 1662600 713.3802 2038.2989 1989.7224 107.2980 -206369.2093 17927.8369 0.0000 0.0000 33945.3869 -149647.2859 296.4535 -183592.6728 -149548.1203 297.8676 70.1611 102.3883 558269.7493 4.5007 4.4807 PRESSURE: 1662800 -395.191 49.1628 1.02701 49.1614 -314.027 -42.5362 1.02739 -42.5347 -205.652 GPRESSURE: 1662800 -328.146 138.038 24.5518 100.944 -286.927 -106.186 -36.765 12.3101 -199.283 PRESSAVG: 1662800 -70.2296 -5.64933 29.0005 -5.64937 16.4785 23.5486 29.0005 23.5486 77.5109 GPRESSAVG: 1662800 -70.0595 -4.69639 30.9633 -5.86629 16.5515 23.5304 27.2509 24.8149 77.2091 TIMING: 1662800 CPU: 4821.72, 0.00288276/step Wall: 4821.72, 0.00288276/step, 2.67232 hours remaining, 208.714844 MB of memory in use. ENERGY: 1662800 735.8757 2087.5324 1948.8621 102.7803 -206236.0078 17513.3772 0.0000 0.0000 34204.1955 -149643.3845 298.7137 -183847.5800 -149540.7899 297.8473 -304.9563 -271.4520 557695.7305 7.9200 7.9004 PRESSURE: 1663000 127.188 -79.8239 -65.3219 -79.8238 -38.1806 -26.8387 -65.3213 -26.8405 -227.758 GPRESSURE: 1663000 122.817 -98.1655 57.3707 -90.1149 -18.1682 -85.9539 -127.506 47.4594 -138.689 PRESSAVG: 1663000 112.103 11.4047 43.4292 11.4047 -60.4548 -30.7901 43.4292 -30.7901 -61.8237 GPRESSAVG: 1663000 111.063 11.4437 41.6736 9.16495 -60.7124 -29.5375 44.2476 -32.0704 -60.316 TIMING: 1663000 CPU: 4822.3, 0.00290257/step Wall: 4822.3, 0.00290257/step, 2.69052 hours remaining, 209.011719 MB of memory in use. ENERGY: 1663000 753.6540 2119.4657 1944.5410 105.7770 -206745.4526 17936.5845 0.0000 0.0000 34224.2357 -149661.1948 298.8888 -183885.4304 -149565.6174 297.5445 -46.2501 -11.3466 557127.8819 -3.3917 -3.3216 PRESSURE: 1663200 81.2051 17.8739 94.1589 17.8737 -9.28168 110.566 94.159 110.567 -296.128 GPRESSURE: 1663200 170.907 -1.49537 81.715 -9.11464 -17.9918 41.2082 159.647 66.2376 -272.638 PRESSAVG: 1663200 18.2989 -6.93876 26.0603 -6.93885 -6.03835 -82.5894 26.0603 -82.5894 -55.4071 GPRESSAVG: 1663200 18.4462 -3.99376 28.097 -6.78833 -5.01174 -81.1981 26.8769 -83.0374 -55.8221 TIMING: 1663200 CPU: 4822.88, 0.00290109/step Wall: 4822.88, 0.00290109/step, 2.68899 hours remaining, 209.011719 MB of memory in use. ENERGY: 1663200 764.1782 2049.8057 1941.2529 105.2261 -206557.5324 17822.7346 0.0000 0.0000 34080.1390 -149794.1959 297.6303 -183874.3349 -149699.9937 298.4205 -74.7347 -39.9078 556120.3105 -14.3822 -14.1292 PRESSURE: 1663400 35.9615 -38.3435 109.038 -38.3436 -110.72 -233.839 109.038 -233.841 -105.9 GPRESSURE: 1663400 32.2025 -40.2804 129.839 -33.9962 -79.1442 -148.859 44.444 -244.088 -35.4444 PRESSAVG: 1663400 57.6622 -30.1708 74.5133 -30.1709 24.3612 12.6628 74.5133 12.6628 -29.8729 GPRESSAVG: 1663400 57.9676 -35.4699 74.6016 -28.6105 24.0543 10.1855 73.425 15.3289 -30.0673 TIMING: 1663400 CPU: 4823.46, 0.00290379/step Wall: 4823.46, 0.00290379/step, 2.69132 hours remaining, 209.011719 MB of memory in use. ENERGY: 1663400 748.2661 2096.8919 1947.1627 119.4048 -206825.1870 17889.3677 0.0000 0.0000 34136.2930 -149887.8007 298.1207 -184024.0937 -149788.5996 298.2066 -60.2196 -27.4620 557467.2709 17.3835 17.3182 PRESSURE: 1663600 197.26 94.5705 -66.9725 94.5692 -117.012 -38.0454 -66.972 -38.0455 -109.185 GPRESSURE: 1663600 222.72 27.6354 -127.389 161.241 -33.6885 -42.9084 -46.9577 9.35286 -122.951 PRESSAVG: 1663600 -29.4451 15.0778 20.6538 15.0777 4.50935 20.5225 20.6538 20.5227 24.9567 GPRESSAVG: 1663600 -30.0304 17.8469 21.555 14.7634 4.73156 20.0662 19.5736 19.8969 24.9577 TIMING: 1663600 CPU: 4824.04, 0.00290147/step Wall: 4824.04, 0.00290147/step, 2.68902 hours remaining, 209.011719 MB of memory in use. ENERGY: 1663600 764.7173 2122.6699 1925.7645 116.2110 -206485.6379 17747.8183 0.0000 0.0000 34048.3796 -149760.0773 297.3530 -183808.4569 -149664.1419 297.4903 -9.6455 22.0267 555354.6666 0.0070 -0.1137 PRESSURE: 1663800 -159.555 97.5402 118.606 97.5408 -123.243 -91.5393 118.606 -91.5415 200.971 GPRESSURE: 1663800 -137.784 172.461 24.3704 143.829 -98.8214 -72.9527 109.485 -94.185 255.017 PRESSAVG: 1663800 103.052 13.5557 52.377 13.5557 -19.2655 -29.7616 52.377 -29.7615 -33.8375 GPRESSAVG: 1663800 104.394 15.9299 52.2092 13.1183 -19.6306 -27.8214 51.0795 -30.3526 -34.5988 TIMING: 1663800 CPU: 4824.62, 0.00290623/step Wall: 4824.62, 0.00290623/step, 2.69327 hours remaining, 209.011719 MB of memory in use. ENERGY: 1663800 739.1807 2084.0274 1939.9415 107.1597 -206827.2156 17760.7035 0.0000 0.0000 34238.7969 -149957.4058 299.0159 -184196.2027 -149867.2531 297.5535 -27.2757 6.1371 554737.2622 16.6498 16.7215 PRESSURE: 1664000 -114.859 -131.003 89.6938 -131.002 152.046 33.656 89.6951 33.656 -14.3766 GPRESSURE: 1664000 -108.347 -208.262 171.537 -78.4125 168.975 -82.6244 -21.1992 89.0214 50.7735 PRESSAVG: 1664000 -30.5792 14.9025 10.7814 14.9024 -53.6897 -38.2465 10.7815 -38.2464 79.1355 GPRESSAVG: 1664000 -31.5944 11.8072 10.437 17.0445 -53.0744 -39.8164 11.2645 -37.7417 79.781 TIMING: 1664000 CPU: 4825.21, 0.00291755/step Wall: 4825.21, 0.00291755/step, 2.70359 hours remaining, 209.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1664000 758.0602 2124.5402 1971.7975 103.8061 -207025.3255 17958.2769 0.0000 0.0000 34345.6468 -149763.1978 299.9491 -184108.8446 -149672.8056 297.6005 7.6036 37.1340 554291.0925 -1.7112 -1.6293 PRESSURE: 1664200 364.096 -57.8755 -48.7533 -57.8754 135.443 146.012 -48.7541 146.011 -31.8935 GPRESSURE: 1664200 348.214 35.2635 -40.5683 -227.031 186.36 122.958 -92.1996 178.865 31.2061 PRESSAVG: 1664200 -36.0739 28.0389 24.6198 28.0388 -9.92612 -18.1258 24.6197 -18.1257 -16.6046 GPRESSAVG: 1664200 -35.3627 29.6994 24.378 27.1148 -9.72795 -17.2898 26.613 -19.8617 -17.2149 TIMING: 1664200 CPU: 4825.79, 0.00289184/step Wall: 4825.79, 0.00289184/step, 2.67961 hours remaining, 209.011719 MB of memory in use. ENERGY: 1664200 699.3841 2049.7796 1964.7715 118.1354 -206694.4123 17933.7525 0.0000 0.0000 34162.8527 -149765.7365 298.3527 -183928.5892 -149668.6099 297.3462 155.8821 188.5933 555326.8303 -20.8682 -20.7685 LDB: ============= START OF LOAD BALANCING ============== 4829.17 LDB: ============== END OF LOAD BALANCING =============== 4829.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4829.17 LDB: ============= START OF LOAD BALANCING ============== 4829.46 LDB: Largest compute 4820 load 0.025083 is 21.3% of average load 0.117880 LDB: Average compute 0.001737 is 1.5% of average load 0.117880 LDB: TIME 4829.46 LOAD: AVG 0.11788 MAX 0.177676 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.707 MB LDB: TIME 4829.46 LOAD: AVG 0.11788 MAX 0.177676 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: TIME 4829.46 LOAD: AVG 0.11788 MAX 0.177676 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4829.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4829.47 PRESSURE: 1664400 -246.298 79.185 120.454 79.1852 -59.5563 213.291 120.454 213.292 -97.0974 GPRESSURE: 1664400 -240.362 152.187 105.214 -4.62566 0.407225 197.161 90.9733 182.061 -49.7174 PRESSAVG: 1664400 -84.5975 20.2525 -28.6844 20.2526 85.1724 -18.8706 -28.6843 -18.8705 37.3556 GPRESSAVG: 1664400 -84.319 20.6709 -29.2655 20.5796 82.7656 -19.9905 -27.4181 -17.8688 39.8198 TIMING: 1664400 CPU: 4826.38, 0.00294955/step Wall: 4826.38, 0.00294955/step, 2.73292 hours remaining, 209.808594 MB of memory in use. ENERGY: 1664400 728.7031 2137.5295 1948.1611 106.5706 -206250.9806 17442.8387 0.0000 0.0000 34164.9249 -149722.2527 298.3708 -183887.1776 -149625.6573 298.3249 -134.3171 -96.5573 554805.5183 12.6435 12.7555 PRESSURE: 1664600 42.6088 -86.1356 132.311 -86.1349 -340.334 -114.869 132.313 -114.868 -132.332 GPRESSURE: 1664600 100.051 -81.9738 72.3485 -150.253 -323.674 -201.028 100.142 -90.9262 -111.892 PRESSAVG: 1664600 18.5029 41.0175 3.70045 41.0176 -24.8786 -12.6477 3.70055 -12.6477 -11.312 GPRESSAVG: 1664600 17.2175 41.1588 3.47542 41.0966 -22.2509 -13.3296 0.350574 -11.4584 -13.4078 TIMING: 1664600 CPU: 4826.95, 0.0028739/step Wall: 4826.95, 0.0028739/step, 2.66267 hours remaining, 209.898438 MB of memory in use. ENERGY: 1664600 696.3967 2012.9810 1989.4987 106.4547 -205864.2115 17282.6000 0.0000 0.0000 34117.9166 -149658.3638 297.9603 -183776.2804 -149561.2592 297.9866 -143.3524 -111.8386 555043.5907 -5.8959 -6.1470 PRESSURE: 1664800 -44.6972 11.5018 -37.7106 11.501 -61.8512 96.7799 -37.7108 96.7804 63.5587 GPRESSURE: 1664800 29.5821 -63.9355 -0.846017 75.6503 -72.1172 42.2423 6.42597 115.419 101.999 PRESSAVG: 1664800 54.4935 17.2556 -28.1832 17.2556 -58.4224 -20.2231 -28.1833 -20.2232 -9.02994 GPRESSAVG: 1664800 55.248 17.3947 -27.7379 16.8985 -58.9853 -20.6174 -26.4706 -21.0786 -8.95836 TIMING: 1664800 CPU: 4827.53, 0.0028779/step Wall: 4827.53, 0.0028779/step, 2.66622 hours remaining, 209.898438 MB of memory in use. ENERGY: 1664800 737.1779 2027.2931 1952.6299 105.3865 -206242.5546 17769.7551 0.0000 0.0000 34100.9206 -149549.3915 297.8118 -183650.3121 -149450.5983 298.6686 -14.3299 19.8211 555066.3603 -4.3196 -4.2319 PRESSURE: 1665000 -91.5714 69.6943 -35.9513 69.6942 32.8795 27.1265 -35.9518 27.1257 -79.34 GPRESSURE: 1665000 -87.7358 59.1188 -3.41745 91.1727 75.9529 39.4172 -96.7964 16.9095 -32.2411 PRESSAVG: 1665000 13.0066 36.9217 -64.8979 36.9218 58.3118 -31.3353 -64.8979 -31.3354 -5.23296 GPRESSAVG: 1665000 13.1273 36.7162 -65.0025 37.9084 58.2726 -28.1354 -64.5564 -31.5435 -5.02077 TIMING: 1665000 CPU: 4828.1, 0.00287606/step Wall: 4828.1, 0.00287606/step, 2.66435 hours remaining, 209.898438 MB of memory in use. ENERGY: 1665000 732.6230 2088.6732 1976.3459 116.0001 -206318.8731 17786.8411 0.0000 0.0000 34167.4460 -149450.9438 298.3928 -183618.3898 -149365.4617 298.8641 -46.0107 -14.6747 557104.1507 22.0285 22.1264 PRESSURE: 1665200 -111.133 -118.607 -14.2359 -118.606 1.4442 -85.9682 -14.236 -85.9664 256.44 GPRESSURE: 1665200 -38.6108 -143.169 -18.5386 -54.1635 47.4713 -35.3918 -85.3912 -96.4683 223.71 PRESSAVG: 1665200 -1.49408 51.3018 4.95955 51.3019 -21.6916 -21.8755 4.95952 -21.8754 27.9685 GPRESSAVG: 1665200 -2.68487 52.9235 3.85996 53.256 -20.3695 -22.2321 5.41629 -21.9539 27.5593 TIMING: 1665200 CPU: 4828.67, 0.00286214/step Wall: 4828.67, 0.00286214/step, 2.65129 hours remaining, 209.898438 MB of memory in use. ENERGY: 1665200 755.5667 2048.0431 1960.1322 121.4764 -206186.8861 17796.0378 0.0000 0.0000 34329.2852 -149176.3447 299.8062 -183505.6299 -149080.1729 299.4530 48.9173 77.5234 556539.2766 1.5943 1.5016 PRESSURE: 1665400 -155.759 34.4604 98.5878 34.4603 -133.551 8.1807 98.5866 8.18028 -266.347 GPRESSURE: 1665400 -124.332 20.4512 137.02 113.888 -95.7719 26.3807 128.254 0.469875 -226.965 PRESSAVG: 1665400 -57.5432 48.8457 -12.6362 48.8457 55.5396 25.2141 -12.6362 25.2142 21.9886 GPRESSAVG: 1665400 -57.2885 47.9805 -11.3494 47.7223 54.6369 24.3196 -12.9168 26.8226 22.2914 TIMING: 1665400 CPU: 4829.25, 0.00286949/step Wall: 4829.25, 0.00286949/step, 2.65795 hours remaining, 209.898438 MB of memory in use. ENERGY: 1665400 722.8075 2077.8203 1962.6151 114.3672 -205901.1960 17506.5066 0.0000 0.0000 34152.3370 -149364.7422 298.2609 -183517.0792 -149266.9575 299.3119 -185.2191 -149.0229 558871.0392 6.6617 6.5466 PRESSURE: 1665600 -184.775 143.234 99.6115 143.235 -13.8247 -262.762 99.6123 -262.763 -173.607 GPRESSURE: 1665600 -108.737 237.199 50.5043 93.2601 -3.3749 -213.321 135.427 -274.025 -158.978 PRESSAVG: 1665600 24.7019 83.4167 1.44769 83.4168 -46.9919 -18.0217 1.44783 -18.0217 2.22241 GPRESSAVG: 1665600 25.4467 83.8431 1.24743 84.4521 -48.2995 -18.6217 2.41022 -19.8712 2.37172 TIMING: 1665600 CPU: 4829.83, 0.00289169/step Wall: 4829.83, 0.00289169/step, 2.67835 hours remaining, 209.898438 MB of memory in use. ENERGY: 1665600 754.1302 2068.1710 1963.6877 121.1478 -206268.2045 17731.2645 0.0000 0.0000 34221.8216 -149407.9817 298.8677 -183629.8033 -149314.8478 299.3398 -124.0689 -90.3635 557069.1395 -6.6892 -6.8270 PRESSURE: 1665800 270.759 -17.907 91.6307 -17.9059 323.786 -74.5453 91.632 -74.5448 268.975 GPRESSURE: 1665800 345.622 -61.3988 85.4665 -70.5015 358.677 -129.233 117.613 -81.0909 263.1 PRESSAVG: 1665800 41.7036 -32.3319 -15.2423 -32.3318 -22.171 -21.7535 -15.2423 -21.7534 24.6148 GPRESSAVG: 1665800 40.4198 -32.6591 -14.4067 -33.2467 -21.1769 -19.9851 -16.0166 -21.6592 24.6118 TIMING: 1665800 CPU: 4830.4, 0.00288713/step Wall: 4830.4, 0.00288713/step, 2.67397 hours remaining, 209.898438 MB of memory in use. ENERGY: 1665800 726.6252 2078.8584 1967.9696 114.4149 -206558.8662 18205.9229 0.0000 0.0000 34099.7022 -149365.3731 297.8012 -183465.0753 -149266.0105 298.9152 287.8399 322.4662 557108.0317 14.7158 14.6183 PRESSURE: 1666000 51.9349 71.0481 169.807 71.0468 -12.3309 69.0522 169.807 69.0519 -173.576 GPRESSURE: 1666000 69.2717 86.6536 164.097 140.14 2.52597 66.4778 155.619 71.5332 -121.173 PRESSAVG: 1666000 61.0702 0.590342 -1.43256 0.590365 -40.852 -5.77737 -1.43258 -5.77737 1.60742 GPRESSAVG: 1666000 60.6779 0.828577 -1.76701 0.0821034 -40.4075 -6.66948 -3.84186 -4.15891 2.09762 TIMING: 1666000 CPU: 4830.98, 0.00289984/step Wall: 4830.98, 0.00289984/step, 2.68557 hours remaining, 209.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1666000 736.3231 2139.4216 1949.3361 119.2343 -206228.7122 17747.5458 0.0000 0.0000 34266.9890 -149269.8623 299.2621 -183536.8513 -149176.7598 298.3526 -44.6572 -16.4585 557452.2891 7.2752 7.4560 PRESSURE: 1666200 46.8364 103.715 -167.099 103.716 -177.583 134.668 -167.099 134.667 1.14383 GPRESSURE: 1666200 128.669 95.3241 -127.23 103.719 -169.223 113.124 -113.256 173.545 -1.30345 PRESSAVG: 1666200 40.9175 41.185 -8.89571 41.185 -15.6074 -25.1523 -8.8957 -25.1522 -9.32507 GPRESSAVG: 1666200 42.5489 38.927 -9.50971 41.9845 -15.8448 -26.5308 -6.13113 -25.6782 -10.3251 TIMING: 1666200 CPU: 4831.57, 0.00291114/step Wall: 4831.57, 0.00291114/step, 2.69588 hours remaining, 209.898438 MB of memory in use. ENERGY: 1666200 699.5659 2126.5450 1941.5039 120.8093 -206031.0232 17516.5402 0.0000 0.0000 34257.3134 -149368.7455 299.1776 -183626.0589 -149276.1171 298.9052 -43.2008 -13.9523 556562.0378 5.3284 5.4597 PRESSURE: 1666400 11.3154 35.7835 -92.7175 35.7833 -214.549 56.7884 -92.7159 56.7886 -228.679 GPRESSURE: 1666400 4.59565 -47.3169 -88.5645 29.991 -166.354 14.4267 -77.9119 35.9963 -169.466 PRESSAVG: 1666400 -4.5401 38.8554 -40.6317 38.8553 16.1298 32.9955 -40.6317 32.9955 33.2986 GPRESSAVG: 1666400 -4.85079 39.6395 -40.8954 38.3098 16.4503 30.8576 -43.3304 35.9941 33.3328 TIMING: 1666400 CPU: 4832.14, 0.00289342/step Wall: 4832.14, 0.00289342/step, 2.6793 hours remaining, 209.898438 MB of memory in use. ENERGY: 1666400 729.6581 2110.4750 1930.0417 120.4053 -206355.6319 17703.9583 0.0000 0.0000 34338.0400 -149423.0536 299.8826 -183761.0935 -149323.3298 299.1906 -143.9710 -110.4083 558895.7821 14.9628 14.9775 PRESSURE: 1666600 210.482 -59.2871 7.10432 -59.2868 -189.098 -113.345 7.10573 -113.346 -229.883 GPRESSURE: 1666600 235.975 38.3997 15.7347 -56.931 -142.579 -36.4102 70.8073 -115.985 -199.689 PRESSAVG: 1666600 43.1674 7.18342 -35.7461 7.18343 -21.1082 14.0701 -35.7461 14.0701 -36.4008 GPRESSAVG: 1666600 44.4099 9.82463 -34.8867 6.98197 -22.3211 17.5057 -34.6065 11.2811 -36.1581 TIMING: 1666600 CPU: 4832.72, 0.00290281/step Wall: 4832.72, 0.00290281/step, 2.68784 hours remaining, 209.898438 MB of memory in use. ENERGY: 1666600 723.1229 2109.3020 1931.2451 114.7520 -205993.0157 17533.0651 0.0000 0.0000 34188.5006 -149393.0280 298.5767 -183581.5286 -149304.9957 298.4433 -69.4997 -35.4309 556525.1189 -4.7805 -4.6898 PRESSURE: 1666800 -125.081 -5.68221 218.962 -5.68344 -17.5663 -173.733 218.963 -173.733 23.5083 GPRESSURE: 1666800 -74.3136 39.346 210.967 -68.5165 14.3774 -181.404 216.378 -152.275 30.9063 PRESSAVG: 1666800 64.573 -15.1318 66.0369 -15.1319 -43.2312 -37.4436 66.0369 -37.4436 -30.9909 GPRESSAVG: 1666800 63.2846 -15.853 65.6905 -15.6716 -41.2424 -40.2412 65.1739 -35.6076 -31.7318 TIMING: 1666800 CPU: 4833.3, 0.00289936/step Wall: 4833.3, 0.00289936/step, 2.68448 hours remaining, 209.898438 MB of memory in use. ENERGY: 1666800 722.2420 2082.0956 1909.1791 114.0707 -206333.9467 17825.9797 0.0000 0.0000 34089.0877 -149591.2921 297.7085 -183680.3797 -149494.9121 298.4055 -39.7131 -9.6766 558014.5584 -3.2164 -3.2299 PRESSURE: 1667000 -61.2125 -51.8091 -13.557 -51.8086 -128.09 -219.249 -13.5587 -219.249 33.0855 GPRESSURE: 1667000 -60.3507 -117.947 1.80079 -17.5482 -130.002 -234.054 19.2012 -96.133 134.734 PRESSAVG: 1667000 2.41671 -1.79254 41.14 -1.79257 -7.02174 10.2804 41.1401 10.2804 -10.7453 GPRESSAVG: 1667000 1.55455 -1.2151 40.1839 0.441668 -8.31333 10.3046 42.832 10.1571 -9.0295 TIMING: 1667000 CPU: 4833.88, 0.00290187/step Wall: 4833.88, 0.00290187/step, 2.68665 hours remaining, 209.898438 MB of memory in use. ENERGY: 1667000 706.2007 2041.4605 1927.2158 106.5709 -206295.3168 17674.0020 0.0000 0.0000 34424.9115 -149414.9555 300.6413 -183839.8669 -149317.1148 298.5148 -52.0723 -18.5395 555885.8914 -5.1168 -5.2628 PRESSURE: 1667200 -5.6721 -40.5479 123.692 -40.5478 56.8869 99.1765 123.691 99.1759 218.565 GPRESSURE: 1667200 44.9575 -99.857 108.975 9.97147 75.4853 43.7777 82.9525 133.931 261.634 PRESSAVG: 1667200 -60.3018 -22.0115 43.5855 -22.0116 61.4521 -11.5952 43.5854 -11.5953 -9.70815 GPRESSAVG: 1667200 -59.3608 -22.8507 44.642 -23.8905 62.2023 -9.13275 41.6755 -13.6399 -11.7258 TIMING: 1667200 CPU: 4834.46, 0.00289604/step Wall: 4834.46, 0.00289604/step, 2.68109 hours remaining, 209.898438 MB of memory in use. ENERGY: 1667200 705.1415 2023.3258 1951.7682 110.8099 -206651.9935 18104.9677 0.0000 0.0000 34032.9955 -149722.9850 297.2186 -183755.9805 -149636.3042 297.5499 89.9267 127.3588 557649.0901 -2.8526 -2.9614 PRESSURE: 1667400 340.397 -193.673 11.853 -193.673 148.45 -7.27981 11.8523 -7.27996 -158.598 GPRESSURE: 1667400 327.667 -145.765 -15.2645 -177.123 142.275 -43.1068 84.1812 -38.011 -37.7874 PRESSAVG: 1667400 39.4134 16.074 -14.0924 16.0739 -9.89252 61.3116 -14.0924 61.3115 16.7867 GPRESSAVG: 1667400 40.2615 14.5462 -12.444 18.3487 -10.6255 61.2507 -13.5302 60.4275 16.9378 TIMING: 1667400 CPU: 4835.04, 0.00290412/step Wall: 4835.04, 0.00290412/step, 2.68841 hours remaining, 209.898438 MB of memory in use. ENERGY: 1667400 713.7152 2117.9470 1940.7774 113.2828 -206697.5768 18095.7452 0.0000 0.0000 33968.1754 -149747.9339 296.6525 -183716.1093 -149662.7271 297.4876 110.0829 144.0518 557041.8352 15.4359 15.5246 PRESSURE: 1667600 33.5223 117.243 7.39877 117.243 171.058 100.071 7.39743 100.072 111.856 GPRESSURE: 1667600 52.6861 -50.9162 -3.49139 194.593 211.933 53.7276 15.8406 48.7971 162.725 PRESSAVG: 1667600 40.4408 10.6047 -38.3724 10.6047 -12.0976 2.40312 -38.3724 2.40306 -11.4332 GPRESSAVG: 1667600 39.9925 10.616 -40.3522 12.2481 -11.6635 1.34599 -37.1712 1.05611 -11.6082 TIMING: 1667600 CPU: 4835.62, 0.00289585/step Wall: 4835.62, 0.00289585/step, 2.68059 hours remaining, 209.898438 MB of memory in use. ENERGY: 1667600 776.2178 2138.6398 1938.9227 119.7013 -206833.2999 18014.6167 0.0000 0.0000 34275.2824 -149569.9193 299.3346 -183845.2017 -149474.6593 297.1819 105.4790 142.4478 555008.3081 5.6366 5.5736 PRESSURE: 1667800 -1.97919 15.4008 -81.056 15.4005 50.6883 -9.30958 -81.0563 -9.30838 37.2375 GPRESSURE: 1667800 11.9559 23.6043 -62.4677 -16.3184 66.6322 -85.0395 -64.6422 90.6397 100.638 PRESSAVG: 1667800 2.2684 25.1493 -54.7041 25.1493 12.2243 6.97332 -54.7041 6.97333 -0.776304 GPRESSAVG: 1667800 2.17924 26.0368 -54.586 20.6839 12.3065 6.27955 -55.7755 8.58118 -1.04556 TIMING: 1667800 CPU: 4836.2, 0.00288853/step Wall: 4836.2, 0.00288853/step, 2.67365 hours remaining, 209.898438 MB of memory in use. ENERGY: 1667800 732.2188 2111.5040 1951.6225 117.5597 -206557.5638 17910.7409 0.0000 0.0000 34101.9697 -149631.9482 297.8210 -183733.9179 -149537.1650 298.1326 28.6489 59.7422 555644.9122 4.5721 4.4801 PRESSURE: 1668000 302.78 -6.42933 31.1722 -6.42869 104.078 -144.925 31.1718 -144.925 -100.12 GPRESSURE: 1668000 362.676 -74.7747 129.34 62.9807 98.0434 -112.407 -111.393 -164.17 -71.9506 PRESSAVG: 1668000 28.2287 26.1663 43.2663 26.1663 -1.46191 5.19742 43.2663 5.19746 -45.2462 GPRESSAVG: 1668000 28.751 24.1163 45.7296 29.2637 -1.60177 4.82333 43.3915 5.82605 -45.0747 TIMING: 1668000 CPU: 4836.78, 0.00288121/step Wall: 4836.78, 0.00288121/step, 2.66672 hours remaining, 209.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1668000 724.5585 2113.4815 1949.8019 134.2072 -206663.3019 17921.7104 0.0000 0.0000 34216.4187 -149603.1237 298.8205 -183819.5424 -149504.2659 297.9802 102.2457 129.5896 556333.3588 -6.1598 -5.9751 PRESSURE: 1668200 97.0662 -1.25742 74.6111 -1.25746 156.937 8.46312 74.6122 8.46199 -22.9894 GPRESSURE: 1668200 147.197 -22.8804 6.50553 -97.4869 133.61 -38.0061 86.8124 -11.1596 43.7545 PRESSAVG: 1668200 32.2899 -14.0869 32.5185 -14.087 7.00432 58.2357 32.5186 58.2357 -25.8059 GPRESSAVG: 1668200 31.6928 -14.2952 28.9653 -16.3433 6.17614 59.0651 34.2088 56.3527 -24.4497 TIMING: 1668200 CPU: 4837.35, 0.00287467/step Wall: 4837.35, 0.00287467/step, 2.66051 hours remaining, 209.898438 MB of memory in use. ENERGY: 1668200 714.4888 2091.3177 1930.3684 110.2225 -206626.5324 17975.8379 0.0000 0.0000 33901.8720 -149902.4251 296.0735 -183804.2971 -149816.8297 297.8325 77.0046 108.1874 556967.7131 4.4961 4.4731 LDB: ============= START OF LOAD BALANCING ============== 4840.74 LDB: ============== END OF LOAD BALANCING =============== 4840.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4840.74 LDB: ============= START OF LOAD BALANCING ============== 4841.03 LDB: Largest compute 4820 load 0.024040 is 20.4% of average load 0.117954 LDB: Average compute 0.001730 is 1.5% of average load 0.117954 LDB: TIME 4841.03 LOAD: AVG 0.117954 MAX 0.176316 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.25 MB LDB: TIME 4841.03 LOAD: AVG 0.117954 MAX 0.176316 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: TIME 4841.03 LOAD: AVG 0.117954 MAX 0.176316 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: ============== END OF LOAD BALANCING =============== 4841.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4841.03 PRESSURE: 1668400 -4.29303 -68.2004 165.459 -68.1999 192.915 77.2835 165.459 77.2836 -18.1043 GPRESSURE: 1668400 58.1721 -84.9177 119.602 -79.9032 217.023 -18.0234 156.76 103.629 -10.6097 PRESSAVG: 1668400 17.6269 -23.8839 -46.1505 -23.8839 -52.0627 13.241 -46.1506 13.241 -23.5425 GPRESSAVG: 1668400 19.1459 -22.1663 -46.216 -24.4464 -52.4345 13.407 -47.685 16.453 -24.6187 TIMING: 1668400 CPU: 4837.94, 0.00293306/step Wall: 4837.94, 0.00293306/step, 2.71439 hours remaining, 209.660156 MB of memory in use. ENERGY: 1668400 715.1141 2113.7662 1993.2710 119.1057 -206773.2569 17991.8495 0.0000 0.0000 34037.4382 -149802.7122 297.2574 -183840.1504 -149705.4186 297.0900 56.8393 88.1950 557131.7113 -19.3261 -19.3024 PRESSURE: 1668600 62.306 6.08405 49.611 6.08454 -19.6156 -115.68 49.6113 -115.679 -21.9809 GPRESSURE: 1668600 103.614 -21.2192 122.962 26.6078 22.1637 -106.529 -21.1513 -116.889 -11.8321 PRESSAVG: 1668600 -14.8738 -9.23705 -12.0509 -9.23702 10.7676 -30.7072 -12.051 -30.7071 29.7169 GPRESSAVG: 1668600 -16.1869 -9.40477 -9.13078 -7.52962 11.3914 -31.0304 -13.4153 -32.255 30.4197 TIMING: 1668600 CPU: 4838.52, 0.00288845/step Wall: 4838.52, 0.00288845/step, 2.67294 hours remaining, 209.660156 MB of memory in use. ENERGY: 1668600 724.0561 2140.7176 1964.0607 109.0621 -206617.4651 17868.2978 0.0000 0.0000 34038.4402 -149772.8305 297.2662 -183811.2707 -149676.7856 297.8129 6.9032 37.9818 558661.2568 8.5369 8.5414 PRESSURE: 1668800 -179.931 -67.668 141.567 -67.6671 -34.3148 -208.522 141.567 -208.521 7.26816 GPRESSURE: 1668800 -150.852 -28.4485 160.969 -138.888 -26.0656 -65.2521 129.693 -235.155 57.086 PRESSAVG: 1668800 13.0287 50.8794 -34.794 50.8794 -22.5114 -1.07027 -34.7939 -1.07022 18.8274 GPRESSAVG: 1668800 12.7513 51.8855 -34.816 51.8374 -21.6978 0.400031 -33.6814 -0.230948 18.2079 TIMING: 1668800 CPU: 4839.09, 0.00286923/step Wall: 4839.09, 0.00286923/step, 2.65499 hours remaining, 209.660156 MB of memory in use. ENERGY: 1668800 792.6946 2109.6264 1971.1089 126.6403 -206663.3410 17929.0111 0.0000 0.0000 34051.1631 -149683.0966 297.3773 -183734.2597 -149590.3191 297.0658 -68.9926 -39.9437 558095.8744 3.1149 3.0871 PRESSURE: 1669000 -155.276 129.248 67.7618 129.247 -218.706 -157.191 67.7629 -157.192 63.8486 GPRESSURE: 1669000 -94.0397 167.857 157.351 44.104 -198.446 -226.156 50.5337 -153.826 85.8335 PRESSAVG: 1669000 28.7898 2.98985 -17.3617 2.98986 21.3625 -45.7824 -17.3616 -45.7824 -56.0307 GPRESSAVG: 1669000 30.6719 -0.175266 -19.2333 1.67367 20.271 -48.7277 -15.9664 -43.7871 -56.6882 TIMING: 1669000 CPU: 4839.66, 0.00286865/step Wall: 4839.66, 0.00286865/step, 2.6543 hours remaining, 209.660156 MB of memory in use. ENERGY: 1669000 723.9165 2092.4942 1945.5301 118.0418 -206473.7258 17823.1768 0.0000 0.0000 34095.5429 -149675.0236 297.7649 -183770.5665 -149571.4791 298.0255 -103.3776 -68.8841 559487.6440 -1.9595 -1.9151 PRESSURE: 1669200 -186.784 64.3358 58.8865 64.3369 -273.547 92.3796 58.8867 92.3806 -93.0704 GPRESSURE: 1669200 -168.348 110.293 89.9518 74.0908 -226.197 41.9867 12.9563 70.7419 -68.7667 PRESSAVG: 1669200 5.84752 -17.8469 -2.05258 -17.8468 -32.201 4.34909 -2.05258 4.34913 19.2231 GPRESSAVG: 1669200 6.14382 -14.9225 -0.65514 -19.0528 -31.6515 6.3721 -4.62691 1.82551 18.4019 TIMING: 1669200 CPU: 4840.24, 0.00288328/step Wall: 4840.24, 0.00288328/step, 2.66768 hours remaining, 209.660156 MB of memory in use. ENERGY: 1669200 767.5017 2118.6729 1956.3093 114.4049 -206280.9155 17696.3657 0.0000 0.0000 34307.6020 -149320.0590 299.6168 -183627.6610 -149226.3784 298.4791 -184.4669 -154.4373 557870.0313 -2.3768 -2.3686 PRESSURE: 1669400 -164.131 -47.3948 226.866 -47.3957 86.0818 -57.1592 226.867 -57.1584 -103.799 GPRESSURE: 1669400 -99.1298 -45.221 192.711 -26.6864 83.5136 -84.849 206.308 19.0886 -77.9273 PRESSAVG: 1669400 22.2057 5.9809 62.0537 5.98086 -61.905 11.1196 62.0537 11.1195 40.3538 GPRESSAVG: 1669400 20.3623 6.16813 59.1462 6.75994 -60.7589 9.89546 62.6639 11.6145 40.6261 TIMING: 1669400 CPU: 4840.82, 0.00288942/step Wall: 4840.82, 0.00288942/step, 2.67319 hours remaining, 209.660156 MB of memory in use. ENERGY: 1669400 727.7404 2081.0076 1960.1132 113.0334 -206399.1031 17901.4227 0.0000 0.0000 34171.0833 -149444.7023 298.4246 -183615.7857 -149343.7187 299.3894 -60.6160 -31.1812 558257.3040 0.2181 0.0765 PRESSURE: 1669600 -118.581 129.952 88.5416 129.952 32.2477 171.511 88.5413 171.509 114.326 GPRESSURE: 1669600 -89.1019 120.271 85.5116 42.4282 103.91 76.704 138.932 252.179 97.134 PRESSAVG: 1669600 -1.87043 -11.2688 108.932 -11.2687 2.32021 17.498 108.932 17.4981 3.02306 GPRESSAVG: 1669600 -1.54087 -12.4024 111.233 -9.86482 1.48253 16.5363 109.856 16.6709 2.98996 TIMING: 1669600 CPU: 4841.4, 0.00289851/step Wall: 4841.4, 0.00289851/step, 2.68145 hours remaining, 209.660156 MB of memory in use. ENERGY: 1669600 779.7999 2151.3586 1929.3529 121.8423 -206585.3029 17838.7022 0.0000 0.0000 34407.3479 -149356.8991 300.4879 -183764.2469 -149263.8975 299.1606 9.3308 37.3139 556383.8456 1.1576 0.9772 PRESSURE: 1669800 -24.1556 49.6472 -99.0532 49.6483 -126.575 -23.4507 -99.0539 -23.452 -176.462 GPRESSURE: 1669800 49.077 106.788 -121.841 -0.00617391 -74.2974 -0.466651 -52.4169 -61.764 -203.15 PRESSAVG: 1669800 33.2428 3.77074 -28.946 3.7708 -31.8552 -4.76023 -28.946 -4.76025 34.5348 GPRESSAVG: 1669800 34.5121 3.78397 -30.0799 3.1999 -32.443 -2.82015 -27.0882 -5.5331 33.9737 TIMING: 1669800 CPU: 4841.98, 0.00288163/step Wall: 4841.98, 0.00288163/step, 2.66567 hours remaining, 209.660156 MB of memory in use. ENERGY: 1669800 765.2182 2150.4363 1926.9092 120.3237 -206417.9024 17863.2932 0.0000 0.0000 34247.3912 -149344.3305 299.0910 -183591.7217 -149242.9195 299.0436 -109.0644 -76.1233 557558.1320 11.9741 12.0143 PRESSURE: 1670000 273.911 74.5082 144.378 74.5084 122.705 -122.379 144.379 -122.379 85.665 GPRESSURE: 1670000 266.837 31.8287 86.2571 29.7637 141.548 -135.838 121.185 -140.703 164.669 PRESSAVG: 1670000 14.9746 38.7098 34.2994 38.7098 -58.0672 39.0932 34.2994 39.0933 58.4558 GPRESSAVG: 1670000 14.4342 38.2165 33.6261 36.9771 -58.8965 37.9777 32.3954 40.9581 59.8158 TIMING: 1670000 CPU: 4842.55, 0.00288751/step Wall: 4842.55, 0.00288751/step, 2.67095 hours remaining, 209.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1670000 728.8200 2125.9552 1940.9895 109.8763 -206860.3498 18170.0675 0.0000 0.0000 34170.2502 -149614.3911 298.4173 -183784.6413 -149512.8880 298.5646 160.7604 191.0178 556608.1093 5.1211 5.1178 PRESSURE: 1670200 -91.1178 -173.953 -0.142984 -173.953 -123.304 -156.654 -0.143975 -156.653 -86.2844 GPRESSURE: 1670200 -94.3017 -135.713 82.2609 -188.332 -89.3434 -116.355 -77.9158 -154.986 -14.6711 PRESSAVG: 1670200 -52.8146 5.2885 -2.3568 5.28862 -34.9855 42.3388 -2.35682 42.3389 43.5059 GPRESSAVG: 1670200 -54.4978 5.0645 0.788945 7.84766 -33.2948 42.4681 -4.62822 40.9417 43.6268 TIMING: 1670200 CPU: 4843.13, 0.00287906/step Wall: 4843.13, 0.00287906/step, 2.66297 hours remaining, 209.660156 MB of memory in use. ENERGY: 1670200 765.8344 2064.6033 1957.7853 110.6348 -206456.6694 17785.0473 0.0000 0.0000 34189.5240 -149583.2403 298.5856 -183772.7643 -149488.8676 297.8987 -100.2353 -66.1054 557551.2604 -14.7647 -14.7219 PRESSURE: 1670400 101.004 -36.1069 86.7507 -36.1057 -73.4201 17.1951 86.7516 17.195 139.877 GPRESSURE: 1670400 135.442 86.9987 120.406 -105.319 -52.5877 2.94714 57.4776 91.5599 186.384 PRESSAVG: 1670400 -51.1726 -18.1861 68.6059 -18.1861 48.1934 47.5923 68.6059 47.5922 54.674 GPRESSAVG: 1670400 -49.3875 -18.1186 66.9436 -18.8546 47.5454 49.6363 69.328 48.3616 53.7782 TIMING: 1670400 CPU: 4843.7, 0.00287058/step Wall: 4843.7, 0.00287058/step, 2.65497 hours remaining, 209.660156 MB of memory in use. ENERGY: 1670400 771.6877 2109.8784 1944.1411 104.7011 -206591.2892 17935.2605 0.0000 0.0000 34212.9694 -149512.6511 298.7904 -183725.6205 -149413.0663 298.3674 55.8203 89.7463 555226.8466 17.2316 17.3120 PRESSURE: 1670600 -37.3713 47.2727 -80.2996 47.2717 -127.848 -137.55 -80.2999 -137.551 -85.5771 GPRESSURE: 1670600 -22.6523 17.7838 -51.0162 39.0867 -83.7609 -52.1333 -104.875 -118.574 -35.9719 PRESSAVG: 1670600 -16.3786 11.6473 30.9613 11.6472 -10.4311 19.5827 30.9613 19.5826 31.9765 GPRESSAVG: 1670600 -16.7467 12.1334 32.7411 10.8222 -9.38722 17.8617 30.1079 18.5814 31.8143 TIMING: 1670600 CPU: 4844.28, 0.00287362/step Wall: 4844.28, 0.00287362/step, 2.65762 hours remaining, 209.660156 MB of memory in use. ENERGY: 1670600 768.7379 2105.8020 1963.2879 116.5066 -205929.0520 17635.9539 0.0000 0.0000 34083.2401 -149255.5234 297.6574 -183338.7636 -149157.7996 298.9370 -83.5989 -47.4617 556289.7294 1.7223 1.8935 PRESSURE: 1670800 -183.838 -42.8431 -144.758 -42.8431 -351.246 -116.278 -144.757 -116.28 65.9528 GPRESSURE: 1670800 -142.436 -71.4305 -47.0681 -58.0032 -300.51 -92.9263 -260.913 -114.597 82.5676 PRESSAVG: 1670800 43.7032 -11.0607 17.0233 -11.0608 -7.66385 -41.3103 17.0233 -41.3104 3.62835 GPRESSAVG: 1670800 44.0454 -11.6334 15.9857 -9.07477 -8.11298 -39.2344 17.8435 -39.2718 4.23451 TIMING: 1670800 CPU: 4844.85, 0.00287487/step Wall: 4844.85, 0.00287487/step, 2.65861 hours remaining, 209.660156 MB of memory in use. ENERGY: 1670800 763.6877 2103.8585 1978.9356 115.0040 -205979.9901 17710.9775 0.0000 0.0000 34225.0425 -149082.4842 298.8958 -183307.5268 -148987.7518 299.4576 -156.3773 -120.1263 557691.7413 13.2226 13.3890 PRESSURE: 1671000 274.383 81.6468 -83.6878 81.6466 -277.176 109.977 -83.687 109.978 -11.7318 GPRESSURE: 1671000 293.839 185.008 -184.792 19.0973 -257.705 135.085 22.412 89.5528 44.4252 PRESSAVG: 1671000 51.6454 22.083 -29.6226 22.083 -70.3682 -84.7625 -29.6225 -84.7624 -1.80507 GPRESSAVG: 1671000 52.2672 23.379 -29.1148 19.1953 -70.8498 -85.5138 -28.3415 -84.3259 -1.57851 TIMING: 1671000 CPU: 4845.43, 0.00287244/step Wall: 4845.43, 0.00287244/step, 2.65621 hours remaining, 209.660156 MB of memory in use. ENERGY: 1671000 740.8494 2111.1893 1943.9861 107.3433 -206152.2809 17928.4167 0.0000 0.0000 34099.0007 -149221.4953 297.7951 -183320.4960 -149116.4884 300.0246 -4.8417 26.8530 557699.8916 -6.8426 -6.7204 PRESSURE: 1671200 -246.112 -96.4173 89.311 -96.4168 -5.07416 83.709 89.3104 83.7099 49.0388 GPRESSURE: 1671200 -175.592 -63.3589 90.1906 -110.852 -10.6947 124.254 63.123 126.938 88.2282 PRESSAVG: 1671200 2.77714 56.7563 43.7217 56.7563 23.8348 -9.50493 43.7217 -9.50504 54.5098 GPRESSAVG: 1671200 1.21463 55.6508 43.4829 57.6525 24.952 -10.7754 40.7062 -9.39593 54.8319 TIMING: 1671200 CPU: 4846, 0.00288709/step Wall: 4846, 0.00288709/step, 2.6696 hours remaining, 209.660156 MB of memory in use. ENERGY: 1671200 785.9575 2063.7422 1959.2295 112.1323 -206181.1678 17799.0820 0.0000 0.0000 34338.4299 -149122.5944 299.8860 -183461.0243 -149028.7346 299.6254 -67.3826 -32.6861 557593.9952 27.0406 26.9995 PRESSURE: 1671400 -226.659 33.4795 -20.1844 33.4787 -178.81 -10.4135 -20.184 -10.4132 -143.142 GPRESSURE: 1671400 -150.061 49.8998 -23.284 -79.3003 -148.464 -17.1615 17.5596 8.27191 -171.121 PRESSAVG: 1671400 -43.2351 40.2954 -2.58805 40.2955 -24.0184 -30.8481 -2.58803 -30.848 79.6549 GPRESSAVG: 1671400 -42.2757 39.1194 -4.02399 41.2585 -24.3165 -30.1771 0.648247 -31.7163 78.6783 TIMING: 1671400 CPU: 4846.58, 0.00285523/step Wall: 4846.58, 0.00285523/step, 2.63998 hours remaining, 209.660156 MB of memory in use. ENERGY: 1671400 755.7281 2041.7465 1981.6007 115.6512 -205848.2845 17497.9158 0.0000 0.0000 34253.1339 -149202.5083 299.1411 -183455.6422 -149108.7479 299.4085 -182.8706 -156.5489 558377.3701 4.1338 4.0287 PRESSURE: 1671600 146.905 -28.5834 22.3291 -28.5823 -214.993 -19.1774 22.3305 -19.1794 52.7491 GPRESSURE: 1671600 132.998 -64.2983 122.588 -60.3995 -149.166 -28.1653 -18.2837 -17.2555 111.202 PRESSAVG: 1671600 41.5975 0.423739 16.0098 0.42373 -92.2376 -21.9094 16.0098 -21.9093 52.0636 GPRESSAVG: 1671600 40.715 2.11074 16.7694 -0.0879354 -92.1994 -20.1385 15.341 -23.0926 52.4212 TIMING: 1671600 CPU: 4847.15, 0.00288475/step Wall: 4847.15, 0.00288475/step, 2.66711 hours remaining, 209.792969 MB of memory in use. ENERGY: 1671600 774.7928 2050.4709 1947.4894 122.3149 -206243.7350 17963.1046 0.0000 0.0000 34181.6124 -149203.9499 298.5165 -183385.5624 -149107.3707 299.1662 -5.1128 31.6782 558397.5887 0.4745 0.3123 PRESSURE: 1671800 -101.601 -173.146 -169.629 -173.147 18.764 19.6841 -169.628 19.6834 -92.0236 GPRESSURE: 1671800 -97.3087 -176.029 -134.597 -113.206 83.2706 -71.2426 -119.239 84.5732 -68.7873 PRESSAVG: 1671800 10.0238 5.65585 6.05689 5.65583 -33.9983 28.1148 6.05698 28.1148 -6.00914 GPRESSAVG: 1671800 9.84213 4.50856 5.58643 7.0105 -34.7486 27.6261 8.38016 28.459 -5.62151 TIMING: 1671800 CPU: 4847.73, 0.00288287/step Wall: 4847.73, 0.00288287/step, 2.66521 hours remaining, 209.792969 MB of memory in use. ENERGY: 1671800 766.9750 2075.2874 1945.6677 116.6038 -206272.2355 17893.3573 0.0000 0.0000 34368.9819 -149105.3622 300.1529 -183474.3442 -149020.2349 299.5872 -58.2870 -27.6085 559548.7002 -9.9946 -10.1760 PRESSURE: 1672000 76.8192 -44.1435 22.1455 -44.1446 -83.7786 19.7701 22.146 19.7716 2.08514 GPRESSURE: 1672000 125.633 -31.3941 12.6057 -10.9703 -117.257 145.145 -29.2911 -36.0156 81.0523 PRESSAVG: 1672000 27.2367 41.358 -42.9961 41.358 3.05907 61.8319 -42.9962 61.832 -16.4234 GPRESSAVG: 1672000 27.9698 41.5627 -42.8335 41.7774 2.58751 61.6333 -45.1241 62.4791 -16.8406 TIMING: 1672000 CPU: 4848.31, 0.00289059/step Wall: 4848.31, 0.00289059/step, 2.67219 hours remaining, 209.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1672000 782.6080 2138.8042 1960.2790 120.7199 -206577.3472 18120.1594 0.0000 0.0000 34193.2094 -149261.5675 298.6178 -183454.7769 -149174.6310 299.0361 -1.6248 29.8095 558492.1402 4.6241 4.5722 PRESSURE: 1672200 62.2403 -168.41 74.9217 -168.41 60.4316 -84.4338 74.9217 -84.4342 -53.1299 GPRESSURE: 1672200 61.4887 -178.886 65.5724 -230.229 108.279 -114.014 137.899 8.47398 0.280099 PRESSAVG: 1672200 -34.3636 -4.64859 29.275 -4.64854 51.4348 37.3474 29.275 37.3473 19.1875 GPRESSAVG: 1672200 -34.1982 -2.45705 29.6159 -8.37589 52.0978 36.0547 27.6021 38.1939 18.2941 TIMING: 1672200 CPU: 4848.89, 0.00289556/step Wall: 4848.89, 0.00289556/step, 2.67662 hours remaining, 209.792969 MB of memory in use. ENERGY: 1672200 759.4085 2077.9801 1962.2603 119.2747 -206630.7029 17939.3279 0.0000 0.0000 34458.9185 -149313.5329 300.9383 -183772.4514 -149223.9012 298.9362 23.1807 56.6827 557435.2055 12.0862 12.0646 LDB: ============= START OF LOAD BALANCING ============== 4852.27 LDB: ============== END OF LOAD BALANCING =============== 4852.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4852.27 LDB: ============= START OF LOAD BALANCING ============== 4852.56 LDB: Largest compute 4820 load 0.023068 is 19.6% of average load 0.117939 LDB: Average compute 0.001731 is 1.5% of average load 0.117939 LDB: TIME 4852.57 LOAD: AVG 0.117939 MAX 0.18073 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.887 MB LDB: TIME 4852.57 LOAD: AVG 0.117939 MAX 0.18073 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: TIME 4852.57 LOAD: AVG 0.117939 MAX 0.18073 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: ============== END OF LOAD BALANCING =============== 4852.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4852.57 PRESSURE: 1672400 -73.4902 -202.494 -86.8805 -202.494 9.67761 70.7274 -86.8805 70.7271 -35.8234 GPRESSURE: 1672400 -79.1544 -167.323 -101.078 -179.393 13.0834 115.321 -164.384 24.0003 62.0473 PRESSAVG: 1672400 -84.6001 14.0254 -15.2256 14.0254 80.4467 56.2869 -15.2257 56.2868 -39.4149 GPRESSAVG: 1672400 -84.89 12.071 -15.4481 16.376 80.0329 58.004 -15.1048 53.4514 -38.5815 TIMING: 1672400 CPU: 4849.48, 0.00295988/step Wall: 4849.48, 0.00295988/step, 2.73591 hours remaining, 207.402344 MB of memory in use. ENERGY: 1672400 735.4335 2061.8627 1932.6896 113.7636 -206342.0322 17981.5736 0.0000 0.0000 34327.6267 -149189.0826 299.7917 -183516.7092 -149094.2977 298.7822 -33.2120 -1.3412 560437.6514 -14.5227 -14.4795 PRESSURE: 1672600 -57.9862 30.1076 -0.857048 30.1068 -78.333 29.0506 -0.856973 29.0507 -137.112 GPRESSURE: 1672600 -18.0397 -5.8846 -23.8911 24.4422 -71.1382 -6.42122 30.254 12.4633 -89.3402 PRESSAVG: 1672600 40.8129 -34.5741 0.78194 -34.5742 -3.08205 58.4749 0.781955 58.4749 -11.7709 GPRESSAVG: 1672600 41.587 -34.3509 0.719221 -34.3998 -3.03232 56.1246 3.44113 59.6728 -12.3006 TIMING: 1672600 CPU: 4850.06, 0.00290603/step Wall: 4850.06, 0.00290603/step, 2.68598 hours remaining, 207.605469 MB of memory in use. ENERGY: 1672600 734.5927 2087.9277 1956.5942 121.4597 -206110.1439 17711.1117 0.0000 0.0000 34289.0128 -149209.4450 299.4545 -183498.4578 -149113.4167 300.0210 -91.1436 -59.5060 557190.7153 8.6533 8.7514 PRESSURE: 1672800 197.596 115.324 250.402 115.323 -80.079 -108.965 250.402 -108.967 -98.2472 GPRESSURE: 1672800 239.936 156.461 220.776 138.101 -28.3895 -126.395 326.582 -116.014 -85.639 PRESSAVG: 1672800 56.7666 15.8709 30.583 15.8709 -4.95337 -15.3491 30.583 -15.3491 -57.6016 GPRESSAVG: 1672800 55.7747 16.9168 30.795 16.0319 -4.72673 -14.94 28.6403 -15.4844 -56.9286 TIMING: 1672800 CPU: 4850.64, 0.00288628/step Wall: 4850.64, 0.00288628/step, 2.66756 hours remaining, 207.605469 MB of memory in use. ENERGY: 1672800 756.2780 2092.8913 1950.7459 123.8978 -206268.6046 17900.6067 0.0000 0.0000 34208.1585 -149236.0264 298.7484 -183444.1850 -149130.2483 299.0538 6.4233 41.9692 558186.3345 -1.9294 -1.9602 PRESSURE: 1673000 175.031 -1.54048 32.9664 -1.54081 69.0368 50.0285 32.9662 50.0287 -57.0784 GPRESSURE: 1673000 192.19 -5.91058 6.82 -52.3046 96.0452 15.3682 17.1634 16.3988 0.476485 PRESSAVG: 1673000 57.1751 -11.7141 31.2166 -11.7141 11.2874 -2.79278 31.2166 -2.79282 -6.87954 GPRESSAVG: 1673000 58.4365 -12.1149 33.1214 -13.2441 11.3021 -1.61049 30.3368 -4.19331 -7.90751 TIMING: 1673000 CPU: 4851.22, 0.00291127/step Wall: 4851.22, 0.00291127/step, 2.6905 hours remaining, 207.605469 MB of memory in use. ENERGY: 1673000 731.8599 2092.6770 1930.5406 109.3017 -206472.9682 17924.8867 0.0000 0.0000 34482.3767 -149201.3257 301.1432 -183683.7024 -149105.5941 298.4088 62.3298 96.2371 558968.9991 20.5276 20.6104 PRESSURE: 1673200 -207.369 156.279 -46.7594 156.277 159.237 91.0818 -46.7605 91.0825 113.39 GPRESSURE: 1673200 -130.885 209.766 14.6577 113.638 160.878 28.517 -83.4761 151.698 135.462 PRESSAVG: 1673200 28.3851 -35.636 36.9578 -35.6359 -56.0734 17.5003 36.9579 17.5003 -4.41009 GPRESSAVG: 1673200 27.5884 -36.5124 33.2797 -37.4291 -56.3137 15.5997 39.7524 17.804 -3.36595 TIMING: 1673200 CPU: 4851.8, 0.00289776/step Wall: 4851.8, 0.00289776/step, 2.67785 hours remaining, 207.605469 MB of memory in use. ENERGY: 1673200 719.2334 2081.0538 1962.0480 116.5103 -206252.6520 17950.1583 0.0000 0.0000 34008.8873 -149414.7608 297.0081 -183423.6482 -149319.5766 299.1268 21.7526 55.1514 557764.4011 -10.6995 -10.6971 PRESSURE: 1673400 -146.207 62.2416 -105.854 62.2418 -308.657 179.253 -105.854 179.255 -397.624 GPRESSURE: 1673400 -139.669 -114.057 -63.9959 80.9965 -267.334 191.176 -109.628 133.477 -348.286 PRESSAVG: 1673400 69.9367 -12.9005 27.8393 -12.9005 -36.6683 33.8314 27.8392 33.8314 -21.3062 GPRESSAVG: 1673400 69.7785 -10.8764 30.4328 -11.4914 -34.73 34.387 25.8693 34.7564 -23.167 TIMING: 1673400 CPU: 4852.37, 0.0028681/step Wall: 4852.37, 0.0028681/step, 2.65028 hours remaining, 207.605469 MB of memory in use. ENERGY: 1673400 785.8822 2080.6018 1934.6009 107.8682 -205762.0672 17391.5486 0.0000 0.0000 34101.2043 -149360.3613 297.8143 -183461.5656 -149263.9714 299.5227 -284.1627 -251.7628 558172.5682 3.9874 3.9605 PRESSURE: 1673600 101.242 -143.872 6.14266 -143.873 139.471 191.419 6.14312 191.417 211.043 GPRESSURE: 1673600 119.002 -133.83 13.4379 -200.051 191.234 150.558 -18.5065 161.332 241.13 PRESSAVG: 1673600 62.3717 -24.9011 31.5589 -24.9011 -19.3007 27.3217 31.559 27.3217 -12.1616 GPRESSAVG: 1673600 61.5573 -24.7507 30.8209 -25.0807 -20.8374 27.4251 31.5865 27.7646 -9.67213 TIMING: 1673600 CPU: 4852.95, 0.00288086/step Wall: 4852.95, 0.00288086/step, 2.66191 hours remaining, 207.605469 MB of memory in use. ENERGY: 1673600 728.5777 2067.6204 1952.1201 115.6363 -206707.1544 18044.5364 0.0000 0.0000 34463.6067 -149335.0569 300.9792 -183798.6636 -149240.7804 299.5204 150.5856 183.7886 555668.2477 10.3031 10.3493 PRESSURE: 1673800 -72.1686 -35.8362 -54.3903 -35.8351 202.046 47.733 -54.3917 47.7329 -24.4305 GPRESSURE: 1673800 -39.3315 -19.8737 -37.3543 -106.503 203.671 -9.85862 -67.9948 4.72753 32.5644 PRESSAVG: 1673800 10.1477 -17.3202 -57.5952 -17.3202 27.5156 -46.75 -57.5952 -46.7499 -44.5132 GPRESSAVG: 1673800 10.3489 -19.3788 -58.2204 -16.3357 27.7858 -45.4867 -56.3642 -46.6479 -45.5882 TIMING: 1673800 CPU: 4853.53, 0.00290527/step Wall: 4853.53, 0.00290527/step, 2.6843 hours remaining, 207.605469 MB of memory in use. ENERGY: 1673800 734.7197 2067.7688 1959.6499 107.9949 -206269.9355 17860.3206 0.0000 0.0000 34276.8239 -149262.6576 299.3480 -183539.4815 -149167.6000 299.2633 35.1490 65.6345 557177.0648 -2.2833 -2.4845 PRESSURE: 1674000 -0.454217 -78.84 -12.7651 -78.8398 113.455 208.272 -12.7646 208.273 -110.803 GPRESSURE: 1674000 3.53323 -51.2854 1.72046 -43.0311 169.703 187.143 -91.6895 201.909 -76.2878 PRESSAVG: 1674000 -30.1043 -50.644 -0.836374 -50.644 27.8977 -3.93832 -0.836389 -3.93838 -6.45055 GPRESSAVG: 1674000 -30.421 -50.211 -1.498 -49.8786 27.5784 -6.50683 -0.679866 -2.54719 -6.12016 TIMING: 1674000 CPU: 4854.11, 0.00291378/step Wall: 4854.11, 0.00291378/step, 2.69201 hours remaining, 207.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1674000 773.6257 2077.8595 1986.8820 113.5139 -206253.4020 17869.0447 0.0000 0.0000 34159.5364 -149272.9399 298.3237 -183432.4763 -149173.5161 299.8876 0.7327 32.3161 557912.2269 -2.8857 -2.9876 PRESSURE: 1674200 83.1874 -47.701 -58.2827 -47.7005 -24.6647 55.4785 -58.2828 55.4778 -52.7673 GPRESSURE: 1674200 167.177 -43.6739 31.6241 -22.4277 -43.0881 22.2203 -109.845 27.2781 -15.3632 PRESSAVG: 1674200 -37.2458 4.01097 -25.5299 4.011 -9.48862 33.585 -25.5299 33.585 53.4397 GPRESSAVG: 1674200 -36.4417 5.9869 -24.7638 3.02878 -10.5022 34.8703 -25.9928 31.1776 53.8599 TIMING: 1674200 CPU: 4854.69, 0.00288536/step Wall: 4854.69, 0.00288536/step, 2.66559 hours remaining, 207.605469 MB of memory in use. ENERGY: 1674200 748.6179 2076.4951 1993.2381 101.6413 -206228.0862 17734.5789 0.0000 0.0000 34216.4328 -149357.0820 298.8206 -183573.5148 -149254.2861 298.9164 1.9185 36.2419 556187.5642 2.2351 2.3053 PRESSURE: 1674400 -69.7065 -20.6913 48.8988 -20.6911 -108.421 -164.821 48.898 -164.821 50.9291 GPRESSURE: 1674400 -32.3683 29.8697 -19.3518 -66.8825 -32.8117 -253.19 21.6111 -137.597 45.9962 PRESSAVG: 1674400 -22.3485 42.833 6.3133 42.8329 -24.222 -23.809 6.31329 -23.809 86.0424 GPRESSAVG: 1674400 -22.37 40.4955 6.54909 46.1107 -24.0601 -24.1445 6.15261 -21.5986 85.7636 TIMING: 1674400 CPU: 4855.27, 0.00288102/step Wall: 4855.27, 0.00288102/step, 2.66143 hours remaining, 207.605469 MB of memory in use. ENERGY: 1674400 726.8890 2079.2872 1944.5683 119.9253 -206129.5613 17736.6806 0.0000 0.0000 34255.0813 -149267.1296 299.1581 -183522.2109 -149172.6269 299.1661 -42.3995 -6.3946 556605.4189 13.1573 13.1112 PRESSURE: 1674600 -227.483 -50.3802 -271.903 -50.3804 41.8028 -152.397 -271.903 -152.394 -120.412 GPRESSURE: 1674600 -150.021 -30.9006 -268.456 -40.8137 77.2873 -151.47 -259.394 -157.055 -135.478 PRESSAVG: 1674600 5.27961 22.1059 -11.4813 22.1058 -4.182 -12.0862 -11.4813 -12.0862 24.4286 GPRESSAVG: 1674600 5.30812 20.264 -10.5822 23.0571 -4.29133 -10.7081 -11.1666 -13.6146 24.3387 TIMING: 1674600 CPU: 4855.84, 0.00288927/step Wall: 4855.84, 0.00288927/step, 2.66888 hours remaining, 207.605469 MB of memory in use. ENERGY: 1674600 728.0203 2116.8115 1935.9644 132.2427 -206003.1016 17606.1940 0.0000 0.0000 34348.6315 -149135.2372 299.9751 -183483.8688 -149035.2408 299.7645 -102.0305 -69.4039 557995.4058 8.5087 8.4518 PRESSURE: 1674800 -148.478 -72.4965 40.2195 -72.4974 -55.4243 -156.536 40.2196 -156.538 254.807 GPRESSURE: 1674800 -125.594 -105.203 137.765 -59.5976 -56.4888 -119.202 -27.0414 -194.877 336.701 PRESSAVG: 1674800 44.0541 -14.113 -20.9309 -14.1131 22.587 2.83631 -20.9308 2.83624 -25.0215 GPRESSAVG: 1674800 43.3647 -12.5493 -20.4069 -17.1696 23.1599 4.4799 -22.878 3.32058 -25.3626 TIMING: 1674800 CPU: 4856.42, 0.0028925/step Wall: 4856.42, 0.0028925/step, 2.6717 hours remaining, 207.605469 MB of memory in use. ENERGY: 1674800 751.1153 2107.3304 1953.7694 109.8350 -206253.2062 17821.6783 0.0000 0.0000 34363.7365 -149145.7413 300.1071 -183509.4778 -149052.7978 298.9880 16.9681 51.5393 557566.9830 13.8732 13.7207 PRESSURE: 1675000 -37.6299 -162.542 91.3797 -162.543 -337.487 85.0072 91.3805 85.0074 1.32924 GPRESSURE: 1675000 46.2875 -157.782 -52.7899 -151.251 -380.694 21.638 87.0786 108.843 58.0208 PRESSAVG: 1675000 3.85575 -9.36978 19.5828 -9.36982 -70.8935 -21.9697 19.5827 -21.9698 38.2491 GPRESSAVG: 1675000 4.53706 -8.83765 18.1423 -8.75277 -70.6298 -25.7582 19.4959 -21.458 37.3527 TIMING: 1675000 CPU: 4857, 0.00291537/step Wall: 4857, 0.00291537/step, 2.69266 hours remaining, 207.605469 MB of memory in use. ENERGY: 1675000 759.5618 2045.4267 1931.5736 110.1606 -205859.4447 17525.0885 0.0000 0.0000 34238.5677 -149249.0659 299.0139 -183487.6337 -149150.9852 299.0904 -124.5958 -92.1286 555837.7407 -9.5962 -9.5800 PRESSURE: 1675200 -58.5972 -83.0497 89.165 -83.0497 286.039 57.076 89.1642 57.0762 39.6033 GPRESSURE: 1675200 12.4201 -77.5158 94.9749 -88.9892 334.855 -17.1781 125.619 1.98918 11.7592 PRESSAVG: 1675200 12.6653 21.8719 -28.8194 21.872 -39.7584 -27.6445 -28.8193 -27.6445 47.4362 GPRESSAVG: 1675200 12.3226 23.7784 -29.9564 22.1196 -40.0061 -26.3789 -26.6006 -29.5157 47.5713 TIMING: 1675200 CPU: 4857.58, 0.00289891/step Wall: 4857.58, 0.00289891/step, 2.67731 hours remaining, 207.605469 MB of memory in use. ENERGY: 1675200 782.9948 2028.9895 1984.4545 117.9941 -206264.1969 17867.9572 0.0000 0.0000 34134.4779 -149347.3290 298.1049 -183481.8069 -149250.2419 298.8092 89.0151 119.6781 555234.9757 6.7811 6.6292 PRESSURE: 1675400 6.65673 215.14 -60.9693 215.139 152.253 72.0388 -60.9704 72.0384 -0.293036 GPRESSURE: 1675400 23.0724 182.179 -41.512 220.483 190.921 17.3143 -41.619 58.171 38.3809 PRESSAVG: 1675400 11.7877 1.82841 -12.0247 1.82843 34.7133 76.2869 -12.0248 76.2868 -15.9464 GPRESSAVG: 1675400 12.7046 -0.679461 -10.7608 0.807518 33.566 74.5155 -12.4437 76.559 -15.5925 TIMING: 1675400 CPU: 4858.16, 0.00288027/step Wall: 4858.16, 0.00288027/step, 2.65993 hours remaining, 207.605469 MB of memory in use. ENERGY: 1675400 737.1031 2034.2415 1948.7125 117.8780 -206588.6017 18007.4824 0.0000 0.0000 34379.0419 -149364.1422 300.2407 -183743.1841 -149274.2389 298.8819 52.8722 84.1248 556840.2146 10.1849 10.2260 PRESSURE: 1675600 -88.8114 -41.1183 -174.701 -41.121 5.9447 -106.069 -174.701 -106.069 -52.8947 GPRESSURE: 1675600 -45.4449 23.7471 -225.785 -64.5261 40.0659 -128.091 -177.314 -54.6677 -41.3756 PRESSAVG: 1675600 3.7817 15.4113 -87.9504 15.4114 33.7104 39.0234 -87.9503 39.0233 -38.1276 GPRESSAVG: 1675600 3.32848 16.2514 -88.6337 15.8298 33.6662 40.0013 -88.224 40.0762 -37.3137 TIMING: 1675600 CPU: 4858.73, 0.0028663/step Wall: 4858.73, 0.0028663/step, 2.64687 hours remaining, 207.605469 MB of memory in use. ENERGY: 1675600 718.4996 2087.5337 1932.0330 109.5562 -206293.0708 17711.8024 0.0000 0.0000 34240.5606 -149493.0853 299.0313 -183733.6459 -149401.2042 299.1661 -45.2538 -15.5848 557383.8410 -0.2118 -0.1063 PRESSURE: 1675800 38.3967 37.1023 35.785 37.1013 66.8263 -76.708 35.785 -76.7084 10.0112 GPRESSURE: 1675800 45.2985 63.3136 22.1577 40.5372 92.3386 -59.5332 67.4387 -91.6542 72.534 PRESSAVG: 1675800 -6.5541 27.6922 -12.6856 27.6922 26.4626 26.5437 -12.6856 26.5438 -17.5848 GPRESSAVG: 1675800 -5.775 28.5214 -11.2804 27.6341 26.3401 25.7587 -15.0875 27.3656 -18.4636 TIMING: 1675800 CPU: 4859.31, 0.00287767/step Wall: 4859.31, 0.00287767/step, 2.65721 hours remaining, 207.605469 MB of memory in use. ENERGY: 1675800 714.0752 2080.3313 1957.1363 105.9031 -206184.6528 17816.4416 0.0000 0.0000 34100.8870 -149409.8783 297.8115 -183510.7653 -149319.9685 298.3193 38.4114 70.0570 557586.5032 0.7746 0.7005 PRESSURE: 1676000 -25.9684 -72.3347 -13.5568 -72.3343 -5.23458 -52.7666 -13.5565 -52.7662 81.072 GPRESSURE: 1676000 22.4049 -48.4098 10.086 -157.279 -2.74357 -88.5628 -106.473 -74.9572 141.836 PRESSAVG: 1676000 21.622 16.3746 15.7606 16.3747 -2.18478 40.9 15.7606 40.8999 7.64347 GPRESSAVG: 1676000 20.0292 15.3553 16.1549 16.4764 -1.56851 41.1597 17.5418 39.5293 9.15042 TIMING: 1676000 CPU: 4859.89, 0.00288109/step Wall: 4859.89, 0.00288109/step, 2.66021 hours remaining, 207.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1676000 764.1877 2071.0943 1946.3023 109.8269 -206307.4531 17817.1310 0.0000 0.0000 34369.4239 -149229.4869 300.1567 -183598.9108 -149133.7881 298.6187 16.6230 53.8325 558256.5358 9.0269 9.2037 PRESSURE: 1676200 -517.576 135.217 71.5327 135.218 -139.336 -193.064 71.5325 -193.064 -100.46 GPRESSURE: 1676200 -518.081 38.1195 57.708 121.383 -95.1763 -166.825 72.4481 -138.295 -47.694 PRESSAVG: 1676200 21.59 -39.5105 -24.1376 -39.5104 -32.8705 -33.0011 -24.1375 -33.0011 14.1386 GPRESSAVG: 1676200 21.5611 -38.7897 -27.4339 -40.9619 -32.2128 -33.3247 -23.5116 -32.69 14.0486 TIMING: 1676200 CPU: 4860.46, 0.0028693/step Wall: 4860.46, 0.00286931/step, 2.64917 hours remaining, 207.605469 MB of memory in use. ENERGY: 1676200 794.4982 2011.0394 1941.1205 130.9105 -205949.8165 17547.6331 0.0000 0.0000 34242.1756 -149282.4392 299.0454 -183524.6148 -149186.2250 299.1896 -252.4571 -220.3171 559083.8283 0.9527 1.1323 LDB: ============= START OF LOAD BALANCING ============== 4863.84 LDB: ============== END OF LOAD BALANCING =============== 4863.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4863.84 LDB: ============= START OF LOAD BALANCING ============== 4864.13 LDB: Largest compute 4801 load 0.023279 is 19.7% of average load 0.117899 LDB: Average compute 0.001730 is 1.5% of average load 0.117899 LDB: TIME 4864.13 LOAD: AVG 0.117899 MAX 0.179859 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.195 MB LDB: TIME 4864.14 LOAD: AVG 0.117899 MAX 0.179859 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.398 MB LDB: TIME 4864.14 LOAD: AVG 0.117899 MAX 0.179859 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.398 MB LDB: ============== END OF LOAD BALANCING =============== 4864.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4864.14 PRESSURE: 1676400 -79.0272 5.86836 -32.0398 5.86742 -228.753 1.97332 -32.0406 1.97442 -113.031 GPRESSURE: 1676400 -98.4417 -16.9288 -4.88972 86.5894 -141.166 -78.7192 -24.1577 49.4324 -88.4018 PRESSAVG: 1676400 -3.39205 37.1123 19.2784 37.1122 24.753 34.0551 19.2784 34.0552 -17.9994 GPRESSAVG: 1676400 -2.27438 36.4373 22.7245 37.702 23.9623 34.2662 18.9301 33.3145 -17.8477 TIMING: 1676400 CPU: 4861.05, 0.00293138/step Wall: 4861.05, 0.00293138/step, 2.70632 hours remaining, 208.484375 MB of memory in use. ENERGY: 1676400 726.8787 2072.4448 1954.5427 116.9605 -206023.9953 17639.0850 0.0000 0.0000 34297.6144 -149216.4692 299.5296 -183514.0836 -149121.7941 298.7363 -140.2705 -109.3366 558215.1969 1.1205 1.2800 PRESSURE: 1676600 -65.9429 -27.7105 26.0907 -27.7108 -192.697 -81.9422 26.0908 -81.9409 -29.2572 GPRESSURE: 1676600 13.8172 37.0034 -16.5187 -175.008 -217.714 -38.9249 57.225 -108.378 9.00116 PRESSAVG: 1676600 -22.4627 25.1242 4.83671 25.1242 -27.4409 -38.8382 4.8367 -38.838 34.1944 GPRESSAVG: 1676600 -23.2361 25.0088 3.03834 24.8478 -27.3315 -39.5114 5.94465 -36.3874 34.8226 TIMING: 1676600 CPU: 4861.62, 0.00289692/step Wall: 4861.62, 0.00289692/step, 2.67434 hours remaining, 208.687500 MB of memory in use. ENERGY: 1676600 735.3259 2038.9098 1932.7306 107.6293 -206047.2586 17678.5931 0.0000 0.0000 34236.7418 -149317.3281 298.9980 -183554.0700 -149222.8935 298.5839 -95.9657 -64.9652 558783.8258 -5.2364 -5.2483 PRESSURE: 1676800 134.012 160.221 -320.48 160.221 -46.3135 -87.6547 -320.482 -87.6531 217.454 GPRESSURE: 1676800 187.559 143.56 -285.094 75.4402 -56.4439 -34.8069 -324.811 -129.547 273.938 PRESSAVG: 1676800 13.2839 -27.1795 -1.56806 -27.1795 -32.8964 4.79977 -1.5681 4.79977 -9.80864 GPRESSAVG: 1676800 13.1657 -27.6774 -0.320237 -25.9698 -31.4317 4.78789 -1.23861 5.44593 -10.4692 TIMING: 1676800 CPU: 4862.2, 0.00289887/step Wall: 4862.2, 0.00289887/step, 2.67598 hours remaining, 208.687500 MB of memory in use. ENERGY: 1676800 791.0892 1989.0264 1959.9567 116.7870 -206495.8560 18005.4632 0.0000 0.0000 34326.5520 -149306.9815 299.7823 -183633.5335 -149205.7944 299.4708 101.7173 135.0175 556777.7666 -9.8071 -9.5784 PRESSURE: 1677000 108.666 -18.1541 -74.5966 -18.1546 118.883 34.8487 -74.5971 34.8473 -172.481 GPRESSURE: 1677000 147.366 52.0471 -68.4135 -75.6537 181.208 32.9549 -8.65956 -44.4747 -190.142 PRESSAVG: 1677000 31.7517 10.8631 -63.2405 10.8631 -11.2569 -27.3542 -63.2405 -27.354 -17.3556 GPRESSAVG: 1677000 31.7188 11.4173 -61.9115 9.4642 -11.7494 -27.1689 -62.054 -29.4398 -16.6774 TIMING: 1677000 CPU: 4862.78, 0.00289209/step Wall: 4862.78, 0.00289209/step, 2.66956 hours remaining, 208.687500 MB of memory in use. ENERGY: 1677000 719.0311 2032.9575 1921.9084 112.6826 -206282.8357 17840.7660 0.0000 0.0000 34283.3244 -149372.1657 299.4048 -183655.4901 -149280.3927 298.5843 18.3557 46.1439 557929.4009 1.0464 1.0974 PRESSURE: 1677200 139.545 15.9515 -65.5097 15.9539 122.719 -132.852 -65.5103 -132.851 213.041 GPRESSURE: 1677200 140.221 -25.685 0.958327 114.181 175.383 -145.558 -113.162 -112.232 248.471 PRESSAVG: 1677200 -33.2194 -2.92352 -8.25063 -2.9235 26.1203 -12.145 -8.25054 -12.145 -22.2651 GPRESSAVG: 1677200 -32.6315 -2.04651 -10.853 -1.80926 26.4269 -11.7528 -9.54887 -11.5921 -22.5617 TIMING: 1677200 CPU: 4863.36, 0.00289756/step Wall: 4863.36, 0.00289756/step, 2.67444 hours remaining, 208.687500 MB of memory in use. ENERGY: 1677200 691.9077 2060.8510 1945.6318 105.6421 -206471.6190 17974.6671 0.0000 0.0000 34393.4003 -149299.5190 300.3661 -183692.9193 -149195.3673 298.5816 158.4350 188.0249 556282.3803 -9.7880 -9.5888 PRESSURE: 1677400 -309.011 -45.5866 13.0086 -45.5859 -121.038 4.64821 13.009 4.64741 -155.995 GPRESSURE: 1677400 -285.183 -7.53939 64.2352 36.8423 -81.1332 59.8279 -67.0722 -4.76171 -121.414 PRESSAVG: 1677400 -28.2536 5.29205 -37.5644 5.29204 12.5935 -20.0707 -37.5644 -20.0707 38.3957 GPRESSAVG: 1677400 -29.8413 3.91402 -34.7614 7.69577 12.6189 -22.0127 -38.047 -19.7313 39.2173 TIMING: 1677400 CPU: 4863.94, 0.00289378/step Wall: 4863.94, 0.00289378/step, 2.6708 hours remaining, 208.687500 MB of memory in use. ENERGY: 1677400 768.7243 2017.4170 1966.3190 110.3129 -205956.8443 17577.6739 0.0000 0.0000 34260.3212 -149256.0760 299.2039 -183516.3972 -149163.5023 298.6779 -195.3481 -162.5770 558074.6958 7.5785 7.3317 PRESSURE: 1677600 148.106 30.8993 -58.6987 30.8989 65.6891 -125.031 -58.6984 -125.028 3.67066 GPRESSURE: 1677600 130.439 -5.21871 -48.638 84.6678 71.2114 -160.745 -137.444 -198.806 113.983 PRESSAVG: 1677600 30.2318 7.20959 29.4644 7.20964 -0.404169 6.95625 29.4644 6.9563 -45.7831 GPRESSAVG: 1677600 30.3439 6.42453 29.6614 5.3161 -0.212087 8.97601 28.8241 6.19825 -45.6132 TIMING: 1677600 CPU: 4864.52, 0.00290917/step Wall: 4864.52, 0.00290917/step, 2.68484 hours remaining, 208.687500 MB of memory in use. ENERGY: 1677600 739.3246 2096.9387 1958.9769 117.5697 -206323.2910 17854.1360 0.0000 0.0000 34375.2808 -149181.0642 300.2079 -183556.3451 -149088.2230 299.0837 72.4887 105.2110 556240.2029 -5.3185 -5.1604 PRESSURE: 1677800 -260.521 80.4851 149.881 80.4855 -128.666 -34.3188 149.881 -34.32 -92.4848 GPRESSURE: 1677800 -216.419 78.8943 186.5 81.0957 -116.913 -28.1716 129.063 -4.14016 -52.7278 PRESSAVG: 1677800 5.86944 46.7453 48.604 46.7454 -8.32927 13.4497 48.6041 13.4497 -7.08748 GPRESSAVG: 1677800 7.92591 46.8095 47.3465 46.6023 -9.00545 12.9876 48.7482 12.1453 -8.6815 TIMING: 1677800 CPU: 4865.11, 0.00291441/step Wall: 4865.11, 0.00291441/step, 2.68952 hours remaining, 208.687500 MB of memory in use. ENERGY: 1677800 734.1078 2105.3118 1940.1878 109.5027 -206008.0226 17596.9097 0.0000 0.0000 34290.4986 -149231.5043 299.4675 -183522.0029 -149130.2944 299.4454 -160.5572 -128.6866 556996.7852 -3.1824 -3.2537 PRESSURE: 1678000 -24.5976 -68.3862 107.73 -68.3866 -173.702 8.39036 107.73 8.38868 159.57 GPRESSURE: 1678000 18.7383 -123.354 158.092 -58.7786 -132.784 -0.350154 82.7371 59.2252 165.096 PRESSAVG: 1678000 -5.41296 46.5267 9.76466 46.5268 -24.0959 -7.95147 9.76462 -7.95144 33.5854 GPRESSAVG: 1678000 -5.7158 46.8155 9.00918 45.7784 -25.2153 -6.19431 11.306 -8.4597 34.492 TIMING: 1678000 CPU: 4865.69, 0.00289515/step Wall: 4865.69, 0.00289515/step, 2.67158 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1678000 773.1941 2066.1350 1945.6997 107.7816 -206238.3231 17746.5432 0.0000 0.0000 34346.4037 -149252.5659 299.9557 -183598.9695 -149152.0626 298.8143 -12.9100 17.0166 556722.5604 1.3588 1.1870 PRESSURE: 1678200 -273.266 73.7542 -99.0906 73.7531 98.8758 102.997 -99.0897 102.998 20.5649 GPRESSURE: 1678200 -271.27 88.9098 -78.9862 24.7924 163.196 159.395 -139.232 62.963 64.9109 PRESSAVG: 1678200 -35.4632 8.92122 9.95472 8.9212 17.336 -13.6255 9.95478 -13.6255 29.6298 GPRESSAVG: 1678200 -36.381 7.99028 8.6277 9.21067 17.9708 -15.9389 9.73932 -11.2788 30.5578 TIMING: 1678200 CPU: 4866.26, 0.00287962/step Wall: 4866.26, 0.00287962/step, 2.65709 hours remaining, 208.687500 MB of memory in use. ENERGY: 1678200 747.8379 2068.5590 1953.9379 113.6168 -206532.1223 17851.1907 0.0000 0.0000 34303.9555 -149493.0245 299.5850 -183796.9800 -149395.7485 299.3847 -51.2751 -14.3878 558338.0885 3.8342 4.0492 PRESSURE: 1678400 125.372 -66.4099 -89.5052 -66.4102 290.395 -28.7073 -89.5049 -28.7061 87.771 GPRESSURE: 1678400 147.278 61.5892 -65.9505 -191.429 304.282 -2.60226 -77.7686 -58.3871 141.88 PRESSAVG: 1678400 -25.7501 30.7597 22.9514 30.7598 24.0451 -44.4666 22.9514 -44.4664 -5.28605 GPRESSAVG: 1678400 -26.3128 33.5552 22.1994 28.9596 24.3743 -43.8952 20.478 -46.0977 -5.50587 TIMING: 1678400 CPU: 4866.85, 0.00292424/step Wall: 4866.85, 0.00292424/step, 2.6981 hours remaining, 208.687500 MB of memory in use. ENERGY: 1678400 750.6577 2059.0144 1962.9257 116.7046 -206382.4543 18052.6582 0.0000 0.0000 33860.7552 -149579.7384 295.7144 -183440.4936 -149495.1851 298.0990 167.8460 197.8133 558202.8154 -2.3304 -2.4815 PRESSURE: 1678600 279.996 -41.8363 -191.982 -41.8364 -122.06 -144.364 -191.982 -144.365 -157.289 GPRESSURE: 1678600 315.045 -18.8217 -218.506 -13.7831 -99.1412 -134.06 -189.867 -176.022 -120.992 PRESSAVG: 1678600 -57.2006 5.11087 -27.2737 5.11087 -40.7732 -103.471 -27.2737 -103.471 81.3077 GPRESSAVG: 1678600 -55.4583 4.42797 -23.687 5.85189 -41.9046 -103.566 -24.2339 -103.491 80.1969 TIMING: 1678600 CPU: 4867.43, 0.00290451/step Wall: 4867.43, 0.00290451/step, 2.67973 hours remaining, 208.890625 MB of memory in use. ENERGY: 1678600 747.7114 2041.8006 1922.8683 110.4727 -206572.0881 17853.1649 0.0000 0.0000 34296.5518 -149599.5184 299.5203 -183896.0702 -149509.9929 298.2924 0.2158 31.6374 558082.8075 -5.5554 -5.7220 PRESSURE: 1678800 -108.403 33.8113 -37.8271 33.8125 51.8101 -51.889 -37.8281 -51.8872 -76.9169 GPRESSURE: 1678800 -101.643 19.7969 -40.0066 -7.27814 90.0361 -69.757 25.2869 0.946882 -27.0753 PRESSAVG: 1678800 -11.9163 12.1626 -7.6229 12.1626 -20.197 -64.1667 -7.62301 -64.1668 -13.1408 GPRESSAVG: 1678800 -13.0316 10.2572 -9.75202 14.0761 -18.9472 -63.2966 -9.17651 -62.6588 -13.1478 TIMING: 1678800 CPU: 4868.01, 0.00290113/step Wall: 4868.01, 0.00290113/step, 2.67645 hours remaining, 208.890625 MB of memory in use. ENERGY: 1678800 760.0688 2025.0382 1937.1274 104.3013 -206402.8081 17934.6554 0.0000 0.0000 34069.6099 -149572.0071 297.5384 -183641.6170 -149471.4336 298.1037 -44.5033 -12.8940 559055.1573 -15.0847 -15.0422 PRESSURE: 1679000 -101.046 42.9264 -84.6925 42.9271 13.699 -12.731 -84.6934 -12.7329 -169.04 GPRESSURE: 1679000 -78.0212 -9.31227 -73.5233 119.803 46.3903 -6.58728 -32.9094 95.137 -124.546 PRESSAVG: 1679000 -6.1262 8.74024 50.0455 8.74023 37.8101 -17.3723 50.0456 -17.3723 0.100452 GPRESSAVG: 1679000 -5.198 10.5031 49.9813 4.7772 36.8048 -18.6154 51.192 -16.7384 -0.3919 TIMING: 1679000 CPU: 4868.59, 0.00290084/step Wall: 4868.59, 0.00290084/step, 2.67603 hours remaining, 208.890625 MB of memory in use. ENERGY: 1679000 757.1852 2080.7710 1926.2775 103.0237 -206341.2499 17903.2929 0.0000 0.0000 33979.4013 -149591.2983 296.7506 -183570.6995 -149489.9084 297.6353 -85.4623 -52.0590 558565.6784 10.5948 10.4050 PRESSURE: 1679200 -60.092 134.816 33.1153 134.816 -55.9268 135.816 33.1154 135.817 165.972 GPRESSURE: 1679200 -48.0599 187.77 1.73012 205.725 -26.7484 105.693 35.3379 146.601 221.121 PRESSAVG: 1679200 -41.1553 -9.24128 26.2869 -9.24121 22.991 30.0826 26.2869 30.0825 24.2941 GPRESSAVG: 1679200 -42.245 -9.81485 25.2902 -6.79029 23.0447 28.3036 26.3501 30.8027 25.9919 TIMING: 1679200 CPU: 4869.17, 0.00290505/step Wall: 4869.17, 0.00290505/step, 2.67975 hours remaining, 208.890625 MB of memory in use. ENERGY: 1679200 762.5591 2102.9452 1958.9899 111.2557 -206470.2944 17902.5196 0.0000 0.0000 34120.8339 -149511.1911 297.9857 -183632.0250 -149415.0702 298.1576 16.6511 48.7709 558496.0351 2.0433 2.2639 PRESSURE: 1679400 159.841 -97.565 -17.3874 -97.5657 206.735 -2.46503 -17.3879 -2.4651 -53.2317 GPRESSURE: 1679400 214.286 -72.4745 -11.1882 -137.412 227.568 41.0486 -82.5182 -74.0401 -18.1934 PRESSAVG: 1679400 -23.6989 31.6217 21.1895 31.6217 2.9026 1.84297 21.1896 1.84304 16.4217 GPRESSAVG: 1679400 -23.2897 32.8807 24.3185 31.2311 2.35947 4.68244 18.7642 0.459019 16.687 TIMING: 1679400 CPU: 4869.75, 0.00290795/step Wall: 4869.75, 0.00290795/step, 2.68226 hours remaining, 208.890625 MB of memory in use. ENERGY: 1679400 763.2101 2087.8048 1952.0175 129.5585 -206529.1331 18134.7132 0.0000 0.0000 34136.2173 -149325.6117 298.1201 -183461.8290 -149224.1064 299.2975 104.4479 141.2201 556224.2525 -1.4582 -1.4144 PRESSURE: 1679600 163.859 73.7734 -115.053 73.7736 -101.94 61.3966 -115.053 61.3977 158.407 GPRESSURE: 1679600 246.359 95.2829 -134.567 21.3839 -116.589 155.442 -52.5779 1.9464 160.425 PRESSAVG: 1679600 0.782196 14.5396 12.7962 14.5396 37.1778 -27.3323 12.7962 -27.3323 -19.7636 GPRESSAVG: 1679600 0.888524 13.1337 10.0071 15.6687 38.6207 -28.1739 15.7098 -28.0697 -21.3566 TIMING: 1679600 CPU: 4870.33, 0.00290265/step Wall: 4870.33, 0.00290265/step, 2.67721 hours remaining, 208.890625 MB of memory in use. ENERGY: 1679600 755.2196 2068.1550 1937.2908 111.4254 -206115.5746 17834.0896 0.0000 0.0000 34146.0404 -149263.3537 298.2059 -183409.3942 -149168.2342 299.1937 73.4420 96.7316 557483.2732 6.0655 6.0509 PRESSURE: 1679800 125.053 132.676 -21.9716 132.676 26.0084 17.5654 -21.9726 17.5664 283.173 GPRESSURE: 1679800 123.408 93.7276 -47.205 143.519 96.5286 -37.952 11.7603 106.924 327.556 PRESSAVG: 1679800 -34.8173 -39.1549 -16.0574 -39.1549 -56.4609 -26.5351 -16.0574 -26.535 98.5869 GPRESSAVG: 1679800 -34.8044 -39.31 -14.9668 -39.4568 -56.6491 -27.9311 -19.382 -25.4379 99.0269 TIMING: 1679800 CPU: 4870.91, 0.00290897/step Wall: 4870.91, 0.00290897/step, 2.68288 hours remaining, 208.890625 MB of memory in use. ENERGY: 1679800 733.9504 2111.2885 1947.9614 124.1330 -206486.2467 17967.6188 0.0000 0.0000 34395.6479 -149205.6467 300.3857 -183601.2946 -149111.3027 299.7817 144.7450 182.4975 556596.1690 2.4363 2.5245 PRESSURE: 1680000 -151.945 63.0667 -47.1242 63.0672 -176.603 33.725 -47.1249 33.7258 258.732 GPRESSURE: 1680000 -88.6081 -5.21577 -36.7518 86.328 -113.938 -17.4243 -6.32155 111.421 244.94 PRESSAVG: 1680000 -39.4898 -15.7025 -5.40911 -15.7024 27.5807 25.2484 -5.409 25.2483 39.5814 GPRESSAVG: 1680000 -38.2777 -14.7877 -4.77947 -16.2289 26.4806 25.8562 -3.70705 24.6279 39.4172 TIMING: 1680000 CPU: 4871.5, 0.00291557/step Wall: 4871.5, 0.00291557/step, 2.6888 hours remaining, 208.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1680000 750.9185 2145.9204 1968.6074 117.9125 -206041.5260 17690.4250 0.0000 0.0000 34370.5356 -148997.2065 300.1664 -183367.7421 -148903.0905 300.1086 -23.2721 14.1313 557608.5587 9.2241 9.2067 PRESSURE: 1680200 123.032 -31.2204 -15.5806 -31.2201 230.324 -143.905 -15.5802 -143.905 -100.583 GPRESSURE: 1680200 151.034 -81.3893 -2.88251 -39.8269 243.971 -92.9465 -17.5139 -79.8479 -43.6379 PRESSAVG: 1680200 -4.50605 -12.1399 32.0487 -12.1398 36.5124 -26.0217 32.0488 -26.0217 -21.7118 GPRESSAVG: 1680200 -7.15942 -14.1662 31.4465 -11.1777 38.2025 -25.663 31.5039 -26.0628 -20.687 TIMING: 1680200 CPU: 4872.08, 0.00289963/step Wall: 4872.08, 0.00289963/step, 2.67395 hours remaining, 208.890625 MB of memory in use. ENERGY: 1680200 754.8914 2077.0143 1970.6219 116.3501 -206014.9924 17932.1530 0.0000 0.0000 34159.1506 -149004.8111 298.3204 -183163.9617 -148906.7745 300.3081 84.2576 117.1226 556905.8164 3.4315 3.4520 LDB: ============= START OF LOAD BALANCING ============== 4875.46 LDB: ============== END OF LOAD BALANCING =============== 4875.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4875.46 LDB: ============= START OF LOAD BALANCING ============== 4875.76 LDB: Largest compute 4800 load 0.023232 is 19.7% of average load 0.117941 LDB: Average compute 0.001742 is 1.5% of average load 0.117941 LDB: TIME 4875.76 LOAD: AVG 0.117941 MAX 0.178713 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.41 MB LDB: TIME 4875.76 LOAD: AVG 0.117941 MAX 0.178713 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.41 MB LDB: TIME 4875.76 LOAD: AVG 0.117941 MAX 0.178713 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.41 MB LDB: ============== END OF LOAD BALANCING =============== 4875.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4875.77 PRESSURE: 1680400 -173.816 18.7865 0.815603 18.7879 53.3286 -52.9914 0.814664 -52.9925 -135.41 GPRESSURE: 1680400 -162.501 -26.4049 105.301 -23.4222 78.3304 -28.0675 -47.0399 -20.2536 -77.8718 PRESSAVG: 1680400 13.8824 6.48055 -44.7543 6.48063 -0.908165 -31.5367 -44.7542 -31.5368 -26.9735 GPRESSAVG: 1680400 14.2019 7.07482 -44.3845 5.57201 -2.35507 -30.7971 -45.5886 -32.4963 -25.4496 TIMING: 1680400 CPU: 4872.67, 0.00297208/step Wall: 4872.67, 0.00297209/step, 2.74059 hours remaining, 207.921875 MB of memory in use. ENERGY: 1680400 758.7949 2102.2600 1940.0449 124.2861 -206040.7996 17702.7143 0.0000 0.0000 34428.8692 -148983.8301 300.6759 -183412.6994 -148889.4100 300.1767 -85.2991 -54.0142 557218.4359 -4.6664 -4.5342 PRESSURE: 1680600 -131.455 75.5996 -131.679 75.6 -35.5591 189.189 -131.678 189.191 93.9186 GPRESSURE: 1680600 -59.2704 171.011 -110.283 28.4302 -9.47921 209.363 -136.742 140.078 90.8872 PRESSAVG: 1680600 -10.9005 59.5725 -25 59.5724 -10.014 18.2206 -25 18.2207 53.5198 GPRESSAVG: 1680600 -8.66128 60.2544 -26.9928 59.2196 -9.21698 18.7866 -22.2181 17.2498 49.5692 TIMING: 1680600 CPU: 4873.26, 0.00295493/step Wall: 4873.26, 0.00295493/step, 2.72461 hours remaining, 208.125000 MB of memory in use. ENERGY: 1680600 729.6574 2072.3109 1975.5243 107.0784 -206285.0507 17812.8785 0.0000 0.0000 34507.2289 -149080.3723 301.3602 -183587.6012 -148980.9594 300.2512 -24.3652 7.3792 558416.8182 10.8684 10.5636 PRESSURE: 1680800 41.2122 -16.434 104.808 -16.4342 -125.413 123.241 104.809 123.241 -75.2277 GPRESSURE: 1680800 31.2873 57.4618 111.946 -15.0741 -0.812915 285.501 107.12 114.877 -88.1791 PRESSAVG: 1680800 -8.53852 -0.597506 15.5337 -0.597427 -13.5896 23.0639 15.5336 23.064 9.76424 GPRESSAVG: 1680800 -10.9056 0.820907 16.3665 -3.56073 -12.0968 21.877 14.3925 25.8619 10.9099 TIMING: 1680800 CPU: 4873.85, 0.00294602/step Wall: 4873.85, 0.00294602/step, 2.71623 hours remaining, 208.179688 MB of memory in use. ENERGY: 1680800 762.5479 2124.3789 1970.3663 123.2462 -206098.6466 17725.2673 0.0000 0.0000 34181.8556 -149210.9845 298.5186 -183392.8400 -149116.7578 299.1802 -53.1427 -19.2349 557773.3160 -4.1213 -4.0308 PRESSURE: 1681000 -66.7881 170.708 -79.3545 170.708 -257.732 -10.7386 -79.355 -10.7389 -145.266 GPRESSURE: 1681000 -102.511 123.375 -46.4303 128.266 -261.294 -57.1062 -110.235 90.5057 -19.3635 PRESSAVG: 1681000 41.5959 -32.5403 14.8844 -32.5405 2.78798 -20.8949 14.8844 -20.8949 -38.1621 GPRESSAVG: 1681000 42.2292 -35.8153 15.4509 -28.0923 0.692427 -17.7956 14.0509 -22.3861 -36.9226 TIMING: 1681000 CPU: 4874.43, 0.00289214/step Wall: 4874.43, 0.00289214/step, 2.6664 hours remaining, 208.179688 MB of memory in use. ENERGY: 1681000 803.6056 2109.8460 1957.0096 112.6061 -206281.5781 17779.6477 0.0000 0.0000 34232.9027 -149285.9604 298.9645 -183518.8630 -149190.4362 298.7174 -156.5955 -127.7228 558338.4382 2.0739 1.9997 PRESSURE: 1681200 134.959 5.97747 -34.0586 5.97523 2.87941 53.48 -34.0592 53.4794 -77.2591 GPRESSURE: 1681200 179.735 14.816 -16.5594 2.17906 15.5514 99.5314 -34.6528 157.652 -41.6485 PRESSAVG: 1681200 -1.32714 41.6823 -7.40997 41.6821 -61.1388 -5.30711 -7.40997 -5.30706 38.8682 GPRESSAVG: 1681200 -1.18819 42.9557 -6.1999 39.8875 -61.0231 -6.6873 -5.24382 -6.17327 38.0211 TIMING: 1681200 CPU: 4875.01, 0.00289625/step Wall: 4875.01, 0.00289625/step, 2.67002 hours remaining, 208.179688 MB of memory in use. ENERGY: 1681200 785.1474 2083.8935 1986.3587 107.1208 -206299.4478 17907.4033 0.0000 0.0000 34155.9905 -149273.5337 298.2928 -183429.5242 -149170.9873 299.2476 20.1932 51.2125 557773.3319 -7.8659 -8.0634 PRESSURE: 1681400 -116.893 -162.374 72.7656 -162.373 99.2775 87.6232 72.7664 87.6234 -13.4724 GPRESSURE: 1681400 -73.8963 -262.545 142.088 -150.537 88.2805 214.24 84.3953 4.98515 44.1626 PRESSAVG: 1681400 1.19624 -32.9291 28.5609 -32.9289 -49.0321 2.96019 28.5608 2.96023 98.1639 GPRESSAVG: 1681400 1.29311 -32.2384 31.0591 -33.9928 -49.1878 1.56011 25.9308 4.75896 98.3425 TIMING: 1681400 CPU: 4875.59, 0.00290707/step Wall: 4875.59, 0.00290707/step, 2.67984 hours remaining, 208.179688 MB of memory in use. ENERGY: 1681400 726.0592 2098.6194 1962.7573 112.8964 -206374.8532 17843.7010 0.0000 0.0000 34224.4980 -149406.3220 298.8911 -183630.8200 -149304.2292 299.2279 -10.3625 19.5156 557665.0883 16.7760 16.8159 PRESSURE: 1681600 -105.308 -46.5681 149.133 -46.5677 -107.503 -115.858 149.133 -115.857 -100.126 GPRESSURE: 1681600 -107.35 -23.9077 57.1961 3.24621 -46.8508 -90.7392 239.154 -135.658 -63.4998 PRESSAVG: 1681600 -46.7836 -28.8964 -41.8501 -28.8965 -15.4489 -12.2542 -41.8501 -12.2541 43.9177 GPRESSAVG: 1681600 -46.8767 -29.8295 -46.7077 -25.504 -14.5749 -11.9302 -38.6492 -14.2065 43.2146 TIMING: 1681600 CPU: 4876.17, 0.00288892/step Wall: 4876.17, 0.00288892/step, 2.66294 hours remaining, 208.179688 MB of memory in use. ENERGY: 1681600 746.2288 2125.0659 1951.5429 109.7673 -206525.5275 17860.3916 0.0000 0.0000 34350.7360 -149381.7950 299.9935 -183732.5309 -149285.9099 298.8977 -104.3126 -72.5670 558129.2663 -6.1049 -6.0790 PRESSURE: 1681800 -10.6265 170.057 -52.3462 170.056 -116.259 53.1682 -52.3471 53.1695 -46.3801 GPRESSURE: 1681800 103.213 147.471 -17.2231 133.638 -142.081 13.7235 -152.833 -49.4509 -21.0942 PRESSAVG: 1681800 50.0086 6.01394 -1.76972 6.014 -51.5342 -13.6113 -1.76974 -13.6113 50.6868 GPRESSAVG: 1681800 50.7141 6.30271 -1.37992 4.44935 -52.839 -13.3231 -2.3524 -13.43 50.8417 TIMING: 1681800 CPU: 4876.75, 0.00294142/step Wall: 4876.75, 0.00294142/step, 2.71117 hours remaining, 208.179688 MB of memory in use. ENERGY: 1681800 721.7185 2118.2425 1935.5319 117.4788 -205991.4301 17547.1270 0.0000 0.0000 34278.5849 -149272.7464 299.3634 -183551.3313 -149177.7322 299.1514 -57.7553 -19.9873 556023.1080 16.3870 16.2389 PRESSURE: 1682000 -4.78542 -38.3108 96.9965 -38.311 214.091 123.069 96.9964 123.07 49.5134 GPRESSURE: 1682000 45.676 -55.9838 135.15 -121.277 254.106 170.317 10.0566 183.258 50.5313 PRESSAVG: 1682000 5.91724 12.988 21.8571 12.9879 -6.12807 48.8033 21.8571 48.8033 26.3687 GPRESSAVG: 1682000 5.59188 14.2339 22.4517 11.912 -5.94864 48.5456 22.4251 49.1033 26.5199 TIMING: 1682000 CPU: 4877.34, 0.00291675/step Wall: 4877.34, 0.00291674/step, 2.68827 hours remaining, 208.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1682000 738.9674 2074.0981 1944.8937 107.5232 -206328.0338 17802.0494 0.0000 0.0000 34327.9833 -149332.5187 299.7948 -183660.5020 -149238.3641 298.6391 86.2730 116.7712 556406.7879 8.7193 8.7210 PRESSURE: 1682200 -7.15638 160.958 60.3264 160.959 -160.458 21.974 60.3265 21.9737 -18.2247 GPRESSURE: 1682200 -14.0824 173.299 140.485 155.149 -130.648 49.7486 43.3281 41.1447 41.8598 PRESSAVG: 1682200 -5.92482 -23.7094 18.6605 -23.7095 23.8359 32.5815 18.6605 32.5816 -24.0934 GPRESSAVG: 1682200 -5.40458 -22.8738 19.1607 -21.8339 24.1664 34.4454 15.0191 29.7494 -24.7231 TIMING: 1682200 CPU: 4877.92, 0.00289577/step Wall: 4877.92, 0.00289577/step, 2.66877 hours remaining, 208.179688 MB of memory in use. ENERGY: 1682200 798.2989 2033.7432 1962.1076 113.2953 -206123.4461 17756.6826 0.0000 0.0000 34096.7807 -149362.5378 297.7757 -183459.3184 -149261.5537 299.0255 -61.9465 -34.2903 557213.1619 -2.0607 -1.9871 PRESSURE: 1682400 -162.955 -21.1038 -74.3507 -21.1025 91.6992 52.441 -74.3508 52.4414 -106.471 GPRESSURE: 1682400 -112.2 0.749254 -154.856 -39.9786 95.1335 78.3766 -109.745 33.5813 -73.4661 PRESSAVG: 1682400 -22.3493 -17.8867 -43.0494 -17.8867 -2.09079 53.1735 -43.0494 53.1735 13.3752 GPRESSAVG: 1682400 -23.597 -20.293 -42.8084 -17.6951 -1.88626 53.7288 -41.9972 54.304 13.2874 TIMING: 1682400 CPU: 4878.5, 0.00289079/step Wall: 4878.5, 0.00289079/step, 2.66402 hours remaining, 208.179688 MB of memory in use. ENERGY: 1682400 735.8958 2111.0646 1946.7042 123.4081 -206179.5625 17756.5042 0.0000 0.0000 34217.2101 -149288.7755 298.8274 -183505.9856 -149194.3664 299.0875 -59.2423 -30.1775 558560.6446 -3.6883 -4.0653 PRESSURE: 1682600 -38.0393 -132.029 86.6242 -132.028 290.554 169.396 86.625 169.394 -117.608 GPRESSURE: 1682600 -26.5473 -66.2119 37.9688 -219.184 359.215 123.401 89.2366 182.556 -99.0748 PRESSAVG: 1682600 -4.13473 -27.8146 -15.0934 -27.8146 17.4509 -15.1555 -15.0933 -15.1556 -20.4252 GPRESSAVG: 1682600 -3.20068 -27.7602 -13.0422 -29.0066 16.5912 -16.8492 -15.8881 -14.8161 -20.5804 TIMING: 1682600 CPU: 4879.08, 0.00291281/step Wall: 4879.08, 0.00291281/step, 2.68416 hours remaining, 208.179688 MB of memory in use. ENERGY: 1682600 749.0234 2108.0399 1951.5535 125.4726 -206597.8002 17956.6996 0.0000 0.0000 34406.0400 -149300.9713 300.4765 -183707.0112 -149209.0571 299.0843 44.9687 77.8642 558971.4339 -2.3697 -2.3966 PRESSURE: 1682800 -200.864 2.4721 20.6063 2.47134 -121.894 50.3148 20.6067 50.3149 -56.4581 GPRESSURE: 1682800 -211.821 53.6825 -38.106 -19.1879 -42.6446 72.0706 23.8457 60.4218 -32.6992 PRESSAVG: 1682800 -31.8697 32.0297 -5.6468 32.0297 35.3729 -26.4748 -5.64683 -26.4748 -44.3951 GPRESSAVG: 1682800 -32.0767 33.1854 -8.0611 30.7837 34.6414 -25.64 -2.31071 -27.7557 -43.098 TIMING: 1682800 CPU: 4879.66, 0.00289062/step Wall: 4879.66, 0.00289062/step, 2.66354 hours remaining, 208.179688 MB of memory in use. ENERGY: 1682800 754.1581 2104.1159 1958.1706 110.2882 -206345.0413 17844.1258 0.0000 0.0000 34166.2832 -149407.8996 298.3826 -183574.1827 -149310.9330 298.9241 -126.4053 -95.7217 558441.8453 -13.6306 -13.5111 PRESSURE: 1683000 289.555 -66.4935 80.8479 -66.4934 134.906 -14.5204 80.8487 -14.5199 208.636 GPRESSURE: 1683000 318.787 -45.7291 128.16 -94.9979 162.837 33.6271 44.2668 -159.952 249.802 PRESSAVG: 1683000 11.2259 -62.9084 -8.34278 -62.9085 -20.0301 27.6703 -8.34268 27.6703 19.113 GPRESSAVG: 1683000 10.8208 -63.8523 -7.20569 -61.0881 -18.8907 27.6932 -9.44782 28.3552 18.7991 TIMING: 1683000 CPU: 4880.24, 0.00290453/step Wall: 4880.24, 0.00290453/step, 2.6762 hours remaining, 208.179688 MB of memory in use. ENERGY: 1683000 731.5937 2163.7255 1946.6053 108.3835 -206817.9199 18207.4983 0.0000 0.0000 34420.2663 -149239.8473 300.6007 -183660.1136 -149150.5446 299.3519 211.0326 243.8090 557375.9800 3.4363 3.5764 PRESSURE: 1683200 259.739 75.3897 77.064 75.3898 199.49 6.18673 77.0638 6.18739 11.8977 GPRESSURE: 1683200 327.671 65.3227 106.167 -11.6905 252.899 35.4938 48.9139 -9.87717 0.328482 PRESSAVG: 1683200 66.3615 -25.8138 -8.36434 -25.8139 2.62196 -16.3318 -8.36431 -16.3318 -21.3945 GPRESSAVG: 1683200 67.4471 -24.9214 -7.11979 -26.3149 1.60915 -17.9874 -9.13302 -13.6018 -21.6392 TIMING: 1683200 CPU: 4880.82, 0.00291249/step Wall: 4880.82, 0.00291249/step, 2.68338 hours remaining, 208.179688 MB of memory in use. ENERGY: 1683200 780.2762 2155.0015 1961.7891 104.3050 -206660.3179 18220.7754 0.0000 0.0000 34203.4554 -149234.7153 298.7073 -183438.1707 -149135.2363 299.1214 157.0422 193.6331 556443.4079 15.8630 15.8057 PRESSURE: 1683400 98.3341 74.7062 8.07258 74.7065 231.56 -16.1971 8.07265 -16.1976 2.69215 GPRESSURE: 1683400 192.415 57.5664 37.2967 3.54891 242.92 55.0121 40.6953 42.0464 2.82225 PRESSAVG: 1683400 2.72438 29.8425 99.581 29.8426 -27.6683 0.1103 99.581 0.110324 18.3629 GPRESSAVG: 1683400 3.21833 29.4654 97.6514 28.7845 -27.6452 0.0427313 101.728 -0.98661 18.076 TIMING: 1683400 CPU: 4881.4, 0.00291359/step Wall: 4881.4, 0.00291359/step, 2.68422 hours remaining, 208.179688 MB of memory in use. ENERGY: 1683400 762.5684 2156.4272 1989.0456 112.9249 -206499.9960 18048.2997 0.0000 0.0000 34181.0824 -149249.6478 298.5119 -183430.7302 -149158.6776 299.4255 110.8621 146.0525 556283.1723 -2.1936 -2.1170 PRESSURE: 1683600 -43.9058 -25.7974 114.425 -25.7973 -181.29 1.43779 114.425 1.43865 0.188394 GPRESSURE: 1683600 1.08608 58.6475 108.161 5.23919 -160.875 71.301 104.03 -86.6008 44.302 PRESSAVG: 1683600 -55.8381 -20.3606 44.9258 -20.3607 -1.66078 -24.4656 44.9259 -24.4655 48.999 GPRESSAVG: 1683600 -57.3206 -21.3845 46.771 -18.4655 -0.523754 -23.3512 40.9871 -26.9202 49.3878 TIMING: 1683600 CPU: 4881.99, 0.00293886/step Wall: 4881.99, 0.00293886/step, 2.70734 hours remaining, 208.179688 MB of memory in use. ENERGY: 1683600 754.2903 2095.6578 1938.2515 101.6612 -206034.4446 17651.9720 0.0000 0.0000 34141.8537 -149350.7582 298.1693 -183492.6119 -149249.4172 299.1405 -75.0025 -38.4955 557932.6631 -2.8333 -2.8188 PRESSURE: 1683800 -302.283 -63.6506 -154.111 -63.649 194.574 -95.8746 -154.111 -95.8763 -192.941 GPRESSURE: 1683800 -233.219 -130.413 -140.834 -173.319 214.375 -109.939 -131.274 -44.0436 -173.069 PRESSAVG: 1683800 19.0737 -45.5842 10.4768 -45.5842 -19.9272 7.84292 10.4769 7.84285 7.87785 GPRESSAVG: 1683800 19.3753 -44.8378 9.91411 -46.7471 -20.5415 7.8981 13.5759 9.77822 7.99358 TIMING: 1683800 CPU: 4882.57, 0.00287525/step Wall: 4882.57, 0.00287525/step, 2.64858 hours remaining, 208.179688 MB of memory in use. ENERGY: 1683800 753.1762 2170.7741 1970.7268 120.8489 -206175.5678 17787.7224 0.0000 0.0000 34088.8834 -149283.4358 297.7067 -183372.3192 -149186.4552 299.4243 -100.2167 -63.9708 558144.0165 2.3414 2.2758 PRESSURE: 1684000 -80.5131 -40.1171 23.77 -40.1165 -224.292 2.77294 23.7688 2.77429 82.3884 GPRESSURE: 1684000 -61.4637 -30.6593 21.5897 -27.4996 -177.423 -0.476181 -4.052 35.2707 113.685 PRESSAVG: 1684000 18.1346 -24.1301 50.1142 -24.13 45.6066 -6.77994 50.1142 -6.77989 -29.6445 GPRESSAVG: 1684000 18.0071 -21.7738 48.9422 -23.2782 46.3677 -6.83199 47.902 -5.47591 -31.1095 TIMING: 1684000 CPU: 4883.14, 0.00286103/step Wall: 4883.14, 0.00286103/step, 2.63532 hours remaining, 208.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1684000 758.4689 2109.2098 1944.5437 112.0688 -206283.4020 17834.8740 0.0000 0.0000 34076.9291 -149447.3077 297.6023 -183524.2367 -149352.8418 299.0604 -74.1390 -41.7340 557576.2425 11.3656 11.0884 PRESSURE: 1684200 33.1479 -85.5345 -187.666 -85.5339 -79.8322 159.155 -187.667 159.153 402.732 GPRESSURE: 1684200 78.8812 5.26392 -209.392 -131.448 -33.5203 128.303 -84.6991 233.104 416.421 PRESSAVG: 1684200 -3.96777 21.1037 61.6565 21.1037 -11.1972 -7.63473 61.6564 -7.63482 7.91379 GPRESSAVG: 1684200 -3.40596 19.8276 60.8219 20.0885 -12.4801 -8.30989 63.075 -7.43491 8.76051 TIMING: 1684200 CPU: 4883.71, 0.00287559/step Wall: 4883.71, 0.00287559/step, 2.64858 hours remaining, 208.179688 MB of memory in use. ENERGY: 1684200 735.4232 2096.1710 1953.4039 132.5646 -206252.9866 17835.3147 0.0000 0.0000 34040.2881 -149459.8212 297.2823 -183500.1093 -149375.3060 297.8347 118.6826 153.9274 556955.4641 -2.4171 -2.3752 LDB: ============= START OF LOAD BALANCING ============== 4887.1 LDB: ============== END OF LOAD BALANCING =============== 4887.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4887.1 LDB: ============= START OF LOAD BALANCING ============== 4887.39 LDB: Largest compute 4820 load 0.024903 is 21.1% of average load 0.117989 LDB: Average compute 0.001738 is 1.5% of average load 0.117989 LDB: TIME 4887.39 LOAD: AVG 0.117989 MAX 0.178385 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.383 MB LDB: TIME 4887.39 LOAD: AVG 0.117989 MAX 0.178385 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.586 MB LDB: TIME 4887.39 LOAD: AVG 0.117989 MAX 0.178385 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.586 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4887.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4887.4 PRESSURE: 1684400 61.309 -38.2609 76.4847 -38.2604 358.435 -99.2274 76.4839 -99.2265 28.4142 GPRESSURE: 1684400 121.295 15.5091 77.7986 -58.5329 364.03 -63.0162 59.3304 -137.604 60.8924 PRESSAVG: 1684400 -37.3408 35.205 -65.8217 35.205 48.4867 9.2957 -65.8216 9.29565 13.5697 GPRESSAVG: 1684400 -37.4548 35.5866 -65.7266 36.695 48.5412 8.58157 -66.3535 9.57332 13.5444 TIMING: 1684400 CPU: 4884.3, 0.00294813/step Wall: 4884.3, 0.00294813/step, 2.71523 hours remaining, 208.800781 MB of memory in use. ENERGY: 1684400 735.7574 2056.2348 1961.2014 111.1541 -206985.1432 18251.4158 0.0000 0.0000 34338.4745 -149530.9050 299.8864 -183869.3795 -149432.5206 298.3220 149.3860 182.0725 557505.1309 8.2385 8.2103 PRESSURE: 1684600 46.8541 23.4867 -4.91754 23.4866 -40.1918 -34.5914 -4.91732 -34.5919 -277.58 GPRESSURE: 1684600 0.376822 116.384 -61.1258 -80.6125 16.3087 -19.0726 -10.8451 -21.9968 -183.871 PRESSAVG: 1684600 22.3083 -14.5606 49.666 -14.5606 40.6186 26.0244 49.6659 26.0244 0.461339 GPRESSAVG: 1684600 21.6755 -14.9178 49.3943 -15.5651 41.6069 27.2655 49.5742 24.3765 0.367069 TIMING: 1684600 CPU: 4884.88, 0.00287799/step Wall: 4884.88, 0.00287799/step, 2.65047 hours remaining, 209.113281 MB of memory in use. ENERGY: 1684600 745.2410 2073.4725 1924.2578 109.4223 -206480.2495 17756.3331 0.0000 0.0000 34388.9682 -149482.5546 300.3274 -183871.5228 -149388.8102 298.4955 -90.3059 -55.7283 558502.8795 21.1294 21.2165 PRESSURE: 1684800 -182.506 173.134 -32.6063 173.135 15.4512 -23.1888 -32.606 -23.1896 -330.322 GPRESSURE: 1684800 -96.4906 150.496 47.542 162.022 40.7191 6.54758 37.8189 -55.1939 -348.317 PRESSAVG: 1684800 7.69009 -22.2982 -44.5522 -22.2982 -13.9399 -13.5529 -44.5522 -13.5529 7.52484 GPRESSAVG: 1684800 9.11944 -21.9585 -44.7498 -21.7298 -13.8486 -13.6186 -45.3237 -14.5612 6.55612 TIMING: 1684800 CPU: 4885.46, 0.00289278/step Wall: 4885.46, 0.00289278/step, 2.66393 hours remaining, 209.113281 MB of memory in use. ENERGY: 1684800 738.5451 2056.4476 1970.4725 102.5576 -206503.9417 17872.3496 0.0000 0.0000 34026.8012 -149736.7681 297.1645 -183763.5693 -149633.6157 297.9239 -165.7922 -134.6960 559102.8296 0.4250 0.6090 PRESSURE: 1685000 -191.131 11.4466 -135.114 11.4476 -235.989 22.7774 -135.113 22.7779 -293.351 GPRESSURE: 1685000 -172.754 -58.5166 -62.9984 12.1432 -158.449 50.4174 -107.534 72.1433 -287.627 PRESSAVG: 1685000 -15.0448 -4.08189 -61.1683 -4.08198 -40.2665 -48.5531 -61.1684 -48.5533 22.8993 GPRESSAVG: 1685000 -15.4155 -5.2501 -61.3499 -3.03266 -40.8872 -48.7521 -60.78 -49.4989 23.9536 TIMING: 1685000 CPU: 4886.04, 0.00290486/step Wall: 4886.04, 0.00290486/step, 2.67489 hours remaining, 209.113281 MB of memory in use. ENERGY: 1685000 751.8973 2063.3892 1944.5638 110.5501 -206121.1412 17644.1309 0.0000 0.0000 34037.1602 -149569.4498 297.2550 -183606.6100 -149465.8938 298.4779 -240.1569 -206.2768 559933.6797 -10.8040 -10.7830 PRESSURE: 1685200 152.213 125.632 29.3238 125.634 -164.571 -151.727 29.3236 -151.727 182.157 GPRESSURE: 1685200 160.195 113.203 -48.1819 188.119 -125.822 -188.687 92.4801 -59.8627 245.362 PRESSAVG: 1685200 16.8617 -20.5151 13.9748 -20.5152 -16.6534 -80.4643 13.9748 -80.4644 18.5663 GPRESSAVG: 1685200 16.0008 -19.8913 15.6185 -21.2004 -15.9544 -81.653 13.9252 -78.3404 18.5175 TIMING: 1685200 CPU: 4886.62, 0.00289683/step Wall: 4886.62, 0.00289683/step, 2.66734 hours remaining, 209.113281 MB of memory in use. ENERGY: 1685200 775.2918 2131.3997 1949.2709 120.7425 -206913.9602 18126.4931 0.0000 0.0000 34313.4773 -149497.2848 299.6681 -183810.7621 -149401.5800 298.4290 56.5995 93.2450 558368.4832 6.2582 6.1880 PRESSURE: 1685400 -55.4157 18.4011 6.55149 18.4023 0.471353 -50.1731 6.55038 -50.1727 -368.229 GPRESSURE: 1685400 -12.1687 -50.6137 56.7653 18.283 30.0459 -90.4056 -65.1332 -17.4959 -329.766 PRESSAVG: 1685400 20.5251 -11.2096 -30.4389 -11.2096 -38.924 -7.33548 -30.4388 -7.33551 -40.5874 GPRESSAVG: 1685400 20.3492 -11.594 -31.135 -13.3863 -39.2162 -8.43204 -29.912 -7.11317 -39.6726 TIMING: 1685400 CPU: 4887.2, 0.00290804/step Wall: 4887.2, 0.00290804/step, 2.6775 hours remaining, 209.113281 MB of memory in use. ENERGY: 1685400 799.2669 2044.2802 1977.6804 113.4708 -206364.2061 17745.3584 0.0000 0.0000 34263.7895 -149420.3599 299.2342 -183684.1494 -149328.4619 298.6294 -141.0579 -103.9631 558090.6816 -19.6621 -19.5132 PRESSURE: 1685600 -280.626 21.3989 -123.109 21.3984 132.88 69.6447 -123.109 69.6462 257.578 GPRESSURE: 1685600 -248.084 -58.8513 -195.165 44.1898 155.64 104.251 -67.8422 29.7353 293.121 PRESSAVG: 1685600 -12.7898 -52.0216 -4.90705 -52.0217 17.6149 29.1234 -4.9071 29.1234 21.064 GPRESSAVG: 1685600 -11.952 -51.5197 -3.77965 -51.9816 18.8592 31.3829 -6.37299 29.0463 19.3599 TIMING: 1685600 CPU: 4887.78, 0.0029131/step Wall: 4887.78, 0.0029131/step, 2.68199 hours remaining, 209.113281 MB of memory in use. ENERGY: 1685600 719.8365 2182.1586 1998.4948 108.5603 -206336.0428 17719.6156 0.0000 0.0000 34343.8822 -149263.4949 299.9337 -183607.3771 -149174.4629 299.0522 36.6107 66.8926 556179.8634 8.6297 8.7557 PRESSURE: 1685800 72.2814 -102.082 -242.632 -102.083 14.6917 -172.512 -242.63 -172.511 56.1421 GPRESSURE: 1685800 70.4831 -164.126 -247.413 -90.2123 18.7329 -267.82 -225.075 -189.045 148.13 PRESSAVG: 1685800 -42.3578 8.26669 -17.5976 8.26679 29.3297 -19.3266 -17.5975 -19.3268 19.2606 GPRESSAVG: 1685800 -41.6333 6.85417 -17.087 7.31031 28.0511 -19.5866 -19.0578 -20.7167 19.9055 TIMING: 1685800 CPU: 4888.35, 0.0028698/step Wall: 4888.35, 0.0028698/step, 2.64197 hours remaining, 209.113281 MB of memory in use. ENERGY: 1685800 696.1111 2105.4048 1964.5972 111.4847 -205892.8906 17653.9875 0.0000 0.0000 34176.7039 -149184.6014 298.4737 -183361.3053 -149086.6496 299.8440 47.7051 79.1153 555528.8240 2.0775 2.1078 PRESSURE: 1686000 130.096 -59.9502 115.796 -59.9502 -44.9493 134.975 115.796 134.975 -235.259 GPRESSURE: 1686000 133.968 -196.391 44.4363 56.5718 1.78965 169.14 158.008 101.604 -188.606 PRESSAVG: 1686000 -11.2351 13.2967 -0.0258202 13.2967 -18.8421 -30.5237 -0.0257882 -30.5236 5.75028 GPRESSAVG: 1686000 -11.7938 13.9545 -4.91254 14.5781 -18.3895 -31.5884 4.48494 -28.5254 6.61329 TIMING: 1686000 CPU: 4888.93, 0.00288202/step Wall: 4888.93, 0.00288202/step, 2.65306 hours remaining, 209.113281 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: 1686000 699.8066 2139.1387 1950.2002 111.3292 -206053.3927 17594.1372 0.0000 0.0000 34398.4159 -149160.3649 300.4099 -183558.7808 -149053.7670 299.5154 -50.0372 -17.6163 555751.2084 -8.1090 -7.8567 PRESSURE: 1686200 -85.456 81.0665 136.371 81.0655 -1.81232 -132.138 136.372 -132.137 37.9254 GPRESSURE: 1686200 -27.1623 60.2177 138.435 54.4865 24.6816 -59.8522 183.262 -199.507 66.3261 PRESSAVG: 1686200 -7.03261 45.8779 53.5106 45.8778 -7.93789 -3.94189 53.5107 -3.9418 -1.53378 GPRESSAVG: 1686200 -7.34679 46.1443 57.7146 45.2926 -5.92814 -5.59142 53.0379 -2.05721 -2.62061 TIMING: 1686200 CPU: 4889.51, 0.00290078/step Wall: 4889.51, 0.00290078/step, 2.67016 hours remaining, 209.113281 MB of memory in use. ENERGY: 1686200 748.9318 2075.3366 1961.9890 99.0031 -206373.4809 17923.0640 0.0000 0.0000 34447.5646 -149117.5918 300.8391 -183565.1564 -149019.2500 299.8918 -16.4476 21.2818 556305.6927 -5.5014 -5.2985 PRESSURE: 1686400 -175.382 -102.629 137.836 -102.627 -75.8197 -107.699 137.837 -107.699 -61.4633 GPRESSURE: 1686400 -155.038 -63.5617 196.723 -122.739 -38.8038 -162.639 114.82 -173.006 -17.0467 PRESSAVG: 1686400 18.0406 29.1949 75.3217 29.1949 34.5473 7.96696 75.3218 7.96698 -31.0601 GPRESSAVG: 1686400 16.8757 30.0211 76.0127 30.0985 33.5341 9.84521 71.6091 6.35991 -28.6284 TIMING: 1686400 CPU: 4890.09, 0.00290453/step Wall: 4890.09, 0.00290453/step, 2.67346 hours remaining, 209.113281 MB of memory in use. ENERGY: 1686400 752.4785 2076.2449 1979.9260 110.4664 -206254.2519 17756.7063 0.0000 0.0000 34234.9840 -149343.4458 298.9826 -183578.4298 -149243.4787 299.3858 -104.2216 -70.2962 557570.5633 7.1759 7.2604 PRESSURE: 1686600 185.104 -37.1536 5.67133 -37.152 466.885 -69.8673 5.67177 -69.8686 -50.9292 GPRESSURE: 1686600 212.412 -136.671 -120.25 -0.327845 518.594 -52.4844 25.0913 -105.332 -33.8039 PRESSAVG: 1686600 32.1371 -52.3912 -5.27079 -52.3911 24.8781 -43.4335 -5.2709 -43.4337 -35.6636 GPRESSAVG: 1686600 33.0757 -52.1555 -8.42717 -51.5333 25.2247 -44.1237 -2.82155 -44.7176 -36.9508 TIMING: 1686600 CPU: 4890.67, 0.00290987/step Wall: 4890.67, 0.00290987/step, 2.67822 hours remaining, 209.113281 MB of memory in use. ENERGY: 1686600 752.0180 2103.2529 1938.8743 120.2863 -206626.3123 18074.5065 0.0000 0.0000 34217.2117 -149420.1624 298.8274 -183637.3741 -149323.3436 298.7845 200.3533 232.4008 555387.1600 7.1172 7.1165 PRESSURE: 1686800 68.0203 -31.4009 -104.761 -31.401 -260.587 -66.6808 -104.761 -66.6795 188.937 GPRESSURE: 1686800 118.275 -32.3221 -120.533 -12.4711 -223.411 -89.8902 -85.3794 -29.7164 191.086 PRESSAVG: 1686800 11.0606 35.8911 -28.1665 35.891 7.56409 -51.4952 -28.1665 -51.4951 -19.2956 GPRESSAVG: 1686800 11.0299 33.7253 -25.9474 35.9718 7.84736 -50.5306 -31.1923 -50.3805 -19.2069 TIMING: 1686800 CPU: 4891.25, 0.00289973/step Wall: 4891.25, 0.00289973/step, 2.66872 hours remaining, 209.113281 MB of memory in use. ENERGY: 1686800 762.3699 2051.0095 1950.1440 107.5291 -206524.3390 17896.6946 0.0000 0.0000 34306.5673 -149450.0247 299.6078 -183756.5920 -149355.7357 298.6281 -1.2101 28.6503 554757.0276 -0.2237 -0.1099 PRESSURE: 1687000 -9.37054 48.5517 -205.314 48.5512 -152.465 -60.8682 -205.313 -60.8685 -104.424 GPRESSURE: 1687000 62.9009 70.8733 -137.429 122.418 -121.217 -76.6159 -186.463 -30.8263 -107.797 PRESSAVG: 1687000 -2.63858 65.509 4.29894 65.5091 -74.7084 -63.5159 4.29901 -63.5157 69.5436 GPRESSAVG: 1687000 -1.84791 66.5466 4.12662 65.6364 -75.8516 -66.4898 7.27601 -60.8664 69.7812 TIMING: 1687000 CPU: 4891.83, 0.00290378/step Wall: 4891.83, 0.00290378/step, 2.67228 hours remaining, 209.113281 MB of memory in use. ENERGY: 1687000 731.5232 2046.9279 1953.8069 113.4620 -206315.8511 17720.4090 0.0000 0.0000 34364.8925 -149384.8296 300.1172 -183749.7221 -149292.8569 298.4283 -88.7534 -55.3709 557701.6700 -2.6011 -2.6394 PRESSURE: 1687200 -318.547 -33.1276 26.9918 -33.1266 -249.456 39.2159 26.9913 39.2163 -315.01 GPRESSURE: 1687200 -329.061 -12.2259 20.9673 -128.938 -212.836 58.1907 28.7274 12.1381 -242.572 PRESSAVG: 1687200 -15.7732 -2.52315 -22.364 -2.52314 -65.1983 -60.7062 -22.364 -60.7063 86.2488 GPRESSAVG: 1687200 -15.1649 -2.87579 -22.0069 -3.72051 -65.11 -58.5461 -23.6434 -62.6662 85.8884 TIMING: 1687200 CPU: 4892.41, 0.00289081/step Wall: 4892.41, 0.00289081/step, 2.66018 hours remaining, 209.113281 MB of memory in use. ENERGY: 1687200 732.5850 2159.0503 1936.2799 111.5125 -206341.5187 17581.0752 0.0000 0.0000 34309.2401 -149511.7757 299.6311 -183821.0158 -149415.8521 299.2578 -294.3375 -261.4899 558347.8872 1.7591 1.8712 PRESSURE: 1687400 -53.4837 -117.37 244.546 -117.37 -197.406 -131.503 244.548 -131.503 -245.528 GPRESSURE: 1687400 41.8608 -46.1979 202.368 -155.668 -152.867 -74.7437 228.92 -135.893 -290.825 PRESSAVG: 1687400 36.8209 1.08044 4.8736 1.08045 -68.6672 22.1606 4.87357 22.1607 -25.6023 GPRESSAVG: 1687400 35.4873 2.25394 4.10598 1.07146 -67.8141 23.6357 6.03654 20.565 -24.6107 TIMING: 1687400 CPU: 4892.99, 0.00289476/step Wall: 4892.99, 0.00289476/step, 2.66366 hours remaining, 209.113281 MB of memory in use. ENERGY: 1687400 703.4146 2057.8517 1954.5053 100.6699 -206072.7168 17655.3957 0.0000 0.0000 34033.9199 -149566.9598 297.2267 -183600.8797 -149472.4655 298.4291 -165.4726 -133.9439 558188.8074 -19.1496 -18.9792 PRESSURE: 1687600 -28.445 79.858 125.245 79.8593 -58.7327 41.0749 125.246 41.0719 -35.0754 GPRESSURE: 1687600 -40.0103 68.4815 84.5894 35.1265 4.49442 77.6726 120.765 86.4045 4.73454 PRESSAVG: 1687600 10.4229 -45.3661 19.5994 -45.3661 -5.04789 28.1584 19.5994 28.1584 30.912 GPRESSAVG: 1687600 10.4357 -46.5265 20.178 -44.6635 -4.52041 26.0765 19.9295 29.1246 30.0467 TIMING: 1687600 CPU: 4893.57, 0.00288966/step Wall: 4893.57, 0.00288966/step, 2.65881 hours remaining, 209.113281 MB of memory in use. ENERGY: 1687600 748.9112 2047.1455 1925.9598 109.0867 -206394.9017 17806.9933 0.0000 0.0000 34282.3497 -149474.4555 299.3963 -183756.8052 -149380.2715 298.3768 -40.7510 -10.2604 557823.0064 12.0957 11.9873 PRESSURE: 1687800 334.707 -33.6681 21.9265 -33.6692 20.1603 -88.6822 21.9271 -88.6821 -13.3797 GPRESSURE: 1687800 383.855 36.037 -48.0634 22.9219 73.5911 -131.266 37.7658 -7.93861 -10.6092 PRESSAVG: 1687800 7.60547 -29.9833 14.3845 -29.9834 12.9923 62.1625 14.3845 62.1626 -54.8934 GPRESSAVG: 1687800 7.52469 -30.3842 13.7222 -31.3647 12.7987 62.1559 12.6822 61.6372 -54.6271 TIMING: 1687800 CPU: 4894.15, 0.00288585/step Wall: 4894.15, 0.00288585/step, 2.65514 hours remaining, 209.113281 MB of memory in use. ENERGY: 1687800 738.6427 2047.7766 1943.4853 106.1182 -206822.2377 18086.4199 0.0000 0.0000 34487.0577 -149412.7372 301.1841 -183899.7949 -149325.3445 298.6385 113.8293 148.9456 555811.2800 -11.4319 -11.4346 PRESSURE: 1688000 208.31 99.6874 76.6053 99.6874 -142.396 -31.0138 76.6069 -31.0118 -134.133 GPRESSURE: 1688000 205.557 65.7473 48.8547 152.263 -91.3593 -23.5799 72.4481 -36.2825 -80.1554 PRESSAVG: 1688000 90.5564 -50.7332 -38.7274 -50.7332 14.0686 -18.2401 -38.7275 -18.2402 -78.3879 GPRESSAVG: 1688000 90.5465 -49.3502 -37.3384 -49.557 14.2811 -18.6313 -38.4538 -18.0894 -78.2508 TIMING: 1688000 CPU: 4894.72, 0.00287883/step Wall: 4894.72, 0.00287883/step, 2.64853 hours remaining, 209.113281 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: 1688000 755.8591 2010.2080 1941.3820 112.1496 -206215.3683 17796.6219 0.0000 0.0000 34418.3033 -149180.8444 300.5836 -183599.1477 -149078.1358 299.0760 -22.7395 11.3474 557166.1734 8.7457 8.8590 PRESSURE: 1688200 86.2712 107.867 -19.354 107.869 -174.735 29.9167 -19.3554 29.9187 7.21333 GPRESSURE: 1688200 71.2236 98.5577 107.086 135.165 -123.526 -72.7305 -103.115 77.1622 70.9283 PRESSAVG: 1688200 42.7703 22.8541 7.41833 22.8541 -17.1509 -6.89949 7.41839 -6.89939 -5.73588 GPRESSAVG: 1688200 42.5439 23.8491 6.83087 21.8096 -17.0082 -7.14998 7.93927 -8.65964 -6.17807 TIMING: 1688200 CPU: 4895.3, 0.00289928/step Wall: 4895.3, 0.00289928/step, 2.66717 hours remaining, 209.113281 MB of memory in use. ENERGY: 1688200 772.3051 2159.0459 1950.0915 117.5649 -205901.0641 17621.6903 0.0000 0.0000 34347.2953 -148933.0713 299.9635 -183280.3665 -148835.3679 299.7280 -27.0834 6.2085 556007.9309 6.6279 6.4526 LDB: ============= START OF LOAD BALANCING ============== 4898.69 LDB: ============== END OF LOAD BALANCING =============== 4898.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4898.69 LDB: ============= START OF LOAD BALANCING ============== 4898.98 LDB: Largest compute 4820 load 0.024248 is 20.6% of average load 0.117966 LDB: Average compute 0.001731 is 1.5% of average load 0.117966 LDB: TIME 4898.98 LOAD: AVG 0.117966 MAX 0.180927 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.055 MB LDB: TIME 4898.98 LOAD: AVG 0.117966 MAX 0.180927 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: TIME 4898.98 LOAD: AVG 0.117966 MAX 0.180927 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: ============== END OF LOAD BALANCING =============== 4898.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4898.99 PRESSURE: 1688400 -38.9558 129.138 119.136 129.137 115.375 -112.122 119.136 -112.122 233.543 GPRESSURE: 1688400 -5.7085 193.181 146.629 104.77 176.86 -123.445 192.08 -45.3035 245.714 PRESSAVG: 1688400 16.6312 37.4203 39.2749 37.4202 8.42152 25.9719 39.2749 25.9719 36.842 GPRESSAVG: 1688400 17.2832 36.5284 37.7846 37.467 7.23703 27.273 39.1247 27.7082 37.3632 TIMING: 1688400 CPU: 4895.89, 0.00295994/step Wall: 4895.89, 0.00295995/step, 2.72282 hours remaining, 207.960938 MB of memory in use. ENERGY: 1688400 780.6263 2118.7423 1934.3071 114.5823 -206097.7494 17796.9254 0.0000 0.0000 34439.6730 -148912.8931 300.7702 -183352.5660 -148820.7322 300.0553 103.3208 138.9553 556304.1643 20.6316 20.6278 PRESSURE: 1688600 242.244 110.178 51.1424 110.177 66.3053 75.9299 51.1431 75.93 331.022 GPRESSURE: 1688600 276.484 161.473 45.1151 139.656 121.178 124.599 6.03341 12.7515 327.491 PRESSAVG: 1688600 35.198 -55.049 42.9513 -55.0491 9.81164 47.7081 42.9513 47.7081 7.60501 GPRESSAVG: 1688600 36.6765 -55.1545 45.4776 -54.4528 10.111 47.2127 43.3864 48.0589 6.63014 TIMING: 1688600 CPU: 4896.48, 0.00292788/step Wall: 4896.48, 0.00292788/step, 2.69316 hours remaining, 207.960938 MB of memory in use. ENERGY: 1688600 768.2754 2056.0521 1928.4616 106.4582 -206623.6963 18300.5758 0.0000 0.0000 34580.6316 -148883.2415 302.0013 -183463.8731 -148789.0301 300.8487 213.1904 241.7177 557188.4623 17.5382 17.8059 PRESSURE: 1688800 -51.0184 93.1233 -17.5661 93.1243 5.0373 -36.1919 -17.5653 -36.1913 -140.154 GPRESSURE: 1688800 12.7328 111.688 55.1689 12.471 32.9129 -30.4153 -72.635 -47.4641 -121.835 PRESSAVG: 1688800 9.93296 -12.779 16.5194 -12.779 5.40334 -54.5619 16.5194 -54.5618 -55.938 GPRESSAVG: 1688800 8.75515 -13.6302 15.2734 -11.6648 6.00147 -51.2488 14.7272 -56.3955 -55.4295 TIMING: 1688800 CPU: 4897.06, 0.00289411/step Wall: 4897.06, 0.00289411/step, 2.66194 hours remaining, 207.960938 MB of memory in use. ENERGY: 1688800 770.0611 2040.8147 1952.1698 122.2390 -206107.0099 17813.5505 0.0000 0.0000 34390.6111 -149017.5637 300.3418 -183408.1748 -148921.9274 299.7279 -62.0452 -25.3966 557280.9741 -13.5339 -13.5576 PRESSURE: 1689000 100.538 -8.84796 3.72997 -8.84707 80.2173 70.9243 3.73039 70.9223 -314.01 GPRESSURE: 1689000 81.9501 48.9125 10.8928 1.55963 112.577 67.6785 -46.5372 33.1917 -241.371 PRESSAVG: 1689000 10.4603 -8.85905 1.2106 -8.85897 65.2955 -5.23833 1.21052 -5.23821 -21.6297 GPRESSAVG: 1689000 10.0357 -7.79443 1.72601 -9.96612 64.4625 -7.26046 3.07877 -3.34701 -20.6604 TIMING: 1689000 CPU: 4897.64, 0.00289724/step Wall: 4897.64, 0.00289724/step, 2.66466 hours remaining, 207.960938 MB of memory in use. ENERGY: 1689000 755.2790 2121.1149 1902.9614 105.4695 -205941.8043 17638.1487 0.0000 0.0000 34579.7389 -148839.0918 301.9935 -183418.8307 -148739.6302 300.4587 -44.4180 -15.6144 556876.6263 18.0420 17.9459 PRESSURE: 1689200 187.848 62.0053 46.1356 62.0058 29.4576 12.8398 46.1361 12.8406 208.752 GPRESSURE: 1689200 193.013 81.5032 48.5404 34.8579 84.9266 0.336899 -71.5823 -24.9758 253.293 PRESSAVG: 1689200 26.9331 -4.69959 -17.6188 -4.69967 -9.60553 9.15393 -17.6189 9.15405 -24.2987 GPRESSAVG: 1689200 26.8884 -6.38279 -17.7499 -2.38358 -8.92638 7.82402 -18.0966 8.24469 -24.8164 TIMING: 1689200 CPU: 4898.22, 0.00290152/step Wall: 4898.22, 0.00290152/step, 2.66843 hours remaining, 208.164062 MB of memory in use. ENERGY: 1689200 737.5070 2113.2489 1978.3694 114.8203 -206192.5698 18010.1309 0.0000 0.0000 34348.1482 -148890.3450 299.9709 -183238.4932 -148799.2929 300.5166 142.0192 177.0777 556053.8001 -2.3237 -2.2848 PRESSURE: 1689400 162.612 48.2389 111.05 48.24 80.3991 70.8135 111.052 70.8131 11.5346 GPRESSURE: 1689400 237.435 13.572 118.284 24.3445 44.4599 -16.0073 22.4064 191.734 77.8327 PRESSAVG: 1689400 35.6199 0.140062 -7.2384 0.140163 -11.723 43.3941 -7.23833 43.3942 27.5765 GPRESSAVG: 1689400 36.7726 1.00403 -7.03119 -2.27283 -13.1028 41.9719 -9.08923 46.4564 27.8506 TIMING: 1689400 CPU: 4898.8, 0.00290877/step Wall: 4898.8, 0.00290877/step, 2.67494 hours remaining, 208.164062 MB of memory in use. ENERGY: 1689400 720.2261 2115.4329 1957.8263 120.2748 -206396.8212 17940.1854 0.0000 0.0000 34413.2628 -149129.6129 300.5396 -183542.8757 -149038.6026 300.6077 84.8485 119.9093 556685.8295 17.1578 17.1734 PRESSURE: 1689600 16.923 189.547 69.667 189.547 63.0212 -49.2799 69.6669 -49.2805 -30.2977 GPRESSURE: 1689600 38.9104 285.189 -11.2831 155.395 131.896 -160.152 148.022 -24.6843 -25.0599 PRESSAVG: 1689600 -14.911 40.4071 37.3284 40.4072 -12.6967 55.984 37.3285 55.9839 40.1086 GPRESSAVG: 1689600 -15.3394 39.5469 37.0859 41.1726 -10.9453 55.8496 38.6792 53.223 39.1912 TIMING: 1689600 CPU: 4899.38, 0.00289299/step Wall: 4899.38, 0.00289299/step, 2.66026 hours remaining, 208.164062 MB of memory in use. ENERGY: 1689600 736.9787 2082.6833 1946.9031 119.2845 -206262.6767 17842.1554 0.0000 0.0000 34450.3181 -149084.3536 300.8632 -183534.6717 -148997.5391 299.7570 16.5488 48.5823 557128.2943 4.1670 4.3021 PRESSURE: 1689800 31.0418 64.0418 -57.1415 64.0423 -108.888 -12.9527 -57.1415 -12.9556 198.554 GPRESSURE: 1689800 78.3714 -25.2315 -32.7753 89.4297 -33.5815 15.0574 -5.37226 -60.5111 184.598 PRESSAVG: 1689800 26.5594 8.8221 3.39931 8.82218 -10.6426 16.2096 3.39944 16.2094 7.33393 GPRESSAVG: 1689800 26.3658 10.3105 1.82896 8.70201 -10.997 18.553 5.61102 14.8499 7.41504 TIMING: 1689800 CPU: 4899.95, 0.00287696/step Wall: 4899.95, 0.00287696/step, 2.64536 hours remaining, 208.164062 MB of memory in use. ENERGY: 1689800 736.7716 2052.1626 1932.1651 112.9625 -206142.2411 17727.9127 0.0000 0.0000 34360.6319 -149219.6347 300.0799 -183580.2667 -149120.1309 299.0158 40.2359 76.4627 556974.2141 7.7502 7.5946 PRESSURE: 1690000 231.206 -26.3554 190.784 -26.3557 48.4776 174.555 190.783 174.553 138.11 GPRESSURE: 1690000 215.645 19.2701 106.821 -165.955 82.9017 121.122 267.727 192.899 217.963 PRESSAVG: 1690000 3.6233 18.4788 -14.5831 18.4788 -61.1313 -6.64166 -14.5832 -6.64168 25.3339 GPRESSAVG: 1690000 3.08683 18.0027 -12.9164 18.0571 -61.6622 -7.87966 -14.7777 -3.11611 26.3824 TIMING: 1690000 CPU: 4900.53, 0.00288281/step Wall: 4900.53, 0.00288281/step, 2.65058 hours remaining, 208.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1690000 730.4165 2077.9021 1939.1075 108.5377 -206051.2220 17951.7808 0.0000 0.0000 34031.7460 -149211.7313 297.2077 -183243.4773 -149121.3430 298.5202 139.2644 172.1697 557879.4704 -10.7247 -10.7310 PRESSURE: 1690200 -157.882 -151.605 -5.63136 -151.605 -44.8435 132.217 -5.63122 132.217 -193.062 GPRESSURE: 1690200 -71.1607 -122.961 4.93712 -129.162 -35.8331 42.0677 53.6033 221.146 -187.488 PRESSAVG: 1690200 -6.5054 -19.1806 -19.1571 -19.1806 -17.4169 13.9708 -19.1569 13.9707 72.6017 GPRESSAVG: 1690200 -6.09226 -19.5432 -19.3376 -19.7624 -17.3215 16.1506 -20.0277 10.5368 72.159 TIMING: 1690200 CPU: 4901.11, 0.00290142/step Wall: 4901.11, 0.00290142/step, 2.66754 hours remaining, 208.164062 MB of memory in use. ENERGY: 1690200 728.7002 2050.2479 1961.2950 107.8814 -206044.8932 17719.2573 0.0000 0.0000 34201.1546 -149276.3569 298.6872 -183477.5115 -149176.2171 298.8348 -131.9291 -98.1607 558238.7733 16.2265 16.2484 PRESSURE: 1690400 -52.3053 -24.194 227.382 -24.1936 -54.1033 75.0271 227.382 75.0288 -17.8869 GPRESSURE: 1690400 -23.3554 -58.5785 186.882 -45.0505 15.1602 72.4611 202.81 56.5612 -19.0415 PRESSAVG: 1690400 -38.23 -12.1986 -2.92564 -12.1986 59.1234 98.5567 -2.92555 98.5567 -45.9981 GPRESSAVG: 1690400 -38.424 -10.6312 -4.2885 -12.7655 58.667 95.7381 -3.11804 99.4111 -45.034 TIMING: 1690400 CPU: 4901.69, 0.00291418/step Wall: 4901.69, 0.00291418/step, 2.67911 hours remaining, 208.164062 MB of memory in use. ENERGY: 1690400 764.2749 2028.7860 1960.5565 110.1379 -205969.5011 17816.0949 0.0000 0.0000 34052.2760 -149237.3749 297.3870 -183289.6509 -149134.6260 298.1667 -41.4319 -9.0789 557627.4483 -8.3682 -8.2637 PRESSURE: 1690600 11.132 -125.692 -127.051 -125.692 0.870648 61.8103 -127.051 61.8109 -8.73905 GPRESSURE: 1690600 14.9916 -117.22 -88.2816 -84.1423 45.193 60.6153 -68.1013 153.805 46.495 PRESSAVG: 1690600 -33.8631 42.7151 38.8254 42.7151 15.5793 -0.629334 38.8254 -0.629184 -4.0254 GPRESSAVG: 1690600 -34.4833 39.971 41.154 45.5513 16.7441 1.59512 38.48 0.676272 -4.54663 TIMING: 1690600 CPU: 4902.27, 0.00289129/step Wall: 4902.27, 0.00289129/step, 2.6579 hours remaining, 208.164062 MB of memory in use. ENERGY: 1690600 756.0995 2124.7420 1948.1672 110.7885 -206423.3463 17881.2058 0.0000 0.0000 34392.8527 -149209.4906 300.3613 -183602.3432 -149111.2421 299.0414 1.0879 35.5599 558372.8665 -7.4364 -7.4286 PRESSURE: 1690800 -4.32394 -169.391 96.4993 -169.392 291.007 130.166 96.5001 130.166 239.839 GPRESSURE: 1690800 47.8244 -210.612 99.4235 -194.604 338.281 64.339 -63.2442 19.2494 244.126 PRESSAVG: 1690800 10.8313 -42.9085 -5.13148 -42.9086 -68.1563 27.6957 -5.13144 27.6957 28.7237 GPRESSAVG: 1690800 12.2391 -42.5589 -5.55688 -43.9303 -68.2277 27.5172 -6.58463 26.6772 27.2703 TIMING: 1690800 CPU: 4902.85, 0.00288928/step Wall: 4902.85, 0.00288928/step, 2.65589 hours remaining, 208.164062 MB of memory in use. ENERGY: 1690800 727.7493 2055.4321 1943.3273 115.2510 -206575.2397 18082.5716 0.0000 0.0000 34414.3610 -149236.5473 300.5492 -183650.9084 -149141.8212 299.5659 175.5074 210.0771 557220.6353 -9.5337 -9.5728 PRESSURE: 1691000 201.068 -4.60455 19.6654 -4.60359 -27.9584 80.7701 19.6655 80.7679 -96.8574 GPRESSURE: 1691000 257.077 17.2322 -27.2255 -32.0248 15.1919 3.35188 119.452 54.6933 -102.569 PRESSAVG: 1691000 -53.5497 -21.7196 -3.20262 -21.7196 27.748 -16.1728 -3.20271 -16.1729 25.3078 GPRESSAVG: 1691000 -54.4033 -20.6805 -4.9682 -20.1487 27.7916 -16.5834 -2.06657 -16.0264 26.1788 TIMING: 1691000 CPU: 4903.43, 0.00289534/step Wall: 4903.43, 0.00289534/step, 2.6613 hours remaining, 208.164062 MB of memory in use. ENERGY: 1691000 731.8507 2096.9621 1969.6728 111.7791 -206417.1268 17890.6267 0.0000 0.0000 34309.8242 -149306.4112 299.6362 -183616.2354 -149213.8124 299.1884 25.4175 56.5668 557255.4071 -0.1646 -0.1443 PRESSURE: 1691200 -256.654 -130.149 24.5738 -130.148 -33.2396 -160.263 24.5732 -160.263 -70.286 GPRESSURE: 1691200 -221.175 -131.359 34.7059 -134.138 -11.0993 -117.647 -3.89839 -211.974 -31.6671 PRESSAVG: 1691200 -16.8439 -28.5094 -11.9375 -28.5093 41.6461 -12.1071 -11.9375 -12.107 -10.4364 GPRESSAVG: 1691200 -16.8214 -30.2832 -10.6516 -27.2453 40.9175 -12.3463 -14.2327 -12.4951 -10.7393 TIMING: 1691200 CPU: 4904.01, 0.00291673/step Wall: 4904.01, 0.00291673/step, 2.6808 hours remaining, 208.164062 MB of memory in use. ENERGY: 1691200 749.0156 2059.3523 1937.7074 118.6429 -206184.0914 17648.5726 0.0000 0.0000 34241.9539 -149428.8467 299.0435 -183670.8006 -149326.5995 299.2531 -120.0600 -87.9804 558183.7206 4.7886 4.4523 PRESSURE: 1691400 92.1831 208.727 4.24593 208.727 -238.695 -39.6511 4.24698 -39.651 31.8998 GPRESSURE: 1691400 110.582 212.106 46.714 204.607 -156.571 -7.31745 43.5105 -37.7548 40.1797 PRESSAVG: 1691400 -14.7724 -30.291 42.1425 -30.2909 24.9141 -7.79583 42.1424 -7.7959 -11.071 GPRESSAVG: 1691400 -15.5961 -28.6724 42.4547 -32.646 25.6515 -8.7192 44.1565 -5.42459 -10.8994 TIMING: 1691400 CPU: 4904.6, 0.00291915/step Wall: 4904.6, 0.00291915/step, 2.68286 hours remaining, 208.164062 MB of memory in use. ENERGY: 1691400 729.9647 2058.2299 1952.4071 116.3963 -206251.8334 17723.4149 0.0000 0.0000 34185.6018 -149485.8187 298.5514 -183671.4205 -149399.5680 298.0480 -38.2041 -1.9366 556990.1101 -0.3098 -0.2813 PRESSURE: 1691600 147.143 64.7555 56.7293 64.756 -192.768 27.5521 56.7283 27.5515 2.32346 GPRESSURE: 1691600 148.764 138.735 6.78749 42.2858 -127.284 -12.2825 41.5516 -74.2836 33.468 PRESSAVG: 1691600 -5.03422 -28.2386 96.9049 -28.2385 52.0022 -16.3996 96.905 -16.3997 -19.1071 GPRESSAVG: 1691600 -5.00878 -28.6003 96.7797 -29.5507 51.9254 -16.5 96.1516 -15.7701 -19.5918 TIMING: 1691600 CPU: 4905.18, 0.00291141/step Wall: 4905.18, 0.00291141/step, 2.67558 hours remaining, 208.164062 MB of memory in use. ENERGY: 1691600 747.4992 1986.9015 1965.5657 118.6475 -206283.3458 17679.5369 0.0000 0.0000 34263.8951 -149521.3000 299.2351 -183785.1951 -149419.7064 298.7739 -14.4339 18.3161 554710.6346 9.2870 9.1083 PRESSURE: 1691800 -232.441 221.018 53.2598 221.018 -50.1895 -75.0239 53.2602 -75.0231 -31.3412 GPRESSURE: 1691800 -219.293 235.452 42.1547 245.66 -31.237 -108.609 124.474 0.250046 27.898 PRESSAVG: 1691800 -40.0275 0.821077 17.12 0.821141 25.0567 -47.9557 17.1201 -47.9556 21.6338 GPRESSAVG: 1691800 -38.8744 2.85534 16.5793 2.05893 24.3639 -48.2385 17.2185 -49.8128 21.7693 TIMING: 1691800 CPU: 4905.76, 0.00288503/step Wall: 4905.76, 0.00288503/step, 2.65118 hours remaining, 208.164062 MB of memory in use. ENERGY: 1691800 743.4133 2096.2282 1950.6506 117.6465 -206145.0409 17680.9672 0.0000 0.0000 34148.9005 -149407.2346 298.2308 -183556.1351 -149310.9492 297.9518 -104.6572 -74.2105 557484.5190 2.2210 2.4196 PRESSURE: 1692000 -650.228 67.8301 122.873 67.8313 -201.891 -131.605 122.873 -131.604 -213.154 GPRESSURE: 1692000 -588.071 45.002 67.1393 45.1039 -214.515 -114.309 101.309 -156.945 -167.021 PRESSAVG: 1692000 -100.191 29.2943 -27.3723 29.2945 111.662 -28.039 -27.3722 -28.0391 7.78129 GPRESSAVG: 1692000 -101.092 27.7553 -27.7269 29.3942 112.101 -26.4 -28.7605 -28.9194 7.61076 TIMING: 1692000 CPU: 4906.33, 0.00286809/step Wall: 4906.33, 0.00286809/step, 2.63545 hours remaining, 208.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1692000 760.5288 2138.2577 1960.8843 101.0463 -205977.6823 17418.2778 0.0000 0.0000 34111.1456 -149487.5419 297.9011 -183598.6875 -149393.0160 298.4459 -355.0910 -323.2023 556965.8714 6.4173 6.2065 PRESSURE: 1692200 10.1596 -28.7756 120.674 -28.7756 -287.071 73.2807 120.675 73.2825 -68.5251 GPRESSURE: 1692200 55.4546 12.0522 83.8739 2.10779 -315.083 129.94 154.711 31.3153 -6.84418 PRESSAVG: 1692200 10.5135 53.9132 34.0661 53.9131 -55.2465 -49.6409 34.0661 -49.6408 10.3219 GPRESSAVG: 1692200 10.4558 53.329 35.2503 53.4322 -55.2269 -49.2234 33.0732 -50.4402 9.88468 TIMING: 1692200 CPU: 4906.9, 0.00287248/step Wall: 4906.9, 0.00287248/step, 2.63933 hours remaining, 208.164062 MB of memory in use. ENERGY: 1692200 775.4720 2098.7831 1950.2179 128.4036 -206725.8328 17965.0652 0.0000 0.0000 34294.2726 -149513.6185 299.5004 -183807.8911 -149415.3342 298.4409 -115.1457 -88.8242 558732.8069 -11.4704 -11.6288 LDB: ============= START OF LOAD BALANCING ============== 4910.29 LDB: ============== END OF LOAD BALANCING =============== 4910.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4910.29 LDB: ============= START OF LOAD BALANCING ============== 4910.58 LDB: Largest compute 4820 load 0.024911 is 21.1% of average load 0.118004 LDB: Average compute 0.001733 is 1.5% of average load 0.118004 LDB: TIME 4910.58 LOAD: AVG 0.118004 MAX 0.179447 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.047 MB LDB: TIME 4910.58 LOAD: AVG 0.118004 MAX 0.179447 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.246 MB LDB: TIME 4910.58 LOAD: AVG 0.118004 MAX 0.179447 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.246 MB LDB: ============== END OF LOAD BALANCING =============== 4910.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4910.59 PRESSURE: 1692400 65.1755 61.6085 -49.7852 61.6075 143.223 105.777 -49.7851 105.777 88.9751 GPRESSURE: 1692400 69.502 44.7671 -92.4944 114.386 173.783 21.2936 -2.44842 133.22 142.825 PRESSAVG: 1692400 35.7248 9.71747 54.3296 9.71753 -8.75431 9.12854 54.3296 9.12847 -30.7603 GPRESSAVG: 1692400 35.6382 7.96608 54.3083 12.6054 -9.53952 8.38021 54.7429 10.9908 -29.7092 TIMING: 1692400 CPU: 4907.49, 0.00293701/step Wall: 4907.49, 0.00293701/step, 2.69846 hours remaining, 208.433594 MB of memory in use. ENERGY: 1692400 744.7438 2081.7919 1942.2274 109.4791 -206563.8729 17891.0457 0.0000 0.0000 34408.2998 -149386.2851 300.4962 -183794.5849 -149291.5916 299.1196 99.1244 128.7034 556522.4139 -1.2633 -1.2035 PRESSURE: 1692600 -10.48 70.9449 75.8236 70.9454 -127.075 -56.2208 75.8239 -56.2193 101.37 GPRESSURE: 1692600 16.0636 67.4693 151.652 74.2844 -78.8677 -40.6495 53.058 -20.722 127.665 PRESSAVG: 1692600 -3.76392 -0.0763079 0.484857 -0.0762138 51.0857 40.6442 0.48479 40.6441 -60.6685 GPRESSAVG: 1692600 -3.96261 1.582 -1.15208 -1.22806 51.7037 41.1592 0.452193 41.7591 -61.3541 TIMING: 1692600 CPU: 4908.07, 0.00290002/step Wall: 4908.07, 0.00290002/step, 2.66432 hours remaining, 208.632812 MB of memory in use. ENERGY: 1692600 751.6111 2113.2511 1958.8996 129.4016 -206498.2920 18003.3328 0.0000 0.0000 34225.3984 -149316.3975 298.8989 -183541.7958 -149223.6722 298.9609 -12.0618 21.6202 557752.4473 -4.4489 -4.5377 PRESSURE: 1692800 5.38903 116.387 -103.981 116.387 188.827 22.7644 -103.981 22.7639 -102.122 GPRESSURE: 1692800 52.0283 75.1991 -116.094 141.075 192.171 33.5642 -191.188 5.56181 -53.3322 PRESSAVG: 1692800 -0.874923 13.6773 12.6009 13.6772 -59.6618 -17.0247 12.6009 -17.0249 -3.3915 GPRESSAVG: 1692800 0.269868 14.3087 14.7337 14.053 -60.6029 -17.3779 13.1409 -19.1366 -3.97607 TIMING: 1692800 CPU: 4908.65, 0.0028765/step Wall: 4908.65, 0.0028765/step, 2.64255 hours remaining, 208.632812 MB of memory in use. ENERGY: 1692800 716.4237 2158.0806 1949.7516 111.0188 -206086.9210 17724.0325 0.0000 0.0000 34271.1146 -149156.4993 299.2982 -183427.6138 -149061.3902 299.4270 30.6981 63.6223 558037.7106 -21.3094 -21.4364 PRESSURE: 1693000 -111.051 37.6375 -74.7373 37.6365 50.4449 -2.46728 -74.7378 -2.46687 -261.74 GPRESSURE: 1693000 -54.0215 34.5579 26.8172 101.361 67.8085 14.1098 -91.1359 -53.6091 -234.903 PRESSAVG: 1693000 -5.07901 11.9666 -31.5598 11.9666 5.98863 -9.86618 -31.5598 -9.86625 22.4858 GPRESSAVG: 1693000 -6.03902 10.4159 -32.658 10.6865 4.97431 -10.996 -31.3297 -11.0261 24.3188 TIMING: 1693000 CPU: 4909.23, 0.00290562/step Wall: 4909.23, 0.00290562/step, 2.66913 hours remaining, 208.632812 MB of memory in use. ENERGY: 1693000 787.3810 2078.2663 1943.3958 110.9331 -206305.6606 17843.2014 0.0000 0.0000 34316.6271 -149225.8560 299.6956 -183542.4831 -149131.7257 299.9629 -107.4487 -73.7052 558786.3790 7.7985 7.7514 PRESSURE: 1693200 -96.7367 46.4794 -152.276 46.4799 -134.705 -31.1909 -152.275 -31.1932 96.7401 GPRESSURE: 1693200 2.93787 -30.2459 -72.1252 167.994 -106.51 -60.9955 -157.118 5.76759 66.111 PRESSAVG: 1693200 72.9491 67.9923 20.2803 67.9923 -91.2037 16.6719 20.2802 16.6719 -13.4957 GPRESSAVG: 1693200 73.048 68.5323 20.3928 69.5953 -90.627 17.8745 20.4925 16.429 -14.4551 TIMING: 1693200 CPU: 4909.81, 0.0029068/step Wall: 4909.81, 0.0029068/step, 2.67006 hours remaining, 208.632812 MB of memory in use. ENERGY: 1693200 769.6088 2080.7572 1961.3665 123.5348 -206050.7430 17793.3548 0.0000 0.0000 34243.2005 -149078.9204 299.0544 -183322.1209 -148985.7274 299.4853 -44.9004 -12.4871 557250.0181 -10.5834 -10.6780 PRESSURE: 1693400 249.55 40.4775 -91.1977 40.4777 35.023 -117.024 -91.1974 -117.025 325.24 GPRESSURE: 1693400 193.795 85.5225 -52.3164 64.7629 98.1765 -57.4793 -78.539 -41.6314 404.514 PRESSAVG: 1693400 51.4029 65.7643 -7.48605 65.7642 -41.3026 20.2146 -7.48618 20.2145 -38.843 GPRESSAVG: 1693400 52.3571 65.0535 -6.17444 63.5957 -41.3924 18.169 -10.2887 21.7297 -39.4452 TIMING: 1693400 CPU: 4910.39, 0.00290631/step Wall: 4910.39, 0.00290631/step, 2.66944 hours remaining, 208.632812 MB of memory in use. ENERGY: 1693400 743.7897 2157.6240 1950.6481 119.8608 -206774.6573 18244.1243 0.0000 0.0000 34525.6928 -149032.9175 301.5215 -183558.6104 -148938.6402 299.6690 203.2708 232.1617 556819.6142 -9.5809 -9.4935 PRESSURE: 1693600 6.87926 45.5109 109.011 45.5101 -374.328 15.6914 109.011 15.692 -298.268 GPRESSURE: 1693600 -35.0688 58.0115 134.668 28.741 -303.046 104.739 25.659 -81.2861 -226.52 PRESSAVG: 1693600 1.23633 1.52086 -20.519 1.52089 -81.334 -30.1125 -20.519 -30.1125 75.1317 GPRESSAVG: 1693600 0.0488996 1.18085 -21.1497 3.09164 -81.147 -29.5655 -17.5402 -30.3352 76.2579 TIMING: 1693600 CPU: 4910.97, 0.00291116/step Wall: 4910.97, 0.00291116/step, 2.67374 hours remaining, 208.632812 MB of memory in use. ENERGY: 1693600 753.0065 2112.4160 1968.2571 114.6194 -206013.2032 17643.4031 0.0000 0.0000 34303.2752 -149118.2258 299.5790 -183421.5010 -149029.0079 299.8855 -221.9056 -188.2117 557255.9307 -1.6553 -1.6134 PRESSURE: 1693800 -220.281 42.1163 -74.6992 42.1177 -85.9126 205.48 -74.6972 205.482 -257.161 GPRESSURE: 1693800 -167.399 61.0181 -31.5616 39.0897 -64.6484 242.853 -135.051 210.441 -231.953 PRESSAVG: 1693800 -33.6824 -29.8282 -3.32484 -29.8282 -14.8571 -9.15312 -3.32481 -9.15312 13.3371 GPRESSAVG: 1693800 -34.5562 -28.3311 -4.93558 -30.9351 -14.3303 -8.56081 -2.65202 -8.14889 13.4505 TIMING: 1693800 CPU: 4911.55, 0.00289805/step Wall: 4911.55, 0.00289805/step, 2.66154 hours remaining, 208.632812 MB of memory in use. ENERGY: 1693800 785.3482 2134.6457 1982.1380 111.1566 -206092.6308 17608.4417 0.0000 0.0000 34171.4467 -149299.4540 298.4277 -183470.9007 -149207.9866 299.4592 -187.7851 -154.6670 556741.6978 -11.7341 -11.8120 PRESSURE: 1694000 189.749 -42.3374 -19.7532 -42.3379 -16.5956 73.5009 -19.7534 73.5009 -404.234 GPRESSURE: 1694000 248.313 28.6756 14.6343 -33.1627 -6.4151 48.0411 -41.5982 97.2786 -362.681 PRESSAVG: 1694000 49.9625 -14.2591 -46.118 -14.2591 10.3324 3.06523 -46.118 3.06532 -51.2595 GPRESSAVG: 1694000 50.785 -14.6942 -47.2747 -12.4325 9.78924 3.05549 -46.5812 3.11846 -52.2589 TIMING: 1694000 CPU: 4912.14, 0.00291344/step Wall: 4912.14, 0.00291344/step, 2.67551 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1694000 737.9608 2080.8970 1966.3618 114.5258 -206290.6184 17751.0803 0.0000 0.0000 34180.2513 -149459.5414 298.5046 -183639.7927 -149364.2081 298.7996 -77.0267 -40.2609 556217.4659 3.0118 2.7718 PRESSURE: 1694200 -247.218 -104.167 -44.7088 -104.167 49.4742 -167.558 -44.7089 -167.557 155.922 GPRESSURE: 1694200 -180.098 -149.108 -41.5923 -135.552 78.5619 -184.712 -14.2301 -94.1849 177.317 PRESSAVG: 1694200 -55.1064 28.5103 -47.7714 28.5103 67.5136 -74.6529 -47.7713 -74.6528 0.951901 GPRESSAVG: 1694200 -55.7749 30.1756 -46.212 25.2693 66.3332 -73.4057 -47.0504 -74.1385 2.74737 TIMING: 1694200 CPU: 4912.71, 0.00289733/step Wall: 4912.71, 0.00289733/step, 2.66055 hours remaining, 208.632812 MB of memory in use. ENERGY: 1694200 754.4252 2124.0224 1991.8310 124.9974 -206218.9766 17843.3663 0.0000 0.0000 34160.2316 -149220.1027 298.3298 -183380.3343 -149114.8795 299.1849 -13.9406 25.2606 557973.7861 4.4530 4.4352 PRESSURE: 1694400 49.9314 159.033 5.32887 159.033 158.299 65.1944 5.32921 65.1949 349.431 GPRESSURE: 1694400 120.308 219.937 10.2087 93.9866 181.567 71.8118 -28.7764 46.7779 350.823 PRESSAVG: 1694400 6.1415 -33.7464 19.3526 -33.7464 27.601 -11.4419 19.3526 -11.4418 -32.0115 GPRESSAVG: 1694400 7.38298 -34.2392 19.1918 -33.3512 28.4465 -12.465 19.1793 -14.5787 -34.4296 TIMING: 1694400 CPU: 4913.29, 0.00288938/step Wall: 4913.29, 0.00288938/step, 2.65309 hours remaining, 208.632812 MB of memory in use. ENERGY: 1694400 750.9975 2141.1964 1971.1074 107.9675 -206461.4840 18045.0863 0.0000 0.0000 34191.1368 -149253.9921 298.5997 -183445.1289 -149156.2203 298.9971 185.8873 217.5658 555129.6294 0.5770 0.4666 PRESSURE: 1694600 134.177 -82.0575 -103.744 -82.0574 101.699 38.8326 -103.744 38.8341 -5.10069 GPRESSURE: 1694600 195.873 8.15493 -77.6777 -146.265 106.618 -44.7706 -124.609 74.426 24.9193 PRESSAVG: 1694600 46.542 -19.2804 34.4948 -19.2804 -43.6045 -2.68232 34.4948 -2.68224 19.3043 GPRESSAVG: 1694600 45.5666 -19.9293 32.5603 -17.9619 -43.4979 -3.40267 36.1379 -0.895259 19.9639 TIMING: 1694600 CPU: 4913.87, 0.00291029/step Wall: 4913.87, 0.00291029/step, 2.67213 hours remaining, 208.632812 MB of memory in use. ENERGY: 1694600 764.3797 2109.3610 1947.3880 111.6628 -206350.8784 18023.5165 0.0000 0.0000 34103.3676 -149291.2027 297.8332 -183394.5703 -149195.6249 299.2942 76.9251 109.1368 557285.3666 7.4139 7.3442 PRESSURE: 1694800 -149.511 60.3291 -10.1979 60.3292 85.0761 68.6894 -10.1968 68.6902 96.6758 GPRESSURE: 1694800 -108.103 89.7581 -67.2929 -3.80055 150.064 -19.311 -120.117 180.714 76.0081 PRESSAVG: 1694800 47.4825 -48.7395 13.9124 -48.7396 -3.12487 5.70427 13.9124 5.70416 -29.8252 GPRESSAVG: 1694800 48.4631 -49.4008 15.7823 -48.8398 -3.2319 6.03094 12.785 6.36017 -31.0024 TIMING: 1694800 CPU: 4914.46, 0.00291147/step Wall: 4914.46, 0.00291147/step, 2.67305 hours remaining, 208.632812 MB of memory in use. ENERGY: 1694800 769.6784 2131.9751 1966.7028 109.9903 -206508.5438 17959.3379 0.0000 0.0000 34262.6469 -149308.2124 299.2242 -183570.8594 -149210.6559 298.9376 10.7471 39.3231 556430.3848 4.8442 4.7429 PRESSURE: 1695000 -89.9762 -174.042 -185.985 -174.04 -233.881 73.1803 -185.984 73.1802 127.888 GPRESSURE: 1695000 -89.2714 -211.167 -170.869 -188.657 -150.962 54.116 -282.287 132.621 143.269 PRESSAVG: 1695000 87.0169 24.9068 -30.6346 24.9069 -20.3671 37.8875 -30.6345 37.8876 -35.9775 GPRESSAVG: 1695000 84.518 26.8324 -28.9667 24.8107 -20.9398 38.3193 -31.2329 36.7843 -33.2663 TIMING: 1695000 CPU: 4915.04, 0.00290159/step Wall: 4915.04, 0.00290159/step, 2.66382 hours remaining, 208.632812 MB of memory in use. ENERGY: 1695000 747.3671 2083.9216 1976.1942 106.6262 -205976.9920 17606.4984 0.0000 0.0000 34149.0265 -149307.3582 298.2319 -183456.3846 -149209.8539 299.2608 -65.3229 -32.3215 557971.6848 10.2241 10.1039 PRESSURE: 1695200 -54.1808 -65.7562 -21.9396 -65.7562 249.203 66.1883 -21.94 66.188 81.6457 GPRESSURE: 1695200 -34.1587 -158.724 34.5843 -29.3217 300.102 47.9326 -20.5811 28.2049 109.611 PRESSAVG: 1695200 34.6215 -38.2741 -9.94917 -38.2742 -50.5543 5.18279 -9.94912 5.18272 -19.1714 GPRESSAVG: 1695200 36.1062 -40.939 -12.7409 -35.2896 -51.2901 5.70766 -9.56829 4.53124 -19.988 TIMING: 1695200 CPU: 4915.61, 0.00286409/step Wall: 4915.61, 0.00286409/step, 2.62923 hours remaining, 208.886719 MB of memory in use. ENERGY: 1695200 781.1789 2138.6599 1913.5581 109.2299 -206551.3105 18143.7322 0.0000 0.0000 34266.1243 -149198.8273 299.2546 -183464.9515 -149100.6690 299.2228 92.2226 125.1849 558072.1740 -11.7014 -11.7239 PRESSURE: 1695400 -100.612 -133.557 -40.1953 -133.557 -203.412 87.5519 -40.1942 87.5519 28.9467 GPRESSURE: 1695400 -57.5006 -60.0136 -25.9565 -125.288 -148.023 87.6011 -23.3343 137.746 41.1624 PRESSAVG: 1695400 -59.2035 -52.0984 -49.2137 -52.0985 34.1092 73.2862 -49.2137 73.2862 18.9543 GPRESSAVG: 1695400 -59.6579 -50.1308 -45.6314 -56.1907 34.4684 73.9146 -51.4666 73.0613 18.6275 TIMING: 1695400 CPU: 4916.18, 0.00287019/step Wall: 4916.18, 0.00287019/step, 2.63467 hours remaining, 208.886719 MB of memory in use. ENERGY: 1695400 756.5615 2086.9146 1943.4180 119.6004 -206197.7322 17784.3902 0.0000 0.0000 34324.3517 -149182.4958 299.7631 -183506.8475 -149078.4264 298.5984 -91.6924 -54.7870 558476.4782 -2.0467 -2.1874 PRESSURE: 1695600 -54.9669 -60.3775 98.2325 -60.3774 -84.7394 33.1073 98.2309 33.1089 -292.191 GPRESSURE: 1695600 39.2878 -60.1619 28.1717 -136.509 -77.7473 8.83585 104.095 57.5375 -297.113 PRESSAVG: 1695600 31.1404 -28.7945 42.824 -28.7944 -40.3166 16.8231 42.824 16.8231 33.7386 GPRESSAVG: 1695600 31.1476 -29.0494 38.5903 -28.6713 -40.3489 17.9094 45.418 17.7158 33.4491 TIMING: 1695600 CPU: 4916.76, 0.00287568/step Wall: 4916.76, 0.00287568/step, 2.63955 hours remaining, 208.886719 MB of memory in use. ENERGY: 1695600 808.9871 2125.5231 1925.7221 105.8803 -206158.9387 17787.8853 0.0000 0.0000 34167.9781 -149236.9627 298.3975 -183404.9408 -149139.5631 299.7170 -143.9656 -111.8575 558774.3173 8.1875 8.0826 PRESSURE: 1695800 -230.701 46.2609 111.339 46.261 -44.7675 -71.6758 111.339 -71.677 -108.558 GPRESSURE: 1695800 -182.43 -46.2171 154.865 69.4832 9.18087 -35.7406 91.8034 -61.4324 -117.695 PRESSAVG: 1695800 -0.415687 37.0877 9.97221 37.0877 -3.97861 -0.58277 9.97221 -0.582861 12.5412 GPRESSAVG: 1695800 -0.604424 36.4393 12.0586 36.4321 -3.43804 -0.976325 8.80462 -1.16596 12.0341 TIMING: 1695800 CPU: 4917.34, 0.00290354/step Wall: 4917.34, 0.00290354/step, 2.66496 hours remaining, 208.886719 MB of memory in use. ENERGY: 1695800 752.0492 2090.5972 1961.7241 107.3305 -206067.9616 17771.5834 0.0000 0.0000 34150.5933 -149234.0837 298.2456 -183384.6770 -149141.1312 299.7026 -128.0088 -96.9816 559666.1541 2.7156 2.6639 PRESSURE: 1696000 -12.3853 -103.732 -94.9681 -103.731 -176.879 132.402 -94.9685 132.402 -314.738 GPRESSURE: 1696000 39.9954 -56.9406 -55.0833 -51.5937 -164.109 5.96209 -127.038 122.179 -279.876 PRESSAVG: 1696000 102.216 -30.2046 19.5586 -30.2046 -27.0482 19.0778 19.5586 19.0778 -68.3144 GPRESSAVG: 1696000 102.38 -29.0598 21.0256 -28.4225 -27.6643 16.777 18.517 21.5457 -68.2406 TIMING: 1696000 CPU: 4917.92, 0.00290336/step Wall: 4917.92, 0.00290336/step, 2.66464 hours remaining, 208.886719 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: 1696000 750.8679 2086.1305 1954.3435 118.4058 -206139.5171 17792.3284 0.0000 0.0000 34224.5610 -149212.8800 298.8916 -183437.4411 -149121.8792 299.3826 -168.0007 -134.6630 561229.6847 2.2844 2.1584 PRESSURE: 1696200 -247.243 164.819 76.8811 164.82 226.701 60.1184 76.8811 60.1187 -164.585 GPRESSURE: 1696200 -165.504 47.0167 78.5625 135.249 192.073 54.2834 27.1093 72.0948 -128.424 PRESSAVG: 1696200 56.9715 17.7598 26.3208 17.7597 9.10687 3.31285 26.3207 3.3127 -111.13 GPRESSAVG: 1696200 56.7321 19.0391 25.3506 17.5821 9.47688 3.76865 28.4255 2.95108 -111.215 TIMING: 1696200 CPU: 4918.5, 0.00288557/step Wall: 4918.5, 0.00288557/step, 2.64815 hours remaining, 209.109375 MB of memory in use. ENERGY: 1696200 745.9116 2127.9912 1965.3230 112.8027 -206553.4334 17967.2549 0.0000 0.0000 34400.4812 -149233.6688 300.4280 -183634.1500 -149134.9335 299.3126 -61.7090 -33.9517 559498.1698 -15.0172 -15.0020 LDB: ============= START OF LOAD BALANCING ============== 4921.88 LDB: ============== END OF LOAD BALANCING =============== 4921.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4921.88 LDB: ============= START OF LOAD BALANCING ============== 4922.17 LDB: Largest compute 4820 load 0.023655 is 20.1% of average load 0.117964 LDB: Average compute 0.001728 is 1.5% of average load 0.117964 LDB: TIME 4922.17 LOAD: AVG 0.117964 MAX 0.179202 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.07 MB LDB: TIME 4922.17 LOAD: AVG 0.117964 MAX 0.179202 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: TIME 4922.17 LOAD: AVG 0.117964 MAX 0.179202 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: ============== END OF LOAD BALANCING =============== 4922.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4922.18 PRESSURE: 1696400 -285.146 173.236 36.7131 173.236 129.229 -26.8717 36.7138 -26.8726 -183.168 GPRESSURE: 1696400 -226.551 160.756 -49.51 202.442 162.697 -11.9911 70.7951 -33.2578 -179.511 PRESSAVG: 1696400 -3.66038 -5.01679 48.5251 -5.01684 -19.631 -13.8478 48.5252 -13.8478 55.7954 GPRESSAVG: 1696400 -3.54415 -6.47908 48.3656 -5.34246 -20.3966 -12.4486 50.1027 -13.8441 56.6781 TIMING: 1696400 CPU: 4919.08, 0.00292627/step Wall: 4919.08, 0.00292627/step, 2.68534 hours remaining, 209.343750 MB of memory in use. ENERGY: 1696400 716.1844 2107.0477 1964.2361 114.0014 -206341.3366 17758.4310 0.0000 0.0000 34374.9145 -149306.5215 300.2047 -183681.4359 -149204.7227 299.9950 -113.0284 -81.1218 558197.9441 10.8347 10.9125 PRESSURE: 1696600 5.06104 42.3521 106.87 42.3511 -26.6026 4.04276 106.871 4.04346 -150.391 GPRESSURE: 1696600 39.1208 -13.2267 81.8002 5.74976 -11.6252 -47.8973 89.9648 22.7346 -112.48 PRESSAVG: 1696600 65.8051 -60.1643 55.0868 -60.1644 -5.46793 -47.8846 55.0867 -47.8846 -20.5997 GPRESSAVG: 1696600 66.3795 -59.2325 55.278 -62.8035 -4.6373 -48.5792 54.1238 -48.8475 -21.8998 TIMING: 1696600 CPU: 4919.66, 0.00288586/step Wall: 4919.66, 0.00288586/step, 2.6481 hours remaining, 209.414062 MB of memory in use. ENERGY: 1696600 736.3151 2173.1621 1912.8144 126.6315 -206526.7231 17910.3226 0.0000 0.0000 34241.7073 -149425.7701 299.0413 -183667.4774 -149332.7788 299.0201 -57.3108 -28.3281 558421.2947 13.2458 13.2808 PRESSURE: 1696800 -99.0452 134.372 25.1775 134.372 -245.86 -105.025 25.1765 -105.025 -49.059 GPRESSURE: 1696800 -83.8307 100.14 120.095 168.381 -196.759 -5.92114 15.163 -130.078 -14.8305 PRESSAVG: 1696800 71.0099 -8.9817 24.889 -8.98172 -63.3576 0.0739319 24.8889 0.073883 -57.8707 GPRESSAVG: 1696800 71.6862 -8.47881 25.3548 -7.55765 -64.108 -0.524685 21.5598 1.50845 -57.1634 TIMING: 1696800 CPU: 4920.24, 0.00288875/step Wall: 4920.24, 0.00288875/step, 2.65059 hours remaining, 209.414062 MB of memory in use. ENERGY: 1696800 744.4358 2125.7672 1967.0546 119.4657 -206271.4483 17770.5745 0.0000 0.0000 34270.4949 -149273.6554 299.2928 -183544.1503 -149172.2594 298.3218 -131.3213 -98.4734 558990.4691 -16.7395 -16.5284 PRESSURE: 1697000 72.4037 68.2654 -108.599 68.2652 -235.259 -61.1448 -108.601 -61.1436 -102.39 GPRESSURE: 1697000 91.2317 -11.9766 -83.5437 -8.96297 -133.595 -71.0177 -50.0964 -77.5735 -103.934 PRESSAVG: 1697000 71.819 11.8962 12.4771 11.8963 15.6149 2.28817 12.477 2.28815 -66.8205 GPRESSAVG: 1697000 72.0475 10.7482 12.8229 13.576 16.4574 2.86369 13.388 -1.42635 -67.4855 TIMING: 1697000 CPU: 4920.81, 0.00287946/step Wall: 4920.81, 0.00287946/step, 2.6419 hours remaining, 209.414062 MB of memory in use. ENERGY: 1697000 758.9839 2065.6771 1953.1794 122.4011 -206294.0901 17832.6981 0.0000 0.0000 34258.9891 -149302.1614 299.1923 -183561.1505 -149215.6991 299.0156 -88.4150 -48.7660 558554.3107 6.8711 7.0065 PRESSURE: 1697200 -56.1748 -40.2974 -236.618 -40.2976 -300.874 -85.8079 -236.619 -85.8097 -228.32 GPRESSURE: 1697200 -8.14607 -41.2637 -167.208 56.0005 -246.167 -61.0828 -278.389 44.8446 -237.533 PRESSAVG: 1697200 -3.05541 9.03829 25.5019 9.03826 -59.6077 -39.6502 25.5019 -39.65 51.6694 GPRESSAVG: 1697200 -2.21412 9.70406 23.4267 8.16882 -60.3365 -39.4596 27.2356 -38.7085 51.3773 TIMING: 1697200 CPU: 4921.39, 0.00287532/step Wall: 4921.39, 0.00287532/step, 2.63795 hours remaining, 209.414062 MB of memory in use. ENERGY: 1697200 756.8910 2083.4797 1953.8993 108.4150 -206082.0695 17589.1809 0.0000 0.0000 34267.1932 -149323.0105 299.2639 -183590.2036 -149224.5954 299.1559 -195.1230 -163.9486 558925.2583 -3.6645 -3.7244 PRESSURE: 1697400 -190.875 28.425 3.55171 28.426 -121.075 74.3421 3.55359 74.343 -257.606 GPRESSURE: 1697400 -161.394 -49.7579 12.9659 41.4549 -116.164 125.676 -27.5375 14.5079 -185.381 PRESSAVG: 1697400 91.0039 -65.9944 -12.691 -65.9944 -43.7852 1.87824 -12.691 1.8782 -13.8356 GPRESSAVG: 1697400 89.9588 -66.9152 -12.0918 -65.2336 -45.1826 3.44314 -11.5014 2.94203 -11.938 TIMING: 1697400 CPU: 4921.97, 0.00289132/step Wall: 4921.97, 0.00289132/step, 2.65247 hours remaining, 209.414062 MB of memory in use. ENERGY: 1697400 759.1913 2145.6489 1936.4567 117.7395 -206109.4464 17622.9919 0.0000 0.0000 34249.0624 -149278.3557 299.1056 -183527.4182 -149181.9148 298.7803 -189.8522 -154.3130 558597.5567 11.1277 10.9461 PRESSURE: 1697600 -97.7002 0.321895 -258.085 0.321187 203.03 38.9535 -258.085 38.9522 -296.568 GPRESSURE: 1697600 -28.4207 44.37 -228.788 -31.455 197.414 -21.3399 -271.022 55.016 -268.093 PRESSAVG: 1697600 49.3059 -52.625 24.2811 -52.625 -45.2141 6.48085 24.281 6.48067 0.260696 GPRESSAVG: 1697600 50.1767 -53.1842 26.8208 -51.3802 -43.9047 6.14553 22.6617 6.95893 -1.1674 TIMING: 1697600 CPU: 4922.54, 0.00287195/step Wall: 4922.54, 0.00287195/step, 2.63454 hours remaining, 209.617188 MB of memory in use. ENERGY: 1697600 735.2111 2127.4000 1948.1501 116.8592 -205994.7992 17687.7994 0.0000 0.0000 34181.2639 -149198.1157 298.5135 -183379.3796 -149102.5268 299.6856 -63.7463 -33.0333 558056.2462 1.4508 1.7015 PRESSURE: 1697800 -181.526 -90.2947 -101.223 -90.2952 -93.9833 -137.701 -101.225 -137.7 -186.893 GPRESSURE: 1697800 -143.541 -19.7706 -72.9742 -149.024 -77.9928 -146.354 -148.11 -81.5838 -142.014 PRESSAVG: 1697800 73.5715 -38.9566 -10.5119 -38.9566 21.4351 -9.26453 -10.5119 -9.26457 -67.3869 GPRESSAVG: 1697800 72.9991 -36.7997 -12.5458 -38.6984 21.0899 -9.21298 -10.8653 -11.2543 -66.6526 TIMING: 1697800 CPU: 4923.12, 0.00287677/step Wall: 4923.12, 0.00287677/step, 2.63879 hours remaining, 209.617188 MB of memory in use. ENERGY: 1697800 773.8267 2130.3758 1952.8648 106.1413 -205965.7476 17469.1851 0.0000 0.0000 34492.0406 -149041.3132 301.2276 -183533.3538 -148944.2457 300.1523 -154.1339 -121.1824 557972.1815 9.2066 9.1454 PRESSURE: 1698000 39.3778 85.9786 27.6511 85.9786 88.81 -261.272 27.6513 -261.273 -117.836 GPRESSURE: 1698000 34.4175 60.0781 73.8586 138.118 158.647 -234.849 -19.0361 -229.853 -93.2918 PRESSAVG: 1698000 29.3097 0.108809 43.4373 0.108751 -16.8826 8.14549 43.4374 8.14559 -50.9357 GPRESSAVG: 1698000 29.0796 -2.29119 43.8176 -0.562104 -16.5199 5.40576 43.5253 9.00657 -51.4446 TIMING: 1698000 CPU: 4923.69, 0.00287111/step Wall: 4923.69, 0.00287111/step, 2.63345 hours remaining, 209.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1698000 768.1244 2133.0810 1942.5501 117.6082 -206093.4298 17696.3631 0.0000 0.0000 34559.2570 -148876.4458 301.8146 -183435.7029 -148778.7201 300.8010 3.4506 33.2576 556207.2043 -12.8362 -12.9616 PRESSURE: 1698200 -19.3552 -24.0473 84.7586 -24.0472 46.3322 144.27 84.7579 144.271 69.5857 GPRESSURE: 1698200 37.0405 -41.4067 -49.508 -49.0554 28.737 25.1756 142.432 154.571 114.118 PRESSAVG: 1698200 -1.48601 10.2062 -15.682 10.2061 -24.843 -18.0483 -15.6819 -18.0484 33.5261 GPRESSAVG: 1698200 -0.915446 11.4426 -18.9548 7.41143 -25.2934 -15.8795 -14.804 -17.1504 33.1055 TIMING: 1698200 CPU: 4924.27, 0.00287074/step Wall: 4924.27, 0.00287074/step, 2.63294 hours remaining, 209.617188 MB of memory in use. ENERGY: 1698200 751.6422 2061.7162 1946.9529 124.6151 -206079.8120 17869.9679 0.0000 0.0000 34429.7361 -148895.1815 300.6834 -183324.9176 -148803.1462 300.5733 32.1875 59.9653 557559.9422 2.3990 2.2989 PRESSURE: 1698400 22.4129 23.9238 90.5081 23.9251 10.7432 -4.25401 90.5071 -4.2556 331.792 GPRESSURE: 1698400 77.1015 7.74621 29.9549 -21.7599 42.4001 17.3314 98.1132 7.12508 336.645 PRESSAVG: 1698400 16.9042 17.7326 19.0686 17.7327 -13.5609 -93.107 19.0686 -93.107 -9.83834 GPRESSAVG: 1698400 16.7673 14.6586 19.6228 20.9505 -13.8051 -94.3758 19.3598 -91.6851 -9.64849 TIMING: 1698400 CPU: 4924.85, 0.00290334/step Wall: 4924.85, 0.00290334/step, 2.66268 hours remaining, 209.617188 MB of memory in use. ENERGY: 1698400 708.0665 2023.5637 1954.8954 105.1719 -206386.3263 18135.7633 0.0000 0.0000 34372.8456 -149086.0198 300.1866 -183458.8654 -148991.2786 300.1013 121.6495 152.0487 558189.4910 -2.1650 -2.2288 PRESSURE: 1698600 -228.262 4.90431 71.0436 4.90456 134.842 -43.0164 71.0441 -43.016 -193.622 GPRESSURE: 1698600 -201.311 52.9564 159.752 -23.643 113.836 -69.8873 -10.8424 19.3799 -104.886 PRESSAVG: 1698600 10.5986 -13.8123 -0.458357 -13.8122 -6.95326 -90.7081 -0.458308 -90.708 37.75 GPRESSAVG: 1698600 9.87498 -12.426 0.968327 -15.3991 -6.32585 -90.3521 -1.36669 -89.3453 38.3884 TIMING: 1698600 CPU: 4925.42, 0.00288875/step Wall: 4925.42, 0.00288875/step, 2.64915 hours remaining, 209.617188 MB of memory in use. ENERGY: 1698600 770.3679 2043.0111 1933.3662 103.3899 -205996.2262 17686.5028 0.0000 0.0000 34510.2002 -148949.3881 301.3862 -183459.5884 -148848.4355 299.8774 -95.6808 -64.1201 558466.3395 13.7985 13.9792 PRESSURE: 1698800 -65.8027 -5.74248 15.812 -5.7435 -175.978 58.1556 15.8115 58.155 68.0967 GPRESSURE: 1698800 -56.0949 -21.1828 -3.55343 -4.95524 -160.81 23.0098 85.165 115.092 126.734 PRESSAVG: 1698800 -28.5314 2.22277 20.6131 2.22273 28.9681 -17.774 20.6131 -17.7742 7.59874 GPRESSAVG: 1698800 -28.2234 1.88293 20.6242 1.6721 29.0089 -17.0663 21.3935 -17.9778 7.6433 TIMING: 1698800 CPU: 4926, 0.00288802/step Wall: 4926, 0.00288802/step, 2.64831 hours remaining, 209.617188 MB of memory in use. ENERGY: 1698800 725.5903 2148.1822 1939.4160 96.7803 -205945.3982 17601.9760 0.0000 0.0000 34478.2146 -148955.2388 301.1068 -183433.4534 -148855.2640 300.4126 -57.8946 -30.0570 557851.8202 2.6785 2.8096 PRESSURE: 1699000 -295.131 29.1645 73.1433 29.1637 66.5714 -127.326 73.143 -127.326 -77.6583 GPRESSURE: 1699000 -265.776 19.763 143.348 -11.632 92.844 -148.336 24.1451 -120.544 -52.1692 PRESSAVG: 1699000 -44.85 3.0706 -7.21148 3.07061 -30.5191 -42.9345 -7.21146 -42.9345 22.7062 GPRESSAVG: 1699000 -44.0094 2.93269 -5.96671 3.76843 -30.2182 -41.3806 -8.90072 -44.5684 21.8033 TIMING: 1699000 CPU: 4926.58, 0.00287827/step Wall: 4926.58, 0.00287827/step, 2.63922 hours remaining, 209.617188 MB of memory in use. ENERGY: 1699000 779.3045 2081.6265 1919.1341 117.5082 -205831.3584 17613.8865 0.0000 0.0000 34292.8323 -149027.0663 299.4878 -183319.8986 -148929.2201 299.1214 -102.0726 -75.0339 558723.7603 -17.5543 -17.4747 PRESSURE: 1699200 -58.5931 16.5158 142.019 16.5147 -213.82 -0.605648 142.019 -0.604807 -159.493 GPRESSURE: 1699200 -8.07841 146.935 143.234 -26.5319 -202.062 -76.5296 145.745 41.5869 -129.885 PRESSAVG: 1699200 -25.017 -62.0259 -6.04822 -62.0259 -33.8739 41.391 -6.04826 41.391 66.6339 GPRESSAVG: 1699200 -24.6789 -60.9367 -5.9281 -62.7989 -33.5943 38.8768 -5.16897 42.6182 66.252 TIMING: 1699200 CPU: 4927.16, 0.00289861/step Wall: 4927.16, 0.00289861/step, 2.6577 hours remaining, 209.617188 MB of memory in use. ENERGY: 1699200 755.3039 2086.3210 1950.3716 126.8609 -205772.6126 17637.0238 0.0000 0.0000 34207.2162 -149009.5153 298.7401 -183216.7315 -148912.8646 299.7092 -143.9689 -113.3420 558287.8677 2.5810 2.6596 PRESSURE: 1699400 -69.4318 135.69 -234.679 135.689 -327.267 -145.61 -234.679 -145.611 -316.537 GPRESSURE: 1699400 -44.6505 86.87 -252.41 94.0495 -281.226 -119.254 -273.071 -108.921 -289.802 PRESSAVG: 1699400 -8.3108 -42.0536 -40.8354 -42.0536 -88.0419 -21.9575 -40.8355 -21.9574 93.4172 GPRESSAVG: 1699400 -8.3405 -43.2752 -41.8962 -40.9972 -88.74 -23.1291 -40.4787 -21.5989 93.8597 TIMING: 1699400 CPU: 4927.74, 0.00291915/step Wall: 4927.74, 0.00291915/step, 2.67638 hours remaining, 209.617188 MB of memory in use. ENERGY: 1699400 782.3240 2015.1761 1962.9039 118.8396 -205650.5821 17520.2263 0.0000 0.0000 34313.4321 -148937.6800 299.6677 -183251.1121 -148844.4610 298.9335 -237.7451 -205.2265 559182.7227 -0.9785 -1.0736 PRESSURE: 1699600 -144.232 75.8754 76.0039 75.8753 -183.402 27.6192 76.0029 27.6188 -276.778 GPRESSURE: 1699600 -65.8096 59.2588 80.8113 54.5788 -197.54 -13.7509 73.0641 27.9462 -247.644 PRESSAVG: 1699600 -30.6851 19.6728 -52.1887 19.6728 63.5843 -34.6536 -52.1887 -34.6536 -23.9722 GPRESSAVG: 1699600 -31.611 19.7869 -52.7446 19.2317 63.057 -33.2714 -51.1323 -35.7396 -22.899 TIMING: 1699600 CPU: 4928.32, 0.00290427/step Wall: 4928.32, 0.00290427/step, 2.66257 hours remaining, 209.617188 MB of memory in use. ENERGY: 1699600 808.4975 2100.7852 1964.8839 102.9116 -205843.7379 17636.9846 0.0000 0.0000 34391.0096 -148838.6656 300.3452 -183229.6752 -148745.7177 299.4216 -201.4704 -170.3309 558162.6675 2.9757 2.8490 PRESSURE: 1699800 -69.8457 -22.9464 117.323 -22.9458 -236.279 29.6264 117.322 29.6266 110.22 GPRESSURE: 1699800 9.69606 -4.8035 71.102 -42.4327 -236.651 8.80401 173.631 -35.2704 127.429 PRESSAVG: 1699800 31.1831 4.34002 35.1507 4.33996 -32.5325 -22.4071 35.1508 -22.4072 47.7329 GPRESSAVG: 1699800 31.4888 4.74081 33.5979 4.12317 -32.4086 -22.8052 35.3576 -24.7239 47.623 TIMING: 1699800 CPU: 4928.91, 0.00292301/step Wall: 4928.91, 0.00292301/step, 2.67959 hours remaining, 209.617188 MB of memory in use. ENERGY: 1699800 807.2331 2084.8468 1940.7904 105.7089 -205939.5246 17772.6680 0.0000 0.0000 34279.0452 -148949.2321 299.3674 -183228.2773 -148849.4241 300.5584 -65.3017 -33.1753 558435.9421 15.4611 15.5677 PRESSURE: 1700000 -134.88 63.7567 -71.1208 63.7565 85.4155 139.673 -71.1209 139.673 38.6285 GPRESSURE: 1700000 -106.761 -13.9668 -72.8216 79.7898 169.441 114.455 -140.536 73.9004 24.3555 PRESSAVG: 1700000 59.0762 -20.8832 -8.84071 -20.8832 -46.2206 18.2506 -8.84065 18.2507 -40.5923 GPRESSAVG: 1700000 58.9252 -22.7019 -7.38171 -20.1216 -45.7131 19.4646 -9.59038 18.9075 -40.5505 TIMING: 1700000 CPU: 4929.49, 0.00291173/step Wall: 4929.49, 0.00291173/step, 2.66908 hours remaining, 209.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1700000 744.5178 2131.1466 1983.5524 125.9182 -206115.8757 17804.2614 0.0000 0.0000 34192.5017 -149133.9777 298.6116 -183326.4794 -149041.8581 300.2925 -3.6121 29.0118 557649.8701 -9.2456 -9.1128 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700200 434.077 -36.4989 124.519 -36.4987 32.1117 -44.7757 124.519 -44.7754 245.443 GPRESSURE: 1700200 419.524 -7.67836 86.607 -132.943 120.067 -27.5536 39.7753 -85.409 258.406 PRESSAVG: 1700200 57.8938 -7.50198 12.2751 -7.50206 -69.5013 -5.58996 12.2751 -5.58988 75.3479 GPRESSAVG: 1700200 58.3407 -4.86532 14.3504 -4.95346 -69.5797 -5.89438 12.0146 -4.32661 74.5649 TIMING: 1700200 CPU: 4930.09, 0.00298954/step Wall: 4930.09, 0.00298954/step, 2.74025 hours remaining, 209.617188 MB of memory in use. ENERGY: 1700200 710.4988 2059.2204 1944.7648 108.9902 -206402.7037 18155.2984 0.0000 0.0000 34169.6430 -149254.2881 298.4120 -183423.9311 -149164.1116 300.0491 237.2105 265.9990 556475.6821 21.2468 21.1086 LDB: ============= START OF LOAD BALANCING ============== 4933.47 LDB: ============== END OF LOAD BALANCING =============== 4933.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4933.47 LDB: ============= START OF LOAD BALANCING ============== 4933.76 LDB: Largest compute 4820 load 0.025002 is 21.2% of average load 0.117907 LDB: Average compute 0.001725 is 1.5% of average load 0.117907 LDB: TIME 4933.76 LOAD: AVG 0.117907 MAX 0.178193 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 4933.76 LOAD: AVG 0.117907 MAX 0.178193 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: TIME 4933.76 LOAD: AVG 0.117907 MAX 0.178193 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4933.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4933.77 PRESSURE: 1700400 -33.0063 29.12 -101.736 29.1205 59.3298 -104.796 -101.736 -104.797 -245.21 GPRESSURE: 1700400 16.1261 7.86186 -64.6509 104.482 96.3321 -147.166 -144.089 -72.701 -238.384 PRESSAVG: 1700400 43.8225 -2.9172 28.9398 -2.9172 -37.0976 -24.25 28.9399 -24.25 10.3177 GPRESSAVG: 1700400 43.985 -4.05871 27.6182 -3.92224 -37.135 -24.104 28.4671 -24.7735 10.5755 TIMING: 1700400 CPU: 4930.67, 0.00294391/step Wall: 4930.67, 0.00294391/step, 2.69825 hours remaining, 209.445312 MB of memory in use. ENERGY: 1700400 747.6326 2075.1113 1935.1360 121.0458 -206581.0724 17928.7669 0.0000 0.0000 34437.3179 -149336.0619 300.7497 -183773.3798 -149237.4658 299.3096 -72.9621 -41.9753 557983.6397 5.6809 5.8085 PRESSURE: 1700600 -198.536 158.681 -119.029 158.681 13.1993 15.9862 -119.029 15.9844 -208.316 GPRESSURE: 1700600 -202.172 116.37 -53.3257 123.379 110.295 -4.48569 -190.983 -1.23861 -205.725 PRESSAVG: 1700600 -7.5152 56.1575 -32.6519 56.1574 35.821 -40.5394 -32.6519 -40.5394 -18.6871 GPRESSAVG: 1700600 -8.34703 56.3924 -31.4139 56.8451 36.3793 -39.7123 -31.9177 -40.2105 -19.0219 TIMING: 1700600 CPU: 4931.26, 0.00290266/step Wall: 4931.26, 0.00290266/step, 2.66029 hours remaining, 209.648438 MB of memory in use. ENERGY: 1700600 744.7657 2080.1532 1963.3685 107.5970 -206421.2161 17924.1758 0.0000 0.0000 34391.7518 -149209.4041 300.3517 -183601.1559 -149109.5077 299.3308 -131.2176 -99.2009 559712.4572 3.2063 3.0035 PRESSURE: 1700800 -19.6627 60.4196 -152.548 60.4183 -14.7348 -10.903 -152.548 -10.9018 -201.62 GPRESSURE: 1700800 -7.33904 61.9243 -190.893 95.9499 31.7357 -47.8634 -184.582 27.4451 -169.092 PRESSAVG: 1700800 -28.2842 25.0196 -19.8634 25.0196 45.2584 17.3932 -19.8633 17.3932 -7.5343 GPRESSAVG: 1700800 -28.0975 25.7246 -21.4512 25.2056 44.81 14.1422 -18.2577 17.6709 -7.14137 TIMING: 1700800 CPU: 4931.84, 0.00291933/step Wall: 4931.84, 0.00291933/step, 2.6754 hours remaining, 209.648438 MB of memory in use. ENERGY: 1700800 743.3982 2099.1484 1971.8438 113.9784 -206348.3263 17799.2063 0.0000 0.0000 34364.5468 -149256.2043 300.1141 -183620.7511 -149162.2534 299.7002 -78.6726 -48.2318 559259.8621 3.1466 3.1904 PRESSURE: 1701000 55.0165 258.125 -140.306 258.124 -151.665 -31.6544 -140.306 -31.6549 27.3915 GPRESSURE: 1701000 75.9404 218.293 -98.0134 269.041 -117.345 -63.6579 -224.712 -19.0956 76.4591 PRESSAVG: 1701000 20.8993 59.2707 34.4816 59.2707 1.45467 -9.61638 34.4816 -9.61635 -30.225 GPRESSAVG: 1701000 20.9328 59.6913 34.3589 57.1878 1.33542 -8.28128 34.0263 -9.85057 -30.6119 TIMING: 1701000 CPU: 4932.42, 0.00290473/step Wall: 4932.42, 0.00290473/step, 2.66187 hours remaining, 209.648438 MB of memory in use. ENERGY: 1701000 752.2206 2029.7140 1965.0472 110.5221 -206355.4657 17964.4650 0.0000 0.0000 34311.6389 -149221.8579 299.6521 -183533.4968 -149124.4324 299.1321 -23.0857 11.6848 559439.7040 -2.6237 -2.7812 PRESSURE: 1701200 36.0433 -67.9471 -48.2164 -67.948 -327.461 63.427 -48.216 63.4264 -67.4466 GPRESSURE: 1701200 43.629 -68.2315 -67.5489 -135.232 -274.763 32.126 13.2213 71.067 -15.9546 PRESSAVG: 1701200 6.60992 32.5408 -20.0849 32.5407 9.36228 6.37004 -20.0847 6.37005 -76.3239 GPRESSAVG: 1701200 6.63435 30.8366 -19.4972 32.4886 8.91525 6.39746 -20.2434 6.27093 -76.2799 TIMING: 1701200 CPU: 4933, 0.00291265/step Wall: 4933, 0.00291265/step, 2.66896 hours remaining, 209.648438 MB of memory in use. ENERGY: 1701200 725.1588 2089.9835 1962.3925 119.1200 -205759.8117 17539.1516 0.0000 0.0000 34164.5947 -149159.4107 298.3679 -183324.0054 -149058.7619 298.7711 -119.6213 -82.3628 557759.5316 -20.1172 -20.2434 PRESSURE: 1701400 14.7809 -130.128 -146.606 -130.129 26.8771 239.921 -146.605 239.922 184.386 GPRESSURE: 1701400 90.1769 -1.96407 -97.6046 -111.304 67.7072 254.784 -190.28 195.339 170.983 PRESSAVG: 1701400 5.02786 -46.5659 -2.57857 -46.5659 -10.9215 -36.8355 -2.57854 -36.8356 -40.6462 GPRESSAVG: 1701400 4.88421 -47.2143 -1.79603 -46.4546 -10.2769 -38.2665 -4.21575 -36.9126 -40.5469 TIMING: 1701400 CPU: 4933.58, 0.00291028/step Wall: 4933.58, 0.00291028/step, 2.66662 hours remaining, 209.648438 MB of memory in use. ENERGY: 1701400 775.7939 1994.0144 1948.1725 108.7842 -206258.4612 17884.5278 0.0000 0.0000 34242.2618 -149304.9067 299.0462 -183547.1685 -149203.0893 299.2292 75.3478 109.6222 557246.6086 -15.5133 -15.3132 PRESSURE: 1701600 -96.2763 -58.9724 -15.1784 -58.9724 80.7904 -13.0807 -15.1773 -13.0822 -36.4784 GPRESSURE: 1701600 -86.5735 -108.62 42.4341 -59.2025 143.188 42.0911 -73.9798 2.0018 -8.53665 PRESSAVG: 1701600 63.2124 -64.4652 -6.64965 -64.4652 -5.21096 -19.508 -6.64957 -19.5079 -79.2019 GPRESSAVG: 1701600 64.2109 -64.896 -7.62422 -63.3057 -6.70986 -16.3075 -7.06104 -20.6971 -78.8054 TIMING: 1701600 CPU: 4934.17, 0.00291321/step Wall: 4934.17, 0.00291321/step, 2.66915 hours remaining, 209.648438 MB of memory in use. ENERGY: 1701600 778.7331 2092.5789 1959.3287 125.9841 -206305.0040 17992.0881 0.0000 0.0000 34072.7795 -149283.5115 297.5661 -183356.2910 -149192.8029 299.1464 -17.3214 16.0258 557511.2343 -7.0668 -7.1014 PRESSURE: 1701800 19.2521 25.678 69.1565 25.6796 -101.794 148.68 69.1571 148.68 -171.924 GPRESSURE: 1701800 31.8561 -67.7599 0.584659 64.9339 -44.4944 145.509 148.157 33.2908 -153.836 PRESSAVG: 1701800 9.81912 48.3047 32.308 48.3046 -17.4106 14.6993 32.308 14.6993 -4.51559 GPRESSAVG: 1701800 9.56393 47.1791 32.2862 48.5273 -17.0479 13.5453 32.0617 16.0964 -4.68567 TIMING: 1701800 CPU: 4934.75, 0.00291753/step Wall: 4934.75, 0.00291753/step, 2.67295 hours remaining, 209.648438 MB of memory in use. ENERGY: 1701800 748.0060 2072.2773 1956.8899 103.2098 -206361.4050 17788.5915 0.0000 0.0000 34351.8309 -149340.5996 300.0031 -183692.4305 -149240.0705 298.8038 -84.8219 -55.4915 557165.3340 -4.0357 -4.0565 PRESSURE: 1702000 14.0556 -50.4562 -78.4258 -50.455 -72.9479 -84.9098 -78.4252 -84.9094 -81.4438 GPRESSURE: 1702000 22.5952 -43.9764 -29.913 -22.1546 -102.075 -143.448 -111.693 -57.6862 22.2199 PRESSAVG: 1702000 31.7278 -36.701 14.8675 -36.7011 19.6919 20.7696 14.8674 20.7696 -17.0766 GPRESSAVG: 1702000 30.9462 -34.4341 14.4436 -40.9957 20.6345 18.2309 15.3924 21.7323 -17.4036 TIMING: 1702000 CPU: 4935.33, 0.00288889/step Wall: 4935.33, 0.00288889/step, 2.64654 hours remaining, 209.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1702000 739.9828 2042.6003 1988.5688 117.5045 -206731.6617 17968.3036 0.0000 0.0000 34289.8972 -149584.8045 299.4622 -183874.7017 -149493.8506 299.4517 -46.7787 -19.0867 556200.7314 11.4477 11.3924 PRESSURE: 1702200 -44.439 -76.969 81.3584 -76.9706 128.58 -30.3536 81.3585 -30.3515 -109.502 GPRESSURE: 1702200 78.8099 -55.5749 130.735 -109.538 73.4147 -96.2162 45.3036 9.59463 -81.2468 PRESSAVG: 1702200 -5.93508 -21.4243 41.6253 -21.4243 96.0261 -25.3605 41.6253 -25.3604 -31.2344 GPRESSAVG: 1702200 -6.82602 -20.9315 40.2924 -20.1316 96.2141 -23.1041 42.8992 -25.4726 -31.0739 TIMING: 1702200 CPU: 4935.91, 0.00289687/step Wall: 4935.91, 0.00289687/step, 2.65369 hours remaining, 209.648438 MB of memory in use. ENERGY: 1702200 747.7056 2090.8763 1955.4031 115.6880 -206438.0218 17839.5238 0.0000 0.0000 34091.9192 -149596.9057 297.7332 -183688.8249 -149504.1131 298.4816 -8.4538 23.6593 555769.7342 19.6188 19.4381 PRESSURE: 1702400 148.452 17.829 -208.715 17.8294 -48.7892 -12.2612 -208.714 -12.2623 184 GPRESSURE: 1702400 171.052 -21.6181 -212.061 54.5496 -28.378 54.1806 -254.849 -2.28013 225.078 PRESSAVG: 1702400 -51.8668 -6.60551 -32.8822 -6.60557 1.66436 49.1513 -32.8821 49.1513 57.6465 GPRESSAVG: 1702400 -50.282 -6.14247 -31.9786 -6.34703 -0.0871358 48.113 -35.2876 47.5643 57.8508 TIMING: 1702400 CPU: 4936.49, 0.00288508/step Wall: 4936.49, 0.00288508/step, 2.64273 hours remaining, 209.648438 MB of memory in use. ENERGY: 1702400 719.5267 2084.4080 1941.3645 113.0763 -206442.3911 17960.3691 0.0000 0.0000 34091.6684 -149531.9782 297.7310 -183623.6466 -149435.8348 297.6858 94.5541 122.5842 555613.7208 2.4813 2.4939 PRESSURE: 1702600 48.8638 -60.1775 101.554 -60.1772 -53.2927 169.81 101.556 169.81 -169.996 GPRESSURE: 1702600 17.8131 -67.8668 119.436 -87.6978 -30.6807 97.3461 38.486 112.077 -65.2308 PRESSAVG: 1702600 -9.85474 -51.1206 -57.2051 -51.1206 3.33362 49.8513 -57.205 49.8513 17.4521 GPRESSAVG: 1702600 -10.393 -51.077 -54.5431 -51.2657 4.62351 50.6534 -56.0203 51.6333 16.9435 TIMING: 1702600 CPU: 4937.06, 0.00287669/step Wall: 4937.06, 0.00287669/step, 2.63489 hours remaining, 209.648438 MB of memory in use. ENERGY: 1702600 758.8611 2009.7810 1961.2234 101.4460 -206395.2435 17746.5894 0.0000 0.0000 34271.2816 -149546.0611 299.2996 -183817.3426 -149442.9241 298.7612 -58.1418 -26.0328 556735.8632 3.6437 3.7246 PRESSURE: 1702800 98.0396 -32.0139 -6.09459 -32.0143 -191.887 -190.031 -6.0955 -190.032 53.4924 GPRESSURE: 1702800 138.345 -33.8908 -69.1952 -37.896 -111.464 -170.389 -31.9049 -204.794 40.7624 PRESSAVG: 1702800 1.31795 -21.8888 1.4542 -21.8888 56.4398 -28.0822 1.45425 -28.0821 -39.0525 GPRESSAVG: 1702800 0.740405 -22.6819 -1.84246 -21.1039 58.2129 -28.0441 3.35423 -29.4946 -40.2414 TIMING: 1702800 CPU: 4937.64, 0.002882/step Wall: 4937.64, 0.002882/step, 2.63959 hours remaining, 209.648438 MB of memory in use. ENERGY: 1702800 742.9043 2105.0910 1962.1520 115.5912 -206303.7950 17854.8453 0.0000 0.0000 34035.1109 -149488.1003 297.2371 -183523.2112 -149394.6318 297.9298 -13.4516 22.5479 557225.3227 6.2351 6.2373 PRESSURE: 1703000 -191.314 60.02 -51.0445 60.0211 -317.46 -83.7537 -51.0454 -83.7526 -217.325 GPRESSURE: 1703000 -182.791 115.042 19.0277 31.7226 -255.441 -101.263 -73.3435 -88.1178 -191.336 PRESSAVG: 1703000 25.4814 16.7294 -9.51386 16.7294 -35.1539 -13.4929 -9.51378 -13.493 68.3472 GPRESSAVG: 1703000 26.2579 17.7664 -7.41039 16.403 -36.8538 -12.0258 -10.6785 -13.2455 68.8937 TIMING: 1703000 CPU: 4938.22, 0.00290652/step Wall: 4938.22, 0.00290652/step, 2.66189 hours remaining, 209.648438 MB of memory in use. ENERGY: 1703000 773.4844 2031.6188 1955.4079 116.0160 -205857.6447 17470.1903 0.0000 0.0000 34115.3272 -149395.6001 297.9376 -183510.9274 -149304.1335 298.2874 -242.0329 -209.8560 557662.0278 19.5582 19.4326 PRESSURE: 1703200 -172.503 26.8916 -35.3186 26.8915 -83.5878 18.1974 -35.3181 18.1974 65.8897 GPRESSURE: 1703200 -84.7142 73.2838 -2.09884 38.7836 -141.109 -53.7096 -71.9794 59.6716 142.894 PRESSAVG: 1703200 -52.819 2.59945 27.072 2.59946 10.8007 -77.4063 27.072 -77.4061 15.5684 GPRESSAVG: 1703200 -52.9115 1.91876 24.8111 1.64834 10.6851 -79.6155 25.8292 -78.2291 15.6312 TIMING: 1703200 CPU: 4938.8, 0.00289008/step Wall: 4938.8, 0.00289008/step, 2.64667 hours remaining, 209.648438 MB of memory in use. ENERGY: 1703200 749.5857 2073.4796 1954.4908 117.0663 -206045.4566 17743.6598 0.0000 0.0000 34091.5440 -149315.6305 297.7299 -183407.1744 -149219.0578 298.8891 -63.4003 -27.6433 557481.1720 -8.8166 -8.8651 PRESSURE: 1703400 13.5499 25.1085 40.6423 25.108 -60.6883 77.8943 40.6434 77.8938 21.04 GPRESSURE: 1703400 51.43 92.2788 87.145 -2.53399 -32.6848 18.6927 120.14 34.7553 50.1662 PRESSAVG: 1703400 -3.78602 20.2527 35.0707 20.2527 -57.9958 26.3496 35.0707 26.3495 53.1067 GPRESSAVG: 1703400 -2.99383 19.222 35.6267 21.3795 -58.0134 27.6367 35.8492 28.1474 52.5615 TIMING: 1703400 CPU: 4939.37, 0.00287143/step Wall: 4939.37, 0.00287143/step, 2.62943 hours remaining, 209.648438 MB of memory in use. ENERGY: 1703400 725.7166 2092.0627 1935.7950 111.6352 -206106.4862 17764.2509 0.0000 0.0000 34256.2946 -149220.7312 299.1687 -183477.0257 -149130.2481 299.6804 -8.6995 22.9705 557009.2543 -2.8917 -2.8152 PRESSURE: 1703600 -506.69 -55.0659 208.757 -55.0663 -336.41 -68.7727 208.758 -68.7714 61.445 GPRESSURE: 1703600 -437.946 -60.2661 231.151 -111.05 -289.178 -71.2001 216.176 -18.5445 50.6477 PRESSAVG: 1703600 -33.6852 -3.33838 10.0499 -3.33836 -72.4888 59.2033 10.0499 59.2032 66.6745 GPRESSAVG: 1703600 -33.7685 -2.55096 9.45906 -4.15559 -73.5306 56.557 9.69311 59.1611 67.0026 TIMING: 1703600 CPU: 4939.95, 0.00289069/step Wall: 4939.95, 0.00289069/step, 2.64691 hours remaining, 209.648438 MB of memory in use. ENERGY: 1703600 744.0037 2075.7638 1957.7053 116.1475 -205903.7424 17523.5684 0.0000 0.0000 34246.4539 -149240.0997 299.0828 -183486.5536 -149147.1824 299.5937 -260.5517 -225.4921 557166.6132 -13.1665 -13.4322 PRESSURE: 1703800 -117.709 49.6578 -77.4852 49.6577 229.202 215.981 -77.4859 215.98 167.787 GPRESSURE: 1703800 -55.7946 28.9526 47.8739 105.76 231.688 227.435 -48.4589 175.057 201.693 PRESSAVG: 1703800 6.51096 -7.9214 55.989 -7.92136 5.11477 44.6664 55.9889 44.6664 -9.46592 GPRESSAVG: 1703800 5.41288 -9.28689 56.56 -7.16819 6.46017 44.6668 56.2714 44.3892 -10.3868 TIMING: 1703800 CPU: 4940.53, 0.00288846/step Wall: 4940.53, 0.00288846/step, 2.64471 hours remaining, 209.648438 MB of memory in use. ENERGY: 1703800 766.7446 2083.4231 1961.1171 118.4117 -206508.9821 17989.3508 0.0000 0.0000 34572.9455 -149016.9892 301.9341 -183589.9347 -148923.4499 300.5015 93.0933 125.8620 555547.3395 0.7199 0.4954 PRESSURE: 1704000 -24.0375 181.35 -25.8961 181.349 14.4767 37.7118 -25.8978 37.712 -13.5908 GPRESSURE: 1704000 0.364738 144.493 11.6266 236.702 22.1854 31.5039 9.07748 39.9556 40.0753 PRESSAVG: 1704000 9.88201 -5.02802 8.6983 -5.02791 -32.8538 -1.40621 8.69838 -1.40632 17.6272 GPRESSAVG: 1704000 10.1979 -5.53299 8.29082 -4.72182 -32.8904 -1.96837 10.0324 -0.261795 17.7458 TIMING: 1704000 CPU: 4941.11, 0.00291994/step Wall: 4941.11, 0.00291994/step, 2.67337 hours remaining, 209.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1704000 774.9126 2058.3607 1954.5700 117.2486 -205863.1146 17748.9689 0.0000 0.0000 34222.1662 -148986.8877 298.8707 -183209.0539 -148896.2275 300.6257 -7.7172 20.8751 556944.7307 -1.7815 -1.6489 PRESSURE: 1704200 -149.633 -83.6254 -94.9569 -83.6253 -56.5584 129.324 -94.9562 129.324 98.5259 GPRESSURE: 1704200 -114.162 -89.7672 -173.559 -19.3254 -26.1785 134.554 -33.6268 91.4734 121.28 PRESSAVG: 1704200 -5.366 -83.5308 35.5808 -83.5307 -12.3186 38.7932 35.5808 38.7931 26.7577 GPRESSAVG: 1704200 -7.46482 -83.7855 36.6821 -82.9316 -11.4302 39.9176 33.6025 38.3062 27.8869 TIMING: 1704200 CPU: 4941.69, 0.00290532/step Wall: 4941.69, 0.00290532/step, 2.65982 hours remaining, 209.648438 MB of memory in use. ENERGY: 1704200 769.9584 2121.8124 1942.4557 115.4323 -205725.1272 17472.0408 0.0000 0.0000 34461.3482 -148842.0795 300.9595 -183303.4277 -148748.4482 299.9511 -35.8885 -6.3537 555977.2498 3.0244 2.9973 LDB: ============= START OF LOAD BALANCING ============== 4945.07 LDB: ============== END OF LOAD BALANCING =============== 4945.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4945.08 LDB: ============= START OF LOAD BALANCING ============== 4945.37 LDB: Largest compute 4820 load 0.024069 is 20.4% of average load 0.117937 LDB: Average compute 0.001723 is 1.5% of average load 0.117937 LDB: TIME 4945.37 LOAD: AVG 0.117937 MAX 0.180057 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 4945.37 LOAD: AVG 0.117937 MAX 0.180057 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 4945.37 LOAD: AVG 0.117937 MAX 0.180057 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: ============== END OF LOAD BALANCING =============== 4945.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4945.37 PRESSURE: 1704400 116.038 -61.1467 42.0008 -61.1452 -272.409 45.2968 42.0014 45.2975 -143.609 GPRESSURE: 1704400 109.984 -39.4459 147.027 -85.9648 -303.403 38.3771 20.4341 31.1955 -27.5909 PRESSAVG: 1704400 14.2558 -20.0341 13.6683 -20.034 -4.52194 39.1768 13.6683 39.1768 44.6729 GPRESSAVG: 1704400 15.6811 -20.3579 14.3492 -19.3246 -5.21389 40.4826 11.8923 36.505 43.7489 TIMING: 1704400 CPU: 4942.28, 0.0029375/step Wall: 4942.28, 0.0029375/step, 2.68911 hours remaining, 208.929688 MB of memory in use. ENERGY: 1704400 732.9592 2102.9086 1942.1825 116.5878 -206094.9380 17649.3987 0.0000 0.0000 34519.1350 -149031.7663 301.4642 -183550.9012 -148936.9134 300.3505 -99.9933 -73.6699 557956.3756 18.1356 18.0720 PRESSURE: 1704600 -6.85067 -2.65696 82.7535 -2.65554 -249.06 -44.4158 82.7541 -44.4155 -67.4 GPRESSURE: 1704600 82.7323 -85.1704 77.1417 13.5249 -214.866 -11.3832 78.3296 -94.2164 -104.607 PRESSAVG: 1704600 62.9853 -1.44497 22.9186 -1.44498 -24.9794 -2.03769 22.9186 -2.03753 -13.3489 GPRESSAVG: 1704600 62.344 -0.0671512 21.5314 -1.7685 -25.9999 -3.42965 24.3663 0.551836 -11.9108 TIMING: 1704600 CPU: 4942.86, 0.00289104/step Wall: 4942.86, 0.00289104/step, 2.64643 hours remaining, 208.929688 MB of memory in use. ENERGY: 1704600 766.9119 2076.1285 1933.6082 117.2249 -206170.1157 17682.0695 0.0000 0.0000 34593.6104 -149000.5622 302.1146 -183594.1727 -148898.0986 300.0787 -107.7701 -78.9135 558812.4945 8.2190 8.1444 PRESSURE: 1704800 140.389 3.17138 -28.8725 3.1721 -108.185 94.712 -28.8723 94.7115 90.8538 GPRESSURE: 1704800 148.073 -37.9706 53.8048 74.3258 -69.8588 52.426 -0.644756 91.9357 138.321 PRESSAVG: 1704800 23.4707 -9.95317 31.4423 -9.95318 -22.9623 -45.2209 31.4422 -45.2209 -19.2778 GPRESSAVG: 1704800 22.6643 -11.4201 31.9445 -10.5701 -21.745 -44.4792 31.8996 -44.3517 -19.3987 TIMING: 1704800 CPU: 4943.44, 0.00289891/step Wall: 4943.44, 0.00289891/step, 2.65347 hours remaining, 208.929688 MB of memory in use. ENERGY: 1704800 760.6842 2039.3117 1990.1589 108.7278 -205950.3243 17710.2497 0.0000 0.0000 34237.6698 -149103.5222 299.0061 -183341.1920 -149014.1017 299.5371 41.0193 72.1785 557346.4427 -6.2565 -6.1598 PRESSURE: 1705000 -113.501 0.0636491 106.182 0.0646734 -368.958 -9.70689 106.182 -9.70682 -62.7508 GPRESSURE: 1705000 -67.5146 -55.5532 -1.43065 68.6717 -350.591 55.7462 151.428 38.6651 -20.2191 PRESSAVG: 1705000 -1.46103 37.1726 -29.8824 37.1726 11.1695 -26.4583 -29.8824 -26.4583 -28.9303 GPRESSAVG: 1705000 -0.615177 36.3778 -30.2321 39.2673 10.4543 -26.6312 -29.4572 -27.3838 -28.9827 TIMING: 1705000 CPU: 4944.02, 0.00290107/step Wall: 4944.02, 0.00290107/step, 2.65529 hours remaining, 208.929688 MB of memory in use. ENERGY: 1705000 781.3625 2058.9499 1940.8597 124.2198 -205682.3876 17396.7363 0.0000 0.0000 34239.9938 -149140.2655 299.0264 -183380.2593 -149048.1317 299.2541 -181.7366 -146.1082 558237.0274 -6.4073 -6.3812 PRESSURE: 1705200 233.699 55.8723 158.871 55.8747 72.1623 20.979 158.871 20.9784 252.337 GPRESSURE: 1705200 296.087 5.12406 80.6904 -7.66269 99.6502 87.4363 136.041 -14.3987 269.025 PRESSAVG: 1705200 9.80721 55.5088 3.38291 55.5088 3.7598 2.11657 3.38291 2.11655 -15.4478 GPRESSAVG: 1705200 9.68119 57.9074 3.56697 51.8579 4.24377 -0.0381881 1.74409 1.96374 -16.0475 TIMING: 1705200 CPU: 4944.6, 0.00290686/step Wall: 4944.6, 0.00290686/step, 2.66042 hours remaining, 208.929688 MB of memory in use. ENERGY: 1705200 721.9431 2031.3483 1978.6892 126.0394 -206121.9368 17957.8258 0.0000 0.0000 34386.1320 -148919.9592 300.3026 -183306.0912 -148822.7153 299.8752 186.0661 221.5872 557072.4470 -0.6269 -0.7075 PRESSURE: 1705400 -228.469 23.4435 -35.4995 23.4437 1.99747 -36.8413 -35.4992 -36.8417 -290.673 GPRESSURE: 1705400 -181.879 84.7319 51.902 35.3489 26.0766 -101.993 -76.1622 -87.0985 -263.148 PRESSAVG: 1705400 -16.7453 61.6246 -4.0027 61.6246 74.0768 -17.5386 -4.00271 -17.5386 -50.9749 GPRESSAVG: 1705400 -16.3582 60.6704 -3.4081 62.9761 73.9306 -13.7793 -4.56989 -19.8161 -50.9448 TIMING: 1705400 CPU: 4945.18, 0.0029023/step Wall: 4945.18, 0.0029023/step, 2.65609 hours remaining, 208.929688 MB of memory in use. ENERGY: 1705400 747.7864 2066.3428 1961.7062 118.8616 -205642.8819 17502.3442 0.0000 0.0000 34295.8102 -148950.0305 299.5138 -183245.8407 -148848.8098 300.2953 -172.3817 -139.6499 558294.7102 2.1189 2.2092 PRESSURE: 1705600 -170.854 91.963 -23.5224 91.9611 213.633 -114.978 -23.521 -114.979 -145.051 GPRESSURE: 1705600 -156.736 37.3325 -101.493 103.758 244.482 -25.1713 66.6933 -119.026 -101.427 PRESSAVG: 1705600 9.99487 31.8531 23.6124 31.8531 2.91588 -4.36754 23.6124 -4.3676 31.8944 GPRESSAVG: 1705600 8.65013 29.9679 23.2969 33.5194 2.88686 -6.87476 22.9046 -1.38988 32.7896 TIMING: 1705600 CPU: 4945.76, 0.00290614/step Wall: 4945.76, 0.00290614/step, 2.65944 hours remaining, 208.929688 MB of memory in use. ENERGY: 1705600 711.4055 2089.1719 1965.0174 110.2297 -205694.9265 17502.9210 0.0000 0.0000 34344.4521 -148971.7289 299.9386 -183316.1810 -148875.5532 299.7870 -34.0907 -4.5602 558943.6459 14.9351 14.7755 PRESSURE: 1705800 -96.8385 23.5181 47.8372 23.5181 -247.659 90.7359 47.8366 90.7356 56.2792 GPRESSURE: 1705800 -47.8493 46.4055 54.0153 58.3416 -237.788 188.647 23.5133 4.56718 80.0191 PRESSAVG: 1705800 -13.3129 4.05354 2.44867 4.05364 -35.4997 22.3352 2.44872 22.3352 -17.8454 GPRESSAVG: 1705800 -12.5328 8.00535 3.72767 1.65794 -35.555 24.138 2.31155 22.6522 -18.5264 TIMING: 1705800 CPU: 4946.34, 0.00287949/step Wall: 4946.34, 0.00287949/step, 2.63489 hours remaining, 208.929688 MB of memory in use. ENERGY: 1705800 695.3473 2056.7487 1947.3115 102.2983 -205692.5884 17583.1215 0.0000 0.0000 34228.2067 -149079.5543 298.9234 -183307.7610 -148987.5132 299.4342 -96.0727 -68.5394 558256.4794 -22.2194 -22.2048 PRESSURE: 1706000 -181.823 -149.07 -16.3002 -149.07 79.9477 -69.2224 -16.3006 -69.2212 -147.105 GPRESSURE: 1706000 -101.581 -161.4 89.5574 -138.06 122.127 -141.691 4.51994 -16.5159 -168.373 PRESSAVG: 1706000 -60.5981 68.1863 -3.62122 68.1864 81.8328 63.9793 -3.62114 63.9793 13.5542 GPRESSAVG: 1706000 -60.65 66.5503 -5.86947 69.099 81.9709 63.268 -3.01046 64.4674 13.7643 TIMING: 1706000 CPU: 4946.91, 0.00286583/step Wall: 4946.91, 0.00286583/step, 2.62224 hours remaining, 208.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1706000 741.3511 2095.7493 1929.7232 109.3138 -205479.6204 17397.2258 0.0000 0.0000 34316.8861 -148889.3710 299.6979 -183206.2571 -148793.9242 299.6371 -82.9935 -49.2756 557300.8772 11.5963 11.6951 PRESSURE: 1706200 -18.7694 -131.062 -232.875 -131.061 -284.99 65.1628 -232.875 65.1648 -186.356 GPRESSURE: 1706200 14.0367 -169.076 -223.152 -87.9273 -281.374 49.1705 -257.937 96.8169 -128.014 PRESSAVG: 1706200 44.0615 -37.507 3.57682 -37.5069 -40.4355 -8.43059 3.57688 -8.43062 14.0916 GPRESSAVG: 1706200 43.9879 -36.7644 3.07103 -39.6151 -41.0313 -9.49766 4.10363 -9.59909 14.1972 TIMING: 1706200 CPU: 4947.48, 0.00286708/step Wall: 4947.48, 0.00286708/step, 2.62322 hours remaining, 208.929688 MB of memory in use. ENERGY: 1706200 752.1433 2087.1948 1957.5466 116.5482 -205723.6719 17471.5404 0.0000 0.0000 34361.0633 -148977.6353 300.0837 -183338.6985 -148884.5394 300.5550 -163.3718 -131.7837 556945.2227 5.9059 5.7179 PRESSURE: 1706400 164.073 -55.2081 92.9716 -55.2094 102.028 -178.345 92.9711 -178.347 -112.085 GPRESSURE: 1706400 171.606 -112.136 49.6058 -6.53819 114.198 -231.168 55.5675 -187.028 -16.7696 PRESSAVG: 1706400 -4.8305 -53.9385 -18.6047 -53.9386 62.3 56.4785 -18.6048 56.4784 -25.8255 GPRESSAVG: 1706400 -4.15825 -54.1759 -16.541 -53.6333 61.4092 56.8473 -17.7545 58.6165 -25.2837 TIMING: 1706400 CPU: 4948.06, 0.00287019/step Wall: 4948.06, 0.00287019/step, 2.62591 hours remaining, 208.929688 MB of memory in use. ENERGY: 1706400 700.9363 2031.8611 1949.4302 96.7223 -205885.2309 17748.5170 0.0000 0.0000 34354.1626 -149003.6014 300.0234 -183357.7640 -148911.3540 299.9299 51.3388 89.6783 556778.3808 10.5480 10.6557 PRESSURE: 1706600 -119.108 -224.509 81.4372 -224.508 203.78 53.5344 81.4366 53.5342 165.989 GPRESSURE: 1706600 -53.0073 -145.147 130.336 -300.892 255.395 108.072 -18.1943 -23.1066 142.456 PRESSAVG: 1706600 43.9987 -57.7065 12.5147 -57.7065 -55.8911 53.9826 12.5146 53.9826 11.1567 GPRESSAVG: 1706600 42.9952 -58.3674 12.312 -56.9977 -54.9013 53.2888 10.2753 51.147 11.3367 TIMING: 1706600 CPU: 4948.63, 0.0028829/step Wall: 4948.63, 0.0028829/step, 2.63737 hours remaining, 209.050781 MB of memory in use. ENERGY: 1706600 749.2248 2113.4587 1938.3196 121.4209 -206328.1037 17832.4197 0.0000 0.0000 34468.6602 -149104.5998 301.0234 -183573.2600 -149006.0736 300.1968 83.5535 114.9480 557332.4773 -0.2452 -0.1898 PRESSURE: 1706800 -108.756 -47.837 154.476 -47.8379 91.3951 37.7137 154.476 37.7139 147.838 GPRESSURE: 1706800 -62.0565 -50.6306 69.5586 -46.3356 88.9448 14.6269 172.054 99.1877 208.654 PRESSAVG: 1706800 -62.8217 -65.2909 -17.8172 -65.2909 33.7194 3.72489 -17.8173 3.72499 18.4265 GPRESSAVG: 1706800 -63.1832 -66.9079 -19.2267 -63.5654 33.5188 4.01881 -15.6745 5.50726 19.2096 TIMING: 1706800 CPU: 4949.2, 0.00284408/step Wall: 4949.2, 0.00284408/step, 2.6017 hours remaining, 209.050781 MB of memory in use. ENERGY: 1706800 783.4063 2106.6938 1925.5734 129.9514 -206370.3125 17940.0414 0.0000 0.0000 34337.0923 -149147.5538 299.8744 -183484.6461 -149052.3276 299.3815 43.4923 78.5140 556666.1195 -3.5586 -3.4849 PRESSURE: 1707000 -3.19285 -192.383 -270.926 -192.384 87.2366 109.084 -270.926 109.083 -9.09619 GPRESSURE: 1707000 18.6758 -242.148 -249.72 -96.6837 120.163 106.712 -330.781 19.1554 28.7028 PRESSAVG: 1707000 -19.05 -10.899 -12.4789 -10.899 39.7662 58.9785 -12.479 58.9783 -1.79198 GPRESSAVG: 1707000 -19.0075 -9.52912 -11.0708 -10.978 40.1144 59.872 -12.8894 57.5082 -2.17489 TIMING: 1707000 CPU: 4949.78, 0.0028767/step Wall: 4949.78, 0.0028767/step, 2.63138 hours remaining, 209.050781 MB of memory in use. ENERGY: 1707000 727.3826 2087.6744 1945.1454 122.2065 -206029.9050 17788.6096 0.0000 0.0000 34154.0453 -149204.8412 298.2758 -183358.8865 -149106.6770 298.6985 24.9825 55.8471 558008.6086 6.3081 6.3107 PRESSURE: 1707200 -307.948 103.782 -11.2894 103.782 305.396 -71.4002 -11.2879 -71.4018 19.5027 GPRESSURE: 1707200 -256.264 55.8575 -39.0211 71.0123 326.985 -108.264 1.841 17.2112 49.1663 PRESSAVG: 1707200 -5.42424 9.3631 -25.3187 9.36322 -12.3866 -3.72157 -25.3188 -3.72168 22.1659 GPRESSAVG: 1707200 -4.65098 9.87874 -27.5643 8.79084 -12.8685 -2.70866 -23.9908 -4.1709 21.5892 TIMING: 1707200 CPU: 4950.35, 0.00288024/step Wall: 4950.35, 0.00288024/step, 2.63446 hours remaining, 209.050781 MB of memory in use. ENERGY: 1707200 737.2639 2051.0281 1922.5366 114.6597 -206173.2761 17765.6735 0.0000 0.0000 34366.2678 -149215.8465 300.1292 -183582.1143 -149119.2545 299.3536 5.6503 39.9624 557011.2310 1.4517 1.3566 PRESSURE: 1707400 11.3485 -89.0683 129.85 -89.0687 -84.7169 67.8967 129.85 67.8976 -104.534 GPRESSURE: 1707400 76.468 -105.801 85.9874 -106.766 -68.5444 -13.099 82.7214 20.5055 -89.1196 PRESSAVG: 1707400 -34.1598 33.8921 -25.5163 33.892 43.3834 -45.7438 -25.5163 -45.7438 9.1071 GPRESSAVG: 1707400 -34.7946 33.4595 -25.6493 33.6206 43.7634 -46.5064 -25.8484 -46.0387 9.54533 TIMING: 1707400 CPU: 4950.93, 0.00286315/step Wall: 4950.93, 0.00286315/step, 2.61867 hours remaining, 209.050781 MB of memory in use. ENERGY: 1707400 779.6564 2116.1681 1927.3656 96.7306 -205875.2458 17747.0282 0.0000 0.0000 34077.1400 -149131.1570 297.6041 -183208.2969 -149033.7255 298.8142 -59.3007 -27.0653 557885.8979 6.1102 6.1714 PRESSURE: 1707600 96.2245 14.4854 36.7693 14.4867 86.4925 -26.6844 36.7688 -26.6857 86.3075 GPRESSURE: 1707600 161.925 30.0804 -3.96911 3.47503 133.86 15.2258 111.778 -86.4386 63.0923 PRESSAVG: 1707600 30.2009 40.3739 47.9289 40.3739 32.9728 0.149228 47.9289 0.149152 -43.9047 GPRESSAVG: 1707600 30.5368 41.9582 50.3622 39.5354 33.1827 -0.777462 46.1899 1.23436 -44.2715 TIMING: 1707600 CPU: 4951.5, 0.00287709/step Wall: 4951.5, 0.00287709/step, 2.63126 hours remaining, 209.050781 MB of memory in use. ENERGY: 1707600 722.9348 2129.8754 1951.5474 113.3728 -206335.7479 18021.4757 0.0000 0.0000 34322.6727 -149073.8691 299.7484 -183396.5418 -148975.5085 299.0367 89.6748 119.6258 557789.3423 6.4230 6.4827 PRESSURE: 1707800 -2.26443 -126.219 204.042 -126.218 -8.26612 116.661 204.042 116.66 23.2297 GPRESSURE: 1707800 43.6974 -55.224 243.53 -221.614 38.7903 172.004 158.996 90.0858 31.0118 PRESSAVG: 1707800 7.52353 -8.33206 33.6168 -8.33204 22.0827 -15.0202 33.6168 -15.0203 17.582 GPRESSAVG: 1707800 7.69954 -10.1501 33.01 -5.56381 22.3365 -14.9672 35.3319 -15.1287 16.6779 TIMING: 1707800 CPU: 4952.08, 0.00287853/step Wall: 4952.08, 0.00287853/step, 2.63241 hours remaining, 209.050781 MB of memory in use. ENERGY: 1707800 739.3749 2076.2357 1953.5474 123.4530 -206016.0264 17714.8811 0.0000 0.0000 34122.8358 -149285.6986 298.0032 -183408.5343 -149192.8868 299.2035 4.2330 37.8331 557981.5938 15.7294 15.5713 PRESSURE: 1708000 -467.259 -25.5376 27.6998 -25.5397 90.9966 -89.8407 27.7008 -89.8392 -44.3972 GPRESSURE: 1708000 -361.155 -56.3532 27.127 -4.78054 106.647 -39.9471 76.2595 -73.573 -68.5692 PRESSAVG: 1708000 -32.7342 -13.4839 50.0343 -13.484 47.4898 11.6878 50.0343 11.6877 -45.4649 GPRESSAVG: 1708000 -32.6318 -15.2328 48.6465 -15.8818 45.8887 12.6248 48.2561 11.1497 -44.0353 TIMING: 1708000 CPU: 4952.65, 0.00286631/step Wall: 4952.65, 0.00286631/step, 2.62108 hours remaining, 209.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1708000 740.0893 2122.3365 1944.9586 99.7520 -205716.5026 17627.8044 0.0000 0.0000 34127.3348 -149054.2270 298.0425 -183181.5618 -148951.7623 299.2272 -140.2198 -107.6922 559495.2253 -10.2364 -10.2595 PRESSURE: 1708200 15.285 -43.1045 -339.758 -43.1054 -209.891 15.043 -339.757 15.0416 9.48612 GPRESSURE: 1708200 -16.6056 -69.2367 -330.452 -46.602 -108.761 -60.3912 -237.633 27.2126 33.4734 PRESSAVG: 1708200 -2.64388 32.2864 -0.840751 32.2864 -28.1609 -62.2091 -0.840845 -62.2091 52.1333 GPRESSAVG: 1708200 -2.63952 32.6481 0.639657 33.4118 -27.3195 -64.0675 -1.51939 -60.5316 51.0186 TIMING: 1708200 CPU: 4953.23, 0.00288717/step Wall: 4953.23, 0.00288717/step, 2.63999 hours remaining, 209.050781 MB of memory in use. ENERGY: 1708200 744.8889 2076.8492 1965.7209 98.7587 -206152.6838 17848.3796 0.0000 0.0000 34330.0620 -149088.0245 299.8130 -183418.0865 -148989.9464 298.9168 -61.7066 -30.6310 558665.7815 7.1095 7.0199 LDB: ============= START OF LOAD BALANCING ============== 4956.61 LDB: ============== END OF LOAD BALANCING =============== 4956.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4956.62 LDB: ============= START OF LOAD BALANCING ============== 4956.9 LDB: Largest compute 4820 load 0.024602 is 20.9% of average load 0.117926 LDB: Average compute 0.001723 is 1.5% of average load 0.117926 LDB: TIME 4956.91 LOAD: AVG 0.117926 MAX 0.180133 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.105 MB LDB: TIME 4956.91 LOAD: AVG 0.117926 MAX 0.180133 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.309 MB LDB: TIME 4956.91 LOAD: AVG 0.117926 MAX 0.180133 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4956.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4956.91 PRESSURE: 1708400 267.542 3.4724 -31.1553 3.47257 -100.59 -131.988 -31.1548 -131.989 -70.1781 GPRESSURE: 1708400 294.99 53.2718 -5.82447 91.2435 -64.9607 -118.361 -31.4055 -124.466 -48.0129 PRESSAVG: 1708400 -0.319272 3.13414 -37.5905 3.13417 16.2599 -26.4852 -37.5906 -26.4852 -45.5974 GPRESSAVG: 1708400 -0.382487 5.86082 -37.5457 2.03598 15.9054 -24.8036 -36.0216 -27.8625 -45.4906 TIMING: 1708400 CPU: 4953.82, 0.00294738/step Wall: 4953.82, 0.00294738/step, 2.69488 hours remaining, 207.917969 MB of memory in use. ENERGY: 1708400 729.1127 2074.9200 1951.4036 109.2476 -206232.8885 17856.5013 0.0000 0.0000 34313.2456 -149198.4578 299.6661 -183511.7033 -149105.2589 299.4257 32.2581 60.6722 558346.3248 -9.8856 -9.9892 PRESSURE: 1708600 197.08 62.2056 -160.558 62.2042 -153.783 -165.204 -160.558 -165.204 -319.839 GPRESSURE: 1708600 205.735 36.4262 -111.44 73.6733 -103.775 -190.533 -130.816 -67.068 -279.371 PRESSAVG: 1708600 -47.4761 -1.8154 -24.4929 -1.81533 25.3031 -75.6147 -24.4929 -75.6147 14.6942 GPRESSAVG: 1708600 -47.5118 -3.56562 -24.7645 -1.90315 24.9995 -76.929 -25.3118 -73.5125 14.8713 TIMING: 1708600 CPU: 4954.4, 0.00290661/step Wall: 4954.4, 0.00290661/step, 2.65745 hours remaining, 208.472656 MB of memory in use. ENERGY: 1708600 686.1145 2128.9923 1984.0627 117.7898 -206126.6827 17747.2527 0.0000 0.0000 34085.3677 -149377.1029 297.6760 -183462.4706 -149280.5324 298.7794 -92.1806 -59.1371 558398.6764 -2.4930 -2.5470 PRESSURE: 1708800 9.97064 32.8914 -56.9736 32.8923 -346.38 -11.5996 -56.974 -11.5986 -178.114 GPRESSURE: 1708800 -0.836331 -31.7358 -25.5129 98.0379 -279.957 72.8145 -38.6386 -24.8804 -133.277 PRESSAVG: 1708800 -3.27055 17.5366 8.51654 17.5366 -10.5913 -45.4498 8.51652 -45.4497 -10.0236 GPRESSAVG: 1708800 -4.26992 15.7318 4.36866 19.2844 -9.75648 -44.9398 11.32 -46.6082 -9.98513 TIMING: 1708800 CPU: 4954.98, 0.00292331/step Wall: 4954.98, 0.00292331/step, 2.67256 hours remaining, 208.472656 MB of memory in use. ENERGY: 1708800 760.5693 2088.9929 1967.0040 123.0791 -206062.1989 17666.0106 0.0000 0.0000 34216.4747 -149240.0683 298.8210 -183456.5430 -149149.8576 299.0845 -171.5081 -138.0234 559586.8436 -7.9618 -8.0038 PRESSURE: 1709000 -105.026 -45.223 55.0927 -45.2224 336.164 101.026 55.0926 101.025 9.09178 GPRESSURE: 1709000 -68.646 -66.8436 72.4374 -35.1179 354.75 17.6213 1.77494 128.192 42.2244 PRESSAVG: 1709000 17.4472 47.2778 -90.831 47.2778 -12.1832 -7.09326 -90.8308 -7.09327 19.7575 GPRESSAVG: 1709000 17.4199 49.0903 -87.6466 46.9019 -12.7217 -6.26966 -92.6221 -7.27513 20.3277 TIMING: 1709000 CPU: 4955.57, 0.00291057/step Wall: 4955.57, 0.00291057/step, 2.66074 hours remaining, 208.472656 MB of memory in use. ENERGY: 1709000 771.3979 2064.5131 1966.4135 123.6497 -206435.3992 17955.9436 0.0000 0.0000 34416.8997 -149136.5818 300.5713 -183553.4815 -149039.4753 299.9298 80.0765 109.4430 555931.1396 8.3405 8.3420 PRESSURE: 1709200 388.656 -20.1325 71.1982 -20.1331 225.368 19.1243 71.1985 19.1271 197.71 GPRESSURE: 1709200 360.188 -63.7948 106.914 -13.2594 304.598 -43.8203 -41.2405 -43.36 236.033 PRESSAVG: 1709200 81.4917 -5.14563 2.39595 -5.14558 -10.9639 2.24613 2.39604 2.24599 -52.7626 GPRESSAVG: 1709200 83.5241 -5.15815 2.30051 -4.65616 -11.2508 1.16438 2.55994 1.41501 -54.538 TIMING: 1709200 CPU: 4956.15, 0.00291827/step Wall: 4956.15, 0.00291827/step, 2.66762 hours remaining, 208.472656 MB of memory in use. ENERGY: 1709200 726.8764 2028.0496 1953.6142 105.7038 -206546.8540 18342.2669 0.0000 0.0000 34194.6823 -149195.6607 298.6307 -183390.3430 -149088.0061 299.1345 270.5781 300.2727 556371.6285 5.9217 5.9118 PRESSURE: 1709400 -308.302 70.5739 33.4316 70.5744 -159.949 -14.8656 33.4326 -14.8656 -52.1564 GPRESSURE: 1709400 -282.39 98.4131 -20.2035 -53.1364 -87.9769 15.9275 -67.9295 -42.9821 -41.4585 PRESSAVG: 1709400 -22.7553 -21.2857 -40.2726 -21.2856 2.27826 -5.98894 -40.2726 -5.98918 51.8501 GPRESSAVG: 1709400 -24.6106 -22.1786 -40.7535 -22.8609 3.24124 -5.20408 -39.3553 -5.5694 53.3346 TIMING: 1709400 CPU: 4956.73, 0.00290203/step Wall: 4956.73, 0.00290203/step, 2.65262 hours remaining, 208.472656 MB of memory in use. ENERGY: 1709400 759.6429 2096.0818 1939.1152 111.9084 -205944.1225 17569.2104 0.0000 0.0000 34401.8881 -149066.2757 300.4402 -183468.1638 -148975.8394 299.0965 -173.4692 -137.2751 558583.2987 10.4577 10.6551 PRESSURE: 1709600 -160.355 128.127 149.101 128.128 -14.02 -36.3693 149.1 -36.3704 -130.228 GPRESSURE: 1709600 -117.506 163.316 209.323 64.7763 14.36 45.4572 63.5455 -96.7436 -109.922 PRESSAVG: 1709600 14.1489 22.1044 19.3399 22.1044 -6.93973 32.6891 19.3399 32.6891 -16.4377 GPRESSAVG: 1709600 13.9417 23.0876 18.5114 24.3235 -6.85013 33.1829 19.2156 32.5238 -16.0957 TIMING: 1709600 CPU: 4957.31, 0.00291969/step Wall: 4957.31, 0.00291969/step, 2.6686 hours remaining, 208.472656 MB of memory in use. ENERGY: 1709600 773.9205 2088.5626 1956.4137 104.2528 -205858.0079 17677.1989 0.0000 0.0000 34194.5887 -149063.0707 298.6298 -183257.6594 -148969.3256 299.3887 -101.5343 -71.0226 558154.1856 -3.0762 -3.0014 PRESSURE: 1709800 -123.46 -99.9937 35.3688 -99.9941 -394.74 -4.22645 35.3692 -4.22604 -173.741 GPRESSURE: 1709800 -122.25 -125.29 -18.2721 -71.1542 -319.834 -1.61106 62.4028 12.1589 -153.287 PRESSAVG: 1709800 -29.0236 36.4354 -53.3309 36.4354 -7.4759 33.3624 -53.3309 33.3624 5.13005 GPRESSAVG: 1709800 -28.4035 36.2376 -52.3142 35.9384 -7.65622 31.1374 -53.1965 33.7782 5.14705 TIMING: 1709800 CPU: 4957.89, 0.00289395/step Wall: 4957.89, 0.00289395/step, 2.64491 hours remaining, 208.472656 MB of memory in use. ENERGY: 1709800 743.9558 2074.0338 1936.2474 120.3512 -205392.3997 17288.4948 0.0000 0.0000 34375.5274 -148853.7891 300.2100 -183229.3166 -148755.2866 300.0720 -230.6470 -198.4567 558327.1350 -10.4565 -10.3042 PRESSURE: 1710000 -151.944 101.011 92.9587 101.009 176.362 -19.7545 92.9587 -19.7547 -189.271 GPRESSURE: 1710000 -122.893 61.5257 97.1497 104.173 191.958 -56.9713 38.2019 -7.40396 -139.685 PRESSAVG: 1710000 55.1583 -37.8566 -75.8162 -37.8565 -4.16017 25.2899 -75.8162 25.29 -77.7694 GPRESSAVG: 1710000 55.9367 -38.1088 -74.9064 -36.4969 -4.23124 27.842 -77.4513 24.5051 -78.8837 TIMING: 1710000 CPU: 4958.47, 0.00289093/step Wall: 4958.47, 0.00289093/step, 2.64199 hours remaining, 208.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1710000 736.1990 2093.9500 1957.7621 129.0048 -205979.4620 17783.9486 0.0000 0.0000 34407.9729 -148870.6245 300.4934 -183278.5974 -148771.6805 299.9345 -54.9512 -23.5400 559115.5370 -8.9238 -9.0594 PRESSURE: 1710200 116.663 132.135 139.976 132.134 167.215 -112.518 139.974 -112.518 99.9632 GPRESSURE: 1710200 106.311 137.876 223.901 184.84 258.71 -34.653 176.716 -187.451 118.188 PRESSAVG: 1710200 -74.3482 -28.208 6.06026 -28.208 21.3202 -37.0417 6.06019 -37.0417 13.3417 GPRESSAVG: 1710200 -75.1088 -26.434 4.51526 -28.6184 20.8968 -39.6654 8.71591 -35.2936 14.3688 TIMING: 1710200 CPU: 4959.05, 0.00288314/step Wall: 4959.05, 0.00288314/step, 2.63471 hours remaining, 208.472656 MB of memory in use. ENERGY: 1710200 762.8018 2060.9075 1956.8488 125.1163 -206210.0093 18024.6521 0.0000 0.0000 34323.7834 -148955.8995 299.7581 -183279.6829 -148859.6472 300.2983 127.9470 161.0695 557660.2783 -13.2288 -13.2810 PRESSURE: 1710400 -146.681 18.9816 83.8733 18.9812 -55.8392 178.978 83.8737 178.979 -126.791 GPRESSURE: 1710400 -185.957 88.292 160.583 -12.8275 -14.4802 138.909 -57.9818 255.257 -43.1794 PRESSAVG: 1710400 -17.7756 -37.9234 31.8286 -37.9235 41.5987 37.2662 31.8286 37.2661 31.2974 GPRESSAVG: 1710400 -16.9522 -38.0225 32.3364 -39.2278 41.2209 39.1104 30.4266 37.6434 31.3989 TIMING: 1710400 CPU: 4959.62, 0.00287056/step Wall: 4959.62, 0.00287056/step, 2.62305 hours remaining, 208.472656 MB of memory in use. ENERGY: 1710400 770.7819 1995.1479 1963.2831 119.5405 -205975.3608 17740.4766 0.0000 0.0000 34342.1870 -149043.9439 299.9189 -183386.1309 -148944.6214 300.2233 -109.7705 -81.2055 556722.3522 18.3735 18.5558 PRESSURE: 1710600 -258.71 -3.44559 -80.916 -3.44461 24.4147 -110.404 -80.9179 -110.403 41.7422 GPRESSURE: 1710600 -182.511 16.8415 -92.3425 -4.20849 -5.8595 22.2273 -63.642 -120.433 104.011 PRESSAVG: 1710600 -13.5039 26.6467 3.41317 26.6468 -0.858369 9.5115 3.41327 9.5116 48.4828 GPRESSAVG: 1710600 -14.0115 26.3477 4.20849 25.8466 -0.296934 9.1705 3.7337 9.81786 48.3879 TIMING: 1710600 CPU: 4960.2, 0.00288761/step Wall: 4960.2, 0.00288761/step, 2.63847 hours remaining, 208.472656 MB of memory in use. ENERGY: 1710600 731.8931 2041.7770 1948.4629 118.2563 -205849.2451 17777.1937 0.0000 0.0000 34326.1017 -148905.5604 299.7784 -183231.6621 -148804.6757 300.2483 -64.1842 -28.1197 558204.1277 11.3735 11.3598 PRESSURE: 1710800 -62.8821 -113.586 111.43 -113.588 -190.277 151.855 111.431 151.854 -54.3819 GPRESSURE: 1710800 -7.26383 -133.688 89.3646 -109.298 -158.346 262.849 118.703 56.994 -40.8303 PRESSAVG: 1710800 -20.3307 4.9793 39.7138 4.97929 -31.6487 45.7224 39.7138 45.7224 51.9883 GPRESSAVG: 1710800 -19.9541 5.81139 38.9529 5.81586 -31.7641 45.2277 40.2732 44.8593 51.5962 TIMING: 1710800 CPU: 4960.78, 0.00291314/step Wall: 4960.78, 0.00291314/step, 2.66164 hours remaining, 208.472656 MB of memory in use. ENERGY: 1710800 759.7538 2001.1814 1973.9228 125.4992 -205688.5990 17679.4850 0.0000 0.0000 34358.2701 -148790.4866 300.0593 -183148.7567 -148700.2352 300.3111 -102.5137 -68.8134 559258.2055 0.0030 -0.0407 PRESSURE: 1711000 -270.723 -40.5085 -16.9681 -40.5082 -162.902 89.2342 -16.9691 89.2339 116.892 GPRESSURE: 1711000 -182.296 -111.371 -33.2585 -92.4334 -155.867 11.2317 -9.31202 112.189 124.342 PRESSAVG: 1711000 -50.6683 -8.7849 47.6621 -8.78496 9.37456 9.2844 47.6621 9.28451 69.6932 GPRESSAVG: 1711000 -50.2101 -9.76952 47.2285 -9.7194 8.28378 9.99696 47.0581 8.55257 70.3417 TIMING: 1711000 CPU: 4961.36, 0.00288898/step Wall: 4961.36, 0.00288898/step, 2.6394 hours remaining, 208.472656 MB of memory in use. ENERGY: 1711000 725.2822 2025.6249 1959.2314 111.1616 -205564.7305 17452.7568 0.0000 0.0000 34400.0537 -148890.6198 300.4242 -183290.6735 -148795.4194 299.8334 -105.5778 -71.2735 557925.9266 9.4665 9.4718 PRESSURE: 1711200 153.544 -128.182 110.356 -128.182 -15.6737 51.6732 110.357 51.6726 8.70571 GPRESSURE: 1711200 178.515 -116.208 103.136 -148.317 -43.0623 22.9365 177.084 33.1502 94.6924 PRESSAVG: 1711200 -22.2632 -38.2113 39.1777 -38.2112 70.6994 -49.933 39.1777 -49.9329 -7.04789 GPRESSAVG: 1711200 -22.5739 -38.8976 39.5173 -36.9889 71.4361 -48.1586 39.5513 -49.4172 -7.29988 TIMING: 1711200 CPU: 4961.93, 0.00286713/step Wall: 4961.93, 0.00286713/step, 2.61929 hours remaining, 208.472656 MB of memory in use. ENERGY: 1711200 753.7539 2011.6472 1971.3146 123.2992 -205895.8917 18001.5099 0.0000 0.0000 34409.5214 -148624.8456 300.5069 -183034.3670 -148530.4913 300.1737 48.8585 76.7151 559535.3550 13.7961 13.8541 PRESSURE: 1711400 -22.2297 -115.949 -267.796 -115.948 -116.858 31.402 -267.797 31.4034 -288.911 GPRESSURE: 1711400 -21.3721 -122.599 -180.294 -56.6442 -85.2595 53.3438 -196.58 84.6442 -238.42 PRESSAVG: 1711400 31.5265 27.111 -6.74677 27.1111 3.49953 -13.9537 -6.74679 -13.9537 -23.0498 GPRESSAVG: 1711400 30.3974 27.5641 -6.09237 26.1037 3.68273 -16.1265 -7.72759 -14.6788 -22.0875 TIMING: 1711400 CPU: 4962.51, 0.00288119/step Wall: 4962.51, 0.00288119/step, 2.63197 hours remaining, 208.472656 MB of memory in use. ENERGY: 1711400 765.6472 2053.1071 1974.8368 118.6612 -205596.7449 17624.7787 0.0000 0.0000 34281.3058 -148778.4081 299.3872 -183059.7139 -148691.0687 300.5363 -142.6662 -115.0171 560024.8137 3.9921 3.9976 PRESSURE: 1711600 -22.638 -99.4639 -55.1051 -99.4631 -71.5046 91.5005 -55.1051 91.5007 77.0064 GPRESSURE: 1711600 44.8811 -142.888 -52.6488 -149.191 -85.49 116.694 -40.2711 29.6321 111.329 PRESSAVG: 1711600 18.7647 -49.4395 4.48869 -49.4395 -11.1838 25.3774 4.48867 25.3775 26.7624 GPRESSAVG: 1711600 20.0381 -49.713 6.3346 -49.2129 -12.4252 26.2474 5.46378 26.9283 26.4457 TIMING: 1711600 CPU: 4963.09, 0.00291041/step Wall: 4963.09, 0.00291041/step, 2.6585 hours remaining, 208.472656 MB of memory in use. ENERGY: 1711600 772.0093 2048.8833 1971.4327 113.7552 -205726.3007 17622.1005 0.0000 0.0000 34322.5467 -148875.5730 299.7473 -183198.1197 -148773.5305 300.1727 -5.7121 23.5734 557314.8883 11.4478 11.3529 PRESSURE: 1711800 -84.4286 25.3964 -57.3001 25.3972 -50.5172 -82.1199 -57.3008 -82.1213 -235.713 GPRESSURE: 1711800 -61.8976 48.6309 -50.7306 16.6245 7.78881 -100.988 -71.2995 -149.383 -224.978 PRESSAVG: 1711800 6.63565 -25.9623 0.530845 -25.9622 -33.6225 2.85511 0.530806 2.85506 -11.9812 GPRESSAVG: 1711800 5.43947 -25.6791 -0.96862 -24.0487 -33.0987 2.39268 0.96012 0.496303 -11.1943 TIMING: 1711800 CPU: 4963.67, 0.00289799/step Wall: 4963.67, 0.00289799/step, 2.647 hours remaining, 208.472656 MB of memory in use. ENERGY: 1711800 784.6683 2066.7407 1942.1897 106.7536 -205587.2030 17540.3393 0.0000 0.0000 34371.9436 -148774.5679 300.1787 -183146.5115 -148683.2970 300.2354 -123.5531 -93.0288 558861.2617 -12.9894 -12.9512 PRESSURE: 1712000 -38.5996 63.67 -161.322 63.6692 25.0757 45.3641 -161.322 45.3656 -116.012 GPRESSURE: 1712000 -38.5844 -3.34446 -191.617 110.843 54.5274 16.063 -210.804 -23.0964 -50.4041 PRESSAVG: 1712000 -22.0467 -9.56835 -8.28615 -9.56838 9.86742 -14.5956 -8.28603 -14.5956 7.96617 GPRESSAVG: 1712000 -20.5534 -7.00524 -8.81286 -11.6618 8.65099 -14.8536 -8.78351 -11.8065 7.28484 TIMING: 1712000 CPU: 4964.25, 0.00290862/step Wall: 4964.25, 0.00290862/step, 2.65654 hours remaining, 208.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1712000 737.0622 2042.9241 1944.2676 112.5210 -205936.9819 17651.5993 0.0000 0.0000 34537.1029 -148911.5048 301.6211 -183448.6077 -148815.1591 300.6195 -43.1788 -11.4870 556654.4909 -1.4044 -1.5392 PRESSURE: 1712200 10.5287 -8.44915 174.863 -8.44779 -354.319 -66.6125 174.865 -66.6136 -84.9854 GPRESSURE: 1712200 37.3374 -52.3805 152.586 -61.3804 -303.19 -36.8708 128.268 -15.659 -69.01 PRESSAVG: 1712200 42.2162 -15.2551 28.3496 -15.255 -73.8539 24.1731 28.3496 24.1732 27.7531 GPRESSAVG: 1712200 41.3627 -17.1977 28.0645 -14.5471 -72.8883 25.0306 27.4836 22.9365 27.1464 TIMING: 1712200 CPU: 4964.83, 0.00288972/step Wall: 4964.83, 0.00288972/step, 2.63911 hours remaining, 208.472656 MB of memory in use. ENERGY: 1712200 748.9229 2110.9456 1959.2240 105.1845 -205266.3551 17412.4245 0.0000 0.0000 34232.4686 -148697.1851 298.9607 -182929.6537 -148607.5193 301.5043 -142.9252 -111.6208 560058.8440 -1.2949 -1.4597 LDB: ============= START OF LOAD BALANCING ============== 4968.22 LDB: ============== END OF LOAD BALANCING =============== 4968.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4968.22 LDB: ============= START OF LOAD BALANCING ============== 4968.51 LDB: Largest compute 4820 load 0.022789 is 19.3% of average load 0.117999 LDB: Average compute 0.001716 is 1.5% of average load 0.117999 LDB: TIME 4968.51 LOAD: AVG 0.117999 MAX 0.181839 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 4968.51 LOAD: AVG 0.117999 MAX 0.181839 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: TIME 4968.51 LOAD: AVG 0.117999 MAX 0.181839 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4968.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4968.51 PRESSURE: 1712400 -2.07156 -52.736 31.6806 -52.7349 81.4968 -50.6507 31.6801 -50.6504 139.364 GPRESSURE: 1712400 40.0624 -33.51 79.004 -50.434 128.385 -60.9565 -24.0693 -122.607 135.385 PRESSAVG: 1712400 -5.94084 -38.1712 4.37671 -38.1712 -56.5141 12.8627 4.37669 12.8627 72.4431 GPRESSAVG: 1712400 -6.90511 -38.541 6.61523 -35.8687 -57.0779 13.468 5.34939 10.1759 73.8876 TIMING: 1712400 CPU: 4965.42, 0.00294638/step Wall: 4965.42, 0.00294638/step, 2.6907 hours remaining, 209.460938 MB of memory in use. ENERGY: 1712400 762.6493 2074.6253 1945.1919 117.4612 -205941.7091 17795.5620 0.0000 0.0000 34322.0297 -148924.1898 299.7428 -183246.2195 -148820.2554 301.2035 72.9297 101.2775 557218.1605 3.3294 3.3015 PRESSURE: 1712600 92.0475 -97.376 -105.526 -97.375 88.4266 53.8271 -105.527 53.8269 -178.756 GPRESSURE: 1712600 84.5949 -159.106 -140.853 -32.1481 108.419 23.2913 -73.3184 50.7571 -92.0765 PRESSAVG: 1712600 17.2142 -13.0166 -4.61898 -13.0166 -64.8296 1.03756 -4.61894 1.03757 33.065 GPRESSAVG: 1712600 19.2729 -11.8454 -5.92812 -14.4603 -66.322 0.619294 -3.38383 3.46694 32.5583 TIMING: 1712600 CPU: 4966, 0.00288186/step Wall: 4966, 0.00288186/step, 2.63162 hours remaining, 209.460938 MB of memory in use. ENERGY: 1712600 709.1234 2098.1813 1948.6354 125.7715 -205622.3272 17737.2922 0.0000 0.0000 34228.9693 -148774.3540 298.9301 -183003.3233 -148686.3787 299.7113 0.5727 33.6459 558928.7876 -4.8501 -4.8303 PRESSURE: 1712800 184.182 -8.55528 -78.4601 -8.55599 180.711 136.545 -78.4603 136.547 -56.6964 GPRESSURE: 1712800 307.756 41.9244 -95.9319 -96.9139 185.305 172.812 -41.7844 93.6684 -90.8869 PRESSAVG: 1712800 -28.6817 -45.3054 -36.253 -45.3053 -60.7925 6.39151 -36.253 6.39153 56.051 GPRESSAVG: 1712800 -30.5579 -44.3075 -38.9659 -48.085 -59.2872 6.57285 -36.1264 4.11372 56.2804 TIMING: 1712800 CPU: 4966.57, 0.00288598/step Wall: 4966.57, 0.00288598/step, 2.63522 hours remaining, 209.460938 MB of memory in use. ENERGY: 1712800 722.2365 2079.7679 1969.0155 120.8925 -206020.8167 17878.0720 0.0000 0.0000 34474.9274 -148775.9049 301.0781 -183250.8323 -148674.0242 300.4147 102.7322 134.0580 556783.2426 -11.1411 -11.1882 PRESSURE: 1713000 -110.074 -136.053 9.08676 -136.052 178.398 -118.841 9.08619 -118.842 -37.0111 GPRESSURE: 1713000 -68.1584 -144.502 79.4953 -77.6783 188.139 -176.287 1.98516 -110.31 22.8272 PRESSAVG: 1713000 28.3971 3.17779 -34.6205 3.17778 18.5736 -6.97109 -34.6206 -6.97097 -23.0113 GPRESSAVG: 1713000 28.4533 2.04566 -32.6758 6.90917 19.4693 -8.73347 -37.3045 -5.20347 -23.2372 TIMING: 1713000 CPU: 4967.15, 0.00287358/step Wall: 4967.15, 0.00287358/step, 2.62374 hours remaining, 209.460938 MB of memory in use. ENERGY: 1713000 773.3053 2071.2800 1939.3552 100.6101 -205937.4302 17793.9480 0.0000 0.0000 34481.5412 -148777.3904 301.1359 -183258.9316 -148680.8942 300.5550 10.4376 47.6026 556316.9326 7.9865 8.2285 PRESSURE: 1713200 48.6076 77.8817 -4.84148 77.8807 -11.3264 83.735 -4.84264 83.7359 -98.3703 GPRESSURE: 1713200 69.6381 66.6058 35.3696 106.377 60.9496 22.4543 -59.9723 102.158 -92.5372 PRESSAVG: 1713200 47.14 -10.054 -39.3352 -10.0539 61.3601 51.1142 -39.3352 51.1142 -90.8604 GPRESSAVG: 1713200 48.6789 -10.036 -39.3329 -13.6763 62.1864 53.4285 -39.1867 48.4497 -92.6548 TIMING: 1713200 CPU: 4967.72, 0.00285401/step Wall: 4967.72, 0.00285401/step, 2.60571 hours remaining, 209.460938 MB of memory in use. ENERGY: 1713200 740.4279 2090.4486 1938.5208 110.7323 -206015.0795 17728.4538 0.0000 0.0000 34460.8160 -148945.6801 300.9549 -183406.4962 -148851.5059 300.7585 -20.3630 12.6835 556052.2336 5.8799 6.0702 PRESSURE: 1713400 -8.11627 74.5003 -113.859 74.5 -68.4928 42.861 -113.858 42.8616 49.71 GPRESSURE: 1713400 50.783 80.3992 -225.521 92.8696 4.52398 74.07 -71.8714 -62.3787 22.4536 PRESSAVG: 1713400 -25.3169 -3.69569 33.8118 -3.69576 76.8804 2.38329 33.8118 2.38337 -71.1188 GPRESSAVG: 1713400 -27.0673 -5.41126 35.5244 -2.13983 75.9166 0.592106 34.2117 3.31116 -68.6875 TIMING: 1713400 CPU: 4968.29, 0.00288006/step Wall: 4968.29, 0.00288006/step, 2.62933 hours remaining, 209.460938 MB of memory in use. ENERGY: 1713400 739.3827 2147.6078 1944.3033 113.2140 -206298.6955 17695.9888 0.0000 0.0000 34437.1336 -149221.0652 300.7481 -183658.1989 -149123.0010 299.8758 -8.9663 25.9202 557382.7775 -6.5185 -6.6127 PRESSURE: 1713600 -211.755 -1.61229 10.5164 -1.61215 -373.172 75.2629 10.5157 75.2599 -137.939 GPRESSURE: 1713600 -159.16 -8.51008 -53.2906 -16.7135 -361.457 166.89 5.19223 67.2148 -108.358 PRESSAVG: 1713600 -38.2636 4.78299 51.8008 4.78302 12.4459 10.4503 51.8008 10.4504 29.2152 GPRESSAVG: 1713600 -37.6223 5.36415 51.6601 6.49732 12.7238 11.7599 51.749 11.3852 28.3675 TIMING: 1713600 CPU: 4968.87, 0.00287919/step Wall: 4968.87, 0.00287919/step, 2.62838 hours remaining, 209.601562 MB of memory in use. ENERGY: 1713600 741.5521 2159.7999 1924.0159 100.0545 -205733.2109 17366.6524 0.0000 0.0000 34142.6691 -149298.4669 298.1764 -183441.1361 -149207.3129 299.7340 -240.9557 -209.6582 558098.5141 1.1325 1.1563 PRESSURE: 1713800 -123.508 -21.9456 44.1287 -21.9465 -181.526 3.6986 44.1291 3.69805 -286.824 GPRESSURE: 1713800 -27.3001 -64.1535 84.7211 -36.7196 -184.081 67.1555 113.64 20.9191 -269.512 PRESSAVG: 1713800 30.9 30.3653 34.4197 30.3653 -26.8192 17.3086 34.4196 17.3086 -22.17 GPRESSAVG: 1713800 31.0011 29.8989 34.4073 29.6769 -27.776 16.7279 34.3298 17.1585 -21.8368 TIMING: 1713800 CPU: 4969.45, 0.00288836/step Wall: 4969.45, 0.00288836/step, 2.63659 hours remaining, 209.601562 MB of memory in use. ENERGY: 1713800 736.5281 2114.1155 1958.3302 106.3752 -206182.9078 17542.5084 0.0000 0.0000 34276.3659 -149448.6844 299.3440 -183725.0503 -149353.1756 298.9668 -197.2860 -160.2980 558188.8875 -6.0297 -6.2039 PRESSURE: 1714000 -187.038 195.334 -42.7781 195.334 -240.537 -148.979 -42.7778 -148.98 -237.416 GPRESSURE: 1714000 -213.008 154.055 14.8983 240.546 -211.287 -215.079 -64.3638 -62.8035 -141.51 PRESSAVG: 1714000 15.931 4.3037 73.383 4.30369 -11.8489 3.28624 73.3831 3.28625 -16.486 GPRESSAVG: 1714000 15.3379 5.25419 72.3238 5.2177 -10.7548 3.05683 73.3398 4.3651 -17.4006 TIMING: 1714000 CPU: 4970.03, 0.00291408/step Wall: 4970.03, 0.00291408/step, 2.65991 hours remaining, 209.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1714000 729.5308 2094.9065 1925.9017 116.1076 -206264.8583 17516.0651 0.0000 0.0000 34526.1604 -149356.1862 301.5255 -183882.3466 -149251.5401 299.4054 -221.6640 -188.6015 557376.0782 -4.1346 -4.2725 PRESSURE: 1714200 -159.559 -32.6919 81.2472 -32.6909 -236.462 -82.7279 81.2474 -82.7276 196.321 GPRESSURE: 1714200 -84.3425 -50.9382 117.764 -94.7764 -254.443 -17.9023 40.3168 -168.827 235.688 PRESSAVG: 1714200 29.9905 -19.2546 19.3302 -19.2545 -17.5245 9.77416 19.3302 9.77417 16.1019 GPRESSAVG: 1714200 30.9348 -19.3504 20.1033 -19.9483 -18.0504 10.33 21.1515 9.27589 16.0065 TIMING: 1714200 CPU: 4970.61, 0.00288802/step Wall: 4970.61, 0.00288802/step, 2.63596 hours remaining, 209.601562 MB of memory in use. ENERGY: 1714200 757.9334 2070.7796 1932.7855 102.8874 -205821.5291 17496.2945 0.0000 0.0000 34100.7224 -149360.1264 297.8101 -183460.8488 -149257.3285 299.1149 -66.5670 -34.3659 556495.3866 9.5227 9.6303 PRESSURE: 1714400 -120.471 118.519 57.49 118.519 -106.828 -60.5816 57.4893 -60.5838 -137.259 GPRESSURE: 1714400 -71.1018 93.631 0.675629 168.077 -34.3206 -177.976 38.1256 -7.26468 -176.806 PRESSAVG: 1714400 7.25754 -45.8146 11.7479 -45.8146 34.7606 -11.1346 11.7481 -11.1346 18.9754 GPRESSAVG: 1714400 7.23375 -44.8672 10.6627 -46.5753 34.1592 -10.7036 11.0889 -10.1102 18.6554 TIMING: 1714400 CPU: 4971.19, 0.00288995/step Wall: 4971.19, 0.00288995/step, 2.63756 hours remaining, 209.601562 MB of memory in use. ENERGY: 1714400 741.7622 2143.5599 1955.3964 108.2009 -206317.0588 17629.2723 0.0000 0.0000 34259.4866 -149479.3805 299.1966 -183738.8672 -149377.3994 298.8061 -121.5196 -94.0762 557603.5412 20.3312 20.0161 PRESSURE: 1714600 -165.487 -57.5187 -76.3055 -57.5173 -131.455 -17.4216 -76.3045 -17.4222 88.6545 GPRESSURE: 1714600 -168.535 -40.1059 -118.637 9.71777 -87.8354 28.8925 -4.93381 -65.6024 140.623 PRESSAVG: 1714600 -75.8415 -53.9981 -1.11822 -53.9981 24.2443 28.2843 -1.11812 28.2844 48.0797 GPRESSAVG: 1714600 -76.1072 -53.4333 -1.17755 -54.2943 24.2807 26.9211 -1.81527 27.5617 48.3867 TIMING: 1714600 CPU: 4971.76, 0.00289088/step Wall: 4971.76, 0.00289088/step, 2.63825 hours remaining, 209.601562 MB of memory in use. ENERGY: 1714600 722.1854 2083.9900 1939.3618 116.1499 -206269.7600 17774.0989 0.0000 0.0000 34087.5273 -149546.4467 297.6949 -183633.9740 -149454.3605 298.2718 -69.4293 -38.5826 557011.4737 -1.1725 -1.1466 PRESSURE: 1714800 106.643 -15.266 -18.285 -15.266 -272.426 94.7834 -18.2867 94.7833 -13.9505 GPRESSURE: 1714800 144.284 -118.132 -27.2402 24.8649 -211.278 56.5447 4.16361 101.808 5.3892 PRESSAVG: 1714800 -57.6231 8.27513 -37.6029 8.27517 -4.47569 16.8429 -37.6029 16.8429 38.9258 GPRESSAVG: 1714800 -57.7096 6.30081 -36.9929 8.71569 -4.03466 18.1516 -37.5763 16.166 38.5595 TIMING: 1714800 CPU: 4972.34, 0.00287769/step Wall: 4972.34, 0.00287769/step, 2.62605 hours remaining, 209.601562 MB of memory in use. ENERGY: 1714800 745.2067 2077.7001 1952.0257 110.9399 -206051.5363 17715.6873 0.0000 0.0000 34110.3988 -149339.5777 297.8946 -183449.9765 -149245.2038 298.1431 -59.9111 -20.5346 557960.5924 -7.7244 -7.7282 PRESSURE: 1715000 -185.834 -123.889 -13.8882 -123.89 -1.62589 -82.9268 -13.8883 -82.9264 -158.247 GPRESSURE: 1715000 -145.621 -97.3781 -65.2809 -73.7055 -27.9621 -118.878 33.2447 -55.6921 -61.5687 PRESSAVG: 1715000 39.979 17.8704 -35.7801 17.8705 -32.3875 15.3357 -35.78 15.3357 44.6699 GPRESSAVG: 1715000 39.2882 19.4337 -34.9495 17.4646 -33.3412 14.3909 -35.6116 16.7737 45.7805 TIMING: 1715000 CPU: 4972.91, 0.00285666/step Wall: 4972.91, 0.00285666/step, 2.6067 hours remaining, 209.601562 MB of memory in use. ENERGY: 1715000 733.4131 2094.7674 1950.0115 114.9877 -206350.8017 17815.9809 0.0000 0.0000 34206.5450 -149435.0961 298.7343 -183641.6411 -149337.6436 298.7479 -115.2357 -78.3841 558225.0741 17.4205 17.2425 PRESSURE: 1715200 -197.041 -84.1125 171.967 -84.1126 15.4898 -9.07496 171.967 -9.07575 108.093 GPRESSURE: 1715200 -126.274 -75.2376 178.075 -36.6567 23.1631 -12.5321 99.2735 -8.90891 122.331 PRESSAVG: 1715200 -19.2683 -8.98988 56.3631 -8.98983 -17.8018 2.32629 56.3631 2.32634 45.3234 GPRESSAVG: 1715200 -17.7221 -9.89895 55.437 -8.40167 -17.8452 2.20808 57.2981 1.36566 44.421 TIMING: 1715200 CPU: 4973.49, 0.00288237/step Wall: 4973.49, 0.00288237/step, 2.63 hours remaining, 209.601562 MB of memory in use. ENERGY: 1715200 746.0393 2104.2234 1959.6588 107.0048 -206449.7785 17770.0001 0.0000 0.0000 34305.7559 -149457.0962 299.6007 -183762.8521 -149365.5502 298.4970 -24.4861 6.4067 557779.0822 2.7511 2.9512 PRESSURE: 1715400 55.673 40.2624 -116.307 40.263 51.1037 -112.359 -116.307 -112.361 23.0586 GPRESSURE: 1715400 92.1862 45.1094 -141.093 45.7858 49.5317 -88.91 -139.889 -66.1204 85.5273 PRESSAVG: 1715400 -34.3006 -13.834 -45.5807 -13.834 -7.27234 -19.078 -45.5807 -19.078 8.68151 GPRESSAVG: 1715400 -35.7303 -14.902 -47.9492 -15.2593 -6.25972 -19.2716 -47.274 -18.5574 9.59038 TIMING: 1715400 CPU: 4974.06, 0.00287429/step Wall: 4974.06, 0.00287429/step, 2.62247 hours remaining, 209.601562 MB of memory in use. ENERGY: 1715400 727.3004 2062.8848 1936.2241 106.7196 -206639.5614 17984.7489 0.0000 0.0000 34188.3693 -149633.3143 298.5755 -183821.6836 -149534.9667 298.3877 43.2784 75.7484 557532.6175 -10.9638 -10.7999 PRESSURE: 1715600 -148.917 24.9448 6.52656 24.9449 -259.921 -7.95377 6.52593 -7.95486 -217.681 GPRESSURE: 1715600 -94.7915 69.5694 47.2268 -5.4654 -193.007 -85.7979 -47.9842 -41.519 -239.998 PRESSAVG: 1715600 -41.4766 26.8619 5.65755 26.862 -11.399 -4.72861 5.65753 -4.72867 12.2705 GPRESSAVG: 1715600 -41.6282 27.3427 7.91649 27.575 -11.6864 -5.28328 5.29939 -4.35338 13.236 TIMING: 1715600 CPU: 4974.64, 0.00287129/step Wall: 4974.64, 0.00287129/step, 2.61957 hours remaining, 209.601562 MB of memory in use. ENERGY: 1715600 785.9151 2089.7077 1922.8488 112.7255 -206094.2003 17582.4767 0.0000 0.0000 33843.7537 -149756.7729 295.5659 -183600.5265 -149662.0233 297.9365 -208.8397 -175.9322 558460.7062 -13.5351 -13.3595 PRESSURE: 1715800 -206.228 -53.592 -65.8663 -53.5927 -91.6188 -5.595 -65.8654 -5.59654 -303.343 GPRESSURE: 1715800 -183.96 -69.5221 -121.644 37.328 -33.7629 0.598314 -86.0812 59.2419 -304.078 PRESSAVG: 1715800 72.7688 -7.67968 -73.8359 -7.67973 -23.1429 -44.2668 -73.836 -44.2668 -53.1134 GPRESSAVG: 1715800 73.0116 -8.00026 -75.2003 -8.47888 -23.0587 -44.7131 -71.6045 -42.9451 -53.6049 TIMING: 1715800 CPU: 4975.21, 0.00286639/step Wall: 4975.21, 0.00286639/step, 2.61495 hours remaining, 209.601562 MB of memory in use. ENERGY: 1715800 741.4742 2063.3401 1962.8774 117.9185 -206526.7106 17835.1189 0.0000 0.0000 34140.0030 -149665.9785 298.1531 -183805.9814 -149567.2684 297.2199 -200.3966 -173.9336 558227.7730 -1.1625 -1.2173 PRESSURE: 1716000 -20.3966 9.79122 100.775 9.79089 -103.76 8.45805 100.775 8.45939 105.469 GPRESSURE: 1716000 -0.0406466 -5.93518 89.36 18.4308 9.92459 4.7096 173.905 47.0912 70.4334 PRESSAVG: 1716000 14.0152 -31.7974 -44.3915 -31.7974 -30.7108 -28.1463 -44.3915 -28.1463 22.7741 GPRESSAVG: 1716000 14.3615 -32.5673 -43.4866 -29.6237 -30.0617 -25.9619 -45.0373 -31.6512 21.9085 TIMING: 1716000 CPU: 4975.78, 0.00287074/step Wall: 4975.78, 0.00287074/step, 2.61876 hours remaining, 209.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1716000 749.3093 2066.2031 1958.5612 119.9814 -206787.8630 18062.6326 0.0000 0.0000 34165.2840 -149665.8914 298.3739 -183831.1754 -149581.7045 298.5464 -6.2290 26.7725 558103.8579 2.0262 2.0694 PRESSURE: 1716200 54.2618 -94.6535 -66.3646 -94.6534 -264.5 -41.3669 -66.3656 -41.3661 -200.633 GPRESSURE: 1716200 25.292 -66.769 -38.2655 -6.50801 -189.428 3.22221 -27.2446 -116.267 -147.2 PRESSAVG: 1716200 -21.0932 -37.6945 -30.2744 -37.6946 -33.095 -23.4975 -30.2745 -23.4976 24.0217 GPRESSAVG: 1716200 -20.3146 -37.549 -29.831 -39.4156 -33.1357 -25.9805 -31.0617 -21.1081 23.3647 TIMING: 1716200 CPU: 4976.36, 0.00289037/step Wall: 4976.36, 0.00289037/step, 2.6365 hours remaining, 209.601562 MB of memory in use. ENERGY: 1716200 790.5435 2117.9565 1976.8626 116.8227 -206706.2197 17995.4435 0.0000 0.0000 34054.8527 -149653.7380 297.4095 -183708.5908 -149562.1730 297.6591 -136.9570 -103.7787 558763.4061 -10.0555 -10.0285 LDB: ============= START OF LOAD BALANCING ============== 4979.75 LDB: ============== END OF LOAD BALANCING =============== 4979.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4979.75 LDB: ============= START OF LOAD BALANCING ============== 4980.04 LDB: Largest compute 4820 load 0.024868 is 21.1% of average load 0.117911 LDB: Average compute 0.001719 is 1.5% of average load 0.117911 LDB: TIME 4980.04 LOAD: AVG 0.117911 MAX 0.180055 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.922 MB LDB: TIME 4980.04 LOAD: AVG 0.117911 MAX 0.180055 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.992 MB LDB: TIME 4980.04 LOAD: AVG 0.117911 MAX 0.180055 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.992 MB LDB: ============== END OF LOAD BALANCING =============== 4980.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4980.05 PRESSURE: 1716400 -190.438 125.447 -6.76455 125.447 129.539 128.194 -6.76377 128.193 -200.515 GPRESSURE: 1716400 -166.17 71.0912 13.3482 191.288 146.578 108.15 -5.20752 130.007 -147.43 PRESSAVG: 1716400 -3.98292 13.9582 31.1176 13.9581 51.3037 -43.0175 31.1175 -43.0174 -44.2807 GPRESSAVG: 1716400 -5.13255 14.2924 31.1563 16.0852 52.2541 -44.3144 31.4144 -41.8369 -43.5149 TIMING: 1716400 CPU: 4976.95, 0.00294358/step Wall: 4976.95, 0.00294358/step, 2.68487 hours remaining, 209.757812 MB of memory in use. ENERGY: 1716400 764.1192 2082.4618 1925.8920 119.6492 -205940.8097 17659.6988 0.0000 0.0000 33969.5913 -149419.3973 296.6649 -183388.9887 -149328.0020 298.3911 -87.1377 -55.6739 557299.0327 1.0134 1.2022 PRESSURE: 1716600 -379.784 106.651 62.9929 106.651 -202.404 142.057 62.9925 142.059 125.177 GPRESSURE: 1716600 -333.804 148.272 69.6378 90.9247 -147.273 27.7679 64.2378 190.315 134.455 PRESSAVG: 1716600 19.6359 -15.0448 43.9902 -15.0449 -5.58594 -40.1416 43.9903 -40.1415 37.6604 GPRESSAVG: 1716600 19.425 -14.3354 44.4564 -17.4296 -6.44656 -40.1468 41.8571 -40.7257 38.8871 TIMING: 1716600 CPU: 4977.53, 0.00289279/step Wall: 4977.53, 0.00289279/step, 2.63839 hours remaining, 210.218750 MB of memory in use. ENERGY: 1716600 774.8466 2101.5678 1964.8450 104.5190 -205990.5906 17639.4303 0.0000 0.0000 34035.4525 -149369.9294 297.2401 -183405.3819 -149272.9779 299.4732 -152.3371 -115.5403 558443.0349 17.2368 17.2885 PRESSURE: 1716800 -66.5417 7.59744 27.1677 7.59634 69.2176 -57.7744 27.1675 -57.7738 -190.653 GPRESSURE: 1716800 -51.6445 94.2598 -1.45487 -116.582 137.045 -52.6402 44.8755 -47.1654 -173.481 PRESSAVG: 1716800 -28.2005 32.2234 53.6762 32.2234 -1.06376 6.67084 53.6762 6.67091 3.5671 GPRESSAVG: 1716800 -27.0367 31.0697 51.5517 32.3501 -1.05067 7.37363 56.4101 6.82497 2.35746 TIMING: 1716800 CPU: 4978.11, 0.00289555/step Wall: 4978.11, 0.00289555/step, 2.64074 hours remaining, 210.218750 MB of memory in use. ENERGY: 1716800 773.0696 2050.6040 1944.3532 119.9487 -206241.9341 17665.9378 0.0000 0.0000 34357.2488 -149330.7720 300.0504 -183688.0208 -149242.0719 298.7080 -62.6591 -29.3601 558034.6895 -8.5657 -8.5766 PRESSURE: 1717000 304.836 116.19 -62.0521 116.188 302.345 -31.834 -62.0525 -31.8323 306.945 GPRESSURE: 1717000 329.731 131.273 -10.0689 85.7158 306.398 -44.933 -145.187 -57.791 381.643 PRESSAVG: 1717000 11.4024 58.6449 -39.3129 58.6449 3.99769 -21.3894 -39.313 -21.3894 -22.0428 GPRESSAVG: 1717000 10.5976 58.9771 -38.3817 59.5852 3.7068 -19.9343 -38.722 -21.5796 -21.2192 TIMING: 1717000 CPU: 4978.68, 0.00287606/step Wall: 4978.68, 0.00287606/step, 2.62281 hours remaining, 210.218750 MB of memory in use. ENERGY: 1717000 772.1118 2069.4132 1946.8575 132.3753 -207061.8138 18540.8897 0.0000 0.0000 34194.0984 -149406.0679 298.6256 -183600.1663 -149309.3786 299.5151 304.7087 339.2575 557237.1582 -2.2142 -2.3050 PRESSURE: 1717200 161.685 -13.8442 -66.0908 -13.8432 -127.146 149.929 -66.0893 149.928 105.818 GPRESSURE: 1717200 142.855 57.6636 -91.3955 84.299 -58.7969 123.706 0.662613 153.855 141.261 PRESSAVG: 1717200 -70.5532 -24.7276 -20.0917 -24.7276 73.6372 5.91186 -20.0917 5.91191 -18.7505 GPRESSAVG: 1717200 -70.2184 -24.3676 -21.5831 -25.3983 73.9681 3.86057 -20.1641 6.24636 -20.073 TIMING: 1717200 CPU: 4979.26, 0.00289475/step Wall: 4979.26, 0.00289475/step, 2.63969 hours remaining, 210.218750 MB of memory in use. ENERGY: 1717200 765.4553 2111.4265 1953.7483 118.0888 -206270.9035 17800.2089 0.0000 0.0000 34166.0208 -149355.9549 298.3804 -183521.9757 -149266.1527 298.7417 46.7856 75.1062 556084.9485 -5.2221 -5.4411 PRESSURE: 1717400 -76.257 -68.1915 -88.9072 -68.1922 50.6887 -37.67 -88.9074 -37.6684 0.662565 GPRESSURE: 1717400 -13.301 -157.228 -80.8487 -174.547 65.2375 -22.8187 -88.7182 -37.1398 18.8655 PRESSAVG: 1717400 26.7809 -0.495736 34.2014 -0.495676 -3.25719 22.1563 34.2014 22.1562 -6.04283 GPRESSAVG: 1717400 28.3095 -0.567096 34.6069 1.55215 -3.29237 23.3526 33.4143 23.5223 -7.20836 TIMING: 1717400 CPU: 4979.84, 0.00290868/step Wall: 4979.84, 0.00290868/step, 2.65223 hours remaining, 210.218750 MB of memory in use. ENERGY: 1717400 741.4337 2091.0121 1955.1118 127.6087 -206304.1315 17739.7968 0.0000 0.0000 34144.1696 -149504.9988 298.1895 -183649.1684 -149410.8999 299.1632 -8.3019 23.6006 557177.3401 5.8270 5.9362 PRESSURE: 1717600 -14.9843 216.334 -74.6122 216.335 139.777 68.174 -74.6134 68.1757 -47.4112 GPRESSURE: 1717600 20.0754 189.737 -126.595 309.45 108.232 -55.2046 -21.577 69.6318 30.7658 PRESSAVG: 1717600 -0.149042 52.7269 -29.2917 52.727 -12.5871 46.9552 -29.2916 46.9553 58.3791 GPRESSAVG: 1717600 -1.21097 54.4154 -27.2079 50.4672 -13.9147 45.8789 -30.5598 46.6612 60.5575 TIMING: 1717600 CPU: 4980.43, 0.00290892/step Wall: 4980.43, 0.00290892/step, 2.65229 hours remaining, 210.218750 MB of memory in use. ENERGY: 1717600 770.6384 2062.0727 1986.1750 110.2969 -206684.9801 17975.7497 0.0000 0.0000 34101.4478 -149678.5997 297.8164 -183780.0474 -149579.3725 298.1331 25.7937 53.0244 557117.8440 15.2143 15.1439 PRESSURE: 1717800 -279.216 53.5897 -211.92 53.5894 -178.48 -18.5935 -211.919 -18.5929 -288.766 GPRESSURE: 1717800 -261.833 41.1786 -207.198 66.4566 -140.661 14.7495 -212.652 -16.589 -238.9 PRESSAVG: 1717800 -30.2741 24.1643 -29.8742 24.1643 67.8001 -10.5098 -29.8742 -10.5098 -48.5919 GPRESSAVG: 1717800 -30.9258 22.8238 -30.4191 25.85 69.2694 -8.62473 -27.2154 -12.5682 -49.5204 TIMING: 1717800 CPU: 4981.01, 0.00290943/step Wall: 4981.01, 0.00290943/step, 2.65259 hours remaining, 210.218750 MB of memory in use. ENERGY: 1717800 762.6056 2048.2624 1961.0855 108.1353 -206319.8752 17538.8000 0.0000 0.0000 34182.3935 -149718.5929 298.5233 -183900.9864 -149621.5826 298.2225 -248.8207 -213.7980 556542.7943 -3.6886 -3.7256 PRESSURE: 1718000 35.4578 81.687 4.36031 81.687 108.055 -90.5183 4.36057 -90.5183 -120.083 GPRESSURE: 1718000 82.6871 71.2709 70.8186 62.8611 153.665 -70.9691 -31.966 -104.189 -101.711 PRESSAVG: 1718000 -22.2597 36.572 -58.9149 36.572 34.9206 25.9539 -58.9149 25.9539 8.01039 GPRESSAVG: 1718000 -20.938 37.0755 -58.6333 34.9534 33.7431 24.3055 -60.3513 27.1909 8.1679 TIMING: 1718000 CPU: 4981.58, 0.0028658/step Wall: 4981.58, 0.0028658/step, 2.61266 hours remaining, 210.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1718000 731.4704 2087.2451 1959.8131 126.2757 -206672.8803 17963.4435 0.0000 0.0000 34164.4899 -149640.1427 298.3670 -183804.6326 -149550.5772 298.1228 7.8099 44.8804 556708.2176 6.8904 6.9910 PRESSURE: 1718200 -172.809 179.378 2.51549 179.38 -134.409 18.1382 2.51454 18.1385 -19.1511 GPRESSURE: 1718200 -175.5 140.307 -70.7197 130.131 -99.7365 -65.4134 70.863 -61.3568 41.434 PRESSAVG: 1718200 -100.799 0.792162 7.58799 0.792162 48.9959 30.9556 7.58791 30.9557 27.2559 GPRESSAVG: 1718200 -101.878 -0.812707 8.49786 3.03105 48.1464 32.3531 6.6761 30.3273 28.8697 TIMING: 1718200 CPU: 4982.16, 0.00288284/step Wall: 4982.16, 0.00288284/step, 2.62803 hours remaining, 210.218750 MB of memory in use. ENERGY: 1718200 711.4633 2107.2341 1978.1237 114.5512 -206554.9840 17696.6308 0.0000 0.0000 34305.6897 -149641.2912 299.6001 -183946.9809 -149542.7354 298.6730 -108.7895 -77.9342 556122.0171 -8.1825 -8.2874 PRESSURE: 1718400 -146.952 50.4101 -4.9908 50.4084 -512.786 44.214 -4.99147 44.2129 97.573 GPRESSURE: 1718400 -115.781 79.4515 30.5382 -64.478 -478.584 -11.5737 -0.298603 45.8215 130.932 PRESSAVG: 1718400 -15.342 -4.46886 41.3569 -4.46885 -71.5047 5.33354 41.3569 5.33348 35.9396 GPRESSAVG: 1718400 -14.5488 -2.77227 39.6666 -4.94093 -70.9406 4.48915 43.5244 5.68193 34.6303 TIMING: 1718400 CPU: 4982.73, 0.00286839/step Wall: 4982.73, 0.00286839/step, 2.6147 hours remaining, 210.218750 MB of memory in use. ENERGY: 1718400 749.1843 2103.0274 1960.1392 107.6985 -206136.0583 17514.7342 0.0000 0.0000 34086.5325 -149614.7423 297.6862 -183701.2748 -149516.6983 297.8370 -187.3882 -154.4779 555998.5606 -16.9691 -16.9530 PRESSURE: 1718600 -177.2 -153.677 9.07792 -153.677 118.282 22.9853 9.07817 22.9841 -162.679 GPRESSURE: 1718600 -206.286 -135.96 -73.2922 -168.609 143.755 68.3357 67.2421 71.145 -70.7113 PRESSAVG: 1718600 -4.21524 -50.5627 -8.16932 -50.5627 11.7896 -38.5079 -8.16926 -38.5079 33.4012 GPRESSAVG: 1718600 -4.34311 -51.9656 -7.47228 -51.2152 11.6833 -38.0769 -9.79118 -37.9198 33.6878 TIMING: 1718600 CPU: 4983.31, 0.00288682/step Wall: 4983.31, 0.00288682/step, 2.63134 hours remaining, 210.218750 MB of memory in use. ENERGY: 1718600 735.9548 2124.2922 1960.2015 101.3531 -206376.2385 17817.4689 0.0000 0.0000 34140.6132 -149496.3547 298.1585 -183636.9680 -149401.7782 298.8407 -73.8658 -44.4143 557144.1467 13.6585 13.6760 PRESSURE: 1718800 -46.7822 -50.4457 -6.94978 -50.4449 6.94015 -11.0079 -6.94864 -11.0068 -214.977 GPRESSURE: 1718800 24.9166 -35.8443 -18.6865 -97.7257 30.2538 9.46368 -57.2927 -53.8527 -197.168 PRESSAVG: 1718800 -42.5534 -24.64 -21.4297 -24.64 2.67368 -28.8803 -21.4298 -28.8804 16.7537 GPRESSAVG: 1718800 -42.3077 -22.6246 -22.1859 -25.1512 4.57734 -28.8359 -19.8514 -30.255 15.2697 TIMING: 1718800 CPU: 4983.89, 0.00289889/step Wall: 4983.89, 0.00289889/step, 2.64218 hours remaining, 210.218750 MB of memory in use. ENERGY: 1718800 732.6296 2132.1258 1924.3465 116.6918 -206469.4686 17753.3574 0.0000 0.0000 34308.6925 -149501.6250 299.6263 -183810.3175 -149406.1347 298.4376 -84.9397 -47.3325 556348.7042 -7.7087 -7.4869 PRESSURE: 1719000 -169.35 -88.9056 33.8636 -88.9066 -456.913 100.03 33.8635 100.029 5.91256 GPRESSURE: 1719000 -146.613 -45.7924 74.5622 -93.4865 -410.492 70.6701 46.1087 125.274 44.0698 PRESSAVG: 1719000 50.838 -51.5923 8.73375 -51.5923 -16.9435 -1.62248 8.73384 -1.62247 -7.93372 GPRESSAVG: 1719000 50.6399 -51.6297 6.50116 -51.5064 -18.0945 -2.80831 10.4724 0.916694 -6.88536 TIMING: 1719000 CPU: 4984.47, 0.00289777/step Wall: 4984.47, 0.00289777/step, 2.64099 hours remaining, 210.218750 MB of memory in use. ENERGY: 1719000 761.4689 2045.3989 1945.7719 111.1373 -206655.3084 17748.4820 0.0000 0.0000 34346.5361 -149696.5133 299.9568 -184043.0494 -149596.4807 298.7574 -206.7835 -171.0116 555926.7763 8.6536 8.5533 PRESSURE: 1719200 236.509 -12.9722 -38.7147 -12.9714 62.7057 83.6247 -38.7153 83.6246 199.698 GPRESSURE: 1719200 187.183 38.0805 -96.6949 -14.1907 123.25 176.735 27.934 34.7787 271.022 PRESSAVG: 1719200 -23.6396 -5.92498 -15.1734 -5.92493 -89.3337 41.7701 -15.1734 41.7702 64.327 GPRESSAVG: 1719200 -22.7165 -6.58036 -11.7938 -4.20764 -88.4474 42.6681 -18.7929 38.3105 62.26 TIMING: 1719200 CPU: 4985.05, 0.00289059/step Wall: 4985.05, 0.00289059/step, 2.63429 hours remaining, 210.218750 MB of memory in use. ENERGY: 1719200 734.5571 2089.2040 1970.2945 118.3749 -206921.8264 18086.4663 0.0000 0.0000 34277.6968 -149645.2327 299.3557 -183922.9295 -149553.0082 298.6817 166.3041 193.8186 555561.7278 -16.2154 -16.3013 PRESSURE: 1719400 281.553 -2.56025 24.8882 -2.56027 209.076 -208.391 24.8879 -208.391 241.586 GPRESSURE: 1719400 334.529 103.408 7.08909 -31.9544 266.068 -215.99 57.837 -210.768 215.797 PRESSAVG: 1719400 75.7232 -12.9851 -18.4019 -12.985 -8.19413 -29.8399 -18.4019 -29.84 -29.7273 GPRESSAVG: 1719400 75.7837 -12.876 -18.8671 -15.2831 -10.0027 -29.7277 -15.9129 -26.1686 -28.9262 TIMING: 1719400 CPU: 4985.62, 0.00287505/step Wall: 4985.62, 0.00287505/step, 2.61997 hours remaining, 210.218750 MB of memory in use. ENERGY: 1719400 769.0792 2137.7601 1952.4685 129.7922 -207271.9822 18310.7914 0.0000 0.0000 34393.5811 -149578.5098 300.3677 -183972.0909 -149484.5857 299.2149 244.0715 272.1316 554713.4364 12.6006 12.2849 PRESSURE: 1719600 -211.221 31.5514 -79.1405 31.5519 -142.847 41.2742 -79.1412 41.2742 -96.3423 GPRESSURE: 1719600 -126.543 55.1792 -87.8124 21.1094 -73.737 47.5569 -37.6889 -36.6344 -152.534 PRESSAVG: 1719600 -21.5704 -20.5329 1.78855 -20.5329 12.1668 7.09544 1.78857 7.09534 4.26899 GPRESSAVG: 1719600 -22.7354 -21.5116 2.73537 -19.7536 12.3309 6.75271 -0.0332212 6.13365 5.25971 TIMING: 1719600 CPU: 4986.2, 0.0028863/step Wall: 4986.2, 0.0028863/step, 2.63006 hours remaining, 210.218750 MB of memory in use. ENERGY: 1719600 746.3707 2071.3573 1936.0855 106.5536 -206456.3792 17791.4125 0.0000 0.0000 34126.4075 -149678.1920 298.0344 -183804.5995 -149566.4045 298.4937 -150.1366 -117.6046 557937.1942 -1.7115 -1.7149 PRESSURE: 1719800 -85.066 149.448 -45.856 149.449 -393.388 22.5435 -45.8546 22.5419 -113.051 GPRESSURE: 1719800 -15.2656 98.6911 -146.496 111.458 -340.767 -53.9897 -16.5411 54.6561 -136.136 PRESSAVG: 1719800 13.2831 7.24611 -21.1807 7.24627 -56.2936 26.3061 -21.1807 26.3059 43.3363 GPRESSAVG: 1719800 13.0928 7.10089 -21.4196 8.83983 -55.1909 26.7132 -19.9699 25.7632 42.3639 TIMING: 1719800 CPU: 4986.78, 0.00288152/step Wall: 4986.78, 0.00288152/step, 2.62555 hours remaining, 210.218750 MB of memory in use. ENERGY: 1719800 774.8808 2035.7185 1973.8668 106.1303 -206231.3474 17673.6145 0.0000 0.0000 34249.0210 -149418.1156 299.1052 -183667.1366 -149319.0476 298.2458 -197.1683 -164.0562 558812.9033 0.1086 0.0886 PRESSURE: 1720000 184.921 -29.2462 -139.842 -29.2463 32.975 42.9295 -139.84 42.9301 96.0462 GPRESSURE: 1720000 175.256 -143.873 -195.509 -13.6856 46.3681 14.8895 -56.6527 62.5618 199.457 PRESSAVG: 1720000 -8.27182 46.4896 13.8483 46.4896 -15.2008 3.42504 13.8483 3.42511 22.6372 GPRESSAVG: 1720000 -6.8941 45.5692 15.4926 47.2037 -16.0081 2.53786 12.5179 2.82132 22.1136 TIMING: 1720000 CPU: 4987.35, 0.00287662/step Wall: 4987.35, 0.00287662/step, 2.62092 hours remaining, 210.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1720000 739.6725 2019.0581 1954.6106 116.7148 -206501.2460 17964.4722 0.0000 0.0000 34341.0619 -149365.6560 299.9090 -183706.7178 -149268.6461 298.2912 104.6475 140.3601 556433.3614 -0.2785 -0.2629 PRESSURE: 1720200 66.2911 -95.4074 -10.7378 -95.4051 -42.7348 -141.685 -10.7376 -141.685 118.417 GPRESSURE: 1720200 33.1063 -52.8746 -53.0952 -142.123 50.1897 -195.397 39.9467 -139.363 163.267 PRESSAVG: 1720200 4.03766 25.837 -44.1047 25.8371 -10.7082 -40.7772 -44.1046 -40.7771 10.5964 GPRESSAVG: 1720200 2.4686 27.9152 -45.9651 21.2242 -9.61853 -39.6734 -41.8152 -40.9773 11.1115 TIMING: 1720200 CPU: 4987.92, 0.00286968/step Wall: 4987.92, 0.00286968/step, 2.61444 hours remaining, 210.250000 MB of memory in use. ENERGY: 1720200 750.3009 2086.8673 1952.2879 109.3773 -206376.6019 17930.7658 0.0000 0.0000 34200.1567 -149346.8460 298.6785 -183547.0027 -149267.2729 298.7973 47.3242 82.1875 557398.7649 1.3086 1.3205 LDB: ============= START OF LOAD BALANCING ============== 4991.31 LDB: ============== END OF LOAD BALANCING =============== 4991.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4991.31 LDB: ============= START OF LOAD BALANCING ============== 4991.6 LDB: Largest compute 4820 load 0.024796 is 21.0% of average load 0.117966 LDB: Average compute 0.001727 is 1.5% of average load 0.117966 LDB: TIME 4991.6 LOAD: AVG 0.117966 MAX 0.181184 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.465 MB LDB: TIME 4991.6 LOAD: AVG 0.117966 MAX 0.181184 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.668 MB LDB: TIME 4991.6 LOAD: AVG 0.117966 MAX 0.181184 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4991.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4991.61 PRESSURE: 1720400 -13.5729 127.084 -10.2909 127.084 -142.271 -162.175 -10.2925 -162.175 66.3593 GPRESSURE: 1720400 40.7087 111.716 29.5597 148.166 -139.569 -225.136 -57.3185 -77.538 98.4566 PRESSAVG: 1720400 -2.92537 -19.895 34.5304 -19.895 -38.2416 -1.65249 34.5304 -1.65241 -4.13229 GPRESSAVG: 1720400 -2.68399 -21.257 35.5158 -16.2402 -38.3592 -3.97049 34.9363 -1.57008 -4.18723 TIMING: 1720400 CPU: 4988.51, 0.00294032/step Wall: 4988.51, 0.00294032/step, 2.67863 hours remaining, 208.101562 MB of memory in use. ENERGY: 1720400 721.7466 2083.2397 1943.3704 113.4730 -206396.0205 17922.6621 0.0000 0.0000 34062.5220 -149549.0067 297.4765 -183611.5287 -149455.8843 298.4278 -29.8283 -0.1344 557966.0696 -15.0998 -15.0768 PRESSURE: 1720600 14.7394 249.023 -74.4244 249.022 10.0466 73.3437 -74.4213 73.3411 -45.9047 GPRESSURE: 1720600 45.2903 256.054 -23.2759 174.058 79.0683 -5.18791 -127.548 161.055 -42.5678 PRESSAVG: 1720600 -13.9718 27.2822 -61.5321 27.2822 -40.5902 -22.9317 -61.532 -22.9317 -9.44105 GPRESSAVG: 1720600 -12.4677 28.6488 -61.9919 25.977 -41.8135 -22.5829 -63.2338 -21.8329 -9.83195 TIMING: 1720600 CPU: 4989.09, 0.00288505/step Wall: 4989.09, 0.00288505/step, 2.62812 hours remaining, 208.304688 MB of memory in use. ENERGY: 1720600 770.9818 2080.2457 1974.4370 128.4074 -206982.5664 18125.2033 0.0000 0.0000 34328.6247 -149574.6665 299.8004 -183903.2912 -149475.6578 298.3352 -7.0396 27.2636 558633.8074 -21.3344 -21.3710 PRESSURE: 1720800 12.2014 -118.325 7.2039 -118.325 -96.3523 25.3833 7.20358 25.3837 280.436 GPRESSURE: 1720800 85.9029 -158.682 -65.5503 -84.2668 -104.471 -17.4114 -8.85678 61.0725 318.573 PRESSAVG: 1720800 7.83991 -8.22192 -7.23974 -8.22197 -1.99879 -41.0878 -7.23968 -41.0877 13.1166 GPRESSAVG: 1720800 6.69914 -7.36432 -4.92303 -8.44046 -1.40442 -40.4125 -8.9706 -43.4233 13.4643 TIMING: 1720800 CPU: 4989.67, 0.00289349/step Wall: 4989.67, 0.00289349/step, 2.63565 hours remaining, 208.304688 MB of memory in use. ENERGY: 1720800 741.3635 2113.7786 1951.9053 129.5792 -206499.5714 17974.1411 0.0000 0.0000 34140.8714 -149447.9322 298.1607 -183588.8036 -149347.2204 299.0381 65.4285 100.0016 557123.8299 6.3192 6.2530 PRESSURE: 1721000 -22.4714 -64.9498 -137.358 -64.95 97.0546 89.8397 -137.359 89.8398 41.4183 GPRESSURE: 1721000 -6.1953 -24.4207 -182.221 25.4361 152.193 30.6429 -93.2919 100.501 59.9837 PRESSAVG: 1721000 -58.5942 -25.3644 -35.7464 -25.3645 18.8459 33.5033 -35.7464 33.5031 49.8738 GPRESSAVG: 1721000 -58.185 -27.102 -39.0401 -26.2232 19.2606 34.8677 -32.7271 33.6473 49.0026 TIMING: 1721000 CPU: 4990.24, 0.00287383/step Wall: 4990.24, 0.00287383/step, 2.61758 hours remaining, 208.304688 MB of memory in use. ENERGY: 1721000 698.0544 2092.2574 2006.6629 119.0098 -206060.8815 17880.9318 0.0000 0.0000 34139.3858 -149124.5795 298.1477 -183263.9653 -149030.7915 298.9253 38.6672 68.6604 559693.1761 3.3752 3.3594 PRESSURE: 1721200 -167.354 113.699 -74.9299 113.698 -94.8001 22.2729 -74.9293 22.2743 6.17354 GPRESSURE: 1721200 -142.461 143.281 -63.0817 139.371 -55.6566 -19.4055 -118.159 33.0763 32.2344 PRESSAVG: 1721200 -15.7398 44.9156 -33.4139 44.9157 19.9691 20.7387 -33.4138 20.7388 -44.0325 GPRESSAVG: 1721200 -15.3622 46.2028 -31.4678 46.2916 19.7152 19.7418 -34.0273 22.1016 -44.3872 TIMING: 1721200 CPU: 4990.82, 0.00288084/step Wall: 4990.82, 0.00288084/step, 2.62381 hours remaining, 208.304688 MB of memory in use. ENERGY: 1721200 734.5924 2105.2512 1925.3674 108.0920 -205929.0705 17714.1450 0.0000 0.0000 34071.4928 -149270.1298 297.5548 -183341.6226 -149174.1678 298.4682 -85.3270 -55.2943 559228.6144 -13.2677 -13.3447 PRESSURE: 1721400 -161.609 -79.1941 -39.3973 -79.1948 62.3795 -58.9641 -39.3969 -58.965 8.52051 GPRESSURE: 1721400 -133.197 -229.508 -7.97907 0.976501 113.049 -33.6262 26.6316 -57.883 27.8095 PRESSAVG: 1721400 -19.0215 -19.5919 29.1187 -19.5919 0.839763 -23.2978 29.1187 -23.2979 60.242 GPRESSAVG: 1721400 -20.1769 -19.4117 29.0469 -20.8865 1.32271 -25.3161 28.679 -22.7661 61.3164 TIMING: 1721400 CPU: 4991.4, 0.00288334/step Wall: 4991.4, 0.00288334/step, 2.62592 hours remaining, 208.304688 MB of memory in use. ENERGY: 1721400 736.2106 2091.4862 1965.9047 131.0593 -206008.7497 17732.1981 0.0000 0.0000 34030.7784 -149321.1123 297.1993 -183351.8907 -149220.8105 298.3685 -30.2362 2.5537 557894.0805 14.0201 14.1541 PRESSURE: 1721600 -15.2877 59.2481 -144.724 59.248 -38.0338 -31.9749 -144.724 -31.9741 91.7615 GPRESSURE: 1721600 50.0963 144.883 -228.343 101.837 -16.3297 -66.9599 -78.7692 -19.515 119.568 PRESSAVG: 1721600 -32.8469 -46.4448 26.9869 -46.4447 -10.6552 -55.1975 26.9869 -55.1976 31.8506 GPRESSAVG: 1721600 -32.2736 -47.5964 26.2978 -43.2053 -9.91503 -52.2863 25.4798 -55.2537 30.9148 TIMING: 1721600 CPU: 4991.97, 0.00287652/step Wall: 4991.97, 0.00287652/step, 2.61955 hours remaining, 208.304688 MB of memory in use. ENERGY: 1721600 762.2096 2115.9949 1950.0946 130.2965 -206291.0852 17825.8325 0.0000 0.0000 34149.8561 -149356.8009 298.2392 -183506.6570 -149266.7196 298.4860 12.8133 51.1115 558793.8003 -3.8838 -3.7580 PRESSURE: 1721800 2.45901 25.5794 93.9313 25.5803 -146.384 4.90869 93.9325 4.90844 -151.811 GPRESSURE: 1721800 -12.2402 2.36762 85.1453 50.1871 -140.215 -44.6773 67.7528 -58.9812 -44.8897 PRESSAVG: 1721800 -78.996 -6.21538 -19.7047 -6.21543 18.1075 12.4471 -19.7046 12.447 52.7973 GPRESSAVG: 1721800 -79.0752 -4.65653 -19.2337 -9.08307 18.3363 12.3497 -17.7807 10.6452 52.6063 TIMING: 1721800 CPU: 4992.54, 0.00286421/step Wall: 4992.54, 0.00286421/step, 2.60818 hours remaining, 208.304688 MB of memory in use. ENERGY: 1721800 738.1704 2037.0193 1938.5000 103.1166 -206292.0580 17730.9029 0.0000 0.0000 34189.7040 -149554.6447 298.5872 -183744.3488 -149458.0780 299.1967 -98.5787 -65.7817 557666.9046 -2.6971 -2.7109 PRESSURE: 1722000 -151.756 100.464 -46.7384 100.465 -232.067 44.4916 -46.7378 44.4915 -175.618 GPRESSURE: 1722000 -42.7821 181.166 -20.9436 104.188 -241.985 88.862 -9.30843 53.9991 -167.171 PRESSAVG: 1722000 -29.8356 -0.813836 -3.8791 -0.813842 -10.9085 12.2347 -3.87919 12.2347 25.9849 GPRESSAVG: 1722000 -28.5456 -1.69334 -2.46911 0.389456 -12.1833 10.8987 -4.40964 12.8652 26.026 TIMING: 1722000 CPU: 4993.12, 0.00289787/step Wall: 4993.12, 0.00289787/step, 2.63867 hours remaining, 208.304688 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: 1722000 721.2462 2040.1960 1974.1745 132.3080 -206055.1949 17535.7927 0.0000 0.0000 34199.6736 -149451.8039 298.6743 -183651.4775 -149358.3934 298.0696 -186.4804 -150.6461 557761.9149 -4.9197 -4.9009 PRESSURE: 1722200 33.1696 -79.7141 34.9496 -79.7122 21.645 213.728 34.9484 213.729 102.739 GPRESSURE: 1722200 47.8856 -86.5968 27.0257 -52.5945 84.2989 154.426 -54.6415 332.937 98.696 PRESSAVG: 1722200 -42.3016 -34.1331 28.9571 -34.133 -34.8579 6.38109 28.9571 6.38108 93.6834 GPRESSAVG: 1722200 -43.6764 -33.4384 27.7444 -34.1085 -34.2588 6.69991 29.6866 6.81541 94.5349 TIMING: 1722200 CPU: 4993.7, 0.00287552/step Wall: 4993.7, 0.00287552/step, 2.61816 hours remaining, 208.304688 MB of memory in use. ENERGY: 1722200 743.3596 2077.5788 1982.7827 107.0526 -206188.1762 17726.2414 0.0000 0.0000 34316.0879 -149235.0733 299.6909 -183551.1612 -149143.1923 298.6973 52.5177 76.9602 556582.5717 5.5080 5.5332 PRESSURE: 1722400 356.66 -30.926 69.5433 -30.9267 -15.2141 -73.2166 69.5446 -73.2156 97.669 GPRESSURE: 1722400 378.522 6.0313 52.1081 -85.6749 81.9255 -16.5336 87.6301 -41.2293 80.2387 PRESSAVG: 1722400 -30.5127 -3.79252 25.9264 -3.7926 28.7764 47.0611 25.9264 47.061 30.3123 GPRESSAVG: 1722400 -30.1304 -3.32573 26.0356 -5.25682 28.9764 46.5553 25.5113 47.8793 29.5638 TIMING: 1722400 CPU: 4994.27, 0.00287689/step Wall: 4994.27, 0.00287689/step, 2.61925 hours remaining, 208.304688 MB of memory in use. ENERGY: 1722400 735.6460 2051.3471 1992.5191 115.4373 -206307.2430 17999.2140 0.0000 0.0000 33948.9068 -149464.1727 296.4842 -183413.0795 -149368.5324 299.1966 146.3715 180.2287 557518.6827 9.5254 9.4699 PRESSURE: 1722600 -162.026 -166.907 -140.767 -166.907 -136.271 85.9898 -140.766 85.9879 -444.354 GPRESSURE: 1722600 -152.833 -163.973 -138.816 -172.052 -85.3052 194.059 -101.049 92.4338 -405.676 PRESSAVG: 1722600 39.5718 -27.3213 17.8642 -27.3212 38.1524 20.717 17.8642 20.7171 -81.9968 GPRESSAVG: 1722600 39.8422 -28.6405 17.2542 -25.3439 38.479 20.4548 18.0185 21.409 -82.0569 TIMING: 1722600 CPU: 4994.85, 0.00288422/step Wall: 4994.85, 0.00288422/step, 2.62576 hours remaining, 208.304688 MB of memory in use. ENERGY: 1722600 742.2153 2078.6577 1944.0746 111.3165 -205728.6475 17488.9717 0.0000 0.0000 33915.1673 -149448.2444 296.1896 -183363.4117 -149363.0647 298.1346 -247.5505 -214.6047 557146.0540 -1.4242 -1.2452 PRESSURE: 1722800 176.154 -132.608 -181.545 -132.609 158.833 -166.989 -181.545 -166.988 -97.7362 GPRESSURE: 1722800 170.556 -60.7017 -178.338 -160.33 228.254 -86.6701 -146.181 -197.417 -67.1739 PRESSAVG: 1722800 -11.7409 -41.6209 -30.1775 -41.6209 -23.9075 22.2715 -30.1775 22.2716 -5.58794 GPRESSAVG: 1722800 -12.9469 -41.648 -30.4609 -43.2239 -23.2927 23.9033 -27.932 21.6223 -4.67817 TIMING: 1722800 CPU: 4995.43, 0.00287277/step Wall: 4995.43, 0.00287277/step, 2.61517 hours remaining, 208.304688 MB of memory in use. ENERGY: 1722800 776.5813 2016.3469 1941.1247 103.4517 -206546.7014 18033.0763 0.0000 0.0000 34265.4553 -149410.6653 299.2487 -183676.1206 -149320.9591 298.7432 79.0836 110.5454 556800.3409 -13.7454 -13.6392 PRESSURE: 1723000 -191.618 1.49559 6.50174 1.49434 -126.134 109.467 6.50186 109.467 155.36 GPRESSURE: 1723000 -125.463 2.13898 -28.6435 18.7993 -69.6259 109.035 72.66 149.882 126.158 PRESSAVG: 1723000 14.6667 57.1267 14.5268 57.1266 51.9462 -4.39554 14.5269 -4.39553 -34.9631 GPRESSAVG: 1723000 16.3903 56.6453 14.841 59.6425 51.3035 -4.56591 11.6651 -4.78387 -35.4115 TIMING: 1723000 CPU: 4996.01, 0.00289774/step Wall: 4996.01, 0.00289774/step, 2.63774 hours remaining, 208.304688 MB of memory in use. ENERGY: 1723000 777.9540 2042.3847 1953.9544 114.9789 -206296.2228 17733.4296 0.0000 0.0000 34350.7609 -149322.7604 299.9937 -183673.5213 -149226.8699 299.1820 -54.1309 -22.9770 556760.1879 10.5499 10.7608 PRESSURE: 1723200 -168.685 -110.848 -51.0409 -110.849 309.984 35.6796 -51.0402 35.6807 -37.8871 GPRESSURE: 1723200 -67.191 -99.3345 -80.6705 -120.582 296.419 37.7322 -16.2113 91.8973 -18.063 PRESSAVG: 1723200 -21.686 -1.46543 43.8009 -1.46544 1.91095 -9.11236 43.8008 -9.11233 -14.0117 GPRESSAVG: 1723200 -21.6687 -0.262977 44.6971 -3.68193 1.60454 -11.0672 44.3693 -8.95378 -13.3103 TIMING: 1723200 CPU: 4996.59, 0.00291946/step Wall: 4996.59, 0.00291946/step, 2.65736 hours remaining, 208.304688 MB of memory in use. ENERGY: 1723200 732.2672 2016.0900 1986.9051 106.8384 -206192.5860 17969.6335 0.0000 0.0000 34085.7363 -149295.1155 297.6792 -183380.8518 -149200.6899 298.3578 34.4706 70.3883 557856.6434 -11.2622 -11.1248 PRESSURE: 1723400 181.209 -10.5372 -14.0874 -10.5384 190.719 19.9941 -14.0863 19.9941 219.158 GPRESSURE: 1723400 218.046 -50.376 -35.0363 47.9549 226.537 27.1731 -75.2766 -2.49391 238.253 PRESSAVG: 1723400 32.6415 -21.4018 18.4695 -21.4018 1.12669 25.7716 18.4697 25.7717 -7.18986 GPRESSAVG: 1723400 31.7982 -22.8619 17.2924 -18.0346 1.16592 27.9738 20.0908 24.2738 -6.44174 TIMING: 1723400 CPU: 4997.16, 0.00286036/step Wall: 4997.16, 0.00286036/step, 2.60341 hours remaining, 208.304688 MB of memory in use. ENERGY: 1723400 756.0613 2040.3106 1936.6555 119.7595 -206356.7111 18029.0766 0.0000 0.0000 34245.9785 -149228.8691 299.0786 -183474.8476 -149132.4480 299.1818 197.0286 227.6121 555975.0368 8.8595 8.8408 PRESSURE: 1723600 54.4606 -4.70558 56.4604 -4.70496 -99.1152 -201.435 56.4596 -201.435 81.5305 GPRESSURE: 1723600 62.5837 -30.3503 48.6552 -77.2032 -58.6704 -182.866 -5.80518 -218.994 129.402 PRESSAVG: 1723600 -3.79208 42.7967 -31.93 42.7967 -25.462 -9.35489 -31.93 -9.35498 -4.2609 GPRESSAVG: 1723600 -2.79468 43.1572 -30.1049 40.1568 -26.0223 -10.7488 -34.1115 -7.43407 -4.5598 TIMING: 1723600 CPU: 4997.73, 0.00286093/step Wall: 4997.73, 0.00286092/step, 2.60376 hours remaining, 208.304688 MB of memory in use. ENERGY: 1723600 764.0252 2042.8670 1958.3014 112.2095 -206391.5938 17933.5337 0.0000 0.0000 34309.8144 -149270.8427 299.6361 -183580.6570 -149177.2098 298.9527 12.2920 44.4385 557358.9905 -11.1717 -11.1256 PRESSURE: 1723800 35.2644 -164.294 80.9063 -164.294 -92.1711 -129.387 80.9055 -129.387 -123.655 GPRESSURE: 1723800 53.7884 -188.988 42.7188 -119.404 -25.6884 -79.7917 10.3657 -103.908 -98.8892 PRESSAVG: 1723800 41.4224 -38.359 10.9337 -38.3589 -17.9072 -17.7965 10.9337 -17.7965 -23.3881 GPRESSAVG: 1723800 40.0547 -36.7532 8.59304 -38.9849 -16.8254 -16.8842 11.2365 -18.9088 -22.6891 TIMING: 1723800 CPU: 4998.31, 0.00286045/step Wall: 4998.31, 0.00286045/step, 2.60317 hours remaining, 208.304688 MB of memory in use. ENERGY: 1723800 731.3489 2053.7578 1922.3243 107.4478 -206034.7062 17762.9257 0.0000 0.0000 34207.6298 -149249.2719 298.7437 -183456.9017 -149143.1630 298.7092 -60.1872 -23.5964 557823.5718 0.0423 0.1801 PRESSURE: 1724000 -371.689 -30.7927 157.312 -30.7931 -60.3941 137.76 157.312 137.76 -162.25 GPRESSURE: 1724000 -292.768 -42.0315 165.996 -51.1349 -30.7664 100.926 147.835 167.283 -172.533 PRESSAVG: 1724000 1.00258 -31.3232 38.0874 -31.3232 36.603 28.2576 38.0874 28.2574 -59.2137 GPRESSAVG: 1724000 1.56935 -31.2162 40.5823 -31.9677 38.2091 26.8404 36.964 30.4653 -61.0087 TIMING: 1724000 CPU: 4998.88, 0.00286513/step Wall: 4998.88, 0.00286513/step, 2.60727 hours remaining, 208.304688 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: 1724000 768.8247 2057.2640 1948.5298 109.0455 -205934.4836 17619.7821 0.0000 0.0000 34214.1236 -149216.9139 298.8005 -183431.0375 -149119.6894 299.2712 -198.1108 -165.3558 557805.1562 -7.2027 -7.0768 PRESSURE: 1724200 -30.4143 12.3943 179.802 12.393 236.016 230.839 179.803 230.838 32.8441 GPRESSURE: 1724200 -1.81558 -48.4527 191.534 41.4308 271.357 249.946 144.26 140.711 67.2316 PRESSAVG: 1724200 -22.2923 -60.123 65.3096 -60.1229 59.3687 59.3874 65.3095 59.3874 -50.085 GPRESSAVG: 1724200 -22.8394 -61.1212 66.1464 -61.2049 58.1632 59.5782 65.6622 59.4148 -48.825 TIMING: 1724200 CPU: 4999.45, 0.00286636/step Wall: 4999.45, 0.00286636/step, 2.60823 hours remaining, 208.304688 MB of memory in use. ENERGY: 1724200 719.7009 2064.8542 1954.9302 120.8867 -206189.0019 17879.3758 0.0000 0.0000 34267.3454 -149181.9087 299.2653 -183449.2541 -149085.6745 298.6409 79.4818 112.2575 557488.0079 -4.3362 -4.5004 LDB: ============= START OF LOAD BALANCING ============== 5002.83 LDB: ============== END OF LOAD BALANCING =============== 5002.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5002.84 LDB: ============= START OF LOAD BALANCING ============== 5003.12 LDB: Largest compute 4820 load 0.023865 is 20.2% of average load 0.117907 LDB: Average compute 0.001718 is 1.5% of average load 0.117907 LDB: TIME 5003.13 LOAD: AVG 0.117907 MAX 0.179846 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 5003.13 LOAD: AVG 0.117907 MAX 0.179846 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.094 MB LDB: TIME 5003.13 LOAD: AVG 0.117907 MAX 0.179846 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5003.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5003.13 PRESSURE: 1724400 -109.82 69.4076 11.6061 69.4074 218.754 12.6667 11.6063 12.667 -39.6502 GPRESSURE: 1724400 -32.3537 30.3375 96.6042 110.242 242.551 34.6725 -9.79849 44.9283 -31.5933 PRESSAVG: 1724400 16.8794 -51.4772 0.727872 -51.4773 67.9847 26.4405 0.727899 26.4404 -44.2206 GPRESSAVG: 1724400 17.926 -52.1592 -0.138046 -48.532 68.158 27.3753 1.70499 26.2841 -45.2151 TIMING: 1724400 CPU: 5000.04, 0.00292561/step Wall: 5000.04, 0.00292561/step, 2.66198 hours remaining, 210.171875 MB of memory in use. ENERGY: 1724400 725.6583 2102.3487 1978.3600 126.7890 -206364.5371 18000.2462 0.0000 0.0000 34218.2516 -149212.8833 298.8365 -183431.1349 -149113.8549 299.7231 23.0946 59.5347 557962.3389 13.5478 13.6230 PRESSURE: 1724600 107.858 76.9699 20.1405 76.9701 18.1693 -139.134 20.1406 -139.135 -217.474 GPRESSURE: 1724600 92.5801 97.2257 -9.15713 3.18798 87.4282 -222.382 -43.2099 -39.0125 -173.979 PRESSAVG: 1724600 52.2113 36.6099 23.9791 36.6098 9.61823 -44.1639 23.979 -44.164 -79.0785 GPRESSAVG: 1724600 51.975 38.1489 24.2234 34.6878 9.07867 -45.0673 22.5674 -43.4028 -78.2242 TIMING: 1724600 CPU: 5000.61, 0.00287077/step Wall: 5000.61, 0.00287077/step, 2.61192 hours remaining, 210.371094 MB of memory in use. ENERGY: 1724600 737.7191 2079.2568 1984.0542 116.4628 -206194.7550 17940.8966 0.0000 0.0000 34158.8613 -149177.5042 298.3178 -183336.3656 -149085.4760 298.7369 -30.4821 2.0098 558825.6820 -5.7497 -5.7235 PRESSURE: 1724800 370.875 -129.214 36.977 -129.214 120.032 -27.0532 36.9766 -27.0518 290.519 GPRESSURE: 1724800 457.353 -155.777 94.496 -72.9502 98.1549 -22.1181 -28.3592 -19.1518 319.798 PRESSAVG: 1724800 -25.8237 -17.601 17.1589 -17.6011 11.5359 31.1709 17.159 31.1708 49.9852 GPRESSAVG: 1724800 -25.6786 -16.835 16.2889 -17.9199 12.8658 31.7279 18.6515 31.9088 48.6463 TIMING: 1724800 CPU: 5001.19, 0.00288686/step Wall: 5001.19, 0.00288686/step, 2.6264 hours remaining, 210.371094 MB of memory in use. ENERGY: 1724800 710.4721 2165.8054 1954.7538 107.8748 -206383.3845 18055.6131 0.0000 0.0000 34348.7898 -149040.0756 299.9765 -183388.8653 -148946.6911 299.8997 260.4755 291.7687 556427.2771 11.8991 11.9445 PRESSURE: 1725000 32.3979 77.5346 -0.468345 77.5354 -212.625 -90.9191 -0.468708 -90.9189 -69.8358 GPRESSURE: 1725000 68.8997 15.5882 28.8939 131.778 -150.588 -56.015 -22.2425 -175.224 -70.1476 PRESSAVG: 1725000 48.4381 29.529 7.59361 29.529 -64.8416 30.1501 7.59355 30.1502 -1.2584 GPRESSAVG: 1725000 49.422 27.803 4.96908 29.1684 -65.4244 30.9374 6.53745 28.4205 -1.00444 TIMING: 1725000 CPU: 5001.77, 0.00289165/step Wall: 5001.77, 0.00289165/step, 2.6306 hours remaining, 210.371094 MB of memory in use. ENERGY: 1725000 723.9503 2164.1955 1932.7953 116.1167 -206199.2169 17763.6471 0.0000 0.0000 34508.5069 -148990.0051 301.3714 -183498.5120 -148895.3179 299.8122 -83.3544 -50.6120 558205.8640 -5.8873 -5.6690 PRESSURE: 1725200 -229.517 -24.8187 30.6492 -24.819 -65.491 -6.72604 30.6487 -6.72626 -61.4895 GPRESSURE: 1725200 -216.834 -42.6108 22.5263 -40.2873 -29.5777 -36.5804 64.6424 -52.4948 -12.5576 PRESSAVG: 1725200 32.5756 44.5741 47.1933 44.5741 -37.1133 9.98449 47.1932 9.98459 30.0392 GPRESSAVG: 1725200 32.5108 43.1699 46.2674 45.6374 -35.6531 9.57343 49.7142 9.10263 28.8971 TIMING: 1725200 CPU: 5002.34, 0.00287837/step Wall: 5002.34, 0.00287837/step, 2.61836 hours remaining, 210.371094 MB of memory in use. ENERGY: 1725200 787.8250 2138.7202 1950.8387 128.8654 -205659.8342 17496.8148 0.0000 0.0000 34350.0872 -148806.6829 299.9879 -183156.7701 -148712.9260 300.9701 -118.8324 -86.3231 556188.5554 8.5005 8.5850 PRESSURE: 1725400 -348.864 -49.5734 -33.8896 -49.5739 -223.318 -74.5229 -33.8892 -74.5236 -122.92 GPRESSURE: 1725400 -292.747 -127.299 -49.6726 -20.119 -221.427 -48.4294 25.2646 -94.6511 -97.3608 PRESSAVG: 1725400 54.8853 1.15156 49.5663 1.15167 -31.3517 5.93035 49.5663 5.93035 -1.56954 GPRESSAVG: 1725400 55.1687 1.66486 52.3796 1.50401 -32.542 4.94343 47.4707 7.21119 -0.448114 TIMING: 1725400 CPU: 5002.92, 0.00287819/step Wall: 5002.92, 0.00287819/step, 2.61803 hours remaining, 210.371094 MB of memory in use. ENERGY: 1725400 783.2279 2176.1904 1944.3486 120.7679 -205487.5850 17515.7530 0.0000 0.0000 34203.7795 -148743.5178 298.7101 -182947.2973 -148642.6017 301.2240 -231.7004 -203.8452 557638.4374 7.3214 7.3929 PRESSURE: 1725600 -184.6 157.727 -106.13 157.727 -140.207 -80.2542 -106.129 -80.2547 128.539 GPRESSURE: 1725600 -161.445 130.232 -90.5466 135.826 -125.448 -31.8475 -115.066 -145.421 182.715 PRESSAVG: 1725600 -62.9157 -23.1929 15.7134 -23.1929 30.89 -13.6422 15.7133 -13.6422 3.16128 GPRESSAVG: 1725600 -64.2976 -21.2019 15.6014 -24.3271 32.2396 -12.0751 17.7476 -11.8211 3.69307 TIMING: 1725600 CPU: 5003.49, 0.00288096/step Wall: 5003.49, 0.00288096/step, 2.6204 hours remaining, 210.371094 MB of memory in use. ENERGY: 1725600 740.6288 2091.8728 1981.4323 113.9878 -205919.7363 17707.7634 0.0000 0.0000 34399.9335 -148884.1179 300.4232 -183284.0514 -148788.1448 301.0032 -65.4229 -34.7263 558712.1805 -9.6215 -9.4550 PRESSURE: 1725800 -160.797 43.7589 50.1781 43.7598 -61.8034 97.4056 50.1774 97.4044 -15.0118 GPRESSURE: 1725800 -108.365 102.656 18.2844 24.7285 -45.7566 54.6114 61.1702 145.619 21.4865 PRESSAVG: 1725800 -3.51016 -7.1461 12.1092 -7.14603 -53.1124 10.8946 12.1092 10.8947 34.7517 GPRESSAVG: 1725800 -1.92571 -9.4557 11.7848 -6.81845 -54.0536 10.0219 10.9204 9.3619 34.0325 TIMING: 1725800 CPU: 5004.07, 0.00289291/step Wall: 5004.07, 0.0028929/step, 2.6311 hours remaining, 210.371094 MB of memory in use. ENERGY: 1725800 736.1575 2104.0431 1970.6609 125.0544 -206123.5726 17692.6246 0.0000 0.0000 34456.0912 -149038.9410 300.9136 -183495.0321 -148946.3443 299.5554 -79.2042 -44.2117 559135.0077 -7.2903 -7.3156 PRESSURE: 1726000 113.601 -114.371 -67.4389 -114.372 -70.0649 178.782 -67.44 178.783 -65.8094 GPRESSURE: 1726000 151.795 -147.413 -75.4072 -64.1362 -38.483 155.645 -28.5891 161.388 -50.3936 PRESSAVG: 1726000 20.5517 -3.55679 -26.767 -3.55681 4.01341 -16.0064 -26.767 -16.0064 -59.2083 GPRESSAVG: 1726000 20.0591 -3.4508 -26.4071 -2.16302 4.23748 -16.7798 -28.235 -15.3937 -58.7788 TIMING: 1726000 CPU: 5004.65, 0.00289555/step Wall: 5004.65, 0.00289555/step, 2.63334 hours remaining, 210.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1726000 785.0638 2117.6274 1980.0077 101.3744 -206038.6437 17881.5310 0.0000 0.0000 34120.6672 -149052.3722 297.9843 -183173.0394 -148961.3032 299.5333 -7.4243 20.9729 559105.0870 -11.5477 -11.4941 PRESSURE: 1726200 50.8297 182.647 46.3139 182.647 -12.8483 0.977357 46.3134 0.978638 27.3254 GPRESSURE: 1726200 27.0888 161.818 11.3249 155.825 44.0924 21.6501 72.5863 2.98646 85.6225 PRESSAVG: 1726200 -2.35649 8.21408 36.428 8.21405 -0.0207112 3.29439 36.428 3.29444 34.018 GPRESSAVG: 1726200 -1.74013 7.53017 37.3339 7.74676 -1.69772 3.11684 35.637 0.968089 34.876 TIMING: 1726200 CPU: 5005.23, 0.00290096/step Wall: 5005.23, 0.00290096/step, 2.6381 hours remaining, 210.371094 MB of memory in use. ENERGY: 1726200 757.0201 2058.8596 1967.9669 108.5389 -206402.3561 17918.0187 0.0000 0.0000 34289.7366 -149302.2154 299.4608 -183591.9520 -149204.7913 298.9971 21.7689 52.2679 558882.8009 10.5469 10.4794 PRESSURE: 1726400 -386.61 80.2279 -32.8874 80.2284 146.881 120.828 -32.8863 120.83 -145.064 GPRESSURE: 1726400 -359.177 112.848 -24.0361 103.17 90.5714 35.9661 -79.4304 152.95 -13.1266 PRESSAVG: 1726400 -11.8503 36.1879 42.127 36.1879 42.6908 -6.24024 42.127 -6.24016 -15.6229 GPRESSAVG: 1726400 -12.0671 37.6974 39.7726 36.4067 43.0436 -6.55919 42.097 -6.11224 -15.3037 TIMING: 1726400 CPU: 5005.81, 0.00287929/step Wall: 5005.81, 0.00287929/step, 2.61823 hours remaining, 210.371094 MB of memory in use. ENERGY: 1726400 726.1128 2045.0981 1963.2625 107.7236 -206089.0208 17613.4373 0.0000 0.0000 34202.1574 -149431.2292 298.6959 -183633.3866 -149344.0997 299.1461 -128.2643 -93.9108 558008.9517 5.0725 5.2243 PRESSURE: 1726600 -168.811 208.97 130.374 208.97 52.229 64.2 130.374 64.2001 -349.62 GPRESSURE: 1726600 -114.029 272.944 128.765 126.806 85.7235 100.396 261.803 25.6109 -342.899 PRESSAVG: 1726600 -88.0536 39.3998 10.0109 39.3998 64.7006 -59.4537 10.0109 -59.4537 17.7736 GPRESSAVG: 1726600 -88.9764 38.7777 10.4407 39.7513 66.3534 -58.9694 12.1838 -59.7179 17.5145 TIMING: 1726600 CPU: 5006.39, 0.00288666/step Wall: 5006.39, 0.00288666/step, 2.62478 hours remaining, 210.371094 MB of memory in use. ENERGY: 1726600 749.9573 2078.4366 1951.2078 119.3125 -206074.9257 17717.1366 0.0000 0.0000 34061.5331 -149397.3418 297.4678 -183458.8749 -149298.9463 299.0196 -155.4004 -123.7349 558740.5706 -1.8598 -1.7028 PRESSURE: 1726800 -44.4916 28.4899 148.577 28.4908 -6.57065 -55.8048 148.576 -55.8052 -126.541 GPRESSURE: 1726800 22.612 38.1696 126.012 76.2487 28.2743 -60.3466 217.991 -22.1237 -138.353 PRESSAVG: 1726800 -3.00552 -8.02081 -41.7697 -8.02082 1.72606 -83.0371 -41.7697 -83.0371 22.9184 GPRESSAVG: 1726800 -0.908036 -7.86421 -42.0826 -7.8747 0.368891 -82.5693 -43.1568 -80.8858 22.7443 TIMING: 1726800 CPU: 5006.96, 0.00288537/step Wall: 5006.96, 0.00288537/step, 2.62344 hours remaining, 210.371094 MB of memory in use. ENERGY: 1726800 753.5986 2066.5798 1944.2455 126.5918 -206101.5899 17724.0389 0.0000 0.0000 34118.0091 -149368.5263 297.9611 -183486.5354 -149263.5542 298.8951 -59.2011 -29.1557 558067.2833 7.2130 7.4017 PRESSURE: 1727000 282.125 -26.7171 4.60951 -26.7172 345.226 -113.918 4.60916 -113.919 90.419 GPRESSURE: 1727000 308.116 -59.1243 51.0018 -30.1813 417.739 -94.0717 -62.5415 -68.9967 101.407 PRESSAVG: 1727000 60.5543 -20.4913 11.8008 -20.4912 3.12607 -30.9873 11.8008 -30.9874 -55.5189 GPRESSAVG: 1727000 60.8752 -21.0358 13.1276 -20.7639 3.77991 -32.5783 11.4563 -32.2446 -55.3899 TIMING: 1727000 CPU: 5007.54, 0.00286772/step Wall: 5007.54, 0.00286772/step, 2.60723 hours remaining, 210.371094 MB of memory in use. ENERGY: 1727000 705.1903 2092.2963 1968.6268 126.6227 -206624.0989 18205.9079 0.0000 0.0000 34061.6051 -149463.8499 297.4685 -183525.4549 -149370.9500 299.0389 239.2567 275.7542 557219.0456 2.7205 3.0884 PRESSURE: 1727200 271.558 29.1312 -84.4538 29.1312 177.054 -34.7391 -84.4539 -34.7387 325.137 GPRESSURE: 1727200 350.126 2.56788 -20.3748 89.2291 171.183 83.7531 -89.8803 -35.1796 359.051 PRESSAVG: 1727200 21.4772 38.3658 38.8783 38.3658 5.96667 -10.3602 38.8784 -10.3602 -3.45128 GPRESSAVG: 1727200 20.4985 39.4347 38.9661 35.9391 6.78156 -8.92804 37.879 -12.5822 -3.05425 TIMING: 1727200 CPU: 5008.11, 0.00287374/step Wall: 5008.11, 0.00287374/step, 2.61255 hours remaining, 210.371094 MB of memory in use. ENERGY: 1727200 710.6325 2145.1742 1953.8445 114.1568 -206808.7393 18099.3169 0.0000 0.0000 34420.1597 -149365.4546 300.5998 -183785.6144 -149264.5855 299.7968 257.9165 293.4536 555162.5211 7.9975 8.0753 PRESSURE: 1727400 -38.656 -91.8863 261.487 -91.8863 -184.193 -168.831 261.487 -168.83 92.7496 GPRESSURE: 1727400 9.42262 -138.723 273.571 -57.4141 -127.809 -212.375 246.677 -196.612 67.7056 PRESSAVG: 1727400 21.5854 -9.14438 -2.26781 -9.14429 -86.83 -30.8231 -2.26791 -30.8229 65.4438 GPRESSAVG: 1727400 22.3316 -11.2384 -3.45148 -7.1968 -86.6029 -32.4799 0.03219 -29.5711 64.6595 TIMING: 1727400 CPU: 5008.68, 0.00287011/step Wall: 5008.68, 0.00287011/step, 2.60909 hours remaining, 210.371094 MB of memory in use. ENERGY: 1727400 756.8898 2130.7340 1946.5686 106.2663 -206022.6963 17627.2480 0.0000 0.0000 34064.4913 -149390.4983 297.4937 -183454.9896 -149291.2410 298.5541 -43.3666 -16.8937 556524.0833 0.0664 0.1294 PRESSURE: 1727600 -121.329 -54.35 -104.807 -54.3519 129.551 -34.4168 -104.806 -34.4164 -379.277 GPRESSURE: 1727600 -103.609 -142.117 -66.0745 -46.6789 159.28 -43.1597 -115.372 -25.1542 -335.549 PRESSAVG: 1727600 -21.9748 11.975 -8.18626 11.9751 64.4424 -69.3698 -8.18634 -69.3698 -54.0267 GPRESSAVG: 1727600 -21.938 12.2415 -8.6459 13.2264 63.5336 -67.3995 -8.17706 -70.038 -53.2729 TIMING: 1727600 CPU: 5009.26, 0.00286792/step Wall: 5009.26, 0.00286792/step, 2.60694 hours remaining, 210.371094 MB of memory in use. ENERGY: 1727600 749.4996 2092.1720 1972.1331 112.8982 -206359.4481 17794.8387 0.0000 0.0000 34175.0570 -149462.8496 298.4593 -183637.9066 -149363.8794 298.1910 -123.6851 -93.2923 557177.9247 -3.8530 -3.8924 PRESSURE: 1727800 -68.985 36.9606 -20.3375 36.9611 138.089 -10.1159 -20.338 -10.116 53.1664 GPRESSURE: 1727800 -55.1409 6.19742 -14.2907 46.0641 190.374 -41.9952 40.4471 51.8727 82.6335 PRESSAVG: 1727800 13.06 2.18727 -19.386 2.18727 11.1609 -13.9123 -19.386 -13.9122 -24.7775 GPRESSAVG: 1727800 12.7614 2.28597 -18.346 2.04795 12.4026 -17.5269 -20.9782 -12.587 -25.643 TIMING: 1727800 CPU: 5009.83, 0.00286072/step Wall: 5009.83, 0.00286072/step, 2.60024 hours remaining, 210.371094 MB of memory in use. ENERGY: 1727800 723.7446 2154.2401 1966.8780 112.3105 -206255.0795 17710.6307 0.0000 0.0000 34297.8435 -149289.4320 299.5316 -183587.2755 -149199.6146 299.3602 40.7567 72.6221 555748.7267 -0.1856 -0.1597 PRESSURE: 1728000 -131.908 -82.4183 35.5187 -82.4172 -50.7165 159.036 35.5172 159.035 -266.443 GPRESSURE: 1728000 -155.79 -95.607 -36.835 -59.8458 16.5229 106.651 46.4055 179.745 -203.983 PRESSAVG: 1728000 -18.6903 -21.4885 -13.6656 -21.4885 14.5499 -17.747 -13.6656 -17.7471 27.4108 GPRESSAVG: 1728000 -17.4789 -19.4444 -13.944 -22.3614 13.0011 -15.2626 -12.4553 -16.7214 27.5981 TIMING: 1728000 CPU: 5010.41, 0.00290995/step Wall: 5010.41, 0.00290995/step, 2.64482 hours remaining, 210.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1728000 745.1173 2116.9781 1952.6122 124.5116 -206198.3883 17706.4493 0.0000 0.0000 34184.8359 -149367.8839 298.5447 -183552.7199 -149269.9695 299.3638 -149.6893 -114.4167 558054.2842 7.7568 7.7068 PRESSURE: 1728200 125.2 90.0049 15.9358 90.0043 -44.9001 -14.3438 15.9366 -14.3454 65.7898 GPRESSURE: 1728200 127.952 152.466 87.2207 12.8613 -17.1396 -57.9995 -73.5052 32.141 137.915 PRESSAVG: 1728200 56.3395 3.83807 -53.7194 3.83811 -30.6966 -29.3848 -53.7193 -29.3848 -9.85644 GPRESSAVG: 1728200 55.7826 3.0173 -53.0152 5.45439 -30.2434 -29.6294 -54.068 -28.8455 -10.1097 TIMING: 1728200 CPU: 5010.99, 0.00287584/step Wall: 5010.99, 0.00287584/step, 2.61366 hours remaining, 210.371094 MB of memory in use. ENERGY: 1728200 780.1476 2076.4287 1914.7941 114.2798 -206175.3352 17798.8301 0.0000 0.0000 34117.4885 -149373.3666 297.9565 -183490.8550 -149278.4945 298.5604 48.6966 82.9089 557143.7108 5.2621 5.1432 LDB: ============= START OF LOAD BALANCING ============== 5014.37 LDB: ============== END OF LOAD BALANCING =============== 5014.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5014.37 LDB: ============= START OF LOAD BALANCING ============== 5014.66 LDB: Largest compute 4820 load 0.024452 is 20.7% of average load 0.117900 LDB: Average compute 0.001726 is 1.5% of average load 0.117900 LDB: TIME 5014.66 LOAD: AVG 0.1179 MAX 0.177271 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 5014.66 LOAD: AVG 0.1179 MAX 0.177271 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: TIME 5014.66 LOAD: AVG 0.1179 MAX 0.177271 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5014.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5014.67 PRESSURE: 1728400 13.1184 100.572 65.1381 100.572 -103.447 88.9054 65.1382 88.9051 126.958 GPRESSURE: 1728400 5.71672 95.7031 -6.43018 -3.23767 -68.1019 147.675 87.0821 25.7173 195.138 PRESSAVG: 1728400 82.8867 -1.65593 -58.9919 -1.65594 -14.0738 5.2674 -58.9919 5.26744 -78.3694 GPRESSAVG: 1728400 83.0634 -0.177566 -61.7442 -4.26898 -14.8275 5.15182 -57.8419 2.29947 -77.4742 TIMING: 1728400 CPU: 5011.57, 0.00293061/step Wall: 5011.57, 0.00293061/step, 2.66327 hours remaining, 207.589844 MB of memory in use. ENERGY: 1728400 737.0069 2059.1722 1951.3781 116.0543 -206225.1086 17926.7076 0.0000 0.0000 34001.1697 -149433.6197 296.9407 -183434.7895 -149337.1793 298.4079 12.2099 44.2509 557020.6804 -3.1855 -3.0795 PRESSURE: 1728600 -184.965 39.9375 -22.7428 39.9371 180.304 -212.515 -22.7427 -212.515 -244.383 GPRESSURE: 1728600 -179.168 59.8115 -20.4628 -8.97036 194.46 -292.696 -10.3648 -151.417 -169.115 PRESSAVG: 1728600 -36.9102 23.9429 18.5295 23.943 70.9494 -24.7241 18.5295 -24.7241 -38.0905 GPRESSAVG: 1728600 -36.9587 22.6531 20.9418 23.7348 70.8514 -25.3414 16.7634 -22.0837 -38.1355 TIMING: 1728600 CPU: 5012.15, 0.00288892/step Wall: 5012.15, 0.00288892/step, 2.62523 hours remaining, 207.589844 MB of memory in use. ENERGY: 1728600 729.3671 2061.2826 1972.6524 115.2996 -206296.7900 17667.5226 0.0000 0.0000 34199.3684 -149551.2974 298.6716 -183750.6658 -149453.9128 298.1240 -83.0145 -51.2744 556893.7168 -1.3504 -1.4142 PRESSURE: 1728800 -67.1671 79.926 -34.3392 79.9264 208.256 -13.6314 -34.3406 -13.6319 -61.5573 GPRESSURE: 1728800 -33.1209 71.227 -73.2214 174.384 196.805 16.5113 5.58675 30.1216 5.38044 PRESSAVG: 1728800 23.9302 17.4933 20.322 17.4933 54.3737 -9.09599 20.3219 -9.09603 -108.411 GPRESSAVG: 1728800 23.0909 17.7218 19.2304 19.0569 55.2906 -5.91888 21.6478 -12.6953 -109.304 TIMING: 1728800 CPU: 5012.73, 0.00289289/step Wall: 5012.73, 0.00289289/step, 2.62868 hours remaining, 207.589844 MB of memory in use. ENERGY: 1728800 764.1306 2075.2540 1946.2426 120.5716 -206306.1971 17847.5140 0.0000 0.0000 34004.1758 -149548.3085 296.9669 -183552.4843 -149450.4689 298.0172 26.5104 56.3547 557192.9130 -10.0359 -10.3076 PRESSURE: 1729000 -97.3616 34.2982 79.1897 34.2983 80.9903 31.5025 79.1898 31.5026 216.21 GPRESSURE: 1729000 -61.1991 42.024 114.759 97.4172 114.681 32.4341 83.8883 51.8991 239.901 PRESSAVG: 1729000 -37.127 50.1169 -1.20734 50.1168 36.5108 -63.8773 -1.20741 -63.8775 -0.95587 GPRESSAVG: 1729000 -36.976 49.2231 1.94335 51.4453 35.9654 -67.6024 -1.82964 -60.2979 -0.753747 TIMING: 1729000 CPU: 5013.3, 0.00286751/step Wall: 5013.3, 0.00286751/step, 2.60545 hours remaining, 207.589844 MB of memory in use. ENERGY: 1729000 760.4063 2059.6373 1945.9914 115.6542 -206408.5235 17961.0833 0.0000 0.0000 34075.0951 -149490.6559 297.5863 -183565.7510 -149388.6414 298.2408 66.6129 97.7943 556986.2218 -0.5240 -0.5881 PRESSURE: 1729200 -122.678 12.0401 159.194 12.0402 89.1616 47.2219 159.195 47.2212 -144.226 GPRESSURE: 1729200 -133.413 -15.3411 229.363 14.3515 155.151 38.6851 139.614 46.2612 -108.613 PRESSAVG: 1729200 -56.9515 -10.005 12.4757 -10.005 42.4227 12.8055 12.4757 12.8056 3.98883 GPRESSAVG: 1729200 -57.4236 -8.05564 9.43675 -11.6991 42.6237 11.5164 12.0855 9.64889 4.63157 TIMING: 1729200 CPU: 5013.88, 0.00287697/step Wall: 5013.88, 0.00287697/step, 2.61388 hours remaining, 207.589844 MB of memory in use. ENERGY: 1729200 753.2795 2040.5380 1953.6570 109.1690 -206261.1828 17690.2367 0.0000 0.0000 34091.7456 -149622.5570 297.7317 -183714.3026 -149525.7289 298.0105 -59.2473 -28.9583 556790.3815 -3.5134 -3.3895 PRESSURE: 1729400 182.761 87.976 -15.293 87.9748 67.6397 30.6955 -15.2936 30.6944 -8.89788 GPRESSURE: 1729400 230.47 198.879 -1.54336 30.6029 46.5026 58.5769 5.49417 54.6077 59.7664 PRESSAVG: 1729400 91.3344 58.7597 -25.0165 58.7598 -16.3878 -21.5498 -25.0165 -21.5497 -41.8398 GPRESSAVG: 1729400 92.4215 60.092 -24.0914 56.8276 -15.8756 -20.0791 -24.5381 -19.0132 -43.1746 TIMING: 1729400 CPU: 5014.45, 0.0028651/step Wall: 5014.45, 0.0028651/step, 2.60294 hours remaining, 207.589844 MB of memory in use. ENERGY: 1729400 747.6293 2049.5277 1958.5926 123.5925 -206652.5399 18149.0166 0.0000 0.0000 34091.9852 -149532.1961 297.7338 -183624.1813 -149438.9004 298.4083 80.5009 112.2462 557744.3930 11.0356 11.1238 PRESSURE: 1729600 -197.526 101.741 185.335 101.741 -59.9348 -67.207 185.335 -67.2054 -243.898 GPRESSURE: 1729600 -150.499 -56.625 218.874 113.288 -73.8861 -147.773 210.662 -3.10588 -188.006 PRESSAVG: 1729600 -13.5329 47.8647 20.6579 47.8646 -14.8744 14.863 20.6577 14.8631 9.50129 GPRESSAVG: 1729600 -13.1473 44.6736 21.1128 50.7011 -15.1978 14.0339 20.1167 14.9016 10.0265 TIMING: 1729600 CPU: 5015.03, 0.00288623/step Wall: 5015.03, 0.00288623/step, 2.62198 hours remaining, 207.589844 MB of memory in use. ENERGY: 1729600 727.7462 2062.9876 1974.5881 109.7370 -206065.4900 17569.7959 0.0000 0.0000 34176.8725 -149443.7626 298.4751 -183620.6351 -149349.6611 297.3431 -167.1194 -137.4638 559534.1083 -6.3020 -6.1062 PRESSURE: 1729800 -42.9207 -45.8166 -21.7973 -45.8147 153.493 38.8362 -21.7982 38.8347 26.6029 GPRESSURE: 1729800 50.0882 -21.7937 -43.9683 -94.1657 148.606 74.3889 -30.0126 7.86625 38.1648 PRESSAVG: 1729800 -63.7122 -32.0089 25.7911 -32.0089 72.8112 -82.0433 25.7911 -82.0433 2.29921 GPRESSAVG: 1729800 -63.9823 -29.9317 24.6657 -32.6464 72.4931 -79.7118 26.4506 -84.8938 2.25663 TIMING: 1729800 CPU: 5015.61, 0.0029107/step Wall: 5015.61, 0.0029107/step, 2.64405 hours remaining, 207.589844 MB of memory in use. ENERGY: 1729800 749.0458 2100.3251 1988.2096 102.7345 -206527.8410 17930.5907 0.0000 0.0000 34160.6800 -149496.2553 298.3337 -183656.9353 -149405.6091 298.2436 45.7250 78.9529 556531.6888 3.7994 3.5891 PRESSURE: 1730000 124.679 4.0552 62.0086 4.054 120.275 -84.3205 62.008 -84.3218 -165.603 GPRESSURE: 1730000 124.52 113.971 -11.333 -141.744 171.008 -4.24382 56.5049 -162.515 -111.494 PRESSAVG: 1730000 -32.5264 -3.03449 -43.7833 -3.03446 -4.14479 -16.4718 -43.7833 -16.4716 39.4351 GPRESSAVG: 1730000 -32.0564 -5.19095 -43.8754 -2.69055 -3.88272 -16.6299 -42.4662 -14.8782 39.3883 TIMING: 1730000 CPU: 5016.19, 0.00289643/step Wall: 5016.19, 0.00289643/step, 2.63093 hours remaining, 207.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1730000 747.9635 2043.2271 1982.1344 110.3896 -206237.7188 17844.1504 0.0000 0.0000 34014.1339 -149495.7199 297.0539 -183509.8537 -149400.6945 298.6533 26.4503 61.3445 557331.9907 0.9213 1.1497 PRESSURE: 1730200 -205.591 -86.8779 70.1411 -86.8773 -214.962 -79.2753 70.1405 -79.2735 -388.572 GPRESSURE: 1730200 -183.074 -90.6971 119.043 -70.8751 -178.823 -47.4516 6.12453 -89.5896 -340.924 PRESSAVG: 1730200 21.5041 -25.9146 1.97162 -25.9146 -6.5839 4.56345 1.97157 4.56349 -3.39458 GPRESSAVG: 1730200 20.0133 -23.7904 2.19656 -27.6474 -5.4272 4.32707 1.49491 2.28536 -3.09749 TIMING: 1730200 CPU: 5016.77, 0.00287498/step Wall: 5016.77, 0.00287498/step, 2.61128 hours remaining, 207.589844 MB of memory in use. ENERGY: 1730200 720.9070 2040.7650 1976.2976 113.8000 -206167.8158 17482.7877 0.0000 0.0000 34366.8563 -149466.4022 300.1343 -183833.2585 -149369.8637 298.8002 -269.7082 -234.2737 556834.0080 3.8419 3.8295 PRESSURE: 1730400 -43.4554 -107.582 -44.5398 -107.58 -52.762 40.6305 -44.5407 40.6298 -115.056 GPRESSURE: 1730400 5.08806 -101.592 -5.4827 -128.679 -19.6493 2.0166 8.79811 58.2532 -108.706 PRESSAVG: 1730400 55.5582 20.4124 16.9509 20.4124 -50.8006 -21.7402 16.9508 -21.7401 14.7139 GPRESSAVG: 1730400 56.7808 21.2532 17.1227 19.2687 -52.0734 -22.9158 18.2646 -19.7516 14.892 TIMING: 1730400 CPU: 5017.34, 0.0028733/step Wall: 5017.34, 0.0028733/step, 2.60959 hours remaining, 207.589844 MB of memory in use. ENERGY: 1730400 751.9870 2089.8275 1960.7907 120.8292 -206187.2019 17812.7155 0.0000 0.0000 34074.0902 -149376.9617 297.5775 -183451.0519 -149276.7525 299.0162 -70.4245 -41.0892 556645.5788 6.4905 6.5331 PRESSURE: 1730600 -155.546 94.1924 -118.659 94.1914 -108.596 -142.138 -118.659 -142.138 -20.337 GPRESSURE: 1730600 -198.842 65.4349 -57.0178 -0.0665761 10.171 -124.404 -111.492 -159.92 9.63168 PRESSAVG: 1730600 -43.5649 -20.4992 44.3601 -20.4993 41.5952 27.6447 44.3601 27.6447 -4.7042 GPRESSAVG: 1730600 -43.3669 -21.6547 45.2068 -18.9776 41.9446 29.4354 42.1717 26.1331 -5.06875 TIMING: 1730600 CPU: 5017.91, 0.00287049/step Wall: 5017.91, 0.00287049/step, 2.60688 hours remaining, 207.589844 MB of memory in use. ENERGY: 1730600 765.3882 2072.0066 1986.8183 117.4399 -206264.5431 17696.6254 0.0000 0.0000 34123.5790 -149502.6857 298.0097 -183626.2647 -149406.8512 298.6295 -94.8265 -59.6799 558324.3890 -2.2246 -2.1637 PRESSURE: 1730800 -38.7458 -23.9687 55.4893 -23.9674 -72.9089 49.4782 55.4893 49.4792 138.084 GPRESSURE: 1730800 -44.3219 -136.379 -45.8028 101.525 -47.3406 73.1119 79.101 71.0412 223.348 PRESSAVG: 1730800 -61.2419 -11.8269 -13.6015 -11.8269 -24.2769 46.6536 -13.6016 46.6536 57.3531 GPRESSAVG: 1730800 -61.3221 -13.0328 -13.5182 -11.0109 -24.6033 46.0369 -14.9532 46.5791 57.7032 TIMING: 1730800 CPU: 5018.49, 0.00287691/step Wall: 5018.49, 0.00287691/step, 2.61255 hours remaining, 207.589844 MB of memory in use. ENERGY: 1730800 768.0682 2120.2652 1979.6722 111.5239 -206362.5031 17851.0550 0.0000 0.0000 34026.2301 -149505.6885 297.1595 -183531.9185 -149412.8242 298.3059 8.8098 43.8951 557551.0846 -9.3886 -9.4074 PRESSURE: 1731000 58.291 141.171 -48.2891 141.17 -63.4185 -125.097 -48.2887 -125.096 242.856 GPRESSURE: 1731000 152.482 158.263 103.957 127.449 -49.3866 -67.0469 -159.84 -23.9824 227.568 PRESSAVG: 1731000 15.124 -18.5644 -39.471 -18.5645 -44.1547 -9.20756 -39.471 -9.20763 30.3099 GPRESSAVG: 1731000 16.0594 -17.0874 -39.9903 -21.1287 -44.5795 -10.8397 -37.2943 -8.37346 29.9351 TIMING: 1731000 CPU: 5019.06, 0.00285877/step Wall: 5019.06, 0.00285877/step, 2.59592 hours remaining, 207.589844 MB of memory in use. ENERGY: 1731000 749.7223 2064.1803 1993.1567 118.1123 -206568.8067 18056.8119 0.0000 0.0000 34071.1566 -149515.6665 297.5519 -183586.8232 -149419.2688 298.2032 79.2429 110.2209 556950.3829 0.4264 0.4717 PRESSURE: 1731200 -25.4447 -14.6946 -65.4738 -14.695 -80.6514 -48.1567 -65.4735 -48.1549 -94.0795 GPRESSURE: 1731200 19.9172 -8.00884 -115.058 -12.3177 -59.6233 -22.9716 -34.5484 -18.3262 -68.1461 PRESSAVG: 1731200 -21.952 31.0784 -51.0028 31.0784 -26.1348 -47.9831 -51.0028 -47.9829 49.5889 GPRESSAVG: 1731200 -21.4003 29.5603 -50.8574 33.6925 -25.9607 -45.2739 -50.9096 -48.4392 49.464 TIMING: 1731200 CPU: 5019.64, 0.00287774/step Wall: 5019.64, 0.00287774/step, 2.61299 hours remaining, 207.589844 MB of memory in use. ENERGY: 1731200 770.3094 2108.8995 1971.1942 126.7744 -206531.1254 17934.9029 0.0000 0.0000 34129.2784 -149489.7666 298.0595 -183619.0450 -149398.2471 298.2490 -66.7252 -35.9507 558955.3134 0.5007 0.7010 PRESSURE: 1731400 85.2965 85.694 -67.0167 85.6931 7.08318 -114.974 -67.0165 -114.973 194.085 GPRESSURE: 1731400 123.022 120.371 6.1183 75.537 97.7411 -117.798 -56.8632 -73.2078 162.21 PRESSAVG: 1731400 -36.5833 7.26654 -20.2138 7.26643 13.6787 -3.91624 -20.2137 -3.91626 -4.06783 GPRESSAVG: 1731400 -37.0701 8.23869 -21.1191 6.24118 12.5879 -5.2825 -20.7714 -3.08752 -2.36519 TIMING: 1731400 CPU: 5020.21, 0.00286435/step Wall: 5020.21, 0.00286435/step, 2.60067 hours remaining, 207.589844 MB of memory in use. ENERGY: 1731400 695.9293 2060.0801 1968.4174 108.0004 -206183.9906 17795.2215 0.0000 0.0000 34182.0426 -149374.2993 298.5203 -183556.3419 -149275.5566 297.7497 95.4881 127.6576 557929.7885 -8.9908 -8.9491 PRESSURE: 1731600 -7.9841 11.1345 70.1486 11.1365 -34.4844 -83.7788 70.1483 -83.7788 68.2457 GPRESSURE: 1731600 60.491 20.6184 143.279 75.5938 42.4973 -9.34803 84.8709 -36.556 20.4043 PRESSAVG: 1731600 -37.2887 17.2282 -45.1881 17.2282 -9.895 -16.7124 -45.1882 -16.7124 45.712 GPRESSAVG: 1731600 -37.6472 18.1421 -43.0756 17.631 -9.70648 -16.8897 -44.0485 -15.8668 45.6351 TIMING: 1731600 CPU: 5020.78, 0.00286809/step Wall: 5020.78, 0.00286809/step, 2.60391 hours remaining, 207.589844 MB of memory in use. ENERGY: 1731600 768.6049 2112.1981 1970.8330 121.0190 -206436.5673 17888.1597 0.0000 0.0000 34155.7450 -149420.0076 298.2906 -183575.7526 -149329.3996 298.7816 8.5924 41.1309 557206.4437 -0.4906 -0.5729 PRESSURE: 1731800 -35.8476 -96.7818 15.807 -96.7821 60.4427 37.9464 15.8069 37.9459 36.1373 GPRESSURE: 1731800 7.07589 -111.045 -5.04111 -44.5355 67.0239 -36.9313 74.4916 48.8385 91.9838 PRESSAVG: 1731800 12.3388 16.6324 -27.1705 16.6323 -18.1369 -2.24233 -27.1705 -2.24239 6.57233 GPRESSAVG: 1731800 11.608 16.0129 -27.7587 16.2622 -17.4545 -2.23906 -27.7085 -2.30003 6.93938 TIMING: 1731800 CPU: 5021.36, 0.00286256/step Wall: 5021.36, 0.00286256/step, 2.59872 hours remaining, 207.589844 MB of memory in use. ENERGY: 1731800 750.4221 2123.1227 1959.0076 117.9813 -206364.9170 17937.1934 0.0000 0.0000 33929.3470 -149547.8428 296.3134 -183477.1898 -149450.1078 298.4943 20.2441 55.3612 558218.1708 0.2581 0.3643 PRESSURE: 1732000 254.494 70.883 86.0638 70.8831 -50.2742 66.3232 86.0632 66.3237 -86.287 GPRESSURE: 1732000 300.602 115.238 179.631 6.31452 29.8705 3.16546 99.7481 121.87 -114.643 PRESSAVG: 1732000 72.0436 7.29761 -67.8763 7.29761 -60.8244 -13.3291 -67.8764 -13.329 -29.4898 GPRESSAVG: 1732000 72.256 9.71602 -67.2038 8.02291 -60.2523 -14.7319 -67.6118 -15.5998 -30.4264 TIMING: 1732000 CPU: 5021.93, 0.00288437/step Wall: 5021.93, 0.00288437/step, 2.61836 hours remaining, 207.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1732000 719.8903 2060.6469 1965.9712 108.1170 -206705.6161 17951.3924 0.0000 0.0000 34237.5529 -149662.0454 299.0051 -183899.5983 -149564.8729 298.0362 39.3109 71.9432 556733.3060 -6.0902 -6.1409 PRESSURE: 1732200 -265.473 19.5412 -55.2395 19.5431 -109.977 -19.1321 -55.2383 -19.1326 -52.1004 GPRESSURE: 1732200 -219.072 -48.3677 -90.0461 49.1967 -58.3506 12.0265 -7.84771 -45.845 -53.3511 PRESSAVG: 1732200 4.48266 1.89799 4.45737 1.89796 0.451654 15.3893 4.45748 15.3893 2.85493 GPRESSAVG: 1732200 4.56575 -0.560053 3.90326 1.87387 0.447066 15.0566 2.85295 18.0248 2.62255 TIMING: 1732200 CPU: 5022.51, 0.00288331/step Wall: 5022.51, 0.00288331/step, 2.61724 hours remaining, 207.589844 MB of memory in use. ENERGY: 1732200 743.4920 2008.8836 1976.0348 130.9165 -206544.4096 17786.1877 0.0000 0.0000 34183.4817 -149715.4132 298.5328 -183898.8949 -149617.9290 297.4652 -142.5170 -110.2578 558006.0520 2.5964 2.5451 LDB: ============= START OF LOAD BALANCING ============== 5025.9 LDB: ============== END OF LOAD BALANCING =============== 5025.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5025.9 LDB: ============= START OF LOAD BALANCING ============== 5026.19 LDB: Largest compute 4820 load 0.025588 is 21.7% of average load 0.117935 LDB: Average compute 0.001724 is 1.5% of average load 0.117935 LDB: TIME 5026.19 LOAD: AVG 0.117935 MAX 0.180805 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 5026.19 LOAD: AVG 0.117935 MAX 0.180805 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: TIME 5026.19 LOAD: AVG 0.117935 MAX 0.180805 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: ============== END OF LOAD BALANCING =============== 5026.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5026.2 PRESSURE: 1732400 -44.1572 201.06 -19.6927 201.058 39.6281 -64.7059 -19.6941 -64.7054 138.52 GPRESSURE: 1732400 24.7796 200.543 -2.34466 241.065 26.5441 -121.165 -9.33848 -22.442 180.926 PRESSAVG: 1732400 8.14897 22.6956 -38.407 22.6956 7.62519 10.8314 -38.4071 10.8314 4.27467 GPRESSAVG: 1732400 8.19448 22.3087 -40.1932 23.1634 8.41833 10.4498 -37.4713 10.7614 3.42784 TIMING: 1732400 CPU: 5023.1, 0.00295038/step Wall: 5023.1, 0.00295038/step, 2.67796 hours remaining, 208.468750 MB of memory in use. ENERGY: 1732400 736.6927 2099.3772 1966.2863 110.9736 -206466.6978 17923.2245 0.0000 0.0000 34070.8976 -149559.2459 297.5496 -183630.1434 -149456.5285 297.8976 44.6637 77.4165 556803.8929 6.6829 6.6802 PRESSURE: 1732600 -27.8291 -115.425 102.195 -115.425 86.2596 103.079 102.194 103.078 -92.3487 GPRESSURE: 1732600 -13.9071 -120.534 123.317 -33.5739 156.226 96.155 76.1875 102.663 -92.6053 PRESSAVG: 1732600 21.6085 11.1276 8.18858 11.1276 -24.4166 48.2163 8.18859 48.2163 -1.56729 GPRESSAVG: 1732600 21.6315 11.4108 9.42027 9.4721 -24.9446 48.2807 8.12981 47.6655 -1.09246 TIMING: 1732600 CPU: 5023.67, 0.00287223/step Wall: 5023.67, 0.00287223/step, 2.60687 hours remaining, 208.468750 MB of memory in use. ENERGY: 1732600 748.9725 2078.6144 1949.3497 114.8593 -206786.0235 17886.3222 0.0000 0.0000 34335.6100 -149672.2954 299.8614 -184007.9054 -149567.8618 297.8924 -11.3061 16.5712 556888.3853 -1.4584 -1.4685 PRESSURE: 1732800 -213.07 22.7951 67.074 22.7956 -147.126 7.88804 67.0737 7.88615 -309.507 GPRESSURE: 1732800 -139.32 12.6433 76.365 -11.6802 -119.364 -36.0766 31.0308 20.2265 -292.494 PRESSAVG: 1732800 51.6099 58.2416 -9.32367 58.2416 -52.4903 40.1853 -9.32369 40.1852 -20.3039 GPRESSAVG: 1732800 51.5534 58.6061 -8.82421 59.0817 -52.6333 43.9962 -9.31362 38.2824 -19.5314 TIMING: 1732800 CPU: 5024.25, 0.00286974/step Wall: 5024.25, 0.00286974/step, 2.60444 hours remaining, 208.468750 MB of memory in use. ENERGY: 1732800 751.7863 2100.2617 1959.1397 102.6185 -206075.8129 17611.8862 0.0000 0.0000 34125.9813 -149424.1391 298.0307 -183550.1204 -149329.5781 298.0785 -223.2348 -183.7259 557199.6487 -7.0614 -6.8705 PRESSURE: 1733000 179.102 172.426 77.9122 172.426 188.984 -2.06601 77.9131 -2.06665 2.54281 GPRESSURE: 1733000 181.794 201.237 52.0152 181.669 250.755 27.1944 54.3695 -9.92189 28.2382 PRESSAVG: 1733000 20.4359 6.68884 46.6494 6.68877 31.4828 104.555 46.6493 104.555 -53.0827 GPRESSAVG: 1733000 19.9155 7.26645 45.4902 6.32156 32.2215 102.857 47.6007 104.037 -53.2098 TIMING: 1733000 CPU: 5024.82, 0.0028649/step Wall: 5024.82, 0.0028649/step, 2.59989 hours remaining, 208.468750 MB of memory in use. ENERGY: 1733000 727.8555 2043.6723 1980.1965 125.2328 -206409.8511 17976.2675 0.0000 0.0000 34077.8949 -149478.7315 297.6107 -183556.6265 -149376.3806 298.0364 123.5430 153.5956 558028.4319 -0.3880 -0.3576 PRESSURE: 1733200 167.77 21.6598 60.5421 21.6599 -148.512 36.4486 60.5425 36.4491 225.97 GPRESSURE: 1733200 228.952 20.8252 102.188 -12.7609 -92.3055 40.9502 100.454 6.36935 217.418 PRESSAVG: 1733200 -20.5845 -5.8904 19.0498 -5.89035 32.6602 3.57542 19.0497 3.57555 12.4304 GPRESSAVG: 1733200 -20.6355 -5.1011 19.1425 -4.88443 33.4178 3.28216 19.8444 4.50098 11.7739 TIMING: 1733200 CPU: 5025.4, 0.00287543/step Wall: 5025.4, 0.00287542/step, 2.60929 hours remaining, 208.468750 MB of memory in use. ENERGY: 1733200 736.4742 2048.2495 1955.7087 112.8945 -206509.6786 17998.0004 0.0000 0.0000 34229.5329 -149428.8184 298.9350 -183658.3514 -149328.1573 299.1471 81.7425 118.0214 557641.1264 8.1687 8.1854 PRESSURE: 1733400 225.875 60.4646 64.4075 60.4638 92.0114 104.707 64.408 104.706 70.7731 GPRESSURE: 1733400 329.221 104.517 179.918 52.7602 114.879 38.8115 83.9323 25.4827 53.2483 PRESSAVG: 1733400 -4.20157 10.0724 -16.5748 10.0724 -57.0711 72.9283 -16.5747 72.9284 56.1265 GPRESSAVG: 1733400 -4.2281 10.1861 -16.659 9.72101 -57.2742 73.1807 -16.2552 71.5082 56.4883 TIMING: 1733400 CPU: 5025.97, 0.00287134/step Wall: 5025.97, 0.00287134/step, 2.60542 hours remaining, 208.468750 MB of memory in use. ENERGY: 1733400 769.4050 2064.5539 1996.9222 122.1789 -206375.0378 18039.8806 0.0000 0.0000 33999.6839 -149382.4133 296.9277 -183382.0972 -149288.3709 298.5189 129.5532 165.7827 556059.2487 -1.7154 -1.6713 PRESSURE: 1733600 -14.5449 16.4858 28.1094 16.485 303.887 -50.447 28.1105 -50.4452 137.915 GPRESSURE: 1733600 -9.23398 74.4596 40.7564 -74.6579 315.526 11.0181 21.0169 -132.123 205.946 PRESSAVG: 1733600 -36.3401 10.8354 -6.8755 10.8353 -29.4141 45.8858 -6.87553 45.8857 85.1111 GPRESSAVG: 1733600 -36.2509 8.59004 -5.84999 11.9104 -29.2706 46.2759 -8.81541 47.5986 84.7205 TIMING: 1733600 CPU: 5026.55, 0.00287494/step Wall: 5026.55, 0.00287494/step, 2.60853 hours remaining, 208.468750 MB of memory in use. ENERGY: 1733600 771.4957 2122.3330 1941.3980 118.6672 -206525.9133 17925.4314 0.0000 0.0000 34224.7233 -149421.8647 298.8930 -183646.5880 -149321.6815 299.0205 142.4191 170.7460 556470.1588 6.4523 6.3997 PRESSURE: 1733800 -105.814 36.8037 8.3107 36.804 173.737 -44.5986 8.31157 -44.598 -11.9329 GPRESSURE: 1733800 -47.4283 13.4773 25.4769 26.2027 150.057 -118.884 80.5071 -11.1226 47.0344 PRESSAVG: 1733800 -6.51256 -3.57333 39.3735 -3.57341 117.672 8.97475 39.3734 8.97457 -61.7504 GPRESSAVG: 1733800 -5.3387 -1.69371 39.8139 -6.36439 116.631 8.5044 40.9585 9.33938 -61.9798 TIMING: 1733800 CPU: 5027.12, 0.00286298/step Wall: 5027.12, 0.00286298/step, 2.59752 hours remaining, 208.468750 MB of memory in use. ENERGY: 1733800 743.9575 2138.1300 1984.7294 117.3342 -206464.0561 17724.8096 0.0000 0.0000 34295.9590 -149459.1365 299.5151 -183755.0955 -149367.8362 299.0703 18.6632 49.8878 556103.1152 16.4696 16.4376 PRESSURE: 1734000 -70.2613 -56.21 26.567 -56.211 309.01 48.8376 26.5665 48.8377 -110.419 GPRESSURE: 1734000 -47.9795 -68.6998 -67.9228 -13.9756 341.523 71.2694 14.5884 5.66275 -67.499 PRESSAVG: 1734000 -59.1518 -32.6187 34.137 -32.6187 39.8147 21.4637 34.1369 21.4637 -33.0625 GPRESSAVG: 1734000 -60.2605 -32.6577 32.5507 -29.8056 40.2369 19.6774 32.7374 21.282 -32.2638 TIMING: 1734000 CPU: 5027.69, 0.00285622/step Wall: 5027.69, 0.00285622/step, 2.59123 hours remaining, 208.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1734000 755.1078 2150.5995 1973.1497 109.7756 -206249.9430 17864.3621 0.0000 0.0000 34077.7530 -149319.1952 297.6095 -183396.9483 -149221.4122 299.2502 42.7766 75.3482 557176.2207 -17.4665 -17.4291 PRESSURE: 1734200 -241.157 -69.5379 54.2459 -69.538 5.62099 54.7435 54.2466 54.7415 -445.043 GPRESSURE: 1734200 -201.626 -98.3902 43.088 9.13538 -24.1924 -8.68348 67.5479 132.274 -359.185 PRESSAVG: 1734200 -2.50648 24.4294 16.1046 24.4294 32.0294 -6.04525 16.1045 -6.04515 -26.4705 GPRESSAVG: 1734200 -1.18051 26.1507 17.4934 21.76 31.1838 -3.54114 15.9261 -8.89743 -26.9997 TIMING: 1734200 CPU: 5028.27, 0.00288565/step Wall: 5028.27, 0.00288565/step, 2.61776 hours remaining, 208.468750 MB of memory in use. ENERGY: 1734200 771.5418 2042.7595 1977.9331 113.6964 -205933.4668 17597.5432 0.0000 0.0000 34081.5957 -149348.3969 297.6431 -183429.9927 -149247.6690 299.5796 -226.8596 -195.0012 557195.1978 1.0175 1.0012 PRESSURE: 1734400 -229.309 44.3944 55.7303 44.3938 16.0472 -73.6623 55.7305 -73.6651 -395.126 GPRESSURE: 1734400 -158.871 143.614 84.3874 32.1206 48.3169 -16.4116 71.6683 -64.3765 -396.767 PRESSAVG: 1734400 27.9189 13.3188 -2.82313 13.3188 15.218 37.8841 -2.82305 37.8841 -40.2928 GPRESSAVG: 1734400 26.6177 10.8039 -2.45837 13.4273 16.4821 37.5106 -2.40551 39.1654 -40.4317 TIMING: 1734400 CPU: 5028.84, 0.00288327/step Wall: 5028.84, 0.00288327/step, 2.61545 hours remaining, 208.468750 MB of memory in use. ENERGY: 1734400 764.3112 2149.9635 1973.0943 110.2780 -206346.9377 17627.7008 0.0000 0.0000 34417.6507 -149303.9391 300.5779 -183721.5898 -149211.2907 299.9258 -202.7957 -169.1071 557967.0274 0.9480 0.8894 PRESSURE: 1734600 98.8535 88.7586 -5.46967 88.7596 162.789 143.58 -5.46938 143.58 -86.2526 GPRESSURE: 1734600 130.49 161.398 -84.2366 106.822 215.688 144.233 22.4131 216.973 -89.2018 PRESSAVG: 1734600 -27.513 27.0991 6.79436 27.0991 48.6809 -6.33213 6.79434 -6.33215 4.29665 GPRESSAVG: 1734600 -26.2957 28.2865 4.19347 27.3837 47.6571 -5.46945 6.07205 -6.81186 4.39292 TIMING: 1734600 CPU: 5029.42, 0.00286415/step Wall: 5029.42, 0.00286415/step, 2.59794 hours remaining, 208.468750 MB of memory in use. ENERGY: 1734600 741.6605 2114.5926 1987.5236 117.8934 -206720.8682 18039.7693 0.0000 0.0000 34429.0750 -149290.3539 300.6777 -183719.4289 -149193.7866 299.6628 58.4632 85.6590 556748.6036 8.4882 8.5848 PRESSURE: 1734800 -50.9272 -74.1427 111.222 -74.1421 -53.3064 -88.1196 111.222 -88.1198 -111.132 GPRESSURE: 1734800 12.9864 -102.391 87.2443 -130.991 -77.4205 -91.7655 115.805 -69.4452 -58.75 PRESSAVG: 1734800 -16.0605 -2.84616 -33.814 -2.84608 3.66377 7.81659 -33.814 7.81653 -34.4397 GPRESSAVG: 1734800 -17.378 -4.40598 -32.6695 -1.4758 4.77977 5.63125 -33.858 8.18522 -34.4261 TIMING: 1734800 CPU: 5029.99, 0.00288461/step Wall: 5029.99, 0.00288461/step, 2.61635 hours remaining, 208.468750 MB of memory in use. ENERGY: 1734800 722.3799 2068.2559 1986.0444 131.0036 -206315.0973 17708.7615 0.0000 0.0000 34258.3346 -149440.3174 299.1866 -183698.6520 -149341.9395 299.0425 -71.7885 -41.0614 558490.0811 -15.6121 -15.6748 PRESSURE: 1735000 -103.984 7.25976 51.4249 7.25973 165.928 -218.628 51.4253 -218.627 47.7403 GPRESSURE: 1735000 5.27065 -46.677 139.78 79.1308 168.058 -162.312 -16.8443 -203.373 47.4483 PRESSAVG: 1735000 -3.0074 -24.7702 19.4072 -24.7702 49.2919 21.8174 19.4071 21.8172 -27.7044 GPRESSAVG: 1735000 -1.66154 -24.0759 20.2505 -26.0793 48.277 23.756 20.1941 22.2924 -27.3432 TIMING: 1735000 CPU: 5030.57, 0.00288092/step Wall: 5030.57, 0.00288092/step, 2.61283 hours remaining, 208.468750 MB of memory in use. ENERGY: 1735000 785.4662 2068.7993 1985.8036 115.0070 -206795.4374 18145.0201 0.0000 0.0000 34285.2617 -149410.0795 299.4217 -183695.3412 -149321.1636 298.4287 36.5616 73.5923 558101.9487 6.1934 6.4241 PRESSURE: 1735200 424.032 -100.738 -40.6319 -100.739 204.067 -44.2444 -40.6309 -44.244 6.73517 GPRESSURE: 1735200 450.221 -48.4754 -21.7318 -89.2635 199.753 -117.949 -0.474433 -78.9451 83.5875 PRESSAVG: 1735200 36.8039 0.0682404 45.1567 0.068241 -15.3591 -2.62419 45.1567 -2.62418 -18.0167 GPRESSAVG: 1735200 35.6131 -1.56514 44.2285 -0.157248 -14.6855 -3.12829 45.6224 -2.17476 -18.1345 TIMING: 1735200 CPU: 5031.15, 0.00288515/step Wall: 5031.15, 0.00288515/step, 2.61651 hours remaining, 208.468750 MB of memory in use. ENERGY: 1735200 742.6689 2098.2333 2001.0442 127.9589 -207174.2243 18341.9363 0.0000 0.0000 34352.1426 -149510.2402 300.0058 -183862.3827 -149417.2915 298.3719 211.6113 244.5206 557522.7852 1.1427 0.9310 PRESSURE: 1735400 -349.549 83.782 127.494 83.7814 -100.851 -88.9473 127.494 -88.9461 -263.747 GPRESSURE: 1735400 -221.168 67.3622 165.784 105.823 -118.181 -32.3839 112.686 -99.9387 -272.471 PRESSAVG: 1735400 79.7531 0.88606 -1.87599 0.886067 -66.6572 -1.35363 -1.87597 -1.35355 38.2861 GPRESSAVG: 1735400 79.7775 3.40724 -2.51061 1.72709 -67.2179 0.211795 -2.27938 -2.81065 38.3523 TIMING: 1735400 CPU: 5031.72, 0.00286846/step Wall: 5031.72, 0.00286846/step, 2.60121 hours remaining, 208.468750 MB of memory in use. ENERGY: 1735400 733.6426 2100.2271 1993.2688 116.6385 -205933.3348 17574.1650 0.0000 0.0000 34189.6980 -149225.6948 298.5871 -183415.3928 -149130.5025 299.4798 -238.0491 -203.9398 559031.9135 17.1273 16.9706 PRESSURE: 1735600 144.145 -80.5246 8.99065 -80.5244 12.2136 -168.592 8.99051 -168.593 -60.5009 GPRESSURE: 1735600 144.037 -6.83101 34.4531 -104.536 47.8869 -215.819 4.98834 -148.593 6.40277 PRESSAVG: 1735600 44.796 19.9843 49.2043 19.9843 -9.728 -24.9906 49.2044 -24.9907 -40.4432 GPRESSAVG: 1735600 45.296 20.0426 48.2859 20.038 -9.68392 -27.2659 50.296 -25.6609 -40.6263 TIMING: 1735600 CPU: 5032.3, 0.00288302/step Wall: 5032.3, 0.00288302/step, 2.61426 hours remaining, 208.468750 MB of memory in use. ENERGY: 1735600 754.9675 2048.0058 1971.0929 108.5522 -206266.1500 17974.7600 0.0000 0.0000 34256.5984 -149152.1732 299.1714 -183408.7716 -149052.3990 298.9916 31.9527 66.1089 558540.5908 -1.7917 -1.6714 PRESSURE: 1735800 133.517 -39.0821 223.994 -39.0824 219.273 -106.93 223.993 -106.931 -160.406 GPRESSURE: 1735800 164.545 -78.6747 175.636 -29.3438 261.914 -84.0652 202.356 -106.972 -135.801 PRESSAVG: 1735800 11.7524 -36.9049 49.6815 -36.9048 14.4049 -19.4109 49.6815 -19.4109 -47.1252 GPRESSAVG: 1735800 10.7324 -38.0809 51.1171 -35.8625 14.6604 -20.3123 49.2886 -18.6591 -46.6843 TIMING: 1735800 CPU: 5032.88, 0.00289625/step Wall: 5032.88, 0.00289625/step, 2.62609 hours remaining, 208.468750 MB of memory in use. ENERGY: 1735800 735.3070 2043.4195 1996.5748 111.8586 -206506.9697 17935.1330 0.0000 0.0000 34316.6194 -149368.0574 299.6956 -183684.6769 -149279.5100 298.7675 64.1279 96.8861 555714.9667 -6.9893 -7.0971 PRESSURE: 1736000 50.2593 -26.035 -5.30446 -26.0366 -45.7356 -247.707 -5.30521 -247.707 -282.388 GPRESSURE: 1736000 104.228 62.9881 32.9306 -53.3798 -12.6568 -165.811 -20.3979 -250.958 -261.291 PRESSAVG: 1736000 -26.1922 18.3158 29.6423 18.3157 46.3864 -42.1877 29.6422 -42.1878 16.2691 GPRESSAVG: 1736000 -24.384 20.4491 29.6953 16.5781 46.868 -38.9043 29.5866 -42.7515 14.644 TIMING: 1736000 CPU: 5033.45, 0.00288857/step Wall: 5033.45, 0.00288857/step, 2.61897 hours remaining, 208.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1736000 733.6727 2081.7373 1989.0327 98.8245 -206208.1522 17661.8325 0.0000 0.0000 34325.2011 -149317.8513 299.7705 -183643.0524 -149221.2002 299.1935 -92.6214 -56.5730 556401.0089 12.1544 12.3760 PRESSURE: 1736200 37.2792 -14.9359 17.9246 -14.9356 75.0288 32.9548 17.9241 32.9536 262.886 GPRESSURE: 1736200 96.3735 -31.136 35.1653 31.5474 140.188 -10.0763 110.038 145.397 245.185 PRESSAVG: 1736200 39.978 7.89957 -15.3225 7.89955 -33.6563 23.7666 -15.3225 23.7666 3.50432 GPRESSAVG: 1736200 40.3714 5.5489 -15.5092 8.34656 -34.8456 21.738 -17.1753 26.4644 4.14963 TIMING: 1736200 CPU: 5034.03, 0.00288589/step Wall: 5034.03, 0.00288589/step, 2.61638 hours remaining, 208.468750 MB of memory in use. ENERGY: 1736200 739.9019 2102.4538 1957.1685 136.5112 -206683.5653 18062.1233 0.0000 0.0000 34273.8103 -149411.5964 299.3217 -183685.4067 -149308.2399 299.0766 125.0645 160.5824 555642.5040 3.2753 3.2251 LDB: ============= START OF LOAD BALANCING ============== 5037.41 LDB: ============== END OF LOAD BALANCING =============== 5037.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5037.42 LDB: ============= START OF LOAD BALANCING ============== 5037.71 LDB: Largest compute 4820 load 0.025740 is 21.8% of average load 0.117954 LDB: Average compute 0.001736 is 1.5% of average load 0.117954 LDB: TIME 5037.71 LOAD: AVG 0.117954 MAX 0.179351 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.645 MB LDB: TIME 5037.71 LOAD: AVG 0.117954 MAX 0.179351 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: TIME 5037.71 LOAD: AVG 0.117954 MAX 0.179351 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5037.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5037.72 PRESSURE: 1736400 135.412 -84.1414 42.0748 -84.1417 44.8911 -98.9586 42.0765 -98.9576 75.4971 GPRESSURE: 1736400 222.242 -110.17 19.9659 3.32352 74.7277 -123.778 95.2094 -77.4627 65.532 PRESSAVG: 1736400 -11.837 -5.86022 -9.27178 -5.86032 -3.37165 -22.499 -9.27172 -22.499 -14.4218 GPRESSAVG: 1736400 -12.5358 -5.42931 -11.2714 -4.57805 -3.01165 -23.0354 -8.17113 -21.8339 -13.6707 TIMING: 1736400 CPU: 5034.62, 0.00295081/step Wall: 5034.62, 0.00295081/step, 2.67508 hours remaining, 208.871094 MB of memory in use. ENERGY: 1736400 777.9609 2078.5345 1974.3245 123.9238 -206570.0060 17923.0182 0.0000 0.0000 34303.1371 -149389.1070 299.5778 -183692.2442 -149288.7759 299.2673 85.2668 120.8339 555385.8013 -9.8768 -9.7394 PRESSURE: 1736600 121.792 -147.071 -27.6153 -147.072 -306.311 23.6933 -27.6147 23.6922 -276.821 GPRESSURE: 1736600 141.774 -174.347 19.1865 -108.045 -311.718 -65.5217 -114.878 67.0594 -209.318 PRESSAVG: 1736600 36.5043 71.6981 -16.0047 71.698 7.64803 -26.0923 -16.0046 -26.0924 -25.1551 GPRESSAVG: 1736600 37.28 70.4658 -14.0336 71.6298 8.12506 -25.8652 -17.1234 -27.4224 -27.0114 TIMING: 1736600 CPU: 5035.2, 0.00289319/step Wall: 5035.2, 0.00289319/step, 2.62268 hours remaining, 209.070312 MB of memory in use. ENERGY: 1736600 755.5338 2071.4805 1957.1388 119.2041 -206045.3171 17739.2828 0.0000 0.0000 34052.7339 -149349.9432 297.3910 -183402.6771 -149249.4282 298.8647 -153.7799 -126.4207 557465.1111 6.3324 6.1312 PRESSURE: 1736800 103.581 -140.347 93.8469 -140.347 92.092 37.7822 93.8476 37.7825 -32.1949 GPRESSURE: 1736800 83.8081 -247.321 36.5013 -170.916 177.66 41.0157 122.793 12.9503 -5.8945 PRESSAVG: 1736800 -16.9463 -26.2623 -27.8339 -26.2622 29.6102 25.6165 -27.8339 25.6165 -29.2241 GPRESSAVG: 1736800 -17.7572 -26.6232 -30.6174 -27.9318 29.1865 25.3707 -25.904 27.1681 -28.2522 TIMING: 1736800 CPU: 5035.78, 0.0028904/step Wall: 5035.78, 0.0028904/step, 2.61999 hours remaining, 209.070312 MB of memory in use. ENERGY: 1736800 751.8515 2119.4808 1966.0482 100.1668 -206388.9959 17817.6136 0.0000 0.0000 34355.8516 -149277.9833 300.0382 -183633.8349 -149182.5824 298.9022 54.4928 85.1911 555631.8384 -5.5201 -5.6076 PRESSURE: 1737000 -106.669 36.1065 60.7978 36.1065 -182.28 -71.7428 60.7969 -71.7412 9.43413 GPRESSURE: 1737000 -48.6497 22.5259 40.2232 68.1664 -147.911 -51.4188 76.0066 -99.5794 21.3015 PRESSAVG: 1737000 30.9133 -6.13108 -13.3999 -6.13116 33.618 18.0526 -13.3999 18.0527 18.8548 GPRESSAVG: 1737000 31.1276 -5.44186 -11.7594 -5.1616 33.4578 19.0049 -13.2023 17.9049 19.186 TIMING: 1737000 CPU: 5036.36, 0.00289021/step Wall: 5036.36, 0.00289021/step, 2.61965 hours remaining, 209.070312 MB of memory in use. ENERGY: 1737000 762.4464 2037.3823 1957.8324 118.6347 -206129.1592 17610.4065 0.0000 0.0000 34349.6029 -149292.8540 299.9836 -183642.4569 -149191.1490 299.3155 -93.1716 -58.4196 556061.4216 27.7954 27.9238 PRESSURE: 1737200 -195.322 -129.449 62.5824 -129.45 -7.19324 -196.928 62.5826 -196.928 -217.561 GPRESSURE: 1737200 -136.064 -152.433 29.3129 -134.795 57.5601 -155.317 131.133 -165.081 -244.138 PRESSAVG: 1737200 -31.2905 38.6196 7.36531 38.6197 29.1457 -48.8791 7.36521 -48.879 -47.3884 GPRESSAVG: 1737200 -32.002 40.241 9.44045 37.1143 28.5042 -47.966 6.14983 -50.3861 -45.9271 TIMING: 1737200 CPU: 5036.93, 0.0028835/step Wall: 5036.93, 0.0028835/step, 2.61341 hours remaining, 209.070312 MB of memory in use. ENERGY: 1737200 765.8654 2079.1120 1987.5621 120.4609 -206095.3386 17640.4462 0.0000 0.0000 34049.0829 -149452.8092 297.3591 -183501.8921 -149356.3409 298.4794 -140.0254 -107.5472 556756.8795 -16.5111 -16.4749 PRESSURE: 1737400 -39.206 -51.7892 33.5998 -51.7891 -178.985 -66.144 33.5993 -66.144 192.495 GPRESSURE: 1737400 -0.246554 60.3933 -7.60993 -107.998 -102.718 -130.357 -0.261572 15.5583 176.553 PRESSAVG: 1737400 -30.2508 -56.7247 -23.7184 -56.7248 -41.4911 -26.4839 -23.7184 -26.4838 92.2834 GPRESSAVG: 1737400 -29.7147 -55.7295 -24.851 -57.5461 -41.6573 -28.8205 -23.3979 -24.5668 91.8868 TIMING: 1737400 CPU: 5037.51, 0.00287326/step Wall: 5037.51, 0.00287326/step, 2.60398 hours remaining, 209.070312 MB of memory in use. ENERGY: 1737400 770.0703 2096.0725 1956.5217 114.9307 -206352.2609 17783.3528 0.0000 0.0000 34267.3128 -149364.0002 299.2650 -183631.3129 -149268.9733 298.9953 -8.5653 24.5295 556951.9621 6.8472 6.8383 PRESSURE: 1737600 -22.3547 -41.2736 -12.6431 -41.2738 -44.5502 136.975 -12.6425 136.977 -200.843 GPRESSURE: 1737600 42.1436 -106.291 -69.3879 32.2755 -32.1616 102.413 4.97936 135.52 -173.805 PRESSAVG: 1737600 31.9683 10.9759 -51.8044 10.9759 -4.23556 2.42993 -51.8044 2.43011 -0.450766 GPRESSAVG: 1737600 32.2879 8.32595 -52.63 13.104 -3.84164 4.82989 -52.6511 -0.98406 -1.01155 TIMING: 1737600 CPU: 5038.08, 0.00288036/step Wall: 5038.08, 0.00288036/step, 2.61025 hours remaining, 209.070312 MB of memory in use. ENERGY: 1737600 791.0384 2045.7602 1988.9439 126.2727 -206455.4067 17813.7632 0.0000 0.0000 34309.5625 -149380.0657 299.6339 -183689.6282 -149278.2283 298.1924 -89.2492 -54.6078 555923.4422 9.0940 9.1449 PRESSURE: 1737800 -70.5554 -66.3561 -192.998 -66.3568 -225.496 -26.4716 -192.997 -26.4711 -290.414 GPRESSURE: 1737800 -58.5657 -83.1665 -272.952 -25.826 -189.521 26.6053 -110.128 -96.4387 -245.381 PRESSAVG: 1737800 13.6323 5.79862 32.0031 5.79857 -14.9893 58.2317 32.0032 58.2316 -0.403737 GPRESSAVG: 1737800 12.6157 6.92979 29.729 3.80273 -14.7752 59.1324 32.42 60.3961 -0.443916 TIMING: 1737800 CPU: 5038.66, 0.00287962/step Wall: 5038.66, 0.00287962/step, 2.60942 hours remaining, 209.070312 MB of memory in use. ENERGY: 1737800 750.2866 2119.8849 1998.1228 125.3871 -205927.8759 17537.9256 0.0000 0.0000 34125.0245 -149271.2444 298.0223 -183396.2690 -149167.3193 298.7203 -195.4886 -164.4891 557691.4488 -0.5869 -0.8678 PRESSURE: 1738000 106.574 49.2948 -92.0026 49.2957 -214.764 61.3896 -92.0025 61.3883 -93.6311 GPRESSURE: 1738000 89.3026 -48.0247 -105.724 22.5218 -154.512 -6.46426 -131.163 88.0479 -48.063 PRESSAVG: 1738000 33.6859 -79.8849 2.16906 -79.8848 3.65363 -3.14502 2.16906 -3.1451 -2.21851 GPRESSAVG: 1738000 33.4983 -80.1831 4.50127 -80.3282 3.28318 -5.28141 0.765408 -3.60064 -1.72105 TIMING: 1738000 CPU: 5039.24, 0.0028935/step Wall: 5039.24, 0.0028935/step, 2.62184 hours remaining, 209.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1738000 763.4062 2101.4001 1948.1453 112.1782 -206239.1364 17671.6329 0.0000 0.0000 34281.2302 -149361.1436 299.3865 -183642.3738 -149269.8940 299.1730 -67.2735 -37.7576 556713.9769 11.7070 11.6868 PRESSURE: 1738200 42.5339 150.02 -59.7997 150.018 -39.3252 -78.365 -59.7982 -78.3663 -93.6719 GPRESSURE: 1738200 79.1416 40.5308 -22.734 217.961 -18.7671 -111.071 -24.3201 -84.7659 -46.0307 PRESSAVG: 1738200 28.4051 -7.37605 -38.2507 -7.37604 -8.34787 -45.1455 -38.2507 -45.1456 10.9441 GPRESSAVG: 1738200 28.7599 -9.09247 -37.3808 -4.69425 -8.67359 -45.5688 -35.8369 -45.2581 9.83339 TIMING: 1738200 CPU: 5039.82, 0.00289739/step Wall: 5039.82, 0.00289739/step, 2.6252 hours remaining, 209.070312 MB of memory in use. ENERGY: 1738200 780.5460 2067.3844 1966.8342 107.9789 -206428.8337 17935.0056 0.0000 0.0000 34143.9261 -149427.1585 298.1874 -183571.0846 -149323.0128 299.1663 -30.1544 4.7813 557668.4294 10.3338 9.9732 PRESSURE: 1738400 60.1053 84.3408 -2.72919 84.3413 76.3471 48.6687 -2.72912 48.671 -93.1431 GPRESSURE: 1738400 70.9212 116.283 18.8275 78.8651 139.107 97.9264 -10.301 48.2712 -69.9369 PRESSAVG: 1738400 3.68021 23.4769 15.6755 23.4768 53.9481 27.2767 15.6756 27.2768 -50.01 GPRESSAVG: 1738400 3.7804 22.1503 15.2012 23.119 53.6152 28.7188 14.6756 26.9286 -50.035 TIMING: 1738400 CPU: 5040.4, 0.0029058/step Wall: 5040.4, 0.0029058/step, 2.63265 hours remaining, 209.070312 MB of memory in use. ENERGY: 1738400 780.6729 2121.6776 1932.8927 130.9597 -206354.1859 17886.9021 0.0000 0.0000 34112.6740 -149388.4070 297.9145 -183501.0810 -149287.8869 298.8176 14.4364 46.6972 557115.6630 2.5395 2.4535 PRESSURE: 1738600 109.49 -66.6238 167.876 -66.6233 22.5959 35.4207 167.875 35.4222 -77.0341 GPRESSURE: 1738600 98.517 -85.3946 156.151 -21.8556 49.0187 -2.96045 219.49 13.5876 4.96259 PRESSAVG: 1738600 -11.5741 -3.69535 18.8277 -3.69538 -50.1772 33.3181 18.8278 33.3182 7.87724 GPRESSAVG: 1738600 -11.6333 -2.51848 17.1496 -4.15425 -50.3199 32.7458 18.4122 35.6412 8.27569 TIMING: 1738600 CPU: 5040.98, 0.002889/step Wall: 5040.98, 0.002889/step, 2.61727 hours remaining, 209.070312 MB of memory in use. ENERGY: 1738600 721.3858 2035.8198 1952.5873 113.6990 -206354.9500 17769.5497 0.0000 0.0000 34333.9417 -149427.9666 299.8469 -183761.9084 -149330.0860 298.9888 18.3505 50.8328 556578.5620 -17.9580 -17.8925 PRESSURE: 1738800 27.3179 -44.52 40.7435 -44.5186 -115.383 50.4985 40.7429 50.4986 294.524 GPRESSURE: 1738800 134.736 -47.5888 -26.8493 35.4805 -153.872 -7.28668 42.0278 190.452 316.187 PRESSAVG: 1738800 -6.64799 3.11848 14.5626 3.11855 -8.167 32.5563 14.5627 32.5562 3.27522 GPRESSAVG: 1738800 -7.36187 3.23864 15.194 3.56457 -6.99179 31.9461 13.9618 30.2267 3.28272 TIMING: 1738800 CPU: 5041.55, 0.00289019/step Wall: 5041.55, 0.00289019/step, 2.61819 hours remaining, 209.140625 MB of memory in use. ENERGY: 1738800 743.7864 2084.4023 1960.5490 124.0823 -206008.2404 17684.6356 0.0000 0.0000 34069.0200 -149341.7649 297.5332 -183410.7849 -149249.6726 299.3846 68.8196 99.0170 555252.3403 -3.8466 -3.6903 PRESSURE: 1739000 1.24394 128.859 -139.875 128.859 85.3245 -0.618841 -139.874 -0.618523 -16.765 GPRESSURE: 1739000 99.6215 99.0134 -107.518 136.195 75.7577 49.9372 -163.187 21.4202 -7.47719 PRESSAVG: 1739000 -31.1516 28.9567 36.2259 28.9568 7.80223 -10.1626 36.2257 -10.1625 50.4799 GPRESSAVG: 1739000 -30.3858 28.659 36.3186 28.1707 7.72087 -9.66971 39.6023 -9.56716 49.7698 TIMING: 1739000 CPU: 5042.13, 0.00289332/step Wall: 5042.13, 0.00289332/step, 2.62087 hours remaining, 209.140625 MB of memory in use. ENERGY: 1739000 729.3107 2054.5690 1934.8620 120.7509 -206477.8174 17892.6907 0.0000 0.0000 34280.9138 -149464.7203 299.3837 -183745.6340 -149362.2342 299.4120 23.2678 55.9673 555310.3801 9.0435 9.0350 PRESSURE: 1739200 46.0529 -13.4231 -75.4569 -13.4232 96.582 -9.95955 -75.4563 -9.95998 92.0735 GPRESSURE: 1739200 115.505 -51.3216 -30.0989 -113.902 92.3277 -19.2389 -53.0145 7.08565 117.799 PRESSAVG: 1739200 -38.1754 23.1622 43.8673 23.1621 19.6546 -13.302 43.8673 -13.3018 34.8371 GPRESSAVG: 1739200 -37.9947 24.2734 42.9686 22.5334 19.498 -13.6776 40.5615 -11.3371 34.7272 TIMING: 1739200 CPU: 5042.71, 0.00287989/step Wall: 5042.71, 0.00287989/step, 2.60854 hours remaining, 209.140625 MB of memory in use. ENERGY: 1739200 765.4974 2099.3669 1966.3533 110.3333 -206615.4806 18024.0189 0.0000 0.0000 34292.5976 -149357.3132 299.4858 -183649.9108 -149264.0711 298.9180 78.2361 108.5439 555194.5197 5.4388 5.4102 PRESSURE: 1739400 52.9569 -134.561 -8.11312 -134.561 184.59 117.616 -8.11434 117.618 110.083 GPRESSURE: 1739400 79.2907 -82.5075 -38.8715 -96.7403 258.87 147.356 13.773 77.4791 114.432 PRESSAVG: 1739400 -3.23151 -63.2642 5.06093 -63.2642 -84.768 -7.8829 5.06091 -7.88286 58.5463 GPRESSAVG: 1739400 -3.13923 -64.1637 7.02131 -63.5558 -83.8905 -7.70651 5.53681 -9.6675 58.4834 TIMING: 1739400 CPU: 5043.29, 0.00288763/step Wall: 5043.29, 0.00288763/step, 2.61539 hours remaining, 209.140625 MB of memory in use. ENERGY: 1739400 777.6460 2068.0881 1978.3025 122.5128 -206539.8752 17928.4580 0.0000 0.0000 34176.7089 -149488.1589 298.4737 -183664.8678 -149384.8355 299.3649 115.8764 150.8643 555661.8971 -9.8177 -9.5155 PRESSURE: 1739600 247.2 89.6966 144.249 89.6974 142.112 -33.5052 144.25 -33.5049 -86.037 GPRESSURE: 1739600 268.811 102.454 179.396 106.988 190.295 152.397 131.791 -88.4629 -58.0194 PRESSAVG: 1739600 -7.2922 -5.27253 -2.17687 -5.27256 -13.8077 61.7927 -2.17692 61.7926 48.7763 GPRESSAVG: 1739600 -7.41522 -3.42744 -2.42821 -6.08078 -14.0924 61.0917 -2.05783 63.7912 49.4873 TIMING: 1739600 CPU: 5043.87, 0.00290307/step Wall: 5043.87, 0.00290307/step, 2.62921 hours remaining, 209.140625 MB of memory in use. ENERGY: 1739600 756.0306 2136.1632 1958.3981 101.1408 -206436.0610 18045.4048 0.0000 0.0000 34029.6987 -149409.2247 297.1898 -183438.9235 -149316.3259 297.9441 101.0915 133.6953 557083.9279 9.2255 9.3265 PRESSURE: 1739800 -153.5 49.7283 -20.9865 49.7277 -86.586 63.821 -20.9871 63.82 -175.288 GPRESSURE: 1739800 -119.144 59.6979 -13.7199 107.989 -46.298 0.105327 -108.777 118.28 -153.316 PRESSAVG: 1739800 -11.589 -6.45356 34.8947 -6.45357 -36.4327 -4.7557 34.8947 -4.75563 40.9161 GPRESSAVG: 1739800 -11.022 -8.6357 34.9392 -6.42142 -37.2888 -3.68066 33.6147 -5.79305 40.9875 TIMING: 1739800 CPU: 5044.45, 0.00290545/step Wall: 5044.45, 0.00290545/step, 2.63121 hours remaining, 209.140625 MB of memory in use. ENERGY: 1739800 724.8817 2089.2012 1987.5082 121.4182 -206395.3469 17749.9635 0.0000 0.0000 34222.3224 -149500.0518 298.8721 -183722.3742 -149410.6066 298.4312 -138.4581 -106.2526 557210.7146 -2.3685 -2.4411 PRESSURE: 1740000 297.265 -46.4977 52.8039 -46.4985 248.911 177.825 52.8035 177.826 486.665 GPRESSURE: 1740000 326.221 -8.80933 12.9772 -93.4602 354.449 113.181 -6.99697 110.292 455.932 PRESSAVG: 1740000 36.5701 2.44548 37.3821 2.44543 -60.7122 25.0035 37.382 25.0034 19.4373 GPRESSAVG: 1740000 35.9472 1.24268 37.9893 4.97636 -60.3059 25.8912 37.951 23.8453 19.3969 TIMING: 1740000 CPU: 5045.03, 0.0028876/step Wall: 5045.03, 0.0028876/step, 2.61488 hours remaining, 209.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1740000 709.4238 2079.9915 1974.4329 107.5563 -206778.1391 18311.7368 0.0000 0.0000 34185.6510 -149409.3468 298.5518 -183594.9978 -149314.1971 298.6903 344.2802 378.8676 555740.8342 -1.5682 -1.6539 PRESSURE: 1740200 -95.2213 -146.84 52.2316 -146.839 -68.7663 20.7602 52.2324 20.7593 -96.2993 GPRESSURE: 1740200 -115.025 -193.931 64.1838 -149.003 -17.0746 16.5738 -7.32437 17.4803 -36.3736 PRESSAVG: 1740200 14.0352 11.0219 37.4527 11.0218 38.8841 9.41976 37.4527 9.41997 -31.5535 GPRESSAVG: 1740200 14.0408 12.067 36.2766 11.5619 38.461 7.50462 39.436 10.1473 -31.3424 TIMING: 1740200 CPU: 5045.6, 0.00287916/step Wall: 5045.6, 0.00287916/step, 2.60708 hours remaining, 209.140625 MB of memory in use. ENERGY: 1740200 773.0823 2102.8744 1961.0307 117.9770 -206258.8445 17781.0756 0.0000 0.0000 34135.4755 -149387.3290 298.1136 -183522.8045 -149293.6758 299.1833 -86.7623 -56.1576 557506.0080 7.1219 7.0531 LDB: ============= START OF LOAD BALANCING ============== 5048.98 LDB: ============== END OF LOAD BALANCING =============== 5048.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5048.99 LDB: ============= START OF LOAD BALANCING ============== 5049.28 LDB: Largest compute 4820 load 0.026350 is 22.3% of average load 0.117978 LDB: Average compute 0.001733 is 1.5% of average load 0.117978 LDB: TIME 5049.28 LOAD: AVG 0.117978 MAX 0.179337 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 5049.28 LOAD: AVG 0.117978 MAX 0.179337 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: TIME 5049.28 LOAD: AVG 0.117978 MAX 0.179337 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: ============== END OF LOAD BALANCING =============== 5049.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5049.29 PRESSURE: 1740400 -69.4241 -184.221 55.7249 -184.221 -227.531 -16.3068 55.7246 -16.308 105.79 GPRESSURE: 1740400 -55.4837 -212.288 -12.4931 -184.97 -146.915 -108.47 -11.7811 -14.0373 93.1248 PRESSAVG: 1740400 -16.7201 7.5133 54.0487 7.51331 19.3156 26.9696 54.0486 26.9694 -37.1274 GPRESSAVG: 1740400 -17.0785 8.19699 54.3353 5.17232 19.716 27.0872 53.7936 28.6646 -36.7763 TIMING: 1740400 CPU: 5046.19, 0.0029468/step Wall: 5046.19, 0.0029468/step, 2.66816 hours remaining, 209.382812 MB of memory in use. ENERGY: 1740400 748.1502 2068.0627 1995.4996 118.3157 -206422.9020 17842.2751 0.0000 0.0000 34314.1542 -149336.4446 299.6740 -183650.5987 -149240.8105 299.0045 -63.7216 -36.4245 559241.6011 -11.5107 -11.3796 PRESSURE: 1740600 -459.094 -61.6523 -56.3131 -61.652 8.75851 -18.9004 -56.3142 -18.8991 -19.4142 GPRESSURE: 1740600 -390.711 53.5874 -84.7084 -172.881 2.87531 -5.5401 -60.6961 -82.9385 20.4992 PRESSAVG: 1740600 -37.4939 -37.5779 -52.7944 -37.5778 56.1409 35.6305 -52.7945 35.6304 -25.969 GPRESSAVG: 1740600 -36.0147 -38.121 -51.9385 -36.5632 54.9327 36.9084 -52.7075 33.0637 -26.8163 TIMING: 1740600 CPU: 5046.77, 0.00290165/step Wall: 5046.77, 0.00290165/step, 2.62712 hours remaining, 209.468750 MB of memory in use. ENERGY: 1740600 733.5650 2114.0358 1976.4101 119.5632 -206072.8580 17581.0830 0.0000 0.0000 34087.9792 -149460.2218 297.6988 -183548.2010 -149366.4798 298.5987 -156.5831 -122.4454 557613.0905 -2.4407 -2.6328 PRESSURE: 1740800 113.919 -193.138 -3.39296 -193.138 91.2681 21.9027 -3.39378 21.9023 12.3754 GPRESSURE: 1740800 136.723 -245.468 -38.9855 -98.2277 132.885 -4.97453 -41.5848 59.3265 28.7974 PRESSAVG: 1740800 -10.3287 19.6829 7.37018 19.6828 30.4744 -4.54419 7.37021 -4.54413 -10.3269 GPRESSAVG: 1740800 -12.0222 19.6074 6.20228 20.4724 30.9248 -4.18106 7.17959 -4.62786 -9.52775 TIMING: 1740800 CPU: 5047.35, 0.00289848/step Wall: 5047.35, 0.00289848/step, 2.6241 hours remaining, 209.468750 MB of memory in use. ENERGY: 1740800 752.5139 2068.8626 1975.2245 107.9009 -206591.4701 17986.1850 0.0000 0.0000 34104.1897 -149596.5934 297.8404 -183700.7832 -149498.5323 298.2479 72.5207 99.4685 557299.1457 3.2729 3.1249 PRESSURE: 1741000 236.588 104.829 -181.397 104.829 -153.899 -27.2567 -181.398 -27.2573 -194.024 GPRESSURE: 1741000 176.463 100.269 -212.871 65.9867 -108.251 -7.8315 -173.432 -29.879 -89.261 PRESSAVG: 1741000 30.6341 32.0906 -9.82505 32.0906 -47.192 8.45232 -9.82506 8.45236 -2.26165 GPRESSAVG: 1741000 31.768 34.0097 -10.5296 30.9673 -47.7493 6.66932 -11.6987 9.2956 -2.0934 TIMING: 1741000 CPU: 5047.93, 0.00290297/step Wall: 5047.93, 0.00290297/step, 2.62799 hours remaining, 209.468750 MB of memory in use. ENERGY: 1741000 741.0232 2072.7067 1992.2725 115.2689 -206580.1377 17890.0375 0.0000 0.0000 34269.8762 -149498.9526 299.2874 -183768.8288 -149408.3904 298.4316 -37.1114 -7.0164 558772.1103 -6.2732 -6.0249 PRESSURE: 1741200 119.233 54.371 48.9364 54.3689 -364.397 -233.301 48.9368 -233.302 177.667 GPRESSURE: 1741200 81.4352 28.4402 130.513 0.855199 -332.256 -228.629 8.29891 -217.187 281.251 PRESSAVG: 1741200 27.5636 23.8998 -15.8953 23.8999 -59.4328 -18.6528 -15.8953 -18.6528 -13.4923 GPRESSAVG: 1741200 25.1196 21.3688 -16.2108 23.2136 -59.0586 -16.9384 -14.0088 -18.5487 -11.8404 TIMING: 1741200 CPU: 5048.51, 0.002882/step Wall: 5048.51, 0.002882/step, 2.60885 hours remaining, 209.468750 MB of memory in use. ENERGY: 1741200 733.4415 2061.2700 1994.2985 113.3771 -206793.3265 18108.1318 0.0000 0.0000 34271.7616 -149511.0460 299.3038 -183782.8076 -149423.0892 299.0894 -22.4990 10.1434 556946.0630 -15.1205 -15.2598 PRESSURE: 1741400 -9.27457 -68.1164 17.4802 -68.1174 -174.108 -173.915 17.4801 -173.913 -99.3779 GPRESSURE: 1741400 -5.25291 -49.7611 -1.58616 -14.0374 -168.419 -89.0122 3.32909 -146.879 -17.3178 PRESSAVG: 1741400 -42.5092 -43.6938 -21.4633 -43.6938 -49.0643 -68.6328 -21.4633 -68.6328 127.43 GPRESSAVG: 1741400 -41.1615 -42.6713 -18.2989 -41.9991 -48.1759 -67.9134 -24.4666 -68.7925 125.532 TIMING: 1741400 CPU: 5049.08, 0.00288376/step Wall: 5049.08, 0.00288376/step, 2.61028 hours remaining, 209.468750 MB of memory in use. ENERGY: 1741400 758.0053 2052.0214 1946.8467 108.1859 -206503.5521 17846.0548 0.0000 0.0000 34393.8718 -149398.5661 300.3702 -183792.4380 -149299.4036 298.7813 -94.2536 -63.6631 557670.1657 11.9523 12.0650 PRESSURE: 1741600 104.105 -15.1798 39.3488 -15.1798 -63.6479 40.8551 39.3482 40.8547 -81.7247 GPRESSURE: 1741600 88.7747 -35.7058 40.8491 -60.8928 -40.0527 -16.5385 -1.14801 14.2916 3.43566 PRESSAVG: 1741600 16.8028 -6.10114 24.9715 -6.10111 -43.2476 -75.7906 24.9715 -75.7905 26.5447 GPRESSAVG: 1741600 17.0368 -5.33488 22.5231 -8.36463 -43.1857 -75.8994 27.4161 -76.1733 26.9208 TIMING: 1741600 CPU: 5049.66, 0.00289286/step Wall: 5049.66, 0.00289286/step, 2.61836 hours remaining, 209.468750 MB of memory in use. ENERGY: 1741600 737.1651 2041.6640 1963.0426 114.9248 -206426.6361 17792.6944 0.0000 0.0000 34536.2981 -149240.8471 301.6141 -183777.1453 -149138.2129 299.0223 -13.7557 17.3859 558075.6742 0.0333 0.2573 PRESSURE: 1741800 42.275 -25.1904 45.3925 -25.1907 -73.7981 106.468 45.3923 106.466 -61.3281 GPRESSURE: 1741800 74.4142 -5.5442 72.583 -65.1673 -44.4262 132.848 13.7556 2.01956 -17.9248 PRESSAVG: 1741800 -13.6797 -30.6342 -13.3898 -30.6342 -2.45669 -41.5962 -13.3897 -41.5961 5.18316 GPRESSAVG: 1741800 -13.4569 -32.7991 -13.3653 -30.0001 -3.37699 -42.764 -14.4281 -41.6675 5.66243 TIMING: 1741800 CPU: 5050.24, 0.00290155/step Wall: 5050.24, 0.00290155/step, 2.62606 hours remaining, 209.468750 MB of memory in use. ENERGY: 1741800 742.1488 2102.3605 1964.8821 126.8740 -206626.1660 17976.0319 0.0000 0.0000 34344.5353 -149369.3334 299.9394 -183713.8687 -149279.8280 298.6893 -30.9504 4.0211 557094.1354 -3.6511 -3.7238 PRESSURE: 1742000 -110.929 6.41895 64.6791 6.41904 -232.699 -146.66 64.6782 -146.66 -78.1123 GPRESSURE: 1742000 -129.979 -25.1103 44.586 -37.0661 -161.153 -146.504 45.4057 -101.92 -32.5656 PRESSAVG: 1742000 8.92438 -37.2652 8.07283 -37.2652 -20.7281 0.365653 8.07288 0.365715 8.09373 GPRESSAVG: 1742000 8.97112 -35.4799 7.59837 -37.7039 -20.5628 -2.28668 9.94869 1.37472 8.12979 TIMING: 1742000 CPU: 5050.82, 0.00288048/step Wall: 5050.82, 0.00288048/step, 2.60684 hours remaining, 209.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1742000 776.3287 2143.2731 1966.4657 114.6547 -206302.8176 17575.2340 0.0000 0.0000 34287.4727 -149439.3887 299.4410 -183726.8614 -149346.1423 299.1634 -140.5799 -107.8992 556847.7350 -1.2366 -1.1540 PRESSURE: 1742200 -81.295 -90.6705 -120.05 -90.6717 -95.766 90.082 -120.049 90.0822 201.662 GPRESSURE: 1742200 -38.3338 -46.8286 -93.8487 -93.1871 -66.2806 47.4137 -145.071 130.232 231.281 PRESSAVG: 1742200 -3.45857 -35.1328 31.2857 -35.1329 -63.9579 -7.0119 31.2857 -7.01193 70.5018 GPRESSAVG: 1742200 -2.82873 -34.2059 34.5192 -35.3771 -64.6898 -4.35805 29.5487 -8.52824 70.5182 TIMING: 1742200 CPU: 5051.4, 0.00289241/step Wall: 5051.4, 0.00289241/step, 2.61747 hours remaining, 209.468750 MB of memory in use. ENERGY: 1742200 736.3826 2071.1435 1980.2604 111.0739 -206278.9530 17838.8016 0.0000 0.0000 34183.6108 -149357.6800 298.5340 -183541.2909 -149257.8141 299.1574 8.2003 42.2223 556850.0121 1.0285 0.9999 PRESSURE: 1742400 -145.618 -3.70599 34.2526 -3.70474 -62.7011 -194.48 34.2529 -194.481 41.7415 GPRESSURE: 1742400 -80.365 -93.372 13.0547 115.838 -18.3546 -252.169 -32.9944 -245.975 30.1215 PRESSAVG: 1742400 -48.0551 -17.1962 -11.4754 -17.1962 25.6343 -47.2206 -11.4755 -47.2206 44.0414 GPRESSAVG: 1742400 -48.7886 -19.2203 -12.9291 -17.1695 27.2914 -46.352 -12.6783 -48.3698 43.0893 TIMING: 1742400 CPU: 5051.97, 0.00288715/step Wall: 5051.97, 0.00288715/step, 2.61255 hours remaining, 209.468750 MB of memory in use. ENERGY: 1742400 742.1432 2055.7729 1960.4752 112.3035 -206275.7314 17839.9597 0.0000 0.0000 34242.5783 -149322.4985 299.0490 -183565.0767 -149233.0198 298.8136 -55.5259 -22.8660 557093.0991 7.2069 7.1974 PRESSURE: 1742600 -274.227 -36.9214 -86.8313 -36.9227 323.505 -38.9059 -86.831 -38.9066 -95.5983 GPRESSURE: 1742600 -230.797 -63.5673 -102.909 -7.8126 333.107 -55.3363 -90.4948 30.916 -50.7451 PRESSAVG: 1742600 -4.48351 -0.585511 -13.6498 -0.58547 20.1643 -27.1859 -13.6497 -27.1856 -2.24997 GPRESSAVG: 1742600 -5.03401 -0.860355 -13.7214 -0.245342 19.0829 -30.2882 -13.0434 -24.9906 -0.561617 TIMING: 1742600 CPU: 5052.55, 0.00290016/step Wall: 5052.55, 0.00290016/step, 2.62416 hours remaining, 209.468750 MB of memory in use. ENERGY: 1742600 722.1969 2081.8158 1961.7574 122.8046 -205984.4814 17713.5789 0.0000 0.0000 34015.9601 -149366.3678 297.0698 -183382.3279 -149263.8078 298.2511 -15.4403 17.1882 557618.2770 4.4769 4.4958 PRESSURE: 1742800 -82.6828 94.3896 100.634 94.3903 -32.4573 8.38511 100.633 8.38493 -117.739 GPRESSURE: 1742800 -20.3852 129.903 20.2519 108.933 -27.042 -56.6285 91.3612 118.948 -94.3893 PRESSAVG: 1742800 -5.39436 15.4549 60.5017 15.4549 29.816 1.68453 60.5017 1.6845 13.6759 GPRESSAVG: 1742800 -3.96338 17.242 58.9573 15.8497 28.5217 2.01339 60.8612 2.35863 13.055 TIMING: 1742800 CPU: 5053.14, 0.00290999/step Wall: 5053.14, 0.00290999/step, 2.6329 hours remaining, 209.468750 MB of memory in use. ENERGY: 1742800 753.5107 2061.8060 1956.1279 117.9293 -206276.2498 17761.4885 0.0000 0.0000 34190.9080 -149434.4795 298.5977 -183625.3875 -149335.6255 298.6417 -77.6263 -47.2722 556418.6860 12.6992 12.5378 PRESSURE: 1743000 -235.702 -35.518 109.48 -35.5186 139.065 23.528 109.48 23.5289 315.003 GPRESSURE: 1743000 -183.585 -87.5718 129.332 7.10127 125.146 64.5752 116.999 15.6026 375.244 PRESSAVG: 1743000 14.5409 -3.34501 7.06778 -3.34508 43.7411 -29.6229 7.06782 -29.6228 -45.7438 GPRESSAVG: 1743000 13.0885 -4.1065 6.32828 -4.22368 44.6392 -27.7125 8.72709 -31.501 -45.4429 TIMING: 1743000 CPU: 5053.72, 0.00290373/step Wall: 5053.72, 0.00290373/step, 2.62707 hours remaining, 209.468750 MB of memory in use. ENERGY: 1743000 762.2830 2126.9998 1953.2779 109.8147 -206356.9896 17880.4794 0.0000 0.0000 34165.6411 -149358.4937 298.3770 -183524.1348 -149265.1638 298.3342 72.7887 105.6017 556512.1293 4.1794 4.0949 PRESSURE: 1743200 30.0349 -45.3344 -107.909 -45.3341 -168.581 -0.595941 -107.91 -0.595439 -30.9209 GPRESSURE: 1743200 56.8323 -16.9706 -131.896 -38.0628 -163.337 -8.85971 -88.6942 -73.7542 36.1103 PRESSAVG: 1743200 -20.4406 23.1658 -57.2781 23.1658 17.0748 -19.5839 -57.2782 -19.5837 9.05878 GPRESSAVG: 1743200 -19.4799 21.7591 -57.7297 23.5073 17.0345 -19.9955 -57.4968 -19.3884 7.63394 TIMING: 1743200 CPU: 5054.29, 0.00288518/step Wall: 5054.29, 0.00288518/step, 2.61012 hours remaining, 209.468750 MB of memory in use. ENERGY: 1743200 739.8515 2078.3698 1966.9588 114.7364 -206108.0300 17703.8840 0.0000 0.0000 34118.9860 -149385.2435 297.9696 -183504.2295 -149293.2096 298.1269 -56.4888 -23.4649 557322.9463 1.8976 1.7295 PRESSURE: 1743400 -132.261 326.867 155.277 326.866 -132.766 68.4243 155.277 68.424 -168.833 GPRESSURE: 1743400 -95.473 181.913 209.727 365.47 -77.5105 134.707 30.6101 -96.031 -157.541 PRESSAVG: 1743400 14.1184 36.2219 -44.4968 36.2219 -17.6787 1.68005 -44.4968 1.67993 -6.83827 GPRESSAVG: 1743400 13.7764 37.623 -44.131 37.1862 -17.4871 1.7143 -44.7943 1.27345 -6.52032 TIMING: 1743400 CPU: 5054.87, 0.00288026/step Wall: 5054.87, 0.00288026/step, 2.60552 hours remaining, 209.468750 MB of memory in use. ENERGY: 1743400 740.7620 2105.5152 1972.5110 121.2377 -206236.8654 17577.7658 0.0000 0.0000 34215.2186 -149503.8551 298.8100 -183719.0736 -149410.6455 298.4765 -144.6201 -110.1749 556531.9735 -3.4662 -3.4104 PRESSURE: 1743600 -266.956 -78.5584 20.3972 -78.5575 93.9814 7.3602 20.3967 7.36057 -168.827 GPRESSURE: 1743600 -183.061 -127.869 52.809 -72.9822 131.387 81.559 -7.68919 -3.21409 -180.233 PRESSAVG: 1743600 -25.4622 35.0202 -19.25 35.0201 57.0112 -8.52694 -19.2501 -8.52695 -1.34723 GPRESSAVG: 1743600 -24.7954 37.2541 -17.5843 34.452 56.4194 -8.75111 -18.5066 -7.82829 -1.19731 TIMING: 1743600 CPU: 5055.45, 0.00287892/step Wall: 5055.45, 0.00287892/step, 2.60415 hours remaining, 209.468750 MB of memory in use. ENERGY: 1743600 747.1809 2078.0625 1966.8576 113.1797 -206290.3988 17781.7222 0.0000 0.0000 34145.2030 -149458.1930 298.1985 -183603.3959 -149364.2621 298.8921 -113.9336 -77.3019 557631.5169 10.0673 10.1422 PRESSURE: 1743800 20.0014 108.3 101.124 108.3 206.106 163.666 101.125 163.668 -102.969 GPRESSURE: 1743800 59.43 66.3707 91.6985 67.5217 212.862 118.207 78.9159 122.487 -61.1562 PRESSAVG: 1743800 -2.01785 43.8355 -24.8979 43.8355 -4.65373 43.7084 -24.8979 43.7083 -0.251819 GPRESSAVG: 1743800 -3.70431 41.9588 -24.4065 42.7926 -4.02972 43.1546 -25.0867 45.4888 0.535855 TIMING: 1743800 CPU: 5056.02, 0.00288978/step Wall: 5056.02, 0.00288977/step, 2.6138 hours remaining, 209.468750 MB of memory in use. ENERGY: 1743800 735.3506 2096.6148 1972.6224 126.1549 -206791.4543 18264.5357 0.0000 0.0000 34257.7263 -149338.4497 299.1812 -183596.1760 -149248.1618 298.2776 41.0464 70.3785 559615.5009 -2.3078 -2.3994 PRESSURE: 1744000 -221.519 246.087 -231.925 246.086 -230.022 -85.6515 -231.925 -85.6536 -115.72 GPRESSURE: 1744000 -178.315 220.325 -226.804 244.207 -180.877 -132.33 -245.202 -6.59231 -123.367 PRESSAVG: 1744000 6.21514 95.5111 -32.8867 95.5111 34.1151 -43.354 -32.8867 -43.354 6.35029 GPRESSAVG: 1744000 7.03003 94.402 -33.4702 94.459 34.628 -42.8267 -34.0328 -44.71 4.6179 TIMING: 1744000 CPU: 5056.6, 0.00289376/step Wall: 5056.6, 0.00289376/step, 2.61724 hours remaining, 209.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1744000 765.2249 2078.4020 2000.6586 116.0225 -206308.9063 17674.0714 0.0000 0.0000 34212.5706 -149461.9564 298.7869 -183674.5270 -149370.2015 298.8190 -189.0869 -160.8532 558062.3457 15.5602 15.4253 PRESSURE: 1744200 -57.8154 180.639 53.1247 180.641 -17.0543 104.846 53.1248 104.845 74.543 GPRESSURE: 1744200 -18.4706 152.844 -39.4007 212.434 -12.0686 108.719 124.402 75.3261 110.351 PRESSAVG: 1744200 56.2772 48.2212 -17.0448 48.2212 -4.62972 7.11226 -17.0447 7.1123 26.8875 GPRESSAVG: 1744200 56.7174 49.0504 -18.4136 49.1249 -5.03113 8.11323 -15.1475 6.25697 27.3339 TIMING: 1744200 CPU: 5057.18, 0.00290708/step Wall: 5057.18, 0.00290708/step, 2.62913 hours remaining, 209.468750 MB of memory in use. ENERGY: 1744200 767.0524 2080.8351 1954.8802 116.1035 -206285.5993 17689.9599 0.0000 0.0000 34263.4474 -149413.3208 299.2312 -183676.7682 -149314.1953 298.5384 -0.1089 26.6038 557919.5317 26.1783 26.3401 LDB: ============= START OF LOAD BALANCING ============== 5060.57 LDB: ============== END OF LOAD BALANCING =============== 5060.57 LDB: =============== DONE WITH MIGRATION ================ 5060.57 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 5060.86 LDB: Largest compute 4820 load 0.025368 is 21.5% of average load 0.117838 LDB: Average compute 0.001733 is 1.5% of average load 0.117838 LDB: TIME 5060.86 LOAD: AVG 0.117838 MAX 0.179146 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.664 MB LDB: TIME 5060.86 LOAD: AVG 0.117838 MAX 0.179146 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.727 MB LDB: TIME 5060.86 LOAD: AVG 0.117838 MAX 0.179146 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.727 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5060.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5060.87 PRESSURE: 1744400 -254.234 4.24147 -20.6073 4.24234 133.525 -36.403 -20.6066 -36.4026 -150.662 GPRESSURE: 1744400 -193.163 -1.95233 68.0876 -40.2179 150.545 8.69795 -110.985 -104.699 -127.977 PRESSAVG: 1744400 -14.0132 93.5159 -12.1202 93.5159 24.4248 -17.2202 -12.1202 -17.2204 -20.3364 GPRESSAVG: 1744400 -14.3411 94.3605 -11.9734 94.3014 25.5061 -17.2701 -14.0454 -17.8651 -20.9379 TIMING: 1744400 CPU: 5057.77, 0.00294344/step Wall: 5057.77, 0.00294344/step, 2.66186 hours remaining, 208.101562 MB of memory in use. ENERGY: 1744400 713.6634 2068.4403 1956.6744 117.6149 -205790.6061 17521.4998 0.0000 0.0000 34023.9745 -149388.7389 297.1398 -183412.7134 -149299.2517 298.4918 -90.4571 -56.8652 558254.1851 -3.3083 -3.2576 PRESSURE: 1744600 150.438 -26.1293 32.7171 -26.129 -185.577 102.82 32.7184 102.821 100.587 GPRESSURE: 1744600 203.527 25.3831 -25.0679 9.47826 -156.845 139.105 70.9476 109.888 126.486 PRESSAVG: 1744600 10.2887 45.6518 -18.9338 45.6518 22.9562 26.7548 -18.9338 26.7547 -1.80421 GPRESSAVG: 1744600 9.61757 46.254 -17.9352 45.9527 22.9763 25.841 -18.8273 27.3503 -1.024 TIMING: 1744600 CPU: 5058.35, 0.00287923/step Wall: 5058.35, 0.00287923/step, 2.60362 hours remaining, 208.304688 MB of memory in use. ENERGY: 1744600 706.5378 2088.3277 1971.6771 122.7157 -206564.2866 17863.7330 0.0000 0.0000 34295.2806 -149516.0147 299.5092 -183811.2953 -149420.6947 298.4797 21.8161 57.7229 557032.5395 10.4802 10.5233 PRESSURE: 1744800 -7.6212 -78.4459 8.76449 -78.4459 -117.888 67.8786 8.76464 67.8793 14.2564 GPRESSURE: 1744800 32.2002 -130.493 -35.2588 -56.8079 -47.3697 110.357 -57.2749 44.1896 1.62734 PRESSAVG: 1744800 45.833 30.1501 3.72185 30.15 -19.358 4.06928 3.72178 4.06926 36.645 GPRESSAVG: 1744800 46.5706 29.1586 4.4354 30.7327 -20.5666 5.39088 3.28302 3.90119 37.1427 TIMING: 1744800 CPU: 5058.93, 0.00289655/step Wall: 5058.93, 0.00289655/step, 2.61913 hours remaining, 208.304688 MB of memory in use. ENERGY: 1744800 765.1051 2058.1151 1999.7598 114.2338 -206550.9622 17994.8522 0.0000 0.0000 34199.7997 -149419.0964 298.6754 -183618.8961 -149317.2151 298.3989 -37.0844 -4.5141 557631.9254 21.0400 21.0489 PRESSURE: 1745000 -97.1065 -0.886261 37.9346 -0.885604 130.348 20.4094 37.9354 20.41 -155.37 GPRESSURE: 1745000 -50.4196 59.3227 61.2643 51.1686 149.457 -25.3233 118.061 47.8944 -101.485 PRESSAVG: 1745000 64.6782 38.883 8.92617 38.883 -33.6351 -3.41612 8.92616 -3.41601 -23.8964 GPRESSAVG: 1745000 65.8508 39.0599 9.38952 38.0845 -34.587 -4.58926 10.2644 -3.39232 -24.6235 TIMING: 1745000 CPU: 5059.51, 0.0029019/step Wall: 5059.51, 0.0029019/step, 2.6238 hours remaining, 208.304688 MB of memory in use. ENERGY: 1745000 735.2572 2104.6316 1956.4856 114.8430 -206314.0077 17769.4154 0.0000 0.0000 34392.8146 -149240.5603 300.3610 -183633.3749 -149143.7767 298.8805 -40.7095 -0.8161 557279.4537 2.3822 2.2134 PRESSURE: 1745200 358.654 26.6388 -54.2123 26.6369 -83.413 -49.3936 -54.2135 -49.3951 116.18 GPRESSURE: 1745200 357.418 5.58734 -61.1823 118.181 -56.2053 -95.8956 -10.6711 -54.8113 178.838 PRESSAVG: 1745200 83.237 29.3221 -35.1175 29.3221 -19.626 1.38561 -35.1175 1.38569 -43.8582 GPRESSAVG: 1745200 82.1805 29.3049 -35.7438 29.4991 -18.5001 0.822204 -34.2745 2.19039 -44.5084 TIMING: 1745200 CPU: 5060.09, 0.00288794/step Wall: 5060.09, 0.00288794/step, 2.61102 hours remaining, 208.304688 MB of memory in use. ENERGY: 1745200 687.9026 2109.6719 1953.4357 115.2571 -206316.2655 17856.5801 0.0000 0.0000 34354.1955 -149239.2227 300.0237 -183593.4181 -149147.0192 299.0054 130.4740 160.0169 556465.3755 6.5843 6.3907 PRESSURE: 1745400 46.192 -22.3949 8.30167 -22.3962 -4.5457 122.447 8.30164 122.447 81.4161 GPRESSURE: 1745400 104.535 127.896 27.0671 -129.585 30.374 121.202 41.2556 152.728 86.2797 PRESSAVG: 1745400 -44.9551 77.8305 19.3213 77.8306 22.7743 -74.1516 19.3212 -74.1516 8.21918 GPRESSAVG: 1745400 -46.1456 78.6176 17.5334 75.8063 22.1957 -73.2707 18.592 -73.6329 9.55118 TIMING: 1745400 CPU: 5060.66, 0.00289185/step Wall: 5060.66, 0.00289185/step, 2.61439 hours remaining, 208.304688 MB of memory in use. ENERGY: 1745400 751.5959 2055.3201 1978.2938 113.0857 -206160.0733 17839.1591 0.0000 0.0000 34182.0599 -149240.5589 298.5204 -183422.6188 -149142.2679 298.7617 41.0208 73.7294 557447.2563 -4.6539 -4.7996 PRESSURE: 1745600 -164.972 154.167 -57.7179 154.167 89.0729 108.344 -57.7169 108.344 -18.5974 GPRESSURE: 1745600 -111.933 136.261 -75.5936 221.224 117.406 6.98181 -68.031 135.586 -3.37299 PRESSAVG: 1745600 -34.8531 63.0038 8.72427 63.0038 14.8326 0.231982 8.72432 0.232087 47.9272 GPRESSAVG: 1745600 -34.835 62.118 8.70558 64.3192 15.3725 -2.64984 9.82909 0.0172398 47.0527 TIMING: 1745600 CPU: 5061.25, 0.0029013/step Wall: 5061.25, 0.0029013/step, 2.62277 hours remaining, 208.304688 MB of memory in use. ENERGY: 1745600 739.3216 2108.7635 1973.3604 120.9221 -206168.8871 17720.0563 0.0000 0.0000 34270.8358 -149235.6274 299.2957 -183506.4632 -149134.9331 299.2367 -31.4988 0.7000 557363.8746 9.3022 9.1967 PRESSURE: 1745800 27.2995 -181.917 -65.5918 -181.918 23.8392 82.0208 -65.5918 82.0208 -40.8468 GPRESSURE: 1745800 46.9855 -166.387 -43.5676 -130.802 40.8422 -14.8073 -23.0367 125.933 23.3524 PRESSAVG: 1745800 -23.2078 54.873 18.507 54.873 -24.6484 22.4829 18.507 22.4829 79.6404 GPRESSAVG: 1745800 -22.0833 55.8598 19.1388 53.8965 -25.029 25.7001 16.718 19.6863 78.9734 TIMING: 1745800 CPU: 5061.82, 0.0028856/step Wall: 5061.82, 0.0028856/step, 2.60842 hours remaining, 208.304688 MB of memory in use. ENERGY: 1745800 748.1715 2088.9693 1951.6352 114.6587 -206421.3391 18027.8711 0.0000 0.0000 34374.9698 -149115.0634 300.2052 -183490.0332 -149022.2343 300.1587 3.4306 37.0600 557708.5030 10.5947 10.6204 PRESSURE: 1746000 27.3348 93.6737 41.3727 93.6728 23.6554 -77.0799 41.3731 -77.0814 177.473 GPRESSURE: 1746000 50.5954 27.4956 51.0425 150.224 68.9763 -52.2936 60.7086 -65.9309 214.905 PRESSAVG: 1746000 -3.52944 -0.471464 58.5168 -0.471365 -7.8721 10.17 58.5169 10.17 14.9098 GPRESSAVG: 1746000 -4.13105 -1.43339 59.3531 1.67036 -7.61947 9.26519 58.8631 10.5653 15.2116 TIMING: 1746000 CPU: 5062.4, 0.00288061/step Wall: 5062.4, 0.00288061/step, 2.60375 hours remaining, 208.304688 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: 1746000 718.0855 2105.3401 1971.5471 114.0833 -206570.5307 17880.6440 0.0000 0.0000 34598.8244 -149182.0063 302.1601 -183780.8307 -149082.1761 299.9350 76.1543 111.4922 555441.2826 1.1694 1.1537 PRESSURE: 1746200 5.71749 -186.766 -21.5143 -186.767 -151.351 -74.0436 -21.5141 -74.0441 -252.26 GPRESSURE: 1746200 -23.6956 -163.17 -65.9618 -273.603 -128.676 -41.8353 -10.943 -82.5333 -148.335 PRESSAVG: 1746200 33.2968 30.0852 28.3804 30.0852 -34.8509 -2.71421 28.3804 -2.7143 13.4551 GPRESSAVG: 1746200 33.1997 29.2207 28.2887 28.6001 -35.6958 -1.25051 28.8459 -1.86567 13.7943 TIMING: 1746200 CPU: 5062.98, 0.00288984/step Wall: 5062.98, 0.00288984/step, 2.61194 hours remaining, 208.304688 MB of memory in use. ENERGY: 1746200 744.0915 2069.3842 1977.1618 118.3674 -205907.2557 17601.4915 0.0000 0.0000 34321.0549 -149075.7045 299.7343 -183396.7594 -148979.9344 299.5768 -132.6314 -100.2358 556376.6792 3.9670 3.7661 PRESSURE: 1746400 121.279 -32.6976 -124.492 -32.6984 20.7309 87.105 -124.492 87.1055 134.19 GPRESSURE: 1746400 158.311 -53.0681 -114.516 -77.0483 61.269 118.723 -90.3781 22.5948 161.575 PRESSAVG: 1746400 -85.1009 -44.0964 -29.8961 -44.0963 27.9029 30.2461 -29.8961 30.2462 -3.53599 GPRESSAVG: 1746400 -84.9574 -41.5405 -30.9744 -45.2311 29.0967 29.9847 -28.7079 30.8746 -4.51989 TIMING: 1746400 CPU: 5063.55, 0.00289291/step Wall: 5063.55, 0.00289291/step, 2.61455 hours remaining, 208.304688 MB of memory in use. ENERGY: 1746400 736.6559 2075.1591 1960.0905 105.3786 -206037.9116 17948.4756 0.0000 0.0000 34369.2675 -148842.8844 300.1554 -183212.1520 -148741.8714 299.7791 92.0666 127.0519 558238.6356 -20.2447 -20.1269 PRESSURE: 1746600 -260.268 4.2102 -111.234 4.20975 -80.5266 28.2122 -111.234 28.2128 -435.972 GPRESSURE: 1746600 -300.731 -11.7914 -173.776 48.8989 27.6064 13.2117 -55.1268 15.046 -390.972 PRESSAVG: 1746600 -7.38962 -50.6143 -54.8424 -50.6142 51.0839 31.7253 -54.8424 31.7253 -36.5258 GPRESSAVG: 1746600 -8.01057 -51.773 -53.6641 -47.77 51.6141 31.2528 -56.1174 30.6746 -36.1753 TIMING: 1746600 CPU: 5064.13, 0.00288986/step Wall: 5064.13, 0.00288986/step, 2.61163 hours remaining, 208.304688 MB of memory in use. ENERGY: 1746600 785.8612 2175.0198 1961.2259 116.9174 -205530.9714 17417.2285 0.0000 0.0000 34231.0570 -148843.6617 298.9483 -183074.7187 -148750.6054 299.7858 -258.9222 -221.3654 558435.7437 2.3895 2.4761 PRESSURE: 1746800 51.5097 -38.6951 56.3125 -38.6952 -1.28791 -16.7271 56.3121 -16.727 133.879 GPRESSURE: 1746800 95.2473 -2.33885 -8.57234 9.82783 54.0996 19.3775 175.763 -91.7231 133.124 PRESSAVG: 1746800 -45.13 17.5066 -24.1319 17.5065 24.89 56.803 -24.132 56.803 -56.1998 GPRESSAVG: 1746800 -44.923 16.8638 -22.6261 17.1395 25.5118 58.0899 -25.9503 56.8372 -57.2792 TIMING: 1746800 CPU: 5064.71, 0.0028829/step Wall: 5064.71, 0.0028829/step, 2.60518 hours remaining, 208.304688 MB of memory in use. ENERGY: 1746800 792.1480 2085.6596 1971.1867 113.7132 -206301.9374 18005.7834 0.0000 0.0000 34439.9130 -148893.5335 300.7723 -183333.4465 -148808.7574 299.8436 61.3669 94.1569 558234.5574 -25.4799 -25.5635 PRESSURE: 1747000 -62.6271 98.406 -119.026 98.4058 53.5611 -56.3005 -119.026 -56.3018 -33.9473 GPRESSURE: 1747000 22.4756 163.747 -159.266 43.3729 34.8952 -85.6911 -115.086 -62.1981 3.43458 PRESSAVG: 1747000 -2.86352 -23.7916 -2.15476 -23.7915 -13.4826 13.2754 -2.15483 13.2754 -22.1084 GPRESSAVG: 1747000 -3.09406 -24.1149 -3.47128 -24.2004 -14.5619 12.2152 -2.1173 13.8989 -20.1804 TIMING: 1747000 CPU: 5065.29, 0.00288376/step Wall: 5065.29, 0.00288376/step, 2.6058 hours remaining, 208.304688 MB of memory in use. ENERGY: 1747000 755.0288 2029.2642 1994.4348 105.2709 -206116.0044 17889.4647 0.0000 0.0000 34517.8751 -148824.6659 301.4532 -183342.5411 -148724.7487 300.5532 -14.3378 20.2685 558331.4181 -12.8182 -12.6121 PRESSURE: 1747200 124.017 74.9201 112.082 74.919 -2.87987 -125.339 112.083 -125.341 -57.8504 GPRESSURE: 1747200 222.006 25.2774 89.3436 19.7937 4.56784 -125.22 92.4803 -119.459 -65.1017 PRESSAVG: 1747200 55.6542 0.732896 -22.3237 0.732872 31.1029 -44.6567 -22.3238 -44.6568 -58.1526 GPRESSAVG: 1747200 56.1906 0.716915 -20.724 -0.362029 31.122 -44.818 -22.6443 -44.1279 -58.634 TIMING: 1747200 CPU: 5065.86, 0.00288594/step Wall: 5065.86, 0.00288594/step, 2.60761 hours remaining, 208.304688 MB of memory in use. ENERGY: 1747200 745.0571 2072.4817 1972.0061 115.8696 -206027.9370 17737.1861 0.0000 0.0000 34499.4889 -148885.8475 301.2926 -183385.3364 -148785.3193 300.6788 21.0957 53.8239 557982.3013 9.5349 9.5595 PRESSURE: 1747400 -60.4711 123.571 -14.0513 123.57 3.44109 -67.4775 -14.0517 -67.4793 48.4837 GPRESSURE: 1747400 -67.0422 133.896 -120.937 229.693 43.432 -73.8044 56.7308 -106.609 100.154 PRESSAVG: 1747400 2.0758 14.0112 -27.189 14.0112 17.6665 47.6982 -27.1891 47.698 31.6472 GPRESSAVG: 1747400 1.5198 14.7543 -28.2504 14.0083 17.4912 47.2329 -26.0546 48.2427 32.5076 TIMING: 1747400 CPU: 5066.45, 0.00290963/step Wall: 5066.45, 0.00290963/step, 2.62885 hours remaining, 208.304688 MB of memory in use. ENERGY: 1747400 730.4237 2080.1551 1967.9275 110.4373 -205595.7320 17591.7692 0.0000 0.0000 34263.4657 -148851.5535 299.2314 -183115.0192 -148761.0613 300.2731 -2.8488 25.5145 557552.4629 17.1298 17.1729 PRESSURE: 1747600 59.6131 115.091 91.3267 115.092 -132.286 34.9067 91.3254 34.9049 -25.9565 GPRESSURE: 1747600 145.121 69.3192 74.5908 146.683 -139.024 41.4743 144.364 27.6794 -10.9285 PRESSAVG: 1747600 35.9211 19.9067 47.8119 19.9067 -3.21003 -34.6875 47.812 -34.6876 -32.7993 GPRESSAVG: 1747600 36.2188 20.8901 47.1708 18.0795 -2.10668 -35.9179 46.5641 -35.502 -34.5761 TIMING: 1747600 CPU: 5067.02, 0.00288993/step Wall: 5067.02, 0.00288993/step, 2.61089 hours remaining, 208.304688 MB of memory in use. ENERGY: 1747600 788.5788 2094.2381 1975.7648 118.2297 -206142.8288 17810.8680 0.0000 0.0000 34341.1696 -149013.9798 299.9100 -183355.1494 -148917.8629 299.8063 -32.8764 -1.6103 556596.7446 -0.0294 -0.1547 PRESSURE: 1747800 -173.267 -97.6727 -5.99333 -97.6732 45.5704 -99.6418 -5.992 -99.6426 -13.6765 GPRESSURE: 1747800 -123.447 -71.3642 10.013 -89.0525 67.5916 -40.7674 44.3094 -9.32462 12.1838 PRESSAVG: 1747800 62.3927 -37.0147 23.939 -37.0147 -68.6833 -19.5604 23.939 -19.5604 5.806 GPRESSAVG: 1747800 62.1642 -37.6445 24.2125 -35.7879 -69.4898 -17.6475 26.0193 -19.716 6.29048 TIMING: 1747800 CPU: 5067.6, 0.00289636/step Wall: 5067.6, 0.00289636/step, 2.61654 hours remaining, 208.304688 MB of memory in use. ENERGY: 1747800 765.1542 2071.1951 2001.1059 118.7070 -206018.2802 17783.4178 0.0000 0.0000 34292.0656 -148986.6347 299.4811 -183278.7002 -148890.5816 299.5440 -47.1242 -14.5571 558358.3515 -0.1615 -0.3450 PRESSURE: 1748000 163.587 -39.4753 21.5128 -39.4771 -184.76 94.3166 21.5126 94.3165 -193.683 GPRESSURE: 1748000 142.426 -40.1422 39.6091 64.0479 -147.922 47.4027 -18.4656 79.7383 -124.054 PRESSAVG: 1748000 -8.08504 -41.9019 -11.6828 -41.902 -35.9349 -16.3573 -11.6828 -16.3573 73.3341 GPRESSAVG: 1748000 -8.37195 -41.8321 -12.8134 -43.4681 -35.7635 -17.9633 -12.2165 -15.076 73.4207 TIMING: 1748000 CPU: 5068.18, 0.00290566/step Wall: 5068.18, 0.00290565/step, 2.62477 hours remaining, 208.304688 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: 1748000 780.0625 2076.0048 1994.2770 114.8013 -206231.9256 17752.8354 0.0000 0.0000 34428.7800 -149085.1646 300.6751 -183513.9446 -148993.5410 300.3155 -71.6184 -43.1834 556159.7681 9.7714 9.7617 PRESSURE: 1748200 -118.326 -119.21 -98.9675 -119.209 -174.618 18.9975 -98.9692 18.9963 -213.16 GPRESSURE: 1748200 -94.4494 -165.691 -187.911 -31.8452 -163.506 84.686 -90.844 -28.2869 -146.797 PRESSAVG: 1748200 -7.16997 -43.6338 -10.3427 -43.6339 -26.5189 -28.1508 -10.3429 -28.1508 61.7968 GPRESSAVG: 1748200 -7.64713 -43.9768 -9.73073 -40.593 -27.0995 -28.165 -11.57 -30.3247 63.071 TIMING: 1748200 CPU: 5068.76, 0.00290123/step Wall: 5068.76, 0.00290123/step, 2.62062 hours remaining, 208.304688 MB of memory in use. ENERGY: 1748200 774.7290 2110.2888 1979.3907 110.3483 -205967.1853 17545.4583 0.0000 0.0000 34234.7904 -149212.1798 298.9809 -183446.9702 -149116.1299 299.1269 -168.7013 -134.9175 557059.9805 9.3693 9.4415 LDB: ============= START OF LOAD BALANCING ============== 5072.15 LDB: ============== END OF LOAD BALANCING =============== 5072.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5072.15 LDB: ============= START OF LOAD BALANCING ============== 5072.44 LDB: Largest compute 4820 load 0.025404 is 21.6% of average load 0.117874 LDB: Average compute 0.001727 is 1.5% of average load 0.117874 LDB: TIME 5072.44 LOAD: AVG 0.117874 MAX 0.179888 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.641 MB LDB: TIME 5072.44 LOAD: AVG 0.117874 MAX 0.179888 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.68 MB LDB: TIME 5072.44 LOAD: AVG 0.117874 MAX 0.179888 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.68 MB LDB: ============== END OF LOAD BALANCING =============== 5072.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5072.45 PRESSURE: 1748400 87.7866 18.4972 -201.932 18.4964 -38.48 -52.5164 -201.931 -52.516 129.04 GPRESSURE: 1748400 81.6486 17.2255 -187.729 1.51852 22.1344 -130.542 -267.776 18.1013 183.906 PRESSAVG: 1748400 67.302 -54.9896 19.7019 -54.9897 -12.4641 9.67411 19.7019 9.67409 -38.5688 GPRESSAVG: 1748400 66.696 -54.5976 19.0545 -55.3034 -11.157 9.83283 20.3947 10.1679 -39.7966 TIMING: 1748400 CPU: 5069.35, 0.00294134/step Wall: 5069.35, 0.00294134/step, 2.65668 hours remaining, 208.410156 MB of memory in use. ENERGY: 1748400 788.2551 2057.6824 1975.0032 125.0304 -206163.5905 17717.7202 0.0000 0.0000 34197.8783 -149302.0209 298.6586 -183499.8992 -149204.0191 299.4410 59.4489 95.8962 555336.9234 5.4230 5.2475 PRESSURE: 1748600 -186.881 -34.467 -155.087 -34.4673 -87.3325 12.7325 -155.087 12.7304 67.4819 GPRESSURE: 1748600 -134.799 -81.5181 -62.7635 -26.3305 -52.3018 35.0227 -190.283 -80.2051 64.3415 PRESSAVG: 1748600 -13.6701 -7.67469 -53.8408 -7.67467 53.0122 -34.8567 -53.8408 -34.8566 -63.9274 GPRESSAVG: 1748600 -12.6653 -8.81893 -53.5436 -7.61485 52.4667 -32.4522 -52.9324 -35.6115 -64.7804 TIMING: 1748600 CPU: 5069.93, 0.00288423/step Wall: 5069.93, 0.00288423/step, 2.60494 hours remaining, 208.871094 MB of memory in use. ENERGY: 1748600 768.5244 2100.1328 1970.9748 112.8247 -205984.2829 17664.9749 0.0000 0.0000 34330.8059 -149036.0455 299.8195 -183366.8513 -148942.9092 299.6903 -68.9104 -40.9197 557648.1764 -8.1951 -8.3264 PRESSURE: 1748800 104.577 64.7053 -28.0339 64.7071 132.319 156.855 -28.0332 156.857 -4.67993 GPRESSURE: 1748800 121.319 14.2432 -28.1705 62.7665 158.62 35.9755 21.4084 204.45 43.8269 PRESSAVG: 1748800 43.9639 24.6405 -32.5359 24.6406 -35.2704 9.46558 -32.5359 9.46566 -3.45457 GPRESSAVG: 1748800 44.2853 24.826 -31.8928 23.0578 -35.757 6.51272 -31.5616 9.71951 -3.72627 TIMING: 1748800 CPU: 5070.51, 0.00288645/step Wall: 5070.51, 0.00288645/step, 2.60679 hours remaining, 208.871094 MB of memory in use. ENERGY: 1748800 729.6062 2066.8932 1977.6558 113.2574 -206050.0971 17795.3512 0.0000 0.0000 34330.2223 -149037.1108 299.8144 -183367.3331 -148935.6056 299.7373 77.4052 107.9221 557326.0284 1.7463 1.6007 PRESSURE: 1749000 76.7269 -76.6075 -25.4299 -76.6077 282.81 63.5963 -25.4293 63.5968 -79.1722 GPRESSURE: 1749000 105.485 -84.2533 13.8998 -62.6411 304.048 62.7823 20.1167 -19.8483 -33.4522 PRESSAVG: 1749000 2.60026 14.4455 12.4429 14.4455 11.2415 -2.33817 12.4429 -2.33808 -35.9087 GPRESSAVG: 1749000 2.08791 15.5906 12.6936 13.9299 11.4001 -1.26567 11.1937 -2.49097 -35.999 TIMING: 1749000 CPU: 5071.08, 0.00287172/step Wall: 5071.08, 0.00287172/step, 2.59332 hours remaining, 208.871094 MB of memory in use. ENERGY: 1749000 712.8789 2126.5860 1966.9151 116.4369 -205853.9456 17952.6783 0.0000 0.0000 33985.0376 -148993.4129 296.7998 -182978.4506 -148896.2504 299.2981 93.4549 125.3604 559626.6370 -7.3556 -7.5037 PRESSURE: 1749200 48.5276 -59.1451 12.1491 -59.1463 -99.6315 92.6519 12.1489 92.6523 -166.768 GPRESSURE: 1749200 81.3271 -88.4175 87.5272 -68.3985 -73.5552 23.4678 -21.6187 42.3885 -124.169 PRESSAVG: 1749200 28.1886 -59.8486 -6.07904 -59.8486 -31.0631 -21.53 -6.07902 -21.5299 -42.1644 GPRESSAVG: 1749200 27.5134 -61.867 -5.23881 -59.7624 -31.5589 -22.5918 -6.06465 -21.5589 -40.7008 TIMING: 1749200 CPU: 5071.66, 0.00288106/step Wall: 5071.66, 0.00288106/step, 2.6016 hours remaining, 208.871094 MB of memory in use. ENERGY: 1749200 748.0074 2084.8189 1964.9479 113.1319 -206046.4475 17769.0379 0.0000 0.0000 34359.0067 -149007.4967 300.0658 -183366.5034 -148901.4721 299.2161 -72.6240 -38.7989 558193.8803 -15.0129 -14.9154 PRESSURE: 1749400 -24.4506 122.538 -19.6843 122.537 57.6057 0.330091 -19.6836 0.331646 4.37757 GPRESSURE: 1749400 6.24729 97.8819 -12.1431 74.6156 92.3424 23.9087 -40.3551 8.12261 27.8839 PRESSAVG: 1749400 27.8745 -44.3623 -47.6343 -44.3623 -85.3975 -21.0052 -47.6343 -21.0053 37.8016 GPRESSAVG: 1749400 28.4241 -42.6045 -50.2511 -44.3101 -85.2724 -19.1656 -47.5577 -20.6809 37.1897 TIMING: 1749400 CPU: 5072.23, 0.00286875/step Wall: 5072.23, 0.00286875/step, 2.59032 hours remaining, 208.871094 MB of memory in use. ENERGY: 1749400 725.9978 2134.6389 1969.2744 124.2444 -205714.3455 17623.0699 0.0000 0.0000 34300.1550 -148836.9652 299.5518 -183137.1202 -148736.4362 300.2625 12.5109 42.1579 557473.9632 -6.5738 -6.5529 PRESSURE: 1749600 -159.478 39.4283 -18.8713 39.4278 192.929 -66.2567 -18.8726 -66.2551 -169.407 GPRESSURE: 1749600 -85.3476 -11.5051 18.8308 202.566 212.846 -15.9378 -3.31755 -166.324 -173.63 PRESSAVG: 1749600 28.1452 15.4561 57.318 15.4561 72.5396 -1.64124 57.3179 -1.64114 -70.287 GPRESSAVG: 1749600 28.2872 15.1066 59.124 15.3305 72.0224 -2.10082 57.91 -2.23807 -69.7188 TIMING: 1749600 CPU: 5072.81, 0.00287454/step Wall: 5072.81, 0.00287454/step, 2.59539 hours remaining, 208.871094 MB of memory in use. ENERGY: 1749600 765.7772 2042.0156 1980.1053 112.5468 -205803.9380 17874.7813 0.0000 0.0000 34372.9891 -148655.7226 300.1879 -183028.7117 -148564.4185 300.2364 -45.3185 -15.3773 561008.7806 10.1326 10.1969 PRESSURE: 1749800 166.895 127.434 -27.2164 127.433 102.685 -179 -27.2158 -179 9.50677 GPRESSURE: 1749800 181.954 190.698 -62.6658 74.1623 77.2435 -168.694 1.36062 -168.948 111.665 PRESSAVG: 1749800 -15.6666 30.1852 9.1822 30.1852 12.6258 -27.2994 9.18221 -27.2995 0.150662 GPRESSAVG: 1749800 -16.6695 30.3463 7.52471 30.6436 13.6428 -28.9091 10.4688 -24.009 0.726362 TIMING: 1749800 CPU: 5073.38, 0.00288348/step Wall: 5073.38, 0.00288348/step, 2.6033 hours remaining, 208.871094 MB of memory in use. ENERGY: 1749800 734.0479 2051.5326 1996.1001 112.6508 -205877.5240 17794.6422 0.0000 0.0000 34334.9418 -148853.6086 299.8556 -183188.5504 -148757.5327 299.8010 93.0288 123.6208 557040.0083 -0.9634 -0.7668 PRESSURE: 1750000 -114.43 -113.594 143.771 -113.593 -191.846 -162.952 143.771 -162.952 25.7619 GPRESSURE: 1750000 -75.711 -88.3053 167.116 -112.932 -178.305 -96.8008 120.751 -180.415 65.7202 PRESSAVG: 1750000 -43.72 26.5405 -1.04248 26.5405 4.25614 9.04396 -1.04248 9.04395 44.8467 GPRESSAVG: 1750000 -43.405 25.7347 0.297261 26.4185 4.10265 11.0571 -2.42836 6.43483 44.4754 TIMING: 1750000 CPU: 5073.96, 0.00288594/step Wall: 5073.96, 0.00288594/step, 2.60536 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1750000 739.6942 2119.1669 2011.6587 114.0288 -205730.5904 17521.1268 0.0000 0.0000 34420.6408 -148804.2741 300.6040 -183224.9150 -148709.1491 300.5332 -93.5049 -62.7652 557989.6973 1.7943 1.7244 PRESSURE: 1750200 37.4664 -107.467 42.459 -107.468 -184.207 59.1483 42.4591 59.149 -114.803 GPRESSURE: 1750200 121.861 -165.752 52.0381 -58.0341 -164.733 0.575974 -5.61188 43.0122 -137.892 PRESSAVG: 1750200 18.2193 7.38769 -46.9577 7.38764 30.2632 55.5503 -46.9577 55.5503 28.7414 GPRESSAVG: 1750200 19.2759 10.2097 -46.0552 4.28156 29.6833 53.2282 -47.408 55.4029 28.2613 TIMING: 1750200 CPU: 5074.54, 0.00288401/step Wall: 5074.54, 0.00288401/step, 2.60346 hours remaining, 208.871094 MB of memory in use. ENERGY: 1750200 748.0875 2127.2641 1983.6109 113.6686 -205645.7414 17541.4283 0.0000 0.0000 34282.6709 -148849.0112 299.3991 -183131.6821 -148733.7371 300.0100 -87.1811 -60.2546 557048.5499 25.7413 25.7401 PRESSURE: 1750400 -43.858 -88.8184 93.9103 -88.8199 -120.15 -2.20797 93.9103 -2.20848 260.059 GPRESSURE: 1750400 30.8085 -79.1891 98.5649 -102.293 -86.9382 -90.0627 68.377 61.9678 247.191 PRESSAVG: 1750400 -2.54527 12.023 -36.2369 12.0229 -46.4959 -35.8681 -36.2369 -35.8681 -6.61403 GPRESSAVG: 1750400 -2.61098 10.6787 -36.5537 14.2825 -46.0264 -34.9966 -36.357 -35.5143 -6.84841 TIMING: 1750400 CPU: 5075.11, 0.00289135/step Wall: 5075.11, 0.00289135/step, 2.60993 hours remaining, 208.871094 MB of memory in use. ENERGY: 1750400 759.0810 2147.3756 1971.6798 102.1137 -205890.6538 17910.0803 0.0000 0.0000 34298.6006 -148701.7230 299.5382 -183000.3235 -148605.8135 300.1166 32.0170 63.6870 558222.9488 -18.5517 -18.4953 PRESSURE: 1750600 -244.319 7.73143 -53.0812 7.7313 -81.5996 18.793 -53.0816 18.7932 179.792 GPRESSURE: 1750600 -175.534 19.237 -193.896 11.3607 -110.988 55.1279 44.0299 -57.764 217.237 PRESSAVG: 1750600 -33.5789 -20.1767 -23.5298 -20.1767 -26.9011 -10.2781 -23.5299 -10.278 75.2861 GPRESSAVG: 1750600 -33.5371 -20.8874 -25.4044 -19.3795 -27.4844 -10.0389 -20.6829 -9.61989 75.3886 TIMING: 1750600 CPU: 5075.69, 0.00287322/step Wall: 5075.69, 0.00287322/step, 2.5934 hours remaining, 208.871094 MB of memory in use. ENERGY: 1750600 717.7578 2130.0569 1966.8735 118.6432 -205956.7329 17680.0491 0.0000 0.0000 34449.8420 -148893.5103 300.8590 -183343.3523 -148797.4223 300.4838 -48.7089 -23.0949 557963.7357 4.9354 4.7890 PRESSURE: 1750800 -70.7678 -145.45 -0.701471 -145.449 -98.877 -113.061 -0.702242 -113.06 66.5459 GPRESSURE: 1750800 -56.8888 -60.56 50.7194 -178.651 -60.7524 2.02303 -7.81658 -147.147 105.986 PRESSAVG: 1750800 -9.82243 17.6333 5.40047 17.6333 21.0896 -48.6454 5.40045 -48.6454 -41.3401 GPRESSAVG: 1750800 -10.3853 18.3451 7.20129 15.899 21.019 -47.2588 2.7312 -49.2125 -40.7991 TIMING: 1750800 CPU: 5076.27, 0.00289015/step Wall: 5076.27, 0.00289015/step, 2.60852 hours remaining, 208.871094 MB of memory in use. ENERGY: 1750800 748.7675 2125.7339 1948.0070 114.4477 -206262.2974 17816.8251 0.0000 0.0000 34574.4074 -148934.1087 301.9469 -183508.5161 -148843.0948 299.6197 -34.3663 -3.8851 557208.0070 -10.0243 -10.0551 PRESSURE: 1751000 -133.688 -31.2752 -165.542 -31.2762 -230.876 101.925 -165.544 101.925 175.171 GPRESSURE: 1751000 -95.4859 -85.0117 -171.924 -52.7472 -176.239 81.1511 -148.179 70.6881 186.425 PRESSAVG: 1751000 -39.2565 -9.98529 48.9442 -9.98535 -0.802484 -5.61605 48.9443 -5.61609 73.5085 GPRESSAVG: 1751000 -39.7564 -13.4753 48.9765 -9.37669 -1.07522 -7.82457 48.9836 -4.0962 73.9382 TIMING: 1751000 CPU: 5076.85, 0.00289111/step Wall: 5076.85, 0.00289111/step, 2.60922 hours remaining, 208.871094 MB of memory in use. ENERGY: 1751000 724.9114 2082.6496 1961.6347 108.0495 -205844.4168 17728.6686 0.0000 0.0000 34391.5045 -148846.9985 300.3496 -183238.5030 -148751.1028 299.6676 -63.1309 -28.4332 558818.2346 11.1498 11.0355 PRESSURE: 1751200 -293.928 -93.4455 111.644 -93.4445 -206.409 166.101 111.645 166.1 -44.9018 GPRESSURE: 1751200 -189.949 -146.534 95.2046 -55.218 -154.39 173.748 166.388 142.442 -108.044 PRESSAVG: 1751200 -73.8884 -40.7632 2.28423 -40.7632 17.6998 14.3504 2.28424 14.3504 78.0048 GPRESSAVG: 1751200 -73.9774 -39.509 1.13676 -40.0264 18.4414 15.7791 3.43802 13.4033 77.4042 TIMING: 1751200 CPU: 5077.43, 0.00291038/step Wall: 5077.43, 0.00291038/step, 2.62645 hours remaining, 208.871094 MB of memory in use. ENERGY: 1751200 734.3414 2045.3592 1967.8565 111.6522 -205515.2236 17444.2720 0.0000 0.0000 34151.3248 -149060.4175 298.2520 -183211.7423 -148965.2763 299.7742 -181.7461 -150.7941 558819.4504 7.2721 7.2894 PRESSURE: 1751400 -129.515 26.4029 -229.196 26.4019 86.3154 -11.6078 -229.196 -11.6074 99.3115 GPRESSURE: 1751400 -58.3293 -1.17843 -286.993 67.7092 134.283 -7.37349 -128.802 -46.7213 72.3071 PRESSAVG: 1751400 -88.4005 -29.5805 7.2283 -29.5804 25.9132 14.9715 7.22835 14.9714 48.8336 GPRESSAVG: 1751400 -89.754 -29.6774 9.23718 -31.4015 26.3723 14.0496 6.82119 14.2747 49.8187 TIMING: 1751400 CPU: 5078.01, 0.00289397/step Wall: 5078.01, 0.00289397/step, 2.61149 hours remaining, 208.925781 MB of memory in use. ENERGY: 1751400 746.4686 2047.3632 1964.3887 118.4155 -206184.6898 17969.3338 0.0000 0.0000 34432.5488 -148906.1713 300.7080 -183338.7201 -148810.8400 300.0285 18.7040 49.4204 559207.2879 -4.5512 -4.5210 PRESSURE: 1751600 -54.7336 -179.213 -33.0272 -179.214 -221.568 -110.606 -33.0277 -110.606 -250.527 GPRESSURE: 1751600 -46.2176 -147.155 -94.9305 -216.807 -180.281 -137.127 38.2026 -101.591 -195.987 PRESSAVG: 1751600 -50.7278 -20.3895 57.3846 -20.3895 -16.1065 23.9086 57.3846 23.9085 59.1302 GPRESSAVG: 1751600 -51.5248 -20.3876 55.5889 -19.1082 -14.3813 24.5842 58.8081 23.6304 58.8008 TIMING: 1751600 CPU: 5078.59, 0.00289738/step Wall: 5078.59, 0.00289738/step, 2.6144 hours remaining, 208.925781 MB of memory in use. ENERGY: 1751600 797.3373 2062.3039 1935.3137 115.0218 -205810.4638 17684.1798 0.0000 0.0000 34142.5566 -149073.7506 298.1754 -183216.3071 -148981.5414 299.4947 -175.6094 -140.8283 557828.3694 -2.5680 -2.3684 PRESSURE: 1751800 -336.312 96.3024 31.0837 96.3011 -390.472 -30.401 31.0849 -30.4023 12.913 GPRESSURE: 1751800 -303.576 57.6412 20.0416 120.652 -357.109 -33.9644 26.2763 35.6195 55.5618 PRESSAVG: 1751800 -0.864338 -56.0882 43.0153 -56.0881 1.8142 11.476 43.0153 11.476 0.986337 GPRESSAVG: 1751800 0.714269 -55.5861 44.9119 -55.2453 -0.694622 10.3253 40.5955 12.8801 1.36685 TIMING: 1751800 CPU: 5079.16, 0.00289273/step Wall: 5079.16, 0.00289273/step, 2.61005 hours remaining, 208.925781 MB of memory in use. ENERGY: 1751800 744.0377 2013.9722 1945.3321 113.8693 -205942.7628 17651.9891 0.0000 0.0000 34454.3540 -149019.2083 300.8984 -183473.5624 -148925.8431 299.8131 -237.9571 -201.7078 559453.2112 0.6454 0.4622 PRESSURE: 1752000 -206.22 228.787 49.3101 228.787 -169.942 87.8861 49.3113 87.888 -374.244 GPRESSURE: 1752000 -186.373 124.259 65.9224 316.628 -137.328 34.0343 -28.4289 82.7956 -315.264 PRESSAVG: 1752000 -37.0627 -2.24689 30.1979 -2.24695 14.9867 9.27758 30.1979 9.27745 -13.5108 GPRESSAVG: 1752000 -36.87 -2.29899 29.9448 -3.13949 15.6833 9.72544 30.4679 7.85184 -14.4094 TIMING: 1752000 CPU: 5079.74, 0.00288032/step Wall: 5079.74, 0.00288032/step, 2.59869 hours remaining, 208.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1752000 724.0877 2121.2804 1973.1366 123.3973 -205240.0999 17154.0853 0.0000 0.0000 34282.6517 -148861.4609 299.3989 -183144.1125 -148761.3261 300.1344 -250.1351 -212.9882 559083.5292 -11.8623 -11.8653 PRESSURE: 1752200 -100.197 -67.2875 -64.5875 -67.2864 -225.419 -28.3226 -64.5868 -28.3233 -169.872 GPRESSURE: 1752200 -98.5905 -70.8198 -111.004 -34.1764 -183.506 -42.233 -67.8702 11.7109 -123.485 PRESSAVG: 1752200 1.17759 -32.2093 38.7491 -32.2093 -10.3681 52.6357 38.7491 52.6356 11.7378 GPRESSAVG: 1752200 -0.0792984 -32.3841 36.3205 -31.1633 -11.2355 52.1901 39.7234 51.7994 12.9023 TIMING: 1752200 CPU: 5080.32, 0.00287502/step Wall: 5080.32, 0.00287502/step, 2.59374 hours remaining, 208.925781 MB of memory in use. ENERGY: 1752200 761.5850 2133.4759 1963.1026 116.7320 -205613.0671 17465.0216 0.0000 0.0000 34315.0947 -148858.0552 299.6823 -183173.1499 -148764.2060 300.4497 -165.1631 -135.1938 558533.0263 0.8491 0.5292 LDB: ============= START OF LOAD BALANCING ============== 5083.7 LDB: ============== END OF LOAD BALANCING =============== 5083.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5083.7 LDB: ============= START OF LOAD BALANCING ============== 5083.99 LDB: Largest compute 4820 load 0.025715 is 21.8% of average load 0.117889 LDB: Average compute 0.001730 is 1.5% of average load 0.117889 LDB: TIME 5083.99 LOAD: AVG 0.117889 MAX 0.180905 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.668 MB LDB: TIME 5083.99 LOAD: AVG 0.117889 MAX 0.180905 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.867 MB LDB: TIME 5083.99 LOAD: AVG 0.117889 MAX 0.180905 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.867 MB LDB: ============== END OF LOAD BALANCING =============== 5083.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5084 PRESSURE: 1752400 -362.864 -34.0883 98.0599 -34.0882 -202.18 79.2334 98.0597 79.233 -58.3197 GPRESSURE: 1752400 -300.013 -59.4078 84.284 27.106 -136.679 92.3642 50.5323 105.679 -79.6166 PRESSAVG: 1752400 -38.4965 -28.1532 -9.2134 -28.1532 41.8503 -2.49931 -9.21333 -2.49922 7.09357 GPRESSAVG: 1752400 -37.1858 -26.876 -8.543 -29.0825 42.7345 -4.28104 -9.05687 -1.38659 5.35379 TIMING: 1752400 CPU: 5080.9, 0.00293801/step Wall: 5080.9, 0.00293801/step, 2.65041 hours remaining, 208.925781 MB of memory in use. ENERGY: 1752400 741.3449 2075.5620 1964.7160 111.4902 -205787.8358 17435.7848 0.0000 0.0000 34472.1413 -148986.7965 301.0538 -183458.9379 -148892.6207 300.5947 -207.7880 -172.1029 557898.8144 3.4825 3.6342 PRESSURE: 1752600 31.2915 -59.4257 59.9255 -59.425 -38.8944 104.911 59.9267 104.911 139.225 GPRESSURE: 1752600 10.1735 -75.834 14.9537 -45.6249 -2.50788 51.0199 164.382 116.602 237.662 PRESSAVG: 1752600 -69.0226 11.5162 33.4243 11.5162 116.684 1.23643 33.4243 1.23628 -7.56313 GPRESSAVG: 1752600 -69.6954 13.1525 34.7132 11.2014 117.112 3.12406 34.9518 0.399829 -7.70578 TIMING: 1752600 CPU: 5081.48, 0.00289286/step Wall: 5081.48, 0.00289286/step, 2.60952 hours remaining, 208.925781 MB of memory in use. ENERGY: 1752600 721.8184 2043.8654 1944.7161 109.7806 -206297.9044 17917.9700 0.0000 0.0000 34570.6224 -148989.1315 301.9138 -183559.7539 -148894.7155 300.3278 43.8741 81.7760 557658.5877 13.3662 13.2370 PRESSURE: 1752800 308.137 73.9547 7.09698 73.9553 18.3635 67.7297 7.09549 67.7321 -227.596 GPRESSURE: 1752800 342.474 63.7331 91.4295 141.065 48.1526 14.0254 12.7319 42.9453 -207.883 PRESSAVG: 1752800 69.2854 26.8064 3.85037 26.8064 -36.5158 80.5966 3.85033 80.5968 -16.478 GPRESSAVG: 1752800 69.5778 25.5644 4.01784 28.5629 -37.2948 81.3811 2.01932 80.6504 -15.8235 TIMING: 1752800 CPU: 5082.06, 0.00287292/step Wall: 5082.06, 0.00287292/step, 2.59137 hours remaining, 208.925781 MB of memory in use. ENERGY: 1752800 726.6815 2034.1744 1921.1193 111.1850 -205848.1463 17731.2685 0.0000 0.0000 34419.2141 -148904.5035 300.5916 -183323.7177 -148805.4958 299.6967 32.9682 60.9147 557482.0470 5.4305 5.4865 PRESSURE: 1753000 152.682 7.78117 86.1622 7.78042 -200.906 41.8558 86.1634 41.8543 -1.49986 GPRESSURE: 1753000 163.095 -13.268 89.6166 44.2722 -215.019 6.16682 77.9207 -9.54825 105.957 PRESSAVG: 1753000 36.0558 -27.1193 47.4541 -27.1194 -55.3305 2.95061 47.4541 2.95068 17.6808 GPRESSAVG: 1753000 36.1343 -27.7211 46.0426 -27.3845 -55.2208 3.09651 48.0247 2.95008 17.6927 TIMING: 1753000 CPU: 5082.63, 0.00287196/step Wall: 5082.63, 0.00287196/step, 2.59035 hours remaining, 208.925781 MB of memory in use. ENERGY: 1753000 793.3349 2060.2642 1932.0109 105.8903 -206403.7652 18060.9037 0.0000 0.0000 34514.0015 -148937.3597 301.4194 -183451.3612 -148844.1611 299.5301 -16.5744 18.0108 557996.2578 -0.5313 -0.4646 PRESSURE: 1753200 73.0522 26.8031 45.7197 26.803 -229.114 -23.2545 45.7204 -23.2548 -17.8336 GPRESSURE: 1753200 123.633 55.8379 26.0639 58.6195 -232.642 -5.27932 80.5929 49.6719 36.3105 PRESSAVG: 1753200 46.314 -11.8401 64.6219 -11.8401 -60.447 -8.0636 64.6219 -8.06363 5.5329 GPRESSAVG: 1753200 46.1496 -9.63895 65.1211 -13.2529 -61.1463 -10.5243 64.6559 -5.78809 6.35159 TIMING: 1753200 CPU: 5083.21, 0.00287354/step Wall: 5083.21, 0.00287354/step, 2.59161 hours remaining, 208.925781 MB of memory in use. ENERGY: 1753200 744.7538 2082.6581 1951.5773 108.6691 -205836.1235 17705.3809 0.0000 0.0000 34373.9066 -148869.1777 300.1959 -183243.0844 -148773.1260 300.1194 -57.9652 -24.2326 559380.3146 -2.8667 -2.8817 PRESSURE: 1753400 21.4793 -145.47 61.1104 -145.47 -181.457 94.4583 61.1116 94.4594 30.7074 GPRESSURE: 1753400 71.5457 -155.041 37.991 -187.199 -116.679 83.8212 68.5452 87.798 7.5272 PRESSAVG: 1753400 -24.0484 -10.2687 39.9134 -10.2686 -11.223 19.286 39.9133 19.2859 74.9457 GPRESSAVG: 1753400 -24.1257 -14.0251 40.7453 -7.34181 -10.2364 22.4302 37.9036 15.9106 74.3551 TIMING: 1753400 CPU: 5083.78, 0.00287095/step Wall: 5083.78, 0.00287095/step, 2.58912 hours remaining, 208.925781 MB of memory in use. ENERGY: 1753400 732.8933 2016.7641 1944.2084 103.8485 -206038.4340 17840.9164 0.0000 0.0000 34334.7531 -149065.0502 299.8539 -183399.8033 -148964.7820 300.1504 -43.0902 -12.5353 557653.5409 13.2248 13.3310 PRESSURE: 1753600 143.404 -151.588 -13.5773 -151.588 166.651 41.3933 -13.5788 41.3936 246.258 GPRESSURE: 1753600 188.249 -141.8 -17.8675 -133.537 222.885 25.2651 17.7689 28.2147 241.404 PRESSAVG: 1753600 24.4091 -30.0186 -23.0329 -30.0186 -27.389 3.98777 -23.0328 3.98781 25.5451 GPRESSAVG: 1753600 25.2617 -27.6803 -25.4413 -33.0532 -27.7075 0.900814 -19.5703 6.66703 25.3457 TIMING: 1753600 CPU: 5084.35, 0.00286983/step Wall: 5084.35, 0.00286983/step, 2.58795 hours remaining, 208.925781 MB of memory in use. ENERGY: 1753600 694.9879 2093.2550 1983.8605 104.8193 -206183.5408 18016.7898 0.0000 0.0000 34199.7112 -149090.1169 298.6746 -183289.8282 -148993.2792 299.3254 185.4378 217.5130 556782.0478 7.5217 7.6333 PRESSURE: 1753800 -147.879 -136.135 -72.6704 -136.135 -14.7825 -61.5013 -72.6699 -61.5005 -217.413 GPRESSURE: 1753800 -71.7302 -172.309 -12.1026 -95.1233 -15.3858 -147.508 -140.784 -71.6299 -195.025 PRESSAVG: 1753800 33.204 -37.0499 17.6459 -37.0498 -108.086 15.4352 17.646 15.4352 82.2118 GPRESSAVG: 1753800 32.8802 -39.2062 19.6899 -34.0207 -107.931 16.0513 15.0518 13.3722 81.8876 TIMING: 1753800 CPU: 5084.93, 0.00288118/step Wall: 5084.93, 0.00288118/step, 2.59802 hours remaining, 208.925781 MB of memory in use. ENERGY: 1753800 713.0065 2157.4486 1941.9059 119.3126 -205761.6416 17537.6146 0.0000 0.0000 34224.8810 -149067.4723 298.8944 -183292.3533 -148975.0140 299.1213 -126.6917 -94.0470 558836.8860 2.4433 2.2789 PRESSURE: 1754000 -78.887 96.9205 8.80268 96.9215 48.1418 34.3068 8.8016 34.3062 -223.792 GPRESSURE: 1754000 -17.2371 178.326 10.7565 91.5837 26.8952 67.1779 28.354 4.02326 -149.916 PRESSAVG: 1754000 55.2498 -48.8059 24.9134 -48.8059 -62.2573 -26.4668 24.9134 -26.4667 10.7144 GPRESSAVG: 1754000 56.0261 -47.8728 24.3264 -51.2931 -62.9459 -26.2253 25.7018 -25.7466 10.7358 TIMING: 1754000 CPU: 5085.5, 0.00286711/step Wall: 5085.5, 0.00286711/step, 2.58518 hours remaining, 208.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1754000 758.1577 2092.7053 1959.2460 108.1795 -206104.5473 17883.1251 0.0000 0.0000 34131.7603 -149171.3733 298.0812 -183303.1336 -149074.9180 299.7643 -84.8456 -46.7527 558684.9332 1.2356 1.2720 PRESSURE: 1754200 -172.595 -80.2744 57.979 -80.2751 -1.02995 -9.47387 57.9788 -9.47478 -18.3399 GPRESSURE: 1754200 -134.973 -37.0273 43.8341 0.328259 17.629 -26.1058 49.8025 100.473 29.8895 PRESSAVG: 1754200 -24.7833 17.6841 -8.46123 17.6842 -11.1378 -59.2961 -8.46112 -59.2962 21.9461 GPRESSAVG: 1754200 -25.9739 17.2838 -8.98426 18.9092 -10.7132 -60.0024 -9.6627 -57.8201 22.5636 TIMING: 1754200 CPU: 5086.08, 0.00286984/step Wall: 5086.08, 0.00286984/step, 2.58748 hours remaining, 208.925781 MB of memory in use. ENERGY: 1754200 774.4978 2140.9479 1983.7419 117.6614 -206561.6888 18089.6211 0.0000 0.0000 34381.3893 -149073.8295 300.2612 -183455.2188 -148984.3306 299.2218 -63.9884 -29.1516 558242.3360 -4.6583 -4.7078 PRESSURE: 1754400 -18.6284 -90.0223 -8.1192 -90.0229 99.1176 -85.0657 -8.11942 -85.0674 197.681 GPRESSURE: 1754400 50.292 -189.811 35.9987 -105.171 111.388 -107.982 30.9153 -95.443 204.853 PRESSAVG: 1754400 -35.1537 -2.0003 70.4121 -2.00042 -12.3726 -42.9797 70.4121 -42.9797 48.4399 GPRESSAVG: 1754400 -35.7185 -2.47346 68.5085 -1.62944 -11.9841 -39.6748 73.0396 -44.7881 48.5828 TIMING: 1754400 CPU: 5086.65, 0.00288906/step Wall: 5086.65, 0.00288906/step, 2.60465 hours remaining, 208.925781 MB of memory in use. ENERGY: 1754400 704.7442 2048.5533 1981.6703 116.8084 -206537.2909 18078.1541 0.0000 0.0000 34531.1707 -149076.1900 301.5693 -183607.3607 -148974.7208 300.2461 92.7234 122.1775 557828.5854 0.3045 0.2934 PRESSURE: 1754600 -33.6793 -96.0359 141.488 -96.0347 63.7482 -26.0179 141.487 -26.0202 168.331 GPRESSURE: 1754600 -19.2275 -115.526 117.251 -132 167.706 -71.1805 168.077 3.28996 151.863 PRESSAVG: 1754600 -3.15891 -23.1878 45.2324 -23.1878 -4.9553 -73.929 45.2323 -73.929 25.7518 GPRESSAVG: 1754600 -2.679 -22.4269 47.1795 -23.714 -4.88671 -76.2122 43.1346 -72.8872 25.6412 TIMING: 1754600 CPU: 5087.24, 0.00291895/step Wall: 5087.24, 0.00291895/step, 2.63143 hours remaining, 209.128906 MB of memory in use. ENERGY: 1754600 741.9621 2109.1673 1952.2991 117.4108 -206049.9257 17797.9167 0.0000 0.0000 34105.3635 -149225.8061 297.8506 -183331.1697 -149125.1730 298.9315 66.1333 100.1136 555550.6427 5.8792 6.0251 PRESSURE: 1754800 87.6987 83.5477 -20.5691 83.5477 -100.414 15.5306 -20.5689 15.5307 -62.1115 GPRESSURE: 1754800 92.0592 67.256 -9.06545 65.899 -59.8539 73.4742 2.94466 68.3481 -9.9239 PRESSAVG: 1754800 38.1106 -34.9447 -12.7216 -34.9447 14.1646 2.07767 -12.7216 2.07754 -21.4787 GPRESSAVG: 1754800 38.6239 -33.8584 -11.3698 -36.1649 15.6761 3.89939 -13.099 -0.239942 -23.0549 TIMING: 1754800 CPU: 5087.82, 0.00289555/step Wall: 5087.82, 0.00289555/step, 2.61018 hours remaining, 209.128906 MB of memory in use. ENERGY: 1754800 697.5120 2063.7594 1963.9081 115.2204 -206223.6753 17837.8305 0.0000 0.0000 34398.6491 -149146.7958 300.4120 -183545.4449 -149047.9538 299.5765 -24.9424 7.4271 557147.9760 10.2655 10.4150 PRESSURE: 1755000 -279.289 -198.574 -71.1936 -198.573 -87.6302 13.4686 -71.1947 13.4687 202.193 GPRESSURE: 1755000 -242.32 -229.674 -56.3057 -120.565 -102.203 27.541 -108.995 155.103 273.559 PRESSAVG: 1755000 -124.805 28.2619 -16.0072 28.2618 47.0916 -34.3366 -16.0072 -34.3366 55.4331 GPRESSAVG: 1755000 -124.224 26.097 -20.2072 29.8658 45.0506 -35.6894 -15.0111 -32.505 56.5421 TIMING: 1755000 CPU: 5088.4, 0.00288843/step Wall: 5088.4, 0.00288843/step, 2.6036 hours remaining, 209.128906 MB of memory in use. ENERGY: 1755000 782.5474 2067.7387 1982.2484 107.6489 -206194.8396 17704.8326 0.0000 0.0000 34383.0188 -149166.8046 300.2755 -183549.8234 -149064.9491 299.4760 -54.9087 -23.6544 556969.4471 -7.4269 -7.5437 PRESSURE: 1755200 131.728 -79.2078 -181.306 -79.2087 325.238 76.0606 -181.306 76.0606 -168.638 GPRESSURE: 1755200 102.349 -42.5938 -195.612 -37.4731 341.488 -17.6714 -142.48 -7.61145 -63.0817 PRESSAVG: 1755200 12.5456 9.51164 -29.858 9.51158 -26.6774 -23.07 -29.858 -23.0701 24.0091 GPRESSAVG: 1755200 11.6176 9.66818 -27.2081 8.04768 -25.4029 -22.9713 -29.417 -24.2844 23.6697 TIMING: 1755200 CPU: 5088.98, 0.00289962/step Wall: 5088.98, 0.00289962/step, 2.61352 hours remaining, 209.128906 MB of memory in use. ENERGY: 1755200 716.3483 2126.8840 1980.2400 114.3955 -206358.4575 17809.0161 0.0000 0.0000 34343.3239 -149268.2496 299.9288 -183611.5735 -149167.4280 299.6283 96.1092 126.9183 557110.4072 3.2925 3.2948 PRESSURE: 1755400 37.2671 71.1471 63.9262 71.1475 -61.456 96.1344 63.9263 96.1334 -175.099 GPRESSURE: 1755400 94.9239 166.049 76.9061 98.6635 -16.459 109.989 102.752 96.3569 -180.949 PRESSAVG: 1755400 2.35367 -0.764554 -38.3139 -0.764536 -27.5846 34.766 -38.3141 34.766 31.3035 GPRESSAVG: 1755400 3.95406 0.366956 -39.8013 0.351897 -29.0395 34.1098 -40.0759 34.7685 31.4816 TIMING: 1755400 CPU: 5089.55, 0.00289737/step Wall: 5089.55, 0.00289737/step, 2.61133 hours remaining, 209.128906 MB of memory in use. ENERGY: 1755400 767.3785 2121.5201 1958.4962 124.9126 -206191.4616 17765.2652 0.0000 0.0000 34136.7560 -149317.1330 298.1248 -183453.8890 -149220.8838 299.3000 -66.4291 -34.1615 557761.5356 2.0242 2.1320 PRESSURE: 1755600 529.054 -51.4286 -99.7336 -51.4303 216.352 0.463674 -99.7336 0.461293 9.26392 GPRESSURE: 1755600 576.733 -36.5411 -105.493 -36.1333 198.994 16.7218 -121.292 20.5362 76.7107 PRESSAVG: 1755600 89.2472 -3.88934 -52.3102 -3.88939 -39.4061 25.56 -52.3102 25.56 -59.7814 GPRESSAVG: 1755600 88.1317 -4.61719 -49.8714 -3.30875 -39.3175 25.9898 -51.4557 28.1057 -58.9813 TIMING: 1755600 CPU: 5090.13, 0.00289775/step Wall: 5090.13, 0.00289775/step, 2.61151 hours remaining, 209.128906 MB of memory in use. ENERGY: 1755600 714.3299 2067.0310 1945.5587 109.7095 -206501.0273 18201.8459 0.0000 0.0000 33987.5792 -149474.9730 296.8220 -183462.5522 -149375.4311 298.6560 251.5566 284.1459 558404.6970 -3.3134 -3.3890 PRESSURE: 1755800 -194.947 9.79039 71.2049 9.7899 319.01 108.289 71.2039 108.288 15.8742 GPRESSURE: 1755800 -200.084 -4.62625 18.9068 -53.323 365.801 221.416 68.5688 43.8363 72.6355 PRESSAVG: 1755800 61.5182 -24.5018 -22.2425 -24.5018 -39.1644 35.8051 -22.2426 35.8051 -17.7229 GPRESSAVG: 1755800 61.7609 -22.5432 -23.1752 -26.4127 -39.0881 34.7076 -23.2034 34.4168 -18.2083 TIMING: 1755800 CPU: 5090.72, 0.00292439/step Wall: 5090.72, 0.00292439/step, 2.63537 hours remaining, 209.128906 MB of memory in use. ENERGY: 1755800 732.7330 2071.8581 1960.7105 120.0960 -206366.2853 17929.8302 0.0000 0.0000 34150.0978 -149400.9595 298.2413 -183551.0573 -149306.0667 298.7880 46.6459 79.4509 557900.9231 1.5436 1.4882 PRESSURE: 1756000 -34.1237 54.6652 -5.19603 54.6655 227.109 -64.469 -5.19454 -64.4682 74.4934 GPRESSURE: 1756000 34.5286 114.965 19.5811 -43.6981 204.83 7.42817 20.1631 -7.66031 124.324 PRESSAVG: 1756000 10.5841 35.9607 -56.0234 35.9608 47.1891 44.7511 -56.0234 44.7509 -25.8959 GPRESSAVG: 1756000 10.7178 33.5768 -57.5512 38.2583 47.3708 47.4314 -56.157 44.241 -26.2119 TIMING: 1756000 CPU: 5091.3, 0.00288147/step Wall: 5091.3, 0.00288147/step, 2.59653 hours remaining, 209.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1756000 726.1198 2099.1301 1937.6861 123.6673 -206495.2421 17993.7416 0.0000 0.0000 34332.2702 -149282.6271 299.8323 -183614.8973 -149182.1510 298.2359 89.1594 121.2275 558308.5554 10.6257 10.6255 PRESSURE: 1756200 112.492 72.3139 -50.4163 72.313 -3.32634 -165.746 -50.4149 -165.745 -193.864 GPRESSURE: 1756200 177.493 81.8654 6.83492 100.417 46.3432 -128.779 -105.27 -163.179 -212.874 PRESSAVG: 1756200 25.3586 2.01347 -38.7542 2.01341 -52.9883 7.36573 -38.7541 7.36569 22.2893 GPRESSAVG: 1756200 25.6841 0.876852 -36.4206 0.541435 -52.6373 4.1576 -38.2758 8.78706 21.5394 TIMING: 1756200 CPU: 5091.87, 0.0028825/step Wall: 5091.87, 0.0028825/step, 2.59729 hours remaining, 209.128906 MB of memory in use. ENERGY: 1756200 755.7897 2079.7399 1965.4915 114.5295 -206072.4127 17827.2906 0.0000 0.0000 33990.4611 -149339.1104 296.8472 -183329.5715 -149243.5601 298.6211 -28.2327 3.6542 557433.5177 -1.7801 -1.8046 LDB: ============= START OF LOAD BALANCING ============== 5095.26 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5095.26 LDB: =============== DONE WITH MIGRATION ================ 5095.26 LDB: ============= START OF LOAD BALANCING ============== 5095.55 LDB: Largest compute 4820 load 0.025208 is 21.4% of average load 0.117926 LDB: Average compute 0.001721 is 1.5% of average load 0.117926 LDB: TIME 5095.55 LOAD: AVG 0.117926 MAX 0.17939 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.121 MB LDB: TIME 5095.55 LOAD: AVG 0.117926 MAX 0.17939 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.121 MB LDB: TIME 5095.55 LOAD: AVG 0.117926 MAX 0.17939 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.121 MB LDB: ============== END OF LOAD BALANCING =============== 5095.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5095.56 PRESSURE: 1756400 -348.868 -10.3551 62.3712 -10.3555 -98.8384 5.73493 62.3726 5.73302 67.242 GPRESSURE: 1756400 -259.68 -75.0833 -7.53652 67.7977 -67.0285 21.3217 116.793 19.3634 51.4636 PRESSAVG: 1756400 36.6236 -2.55911 -58.1522 -2.55922 -60.8063 -81.2589 -58.1523 -81.259 12.8493 GPRESSAVG: 1756400 36.6487 -0.646422 -60.74 -1.16959 -61.9579 -79.9415 -56.317 -83.1951 14.8241 TIMING: 1756400 CPU: 5092.46, 0.00295359/step Wall: 5092.46, 0.00295359/step, 2.66118 hours remaining, 210.414062 MB of memory in use. ENERGY: 1756400 763.7479 2093.0344 1975.2846 101.0597 -206309.6909 17832.6147 0.0000 0.0000 34349.6696 -149194.2801 299.9842 -183543.9496 -149093.2066 299.0145 -126.8215 -91.7484 558740.2084 -3.7778 -3.4950 PRESSURE: 1756600 86.3451 153.728 -42.3622 153.728 84.6957 47.6709 -42.361 47.6699 -109.833 GPRESSURE: 1756600 112.122 181.63 -175.242 140.123 74.9072 45.6191 -48.7769 5.99101 -31.3422 PRESSAVG: 1756600 -39.834 49.4816 4.39253 49.4817 23.1591 -22.9706 4.39261 -22.9705 29.6615 GPRESSAVG: 1756600 -40.0218 49.7134 4.77024 46.4808 23.5803 -21.6649 2.73764 -20.9255 28.8891 TIMING: 1756600 CPU: 5093.04, 0.0029012/step Wall: 5093.04, 0.0029012/step, 2.61382 hours remaining, 210.484375 MB of memory in use. ENERGY: 1756600 753.2123 2030.1007 1990.6286 119.9438 -206120.8343 17823.3630 0.0000 0.0000 34313.8884 -149089.6976 299.6717 -183403.5859 -148994.9177 299.2515 20.4026 51.8958 558256.6361 4.3289 4.1492 PRESSURE: 1756800 63.0681 46.5487 -33.8345 46.5485 46.9976 -63.6743 -33.8345 -63.6751 -220.407 GPRESSURE: 1756800 84.3349 0.471619 37.9654 175.831 138.355 -51.428 12.2315 -67.2062 -238.216 PRESSAVG: 1756800 60.515 70.965 14.5325 70.965 -14.4353 -12.2733 14.5324 -12.2734 -31.7143 GPRESSAVG: 1756800 61.1378 72.26 17.0026 70.8846 -14.1435 -11.1794 12.9453 -15.0377 -33.0844 TIMING: 1756800 CPU: 5093.62, 0.00290494/step Wall: 5093.62, 0.00290494/step, 2.61703 hours remaining, 210.535156 MB of memory in use. ENERGY: 1756800 823.1594 2110.8926 1932.9497 113.0595 -206302.9269 17794.6387 0.0000 0.0000 34487.2604 -149040.9666 301.1858 -183528.2270 -148945.9684 300.1390 -36.7805 -5.1757 558783.4450 4.7884 4.6366 PRESSURE: 1757000 4.48565 9.76683 204.986 9.76622 95.491 -82.9816 204.986 -82.982 157.017 GPRESSURE: 1757000 73.1468 -3.85578 206.422 -29.2574 107.935 -113.475 120.376 -62.7384 174.835 PRESSAVG: 1757000 40.9334 41.9285 11.2267 41.9284 11.8837 -39.0526 11.2267 -39.0524 -50.8353 GPRESSAVG: 1757000 39.557 40.5366 9.50527 44.3775 11.8167 -42.7913 12.5966 -36.9358 -49.6367 TIMING: 1757000 CPU: 5094.2, 0.00290199/step Wall: 5094.2, 0.00290199/step, 2.61421 hours remaining, 210.535156 MB of memory in use. ENERGY: 1757000 728.0067 2101.8271 1939.7120 122.4237 -206087.8716 17803.2248 0.0000 0.0000 34459.3656 -148933.3117 300.9422 -183392.6773 -148839.5257 300.0211 85.6644 118.6391 557755.9999 0.6606 0.5790 PRESSURE: 1757200 -203.451 38.569 83.2081 38.5688 -56.2795 -23.8131 83.208 -23.8118 -34.8674 GPRESSURE: 1757200 -121.404 78.8902 115.279 19.0224 -90.2962 -69.8356 83.8776 90.3386 10.6788 PRESSAVG: 1757200 26.3824 -11.0156 10.5737 -11.0155 -21.7322 -29.3935 10.5736 -29.3934 -3.10994 GPRESSAVG: 1757200 26.2725 -12.582 10.1633 -11.1785 -22.0697 -28.9007 11.5617 -27.2803 -2.74781 TIMING: 1757200 CPU: 5094.78, 0.00287219/step Wall: 5094.78, 0.00287219/step, 2.5872 hours remaining, 210.535156 MB of memory in use. ENERGY: 1757200 731.9856 2079.7418 1980.0753 118.1942 -206025.4436 17696.9143 0.0000 0.0000 34247.4887 -149171.0438 299.0918 -183418.5325 -149068.1365 299.9744 -98.1993 -67.0072 558289.5948 0.5134 0.4850 PRESSURE: 1757400 44.1257 2.68716 -114.146 2.68709 23.4117 -75.1464 -114.146 -75.1454 84.9834 GPRESSURE: 1757400 33.1587 117.8 -124.007 -92.5075 70.7107 -84.3975 -112.128 -79.2422 149.885 PRESSAVG: 1757400 -28.5434 29.6274 -40.9372 29.6274 13.2986 -76.7224 -40.9373 -76.7223 65.6024 GPRESSAVG: 1757400 -28.1116 30.7854 -40.1193 27.9202 13.9312 -77.1704 -45.1683 -79.8144 64.2656 TIMING: 1757400 CPU: 5095.35, 0.00287551/step Wall: 5095.35, 0.00287551/step, 2.59003 hours remaining, 210.535156 MB of memory in use. ENERGY: 1757400 744.1460 2082.0663 1970.6295 105.9165 -206458.4902 18011.2813 0.0000 0.0000 34310.0832 -149234.3675 299.6385 -183544.4507 -149132.4090 299.3956 50.8402 84.5847 557920.0274 16.7859 16.6951 PRESSURE: 1757600 -277.686 28.8526 -106.456 28.8528 262.583 12.2297 -106.457 12.2295 -4.5652 GPRESSURE: 1757600 -223.092 36.1465 -82.0273 -25.5369 259.597 19.0755 -131.809 -11.6744 47.7244 PRESSAVG: 1757600 -0.77745 -11.7078 -26.9429 -11.7078 33.1895 9.97061 -26.943 9.97053 17.9827 GPRESSAVG: 1757600 -0.491598 -12.3266 -27.5849 -10.5969 33.0535 11.5918 -22.7882 10.6245 17.4314 TIMING: 1757600 CPU: 5095.93, 0.00287485/step Wall: 5095.93, 0.00287485/step, 2.58928 hours remaining, 210.535156 MB of memory in use. ENERGY: 1757600 752.5755 2062.3028 1969.1384 108.5443 -206215.6887 17735.3393 0.0000 0.0000 34390.2109 -149197.5775 300.3383 -183587.7884 -149106.6698 299.6206 -6.5559 28.0763 558139.1496 16.7983 16.6644 PRESSURE: 1757800 281.434 -0.509649 26.1586 -0.509627 -19.4934 -21.0276 26.1581 -21.03 118.276 GPRESSURE: 1757800 298.641 -71.8345 41.7408 -10.4023 32.9106 2.09997 100.508 -57.6884 141.819 PRESSAVG: 1757800 -16.2932 50.8703 2.39821 50.8703 5.38377 -10.3203 2.39816 -10.3203 7.37693 GPRESSAVG: 1757800 -18.1842 52.2982 2.18928 51.6365 5.27059 -9.91206 2.47437 -10.5683 9.0877 TIMING: 1757800 CPU: 5096.5, 0.00287428/step Wall: 5096.5, 0.00287428/step, 2.58861 hours remaining, 210.535156 MB of memory in use. ENERGY: 1757800 736.5743 2088.2254 1965.0691 116.4508 -206593.3638 18090.5042 0.0000 0.0000 34318.8308 -149277.7093 299.7149 -183596.5401 -149181.3193 299.7865 126.7389 157.7902 558465.5858 -1.1775 -1.2753 PRESSURE: 1758000 -221.675 -125.594 85.1476 -125.593 -299.605 -154.577 85.1472 -154.577 10.716 GPRESSURE: 1758000 -227.421 -184.99 26.3265 -150.758 -223.921 -120.607 130.174 -170.013 42.6229 PRESSAVG: 1758000 3.85856 -8.70318 20.7412 -8.70314 24.4614 -42.5314 20.7411 -42.5315 -35.3687 GPRESSAVG: 1758000 5.67874 -9.46772 20.9958 -8.26529 25.0326 -44.825 20.472 -41.2916 -37.5417 TIMING: 1758000 CPU: 5097.08, 0.00287727/step Wall: 5097.08, 0.00287727/step, 2.59115 hours remaining, 210.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1758000 731.9405 2069.4327 1973.6327 134.4146 -206259.8199 17674.9927 0.0000 0.0000 34395.1299 -149280.2769 300.3812 -183675.4068 -149178.9591 299.5327 -170.1880 -136.2396 557431.5682 -2.3496 -2.2768 PRESSURE: 1758200 -46.1858 -32.4364 -54.2003 -32.4359 -124.566 -63.2098 -54.1997 -63.2114 228.653 GPRESSURE: 1758200 16.1738 -1.65796 -12.3889 -2.25058 -118.401 -100.807 -121.917 -120.92 268.998 PRESSAVG: 1758200 -8.01598 -31.7305 -8.60397 -31.7304 44.9575 -69.2974 -8.60408 -69.2973 -54.6454 GPRESSAVG: 1758200 -8.23811 -32.1986 -8.7715 -31.2684 44.1116 -69.4622 -9.65301 -71.421 -53.8569 TIMING: 1758200 CPU: 5097.66, 0.00289664/step Wall: 5097.66, 0.00289664/step, 2.60842 hours remaining, 210.535156 MB of memory in use. ENERGY: 1758200 722.1092 2109.5175 1965.0493 112.9992 -206021.2271 17755.2468 0.0000 0.0000 34317.3297 -149038.9754 299.7018 -183356.3051 -148952.6305 299.4740 19.3006 55.5902 556103.6159 -5.9013 -5.9945 PRESSURE: 1758400 1.86575 67.5647 89.9259 67.5646 -117.995 -23.4809 89.9263 -23.4804 -113.899 GPRESSURE: 1758400 26.5792 128.54 167.05 49.3866 -93.44 70.3039 42.9958 -57.6364 -70.3147 PRESSAVG: 1758400 -27.4267 -19.112 31.12 -19.1119 58.3025 -15.4128 31.1199 -15.4127 -47.335 GPRESSAVG: 1758400 -27.8674 -17.4721 32.9407 -19.6148 57.9849 -15.2928 30.5455 -14.4625 -46.4286 TIMING: 1758400 CPU: 5098.24, 0.00288231/step Wall: 5098.24, 0.00288231/step, 2.59536 hours remaining, 210.535156 MB of memory in use. ENERGY: 1758400 775.9896 2050.4817 1979.2572 108.3498 -206001.9103 17780.7927 0.0000 0.0000 34311.5358 -148995.5034 299.6512 -183307.0392 -148893.6134 300.3371 -76.6760 -45.7252 556976.8392 -5.4864 -5.4370 PRESSURE: 1758600 125.833 44.5383 -28.6581 44.5382 24.6354 0.634545 -28.658 0.634399 257.728 GPRESSURE: 1758600 213.668 46.6758 -36.2715 125.344 52.6589 28.3162 93.8569 50.2667 242.616 PRESSAVG: 1758600 -22.9953 24.7012 -14.5776 24.7012 59.9748 -40.2776 -14.5775 -40.2776 -38.9746 GPRESSAVG: 1758600 -21.4018 23.9865 -17.0889 24.8643 60.2968 -38.1543 -12.3223 -41.1267 -40.6678 TIMING: 1758600 CPU: 5098.81, 0.00285777/step Wall: 5098.81, 0.00285777/step, 2.57311 hours remaining, 210.535156 MB of memory in use. ENERGY: 1758600 725.6316 2065.7663 1977.4693 108.7593 -206331.1197 17974.9842 0.0000 0.0000 34209.4881 -149269.0207 298.7600 -183478.5088 -149172.8311 299.4103 136.0656 169.6477 556872.2896 -0.6650 -0.5910 PRESSURE: 1758800 -21.4979 -240.603 108.572 -240.602 -219.689 68.6499 108.572 68.6497 -194.546 GPRESSURE: 1758800 -11.7659 -250.634 140.097 -105.161 -166.831 27.9319 46.1242 97.537 -150.729 PRESSAVG: 1758800 39.9627 -27.0033 -1.88294 -27.0032 -27.3924 3.22305 -1.88296 3.22318 -21.3919 GPRESSAVG: 1758800 38.9233 -25.4462 -0.0512345 -28.2424 -28.1075 3.26096 -4.72098 2.53187 -19.7556 TIMING: 1758800 CPU: 5099.38, 0.00286557/step Wall: 5099.38, 0.00286557/step, 2.57997 hours remaining, 210.535156 MB of memory in use. ENERGY: 1758800 759.0301 2077.1523 1950.1157 122.5930 -206062.1547 17533.3599 0.0000 0.0000 34304.6614 -149315.2424 299.5911 -183619.9037 -149219.9024 299.2876 -145.2443 -109.7753 555864.2245 -2.9405 -2.9799 PRESSURE: 1759000 -119.567 44.2293 -57.5247 44.2283 -15.7079 -91.1146 -57.5243 -91.1145 -90.6386 GPRESSURE: 1759000 -60.314 86.5646 -49.838 -44.1533 7.59568 -124.602 -45.26 -86.2496 -66.7629 PRESSAVG: 1759000 -8.59916 15.2943 9.0839 15.2943 -29.0497 34.5705 9.08401 34.5704 54.0673 GPRESSAVG: 1759000 -8.84176 13.0559 7.72745 15.2855 -28.2198 33.308 7.97302 33.8092 53.3772 TIMING: 1759000 CPU: 5099.96, 0.00288775/step Wall: 5099.96, 0.00288775/step, 2.59978 hours remaining, 210.535156 MB of memory in use. ENERGY: 1759000 777.6006 2060.6416 1976.7724 101.5818 -206435.1877 17813.2884 0.0000 0.0000 34320.8402 -149384.4627 299.7324 -183705.3030 -149287.6216 298.8550 -75.3046 -39.8271 557287.1435 5.4728 5.4385 PRESSURE: 1759200 -312.031 56.8887 5.13066 56.8879 -92.0629 3.12652 5.13124 3.12423 -401.084 GPRESSURE: 1759200 -265.483 37.8349 15.2222 78.03 -64.016 54.3928 30.8507 -75.1946 -380.466 PRESSAVG: 1759200 8.09506 6.18134 42.498 6.18131 24.2087 24.3235 42.498 24.3235 -58.2594 GPRESSAVG: 1759200 8.51713 6.29089 43.3767 7.42904 24.5553 24.2857 47.0957 25.4905 -59.4597 TIMING: 1759200 CPU: 5100.53, 0.00287901/step Wall: 5100.53, 0.00287901/step, 2.59175 hours remaining, 210.535156 MB of memory in use. ENERGY: 1759200 712.1064 2104.9051 1952.6940 112.3024 -205987.6474 17435.6946 0.0000 0.0000 34161.0758 -149508.8691 298.3372 -183669.9449 -149408.0920 298.3272 -268.3929 -236.6548 557684.4119 -8.6519 -8.7958 PRESSURE: 1759400 -530.959 -121.327 -90.4925 -121.328 -291.655 13.941 -90.4915 13.942 -143.879 GPRESSURE: 1759400 -410.447 -73.5797 -52.1752 -231.529 -263.08 49.551 -155.167 36.0358 -206.757 PRESSAVG: 1759400 -43.7885 -60.9304 8.35878 -60.9304 -34.7708 -6.85742 8.35884 -6.85732 37.6738 GPRESSAVG: 1759400 -44.0219 -61.963 8.39718 -62.8597 -34.476 -6.60011 5.27117 -5.10129 36.9647 TIMING: 1759400 CPU: 5101.11, 0.00288595/step Wall: 5101.11, 0.00288595/step, 2.59783 hours remaining, 210.535156 MB of memory in use. ENERGY: 1759400 752.1998 1981.8195 1985.4220 116.8153 -205736.0502 17365.4174 0.0000 0.0000 34057.3569 -149477.0192 297.4314 -183534.3762 -149376.6765 298.2858 -322.1643 -293.4281 557484.1049 -13.6285 -13.8444 PRESSURE: 1759600 -292.323 38.5464 3.13054 38.5469 -143.816 -137.321 3.13076 -137.32 -18.807 GPRESSURE: 1759600 -236.641 55.7626 5.04055 94.4726 -98.4471 -104.977 -15.8987 -100.046 -27.9963 PRESSAVG: 1759600 -45.0916 -33.7758 -35.9081 -33.7757 21.2586 -35.1255 -35.908 -35.1254 52.5935 GPRESSAVG: 1759600 -45.0267 -31.7108 -36.2635 -34.4823 20.0315 -35.3358 -34.3017 -35.2952 53.8759 TIMING: 1759600 CPU: 5101.69, 0.00287525/step Wall: 5101.69, 0.00287525/step, 2.58804 hours remaining, 210.535156 MB of memory in use. ENERGY: 1759600 741.6053 2145.7807 1970.4746 109.5167 -206403.0301 17626.4435 0.0000 0.0000 34222.7682 -149586.4410 298.8759 -183809.2092 -149489.8705 297.9921 -151.6486 -121.0280 558108.9825 9.5868 9.6269 PRESSURE: 1759800 -70.4565 -119.593 -103.54 -119.593 124.892 -46.1243 -103.54 -46.1245 -171.882 GPRESSURE: 1759800 -36.1577 -120.196 -2.94426 -85.0733 125.184 1.07643 -116.188 -87.3745 -100.061 PRESSAVG: 1759800 -79.3348 -10.3547 -2.83892 -10.3547 6.3154 -77.6339 -2.83896 -77.6338 66.3046 GPRESSAVG: 1759800 -80.5778 -9.76069 -1.61493 -11.1002 6.70772 -77.5584 -3.90892 -77.9239 66.9858 TIMING: 1759800 CPU: 5102.26, 0.00288874/step Wall: 5102.26, 0.00288874/step, 2.60002 hours remaining, 210.535156 MB of memory in use. ENERGY: 1759800 758.8639 2093.8264 1968.0699 111.7550 -206599.0998 18025.0961 0.0000 0.0000 34257.6951 -149383.7934 299.1810 -183641.4885 -149288.9012 298.6121 -39.1491 -3.6782 557951.9222 -2.2382 -2.2948 PRESSURE: 1760000 -246.002 -29.5555 7.20914 -29.5556 -138.515 82.6359 7.20923 82.6341 202.58 GPRESSURE: 1760000 -197.095 44.6205 108.196 -29.1268 -146.017 70.3601 -84.3293 39.8126 263.279 PRESSAVG: 1760000 1.36765 -74.4293 42.5285 -74.4293 -0.630726 -13.9225 42.5285 -13.9224 14.3877 GPRESSAVG: 1760000 2.1859 -75.9917 39.5215 -71.7736 -1.24921 -13.6195 45.0826 -15.4164 13.7598 TIMING: 1760000 CPU: 5102.84, 0.00287689/step Wall: 5102.84, 0.00287689/step, 2.5892 hours remaining, 210.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1760000 712.7554 2091.4538 1971.5800 112.3133 -205814.7836 17572.0163 0.0000 0.0000 34001.5684 -149353.0963 296.9442 -183354.6647 -149252.2594 299.0682 -60.6454 -26.6107 558210.1395 5.0415 4.8988 PRESSURE: 1760200 121.926 -97.8671 30.4856 -97.8687 69.9822 -77.46 30.4854 -77.4594 -1.63964 GPRESSURE: 1760200 215.399 -130.851 67.5063 -50.4965 99.4009 -40.339 119.002 -30.0636 -21.5752 PRESSAVG: 1760200 -31.9636 -32.8662 -12.508 -32.8662 -35.4432 -33.2247 -12.5079 -33.2246 54.3545 GPRESSAVG: 1760200 -32.2935 -34.1864 -11.2284 -33.4892 -35.7124 -33.4845 -14.2804 -31.7457 54.797 TIMING: 1760200 CPU: 5103.42, 0.00290548/step Wall: 5103.42, 0.00290548/step, 2.61477 hours remaining, 210.535156 MB of memory in use. ENERGY: 1760200 736.8590 2135.7408 1954.1328 115.3326 -206531.1731 18006.2623 0.0000 0.0000 34105.5028 -149477.3427 297.8518 -183582.8455 -149375.3050 298.7065 63.4229 97.7417 557819.5275 -4.3508 -4.4030 LDB: ============= START OF LOAD BALANCING ============== 5106.81 LDB: ============== END OF LOAD BALANCING =============== 5106.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5106.81 LDB: ============= START OF LOAD BALANCING ============== 5107.1 LDB: Largest compute 4820 load 0.025115 is 21.3% of average load 0.117963 LDB: Average compute 0.001732 is 1.5% of average load 0.117963 LDB: TIME 5107.1 LOAD: AVG 0.117963 MAX 0.18024 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.777 MB LDB: TIME 5107.1 LOAD: AVG 0.117963 MAX 0.18024 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.98 MB LDB: TIME 5107.1 LOAD: AVG 0.117963 MAX 0.18024 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.98 MB LDB: ============== END OF LOAD BALANCING =============== 5107.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5107.11 PRESSURE: 1760400 -89.2875 50.47 54.1753 50.4701 79.9483 -62.7542 54.1765 -62.7535 41.4003 GPRESSURE: 1760400 -28.7499 101.377 10.1994 61.8933 103.238 -17.0449 69.0979 -49.8994 66.2861 PRESSAVG: 1760400 -65.4851 -39.9903 12.874 -39.9904 69.1246 -61.0906 12.874 -61.0905 -5.02564 GPRESSAVG: 1760400 -64.917 -38.5456 14.9352 -38.1347 69.6723 -62.0025 11.4857 -59.3998 -6.47876 TIMING: 1760400 CPU: 5104.01, 0.00295251/step Wall: 5104.01, 0.00295251/step, 2.65693 hours remaining, 210.488281 MB of memory in use. ENERGY: 1760400 732.8195 2168.3393 1971.8518 114.7118 -206529.8878 18004.4253 0.0000 0.0000 33942.9407 -149594.7992 296.4321 -183537.7399 -149503.4138 298.7571 10.6870 46.9249 556714.6968 -0.4620 -0.5745 PRESSURE: 1760600 -282.032 -59.0948 219.663 -59.0942 -39.6964 -205.416 219.663 -205.416 -12.9808 GPRESSURE: 1760600 -310.087 -84.1984 233.854 -45.4964 13.0537 -32.7539 195.208 -256.464 54.8443 PRESSAVG: 1760600 -7.46435 6.7223 52.0634 6.72228 -17.9149 -60.0427 52.0635 -60.0428 35.9319 GPRESSAVG: 1760600 -7.75606 5.55464 49.4522 5.67663 -18.1238 -58.7752 54.29 -62.2041 36.5521 TIMING: 1760600 CPU: 5104.59, 0.00289739/step Wall: 5104.59, 0.00289739/step, 2.60717 hours remaining, 210.558594 MB of memory in use. ENERGY: 1760600 741.0253 2172.4196 1932.9226 114.4370 -206338.0527 17696.1681 0.0000 0.0000 34341.6668 -149339.4134 299.9143 -183681.0801 -149243.8098 297.9070 -111.5698 -80.7298 558314.0824 3.5175 3.5574 PRESSURE: 1760800 82.5027 -73.3998 46.6742 -73.3998 -258.252 -67.3257 46.6733 -67.3245 55.2199 GPRESSURE: 1760800 97.901 14.6839 1.39256 -177.859 -231.508 -56.4893 -21.6713 -95.8415 118.673 PRESSAVG: 1760800 8.7551 -30.8157 14.7713 -30.8156 -62.8733 -18.8821 14.7714 -18.8821 29.5522 GPRESSAVG: 1760800 9.45661 -27.6422 15.5839 -33.7167 -63.1878 -21.2171 12.6301 -19.064 30.1492 TIMING: 1760800 CPU: 5105.17, 0.00288794/step Wall: 5105.17, 0.00288794/step, 2.59851 hours remaining, 210.558594 MB of memory in use. ENERGY: 1760800 751.9763 2066.9743 1993.4889 113.7974 -206234.9456 17807.2215 0.0000 0.0000 34238.9774 -149262.5098 299.0175 -183501.4873 -149162.4289 299.6976 -40.1766 -4.9779 557175.6966 -8.1887 -7.8607 PRESSURE: 1761000 100.306 175.838 1.99904 175.839 133.268 -79.8468 1.99884 -79.8471 -116.041 GPRESSURE: 1761000 106.195 108.413 49.3182 144.024 132.523 -99.171 -74.1904 -64.1208 -34.8386 PRESSAVG: 1761000 45.7517 -1.38184 28.6813 -1.38186 12.6697 -66.5561 28.6813 -66.5561 -35.4524 GPRESSAVG: 1761000 43.8951 -1.60267 27.4555 -0.551036 14.4181 -66.3034 30.4922 -64.5811 -35.3725 TIMING: 1761000 CPU: 5105.74, 0.00287814/step Wall: 5105.74, 0.00287814/step, 2.58953 hours remaining, 210.558594 MB of memory in use. ENERGY: 1761000 757.2886 2108.9534 1979.7354 111.8020 -206084.9598 17577.8710 0.0000 0.0000 34263.6253 -149285.6842 299.2328 -183549.3094 -149189.7851 298.7338 39.1778 67.9598 556111.4171 7.6563 7.6469 PRESSURE: 1761200 -209.276 226.07 -103.948 226.071 -73.7796 -176.193 -103.949 -176.19 142.581 GPRESSURE: 1761200 -163.205 347.51 -111.306 147.686 -36.8866 -107.095 -63.744 -177.115 165.178 PRESSAVG: 1761200 21.9128 26.6934 -5.82348 26.6933 1.95028 -29.1603 -5.82341 -29.1602 14.6301 GPRESSAVG: 1761200 23.2347 26.7237 -3.58515 28.4051 0.292863 -27.5433 -6.25797 -30.6886 14.8013 TIMING: 1761200 CPU: 5106.32, 0.00289148/step Wall: 5106.32, 0.00289148/step, 2.60136 hours remaining, 210.558594 MB of memory in use. ENERGY: 1761200 772.7906 2156.2884 1971.8622 114.4326 -206365.8338 17851.7494 0.0000 0.0000 34238.5006 -149260.2099 299.0133 -183498.7105 -149168.6897 299.1208 -46.8248 -11.6380 555718.7974 12.8311 12.7763 PRESSURE: 1761400 -103.21 5.31805 -122.055 5.3192 152.223 -65.9942 -122.056 -65.9951 47.1035 GPRESSURE: 1761400 -77.5046 14.1874 -128.109 -55.5082 197.646 -15.2472 -157.131 -49.8915 72.824 PRESSAVG: 1761400 43.3944 73.0016 19.6655 73.0016 -49.0945 -16.7913 19.6655 -16.7914 21.7575 GPRESSAVG: 1761400 44.2811 71.0465 20.1519 73.0063 -49.3548 -16.6272 21.145 -15.1862 20.8516 TIMING: 1761400 CPU: 5106.89, 0.00286083/step Wall: 5106.89, 0.00286083/step, 2.57364 hours remaining, 210.558594 MB of memory in use. ENERGY: 1761400 755.6393 2117.2049 1959.3159 113.1304 -206097.4581 17653.0686 0.0000 0.0000 34324.7657 -149174.3333 299.7667 -183499.0990 -149074.8378 299.8770 32.0388 64.3218 556606.6292 5.3525 5.2593 PRESSURE: 1761600 12.6504 -41.0939 36.0519 -41.0932 34.8056 90.1516 36.0516 90.1504 -65.7011 GPRESSURE: 1761600 4.98653 -47.7783 66.9197 -49.3797 106.621 85.1002 8.63911 133.126 -20.4283 PRESSAVG: 1761600 -2.06379 -60.8072 -14.6803 -60.8072 -4.4549 31.6688 -14.6804 31.6689 -0.254419 GPRESSAVG: 1761600 -2.84917 -57.7828 -14.2465 -62.9481 -4.35606 30.9876 -15.9856 29.123 0.512298 TIMING: 1761600 CPU: 5107.47, 0.00287544/step Wall: 5107.47, 0.00287544/step, 2.58662 hours remaining, 210.558594 MB of memory in use. ENERGY: 1761600 745.8442 2112.7770 1942.6417 113.6258 -206425.6440 17800.4971 0.0000 0.0000 34340.4249 -149369.8334 299.9035 -183710.2583 -149273.5937 299.3669 -6.0817 30.3931 556377.5996 -2.2577 -2.2310 PRESSURE: 1761800 231.786 5.8411 127.19 5.84184 148.309 -42.3654 127.19 -42.3638 -11.6368 GPRESSURE: 1761800 331.914 49.0144 100.234 32.5087 133.946 -9.82273 73.1244 -173.707 12.2419 PRESSAVG: 1761800 57.6091 -60.6731 5.67378 -60.673 -33.8679 12.824 5.67378 12.8241 -25.4989 GPRESSAVG: 1761800 56.9411 -63.1968 3.19817 -59.9856 -33.3308 13.1606 7.29478 15.6274 -25.2398 TIMING: 1761800 CPU: 5108.04, 0.00288295/step Wall: 5108.04, 0.00288295/step, 2.59321 hours remaining, 210.558594 MB of memory in use. ENERGY: 1761800 770.4219 2101.2644 1935.2886 106.4772 -206443.5198 17901.6822 0.0000 0.0000 34240.8290 -149387.5564 299.0337 -183628.3854 -149288.0292 299.2422 122.8194 159.3673 555372.9760 -0.5859 -0.5432 PRESSURE: 1762000 -77.7025 -152.724 63.8913 -152.724 -525.855 76.7686 63.891 76.7682 -293.839 GPRESSURE: 1762000 -45.7469 -131.497 102.979 -161.865 -483.179 86.1784 12.9011 104.465 -278.121 PRESSAVG: 1762000 15.1228 -47.2931 -9.72532 -47.293 -58.4348 -4.39509 -9.72537 -4.39507 9.64274 GPRESSAVG: 1762000 16.4568 -46.5274 -6.72175 -46.817 -59.1571 -4.42251 -11.9244 -4.81124 9.3958 TIMING: 1762000 CPU: 5108.62, 0.00286123/step Wall: 5108.62, 0.00286123/step, 2.57351 hours remaining, 210.625000 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: 1762000 735.9974 2149.4358 1993.1845 123.1535 -205975.0888 17441.3598 0.0000 0.0000 34133.8527 -149398.1051 298.0994 -183531.9578 -149302.4619 299.5095 -299.1321 -269.0154 555941.3865 -11.2231 -11.1015 PRESSURE: 1762200 -304.358 -219.121 64.1737 -219.12 100.79 -73.7627 64.1739 -73.7641 -236.22 GPRESSURE: 1762200 -277.435 -74.4079 78.5288 -167.42 145.711 -106.775 2.53035 -80.1581 -214.336 PRESSAVG: 1762200 9.63255 -37.7832 -16.6854 -37.7832 13.435 -50.8189 -16.6854 -50.8189 6.80734 GPRESSAVG: 1762200 8.90981 -36.5204 -18.6636 -37.7514 14.7094 -51.3227 -17.2016 -52.3462 6.03935 TIMING: 1762200 CPU: 5109.19, 0.00287668/step Wall: 5109.19, 0.00287668/step, 2.58725 hours remaining, 210.625000 MB of memory in use. ENERGY: 1762200 765.2447 2140.7823 1945.4053 109.8932 -206464.0303 17789.3138 0.0000 0.0000 34307.3954 -149405.9956 299.6150 -183713.3910 -149308.8267 298.8413 -146.5960 -115.3532 557310.8346 9.9583 9.8862 PRESSURE: 1762400 168.21 69.4651 -84.5027 69.4647 16.3984 -6.01849 -84.5035 -6.01832 -33.7888 GPRESSURE: 1762400 192.558 46.7921 -11.4343 124.116 91.4995 31.6138 -131.655 -19.0325 -33.6463 PRESSAVG: 1762400 -38.2041 -25.619 -0.0391829 -25.619 36.6946 9.88636 -0.0392859 9.88651 9.46835 GPRESSAVG: 1762400 -39.1634 -25.455 1.2511 -25.0553 36.3391 10.1198 -0.88824 10.329 10.4298 TIMING: 1762400 CPU: 5109.77, 0.00288113/step Wall: 5109.77, 0.00288113/step, 2.5911 hours remaining, 210.625000 MB of memory in use. ENERGY: 1762400 745.4700 2046.5713 1961.0880 117.8685 -206622.1910 18003.2963 0.0000 0.0000 34293.0984 -149454.7985 299.4902 -183747.8969 -149355.6260 298.8204 50.2732 83.4705 556496.7910 2.6529 2.5352 PRESSURE: 1762600 -50.5004 139.084 -94.2311 139.084 -13.7189 -38.8572 -94.2312 -38.8567 -41.791 GPRESSURE: 1762600 -51.48 141.331 -187.744 170.815 17.557 -5.71639 -47.5749 -37.1796 13.1755 PRESSAVG: 1762600 15.9591 -3.19991 6.10891 -3.19998 40.8954 -18.9883 6.10891 -18.9883 1.18246 GPRESSAVG: 1762600 16.5846 -3.75746 5.30223 -1.41834 40.8625 -18.5795 8.03836 -16.6944 0.454673 TIMING: 1762600 CPU: 5110.34, 0.0028695/step Wall: 5110.34, 0.0028695/step, 2.58048 hours remaining, 210.625000 MB of memory in use. ENERGY: 1762600 762.3832 2138.5520 1963.4447 107.9466 -206308.1575 17845.2537 0.0000 0.0000 34153.4544 -149337.1229 298.2706 -183490.5773 -149239.8437 298.9689 -35.3368 -6.9159 559666.6084 19.3457 19.3006 PRESSURE: 1762800 -219.962 -119.909 145.085 -119.908 -141.665 -67.0869 145.086 -67.0873 -52.6537 GPRESSURE: 1762800 -210.876 -48.7745 100.206 -149.109 -56.4493 -50.8692 189.875 -59.8928 -50.6242 PRESSAVG: 1762800 -3.7022 2.70369 24.9787 2.70365 -40.2682 15.506 24.9787 15.5062 30.0516 GPRESSAVG: 1762800 -3.37588 2.97291 25.2778 0.406751 -40.6121 14.1437 24.7732 12.8547 30.0354 TIMING: 1762800 CPU: 5110.92, 0.00288933/step Wall: 5110.92, 0.00288933/step, 2.59815 hours remaining, 210.625000 MB of memory in use. ENERGY: 1762800 776.1200 2095.0344 1973.8422 114.2063 -206320.4776 17873.8910 0.0000 0.0000 34000.3208 -149487.0629 296.9333 -183487.3837 -149387.5251 298.9101 -138.0937 -105.9831 558369.3173 -4.6396 -4.6509 PRESSURE: 1763000 -164.593 -63.7598 -19.9832 -63.7605 111.523 -48.5201 -19.9833 -48.5203 15.7659 GPRESSURE: 1763000 -151.042 68.384 -40.7904 -103.524 91.9309 -37.7117 42.8199 -32.4415 119.839 PRESSAVG: 1763000 8.11472 39.7039 -20.8953 39.7039 76.0294 34.1446 -20.8953 34.1446 -97.9485 GPRESSAVG: 1763000 8.12573 39.2982 -18.4879 39.8649 76.6205 33.6437 -21.459 35.088 -98.2468 TIMING: 1763000 CPU: 5111.5, 0.00290035/step Wall: 5111.5, 0.00290035/step, 2.6079 hours remaining, 210.625000 MB of memory in use. ENERGY: 1763000 744.4574 2072.3327 1980.2811 105.8647 -206567.2536 17954.1178 0.0000 0.0000 34332.3995 -149377.8005 299.8334 -183710.1999 -149286.7600 298.9237 -12.4348 20.2427 557914.2528 -4.6015 -4.5002 PRESSURE: 1763200 4.81195 211.701 -1.37129 211.7 79.3304 -133.273 -1.37125 -133.271 97.4276 GPRESSURE: 1763200 56.9511 197.705 -32.1293 160.965 78.561 -114.681 -84.9599 -83.7126 151.08 PRESSAVG: 1763200 -9.71554 35.0733 -21.449 35.0734 16.9614 -60.7942 -21.4489 -60.7943 4.42647 GPRESSAVG: 1763200 -9.58051 34.7309 -24.1874 34.7945 16.9091 -60.0924 -21.0495 -61.4447 4.95009 TIMING: 1763200 CPU: 5112.08, 0.00290085/step Wall: 5112.08, 0.00290085/step, 2.60819 hours remaining, 210.625000 MB of memory in use. ENERGY: 1763200 751.9675 2047.1099 1974.1917 125.2041 -206455.2406 18020.1830 0.0000 0.0000 34224.4911 -149312.0933 298.8910 -183536.5844 -149213.3375 298.6881 60.5233 95.5308 556909.1998 3.8908 4.0929 PRESSURE: 1763400 -59.0088 73.4821 8.1611 73.4822 1.90676 -24.2698 8.16175 -24.27 -95.4508 GPRESSURE: 1763400 -32.4749 123.221 53.5603 70.5745 51.1303 -127.874 23.6784 83.2455 -76.1237 PRESSAVG: 1763400 -37.9746 103.539 -26.6221 103.539 37.4992 -49.8147 -26.6222 -49.8147 -16.1433 GPRESSAVG: 1763400 -37.3655 106.774 -25.1492 104.215 37.2617 -49.3353 -26.0389 -50.7715 -16.5079 TIMING: 1763400 CPU: 5112.66, 0.00289432/step Wall: 5112.66, 0.00289432/step, 2.60215 hours remaining, 210.625000 MB of memory in use. ENERGY: 1763400 767.5155 2122.5529 1973.6452 131.8354 -206448.1367 17917.3239 0.0000 0.0000 34138.0340 -149397.2298 298.1359 -183535.2638 -149301.5637 298.5714 -50.8509 -19.1561 557909.1202 -5.5396 -5.5372 PRESSURE: 1763600 -159.33 24.0047 -126.766 24.0052 13.8448 -48.3203 -126.765 -48.3209 -8.50577 GPRESSURE: 1763600 -114.847 74.1827 -34.1296 14.7628 54.9823 -48.6347 -148.1 21.9789 8.87069 PRESSAVG: 1763600 15.3394 -3.46642 6.01157 -3.46634 -9.59898 5.12394 6.01156 5.12396 6.11086 GPRESSAVG: 1763600 14.8562 -4.13788 5.37655 -2.69333 -9.17199 4.08616 4.46446 6.26693 6.35013 TIMING: 1763600 CPU: 5113.23, 0.00286352/step Wall: 5113.23, 0.00286352/step, 2.5743 hours remaining, 210.625000 MB of memory in use. ENERGY: 1763600 744.0462 2085.7025 1991.6044 111.6050 -206434.3554 17706.6429 0.0000 0.0000 34497.4070 -149297.3474 301.2744 -183794.7544 -149196.0812 299.5646 -51.3302 -16.9981 556906.1351 3.9504 4.0115 PRESSURE: 1763800 -415.133 -108.941 -23.2057 -108.942 -340.349 53.2513 -23.2045 53.2515 -36.1213 GPRESSURE: 1763800 -340.388 -191.806 46.6661 -59.2336 -379.554 202.439 -41.0018 -13.8827 11.4177 PRESSAVG: 1763800 -42.8232 -2.38959 -41.3469 -2.38965 10.033 -34.5334 -41.3469 -34.5334 56.74 GPRESSAVG: 1763800 -42.3511 -4.08408 -42.6843 -2.03015 10.5143 -32.469 -41.3109 -34.6612 55.6087 TIMING: 1763800 CPU: 5113.81, 0.00286675/step Wall: 5113.81, 0.00286675/step, 2.57705 hours remaining, 210.625000 MB of memory in use. ENERGY: 1763800 748.9975 2144.4112 1947.0160 111.0475 -206159.7321 17580.2432 0.0000 0.0000 34209.0054 -149419.0113 298.7558 -183628.0167 -149318.7529 299.9841 -263.8677 -236.1747 559613.5679 7.9833 7.9240 PRESSURE: 1764000 9.80078 22.2399 -78.5753 22.2405 -6.90834 -67.8507 -78.5769 -67.8496 -240.317 GPRESSURE: 1764000 -1.28175 39.9921 -26.9889 -38.6134 36.9362 -71.1789 -99.1005 -88.14 -180.86 PRESSAVG: 1764000 19.1289 -8.22828 -18.345 -8.22832 -17.9101 -24.081 -18.345 -24.0809 -49.595 GPRESSAVG: 1764000 18.3258 -6.99879 -18.009 -9.98093 -18.5583 -25.8169 -16.9173 -22.9451 -47.9286 TIMING: 1764000 CPU: 5114.39, 0.00289939/step Wall: 5114.39, 0.00289939/step, 2.60623 hours remaining, 210.625000 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: 1764000 769.4685 2060.7683 1996.8291 110.7433 -206505.2949 18032.0136 0.0000 0.0000 34112.5527 -149422.9194 297.9134 -183535.4721 -149333.4627 299.2116 -79.1415 -48.4019 558960.8686 -16.1254 -16.0537 PRESSURE: 1764200 185.324 -192.462 -23.4301 -192.462 322.13 -153.538 -23.4282 -153.539 322.04 GPRESSURE: 1764200 232.103 -142.845 -19.5806 -119.706 345.589 -114.93 6.51703 -166.02 337.241 PRESSAVG: 1764200 8.35744 -66.8745 -4.2809 -66.8745 33.9401 -74.7363 -4.28082 -74.7363 -34.102 GPRESSAVG: 1764200 7.3593 -67.3668 -4.40638 -65.2426 34.8097 -73.9257 -5.18952 -76.6826 -34.487 TIMING: 1764200 CPU: 5114.96, 0.00287921/step Wall: 5114.96, 0.00287921/step, 2.58793 hours remaining, 210.625000 MB of memory in use. ENERGY: 1764200 708.2368 2083.4648 1976.2402 117.3285 -206652.3101 18261.0966 0.0000 0.0000 33949.5850 -149556.3583 296.4902 -183505.9433 -149460.4773 298.6793 276.4979 304.9777 559171.1235 2.7318 2.5607 LDB: ============= START OF LOAD BALANCING ============== 5118.34 LDB: ============== END OF LOAD BALANCING =============== 5118.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5118.35 LDB: ============= START OF LOAD BALANCING ============== 5118.64 LDB: Largest compute 4820 load 0.024730 is 21.0% of average load 0.118019 LDB: Average compute 0.001723 is 1.5% of average load 0.118019 LDB: TIME 5118.64 LOAD: AVG 0.118019 MAX 0.181023 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.383 MB LDB: TIME 5118.64 LOAD: AVG 0.118019 MAX 0.181023 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.383 MB LDB: TIME 5118.64 LOAD: AVG 0.118019 MAX 0.181023 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5118.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5118.64 PRESSURE: 1764400 -145.462 -48.6141 -38.2753 -48.6143 -261.682 -110.678 -38.276 -110.677 -187.674 GPRESSURE: 1764400 -105.026 -6.93524 -63.6724 -44.0551 -260.781 -112.238 -69.0185 -184.931 -139.484 PRESSAVG: 1764400 -53.8863 -19.5659 35.1403 -19.5659 21.4388 -28.7714 35.1403 -28.7715 1.4282 GPRESSAVG: 1764400 -51.9262 -21.4363 36.0178 -18.046 19.2694 -27.4745 34.2672 -28.941 1.39813 TIMING: 1764400 CPU: 5115.55, 0.00293807/step Wall: 5115.55, 0.00293807/step, 2.64067 hours remaining, 209.140625 MB of memory in use. ENERGY: 1764400 763.4491 2070.3812 1974.7571 124.7867 -206088.9067 17480.6145 0.0000 0.0000 34302.1358 -149372.7822 299.5691 -183674.9180 -149277.8894 298.7473 -198.2730 -168.4304 558278.3301 -10.3398 -10.4196 PRESSURE: 1764600 95.8958 40.101 94.2703 40.1012 126.945 6.59436 94.2704 6.5948 12.2021 GPRESSURE: 1764600 65.7738 -10.4096 -12.1283 -19.0306 171.226 58.9324 98.2877 -36.1077 102.015 PRESSAVG: 1764600 11.4943 -20.5257 73.2686 -20.5258 -17.2125 19.6024 73.2685 19.6025 31.2099 GPRESSAVG: 1764600 9.74729 -21.7225 73.0491 -18.5083 -14.9104 16.8255 74.5053 21.7741 30.8489 TIMING: 1764600 CPU: 5116.12, 0.00287594/step Wall: 5116.12, 0.00287594/step, 2.58467 hours remaining, 209.582031 MB of memory in use. ENERGY: 1764600 715.6265 2078.1394 1961.8345 120.3754 -206739.3503 18267.3188 0.0000 0.0000 34270.2701 -149325.7857 299.2908 -183596.0558 -149239.6456 299.3130 78.3476 113.0050 559881.2937 8.4972 8.5619 PRESSURE: 1764800 429.35 118.312 -84.7663 118.313 205.67 -19.5396 -84.7662 -19.5385 218.786 GPRESSURE: 1764800 444.025 61.3934 -50.0876 196.024 258.651 12.1114 -115.186 -41.3294 240.108 PRESSAVG: 1764800 6.93927 27.1247 -7.4243 27.1247 -60.4742 -11.3951 -7.42424 -11.3951 40.0697 GPRESSAVG: 1764800 7.99973 26.6509 -7.3909 25.4332 -62.5572 -10.6265 -6.73469 -12.4325 41.1359 TIMING: 1764800 CPU: 5116.7, 0.00288777/step Wall: 5116.7, 0.00288777/step, 2.59515 hours remaining, 209.582031 MB of memory in use. ENERGY: 1764800 720.7012 2134.3151 1932.2676 103.5498 -206587.0303 18250.4382 0.0000 0.0000 34304.7329 -149141.0255 299.5918 -183445.7584 -149038.3404 299.0874 284.6019 314.2610 558589.9931 -4.4884 -4.4739 PRESSURE: 1765000 89.1368 -12.8406 -92.0633 -12.8399 -61.8851 -62.0256 -92.0637 -62.0259 -150.858 GPRESSURE: 1765000 97.5981 -29.9431 -161.757 -18.8147 -31.5804 -20.2503 -43.3829 -74.5047 -100.885 PRESSAVG: 1765000 -13.8594 15.239 -7.29 15.2388 -4.92804 -12.3405 -7.29008 -12.3404 -25.3944 GPRESSAVG: 1765000 -14.1522 19.1104 -8.86421 13.3415 -3.94813 -11.0771 -6.65284 -12.5949 -25.8571 TIMING: 1765000 CPU: 5117.28, 0.00288616/step Wall: 5117.28, 0.00288616/step, 2.59354 hours remaining, 209.582031 MB of memory in use. ENERGY: 1765000 751.5286 2076.8515 1930.1238 117.4321 -205927.4155 17802.0533 0.0000 0.0000 34222.3579 -149027.0683 298.8724 -183249.4262 -148932.2641 298.9966 -41.2020 -11.6225 559810.4136 -14.7273 -14.6525 PRESSURE: 1765200 -5.5513 86.0307 -243.845 86.0311 -442.931 77.0441 -243.843 77.0454 163.869 GPRESSURE: 1765200 37.9603 100.551 -186.727 45.7122 -443.053 107.848 -189.114 115.233 203.769 PRESSAVG: 1765200 22.9291 32.1889 3.6119 32.1889 -64.3364 37.5915 3.61195 37.5915 38.6549 GPRESSAVG: 1765200 23.5192 31.4478 4.12764 32.6026 -63.4286 37.2065 2.48402 36.4787 37.5338 TIMING: 1765200 CPU: 5117.85, 0.00286905/step Wall: 5117.85, 0.00286905/step, 2.578 hours remaining, 209.582031 MB of memory in use. ENERGY: 1765200 767.8581 2132.5336 1961.9281 119.6349 -205859.2813 17510.6497 0.0000 0.0000 34358.0789 -149008.5979 300.0576 -183366.6769 -148905.7021 298.9092 -94.8708 -67.1079 556750.8138 -0.9175 -0.7918 PRESSURE: 1765400 -24.542 80.0573 -84.5785 80.0587 -253.298 -26.6259 -84.5791 -26.6264 201.708 GPRESSURE: 1765400 59.6163 104.597 -37.9137 103.745 -207.562 -25.5122 -181.216 -40.0046 173.361 PRESSAVG: 1765400 41.8401 34.6462 -88.6066 34.6462 -28.0508 -35.9093 -88.6066 -35.9092 -57.5862 GPRESSAVG: 1765400 41.9049 35.9037 -87.8531 34.0824 -28.1111 -36.1691 -89.8986 -34.4786 -56.9738 TIMING: 1765400 CPU: 5118.43, 0.0028721/step Wall: 5118.43, 0.0028721/step, 2.58058 hours remaining, 209.582031 MB of memory in use. ENERGY: 1765400 771.1357 2052.0297 1965.0282 106.3305 -205965.0103 17753.3775 0.0000 0.0000 34407.1226 -148909.9861 300.4860 -183317.1088 -148811.2538 299.5512 -25.3772 8.4717 557845.5880 -14.5989 -14.3933 PRESSURE: 1765600 154.969 -195.864 147.055 -195.865 177.839 33.1117 147.055 33.1105 -56.8717 GPRESSURE: 1765600 162.001 -248.005 162.556 -104.636 185.198 30.4209 148.828 -25.8791 31.3887 PRESSAVG: 1765600 -12.464 2.67182 -5.87784 2.67171 17.6438 20.7898 -5.87781 20.7898 -13.0211 GPRESSAVG: 1765600 -12.4986 1.28573 -5.03588 4.91352 16.8638 18.2113 -2.99437 22.1199 -12.2467 TIMING: 1765600 CPU: 5119, 0.00288441/step Wall: 5119, 0.00288441/step, 2.59149 hours remaining, 209.582031 MB of memory in use. ENERGY: 1765600 734.6345 2088.3897 1975.2258 109.1451 -206243.8360 17910.6940 0.0000 0.0000 34618.8071 -148806.9399 302.3347 -183425.7471 -148714.6160 299.9693 91.9786 126.1960 555717.9512 -2.6138 -2.6272 PRESSURE: 1765800 26.2299 9.72502 -62.8879 9.72406 195.219 -137.552 -62.8868 -137.551 266.367 GPRESSURE: 1765800 69.6145 -13.4316 -117.015 -41.612 236.966 -86.3252 -91.501 -89.8478 268.293 PRESSAVG: 1765800 6.97004 34.2574 -40.8525 34.2574 36.5054 14.4124 -40.8526 14.4124 -47.2724 GPRESSAVG: 1765800 7.40987 34.3757 -40.4596 33.2956 36.5814 18.6319 -43.1443 13.3553 -47.8643 TIMING: 1765800 CPU: 5119.58, 0.00287719/step Wall: 5119.58, 0.00287719/step, 2.58484 hours remaining, 209.582031 MB of memory in use. ENERGY: 1765800 712.5070 2090.5281 1969.3579 123.6717 -205844.5020 17810.7530 0.0000 0.0000 34291.9374 -148845.7468 299.4800 -183137.6842 -148746.9168 300.4452 162.6052 191.6247 556401.8329 -1.2656 -1.2910 PRESSURE: 1766000 -156.262 82.6261 -106.686 82.6264 18.1497 -46.204 -106.687 -46.2051 -142.88 GPRESSURE: 1766000 -56.5184 131.108 -83.7369 124.498 5.54489 -90.0992 -79.7162 40.4629 -147.294 PRESSAVG: 1766000 -13.1828 -3.73467 -55.116 -3.73465 -1.31607 -17.283 -55.116 -17.2829 37.0847 GPRESSAVG: 1766000 -13.124 -4.19404 -53.4236 -4.80077 -1.26866 -18.2657 -54.8835 -15.5058 36.9672 TIMING: 1766000 CPU: 5120.16, 0.00289207/step Wall: 5120.16, 0.00289207/step, 2.59804 hours remaining, 209.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1766000 773.3610 2083.7972 1962.7562 113.7554 -205769.8326 17615.7047 0.0000 0.0000 34397.8767 -148822.5813 300.4052 -183220.4580 -148724.2626 300.1529 -93.6640 -66.0891 558525.1243 7.5286 7.5249 PRESSURE: 1766200 169.329 -61.276 -139.945 -61.2761 -52.0619 174.809 -139.945 174.808 -138.368 GPRESSURE: 1766200 206.722 -8.33759 -231.984 -160.896 -0.469288 125.5 -147.123 79.3179 -130.496 PRESSAVG: 1766200 12.6473 41.7948 -19.9065 41.7948 24.8024 57.4213 -19.9065 57.4215 -48.1752 GPRESSAVG: 1766200 11.144 43.5239 -21.1271 42.3521 25.3353 55.2639 -17.968 55.6097 -47.1022 TIMING: 1766200 CPU: 5120.74, 0.0029223/step Wall: 5120.74, 0.0029223/step, 2.62504 hours remaining, 209.582031 MB of memory in use. ENERGY: 1766200 746.7394 2126.8834 1985.8209 119.7150 -206242.3641 17778.1609 0.0000 0.0000 34532.1862 -148952.8582 301.5782 -183485.0445 -148858.6234 300.0470 -7.0335 25.2524 555716.1097 -3.5752 -3.5410 PRESSURE: 1766400 30.1788 -18.0534 -117.163 -18.0539 139.966 125.575 -117.164 125.577 -287.486 GPRESSURE: 1766400 46.6636 0.470843 -81.1958 -8.75858 233.544 85.2933 -129.131 43.9714 -306.275 PRESSAVG: 1766400 -42.0062 -54.0216 -15.4053 -54.0215 2.3551 17.6066 -15.4052 17.6065 32.5074 GPRESSAVG: 1766400 -40.862 -53.6067 -15.1296 -55.6848 1.66065 18.4111 -17.7269 18.392 31.8787 TIMING: 1766400 CPU: 5121.32, 0.00290649/step Wall: 5121.32, 0.00290649/step, 2.61067 hours remaining, 209.582031 MB of memory in use. ENERGY: 1766400 743.5645 2084.2613 1950.9190 122.5943 -206019.0202 17738.6790 0.0000 0.0000 34312.3036 -149066.6984 299.6579 -183379.0020 -148974.7891 299.6406 -39.1135 -8.6892 556885.8948 -2.3812 -2.4409 PRESSURE: 1766600 -166.636 -242.54 72.5781 -242.539 -262.757 -105.567 72.5778 -105.566 -512.609 GPRESSURE: 1766600 -163.135 -176.588 58.9091 -220.717 -238.131 -56.6307 126.558 -45.7243 -460.477 PRESSAVG: 1766600 -44.5437 -20.371 27.3493 -20.3709 -17.3299 56.7197 27.3493 56.7198 17.2116 GPRESSAVG: 1766600 -44.3565 -22.5843 28.8505 -19.9703 -16.3204 58.605 26.8223 55.4751 16.2466 TIMING: 1766600 CPU: 5121.9, 0.00289794/step Wall: 5121.9, 0.00289794/step, 2.60283 hours remaining, 209.582031 MB of memory in use. ENERGY: 1766600 744.3867 2133.7113 1954.9890 112.1524 -205734.2396 17338.2564 0.0000 0.0000 34360.9194 -149089.8243 300.0825 -183450.7438 -148986.0141 300.0267 -314.0004 -287.2477 558057.6786 -14.8873 -14.8101 PRESSURE: 1766800 14.5077 -156.615 135.105 -156.614 116.169 45.7799 135.103 45.7801 43.3161 GPRESSURE: 1766800 68.1413 -125.023 135.721 -165.943 140.347 71.7673 212.196 -36.3067 69.0349 PRESSAVG: 1766800 -21.4187 -48.1971 31.9054 -48.1972 64.5721 70.2756 31.9055 70.2757 -3.7471 GPRESSAVG: 1766800 -22.2181 -47.7066 29.0004 -47.7699 64.8669 66.8941 34.3018 71.1033 -3.2118 TIMING: 1766800 CPU: 5122.48, 0.00288134/step Wall: 5122.48, 0.00288134/step, 2.58777 hours remaining, 209.582031 MB of memory in use. ENERGY: 1766800 746.6341 2067.8623 1958.3398 116.3947 -206184.0886 17692.1198 0.0000 0.0000 34398.4984 -149204.2396 300.4106 -183602.7380 -149109.3830 300.0728 57.9974 92.5079 555449.4282 13.1355 13.1457 PRESSURE: 1767000 -104.563 11.8949 116.605 11.8945 -88.9998 66.7648 116.605 66.7664 -284.291 GPRESSURE: 1767000 -115.728 -31.193 100.203 59.0777 -31.2856 21.2169 92.1312 152.225 -229.646 PRESSAVG: 1767000 8.13745 -23.0757 10.8262 -23.0756 34.5673 -11.5272 10.8263 -11.5271 -58.4139 GPRESSAVG: 1767000 8.39796 -22.1677 13.1906 -23.5444 34.5183 -10.2427 9.27552 -11.3326 -58.504 TIMING: 1767000 CPU: 5123.06, 0.00289896/step Wall: 5123.06, 0.00289897/step, 2.60343 hours remaining, 209.582031 MB of memory in use. ENERGY: 1767000 771.5843 2115.0865 1974.5175 115.8140 -206099.7654 17597.7132 0.0000 0.0000 34067.3062 -149457.7436 297.5183 -183525.0498 -149363.3162 298.9015 -159.2846 -125.5529 556134.2783 -5.2364 -5.1959 PRESSURE: 1767200 -32.2297 -187.551 -32.0617 -187.55 -42.5242 131.462 -32.0629 131.462 -275.655 GPRESSURE: 1767200 37.0844 -126.483 68.2777 -271.806 -19.9386 34.5509 -115.218 238.728 -272.505 PRESSAVG: 1767200 -45.5073 -37.8796 33.876 -37.8796 51.8459 20.9745 33.876 20.9744 -25.559 GPRESSAVG: 1767200 -44.4521 -37.2135 32.6306 -38.178 50.7778 19.0753 34.7842 20.7355 -24.8318 TIMING: 1767200 CPU: 5123.64, 0.00289695/step Wall: 5123.64, 0.00289695/step, 2.60146 hours remaining, 209.582031 MB of memory in use. ENERGY: 1767200 734.3368 2043.8232 1937.3681 123.3406 -206203.9951 17718.2128 0.0000 0.0000 34232.1181 -149414.7955 298.9576 -183646.9136 -149324.2121 297.8081 -116.8028 -85.1198 557873.6595 -6.4068 -6.1687 PRESSURE: 1767400 -254.207 -2.59547 124.294 -2.59421 -279.165 7.29335 124.294 7.29385 -93.3148 GPRESSURE: 1767400 -216.539 -0.820023 119.438 2.07732 -275.992 -8.427 105.66 79.8798 -39.9673 PRESSAVG: 1767400 13.8057 -43.4048 96.0376 -43.4048 -29.2507 -1.95645 96.0376 -1.95657 32.3238 GPRESSAVG: 1767400 14.7681 -43.3335 94.8206 -42.2698 -28.388 1.42828 97.3101 -2.17701 30.9811 TIMING: 1767400 CPU: 5124.21, 0.00288164/step Wall: 5124.21, 0.00288164/step, 2.58755 hours remaining, 209.785156 MB of memory in use. ENERGY: 1767400 729.2885 2032.6774 1959.4127 106.8694 -205786.2803 17431.1358 0.0000 0.0000 34047.2519 -149479.6444 297.3431 -183526.8963 -149381.2974 298.2405 -208.8958 -177.4992 558850.3708 5.6263 5.7871 PRESSURE: 1767600 -11.5507 -8.9173 -45.8593 -8.9189 -50.2701 160.716 -45.859 160.714 109.127 GPRESSURE: 1767600 47.5608 41.8045 -30.2802 38.3455 -15.962 73.0186 -81.8249 212.339 112.097 PRESSAVG: 1767600 4.60698 -18.4683 37.6561 -18.4684 -83.3938 70.3775 37.6561 70.3775 51.6895 GPRESSAVG: 1767600 2.26727 -21.5766 39.8942 -17.8435 -81.6373 68.2609 35.1749 70.41 52.4586 TIMING: 1767600 CPU: 5124.79, 0.0028949/step Wall: 5124.79, 0.0028949/step, 2.5993 hours remaining, 209.785156 MB of memory in use. ENERGY: 1767600 740.9461 2071.3812 1978.7778 121.1075 -206282.7762 17894.4554 0.0000 0.0000 34113.4635 -149362.6447 297.9214 -183476.1082 -149271.3463 298.4465 15.7686 47.8987 557415.5328 -9.0324 -8.9705 PRESSURE: 1767800 210.223 -39.7675 34.4444 -39.7676 131.516 138.467 34.4444 138.466 28.0264 GPRESSURE: 1767800 227.708 -12.7805 142.815 -39.151 198.647 136.713 -26.2502 50.9597 41.0326 PRESSAVG: 1767800 -2.52828 -43.7051 4.85766 -43.705 19.3697 25.2794 4.85768 25.2793 -35.6761 GPRESSAVG: 1767800 -1.30095 -40.4011 4.59629 -45.1714 18.0286 26.6443 6.47783 25.2343 -34.9703 TIMING: 1767800 CPU: 5125.38, 0.00293032/step Wall: 5125.38, 0.00293032/step, 2.63094 hours remaining, 209.785156 MB of memory in use. ENERGY: 1767800 749.9717 2102.6234 1945.2306 119.3969 -206891.3096 18252.1247 0.0000 0.0000 34185.5534 -149536.4088 298.5509 -183721.9622 -149442.5658 298.5280 123.2552 155.7961 557406.2251 -6.2782 -6.0809 PRESSURE: 1768000 -3.97386 -99.3693 14.3657 -99.3698 -115.169 -38.9853 14.366 -38.985 -109.686 GPRESSURE: 1768000 -1.59339 -86.5726 52.9471 -114.266 -39.7721 23.0304 -8.22879 -66.0181 -104.357 PRESSAVG: 1768000 48.1682 11.2175 0.689061 11.2174 -60.5237 0.997001 0.689128 0.997135 -12.9501 GPRESSAVG: 1768000 49.2122 8.61443 1.03017 11.6753 -59.1171 0.315093 -2.8579 -0.472413 -15.5173 TIMING: 1768000 CPU: 5125.97, 0.00293601/step Wall: 5125.97, 0.00293601/step, 2.63589 hours remaining, 209.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1768000 763.7271 2086.3560 1971.0945 112.3814 -206463.2179 17858.6481 0.0000 0.0000 34241.8062 -149429.2046 299.0422 -183671.0108 -149339.7601 298.4513 -76.2764 -48.5743 557902.4983 -8.4352 -8.4741 PRESSURE: 1768200 -120.515 140.115 179.385 140.115 -28.0315 -1.06692 179.384 -1.06742 -40.2188 GPRESSURE: 1768200 -81.1138 211.242 176.9 208.387 -11.6703 5.46297 207.939 46.2424 0.774849 PRESSAVG: 1768200 51.5545 9.08168 -6.70597 9.0817 -19.3304 17.73 -6.70602 17.73 -37.7965 GPRESSAVG: 1768200 51.7817 7.4082 -7.6119 10.7675 -20.2946 17.1978 -4.04273 19.2101 -36.5198 TIMING: 1768200 CPU: 5126.55, 0.00289517/step Wall: 5126.55, 0.00289517/step, 2.59906 hours remaining, 209.785156 MB of memory in use. ENERGY: 1768200 749.0505 2086.8593 1954.2468 119.7804 -206199.9856 17697.7387 0.0000 0.0000 34126.7240 -149465.5860 298.0372 -183592.3100 -149380.7829 298.5531 -62.9217 -30.6697 558100.5448 -1.8575 -1.6776 LDB: ============= START OF LOAD BALANCING ============== 5129.93 LDB: ============== END OF LOAD BALANCING =============== 5129.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5129.93 LDB: ============= START OF LOAD BALANCING ============== 5130.22 LDB: Largest compute 4820 load 0.024403 is 20.7% of average load 0.117920 LDB: Average compute 0.001716 is 1.5% of average load 0.117920 LDB: TIME 5130.22 LOAD: AVG 0.11792 MAX 0.179451 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 5130.22 LOAD: AVG 0.11792 MAX 0.179451 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: TIME 5130.22 LOAD: AVG 0.11792 MAX 0.179451 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5130.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5130.23 PRESSURE: 1768400 98.1005 163.852 -47.3557 163.852 88.2885 -157.702 -47.3558 -157.7 77.5397 GPRESSURE: 1768400 98.3028 101.178 -19.0211 262.505 132.146 -201.908 -69.6948 -184.778 124.98 PRESSAVG: 1768400 -18.1792 16.2757 31.2507 16.2757 -16.3027 -13.1189 31.2507 -13.1188 17.6348 GPRESSAVG: 1768400 -18.7275 16.7496 30.7227 17.1402 -15.8651 -13.2606 32.3275 -12.3427 17.7218 TIMING: 1768400 CPU: 5127.14, 0.00294399/step Wall: 5127.14, 0.00294399/step, 2.64272 hours remaining, 208.542969 MB of memory in use. ENERGY: 1768400 726.1039 2137.0040 1973.5249 129.1815 -206554.1094 17912.6077 0.0000 0.0000 34474.0531 -149201.6344 301.0705 -183675.6875 -149105.5548 299.3479 87.9762 118.4760 557949.4025 -5.6157 -5.6236 PRESSURE: 1768600 -18.3996 115.444 142.084 115.444 346.763 104.673 142.083 104.673 247.966 GPRESSURE: 1768600 71.8291 77.7167 173.691 173.706 377.584 141.22 90.7434 132.669 225.498 PRESSAVG: 1768600 -26.0986 19.6146 29.7833 19.6145 8.35036 -27.0892 29.7833 -27.0892 72.2725 GPRESSAVG: 1768600 -25.5804 20.346 32.4408 18.1177 7.20363 -28.1239 29.0499 -26.2443 72.8694 TIMING: 1768600 CPU: 5127.71, 0.00288915/step Wall: 5127.71, 0.00288915/step, 2.59333 hours remaining, 208.542969 MB of memory in use. ENERGY: 1768600 724.0355 2079.8035 1977.4591 117.3411 -206595.1593 18144.0517 0.0000 0.0000 34459.6485 -149092.8201 300.9447 -183552.4685 -148997.1871 299.8844 192.1098 224.9705 557696.2103 18.1747 18.1642 PRESSURE: 1768800 62.6182 -17.3961 -47.4121 -17.3962 104.195 -125.664 -47.4132 -125.663 -3.11651 GPRESSURE: 1768800 123.227 -51.1082 -50.0008 -73.0357 124.463 -32.7135 -37.1069 -144.454 12.0482 PRESSAVG: 1768800 -50.855 -48.6145 27.3829 -48.6146 73.3952 -26.8752 27.3829 -26.8752 -45.986 GPRESSAVG: 1768800 -52.4151 -48.2551 26.512 -50.3756 74.8756 -26.9262 26.6671 -27.8859 -46.7989 TIMING: 1768800 CPU: 5128.29, 0.00289296/step Wall: 5128.29, 0.00289296/step, 2.59659 hours remaining, 208.542969 MB of memory in use. ENERGY: 1768800 725.4723 2052.6171 1987.2812 125.4438 -206071.1593 17877.4565 0.0000 0.0000 34220.1261 -149082.7623 298.8529 -183302.8884 -148993.4748 299.6862 54.5654 86.5794 557872.4948 -7.8153 -8.1128 PRESSURE: 1769000 -153.582 -31.7247 131.209 -31.7245 -7.76392 3.38664 131.209 3.38641 -86.9997 GPRESSURE: 1769000 -76.4549 -35.1491 127.014 -66.6922 13.1203 22.9842 115.109 9.1002 -82.0566 PRESSAVG: 1769000 -33.7772 -22.3406 -35.6257 -22.3406 16.6436 -5.21412 -35.6258 -5.21408 -37.1544 GPRESSAVG: 1769000 -34.1292 -22.4296 -37.48 -22.5594 15.9711 -4.75176 -34.0988 -4.88833 -36.1267 TIMING: 1769000 CPU: 5128.87, 0.00287553/step Wall: 5128.87, 0.00287553/step, 2.58079 hours remaining, 208.542969 MB of memory in use. ENERGY: 1769000 747.7241 2059.4484 1942.7656 124.0751 -206063.5502 17760.9946 0.0000 0.0000 34209.7235 -149218.8188 298.7620 -183428.5423 -149127.3927 299.1940 -82.7820 -48.4637 558003.7590 -18.0960 -18.0949 PRESSURE: 1769200 -353.252 124.714 -45.1504 124.715 -159.282 10.8745 -45.1522 10.8724 48.7466 GPRESSURE: 1769200 -323.328 158.897 39.9136 72.2951 -133.44 31.0634 -104.631 38.9724 94.7966 PRESSAVG: 1769200 13.9009 12.3682 15.9337 12.3682 52.636 8.33863 15.9337 8.33853 -69.4579 GPRESSAVG: 1769200 14.0535 12.0758 19.1456 12.074 52.9562 9.28027 14.461 9.56176 -69.2541 TIMING: 1769200 CPU: 5129.44, 0.00288629/step Wall: 5129.44, 0.00288629/step, 2.59028 hours remaining, 208.542969 MB of memory in use. ENERGY: 1769200 755.5989 2109.4882 1954.9326 120.7398 -205812.2755 17614.1189 0.0000 0.0000 34084.3553 -149173.0417 297.6672 -183257.3970 -149070.7230 299.6292 -154.5956 -120.6570 559024.4486 -0.9737 -0.7481 PRESSURE: 1769400 -124.036 110.817 21.9364 110.817 -178.67 -9.66538 21.9365 -9.66386 -99.4258 GPRESSURE: 1769400 -148.554 130.529 66.5774 159.104 -184.174 -38.4317 60.6629 -32.2505 28.1464 PRESSAVG: 1769400 16.5966 -19.8444 46.5793 -19.8444 34.1951 16.7988 46.5793 16.7987 0.0894142 GPRESSAVG: 1769400 16.9455 -19.688 45.1012 -17.8466 33.4637 15.9882 47.0654 14.3544 0.871597 TIMING: 1769400 CPU: 5130.02, 0.00287956/step Wall: 5130.02, 0.00287956/step, 2.58408 hours remaining, 208.542969 MB of memory in use. ENERGY: 1769400 729.2267 2092.2411 1945.4671 118.7120 -205915.0822 17586.8893 0.0000 0.0000 34295.5617 -149146.9843 299.5117 -183442.5461 -149053.6266 298.9961 -134.0439 -101.5272 559283.8321 16.9604 17.0936 PRESSURE: 1769600 -58.1973 22.7881 44.3087 22.7861 -120.135 -151.066 44.3086 -151.065 -187.218 GPRESSURE: 1769600 -71.4998 43.0694 94.3821 14.5293 -73.0523 -158.744 -0.190189 -57.1185 -113.17 PRESSAVG: 1769600 -11.796 33.5285 9.01644 33.5284 61.0043 -0.322179 9.01638 -0.322333 -69.5637 GPRESSAVG: 1769600 -12.8374 34.6725 9.8096 32.9814 62.0544 0.0815907 8.77561 -0.0359052 -69.9506 TIMING: 1769600 CPU: 5130.6, 0.00287918/step Wall: 5130.6, 0.00287918/step, 2.58358 hours remaining, 208.542969 MB of memory in use. ENERGY: 1769600 729.1715 2046.3907 1939.9152 117.1533 -205491.8091 17585.7124 0.0000 0.0000 33945.6124 -149127.8535 296.4555 -183073.4659 -149025.9751 298.9597 -121.8502 -85.9073 559113.5995 -6.7851 -6.9112 PRESSURE: 1769800 -170.959 15.2238 194.62 15.2243 2.59584 -41.5694 194.621 -41.5705 -78.3505 GPRESSURE: 1769800 -124.966 -49.5144 163.552 -31.3225 52.54 -45.9239 252.293 -53.0273 -69.2587 PRESSAVG: 1769800 -58.8035 8.82458 -20.2427 8.82458 83.5592 -20.5413 -20.2427 -20.5413 -1.30564 GPRESSAVG: 1769800 -58.585 7.80067 -19.591 9.67483 83.5497 -22.9738 -18.7225 -18.7231 -1.96189 TIMING: 1769800 CPU: 5131.17, 0.00287597/step Wall: 5131.17, 0.00287597/step, 2.58054 hours remaining, 208.542969 MB of memory in use. ENERGY: 1769800 747.9054 2077.4017 1944.3625 114.1502 -205961.9890 17761.2044 0.0000 0.0000 34268.0150 -149048.9499 299.2711 -183316.9649 -148956.3431 299.4230 -82.2378 -47.2281 558622.0922 7.8167 7.6676 PRESSURE: 1770000 -229.39 -120.155 -34.447 -120.153 35.1359 14.136 -34.4465 14.1356 -74.2356 GPRESSURE: 1770000 -221.745 -137.629 -22.0471 -154.067 71.2236 -66.2475 28.0123 92.3177 -15.7636 PRESSAVG: 1770000 -51.3354 -18.1212 -16.536 -18.1212 63.901 -0.21623 -16.536 -0.216184 -2.94292 GPRESSAVG: 1770000 -51.4674 -18.1638 -18.7028 -18.2573 63.9117 2.59698 -18.6354 -1.42642 -2.7323 TIMING: 1770000 CPU: 5131.75, 0.00288241/step Wall: 5131.75, 0.00288241/step, 2.58616 hours remaining, 208.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1770000 742.5588 2035.9953 1972.9077 104.4677 -206082.0700 17692.2147 0.0000 0.0000 34637.2690 -148896.6568 302.4959 -183533.9258 -148799.6785 300.0450 -89.4966 -55.4283 558373.6607 3.2075 3.2374 PRESSURE: 1770200 -348.036 -120.219 16.5964 -120.22 -135.926 79.6287 16.597 79.6304 -199.739 GPRESSURE: 1770200 -265.184 -96.5105 -41.2452 -114.736 -135.65 126.87 51.8375 41.4101 -185.724 PRESSAVG: 1770200 -92.91 -6.70532 2.65439 -6.70535 93.5519 -7.59915 2.6545 -7.59909 11.5428 GPRESSAVG: 1770200 -91.9035 -7.04564 4.13027 -6.4042 92.2826 -7.62965 3.32224 -8.51589 11.7915 TIMING: 1770200 CPU: 5132.32, 0.00288246/step Wall: 5132.32, 0.00288246/step, 2.58605 hours remaining, 208.867188 MB of memory in use. ENERGY: 1770200 729.7413 2119.9983 1978.5450 100.0559 -205855.1740 17430.4966 0.0000 0.0000 34632.4892 -148863.8477 302.4541 -183496.3369 -148767.9375 301.0156 -227.9001 -195.5195 558959.4990 4.0616 4.0569 PRESSURE: 1770400 232.692 117.24 -40.908 117.239 -145.857 -114.131 -40.9069 -114.13 -32.0017 GPRESSURE: 1770400 219.359 102.262 -14.147 146.599 -44.5855 -118.385 -96.8519 -87.8935 -18.8175 PRESSAVG: 1770400 1.92556 -13.7962 33.0206 -13.7963 -16.9557 -7.86494 33.0206 -7.86487 31.8831 GPRESSAVG: 1770400 0.987396 -11.0054 31.3975 -14.234 -16.3348 -7.77082 33.8885 -8.12985 32.0307 TIMING: 1770400 CPU: 5132.9, 0.0028895/step Wall: 5132.9, 0.0028895/step, 2.5922 hours remaining, 208.867188 MB of memory in use. ENERGY: 1770400 755.8611 2090.4040 1943.4111 116.6197 -205880.1648 17809.7236 0.0000 0.0000 34313.2508 -148850.8945 299.6662 -183164.1452 -148756.7678 300.4630 18.2777 51.9852 557853.5950 5.6176 5.5611 PRESSURE: 1770600 16.0312 49.2006 -33.6459 49.2009 2.2823 31.3755 -33.6463 31.3759 -157.219 GPRESSURE: 1770600 34.4183 72.6698 -99.0782 121.636 103.945 10.7013 -9.43681 23.1515 -173.838 PRESSAVG: 1770600 6.60237 29.0465 26.5659 29.0465 57.8794 -28.3146 26.5658 -28.3147 -64.0026 GPRESSAVG: 1770600 5.79073 27.7439 27.444 30.053 58.9536 -31.5936 24.7734 -25.8934 -64.9471 TIMING: 1770600 CPU: 5133.48, 0.00286725/step Wall: 5133.48, 0.00286725/step, 2.57209 hours remaining, 208.867188 MB of memory in use. ENERGY: 1770600 746.2019 2155.5947 1947.4642 106.7093 -205675.9058 17663.5792 0.0000 0.0000 34324.7513 -148731.6053 299.7666 -183056.3566 -148641.5569 301.1924 -46.3019 -11.8250 558277.8300 0.1597 -0.0676 PRESSURE: 1770800 127.456 254.552 112.087 254.552 79.3778 -35.8162 112.087 -35.815 69.1345 GPRESSURE: 1770800 126.312 236.379 49.8663 191.79 155.569 -105.55 181.425 -35.4253 97.9506 PRESSAVG: 1770800 -16.8132 17.6491 -5.39948 17.6491 27.2208 40.625 -5.39954 40.625 30.5527 GPRESSAVG: 1770800 -15.5973 14.6091 -5.99758 18.1736 27.2346 43.1307 -4.16168 40.1984 29.4732 TIMING: 1770800 CPU: 5134.05, 0.00286853/step Wall: 5134.05, 0.00286853/step, 2.57307 hours remaining, 208.867188 MB of memory in use. ENERGY: 1770800 745.9416 2127.9257 1957.5499 108.6899 -205913.3388 17876.3677 0.0000 0.0000 34374.0878 -148722.7761 300.1975 -183096.8639 -148639.1323 301.1305 91.9895 126.6103 557451.4156 13.6534 13.7035 PRESSURE: 1771000 123.979 -129.612 -56.2448 -129.614 135.751 156.221 -56.2444 156.218 206.664 GPRESSURE: 1771000 179.343 -31.8877 24.254 -201.744 139.158 218.376 -68.1365 27.5743 245.5 PRESSAVG: 1771000 46.3323 -43.2268 31.7774 -43.2268 -64.0498 18.4696 31.7774 18.4695 0.793189 GPRESSAVG: 1771000 45.9692 -39.8417 32.3433 -44.6605 -65.602 18.3693 30.9909 16.7381 2.77026 TIMING: 1771000 CPU: 5134.63, 0.00289712/step Wall: 5134.63, 0.00289712/step, 2.59856 hours remaining, 208.867188 MB of memory in use. ENERGY: 1771000 739.1097 2054.9751 1962.3580 111.6556 -205904.4767 17823.2886 0.0000 0.0000 34336.8922 -148876.1975 299.8726 -183213.0897 -148783.0489 300.2967 155.4647 188.0001 558175.3742 -5.6414 -5.6208 PRESSURE: 1771200 -27.8111 -28.8065 76.7433 -28.8056 92.5981 -87.2346 76.7431 -87.2365 222.509 GPRESSURE: 1771200 -40.074 -29.0315 89.297 29.7165 146.817 -56.7085 -18.0225 -64.4805 263.6 PRESSAVG: 1771200 28.0699 -22.8677 8.07822 -22.8677 -9.79906 10.8423 8.07834 10.8423 12.8333 GPRESSAVG: 1771200 28.4095 -26.4904 9.14628 -21.2365 -10.199 9.87775 7.62223 12.0174 12.7399 TIMING: 1771200 CPU: 5135.21, 0.00290662/step Wall: 5135.21, 0.00290662/step, 2.60692 hours remaining, 208.867188 MB of memory in use. ENERGY: 1771200 749.9958 2086.4682 1944.2709 115.0356 -205997.6008 17940.9137 0.0000 0.0000 34363.6145 -148797.3022 300.1060 -183160.9166 -148701.1865 300.0587 95.7655 123.4476 558398.7476 10.3681 10.3168 PRESSURE: 1771400 84.026 93.5587 -255.684 93.5578 -21.677 159.18 -255.683 159.18 -45.0807 GPRESSURE: 1771400 87.0821 59.6598 -239.361 87.2168 19.0498 118.234 -229.952 184.628 5.99826 PRESSAVG: 1771400 38.9809 25.5685 -4.43228 25.5685 -20.7549 -11.0016 -4.43222 -11.0015 23.4356 GPRESSAVG: 1771400 37.6989 27.3605 -6.93661 26.1557 -19.6768 -10.1269 -4.55768 -10.5334 23.2491 TIMING: 1771400 CPU: 5135.78, 0.00287172/step Wall: 5135.78, 0.00287172/step, 2.57545 hours remaining, 208.867188 MB of memory in use. ENERGY: 1771400 765.4551 2042.1955 1935.5607 116.4110 -205909.9338 17797.2076 0.0000 0.0000 34594.6466 -148658.4573 302.1237 -183253.1039 -148555.0021 300.9202 5.7561 37.3767 557588.6967 13.8872 13.7571 PRESSURE: 1771600 169.124 -26.4455 130.484 -26.4456 130.675 -190.659 130.483 -190.659 242.42 GPRESSURE: 1771600 199.227 0.432761 135.886 -128.013 175.635 -218.465 114.178 -218.837 263.763 PRESSAVG: 1771600 -29.239 39.6095 -61.8514 39.6095 21.8342 32.4277 -61.8514 32.4277 46.1754 GPRESSAVG: 1771600 -28.8988 40.0757 -60.9538 37.7067 22.405 32.4155 -61.5002 30.3041 44.8622 TIMING: 1771600 CPU: 5136.36, 0.00288228/step Wall: 5136.36, 0.00288228/step, 2.58477 hours remaining, 208.867188 MB of memory in use. ENERGY: 1771600 750.0667 2033.7755 1950.4701 105.9530 -205959.5074 17910.6630 0.0000 0.0000 34473.5194 -148735.0599 301.0658 -183208.5792 -148630.8537 301.3734 180.7397 212.8749 556309.3047 12.9235 12.7894 PRESSURE: 1771800 -133.772 73.2175 20.0619 73.2182 361.114 -64.0481 20.0611 -64.0481 226.346 GPRESSURE: 1771800 -0.279937 60.6668 52.568 8.82783 319.697 -52.145 97.923 -148.238 226.42 PRESSAVG: 1771800 -24.4133 17.5515 -2.2172 17.5515 19.6092 18.7212 -2.21727 18.7211 -6.43656 GPRESSAVG: 1771800 -23.9297 18.268 -4.01954 16.5908 19.3306 17.5805 -1.27852 20.4397 -6.35392 TIMING: 1771800 CPU: 5136.94, 0.00288574/step Wall: 5136.94, 0.00288574/step, 2.58771 hours remaining, 208.867188 MB of memory in use. ENERGY: 1771800 700.5521 2139.9790 1925.2524 119.8663 -205910.0092 17851.1071 0.0000 0.0000 34613.3891 -148559.8633 302.2873 -183173.2523 -148460.7388 301.5521 151.2294 181.9456 558769.8265 -3.7469 -3.6510 PRESSURE: 1772000 20.3866 53.853 34.0797 53.8541 274.359 -82.375 34.0793 -82.3739 501.952 GPRESSURE: 1772000 107.706 96.4084 63.7666 -3.98823 294.643 -91.0259 32.326 -68.9569 477.384 PRESSAVG: 1772000 -52.7666 13.9182 -2.91529 13.9183 -29.7699 -0.951812 -2.91534 -0.951847 100.477 GPRESSAVG: 1772000 -52.6039 13.0133 -0.686001 16.0523 -29.871 -1.2815 -3.6376 -2.52366 100.649 TIMING: 1772000 CPU: 5137.51, 0.00288195/step Wall: 5137.51, 0.00288195/step, 2.58415 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1772000 730.3252 2076.7977 1955.8617 126.9981 -206316.9151 18180.0365 0.0000 0.0000 34450.8552 -148796.0408 300.8679 -183246.8960 -148705.5991 300.9806 265.5656 293.2443 558178.5497 5.9801 6.0582 PRESSURE: 1772200 45.9767 15.305 213.934 15.3035 -189.239 -53.0783 213.935 -53.0771 -23.7699 GPRESSURE: 1772200 83.7581 -39.1601 130.623 55.7364 -173.295 -50.9584 244.92 13.6975 2.00548 PRESSAVG: 1772200 26.3084 36.0026 0.645561 36.0027 -6.96196 -30.7668 0.645554 -30.7667 22.6465 GPRESSAVG: 1772200 26.537 36.0304 -2.88708 32.9203 -6.81384 -29.285 1.88024 -30.4578 22.3231 TIMING: 1772200 CPU: 5138.09, 0.00289879/step Wall: 5138.09, 0.00289879/step, 2.59909 hours remaining, 208.867188 MB of memory in use. ENERGY: 1772200 747.7277 2046.6240 1943.0927 106.4276 -205955.7611 17704.6731 0.0000 0.0000 34477.2531 -148929.9629 301.0984 -183407.2160 -148829.9793 300.3015 -55.6773 -29.1771 558347.3337 13.9977 14.0154 LDB: ============= START OF LOAD BALANCING ============== 5141.48 LDB: ============== END OF LOAD BALANCING =============== 5141.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5141.48 LDB: ============= START OF LOAD BALANCING ============== 5141.77 LDB: Largest compute 4820 load 0.026188 is 22.2% of average load 0.117952 LDB: Average compute 0.001720 is 1.5% of average load 0.117952 LDB: TIME 5141.78 LOAD: AVG 0.117952 MAX 0.181417 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.539 MB LDB: TIME 5141.78 LOAD: AVG 0.117952 MAX 0.181417 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 5141.78 LOAD: AVG 0.117952 MAX 0.181417 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: ============== END OF LOAD BALANCING =============== 5141.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5141.78 PRESSURE: 1772400 178.17 135.029 20.6739 135.029 55.1015 -9.86522 20.6743 -9.86705 127.93 GPRESSURE: 1772400 160.722 138.853 48.2926 119.606 89.7463 63.8083 -0.25736 -40.8106 206.39 PRESSAVG: 1772400 -55.4042 75.9528 8.94283 75.9528 15.7845 -87.8358 8.94286 -87.8358 23.0434 GPRESSAVG: 1772400 -54.8829 76.0161 9.62762 77.7517 15.6426 -88.7619 8.12671 -86.2848 22.5145 TIMING: 1772400 CPU: 5138.69, 0.00296098/step Wall: 5138.69, 0.00296098/step, 2.65468 hours remaining, 209.820312 MB of memory in use. ENERGY: 1772400 721.7445 2090.5298 1961.0566 128.3481 -206058.7346 17774.4782 0.0000 0.0000 34304.6994 -149077.8780 299.5915 -183382.5774 -148981.5362 299.9759 120.4006 152.2863 556882.2135 -5.5254 -5.5753 PRESSURE: 1772600 -93.1852 -35.3308 -38.4722 -35.3312 -21.7733 -230.405 -38.4712 -230.404 1.50051 GPRESSURE: 1772600 -122.126 15.3255 11.1068 -80.0847 -1.81823 -376.487 -52.58 -171.484 114.775 PRESSAVG: 1772600 -45.4993 13.5527 10.2166 13.5527 -10.7691 12.5326 10.2165 12.5326 2.39642 GPRESSAVG: 1772600 -46.9897 13.8775 11.819 12.7809 -10.7655 10.7719 8.92326 14.0096 3.75382 TIMING: 1772600 CPU: 5139.27, 0.00291417/step Wall: 5139.27, 0.00291417/step, 2.61255 hours remaining, 209.820312 MB of memory in use. ENERGY: 1772600 733.9233 2015.7937 1951.4370 113.4288 -205947.0326 17707.6809 0.0000 0.0000 34132.6161 -149292.1529 298.0886 -183424.7690 -149187.8129 299.2074 -37.8193 -3.0563 557025.1231 -17.9573 -18.0004 PRESSURE: 1772800 -189.223 79.4015 6.98111 79.4022 -374.344 -66.8439 6.98127 -66.8441 -268.243 GPRESSURE: 1772800 -191.106 68.6271 55.4581 8.25793 -323.657 -136.437 -53.9657 -10.787 -212.715 PRESSAVG: 1772800 -15.9362 4.34558 60.0829 4.34552 -6.39145 -55.1634 60.083 -55.1633 11.4677 GPRESSAVG: 1772800 -14.1775 3.32109 60.399 5.32673 -6.79287 -56.7777 59.5076 -56.6078 10.137 TIMING: 1772800 CPU: 5139.85, 0.00291685/step Wall: 5139.85, 0.00291685/step, 2.61479 hours remaining, 209.820312 MB of memory in use. ENERGY: 1772800 777.7802 2052.6140 1971.4016 134.1725 -206116.3738 17571.2605 0.0000 0.0000 34298.6909 -149310.4542 299.5390 -183609.1451 -149212.7004 298.1514 -277.2703 -242.4926 558797.3318 -3.6200 -3.6111 PRESSURE: 1773000 -129.627 -169.521 70.9933 -169.521 -26.5761 -106.361 70.9935 -106.361 181.205 GPRESSURE: 1773000 -105.928 -246.529 142.768 -183.302 9.71268 19.7723 10.0711 -132.927 216.739 PRESSAVG: 1773000 2.0422 17.869 57.7973 17.8691 -37.6823 1.60454 57.7973 1.60459 5.6866 GPRESSAVG: 1773000 1.20563 17.2831 57.0414 19.9406 -36.5226 4.39202 59.7714 -0.777688 6.23768 TIMING: 1773000 CPU: 5140.43, 0.00289439/step Wall: 5140.43, 0.00289439/step, 2.5945 hours remaining, 209.820312 MB of memory in use. ENERGY: 1773000 732.4411 2018.8547 1940.3683 122.3202 -205918.8288 17594.9356 0.0000 0.0000 34114.0658 -149395.8432 297.9266 -183509.9090 -149290.3637 298.7031 8.3339 40.1747 556794.0555 -9.9845 -9.6931 PRESSURE: 1773200 79.7194 28.6719 -90.5595 28.6707 247.755 -162.712 -90.5585 -162.713 -33.1013 GPRESSURE: 1773200 96.2674 -4.55109 -134.916 52.853 297.828 -124.772 -46.6184 -192.732 -9.10605 PRESSAVG: 1773200 -26.5682 5.64626 22.4868 5.64622 62.9012 21.1562 22.4868 21.1562 -22.805 GPRESSAVG: 1773200 -27.9512 5.35288 22.3618 4.52792 64.2205 23.3526 22.7991 21.7975 -22.8045 TIMING: 1773200 CPU: 5141.01, 0.00289601/step Wall: 5141.01, 0.00289601/step, 2.59579 hours remaining, 209.820312 MB of memory in use. ENERGY: 1773200 748.1659 2070.9663 1920.4282 98.5128 -205869.8594 17655.1891 0.0000 0.0000 34030.8767 -149345.7204 297.2001 -183376.5971 -149251.8170 298.2006 98.1244 128.3299 555784.3146 4.5093 4.4883 PRESSURE: 1773400 97.4894 7.35155 -199.982 7.35083 -117.96 105.327 -199.982 105.328 220.431 GPRESSURE: 1773400 84.0809 60.7584 -161.84 -30.7253 -46.3492 85.5074 -280.516 91.7976 258.079 PRESSAVG: 1773400 30.2114 -20.6016 -30.6511 -20.6017 25.189 -47.1258 -30.6511 -47.1258 -45.012 GPRESSAVG: 1773400 30.8827 -19.3699 -30.933 -21.0784 24.0003 -50.9578 -30.8934 -46.5598 -44.8905 TIMING: 1773400 CPU: 5141.59, 0.00292404/step Wall: 5141.59, 0.00292404/step, 2.62075 hours remaining, 209.820312 MB of memory in use. ENERGY: 1773400 728.3109 2065.0230 1942.7100 119.9562 -206387.3966 17986.3845 0.0000 0.0000 34218.6713 -149326.3407 298.8402 -183545.0120 -149231.8920 298.2315 66.6536 98.6036 556518.2900 3.4628 3.3308 PRESSURE: 1773600 40.8412 -107.845 -45.8668 -107.847 68.6219 0.441379 -45.8661 0.442549 -42.775 GPRESSURE: 1773600 85.3256 -162.804 -23.6431 -106.061 120.83 14.5663 -88.5586 27.2639 -33.0617 PRESSAVG: 1773600 -38.656 -1.02279 -2.18829 -1.02281 1.00237 34.1415 -2.18834 34.1415 23.96 GPRESSAVG: 1773600 -38.6434 -1.19064 -3.0722 0.130293 1.17747 35.2298 -1.3196 34.9055 24.0835 TIMING: 1773600 CPU: 5142.18, 0.00291679/step Wall: 5142.18, 0.00291679/step, 2.61409 hours remaining, 209.820312 MB of memory in use. ENERGY: 1773600 759.3986 2062.3634 1949.9597 121.6110 -206300.3128 17891.4917 0.0000 0.0000 34215.3318 -149300.1567 298.8110 -183515.4885 -149196.3062 299.0164 22.2294 57.6980 556240.2139 -4.5645 -4.4608 PRESSURE: 1773800 -115.525 79.4064 -40.6881 79.4065 -164.919 27.2918 -40.6878 27.2906 -204.588 GPRESSURE: 1773800 -107.097 38.8738 -54.8297 122.268 -141.149 -6.95605 -25.7088 20.3893 -141.469 PRESSAVG: 1773800 -57.0719 -52.879 5.51913 -52.8789 36.3555 -2.8382 5.51905 -2.83822 60.38 GPRESSAVG: 1773800 -56.8723 -53.4793 6.75628 -52.8099 35.7632 -2.73613 4.53692 -3.69131 60.3443 TIMING: 1773800 CPU: 5142.76, 0.00289838/step Wall: 5142.76, 0.00289838/step, 2.59743 hours remaining, 209.820312 MB of memory in use. ENERGY: 1773800 735.4621 2079.8276 1978.5141 109.5391 -205863.4149 17580.9343 0.0000 0.0000 34224.3468 -149154.7910 298.8897 -183379.1378 -149058.4334 299.5613 -161.6771 -129.9051 557579.9950 13.2212 13.0784 PRESSURE: 1774000 -57.1762 199.415 -8.76944 199.414 22.2247 37.1924 -8.77039 37.1946 -111.339 GPRESSURE: 1774000 37.3355 164.406 -67.6294 201.269 0.474646 -107.114 5.12363 66.8882 -87.3583 PRESSAVG: 1774000 35.5578 3.38804 -12.645 3.38809 -48.4094 -17.4045 -12.645 -17.4044 47.7038 GPRESSAVG: 1774000 35.0085 4.53096 -13.2663 2.9457 -47.4575 -16.6717 -12.3655 -17.3938 47.6896 TIMING: 1774000 CPU: 5143.34, 0.00289255/step Wall: 5143.34, 0.00289255/step, 2.59205 hours remaining, 209.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1774000 808.3053 2014.1012 1999.8858 105.3260 -206155.1895 17858.7589 0.0000 0.0000 34261.3472 -149107.4650 299.2129 -183368.8123 -149009.1109 299.2882 -48.7633 -16.5161 558781.1130 11.6174 11.7469 PRESSURE: 1774200 111.957 105.439 124.224 105.44 -76.8604 -26.7351 124.225 -26.7364 178.484 GPRESSURE: 1774200 157.93 122.843 115.111 64.6975 3.41021 -1.99408 77.2169 4.78956 154.321 PRESSAVG: 1774200 16.4548 42.8622 -50.3164 42.8621 -36.9767 20.1216 -50.3164 20.1217 -11.5893 GPRESSAVG: 1774200 17.6309 43.1348 -49.0529 42.4548 -37.6695 19.3541 -51.8105 21.8001 -11.5158 TIMING: 1774200 CPU: 5143.92, 0.00292546/step Wall: 5143.92, 0.00292546/step, 2.62137 hours remaining, 209.820312 MB of memory in use. ENERGY: 1774200 742.6137 2113.0694 1950.1194 109.0971 -205988.1139 17738.5182 0.0000 0.0000 34432.2308 -148902.4655 300.7052 -183334.6962 -148805.0626 300.2876 71.1934 105.2205 556802.9216 -10.7037 -10.5181 PRESSURE: 1774400 -312.478 -31.343 16.3139 -31.3442 -47.9965 115.544 16.3145 115.545 -85.7171 GPRESSURE: 1774400 -314.925 -35.2065 23.079 -102.69 -11.2946 -5.2161 12.7779 174.687 -18.5243 PRESSAVG: 1774400 -14.1853 53.2154 -10.6599 53.2154 3.04125 -6.3128 -10.6599 -6.31289 13.6907 GPRESSAVG: 1774400 -15.5474 53.4609 -11.5054 50.6126 4.53091 -6.33304 -10.9571 -5.64634 13.0514 TIMING: 1774400 CPU: 5144.5, 0.00290539/step Wall: 5144.5, 0.00290539/step, 2.60322 hours remaining, 209.820312 MB of memory in use. ENERGY: 1774400 748.1949 2064.0691 1979.1556 114.4028 -206169.2508 17673.2475 0.0000 0.0000 34587.8514 -149002.3295 302.0643 -183590.1809 -148913.1029 300.1445 -148.7305 -114.9145 558774.8619 0.8489 0.6783 PRESSURE: 1774600 56.0193 -131.619 -126.539 -131.62 -0.0360122 160.766 -126.539 160.766 -4.54655 GPRESSURE: 1774600 124.915 -117.251 -174.29 -81.693 34.8104 105.006 -150.153 219.259 -9.78514 PRESSAVG: 1774600 -46.4427 -28.9832 11.3047 -28.9832 -51.4752 73.4625 11.3047 73.4626 98.8134 GPRESSAVG: 1774600 -46.4656 -29.5724 11.3046 -25.5759 -52.1411 74.1742 13.7039 71.3611 99.4579 TIMING: 1774600 CPU: 5145.08, 0.00289811/step Wall: 5145.08, 0.00289811/step, 2.59654 hours remaining, 209.820312 MB of memory in use. ENERGY: 1774600 740.0267 2080.4642 1958.9011 102.4338 -205605.5430 17673.1343 0.0000 0.0000 34222.0899 -148828.4931 298.8700 -183050.5830 -148733.2644 299.5964 17.1456 49.9802 559229.7795 0.2985 0.2837 PRESSURE: 1774800 31.9822 -77.617 -69.2126 -77.6183 31.4373 30.6728 -69.2132 30.673 -23.9636 GPRESSURE: 1774800 103.835 -103.894 -58.7649 -43.5489 69.3765 85.7687 39.5813 63.4451 -33.0975 PRESSAVG: 1774800 56.1846 -0.00183092 1.02389 -0.00185718 34.9129 56.3533 1.02389 56.3532 -55.9022 GPRESSAVG: 1774800 57.8656 0.456566 2.39131 -3.48247 34.1796 55.1335 -1.15316 58.305 -56.7742 TIMING: 1774800 CPU: 5145.67, 0.00293596/step Wall: 5145.67, 0.00293596/step, 2.63029 hours remaining, 209.820312 MB of memory in use. ENERGY: 1774800 742.6748 2088.3258 1951.6010 112.2579 -206038.3434 17749.6035 0.0000 0.0000 34441.7374 -148952.1430 300.7883 -183393.8804 -148845.7615 300.2464 13.1520 46.7048 556547.2241 11.7318 11.7570 PRESSURE: 1775000 70.0457 -150.252 21.504 -150.251 -108.374 -110.29 21.5037 -110.291 -75.4057 GPRESSURE: 1775000 92.858 -128.765 121.03 -141.128 -51.513 -97.7134 71.0669 -80.3389 -52.3312 PRESSAVG: 1775000 8.95077 -8.59294 19.1705 -8.59302 -36.3182 15.6906 19.1706 15.6907 -3.75515 GPRESSAVG: 1775000 7.30385 -9.39901 18.0731 -6.37642 -34.5763 17.5644 20.528 14.3339 -3.83127 TIMING: 1775000 CPU: 5146.25, 0.00290695/step Wall: 5146.25, 0.00290695/step, 2.60415 hours remaining, 209.820312 MB of memory in use. ENERGY: 1775000 747.6042 2010.8195 1946.2603 112.9912 -205627.6463 17683.5393 0.0000 0.0000 34302.0541 -148824.3777 299.5684 -183126.4318 -148731.1511 299.5435 -37.9113 -3.6621 558505.4856 -10.3742 -10.3679 PRESSURE: 1775200 17.439 -118.936 -0.344757 -118.937 -32.0076 -13.2033 -0.344047 -13.2049 -101.066 GPRESSURE: 1775200 21.587 -98.5253 -18.9575 -95.7011 31.7994 -18.7565 45.5989 69.9751 -77.214 PRESSAVG: 1775200 17.4926 11.0173 -18.7913 11.0172 -60.9348 -23.126 -18.7913 -23.126 36.1255 GPRESSAVG: 1775200 17.1619 12.5989 -18.5303 11.3559 -61.4026 -23.885 -20.6322 -22.0359 36.9809 TIMING: 1775200 CPU: 5146.83, 0.00291283/step Wall: 5146.83, 0.00291283/step, 2.60925 hours remaining, 209.820312 MB of memory in use. ENERGY: 1775200 676.8352 2144.3285 1997.1491 109.9527 -205553.5285 17541.5477 0.0000 0.0000 34346.9336 -148736.7816 299.9603 -183083.7152 -148638.8825 300.1244 -38.5450 -7.9425 557382.6926 -2.4389 -2.4199 PRESSURE: 1775400 -89.8511 49.4289 118.976 49.4284 -103.649 -228.991 118.978 -228.991 65.7371 GPRESSURE: 1775400 -16.473 80.6613 96.3288 -19.2012 -112.344 -112.494 162.421 -344.203 90.5722 PRESSAVG: 1775400 19.6035 -24.2097 25.7415 -24.2097 0.25176 -18.6599 25.7416 -18.66 -26.7963 GPRESSAVG: 1775400 21.0541 -23.5925 25.5064 -25.5657 -1.8851 -17.493 24.8717 -21.1697 -26.8166 TIMING: 1775400 CPU: 5147.42, 0.00291806/step Wall: 5147.42, 0.00291807/step, 2.61378 hours remaining, 209.820312 MB of memory in use. ENERGY: 1775400 761.7493 2124.7429 1945.0982 111.5333 -205832.6151 17651.0734 0.0000 0.0000 34417.3243 -148821.0937 300.5751 -183238.4180 -148724.7381 299.8360 -42.5877 -12.7482 557018.2151 -2.3137 -2.5492 PRESSURE: 1775600 6.54277 -135.998 164.988 -136 -280.876 4.11864 164.989 4.11924 80.7257 GPRESSURE: 1775600 63.4972 -172.344 167.567 -157.039 -231.089 91.1797 124.797 -36.0781 70.907 PRESSAVG: 1775600 0.57174 18.7422 46.8045 18.7422 -0.818046 55.3631 46.8044 55.3631 6.80597 GPRESSAVG: 1775600 -1.38401 17.061 47.8729 18.9838 1.5045 56.6027 48.605 56.7592 7.0586 TIMING: 1775600 CPU: 5148, 0.00293585/step Wall: 5148, 0.00293585/step, 2.62954 hours remaining, 209.820312 MB of memory in use. ENERGY: 1775600 770.4683 2096.2250 1940.4695 110.3116 -205802.5912 17622.2190 0.0000 0.0000 34341.3598 -148921.5380 299.9116 -183262.8978 -148819.7806 301.0275 -64.5358 -32.2282 557965.2396 2.1866 2.3930 PRESSURE: 1775800 -16.1712 -71.2658 78.069 -71.2649 22.7338 -124.234 78.0678 -124.235 -122.045 GPRESSURE: 1775800 15.3785 -88.6458 129.362 -46.6119 8.26467 -124.808 8.7419 -120.763 -43.5126 PRESSAVG: 1775800 14.2538 11.5757 65.0767 11.5758 -67.8877 57.7918 65.0768 57.7918 12.7483 GPRESSAVG: 1775800 15.0668 11.5952 66.3137 12.3194 -68.1257 56.6203 63.7259 57.0805 12.0459 TIMING: 1775800 CPU: 5148.59, 0.00291342/step Wall: 5148.59, 0.00291342/step, 2.6093 hours remaining, 209.820312 MB of memory in use. ENERGY: 1775800 748.7696 2106.4358 1942.8815 113.0687 -205995.3908 17782.7791 0.0000 0.0000 34582.9604 -148718.4957 302.0216 -183301.4561 -148620.0721 300.3854 -38.4942 -6.6231 557587.4030 -13.6285 -13.6710 PRESSURE: 1776000 57.7609 114.877 -149.967 114.877 -38.6385 56.0231 -149.967 56.0228 18.7679 GPRESSURE: 1776000 112.419 119.956 -120.399 102.728 -52.4068 7.48831 -143.892 94.7369 73.3856 PRESSAVG: 1776000 10.0301 -18.4789 38.426 -18.4789 -22.0868 -3.39567 38.426 -3.39549 -6.43884 GPRESSAVG: 1776000 10.7851 -17.8854 35.7462 -17.2138 -23.1501 -4.09305 41.0235 -3.22885 -6.09412 TIMING: 1776000 CPU: 5149.17, 0.00290315/step Wall: 5149.17, 0.00290315/step, 2.59994 hours remaining, 209.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1776000 756.3489 2007.6725 1950.4149 105.8315 -205686.8070 17737.0788 0.0000 0.0000 34444.9902 -148684.4702 300.8167 -183129.4604 -148589.3412 300.7850 12.6301 44.4658 557627.9950 -6.1652 -6.1531 PRESSURE: 1776200 -250.948 -36.713 -19.0359 -36.7134 -270.755 151.518 -19.0359 151.516 -83.9174 GPRESSURE: 1776200 -161.188 21.8552 40.5638 10.7883 -261.443 67.1222 -44.6968 170.83 -77.7094 PRESSAVG: 1776200 -10.1246 4.9689 42.6045 4.96892 7.66246 28.8581 42.6046 28.8581 9.78613 GPRESSAVG: 1776200 -11.0135 5.50797 43.3661 4.00287 8.60168 29.183 41.4751 29.2048 9.65271 TIMING: 1776200 CPU: 5149.75, 0.00290177/step Wall: 5149.75, 0.00290177/step, 2.59854 hours remaining, 209.820312 MB of memory in use. ENERGY: 1776200 732.6013 2068.4298 1961.5786 113.3317 -205587.6926 17436.2132 0.0000 0.0000 34433.4080 -148842.1299 300.7155 -183275.5379 -148740.4716 300.4918 -201.8735 -166.7802 558608.5232 2.4413 2.4136 LDB: ============= START OF LOAD BALANCING ============== 5153.14 LDB: ============== END OF LOAD BALANCING =============== 5153.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5153.14 LDB: ============= START OF LOAD BALANCING ============== 5153.43 LDB: Largest compute 4820 load 0.026049 is 22.1% of average load 0.117947 LDB: Average compute 0.001727 is 1.5% of average load 0.117947 LDB: TIME 5153.43 LOAD: AVG 0.117947 MAX 0.179384 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.785 MB LDB: TIME 5153.43 LOAD: AVG 0.117947 MAX 0.179384 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.789 MB LDB: TIME 5153.43 LOAD: AVG 0.117947 MAX 0.179384 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.789 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5153.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5153.44 PRESSURE: 1776400 -333.619 197.396 153.3 197.396 -30.6518 15.9202 153.301 15.9209 54.2002 GPRESSURE: 1776400 -273.566 147.067 131.938 268.921 -26.1123 139.566 59.6387 -78.9156 89.6809 PRESSAVG: 1776400 13.0077 20.2643 -1.91788 20.2644 13.8297 -11.0705 -1.91796 -11.0705 -51.3598 GPRESSAVG: 1776400 13.1888 17.1603 -1.58518 19.7831 12.6637 -9.30101 -3.19822 -11.2598 -49.9231 TIMING: 1776400 CPU: 5150.34, 0.00296727/step Wall: 5150.34, 0.00296727/step, 2.65703 hours remaining, 207.917969 MB of memory in use. ENERGY: 1776400 746.3576 2062.7758 1977.7942 111.4294 -205840.2236 17706.0894 0.0000 0.0000 34345.1705 -148890.6067 299.9449 -183235.7771 -148794.9754 300.5558 -103.3569 -69.9993 559581.9682 -8.1741 -8.0235 PRESSURE: 1776600 -88.8116 -24.2078 -105.408 -24.2074 83.0153 -175.475 -105.408 -175.475 2.23011 GPRESSURE: 1776600 2.12044 -8.92938 -60.0541 64.4486 122.585 -234.516 -138.445 -100.283 -29.4177 PRESSAVG: 1776600 -10.5744 -70.0682 -24.6789 -70.0682 6.48136 -11.1919 -24.6789 -11.1918 -23.7542 GPRESSAVG: 1776600 -11.169 -67.0251 -24.7878 -68.7091 7.02267 -12.9564 -22.7918 -10.0205 -23.5517 TIMING: 1776600 CPU: 5150.92, 0.00289731/step Wall: 5150.92, 0.00289731/step, 2.59422 hours remaining, 207.917969 MB of memory in use. ENERGY: 1776600 720.7302 2133.5183 1954.8911 125.7014 -205960.1888 17823.2648 0.0000 0.0000 34517.2086 -148684.8743 301.4474 -183202.0829 -148589.0266 300.3588 -1.1887 31.7627 557651.1944 -9.2824 -9.2327 PRESSURE: 1776800 -65.2774 20.2146 -80.499 20.215 -57.0881 26.3097 -80.4989 26.308 74.5842 GPRESSURE: 1776800 12.0284 6.70991 -103.159 79.4968 -87.5106 48.5515 -63.9524 -23.0046 116.393 PRESSAVG: 1776800 14.3132 13.1303 -24.2281 13.1303 -88.389 15.5314 -24.2281 15.5314 5.68847 GPRESSAVG: 1776800 15.0278 12.4098 -25.3463 12.6381 -88.9953 17.5757 -23.8642 14.9397 5.27481 TIMING: 1776800 CPU: 5151.5, 0.00290734/step Wall: 5151.5, 0.00290734/step, 2.60304 hours remaining, 207.917969 MB of memory in use. ENERGY: 1776800 746.3407 2104.9714 1985.6502 113.2555 -205734.4508 17659.0615 0.0000 0.0000 34403.7497 -148721.4218 300.4565 -183125.1715 -148624.0232 300.6797 -15.9271 13.6369 556123.5747 -22.7958 -22.8976 PRESSURE: 1777000 -192.238 -171.269 17.9455 -171.268 56.8438 26.1222 17.946 26.1219 95.7619 GPRESSURE: 1777000 -157.187 -204.482 -0.325139 -171.832 99.3632 50.399 -30.8152 -35.0499 112.713 PRESSAVG: 1777000 -28.1473 -9.44636 16.959 -9.44637 -18.3367 17.6501 16.9591 17.65 25.023 GPRESSAVG: 1777000 -28.0288 -9.89772 18.4126 -11.2075 -19.1866 17.5634 16.6698 18.9547 25.2148 TIMING: 1777000 CPU: 5152.08, 0.00290721/step Wall: 5152.08, 0.00290721/step, 2.60276 hours remaining, 207.917969 MB of memory in use. ENERGY: 1777000 725.6789 2105.8713 1981.3454 120.3410 -205867.8482 17752.2525 0.0000 0.0000 34478.7199 -148703.6392 301.1112 -183182.3591 -148606.9701 300.6919 -13.2107 18.2962 558309.3993 -7.1536 -7.3336 PRESSURE: 1777200 -5.98577 45.3107 190.035 45.311 -48.6614 63.1211 190.034 63.1209 61.6806 GPRESSURE: 1777200 71.4612 40.9021 172.452 32.2326 -33.2927 79.5659 175.62 58.9843 63.7708 PRESSAVG: 1777200 -2.95327 3.4787 -31.4204 3.47871 -39.2362 11.531 -31.4204 11.5309 25.3163 GPRESSAVG: 1777200 -3.78756 4.13198 -31.3918 4.80234 -38.1343 9.79806 -31.8202 11.1212 25.6078 TIMING: 1777200 CPU: 5152.67, 0.00291517/step Wall: 5152.67, 0.00291517/step, 2.60973 hours remaining, 207.917969 MB of memory in use. ENERGY: 1777200 768.8071 2149.0547 1944.7419 118.7957 -205903.7671 17745.6707 0.0000 0.0000 34375.6980 -148800.9989 300.2115 -183176.6970 -148703.8642 301.3120 2.3445 33.9798 558063.3008 -5.6244 -5.4380 PRESSURE: 1777400 -49.8603 -113.445 131.196 -113.446 -42.0444 119.811 131.196 119.813 112.519 GPRESSURE: 1777400 -26.9333 -101.338 156.082 -143.74 18.7766 69.7082 35.6414 129.655 125.677 PRESSAVG: 1777400 44.8267 7.83243 64.1592 7.83246 -18.6458 28.4534 64.1592 28.4534 -20.209 GPRESSAVG: 1777400 44.3437 8.4596 63.8691 6.93591 -17.3981 30.3385 62.9914 25.466 -20.8257 TIMING: 1777400 CPU: 5153.25, 0.00290394/step Wall: 5153.25, 0.00290394/step, 2.59951 hours remaining, 207.917969 MB of memory in use. ENERGY: 1777400 739.9939 2133.6529 1946.7464 111.5110 -205991.8561 17681.4608 0.0000 0.0000 34461.7240 -148916.7672 300.9628 -183378.4912 -148824.7204 300.6952 6.8715 39.1735 556687.3626 1.9906 2.0399 PRESSURE: 1777600 -55.1226 -51.1979 35.9325 -51.1987 54.5343 -75.258 35.9315 -75.2567 71.1917 GPRESSURE: 1777600 12.3771 -49.8302 55.414 36.3944 102.102 -183.263 -84.9179 -15.5843 58.124 PRESSAVG: 1777600 -2.7725 -24.7931 38.4722 -24.7931 -39.4023 -18.2763 38.4723 -18.2762 46.4251 GPRESSAVG: 1777600 -1.99155 -26.0636 36.9653 -24.9726 -39.7705 -19.7864 38.8943 -14.7379 46.1132 TIMING: 1777600 CPU: 5153.83, 0.00289149/step Wall: 5153.83, 0.00289149/step, 2.58821 hours remaining, 207.917969 MB of memory in use. ENERGY: 1777600 770.5247 2099.7030 1965.5431 101.6440 -206090.8815 17712.5366 0.0000 0.0000 34335.9538 -149104.9763 299.8644 -183440.9302 -149015.8430 300.1259 23.5345 57.5343 556432.2709 1.4168 1.4504 PRESSURE: 1777800 -82.012 -14.5415 -4.79776 -14.5413 16.943 47.9755 -4.79728 47.9755 67.7964 GPRESSURE: 1777800 -81.7626 44.4507 -1.79576 -82.8241 104.025 52.5922 -15.5086 63.5709 77.3593 PRESSAVG: 1777800 11.911 13.5845 1.23396 13.5846 -7.72988 48.8938 1.23406 48.8937 -17.9256 GPRESSAVG: 1777800 11.6681 14.2594 2.5538 14.1749 -8.62132 48.6265 2.40512 48.2265 -16.9345 TIMING: 1777800 CPU: 5154.4, 0.00289325/step Wall: 5154.4, 0.00289325/step, 2.58962 hours remaining, 207.917969 MB of memory in use. ENERGY: 1777800 741.0975 2142.0034 1964.0181 107.7085 -206136.3503 17759.7620 0.0000 0.0000 34114.8366 -149306.9241 297.9334 -183421.7607 -149213.2741 299.0649 0.9091 33.2072 555675.4587 -4.5815 -4.6292 PRESSURE: 1778000 12.8316 30.7065 20.8827 30.707 166.5 13.2405 20.8824 13.2391 42.1874 GPRESSURE: 1778000 42.5283 -7.05596 -29.2025 140.866 164.967 -45.5633 56.1469 5.81006 107.181 PRESSAVG: 1778000 8.35872 -61.5055 3.13772 -61.5055 22.4954 15.9979 3.13776 15.9979 -29.5205 GPRESSAVG: 1778000 8.41252 -60.1402 2.38 -62.0707 22.7587 16.1554 2.76084 17.4107 -30.4036 TIMING: 1778000 CPU: 5154.98, 0.002901/step Wall: 5154.98, 0.002901/step, 2.59639 hours remaining, 207.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1778000 725.5056 2100.9239 1952.1239 117.6392 -206451.7700 17831.9735 0.0000 0.0000 34270.1464 -149453.4575 299.2897 -183723.6039 -149350.4753 298.8993 73.8396 104.8921 555751.9356 0.4445 0.2559 PRESSURE: 1778200 254.105 141.654 -272.311 141.653 246.439 6.96177 -272.312 6.96303 -139.639 GPRESSURE: 1778200 273.376 156.026 -277.708 117.834 296.482 90.3822 -255.764 -22.8425 -120.24 PRESSAVG: 1778200 -59.6078 -11.8252 -33.1518 -11.8251 -2.47476 18.6322 -33.1517 18.6322 33.9317 GPRESSAVG: 1778200 -59.0576 -13.1338 -31.4883 -10.7535 -2.60064 17.7377 -34.0918 16.8994 34.293 TIMING: 1778200 CPU: 5155.57, 0.00290625/step Wall: 5155.57, 0.00290625/step, 2.60093 hours remaining, 207.917969 MB of memory in use. ENERGY: 1778200 746.9031 2095.2617 1949.7581 111.9385 -206565.1225 18127.8091 0.0000 0.0000 34091.5972 -149441.8549 297.7304 -183533.4521 -149337.3342 298.5606 120.3015 149.8727 557220.4457 -9.3836 -9.1217 PRESSURE: 1778400 -529.889 43.4063 92.1361 43.4067 -371.7 -28.5849 92.1359 -28.5856 -405.264 GPRESSURE: 1778400 -527.548 8.94474 148.179 73.7019 -325.395 12.3848 78.1957 -26.6591 -358.344 PRESSAVG: 1778400 -42.887 13.1101 5.04183 13.1102 8.01146 64.7219 5.04187 64.722 39.3258 GPRESSAVG: 1778400 -44.0363 11.9179 4.00397 13.9322 9.34736 64.7111 6.22491 66.1331 39.3391 TIMING: 1778400 CPU: 5156.14, 0.00287629/step Wall: 5156.14, 0.00287629/step, 2.57396 hours remaining, 207.917969 MB of memory in use. ENERGY: 1778400 754.7214 2085.7565 1939.2884 116.3135 -205769.3558 17301.4017 0.0000 0.0000 34100.0039 -149471.8705 297.8038 -183571.8743 -149367.9726 299.0733 -435.6176 -403.7622 558974.3778 1.4834 1.5501 PRESSURE: 1778600 152.606 18.6277 -22.1285 18.6283 -19.9148 127.277 -22.1299 127.278 371.983 GPRESSURE: 1778600 198.054 22.6433 -44.0171 -4.87843 14.3392 67.9945 -76.7046 72.8546 402.358 PRESSAVG: 1778600 -4.04988 35.2669 -28.3896 35.2669 66.8928 -5.87826 -28.3897 -5.87832 -54.2157 GPRESSAVG: 1778600 -2.31331 34.7117 -26.8671 33.5399 65.9036 -2.87678 -29.3189 -8.21695 -54.4549 TIMING: 1778600 CPU: 5156.71, 0.00286266/step Wall: 5156.71, 0.00286266/step, 2.5616 hours remaining, 207.917969 MB of memory in use. ENERGY: 1778600 713.1932 2080.9476 1967.0656 120.1974 -206593.6902 18010.6966 0.0000 0.0000 34246.1864 -149455.4035 299.0805 -183701.5899 -149363.7952 298.2643 168.2247 204.9168 556284.6787 2.8757 3.0451 PRESSURE: 1778800 -168.078 -11.6216 -117.091 -11.6225 183.25 -87.8457 -117.092 -87.8446 -202.179 GPRESSURE: 1778800 -112.033 -13.6731 -138.463 -54.2024 201.267 -76.9227 -109.956 -9.18359 -178.635 PRESSAVG: 1778800 -26.2816 -19.876 16.6434 -19.8759 35.1054 -22.8267 16.6434 -22.8268 -8.45476 GPRESSAVG: 1778800 -26.2632 -19.7176 15.9506 -18.849 34.6587 -22.6323 18.2696 -23.2074 -8.05641 TIMING: 1778800 CPU: 5157.29, 0.00289948/step Wall: 5157.29, 0.00289948/step, 2.59439 hours remaining, 207.917969 MB of memory in use. ENERGY: 1778800 788.2630 2058.8735 1973.6675 134.5076 -206589.5264 17918.6973 0.0000 0.0000 34106.5033 -149609.0141 297.8606 -183715.5175 -149513.8695 298.4799 -62.3357 -29.8003 556963.9767 0.1230 0.1130 PRESSURE: 1779000 -131.205 13.0634 63.243 13.0643 -124.79 -63.188 63.2424 -63.1878 178.618 GPRESSURE: 1779000 -69.7179 -25.2592 56.4635 -101.684 -105.856 6.08032 147.32 -10.8497 209.285 PRESSAVG: 1779000 -60.635 -32.8779 44.4488 -32.8778 67.9731 49.8912 44.4488 49.8911 -50.597 GPRESSAVG: 1779000 -61.5929 -32.9134 45.722 -32.5546 69.2446 48.1526 44.6547 51.7883 -50.6712 TIMING: 1779000 CPU: 5157.87, 0.00288186/step Wall: 5157.87, 0.00288186/step, 2.57846 hours remaining, 207.917969 MB of memory in use. ENERGY: 1779000 737.0542 2102.8100 1965.2871 111.6955 -206337.4671 17836.9200 0.0000 0.0000 33996.1914 -149587.5089 296.8972 -183583.7003 -149491.3790 298.4947 -25.7922 11.2370 556383.2352 -14.4196 -14.3398 PRESSURE: 1779200 133.601 -30.5595 27.1714 -30.5607 -108.589 -211.405 27.1723 -211.405 -77.5787 GPRESSURE: 1779200 114.109 -38.0903 -51.9597 -30.4268 -67.7792 -171.624 55.8105 -272.271 -6.4149 PRESSAVG: 1779200 31.6324 -5.88859 -37.2927 -5.88857 -9.21539 13.6597 -37.2927 13.6597 -4.91273 GPRESSAVG: 1779200 31.3666 -4.76817 -37.8588 -6.62268 -9.89602 11.8094 -37.881 14.994 -4.17891 TIMING: 1779200 CPU: 5158.45, 0.00289625/step Wall: 5158.45, 0.00289625/step, 2.59118 hours remaining, 207.917969 MB of memory in use. ENERGY: 1779200 744.7836 2014.2994 1931.5732 104.9228 -206642.7087 17989.9448 0.0000 0.0000 34027.4650 -149829.7198 297.1703 -183857.1848 -149734.5817 297.9519 -17.5223 13.3049 557008.2693 5.8347 5.7639 PRESSURE: 1779400 -31.7209 -72.6228 109.636 -72.6226 160.702 -145.16 109.637 -145.159 -257.35 GPRESSURE: 1779400 56.4964 -108.216 90.1914 -49.3544 185.094 -106.307 90.7667 -86.222 -284.043 PRESSAVG: 1779400 -17.7706 1.93035 -18.7643 1.93035 23.3484 25.6736 -18.7643 25.6737 18.7611 GPRESSAVG: 1779400 -17.5279 0.484968 -17.118 3.66647 23.5147 27.6968 -19.7676 24.7909 18.4207 TIMING: 1779400 CPU: 5159.02, 0.00286971/step Wall: 5159.02, 0.00286971/step, 2.56728 hours remaining, 207.917969 MB of memory in use. ENERGY: 1779400 705.5481 2036.2087 1984.8980 106.0523 -206495.4915 17773.5216 0.0000 0.0000 34183.1802 -149706.0826 298.5302 -183889.2628 -149608.1099 297.5443 -42.7896 -14.1509 557482.2210 8.1130 8.1358 PRESSURE: 1779600 -256.414 52.1057 -59.749 52.1049 -132.052 -69.9278 -59.7502 -69.927 232.554 GPRESSURE: 1779600 -194.387 -17.9065 -62.4156 124.388 -95.5075 -89.5307 -103.341 -104.577 218.564 PRESSAVG: 1779600 -13.8622 -18.9636 -20.5924 -18.9636 -43.1119 10.1414 -20.5923 10.1415 20.9793 GPRESSAVG: 1779600 -12.3633 -17.2618 -21.0904 -19.6103 -44.85 9.00026 -22.1372 10.9315 20.7834 TIMING: 1779600 CPU: 5159.6, 0.00288302/step Wall: 5159.6, 0.00288302/step, 2.57903 hours remaining, 207.917969 MB of memory in use. ENERGY: 1779600 719.1170 2075.9928 1952.6399 117.0344 -206613.2076 17698.4016 0.0000 0.0000 34283.1315 -149766.8904 299.4031 -184050.0218 -149669.7593 298.0059 -51.9706 -23.7769 556645.1889 -11.9983 -12.1433 PRESSURE: 1779800 18.1878 -116.427 -30.6771 -116.427 141.047 -81.9485 -30.6767 -81.9469 183.571 GPRESSURE: 1779800 59.1064 -125.065 -1.84676 -7.3452 157.454 -114.967 -67.8276 -0.972976 225.492 PRESSAVG: 1779800 -21.0861 -2.50208 -29.1236 -2.50213 -55.9371 -4.61441 -29.1236 -4.6144 40.1173 GPRESSAVG: 1779800 -22.0186 -1.55812 -32.0071 -3.1217 -54.7599 -5.17612 -26.3744 -4.35108 40.4577 TIMING: 1779800 CPU: 5160.18, 0.00290076/step Wall: 5160.18, 0.00290076/step, 2.59473 hours remaining, 207.917969 MB of memory in use. ENERGY: 1779800 730.9262 2120.1965 1932.5922 123.2655 -206843.6243 17952.1480 0.0000 0.0000 34049.5392 -149934.9568 297.3631 -183984.4960 -149842.4456 297.3415 114.2688 147.3510 554819.5229 -12.3020 -12.1069 PRESSURE: 1780000 -195.702 -187.694 8.45901 -187.695 -73.6406 100.85 8.4585 100.851 -116.559 GPRESSURE: 1780000 -137.404 -153.478 59.1123 -201.953 -42.326 84.1789 17.5892 100.685 -113.213 PRESSAVG: 1780000 -14.2516 14.4489 -35.6518 14.4489 -44.018 -36.4207 -35.6517 -36.4206 3.58219 GPRESSAVG: 1780000 -13.5134 14.5635 -35.4621 13.1634 -44.1102 -36.7454 -35.1906 -35.1755 2.51085 TIMING: 1780000 CPU: 5160.76, 0.00288062/step Wall: 5160.76, 0.00288062/step, 2.57655 hours remaining, 207.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1780000 745.6363 2026.2576 1947.7855 121.0973 -206440.9403 17537.1612 0.0000 0.0000 34177.7039 -149885.2985 298.4824 -184063.0024 -149793.1665 297.4841 -128.6339 -97.6479 555175.6715 -18.2291 -18.3709 PRESSURE: 1780200 -88.0271 -31.3639 -58.619 -31.364 -131.602 -88.7617 -58.6191 -88.7611 -260.578 GPRESSURE: 1780200 -69.442 3.59898 -37.7134 -132.515 -93.7865 -72.1265 -97.0204 -73.0451 -220.735 PRESSAVG: 1780200 24.4322 -2.49009 39.1386 -2.49001 -19.361 38.4135 39.1386 38.4134 23.9817 GPRESSAVG: 1780200 24.1065 -2.38401 40.5623 -2.61591 -18.6199 40.6136 37.8577 34.9103 23.6798 TIMING: 1780200 CPU: 5161.34, 0.00289556/step Wall: 5161.34, 0.00289556/step, 2.58976 hours remaining, 207.917969 MB of memory in use. ENERGY: 1780200 748.5711 2132.0906 1988.0504 121.1690 -206343.3645 17509.2254 0.0000 0.0000 34219.3628 -149624.8952 298.8462 -183844.2580 -149529.8451 297.5733 -160.0690 -127.9879 554888.7322 9.6843 9.7221 LDB: ============= START OF LOAD BALANCING ============== 5164.72 LDB: ============== END OF LOAD BALANCING =============== 5164.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5164.72 LDB: ============= START OF LOAD BALANCING ============== 5165.02 LDB: Largest compute 4820 load 0.024068 is 20.4% of average load 0.117907 LDB: Average compute 0.001717 is 1.5% of average load 0.117907 LDB: TIME 5165.02 LOAD: AVG 0.117907 MAX 0.179798 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.094 MB LDB: TIME 5165.02 LOAD: AVG 0.117907 MAX 0.179798 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.34 MB LDB: TIME 5165.02 LOAD: AVG 0.117907 MAX 0.179798 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.34 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5165.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5165.03 PRESSURE: 1780400 3.1146 28.651 -14.9103 28.6502 -258.936 -76.0613 -14.9102 -76.063 -349.055 GPRESSURE: 1780400 15.197 29.4681 -0.0066063 33.7634 -230.198 43.9109 -30.2418 3.67712 -294.241 PRESSAVG: 1780400 52.006 6.67371 1.11132 6.67376 28.3914 47.5497 1.11127 47.5497 -121.265 GPRESSAVG: 1780400 51.8082 6.84959 1.22079 7.08479 28.0206 46.3659 1.99484 49.1361 -120.654 TIMING: 1780400 CPU: 5161.93, 0.00297214/step Wall: 5161.93, 0.00297214/step, 2.65808 hours remaining, 207.207031 MB of memory in use. ENERGY: 1780400 783.0567 2034.8394 1977.3457 106.4663 -206137.9003 17535.7413 0.0000 0.0000 33891.3802 -149809.0707 295.9819 -183700.4509 -149710.5665 297.6151 -201.6253 -169.7474 555268.7781 -13.6226 -13.6084 PRESSURE: 1780600 96.4975 -88.3527 84.8979 -88.3534 -184.253 132.392 84.8998 132.393 -324.23 GPRESSURE: 1780600 80.492 -26.1859 32.262 -95.8689 -111.418 127.501 37.1918 142.114 -287.44 PRESSAVG: 1780600 33.2326 -23.7735 -66.3172 -23.7735 -3.64878 51.9674 -66.3171 51.9675 -11.4388 GPRESSAVG: 1780600 32.18 -25.152 -67.091 -21.8482 -3.47774 50.2363 -67.8374 52.4592 -10.5357 TIMING: 1780600 CPU: 5162.51, 0.00291084/step Wall: 5162.51, 0.00291084/step, 2.6031 hours remaining, 207.207031 MB of memory in use. ENERGY: 1780600 747.7616 2140.4803 1969.4482 111.0834 -206412.3702 17600.3930 0.0000 0.0000 34117.6425 -149725.5611 297.9579 -183843.2036 -149635.7929 297.7759 -137.3284 -106.1220 555958.0012 6.0483 6.0555 PRESSURE: 1780800 -130.499 -42.5579 -16.1573 -42.5577 -253.095 107.359 -16.158 107.359 17.1516 GPRESSURE: 1780800 -89.4584 21.1052 45.4337 -77.2895 -195.263 111.691 -53.1482 134.229 24.7343 PRESSAVG: 1780800 3.08014 27.7858 10.5247 27.7856 -10.5189 34.0216 10.5248 34.0216 2.49586 GPRESSAVG: 1780800 4.13188 27.4108 9.83926 27.2509 -10.1575 38.5421 12 30.961 0.98881 TIMING: 1780800 CPU: 5163.09, 0.00289445/step Wall: 5163.09, 0.00289446/step, 2.58829 hours remaining, 207.207031 MB of memory in use. ENERGY: 1780800 737.9583 2126.2916 1973.0289 105.8302 -206336.0229 17760.9511 0.0000 0.0000 34267.6098 -149364.3531 299.2676 -183631.9628 -149270.2177 298.8428 -122.1473 -86.6625 558526.1071 -1.6476 -1.6789 PRESSURE: 1781000 -26.4961 -44.6956 -128.604 -44.6958 88.522 -171.6 -128.605 -171.603 175.2 GPRESSURE: 1781000 10.8157 -131.276 -119.896 -57.3114 21.6942 -96.7275 -83.546 -184.53 310.73 PRESSAVG: 1781000 23.7362 -7.59503 -22.7782 -7.5952 -67.4874 26.6745 -22.7783 26.6745 41.6954 GPRESSAVG: 1781000 22.6445 -7.17025 -21.1184 -9.4076 -67.8065 23.1087 -23.0439 28.0066 42.9985 TIMING: 1781000 CPU: 5163.67, 0.00289339/step Wall: 5163.67, 0.00289339/step, 2.58717 hours remaining, 207.207031 MB of memory in use. ENERGY: 1781000 757.5434 2144.6460 1976.8888 121.4527 -206612.5467 18015.4403 0.0000 0.0000 34360.5966 -149235.9789 300.0796 -183596.5755 -149142.9529 299.3012 79.0753 114.4133 557112.3643 -0.6853 -0.7212 PRESSURE: 1781200 112.674 -163.421 -146.752 -163.421 151.034 -218.006 -146.752 -218.007 109.581 GPRESSURE: 1781200 181.841 -145.598 -149.401 -179.213 170.085 -149.468 -82.6247 -290.489 113.214 PRESSAVG: 1781200 29.6691 -47.0989 -26.361 -47.0988 -44.4224 -46.0832 -26.3609 -46.0835 12.8126 GPRESSAVG: 1781200 29.2132 -44.1295 -25.7025 -48.1898 -44.7427 -45.825 -26.4187 -45.1588 12.7916 TIMING: 1781200 CPU: 5164.25, 0.00288027/step Wall: 5164.25, 0.00288027/step, 2.57528 hours remaining, 207.207031 MB of memory in use. ENERGY: 1781200 737.6404 2156.8292 1964.2636 123.3974 -206547.3143 17937.8782 0.0000 0.0000 34226.6105 -149400.6950 298.9095 -183627.3055 -149299.0737 299.3841 124.4297 155.0468 556438.2830 -0.6469 -0.9127 PRESSURE: 1781400 -22.6842 -80.8393 34.1547 -80.8391 -6.30483 60.5532 34.1536 60.553 -203.407 GPRESSURE: 1781400 -5.80429 -51.1197 -19.2904 -212.419 28.3756 68.2259 79.8219 94.9707 -161.838 PRESSAVG: 1781400 25.0751 -32.1161 -24.236 -32.116 14.6101 47.5094 -24.2361 47.5095 5.65969 GPRESSAVG: 1781400 24.3062 -34.2316 -24.5469 -29.8116 14.8602 47.8629 -24.6069 46.4432 5.61103 TIMING: 1781400 CPU: 5164.82, 0.00288973/step Wall: 5164.82, 0.00288973/step, 2.58358 hours remaining, 207.449219 MB of memory in use. ENERGY: 1781400 715.6788 2138.9283 1963.3116 114.0329 -206302.8940 17770.5362 0.0000 0.0000 33994.4874 -149605.9187 296.8823 -183600.4061 -149504.7438 298.6516 -77.4652 -46.4221 557941.4123 15.1150 14.9258 PRESSURE: 1781600 98.8118 -65.6384 67.5233 -65.6392 14.0041 -139.671 67.5243 -139.67 180.067 GPRESSURE: 1781600 108.082 -77.2378 33.1131 -33.8392 67.0505 -122.588 -5.99977 -92.1103 215.212 PRESSAVG: 1781600 15.2884 -14.2494 26.656 -14.2493 -1.79605 10.93 26.656 10.93 -48.0873 GPRESSAVG: 1781600 15.6746 -15.6806 26.798 -13.5686 -2.20074 10.1671 25.6071 12.0193 -48.6857 TIMING: 1781600 CPU: 5165.4, 0.00290598/step Wall: 5165.4, 0.00290598/step, 2.59795 hours remaining, 207.449219 MB of memory in use. ENERGY: 1781600 743.4682 2132.3434 1937.3054 110.3440 -206892.8694 18107.4957 0.0000 0.0000 34202.2556 -149659.6570 298.6968 -183861.9126 -149565.3902 298.0509 97.6276 130.1150 557930.1051 -11.5316 -11.7373 PRESSURE: 1781800 63.28 46.0878 -112.639 46.0872 267.893 31.6106 -112.64 31.6116 85.8323 GPRESSURE: 1781800 136.755 98.75 -101.856 11.2931 303.532 149.334 -205.093 -24.7436 88.1777 PRESSAVG: 1781800 -2.25454 32.7467 29.6748 32.7468 14.0483 -10.0805 29.6748 -10.0805 18.7609 GPRESSAVG: 1781800 -2.89505 35.3882 28.4435 30.9302 14.6538 -10.1499 30.7004 -9.38901 19.3279 TIMING: 1781800 CPU: 5165.98, 0.00289138/step Wall: 5165.98, 0.00289138/step, 2.58473 hours remaining, 207.449219 MB of memory in use. ENERGY: 1781800 746.9202 2061.0335 1996.5296 104.9514 -206827.0702 18228.5454 0.0000 0.0000 33999.5196 -149689.5705 296.9263 -183689.0901 -149593.9358 298.1692 139.0018 176.1547 557833.2362 10.1849 10.3622 PRESSURE: 1782000 91.4513 139.531 100.355 139.531 148.308 -53.9139 100.354 -53.9132 -176.708 GPRESSURE: 1782000 76.3164 181.602 126.613 81.5899 155.602 -68.3433 65.6802 -12.7141 -78.6897 PRESSAVG: 1782000 47.6291 61.0791 8.38041 61.0792 -95.9792 21.1739 8.38049 21.1738 -6.60601 GPRESSAVG: 1782000 48.4911 59.9059 10.9277 59.4254 -97.337 22.8797 8.072 19.634 -6.55878 TIMING: 1782000 CPU: 5166.56, 0.00288968/step Wall: 5166.56, 0.00288968/step, 2.58305 hours remaining, 207.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1782000 796.5690 2056.7825 1960.5016 117.3262 -207070.4728 18232.2440 0.0000 0.0000 34128.3721 -149778.6774 298.0516 -183907.0496 -149686.7050 297.6831 21.0169 51.0763 557761.1871 -18.3187 -18.4682 PRESSURE: 1782200 407.445 -129.702 -53.9939 -129.703 157.51 76.6333 -53.9939 76.6302 116.292 GPRESSURE: 1782200 438.82 -136.541 -141.939 -51.7023 161.573 131.494 -9.04316 23.3868 168.412 PRESSAVG: 1782200 -11.3686 17.7338 65.8325 17.7337 -48.619 76.5728 65.8326 76.5728 61.5735 GPRESSAVG: 1782200 -11.1639 18.2068 64.3158 17.7841 -49.0518 74.204 66.4146 76.1957 62.1134 TIMING: 1782200 CPU: 5167.14, 0.00289032/step Wall: 5167.14, 0.00289032/step, 2.58347 hours remaining, 207.449219 MB of memory in use. ENERGY: 1782200 810.0040 2029.7937 1981.6179 114.3029 -207046.7128 18294.9382 0.0000 0.0000 34264.2902 -149551.7659 299.2386 -183816.0561 -149457.9732 298.3688 227.0825 256.2684 556809.4737 0.5287 0.6326 PRESSURE: 1782400 -201.722 -134.924 98.5296 -134.924 -198.444 -2.39999 98.5299 -2.39973 -91.0949 GPRESSURE: 1782400 -180.318 -214.017 111.213 -105.491 -198.419 133.357 41.4202 -5.91195 -11.2542 PRESSAVG: 1782400 -37.9059 5.77902 21.4458 5.779 20.6853 30.3176 21.4458 30.3177 -10.7281 GPRESSAVG: 1782400 -38.1614 4.55891 23.3595 6.39286 20.7883 32.3488 20.9941 31.2716 -9.89697 TIMING: 1782400 CPU: 5167.72, 0.00290811/step Wall: 5167.72, 0.00290811/step, 2.5992 hours remaining, 207.449219 MB of memory in use. ENERGY: 1782400 781.1430 2018.1013 1983.3444 105.1891 -206219.3555 17712.7608 0.0000 0.0000 34210.8241 -149407.9928 298.7716 -183618.8169 -149309.2202 298.3815 -163.7535 -129.9972 557155.4100 -9.3163 -9.0900 PRESSURE: 1782600 422.524 -201.314 -178.481 -201.315 -128.336 114.474 -178.481 114.475 209.477 GPRESSURE: 1782600 457.479 -202.366 -161.532 -174.151 -84.3358 124.845 -118.515 158.859 221.711 PRESSAVG: 1782600 28.6339 -24.6547 -76.4292 -24.6546 -44.5478 70.7437 -76.4292 70.7437 36.9946 GPRESSAVG: 1782600 27.8403 -24.8756 -79.8617 -23.7762 -43.3008 70.3988 -74.5217 70.1768 36.4917 TIMING: 1782600 CPU: 5168.31, 0.00293915/step Wall: 5168.31, 0.00293915/step, 2.62678 hours remaining, 207.449219 MB of memory in use. ENERGY: 1782600 720.0813 2047.0886 1925.3011 120.1215 -206775.9204 18137.9375 0.0000 0.0000 34170.3117 -149655.0787 298.4178 -183825.3903 -149559.8779 298.6236 167.8884 198.2848 556048.1479 7.0269 7.0104 PRESSURE: 1782800 -487.931 110.799 -23.0002 110.8 119.769 -28.7523 -23.0021 -28.7523 -146.512 GPRESSURE: 1782800 -428.73 99.349 33.9113 80.3472 115.261 -45.6143 -118.63 10.03 -94.1787 PRESSAVG: 1782800 -29.7537 29.8041 -5.82685 29.8041 41.4584 62.9987 -5.82688 62.9987 -12.4538 GPRESSAVG: 1782800 -29.0059 28.4648 -2.34638 30.6064 41.3798 61.2204 -8.69515 63.056 -13.5091 TIMING: 1782800 CPU: 5168.89, 0.00290403/step Wall: 5168.89, 0.00290403/step, 2.59524 hours remaining, 207.449219 MB of memory in use. ENERGY: 1782800 787.2990 2090.4703 1947.2331 105.2887 -206106.9114 17710.6266 0.0000 0.0000 33921.4556 -149544.5380 296.2445 -183465.9936 -149448.3945 297.9620 -171.5581 -135.8825 559983.6980 -0.2497 -0.3784 PRESSURE: 1783000 131.353 -69.2602 -44.6507 -69.2602 -10.9562 48.5132 -44.6513 48.5131 270.455 GPRESSURE: 1783000 128.615 -130.106 -17.0897 -69.9637 20.1405 58.2728 -135.994 98.3766 344.449 PRESSAVG: 1783000 -1.37377 9.56391 37.3276 9.56391 15.8791 -3.90035 37.3276 -3.90036 22.6757 GPRESSAVG: 1783000 -3.12417 10.6553 36.2923 9.31236 15.9988 -0.592948 38.184 -5.3913 24.2879 TIMING: 1783000 CPU: 5169.47, 0.0029117/step Wall: 5169.47, 0.0029117/step, 2.60193 hours remaining, 207.449219 MB of memory in use. ENERGY: 1783000 732.7185 2010.4505 1974.9139 117.0506 -206828.8243 18193.9985 0.0000 0.0000 34234.7589 -149564.9334 298.9807 -183799.6924 -149471.4121 298.1016 130.2841 164.4015 556143.1379 12.3937 12.3875 PRESSURE: 1783200 3.84114 69.4653 -105.741 69.4653 -290.212 -28.0551 -105.742 -28.0541 22.411 GPRESSURE: 1783200 29.3752 41.8228 -104.188 65.0314 -272.447 -101.329 -127.476 -0.720584 70.795 PRESSAVG: 1783200 -21.7419 -3.2872 23.2687 -3.28718 -10.1056 29.5413 23.2687 29.5413 5.98027 GPRESSAVG: 1783200 -19.9366 -6.12445 20.3952 -2.55599 -10.5576 25.0504 25.0935 31.3391 4.96967 TIMING: 1783200 CPU: 5170.05, 0.00289473/step Wall: 5170.05, 0.00289473/step, 2.5866 hours remaining, 207.449219 MB of memory in use. ENERGY: 1783200 733.9660 1996.8474 1977.1239 116.9421 -206433.2188 17759.6474 0.0000 0.0000 34084.0289 -149764.6631 297.6643 -183848.6919 -149663.7402 297.4401 -87.9867 -57.4256 557186.9966 -8.6224 -8.5082 PRESSURE: 1783400 -225.021 54.3842 40.3615 54.3838 -168.97 76.7779 40.3614 76.7789 -137.756 GPRESSURE: 1783400 -203.22 71.7999 56.1116 108.43 -141.857 89.1109 60.5099 38.3479 -88.3321 PRESSAVG: 1783400 23.9068 27.5514 -1.27738 27.5514 4.54726 -30.5156 -1.27732 -30.5156 10.2934 GPRESSAVG: 1783400 23.4645 28.5232 0.173124 28.8546 4.14379 -28.418 -3.08132 -29.5284 11.4937 TIMING: 1783400 CPU: 5170.63, 0.00287912/step Wall: 5170.63, 0.00287912/step, 2.57249 hours remaining, 207.449219 MB of memory in use. ENERGY: 1783400 767.9505 2054.4256 1980.7115 97.3505 -206264.2362 17526.7673 0.0000 0.0000 34155.2590 -149681.7718 298.2864 -183837.0309 -149588.9844 296.9671 -177.2491 -144.4695 556336.2915 12.9158 13.0340 PRESSURE: 1783600 -56.2146 36.3612 46.5239 36.3606 -175.169 -69.7351 46.5249 -69.7359 -149.014 GPRESSURE: 1783600 -21.2275 108.948 30.7063 14.7829 -128.911 -165.385 29.6649 -82.8812 -131.672 PRESSAVG: 1783600 21.6084 14.7184 0.901546 14.7183 18.1763 7.30004 0.901489 7.30002 -3.93236 GPRESSAVG: 1783600 21.2616 15.8541 0.12942 12.314 18.9529 9.13971 0.580477 3.18202 -4.03486 TIMING: 1783600 CPU: 5171.2, 0.00288253/step Wall: 5171.2, 0.00288253/step, 2.57538 hours remaining, 207.449219 MB of memory in use. ENERGY: 1783600 702.4284 2063.7532 1941.9976 101.9500 -206302.1563 17706.4782 0.0000 0.0000 34161.8381 -149623.7109 298.3438 -183785.5490 -149532.7560 298.0925 -126.7990 -93.9369 557649.0248 11.9508 12.0599 PRESSURE: 1783800 -138.959 15.3543 78.6936 15.3558 -142.967 59.2083 78.6927 59.2087 1.20372 GPRESSURE: 1783800 -53.3846 35.8409 151.694 -54.6513 -145.673 46.1883 77.6394 57.4226 13.0248 PRESSAVG: 1783800 -25.4179 26.4342 0.305787 26.4343 -11.9819 -15.6869 0.30572 -15.687 1.25855 GPRESSAVG: 1783800 -23.8461 27.4859 2.104 27.8127 -12.7898 -16.5348 0.452266 -13.1507 -0.0065685 TIMING: 1783800 CPU: 5171.77, 0.00285946/step Wall: 5171.77, 0.00285946/step, 2.55461 hours remaining, 207.449219 MB of memory in use. ENERGY: 1783800 737.5103 2050.9472 1974.0368 108.3969 -206088.1287 17709.5078 0.0000 0.0000 34003.6486 -149504.0811 296.9623 -183507.7297 -149405.3783 298.2824 -93.5741 -62.0110 556868.6429 -12.0471 -12.2141 PRESSURE: 1784000 -104.389 -215.535 -47.9152 -215.534 -10.7068 51.5574 -47.914 51.5582 -145.04 GPRESSURE: 1784000 -80.6025 -200.393 -90.7066 -230.707 24.4281 79.9349 -64.2746 54.8206 -108.472 PRESSAVG: 1784000 -13.0697 39.8452 -37.9136 39.8452 28.8793 -3.75401 -37.9135 -3.75398 11.4304 GPRESSAVG: 1784000 -14.2043 38.7305 -38.9204 40.02 29.8143 -3.47891 -36.8436 -6.3805 12.3238 TIMING: 1784000 CPU: 5172.35, 0.00288844/step Wall: 5172.35, 0.00288844/step, 2.58034 hours remaining, 207.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1784000 721.6157 1974.1839 1958.4933 108.5795 -205925.4953 17699.7285 0.0000 0.0000 33978.0680 -149484.8264 296.7389 -183462.8944 -149389.2819 297.9272 -86.7117 -54.8821 557298.3984 9.0800 9.3113 PRESSURE: 1784200 169.485 -97.3771 57.9665 -97.3768 346.462 -87.2787 57.9678 -87.2793 237.268 GPRESSURE: 1784200 178.386 -122.804 50.1379 -133.089 372.723 -134.269 5.1418 -36.9936 297.502 PRESSAVG: 1784200 71.9148 17.8656 -40.4942 17.8655 19.5968 3.19876 -40.4942 3.19871 -68.9718 GPRESSAVG: 1784200 72.5015 17.6662 -39.889 16.2741 19.8399 3.49824 -40.4396 5.44991 -69.6391 TIMING: 1784200 CPU: 5172.93, 0.00290799/step Wall: 5172.93, 0.00290799/step, 2.59764 hours remaining, 207.449219 MB of memory in use. ENERGY: 1784200 685.1823 2078.9242 1974.9649 106.5855 -206357.3790 17993.7924 0.0000 0.0000 34003.7257 -149514.2039 296.9630 -183517.9296 -149422.5947 297.8803 251.0716 282.8703 556510.3298 7.5133 7.5674 LDB: ============= START OF LOAD BALANCING ============== 5176.32 LDB: ============== END OF LOAD BALANCING =============== 5176.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5176.32 LDB: ============= START OF LOAD BALANCING ============== 5176.61 LDB: Largest compute 4820 load 0.025721 is 21.8% of average load 0.117994 LDB: Average compute 0.001712 is 1.5% of average load 0.117994 LDB: TIME 5176.61 LOAD: AVG 0.117994 MAX 0.178808 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.73 MB LDB: TIME 5176.61 LOAD: AVG 0.117994 MAX 0.178808 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.93 MB LDB: TIME 5176.61 LOAD: AVG 0.117994 MAX 0.178808 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5176.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5176.62 PRESSURE: 1784400 82.7979 -39.5313 -35.9821 -39.5299 121.707 -18.8309 -35.9815 -18.8289 112.061 GPRESSURE: 1784400 137.585 -59.9547 -120.765 -39.1938 194.384 -71.6374 -15.8614 -54.3375 66.1999 PRESSAVG: 1784400 62.6066 -35.5259 -10.5756 -35.5259 -11.1041 -34.4036 -10.5756 -34.4035 -84.8799 GPRESSAVG: 1784400 63.6695 -34.1634 -10.7838 -36.9155 -12.2712 -36.4478 -11.671 -35.1819 -84.4365 TIMING: 1784400 CPU: 5173.52, 0.00293591/step Wall: 5173.52, 0.00293591/step, 2.62242 hours remaining, 207.957031 MB of memory in use. ENERGY: 1784400 722.7069 2011.5542 1969.1622 106.2443 -206222.6605 17931.0017 0.0000 0.0000 34052.3581 -149429.6333 297.3877 -183481.9913 -149333.9969 298.4928 105.5218 132.7229 557369.4789 -11.1258 -11.0128 PRESSURE: 1784600 -28.0414 92.1951 142.477 92.1958 -167.364 -26.0572 142.478 -26.0568 -122.679 GPRESSURE: 1784600 19.8293 178.471 100.06 87.7767 -158.513 -105.323 131.293 -17.1036 -78.9858 PRESSAVG: 1784600 -25.4609 -47.106 9.45785 -47.106 77.4106 -41.5774 9.45781 -41.5773 -56.436 GPRESSAVG: 1784600 -25.6554 -47.1175 10.4939 -47.6851 77.661 -41.6586 8.15538 -38.6071 -56.3801 TIMING: 1784600 CPU: 5174.1, 0.00288157/step Wall: 5174.1, 0.00288157/step, 2.57373 hours remaining, 207.957031 MB of memory in use. ENERGY: 1784600 763.2434 2034.5757 1970.9844 106.4031 -206138.1876 17734.5999 0.0000 0.0000 34142.9323 -149385.4490 298.1787 -183528.3812 -149286.4325 298.1760 -106.0283 -72.5566 558370.9412 -1.4954 -1.4582 PRESSURE: 1784800 -21.4131 -20.1908 61.8651 -20.19 -328.147 150.077 61.8656 150.075 -62.419 GPRESSURE: 1784800 -4.36155 49.7112 122.28 2.75623 -284.293 215.666 -18.4886 73.3102 -16.3218 PRESSAVG: 1784800 -51.9537 -22.5008 4.08163 -22.5008 47.4467 78.9556 4.08168 78.9555 2.14835 GPRESSAVG: 1784800 -51.2045 -25.7149 3.15961 -18.3674 48.2142 81.7364 5.23678 76.5242 1.38921 TIMING: 1784800 CPU: 5174.67, 0.00287684/step Wall: 5174.67, 0.00287684/step, 2.56934 hours remaining, 207.957031 MB of memory in use. ENERGY: 1784800 757.2509 2061.7238 1967.0949 118.6263 -206262.4368 17743.5504 0.0000 0.0000 34247.9946 -149366.1959 299.0963 -183614.1904 -149267.4140 298.8195 -137.3264 -101.6588 558588.2800 -0.7862 -0.5337 PRESSURE: 1785000 -285.778 -82.4124 13.3227 -82.4115 115.323 -163.379 13.322 -163.38 -27.9178 GPRESSURE: 1785000 -270.529 -164.784 -0.206152 29.7489 102.039 -145.312 -11.8985 -97.7601 57.1258 PRESSAVG: 1785000 -21.4688 -23.9009 -28.8734 -23.901 13.4714 2.98512 -28.8735 2.98531 8.68912 GPRESSAVG: 1785000 -22.4577 -23.2112 -29.1408 -24.9708 12.7942 1.39236 -28.5848 3.73746 10.1775 TIMING: 1785000 CPU: 5175.24, 0.00285995/step Wall: 5175.24, 0.00285995/step, 2.55409 hours remaining, 207.957031 MB of memory in use. ENERGY: 1785000 733.2325 2099.2056 1963.5617 106.4800 -206134.8352 17640.4190 0.0000 0.0000 34229.5147 -149362.4218 298.9349 -183591.9365 -149261.4201 299.3531 -66.1245 -37.1212 556645.7175 0.2306 0.1714 PRESSURE: 1785200 -10.2955 68.0704 -134.337 68.0692 -62.1209 -36.794 -134.337 -36.7954 6.20424 GPRESSURE: 1785200 8.04945 107.877 -172.435 -5.76073 -35.5157 2.41198 -121.753 12.1965 57.1123 PRESSAVG: 1785200 -47.5948 10.9986 -45.5288 10.9986 0.0927867 -10.5287 -45.5289 -10.5288 47.6062 GPRESSAVG: 1785200 -47.3086 10.5222 -45.0813 9.87092 0.374447 -8.2071 -44.1902 -11.789 47.2983 TIMING: 1785200 CPU: 5175.82, 0.00288638/step Wall: 5175.82, 0.00288638/step, 2.57753 hours remaining, 207.957031 MB of memory in use. ENERGY: 1785200 713.5463 2077.2026 1992.1863 122.0260 -205976.5532 17625.0068 0.0000 0.0000 34175.6124 -149270.9728 298.4641 -183446.5852 -149174.0699 299.2495 -22.0707 9.8820 557824.2627 0.0347 0.1214 PRESSURE: 1785400 68.0639 -16.5626 -20.5063 -16.563 41.2072 9.13589 -20.5069 9.1375 -305.907 GPRESSURE: 1785400 138.723 -52.2871 -51.417 -51.2103 70.913 -9.50683 -64.5544 35.325 -309.9 PRESSAVG: 1785400 -25.1725 43.3626 -9.52778 43.3626 58.136 24.0485 -9.52784 24.0485 -21.3827 GPRESSAVG: 1785400 -25.8856 45.4551 -11.3167 42.9511 58.6884 22.2382 -9.65602 24.6284 -20.5489 TIMING: 1785400 CPU: 5176.4, 0.00286584/step Wall: 5176.4, 0.00286584/step, 2.55904 hours remaining, 207.957031 MB of memory in use. ENERGY: 1785400 725.0204 2079.1462 1936.7772 125.4976 -206071.0364 17577.3069 0.0000 0.0000 34399.4436 -149227.8446 300.4189 -183627.2882 -149130.2891 298.5448 -65.5453 -33.4215 557406.7577 3.8603 4.0847 PRESSURE: 1785600 47.7967 -22.8786 135.872 -22.8774 -292.416 82.0821 135.871 82.0807 -88.7171 GPRESSURE: 1785600 16.6873 40.929 175.502 -92.2695 -208.9 71.7217 72.9633 123.521 -53.4626 PRESSAVG: 1785600 -4.09965 1.46337 17.3881 1.46332 33.1407 10.1877 17.3881 10.1876 -53.7748 GPRESSAVG: 1785600 -2.7157 0.947994 19.2565 1.6305 32.1366 9.06834 15.2195 11.1497 -54.019 TIMING: 1785600 CPU: 5176.97, 0.00286901/step Wall: 5176.97, 0.00286901/step, 2.56171 hours remaining, 207.957031 MB of memory in use. ENERGY: 1785600 746.7320 2132.0749 1963.5291 106.3096 -205689.0731 17448.3395 0.0000 0.0000 34085.0786 -149207.0093 297.6735 -183292.0879 -149110.3304 299.1646 -111.1122 -81.8917 556210.3084 -8.2446 -8.1994 PRESSURE: 1785800 -106.08 71.2589 100.405 71.2592 -82.5803 -49.7917 100.404 -49.791 -67.2017 GPRESSURE: 1785800 -93.4048 -64.1511 187.449 84.8177 -82.8503 -58.3513 33.6 -110.547 15.9243 PRESSAVG: 1785800 3.78484 -16.2386 20.3869 -16.2386 65.7287 46.2614 20.3868 46.2614 -74.4615 GPRESSAVG: 1785800 3.69626 -17.7558 19.2151 -15.7026 65.8566 46.8317 22.8682 46.9714 -74.7397 TIMING: 1785800 CPU: 5177.55, 0.00288082/step Wall: 5177.55, 0.00288082/step, 2.57209 hours remaining, 207.957031 MB of memory in use. ENERGY: 1785800 751.4984 2077.7261 1974.4764 117.1400 -206591.8081 17863.5422 0.0000 0.0000 34521.0260 -149286.3991 301.4807 -183807.4251 -149194.0336 299.1196 -85.2874 -53.4436 556032.2085 -1.6493 -1.7290 PRESSURE: 1786000 25.5248 -21.2212 50.286 -21.2213 157.058 -9.09357 50.2854 -9.09241 99.0624 GPRESSURE: 1786000 46.2043 47.5277 20.6949 -118.574 247.459 -7.37439 112.111 51.3834 75.0126 PRESSAVG: 1786000 -10.2285 12.8018 20.1932 12.8018 34.5916 30.7618 20.1933 30.7618 8.94132 GPRESSAVG: 1786000 -10.7504 15.5863 21.8505 12.2577 34.6856 31.5562 18.0517 29.5137 9.72821 TIMING: 1786000 CPU: 5178.12, 0.0028821/step Wall: 5178.12, 0.0028821/step, 2.57308 hours remaining, 207.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1786000 729.9535 2122.1383 1981.5438 125.6113 -206098.4996 17831.0562 0.0000 0.0000 34275.3127 -149032.8838 299.3348 -183308.1965 -148934.3541 299.4878 93.8817 122.8921 557123.5384 11.1015 11.2211 PRESSURE: 1786200 -19.8144 -188.202 -78.6171 -188.203 129.537 42.9972 -78.6171 42.9971 180.12 GPRESSURE: 1786200 21.1489 -127.504 -150.83 -216.813 206.268 -41.8142 -48.0805 113.808 156.379 PRESSAVG: 1786200 -60.0717 2.78933 12.1608 2.78931 113.219 -9.06124 12.1608 -9.06125 -22.2821 GPRESSAVG: 1786200 -59.3526 0.662277 11.2252 3.59476 112.638 -9.18852 11.565 -9.34547 -22.3246 TIMING: 1786200 CPU: 5178.7, 0.00287895/step Wall: 5178.7, 0.00287895/step, 2.5701 hours remaining, 207.957031 MB of memory in use. ENERGY: 1786200 741.8281 2083.8843 1985.2860 137.1450 -206415.4347 17916.7669 0.0000 0.0000 34464.6179 -149085.9064 300.9881 -183550.5243 -148982.6336 300.3667 96.6140 127.9321 556138.1083 10.2884 10.3201 PRESSURE: 1786400 -56.2359 27.2181 -27.6489 27.2197 310.754 -30.6023 -27.6484 -30.6025 -28.3355 GPRESSURE: 1786400 -10.9264 18.5797 -14.6188 81.0686 312.734 11.6392 -38.1784 -94.6132 20.3133 PRESSAVG: 1786400 -3.39171 -46.5346 58.0603 -46.5346 30.5312 21.644 58.0605 21.644 -24.5372 GPRESSAVG: 1786400 -3.94502 -46.6079 57.7514 -46.4742 30.4897 20.8393 60.7391 23.2252 -23.8735 TIMING: 1786400 CPU: 5179.27, 0.00287207/step Wall: 5179.27, 0.00287207/step, 2.5638 hours remaining, 207.957031 MB of memory in use. ENERGY: 1786400 724.1175 2120.8398 1950.0407 124.2522 -206057.6031 17730.8598 0.0000 0.0000 34394.4297 -149013.0634 300.3751 -183407.4931 -148921.6267 300.0270 75.3943 107.3737 556747.8734 0.8674 0.8904 PRESSURE: 1786600 90.3816 -53.8984 39.0273 -53.8983 6.18607 -71.7829 39.0271 -71.7818 -255.853 GPRESSURE: 1786600 102.723 -70.3087 56.7205 -78.1213 54.5685 -32.3072 83.3928 -49.2074 -224.72 PRESSAVG: 1786600 14.9504 -1.25913 17.6875 -1.25907 17.2908 43.984 17.6875 43.984 -33.1821 GPRESSAVG: 1786600 15.3645 -1.66238 17.4579 -0.668213 18.9204 44.8989 18.0757 42.9336 -35.0866 TIMING: 1786600 CPU: 5179.84, 0.00285447/step Wall: 5179.84, 0.00285447/step, 2.54794 hours remaining, 207.957031 MB of memory in use. ENERGY: 1786600 747.1403 2150.9389 1941.1968 113.1567 -206055.7293 17823.0373 0.0000 0.0000 34305.3012 -148974.9580 299.5967 -183280.2592 -148878.5141 299.7117 -53.0950 -22.4763 559468.1121 -0.3136 -0.2672 PRESSURE: 1786800 285.38 65.605 -15.4522 65.6049 70.949 -57.196 -15.4506 -57.1962 11.5759 GPRESSURE: 1786800 282.963 177.079 54.5759 24.0058 103.84 30.4629 15.0391 -36.315 73.319 PRESSAVG: 1786800 59.2871 -33.8996 -4.42323 -33.8995 -7.87571 43.7334 -4.42325 43.7334 -42.2959 GPRESSAVG: 1786800 58.2303 -31.0814 -1.7332 -34.2761 -8.13017 45.7293 -6.52349 44.1588 -40.8931 TIMING: 1786800 CPU: 5180.42, 0.00290023/step Wall: 5180.42, 0.00290023/step, 2.58862 hours remaining, 207.957031 MB of memory in use. ENERGY: 1786800 729.7166 2162.8025 1955.3032 118.9925 -205967.0212 17806.8973 0.0000 0.0000 34363.0243 -148830.2849 300.1008 -183193.3092 -148738.2204 300.1143 122.6349 153.3742 556319.0678 3.0385 3.0690 PRESSURE: 1787000 -77.7437 -127.864 -143.714 -127.864 194.109 157.165 -143.715 157.165 94.0506 GPRESSURE: 1787000 -37.6705 -194.745 -128.638 -97.7231 185.081 76.3094 -98.8322 157.905 153.022 PRESSAVG: 1787000 2.57572 7.70259 -43.9868 7.70262 -7.84615 54.4648 -43.9869 54.4647 -21.7326 GPRESSAVG: 1787000 2.51217 5.14373 -45.308 8.7655 -8.84698 52.2943 -42.4643 53.3973 -20.652 TIMING: 1787000 CPU: 5181, 0.00286933/step Wall: 5181, 0.00286933/step, 2.56088 hours remaining, 207.957031 MB of memory in use. ENERGY: 1787000 739.2295 2077.6515 1927.2432 119.4220 -205945.1226 17895.4939 0.0000 0.0000 34188.1189 -148997.9637 298.5733 -183186.0825 -148897.7120 300.0351 70.1386 100.1442 558466.7776 -9.0010 -8.9956 PRESSURE: 1787200 90.0199 81.7485 -44.131 81.7488 107.842 99.9359 -44.1306 99.9366 -91.6359 GPRESSURE: 1787200 78.0345 121.506 -75.8494 39.8976 139.818 104.781 -49.0484 57.7895 -4.38113 PRESSAVG: 1787200 22.0834 27.852 -30.5037 27.852 15.4514 94.255 -30.5037 94.255 -73.9781 GPRESSAVG: 1787200 22.0779 30.5083 -29.399 25.4536 17.0159 93.6164 -31.1104 95.7152 -75.5362 TIMING: 1787200 CPU: 5181.57, 0.00288272/step Wall: 5181.57, 0.00288272/step, 2.57267 hours remaining, 207.957031 MB of memory in use. ENERGY: 1787200 772.4083 2101.1380 1961.8952 99.1592 -206204.8642 18003.1676 0.0000 0.0000 34432.7347 -148834.3612 300.7096 -183267.0959 -148735.2681 300.0334 35.4086 71.1570 557673.3657 -12.1478 -12.1475 PRESSURE: 1787400 -12.8188 85.4062 86.1357 85.4047 -166.403 58.0107 86.1365 58.0103 -262.241 GPRESSURE: 1787400 -13.7873 98.3317 29.1149 -6.3311 -121.409 81.6199 79.7407 80.0785 -217.501 PRESSAVG: 1787400 41.9959 -0.278428 -26.9766 -0.278387 23.3374 35.2819 -26.9766 35.2819 -24.4204 GPRESSAVG: 1787400 41.8049 -4.23894 -29.5212 -0.132468 23.4438 36.1946 -25.6776 33.6837 -24.2228 TIMING: 1787400 CPU: 5182.15, 0.00290283/step Wall: 5182.15, 0.00290283/step, 2.59045 hours remaining, 207.957031 MB of memory in use. ENERGY: 1787400 779.8694 2103.3997 1958.9982 124.4563 -205931.9788 17711.7534 0.0000 0.0000 34292.0084 -148961.4933 299.4806 -183253.5018 -148869.7759 300.3989 -147.1543 -117.5658 559260.0278 13.6376 13.6753 PRESSURE: 1787600 -116.542 -95.5146 252.434 -95.5143 -73.5309 14.5151 252.434 14.5152 -125.603 GPRESSURE: 1787600 -80.6467 -15.9609 216.465 -114.891 -29.484 147.363 261.975 -96.9779 -111.608 PRESSAVG: 1787600 -22.5306 -28.9043 35.6503 -28.9044 -1.73831 26.322 35.6504 26.3219 19.5332 GPRESSAVG: 1787600 -23.4403 -26.2935 36.2194 -30.0506 -2.12506 27.9631 34.9044 25.6667 20.6903 TIMING: 1787600 CPU: 5182.73, 0.00290624/step Wall: 5182.73, 0.00290624/step, 2.59333 hours remaining, 207.957031 MB of memory in use. ENERGY: 1787600 775.1586 2126.3019 1964.3778 126.3222 -205560.1762 17556.9497 0.0000 0.0000 34188.5531 -148822.5128 298.5771 -183011.0660 -148725.0638 300.0266 -105.2253 -73.9130 558717.1271 -1.5786 -1.6250 PRESSURE: 1787800 -68.6438 159.091 39.0649 159.091 -172.343 43.4514 39.0644 43.4499 -47.6336 GPRESSURE: 1787800 -55.1579 171.117 -31.2121 153.893 -134.1 -21.5488 82.1941 8.21272 -5.09551 PRESSAVG: 1787800 34.736 -1.70961 -0.609555 -1.70961 -0.796172 5.3938 -0.609649 5.39377 19.0512 GPRESSAVG: 1787800 35.7596 -2.34481 1.11847 1.01025 -0.243328 6.41158 -1.83604 5.47136 18.0076 TIMING: 1787800 CPU: 5183.32, 0.00291266/step Wall: 5183.32, 0.00291266/step, 2.5989 hours remaining, 207.957031 MB of memory in use. ENERGY: 1787800 744.8468 2159.9066 1942.8649 116.8922 -205704.0601 17605.9555 0.0000 0.0000 34285.7649 -148847.8294 299.4261 -183133.5943 -148752.6881 300.3408 -96.2067 -64.7845 558302.2708 17.6637 17.8413 PRESSURE: 1788000 153.21 -25.8995 -70.2806 -25.8999 87.6021 23.2249 -70.2812 23.2239 87.9496 GPRESSURE: 1788000 177.208 -17.9638 20.9454 54.9197 146.143 79.8955 -152.012 -95.6069 85.9557 PRESSAVG: 1788000 10.7048 22.4141 45.4742 22.414 -21.3242 82.113 45.4742 82.1131 -14.0993 GPRESSAVG: 1788000 11.6644 24.0762 42.9085 19.8228 -22.2321 80.6815 46.1483 83.7241 -14.2941 TIMING: 1788000 CPU: 5183.9, 0.00289286/step Wall: 5183.9, 0.00289286/step, 2.58107 hours remaining, 207.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1788000 761.7750 2138.8232 1961.0792 123.6241 -205942.7335 17843.0224 0.0000 0.0000 34343.2876 -148771.1220 299.9285 -183114.4097 -148680.5307 300.5211 109.5873 136.4356 556924.9664 -8.2396 -8.2873 PRESSURE: 1788200 205.966 -147.004 97.7118 -147.004 23.4708 6.90831 97.7123 6.90768 -19.9794 GPRESSURE: 1788200 216.731 -215.916 126.254 -108.263 63.3166 39.3433 54.6733 -27.3091 22.3431 PRESSAVG: 1788200 -21.755 -4.54548 -14.1649 -4.54549 35.5465 31.2717 -14.1649 31.2718 -19.9352 GPRESSAVG: 1788200 -21.6731 -7.35335 -12.001 -2.95032 35.0052 28.7854 -15.5071 31.2734 -19.5859 TIMING: 1788200 CPU: 5184.47, 0.00289297/step Wall: 5184.47, 0.00289297/step, 2.58101 hours remaining, 207.957031 MB of memory in use. ENERGY: 1788200 721.0798 2119.8438 1953.1240 115.0734 -205973.7693 17904.5822 0.0000 0.0000 34380.2248 -148779.8414 300.2511 -183160.0662 -148682.2780 301.0609 69.8191 100.7969 557113.6063 -2.0479 -2.0846 LDB: ============= START OF LOAD BALANCING ============== 5187.86 LDB: ============== END OF LOAD BALANCING =============== 5187.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5187.86 LDB: ============= START OF LOAD BALANCING ============== 5188.15 LDB: Largest compute 4820 load 0.024919 is 21.1% of average load 0.117920 LDB: Average compute 0.001723 is 1.5% of average load 0.117920 LDB: TIME 5188.16 LOAD: AVG 0.11792 MAX 0.179197 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.727 MB LDB: TIME 5188.16 LOAD: AVG 0.11792 MAX 0.179197 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: TIME 5188.16 LOAD: AVG 0.11792 MAX 0.179197 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: ============== END OF LOAD BALANCING =============== 5188.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5188.16 PRESSURE: 1788400 -248.988 -77.4515 -41.1095 -77.4509 -156.641 -156.361 -41.1088 -156.362 -152.727 GPRESSURE: 1788400 -231.484 -63.3672 -75.0547 -15.0235 -42.0135 -170.287 -68.546 -67.1311 -189.024 PRESSAVG: 1788400 -10.7195 -37.5364 -19.593 -37.5364 8.59942 -33.1184 -19.593 -33.1184 -8.90974 GPRESSAVG: 1788400 -11.7398 -37.5056 -20.4893 -36.6792 8.76774 -31.6817 -18.9192 -34.4305 -7.73999 TIMING: 1788400 CPU: 5185.07, 0.00295798/step Wall: 5185.07, 0.00295798/step, 2.63885 hours remaining, 208.398438 MB of memory in use. ENERGY: 1788400 732.0179 2110.3221 1940.0978 119.3763 -205481.8490 17326.4276 0.0000 0.0000 34454.9213 -148798.6859 300.9034 -183253.6072 -148696.8813 300.9115 -186.1186 -154.1738 558385.1707 -3.6766 -3.5707 PRESSURE: 1788600 127.058 90.0777 106.194 90.0762 212.283 -106.228 106.194 -106.226 -106.445 GPRESSURE: 1788600 121.05 186.583 107.489 60.9444 264.267 -91.335 112.099 -100.187 -46.5567 PRESSAVG: 1788600 -30.3387 -6.68356 11.1577 -6.6836 -12.1594 16.3316 11.1578 16.3316 38.7619 GPRESSAVG: 1788600 -29.9755 -5.26248 11.4496 -8.92937 -11.5967 17.2035 11.7001 15.9939 37.755 TIMING: 1788600 CPU: 5185.64, 0.00289205/step Wall: 5185.64, 0.00289205/step, 2.57987 hours remaining, 208.601562 MB of memory in use. ENERGY: 1788600 730.1441 2045.6533 1932.5588 109.0638 -206233.6310 17959.5935 0.0000 0.0000 34473.7878 -148982.8297 301.0682 -183456.6176 -148879.4225 301.2835 77.6319 112.9202 556119.4969 -1.2454 -1.2724 PRESSURE: 1788800 -378.005 39.5917 -114.067 39.5906 -241.999 106.062 -114.067 106.062 -369.601 GPRESSURE: 1788800 -398.767 -20.7192 -67.1065 39.1436 -231.171 -28.6242 -96.6928 165.461 -278.223 PRESSAVG: 1788800 -41.2339 45.9126 27.5237 45.9125 113.813 5.89263 27.5237 5.89263 -76.103 GPRESSAVG: 1788800 -41.2342 46.0399 28.0892 46.6255 113.276 5.75892 26.9657 8.32775 -76.0715 TIMING: 1788800 CPU: 5186.22, 0.00290026/step Wall: 5186.22, 0.00290026/step, 2.58703 hours remaining, 208.601562 MB of memory in use. ENERGY: 1788800 759.7307 2111.8511 1938.4275 116.3873 -205511.2498 17236.6733 0.0000 0.0000 34416.7535 -148931.4263 300.5701 -183348.1798 -148835.4787 300.2802 -329.8686 -302.7205 558192.1556 -1.1748 -1.3434 PRESSURE: 1789000 183.002 59.0575 -2.28935 59.0571 -55.5084 -45.5634 -2.28974 -45.5624 -342.254 GPRESSURE: 1789000 196.689 20.7842 -57.715 80.0767 -52.3431 18.2313 62.8023 -93.3995 -272.456 PRESSAVG: 1789000 32.1388 28.3223 -40.6508 28.3223 -37.6106 10.9229 -40.6508 10.9228 -33.0538 GPRESSAVG: 1789000 31.4059 31.031 -40.3678 25.6784 -37.7543 10.7272 -40.8573 10.7987 -32.0309 TIMING: 1789000 CPU: 5186.8, 0.00288678/step Wall: 5186.8, 0.00288678/step, 2.57485 hours remaining, 208.601562 MB of memory in use. ENERGY: 1789000 782.9391 2127.6356 1954.2632 115.2651 -206139.2931 17797.7044 0.0000 0.0000 34287.7121 -149073.7736 299.4431 -183361.4857 -148974.3956 300.2367 -71.5870 -42.7035 557568.6948 -12.8419 -12.7931 PRESSURE: 1789200 -55.0216 65.5444 121.291 65.5434 -7.48281 96.4879 121.292 96.4879 -80.3181 GPRESSURE: 1789200 -11.3376 40.2989 125.88 28.342 -0.771475 67.034 115.205 33.9851 -51.8867 PRESSAVG: 1789200 30.1835 9.37817 -5.7604 9.37814 -16.1 2.90178 -5.76041 2.90184 34.5738 GPRESSAVG: 1789200 30.3993 6.55884 -6.75609 11.9968 -15.285 2.11643 -4.29378 2.56574 33.8007 TIMING: 1789200 CPU: 5187.38, 0.00288909/step Wall: 5187.38, 0.00288909/step, 2.57675 hours remaining, 208.601562 MB of memory in use. ENERGY: 1789200 767.3313 2118.5688 1959.7648 113.6004 -206099.4387 17708.5458 0.0000 0.0000 34229.4034 -149202.2242 298.9339 -183431.6277 -149115.6125 299.8880 -47.6075 -21.3319 556398.7779 16.2191 16.3050 PRESSURE: 1789400 104.463 13.2552 138.186 13.2531 -286.93 -3.38573 138.185 -3.38563 -120.949 GPRESSURE: 1789400 130.866 -91.6977 167.347 3.47695 -271.597 -23.8002 121.779 -54.2158 -64.4182 PRESSAVG: 1789400 92.745 33.6857 10.8828 33.6856 -41.7936 65.8595 10.8829 65.8595 -28.9691 GPRESSAVG: 1789400 93.05 32.2699 10.5467 33.3748 -42.2874 66.3771 10.3288 64.4895 -29.3604 TIMING: 1789400 CPU: 5187.96, 0.00288951/step Wall: 5187.96, 0.00288951/step, 2.57696 hours remaining, 208.601562 MB of memory in use. ENERGY: 1789400 764.8087 2123.2969 1955.0229 124.2862 -205819.0099 17533.5567 0.0000 0.0000 34166.5601 -149151.4784 298.3851 -183318.0385 -149055.8975 299.1525 -101.1387 -68.3833 557388.4351 7.3274 7.1341 PRESSURE: 1789600 21.6813 -25.1661 26.6344 -25.1659 24.799 -6.31446 26.6335 -6.31504 -234.368 GPRESSURE: 1789600 78.197 -61.3548 54.9286 -1.27138 48.1107 -16.3524 -20.9002 -67.6046 -218.878 PRESSAVG: 1789600 81.1525 -55.9482 2.28948 -55.9481 -31.6242 -4.76663 2.28951 -4.76655 -40.2782 GPRESSAVG: 1789600 81.7315 -55.798 4.66634 -56.0722 -30.8086 -6.8491 -1.47889 -2.54436 -41.4511 TIMING: 1789600 CPU: 5188.53, 0.00286288/step Wall: 5188.53, 0.00286288/step, 2.55305 hours remaining, 208.601562 MB of memory in use. ENERGY: 1789600 742.2166 2079.2989 1948.9569 116.7641 -206191.7022 17721.4522 0.0000 0.0000 34476.4025 -149106.6110 301.0910 -183583.0135 -149005.9166 299.6641 -62.6292 -30.8568 555709.6892 3.0834 3.1573 PRESSURE: 1789800 115.996 -80.3674 131.514 -80.3676 -3.98414 85.78 131.514 85.7806 -254.499 GPRESSURE: 1789800 71.8104 -87.6919 58.9579 -31.8013 27.2747 80.9237 141.612 37.7166 -153.934 PRESSAVG: 1789800 25.2183 -81.6558 73.9228 -81.6557 13.7114 16.1992 73.9228 16.1991 -59.2933 GPRESSAVG: 1789800 23.3652 -79.5266 74.0529 -82.2747 13.5049 17.969 75.5923 13.9108 -57.7183 TIMING: 1789800 CPU: 5189.11, 0.00288762/step Wall: 5189.11, 0.00288762/step, 2.57495 hours remaining, 208.601562 MB of memory in use. ENERGY: 1789800 736.9601 2101.0671 1980.5468 114.9535 -205674.8774 17599.7290 0.0000 0.0000 34121.0173 -149020.6036 297.9873 -183141.6208 -148920.6291 299.5540 -47.4956 -18.2828 556794.6748 -6.7879 -6.9494 PRESSURE: 1790000 113.735 -36.0844 -93.3339 -36.0857 67.1031 -17.4344 -93.3337 -17.4343 225.644 GPRESSURE: 1790000 130.418 3.73856 -61.5208 9.56998 80.7638 26.3638 -158.144 -12.1173 281.647 PRESSAVG: 1790000 42.6534 -0.132715 -15.4631 -0.132653 32.4826 7.26075 -15.4631 7.26072 -24.7573 GPRESSAVG: 1790000 41.9817 -0.531238 -15.4884 -0.827505 32.3995 6.77301 -16.6295 7.54377 -24.2216 TIMING: 1790000 CPU: 5189.68, 0.0028823/step Wall: 5189.68, 0.0028823/step, 2.57005 hours remaining, 208.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1790000 722.8656 2102.4791 1967.6285 115.0902 -205910.1459 17775.4995 0.0000 0.0000 34201.4842 -149025.0988 298.6901 -183226.5830 -148932.3746 299.6760 135.4943 164.2764 557019.9488 16.7929 16.7199 PRESSURE: 1790200 11.1036 -245.063 -60.8831 -245.062 -81.0748 103.839 -60.8828 103.838 288.487 GPRESSURE: 1790200 60.4256 -254.413 -127.946 -280.653 -19.5445 166.779 79.1547 68.4043 270.524 PRESSAVG: 1790200 -20.2972 44.1168 18.6518 44.1166 -4.55008 -14.6538 18.6519 -14.6539 7.53408 GPRESSAVG: 1790200 -19.2873 43.2085 16.6174 45.9356 -3.90728 -15.945 20.013 -14.8715 6.06272 TIMING: 1790200 CPU: 5190.26, 0.00287881/step Wall: 5190.26, 0.00287881/step, 2.56678 hours remaining, 208.601562 MB of memory in use. ENERGY: 1790200 758.0990 2106.4527 1958.4935 117.9663 -206240.2355 17911.1671 0.0000 0.0000 34321.5463 -149066.5105 299.7386 -183388.0568 -148972.7880 299.6713 72.8386 103.8018 557111.9958 -5.7711 -5.7106 PRESSURE: 1790400 138.036 46.795 -144.443 46.7952 64.4727 69.418 -144.443 69.418 260.62 GPRESSURE: 1790400 169.894 -63.3006 -168.432 39.7703 150.776 12.3179 -165.226 68.5075 242.74 PRESSAVG: 1790400 -18.007 -25.3794 -9.82381 -25.3793 11.618 -37.5945 -9.82368 -37.5946 19.1516 GPRESSAVG: 1790400 -17.6647 -24.1019 -9.13218 -27.0699 11.7505 -37.088 -8.61683 -36.6347 19.0611 TIMING: 1790400 CPU: 5190.84, 0.00288686/step Wall: 5190.84, 0.00288686/step, 2.57379 hours remaining, 208.601562 MB of memory in use. ENERGY: 1790400 707.6603 2111.4082 1961.2209 115.9502 -206170.5904 17878.2849 0.0000 0.0000 34506.1604 -148889.9055 301.3509 -183396.0659 -148793.2803 300.2417 154.3764 187.8030 556637.8679 4.2542 4.3823 PRESSURE: 1790600 294.346 6.70804 -72.6256 6.70727 257.607 94.7968 -72.627 94.7976 -53.5998 GPRESSURE: 1790600 285.445 43.4884 -44.4526 68.4794 287.093 9.26267 -50.5841 108.671 26.6045 PRESSAVG: 1790600 37.6484 3.01042 -57.1229 3.01035 -25.7196 -38.2522 -57.1229 -38.2523 -58.8652 GPRESSAVG: 1790600 37.288 0.794848 -56.8841 4.00538 -26.1246 -37.931 -57.8119 -39.2268 -58.2006 TIMING: 1790600 CPU: 5191.41, 0.00288489/step Wall: 5191.41, 0.00288489/step, 2.57188 hours remaining, 208.601562 MB of memory in use. ENERGY: 1790600 767.9139 2048.8564 1939.3258 119.9034 -206254.8291 17901.4912 0.0000 0.0000 34596.2923 -148881.0462 302.1380 -183477.3385 -148782.3718 299.7538 166.1178 199.7143 555586.5745 -15.6455 -15.6791 PRESSURE: 1790800 47.6744 25.3235 123.379 25.3222 -13.9801 16.8323 123.378 16.833 44.4365 GPRESSURE: 1790800 105.152 75.4444 190.363 -19.7186 28.5469 31.7099 212.94 72.8666 50.7192 PRESSAVG: 1790800 44.2433 10.3935 39.4578 10.3934 -32.7169 1.69868 39.4577 1.69871 -14.5481 GPRESSAVG: 1790800 44.4865 12.0651 39.2221 10.949 -31.5268 1.56037 40.2638 2.18451 -15.4025 TIMING: 1790800 CPU: 5191.99, 0.00289044/step Wall: 5191.99, 0.00289044/step, 2.57667 hours remaining, 208.601562 MB of memory in use. ENERGY: 1790800 763.5904 2124.4370 1932.3762 119.0344 -205803.2633 17607.6444 0.0000 0.0000 34461.8152 -148794.3655 300.9636 -183256.1807 -148700.2895 300.4730 26.0436 61.4728 557095.9614 -1.0072 -0.8143 PRESSURE: 1791000 -71.8506 -41.5575 -58.9322 -41.5564 15.3038 148.358 -58.9325 148.357 35.1797 GPRESSURE: 1791000 -63.8904 -5.90228 15.874 -46.4748 114.975 165.421 -143.825 153.412 20.5779 PRESSAVG: 1791000 -60.4511 -13.9741 10.1077 -13.9741 12.5267 53.7014 10.1078 53.7013 62.3403 GPRESSAVG: 1791000 -60.0718 -15.8683 8.2738 -13.2626 11.8762 54.5311 12.1635 53.412 62.2268 TIMING: 1791000 CPU: 5192.57, 0.00288704/step Wall: 5192.57, 0.00288704/step, 2.57348 hours remaining, 208.601562 MB of memory in use. ENERGY: 1791000 766.7749 2076.7878 1934.4796 106.6186 -206055.8981 17721.7489 0.0000 0.0000 34372.1719 -149077.3165 300.1807 -183449.4884 -148988.2970 299.9420 -7.1224 23.8873 555846.0756 4.8053 4.6771 PRESSURE: 1791200 -261.659 45.1527 20.1291 45.1529 248.513 -155.342 20.13 -155.342 149.124 GPRESSURE: 1791200 -260.055 113.369 25.5691 -60.7504 261.292 -156.113 63.4147 -223.889 220.032 PRESSAVG: 1791200 -10.1615 39.0835 0.865588 39.0834 19.739 -9.82778 0.865623 -9.82787 -14.9636 GPRESSAVG: 1791200 -9.98994 39.998 1.2677 37.6146 19.5635 -11.4666 -0.243302 -9.50342 -14.9047 TIMING: 1791200 CPU: 5193.15, 0.002891/step Wall: 5193.15, 0.002891/step, 2.57684 hours remaining, 208.601562 MB of memory in use. ENERGY: 1791200 736.8155 2070.3729 1923.6828 105.5718 -206014.3727 17763.9757 0.0000 0.0000 34301.6223 -149112.3317 299.5646 -183413.9540 -149017.2867 299.0339 45.3259 73.7561 557393.6857 -1.7954 -1.7771 PRESSURE: 1791400 -185.069 59.3831 -133.143 59.3841 -41.5188 83.4479 -133.143 83.4466 -38.418 GPRESSURE: 1791400 -145.035 61.0516 -88.9502 1.48248 -79.8633 119.569 -113.298 45.4898 52.464 PRESSAVG: 1791400 7.41121 39.0298 -33.9134 39.0297 -6.17542 29.657 -33.9133 29.6569 -16.3353 GPRESSAVG: 1791400 7.78231 39.7655 -34.1265 39.9912 -7.33698 31.5772 -32.72 28.5294 -16.0041 TIMING: 1791400 CPU: 5193.73, 0.0028911/step Wall: 5193.73, 0.0028911/step, 2.57677 hours remaining, 208.601562 MB of memory in use. ENERGY: 1791400 783.3143 2062.9294 1951.0346 107.0317 -206299.1938 17884.8112 0.0000 0.0000 34222.0657 -149288.0069 298.8698 -183510.0726 -149196.5962 299.5419 -88.3352 -57.4782 557764.6650 -5.0332 -5.1862 PRESSURE: 1791600 84.6562 63.8198 14.3347 63.8199 -31.8884 -133.677 14.3341 -133.676 -176.62 GPRESSURE: 1791600 118.914 36.17 -13.9157 13.3888 13.0134 -194.627 102.752 -94.4136 -160.015 PRESSAVG: 1791600 52.4407 31.6094 -38.7298 31.6093 -23.9923 11.1335 -38.7299 11.1334 -64.0077 GPRESSAVG: 1791600 52.3793 29.4072 -38.7887 31.0114 -23.2984 9.60783 -37.1362 11.2152 -64.2316 TIMING: 1791600 CPU: 5194.31, 0.00289357/step Wall: 5194.31, 0.00289357/step, 2.57881 hours remaining, 208.601562 MB of memory in use. ENERGY: 1791600 728.7383 2058.0404 1980.7347 105.2773 -206626.3028 17939.9737 0.0000 0.0000 34479.2440 -149334.2945 301.1158 -183813.5384 -149234.1173 298.7230 -41.2839 -9.3626 558716.2006 -11.8531 -11.7169 PRESSURE: 1791800 -26.3943 45.9068 -61.1947 45.9069 9.39908 -59.2555 -61.1943 -59.2528 -76.3251 GPRESSURE: 1791800 11.5477 110.524 -116.518 84.4734 40.9889 -12.45 -63.7483 -62.1664 -58.9774 PRESSAVG: 1791800 40.1395 7.77128 23.4116 7.77133 30.1189 57.8122 23.4117 57.8121 -73.1278 GPRESSAVG: 1791800 39.5117 10.1478 23.597 8.05239 30.3731 60.7247 20.1773 57.6805 -72.6216 TIMING: 1791800 CPU: 5194.89, 0.00290279/step Wall: 5194.89, 0.00290279/step, 2.58687 hours remaining, 208.601562 MB of memory in use. ENERGY: 1791800 767.7946 2057.7911 1930.1276 104.3420 -206178.8177 17815.6674 0.0000 0.0000 34170.5354 -149332.5595 298.4198 -183503.0949 -149234.0566 298.5506 -31.1068 -2.1469 558876.2842 -0.9565 -0.9123 PRESSURE: 1792000 42.4722 22.8453 -13.1756 22.8446 -126.658 149.426 -13.1742 149.427 -250.025 GPRESSURE: 1792000 60.4357 -9.24866 -128.954 60.4434 -96.0527 135.848 -25.3326 118.593 -195.039 PRESSAVG: 1792000 46.039 -13.9253 -38.9336 -13.9255 28.9661 51.6124 -38.9335 51.6124 -39.3435 GPRESSAVG: 1792000 46.2114 -15.3194 -36.7029 -14.24 28.1463 48.7396 -38.3614 51.4919 -38.9754 TIMING: 1792000 CPU: 5195.46, 0.00289622/step Wall: 5195.46, 0.00289622/step, 2.58085 hours remaining, 208.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1792000 711.4066 2100.3251 1965.2604 109.5163 -206011.4778 17754.6934 0.0000 0.0000 34090.7118 -149279.5643 297.7227 -183370.2761 -149177.7263 299.0225 -111.4035 -76.8855 559214.5918 11.8872 11.7941 PRESSURE: 1792200 -27.3732 28.5222 38.8793 28.5215 -198.195 176.365 38.8791 176.366 -135.372 GPRESSURE: 1792200 44.2832 36.788 33.4628 85.98 -203.279 133.597 -27.0366 141.822 -102.586 PRESSAVG: 1792200 47.8463 47.4061 -20.7253 47.4062 -37.158 30.2992 -20.7253 30.2992 -34.9851 GPRESSAVG: 1792200 47.9925 46.3537 -22.1985 47.7528 -37.7991 29.8099 -18.8434 31.6687 -35.4424 TIMING: 1792200 CPU: 5196.04, 0.00287584/step Wall: 5196.04, 0.00287584/step, 2.56253 hours remaining, 208.601562 MB of memory in use. ENERGY: 1792200 754.7112 2119.5478 1916.9091 113.4763 -206330.6386 17588.9651 0.0000 0.0000 34509.5110 -149327.5181 301.3801 -183837.0291 -149221.6443 299.7489 -120.3134 -87.1938 559222.7281 -8.0990 -8.4163 LDB: ============= START OF LOAD BALANCING ============== 5199.42 LDB: ============== END OF LOAD BALANCING =============== 5199.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5199.43 LDB: ============= START OF LOAD BALANCING ============== 5199.71 LDB: Largest compute 4820 load 0.023636 is 20.0% of average load 0.117886 LDB: Average compute 0.001718 is 1.5% of average load 0.117886 LDB: TIME 5199.72 LOAD: AVG 0.117886 MAX 0.178682 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.918 MB LDB: TIME 5199.72 LOAD: AVG 0.117886 MAX 0.178682 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.922 MB LDB: TIME 5199.72 LOAD: AVG 0.117886 MAX 0.178682 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5199.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5199.72 PRESSURE: 1792400 -29.0326 -21.7871 59.6713 -21.788 -82.2382 -90.7576 59.6707 -90.7581 -203.69 GPRESSURE: 1792400 14.1407 -60.0307 52.745 -22.1896 -55.2713 -138.059 92.5181 -88.2071 -165.608 PRESSAVG: 1792400 34.6437 -9.25738 -14.2775 -9.25736 -15.5443 59.8025 -14.2776 59.8024 -27.1707 GPRESSAVG: 1792400 34.0113 -8.34601 -14.6666 -9.54312 -14.3386 60.8154 -15.9885 57.4728 -27.5466 TIMING: 1792400 CPU: 5196.63, 0.00293799/step Wall: 5196.63, 0.00293799/step, 2.61775 hours remaining, 209.406250 MB of memory in use. ENERGY: 1792400 722.9216 2130.6827 1934.4477 117.7351 -206113.2201 17724.2799 0.0000 0.0000 34187.0532 -149296.1000 298.5640 -183483.1532 -149206.8205 299.0677 -104.9870 -68.9129 558648.8115 -2.6905 -2.6247 PRESSURE: 1792600 -239.218 -144.355 -10.3958 -144.356 -217.419 118.724 -10.3943 118.723 -61.1574 GPRESSURE: 1792600 -195.773 -223.213 -12.1511 -54.0823 -176.324 145.519 40.5621 50.938 -54.1414 PRESSAVG: 1792600 -29.2579 30.1839 -13.4838 30.1838 -7.36232 -2.89452 -13.4839 -2.89455 51.3878 GPRESSAVG: 1792600 -29.2234 30.0803 -14.8902 29.5168 -6.8081 -1.59025 -12.2018 -2.62253 50.9636 TIMING: 1792600 CPU: 5197.21, 0.00289431/step Wall: 5197.21, 0.00289432/step, 2.57867 hours remaining, 209.406250 MB of memory in use. ENERGY: 1792600 777.0965 2059.6854 1967.8806 115.8623 -206273.4460 17792.4319 0.0000 0.0000 34205.8925 -149354.5968 298.7286 -183560.4893 -149250.4297 298.8224 -172.5982 -142.0798 558762.5007 4.9225 4.9774 PRESSURE: 1792800 123.201 17.7021 97.5759 17.7036 114.807 2.6183 97.5767 2.61771 261.564 GPRESSURE: 1792800 209.112 49.2423 -6.00052 -99.5251 114.396 7.45732 79.4883 -66.2745 268.103 PRESSAVG: 1792800 46.4527 7.41314 -6.26638 7.41307 4.16 19.9046 -6.26636 19.9046 -7.03375 GPRESSAVG: 1792800 47.0869 8.57375 -6.59131 7.77964 2.43043 19.9932 -5.74038 20.6234 -6.30792 TIMING: 1792800 CPU: 5197.79, 0.00290569/step Wall: 5197.79, 0.00290569/step, 2.58865 hours remaining, 209.406250 MB of memory in use. ENERGY: 1792800 763.3599 2096.4719 1955.7966 102.6807 -206675.5851 18110.0560 0.0000 0.0000 34282.4870 -149364.7330 299.3975 -183647.2200 -149273.0992 299.0265 166.5240 197.2040 557063.8166 14.5263 14.4031 PRESSURE: 1793000 -191.54 90.0521 -139.325 90.0519 -184.486 100.458 -139.326 100.459 -122.157 GPRESSURE: 1793000 -156.281 86.8805 -128.721 126.609 -132.13 46.803 -158.843 53.3287 -105.352 PRESSAVG: 1793000 18.7178 34.4439 -11.8304 34.4439 -17.218 -4.73516 -11.8305 -4.73521 -40.8911 GPRESSAVG: 1793000 17.8854 33.9557 -9.13803 33.2717 -16.4513 -5.54111 -14.5092 -3.1641 -40.6949 TIMING: 1793000 CPU: 5198.37, 0.00291564/step Wall: 5198.37, 0.00291564/step, 2.59735 hours remaining, 209.406250 MB of memory in use. ENERGY: 1793000 733.0499 2087.6045 1952.7033 113.7109 -205866.4408 17573.7993 0.0000 0.0000 34067.4796 -149338.0933 297.5198 -183405.5729 -149238.7614 299.5894 -166.0610 -131.2544 558656.1195 -13.1304 -13.0869 PRESSURE: 1793200 -38.415 -5.11842 -63.0735 -5.11809 -52.0736 43.5804 -63.0721 43.5797 -45.4839 GPRESSURE: 1793200 -53.0491 -56.6138 16.322 4.64036 -16.2509 96.9007 -71.265 56.2972 26.4156 PRESSAVG: 1793200 23.408 -15.9025 -6.09769 -15.9026 -60.4374 -24.178 -6.09765 -24.178 34.3611 GPRESSAVG: 1793200 24.0256 -17.2633 -5.12521 -14.496 -60.2718 -22.4549 -6.64126 -23.9337 34.2725 TIMING: 1793200 CPU: 5198.95, 0.00289778/step Wall: 5198.95, 0.00289778/step, 2.58127 hours remaining, 209.406250 MB of memory in use. ENERGY: 1793200 764.5241 2073.5462 1967.4314 115.2839 -206051.4077 17754.4712 0.0000 0.0000 34042.0781 -149334.0728 297.2979 -183376.1508 -149239.2175 299.2690 -45.3242 -14.2948 557712.3632 -0.8894 -0.6579 PRESSURE: 1793400 -326.299 101.475 -10.7004 101.474 -270.137 134.504 -10.7015 134.504 -346.14 GPRESSURE: 1793400 -275.38 109.808 -100.497 127.062 -239.794 160.728 8.96442 151.519 -351.315 PRESSAVG: 1793400 -21.6391 -61.2793 -22.268 -61.2793 18.5428 20.3253 -22.268 20.3253 -6.99931 GPRESSAVG: 1793400 -22.0517 -60.5124 -24.81 -61.3157 18.5555 19.0658 -19.9229 20.871 -6.89969 TIMING: 1793400 CPU: 5199.53, 0.00289212/step Wall: 5199.53, 0.00289212/step, 2.57608 hours remaining, 209.406250 MB of memory in use. ENERGY: 1793400 794.7181 2066.2084 1958.3068 116.4935 -205962.3901 17278.8145 0.0000 0.0000 34172.2056 -149575.6431 298.4344 -183747.8487 -149473.3127 298.1659 -314.1919 -288.8297 557238.2656 -3.3652 -3.4653 PRESSURE: 1793600 -31.3769 -93.6147 27.8255 -93.6141 99.7198 -80.1461 27.8244 -80.1461 -192.623 GPRESSURE: 1793600 0.799678 -27.8969 6.17639 -99.3881 114.036 -110.406 43.9685 -34.1931 -139.664 PRESSAVG: 1793600 -15.2762 -0.526154 -16.6901 -0.526204 5.6439 26.1178 -16.6901 26.1178 -25.0208 GPRESSAVG: 1793600 -16.7311 -0.210382 -15.9043 0.21335 6.88398 26.0261 -16.4273 26.0057 -24.5391 TIMING: 1793600 CPU: 5200.11, 0.00290471/step Wall: 5200.11, 0.00290471/step, 2.58713 hours remaining, 209.406250 MB of memory in use. ENERGY: 1793600 750.0766 2049.2160 1963.8014 112.4910 -206210.7371 17822.4433 0.0000 0.0000 34004.0250 -149508.6839 296.9656 -183512.7089 -149409.3630 298.5322 -41.4268 -8.2760 557364.6361 -11.5510 -11.4621 PRESSURE: 1793800 182.839 -12.6494 -75.6903 -12.6497 -167.53 66.5838 -75.6891 66.5842 -291.606 GPRESSURE: 1793800 200.921 125.93 -75.0435 -116.125 -117.284 -2.2923 -95.282 51.4366 -272.534 PRESSAVG: 1793800 -48.8022 12.5144 -36.4586 12.5144 37.7539 -12.2172 -36.4586 -12.2172 15.0696 GPRESSAVG: 1793800 -47.6068 12.1996 -38.9598 11.1593 38.0209 -12.6799 -35.733 -12.7843 13.8768 TIMING: 1793800 CPU: 5200.69, 0.00291444/step Wall: 5200.69, 0.00291444/step, 2.59564 hours remaining, 209.406250 MB of memory in use. ENERGY: 1793800 757.3137 2096.3498 1933.2613 115.3658 -205945.3242 17594.8241 0.0000 0.0000 33997.2398 -149450.9696 296.9064 -183448.2094 -149353.0149 298.1209 -92.0989 -62.9659 557093.1765 1.3404 1.4303 PRESSURE: 1794000 192.423 -51.8052 107.564 -51.8045 -190.106 -179.428 107.563 -179.429 249.535 GPRESSURE: 1794000 177.085 -84.5479 131.319 -139.098 -112.151 -99.8396 108.462 -171.158 272.214 PRESSAVG: 1794000 -4.65631 -39.0486 26.8204 -39.0485 54.9991 -15.3327 26.8202 -15.3327 -16.4389 GPRESSAVG: 1794000 -3.08673 -39.1884 28.9212 -39.0285 52.2983 -17.534 25.1313 -14.365 -15.3282 TIMING: 1794000 CPU: 5201.27, 0.00288972/step Wall: 5201.27, 0.00288972/step, 2.57346 hours remaining, 209.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1794000 727.5863 2102.7282 1949.0344 120.8587 -206366.1146 17934.4641 0.0000 0.0000 34210.9107 -149320.5321 298.7724 -183531.4429 -149232.5467 298.4021 83.9504 112.3826 557475.3639 11.3013 11.2944 PRESSURE: 1794200 -164.315 -68.3578 44.6737 -68.3577 -107.834 -10.12 44.6734 -10.1207 -67.4639 GPRESSURE: 1794200 -173.982 -58.9379 66.4545 -16.0046 -59.9353 -36.669 32.2692 13.6253 -13.5622 PRESSAVG: 1794200 -17.0802 -55.6096 2.0408 -55.6094 -3.91291 6.17405 2.041 6.17411 -5.21213 GPRESSAVG: 1794200 -18.804 -57.0586 1.2286 -53.6525 -3.45801 7.26548 1.0074 7.12644 -3.95862 TIMING: 1794200 CPU: 5201.85, 0.00288959/step Wall: 5201.85, 0.00288959/step, 2.57318 hours remaining, 209.406250 MB of memory in use. ENERGY: 1794200 772.7611 2100.8553 1945.3039 107.8422 -206238.9205 17700.2747 0.0000 0.0000 34194.3767 -149417.5066 298.6280 -183611.8833 -149323.0808 299.1626 -113.2041 -82.4933 556746.1159 -8.7351 -8.7402 PRESSURE: 1794400 9.06589 149.443 1.59391 149.444 94.7755 -45.3002 1.595 -45.3019 -146.652 GPRESSURE: 1794400 30.002 124.826 -12.8956 169.326 133.682 -115.625 -102.357 28.9291 -101.957 PRESSAVG: 1794400 -35.5778 32.8403 35.1188 32.8403 46.5345 -6.93962 35.1189 -6.93958 -15.4652 GPRESSAVG: 1794400 -33.7887 34.0879 33.8128 30.5626 45.6085 -6.24903 36.0923 -7.6884 -16.9544 TIMING: 1794400 CPU: 5202.43, 0.00289469/step Wall: 5202.43, 0.00289469/step, 2.57756 hours remaining, 209.406250 MB of memory in use. ENERGY: 1794400 779.5041 2093.4420 1961.6633 108.6455 -206451.1624 17940.5389 0.0000 0.0000 34217.7692 -149349.5994 298.8323 -183567.3686 -149252.1925 299.0987 -14.2703 20.5759 555757.2591 -1.5028 -1.7116 PRESSURE: 1794600 -101.032 31.2209 33.0499 31.2219 -27.91 215.324 33.0495 215.325 -28.2444 GPRESSURE: 1794600 -82.239 15.5975 92.6056 138.533 35.6892 186.414 99.0228 202.498 -15.68 PRESSAVG: 1794600 28.0208 -42.8534 14.6592 -42.8535 17.9115 31.9252 14.6592 31.9251 -19.8957 GPRESSAVG: 1794600 25.8318 -44.4469 14.7982 -40.459 19.1848 31.7199 16.2503 31.1682 -19.4477 TIMING: 1794600 CPU: 5203, 0.00288472/step Wall: 5203, 0.00288472/step, 2.56852 hours remaining, 209.406250 MB of memory in use. ENERGY: 1794600 775.3110 2090.3538 1952.1104 108.4480 -206542.9445 17951.3469 0.0000 0.0000 34363.6608 -149301.7135 300.1064 -183665.3744 -149203.7191 298.5928 -52.3955 -20.7432 558210.5717 8.6789 8.5230 PRESSURE: 1794800 -216.374 -13.4576 -4.40523 -13.4587 55.856 12.3549 -4.40662 12.3563 -90.2957 GPRESSURE: 1794800 -169.6 -106.607 -31.9408 63.2695 69.8729 90.3877 25.6025 -0.538051 -55.2663 PRESSAVG: 1794800 -93.0486 -22.0314 -23.7694 -22.0313 21.835 45.5538 -23.7694 45.5537 74.208 GPRESSAVG: 1794800 -92.3877 -19.8243 -23.051 -24.9609 22.413 46.2087 -24.3733 45.3189 73.7331 TIMING: 1794800 CPU: 5203.59, 0.00290523/step Wall: 5203.59, 0.00290523/step, 2.58663 hours remaining, 209.406250 MB of memory in use. ENERGY: 1794800 764.2563 2079.3204 1962.9030 111.0994 -206350.8142 17835.1294 0.0000 0.0000 34065.5360 -149532.5697 297.5028 -183598.1057 -149436.5340 298.7757 -83.6046 -51.6645 558040.6628 0.9981 1.2528 PRESSURE: 1795000 -361.351 -101.094 -122.71 -101.094 -149.833 -33.0365 -122.71 -33.0371 -14.576 GPRESSURE: 1795000 -271.973 -80.624 -117.097 -135.411 -124.678 -34.4038 -135.2 -122.599 -34.2095 PRESSAVG: 1795000 -42.135 -20.335 6.57672 -20.3349 21.1741 -35.3125 6.57667 -35.3125 39.5706 GPRESSAVG: 1795000 -43.1017 -20.6801 7.05583 -18.6428 20.2114 -35.1335 3.79407 -35.4719 41.2668 TIMING: 1795000 CPU: 5204.16, 0.00289586/step Wall: 5204.16, 0.00289586/step, 2.57812 hours remaining, 209.406250 MB of memory in use. ENERGY: 1795000 752.1741 2145.8859 1956.8821 107.4363 -206448.2784 17778.6119 0.0000 0.0000 34186.1009 -149521.1871 298.5557 -183707.2881 -149428.4461 298.9077 -175.2534 -143.6201 558779.3062 6.2032 6.1255 PRESSURE: 1795200 -133.911 -61.0309 40.9726 -61.0302 -74.7744 -80.7694 40.9723 -80.7678 -258.855 GPRESSURE: 1795200 -109.024 -30.722 34.1704 -103.352 -55.0978 28.3458 27.7336 -159.961 -221.433 PRESSAVG: 1795200 -35.5746 -36.5782 37.6096 -36.5782 0.538178 -45.205 37.6097 -45.2049 27.9403 GPRESSAVG: 1795200 -34.5264 -35.3898 38.7251 -36.9535 0.40614 -45.3732 37.6023 -43.1415 27.5704 TIMING: 1795200 CPU: 5204.75, 0.0029317/step Wall: 5204.75, 0.0029317/step, 2.60986 hours remaining, 209.406250 MB of memory in use. ENERGY: 1795200 765.0458 2066.9447 1966.7768 101.6566 -206099.5078 17661.9892 0.0000 0.0000 34359.4091 -149177.6856 300.0693 -183537.0947 -149075.4033 298.8063 -155.8468 -128.5181 558179.1084 -2.3653 -2.1833 PRESSURE: 1795400 -114.037 91.4973 97.3286 91.4972 7.13592 -135.042 97.3306 -135.042 136.5 GPRESSURE: 1795400 -119.672 67.4164 100.72 95.0632 51.2118 -114.314 153.029 -153.675 199.007 PRESSAVG: 1795400 12.9251 -7.36797 -52.1973 -7.36807 -36.3177 -79.5443 -52.1973 -79.5444 13.6745 GPRESSAVG: 1795400 11.4248 -9.69159 -52.8181 -7.03479 -35.3204 -79.5797 -52.5687 -81.177 13.9005 TIMING: 1795400 CPU: 5205.33, 0.00289203/step Wall: 5205.33, 0.00289203/step, 2.57439 hours remaining, 209.660156 MB of memory in use. ENERGY: 1795400 775.0051 2072.9019 1963.1114 116.3639 -206213.7972 17867.4401 0.0000 0.0000 34180.3648 -149238.6099 298.5056 -183418.9747 -149141.4702 299.8706 9.8664 43.5159 557045.4359 -3.2394 -3.3317 PRESSURE: 1795600 -61.6056 6.63901 8.13774 6.64064 -163.722 185.919 8.13706 185.919 150.808 GPRESSURE: 1795600 -15.6283 11.161 4.58402 11.4432 -186.463 173.794 -1.77456 162.4 215.977 PRESSAVG: 1795600 -41.2564 -31.4001 -36.9537 -31.4002 -42.6083 -12.5829 -36.9536 -12.5829 77.885 GPRESSAVG: 1795600 -41.1901 -31.231 -37.8902 -30.5512 -42.6239 -12.2074 -34.7864 -11.949 77.6949 TIMING: 1795600 CPU: 5205.91, 0.00288435/step Wall: 5205.91, 0.00288435/step, 2.56739 hours remaining, 209.660156 MB of memory in use. ENERGY: 1795600 771.4102 2129.0029 1957.3579 105.7652 -206144.4651 17866.4181 0.0000 0.0000 34276.1538 -149038.3570 299.3422 -183314.5107 -148942.6383 300.0661 -24.8400 4.6287 558010.1998 -1.9932 -2.0397 PRESSURE: 1795800 -252.245 95.7448 -129.091 95.7432 -144.832 6.07431 -129.091 6.07364 61.3103 GPRESSURE: 1795800 -201.549 64.5102 -1.22701 96.9227 -123.334 -32.0097 -147.998 -95.2836 93.6425 PRESSAVG: 1795800 39.9269 43.7747 -22.1829 43.7747 -102.074 10.9747 -22.1828 10.9748 55.662 GPRESSAVG: 1795800 41.4113 45.7716 -22.8595 42.4599 -103.028 12.0928 -21.905 9.38729 55.4211 TIMING: 1795800 CPU: 5206.48, 0.0028942/step Wall: 5206.48, 0.0028942/step, 2.576 hours remaining, 209.660156 MB of memory in use. ENERGY: 1795800 744.5056 2145.9330 1970.7637 106.3428 -205784.3622 17582.8396 0.0000 0.0000 34239.9237 -148994.0538 299.0258 -183233.9775 -148892.7617 299.7909 -111.9220 -77.0803 556898.6233 -2.1616 -2.0653 PRESSURE: 1796000 -192.009 64.1449 171.359 64.1449 -168.148 80.8261 171.36 80.8253 0.669195 GPRESSURE: 1796000 -183.081 24.0402 219.86 49.8999 -95.0778 44.6546 114.212 121.96 6.78851 PRESSAVG: 1796000 16.2108 -24.7577 11.6126 -24.7577 -63.3291 -14.8328 11.6126 -14.8329 54.0915 GPRESSAVG: 1796000 15.2105 -25.7896 11.3208 -23.4617 -62.2798 -15.5066 10.0765 -14.3843 53.9937 TIMING: 1796000 CPU: 5207.06, 0.0028765/step Wall: 5207.06, 0.0028765/step, 2.56008 hours remaining, 209.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1796000 757.6415 2064.1365 1964.8819 116.6756 -205993.8843 17702.1397 0.0000 0.0000 34370.0335 -149018.3755 300.1621 -183388.4091 -148920.8977 299.6529 -119.8291 -90.4569 557587.9710 2.3244 2.3081 PRESSURE: 1796200 -18.6133 -73.8197 86.9147 -73.8193 154.679 6.44968 86.914 6.44885 -123.823 GPRESSURE: 1796200 -14.601 -79.0169 12.214 -44.7378 170.683 -86.5461 127.596 42.945 -30.7002 PRESSAVG: 1796200 -9.32253 19.0714 34.8105 19.0715 42.4503 -42.4458 34.8106 -42.4458 -10.6021 GPRESSAVG: 1796200 -9.54187 19.3972 35.6305 17.4188 42.2115 -43.1813 35.1363 -41.0631 -9.90246 TIMING: 1796200 CPU: 5207.64, 0.0029028/step Wall: 5207.64, 0.0029028/step, 2.58333 hours remaining, 209.660156 MB of memory in use. ENERGY: 1796200 732.3586 2041.8137 1942.0876 106.4342 -206123.8841 17751.8081 0.0000 0.0000 34425.8665 -149123.5154 300.6497 -183549.3819 -149025.2784 299.7441 4.0810 41.7939 557520.6418 7.5085 7.5890 LDB: ============= START OF LOAD BALANCING ============== 5211.03 LDB: ============== END OF LOAD BALANCING =============== 5211.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5211.03 LDB: ============= START OF LOAD BALANCING ============== 5211.32 LDB: Largest compute 4820 load 0.024867 is 21.1% of average load 0.117917 LDB: Average compute 0.001717 is 1.5% of average load 0.117917 LDB: TIME 5211.32 LOAD: AVG 0.117917 MAX 0.179127 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 5211.33 LOAD: AVG 0.117917 MAX 0.179127 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.152 MB LDB: TIME 5211.33 LOAD: AVG 0.117917 MAX 0.179127 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5211.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5211.33 PRESSURE: 1796400 63.1356 125.886 167.927 125.886 -177.71 53.407 167.928 53.4065 -150.044 GPRESSURE: 1796400 96.5611 88.1574 228.191 96.285 -200.736 116.777 141.542 7.72125 -69.2803 PRESSAVG: 1796400 77.0483 1.09325 21.7176 1.09323 15.0769 -22.9319 21.7176 -22.9319 -63.7195 GPRESSAVG: 1796400 77.0786 0.380421 22.4032 0.672489 15.7065 -21.0399 19.9287 -23.6845 -64.9951 TIMING: 1796400 CPU: 5208.24, 0.00297279/step Wall: 5208.24, 0.00297279/step, 2.64546 hours remaining, 208.871094 MB of memory in use. ENERGY: 1796400 759.5672 2115.7209 1964.1932 107.6322 -205714.9457 17627.0730 0.0000 0.0000 34099.1200 -149041.6392 297.7961 -183140.7592 -148943.0051 299.5012 -88.2061 -57.8183 558694.7944 9.4686 9.2633 PRESSURE: 1796600 -226.526 -2.17885 -1.50315 -2.17835 -209.475 -1.0604 -1.50196 -1.05887 -142.15 GPRESSURE: 1796600 -171.003 -99.697 45.7493 45.5035 -151.734 -22.3275 89.5217 32.3276 -154.473 PRESSAVG: 1796600 35.6123 -3.42636 -26.5358 -3.42629 -25.0081 14.036 -26.5359 14.0363 -42.3091 GPRESSAVG: 1796600 35.9722 -4.19933 -29.2859 -1.83165 -23.8914 13.1032 -23.4289 15.4483 -43.0377 TIMING: 1796600 CPU: 5208.81, 0.00287408/step Wall: 5208.81, 0.00287408/step, 2.55745 hours remaining, 208.871094 MB of memory in use. ENERGY: 1796600 742.3619 2089.4044 1917.7727 110.0323 -205563.5261 17480.0368 0.0000 0.0000 34141.6065 -149082.3115 298.1671 -183223.9180 -148988.7748 299.6223 -192.7171 -159.0699 558018.8396 -10.5683 -10.3189 PRESSURE: 1796800 -203.067 75.2026 41.9807 75.203 8.43824 34.1608 41.982 34.1596 54.9259 GPRESSURE: 1796800 -172.352 101.019 50.8493 127.339 60.1712 -85.0774 -15.9828 25.0552 70.3253 PRESSAVG: 1796800 5.01226 6.24464 70.8127 6.2446 17.8399 -19.863 70.8128 -19.8629 -12.6615 GPRESSAVG: 1796800 5.8869 7.6643 74.3261 6.13764 16.1591 -19.9752 68.1691 -20.033 -12.6061 TIMING: 1796800 CPU: 5209.39, 0.00288538/step Wall: 5209.39, 0.00288538/step, 2.56734 hours remaining, 208.871094 MB of memory in use. ENERGY: 1796800 736.8311 2109.5854 1947.6846 112.8964 -205846.4567 17668.8880 0.0000 0.0000 34251.2075 -149019.3637 299.1243 -183270.5712 -148926.4695 299.6264 -46.5677 -13.9518 557535.0617 3.3969 3.1466 PRESSURE: 1797000 -145.38 29.5124 -53.0935 29.5121 20.4196 -142.691 -53.0927 -142.691 113.675 GPRESSURE: 1797000 -59.8847 4.83546 -161.821 101.679 48.8835 -140.714 -17.6037 -63.9129 90.3668 PRESSAVG: 1797000 -17.3568 41.0489 -14.7975 41.049 -3.54406 -57.1682 -14.7975 -57.1682 19.6623 GPRESSAVG: 1797000 -18.18 41.9891 -16.9876 39.0581 -2.63813 -56.2614 -12.5791 -56.5744 19.7007 TIMING: 1797000 CPU: 5209.96, 0.00287296/step Wall: 5209.96, 0.00287296/step, 2.55614 hours remaining, 208.871094 MB of memory in use. ENERGY: 1797000 757.8810 2105.4605 1929.0789 97.6784 -205778.0064 17718.6178 0.0000 0.0000 34204.0113 -148965.2786 298.7121 -183169.2899 -148871.3693 299.7741 -3.7620 26.4552 557676.5936 -0.4129 -0.3725 PRESSURE: 1797200 -184.808 20.2099 -94.6612 20.2086 -71.6748 37.1592 -94.6617 37.1598 -317.456 GPRESSURE: 1797200 -144.539 25.9184 -107.137 57.8883 -33.6287 43.943 -112.111 38.9545 -303.558 PRESSAVG: 1797200 -36.8331 -15.2976 -2.04315 -15.2975 42.157 -57.0211 -2.04316 -57.0212 -14.2176 GPRESSAVG: 1797200 -36.8799 -17.8279 -0.941165 -12.8653 42.2864 -59.3371 -4.12316 -57.8294 -14.4224 TIMING: 1797200 CPU: 5210.54, 0.00289847/step Wall: 5210.54, 0.00289847/step, 2.57867 hours remaining, 208.871094 MB of memory in use. ENERGY: 1797200 772.2624 2080.3202 1956.4642 119.5540 -206245.4521 17659.2374 0.0000 0.0000 34442.1788 -149215.4350 300.7921 -183657.6138 -149115.5771 299.6719 -191.3130 -160.5751 557457.0565 -2.9645 -3.0053 PRESSURE: 1797400 -314.042 106.21 189.244 106.211 -67.9838 210.336 189.243 210.337 -91.1755 GPRESSURE: 1797400 -264.064 -3.21311 230.676 169.697 -34.6215 262.196 161.764 141.446 -73.5544 PRESSAVG: 1797400 -36.1902 52.4996 57.3091 52.4995 11.0767 21.4533 57.3091 21.4532 6.05357 GPRESSAVG: 1797400 -35.6637 55.2102 56.2777 50.8996 10.1404 24.6545 58.1392 21.0105 6.71932 TIMING: 1797400 CPU: 5211.12, 0.00291582/step Wall: 5211.12, 0.00291582/step, 2.59394 hours remaining, 208.871094 MB of memory in use. ENERGY: 1797400 738.6762 2084.1923 1965.3586 118.0796 -205862.6401 17607.7011 0.0000 0.0000 34096.4635 -149252.1688 297.7729 -183348.6323 -149156.9236 299.1247 -157.7338 -124.0800 558454.6155 -6.3533 -6.2680 PRESSURE: 1797600 3.49862 -2.9824 103.742 -2.98247 -208.169 132.741 103.741 132.742 -124.033 GPRESSURE: 1797600 66.5862 7.25645 170.919 -8.25932 -170.876 143.408 199.527 129.444 -110.96 PRESSAVG: 1797600 -8.0397 -48.2035 61.0887 -48.2036 -29.7389 15.1936 61.0887 15.1938 9.7622 GPRESSAVG: 1797600 -7.32599 -49.6712 61.3377 -49.0745 -29.6891 12.6631 60.9021 16.417 8.75719 TIMING: 1797600 CPU: 5211.7, 0.00289826/step Wall: 5211.7, 0.00289826/step, 2.57817 hours remaining, 208.871094 MB of memory in use. ENERGY: 1797600 727.2055 2090.0544 1981.6490 110.1649 -205866.6672 17651.9459 0.0000 0.0000 34196.1951 -149109.4524 298.6439 -183305.6475 -149011.7844 299.2508 -109.5679 -71.7500 557826.5463 -9.3388 -9.4193 PRESSURE: 1797800 -4.33993 -62.7538 128.314 -62.7527 -201.728 44.7488 128.314 44.7471 -111.448 GPRESSURE: 1797800 35.532 -83.1419 142.782 -78.6348 -153.155 30.5353 183.382 -15.6603 -107.31 PRESSAVG: 1797800 70.1439 -26.6435 15.5513 -26.6435 -2.05538 30.8201 15.5513 30.8201 -41.121 GPRESSAVG: 1797800 69.0624 -27.6654 15.8333 -24.4412 -3.09923 31.905 15.845 28.9873 -39.3032 TIMING: 1797800 CPU: 5212.28, 0.00289055/step Wall: 5212.28, 0.00289055/step, 2.57114 hours remaining, 208.871094 MB of memory in use. ENERGY: 1797800 749.8700 2028.1679 1957.3845 107.3420 -206163.4004 17744.7009 0.0000 0.0000 34297.5004 -149278.4347 299.5286 -183575.9351 -149175.8616 299.3735 -105.8388 -74.9779 555505.9075 8.9891 8.8866 PRESSURE: 1798000 158.979 251.234 88.1531 251.234 38.9499 -100.389 88.1526 -100.391 90.8717 GPRESSURE: 1798000 135.111 192.74 61.7395 191.417 97.1743 -63.8839 77.5369 -96.951 150.389 PRESSAVG: 1798000 52.2449 60.1335 17.31 60.1334 -0.683606 20.5162 17.31 20.5163 3.99887 GPRESSAVG: 1798000 51.8449 62.1444 16.1749 58.2241 0.232337 21.1598 20.0357 20.6845 3.38709 TIMING: 1798000 CPU: 5212.86, 0.00290673/step Wall: 5212.86, 0.00290673/step, 2.58537 hours remaining, 209.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1798000 724.6608 2075.9992 1965.4438 126.3665 -206351.8994 17949.0050 0.0000 0.0000 34276.7342 -149233.6899 299.3472 -183510.4241 -149141.4259 299.1095 96.2670 127.5580 556567.9666 18.5201 18.4881 PRESSURE: 1798200 -424.428 8.46573 -47.8429 8.46511 -381.675 264.491 -47.8431 264.491 -187.866 GPRESSURE: 1798200 -393.709 60.5029 3.11775 -155.949 -313.175 225.481 -31.6464 157.761 -197.029 PRESSAVG: 1798200 -30.1691 20.6315 -49.7491 20.6314 17.5229 23.7762 -49.7491 23.7762 24.4739 GPRESSAVG: 1798200 -29.3365 19.2791 -47.1384 24.1614 17.0781 23.0693 -51.3165 26.1575 23.7487 TIMING: 1798200 CPU: 5213.44, 0.00289214/step Wall: 5213.44, 0.00289214/step, 2.57224 hours remaining, 209.167969 MB of memory in use. ENERGY: 1798200 742.8525 2044.6888 1959.6918 119.1416 -205811.0961 17371.3666 0.0000 0.0000 34325.2615 -149248.0930 299.7710 -183573.3546 -149147.1899 299.6147 -331.3230 -301.3044 557206.4301 3.9426 3.8301 PRESSURE: 1798400 -37.928 92.4714 91.965 92.4717 -66.438 320.977 91.9645 320.977 -266.04 GPRESSURE: 1798400 -19.5958 17.4144 114.606 96.1255 0.193137 411.37 111.399 253.158 -251.825 PRESSAVG: 1798400 52.6056 -56.2854 41.9782 -56.2855 -1.68583 19.1025 41.9783 19.1024 -3.54919 GPRESSAVG: 1798400 52.7275 -54.3243 39.3195 -57.6473 -2.29001 18.8387 42.2198 18.7575 -3.36225 TIMING: 1798400 CPU: 5214.02, 0.00287111/step Wall: 5214.02, 0.00287111/step, 2.55337 hours remaining, 209.167969 MB of memory in use. ENERGY: 1798400 702.5411 2072.3754 1943.7568 113.8633 -205834.3755 17472.1729 0.0000 0.0000 34354.4706 -149175.1954 300.0261 -183529.6661 -149074.6933 299.6217 -123.4687 -90.4092 558149.2246 15.7902 15.6917 PRESSURE: 1798600 -129.062 88.9161 130.684 88.9157 -154.114 67.4335 130.684 67.434 -103.196 GPRESSURE: 1798600 -24.2394 131.914 122.755 -34.5111 -134.69 45.2204 105.21 161.361 -124.408 PRESSAVG: 1798600 -31.2046 -36.3325 14.9945 -36.3325 20.9213 -2.21306 14.9946 -2.21307 33.4137 GPRESSAVG: 1798600 -31.3346 -36.181 16.5416 -39.0621 22.2298 -1.62409 13.9646 -3.80278 31.6845 TIMING: 1798600 CPU: 5214.59, 0.00288341/step Wall: 5214.59, 0.00288341/step, 2.56415 hours remaining, 209.167969 MB of memory in use. ENERGY: 1798600 705.7003 2054.1726 1947.3470 98.5314 -206042.8153 17628.6415 0.0000 0.0000 34352.3479 -149256.0745 300.0076 -183608.4224 -149157.7810 298.9937 -128.7909 -94.4459 557632.9365 7.7101 7.5266 PRESSURE: 1798800 295.732 26.137 -24.1948 26.1369 -202.245 94.3383 -24.194 94.3392 154.011 GPRESSURE: 1798800 272.785 12.0203 57.4457 107.76 -164.68 55.4477 -111.79 96.5041 243.582 PRESSAVG: 1798800 -28.4712 -19.7142 41.5713 -19.7141 -63.0776 -38.9423 41.5712 -38.9424 81.9642 GPRESSAVG: 1798800 -29.7006 -21.8545 42.43 -15.8009 -63.5177 -40.181 41.2344 -38.0856 83.7917 TIMING: 1798800 CPU: 5215.18, 0.00292058/step Wall: 5215.18, 0.00292058/step, 2.59705 hours remaining, 209.167969 MB of memory in use. ENERGY: 1798800 685.5342 2119.9973 1933.5650 102.8250 -205913.5497 17835.5921 0.0000 0.0000 34097.0070 -149139.0292 297.7776 -183236.0361 -149054.3125 299.2364 82.4993 117.2286 557773.1232 -3.1949 -3.1422 PRESSURE: 1799000 72.7874 -81.2746 -87.6421 -81.2742 -211.166 44.2073 -87.6428 44.2066 -42.0869 GPRESSURE: 1799000 133.53 -63.5524 -81.6881 -98.6382 -188.501 83.6829 -31.9697 40.6378 -30.3534 PRESSAVG: 1799000 26.0057 -22.9766 -18.1494 -22.9767 -69.7803 29.1043 -18.1496 29.1042 66.4628 GPRESSAVG: 1799000 26.5014 -21.651 -19.4396 -25.2431 -71.1458 30.7376 -16.451 29.1429 66.8273 TIMING: 1799000 CPU: 5215.76, 0.00290737/step Wall: 5215.76, 0.00290737/step, 2.58514 hours remaining, 209.167969 MB of memory in use. ENERGY: 1799000 741.1784 2099.7514 1945.6121 123.3337 -205745.6514 17531.8342 0.0000 0.0000 34172.9025 -149131.0391 298.4405 -183303.9416 -149035.1561 299.1945 -60.1551 -28.4416 557344.0154 7.5627 7.3943 PRESSURE: 1799200 -64.4801 -95.8233 -70.644 -95.824 32.4969 131.339 -70.6435 131.337 117.516 GPRESSURE: 1799200 -72.1117 -16.5175 -118.944 -137.148 110.451 214.085 -51.0485 35.7886 144.505 PRESSAVG: 1799200 23.4213 -30.4444 70.6778 -30.4444 -1.33929 -21.3763 70.6778 -21.3762 -12.0768 GPRESSAVG: 1799200 23.9733 -31.4487 69.978 -29.3151 -1.0898 -20.9183 70.4406 -22.7902 -12.8789 TIMING: 1799200 CPU: 5216.34, 0.00289417/step Wall: 5216.34, 0.00289417/step, 2.57323 hours remaining, 209.167969 MB of memory in use. ENERGY: 1799200 732.0546 2047.7003 1935.2515 116.1902 -206188.1164 17741.1595 0.0000 0.0000 34411.8733 -149203.8870 300.5274 -183615.7603 -149107.9431 299.1462 28.5108 60.9482 556269.4224 3.3351 3.3349 PRESSURE: 1799400 -137.541 24.2457 66.227 24.2448 -109.427 5.16749 66.2261 5.16689 -249.937 GPRESSURE: 1799400 -152.242 70.2565 184.754 -93.6922 -65.9633 -40.2336 57.4604 27.7512 -187.765 PRESSAVG: 1799400 5.86632 21.9854 -38.8158 21.9855 -5.81645 47.7357 -38.8158 47.7358 14.2397 GPRESSAVG: 1799400 4.96938 24.7756 -38.4809 17.7509 -4.88401 46.5823 -38.7056 47.2691 14.5923 TIMING: 1799400 CPU: 5216.92, 0.00291021/step Wall: 5216.92, 0.00291021/step, 2.58734 hours remaining, 209.167969 MB of memory in use. ENERGY: 1799400 731.8257 2046.2003 1928.2008 119.4827 -206191.1882 17760.8789 0.0000 0.0000 34559.9861 -149044.6137 301.8210 -183604.5998 -148955.5311 299.5698 -165.6351 -135.3235 557602.3567 4.7632 4.8925 PRESSURE: 1799600 178.767 71.5085 -32.2769 71.508 -83.4799 41.2118 -32.279 41.211 154.03 GPRESSURE: 1799600 216.366 69.5392 -82.3682 -11.575 -51.4324 -37.1017 -20.7432 78.2092 184.234 PRESSAVG: 1799600 5.76964 4.2166 -62.1079 4.21664 36.1686 3.15753 -62.1078 3.15741 -25.9822 GPRESSAVG: 1799600 7.28306 1.47768 -59.1407 8.67341 34.1206 2.31809 -64.6169 3.77858 -25.4183 TIMING: 1799600 CPU: 5217.5, 0.00288582/step Wall: 5217.5, 0.00288582/step, 2.56549 hours remaining, 209.167969 MB of memory in use. ENERGY: 1799600 740.3581 2045.8982 1948.8005 121.5861 -206246.4308 17815.8833 0.0000 0.0000 34445.9913 -149127.9133 300.8254 -183573.9046 -149036.9313 299.9703 83.1059 116.3890 557307.7946 5.3187 5.3285 PRESSURE: 1799800 114.52 119.1 -167.228 119.099 242.478 175.854 -167.228 175.853 205.317 GPRESSURE: 1799800 203.021 216.112 -175.209 62.271 267.457 186.853 -220.264 154.158 201.115 PRESSAVG: 1799800 -0.240134 17.044 -58.0486 17.0441 -17.254 -16.7442 -58.0486 -16.7442 6.34741 GPRESSAVG: 1799800 -0.390651 18.9823 -60.4882 14.2555 -17.3817 -17.3357 -58.058 -15.8438 6.6298 TIMING: 1799800 CPU: 5218.07, 0.00288265/step Wall: 5218.07, 0.00288265/step, 2.56251 hours remaining, 209.167969 MB of memory in use. ENERGY: 1799800 702.9916 2026.2523 1968.5675 121.8124 -206333.0951 17979.6516 0.0000 0.0000 34411.2533 -149122.5664 300.5220 -183533.8198 -149028.8231 300.3454 187.4384 223.8640 555360.7153 -3.7156 -3.7142 PRESSURE: 1800000 -101.384 -49.8415 23.1018 -49.8406 -106.849 -13.9069 23.1022 -13.9067 311.664 GPRESSURE: 1800000 -75.16 -38.1376 65.941 54.2697 -46.0831 -93.195 -49.8611 -66.387 322.169 PRESSAVG: 1800000 -0.539342 4.37088 -27.873 4.37097 -8.37905 -13.4389 -27.873 -13.439 14.3277 GPRESSAVG: 1800000 -1.96199 2.28453 -25.8799 5.99989 -7.53904 -14.4707 -27.2086 -13.0935 14.2258 TIMING: 1800000 CPU: 5218.65, 0.00288713/step Wall: 5218.65, 0.00288713/step, 2.56634 hours remaining, 209.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1800000 746.4292 2089.3642 1919.9173 100.3239 -206118.8909 17675.5204 0.0000 0.0000 34536.2970 -149051.0389 301.6141 -183587.3358 -148956.5461 300.1849 34.4768 66.9754 556697.6670 1.8031 1.5749 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800200 -10.774 165.942 9.85157 165.941 125.98 -18.9006 9.85138 -18.902 73.1928 GPRESSURE: 1800200 7.87297 126.962 44.1614 213.137 129.986 -37.6701 63.1806 -32.8859 152.682 PRESSAVG: 1800200 -17.1385 -96.9549 -14.4153 -96.9549 12.087 -8.71171 -14.4153 -8.71173 -37.8222 GPRESSAVG: 1800200 -17.2215 -96.0719 -15.3023 -96.8894 11.2023 -8.79987 -13.2677 -9.00058 -37.6469 TIMING: 1800200 CPU: 5219.24, 0.00295516/step Wall: 5219.24, 0.00295516/step, 2.62665 hours remaining, 209.167969 MB of memory in use. ENERGY: 1800200 772.7593 2037.6428 1952.8465 111.3673 -206291.6358 17999.4160 0.0000 0.0000 34352.2533 -149065.3505 300.0068 -183417.6038 -148970.7991 299.2864 62.7996 96.8469 559796.7375 -14.2913 -14.5554 LDB: ============= START OF LOAD BALANCING ============== 5222.63 LDB: ============== END OF LOAD BALANCING =============== 5222.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5222.63 LDB: ============= START OF LOAD BALANCING ============== 5222.91 LDB: Largest compute 4820 load 0.026117 is 22.1% of average load 0.117980 LDB: Average compute 0.001719 is 1.5% of average load 0.117980 LDB: TIME 5222.92 LOAD: AVG 0.11798 MAX 0.18041 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.312 MB LDB: TIME 5222.92 LOAD: AVG 0.11798 MAX 0.18041 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.355 MB LDB: TIME 5222.92 LOAD: AVG 0.11798 MAX 0.18041 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5222.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5222.92 PRESSURE: 1800400 -30.7158 -51.1627 -25.9852 -51.164 -69.4545 26.0202 -25.9841 26.0199 -294.827 GPRESSURE: 1800400 -71.1892 -88.0565 -58.829 -1.87741 46.6096 -39.137 56.3665 66.927 -267.176 PRESSAVG: 1800400 28.5596 -51.8939 3.38505 -51.8939 6.7484 63.4361 3.38511 63.4362 -51.4169 GPRESSAVG: 1800400 28.3807 -50.6955 3.33463 -52.577 7.53285 65.5444 1.53594 63.3178 -52.3097 TIMING: 1800400 CPU: 5219.83, 0.00293025/step Wall: 5219.83, 0.00293025/step, 2.60434 hours remaining, 207.828125 MB of memory in use. ENERGY: 1800400 759.7553 2116.9679 1970.1701 108.5238 -206305.5035 17776.0518 0.0000 0.0000 34435.9475 -149138.0871 300.7377 -183574.0346 -149034.0897 300.1831 -131.6657 -97.2518 557262.8440 -5.3696 -5.4654 PRESSURE: 1800600 83.0951 194.722 -79.1821 194.722 -225.385 99.4499 -79.1822 99.451 26.3789 GPRESSURE: 1800600 85.8062 220.281 -68.6485 215.897 -237.546 91.8987 -150.183 82.1542 133.638 PRESSAVG: 1800600 11.0522 11.304 -25.7927 11.304 -49.9055 69.8252 -25.7927 69.8253 28.0442 GPRESSAVG: 1800600 13.0695 10.5778 -26.5708 10.9339 -51.7473 71.2738 -25.0014 68.3266 28.5857 TIMING: 1800600 CPU: 5220.4, 0.00288204/step Wall: 5220.4, 0.00288204/step, 2.56134 hours remaining, 208.031250 MB of memory in use. ENERGY: 1800600 736.4961 2082.5863 1950.4124 103.2446 -205717.8046 17645.0550 0.0000 0.0000 34256.8287 -148943.1817 299.1734 -183200.0103 -148855.9225 299.8970 -38.6371 -6.0337 558309.6780 -3.6030 -3.3640 PRESSURE: 1800800 -40.0703 -105.841 -19.5894 -105.841 79.6151 -100.783 -19.5888 -100.782 65.7096 GPRESSURE: 1800800 -47.5265 -116.607 -31.0986 -23.9169 95.9301 -84.789 -25.1012 -115.277 146.476 PRESSAVG: 1800800 -28.2743 38.1582 12.4362 38.1581 -54.5597 -16.7413 12.4362 -16.7414 75.9929 GPRESSAVG: 1800800 -29.8005 37.3117 13.778 37.2083 -54.3761 -18.1744 12.7176 -15.1819 76.9317 TIMING: 1800800 CPU: 5220.98, 0.00289747/step Wall: 5220.98, 0.00289747/step, 2.57488 hours remaining, 208.031250 MB of memory in use. ENERGY: 1800800 766.0342 2098.0768 1963.5566 101.4303 -206357.1783 17876.4163 0.0000 0.0000 34499.8023 -149051.8619 301.2954 -183551.6641 -148950.3488 299.7445 35.0848 64.9599 556593.1335 -2.2804 -2.4150 PRESSURE: 1801000 -82.5524 -169.6 114.703 -169.6 -161.885 -83.5094 114.702 -83.5091 -79.011 GPRESSURE: 1801000 -133.104 -270.831 48.0258 -115.636 -57.615 -110.193 99.1924 -20.4558 -26.818 PRESSAVG: 1801000 -65.7138 -21.4019 30.788 -21.4019 28.0016 -33.9649 30.788 -33.965 92.8218 GPRESSAVG: 1801000 -65.6421 -21.7637 32.355 -18.8804 28.682 -35.662 28.3677 -34.9046 91.9058 TIMING: 1801000 CPU: 5221.56, 0.00289472/step Wall: 5221.56, 0.00289472/step, 2.57228 hours remaining, 208.031250 MB of memory in use. ENERGY: 1801000 721.0074 2130.9929 1965.7025 120.2323 -205889.1880 17567.1744 0.0000 0.0000 34498.3940 -148885.6844 301.2831 -183384.0784 -148793.1923 299.5443 -107.8162 -72.5122 557757.5850 18.3699 18.3152 PRESSURE: 1801200 -176.912 -48.0388 6.11977 -48.0386 -108.681 159.416 6.11956 159.416 -82.4384 GPRESSURE: 1801200 -152.394 -50.5989 25.6676 41.039 -79.2653 230.878 1.75568 48.1037 -33.7502 PRESSAVG: 1801200 5.73113 -8.46256 -3.97258 -8.46253 -7.22609 6.51209 -3.97255 6.51211 26.8828 GPRESSAVG: 1801200 5.01727 -7.83767 -6.1976 -8.625 -7.56776 6.14139 -2.12156 7.14882 27.5446 TIMING: 1801200 CPU: 5222.14, 0.00289128/step Wall: 5222.14, 0.00289128/step, 2.56906 hours remaining, 208.031250 MB of memory in use. ENERGY: 1801200 762.5470 2042.3104 1944.6763 111.5623 -205756.5220 17642.1457 0.0000 0.0000 34354.8066 -148898.4737 300.0291 -183253.2803 -148797.5803 300.6116 -122.6771 -88.4697 557929.2311 8.4626 8.3314 PRESSURE: 1801400 135.397 62.0291 51.9232 62.0298 -10.3681 -54.3912 51.9231 -54.3898 -260.797 GPRESSURE: 1801400 177.783 90.2978 89.1449 -29.6014 -25.8058 -59.5543 61.2695 -18.7764 -198.361 PRESSAVG: 1801400 -1.9588 13.2994 45.9518 13.2994 -16.1989 16.6446 45.9517 16.6444 17.2122 GPRESSAVG: 1801400 -1.0629 15.7158 46.2702 10.2068 -16.7603 17.4548 45.0328 15.4177 16.9513 TIMING: 1801400 CPU: 5222.72, 0.00287862/step Wall: 5222.72, 0.00287862/step, 2.55765 hours remaining, 208.031250 MB of memory in use. ENERGY: 1801400 730.1902 2151.1045 1945.0323 121.5405 -205909.9016 17699.5208 0.0000 0.0000 34278.8672 -148983.6461 299.3659 -183262.5133 -148887.5462 299.5655 -45.2560 -15.4614 556573.9737 -0.3151 -0.2906 PRESSURE: 1801600 67.3233 105.87 45.2163 105.87 11.9101 105.473 45.2162 105.474 142.395 GPRESSURE: 1801600 136.054 99.4899 2.58257 75.7835 94.1891 121.383 62.4305 45.1643 91.033 PRESSAVG: 1801600 5.55933 29.1489 -48.4825 29.1489 66.2995 8.33245 -48.4826 8.33244 -88.382 GPRESSAVG: 1801600 5.67236 26.8567 -49.8931 31.436 66.7082 8.16308 -46.2984 7.947 -89.4607 TIMING: 1801600 CPU: 5223.29, 0.00286411/step Wall: 5223.29, 0.00286411/step, 2.5446 hours remaining, 208.031250 MB of memory in use. ENERGY: 1801600 728.9383 2079.0121 1947.0668 111.7287 -206162.1689 17918.9326 0.0000 0.0000 34299.0115 -149077.4787 299.5418 -183376.4903 -148983.5355 299.3170 73.8763 107.0919 556376.3694 -5.5077 -5.6934 PRESSURE: 1801800 -119.188 90.1462 82.7197 90.1466 135.378 88.8327 82.7204 88.8321 -129.915 GPRESSURE: 1801800 -63.7373 145.502 106.459 0.473513 119.6 148.52 91.1737 99.6058 -80.4276 PRESSAVG: 1801800 -17.3558 39.7651 -22.5966 39.765 35.1915 37.1437 -22.5965 37.1437 -35.4552 GPRESSAVG: 1801800 -17.3534 41.2963 -22.7651 39.5254 34.2523 38.0671 -21.3821 37.0102 -34.3536 TIMING: 1801800 CPU: 5223.87, 0.00287967/step Wall: 5223.87, 0.00287967/step, 2.55827 hours remaining, 208.031250 MB of memory in use. ENERGY: 1801800 745.5147 2066.9631 1961.4899 118.0529 -205951.4610 17642.4651 0.0000 0.0000 34499.2680 -148917.7073 301.2907 -183416.9753 -148826.5816 300.3679 -37.9084 -8.1883 558112.1733 -5.8732 -5.8182 PRESSURE: 1802000 182.501 -84.4917 -23.9356 -84.4912 -253.476 110.775 -23.935 110.773 -372.009 GPRESSURE: 1802000 233.992 -41.2018 -14.8625 -85.8615 -215.39 119.887 24.3195 163.118 -358.132 PRESSAVG: 1802000 34.3683 -5.05658 -13.8515 -5.05657 25.8531 -8.35237 -13.8515 -8.35238 -39.118 GPRESSAVG: 1802000 34.4904 -5.83048 -14.4324 -5.54845 26.5699 -6.45238 -15.0989 -7.58933 -39.7708 TIMING: 1802000 CPU: 5224.44, 0.00287768/step Wall: 5224.44, 0.00287768/step, 2.55634 hours remaining, 208.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1802000 772.9637 2081.0029 1958.2857 116.4932 -205688.4028 17563.3807 0.0000 0.0000 34406.5059 -148789.7707 300.4806 -183196.2766 -148688.3657 300.4356 -147.6616 -113.1768 559498.5228 7.0345 7.0965 PRESSURE: 1802200 112.586 -225.7 -53.0374 -225.7 43.8837 -36.9455 -53.0374 -36.9461 362.749 GPRESSURE: 1802200 136.164 -237.854 53.762 -145.228 75.5551 -0.0127681 -81.5185 -123.772 405.145 PRESSAVG: 1802200 15.5308 11.8014 17.3794 11.8014 -22.9406 -18.186 17.3796 -18.186 14.0718 GPRESSAVG: 1802200 15.021 9.96713 17.8657 10.8698 -23.0285 -20.7779 17.3564 -16.8739 14.0157 TIMING: 1802200 CPU: 5225.02, 0.00290749/step Wall: 5225.02, 0.00290749/step, 2.58266 hours remaining, 208.031250 MB of memory in use. ENERGY: 1802200 761.6005 2057.7797 1940.8329 120.0487 -206094.4355 17952.0735 0.0000 0.0000 34452.0594 -148810.0408 300.8784 -183262.1002 -148713.7948 300.4863 173.0729 205.6215 558850.8289 2.2207 2.0027 PRESSURE: 1802400 -40.8522 -49.6203 -93.3641 -49.6203 14.4532 -4.72073 -93.3645 -4.721 23.6228 GPRESSURE: 1802400 43.4988 25.666 -82.6046 -46.4628 -20.8384 -37.8511 -138.398 0.0475674 61.3793 PRESSAVG: 1802400 7.74651 -0.26458 12.3005 -0.264657 13.2718 10.3912 12.3005 10.3912 13.2002 GPRESSAVG: 1802400 7.31323 2.51013 12.5151 0.894897 13.425 9.9113 11.0574 10.8147 13.846 TIMING: 1802400 CPU: 5225.61, 0.0029138/step Wall: 5225.61, 0.0029138/step, 2.5881 hours remaining, 208.031250 MB of memory in use. ENERGY: 1802400 757.1270 2110.6735 1973.4508 124.0886 -206230.0530 17789.0615 0.0000 0.0000 34624.8269 -148850.8246 302.3872 -183475.6515 -148744.7669 300.4037 -0.9254 28.0132 557364.5403 11.4062 11.5281 PRESSURE: 1802600 -29.2895 -61.1573 122.378 -61.1577 -368.169 44.4036 122.379 44.4037 -104.653 GPRESSURE: 1802600 -33.9345 -31.3149 47.8865 -42.7969 -335.381 93.738 99.8749 -20.1011 -56.2258 PRESSAVG: 1802600 8.82152 -6.8894 22.8125 -6.88937 -58.1285 -30.9735 22.8124 -30.9735 16.9448 GPRESSAVG: 1802600 8.62889 -5.71356 22.8404 -8.30355 -57.1903 -29.8401 23.1244 -31.6855 16.8507 TIMING: 1802600 CPU: 5226.19, 0.00293434/step Wall: 5226.19, 0.00293434/step, 2.60619 hours remaining, 208.234375 MB of memory in use. ENERGY: 1802600 752.5474 2113.4151 1954.9729 122.8459 -205685.0705 17589.5066 0.0000 0.0000 34344.8001 -148806.9825 299.9417 -183151.7826 -148710.0123 300.4156 -167.3703 -141.8471 559863.7049 -10.7874 -10.5702 PRESSURE: 1802800 172.775 43.375 186.366 43.3744 116.195 -1.75281 186.365 -1.75436 8.17241 GPRESSURE: 1802800 184.989 82.9848 266.172 7.25048 176.552 -25.0227 170.221 36.1723 11.5853 PRESSAVG: 1802800 53.8796 -13.5762 22.6272 -13.5762 -95.1916 4.03437 22.6272 4.03437 61.8633 GPRESSAVG: 1802800 54.8062 -18.4657 23.5141 -11.7506 -95.8151 4.84682 23.0155 2.18839 60.9405 TIMING: 1802800 CPU: 5226.78, 0.00294146/step Wall: 5226.78, 0.00294146/step, 2.61234 hours remaining, 208.234375 MB of memory in use. ENERGY: 1802800 719.1811 2076.6767 1959.7758 107.7196 -205913.5255 17912.8362 0.0000 0.0000 34479.6320 -148657.7041 301.1192 -183137.3361 -148564.3072 300.5504 99.0476 124.3754 559716.9188 6.8505 6.6439 PRESSURE: 1803000 -21.3782 99.2056 63.4795 99.2056 106.458 -103.642 63.4787 -103.64 148.505 GPRESSURE: 1803000 16.1267 30.0651 91.3992 151.14 97.931 -127.406 107.39 -116.471 215.053 PRESSAVG: 1803000 -13.0199 0.537888 20.7865 0.537897 9.50066 -5.56561 20.7866 -5.56561 39.4992 GPRESSAVG: 1803000 -12.4126 2.81749 18.5945 1.29589 9.39318 -5.31248 20.574 -6.07607 38.7935 TIMING: 1803000 CPU: 5227.37, 0.00293484/step Wall: 5227.37, 0.00293484/step, 2.6063 hours remaining, 208.234375 MB of memory in use. ENERGY: 1803000 756.6829 2088.7684 1999.0049 127.4079 -206038.5730 18032.3952 0.0000 0.0000 34387.7910 -148646.5228 300.3171 -183034.3137 -148546.1383 301.0914 77.8614 109.7037 559567.9335 11.9933 11.9247 PRESSURE: 1803200 -191.26 -9.91088 193.771 -9.91055 47.3005 -78.2533 193.772 -78.2527 -267.458 GPRESSURE: 1803200 -153.701 -53.023 159.859 56.9227 56.5839 -80.5158 185.616 -74.6794 -206.395 PRESSAVG: 1803200 -37.502 2.15721 -7.11449 2.1572 3.84462 44.2963 -7.11446 44.2963 54.47 GPRESSAVG: 1803200 -38.831 -0.0803845 -6.70553 1.65228 4.64632 43.2565 -7.26903 44.4013 55.1397 TIMING: 1803200 CPU: 5227.95, 0.00290328/step Wall: 5227.95, 0.00290328/step, 2.57811 hours remaining, 208.234375 MB of memory in use. ENERGY: 1803200 735.5103 2091.1309 1975.8496 117.9527 -205344.4826 17473.1957 0.0000 0.0000 34250.6295 -148700.2138 299.1193 -182950.8433 -148602.3778 301.0310 -137.1392 -101.1708 557713.2051 6.9375 6.9850 PRESSURE: 1803400 429.07 72.5682 -199.962 72.5691 55.7192 0.0830984 -199.961 0.0832656 104.485 GPRESSURE: 1803400 462.348 118.972 -248.205 49.6509 15.6761 -17.7146 -228.473 30.1041 216.387 PRESSAVG: 1803400 -47.5013 -28.9112 0.286876 -28.9112 -10.3039 -14.7044 0.286915 -14.7044 45.5694 GPRESSAVG: 1803400 -47.9832 -27.3159 1.31369 -29.0584 -10.538 -16.0844 -0.348812 -13.0447 46.9695 TIMING: 1803400 CPU: 5228.53, 0.00288659/step Wall: 5228.53, 0.00288659/step, 2.56313 hours remaining, 208.234375 MB of memory in use. ENERGY: 1803400 755.5812 2115.3976 1933.6720 103.8081 -206165.7005 18050.6179 0.0000 0.0000 34585.3655 -148621.2580 302.0426 -183206.6236 -148517.9955 300.6950 196.4245 231.4701 555933.2675 -4.0786 -3.8506 PRESSURE: 1803600 -212.328 111.373 102.11 111.374 -221.627 -134.528 102.109 -134.53 115.333 GPRESSURE: 1803600 -168.662 147.305 107.088 39.4469 -154.163 -59.2207 72.6029 -151.21 107.177 PRESSAVG: 1803600 -54.4019 12.6253 22.1792 12.6253 -11.4192 -7.98582 22.1791 -7.98576 29.4382 GPRESSAVG: 1803600 -53.9356 13.87 21.8229 11.2912 -12.4452 -8.22798 22.5173 -7.98752 29.6396 TIMING: 1803600 CPU: 5229.1, 0.00288275/step Wall: 5229.1, 0.00288275/step, 2.55956 hours remaining, 208.234375 MB of memory in use. ENERGY: 1803600 768.6883 2072.9389 1970.2504 117.5676 -205661.9026 17514.2418 0.0000 0.0000 34512.7251 -148705.4906 301.4082 -183218.2157 -148608.5080 301.1366 -106.2074 -71.8828 556919.8182 -12.1276 -12.2471 PRESSURE: 1803800 -80.4857 60.162 26.466 60.1614 126.558 57.5741 26.4651 57.5735 -47.2861 GPRESSURE: 1803800 -70.263 35.1957 10.1726 104.963 153.314 84.9188 21.3424 89.5198 13.0946 PRESSAVG: 1803800 -64.9659 -13.5255 18.8626 -13.5255 -31.1611 59.9188 18.8626 59.9187 46.4959 GPRESSAVG: 1803800 -64.3527 -16.9377 20.721 -11.3928 -30.1636 59.9348 18.9705 61.203 44.8894 TIMING: 1803800 CPU: 5229.68, 0.00286965/step Wall: 5229.68, 0.00286965/step, 2.54777 hours remaining, 208.234375 MB of memory in use. ENERGY: 1803800 737.1519 2139.3936 1942.4389 106.8716 -205430.3008 17491.7430 0.0000 0.0000 34342.4338 -148670.2679 299.9210 -183012.7017 -148572.7215 300.8204 -0.4046 32.0487 556324.1745 -16.5437 -16.5423 PRESSURE: 1804000 -292.149 71.4906 130.641 71.4905 -308.759 5.94587 130.641 5.94574 -218.685 GPRESSURE: 1804000 -238.069 83.3191 55.0336 121.921 -264.17 7.34601 35.9433 105.102 -207.974 PRESSAVG: 1804000 23.2819 -3.87816 -36.2246 -3.87814 -41.1275 -6.16382 -36.2246 -6.16368 77.6647 GPRESSAVG: 1804000 23.0562 -1.12807 -35.7384 -5.4628 -41.946 -3.96187 -36.6288 -8.04554 78.341 TIMING: 1804000 CPU: 5230.26, 0.00291055/step Wall: 5230.26, 0.00291055/step, 2.58392 hours remaining, 208.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1804000 754.6181 2065.2163 1980.4751 115.0228 -205225.2640 17281.7872 0.0000 0.0000 34299.6643 -148728.4802 299.5475 -183028.1444 -148630.3426 300.2872 -273.1974 -236.7376 557045.0025 19.9397 19.8171 PRESSURE: 1804200 57.1 -75.6974 71.1008 -75.6977 -62.066 36.6505 71.0998 36.6516 -27.5506 GPRESSURE: 1804200 68.0664 -78.3054 -1.09426 -111.05 -32.983 -44.2777 112.135 23.5411 25.1627 PRESSAVG: 1804200 2.93847 29.3108 -33.7048 29.3109 -20.7605 41.5043 -33.7049 41.5042 37.4252 GPRESSAVG: 1804200 2.6648 28.2251 -36.9774 29.6118 -20.9402 39.7502 -32.8445 43.9924 37.4001 TIMING: 1804200 CPU: 5230.84, 0.0029205/step Wall: 5230.84, 0.0029205/step, 2.59259 hours remaining, 208.234375 MB of memory in use. ENERGY: 1804200 751.1508 2082.8149 1975.0367 118.3649 -205962.8488 17651.8530 0.0000 0.0000 34478.6838 -148904.9447 301.1109 -183383.6285 -148808.4161 300.2636 -10.8389 20.0820 555504.9842 6.5344 6.3749 LDB: ============= START OF LOAD BALANCING ============== 5234.22 LDB: ============== END OF LOAD BALANCING =============== 5234.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5234.23 LDB: ============= START OF LOAD BALANCING ============== 5234.51 LDB: Largest compute 4820 load 0.024326 is 20.6% of average load 0.117989 LDB: Average compute 0.001714 is 1.5% of average load 0.117989 LDB: TIME 5234.52 LOAD: AVG 0.117989 MAX 0.179012 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.883 MB LDB: TIME 5234.52 LOAD: AVG 0.117989 MAX 0.179012 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.93 MB LDB: TIME 5234.52 LOAD: AVG 0.117989 MAX 0.179012 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5234.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5234.52 PRESSURE: 1804400 -89.5763 57.1557 5.68622 57.1562 -147.94 -1.27792 5.6853 -1.2782 -77.9755 GPRESSURE: 1804400 -60.3687 62.7828 -37.8916 36.614 -38.3694 57.3386 -5.42417 -112.803 -124.201 PRESSAVG: 1804400 -30.5393 -4.03826 -4.89137 -4.03832 39.068 -10.4464 -4.89133 -10.4465 -0.789096 GPRESSAVG: 1804400 -31.1739 -1.96798 -2.80758 -6.46849 40.7865 -11.0243 -6.59438 -12.1449 -1.9143 TIMING: 1804400 CPU: 5231.43, 0.0029263/step Wall: 5231.43, 0.0029263/step, 2.59758 hours remaining, 207.449219 MB of memory in use. ENERGY: 1804400 754.3742 2071.5264 1981.0858 110.7115 -205819.2563 17686.3103 0.0000 0.0000 34176.0877 -149039.1604 298.4683 -183215.2481 -148932.8038 300.0194 -105.1639 -74.3131 556598.2335 2.5799 2.5661 PRESSURE: 1804600 168.249 60.3755 -134.028 60.3762 145.745 100.37 -134.029 100.369 6.07471 GPRESSURE: 1804600 214.135 102.343 -101.074 95.269 135.643 140.361 -136.919 16.589 65.4686 PRESSAVG: 1804600 -34.0462 4.69592 7.06024 4.6959 -8.81333 3.2445 7.06022 3.24452 57.1776 GPRESSAVG: 1804600 -34.1655 4.06613 5.28692 6.15719 -10.1797 5.4209 7.05825 4.07516 58.5625 TIMING: 1804600 CPU: 5232, 0.00287929/step Wall: 5232, 0.00287929/step, 2.55569 hours remaining, 207.449219 MB of memory in use. ENERGY: 1804600 729.3782 2094.3641 1949.7434 108.2600 -206115.2269 17822.7239 0.0000 0.0000 34336.8166 -149073.9407 299.8720 -183410.7573 -148977.9161 299.5800 106.6895 138.4156 556324.3617 4.7727 4.7391 PRESSURE: 1804800 6.38646 -56.7289 211.429 -56.7278 -41.3617 -36.5683 211.429 -36.5689 234.366 GPRESSURE: 1804800 58.301 -113.009 179.335 -7.63445 -37.1999 -88.2322 184.187 30.8151 261.739 PRESSAVG: 1804800 -4.80459 -7.41781 11.5201 -7.41773 -14.9719 -25.3304 11.5201 -25.3303 37.0691 GPRESSAVG: 1804800 -3.57368 -7.42238 12.1461 -5.98725 -15.0016 -25.3777 11.7683 -27.0084 36.2502 TIMING: 1804800 CPU: 5232.58, 0.00288715/step Wall: 5232.58, 0.00288715/step, 2.56251 hours remaining, 207.449219 MB of memory in use. ENERGY: 1804800 744.6029 2072.5385 1987.0841 107.0861 -205896.4594 17741.3156 0.0000 0.0000 34272.4936 -148971.3386 299.3102 -183243.8322 -148875.5179 299.6480 66.4635 94.2799 557246.5475 5.7642 5.8916 PRESSURE: 1805000 -314.471 -54.6267 -269.269 -54.6263 90.6093 -125.032 -269.269 -125.032 83.6238 GPRESSURE: 1805000 -241.283 -13.165 -260.2 -25.0064 91.6604 -196.39 -213.152 -161.009 100.653 PRESSAVG: 1805000 4.50703 -34.0203 -71.0517 -34.0202 -29.952 50.0446 -71.0516 50.0446 -28.2228 GPRESSAVG: 1805000 4.0253 -34.2933 -70.8722 -34.4468 -29.56 48.2485 -68.9596 51.3733 -27.4305 TIMING: 1805000 CPU: 5233.16, 0.00287573/step Wall: 5233.16, 0.00287573/step, 2.55221 hours remaining, 207.449219 MB of memory in use. ENERGY: 1805000 743.7849 2068.6147 1980.0634 112.5840 -205673.1631 17417.1043 0.0000 0.0000 34438.9557 -148912.0561 300.7640 -183351.0118 -148816.5774 300.7501 -46.7458 -16.3234 556325.4459 -17.8893 -17.6551 PRESSURE: 1805200 -30.6611 -130.169 -83.0192 -130.169 23.2155 10.1942 -83.0196 10.1943 -459.748 GPRESSURE: 1805200 -34.5771 -124.056 -67.1021 -146.944 56.7432 126.767 -7.84427 25.6462 -397.27 PRESSAVG: 1805200 33.6779 -48.6941 -48.8935 -48.6942 5.91776 -15.7621 -48.8935 -15.7622 -41.3507 GPRESSAVG: 1805200 33.231 -48.4344 -48.946 -48.4573 7.58244 -14.9616 -51.0127 -16.4978 -42.2692 TIMING: 1805200 CPU: 5233.74, 0.00289955/step Wall: 5233.74, 0.00289955/step, 2.57319 hours remaining, 207.515625 MB of memory in use. ENERGY: 1805200 786.1648 2094.2535 1948.7625 117.9413 -205726.4339 17462.2138 0.0000 0.0000 34295.6015 -149021.4966 299.5120 -183317.0980 -148924.6407 300.3522 -155.7310 -125.0348 557427.8987 -0.5850 -0.4853 PRESSURE: 1805400 27.4962 -129.472 -157.436 -129.471 242.114 -100.281 -157.434 -100.281 118.762 GPRESSURE: 1805400 82.9449 -68.1492 -202.762 -56.3646 238.237 -36.8677 -133.793 -182.185 160.834 PRESSAVG: 1805400 -9.02544 -35.3005 -26.6607 -35.3004 15.8192 -18.892 -26.6607 -18.892 -36.8807 GPRESSAVG: 1805400 -8.57174 -33.3091 -27.1479 -37.8868 14.8668 -17.4627 -25.9911 -19.072 -36.4172 TIMING: 1805400 CPU: 5234.31, 0.00289687/step Wall: 5234.31, 0.00289687/step, 2.57065 hours remaining, 207.515625 MB of memory in use. ENERGY: 1805400 740.9625 2090.0993 1924.4829 108.5290 -206049.6037 17811.3815 0.0000 0.0000 34207.5343 -149166.6142 298.7429 -183374.1485 -149071.7312 299.5419 129.4575 160.6723 556109.8833 -10.0290 -10.0407 PRESSURE: 1805600 -162.182 -163.818 68.5073 -163.818 -24.9104 -40.4469 68.5074 -40.4476 177.705 GPRESSURE: 1805600 -99.1742 -188.59 42.3201 -144.888 -46.7839 -22.3735 121.115 -125.988 235.318 PRESSAVG: 1805600 -34.314 5.25009 53.3491 5.25 22.7142 9.1884 53.3492 9.18842 18.8035 GPRESSAVG: 1805600 -34.3894 2.47109 53.778 7.59943 23.3722 6.07539 54.7277 11.8543 18.1324 TIMING: 1805600 CPU: 5234.89, 0.00289684/step Wall: 5234.89, 0.00289684/step, 2.57047 hours remaining, 207.515625 MB of memory in use. ENERGY: 1805600 775.9897 2128.0464 1964.4816 119.4932 -205647.1486 17642.9695 0.0000 0.0000 34059.6044 -148956.5640 297.4510 -183016.1683 -148860.9640 300.1082 -3.1293 29.7867 557403.4116 2.4013 2.3717 PRESSURE: 1805800 445.407 -35.3794 17.742 -35.3794 220.338 -190.8 17.7434 -190.8 -68.9973 GPRESSURE: 1805800 448.638 -4.68953 30.3036 -107.848 245.871 -118.649 -15.2578 -234.685 0.141615 PRESSAVG: 1805800 7.40128 19.0884 8.89827 19.0883 -26.5661 20.1873 8.89834 20.1873 29.4014 GPRESSAVG: 1805800 8.11833 20.7991 7.4952 19.0204 -27.1269 22.439 7.48563 18.3704 29.7806 TIMING: 1805800 CPU: 5235.47, 0.0028748/step Wall: 5235.47, 0.0028748/step, 2.55074 hours remaining, 207.515625 MB of memory in use. ENERGY: 1805800 736.9166 2085.2966 1940.5997 116.0655 -206212.2631 18058.7560 0.0000 0.0000 34438.8774 -148835.7512 300.7633 -183274.6286 -148734.9137 300.0185 198.9159 231.5502 557012.9015 3.4122 3.5907 PRESSURE: 1806000 120 -1.79164 95.1286 -1.79122 28.0706 36.0727 95.1286 36.0719 76.5139 GPRESSURE: 1806000 189.766 -21.7221 86.8052 -41.1298 93.9424 12.5412 163.232 94.7708 38.365 PRESSAVG: 1806000 -4.63065 4.53524 37.7667 4.53524 27.2104 -53.1488 37.7667 -53.1486 18.2919 GPRESSAVG: 1806000 -4.55469 4.04971 38.9942 4.2796 25.8355 -53.9501 36.175 -51.5825 19.2509 TIMING: 1806000 CPU: 5236.05, 0.00291069/step Wall: 5236.05, 0.00291069/step, 2.58243 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1806000 762.4289 2093.9906 1944.0963 137.4374 -205907.6312 17786.4471 0.0000 0.0000 34305.5338 -148877.6973 299.5988 -183183.2310 -148784.4739 300.3824 74.8615 107.3577 556501.1150 13.6239 13.5106 PRESSURE: 1806200 135.103 -50.7004 -41.8897 -50.6989 -11.058 95.5057 -41.8903 95.5065 -145.897 GPRESSURE: 1806200 181.675 -50.7237 -78.3098 3.27783 -55.9708 107.06 -81.1373 3.71874 -67.6698 PRESSAVG: 1806200 -6.00033 -56.413 -29.0316 -56.413 -5.11879 9.77825 -29.0316 9.77839 25.8549 GPRESSAVG: 1806200 -4.9365 -54.0874 -29.4251 -59.1818 -4.80115 13.9964 -27.7908 7.70564 23.9685 TIMING: 1806200 CPU: 5236.63, 0.00289925/step Wall: 5236.63, 0.00289925/step, 2.57212 hours remaining, 207.515625 MB of memory in use. ENERGY: 1806200 759.1168 2127.4373 1937.2939 106.6759 -206154.1065 17807.8692 0.0000 0.0000 34338.2305 -149077.4830 299.8843 -183415.7135 -148992.9091 300.8956 -7.2839 19.3448 558956.8600 4.9119 4.7436 PRESSURE: 1806400 -307.172 219.119 -24.8515 219.117 -197.69 11.1322 -24.8505 11.1319 -125.422 GPRESSURE: 1806400 -264.485 199.49 -12.3966 211.309 -192.819 6.34614 -62.4953 27.127 -65.2305 PRESSAVG: 1806400 0.935897 36.7365 -92.1948 36.7365 -72.1154 -31.9977 -92.1947 -31.9977 22.867 GPRESSAVG: 1806400 0.883248 33.7128 -91.6548 40.2763 -72.3006 -35.2449 -93.1742 -32.1939 22.9235 TIMING: 1806400 CPU: 5237.21, 0.00291278/step Wall: 5237.21, 0.00291278/step, 2.58396 hours remaining, 207.515625 MB of memory in use. ENERGY: 1806400 749.3140 2133.6790 1974.3308 108.3565 -205967.7005 17416.9383 0.0000 0.0000 34459.2918 -149125.7900 300.9416 -183585.0818 -149023.1532 299.7189 -210.0946 -174.1779 557364.1701 -16.1041 -16.1646 PRESSURE: 1806600 112.66 74.2535 3.61082 74.2519 103.944 26.4508 3.61114 26.4516 -40.7677 GPRESSURE: 1806600 173.955 -5.46727 -42.0481 112.731 79.8011 60.7246 41.6507 19.4298 8.21307 PRESSAVG: 1806600 -28.4571 -19.413 7.45918 -19.4131 50.9068 -31.6504 7.45922 -31.6504 21.0281 GPRESSAVG: 1806600 -28.9313 -19.3047 7.29508 -22.1925 51.6184 -30.587 7.98261 -29.4273 20.2583 TIMING: 1806600 CPU: 5237.79, 0.0029023/step Wall: 5237.79, 0.0029023/step, 2.5745 hours remaining, 207.515625 MB of memory in use. ENERGY: 1806600 736.3131 2102.8715 1941.7905 129.0648 -206205.5654 17928.6322 0.0000 0.0000 34247.9354 -149118.9578 299.0957 -183366.8932 -149022.3291 300.3781 58.6121 87.3232 557763.8290 14.4926 14.3151 PRESSURE: 1806800 -199.124 57.3982 -186.648 57.3977 -79.7164 240.175 -186.647 240.174 62.5545 GPRESSURE: 1806800 -190.241 39.8505 -110.951 79.3733 3.57487 194.192 -218.769 228.946 62.1237 PRESSAVG: 1806800 9.71188 -48.6274 -27.7655 -48.6274 -12.0047 51.297 -27.7655 51.2971 -16.4092 GPRESSAVG: 1806800 8.35598 -49.4377 -27.272 -47.347 -10.6173 50.0833 -27.3961 50.87 -16.1998 TIMING: 1806800 CPU: 5238.38, 0.00290729/step Wall: 5238.38, 0.00290729/step, 2.57876 hours remaining, 207.515625 MB of memory in use. ENERGY: 1806800 744.3252 2085.1544 1976.7587 106.4763 -206146.8360 17665.6957 0.0000 0.0000 34444.0191 -149124.4066 300.8082 -183568.4257 -149025.3293 300.3261 -72.0954 -41.5141 556378.4674 -6.2340 -6.1537 PRESSURE: 1807000 -471.271 115.22 182.821 115.221 -12.4667 -7.46325 182.821 -7.4649 -305.704 GPRESSURE: 1807000 -471.128 151.027 156.271 144.178 66.2399 73.7385 216.676 -43.5256 -279.956 PRESSAVG: 1807000 -38.3429 48.5821 18.0433 48.5821 36.995 62.2586 18.0432 62.2585 17.0166 GPRESSAVG: 1807000 -37.2124 49.5495 17.1617 49.823 35.8793 62.9214 18.1543 60.7048 17.0751 TIMING: 1807000 CPU: 5238.96, 0.00291415/step Wall: 5238.96, 0.00291415/step, 2.58469 hours remaining, 207.515625 MB of memory in use. ENERGY: 1807000 712.3876 2124.2726 1943.5063 110.2398 -205584.4826 17305.5722 0.0000 0.0000 34340.7008 -149047.8033 299.9059 -183388.5041 -148942.1532 300.6595 -263.1473 -228.2815 557573.9418 5.2229 5.2473 PRESSURE: 1807200 -129.839 -20.5663 70.7817 -20.5664 -97.2526 -71.2046 70.7814 -71.2059 -20.9181 GPRESSURE: 1807200 -125.37 21.5032 106.286 39.6865 -54.6704 -75.9732 68.3767 -50.9023 7.90862 PRESSAVG: 1807200 -16.7934 5.40057 56.5209 5.40066 30.4167 -15.3009 56.521 -15.301 -19.3596 GPRESSAVG: 1807200 -16.8484 5.38346 55.7313 5.17088 30.3801 -14.6674 57.0232 -15.1868 -19.0728 TIMING: 1807200 CPU: 5239.54, 0.00291079/step Wall: 5239.54, 0.00291079/step, 2.58155 hours remaining, 207.515625 MB of memory in use. ENERGY: 1807200 755.2777 2128.5887 1975.0646 118.2831 -205976.4219 17632.2185 0.0000 0.0000 34228.6099 -149138.3794 298.9270 -183366.9893 -149048.0765 299.8559 -82.6700 -57.3772 557893.0684 -1.9121 -1.8470 PRESSURE: 1807400 -225.168 -125.107 154.143 -125.106 -97.0256 46.3452 154.142 46.3443 -312.962 GPRESSURE: 1807400 -165.913 -121.886 187.649 -112.209 -112.31 30.9912 137.143 36.1698 -260.731 PRESSAVG: 1807400 14.0469 -14.7288 19.8755 -14.7288 39.7288 -6.72084 19.8754 -6.72098 -27.9508 GPRESSAVG: 1807400 13.7792 -14.5418 20.9887 -14.5798 38.9569 -9.04106 20.2859 -6.05298 -27.5518 TIMING: 1807400 CPU: 5240.12, 0.00291429/step Wall: 5240.12, 0.00291429/step, 2.58449 hours remaining, 207.515625 MB of memory in use. ENERGY: 1807400 739.6407 2152.7699 1942.4691 115.3576 -205916.5255 17466.6501 0.0000 0.0000 34336.5054 -149163.1328 299.8692 -183499.6382 -149066.5967 299.3406 -211.7186 -179.6514 556762.8159 8.6083 8.3948 PRESSURE: 1807600 -259.032 -256.172 -31.7719 -256.172 -183.501 -17.9074 -31.771 -17.9058 -19.9365 GPRESSURE: 1807600 -210.741 -277.689 -94.0327 -252.045 -163.102 83.2155 -43.7792 -76.1792 5.7829 PRESSAVG: 1807600 -7.5088 -2.04803 -32.1523 -2.04808 -12.4603 -6.13285 -32.1523 -6.13279 27.9104 GPRESSAVG: 1807600 -7.80084 -2.3956 -30.2653 -2.86678 -11.2051 -5.41326 -31.3649 -5.58863 27.4054 TIMING: 1807600 CPU: 5240.7, 0.00287631/step Wall: 5240.7, 0.00287631/step, 2.55064 hours remaining, 207.515625 MB of memory in use. ENERGY: 1807600 768.6558 2098.2019 1947.2457 106.9385 -205531.3605 17313.2405 0.0000 0.0000 34180.6292 -149116.4490 298.5079 -183297.0782 -149020.7889 299.5446 -154.1566 -122.6868 556821.4879 2.6471 2.7998 PRESSURE: 1807800 -12.9148 -221.405 -160.953 -221.405 48.3663 166.018 -160.955 166.018 415.222 GPRESSURE: 1807800 57.4143 -217.542 -195.213 -180.773 83.3404 96.9813 -146.133 125.661 399.326 PRESSAVG: 1807800 59.0567 -42.224 -59.6112 -42.224 17.0786 -23.9314 -59.6112 -23.9315 -15.3724 GPRESSAVG: 1807800 60.3907 -44.4507 -63.076 -40.1462 16.2799 -25.6696 -60.7048 -24.9255 -15.8531 TIMING: 1807800 CPU: 5241.27, 0.00287274/step Wall: 5241.27, 0.00287274/step, 2.54732 hours remaining, 207.515625 MB of memory in use. ENERGY: 1807800 762.8164 2075.1578 1949.0087 135.1059 -206613.2241 18035.2345 0.0000 0.0000 34465.8244 -149190.0765 300.9986 -183655.9009 -149096.8672 299.6452 150.2244 180.0270 555865.5264 20.2543 20.2725 PRESSURE: 1808000 -281.71 149.006 105.094 149.006 -239.74 34.949 105.094 34.9477 -204.637 GPRESSURE: 1808000 -200.247 208.397 207.202 56.8816 -224.712 70.6585 88.7921 29.5826 -207.124 PRESSAVG: 1808000 7.32346 -3.66844 -18.84 -3.66852 -8.04698 -37.2502 -18.8399 -37.2502 6.89453 GPRESSAVG: 1808000 6.32447 0.389 -15.3111 -6.09896 -7.32003 -35.9281 -19.5839 -37.1136 7.10692 TIMING: 1808000 CPU: 5241.85, 0.00289596/step Wall: 5241.85, 0.00289596/step, 2.56775 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1808000 817.5243 2066.3372 1944.5449 123.3250 -205789.2423 17457.5772 0.0000 0.0000 34282.9811 -149096.9525 299.4018 -183379.9336 -149004.4122 300.0170 -242.0291 -210.6942 557745.1919 2.0570 2.0371 PRESSURE: 1808200 -109.828 -74.9401 227.755 -74.9413 126.62 23.6852 227.755 23.685 140.014 GPRESSURE: 1808200 -106.132 -102.353 221.462 -124.233 209.112 38.3282 221.537 -8.17431 152.248 PRESSAVG: 1808200 -11.3612 -0.686636 -27.3521 -0.686687 2.38065 1.07596 -27.3522 1.07607 5.07556 GPRESSAVG: 1808200 -10.1959 -1.57893 -27.7646 1.31715 2.59095 0.840688 -28.0051 0.603578 3.29145 TIMING: 1808200 CPU: 5242.43, 0.00288576/step Wall: 5242.43, 0.00288576/step, 2.55855 hours remaining, 207.515625 MB of memory in use. ENERGY: 1808200 809.6798 2037.9975 1959.8610 127.4653 -206351.4886 17933.2575 0.0000 0.0000 34343.7663 -149139.4613 299.9327 -183483.2276 -149042.4011 300.2496 52.2686 85.0763 556407.6778 -1.3017 -1.4378 LDB: ============= START OF LOAD BALANCING ============== 5245.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5245.81 LDB: =============== DONE WITH MIGRATION ================ 5245.81 LDB: ============= START OF LOAD BALANCING ============== 5246.1 LDB: Largest compute 4820 load 0.023402 is 19.8% of average load 0.117911 LDB: Average compute 0.001719 is 1.5% of average load 0.117911 LDB: TIME 5246.1 LOAD: AVG 0.117911 MAX 0.179112 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.82 MB LDB: TIME 5246.11 LOAD: AVG 0.117911 MAX 0.179112 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.062 MB LDB: TIME 5246.11 LOAD: AVG 0.117911 MAX 0.179112 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.062 MB LDB: ============== END OF LOAD BALANCING =============== 5246.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5246.11 PRESSURE: 1808400 -67.288 -107.96 142.874 -107.961 -172.427 51.4351 142.873 51.4365 -33.4068 GPRESSURE: 1808400 -24.8724 -96.3539 51.6087 -129.917 -172.238 55.5158 219.066 81.7696 18.1744 PRESSAVG: 1808400 33.6948 7.9549 20.325 7.95496 -20.7647 57.1678 20.3249 57.1679 -48.7374 GPRESSAVG: 1808400 32.5758 7.12269 18.3887 7.61323 -20.923 58.698 21.2539 56.6496 -47.5502 TIMING: 1808400 CPU: 5243.02, 0.00292903/step Wall: 5243.02, 0.00292903/step, 2.59674 hours remaining, 208.675781 MB of memory in use. ENERGY: 1808400 772.0503 2086.7585 1935.5572 116.3487 -205890.7117 17662.9131 0.0000 0.0000 34215.1903 -149101.8935 298.8098 -183317.0838 -149006.6652 299.9871 -91.0406 -59.6452 558201.4890 -11.9357 -11.9658 PRESSURE: 1808600 -78.1346 74.0438 -11.4359 74.044 194.388 -89.9116 -11.4369 -89.9135 83.9381 GPRESSURE: 1808600 -13.1653 72.323 56.0506 3.23187 185.042 -33.9548 -17.7518 -96.1911 122.519 PRESSAVG: 1808600 -50.7231 -34.3913 5.61452 -34.3914 39.7156 11.9768 5.61461 11.9768 33.9078 GPRESSAVG: 1808600 -49.3861 -32.8469 6.10177 -35.4655 38.309 13.0836 7.22535 11.9985 34.3893 TIMING: 1808600 CPU: 5243.6, 0.00290282/step Wall: 5243.6, 0.00290282/step, 2.57335 hours remaining, 208.675781 MB of memory in use. ENERGY: 1808600 731.3611 2022.1106 1940.9309 112.4268 -206138.2312 17783.8511 0.0000 0.0000 34416.9281 -149130.6226 300.5716 -183547.5508 -149031.3224 299.5587 66.7305 98.1321 556108.3422 7.6334 7.7707 PRESSURE: 1808800 15.3502 -17.204 1.17288 -17.2032 -33.5255 -57.0367 1.1744 -57.0355 50.2037 GPRESSURE: 1808800 23.513 -12.1769 24.0135 -71.1767 -12.7008 -70.714 -35.1172 -109.46 114.706 PRESSAVG: 1808800 -62.626 10.1205 -16.0795 10.1204 -7.97299 22.2438 -16.0795 22.2437 7.01993 GPRESSAVG: 1808800 -62.6754 9.346 -16.8591 10.675 -8.17682 21.2813 -15.6637 23.0587 7.24507 TIMING: 1808800 CPU: 5244.17, 0.00288364/step Wall: 5244.17, 0.00288364/step, 2.55619 hours remaining, 208.675781 MB of memory in use. ENERGY: 1808800 713.2020 2085.7990 1967.4013 101.2487 -206196.3310 17772.0869 0.0000 0.0000 34416.2431 -149140.3500 300.5656 -183556.5931 -149050.1870 299.4233 10.6762 41.8394 558763.4132 -21.1930 -21.2024 PRESSURE: 1809000 -185.776 -60.3157 -167.096 -60.3147 -322.511 189.06 -167.096 189.06 -71.6185 GPRESSURE: 1809000 -171.603 -111.792 -208.748 -37.6996 -341.037 207.484 -200.254 95.559 34.4918 PRESSAVG: 1809000 -7.03699 -52.0601 -35.447 -52.0601 -36.558 -31.6397 -35.447 -31.6396 60.9324 GPRESSAVG: 1809000 -8.70948 -55.0437 -34.0865 -51.774 -37.1402 -33.5673 -36.2736 -31.6373 63.57 TIMING: 1809000 CPU: 5244.75, 0.0028867/step Wall: 5244.75, 0.0028867/step, 2.55874 hours remaining, 208.675781 MB of memory in use. ENERGY: 1809000 758.7687 2120.7374 1934.6541 109.3556 -205844.3663 17576.1376 0.0000 0.0000 34238.5624 -149106.1505 299.0139 -183344.7128 -149009.2674 299.5419 -193.3018 -159.3830 557827.6988 5.7792 5.9068 PRESSURE: 1809200 -38.0208 20.6849 84.1317 20.6856 1.34214 71.0785 84.1319 71.0783 173.538 GPRESSURE: 1809200 -66.0778 0.780752 115.601 97.6771 48.6118 81.6239 86.5359 -53.8777 257.791 PRESSAVG: 1809200 1.46947 -9.5371 -11.4339 -9.53706 44.4039 22.8215 -11.4339 22.8215 0.965178 GPRESSAVG: 1809200 2.56855 -9.44872 -11.5685 -7.63319 45.2261 21.8412 -11.4681 25.0014 -1.10599 TIMING: 1809200 CPU: 5245.33, 0.00287697/step Wall: 5245.33, 0.00287697/step, 2.54996 hours remaining, 208.675781 MB of memory in use. ENERGY: 1809200 768.9788 2077.3293 1953.0254 119.3609 -206729.1161 18176.1247 0.0000 0.0000 34478.4919 -149155.8051 301.1092 -183634.2970 -149051.3161 299.8021 45.6198 80.1083 556337.2769 15.6129 15.5629 PRESSURE: 1809400 70.2478 -156.06 -112.084 -156.06 -264.203 196.334 -112.085 196.334 52.2728 GPRESSURE: 1809400 120.65 -206.462 -108.427 -148.392 -220.311 168.729 -141.344 238.587 52.453 PRESSAVG: 1809400 -60.5715 -65.595 -17.1486 -65.595 27.5837 79.0604 -17.1485 79.0605 -5.84105 GPRESSAVG: 1809400 -61.7772 -64.1415 -18.9364 -69.818 28.7462 79.8041 -16.6024 77.4821 -5.48028 TIMING: 1809400 CPU: 5245.9, 0.00289591/step Wall: 5245.9, 0.00289591/step, 2.56658 hours remaining, 208.675781 MB of memory in use. ENERGY: 1809400 752.4977 2147.9830 1934.3644 119.4205 -205821.5920 17613.1774 0.0000 0.0000 34332.9038 -148921.2452 299.8378 -183254.1491 -148821.4058 300.3421 -47.2276 -15.7359 556449.9114 -12.9429 -12.8371 PRESSURE: 1809600 -71.9688 -33.9261 -103.639 -33.9271 -336.924 -44.7196 -103.64 -44.7193 30.955 GPRESSURE: 1809600 -55.1753 -109.324 -88.5856 -56.7862 -269.306 -79.5223 -74.4018 -51.1374 39.55 PRESSAVG: 1809600 58.1995 -52.6233 31.9408 -52.6233 16.5088 4.18138 31.9407 4.1814 -28.9207 GPRESSAVG: 1809600 59.9297 -52.3782 32.8677 -50.8836 14.7186 5.22298 31.1308 0.482942 -29.2982 TIMING: 1809600 CPU: 5246.49, 0.00290132/step Wall: 5246.49, 0.00290132/step, 2.57121 hours remaining, 208.675781 MB of memory in use. ENERGY: 1809600 714.3321 2075.1927 1932.9960 129.6679 -205453.9962 17477.8169 0.0000 0.0000 34299.6639 -148824.3265 299.5475 -183123.9905 -148727.1239 300.5256 -125.9792 -94.9770 557358.3917 15.2626 15.1167 PRESSURE: 1809800 25.6491 -40.518 -3.48239 -40.5191 -180.332 50.811 -3.48262 50.8116 30.4972 GPRESSURE: 1809800 85.4253 -57.5895 16.0661 -27.418 -147.616 124.278 -42.265 -11.6187 47.9489 PRESSAVG: 1809800 30.4948 -27.6335 2.58191 -27.6335 -72.4338 -14.3208 2.58192 -14.3208 4.84434 GPRESSAVG: 1809800 29.9934 -26.2645 3.73156 -27.7321 -72.39 -14.5189 3.34557 -12.6943 4.57218 TIMING: 1809800 CPU: 5247.06, 0.0028889/step Wall: 5247.06, 0.0028889/step, 2.56004 hours remaining, 208.675781 MB of memory in use. ENERGY: 1809800 748.2632 2086.3514 1954.8646 120.6575 -206201.5001 17923.7723 0.0000 0.0000 34387.5849 -148980.0062 300.3153 -183367.5911 -148888.7258 301.0571 -41.3953 -4.7474 556774.5618 -12.3649 -12.6082 PRESSURE: 1810000 73.262 22.529 -175.346 22.5286 134.767 -134.731 -175.347 -134.729 168.961 GPRESSURE: 1810000 118.119 -5.26108 -152.011 88.6845 160.952 -138.148 -150.046 -165.937 199.713 PRESSAVG: 1810000 7.25739 -25.7826 28.2459 -25.7827 24.5822 -22.1135 28.2458 -22.1135 56.0844 GPRESSAVG: 1810000 6.29152 -27.0494 26.5505 -23.5485 24.331 -22.8053 28.9743 -19.7298 57.7161 TIMING: 1810000 CPU: 5247.64, 0.00289478/step Wall: 5247.64, 0.00289478/step, 2.5651 hours remaining, 208.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1810000 742.5354 2058.1464 1922.4577 124.7303 -205939.0837 17941.4003 0.0000 0.0000 34346.8451 -148802.9686 299.9595 -183149.8136 -148711.5690 300.9994 125.6635 159.5946 557605.4503 29.3080 29.4462 PRESSURE: 1810200 -149.284 133.558 -132.295 133.559 115.662 -126.092 -132.295 -126.094 81.2448 GPRESSURE: 1810200 -82.7465 99.1071 -136.836 161.859 163.414 -83.1907 5.69252 -138.274 69.4217 PRESSAVG: 1810200 5.08268 26.551 17.6984 26.5509 38.7529 33.8012 17.6984 33.8013 -9.68647 GPRESSAVG: 1810200 6.07315 26.1496 18.5589 27.8255 39.8848 36.5179 17.1143 31.1813 -11.8454 TIMING: 1810200 CPU: 5248.22, 0.00290012/step Wall: 5248.22, 0.00290012/step, 2.56967 hours remaining, 208.796875 MB of memory in use. ENERGY: 1810200 741.5673 2072.9175 1967.9559 108.7277 -205785.6122 17604.4547 0.0000 0.0000 34607.6642 -148682.3248 302.2373 -183289.9890 -148581.2165 300.4984 15.8744 50.0296 556920.9736 11.3830 11.3709 PRESSURE: 1810400 -162.149 -45.5594 153.784 -45.5586 189.197 121.85 153.786 121.849 77.2348 GPRESSURE: 1810400 -110.649 -101.653 176.058 -72.8384 215.046 143.923 135.351 128.659 106.515 PRESSAVG: 1810400 0.465728 12.6272 57.4086 12.6272 -28.646 13.6303 57.4087 13.6303 33.0762 GPRESSAVG: 1810400 -0.456299 13.4955 57.0574 9.83967 -29.0468 10.8935 59.0384 16.9226 34.1292 TIMING: 1810400 CPU: 5248.8, 0.00288155/step Wall: 5248.8, 0.00288155/step, 2.55305 hours remaining, 208.796875 MB of memory in use. ENERGY: 1810400 721.3741 2061.4019 1960.2798 111.4318 -205760.2286 17763.3478 0.0000 0.0000 34331.6745 -148810.7186 299.8271 -183142.3932 -148712.9553 300.2065 34.7609 70.3043 558334.9312 1.6320 1.5420 PRESSURE: 1810600 -39.2362 126.593 69.4709 126.593 -87.0646 -107.122 69.4692 -107.121 3.20281 GPRESSURE: 1810600 -3.20598 152.673 143.294 153.238 -16.5694 -56.6165 60.0453 -108.936 -9.74507 PRESSAVG: 1810600 5.49298 14.096 22.5379 14.096 -23.2558 -6.47152 22.538 -6.47146 45.4623 GPRESSAVG: 1810600 7.30716 14.0329 23.7626 13.7001 -24.6191 -6.04531 20.9755 -9.19707 45.6003 TIMING: 1810600 CPU: 5249.38, 0.00290887/step Wall: 5249.38, 0.00290887/step, 2.57709 hours remaining, 208.796875 MB of memory in use. ENERGY: 1810600 762.6990 2104.7069 1970.7126 117.8287 -205552.0697 17463.7660 0.0000 0.0000 34146.9929 -148985.3637 298.2142 -183132.3566 -148885.9274 299.9209 -41.0327 -9.8401 557638.4185 9.2332 9.4295 PRESSURE: 1810800 63.1782 -38.7859 36.3145 -38.7863 184.675 296.475 36.3159 296.476 286.032 GPRESSURE: 1810800 113.418 -94.7358 58.9155 -49.8839 208.859 284.076 65.3318 194.631 305.153 PRESSAVG: 1810800 -13.5822 6.54045 45.8802 6.54053 21.7174 -19.1535 45.8802 -19.1536 22.4485 GPRESSAVG: 1810800 -12.9635 3.38606 44.8468 8.39248 22.0259 -18.0532 46.6539 -18.4732 21.9363 TIMING: 1810800 CPU: 5249.96, 0.00289006/step Wall: 5249.96, 0.00289006/step, 2.56027 hours remaining, 209.039062 MB of memory in use. ENERGY: 1810800 737.8431 2091.6725 1946.2423 112.4016 -206319.6510 18080.4454 0.0000 0.0000 34193.0509 -149157.9952 298.6164 -183351.0460 -149062.9554 299.7519 177.9618 209.1432 557168.0108 10.1946 10.3329 PRESSURE: 1811000 -188.054 93.7844 109.652 93.7851 -55.5498 134.773 109.651 134.773 29.375 GPRESSURE: 1811000 -184.854 89.2835 175.63 82.0059 -36.2576 105.884 69.2094 195.786 98.77 PRESSAVG: 1811000 -12.38 4.62703 -11.797 4.62696 5.26377 -27.5182 -11.7971 -27.5183 -0.808536 GPRESSAVG: 1811000 -12.422 7.19089 -12.4871 3.43761 5.44582 -27.9752 -10.9535 -29.8548 -0.76705 TIMING: 1811000 CPU: 5250.54, 0.00291057/step Wall: 5250.54, 0.00291057/step, 2.57828 hours remaining, 209.039062 MB of memory in use. ENERGY: 1811000 754.0830 2039.4789 1964.3478 119.0655 -206037.2506 17778.0581 0.0000 0.0000 34246.7307 -149135.4867 299.0852 -183382.2174 -149039.4015 299.5961 -71.4097 -40.7804 558648.0003 -2.6416 -2.5811 PRESSURE: 1811200 -37.8823 16.3174 103.986 16.3167 -74.5657 -16.343 103.987 -16.3448 -110.525 GPRESSURE: 1811200 -57.398 31.5328 21.1539 52.8071 -43.5298 -0.946188 101.265 -8.60023 -32.3787 PRESSAVG: 1811200 3.41439 10.177 36.1453 10.1769 -41.7774 -62.3818 36.1453 -62.3819 45.2413 GPRESSAVG: 1811200 1.90711 9.62242 36.303 10.7568 -41.0624 -62.261 36.0185 -59.0155 46.2762 TIMING: 1811200 CPU: 5251.12, 0.00287904/step Wall: 5251.12, 0.00287904/step, 2.55019 hours remaining, 209.039062 MB of memory in use. ENERGY: 1811200 734.2739 2032.7798 1951.3463 116.8053 -205742.5865 17543.1228 0.0000 0.0000 34286.7513 -149077.5071 299.4347 -183364.2584 -148983.8280 299.5805 -74.3244 -44.4355 558340.5798 2.2927 2.3736 PRESSURE: 1811400 -48.6736 3.95433 -4.04841 3.95406 127.088 66.2512 -4.04911 66.2517 166.082 GPRESSURE: 1811400 60.6402 52.2143 56.3676 74.0133 68.7665 40.3357 -26.6532 55.7199 211.824 PRESSAVG: 1811400 21.0444 1.54176 8.58504 1.54181 -9.24301 -60.5093 8.58515 -60.5092 0.125332 GPRESSAVG: 1811400 22.7345 2.9292 7.60602 0.807275 -9.88004 -60.3161 7.86341 -62.9067 -0.554199 TIMING: 1811400 CPU: 5251.69, 0.00287062/step Wall: 5251.69, 0.00287062/step, 2.54257 hours remaining, 209.039062 MB of memory in use. ENERGY: 1811400 743.8859 2121.4100 1954.4051 129.2821 -206552.9103 18005.5119 0.0000 0.0000 34597.0860 -149001.3293 302.1450 -183598.4153 -148909.3976 300.1289 81.4987 113.7437 557659.5936 3.9756 4.1001 PRESSURE: 1811600 -288.199 -116.488 117.551 -116.486 36.2892 -148.108 117.551 -148.11 334.26 GPRESSURE: 1811600 -259.459 -133.535 178.523 -180.691 95.8656 -122.843 73.4426 -216.109 348.154 PRESSAVG: 1811600 21.0056 15.1814 24.7574 15.1814 26.7767 -24.0566 24.7574 -24.0564 -7.73873 GPRESSAVG: 1811600 19.3449 12.7165 25.1809 18.1703 28.0445 -23.4784 24.1327 -22.6303 -7.50921 TIMING: 1811600 CPU: 5252.27, 0.00290686/step Wall: 5252.27, 0.00290686/step, 2.57451 hours remaining, 209.039062 MB of memory in use. ENERGY: 1811600 720.2589 2125.0308 1946.1882 118.3084 -205812.9500 17565.8090 0.0000 0.0000 34231.1889 -149106.1657 298.9495 -183337.3547 -149006.8657 300.3668 27.4499 61.5203 556450.3655 13.3478 13.2934 PRESSURE: 1811800 197.087 0.312155 119.882 0.312353 9.22972 46.86 119.881 46.8585 -118.418 GPRESSURE: 1811800 184.158 24.3442 39.3729 -12.5888 45.0746 35.4113 137.639 31.0021 -37.7138 PRESSAVG: 1811800 -29.8001 -11.3647 23.1444 -11.3647 57.3835 -52.1662 23.1444 -52.1664 -9.11178 GPRESSAVG: 1811800 -28.8197 -9.4684 22.6912 -12.7034 57.0443 -53.4615 22.6417 -52.7122 -9.45959 TIMING: 1811800 CPU: 5252.85, 0.00289871/step Wall: 5252.85, 0.00289871/step, 2.56713 hours remaining, 209.039062 MB of memory in use. ENERGY: 1811800 744.0422 2109.1390 1948.8905 116.7398 -206074.3913 17711.5729 0.0000 0.0000 34266.7824 -149177.2246 299.2603 -183444.0070 -149085.4109 299.0937 29.2998 63.8394 556252.8007 6.1572 6.2550 PRESSURE: 1812000 -121.382 92.0366 130.582 92.0371 -81.1808 -33.811 130.582 -33.8116 -50.1812 GPRESSURE: 1812000 -48.7643 102.095 149.415 -42.7681 -55.4809 -14.3549 123.573 -64.6718 -62.3669 PRESSAVG: 1812000 -25.8642 -39.4845 21.1526 -39.4844 -2.07213 26.9367 21.1527 26.9367 39.332 GPRESSAVG: 1812000 -24.7461 -41.0147 20.9228 -37.8895 -2.91643 28.8328 21.73 26.9006 39.569 TIMING: 1812000 CPU: 5253.43, 0.00289481/step Wall: 5253.43, 0.00289481/step, 2.56352 hours remaining, 209.039062 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: 1812000 710.8355 2116.0210 1974.4630 114.6924 -206076.8253 17657.8196 0.0000 0.0000 34331.4341 -149171.5598 299.8250 -183502.9939 -149079.1933 299.8582 -84.2482 -55.5374 556476.0377 3.7986 3.9688 PRESSURE: 1812200 -8.4544 -24.9387 -117.823 -24.9379 -259.318 51.1925 -117.823 51.1912 -314.939 GPRESSURE: 1812200 -0.67028 -16.6811 -165.909 -54.4757 -229.037 55.5875 -16.8567 75.1181 -256.142 PRESSAVG: 1812200 57.0854 12.186 -3.97495 12.186 13.1516 -2.81113 -3.9749 -2.811 -21.205 GPRESSAVG: 1812200 56.4458 12.1407 -3.50356 10.8806 14.0234 -3.85122 -4.05118 -2.68606 -21.1528 TIMING: 1812200 CPU: 5254.01, 0.00292424/step Wall: 5254.01, 0.00292424/step, 2.58941 hours remaining, 209.039062 MB of memory in use. ENERGY: 1812200 763.1258 2061.9909 1959.1580 111.7334 -205776.2545 17523.3541 0.0000 0.0000 34305.0250 -149051.8673 299.5943 -183356.8924 -148949.7072 299.9279 -194.2370 -161.9498 558451.0047 16.3440 16.4388 LDB: ============= START OF LOAD BALANCING ============== 5257.4 LDB: ============== END OF LOAD BALANCING =============== 5257.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5257.4 LDB: ============= START OF LOAD BALANCING ============== 5257.69 LDB: Largest compute 4820 load 0.022766 is 19.3% of average load 0.117963 LDB: Average compute 0.001712 is 1.5% of average load 0.117963 LDB: TIME 5257.69 LOAD: AVG 0.117963 MAX 0.178873 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.723 MB LDB: TIME 5257.69 LOAD: AVG 0.117963 MAX 0.178872 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.793 MB LDB: TIME 5257.69 LOAD: AVG 0.117963 MAX 0.178872 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.793 MB LDB: ============== END OF LOAD BALANCING =============== 5257.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5257.7 PRESSURE: 1812400 -65.2645 12.7334 95.6205 12.7329 -120.898 54.2083 95.6205 54.2109 -45.6381 GPRESSURE: 1812400 -16.3855 5.72579 136.811 30.3052 -60.9782 4.29167 34.3413 38.2186 -47.4979 PRESSAVG: 1812400 89.8862 5.14275 -2.6667 5.14278 -47.3489 12.6359 -2.66664 12.636 -4.4837 GPRESSAVG: 1812400 89.5289 5.5985 -3.11523 5.39953 -47.0884 10.4353 -1.9953 13.4435 -4.50131 TIMING: 1812400 CPU: 5254.6, 0.0029304/step Wall: 5254.6, 0.0029304/step, 2.5947 hours remaining, 208.207031 MB of memory in use. ENERGY: 1812400 721.1378 2083.7492 1939.1284 113.1302 -206295.4316 17876.9080 0.0000 0.0000 34296.7843 -149264.5937 299.5223 -183561.3780 -149167.9232 299.5793 -77.2667 -41.6206 558592.5297 12.6845 12.6464 PRESSURE: 1812600 -20.3525 3.53303 220.857 3.53276 -33.6512 143.471 220.857 143.471 53.0598 GPRESSURE: 1812600 -1.36514 -12.3688 165.82 144.755 -7.67411 24.1835 136.419 105.118 105.672 PRESSAVG: 1812600 44.9155 -6.33153 -21.9206 -6.33151 -85.8896 6.51426 -21.9206 6.51436 16.0047 GPRESSAVG: 1812600 46.0176 -6.52036 -22.7106 -6.50626 -86.4302 8.48533 -21.7401 6.10489 15.8129 TIMING: 1812600 CPU: 5255.18, 0.00288106/step Wall: 5255.18, 0.00288106/step, 2.55086 hours remaining, 208.207031 MB of memory in use. ENERGY: 1812600 759.5074 2161.6242 1933.5353 111.1433 -206126.4575 17667.5232 0.0000 0.0000 34229.3084 -149263.8157 298.9331 -183493.1241 -149171.7006 299.5934 -0.3147 32.2110 557012.1038 -8.3231 -8.1999 PRESSURE: 1812800 -195.329 -38.1054 28.7435 -38.1059 53.1403 -20.3671 28.7424 -20.3675 -45.7712 GPRESSURE: 1812800 -128.486 -22.7855 0.689769 -44.328 54.3555 16.1783 42.6569 18.3903 -14.4945 PRESSAVG: 1812800 13.4437 -11.8235 3.46207 -11.8235 14.8681 6.65004 3.462 6.64999 -20.6351 GPRESSAVG: 1812800 14.3235 -12.6925 4.89016 -10.6444 14.4979 9.20385 3.29395 4.27373 -21.5001 TIMING: 1812800 CPU: 5255.76, 0.00290535/step Wall: 5255.76, 0.00290535/step, 2.5722 hours remaining, 208.207031 MB of memory in use. ENERGY: 1812800 732.3366 2101.4663 1916.5996 113.2267 -206202.1306 17597.1723 0.0000 0.0000 34382.0023 -149359.3269 300.2666 -183741.3292 -149261.7386 299.1687 -62.6533 -29.5417 557527.8046 2.5589 2.4404 PRESSURE: 1813000 37.42 -148.546 -52.3215 -148.546 80.3437 141.063 -52.3225 141.064 -302.179 GPRESSURE: 1813000 70.7961 -186.674 -79.1435 -144.3 106.608 58.4091 -86.2193 99.1711 -270.716 PRESSAVG: 1813000 -46.7885 -29.7595 67.2917 -29.7594 62.1496 -2.10485 67.2918 -2.10481 -8.47896 GPRESSAVG: 1813000 -46.3939 -29.5641 68.7455 -31.2447 62.1219 -4.18627 65.3602 1.18015 -8.78096 TIMING: 1813000 CPU: 5256.34, 0.0029112/step Wall: 5256.34, 0.0029112/step, 2.57722 hours remaining, 208.207031 MB of memory in use. ENERGY: 1813000 749.4554 2090.6282 1917.5105 112.4235 -206413.7501 17806.2854 0.0000 0.0000 34395.7710 -149341.6761 300.3868 -183737.4471 -149244.7746 298.5349 -61.4717 -31.1038 558668.5160 2.2940 2.3157 PRESSURE: 1813200 -161.819 -86.3123 58.5776 -86.3115 -158.021 -11.4989 58.5777 -11.4985 -209.134 GPRESSURE: 1813200 -132.756 -92.533 19.7815 -73.1234 -109.086 -29.7504 119.529 9.73736 -190.029 PRESSAVG: 1813200 -41.8701 -4.01936 46.5775 -4.01932 30.4142 -16.3867 46.5776 -16.3867 -15.0242 GPRESSAVG: 1813200 -43.271 -4.58014 43.8945 -3.53586 30.5261 -16.2732 49.3463 -17.3106 -13.5073 TIMING: 1813200 CPU: 5256.92, 0.00289673/step Wall: 5256.92, 0.00289673/step, 2.56425 hours remaining, 208.207031 MB of memory in use. ENERGY: 1813200 780.7822 2044.2127 1958.2222 106.1823 -205950.0704 17594.0947 0.0000 0.0000 34099.7697 -149366.8067 297.8018 -183466.5764 -149271.1738 298.3194 -176.3245 -143.9569 557406.6344 -8.8267 -8.7507 PRESSURE: 1813400 241.863 -37.2188 123.912 -37.2196 5.73715 133.82 123.912 133.819 -9.95826 GPRESSURE: 1813400 292.327 -50.2221 149.96 -101.654 24.0318 103.814 122.336 109.672 15.7701 PRESSAVG: 1813400 77.6887 -32.3664 1.22984 -32.3663 -51.2452 15.1888 1.22982 15.1888 -24.6269 GPRESSAVG: 1813400 78.4283 -33.268 2.58055 -33.5415 -51.0347 13.3526 0.0229847 15.89 -25.4185 TIMING: 1813400 CPU: 5257.5, 0.00288186/step Wall: 5257.5, 0.00288186/step, 2.55093 hours remaining, 208.207031 MB of memory in use. ENERGY: 1813400 745.8207 2141.0250 1940.9840 115.8816 -206543.0585 17922.1663 0.0000 0.0000 34269.0535 -149408.1273 299.2802 -183677.1808 -149312.6185 298.1698 79.2139 110.7097 555972.2941 0.6055 0.6583 PRESSURE: 1813600 63.3163 -16.2803 -13.6152 -16.2799 25.4867 66.333 -13.615 66.3309 -154.62 GPRESSURE: 1813600 43.7619 -30.5026 -56.0122 3.0498 67.5507 50.7787 34.0496 60.972 -89.6271 PRESSAVG: 1813600 107.469 3.38199 -6.77717 3.38198 -11.3345 -48.3175 -6.7772 -48.3176 -53.24 GPRESSAVG: 1813600 107.68 7.22972 -8.08074 4.83529 -10.8605 -46.8961 -6.24307 -49.1481 -53.9757 TIMING: 1813600 CPU: 5258.07, 0.00286674/step Wall: 5258.07, 0.00286674/step, 2.53739 hours remaining, 208.207031 MB of memory in use. ENERGY: 1813600 744.9941 2124.3212 1932.2034 110.9271 -206347.2281 17791.7093 0.0000 0.0000 34255.7683 -149387.3046 299.1641 -183643.0729 -149296.5719 298.8663 -21.9389 7.2285 557656.4394 14.2980 14.2811 PRESSURE: 1813800 -53.6121 -0.925776 -120.252 -0.926531 -341.717 -160.357 -120.254 -160.36 -140.392 GPRESSURE: 1813800 -50.7765 -0.979885 -79.9805 -5.03811 -223.152 -75.2585 -108.956 -209.494 -165.17 PRESSAVG: 1813800 58.007 37.2574 -79.3547 37.2574 -91.8641 10.1647 -79.3548 10.1646 50.647 GPRESSAVG: 1813800 58.0241 33.8976 -77.3279 38.8746 -91.6712 10.9513 -79.6431 10.3332 50.5875 TIMING: 1813800 CPU: 5258.64, 0.00287705/step Wall: 5258.64, 0.00287705/step, 2.54635 hours remaining, 208.207031 MB of memory in use. ENERGY: 1813800 743.9763 2120.3641 1995.9239 113.2366 -206148.2688 17707.1108 0.0000 0.0000 34003.8285 -149463.8285 296.9639 -183467.6570 -149364.5906 299.1982 -178.5735 -146.3663 558408.4187 5.5966 5.6468 PRESSURE: 1814000 183.433 154.493 60.526 154.494 265.862 -131.076 60.525 -131.076 83.0137 GPRESSURE: 1814000 193.503 153.205 12.1877 124.097 335.174 -75.8115 8.85834 -83.4554 93.1606 PRESSAVG: 1814000 -29.1434 24.9292 -11.0396 24.9292 -9.11655 -10.9831 -11.0396 -10.9832 63.2625 GPRESSAVG: 1814000 -30.2403 27.4729 -14.0863 21.993 -8.32393 -11.0567 -10.1542 -11.1643 64.2044 TIMING: 1814000 CPU: 5259.22, 0.00288038/step Wall: 5259.22, 0.00288038/step, 2.54914 hours remaining, 208.207031 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: 1814000 735.8527 2086.8767 1955.1926 105.3566 -206418.1074 17883.2055 0.0000 0.0000 34403.7155 -149247.9078 300.4562 -183651.6233 -149151.3448 299.4826 177.4362 207.2791 556339.9363 8.3342 8.5467 PRESSURE: 1814200 89.2711 -27.3437 2.19868 -27.3428 36.7018 -45.2976 2.19795 -45.2989 -47.3522 GPRESSURE: 1814200 102.5 35.964 179.531 -11.8312 39.5093 -87.0015 -84.9597 -41.1432 33.3123 PRESSAVG: 1814200 -13.4719 74.7975 49.8715 74.7974 29.3683 -60.0581 49.8715 -60.0582 -15.1439 GPRESSAVG: 1814200 -13.117 73.2607 51.5921 78.2878 29.2204 -59.1895 47.8432 -58.4163 -15.7023 TIMING: 1814200 CPU: 5259.8, 0.00290803/step Wall: 5259.8, 0.00290803/step, 2.57344 hours remaining, 208.207031 MB of memory in use. ENERGY: 1814200 759.6236 2074.3000 1973.4414 116.2692 -206178.5833 17864.1650 0.0000 0.0000 34137.4583 -149253.3259 298.1309 -183390.7842 -149149.6150 300.0120 26.2069 58.4406 556064.0167 0.2508 0.1337 PRESSURE: 1814400 46.8866 146.55 -56.3325 146.55 -103.257 123.974 -56.3317 123.974 -11.6055 GPRESSURE: 1814400 94.5129 141.804 -111.217 104.504 -91.2174 110.217 -70.9035 69.0324 31.2109 PRESSAVG: 1814400 -43.5605 15.2511 13.0098 15.2511 41.5712 -57.5833 13.0097 -57.5833 -18.2791 GPRESSAVG: 1814400 -43.5554 15.3751 13.4691 15.0524 41.9246 -58.9559 14.2896 -58.9968 -18.55 TIMING: 1814400 CPU: 5260.38, 0.00290314/step Wall: 5260.38, 0.00290314/step, 2.56895 hours remaining, 208.207031 MB of memory in use. ENERGY: 1814400 736.5593 2106.4510 1943.6748 117.3865 -206115.3305 17769.2447 0.0000 0.0000 34342.2158 -149099.7985 299.9191 -183442.0143 -149002.8852 299.1212 -22.6585 11.5021 558122.9007 -6.7561 -6.7269 PRESSURE: 1814600 -296.065 -83.3524 -59.6351 -83.3533 -116.419 8.92275 -59.6348 8.92372 -477.333 GPRESSURE: 1814600 -227.406 36.7709 -41.8034 -146.623 -111.788 -34.609 -87.5355 77.762 -434.709 PRESSAVG: 1814600 4.33447 -38.664 -31.4465 -38.6641 47.8316 10.1793 -31.4464 10.1793 -35.1242 GPRESSAVG: 1814600 5.12197 -38.8578 -32.8397 -40.0976 47.0965 10.4535 -31.511 10.7681 -34.9028 TIMING: 1814600 CPU: 5260.96, 0.00290281/step Wall: 5260.96, 0.00290281/step, 2.56851 hours remaining, 208.207031 MB of memory in use. ENERGY: 1814600 789.0221 2101.0344 1949.0457 117.1987 -205689.7525 17352.3643 0.0000 0.0000 34094.7186 -149286.3687 297.7577 -183381.0873 -149192.2797 298.9816 -296.6054 -257.9678 558816.1152 5.6806 5.7719 PRESSURE: 1814800 -74.8538 196.444 16.448 196.444 -413.816 -190.984 16.4475 -190.983 60.0748 GPRESSURE: 1814800 -25.4507 190.728 -11.3147 186.158 -418.183 -140.761 104.238 -190.504 110.296 PRESSAVG: 1814800 -9.49462 5.54476 2.7622 5.54474 -53.0469 -44.7688 2.76217 -44.7687 18.7862 GPRESSAVG: 1814800 -10.1317 5.03421 3.7668 5.99118 -52.9449 -44.9698 2.05031 -44.8678 18.9401 TIMING: 1814800 CPU: 5261.54, 0.0028929/step Wall: 5261.54, 0.0028929/step, 2.55958 hours remaining, 208.207031 MB of memory in use. ENERGY: 1814800 749.7594 2147.2198 1939.6000 121.0704 -206229.7305 17647.3852 0.0000 0.0000 34328.6584 -149296.0374 299.8007 -183624.6958 -149204.6709 299.1942 -142.8651 -111.1126 557668.9988 -14.5851 -14.7122 PRESSURE: 1815000 255.835 49.5246 117.206 49.5247 0.0758099 104.905 117.206 104.906 54.603 GPRESSURE: 1815000 260.589 -18.1944 166.244 72.5553 71.3801 146.907 28.8613 153.584 90.3596 PRESSAVG: 1815000 25.0387 25.8174 -21.5324 25.8174 -12.404 -35.6212 -21.5324 -35.6213 -11.6677 GPRESSAVG: 1815000 24.3683 26.4492 -21.4018 25.8619 -12.1889 -33.9974 -23.1197 -37.034 -11.3835 TIMING: 1815000 CPU: 5262.12, 0.00289995/step Wall: 5262.12, 0.00289995/step, 2.56565 hours remaining, 208.207031 MB of memory in use. ENERGY: 1815000 786.5923 2066.5978 1962.8640 112.8763 -206791.4344 18135.3895 0.0000 0.0000 34504.8370 -149222.2776 301.3393 -183727.1146 -149130.5716 299.9735 103.5046 140.7764 555990.0776 0.3223 0.2653 PRESSURE: 1815200 -222.891 -162.48 -143.219 -162.48 -137.632 -22.0739 -143.221 -22.0745 -25.6011 GPRESSURE: 1815200 -169.219 -242.759 -119.34 -43.623 -96.1049 -2.13477 -142.09 -47.0215 -26.2051 PRESSAVG: 1815200 16.3159 -2.01464 -22.0642 -2.01473 0.954696 -39.2087 -22.0642 -39.2086 14.9595 GPRESSAVG: 1815200 17.3652 -2.04019 -24.0548 -2.84991 1.15427 -41.7229 -20.3195 -37.9039 13.9228 TIMING: 1815200 CPU: 5262.7, 0.00289694/step Wall: 5262.7, 0.00289694/step, 2.56283 hours remaining, 208.207031 MB of memory in use. ENERGY: 1815200 757.6628 2168.3744 1948.9719 132.1523 -205983.6625 17530.7011 0.0000 0.0000 34303.4564 -149142.3437 299.5806 -183445.8001 -149047.0528 299.8800 -128.7080 -97.1763 556724.8822 10.7434 10.8141 PRESSURE: 1815400 24.2588 119.73 -15.6386 119.73 48.3053 -22.9701 -15.6378 -22.9698 -24.2331 GPRESSURE: 1815400 92.8057 87.1555 -19.5105 227.783 79.4011 26.0336 2.01025 -72.8281 -31.7087 PRESSAVG: 1815400 -45.8168 11.2457 -2.86313 11.2458 48.6113 -37.6721 -2.8632 -37.6722 1.92504 GPRESSAVG: 1815400 -46.3548 12.1461 -1.2666 13.1569 48.0791 -35.9815 -5.81335 -38.6906 3.10849 TIMING: 1815400 CPU: 5263.29, 0.00292422/step Wall: 5263.29, 0.00292422/step, 2.5868 hours remaining, 208.207031 MB of memory in use. ENERGY: 1815400 730.3412 2149.1845 1975.5023 110.7159 -206273.3435 17817.5185 0.0000 0.0000 34542.5281 -148947.5531 301.6685 -183490.0812 -148856.0834 300.4757 16.1103 46.8327 556852.6552 1.5732 1.6109 PRESSURE: 1815600 192.688 200.775 102.456 200.774 -9.89657 54.5515 102.455 54.5514 -8.88424 GPRESSURE: 1815600 171.97 213.326 66.8806 165.652 46.7871 113.588 164.528 73.4278 54.9539 PRESSAVG: 1815600 44.7998 -6.02076 -41.068 -6.02065 -40.1747 -3.36214 -41.068 -3.36208 18.6709 GPRESSAVG: 1815600 45.3383 -6.14667 -40.6611 -7.55643 -40.2979 -4.77442 -38.1247 -3.43584 18.21 TIMING: 1815600 CPU: 5263.87, 0.00293987/step Wall: 5263.87, 0.00293987/step, 2.60048 hours remaining, 208.207031 MB of memory in use. ENERGY: 1815600 759.5812 2095.0599 1963.6790 120.1237 -206043.2216 17679.3626 0.0000 0.0000 34353.1587 -149072.2566 300.0147 -183425.4153 -148975.0209 300.3567 57.9691 91.2370 557507.7181 7.7653 7.7501 PRESSURE: 1815800 -37.8382 51.9969 -14.0865 51.9961 142.996 150.56 -14.0875 150.563 128.77 GPRESSURE: 1815800 -26.3174 48.0399 3.92929 88.9579 224.967 124.835 -68.6759 145.442 136.571 PRESSAVG: 1815800 2.02898 27.4836 34.0661 27.4834 11.0838 63.7794 34.0661 63.7795 -33.8971 GPRESSAVG: 1815800 1.90757 27.3153 32.9959 27.8093 11.2688 64.7446 33.0126 65.3093 -33.854 TIMING: 1815800 CPU: 5264.45, 0.00288957/step Wall: 5264.45, 0.00288957/step, 2.55582 hours remaining, 208.207031 MB of memory in use. ENERGY: 1815800 715.9812 2147.4031 1965.4104 123.3998 -206402.9741 18009.1832 0.0000 0.0000 34403.9035 -149037.6929 300.4578 -183441.5964 -148941.9439 299.9136 77.9759 111.7404 556866.6484 -6.9281 -6.8926 PRESSURE: 1816000 -38.7691 32.6974 123.57 32.699 -355.879 5.61603 123.569 5.61792 23.7602 GPRESSURE: 1816000 -11.8531 -24.4313 58.8754 104.699 -263.262 -22.9393 191.057 -4.43895 -4.30648 PRESSAVG: 1816000 1.89884 16.1956 25.7711 16.1956 -21.7712 71.9125 25.7711 71.9126 35.1705 GPRESSAVG: 1816000 2.20682 17.7275 26.0082 14.658 -21.4232 71.0522 25.43 72.0588 33.9896 TIMING: 1816000 CPU: 5265.03, 0.00288368/step Wall: 5265.03, 0.00288368/step, 2.55045 hours remaining, 208.207031 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: 1816000 758.6825 2093.6303 1966.1420 123.7325 -205900.9110 17534.5290 0.0000 0.0000 34489.6649 -148934.5297 301.2068 -183424.1946 -148836.5375 299.9411 -123.6294 -93.1407 557319.4612 5.0994 4.9244 PRESSURE: 1816200 -94.9787 -35.6554 -73.0984 -35.657 60.2849 139.981 -73.0992 139.983 67.6496 GPRESSURE: 1816200 -65.8065 11.5877 -48.7292 -49.2361 93.6658 170.6 -96.8298 97.9627 99.4236 PRESSAVG: 1816200 -2.04559 51.4077 38.1231 51.4077 -18.3069 41.8135 38.123 41.8135 35.7792 GPRESSAVG: 1816200 -3.14729 48.9986 37.8083 53.6425 -17.0076 41.0132 39.3464 41.6482 35.7239 TIMING: 1816200 CPU: 5265.6, 0.00286743/step Wall: 5265.6, 0.00286743/step, 2.53593 hours remaining, 208.207031 MB of memory in use. ENERGY: 1816200 794.6444 2136.2080 1945.4162 115.7947 -205911.1844 17781.2894 0.0000 0.0000 34139.1608 -148998.6709 298.1458 -183137.8317 -148900.3855 300.1302 10.9853 42.4276 555494.2235 5.1422 5.1897 LDB: ============= START OF LOAD BALANCING ============== 5268.98 LDB: ============== END OF LOAD BALANCING =============== 5268.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5268.99 LDB: ============= START OF LOAD BALANCING ============== 5269.28 LDB: Largest compute 4820 load 0.024281 is 20.6% of average load 0.118001 LDB: Average compute 0.001720 is 1.5% of average load 0.118001 LDB: TIME 5269.28 LOAD: AVG 0.118001 MAX 0.179677 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.184 MB LDB: TIME 5269.28 LOAD: AVG 0.118001 MAX 0.179677 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: TIME 5269.28 LOAD: AVG 0.118001 MAX 0.179677 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: ============== END OF LOAD BALANCING =============== 5269.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5269.29 PRESSURE: 1816400 -233.901 -3.45736 45.2886 -3.45753 -96.2559 132.862 45.2887 132.862 93.9209 GPRESSURE: 1816400 -188.371 -1.47199 90.3862 14.2138 -107.076 116.305 31.648 193.867 145.217 PRESSAVG: 1816400 -20.1595 -19.8545 -50.0476 -19.8544 44.5749 52.8133 -50.0475 52.8132 -44.9948 GPRESSAVG: 1816400 -19.0176 -19.654 -48.7895 -21.1906 43.7496 52.8571 -50.166 55.5282 -44.5913 TIMING: 1816400 CPU: 5266.19, 0.00293437/step Wall: 5266.19, 0.00293437/step, 2.59496 hours remaining, 210.910156 MB of memory in use. ENERGY: 1816400 729.2489 2099.3310 1961.5747 116.9651 -205595.0504 17506.0005 0.0000 0.0000 34239.2239 -148942.7063 299.0197 -183181.9302 -148845.8444 300.2686 -78.7455 -50.0767 557527.9588 -6.8598 -6.6197 PRESSURE: 1816600 -66.3518 15.6381 93.4499 15.6371 263.852 -35.5257 93.4491 -35.5266 43.935 GPRESSURE: 1816600 -23.4236 -20.4509 63.7123 47.8664 331.814 6.86298 95.2981 -67.1886 33.9576 PRESSAVG: 1816600 26.3456 -32.0689 15.5351 -32.0689 -13.2395 -6.06178 15.5351 -6.06191 1.38929 GPRESSAVG: 1816600 25.8327 -31.149 12.872 -33.4261 -13.0136 -4.37004 16.3406 -9.01097 2.0915 TIMING: 1816600 CPU: 5266.77, 0.00287978/step Wall: 5266.77, 0.00287978/step, 2.54653 hours remaining, 211.113281 MB of memory in use. ENERGY: 1816600 757.8013 2109.7907 1980.4791 114.2188 -206229.2774 17831.6040 0.0000 0.0000 34434.9969 -149000.3865 300.7294 -183435.3834 -148902.1758 300.1568 80.4784 114.1159 555936.7775 4.8318 4.9702 PRESSURE: 1816800 -47.2079 91.383 -12.4177 91.3828 13.9468 35.4645 -12.418 35.4634 -147.304 GPRESSURE: 1816800 -40.0599 107.744 -33.8748 40.4943 44.9547 42.8564 -23.903 -4.74117 -98.7514 PRESSAVG: 1816800 -47.4937 44.9372 -40.6489 44.9371 26.2788 21.4991 -40.6488 21.4991 21.1079 GPRESSAVG: 1816800 -46.5219 45.7157 -39.5357 45.5169 25.7269 22.8512 -42.8777 20.7186 20.7807 TIMING: 1816800 CPU: 5267.34, 0.00288536/step Wall: 5267.34, 0.00288536/step, 2.5513 hours remaining, 211.113281 MB of memory in use. ENERGY: 1816800 709.6574 2104.8110 1947.7544 114.1059 -206154.3897 17712.5713 0.0000 0.0000 34537.5379 -149027.9516 301.6249 -183565.4896 -148923.8485 300.0880 -60.1884 -31.2855 557510.3913 -0.0357 -0.0048 PRESSURE: 1817000 -11.6424 -18.5302 121.857 -18.5314 67.1141 -107.91 121.856 -107.911 87.7773 GPRESSURE: 1817000 31.1146 -43.4477 75.3489 14.7076 95.3637 -65.0625 90.8187 -56.9546 123.054 PRESSAVG: 1817000 36.6461 0.653117 10.1934 0.653104 -50.1782 16.4569 10.1935 16.4569 33.091 GPRESSAVG: 1817000 36.6536 -0.409586 9.3366 0.477372 -50.2345 16.6232 11.0326 16.84 33.0215 TIMING: 1817000 CPU: 5267.92, 0.00287916/step Wall: 5267.92, 0.00287916/step, 2.54566 hours remaining, 211.113281 MB of memory in use. ENERGY: 1817000 751.3585 2088.5534 1948.6109 105.0951 -206093.5194 17744.8972 0.0000 0.0000 34256.8616 -149198.1428 299.1737 -183455.0044 -149107.8261 299.9104 47.7497 83.1773 557638.0120 6.5196 6.4802 PRESSURE: 1817200 127.113 -140.597 126.965 -140.597 134.175 178.347 126.966 178.348 -98.9114 GPRESSURE: 1817200 102.185 -131.494 177.45 -130.282 159.917 75.5281 38.7076 202.121 -13.2488 PRESSAVG: 1817200 3.28508 -0.576294 41.5775 -0.576237 -13.1121 18.8976 41.5775 18.8976 50.923 GPRESSAVG: 1817200 3.30258 -0.774188 40.9272 -0.497461 -12.6038 17.1935 42.6664 18.874 50.2718 TIMING: 1817200 CPU: 5268.5, 0.00290034/step Wall: 5268.5, 0.00290034/step, 2.56423 hours remaining, 211.113281 MB of memory in use. ENERGY: 1817200 740.4086 2001.2798 1986.1539 123.7224 -206048.5666 17688.6473 0.0000 0.0000 34331.0735 -149177.2811 299.8218 -183508.3546 -149080.6939 298.9224 54.1256 82.9511 557646.5679 13.6987 13.6569 PRESSURE: 1817400 180.999 137.846 -64.3762 137.847 5.31795 -143.605 -64.3753 -143.604 171.697 GPRESSURE: 1817400 242.218 142.087 -2.71439 137.205 17.1566 -146.867 -27.26 -127.814 185.282 PRESSAVG: 1817400 22.7662 42.8551 10.1309 42.8551 -13.8412 -2.14084 10.131 -2.14092 9.57943 GPRESSAVG: 1817400 21.9825 41.1196 14.5557 42.7487 -13.147 0.192562 8.21022 -3.49015 9.75295 TIMING: 1817400 CPU: 5269.08, 0.0028944/step Wall: 5269.08, 0.0028944/step, 2.55881 hours remaining, 211.113281 MB of memory in use. ENERGY: 1817400 735.8583 2061.5555 1968.3312 115.4940 -206550.5628 18079.5635 0.0000 0.0000 34480.1204 -149109.6399 301.1235 -183589.7604 -149011.2498 299.4945 119.3381 148.2189 557108.9832 6.1681 6.1962 PRESSURE: 1817600 -26.1026 54.8015 58.1472 54.8024 -38.5622 -88.3485 58.147 -88.3473 5.65767 GPRESSURE: 1817600 -6.52039 82.3131 9.63519 39.876 -6.68966 -243.065 30.498 10.9603 66.926 PRESSAVG: 1817600 30.216 -1.19293 0.29626 -1.19289 -70.0513 -7.55882 0.296301 -7.55885 1.3303 GPRESSAVG: 1817600 30.9956 0.383209 -1.57549 -1.4299 -70.7065 -8.36253 0.349457 -8.16597 1.27493 TIMING: 1817600 CPU: 5269.66, 0.0028995/step Wall: 5269.66, 0.0028995/step, 2.56316 hours remaining, 211.113281 MB of memory in use. ENERGY: 1817600 752.7353 2117.7965 1941.0466 118.8933 -205914.8512 17619.0154 0.0000 0.0000 34120.5091 -149244.8550 297.9829 -183365.3641 -149157.3160 299.7555 -19.6690 17.9053 557175.3370 -12.8350 -12.8120 PRESSURE: 1817800 -156.692 -260.793 -29.7905 -260.794 -65.2955 -99.441 -29.7915 -99.4405 -50.6766 GPRESSURE: 1817800 -90.3033 -193.268 -6.59798 -230.609 -10.1368 -113.718 29.7844 -74.4734 -71.3052 PRESSAVG: 1817800 -23.357 24.2264 -0.286946 24.2265 9.5753 28.8331 -0.286938 28.833 -1.95354 GPRESSAVG: 1817800 -23.7399 24.6751 -1.77533 26.5653 9.0838 25.8039 0.14973 31.4708 -2.04262 TIMING: 1817800 CPU: 5270.24, 0.00289451/step Wall: 5270.24, 0.00289451/step, 2.55858 hours remaining, 211.113281 MB of memory in use. ENERGY: 1817800 744.4901 2107.8862 1936.1287 108.2795 -206046.2333 17666.4374 0.0000 0.0000 34185.9001 -149297.1112 298.5540 -183483.0114 -149200.9942 298.5608 -90.8882 -57.2485 557058.5028 -5.2451 -5.5662 PRESSURE: 1818000 -61.8525 17.7108 -78.9506 17.7112 -73.0444 -8.05205 -78.9505 -8.05309 -36.6854 GPRESSURE: 1818000 -33.0069 93.2819 -78.7965 58.2597 -39.757 -27.0497 -131.867 8.99616 1.566 PRESSAVG: 1818000 5.11857 -21.6165 16.6827 -21.6164 33.6872 -7.26439 16.6827 -7.26431 -52.2987 GPRESSAVG: 1818000 4.9592 -23.2796 17.3373 -21.1859 34.4651 -3.52833 16.9201 -9.42313 -53.2604 TIMING: 1818000 CPU: 5270.82, 0.00291368/step Wall: 5270.82, 0.00291368/step, 2.57537 hours remaining, 211.113281 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: 1818000 752.2440 2146.5805 1949.9012 123.2884 -206284.3365 17884.8848 0.0000 0.0000 34160.8887 -149266.5489 298.3355 -183427.4377 -149165.8929 299.2050 -57.1941 -23.7326 557424.5118 -4.4976 -4.6120 PRESSURE: 1818200 -71.4135 139.052 -24.784 139.052 -177.291 2.95559 -24.7828 2.95573 -233.124 GPRESSURE: 1818200 -17.6276 67.6345 -27.7127 165.74 -158.355 91.6992 90.8074 -99.7474 -206.619 PRESSAVG: 1818200 -23.9285 19.9642 -30.2297 19.9642 -9.17445 7.5297 -30.2296 7.52974 56.2692 GPRESSAVG: 1818200 -22.6499 21.3131 -30.5253 18.4379 -11.7259 7.26633 -28.0271 6.12604 57.1614 TIMING: 1818200 CPU: 5271.4, 0.00293012/step Wall: 5271.4, 0.00293012/step, 2.58973 hours remaining, 211.113281 MB of memory in use. ENERGY: 1818200 773.4252 2095.7656 1948.3963 107.5063 -205947.2410 17544.4608 0.0000 0.0000 34375.9288 -149101.7580 300.2135 -183477.6868 -149010.0286 299.2820 -160.6092 -127.5337 557725.1014 7.7221 7.5952 PRESSURE: 1818400 -171.923 -43.6629 -42.8734 -43.6618 -83.4035 -65.3406 -42.8726 -65.3417 -144.167 GPRESSURE: 1818400 -148.735 -72.1709 -17.3687 -21.8464 -37.7106 -30.1434 6.05645 -92.4832 -106.89 PRESSAVG: 1818400 -49.5691 22.3065 -11.3209 22.3065 87.5817 3.21857 -11.3209 3.21856 -39.8423 GPRESSAVG: 1818400 -51.0078 22.6303 -11.5331 21.8203 88.6107 1.11387 -13.6265 6.04023 -39.5575 TIMING: 1818400 CPU: 5271.99, 0.00293243/step Wall: 5271.99, 0.00293243/step, 2.59161 hours remaining, 211.113281 MB of memory in use. ENERGY: 1818400 765.3510 2101.6454 1946.3147 114.9528 -205976.7903 17701.2827 0.0000 0.0000 34249.9160 -149097.3277 299.1130 -183347.2437 -149001.7144 300.0278 -133.1645 -97.7784 557955.9942 -0.6099 -0.6515 PRESSURE: 1818600 -197.034 43.8985 72.6411 43.8977 -90.326 -0.596855 72.6419 -0.595919 -74.2277 GPRESSURE: 1818600 -168.371 97.3124 27.4619 -3.49288 -24.6412 -36.6436 20.489 81.1647 -79.5495 PRESSAVG: 1818600 -0.458396 -34.8261 13.1487 -34.8261 -45.3255 1.40878 13.1487 1.40876 25.0417 GPRESSAVG: 1818600 -1.31947 -33.858 13.1676 -35.1989 -43.9881 4.44822 14.9583 -0.428897 24.6267 TIMING: 1818600 CPU: 5272.57, 0.00289452/step Wall: 5272.57, 0.00289452/step, 2.55796 hours remaining, 211.113281 MB of memory in use. ENERGY: 1818600 769.7491 2077.2277 1958.7985 122.5060 -205760.7344 17598.7561 0.0000 0.0000 34091.9272 -149141.7699 297.7333 -183233.6971 -149044.5264 299.8024 -120.5292 -90.8538 559005.1298 -6.9141 -6.8936 PRESSURE: 1818800 -138.94 28.6727 3.83799 28.6738 48.1224 -44.9637 3.83713 -44.9653 -198.919 GPRESSURE: 1818800 -112.616 101.448 3.58466 -60.8904 97.675 -8.89007 51.5443 26.0192 -171.853 PRESSAVG: 1818800 -26.486 -19.2909 -9.54396 -19.2909 -28.9011 -17.257 -9.54395 -17.2571 1.11251 GPRESSAVG: 1818800 -25.0678 -19.3921 -9.15314 -19.9605 -29.5081 -19.4456 -10.1012 -15.7844 0.616713 TIMING: 1818800 CPU: 5273.15, 0.00289101/step Wall: 5273.15, 0.00289101/step, 2.55469 hours remaining, 211.113281 MB of memory in use. ENERGY: 1818800 791.5738 2059.1948 1946.5889 126.6317 -206083.8924 17707.1218 0.0000 0.0000 34237.2711 -149215.5104 299.0026 -183452.7815 -149117.2752 299.1350 -96.5787 -62.2645 559026.4230 -18.0915 -17.9864 PRESSURE: 1819000 103.308 177.164 -145.951 177.163 -90.6976 4.95228 -145.951 4.95174 -20.1297 GPRESSURE: 1819000 123.071 167.893 -199.673 188.272 -39.1686 25.4249 -115.3 -10.7003 15.8987 PRESSAVG: 1819000 -9.63801 -11.6086 15.8125 -11.6086 13.7484 35.972 15.8124 35.9719 -17.885 GPRESSAVG: 1819000 -10.0735 -12.4035 17.76 -9.87291 12.8596 37.1079 14.8331 35.925 -16.7906 TIMING: 1819000 CPU: 5273.73, 0.00289238/step Wall: 5273.73, 0.00289238/step, 2.55574 hours remaining, 211.113281 MB of memory in use. ENERGY: 1819000 760.6257 2076.2729 1998.1782 105.5786 -206500.1884 17921.1344 0.0000 0.0000 34233.7471 -149404.6515 298.9718 -183638.3986 -149316.7389 298.3567 -2.5064 33.2671 556871.5661 -4.5916 -4.6682 PRESSURE: 1819200 118.134 21.501 103.217 21.4997 49.4473 -85.0669 103.217 -85.0678 150.75 GPRESSURE: 1819200 129.554 -57.7061 24.5119 59.3141 115.587 -90.6732 77.8586 -33.403 168.393 PRESSAVG: 1819200 55.4513 34.4422 67.0229 34.4422 -26.9978 14.3057 67.0229 14.3058 -18.4131 GPRESSAVG: 1819200 56.1532 32.4347 66.5794 34.7693 -27.3329 13.1542 67.4753 16.8223 -18.6891 TIMING: 1819200 CPU: 5274.31, 0.00289974/step Wall: 5274.31, 0.00289974/step, 2.56208 hours remaining, 211.285156 MB of memory in use. ENERGY: 1819200 749.4559 2090.5572 1967.8696 113.5599 -206367.8159 17838.7158 0.0000 0.0000 34233.5976 -149374.0599 298.9705 -183607.6574 -149275.7048 299.1662 106.1103 137.8446 555852.3291 3.3468 3.3771 PRESSURE: 1819400 -178.191 -11.4724 15.7128 -11.4733 -260.047 -71.5654 15.7123 -71.5649 63.6067 GPRESSURE: 1819400 -142.287 -36.464 -13.27 2.74596 -214.052 -77.6817 -100.412 -32.7977 66.301 PRESSAVG: 1819400 2.56535 -6.76551 30.1985 -6.76557 -39.2584 55.3278 30.1985 55.3279 44.7412 GPRESSAVG: 1819400 3.25134 -5.4743 32.5736 -8.36377 -38.8073 54.9928 28.5041 55.4804 43.7643 TIMING: 1819400 CPU: 5274.89, 0.00290663/step Wall: 5274.89, 0.00290663/step, 2.56801 hours remaining, 211.285156 MB of memory in use. ENERGY: 1819400 745.3708 2077.7127 1958.3227 120.2099 -205931.7259 17558.8516 0.0000 0.0000 34170.3616 -149300.8966 298.4183 -183471.2582 -149206.4042 299.0890 -124.8770 -96.6790 557054.8455 2.6827 2.7361 PRESSURE: 1819600 -143.823 73.3467 38.3577 73.346 274.779 -57.1774 38.3567 -57.1774 51.5248 GPRESSURE: 1819600 -94.6066 17.5006 -56.1101 -12.7746 271.461 -30.8641 81.0016 -81.2249 96.8987 PRESSAVG: 1819600 -26.913 -7.76481 -39.8766 -7.76476 -16.6712 -6.89748 -39.8767 -6.89741 50.774 GPRESSAVG: 1819600 -28.1196 -4.71 -43.8132 -7.88622 -16.0048 -4.94218 -37.462 -9.20602 51.0088 TIMING: 1819600 CPU: 5275.47, 0.00290194/step Wall: 5275.47, 0.00290194/step, 2.5637 hours remaining, 211.285156 MB of memory in use. ENERGY: 1819600 763.2402 2079.2096 1971.1177 113.1176 -206778.5692 18027.3536 0.0000 0.0000 34459.2870 -149365.2434 300.9415 -183824.5304 -149268.3901 299.0700 60.8271 91.2510 556535.5125 2.3966 2.2948 PRESSURE: 1819800 -188.832 -3.55204 118.559 -3.55113 -256.138 33.7767 118.559 33.7773 -23.7923 GPRESSURE: 1819800 -174.459 1.00797 168.914 -24.1275 -210.69 22.6668 86.5094 71.9579 0.521865 PRESSAVG: 1819800 -41.1974 -58.2575 7.37503 -58.2574 48.3867 13.7742 7.37505 13.7743 -11.4577 GPRESSAVG: 1819800 -40.7962 -61.8952 8.95027 -57.8504 47.0081 13.0707 7.15603 14.4826 -11.2181 TIMING: 1819800 CPU: 5276.05, 0.00291055/step Wall: 5276.05, 0.00291055/step, 2.57114 hours remaining, 211.355469 MB of memory in use. ENERGY: 1819800 741.9579 2097.1474 1941.8596 109.6546 -205830.9737 17493.8988 0.0000 0.0000 34090.5492 -149355.9062 297.7212 -183446.4554 -149258.3499 299.0102 -156.2541 -128.2091 557733.5774 -1.4228 -1.6687 PRESSURE: 1820000 -356.813 -145.741 51.1661 -145.74 -295.374 42.6318 51.1661 42.6305 -416.805 GPRESSURE: 1820000 -305.455 -107.863 96.3946 -120.156 -268.175 -7.77646 75.4087 105.575 -410.87 PRESSAVG: 1820000 -74.6577 -4.13307 31.2074 -4.13308 2.9895 15.4837 31.2073 15.4836 45.3256 GPRESSAVG: 1820000 -74.8566 -1.44828 30.4304 -4.06499 3.03806 14.9695 30.562 15.726 46.1073 TIMING: 1820000 CPU: 5276.64, 0.00292605/step Wall: 5276.64, 0.00292605/step, 2.58468 hours remaining, 211.355469 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: 1820000 747.3608 2071.1579 1970.2320 119.5233 -205810.3431 17361.5556 0.0000 0.0000 34158.5405 -149381.9729 298.3150 -183540.5134 -149279.7398 298.2633 -356.3304 -328.1666 559255.6847 -8.7809 -8.5704 PRESSURE: 1820200 82.2602 2.03554 27.6428 2.03613 -55.4847 -64.1206 27.6444 -64.1201 -94.9383 GPRESSURE: 1820200 98.4544 -9.56491 61.0256 55.9475 -2.97862 -52.2942 2.62889 -41.3904 -58.1833 PRESSAVG: 1820200 -3.67379 -7.03656 33.2856 -7.03658 -27.6238 -70.5109 33.2856 -70.5109 14.3558 GPRESSAVG: 1820200 -4.04262 -8.64326 33.3944 -6.91329 -28.0877 -70.5021 34.4212 -70.2049 14.7189 TIMING: 1820200 CPU: 5277.22, 0.00291879/step Wall: 5277.22, 0.00291879/step, 2.5781 hours remaining, 211.355469 MB of memory in use. ENERGY: 1820200 717.7968 2090.9050 1952.5153 114.4804 -206114.4827 17805.1658 0.0000 0.0000 34135.6024 -149298.0170 298.1147 -183433.6195 -149199.9434 298.8958 -22.7209 12.4308 557988.8850 -5.6473 -5.8038 LDB: ============= START OF LOAD BALANCING ============== 5280.61 LDB: ============== END OF LOAD BALANCING =============== 5280.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5280.61 LDB: ============= START OF LOAD BALANCING ============== 5280.9 LDB: Largest compute 4800 load 0.022057 is 18.7% of average load 0.117858 LDB: Average compute 0.001719 is 1.5% of average load 0.117858 LDB: TIME 5280.9 LOAD: AVG 0.117858 MAX 0.180225 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.922 MB LDB: TIME 5280.9 LOAD: AVG 0.117858 MAX 0.180225 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.129 MB LDB: TIME 5280.9 LOAD: AVG 0.117858 MAX 0.180225 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5280.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5280.91 PRESSURE: 1820400 -63.0623 151.606 -146.42 151.606 -146.266 12.9618 -146.42 12.9617 127.558 GPRESSURE: 1820400 -38.5955 135.573 -196.943 188.744 -94.7243 -19.5662 -107.327 173.424 148.335 PRESSAVG: 1820400 -32.9618 52.086 -27.8012 52.086 -92.8651 18.0963 -27.8013 18.0964 111.079 GPRESSAVG: 1820400 -32.8996 54.4268 -29.1114 52.1729 -92.1652 16.6103 -28.916 20.347 110.032 TIMING: 1820400 CPU: 5277.81, 0.00296706/step Wall: 5277.81, 0.00296706/step, 2.62057 hours remaining, 210.136719 MB of memory in use. ENERGY: 1820400 738.1264 2110.9966 1961.5821 120.6350 -205671.8918 17625.1933 0.0000 0.0000 33923.2254 -149192.1329 296.2600 -183115.3584 -149088.2213 299.0963 -27.2569 5.0051 558380.3846 -4.9158 -5.0110 PRESSURE: 1820600 -276.51 -102.842 -122.614 -102.842 -49.8446 21.3986 -122.614 21.3993 -338.249 GPRESSURE: 1820600 -262.589 -60.9434 -81.2502 -195.517 -28.6997 -58.4288 -121.758 82.4307 -279.73 PRESSAVG: 1820600 -44.4327 -38.6384 -48.9692 -38.6384 -28.1135 -7.40642 -48.9691 -7.4064 41.3781 GPRESSAVG: 1820600 -44.4317 -41.8304 -47.9577 -38.3672 -27.7577 -6.13766 -49.1302 -9.29859 41.2771 TIMING: 1820600 CPU: 5278.39, 0.00290174/step Wall: 5278.39, 0.00290174/step, 2.56272 hours remaining, 210.460938 MB of memory in use. ENERGY: 1820600 788.8062 2145.3599 1959.7774 119.5658 -206009.9057 17650.4331 0.0000 0.0000 34223.9917 -149121.9717 298.8866 -183345.9633 -149023.8460 299.2617 -221.5345 -190.3396 557104.5567 -10.3894 -10.3041 PRESSURE: 1820800 -322.566 -27.6285 -44.6274 -27.6286 -124.587 -149.374 -44.6278 -149.372 100.534 GPRESSURE: 1820800 -244.476 -110.19 -60.6161 -43.5663 -107.988 -128.757 -79.5245 -149.711 96.4974 PRESSAVG: 1820800 -34.75 28.2457 21.507 28.2457 -22.9982 -23.7393 21.507 -23.7393 66.6049 GPRESSAVG: 1820800 -35.1359 30.1599 20.3536 27.9075 -22.9836 -21.7586 21.832 -25.3903 67.3083 TIMING: 1820800 CPU: 5278.97, 0.00286824/step Wall: 5278.97, 0.00286824/step, 2.53297 hours remaining, 210.527344 MB of memory in use. ENERGY: 1820800 720.0786 2081.0447 1950.2332 124.8742 -205664.4436 17419.5835 0.0000 0.0000 34176.5633 -149192.0660 298.4724 -183368.6293 -149096.6444 299.7483 -115.5395 -85.3223 557870.0475 2.9522 3.0629 PRESSURE: 1821000 65.0722 -17.8 -163.518 -17.7999 -309.582 11.1881 -163.518 11.187 -72.5716 GPRESSURE: 1821000 113.467 -75.6441 -212.704 -75.5063 -249.227 -10.9158 -180.37 58.9892 -66.7631 PRESSAVG: 1821000 -34.7302 7.8859 -68.9044 7.88592 -53.9929 -4.20046 -68.9045 -4.20044 35.7692 GPRESSAVG: 1821000 -34.4454 6.05619 -69.1373 8.76461 -54.2552 -6.61611 -68.1759 -2.67977 35.7014 TIMING: 1821000 CPU: 5279.54, 0.00288513/step Wall: 5279.54, 0.00288513/step, 2.54773 hours remaining, 210.527344 MB of memory in use. ENERGY: 1821000 745.4625 2104.6508 1946.9543 105.7272 -206132.9861 17682.2756 0.0000 0.0000 34194.7131 -149353.2024 298.6309 -183547.9155 -149250.4959 299.0587 -105.6938 -67.5077 557369.4366 -17.6513 -17.6664 PRESSURE: 1821200 -92.5009 -63.7844 84.2215 -63.7841 -178.755 10.8197 84.2221 10.8208 -48.0304 GPRESSURE: 1821200 -94.0188 -53.7774 87.2534 -54.0069 -108.462 -17.3681 118.309 33.1763 -21.1939 PRESSAVG: 1821200 -38.064 7.68445 -0.66486 7.68437 24.7438 15.4741 -0.664893 15.474 61.5842 GPRESSAVG: 1821200 -38.4612 6.84197 -1.00951 7.43174 24.1139 15.2729 -1.21933 16.6053 62.7165 TIMING: 1821200 CPU: 5280.12, 0.00287393/step Wall: 5280.12, 0.00287392/step, 2.53768 hours remaining, 210.527344 MB of memory in use. ENERGY: 1821200 727.3002 2088.7501 1955.5329 125.8281 -206127.9454 17608.6555 0.0000 0.0000 34309.1432 -149312.7353 299.6303 -183621.8785 -149212.2625 299.9011 -106.4288 -74.5582 556721.3511 16.0880 16.1231 PRESSURE: 1821400 -24.145 -83.2534 190.538 -83.2547 105.57 140.14 190.538 140.139 180.21 GPRESSURE: 1821400 22.7589 -89.4303 115.706 -113.384 168.068 124.434 262.582 108.313 164.119 PRESSAVG: 1821400 -48.6487 -68.3109 6.22593 -68.3109 52.3039 -0.441708 6.22598 -0.441686 11.973 GPRESSAVG: 1821400 -48.3604 -65.4382 6.61952 -69.4386 52.0137 0.88366 4.99871 -3.62163 12.0385 TIMING: 1821400 CPU: 5280.69, 0.00286355/step Wall: 5280.69, 0.00286355/step, 2.52835 hours remaining, 210.527344 MB of memory in use. ENERGY: 1821400 756.2320 2124.0482 1956.6157 111.9102 -206606.7616 18018.9486 0.0000 0.0000 34390.1541 -149248.8529 300.3378 -183639.0070 -149157.6075 299.2030 87.2117 118.3154 557041.6186 5.2094 5.2306 PRESSURE: 1821600 148.959 81.4096 59.2364 81.4087 -98.9405 75.5571 59.237 75.5563 -157.501 GPRESSURE: 1821600 199.647 107.041 69.7005 -2.6566 -92.1464 -18.2431 107.359 91.8366 -118.495 PRESSAVG: 1821600 4.56918 17.2323 9.40382 17.2323 -3.66944 37.322 9.40378 37.322 2.50492 GPRESSAVG: 1821600 4.62872 17.8825 10.1307 16.2137 -3.90155 36.7519 10.1095 37.2718 2.55105 TIMING: 1821600 CPU: 5281.26, 0.0028657/step Wall: 5281.26, 0.0028657/step, 2.5301 hours remaining, 210.527344 MB of memory in use. ENERGY: 1821600 739.5044 2076.2923 1946.1826 115.0687 -206148.4098 17728.3876 0.0000 0.0000 34334.1310 -149208.8431 299.8485 -183542.9741 -149112.6804 299.4340 -35.8277 -3.6649 557038.8744 1.1349 1.0927 PRESSURE: 1821800 -181.479 -138.153 72.1809 -138.152 -84.7932 -133.214 72.1804 -133.214 -142.799 GPRESSURE: 1821800 -92.0014 -124.207 104.034 -183.618 -62.315 -147.8 86.4091 -99.4422 -170.967 PRESSAVG: 1821800 33.363 9.81629 5.01106 9.81627 -41.4933 13.7292 5.01109 13.7291 16.0064 GPRESSAVG: 1821800 33.7868 9.6841 3.48531 10.2859 -40.7134 14.5329 5.50302 13.5913 15.0101 TIMING: 1821800 CPU: 5281.84, 0.00287107/step Wall: 5281.84, 0.00287107/step, 2.53468 hours remaining, 210.527344 MB of memory in use. ENERGY: 1821800 765.5595 2116.3193 1933.0899 116.1702 -205908.7175 17561.2273 0.0000 0.0000 34056.3127 -149360.0387 297.4222 -183416.3514 -149252.2158 299.4614 -136.3570 -108.4277 556872.7670 2.6254 2.6945 PRESSURE: 1822000 108.182 44.1898 -53.7026 44.19 54.0133 -95.1706 -53.7035 -95.1704 65.3978 GPRESSURE: 1822000 135.375 113.158 -66.2017 84.972 53.6739 -95.6932 32.4652 -85.4119 135.471 PRESSAVG: 1822000 -4.27055 -21.3632 -41.3916 -21.3633 13.3608 -15.5581 -41.3917 -15.5582 -27.0067 GPRESSAVG: 1822000 -3.38479 -23.2875 -40.1823 -19.8793 12.8461 -17.3054 -42.8991 -14.0681 -27.1874 TIMING: 1822000 CPU: 5282.42, 0.00289656/step Wall: 5282.42, 0.00289656/step, 2.55702 hours remaining, 210.527344 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: 1822000 784.7925 2081.9607 1938.6633 126.3288 -206170.1049 17788.4175 0.0000 0.0000 34184.6084 -149265.3337 298.5427 -183449.9421 -149167.4944 299.4440 75.8644 108.1733 555799.0443 -5.9722 -5.9087 PRESSURE: 1822200 -126.002 142.116 103.062 142.115 -30.6282 -83.2688 103.062 -83.2703 161.134 GPRESSURE: 1822200 -146.316 148.618 80.3034 144.905 80.3115 -63.2831 73.8896 -115.254 181.879 PRESSAVG: 1822200 -28.25 24.1656 37.8764 24.1656 12.461 21.189 37.8764 21.1891 7.34915 GPRESSAVG: 1822200 -29.5747 24.1077 38.7616 24.8038 13.1739 23.5834 38.1555 20.0382 7.99449 TIMING: 1822200 CPU: 5283, 0.00290189/step Wall: 5283, 0.00290189/step, 2.56156 hours remaining, 210.527344 MB of memory in use. ENERGY: 1822200 753.7592 2123.4869 1964.8845 99.0478 -206332.1719 17891.0966 0.0000 0.0000 34083.7907 -149416.1063 297.6622 -183499.8970 -149321.0913 299.4686 1.5011 38.6248 557218.2314 -2.8133 -2.8021 PRESSURE: 1822400 -165.338 4.6787 -121.417 4.67779 -90.7431 -45.0995 -121.417 -45.0992 -134.795 GPRESSURE: 1822400 -99.8665 47.8029 -79.2753 32.5378 20.396 -16.0841 -98.2126 -40.8213 -203.37 PRESSAVG: 1822400 -14.2194 20.4462 -4.05015 20.4462 -0.56812 -3.66736 -4.05019 -3.6674 -39.6819 GPRESSAVG: 1822400 -14.6958 21.7631 -4.64815 18.6349 -0.454256 -5.28069 -3.19291 -2.24634 -39.4142 TIMING: 1822400 CPU: 5283.58, 0.00290758/step Wall: 5283.58, 0.00290758/step, 2.56643 hours remaining, 210.527344 MB of memory in use. ENERGY: 1822400 733.5224 2065.6050 1969.7665 119.8021 -206200.7628 17722.7719 0.0000 0.0000 34040.8978 -149548.3972 297.2876 -183589.2950 -149458.2061 298.6099 -130.2920 -94.2802 557381.9563 -18.1565 -18.1881 PRESSURE: 1822600 -201.961 -50.0427 -150.894 -50.043 -94.2321 246.47 -150.893 246.466 -364.527 GPRESSURE: 1822600 -153.347 -31.0067 -149.968 -77.9848 -131.353 305.769 -174.339 249.681 -279.939 PRESSAVG: 1822600 -8.84848 -22.9689 -59.8589 -22.9688 26.7565 29.95 -59.8588 29.95 -10.2538 GPRESSAVG: 1822600 -8.71109 -23.3012 -57.5406 -22.3695 26.0719 30.7038 -60.9187 29.6669 -9.01852 TIMING: 1822600 CPU: 5284.16, 0.00290482/step Wall: 5284.16, 0.00290482/step, 2.56382 hours remaining, 210.527344 MB of memory in use. ENERGY: 1822600 771.2713 2089.3245 1962.1296 117.9146 -206393.8151 17625.5575 0.0000 0.0000 34117.9336 -149709.6840 297.9604 -183827.6176 -149612.2109 298.2605 -220.2399 -188.2127 557120.4671 2.5514 2.7808 PRESSURE: 1822800 -164.388 244.746 -39.9982 244.746 -99.6839 110.583 -39.9977 110.583 -172.367 GPRESSURE: 1822800 -135.162 277.509 -127.031 309.413 -28.3676 218.326 -11.2365 79.6663 -175.429 PRESSAVG: 1822800 14.3171 -17.3267 16.9045 -17.3268 23.3113 26.2603 16.9044 26.2603 1.99521 GPRESSAVG: 1822800 13.8871 -16.3125 12.5914 -17.7588 23.9628 25.3563 18.8241 27.2427 1.36907 TIMING: 1822800 CPU: 5284.74, 0.00291583/step Wall: 5284.74, 0.00291583/step, 2.57338 hours remaining, 210.527344 MB of memory in use. ENERGY: 1822800 761.4639 2072.2679 1944.8250 105.1230 -206560.0907 17791.1586 0.0000 0.0000 34065.7728 -149819.4794 297.5049 -183885.2523 -149720.9303 299.1636 -145.4797 -112.9864 556793.4680 13.2079 13.0730 PRESSURE: 1823000 -101.498 -4.29978 -66.0155 -4.29827 2.95942 52.55 -66.0166 52.5518 -148.394 GPRESSURE: 1823000 -30.1381 -100.843 -88.4128 62.8075 -13.3989 111.49 13.0844 -24.6513 -105.547 PRESSAVG: 1823000 39.73 21.5599 6.72579 21.5599 18.1879 -4.63795 6.7258 -4.63804 -35.4441 GPRESSAVG: 1823000 41.4091 21.0081 8.53491 19.5797 17.7925 -5.78423 7.92613 -5.14517 -36.5633 TIMING: 1823000 CPU: 5285.32, 0.00289702/step Wall: 5285.32, 0.00289702/step, 2.55662 hours remaining, 210.527344 MB of memory in use. ENERGY: 1823000 757.6999 2019.7433 1947.1559 128.6691 -206325.1663 17651.0356 0.0000 0.0000 34187.1452 -149633.7173 298.5648 -183820.8625 -149528.6393 297.7771 -82.3110 -49.6948 555746.6366 7.4913 7.5461 PRESSURE: 1823200 -61.7993 -93.7744 27.4122 -93.773 201.813 61.9897 27.4112 61.9877 -19.9259 GPRESSURE: 1823200 3.34001 -80.9237 -29.3951 -89.4404 209.836 7.01036 -4.97928 25.6357 18.3522 PRESSAVG: 1823200 31.2971 -6.44457 -7.40723 -6.4445 -18.8643 38.7901 -7.40714 38.7902 31.7934 GPRESSAVG: 1823200 29.7648 -3.46799 -7.66992 -3.96558 -17.5327 37.5884 -6.15982 37.6765 31.9036 TIMING: 1823200 CPU: 5285.9, 0.00289906/step Wall: 5285.9, 0.00289906/step, 2.55826 hours remaining, 210.527344 MB of memory in use. ENERGY: 1823200 719.4326 2130.9641 1937.4151 118.1458 -206575.0512 17885.2362 0.0000 0.0000 34215.9052 -149567.9521 298.8160 -183783.8573 -149468.5176 298.6896 40.0291 77.1761 556305.8443 14.7421 14.7119 PRESSURE: 1823400 30.1211 -66.3644 5.36965 -66.363 36.7315 -130.55 5.3677 -130.55 168.85 GPRESSURE: 1823400 71.0166 -17.2006 39.6638 -21.6064 41.4792 -213.656 -60.1602 -48.7137 217.498 PRESSAVG: 1823400 -32.6619 -21.4579 38.1938 -21.4578 -34.2273 -43.7481 38.1939 -43.7482 27.7698 GPRESSAVG: 1823400 -30.9121 -24.0315 38.3159 -21.418 -35.1935 -43.4765 34.0821 -41.4339 26.9983 TIMING: 1823400 CPU: 5286.48, 0.00290217/step Wall: 5286.48, 0.00290217/step, 2.56084 hours remaining, 210.527344 MB of memory in use. ENERGY: 1823400 716.1670 2083.9757 1926.5400 126.7139 -206983.9568 18253.1470 0.0000 0.0000 34295.1632 -149582.2500 299.5082 -183877.4132 -149487.4609 297.7558 78.5676 109.9981 556290.0225 -13.0398 -13.0358 PRESSURE: 1823600 -314.783 130.987 97.6534 130.988 -164.087 98.2971 97.6544 98.2964 -2.78217 GPRESSURE: 1823600 -316.19 134.806 154.263 146.41 -120.396 123.565 92.679 91.9439 44.7754 PRESSAVG: 1823600 -53.2017 61.7444 64.8216 61.7445 28.2033 -38.5694 64.8216 -38.5693 36.0809 GPRESSAVG: 1823600 -53.4284 60.0477 66.6519 63.4067 27.1034 -35.711 67.1961 -41.1201 37.6841 TIMING: 1823600 CPU: 5287.06, 0.00288528/step Wall: 5287.06, 0.00288528/step, 2.54578 hours remaining, 210.527344 MB of memory in use. ENERGY: 1823600 735.9158 2129.8787 1944.9428 116.9154 -206019.3489 17594.9110 0.0000 0.0000 34017.0306 -149479.7547 297.0792 -183496.7852 -149391.1513 298.5496 -160.5506 -130.6035 558140.9080 3.6942 3.7863 PRESSURE: 1823800 -11.0042 -143.736 6.9521 -143.736 -83.7724 118.378 6.95187 118.379 -68.4924 GPRESSURE: 1823800 1.85061 -53.8122 58.0659 -174.091 -63.6345 126.765 34.0355 72.0232 -6.69378 PRESSAVG: 1823800 37.0756 38.2993 -8.10641 38.2993 -14.5171 23.8885 -8.1064 23.8884 9.99621 GPRESSAVG: 1823800 36.4644 39.1823 -9.18239 35.0261 -12.9239 21.3029 -8.78293 25.8189 9.30669 TIMING: 1823800 CPU: 5287.64, 0.00287871/step Wall: 5287.64, 0.00287871/step, 2.53982 hours remaining, 210.527344 MB of memory in use. ENERGY: 1823800 743.6196 2094.2344 1966.1485 116.4480 -206365.1404 17919.2763 0.0000 0.0000 34111.6284 -149413.7852 297.9053 -183525.4136 -149316.2750 297.9763 -54.4230 -22.8259 558174.1054 10.8516 10.9491 PRESSURE: 1824000 -112.066 205.047 85.2288 205.048 -172.275 18.1085 85.2289 18.108 137.669 GPRESSURE: 1824000 -41.9582 144.755 88.3631 227.148 -110.423 6.41949 136.152 23.5919 98.6768 PRESSAVG: 1824000 -18.7948 24.4216 22.2285 24.4217 -0.839994 -58.8625 22.2284 -58.8625 45.5361 GPRESSAVG: 1824000 -17.7412 23.2799 20.8956 27.1416 -1.74342 -58.1522 21.6526 -58.5363 45.7694 TIMING: 1824000 CPU: 5288.21, 0.00287663/step Wall: 5288.21, 0.00287663/step, 2.53783 hours remaining, 210.527344 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: 1824000 744.6906 2116.0850 1951.8750 110.7980 -206274.8242 17770.4107 0.0000 0.0000 34247.9572 -149333.0077 299.0959 -183580.9648 -149235.0351 299.0523 -48.8907 -17.9016 558006.6709 8.6338 8.7616 PRESSURE: 1824200 99.2487 71.3763 63.3927 71.3775 79.8685 -159.646 63.3923 -159.645 -64.6436 GPRESSURE: 1824200 66.8392 92.4608 77.0167 29.1471 171.871 -18.8547 -15.9106 -227.364 -10.1629 PRESSAVG: 1824200 60.6203 29.768 -27.3146 29.7679 -29.9311 33.8699 -27.3145 33.8699 -35.3088 GPRESSAVG: 1824200 59.7196 29.1193 -26.8499 28.9968 -29.0736 36.7864 -27.347 31.9689 -36.122 TIMING: 1824200 CPU: 5288.79, 0.00287202/step Wall: 5288.79, 0.00287202/step, 2.5336 hours remaining, 210.527344 MB of memory in use. ENERGY: 1824200 751.4392 2103.9227 1937.8286 119.4251 -206672.1716 17990.2490 0.0000 0.0000 34442.2987 -149327.0082 300.7932 -183769.3069 -149225.5546 299.2744 38.1579 76.1823 556109.9226 -1.5398 -1.8253 LDB: ============= START OF LOAD BALANCING ============== 5292.17 LDB: ============== END OF LOAD BALANCING =============== 5292.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5292.17 LDB: ============= START OF LOAD BALANCING ============== 5292.46 LDB: Largest compute 4820 load 0.024164 is 20.5% of average load 0.118057 LDB: Average compute 0.001729 is 1.5% of average load 0.118057 LDB: TIME 5292.46 LOAD: AVG 0.118057 MAX 0.180566 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.902 MB LDB: TIME 5292.46 LOAD: AVG 0.118057 MAX 0.180566 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: TIME 5292.47 LOAD: AVG 0.118057 MAX 0.180566 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5292.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5292.47 PRESSURE: 1824400 -132.867 20.6686 -40.0563 20.6688 -138.177 -92.514 -40.0561 -92.5155 -76.1189 GPRESSURE: 1824400 -124.613 27.8693 -60.479 -30.1794 -93.3409 -158.817 34.197 -38.7125 -28.3358 PRESSAVG: 1824400 33.7277 2.77041 -18.826 2.77052 7.59009 -24.2472 -18.826 -24.2471 -26.9555 GPRESSAVG: 1824400 33.3595 4.72341 -17.1586 2.80994 6.67621 -26.0451 -19.3249 -21.3733 -26.2051 TIMING: 1824400 CPU: 5289.38, 0.00294493/step Wall: 5289.38, 0.00294493/step, 2.59776 hours remaining, 210.214844 MB of memory in use. ENERGY: 1824400 763.0421 2087.6599 1954.7252 106.3903 -206245.0798 17745.8151 0.0000 0.0000 34350.8255 -149236.6217 299.9943 -183587.4472 -149142.8415 299.3573 -115.7211 -82.0966 557724.6546 4.7874 4.6102 PRESSURE: 1824600 -199.799 -8.2064 -23.6631 -8.20675 -248.88 173.422 -23.6624 173.425 -514.556 GPRESSURE: 1824600 -149.837 -26.3554 29.8147 -68.3922 -295.646 116.076 5.82741 182.169 -430.772 PRESSAVG: 1824600 78.1857 -21.8704 -16.4765 -21.8705 48.5235 11.1914 -16.4765 11.1915 -90.9378 GPRESSAVG: 1824600 78.6945 -22.551 -17.4496 -22.3393 48.22 11.8035 -16.4364 8.95347 -91.4261 TIMING: 1824600 CPU: 5289.95, 0.00288773/step Wall: 5289.95, 0.00288773/step, 2.54714 hours remaining, 210.414062 MB of memory in use. ENERGY: 1824600 780.9787 2117.3735 1953.5613 121.2504 -205760.2536 17386.4623 0.0000 0.0000 34263.8114 -149136.8161 299.2344 -183400.6275 -149047.7617 299.4514 -321.0783 -292.0849 558673.5339 11.9238 11.8295 PRESSURE: 1824800 -87.4337 -2.12892 219.031 -2.1285 -264.404 -186.693 219.029 -186.694 33.4558 GPRESSURE: 1824800 -61.1273 -35.1113 240.165 46.5706 -200.904 -194.519 227.427 -107.959 34.6357 PRESSAVG: 1824800 20.5107 -6.17622 36.8272 -6.17625 -23.0705 -34.6886 36.8272 -34.6887 -11.7227 GPRESSAVG: 1824800 21.0657 -6.50969 35.8004 -7.06936 -23.6098 -36.1756 38.1223 -32.4968 -11.025 TIMING: 1824800 CPU: 5290.53, 0.00289019/step Wall: 5290.53, 0.00289019/step, 2.54915 hours remaining, 210.414062 MB of memory in use. ENERGY: 1824800 754.8056 2071.5548 1952.7978 112.0471 -206247.3588 17831.2080 0.0000 0.0000 34198.0169 -149326.9286 298.6598 -183524.9455 -149230.2128 299.3021 -106.1272 -75.7986 558164.6245 -4.7608 -4.5231 PRESSURE: 1825000 -67.3187 -47.1125 208.169 -47.1114 -28.424 -9.65166 208.17 -9.65278 9.8281 GPRESSURE: 1825000 -55.2453 -35.4158 219.836 -97.6437 22.4142 45.0375 170.611 -79.4869 47.09 PRESSAVG: 1825000 11.3786 -68.7484 55.5956 -68.7484 -29.5782 -44.2664 55.5956 -44.2662 34.2749 GPRESSAVG: 1825000 10.8443 -65.7393 56.631 -69.635 -27.5181 -41.7515 55.3892 -46.5472 33.2753 TIMING: 1825000 CPU: 5291.11, 0.00288383/step Wall: 5291.11, 0.00288383/step, 2.54338 hours remaining, 210.468750 MB of memory in use. ENERGY: 1825000 744.7764 2077.0563 1957.7654 107.7378 -206032.9274 17776.9403 0.0000 0.0000 33997.5688 -149371.0824 296.9092 -183368.6512 -149275.8357 298.8972 -28.6382 4.7530 556252.5787 5.3584 5.5339 PRESSURE: 1825200 -61.2256 -4.38141 -8.22664 -4.38192 -333.687 39.7251 -8.22763 39.7266 -112.007 GPRESSURE: 1825200 -70.9699 10.5317 1.28635 9.48475 -255.494 61.7147 -23.4921 -63.2252 -83.2554 PRESSAVG: 1825200 -9.2678 -23.1873 20.8254 -23.1874 -49.1786 -18.957 20.8254 -18.957 54.8781 GPRESSAVG: 1825200 -9.37281 -25.2845 20.696 -20.233 -51.2751 -19.7829 19.8992 -18.0562 56.1732 TIMING: 1825200 CPU: 5291.69, 0.00289554/step Wall: 5291.69, 0.00289554/step, 2.55355 hours remaining, 210.468750 MB of memory in use. ENERGY: 1825200 757.5593 2102.2903 1940.6881 110.1327 -206282.2854 17591.1112 0.0000 0.0000 34230.6914 -149549.8125 298.9451 -183780.5038 -149453.8616 298.6939 -168.9733 -136.5730 556159.4234 -1.1894 -1.4915 PRESSURE: 1825400 -193.263 112.985 -38.7809 112.985 -322.236 120.144 -38.7798 120.143 -208.769 GPRESSURE: 1825400 -152.317 92.3585 21.6536 22.4687 -313.045 134.523 -89.9773 127.384 -153.547 PRESSAVG: 1825400 3.17759 -35.0474 10.2774 -35.0473 -12.3227 -8.75108 10.2775 -8.75093 46.0116 GPRESSAVG: 1825400 2.83722 -35.8978 9.77789 -36.9981 -10.7249 -10.5749 10.382 -6.0932 44.8252 TIMING: 1825400 CPU: 5292.26, 0.00287383/step Wall: 5292.26, 0.00287383/step, 2.53424 hours remaining, 210.468750 MB of memory in use. ENERGY: 1825400 729.5026 2093.6382 1945.6671 118.6600 -205785.3945 17464.2386 0.0000 0.0000 33992.8467 -149440.8412 296.8680 -183433.6879 -149348.7371 298.2306 -241.4227 -206.3029 558769.2491 12.2888 12.3125 PRESSURE: 1825600 38.2065 -13.3787 -27.0674 -13.3798 -88.4724 124.81 -27.0662 124.81 -13.4993 GPRESSURE: 1825600 107.063 47.6455 13.78 -37.4017 -17.1356 94.6579 6.99128 3.46709 -47.1772 PRESSAVG: 1825600 -1.18451 -45.9908 10.742 -45.9908 -4.83641 47.9849 10.7419 47.9847 -18.8734 GPRESSAVG: 1825600 -1.36817 -43.8529 10.9559 -46.2106 -5.19953 49.6828 10.6701 44.7908 -18.0019 TIMING: 1825600 CPU: 5292.84, 0.00287434/step Wall: 5292.84, 0.00287434/step, 2.53453 hours remaining, 210.468750 MB of memory in use. ENERGY: 1825600 747.0226 2052.8161 1969.0835 103.9545 -206702.6325 17988.1177 0.0000 0.0000 34411.1261 -149430.5120 300.5209 -183841.6381 -149334.3058 299.0257 -21.2551 14.2501 557046.8048 -8.2981 -8.1899 PRESSURE: 1825800 -196.443 14.7907 -67.744 14.7911 119.463 -34.2047 -67.7453 -34.2058 33.0865 GPRESSURE: 1825800 -171.749 47.06 -73.9611 51.4779 189.997 -98.0854 -171.65 -32.453 27.0697 PRESSAVG: 1825800 -20.0012 -31.376 -20.5187 -31.376 -3.5917 -17.9675 -20.5186 -17.9676 22.9626 GPRESSAVG: 1825800 -19.8638 -35.5793 -19.8758 -28.6445 -4.30488 -20.0144 -19.5541 -15.4676 23.0428 TIMING: 1825800 CPU: 5293.41, 0.00287118/step Wall: 5293.41, 0.00287118/step, 2.53158 hours remaining, 210.519531 MB of memory in use. ENERGY: 1825800 769.2728 2112.0260 1968.6265 114.1307 -206295.5672 17664.1680 0.0000 0.0000 34317.2292 -149350.1140 299.7009 -183667.3432 -149261.2475 299.5934 -14.6309 15.1058 555250.9221 -0.2101 -0.3753 PRESSURE: 1826000 159.372 -85.8498 9.96766 -85.8502 297.884 91.2355 9.96769 91.2357 74.8525 GPRESSURE: 1826000 159.841 -86.9539 29.2983 -87.921 335.378 106.367 2.85332 -6.73691 145.403 PRESSAVG: 1826000 4.25426 -26.0556 -29.2218 -26.0556 60.0424 -23.3549 -29.2219 -23.355 -15.5631 GPRESSAVG: 1826000 5.73039 -23.2152 -29.0843 -28.4704 58.4193 -22.3519 -31.5153 -24.0751 -15.557 TIMING: 1826000 CPU: 5293.99, 0.00291048/step Wall: 5293.99, 0.00291048/step, 2.56608 hours remaining, 210.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1826000 738.7578 2032.1349 1960.9020 116.2238 -206451.6235 18044.0793 0.0000 0.0000 34162.1598 -149397.3659 298.3466 -183559.5257 -149300.2773 298.8443 177.3694 213.5405 556897.2284 16.2445 16.1976 PRESSURE: 1826200 243.307 18.5517 84.2702 18.5507 186.075 29.937 84.2701 29.9388 -143.475 GPRESSURE: 1826200 299.908 25.2535 80.1429 -9.07407 215.016 51.9898 -1.16402 181.532 -140.339 PRESSAVG: 1826200 -2.25724 -48.4386 14.2884 -48.4387 3.46996 -34.1275 14.2884 -34.1274 -1.94801 GPRESSAVG: 1826200 -3.00449 -49.8737 13.8051 -45.6451 4.99082 -35.7158 15.5015 -34.5031 -2.73629 TIMING: 1826200 CPU: 5294.57, 0.00290539/step Wall: 5294.57, 0.00290539/step, 2.56143 hours remaining, 210.519531 MB of memory in use. ENERGY: 1826200 735.4637 2107.9546 1945.7865 118.1033 -206395.2818 18014.9183 0.0000 0.0000 34071.2442 -149401.8112 297.5526 -183473.0554 -149309.2627 298.6752 95.3023 124.8615 556787.7978 -0.2451 -0.2500 PRESSURE: 1826400 -32.4222 -41.2049 -101.762 -41.2041 357.72 182.564 -101.761 182.564 133.329 GPRESSURE: 1826400 33.1724 -46.4313 -139.734 -118.154 428.033 176.127 -106.406 137.675 97.5665 PRESSAVG: 1826400 -14.131 -38.0722 -29.3897 -38.0723 30.984 -14.674 -29.3898 -14.6741 13.8608 GPRESSAVG: 1826400 -13.8902 -38.1299 -27.7471 -38.501 31.3196 -12.4916 -29.842 -15.4018 13.2631 TIMING: 1826400 CPU: 5295.15, 0.00288709/step Wall: 5295.15, 0.00288709/step, 2.54513 hours remaining, 210.519531 MB of memory in use. ENERGY: 1826400 737.6639 2101.6806 1946.2887 106.3761 -206599.5404 18111.2745 0.0000 0.0000 34406.4120 -149189.8445 300.4798 -183596.2566 -149095.6519 299.1182 152.8756 186.2573 557531.7126 10.2379 10.2308 PRESSURE: 1826600 -3.90717 -111.871 34.7632 -111.871 100.691 -9.22122 34.7632 -9.22065 -18.142 GPRESSURE: 1826600 45.0927 -94.8241 69.3199 -30.7043 119.988 -7.97242 42.3575 47.6559 10.4952 PRESSAVG: 1826600 -12.2471 6.40567 -37.7444 6.40559 33.3195 25.7621 -37.7443 25.7622 -29.8646 GPRESSAVG: 1826600 -12.5786 7.02504 -38.6135 4.44269 33.1961 24.5599 -37.0039 25.604 -29.1407 TIMING: 1826600 CPU: 5295.73, 0.00289959/step Wall: 5295.73, 0.00289959/step, 2.55599 hours remaining, 210.519531 MB of memory in use. ENERGY: 1826600 774.3894 2123.3242 1943.5187 104.8727 -206463.0943 17895.5515 0.0000 0.0000 34336.0239 -149285.4139 299.8650 -183621.4378 -149199.0155 298.9494 26.2141 58.5253 557399.1726 -2.9307 -2.8410 PRESSURE: 1826800 -464.865 -15.042 -45.0074 -15.0417 -268.268 127.532 -45.0066 127.532 -392.893 GPRESSURE: 1826800 -370.059 19.4709 -22.4927 -19.446 -190.289 134.011 -73.6659 108.988 -475.322 PRESSAVG: 1826800 -42.733 -2.35312 -14.7579 -2.35306 58.084 1.06761 -14.7577 1.0676 -27.3818 GPRESSAVG: 1826800 -41.1233 -1.27777 -13.4035 -0.69905 58.3958 1.13231 -16.8612 1.40082 -28.8843 TIMING: 1826800 CPU: 5296.31, 0.00291445/step Wall: 5296.31, 0.00291445/step, 2.56893 hours remaining, 210.519531 MB of memory in use. ENERGY: 1826800 776.2281 2128.0929 1968.0547 124.7953 -205861.8478 17280.8073 0.0000 0.0000 34248.2921 -149335.5773 299.0989 -183583.8694 -149237.3900 298.9453 -375.3416 -345.2237 557987.2463 -4.0103 -3.8706 PRESSURE: 1827000 92.2917 52.4348 19.5253 52.434 90.859 107.908 19.5241 107.909 -163.376 GPRESSURE: 1827000 122.308 105.364 17.3276 72.6232 135.212 69.6427 8.25379 129.465 -139.509 PRESSAVG: 1827000 -4.30071 48.9195 24.6257 48.9195 27.9187 -14.6449 24.6256 -14.645 -16.1321 GPRESSAVG: 1827000 -4.81198 46.7704 23.7136 49.4696 27.4377 -14.9566 26.6546 -13.9334 -14.7794 TIMING: 1827000 CPU: 5296.89, 0.00288915/step Wall: 5296.89, 0.00288915/step, 2.54646 hours remaining, 210.519531 MB of memory in use. ENERGY: 1827000 765.8335 2130.4663 1962.5064 124.7099 -206269.0383 17757.1696 0.0000 0.0000 34096.7939 -149431.5588 297.7758 -183528.3527 -149341.6458 299.0729 6.5915 39.3368 556496.6728 2.4953 2.6154 PRESSURE: 1827200 -145.889 60.2757 -41.0088 60.2752 -158.604 55.0475 -41.0089 55.0487 162.284 GPRESSURE: 1827200 -135.417 51.4547 -54.2591 115.551 -59.8535 140.532 -45.4864 76.6427 170.738 PRESSAVG: 1827200 4.41804 -10.7507 8.72344 -10.7507 43.7361 -13.9939 8.72359 -13.9939 2.20709 GPRESSAVG: 1827200 3.59312 -10.1426 8.60133 -11.5727 44.1917 -12.6458 7.41798 -13.9362 2.63047 TIMING: 1827200 CPU: 5297.48, 0.00292154/step Wall: 5297.48, 0.00292154/step, 2.57485 hours remaining, 210.519531 MB of memory in use. ENERGY: 1827200 755.3820 2100.2770 1988.4566 101.6192 -206347.2914 17905.9773 0.0000 0.0000 34186.7732 -149308.8061 298.5616 -183495.5792 -149203.1647 299.7783 -47.4029 -8.1776 558656.5102 16.7871 16.8051 PRESSURE: 1827400 -26.0513 -44.9087 34.1262 -44.9093 -264.975 104.656 34.1266 104.658 -139.609 GPRESSURE: 1827400 17.1947 -68.4664 -42.104 -30.2093 -237.762 114.163 63.0426 3.13098 -116.21 PRESSAVG: 1827400 41.0419 50.5298 26.8094 50.5298 -66.0533 26.6478 26.8095 26.6478 8.80087 GPRESSAVG: 1827400 40.9191 51.6365 27.8801 50.7524 -65.4706 27.1126 26.5674 25.9735 8.88984 TIMING: 1827400 CPU: 5298.06, 0.00290857/step Wall: 5298.06, 0.00290857/step, 2.56326 hours remaining, 210.519531 MB of memory in use. ENERGY: 1827400 758.8204 2081.5330 1971.2956 117.0737 -206098.5899 17735.6281 0.0000 0.0000 34212.1655 -149222.0735 298.7834 -183434.2390 -149125.7300 298.8227 -143.5454 -112.2591 558909.5764 -5.4035 -5.2206 PRESSURE: 1827600 -115.2 68.2097 163.218 68.2094 -162.901 -16.9847 163.216 -16.9842 -175.337 GPRESSURE: 1827600 -69.2183 41.3034 157.992 68.3286 -118.624 -21.6432 97.7113 9.68274 -156.395 PRESSAVG: 1827600 78.9576 26.3219 -40.6706 26.3218 -22.0725 4.62747 -40.6707 4.6275 -49.8038 GPRESSAVG: 1827600 79.7387 24.104 -42.0697 24.8329 -22.4247 2.1046 -41.0097 5.9192 -50.3215 TIMING: 1827600 CPU: 5298.64, 0.00289653/step Wall: 5298.64, 0.00289653/step, 2.55249 hours remaining, 210.519531 MB of memory in use. ENERGY: 1827600 772.3575 2102.4718 2015.1529 106.6086 -205872.5370 17552.8540 0.0000 0.0000 34005.9514 -149317.1407 296.9824 -183323.0921 -149218.6808 298.5336 -151.1460 -114.7459 559035.0082 2.3604 2.3308 PRESSURE: 1827800 128.473 81.7173 113.59 81.7179 21.8844 -127.451 113.588 -127.451 159.573 GPRESSURE: 1827800 252.029 40.0932 173.595 135.958 -44.3759 -127.334 41.8979 -51.1127 197.437 PRESSAVG: 1827800 22.7825 -17.1642 83.404 -17.1641 -9.58689 -14.364 83.4039 -14.3641 7.61431 GPRESSAVG: 1827800 23.1076 -15.8124 84.5697 -15.7572 -9.97737 -12.297 84.0937 -14.6886 8.16814 TIMING: 1827800 CPU: 5299.22, 0.00291789/step Wall: 5299.22, 0.00291789/step, 2.57115 hours remaining, 210.519531 MB of memory in use. ENERGY: 1827800 734.6298 2126.8464 1984.2434 106.8097 -206564.4017 18103.8978 0.0000 0.0000 34102.7905 -149405.1841 297.8282 -183507.9746 -149307.2192 298.6793 103.3102 135.0299 558951.1619 6.9367 7.0995 PRESSURE: 1828000 173.262 16.5509 147.302 16.5507 249.498 60.1305 147.302 60.1303 -23.2101 GPRESSURE: 1828000 202.399 7.98349 136.151 19.1018 249.206 110.247 138.545 99.691 55.7952 PRESSAVG: 1828000 14.451 -9.55306 36.3569 -9.55301 28.6386 -20.7976 36.3569 -20.7977 -75.8876 GPRESSAVG: 1828000 15.4732 -11.3569 35.0553 -7.48881 28.1572 -22.0992 35.9068 -21.2833 -76.0404 TIMING: 1828000 CPU: 5299.8, 0.00289687/step Wall: 5299.8, 0.00289687/step, 2.55247 hours remaining, 210.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1828000 722.0852 2018.7283 1990.9210 109.8087 -206560.3396 17982.1983 0.0000 0.0000 34384.8231 -149351.7750 300.2912 -183736.5981 -149254.6392 298.4298 133.1835 169.1333 557899.5700 -10.9327 -10.8033 PRESSURE: 1828200 -484.095 -125.674 -77.7027 -125.673 141.065 142.419 -77.7023 142.42 -300.516 GPRESSURE: 1828200 -455.615 -138.029 -48.951 -182.206 147.337 117.672 -20.4928 153.291 -226.893 PRESSAVG: 1828200 -62.0705 -8.89554 8.0126 -8.89549 62.5391 7.08913 8.01258 7.08905 -15.3965 GPRESSAVG: 1828200 -62.4 -6.24577 8.67058 -11.9536 62.1412 8.1713 8.89204 7.51328 -14.8233 TIMING: 1828200 CPU: 5300.38, 0.00290814/step Wall: 5300.38, 0.00290814/step, 2.56224 hours remaining, 210.519531 MB of memory in use. ENERGY: 1828200 750.4288 2089.5140 1974.5403 114.7682 -206121.7088 17484.0471 0.0000 0.0000 34290.7457 -149417.6647 299.4696 -183708.4104 -149316.5226 298.9636 -214.5156 -178.3904 558111.7160 -4.9760 -5.0274 LDB: ============= START OF LOAD BALANCING ============== 5303.77 LDB: ============== END OF LOAD BALANCING =============== 5303.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5303.77 LDB: ============= START OF LOAD BALANCING ============== 5304.07 LDB: Largest compute 4820 load 0.025373 is 21.5% of average load 0.117994 LDB: Average compute 0.001718 is 1.5% of average load 0.117994 LDB: TIME 5304.07 LOAD: AVG 0.117994 MAX 0.183009 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.473 MB LDB: TIME 5304.07 LOAD: AVG 0.117994 MAX 0.183009 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: TIME 5304.07 LOAD: AVG 0.117994 MAX 0.183009 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5304.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5304.08 PRESSURE: 1828400 156.015 12.9035 -93.204 12.9032 36.44 31.9956 -93.2043 31.9957 -114.588 GPRESSURE: 1828400 231.78 -26.4189 -118.277 33.9947 66.0104 59.1461 -68.0593 1.41518 -130.598 PRESSAVG: 1828400 -12.5261 -23.9845 -9.13227 -23.9846 -32.1433 38.5758 -9.13225 38.5757 -19.3122 GPRESSAVG: 1828400 -12.8882 -23.4769 -10.1994 -24.6133 -30.9077 37.5492 -9.90203 38.5581 -20.083 TIMING: 1828400 CPU: 5300.98, 0.00299379/step Wall: 5300.98, 0.00299378/step, 2.63752 hours remaining, 208.273438 MB of memory in use. ENERGY: 1828400 768.2274 2075.2469 1949.6305 111.8724 -206665.5207 17940.4190 0.0000 0.0000 34118.3996 -149701.7248 297.9645 -183820.1244 -149604.8492 298.0059 25.9557 55.7308 556292.1729 -21.3272 -21.2930 PRESSURE: 1828600 -401.161 38.6818 -141.486 38.6809 -156.371 -259.671 -141.487 -259.673 -254.735 GPRESSURE: 1828600 -307.655 -27.6146 -92.8345 7.66813 -143.789 -218.631 -156.098 -241.973 -267.292 PRESSAVG: 1828600 58.1929 28.4933 19.1824 28.4933 -36.6761 -90.975 19.1826 -90.9751 -11.118 GPRESSAVG: 1828600 58.6588 27.9444 19.4161 30.1162 -36.5531 -89.5364 18.1511 -91.5409 -10.8573 TIMING: 1828600 CPU: 5301.57, 0.00293794/step Wall: 5301.57, 0.00293794/step, 2.58817 hours remaining, 208.472656 MB of memory in use. ENERGY: 1828600 753.5319 2092.9662 1973.4061 113.2105 -206243.7189 17449.9071 0.0000 0.0000 34140.4272 -149720.2698 298.1568 -183860.6970 -149626.1574 298.2775 -270.7555 -239.5786 558110.5244 3.4663 3.7494 PRESSURE: 1828800 -29.2367 -129.254 7.96768 -129.254 57.7624 -129.126 7.96694 -129.126 32.347 GPRESSURE: 1828800 7.60312 -69.7183 19.742 -69.7147 89.8191 -125.471 37.3406 -110.92 56.6097 PRESSAVG: 1828800 6.55805 -0.964514 21.1095 -0.964609 7.65912 -62.9658 21.1095 -62.9658 29.1246 GPRESSAVG: 1828800 6.51079 -2.57724 22.7415 -2.03901 6.43878 -65.4101 20.8642 -61.5365 30.4146 TIMING: 1828800 CPU: 5302.15, 0.002915/step Wall: 5302.15, 0.002915/step, 2.56779 hours remaining, 208.726562 MB of memory in use. ENERGY: 1828800 716.1412 2027.5958 1941.1910 125.6421 -206968.8480 18030.3927 0.0000 0.0000 34383.8395 -149744.0457 300.2826 -184127.8852 -149646.8560 297.7151 20.2909 51.3440 556391.1818 14.4473 14.4547 PRESSURE: 1829000 -83.723 -228.992 70.2315 -228.992 -233.907 25.123 70.2311 25.1217 130.554 GPRESSURE: 1829000 -50.3503 -246.058 3.30908 -217.841 -154.956 -17.9583 86.1378 88.6568 108.309 PRESSAVG: 1829000 -9.73329 -42.0286 -22.4055 -42.0285 56.2314 -37.7478 -22.4055 -37.7478 -12.6674 GPRESSAVG: 1829000 -9.89811 -40.4388 -22.9813 -41.3258 57.3778 -33.8102 -20.6611 -41.0869 -13.7976 TIMING: 1829000 CPU: 5302.73, 0.00291001/step Wall: 5302.73, 0.00291001/step, 2.56324 hours remaining, 208.726562 MB of memory in use. ENERGY: 1829000 721.5351 2000.8990 1959.1173 113.2439 -206259.1331 17704.2485 0.0000 0.0000 33959.9451 -149800.1442 296.5806 -183760.0893 -149706.4379 298.2148 -62.3586 -32.3325 556692.3139 11.2769 11.2274 PRESSURE: 1829200 158.504 79.5394 -263.415 79.541 -137.461 -186.401 -263.415 -186.403 0.848529 GPRESSURE: 1829200 182.347 109.898 -348.472 22.8304 -100.483 -234.38 -276.153 -171.852 39.0102 PRESSAVG: 1829200 -2.83982 0.0112184 -85.3488 0.0111733 -33.5233 -26.9723 -85.3489 -26.9722 10.7722 GPRESSAVG: 1829200 -3.65814 1.60757 -86.3399 0.886869 -32.3912 -28.5855 -84.7052 -23.7359 10.4842 TIMING: 1829200 CPU: 5303.31, 0.00289592/step Wall: 5303.31, 0.00289592/step, 2.55066 hours remaining, 208.726562 MB of memory in use. ENERGY: 1829200 761.0703 2018.3713 1953.1193 110.5488 -206906.9041 18144.5926 0.0000 0.0000 34259.0303 -149660.1716 299.1926 -183919.2019 -149568.3613 297.3214 7.2973 40.2913 556889.5564 -8.5303 -8.5217 PRESSURE: 1829400 -192.518 147.36 96.4686 147.359 -66.282 57.4266 96.4686 57.4262 -164.499 GPRESSURE: 1829400 -224.698 167.024 96.9107 122.372 -0.641998 124.509 49.019 94.761 -94.8705 PRESSAVG: 1829400 47.7736 32.9904 7.13935 32.9904 -35.1631 -3.91336 7.13929 -3.91341 -8.6315 GPRESSAVG: 1829400 48.4988 31.3859 9.48518 32.543 -36.0707 -4.74483 5.3721 -5.17537 -8.04237 TIMING: 1829400 CPU: 5303.89, 0.00289562/step Wall: 5303.89, 0.00289562/step, 2.55024 hours remaining, 208.726562 MB of memory in use. ENERGY: 1829400 727.3985 2054.0558 1946.9398 107.2385 -206245.2406 17555.7454 0.0000 0.0000 34299.2761 -149554.5864 299.5441 -183853.8625 -149469.4133 298.9329 -141.0997 -106.7369 557556.0705 1.3263 1.4619 PRESSURE: 1829600 141.128 -156.7 -87.1948 -156.7 -91.3306 -45.3787 -87.1943 -45.378 -3.28469 GPRESSURE: 1829600 181.485 -193.216 -24.6231 -126.026 -99.3361 -5.62602 -87.4901 -11.333 60.7734 PRESSAVG: 1829600 54.6368 3.50631 32.5783 3.50637 -67.3473 -53.9995 32.5783 -53.9996 -2.21942 GPRESSAVG: 1829600 55.9268 0.974395 29.4403 4.01993 -67.9328 -54.0524 33.189 -53.3089 -2.60417 TIMING: 1829600 CPU: 5304.47, 0.00289696/step Wall: 5304.47, 0.00289696/step, 2.55125 hours remaining, 208.726562 MB of memory in use. ENERGY: 1829600 721.8621 2045.4189 1984.6660 111.8299 -206522.6799 17965.8323 0.0000 0.0000 34117.4080 -149575.6626 297.9558 -183693.0706 -149479.3614 298.3464 15.5041 47.6406 557447.6499 -4.9766 -4.8700 PRESSURE: 1829800 51.4589 -108.74 80.6223 -108.74 -16.8563 -59.8785 80.622 -59.8797 157.17 GPRESSURE: 1829800 81.2293 -96.5671 115.874 -5.05208 38.7655 -177.439 94.3918 58.2446 175.572 PRESSAVG: 1829800 54.6168 0.156173 10.6484 0.156202 -105.874 -5.92034 10.6484 -5.92041 68.2302 GPRESSAVG: 1829800 52.6064 1.86101 11.5504 -0.405974 -105.349 -6.3118 12.5222 -5.44962 69.2815 TIMING: 1829800 CPU: 5305.05, 0.00289531/step Wall: 5305.05, 0.00289531/step, 2.54964 hours remaining, 208.726562 MB of memory in use. ENERGY: 1829800 761.5962 2072.3815 1948.6603 114.5961 -206575.6599 17969.3574 0.0000 0.0000 34328.8435 -149380.2249 299.8023 -183709.0683 -149281.0765 299.2523 63.9241 98.5222 557306.6359 5.6577 5.5128 PRESSURE: 1830000 31.3344 88.7678 -11.8737 88.7678 91.4306 69.5836 -11.8725 69.5835 107.178 GPRESSURE: 1830000 126.376 73.7022 -75.3129 151.912 125.842 119.343 32.7244 18.5326 76.2191 PRESSAVG: 1830000 18.0196 25.2971 30.2724 25.2971 -47.9128 31.7929 30.2723 31.7929 36.2159 GPRESSAVG: 1830000 20.1003 23.7643 29.2853 28.3026 -47.6441 32.8137 30.762 32.339 33.822 TIMING: 1830000 CPU: 5305.63, 0.00291313/step Wall: 5305.63, 0.00291313/step, 2.56517 hours remaining, 208.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1830000 765.3280 2074.7623 1957.8838 122.1532 -206709.6871 18019.9885 0.0000 0.0000 34320.8867 -149448.6845 299.7328 -183769.5712 -149359.2329 298.8616 76.6476 109.4788 554756.8904 2.1076 2.0927 PRESSURE: 1830200 103.581 104.29 6.18145 104.29 -205.194 -79.2522 6.18273 -79.2535 -25.9445 GPRESSURE: 1830200 152.235 162.635 20.6162 78.7252 -145.063 -79.6455 19.681 -49.3374 -31.5909 PRESSAVG: 1830200 27.6371 19.0394 8.50474 19.0394 26.0744 44.25 8.50471 44.25 -60.164 GPRESSAVG: 1830200 26.4259 20.2305 10.2945 17.9976 26.1352 44.6773 6.30883 44.0554 -58.9674 TIMING: 1830200 CPU: 5306.21, 0.00288395/step Wall: 5306.21, 0.00288395/step, 2.53932 hours remaining, 208.726562 MB of memory in use. ENERGY: 1830200 811.5024 2078.0672 1968.6617 115.7927 -206648.5465 17891.0003 0.0000 0.0000 34450.0754 -149333.4468 300.8611 -183783.5222 -149239.5246 299.0827 -42.5192 -8.1397 557150.8979 -2.1509 -2.1354 PRESSURE: 1830400 -232.774 -99.6005 35.0432 -99.6027 -86.8362 66.4826 35.0415 66.4827 -495.595 GPRESSURE: 1830400 -206.206 -39.5683 42.0773 -108.11 -41.2557 29.7257 57.1726 76.2657 -463.917 PRESSAVG: 1830400 48.0078 -2.2815 -14.3262 -2.28158 -7.84065 19.5433 -14.3262 19.5432 -48.4935 GPRESSAVG: 1830400 49.1611 -1.88021 -15.1086 -5.21264 -8.17865 18.0484 -12.4621 20.4275 -49.343 TIMING: 1830400 CPU: 5306.79, 0.00292287/step Wall: 5306.79, 0.00292287/step, 2.57343 hours remaining, 208.726562 MB of memory in use. ENERGY: 1830400 750.8141 2047.1138 1943.2657 110.1628 -205751.0296 17418.4182 0.0000 0.0000 34357.7709 -149123.4840 300.0550 -183481.2549 -149029.4606 299.5043 -271.7351 -237.1260 557324.4691 -2.7755 -2.7869 PRESSURE: 1830600 -130.588 -39.0766 -59.1057 -39.0763 -83.7031 83.7246 -59.1071 83.7242 -137.549 GPRESSURE: 1830600 -112.272 -67.5053 -102.637 -44.4185 -49.7494 61.187 -63.1401 67.0654 -85.2157 PRESSAVG: 1830600 -16.836 -73.8102 -11.8847 -73.8103 39.3387 3.73907 -11.8847 3.73916 8.102 GPRESSAVG: 1830600 -17.0016 -75.464 -12.4765 -71.3139 38.8639 4.58643 -12.8616 1.143 9.09783 TIMING: 1830600 CPU: 5307.37, 0.00290166/step Wall: 5307.37, 0.00290166/step, 2.55459 hours remaining, 208.726562 MB of memory in use. ENERGY: 1830600 718.2616 2128.9681 1985.6728 116.7715 -205934.9373 17534.8355 0.0000 0.0000 34341.5721 -149108.8557 299.9135 -183450.4278 -149004.2509 299.5808 -117.2801 -82.4124 558027.3006 10.2016 10.3200 PRESSURE: 1830800 -51.528 44.256 67.4417 44.2557 91.0602 -47.6822 67.4399 -47.6822 -331.238 GPRESSURE: 1830800 6.14556 0.828939 112.216 102.508 53.5143 -85.9909 -22.6181 -17.1754 -259.847 PRESSAVG: 1830800 -0.502533 49.0016 -32.2877 49.0017 91.9901 -22.9658 -32.2877 -22.9658 -13.1322 GPRESSAVG: 1830800 -0.601459 50.4784 -30.6771 47.4932 92.0268 -24.5537 -33.5171 -20.8099 -12.8229 TIMING: 1830800 CPU: 5307.95, 0.00289674/step Wall: 5307.95, 0.00289674/step, 2.5501 hours remaining, 208.726562 MB of memory in use. ENERGY: 1830800 730.4430 2068.3486 1961.3482 109.6703 -206119.4693 17754.8858 0.0000 0.0000 34226.8155 -149267.9580 298.9113 -183494.7735 -149160.8903 299.4880 -97.2354 -66.7291 559046.7868 26.1185 26.2008 PRESSURE: 1831000 -145.263 36.0291 55.4779 36.0288 15.8558 -68.4833 55.477 -68.4834 -107.687 GPRESSURE: 1831000 -111.894 2.30625 -21.4155 54.5946 77.33 -39.1881 -24.8362 -51.8502 -108.973 PRESSAVG: 1831000 3.85878 3.42598 -33.1392 3.42595 15.0764 -35.0316 -33.1393 -35.0316 31.6844 GPRESSAVG: 1831000 3.65477 3.25029 -35.0942 3.90041 16.3234 -33.3805 -32.3256 -35.2842 30.5903 TIMING: 1831000 CPU: 5308.53, 0.00289911/step Wall: 5308.53, 0.00289911/step, 2.55202 hours remaining, 208.726562 MB of memory in use. ENERGY: 1831000 761.2979 2097.9798 1935.2167 112.3822 -206316.0446 17868.8747 0.0000 0.0000 34259.8760 -149280.4172 299.2000 -183540.2932 -149180.3975 299.1737 -79.0313 -47.8458 558233.0636 16.8732 16.8562 PRESSURE: 1831200 152.201 160.684 27.757 160.685 30.946 -68.8498 27.7571 -68.8497 -100.649 GPRESSURE: 1831200 155.059 213.935 -1.35913 173.529 10.6981 -114.913 8.28821 -42.426 16.7553 PRESSAVG: 1831200 -60.151 30.8831 39.0918 30.883 27.6374 0.672656 39.0919 0.672648 18.1907 GPRESSAVG: 1831200 -60.5606 31.5964 41.5457 31.2828 26.8359 2.4001 37.7908 -1.29293 18.8843 TIMING: 1831200 CPU: 5309.11, 0.00290379/step Wall: 5309.11, 0.00290379/step, 2.55598 hours remaining, 208.726562 MB of memory in use. ENERGY: 1831200 790.6099 2065.1281 1940.3962 106.5863 -206620.7773 18037.8346 0.0000 0.0000 34504.5575 -149175.6646 301.3369 -183680.2221 -149069.9299 299.5022 27.4993 60.8375 557573.5226 -4.7743 -4.9468 PRESSURE: 1831400 -47.7092 -81.2521 -108.98 -81.2529 -248.379 36.2617 -108.981 36.2615 -303.804 GPRESSURE: 1831400 -25.6776 -196.545 -113.241 -106.119 -198.555 -46.483 -126.888 92.7088 -282.419 PRESSAVG: 1831400 -56.5999 34.8998 -8.23619 34.8997 11.0002 28.0224 -8.23614 28.0225 18.9928 GPRESSAVG: 1831400 -56.1665 35.7075 -9.81567 32.9475 11.5522 26.4988 -5.88516 31.368 18.1896 TIMING: 1831400 CPU: 5309.69, 0.00289028/step Wall: 5309.69, 0.00289028/step, 2.54393 hours remaining, 208.726562 MB of memory in use. ENERGY: 1831400 724.1805 2130.5911 1953.5685 110.3693 -206087.0123 17693.5717 0.0000 0.0000 34202.6468 -149272.0844 298.7002 -183474.7311 -149176.2594 299.8693 -199.9643 -168.8839 557425.1233 -8.8690 -8.8082 PRESSURE: 1831600 11.5397 -6.78728 -45.7365 -6.78746 29.2099 -32.1008 -45.736 -32.1004 124.318 GPRESSURE: 1831600 55.303 -75.4874 -58.4888 -58.7639 79.9157 1.39103 -20.7379 1.9458 121.985 PRESSAVG: 1831600 -32.0643 -45 -27.1602 -45 16.215 -21.8751 -27.1601 -21.8751 78.3142 GPRESSAVG: 1831600 -32.208 -47.3649 -27.0213 -43.2885 15.8501 -24.4921 -27.0728 -21.9529 79.2085 TIMING: 1831600 CPU: 5310.27, 0.00291084/step Wall: 5310.27, 0.00291084/step, 2.56186 hours remaining, 208.726562 MB of memory in use. ENERGY: 1831600 753.9146 2088.6964 1934.6051 113.3922 -206418.5211 17939.6387 0.0000 0.0000 34221.0733 -149367.2009 298.8611 -183588.2742 -149276.7049 299.3590 55.0227 85.7345 557145.3551 20.8217 20.9502 PRESSURE: 1831800 96.1447 -174.204 33.1498 -174.206 110.497 149.904 33.1486 149.905 162.475 GPRESSURE: 1831800 134.836 -118.705 29.6816 -174.87 135.79 116.587 57.857 59.5675 202.413 PRESSAVG: 1831800 -20.3559 -41.4934 -8.41378 -41.4934 23.7798 21.2986 -8.41376 21.2987 -11.358 GPRESSAVG: 1831800 -18.9918 -41.8662 -9.79438 -41.5393 22.5808 22.494 -7.04672 19.9917 -11.1801 TIMING: 1831800 CPU: 5310.86, 0.00290819/step Wall: 5310.86, 0.00290819/step, 2.55937 hours remaining, 208.726562 MB of memory in use. ENERGY: 1831800 760.8146 2133.2807 1968.6444 113.3295 -206469.6225 17970.7988 0.0000 0.0000 34238.3384 -149284.4160 299.0119 -183522.7544 -149192.8440 298.7784 123.0391 157.6798 556599.4816 -2.6447 -2.5304 PRESSURE: 1832000 215.755 6.04448 34.3676 6.0448 49.3342 4.17479 34.3676 4.17581 149.506 GPRESSURE: 1832000 297.991 8.85975 31.3291 -75.8337 -0.010026 -27.2934 27.2273 -10.9885 222.729 PRESSAVG: 1832000 47.1298 -51.5995 -10.5076 -51.5995 -1.87385 95.4636 -10.5075 95.4637 -50.2504 GPRESSAVG: 1832000 46.7025 -50.2842 -9.61795 -51.5838 -1.09522 97.0655 -10.8744 96.1361 -50.7049 TIMING: 1832000 CPU: 5311.44, 0.00291569/step Wall: 5311.44, 0.00291569/step, 2.56581 hours remaining, 208.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1832000 743.4315 2067.2022 1971.5358 119.9034 -206050.4898 17758.3929 0.0000 0.0000 34233.8259 -149156.1980 298.9725 -183390.0240 -149063.0938 298.1746 138.1985 173.5701 555382.2842 -1.6648 -1.6992 PRESSURE: 1832200 269.758 105.893 -33.1245 105.893 152.755 153.123 -33.1232 153.122 -47.0398 GPRESSURE: 1832200 374.155 113.932 -80.2185 105.684 116.009 188.772 15.9401 233.242 -12.0772 PRESSAVG: 1832200 14.3597 30.7487 64.8264 30.7487 34.1198 57.5004 64.8263 57.5004 -22.0581 GPRESSAVG: 1832200 13.2211 29.0966 66.0621 31.4468 33.8836 55.916 62.8569 58.495 -20.9805 TIMING: 1832200 CPU: 5312.02, 0.00290334/step Wall: 5312.02, 0.00290334/step, 2.55477 hours remaining, 208.726562 MB of memory in use. ENERGY: 1832200 746.0765 2121.1351 1964.7368 116.1291 -206190.1411 17781.5129 0.0000 0.0000 34391.8510 -149068.6998 300.3526 -183460.5508 -148973.6999 299.1827 125.1577 159.3623 554604.4353 8.8071 8.7081 LDB: ============= START OF LOAD BALANCING ============== 5315.41 LDB: ============== END OF LOAD BALANCING =============== 5315.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5315.41 LDB: ============= START OF LOAD BALANCING ============== 5315.7 LDB: Largest compute 4820 load 0.025458 is 21.6% of average load 0.118012 LDB: Average compute 0.001730 is 1.5% of average load 0.118012 LDB: TIME 5315.71 LOAD: AVG 0.118012 MAX 0.180993 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.527 MB LDB: TIME 5315.71 LOAD: AVG 0.118012 MAX 0.180993 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.527 MB LDB: TIME 5315.71 LOAD: AVG 0.118012 MAX 0.180993 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.527 MB LDB: ============== END OF LOAD BALANCING =============== 5315.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5315.71 PRESSURE: 1832400 -58.1028 -195.314 -143.031 -195.314 -81.8155 71.2502 -143.033 71.2493 3.74437 GPRESSURE: 1832400 -34.8661 -81.0736 -146.807 -214.706 -43.5024 92.4913 -173.44 31.3338 42.4457 PRESSAVG: 1832400 -22.717 -19.8071 -68.9522 -19.8071 74.0994 -5.43457 -68.9522 -5.43457 -44.9841 GPRESSAVG: 1832400 -22.4885 -18.341 -69.7655 -21.6147 74.9718 -2.85192 -68.3539 -6.47215 -45.6393 TIMING: 1832400 CPU: 5312.62, 0.00298287/step Wall: 5312.62, 0.00298287/step, 2.62459 hours remaining, 207.277344 MB of memory in use. ENERGY: 1832400 769.2991 2106.9938 1948.0973 115.4897 -205902.4125 17676.9238 0.0000 0.0000 34191.2413 -149094.3676 298.6006 -183285.6089 -148999.6143 299.4292 -45.3913 -11.9743 555654.5030 2.1327 2.2813 PRESSURE: 1832600 11.1939 -95.5094 14.0196 -95.5078 -0.0171826 42.9644 14.0199 42.9634 85.5828 GPRESSURE: 1832600 22.6957 -43.3986 57.3911 -209.235 91.178 56.7495 -19.9963 86.3324 84.682 PRESSAVG: 1832600 -67.215 8.81958 -33.239 8.81962 85.3939 -22.8514 -33.239 -22.8514 10.2915 GPRESSAVG: 1832600 -68.207 7.57757 -32.6783 9.73091 85.5595 -23.5476 -32.2379 -22.1476 11.1825 TIMING: 1832600 CPU: 5313.2, 0.00291998/step Wall: 5313.2, 0.00291998/step, 2.5691 hours remaining, 207.519531 MB of memory in use. ENERGY: 1832600 756.4461 2078.3879 1953.0465 114.2687 -206112.8103 17810.5957 0.0000 0.0000 34325.6736 -149074.3917 299.7746 -183400.0653 -148979.1919 299.3775 32.2532 66.1852 556959.7258 9.4901 9.5117 PRESSURE: 1832800 -208.838 -89.6641 102.484 -89.6645 -188.623 27.2471 102.484 27.248 97.7367 GPRESSURE: 1832800 -168.957 -88.3903 113.549 -123.541 -168.344 -17.3593 131.758 -13.5405 138.83 PRESSAVG: 1832800 27.2568 -5.286 66.0186 -5.28593 6.6332 58.273 66.0187 58.2732 -40.487 GPRESSAVG: 1832800 29.736 -3.45561 64.4342 -7.53557 5.50798 58.2793 65.3109 56.9087 -42.0463 TIMING: 1832800 CPU: 5313.78, 0.00291721/step Wall: 5313.78, 0.00291721/step, 2.5665 hours remaining, 207.519531 MB of memory in use. ENERGY: 1832800 797.1444 2140.3717 1949.8825 120.2228 -206126.4869 17623.3750 0.0000 0.0000 34313.8661 -149181.6245 299.6715 -183495.4906 -149083.8960 299.4179 -99.9082 -66.1570 557356.2895 -2.1990 -2.2674 PRESSURE: 1833000 -383.333 -123.962 -43.0542 -123.962 -110.811 -27.5754 -43.0548 -27.5746 169.183 GPRESSURE: 1833000 -371.262 -99.2795 -105.501 -177.438 -7.66722 -21.2961 -19.9637 -7.05005 150.164 PRESSAVG: 1833000 -26.1659 -11.0877 12.1517 -11.0876 -41.8323 24.052 12.1517 24.052 44.1467 GPRESSAVG: 1833000 -26.6964 -12.5362 12.365 -6.76708 -42.0633 23.3294 12.2723 24.5744 45.1496 TIMING: 1833000 CPU: 5314.37, 0.00290516/step Wall: 5314.37, 0.00290516/step, 2.55573 hours remaining, 207.519531 MB of memory in use. ENERGY: 1833000 748.6801 2070.5856 1955.4553 119.5772 -205899.1964 17662.2387 0.0000 0.0000 34228.5896 -149114.0699 298.9268 -183342.6595 -149019.0523 299.0502 -108.3205 -76.2552 558336.0309 -7.9505 -7.8700 PRESSURE: 1833200 171.923 62.1459 3.12882 62.1465 -270.435 59.5409 3.12921 59.5423 288.773 GPRESSURE: 1833200 199.131 -4.43339 11.8993 123.467 -210.913 93.2236 13.3498 114.747 300.612 PRESSAVG: 1833200 -35.5581 20.2492 -52.5618 20.2492 -4.59261 37.5442 -52.5618 37.5442 50.3789 GPRESSAVG: 1833200 -36.4168 21.2105 -49.401 18.1055 -3.36558 38.7281 -53.3779 37.2587 50.0691 TIMING: 1833200 CPU: 5314.94, 0.00288989/step Wall: 5314.94, 0.00288989/step, 2.54214 hours remaining, 207.519531 MB of memory in use. ENERGY: 1833200 747.6595 2189.2413 1953.3436 125.5243 -206269.8403 17792.9730 0.0000 0.0000 34329.3557 -149131.7428 299.8068 -183461.0986 -149038.2886 299.6409 63.4202 96.2768 555424.5396 3.4094 3.4289 PRESSURE: 1833400 92.4558 214.669 6.03464 214.668 -116.734 13.1866 6.03424 13.1877 -165.693 GPRESSURE: 1833400 113.627 285.579 65.7724 171.289 -65.3229 -13.2503 46.1267 31.7854 -139.417 PRESSAVG: 1833400 5.43089 90.2809 -10.6954 90.281 -84.2637 2.01398 -10.6954 2.01402 26.4151 GPRESSAVG: 1833400 4.30785 91.324 -13.0423 88.6056 -84.9056 1.62026 -11.6209 2.18554 28.0131 TIMING: 1833400 CPU: 5315.52, 0.00287912/step Wall: 5315.52, 0.00287912/step, 2.53251 hours remaining, 207.519531 MB of memory in use. ENERGY: 1833400 730.5765 2147.9111 1958.9809 108.5063 -205728.7307 17543.7752 0.0000 0.0000 34195.8102 -149043.1705 298.6405 -183238.9807 -148946.1665 299.8003 -63.3239 -30.3709 556180.9963 -17.4726 -17.5282 PRESSURE: 1833600 -127.098 22.5021 -87.0553 22.501 -113.367 9.47245 -87.0563 9.47163 -85.3677 GPRESSURE: 1833600 -96.0418 81.377 -132.003 1.80217 -44.6957 -13.0061 -8.85192 41.6885 -82.878 PRESSAVG: 1833600 -58.1116 -18.28 12.1466 -18.2799 71.148 13.4882 12.1467 13.4882 -33.9098 GPRESSAVG: 1833600 -55.6811 -19.4729 11.1999 -15.2936 70.9071 13.714 14.5876 12.1152 -35.5389 TIMING: 1833600 CPU: 5316.1, 0.0028948/step Wall: 5316.1, 0.0028948/step, 2.54614 hours remaining, 207.519531 MB of memory in use. ENERGY: 1833600 751.3578 2160.4160 1936.9680 105.9028 -205646.8626 17503.5260 0.0000 0.0000 34163.0761 -149025.6159 298.3546 -183188.6920 -148923.8620 299.7795 -108.6108 -74.5385 557401.7106 -6.9578 -6.7710 PRESSURE: 1833800 183.311 34.723 118.293 34.7233 115.068 -52.6755 118.293 -52.676 -2.71662 GPRESSURE: 1833800 234.267 -2.93911 74.5948 26.7398 147.907 -71.4546 160.312 -89.2587 4.73604 PRESSAVG: 1833800 2.53522 24.393 -30.1287 24.393 48.1998 -5.4678 -30.1288 -5.46763 -54.5167 GPRESSAVG: 1833800 1.55227 25.673 -28.5152 24.2652 49.159 -6.00477 -30.5605 -5.21711 -54.3114 TIMING: 1833800 CPU: 5316.68, 0.00292149/step Wall: 5316.68, 0.00292149/step, 2.56945 hours remaining, 207.519531 MB of memory in use. ENERGY: 1833800 751.6624 2078.6820 1946.3226 109.5953 -206072.2260 17844.5599 0.0000 0.0000 34321.7379 -149019.6659 299.7403 -183341.4038 -148918.6980 299.5410 98.5543 128.9701 557370.7874 -1.2606 -1.2000 PRESSURE: 1834000 -4.01574 123.713 -60.0161 123.713 -34.5927 130.492 -60.0161 130.488 136.92 GPRESSURE: 1834000 34.2307 127.494 -64.623 103.934 -6.66832 135.22 -47.5012 89.8619 181.662 PRESSAVG: 1834000 -4.0141 36.2437 -27.9478 36.2436 24.214 -43.2153 -27.9479 -43.2153 -2.24638 GPRESSAVG: 1834000 -3.97655 35.1215 -27.6551 35.8387 23.5288 -41.7356 -28.6048 -42.2596 -1.67566 TIMING: 1834000 CPU: 5317.27, 0.0029235/step Wall: 5317.27, 0.0029235/step, 2.57106 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1834000 755.1369 2106.5571 1935.6866 128.8541 -206153.0896 17977.1218 0.0000 0.0000 34318.0370 -148931.6961 299.7080 -183249.7331 -148828.1684 299.8677 32.7706 69.7414 558387.8717 5.9845 5.9589 PRESSURE: 1834200 -8.62575 -72.0602 10.6704 -72.0606 -264.609 65.391 10.6701 65.3913 150.654 GPRESSURE: 1834200 27.0308 -84.4693 24.8836 -56.3041 -230.118 30.1383 -56.9879 104.083 182.738 PRESSAVG: 1834200 -31.9822 3.66839 -38.1023 3.66841 23.6612 26.1903 -38.1024 26.1903 31.2953 GPRESSAVG: 1834200 -32.157 4.84705 -38.2127 3.84046 23.5982 25.7511 -38.8565 25.632 31.721 TIMING: 1834200 CPU: 5317.85, 0.00293485/step Wall: 5317.85, 0.00293485/step, 2.58087 hours remaining, 207.574219 MB of memory in use. ENERGY: 1834200 724.3117 2117.4914 1948.9848 113.6178 -206243.0694 17868.8935 0.0000 0.0000 34406.1670 -149063.6033 300.4776 -183469.7702 -148964.7295 300.0054 -40.8602 -6.7828 558518.7598 7.6581 7.7207 PRESSURE: 1834400 -12.6614 -19.7843 -143.492 -19.7846 -252.519 107.704 -143.493 107.705 -242.31 GPRESSURE: 1834400 74.07 33.0948 -121.409 26.9215 -251.391 123.136 -130.871 63.2683 -228.134 PRESSAVG: 1834400 22.9861 -50.3982 -57.5946 -50.3981 -38.0858 48.6374 -57.5947 48.6375 5.66684 GPRESSAVG: 1834400 23.6635 -51.5992 -57.925 -49.9476 -38.3448 47.1344 -57.6159 49.836 5.23413 TIMING: 1834400 CPU: 5318.44, 0.00290589/step Wall: 5318.44, 0.00290589/step, 2.55524 hours remaining, 207.574219 MB of memory in use. ENERGY: 1834400 753.3296 2149.7397 1962.6992 117.9801 -205895.2931 17509.0516 0.0000 0.0000 34457.8846 -148944.6082 300.9293 -183402.4928 -148854.3556 300.6729 -169.1637 -135.1515 559836.3598 -3.1443 -3.1491 PRESSURE: 1834600 232.642 26.8829 49.2655 26.8833 -176.689 152.104 49.2651 152.105 39.3503 GPRESSURE: 1834600 222.657 -11.9727 48.3567 -2.06102 -135.043 130.417 -0.525046 118.953 96.4761 PRESSAVG: 1834600 1.59106 -36.6851 -53.27 -36.685 -14.3404 34.2045 -53.27 34.2044 0.457856 GPRESSAVG: 1834600 0.621989 -35.8426 -53.2907 -36.4678 -15.4039 36.2091 -53.7686 33.2695 1.90009 TIMING: 1834600 CPU: 5319.01, 0.00288795/step Wall: 5319.01, 0.00288795/step, 2.53931 hours remaining, 207.574219 MB of memory in use. ENERGY: 1834600 736.4639 2112.6403 1956.5089 117.0799 -206244.0166 17905.3284 0.0000 0.0000 34477.9467 -148938.0485 301.1045 -183415.9952 -148832.5073 300.8064 31.7677 61.3634 559825.3526 -4.0972 -4.2939 PRESSURE: 1834800 -48.9527 28.7877 -180.649 28.7877 -169.173 -45.4507 -180.648 -45.4521 260.663 GPRESSURE: 1834800 -6.57565 39.4813 -253.649 64.4414 -156.734 -49.8621 -158.729 -67.7798 305.483 PRESSAVG: 1834800 23.11 40.9306 -47.1296 40.9306 -43.5237 20.5092 -47.1296 20.5091 2.12573 GPRESSAVG: 1834800 22.8592 39.4102 -47.6859 41.4817 -42.0356 19.2402 -46.6871 22.4646 1.0657 TIMING: 1834800 CPU: 5319.6, 0.00292442/step Wall: 5319.6, 0.00292442/step, 2.57122 hours remaining, 207.574219 MB of memory in use. ENERGY: 1834800 759.8997 2170.7868 2002.9661 121.4573 -206102.3764 18025.7509 0.0000 0.0000 34056.6590 -148964.8567 297.4253 -183021.5157 -148868.1473 299.9953 14.1791 47.3910 559407.9147 -6.0960 -6.0369 PRESSURE: 1835000 262.805 -32.0503 17.8549 -32.0504 198.634 -130.515 17.8549 -130.514 -11.5266 GPRESSURE: 1835000 313.652 7.50697 28.2481 -33.6607 183.018 -174.72 -36.5275 -26.7404 40.2237 PRESSAVG: 1835000 17.5836 66.7598 -71.7577 66.7597 2.20696 -13.6032 -71.7577 -13.6033 -2.76403 GPRESSAVG: 1835000 18.4145 66.9398 -73.6944 64.8516 2.00269 -13.23 -69.321 -13.8622 -3.4773 TIMING: 1835000 CPU: 5320.18, 0.00289467/step Wall: 5320.18, 0.00289467/step, 2.54489 hours remaining, 207.574219 MB of memory in use. ENERGY: 1835000 752.8588 2195.5748 1949.6887 118.1204 -206022.7371 17936.4603 0.0000 0.0000 34134.5393 -148935.4947 298.1054 -183070.0340 -148840.7767 299.8377 149.9707 178.9646 557695.7376 5.6755 5.6466 PRESSURE: 1835200 127.045 15.7247 -75.1357 15.7246 155.312 21.8728 -75.1353 21.8725 157.863 GPRESSURE: 1835200 123.51 109.923 -93.0916 0.224916 235.506 40.6354 -91.0717 60.6738 188.55 PRESSAVG: 1835200 61.4145 54.1293 -60.8185 54.1294 20.7359 -6.51973 -60.8183 -6.51982 -58.659 GPRESSAVG: 1835200 60.7406 56.1332 -57.9342 56.6079 20.5413 -7.95176 -62.776 -6.43451 -57.7324 TIMING: 1835200 CPU: 5320.76, 0.00292065/step Wall: 5320.76, 0.00292065/step, 2.56758 hours remaining, 207.574219 MB of memory in use. ENERGY: 1835200 731.4858 2129.8286 1953.9993 119.3757 -206410.5491 18023.0058 0.0000 0.0000 34375.0919 -149077.7621 300.2062 -183452.8540 -148981.5825 299.2790 146.7399 182.5220 556902.4304 7.8304 7.8498 PRESSURE: 1835400 212.145 68.8977 -99.3192 68.8979 -157.305 -25.8571 -99.3183 -25.8586 -55.8791 GPRESSURE: 1835400 200.735 50.3911 -98.2395 70.2965 -147.744 -46.5013 -126.275 -23.388 41.0923 PRESSAVG: 1835400 -1.77959 -14.4879 -64.4301 -14.4879 -0.357254 38.3781 -64.4301 38.3781 -6.78713 GPRESSAVG: 1835400 -1.19492 -13.8909 -65.839 -15.144 -0.985465 39.2849 -63.8127 39.4964 -6.72262 TIMING: 1835400 CPU: 5321.34, 0.00289963/step Wall: 5321.34, 0.00289963/step, 2.54893 hours remaining, 207.574219 MB of memory in use. ENERGY: 1835400 777.1641 2127.3888 1957.3626 119.6674 -206282.0037 17959.8369 0.0000 0.0000 34244.0437 -149096.5402 299.0618 -183340.5839 -149012.2577 299.3927 -0.3464 31.3612 559413.4217 -2.9747 -2.9677 PRESSURE: 1835600 39.8442 27.6252 -94.0041 27.6261 -244.056 -33.0316 -94.0031 -33.0315 -247.771 GPRESSURE: 1835600 12.9105 -11.7561 -90.5265 27.3763 -156.581 35.2477 -93.4543 -27.3855 -211.525 PRESSAVG: 1835600 41.5894 -16.3151 -50.4705 -16.3151 -18.5582 -12.8958 -50.4705 -12.8957 1.45302 GPRESSAVG: 1835600 41.9102 -17.6618 -49.2379 -16.4903 -18.5266 -12.2686 -49.8793 -13.2582 1.46769 TIMING: 1835600 CPU: 5321.92, 0.00289455/step Wall: 5321.92, 0.00289455/step, 2.54431 hours remaining, 207.574219 MB of memory in use. ENERGY: 1835600 751.9179 2103.1275 1972.9297 129.1739 -206053.6126 17724.1582 0.0000 0.0000 34292.7616 -149079.5438 299.4872 -183372.3054 -148981.8402 299.3619 -150.6607 -118.3985 560960.0910 8.1614 8.2838 PRESSURE: 1835800 132.605 160.564 -149.835 160.565 -37.0598 -129.403 -149.834 -129.405 -8.64514 GPRESSURE: 1835800 172.47 192.392 -227.95 87.2328 -40.311 -244.211 -105.344 -31.2067 57.1322 PRESSAVG: 1835800 -15.4619 -31.9251 16.553 -31.9252 21.5321 -31.3692 16.553 -31.3692 5.6553 GPRESSAVG: 1835800 -15.1134 -32.2621 15.7861 -31.9667 21.8609 -30.7657 14.8409 -32.4266 5.26103 TIMING: 1835800 CPU: 5322.5, 0.00291676/step Wall: 5322.5, 0.00291676/step, 2.56367 hours remaining, 207.574219 MB of memory in use. ENERGY: 1835800 737.0543 2111.2785 1948.1929 106.8411 -205955.2763 17859.3379 0.0000 0.0000 34048.3056 -149144.2660 297.3523 -183192.5716 -149048.4114 299.2346 28.9665 63.0969 558931.1998 3.9085 4.0028 PRESSURE: 1836000 -27.8617 -176.383 7.3676 -176.384 -20.3365 -94.8759 7.36673 -94.8756 188.219 GPRESSURE: 1836000 -26.2918 -147.104 6.58316 -147.772 12.023 -12.7101 63.5125 -100.461 251.877 PRESSAVG: 1836000 -21.0913 -48.1827 21.8218 -48.1827 -22.2581 3.10804 21.8218 3.10812 29.0951 GPRESSAVG: 1836000 -21.0722 -49.1722 21.4558 -48.4623 -22.1552 5.27248 24.3125 3.29799 29.2201 TIMING: 1836000 CPU: 5323.08, 0.00290173/step Wall: 5323.08, 0.00290173/step, 2.5503 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1836000 752.2380 2102.1728 1974.7051 114.0492 -206401.2340 18004.3901 0.0000 0.0000 34289.6975 -149163.9814 299.4605 -183453.6789 -149071.4898 299.2306 46.6736 79.2029 557077.9016 -4.7514 -4.6691 PRESSURE: 1836200 -326.957 53.5533 65.0997 53.5549 -26.6997 33.5126 65.1009 33.5119 158.488 GPRESSURE: 1836200 -295.98 41.4625 96.9371 0.47657 16.3201 -1.62384 19.2741 70.4478 171.902 PRESSAVG: 1836200 -1.08322 21.3976 2.87058 21.3975 32.7288 8.19375 2.87059 8.19371 -13.9863 GPRESSAVG: 1836200 -1.42477 21.0299 1.73945 20.4803 33.3892 7.80524 1.9842 8.84921 -14.4773 TIMING: 1836200 CPU: 5323.67, 0.00293073/step Wall: 5323.67, 0.00293073/step, 2.57562 hours remaining, 207.574219 MB of memory in use. ENERGY: 1836200 743.5469 2150.2775 1977.6833 117.5560 -206035.6582 17574.4528 0.0000 0.0000 34279.3116 -149192.8300 299.3698 -183472.1416 -149089.0466 299.3439 -65.0563 -35.9192 557511.0769 5.8864 5.8291 LDB: ============= START OF LOAD BALANCING ============== 5327.06 LDB: ============== END OF LOAD BALANCING =============== 5327.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5327.06 LDB: ============= START OF LOAD BALANCING ============== 5327.35 LDB: Largest compute 4820 load 0.024777 is 21.0% of average load 0.117884 LDB: Average compute 0.001729 is 1.5% of average load 0.117884 LDB: TIME 5327.35 LOAD: AVG 0.117884 MAX 0.181284 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.75 MB LDB: TIME 5327.35 LOAD: AVG 0.117884 MAX 0.181284 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.82 MB LDB: TIME 5327.35 LOAD: AVG 0.117884 MAX 0.181284 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.82 MB LDB: ============== END OF LOAD BALANCING =============== 5327.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5327.36 PRESSURE: 1836400 -188.07 -102.555 -94.6754 -102.555 -202.99 -96.8099 -94.6755 -96.8098 -235.227 GPRESSURE: 1836400 -144.388 -66.6518 -35.6122 -99.6065 -135.185 -88.2883 -152.926 -67.0276 -243.718 PRESSAVG: 1836400 -22.013 28.9096 -28.6628 28.9097 16.5024 -38.2124 -28.6627 -38.2124 -5.66518 GPRESSAVG: 1836400 -22.6482 29.8482 -26.093 29.6593 17.5631 -40.0319 -29.0205 -38.6995 -6.00597 TIMING: 1836400 CPU: 5324.26, 0.00297163/step Wall: 5324.26, 0.00297163/step, 2.6114 hours remaining, 208.289062 MB of memory in use. ENERGY: 1836400 739.6863 2128.2633 1972.4795 105.1471 -205950.9576 17633.7600 0.0000 0.0000 34277.0404 -149094.5810 299.3499 -183371.6214 -148998.7061 299.4331 -208.7625 -174.4305 558887.3586 -3.7253 -3.6970 PRESSURE: 1836600 -62.328 76.5153 -206.839 76.5155 188.612 -36.7877 -206.84 -36.7871 189.007 GPRESSURE: 1836600 3.63187 51.939 -268.697 67.2758 212.143 -20.4037 -120.673 33.8264 205.128 PRESSAVG: 1836600 -23.8687 -0.980523 -36.3098 -0.980561 10.3602 -40.9791 -36.3098 -40.9792 40.8586 GPRESSAVG: 1836600 -22.5601 -0.09193 -37.8112 -3.57306 9.26701 -39.3683 -36.3986 -44.2533 41.1032 TIMING: 1836600 CPU: 5324.85, 0.00291784/step Wall: 5324.85, 0.00291784/step, 2.56397 hours remaining, 208.289062 MB of memory in use. ENERGY: 1836600 773.3891 2116.8982 1952.7594 118.7025 -206467.4107 18123.6500 0.0000 0.0000 34370.6032 -149011.4084 300.1670 -183382.0116 -148917.7351 299.5445 105.0971 140.3009 558752.6108 9.1167 9.2700 PRESSURE: 1836800 -21.8185 45.4203 -62.0179 45.42 -380.315 -33.5854 -62.0189 -33.5826 -190.923 GPRESSURE: 1836800 -26.165 6.91145 -6.41313 58.9053 -341.131 -7.01139 -138.666 -46.2723 -125.593 PRESSAVG: 1836800 -24.3536 -5.1154 -10.6946 -5.11547 11.622 -10.8556 -10.6947 -10.8555 -24.4695 GPRESSAVG: 1836800 -24.3142 -7.02127 -10.5276 -1.2859 11.1532 -11.1515 -11.9538 -11.1584 -23.5572 TIMING: 1836800 CPU: 5325.42, 0.00288057/step Wall: 5325.42, 0.00288057/step, 2.53106 hours remaining, 208.289062 MB of memory in use. ENERGY: 1836800 798.7197 2098.6323 1971.0397 113.8667 -206007.7656 17581.9236 0.0000 0.0000 34454.6762 -148988.9074 300.9013 -183443.5835 -148890.9177 300.4013 -197.6852 -164.2964 559149.9691 -12.4004 -12.2394 PRESSURE: 1837000 58.284 10.2414 -75.1399 10.2426 -233.644 16.4652 -75.1399 16.465 269.194 GPRESSURE: 1837000 44.0353 64.317 -24.9741 -24.7133 -115.106 124.484 -132.775 -44.0929 271.07 PRESSAVG: 1837000 -44.5793 7.94994 -12.2264 7.95005 -21.1644 -26.5729 -12.2263 -26.5729 47.2603 GPRESSAVG: 1837000 -46.1176 9.23695 -14.048 5.38112 -19.9709 -25.0402 -9.86146 -25.7106 47.4508 TIMING: 1837000 CPU: 5326, 0.00288371/step Wall: 5326, 0.00288371/step, 2.53366 hours remaining, 208.289062 MB of memory in use. ENERGY: 1837000 724.9039 2116.4732 1964.1462 122.8651 -206440.7937 17969.9799 0.0000 0.0000 34347.8142 -149194.6112 299.9680 -183542.4255 -149088.3450 300.2592 31.2779 66.6666 558177.3397 -6.1611 -6.2126 PRESSURE: 1837200 -215.761 171.235 -82.9501 171.234 -52.9923 108.147 -82.9492 108.148 3.37255 GPRESSURE: 1837200 -241.322 190.464 -74.9874 103.872 7.36262 112.449 -120.362 86.029 61.6282 PRESSAVG: 1837200 -41.8314 45.9466 -73.7453 45.9465 41.5229 -38.2027 -73.7452 -38.2026 16.458 GPRESSAVG: 1837200 -40.5665 45.7487 -71.6461 48.1907 40.7022 -40.4865 -75.6782 -36.7271 16.3652 TIMING: 1837200 CPU: 5326.59, 0.00293213/step Wall: 5326.59, 0.00293213/step, 2.57604 hours remaining, 208.492188 MB of memory in use. ENERGY: 1837200 729.8034 2107.3694 1965.4341 108.5746 -206201.1587 17750.4016 0.0000 0.0000 34315.0738 -149224.5017 299.6821 -183539.5756 -149124.0714 299.7612 -88.4603 -57.4438 557120.2415 5.3832 5.5003 PRESSURE: 1837400 234.288 67.5626 206.788 67.5626 -219.808 -74.8874 206.788 -74.8884 204.505 GPRESSURE: 1837400 272.368 53.0122 169.273 55.1152 -184.308 -48.2635 266.346 -50.8104 211.784 PRESSAVG: 1837400 -39.2526 -25.8173 5.05926 -25.8173 -10.0396 14.9616 5.05926 14.9615 11.9692 GPRESSAVG: 1837400 -39.548 -24.5758 3.35164 -28.0696 -10.2301 15.5774 6.15556 15.0265 12.1046 TIMING: 1837400 CPU: 5327.17, 0.00291956/step Wall: 5327.17, 0.00291956/step, 2.56483 hours remaining, 208.691406 MB of memory in use. ENERGY: 1837400 718.7284 2135.9708 1960.1349 109.4934 -206442.1432 17973.7094 0.0000 0.0000 34230.3454 -149313.7609 298.9421 -183544.1063 -149218.4648 299.2296 72.9952 99.9483 557452.1777 -12.4410 -12.5579 PRESSURE: 1837600 300.037 75.3427 -47.0924 75.3415 466.34 -62.0839 -47.0926 -62.0853 304.273 GPRESSURE: 1837600 317.886 152.438 -16.1507 48.26 530.226 -56.1791 -92.2799 -37.2045 317.656 PRESSAVG: 1837600 -51.8854 -4.61859 -31.8216 -4.61864 4.76159 36.9153 -31.8215 36.9153 -0.446504 GPRESSAVG: 1837600 -51.1123 -6.50404 -30.4873 -3.60588 3.73273 36.4205 -31.9738 37.8142 -0.651354 TIMING: 1837600 CPU: 5327.75, 0.00291929/step Wall: 5327.75, 0.00291929/step, 2.56443 hours remaining, 208.691406 MB of memory in use. ENERGY: 1837600 746.2586 2120.2344 1950.8619 112.7632 -207050.2595 18644.7687 0.0000 0.0000 34004.4655 -149470.9072 296.9695 -183475.3727 -149372.1779 298.2499 356.8835 388.5890 556450.0633 -15.8568 -16.0103 PRESSURE: 1837800 132.164 -107.924 -133.485 -107.925 321.114 -65.9625 -133.487 -65.9641 105.836 GPRESSURE: 1837800 145.838 -90.8007 -100.564 -98.9731 364.312 -4.24963 -138.359 -53.6627 137.993 PRESSAVG: 1837800 -8.76855 35.509 -8.23187 35.509 45.0838 -64.2912 -8.23182 -64.2911 8.20787 GPRESSAVG: 1837800 -7.98061 36.1853 -8.54065 34.3769 44.1735 -62.4867 -6.98936 -64.5464 8.54323 TIMING: 1837800 CPU: 5328.34, 0.00291167/step Wall: 5328.34, 0.00291167/step, 2.55758 hours remaining, 208.691406 MB of memory in use. ENERGY: 1837800 732.3118 2059.8762 1954.6456 113.5456 -206884.5592 18228.6148 0.0000 0.0000 34427.2218 -149368.3435 300.6615 -183795.5653 -149264.2281 298.6706 186.3713 216.0477 555497.9696 14.8410 14.9121 PRESSURE: 1838000 -181.52 60.5961 21.926 60.5957 -261.657 -107.871 21.9273 -107.872 -324.366 GPRESSURE: 1838000 -134.598 43.3239 17.3317 137.842 -278.223 -61.5251 139.644 -127.354 -257.698 PRESSAVG: 1838000 -77.9667 -2.26072 -1.42796 -2.26075 52.0141 -17.0051 -1.42796 -17.0051 23.6198 GPRESSAVG: 1838000 -78.1466 -2.53984 -1.76768 -1.73603 53.1806 -18.5627 -0.997595 -17.241 23.2591 TIMING: 1838000 CPU: 5328.92, 0.00289441/step Wall: 5328.92, 0.00289441/step, 2.54226 hours remaining, 208.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1838000 781.5789 2090.3260 1953.4769 119.5007 -205871.1482 17468.0405 0.0000 0.0000 34226.2506 -149231.9746 298.9064 -183458.2252 -149137.1480 299.2010 -255.8476 -223.5063 558649.9383 -0.7776 -0.5690 PRESSURE: 1838200 22.8226 -215.505 -9.99869 -215.506 1.11749 -59.1402 -9.99932 -59.1408 -132.17 GPRESSURE: 1838200 -17.9831 -201.196 -30.7241 -207.462 112.856 -46.8402 10.3505 -51.7482 -101.094 PRESSAVG: 1838200 -24.1537 -10.1111 -18.9918 -10.1111 27.6128 -37.4531 -18.9917 -37.4532 2.63264 GPRESSAVG: 1838200 -23.6042 -9.61942 -17.4042 -9.39722 27.6182 -35.1475 -20.4079 -39.8658 2.38762 TIMING: 1838200 CPU: 5329.49, 0.00289409/step Wall: 5329.49, 0.00289409/step, 2.54181 hours remaining, 208.691406 MB of memory in use. ENERGY: 1838200 742.0512 2150.4105 1952.9552 114.0710 -206141.2259 17841.4204 0.0000 0.0000 34239.7179 -149100.5997 299.0240 -183340.3176 -149003.4966 299.0038 -36.0768 -2.0736 558132.8594 2.0306 2.1339 PRESSURE: 1838400 -150.926 208.125 94.7016 208.125 -156.575 -24.9107 94.7022 -24.9116 -59.2285 GPRESSURE: 1838400 -165.663 244.629 128.975 140.38 -95.3629 -27.8768 78.0815 38.5918 -1.83202 PRESSAVG: 1838400 -70.2708 -7.19071 7.61477 -7.19078 19.3705 -23.8531 7.61479 -23.853 60.9912 GPRESSAVG: 1838400 -71.2474 -7.48466 5.38434 -6.87262 19.3103 -26.1194 7.83532 -21.1289 61.9475 TIMING: 1838400 CPU: 5330.08, 0.00290446/step Wall: 5330.08, 0.00290446/step, 2.55076 hours remaining, 208.691406 MB of memory in use. ENERGY: 1838400 763.0430 2115.6011 1977.9214 125.9133 -206143.5108 17707.6461 0.0000 0.0000 34442.7444 -149010.6416 300.7971 -183453.3860 -148905.8115 299.8757 -122.2431 -87.6194 558949.2350 3.3636 3.3368 PRESSURE: 1838600 -122.781 -39.6822 -148.725 -39.6822 -379.42 169.885 -148.724 169.885 -222.457 GPRESSURE: 1838600 -85.614 -23.537 -85.1908 -12.7227 -343.807 149.839 -211.168 202.353 -195.857 PRESSAVG: 1838600 -88.8824 -24.4426 -41.7704 -24.4426 13.1544 14.9966 -41.7705 14.9967 50.0247 GPRESSAVG: 1838600 -89.2417 -24.2491 -39.0718 -24.0312 12.9503 17.7565 -41.2552 12.2906 51.3172 TIMING: 1838600 CPU: 5330.66, 0.00291108/step Wall: 5330.66, 0.00291108/step, 2.55641 hours remaining, 208.691406 MB of memory in use. ENERGY: 1838600 753.8883 2132.5808 1949.9830 117.8327 -205819.4604 17524.0340 0.0000 0.0000 34187.1164 -149154.0253 298.5646 -183341.1416 -149056.6663 299.5821 -241.5530 -208.4262 558454.1723 -8.5678 -8.3248 PRESSURE: 1838800 136.087 105.55 -84.2007 105.549 9.83321 -79.9344 -84.2006 -79.9348 -41.1707 GPRESSURE: 1838800 115.801 127.801 -53.0172 190.446 88.5094 -62.9802 -125.779 -44.9126 -4.78858 PRESSAVG: 1838800 3.83797 12.578 -23.5447 12.578 46.0154 19.7607 -23.5447 19.7609 -10.8318 GPRESSAVG: 1838800 3.9367 11.4199 -25.5031 13.8542 46.9898 19.2202 -24.511 20.0811 -11.9357 TIMING: 1838800 CPU: 5331.25, 0.00294528/step Wall: 5331.25, 0.00294528/step, 2.58628 hours remaining, 208.691406 MB of memory in use. ENERGY: 1838800 731.6518 2117.7028 1947.7314 105.0466 -206539.1685 17920.9977 0.0000 0.0000 34435.2233 -149280.8149 300.7314 -183716.0382 -149188.0379 299.2204 34.9166 66.5071 557154.1977 13.0072 12.9969 PRESSURE: 1839000 -79.386 -10.3523 -13.1262 -10.3514 53.1277 -28.1095 -13.1273 -28.1106 163.261 GPRESSURE: 1839000 -48.0884 52.4411 9.93236 -21.6256 97.4907 -121.966 14.7871 -24.6101 182.726 PRESSAVG: 1839000 -35.1536 42.3989 -49.3422 42.399 38.0934 -20.3991 -49.3422 -20.3991 17.1495 GPRESSAVG: 1839000 -35.0273 42.0813 -50.232 40.5717 38.0811 -21.2702 -48.1466 -19.9628 17.3781 TIMING: 1839000 CPU: 5331.83, 0.002903/step Wall: 5331.83, 0.002903/step, 2.549 hours remaining, 208.691406 MB of memory in use. ENERGY: 1839000 778.8235 2162.8772 1959.4191 121.0556 -206742.1201 18141.4623 0.0000 0.0000 34283.2018 -149295.2807 299.4037 -183578.4825 -149202.6900 299.8241 45.6674 77.3762 556388.1382 6.6964 6.8106 PRESSURE: 1839200 -39.5478 191.784 -88.3795 191.784 236.735 72.9727 -88.3796 72.9732 -166.41 GPRESSURE: 1839200 27.4665 212.816 -69.052 181.528 253.019 2.50639 -166.593 46.8814 -157.295 PRESSAVG: 1839200 -66.0901 53.8708 -58.8823 53.8708 63.0364 38.1236 -58.8823 38.1236 11.8676 GPRESSAVG: 1839200 -64.6443 54.5232 -56.73 52.8749 61.7469 38.3812 -60.5698 38.9354 11.4053 TIMING: 1839200 CPU: 5332.41, 0.00291332/step Wall: 5332.41, 0.00291332/step, 2.5579 hours remaining, 208.691406 MB of memory in use. ENERGY: 1839200 751.1075 2139.5520 1948.4776 120.6690 -206500.4772 17843.8265 0.0000 0.0000 34225.3700 -149471.4745 298.8987 -183696.8446 -149376.9753 298.8425 10.2588 41.0636 556189.9966 2.9380 2.8360 PRESSURE: 1839400 -74.772 -14.1902 183.543 -14.1901 48.6916 -129.666 183.543 -129.667 -50.5975 GPRESSURE: 1839400 -75.6699 -6.25958 245.727 -60.1241 108.661 -183.261 178.647 -186.113 -1.14273 PRESSAVG: 1839400 -35.0953 44.7124 7.45393 44.7124 87.8366 -9.84773 7.45401 -9.84773 -42.9204 GPRESSAVG: 1839400 -34.6328 45.7822 3.94712 44.547 88.5372 -10.2012 11.583 -8.88156 -43.7916 TIMING: 1839400 CPU: 5332.99, 0.00292033/step Wall: 5332.99, 0.00292033/step, 2.56389 hours remaining, 208.691406 MB of memory in use. ENERGY: 1839400 749.6583 2112.9329 1947.1960 113.0365 -206166.8750 17825.0373 0.0000 0.0000 34138.9473 -149280.0668 298.1439 -183419.0141 -149176.8727 298.7772 -25.5593 10.6162 558297.2985 3.2736 3.3709 PRESSURE: 1839600 -167.251 -74.3774 -114.535 -74.3765 -33.2325 -11.017 -114.536 -11.0152 -296.771 GPRESSURE: 1839600 -162.809 -13.9917 -113.907 -36.4919 -50.2489 -78.7202 -93.7857 31.5932 -188.36 PRESSAVG: 1839600 -79.823 51.1897 16.912 51.1897 27.043 -2.76544 16.912 -2.76551 32.2274 GPRESSAVG: 1839600 -79.5378 51.0256 18.7724 52.9602 25.3138 -3.3965 13.804 -3.27322 33.7798 TIMING: 1839600 CPU: 5333.58, 0.002926/step Wall: 5333.58, 0.002926/step, 2.5687 hours remaining, 208.691406 MB of memory in use. ENERGY: 1839600 771.0840 2146.9234 1990.9241 110.2630 -206183.2132 17673.3126 0.0000 0.0000 34098.9359 -149391.7702 297.7945 -183490.7061 -149287.6871 298.6085 -165.7516 -133.8059 557105.9346 -6.8509 -6.8147 PRESSURE: 1839800 -55.0579 52.9151 136.345 52.9143 -107.616 -176.216 136.345 -176.216 -111.625 GPRESSURE: 1839800 -25.7571 -10.4299 133.767 114.84 -29.4219 -200.604 165.775 -151.894 -122.35 PRESSAVG: 1839800 -56.0256 -29.3332 9.35588 -29.3332 73.8194 -47.2748 9.35589 -47.2747 -38.0832 GPRESSAVG: 1839800 -57.2867 -28.1345 10.5928 -30.8227 74.9786 -47.2175 8.99477 -47.2352 -37.876 TIMING: 1839800 CPU: 5334.16, 0.00288252/step Wall: 5334.16, 0.00288252/step, 2.53038 hours remaining, 208.691406 MB of memory in use. ENERGY: 1839800 772.6918 2109.4779 1941.2906 121.7356 -206448.6747 17847.2683 0.0000 0.0000 34254.8580 -149401.3526 299.1562 -183656.2106 -149301.4194 298.6603 -91.4326 -59.1763 557859.2899 -6.7631 -6.7280 PRESSURE: 1840000 34.1536 -70.3724 110.233 -70.3729 9.76208 -4.04239 110.233 -4.0436 -102.081 GPRESSURE: 1840000 47.2142 -17.9669 105.46 -75.8594 27.9433 49.4491 87.2437 -79.5525 -25.6733 PRESSAVG: 1840000 23.4804 -57.1067 44.2376 -57.1066 18.2597 9.1055 44.2375 9.10554 -65.3668 GPRESSAVG: 1840000 23.7656 -58.7771 43.2631 -56.083 17.811 8.66626 44.9386 10.8504 -65.1508 TIMING: 1840000 CPU: 5334.73, 0.00288109/step Wall: 5334.73, 0.00288109/step, 2.52896 hours remaining, 208.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1840000 744.1757 2098.0751 1966.6770 107.6898 -206523.1601 17683.2072 0.0000 0.0000 34202.9992 -149720.3361 298.7033 -183923.3353 -149629.0641 298.4547 -19.3883 16.4948 557045.4645 -7.8755 -7.8581 PRESSURE: 1840200 -21.7137 -45.3405 172.268 -45.3407 -13.7849 -44.5865 172.269 -44.5864 38.6331 GPRESSURE: 1840200 4.62194 -49.6892 185.052 -95.7298 25.031 -68.254 87.0671 66.9387 69.0188 PRESSAVG: 1840200 -36.3307 -93.7329 -0.445777 -93.7328 -30.8928 12.3477 -0.445859 12.3477 60.2242 GPRESSAVG: 1840200 -37.2514 -92.6061 0.836634 -94.874 -29.858 11.6857 1.23387 10.4213 60.1694 TIMING: 1840200 CPU: 5335.31, 0.00288032/step Wall: 5335.31, 0.00288032/step, 2.52812 hours remaining, 208.691406 MB of memory in use. ENERGY: 1840200 769.5424 2119.6597 1978.3024 127.1843 -206521.6850 17706.1571 0.0000 0.0000 34175.7857 -149645.0534 298.4656 -183820.8391 -149539.3379 298.2461 1.0448 32.8906 555573.1254 -2.3331 -2.3134 LDB: ============= START OF LOAD BALANCING ============== 5338.69 LDB: ============== END OF LOAD BALANCING =============== 5338.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5338.69 LDB: ============= START OF LOAD BALANCING ============== 5338.98 LDB: Largest compute 4820 load 0.024709 is 20.9% of average load 0.117960 LDB: Average compute 0.001719 is 1.5% of average load 0.117960 LDB: TIME 5338.98 LOAD: AVG 0.11796 MAX 0.179848 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.523 MB LDB: TIME 5338.98 LOAD: AVG 0.11796 MAX 0.179848 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.523 MB LDB: TIME 5338.98 LOAD: AVG 0.11796 MAX 0.179848 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.523 MB LDB: ============== END OF LOAD BALANCING =============== 5338.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5338.99 PRESSURE: 1840400 97.8632 16.6626 6.83453 16.6625 143.927 -153.224 6.83493 -153.222 -37.7326 GPRESSURE: 1840400 51.8713 31.2045 19.4223 111.303 223.702 -213.707 -73.4815 -93.1536 14.8745 PRESSAVG: 1840400 -7.58552 -4.89681 -26.0431 -4.89687 37.9306 42.378 -26.0431 42.378 -11.2124 GPRESSAVG: 1840400 -6.2925 -3.6556 -27.2046 -4.34394 36.6479 41.5934 -27.1502 42.8519 -11.011 TIMING: 1840400 CPU: 5335.89, 0.00293488/step Wall: 5335.89, 0.00293488/step, 2.57585 hours remaining, 208.179688 MB of memory in use. ENERGY: 1840400 743.5923 2126.3372 1977.8927 114.8006 -206516.7570 17834.2957 0.0000 0.0000 34064.4004 -149655.4380 297.4929 -183719.8385 -149561.6347 298.3786 68.0193 96.8158 554658.1529 6.3776 6.4481 PRESSURE: 1840600 -273.687 71.4432 132.399 71.4419 302.214 -135.847 132.397 -135.848 115.883 GPRESSURE: 1840600 -220.407 69.8102 163.17 74.7073 308.432 -135.004 129.383 -217.966 157.996 PRESSAVG: 1840600 -27.5651 -6.02445 23.2516 -6.02448 68.9198 2.95321 23.2516 2.95328 -71.6166 GPRESSAVG: 1840600 -28.461 -6.28301 26.8964 -4.98731 69.3052 3.71406 21.7446 4.7829 -71.3153 TIMING: 1840600 CPU: 5336.47, 0.00285974/step Wall: 5336.47, 0.00285974/step, 2.50974 hours remaining, 208.179688 MB of memory in use. ENERGY: 1840600 739.7503 2126.8067 1939.9134 111.5466 -206387.7162 17867.4936 0.0000 0.0000 33993.4298 -149608.7757 296.8731 -183602.2056 -149513.8879 298.4237 48.1367 82.0071 556415.5287 -10.0873 -10.1570 PRESSURE: 1840800 -415.915 171.491 -262.717 171.492 -35.278 29.916 -262.718 29.9151 -331.15 GPRESSURE: 1840800 -378.211 174.846 -233.798 198.262 -12.5675 -14.5375 -281.615 5.31346 -297.299 PRESSAVG: 1840800 -39.1947 71.7617 24.9016 71.7617 92.6856 -23.7031 24.9016 -23.7031 -70.1835 GPRESSAVG: 1840800 -39.5968 70.6877 23.3128 71.5655 93.2866 -21.5209 25.9659 -25.8618 -70.3331 TIMING: 1840800 CPU: 5337.04, 0.00288363/step Wall: 5337.04, 0.00288363/step, 2.53055 hours remaining, 208.179688 MB of memory in use. ENERGY: 1840800 786.9830 2148.1006 1958.9552 119.1781 -206691.3630 17666.8370 0.0000 0.0000 34202.6170 -149808.6920 298.7000 -184011.3090 -149711.2720 297.7046 -260.7808 -229.3591 556682.2293 -5.5642 -5.5478 PRESSURE: 1841000 -310.947 24.9139 -68.0954 24.9139 -228.303 -36.1639 -68.0954 -36.1635 31.0714 GPRESSURE: 1841000 -219.168 -21.312 -60.3916 46.639 -203.103 -130.956 -86.2232 -33.6831 13.5509 PRESSAVG: 1841000 -39.2655 20.4206 -60.7671 20.4206 1.23776 -5.60555 -60.7671 -5.6056 79.6736 GPRESSAVG: 1841000 -38.5123 19.5936 -60.0735 19.0403 0.985764 -5.77336 -61.4833 -5.37145 78.7771 TIMING: 1841000 CPU: 5337.62, 0.00289938/step Wall: 5337.62, 0.00289938/step, 2.5442 hours remaining, 208.179688 MB of memory in use. ENERGY: 1841000 743.6128 2107.6629 1967.6699 112.5480 -206849.1004 17789.8362 0.0000 0.0000 34368.0348 -149759.7358 300.1446 -184127.7706 -149664.0546 298.3157 -169.3929 -136.2402 555143.4607 13.8820 13.7502 PRESSURE: 1841200 263.847 112.436 -17.8986 112.436 114.653 91.6145 -17.8989 91.6161 136.851 GPRESSURE: 1841200 262.868 124.804 10.1858 93.7322 155.63 82.6075 -7.50852 -3.96326 190.144 PRESSAVG: 1841200 43.9529 53.0034 57.9993 53.0034 -58.7052 25.5651 57.9993 25.5651 -19.434 GPRESSAVG: 1841200 44.9419 52.5856 57.7341 54.6424 -59.4247 24.8876 59.4023 25.0791 -19.6954 TIMING: 1841200 CPU: 5338.2, 0.00289585/step Wall: 5338.2, 0.00289585/step, 2.54095 hours remaining, 208.179688 MB of memory in use. ENERGY: 1841200 778.3206 2083.3026 1943.9412 118.9931 -206945.6630 18039.2570 0.0000 0.0000 34336.0790 -149645.7695 299.8655 -183981.8486 -149550.9119 297.6633 171.7840 202.8809 552254.7824 -11.3954 -11.3927 PRESSURE: 1841400 153.784 5.97265 28.6426 5.97363 31.3585 40.9928 28.6422 40.9942 320.676 GPRESSURE: 1841400 169.204 58.4559 20.0439 -63.7072 57.9964 138.324 -17.0304 -77.251 379.713 PRESSAVG: 1841400 31.2106 4.9335 18.9124 4.93348 -4.92646 -12.5029 18.9125 -12.5029 -15.6904 GPRESSAVG: 1841400 28.7447 5.94067 18.0926 5.55312 -4.46753 -11.2065 17.5292 -10.2884 -13.8694 TIMING: 1841400 CPU: 5338.78, 0.00290574/step Wall: 5338.78, 0.00290574/step, 2.54946 hours remaining, 208.179688 MB of memory in use. ENERGY: 1841400 733.1252 2062.8147 1964.6663 115.4678 -206868.3751 18002.6471 0.0000 0.0000 34275.2169 -149714.4371 299.3340 -183989.6540 -149609.6638 298.6154 168.6060 202.3045 554513.8301 3.5313 3.4693 PRESSURE: 1841600 15.7355 11.2182 126.729 11.2185 -361.938 36.4776 126.731 36.4776 49.0699 GPRESSURE: 1841600 31.2608 -22.5382 25.9489 25.4231 -308.661 14.9653 171.158 127.661 81.4972 PRESSAVG: 1841600 33.4225 -10.8548 13.7555 -10.8548 9.88136 11.0758 13.7555 11.0759 25.2637 GPRESSAVG: 1841600 34.8911 -10.194 12.4785 -12.2891 10.1148 11.8936 15.1599 8.59894 23.5493 TIMING: 1841600 CPU: 5339.36, 0.00287511/step Wall: 5339.36, 0.00287511/step, 2.52243 hours remaining, 208.179688 MB of memory in use. ENERGY: 1841600 779.9780 2045.2129 1950.3157 113.4409 -206431.4986 17758.5428 0.0000 0.0000 34101.4153 -149682.5930 297.8161 -183784.0083 -149584.5006 297.6097 -99.0443 -65.3010 555753.4439 22.8559 22.8517 PRESSURE: 1841800 73.5742 11.9089 10.8987 11.9085 260.938 -43.2482 10.8973 -43.2488 203.193 GPRESSURE: 1841800 161.171 -41.8628 -11.2253 86.3836 264.74 -16.1412 -0.571765 -20.6579 200.19 PRESSAVG: 1841800 46.0838 15.3877 3.25747 15.3876 -25.0107 40.3504 3.25744 40.3504 17.4366 GPRESSAVG: 1841800 46.7071 13.3245 5.89323 17.4519 -26.7362 39.3528 1.8528 42.915 18.3531 TIMING: 1841800 CPU: 5339.94, 0.00288746/step Wall: 5339.94, 0.00288746/step, 2.5331 hours remaining, 208.179688 MB of memory in use. ENERGY: 1841800 718.6306 2081.5802 1922.7033 109.3608 -207048.1950 17979.6472 0.0000 0.0000 34432.8800 -149803.3929 300.7109 -184236.2729 -149706.2322 298.6102 179.2350 208.7001 554562.2791 12.8366 12.7746 PRESSURE: 1842000 -3.1605 -166.274 153.591 -166.273 -207.342 -171.943 153.592 -171.942 -366.544 GPRESSURE: 1842000 37.0677 -98.0794 107.796 -251.588 -198.225 -220.685 154.66 -153.301 -320.383 PRESSAVG: 1842000 -2.48793 -8.88211 44.715 -8.88213 22.8648 13.1402 44.715 13.1403 -8.7751 GPRESSAVG: 1842000 -2.30145 -6.39727 42.2855 -11.0422 23.6419 13.4245 44.9485 12.881 -9.32288 TIMING: 1842000 CPU: 5340.52, 0.00290245/step Wall: 5340.52, 0.00290245/step, 2.54609 hours remaining, 208.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1842000 725.7852 2119.1582 1941.9123 105.1029 -206407.5446 17616.9488 0.0000 0.0000 34129.2492 -149769.3880 298.0592 -183898.6372 -149670.8709 297.4078 -192.3490 -160.5135 557748.6288 3.8673 4.0059 PRESSURE: 1842200 -13.5204 99.8282 -168.146 99.8277 138.242 76.3968 -168.145 76.3963 -70.7024 GPRESSURE: 1842200 -0.940207 50.0925 -108.626 168.929 159.178 91.6875 -225.63 85.2526 -20.8622 PRESSAVG: 1842200 -58.7068 8.25878 8.09228 8.2588 37.0149 35.2865 8.09223 35.2864 17.2245 GPRESSAVG: 1842200 -60.5796 6.78728 9.5514 8.52281 37.9589 34.8256 8.14448 35.4046 17.2413 TIMING: 1842200 CPU: 5341.1, 0.00290037/step Wall: 5341.1, 0.00290037/step, 2.54411 hours remaining, 208.179688 MB of memory in use. ENERGY: 1842200 736.1065 2030.9517 1951.5721 123.0694 -206842.8527 18025.7245 0.0000 0.0000 34110.5984 -149864.8302 297.8963 -183975.4285 -149769.7474 297.3407 18.0065 45.7918 556376.9084 -1.4891 -1.7932 PRESSURE: 1842400 -187.552 11.4896 -28.4836 11.4905 -176.162 161.153 -28.4836 161.152 -113.624 GPRESSURE: 1842400 -181.24 -23.7661 -86.8908 47.8442 -140.111 98.047 19.8971 135.549 -46.9972 PRESSAVG: 1842400 -16.5768 40.9801 -6.36333 40.9802 5.3328 -13.8071 -6.36327 -13.8071 2.88653 GPRESSAVG: 1842400 -16.0631 41.5003 -4.69124 41.1574 4.87926 -14.0443 -6.4107 -13.7941 3.5397 TIMING: 1842400 CPU: 5341.68, 0.00290315/step Wall: 5341.68, 0.00290315/step, 2.54638 hours remaining, 208.179688 MB of memory in use. ENERGY: 1842400 758.4378 2060.5146 1959.3053 118.9105 -206461.4272 17749.2384 0.0000 0.0000 34182.3760 -149632.6447 298.5232 -183815.0207 -149541.6075 297.7080 -159.1122 -122.7828 558320.5651 -2.7858 -2.5481 PRESSURE: 1842600 48.737 -79.9437 -79.4541 -79.9436 -224.857 79.809 -79.4547 79.8093 73.9128 GPRESSURE: 1842600 80.4415 -48.1807 25.9847 -43.8831 -168.284 -10.9966 -115.562 117.988 81.9468 PRESSAVG: 1842600 3.26531 36.3067 0.313795 36.3067 -46.5469 21.3093 0.31376 21.3095 80.23 GPRESSAVG: 1842600 2.62496 34.5104 -0.629361 38.1397 -46.1717 21.7953 -0.567629 20.6314 80.5551 TIMING: 1842600 CPU: 5342.26, 0.00292796/step Wall: 5342.26, 0.00292796/step, 2.56798 hours remaining, 208.179688 MB of memory in use. ENERGY: 1842600 708.2703 2109.2028 1954.5182 114.1384 -206243.4887 17625.4304 0.0000 0.0000 34143.8744 -149588.0542 298.1869 -183731.9286 -149497.9454 298.4802 -34.0692 -1.9651 557103.7144 12.3161 12.3361 PRESSURE: 1842800 338.023 -133.122 117.847 -133.123 -294.187 4.32108 117.847 4.31916 -45.8931 GPRESSURE: 1842800 372.673 -165.749 103.339 -34.3262 -254.133 -29.8084 69.1294 26.5248 -26.5657 PRESSAVG: 1842800 79.0048 26.8722 22.6529 26.8721 -53.6587 42.7684 22.6529 42.7684 -24.1989 GPRESSAVG: 1842800 79.2768 27.9647 21.4077 24.2255 -53.8952 43.4614 24.4703 42.8357 -23.9016 TIMING: 1842800 CPU: 5342.84, 0.00290016/step Wall: 5342.84, 0.00290016/step, 2.54344 hours remaining, 208.179688 MB of memory in use. ENERGY: 1842800 732.2296 2022.8395 1971.2095 124.3396 -206262.1349 17811.4620 0.0000 0.0000 33922.9190 -149677.1358 296.2573 -183600.0548 -149578.6688 297.5997 -0.6859 30.6582 557198.1775 0.3824 0.4933 PRESSURE: 1843000 287.752 66.5624 89.5117 66.5634 24.3876 135.46 89.5121 135.46 -65.2246 GPRESSURE: 1843000 280.81 120.842 84.4809 116.625 91.8401 179.695 84.5395 158.617 -18.1161 PRESSAVG: 1843000 29.4911 -5.86013 8.56069 -5.86004 34.9367 41.4065 8.56058 41.4066 -53.8529 GPRESSAVG: 1843000 28.8284 -4.96501 7.47788 -7.29764 35.7662 40.1493 8.37705 43.0758 -54.1833 TIMING: 1843000 CPU: 5343.42, 0.00290539/step Wall: 5343.42, 0.00290539/step, 2.54786 hours remaining, 208.234375 MB of memory in use. ENERGY: 1843000 760.3527 2035.2363 1962.2458 102.0016 -206696.3121 18271.0052 0.0000 0.0000 33891.3045 -149674.1660 295.9812 -183565.4705 -149588.6800 297.7393 82.3048 118.1778 558163.9270 3.5250 3.4704 PRESSURE: 1843200 59.2103 -66.7423 -296.006 -66.7417 -50.5865 10.8756 -296.007 10.8734 43.1612 GPRESSURE: 1843200 86.7774 -27.7675 -344.581 -75.0166 -30.737 -0.280146 -400.388 69.6333 90.8623 PRESSAVG: 1843200 -4.9201 -21.8197 -22.2088 -21.8197 -1.48092 28.2792 -22.2086 28.2791 -7.26371 GPRESSAVG: 1843200 -4.89585 -21.5741 -21.045 -20.4125 -1.89029 29.3264 -22.9826 26.6101 -6.98702 TIMING: 1843200 CPU: 5344.01, 0.00290975/step Wall: 5344.01, 0.00290975/step, 2.55153 hours remaining, 208.234375 MB of memory in use. ENERGY: 1843200 758.1978 2062.0329 1960.5025 115.8559 -206423.5964 17961.4189 0.0000 0.0000 34056.1481 -149509.4405 297.4208 -183565.5885 -149418.5543 298.2483 17.2617 48.9676 557263.3780 -4.5549 -4.5911 PRESSURE: 1843400 182.377 124.563 -125.384 124.563 127.535 34.3683 -125.383 34.3686 -253.351 GPRESSURE: 1843400 194.904 167.132 -180.917 93.5585 132.344 60.952 -79.6545 86.6562 -168.161 PRESSAVG: 1843400 35.1593 -29.3753 -3.41139 -29.3753 3.49467 -0.288408 -3.41142 -0.288394 18.1752 GPRESSAVG: 1843400 34.3993 -31.1758 -2.95275 -28.326 3.75554 -1.0588 -3.64785 0.400222 18.2995 TIMING: 1843400 CPU: 5344.58, 0.00287614/step Wall: 5344.58, 0.00287614/step, 2.5219 hours remaining, 208.234375 MB of memory in use. ENERGY: 1843400 711.2449 2049.4665 1937.2309 118.1578 -206481.8169 17974.4844 0.0000 0.0000 34203.3574 -149487.8750 298.7064 -183691.2324 -149387.9252 298.8046 18.8536 53.0290 558651.7301 18.9431 18.8181 PRESSURE: 1843600 -65.9312 209.052 118.863 209.052 95.2132 65.4303 118.863 65.4306 -105.814 GPRESSURE: 1843600 21.7714 186.435 58.5056 151.64 101.071 137.855 118.518 102.171 -101.068 PRESSAVG: 1843600 23.4933 37.2244 -6.41605 37.2244 -41.1237 43.5493 -6.41613 43.5495 42.9463 GPRESSAVG: 1843600 24.453 35.8775 -7.39884 37.2573 -41.8943 44.0653 -5.57929 42.169 42.9651 TIMING: 1843600 CPU: 5345.16, 0.00290605/step Wall: 5345.16, 0.00290605/step, 2.54796 hours remaining, 208.234375 MB of memory in use. ENERGY: 1843600 760.4215 2105.6011 1984.7473 109.5703 -206518.9364 17866.0762 0.0000 0.0000 34260.8843 -149431.6356 299.2088 -183692.5199 -149339.8388 298.7636 -25.5107 7.2580 557733.6408 8.4386 8.5079 PRESSURE: 1843800 91.5353 -50.3319 54.1763 -50.333 -49.3301 120.213 54.1753 120.212 25.391 GPRESSURE: 1843800 101.616 -76.6736 20.3521 22.4876 47.9265 77.5039 -25.1311 117.61 12.047 PRESSAVG: 1843800 35.516 38.9906 15.4057 38.9907 -45.9503 -63.2373 15.4058 -63.2373 17.511 GPRESSAVG: 1843800 34.7758 39.4769 16.7178 40.0664 -43.7256 -62.7615 15.6619 -63.0272 15.9377 TIMING: 1843800 CPU: 5345.74, 0.0029085/step Wall: 5345.74, 0.0029085/step, 2.54995 hours remaining, 208.234375 MB of memory in use. ENERGY: 1843800 753.6640 2067.2813 1956.3444 119.1931 -206621.3331 17990.3448 0.0000 0.0000 34187.7313 -149546.7741 298.5700 -183734.5054 -149451.0676 298.6983 22.5321 53.8632 556078.2560 2.3589 2.3293 PRESSURE: 1844000 -14.4583 35.0913 -57.2276 35.0921 -61.5265 -108.925 -57.2283 -108.926 -213.972 GPRESSURE: 1844000 8.07537 -47.9433 -70.3439 4.15846 -8.0523 6.75324 -58.2282 -91.3925 -181.549 PRESSAVG: 1844000 34.3626 36.0266 -63.5183 36.0266 26.8953 31.6657 -63.5184 31.6656 -87.8326 GPRESSAVG: 1844000 34.4985 36.2192 -64.6224 35.0173 26.7256 31.6133 -64.4907 30.7129 -87.4601 TIMING: 1844000 CPU: 5346.33, 0.00291775/step Wall: 5346.33, 0.00291775/step, 2.55789 hours remaining, 208.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1844000 737.4177 2087.4725 1940.5947 105.3103 -206320.0693 17691.5060 0.0000 0.0000 34165.1306 -149592.6375 298.3726 -183757.7681 -149498.7366 298.0895 -96.6522 -60.5085 556668.9270 -8.8582 -8.7453 PRESSURE: 1844200 -378.658 85.8363 22.839 85.836 -255.352 -12.5528 22.8397 -12.552 81.0518 GPRESSURE: 1844200 -353.917 72.8395 -19.8677 81.3107 -213.057 -1.67792 24.3155 46.3264 115.637 PRESSAVG: 1844200 14.9168 30.1033 36.4346 30.1033 -13.5355 -31.3053 36.4347 -31.3052 25.828 GPRESSAVG: 1844200 14.7059 31.5458 39.105 30.9767 -15.1852 -32.7602 34.4499 -28.8603 27.4621 TIMING: 1844200 CPU: 5346.91, 0.00291594/step Wall: 5346.91, 0.00291594/step, 2.55614 hours remaining, 208.234375 MB of memory in use. ENERGY: 1844200 757.7355 2060.8266 1966.2868 116.8881 -206096.3033 17329.3864 0.0000 0.0000 34325.4772 -149539.7028 299.7729 -183865.1800 -149447.2260 298.3735 -184.3194 -150.4456 556707.2896 9.0698 8.9943 LDB: ============= START OF LOAD BALANCING ============== 5350.3 LDB: ============== END OF LOAD BALANCING =============== 5350.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5350.3 LDB: ============= START OF LOAD BALANCING ============== 5350.59 LDB: Largest compute 4820 load 0.023709 is 20.1% of average load 0.118049 LDB: Average compute 0.001728 is 1.5% of average load 0.118049 LDB: TIME 5350.6 LOAD: AVG 0.118049 MAX 0.180442 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.031 MB LDB: TIME 5350.6 LOAD: AVG 0.118049 MAX 0.180442 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: TIME 5350.6 LOAD: AVG 0.118049 MAX 0.180442 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: ============== END OF LOAD BALANCING =============== 5350.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5350.6 PRESSURE: 1844400 205.91 -4.27125 -149.815 -4.27228 -153.572 266.346 -149.817 266.347 14.9643 GPRESSURE: 1844400 253.833 37.2695 -180.286 38.7348 -97.2042 204.756 -116.498 230.691 -6.16974 PRESSAVG: 1844400 -6.06842 -29.7858 4.84581 -29.7856 28.543 34.4793 4.84571 34.4794 5.85722 GPRESSAVG: 1844400 -6.18762 -29.9451 4.42207 -31.2182 30.3101 37.4697 6.57666 33.4039 3.79437 TIMING: 1844400 CPU: 5347.51, 0.00297709/step Wall: 5347.51, 0.00297709/step, 2.60958 hours remaining, 208.289062 MB of memory in use. ENERGY: 1844400 769.6904 2100.6632 1985.5248 114.3245 -206535.0603 17986.7412 0.0000 0.0000 34085.5326 -149492.5836 297.6774 -183578.1162 -149400.7197 298.4798 22.4340 50.1530 558023.7464 9.4439 9.3056 PRESSURE: 1844600 -144.274 -8.70799 -111.919 -8.70963 240.636 -12.4376 -111.921 -12.4375 89.4252 GPRESSURE: 1844600 -85.4976 -49.4945 -179.525 5.95565 247.208 -24.3536 -66.4319 3.66844 119.591 PRESSAVG: 1844600 34.8044 -2.38292 -53.1666 -2.38296 -2.2865 -14.4177 -53.1667 -14.4177 -14.8359 GPRESSAVG: 1844600 35.4424 -3.11204 -53.4641 -1.44562 -3.96373 -15.2608 -54.8608 -15.8794 -14.1912 TIMING: 1844600 CPU: 5348.09, 0.00292858/step Wall: 5348.09, 0.00292858/step, 2.5669 hours remaining, 208.488281 MB of memory in use. ENERGY: 1844600 733.0828 2059.8240 1953.1802 119.4184 -206348.5158 17834.8612 0.0000 0.0000 34255.3756 -149392.7735 299.1607 -183648.1491 -149302.0834 298.6126 61.9292 93.7672 556639.1672 5.8940 5.7625 PRESSURE: 1844800 91.3689 34.9441 123.73 34.9443 -8.70737 45.6043 123.731 45.6052 -256.951 GPRESSURE: 1844800 90.3799 -74.6664 95.5418 156.38 72.6385 89.5635 117.663 21.6526 -222.065 PRESSAVG: 1844800 30.0397 46.2176 53.4476 46.2175 37.2741 -46.2972 53.4477 -46.2972 -70.6008 GPRESSAVG: 1844800 29.8086 46.9342 50.9142 44.7011 37.2083 -47.7727 56.2982 -44.1154 -70.1633 TIMING: 1844800 CPU: 5348.67, 0.00289575/step Wall: 5348.67, 0.00289575/step, 2.53796 hours remaining, 208.488281 MB of memory in use. ENERGY: 1844800 761.8717 2071.7815 1940.5586 117.1748 -206256.4383 17790.4410 0.0000 0.0000 34224.0378 -149350.5729 298.8870 -183574.6107 -149261.2316 299.2161 -58.0963 -19.6821 557366.4165 -1.0957 -1.0488 PRESSURE: 1845000 -196.303 229.782 -43.9387 229.781 -99.2641 113.069 -43.9393 113.069 -148.73 GPRESSURE: 1845000 -158.673 180.394 7.30553 267.337 -0.0867232 203.895 -105.634 -32.1539 -180.492 PRESSAVG: 1845000 39.6563 48.9416 45.2549 48.9416 13.9211 2.9726 45.2548 2.97262 -34.539 GPRESSAVG: 1845000 40.5093 48.0351 45.8532 48.9422 15.3814 3.54359 43.433 2.19888 -36.2655 TIMING: 1845000 CPU: 5349.25, 0.00290345/step Wall: 5349.25, 0.00290345/step, 2.54455 hours remaining, 208.488281 MB of memory in use. ENERGY: 1845000 737.1638 2079.2412 1972.6050 101.6372 -206268.3175 17800.1714 0.0000 0.0000 34160.1242 -149417.3748 298.3289 -183577.4990 -149326.0078 298.8712 -148.0990 -113.0841 558690.0590 6.3461 6.5417 PRESSURE: 1845200 119.035 36.6903 -52.3474 36.6904 -136.567 24.2169 -52.3489 24.218 51.877 GPRESSURE: 1845200 125.994 77.0474 -57.4532 -23.0996 -83.732 25.8753 -9.39769 32.945 84.8727 PRESSAVG: 1845200 19.9477 16.5254 -5.59259 16.5254 -19.5839 -2.81002 -5.59246 -2.81008 -6.10085 GPRESSAVG: 1845200 20.1392 15.1462 -5.32348 18.1212 -20.9366 -2.42707 -4.10356 -2.7367 -4.66565 TIMING: 1845200 CPU: 5349.83, 0.00290895/step Wall: 5349.83, 0.00290895/step, 2.54921 hours remaining, 208.488281 MB of memory in use. ENERGY: 1845200 732.9749 2068.8965 1974.2151 123.5005 -206280.4369 17834.3713 0.0000 0.0000 34180.5395 -149365.9392 298.5072 -183546.4787 -149270.0521 298.8097 11.4486 42.3783 558663.9544 -1.9123 -1.8210 PRESSURE: 1845400 -101.203 -48.3002 -141.593 -48.2998 -141.023 -33.3033 -141.593 -33.3043 -253.642 GPRESSURE: 1845400 -149.546 -42.9458 -121.942 -85.901 -63.9703 -102.927 -134.301 77.8962 -178.561 PRESSAVG: 1845400 26.6863 -11.4546 -26.5254 -11.4548 2.12612 -24.8068 -26.5255 -24.8068 -20.8649 GPRESSAVG: 1845400 26.2894 -8.27012 -26.0487 -12.5862 3.63778 -25.267 -26.8673 -22.822 -22.3576 TIMING: 1845400 CPU: 5350.42, 0.00291733/step Wall: 5350.42, 0.00291733/step, 2.55639 hours remaining, 208.488281 MB of memory in use. ENERGY: 1845400 752.0062 2060.2404 1947.5564 107.8077 -205829.3709 17483.4707 0.0000 0.0000 34052.9643 -149425.3252 297.3930 -183478.2895 -149333.0343 298.2245 -165.2893 -130.6923 559018.5369 2.6492 2.5232 PRESSURE: 1845600 -180.227 -179.238 -41.3329 -179.238 -222.556 -167.358 -41.3328 -167.359 -150.233 GPRESSURE: 1845600 -133.148 -170.784 -121.464 -168.129 -232.165 -95.8 -64.7864 -215.635 -86.0455 PRESSAVG: 1845600 22.6942 48.0347 -69.2195 48.0346 4.33197 -0.270351 -69.2195 -0.27032 -48.9057 GPRESSAVG: 1845600 23.4323 46.6115 -68.2955 46.7402 2.44628 1.20687 -69.8527 -2.80957 -47.4223 TIMING: 1845600 CPU: 5351, 0.00289982/step Wall: 5351, 0.00289982/step, 2.54088 hours remaining, 208.488281 MB of memory in use. ENERGY: 1845600 778.5841 2022.9921 1963.5517 118.5227 -206279.8325 17807.1005 0.0000 0.0000 34157.2629 -149431.8185 298.3039 -183589.0814 -149338.9927 297.7956 -184.3384 -150.4529 559560.5424 -7.2932 -7.1812 PRESSURE: 1845800 -46.2613 51.3376 95.7929 51.3373 115.374 -17.665 95.7927 -17.6667 109.114 GPRESSURE: 1845800 34.6266 98.2354 44.4903 58.8239 137.709 -8.00203 72.8607 -36.5953 106.554 PRESSAVG: 1845800 -23.9047 47.1779 -32.3042 47.178 63.2362 -53.5326 -32.3042 -53.5327 -37.9764 GPRESSAVG: 1845800 -25.6654 46.843 -33.0489 49.6344 64.8848 -56.5075 -31.5523 -51.7472 -38.3465 TIMING: 1845800 CPU: 5351.58, 0.00291554/step Wall: 5351.58, 0.00291554/step, 2.5545 hours remaining, 208.488281 MB of memory in use. ENERGY: 1845800 727.0874 1986.3891 1962.0396 106.0872 -206396.2156 17893.5541 0.0000 0.0000 34352.0746 -149368.9836 300.0052 -183721.0582 -149275.6794 299.2023 59.4088 92.9632 557032.0385 0.4517 0.2910 PRESSURE: 1846000 -161.025 44.8186 -118.972 44.8186 88.4895 7.44112 -118.972 7.4411 21.0108 GPRESSURE: 1846000 -145.471 45.2735 -71.9027 55.1493 123.508 -43.6453 -154.672 94.0815 72.0017 PRESSAVG: 1846000 -64.5765 -29.0591 14.0374 -29.0592 44.0797 -51.5304 14.0374 -51.5305 44.242 GPRESSAVG: 1846000 -64.5169 -28.1327 13.4896 -30.7943 43.2542 -49.3163 14.7147 -51.7855 45.3453 TIMING: 1846000 CPU: 5352.16, 0.00287927/step Wall: 5352.16, 0.00287927/step, 2.52256 hours remaining, 208.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1846000 732.3661 2075.1572 1974.4638 118.0369 -206391.1910 17957.1375 0.0000 0.0000 34190.0494 -149343.9800 298.5902 -183534.0295 -149249.9540 298.8934 -17.1750 16.6796 557141.0555 7.9151 8.0276 PRESSURE: 1846200 45.7303 -149.065 -132.531 -149.064 -76.4193 26.0711 -132.531 26.0706 117.006 GPRESSURE: 1846200 56.0136 -137.258 -143.489 -219.063 -53.8325 136.846 -185.231 -53.9178 174.607 PRESSAVG: 1846200 -85.3149 -43.4237 -21.0859 -43.4237 30.7281 31.8604 -21.0858 31.8604 74.2142 GPRESSAVG: 1846200 -84.6812 -44.0186 -20.9143 -42.677 30.9934 30.3877 -21.8675 30.0186 73.4187 TIMING: 1846200 CPU: 5352.74, 0.00290774/step Wall: 5352.74, 0.00290774/step, 2.54734 hours remaining, 208.488281 MB of memory in use. ENERGY: 1846200 749.9811 2079.9606 1977.3217 112.4889 -206162.0593 17841.9443 0.0000 0.0000 34153.8936 -149246.4691 298.2744 -183400.3628 -149162.5276 298.5436 28.7723 58.9294 558033.1585 6.5425 6.5769 PRESSURE: 1846400 107.769 20.4546 24.994 20.4553 136.348 -288.387 24.9946 -288.387 288.639 GPRESSURE: 1846400 167.676 -18.6251 105.456 -32.2398 143.258 -293.858 48.9715 -227.823 319.277 PRESSAVG: 1846400 -30.5001 9.64634 -37.7295 9.64632 -11.4234 -24.2667 -37.7295 -24.2668 54.2985 GPRESSAVG: 1846400 -31.2149 11.6763 -36.2962 7.51958 -11.7568 -24.123 -37.9849 -22.7171 54.4181 TIMING: 1846400 CPU: 5353.32, 0.00291268/step Wall: 5353.32, 0.00291268/step, 2.55151 hours remaining, 208.488281 MB of memory in use. ENERGY: 1846400 727.7427 2065.2643 1949.0331 118.5370 -206386.4756 17997.3607 0.0000 0.0000 34095.8279 -149432.7099 297.7673 -183528.5377 -149341.0389 298.4232 177.5852 210.0704 556728.8124 4.1250 3.8155 PRESSURE: 1846600 122.363 -34.4149 181.757 -34.4142 -164.545 -57.3385 181.755 -57.3403 189.38 GPRESSURE: 1846600 127.114 -42.9573 76.9629 -15.0952 -143.839 -44.1072 204.07 -91.8302 267.212 PRESSAVG: 1846600 4.34467 3.86516 -3.28884 3.86516 -40.7445 -52.083 -3.2888 -52.0829 17.5256 GPRESSAVG: 1846600 4.27268 2.75399 -2.68996 4.78923 -39.6909 -51.7574 -4.58408 -52.4735 16.8238 TIMING: 1846600 CPU: 5353.9, 0.00291213/step Wall: 5353.9, 0.00291213/step, 2.55086 hours remaining, 208.488281 MB of memory in use. ENERGY: 1846600 719.3735 2024.3349 1976.4726 110.5361 -206503.8074 17880.6000 0.0000 0.0000 34526.5370 -149265.9534 301.5288 -183792.4904 -149165.1650 299.6020 49.0660 83.4955 558601.7689 -6.2914 -6.1981 PRESSURE: 1846800 -52.7576 -251.655 118.928 -251.655 84.9605 68.2797 118.926 68.2796 268.095 GPRESSURE: 1846800 -1.60608 -258.053 186.045 -204.052 81.2379 37.2199 111.703 79.9945 329.076 PRESSAVG: 1846800 42.193 -24.2519 16.5719 -24.2519 -28.2636 -26.8118 16.5718 -26.8118 -37.0172 GPRESSAVG: 1846800 43.0147 -23.9543 14.4228 -23.682 -28.8859 -27.0078 18.3162 -28.0334 -36.8373 TIMING: 1846800 CPU: 5354.49, 0.00291535/step Wall: 5354.49, 0.00291535/step, 2.55352 hours remaining, 208.488281 MB of memory in use. ENERGY: 1846800 746.3126 2144.0052 1975.2378 109.8424 -206682.9774 18126.9532 0.0000 0.0000 34187.8571 -149392.7691 298.5711 -183580.6262 -149301.6337 298.3419 100.0995 136.2361 556701.7060 -7.6959 -7.5695 PRESSURE: 1847000 12.2364 45.3002 103.679 45.3002 124.557 83.1913 103.679 83.1897 85.064 GPRESSURE: 1847000 81.5387 -38.1418 81.038 75.9601 177.316 37.0893 145.616 51.6114 74.6504 PRESSAVG: 1847000 -36.1684 26.4779 -3.51173 26.4779 52.7863 22.8407 -3.5118 22.8407 9.50261 GPRESSAVG: 1847000 -35.3581 27.8161 -2.44983 27.6482 53.0333 24.0644 -6.03647 22.5428 8.33481 TIMING: 1847000 CPU: 5355.07, 0.00291203/step Wall: 5355.07, 0.00291203/step, 2.55046 hours remaining, 208.488281 MB of memory in use. ENERGY: 1847000 757.5508 2079.2907 1962.2502 121.2483 -206206.9831 17849.1715 0.0000 0.0000 34234.5125 -149202.9591 298.9785 -183437.4716 -149109.1206 298.7669 73.9524 111.1682 557019.7349 8.7068 8.6700 PRESSURE: 1847200 22.4727 54.0665 81.3574 54.0662 28.9132 76.1722 81.3565 76.1723 29.2105 GPRESSURE: 1847200 84.9529 29.9315 106.143 42.2388 53.3137 29.1752 63.8225 28.0052 43.432 PRESSAVG: 1847200 24.3568 -12.1355 2.57811 -12.1355 -52.8288 48.3766 2.57814 48.3768 -21.1209 GPRESSAVG: 1847200 22.8123 -14.5453 2.39722 -12.5327 -52.4441 45.5744 1.53447 50.8549 -19.4399 TIMING: 1847200 CPU: 5355.65, 0.00292277/step Wall: 5355.65, 0.00292277/step, 2.5597 hours remaining, 208.488281 MB of memory in use. ENERGY: 1847200 745.1596 2179.0912 1935.1653 108.5016 -206419.6949 17929.5025 0.0000 0.0000 34322.1839 -149200.0908 299.7442 -183522.2747 -149105.4579 299.5928 26.8655 60.5662 556857.3719 -16.5310 -16.3572 PRESSURE: 1847400 -456.114 -44.0811 -93.852 -44.0793 -21.9912 12.2868 -93.8524 12.2871 -382.507 GPRESSURE: 1847400 -452.766 -93.6359 -32.1349 11.0714 -3.39348 -69.3022 -74.1114 69.5611 -311.749 PRESSAVG: 1847400 -2.29367 5.13813 18.3421 5.13815 8.35359 -18.0087 18.3421 -18.0087 -16.6266 GPRESSAVG: 1847400 -3.21373 6.2775 16.7324 5.64656 8.16796 -18.9537 20.7832 -18.3432 -15.647 TIMING: 1847400 CPU: 5356.23, 0.00290682/step Wall: 5356.23, 0.00290682/step, 2.54556 hours remaining, 208.488281 MB of memory in use. ENERGY: 1847400 735.2962 2129.8428 1988.1978 116.5762 -205663.7660 17264.5530 0.0000 0.0000 34207.1297 -149222.1702 298.7394 -183429.2999 -149129.3279 299.5829 -286.8708 -255.9696 556519.8596 -3.5222 -3.5643 PRESSURE: 1847600 70.6142 89.5462 91.676 89.5454 97.341 -27.9188 91.6756 -27.921 137.201 GPRESSURE: 1847600 111.296 51.9043 79.7304 87.1871 150.882 -56.3541 90.125 83.5658 144.267 PRESSAVG: 1847600 24.0035 -2.07465 -18.3833 -2.07475 -11.8244 25.6593 -18.3833 25.6593 -4.99331 GPRESSAVG: 1847600 25.1671 -2.92926 -17.4 -1.71616 -12.6267 28.5478 -18.3143 24.1726 -6.04135 TIMING: 1847600 CPU: 5356.82, 0.00293047/step Wall: 5356.82, 0.00293047/step, 2.56612 hours remaining, 208.488281 MB of memory in use. ENERGY: 1847600 754.8528 2065.1265 1964.1445 116.7391 -206343.3049 17981.8665 0.0000 0.0000 34316.4851 -149144.0903 299.6944 -183460.5755 -149041.8315 299.7693 101.7188 135.4816 555386.7491 2.3953 2.1664 PRESSURE: 1847800 -210.711 -105.815 58.9072 -105.816 -41.6714 -70.5678 58.9059 -70.5667 -16.6837 GPRESSURE: 1847800 -129.652 -96.8278 123.306 -32.8949 -11.6694 -138.733 -30.4529 -25.5602 -18.0766 PRESSAVG: 1847800 -41.5837 -10.6307 -36.6468 -10.6308 7.34368 24.2651 -36.6467 24.2653 21.0131 GPRESSAVG: 1847800 -41.551 -8.86612 -37.1856 -12.4828 6.52122 22.8537 -36.3141 25.2008 21.3792 TIMING: 1847800 CPU: 5357.4, 0.00292484/step Wall: 5357.4, 0.00292484/step, 2.56102 hours remaining, 208.488281 MB of memory in use. ENERGY: 1847800 748.6092 2140.4012 1964.0443 110.8228 -205976.0683 17774.7167 0.0000 0.0000 34188.4366 -149049.0376 298.5761 -183237.4742 -148955.2633 299.4846 -89.6887 -53.1326 556590.7947 -4.4090 -4.5502 PRESSURE: 1848000 36.4897 -130.845 -125.168 -130.844 191.806 184.778 -125.167 184.778 139.338 GPRESSURE: 1848000 65.9444 -183.837 -201.723 -64.7549 231.603 254.805 -119.958 180.729 180.911 PRESSAVG: 1848000 6.50424 -15.3424 13.0524 -15.3425 -22.6279 73.8475 13.0525 73.8476 16.7767 GPRESSAVG: 1848000 7.77917 -16.829 13.4867 -14.2471 -21.9426 74.8959 13.6737 74.5785 15.0948 TIMING: 1848000 CPU: 5357.99, 0.0029199/step Wall: 5357.99, 0.0029199/step, 2.55654 hours remaining, 208.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1848000 796.0622 2081.0684 1957.0794 111.3444 -206150.7592 18053.1278 0.0000 0.0000 34015.0775 -149136.9995 297.0621 -183152.0769 -149042.1391 299.6526 122.5444 159.4864 556794.0977 0.2177 0.3105 PRESSURE: 1848200 -109.06 -16.2099 -246.806 -16.2105 -283.817 121.336 -246.805 121.337 -117.596 GPRESSURE: 1848200 -130.963 -60.0307 -241.332 -33.6638 -240.021 75.3693 -178.6 141.653 -41.0992 PRESSAVG: 1848200 5.28813 -29.3263 -21.5029 -29.3263 -37.8495 53.8973 -21.5029 53.8975 65.7945 GPRESSAVG: 1848200 3.89226 -30.3181 -21.4666 -27.9864 -36.9489 52.4651 -22.5438 52.5412 66.3239 TIMING: 1848200 CPU: 5358.57, 0.00292221/step Wall: 5358.57, 0.00292221/step, 2.5584 hours remaining, 208.488281 MB of memory in use. ENERGY: 1848200 766.0076 2114.4329 1933.3766 111.6318 -206053.3821 17784.8084 0.0000 0.0000 34336.7278 -149006.3969 299.8712 -183343.1247 -148907.8444 299.8443 -170.1578 -137.3612 558225.7827 11.0777 11.0891 LDB: ============= START OF LOAD BALANCING ============== 5361.96 LDB: ============== END OF LOAD BALANCING =============== 5361.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5361.96 LDB: ============= START OF LOAD BALANCING ============== 5362.25 LDB: Largest compute 4820 load 0.023598 is 20.0% of average load 0.117954 LDB: Average compute 0.001717 is 1.5% of average load 0.117954 LDB: TIME 5362.25 LOAD: AVG 0.117954 MAX 0.180468 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.801 MB LDB: TIME 5362.25 LOAD: AVG 0.117954 MAX 0.180468 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: TIME 5362.25 LOAD: AVG 0.117954 MAX 0.180468 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: ============== END OF LOAD BALANCING =============== 5362.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5362.26 PRESSURE: 1848400 -64.7337 38.2352 -10.8848 38.2354 75.4514 55.1538 -10.8841 55.1538 71.0844 GPRESSURE: 1848400 0.223731 3.60617 -50.8216 -9.13983 92.0168 -19.7114 59.2057 131.315 81.4289 PRESSAVG: 1848400 -8.28935 -22.241 -20.5128 -22.2411 9.21731 25.7608 -20.5129 25.7608 -2.72295 GPRESSAVG: 1848400 -7.39596 -21.7038 -19.7986 -22.3498 8.36894 27.8682 -20.3197 25.6652 -2.56934 TIMING: 1848400 CPU: 5359.16, 0.00295377/step Wall: 5359.16, 0.00295377/step, 2.58586 hours remaining, 208.070312 MB of memory in use. ENERGY: 1848400 756.1782 2089.2896 1958.3829 124.1674 -206339.6847 17934.2937 0.0000 0.0000 34398.6045 -149078.7683 300.4116 -183477.3728 -148989.1311 299.8461 27.2674 57.8898 557756.9085 -0.5983 -0.5321 PRESSURE: 1848600 -39.1643 86.4067 -44.0688 86.4074 -57.84 106.709 -44.0692 106.711 179.069 GPRESSURE: 1848600 -30.2978 129.11 -68.3751 68.0402 -17.936 105.159 7.06451 187.433 235.228 PRESSAVG: 1848600 8.67183 -11.8663 -93.7552 -11.8663 13.783 14.0673 -93.7552 14.0672 15.5235 GPRESSAVG: 1848600 7.38295 -10.7445 -94.3768 -14.2608 15.3559 13.2156 -93.8325 14.4566 14.9867 TIMING: 1848600 CPU: 5359.74, 0.00286951/step Wall: 5359.74, 0.00286951/step, 2.51193 hours remaining, 208.304688 MB of memory in use. ENERGY: 1848600 774.6800 2053.0925 1935.6599 104.1771 -206260.2937 17938.6709 0.0000 0.0000 34290.3857 -149163.6276 299.4665 -183454.0133 -149069.9803 299.4145 27.3548 62.3313 557099.7897 12.6595 12.5752 PRESSURE: 1848800 41.7446 -105.861 20.5728 -105.862 93.3329 63.8512 20.5737 63.8501 -111.582 GPRESSURE: 1848800 64.0896 -152.217 45.5264 -54.3369 130.987 16.4497 37.869 107.951 -79.0797 PRESSAVG: 1848800 -24.4024 26.3289 15.1608 26.3288 6.28379 -17.9983 15.1608 -17.9983 39.1947 GPRESSAVG: 1848800 -23.8667 25.0166 16.105 27.959 4.6695 -17.0294 13.2935 -19.2979 39.6074 TIMING: 1848800 CPU: 5360.32, 0.0028912/step Wall: 5360.32, 0.0028912/step, 2.53076 hours remaining, 208.304688 MB of memory in use. ENERGY: 1848800 745.1696 2127.4469 1955.6538 107.0328 -206540.7638 17944.0445 0.0000 0.0000 34541.7011 -149119.7152 301.6613 -183661.4163 -149022.0572 300.4452 7.8318 38.6655 556901.6504 7.0254 6.8034 PRESSURE: 1849000 261.252 -23.2873 50.3284 -23.2881 114.777 -45.2343 50.3277 -45.2348 -11.5959 GPRESSURE: 1849000 335.3 -67.3288 -20.1835 -126.802 142.478 -103.591 35.3276 -37.7263 -13.9015 PRESSAVG: 1849000 8.57633 -0.515499 -1.63792 -0.515541 4.13941 -20.0692 -1.63796 -20.0693 0.407419 GPRESSAVG: 1849000 8.23167 1.13801 0.430073 -1.8046 4.8367 -18.4531 -0.523897 -19.473 -0.22648 TIMING: 1849000 CPU: 5360.89, 0.00287675/step Wall: 5360.89, 0.00287675/step, 2.51796 hours remaining, 208.304688 MB of memory in use. ENERGY: 1849000 733.5760 2056.5398 1958.1362 118.5548 -206565.9146 17905.4197 0.0000 0.0000 34625.9737 -149167.7144 302.3972 -183793.6881 -149072.4193 299.8136 121.4777 154.6255 555534.6168 4.3744 4.2806 PRESSURE: 1849200 -177.447 -16.2129 239.853 -16.2129 7.47181 -167.741 239.852 -167.739 -163.585 GPRESSURE: 1849200 -143.758 -43.3283 186.312 -101.201 27.3275 -39.3919 165.844 -286.145 -130.515 PRESSAVG: 1849200 -27.7762 -33.3281 9.77092 -33.328 56.3475 -30.8018 9.77102 -30.8019 -44.6694 GPRESSAVG: 1849200 -28.0875 -34.1343 6.92884 -32.5607 55.1695 -32.5582 11.271 -30.4231 -43.6906 TIMING: 1849200 CPU: 5361.47, 0.00287972/step Wall: 5361.47, 0.00287972/step, 2.52039 hours remaining, 208.304688 MB of memory in use. ENERGY: 1849200 777.1522 2042.4146 1953.8461 118.4774 -205932.9945 17637.8679 0.0000 0.0000 34147.6571 -149255.5793 298.2200 -183403.2364 -149156.7014 299.0415 -111.1868 -82.3150 557396.8814 -5.3660 -5.5362 PRESSURE: 1849400 -98.2055 -49.1738 143.312 -49.1741 98.7716 -3.664 143.312 -3.66575 92.6724 GPRESSURE: 1849400 -87.0647 28.6007 114.655 -27.7517 127.918 -12.5617 177.681 -14.0367 159.056 PRESSAVG: 1849400 -38.3494 11.151 34.9489 11.151 62.7477 3.55483 34.9488 3.55481 2.39921 GPRESSAVG: 1849400 -38.8944 10.2695 34.6095 11.983 63.6478 1.64118 34.7678 6.11196 1.94524 TIMING: 1849400 CPU: 5362.04, 0.00288093/step Wall: 5362.04, 0.00288093/step, 2.52129 hours remaining, 208.304688 MB of memory in use. ENERGY: 1849400 760.2136 2111.1958 1968.8224 100.9814 -206593.1297 17891.6916 0.0000 0.0000 34478.8402 -149281.3847 301.1123 -183760.2250 -149192.5752 299.1296 31.0795 66.6365 557292.7666 8.9325 8.8996 PRESSURE: 1849600 131.22 -16.7762 187.573 -16.7771 139.567 16.1972 187.572 16.1955 287.743 GPRESSURE: 1849600 207.466 -28.0464 205.276 17.1289 110.454 62.1246 176.365 -19.8541 338.945 PRESSAVG: 1849600 0.794746 35.8455 8.89734 35.8453 -19.9665 -13.5913 8.8972 -13.5914 15.9484 GPRESSAVG: 1849600 1.58252 36.3974 11.2557 34.7682 -20.1264 -11.079 7.82207 -16.9089 15.9573 TIMING: 1849600 CPU: 5362.62, 0.00288704/step Wall: 5362.62, 0.00288704/step, 2.52648 hours remaining, 208.304688 MB of memory in use. ENERGY: 1849600 735.9307 2038.6026 1940.9563 114.4883 -206501.3693 18136.1390 0.0000 0.0000 34174.1929 -149361.0596 298.4517 -183535.2525 -149260.7578 298.5345 186.1767 218.9550 556903.4417 -1.0744 -0.8622 PRESSURE: 1849800 195.841 23.1453 23.917 23.1462 3.53636 -94.5028 23.9179 -94.5033 -169.581 GPRESSURE: 1849800 190.779 14.0877 100.261 12.3977 64.2362 -84.5122 3.3466 -105.825 -134.591 PRESSAVG: 1849800 17.2913 44.712 43.5825 44.7121 37.9414 3.30099 43.5825 3.30085 -20.23 GPRESSAVG: 1849800 16.7676 45.3664 41.4715 44.9015 39.2615 1.80576 44.9791 5.37648 -21.0839 TIMING: 1849800 CPU: 5363.2, 0.00288302/step Wall: 5363.2, 0.00288302/step, 2.5228 hours remaining, 208.304688 MB of memory in use. ENERGY: 1849800 748.7754 2069.8501 1967.4132 121.6278 -206327.6281 17781.5642 0.0000 0.0000 34155.9389 -149482.4586 298.2923 -183638.3974 -149394.1935 298.2955 9.9322 40.1415 555081.5249 11.6675 11.6484 PRESSURE: 1850000 -102.596 210.965 106.949 210.966 152.116 65.719 106.95 65.7179 55.9309 GPRESSURE: 1850000 -64.3332 167.723 147.179 215.56 156.816 157.028 85.7385 72.3449 107.437 PRESSAVG: 1850000 18.2117 24.1749 -4.71969 24.1748 26.8579 12.9836 -4.71967 12.9836 -34.3963 GPRESSAVG: 1850000 17.4629 24.0464 -2.85716 26.2757 26.2216 13.0381 -8.12712 10.9776 -33.4201 TIMING: 1850000 CPU: 5363.78, 0.00289349/step Wall: 5363.78, 0.00289349/step, 2.5318 hours remaining, 208.304688 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: 1850000 740.0000 2090.9157 1958.2638 120.7123 -206205.1969 17638.8318 0.0000 0.0000 34185.3910 -149471.0824 298.5495 -183656.4734 -149373.7967 298.3570 35.1504 66.6402 556486.9568 3.5578 3.4215 PRESSURE: 1850200 -55.5227 21.5908 67.8313 21.5915 -113.976 91.3577 67.833 91.357 -92.4989 GPRESSURE: 1850200 -35.9852 54.5336 100.839 1.09113 -112.141 49.3459 40.8296 114.033 -16.1252 PRESSAVG: 1850200 26.3416 44.3745 50.7274 44.3745 -25.8309 25.8709 50.7275 25.8709 11.9026 GPRESSAVG: 1850200 25.8659 43.7388 47.4848 43.2142 -25.5984 23.491 54.6307 28.551 12.2873 TIMING: 1850200 CPU: 5364.35, 0.00287498/step Wall: 5364.35, 0.00287498/step, 2.51544 hours remaining, 208.304688 MB of memory in use. ENERGY: 1850200 749.6758 2085.9491 1962.1372 121.0922 -206698.3012 17902.8003 0.0000 0.0000 34328.0597 -149548.5869 299.7955 -183876.6466 -149447.5172 298.3454 -87.3326 -54.7503 557366.2235 4.1377 4.1849 PRESSURE: 1850400 0.911829 9.99153 15.1336 9.9923 57.2015 -53.4945 15.1334 -53.4943 -17.4515 GPRESSURE: 1850400 22.4306 29.1523 10.1788 10.9603 137.937 -66.0192 7.76032 -86.0488 -21.0453 PRESSAVG: 1850400 24.886 -50.0922 -2.49251 -50.0921 8.4568 7.28048 -2.49262 7.2805 -30.9983 GPRESSAVG: 1850400 26.1938 -48.9359 -2.89059 -52.2314 7.56396 10.0717 -3.21429 5.80595 -31.2579 TIMING: 1850400 CPU: 5364.93, 0.00286949/step Wall: 5364.93, 0.00286949/step, 2.51048 hours remaining, 208.304688 MB of memory in use. ENERGY: 1850400 733.8345 2102.0165 1929.3349 107.1731 -206495.7457 17946.3511 0.0000 0.0000 34043.2537 -149633.7819 297.3082 -183677.0356 -149533.9725 297.6191 13.5539 46.4406 557321.6731 0.7815 0.8333 PRESSURE: 1850600 54.5026 -130.051 260.951 -130.051 143.36 -56.9526 260.952 -56.9527 19.3942 GPRESSURE: 1850600 87.6471 -199.728 201.082 -145.271 199.447 -112.233 194.615 -67.2987 23.8809 PRESSAVG: 1850600 23.6317 -37.1828 8.26329 -37.1828 -9.49091 21.0621 8.2633 21.0622 -53.8041 GPRESSAVG: 1850600 22.9003 -37.8255 11.0683 -36.1726 -8.35027 23.622 5.93339 20.2455 -53.8803 TIMING: 1850600 CPU: 5365.5, 0.00287195/step Wall: 5365.5, 0.00287195/step, 2.51248 hours remaining, 208.304688 MB of memory in use. ENERGY: 1850600 700.7961 2115.6180 1971.3954 109.0496 -206464.3422 17721.3111 0.0000 0.0000 34282.0809 -149564.0911 299.3939 -183846.1720 -149468.2638 298.4018 72.4190 103.6584 556385.5128 -13.2211 -13.1101 PRESSURE: 1850800 -119.027 -85.9833 -94.434 -85.9831 -46.1871 -5.86642 -94.4344 -5.86569 -145.173 GPRESSURE: 1850800 -95.9275 -109.524 -27.4177 -121.2 -7.28761 14.4323 -26.3754 -66.4317 -108.108 PRESSAVG: 1850800 44.0788 -19.4502 56.8086 -19.4504 55.7826 39.0963 56.8085 39.0964 -56.0239 GPRESSAVG: 1850800 43.7921 -19.3198 57.4462 -18.1161 56.1833 37.2996 58.3427 39.4522 -56.2321 TIMING: 1850800 CPU: 5366.08, 0.00289975/step Wall: 5366.08, 0.00289975/step, 2.53663 hours remaining, 208.304688 MB of memory in use. ENERGY: 1850800 721.1502 2094.6951 1939.5669 120.1260 -206155.7973 17616.3325 0.0000 0.0000 34017.6302 -149646.2963 297.0844 -183663.9265 -149546.8063 298.6432 -103.4623 -70.4410 557012.6939 14.6125 14.5811 PRESSURE: 1851000 -55.2266 165.722 -4.61142 165.723 -158.081 54.5084 -4.6127 54.5085 -171.352 GPRESSURE: 1851000 -40.509 135.256 82.1469 169.066 -96.0689 35.7844 -70.0434 80.3384 -154.284 PRESSAVG: 1851000 -22.4852 81.2914 8.71693 81.2914 -13.1453 -0.911942 8.71694 -0.911943 36.9313 GPRESSAVG: 1851000 -22.1896 81.9522 6.49189 80.0761 -13.4216 -1.36984 10.7405 0.234148 37.0141 TIMING: 1851000 CPU: 5366.66, 0.00290542/step Wall: 5366.66, 0.00290542/step, 2.54144 hours remaining, 208.304688 MB of memory in use. ENERGY: 1851000 727.8865 2075.9890 1948.2412 112.8315 -206389.0856 17867.2123 0.0000 0.0000 34183.7585 -149473.1666 298.5353 -183656.9251 -149373.8771 298.4590 -128.2199 -96.9540 557495.4249 0.4336 0.4676 PRESSURE: 1851200 -182.954 -118.771 33.7719 -118.77 -265.391 -20.1106 33.7705 -20.1112 -363.235 GPRESSURE: 1851200 -132.82 -176.676 28.2048 -14.4872 -233.548 20.1576 -0.407106 -109.453 -340.687 PRESSAVG: 1851200 -15.2395 36.2107 2.14084 36.2105 -22.0158 7.39657 2.14079 7.39659 -17.5725 GPRESSAVG: 1851200 -15.5167 36.8379 3.6711 34.3943 -21.9536 9.45435 0.00925709 3.75819 -17.549 TIMING: 1851200 CPU: 5367.24, 0.00289803/step Wall: 5367.24, 0.00289803/step, 2.53481 hours remaining, 208.304688 MB of memory in use. ENERGY: 1851200 740.6094 2093.8589 1940.7536 117.7450 -205860.2091 17402.4950 0.0000 0.0000 34114.6775 -149450.0697 297.9320 -183564.7472 -149360.4383 298.7655 -270.5269 -235.6849 557846.2999 -18.2759 -18.3398 PRESSURE: 1851400 190.058 69.6009 -37.4613 69.6001 -82.8693 -37.9187 -37.4604 -37.9206 -411.788 GPRESSURE: 1851400 244.385 102.407 -56.7251 97.689 -79.0088 -26.0352 -117.748 -99.16 -358.263 PRESSAVG: 1851400 18.723 32.0348 -31.6935 32.0348 56.0416 30.04 -31.6935 30.04 -65.3161 GPRESSAVG: 1851400 18.8069 31.4279 -31.387 33.0326 56.929 27.6538 -31.4775 33.9136 -66.4595 TIMING: 1851400 CPU: 5367.82, 0.0029007/step Wall: 5367.82, 0.0029007/step, 2.53698 hours remaining, 208.503906 MB of memory in use. ENERGY: 1851400 758.4478 2122.7263 1944.0726 113.6780 -206172.1159 17594.0209 0.0000 0.0000 34321.0598 -149318.1105 299.7344 -183639.1703 -149224.0236 299.1083 -101.5333 -64.2959 557000.6191 3.1495 3.0921 PRESSURE: 1851600 222.212 99.1744 -41.6441 99.173 -131.243 -82.8883 -41.6431 -82.8887 83.9256 GPRESSURE: 1851600 240.18 123.989 -104.232 113.799 -91.256 -89.3721 12.6621 -48.3489 113.179 PRESSAVG: 1851600 -12.4422 16.6106 -9.31055 16.6106 23.7363 49.0118 -9.31055 49.0117 -26.7859 GPRESSAVG: 1851600 -12.6461 16.5934 -9.91277 16.3772 23.3803 46.4601 -9.68867 48.476 -26.6873 TIMING: 1851600 CPU: 5368.4, 0.00288572/step Wall: 5368.4, 0.00288572/step, 2.52372 hours remaining, 208.503906 MB of memory in use. ENERGY: 1851600 756.3026 2048.7502 1967.4053 125.3620 -206616.8119 18142.1791 0.0000 0.0000 34304.7936 -149272.0192 299.5923 -183576.8128 -149182.4531 298.7976 58.2979 87.3674 557104.3428 -5.1639 -5.3177 PRESSURE: 1851800 -184.763 -110.831 8.70601 -110.832 -474.297 -31.9963 8.70599 -31.9961 -89.8978 GPRESSURE: 1851800 -156.572 -152.516 54.2102 -37.647 -397.572 -55.5977 -41.6661 48.658 -98.2605 PRESSAVG: 1851800 20.2304 44.6545 -25.3812 44.6546 -33.4922 53.6324 -25.3813 53.6324 12.2033 GPRESSAVG: 1851800 20.1739 41.7171 -26.248 46.1349 -33.4251 55.7725 -24.4915 53.8762 12.7836 TIMING: 1851800 CPU: 5368.98, 0.00289116/step Wall: 5368.98, 0.00289116/step, 2.52832 hours remaining, 208.503906 MB of memory in use. ENERGY: 1851800 742.3362 2068.3386 1961.7229 115.4186 -205955.9170 17527.5469 0.0000 0.0000 34345.8358 -149194.7180 299.9507 -183540.5538 -149091.0713 299.0644 -249.6523 -217.4680 558192.5361 -0.3528 -0.1559 PRESSURE: 1852000 186.211 4.50898 -12.5696 4.51041 -82.1251 20.082 -12.5694 20.0818 263.927 GPRESSURE: 1852000 233.396 -29.6732 9.27408 20.931 -30.1078 19.6858 -22.0179 -19.8359 263.363 PRESSAVG: 1852000 66.1394 24.9741 58.9576 24.9741 -48.1644 20.7131 58.9576 20.713 6.99695 GPRESSAVG: 1852000 66.7454 28.818 59.3806 23.3624 -49.3005 20.3213 58.9299 20.0737 7.5542 TIMING: 1852000 CPU: 5369.55, 0.00288132/step Wall: 5369.55, 0.00288132/step, 2.51956 hours remaining, 208.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1852000 749.6822 2010.6790 1970.9058 107.0485 -206169.0312 17918.6566 0.0000 0.0000 34185.7449 -149226.3142 298.5526 -183412.0591 -149127.2374 299.0892 122.6711 155.5501 557936.6437 8.3240 8.3331 PRESSURE: 1852200 -6.49207 71.669 -18.6987 71.6685 -31.1195 26.6045 -18.698 26.6049 -169.698 GPRESSURE: 1852200 43.6266 162.29 -54.7704 41.436 -7.90151 22.9394 39.0523 -9.01258 -145.872 PRESSAVG: 1852200 -5.08997 6.34301 9.51809 6.34302 -2.31657 -1.87241 9.51814 -1.87241 3.75031 GPRESSAVG: 1852200 -5.35004 5.56732 8.53699 6.78253 -1.4309 -0.860824 10.8531 -1.75062 3.36085 TIMING: 1852200 CPU: 5370.13, 0.00288061/step Wall: 5370.13, 0.00288061/step, 2.51878 hours remaining, 208.503906 MB of memory in use. ENERGY: 1852200 695.1443 2015.3363 1982.1975 107.8783 -206232.3165 17898.9288 0.0000 0.0000 34158.5744 -149374.2569 298.3153 -183532.8313 -149281.4385 297.9675 -69.1030 -36.7155 559325.8927 -1.2187 -1.1400 LDB: ============= START OF LOAD BALANCING ============== 5373.51 LDB: ============== END OF LOAD BALANCING =============== 5373.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5373.51 LDB: ============= START OF LOAD BALANCING ============== 5373.81 LDB: Largest compute 4820 load 0.024176 is 20.5% of average load 0.117961 LDB: Average compute 0.001715 is 1.5% of average load 0.117961 LDB: TIME 5373.81 LOAD: AVG 0.117961 MAX 0.182481 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.129 MB LDB: TIME 5373.81 LOAD: AVG 0.117961 MAX 0.182481 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.152 MB LDB: TIME 5373.81 LOAD: AVG 0.117961 MAX 0.182481 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5373.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5373.82 PRESSURE: 1852400 122.723 45.9641 -92.4081 45.9636 121.601 133.512 -92.4072 133.511 121.077 GPRESSURE: 1852400 116.037 53.1825 -111.353 68.6125 204.673 141.378 -100.87 47.4612 150.692 PRESSAVG: 1852400 12.3142 12.6351 -64.1216 12.635 -9.19781 36.3601 -64.1217 36.3601 15.9533 GPRESSAVG: 1852400 12.6481 11.3173 -64.078 12.6941 -10.1492 37.3708 -65.1336 36.1227 16.4534 TIMING: 1852400 CPU: 5370.72, 0.00295979/step Wall: 5370.72, 0.00295979/step, 2.58784 hours remaining, 209.687500 MB of memory in use. ENERGY: 1852400 726.1084 1999.1244 1952.1962 106.2281 -206072.0049 17979.4233 0.0000 0.0000 33936.3194 -149372.6050 296.3743 -183308.9244 -149277.2438 297.9471 121.8003 157.1338 558221.4939 6.3566 6.3174 PRESSURE: 1852600 270.957 119.679 97.6572 119.679 -43.0759 -35.6809 97.6574 -35.6817 -47.3026 GPRESSURE: 1852600 233.724 105.851 64.2314 131.497 -11.0622 -157.702 89.8816 78.6114 54.6413 PRESSAVG: 1852600 34.0046 -38.4657 40.0644 -38.4656 -54.422 40.6987 40.0643 40.6987 26.0512 GPRESSAVG: 1852600 34.1016 -36.6677 41.8104 -38.1196 -52.6319 38.0492 38.0686 41.3196 24.3999 TIMING: 1852600 CPU: 5371.3, 0.00291531/step Wall: 5371.3, 0.00291531/step, 2.54879 hours remaining, 210.144531 MB of memory in use. ENERGY: 1852600 724.2589 2053.2983 1965.9194 97.0134 -206362.9127 17753.6309 0.0000 0.0000 34453.1720 -149315.6199 300.8881 -183768.7919 -149223.4684 298.4083 60.1927 92.4344 555625.3992 1.8780 1.9565 PRESSURE: 1852800 71.1453 -95.8403 -19.2702 -95.8412 -210.151 15.1471 -19.2701 15.1474 147.834 GPRESSURE: 1852800 172.355 -38.1122 -39.3364 -93.9253 -172.41 -8.50237 54.0433 51.3665 120.104 PRESSAVG: 1852800 10.0942 5.58425 -10.2148 5.58421 -37.5521 28.2985 -10.2147 28.2985 39.8874 GPRESSAVG: 1852800 10.8447 4.50807 -11.1496 7.1937 -39.4183 28.5185 -8.18462 28.0431 41.0665 TIMING: 1852800 CPU: 5371.89, 0.00292799/step Wall: 5371.89, 0.00292799/step, 2.55971 hours remaining, 210.144531 MB of memory in use. ENERGY: 1852800 707.7667 2080.5531 1941.6325 113.6423 -206096.6028 17717.9512 0.0000 0.0000 34230.4896 -149304.5673 298.9434 -183535.0570 -149207.3283 298.9414 2.9429 40.0163 556382.0942 4.1432 4.1643 PRESSURE: 1853000 156.141 58.0387 174.459 58.0398 405.491 -5.75934 174.458 -5.75903 128.333 GPRESSURE: 1853000 98.1853 42.0221 165.705 38.9136 456.782 -63.9342 55.9522 -16.5834 242.448 PRESSAVG: 1853000 -1.32236 28.4773 -27.6685 28.4774 31.2757 13.8672 -27.6685 13.8672 -45.5258 GPRESSAVG: 1853000 -2.65659 29.0686 -27.0539 25.9333 31.3625 15.0007 -27.2877 15.1695 -44.0715 TIMING: 1853000 CPU: 5372.47, 0.00290549/step Wall: 5372.47, 0.00290549/step, 2.53988 hours remaining, 210.144531 MB of memory in use. ENERGY: 1853000 709.6142 2025.0909 1962.2514 115.4287 -206950.7149 18305.3271 0.0000 0.0000 34556.9345 -149276.0681 301.7943 -183833.0026 -149171.2473 300.0418 229.9885 265.8052 554962.7708 -5.1908 -5.1218 PRESSURE: 1853200 -6.47403 -7.21368 -17.8245 -7.21353 70.3737 30.8032 -17.8254 30.8032 -42.5161 GPRESSURE: 1853200 53.7161 30.3052 -23.8424 -22.8161 78.6342 -19.2628 -17.3111 101.714 -5.18986 PRESSAVG: 1853200 -42.1271 67.9443 13.0454 67.9442 16.618 21.8946 13.0453 21.8946 37.2014 GPRESSAVG: 1853200 -41.636 66.1007 13.0486 67.3671 17.0036 21.5579 14.1638 21.8184 36.0996 TIMING: 1853200 CPU: 5373.05, 0.00290243/step Wall: 5373.05, 0.00290243/step, 2.53704 hours remaining, 210.144531 MB of memory in use. ENERGY: 1853200 737.3208 2150.8022 1930.1990 121.1779 -206304.4804 17789.7355 0.0000 0.0000 34245.9992 -149329.2457 299.0788 -183575.2449 -149231.4641 299.7984 7.1279 42.3868 556008.7883 3.8974 3.8224 PRESSURE: 1853400 -28.6132 24.0025 107.213 24.0017 137.03 45.9041 107.213 45.9049 59.4279 GPRESSURE: 1853400 10.8046 117.048 149.52 -100.887 151.138 16.5087 127.575 36.0226 90.5675 PRESSAVG: 1853400 -32.488 85.9636 10.1324 85.9637 85.3121 15.1723 10.1324 15.1724 -55.8185 GPRESSAVG: 1853400 -31.6374 87.5005 9.57642 85.6394 84.8297 17.069 9.25667 13.6441 -55.9051 TIMING: 1853400 CPU: 5373.63, 0.0029182/step Wall: 5373.63, 0.0029182/step, 2.55067 hours remaining, 210.144531 MB of memory in use. ENERGY: 1853400 745.5598 2098.4622 1909.3759 111.6339 -206432.6267 17987.1966 0.0000 0.0000 34214.6600 -149365.7383 298.8051 -183580.3983 -149275.3314 298.8646 55.9483 84.1700 555781.0962 -0.9981 -0.9043 PRESSURE: 1853600 -66.5462 60.5783 29.3046 60.5772 28.897 -96.5417 29.3032 -96.5409 -75.7457 GPRESSURE: 1853600 -127.695 93.5535 -20.4952 42.0028 77.1921 -141.117 42.0868 -56.4102 33.9405 PRESSAVG: 1853600 16.3486 -13.5666 24.363 -13.5666 12.4188 40.4061 24.363 40.4061 -16.9285 GPRESSAVG: 1853600 14.9745 -14.7775 23.1729 -11.9214 12.7715 39.3432 25.3902 41.1129 -16.3727 TIMING: 1853600 CPU: 5374.22, 0.00292007/step Wall: 5374.22, 0.00292007/step, 2.55214 hours remaining, 210.437500 MB of memory in use. ENERGY: 1853600 747.2306 2075.2660 1944.9200 102.5793 -206387.6445 17839.2502 0.0000 0.0000 34102.6455 -149575.7528 297.8269 -183678.3984 -149480.1694 298.5486 -37.7983 -5.5208 557881.8676 3.9463 3.7911 PRESSURE: 1853800 -177.405 -116.837 140.042 -116.837 -21.1638 188.685 140.042 188.685 -439.824 GPRESSURE: 1853800 -71.4232 -143.413 248.908 -69.9089 -23.1036 188.093 92.9665 127.323 -447.267 PRESSAVG: 1853800 49.2864 4.8954 25.2531 4.89533 -63.2167 -0.238741 25.253 -0.238788 -3.00762 GPRESSAVG: 1853800 50.4444 3.4496 25.1549 6.05262 -64.131 0.42333 24.6062 -1.11037 -3.04227 TIMING: 1853800 CPU: 5374.8, 0.00289752/step Wall: 5374.8, 0.00289752/step, 2.53227 hours remaining, 210.437500 MB of memory in use. ENERGY: 1853800 760.7726 2080.0523 1949.9846 107.1895 -206241.8716 17656.6703 0.0000 0.0000 33982.6156 -149704.5866 296.7786 -183687.2022 -149611.0918 297.2817 -212.7976 -180.5978 558695.8430 -5.6460 -5.5763 PRESSURE: 1854000 -184.659 -96.2677 -45.2207 -96.2672 -143.983 79.0389 -45.2202 79.0402 -145.944 GPRESSURE: 1854000 -136.527 -44.9001 -98.9263 -119.848 -51.3482 33.6392 -92.1828 97.1095 -181.105 PRESSAVG: 1854000 52.5005 -4.46972 -26.3914 -4.46974 43.9911 -21.5224 -26.3915 -21.5224 -72.1987 GPRESSAVG: 1854000 51.5927 -2.31245 -25.1376 -6.61651 44.9542 -24.0448 -28.4396 -19.5342 -72.1582 TIMING: 1854000 CPU: 5375.38, 0.00289695/step Wall: 5375.38, 0.00289695/step, 2.53162 hours remaining, 210.437500 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: 1854000 755.7345 2059.3939 1984.6562 122.1237 -206494.3370 17649.0091 0.0000 0.0000 34114.8307 -149808.5888 297.9333 -183923.4195 -149715.3372 296.0198 -158.1955 -122.9932 557700.2905 8.0976 8.1296 PRESSURE: 1854200 -166.923 278.844 0.915896 278.844 -133.921 -59.6363 0.916215 -59.6372 -155.662 GPRESSURE: 1854200 -198.417 251.601 38.5917 242.91 -105.465 -69.843 2.29056 -28.4306 -47.6171 PRESSAVG: 1854200 -7.64935 30.0845 -14.9454 30.0846 95.7179 9.59077 -14.9455 9.59079 -71.475 GPRESSAVG: 1854200 -8.33983 28.4108 -14.4961 29.6365 96.5637 10.6189 -15.3089 10.1497 -71.2577 TIMING: 1854200 CPU: 5375.96, 0.00293141/step Wall: 5375.96, 0.00293141/step, 2.56156 hours remaining, 210.437500 MB of memory in use. ENERGY: 1854200 710.3928 2090.2610 1944.7345 122.1282 -206724.1782 17766.6290 0.0000 0.0000 34311.8347 -149778.1982 299.6538 -184090.0328 -149675.8735 297.7778 -152.1688 -117.1666 558535.1840 5.5312 5.6554 PRESSURE: 1854400 -250.295 198.836 13.4132 198.837 -341.808 75.6808 13.4141 75.6802 -428.471 GPRESSURE: 1854400 -301.911 187.738 -27.4805 113.298 -240.301 92.8798 -21.8751 120.122 -379.9 PRESSAVG: 1854400 -22.1996 0.952868 12.2755 0.952816 -14.1496 -43.1535 12.2755 -43.1535 37.9987 GPRESSAVG: 1854400 -22.412 1.49438 10.9518 2.81049 -13.822 -43.7186 12.4323 -44.229 38.5259 TIMING: 1854400 CPU: 5376.55, 0.00294682/step Wall: 5376.55, 0.00294682/step, 2.57486 hours remaining, 210.437500 MB of memory in use. ENERGY: 1854400 744.8734 2103.1250 1951.2974 120.3028 -206332.2392 17581.4929 0.0000 0.0000 34092.4619 -149738.6857 297.7379 -183831.1476 -149643.0721 297.8008 -340.1913 -307.3709 559876.2997 0.5498 0.7640 PRESSURE: 1854600 -188.357 -42.3673 -15.2583 -42.3663 83.0028 -26.1521 -15.2584 -26.1513 -56.3021 GPRESSURE: 1854600 -139.203 -45.2881 -30.5991 -42.0906 104.62 -48.3136 80.4631 -112.045 -29.4317 PRESSAVG: 1854600 -10.8361 -10.0161 19.9777 -10.0161 -32.0473 -2.27145 19.9776 -2.2714 33.1197 GPRESSAVG: 1854600 -9.59785 -9.68152 20.3287 -9.32579 -32.247 -1.39861 21.3098 -2.45048 32.1655 TIMING: 1854600 CPU: 5377.14, 0.00292533/step Wall: 5377.14, 0.00292533/step, 2.55593 hours remaining, 210.437500 MB of memory in use. ENERGY: 1854600 752.5094 2062.8967 1951.5681 123.5623 -206399.6070 17896.7121 0.0000 0.0000 33957.9382 -149654.4202 296.5631 -183612.3584 -149560.4061 297.5431 -53.8853 -21.3381 559093.9974 -3.2546 -3.2264 PRESSURE: 1854800 28.7344 51.403 154.55 51.4036 46.7713 -28.2175 154.551 -28.2184 -10.0796 GPRESSURE: 1854800 30.7555 -44.1419 156.325 83.5294 114.553 -11.6584 86.0712 71.7724 14.2627 PRESSAVG: 1854800 50.7504 -26.5945 22.3793 -26.5945 16.9226 32.0606 22.3795 32.0606 -37.4209 GPRESSAVG: 1854800 49.0524 -25.0738 22.2935 -28.4724 17.7086 32.0648 21.0928 31.8537 -36.821 TIMING: 1854800 CPU: 5377.72, 0.00290968/step Wall: 5377.72, 0.00290968/step, 2.54209 hours remaining, 210.437500 MB of memory in use. ENERGY: 1854800 716.9282 2068.9256 1926.5260 116.7696 -206918.1788 18054.3397 0.0000 0.0000 34416.2843 -149618.4053 300.5660 -184034.6896 -149512.6114 298.4572 21.8087 53.1905 558763.2288 10.0841 9.9800 PRESSURE: 1855000 1.81497 -31.4602 173.114 -31.4597 59.0273 -24.9256 173.112 -24.9246 -59.1412 GPRESSURE: 1855000 5.21842 -21.6309 218.673 34.6905 80.9674 -16.8028 132.997 -92.6617 -1.29445 PRESSAVG: 1855000 15.1829 -1.32365 24.3913 -1.32374 28.6778 45.9351 24.3913 45.935 -55.6306 GPRESSAVG: 1855000 16.3301 -2.1073 24.2192 -0.579765 28.5378 44.4323 25.0325 46.7183 -56.8678 TIMING: 1855000 CPU: 5378.3, 0.00291023/step Wall: 5378.3, 0.00291023/step, 2.54241 hours remaining, 210.437500 MB of memory in use. ENERGY: 1855000 750.8375 2035.8120 1966.6357 118.3190 -206903.9472 18045.7518 0.0000 0.0000 34219.2156 -149767.3755 298.8449 -183986.5911 -149674.3401 298.0567 0.5670 28.2971 556903.3613 -3.9233 -4.0000 PRESSURE: 1855200 -255.902 23.4555 -247.158 23.456 42.5424 94.0381 -247.158 94.0364 9.53509 GPRESSURE: 1855200 -184.037 -32.9416 -342.22 52.7825 66.5114 105.731 -197.022 107.36 13.3918 PRESSAVG: 1855200 29.3808 -8.99207 -17.4494 -8.99219 -7.78884 49.2714 -17.4493 49.2715 18.8399 GPRESSAVG: 1855200 29.4433 -7.58548 -17.7567 -8.9632 -9.46372 49.7899 -18.3525 49.8208 21.0068 TIMING: 1855200 CPU: 5378.89, 0.00291853/step Wall: 5378.89, 0.00291853/step, 2.5495 hours remaining, 210.437500 MB of memory in use. ENERGY: 1855200 737.8736 2094.6366 1964.4649 103.0289 -206385.0986 17771.7647 0.0000 0.0000 34181.9634 -149531.3666 298.5196 -183713.3300 -149434.1218 297.9990 -67.9415 -34.7112 558070.7953 13.4773 13.6621 PRESSURE: 1855400 -162.487 -52.409 234.364 -52.408 -442.581 93.5917 234.363 93.5915 -273.713 GPRESSURE: 1855400 -144.809 -54.3655 187.104 -19.627 -401.227 102.989 179.66 25.4282 -231.012 PRESSAVG: 1855400 43.9904 27.1142 -15.8819 27.1142 -49.8322 -1.52344 -15.8819 -1.52356 9.00943 GPRESSAVG: 1855400 44.2787 26.4525 -16.0166 27.856 -49.5785 -0.688386 -13.3751 -3.36604 7.98512 TIMING: 1855400 CPU: 5379.47, 0.00291957/step Wall: 5379.47, 0.00291957/step, 2.55025 hours remaining, 210.437500 MB of memory in use. ENERGY: 1855400 767.8289 2042.9472 1969.5938 122.2275 -206032.9420 17521.4201 0.0000 0.0000 34140.4684 -149468.4562 298.1572 -183608.9246 -149369.1666 298.8612 -292.9270 -259.0160 557157.4487 1.0559 0.8951 PRESSURE: 1855600 -18.8503 -129.541 105.85 -129.541 -179.218 -66.7167 105.852 -66.7154 -139.179 GPRESSURE: 1855600 34.2076 -78.8263 37.6553 -132.696 -154.011 22.4563 115.148 -139.632 -124.354 PRESSAVG: 1855600 33.0843 -15.2627 -35.6979 -15.2626 -37.6193 39.828 -35.6978 39.828 14.0146 GPRESSAVG: 1855600 31.9079 -15.6101 -32.8613 -17.4102 -36.3717 39.5697 -39.131 41.185 13.5529 TIMING: 1855600 CPU: 5380.06, 0.00294591/step Wall: 5380.06, 0.00294591/step, 2.57308 hours remaining, 210.437500 MB of memory in use. ENERGY: 1855600 757.5929 2071.9069 1984.1752 129.8046 -206194.2232 17693.3129 0.0000 0.0000 34172.9807 -149384.4500 298.4411 -183557.4307 -149292.5018 299.2267 -112.4157 -81.3858 557069.1786 3.1599 3.0297 PRESSURE: 1855800 -64.7815 68.3748 -32.6139 68.3745 -121.134 -13.2774 -32.6133 -13.2763 -98.299 GPRESSURE: 1855800 -48.1959 -10.4466 -62.644 131.165 -85.0404 -99.3089 49.819 2.39569 -68.1702 PRESSAVG: 1855800 82.508 -47.7276 -13.149 -47.7276 -12.6305 -14.7571 -13.149 -14.757 -72.3825 GPRESSAVG: 1855800 81.8907 -46.5752 -13.9024 -47.3758 -12.6757 -15.0584 -12.3078 -14.8435 -72.3083 TIMING: 1855800 CPU: 5380.64, 0.00293152/step Wall: 5380.64, 0.00293152/step, 2.56036 hours remaining, 210.437500 MB of memory in use. ENERGY: 1855800 741.4664 2138.5473 1970.9877 106.4997 -206230.5118 17715.5259 0.0000 0.0000 34351.1298 -149206.3550 299.9970 -183557.4848 -149116.8424 298.7529 -94.7383 -67.1355 558525.5471 -0.8350 -1.0311 PRESSURE: 1856000 265.191 59.4437 -43.0973 59.4441 -16.9398 147.032 -43.0972 147.032 -279.013 GPRESSURE: 1856000 283.998 133.987 -54.9988 -21.6479 -29.766 147.972 -15.1954 121.773 -193.999 PRESSAVG: 1856000 62.3862 -23.7604 1.04476 -23.7605 -0.306102 53.7919 1.04486 53.7918 -56.0876 GPRESSAVG: 1856000 62.7628 -24.0558 1.40047 -24.0451 -0.0564836 54.3777 1.29089 52.9493 -56.3945 TIMING: 1856000 CPU: 5381.23, 0.00292853/step Wall: 5381.23, 0.00292853/step, 2.55758 hours remaining, 210.437500 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: 1856000 725.9109 2053.1606 1965.1697 104.4204 -206172.9380 17739.2180 0.0000 0.0000 34441.7092 -149143.3492 300.7880 -183585.0584 -149038.8937 299.5481 -10.2539 20.0774 556893.5911 1.9975 2.1040 PRESSURE: 1856200 -182.56 -8.01492 74.2883 -8.01495 -133.848 -106.429 74.2875 -106.428 -199.686 GPRESSURE: 1856200 -165.325 33.9838 56.4837 -85.4122 -107.786 -63.5821 74.8867 -199.952 -144.395 PRESSAVG: 1856200 11.7491 -2.7526 -66.9203 -2.75263 -5.86989 15.6336 -66.9203 15.6336 20.9722 GPRESSAVG: 1856200 11.9727 -2.3064 -69.9944 -2.75364 -6.98946 15.2444 -65.5063 14.8623 22.1838 TIMING: 1856200 CPU: 5381.81, 0.00289861/step Wall: 5381.81, 0.00289861/step, 2.5313 hours remaining, 210.437500 MB of memory in use. ENERGY: 1856200 764.8342 2025.9854 1979.5950 119.3443 -205867.4189 17576.6893 0.0000 0.0000 34334.2755 -149066.6951 299.8498 -183400.9706 -148967.8550 299.2628 -172.0311 -139.1685 557059.6092 8.9505 9.0557 LDB: ============= START OF LOAD BALANCING ============== 5385.19 LDB: ============== END OF LOAD BALANCING =============== 5385.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5385.2 LDB: ============= START OF LOAD BALANCING ============== 5385.48 LDB: Largest compute 4820 load 0.023483 is 19.9% of average load 0.118015 LDB: Average compute 0.001711 is 1.4% of average load 0.118015 LDB: TIME 5385.49 LOAD: AVG 0.118015 MAX 0.181635 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.898 MB LDB: TIME 5385.49 LOAD: AVG 0.118015 MAX 0.181635 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: TIME 5385.49 LOAD: AVG 0.118015 MAX 0.181635 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: ============== END OF LOAD BALANCING =============== 5385.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5385.49 PRESSURE: 1856400 148.159 120.328 -113.591 120.329 -74.6143 -106.849 -113.592 -106.849 -222.094 GPRESSURE: 1856400 148.481 90.9612 -37.3831 77.8807 2.48041 -76.568 -153.178 -186.733 -192.267 PRESSAVG: 1856400 14.8716 15.5418 -25.5767 15.5418 28.5323 12.9876 -25.5768 12.9876 -39.0041 GPRESSAVG: 1856400 14.6379 11.9877 -26.2398 17.5863 29.3183 12.9943 -25.6238 15.7193 -39.5552 TIMING: 1856400 CPU: 5382.4, 0.00293317/step Wall: 5382.4, 0.00293317/step, 2.56131 hours remaining, 209.382812 MB of memory in use. ENERGY: 1856400 779.8939 2116.6698 1952.0401 120.1847 -206232.3589 17890.6227 0.0000 0.0000 34256.3272 -149116.6205 299.1690 -183372.9477 -149021.4671 299.7467 -49.5164 -13.7685 558126.5538 1.4666 1.4670 PRESSURE: 1856600 -276.371 -57.0062 66.6821 -57.0061 -113.593 48.8967 66.6816 48.8964 -425.516 GPRESSURE: 1856600 -222.009 -25.1522 38.9298 -20.9374 -89.8268 60.9896 196.008 56.1122 -397.44 PRESSAVG: 1856600 53.7727 10.7232 9.54195 10.7231 -29.0115 2.31649 9.54192 2.3165 -22.5893 GPRESSAVG: 1856600 53.9871 11.7126 11.0244 8.49997 -28.8627 0.672267 10.4402 3.1891 -22.1985 TIMING: 1856600 CPU: 5382.98, 0.00290294/step Wall: 5382.98, 0.00290293/step, 2.53475 hours remaining, 209.582031 MB of memory in use. ENERGY: 1856600 764.6599 2096.4780 1977.3313 103.1772 -205790.1398 17460.7681 0.0000 0.0000 34003.3286 -149384.3968 296.9595 -183387.7254 -149292.1751 299.2485 -271.8266 -236.4252 558045.6257 0.7240 0.9753 PRESSURE: 1856800 70.8798 47.6334 -48.1154 47.6331 14.6275 -80.288 -48.1151 -80.2893 189.725 GPRESSURE: 1856800 160.165 -22.7603 -48.0258 161.909 60.7002 -31.8114 -82.2863 -120.663 150.729 PRESSAVG: 1856800 82.3355 -15.264 -23.797 -15.2639 -20.3784 13.7649 -23.7969 13.7651 -67.4643 GPRESSAVG: 1856800 82.9886 -15.5404 -22.7171 -15.0152 -20.941 15.7453 -24.9338 9.39271 -67.4486 TIMING: 1856800 CPU: 5383.55, 0.00287082/step Wall: 5383.55, 0.00287082/step, 2.50654 hours remaining, 209.582031 MB of memory in use. ENERGY: 1856800 763.0912 2117.0385 1934.1124 119.4437 -206436.2752 17989.7361 0.0000 0.0000 34180.7301 -149332.1233 298.5088 -183512.8533 -149238.1478 298.2579 91.7440 123.8646 557407.5216 -1.8357 -1.8003 PRESSURE: 1857000 -189.225 -66.3916 49.904 -66.3923 87.0447 -90.3423 49.9036 -90.3413 177.292 GPRESSURE: 1857000 -126.589 -87.2526 104.791 -79.3471 65.1491 11.2641 45.6397 -91.3242 246.487 PRESSAVG: 1857000 53.58 5.97623 40.1481 5.97622 -49.8595 -36.0918 40.1482 -36.0919 -14.0138 GPRESSAVG: 1857000 53.164 5.98521 38.7676 5.40059 -51.9254 -37.601 40.0423 -33.2246 -11.9728 TIMING: 1857000 CPU: 5384.13, 0.00290519/step Wall: 5384.13, 0.00290519/step, 2.53639 hours remaining, 209.582031 MB of memory in use. ENERGY: 1857000 745.8579 2084.9946 1925.7879 105.5448 -206514.5521 18038.2017 0.0000 0.0000 34248.8037 -149365.3615 299.1033 -183614.1652 -149270.3950 298.4836 25.0371 61.6825 557415.6098 -3.4311 -3.5781 PRESSURE: 1857200 -89.1485 -35.0947 -2.53258 -35.0943 -225.436 -31.7978 -2.53179 -31.7967 105.85 GPRESSURE: 1857200 -64.8794 -53.8194 -13.5431 -21.5781 -219.068 33.1214 -43.9087 -45.6917 160 PRESSAVG: 1857200 -39.411 37.5528 20.9185 37.5528 -29.5277 -36.343 20.9185 -36.3429 63.2129 GPRESSAVG: 1857200 -40.3632 35.9239 22.3877 40.3196 -27.5579 -35.3523 20.1092 -38.2549 62.1223 TIMING: 1857200 CPU: 5384.72, 0.00291811/step Wall: 5384.72, 0.00291811/step, 2.54751 hours remaining, 209.582031 MB of memory in use. ENERGY: 1857200 714.7584 2099.6142 1953.1416 126.2332 -206211.0272 17719.3272 0.0000 0.0000 34204.5410 -149393.4115 298.7168 -183597.9525 -149304.1231 298.6182 -69.5781 -41.3158 555452.1337 -1.9086 -1.9329 PRESSURE: 1857400 -2.0679 -46.8016 67.4448 -46.8018 67.5892 76.7584 67.4453 76.759 -249.006 GPRESSURE: 1857400 67.5662 33.0721 32.2249 65.4934 65.4997 50.8064 51.8655 -36.4656 -210.867 PRESSAVG: 1857400 3.00193 -7.64685 -40.6499 -7.64686 -17.6356 7.63884 -40.6499 7.63882 18.2868 GPRESSAVG: 1857400 4.39313 -6.05441 -39.9322 -8.65916 -18.5544 8.11243 -41.7559 7.55635 17.4637 TIMING: 1857400 CPU: 5385.3, 0.00290806/step Wall: 5385.3, 0.00290806/step, 2.53858 hours remaining, 209.582031 MB of memory in use. ENERGY: 1857400 775.3534 2080.9805 1989.2095 114.7159 -206427.1965 17769.1277 0.0000 0.0000 34256.8815 -149440.9280 299.1739 -183697.8095 -149338.9164 298.9514 -61.1616 -25.9337 556533.9965 1.2177 1.1008 PRESSURE: 1857600 -7.27016 157.451 3.51498 157.452 -22.1503 155.354 3.51499 155.351 -7.61718 GPRESSURE: 1857600 -25.9423 86.1734 15.6924 229.287 26.8961 141.501 16.4366 120.509 63.7061 PRESSAVG: 1857600 24.2651 37.4005 -1.42891 37.4004 19.843 0.257026 -1.42886 0.257092 -57.8864 GPRESSAVG: 1857600 24.6696 37.6406 -2.16085 37.2899 20.3268 -1.09077 -0.717391 2.09117 -58.5369 TIMING: 1857600 CPU: 5385.88, 0.00289018/step Wall: 5385.88, 0.00289018/step, 2.5228 hours remaining, 209.582031 MB of memory in use. ENERGY: 1857600 741.6472 2082.1025 1938.4924 102.6827 -206603.3170 17815.7338 0.0000 0.0000 34173.7426 -149748.9157 298.4478 -183922.6583 -149658.8485 298.4749 -12.3459 21.5533 556425.7901 -4.5928 -4.5135 PRESSURE: 1857800 -76.0963 -89.6745 104.535 -89.6752 -87.5968 82.3559 104.535 82.3553 -82.6153 GPRESSURE: 1857800 -27.1832 -103.209 35.15 -89.82 -34.6739 79.4965 114.917 52.3136 -82.0088 PRESSAVG: 1857800 -16.2769 55.4124 19.4966 55.4124 25.6136 19.6365 19.4966 19.6366 -19.4382 GPRESSAVG: 1857800 -16.9566 54.2594 17.5788 55.3811 26.0726 18.3834 21.2584 19.4665 -19.1341 TIMING: 1857800 CPU: 5386.46, 0.00289875/step Wall: 5386.46, 0.00289875/step, 2.53012 hours remaining, 209.582031 MB of memory in use. ENERGY: 1857800 755.7388 2062.6966 1946.2298 113.6380 -206724.4185 17932.5617 0.0000 0.0000 34283.3434 -149630.2101 299.4050 -183913.5535 -149537.9283 298.0332 -82.1028 -47.9553 556849.9914 -3.3672 -3.3394 PRESSURE: 1858000 134.969 -97.3796 -11.7692 -97.3785 103.484 33.4942 -11.7695 33.4946 219.941 GPRESSURE: 1858000 195.654 -49.8626 -18.345 -113.809 123.084 109.306 -18.7164 -23.4651 235.372 PRESSAVG: 1858000 34.588 -42.9662 -24.1704 -42.9662 -38.3593 -15.3151 -24.1704 -15.3151 -9.42186 GPRESSAVG: 1858000 34.1533 -44.4348 -23.3101 -41.4555 -37.1277 -13.2498 -26.0283 -16.373 -10.4684 TIMING: 1858000 CPU: 5387.04, 0.00291811/step Wall: 5387.04, 0.00291811/step, 2.54686 hours remaining, 209.652344 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: 1858000 752.1966 2052.4179 1929.4416 105.1554 -206811.9055 18234.4403 0.0000 0.0000 34138.6433 -149599.6104 298.1413 -183738.2538 -149513.7353 298.0797 152.7978 184.7035 557699.4742 -4.3977 -4.4810 PRESSURE: 1858200 -180.212 -44.5295 -110.463 -44.5302 -144.822 36.9505 -110.464 36.9507 -147.851 GPRESSURE: 1858200 -174.958 -28.3166 -17.9262 67.8961 -103.655 78.4903 -234.152 -16.4632 -84.9329 PRESSAVG: 1858200 41.8998 3.08855 -59.3817 3.08862 -43.3272 28.8249 -59.3817 28.8249 47.9363 GPRESSAVG: 1858200 42.1551 5.22017 -60.7375 3.42901 -43.322 28.4259 -58.3809 29.5057 48.2343 TIMING: 1858200 CPU: 5387.62, 0.00289603/step Wall: 5387.62, 0.00289603/step, 2.52743 hours remaining, 209.652344 MB of memory in use. ENERGY: 1858200 756.0676 2006.1411 1967.6036 123.7303 -206127.0318 17604.3550 0.0000 0.0000 34270.9863 -149398.1478 299.2970 -183669.1341 -149307.1206 298.7009 -157.6283 -121.1822 556586.9458 15.5030 15.6891 PRESSURE: 1858400 13.6166 120.777 2.11663 120.776 18.8208 81.5737 2.11676 81.5737 -245.074 GPRESSURE: 1858400 67.5041 66.7119 -21.3565 168.075 8.4609 135.317 92.4017 1.73172 -195.306 PRESSAVG: 1858400 0.942466 37.3223 -59.5785 37.3224 -12.4311 -22.9473 -59.5784 -22.9473 -32.2413 GPRESSAVG: 1858400 1.66199 37.0518 -58.0277 36.6729 -13.7772 -22.4379 -59.8111 -23.5836 -31.5208 TIMING: 1858400 CPU: 5388.2, 0.00290825/step Wall: 5388.2, 0.00290825/step, 2.53794 hours remaining, 209.652344 MB of memory in use. ENERGY: 1858400 792.3746 2097.9327 1942.8959 111.6701 -206284.9415 17824.8853 0.0000 0.0000 33999.2786 -149515.9043 296.9242 -183515.1829 -149418.0762 298.1153 -70.8789 -39.7804 557710.2388 -14.5766 -14.5453 PRESSURE: 1858600 -105.514 87.0957 150.782 87.0969 -247.241 85.3545 150.781 85.3549 -24.0789 GPRESSURE: 1858600 -90.871 154.054 77.7812 82.1594 -178.789 37.07 107.681 94.78 -6.31733 PRESSAVG: 1858600 54.4603 63.0688 22.0461 63.0687 -69.3091 -7.86346 22.0459 -7.86334 45.1664 GPRESSAVG: 1858600 53.351 64.7218 22.6888 59.8457 -68.7799 -10.3331 22.5562 -6.6443 45.4318 TIMING: 1858600 CPU: 5388.78, 0.00291651/step Wall: 5388.78, 0.00291651/step, 2.54498 hours remaining, 209.652344 MB of memory in use. ENERGY: 1858600 773.1056 2088.0941 1942.0438 102.8895 -205920.9606 17520.8492 0.0000 0.0000 34093.2659 -149400.7124 297.7450 -183493.9783 -149298.5818 298.4733 -125.6116 -91.9924 557594.7026 10.1059 10.0010 PRESSURE: 1858800 189.844 -47.2726 -81.5989 -47.2721 -161.023 -84.6936 -81.6004 -84.6925 50.5099 GPRESSURE: 1858800 174.973 0.463113 -63.4919 21.5661 -145.282 30.4529 -108.252 -118.759 137.722 PRESSAVG: 1858800 -5.11575 18.3742 46.81 18.3741 -18.1935 35.9392 46.81 35.9392 36.1424 GPRESSAVG: 1858800 -5.52523 16.9707 45.7025 20.7089 -18.1175 39.6949 46.9263 32.6172 35.9711 TIMING: 1858800 CPU: 5389.36, 0.0028684/step Wall: 5389.36, 0.0028684/step, 2.50284 hours remaining, 209.652344 MB of memory in use. ENERGY: 1858800 692.2432 2050.5294 1966.4934 129.4152 -206009.1773 17728.1699 0.0000 0.0000 34079.7367 -149362.5895 297.6268 -183442.3262 -149270.0622 298.2971 26.4434 55.8045 558020.1147 4.2777 4.1095 PRESSURE: 1859000 -267.744 -32.0637 63.2513 -32.0625 -14.5926 -4.44085 63.2517 -4.44172 -175.863 GPRESSURE: 1859000 -231.262 22.9829 82.0865 -22.0771 -72.9476 62.9179 69.5412 19.6968 -59.7685 PRESSAVG: 1859000 6.24823 80.5534 -16.5742 80.5535 18.3486 28.3519 -16.5742 28.3518 -26.4093 GPRESSAVG: 1859000 6.09302 80.6911 -14.9273 78.9612 18.0806 25.2416 -17.386 31.3975 -25.6492 TIMING: 1859000 CPU: 5389.93, 0.00287459/step Wall: 5389.93, 0.00287459/step, 2.50808 hours remaining, 209.652344 MB of memory in use. ENERGY: 1859000 741.6494 2057.6383 1992.0323 124.6615 -206037.4388 17404.8689 0.0000 0.0000 34272.8083 -149443.7801 299.3130 -183716.5884 -149342.9200 298.1865 -152.7329 -121.3260 556044.5488 -0.6042 -0.4919 PRESSURE: 1859200 -22.8778 -43.6369 47.0681 -43.6382 -172.28 -82.4029 47.0676 -82.4031 90.4922 GPRESSURE: 1859200 -3.15759 60.815 58.8288 -137.283 -163.768 -86.645 78.9282 -29.2024 155.769 PRESSAVG: 1859200 22.6904 -2.04717 -47.5906 -2.04707 -2.54899 -11.9057 -47.5906 -11.9059 4.59996 GPRESSAVG: 1859200 22.6014 -3.22438 -47.3668 -2.06356 -2.33636 -12.2303 -47.4525 -14.011 4.29459 TIMING: 1859200 CPU: 5390.51, 0.00290459/step Wall: 5390.51, 0.00290459/step, 2.53409 hours remaining, 209.652344 MB of memory in use. ENERGY: 1859200 711.2681 2052.1959 1998.1925 114.0259 -206532.5849 17922.1158 0.0000 0.0000 34066.2842 -149668.5025 297.5093 -183734.7867 -149568.2551 298.2912 -34.8886 -3.7191 557535.3080 8.2471 8.1866 PRESSURE: 1859400 147.604 -62.6743 -9.96967 -62.6746 -262.993 -43.3488 -9.96919 -43.3489 -111.835 GPRESSURE: 1859400 152.854 -85.033 27.6625 -98.139 -240.24 -11.3053 -69.928 -78.1174 -48.2558 PRESSAVG: 1859400 33.1036 27.8297 -58.2444 27.8298 -14.4339 53.7422 -58.2444 53.7423 -14.1781 GPRESSAVG: 1859400 33.091 28.3372 -59.7948 29.0014 -13.7758 55.6881 -58.4158 56.5407 -14.3599 TIMING: 1859400 CPU: 5391.09, 0.00289878/step Wall: 5391.09, 0.00289878/step, 2.52886 hours remaining, 209.652344 MB of memory in use. ENERGY: 1859400 751.4531 2089.6597 1945.9317 110.0666 -206099.8338 17711.1290 0.0000 0.0000 34063.4518 -149428.1419 297.4846 -183491.5937 -149341.6865 298.0540 -75.7411 -45.2139 556633.5493 1.4972 1.6518 PRESSURE: 1859600 33.0433 -28.186 -157.173 -28.1858 272.058 47.8986 -157.172 47.8981 25.3659 GPRESSURE: 1859600 85.9113 44.365 -244.019 -73.4097 262.104 58.32 -49.5646 25.1107 89.717 PRESSAVG: 1859600 -18.757 -18.4059 -34.4023 -18.406 -31.9448 5.29827 -34.4023 5.29821 74.5557 GPRESSAVG: 1859600 -18.6871 -16.4127 -34.1859 -20.0094 -32.1255 3.8156 -34.1906 4.67917 75.1355 TIMING: 1859600 CPU: 5391.67, 0.00289227/step Wall: 5391.67, 0.00289227/step, 2.52303 hours remaining, 209.652344 MB of memory in use. ENERGY: 1859600 773.4483 2102.8741 1968.4086 113.1070 -206192.4801 17814.0844 0.0000 0.0000 34192.6752 -149227.8824 298.6131 -183420.5576 -149132.9715 298.9989 110.1557 145.9108 555935.6219 7.9513 8.1077 PRESSURE: 1859800 -108.846 -94.0958 73.0418 -94.0961 -298.114 -50.0765 73.0416 -50.0773 125.668 GPRESSURE: 1859800 -89.511 -30.8486 158.044 -142.269 -225.72 -15.6243 -23.1607 -41.5705 120.432 PRESSAVG: 1859800 9.75945 49.1381 -1.49052 49.1381 -39.3332 -16.0532 -1.4904 -16.0533 5.40063 GPRESSAVG: 1859800 10.0947 46.6072 -0.614958 50.8631 -39.2154 -15.3771 -3.75405 -19.6828 4.38903 TIMING: 1859800 CPU: 5392.25, 0.0028823/step Wall: 5392.25, 0.0028823/step, 2.51417 hours remaining, 209.652344 MB of memory in use. ENERGY: 1859800 769.4799 2116.7605 1965.5186 108.8881 -205907.6786 17595.2416 0.0000 0.0000 34155.6075 -149196.1824 298.2894 -183351.7899 -149103.7837 299.0456 -93.7639 -64.9329 557868.5238 -8.0577 -8.2439 PRESSURE: 1860000 133.679 107.267 -110.433 107.265 167.169 -12.2689 -110.434 -12.2704 149.234 GPRESSURE: 1860000 179.047 106.904 -180.787 77.2728 116.32 19.8176 -14.6798 -8.25031 248.389 PRESSAVG: 1860000 37.1271 40.4755 -44.2657 40.4756 -73.2344 -42.7193 -44.2658 -42.7195 49.5403 GPRESSAVG: 1860000 36.4001 39.2758 -42.5132 42.4426 -74.1489 -42.3824 -45.8413 -40.3137 50.6724 TIMING: 1860000 CPU: 5392.82, 0.00288258/step Wall: 5392.82, 0.00288258/step, 2.51425 hours remaining, 209.652344 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: 1860000 708.5673 2118.2706 1983.4578 128.6898 -206418.7421 18024.7993 0.0000 0.0000 34220.9898 -149233.9675 298.8604 -183454.9574 -149142.5237 299.7603 150.0276 181.2519 557854.9826 4.4777 4.3079 PRESSURE: 1860200 -106.834 -148.792 -64.9419 -148.792 94.0779 -141.472 -64.9435 -141.471 71.1985 GPRESSURE: 1860200 -73.0724 -86.4732 -75.4718 -31.7985 168.095 -90.9017 8.79125 -164.833 64.7547 PRESSAVG: 1860200 10.4439 0.11254 -41.5096 0.112586 17.4446 -14.8779 -41.5096 -14.8779 -28.6518 GPRESSAVG: 1860200 10.3804 2.07111 -45.031 -1.33607 18.1719 -14.6088 -38.3825 -13.9493 -29.351 TIMING: 1860200 CPU: 5393.4, 0.00287012/step Wall: 5393.4, 0.00287012/step, 2.50323 hours remaining, 209.652344 MB of memory in use. ENERGY: 1860200 750.1466 2088.6161 1966.5109 107.3155 -206317.6585 17752.6161 0.0000 0.0000 34369.8908 -149282.5625 300.1608 -183652.4533 -149183.1554 299.0744 19.4809 53.2591 556433.5093 -0.2544 -0.2662 LDB: ============= START OF LOAD BALANCING ============== 5396.78 LDB: ============== END OF LOAD BALANCING =============== 5396.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5396.78 LDB: ============= START OF LOAD BALANCING ============== 5397.07 LDB: Largest compute 4820 load 0.023930 is 20.3% of average load 0.118025 LDB: Average compute 0.001723 is 1.5% of average load 0.118025 LDB: TIME 5397.07 LOAD: AVG 0.118025 MAX 0.180624 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.672 MB LDB: TIME 5397.07 LOAD: AVG 0.118025 MAX 0.180624 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.711 MB LDB: TIME 5397.08 LOAD: AVG 0.118025 MAX 0.180624 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5397.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5397.08 PRESSURE: 1860400 -10.6234 65.5637 -90.1476 65.564 -270.465 -8.51471 -90.1483 -8.51488 106.95 GPRESSURE: 1860400 36.6617 117.706 -96.8473 30.7137 -259.063 40.5555 -150.442 -0.953404 143.383 PRESSAVG: 1860400 -47.1678 -14.6366 50.3062 -14.6365 35.4387 -27.0886 50.3062 -27.0886 67.3287 GPRESSAVG: 1860400 -46.7613 -14.9093 51.0494 -17.0388 35.1418 -28.1998 50.7184 -27.7668 67.5412 TIMING: 1860400 CPU: 5393.99, 0.00293703/step Wall: 5393.99, 0.00293703/step, 2.56142 hours remaining, 209.152344 MB of memory in use. ENERGY: 1860400 732.8753 2066.4778 1968.9265 126.2312 -206326.5357 17911.2564 0.0000 0.0000 34503.9056 -149016.8630 301.3312 -183520.7685 -148917.9902 299.3868 -58.0462 -26.3395 558060.1808 18.5332 18.6406 PRESSURE: 1860600 1.88203 -65.1719 -33.5253 -65.1704 -85.0111 -113.84 -33.5255 -113.84 97.6147 GPRESSURE: 1860600 97.6725 -100.647 -3.21347 -71.0485 -65.5962 -132.467 -20.675 -107.221 86.0358 PRESSAVG: 1860600 -4.78035 4.9976 -8.25442 4.99751 -51.4036 -19.1906 -8.25448 -19.1907 60.8021 GPRESSAVG: 1860600 -4.87978 6.20094 -7.87444 5.37164 -51.6731 -19.9564 -9.52903 -18.7816 60.7262 TIMING: 1860600 CPU: 5394.56, 0.00286408/step Wall: 5394.56, 0.00286408/step, 2.49764 hours remaining, 209.292969 MB of memory in use. ENERGY: 1860600 723.0598 2087.9506 1980.3938 119.8639 -206005.4335 17756.4868 0.0000 0.0000 34073.8457 -149263.8328 297.5754 -183337.6785 -149176.9505 300.3455 4.8286 39.3707 556898.3034 1.5394 1.3911 PRESSURE: 1860800 60.0196 -170.245 -49.1295 -170.245 111.565 -112.043 -49.1293 -112.043 71.0858 GPRESSURE: 1860800 138.444 -117.603 -98.4835 -219.028 111.665 -87.4691 -62.8202 -167.806 88.9763 PRESSAVG: 1860800 -58.7739 19.3679 30.9793 19.3679 58.8464 -0.223298 30.9793 -0.223303 -39.5461 GPRESSAVG: 1860800 -57.2147 18.0588 31.976 20.6635 59.3006 -0.881993 30.4927 1.69095 -41.7267 TIMING: 1860800 CPU: 5395.13, 0.00287006/step Wall: 5395.13, 0.00287006/step, 2.50269 hours remaining, 209.292969 MB of memory in use. ENERGY: 1860800 752.1821 2110.1421 1945.7031 105.5771 -206155.0733 17887.3886 0.0000 0.0000 34055.1826 -149298.8976 297.4124 -183354.0802 -149198.2933 299.1827 80.8903 113.0284 555886.0774 -13.1579 -13.2136 PRESSURE: 1861000 -34.9906 198.734 32.9144 198.733 -108.066 63.5807 32.916 63.5805 -52.9159 GPRESSURE: 1861000 -32.6601 215.57 34.8364 126.773 -35.6351 151.879 37.4643 22.8507 -22.8804 PRESSAVG: 1861000 8.48698 10.1907 -34.0934 10.1906 39.9807 -8.56509 -34.0935 -8.56482 -34.1588 GPRESSAVG: 1861000 7.51612 9.07028 -35.0325 9.82904 39.2679 -6.46388 -32.2091 -10.0669 -32.0823 TIMING: 1861000 CPU: 5395.71, 0.0028702/step Wall: 5395.71, 0.0028702/step, 2.50266 hours remaining, 209.292969 MB of memory in use. ENERGY: 1861000 722.5348 2112.6612 1956.5293 114.2394 -206340.1331 17748.0038 0.0000 0.0000 34325.0778 -149361.0868 299.7694 -183686.1646 -149265.4832 298.9607 -65.3242 -30.3919 555592.4502 4.7696 4.9006 PRESSURE: 1861200 -391.333 28.809 65.7964 28.8093 -156.371 -27.2145 65.7981 -27.2132 56.8221 GPRESSURE: 1861200 -326.32 53.2616 -44.8018 45.3308 -118.808 39.6267 31.8828 -57.613 54.1294 PRESSAVG: 1861200 17.5428 -1.0954 -11.461 -1.09538 11.0425 21.6675 -11.461 21.6677 17.7768 GPRESSAVG: 1861200 17.1625 -0.684846 -11.7163 -3.21708 11.0886 20.8039 -12.7134 19.8734 18.4685 TIMING: 1861200 CPU: 5396.28, 0.00286879/step Wall: 5396.28, 0.00286879/step, 2.50127 hours remaining, 209.292969 MB of memory in use. ENERGY: 1861200 756.5713 2087.3218 1979.8251 117.4058 -206207.3353 17612.9308 0.0000 0.0000 34419.7793 -149233.5013 300.5965 -183653.2806 -149129.1638 298.7859 -163.6274 -130.3329 556767.5769 15.4540 15.5732 PRESSURE: 1861400 -375.615 150.219 -175.931 150.218 -27.7843 -61.28 -175.931 -61.2791 -535.942 GPRESSURE: 1861400 -359.656 69.1753 -144.191 215.282 -23.9828 -85.327 -133.871 -55.6581 -464.938 PRESSAVG: 1861400 11.3811 71.8913 11.3478 71.8913 55.8633 -19.8938 11.3478 -19.8938 -29.0225 GPRESSAVG: 1861400 11.4373 70.0668 11.1776 74.9771 55.7847 -18.973 13.0593 -18.5378 -28.7223 TIMING: 1861400 CPU: 5396.86, 0.00289659/step Wall: 5396.86, 0.00289659/step, 2.52535 hours remaining, 209.292969 MB of memory in use. ENERGY: 1861400 711.3217 2115.4508 1976.9316 118.8385 -205845.5495 17377.0772 0.0000 0.0000 34387.3723 -149158.5573 300.3135 -183545.9296 -149060.5871 299.8295 -313.1137 -282.8589 558720.5927 12.7406 12.8332 PRESSURE: 1861600 -248.704 -34.2082 -50.8211 -34.2085 -78.2601 -157.987 -50.8212 -157.989 -219.84 GPRESSURE: 1861600 -175.486 -40.3688 -92.015 -17.4095 -29.4101 -84.7565 -28.7069 -175.31 -243.363 PRESSAVG: 1861600 13.3879 52.9814 -5.50484 52.9814 20.4769 17.3055 -5.50487 17.3055 -32.7493 GPRESSAVG: 1861600 13.709 54.4956 -6.20319 53.1161 21.3376 16.3875 -6.20665 17.284 -33.6621 TIMING: 1861600 CPU: 5397.44, 0.00289913/step Wall: 5397.44, 0.00289913/step, 2.5274 hours remaining, 209.292969 MB of memory in use. ENERGY: 1861600 769.6509 2060.4406 1959.2877 113.6827 -205969.9864 17668.5168 0.0000 0.0000 34172.4661 -149225.9416 298.4366 -183398.4078 -149133.1502 299.1175 -182.2682 -149.4197 558384.2741 0.3718 0.4615 PRESSURE: 1861800 -115.384 -76.7457 -19.3777 -76.7473 -229.884 -34.3553 -19.3774 -34.3577 141.121 GPRESSURE: 1861800 -85.3803 -108.417 -50.3749 -8.81526 -179.312 -37.1305 -41.1071 3.16721 146.203 PRESSAVG: 1861800 3.79301 -6.53781 -16.6845 -6.53772 -42.4096 -45.0358 -16.6845 -45.0358 21.1815 GPRESSAVG: 1861800 1.96574 -4.78307 -16.6938 -8.28565 -41.1748 -45.7626 -18.2335 -45.7709 21.6877 TIMING: 1861800 CPU: 5398.02, 0.00290471/step Wall: 5398.02, 0.00290471/step, 2.5321 hours remaining, 209.292969 MB of memory in use. ENERGY: 1861800 782.3493 2108.3030 1926.2400 112.2135 -206165.5543 17822.6321 0.0000 0.0000 34156.1220 -149257.6944 298.2939 -183413.8165 -149163.6789 298.7845 -68.0489 -39.4967 557424.0371 -5.8117 -5.8405 PRESSURE: 1862000 -71.5215 145.899 -6.90428 145.898 72.1212 -28.136 -6.9036 -28.1352 67.9056 GPRESSURE: 1862000 -26.6742 186.869 -2.08254 50.6928 114.218 -115.375 23.153 -35.7519 64.0658 PRESSAVG: 1862000 -25.5526 31.8203 -17.4067 31.8203 -14.5321 35.0614 -17.4069 35.0615 -15.0565 GPRESSAVG: 1862000 -23.5359 29.2567 -17.1432 33.0175 -15.9263 35.9358 -14.4792 37.0898 -16.0075 TIMING: 1862000 CPU: 5398.6, 0.00291027/step Wall: 5398.6, 0.00291027/step, 2.53678 hours remaining, 209.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1862000 704.4933 2110.6009 1987.6316 94.3172 -206151.8673 17858.5760 0.0000 0.0000 34296.9153 -149099.3331 299.5235 -183396.2484 -149008.4220 298.9090 22.8351 50.5364 557047.3220 -18.3804 -18.4899 PRESSURE: 1862200 144.839 -73.7539 -6.74079 -73.7518 -115.269 124.946 -6.74069 124.944 -67.8572 GPRESSURE: 1862200 207.389 -88.6624 -29.6957 -11.6053 -80.3778 168.479 -20.8718 117.253 -59.9992 PRESSAVG: 1862200 40.6134 24.4438 54.2767 24.4437 -13.0452 25.7815 54.2766 25.7815 -15.8841 GPRESSAVG: 1862200 38.6146 26.275 55.2588 24.7063 -12.8253 27.0353 52.7485 24.2408 -14.6187 TIMING: 1862200 CPU: 5399.18, 0.00289613/step Wall: 5399.18, 0.00289613/step, 2.5243 hours remaining, 209.378906 MB of memory in use. ENERGY: 1862200 763.6889 2081.1622 1958.5704 98.0973 -206026.3771 17709.8114 0.0000 0.0000 34317.3969 -149097.6501 299.7024 -183415.0469 -149005.2754 299.7493 -12.7624 22.3372 557401.2554 3.8947 3.7235 PRESSURE: 1862400 -57.3417 -7.79273 -235.427 -7.79347 -224.731 -105.665 -235.428 -105.666 -178.333 GPRESSURE: 1862400 -45.2645 53.1417 -197.675 -72.1273 -207.837 -90.0244 -176.465 -163.099 -119.414 PRESSAVG: 1862400 61.6867 13.6555 -43.7778 13.6555 -26.1351 41.1262 -43.7779 41.1263 -64.275 GPRESSAVG: 1862400 62.8696 13.3344 -40.7444 12.0188 -26.8815 38.6076 -44.2678 41.7613 -64.567 TIMING: 1862400 CPU: 5399.76, 0.00290097/step Wall: 5399.76, 0.00290097/step, 2.52836 hours remaining, 209.378906 MB of memory in use. ENERGY: 1862400 774.9811 2135.5186 1973.7929 96.7372 -205791.4550 17616.1953 0.0000 0.0000 34291.1662 -148903.0637 299.4733 -183194.2299 -148808.2482 299.7743 -153.4687 -124.1720 559417.7841 -9.5745 -9.5263 PRESSURE: 1862600 11.8573 -32.074 -39.0457 -32.0752 -384.907 30.8709 -39.0459 30.8718 -88.5733 GPRESSURE: 1862600 58.3971 31.2517 -71.006 1.02629 -324.677 33.794 -108.565 51.9828 -93.2096 PRESSAVG: 1862600 44.1146 0.986134 4.19818 0.98618 -27.6332 15.2393 4.1982 15.2393 -9.84729 GPRESSAVG: 1862600 43.7715 0.663071 2.77501 2.26262 -26.9294 15.9116 3.95981 15.0288 -10.26 TIMING: 1862600 CPU: 5400.34, 0.00289701/step Wall: 5400.34, 0.00289701/step, 2.52474 hours remaining, 209.378906 MB of memory in use. ENERGY: 1862600 764.5367 2123.8971 1934.9653 105.6852 -205846.5469 17595.1744 0.0000 0.0000 34368.0381 -148954.2502 300.1446 -183322.2883 -148856.9581 300.5007 -153.8743 -119.8300 557537.2297 2.2114 2.1940 PRESSURE: 1862800 30.9243 -208.368 50.9448 -208.369 86.9347 94.8204 50.9461 94.819 189.702 GPRESSURE: 1862800 71.5685 -138.452 123.41 -119.38 85.3913 122.274 7.49491 11.862 240.979 PRESSAVG: 1862800 8.10614 -15.3708 28.553 -15.3708 -29.1307 -38.2603 28.5532 -38.2602 -12.3223 GPRESSAVG: 1862800 9.00011 -16.7937 27.7617 -14.6025 -30.755 -38.9018 27.5286 -38.4016 -12.1281 TIMING: 1862800 CPU: 5400.92, 0.002883/step Wall: 5400.92, 0.002883/step, 2.51238 hours remaining, 209.378906 MB of memory in use. ENERGY: 1862800 759.4125 2119.6303 1951.0024 118.9459 -206378.2815 18050.4441 0.0000 0.0000 34450.3582 -148928.4882 300.8635 -183378.8464 -148834.7970 299.7476 102.5205 132.6464 555843.6910 -11.1156 -11.2943 PRESSURE: 1863000 -47.2857 -14.21 118.443 -14.2119 -20.5218 -83.6774 118.443 -83.6782 -180.044 GPRESSURE: 1863000 -32.9461 12.598 101.868 -1.25358 -17.5262 -167.08 202.145 -108.346 -116.602 PRESSAVG: 1863000 25.7209 -40.1521 -33.5328 -40.1523 -13.994 -10.0946 -33.5328 -10.0946 -6.8031 GPRESSAVG: 1863000 24.1142 -40.9686 -32.185 -40.7671 -12.4386 -9.98607 -33.6645 -11.0528 -6.30079 TIMING: 1863000 CPU: 5401.5, 0.00289437/step Wall: 5401.5, 0.00289437/step, 2.52212 hours remaining, 209.378906 MB of memory in use. ENERGY: 1863000 751.9665 2062.5028 1980.3568 109.9071 -205557.4310 17590.5191 0.0000 0.0000 34173.6638 -148888.5149 298.4471 -183062.1787 -148797.6602 299.9923 -82.6171 -55.6916 559246.6754 1.6413 1.7916 PRESSURE: 1863200 256.634 264.216 -4.42304 264.215 54.3322 73.2648 -4.4227 73.266 -20.158 GPRESSURE: 1863200 272.001 224.072 -43.1966 189.236 47.2764 45.443 4.47219 -7.22796 58.951 PRESSAVG: 1863200 9.63065 71.2506 27.0967 71.2506 5.61638 3.62378 27.0967 3.62384 -21.7808 GPRESSAVG: 1863200 10.9014 71.8567 27.3091 71.174 5.61573 2.88816 27.3327 4.50908 -23.2363 TIMING: 1863200 CPU: 5402.08, 0.00289471/step Wall: 5402.08, 0.00289471/step, 2.52226 hours remaining, 209.378906 MB of memory in use. ENERGY: 1863200 715.2835 2083.5336 1952.0232 120.9324 -206038.9017 17975.1190 0.0000 0.0000 34229.2831 -148962.7270 298.9328 -183192.0101 -148862.8761 300.0759 96.9360 126.0760 558676.2509 -2.1779 -2.2397 PRESSURE: 1863400 79.2413 95.4531 142.89 95.4527 -55.5126 -3.94867 142.891 -3.94796 75.2537 GPRESSURE: 1863400 156.942 107.298 100.234 -12.0984 -89.3555 -0.1158 180.228 -30.1783 118.673 PRESSAVG: 1863400 -25.4067 3.42225 27.4426 3.42231 -53.6465 4.27422 27.4427 4.27419 76.3302 GPRESSAVG: 1863400 -26.157 4.64794 26.809 1.46104 -53.5918 6.40086 29.5984 4.71599 76.9885 TIMING: 1863400 CPU: 5402.65, 0.00288667/step Wall: 5402.65, 0.00288667/step, 2.51509 hours remaining, 209.378906 MB of memory in use. ENERGY: 1863400 722.1495 2071.9605 1926.0350 103.7290 -206074.4202 17881.9619 0.0000 0.0000 34271.1701 -149097.4141 299.2987 -183368.5842 -149003.1114 300.4189 32.9941 62.0865 559475.7938 -0.9077 -0.9201 PRESSURE: 1863600 -63.2336 97.8386 56.5918 97.8394 86.1628 88.571 56.5921 88.5711 107.099 GPRESSURE: 1863600 -9.5536 118.392 57.095 86.0673 139.496 109.616 -56.1098 42.4537 101.532 PRESSAVG: 1863600 -1.78196 -22.9829 0.810444 -22.9828 16.7902 25.2772 0.810361 25.2773 -6.85627 GPRESSAVG: 1863600 -1.6339 -23.3127 0.920051 -19.303 16.6446 24.1188 -0.349867 25.055 -6.88086 TIMING: 1863600 CPU: 5403.23, 0.00287048/step Wall: 5403.23, 0.00287048/step, 2.50082 hours remaining, 209.378906 MB of memory in use. ENERGY: 1863600 737.6338 2013.4956 1932.4138 117.6810 -206351.6216 17843.8340 0.0000 0.0000 34553.7976 -149152.7659 301.7669 -183706.5635 -149044.7776 299.7444 43.3429 77.1580 557631.7372 2.7173 2.7100 PRESSURE: 1863800 -183.992 84.7897 -24.4392 84.7895 -74.8285 81.9889 -24.4389 81.9889 -152.274 GPRESSURE: 1863800 -138.651 19.215 3.92803 20.6846 -83.3499 17.0142 22.7347 84.0784 -92.2504 PRESSAVG: 1863800 -19.5653 47.4026 -30.7177 47.4026 81.0359 24.52 -30.7176 24.52 -56.0384 GPRESSAVG: 1863800 -20.1292 45.2695 -31.7797 45.4475 80.9626 24.5873 -28.9873 24.8009 -55.5336 TIMING: 1863800 CPU: 5403.8, 0.00288656/step Wall: 5403.8, 0.00288656/step, 2.51468 hours remaining, 209.378906 MB of memory in use. ENERGY: 1863800 721.9908 2129.4841 1906.5833 113.2854 -205714.6214 17647.7286 0.0000 0.0000 34037.1547 -149158.3945 297.2549 -183195.5492 -149061.2481 299.4162 -137.0316 -104.7505 559246.6226 1.8107 1.7666 PRESSURE: 1864000 -123.111 1.87892 19.0299 1.88061 36.8638 -180.792 19.0286 -180.792 -192.767 GPRESSURE: 1864000 -124.305 29.0747 22.6039 -19.9052 112.263 -183.94 -71.7161 -117.815 -162.758 PRESSAVG: 1864000 -17.5948 28.155 -44.0513 28.155 20.3242 16.3479 -44.0512 16.3478 26.3282 GPRESSAVG: 1864000 -16.8901 28.5009 -42.6522 29.8019 20.2062 16.7898 -46.3975 15.7572 25.131 TIMING: 1864000 CPU: 5404.38, 0.00287039/step Wall: 5404.38, 0.0028704/step, 2.50043 hours remaining, 209.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1864000 745.5844 2114.1422 1958.5012 120.7725 -205968.0690 17814.7630 0.0000 0.0000 34040.5734 -149173.7323 297.2848 -183214.3056 -149081.4004 298.7847 -93.0049 -58.2668 558879.5155 9.6858 9.4824 PRESSURE: 1864200 115.705 76.0922 -108.223 76.0926 45.1498 80.6866 -108.221 80.687 234.702 GPRESSURE: 1864200 147.189 -28.9402 -163.946 159.467 65.3367 89.6578 -40.5676 60.8868 265.781 PRESSAVG: 1864200 42.4594 43.0324 9.14127 43.0323 44.2082 18.6221 9.14117 18.6221 -59.73 GPRESSAVG: 1864200 42.9188 45.4505 7.66364 39.344 44.0446 20.6823 10.2852 16.5798 -60.0961 TIMING: 1864200 CPU: 5404.95, 0.002874/step Wall: 5404.95, 0.002874/step, 2.50341 hours remaining, 209.378906 MB of memory in use. ENERGY: 1864200 746.0946 2093.7784 1934.3755 113.8064 -206161.1353 17932.3301 0.0000 0.0000 34269.9625 -149070.7877 299.2881 -183340.7502 -148975.0368 298.3829 131.8522 159.4358 557691.5984 8.9792 8.9557 LDB: ============= START OF LOAD BALANCING ============== 5408.34 LDB: ============== END OF LOAD BALANCING =============== 5408.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5408.34 LDB: ============= START OF LOAD BALANCING ============== 5408.62 LDB: Largest compute 4820 load 0.023486 is 19.9% of average load 0.118111 LDB: Average compute 0.001719 is 1.5% of average load 0.118111 LDB: TIME 5408.63 LOAD: AVG 0.118111 MAX 0.184065 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.547 MB LDB: TIME 5408.63 LOAD: AVG 0.118111 MAX 0.184065 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: TIME 5408.63 LOAD: AVG 0.118111 MAX 0.184065 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: ============== END OF LOAD BALANCING =============== 5408.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5408.63 PRESSURE: 1864400 -99.4477 58.0666 -16.2637 58.0679 118.282 -165.832 -16.2647 -165.832 237.763 GPRESSURE: 1864400 -81.5671 -42.1015 49.4273 106.986 200.664 -164.176 -4.45934 -90.4735 229.62 PRESSAVG: 1864400 -30.4202 45.0194 15.1351 45.0195 -14.1336 -22.469 15.1351 -22.4691 27.3987 GPRESSAVG: 1864400 -31.9847 43.8386 16.3793 47.5459 -14.1576 -22.9297 15.203 -22.4441 28.5455 TIMING: 1864400 CPU: 5405.54, 0.00292255/step Wall: 5405.54, 0.00292255/step, 2.54555 hours remaining, 210.085938 MB of memory in use. ENERGY: 1864400 709.6830 2076.6578 1965.6804 111.1258 -206116.2825 17788.9901 0.0000 0.0000 34193.8657 -149270.2798 298.6235 -183464.1455 -149170.3671 299.1404 85.5323 116.2390 557391.7454 -5.7184 -5.8656 PRESSURE: 1864600 60.4198 89.8053 106.296 89.8043 1.74161 -39.5897 106.297 -39.5887 46.1942 GPRESSURE: 1864600 77.2671 68.8284 127.311 37.6152 54.6444 -48.184 38.154 18.5792 74.3524 PRESSAVG: 1864600 6.04232 27.4234 5.67441 27.4233 22.1328 25.2567 5.67449 25.2565 -4.3687 GPRESSAVG: 1864600 5.82252 29.1101 5.74782 25.0742 22.2586 23.2666 6.68228 26.4423 -4.58617 TIMING: 1864600 CPU: 5406.12, 0.00290497/step Wall: 5406.12, 0.00290497/step, 2.53007 hours remaining, 210.285156 MB of memory in use. ENERGY: 1864600 743.0801 2085.7811 1968.5841 124.5281 -206297.8150 17923.7820 0.0000 0.0000 34236.0184 -149216.0412 298.9917 -183452.0596 -149119.1010 299.0721 36.1185 68.7547 555715.1224 7.9355 7.8316 PRESSURE: 1864800 -148.606 -145.469 191.963 -145.468 -157.766 116.541 191.962 116.541 35.6029 GPRESSURE: 1864800 -144.387 -29.3555 162.242 -230.822 -108.931 87.3218 245.024 124.106 69.0508 PRESSAVG: 1864800 -12.8573 -13.2398 39.2051 -13.2399 21.6888 -34.1215 39.205 -34.1215 9.91426 GPRESSAVG: 1864800 -11.5551 -14.8966 39.2796 -11.7501 21.1521 -34.0141 39.2956 -34.0843 9.19382 TIMING: 1864800 CPU: 5406.7, 0.00288772/step Wall: 5406.7, 0.00288772/step, 2.51489 hours remaining, 210.285156 MB of memory in use. ENERGY: 1864800 756.5665 2117.7336 1946.5593 107.9625 -206218.7106 17711.0256 0.0000 0.0000 34306.9840 -149271.8792 299.6114 -183578.8632 -149180.7201 299.5855 -90.2561 -61.4226 557601.0556 6.2486 6.2636 PRESSURE: 1865000 145.617 33.8823 -202.32 33.8816 -50.2444 59.5894 -202.319 59.5887 133.159 GPRESSURE: 1865000 221.106 58.7095 -55.6777 77.5047 -55.8747 64.6928 -165.852 40.8441 166.436 PRESSAVG: 1865000 68.6724 38.2057 -2.324 38.2057 -60.8765 4.05076 -2.32399 4.05077 -24.077 GPRESSAVG: 1865000 67.3486 37.7781 -4.15204 37.7778 -59.828 3.59959 -2.54018 4.74737 -23.6601 TIMING: 1865000 CPU: 5407.28, 0.00289753/step Wall: 5407.28, 0.00289753/step, 2.52326 hours remaining, 210.285156 MB of memory in use. ENERGY: 1865000 737.3427 2054.8697 1951.4045 100.6711 -206198.5441 17898.9009 0.0000 0.0000 34333.8925 -149121.4627 299.8464 -183455.3552 -149028.6287 300.3622 76.1771 110.5556 557644.4158 -5.4270 -5.3798 PRESSURE: 1865200 92.6875 -78.3686 39.3719 -78.3692 355.462 168.361 39.3713 168.361 37.309 GPRESSURE: 1865200 116.499 -80.1949 -45.3527 -148.235 379.472 126.883 -24.5796 141.798 86.0568 PRESSAVG: 1865200 26.3179 -23.631 9.2973 -23.6309 56.8307 41.099 9.29727 41.099 -97.3919 GPRESSAVG: 1865200 26.1363 -23.5672 8.60239 -23.8822 56.4342 42.7928 10.3085 41.7886 -97.0287 TIMING: 1865200 CPU: 5407.86, 0.00289877/step Wall: 5407.86, 0.00289877/step, 2.52419 hours remaining, 210.285156 MB of memory in use. ENERGY: 1865200 748.8048 2149.8207 1974.4819 114.6659 -206288.4353 17942.8832 0.0000 0.0000 34063.0218 -149294.7570 297.4808 -183357.7789 -149202.6105 299.1835 161.8195 194.0093 557368.0543 -4.7477 -4.8194 PRESSURE: 1865400 -343.265 322.185 -110.072 322.185 -115.951 269.188 -110.072 269.189 11.9399 GPRESSURE: 1865400 -272.497 268.263 -93.0047 342.577 -45.1418 295.231 -68.3297 221.905 -29.0605 PRESSAVG: 1865400 12.1552 39.4017 39.5452 39.4018 -5.19059 58.5416 39.5452 58.5417 -17.4822 GPRESSAVG: 1865400 14.4189 38.8503 41.9418 39.5427 -6.34084 58.411 38.0215 59.0442 -19.1493 TIMING: 1865400 CPU: 5408.44, 0.0028979/step Wall: 5408.44, 0.0028979/step, 2.52327 hours remaining, 210.285156 MB of memory in use. ENERGY: 1865400 766.4270 2103.5695 1974.8612 112.8191 -206127.6856 17596.6286 0.0000 0.0000 34306.9293 -149266.4509 299.6109 -183573.3802 -149170.1389 299.4336 -149.0919 -115.5663 557706.5046 -3.5058 -3.6904 PRESSURE: 1865600 37.2624 133.554 -120.282 133.553 -57.702 42.9799 -120.283 42.9805 -115.146 GPRESSURE: 1865600 40.0696 122.431 -30.4401 124.677 36.6314 0.768453 -181.155 77.479 -114.475 PRESSAVG: 1865600 27.089 60.9979 49.0882 60.9979 -28.7355 90.6012 49.0882 90.6013 -5.32619 GPRESSAVG: 1865600 25.4391 61.6417 46.7678 60.2052 -27.6633 89.791 50.9998 90.9192 -4.88361 TIMING: 1865600 CPU: 5409.02, 0.00292187/step Wall: 5409.02, 0.00292187/step, 2.54398 hours remaining, 210.285156 MB of memory in use. ENERGY: 1865600 735.9314 2095.9038 1961.5615 101.2103 -206082.8612 17746.3281 0.0000 0.0000 34255.7579 -149186.1683 299.1641 -183441.9261 -149091.3245 298.9742 -45.1953 -12.5913 555788.2988 -2.3242 -2.3693 PRESSURE: 1865800 -101.388 166.334 -77.1013 166.334 -51.4934 -103.697 -77.1004 -103.696 131.188 GPRESSURE: 1865800 -91.9493 188.859 -30.5616 162.928 8.71559 -43.1789 -110.295 -93.2421 158.695 PRESSAVG: 1865800 12.6355 9.46413 9.45822 9.46423 -31.521 73.8764 9.45829 73.8764 3.83058 GPRESSAVG: 1865800 11.4234 11.0128 11.3312 8.10592 -29.276 72.5631 7.69931 72.8469 3.1655 TIMING: 1865800 CPU: 5409.6, 0.00290714/step Wall: 5409.6, 0.00290714/step, 2.53099 hours remaining, 210.582031 MB of memory in use. ENERGY: 1865800 745.4649 2041.5232 1966.7845 115.7098 -205867.4390 17825.5332 0.0000 0.0000 34248.7351 -148923.6883 299.1027 -183172.4234 -148830.4148 299.9417 -7.2311 25.1537 557885.5333 -5.0183 -4.8957 PRESSURE: 1866000 69.9079 113.151 -105.507 113.15 187.091 84.0047 -105.51 84.0052 -293.588 GPRESSURE: 1866000 81.4482 109.05 -162.438 165.488 223.022 73.5129 -63.5129 174.345 -259.597 PRESSAVG: 1866000 -63.0593 18.3065 29.6148 18.3065 0.920296 56.5714 29.6147 56.5715 22.9012 GPRESSAVG: 1866000 -63.2878 17.7672 30.0562 21.7282 -0.324119 58.7175 27.7843 55.8185 24.4398 TIMING: 1866000 CPU: 5410.18, 0.00291266/step Wall: 5410.18, 0.00291266/step, 2.53563 hours remaining, 210.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1866000 759.5698 2062.1837 1953.9542 109.9243 -206267.2416 17880.4317 0.0000 0.0000 34534.0081 -148967.1698 301.5941 -183501.1779 -148863.0772 299.5063 -12.1966 14.9576 558563.2460 -13.0793 -13.0574 PRESSURE: 1866200 168.099 37.6601 -214.708 37.6607 -39.1535 57.6353 -214.708 57.6343 162.235 GPRESSURE: 1866200 217.951 131.375 -206.73 -1.14194 -29.7945 5.04084 -201.025 36.5769 188.689 PRESSAVG: 1866200 -25.8467 -17.3834 -12.5197 -17.3834 40.6288 -6.08808 -12.5197 -6.088 0.397432 GPRESSAVG: 1866200 -24.7402 -16.8786 -13.6865 -18.9825 39.2579 -5.27238 -10.7158 -5.94837 0.661039 TIMING: 1866200 CPU: 5410.77, 0.00293808/step Wall: 5410.77, 0.00293808/step, 2.5576 hours remaining, 210.582031 MB of memory in use. ENERGY: 1866200 770.1689 2069.7329 1937.5146 106.0972 -206185.7106 18017.6630 0.0000 0.0000 34363.8410 -148920.6930 300.1080 -183284.5339 -148827.2379 299.7974 97.0603 125.6152 558756.8262 5.0598 5.0596 PRESSURE: 1866400 138.858 -41.9364 -264.271 -41.9352 -139.819 -28.0037 -264.272 -28.0026 -45.605 GPRESSURE: 1866400 162.273 2.78319 -220.383 -79.8573 -109.005 67.9685 -276.211 -106.755 -17.6364 PRESSAVG: 1866400 -16.2641 -12.2491 -35.1823 -12.2491 1.31679 19.0367 -35.1822 19.0366 -44.7022 GPRESSAVG: 1866400 -16.4379 -13.532 -34.7669 -13.188 2.42835 19.4957 -35.2663 18.8667 -45.8262 TIMING: 1866400 CPU: 5411.36, 0.00293592/step Wall: 5411.36, 0.00293592/step, 2.55556 hours remaining, 210.582031 MB of memory in use. ENERGY: 1866400 753.7910 2004.4668 1983.5796 96.9021 -205662.2142 17755.5275 0.0000 0.0000 34068.7118 -148999.2353 297.5305 -183067.9471 -148901.3054 299.9859 -15.5221 11.8774 559970.4550 -19.8832 -19.9453 PRESSURE: 1866600 -271.728 131.178 -40.9171 131.175 -358.704 -24.2038 -40.918 -24.2048 -50.7818 GPRESSURE: 1866600 -234.246 112.468 -0.144908 103.006 -344.351 73.5041 -73.3865 -84.6634 -7.38035 PRESSAVG: 1866600 -12.0324 -27.5444 -7.85601 -27.5444 -31.6076 21.2241 -7.85603 21.224 42.0011 GPRESSAVG: 1866600 -12.2358 -28.0486 -8.06263 -28.7234 -32.6899 20.4594 -8.07851 20.4509 43.1307 TIMING: 1866600 CPU: 5411.94, 0.00292407/step Wall: 5411.94, 0.00292407/step, 2.54508 hours remaining, 210.660156 MB of memory in use. ENERGY: 1866600 757.4780 2061.9238 1951.8211 113.7471 -205821.4548 17565.1871 0.0000 0.0000 34299.4395 -149071.8581 299.5455 -183371.2976 -148980.6597 300.0688 -227.0711 -195.3258 559773.9180 -0.5463 -0.5983 PRESSURE: 1866800 80.0716 121.401 104.625 121.401 156.867 124.837 104.626 124.837 -43.2755 GPRESSURE: 1866800 84.949 69.4133 45.8124 150.988 195.605 134.416 72.5647 136.11 17.9069 PRESSAVG: 1866800 -57.2348 -5.73905 -28.6155 -5.73904 -27.5314 -49.5591 -28.6154 -49.559 0.498747 GPRESSAVG: 1866800 -56.7686 -8.68561 -28.1659 -1.79407 -27.2833 -48.7707 -27.8557 -47.6444 0.297003 TIMING: 1866800 CPU: 5412.53, 0.0029157/step Wall: 5412.53, 0.0029157/step, 2.53763 hours remaining, 210.660156 MB of memory in use. ENERGY: 1866800 759.4532 2080.8660 1952.3551 117.8850 -206038.1599 17785.0022 0.0000 0.0000 34264.1703 -149078.4283 299.2375 -183342.5986 -148992.4906 299.2050 64.5542 99.4871 556549.1065 -28.0891 -27.9183 PRESSURE: 1867000 33.255 96.4465 -6.04659 96.4468 51.9712 -36.834 -6.04741 -36.834 -220.528 GPRESSURE: 1867000 45.089 85.3691 21.2315 52.0024 73.1779 -28.2459 -93.5851 17.0902 -155.633 PRESSAVG: 1867000 -72.9802 9.70494 -38.3877 9.70487 55.8055 -53.0789 -38.3879 -53.0788 13.8657 GPRESSAVG: 1867000 -73.4865 14.2347 -40.0251 6.68035 55.8869 -54.8919 -39.3684 -53.5021 13.5034 TIMING: 1867000 CPU: 5413.11, 0.00291133/step Wall: 5413.11, 0.00291133/step, 2.53367 hours remaining, 210.660156 MB of memory in use. ENERGY: 1867000 750.4327 2040.4973 1964.9475 108.6185 -206018.2743 17705.1490 0.0000 0.0000 34384.3760 -149064.2533 300.2873 -183448.6293 -148965.4995 299.7911 -45.1007 -12.4554 556094.8550 -1.1030 -1.3654 PRESSURE: 1867200 -75.6745 -117.232 277.23 -117.232 -276.415 -45.0156 277.23 -45.0155 -34.0311 GPRESSURE: 1867200 -44.5188 -121.174 231.493 -81.4791 -205.138 -54.1354 282.593 3.0783 -33.2574 PRESSAVG: 1867200 8.28914 -20.7053 35.6696 -20.7053 -8.45266 -43.7892 35.6696 -43.7892 -34.3303 GPRESSAVG: 1867200 9.0651 -20.0714 36.4885 -21.6732 -9.4515 -42.73 35.7171 -44.8189 -34.5412 TIMING: 1867200 CPU: 5413.69, 0.00290259/step Wall: 5413.69, 0.00290259/step, 2.5259 hours remaining, 210.660156 MB of memory in use. ENERGY: 1867200 746.1554 2097.7540 1955.2060 104.1463 -206142.8823 17644.9644 0.0000 0.0000 34394.8449 -149199.8112 300.3787 -183594.6562 -149097.1276 299.2982 -128.7068 -94.3046 556666.9112 -11.4979 -11.6425 PRESSURE: 1867400 146.997 92.7909 -98.8612 92.7914 -116.655 11.3144 -98.862 11.3123 13.2479 GPRESSURE: 1867400 210.727 108.123 -170.857 84.3603 -147.819 9.19136 42.4796 4.33784 87.1861 PRESSAVG: 1867400 -5.92843 -30.4577 22.1113 -30.4576 -11.2069 9.24394 22.1113 9.24379 -18.4394 GPRESSAVG: 1867400 -6.62757 -31.2826 21.4087 -29.8227 -10.1191 11.7489 24.6826 8.22601 -18.6873 TIMING: 1867400 CPU: 5414.27, 0.00290959/step Wall: 5414.27, 0.00290959/step, 2.53183 hours remaining, 210.660156 MB of memory in use. ENERGY: 1867400 724.0631 2082.5151 1939.3828 108.5986 -205688.5739 17706.9781 0.0000 0.0000 34040.6416 -149086.3946 297.2854 -183127.0362 -148993.6022 299.0621 14.5300 50.0312 556251.0843 -11.8582 -11.8113 PRESSURE: 1867600 -28.5367 53.353 -85.6611 53.3531 45.5344 192.181 -85.6605 192.181 -105.146 GPRESSURE: 1867600 11.8207 62.7804 0.249352 60.5571 66.6568 172.377 -98.6669 212.543 -69.7304 PRESSAVG: 1867600 19.0416 13.0129 11.0701 13.0129 -1.59791 -22.9323 11.0702 -22.9323 20.9446 GPRESSAVG: 1867600 19.2953 12.024 12.7949 13.7653 -1.44488 -25.5178 8.76686 -21.8849 20.619 TIMING: 1867600 CPU: 5414.86, 0.00292417/step Wall: 5414.86, 0.00292417/step, 2.54436 hours remaining, 210.660156 MB of memory in use. ENERGY: 1867600 751.5445 2025.6157 1957.1891 112.9697 -206054.9882 17761.8100 0.0000 0.0000 34424.3500 -149021.5092 300.6364 -183445.8592 -148936.2262 299.3553 -29.3829 2.9157 558076.8678 12.7961 12.8231 PRESSURE: 1867800 -10.6523 80.3056 -78.0804 80.3048 42.8238 -50.1587 -78.0812 -50.1595 124.282 GPRESSURE: 1867800 19.5497 83.1248 -28.9714 89.8431 98.1294 -54.1685 -65.8275 -13.0013 133.807 PRESSAVG: 1867800 23.0899 -35.3256 -26.45 -35.3256 -35.2925 33.6943 -26.4501 33.6943 37.1352 GPRESSAVG: 1867800 22.2586 -35.7384 -26.9545 -37.5591 -35.1576 33.9972 -25.4537 35.0967 37.5992 TIMING: 1867800 CPU: 5415.44, 0.0029109/step Wall: 5415.44, 0.0029109/step, 2.53264 hours remaining, 210.660156 MB of memory in use. ENERGY: 1867800 720.0145 2074.7203 1944.7543 104.4563 -206206.3003 17810.2947 0.0000 0.0000 34497.6821 -149054.3782 301.2768 -183552.0602 -148944.9279 300.3304 52.1513 83.8288 557247.4113 8.3109 8.2334 PRESSURE: 1868000 -114.503 106.866 95.3845 106.865 -85.6621 -5.65038 95.3847 -5.64995 107.706 GPRESSURE: 1868000 -70.8511 116.631 107.665 58.31 2.6719 -13.6135 187.244 11.5497 93.4489 PRESSAVG: 1868000 63.213 16.0526 12.1063 16.0526 -37.3662 16.1337 12.1065 16.1336 -57.5316 GPRESSAVG: 1868000 63.401 16.5548 10.8057 17.499 -37.7945 15.9729 11.1456 15.7014 -57.3532 TIMING: 1868000 CPU: 5416.02, 0.00293449/step Wall: 5416.02, 0.00293449/step, 2.55301 hours remaining, 210.660156 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: 1868000 716.9820 2142.8182 1953.2411 125.5900 -206209.3303 17928.9174 0.0000 0.0000 34524.9297 -148816.8520 301.5148 -183341.7817 -148714.1238 299.7386 -30.8196 8.4232 558887.5715 -10.5616 -10.5823 PRESSURE: 1868200 5.92367 103.34 147.484 103.339 97.9505 176.701 147.484 176.701 46.1314 GPRESSURE: 1868200 18.0383 47.4358 160.818 160.631 149.637 157.573 122.958 197.825 65.9705 PRESSAVG: 1868200 37.3472 16.75 87.7329 16.75 18.1173 38.4063 87.7329 38.4062 20.3264 GPRESSAVG: 1868200 38.3408 17.0149 88.7134 16.0704 17.761 36.0162 86.9479 37.2813 19.5853 TIMING: 1868200 CPU: 5416.61, 0.00291616/step Wall: 5416.61, 0.00291616/step, 2.5369 hours remaining, 210.660156 MB of memory in use. ENERGY: 1868200 765.2053 2084.6366 1967.2804 119.8065 -205652.9774 17639.9413 0.0000 0.0000 34222.9320 -148853.1754 298.8774 -183076.1074 -148763.1354 300.9468 50.0019 77.8820 557877.2870 25.2636 25.2290 LDB: ============= START OF LOAD BALANCING ============== 5419.99 LDB: ============== END OF LOAD BALANCING =============== 5419.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5420 LDB: ============= START OF LOAD BALANCING ============== 5420.29 LDB: Largest compute 4820 load 0.023320 is 19.8% of average load 0.117968 LDB: Average compute 0.001727 is 1.5% of average load 0.117968 LDB: TIME 5420.29 LOAD: AVG 0.117968 MAX 0.181939 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 5420.29 LOAD: AVG 0.117968 MAX 0.181939 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.301 MB LDB: TIME 5420.29 LOAD: AVG 0.117968 MAX 0.181939 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5420.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5420.29 PRESSURE: 1868400 -46.3808 2.84808 -54.0218 2.84919 -12.5294 -85.799 -54.0212 -85.7977 41.9649 GPRESSURE: 1868400 -33.64 88.881 -59.6982 0.234679 37.788 -83.299 -31.7908 -76.4813 88.515 PRESSAVG: 1868400 -9.19156 -18.1422 47.4385 -18.1423 48.7824 12.442 47.4385 12.442 -68.3805 GPRESSAVG: 1868400 -9.61259 -18.4683 46.8733 -17.4955 48.5382 13.6148 49.1386 14.8187 -67.9149 TIMING: 1868400 CPU: 5417.2, 0.00295597/step Wall: 5417.2, 0.00295597/step, 2.57136 hours remaining, 209.058594 MB of memory in use. ENERGY: 1868400 730.1543 2067.7142 1955.3271 116.9554 -205773.6647 17694.6976 0.0000 0.0000 34243.7373 -148965.0788 299.0591 -183208.8161 -148868.6138 300.2192 -5.6484 30.8876 558006.5712 -9.5965 -9.6631 PRESSURE: 1868600 -78.6506 -132.576 100.75 -132.576 -86.6473 191.832 100.75 191.831 -406.098 GPRESSURE: 1868600 -44.4202 -166.614 55.5159 -116.156 -58.766 243.539 113.715 214.25 -366.841 PRESSAVG: 1868600 70.746 -80.5192 88.2326 -80.5192 17.4913 10.1656 88.2326 10.1656 -45.3042 GPRESSAVG: 1868600 70.7918 -79.7515 87.3775 -79.8647 18.479 11.0576 88.1256 9.19249 -45.9896 TIMING: 1868600 CPU: 5417.77, 0.00286859/step Wall: 5417.77, 0.00286859/step, 2.4952 hours remaining, 209.058594 MB of memory in use. ENERGY: 1868600 759.9483 2094.8652 1948.8946 107.4056 -205924.5542 17574.9276 0.0000 0.0000 34452.5384 -148985.9745 300.8826 -183438.5129 -148887.2374 300.2949 -190.4654 -156.6758 557649.3326 14.3110 14.4271 PRESSURE: 1868800 -208.331 -21.3585 110.148 -21.3583 -92.786 -108.253 110.147 -108.254 54.7042 GPRESSURE: 1868800 -170.838 -29.2861 57.5727 22.1562 -63.4274 51.4201 171.658 -133.955 82.2407 PRESSAVG: 1868800 18.4274 -0.288755 16.1041 -0.2887 15.9317 -18.191 16.104 -18.1911 -2.61908 GPRESSAVG: 1868800 18.6652 -1.22568 17.0328 -0.382179 15.481 -17.9366 17.4495 -18.4246 -2.27326 TIMING: 1868800 CPU: 5418.35, 0.00286921/step Wall: 5418.35, 0.00286921/step, 2.49557 hours remaining, 209.058594 MB of memory in use. ENERGY: 1868800 737.0968 2070.3950 1949.5844 110.3769 -205880.5852 17567.7207 0.0000 0.0000 34273.7035 -149171.7079 299.3208 -183445.4114 -149073.7913 299.6184 -82.1377 -50.6750 558722.6311 10.5800 10.6243 PRESSURE: 1869000 -143.246 100.33 116.805 100.33 -86.8447 67.4312 116.806 67.4321 -99.5609 GPRESSURE: 1869000 -129.317 184.943 83.4246 105.948 -62.157 33.2812 146.47 122.965 -36.0208 PRESSAVG: 1869000 -26.4378 41.2625 -4.50051 41.2624 5.50795 19.4192 -4.50055 19.4192 -9.03409 GPRESSAVG: 1869000 -26.0943 40.9196 -5.23098 41.9394 4.85799 18.3904 -4.26416 19.9508 -9.0242 TIMING: 1869000 CPU: 5418.92, 0.00288265/step Wall: 5418.92, 0.00288265/step, 2.50711 hours remaining, 209.070312 MB of memory in use. ENERGY: 1869000 731.7345 2080.6946 1961.2615 126.4210 -206311.8203 17841.7417 0.0000 0.0000 34243.6884 -149326.2786 299.0586 -183569.9670 -149222.9774 299.3770 -109.8840 -75.8315 558422.6949 -9.9880 -10.0868 PRESSURE: 1869200 -224.153 47.6832 -30.0198 47.6829 -59.6546 22.2585 -30.0191 22.2584 111.414 GPRESSURE: 1869200 -149.448 120.185 -20.6824 59.687 -15.8466 45.6463 -108.737 82.2504 89.0613 PRESSAVG: 1869200 43.8323 48.9991 3.32556 48.9992 -17.1297 21.4303 3.32554 21.4302 -32.2455 GPRESSAVG: 1869200 43.863 49.6773 3.75924 48.937 -16.4472 20.8663 1.38889 20.3624 -33.0865 TIMING: 1869200 CPU: 5419.5, 0.0028882/step Wall: 5419.5, 0.0028882/step, 2.51177 hours remaining, 209.070312 MB of memory in use. ENERGY: 1869200 697.2629 2107.5371 1941.5055 97.6050 -206157.3712 17726.2798 0.0000 0.0000 34136.0513 -149451.1296 298.1186 -183587.1809 -149352.2189 298.9552 -57.4647 -25.4111 556965.1820 -1.8476 -1.8902 PRESSURE: 1869400 -276.949 -46.0033 6.17337 -46.0046 -46.7072 -44.5134 6.17483 -44.5138 202.011 GPRESSURE: 1869400 -243.665 -70.1436 85.8398 21.3725 -101.693 -55.2655 0.0312127 -20.5376 314.177 PRESSAVG: 1869400 0.836339 -19.5112 -9.13734 -19.5112 17.8588 -36.0752 -9.13729 -36.0752 2.58873 GPRESSAVG: 1869400 0.932028 -19.2213 -11.146 -19.2222 17.198 -34.4775 -6.6788 -36.8949 3.53317 TIMING: 1869400 CPU: 5420.07, 0.00286814/step Wall: 5420.07, 0.00286814/step, 2.49416 hours remaining, 209.070312 MB of memory in use. ENERGY: 1869400 720.8265 2117.8092 1951.2707 122.4126 -206011.1173 17690.2217 0.0000 0.0000 33999.0166 -149409.5600 296.9219 -183408.5766 -149312.4651 298.6288 -40.5486 -10.3938 556101.6957 7.0946 7.2211 PRESSURE: 1869600 102.884 86.0987 7.57698 86.098 129.211 93.9438 7.57688 93.9466 -78.3738 GPRESSURE: 1869600 44.831 156.705 -60.7248 -5.07504 190.737 78.8986 -5.2379 73.545 11.8503 PRESSAVG: 1869600 -50.0422 -3.63806 33.7159 -3.63798 48.2799 -29.4701 33.7158 -29.47 -32.9974 GPRESSAVG: 1869600 -49.5085 -2.8519 34.4817 -3.99076 49.2044 -30.8537 30.354 -29.021 -34.2201 TIMING: 1869600 CPU: 5420.65, 0.00288629/step Wall: 5420.65, 0.00288629/step, 2.50979 hours remaining, 209.070312 MB of memory in use. ENERGY: 1869600 686.9190 2073.5725 1954.6807 113.4400 -206275.8121 17888.8857 0.0000 0.0000 34223.2179 -149335.0964 298.8799 -183558.3142 -149235.8790 298.0872 51.2405 82.4729 557210.5557 -11.5866 -11.5081 PRESSURE: 1869800 19.4276 -96.7595 -83.8402 -96.7596 224.758 -81.794 -83.8406 -81.7957 113.921 GPRESSURE: 1869800 104.769 -93.8827 -55.3842 -128.116 252.072 -12.9094 -51.2674 -85.546 111.378 PRESSAVG: 1869800 -58.1282 -42.4202 -14.6985 -42.4203 27.9163 23.8902 -14.6985 23.8901 28.6322 GPRESSAVG: 1869800 -59.3485 -43.5317 -13.4488 -42.5725 27.7331 23.5245 -13.8608 25.1335 30.0212 TIMING: 1869800 CPU: 5421.23, 0.00289007/step Wall: 5421.23, 0.00289007/step, 2.51291 hours remaining, 209.070312 MB of memory in use. ENERGY: 1869800 755.2286 2037.0172 1951.9174 111.2931 -206390.8405 18092.0440 0.0000 0.0000 34146.3473 -149296.9928 298.2085 -183443.3401 -149209.2318 298.1026 119.3687 156.0731 557870.9277 -0.5265 -0.5314 PRESSURE: 1870000 331.923 198.859 -91.4541 198.859 213.533 42.5707 -91.4543 42.5721 227.179 GPRESSURE: 1870000 393.912 237.528 -96.3286 200.159 165.965 11.9708 -64.4354 121.739 310.153 PRESSAVG: 1870000 44.4323 -14.8916 -70.2735 -14.8915 -10.842 -84.262 -70.2735 -84.262 1.08605 GPRESSAVG: 1870000 44.6268 -13.8063 -70.6746 -16.6085 -9.52203 -82.632 -68.691 -85.7863 -0.338849 TIMING: 1870000 CPU: 5421.81, 0.00288034/step Wall: 5421.81, 0.00288034/step, 2.5043 hours remaining, 209.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1870000 716.6261 2093.7995 1964.0844 108.4132 -206384.8241 17985.6246 0.0000 0.0000 34244.1020 -149272.1741 299.0623 -183516.2762 -149170.8980 298.8549 257.5451 290.0100 556482.2287 11.5588 11.5886 PRESSURE: 1870200 41.6169 104.238 26.8869 104.237 360.144 -45.6312 26.8858 -45.6326 55.9511 GPRESSURE: 1870200 65.6573 69.2096 18.4999 86.0306 398.829 -57.7745 -36.3231 -44.9195 81.5185 PRESSAVG: 1870200 -25.6453 38.6998 -4.02838 38.6998 11.4709 18.4958 -4.02836 18.4959 -10.459 GPRESSAVG: 1870200 -26.6731 37.0184 -1.87657 39.4938 10.186 18.2651 -6.11397 18.7325 -8.16749 TIMING: 1870200 CPU: 5422.38, 0.00289319/step Wall: 5422.38, 0.00289319/step, 2.51531 hours remaining, 209.070312 MB of memory in use. ENERGY: 1870200 755.6611 2121.5354 1955.4509 104.2669 -206375.3865 18059.4587 0.0000 0.0000 34140.2965 -149238.7169 298.1557 -183379.0135 -149149.0988 299.0511 152.5705 182.0016 556872.0333 -8.2111 -8.2182 PRESSURE: 1870400 5.92418 -20.3002 -0.188788 -20.3007 133.155 -125.2 -0.189087 -125.199 245.907 GPRESSURE: 1870400 34.4817 -102.586 -2.06258 19.4785 188.689 -59.5296 -33.888 -154.21 253.154 PRESSAVG: 1870400 25.5418 -11.4128 -67.261 -11.4128 -37.3536 27.5982 -67.261 27.598 42.9485 GPRESSAVG: 1870400 26.5738 -11.1788 -69.144 -8.36733 -37.2393 26.9691 -66.8369 27.2087 41.9606 TIMING: 1870400 CPU: 5422.96, 0.00289145/step Wall: 5422.96, 0.00289145/step, 2.51363 hours remaining, 209.070312 MB of memory in use. ENERGY: 1870400 722.9861 2111.4718 2002.0433 111.9611 -206523.8926 18135.0024 0.0000 0.0000 34211.0351 -149229.3928 298.7735 -183440.4279 -149142.1845 298.5045 128.3288 158.7748 557445.6606 10.3789 10.4317 PRESSURE: 1870600 10.2136 59.67 -0.429248 59.6702 -293.972 18.1699 -0.43029 18.1691 11.3564 GPRESSURE: 1870600 35.2975 10.1957 -95.6331 93.0684 -228.613 14.6844 -31.7809 22.4122 5.97573 PRESSAVG: 1870600 -12.9452 30.8066 -16.0498 30.8066 -61.4068 -18.5211 -16.0497 -18.5209 45.5587 GPRESSAVG: 1870600 -12.9668 31.2001 -17.1721 29.82 -61.2587 -18.4915 -14.6585 -16.3424 45.567 TIMING: 1870600 CPU: 5423.55, 0.00291437/step Wall: 5423.55, 0.00291437/step, 2.5334 hours remaining, 209.070312 MB of memory in use. ENERGY: 1870600 746.0561 2085.5243 1959.0493 106.6567 -206002.1533 17644.8941 0.0000 0.0000 34295.5874 -149164.3854 299.5119 -183459.9728 -149066.4901 299.0396 -90.8006 -62.4464 559377.9607 -9.5977 -9.5528 PRESSURE: 1870800 -194.02 162.681 21.4635 162.68 -174.877 155.175 21.4643 155.175 -350.997 GPRESSURE: 1870800 -139.816 62.7666 55.0964 208.491 -205.934 166.825 51.0324 154.239 -273.875 PRESSAVG: 1870800 -34.8902 89.1027 -36.8752 89.1027 -29.551 -8.77644 -36.8753 -8.77646 109.176 GPRESSAVG: 1870800 -34.8108 89.5308 -35.7899 88.7467 -30.5973 -7.82517 -37.0524 -11.2036 109.417 TIMING: 1870800 CPU: 5424.13, 0.00292963/step Wall: 5424.13, 0.00292963/step, 2.5465 hours remaining, 209.070312 MB of memory in use. ENERGY: 1870800 805.8300 2085.4700 1951.3282 121.0377 -206338.1751 17776.5402 0.0000 0.0000 34445.8345 -149152.1345 300.8240 -183597.9689 -149049.8207 299.6360 -239.9645 -206.5415 558972.6257 14.9117 14.6696 PRESSURE: 1871000 -270.071 58.8767 -50.3175 58.8758 -400.497 -58.7958 -50.3165 -58.7945 -120.931 GPRESSURE: 1871000 -246.141 78.4281 -63.2434 80.7495 -313.504 -83.9184 -48.4341 -42.9659 -131.809 PRESSAVG: 1871000 -47.7439 63.8855 -13.1159 63.8854 -13.1554 -34.5311 -13.1159 -34.5311 12.5057 GPRESSAVG: 1871000 -46.0996 61.2885 -13.6641 64.4464 -13.0222 -34.4168 -11.58 -34.8022 11.3674 TIMING: 1871000 CPU: 5424.71, 0.00289959/step Wall: 5424.71, 0.00289959/step, 2.52023 hours remaining, 209.070312 MB of memory in use. ENERGY: 1871000 759.0704 2061.9855 1964.8450 120.2829 -205626.0777 17332.6398 0.0000 0.0000 34285.9795 -149101.2745 299.4280 -183387.2541 -149002.7859 299.3629 -263.8332 -230.4843 557682.2479 -16.1312 -15.9181 PRESSURE: 1871200 -2.18072 -145.216 46.1095 -145.216 -1.31646 -45.0511 46.1094 -45.0507 -65.0863 GPRESSURE: 1871200 45.2599 -75.4421 64.5793 -114.907 -29.6069 -52.0386 -7.31942 14.9036 7.56927 PRESSAVG: 1871200 21.9953 1.84729 5.11975 1.84715 -40.8686 -2.05647 5.11974 -2.05666 2.80475 GPRESSAVG: 1871200 19.9305 7.73826 5.18122 -0.437258 -39.6742 -2.33143 3.16716 -0.681341 3.46095 TIMING: 1871200 CPU: 5425.29, 0.0029009/step Wall: 5425.29, 0.0029009/step, 2.52121 hours remaining, 209.070312 MB of memory in use. ENERGY: 1871200 763.7196 2081.2456 1941.5322 124.2769 -206092.4088 17629.3794 0.0000 0.0000 34433.7713 -149118.4840 300.7187 -183552.2552 -149022.0690 299.3640 -22.8611 7.7408 556680.1404 -5.3562 -5.4276 PRESSURE: 1871400 -219.308 -30.0776 84.3503 -30.0782 -46.1144 6.08514 84.3483 6.0858 46.3737 GPRESSURE: 1871400 -154.351 8.65146 10.5848 -58.0364 7.49713 -18.1021 208.167 38.797 39.2095 PRESSAVG: 1871400 -40.3939 -5.40081 1.78927 -5.40091 -9.49243 -29.007 1.78928 -29.007 89.2882 GPRESSAVG: 1871400 -40.2052 -8.05038 0.423923 -3.83409 -9.67033 -27.7183 2.81401 -30.1364 89.2831 TIMING: 1871400 CPU: 5425.87, 0.00289396/step Wall: 5425.87, 0.00289396/step, 2.51501 hours remaining, 209.070312 MB of memory in use. ENERGY: 1871400 795.6032 2082.9730 1948.2049 113.2004 -205944.0181 17608.6651 0.0000 0.0000 34333.0626 -149062.3090 299.8392 -183395.3716 -148965.9617 300.1630 -73.0164 -35.8814 556109.7574 13.1340 13.1359 PRESSURE: 1871600 -213.768 -273.845 -176.216 -273.845 -200.179 -31.3349 -176.216 -31.3343 -1.66687 GPRESSURE: 1871600 -169.921 -279.394 -171.438 -198.805 -231.173 -16.7986 -203.007 -98.0599 92.1403 PRESSAVG: 1871600 -13.9307 -59.5369 89.7165 -59.5368 6.86598 -19.2276 89.7165 -19.2276 7.06486 GPRESSAVG: 1871600 -14.6047 -59.5694 90.6233 -60.7206 7.29347 -19.0455 90.1849 -18.935 7.27582 TIMING: 1871600 CPU: 5426.45, 0.00290926/step Wall: 5426.45, 0.00290926/step, 2.52814 hours remaining, 209.070312 MB of memory in use. ENERGY: 1871600 747.6981 2149.5740 1970.9188 101.1998 -205771.0994 17481.4385 0.0000 0.0000 34392.5667 -148927.7035 300.3588 -183320.2702 -148837.1581 299.6864 -138.5378 -102.9845 556446.4394 0.0000 -0.0118 PRESSURE: 1871800 39.1011 143.654 -105.283 143.653 98.6674 31.8671 -105.284 31.8665 185.576 GPRESSURE: 1871800 54.0704 81.8737 -96.3555 168.24 136.972 61.1676 -170.885 23.6858 236.559 PRESSAVG: 1871800 44.9457 -0.351672 -74.1813 -0.351812 -17.5214 29.9417 -74.1814 29.9417 18.6685 GPRESSAVG: 1871800 45.4467 -0.451685 -73.4787 0.676411 -19.0949 28.4173 -72.9005 30.2696 19.5015 TIMING: 1871800 CPU: 5427.03, 0.00290701/step Wall: 5427.03, 0.00290701/step, 2.52603 hours remaining, 209.070312 MB of memory in use. ENERGY: 1871800 748.6850 2074.2546 1966.7887 108.7214 -206425.3059 17929.4598 0.0000 0.0000 34518.8442 -149078.5521 301.4617 -183597.3964 -148983.5230 299.5970 107.7815 142.5337 556526.7381 15.3643 15.2844 PRESSURE: 1872000 309.18 23.3782 -66.5629 23.3781 -57.0052 30.7298 -66.5617 30.7313 130.117 GPRESSURE: 1872000 340.53 32.8348 -50.4745 24.2656 52.2341 -2.1869 -0.176533 81.7653 86.2897 PRESSAVG: 1872000 -4.18727 -11.7682 -61.5477 -11.7682 1.45117 -70.2956 -61.5477 -70.2956 19.2878 GPRESSAVG: 1872000 -4.63282 -13.5283 -61.4666 -10.8289 2.72396 -68.7073 -61.7969 -70.2106 18.3069 TIMING: 1872000 CPU: 5427.62, 0.00292107/step Wall: 5427.62, 0.00292107/step, 2.53809 hours remaining, 209.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1872000 740.7063 2114.3227 2000.9327 127.9939 -206497.3717 18074.7192 0.0000 0.0000 34286.9331 -149151.7636 299.4363 -183438.6968 -149061.6921 300.2631 127.4307 159.6845 557663.3585 5.5172 5.4660 PRESSURE: 1872200 -27.542 2.21429 163.305 2.21462 237.073 75.2428 163.306 75.2427 106.343 GPRESSURE: 1872200 -18.7066 -5.6677 196.278 -34.1674 300.787 150.025 154.685 63.2857 116.712 PRESSAVG: 1872200 67.7322 -9.38312 0.174242 -9.38297 51.7225 5.17845 0.174279 5.17848 -77.1301 GPRESSAVG: 1872200 68.5152 -8.49406 1.42291 -11.0737 51.3575 5.31202 -1.5328 5.77376 -76.9034 TIMING: 1872200 CPU: 5428.2, 0.00291832/step Wall: 5428.2, 0.00291832/step, 2.53553 hours remaining, 209.070312 MB of memory in use. ENERGY: 1872200 754.2139 2121.9342 1970.7605 109.5599 -206617.2996 18054.0467 0.0000 0.0000 34387.5481 -149219.2362 300.3150 -183606.7843 -149111.4976 299.0845 105.2914 132.9307 557127.2503 14.1082 14.3231 LDB: ============= START OF LOAD BALANCING ============== 5431.59 LDB: ============== END OF LOAD BALANCING =============== 5431.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5431.59 LDB: ============= START OF LOAD BALANCING ============== 5431.88 LDB: Largest compute 4792 load 0.022669 is 19.2% of average load 0.118014 LDB: Average compute 0.001733 is 1.5% of average load 0.118014 LDB: TIME 5431.88 LOAD: AVG 0.118014 MAX 0.182451 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 5431.88 LOAD: AVG 0.118014 MAX 0.182451 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.695 MB LDB: TIME 5431.88 LOAD: AVG 0.118014 MAX 0.182451 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.695 MB LDB: ============== END OF LOAD BALANCING =============== 5431.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5431.88 PRESSURE: 1872400 -33.6441 8.70269 10.8099 8.70277 93.5718 163.526 10.8087 163.525 260.483 GPRESSURE: 1872400 -68.3203 -39.2962 22.2976 111.137 165.17 160.858 -3.83477 195.987 328.724 PRESSAVG: 1872400 -4.96374 20.8576 0.0251749 20.8576 9.99514 -12.9395 0.025221 -12.9396 30.3146 GPRESSAVG: 1872400 -6.96799 21.0206 -2.12453 21.5534 11.5021 -14.2407 -0.876338 -14.1693 31.2525 TIMING: 1872400 CPU: 5428.79, 0.00293316/step Wall: 5428.79, 0.00293316/step, 2.54826 hours remaining, 209.312500 MB of memory in use. ENERGY: 1872400 773.2236 2103.3078 1964.4541 114.9872 -206362.0501 18055.7951 0.0000 0.0000 34076.2378 -149274.0445 297.5963 -183350.2823 -149172.1579 298.9334 106.8034 141.8578 556871.0857 11.7820 11.9289 PRESSURE: 1872600 191.774 168.561 -35.3763 168.559 129.682 -122.526 -35.3763 -122.526 188.75 GPRESSURE: 1872600 286.561 211.323 -60.5088 60.7199 128.617 -119.58 -84.7736 -140.781 196.186 PRESSAVG: 1872600 28.8586 7.51448 -6.69596 7.51448 -56.1607 37.0573 -6.69592 37.0574 3.35361 GPRESSAVG: 1872600 30.2788 9.35352 -6.95849 6.63924 -56.8112 36.6527 -4.74643 40.3967 3.38632 TIMING: 1872600 CPU: 5429.37, 0.00289444/step Wall: 5429.37, 0.00289444/step, 2.51446 hours remaining, 209.554688 MB of memory in use. ENERGY: 1872600 753.4936 2064.0916 1980.7590 115.3988 -206764.3710 18174.4945 0.0000 0.0000 34271.5279 -149404.6057 299.3018 -183676.1336 -149308.5607 299.2511 170.0686 203.7881 556457.9847 -7.9828 -7.7154 PRESSURE: 1872800 -177.934 -39.3636 -9.82465 -39.3646 -172.712 37.0875 -9.82407 37.0895 97.3579 GPRESSURE: 1872800 -171.513 -76.8727 -45.2156 21.8849 -95.8872 50.5395 91.2698 -12.4855 104.535 PRESSAVG: 1872800 1.20378 41.1832 -98.7368 41.1832 53.9657 27.76 -98.7369 27.7601 -3.95952 GPRESSAVG: 1872800 1.69267 40.161 -95.9269 43.7738 54.3175 29.1428 -100.432 26.29 -4.82496 TIMING: 1872800 CPU: 5429.94, 0.00288804/step Wall: 5429.94, 0.00288804/step, 2.50875 hours remaining, 209.843750 MB of memory in use. ENERGY: 1872800 739.1364 2160.2203 1998.1900 113.1962 -206256.3781 17783.1693 0.0000 0.0000 34043.6553 -149418.8106 297.3117 -183462.4659 -149327.2060 299.2871 -84.4290 -54.2884 555736.8916 17.0700 17.0617 PRESSURE: 1873000 -143.591 25.9157 -30.2253 25.9159 -2.60468 32.2987 -30.2262 32.2977 -48.8436 GPRESSURE: 1873000 -138.402 8.02117 -25.2574 117.485 24.4876 8.30091 23.788 56.2839 11.9872 PRESSAVG: 1873000 -52.7675 14.8718 25.3632 14.8718 -26.6035 44.5919 25.3632 44.5919 55.0558 GPRESSAVG: 1873000 -52.6772 13.7709 24.8661 14.9446 -27.2532 44.0953 25.4738 45.1912 55.7047 TIMING: 1873000 CPU: 5430.52, 0.00289355/step Wall: 5430.52, 0.00289355/step, 2.51337 hours remaining, 209.843750 MB of memory in use. ENERGY: 1873000 757.8670 2094.6725 1963.9097 117.2475 -206239.7307 17679.2639 0.0000 0.0000 34292.1716 -149334.5984 299.4821 -183626.7700 -149241.6739 299.5062 -65.0132 -33.9758 556395.3796 -8.1051 -8.0752 PRESSURE: 1873200 28.7788 162.335 -78.0445 162.335 -59.0909 -70.5657 -78.0427 -70.5669 139.043 GPRESSURE: 1873200 19.5859 122.246 -31.2108 260.775 4.87128 -64.4683 -41.4629 -41.3221 182.613 PRESSAVG: 1873200 -9.50355 -0.980128 0.492602 -0.980139 34.3097 -13.2957 0.492654 -13.2958 19.8581 GPRESSAVG: 1873200 -7.80881 -2.05171 -0.0438936 -2.15722 33.2349 -12.5793 1.05703 -14.4746 18.9602 TIMING: 1873200 CPU: 5431.11, 0.00293555/step Wall: 5431.11, 0.00293555/step, 2.54968 hours remaining, 209.843750 MB of memory in use. ENERGY: 1873200 824.2030 2119.6616 1969.4108 123.7016 -206529.1016 17947.0617 0.0000 0.0000 34261.6467 -149283.4161 299.2155 -183545.0629 -149188.5492 299.7203 36.2436 69.0234 556428.7918 14.8881 14.7954 PRESSURE: 1873400 -77.4229 -150.515 29.8422 -150.515 -148.021 -14.5497 29.8432 -14.5494 -138.163 GPRESSURE: 1873400 -3.85641 -154.945 13.6588 -166.192 -102.665 -25.748 30.961 13.506 -162.444 PRESSAVG: 1873400 1.76433 44.4278 -1.47685 44.4279 -14.837 -30.1992 -1.47686 -30.1991 15.2941 GPRESSAVG: 1873400 0.877016 45.4212 -3.1422 44.7526 -14.8057 -30.7272 -0.457746 -29.8651 16.0554 TIMING: 1873400 CPU: 5431.69, 0.00289888/step Wall: 5431.69, 0.00289888/step, 2.51768 hours remaining, 209.843750 MB of memory in use. ENERGY: 1873400 771.2755 2093.4708 1955.6272 113.8455 -205863.9911 17624.2415 0.0000 0.0000 34093.2415 -149212.2892 297.7448 -183305.5306 -149117.1466 299.1582 -121.2026 -89.6550 558220.3157 0.7405 0.7089 PRESSURE: 1873600 -29.6896 -35.1406 173.302 -35.1416 -334.071 142.846 173.304 142.846 -116.601 GPRESSURE: 1873600 24.8395 -12.0854 145.285 7.59969 -364.888 94.9245 174.087 139.693 -36.5875 PRESSAVG: 1873600 62.8872 -22.8297 19.4828 -22.8296 -63.8187 25.678 19.4828 25.678 -7.76086 GPRESSAVG: 1873600 62.8204 -23.1366 22.1423 -21.3253 -62.1896 27.4131 17.6698 26.5224 -9.12228 TIMING: 1873600 CPU: 5432.27, 0.00289385/step Wall: 5432.27, 0.00289385/step, 2.51315 hours remaining, 209.843750 MB of memory in use. ENERGY: 1873600 805.1682 2123.1782 1932.1871 114.5094 -206227.0319 17586.6438 0.0000 0.0000 34240.8818 -149424.4634 299.0341 -183665.3451 -149333.2837 298.0267 -160.1207 -125.5454 556246.0319 -2.8975 -2.8305 PRESSURE: 1873800 -114.663 -34.5549 21.9936 -34.5537 -84.6055 15.5571 21.9945 15.5577 -292.845 GPRESSURE: 1873800 -170.345 -61.4406 -31.2362 -3.48416 10.767 -31.4913 23.2851 -19.8433 -235.206 PRESSAVG: 1873800 62.4211 -26.844 12.1199 -26.8441 -51.2928 30.4762 12.1199 30.4762 -65.4035 GPRESSAVG: 1873800 61.8084 -27.7957 11.7859 -26.9485 -52.0126 28.0204 12.0494 31.3554 -64.6259 TIMING: 1873800 CPU: 5432.86, 0.00294442/step Wall: 5432.86, 0.00294442/step, 2.5569 hours remaining, 209.843750 MB of memory in use. ENERGY: 1873800 734.3412 2079.7076 1934.2014 109.4960 -205914.0256 17602.4601 0.0000 0.0000 34199.8438 -149253.9754 298.6757 -183453.8192 -149150.9071 298.4387 -164.0377 -131.5949 558383.5959 -18.0917 -18.2767 PRESSURE: 1874000 -16.8413 -66.3254 -142.195 -66.326 11.0029 -61.9589 -142.195 -61.9567 -156.8 GPRESSURE: 1874000 30.1786 -0.284011 -91.4888 -39.0609 60.2332 -68.9336 -177.606 -27.5273 -147.653 PRESSAVG: 1874000 -19.8355 2.3391 -61.4572 2.33911 29.3872 -39.08 -61.4571 -39.0799 34.5687 GPRESSAVG: 1874000 -19.3878 6.35943 -61.9431 0.0038983 29.0628 -38.0861 -59.0269 -40.2036 34.9086 TIMING: 1874000 CPU: 5433.44, 0.00293076/step Wall: 5433.44, 0.00293076/step, 2.54487 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1874000 728.9503 2096.1667 1963.3961 114.1649 -205811.0216 17558.4327 0.0000 0.0000 34187.6217 -149162.2893 298.5690 -183349.9110 -149066.2910 299.8382 -54.2128 -19.0805 557260.3870 14.7068 14.8612 PRESSURE: 1874200 -21.5613 -121.93 -90.9547 -121.929 81.7147 -26.326 -90.9545 -26.3273 144.45 GPRESSURE: 1874200 72.3403 -133.776 -31.5351 -128.82 110.462 -54.55 -108.665 -155.93 113.107 PRESSAVG: 1874200 -37.4808 -24.383 34.7665 -24.383 17.258 2.91212 34.7666 2.91215 8.49438 GPRESSAVG: 1874200 -38.1823 -25.6072 33.8773 -24.8643 16.7448 2.33848 33.505 2.68193 9.79943 TIMING: 1874200 CPU: 5434.02, 0.00289476/step Wall: 5434.02, 0.00289476/step, 2.51346 hours remaining, 209.843750 MB of memory in use. ENERGY: 1874200 735.8389 2149.6344 1945.1774 120.4477 -206522.2466 17852.7847 0.0000 0.0000 34502.4841 -149215.8795 301.3188 -183718.3637 -149108.4059 299.7292 68.2012 98.6367 555290.2260 -3.9095 -3.8794 PRESSURE: 1874400 -133.363 -97.4985 159.392 -97.5006 -13.8632 273.502 159.391 273.503 145.925 GPRESSURE: 1874400 -55.3112 -34.3211 248.087 -115.379 16.752 335.033 129.433 180.205 151.392 PRESSAVG: 1874400 -41.9045 -49.4125 -32.2652 -49.4124 56.4494 36.2982 -32.2651 36.2983 8.63476 GPRESSAVG: 1874400 -42.0903 -49.5357 -29.397 -47.6177 56.6381 37.2185 -32.5748 34.9827 8.53533 TIMING: 1874400 CPU: 5434.61, 0.00290943/step Wall: 5434.61, 0.00290943/step, 2.52603 hours remaining, 209.843750 MB of memory in use. ENERGY: 1874400 726.6591 2150.8149 1939.4006 119.8936 -206077.9632 17762.7796 0.0000 0.0000 34268.6362 -149109.7792 299.2765 -183378.4154 -149008.5762 299.8092 -0.4336 37.6110 556792.8556 7.7266 7.6944 PRESSURE: 1874600 -258.066 -51.902 49.767 -51.9025 121.428 74.1848 49.7674 74.1856 -270.634 GPRESSURE: 1874600 -168.076 2.49082 -60.8476 -66.7235 113.582 97.0458 93.4335 14.874 -254.731 PRESSAVG: 1874600 34.6492 -28.4459 39.5715 -28.4459 44.3649 52.4832 39.5715 52.4831 -20.872 GPRESSAVG: 1874600 36.1528 -26.8687 37.3409 -29.7289 43.8548 52.7661 38.8162 53.8447 -22.0536 TIMING: 1874600 CPU: 5435.19, 0.00290673/step Wall: 5435.19, 0.00290673/step, 2.52353 hours remaining, 209.843750 MB of memory in use. ENERGY: 1874600 795.4708 2057.8661 1948.2447 119.9866 -205812.8299 17449.9735 0.0000 0.0000 34257.5374 -149183.7508 299.1796 -183441.2882 -149081.6826 299.9066 -135.7572 -103.0749 556895.3978 19.3807 19.3180 PRESSURE: 1874800 -341.476 26.7146 27.2622 26.7141 -108.473 68.7971 27.2631 68.7968 -92.551 GPRESSURE: 1874800 -269.145 15.073 70.9549 8.32241 -110.993 83.6392 30.3812 22.944 -65.9833 PRESSAVG: 1874800 -15.386 12.8222 -29.6271 12.8223 -1.28031 42.169 -29.6271 42.1691 -19.0796 GPRESSAVG: 1874800 -17.3531 11.907 -30.4377 11.1242 -0.393987 38.8901 -29.0784 45.0016 -17.5254 TIMING: 1874800 CPU: 5435.76, 0.00289301/step Wall: 5435.76, 0.00289301/step, 2.51145 hours remaining, 209.843750 MB of memory in use. ENERGY: 1874800 728.9542 2110.2326 1944.7667 116.7760 -205919.9857 17474.4291 0.0000 0.0000 34353.2456 -149191.5816 300.0154 -183544.8272 -149104.6220 299.3016 -180.8334 -148.7071 557461.7057 -11.9153 -11.7575 PRESSURE: 1875000 -113.038 68.5152 -65.0841 68.5153 37.6563 63.2224 -65.0847 63.2233 -147.845 GPRESSURE: 1875000 -123.992 138.108 -17.8586 19.7159 82.9977 59.451 -85.1 137.86 -107.204 PRESSAVG: 1875000 20.095 43.0056 60.438 43.0056 5.29216 57.3358 60.438 57.3358 -54.0873 GPRESSAVG: 1875000 20.5981 41.321 60.9009 45.1158 6.06943 58.8337 60.7618 55.845 -55.4378 TIMING: 1875000 CPU: 5436.35, 0.00290193/step Wall: 5436.35, 0.00290193/step, 2.51903 hours remaining, 209.843750 MB of memory in use. ENERGY: 1875000 770.9200 2079.6298 1940.0587 111.4371 -206006.3854 17723.3754 0.0000 0.0000 34176.5309 -149204.4334 298.4721 -183380.9643 -149108.0381 299.6718 -74.4089 -49.3996 556707.3225 -9.5667 -9.5901 PRESSURE: 1875200 135.191 -138.387 150.834 -138.387 143.437 -8.23137 150.834 -8.23185 -48.0434 GPRESSURE: 1875200 136.15 -117.031 167.593 -173.699 209.831 29.6915 109.966 -76.9754 -28.4443 PRESSAVG: 1875200 -3.21104 -4.08045 35.7694 -4.08042 73.1117 39.4104 35.7694 39.4104 16.2291 GPRESSAVG: 1875200 -1.79422 -3.68111 36.4753 -3.16874 72.5212 40.3294 37.0853 40.0473 15.3012 TIMING: 1875200 CPU: 5436.92, 0.00289397/step Wall: 5436.92, 0.00289397/step, 2.51196 hours remaining, 209.843750 MB of memory in use. ENERGY: 1875200 703.3757 2040.4020 1982.2057 117.6933 -206384.4734 17749.3020 0.0000 0.0000 34469.5304 -149321.9642 301.0310 -183791.4946 -149225.0381 299.2333 76.8615 105.8457 554943.8284 28.7099 28.6761 PRESSURE: 1875400 -92.3498 26.5502 -20.1979 26.5506 -172.522 -31.5513 -20.1986 -31.5523 -279.31 GPRESSURE: 1875400 -20.0703 -37.0188 -0.667054 174.793 -160.21 -9.41655 -30.7853 -33.776 -261.723 PRESSAVG: 1875400 -3.28153 -18.7417 45.5092 -18.7416 13.7628 -1.30151 45.5092 -1.30148 4.87698 GPRESSAVG: 1875400 -4.35573 -19.5778 46.5461 -18.2448 15.3455 -1.99024 43.236 -1.53674 4.92808 TIMING: 1875400 CPU: 5437.51, 0.00291921/step Wall: 5437.51, 0.00291921/step, 2.53371 hours remaining, 209.843750 MB of memory in use. ENERGY: 1875400 792.0122 2057.8628 1930.5632 121.3896 -205916.3547 17374.8415 0.0000 0.0000 34296.4401 -149343.2455 299.5193 -183639.6855 -149247.6231 299.2810 -181.3941 -147.3345 556710.4308 5.1194 5.3060 PRESSURE: 1875600 0.575086 27.0247 90.007 27.0233 -15.9547 111.411 90.0081 111.41 114.621 GPRESSURE: 1875600 6.2158 -55.5666 62.501 116.521 42.2038 134.614 134.1 158.045 149.83 PRESSAVG: 1875600 -17.2835 31.4888 8.01621 31.4887 43.6833 2.49883 8.01618 2.49877 -25.6805 GPRESSAVG: 1875600 -18.5419 31.7954 7.46396 29.4808 43.1719 2.53422 8.88583 2.65296 -23.5397 TIMING: 1875600 CPU: 5438.09, 0.00290014/step Wall: 5438.09, 0.00290014/step, 2.517 hours remaining, 209.843750 MB of memory in use. ENERGY: 1875600 717.0794 2034.0749 1997.4098 116.9654 -206302.2121 17924.2443 0.0000 0.0000 34269.3204 -149243.1179 299.2825 -183512.4383 -149147.7393 298.9645 33.0805 66.0833 558078.4476 0.2398 0.3634 PRESSURE: 1875800 -58.7051 13.5718 -151.517 13.5717 -389.032 46.7794 -151.515 46.7809 -248.198 GPRESSURE: 1875800 -11.9596 -89.0943 -146.86 102.846 -351.728 107.302 -61.4905 0.21564 -238.173 PRESSAVG: 1875800 -31.3046 14.9486 -18.4595 14.9485 24.2705 31.7299 -18.4596 31.7298 -5.52066 GPRESSAVG: 1875800 -30.9604 14.8809 -19.2388 15.8037 24.766 32.5553 -17.8239 31.8936 -6.67055 TIMING: 1875800 CPU: 5438.67, 0.00289208/step Wall: 5438.67, 0.00289208/step, 2.50984 hours remaining, 209.843750 MB of memory in use. ENERGY: 1875800 766.9948 2078.6033 1967.0827 116.2337 -205916.1920 17499.5973 0.0000 0.0000 34274.1310 -149213.5492 299.3245 -183487.6802 -149124.1924 299.6579 -231.9785 -200.6203 557796.4556 -4.1849 -4.2883 PRESSURE: 1876000 -14.9667 -37.1409 50.8258 -37.1394 -184.228 98.4609 50.8263 98.4596 84.3739 GPRESSURE: 1876000 35.8446 26.8352 -29.5028 -122.56 -130.07 176.624 48.917 -46.3167 81.3257 PRESSAVG: 1876000 12.2837 -19.5466 49.8039 -19.5466 -23.7562 -4.72542 49.8039 -4.72548 -27.68 GPRESSAVG: 1876000 12.8637 -16.5712 49.2765 -21.323 -23.1438 -5.90369 49.7446 -4.59221 -28.7175 TIMING: 1876000 CPU: 5439.24, 0.00288413/step Wall: 5439.24, 0.00288413/step, 2.50278 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1876000 739.2532 2109.8700 1979.4401 112.0352 -205853.7815 17557.2246 0.0000 0.0000 34260.2351 -149095.7233 299.2032 -183355.9584 -149002.6865 300.0202 -38.2735 -4.3000 556835.3377 -13.0508 -12.9992 PRESSURE: 1876200 162.947 81.7045 -14.712 81.705 -109.294 76.6488 -14.7116 76.6507 -370.492 GPRESSURE: 1876200 253.533 92.87 -51.0965 0.408557 -129.712 58.4497 -38.8371 84.4047 -350.16 PRESSAVG: 1876200 -6.24124 19.5419 17.2552 19.5419 -7.89786 11.106 17.2552 11.106 40.8372 GPRESSAVG: 1876200 -6.25607 19.6519 16.7481 19.6798 -8.82655 13.4904 17.7223 8.94256 41.591 TIMING: 1876200 CPU: 5439.82, 0.00289295/step Wall: 5439.82, 0.00289295/step, 2.51028 hours remaining, 209.843750 MB of memory in use. ENERGY: 1876200 723.4854 2097.2492 1970.8567 113.6780 -206291.0232 17684.3204 0.0000 0.0000 34468.2795 -149233.1540 301.0201 -183701.4335 -149123.5055 300.2131 -105.6130 -75.4463 558198.9723 8.8994 8.8361 LDB: ============= START OF LOAD BALANCING ============== 5443.21 LDB: ============== END OF LOAD BALANCING =============== 5443.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5443.21 LDB: ============= START OF LOAD BALANCING ============== 5443.5 LDB: Largest compute 4820 load 0.024064 is 20.4% of average load 0.118078 LDB: Average compute 0.001731 is 1.5% of average load 0.118078 LDB: TIME 5443.5 LOAD: AVG 0.118078 MAX 0.181514 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.02 MB LDB: TIME 5443.5 LOAD: AVG 0.118078 MAX 0.181514 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.027 MB LDB: TIME 5443.5 LOAD: AVG 0.118078 MAX 0.181514 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5443.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5443.51 PRESSURE: 1876400 -131.653 -19.2888 156.319 -19.2886 -94.0237 -4.21366 156.319 -4.21486 -150.152 GPRESSURE: 1876400 -71.3791 -62.2134 226.331 12.052 -61.788 55.6544 9.24373 -85.5811 -160.857 PRESSAVG: 1876400 62.1554 -23.7777 12.5246 -23.7779 14.2444 27.7991 12.5245 27.7992 -48.0704 GPRESSAVG: 1876400 63.4936 -24.0049 11.2366 -23.6924 13.7915 26.1737 12.6536 28.7263 -49.176 TIMING: 1876400 CPU: 5440.41, 0.00295224/step Wall: 5440.41, 0.00295224/step, 2.56156 hours remaining, 206.691406 MB of memory in use. ENERGY: 1876400 743.1727 2142.2403 1947.5838 111.9871 -206114.4831 17741.9553 0.0000 0.0000 34458.0303 -148969.5136 300.9305 -183427.5439 -148877.7781 300.0211 -125.2762 -98.0081 559242.6286 9.4431 9.3697 PRESSURE: 1876600 187.127 19.2305 22.0435 19.229 -100.8 -161.43 22.0439 -161.431 1.85254 GPRESSURE: 1876600 242.417 42.7147 -47.4891 44.2956 -145.94 -106.947 43.2478 -101.885 91.4188 PRESSAVG: 1876600 35.8829 49.5975 45.7734 49.5974 29.8381 43.7169 45.7734 43.7169 -44.4062 GPRESSAVG: 1876600 34.3541 47.7951 48.6792 50.5462 29.4298 42.3884 44.62 44.5338 -42.647 TIMING: 1876600 CPU: 5440.99, 0.00290232/step Wall: 5440.99, 0.00290232/step, 2.51809 hours remaining, 206.691406 MB of memory in use. ENERGY: 1876600 749.9145 2085.2276 1953.3161 119.9567 -205970.7900 17799.7314 0.0000 0.0000 34256.8016 -149005.8421 299.1732 -183262.6437 -148909.6272 299.4227 29.3930 62.6321 557708.5463 7.1050 7.0456 PRESSURE: 1876800 -166.216 -34.3496 -29.5703 -34.3491 -171.034 115.469 -29.5702 115.47 -144.257 GPRESSURE: 1876800 -122.396 -20.2297 -17.1713 3.96555 -155.308 -6.45315 22.279 180.844 -118.503 PRESSAVG: 1876800 60.6578 55.4082 2.63112 55.4082 -21.325 -51.078 2.63109 -51.0781 -54.4908 GPRESSAVG: 1876800 61.7876 54.785 0.914628 56.7183 -21.2287 -51.7757 2.22147 -50.6159 -56.0502 TIMING: 1876800 CPU: 5441.58, 0.00291686/step Wall: 5441.58, 0.00291686/step, 2.53054 hours remaining, 206.691406 MB of memory in use. ENERGY: 1876800 751.2326 2055.6800 1960.0778 102.7000 -205727.9079 17487.0049 0.0000 0.0000 34261.3529 -149109.8596 299.2129 -183371.2125 -149013.8601 298.6111 -160.5023 -132.0689 559095.5547 -5.0527 -5.1638 PRESSURE: 1877000 -157.809 11.324 144.926 11.3221 -29.4125 -66.6106 144.926 -66.6103 26.9159 GPRESSURE: 1877000 -161.874 37.6718 150.57 49.8856 41.3163 -48.7443 160.991 7.50427 52.7323 PRESSAVG: 1877000 79.5206 0.798269 22.403 0.798215 -50.7326 -76.2301 22.4029 -76.23 -11.6015 GPRESSAVG: 1877000 80.4938 0.060154 23.0085 0.692996 -51.8481 -75.5039 23.8559 -75.962 -11.5847 TIMING: 1877000 CPU: 5442.16, 0.00291347/step Wall: 5442.16, 0.00291347/step, 2.52743 hours remaining, 206.691406 MB of memory in use. ENERGY: 1877000 768.5429 2111.1822 1947.4127 115.3168 -206013.6496 17844.8763 0.0000 0.0000 34279.3440 -148946.9747 299.3700 -183226.3186 -148838.6640 299.1947 -53.4351 -22.6086 558912.6042 5.7288 5.6870 PRESSURE: 1877200 44.2037 -3.74461 171.4 -3.74476 -135.524 43.9199 171.399 43.92 -63.5143 GPRESSURE: 1877200 60.4078 13.9874 183.316 0.984099 -95.6332 115.11 151.061 -34.9347 -33.8601 PRESSAVG: 1877200 -19.0054 18.9611 69.2437 18.9611 -30.7751 3.40925 69.2436 3.4093 55.4983 GPRESSAVG: 1877200 -20.3031 19.0792 69.5178 18.6757 -29.8655 3.01851 68.1156 1.24351 55.4117 TIMING: 1877200 CPU: 5442.74, 0.00291332/step Wall: 5442.74, 0.00291332/step, 2.52715 hours remaining, 206.691406 MB of memory in use. ENERGY: 1877200 751.3147 2094.3520 1948.5116 116.2320 -206341.1580 17904.7721 0.0000 0.0000 34429.7012 -149096.2743 300.6831 -183525.9755 -149004.6127 299.8679 -51.6115 -23.0285 558066.3248 1.9059 1.7477 PRESSURE: 1877400 -135.974 -16.4689 127.297 -16.4685 -57.121 -19.0239 127.298 -19.0232 -216.875 GPRESSURE: 1877400 -64.4585 -8.32658 127.26 33.9087 -44.6675 -101.117 59.8331 79.4037 -204.166 PRESSAVG: 1877400 35.1065 -18.8792 34.3035 -18.8792 -21.5618 10.4855 34.3035 10.4855 38.8808 GPRESSAVG: 1877400 35.4919 -18.3374 33.9359 -20.3908 -22.5676 9.55416 34.3529 14.1894 39.4294 TIMING: 1877400 CPU: 5443.32, 0.00289933/step Wall: 5443.32, 0.00289933/step, 2.51485 hours remaining, 206.691406 MB of memory in use. ENERGY: 1877400 725.2342 2096.8052 1978.6633 113.8076 -205799.0585 17634.4930 0.0000 0.0000 34190.2334 -149059.8218 298.5918 -183250.0552 -148960.2031 299.7219 -136.6565 -104.4306 558679.0673 17.4752 17.4513 PRESSURE: 1877600 -4.8196 -138.564 -52.984 -138.565 31.2203 -155.994 -52.9853 -155.994 72.277 GPRESSURE: 1877600 53.6134 -114.025 -61.906 -139.696 62.225 -137.455 -17.03 -186.551 70.6845 PRESSAVG: 1877600 -24.6841 -38.8311 33.6051 -38.8311 -31.1766 -27.8405 33.6052 -27.8406 56.7742 GPRESSAVG: 1877600 -24.7372 -37.7671 31.7815 -40.9994 -30.3315 -26.6075 33.8215 -30.3209 56.1229 TIMING: 1877600 CPU: 5443.91, 0.00293643/step Wall: 5443.91, 0.00293643/step, 2.54686 hours remaining, 206.691406 MB of memory in use. ENERGY: 1877600 779.5525 2097.7830 1925.2758 110.6970 -206351.8298 18086.3194 0.0000 0.0000 34118.1783 -149234.0237 297.9625 -183352.2020 -149137.3733 299.4723 32.8926 62.1743 558813.4966 0.3045 0.3514 PRESSURE: 1877800 -28.4899 -55.5523 -29.778 -55.5519 5.90685 17.7699 -29.7784 17.7687 5.2647 GPRESSURE: 1877800 49.8871 -37.084 -16.8434 -139.476 -21.6851 -78.1237 -19.3221 29.5529 54.8906 PRESSAVG: 1877800 38.82 -45.9405 30.7635 -45.9405 -27.998 -8.09317 30.7634 -8.09317 14.0156 GPRESSAVG: 1877800 39.3439 -45.8429 32.7419 -44.1124 -29.0093 -9.58932 29.8644 -6.44229 14.8199 TIMING: 1877800 CPU: 5444.5, 0.00295067/step Wall: 5444.5, 0.00295067/step, 2.55905 hours remaining, 206.691406 MB of memory in use. ENERGY: 1877800 762.3447 2057.5441 1921.0405 110.6476 -206378.1220 18013.9160 0.0000 0.0000 34222.6506 -149289.9786 298.8749 -183512.6291 -149203.3623 298.6275 -5.7728 27.6975 558234.9367 8.2792 8.3848 PRESSURE: 1878000 -130.066 -97.7793 -73.8464 -97.7802 -18.7324 67.5136 -73.8455 67.5134 -197.793 GPRESSURE: 1878000 -99.4097 -63.2306 -69.2243 -107.114 18.4669 88.3991 15.1034 31.8031 -150.023 PRESSAVG: 1878000 9.04806 -30.692 -11.2299 -30.6919 12.3431 35.8504 -11.2299 35.8504 -20.5419 GPRESSAVG: 1878000 9.80457 -31.677 -10.7636 -31.1125 11.9148 38.8625 -11.2637 31.9031 -20.6507 TIMING: 1878000 CPU: 5445.09, 0.00293819/step Wall: 5445.09, 0.00293819/step, 2.54807 hours remaining, 206.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1878000 763.0016 2065.4057 1933.3061 119.3769 -206023.5042 17575.6901 0.0000 0.0000 34386.8850 -149179.8389 300.3092 -183566.7239 -149084.1862 298.8472 -115.5305 -76.9887 558009.1793 0.2831 0.3562 PRESSURE: 1878200 52.8847 100.757 -196.174 100.757 201.592 42.3688 -196.173 42.3692 119.019 GPRESSURE: 1878200 83.5517 36.5139 -104.43 146.661 231.052 76.7661 -224.646 43.9808 158.419 PRESSAVG: 1878200 22.1379 37.3487 -43.3417 37.3487 14.0939 -14.5818 -43.3418 -14.5818 -24.9731 GPRESSAVG: 1878200 21.5964 36.3954 -41.6181 39.2142 14.7577 -13.7939 -44.9137 -11.3802 -24.437 TIMING: 1878200 CPU: 5445.67, 0.00292296/step Wall: 5445.67, 0.00292296/step, 2.5347 hours remaining, 206.691406 MB of memory in use. ENERGY: 1878200 734.1683 2098.2204 1943.7584 118.9275 -206578.1153 18131.1160 0.0000 0.0000 34252.6793 -149299.2453 299.1372 -183551.9246 -149212.0820 299.7312 124.4986 157.6743 558380.5930 3.7529 3.9724 PRESSURE: 1878400 374.564 198.703 107.13 198.703 150.325 -57.9261 107.129 -57.9267 150.662 GPRESSURE: 1878400 365.318 136.736 59.1399 290.072 186.853 -21.9036 155.384 13.6312 220.823 PRESSAVG: 1878400 27.1264 106.63 6.94938 106.63 -19.4914 6.27532 6.94946 6.27537 15.8525 GPRESSAVG: 1878400 27.2862 109.518 5.88488 104.453 -19.4538 4.05534 9.09858 4.99285 15.498 TIMING: 1878400 CPU: 5446.25, 0.00291728/step Wall: 5446.25, 0.00291728/step, 2.5296 hours remaining, 206.691406 MB of memory in use. ENERGY: 1878400 729.9568 2089.5357 1950.6995 129.2533 -207009.9736 18204.0331 0.0000 0.0000 34437.8077 -149468.6875 300.7539 -183906.4952 -149373.5982 298.4518 225.1839 257.6645 555432.6351 7.8292 7.7768 PRESSURE: 1878600 166.111 39.7068 67.0892 39.7076 -46.2247 -112.783 67.09 -112.784 70.4137 GPRESSURE: 1878600 131.989 -59.4233 121.185 55.7026 9.92136 -96.223 37.5992 -133.536 142.917 PRESSAVG: 1878600 44.5998 60.3076 33.9916 60.3075 15.7681 40.7424 33.9916 40.7424 -67.1087 GPRESSAVG: 1878600 44.5466 58.1143 34.4044 61.7171 16.5609 43.9287 33.3158 38.5415 -68.4224 TIMING: 1878600 CPU: 5446.83, 0.00289558/step Wall: 5446.83, 0.00289558/step, 2.51062 hours remaining, 206.691406 MB of memory in use. ENERGY: 1878600 709.9602 2086.9549 1945.7889 103.2114 -206365.8899 17817.1356 0.0000 0.0000 34276.8254 -149426.0134 299.3480 -183702.8388 -149333.0791 299.2424 63.4334 94.9422 555866.1318 -2.2470 -2.4383 PRESSURE: 1878800 -81.742 -57.8211 70.7807 -57.8225 215.841 -53.0117 70.78 -53.0102 -100.826 GPRESSURE: 1878800 -78.7422 -100.107 45.5108 -62.0276 229.069 -18.6929 68.0181 30.6465 -23.4213 PRESSAVG: 1878800 -17.6713 -27.9433 0.969503 -27.9434 -17.7935 46.1372 0.96952 46.1373 55.2493 GPRESSAVG: 1878800 -17.1638 -26.9242 -0.379962 -28.9132 -19.0061 46.5709 3.40814 47.6526 55.2129 TIMING: 1878800 CPU: 5447.41, 0.00290542/step Wall: 5447.41, 0.00290542/step, 2.519 hours remaining, 206.691406 MB of memory in use. ENERGY: 1878800 741.9118 2167.7665 1947.9094 109.8136 -206493.4093 17852.6034 0.0000 0.0000 34044.6174 -149628.7872 297.3201 -183673.4045 -149532.9068 298.8141 11.0907 42.3019 557350.4760 6.5949 6.3477 PRESSURE: 1879000 149.613 -131.138 -121.402 -131.138 -27.3249 -43.5126 -121.401 -43.5116 -137.721 GPRESSURE: 1879000 174.393 -109.331 -52.1689 -84.8806 20.885 -44.5153 -69.6789 69.0525 -110.464 PRESSAVG: 1879000 10.5722 35.4684 -5.83376 35.4684 -0.571118 6.41954 -5.83381 6.41945 -40.5767 GPRESSAVG: 1879000 9.33094 35.9684 -4.29783 36.6104 0.392615 4.88891 -7.64889 7.38597 -40.6999 TIMING: 1879000 CPU: 5447.99, 0.00289198/step Wall: 5447.99, 0.00289198/step, 2.50719 hours remaining, 206.691406 MB of memory in use. ENERGY: 1879000 726.8340 2043.8810 1988.7749 112.1804 -206605.4156 17939.2569 0.0000 0.0000 34299.6338 -149494.8545 299.5472 -183794.4883 -149394.8247 297.8951 -5.1442 28.2712 555791.9454 -10.1919 -10.3255 PRESSURE: 1879200 91.0243 61.5919 66.4954 61.592 323.662 -11.3912 66.4979 -11.3903 -34.1754 GPRESSURE: 1879200 166.722 59.3833 89.4574 -16.2719 341.507 4.86406 -0.163233 -86.1388 -31.9455 PRESSAVG: 1879200 -36.2469 -7.28538 20.0476 -7.28539 27.6866 3.26276 20.0477 3.26273 30.7237 GPRESSAVG: 1879200 -35.2658 -8.97126 19.1589 -9.42963 26.5025 4.04741 19.0988 1.76939 30.8057 TIMING: 1879200 CPU: 5448.57, 0.00290014/step Wall: 5448.57, 0.00290014/step, 2.5141 hours remaining, 206.691406 MB of memory in use. ENERGY: 1879200 731.6281 2082.9972 1980.9257 119.4230 -206538.5579 17915.2764 0.0000 0.0000 34187.6225 -149520.6849 298.5690 -183708.3074 -149427.8892 298.3932 126.8370 158.7611 555266.7179 7.3878 7.3475 PRESSURE: 1879400 -117.76 6.91617 228.08 6.916 178.867 374.772 228.08 374.772 -69.6379 GPRESSURE: 1879400 -86.2712 -20.0308 154.118 11.8831 174.35 483.221 243.621 297.933 -8.28331 PRESSAVG: 1879400 11.5016 0.505362 59.3517 0.505365 29.9682 15.9367 59.3518 15.9368 -54.5548 GPRESSAVG: 1879400 10.5903 -0.410895 59.1275 2.44852 31.1265 17.673 60.3064 16.0348 -54.2263 TIMING: 1879400 CPU: 5449.16, 0.0029113/step Wall: 5449.16, 0.0029113/step, 2.52361 hours remaining, 206.691406 MB of memory in use. ENERGY: 1879400 739.2461 2136.2097 1968.6202 114.0739 -206446.7356 17750.0375 0.0000 0.0000 34448.1209 -149290.4274 300.8440 -183738.5482 -149198.2168 299.3816 -2.8436 26.5985 556094.6500 -4.3617 -4.1699 PRESSURE: 1879600 -122.987 122.775 -67.2233 122.775 -5.09784 -94.4875 -67.2235 -94.4879 -3.34459 GPRESSURE: 1879600 -40.4492 123.166 -58.1038 110.366 65.5184 -69.5258 -119.963 -82.9221 -62.923 PRESSAVG: 1879600 38.546 8.92668 25.3625 8.92666 -15.6135 47.3968 25.3625 47.3968 -36.0519 GPRESSAVG: 1879600 39.4483 10.6716 25.8633 9.15681 -15.7928 43.8145 25.9166 48.8 -36.5621 TIMING: 1879600 CPU: 5449.73, 0.00288098/step Wall: 5449.73, 0.00288098/step, 2.49717 hours remaining, 206.691406 MB of memory in use. ENERGY: 1879600 756.2432 2084.6518 1969.6535 116.3168 -206338.1680 17788.8093 0.0000 0.0000 34255.7964 -149366.6970 299.1644 -183622.4934 -149276.1054 299.1719 -43.8098 -12.6179 557117.3221 -4.3731 -4.3022 PRESSURE: 1879800 101.624 65.4675 184.726 65.4674 274.719 73.4904 184.724 73.4909 356.357 GPRESSURE: 1879800 174.579 20.7713 110.579 29.5844 279.929 13.3028 133.694 110.068 381.132 PRESSAVG: 1879800 4.3987 48.7469 22.9107 48.7468 -16.4859 51.8146 22.9107 51.8147 43.2534 GPRESSAVG: 1879800 4.73764 47.1549 22.2652 47.7832 -17.8301 53.2933 22.4405 51.2261 44.7176 TIMING: 1879800 CPU: 5450.31, 0.00290649/step Wall: 5450.31, 0.00290649/step, 2.51912 hours remaining, 206.691406 MB of memory in use. ENERGY: 1879800 716.0806 2095.9281 1954.2783 109.6412 -206589.8241 18031.5133 0.0000 0.0000 34398.9502 -149283.4324 300.4146 -183682.3826 -149182.3621 299.4122 244.2332 278.5466 555770.3345 10.3887 10.5417 PRESSURE: 1880000 193.233 92.0311 -111.11 92.0311 131.446 38.9843 -111.112 38.9836 52.4684 GPRESSURE: 1880000 192.046 154.54 -58.3906 36.039 203.511 55.0743 -189.215 32.7618 75.2186 PRESSAVG: 1880000 -19.2183 0.44043 39.0988 0.44047 -0.854808 -25.9203 39.0987 -25.9201 21.755 GPRESSAVG: 1880000 -19.673 2.61456 39.548 -0.329638 0.108892 -26.5249 39.2877 -25.8847 21.1237 TIMING: 1880000 CPU: 5450.89, 0.00290572/step Wall: 5450.89, 0.00290572/step, 2.51829 hours remaining, 206.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1880000 735.9640 2133.6372 1966.2974 100.4585 -206307.9092 17880.6740 0.0000 0.0000 34199.7636 -149291.1144 298.6750 -183490.8781 -149194.9716 299.4939 125.7158 156.9252 555594.9830 0.5606 0.5199 PRESSURE: 1880200 287.135 86.6537 41.2912 86.6535 -154.118 -81.3605 41.2917 -81.3593 -81.5755 GPRESSURE: 1880200 283.002 121.807 59.9435 48.5344 -133.003 -142.543 87.9356 -42.5381 8.40402 PRESSAVG: 1880200 38.385 18.311 4.2609 18.3109 12.8164 -60.7049 4.26086 -60.7049 -21.7607 GPRESSAVG: 1880200 38.0068 16.5727 2.55644 19.38 12.2779 -61.1929 5.69314 -60.9944 -21.2576 TIMING: 1880200 CPU: 5451.47, 0.00288322/step Wall: 5451.47, 0.00288322/step, 2.49863 hours remaining, 206.691406 MB of memory in use. ENERGY: 1880200 726.4818 2077.6969 1989.7624 109.7164 -206506.9177 18029.9890 0.0000 0.0000 34223.7444 -149349.5268 298.8845 -183573.2712 -149252.1148 300.2388 17.1470 52.8008 556337.1037 9.8136 9.6757 LDB: ============= START OF LOAD BALANCING ============== 5454.85 LDB: ============== END OF LOAD BALANCING =============== 5454.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5454.86 LDB: ============= START OF LOAD BALANCING ============== 5455.15 LDB: Largest compute 4792 load 0.023250 is 19.7% of average load 0.117961 LDB: Average compute 0.001728 is 1.5% of average load 0.117961 LDB: TIME 5455.15 LOAD: AVG 0.117961 MAX 0.182197 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 5455.15 LOAD: AVG 0.117961 MAX 0.182197 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.457 MB LDB: TIME 5455.15 LOAD: AVG 0.117961 MAX 0.182197 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5455.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5455.15 PRESSURE: 1880400 -244.143 94.9219 -64.5721 94.9224 -286.763 4.22454 -64.5724 4.22437 14.0936 GPRESSURE: 1880400 -197.744 120.231 -139.004 21.699 -221.475 -54.1494 -52.9858 77.9579 -7.6442 PRESSAVG: 1880400 -5.48892 57.167 -32.8801 57.167 -7.32615 9.80628 -32.8801 9.80616 -20.2603 GPRESSAVG: 1880400 -3.8188 59.8913 -32.0006 55.231 -7.23412 8.82877 -33.6438 10.7607 -22.0648 TIMING: 1880400 CPU: 5452.06, 0.00294246/step Wall: 5452.06, 0.00294246/step, 2.5498 hours remaining, 208.804688 MB of memory in use. ENERGY: 1880400 762.8323 2095.4100 1957.1670 126.1959 -206535.7410 17801.8968 0.0000 0.0000 34397.9843 -149394.2546 300.4062 -183792.2389 -149292.5879 299.4809 -172.2707 -142.2877 556429.4870 -11.0251 -11.0392 PRESSURE: 1880600 -159.191 -8.53129 62.3868 -8.53085 -11.3748 54.3625 62.3873 54.3624 -244.521 GPRESSURE: 1880600 -132.144 -35.0175 -11.9416 85.0902 -5.87869 85.4166 33.7387 9.75392 -185.44 PRESSAVG: 1880600 19.7514 45.5257 -16.4825 45.5256 34.7682 -47.9528 -16.4825 -47.9529 -15.2845 GPRESSAVG: 1880600 17.9121 45.9707 -14.8887 44.5642 35.9149 -46.682 -18.2409 -47.5579 -14.6746 TIMING: 1880600 CPU: 5452.64, 0.00289669/step Wall: 5452.64, 0.00289669/step, 2.50999 hours remaining, 208.804688 MB of memory in use. ENERGY: 1880600 753.2498 2125.5742 1954.7021 110.0764 -206079.4429 17578.2334 0.0000 0.0000 34293.1807 -149264.4263 299.4909 -183557.6070 -149165.9644 299.4366 -138.3624 -107.8209 557655.2144 13.0784 13.0508 PRESSURE: 1880800 -38.0233 47.4829 -59.7076 47.4849 187.253 15.662 -59.7079 15.6605 33.4102 GPRESSURE: 1880800 12.8738 32.8362 -27.7703 60.0503 204.215 58.4426 -92.1307 16.7948 68.9982 PRESSAVG: 1880800 21.16 -8.04181 34.3158 -8.04174 -16.4039 -17.3098 34.3157 -17.3099 -76.9601 GPRESSAVG: 1880800 20.9473 -11.5898 33.3333 -4.66534 -15.8642 -16.5573 36.6444 -18.4495 -77.1216 TIMING: 1880800 CPU: 5453.22, 0.00288435/step Wall: 5453.22, 0.00288435/step, 2.49913 hours remaining, 208.804688 MB of memory in use. ENERGY: 1880800 741.1267 2095.4471 1942.8015 112.4924 -206248.4315 17905.8364 0.0000 0.0000 34066.3856 -149384.3419 297.5102 -183450.7275 -149290.2515 298.6550 60.8798 95.3623 558117.8673 -24.0680 -24.0129 PRESSURE: 1881000 -87.2336 121.956 73.9317 121.955 -88.9096 -21.4642 73.9315 -21.4642 -267.225 GPRESSURE: 1881000 -73.2279 80.4401 56.2256 116.452 -49.9146 38.5995 76.0542 -30.9129 -220.517 PRESSAVG: 1881000 23.1454 21.8002 8.8591 21.8002 65.9964 -29.401 8.85916 -29.401 -60.4739 GPRESSAVG: 1881000 23.5028 23.2538 10.1942 19.3934 64.8176 -28.7409 6.34221 -30.1238 -59.4057 TIMING: 1881000 CPU: 5453.79, 0.00289728/step Wall: 5453.79, 0.00289728/step, 2.51017 hours remaining, 208.804688 MB of memory in use. ENERGY: 1881000 763.1785 2057.2406 1963.1706 113.3537 -206411.6859 17797.1525 0.0000 0.0000 34342.7492 -149374.8409 299.9238 -183717.5901 -149274.2827 298.2535 -147.7893 -114.5533 557812.7810 9.5560 9.6382 PRESSURE: 1881200 -131.678 63.5864 -41.7819 63.5863 -23.4706 -92.3156 -41.7813 -92.3154 39.1084 GPRESSURE: 1881200 -123.782 -29.9763 -46.1964 103.485 28.7675 -47.0455 -36.5889 -128.511 91.288 PRESSAVG: 1881200 -17.3352 24.0753 -14.0824 24.0753 -13.423 -47.1397 -14.0825 -47.1398 36.5403 GPRESSAVG: 1881200 -16.7075 23.6696 -14.874 25.68 -13.5599 -46.801 -12.8159 -47.1758 36.4951 TIMING: 1881200 CPU: 5454.37, 0.00286282/step Wall: 5454.37, 0.00286282/step, 2.48016 hours remaining, 208.804688 MB of memory in use. ENERGY: 1881200 723.5302 2060.9038 1959.9215 121.1516 -206016.7884 17681.7513 0.0000 0.0000 34082.1868 -149387.3432 297.6482 -183469.5300 -149288.9244 299.2133 -38.6799 -1.2423 558654.2208 1.9273 2.0759 PRESSURE: 1881400 -293.665 72.4598 91.2463 72.4604 22.732 -46.2077 91.2466 -46.2105 -493.045 GPRESSURE: 1881400 -319.956 50.9347 123.367 79.7009 48.9692 -62.485 41.3775 -40.8453 -407.775 PRESSAVG: 1881400 -18.3226 -16.9761 17.2516 -16.9761 -0.156021 9.62447 17.2516 9.62457 55.263 GPRESSAVG: 1881400 -18.963 -16.3019 17.3729 -17.5942 0.371336 8.81866 18.3446 11.4535 55.1568 TIMING: 1881400 CPU: 5454.94, 0.00287104/step Wall: 5454.94, 0.00287104/step, 2.48712 hours remaining, 208.804688 MB of memory in use. ENERGY: 1881400 741.1199 2094.2612 1958.9562 115.1917 -205820.8646 17451.3405 0.0000 0.0000 34163.5469 -149296.4483 298.3588 -183459.9951 -149195.0694 298.3845 -254.6594 -226.2540 558900.9109 12.2615 12.1884 PRESSURE: 1881600 -128.205 -172.057 -179.544 -172.058 -4.79359 26.4884 -179.544 26.4888 -140.107 GPRESSURE: 1881600 -110.463 -132.353 -128.527 -154.741 58.3905 53.3536 -182.651 -36.723 -127.806 PRESSAVG: 1881600 71.5313 39.5754 20.5183 39.5755 10.9284 24.5401 20.5183 24.5401 -78.1648 GPRESSAVG: 1881600 71.7826 40.0236 19.0886 38.3489 10.1833 23.9937 21.3785 24.8412 -78.1078 TIMING: 1881600 CPU: 5455.52, 0.00288058/step Wall: 5455.52, 0.00288058/step, 2.49522 hours remaining, 208.804688 MB of memory in use. ENERGY: 1881600 765.0092 2100.0580 1944.6684 115.6813 -206471.9466 17892.3263 0.0000 0.0000 34282.3796 -149371.8239 299.3965 -183654.2035 -149279.3510 299.0130 -91.0352 -59.9598 556159.1799 1.4316 1.2860 PRESSURE: 1881800 -111.086 -57.1376 118.648 -57.1373 47.632 -168.795 118.649 -168.795 -161.491 GPRESSURE: 1881800 -85.6452 -148.073 89.401 -78.6613 82.0791 -49.0119 84.6308 -192.361 -128.177 PRESSAVG: 1881800 -30.5307 13.2056 -0.469905 13.2057 20.5657 0.750096 -0.46978 0.750051 -10.1645 GPRESSAVG: 1881800 -29.7568 12.9708 -0.060758 13.9337 20.4613 0.445162 -2.97625 0.493417 -11.0555 TIMING: 1881800 CPU: 5456.1, 0.00288702/step Wall: 5456.1, 0.00288702/step, 2.50064 hours remaining, 208.804688 MB of memory in use. ENERGY: 1881800 751.2515 2078.9674 1995.4884 118.1869 -206103.5016 17803.3606 0.0000 0.0000 34049.2021 -149307.0447 297.3602 -183356.2468 -149212.7269 298.7319 -74.9818 -43.9143 557689.0041 -6.7098 -6.7837 PRESSURE: 1882000 104.648 -106.448 75.0916 -106.447 -24.2188 -25.2895 75.092 -25.2898 -138.49 GPRESSURE: 1882000 111.344 -43.1099 143.447 -127.44 70.8453 -7.51804 -9.04992 -10.3567 -133.808 PRESSAVG: 1882000 31.2538 -0.688031 44.6037 -0.687954 -2.68189 -69.1337 44.6037 -69.1336 -12.4891 GPRESSAVG: 1882000 30.6288 -2.14247 45.3809 1.85325 -2.42055 -65.9706 44.9578 -73.7374 -12.0913 TIMING: 1882000 CPU: 5456.67, 0.00288609/step Wall: 5456.67, 0.00288609/step, 2.49967 hours remaining, 208.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1882000 738.7902 2056.4668 1928.2940 107.7600 -206193.5553 17712.5384 0.0000 0.0000 34309.0663 -149340.6396 299.6296 -183649.7059 -149240.1522 298.0981 -19.3535 16.1270 556110.9507 5.3609 5.3723 PRESSURE: 1882200 -16.5602 -22.6978 -33.9028 -22.699 144.45 -123.85 -33.903 -123.85 -379.668 GPRESSURE: 1882200 52.6461 -43.8238 -21.0771 65.2897 156.76 -91.5167 21.0866 -76.1551 -367.703 PRESSAVG: 1882200 16.4774 -34.5425 7.6672 -34.5426 -10.6405 -59.6407 7.66718 -59.6407 18.8483 GPRESSAVG: 1882200 17.4414 -32.1594 6.80443 -37.0221 -11.3473 -63.0156 7.5326 -55.2563 18.7055 TIMING: 1882200 CPU: 5457.25, 0.00289758/step Wall: 5457.25, 0.00289758/step, 2.50946 hours remaining, 208.804688 MB of memory in use. ENERGY: 1882200 716.4547 2089.7344 1959.5040 108.4109 -205985.1909 17701.5490 0.0000 0.0000 34065.9300 -149343.6080 297.5062 -183409.5380 -149250.2384 298.9115 -83.9259 -52.7657 556463.5803 8.2284 8.2665 PRESSURE: 1882400 89.6719 120.405 98.0123 120.406 -90.6576 167.469 98.0118 167.47 -219.538 GPRESSURE: 1882400 135.438 114.447 61.9872 58.2205 -76.6479 227.389 141.339 100.944 -189.334 PRESSAVG: 1882400 -15.2151 -48.5789 -9.37113 -48.5788 52.5351 -21.699 -9.37112 -21.699 -32.4958 GPRESSAVG: 1882400 -16.1214 -51.2763 -9.37434 -48.7917 53.5281 -21.2969 -9.58231 -21.0272 -33.6602 TIMING: 1882400 CPU: 5457.83, 0.00290648/step Wall: 5457.83, 0.00290647/step, 2.51701 hours remaining, 208.804688 MB of memory in use. ENERGY: 1882400 756.5109 2086.8201 1950.1865 116.5080 -205721.6562 17489.7689 0.0000 0.0000 34191.5818 -149130.2801 298.6036 -183321.8618 -149032.3414 299.3982 -73.5080 -43.5145 557170.3110 1.6081 1.2488 PRESSURE: 1882600 -139.329 -284.506 107.389 -284.505 -157.147 126.986 107.39 126.988 197.421 GPRESSURE: 1882600 -135.855 -176.776 74.0698 -294.537 -107.478 -28.81 148.32 137.331 247.427 PRESSAVG: 1882600 -50.1845 -22.98 -40.0863 -22.98 -4.01814 -25.4705 -40.0862 -25.4704 88.4495 GPRESSAVG: 1882600 -50.7718 -23.5473 -39.1287 -22.2493 -3.31331 -25.6401 -39.7938 -26.2798 89.3975 TIMING: 1882600 CPU: 5458.42, 0.00291629/step Wall: 5458.42, 0.00291629/step, 2.52534 hours remaining, 208.804688 MB of memory in use. ENERGY: 1882600 759.0990 2115.0675 1964.5707 95.3725 -206159.2346 17753.6778 0.0000 0.0000 34330.5965 -149140.8507 299.8176 -183471.4472 -149053.5177 298.9153 -33.0183 1.3646 556610.2872 11.4156 11.7708 PRESSURE: 1882800 -55.5199 -50.1902 -67.8721 -50.1905 -314.571 64.4577 -67.8729 64.46 -231.126 GPRESSURE: 1882800 -39.89 30.4425 -62.3569 -91.5679 -259.827 -74.5842 -2.85635 142.895 -218.162 PRESSAVG: 1882800 -6.33199 -21.0082 -21.1449 -21.0082 -22.5825 -2.86277 -21.1449 -2.8627 22.4967 GPRESSAVG: 1882800 -6.05455 -20.0634 -20.6932 -19.9327 -22.8455 -3.14083 -20.8488 -2.6313 22.3238 TIMING: 1882800 CPU: 5459, 0.00291477/step Wall: 5459, 0.00291477/step, 2.52387 hours remaining, 208.804688 MB of memory in use. ENERGY: 1882800 744.8840 2071.4368 1959.8738 108.0407 -205514.0851 17312.7375 0.0000 0.0000 34243.7472 -149073.3651 299.0592 -183317.1123 -148976.6520 300.2540 -200.4056 -172.6262 556164.9526 -2.1393 -2.1921 PRESSURE: 1883000 -91.2136 -89.2693 -59.8323 -89.2681 -68.3712 -54.9743 -59.8316 -54.9757 38.1136 GPRESSURE: 1883000 -84.3478 -66.8717 -102.44 -60.1601 -33.4105 -55.2345 57.1811 -29.1705 94.3666 PRESSAVG: 1883000 14.1638 -16.5005 -0.985903 -16.5006 -3.03938 -28.375 -0.98594 -28.3751 -23.2332 GPRESSAVG: 1883000 12.9892 -17.1923 -1.34516 -16.7793 -2.29277 -27.2725 -0.307478 -28.9032 -23.1575 TIMING: 1883000 CPU: 5459.58, 0.00292083/step Wall: 5459.58, 0.00292083/step, 2.52895 hours remaining, 208.804688 MB of memory in use. ENERGY: 1883000 741.5971 2064.2878 1986.9047 121.2846 -205839.4225 17640.8150 0.0000 0.0000 34246.6248 -149037.9085 299.0843 -183284.5333 -148941.8886 299.6391 -40.4904 -7.7972 556504.4684 -4.0363 -4.1537 PRESSURE: 1883200 166.739 76.3645 -69.0414 76.3662 -24.3697 -10.6741 -69.0422 -10.6741 127.585 GPRESSURE: 1883200 229.048 82.5445 -140.744 84.5618 -40.6652 45.7656 -55.6287 -44.6157 173.67 PRESSAVG: 1883200 51.6879 11.3933 -62.6471 11.3933 -38.7961 1.49958 -62.6471 1.49962 -32.8698 GPRESSAVG: 1883200 52.5264 12.0427 -62.425 9.9021 -39.7456 2.05736 -64.9798 3.00274 -33.0986 TIMING: 1883200 CPU: 5460.16, 0.00289968/step Wall: 5460.16, 0.00289968/step, 2.51048 hours remaining, 208.804688 MB of memory in use. ENERGY: 1883200 740.4089 2087.0609 1965.1117 102.1454 -206123.8019 17902.2524 0.0000 0.0000 34455.3039 -148871.5187 300.9067 -183326.8226 -148780.2906 300.6927 89.9846 120.6841 556687.3881 -6.6593 -6.7726 PRESSURE: 1883400 111.567 -69.2561 -106.798 -69.2557 171.691 4.59802 -106.798 4.59776 334.7 GPRESSURE: 1883400 157.094 -38.1894 -91.1783 -57.7285 245.058 11.5319 -113.461 10.1156 311.838 PRESSAVG: 1883400 27.7132 11.8073 -21.1756 11.8073 -41.322 32.3397 -21.1757 32.3397 1.79993 GPRESSAVG: 1883400 26.8253 12.0015 -21.8468 12.708 -40.967 32.2734 -19.4759 31.4333 2.26005 TIMING: 1883400 CPU: 5460.74, 0.00290446/step Wall: 5460.74, 0.00290446/step, 2.51446 hours remaining, 208.804688 MB of memory in use. ENERGY: 1883400 759.6672 2133.8458 1930.3587 121.6370 -206165.5096 17961.3301 0.0000 0.0000 34495.0111 -148763.6598 301.2535 -183258.6709 -148669.6973 300.6593 205.9862 237.9970 557416.2146 -3.9363 -3.9605 PRESSURE: 1883600 104.302 -59.8543 56.0059 -59.8544 -35.7484 -66.5116 56.0048 -66.511 -78.5665 GPRESSURE: 1883600 124.136 -43.2206 -22.433 -108.284 35.8798 -36.8782 34.8518 -66.8687 -83.539 PRESSAVG: 1883600 52.7797 -4.02617 -5.08669 -4.02617 -20.3972 33.3959 -5.08676 33.396 -15.2526 GPRESSAVG: 1883600 53.8853 -3.96776 -5.54434 -6.76696 -19.6513 36.1845 -5.26155 30.8665 -17.0064 TIMING: 1883600 CPU: 5461.33, 0.00291037/step Wall: 5461.33, 0.00291037/step, 2.51941 hours remaining, 208.804688 MB of memory in use. ENERGY: 1883600 722.0116 2063.8384 1978.0705 125.5588 -205918.1031 17721.7692 0.0000 0.0000 34163.9044 -149142.9501 298.3619 -183306.8545 -149048.2631 299.6185 -3.3375 25.4922 557299.3001 5.7100 5.7425 PRESSURE: 1883800 46.9424 -56.6706 -47.7723 -56.6711 -241.142 140.148 -47.7703 140.147 200.631 GPRESSURE: 1883800 97.1178 -85.8018 11.8493 -31.1008 -208.306 220.793 -136.167 158.744 223.029 PRESSAVG: 1883800 -0.267457 -27.074 10.2452 -27.0742 1.41949 1.15262 10.2453 1.15263 -19.429 GPRESSAVG: 1883800 -0.0209196 -25.9646 8.96453 -25.8097 -0.0598414 -0.729877 9.92515 2.18886 -18.8645 TIMING: 1883800 CPU: 5461.91, 0.00291051/step Wall: 5461.91, 0.00291051/step, 2.51937 hours remaining, 208.804688 MB of memory in use. ENERGY: 1883800 743.2855 2049.3570 1936.5590 110.5573 -205800.2871 17700.6405 0.0000 0.0000 34344.3470 -148915.5408 299.9377 -183259.8877 -148812.4633 299.8788 2.1438 37.2802 558096.0969 -6.0923 -6.3151 PRESSURE: 1884000 54.21 -101.428 -83.2938 -101.428 27.1092 -60.3428 -83.2944 -60.3432 -43.9794 GPRESSURE: 1884000 103.046 -143.45 -79.2134 -51.5485 59.7808 -22.1044 -88.5686 -64.9794 -35.3337 PRESSAVG: 1884000 17.3686 -34.1342 -2.52547 -34.1341 -6.40713 0.952586 -2.5255 0.952638 -4.61083 GPRESSAVG: 1884000 16.484 -36.66 -1.37983 -32.3805 -6.1263 0.45372 -1.43698 3.25534 -5.10179 TIMING: 1884000 CPU: 5462.48, 0.00287302/step Wall: 5462.48, 0.00287302/step, 2.48675 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1884000 751.0821 2088.6362 1959.3179 116.6441 -205946.0870 17944.7281 0.0000 0.0000 34103.7523 -148981.9263 297.8366 -183085.6786 -148886.5623 299.7055 12.4466 42.4978 558767.9347 2.1169 1.7520 PRESSURE: 1884200 -199.059 110.476 -75.4109 110.477 194.423 -40.2495 -75.412 -40.2492 185.74 GPRESSURE: 1884200 -181.46 146.291 -87.6771 140.97 217.066 -17.7388 -118.795 -42.7379 262.167 PRESSAVG: 1884200 -9.28685 -6.03209 26.5989 -6.03206 -75.8131 35.0741 26.5988 35.0739 57.3563 GPRESSAVG: 1884200 -9.15307 -6.24059 24.8491 -6.92124 -75.44 35.9389 27.1957 34.5323 57.1017 TIMING: 1884200 CPU: 5463.06, 0.00288723/step Wall: 5463.06, 0.00288723/step, 2.49889 hours remaining, 208.871094 MB of memory in use. ENERGY: 1884200 756.0034 2074.3637 1973.4378 114.4027 -206173.9839 17839.6646 0.0000 0.0000 34226.0690 -149190.0427 298.9048 -183416.1117 -149094.4638 299.7888 60.3681 99.2580 557489.5999 -9.2479 -9.1638 LDB: ============= START OF LOAD BALANCING ============== 5466.44 LDB: ============== END OF LOAD BALANCING =============== 5466.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5466.45 LDB: ============= START OF LOAD BALANCING ============== 5466.74 LDB: Largest compute 4820 load 0.024398 is 20.7% of average load 0.118002 LDB: Average compute 0.001735 is 1.5% of average load 0.118002 LDB: TIME 5466.74 LOAD: AVG 0.118002 MAX 0.180624 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 5466.74 LOAD: AVG 0.118002 MAX 0.180624 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.656 MB LDB: TIME 5466.74 LOAD: AVG 0.118002 MAX 0.180624 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.656 MB LDB: ============== END OF LOAD BALANCING =============== 5466.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5466.75 PRESSURE: 1884400 -9.44757 -13.8944 -26.6194 -13.8963 19.2766 -21.8817 -26.6196 -21.8809 -47.6598 GPRESSURE: 1884400 36.422 -17.2831 45.1344 2.91792 -12.7712 -25.6196 -53.9356 -31.8259 29.4074 PRESSAVG: 1884400 -3.3779 17.8105 8.949 17.8104 5.9835 47.267 8.94896 47.2669 -18.9422 GPRESSAVG: 1884400 -4.25895 20.789 11.5953 16.9704 5.62909 45.8918 6.72122 45.4823 -16.942 TIMING: 1884400 CPU: 5463.65, 0.00294491/step Wall: 5463.65, 0.00294491/step, 2.54866 hours remaining, 208.613281 MB of memory in use. ENERGY: 1884400 739.1439 2059.8579 1967.8727 106.6027 -206258.0705 17786.5405 0.0000 0.0000 34321.4474 -149276.6055 299.7377 -183598.0529 -149177.7500 299.8698 -12.6103 17.6861 557912.0142 -5.4455 -5.1906 PRESSURE: 1884600 166.903 -40.6023 -78.087 -40.6028 36.4389 -12.1075 -78.0871 -12.1057 234.807 GPRESSURE: 1884600 256.65 -11.2665 14.3737 -140.346 37.09 90.4975 -89.4101 29.7002 234.508 PRESSAVG: 1884600 9.16819 -27.3775 14.3393 -27.3775 -66.8371 26.5195 14.3394 26.5195 26.9394 GPRESSAVG: 1884600 10.2655 -27.0643 11.6746 -29.9505 -67.1091 27.492 17.0314 26.6449 25.7847 TIMING: 1884600 CPU: 5464.22, 0.00287437/step Wall: 5464.22, 0.00287437/step, 2.48745 hours remaining, 208.816406 MB of memory in use. ENERGY: 1884600 758.3715 2050.7426 1965.4534 111.0518 -206614.5016 18112.2861 0.0000 0.0000 34237.6700 -149378.9262 299.0061 -183616.5961 -149281.6928 298.2859 146.0497 176.0828 557036.0906 -10.2432 -10.3530 PRESSURE: 1884800 139.795 -96.1109 141.702 -96.1119 459.331 -19.8305 141.702 -19.8298 -32.2836 GPRESSURE: 1884800 185.095 -135.005 137.008 -50.4498 484.138 14.8987 106.56 -52.3927 -12.9001 PRESSAVG: 1884800 48.6436 -7.40023 7.11184 -7.40028 -40.7493 -26.5095 7.11192 -26.5097 -6.30765 GPRESSAVG: 1884800 48.42 -11.4418 7.76574 -2.37801 -40.8915 -28.7133 7.63791 -25.447 -6.50199 TIMING: 1884800 CPU: 5464.8, 0.00289363/step Wall: 5464.8, 0.00289363/step, 2.50396 hours remaining, 208.816406 MB of memory in use. ENERGY: 1884800 737.3223 2093.9129 1980.7954 113.4376 -206713.6513 18130.7425 0.0000 0.0000 34137.5128 -149519.9277 298.1314 -183657.4405 -149428.3251 298.9105 188.9473 218.7777 555283.3157 0.5289 0.3422 PRESSURE: 1885000 135.832 115.874 -106.673 115.875 -101.975 -44.7025 -106.671 -44.7025 92.9728 GPRESSURE: 1885000 147.984 3.40757 -137.484 133.812 -9.69189 -65.6936 -80.945 -18.0187 96.8873 PRESSAVG: 1885000 -20.2208 -14.598 20.9008 -14.5981 18.4452 16.9875 20.9008 16.9874 3.35472 GPRESSAVG: 1885000 -21.1484 -13.3031 18.8351 -16.5283 18.5302 18.8148 19.9557 15.6075 4.42678 TIMING: 1885000 CPU: 5465.38, 0.0028766/step Wall: 5465.38, 0.0028766/step, 2.48905 hours remaining, 208.816406 MB of memory in use. ENERGY: 1885000 706.4693 2047.0976 1980.0596 110.8805 -206198.9945 17823.9588 0.0000 0.0000 34044.0794 -149486.4492 297.3154 -183530.5286 -149388.4191 298.1475 42.2765 78.3930 555826.3300 0.5264 0.6029 PRESSURE: 1885200 -176.97 20.0343 13.3583 20.0352 -4.29018 266.562 13.3599 266.561 -79.7967 GPRESSURE: 1885200 -109.651 105.692 58.3707 13.6056 0.794686 121.727 -86.7233 349.48 -49.2937 PRESSAVG: 1885200 -21.9916 -2.64046 -8.55025 -2.64043 -11.3686 55.5257 -8.55018 55.5256 24.9043 GPRESSAVG: 1885200 -21.099 -2.33387 -7.07087 -2.2454 -12.5306 55.1852 -8.62975 57.2244 25.2767 TIMING: 1885200 CPU: 5465.96, 0.00288507/step Wall: 5465.96, 0.00288507/step, 2.49623 hours remaining, 209.015625 MB of memory in use. ENERGY: 1885200 746.1546 2122.2225 1945.2749 126.8430 -206065.1093 17697.9365 0.0000 0.0000 34012.8433 -149413.8345 297.0426 -183426.6778 -149325.5912 298.0332 -87.0190 -52.7165 557112.1938 -2.8186 -2.7843 PRESSURE: 1885400 137.604 23.3017 36.015 23.301 93.6805 60.1375 36.0148 60.1356 -38.5559 GPRESSURE: 1885400 162.359 6.0337 21.3977 48.745 115.116 37.5725 47.8715 50.2664 16.9792 PRESSAVG: 1885400 -67.1396 -8.30354 -32.5161 -8.30352 35.4632 48.5881 -32.5161 48.5881 26.0251 GPRESSAVG: 1885400 -67.3726 -8.25396 -32.2224 -8.52418 36.822 49.7972 -33.1967 47.3825 25.1453 TIMING: 1885400 CPU: 5466.53, 0.00289567/step Wall: 5466.53, 0.00289567/step, 2.50524 hours remaining, 209.015625 MB of memory in use. ENERGY: 1885400 722.8520 2097.4654 1980.4394 104.2167 -206309.1284 17994.1690 0.0000 0.0000 34088.1795 -149321.8063 297.7005 -183409.9858 -149224.7665 298.3815 64.2429 98.1515 557591.2835 -1.8838 -1.8018 PRESSURE: 1885600 -260.404 -28.7324 -198.661 -28.7317 -25.6072 66.8013 -198.661 66.8008 -317.918 GPRESSURE: 1885600 -281.903 -23.4402 -171.078 3.54504 7.11828 116.966 -123.034 -2.5304 -238.131 PRESSAVG: 1885600 -116.906 50.4612 -33.12 50.4612 126.097 -35.134 -33.1199 -35.134 -26.3533 GPRESSAVG: 1885600 -115.968 51.5738 -33.8093 49.9544 125.668 -36.4484 -32.2678 -34.0303 -26.3136 TIMING: 1885600 CPU: 5467.11, 0.00289167/step Wall: 5467.11, 0.00289167/step, 2.50162 hours remaining, 209.015625 MB of memory in use. ENERGY: 1885600 738.5577 2108.8406 1985.5620 113.7820 -206253.9601 17598.4843 0.0000 0.0000 34414.4306 -149294.3029 300.5498 -183708.7335 -149205.1854 299.5064 -201.3100 -170.9721 557667.5053 -5.7206 -5.5378 PRESSURE: 1885800 112.679 72.8894 -13.8363 72.8893 -126.928 3.61959 -13.8351 3.61887 -146.029 GPRESSURE: 1885800 60.374 4.50564 -3.46028 112.021 -62.784 -13.3682 -11.7159 31.3465 -63.0102 PRESSAVG: 1885800 2.77254 -37.9842 -48.2146 -37.9842 20.6746 -41.2836 -48.2147 -41.2835 -68.4877 GPRESSAVG: 1885800 2.47318 -38.4674 -48.95 -38.4051 21.1538 -40.2259 -45.7018 -40.7109 -68.7807 TIMING: 1885800 CPU: 5467.69, 0.00289947/step Wall: 5467.69, 0.00289948/step, 2.50821 hours remaining, 209.015625 MB of memory in use. ENERGY: 1885800 736.2510 2131.8678 1946.4349 111.2717 -205972.3356 17670.9025 0.0000 0.0000 34190.2380 -149185.3698 298.5919 -183375.6078 -149092.2904 299.5322 -53.4262 -21.8067 557734.1446 -15.0135 -15.0513 PRESSURE: 1886000 26.3887 8.12551 -37.0781 8.1248 -41.2473 114.966 -37.0788 114.965 -115.767 GPRESSURE: 1886000 55.9372 -61.7075 -131.535 34.6865 -42.2813 72.7773 11.3364 185.819 -41.0495 PRESSAVG: 1886000 -27.7713 11.2446 -57.5721 11.2445 63.9207 23.4569 -57.5721 23.4569 -85.5813 GPRESSAVG: 1886000 -27.2561 8.54996 -57.3244 13.1845 63.3145 22.6875 -58.6152 22.4786 -85.0498 TIMING: 1886000 CPU: 5468.27, 0.00290731/step Wall: 5468.27, 0.00290731/step, 2.51483 hours remaining, 209.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1886000 739.8774 2115.1657 1961.1492 121.2479 -206199.2016 17773.3707 0.0000 0.0000 34281.3335 -149207.0572 299.3874 -183488.3907 -149103.3864 299.3676 -43.5419 -9.1312 558750.6391 -16.4773 -16.3305 PRESSURE: 1886200 317.964 -25.5178 -48.8505 -25.5191 48.8951 99.6294 -48.8505 99.6299 92.7522 GPRESSURE: 1886200 269.19 -8.11109 -28.3093 -53.3073 120.445 94.7341 -74.5944 117.763 155.68 PRESSAVG: 1886200 45.8557 -24.1138 -17.1307 -24.1138 57.7608 59.8102 -17.1307 59.8103 -96.1868 GPRESSAVG: 1886200 45.2084 -21.5455 -16.1674 -26.2433 57.9183 60.8692 -18.5828 60.2314 -95.5006 TIMING: 1886200 CPU: 5468.86, 0.00292171/step Wall: 5468.86, 0.00292171/step, 2.52712 hours remaining, 209.015625 MB of memory in use. ENERGY: 1886200 737.5371 2088.1265 1945.6802 115.6064 -206532.4559 18162.4402 0.0000 0.0000 34479.5136 -149003.5520 301.1182 -183483.0656 -148908.7201 299.4111 153.2038 181.7718 558181.5420 2.4766 2.5420 PRESSURE: 1886400 8.63023 -163.096 -115.212 -163.097 12.6198 207.248 -115.21 207.25 143.472 GPRESSURE: 1886400 86.3944 -126.018 -172.471 -151.842 21.9231 211.29 -44.9391 151.738 138.61 PRESSAVG: 1886400 3.40722 -4.97297 -41.0998 -4.97305 -33.0001 43.9955 -41.0999 43.9955 63.5908 GPRESSAVG: 1886400 4.25176 -5.2286 -41.353 -4.21307 -32.2086 43.8199 -41.2596 44.303 62.2665 TIMING: 1886400 CPU: 5469.44, 0.00289611/step Wall: 5469.44, 0.00289611/step, 2.50482 hours remaining, 209.015625 MB of memory in use. ENERGY: 1886400 759.6937 2182.6443 1973.8681 110.6582 -206140.5920 17722.4722 0.0000 0.0000 34317.1076 -149074.1479 299.6998 -183391.2555 -148964.7993 299.4556 54.9075 82.3092 557590.5005 11.3327 11.4366 PRESSURE: 1886600 -224.055 -21.3752 -128.458 -21.3755 282.925 -28.0682 -128.459 -28.0682 -75.6913 GPRESSURE: 1886600 -147.344 -136.057 -68.2241 19.2235 265.437 -17.7593 -165.44 -119.098 -50.6512 PRESSAVG: 1886600 -9.91541 -34.2593 -4.59485 -34.2593 25.5476 39.8198 -4.59483 39.8198 3.48763 GPRESSAVG: 1886600 -10.283 -33.9239 -2.49941 -34.5528 24.801 41.2637 -3.51173 40.0836 4.66939 TIMING: 1886600 CPU: 5470.02, 0.0028984/step Wall: 5470.02, 0.0028984/step, 2.50663 hours remaining, 209.015625 MB of memory in use. ENERGY: 1886600 758.2208 2172.2166 1947.5837 101.8468 -206373.5487 17961.0489 0.0000 0.0000 34295.3832 -149137.2487 299.5101 -183432.6319 -149049.4400 299.2310 -5.6072 22.4808 558782.3539 6.3733 6.3958 PRESSURE: 1886800 -13.3987 -119.563 146 -119.564 40.4004 -109.11 145.998 -109.112 47.9345 GPRESSURE: 1886800 4.59487 -95.3636 141.744 -141.486 68.8041 -167.964 167.865 -85.2548 92.0876 PRESSAVG: 1886800 -53.6189 -13.8352 23.0148 -13.8354 42.6212 -36.1707 23.0149 -36.1708 14.4468 GPRESSAVG: 1886800 -52.7935 -16.1136 21.5427 -13.2619 42.1786 -37.6472 22.1137 -35.9286 14.2315 TIMING: 1886800 CPU: 5470.6, 0.0028948/step Wall: 5470.6, 0.0028948/step, 2.50335 hours remaining, 209.015625 MB of memory in use. ENERGY: 1886800 765.5386 2100.3745 1968.7652 103.3939 -206491.8056 18101.1191 0.0000 0.0000 34189.9770 -149262.6372 298.5896 -183452.6143 -149165.4851 299.4355 24.9787 55.1622 557706.8777 1.1497 1.2056 PRESSURE: 1887000 -116.115 107.236 -45.8713 107.236 -37.2267 140.747 -45.8706 140.746 -250.753 GPRESSURE: 1887000 -77.863 115.471 -24.8749 43.1464 -65.1795 190.047 -140.589 163.701 -174.349 PRESSAVG: 1887000 2.50001 15.1251 40.8225 15.125 36.6239 -8.81751 40.8226 -8.81752 -44.799 GPRESSAVG: 1887000 0.731909 18.5727 41.6843 13.8877 38.2026 -8.56568 42.0978 -8.87692 -44.408 TIMING: 1887000 CPU: 5471.18, 0.00290988/step Wall: 5471.18, 0.00290988/step, 2.51624 hours remaining, 209.015625 MB of memory in use. ENERGY: 1887000 754.5205 2118.3672 1985.5116 117.5836 -206100.1045 17770.2448 0.0000 0.0000 34152.1173 -149201.7595 298.2589 -183353.8768 -149108.5777 299.3747 -134.6983 -105.7973 560046.7212 -1.8917 -1.8245 PRESSURE: 1887200 123.984 8.20617 -137.969 8.20562 -36.6783 200.215 -137.969 200.214 -150.25 GPRESSURE: 1887200 175.957 3.92825 -54.3407 20.096 10.6659 183.781 -176.886 298.996 -143.631 PRESSAVG: 1887200 52.5199 32.2416 -56.1066 32.2417 5.72329 -33.7634 -56.1066 -33.7634 -36.081 GPRESSAVG: 1887200 53.1614 29.4596 -56.664 32.3841 5.75428 -32.7835 -54.2403 -34.3068 -37.2241 TIMING: 1887200 CPU: 5471.76, 0.00288841/step Wall: 5471.76, 0.00288841/step, 2.49752 hours remaining, 209.015625 MB of memory in use. ENERGY: 1887200 775.0945 2083.6611 1957.8927 119.7891 -206428.5012 17975.3298 0.0000 0.0000 34235.0481 -149281.6859 298.9832 -183516.7340 -149183.8196 299.3941 -20.9813 14.3306 560333.0941 7.3874 7.2305 PRESSURE: 1887400 295.34 0.865233 -0.686728 0.865825 -133.22 154.519 -0.686395 154.518 -106.371 GPRESSURE: 1887400 276.144 -17.5286 43.7176 -31.6321 -92.7693 81.6768 -25.0331 162.775 -33.8936 PRESSAVG: 1887400 33.6258 53.8815 -2.48401 53.8814 3.04695 -6.32561 -2.484 -6.3255 -27.1419 GPRESSAVG: 1887400 33.475 54.0649 -3.3384 53.4118 1.75781 -7.54491 -4.94362 -6.22121 -25.6319 TIMING: 1887400 CPU: 5472.33, 0.00287799/step Wall: 5472.33, 0.00287799/step, 2.48834 hours remaining, 209.015625 MB of memory in use. ENERGY: 1887400 747.4707 2131.9594 1946.7135 118.0958 -206342.1293 17885.5429 0.0000 0.0000 34326.5623 -149185.7847 299.7824 -183512.3469 -149089.6751 299.1612 18.5829 49.8270 558919.7783 3.1769 3.2003 PRESSURE: 1887600 -111.927 -4.43455 17.3813 -4.43519 -290.052 54.5465 17.3813 54.5465 -78.5518 GPRESSURE: 1887600 -107.333 -40.0175 -71.9942 -12.7652 -223.106 -31.0393 58.6211 88.1563 -63.334 PRESSAVG: 1887600 50.4188 42.9738 20.4765 42.9738 -17.8034 13.0706 20.4765 13.0706 -17.6423 GPRESSAVG: 1887600 51.2187 43.1721 20.2412 44.4309 -19.1247 14.0066 21.0367 13.1025 -17.0676 TIMING: 1887600 CPU: 5472.91, 0.00289115/step Wall: 5472.91, 0.00289115/step, 2.49956 hours remaining, 209.015625 MB of memory in use. ENERGY: 1887600 764.5771 2130.4613 1988.7524 118.8911 -206085.3804 17636.5353 0.0000 0.0000 34302.7840 -149143.3793 299.5747 -183446.1633 -149048.9225 299.4747 -160.1770 -131.2577 559610.5571 4.9910 5.0088 PRESSURE: 1887800 -162.218 -10.9383 130.562 -10.9378 -70.624 -57.203 130.562 -57.2014 -281.878 GPRESSURE: 1887800 -69.6367 -28.2847 160.28 48.1364 -119.827 18.8202 43.6512 -101.876 -230.286 PRESSAVG: 1887800 49.4388 22.8373 -5.88976 22.8373 -25.7404 -43.0842 -5.8898 -43.0842 -20.4864 GPRESSAVG: 1887800 48.8728 23.861 -5.11067 21.9017 -25.0344 -42.804 -5.67195 -43.5624 -20.7805 TIMING: 1887800 CPU: 5473.49, 0.00292139/step Wall: 5473.49, 0.00292139/step, 2.52554 hours remaining, 209.015625 MB of memory in use. ENERGY: 1887800 751.4261 2085.5571 1963.1631 110.6894 -205918.5832 17591.6913 0.0000 0.0000 34357.5686 -149058.4876 300.0532 -183416.0562 -148956.5546 299.6874 -171.5731 -139.9168 560614.4411 1.0707 1.0193 PRESSURE: 1888000 104.486 -100.625 27.9332 -100.625 121.518 38.6185 27.9338 38.6178 139.913 GPRESSURE: 1888000 147.944 -52.6985 64.1546 -167.918 159.266 68.2441 88.9536 77.667 163.745 PRESSAVG: 1888000 25.1671 -12.3026 8.58712 -12.3027 -49.3935 38.1511 8.58715 38.1511 -3.41259 GPRESSAVG: 1888000 24.6463 -11.2607 9.84055 -11.7337 -49.9205 35.7849 5.29421 39.1694 -2.64345 TIMING: 1888000 CPU: 5474.07, 0.00290139/step Wall: 5474.07, 0.00290139/step, 2.50809 hours remaining, 209.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1888000 744.5160 2154.6882 1963.0709 119.8756 -206056.6270 17930.7053 0.0000 0.0000 34151.7991 -148991.9719 298.2562 -183143.7710 -148902.8853 300.0031 121.9721 156.9849 557890.3624 -9.2130 -9.3059 PRESSURE: 1888200 287.86 43.1699 -90.2732 43.1705 92.2369 90.1352 -90.2731 90.1358 37.142 GPRESSURE: 1888200 302.385 66.6671 -67.7842 39.989 138.686 105.682 -144.904 27.9746 76.6178 PRESSAVG: 1888200 104.299 -22.395 19.9244 -22.395 -95.8709 -26.5395 19.9243 -26.5394 3.66004 GPRESSAVG: 1888200 103.301 -22.9569 18.5936 -22.9212 -93.849 -23.9157 22.5156 -29.6234 2.36528 TIMING: 1888200 CPU: 5474.66, 0.00290549/step Wall: 5474.66, 0.00290549/step, 2.51147 hours remaining, 209.015625 MB of memory in use. ENERGY: 1888200 738.5482 2118.1738 1973.2829 126.5472 -206386.4507 17983.1662 0.0000 0.0000 34240.5752 -149206.1572 299.0315 -183446.7324 -149109.3093 299.6093 139.0796 172.5628 556308.6223 4.0294 3.9391 LDB: ============= START OF LOAD BALANCING ============== 5478.04 LDB: ============== END OF LOAD BALANCING =============== 5478.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5478.04 LDB: ============= START OF LOAD BALANCING ============== 5478.33 LDB: Largest compute 4820 load 0.025996 is 22.0% of average load 0.117988 LDB: Average compute 0.001729 is 1.5% of average load 0.117988 LDB: TIME 5478.34 LOAD: AVG 0.117988 MAX 0.183917 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 5478.34 LOAD: AVG 0.117988 MAX 0.183917 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 5478.34 LOAD: AVG 0.117988 MAX 0.183917 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: ============== END OF LOAD BALANCING =============== 5478.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5478.34 PRESSURE: 1888400 -49.2495 -14.5768 -41.3238 -14.5757 108.505 -56.8579 -41.3239 -56.8577 -148.876 GPRESSURE: 1888400 1.75766 -57.6477 -99.4363 -77.8803 165.318 34.3828 -2.74112 -63.8657 -149.801 PRESSAVG: 1888400 18.773 10.9311 25.8413 10.9311 -37.2888 15.5583 25.8412 15.5584 9.88874 GPRESSAVG: 1888400 20.2515 10.7812 26.1375 11.7055 -39.3114 16.0073 25.8864 18.1302 10.1746 TIMING: 1888400 CPU: 5475.25, 0.00295507/step Wall: 5475.25, 0.00295507/step, 2.55417 hours remaining, 209.382812 MB of memory in use. ENERGY: 1888400 797.0973 2103.1580 1957.0157 119.5750 -206438.4614 17844.3735 0.0000 0.0000 34418.9850 -149198.2568 300.5896 -183617.2418 -149092.7615 299.6004 -29.8734 5.7582 555666.0309 -2.8757 -2.9618 PRESSURE: 1888600 -41.331 44.9309 117.065 44.9322 262.369 -89.8135 117.065 -89.8132 201.439 GPRESSURE: 1888600 -50.5568 -38.9588 126.813 14.4216 246.322 14.2024 173.293 -122.044 331.373 PRESSAVG: 1888600 -45.1328 39.9593 17.3786 39.9595 23.8176 -1.83112 17.3786 -1.83111 76.5907 GPRESSAVG: 1888600 -46.0996 41.638 17.1521 37.363 25.596 -2.24092 17.4299 -2.61067 75.9003 TIMING: 1888600 CPU: 5475.83, 0.00291124/step Wall: 5475.83, 0.00291124/step, 2.51612 hours remaining, 209.710938 MB of memory in use. ENERGY: 1888600 774.1181 2031.5480 1977.0636 130.9195 -206576.8751 18069.5965 0.0000 0.0000 34367.8183 -149225.8111 300.1427 -183593.6294 -149126.6523 299.7884 140.8255 175.7126 556286.0245 18.4251 18.4656 PRESSURE: 1888800 -177.707 58.1741 107.044 58.1748 -148.079 -113.959 107.042 -113.961 -278.335 GPRESSURE: 1888800 -107.666 75.1531 185.108 63.5449 -114.737 -113.61 -5.47356 -65.0893 -293.312 PRESSAVG: 1888800 -4.21805 35.4052 -15.3079 35.4052 56.143 -35.1027 -15.308 -35.1026 0.624914 GPRESSAVG: 1888800 -4.05019 32.762 -14.9385 37.8146 55.6495 -36.6369 -15.9263 -34.1156 0.651653 TIMING: 1888800 CPU: 5476.41, 0.00290081/step Wall: 5476.41, 0.00290081/step, 2.50694 hours remaining, 209.710938 MB of memory in use. ENERGY: 1888800 754.8744 2108.2002 1967.0683 114.2310 -206191.6580 17567.3666 0.0000 0.0000 34086.8943 -149593.0232 297.6893 -183679.9175 -149492.2781 298.5724 -201.3737 -171.9053 557273.3100 17.5166 17.4170 PRESSURE: 1889000 -60.9351 112.65 -81.0903 112.65 175.183 102.321 -81.0903 102.321 -239.031 GPRESSURE: 1889000 -13.5695 22.2289 -50.0533 108.668 227.539 179.579 -91.7515 96.5379 -242.863 PRESSAVG: 1889000 -64.8292 7.85885 36.6914 7.85884 40.2109 78.1661 36.6914 78.1662 34.9777 GPRESSAVG: 1889000 -64.7454 9.30281 34.6188 7.76843 40.3172 78.513 38.9746 78.2387 34.763 TIMING: 1889000 CPU: 5476.99, 0.00289999/step Wall: 5476.99, 0.00289999/step, 2.50608 hours remaining, 209.710938 MB of memory in use. ENERGY: 1889000 736.7025 2104.3139 1983.8140 122.4477 -206488.8784 17858.4160 0.0000 0.0000 34165.1671 -149518.0172 298.3729 -183683.1844 -149426.1080 298.7462 -41.5946 -9.6311 556950.7922 3.4531 3.4450 PRESSURE: 1889200 -25.6543 -108.071 -21.3183 -108.071 53.5423 -73.0035 -21.319 -73.0036 -355.243 GPRESSURE: 1889200 23.4898 -142.787 -7.58555 -82.6816 77.8787 -126.815 -75.1675 42.102 -320.895 PRESSAVG: 1889200 -66.6254 22.2977 15.4979 22.2978 114.449 85.4464 15.4979 85.4465 -33.1104 GPRESSAVG: 1889200 -65.7282 20.5566 17.9504 22.9904 113.863 85.3518 13.6718 84.8503 -32.9264 TIMING: 1889200 CPU: 5477.57, 0.00291885/step Wall: 5477.57, 0.00291885/step, 2.52221 hours remaining, 209.710938 MB of memory in use. ENERGY: 1889200 767.6417 2038.3753 1956.5059 117.4043 -206309.8144 17871.7481 0.0000 0.0000 34146.5546 -149411.5845 298.2104 -183558.1391 -149307.9434 298.5162 -109.1183 -73.1755 558132.9401 4.9044 5.0695 PRESSURE: 1889400 12.3253 -1.67543 -45.4531 -1.67547 -16.9673 -57.9078 -45.4532 -57.9078 -241.901 GPRESSURE: 1889400 -2.90044 10.4348 -37.6984 0.236754 39.4054 -79.0895 -38.9322 -74.9212 -188.745 PRESSAVG: 1889400 29.1586 34.5051 42.2361 34.5051 19.474 -37.5604 42.236 -37.5604 -61.5878 GPRESSAVG: 1889400 27.6534 36.3441 40.0374 33.8006 19.4603 -37.4591 43.7466 -37.3213 -59.8338 TIMING: 1889400 CPU: 5478.16, 0.0029182/step Wall: 5478.16, 0.0029182/step, 2.52149 hours remaining, 209.765625 MB of memory in use. ENERGY: 1889400 735.0714 2176.8494 1939.4126 111.3957 -206142.9389 17735.7865 0.0000 0.0000 34029.1635 -149415.2598 297.1851 -183444.4233 -149315.5062 298.7271 -82.1809 -50.7467 557066.4199 -4.3184 -4.2400 PRESSURE: 1889600 -32.3896 37.4162 -52.3012 37.4158 -52.9598 70.1356 -52.3018 70.1372 -202.956 GPRESSURE: 1889600 -3.02674 35.5057 -38.809 -28.7016 -34.4535 52.0245 -59.4607 12.234 -152.941 PRESSAVG: 1889600 56.9501 41.3141 -50.2802 41.3142 14.1135 -29.0165 -50.2802 -29.0166 -37.6396 GPRESSAVG: 1889600 57.211 39.8137 -50.019 40.9226 15.4216 -28.6534 -49.8746 -29.1336 -38.6163 TIMING: 1889600 CPU: 5478.74, 0.00289432/step Wall: 5478.74, 0.00289432/step, 2.50069 hours remaining, 209.765625 MB of memory in use. ENERGY: 1889600 740.9589 2144.9241 1940.6612 121.1723 -205953.0390 17704.7734 0.0000 0.0000 33993.4788 -149307.0704 296.8735 -183300.5492 -149219.8477 299.1625 -96.1017 -63.4739 556566.8953 11.1413 11.3388 PRESSURE: 1889800 241.435 93.3967 -221.241 93.3955 -83.0649 113.674 -221.242 113.675 144.672 GPRESSURE: 1889800 250.618 144.252 -210.171 -3.35623 -2.06066 108.8 -278.973 126.198 145.281 PRESSAVG: 1889800 4.03487 6.3593 -125.114 6.35929 -5.17691 44.8648 -125.114 44.8648 -6.44011 GPRESSAVG: 1889800 4.67729 5.93558 -124.825 7.03196 -5.77544 41.964 -126.02 45.9782 -6.68937 TIMING: 1889800 CPU: 5479.31, 0.00289092/step Wall: 5479.31, 0.00289092/step, 2.4976 hours remaining, 209.765625 MB of memory in use. ENERGY: 1889800 749.4089 2152.8616 1941.8585 108.9720 -206272.0393 17899.5843 0.0000 0.0000 34175.7740 -149243.5800 298.4655 -183419.3540 -149147.4758 299.1997 101.0141 131.2796 556683.2112 -2.5274 -2.5958 PRESSURE: 1890000 -298.106 59.0335 22.0142 59.0333 -93.9773 111.625 22.0143 111.626 -295.394 GPRESSURE: 1890000 -340.46 -12.4023 70.892 40.5946 34.6346 116.174 5.03234 60.0479 -290.927 PRESSAVG: 1890000 -51.9051 25.654 -44.3899 25.6539 4.44265 12.491 -44.3897 12.4909 27.2442 GPRESSAVG: 1890000 -51.8032 25.6248 -43.3563 25.0528 4.82749 14.1562 -45.7508 11.3539 27.35 TIMING: 1890000 CPU: 5479.89, 0.00289332/step Wall: 5479.89, 0.00289332/step, 2.49951 hours remaining, 209.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1890000 771.0619 2072.4256 1956.3110 116.0889 -206155.6661 17631.0262 0.0000 0.0000 34506.1204 -149102.6322 301.3505 -183608.7526 -149003.3910 299.3599 -229.1592 -198.9175 558110.4439 -6.7394 -6.5419 PRESSURE: 1890200 132.94 -150.312 -11.0597 -150.312 -28.3721 16.8485 -11.0608 16.8491 170.339 GPRESSURE: 1890200 148.295 -36.7159 3.75135 -50.3381 28.727 -12.5734 -19.1126 -2.45712 204.8 PRESSAVG: 1890200 30.4778 -58.7929 -7.3094 -58.793 -29.7368 6.68672 -7.30929 6.6867 14.5121 GPRESSAVG: 1890200 28.9258 -57.5249 -9.14181 -58.5899 -28.7093 8.72783 -5.44109 5.5378 15.5771 TIMING: 1890200 CPU: 5480.47, 0.002889/step Wall: 5480.47, 0.002889/step, 2.49562 hours remaining, 209.765625 MB of memory in use. ENERGY: 1890200 776.7587 2051.6949 1962.7196 103.5611 -206389.4572 17978.8268 0.0000 0.0000 34457.3850 -149058.5110 300.9249 -183515.8960 -148962.1983 300.3265 91.6354 127.2741 558392.6199 5.0844 5.2645 PRESSURE: 1890400 60.1253 -76.4086 89.7481 -76.4079 82.1795 3.47227 89.7481 3.47194 52.8752 GPRESSURE: 1890400 89.4592 -90.8432 132.43 -25.7698 121.345 -111.061 30.8536 71.6462 91.5566 PRESSAVG: 1890400 -0.14676 -32.0674 19.4882 -32.0674 42.7262 -40.9202 19.4883 -40.9201 -29.7314 GPRESSAVG: 1890400 2.36434 -32.5851 19.7455 -32.5288 41.0709 -43.7978 18.4787 -38.4465 -31.1848 TIMING: 1890400 CPU: 5481.05, 0.00289567/step Wall: 5481.05, 0.00289567/step, 2.50121 hours remaining, 209.765625 MB of memory in use. ENERGY: 1890400 732.1997 2107.5982 1948.6345 115.7312 -206327.8203 18009.2767 0.0000 0.0000 34274.9733 -149139.4067 299.3319 -183414.3800 -149044.5054 299.7704 65.0600 100.7869 557885.7252 4.2827 4.0835 PRESSURE: 1890600 88.2207 -106.342 -0.631949 -106.341 46.0199 71.9581 -0.631648 71.9553 66.233 GPRESSURE: 1890600 139.821 -68.2983 9.36828 -56.0683 62.4565 73.4881 44.6854 137.705 95.8145 PRESSAVG: 1890600 66.6976 -6.06872 -10.3071 -6.06863 -14.8027 51.011 -10.3071 51.011 -52.9615 GPRESSAVG: 1890600 65.85 -7.35262 -10.311 -4.49555 -14.3538 52.3358 -10.6375 48.4332 -52.9621 TIMING: 1890600 CPU: 5481.63, 0.0028954/step Wall: 5481.63, 0.0028954/step, 2.50082 hours remaining, 209.765625 MB of memory in use. ENERGY: 1890600 776.1594 2067.0127 1991.3203 115.1586 -206394.4362 17972.7200 0.0000 0.0000 34432.3844 -149039.6810 300.7066 -183472.0654 -148947.8263 299.5242 66.8245 99.3640 557860.5659 -0.3556 -0.4886 PRESSURE: 1890800 -8.53509 60.2843 17.9171 60.2845 91.019 -73.8082 17.9178 -73.8079 211.438 GPRESSURE: 1890800 52.5602 6.95552 -9.50821 51.7825 110.992 -42.3753 8.14777 -9.72988 228.19 PRESSAVG: 1890800 -17.0499 5.10105 -27.3464 5.1009 66.5353 -14.1294 -27.3463 -14.1294 -32.4217 GPRESSAVG: 1890800 -18.2394 6.74307 -25.542 4.45396 67.2452 -13.6344 -26.9176 -13.0065 -31.9927 TIMING: 1890800 CPU: 5482.2, 0.00287949/step Wall: 5482.2, 0.00287949/step, 2.48692 hours remaining, 209.765625 MB of memory in use. ENERGY: 1890800 772.5821 2121.8984 1968.8586 113.7079 -206226.1459 18004.0322 0.0000 0.0000 34170.0223 -149075.0443 298.4153 -183245.0666 -148975.9672 299.1610 97.9740 130.5808 558699.2977 5.6879 5.6710 PRESSURE: 1891000 -264.063 -47.4275 -53.062 -47.4268 74.0854 224.503 -53.0619 224.503 -90.6382 GPRESSURE: 1891000 -204.391 -45.5569 -116.09 -97.9296 95.4828 244.13 -50.4502 229.116 -65.828 PRESSAVG: 1891000 37.9853 -55.091 -10.9139 -55.091 -22.1312 1.61249 -10.9139 1.6125 9.34067 GPRESSAVG: 1891000 38.8647 -55.8393 -13.6006 -56.2798 -23.8944 0.28973 -12.2759 0.878304 9.8205 TIMING: 1891000 CPU: 5482.78, 0.00289087/step Wall: 5482.78, 0.00289087/step, 2.49659 hours remaining, 209.765625 MB of memory in use. ENERGY: 1891000 775.3074 2104.5395 1986.0249 116.9906 -206074.5731 17802.1751 0.0000 0.0000 34089.9379 -149199.5976 297.7159 -183289.5355 -149109.6823 299.2361 -93.5386 -58.2456 559088.3947 8.3983 8.2636 PRESSURE: 1891200 -160.76 -179.537 -40.8441 -179.536 -139.679 16.3677 -40.8445 16.3693 15.6798 GPRESSURE: 1891200 -176.143 -132.16 -50.2453 -148.204 -65.678 -77.8207 31.6421 20.2035 54.9262 PRESSAVG: 1891200 -17.117 11.7893 18.4294 11.7894 29.8037 -18.8143 18.4294 -18.8144 55.9462 GPRESSAVG: 1891200 -18.0602 12.1581 19.4884 11.893 31.5683 -20.8105 19.5003 -16.6825 55.2039 TIMING: 1891200 CPU: 5483.36, 0.00290368/step Wall: 5483.36, 0.00290368/step, 2.50749 hours remaining, 209.765625 MB of memory in use. ENERGY: 1891200 746.9558 2028.1625 1985.9075 102.7617 -205715.6064 17729.2153 0.0000 0.0000 34032.7299 -149089.8737 297.2163 -183122.6036 -148982.9328 299.3949 -94.9197 -62.2984 559755.9513 22.8776 22.9040 PRESSURE: 1891400 -112.683 145.863 -18.0547 145.863 -185.238 -34.8114 -18.0556 -34.8112 -140.13 GPRESSURE: 1891400 -32.0049 146.049 16.5505 106.292 -148.212 39.2753 -29.2931 -75.9923 -165.795 PRESSAVG: 1891400 -55.5237 -56.5658 13.0608 -56.5656 -5.25557 22.2774 13.0608 22.2773 36.8761 GPRESSAVG: 1891400 -54.4093 -55.3161 13.789 -55.7147 -6.32067 25.0929 11.5071 19.9207 36.256 TIMING: 1891400 CPU: 5483.94, 0.00288874/step Wall: 5483.94, 0.00288874/step, 2.49443 hours remaining, 209.765625 MB of memory in use. ENERGY: 1891400 777.6529 2032.1364 1953.2026 120.0974 -205979.4785 17717.0174 0.0000 0.0000 34256.0863 -149123.2856 299.1669 -183379.3719 -149018.9903 298.9884 -146.0166 -115.3375 559319.8198 -7.9677 -8.1580 PRESSURE: 1891600 15.0825 -103.624 12.1406 -103.622 -79.4459 -155.312 12.1403 -155.31 192.254 GPRESSURE: 1891600 40.9319 -44.8111 15.9274 -167.067 -18.9211 -150.868 62.7091 -113.171 198.163 PRESSAVG: 1891600 -54.82 1.02326 -42.2735 1.0233 -32.1835 -58.0912 -42.2735 -58.0913 83.9493 GPRESSAVG: 1891600 -54.4145 -0.435552 -43.765 -0.0039761 -32.7531 -59.2003 -40.5718 -59.3277 84.0562 TIMING: 1891600 CPU: 5484.52, 0.00289339/step Wall: 5484.52, 0.00289339/step, 2.49828 hours remaining, 209.765625 MB of memory in use. ENERGY: 1891600 759.6134 2039.3433 1987.4969 100.0693 -206403.0011 17909.7608 0.0000 0.0000 34393.7275 -149212.9899 300.3690 -183606.7173 -149105.7140 299.1270 42.6304 73.3913 557650.7846 -1.0181 -1.0371 PRESSURE: 1891800 -296.687 -28.4577 16.2507 -28.457 49.1131 -78.8661 16.2496 -78.8648 -136.066 GPRESSURE: 1891800 -218.061 -29.2321 75.2295 -52.8438 35.1287 -69.8507 25.1364 -132.548 -97.5331 PRESSAVG: 1891800 -62.7868 15.5911 -32.8886 15.591 5.29021 -66.2105 -32.8886 -66.2103 16.609 GPRESSAVG: 1891800 -64.8833 15.7093 -31.7778 17.0061 6.18204 -65.7717 -32.1119 -65.3663 17.7253 TIMING: 1891800 CPU: 5485.1, 0.00288915/step Wall: 5485.1, 0.00288915/step, 2.49446 hours remaining, 209.765625 MB of memory in use. ENERGY: 1891800 776.6263 2092.7217 1977.1789 120.4893 -206011.3981 17647.1596 0.0000 0.0000 34146.8353 -149250.3871 298.2128 -183397.2223 -149159.5405 299.8479 -127.8799 -93.4885 557193.0446 -13.6292 -13.6587 PRESSURE: 1892000 -204.365 -118.661 -77.0586 -118.66 -149.41 40.5245 -77.0581 40.5242 -69.3259 GPRESSURE: 1892000 -158.958 -84.7546 -89.2283 -142.827 -87.2416 18.4444 -18.3348 -11.7232 -74.6396 PRESSAVG: 1892000 -9.64334 1.01803 -24.3776 1.01808 87.2933 -24.8613 -24.3775 -24.8613 -56.4668 GPRESSAVG: 1892000 -7.37474 3.10422 -23.6127 -1.05419 86.7305 -25.1703 -25.0034 -22.9799 -57.5734 TIMING: 1892000 CPU: 5485.68, 0.00288888/step Wall: 5485.68, 0.00288888/step, 2.49407 hours remaining, 209.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1892000 752.7556 2041.1074 2002.6245 119.6716 -205885.7910 17610.1498 0.0000 0.0000 34021.2966 -149338.1855 297.1164 -183359.4821 -149239.9576 299.1933 -141.0338 -106.9465 556937.0330 7.0610 7.2608 PRESSURE: 1892200 -78.0955 -6.02135 5.60177 -6.02115 115.565 24.0179 5.60166 24.0165 -296.538 GPRESSURE: 1892200 -55.6803 76.9577 77.3498 -79.8967 174.811 16.5283 44.4491 90.2937 -285.636 PRESSAVG: 1892200 -34.6202 -25.0161 23.2023 -25.0161 95.4647 18.331 23.2023 18.3309 -16.6892 GPRESSAVG: 1892200 -35.9142 -26.1605 22.6526 -22.5668 96.3536 18.9496 23.6933 17.0038 -16.4758 TIMING: 1892200 CPU: 5486.26, 0.00290659/step Wall: 5486.26, 0.00290659/step, 2.50919 hours remaining, 209.765625 MB of memory in use. ENERGY: 1892200 717.7718 2042.2861 1954.5799 117.0361 -205794.4590 17518.3804 0.0000 0.0000 34216.5636 -149227.8411 298.8218 -183444.4047 -149127.2160 299.2370 -86.3561 -55.5019 557461.6086 14.7184 14.6545 LDB: ============= START OF LOAD BALANCING ============== 5489.64 LDB: ============== END OF LOAD BALANCING =============== 5489.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5489.64 LDB: ============= START OF LOAD BALANCING ============== 5489.93 LDB: Largest compute 4820 load 0.027029 is 22.9% of average load 0.117915 LDB: Average compute 0.001731 is 1.5% of average load 0.117915 LDB: TIME 5489.94 LOAD: AVG 0.117915 MAX 0.181311 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.047 MB LDB: TIME 5489.94 LOAD: AVG 0.117915 MAX 0.181311 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: TIME 5489.94 LOAD: AVG 0.117915 MAX 0.181311 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: ============== END OF LOAD BALANCING =============== 5489.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5489.94 PRESSURE: 1892400 81.7935 -49.3468 -120.395 -49.3465 -260.796 12.7924 -120.395 12.7922 2.1945 GPRESSURE: 1892400 115.14 -81.0785 -92.2231 -6.62675 -184.377 -26.151 -93.9359 -14.2002 -10.4962 PRESSAVG: 1892400 -23.2612 27.1506 -12.1262 27.1506 9.96673 25.5842 -12.1263 25.5842 -17.1956 GPRESSAVG: 1892400 -21.6821 26.5819 -12.6572 25.825 8.95583 25.2334 -10.5149 24.5261 -17.5703 TIMING: 1892400 CPU: 5486.85, 0.00295087/step Wall: 5486.85, 0.00295087/step, 2.54726 hours remaining, 208.429688 MB of memory in use. ENERGY: 1892400 786.3732 2095.8065 1975.7476 114.2386 -206354.8115 17817.9149 0.0000 0.0000 34234.4804 -149330.2503 298.9782 -183564.7307 -149231.4739 298.6229 -58.9361 -26.5780 557113.8224 -10.1634 -10.0988 PRESSURE: 1892600 -190.658 -58.9359 24.3687 -58.9359 -6.55345 -166.713 24.3688 -166.714 -165.341 GPRESSURE: 1892600 -138.578 -96.4966 33.1081 -5.2567 38.1284 -145.203 -5.73718 -134.161 -162.022 PRESSAVG: 1892600 17.0659 6.82704 44.604 6.82709 33.0705 3.95297 44.6041 3.95294 -31.7166 GPRESSAVG: 1892600 16.0104 8.43024 47.0185 7.84899 34.2993 3.71732 43.6087 3.31432 -31.1661 TIMING: 1892600 CPU: 5487.43, 0.0028958/step Wall: 5487.43, 0.0028958/step, 2.49956 hours remaining, 208.886719 MB of memory in use. ENERGY: 1892600 780.4028 2015.2460 1974.7419 120.6332 -206078.7030 17920.7095 0.0000 0.0000 34083.2312 -149183.7384 297.6573 -183266.9696 -149081.6620 298.1713 -120.8507 -87.4904 559893.3419 6.1399 6.3812 PRESSURE: 1892800 99.5161 23.6784 -28.6086 23.6792 -175.528 6.57344 -28.6091 6.57439 -114.833 GPRESSURE: 1892800 126.81 36.643 43.9635 67.5165 -145.401 -12.7047 0.0448346 5.98298 -76.6877 PRESSAVG: 1892800 -31.4942 13.2376 -8.4309 13.2375 49.7711 -21.1102 -8.43097 -21.1102 6.08343 GPRESSAVG: 1892800 -31.5167 11.5237 -8.69022 13.2641 49.1571 -22.3732 -9.93781 -21.004 7.04379 TIMING: 1892800 CPU: 5488, 0.00287973/step Wall: 5488, 0.00287973/step, 2.48553 hours remaining, 208.886719 MB of memory in use. ENERGY: 1892800 720.5082 2066.5342 1971.4532 111.0255 -206203.2619 17704.0860 0.0000 0.0000 34512.9693 -149116.6855 301.4103 -183629.6549 -149010.2322 298.9536 -63.6149 -31.7594 558258.0226 8.1201 8.2281 PRESSURE: 1893000 -259.877 -183.613 15.0171 -183.614 -259.2 5.16567 15.017 5.16762 -74.6593 GPRESSURE: 1893000 -260.312 -205.008 -35.88 -129.561 -163.335 -16.9984 46.747 60.02 -83.5204 PRESSAVG: 1893000 56.6792 17.674 -4.95246 17.674 58.6181 21.64 -4.95251 21.6401 -94.0761 GPRESSAVG: 1893000 58.2656 16.3249 -5.95889 17.4623 58.9947 22.0836 -5.94281 23.3382 -95.0605 TIMING: 1893000 CPU: 5488.58, 0.00288555/step Wall: 5488.58, 0.00288556/step, 2.49039 hours remaining, 208.886719 MB of memory in use. ENERGY: 1893000 710.8618 2115.1210 1975.5105 117.4459 -205685.8480 17370.2772 0.0000 0.0000 34074.2564 -149322.3752 297.5790 -183396.6317 -149225.8585 298.8913 -197.9122 -169.0556 558459.7120 7.0737 7.3999 PRESSURE: 1893200 -73.4073 -133.258 2.36064 -133.257 265.564 -23.7126 2.36004 -23.7141 154.489 GPRESSURE: 1893200 -40.073 -111.86 64.3655 -181.122 275.277 -62.9483 -117.13 -27.3781 209.974 PRESSAVG: 1893200 -32.2475 7.91842 25.221 7.91834 57.1042 24.3352 25.2211 24.3352 -11.3162 GPRESSAVG: 1893200 -32.2101 9.73751 24.2254 7.89487 57.6785 25.6189 24.3559 23.6756 -11.8127 TIMING: 1893200 CPU: 5489.16, 0.00289424/step Wall: 5489.16, 0.00289424/step, 2.49773 hours remaining, 208.949219 MB of memory in use. ENERGY: 1893200 714.8721 2051.3294 1963.9758 121.2947 -206393.1733 17986.3540 0.0000 0.0000 34316.1392 -149239.2081 299.6914 -183555.3473 -149131.6914 299.1647 115.5487 148.3926 556727.2156 4.5135 4.5519 PRESSURE: 1893400 -139.482 49.856 101.007 49.8563 -63.9276 127.467 101.006 127.467 242.258 GPRESSURE: 1893400 -18.777 113.682 114.267 16.3463 -36.1846 91.6597 17.1616 49.1322 195.932 PRESSAVG: 1893400 -41.2151 -2.57754 26.3823 -2.57757 28.7196 0.104421 26.3823 0.104317 7.8189 GPRESSAVG: 1893400 -41.9442 -0.912306 27.5343 -3.09712 28.094 -0.975033 26.3613 1.52105 8.48142 TIMING: 1893400 CPU: 5489.74, 0.00289703/step Wall: 5489.74, 0.00289703/step, 2.49997 hours remaining, 208.949219 MB of memory in use. ENERGY: 1893400 738.6528 2107.0885 1931.9351 117.7917 -206306.6122 17835.7059 0.0000 0.0000 34166.5171 -149408.9210 298.3847 -183575.4380 -149307.0096 298.9195 12.9495 46.9902 557365.5048 -1.5589 -1.7896 PRESSURE: 1893600 -87.984 -6.10498 -31.0226 -6.10461 61.0578 -68.5268 -31.0225 -68.5259 105.748 GPRESSURE: 1893600 -66.9 -13.947 47.1299 72.7173 94.4107 -61.2211 -52.0306 -72.2222 142.544 PRESSAVG: 1893600 -59.7027 10.644 2.58592 10.644 13.382 -43.2688 2.5859 -43.2687 13.4845 GPRESSAVG: 1893600 -60.0977 9.65679 3.85156 11.1502 14.1635 -41.7778 4.25702 -43.2755 13.0393 TIMING: 1893600 CPU: 5490.32, 0.00289458/step Wall: 5490.32, 0.00289458/step, 2.4977 hours remaining, 208.949219 MB of memory in use. ENERGY: 1893600 724.6163 2108.7154 1952.7457 117.6497 -206144.3150 17757.8122 0.0000 0.0000 34310.9177 -149171.8581 299.6458 -183482.7758 -149078.2900 299.0205 26.2740 56.6850 556647.1960 -10.9454 -10.9650 PRESSURE: 1893800 -140.728 -165.916 25.2558 -165.917 -124.999 -31.3728 25.2568 -31.3736 -426.837 GPRESSURE: 1893800 -108.148 -139.955 33.8165 -181.744 -101.151 -142.004 -36.9303 -25.6385 -373.263 PRESSAVG: 1893800 -60.0423 -5.00679 52.1034 -5.00678 5.49284 8.55391 52.1034 8.55392 13.878 GPRESSAVG: 1893800 -59.7756 -6.57929 51.597 -5.87754 5.03823 7.04555 52.6158 5.19877 14.1106 TIMING: 1893800 CPU: 5490.9, 0.00293172/step Wall: 5490.9, 0.00293172/step, 2.52959 hours remaining, 208.949219 MB of memory in use. ENERGY: 1893800 732.7413 2043.3727 1961.5033 120.4900 -206071.3727 17633.1311 0.0000 0.0000 34226.7389 -149353.3951 298.9106 -183580.1341 -149251.1695 299.3033 -230.8545 -194.1871 557912.7862 -13.5571 -13.5423 PRESSURE: 1894000 -17.345 96.3471 -152.487 96.3466 -4.32753 -105.708 -152.486 -105.709 87.8035 GPRESSURE: 1894000 54.1061 66.7228 -164.071 163.188 5.74642 -82.2493 -94.6914 -95.9644 106.602 PRESSAVG: 1894000 -17.9904 -15.1077 -4.7692 -15.1078 3.28538 -24.7129 -4.76914 -24.7128 13.5969 GPRESSAVG: 1894000 -16.6176 -13.8467 -5.54539 -15.0676 2.28662 -24.5636 -5.15282 -22.0804 13.6216 TIMING: 1894000 CPU: 5491.49, 0.00293686/step Wall: 5491.49, 0.00293686/step, 2.53386 hours remaining, 208.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1894000 731.1118 2058.7759 2000.5545 99.3319 -206344.3493 17913.9673 0.0000 0.0000 34258.7568 -149281.8512 299.1902 -183540.6080 -149183.8703 299.2865 22.0437 55.4849 557425.2116 -0.3693 -0.2365 PRESSURE: 1894200 -207.946 117.184 -47.3469 117.182 -263.45 71.7126 -47.3487 71.713 -216.158 GPRESSURE: 1894200 -209.231 41.007 -64.9913 120.855 -176.894 13.381 -81.5122 29.1478 -204.164 PRESSAVG: 1894200 31.0371 61.9075 -4.22816 61.9075 -26.4932 17.1676 -4.2282 17.1676 -36.0882 GPRESSAVG: 1894200 30.3352 61.6354 -4.57328 61.5565 -24.8197 18.3138 -2.55068 17.096 -36.4051 TIMING: 1894200 CPU: 5492.07, 0.00290154/step Wall: 5492.07, 0.00290154/step, 2.50322 hours remaining, 208.949219 MB of memory in use. ENERGY: 1894200 786.4427 2087.1972 1988.1131 116.0115 -205919.7741 17517.6284 0.0000 0.0000 34210.4013 -149213.9798 298.7679 -183424.3812 -149117.8103 299.0629 -229.1850 -196.7631 558064.7428 -10.5148 -10.2965 PRESSURE: 1894400 -176.467 -2.35916 -90.2182 -2.35905 2.151 85.7563 -90.2178 85.7582 -233.336 GPRESSURE: 1894400 -119.147 23.5151 -98.3631 68.8595 15.818 -5.78346 -46.8549 116.826 -210.019 PRESSAVG: 1894400 52.667 9.48089 9.25266 9.48094 1.97531 -25.5719 9.25268 -25.572 -18.7532 GPRESSAVG: 1894400 53.3108 11.7118 12.4134 9.73279 1.72169 -28.5774 6.14416 -23.6939 -19.0608 TIMING: 1894400 CPU: 5492.65, 0.00289727/step Wall: 5492.65, 0.00289727/step, 2.49938 hours remaining, 208.949219 MB of memory in use. ENERGY: 1894400 747.2560 2093.7880 1977.5316 115.0423 -206131.7906 17761.7383 0.0000 0.0000 34210.7846 -149225.6498 298.7713 -183436.4344 -149128.1505 299.3547 -135.8843 -104.4493 557631.9378 11.9630 11.9906 PRESSURE: 1894600 -2.34059 -76.0901 80.3757 -76.089 -147.528 2.22196 80.3757 2.22093 50.9 GPRESSURE: 1894600 50.7361 -51.1869 55.1758 -80.3485 -37.1505 93.4774 89.7119 -36.7524 -15.927 PRESSAVG: 1894600 9.18687 -30.0883 22.0841 -30.0884 18.9326 -21.2566 22.0842 -21.2567 -34.2979 GPRESSAVG: 1894600 8.31918 -31.1429 19.7258 -29.0039 18.5308 -17.8866 23.011 -22.5999 -32.2616 TIMING: 1894600 CPU: 5493.24, 0.00293045/step Wall: 5493.24, 0.00293045/step, 2.52784 hours remaining, 208.949219 MB of memory in use. ENERGY: 1894600 765.9847 2105.6868 1958.2422 114.9741 -206641.8550 18095.1638 0.0000 0.0000 34168.0398 -149433.7636 298.3980 -183601.8033 -149346.7215 298.3371 -32.9896 -0.7805 557934.2619 -2.0595 -1.8039 PRESSURE: 1894800 75.1635 111.805 -131.703 111.806 187.364 -295.232 -131.703 -295.232 259.941 GPRESSURE: 1894800 90.1816 113.803 -142.108 151.038 215.552 -286.636 -96.7569 -263.653 325.747 PRESSAVG: 1894800 -80.1817 -1.3752 -6.9705 -1.37517 -59.8512 44.5689 -6.97041 44.5688 128.439 GPRESSAVG: 1894800 -78.8888 -1.83642 -5.30164 -1.52667 -59.7067 42.3598 -6.59685 45.5716 127.761 TIMING: 1894800 CPU: 5493.82, 0.00291886/step Wall: 5493.82, 0.00291886/step, 2.51768 hours remaining, 208.949219 MB of memory in use. ENERGY: 1894800 774.5361 2069.1215 1967.2135 109.4500 -206507.3641 18146.8568 0.0000 0.0000 34211.9121 -149228.2740 298.7811 -183440.1862 -149127.3891 298.8301 174.1562 210.4935 558212.5698 -3.8647 -3.6114 PRESSURE: 1895000 13.4818 154.048 -25.0494 154.048 -284.884 48.1547 -25.05 48.152 -99.6924 GPRESSURE: 1895000 -15.273 50.3758 -42.9303 150.261 -200.367 71.4114 -36.3823 -0.422918 -59.8038 PRESSAVG: 1895000 -89.1726 -8.34794 7.74463 -8.34798 -58.3662 -42.369 7.74462 -42.3691 105.87 GPRESSAVG: 1895000 -89.687 -11.1007 7.3738 -7.71058 -58.6518 -42.5165 7.20993 -43.2661 106.198 TIMING: 1895000 CPU: 5494.4, 0.00288475/step Wall: 5494.4, 0.00288475/step, 2.4881 hours remaining, 208.949219 MB of memory in use. ENERGY: 1895000 758.2861 2034.0921 1982.8944 118.8026 -205802.7998 17548.8668 0.0000 0.0000 34234.6202 -149125.2376 298.9795 -183359.8578 -149035.2813 299.2421 -123.6982 -91.8147 558415.7300 -13.8896 -14.0468 PRESSURE: 1895200 -95.3499 44.4047 -29.3463 44.4058 -9.2482 -278.975 -29.3463 -278.975 233.549 GPRESSURE: 1895200 -69.1696 96.7842 -17.3123 -3.91062 1.69039 -327.495 -11.3196 -230.358 287.814 PRESSAVG: 1895200 -39.2067 11.5076 -70.9419 11.5076 -15.0692 5.15865 -70.9418 5.15872 52.3732 GPRESSAVG: 1895200 -39.5206 15.7801 -72.8638 11.9151 -14.3448 5.14334 -69.441 5.05672 51.4874 TIMING: 1895200 CPU: 5494.98, 0.00290165/step Wall: 5494.98, 0.00290165/step, 2.50251 hours remaining, 208.949219 MB of memory in use. ENERGY: 1895200 727.2709 2089.0697 1971.3109 120.4966 -205998.6976 17761.2544 0.0000 0.0000 34227.9829 -149101.3122 298.9215 -183329.2951 -149013.3797 299.5581 42.9837 73.4448 558596.7892 -0.6342 -0.7927 PRESSURE: 1895400 29.5934 -45.823 196.923 -45.8231 -11.3174 82.9908 196.923 82.9897 11.9381 GPRESSURE: 1895400 32.6753 -59.2236 142.722 -44.0131 96.094 83.6134 116.887 107.779 -2.29009 PRESSAVG: 1895400 -72.2052 9.9943 -65.1612 9.99421 7.55323 -75.3815 -65.1611 -75.3814 110.482 GPRESSAVG: 1895400 -71.6219 9.23157 -65.0462 9.09216 6.83699 -73.2025 -64.5697 -76.6145 109.975 TIMING: 1895400 CPU: 5495.55, 0.00289183/step Wall: 5495.55, 0.00289183/step, 2.49388 hours remaining, 208.949219 MB of memory in use. ENERGY: 1895400 735.6850 2094.6122 1948.1067 107.2900 -206136.7672 17980.1864 0.0000 0.0000 34236.2642 -149034.6227 298.9938 -183270.8870 -148935.2802 299.6570 10.0713 42.1597 558126.3252 15.2768 15.0634 PRESSURE: 1895600 -238.256 -55.0439 -133.666 -55.0438 185.848 -130.385 -133.665 -130.385 -163.816 GPRESSURE: 1895600 -181.832 -82.4245 -26.494 -54.0789 205.79 -135.132 -218.534 -54.241 -141.429 PRESSAVG: 1895600 -18.7028 -52.6443 -23.7277 -52.6443 45.3668 29.1313 -23.7277 29.1312 30.1968 GPRESSAVG: 1895600 -18.7387 -54.0937 -23.6004 -54.1779 45.3088 28.8147 -24.6614 30.8487 30.2892 TIMING: 1895600 CPU: 5496.13, 0.00288713/step Wall: 5496.13, 0.00288713/step, 2.48966 hours remaining, 208.949219 MB of memory in use. ENERGY: 1895600 743.7774 2057.2720 1951.4811 114.1278 -206177.8172 17830.5848 0.0000 0.0000 34384.1713 -149096.4029 300.2855 -183480.5742 -148997.4916 300.2329 -72.0747 -39.1567 559679.3905 18.9536 18.9531 PRESSURE: 1895800 -191.783 -10.935 123.229 -10.9352 -171.081 -101.122 123.229 -101.121 -56.681 GPRESSURE: 1895800 -222.553 66.8129 133.913 -49.0031 -95.2106 -90.1321 171.683 -162.812 1.44316 PRESSAVG: 1895800 -68.5148 8.05769 -13.6623 8.05783 32.7164 13.48 -13.6624 13.48 39.4219 GPRESSAVG: 1895800 -70.466 7.23551 -10.7909 10.2924 34.5238 14.3891 -15.2126 12.5723 39.7064 TIMING: 1895800 CPU: 5496.71, 0.00288443/step Wall: 5496.71, 0.00288443/step, 2.48718 hours remaining, 208.949219 MB of memory in use. ENERGY: 1895800 727.9488 2045.2811 2000.9061 112.9015 -206015.2362 17584.6499 0.0000 0.0000 34437.2269 -149106.3219 300.7489 -183543.5489 -149012.1438 300.4760 -139.8483 -105.4403 558785.4623 1.2078 1.2547 PRESSURE: 1896000 -320.791 -9.62582 172.487 -9.62562 18.3333 -52.6211 172.487 -52.621 196.814 GPRESSURE: 1896000 -227.846 -27.4714 212.01 85.1542 48.9092 -87.0393 139.292 -49.4831 169.159 PRESSAVG: 1896000 -42.3422 -32.3016 39.4424 -32.3016 5.67983 -0.983951 39.4425 -0.983891 59.5099 GPRESSAVG: 1896000 -40.2201 -28.9616 36.2775 -35.8221 4.16562 -3.2937 38.9615 -0.201397 59.571 TIMING: 1896000 CPU: 5497.29, 0.00288182/step Wall: 5497.29, 0.00288182/step, 2.48477 hours remaining, 208.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1896000 771.9282 2152.1135 1922.6113 108.9448 -206148.7492 17854.7101 0.0000 0.0000 34228.6773 -149109.7639 298.9276 -183338.4412 -149017.6689 299.4922 -35.2146 -3.2594 557772.5126 7.6159 7.8388 PRESSURE: 1896200 -106.819 12.1797 -137.571 12.1813 -262.466 -20.7466 -137.571 -20.7448 -80.4446 GPRESSURE: 1896200 -94.5923 13.9732 -183.194 -58.9756 -248.454 -24.8772 -168.016 -11.1248 -8.3031 PRESSAVG: 1896200 -41.3914 33.5135 16.6818 33.5135 11.73 36.5082 16.6818 36.508 -0.772092 GPRESSAVG: 1896200 -42.4243 32.7783 16.3795 34.4662 12.644 36.5603 18.4449 37.1714 -0.979798 TIMING: 1896200 CPU: 5497.86, 0.00288911/step Wall: 5497.86, 0.00288911/step, 2.49089 hours remaining, 208.949219 MB of memory in use. ENERGY: 1896200 728.6985 2120.7675 1929.0838 104.5778 -205783.8644 17458.1007 0.0000 0.0000 34231.1233 -149211.5129 298.9489 -183442.6362 -149121.7031 299.3004 -149.9100 -117.1165 557359.3330 -10.1445 -10.2534 LDB: ============= START OF LOAD BALANCING ============== 5501.25 LDB: ============== END OF LOAD BALANCING =============== 5501.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5501.25 LDB: ============= START OF LOAD BALANCING ============== 5501.54 LDB: Largest compute 4820 load 0.024805 is 21.0% of average load 0.117994 LDB: Average compute 0.001733 is 1.5% of average load 0.117994 LDB: TIME 5501.54 LOAD: AVG 0.117994 MAX 0.179605 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.887 MB LDB: TIME 5501.54 LOAD: AVG 0.117994 MAX 0.179605 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: TIME 5501.54 LOAD: AVG 0.117994 MAX 0.179605 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.887 MB LDB: ============== END OF LOAD BALANCING =============== 5501.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5501.55 PRESSURE: 1896400 -246.61 47.8201 65.1331 47.8187 -188.937 -29.3046 65.1332 -29.3052 -141.045 GPRESSURE: 1896400 -216.943 103.695 -45.4513 -28.6779 -165.152 -17.2424 65.6785 -64.1095 -91.9292 PRESSAVG: 1896400 63.4316 -2.1226 31.9918 -2.12256 -38.6181 -48.7846 31.9918 -48.7845 19.6755 GPRESSAVG: 1896400 63.971 -0.315178 33.1473 -2.50243 -39.6611 -48.616 32.8334 -51.8886 19.894 TIMING: 1896400 CPU: 5498.45, 0.00294871/step Wall: 5498.45, 0.00294871/step, 2.54212 hours remaining, 207.585938 MB of memory in use. ENERGY: 1896400 761.8682 2075.5608 1978.6703 127.8523 -206059.1195 17661.7462 0.0000 0.0000 34273.4805 -149179.9411 299.3188 -183453.4216 -149082.5065 299.3210 -192.1973 -158.0080 558061.9471 14.8297 14.7347 PRESSURE: 1896600 -57.5713 91.1392 -215.594 91.1382 -267.297 -44.0974 -215.593 -44.0969 -98.3824 GPRESSURE: 1896600 -47.3398 63.1377 -177.244 14.7119 -251.353 -14.8429 -128.007 -95.3513 -14.8868 PRESSAVG: 1896600 23.8107 1.51818 4.98703 1.51819 -16.0727 -11.8525 4.98708 -11.8524 -12.19 GPRESSAVG: 1896600 23.0759 0.17985 4.83375 2.9204 -15.0486 -10.6842 2.38356 -10.8484 -12.75 TIMING: 1896600 CPU: 5499.03, 0.0028996/step Wall: 5499.03, 0.0028996/step, 2.49962 hours remaining, 207.585938 MB of memory in use. ENERGY: 1896600 774.6261 2061.5595 1945.6085 122.1785 -206070.7641 17723.4360 0.0000 0.0000 34062.0158 -149381.3397 297.4721 -183443.3555 -149278.4328 299.4674 -141.0837 -104.5264 557738.0802 -1.4840 -1.5742 PRESSURE: 1896800 49.2724 86.4982 -34.9807 86.4977 -109.217 17.7985 -34.9807 17.7979 -7.97383 GPRESSURE: 1896800 113.621 104.343 -18.8013 105.204 -85.4064 72.0976 -29.9538 -29.6433 7.65165 PRESSAVG: 1896800 5.91102 -39.9154 -20.9155 -39.9154 -62.3511 -7.93205 -20.9154 -7.93201 33.1007 GPRESSAVG: 1896800 6.78547 -40.3121 -20.7387 -40.3473 -63.2822 -7.84864 -19.4246 -7.38169 32.75 TIMING: 1896800 CPU: 5499.62, 0.0029109/step Wall: 5499.62, 0.0029109/step, 2.50919 hours remaining, 207.585938 MB of memory in use. ENERGY: 1896800 743.5069 2091.6021 1966.6725 111.4097 -206451.0502 17846.2790 0.0000 0.0000 34468.0888 -149223.4912 301.0184 -183691.5801 -149134.1393 299.4344 -22.6393 11.9553 556863.5571 -7.7798 -7.9156 PRESSURE: 1897000 -49.504 -46.155 74.1311 -46.1543 -314.657 129.569 74.1311 129.568 -123.335 GPRESSURE: 1897000 -34.113 -110.367 77.2083 -17.2216 -310.841 141.175 -19.7673 82.6716 -59.6568 PRESSAVG: 1897000 1.5925 -26.2745 -9.68676 -26.2745 -69.8491 -8.6821 -9.68675 -8.68204 80.1989 GPRESSAVG: 1897000 1.45681 -27.4315 -10.4556 -27.6848 -70.6813 -9.39486 -10.7774 -8.58697 80.9081 TIMING: 1897000 CPU: 5500.19, 0.00288479/step Wall: 5500.19, 0.00288479/step, 2.48653 hours remaining, 207.585938 MB of memory in use. ENERGY: 1897000 745.3275 2134.2634 1934.1683 116.9576 -205970.7885 17537.7635 0.0000 0.0000 34181.1259 -149321.1823 298.5123 -183502.3082 -149219.2775 299.0327 -162.4987 -134.8702 558231.9748 3.9808 3.8946 PRESSURE: 1897200 -227.118 78.1738 -28.0602 78.1741 1.22766 59.3279 -28.0607 59.3285 -178.018 GPRESSURE: 1897200 -221.572 87.9791 -49.2384 77.0273 -1.86597 -17.5883 -14.9875 -2.65087 -75.9729 PRESSAVG: 1897200 -18.775 8.759 5.36419 8.75888 -28.9682 -39.7169 5.36422 -39.7169 -1.8174 GPRESSAVG: 1897200 -19.0535 10.8177 4.5578 9.69535 -28.6796 -39.992 6.53303 -40.1746 -2.49372 TIMING: 1897200 CPU: 5500.77, 0.00286698/step Wall: 5500.77, 0.00286698/step, 2.47102 hours remaining, 207.585938 MB of memory in use. ENERGY: 1897200 785.0118 2107.6305 1924.0402 100.4257 -205982.4955 17659.1142 0.0000 0.0000 34222.1934 -149184.0796 298.8709 -183406.2730 -149089.7394 299.4094 -134.6363 -99.8036 558691.4032 -16.5202 -16.7423 PRESSURE: 1897400 -219.228 6.44415 -99.1534 6.44362 -354.708 -169.861 -99.1521 -169.86 -64.7546 GPRESSURE: 1897400 -155.274 -67.8936 -119.892 17.7774 -278.958 -223.741 -91.6158 -102.29 -117.156 PRESSAVG: 1897400 -14.6844 -32.0456 4.12997 -32.0457 13.8582 -33.3408 4.13005 -33.3408 4.41082 GPRESSAVG: 1897400 -14.2402 -32.8319 6.81537 -32.2057 14.4035 -30.9227 2.54219 -34.6707 3.45797 TIMING: 1897400 CPU: 5501.34, 0.00289298/step Wall: 5501.34, 0.00289298/step, 2.49326 hours remaining, 207.585938 MB of memory in use. ENERGY: 1897400 742.7708 2110.6979 1968.0975 118.2199 -205729.0772 17449.3416 0.0000 0.0000 34178.4764 -149161.4731 298.4891 -183339.9494 -149062.9164 299.0112 -212.8969 -183.7962 559441.4696 1.1949 1.2071 PRESSURE: 1897600 233.101 -54.3259 -17.2905 -54.3257 -77.3636 -105.089 -17.2898 -105.087 -50.0663 GPRESSURE: 1897600 272.584 -18.088 -99.8613 -19.4076 -58.9292 -208.801 -49.9249 -52.2847 -19.5117 PRESSAVG: 1897600 -34.0634 1.32248 -18.6471 1.32242 46.7303 33.5961 -18.6471 33.596 -16.4324 GPRESSAVG: 1897600 -34.0811 1.74876 -20.387 1.25915 46.3816 31.22 -16.7582 35.1826 -16.0434 TIMING: 1897600 CPU: 5501.92, 0.00288151/step Wall: 5501.92, 0.00288151/step, 2.48322 hours remaining, 207.585938 MB of memory in use. ENERGY: 1897600 704.4765 2097.3840 1954.4174 110.7751 -206248.0558 17634.8677 0.0000 0.0000 34464.3616 -149281.7734 300.9858 -183746.1350 -149186.1340 299.1555 35.2236 64.7145 557131.7014 -1.2552 -1.2476 PRESSURE: 1897800 -66.028 236.488 -45.4611 236.489 -313.005 -25.6668 -45.4611 -25.6676 16.8764 GPRESSURE: 1897800 -13.6668 175.29 36.2951 244.053 -299.095 -43.6799 -136.31 -28.7743 69.4867 PRESSAVG: 1897800 -9.51125 -17.2453 -41.8679 -17.2453 -8.38938 -16.4515 -41.8679 -16.4514 42.1143 GPRESSAVG: 1897800 -10.6857 -17.5719 -41.1038 -16.3014 -8.32486 -15.1403 -44.2515 -17.5081 44.0287 TIMING: 1897800 CPU: 5502.49, 0.00286076/step Wall: 5502.49, 0.00286076/step, 2.46518 hours remaining, 207.585938 MB of memory in use. ENERGY: 1897800 770.4694 2066.9677 1936.7398 112.6551 -206101.1075 17675.9721 0.0000 0.0000 34245.7628 -149292.5407 299.0768 -183538.3035 -149187.6009 299.3459 -120.7188 -81.0918 556850.7279 8.0712 8.3394 PRESSURE: 1898000 -169.331 16.8758 0.0060702 16.876 84.3628 58.5026 0.00738983 58.5034 -169.095 GPRESSURE: 1898000 -175.032 39.3409 22.0467 35.9839 91.7748 73.5514 -3.4698 97.8805 -77.4107 PRESSAVG: 1898000 -29.4725 21.0962 -25.4956 21.096 -28.0987 18.0863 -25.4956 18.0862 36.6057 GPRESSAVG: 1898000 -29.3256 23.2189 -26.6475 18.6012 -28.0438 16.0367 -22.6964 20.8395 35.627 TIMING: 1898000 CPU: 5503.07, 0.0028798/step Wall: 5503.07, 0.0028798/step, 2.48143 hours remaining, 207.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1898000 754.0387 2022.5171 1937.3112 107.0904 -206373.3847 17779.6233 0.0000 0.0000 34390.3744 -149382.4296 300.3397 -183772.8041 -149287.1092 298.6222 -84.6878 -53.5559 557392.4119 -6.9885 -7.2475 PRESSURE: 1898200 6.48202 -60.9687 106.556 -60.9683 -13.9326 -41.8499 106.554 -41.8521 -200.294 GPRESSURE: 1898200 57.1854 -12.6577 6.09168 -105.811 1.27907 -37.6517 140.818 -21.4301 -163.983 PRESSAVG: 1898200 6.05114 2.47662 25.7282 2.47659 67.7151 30.0571 25.7282 30.0569 -20.5567 GPRESSAVG: 1898200 6.24021 -1.44053 24.7011 5.64842 68.3314 29.8302 23.6305 31.5838 -21.387 TIMING: 1898200 CPU: 5503.64, 0.0028748/step Wall: 5503.64, 0.0028748/step, 2.47696 hours remaining, 207.585938 MB of memory in use. ENERGY: 1898200 714.6054 2097.4369 1964.0840 113.2767 -206032.6824 17577.2185 0.0000 0.0000 34064.5195 -149501.5414 297.4939 -183566.0609 -149406.3277 298.1166 -69.2484 -35.1730 556344.9909 17.7365 17.7282 PRESSURE: 1898400 154.384 -34.0076 40.1854 -34.0077 -92.7708 -61.7213 40.1859 -61.721 -209.234 GPRESSURE: 1898400 172.756 5.74658 45.2685 14.0112 -95.2408 -106.025 -28.4008 -37.5971 -121.548 PRESSAVG: 1898400 -14.6725 -26.5622 14.3623 -26.5622 -1.01485 -13.6593 14.3623 -13.6594 -17.0785 GPRESSAVG: 1898400 -15.0244 -25.0948 15.8073 -27.315 -0.080726 -11.8665 16.1947 -16.5359 -17.0321 TIMING: 1898400 CPU: 5504.22, 0.00289235/step Wall: 5504.22, 0.00289235/step, 2.49192 hours remaining, 207.585938 MB of memory in use. ENERGY: 1898400 755.0922 2088.4447 1921.0494 112.7848 -206191.6472 17761.2348 0.0000 0.0000 34085.4839 -149467.5573 297.6770 -183553.0412 -149361.8927 298.5670 -49.2069 -14.6777 557164.0476 -10.9219 -10.7124 PRESSURE: 1898600 -114.818 47.8183 194.884 47.8175 -164.653 23.0112 194.884 23.0108 -238.144 GPRESSURE: 1898600 -71.6095 70.5534 148.731 70.9095 -144.887 3.60871 177.897 71.1081 -201.386 PRESSAVG: 1898600 -1.1828 22.7563 40.9684 22.7562 57.2477 11.2114 40.9684 11.2114 -22.1802 GPRESSAVG: 1898600 -1.41393 23.5157 41.2092 22.0456 57.3821 10.4064 40.5705 13.7545 -21.9658 TIMING: 1898600 CPU: 5504.8, 0.00288131/step Wall: 5504.8, 0.00288131/step, 2.48225 hours remaining, 207.585938 MB of memory in use. ENERGY: 1898600 752.5817 2068.3348 1935.3919 105.8446 -206136.6485 17526.4678 0.0000 0.0000 34199.4463 -149548.5814 298.6723 -183748.0278 -149449.3787 297.9741 -172.5386 -139.2942 556598.9093 11.2949 11.3341 PRESSURE: 1898800 -227.435 120.303 -20.6697 120.304 -38.4897 -47.8869 -20.67 -47.8872 -114.526 GPRESSURE: 1898800 -145.15 129.448 2.59216 109.193 -75.4225 -74.1417 -12.5531 -51.7073 -60.3609 PRESSAVG: 1898800 -3.11625 58.8275 -50.3971 58.8274 -35.6359 -19.2344 -50.397 -19.2344 53.7577 GPRESSAVG: 1898800 -3.26533 57.4498 -49.5145 58.8428 -35.6431 -19.6098 -50.4049 -19.9507 54.3296 TIMING: 1898800 CPU: 5505.37, 0.0028809/step Wall: 5505.37, 0.0028809/step, 2.48173 hours remaining, 207.585938 MB of memory in use. ENERGY: 1898800 768.8713 2050.4037 1941.8929 114.0193 -206086.5177 17535.9515 0.0000 0.0000 34132.9848 -149542.3941 298.0918 -183675.3789 -149449.0009 297.8225 -126.8171 -93.6445 557044.7142 5.0018 5.1404 PRESSURE: 1899000 -327.744 -0.546031 -49.7116 -0.547078 42.4808 -18.4412 -49.7123 -18.4415 51.4168 GPRESSURE: 1899000 -321.835 -49.5355 -84.2007 -57.3071 110.765 -92.9527 -73.1808 74.6271 68.7069 PRESSAVG: 1899000 40.2216 62.105 -41.7279 62.105 25.1291 -13.701 -41.7279 -13.7011 -2.52859 GPRESSAVG: 1899000 39.8743 61.6362 -42.6177 62.6835 25.5573 -11.9632 -42.2261 -16.0095 -2.33961 TIMING: 1899000 CPU: 5505.95, 0.0028625/step Wall: 5505.95, 0.0028625/step, 2.46573 hours remaining, 207.585938 MB of memory in use. ENERGY: 1899000 739.0840 2074.7183 1947.2866 108.2251 -206430.8960 17820.7746 0.0000 0.0000 34180.3983 -149560.4090 298.5059 -183740.8073 -149461.3341 299.0416 -77.9487 -47.4543 558096.8795 20.9407 21.0306 PRESSURE: 1899200 -85.1076 -13.9463 -6.79129 -13.9461 90.8153 29.8536 -6.78958 29.8538 3.74746 GPRESSURE: 1899200 -27.4288 -7.86962 -21.084 31.6538 112.854 -50.3836 76.2354 107.047 6.36483 PRESSAVG: 1899200 -30.6076 32.8703 -11.2495 32.8703 17.0748 10.3061 -11.2494 10.3061 21.3973 GPRESSAVG: 1899200 -27.0422 32.5481 -11.5655 31.1507 15.7932 8.93938 -9.72809 10.9633 19.1234 TIMING: 1899200 CPU: 5506.52, 0.00287225/step Wall: 5506.52, 0.00287225/step, 2.47396 hours remaining, 207.585938 MB of memory in use. ENERGY: 1899200 761.4848 2101.6811 1936.9375 106.1330 -206789.6053 18025.9376 0.0000 0.0000 34425.7963 -149431.6350 300.6490 -183857.4313 -149333.4588 298.5697 3.1517 30.5967 556634.7258 2.6215 2.6248 PRESSURE: 1899400 -192.067 87.7736 67.7308 87.7731 -20.808 69.2053 67.7311 69.2062 37.5344 GPRESSURE: 1899400 -105.668 121.565 34.0509 -18.6339 30.1794 48.4728 22.7619 125.249 -1.89154 PRESSAVG: 1899400 -90.1889 -18.8797 84.5373 -18.8797 69.3799 45.9989 84.5373 45.9989 -7.39715 GPRESSAVG: 1899400 -92.4963 -18.8117 84.3714 -19.9748 70.4268 47.3068 83.824 46.4853 -6.13641 TIMING: 1899400 CPU: 5507.1, 0.00287688/step Wall: 5507.1, 0.00287688/step, 2.47779 hours remaining, 207.585938 MB of memory in use. ENERGY: 1899400 775.0680 2108.0766 1921.5911 122.2416 -206646.8069 17832.9638 0.0000 0.0000 34407.5968 -149479.2690 300.4901 -183886.8658 -149375.2445 298.6240 -58.4470 -25.7933 556721.8379 -9.4021 -9.4020 PRESSURE: 1899600 -97.8748 -45.9858 -78.3002 -45.9861 -311.868 100.855 -78.2998 100.854 -103.068 GPRESSURE: 1899600 -67.8807 -82.3505 -71.5554 24.3952 -269.977 141.993 -146.516 59.1002 -70.6624 PRESSAVG: 1899600 15.4799 -31.9205 -24.2499 -31.9206 -19.9774 21.8215 -24.2499 21.8215 -17.5413 GPRESSAVG: 1899600 15.5361 -32.4682 -22.803 -29.5588 -20.5019 20.7851 -25.3958 20.2629 -17.0567 TIMING: 1899600 CPU: 5507.68, 0.00289848/step Wall: 5507.68, 0.00289848/step, 2.49624 hours remaining, 207.585938 MB of memory in use. ENERGY: 1899600 738.3773 2105.6034 1955.5383 106.2953 -205961.8348 17464.5947 0.0000 0.0000 34183.9896 -149407.4362 298.5373 -183591.4258 -149312.2383 298.7779 -170.9367 -136.1734 556375.2828 -7.3463 -7.3408 PRESSURE: 1899800 -130.47 -30.8751 -61.6578 -30.8752 258.498 -192.371 -61.6564 -192.369 110.2 GPRESSURE: 1899800 -89.2146 -6.42776 -99.6792 -31.4646 327.779 -173.381 -77.7461 -194.388 112.372 PRESSAVG: 1899800 -27.2756 -58.74 -17.7656 -58.74 39.4474 5.2921 -17.7656 5.29199 15.7182 GPRESSAVG: 1899800 -27.7708 -58.2473 -18.1266 -59.8588 40.0156 5.67044 -17.7776 8.45985 15.3929 TIMING: 1899800 CPU: 5508.25, 0.00288658/step Wall: 5508.25, 0.00288658/step, 2.48583 hours remaining, 207.585938 MB of memory in use. ENERGY: 1899800 762.3551 2117.1187 1940.3909 106.3351 -206287.2378 17963.7560 0.0000 0.0000 34025.5213 -149371.7606 297.1533 -183397.2819 -149277.1179 299.3462 79.4090 116.9787 557272.5715 9.2967 9.2126 PRESSURE: 1900000 106.337 1.61699 59.9979 1.61851 112.244 -110.261 59.9979 -110.263 -155.233 GPRESSURE: 1900000 110.086 33.7885 5.02155 -15.785 109.219 -23.8171 96.2629 -142.523 -59.9647 PRESSAVG: 1900000 54.2385 -12.313 -4.42391 -12.3131 -0.957626 -58.102 -4.42391 -58.1021 -34.2773 GPRESSAVG: 1900000 53.9948 -10.9362 -7.38554 -10.0667 0.556247 -57.4834 -2.34 -61.6116 -35.2435 TIMING: 1900000 CPU: 5508.83, 0.0028832/step Wall: 5508.83, 0.0028832/step, 2.48275 hours remaining, 207.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1900000 772.2582 2101.7118 1928.0380 105.1031 -206267.6835 17878.3996 0.0000 0.0000 34200.4647 -149281.7080 298.6812 -183482.1727 -149181.4991 299.7362 21.1159 53.1134 557724.0598 6.3345 6.4358 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.2.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 -30.8797 -135.265 127.031 -135.266 -183.644 -9.29612 127.031 -9.29565 186.319 GPRESSURE: 1900200 5.57819 -122.14 129.441 -111.913 -141.304 0.0804738 84.6199 -11.8754 202.136 PRESSAVG: 1900200 44.9041 -11.6103 -9.99134 -11.6103 -59.7165 -14.5195 -9.99135 -14.5196 12.8688 GPRESSAVG: 1900200 45.8993 -11.9376 -9.56706 -12.2809 -60.9289 -14.4975 -12.1552 -14.1933 13.0227 TIMING: 1900200 CPU: 5509.42, 0.00296927/step Wall: 5509.42, 0.00296927/step, 2.5567 hours remaining, 207.585938 MB of memory in use. ENERGY: 1900200 742.3680 2064.6399 1959.5056 115.0155 -206096.5712 17749.9848 0.0000 0.0000 34292.5817 -149172.4756 299.4856 -183465.0573 -149072.6978 299.4068 -9.4014 22.1368 557702.1385 -0.6479 -0.6690 LDB: ============= START OF LOAD BALANCING ============== 5512.81 LDB: ============== END OF LOAD BALANCING =============== 5512.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5512.81 LDB: ============= START OF LOAD BALANCING ============== 5513.11 LDB: Largest compute 4820 load 0.026013 is 22.1% of average load 0.117908 LDB: Average compute 0.001733 is 1.5% of average load 0.117908 LDB: TIME 5513.11 LOAD: AVG 0.117908 MAX 0.179856 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.609 MB LDB: TIME 5513.11 LOAD: AVG 0.117908 MAX 0.179856 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.809 MB LDB: TIME 5513.11 LOAD: AVG 0.117908 MAX 0.179856 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.809 MB LDB: ============== END OF LOAD BALANCING =============== 5513.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5513.11 PRESSURE: 1900400 107.878 -13.7272 58.8823 -13.7279 256.676 111.727 58.8813 111.726 189.556 GPRESSURE: 1900400 178.083 50.4479 22.6707 -13.0538 241.407 96.2941 85.5252 98.4391 232.969 PRESSAVG: 1900400 1.86539 -34.6325 29.9559 -34.6326 -29.4616 7.2775 29.9559 7.27758 12.9642 GPRESSAVG: 1900400 2.36333 -34.3984 31.2458 -35.0986 -30.4489 6.28077 32.0865 9.49765 12.8204 TIMING: 1900400 CPU: 5510.02, 0.00297478/step Wall: 5510.02, 0.00297478/step, 2.56129 hours remaining, 208.359375 MB of memory in use. ENERGY: 1900400 735.1664 2069.3962 1939.8567 108.0102 -206550.7975 18229.5001 0.0000 0.0000 34278.5861 -149190.2819 299.3634 -183468.8680 -149094.7993 299.5129 184.7033 217.4860 557930.2496 -4.8773 -5.0884 PRESSURE: 1900600 -217.08 -111.758 17.1632 -111.759 -125.371 0.370247 17.164 0.369613 35.3151 GPRESSURE: 1900600 -185.313 -99.563 80.9475 -94.7434 -104.388 55.5929 -50.1207 -67.824 83.2142 PRESSAVG: 1900600 -10.118 -16.4547 7.38038 -16.4548 15.1062 21.7721 7.3803 21.772 -1.50681 GPRESSAVG: 1900600 -11.549 -18.8799 7.92632 -16.8244 15.7868 22.5007 6.59743 21.2076 -0.861158 TIMING: 1900600 CPU: 5510.6, 0.00288852/step Wall: 5510.6, 0.00288852/step, 2.48686 hours remaining, 208.359375 MB of memory in use. ENERGY: 1900600 720.4113 2076.0294 1953.0308 107.1697 -205871.4400 17629.4408 0.0000 0.0000 34113.0229 -149272.3351 297.9175 -183385.3580 -149174.8843 299.1255 -102.3787 -68.8288 558112.9126 1.1605 1.1256 PRESSURE: 1900800 -57.1446 -62.0276 -111.76 -62.0279 -145.91 32.7397 -111.761 32.7397 -137.485 GPRESSURE: 1900800 41.4877 -68.5433 -70.6284 35.8577 -152.795 -53.7996 -153.307 119.425 -134.096 PRESSAVG: 1900800 17.8438 -23.4608 -31.2629 -23.4607 7.45 44.0395 -31.2629 44.0395 58.5199 GPRESSAVG: 1900800 19.275 -21.4744 -33.1346 -25.408 7.79059 42.3658 -31.3975 44.4138 57.5106 TIMING: 1900800 CPU: 5511.17, 0.00287088/step Wall: 5511.17, 0.00287088/step, 2.47151 hours remaining, 208.359375 MB of memory in use. ENERGY: 1900800 741.0323 2101.3651 1968.1970 112.5149 -206062.6491 17622.4176 0.0000 0.0000 34335.1097 -149182.0125 299.8571 -183517.1223 -149095.7136 299.7815 -113.5131 -81.8012 557163.5504 27.9379 28.1921 PRESSURE: 1901000 -68.9349 -178.421 -140.675 -178.421 29.1152 0.105142 -140.674 0.104949 72.6778 GPRESSURE: 1901000 -113.186 -186.743 -36.9028 -292.34 114.222 52.6062 -108.028 -136.63 117.509 PRESSAVG: 1901000 -15.4446 -7.96022 21.8623 -7.96026 10.033 -2.28186 21.8625 -2.28195 2.86195 GPRESSAVG: 1901000 -15.3589 -8.75279 23.3786 -6.51699 9.35774 0.150294 22.2013 -4.39349 3.37713 TIMING: 1901000 CPU: 5511.75, 0.00287662/step Wall: 5511.75, 0.00287662/step, 2.47629 hours remaining, 208.359375 MB of memory in use. ENERGY: 1901000 749.7640 2101.9538 1949.6921 110.1671 -206273.3299 17606.8043 0.0000 0.0000 34276.2375 -149478.7112 299.3429 -183754.9487 -149383.6759 299.1530 10.9527 39.5153 557179.1214 -0.8499 -0.8747 PRESSURE: 1901200 -18.1598 -116.297 41.6773 -116.298 33.6857 148.976 41.679 148.977 12.6856 GPRESSURE: 1901200 6.1309 -166.055 39.3967 -64.2959 110.327 292.962 46.866 184.808 6.97681 PRESSAVG: 1901200 -62.1481 -33.7085 53.3187 -33.7085 37.9335 34.1018 53.3187 34.1019 -1.15412 GPRESSAVG: 1901200 -62.2629 -32.9049 52.7814 -33.698 38.6544 33.5921 53.3008 37.3972 -1.92412 TIMING: 1901200 CPU: 5512.32, 0.00286956/step Wall: 5512.32, 0.00286956/step, 2.47006 hours remaining, 208.359375 MB of memory in use. ENERGY: 1901200 756.1485 2140.2782 1984.7932 138.6801 -206512.7723 17897.0570 0.0000 0.0000 34297.1452 -149298.6701 299.5255 -183595.8152 -149211.2281 299.0099 9.4038 41.1449 557642.7981 -8.4562 -8.5109 PRESSURE: 1901400 120.996 94.4384 7.39523 94.4391 40.1745 123.324 7.39552 123.325 -281.521 GPRESSURE: 1901400 175.671 103.462 48.0613 213.681 36.4702 60.8613 11.4345 118.359 -222.231 PRESSAVG: 1901400 -31.2378 -15.6668 61.4921 -15.6668 29.8002 0.582415 61.4922 0.582426 -23.4898 GPRESSAVG: 1901400 -31.4949 -16.87 62.0569 -13.7169 29.7478 -0.400279 60.6845 -2.04195 -22.9525 TIMING: 1901400 CPU: 5512.9, 0.00287966/step Wall: 5512.9, 0.00287965/step, 2.47858 hours remaining, 208.359375 MB of memory in use. ENERGY: 1901400 750.4535 2100.7798 1963.3635 108.9682 -206434.9396 17841.3925 0.0000 0.0000 34331.6596 -149338.3225 299.8269 -183669.9821 -149236.3921 299.1908 -40.1169 -3.3632 557397.4540 -8.3091 -8.2332 PRESSURE: 1901600 109.758 -41.043 -104.4 -41.0438 -34.0122 189.905 -104.4 189.905 -247.623 GPRESSURE: 1901600 143.927 -79.1313 -150.959 -9.40704 -27.1667 215.047 -109.367 144.95 -206.636 PRESSAVG: 1901600 3.9409 26.0137 36.1438 26.0137 36.926 23.3092 36.1437 23.3092 -75.9828 GPRESSAVG: 1901600 3.3647 26.4282 33.3493 24.2294 36.8921 22.609 37.2817 24.0228 -75.5722 TIMING: 1901600 CPU: 5513.47, 0.00285181/step Wall: 5513.47, 0.00285181/step, 2.45446 hours remaining, 208.359375 MB of memory in use. ENERGY: 1901600 755.3199 2165.1726 1962.8632 111.9163 -206649.5330 17861.4059 0.0000 0.0000 34518.0190 -149274.8361 301.4544 -183792.8551 -149178.9085 298.9336 -57.2926 -29.9587 556667.1640 -11.7053 -11.7718 PRESSURE: 1901800 40.6687 20.1794 12.8813 20.1798 333.925 -98.5814 12.8812 -98.5808 93.4397 GPRESSURE: 1901800 122.172 66.8363 34.4456 19.6583 321.308 -64.1647 109.935 -114.547 130.725 PRESSAVG: 1901800 -35.1645 36.8213 28.5043 36.8212 14.9864 29.8773 28.5043 29.8773 -10.6124 GPRESSAVG: 1901800 -34.2659 36.422 30.7357 36.8832 13.6964 32.2732 27.6592 27.3842 -10.6025 TIMING: 1901800 CPU: 5514.04, 0.0028791/step Wall: 5514.04, 0.0028791/step, 2.47778 hours remaining, 208.359375 MB of memory in use. ENERGY: 1901800 747.4908 2140.0255 1964.2190 117.6587 -206557.4476 18075.9468 0.0000 0.0000 34249.8116 -149262.2953 299.1121 -183512.1069 -149166.7113 299.5413 156.0110 191.4017 557084.4757 -10.2635 -10.3907 PRESSURE: 1902000 -41.6928 -4.85545 -110.883 -4.85587 -141.565 -125.385 -110.884 -125.387 -259.156 GPRESSURE: 1902000 18.9743 -70.4247 -84.1884 78.3319 -160.009 -158.732 -202.772 -57.2611 -208.646 PRESSAVG: 1902000 -48.134 26.7819 -19.7475 26.7819 16.0371 46.7112 -19.7474 46.7112 46.0403 GPRESSAVG: 1902000 -48.3024 26.6305 -21.285 27.5817 16.7814 45.625 -19.691 50.2545 45.882 TIMING: 1902000 CPU: 5514.62, 0.00289063/step Wall: 5514.62, 0.00289063/step, 2.48754 hours remaining, 208.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1902000 736.6700 2095.9894 1980.4128 112.2105 -205890.0785 17524.7117 0.0000 0.0000 34225.9009 -149214.1831 298.9033 -183440.0840 -149106.5897 299.7116 -147.4712 -116.5603 558476.4026 4.6478 4.7870 PRESSURE: 1902200 31.26 77.0517 -196.542 77.0533 97.8328 25.0288 -196.544 25.0299 -97.084 GPRESSURE: 1902200 73.3971 239.07 -216.69 50.696 105.73 32.0251 -169.699 36.5375 -48.5999 PRESSAVG: 1902200 -28.9197 -19.5038 -64.6096 -19.5038 47.882 9.25342 -64.6097 9.25342 -7.7498 GPRESSAVG: 1902200 -29.5087 -18.2386 -63.7939 -20.1257 49.0462 9.18791 -64.2823 8.53152 -8.00023 TIMING: 1902200 CPU: 5515.2, 0.00288873/step Wall: 5515.2, 0.00288873/step, 2.48575 hours remaining, 208.359375 MB of memory in use. ENERGY: 1902200 753.8489 2130.5885 1937.2553 123.6259 -206332.9770 17834.4334 0.0000 0.0000 34314.2063 -149239.0188 299.6745 -183553.2250 -149145.1391 299.0522 10.6696 43.5090 557613.3308 3.7375 3.8458 PRESSURE: 1902400 34.3307 -118.209 93.7454 -118.211 -67.3445 -49.2305 93.7468 -49.2289 -83.4395 GPRESSURE: 1902400 80.4541 -140.492 24.0809 -132.796 -84.2541 -57.4925 100.839 16.1994 -23.74 PRESSAVG: 1902400 -17.7037 -12.4315 -16.0993 -12.4315 43.9315 28.9715 -16.0993 28.9715 -37.4835 GPRESSAVG: 1902400 -17.927 -12.5797 -17.7729 -14.1693 42.9813 29.9214 -14.1661 26.7301 -35.85 TIMING: 1902400 CPU: 5515.77, 0.00287848/step Wall: 5515.77, 0.00287848/step, 2.47677 hours remaining, 208.359375 MB of memory in use. ENERGY: 1902400 812.9007 2161.8544 1992.4746 111.0957 -206413.1735 17756.2620 0.0000 0.0000 34286.7281 -149291.8578 299.4345 -183578.5859 -149198.0882 299.2762 -38.8178 -9.1800 556805.1624 -3.7519 -3.5986 PRESSURE: 1902600 248.795 -184.154 103.281 -184.155 -31.8399 20.8505 103.281 20.8501 56.4952 GPRESSURE: 1902600 207.979 -168.1 33.7556 -146.549 11.5825 31.7362 194.666 1.98746 143 PRESSAVG: 1902600 -49.0914 -31.3479 -21.0978 -31.348 -21.6606 14.256 -21.0977 14.2559 109.854 GPRESSAVG: 1902600 -48.3001 -30.7859 -19.6585 -28.9537 -21.9023 13.5127 -21.5582 16.161 108.931 TIMING: 1902600 CPU: 5516.35, 0.00288808/step Wall: 5516.35, 0.00288808/step, 2.48487 hours remaining, 208.359375 MB of memory in use. ENERGY: 1902600 750.8872 2157.7392 1970.8345 105.4232 -206450.6301 17889.1390 0.0000 0.0000 34313.6165 -149262.9905 299.6693 -183576.6070 -149168.8833 299.2236 91.1501 120.8538 556728.8287 13.0340 12.9094 PRESSURE: 1902800 -225.879 -90.261 -27.2473 -90.2603 23.1707 -16.6321 -27.2483 -16.6333 -40.8094 GPRESSURE: 1902800 -123.561 -111.974 -75.9016 -141.291 27.2076 -4.77712 17.3578 8.28059 -37.6529 PRESSAVG: 1902800 24.0553 -53.2082 -35.8956 -53.2082 -36.2027 27.6609 -35.8956 27.661 26.2335 GPRESSAVG: 1902800 24.7858 -53.2399 -34.7194 -54.6511 -35.0943 26.3395 -36.2485 27.7251 24.4808 TIMING: 1902800 CPU: 5516.93, 0.00288689/step Wall: 5516.93, 0.00288689/step, 2.48369 hours remaining, 208.359375 MB of memory in use. ENERGY: 1902800 771.8518 2149.8345 1957.4274 113.2262 -206576.3256 17843.0008 0.0000 0.0000 34405.7933 -149335.1916 300.4743 -183740.9849 -149237.5038 299.7612 -81.1727 -44.6689 555645.9883 4.6954 4.7241 PRESSURE: 1903000 12.9027 156.235 -2.83463 156.235 9.14024 -57.3693 -2.8356 -57.3688 -95.0073 GPRESSURE: 1903000 53.956 164.731 -10.6356 138.939 60.718 -103.382 75.3021 -12.2066 -94.9145 PRESSAVG: 1903000 -43.6506 -31.4963 37.8916 -31.4962 -15.3876 14.4658 37.8916 14.4658 53.9346 GPRESSAVG: 1903000 -44.4468 -31.8613 38.5066 -31.6683 -15.8122 15.203 39.9728 16.087 54.3841 TIMING: 1903000 CPU: 5517.51, 0.00288379/step Wall: 5517.51, 0.00288379/step, 2.48086 hours remaining, 208.359375 MB of memory in use. ENERGY: 1903000 740.1712 2195.6150 1947.5862 103.2001 -205937.4495 17640.0160 0.0000 0.0000 34192.4642 -149118.3968 298.6113 -183310.8609 -149027.6105 299.8660 -24.3214 6.5865 556609.7914 -1.7012 -1.9583 PRESSURE: 1903200 62.305 15.6762 72.1453 15.6736 106.74 55.4998 72.1445 55.4989 239.127 GPRESSURE: 1903200 107.165 -110.909 140.246 76.0435 146.484 87.5803 151.697 24.8282 229.535 PRESSAVG: 1903200 -70.6339 -22.0755 -5.16695 -22.0756 -40.6608 31.4181 -5.16695 31.4182 32.3242 GPRESSAVG: 1903200 -70.4812 -23.9047 -6.44999 -20.5949 -40.4632 31.1283 -6.98866 30.3533 32.0851 TIMING: 1903200 CPU: 5518.08, 0.00287669/step Wall: 5518.08, 0.00287669/step, 2.47459 hours remaining, 208.359375 MB of memory in use. ENERGY: 1903200 724.8366 2118.7547 1984.4858 110.2722 -206369.7930 18006.1934 0.0000 0.0000 34368.3503 -149056.8999 300.1474 -183425.2502 -148962.6524 299.5098 136.0575 161.0615 557682.8883 -26.3235 -26.2864 PRESSURE: 1903400 164.005 -230.867 76.8701 -230.868 6.11208 -30.9255 76.8707 -30.9253 -126.204 GPRESSURE: 1903400 180.255 -175.299 70.3658 -255.745 41.2069 5.65005 61.5258 -66.1713 -80.9396 PRESSAVG: 1903400 -5.54734 -2.37264 -12.8975 -2.37267 -19.1905 40.0214 -12.8975 40.0216 -51.7753 GPRESSAVG: 1903400 -5.96101 -1.231 -11.1614 -2.92169 -19.2971 37.557 -13.7393 39.3009 -51.4392 TIMING: 1903400 CPU: 5518.66, 0.00288383/step Wall: 5518.66, 0.00288383/step, 2.48057 hours remaining, 208.359375 MB of memory in use. ENERGY: 1903400 739.0906 2132.1420 1946.2504 110.0151 -206219.6351 17732.4301 0.0000 0.0000 34389.6586 -149170.0484 300.3334 -183559.7070 -149075.4154 299.2921 14.6375 46.8407 558424.8087 -25.5044 -25.5658 PRESSURE: 1903600 -38.6384 -188.119 15.9825 -188.117 -243.318 91.9124 15.9824 91.9136 -112.997 GPRESSURE: 1903600 17.2715 -254.575 161.832 -178.149 -229.439 105.616 -56.7339 57.3633 -93.6596 PRESSAVG: 1903600 1.76428 -7.14926 -32.2033 -7.14919 30.0348 15.8513 -32.2034 15.8512 -26.787 GPRESSAVG: 1903600 1.55636 -8.96672 -33.9807 -6.25659 30.3954 17.507 -31.9256 17.1316 -26.994 TIMING: 1903600 CPU: 5519.23, 0.00286379/step Wall: 5519.23, 0.00286379/step, 2.46317 hours remaining, 208.359375 MB of memory in use. ENERGY: 1903600 807.1258 2085.0015 1940.4238 119.1263 -206155.2245 17761.0093 0.0000 0.0000 34167.7097 -149274.8281 298.3951 -183442.5377 -149175.3797 298.6482 -131.6511 -101.9424 557534.3665 1.6707 1.6526 PRESSURE: 1903800 -106.337 -65.3559 45.8973 -65.3559 -233.404 43.7172 45.8989 43.7176 -5.82793 GPRESSURE: 1903800 -56.0536 -56.3863 109.705 5.42194 -206.166 44.2782 67.7705 26.9288 15.875 PRESSAVG: 1903800 68.2257 -34.8849 13.5919 -34.8849 -56.9414 28.2644 13.5919 28.2645 37.2186 GPRESSAVG: 1903800 68.6735 -33.1381 13.2053 -33.1427 -58.7705 29.209 14.0343 25.5446 38.3991 TIMING: 1903800 CPU: 5519.8, 0.00286272/step Wall: 5519.8, 0.00286272/step, 2.4621 hours remaining, 208.359375 MB of memory in use. ENERGY: 1903800 748.4423 2116.1166 1949.5907 118.7297 -206233.7070 17862.9863 0.0000 0.0000 34045.4969 -149392.3445 297.3278 -183437.8414 -149295.9234 298.7568 -115.1897 -82.1147 558294.5779 16.1676 16.1007 PRESSURE: 1904000 49.6456 2.60658 108.154 2.60572 -98.7346 -165.601 108.153 -165.601 75.107 GPRESSURE: 1904000 58.3096 30.6038 66.0831 -70.6711 26.6707 -203.34 127.566 -65.6749 49.2532 PRESSAVG: 1904000 9.00463 -0.729304 32.0589 -0.729345 -62.1636 -14.869 32.0589 -14.869 19.8125 GPRESSAVG: 1904000 8.31464 -2.34076 33.2701 -4.49817 -59.7822 -16.431 33.6989 -13.2128 19.4254 TIMING: 1904000 CPU: 5520.38, 0.00287475/step Wall: 5520.38, 0.00287475/step, 2.47229 hours remaining, 208.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1904000 758.2377 2023.5209 1949.8487 104.2380 -206652.2257 17967.9953 0.0000 0.0000 34357.3108 -149491.0743 300.0509 -183848.3851 -149387.3241 298.3756 8.6727 44.7445 558619.1079 -11.1155 -10.6807 PRESSURE: 1904200 -51.5556 -165.709 -26.6358 -165.709 -111.89 -72.1083 -26.6351 -72.108 55.5611 GPRESSURE: 1904200 1.48977 -153.343 -110.82 -228.544 -68.4879 -38.8393 10.1075 8.49688 66.7765 PRESSAVG: 1904200 23.0666 -25.2068 22.8707 -25.2068 -6.72272 -17.8583 22.8707 -17.8583 19.5861 GPRESSAVG: 1904200 23.0905 -24.0864 23.5121 -22.6127 -8.22714 -17.4062 22.7048 -16.3468 20.2319 TIMING: 1904200 CPU: 5520.95, 0.00286526/step Wall: 5520.95, 0.00286526/step, 2.46396 hours remaining, 208.359375 MB of memory in use. ENERGY: 1904200 745.9577 2060.1916 1969.6421 105.1939 -206262.3006 17861.7309 0.0000 0.0000 33963.7878 -149555.7966 296.6142 -183519.5844 -149456.1600 298.1957 -35.9614 -0.0739 557516.3233 11.9767 11.6984 LDB: ============= START OF LOAD BALANCING ============== 5524.34 LDB: ============== END OF LOAD BALANCING =============== 5524.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5524.34 LDB: ============= START OF LOAD BALANCING ============== 5524.63 LDB: Largest compute 4820 load 0.028348 is 24.0% of average load 0.117997 LDB: Average compute 0.001742 is 1.5% of average load 0.117997 LDB: TIME 5524.63 LOAD: AVG 0.117997 MAX 0.178352 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.414 MB LDB: TIME 5524.63 LOAD: AVG 0.117997 MAX 0.178352 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.617 MB LDB: TIME 5524.63 LOAD: AVG 0.117997 MAX 0.178352 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5524.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5524.63 PRESSURE: 1904400 131.918 116.595 31.8832 116.594 409.447 168.349 31.883 168.349 -137.528 GPRESSURE: 1904400 131.278 78.1326 -14.8655 30.6824 361.316 146.494 49.9837 166.984 -1.26855 PRESSAVG: 1904400 -4.83037 -40.0344 -25.6074 -40.0344 2.24787 -12.1012 -25.6074 -12.1012 19.0137 GPRESSAVG: 1904400 -4.73071 -40.9784 -26.806 -39.5001 2.29032 -12.4341 -26.9805 -13.3827 18.8968 TIMING: 1904400 CPU: 5521.54, 0.00293345/step Wall: 5521.54, 0.00293345/step, 2.52244 hours remaining, 208.410156 MB of memory in use. ENERGY: 1904400 736.9988 2159.6014 1942.2902 103.3547 -206699.3443 18209.5310 0.0000 0.0000 33991.4718 -149556.0965 296.8560 -183547.5683 -149461.2626 298.2406 134.6126 163.7751 555763.2913 5.4771 5.4855 PRESSURE: 1904600 -246.691 -16.6852 -164.038 -16.6839 12.137 154.884 -164.037 154.882 58.7182 GPRESSURE: 1904600 -181.069 -48.0921 -149.64 -43.4881 24.4857 189.278 -67.4832 152.064 86.121 PRESSAVG: 1904600 -71.1948 -33.9767 29.1103 -33.9765 33.5692 45.7217 29.1103 45.7217 43.382 GPRESSAVG: 1904600 -70.1326 -33.2558 29.2894 -36.1511 32.9969 47.2289 29.2705 42.7674 43.2946 TIMING: 1904600 CPU: 5522.11, 0.00287727/step Wall: 5522.11, 0.00287727/step, 2.47397 hours remaining, 208.613281 MB of memory in use. ENERGY: 1904600 752.3063 2156.0643 1942.1224 97.0905 -206376.9961 17705.9919 0.0000 0.0000 34304.6622 -149418.7586 299.5911 -183723.4208 -149322.2240 298.8522 -58.6121 -23.4874 557144.1723 1.9188 2.0530 PRESSURE: 1904800 110.571 26.9714 97.2178 26.9717 16.3978 -66.6724 97.2178 -66.6735 79.7128 GPRESSURE: 1904800 142.608 12.1469 59.5555 62.19 41.1561 -114.226 50.519 -88.5232 120.274 PRESSAVG: 1904800 -58.4943 -16.7168 31.6579 -16.7168 -51.7203 0.359252 31.6579 0.35923 52.4682 GPRESSAVG: 1904800 -59.8895 -16.5663 31.9069 -15.4042 -49.4211 0.951779 32.4274 2.12408 51.2275 TIMING: 1904800 CPU: 5522.69, 0.00288424/step Wall: 5522.69, 0.00288424/step, 2.47981 hours remaining, 208.613281 MB of memory in use. ENERGY: 1904800 750.8732 2092.6516 1974.1115 114.2269 -206341.1524 18007.0041 0.0000 0.0000 33953.3682 -149448.9168 296.5232 -183402.2850 -149344.7100 297.9922 68.8938 101.3459 558100.0504 -19.2488 -19.3610 PRESSURE: 1905000 208 -125.033 -74.1127 -125.034 382.25 -86.6906 -74.1125 -86.689 177.621 GPRESSURE: 1905000 246.362 -161.157 -108.934 -65.023 387.839 -31.0948 -81.1714 -169.976 217.572 PRESSAVG: 1905000 40.1523 -11.6519 7.15185 -11.6519 35.6753 -14.2792 7.15187 -14.2792 -46.3027 GPRESSAVG: 1905000 40.4528 -11.1327 8.88298 -11.7775 33.6132 -16.5121 6.6599 -11.8006 -45.0766 TIMING: 1905000 CPU: 5523.27, 0.00289388/step Wall: 5523.27, 0.00289388/step, 2.48794 hours remaining, 208.613281 MB of memory in use. ENERGY: 1905000 703.5579 2063.0681 1952.4562 106.5488 -206782.1660 18252.9936 0.0000 0.0000 34152.5071 -149551.0343 298.2623 -183703.5414 -149454.8171 297.9974 255.9570 283.9243 557126.2528 9.8416 9.6631 PRESSURE: 1905200 -92.0549 37.0437 109.399 37.0432 -94.9494 109.844 109.399 109.844 53.454 GPRESSURE: 1905200 -107.057 5.61477 129.204 69.97 -9.51572 75.0608 185.144 82.0685 70.2837 PRESSAVG: 1905200 -52.2453 48.6405 37.2458 48.6404 29.2137 -13.4789 37.2458 -13.4787 4.62473 GPRESSAVG: 1905200 -51.7211 49.6253 35.2935 47.9179 29.6604 -11.4777 37.7433 -15.4561 3.23804 TIMING: 1905200 CPU: 5523.85, 0.0028897/step Wall: 5523.85, 0.0028897/step, 2.48418 hours remaining, 208.613281 MB of memory in use. ENERGY: 1905200 720.6235 2105.2483 1972.9279 115.9531 -206292.1341 17770.5501 0.0000 0.0000 34128.8169 -149478.0144 298.0554 -183606.8313 -149372.1069 298.6438 -44.5168 -15.4298 557272.7766 -6.1356 -6.2742 PRESSURE: 1905400 -125.885 150.802 -0.138255 150.801 -25.6549 84.8776 -0.137171 84.8781 168.045 GPRESSURE: 1905400 -93.6727 89.8431 21.4164 189.088 -5.51721 113.54 -96.2991 90.5922 206.902 PRESSAVG: 1905400 -41.6038 42.6454 10.2122 42.6454 22.8996 -9.69957 10.2122 -9.69952 18.6906 GPRESSAVG: 1905400 -42.4738 41.2555 11.1993 43.1136 23.5002 -9.90597 8.47329 -9.26869 18.3062 TIMING: 1905400 CPU: 5524.42, 0.00288339/step Wall: 5524.42, 0.00288339/step, 2.47859 hours remaining, 208.816406 MB of memory in use. ENERGY: 1905400 754.8455 2055.3355 1985.9934 119.1181 -206842.3797 18152.8152 0.0000 0.0000 34195.5953 -149578.6769 298.6386 -183774.2722 -149476.8611 298.4410 5.5016 35.9040 557321.8833 -0.0045 -0.2224 PRESSURE: 1905600 -146.404 20.4974 -29.4269 20.4974 -45.3769 -95.9844 -29.4269 -95.985 -41.7789 GPRESSURE: 1905600 -119.559 0.828615 0.65397 -2.53581 -18.2843 -44.8022 -54.711 -96.2463 2.78171 PRESSAVG: 1905600 -28.7559 43.9962 -13.9329 43.9962 -64.6488 75.1128 -13.9329 75.1127 55.2356 GPRESSAVG: 1905600 -28.886 42.5056 -13.9566 44.7131 -65.3609 75.1785 -14.8473 73.7122 56.8331 TIMING: 1905600 CPU: 5525, 0.00289112/step Wall: 5525, 0.00289112/step, 2.48508 hours remaining, 208.816406 MB of memory in use. ENERGY: 1905600 770.2563 2090.7474 1961.7403 128.1967 -206460.2704 17907.9913 0.0000 0.0000 34242.4560 -149358.8823 299.0479 -183601.3383 -149271.8148 298.5437 -77.8532 -45.0206 557670.1960 -12.7230 -12.4713 PRESSURE: 1905800 -182.507 -27.4184 75.5224 -27.4188 51.2099 -37.8192 75.5225 -37.8187 -489.34 GPRESSURE: 1905800 -129.628 -8.65957 -14.6806 -40.3647 115.541 -43.6375 55.855 -50.5668 -498.245 PRESSAVG: 1905800 50.7026 42.6408 -25.2863 42.6408 -34.7816 -4.22711 -25.2863 -4.22711 6.26437 GPRESSAVG: 1905800 51.6924 45.6039 -26.8598 40.0554 -34.1728 -6.71976 -22.5203 -2.63052 4.48027 TIMING: 1905800 CPU: 5525.58, 0.00287845/step Wall: 5525.58, 0.00287845/step, 2.47402 hours remaining, 208.816406 MB of memory in use. ENERGY: 1905800 756.5995 2075.1169 1959.6979 104.0102 -205870.2868 17608.4136 0.0000 0.0000 34149.4227 -149217.0260 298.2354 -183366.4487 -149117.9127 298.7524 -206.8791 -170.7773 557758.2372 7.3951 7.3333 PRESSURE: 1906000 -3.03608 -76.1871 22.1695 -76.1863 -322.27 2.82176 22.169 2.82203 -258.307 GPRESSURE: 1906000 60.335 -136.093 38.6303 -13.0153 -304.331 -11.9817 -36.9765 51.0426 -244.712 PRESSAVG: 1906000 48.8859 54.5356 87.663 54.5356 24.027 17.6503 87.6631 17.6503 -66.5527 GPRESSAVG: 1906000 50.0444 51.3917 87.4935 58.2594 22.852 19.038 88.8164 17.2443 -66.457 TIMING: 1906000 CPU: 5526.15, 0.00287771/step Wall: 5526.15, 0.00287771/step, 2.47323 hours remaining, 208.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1906000 734.6409 2092.2996 1961.0142 113.8944 -206262.3489 17645.1637 0.0000 0.0000 34494.0820 -149221.2540 301.2454 -183715.3360 -149122.4563 299.2435 -194.5376 -162.9027 559131.4237 2.1200 2.1465 PRESSURE: 1906200 -161.959 5.73302 69.4174 5.73335 -17.8389 241.16 69.4165 241.161 -3.3233 GPRESSURE: 1906200 -123.206 62.4328 -19.7525 7.84284 27.7794 172.312 135.048 144.512 21.8859 PRESSAVG: 1906200 66.3708 -7.72522 19.9617 -7.72519 -5.83759 6.85614 19.9618 6.85603 -71.0697 GPRESSAVG: 1906200 64.9736 -6.58898 21.3247 -9.09084 -5.13637 6.7731 16.7578 7.85568 -70.5015 TIMING: 1906200 CPU: 5526.73, 0.00288143/step Wall: 5526.73, 0.00288143/step, 2.47627 hours remaining, 208.816406 MB of memory in use. ENERGY: 1906200 771.8666 2080.6038 1957.3796 107.4260 -206035.6692 17701.5874 0.0000 0.0000 34311.5076 -149105.2982 299.6509 -183416.8058 -149007.6860 300.1702 -61.0403 -24.5135 557944.2402 -3.5121 -3.5547 PRESSURE: 1906400 59.302 95.4741 -41.3609 95.4761 119.573 -119.659 -41.3609 -119.658 127.54 GPRESSURE: 1906400 125.184 7.16497 -22.5515 81.8909 87.8637 -200.612 1.70718 -66.8684 194.808 PRESSAVG: 1906400 18.593 39.3377 -2.97285 39.3377 -52.7958 -30.6639 -2.97289 -30.6638 19.7106 GPRESSAVG: 1906400 18.2585 37.9035 -0.548634 39.9483 -53.0116 -31.4806 -2.25968 -31.0945 20.4074 TIMING: 1906400 CPU: 5527.31, 0.00289583/step Wall: 5527.31, 0.00289582/step, 2.48848 hours remaining, 208.816406 MB of memory in use. ENERGY: 1906400 733.4038 2080.9904 1971.2949 122.1150 -206419.1786 18015.4400 0.0000 0.0000 34327.3142 -149168.6202 299.7890 -183495.9344 -149074.5169 299.4654 102.1382 135.9522 556679.7137 -4.8307 -4.7819 PRESSURE: 1906600 20.3944 -105.391 91.0808 -105.39 -113.545 -88.342 91.0803 -88.3399 179.736 GPRESSURE: 1906600 6.56056 -160.34 82.8481 -100.117 -46.043 -139.275 89.0331 -63.8549 221.728 PRESSAVG: 1906600 43.6411 3.30799 32.895 3.30809 -45.4593 30.9896 32.895 30.9896 12.8255 GPRESSAVG: 1906600 43.4521 5.35713 31.7597 2.6688 -46.4022 32.2128 31.5217 30.8464 12.6908 TIMING: 1906600 CPU: 5527.89, 0.00290521/step Wall: 5527.89, 0.00290521/step, 2.49638 hours remaining, 208.816406 MB of memory in use. ENERGY: 1906600 787.9812 2056.3523 1972.7999 98.1905 -206017.7242 17830.0019 0.0000 0.0000 34144.9959 -149127.4026 298.1967 -183272.3985 -149037.7252 299.0668 28.8617 60.7484 557789.8313 3.6691 3.2469 PRESSURE: 1906800 -17.415 -35.4348 31.5492 -35.435 -290.167 132.182 31.5512 132.183 94.3387 GPRESSURE: 1906800 -17.4936 -25.5998 42.8782 -113.681 -251.033 169.132 107.281 148.311 154.945 PRESSAVG: 1906800 -16.1914 -24.7416 28.6582 -24.7416 39.7907 59.8864 28.6582 59.8865 -17.4674 GPRESSAVG: 1906800 -15.7737 -24.961 26.8483 -24.4631 39.374 60.4824 30.8825 59.977 -17.4917 TIMING: 1906800 CPU: 5528.47, 0.00288246/step Wall: 5528.47, 0.00288246/step, 2.47667 hours remaining, 208.816406 MB of memory in use. ENERGY: 1906800 712.8236 2118.9108 1974.1664 107.9914 -206162.3833 17618.5579 0.0000 0.0000 34358.4811 -149271.4521 300.0612 -183629.9332 -149174.2530 299.6002 -71.0811 -37.8606 558207.5220 2.0439 2.0362 PRESSURE: 1907000 77.1703 -49.8351 81.1127 -49.8362 94.6324 61.0904 81.1117 61.091 49.8517 GPRESSURE: 1907000 72.339 -34.4999 44.1186 -90.6814 125.421 60.4975 103.726 40.5762 134.569 PRESSAVG: 1907000 86.7594 -6.67403 23.3233 -6.67403 -47.4291 32.1514 23.3233 32.1514 -59.8638 GPRESSAVG: 1907000 85.6009 -5.96242 23.6833 -8.17547 -46.0869 31.8822 24.0544 31.9622 -60.4347 TIMING: 1907000 CPU: 5529.04, 0.0028868/step Wall: 5529.04, 0.0028868/step, 2.48024 hours remaining, 208.816406 MB of memory in use. ENERGY: 1907000 708.8115 2093.2210 1964.2505 116.8940 -206643.6081 18031.5455 0.0000 0.0000 34403.3854 -149325.5002 300.4533 -183728.8856 -149228.8826 299.3757 73.8848 110.7765 556808.6093 -6.8445 -6.9736 PRESSURE: 1907200 267.878 -86.2256 -74.9602 -86.2249 37.9882 -114.408 -74.9606 -114.407 110.298 GPRESSURE: 1907200 269.355 74.8087 -77.3628 -249.324 116.303 -35.7991 -54.6053 -158.314 132.808 PRESSAVG: 1907200 123.498 38.0211 8.44783 38.0212 -3.02083 20.887 8.44799 20.887 -54.6676 GPRESSAVG: 1907200 124.369 38.8479 10.0798 36.1388 -4.15102 20.6949 8.60688 20.2695 -54.6631 TIMING: 1907200 CPU: 5529.63, 0.00291497/step Wall: 5529.63, 0.00291497/step, 2.50428 hours remaining, 208.816406 MB of memory in use. ENERGY: 1907200 765.9710 2117.5826 1975.6956 125.9854 -206458.1807 18093.1258 0.0000 0.0000 34352.9211 -149026.8991 300.0126 -183379.8203 -148935.3836 299.5472 138.7215 172.8222 557300.0371 21.9365 21.8518 PRESSURE: 1907400 -59.0916 91.7641 -119.166 91.7629 -101.757 0.855267 -119.164 0.855926 -61.718 GPRESSURE: 1907400 9.37146 49.3252 -77.3974 86.6539 -46.7778 42.4886 -174.543 34.5122 -91.6018 PRESSAVG: 1907400 39.9373 -24.8698 29.1922 -24.8698 -19.9089 32.3104 29.1923 32.3104 -33.9963 GPRESSAVG: 1907400 39.6414 -25.9119 31.0532 -20.6502 -19.6458 32.7362 26.9353 33.4133 -33.6396 TIMING: 1907400 CPU: 5530.21, 0.00290436/step Wall: 5530.21, 0.00290436/step, 2.495 hours remaining, 208.816406 MB of memory in use. ENERGY: 1907400 730.8466 2059.0517 1962.8612 119.0696 -205907.7599 17615.5873 0.0000 0.0000 34358.0915 -149062.2520 300.0578 -183420.3434 -148953.1665 299.7271 -74.1888 -43.0027 558553.6378 -4.6560 -4.5480 PRESSURE: 1907600 -0.219679 -169.393 8.04147 -169.393 -22.1824 346.805 8.04156 346.805 80.8784 GPRESSURE: 1907600 -9.66914 -174.442 3.78288 -197.463 43.4058 258.405 31.9646 391.16 107.62 PRESSAVG: 1907600 37.207 -27.7203 9.71995 -27.7202 -55.5296 43.0984 9.71985 43.0985 14.1267 GPRESSAVG: 1907600 37.9964 -29.4755 7.57478 -28.5615 -55.6404 43.2697 10.7318 42.607 13.9561 TIMING: 1907600 CPU: 5530.79, 0.00289317/step Wall: 5530.79, 0.00289317/step, 2.48524 hours remaining, 208.816406 MB of memory in use. ENERGY: 1907600 742.3023 2077.3390 1978.9930 116.8238 -206237.7804 17716.7358 0.0000 0.0000 34498.1393 -149107.4472 301.2808 -183605.5865 -149012.1112 299.6484 19.4921 47.1187 557775.1692 -1.3986 -1.2293 PRESSURE: 1907800 -23.2527 135.972 -171.446 135.974 -61.239 48.6613 -171.446 48.6604 89.9924 GPRESSURE: 1907800 -41.7637 80.178 -108.648 115.318 -12.0267 81.8348 -119.756 74.1714 152.368 PRESSAVG: 1907800 50.5874 -33.8526 -11.1309 -33.8527 -40.3586 56.699 -11.1308 56.699 0.511209 GPRESSAVG: 1907800 50.9786 -32.1624 -11.8293 -32.8656 -40.8337 56.4161 -12.3884 57.7249 0.38303 TIMING: 1907800 CPU: 5531.36, 0.00288808/step Wall: 5531.36, 0.00288808/step, 2.4807 hours remaining, 208.816406 MB of memory in use. ENERGY: 1907800 742.4025 2127.5955 1945.9500 119.3605 -206124.9864 17752.2848 0.0000 0.0000 34391.2209 -149046.1722 300.3471 -183437.3930 -148952.5448 298.8777 1.8336 32.8591 558103.6947 3.5800 3.5093 PRESSURE: 1908000 102.407 33.2619 -76.0881 33.262 402.594 12.2484 -76.0867 12.2494 111.252 GPRESSURE: 1908000 161.897 -6.43444 -55.0914 -12.392 430.776 -37.9177 -40.3762 26.0662 121.356 PRESSAVG: 1908000 -14.0687 11.903 3.89308 11.9031 -24.2429 26.6681 3.89309 26.6682 24.9275 GPRESSAVG: 1908000 -15.1776 11.6667 5.63388 10.019 -23.9297 26.7785 4.05739 23.6481 25.9908 TIMING: 1908000 CPU: 5531.94, 0.00290193/step Wall: 5531.94, 0.00290193/step, 2.49244 hours remaining, 208.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1908000 700.6977 2048.0540 1969.3634 109.2863 -206557.6151 18062.8510 0.0000 0.0000 34583.9871 -149083.3756 302.0306 -183667.3627 -148982.9171 299.3230 205.4180 238.0095 556342.5638 -4.4614 -4.3721 PRESSURE: 1908200 -259.571 -160.105 -11.3734 -160.103 132.334 -69.6214 -11.3727 -69.6214 173.113 GPRESSURE: 1908200 -197.58 -178.137 -39.504 -130.817 118.856 -103.704 33.858 -94.6962 207.896 PRESSAVG: 1908200 10.7749 -29.7212 -38.1254 -29.7212 -18.8888 -12.8705 -38.1254 -12.8705 4.39365 GPRESSAVG: 1908200 11.5517 -31.0857 -40.5952 -27.4558 -19.0804 -14.2513 -36.2149 -9.45392 3.93251 TIMING: 1908200 CPU: 5532.52, 0.00290313/step Wall: 5532.52, 0.00290313/step, 2.49331 hours remaining, 208.816406 MB of memory in use. ENERGY: 1908200 740.7718 2061.9802 1972.2544 113.4170 -205984.0258 17830.8930 0.0000 0.0000 34306.2025 -148958.5069 299.6046 -183264.7094 -148856.2667 299.6210 15.2919 43.0572 557274.8697 -1.2401 -1.1987 LDB: ============= START OF LOAD BALANCING ============== 5535.92 LDB: ============== END OF LOAD BALANCING =============== 5535.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5535.92 LDB: ============= START OF LOAD BALANCING ============== 5536.21 LDB: Largest compute 4820 load 0.027754 is 23.5% of average load 0.117952 LDB: Average compute 0.001739 is 1.5% of average load 0.117952 LDB: TIME 5536.21 LOAD: AVG 0.117952 MAX 0.181327 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 5536.21 LOAD: AVG 0.117952 MAX 0.181327 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 5536.21 LOAD: AVG 0.117952 MAX 0.181327 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5536.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5536.22 PRESSURE: 1908400 -51.5272 -171.284 -39.7159 -171.284 -19.3838 5.14803 -39.7153 5.14919 20.8842 GPRESSURE: 1908400 -15.3581 -167.486 -27.808 -130.434 -8.70718 72.2301 -75.1645 37.1691 69.5876 PRESSAVG: 1908400 10.6101 -21.5437 -41.9925 -21.5436 39.6399 7.08434 -41.9925 7.08432 -8.54712 GPRESSAVG: 1908400 9.37056 -20.965 -40.5974 -23.7413 41.6281 6.43744 -44.6278 6.61919 -9.29065 TIMING: 1908400 CPU: 5533.12, 0.00298209/step Wall: 5533.12, 0.00298209/step, 2.56095 hours remaining, 208.160156 MB of memory in use. ENERGY: 1908400 733.4534 2101.2057 1985.2832 121.1173 -206013.4648 17918.8675 0.0000 0.0000 34399.1535 -148754.3843 300.4164 -183153.5378 -148657.8619 300.3863 -16.6756 15.1741 560471.1797 13.9010 13.9027 PRESSURE: 1908600 -376.353 124.994 148.587 124.994 -122.221 57.8869 148.587 57.8874 -218.002 GPRESSURE: 1908600 -271.676 268.802 197.583 67.2789 -151.108 49.082 58.2215 -35.2922 -195.447 PRESSAVG: 1908600 -33.4434 47.1527 25.8692 47.1526 39.3954 -43.8236 25.8693 -43.8238 -4.48824 GPRESSAVG: 1908600 -32.0734 49.7125 26.3355 46.4 37.8266 -42.8432 26.7085 -45.1294 -4.02651 TIMING: 1908600 CPU: 5533.7, 0.00289886/step Wall: 5533.7, 0.00289886/step, 2.48931 hours remaining, 208.160156 MB of memory in use. ENERGY: 1908600 767.0608 2054.2211 1944.0907 112.5070 -205755.1241 17582.4449 0.0000 0.0000 34446.9536 -148847.8460 300.8338 -183294.7995 -148755.8575 300.8231 -238.8585 -206.0768 559773.3130 0.4879 0.5756 PRESSURE: 1908800 -179.064 18.1127 131.161 18.1132 -133.899 14.0891 131.161 14.0891 34.3404 GPRESSURE: 1908800 -100.467 57.8239 98.3582 -22.8579 -151.599 18.2841 152.804 -58.0122 73.7546 PRESSAVG: 1908800 -0.162436 24.902 -4.2606 24.902 17.7425 47.5213 -4.26048 47.5214 -40.3219 GPRESSAVG: 1908800 -0.195084 23.58 -5.12091 25.3213 16.9849 48.4402 -3.7589 47.7179 -39.7112 TIMING: 1908800 CPU: 5534.28, 0.00291147/step Wall: 5534.28, 0.00291147/step, 2.49998 hours remaining, 208.160156 MB of memory in use. ENERGY: 1908800 766.7936 2092.5210 1975.0081 107.2561 -206014.3540 17766.9462 0.0000 0.0000 34304.3867 -149001.4424 299.5887 -183305.8290 -148902.6870 300.0723 -92.8740 -59.4369 560449.5367 -7.5806 -7.6405 PRESSURE: 1909000 12.3656 2.85751 -8.86587 2.85676 -150.494 -0.636135 -8.86538 -0.637941 -100.487 GPRESSURE: 1909000 76.7442 -38.7803 22.3511 16.965 -115.302 154.297 15.2683 36.3377 -97.9975 PRESSAVG: 1909000 51.3893 -43.9497 -43.111 -43.9498 -27.674 -10.1363 -43.1111 -10.1362 -12.3786 GPRESSAVG: 1909000 49.9685 -45.1446 -42.3557 -42.7314 -26.1867 -11.3492 -43.3238 -10.2519 -12.5569 TIMING: 1909000 CPU: 5534.87, 0.00292076/step Wall: 5534.87, 0.00292076/step, 2.50779 hours remaining, 208.160156 MB of memory in use. ENERGY: 1909000 766.8276 2112.4681 1952.6595 111.1893 -205889.3648 17780.6352 0.0000 0.0000 34191.3692 -148974.2159 298.6017 -183165.5851 -148887.6871 300.1397 -79.5385 -45.5186 559039.9310 3.7789 3.7416 PRESSURE: 1909200 -35.6137 229.624 -133.347 229.625 102.087 18.9327 -133.347 18.9323 14.019 GPRESSURE: 1909200 -4.85335 205.028 -201.71 91.4044 156.474 -5.73815 -141.97 -39.2016 26.001 PRESSAVG: 1909200 14.6879 -4.67607 -70.4948 -4.67607 16.9187 15.859 -70.4946 15.859 -40.949 GPRESSAVG: 1909200 15.8205 -4.32933 -70.9786 -5.09928 15.9134 15.9836 -71.6241 15.9443 -41.9196 TIMING: 1909200 CPU: 5535.45, 0.00291345/step Wall: 5535.45, 0.00291345/step, 2.50136 hours remaining, 208.160156 MB of memory in use. ENERGY: 1909200 781.8337 2108.4666 1965.8056 113.5547 -205958.5883 17895.4209 0.0000 0.0000 33993.7468 -149099.7600 296.8758 -183093.5068 -149006.3994 299.6277 26.8308 59.2071 558016.5970 -3.1141 -3.3952 PRESSURE: 1909400 -418.294 -38.1858 -28.9053 -38.1838 -104.916 -116.825 -28.9059 -116.824 -194.338 GPRESSURE: 1909400 -308.363 -2.20821 -89.7457 -57.5305 -113.932 -10.8564 -20.6486 -192.595 -207.075 PRESSAVG: 1909400 43.5078 -40.0263 9.18343 -40.0264 -8.51109 -13.5793 9.1835 -13.5792 -1.84008 GPRESSAVG: 1909400 44.0723 -40.7827 11.6894 -40.4962 -8.79667 -11.9863 7.9949 -12.9697 -2.50905 TIMING: 1909400 CPU: 5536.03, 0.00291386/step Wall: 5536.03, 0.00291386/step, 2.50155 hours remaining, 208.160156 MB of memory in use. ENERGY: 1909400 743.4724 2058.0361 2001.5624 123.9989 -205473.8921 17245.2163 0.0000 0.0000 34160.3335 -149141.2726 298.3307 -183301.6061 -149038.2587 298.7210 -239.1826 -209.7900 559143.4431 11.0522 10.9222 PRESSURE: 1909600 271.86 171.128 -38.4283 171.129 -12.2736 -32.5485 -38.4295 -32.5479 -180.186 GPRESSURE: 1909600 319.141 156.915 -70.3002 171.396 -29.1478 13.4837 -60.1036 -128.187 -95.7001 PRESSAVG: 1909600 0.404023 -17.1878 -12.3669 -17.1878 -32.3694 -3.05394 -12.3669 -3.05402 -0.771588 GPRESSAVG: 1909600 -0.923294 -16.5672 -14.1455 -17.2903 -31.9748 -6.36247 -10.2393 -1.98281 1.09074 TIMING: 1909600 CPU: 5536.61, 0.00290986/step Wall: 5536.61, 0.00290986/step, 2.49796 hours remaining, 208.160156 MB of memory in use. ENERGY: 1909600 733.1813 2114.4040 1932.9180 118.9683 -206187.7079 17975.7465 0.0000 0.0000 34162.4270 -149150.0628 298.3490 -183312.4898 -149051.1327 299.2868 26.4668 64.7642 558106.7087 -10.9123 -10.6025 PRESSURE: 1909800 -462.118 -36.6701 86.6461 -36.6705 -38.919 -101.517 86.6468 -101.519 -85.6464 GPRESSURE: 1909800 -415.332 -59.0488 34.3333 28.5935 1.3275 -49.7466 14.532 -203.443 -67.2003 PRESSAVG: 1909800 -40.5433 43.8424 41.0768 43.8425 76.7908 24.5874 41.0768 24.5873 -23.3169 GPRESSAVG: 1909800 -39.8594 44.6265 42.4212 43.8601 78.0084 26.2012 39.0911 24.5349 -24.9221 TIMING: 1909800 CPU: 5537.2, 0.00291353/step Wall: 5537.2, 0.00291353/step, 2.50094 hours remaining, 208.160156 MB of memory in use. ENERGY: 1909800 721.7192 2114.0029 1959.9297 113.9902 -206068.7480 17557.3918 0.0000 0.0000 34325.2733 -149276.4408 299.7711 -183601.7142 -149176.9722 299.6780 -195.5613 -160.4017 557598.0652 4.3102 4.4089 PRESSURE: 1910000 47.5176 77.3005 24.8634 77.301 103.282 233.244 24.8655 233.246 -602.155 GPRESSURE: 1910000 67.2967 88.3264 4.97488 38.7109 115.511 234.206 82.3094 188.927 -540.981 PRESSAVG: 1910000 -29.7508 18.9744 -7.2269 18.9744 19.3936 26.2601 -7.2268 26.2601 26.8592 GPRESSAVG: 1910000 -29.9695 20.6506 -10.6042 16.4323 18.9648 26.8134 -4.55388 23.8374 27.059 TIMING: 1910000 CPU: 5537.78, 0.00289546/step Wall: 5537.78, 0.00289546/step, 2.48527 hours remaining, 208.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1910000 748.7879 2091.3301 1930.2419 117.0374 -205873.7040 17513.5467 0.0000 0.0000 34250.7570 -149222.0030 299.1204 -183472.7600 -149125.6850 298.5539 -150.4520 -119.3910 557677.9274 5.5007 5.3514 PRESSURE: 1910200 -319.372 -104.454 -42.9831 -104.455 -185.551 -49.3201 -42.9835 -49.3192 51.0583 GPRESSURE: 1910200 -300.714 -137.979 -9.10303 -2.36602 -183.533 -54.4446 -23.0549 -136.754 128.96 PRESSAVG: 1910200 -3.62093 -8.03001 -16.9129 -8.03002 24.0304 39.5084 -16.913 39.5084 7.4793 GPRESSAVG: 1910200 -3.72674 -9.64212 -14.4551 -5.49765 22.5851 37.7165 -17.1764 41.5562 9.18501 TIMING: 1910200 CPU: 5538.35, 0.00289191/step Wall: 5538.35, 0.00289191/step, 2.48207 hours remaining, 208.160156 MB of memory in use. ENERGY: 1910200 743.1077 2063.5119 1952.0716 112.2173 -205958.9475 17690.1446 0.0000 0.0000 34273.7467 -149124.1477 299.3212 -183397.8944 -149025.4082 299.1048 -151.2883 -118.4292 557356.6261 9.2962 9.3478 PRESSURE: 1910400 150.104 130.206 -82.5096 130.206 -45.8803 190.333 -82.509 190.332 86.468 GPRESSURE: 1910400 201.357 137.926 -104.039 59.5456 -10.7867 159.309 -78.6978 143.405 102.363 PRESSAVG: 1910400 -22.15 -21.2101 -34.0359 -21.2101 -63.1026 -31.1228 -34.0359 -31.1228 45.9464 GPRESSAVG: 1910400 -21.4081 -22.8165 -35.4729 -20.3375 -61.7868 -32.3649 -34.1095 -30.5832 44.1903 TIMING: 1910400 CPU: 5538.93, 0.00289329/step Wall: 5538.93, 0.00289329/step, 2.48309 hours remaining, 208.160156 MB of memory in use. ENERGY: 1910400 744.1954 2040.3609 1956.4661 110.7636 -206002.2462 17910.8460 0.0000 0.0000 34283.9975 -148955.6167 299.4107 -183239.6142 -148860.7362 299.4468 63.5640 97.6445 556243.7548 -13.1021 -13.0015 PRESSURE: 1910600 -129.37 177.862 -83.9159 177.862 109.386 44.0373 -83.9157 44.037 -79.0568 GPRESSURE: 1910600 -83.6829 97.8047 -100.944 251.423 176.653 -1.88554 0.135783 43.6783 -96.3965 PRESSAVG: 1910600 37.3388 -5.90308 -36.858 -5.90312 21.873 -19.5878 -36.8579 -19.5878 -35.7689 GPRESSAVG: 1910600 36.8485 -4.38791 -36.5743 -7.72775 21.2457 -18.1279 -36.2167 -21.8636 -34.509 TIMING: 1910600 CPU: 5539.51, 0.00289523/step Wall: 5539.51, 0.00289523/step, 2.48459 hours remaining, 208.160156 MB of memory in use. ENERGY: 1910600 732.6544 2090.8168 1961.5049 122.3241 -205794.7204 17629.0146 0.0000 0.0000 34374.1351 -148884.2705 300.1979 -183258.4056 -148786.3713 299.8969 -33.0136 -1.1422 557095.4519 7.8143 7.8617 PRESSURE: 1910800 -168.06 -117.489 -155.31 -117.488 -58.453 -60.8736 -155.311 -60.8718 -71.5234 GPRESSURE: 1910800 -151.369 -31.1492 -195.573 -161.124 -20.385 -43.5359 -96.9708 26.5255 -30.664 PRESSAVG: 1910800 -62.4729 -6.68168 -35.6154 -6.68164 25.7639 -21.4844 -35.6155 -21.4844 9.31082 GPRESSAVG: 1910800 -62.0336 -6.59397 -34.4001 -6.96735 25.6114 -22.2851 -37.0472 -19.6628 9.38507 TIMING: 1910800 CPU: 5540.09, 0.00290401/step Wall: 5540.09, 0.00290401/step, 2.49196 hours remaining, 208.160156 MB of memory in use. ENERGY: 1910800 752.4993 2073.6463 1951.2976 114.6694 -205533.9303 17407.0014 0.0000 0.0000 34364.0228 -148870.7935 300.1096 -183234.8163 -148769.7804 300.6003 -99.3454 -67.4726 557777.3315 -9.1328 -9.0124 PRESSURE: 1911000 -231.278 10.182 -33.0521 10.181 -197.818 -16.3084 -33.0516 -16.3085 134.722 GPRESSURE: 1911000 -240.416 -49.9339 -57.3181 12.5526 -113.302 24.3871 -90.2146 -80.5392 157.597 PRESSAVG: 1911000 24.629 -6.32137 -62.2449 -6.32129 -28.026 4.98645 -62.2449 4.98649 19.7218 GPRESSAVG: 1911000 24.1693 -8.63381 -61.9073 -3.31406 -28.0259 5.62853 -63.6121 4.26246 20.4195 TIMING: 1911000 CPU: 5540.67, 0.00289291/step Wall: 5540.67, 0.00289291/step, 2.48228 hours remaining, 208.160156 MB of memory in use. ENERGY: 1911000 756.8341 2018.9067 1942.9994 114.5534 -205689.8797 17514.7180 0.0000 0.0000 34257.9652 -149083.9029 299.1833 -183341.8681 -148994.8962 299.7410 -98.1245 -65.3737 557426.6182 5.4416 5.5210 PRESSURE: 1911200 54.0272 103.402 54.0557 103.402 -45.287 82.8286 54.0549 82.8301 -51.0856 GPRESSURE: 1911200 96.774 89.2195 7.37115 183.55 -54.6097 90.815 136.353 34.2656 19.8971 PRESSAVG: 1911200 12.3566 -67.156 -53.2825 -67.156 -16.4772 6.50794 -53.2826 6.50796 -7.70336 GPRESSAVG: 1911200 12.6307 -65.0474 -53.4558 -69.2322 -15.9377 5.78932 -52.2333 7.04058 -8.90444 TIMING: 1911200 CPU: 5541.25, 0.00289837/step Wall: 5541.25, 0.00289837/step, 2.48681 hours remaining, 208.160156 MB of memory in use. ENERGY: 1911200 735.5167 2027.2603 1959.4796 120.2407 -206200.5834 17768.5889 0.0000 0.0000 34479.8170 -149109.6802 301.1208 -183589.4972 -149013.0999 298.8626 -14.1151 20.6871 556199.1150 -3.9413 -4.0705 PRESSURE: 1911400 -31.7121 -55.6483 -173.427 -55.6486 109.739 84.5215 -173.426 84.5207 25.1458 GPRESSURE: 1911400 20.284 -66.3349 -193.45 4.19583 113.192 89.3943 -141.35 43.1094 74.233 PRESSAVG: 1911400 42.4195 -35.9877 -36.3462 -35.9878 -15.5817 54.3592 -36.3462 54.3591 -4.80151 GPRESSAVG: 1911400 41.9415 -38.4064 -36.3967 -34.5378 -16.1359 54.4472 -34.9281 54.1941 -3.52731 TIMING: 1911400 CPU: 5541.83, 0.00289069/step Wall: 5541.83, 0.00289069/step, 2.48005 hours remaining, 208.160156 MB of memory in use. ENERGY: 1911400 779.2256 2044.9348 1957.5720 122.8230 -205915.3013 17801.0186 0.0000 0.0000 34168.6527 -149041.0745 298.4033 -183209.7272 -148952.3396 299.6237 34.3910 69.2363 556112.0755 7.3454 7.4261 PRESSURE: 1911600 174.562 -108.155 -26.0612 -108.157 128.907 -83.1411 -26.0611 -83.1403 -100.938 GPRESSURE: 1911600 225.725 -116.334 48.9927 -138.234 138.151 -132.676 -80.9034 -119.118 -72.9912 PRESSAVG: 1911600 11.846 -28.0942 15.4896 -28.0943 -17.91 12.7395 15.4897 12.7396 -1.2758 GPRESSAVG: 1911600 12.5657 -25.8207 15.4198 -30.2259 -17.2133 13.5928 14.6915 12.1675 -3.08934 TIMING: 1911600 CPU: 5542.4, 0.00287646/step Wall: 5542.4, 0.00287646/step, 2.46768 hours remaining, 208.160156 MB of memory in use. ENERGY: 1911600 717.4243 2041.0476 1950.5619 96.9039 -206292.2930 17929.1900 0.0000 0.0000 34355.8954 -149201.2701 300.0386 -183557.1654 -149098.1864 299.5533 67.5105 96.9617 556478.4742 -2.4466 -2.5790 PRESSURE: 1911800 -71.662 25.7133 -73.7002 25.7117 148.133 -91.1017 -73.7007 -91.1015 96.1915 GPRESSURE: 1911800 31.8819 50.8931 -165.805 48.416 95.4559 -106.548 -47.7648 -26.8993 131.754 PRESSAVG: 1911800 94.6318 -48.5478 -20.3487 -48.5477 -62.7535 -6.33214 -20.3488 -6.33219 -81.5274 GPRESSAVG: 1911800 94.5852 -48.0957 -19.7875 -47.0009 -63.1599 -7.19329 -21.5354 -6.9042 -80.391 TIMING: 1911800 CPU: 5542.98, 0.00286062/step Wall: 5542.98, 0.00286062/step, 2.45394 hours remaining, 208.160156 MB of memory in use. ENERGY: 1911800 736.9752 2100.3070 1953.8493 116.3006 -206235.8570 18003.0281 0.0000 0.0000 34161.3761 -149164.0207 298.3398 -183325.3969 -149075.0803 298.9876 57.5541 86.3639 558010.9200 -16.5497 -16.3219 PRESSURE: 1912000 -0.656679 -38.6144 59.5723 -38.6131 -37.1523 -119.148 59.5727 -119.148 -32.5663 GPRESSURE: 1912000 8.1752 -61.0341 46.1107 -9.89687 -41.2169 -167.648 31.6053 -191.303 49.8065 PRESSAVG: 1912000 -42.6478 -17.0737 -17.1802 -17.0737 29.4658 -41.6411 -17.1802 -41.6411 20.913 GPRESSAVG: 1912000 -42.1706 -18.5068 -17.6881 -18.461 29.4199 -41.7123 -17.329 -42.7758 20.8415 TIMING: 1912000 CPU: 5543.55, 0.00287065/step Wall: 5543.55, 0.00287065/step, 2.46238 hours remaining, 208.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1912000 707.7424 2053.7785 1948.4977 102.1337 -206020.9939 17587.1617 0.0000 0.0000 34316.7268 -149304.9530 299.6965 -183621.6799 -149209.8801 298.5221 -23.4584 5.5882 557731.4008 2.5770 2.6969 PRESSURE: 1912200 -52.2276 -47.0778 29.9042 -47.0781 160.423 -47.1114 29.9052 -47.1116 -237.941 GPRESSURE: 1912200 -18.8134 94.5772 44.0493 -71.8628 179.914 -86.7006 11.1794 -61.6313 -194.13 PRESSAVG: 1912200 -0.345275 -31.9861 5.62605 -31.9861 -10.1664 -20.7872 5.62596 -20.7872 12.613 GPRESSAVG: 1912200 -1.09342 -29.5704 4.98378 -32.7724 -10.071 -19.0565 4.73167 -20.0355 13.3215 TIMING: 1912200 CPU: 5544.13, 0.00287832/step Wall: 5544.13, 0.00287832/step, 2.4688 hours remaining, 208.160156 MB of memory in use. ENERGY: 1912200 716.3730 2031.9872 1933.2267 110.6909 -206233.3111 17812.5682 0.0000 0.0000 34323.7441 -149304.7209 299.7578 -183628.4650 -149212.3659 299.3076 -43.2483 -11.0100 559595.8763 0.7005 0.7190 LDB: ============= START OF LOAD BALANCING ============== 5547.51 LDB: ============== END OF LOAD BALANCING =============== 5547.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5547.51 LDB: ============= START OF LOAD BALANCING ============== 5547.8 LDB: Largest compute 4820 load 0.027212 is 23.1% of average load 0.117945 LDB: Average compute 0.001733 is 1.5% of average load 0.117945 LDB: TIME 5547.8 LOAD: AVG 0.117945 MAX 0.178827 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 5547.8 LOAD: AVG 0.117945 MAX 0.178827 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 5547.8 LOAD: AVG 0.117945 MAX 0.178827 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5547.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5547.81 PRESSURE: 1912400 137.926 -83.1117 -23.8622 -83.112 229.129 -162.328 -23.8619 -162.327 -145.295 GPRESSURE: 1912400 179.82 -145.472 -126.645 -33.8414 237.73 -90.0529 -21.148 -196.918 -105.743 PRESSAVG: 1912400 109.364 13.0019 -42.5111 13.0018 -45.9922 -58.1807 -42.5111 -58.1807 -33.7804 GPRESSAVG: 1912400 108.691 13.0098 -42.7098 13.3488 -45.7167 -57.1869 -40.7376 -58.5427 -33.7898 TIMING: 1912400 CPU: 5544.71, 0.00293878/step Wall: 5544.71, 0.00293878/step, 2.5205 hours remaining, 210.496094 MB of memory in use. ENERGY: 1912400 757.4652 2084.6519 1960.6432 112.8404 -206393.9113 17989.5474 0.0000 0.0000 34084.2336 -149404.5296 297.6661 -183488.7633 -149305.6064 298.4191 73.9200 103.9358 557885.1980 9.8637 9.7283 PRESSURE: 1912600 -234.278 -45.4158 -250.447 -45.4155 -64.0856 294.615 -250.446 294.613 69.3993 GPRESSURE: 1912600 -203.097 -105.14 -191.469 -38.1009 -24.3668 218.433 -244.128 258.508 86.6761 PRESSAVG: 1912600 65.9116 8.95675 -4.26619 8.95667 -28.384 23.5077 -4.26612 23.5079 -9.95307 GPRESSAVG: 1912600 66.6803 5.57788 -3.5267 12.2914 -29.0673 21.0037 -5.21311 23.7513 -9.17837 TIMING: 1912600 CPU: 5545.3, 0.00290556/step Wall: 5545.3, 0.00290556/step, 2.49184 hours remaining, 210.566406 MB of memory in use. ENERGY: 1912600 718.4635 2047.9916 1925.4675 113.4736 -206099.5472 17660.2756 0.0000 0.0000 34058.1778 -149575.6976 297.4385 -183633.8755 -149477.3142 297.8927 -76.3216 -46.9291 558443.8151 9.1915 9.4782 PRESSURE: 1912800 -39.0631 -1.48193 -38.1815 -1.48125 452.753 -22.7274 -38.1825 -22.728 259.084 GPRESSURE: 1912800 45.9636 7.3703 -58.0874 -42.2263 444.953 58.7613 -15.8249 0.601487 273.796 PRESSAVG: 1912800 -17.6215 -37.194 5.25202 -37.194 67.8023 22.962 5.25202 22.962 -53.6096 GPRESSAVG: 1912800 -17.196 -36.9311 4.65618 -38.0385 68.5792 23.9453 6.52295 23.378 -55.0871 TIMING: 1912800 CPU: 5545.87, 0.002887/step Wall: 5545.87, 0.002887/step, 2.47576 hours remaining, 210.566406 MB of memory in use. ENERGY: 1912800 708.3594 2000.9191 1923.1617 120.8934 -206739.3274 18183.1239 0.0000 0.0000 34329.1833 -149473.6867 299.8053 -183802.8700 -149384.5880 298.1606 224.2581 254.9043 556947.9429 -1.1429 -1.2347 PRESSURE: 1913000 -170.132 -50.0695 -104.118 -50.0696 -267.834 -28.3151 -104.119 -28.315 -34.9976 GPRESSURE: 1913000 -90.1144 -39.1258 -16.1948 -40.3415 -221.137 -140.56 -222.871 31.4403 -67.4052 PRESSAVG: 1913000 -24.678 -46.3619 7.07548 -46.3619 13.0395 26.8692 7.07549 26.8692 -39.2637 GPRESSAVG: 1913000 -25.5058 -45.9365 8.53219 -46.0711 12.2705 27.4094 6.32275 27.2648 -37.798 TIMING: 1913000 CPU: 5546.45, 0.00289896/step Wall: 5546.45, 0.00289896/step, 2.48585 hours remaining, 210.566406 MB of memory in use. ENERGY: 1913000 760.2679 2029.7881 1924.3006 113.0605 -206137.6355 17802.2243 0.0000 0.0000 34042.3771 -149465.6170 297.3005 -183507.9941 -149367.7156 298.4276 -157.6545 -126.2188 558598.3782 -16.9674 -17.0111 PRESSURE: 1913200 -112.501 -45.5006 18.6072 -45.5009 37.4815 97.7418 18.6073 97.7416 -155.002 GPRESSURE: 1913200 -78.7472 -113.337 10.7384 -46.0966 79.4272 11.1984 53.8134 120.998 -145.487 PRESSAVG: 1913200 37.5184 -25.6955 1.78917 -25.6955 -3.00381 20.7875 1.78928 20.7874 -24.2729 GPRESSAVG: 1913200 38.0314 -26.4662 1.21952 -24.6065 -3.23509 19.7275 2.80854 22.9803 -24.642 TIMING: 1913200 CPU: 5547.03, 0.00290107/step Wall: 5547.03, 0.00290107/step, 2.48751 hours remaining, 210.566406 MB of memory in use. ENERGY: 1913200 735.1988 2071.8324 1957.6236 117.8152 -206390.4687 17756.2116 0.0000 0.0000 34168.3244 -149583.4628 298.4005 -183751.7872 -149492.0327 298.5015 -76.6739 -48.2690 558426.6286 3.4139 3.3848 PRESSURE: 1913400 -221.663 26.0618 -16.6009 26.0606 246.278 50.6589 -16.5996 50.6567 -26.8791 GPRESSURE: 1913400 -136.638 28.4132 44.9448 -22.5854 243.171 40.0613 -20.4737 41.552 -12.9344 PRESSAVG: 1913400 44.3661 -71.1329 -37.8873 -71.1329 19.0563 -0.109523 -37.8873 -0.109577 -41.404 GPRESSAVG: 1913400 44.5918 -71.2117 -40.6224 -72.6021 18.3659 0.666345 -37.9077 -3.09066 -41.2052 TIMING: 1913400 CPU: 5547.61, 0.00290776/step Wall: 5547.61, 0.00290776/step, 2.49308 hours remaining, 210.566406 MB of memory in use. ENERGY: 1913400 727.0108 2049.2147 1928.3184 113.6312 -206401.1291 17779.6509 0.0000 0.0000 34189.1630 -149614.1401 298.5825 -183803.3031 -149518.2138 298.5542 -0.7546 31.1995 558324.1811 7.3395 7.2508 PRESSURE: 1913600 -21.3968 -61.8936 21.3515 -61.8938 17.5202 -9.2092 21.3519 -9.20794 -51.4982 GPRESSURE: 1913600 56.6933 -64.2991 -30.7993 -110.836 12.2658 -48.8119 4.01793 17.3607 -30.9971 PRESSAVG: 1913600 -32.0083 -41.0496 -49.0014 -41.0495 4.05352 -12.2169 -49.0014 -12.2169 28.3057 GPRESSAVG: 1913600 -31.4447 -40.9923 -45.5432 -42.3035 4.05743 -12.6827 -50.9367 -11.78 27.378 TIMING: 1913600 CPU: 5548.19, 0.00289654/step Wall: 5548.19, 0.00289654/step, 2.4833 hours remaining, 210.566406 MB of memory in use. ENERGY: 1913600 765.2666 2028.1858 1939.3122 107.7246 -206471.2932 17886.8106 0.0000 0.0000 34051.8500 -149692.1433 297.3833 -183743.9933 -149593.5185 298.5564 -18.4582 12.6540 557562.5168 0.1170 -0.0031 PRESSURE: 1913800 -182.049 98.3186 -62.849 98.318 -63.5152 39.294 -62.8504 39.2957 -303.512 GPRESSURE: 1913800 -184.433 131.501 11.2105 95.3586 20.8185 61.7314 -44.3476 12.1203 -271.325 PRESSAVG: 1913800 30.7512 -25.9602 -49.5681 -25.9603 -34.4822 -0.535317 -49.5681 -0.535326 -2.16716 GPRESSAVG: 1913800 29.6448 -26.9802 -51.5955 -23.9737 -33.3168 0.477117 -47.3233 -1.75208 -1.86874 TIMING: 1913800 CPU: 5548.77, 0.00288613/step Wall: 5548.77, 0.00288613/step, 2.47422 hours remaining, 210.566406 MB of memory in use. ENERGY: 1913800 764.3032 2062.7723 1937.5416 110.6693 -206427.0617 17670.4787 0.0000 0.0000 34049.8546 -149831.4420 297.3658 -183881.2966 -149737.0150 298.1266 -183.0254 -144.9799 557893.2923 -1.9660 -1.8469 PRESSURE: 1914000 188.199 -71.9449 61.1632 -71.9454 252.494 -63.7799 61.1635 -63.7805 208.616 GPRESSURE: 1914000 266.487 -165.523 -1.39226 -41.3534 226.518 -42.1313 -14.4984 -110.674 250.075 PRESSAVG: 1914000 -0.459081 34.9118 -41.635 34.9119 -3.35157 -19.7238 -41.6351 -19.7239 -5.16119 GPRESSAVG: 1914000 0.271085 36.7594 -40.8214 33.3761 -5.13142 -20.3011 -44.2208 -18.5667 -3.58816 TIMING: 1914000 CPU: 5549.35, 0.00290259/step Wall: 5549.35, 0.00290259/step, 2.48816 hours remaining, 210.566406 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: 1914000 768.0783 2071.1080 1976.9061 104.6618 -207077.0318 18375.8504 0.0000 0.0000 34036.3864 -149744.0408 297.2482 -183780.4272 -149654.4650 296.7205 216.4367 247.6932 556554.9180 -2.9906 -2.8162 PRESSURE: 1914200 -188.534 -21.1658 95.4626 -21.1663 -351.017 -57.7607 95.462 -57.7603 -156.112 GPRESSURE: 1914200 -179.45 -14.0049 78.4493 -48.7744 -300.31 -51.7736 65.6048 27.1958 -125.296 PRESSAVG: 1914200 9.21725 2.37634 -7.40633 2.37631 -2.27992 37.6896 -7.40626 37.6895 32.2387 GPRESSAVG: 1914200 7.43118 -0.452575 -8.80727 3.7613 -0.570964 39.4498 -4.04607 36.361 32.1848 TIMING: 1914200 CPU: 5549.93, 0.00291052/step Wall: 5549.93, 0.00291052/step, 2.4948 hours remaining, 210.566406 MB of memory in use. ENERGY: 1914200 731.4321 2061.7898 1962.3910 115.7481 -206420.9567 17573.8543 0.0000 0.0000 34217.0840 -149758.6574 298.8263 -183975.7414 -149664.3010 297.9310 -231.8876 -201.6853 557539.8151 13.0587 13.0150 PRESSURE: 1914400 134.525 -145.616 -120.242 -145.616 330.887 -135.872 -120.242 -135.87 120.462 GPRESSURE: 1914400 155.471 -96.2763 -3.17227 -126.268 348.213 -105.671 -162.658 -122.215 178.61 PRESSAVG: 1914400 -26.6191 0.703318 -7.08281 0.703238 -38.0751 -46.8997 -7.08284 -46.8997 54.125 GPRESSAVG: 1914400 -25.7085 3.63159 -5.1984 0.0520705 -38.4065 -48.5332 -9.87209 -45.2737 53.5316 TIMING: 1914400 CPU: 5550.52, 0.00290838/step Wall: 5550.52, 0.00290838/step, 2.49281 hours remaining, 210.566406 MB of memory in use. ENERGY: 1914400 755.0943 2087.3133 1974.7193 126.3859 -207095.7736 18148.0930 0.0000 0.0000 34281.8990 -149722.2688 299.3924 -184004.1678 -149635.0627 298.5658 195.2913 227.4314 554608.5472 -3.5231 -3.5278 PRESSURE: 1914600 -143.939 4.19348 136.241 4.19454 -16.0317 124.535 136.239 124.534 -213.902 GPRESSURE: 1914600 -130.514 73.0802 89.3128 34.598 47.1875 73.7801 103.867 120.371 -193.963 PRESSAVG: 1914600 19.7291 11.2523 -11.2915 11.2522 41.6203 -28.4405 -11.2914 -28.4406 -94.6258 GPRESSAVG: 1914600 21.6438 10.6144 -11.2024 11.9557 40.9324 -28.5326 -11.255 -29.6922 -95.5763 TIMING: 1914600 CPU: 5551.1, 0.0029296/step Wall: 5551.1, 0.0029296/step, 2.51083 hours remaining, 210.566406 MB of memory in use. ENERGY: 1914600 732.5033 2039.2268 1978.4949 106.9122 -206471.6836 17656.2284 0.0000 0.0000 33967.1493 -149991.1687 296.6436 -183958.3180 -149896.2253 297.8684 -124.6243 -92.4299 556435.5074 -11.0922 -11.0000 PRESSURE: 1914800 76.6884 154.219 -103.424 154.218 -96.0222 -49.787 -103.425 -49.7866 59.9738 GPRESSURE: 1914800 168.478 109.901 -162.062 257.067 -115.133 -100.929 -1.33811 -42.103 85.1752 PRESSAVG: 1914800 63.947 1.68243 -54.5307 1.68251 -19.225 -19.8361 -54.5305 -19.8362 -17.4212 GPRESSAVG: 1914800 62.9967 1.56173 -55.1031 2.67722 -18.9151 -21.6775 -53.1229 -18.9173 -16.8102 TIMING: 1914800 CPU: 5551.69, 0.00293232/step Wall: 5551.69, 0.00293232/step, 2.513 hours remaining, 210.566406 MB of memory in use. ENERGY: 1914800 770.4465 2114.4670 1973.5505 103.1721 -206843.2060 17860.9891 0.0000 0.0000 33970.1072 -150050.4736 296.6694 -184020.5808 -149956.0367 297.7603 13.5467 46.1733 553541.8328 9.1003 9.0905 PRESSURE: 1915000 -35.2463 134.308 -182.608 134.308 -270.737 101.794 -182.607 101.796 -253.461 GPRESSURE: 1915000 10.3528 193.384 -142.467 95.283 -279.351 144.556 -167.624 118.175 -196.165 PRESSAVG: 1915000 63.2212 53.83 -23.1305 53.8299 -112.354 -31.0509 -23.1305 -31.0508 30.4414 GPRESSAVG: 1915000 63.0729 52.5568 -23.3077 52.9885 -111.771 -29.1868 -23.9798 -32.2334 29.8994 TIMING: 1915000 CPU: 5552.27, 0.002894/step Wall: 5552.27, 0.002894/step, 2.47999 hours remaining, 210.566406 MB of memory in use. ENERGY: 1915000 752.6401 2021.7046 1964.3647 111.8369 -206800.2800 17740.3906 0.0000 0.0000 34012.5869 -150196.7562 297.0404 -184209.3431 -150096.6338 297.5034 -186.4815 -155.0543 555749.6200 -6.2306 -6.2662 PRESSURE: 1915200 -55.1232 40.8889 73.1666 40.8884 -200.992 50.1688 73.1675 50.1704 77.7608 GPRESSURE: 1915200 -4.98821 31.6351 69.051 35.1524 -140.421 -16.0395 113.544 -6.38573 60.162 PRESSAVG: 1915200 -73.5568 66.1122 -5.11174 66.1122 -30.3078 31.2834 -5.11176 31.2833 85.1943 GPRESSAVG: 1915200 -73.4516 65.3348 -4.28675 63.8621 -30.1635 29.6636 -6.03194 33.8887 85.3592 TIMING: 1915200 CPU: 5552.85, 0.00289787/step Wall: 5552.85, 0.00289787/step, 2.48315 hours remaining, 210.566406 MB of memory in use. ENERGY: 1915200 766.3277 2101.5144 1935.6093 106.5690 -207223.3617 18015.0347 0.0000 0.0000 34254.8759 -150043.4306 299.1564 -184298.3065 -149945.9529 297.2879 -59.4515 -28.4156 556081.3041 -6.2234 -6.0853 PRESSURE: 1915400 73.9348 17.3596 -71.6197 17.3604 -37.1317 18.9913 -71.6202 18.9901 205.816 GPRESSURE: 1915400 105.837 15.4974 -63.306 32.9448 7.30875 88.2472 -103.268 19.3752 227.402 PRESSAVG: 1915400 9.76473 4.01053 -18.374 4.0105 -23.3584 -27.2252 -18.3741 -27.2252 19.4618 GPRESSAVG: 1915400 10.7449 5.52565 -19.1766 3.73909 -23.5599 -26.547 -17.5451 -29.1274 18.988 TIMING: 1915400 CPU: 5553.43, 0.00290582/step Wall: 5553.43, 0.00290582/step, 2.48981 hours remaining, 210.566406 MB of memory in use. ENERGY: 1915400 714.7696 2050.5494 1955.2619 105.9221 -206765.7523 17875.9305 0.0000 0.0000 34054.5472 -150008.7717 297.4068 -184063.3189 -149912.2347 297.5708 80.8729 113.5157 554479.3732 1.9560 2.0576 PRESSURE: 1915600 -26.6731 -3.99657 -124.309 -3.99733 151.775 193.161 -124.31 193.162 -137.738 GPRESSURE: 1915600 -13.1284 -31.4779 -190.84 -38.9066 244.876 143.715 -149.821 216.603 -145 PRESSAVG: 1915600 67.5325 33.8453 -35.8094 33.8452 -43.176 -10.238 -35.8095 -10.238 15.7311 GPRESSAVG: 1915600 66.6529 32.1123 -35.9796 37.9434 -43.3725 -10.0704 -35.3635 -9.26959 16.9727 TIMING: 1915600 CPU: 5554.01, 0.00289382/step Wall: 5554.01, 0.00289382/step, 2.47936 hours remaining, 210.566406 MB of memory in use. ENERGY: 1915600 754.6165 2013.1511 1961.9878 113.3695 -206946.4218 18031.1838 0.0000 0.0000 34189.3714 -149882.7417 298.5843 -184072.1131 -149780.4557 296.9297 -4.2118 28.9157 555051.8814 13.3625 13.4177 PRESSURE: 1915800 111.285 -77.8876 -114.656 -77.8883 -30.8483 160.708 -114.658 160.707 68.6938 GPRESSURE: 1915800 168.002 -10.7112 -126.426 -117.237 13.686 33.9889 -164.824 132.04 75.065 PRESSAVG: 1915800 -23.6686 -7.7941 14.5278 -7.79407 59.7997 -37.6182 14.5278 -37.6182 -31.5893 GPRESSAVG: 1915800 -23.5877 -7.55608 16.4935 -9.84158 60.5986 -38.2545 13.5806 -38.6935 -32.2656 TIMING: 1915800 CPU: 5554.59, 0.00291196/step Wall: 5554.59, 0.00291196/step, 2.49474 hours remaining, 210.566406 MB of memory in use. ENERGY: 1915800 746.7630 2082.8306 1949.0791 106.6241 -206904.0913 18062.4554 0.0000 0.0000 34346.7609 -149609.5782 299.9588 -183956.3391 -149515.2234 297.7003 49.7102 85.5844 556850.9328 1.5139 1.5818 PRESSURE: 1916000 61.6211 -123.204 94.6008 -123.204 -108.594 6.82129 94.5997 6.82164 344.448 GPRESSURE: 1916000 60.6323 -51.8152 1.99032 -143.543 -37.3351 -50.7725 103.197 85.184 367.523 PRESSAVG: 1916000 -2.72495 -14.9512 -18.6386 -14.9511 -105.076 2.33503 -18.6385 2.33502 82 GPRESSAVG: 1916000 -2.27336 -15.4058 -20.1594 -14.7745 -105.2 2.97432 -20.5009 2.05131 81.6185 TIMING: 1916000 CPU: 5555.17, 0.00290119/step Wall: 5555.17, 0.00290119/step, 2.48535 hours remaining, 210.566406 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: 1916000 727.3351 2017.5555 1954.3769 113.1366 -206837.2129 18165.6952 0.0000 0.0000 33989.6080 -149869.5056 296.8397 -183859.1136 -149779.6657 297.7741 99.1582 130.2735 557671.9778 -8.6002 -8.6184 PRESSURE: 1916200 -116.274 -25.0985 -231.945 -25.0985 -83.6527 -132.969 -231.946 -132.968 -81.3274 GPRESSURE: 1916200 -65.9425 -19.0153 -185.674 -81.9139 -46.6659 -184.786 -222.633 -62.0702 -70.1233 PRESSAVG: 1916200 -4.30414 -15.8859 -33.1425 -15.8858 -4.97972 -40.0366 -33.1426 -40.0366 -7.21694 GPRESSAVG: 1916200 -4.28429 -15.4332 -32.3467 -16.8365 -5.32989 -37.8253 -31.1177 -41.0769 -6.22465 TIMING: 1916200 CPU: 5555.75, 0.00290534/step Wall: 5555.75, 0.00290534/step, 2.48874 hours remaining, 210.566406 MB of memory in use. ENERGY: 1916200 746.1689 2073.8176 1951.8880 110.6931 -206667.1526 17836.8683 0.0000 0.0000 33962.6068 -149985.1099 296.6039 -183947.7167 -149894.9623 296.9977 -93.7514 -60.9106 558055.4190 -5.5003 -5.2796 LDB: ============= START OF LOAD BALANCING ============== 5559.14 LDB: ============== END OF LOAD BALANCING =============== 5559.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5559.14 LDB: ============= START OF LOAD BALANCING ============== 5559.43 LDB: Largest compute 4820 load 0.027296 is 23.1% of average load 0.117919 LDB: Average compute 0.001744 is 1.5% of average load 0.117919 LDB: TIME 5559.43 LOAD: AVG 0.117919 MAX 0.18257 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 5559.43 LOAD: AVG 0.117919 MAX 0.18257 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 5559.43 LOAD: AVG 0.117919 MAX 0.18257 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5559.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5559.44 PRESSURE: 1916400 -102.187 47.5489 -58.2184 47.5491 -146.648 116.821 -58.2191 116.823 -79.7674 GPRESSURE: 1916400 -81.8798 58.8597 20.6228 15.3983 -120.071 33.1796 -142.067 52.769 -37.965 PRESSAVG: 1916400 -16.4749 27.8261 -0.205883 27.8262 -17.2909 -62.3607 -0.205904 -62.3607 10.4481 GPRESSAVG: 1916400 -16.2684 28.9072 1.11088 28.5092 -17.1396 -64.1799 -0.252304 -62.0895 10.1735 TIMING: 1916400 CPU: 5556.34, 0.00297377/step Wall: 5556.34, 0.00297377/step, 2.5472 hours remaining, 209.453125 MB of memory in use. ENERGY: 1916400 736.0543 2140.0986 1953.6558 122.6504 -206601.5614 17817.1177 0.0000 0.0000 33962.3999 -149869.5848 296.6021 -183831.9847 -149778.6223 297.5969 -109.5342 -79.9720 557571.7243 -7.7726 -7.7448 PRESSURE: 1916600 -150.133 -50.1709 -264.343 -50.1716 -172.328 -141.52 -264.345 -141.518 -430.787 GPRESSURE: 1916600 -111.781 27.8521 -290.743 -133.766 -123.793 -234.532 -283.94 -83.0826 -424.005 PRESSAVG: 1916600 53.934 -60.6269 -47.6531 -60.6269 -21.5021 -17.0106 -47.6531 -17.0106 -11.7163 GPRESSAVG: 1916600 54.002 -61.5095 -51.3667 -61.0525 -22.0737 -17.2977 -46.1122 -15.4734 -11.1352 TIMING: 1916600 CPU: 5556.92, 0.00289946/step Wall: 5556.92, 0.00289946/step, 2.48338 hours remaining, 209.558594 MB of memory in use. ENERGY: 1916600 745.2264 2046.2808 1945.5842 102.4400 -206027.1784 17415.4044 0.0000 0.0000 33865.5520 -149906.6906 295.7563 -183772.2426 -149809.3915 297.3970 -251.0827 -219.8596 558032.4903 6.9052 6.9310 PRESSURE: 1916800 -126.418 -196.504 67.0344 -196.502 -11.9099 63.2122 67.0345 63.2118 219.381 GPRESSURE: 1916800 -123.996 -265.85 37.8373 -181.493 72.3311 -8.12643 -3.96799 57.8883 228.322 PRESSAVG: 1916800 -50.1658 8.03636 -32.9289 8.03632 25.749 -86.0072 -32.9288 -86.0073 38.3116 GPRESSAVG: 1916800 -49.7182 8.63044 -30.8598 6.34732 26.6539 -85.3651 -34.6115 -88.184 37.4603 TIMING: 1916800 CPU: 5557.51, 0.00293331/step Wall: 5557.51, 0.00293331/step, 2.51222 hours remaining, 209.558594 MB of memory in use. ENERGY: 1916800 725.8968 2077.8991 1942.3644 124.0341 -206636.2643 17805.5357 0.0000 0.0000 34229.2528 -149731.2816 298.9326 -183960.5344 -149626.4847 297.6336 27.0178 58.8859 555286.1237 4.6316 4.7987 PRESSURE: 1917000 332.124 96.4435 -23.9562 96.4447 386.163 -164.978 -23.9574 -164.98 -325.702 GPRESSURE: 1917000 333.492 188.807 -11.7921 35.1938 395.668 -21.5825 -11.9446 -249.707 -240.267 PRESSAVG: 1917000 -13.5964 -69.466 21.2123 -69.466 15.3118 -63.5461 21.2123 -63.5461 -2.14722 GPRESSAVG: 1917000 -13.4305 -69.3736 21.5823 -66.5614 14.1984 -63.2444 21.5162 -63.1581 -1.42227 TIMING: 1917000 CPU: 5558.09, 0.0029048/step Wall: 5558.09, 0.0029048/step, 2.48764 hours remaining, 209.558594 MB of memory in use. ENERGY: 1917000 782.1993 2060.5295 1963.0388 116.1195 -206462.8572 18033.2961 0.0000 0.0000 33937.6419 -149570.0320 296.3859 -183507.6739 -149470.0773 298.1890 130.8616 162.9645 555714.0199 -0.1440 -0.2181 PRESSURE: 1917200 60.0487 104.737 26.2695 104.737 105.272 -13.8941 26.2686 -13.8924 -55.7605 GPRESSURE: 1917200 70.9004 120.291 19.7343 71.401 196.708 -36.7671 -22.7694 -65.926 -74.4082 PRESSAVG: 1917200 -86.8041 38.0058 10.7492 38.0058 84.3929 -66.0734 10.7492 -66.0734 12.5149 GPRESSAVG: 1917200 -87.6232 37.8235 10.0861 37.4653 86.2058 -67.7438 12.1937 -64.983 12.0344 TIMING: 1917200 CPU: 5558.68, 0.00291467/step Wall: 5558.68, 0.00291467/step, 2.49593 hours remaining, 209.558594 MB of memory in use. ENERGY: 1917200 744.0794 2018.3261 1998.0072 107.2667 -206462.8299 17982.3822 0.0000 0.0000 34040.8135 -149571.9548 297.2869 -183612.7683 -149477.3840 298.2438 36.5200 64.4002 557326.3575 3.3679 3.5390 PRESSURE: 1917400 -216.051 167.535 130.41 167.534 -16.7736 182.346 130.412 182.345 -252.963 GPRESSURE: 1917400 -134.366 133.96 203.201 124.892 -54.6794 210.103 122.055 152.487 -184.255 PRESSAVG: 1917400 -32.129 21.9421 6.06679 21.9421 37.1656 -41.5569 6.06683 -41.557 -10.5107 GPRESSAVG: 1917400 -31.0295 21.8526 6.18737 19.9188 35.9851 -40.4675 5.15699 -42.5954 -9.96655 TIMING: 1917400 CPU: 5559.26, 0.00290648/step Wall: 5559.26, 0.00290648/step, 2.48875 hours remaining, 209.609375 MB of memory in use. ENERGY: 1917400 749.2082 2051.5913 1977.6034 122.3829 -206625.4273 17790.9536 0.0000 0.0000 34411.1891 -149522.4988 300.5215 -183933.6880 -149428.7797 298.5106 -161.9292 -124.4335 557747.9035 -1.8247 -1.6703 PRESSURE: 1917600 -159.016 109.718 -3.80888 109.718 -163.204 -0.173808 -3.809 -0.174951 75.7343 GPRESSURE: 1917600 -127.418 104.59 11.0471 127.88 -109.504 -17.301 19.9824 -99.0264 84.5192 PRESSAVG: 1917600 33.787 19.1713 10.61 19.1713 -22.7129 -24.0931 10.6099 -24.093 12.7481 GPRESSAVG: 1917600 32.9946 18.9285 11.737 20.0895 -22.2385 -23.5265 10.0064 -24.6561 13.2463 TIMING: 1917600 CPU: 5559.84, 0.00289646/step Wall: 5559.84, 0.00289646/step, 2.48001 hours remaining, 209.609375 MB of memory in use. ENERGY: 1917600 704.0915 2124.8491 1968.9135 122.4962 -206218.2396 17682.3744 0.0000 0.0000 34198.5183 -149416.9966 298.6642 -183615.5149 -149315.7641 298.7850 -82.1619 -50.8009 556865.3436 7.9407 8.0008 PRESSURE: 1917800 -357.783 119.177 44.0849 119.177 -123.471 -12.1407 44.0848 -12.1406 -355.377 GPRESSURE: 1917800 -300.04 143.875 -11.33 128.074 -122.209 -140.063 -7.10972 81.2478 -313.333 PRESSAVG: 1917800 -13.8292 43.8106 3.43918 43.8107 -35.9153 -0.105971 3.43913 -0.106073 48.1239 GPRESSAVG: 1917800 -13.7261 44.4469 3.55768 41.9935 -35.0992 -0.627207 3.28418 1.34224 47.3537 TIMING: 1917800 CPU: 5560.41, 0.00287783/step Wall: 5560.41, 0.00287783/step, 2.4639 hours remaining, 209.609375 MB of memory in use. ENERGY: 1917800 800.6540 2102.6938 1966.3235 112.3341 -205781.1694 17397.3162 0.0000 0.0000 34157.3810 -149244.4669 298.3049 -183401.8479 -149153.6270 298.9727 -278.8769 -245.1940 556880.1658 -0.5402 -0.4906 PRESSURE: 1918000 -201.62 20.2437 72.3586 20.2441 -157.023 78.462 72.3584 78.4609 57.4437 GPRESSURE: 1918000 -135.007 132.332 40.8316 17.029 -85.4497 115.282 47.574 51.3333 16.969 PRESSAVG: 1918000 -14.3568 -15.874 -45.8817 -15.8739 21.832 6.37981 -45.8817 6.37976 8.60509 GPRESSAVG: 1918000 -14.502 -14.8081 -46.1508 -16.5774 21.5062 8.2132 -43.9615 7.34742 9.15635 TIMING: 1918000 CPU: 5560.99, 0.00288298/step Wall: 5560.99, 0.00288298/step, 2.46815 hours remaining, 209.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1918000 781.7932 2102.7028 1946.5713 127.1952 -206093.3982 17671.3148 0.0000 0.0000 34096.7888 -149367.0321 297.7757 -183463.8210 -149281.0527 299.4736 -100.3998 -67.8293 556377.8108 5.3601 5.3869 PRESSURE: 1918200 125.878 17.0515 12.6838 17.0513 5.12304 102.495 12.683 102.496 -100.471 GPRESSURE: 1918200 165.043 -25.0631 -34.1846 24.9384 39.6083 130.999 52.3397 16.5995 -67.1975 PRESSAVG: 1918200 -12.5102 26.4782 -4.93259 26.4783 48.9259 28.1924 -4.93267 28.1923 -72.3371 GPRESSAVG: 1918200 -11.5746 24.5197 -4.91249 27.4116 48.2939 26.812 -6.1465 26.6008 -72.5692 TIMING: 1918200 CPU: 5561.56, 0.00288155/step Wall: 5561.56, 0.00288155/step, 2.46677 hours remaining, 209.664062 MB of memory in use. ENERGY: 1918200 789.6814 2054.4332 1941.4596 124.9461 -206377.1421 17975.7288 0.0000 0.0000 34247.2758 -149243.6173 299.0900 -183490.8931 -149144.9359 298.8565 10.1766 45.8179 557744.1819 -11.9738 -11.9500 PRESSURE: 1918400 127.787 -63.0596 -16.8861 -63.0587 -137.621 -39.4258 -16.8861 -39.4273 -73.1183 GPRESSURE: 1918400 121.018 -121.456 14.212 -42.9842 -67.8869 -13.1431 -33.1096 -119.418 -45.7043 PRESSAVG: 1918400 -23.5318 -25.5877 -2.29901 -25.5877 -16.0317 -24.1861 -2.29891 -24.1862 18.0147 GPRESSAVG: 1918400 -23.4381 -25.5352 -3.61931 -22.5178 -16.587 -26.5178 -0.492412 -24.1025 18.863 TIMING: 1918400 CPU: 5562.14, 0.0028745/step Wall: 5562.14, 0.0028745/step, 2.46057 hours remaining, 209.664062 MB of memory in use. ENERGY: 1918400 732.7638 2044.3704 1983.7514 105.1914 -206220.5175 17886.8720 0.0000 0.0000 34203.7987 -149263.7698 298.7103 -183467.5684 -149164.9617 298.4556 -27.6507 2.4755 558222.0346 -7.1829 -7.0540 PRESSURE: 1918600 495.527 -138.403 -101.361 -138.403 16.6578 -140.337 -101.361 -140.337 83.5977 GPRESSURE: 1918600 451.017 -60.4374 -108.861 -227.037 48.4725 -194.486 -70.7928 -74.2415 184.348 PRESSAVG: 1918600 -40.3788 13.7511 -7.76981 13.751 -13.318 -16.9628 -7.76974 -16.9628 -12.5225 GPRESSAVG: 1918600 -39.9585 13.9426 -9.59175 10.5254 -13.2725 -15.4877 -4.41707 -16.5187 -12.5262 TIMING: 1918600 CPU: 5562.71, 0.00287129/step Wall: 5562.71, 0.00287129/step, 2.45766 hours remaining, 209.664062 MB of memory in use. ENERGY: 1918600 759.3019 2040.4951 1979.3489 110.2490 -206427.9945 18113.6748 0.0000 0.0000 34151.8449 -149273.0799 298.2566 -183424.9248 -149174.5590 298.3095 198.5943 227.9459 556953.2266 -22.0731 -21.9191 PRESSURE: 1918800 239.79 -61.0842 -77.4897 -61.0844 41.8932 -138.633 -77.4877 -138.633 -87.3001 GPRESSURE: 1918800 248.812 -64.6445 -86.7709 -62.3558 79.3657 -107.811 -80.5438 -128.089 -36.3347 PRESSAVG: 1918800 62.6738 31.8395 -45.9985 31.8395 -25.9102 2.71925 -45.9986 2.71921 10.5621 GPRESSAVG: 1918800 62.6251 31.4944 -43.0984 34.0112 -24.944 3.56271 -50.0133 2.82771 9.98509 TIMING: 1918800 CPU: 5563.29, 0.00286493/step Wall: 5563.29, 0.00286493/step, 2.45206 hours remaining, 209.664062 MB of memory in use. ENERGY: 1918800 748.2498 2054.9227 1939.8428 114.8561 -206321.5330 17935.2872 0.0000 0.0000 34238.6255 -149289.7488 299.0144 -183528.3743 -149186.3073 298.8332 64.7944 97.2809 555740.2474 15.7752 15.8887 PRESSURE: 1919000 -168.622 54.2534 -5.24813 54.2546 -75.3175 -58.2857 -5.24778 -58.286 -39.4678 GPRESSURE: 1919000 -106.369 84.7596 -8.04991 -20.8149 -58.4177 -105.906 25.2957 -43.0982 -31.671 PRESSAVG: 1919000 37.6093 48.6232 -47.1204 48.6232 7.63231 -16.6232 -47.1204 -16.6231 -45.4598 GPRESSAVG: 1919000 37.9701 49.5182 -47.4724 47.4643 6.40964 -16.4706 -46.0169 -17.4199 -44.4443 TIMING: 1919000 CPU: 5563.86, 0.00287195/step Wall: 5563.86, 0.00287195/step, 2.45791 hours remaining, 209.664062 MB of memory in use. ENERGY: 1919000 726.0059 2140.9361 1957.3950 113.1035 -206316.5077 17744.4961 0.0000 0.0000 34491.7022 -149142.8691 301.2246 -183634.5712 -149048.0801 299.2399 -94.4690 -65.4858 557680.7287 -0.0727 -0.0215 PRESSURE: 1919200 -70.3758 2.01837 42.0796 2.01871 -31.8562 0.598741 42.0786 0.601527 205.19 GPRESSURE: 1919200 38.7063 38.7516 46.2748 3.25907 -28.5771 -55.9631 -47.8546 82.9659 194.235 PRESSAVG: 1919200 2.91307 10.6978 -6.44593 10.6978 45.6826 -25.8024 -6.44591 -25.8024 -30.4976 GPRESSAVG: 1919200 2.45514 9.6779 -5.57087 9.67395 46.1093 -25.8092 -8.13121 -25.3833 -31.0839 TIMING: 1919200 CPU: 5564.43, 0.00286323/step Wall: 5564.43, 0.00286323/step, 2.45029 hours remaining, 209.664062 MB of memory in use. ENERGY: 1919200 750.6568 2040.4962 1975.5808 113.5831 -206478.7905 17956.1742 0.0000 0.0000 34468.9696 -149173.3297 301.0261 -183642.2993 -149073.1941 299.7896 34.3194 68.1214 557461.9962 6.0327 5.8268 PRESSURE: 1919400 -108.521 -56.0835 -75.8229 -56.0846 -104.024 47.8167 -75.8233 47.8178 65.9123 GPRESSURE: 1919400 -36.303 -40.889 -36.5893 -42.3019 -108.99 100.445 -117.862 8.63496 98.1072 PRESSAVG: 1919400 -17.5308 28.6122 40.8098 28.6121 -6.24857 -15.9749 40.8098 -15.9748 11.5541 GPRESSAVG: 1919400 -17.3514 28.9905 41.0491 30.736 -6.24524 -15.7631 41.4984 -16.4105 11.492 TIMING: 1919400 CPU: 5565.01, 0.00286933/step Wall: 5565.01, 0.00286933/step, 2.45535 hours remaining, 209.664062 MB of memory in use. ENERGY: 1919400 718.8093 2123.4565 1944.9756 106.4498 -206318.2180 17773.8699 0.0000 0.0000 34368.2129 -149282.4439 300.1462 -183650.6568 -149181.1630 299.2654 -48.8776 -15.7287 557082.3138 -4.0751 -4.0349 PRESSURE: 1919600 -244.331 12.9188 -45.4404 12.9189 -3.73151 -5.87487 -45.4401 -5.8746 64.0849 GPRESSURE: 1919600 -164.071 -40.4043 4.36088 59.8673 -17.7525 -24.7719 -67.3607 84.0206 90.2412 PRESSAVG: 1919600 -90.8456 -23.8139 -37.9846 -23.8138 102.388 4.35889 -37.9847 4.35899 1.96004 GPRESSAVG: 1919600 -91.512 -27.2585 -37.1024 -24.2842 102.652 2.83898 -39.3466 5.1808 2.48754 TIMING: 1919600 CPU: 5565.58, 0.00287783/step Wall: 5565.58, 0.00287783/step, 2.46246 hours remaining, 209.664062 MB of memory in use. ENERGY: 1919600 775.4673 2075.2109 1963.2913 115.2448 -206092.1606 17898.2709 0.0000 0.0000 33932.2064 -149332.4690 296.3384 -183264.6754 -149241.7392 299.2214 -61.3259 -30.5274 559051.9757 4.5007 4.5424 PRESSURE: 1919800 -174.653 -86.3854 87.133 -86.3846 -303.589 -183.358 87.1318 -183.358 -240.541 GPRESSURE: 1919800 -230.527 -109.284 49.4107 -98.0092 -194.649 -262.15 -8.82149 -187.238 -200.16 PRESSAVG: 1919800 29.4887 -56.3972 -19.4273 -56.3973 1.85149 -29.6505 -19.4274 -29.6505 0.341418 GPRESSAVG: 1919800 30.3573 -53.7444 -21.4986 -56.5237 1.68642 -29.211 -17.8339 -31.1615 -0.0922428 TIMING: 1919800 CPU: 5566.16, 0.0028826/step Wall: 5566.16, 0.0028826/step, 2.46638 hours remaining, 209.664062 MB of memory in use. ENERGY: 1919800 752.8689 2072.1230 1966.0543 109.5698 -205830.8084 17370.9013 0.0000 0.0000 34129.5982 -149429.6930 298.0623 -183559.2911 -149327.8157 299.0096 -239.5945 -208.4454 558005.3111 10.5605 10.6505 PRESSURE: 1920000 -80.8016 -8.42743 55.3467 -8.4278 -172.682 -52.1513 55.3467 -52.1524 213.807 GPRESSURE: 1920000 -4.49932 -50.9399 169.643 -69.4732 -149.094 -79.6026 -31.3969 29.8092 208.714 PRESSAVG: 1920000 -21.3134 -2.43135 4.35602 -2.43133 -29.8927 -27.3714 4.35603 -27.3715 47.5558 GPRESSAVG: 1920000 -21.439 -1.29326 4.12003 -5.36692 -29.877 -27.8057 4.75797 -23.1836 48.0582 TIMING: 1920000 CPU: 5566.74, 0.00288493/step Wall: 5566.74, 0.00288493/step, 2.46822 hours remaining, 209.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1920000 746.5892 2096.7514 1966.6391 106.6234 -206472.3490 17995.5382 0.0000 0.0000 34274.5363 -149285.6713 299.3281 -183560.2076 -149186.2787 298.9514 -13.2257 18.3736 558785.1366 -1.2168 -1.0859 PRESSURE: 1920200 -92.6312 -121.091 -84.0869 -121.09 -236.63 -39.0026 -84.0863 -39.0043 -250.824 GPRESSURE: 1920200 -24.6694 -136.148 -107.671 -172.149 -171.694 -68.114 -76.864 -17.0927 -290.161 PRESSAVG: 1920200 24.4791 -60.7697 -69.4896 -60.7697 -25.9272 9.2466 -69.4896 9.24658 -21.752 GPRESSAVG: 1920200 23.9555 -60.97 -68.9123 -60.993 -25.3031 9.55435 -69.4802 6.25927 -22.1349 TIMING: 1920200 CPU: 5567.31, 0.00288433/step Wall: 5567.31, 0.00288433/step, 2.46754 hours remaining, 209.664062 MB of memory in use. ENERGY: 1920200 763.0934 2095.6053 1949.2565 121.6179 -206007.3366 17729.8158 0.0000 0.0000 34044.0726 -149303.8752 297.3154 -183347.9478 -149210.9424 299.7304 -193.3616 -162.1747 558332.3961 -7.7334 -7.8275 LDB: ============= START OF LOAD BALANCING ============== 5570.7 LDB: ============== END OF LOAD BALANCING =============== 5570.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5570.7 LDB: ============= START OF LOAD BALANCING ============== 5570.99 LDB: Largest compute 4820 load 0.027399 is 23.2% of average load 0.117849 LDB: Average compute 0.001738 is 1.5% of average load 0.117849 LDB: TIME 5570.99 LOAD: AVG 0.117849 MAX 0.181945 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.512 MB LDB: TIME 5570.99 LOAD: AVG 0.117849 MAX 0.181945 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: TIME 5570.99 LOAD: AVG 0.117849 MAX 0.181945 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: ============== END OF LOAD BALANCING =============== 5571 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 PRESSURE: 1920400 -164.906 -75.4041 55.6983 -75.4035 -441.598 103.342 55.6983 103.342 -142.784 GPRESSURE: 1920400 -47.9953 -37.0596 1.50339 -120.271 -473.036 54.1975 61.1878 116.656 -126.075 PRESSAVG: 1920400 30.8801 -50.9754 -41.5471 -50.9753 11.0723 -55.8167 -41.5471 -55.8166 -51.6453 GPRESSAVG: 1920400 31.3456 -50.3282 -40.5064 -50.2499 10.3522 -56.2197 -42.9827 -54.9922 -51.6935 TIMING: 1920400 CPU: 5567.91, 0.0029613/step Wall: 5567.91, 0.0029613/step, 2.53323 hours remaining, 208.871094 MB of memory in use. ENERGY: 1920400 774.6737 2075.0354 1964.6301 115.1970 -206012.3433 17500.3399 0.0000 0.0000 34228.1181 -149354.3491 298.9227 -183582.4672 -149259.5397 299.1051 -249.7627 -215.7022 558101.7212 -3.2310 -3.3319 PRESSURE: 1920600 -134.273 85.5902 -40.5145 85.5905 112.97 156.767 -40.5141 156.766 12.0352 GPRESSURE: 1920600 -46.0899 189.973 -37.361 101.963 110.578 49.3372 -125.722 230.3 20.3063 PRESSAVG: 1920600 -45.9571 -2.35203 -14.7219 -2.35207 -30.6421 -2.80719 -14.7219 -2.80728 87.8756 GPRESSAVG: 1920600 -44.2497 -1.84249 -15.3768 -2.61065 -31.3694 -3.91035 -11.8686 -2.4566 86.0289 TIMING: 1920600 CPU: 5568.48, 0.0028875/step Wall: 5568.48, 0.0028875/step, 2.46993 hours remaining, 208.871094 MB of memory in use. ENERGY: 1920600 745.8702 2058.3988 1913.9445 110.1501 -206652.2571 17913.1456 0.0000 0.0000 34322.0142 -149588.7336 299.7427 -183910.7478 -149488.6556 298.8851 -3.0893 28.2649 556813.1874 3.7588 3.4699 PRESSURE: 1920800 322.494 -8.1257 90.7567 -8.12543 37.987 22.3581 90.7566 22.358 108.43 GPRESSURE: 1920800 373.248 73.4278 88.1489 -62.3936 70.9641 -38.5471 90.429 41.6479 127.11 PRESSAVG: 1920800 -5.55976 14.7371 25.0257 14.7371 11.8973 7.82943 25.0256 7.8293 11.1071 GPRESSAVG: 1920800 -8.10118 13.144 25.7768 16.7368 13.6307 9.89435 24.2112 6.89106 12.0479 TIMING: 1920800 CPU: 5569.06, 0.00287747/step Wall: 5569.06, 0.00287747/step, 2.46119 hours remaining, 208.871094 MB of memory in use. ENERGY: 1920800 711.9411 2065.5524 1957.8222 108.7975 -206454.1494 17904.9175 0.0000 0.0000 34071.6454 -149633.4733 297.5562 -183705.1187 -149536.6141 298.2535 156.3037 190.4409 556457.1818 5.8149 5.8592 PRESSURE: 1921000 183.668 44.0758 22.479 44.0742 206.964 -135.7 22.4779 -135.699 -18.8996 GPRESSURE: 1921000 222.487 32.4259 43.5682 94.1969 236.315 -142.191 7.48824 -89.0171 -0.679008 PRESSAVG: 1921000 47.2078 14.3466 -4.54184 14.3466 -41.8837 -11.0456 -4.54178 -11.0456 -3.60177 GPRESSAVG: 1921000 48.9521 14.0941 -5.30315 14.104 -43.5174 -11.8252 -5.50024 -11.6079 -3.54581 TIMING: 1921000 CPU: 5569.63, 0.00288043/step Wall: 5569.63, 0.00288043/step, 2.46356 hours remaining, 208.871094 MB of memory in use. ENERGY: 1921000 765.7583 2081.3897 1956.3064 108.9703 -206455.6226 18036.5532 0.0000 0.0000 33966.9906 -149539.6541 296.6422 -183506.6446 -149443.6405 297.7815 123.9105 152.7076 557408.8862 0.5741 0.6296 PRESSURE: 1921200 -2.54231 -208.487 61.2662 -208.488 15.0724 -5.1032 61.2649 -5.10328 426.227 GPRESSURE: 1921200 36.6481 -191.447 51.6645 -211.568 53.8569 -37.4842 40.8071 88.4084 456.298 PRESSAVG: 1921200 -10.9531 10.1913 43.9842 10.1913 11.9048 -39.0887 43.9842 -39.0886 -17.8841 GPRESSAVG: 1921200 -10.5666 12.557 45.449 10.1249 11.8692 -38.2649 43.6629 -39.1417 -17.9462 TIMING: 1921200 CPU: 5570.21, 0.00288498/step Wall: 5570.21, 0.00288498/step, 2.4673 hours remaining, 208.871094 MB of memory in use. ENERGY: 1921200 692.6216 2124.1218 1990.2504 110.9030 -206582.9817 17972.4366 0.0000 0.0000 34170.2896 -149522.3587 298.4176 -183692.6483 -149425.6277 298.3997 146.2523 182.2677 555729.2129 -5.6442 -5.5479 PRESSURE: 1921400 129.065 23.241 138.683 23.2409 -131.506 70.7171 138.682 70.7184 -74.9709 GPRESSURE: 1921400 166.419 -36.9492 171.096 49.3014 -83.1823 -12.8169 137.508 44.3051 -59.0768 PRESSAVG: 1921400 -5.69052 44.1117 7.10046 44.1117 16.6723 28.1757 7.10033 28.1756 38.3948 GPRESSAVG: 1921400 -6.52183 42.3735 6.23459 45.5753 17.5527 26.7605 6.54156 28.618 38.2431 TIMING: 1921400 CPU: 5570.79, 0.00288494/step Wall: 5570.79, 0.00288494/step, 2.4671 hours remaining, 208.871094 MB of memory in use. ENERGY: 1921400 757.1587 2035.7521 1973.4647 109.7496 -206040.8326 17663.4591 0.0000 0.0000 34223.5919 -149277.6563 298.8831 -183501.2483 -149184.9649 298.8449 -25.8040 8.0532 556054.8234 16.4588 16.4247 PRESSURE: 1921600 -131.583 -10.9229 -34.33 -10.9214 11.9741 -104.116 -34.3286 -104.115 224.936 GPRESSURE: 1921600 -97.4501 -22.7057 59.2552 24.4702 58.1582 -220.407 48.4 -84.0674 234.269 PRESSAVG: 1921600 54.6076 27.1876 38.8136 27.1876 -89.1571 -78.1114 38.8135 -78.1114 61.4224 GPRESSAVG: 1921600 54.1325 26.4648 40.8402 25.6745 -89.6197 -78.3135 38.9178 -78.2111 62.3083 TIMING: 1921600 CPU: 5571.37, 0.00289849/step Wall: 5571.37, 0.00289849/step, 2.47853 hours remaining, 208.871094 MB of memory in use. ENERGY: 1921600 754.3544 2104.5835 1929.2671 112.8621 -206042.2386 17828.8557 0.0000 0.0000 34161.2367 -149151.0792 298.3386 -183312.3159 -149065.4559 298.7381 35.1090 64.9925 557444.7256 8.9576 8.9404 PRESSURE: 1921800 -120.099 -155.955 128.319 -155.954 -16.6544 83.3673 128.318 83.3656 -111.036 GPRESSURE: 1921800 -134.698 -102.72 42.0501 -226.272 34.7832 68.4798 227.202 69.9817 -48.1497 PRESSAVG: 1921800 35.7948 -16.7856 31.0039 -16.7856 -13.843 -40.9973 31.0039 -40.9974 -31.2472 GPRESSAVG: 1921800 35.0398 -14.5769 28.8255 -17.136 -13.7044 -41.7895 32.7332 -40.8606 -31.0507 TIMING: 1921800 CPU: 5571.94, 0.00287882/step Wall: 5571.94, 0.00287882/step, 2.46155 hours remaining, 208.871094 MB of memory in use. ENERGY: 1921800 784.8419 2114.7720 1969.9505 107.1644 -205848.4591 17478.2896 0.0000 0.0000 34283.5989 -149109.8417 299.4072 -183393.4406 -149011.1343 299.7317 -82.5966 -49.3550 557154.7587 -3.0985 -3.2384 PRESSURE: 1922000 205.623 -138.964 -282.185 -138.962 0.674351 83.976 -282.186 83.9758 -20.097 GPRESSURE: 1922000 271.452 -171.463 -233.198 -6.77361 -3.79048 87.4511 -245.579 -0.709567 15.5138 PRESSAVG: 1922000 11.6744 14.2941 -11.676 14.2941 -21.2178 -38.737 -11.676 -38.7371 -15.3567 GPRESSAVG: 1922000 13.1242 13.6501 -10.7133 13.468 -22.1318 -37.0345 -10.2134 -40.5474 -15.7942 TIMING: 1922000 CPU: 5572.52, 0.00288259/step Wall: 5572.52, 0.00288259/step, 2.46462 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1922000 736.6370 2072.8782 1970.2536 110.1030 -206011.0053 17826.8976 0.0000 0.0000 34075.4718 -149218.7642 297.5896 -183294.2360 -149127.6522 300.4534 62.0667 94.3917 557059.5545 -8.3001 -8.2672 PRESSURE: 1922200 -206.798 259.455 29.0769 259.453 -81.361 114.424 29.0762 114.423 -16.1888 GPRESSURE: 1922200 -146.586 244.727 -26.5047 151.864 -89.2523 169.395 20.781 128.721 37.7528 PRESSAVG: 1922200 38.3182 50.9379 15.9474 50.9379 -25.7019 18.8479 15.9474 18.8478 -15.0098 GPRESSAVG: 1922200 37.8197 49.7969 15.5897 52.0327 -25.242 18.6134 13.0584 19.7666 -15.3514 TIMING: 1922200 CPU: 5573.1, 0.00289167/step Wall: 5573.1, 0.00289167/step, 2.47222 hours remaining, 208.871094 MB of memory in use. ENERGY: 1922200 767.2379 2061.8601 1970.1956 113.4554 -206083.2125 17614.8334 0.0000 0.0000 34223.3641 -149332.2660 298.8812 -183555.6301 -149239.1334 299.1702 -101.4492 -66.0284 557702.1526 -0.7979 -0.9246 PRESSURE: 1922400 74.8458 100.946 -120.172 100.947 87.5812 -3.91488 -120.172 -3.91636 122.256 GPRESSURE: 1922400 128.098 96.5088 -176.805 129.875 81.8879 -80.5697 -21.1777 35.4781 156.893 PRESSAVG: 1922400 11.5221 20.3707 10.0153 20.3706 -11.1362 8.39916 10.0153 8.39912 -6.45514 GPRESSAVG: 1922400 10.8529 22.0913 8.89966 18.0257 -10.6636 6.60327 12.4922 10.607 -6.70036 TIMING: 1922400 CPU: 5573.68, 0.00288137/step Wall: 5573.68, 0.00288137/step, 2.46326 hours remaining, 208.871094 MB of memory in use. ENERGY: 1922400 760.6395 2039.3823 1952.1441 108.4556 -206590.8104 18073.8916 0.0000 0.0000 34486.3379 -149169.9594 301.1778 -183656.2973 -149071.5774 299.4316 94.8942 122.2928 556692.3631 -2.0231 -2.1704 PRESSURE: 1922600 -335.473 -1.01776 146.563 -1.01853 -70.0789 -110.477 146.562 -110.478 -282.838 GPRESSURE: 1922600 -280.179 20.7939 109.256 -18.6435 -66.1904 -154.919 74.0632 -89.2462 -249.3 PRESSAVG: 1922600 21.0121 5.2664 18.7011 5.26637 -31.4059 77.2189 18.7012 77.219 43.5443 GPRESSAVG: 1922600 20.6305 4.891 18.5639 7.14715 -31.6248 78.5675 19.0982 75.4823 44.3838 TIMING: 1922600 CPU: 5574.25, 0.00287758/step Wall: 5574.25, 0.00287758/step, 2.45985 hours remaining, 208.871094 MB of memory in use. ENERGY: 1922600 737.7738 2053.5476 1972.4557 117.9379 -206175.0408 17653.0498 0.0000 0.0000 34371.0783 -149269.1977 300.1712 -183640.2760 -149169.9971 299.6825 -229.4633 -198.5566 558521.5913 11.0502 11.1298 PRESSURE: 1922800 -6.58986 62.7103 69.7504 62.7106 58.7428 60.9463 69.7516 60.9465 -101.576 GPRESSURE: 1922800 25.2022 4.5947 86.83 117.648 114.329 78.3542 -15.6356 77.4559 -100.169 PRESSAVG: 1922800 -29.5265 -8.67143 33.4374 -8.67147 31.5312 -33.9837 33.4374 -33.9835 34.7104 GPRESSAVG: 1922800 -29.0049 -8.06805 33.2679 -9.38617 30.5958 -33.5501 32.441 -33.1138 35.0593 TIMING: 1922800 CPU: 5574.83, 0.00288815/step Wall: 5574.83, 0.00288815/step, 2.46872 hours remaining, 208.871094 MB of memory in use. ENERGY: 1922800 752.6622 2093.8989 1948.4013 104.2214 -206337.9434 17985.3510 0.0000 0.0000 34334.5478 -149118.8608 299.8521 -183453.4086 -149025.4595 299.3757 -16.4742 13.1206 558447.5979 12.2383 12.2168 PRESSURE: 1923000 281.045 -100.239 -9.20405 -100.238 -20.9937 70.5211 -9.20497 70.5222 -77.3069 GPRESSURE: 1923000 283.756 -27.7893 2.10712 -98.4766 52.7115 143.49 -33.1805 26.4177 -44.666 PRESSAVG: 1923000 16.1448 -29.2114 52.1094 -29.2114 -57.2963 23.3158 52.1093 23.3159 21.2129 GPRESSAVG: 1923000 16.9769 -29.2229 50.8248 -29.9857 -56.3693 23.6604 53.2696 23.1246 19.3468 TIMING: 1923000 CPU: 5575.41, 0.00289376/step Wall: 5575.41, 0.00289376/step, 2.47336 hours remaining, 208.871094 MB of memory in use. ENERGY: 1923000 737.5937 2042.6211 1984.3048 101.3748 -206339.0025 17920.2143 0.0000 0.0000 34434.2275 -149118.6663 300.7227 -183552.8938 -149022.6869 299.3248 60.9147 97.2671 556693.7095 -6.6462 -6.6819 PRESSURE: 1923200 -34.2133 43.3727 14.1484 43.3733 -267.229 203.235 14.1486 203.235 41.4262 GPRESSURE: 1923200 6.88949 37.2497 -6.63664 35.3848 -244.133 238.29 110.102 218.067 68.1166 PRESSAVG: 1923200 31.6623 54.7891 -5.22196 54.789 -51.106 49.4557 -5.22209 49.4557 57.475 GPRESSAVG: 1923200 31.2279 54.7575 -4.2842 56.4945 -52.6454 48.4323 -6.72539 49.6819 58.8482 TIMING: 1923200 CPU: 5575.98, 0.00287395/step Wall: 5575.98, 0.00287395/step, 2.45627 hours remaining, 208.941406 MB of memory in use. ENERGY: 1923200 751.9422 2065.4277 1967.6966 105.5893 -205906.7893 17723.1727 0.0000 0.0000 34379.4937 -148913.4671 300.2447 -183292.9608 -148819.3179 299.4863 -86.6722 -56.3757 557513.3626 12.6771 12.4769 PRESSURE: 1923400 326.475 -57.8159 -150.622 -57.8161 96.2004 1.05408 -150.623 1.05374 128.664 GPRESSURE: 1923400 339.114 -101.736 -93.5238 14.4027 137.378 0.570537 -205.414 -25.4074 165.154 PRESSAVG: 1923400 -9.83819 60.1489 52.7707 60.1489 39.0412 4.05306 52.7706 4.05296 16.1809 GPRESSAVG: 1923400 -11.6838 59.0157 53.015 61.0574 40.4414 4.7543 53.5128 5.36154 16.6255 TIMING: 1923400 CPU: 5576.56, 0.0028749/step Wall: 5576.56, 0.0028749/step, 2.45692 hours remaining, 209.140625 MB of memory in use. ENERGY: 1923400 737.1454 2059.2945 1952.7686 124.2676 -206273.0701 18086.8788 0.0000 0.0000 34473.7772 -148838.9382 301.0681 -183312.7153 -148743.5900 300.9907 183.7800 213.8823 557260.5105 15.1280 15.1277 PRESSURE: 1923600 -19.5249 -154.274 -130.633 -154.274 115.574 35.5997 -130.632 35.6 56.4816 GPRESSURE: 1923600 -2.34721 -77.5338 -86.0634 -185.539 172.145 88.2716 -193.038 -42.2537 87.2909 PRESSAVG: 1923600 -64.2657 -0.657453 -28.6576 -0.657428 73.3786 -55.8959 -28.6576 -55.8959 -3.31464 GPRESSAVG: 1923600 -63.2082 0.576508 -28.3597 -0.379527 71.4259 -56.5938 -30.6796 -56.0463 -2.51443 TIMING: 1923600 CPU: 5577.14, 0.00289219/step Wall: 5577.14, 0.00289219/step, 2.47154 hours remaining, 209.140625 MB of memory in use. ENERGY: 1923600 734.9961 2044.9710 1975.4783 114.7333 -205967.4644 17839.6661 0.0000 0.0000 34340.7080 -148916.9117 299.9059 -183257.6196 -148822.5526 300.1894 50.8436 85.6961 556659.0306 1.9328 1.9011 PRESSURE: 1923800 -112.821 17.2134 -35.6472 17.2132 -64.2482 112.417 -35.6471 112.418 -96.7505 GPRESSURE: 1923800 -94.4482 103.445 -6.26255 -62.6914 35.0829 152.882 -60.0329 138.38 -111.16 PRESSAVG: 1923800 -43.9678 9.48264 31.3386 9.48261 95.4258 31.2417 31.3386 31.2418 -27.2929 GPRESSAVG: 1923800 -43.5353 9.8133 31.1664 8.48936 96.7454 30.3552 32.8127 31.3945 -28.7799 TIMING: 1923800 CPU: 5577.72, 0.00291473/step Wall: 5577.72, 0.00291473/step, 2.49064 hours remaining, 209.140625 MB of memory in use. ENERGY: 1923800 784.0149 2043.1317 1995.7412 111.0069 -205868.2245 17607.3095 0.0000 0.0000 34202.6877 -149124.3326 298.7006 -183327.0203 -149036.5601 299.5715 -91.2734 -56.8417 558181.3476 8.0550 8.1434 PRESSURE: 1924000 196.718 -51.341 -74.4353 -51.3408 197.632 -96.2789 -74.433 -96.2802 313.616 GPRESSURE: 1924000 257.534 6.08989 -28.6222 -17.5446 221.048 -121.883 -98.6927 -70.4096 332.62 PRESSAVG: 1924000 -55.1594 16.7255 -5.71827 16.7255 1.29911 -61.4919 -5.71823 -61.4919 36.4049 GPRESSAVG: 1924000 -54.05 15.3151 -6.12361 18.0612 0.831512 -59.8671 -5.85877 -61.6479 35.4922 TIMING: 1924000 CPU: 5578.3, 0.00290978/step Wall: 5578.3, 0.00290978/step, 2.48625 hours remaining, 209.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1924000 717.1715 2080.3912 1954.9234 100.4929 -206040.6075 17880.1821 0.0000 0.0000 34219.0439 -149088.4024 298.8434 -183307.4464 -148994.3239 299.8203 235.9887 270.4008 556029.1794 -5.8185 -5.9088 PRESSURE: 1924200 -72.5493 -36.4548 64.485 -36.4546 -271.356 71.3209 64.4849 71.3204 -118.902 GPRESSURE: 1924200 -64.9659 -176.974 70.8869 -107.403 -243.233 86.6099 -70.2702 26.6185 -47.4433 PRESSAVG: 1924200 -13.0995 -25.7095 30.8243 -25.7095 -28.4131 -41.8851 30.8243 -41.8852 31.7624 GPRESSAVG: 1924200 -14.0267 -24.7591 32.564 -29.1844 -28.4362 -43.9257 30.0195 -43.1726 32.3522 TIMING: 1924200 CPU: 5578.88, 0.00289022/step Wall: 5578.88, 0.00289022/step, 2.46937 hours remaining, 209.140625 MB of memory in use. ENERGY: 1924200 745.2457 2029.4747 1969.4007 122.8863 -206147.1596 17609.9434 0.0000 0.0000 34330.4731 -149339.7358 299.8166 -183670.2089 -149250.2248 299.3524 -154.2691 -118.5476 555990.3842 -3.2501 -3.3702 LDB: ============= START OF LOAD BALANCING ============== 5582.26 LDB: ============== END OF LOAD BALANCING =============== 5582.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5582.26 LDB: ============= START OF LOAD BALANCING ============== 5582.55 LDB: Largest compute 4820 load 0.028343 is 24.0% of average load 0.117952 LDB: Average compute 0.001731 is 1.5% of average load 0.117952 LDB: TIME 5582.56 LOAD: AVG 0.117952 MAX 0.18027 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.07 MB LDB: TIME 5582.56 LOAD: AVG 0.117952 MAX 0.18027 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 5582.56 LOAD: AVG 0.117952 MAX 0.18027 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5582.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5582.56 PRESSURE: 1924400 -530.648 46.752 17.7086 46.7524 -547.173 246.257 17.7078 246.257 -15.3402 GPRESSURE: 1924400 -477.167 56.5625 8.99761 -3.82342 -553.181 244.348 -54.9137 139.122 41.2161 PRESSAVG: 1924400 -62.5066 -47.0123 53.4255 -47.0122 17.6569 -17.5123 53.4255 -17.5122 20.3493 GPRESSAVG: 1924400 -61.4186 -47.1255 51.3706 -46.2978 16.7686 -17.4867 55.0028 -15.4893 20.0138 TIMING: 1924400 CPU: 5579.47, 0.00294122/step Wall: 5579.47, 0.00294122/step, 2.51278 hours remaining, 209.898438 MB of memory in use. ENERGY: 1924400 738.2787 2058.6112 1993.4426 115.7985 -205557.0611 17192.5073 0.0000 0.0000 34166.9775 -149291.4453 298.3887 -183458.4228 -149192.4089 298.9636 -364.3868 -329.7107 558425.2830 -8.1668 -8.2121 PRESSURE: 1924600 -138.133 -99.795 13.2495 -99.7953 -8.99576 155.021 13.2485 155.022 59.2933 GPRESSURE: 1924600 -170.782 -78.2196 27.6402 -83.7961 87.7347 204.144 -38.5049 124.369 90.9772 PRESSAVG: 1924600 -40.4384 -13.5415 13.4279 -13.5415 -25.4469 2.16993 13.4277 2.16995 29.6068 GPRESSAVG: 1924600 -41.8438 -11.9915 15.258 -15.3228 -25.1486 1.18412 12.3716 -0.155573 30.5679 TIMING: 1924600 CPU: 5580.05, 0.00292673/step Wall: 5580.05, 0.00292673/step, 2.50024 hours remaining, 210.062500 MB of memory in use. ENERGY: 1924600 730.8390 2093.2653 1970.0016 118.4231 -206021.9704 17712.7994 0.0000 0.0000 34208.3731 -149188.2689 298.7502 -183396.6420 -149094.3905 299.2703 -29.2786 2.6435 556994.4828 -12.0928 -12.1415 PRESSURE: 1924800 -107.77 137.754 191.121 137.754 91.4394 81.2316 191.121 81.2296 166.369 GPRESSURE: 1924800 -21.3513 76.0421 186.838 166.968 60.7099 73.8555 161.315 11.3512 215.092 PRESSAVG: 1924800 -28.2118 38.7726 5.58722 38.7725 113.611 42.4063 5.58717 42.4062 -51.0963 GPRESSAVG: 1924800 -28.8846 37.5693 4.4509 42.0254 115.369 42.2423 5.39317 43.2196 -51.6729 TIMING: 1924800 CPU: 5580.63, 0.00288784/step Wall: 5580.63, 0.00288784/step, 2.46685 hours remaining, 210.062500 MB of memory in use. ENERGY: 1924800 750.3457 2094.3228 1947.2871 120.1652 -206141.6243 17945.6340 0.0000 0.0000 34097.9685 -149185.9011 297.7860 -183283.8696 -149094.1389 299.2800 50.0131 84.8168 556614.5649 11.4344 11.6037 PRESSURE: 1925000 58.3616 -98.8019 -24.5418 -98.8011 46.1787 29.8693 -24.5415 29.8701 250.325 GPRESSURE: 1925000 92.2948 -150.521 86.4232 -91.0971 92.8943 30.7061 -94.2459 -14.1189 252.912 PRESSAVG: 1925000 -18.8054 37.687 15.8834 37.6871 17.6246 26.7677 15.8833 26.7677 -15.5565 GPRESSAVG: 1925000 -16.932 38.2285 17.6862 34.679 15.4198 27.4903 16.189 26.0861 -15.2001 TIMING: 1925000 CPU: 5581.21, 0.00290202/step Wall: 5581.21, 0.00290202/step, 2.47881 hours remaining, 210.062500 MB of memory in use. ENERGY: 1925000 742.5970 2050.7180 1987.2147 115.6924 -206417.9180 17924.0216 0.0000 0.0000 34419.2672 -149178.4071 300.5920 -183597.6742 -149082.2213 299.6708 118.2882 146.0337 558118.8052 -5.5791 -5.5708 PRESSURE: 1925200 44.742 14.9923 59.9257 14.9917 -2.14794 -122.037 59.9248 -122.037 77.1339 GPRESSURE: 1925200 28.3994 24.7159 91.4364 -41.0389 30.1054 -127.577 33.077 -191.996 160.557 PRESSAVG: 1925200 -14.4426 -23.7779 67.8736 -23.7779 -15.0991 47.6733 67.8734 47.6733 64.2328 GPRESSAVG: 1925200 -16.0329 -24.0918 66.991 -22.6394 -13.0035 46.3768 67.8199 47.6017 63.5634 TIMING: 1925200 CPU: 5581.79, 0.00292609/step Wall: 5581.79, 0.00292609/step, 2.49921 hours remaining, 210.062500 MB of memory in use. ENERGY: 1925200 741.2180 2060.7868 1969.4709 122.4591 -206225.3913 17789.4991 0.0000 0.0000 34350.1145 -149191.8430 299.9881 -183541.9574 -149091.6147 299.1253 39.9093 73.0206 557352.6470 11.5637 11.5090 PRESSURE: 1925400 86.2096 -234.725 -70.3471 -234.725 -278.291 -161.611 -70.3479 -161.612 -104.767 GPRESSURE: 1925400 28.1147 -157.773 -81.2931 -231.088 -141.226 -198.56 -83.6741 -30.2205 -73.7433 PRESSAVG: 1925400 35.7977 -31.9949 -13.7971 -31.9948 -12.3565 -51.5886 -13.7971 -51.5886 -27.8521 GPRESSAVG: 1925400 37.4139 -31.4967 -14.3299 -32.166 -12.9413 -51.066 -13.9107 -51.4817 -28.5366 TIMING: 1925400 CPU: 5582.38, 0.00291073/step Wall: 5582.38, 0.00291073/step, 2.48593 hours remaining, 210.062500 MB of memory in use. ENERGY: 1925400 780.5076 2058.1659 1973.9823 109.1813 -205922.8833 17593.0806 0.0000 0.0000 34236.2474 -149171.7182 298.9937 -183407.9656 -149072.4102 299.9172 -98.9496 -62.2848 558155.2012 -1.4703 -1.3546 PRESSURE: 1925600 -63.6625 -152.655 -117.129 -152.655 -58.483 14.2326 -117.128 14.2317 -151.821 GPRESSURE: 1925600 -91.9136 -174.851 -99.1448 -155.225 -11.5408 50.0819 -173.845 63.0554 -87.6133 PRESSAVG: 1925600 34.3097 2.80127 -19.6156 2.80126 10.3905 36.2995 -19.6157 36.2996 0.23844 GPRESSAVG: 1925600 31.9889 5.05882 -19.1466 2.74998 11.0518 35.6109 -18.6554 36.3545 1.23445 TIMING: 1925600 CPU: 5582.96, 0.00289923/step Wall: 5582.96, 0.00289923/step, 2.47594 hours remaining, 210.062500 MB of memory in use. ENERGY: 1925600 745.8807 2093.1305 1932.9587 102.5620 -206242.7512 17704.0750 0.0000 0.0000 34420.6119 -149243.5323 300.6038 -183664.1442 -149145.3882 299.8090 -91.3222 -63.6893 557790.5299 14.9795 14.7584 PRESSURE: 1925800 -24.8008 166.973 34.4294 166.972 32.2093 -1.13087 34.4303 -1.12847 -245.215 GPRESSURE: 1925800 60.8416 172.677 90.0052 148.309 13.6419 38.3719 -19.3861 58.1419 -209.991 PRESSAVG: 1925800 70.6879 42.8834 -16.8714 42.8834 -0.286605 79.7747 -16.8714 79.7747 -51.6739 GPRESSAVG: 1925800 72.7217 40.4126 -18.9684 43.6607 -2.38571 80.9268 -15.934 81.0616 -51.818 TIMING: 1925800 CPU: 5583.53, 0.00287694/step Wall: 5583.53, 0.00287694/step, 2.45675 hours remaining, 210.062500 MB of memory in use. ENERGY: 1925800 786.2024 2120.1772 1952.4894 103.5292 -205918.5194 17535.5162 0.0000 0.0000 34242.9364 -149177.6686 299.0521 -183420.6050 -149077.8450 299.0546 -79.2689 -45.1691 556657.8554 6.2424 6.1727 PRESSURE: 1926000 153.838 62.5989 76.0051 62.598 -26.5289 -103.946 76.0047 -103.947 -48.0002 GPRESSURE: 1926000 192.668 116.66 85.7177 91.3015 -18.3399 -44.7375 122.867 -65.0624 -11.2503 PRESSAVG: 1926000 31.626 2.26543 8.43263 2.2654 -1.43571 52.0787 8.43251 52.0786 -33.0472 GPRESSAVG: 1926000 31.6483 1.23853 8.75953 4.81475 -1.11055 51.8437 7.64736 51.4138 -33.9052 TIMING: 1926000 CPU: 5584.11, 0.00288008/step Wall: 5584.11, 0.00288008/step, 2.45927 hours remaining, 210.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1926000 740.2298 2137.5382 1957.7455 105.6020 -206259.5690 17884.0896 0.0000 0.0000 34246.3461 -149188.0179 299.0819 -183434.3639 -149092.9192 299.4940 26.4365 54.3594 557269.8848 -0.9523 -1.1225 PRESSURE: 1926200 -10.1029 -16.8087 -59.4446 -16.8081 94.7466 28.375 -59.4448 28.3745 -141.702 GPRESSURE: 1926200 48.6116 -66.2428 -138.185 41.8801 91.9259 -3.87863 -46.9265 23.005 -96.5204 PRESSAVG: 1926200 52.484 -0.438678 -21.4785 -0.438709 7.05242 -20.1524 -21.4785 -20.1525 -60.6829 GPRESSAVG: 1926200 52.312 1.24605 -21.7331 -1.19655 7.03351 -17.8581 -20.7897 -22.7515 -60.6843 TIMING: 1926200 CPU: 5584.68, 0.00287121/step Wall: 5584.68, 0.00287121/step, 2.45153 hours remaining, 210.062500 MB of memory in use. ENERGY: 1926200 726.8797 2126.5801 1971.8379 108.4617 -205770.6780 17622.6636 0.0000 0.0000 33954.9335 -149259.3214 296.5369 -183214.2550 -149169.8065 299.1205 -19.0194 14.6724 558395.8633 -0.3822 -0.4463 PRESSURE: 1926400 311.009 103.318 41.6531 103.317 75.2155 53.6449 41.6528 53.6445 -160.378 GPRESSURE: 1926400 266.316 226.75 29.6848 20.997 133.073 10.6187 -23.546 104.631 -77.8201 PRESSAVG: 1926400 109.247 9.05854 -52.6322 9.05857 -25.2612 72.0539 -52.6322 72.0539 -83.0311 GPRESSAVG: 1926400 108.542 6.99163 -52.1996 8.90813 -25.2256 67.7763 -53.932 74.9392 -82.7975 TIMING: 1926400 CPU: 5585.26, 0.00286372/step Wall: 5585.26, 0.00286372/step, 2.44498 hours remaining, 210.062500 MB of memory in use. ENERGY: 1926400 767.1080 2059.7561 1965.1875 108.1544 -206508.0739 17972.9547 0.0000 0.0000 34357.2175 -149277.6958 300.0501 -183634.9133 -149180.7564 298.8664 75.2822 107.1897 556263.2615 0.3183 0.1728 PRESSURE: 1926600 -35.6997 -143.198 32.0413 -143.197 -55.1624 -27.3564 32.0399 -27.3555 61.2661 GPRESSURE: 1926600 61.9896 -166.496 66.3448 -155.979 -47.7501 1.96667 -42.0679 -18.689 47.0747 PRESSAVG: 1926600 0.982722 8.87601 -12.395 8.87605 0.188635 22.4786 -12.395 22.4785 17.4909 GPRESSAVG: 1926600 1.75441 12.9486 -9.69222 7.57743 -1.24768 25.7701 -12.6153 22.1088 17.8127 TIMING: 1926600 CPU: 5585.83, 0.00286638/step Wall: 5585.83, 0.00286638/step, 2.44709 hours remaining, 210.062500 MB of memory in use. ENERGY: 1926600 754.2903 2066.9973 1978.7911 120.3189 -206348.6591 17965.9539 0.0000 0.0000 34258.7582 -149203.5493 299.1903 -183462.3075 -149104.0219 299.0157 -9.8654 20.4381 558927.9784 6.2208 6.1065 PRESSURE: 1926800 4.59658 -87.2841 66.4005 -87.2834 -140.244 213.751 66.4008 213.752 -86.0143 GPRESSURE: 1926800 -10.026 -104.62 29.0177 -38.5416 -111.388 154.636 34.5989 206.932 -4.46174 PRESSAVG: 1926800 -12.7355 42.4537 -26.005 42.4537 -26.5137 14.0498 -26.005 14.0499 17.0407 GPRESSAVG: 1926800 -13.4176 38.563 -26.1403 43.5556 -25.535 13.409 -25.8249 14.5337 16.616 TIMING: 1926800 CPU: 5586.4, 0.00286159/step Wall: 5586.4, 0.00286159/step, 2.44285 hours remaining, 210.062500 MB of memory in use. ENERGY: 1926800 774.2495 2094.0130 1968.8579 106.0144 -206461.4488 17927.8294 0.0000 0.0000 34331.4567 -149259.0281 299.8252 -183590.4848 -149151.1654 299.1682 -73.8873 -41.9585 557275.9244 -7.4028 -7.4455 PRESSURE: 1927000 100.658 43.8154 114.936 43.8152 -125.155 56.1091 114.937 56.1095 -243.998 GPRESSURE: 1927000 128.231 72.1942 89.1673 -33.9957 -109.185 57.6492 66.093 4.50005 -203.036 PRESSAVG: 1927000 46.5284 2.7092 -5.01787 2.7091 -40.7623 53.8359 -5.01802 53.8358 -13.1698 GPRESSAVG: 1927000 46.4519 0.656944 -7.59972 4.13831 -42.0655 53.0209 -4.84067 52.4828 -12.2913 TIMING: 1927000 CPU: 5586.98, 0.0028735/step Wall: 5586.98, 0.0028735/step, 2.45285 hours remaining, 210.062500 MB of memory in use. ENERGY: 1927000 771.9116 2144.0873 1981.3194 110.3815 -206404.0220 17885.6121 0.0000 0.0000 34332.9054 -149177.8046 299.8378 -183510.7100 -149088.3606 299.6479 -89.4983 -61.3300 557315.5669 -2.4679 -2.6350 PRESSURE: 1927200 158.962 120.229 -133.613 120.23 249.737 166.114 -133.614 166.115 29.1553 GPRESSURE: 1927200 186.296 154.958 -51.0645 174.33 293.467 197.694 -207.997 157.84 54.8689 PRESSAVG: 1927200 42.803 -30.6425 -31.2773 -30.6425 78.5728 40.8528 -31.2774 40.8529 -89.2817 GPRESSAVG: 1927200 43.5243 -26.2441 -29.1394 -32.7259 77.5868 40.6559 -31.8823 41.5909 -90.0737 TIMING: 1927200 CPU: 5587.55, 0.00288167/step Wall: 5587.55, 0.00288167/step, 2.45966 hours remaining, 210.062500 MB of memory in use. ENERGY: 1927200 738.8735 2089.7781 1980.0020 116.2162 -206401.1322 17997.4325 0.0000 0.0000 34331.4107 -149147.4191 299.8247 -183478.8298 -149057.9332 299.9771 145.9515 178.2106 556923.1409 10.6980 10.3458 PRESSURE: 1927400 106.967 154.13 38.6367 154.131 58.0204 200.913 38.6354 200.91 75.1065 GPRESSURE: 1927400 115.991 208.976 -106.089 140.764 127.38 171.56 18.269 225.27 95.7881 PRESSAVG: 1927400 -1.91024 24.3703 -36.2687 24.3703 44.9437 19.8185 -36.2688 19.8185 -53.619 GPRESSAVG: 1927400 -2.33987 23.3234 -36.8309 24.6642 45.3441 21.1525 -35.953 20.8653 -53.6919 TIMING: 1927400 CPU: 5588.13, 0.00289462/step Wall: 5588.13, 0.00289462/step, 2.47056 hours remaining, 210.062500 MB of memory in use. ENERGY: 1927400 733.7717 2126.7009 1992.3745 115.2069 -206086.7690 17731.0143 0.0000 0.0000 34279.1861 -149108.5147 299.3687 -183387.7008 -149014.0985 299.5834 80.0314 113.0529 556754.8058 -3.5285 -3.5626 PRESSURE: 1927600 -152.874 -150.455 -108.855 -150.456 170.159 33.4313 -108.856 33.4322 -46.5697 GPRESSURE: 1927600 -80.4347 -184.442 -97.7672 -116.356 159.439 43.4849 -142.406 92.2159 1.37109 PRESSAVG: 1927600 -35.4729 0.492579 -32.7013 0.492709 30.9594 15.3893 -32.7013 15.3891 -32.0187 GPRESSAVG: 1927600 -35.8333 0.0463319 -32.289 0.150481 31.9688 15.8423 -33.4609 14.7344 -32.5782 TIMING: 1927600 CPU: 5588.71, 0.00289214/step Wall: 5588.71, 0.00289214/step, 2.46828 hours remaining, 210.062500 MB of memory in use. ENERGY: 1927600 729.6785 2084.6730 2007.0114 113.4882 -206259.2123 17805.5750 0.0000 0.0000 34199.8452 -149318.9410 298.6758 -183518.7862 -149218.7157 299.4313 -9.7614 26.7918 557053.5390 -12.1774 -12.1475 PRESSURE: 1927800 -33.0225 37.9153 -118.038 37.9165 5.08911 -41.4032 -118.037 -41.4036 -217.736 GPRESSURE: 1927800 -10.3947 -48.0431 -213.259 17.6971 0.148626 24.4171 -50.0624 -58.5435 -141.159 PRESSAVG: 1927800 -27.4166 -37.6599 14.9282 -37.6599 39.5272 12.241 14.9282 12.241 10.4096 GPRESSAVG: 1927800 -27.3466 -36.9314 13.4344 -39.1306 40.2547 9.6527 15.1946 14.007 9.38525 TIMING: 1927800 CPU: 5589.29, 0.00288679/step Wall: 5589.29, 0.00288679/step, 2.46355 hours remaining, 210.062500 MB of memory in use. ENERGY: 1927800 768.4260 2127.5346 1957.8238 105.7100 -206310.3379 17771.8096 0.0000 0.0000 34410.4702 -149168.5636 300.5152 -183579.0339 -149074.5194 299.1583 -81.8899 -50.4682 557068.4514 7.5067 7.4311 PRESSURE: 1928000 -178.921 -20.651 21.959 -20.6511 60.3288 -6.1144 21.9588 -6.11406 54.9949 GPRESSURE: 1928000 -141.826 -49.0571 57.8197 -3.77531 70.482 58.1274 -28.4104 -6.21372 110.063 PRESSAVG: 1928000 -21.1045 29.137 7.72032 29.137 10.2811 -5.56739 7.72029 -5.56754 16.5698 GPRESSAVG: 1928000 -20.8905 28.8747 8.10275 31.619 9.31386 -2.99349 5.84465 -6.28947 17.3761 TIMING: 1928000 CPU: 5589.86, 0.00286429/step Wall: 5589.86, 0.00286429/step, 2.4442 hours remaining, 210.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1928000 792.2714 2166.3132 1958.9764 110.4163 -205992.7064 17770.0269 0.0000 0.0000 34278.4186 -148916.2837 299.3620 -183194.7023 -148825.3941 299.5472 -21.1990 12.9061 555866.0321 1.9155 1.9332 PRESSURE: 1928200 81.1702 -1.26973 90.1786 -1.26905 244.792 106.365 90.1786 106.366 -315.012 GPRESSURE: 1928200 103.707 -90.7015 12.0085 110.991 250.447 -29.688 61.1528 185.16 -243.918 PRESSAVG: 1928200 -14.7208 -18.3301 -51.0806 -18.3301 17.7145 -4.31365 -51.0806 -4.31371 13.1365 GPRESSAVG: 1928200 -16.6889 -18.1228 -50.783 -20.6275 18.0745 -5.87726 -50.1275 -4.87652 14.1307 TIMING: 1928200 CPU: 5590.44, 0.00290012/step Wall: 5590.44, 0.00290012/step, 2.47461 hours remaining, 210.062500 MB of memory in use. ENERGY: 1928200 751.3536 2101.3942 1947.7174 106.2289 -206026.3727 17763.4226 0.0000 0.0000 34380.8234 -148975.4325 300.2563 -183356.2559 -148890.4303 299.9542 3.6503 36.7454 557020.6615 5.3767 5.1721 LDB: ============= START OF LOAD BALANCING ============== 5593.83 LDB: ============== END OF LOAD BALANCING =============== 5593.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5593.83 LDB: ============= START OF LOAD BALANCING ============== 5594.12 LDB: Largest compute 4820 load 0.026932 is 22.8% of average load 0.117980 LDB: Average compute 0.001731 is 1.5% of average load 0.117980 LDB: TIME 5594.12 LOAD: AVG 0.11798 MAX 0.183009 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.484 MB LDB: TIME 5594.12 LOAD: AVG 0.11798 MAX 0.183009 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.492 MB LDB: TIME 5594.12 LOAD: AVG 0.11798 MAX 0.183009 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.492 MB LDB: ============== END OF LOAD BALANCING =============== 5594.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5594.12 PRESSURE: 1928400 -275.339 92.7833 53.2388 92.7841 117.115 45.8817 53.2399 45.8826 214.72 GPRESSURE: 1928400 -175.693 87.3469 5.51504 67.3434 223.001 -27.1549 37.836 95.0189 117.123 PRESSAVG: 1928400 -12.9066 -60.4443 -7.19415 -60.4443 -17.2558 -13.8968 -7.19422 -13.8967 10.6823 GPRESSAVG: 1928400 -11.8169 -58.5207 -8.01488 -63.2151 -17.7678 -12.8779 -5.92615 -14.61 10.4318 TIMING: 1928400 CPU: 5591.03, 0.00294908/step Wall: 5591.03, 0.00294908/step, 2.51622 hours remaining, 207.996094 MB of memory in use. ENERGY: 1928400 746.0588 2111.1162 1958.7352 111.1420 -205726.7490 17752.0950 0.0000 0.0000 34188.5433 -148859.0585 298.5771 -183047.6018 -148767.8828 300.0439 18.8320 54.8104 558368.2721 -6.4934 -6.3843 PRESSURE: 1928600 -291.58 -53.4976 22.0137 -53.4985 21.7517 -174.805 22.0135 -174.805 28.7107 GPRESSURE: 1928600 -250.34 23.3632 193.32 -30.9218 60.9238 -175.811 52.815 -116.642 49.348 PRESSAVG: 1928600 -78.2351 -3.77087 35.2958 -3.77082 34.3072 -29.1706 35.2958 -29.1707 -7.41141 GPRESSAVG: 1928600 -77.8909 -4.25718 37.6318 -0.253583 34.5204 -29.4242 33.7076 -27.8192 -7.47993 TIMING: 1928600 CPU: 5591.61, 0.00289878/step Wall: 5591.61, 0.00289878/step, 2.47314 hours remaining, 207.996094 MB of memory in use. ENERGY: 1928600 730.3131 2055.1850 1949.7469 121.3009 -205750.5568 17538.7141 0.0000 0.0000 34444.0699 -148911.2268 300.8086 -183355.2967 -148821.3465 300.1585 -80.3724 -46.6895 558163.1654 -17.1131 -16.9501 PRESSURE: 1928800 -35.1519 -64.8859 52.7616 -64.8856 -281.368 -17.7173 52.7612 -17.7179 116.172 GPRESSURE: 1928800 43.0836 -72.479 11.5928 3.27145 -251.481 -22.4397 11.2802 -28.2675 112.4 PRESSAVG: 1928800 5.03504 39.5718 -29.1995 39.5718 -22.2885 -80.2514 -29.1996 -80.2515 -6.77554 GPRESSAVG: 1928800 4.48884 36.8118 -32.0099 42.5185 -21.4886 -79.2128 -27.0894 -82.0639 -7.23261 TIMING: 1928800 CPU: 5592.19, 0.002882/step Wall: 5592.19, 0.002882/step, 2.45867 hours remaining, 207.996094 MB of memory in use. ENERGY: 1928800 752.5844 2053.0786 1969.7921 116.6359 -205778.3750 17770.5575 0.0000 0.0000 34121.9465 -148993.7800 297.9954 -183115.7265 -148893.3860 300.4296 -66.7827 -31.9990 559280.7678 -8.0097 -8.0775 PRESSURE: 1929000 165.936 181.281 -124.241 181.281 -129.969 -257.058 -124.242 -257.058 -40.9868 GPRESSURE: 1929000 211.243 196.765 -58.3885 224.51 -80.8067 -262.196 -151.422 -209.773 -44.6367 PRESSAVG: 1929000 23.2611 27.7832 -18.3097 27.7832 -13.1196 -62.3439 -18.3096 -62.3439 -26.3483 GPRESSAVG: 1929000 24.6737 28.7747 -14.9546 26.5904 -15.0656 -62.1543 -18.644 -59.0146 -25.8321 TIMING: 1929000 CPU: 5592.76, 0.00289555/step Wall: 5592.76, 0.00289555/step, 2.47007 hours remaining, 207.996094 MB of memory in use. ENERGY: 1929000 741.5391 2120.6513 1972.4953 110.9665 -206198.5299 17792.3116 0.0000 0.0000 34361.5173 -149099.0488 300.0877 -183460.5662 -149000.4147 299.7076 -1.6731 28.5999 558377.7635 -5.4023 -5.4080 PRESSURE: 1929200 -215.919 170.715 83.2875 170.716 -85.9412 -13.7253 83.2879 -13.7244 -50.703 GPRESSURE: 1929200 -218.229 55.6291 3.92427 212.81 -73.08 -100.814 88.0328 -11.3774 40.1881 PRESSAVG: 1929200 -23.1145 24.47 60.3924 24.4699 26.5355 -50.0237 60.3924 -50.0238 46.8992 GPRESSAVG: 1929200 -23.8499 24.6682 58.8269 23.1114 27.4819 -50.889 60.9398 -50.9905 45.9058 TIMING: 1929200 CPU: 5593.34, 0.00289858/step Wall: 5593.34, 0.00289858/step, 2.47248 hours remaining, 207.996094 MB of memory in use. ENERGY: 1929200 809.9432 2076.0907 1980.6823 101.5729 -205703.8751 17580.7000 0.0000 0.0000 33946.9058 -149207.9802 296.4668 -183154.8860 -149112.8995 299.8075 -117.5209 -83.7068 557350.0688 16.7734 16.5126 PRESSURE: 1929400 -121.524 -33.9499 -174.584 -33.9487 42.0856 193.421 -174.583 193.419 -134.939 GPRESSURE: 1929400 -108.861 -56.3691 -144.005 19.9033 86.1405 180.468 -149.993 153.178 -90.1098 PRESSAVG: 1929400 -34.4835 -14.5495 -9.22444 -14.5494 -8.98228 24.0905 -9.22452 24.0904 54.1334 GPRESSAVG: 1929400 -34.9826 -14.0071 -9.70103 -12.6827 -8.72489 23.6309 -9.70532 22.9805 54.2555 TIMING: 1929400 CPU: 5593.92, 0.0028978/step Wall: 5593.92, 0.0028978/step, 2.47166 hours remaining, 207.996094 MB of memory in use. ENERGY: 1929400 719.7940 2072.1661 1975.6060 108.0560 -205964.0912 17788.5136 0.0000 0.0000 34233.5528 -149066.4026 298.9701 -183299.9554 -148970.2490 298.8061 -71.4591 -37.6099 559097.7948 3.5559 3.5160 PRESSURE: 1929600 -29.0506 -78.9294 124.38 -78.9304 -172.813 -70.1722 124.379 -70.1725 10.2626 GPRESSURE: 1929600 -15.5976 -52.5496 143.289 -65.2373 -125.583 -14.5418 89.2858 -92.3389 41.6418 PRESSAVG: 1929600 -16.3208 -27.943 23.185 -27.943 6.03182 -18.2249 23.1851 -18.225 4.03364 GPRESSAVG: 1929600 -16.8118 -27.8454 22.7469 -29.8184 6.05644 -18.0914 22.1583 -18.6574 4.40958 TIMING: 1929600 CPU: 5594.5, 0.0028899/step Wall: 5594.5, 0.0028899/step, 2.46476 hours remaining, 207.996094 MB of memory in use. ENERGY: 1929600 782.3990 2093.4587 1981.1160 119.3430 -205960.3155 17578.2948 0.0000 0.0000 34494.7942 -148910.9097 301.2516 -183405.7039 -148822.7130 299.5783 -63.8671 -33.1797 557359.7262 -2.0851 -2.1153 PRESSURE: 1929800 30.4452 -62.7055 22.9891 -62.7048 -204.183 -179.835 22.9902 -179.837 -144.574 GPRESSURE: 1929800 44.0176 -28.3251 85.25 -102.668 -139.786 -152.706 4.68556 -234.522 -117.966 PRESSAVG: 1929800 33.6281 -3.1639 21.42 -3.16387 -44.8078 21.6737 21.42 21.6736 46.0088 GPRESSAVG: 1929800 33.5267 -2.76011 23.0616 -2.80638 -45.2405 24.0565 21.2539 21.2488 47.1256 TIMING: 1929800 CPU: 5595.08, 0.00288109/step Wall: 5595.08, 0.00288109/step, 2.45709 hours remaining, 207.996094 MB of memory in use. ENERGY: 1929800 768.1786 2069.8020 1959.8390 113.3744 -205638.0509 17414.5274 0.0000 0.0000 34412.0017 -148900.3276 300.5286 -183312.3294 -148797.9329 299.9962 -106.1039 -71.2447 557297.8792 11.6097 11.8039 PRESSURE: 1930000 25.9808 -0.47527 72.3794 -0.475578 8.7212 127.163 72.3796 127.162 112.625 GPRESSURE: 1930000 38.7124 28.1352 25.4236 35.575 96.7814 153.232 122.049 58.7364 85.3656 PRESSAVG: 1930000 52.7033 38.5794 -6.4274 38.5795 12.2978 -69.9981 -6.42742 -69.9982 -49.1992 GPRESSAVG: 1930000 53.4969 36.7311 -6.48619 37.9669 12.1751 -73.5012 -7.49009 -70.9217 -49.92 TIMING: 1930000 CPU: 5595.66, 0.00288807/step Wall: 5595.66, 0.00288807/step, 2.46288 hours remaining, 207.996094 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: 1930000 764.6766 2153.8123 1969.4490 126.4766 -206280.2897 17894.1581 0.0000 0.0000 34269.8047 -149101.9124 299.2867 -183371.7171 -149007.7233 299.8062 49.1091 73.6198 556376.7081 5.2673 5.2506 PRESSURE: 1930200 -117.583 230.373 18.2276 230.373 -168.349 30.6952 18.2284 30.6956 -112.062 GPRESSURE: 1930200 -38.0761 321.329 21.0445 201.832 -167.239 20.5303 -36.2133 19.6655 -100.391 PRESSAVG: 1930200 -2.77972 22.1503 -67.459 22.1504 -42.6924 15.2811 -67.4591 15.2809 37.3415 GPRESSAVG: 1930200 -3.50022 22.7817 -67.2609 22.2233 -42.6156 15.484 -67.1348 17.3907 37.8445 TIMING: 1930200 CPU: 5596.23, 0.00285522/step Wall: 5596.23, 0.00285522/step, 2.43471 hours remaining, 207.996094 MB of memory in use. ENERGY: 1930200 771.4204 2094.8277 1963.9758 119.5149 -205899.8604 17551.2815 0.0000 0.0000 34163.7286 -149235.1116 298.3603 -183398.8402 -149134.5784 299.1366 -132.6645 -101.9021 556582.2753 -2.7102 -2.7571 PRESSURE: 1930400 83.3231 -79.074 -8.98594 -79.0747 -79.0744 -118.148 -8.98556 -118.149 10.2412 GPRESSURE: 1930400 56.3228 -149.399 -89.8542 -68.6835 -26.1638 -136.948 -18.8094 -46.9559 86.262 PRESSAVG: 1930400 11.5095 -10.9912 -11.2772 -10.9912 52.9576 23.0136 -11.2771 23.0136 -34.538 GPRESSAVG: 1930400 10.5959 -10.3931 -12.3017 -9.9763 53.4916 22.8011 -10.3064 23.16 -34.082 TIMING: 1930400 CPU: 5596.8, 0.00284903/step Wall: 5596.8, 0.00284903/step, 2.42928 hours remaining, 207.996094 MB of memory in use. ENERGY: 1930400 761.4636 2071.4946 1962.2704 125.7255 -206077.7937 17747.4371 0.0000 0.0000 34311.6442 -149097.7582 299.6521 -183409.4024 -148997.4947 299.2705 4.8300 38.8070 556146.9112 9.9764 10.0018 PRESSURE: 1930600 -56.4189 10.2716 -12.2797 10.2717 32.1827 48.4861 -12.2783 48.4853 136.68 GPRESSURE: 1930600 6.58881 15.4922 1.51814 46.3178 32.6113 33.8244 19.1736 56.4785 171.253 PRESSAVG: 1930600 3.80308 52.6325 -10.6062 52.6325 -24.8071 -37.3216 -10.6061 -37.3215 9.85984 GPRESSAVG: 1930600 5.4422 50.6371 -12.2226 51.5045 -25.9109 -35.498 -8.79468 -38.338 8.80256 TIMING: 1930600 CPU: 5597.37, 0.00287625/step Wall: 5597.37, 0.00287625/step, 2.45232 hours remaining, 207.996094 MB of memory in use. ENERGY: 1930600 716.8804 2040.0350 1981.4882 108.7953 -205997.0669 17651.4610 0.0000 0.0000 34336.9953 -149161.4117 299.8735 -183498.4070 -149069.3117 299.5890 37.4815 70.1512 555975.7410 -3.7147 -3.8887 PRESSURE: 1930800 -24.4846 159.412 -56.4297 159.411 159.632 -36.0565 -56.4304 -36.0569 -28.5941 GPRESSURE: 1930800 18.1759 122.394 -60.8382 187.649 142.394 -105.907 -18.5953 -116.64 43.8191 PRESSAVG: 1930800 -58.4751 53.7999 -28.4846 53.7999 21.6233 26.7392 -28.4847 26.7392 74.8533 GPRESSAVG: 1930800 -58.6428 55.7767 -26.1317 53.8483 21.8166 26.1406 -30.4067 25.8537 75.0255 TIMING: 1930800 CPU: 5597.95, 0.00288911/step Wall: 5597.95, 0.00288911/step, 2.46313 hours remaining, 208.199219 MB of memory in use. ENERGY: 1930800 771.2472 2068.2786 1961.0162 111.4909 -206303.6286 17828.9215 0.0000 0.0000 34531.7935 -149030.8808 301.5747 -183562.6742 -148943.1241 300.1199 35.5177 68.1298 555687.4912 12.6672 12.7331 PRESSURE: 1931000 -108.716 -169.021 -18.612 -169.021 134.732 6.08517 -18.6118 6.08523 -77.3429 GPRESSURE: 1931000 -80.7844 -219.65 -127.766 -130.158 198.607 92.7808 52.082 25.5683 -82.4319 PRESSAVG: 1931000 1.34113 -1.1704 -34.0345 -1.17035 47.1286 23.7876 -34.0344 23.7875 -40.7621 GPRESSAVG: 1931000 -0.0516703 -1.14202 -36.3027 0.536781 47.1932 23.4291 -33.517 23.0432 -40.0613 TIMING: 1931000 CPU: 5598.53, 0.00290198/step Wall: 5598.53, 0.00290198/step, 2.47394 hours remaining, 208.199219 MB of memory in use. ENERGY: 1931000 739.3691 2022.2798 1974.6918 117.9404 -206030.0852 17738.1665 0.0000 0.0000 34253.7888 -149183.8488 299.1469 -183437.6376 -149083.6333 299.5240 -17.1091 11.7971 558123.4543 2.5692 2.3601 PRESSURE: 1931200 53.2203 -203.689 -13.4625 -203.687 -177.571 66.5272 -13.464 66.5265 -1.94754 GPRESSURE: 1931200 94.3266 -176.81 -106.79 -280.879 -130.117 119.75 34.8525 126.902 6.65511 PRESSAVG: 1931200 -17.457 0.955857 -28.5708 0.955776 46.8816 -23.1105 -28.5709 -23.1106 -49.4754 GPRESSAVG: 1931200 -16.265 1.85956 -27.3902 -1.32168 47.3183 -20.8612 -29.1534 -22.568 -51.0147 TIMING: 1931200 CPU: 5599.11, 0.00290392/step Wall: 5599.11, 0.00290392/step, 2.47543 hours remaining, 208.199219 MB of memory in use. ENERGY: 1931200 754.2273 2043.0149 1963.1804 114.6691 -206516.1545 17960.0787 0.0000 0.0000 34202.6481 -149478.3358 298.7002 -183680.9839 -149381.4222 299.8190 -42.0995 -9.7119 556986.1378 -6.6836 -6.6538 PRESSURE: 1931400 -68.3655 -51.6233 -48.7958 -51.6237 123.857 59.1512 -48.7956 59.1518 12.927 GPRESSURE: 1931400 -108.705 -56.9855 -58.0501 -111.675 183.237 49.1979 -24.2739 39.2642 94.0975 PRESSAVG: 1931400 24.3924 -10.5468 -83.904 -10.5467 24.5973 -21.264 -83.904 -21.2641 -12.5455 GPRESSAVG: 1931400 25.9796 -10.9976 -82.2617 -8.58721 23.0825 -25.1686 -86.3242 -19.9832 -12.2521 TIMING: 1931400 CPU: 5599.69, 0.00288719/step Wall: 5599.69, 0.00288719/step, 2.46101 hours remaining, 208.199219 MB of memory in use. ENERGY: 1931400 755.5344 2067.1902 1973.6505 113.6774 -206560.1300 17933.8576 0.0000 0.0000 34161.5372 -149554.6828 298.3412 -183716.2200 -149456.2433 298.7478 22.8063 56.2100 556558.3957 12.1481 12.2700 PRESSURE: 1931600 -332.956 8.37869 -78.1714 8.3787 8.95783 43.1999 -78.1714 43.1978 -241.61 GPRESSURE: 1931600 -320.083 -125.008 -109.32 106.243 37.4931 73.014 -67.9196 -30.726 -206.707 PRESSAVG: 1931600 -45.1039 -37.5589 15.6441 -37.5589 40.5931 -16.8098 15.6442 -16.8098 25.0582 GPRESSAVG: 1931600 -46.7136 -35.6339 13.6108 -38.4531 40.83 -14.2323 18.7024 -17.5636 26.3484 TIMING: 1931600 CPU: 5600.26, 0.00287681/step Wall: 5600.26, 0.00287681/step, 2.452 hours remaining, 208.199219 MB of memory in use. ENERGY: 1931600 758.3722 2101.3456 1973.3111 111.9643 -206111.5984 17554.0933 0.0000 0.0000 34203.2396 -149409.2724 298.7054 -183612.5119 -149311.3232 298.4481 -188.5361 -163.0990 558319.5613 6.8491 6.8216 PRESSURE: 1931800 -83.2596 -108.792 -41.252 -108.793 -62.4014 43.3592 -41.2527 43.3593 -97.3212 GPRESSURE: 1931800 -130.685 39.5756 -27.5819 -160.604 1.65295 -20.5942 -11.1974 55.5542 -27.68 PRESSAVG: 1931800 -2.66375 -83.56 12.7432 -83.56 4.84056 -16.2801 12.7431 -16.28 25.5824 GPRESSAVG: 1931800 -2.74587 -83.689 14.6622 -83.2508 5.20167 -17.9411 10.3901 -17.015 25.878 TIMING: 1931800 CPU: 5600.84, 0.00289165/step Wall: 5600.84, 0.00289165/step, 2.46449 hours remaining, 208.199219 MB of memory in use. ENERGY: 1931800 730.9569 2111.8334 1963.4839 109.1624 -206102.7482 17653.3218 0.0000 0.0000 34082.1279 -149451.8619 297.6477 -183533.9898 -149350.1925 298.7680 -80.9941 -52.2374 557996.8185 9.2531 9.4446 PRESSURE: 1932000 -34.7003 -128.504 -63.3268 -128.503 141.54 -250.099 -63.3268 -250.097 221.092 GPRESSURE: 1932000 -10.775 -165.016 -44.3457 -72.1916 232.25 -156.671 -106.077 -316.275 198.124 PRESSAVG: 1932000 -112.142 61.3245 19.9612 61.3246 54.3393 -5.56327 19.9612 -5.56327 16.6634 GPRESSAVG: 1932000 -113.061 58.754 21.4621 63.1243 55.4828 -4.00823 19.9781 -5.59195 16.2677 TIMING: 1932000 CPU: 5601.42, 0.00288692/step Wall: 5601.42, 0.00288692/step, 2.4603 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1932000 725.6569 2154.1322 1948.2960 112.0330 -206750.9254 17942.9383 0.0000 0.0000 34433.7593 -149434.1096 300.7186 -183867.8689 -149340.2511 298.8260 109.3104 139.8663 556969.0317 -13.7130 -13.7702 PRESSURE: 1932200 -16.7001 -198.731 -41.3029 -198.729 -95.1638 -52.5488 -41.3028 -52.5481 -61.5848 GPRESSURE: 1932200 33.8807 -184.836 46.2756 -186.837 -12.3496 -11.535 -145.384 -48.509 -88.5711 PRESSAVG: 1932200 -43.9677 24.3919 -35.0959 24.3919 95.0732 -32.9872 -35.0958 -32.9873 -16.4625 GPRESSAVG: 1932200 -43.3978 23.7764 -37.2441 23.2064 94.3436 -33.8847 -35.7843 -31.9744 -16.5544 TIMING: 1932200 CPU: 5602, 0.00288484/step Wall: 5602, 0.00288484/step, 2.45837 hours remaining, 208.199219 MB of memory in use. ENERGY: 1932200 736.7883 2114.4603 1935.6270 111.5580 -206082.0243 17815.6295 0.0000 0.0000 33962.3045 -149405.6568 296.6013 -183367.9613 -149308.9992 299.5338 -57.8162 -22.3467 558531.7807 11.5477 11.4638 LDB: ============= START OF LOAD BALANCING ============== 5605.38 LDB: ============== END OF LOAD BALANCING =============== 5605.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5605.38 LDB: ============= START OF LOAD BALANCING ============== 5605.67 LDB: Largest compute 4820 load 0.026492 is 22.5% of average load 0.117985 LDB: Average compute 0.001731 is 1.5% of average load 0.117985 LDB: TIME 5605.67 LOAD: AVG 0.117985 MAX 0.180426 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.227 MB LDB: TIME 5605.67 LOAD: AVG 0.117985 MAX 0.180426 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.238 MB LDB: TIME 5605.67 LOAD: AVG 0.117985 MAX 0.180426 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5605.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5605.68 PRESSURE: 1932400 78.464 -106.353 136.312 -106.352 130.762 -59.9051 136.311 -59.9026 -5.06654 GPRESSURE: 1932400 106.194 -143.054 118.143 -119.436 182.498 -110.282 149.941 -67.3711 -5.60279 PRESSAVG: 1932400 44.4045 13.329 10.8616 13.3291 26.1913 -55.8321 10.8615 -55.8322 -82.9333 GPRESSAVG: 1932400 45.2954 13.8824 12.5761 13.1043 25.0679 -55.1879 9.46029 -55.5812 -82.9063 TIMING: 1932400 CPU: 5602.58, 0.00293963/step Wall: 5602.58, 0.00293963/step, 2.50489 hours remaining, 208.867188 MB of memory in use. ENERGY: 1932400 769.0857 2133.6688 1964.4663 122.8872 -206436.3770 18023.6763 0.0000 0.0000 34143.4126 -149279.1800 298.1829 -183422.5926 -149191.5288 298.9027 68.0531 94.3633 556403.2180 -4.1125 -4.1810 PRESSURE: 1932600 -57.362 236.766 64.5261 236.769 149.869 -187.707 64.527 -187.707 -211.834 GPRESSURE: 1932600 9.87886 243.087 124.713 223.932 142.409 -204.167 67.3629 -205.468 -179.309 PRESSAVG: 1932600 -69.6216 9.57652 61.3328 9.57658 -23.3273 -31.6181 61.3328 -31.6181 58.1141 GPRESSAVG: 1932600 -69.9855 10.7693 60.3335 8.62731 -22.3615 -33.5254 62.6321 -30.3709 57.3078 TIMING: 1932600 CPU: 5603.16, 0.00287126/step Wall: 5603.16, 0.00287126/step, 2.44648 hours remaining, 209.070312 MB of memory in use. ENERGY: 1932600 747.7581 2095.2917 1943.3419 106.9628 -206221.3389 17906.3953 0.0000 0.0000 34028.8341 -149392.7551 297.1823 -183421.5892 -149295.9494 299.0491 -39.7757 -9.0069 556604.8701 -11.6116 -11.6797 PRESSURE: 1932800 4.36958 -127.991 5.31345 -127.991 -144.328 192.543 5.31477 192.542 -80.651 GPRESSURE: 1932800 10.8984 -84.4841 -1.43937 -169.347 -52.8535 166.991 -62.3897 217.472 -65.2936 PRESSAVG: 1932800 -31.5186 28.9448 18.0582 28.9449 -11.5711 -25.4513 18.0583 -25.4513 72.5865 GPRESSAVG: 1932800 -32.4272 30.0138 15.8187 28.8368 -11.0065 -24.8265 20.4291 -25.5395 72.9575 TIMING: 1932800 CPU: 5603.74, 0.0028863/step Wall: 5603.74, 0.0028863/step, 2.45913 hours remaining, 209.070312 MB of memory in use. ENERGY: 1932800 755.4328 2082.6310 1953.8287 108.3751 -205919.5639 17596.5491 0.0000 0.0000 34056.5212 -149366.2259 297.4241 -183422.7471 -149270.8159 299.1049 -73.5365 -35.7496 559005.8545 9.8322 9.8413 PRESSURE: 1933000 203.116 -153.239 56.2541 -153.237 94.2615 17.9751 56.2523 17.9741 -321.503 GPRESSURE: 1933000 217.281 -135.13 61.1061 -127.462 139.947 93.1849 46.6423 -65.2605 -287.45 PRESSAVG: 1933000 12.6417 -41.1606 -21.8259 -41.1605 -33.1669 -3.06003 -21.8259 -3.06008 -1.52939 GPRESSAVG: 1933000 12.1771 -43.2495 -17.551 -39.8876 -33.3388 -2.22227 -25.4119 -4.34714 -1.1496 TIMING: 1933000 CPU: 5604.32, 0.00292433/step Wall: 5604.32, 0.00292433/step, 2.49136 hours remaining, 209.070312 MB of memory in use. ENERGY: 1933000 767.2722 2081.6288 1973.0358 126.3285 -206201.2610 17805.0216 0.0000 0.0000 34106.7182 -149341.2559 297.8625 -183447.9741 -149242.9767 298.8373 -8.0418 23.2592 557885.9572 -7.3516 -7.4371 PRESSURE: 1933200 -148.67 95.4055 100.351 95.4059 -127.543 -192.527 100.351 -192.526 141.995 GPRESSURE: 1933200 -93.2586 108.43 158.804 116.955 -91.3995 -240.425 45.3506 -78.1793 143.081 PRESSAVG: 1933200 -2.5273 6.17669 -39.7653 6.17667 -24.1757 -67.8457 -39.7653 -67.8456 40.7978 GPRESSAVG: 1933200 -2.28419 5.8315 -42.2436 6.29625 -23.9737 -68.0274 -37.422 -67.5005 40.0635 TIMING: 1933200 CPU: 5604.9, 0.0028953/step Wall: 5604.9, 0.0028953/step, 2.46647 hours remaining, 209.070312 MB of memory in use. ENERGY: 1933200 746.3146 2087.2426 1971.4816 111.9196 -206487.8897 17782.6779 0.0000 0.0000 34365.7083 -149422.5452 300.1243 -183788.2535 -149324.7312 299.2958 -44.7394 -13.8592 557931.9087 4.6983 4.6018 PRESSURE: 1933400 27.9651 -236.634 -44.9082 -236.633 46.6721 186.465 -44.9079 186.464 -95.7114 GPRESSURE: 1933400 67.3764 -159.153 -124.888 -199.206 48.2379 219.154 -9.0107 139.257 -25.8914 PRESSAVG: 1933400 -9.82621 -17.5993 -4.45182 -17.5994 -13.9478 25.338 -4.45171 25.338 5.57937 GPRESSAVG: 1933400 -9.24753 -17.6232 -4.01221 -17.438 -15.0943 27.0503 -3.2547 23.4268 6.19619 TIMING: 1933400 CPU: 5605.48, 0.00290813/step Wall: 5605.48, 0.00290813/step, 2.47725 hours remaining, 209.070312 MB of memory in use. ENERGY: 1933400 747.7645 2065.1502 1931.7038 104.4020 -206224.9767 17802.5868 0.0000 0.0000 34167.7410 -149405.6284 298.3954 -183573.3694 -149313.7681 299.6190 -7.0247 29.9076 557927.0643 -6.0649 -6.0486 PRESSURE: 1933600 123.95 61.3637 -36.9061 61.364 -65.2151 -68.4753 -36.9051 -68.4751 125.364 GPRESSURE: 1933600 137.529 36.3609 -41.4887 136.272 -41.0128 -40.4097 20.2893 -142.469 194.713 PRESSAVG: 1933600 20.5961 -37.141 -17.6984 -37.141 -37.6192 -32.1825 -17.6983 -32.1826 55.7586 GPRESSAVG: 1933600 19.7236 -35.9561 -19.1564 -37.6965 -37.3032 -33.4984 -17.6968 -30.4213 55.9564 TIMING: 1933600 CPU: 5606.06, 0.00290397/step Wall: 5606.06, 0.00290397/step, 2.47354 hours remaining, 209.070312 MB of memory in use. ENERGY: 1933600 729.8143 2097.8812 1978.0095 117.2619 -206204.9874 17785.6827 0.0000 0.0000 34208.1731 -149288.1647 298.7485 -183496.3378 -149190.4702 298.8523 61.3663 97.0762 556961.5541 12.9118 12.7923 PRESSURE: 1933800 -353.599 -111.808 -104.171 -111.808 -209.744 140.768 -104.17 140.768 109.698 GPRESSURE: 1933800 -323.899 -47.4161 -117.475 -184.53 -141.955 184.442 -127.044 168.742 116.768 PRESSAVG: 1933800 8.84297 23.5981 -39.8649 23.598 -33.7908 -68.5127 -39.8649 -68.5127 28.7865 GPRESSAVG: 1933800 8.94092 24.32 -36.7391 22.4188 -33.793 -69.3069 -41.4111 -69.7422 28.2666 TIMING: 1933800 CPU: 5606.63, 0.00285899/step Wall: 5606.63, 0.00285899/step, 2.43506 hours remaining, 209.070312 MB of memory in use. ENERGY: 1933800 784.4460 2034.0759 1970.5546 118.5938 -206347.0512 17629.9055 0.0000 0.0000 34423.4875 -149385.9879 300.6289 -183809.4754 -149284.5849 298.7141 -151.2148 -116.3616 557668.4577 1.2796 1.1382 PRESSURE: 1934000 38.6528 -124.891 163.553 -124.891 116.864 156.96 163.552 156.959 177.057 GPRESSURE: 1934000 95.7165 -186.073 80.2883 -17.4476 156.952 145.401 151.469 75.9021 184.428 PRESSAVG: 1934000 -56.2437 30.2222 -22.9963 30.2222 23.1005 -15.9896 -22.9962 -15.9896 18.896 GPRESSAVG: 1934000 -57.0085 29.4066 -25.0971 32.5147 24.2085 -16.2562 -23.6742 -17.1472 19.0419 TIMING: 1934000 CPU: 5607.21, 0.00286694/step Wall: 5607.21, 0.00286695/step, 2.44168 hours remaining, 209.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1934000 766.2503 2028.9136 1977.1317 111.6939 -206612.7421 18139.0664 0.0000 0.0000 34301.7315 -149287.9547 299.5656 -183589.6863 -149183.0372 298.4996 110.8577 145.6991 557828.6245 -4.7490 -4.5860 PRESSURE: 1934200 -309.62 5.13609 68.8487 5.13739 -288.846 0.855379 68.8484 0.855928 -191.718 GPRESSURE: 1934200 -262.137 64.0079 116.973 0.582911 -315.442 19.4409 -69.6932 73.671 -108.955 PRESSAVG: 1934200 -25.0851 13.0609 -25.8691 13.0608 -40.392 48.3195 -25.8691 48.3196 101.974 GPRESSAVG: 1934200 -22.7574 12.131 -26.2078 13.1467 -42.8407 47.2234 -25.4075 50.7707 102.309 TIMING: 1934200 CPU: 5607.78, 0.00287967/step Wall: 5607.78, 0.00287967/step, 2.45236 hours remaining, 209.070312 MB of memory in use. ENERGY: 1934200 733.5206 2100.2305 1938.7699 105.8066 -205855.5051 17339.2498 0.0000 0.0000 34191.8534 -149446.0742 298.6060 -183637.9276 -149353.9540 298.6563 -263.3949 -228.8450 557780.4087 12.1656 12.2370 PRESSURE: 1934400 -136.079 17.6692 -69.1226 17.6689 -17.5454 -88.0138 -69.1235 -88.0131 -16.638 GPRESSURE: 1934400 -164.106 64.1383 -164.327 -95.6437 70.0554 -73.2036 38.6523 -82.5185 21.1749 PRESSAVG: 1934400 2.9292 -3.36723 -35.7941 -3.36735 -2.57723 -33.6715 -35.7941 -33.6714 4.9606 GPRESSAVG: 1934400 0.875855 -1.15844 -35.3027 -4.17827 -1.03164 -30.2924 -34.0972 -35.9354 5.863 TIMING: 1934400 CPU: 5608.36, 0.00290079/step Wall: 5608.36, 0.00290079/step, 2.47018 hours remaining, 209.070312 MB of memory in use. ENERGY: 1934400 744.2013 2188.4233 1947.1464 110.4669 -206393.8715 17831.8524 0.0000 0.0000 34124.3708 -149447.4104 298.0166 -183571.7812 -149354.5164 298.9804 -56.7542 -24.2920 557567.0692 1.7709 1.9024 PRESSURE: 1934600 112.873 55.5575 86.4651 55.559 225.481 82.8064 86.4646 82.8068 133.025 GPRESSURE: 1934600 143.794 67.8409 98.0693 45.1899 255.695 132.928 33.9945 20.7957 170.483 PRESSAVG: 1934600 -12.9263 30.1008 -12.3564 30.1008 25.1881 -16.5148 -12.3564 -16.5148 0.743264 GPRESSAVG: 1934600 -12.1539 29.1276 -12.8037 29.6995 25.9587 -18.3768 -13.5156 -14.2607 0.0878552 TIMING: 1934600 CPU: 5608.94, 0.00287362/step Wall: 5608.94, 0.00287362/step, 2.44688 hours remaining, 209.070312 MB of memory in use. ENERGY: 1934600 723.4717 2119.5191 1934.1894 118.0846 -206389.9820 18023.5013 0.0000 0.0000 34196.5578 -149274.6581 298.6470 -183471.2159 -149181.8037 299.1650 157.1263 189.9907 556771.0983 4.3350 4.6309 PRESSURE: 1934800 107.621 190.262 -44.8258 190.262 -7.78111 -12.8879 -44.8253 -12.8877 35.7235 GPRESSURE: 1934800 171.221 67.1014 9.59119 272.547 -1.91074 -29.0682 -108.865 11.8621 71.8295 PRESSAVG: 1934800 -13.7399 48.7163 -10.2608 48.7163 -3.6044 14.2236 -10.2608 14.2236 50.2169 GPRESSAVG: 1934800 -13.8626 47.3707 -10.1863 50.6335 -3.53024 15.441 -11.5025 13.4315 50.5013 TIMING: 1934800 CPU: 5609.51, 0.00287443/step Wall: 5609.51, 0.00287443/step, 2.44742 hours remaining, 209.070312 MB of memory in use. ENERGY: 1934800 739.2788 2087.9064 1970.0976 117.5971 -206364.7671 17683.6125 0.0000 0.0000 34247.1023 -149519.1724 299.0885 -183766.2747 -149419.2635 299.1200 45.1877 80.3800 555237.3779 10.9575 11.0361 PRESSURE: 1935000 -221.29 39.9247 -93.4881 39.9242 -124.825 138.543 -93.4894 138.543 43.6766 GPRESSURE: 1935000 -185.356 36.028 -100.96 83.9088 -67.4066 39.287 -60.9858 159.289 51.8264 PRESSAVG: 1935000 -5.16818 9.29362 -1.70416 9.29369 32.5869 39.5817 -1.7042 39.5818 -2.57257 GPRESSAVG: 1935000 -4.99136 10.1451 -2.98639 7.73158 32.0856 38.6575 0.141621 40.9433 -2.36603 TIMING: 1935000 CPU: 5610.09, 0.0028783/step Wall: 5610.09, 0.0028783/step, 2.45056 hours remaining, 209.070312 MB of memory in use. ENERGY: 1935000 755.4508 2185.7224 1945.6215 94.3900 -206373.4360 17687.1154 0.0000 0.0000 34240.8955 -149464.2403 299.0343 -183705.1358 -149368.6604 298.7433 -100.8126 -66.9786 555042.2280 8.2820 8.2427 PRESSURE: 1935200 -48.549 -23.0203 -209.167 -23.0204 2.66762 147.317 -209.169 147.318 130.527 GPRESSURE: 1935200 25.4407 -53.7495 -249.872 37.2452 -24.0808 230.479 -180.864 100.168 189.503 PRESSAVG: 1935200 -32.5071 -1.55855 -58.7138 -1.55859 6.63032 33.4086 -58.7138 33.4087 20.8603 GPRESSAVG: 1935200 -33.066 -2.1556 -56.8877 0.0934285 7.90684 34.7742 -58.6056 32.088 20.1829 TIMING: 1935200 CPU: 5610.67, 0.00289106/step Wall: 5610.67, 0.00289106/step, 2.46126 hours remaining, 209.070312 MB of memory in use. ENERGY: 1935200 746.3903 2112.6744 1906.9590 105.4786 -206404.2451 17948.1581 0.0000 0.0000 34239.6626 -149344.9221 299.0235 -183584.5846 -149248.9346 298.6391 28.2153 63.6211 556323.0424 -1.6722 -1.6587 PRESSURE: 1935400 -111.97 36.1191 67.9823 36.1194 -153.298 -78.9335 67.9844 -78.9346 -68.1212 GPRESSURE: 1935400 -141.25 51.7255 26.8397 47.6509 -92.8411 -72.6136 115.473 -82.4778 0.0219287 PRESSAVG: 1935400 25.2946 14.0345 -26.4881 14.0344 -61.7855 48.237 -26.4881 48.2371 5.39835 GPRESSAVG: 1935400 25.6824 16.1486 -27.5946 12.2317 -62.7864 48.958 -27.6225 47.7632 5.97722 TIMING: 1935400 CPU: 5611.24, 0.00288457/step Wall: 5611.24, 0.00288457/step, 2.45557 hours remaining, 209.070312 MB of memory in use. ENERGY: 1935400 756.5207 2120.2316 1922.0257 118.2733 -206439.3335 17717.8811 0.0000 0.0000 34489.1257 -149315.2754 301.2021 -183804.4011 -149216.4240 299.3725 -111.1296 -78.0231 556789.0763 -10.3642 -10.3756 PRESSURE: 1935600 -88.2047 22.6183 -41.3023 22.6181 82.144 43.9867 -41.3008 43.9866 113.15 GPRESSURE: 1935600 -106.296 -22.1993 -56.3774 75.5022 137.916 -81.2201 -77.6232 50.4526 179.05 PRESSAVG: 1935600 16.4922 41.0954 -14.9111 41.0953 -60.3024 69.9422 -14.9111 69.9422 49.6857 GPRESSAVG: 1935600 16.27 40.8548 -14.7826 41.6382 -60.8278 69.45 -14.038 70.0923 50.9362 TIMING: 1935600 CPU: 5611.82, 0.00287139/step Wall: 5611.82, 0.00287139/step, 2.44419 hours remaining, 209.070312 MB of memory in use. ENERGY: 1935600 771.4495 2066.8621 1931.9549 121.8322 -206272.3298 17933.1649 0.0000 0.0000 34185.1763 -149261.8899 298.5476 -183447.0662 -149168.3934 298.7754 35.6963 70.2234 556915.3822 1.9585 2.1261 PRESSURE: 1935800 -111.419 90.483 -153.276 90.4821 -276.456 -67.9372 -153.278 -67.9367 -487.164 GPRESSURE: 1935800 -109.032 45.6969 -158.17 92.3588 -274.447 -64.2322 -96.2287 -138.238 -391.075 PRESSAVG: 1935800 -18.2699 -7.2069 -27.9197 -7.20685 -32.8969 18.2536 -27.9197 18.2536 27.466 GPRESSAVG: 1935800 -19.856 -7.60941 -26.8816 -6.34569 -31.5655 18.3487 -26.8905 16.1256 27.5598 TIMING: 1935800 CPU: 5612.39, 0.00287602/step Wall: 5612.39, 0.00287602/step, 2.44797 hours remaining, 209.070312 MB of memory in use. ENERGY: 1935800 728.8515 2104.1600 1923.6345 111.6830 -205687.2219 17266.4832 0.0000 0.0000 34167.7847 -149384.6251 298.3958 -183552.4097 -149285.0151 299.2074 -291.6796 -258.1847 557171.5071 -7.9003 -7.9539 PRESSURE: 1936000 -12.9784 36.1307 51.4222 36.1302 53.431 -46.5103 51.4215 -46.5125 377.286 GPRESSURE: 1936000 55.1213 35.6286 9.41897 0.767557 37.3316 -68.8795 130.666 -59.2253 418.733 PRESSAVG: 1936000 -27.5124 44.5417 -21.0147 44.5418 17.4312 -9.19136 -21.0147 -9.19128 -8.95128 GPRESSAVG: 1936000 -26.4329 41.7596 -20.108 46.4871 16.1809 -8.30984 -20.6059 -8.99245 -9.25629 TIMING: 1936000 CPU: 5612.97, 0.00286929/step Wall: 5612.97, 0.00286929/step, 2.44208 hours remaining, 209.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1936000 752.0688 2104.6941 1944.8944 115.2499 -206659.2694 18179.0087 0.0000 0.0000 34007.4200 -149555.9334 296.9953 -183563.3534 -149468.8997 298.7700 139.2463 170.3954 556923.8990 -6.3442 -6.5028 PRESSURE: 1936200 -117.28 -179.859 74.7607 -179.859 2.35196 -104.019 74.7598 -104.018 -103.081 GPRESSURE: 1936200 -75.5285 -174.047 43.932 -219.427 40.6845 -36.3748 104.111 -45.8635 -80.9771 PRESSAVG: 1936200 15.4179 -11.2995 22.3438 -11.2994 12.1639 -47.0057 22.3437 -47.0057 -16.114 GPRESSAVG: 1936200 15.2462 -10.2525 20.9848 -15.0651 13.7691 -49.226 21.9121 -45.0827 -17.9729 TIMING: 1936200 CPU: 5613.55, 0.00289489/step Wall: 5613.55, 0.00289489/step, 2.46372 hours remaining, 209.070312 MB of memory in use. ENERGY: 1936200 776.2187 2080.4534 1923.9710 111.1406 -206374.3707 17795.1646 0.0000 0.0000 34152.8871 -149534.5352 298.2657 -183687.4223 -149444.3170 298.2327 -72.6696 -38.6070 556673.6111 3.8226 3.6808 LDB: ============= START OF LOAD BALANCING ============== 5616.93 LDB: ============== END OF LOAD BALANCING =============== 5616.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5616.93 LDB: ============= START OF LOAD BALANCING ============== 5617.22 LDB: Largest compute 4820 load 0.025012 is 21.2% of average load 0.117944 LDB: Average compute 0.001734 is 1.5% of average load 0.117944 LDB: TIME 5617.22 LOAD: AVG 0.117944 MAX 0.179281 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.898 MB LDB: TIME 5617.22 LOAD: AVG 0.117944 MAX 0.179281 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.922 MB LDB: TIME 5617.22 LOAD: AVG 0.117944 MAX 0.179281 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.922 MB LDB: ============== END OF LOAD BALANCING =============== 5617.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5617.23 PRESSURE: 1936400 1.49966 17.1682 -19.5313 17.1676 216.527 140.014 -19.5321 140.014 123.537 GPRESSURE: 1936400 110.81 -23.4255 7.98352 55.0196 230.724 66.6894 -21.7657 122.425 81.4986 PRESSAVG: 1936400 25.9765 27.7446 24.8388 27.7446 -50.1485 32.8213 24.8388 32.8212 6.82247 GPRESSAVG: 1936400 26.1657 30.1061 25.8621 30.9374 -51.591 33.5491 24.762 32.9133 8.11604 TIMING: 1936400 CPU: 5614.13, 0.00294252/step Wall: 5614.13, 0.00294252/step, 2.50409 hours remaining, 208.343750 MB of memory in use. ENERGY: 1936400 727.3139 2084.0018 1948.2543 108.8954 -206319.1992 17898.9328 0.0000 0.0000 34069.5632 -149482.2378 297.5380 -183551.8010 -149385.3055 297.9210 113.8548 141.0110 558207.5362 -5.7832 -5.7698 PRESSURE: 1936600 2.54206 -180.664 -27.4631 -180.664 41.7855 15.9745 -27.4631 15.9745 8.76231 GPRESSURE: 1936600 5.75009 -192.105 -7.58316 -170.19 91.3904 -70.3829 13.7192 73.5477 48.4455 PRESSAVG: 1936600 55.4225 10.6642 50.7741 10.6642 -39.4947 32.6125 50.7741 32.6124 -15.3434 GPRESSAVG: 1936600 54.8126 10.095 48.995 10.0335 -38.7133 31.4388 48.2601 33.494 -16.0212 TIMING: 1936600 CPU: 5614.71, 0.00289162/step Wall: 5614.71, 0.00289162/step, 2.46061 hours remaining, 208.343750 MB of memory in use. ENERGY: 1936600 772.9605 2107.0102 1936.9159 112.8440 -206425.4898 17905.2145 0.0000 0.0000 34149.4761 -149441.0685 298.2359 -183590.5446 -149350.8854 298.7651 17.6966 48.5287 558146.2465 0.1948 0.0260 PRESSURE: 1936800 -136.308 -61.0288 4.03033 -61.0289 -51.0704 -114.602 4.03035 -114.604 -134.356 GPRESSURE: 1936800 -87.7912 -75.8175 -42.1465 -126.254 -44.4155 -50.7349 113.616 -169.171 -93.6942 PRESSAVG: 1936800 29.5656 6.03534 -5.34022 6.03524 -5.26192 -29.7861 -5.34034 -29.7862 -39.5529 GPRESSAVG: 1936800 29.899 5.60378 -3.8318 3.74671 -5.62318 -28.5998 -4.03682 -31.8195 -39.9827 TIMING: 1936800 CPU: 5615.29, 0.0029001/step Wall: 5615.29, 0.0029001/step, 2.46766 hours remaining, 208.343750 MB of memory in use. ENERGY: 1936800 780.7615 2130.1689 1951.4658 112.1398 -206290.1411 17719.1006 0.0000 0.0000 34135.7037 -149460.8008 298.1156 -183596.5045 -149364.2557 298.0559 -107.2448 -75.3003 557514.0425 -5.0831 -5.2356 PRESSURE: 1937000 -36.3483 179.483 43.8803 179.484 229.919 124.76 43.8802 124.761 123.338 GPRESSURE: 1937000 -24.4346 154.657 48.6403 156.746 274.244 105.864 -1.4985 123.232 162.92 PRESSAVG: 1937000 -62.1789 20.0142 50.3529 20.0142 73.8545 26.3517 50.3529 26.3517 -3.09886 GPRESSAVG: 1937000 -62.3626 18.3613 50.1472 22.1241 74.3348 26.0824 49.7695 26.8551 -3.65328 TIMING: 1937000 CPU: 5615.87, 0.00289895/step Wall: 5615.87, 0.00289895/step, 2.46653 hours remaining, 208.343750 MB of memory in use. ENERGY: 1937000 763.5319 2103.4062 1938.0925 114.4806 -206365.0819 18040.6951 0.0000 0.0000 33947.5102 -149457.3654 296.4720 -183404.8756 -149362.0388 298.6059 105.6362 137.5766 557979.5190 2.8589 2.7730 PRESSURE: 1937200 153.194 -11.1234 22.6964 -11.1227 -167.841 164.77 22.6971 164.77 125.66 GPRESSURE: 1937200 237.446 -71.3283 15.1239 68.3123 -144.392 47.9814 21.7104 93.5135 109.528 PRESSAVG: 1937200 28.3746 -5.30608 17.6305 -5.30596 -69.0386 -21.9623 17.6304 -21.9623 -1.41159 GPRESSAVG: 1937200 29.4529 -4.98639 18.6964 -4.82162 -70.3809 -21.1689 18.6368 -22.5297 -0.542325 TIMING: 1937200 CPU: 5616.46, 0.00291969/step Wall: 5616.46, 0.00291969/step, 2.48401 hours remaining, 208.343750 MB of memory in use. ENERGY: 1937200 740.4782 2138.5955 1946.0870 111.5564 -206285.6331 17906.0544 0.0000 0.0000 34155.5493 -149287.3123 298.2889 -183442.8616 -149193.0501 298.3797 37.0043 67.5276 558886.8676 -14.0252 -13.8234 PRESSURE: 1937400 11.5445 -47.094 156.492 -47.0938 20.4096 -59.1714 156.491 -59.1732 167.808 GPRESSURE: 1937400 50.1376 -97.3311 112.245 -15.1043 84.5761 -11.3405 233.711 -65.2223 171.067 PRESSAVG: 1937400 -22.1018 16.5749 -27.7135 16.5749 8.46332 20.2389 -27.7135 20.239 4.16298 GPRESSAVG: 1937400 -21.4962 17.2922 -28.8915 15.2032 8.54326 18.9543 -28.2382 19.8839 2.86744 TIMING: 1937400 CPU: 5617.04, 0.00291445/step Wall: 5617.04, 0.00291445/step, 2.47939 hours remaining, 208.343750 MB of memory in use. ENERGY: 1937400 749.4427 2128.2829 1976.0167 123.6609 -206729.0836 18109.3347 0.0000 0.0000 34349.1932 -149293.1526 299.9800 -183642.3459 -149194.6756 298.7594 66.5874 101.9268 556484.4793 -3.1585 -3.3618 PRESSURE: 1937600 139.738 6.93709 -27.8261 6.937 80.9302 -151.43 -27.8252 -151.431 -254.985 GPRESSURE: 1937600 159.297 2.31587 3.39607 69.5247 66.5762 -162.183 -80.387 -112.047 -157.946 PRESSAVG: 1937600 70.3311 25.6811 -8.55514 25.681 -18.6358 -34.4029 -8.55522 -34.403 -44.9199 GPRESSAVG: 1937600 70.0813 26.5033 -8.15791 25.6863 -19.2976 -35.1672 -10.5884 -34.6067 -43.8329 TIMING: 1937600 CPU: 5617.62, 0.00288704/step Wall: 5617.62, 0.00288704/step, 2.4559 hours remaining, 208.343750 MB of memory in use. ENERGY: 1937600 754.8550 2062.5606 1943.9886 116.2324 -206607.0606 18076.0032 0.0000 0.0000 34350.8293 -149302.5915 299.9943 -183653.4208 -149202.1150 299.3816 -11.4389 22.6425 558888.2581 2.2585 2.3169 PRESSURE: 1937800 -164.336 83.4073 -95.3769 83.4076 -68.3601 -85.6514 -95.3781 -85.6506 109.172 GPRESSURE: 1937800 -124.574 116.881 -57.7532 14.1153 9.63353 -124.308 -72.1566 -71.5881 77.1984 PRESSAVG: 1937800 22.4816 9.35134 -22.0069 9.35134 -33.7362 -14.0816 -22.007 -14.0816 1.8378 GPRESSAVG: 1937800 20.3947 8.63506 -18.9267 8.29527 -32.3781 -13.1075 -22.1254 -12.0345 2.78799 TIMING: 1937800 CPU: 5618.19, 0.00288429/step Wall: 5618.19, 0.00288429/step, 2.45341 hours remaining, 208.343750 MB of memory in use. ENERGY: 1937800 779.5949 2065.2699 1972.5335 121.7568 -206407.5563 17825.3806 0.0000 0.0000 34151.5300 -149491.4906 298.2538 -183643.0206 -149399.9390 298.4725 -41.1747 -12.5806 559071.9827 -3.1389 -3.0651 PRESSURE: 1938000 -459.332 -167.309 -8.94976 -167.308 -124.283 -125.422 -8.9492 -125.42 -235.129 GPRESSURE: 1938000 -442.981 -116.26 -2.56498 -200.531 -93.1988 -123.355 20.3004 -163.254 -189.817 PRESSAVG: 1938000 -0.663075 -36.6697 -51.4924 -36.6697 3.43533 -8.58116 -51.4924 -8.58111 20.7944 GPRESSAVG: 1938000 0.161097 -38.8368 -54.8044 -35.3039 3.01386 -6.93853 -47.7136 -11.7337 20.1169 TIMING: 1938000 CPU: 5618.77, 0.00289489/step Wall: 5618.77, 0.00289489/step, 2.46226 hours remaining, 208.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1938000 726.7638 2109.7626 1965.9750 131.5702 -205779.7745 17310.4576 0.0000 0.0000 34066.6380 -149468.6072 297.5124 -183535.2452 -149367.8515 298.0578 -272.9147 -241.9990 559207.9209 7.8556 7.7640 PRESSURE: 1938200 -83.2869 21.6841 -7.69716 21.6844 -94.1014 4.84493 -7.69771 4.84396 131.785 GPRESSURE: 1938200 -52.7373 -2.5268 17.084 14.8393 -66.1287 -149.067 -29.9068 66.164 178.341 PRESSAVG: 1938200 0.64626 -77.9587 15.9211 -77.9587 4.33337 12.6807 15.9211 12.6806 36.6828 GPRESSAVG: 1938200 0.512014 -75.3725 16.4987 -78.6494 4.27807 10.1599 14.4811 14.47 37.4502 TIMING: 1938200 CPU: 5619.35, 0.00290344/step Wall: 5619.35, 0.00290344/step, 2.46937 hours remaining, 208.343750 MB of memory in use. ENERGY: 1938200 784.4727 2100.0850 1981.3483 110.8557 -206268.9294 17793.1822 0.0000 0.0000 34202.2225 -149296.7630 298.6965 -183498.9855 -149202.7386 298.7554 -15.2012 19.8251 557273.2610 13.8875 14.0801 PRESSURE: 1938400 -2.59213 -133.216 69.2732 -133.217 -227.714 -132.62 69.2735 -132.621 117.967 GPRESSURE: 1938400 55.9037 -89.4494 46.3301 -149.546 -220.722 -117.436 70.2477 -109.934 146.049 PRESSAVG: 1938400 -10.6945 -5.82135 6.44224 -5.82125 -40.6701 -8.02804 6.44218 -8.02805 65.5046 GPRESSAVG: 1938400 -11.8934 -7.66854 7.13155 -3.75436 -38.4174 -6.6712 4.86896 -6.15606 64.2239 TIMING: 1938400 CPU: 5619.93, 0.00289291/step Wall: 5619.93, 0.00289291/step, 2.46026 hours remaining, 208.343750 MB of memory in use. ENERGY: 1938400 746.6651 2149.1693 1975.0768 118.6148 -206489.7682 17904.6921 0.0000 0.0000 34196.0537 -149399.4964 298.6426 -183595.5501 -149302.0895 299.0214 -37.4464 -6.2564 558557.5185 4.7133 4.6377 PRESSURE: 1938600 20.7437 -3.25248 -39.1922 -3.25214 42.4686 -15.5653 -39.1911 -15.5648 119.66 GPRESSURE: 1938600 44.6953 -19.3054 -19.2847 -69.9254 121.546 16.1224 70.0222 -48.6114 115.005 PRESSAVG: 1938600 77.1189 6.73561 -67.2248 6.7356 -59.3792 57.5647 -67.2248 57.5646 0.380029 GPRESSAVG: 1938600 77.4028 9.35513 -65.1433 3.80676 -61.2071 55.7985 -66.3449 57.6661 2.05581 TIMING: 1938600 CPU: 5620.51, 0.00288381/step Wall: 5620.51, 0.00288381/step, 2.45236 hours remaining, 208.343750 MB of memory in use. ENERGY: 1938600 773.2612 2122.3900 1956.9783 125.7134 -206470.7033 17851.0147 0.0000 0.0000 34198.7884 -149442.5573 298.6665 -183641.3458 -149336.7065 299.5714 60.9575 93.7489 555278.2686 6.0399 6.0838 PRESSURE: 1938800 102.935 -84.3649 1.58479 -84.3646 -260.908 -132.437 1.58375 -132.437 -284.483 GPRESSURE: 1938800 116.956 -53.5918 -58.4139 -154.792 -190.799 -32.7933 36.4307 -98.8454 -270.855 PRESSAVG: 1938800 11.6734 55.7152 -22.556 55.7154 -41.5676 30.7346 -22.556 30.7346 38.7958 GPRESSAVG: 1938800 13.1099 52.9063 -26.2096 56.593 -41.2438 29.9379 -20.5096 29.7343 37.3754 TIMING: 1938800 CPU: 5621.08, 0.00287522/step Wall: 5621.08, 0.00287522/step, 2.44489 hours remaining, 208.343750 MB of memory in use. ENERGY: 1938800 801.8265 2059.8169 1947.8306 113.6105 -206033.1548 17612.9516 0.0000 0.0000 33975.1850 -149521.9337 296.7137 -183497.1187 -149424.6964 298.9617 -147.4851 -114.8997 557446.7137 2.9672 3.0805 PRESSURE: 1939000 43.715 -48.8179 -186.603 -48.8175 101.054 43.4558 -186.603 43.4553 8.98743 GPRESSURE: 1939000 42.4568 -64.5565 -117.601 -136.681 129.261 58.2125 -199.215 46.2629 82.7227 PRESSAVG: 1939000 -0.643924 -37.0375 -14.6186 -37.0375 -24.807 18.4874 -14.6186 18.4874 -14.8897 GPRESSAVG: 1939000 -1.01062 -35.3436 -14.0698 -37.3923 -23.9167 19.5356 -17.1469 20.6312 -15.6843 TIMING: 1939000 CPU: 5621.66, 0.00286596/step Wall: 5621.66, 0.00286596/step, 2.43686 hours remaining, 208.398438 MB of memory in use. ENERGY: 1939000 730.8683 2062.9004 1935.3543 106.6950 -206523.1813 18006.5307 0.0000 0.0000 34210.2078 -149470.6249 298.7663 -183680.8327 -149373.8463 298.1477 51.2520 84.8135 557541.0326 -13.4469 -13.5372 PRESSURE: 1939200 -451.618 110.638 75.3617 110.636 136.37 -39.4845 75.362 -39.4849 -111.339 GPRESSURE: 1939200 -388.244 52.4863 23.7104 68.7161 121.529 -2.73652 112.272 -40.0457 -73.1815 PRESSAVG: 1939200 -8.20641 -28.0076 -52.2317 -28.0077 -7.19464 21.2026 -52.2316 21.2028 -2.12857 GPRESSAVG: 1939200 -9.02705 -28.7988 -54.369 -27.496 -8.21816 20.8834 -51.1331 18.8674 -0.420938 TIMING: 1939200 CPU: 5622.23, 0.00287584/step Wall: 5622.23, 0.00287584/step, 2.4451 hours remaining, 208.398438 MB of memory in use. ENERGY: 1939200 761.1538 2107.5792 1962.6517 114.4706 -206250.1978 17779.4900 0.0000 0.0000 34109.2770 -149415.5756 297.8848 -183524.8526 -149325.0086 298.0672 -142.1955 -113.2988 558792.8485 -5.8432 -5.8887 PRESSURE: 1939400 176.74 -63.1215 -43.6242 -63.121 197.941 -83.7608 -43.624 -83.7601 12.6442 GPRESSURE: 1939400 159.329 -11.6223 -35.6502 -12.3236 264.22 1.58414 -15.9689 -96.8759 56.3447 PRESSAVG: 1939400 30.1825 39.3881 -39.6127 39.3881 -31.3039 58.8481 -39.6127 58.8482 23.7189 GPRESSAVG: 1939400 30.7634 39.4403 -37.9708 39.3042 -31.1553 61.2511 -40.1416 58.588 23.2948 TIMING: 1939400 CPU: 5622.81, 0.00287433/step Wall: 5622.81, 0.00287433/step, 2.44366 hours remaining, 208.398438 MB of memory in use. ENERGY: 1939400 733.8636 2087.4145 1950.3881 98.4625 -206473.2884 17924.9808 0.0000 0.0000 34203.6657 -149474.5133 298.7091 -183678.1790 -149372.3935 298.7050 129.1085 159.9648 557507.2414 7.5325 7.6343 PRESSURE: 1939600 88.8958 64.5606 -159.421 64.56 -26.5909 45.4173 -159.421 45.4169 -311.388 GPRESSURE: 1939600 118.829 72.4073 -187.859 24.191 13.1005 14.7469 -95.1608 82.4786 -281.382 PRESSAVG: 1939600 51.0277 -15.9159 -43.2501 -15.9159 43.1773 -5.59165 -43.2501 -5.59165 -88.2603 GPRESSAVG: 1939600 50.7049 -15.5801 -43.6193 -15.7838 43.4651 -5.62552 -41.1333 -6.28693 -88.2291 TIMING: 1939600 CPU: 5623.39, 0.00289793/step Wall: 5623.39, 0.00289793/step, 2.46356 hours remaining, 208.398438 MB of memory in use. ENERGY: 1939600 750.5558 2106.7060 1928.9550 105.9672 -206265.4452 17635.1982 0.0000 0.0000 34271.0559 -149467.0071 299.2977 -183738.0630 -149362.2563 299.0576 -83.0278 -49.8176 555944.1619 1.9816 1.9803 PRESSURE: 1939800 -138.334 28.2061 -65.2606 28.2051 14.7766 5.55826 -65.261 5.55829 35.6781 GPRESSURE: 1939800 -53.653 -17.3539 -2.10985 -4.14641 49.4732 42.3915 -103.728 31.2497 17.0099 PRESSAVG: 1939800 3.56919 45.5865 9.25708 45.5864 84.2608 15.53 9.2571 15.5301 -65.5013 GPRESSAVG: 1939800 3.3975 44.5759 9.7976 45.9719 84.3557 15.7211 7.54031 16.3925 -65.5304 TIMING: 1939800 CPU: 5623.96, 0.00289121/step Wall: 5623.96, 0.00289121/step, 2.45769 hours remaining, 208.398438 MB of memory in use. ENERGY: 1939800 726.3946 2099.1945 1952.8217 114.1412 -206481.3723 17883.0050 0.0000 0.0000 34125.6000 -149580.2153 298.0274 -183705.8153 -149486.0741 299.0283 -29.2929 4.2767 557573.6313 7.4429 7.4076 PRESSURE: 1940000 22.8737 71.8238 81.2858 71.8231 205.006 0.174892 81.2843 0.17506 -104.819 GPRESSURE: 1940000 -3.62601 18.6332 78.5997 48.5527 217.865 -8.50557 92.0222 -38.587 -5.94079 PRESSAVG: 1940000 -39.8748 4.28602 -6.3393 4.286 51.7661 -5.85137 -6.33936 -5.8515 33.5686 GPRESSAVG: 1940000 -39.2822 4.73389 -4.4884 3.2239 51.1875 -7.98573 -6.15328 -3.68322 33.88 TIMING: 1940000 CPU: 5624.54, 0.00289774/step Wall: 5624.54, 0.00289774/step, 2.46308 hours remaining, 208.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1940000 744.5475 2095.0578 1952.9506 116.7418 -206581.3474 18024.8467 0.0000 0.0000 34223.5464 -149423.6566 298.8827 -183647.2030 -149330.7711 299.2654 41.0204 69.4328 557881.8117 15.1533 15.2618 PRESSURE: 1940200 -1.57869 114.067 29.8855 114.067 225.652 -27.9823 29.8858 -27.9832 188.017 GPRESSURE: 1940200 68.6738 157.903 -15.4343 78.5644 254.971 -60.9962 11.2248 -40.1649 169.633 PRESSAVG: 1940200 -9.10107 33.7877 41.5614 33.7878 -35.4139 -30.8118 41.5614 -30.8117 78.0718 GPRESSAVG: 1940200 -10.0972 35.1897 40.293 32.6704 -34.7606 -29.0316 40.4009 -33.1415 78.2322 TIMING: 1940200 CPU: 5625.12, 0.00287626/step Wall: 5625.12, 0.00287626/step, 2.44466 hours remaining, 208.398438 MB of memory in use. ENERGY: 1940200 717.7104 2098.3820 1936.4096 111.4613 -207140.2156 18212.0445 0.0000 0.0000 34511.9525 -149552.2553 301.4015 -184064.2078 -149455.7119 299.6807 137.3634 164.4260 556096.0731 11.1856 11.1248 LDB: ============= START OF LOAD BALANCING ============== 5628.51 LDB: ============== END OF LOAD BALANCING =============== 5628.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5628.51 LDB: ============= START OF LOAD BALANCING ============== 5628.79 LDB: Largest compute 4820 load 0.025755 is 21.8% of average load 0.117940 LDB: Average compute 0.001729 is 1.5% of average load 0.117940 LDB: TIME 5628.8 LOAD: AVG 0.11794 MAX 0.179456 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.09 MB LDB: TIME 5628.8 LOAD: AVG 0.11794 MAX 0.179456 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: TIME 5628.8 LOAD: AVG 0.11794 MAX 0.179456 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: ============== END OF LOAD BALANCING =============== 5628.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5628.8 PRESSURE: 1940400 -200.368 -85.9417 -64.4989 -85.9421 -264.651 -215.436 -64.4996 -215.436 -282.783 GPRESSURE: 1940400 -186.396 -108.47 -81.33 -34.1414 -166.897 -228.177 -63.5337 -144.731 -294.827 PRESSAVG: 1940400 -22.4767 22.158 -6.07771 22.1581 25.5004 51.3189 -6.07768 51.3187 -7.65452 GPRESSAVG: 1940400 -20.7814 21.7752 -8.11515 24.3512 25.2296 49.9751 -3.67141 53.2057 -9.08659 TIMING: 1940400 CPU: 5625.71, 0.00294324/step Wall: 5625.71, 0.00294324/step, 2.50143 hours remaining, 209.632812 MB of memory in use. ENERGY: 1940400 721.1640 2142.1398 1939.7147 110.7596 -205803.1601 17172.4402 0.0000 0.0000 34254.3292 -149462.6126 299.1516 -183716.9418 -149367.7937 298.4320 -249.2674 -216.0403 556114.2626 -1.5436 -1.5461 PRESSURE: 1940600 45.3686 104.686 122.144 104.687 -150.923 10.7336 122.143 10.735 316.654 GPRESSURE: 1940600 68.7692 96.9922 173.886 134.493 -93.6938 5.60641 74.7045 -30.6587 339.345 PRESSAVG: 1940600 0.620653 11.095 12.0825 11.0949 -1.07211 16.3239 12.0825 16.3241 34.5392 GPRESSAVG: 1940600 0.326076 10.7333 12.7081 10.5399 -0.13859 17.8574 9.32268 14.4092 34.1256 TIMING: 1940600 CPU: 5626.28, 0.00288112/step Wall: 5626.28, 0.00288112/step, 2.44847 hours remaining, 209.738281 MB of memory in use. ENERGY: 1940600 702.3545 2098.7776 1944.3334 112.3372 -206566.5624 17863.1968 0.0000 0.0000 34247.7635 -149597.7994 299.0942 -183845.5629 -149502.1984 298.5360 70.3666 104.8068 555525.3469 11.3626 11.4377 PRESSURE: 1940800 -24.5209 36.0365 -39.5244 36.0369 -44.224 165.503 -39.5242 165.504 -5.08332 GPRESSURE: 1940800 11.4232 10.7482 -56.6031 -6.13609 -40.5933 234.942 70.3811 106.426 43.2159 PRESSAVG: 1940800 48.1061 45.9909 27.7598 45.991 -37.8652 30.2024 27.7597 30.2023 3.3345 GPRESSAVG: 1940800 48.0985 45.9431 29.2354 46.4175 -38.1929 28.8221 27.1393 31.663 3.63223 TIMING: 1940800 CPU: 5626.86, 0.00286538/step Wall: 5626.86, 0.00286538/step, 2.43493 hours remaining, 209.738281 MB of memory in use. ENERGY: 1940800 739.1083 2149.2482 1939.8870 99.4923 -206351.2283 17816.5419 0.0000 0.0000 34144.0753 -149462.8753 298.1887 -183606.9507 -149366.9281 298.2989 -24.6094 4.6819 556496.7333 4.5251 4.5126 PRESSURE: 1941000 -124.734 -124.486 -58.0902 -124.486 -253.899 -68.7472 -58.0889 -68.7478 136.457 GPRESSURE: 1941000 -119.601 -64.7978 -62.9176 -88.353 -168.456 -140.183 -39.0904 -35.3073 135.512 PRESSAVG: 1941000 28.7585 19.4735 -2.6182 19.4735 -7.74746 -10.3093 -2.61812 -10.3094 -8.36723 GPRESSAVG: 1941000 28.8764 18.7509 -2.777 19.6454 -8.1987 -9.82006 0.362377 -10.0674 -8.16213 TIMING: 1941000 CPU: 5627.43, 0.00287074/step Wall: 5627.43, 0.00287074/step, 2.43933 hours remaining, 209.738281 MB of memory in use. ENERGY: 1941000 779.1675 2119.0487 1947.3775 100.7510 -206181.7184 17680.3026 0.0000 0.0000 34033.3814 -149521.6898 297.2220 -183555.0712 -149433.8895 298.8714 -80.7256 -50.8480 556578.0701 4.2146 4.1718 PRESSURE: 1941200 62.3558 -24.0036 -186.057 -24.0033 -164.269 38.172 -186.056 38.1709 -45.0666 GPRESSURE: 1941200 72.6428 -29.4108 -177.512 11.4242 -125.298 19.9445 -101.405 41.0512 11.3113 PRESSAVG: 1941200 22.4828 -73.1704 -50.3107 -73.1704 -31.6009 16.6357 -50.3108 16.6357 2.80041 GPRESSAVG: 1941200 22.3864 -75.0785 -49.3508 -70.511 -30.7542 15.0323 -52.7293 17.915 2.72265 TIMING: 1941200 CPU: 5628, 0.00286405/step Wall: 5628, 0.00286405/step, 2.43349 hours remaining, 209.855469 MB of memory in use. ENERGY: 1941200 788.4571 2102.0856 1985.1849 105.8952 -206530.3812 17842.5047 0.0000 0.0000 34041.3652 -149664.8884 297.2917 -183706.2537 -149567.3235 298.1499 -48.9931 -13.7812 555800.5229 -2.1059 -1.8817 PRESSURE: 1941400 -51.3435 -217.39 -34.8093 -217.393 -97.7186 -14.5444 -34.8087 -14.5437 131.1 GPRESSURE: 1941400 -70.702 -216.49 -88.0828 -211.284 -57.9327 -0.429774 -1.53498 -119.878 212.275 PRESSAVG: 1941400 -67.4263 -14.9832 -81.2002 -14.9833 51.1035 -12.5838 -81.2002 -12.5838 34.5126 GPRESSAVG: 1941400 -67.7646 -12.9105 -83.3974 -17.0949 50.3114 -11.9595 -80.1723 -14.6918 35.5815 TIMING: 1941400 CPU: 5628.58, 0.00286041/step Wall: 5628.58, 0.00286041/step, 2.43024 hours remaining, 209.855469 MB of memory in use. ENERGY: 1941400 726.6558 2113.0726 1957.8838 122.9495 -206511.2260 17837.2755 0.0000 0.0000 34178.5514 -149574.8374 298.4898 -183753.3887 -149475.6304 298.5390 -5.9874 27.8800 556220.4059 6.0633 6.0428 PRESSURE: 1941600 -87.3173 -42.9301 -101.076 -42.9299 155.09 95.3007 -101.076 95.3009 28.2537 GPRESSURE: 1941600 -93.1913 -28.546 -146.964 -39.9969 199.889 121.773 5.56685 86.9954 74.5235 PRESSAVG: 1941600 -84.4223 19.9342 -37.8609 19.9341 86.8523 8.56848 -37.8609 8.56846 -17.6661 GPRESSAVG: 1941600 -84.1598 17.9838 -36.0635 21.5697 87.3557 8.80386 -39.3986 8.22253 -18.3747 TIMING: 1941600 CPU: 5629.15, 0.00286424/step Wall: 5629.15, 0.00286424/step, 2.43333 hours remaining, 209.855469 MB of memory in use. ENERGY: 1941600 719.2788 2086.5625 1961.1705 121.1504 -206291.6120 17659.1037 0.0000 0.0000 34199.5474 -149544.7985 298.6732 -183744.3459 -149448.1094 297.9120 32.0088 60.4070 556292.0456 -5.0787 -5.0596 PRESSURE: 1941800 -30.4184 115.523 -192.949 115.523 -79.5908 -203.108 -192.951 -203.11 -37.978 GPRESSURE: 1941800 -19.6372 142.303 -117.634 227.546 -64.2793 -180.031 -271.601 -193.73 31.7897 PRESSAVG: 1941800 -4.1226 37.7455 -44.8673 37.7455 46.7871 63.019 -44.8674 63.019 -36.0064 GPRESSAVG: 1941800 -4.03637 37.9482 -46.4499 34.5612 46.8542 64.2741 -43.87 62.8439 -36.1386 TIMING: 1941800 CPU: 5629.73, 0.00288771/step Wall: 5629.73, 0.00288771/step, 2.45311 hours remaining, 209.855469 MB of memory in use. ENERGY: 1941800 780.6163 2139.4750 1947.7834 109.8712 -206398.5773 17801.8404 0.0000 0.0000 34191.2160 -149427.7750 298.6004 -183618.9910 -149336.0765 298.6012 -49.3291 -17.3756 556514.8976 2.2194 2.2264 PRESSURE: 1942000 52.2343 -36.1198 -22.5588 -36.1188 19.7718 -32.7796 -22.5592 -32.7806 128.013 GPRESSURE: 1942000 95.6726 -78.8891 -20.5956 -111.399 55.0149 -6.2741 -67.8552 5.50718 147.483 PRESSAVG: 1942000 34.0597 11.8092 6.58194 11.8093 -1.2783 38.5132 6.58196 38.5131 -1.59039 GPRESSAVG: 1942000 34.7069 13.2253 7.55806 13.4674 -0.981366 37.6591 7.1992 39.5179 -1.92409 TIMING: 1942000 CPU: 5630.3, 0.00287239/step Wall: 5630.3, 0.00287239/step, 2.43993 hours remaining, 209.855469 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: 1942000 730.7493 2087.4280 1966.8490 112.9945 -206242.6781 17751.7744 0.0000 0.0000 34303.3619 -149289.5210 299.5798 -183592.8829 -149189.5268 299.4383 66.6729 99.3903 556304.5251 10.3970 10.6005 PRESSURE: 1942200 47.8268 -28.4753 -155.39 -28.4729 380.639 29.467 -155.39 29.4669 43.3934 GPRESSURE: 1942200 115.613 45.8347 -197.795 -20.0296 381.765 -2.24222 -88.5568 -16.629 63.6297 PRESSAVG: 1942200 -84.1663 0.428902 -59.0847 0.42879 13.4841 -7.03226 -59.0846 -7.03227 7.65821 GPRESSAVG: 1942200 -83.7572 0.761313 -58.3753 0.104334 13.9984 -9.19001 -61.1186 -6.7314 7.28298 TIMING: 1942200 CPU: 5630.88, 0.00287386/step Wall: 5630.88, 0.00287386/step, 2.44102 hours remaining, 209.855469 MB of memory in use. ENERGY: 1942200 726.5843 2134.9977 1943.8302 113.8750 -206032.8993 17961.7190 0.0000 0.0000 34109.7562 -149042.1370 297.8890 -183151.8932 -148941.8155 299.2261 157.2864 187.0026 556327.2334 -21.0080 -20.8253 PRESSURE: 1942400 32.2471 -54.8813 19.266 -54.8813 69.4015 -105.494 19.2649 -105.495 -84.3551 GPRESSURE: 1942400 10.5919 -58.0958 -81.309 -48.834 113.976 -171.778 32.9303 -85.5423 -14.0268 PRESSAVG: 1942400 33.3048 -41.9025 -39.8152 -41.9024 -6.28291 2.956 -39.8151 2.95601 18.312 GPRESSAVG: 1942400 32.9794 -44.4109 -40.7598 -40.512 -5.35465 3.50838 -39.0682 0.877799 17.6526 TIMING: 1942400 CPU: 5631.45, 0.00286392/step Wall: 5631.45, 0.00286392/step, 2.43242 hours remaining, 209.855469 MB of memory in use. ENERGY: 1942400 727.5170 2097.0818 1948.3889 109.5019 -206170.7850 17819.5703 0.0000 0.0000 34323.7768 -149144.9483 299.7581 -183468.7251 -149046.8767 300.0686 5.7645 36.8472 557852.1919 15.1113 15.0924 PRESSURE: 1942600 -64.5568 -60.9645 88.9428 -60.9649 44.4373 -57.9699 88.9426 -57.9696 96.5776 GPRESSURE: 1942600 -42.0874 -84.2807 -4.96467 -7.23635 98.3473 -26.6765 181.323 -81.8326 119.537 PRESSAVG: 1942600 -57.399 -48.2859 -12.8442 -48.2858 40.0229 -41.3299 -12.8442 -41.3299 39.5003 GPRESSAVG: 1942600 -57.4053 -48.118 -12.973 -47.4519 39.5339 -40.2088 -11.7453 -38.4986 39.8472 TIMING: 1942600 CPU: 5632.02, 0.00286421/step Wall: 5632.02, 0.00286421/step, 2.43251 hours remaining, 209.855469 MB of memory in use. ENERGY: 1942600 754.0922 2097.0861 1952.9276 111.5138 -206427.2850 17878.4513 0.0000 0.0000 34339.8973 -149293.3167 299.8989 -183633.2140 -149191.2939 299.8687 25.4860 58.5991 556280.1219 7.3747 7.3253 PRESSURE: 1942800 -150.822 -131.971 128.536 -131.969 59.8428 149.312 128.537 149.313 -122.584 GPRESSURE: 1942800 -166.036 -58.5746 149.497 -249.72 68.3773 122.57 147.536 105.675 6.02895 PRESSAVG: 1942800 -72.4034 -6.61129 30.1789 -6.61119 -0.0421442 -37.1996 30.1789 -37.1995 45.6947 GPRESSAVG: 1942800 -73.4093 -4.5708 30.1253 -8.36784 0.721866 -36.595 30.8937 -39.8631 46.3854 TIMING: 1942800 CPU: 5632.6, 0.00289253/step Wall: 5632.6, 0.00289253/step, 2.4564 hours remaining, 209.855469 MB of memory in use. ENERGY: 1942800 743.4180 2095.5407 1970.7868 105.8703 -206428.6448 17705.2820 0.0000 0.0000 34475.9329 -149331.8142 301.0869 -183807.7471 -149230.6621 299.2409 -71.1880 -30.5434 557182.7084 -8.9170 -8.7673 PRESSURE: 1943000 282.26 54.671 43.7446 54.6719 -5.28282 -271.337 43.745 -271.338 -41.9374 GPRESSURE: 1943000 336.245 135.337 116.081 28.2892 37.4104 -215.123 -1.18313 -268.246 -33.1926 PRESSAVG: 1943000 7.52806 18.6337 4.59149 18.6336 25.2493 -32.0974 4.59143 -32.0975 13.338 GPRESSAVG: 1943000 9.13635 18.8815 5.5566 18.8617 25.0872 -32.5967 2.45619 -31.1453 12.6028 TIMING: 1943000 CPU: 5633.18, 0.00290754/step Wall: 5633.18, 0.00290754/step, 2.46898 hours remaining, 209.855469 MB of memory in use. ENERGY: 1943000 722.7864 2066.7121 1936.3371 102.2554 -206265.4113 17904.0307 0.0000 0.0000 34327.7754 -149205.5142 299.7930 -183533.2896 -149104.5861 299.4880 78.3466 113.4875 557204.7869 15.3718 15.6088 PRESSURE: 1943200 70.0391 73.0555 48.8436 73.0561 -9.28388 51.2969 48.8436 51.2958 222.47 GPRESSURE: 1943200 73.823 160.195 26.0532 71.2734 25.4122 20.5273 127.306 32.0586 277.299 PRESSAVG: 1943200 -11.1142 15.6334 3.87163 15.6334 -39.3771 -47.0291 3.87158 -47.0292 69.959 GPRESSAVG: 1943200 -11.1097 14.0662 3.33185 17.5562 -40.1502 -48.2728 5.29843 -46.5391 71.0043 TIMING: 1943200 CPU: 5633.76, 0.00290185/step Wall: 5633.76, 0.00290185/step, 2.46399 hours remaining, 209.855469 MB of memory in use. ENERGY: 1943200 755.2169 2073.7984 1956.0149 107.1542 -206546.1835 18103.3377 0.0000 0.0000 34438.1022 -149112.5592 300.7565 -183550.6613 -149019.7785 300.1752 94.4084 125.5113 558271.3256 6.4892 6.5815 PRESSURE: 1943400 -406.918 -145.159 -39.4691 -145.158 -95.4231 -46.1385 -39.4704 -46.1379 -396.696 GPRESSURE: 1943400 -348.416 -218.188 -72.0498 -71.9802 -81.3302 -10.2582 -36.141 -70.2824 -364.873 PRESSAVG: 1943400 23.0529 -59.5738 24.397 -59.5738 22.5911 -9.22549 24.397 -9.22547 2.08339 GPRESSAVG: 1943400 22.7211 -61.6629 24.0559 -60.0793 23.2722 -7.01466 24.4397 -10.9428 1.89039 TIMING: 1943400 CPU: 5634.34, 0.00290159/step Wall: 5634.34, 0.00290159/step, 2.46361 hours remaining, 209.855469 MB of memory in use. ENERGY: 1943400 774.4627 2083.3749 1963.2323 109.1915 -205703.0679 17321.0669 0.0000 0.0000 34220.5750 -149231.1646 298.8568 -183451.7397 -149130.1764 299.3340 -299.6790 -264.8729 557918.6754 15.9091 15.9612 PRESSURE: 1943600 38.5264 -20.2295 193.822 -20.2279 -204.461 88.0653 193.822 88.0647 78.745 GPRESSURE: 1943600 42.4142 -18.1426 256.868 -43.781 -161.785 138.959 134.536 2.39574 115.768 PRESSAVG: 1943600 12.8212 -24.5534 -2.41681 -24.5533 -51.494 10.2051 -2.41678 10.2051 49.8729 GPRESSAVG: 1943600 13.1768 -21.3974 -1.1273 -26.6404 -51.7959 9.59539 -3.8656 10.5272 50.0751 TIMING: 1943600 CPU: 5634.92, 0.00288139/step Wall: 5634.92, 0.00288139/step, 2.4463 hours remaining, 209.855469 MB of memory in use. ENERGY: 1943600 710.7574 2153.2117 1955.8245 122.0649 -205820.9193 17494.3873 0.0000 0.0000 34293.6731 -149091.0004 299.4952 -183384.6735 -148994.8079 299.4735 -29.0631 -1.2008 557990.4337 3.7334 3.8187 PRESSURE: 1943800 -67.4746 35.249 68.0922 35.2498 11.4971 -49.3371 68.0916 -49.3351 -123.692 GPRESSURE: 1943800 -32.91 73.1849 52.5637 90.6006 57.3985 -7.72552 53.5177 -83.3198 -104.385 PRESSAVG: 1943800 26.0418 -61.8274 -5.23982 -61.8273 -23.2428 -54.2242 -5.23982 -54.2243 1.45481 GPRESSAVG: 1943800 27.1449 -62.3626 -5.30637 -62.6643 -23.1425 -55.6759 -6.90637 -53.4012 0.743394 TIMING: 1943800 CPU: 5635.5, 0.00289106/step Wall: 5635.5, 0.00289106/step, 2.45435 hours remaining, 209.855469 MB of memory in use. ENERGY: 1943800 772.1078 2028.7719 1970.4722 126.9118 -205996.3864 17707.4494 0.0000 0.0000 34272.6267 -149118.0466 299.3114 -183390.6732 -149019.0155 299.7536 -59.8899 -26.6322 558325.6434 1.4179 1.5819 PRESSURE: 1944000 -58.8365 54.2949 52.7393 54.2959 214.354 30.8264 52.7389 30.8246 87.5505 GPRESSURE: 1944000 -0.620449 1.30377 -11.4866 -34.314 275.078 81.6688 142.455 -54.457 81.7261 PRESSAVG: 1944000 -57.0035 -65.1712 -12.9731 -65.1713 67.184 -31.5516 -12.973 -31.5515 -25.9437 GPRESSAVG: 1944000 -57.6725 -65.6291 -15.5464 -65.9263 67.4353 -30.3798 -11.6433 -32.9233 -25.2278 TIMING: 1944000 CPU: 5636.08, 0.00290317/step Wall: 5636.08, 0.00290317/step, 2.46447 hours remaining, 209.855469 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: 1944000 690.9189 2067.3454 1978.2635 121.5271 -206337.2701 17948.4774 0.0000 0.0000 34377.3543 -149153.3835 300.2260 -183530.7378 -149062.3732 299.8447 81.0225 118.7280 558694.8166 -5.2544 -5.1550 PRESSURE: 1944200 -67.2015 116.125 -186.68 116.125 -287.807 -10.8718 -186.679 -10.8713 -256.484 GPRESSURE: 1944200 -56.5743 127.861 -131.564 16.7119 -225.404 -41.8184 -192.157 116.906 -223.402 PRESSAVG: 1944200 -44.6744 -3.92307 -48.4181 -3.92307 28.4842 -22.482 -48.4182 -22.482 3.03526 GPRESSAVG: 1944200 -45.3889 -2.33076 -46.2291 -2.32573 29.1128 -22.5621 -45.5213 -22.6598 2.99014 TIMING: 1944200 CPU: 5636.66, 0.00289098/step Wall: 5636.66, 0.00289098/step, 2.45396 hours remaining, 209.855469 MB of memory in use. ENERGY: 1944200 794.2921 2102.3444 1971.2329 119.2280 -206313.8054 17748.0517 0.0000 0.0000 34324.8196 -149253.8367 299.7672 -183578.6563 -149156.7524 299.4799 -203.8306 -168.4598 558492.3608 -4.3850 -4.4287 LDB: ============= START OF LOAD BALANCING ============== 5640.04 LDB: ============== END OF LOAD BALANCING =============== 5640.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5640.04 LDB: ============= START OF LOAD BALANCING ============== 5640.33 LDB: Largest compute 4820 load 0.024159 is 20.5% of average load 0.118029 LDB: Average compute 0.001730 is 1.5% of average load 0.118029 LDB: TIME 5640.33 LOAD: AVG 0.118029 MAX 0.178806 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.383 MB LDB: TIME 5640.33 LOAD: AVG 0.118029 MAX 0.178806 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.582 MB LDB: TIME 5640.33 LOAD: AVG 0.118029 MAX 0.178806 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5640.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5640.34 PRESSURE: 1944400 -224.377 20.7854 84.1246 20.7851 -54.9837 -35.0618 84.1252 -35.0624 13.3103 GPRESSURE: 1944400 -170.318 -25.0816 93.4231 33.0191 -36.7421 -22.8152 47.2061 0.517154 45.27 PRESSAVG: 1944400 45.5878 -22.0935 -22.0568 -22.0935 19.0769 -3.83519 -22.0568 -3.83528 -104.991 GPRESSAVG: 1944400 45.0635 -24.381 -26.2223 -20.4648 18.7743 -3.52495 -21.1449 -2.84731 -104.549 TIMING: 1944400 CPU: 5637.24, 0.0029279/step Wall: 5637.24, 0.0029279/step, 2.48514 hours remaining, 209.398438 MB of memory in use. ENERGY: 1944400 760.5099 2097.2258 1945.8564 109.7863 -205926.3109 17544.1521 0.0000 0.0000 34205.9458 -149262.8345 298.7290 -183468.7804 -149166.1899 298.7133 -88.6835 -53.9300 557623.8819 -13.4419 -13.5705 PRESSURE: 1944600 -155.439 56.5039 22.5399 56.5033 -295.351 -19.9749 22.5408 -19.9755 -119.673 GPRESSURE: 1944600 -173.741 73.038 53.4021 45.6008 -254.214 3.80192 8.58234 -24.6784 -52.8058 PRESSAVG: 1944600 11.6102 12.6405 -69.0329 12.6405 25.2004 12.2237 -69.0329 12.2236 -8.45656 GPRESSAVG: 1944600 12.4368 12.1481 -65.9303 11.5193 24.4804 13.9517 -70.1003 12.1883 -8.34585 TIMING: 1944600 CPU: 5637.82, 0.00288131/step Wall: 5637.82, 0.00288131/step, 2.44543 hours remaining, 209.468750 MB of memory in use. ENERGY: 1944600 747.0530 2085.1032 1977.1726 120.3243 -206152.1086 17529.4741 0.0000 0.0000 34306.8039 -149386.1775 299.6099 -183692.9814 -149283.1066 298.9140 -190.1543 -160.2536 556734.9458 9.4514 9.5238 PRESSURE: 1944800 -251.967 -96.5689 26.7866 -96.5697 233.244 11.9915 26.787 11.9917 -240.565 GPRESSURE: 1944800 -263.857 -184.739 86.3424 1.27163 302.73 -26.5647 -19.4378 -13.589 -188.374 PRESSAVG: 1944800 -50.336 28.7368 -29.5986 28.7369 1.25036 -39.6411 -29.5986 -39.6411 -7.62127 GPRESSAVG: 1944800 -50.2478 29.0038 -27.2776 30.7428 1.88031 -42.0892 -32.0337 -38.6138 -7.91188 TIMING: 1944800 CPU: 5638.39, 0.00287861/step Wall: 5638.39, 0.00287861/step, 2.44298 hours remaining, 209.468750 MB of memory in use. ENERGY: 1944800 746.7311 2143.6800 1953.1119 93.7246 -206070.8928 17714.7240 0.0000 0.0000 34167.7036 -149251.2176 298.3951 -183418.9211 -149152.1962 299.2815 -86.4295 -49.8335 558198.3224 -18.9023 -18.7598 PRESSURE: 1945000 10.2516 -7.98983 -140.959 -7.98958 52.2543 -187.975 -140.958 -187.976 89.8438 GPRESSURE: 1945000 48.0193 7.93113 -112.968 17.0952 25.9038 -214.971 -87.1638 -98.0599 176.824 PRESSAVG: 1945000 -72.688 22.9985 -17.9964 22.9985 63.5005 -37.4232 -17.9963 -37.4231 11.2169 GPRESSAVG: 1945000 -72.8824 22.9448 -20.457 20.9848 62.9854 -35.7404 -16.0968 -39.2462 11.4339 TIMING: 1945000 CPU: 5638.97, 0.00288463/step Wall: 5638.97, 0.00288463/step, 2.44793 hours remaining, 209.468750 MB of memory in use. ENERGY: 1945000 750.4651 2090.8707 1952.0691 110.2161 -205696.0007 17600.2455 0.0000 0.0000 34219.4927 -148972.6415 298.8473 -183192.1342 -148880.9519 299.7303 50.7832 83.5826 555935.4167 0.6764 0.5123 PRESSURE: 1945200 -109.303 53.7967 -16.5771 53.7955 -48.9068 98.1354 -16.577 98.1355 188.314 GPRESSURE: 1945200 -53.4084 -38.1054 -64.2672 71.506 -47.6296 110.488 -21.3105 18.9809 228.632 PRESSAVG: 1945200 -3.18188 11.7783 10.5342 11.7783 -59.6083 -1.85752 10.5342 -1.85756 28.7059 GPRESSAVG: 1945200 -3.22728 11.8095 11.3219 13.4294 -59.4728 -3.00102 8.03227 -1.70981 28.8514 TIMING: 1945200 CPU: 5639.55, 0.00289479/step Wall: 5639.55, 0.00289479/step, 2.45639 hours remaining, 209.468750 MB of memory in use. ENERGY: 1945200 752.4032 2073.5250 1920.8109 114.3566 -206044.3554 17680.9576 0.0000 0.0000 34413.2462 -149089.0560 300.5394 -183502.3022 -148991.0570 300.1810 10.0347 42.5314 556600.1716 -11.3614 -11.2829 PRESSURE: 1945400 -5.83639 135.226 -54.2694 135.227 37.7827 -118.348 -54.2696 -118.349 -170.987 GPRESSURE: 1945400 24.0009 108.777 -107.559 117.298 80.0957 -178.378 4.65 -119.077 -136.425 PRESSAVG: 1945400 -18.543 33.0535 -51.3212 33.0534 -11.2549 36.4164 -51.3212 36.4163 49.6587 GPRESSAVG: 1945400 -18.2648 33.5175 -53.6896 30.4517 -11.4393 38.6067 -50.0253 38.0826 49.1568 TIMING: 1945400 CPU: 5640.13, 0.0028978/step Wall: 5640.13, 0.0028978/step, 2.45879 hours remaining, 209.468750 MB of memory in use. ENERGY: 1945400 791.1170 2078.0314 1963.1396 108.6305 -205871.0893 17677.4267 0.0000 0.0000 34190.9566 -149061.7874 298.5981 -183252.7440 -148962.5753 300.2690 -46.3469 -10.7761 555648.3103 6.6203 6.4842 PRESSURE: 1945600 -272.924 -93.3048 68.2523 -93.3051 -242.85 -99.6794 68.2515 -99.6813 -439.059 GPRESSURE: 1945600 -220.274 -57.3821 60.3486 -186.018 -196.772 -46.5864 -52.8805 -101.001 -446.147 PRESSAVG: 1945600 53.0064 11.6492 2.04102 11.6492 -5.47733 37.5665 2.04117 37.5665 -27.5735 GPRESSAVG: 1945600 53.4584 12.44 4.28396 11.2346 -5.60092 37.3184 3.09362 34.813 -27.8504 TIMING: 1945600 CPU: 5640.71, 0.00289187/step Wall: 5640.71, 0.00289187/step, 2.45359 hours remaining, 209.468750 MB of memory in use. ENERGY: 1945600 790.1945 2088.5788 1943.8442 124.8881 -205498.3039 17270.8399 0.0000 0.0000 34120.3513 -149159.6072 297.9815 -183279.9585 -149062.8594 299.8657 -318.2778 -287.7309 558067.4828 6.6519 6.6690 PRESSURE: 1945800 -57.4168 24.3596 -50.7803 24.3592 209.48 -112.26 -50.7806 -112.261 110.065 GPRESSURE: 1945800 -17.3938 22.1325 -107.461 3.82443 200.125 -114.198 -43.87 -68.3375 169.563 PRESSAVG: 1945800 -37.7554 -31.1167 -26.607 -31.1168 20.1175 19.887 -26.607 19.887 -25.692 GPRESSAVG: 1945800 -37.8415 -31.6088 -26.5765 -30.712 20.8846 20.0713 -27.3104 19.655 -25.9564 TIMING: 1945800 CPU: 5641.28, 0.00287501/step Wall: 5641.28, 0.00287501/step, 2.43913 hours remaining, 209.468750 MB of memory in use. ENERGY: 1945800 762.4263 2088.6309 1966.2484 113.5450 -206403.5026 18021.1524 0.0000 0.0000 34345.7734 -149105.7262 299.9502 -183451.4996 -149011.3281 300.1955 87.3761 117.4315 557423.4317 -14.4433 -14.3044 PRESSURE: 1946000 -168.014 -27.2844 -130.509 -27.2829 -198.477 31.3544 -130.509 31.3536 -128.498 GPRESSURE: 1946000 -163.64 -96.2282 -44.5843 -40.7259 -106.515 101.093 -141.496 2.98211 -122.901 PRESSAVG: 1946000 31.7981 -41.0763 -8.80477 -41.0763 -44.4844 9.65448 -8.80482 9.65444 38.5986 GPRESSAVG: 1946000 32.3942 -41.3657 -8.71949 -40.8272 -45.2442 8.20075 -10.6609 9.63323 39.1218 TIMING: 1946000 CPU: 5641.86, 0.00289522/step Wall: 5641.86, 0.00289522/step, 2.45611 hours remaining, 209.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1946000 732.5207 2080.3694 1941.9659 118.1698 -205895.0776 17646.7956 0.0000 0.0000 34219.2776 -149155.9786 298.8455 -183375.2562 -149059.0265 299.8179 -164.9961 -131.0187 559757.9535 8.6375 8.7572 PRESSURE: 1946200 39.3585 -59.2791 54.8656 -59.2801 -245.729 66.4651 54.8666 66.4663 -237.3 GPRESSURE: 1946200 46.3669 -92.0261 29.6929 -89.6765 -203.53 43.2335 41.3207 -30.7679 -199.689 PRESSAVG: 1946200 10.4189 15.6364 -9.01495 15.6364 -45.8301 -0.49924 -9.01487 -0.499069 49.1021 GPRESSAVG: 1946200 9.49413 14.8704 -10.4171 16.7426 -44.9563 0.899522 -5.85738 -0.660687 49.3923 TIMING: 1946200 CPU: 5642.44, 0.0029123/step Wall: 5642.44, 0.0029123/step, 2.47044 hours remaining, 209.468750 MB of memory in use. ENERGY: 1946200 759.6489 2085.3810 1935.9845 113.4448 -206306.6501 17705.6078 0.0000 0.0000 34470.0976 -149236.4856 301.0359 -183706.5832 -149140.6122 299.8934 -147.8902 -118.9507 558626.4087 4.5636 4.6434 PRESSURE: 1946400 4.14967 -4.05159 -43.4745 -4.05032 -176.557 -50.125 -43.4746 -50.1246 94.7788 GPRESSURE: 1946400 25.9342 2.49248 35.26 20.57 -138.123 -87.5692 -110.028 -25.2254 114.99 PRESSAVG: 1946400 19.109 -52.6404 20.9898 -52.6405 -76.9386 -73.2982 20.9898 -73.2982 -3.96059 GPRESSAVG: 1946400 19.4282 -50.9439 24.6875 -53.7536 -76.8106 -74.4169 19.3261 -71.7995 -4.74253 TIMING: 1946400 CPU: 5643.02, 0.00289029/step Wall: 5643.02, 0.00289029/step, 2.45161 hours remaining, 209.468750 MB of memory in use. ENERGY: 1946400 733.7573 2090.0012 1935.8809 122.4084 -206319.7328 17686.4505 0.0000 0.0000 34569.5852 -149181.6494 301.9048 -183751.2346 -149077.7495 299.5566 -25.8762 0.9337 558053.7238 -20.5967 -20.7083 PRESSURE: 1946600 -36.198 109.349 2.56605 109.35 -102.661 -160.25 2.56569 -160.253 -177.056 GPRESSURE: 1946600 31.6955 24.3481 -57.0503 115.384 -61.1056 -195.863 29.5439 -132.803 -193.922 PRESSAVG: 1946600 17.1738 63.599 20.2539 63.5991 -31.3709 -14.655 20.2538 -14.6551 31.3478 GPRESSAVG: 1946600 16.8859 63.2748 17.2187 64.463 -31.9596 -15.4199 22.1698 -13.2445 31.6117 TIMING: 1946600 CPU: 5643.6, 0.00291135/step Wall: 5643.6, 0.00291135/step, 2.46931 hours remaining, 209.468750 MB of memory in use. ENERGY: 1946600 769.0376 2081.0898 1962.5170 115.5469 -206293.5548 17775.5473 0.0000 0.0000 34447.2302 -149142.5860 300.8362 -183589.8162 -149038.0434 299.4550 -105.3052 -74.4439 558395.1323 5.7169 5.5127 PRESSURE: 1946800 -161.554 22.0139 178.153 22.0142 -113.811 99.176 178.153 99.1758 46.8088 GPRESSURE: 1946800 -155.045 19.6278 175.258 -60.6397 -68.1267 130.273 173.266 119.982 73.5973 PRESSAVG: 1946800 2.44388 88.2476 6.19146 88.2475 -14.4017 -20.201 6.19149 -20.2011 15.1572 GPRESSAVG: 1946800 2.43974 88.8185 6.95219 86.5721 -14.9342 -19.0478 4.8135 -22.8382 15.5554 TIMING: 1946800 CPU: 5644.19, 0.00293445/step Wall: 5644.19, 0.00293445/step, 2.48874 hours remaining, 209.468750 MB of memory in use. ENERGY: 1946800 754.9834 2131.8912 1947.3068 125.4696 -205935.1374 17764.0658 0.0000 0.0000 34073.0125 -149138.4082 297.5681 -183211.4206 -149039.9587 298.8842 -76.1855 -49.8580 558292.7446 1.0665 1.0203 PRESSURE: 1947000 -70.583 201.471 24.0429 201.47 -29.3965 19.1944 24.0429 19.1945 8.42723 GPRESSURE: 1947000 -89.5137 212.304 36.8404 183.417 26.9024 15.7101 42.2954 4.46532 74.4582 PRESSAVG: 1947000 -13.5508 65.8597 59.9668 65.8596 17.5993 14.8485 59.9668 14.8485 14.1418 GPRESSAVG: 1947000 -14.9302 62.6485 62.4589 66.072 18.983 15.6353 60.316 15.3937 14.2716 TIMING: 1947000 CPU: 5644.77, 0.00290413/step Wall: 5644.77, 0.00290413/step, 2.46286 hours remaining, 209.468750 MB of memory in use. ENERGY: 1947000 772.5886 2114.1839 1941.1482 111.8427 -206175.5365 17611.0219 0.0000 0.0000 34189.4133 -149435.3380 298.5846 -183624.7512 -149339.1257 298.6275 -30.5174 3.9490 557505.1218 6.0634 6.1082 PRESSURE: 1947200 -81.0778 -46.7815 -37.0359 -46.7816 160.691 -117.678 -37.0366 -117.677 170.025 GPRESSURE: 1947200 -33.1043 -15.4516 -13.9058 -8.32109 201.984 -241.182 -105.49 -65.441 194.461 PRESSAVG: 1947200 -117.681 15.0648 24.8764 15.0648 57.0589 -14.6366 24.8763 -14.6366 64.5335 GPRESSAVG: 1947200 -115.548 18.1843 23.1244 14.1051 56.6993 -16.8987 23.4221 -14.5862 62.8287 TIMING: 1947200 CPU: 5645.36, 0.0029332/step Wall: 5645.36, 0.0029332/step, 2.48736 hours remaining, 209.468750 MB of memory in use. ENERGY: 1947200 743.0724 2116.7259 1942.6205 107.7663 -206347.7278 17921.1906 0.0000 0.0000 34204.6733 -149311.6788 298.7179 -183516.3521 -149213.6381 299.1719 83.2128 121.1135 557517.9401 1.3037 1.3267 PRESSURE: 1947400 159.736 -26.4148 66.5515 -26.4151 -256.816 59.9923 66.5518 59.9902 -66.9872 GPRESSURE: 1947400 135.769 -120.73 125.441 -0.94681 -152.276 20.6962 -11.215 103.114 -57.5805 PRESSAVG: 1947400 7.12793 3.93068 24.0938 3.93074 35.6003 -42.7921 24.0937 -42.7922 14.4162 GPRESSAVG: 1947400 6.11652 2.65181 25.4651 6.216 34.7922 -39.8242 25.9226 -42.7208 16.2286 TIMING: 1947400 CPU: 5645.94, 0.00291074/step Wall: 5645.94, 0.00291074/step, 2.46815 hours remaining, 209.671875 MB of memory in use. ENERGY: 1947400 751.6184 2132.3037 1933.2586 115.3953 -206417.0025 17795.0203 0.0000 0.0000 34041.0763 -149648.3299 297.2892 -183689.4061 -149555.4489 298.1334 -54.6891 -24.6957 556285.4975 19.0482 19.0458 PRESSURE: 1947600 -159.242 -21.8822 -29.4496 -21.8829 -134.989 15.1946 -29.4481 15.1947 -242.322 GPRESSURE: 1947600 -163.848 -72.1166 -55.5661 -60.3033 -104.3 18.192 -35.3408 31.4802 -165.785 PRESSAVG: 1947600 -1.874 -54.1608 30.8266 -54.1608 26.1499 10.6061 30.8266 10.6061 -10.6542 GPRESSAVG: 1947600 -3.05388 -54.9694 30.8063 -53.9989 26.2247 9.94327 30.6949 10.4393 -9.94149 TIMING: 1947600 CPU: 5646.53, 0.00292639/step Wall: 5646.53, 0.00292639/step, 2.48126 hours remaining, 209.671875 MB of memory in use. ENERGY: 1947600 764.0851 2049.6893 1901.7158 103.0047 -206091.5736 17607.4955 0.0000 0.0000 34228.5578 -149437.0253 298.9265 -183665.5831 -149348.6506 297.9170 -178.8508 -144.6442 558803.2564 4.5406 4.4098 PRESSURE: 1947800 -121.703 29.4273 -163.808 29.4265 25.2016 -55.4682 -163.808 -55.4673 131.691 GPRESSURE: 1947800 -95.2009 -47.2121 -218.28 66.4702 92.6893 43.8395 -42.3042 -95.0979 135.911 PRESSAVG: 1947800 -63.707 39.0857 -56.235 39.0855 4.76487 -12.9032 -56.2352 -12.9033 83.5542 GPRESSAVG: 1947800 -62.6586 41.218 -58.6123 38.059 5.30791 -13.2996 -56.9683 -13.0303 81.6149 TIMING: 1947800 CPU: 5647.11, 0.00292374/step Wall: 5647.11, 0.00292374/step, 2.47884 hours remaining, 209.671875 MB of memory in use. ENERGY: 1947800 723.4048 2090.2253 1939.0327 109.7910 -206542.0666 17961.1457 0.0000 0.0000 34129.9671 -149588.5000 298.0655 -183718.4671 -149493.5608 298.3458 11.7297 44.4665 558300.3900 8.2040 8.0881 PRESSURE: 1948000 63.9444 -101.987 103.901 -101.986 338.325 -123.571 103.9 -123.572 61.3793 GPRESSURE: 1948000 68.4689 -54.1424 136.51 -117.558 393.489 -185.051 56.6264 -34.8155 89.1429 PRESSAVG: 1948000 -15.2748 -18.5938 23.6883 -18.5938 50.1728 83.5294 23.6883 83.5295 2.53058 GPRESSAVG: 1948000 -15.0764 -16.9807 24.6063 -20.8375 49.2998 84.5461 23.2249 83.3057 2.85659 TIMING: 1948000 CPU: 5647.69, 0.00290132/step Wall: 5647.69, 0.00290132/step, 2.45968 hours remaining, 209.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1948000 783.0218 2034.6363 1947.6652 110.3946 -206614.7724 18086.1030 0.0000 0.0000 34255.2581 -149397.6934 299.1597 -183652.9515 -149295.9084 298.3577 154.5496 183.7003 557065.7978 12.4762 12.3600 PRESSURE: 1948200 27.7483 -228.772 -14.5284 -228.771 -29.5136 -149.421 -14.5282 -149.421 207.476 GPRESSURE: 1948200 87.9133 -137.169 -125.029 -313.894 11.2606 -158.359 67.1454 -186.727 203.196 PRESSAVG: 1948200 63.5401 -49.0381 -16.5159 -49.0381 16.3414 -33.8988 -16.5159 -33.8989 -56.5925 GPRESSAVG: 1948200 63.6173 -51.3547 -17.0404 -48.5997 16.9366 -35.2436 -17.2848 -31.8421 -57.4558 TIMING: 1948200 CPU: 5648.27, 0.00290219/step Wall: 5648.27, 0.00290219/step, 2.46025 hours remaining, 209.671875 MB of memory in use. ENERGY: 1948200 749.7137 2108.5453 1922.9880 115.1807 -206016.2024 17894.6447 0.0000 0.0000 33871.1314 -149353.9985 295.8050 -183225.1299 -149260.3958 298.6130 68.5704 100.7901 558187.6649 7.7630 7.6993 LDB: ============= START OF LOAD BALANCING ============== 5651.66 LDB: ============== END OF LOAD BALANCING =============== 5651.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5651.66 LDB: ============= START OF LOAD BALANCING ============== 5651.95 LDB: Largest compute 4820 load 0.024371 is 20.7% of average load 0.117950 LDB: Average compute 0.001733 is 1.5% of average load 0.117950 LDB: TIME 5651.96 LOAD: AVG 0.11795 MAX 0.180692 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.203 MB LDB: TIME 5651.96 LOAD: AVG 0.11795 MAX 0.180692 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.203 MB LDB: TIME 5651.96 LOAD: AVG 0.11795 MAX 0.180692 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.203 MB LDB: ============== END OF LOAD BALANCING =============== 5651.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5651.96 PRESSURE: 1948400 -73.4437 -104.065 127.62 -104.065 -52.4203 23.0836 127.62 23.084 23.6693 GPRESSURE: 1948400 -45.1957 -131.167 174.061 -50.8819 -13.9402 165.81 90.6928 -68.0714 45.9576 PRESSAVG: 1948400 -9.40303 -1.16168 -1.0426 -1.16168 -37.6547 23.975 -1.0426 23.975 59.5387 GPRESSAVG: 1948400 -10.7201 -2.3574 -1.59179 0.363821 -37.8811 22.5879 0.133939 21.1658 61.3875 TIMING: 1948400 CPU: 5648.87, 0.00297726/step Wall: 5648.87, 0.00297726/step, 2.52373 hours remaining, 209.351562 MB of memory in use. ENERGY: 1948400 756.1405 2058.2182 1956.2410 106.3517 -206089.0526 17795.5137 0.0000 0.0000 34116.3429 -149300.2446 297.9465 -183416.5875 -149202.5948 298.5463 -34.0649 -4.3928 557940.3833 4.1603 4.2621 PRESSURE: 1948600 -119.395 -141.649 39.5356 -141.65 -48.6907 93.2328 39.5357 93.2315 -119.089 GPRESSURE: 1948600 -16.0122 -103.6 28.0465 -58.8663 -53.8645 92.088 -8.82754 118.407 -117.777 PRESSAVG: 1948600 -4.52247 -53.5119 -25.9589 -53.5119 16.336 11.9173 -25.9591 11.9172 -17.3046 GPRESSAVG: 1948600 -3.67039 -53.159 -25.4626 -52.0477 16.4598 12.6743 -25.6315 13.8127 -18.5509 TIMING: 1948600 CPU: 5649.45, 0.0029094/step Wall: 5649.45, 0.0029094/step, 2.46604 hours remaining, 209.351562 MB of memory in use. ENERGY: 1948600 748.8307 2101.5276 1928.1463 118.8246 -205973.5684 17749.9688 0.0000 0.0000 34202.8608 -149123.4096 298.7021 -183326.2704 -149027.0897 298.9650 -95.7248 -62.5511 557920.6282 -1.8304 -1.9205 PRESSURE: 1948800 -32.6705 48.2659 45.8555 48.2655 -208.148 5.4017 45.8563 5.40282 -317.591 GPRESSURE: 1948800 -61.4902 -5.1214 58.7335 -6.8864 -152.066 -7.91885 28.8902 26.7595 -241.744 PRESSAVG: 1948800 34.0246 -33.2188 11.0995 -33.2187 -96.0012 27.5436 11.0995 27.5436 7.25169 GPRESSAVG: 1948800 33.7135 -34.4801 11.7742 -36.0948 -95.6587 30.9415 9.12027 24.7747 7.37671 TIMING: 1948800 CPU: 5650.03, 0.00289562/step Wall: 5650.03, 0.00289562/step, 2.4542 hours remaining, 209.351562 MB of memory in use. ENERGY: 1948800 771.2775 2037.2029 1959.5763 116.7496 -205743.9983 17539.0408 0.0000 0.0000 34244.2725 -149075.8786 299.0637 -183320.1511 -148982.6804 298.8645 -186.1365 -151.7667 557797.0083 -18.2416 -18.1895 PRESSURE: 1949000 -28.5065 -61.0685 43.8413 -61.0686 -1.79818 32.7475 43.8417 32.7482 -39.3725 GPRESSURE: 1949000 -28.9618 -93.9555 -31.6913 -49.0833 54.0018 86.2811 104.649 38.2157 1.98548 PRESSAVG: 1949000 -19.0938 7.58637 15.2792 7.58644 31.1955 -16.0538 15.2792 -16.0538 -37.7525 GPRESSAVG: 1949000 -19.0891 9.9034 16.4508 8.95245 30.5032 -18.2509 14.8593 -13.4191 -36.8057 TIMING: 1949000 CPU: 5650.6, 0.00287197/step Wall: 5650.6, 0.00287197/step, 2.434 hours remaining, 209.582031 MB of memory in use. ENERGY: 1949000 720.9586 2093.2196 1974.0219 109.2005 -205921.7813 17794.8336 0.0000 0.0000 34173.5866 -149055.9605 298.4464 -183229.5471 -148952.4224 299.7681 -23.2257 9.0085 559879.1943 -8.5503 -8.4639 PRESSURE: 1949200 -203.407 13.5238 49.7776 13.5244 21.5398 -80.5425 49.7777 -80.543 -86.4354 GPRESSURE: 1949200 -154.876 60.2327 -5.69125 77.8848 -2.02638 -152.51 184.955 -56.1839 -18.279 PRESSAVG: 1949200 -60.3501 8.00976 32.1635 8.00978 15.0235 4.53983 32.1635 4.53994 51.9238 GPRESSAVG: 1949200 -60.7853 8.33553 30.918 7.97412 15.4893 2.9291 33.6571 3.03425 52.0755 TIMING: 1949200 CPU: 5651.18, 0.00286951/step Wall: 5651.18, 0.00286951/step, 2.43175 hours remaining, 209.582031 MB of memory in use. ENERGY: 1949200 739.2932 2130.2211 1957.9016 95.0155 -205839.0965 17678.9238 0.0000 0.0000 34186.9582 -149050.7830 298.5632 -183237.7412 -148955.0983 299.2311 -89.4342 -58.3937 559433.9266 2.1991 2.2598 PRESSURE: 1949400 -48.6443 92.2938 24.4574 92.2928 42.6657 82.9575 24.4576 82.9583 -35.15 GPRESSURE: 1949400 19.1901 137.06 37.8282 -10.4716 63.5006 57.4483 82.2313 33.3074 -22.4531 PRESSAVG: 1949400 -38.1172 -17.4799 3.19615 -17.4799 18.4366 -81.2722 3.19616 -81.2723 57.5505 GPRESSAVG: 1949400 -37.2228 -16.1682 4.15304 -18.7018 17.6232 -79.5334 1.18055 -80.8345 57.1071 TIMING: 1949400 CPU: 5651.76, 0.00290086/step Wall: 5651.76, 0.00290086/step, 2.45815 hours remaining, 209.582031 MB of memory in use. ENERGY: 1949400 735.0826 2053.7527 1970.8649 114.2355 -205807.3515 17724.3325 0.0000 0.0000 34220.4386 -148988.6447 298.8556 -183209.0832 -148897.3930 299.8287 -13.7095 20.0792 558786.6227 12.6233 12.5025 PRESSURE: 1949600 -108.859 -108.283 6.76137 -108.281 118.553 -146.476 6.76122 -146.476 160.131 GPRESSURE: 1949600 -48.5668 -216.204 32.1948 -41.8292 147.553 -82.3164 75.2566 -149.684 168.511 PRESSAVG: 1949600 -30.7358 32.3903 39.4988 32.3903 3.56086 -54.1717 39.4989 -54.1719 10.144 GPRESSAVG: 1949600 -31.8449 29.4851 37.2736 33.6739 5.87236 -53.5207 42.5845 -54.4312 9.06851 TIMING: 1949600 CPU: 5652.34, 0.002895/step Wall: 5652.34, 0.002895/step, 2.45303 hours remaining, 209.582031 MB of memory in use. ENERGY: 1949600 775.8265 2132.9635 1953.1603 107.1951 -206365.3457 17994.9556 0.0000 0.0000 34373.8139 -149027.4307 300.1951 -183401.2446 -148933.1512 299.0694 56.6081 89.1656 558915.9311 -5.6770 -5.6347 PRESSURE: 1949800 -105.119 235.449 32.6907 235.45 32.5239 -23.3004 32.6904 -23.2985 74.9237 GPRESSURE: 1949800 -99.9481 180.341 101.436 294.992 92.3353 -2.10844 -37.5228 60.646 116.058 PRESSAVG: 1949800 55.72 16.9962 40.2498 16.9963 -19.1673 -62.9967 40.2497 -62.9967 26.6046 GPRESSAVG: 1949800 55.9126 15.7066 41.8868 16.209 -20.0426 -64.6888 39.6983 -61.9252 26.8082 TIMING: 1949800 CPU: 5652.91, 0.00288201/step Wall: 5652.91, 0.00288201/step, 2.44186 hours remaining, 209.582031 MB of memory in use. ENERGY: 1949800 742.2521 2097.2822 1951.4729 122.7201 -205947.2242 17741.4648 0.0000 0.0000 34220.4908 -149071.5413 298.8561 -183292.0320 -148973.9497 299.1411 0.7762 36.1484 558518.6296 21.0524 20.8928 PRESSURE: 1950000 -45.7774 82.5763 41.9787 82.5745 -24.5437 11.1115 41.9786 11.1124 58.3106 GPRESSURE: 1950000 -39.1765 101.865 33.4028 68.4421 -3.8122 0.317895 61.9255 -31.3596 129.205 PRESSAVG: 1950000 9.79462 11.1444 20.8722 11.1443 18.95 -27.974 20.8722 -27.974 -44.1607 GPRESSAVG: 1950000 10.4651 13.9895 22.0825 10.9559 17.8578 -27.0989 20.2906 -28.7764 -43.3339 TIMING: 1950000 CPU: 5653.49, 0.00288922/step Wall: 5653.49, 0.00288922/step, 2.44781 hours remaining, 209.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1950000 746.5560 2204.9766 1930.0778 114.0293 -206101.7101 17728.8590 0.0000 0.0000 34215.9444 -149161.2670 298.8164 -183377.2114 -149062.6213 300.3250 -4.0035 28.7386 556885.7119 -5.1387 -5.0036 PRESSURE: 1950200 14.2596 -79.4658 -157.18 -79.4664 7.83498 -133.619 -157.181 -133.62 25.6378 GPRESSURE: 1950200 62.6196 -52.8798 -185.046 -30.4058 45.7187 -141.274 -151.882 -132.319 37.6525 PRESSAVG: 1950200 26.9781 25.5903 -13.969 25.5903 -11.2017 -27.9663 -13.969 -27.9662 -0.865246 GPRESSAVG: 1950200 26.2167 25.3212 -16.4014 25.4317 -10.594 -30.1823 -12.5624 -25.5356 -1.38305 TIMING: 1950200 CPU: 5654.07, 0.00289125/step Wall: 5654.07, 0.00289125/step, 2.44937 hours remaining, 209.582031 MB of memory in use. ENERGY: 1950200 753.9227 2157.0462 1956.2292 121.3950 -206376.9223 17824.0366 0.0000 0.0000 34272.6460 -149291.6467 299.3115 -183564.2927 -149193.4240 298.6849 15.9108 48.6636 556354.8642 4.9704 4.7465 PRESSURE: 1950400 -324.853 138.116 -103.697 138.118 184.106 72.9579 -103.698 72.9587 -267.764 GPRESSURE: 1950400 -306.896 106.022 -147.232 189.64 180.3 56.167 -93.4479 36.5165 -191.012 PRESSAVG: 1950400 -25.3389 50.9912 -6.77844 50.9911 -39.3771 20.9411 -6.77839 20.9409 71.2619 GPRESSAVG: 1950400 -24.4507 51.2289 -5.33368 52.1356 -40.3449 20.6247 -9.07697 19.0704 71.3398 TIMING: 1950400 CPU: 5654.65, 0.00289219/step Wall: 5654.65, 0.00289219/step, 2.45001 hours remaining, 209.582031 MB of memory in use. ENERGY: 1950400 768.4426 2135.0897 1929.8002 102.6011 -206129.6330 17544.2811 0.0000 0.0000 34464.2683 -149185.1500 300.9850 -183649.4183 -149087.6737 299.5293 -136.1703 -105.8693 556773.9050 2.1820 2.1814 PRESSURE: 1950600 -89.5166 36.9703 145.963 36.9702 -475.928 202.109 145.963 202.109 -261.347 GPRESSURE: 1950600 -66.8943 89.1808 194.565 -20.5595 -441.052 162.201 131.75 279.541 -218.924 PRESSAVG: 1950600 -44.8531 82.8323 3.99115 82.8324 3.77354 -10.8463 3.99111 -10.8462 30.9459 GPRESSAVG: 1950600 -45.8542 82.7718 2.79742 80.3358 5.71218 -11.3847 6.54547 -12.0469 29.781 TIMING: 1950600 CPU: 5655.22, 0.00287159/step Wall: 5655.22, 0.00287159/step, 2.4324 hours remaining, 209.582031 MB of memory in use. ENERGY: 1950600 775.8563 2137.3108 1954.7558 116.6278 -205681.8736 17324.3435 0.0000 0.0000 34267.6399 -149105.3394 299.2678 -183372.9793 -149011.7210 299.7708 -275.5971 -242.2900 558391.9489 -3.3779 -3.4537 PRESSURE: 1950800 -5.11362 -2.60955 76.8591 -2.60909 112.282 15.4619 76.859 15.4622 141.497 GPRESSURE: 1950800 49.0452 -43.2518 8.86269 40.4794 126.953 -12.2248 81.7268 -88.4686 166.285 PRESSAVG: 1950800 -40.286 24.857 19.1985 24.857 -7.92239 -19.3465 19.1985 -19.3465 45.5298 GPRESSAVG: 1950800 -40.4126 25.6681 18.8165 27.0288 -8.67841 -16.4445 19.6397 -19.2427 46.2494 TIMING: 1950800 CPU: 5655.8, 0.00288226/step Wall: 5655.8, 0.00288226/step, 2.44128 hours remaining, 209.582031 MB of memory in use. ENERGY: 1950800 738.5240 2142.2656 1927.5590 117.4695 -206381.9816 18035.7379 0.0000 0.0000 34457.8840 -148962.5415 300.9293 -183420.4256 -148866.0347 299.5766 82.8885 114.0944 558441.4463 -0.8929 -0.9472 PRESSURE: 1951000 -113.81 30.8088 -5.916 30.8097 -239.906 -35.4367 -5.91687 -35.4366 221.788 GPRESSURE: 1951000 -50.1298 86.4147 60.8793 -6.3692 -212.922 -44.7089 -8.05297 -58.385 221.939 PRESSAVG: 1951000 0.567864 8.15705 -11.1515 8.15702 -20.7725 22.9887 -11.1515 22.9887 28.1773 GPRESSAVG: 1951000 0.198953 9.18892 -11.1296 5.90741 -19.9864 21.3775 -12.08 23.1576 27.5097 TIMING: 1951000 CPU: 5656.37, 0.0028769/step Wall: 5656.37, 0.0028769/step, 2.43658 hours remaining, 209.582031 MB of memory in use. ENERGY: 1951000 721.5254 2176.9715 1973.5130 110.2184 -205776.6650 17602.7395 0.0000 0.0000 34203.7435 -148987.9537 298.7098 -183191.6972 -148888.4788 299.8948 -43.9759 -13.7043 558374.7226 2.6576 2.5741 PRESSURE: 1951200 -142.061 -29.1999 -159.87 -29.199 -122.958 20.327 -159.87 20.3277 -77.3054 GPRESSURE: 1951200 -51.2065 95.4718 -161.631 -23.4526 -91.5961 14.3766 -165.992 41.6681 -115.098 PRESSAVG: 1951200 -48.2032 27.8584 -24.8317 27.8584 -10.6254 30.36 -24.8317 30.36 54.9811 GPRESSAVG: 1951200 -47.082 26.3171 -23.3912 29.919 -12.1069 31.7677 -26.1255 31.6197 55.1559 TIMING: 1951200 CPU: 5656.95, 0.00287496/step Wall: 5656.95, 0.00287496/step, 2.43477 hours remaining, 209.582031 MB of memory in use. ENERGY: 1951200 790.8823 2185.3044 1929.5001 106.4341 -206218.9697 17800.5796 0.0000 0.0000 34343.1149 -149063.1543 299.9270 -183406.2692 -148958.2348 299.8899 -114.1079 -85.9667 558390.3183 -1.2825 -1.3444 PRESSURE: 1951400 -302.848 -90.3898 76.02 -90.3893 -10.8455 23.1079 76.0198 23.1081 -207.543 GPRESSURE: 1951400 -272.96 -92.4969 57.633 -125.346 -21.4107 21.5666 112.019 29.4856 -116.3 PRESSAVG: 1951400 -45.2598 -8.1457 -51.4084 -8.1456 6.32631 -8.69182 -51.4083 -8.69177 36.9234 GPRESSAVG: 1951400 -44.9628 -8.84752 -51.3206 -9.17741 7.3106 -8.60972 -50.7371 -10.3503 36.5258 TIMING: 1951400 CPU: 5657.52, 0.00287331/step Wall: 5657.52, 0.00287331/step, 2.43322 hours remaining, 209.582031 MB of memory in use. ENERGY: 1951400 741.6137 2127.7681 1932.7042 123.5752 -205800.3026 17578.0295 0.0000 0.0000 34513.4683 -148783.1436 301.4147 -183296.6119 -148683.0493 299.9890 -173.7453 -136.8903 558280.8586 -0.6700 -0.3755 PRESSURE: 1951600 -253.176 40.3105 216.87 40.3109 55.8689 -137.926 216.87 -137.926 -178.889 GPRESSURE: 1951600 -136.023 -41.7858 221.118 90.9764 24.2233 -146.181 143.903 -121.422 -174.442 PRESSAVG: 1951600 -22.4858 26.5121 -12.5285 26.5121 24.166 -27.5716 -12.5285 -27.5716 39.0671 GPRESSAVG: 1951600 -22.3775 25.3396 -14.3515 28.2893 22.7519 -29.5413 -10.8457 -26.5216 39.9334 TIMING: 1951600 CPU: 5658.1, 0.00289071/step Wall: 5658.1, 0.0028907/step, 2.44778 hours remaining, 209.582031 MB of memory in use. ENERGY: 1951600 732.9407 2059.3239 1944.7780 116.3250 -205710.7408 17557.6499 0.0000 0.0000 34452.5591 -148847.1641 300.8828 -183299.7232 -148748.9257 300.2271 -125.3988 -95.4136 558667.3336 13.5824 13.4359 PRESSURE: 1951800 261.74 -67.2884 26.2112 -67.2888 95.0959 -48.3578 26.2111 -48.3589 221.48 GPRESSURE: 1951800 283.726 -151.706 -15.2725 -30.3407 144.532 3.90517 -8.64478 -59.0036 243.476 PRESSAVG: 1951800 26.1498 21.0833 -24.7797 21.0834 23.4487 22.092 -24.7797 22.092 -47.1628 GPRESSAVG: 1951800 26.0932 21.6737 -24.0368 20.5148 24.2311 22.4124 -25.9125 20.4633 -47.7137 TIMING: 1951800 CPU: 5658.68, 0.00288099/step Wall: 5658.68, 0.00288099/step, 2.4394 hours remaining, 209.582031 MB of memory in use. ENERGY: 1951800 734.7358 2106.8107 1957.3968 111.0540 -206159.4315 18089.3268 0.0000 0.0000 34213.6482 -148946.4592 298.7963 -183160.1074 -148858.8113 299.7191 192.7722 223.9117 558127.6555 0.8119 0.8702 PRESSURE: 1952000 156.481 102.293 116.765 102.294 -41.0306 -43.9352 116.765 -43.9358 139.964 GPRESSURE: 1952000 204.969 60.9661 72.1238 86.2347 5.23083 42.0659 90.5312 -104.163 138.532 PRESSAVG: 1952000 68.6912 -5.28596 -2.52958 -5.28593 -7.46761 -19.7133 -2.52961 -19.7134 -8.34041 GPRESSAVG: 1952000 67.0347 -2.84603 -2.45929 -4.85421 -7.16563 -19.0501 -2.30272 -18.8196 -6.87205 TIMING: 1952000 CPU: 5659.26, 0.00289373/step Wall: 5659.26, 0.00289373/step, 2.45003 hours remaining, 209.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1952000 708.6026 2054.4481 1941.0118 109.9030 -205888.8543 17739.9869 0.0000 0.0000 34217.8798 -149117.0220 298.8333 -183334.9018 -149019.9453 299.2259 85.1382 116.2438 558657.8669 17.6277 17.6657 PRESSURE: 1952200 -35.422 30.6383 0.177918 30.6382 122.07 29.0767 0.17838 29.0772 -29.96 GPRESSURE: 1952200 29.7571 -35.0882 22.4606 12.2115 160.206 0.502644 -7.27726 63.736 -31.4346 PRESSAVG: 1952200 22.2199 59.2015 0.683348 59.2015 12.3678 22.7757 0.683401 22.7758 -54.2368 GPRESSAVG: 1952200 23.6895 56.5074 3.06742 59.1663 12.7964 23.5247 0.599701 23.0382 -55.963 TIMING: 1952200 CPU: 5659.83, 0.00289532/step Wall: 5659.83, 0.00289532/step, 2.45121 hours remaining, 209.582031 MB of memory in use. ENERGY: 1952200 715.1585 2076.8767 1937.9033 106.3246 -206010.4392 17762.7875 0.0000 0.0000 34201.9118 -149209.4766 298.6938 -183411.3884 -149110.9509 298.4617 18.8961 52.8428 556276.0934 -6.5497 -6.4923 LDB: ============= START OF LOAD BALANCING ============== 5663.22 LDB: ============== END OF LOAD BALANCING =============== 5663.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5663.22 LDB: ============= START OF LOAD BALANCING ============== 5663.51 LDB: Largest compute 4820 load 0.023653 is 20.0% of average load 0.117969 LDB: Average compute 0.001729 is 1.5% of average load 0.117969 LDB: TIME 5663.52 LOAD: AVG 0.117969 MAX 0.178647 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 5663.52 LOAD: AVG 0.117969 MAX 0.178647 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: TIME 5663.52 LOAD: AVG 0.117969 MAX 0.178647 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: ============== END OF LOAD BALANCING =============== 5663.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5663.52 PRESSURE: 1952400 -173.396 97.1008 212.262 97.1005 245.614 -25.9888 212.262 -25.9893 2.40341 GPRESSURE: 1952400 -106.527 84.4701 199.687 92.3879 243.371 -70.0265 180.904 32.951 42.234 PRESSAVG: 1952400 -8.47927 14.9042 31.0915 14.9042 45.0011 19.6696 31.0915 19.6698 -52.4995 GPRESSAVG: 1952400 -7.36702 16.2465 29.8975 13.6454 43.9752 19.001 31.6502 19.5706 -52.4371 TIMING: 1952400 CPU: 5660.43, 0.00297199/step Wall: 5660.43, 0.00297199/step, 2.51596 hours remaining, 209.382812 MB of memory in use. ENERGY: 1952400 738.2283 2075.9478 1952.8943 94.3717 -206058.1819 17807.5608 0.0000 0.0000 34294.3344 -149094.8447 299.5010 -183389.1790 -148993.3819 299.3366 24.8739 59.6927 557544.6860 -5.3259 -5.2763 PRESSURE: 1952600 181.711 -169.229 114.918 -169.23 352.081 -16.6293 114.919 -16.6291 298.177 GPRESSURE: 1952600 237.893 -189.684 48.2551 -147.379 313.342 11.0748 204.448 16.0427 371.721 PRESSAVG: 1952600 -17.5295 28.1899 29.0301 28.1899 33.1542 -9.70213 29.0302 -9.70222 19.353 GPRESSAVG: 1952600 -18.3817 27.2915 27.0072 28.3185 34.1088 -9.87587 30.9114 -10.355 19.0764 TIMING: 1952600 CPU: 5661.01, 0.00290878/step Wall: 5661.01, 0.00290878/step, 2.46228 hours remaining, 209.382812 MB of memory in use. ENERGY: 1952600 772.6675 2145.9995 1933.1855 110.5751 -206690.0999 18277.5436 0.0000 0.0000 34363.1347 -149086.9941 300.1018 -183450.1288 -148985.9956 299.7822 277.3231 307.6521 555893.6438 11.6593 11.6012 PRESSURE: 1952800 -176.664 -139.314 122.09 -139.315 -45.3569 100.317 122.089 100.318 -77.7277 GPRESSURE: 1952800 -81.1055 -209.253 131.941 -30.4525 -70.1121 92.8667 167.769 101.562 -49.5396 PRESSAVG: 1952800 53.0153 -8.95471 72.6875 -8.95459 -36.9607 38.6732 72.6875 38.6731 -1.07052 GPRESSAVG: 1952800 53.563 -8.2984 73.8195 -7.7017 -36.5618 36.5519 69.8314 39.9057 -1.64794 TIMING: 1952800 CPU: 5661.59, 0.00288188/step Wall: 5661.59, 0.00288188/step, 2.43935 hours remaining, 209.382812 MB of memory in use. ENERGY: 1952800 728.6373 2082.8586 1939.7591 117.2956 -206090.2805 17657.5836 0.0000 0.0000 34316.3647 -149247.7817 299.6933 -183564.1464 -149156.0372 299.9525 -99.9163 -66.9191 556030.3002 4.9947 5.1178 PRESSURE: 1953000 30.8282 113.092 -3.39153 113.09 133.182 34.6964 -3.39119 34.6982 247.096 GPRESSURE: 1953000 98.1951 104.15 42.9451 86.8326 137.013 31.3211 -17.2304 86.3913 276.674 PRESSAVG: 1953000 -18.423 32.4405 42.0022 32.4406 -14.9161 41.5022 42.0022 41.5022 37.9958 GPRESSAVG: 1953000 -18.8497 33.6253 41.8228 30.0828 -15.0951 41.8122 42.8149 43.006 38.2246 TIMING: 1953000 CPU: 5662.16, 0.00287752/step Wall: 5662.16, 0.00287752/step, 2.4355 hours remaining, 209.382812 MB of memory in use. ENERGY: 1953000 719.2402 2136.2295 1946.6716 105.8870 -206343.5539 17932.7648 0.0000 0.0000 34354.0319 -149148.7289 300.0223 -183502.7608 -149047.9613 299.7632 137.0354 170.6273 555840.7747 1.5522 1.4266 PRESSURE: 1953200 -31.4377 -95.3799 -70.2201 -95.3804 -87.446 71.2793 -70.2197 71.278 -25.9236 GPRESSURE: 1953200 -24.8567 -99.6324 -63.2596 -122.268 -47.1647 73.2883 -31.2018 16.6394 29.3368 PRESSAVG: 1953200 -15.8958 -30.9949 -13.8797 -30.995 23.5812 50.0888 -13.8798 50.0888 3.45361 GPRESSAVG: 1953200 -16.1131 -30.6665 -14.5296 -31.078 23.692 51.1598 -13.7089 47.3958 3.68068 TIMING: 1953200 CPU: 5662.74, 0.00290224/step Wall: 5662.74, 0.00290224/step, 2.45626 hours remaining, 209.382812 MB of memory in use. ENERGY: 1953200 753.9909 2092.7549 1943.4709 112.9505 -205791.9729 17633.2073 0.0000 0.0000 34038.1312 -149217.4673 297.2635 -183255.5985 -149126.6381 300.0192 -48.2691 -14.2282 556770.8053 3.7130 3.7532 PRESSURE: 1953400 38.8351 -114.914 181.014 -114.914 62.5437 -56.5021 181.013 -56.5013 3.27618 GPRESSURE: 1953400 51.8054 -113.419 131.193 -86.3757 98.8283 -52.1026 161.319 29.1936 49.6977 PRESSAVG: 1953400 28.4906 28.1683 56.3358 28.1683 2.79207 -60.1686 56.3358 -60.1685 -12.53 GPRESSAVG: 1953400 28.2639 27.5358 57.5588 29.3916 2.86744 -59.6319 57.7448 -59.508 -12.7501 TIMING: 1953400 CPU: 5663.32, 0.00288301/step Wall: 5663.32, 0.00288301/step, 2.43983 hours remaining, 209.382812 MB of memory in use. ENERGY: 1953400 746.5062 2079.0307 1925.2174 113.3729 -206072.4476 17849.5848 0.0000 0.0000 34149.3840 -149209.3517 298.2351 -183358.7356 -149117.1600 298.9969 34.8850 66.7771 556516.8384 6.2509 6.1271 PRESSURE: 1953600 -32.1689 -188.723 -116.331 -188.723 -387.367 13.1963 -116.331 13.1954 -258.117 GPRESSURE: 1953600 -15.9347 -115.661 -115.003 -178.295 -344.588 26.3146 -156.22 -35.6489 -220.306 PRESSAVG: 1953600 -49.0255 -18.3875 -1.79124 -18.3877 -44.5609 -3.36256 -1.79121 -3.36252 47.4567 GPRESSAVG: 1953600 -49.1134 -18.7274 -2.51831 -17.2061 -43.8744 -3.68771 -3.41924 -1.75037 47.514 TIMING: 1953600 CPU: 5663.89, 0.00286277/step Wall: 5663.89, 0.00286277/step, 2.42254 hours remaining, 209.382812 MB of memory in use. ENERGY: 1953600 769.0986 2105.9266 1920.6761 109.3437 -205988.0888 17586.8536 0.0000 0.0000 34474.1440 -149022.0462 301.0713 -183496.1902 -148928.8184 299.2224 -225.8841 -193.6096 556496.5902 -15.3766 -15.1579 PRESSURE: 1953800 -11.7457 61.9397 116.31 61.9414 115.532 -16.5691 116.31 -16.5683 59.3559 GPRESSURE: 1953800 35.3401 -0.00567642 71.4712 93.1691 158.469 -79.1105 5.24376 9.53186 67.7342 PRESSAVG: 1953800 44.9338 -5.07025 -8.07254 -5.07021 -56.8635 9.89838 -8.07261 9.89837 7.52921 GPRESSAVG: 1953800 45.2044 -6.93605 -5.76335 -4.74101 -57.333 7.54234 -9.21441 10.069 7.9588 TIMING: 1953800 CPU: 5664.47, 0.00289988/step Wall: 5664.47, 0.00289988/step, 2.45378 hours remaining, 209.382812 MB of memory in use. ENERGY: 1953800 775.3752 2079.2496 1959.5199 114.2857 -205972.3665 17781.8412 0.0000 0.0000 34108.5248 -149153.5702 297.8782 -183262.0950 -149055.3938 299.4515 54.3806 87.1811 557266.1957 -1.4668 -1.3899 PRESSURE: 1954000 104.236 8.73854 109.502 8.73824 -138.879 -114.436 109.502 -114.436 139.427 GPRESSURE: 1954000 111.089 -48.4474 59.8766 -47.6883 -79.5793 -130.41 205.23 -116.1 181.339 PRESSAVG: 1954000 -21.2611 -32.2684 11.9899 -32.2683 15.6818 50.843 11.9899 50.843 46.7457 GPRESSAVG: 1954000 -19.6722 -28.9084 11.6225 -31.9474 15.0732 52.6851 12.8367 50.6661 46.0993 TIMING: 1954000 CPU: 5665.05, 0.00287003/step Wall: 5665.05, 0.00287003/step, 2.42837 hours remaining, 209.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1954000 735.9261 2121.5102 1951.8357 110.9864 -206150.9596 17769.3334 0.0000 0.0000 34232.0952 -149229.2727 298.9574 -183461.3679 -149129.3550 299.2696 34.9279 70.9496 555502.1158 13.7222 13.8334 PRESSURE: 1954200 -87.1571 -18.3078 74.3037 -18.3092 -316.758 -41.1689 74.3038 -41.1706 -261.599 GPRESSURE: 1954200 -77.8017 -40.2863 87.7267 79.8558 -244.764 17.5445 54.2296 -97.8235 -237.357 PRESSAVG: 1954200 29.7528 -7.03626 -0.0550723 -7.03625 -45.1354 -37.6594 -0.0550742 -37.6595 10.4361 GPRESSAVG: 1954200 28.6622 -10.87 2.58421 -6.48694 -45.3641 -36.377 -1.29708 -38.6148 12.0429 TIMING: 1954200 CPU: 5665.62, 0.00289018/step Wall: 5665.62, 0.00289018/step, 2.44525 hours remaining, 209.382812 MB of memory in use. ENERGY: 1954200 758.9884 2099.6325 1953.3499 119.6587 -206034.8087 17501.2559 0.0000 0.0000 34220.8960 -149381.0273 298.8596 -183601.9232 -149282.2453 299.1103 -221.8379 -186.6409 556645.0141 -1.6489 -1.5530 PRESSURE: 1954400 103.917 -72.5858 176.665 -72.5871 139.496 -82.0537 176.667 -82.0541 150.703 GPRESSURE: 1954400 124.385 -87.6499 236.828 -91.2618 141.304 -63.6226 164.14 -55.9483 220.873 PRESSAVG: 1954400 16.1627 -41.0271 74.4378 -41.0271 -72.5156 -15.8131 74.4378 -15.8132 52.149 GPRESSAVG: 1954400 16.7692 -37.2463 72.1426 -44.973 -72.3789 -15.8006 75.833 -15.393 51.6066 TIMING: 1954400 CPU: 5666.2, 0.00287299/step Wall: 5666.2, 0.00287299/step, 2.43055 hours remaining, 209.382812 MB of memory in use. ENERGY: 1954400 722.7775 2103.2686 1977.7478 109.3941 -206696.3220 17967.5330 0.0000 0.0000 34396.3506 -149419.2503 300.3919 -183815.6009 -149321.0323 298.4419 131.3720 162.1876 555462.6344 -1.4013 -1.3344 PRESSURE: 1954600 -120.117 -74.0987 -139.274 -74.0993 -160.835 50.1786 -139.273 50.1788 17.9001 GPRESSURE: 1954600 -85.7125 -127.938 -136.651 -41.0818 -102.756 92.4989 -73.4834 -47.5394 17.9577 PRESSAVG: 1954600 38.7083 -54.5804 28.6123 -54.5804 -5.91092 19.7776 28.6124 19.7775 -36.709 GPRESSAVG: 1954600 38.1206 -58.3593 27.7245 -52.5517 -3.89065 19.5122 28.5904 19.415 -37.6789 TIMING: 1954600 CPU: 5666.77, 0.0028732/step Wall: 5666.77, 0.0028732/step, 2.43057 hours remaining, 209.382812 MB of memory in use. ENERGY: 1954600 808.6886 2117.0586 1962.6272 102.9031 -206276.7003 17754.2143 0.0000 0.0000 34235.2351 -149295.9734 298.9848 -183531.2085 -149206.3172 299.0367 -87.6840 -56.8371 556911.0883 -1.3039 -1.1497 PRESSURE: 1954800 62.1341 -86.4957 100.156 -86.4955 -13.2462 -83.1698 100.156 -83.1703 -46.908 GPRESSURE: 1954800 95.8298 -22.6405 142.122 -163.336 -5.86361 -147.691 87.0079 14.0585 27.3373 PRESSAVG: 1954800 -92.835 -43.8392 -36.9064 -43.8393 12.6304 -8.88127 -36.9064 -8.88126 114.942 GPRESSAVG: 1954800 -92.8984 -39.5674 -36.6227 -44.5197 12.4554 -11.1624 -36.0179 -7.74836 116.031 TIMING: 1954800 CPU: 5667.35, 0.00287787/step Wall: 5667.35, 0.00287787/step, 2.43436 hours remaining, 209.382812 MB of memory in use. ENERGY: 1954800 733.3894 2133.7057 1942.4562 122.4650 -206378.8101 17955.3052 0.0000 0.0000 34278.9237 -149212.5648 299.3664 -183491.4885 -149112.9843 299.3932 0.6600 39.1012 558728.5578 11.5792 11.8625 PRESSURE: 1955000 27.6907 -22.2508 -86.9462 -22.2515 -86.8317 -103.829 -86.9462 -103.831 -10.8531 GPRESSURE: 1955000 75.7072 15.3557 -104.891 -52.54 -39.8702 -41.5783 -77.4189 -158.963 -3.42218 PRESSAVG: 1955000 16.1869 43.8306 25.4976 43.8307 -50.509 -17.3632 25.4975 -17.3632 5.50363 GPRESSAVG: 1955000 17.6903 41.6458 24.3363 44.2177 -51.5371 -15.7878 27.0968 -18.5553 5.16469 TIMING: 1955000 CPU: 5667.93, 0.00288484/step Wall: 5667.93, 0.00288484/step, 2.44009 hours remaining, 209.382812 MB of memory in use. ENERGY: 1955000 794.5088 2103.9301 1932.9396 117.3592 -206319.6902 17915.0079 0.0000 0.0000 34171.8283 -149284.1162 298.4311 -183455.9445 -149192.0101 299.2213 -23.3314 10.8049 558262.2174 -9.6062 -9.5607 PRESSURE: 1955200 7.83551 -158.513 27.3376 -158.513 -36.4595 11.4533 27.3377 11.4534 126.509 GPRESSURE: 1955200 72.2963 -207.738 38.5327 -212.457 -25.809 35.9932 74.4427 -27.6948 139.872 PRESSAVG: 1955200 21.9299 -22.7734 43.902 -22.7734 -42.297 9.59685 43.9021 9.597 33.5193 GPRESSAVG: 1955200 21.3524 -21.6004 46.1146 -23.9401 -41.0468 9.50331 38.6107 8.40938 33.1331 TIMING: 1955200 CPU: 5668.5, 0.00285812/step Wall: 5668.5, 0.00285812/step, 2.41733 hours remaining, 209.382812 MB of memory in use. ENERGY: 1955200 742.8155 2049.4210 1954.2492 110.7748 -206749.9917 17956.5137 0.0000 0.0000 34324.5191 -149611.6985 299.7646 -183936.2176 -149513.4152 299.2495 32.6284 62.1197 556900.2598 4.3841 4.4796 PRESSURE: 1955400 -62.9283 124.814 42.1852 124.813 -0.461451 91.3008 42.1858 91.3 4.62337 GPRESSURE: 1955400 -23.6113 111.617 17.4462 136.158 12.4012 20.136 67.6 38.2124 32.5083 PRESSAVG: 1955400 45.1093 1.05492 12.1317 1.0549 -27.5094 22.8682 12.1317 22.8682 -40.281 GPRESSAVG: 1955400 46.1714 2.08447 9.68879 1.78335 -28.6685 24.1055 15.9382 23.5221 -40.2525 TIMING: 1955400 CPU: 5669.07, 0.00288687/step Wall: 5669.07, 0.00288687/step, 2.44149 hours remaining, 209.585938 MB of memory in use. ENERGY: 1955400 720.5276 2080.9241 1945.8200 116.7686 -206480.4198 17863.7369 0.0000 0.0000 34229.3723 -149523.2703 298.9336 -183752.6425 -149425.2579 298.0889 -19.5888 7.0994 557798.0191 -7.5604 -7.5832 PRESSURE: 1955600 -112.52 85.1304 -104.444 85.13 89.4088 7.59647 -104.445 7.59515 59.0067 GPRESSURE: 1955600 -73.7218 99.3828 -109.922 82.7467 101.286 79.7638 -66.066 -41.8513 99.6754 PRESSAVG: 1955600 -34.9865 19.1948 -29.9095 19.1948 10.7144 -6.98587 -29.9096 -6.98596 12.7071 GPRESSAVG: 1955600 -35.2697 16.6052 -28.6319 20.7214 10.6225 -6.09571 -32.5985 -7.2023 12.3568 TIMING: 1955600 CPU: 5669.65, 0.00287459/step Wall: 5669.65, 0.00287459/step, 2.43094 hours remaining, 209.585938 MB of memory in use. ENERGY: 1955600 766.8645 2081.7127 1964.0089 117.5172 -206467.5158 17798.6712 0.0000 0.0000 34230.0390 -149508.7023 298.9394 -183738.7413 -149406.0172 298.8175 11.9650 42.4132 556699.3716 -3.8550 -4.0968 PRESSURE: 1955800 -109.088 28.7355 -46.5412 28.7342 -42.117 268.239 -46.5407 268.241 -138.178 GPRESSURE: 1955800 -85.2818 51.831 51.6285 36.3913 6.55139 327.648 -154.888 214.285 -103.731 PRESSAVG: 1955800 29.6765 -21.5392 -21.0165 -21.5392 -33.8982 11.9976 -21.0165 11.9976 -13.1884 GPRESSAVG: 1955800 29.4782 -20.9141 -21.2337 -21.7127 -32.8462 10.7791 -18.9976 12.3461 -13.9087 TIMING: 1955800 CPU: 5670.22, 0.00286188/step Wall: 5670.22, 0.00286188/step, 2.42004 hours remaining, 209.585938 MB of memory in use. ENERGY: 1955800 736.1745 2097.8083 1941.2715 110.2761 -206115.4286 17678.9017 0.0000 0.0000 34236.3225 -149314.6741 298.9943 -183550.9966 -149225.4739 298.3774 -96.4610 -60.8206 557417.6900 -5.8034 -5.7589 PRESSURE: 1956000 147.86 -13.6325 -8.06795 -13.6319 -64.8379 73.0997 -8.0681 73.0998 -121.885 GPRESSURE: 1956000 170.597 -22.9347 -67.4486 31.6434 3.42332 4.2951 -26.4685 115.136 -106.939 PRESSAVG: 1956000 -42.8426 -18.7787 -20.7463 -18.7787 -10.5379 29.6094 -20.7463 29.6094 34.0906 GPRESSAVG: 1956000 -43.4415 -17.8775 -19.1107 -19.3233 -11.2574 29.2832 -21.866 27.9076 35.4775 TIMING: 1956000 CPU: 5670.8, 0.00288013/step Wall: 5670.8, 0.00288013/step, 2.43531 hours remaining, 209.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1956000 726.3260 2122.5008 1938.1611 111.4773 -205999.8809 17724.2090 0.0000 0.0000 34071.4425 -149305.7642 297.5544 -183377.2067 -149217.5196 298.9015 -12.9542 22.3604 557741.2217 -6.4300 -6.4071 PRESSURE: 1956200 -61.3153 -6.64244 -129.452 -6.64387 254.93 109.265 -129.452 109.265 363.192 GPRESSURE: 1956200 -35.6318 66.6663 -43.5338 -71.9546 243.689 135.548 -142.745 81.0817 442.856 PRESSAVG: 1956200 -40.9895 -3.52649 25.7995 -3.52657 -3.59013 34.9253 25.7995 34.9252 46.6823 GPRESSAVG: 1956200 -40.9403 -3.94717 25.6741 -3.5673 -3.67663 34.2497 25.9637 37.4973 46.582 TIMING: 1956200 CPU: 5671.38, 0.00288529/step Wall: 5671.38, 0.00288529/step, 2.43951 hours remaining, 209.585938 MB of memory in use. ENERGY: 1956200 733.3724 2060.6248 1942.6370 103.9987 -206369.4682 18088.3994 0.0000 0.0000 34225.3411 -149215.0949 298.8984 -183440.4360 -149122.1999 298.6393 185.6023 216.9708 558511.0140 0.7009 0.6550 LDB: ============= START OF LOAD BALANCING ============== 5674.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5674.76 LDB: =============== DONE WITH MIGRATION ================ 5674.76 LDB: ============= START OF LOAD BALANCING ============== 5675.05 LDB: Largest compute 4820 load 0.025397 is 21.5% of average load 0.118024 LDB: Average compute 0.001725 is 1.5% of average load 0.118024 LDB: TIME 5675.05 LOAD: AVG 0.118024 MAX 0.181608 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.16 MB LDB: TIME 5675.05 LOAD: AVG 0.118024 MAX 0.181608 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: TIME 5675.05 LOAD: AVG 0.118024 MAX 0.181608 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5675.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5675.06 PRESSURE: 1956400 188.164 -139.533 111.386 -139.534 -143.061 -1.15246 111.386 -1.15343 -74.1501 GPRESSURE: 1956400 174.989 -200.339 143.689 -99.9341 -94.0863 -49.2563 120.416 46.5444 -22.955 PRESSAVG: 1956400 -32.9294 37.7422 15.4153 37.7422 49.7153 2.4817 15.4151 2.48183 0.206306 GPRESSAVG: 1956400 -31.9762 37.4862 13.6205 38.2984 49.2343 2.2057 18.1033 0.48844 -0.242847 TIMING: 1956400 CPU: 5671.96, 0.00292567/step Wall: 5671.96, 0.00292567/step, 2.47349 hours remaining, 208.359375 MB of memory in use. ENERGY: 1956400 735.5490 2073.7740 1936.4498 105.3467 -206084.4379 17888.1742 0.0000 0.0000 34238.3250 -149106.8192 299.0118 -183345.1442 -149007.2393 299.2010 -9.6826 19.3160 559041.8511 5.6641 5.6718 PRESSURE: 1956600 204.77 -177.23 -71.5559 -177.23 -147.835 48.6005 -71.5558 48.6017 -23.6239 GPRESSURE: 1956600 240.319 -111.234 -72.7249 -189.221 -110.8 103.808 -45.5716 30.6595 -5.04424 PRESSAVG: 1956600 -3.88661 -22.4021 48.978 -22.402 34.9115 30.9405 48.978 30.9406 4.03523 GPRESSAVG: 1956600 -4.81292 -20.9587 48.5634 -23.5517 36.0468 31.5775 46.8129 33.1331 3.17234 TIMING: 1956600 CPU: 5672.54, 0.00287598/step Wall: 5672.54, 0.00287598/step, 2.43132 hours remaining, 208.359375 MB of memory in use. ENERGY: 1956600 773.7086 2082.6666 1952.3676 104.6612 -206264.4245 17954.1036 0.0000 0.0000 34234.9483 -149161.9686 298.9823 -183396.9169 -149064.9628 299.7678 11.1035 41.4916 559200.4925 11.6867 11.4687 PRESSURE: 1956800 -106.435 -137.154 84.5752 -137.154 130.48 19.2713 84.5747 19.2699 -72.2839 GPRESSURE: 1956800 -96.8971 -100.968 9.64169 -135.738 208.082 -5.29119 147.745 90.4475 -70.8737 PRESSAVG: 1956800 -29.4148 -21.6506 12.9747 -21.6507 -3.32078 -2.27954 12.9747 -2.27949 -23.7323 GPRESSAVG: 1956800 -28.5122 -21.0834 13.5963 -20.664 -3.87552 -2.58453 12.93 -3.12242 -23.923 TIMING: 1956800 CPU: 5673.11, 0.00286524/step Wall: 5673.11, 0.00286524/step, 2.42208 hours remaining, 208.359375 MB of memory in use. ENERGY: 1956800 754.2207 2071.8711 1951.3150 99.4086 -206299.1819 17823.9422 0.0000 0.0000 34470.1823 -149128.2420 301.0367 -183598.4244 -149030.8121 299.4048 -16.0795 13.4372 558258.4113 -18.8226 -18.7702 PRESSURE: 1957000 -273.839 128.985 -19.9107 128.984 -306.698 -59.8121 -19.9102 -59.8143 -196.213 GPRESSURE: 1957000 -231.786 200.715 1.49337 -12.2154 -248.796 -72.0744 8.17265 -15.9815 -195.895 PRESSAVG: 1957000 -58.6384 -104.362 -8.21512 -104.362 42.2153 39.411 -8.21506 39.4109 7.74056 GPRESSAVG: 1957000 -58.9511 -105.361 -7.92396 -105.721 42.6736 38.8953 -8.65772 39.5384 7.22866 TIMING: 1957000 CPU: 5673.69, 0.00290152/step Wall: 5673.69, 0.00290152/step, 2.45259 hours remaining, 208.359375 MB of memory in use. ENERGY: 1957000 778.6455 2032.0722 1965.6368 106.1677 -206198.5534 17643.0793 0.0000 0.0000 34248.2730 -149424.6789 299.0987 -183672.9519 -149333.0175 299.3976 -258.9166 -225.4924 557181.2341 -2.8942 -3.0163 PRESSURE: 1957200 -182.314 -23.2586 45.9036 -23.2587 -117.608 -65.9032 45.9035 -65.9013 -219.057 GPRESSURE: 1957200 -162.605 36.2967 82.8302 -48.9118 -75.1383 -5.64456 48.6937 -121.946 -166.45 PRESSAVG: 1957200 -6.85095 -32.8938 86.6077 -32.8939 16.2209 -54.5529 86.6077 -54.5529 -3.76886 GPRESSAVG: 1957200 -6.16939 -33.817 88.5607 -33.1062 15.9155 -53.5393 87.1646 -54.0831 -3.49063 TIMING: 1957200 CPU: 5674.27, 0.00290051/step Wall: 5674.27, 0.00290051/step, 2.45157 hours remaining, 208.359375 MB of memory in use. ENERGY: 1957200 786.9462 1985.8026 1982.8261 118.0023 -206349.2029 17834.6978 0.0000 0.0000 34376.5472 -149264.3807 300.2189 -183640.9279 -149172.7941 299.4860 -172.9928 -134.7311 557664.8448 1.8670 2.0852 PRESSURE: 1957400 173.591 -79.5682 105.386 -79.5681 222.573 -49.2307 105.386 -49.2322 116.75 GPRESSURE: 1957400 199.273 -116.562 103.988 -90.6997 256.692 -139.978 78.6882 -56.4579 138.876 PRESSAVG: 1957400 -54.8084 -14.418 -3.16359 -14.4179 44.6458 -28.8722 -3.1636 -28.8723 -70.584 GPRESSAVG: 1957400 -56.6663 -14.4787 -4.35669 -12.0135 45.0081 -27.3452 -1.45332 -30.7752 -69.306 TIMING: 1957400 CPU: 5674.85, 0.0028853/step Wall: 5674.85, 0.0028853/step, 2.43856 hours remaining, 208.359375 MB of memory in use. ENERGY: 1957400 731.8701 2030.8663 1956.2897 118.3971 -206877.1793 18139.1788 0.0000 0.0000 34283.0855 -149617.4916 299.4027 -183900.5772 -149522.5191 299.2982 170.9716 198.2803 557274.7155 -26.9155 -26.9881 PRESSURE: 1957600 -241.745 88.209 23.4658 88.2072 11.8623 -247.805 23.4669 -247.807 -37.807 GPRESSURE: 1957600 -288.01 52.7047 83.5377 128.776 78.5118 -246.48 -15.632 -289.622 28.0203 PRESSAVG: 1957600 17.3727 -37.7516 4.46037 -37.7515 40.9502 5.71743 4.46035 5.71737 -48.2553 GPRESSAVG: 1957600 18.2989 -38.832 4.8238 -37.0494 41.5885 5.94011 2.0585 7.4711 -49.6287 TIMING: 1957600 CPU: 5675.42, 0.0028833/step Wall: 5675.42, 0.0028833/step, 2.43671 hours remaining, 208.359375 MB of memory in use. ENERGY: 1957600 748.7401 2089.4018 1954.4472 121.0638 -206351.4555 17769.6321 0.0000 0.0000 34044.0402 -149624.1304 297.3151 -183668.1706 -149530.3181 297.6533 -89.2301 -60.4926 557029.4992 3.3559 3.4196 PRESSURE: 1957800 -168.294 25.9848 -7.47907 25.9846 -180.531 14.5781 -7.47893 14.576 -426.925 GPRESSURE: 1957800 -175.956 62.2918 73.1581 -14.3434 -66.3688 -27.6002 13.6248 36.9792 -444.005 PRESSAVG: 1957800 -26.2679 9.65499 -32.4762 9.65498 12.9296 -31.9226 -32.4762 -31.9226 20.3148 GPRESSAVG: 1957800 -25.6881 11.16 -33.6345 9.52502 12.4502 -31.9302 -31.3318 -34.082 20.5495 TIMING: 1957800 CPU: 5676.01, 0.00291462/step Wall: 5676.01, 0.00291462/step, 2.46302 hours remaining, 208.425781 MB of memory in use. ENERGY: 1957800 773.4777 2079.6524 1977.5346 112.6445 -206116.5165 17391.7040 0.0000 0.0000 33987.2627 -149794.2404 296.8192 -183781.5032 -149694.5131 298.0085 -258.5837 -228.7765 556322.0623 2.3255 2.4372 PRESSURE: 1958000 142.093 -69.9937 7.38505 -69.9943 -90.6435 105.257 7.38488 105.257 31.3012 GPRESSURE: 1958000 186.57 -72.8315 -20.0507 -15.2698 -56.2366 62.9717 -119.442 124.831 50.9946 PRESSAVG: 1958000 -5.87147 32.9726 -33.3323 32.9726 37.08 -11.4458 -33.3323 -11.4458 -30.4742 GPRESSAVG: 1958000 -6.03521 33.1492 -32.936 30.3533 36.6623 -11.3322 -34.0843 -11.149 -29.6115 TIMING: 1958000 CPU: 5676.59, 0.00291375/step Wall: 5676.59, 0.00291375/step, 2.46212 hours remaining, 208.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1958000 727.7496 2095.5326 1945.6407 120.3462 -206377.4687 17696.6331 0.0000 0.0000 34173.3500 -149618.2164 298.4444 -183791.5664 -149527.3264 298.1168 27.5834 60.4428 556515.6787 0.2448 0.3385 PRESSURE: 1958200 257.892 151.574 94.7757 151.574 137.528 -127.046 94.7758 -127.048 -34.7483 GPRESSURE: 1958200 307.86 146.277 97.2604 57.3597 164.347 -143.965 76.3568 -166.663 -20.6992 PRESSAVG: 1958200 -30.6176 -3.03253 11.9418 -3.03245 -43.3191 -1.99656 11.9419 -1.99645 77.6121 GPRESSAVG: 1958200 -30.5701 -3.4374 11.7693 -0.999256 -43.3493 -2.96598 11.03 -1.25784 77.3749 TIMING: 1958200 CPU: 5677.17, 0.00289061/step Wall: 5677.17, 0.00289061/step, 2.4424 hours remaining, 208.425781 MB of memory in use. ENERGY: 1958200 775.5218 2141.9668 1944.1000 117.2237 -206811.7199 18095.7569 0.0000 0.0000 34060.0992 -149677.0513 297.4553 -183737.1505 -149583.0617 298.8625 120.2240 150.5026 555392.2709 1.2251 1.1518 PRESSURE: 1958400 235.993 -31.6956 235.206 -31.696 396.406 -3.15386 235.206 -3.15331 -100.291 GPRESSURE: 1958400 266.984 -43.7447 177.135 -10.4119 378.868 53.7806 268.531 0.462418 -10.5434 PRESSAVG: 1958400 -0.39281 -7.69454 31.1233 -7.69445 -38.4452 19.2565 31.1233 19.2565 -11.0387 GPRESSAVG: 1958400 -0.9952 -7.99434 33.5249 -9.79613 -38.7461 19.5081 30.7332 17.457 -9.6711 TIMING: 1958400 CPU: 5677.74, 0.00287042/step Wall: 5677.74, 0.00287042/step, 2.42519 hours remaining, 208.425781 MB of memory in use. ENERGY: 1958400 726.2319 2136.5842 1948.1240 111.6972 -206849.1767 18027.1840 0.0000 0.0000 34147.7787 -149751.5767 298.2210 -183899.3554 -149653.7286 298.0302 177.3696 211.7695 554280.0898 -16.6256 -16.4708 PRESSURE: 1958600 -173.911 9.50627 -155.019 9.50678 8.57836 -84.6217 -155.018 -84.6227 -134.977 GPRESSURE: 1958600 -127.522 18.0706 -182.617 -27.4475 91.6415 -161.032 -153.858 -36.1363 -164.745 PRESSAVG: 1958600 -56.6071 -52.7088 11.7279 -52.7088 28.9513 -6.37045 11.7278 -6.37059 13.9481 GPRESSAVG: 1958600 -56.7309 -52.8257 10.6625 -52.0081 29.7957 -7.24377 12.9155 -4.83224 13.7114 TIMING: 1958600 CPU: 5678.32, 0.00287883/step Wall: 5678.32, 0.00287883/step, 2.43213 hours remaining, 208.425781 MB of memory in use. ENERGY: 1958600 764.2907 2148.2360 1947.7444 114.6115 -206631.6939 17851.0276 0.0000 0.0000 33946.9095 -149858.8743 296.4668 -183805.7838 -149762.1038 297.5023 -100.1033 -66.8752 557841.3162 -4.5692 -4.4079 PRESSURE: 1958800 141.105 138.187 -84.5853 138.186 83.0683 -65.7786 -84.5852 -65.7796 6.38844 GPRESSURE: 1958800 130.998 128.336 -104.779 137.264 122.831 -120.648 3.8048 -23.0196 73.985 PRESSAVG: 1958800 -29.3561 -2.45344 -22.9842 -2.45339 34.1454 26.9444 -22.9841 26.9444 5.98223 GPRESSAVG: 1958800 -26.9079 -2.6937 -24.8662 -2.3099 34.2884 28.6156 -21.4766 28.2548 3.53235 TIMING: 1958800 CPU: 5678.89, 0.00288919/step Wall: 5678.89, 0.00288919/step, 2.44073 hours remaining, 208.425781 MB of memory in use. ENERGY: 1958800 739.2515 2130.8891 1952.5937 112.1589 -206912.1809 17981.2971 0.0000 0.0000 34137.2119 -149858.7787 298.1288 -183995.9906 -149767.4676 297.7510 76.8540 109.2714 555895.1155 3.5905 3.6376 PRESSURE: 1959000 -2.45777 -29.931 -55.4176 -29.9303 -206.889 -172.239 -55.4173 -172.239 -209.905 GPRESSURE: 1959000 46.0158 -5.16991 -120.003 -54.5221 -167.066 -102.525 -13.9201 -193.526 -194.979 PRESSAVG: 1959000 73.2931 42.9132 -32.95 42.9133 -24.9227 15.1228 -32.9499 15.1228 -27.9849 GPRESSAVG: 1959000 71.3773 43.1586 -31.7294 44.8903 -24.6187 14.4923 -35.0365 14.041 -26.8049 TIMING: 1959000 CPU: 5679.47, 0.00287269/step Wall: 5679.47, 0.00287269/step, 2.42662 hours remaining, 208.425781 MB of memory in use. ENERGY: 1959000 743.6649 2084.0834 1922.6014 123.2221 -206376.0354 17697.0754 0.0000 0.0000 34114.8092 -149690.5790 297.9331 -183805.3882 -149592.6234 298.2271 -139.7505 -105.3433 557191.2771 6.7951 6.6512 PRESSURE: 1959200 94.5813 70.959 21.099 70.9582 190.718 -87.5065 21.0978 -87.5065 59.7441 GPRESSURE: 1959200 150.624 78.36 42.9647 37.5755 204.819 -110.166 26.72 -3.77915 95.2733 PRESSAVG: 1959200 1.70875 79.5244 -46.1295 79.5243 21.619 17.5878 -46.1295 17.5877 -17.7558 GPRESSAVG: 1959200 3.07273 77.3513 -45.4375 79.733 20.4594 15.845 -43.6453 17.3015 -18.0449 TIMING: 1959200 CPU: 5680.04, 0.00284708/step Wall: 5680.04, 0.00284708/step, 2.40484 hours remaining, 208.425781 MB of memory in use. ENERGY: 1959200 754.1531 2095.4870 1954.7431 111.5538 -206907.6808 18227.9751 0.0000 0.0000 34047.5336 -149716.2351 297.3456 -183763.7687 -149621.0722 297.6676 115.0146 150.2389 557422.3785 1.8573 1.8291 PRESSURE: 1959400 -113.89 -105.181 70.6547 -105.181 -355.605 -179.397 70.6565 -179.398 -141.208 GPRESSURE: 1959400 -25.3942 -123.404 37.4103 -98.5798 -367.681 -97.5277 109.703 -203.167 -119.775 PRESSAVG: 1959400 2.19941 17.9049 -22.6322 17.905 -69.1523 -5.86592 -22.6322 -5.86592 65.7096 GPRESSAVG: 1959400 2.35931 20.0565 -23.1609 17.4481 -69.6126 -4.56735 -21.6322 -8.15005 66.2146 TIMING: 1959400 CPU: 5680.61, 0.00286763/step Wall: 5680.61, 0.00286763/step, 2.42204 hours remaining, 208.425781 MB of memory in use. ENERGY: 1959400 721.6219 2084.1878 1963.5677 106.7585 -206268.7715 17497.4336 0.0000 0.0000 34131.5494 -149763.6527 298.0793 -183895.2021 -149670.5895 297.8916 -203.5676 -170.9502 558325.0694 -0.4144 -0.3462 PRESSURE: 1959600 37.1397 186.386 -87.5925 186.386 -225.439 -55.6728 -87.5924 -55.672 -90.5229 GPRESSURE: 1959600 38.964 237.04 -63.089 174.986 -148.341 7.64179 -68.4782 -107.948 -74.837 PRESSAVG: 1959600 -0.296724 -18.7524 24.3352 -18.7524 -94.6722 15.9443 24.3351 15.9443 82.6429 GPRESSAVG: 1959600 -1.00308 -18.841 23.8971 -20.5162 -94.3059 17.6796 21.9233 17.8555 82.6167 TIMING: 1959600 CPU: 5681.19, 0.0028741/step Wall: 5681.19, 0.0028741/step, 2.42734 hours remaining, 208.425781 MB of memory in use. ENERGY: 1959600 705.4920 2078.3938 1932.4853 127.5551 -206483.2779 17735.1114 0.0000 0.0000 34305.5912 -149598.6491 299.5993 -183904.2404 -149504.6417 298.0109 -92.9407 -61.4046 556916.0439 -4.1087 -4.2308 PRESSURE: 1959800 -231.711 -81.1154 -20.5608 -81.1142 -234.708 -29.2167 -20.5619 -29.2168 -344.828 GPRESSURE: 1959800 -184.157 -158.561 2.54695 -73.6308 -281.64 -8.06162 -11.4738 -99.513 -257.717 PRESSAVG: 1959800 44.1055 -14.0262 -40.4467 -14.0263 -36.4329 -23.3169 -40.4467 -23.3169 7.82548 GPRESSAVG: 1959800 45.2283 -14.3893 -40.1836 -11.9457 -36.015 -25.1456 -40.4457 -26.4278 6.37156 TIMING: 1959800 CPU: 5681.76, 0.00286119/step Wall: 5681.76, 0.00286119/step, 2.41627 hours remaining, 208.425781 MB of memory in use. ENERGY: 1959800 711.8465 2171.5881 1932.4134 122.1097 -206107.0610 17492.2367 0.0000 0.0000 34174.5867 -149502.2798 298.4552 -183676.8665 -149397.5307 297.9111 -270.4156 -241.1714 559273.5105 5.1660 5.1950 PRESSURE: 1960000 -113.158 -19.3425 177.427 -19.3434 -50.9751 99.471 177.426 99.4713 -163.387 GPRESSURE: 1960000 -69.8103 54.5898 123.966 -91.3947 -51.1188 20.8008 180.255 45.9228 -110.635 PRESSAVG: 1960000 66.8065 -34.1309 -14.0232 -34.1309 31.2088 37.8474 -14.0231 37.8473 -74.5658 GPRESSAVG: 1960000 66.3854 -35.2574 -15.2726 -33.9899 30.3565 38.4029 -11.9256 41.1236 -73.7129 TIMING: 1960000 CPU: 5682.33, 0.00285429/step Wall: 5682.33, 0.00285429/step, 2.41029 hours remaining, 208.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1960000 738.2152 2051.6751 1947.4323 98.7105 -206235.7611 17864.0058 0.0000 0.0000 33958.0503 -149577.6720 296.5641 -183535.7222 -149475.8657 297.4704 -109.1732 -77.1879 559755.5027 7.8165 7.6763 PRESSURE: 1960200 -174.437 -45.1016 -30.6002 -45.1005 -20.6702 84.3187 -30.5989 84.3193 284.98 GPRESSURE: 1960200 -107.126 73.5299 1.53671 -56.64 14.9718 121.599 -43.8759 15.1806 294.174 PRESSAVG: 1960200 -3.36563 9.98352 -31.5246 9.98348 18.5077 64.45 -31.5246 64.45 -34.2202 GPRESSAVG: 1960200 -4.97286 11.1449 -29.1303 9.18682 19.3997 62.9458 -34.5117 64.9505 -33.2565 TIMING: 1960200 CPU: 5682.9, 0.00287426/step Wall: 5682.9, 0.00287426/step, 2.42699 hours remaining, 208.667969 MB of memory in use. ENERGY: 1960200 745.9368 2001.6866 1942.4672 105.1558 -206436.1609 17943.8517 0.0000 0.0000 34123.6906 -149573.3722 298.0107 -183697.0627 -149474.5613 297.6756 29.9575 67.3400 558057.1168 -6.3594 -6.2766 LDB: ============= START OF LOAD BALANCING ============== 5686.29 LDB: ============== END OF LOAD BALANCING =============== 5686.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5686.29 LDB: ============= START OF LOAD BALANCING ============== 5686.58 LDB: Largest compute 4820 load 0.025920 is 22.0% of average load 0.117982 LDB: Average compute 0.001729 is 1.5% of average load 0.117982 LDB: TIME 5686.58 LOAD: AVG 0.117982 MAX 0.17952 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.609 MB LDB: TIME 5686.58 LOAD: AVG 0.117982 MAX 0.17952 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: TIME 5686.58 LOAD: AVG 0.117982 MAX 0.17952 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5686.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5686.59 PRESSURE: 1960400 -196.15 -57.1651 -126.094 -57.1656 -190.7 68.5916 -126.093 68.5915 134.159 GPRESSURE: 1960400 -108.488 -161.319 -161.511 -51.9932 -137.892 34.3343 -160.511 95.812 90.7609 PRESSAVG: 1960400 -15.0642 4.86833 -47.3806 4.86824 -1.40731 16.402 -47.3806 16.402 83.0805 GPRESSAVG: 1960400 -12.9826 2.07114 -49.7907 7.12366 -1.87465 17.4808 -45.5791 15.9094 81.2796 TIMING: 1960400 CPU: 5683.49, 0.0029385/step Wall: 5683.49, 0.0029385/step, 2.48107 hours remaining, 207.078125 MB of memory in use. ENERGY: 1960400 730.3566 2091.5492 1925.8183 104.7528 -206143.3413 17751.7770 0.0000 0.0000 34195.0009 -149344.0865 298.6334 -183539.0874 -149245.0073 298.5290 -84.2304 -51.8729 559624.2802 22.2030 22.1408 PRESSURE: 1960600 -54.7324 125.449 -73.9487 125.448 54.3098 56.0366 -73.9485 56.0373 -8.54593 GPRESSURE: 1960600 45.3604 61.8306 -53.7551 79.409 42.5632 131.475 -10.2349 -11.7921 23.0735 PRESSAVG: 1960600 -31.7511 -4.6395 -32.1922 -4.63959 -56.0595 -8.12538 -32.1923 -8.12542 43.7144 GPRESSAVG: 1960600 -31.806 -1.96197 -31.2302 -6.77198 -55.7624 -9.37506 -31.2313 -7.82917 44.4803 TIMING: 1960600 CPU: 5684.07, 0.00287654/step Wall: 5684.07, 0.00287654/step, 2.4286 hours remaining, 207.078125 MB of memory in use. ENERGY: 1960600 711.4058 2114.7103 1934.4804 110.0739 -206077.4647 17706.1542 0.0000 0.0000 34344.0437 -149156.5963 299.9351 -183500.6400 -149056.9436 298.6441 -2.9895 36.9990 557576.9489 -14.6988 -14.3627 PRESSURE: 1960800 -87.7473 248.505 256.614 248.505 -157.993 33.6531 256.613 33.6539 -222.778 GPRESSURE: 1960800 -99.6128 282.263 242.793 123.671 -96.1135 -11.0003 180.972 20.6682 -168.059 PRESSAVG: 1960800 -30.2945 13.883 27.0166 13.8829 -6.77036 21.3871 27.0166 21.3871 19.8043 GPRESSAVG: 1960800 -31.1619 15.3762 27.5016 13.3321 -6.558 22.5132 26.3257 20.8122 19.9451 TIMING: 1960800 CPU: 5684.65, 0.00289037/step Wall: 5684.65, 0.00289037/step, 2.44011 hours remaining, 207.078125 MB of memory in use. ENERGY: 1960800 744.7105 2079.3029 1919.2074 103.7887 -206012.2975 17644.0407 0.0000 0.0000 34269.2296 -149252.0177 299.2817 -183521.2473 -149152.7265 299.2152 -156.1727 -121.2616 557835.1066 -5.7535 -5.9249 PRESSURE: 1961000 -90.819 -26.3225 -57.3245 -26.3226 163.704 -160.717 -57.324 -160.719 -204.647 GPRESSURE: 1961000 -44.5557 31.1391 -99.0769 -74.2796 171.996 -112.243 -34.1053 -258.918 -165.237 PRESSAVG: 1961000 22.9986 -26.6577 56.9683 -26.6577 28.8657 -52.8192 56.9683 -52.8192 -29.1468 GPRESSAVG: 1961000 22.7285 -27.3704 54.2567 -26.6651 30.2085 -53.1346 57.6945 -52.2253 -29.0161 TIMING: 1961000 CPU: 5685.22, 0.0028935/step Wall: 5685.22, 0.0028935/step, 2.44259 hours remaining, 207.078125 MB of memory in use. ENERGY: 1961000 707.0528 2113.7221 1951.8239 114.5791 -206192.0891 17764.1294 0.0000 0.0000 34145.2320 -149395.5498 298.1988 -183540.7818 -149300.1475 299.0571 -43.9205 -12.5989 557975.1607 7.5725 7.9736 PRESSURE: 1961200 -24.2683 13.0584 22.4521 13.0594 85.5319 69.5838 22.4526 69.5824 -133.454 GPRESSURE: 1961200 0.123785 -66.0591 -6.36323 -39.6167 139.33 72.1291 79.0248 112.655 -112.999 PRESSAVG: 1961200 -29.4614 63.5131 68.5363 63.5132 57.9962 -28.2587 68.5362 -28.2588 -21.5141 GPRESSAVG: 1961200 -29.0402 63.3353 70.1978 63.8531 56.811 -27.2251 67.7123 -29.484 -19.8079 TIMING: 1961200 CPU: 5685.8, 0.00289855/step Wall: 5685.8, 0.00289855/step, 2.44669 hours remaining, 207.078125 MB of memory in use. ENERGY: 1961200 728.9523 2141.8298 1957.6284 106.1188 -206222.7998 17836.3249 0.0000 0.0000 34329.8248 -149122.1208 299.8109 -183451.9456 -149024.4291 298.9448 -24.0634 8.8180 556607.1634 2.3402 2.6543 PRESSURE: 1961400 54.9421 -41.3221 78.7225 -41.3232 -169.227 31.1155 78.7224 31.1156 -30.994 GPRESSURE: 1961400 13.168 -82.1616 -23.1043 -52.9178 -137.501 -67.5725 82.3192 37.8495 77.1992 PRESSAVG: 1961400 29.1546 36.0306 26.4792 36.0306 26.8534 21.8403 26.4792 21.8402 -69.1531 GPRESSAVG: 1961400 29.375 35.3413 28.0792 35.6204 27.8222 20.9807 24.7542 21.728 -70.5609 TIMING: 1961400 CPU: 5686.38, 0.00286838/step Wall: 5686.38, 0.00286838/step, 2.42107 hours remaining, 207.078125 MB of memory in use. ENERGY: 1961400 725.2143 2130.0102 1939.8816 104.2420 -206263.6485 17982.4680 0.0000 0.0000 34177.1871 -149204.6452 298.4779 -183381.8323 -149106.9658 299.5891 -48.4261 -15.7112 560273.2037 -4.3817 -4.4546 PRESSURE: 1961600 -52.915 47.6845 409.29 47.6849 355.106 64.3743 409.291 64.3734 32.0865 GPRESSURE: 1961600 -45.2058 117.689 452.671 23.0744 409.724 2.87911 397.78 76.6997 75.379 PRESSAVG: 1961600 -38.8069 -4.41178 65.1823 -4.41172 63.6825 -33.8376 65.1823 -33.8376 -15.6474 GPRESSAVG: 1961600 -38.7308 -3.55971 64.3406 -4.85852 64.5483 -33.6643 67.2154 -33.451 -16.6471 TIMING: 1961600 CPU: 5686.95, 0.00287954/step Wall: 5686.95, 0.00287954/step, 2.43033 hours remaining, 207.078125 MB of memory in use. ENERGY: 1961600 733.1710 2112.8918 1951.8227 102.9447 -206454.0265 18136.0737 0.0000 0.0000 34369.7100 -149047.4126 300.1592 -183417.1226 -148960.8990 299.9538 111.4258 146.6324 559200.4354 3.0761 3.0568 PRESSURE: 1961800 -58.7273 17.9282 10.8824 17.9282 -92.6957 -2.34066 10.8833 -2.34064 -335.553 GPRESSURE: 1961800 -46.688 -32.7078 -18.2341 -34.6725 -38.6547 -13.653 15.4853 9.7103 -288.961 PRESSAVG: 1961800 -62.9406 13.0876 32.8666 13.0876 64.6067 -9.58427 32.8667 -9.58419 7.98636 GPRESSAVG: 1961800 -62.1599 13.346 33.6269 13.8372 63.4544 -10.2042 30.5124 -8.57177 8.60957 TIMING: 1961800 CPU: 5687.54, 0.00291248/step Wall: 5687.54, 0.00291248/step, 2.45797 hours remaining, 207.078125 MB of memory in use. ENERGY: 1961800 722.9096 2046.5750 1977.1559 109.5971 -205655.7353 17672.6367 0.0000 0.0000 34103.8864 -149022.9745 297.8377 -183126.8609 -148921.8676 299.3030 -162.3253 -124.7679 559927.3546 3.2175 3.3014 PRESSURE: 1962000 72.9878 152.764 203.017 152.764 32.1263 112.323 203.017 112.323 -147.16 GPRESSURE: 1962000 149.882 150.318 161.025 123.455 18.5849 143.092 147.937 63.8206 -115.972 PRESSAVG: 1962000 15.5493 41.1428 15.7763 41.1428 2.03393 5.69509 15.7763 5.69499 28.2605 GPRESSAVG: 1962000 15.775 41.1954 15.3128 40.4497 2.13629 7.00003 17.9502 2.05143 27.9193 TIMING: 1962000 CPU: 5688.12, 0.00293903/step Wall: 5688.12, 0.00293903/step, 2.48021 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1962000 725.4192 2135.9693 1949.7059 112.0390 -205974.4855 17716.9908 0.0000 0.0000 34204.7685 -149129.5928 298.7188 -183334.3613 -149044.6537 299.3592 -14.0154 17.4981 557895.7750 15.2812 15.2769 PRESSURE: 1962200 -191.801 -191.044 -124.171 -191.042 95.7554 -43.1517 -124.171 -43.1507 -135.81 GPRESSURE: 1962200 -174.49 -192.067 -78.3538 -240.404 155.363 -40.7214 -79.4551 -74.7767 -101.754 PRESSAVG: 1962200 -52.3712 34.3341 -1.16209 34.3341 34.2772 -40.4825 -1.16213 -40.4825 27.8147 GPRESSAVG: 1962200 -52.5828 34.3191 -1.59824 35.1161 33.9046 -41.3118 -1.02732 -38.5318 28.5083 TIMING: 1962200 CPU: 5688.71, 0.00292014/step Wall: 5688.71, 0.00292014/step, 2.46412 hours remaining, 207.078125 MB of memory in use. ENERGY: 1962200 738.6152 2083.8136 1952.5980 110.9556 -206177.8490 17792.3032 0.0000 0.0000 34165.6726 -149333.8908 298.3773 -183499.5634 -149232.8092 298.5945 -77.2854 -40.2937 559000.5487 3.2402 3.2767 PRESSURE: 1962400 -363.081 -114.692 -7.01241 -114.692 92.8029 44.6993 -7.01131 44.6976 -190.054 GPRESSURE: 1962400 -351.434 -125.641 -18.9716 -165.94 147.903 64.3257 -20.3073 -58.6795 -163.185 PRESSAVG: 1962400 -23.3692 -32.586 -16.0311 -32.586 77.5678 -18.7691 -16.0311 -18.7691 -62.474 GPRESSAVG: 1962400 -23.4781 -34.3315 -16.6951 -31.5838 76.8073 -18.7088 -20.6013 -18.6477 -61.9869 TIMING: 1962400 CPU: 5689.29, 0.00290198/step Wall: 5689.29, 0.00290198/step, 2.44863 hours remaining, 207.078125 MB of memory in use. ENERGY: 1962400 784.4635 2053.0861 1961.4913 117.3868 -206204.9218 17699.5919 0.0000 0.0000 34255.4454 -149333.4568 299.1613 -183588.9022 -149236.1416 298.8681 -153.4442 -122.2388 558479.3556 -2.7585 -2.8859 PRESSURE: 1962600 -144.714 -86.0901 -72.0355 -86.09 213.229 -44.5326 -72.0352 -44.5313 -30.4169 GPRESSURE: 1962600 -59.6479 -34.1853 -23.351 -28.3988 226.532 -112.518 -62.4173 -89.324 -27.7645 PRESSAVG: 1962600 -22.3478 -56.4941 6.79406 -56.4941 35.2309 15.0553 6.79414 15.0553 -9.62208 GPRESSAVG: 1962600 -21.9742 -55.8107 6.63809 -58.3429 34.8282 14.7069 11.0874 13.569 -9.26236 TIMING: 1962600 CPU: 5689.86, 0.00288045/step Wall: 5689.86, 0.00288045/step, 2.4303 hours remaining, 207.078125 MB of memory in use. ENERGY: 1962600 761.1989 2035.2248 1971.3825 110.0225 -206388.9488 17804.6013 0.0000 0.0000 34320.9029 -149385.6160 299.7330 -183706.5189 -149292.4516 299.1018 12.6992 46.3732 556815.1427 1.0870 1.1972 PRESSURE: 1962800 -60.2695 -12.2015 100.835 -12.2012 60.969 -164.256 100.835 -164.255 127.629 GPRESSURE: 1962800 -19.379 10.3274 153.902 18.9294 81.5514 -166.803 70.7262 -169.258 160.523 PRESSAVG: 1962800 8.31116 18.9192 -14.541 18.9192 12.085 -28.2883 -14.541 -28.2883 18.5536 GPRESSAVG: 1962800 8.29334 17.3779 -15.0428 20.4114 13.2528 -27.8714 -14.1782 -26.9279 17.2478 TIMING: 1962800 CPU: 5690.45, 0.00290975/step Wall: 5690.45, 0.00290975/step, 2.45486 hours remaining, 207.078125 MB of memory in use. ENERGY: 1962800 715.3287 2020.0299 1939.7900 104.4066 -206126.6527 17813.5109 0.0000 0.0000 34242.4581 -149291.1285 299.0479 -183533.5866 -149195.6743 298.5838 42.7761 74.2319 557302.5938 12.9833 12.9313 PRESSURE: 1963000 167.802 0.951494 -9.66795 0.952296 -35.1684 -96.568 -9.66756 -96.5664 5.04337 GPRESSURE: 1963000 182.228 34.0605 -37.7898 60.261 45.4852 -186.08 4.49739 -83.8668 10.8976 PRESSAVG: 1963000 -47.0051 3.00153 41.445 3.00158 26.4076 4.16764 41.445 4.1677 -10.9663 GPRESSAVG: 1963000 -48.5821 3.92688 42.9931 1.53042 26.5686 2.45815 40.2114 5.39738 -9.62905 TIMING: 1963000 CPU: 5691.03, 0.0029154/step Wall: 5691.03, 0.0029154/step, 2.45946 hours remaining, 207.078125 MB of memory in use. ENERGY: 1963000 728.9666 2061.3815 1962.0541 118.9180 -206337.3341 17756.5233 0.0000 0.0000 34302.8484 -149406.6420 299.5753 -183709.4905 -149301.2175 298.4155 45.8925 79.5371 556624.4655 -10.5212 -10.5475 PRESSURE: 1963200 52.9616 14.918 0.00387183 14.9181 -28.0965 -38.0683 0.00322412 -38.0707 -127.867 GPRESSURE: 1963200 88.6488 39.6496 36.1767 -41.5218 28.4308 -66.5354 -13.6048 -72.5101 -109.718 PRESSAVG: 1963200 25.3398 41.2546 3.58297 41.2545 56.405 3.60483 3.5829 3.60481 -66.4147 GPRESSAVG: 1963200 26.0573 40.7274 2.25476 42.608 55.5204 4.8438 4.42912 2.83637 -66.2422 TIMING: 1963200 CPU: 5691.61, 0.0028903/step Wall: 5691.61, 0.0028903/step, 2.43813 hours remaining, 207.078125 MB of memory in use. ENERGY: 1963200 757.5718 2009.8967 1962.7244 112.3229 -206154.8621 17714.2675 0.0000 0.0000 33929.8982 -149668.1806 296.3182 -183598.0788 -149576.1296 298.1946 -34.3340 2.4539 557583.1921 5.1100 5.1118 PRESSURE: 1963400 -64.8602 87.0022 -8.90447 87.0019 25.4942 -153.039 -8.90478 -153.039 187.142 GPRESSURE: 1963400 -5.35785 108.275 -46.2076 87.9001 60.3396 -144.257 16.1235 -154.652 196.375 PRESSAVG: 1963400 -47.0647 -1.75489 -4.14353 -1.7549 -3.6667 -24.3635 -4.14351 -24.3636 -1.23571 GPRESSAVG: 1963400 -46.5233 -3.2116 -2.7426 -1.44547 -3.87164 -24.5072 -6.15766 -25.3494 -2.1545 TIMING: 1963400 CPU: 5692.18, 0.00288647/step Wall: 5692.18, 0.00288647/step, 2.43473 hours remaining, 207.078125 MB of memory in use. ENERGY: 1963400 794.2927 2025.2808 1927.9563 105.0441 -206628.4333 18015.1705 0.0000 0.0000 34056.3537 -149704.3352 297.4226 -183760.6889 -149610.3948 297.8394 49.2585 83.7856 555766.0971 -17.3224 -17.5165 PRESSURE: 1963600 -195.983 43.5507 149.722 43.55 -149.699 33.8415 149.722 33.8409 -91.9237 GPRESSURE: 1963600 -90.2984 72.7813 126.262 21.0276 -112.131 105.6 144.388 113.173 -139.655 PRESSAVG: 1963600 -6.30044 34.2457 8.74951 34.2458 -33.7637 55.5984 8.7495 55.5985 -0.775788 GPRESSAVG: 1963600 -5.76947 35.378 8.26263 34.6422 -32.9826 56.9822 9.6764 54.5964 -2.26603 TIMING: 1963600 CPU: 5692.76, 0.00289691/step Wall: 5692.76, 0.00289691/step, 2.44338 hours remaining, 207.078125 MB of memory in use. ENERGY: 1963600 733.7112 2077.9567 1939.8750 111.7151 -206604.4828 17768.3502 0.0000 0.0000 34294.2859 -149678.5886 299.5005 -183972.8746 -149577.9723 297.7121 -145.8684 -114.0280 557128.2693 -13.6133 -13.6727 PRESSURE: 1963800 -208.578 -1.15034 -85.3019 -1.15011 -7.34546 -78.5209 -85.2992 -78.5194 -87.3516 GPRESSURE: 1963800 -221.012 -83.7555 -61.3817 55.081 -30.6446 -62.089 -25.5989 -73.7041 44.0163 PRESSAVG: 1963800 12.1693 49.0828 29.4558 49.0826 -56.9033 22.8307 29.4558 22.8308 17.3719 GPRESSAVG: 1963800 11.1213 48.0913 29.5983 48.3572 -58.1225 21.6343 28.531 24.8589 19.768 TIMING: 1963800 CPU: 5693.34, 0.00286325/step Wall: 5693.34, 0.00286325/step, 2.41483 hours remaining, 207.078125 MB of memory in use. ENERGY: 1963800 706.6553 2110.6679 1959.8413 112.6296 -206404.0472 17725.3768 0.0000 0.0000 34156.3805 -149632.4959 298.2962 -183788.8763 -149540.5643 298.2840 -101.0917 -69.2134 557855.3812 -9.1207 -9.0778 PRESSURE: 1964000 95.5501 -152.266 29.5793 -152.265 135.76 117.791 29.5784 117.791 66.4404 GPRESSURE: 1964000 162.99 -61.7737 62.4491 -201.314 157.181 101.93 81.1095 118.183 75.2356 PRESSAVG: 1964000 -47.0379 -3.52958 -40.1324 -3.52953 17.0846 11.1882 -40.1324 11.1881 31.4517 GPRESSAVG: 1964000 -45.9957 -1.78104 -39.5966 -4.72 17.6135 11.0727 -40.2128 10.4224 30.0763 TIMING: 1964000 CPU: 5693.91, 0.00287273/step Wall: 5693.91, 0.00287273/step, 2.42267 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1964000 724.2370 2081.4518 1932.9731 100.8141 -206560.7609 17943.5032 0.0000 0.0000 34295.4700 -149482.3116 299.5109 -183777.7816 -149389.5437 297.9478 99.2501 131.8023 557675.9303 0.4994 0.5647 PRESSURE: 1964200 50.5608 -54.0286 -101.222 -54.0292 31.4687 14.5743 -101.223 14.5749 120.632 GPRESSURE: 1964200 50.0949 -26.2081 -112.565 12.4969 98.9617 -122.43 -72.9368 109.043 156.125 PRESSAVG: 1964200 -78.6144 42.7495 10.3955 42.7496 49.0834 36.137 10.3953 36.1371 57.7032 GPRESSAVG: 1964200 -78.6059 41.6954 9.0442 43.1587 48.8183 35.4281 10.1452 36.1633 58.3398 TIMING: 1964200 CPU: 5694.49, 0.00289143/step Wall: 5694.49, 0.00289143/step, 2.43828 hours remaining, 207.078125 MB of memory in use. ENERGY: 1964200 765.8803 2104.0804 1931.7602 99.9014 -206502.5815 18003.2979 0.0000 0.0000 34201.0653 -149396.5960 298.6864 -183597.6613 -149311.2568 298.7182 67.5539 101.7272 556763.9383 9.3908 9.5174 LDB: ============= START OF LOAD BALANCING ============== 5697.87 LDB: ============== END OF LOAD BALANCING =============== 5697.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5697.88 LDB: ============= START OF LOAD BALANCING ============== 5698.17 LDB: Largest compute 4820 load 0.025890 is 22.0% of average load 0.117894 LDB: Average compute 0.001728 is 1.5% of average load 0.117894 LDB: TIME 5698.17 LOAD: AVG 0.117894 MAX 0.179623 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.406 MB LDB: TIME 5698.17 LOAD: AVG 0.117894 MAX 0.179623 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: TIME 5698.17 LOAD: AVG 0.117894 MAX 0.179623 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5698.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5698.17 PRESSURE: 1964400 -112.748 155.154 55.5538 155.154 -552.384 22.3612 55.5519 22.3601 -287.022 GPRESSURE: 1964400 -97.6408 101.677 74.9561 156.723 -463.92 -22.976 -50.8754 56.6596 -289.752 PRESSAVG: 1964400 -2.00959 24.5877 -10.8484 24.5877 -22.565 29.5096 -10.8485 29.5096 12.8547 GPRESSAVG: 1964400 -3.14246 25.0636 -11.1126 24.6755 -21.3673 31.2962 -9.08523 28.79 13.0439 TIMING: 1964400 CPU: 5695.08, 0.00294714/step Wall: 5695.08, 0.00294714/step, 2.48509 hours remaining, 208.613281 MB of memory in use. ENERGY: 1964400 730.3534 2033.1158 1947.3290 101.8148 -206036.1219 17500.3859 0.0000 0.0000 34186.9205 -149536.2025 298.5629 -183723.1230 -149431.2167 298.9270 -317.3846 -283.7709 557859.7722 -3.9066 -3.8219 PRESSURE: 1964600 -144.717 -77.6259 102.064 -77.6255 -245.739 -21.9749 102.066 -21.9771 84.5653 GPRESSURE: 1964600 -139.903 -100.468 147.268 -3.5436 -172.097 -35.5006 17.6492 52.7357 107.425 PRESSAVG: 1964600 -3.92045 -43.5215 45.8791 -43.5215 36.779 -0.872164 45.8791 -0.872175 15.2841 GPRESSAVG: 1964600 -3.94206 -42.0498 49.0537 -43.5968 36.5787 -0.652955 42.3389 1.41671 15.4482 TIMING: 1964600 CPU: 5695.66, 0.00288626/step Wall: 5695.66, 0.00288626/step, 2.4336 hours remaining, 208.898438 MB of memory in use. ENERGY: 1964600 704.4661 2083.3781 1932.2625 104.1479 -206075.4649 17723.9495 0.0000 0.0000 33944.2822 -149582.9786 296.4439 -183527.2608 -149492.4685 298.1461 -101.9636 -68.1917 557799.0133 16.0476 16.0283 PRESSURE: 1964800 -96.4004 -42.4169 -84.1213 -42.4167 129.268 -141.646 -84.1211 -141.647 -175.136 GPRESSURE: 1964800 -83.3414 -139.255 -133.371 -60.2681 125.419 -75.322 -41.2632 -165.222 -87.0788 PRESSAVG: 1964800 -33.7342 -18.6752 54.092 -18.6752 -1.33496 24.9259 54.092 24.9259 4.12623 GPRESSAVG: 1964800 -34.212 -20.5955 51.1395 -17.5213 -1.30112 23.9386 56.369 23.9649 4.40982 TIMING: 1964800 CPU: 5696.23, 0.00288426/step Wall: 5696.23, 0.00288426/step, 2.43175 hours remaining, 208.898438 MB of memory in use. ENERGY: 1964800 756.4599 2139.3954 1925.3688 103.7653 -206912.1957 18170.0699 0.0000 0.0000 34253.2219 -149563.9145 299.1419 -183817.1364 -149467.2277 297.8777 -47.4227 -15.0006 557447.8958 -10.3143 -10.3678 PRESSURE: 1965000 123.306 -30.1808 -40.7877 -30.18 -67.8661 -295.998 -40.7863 -295.997 -118.107 GPRESSURE: 1965000 150.833 -38.0789 -45.022 -34.9302 -15.6582 -337.3 -102.308 -208.143 -91.1205 PRESSAVG: 1965000 -10.8847 -51.0704 -1.95065 -51.0704 -6.12411 27.2237 -1.95068 27.2236 -10.0783 GPRESSAVG: 1965000 -11.0412 -50.3866 -1.52363 -51.836 -6.4554 27.4873 -0.691707 26.3469 -10.1843 TIMING: 1965000 CPU: 5696.81, 0.00287803/step Wall: 5696.81, 0.00287803/step, 2.42634 hours remaining, 208.898438 MB of memory in use. ENERGY: 1965000 748.7027 2087.9551 1949.1185 108.9720 -206497.0359 17847.4605 0.0000 0.0000 34253.2848 -149501.5421 299.1425 -183754.8270 -149409.2833 298.2085 -20.8890 14.6847 557688.8416 -9.0290 -9.2270 PRESSURE: 1965200 -135.92 163.805 74.9151 163.805 223.62 -48.9917 74.9156 -48.9897 -73.3902 GPRESSURE: 1965200 -123.449 84.239 31.8492 245.583 294.93 16.4071 169.412 -112.342 -57.1714 PRESSAVG: 1965200 28.9852 14.3138 -20.5348 14.3138 31.6054 -39.0246 -20.5347 -39.0246 -44.4083 GPRESSAVG: 1965200 30.9519 14.1923 -21.1061 13.3729 29.2956 -37.9908 -21.7398 -37.2575 -44.5787 TIMING: 1965200 CPU: 5697.38, 0.00286678/step Wall: 5697.38, 0.00286678/step, 2.41669 hours remaining, 208.898438 MB of memory in use. ENERGY: 1965200 795.7512 2032.8059 1972.2387 103.3528 -206659.3982 18058.0789 0.0000 0.0000 34161.9470 -149535.2237 298.3448 -183697.1708 -149439.9572 298.5214 4.7702 38.1031 557597.5858 5.3941 5.2230 PRESSURE: 1965400 50.2425 23.5924 25.3799 23.5919 -136.831 -119.658 25.3811 -119.657 -99.9155 GPRESSURE: 1965400 34.6084 28.6532 -36.8367 117.327 -96.3333 -54.4691 95.6214 -86.0839 -18.842 PRESSAVG: 1965400 -37.1624 16.0272 2.58742 16.0272 11.9311 -20.5531 2.58737 -20.553 9.93975 GPRESSAVG: 1965400 -38.7959 15.267 4.18073 18.6241 14.0425 -20.4968 2.04695 -22.5207 9.77584 TIMING: 1965400 CPU: 5697.96, 0.0029065/step Wall: 5697.96, 0.0029065/step, 2.45002 hours remaining, 208.898438 MB of memory in use. ENERGY: 1965400 747.0133 2055.2031 1946.5873 100.7448 -206611.6221 17841.5084 0.0000 0.0000 34319.5476 -149601.0176 299.7211 -183920.5652 -149499.0437 298.0362 -62.1680 -26.8556 556830.0792 -5.0972 -4.9925 PRESSURE: 1965600 36.4603 -14.3476 -82.0632 -14.3471 -99.1858 142.869 -82.062 142.871 124.344 GPRESSURE: 1965600 70.9348 -88.48 -50.5236 7.5727 -9.11661 112.391 -148.534 204.749 96.5608 PRESSAVG: 1965600 -23.512 -48.5554 -4.39243 -48.5554 -3.57642 29.4615 -4.39244 29.4616 -20.7084 GPRESSAVG: 1965600 -24.7434 -49.2362 -5.13607 -48.7535 -4.29089 28.237 -5.33259 31.0804 -18.9575 TIMING: 1965600 CPU: 5698.54, 0.00289364/step Wall: 5698.54, 0.00289364/step, 2.43902 hours remaining, 208.898438 MB of memory in use. ENERGY: 1965600 725.2117 2058.7347 1941.9253 105.1699 -206509.6741 17991.1938 0.0000 0.0000 33970.6560 -149716.7827 296.6742 -183687.4387 -149619.5751 297.4050 20.5396 52.7930 556224.5429 -15.9323 -15.9973 PRESSURE: 1965800 -226.888 -42.7313 -89.1077 -42.7325 -278.358 -86.1754 -89.1089 -86.1751 -83.9062 GPRESSURE: 1965800 -247.609 -80.7546 -49.0779 -33.26 -256.375 -13.1447 5.17435 -54.9153 -6.39963 PRESSAVG: 1965800 -32.1917 -35.1517 22.3677 -35.1518 8.15581 -7.65312 22.3678 -7.65319 21.5413 GPRESSAVG: 1965800 -32.3593 -34.5398 21.0473 -34.8169 8.34387 -7.49068 25.507 -9.32588 21.8546 TIMING: 1965800 CPU: 5699.13, 0.0029161/step Wall: 5699.13, 0.0029161/step, 2.45779 hours remaining, 208.898438 MB of memory in use. ENERGY: 1965800 752.7128 2080.9431 1955.8398 119.3623 -206073.8462 17395.4879 0.0000 0.0000 34243.1697 -149526.3306 299.0541 -183769.5003 -149433.6345 298.2912 -196.3839 -170.1279 557565.9861 -0.8315 -0.7203 PRESSURE: 1966000 -84.1979 6.28746 -108.219 6.28719 166.269 -27.3942 -108.22 -27.394 264.273 GPRESSURE: 1966000 -94.065 -3.3966 -102.413 17.8787 226.64 -87.9731 -105.185 -2.57197 308.506 PRESSAVG: 1966000 -2.43298 10.2428 3.29698 10.2429 -34.0622 -24.0215 3.29706 -24.0215 51.38 GPRESSAVG: 1966000 -0.594038 11.0992 3.95417 10.1546 -34.8332 -24.6928 2.59702 -23.3154 49.5491 TIMING: 1966000 CPU: 5699.71, 0.00291857/step Wall: 5699.71, 0.00291857/step, 2.45971 hours remaining, 208.898438 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: 1966000 710.0520 2068.2984 1929.4735 115.7071 -206409.8217 17841.0178 0.0000 0.0000 34151.8575 -149593.4154 298.2567 -183745.2729 -149493.0340 298.8994 115.4482 147.0272 556064.7162 4.9616 4.7073 PRESSURE: 1966200 -46.8785 63.4991 75.3836 63.4991 63.2498 79.9805 75.3847 79.9827 220.482 GPRESSURE: 1966200 -39.6185 37.9306 -93.7817 75.1224 99.0214 180.206 248.761 0.456833 270.899 PRESSAVG: 1966200 -2.65977 -70.3239 -42.3421 -70.3239 -62.9888 -32.7571 -42.342 -32.7571 121.071 GPRESSAVG: 1966200 -3.6145 -72.0433 -41.9351 -71.2473 -62.7209 -33.2923 -41.4162 -32.3118 121.65 TIMING: 1966200 CPU: 5700.29, 0.00291579/step Wall: 5700.29, 0.00291579/step, 2.4572 hours remaining, 208.898438 MB of memory in use. ENERGY: 1966200 744.8368 2026.7794 1954.2429 128.3007 -206780.0906 18007.3134 0.0000 0.0000 34346.3271 -149572.2902 299.9550 -183918.6173 -149474.9546 298.5464 78.9511 110.1006 556446.6842 18.4741 18.4384 PRESSURE: 1966400 -3.46049 -82.506 -53.647 -82.5052 -463.081 85.0675 -53.647 85.068 55.0555 GPRESSURE: 1966400 31.0032 -62.6306 7.51844 -116.59 -389.309 65.999 -97.7378 156.239 52.8585 PRESSAVG: 1966400 -2.22094 -26.9055 -30.6363 -26.9054 -6.81843 9.45016 -30.6363 9.45008 27.3317 GPRESSAVG: 1966400 -1.76134 -26.3196 -29.7986 -27.2743 -6.50782 9.30889 -32.0114 10.6866 27.2862 TIMING: 1966400 CPU: 5700.87, 0.00290225/step Wall: 5700.87, 0.00290225/step, 2.44563 hours remaining, 208.898438 MB of memory in use. ENERGY: 1966400 724.4922 2050.3429 1983.1234 123.6109 -206032.4219 17499.6307 0.0000 0.0000 34004.8187 -149646.4032 296.9725 -183651.2219 -149549.1962 297.1220 -137.1620 -101.8157 558436.8446 6.0974 6.3390 PRESSURE: 1966600 -85.5075 102.696 -29.1349 102.695 -139.166 123.835 -29.1348 123.835 145.642 GPRESSURE: 1966600 -44.6247 160.133 -89.7917 60.8551 -80.8919 37.7145 -15.6391 164.97 144.892 PRESSAVG: 1966600 18.5452 3.82425 -21.3805 3.82413 -54.6546 81.9131 -21.3804 81.9131 62.795 GPRESSAVG: 1966600 17.9634 3.82943 -21.6034 2.33053 -54.158 82.6766 -21.3832 80.6158 62.5105 TIMING: 1966600 CPU: 5701.45, 0.00289867/step Wall: 5701.45, 0.00289867/step, 2.44245 hours remaining, 208.898438 MB of memory in use. ENERGY: 1966600 768.7018 2073.7420 1941.8193 112.6420 -206281.6557 17766.1687 0.0000 0.0000 34098.2756 -149520.3065 297.7887 -183618.5821 -149426.4093 298.1300 -26.3439 6.4585 557739.6999 8.8952 8.7720 PRESSURE: 1966800 8.99362 -77.9807 -43.9968 -77.9817 234.488 -14.3305 -43.996 -14.3304 184.182 GPRESSURE: 1966800 10.2377 -41.8165 -43.1325 -82.8943 268.545 10.0569 -17.6965 -66.8476 222.794 PRESSAVG: 1966800 -6.35627 15.711 -59.0625 15.7109 -14.4279 -7.49794 -59.0625 -7.49794 -41.6471 GPRESSAVG: 1966800 -6.58791 13.326 -60.298 17.2988 -14.9909 -7.29655 -58.7913 -8.33091 -42.0227 TIMING: 1966800 CPU: 5702.03, 0.00291255/step Wall: 5702.03, 0.00291255/step, 2.45399 hours remaining, 208.898438 MB of memory in use. ENERGY: 1966800 730.8968 2046.5681 1959.9826 108.2257 -206976.8111 18123.6826 0.0000 0.0000 34414.6034 -149592.8520 300.5513 -184007.4553 -149495.6926 298.3424 142.5547 167.1924 555787.0123 -20.8104 -21.2005 PRESSURE: 1967000 -278.5 1.90813 -122.114 1.90798 205.762 -18.4952 -122.113 -18.4957 -116.723 GPRESSURE: 1967000 -236.656 2.60245 -165.209 92.5453 263.829 24.5179 -79.8886 -105.119 -109.24 PRESSAVG: 1967000 -14.7586 28.4967 18.0332 28.4967 57.7182 37.8094 18.0332 37.8094 -0.939511 GPRESSAVG: 1967000 -14.7391 30.6737 17.9397 27.4918 56.7213 36.8699 18.7682 40.1969 -0.177347 TIMING: 1967000 CPU: 5702.62, 0.00290569/step Wall: 5702.62, 0.00290569/step, 2.44804 hours remaining, 209.101562 MB of memory in use. ENERGY: 1967000 749.3592 2093.7624 1959.6461 109.6572 -206611.0084 17794.0573 0.0000 0.0000 34513.6854 -149390.8408 301.4166 -183904.5262 -149298.4699 299.7050 -63.1535 -27.3555 556628.6077 14.0067 13.9349 PRESSURE: 1967200 338.196 -48.0705 -191.212 -48.0694 256.733 -143.218 -191.211 -143.219 10.8012 GPRESSURE: 1967200 357.878 -5.75495 -177.036 -188.093 353.446 -148.652 -180.734 -107.751 8.29646 PRESSAVG: 1967200 -24.9013 15.3897 6.13642 15.3896 43.2981 -1.1996 6.13643 -1.19956 7.26213 GPRESSAVG: 1967200 -24.6762 17.4527 7.13143 13.3676 43.0633 0.527037 5.46537 -2.16127 7.40527 TIMING: 1967200 CPU: 5703.19, 0.00287871/step Wall: 5703.19, 0.00287871/step, 2.42516 hours remaining, 209.101562 MB of memory in use. ENERGY: 1967200 762.9977 2061.5536 1977.8066 115.5689 -206711.2860 18264.6806 0.0000 0.0000 34242.3300 -149286.3486 299.0468 -183528.6786 -149188.0179 298.9360 201.9103 239.8736 557110.8484 8.5530 8.5974 PRESSURE: 1967400 271.859 59.7933 85.4877 59.7926 25.0697 58.2415 85.4875 58.2411 -67.6339 GPRESSURE: 1967400 299.607 240.419 30.851 7.66378 74.7325 69.0988 166.351 36.6617 -39.4578 PRESSAVG: 1967400 45.8989 -13.8902 -5.76015 -13.8902 0.258826 7.12369 -5.76026 7.12369 -81.007 GPRESSAVG: 1967400 46.0409 -15.9658 -5.91346 -13.4562 0.509499 6.0146 -5.55575 6.99442 -81.9809 TIMING: 1967400 CPU: 5703.77, 0.00287128/step Wall: 5703.77, 0.00287128/step, 2.41873 hours remaining, 209.101562 MB of memory in use. ENERGY: 1967400 771.1290 2052.9565 1969.0761 111.5644 -206476.9259 17875.6947 0.0000 0.0000 34333.8697 -149362.6355 299.8462 -183696.5052 -149269.8712 299.4423 76.4316 111.6271 555432.4882 -11.6164 -11.8102 PRESSURE: 1967600 426.117 -78.5661 -58.5183 -78.5652 427.587 118.856 -58.5172 118.856 134.145 GPRESSURE: 1967600 468.036 -57.0829 -84.7429 -81.6365 462.52 146.664 -15.8829 114.512 169.134 PRESSAVG: 1967600 19.5588 14.1837 -29.6895 14.1837 -9.40022 1.63613 -29.6896 1.63601 -23.7863 GPRESSAVG: 1967600 18.0755 13.31 -30.0316 16.0125 -9.83167 3.27485 -28.7589 1.2031 -22.1001 TIMING: 1967600 CPU: 5704.34, 0.00287059/step Wall: 5704.34, 0.00287059/step, 2.418 hours remaining, 209.101562 MB of memory in use. ENERGY: 1967600 755.0538 2131.3415 1956.4446 107.8150 -207121.0151 18381.8906 0.0000 0.0000 34510.7420 -149277.7275 301.3909 -183788.4696 -149188.2507 299.8530 329.2831 366.5632 554936.2728 -4.5426 -4.6187 PRESSURE: 1967800 118.378 -44.8889 -48.0264 -44.8886 349.003 -9.52792 -48.0262 -9.52617 186.763 GPRESSURE: 1967800 161.459 -62.09 52.9734 -27.7365 293.901 -24.744 -92.7971 18.9673 285.907 PRESSAVG: 1967800 30.7494 -16.1031 -48.8438 -16.1032 47.8923 -17.8004 -48.8437 -17.8005 -29.4179 GPRESSAVG: 1967800 29.7762 -15.4394 -47.7232 -17.3213 49.2224 -19.142 -51.1408 -16.029 -30.0987 TIMING: 1967800 CPU: 5704.92, 0.00288767/step Wall: 5704.92, 0.00288767/step, 2.43222 hours remaining, 209.101562 MB of memory in use. ENERGY: 1967800 741.9908 2127.2030 1988.7737 102.2428 -206577.1083 18177.2884 0.0000 0.0000 34261.5287 -149178.0810 299.2145 -183439.6097 -149086.2727 299.7264 218.0479 247.0891 555604.3137 16.4079 16.3000 PRESSURE: 1968000 -395.462 32.6907 52.9457 32.6902 -103.632 5.27779 52.9465 5.2777 -75.4596 GPRESSURE: 1968000 -410.257 49.9559 86.6169 16.3968 2.35968 -138.201 26.2532 47.7658 -57.1564 PRESSAVG: 1968000 -41.5848 -43.4644 24.5733 -43.4645 55.1273 -34.2822 24.5733 -34.2821 39.781 GPRESSAVG: 1968000 -40.9188 -42.4705 25.1222 -44.3709 55.0815 -33.9964 24.2042 -34.4695 39.1695 TIMING: 1968000 CPU: 5705.49, 0.00287408/step Wall: 5705.49, 0.00287408/step, 2.42062 hours remaining, 209.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1968000 764.6677 2075.5804 1966.9557 120.5747 -205595.3103 17444.0777 0.0000 0.0000 34051.2720 -149172.1821 297.3782 -183223.4541 -149079.3781 299.3427 -191.5179 -155.0179 557211.9608 17.7745 17.7774 PRESSURE: 1968200 237.241 -42.6862 -217.579 -42.685 96.5632 -112.308 -217.579 -112.308 232.555 GPRESSURE: 1968200 266.934 -123.722 -64.7773 31.4895 99.9184 -139.181 -230.843 -61.6927 286.864 PRESSAVG: 1968200 27.7974 -20.7008 -68.0048 -20.7009 6.10251 -24.8194 -68.0048 -24.8194 -21.9257 GPRESSAVG: 1968200 29.2177 -21.8517 -68.6323 -19.252 5.38386 -26.0913 -65.6899 -25.1684 -23.4026 TIMING: 1968200 CPU: 5706.07, 0.00287916/step Wall: 5706.07, 0.00287916/step, 2.42473 hours remaining, 209.101562 MB of memory in use. ENERGY: 1968200 723.9334 2116.9918 1965.9591 104.3751 -206573.0374 18151.5614 0.0000 0.0000 34255.8718 -149254.3448 299.1650 -183510.2166 -149153.1087 299.0823 188.7866 217.9054 556294.6884 3.9914 3.7330 LDB: ============= START OF LOAD BALANCING ============== 5709.45 LDB: ============== END OF LOAD BALANCING =============== 5709.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5709.45 LDB: ============= START OF LOAD BALANCING ============== 5709.74 LDB: Largest compute 4820 load 0.027370 is 23.2% of average load 0.117866 LDB: Average compute 0.001735 is 1.5% of average load 0.117866 LDB: TIME 5709.74 LOAD: AVG 0.117866 MAX 0.177657 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.832 MB LDB: TIME 5709.74 LOAD: AVG 0.117866 MAX 0.177657 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.832 MB LDB: TIME 5709.75 LOAD: AVG 0.117866 MAX 0.177657 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.832 MB LDB: ============== END OF LOAD BALANCING =============== 5709.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5709.75 PRESSURE: 1968400 258.693 -87.8138 106.846 -87.8142 190.379 -77.4277 106.848 -77.4265 53.3151 GPRESSURE: 1968400 347.611 -159.253 149.979 -89.7953 171.197 -49.0965 91.5563 -108.241 85.2293 PRESSAVG: 1968400 -19.0008 13.7501 -7.12397 13.7501 2.9946 -24.0694 -7.12397 -24.0695 23.2157 GPRESSAVG: 1968400 -18.9305 11.8088 -8.91202 14.2094 2.31913 -22.8782 -6.52367 -24.6725 23.5243 TIMING: 1968400 CPU: 5706.66, 0.00293507/step Wall: 5706.66, 0.00293507/step, 2.47165 hours remaining, 209.464844 MB of memory in use. ENERGY: 1968400 734.1477 2131.1686 1951.4638 107.2676 -206525.1882 18033.9812 0.0000 0.0000 34405.9081 -149161.2512 300.4754 -183567.1593 -149068.4251 299.5405 167.4624 201.3457 556428.2073 2.4032 2.3043 PRESSURE: 1968600 2.83865 -86.4493 1.05361 -86.4503 -233.427 69.4416 1.0524 69.4432 -14.6886 GPRESSURE: 1968600 -30.8172 -5.7506 -89.7718 -88.6001 -168.107 -17.369 30.0383 112.818 57.1763 PRESSAVG: 1968600 -34.395 -13.9947 -12.6803 -13.9947 14.2739 62.0696 -12.6803 62.0697 -0.96677 GPRESSAVG: 1968600 -35.4885 -13.2536 -10.6707 -11.9627 13.8658 61.0388 -13.5111 62.7356 0.644125 TIMING: 1968600 CPU: 5707.23, 0.00286101/step Wall: 5707.23, 0.00286101/step, 2.40913 hours remaining, 209.664062 MB of memory in use. ENERGY: 1968600 764.0638 2049.4772 1965.3826 115.8435 -206085.6713 17776.8867 0.0000 0.0000 34139.2505 -149274.7668 298.1466 -183414.0173 -149174.2910 299.2860 -81.7589 -47.2494 556323.6511 -7.0293 -6.9928 PRESSURE: 1968800 -216.75 -17.1293 140.974 -17.1286 -57.7671 -206.765 140.973 -206.763 -24.8245 GPRESSURE: 1968800 -170.943 16.574 212.036 -15.1822 -26.7859 -140.78 56.0554 -211.885 -11.3797 PRESSAVG: 1968800 -89.4234 -0.451228 77.77 -0.451263 78.4669 3.95539 77.77 3.95545 44.8326 GPRESSAVG: 1968800 -87.1839 -0.370466 78.5376 -2.70121 76.7381 5.26639 75.3685 3.46405 44.367 TIMING: 1968800 CPU: 5707.8, 0.00286642/step Wall: 5707.8, 0.00286642/step, 2.41353 hours remaining, 209.664062 MB of memory in use. ENERGY: 1968800 747.1887 2090.2304 1952.9111 113.9895 -205912.9564 17582.9156 0.0000 0.0000 34177.2808 -149248.4402 298.4787 -183425.7210 -149154.4649 299.5727 -99.7805 -69.7027 555957.4925 11.2920 11.3071 PRESSURE: 1969000 -164.581 101.952 65.9018 101.952 -116.372 41.3034 65.9027 41.3021 -385.456 GPRESSURE: 1969000 -113.792 179.408 -31.9652 113.834 -58.5818 67.5284 180.581 38.1524 -396.055 PRESSAVG: 1969000 -37.0587 -11.7295 9.35948 -11.7295 33.0059 17.0994 9.35953 17.0995 -9.75534 GPRESSAVG: 1969000 -38.2174 -11.3161 7.0948 -12.7399 33.97 14.5477 11.3227 16.0929 -9.16663 TIMING: 1969000 CPU: 5708.38, 0.00287568/step Wall: 5708.38, 0.00287568/step, 2.42116 hours remaining, 209.664062 MB of memory in use. ENERGY: 1969000 743.8496 2084.7908 1959.9463 125.4337 -206038.1267 17583.1076 0.0000 0.0000 34219.7190 -149321.2797 298.8493 -183540.9988 -149219.1724 298.9884 -222.1361 -189.4763 558344.0697 -4.6027 -4.4713 PRESSURE: 1969200 149.933 -87.8747 -28.7711 -87.8745 21.0126 191.708 -28.7716 191.709 319.545 GPRESSURE: 1969200 153.105 -124.106 14.3023 20.123 64.7228 166.834 -7.01903 216.158 367.729 PRESSAVG: 1969200 -46.9225 12.5556 10.0412 12.5556 -6.27562 18.8644 10.0412 18.8644 4.2377 GPRESSAVG: 1969200 -46.2757 11.436 11.6506 14.6328 -6.49484 21.159 9.62629 19.5618 4.0107 TIMING: 1969200 CPU: 5708.95, 0.00288907/step Wall: 5708.95, 0.00288907/step, 2.43228 hours remaining, 209.664062 MB of memory in use. ENERGY: 1969200 708.7839 2016.4714 1967.0925 111.8502 -206401.2369 17912.8568 0.0000 0.0000 34161.9837 -149522.1984 298.3451 -183684.1821 -149423.4255 298.7508 163.4968 195.1857 557231.2845 -16.3201 -16.2533 PRESSURE: 1969400 -11.0078 -59.6228 32.1466 -59.6224 -302.316 -124.78 32.1472 -124.779 -322.172 GPRESSURE: 1969400 9.12514 -14.9959 58.0131 -61.622 -278.354 -153.472 60.0484 -137.269 -254.98 PRESSAVG: 1969400 -53.3267 14.263 34.7409 14.263 15.632 -40.6535 34.741 -40.6535 65.3238 GPRESSAVG: 1969400 -53.6961 17.3938 33.5675 12.8427 16.0673 -41.875 34.5198 -40.9354 65.5063 TIMING: 1969400 CPU: 5709.53, 0.00288352/step Wall: 5709.53, 0.00288352/step, 2.42745 hours remaining, 209.664062 MB of memory in use. ENERGY: 1969400 755.2907 2138.3441 1956.6410 131.9282 -206269.8316 17497.8569 0.0000 0.0000 34342.7981 -149446.9726 299.9242 -183789.7707 -149346.9666 298.4849 -211.8322 -174.7362 556596.8781 9.2097 9.2925 PRESSURE: 1969600 -235.108 26.3278 -92.4704 26.3269 -79.7768 -29.3759 -92.4701 -29.3773 28.0483 GPRESSURE: 1969600 -155.515 -27.0518 -31.055 53.2026 -43.0082 -62.3485 -140.337 -7.78438 12.3239 PRESSAVG: 1969600 7.21659 13.4994 -0.433433 13.4993 34.7798 -38.9646 -0.433483 -38.9645 15.596 GPRESSAVG: 1969600 6.7095 11.9324 -1.71718 12.9414 34.7619 -40.0313 0.195052 -40.0889 15.7092 TIMING: 1969600 CPU: 5710.11, 0.00290982/step Wall: 5710.11, 0.00290982/step, 2.44942 hours remaining, 209.664062 MB of memory in use. ENERGY: 1969600 711.6942 2085.7374 1959.4392 126.9529 -206168.3189 17646.0290 0.0000 0.0000 34260.6351 -149377.8311 299.2066 -183638.4662 -149285.5947 299.1474 -95.6121 -62.0664 556819.4663 19.1975 19.0602 PRESSURE: 1969800 169.402 -108.662 -155.329 -108.663 106.469 16.899 -155.33 16.8972 213.779 GPRESSURE: 1969800 242.149 -166.815 -179.305 -101.49 93.0586 2.55591 -202.576 44.6085 253.702 PRESSAVG: 1969800 25.1764 -4.82765 -57.4303 -4.82767 -35.9099 41.2704 -57.4303 41.2703 -5.18183 GPRESSAVG: 1969800 25.237 -5.88888 -55.7865 -2.96357 -35.8106 42.8996 -57.3412 41.5321 -5.15387 TIMING: 1969800 CPU: 5710.69, 0.00289004/step Wall: 5710.69, 0.00289004/step, 2.43261 hours remaining, 209.664062 MB of memory in use. ENERGY: 1969800 714.9355 2090.4823 1949.2941 115.4153 -206840.0499 18161.7186 0.0000 0.0000 34268.5850 -149539.6189 299.2761 -183808.2039 -149437.4375 298.3968 163.2164 196.3029 555470.3224 -5.3051 -5.2425 PRESSURE: 1970000 97.306 -176.197 -37.5997 -176.196 -99.5306 151.156 -37.5994 151.156 -49.1662 GPRESSURE: 1970000 100.83 -150.343 -71.7031 -232.323 -26.6492 58.2302 -2.92131 160.4 -14.559 PRESSAVG: 1970000 7.87194 -6.53271 24.4532 -6.53286 -25.9939 4.46333 24.4532 4.46343 24.0452 GPRESSAVG: 1970000 7.2174 -7.12901 24.3221 -5.40718 -25.9336 3.67293 24.183 4.36932 24.9555 TIMING: 1970000 CPU: 5711.27, 0.00289717/step Wall: 5711.27, 0.00289717/step, 2.43845 hours remaining, 209.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1970000 745.1963 2067.7164 1952.8074 118.9851 -206415.0631 17856.9223 0.0000 0.0000 34253.4853 -149419.9502 299.1442 -183673.4355 -149328.7371 298.2343 -17.1303 19.8738 556696.2191 1.9744 2.0798 PRESSURE: 1970200 -125.032 18.1044 -61.3318 18.1041 -100.997 -17.5928 -61.3319 -17.5914 -73.6656 GPRESSURE: 1970200 -75.7209 5.48466 -15.3423 15.012 -98.5405 61.2005 -71.4233 -103.901 -26.7011 PRESSAVG: 1970200 -6.30869 -15.6728 -25.5264 -15.6728 18.1439 19.0506 -25.5265 19.0506 -35.415 GPRESSAVG: 1970200 -6.02035 -15.7564 -26.3702 -17.2369 18.4735 20.2565 -28.5006 20.1811 -36.2199 TIMING: 1970200 CPU: 5711.85, 0.00289735/step Wall: 5711.85, 0.00289735/step, 2.43844 hours remaining, 209.664062 MB of memory in use. ENERGY: 1970200 746.6180 2064.7194 1961.6794 121.5274 -206144.6919 17655.9557 0.0000 0.0000 34346.3379 -149247.8540 299.9551 -183594.1919 -149154.8775 299.9514 -99.8982 -66.9875 557167.3777 -7.8599 -7.9223 PRESSURE: 1970400 -212.061 5.941 124.862 5.94088 -297.98 219.249 124.862 219.251 -125.001 GPRESSURE: 1970400 -183.654 -51.4103 175.768 21.694 -248.774 140.339 122.645 222.175 -81.593 PRESSAVG: 1970400 16.165 18.2178 5.35807 18.2177 -6.46866 -0.968878 5.35806 -0.968914 14.5755 GPRESSAVG: 1970400 17.2963 17.8465 6.81009 18.84 -7.88542 -3.48734 9.7087 -1.40069 14.5361 TIMING: 1970400 CPU: 5712.43, 0.00288904/step Wall: 5712.43, 0.00288904/step, 2.43129 hours remaining, 209.664062 MB of memory in use. ENERGY: 1970400 740.8791 2093.8257 1941.7868 116.9741 -206223.3179 17678.1168 0.0000 0.0000 34515.4369 -149136.2985 301.4319 -183651.7354 -149041.1867 300.4401 -211.6808 -171.3402 559217.2722 8.0906 7.9823 PRESSURE: 1970600 57.3052 -121.583 -12.538 -121.585 -157.42 179.026 -12.538 179.027 -3.6961 GPRESSURE: 1970600 69.5389 -60.8136 -21.9525 -193.366 -165.906 98.4209 -8.18503 100.343 87.537 PRESSAVG: 1970600 10.427 -62.4205 10.3143 -62.4206 -28.7619 48.1213 10.3144 48.1212 -21.7713 GPRESSAVG: 1970600 8.85669 -59.944 8.7135 -63.7422 -27.1701 49.3507 9.68213 47.5316 -21.963 TIMING: 1970600 CPU: 5713, 0.00286819/step Wall: 5713, 0.00286819/step, 2.41358 hours remaining, 209.664062 MB of memory in use. ENERGY: 1970600 773.3933 2059.8886 1952.2988 114.0232 -206186.0919 17884.4483 0.0000 0.0000 34253.4442 -149148.5954 299.1438 -183402.0396 -149049.5241 299.5197 -34.6035 -2.9433 558115.1612 -13.3687 -13.4255 PRESSURE: 1970800 -149.322 -104.237 2.70089 -104.235 67.1506 -11.9799 2.70112 -11.9818 -42.4265 GPRESSURE: 1970800 -111.608 -21.769 17.4133 -115.734 104.452 -55.0538 3.34522 49.9022 -26.5667 PRESSAVG: 1970800 16.3649 13.2723 -27.1599 13.2723 -3.25615 0.994044 -27.1601 0.994 11.1039 GPRESSAVG: 1970800 15.8241 11.9302 -23.9649 15.5876 -2.67931 0.229542 -29.1443 2.22728 11.3757 TIMING: 1970800 CPU: 5713.58, 0.00289818/step Wall: 5713.58, 0.00289818/step, 2.43866 hours remaining, 209.664062 MB of memory in use. ENERGY: 1970800 769.8625 2099.0518 1933.8219 107.9614 -206446.2170 17972.8393 0.0000 0.0000 34309.2392 -149253.4411 299.6311 -183562.6802 -149154.7041 298.8661 -41.5328 -11.2409 559171.8074 8.0709 8.1735 PRESSURE: 1971000 96.7051 -38.494 147.438 -38.4943 100.122 4.29862 147.439 4.2995 -5.7759 GPRESSURE: 1971000 157.821 -35.4164 193.917 41.3184 117.557 86.2104 149.976 -50.6775 3.80647 PRESSAVG: 1971000 -30.9757 -34.0773 -54.3354 -34.0773 63.7735 8.53701 -54.3353 8.53702 -9.17136 GPRESSAVG: 1971000 -29.9635 -35.6363 -56.0207 -35.6546 63.8759 11.3548 -53.4905 6.03562 -10.1344 TIMING: 1971000 CPU: 5714.16, 0.00288646/step Wall: 5714.16, 0.00288646/step, 2.42863 hours remaining, 209.664062 MB of memory in use. ENERGY: 1971000 728.9302 2035.8609 1925.4552 107.2942 -206177.7252 17964.0331 0.0000 0.0000 34342.5493 -149073.6022 299.9220 -183416.1515 -148977.5172 299.0385 63.6836 93.0617 557418.5442 7.8755 7.9260 PRESSURE: 1971200 135.068 12.4104 -16.3481 12.4125 71.8769 146.245 -16.3477 146.246 -39.4212 GPRESSURE: 1971200 120.596 -25.2104 -6.70615 -18.1304 145.52 144.087 0.933787 122.075 -12.1694 PRESSAVG: 1971200 -0.0348632 10.3943 -42.1382 10.3943 -17.704 -18.6766 -42.1382 -18.6766 30.877 GPRESSAVG: 1971200 0.00773204 13.5676 -41.0494 9.94772 -18.3433 -19.1658 -43.827 -17.7192 31.334 TIMING: 1971200 CPU: 5714.73, 0.00288527/step Wall: 5714.73, 0.00288527/step, 2.42747 hours remaining, 209.664062 MB of memory in use. ENERGY: 1971200 730.0967 2154.6022 1952.2111 100.9728 -206159.1784 17779.0877 0.0000 0.0000 34340.3699 -149101.8379 299.9030 -183442.2078 -149000.2134 299.6767 55.8412 84.6486 557154.8461 4.3794 4.3328 PRESSURE: 1971400 52.9271 57.8488 -85.725 57.8488 38.7997 -137.43 -85.7251 -137.431 9.072 GPRESSURE: 1971400 80.2374 44.7831 -42.2588 73.9868 101.857 -118.28 -113.402 -79.2749 19.9601 PRESSAVG: 1971400 -2.87379 -56.94 60.7223 -56.9401 26.145 -25.1209 60.7223 -25.1208 13.7009 GPRESSAVG: 1971400 -2.70362 -58.3934 60.3165 -56.3509 25.759 -25.5546 62.8792 -25.9103 13.7441 TIMING: 1971400 CPU: 5715.31, 0.00287274/step Wall: 5715.31, 0.00287274/step, 2.41677 hours remaining, 209.664062 MB of memory in use. ENERGY: 1971400 713.0369 2088.6593 1977.4701 112.4981 -206258.0903 17894.9261 0.0000 0.0000 34431.7604 -149039.7394 300.7011 -183471.4998 -148951.2013 300.2324 33.5996 67.3513 556971.6997 12.3241 12.2665 PRESSURE: 1971600 131.276 15.8926 46.4071 15.8922 -141.504 28.0873 46.4072 28.0875 -125.318 GPRESSURE: 1971600 123.194 38.2942 120.908 33.7816 -68.0639 21.0244 9.68623 -43.3901 -90.4987 PRESSAVG: 1971600 33.3087 -5.60062 30.1026 -5.60055 -38.7901 -15.8206 30.1026 -15.8205 -28.415 GPRESSAVG: 1971600 33.0038 -5.08253 30.8769 -7.1594 -37.8461 -15.9989 30.32 -16.1306 -29.1078 TIMING: 1971600 CPU: 5715.89, 0.00288727/step Wall: 5715.89, 0.00288727/step, 2.42883 hours remaining, 209.664062 MB of memory in use. ENERGY: 1971600 744.9418 2040.2651 1939.3182 107.6698 -205948.7372 17703.6186 0.0000 0.0000 34389.1758 -149023.7479 300.3292 -183412.9236 -148926.1674 300.0301 -45.1820 -11.7897 556463.7835 -11.2988 -11.3167 PRESSURE: 1971800 68.9809 -5.57753 -100.855 -5.57733 3.7095 -58.2519 -100.855 -58.2524 -116.2 GPRESSURE: 1971800 90.0036 12.0969 -204.146 -12.1079 59.1282 -16.1758 -30.514 -59.4598 -99.0025 PRESSAVG: 1971800 -0.0518545 34.1849 14.7054 34.1849 63.6092 6.72496 14.7055 6.72502 -17.5201 GPRESSAVG: 1971800 1.4548 34.6266 13.5883 34.477 61.8511 6.87336 14.7412 8.21309 -17.1962 TIMING: 1971800 CPU: 5716.46, 0.0028797/step Wall: 5716.46, 0.0028797/step, 2.42231 hours remaining, 209.664062 MB of memory in use. ENERGY: 1971800 770.2970 2102.9614 1949.3307 113.8187 -206419.9865 17879.1128 0.0000 0.0000 34551.9163 -149052.5497 301.7505 -183604.4660 -148955.5273 299.9415 -14.5033 16.7098 557591.0743 15.3458 15.3699 PRESSURE: 1972000 -10.6737 117.156 25.6789 117.157 37.9324 -193.155 25.6803 -193.156 11.5821 GPRESSURE: 1972000 -6.30665 116.387 81.2744 93.2138 108.517 -115.718 1.89024 -288.529 44.2872 PRESSAVG: 1972000 36.4765 5.56281 30.7469 5.56286 29.9125 -6.91283 30.7469 -6.91276 -44.7807 GPRESSAVG: 1972000 35.3131 4.09498 33.1632 7.00394 31.6168 -9.6178 28.6463 -6.26188 -45.4631 TIMING: 1972000 CPU: 5717.04, 0.00287407/step Wall: 5717.04, 0.00287407/step, 2.41741 hours remaining, 209.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1972000 757.0563 2080.1134 1967.7707 105.4857 -205818.0076 17742.1401 0.0000 0.0000 34217.6604 -148947.7811 298.8313 -183165.4415 -148843.2562 300.2092 12.9469 48.8326 557317.4751 7.2027 7.1556 PRESSURE: 1972200 33.7661 43.8145 -20.2083 43.8148 -21.7463 -43.1648 -20.2095 -43.1665 13.5768 GPRESSURE: 1972200 63.1103 136.153 -16.5566 42.0733 -4.03738 -29.6211 13.0864 -73.0351 61.0926 PRESSAVG: 1972200 -2.9603 63.7785 16.6731 63.7786 30.1171 40.1156 16.673 40.1156 -64.7181 GPRESSAVG: 1972200 -3.87141 64.9305 14.6415 62.4543 29.2613 42.7078 17.5717 39.8192 -63.363 TIMING: 1972200 CPU: 5717.62, 0.0028971/step Wall: 5717.62, 0.0028971/step, 2.43662 hours remaining, 209.867188 MB of memory in use. ENERGY: 1972200 759.1003 2064.9689 1974.7506 123.5749 -205878.4778 17846.0196 0.0000 0.0000 34228.6317 -148881.4318 298.9272 -183110.0635 -148792.7486 300.2879 8.5322 40.0552 557881.2490 -12.5204 -12.6577 LDB: ============= START OF LOAD BALANCING ============== 5721 LDB: ============== END OF LOAD BALANCING =============== 5721 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5721 LDB: ============= START OF LOAD BALANCING ============== 5721.29 LDB: Largest compute 4792 load 0.024733 is 21.0% of average load 0.117901 LDB: Average compute 0.001726 is 1.5% of average load 0.117901 LDB: TIME 5721.29 LOAD: AVG 0.117901 MAX 0.180595 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.301 MB LDB: TIME 5721.29 LOAD: AVG 0.117901 MAX 0.180595 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.531 MB LDB: TIME 5721.29 LOAD: AVG 0.117901 MAX 0.180595 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.531 MB LDB: ============== END OF LOAD BALANCING =============== 5721.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5721.3 PRESSURE: 1972400 202.861 -17.942 131.103 -17.9432 -40.0381 18.252 131.103 18.2502 73.5295 GPRESSURE: 1972400 225.711 -69.3062 228.617 84.287 0.506179 -72.4019 53.5637 15.9942 108.468 PRESSAVG: 1972400 47.5664 2.4036 -5.83709 2.40359 -58.8828 -17.1208 -5.8371 -17.1207 28.192 GPRESSAVG: 1972400 47.7566 1.6502 -5.96061 4.84946 -58.5539 -17.2545 -5.78295 -18.99 27.5479 TIMING: 1972400 CPU: 5718.21, 0.00294119/step Wall: 5718.21, 0.00294119/step, 2.47354 hours remaining, 208.359375 MB of memory in use. ENERGY: 1972400 751.5932 2086.2023 1955.7328 116.2827 -205792.8263 17730.7715 0.0000 0.0000 34280.6892 -148871.5546 299.3818 -183152.2438 -148773.4007 300.2764 78.7841 111.5617 559078.7903 5.6252 5.5835 PRESSURE: 1972600 181.455 32.6656 59.5575 32.6667 -23.097 -2.03583 59.5577 -2.03524 17.0088 GPRESSURE: 1972600 181.848 78.3478 38.093 7.71349 23.3342 -16.2978 105.134 -57.113 70.0737 PRESSAVG: 1972600 9.43698 19.7759 -5.43328 19.776 -52.0114 4.571 -5.43318 4.57112 -3.42092 GPRESSAVG: 1972600 8.21772 18.8666 -6.14577 18.9029 -51.9332 5.80233 -5.27227 4.8699 -2.81844 TIMING: 1972600 CPU: 5718.78, 0.00288557/step Wall: 5718.78, 0.00288557/step, 2.42661 hours remaining, 208.558594 MB of memory in use. ENERGY: 1972600 766.3827 2087.9679 1961.9981 133.9343 -206169.7134 17985.0663 0.0000 0.0000 34236.8146 -148997.5495 298.9986 -183234.3641 -148903.9394 300.2936 58.4556 91.7520 558406.3694 -15.3318 -15.5113 PRESSURE: 1972800 58.8862 102.511 -246.008 102.509 -15.291 -47.886 -246.008 -47.8856 185.949 GPRESSURE: 1972800 152.054 104.865 -237.587 119.354 7.1878 -27.9702 -176.294 -60.0566 155.034 PRESSAVG: 1972800 3.54633 -26.744 -2.53571 -26.744 46.5079 -21.6454 -2.53567 -21.6454 -47.159 GPRESSAVG: 1972800 3.39837 -25.6329 -0.488323 -28.8088 46.4855 -25.6962 -2.4232 -20.2098 -47.3725 TIMING: 1972800 CPU: 5719.36, 0.00290532/step Wall: 5719.36, 0.00290532/step, 2.44305 hours remaining, 208.558594 MB of memory in use. ENERGY: 1972800 738.0404 2095.4855 1954.0045 113.8901 -206197.6826 17842.7813 0.0000 0.0000 34291.6526 -149161.8282 299.4775 -183453.4808 -149063.6353 299.6410 76.5146 104.7586 556973.5418 0.9651 0.8371 PRESSURE: 1973000 80.2264 83.889 -124.006 83.8895 41.3146 69.6915 -124.005 69.6907 -76.406 GPRESSURE: 1973000 133.126 136.304 -189.204 154.857 43.7077 17.183 -140.918 117.069 -38.9909 PRESSAVG: 1973000 -6.61687 53.5865 28.0162 53.5865 -11.9954 -9.1713 28.0162 -9.17112 -19.6827 GPRESSAVG: 1973000 -6.25075 54.569 25.604 54.9101 -13.1031 -9.536 28.2252 -9.14963 -18.9716 TIMING: 1973000 CPU: 5719.94, 0.00290149/step Wall: 5719.94, 0.00290149/step, 2.43967 hours remaining, 208.558594 MB of memory in use. ENERGY: 1973000 751.6032 2087.7835 1972.5249 107.4845 -206358.9402 17843.8618 0.0000 0.0000 34314.6386 -149281.0436 299.6783 -183595.6822 -149182.2037 299.0288 15.0450 45.9476 557719.7348 -12.7650 -12.7751 PRESSURE: 1973200 125.745 32.065 58.4209 32.0641 -159.48 21.5648 58.4204 21.5637 -168.999 GPRESSURE: 1973200 119.11 -0.0563423 15.5521 35.1427 -129.4 -40.1819 67.388 -7.39254 -90.0804 PRESSAVG: 1973200 -2.07228 19.7572 3.10601 19.7572 -47.3102 -35.7153 3.10594 -35.7154 63.4695 GPRESSAVG: 1973200 -1.78124 18.9851 4.46607 20.6587 -47.4614 -33.2921 2.91007 -37.3192 63.0443 TIMING: 1973200 CPU: 5720.52, 0.00288366/step Wall: 5720.52, 0.00288366/step, 2.42452 hours remaining, 208.558594 MB of memory in use. ENERGY: 1973200 746.7945 2099.7450 1950.6996 119.2165 -206242.5795 17801.3028 0.0000 0.0000 34246.7604 -149278.0608 299.0855 -183524.8212 -149179.3466 299.0800 -67.5783 -33.4569 558364.8537 4.6957 4.6005 PRESSURE: 1973400 37.1056 -165.047 142.039 -165.048 -237.947 79.7538 142.04 79.7534 -18.3598 GPRESSURE: 1973400 120.844 -125.611 59.7176 -148.888 -218.693 -2.40615 169.384 139.491 -23.386 PRESSAVG: 1973400 40.8426 -19.2102 -11.6801 -19.2102 -73.1467 -23.3085 -11.6802 -23.3086 36.5343 GPRESSAVG: 1973400 39.1338 -18.1947 -14.8085 -21.0773 -72.0223 -24.431 -9.48753 -21.7509 36.7645 TIMING: 1973400 CPU: 5721.1, 0.0029035/step Wall: 5721.1, 0.0029035/step, 2.44104 hours remaining, 208.558594 MB of memory in use. ENERGY: 1973400 773.1800 2064.4616 1973.5885 106.4460 -206209.5834 17706.1927 0.0000 0.0000 34192.7549 -149392.9597 298.6138 -183585.7146 -149299.2959 299.4211 -73.0670 -40.4116 558618.0233 1.4101 1.2920 PRESSURE: 1973600 191.495 -23.9806 87.7728 -23.9819 -94.1586 -59.6653 87.7726 -59.6639 -59.8332 GPRESSURE: 1973600 168.315 -42.1831 72.3543 -81.3799 -15.0704 -28.5776 96.7058 -50.364 -26.5843 PRESSAVG: 1973600 44.6995 15.1241 10.6172 15.1241 -25.2761 10.2867 10.6172 10.2867 6.05831 GPRESSAVG: 1973600 46.2473 15.652 12.2669 15.8027 -25.9455 11.1821 10.5506 11.3922 5.29509 TIMING: 1973600 CPU: 5721.68, 0.00290555/step Wall: 5721.68, 0.00290555/step, 2.4426 hours remaining, 208.558594 MB of memory in use. ENERGY: 1973600 767.1700 2129.6130 1962.1757 114.5326 -206746.8840 18011.0583 0.0000 0.0000 34397.6350 -149364.6994 300.4031 -183762.3344 -149268.0092 298.7266 12.5011 42.2200 557608.1748 8.4939 8.5323 PRESSURE: 1973800 -400.064 -109.785 9.65902 -109.785 -200.656 49.2262 9.65749 49.2272 -451.33 GPRESSURE: 1973800 -371.992 -94.9047 96.8094 -125.256 -159.281 -22.9805 -25.9333 61.8473 -405.86 PRESSAVG: 1973800 15.632 4.6368 11.8875 4.63684 0.625265 0.504745 11.8875 0.50483 -45.8961 GPRESSAVG: 1973800 16.224 3.12243 12.7756 3.92304 0.340917 1.06804 9.90953 -3.22103 -46.6139 TIMING: 1973800 CPU: 5722.26, 0.00288811/step Wall: 5722.26, 0.00288811/step, 2.42778 hours remaining, 208.558594 MB of memory in use. ENERGY: 1973800 781.8493 2109.8509 1960.8230 115.3072 -205660.7881 17409.2077 0.0000 0.0000 34215.4286 -149068.3215 298.8118 -183283.7501 -148956.4766 299.1408 -350.6835 -312.3774 559452.6411 -9.8796 -10.0163 PRESSURE: 1974000 119.574 174.885 5.92371 174.886 307.311 -140.901 5.92227 -140.901 30.5562 GPRESSURE: 1974000 157.631 157.874 62.7111 157.906 343.4 -160.889 46.3306 -109.56 62.5327 PRESSAVG: 1974000 -4.32549 4.847 -26.339 4.84695 -45.2294 -6.69338 -26.3389 -6.69329 31.3341 GPRESSAVG: 1974000 -5.27389 4.58681 -25.7132 4.99093 -44.9177 -8.13997 -25.7125 -6.62083 32.0566 TIMING: 1974000 CPU: 5722.84, 0.0029064/step Wall: 5722.84, 0.0029064/step, 2.44299 hours remaining, 208.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1974000 743.5539 2120.3113 1973.9616 105.0793 -206597.7223 18140.4628 0.0000 0.0000 34290.1802 -149224.1732 299.4647 -183514.3534 -149135.9031 299.1159 152.4801 187.8546 558468.1798 -6.0736 -6.0450 PRESSURE: 1974200 5.70797 29.8074 48.7391 29.8084 157.963 -133.871 48.7386 -133.872 339.749 GPRESSURE: 1974200 69.5213 90.6585 84.7595 34.7833 205.385 -78.1202 25.3435 -240.059 322.677 PRESSAVG: 1974200 -61.6406 68.0569 7.47051 68.0569 37.3496 -25.3829 7.47052 -25.3829 -14.3166 GPRESSAVG: 1974200 -62.5154 68.0794 7.30448 69.3075 37.6111 -24.6941 7.10113 -24.7124 -14.1109 TIMING: 1974200 CPU: 5723.42, 0.00289723/step Wall: 5723.42, 0.00289723/step, 2.43512 hours remaining, 208.761719 MB of memory in use. ENERGY: 1974200 761.7144 2066.5556 1955.8356 109.2909 -206674.8395 18254.8280 0.0000 0.0000 34365.6503 -149160.9647 300.1238 -183526.6150 -149070.4763 298.8695 167.8066 199.1947 558281.0430 -12.8692 -13.0051 PRESSURE: 1974400 -260.176 -288.981 -63.8192 -288.981 92.8324 57.8104 -63.8205 57.8102 -67.9879 GPRESSURE: 1974400 -216.97 -207.628 -98.14 -256.308 86.9524 92.9514 -6.45607 31.428 -12.8358 PRESSAVG: 1974400 -60.2449 -46.7235 19.1933 -46.7235 -20.674 -24.8152 19.1933 -24.8151 85.2146 GPRESSAVG: 1974400 -60.2812 -46.083 19.0669 -47.2144 -21.0925 -23.8399 18.7498 -24.3926 85.5532 TIMING: 1974400 CPU: 5724, 0.00290609/step Wall: 5724, 0.00290609/step, 2.4424 hours remaining, 208.972656 MB of memory in use. ENERGY: 1974400 722.9742 2103.8103 1957.1947 106.7935 -206181.0404 17614.8338 0.0000 0.0000 34410.8479 -149264.5861 300.5185 -183675.4340 -149169.1306 299.2086 -78.4437 -47.6178 558222.3745 1.4319 1.3932 PRESSURE: 1974600 -97.0143 -149.448 -1.75401 -149.448 -144.509 -41.3616 -1.75409 -41.3633 -149.326 GPRESSURE: 1974600 -111.673 -57.4187 -53.7951 -216.513 -126.399 -85.4411 65.9814 -35.012 -65.2016 PRESSAVG: 1974600 8.9585 -35.9239 -6.14009 -35.9238 -21.1728 -15.5236 -6.14002 -15.5236 45.2878 GPRESSAVG: 1974600 9.63712 -35.5703 -6.92994 -35.468 -20.3093 -16.9282 -3.98617 -16.1282 43.4219 TIMING: 1974600 CPU: 5724.58, 0.0029052/step Wall: 5724.58, 0.0029052/step, 2.4415 hours remaining, 208.972656 MB of memory in use. ENERGY: 1974600 733.0293 2176.9460 1939.7493 104.3075 -206203.1861 17747.1182 0.0000 0.0000 34167.8390 -149334.1968 298.3962 -183502.0358 -149243.5194 299.0049 -130.2830 -101.0912 559154.9626 11.0245 10.9166 PRESSURE: 1974800 -155.667 -130.023 -162.394 -130.022 -3.37608 -19.2089 -162.394 -19.2084 14.473 GPRESSURE: 1974800 -143.035 -139.039 -128.373 -30.8721 54.7458 -9.904 -123.248 32.3103 33.3299 PRESSAVG: 1974800 20.8503 -42.1656 -43.3136 -42.1657 -36.7619 42.1972 -43.3136 42.1971 51.1389 GPRESSAVG: 1974800 21.0865 -43.5374 -42.2816 -42.869 -37.7224 42.9974 -44.967 44.7123 51.4224 TIMING: 1974800 CPU: 5725.17, 0.00292561/step Wall: 5725.17, 0.00292561/step, 2.45849 hours remaining, 208.972656 MB of memory in use. ENERGY: 1974800 769.0372 2076.0609 1953.0031 121.6384 -206290.0589 17922.2269 0.0000 0.0000 34192.2666 -149255.8258 298.6096 -183448.0924 -149157.8723 299.2840 -48.1899 -18.3198 559316.2462 11.7424 11.5955 PRESSURE: 1975000 202.339 21.5937 -152.01 21.5932 -70.1332 61.7487 -152.01 61.7499 63.1803 GPRESSURE: 1975000 238.096 53.9685 -226.277 -88.7448 -136.886 36.902 -126.469 27.0824 189.501 PRESSAVG: 1975000 -42.026 -1.45014 1.43327 -1.45016 18.95 -10.3452 1.43318 -10.3451 10.3746 GPRESSAVG: 1975000 -41.93 1.28879 2.51698 -3.47454 19.2263 -10.1133 0.781465 -12.3129 9.86337 TIMING: 1975000 CPU: 5725.75, 0.00291228/step Wall: 5725.75, 0.00291228/step, 2.44712 hours remaining, 208.972656 MB of memory in use. ENERGY: 1975000 764.4907 2162.2812 1959.5046 106.0597 -206820.7015 18136.3468 0.0000 0.0000 34382.3583 -149309.6602 300.2697 -183692.0186 -149214.4180 298.9943 65.1287 96.9035 558389.6926 -4.2338 -4.2801 PRESSURE: 1975200 115.121 -193.859 36.2426 -193.86 30.6308 -71.692 36.243 -71.6914 -3.0909 GPRESSURE: 1975200 124.579 -231.527 112.734 -263.291 113.756 -47.7605 -7.8617 7.14444 12.3314 PRESSAVG: 1975200 16.6641 -54.5527 -56.299 -54.5527 -10.4884 44.8719 -56.299 44.8718 38.5984 GPRESSAVG: 1975200 15.7638 -54.6271 -60.1524 -54.2193 -10.4105 43.4996 -53.7478 45.5508 39.3303 TIMING: 1975200 CPU: 5726.33, 0.00288458/step Wall: 5726.33, 0.00288458/step, 2.42369 hours remaining, 208.972656 MB of memory in use. ENERGY: 1975200 745.6167 2039.2722 1922.5433 104.6827 -206799.1797 18219.9577 0.0000 0.0000 34343.8119 -149423.2952 299.9331 -183767.1071 -149323.3178 299.1237 47.5537 83.5556 558688.1086 14.9247 14.8945 PRESSURE: 1975400 -95.0847 -143.743 14.7695 -143.742 -69.9757 64.5967 14.7684 64.5974 -399.626 GPRESSURE: 1975400 -99.1532 -72.714 -26.0583 -216.279 -54.5254 103.202 -3.48152 16.9186 -305.758 PRESSAVG: 1975400 -15.3068 -49.8264 -55.8186 -49.8264 69.7277 33.6798 -55.8185 33.6798 -28.5617 GPRESSAVG: 1975400 -14.8199 -50.1133 -53.9497 -49.8527 67.8385 34.4325 -59.0961 34.8378 -27.7793 TIMING: 1975400 CPU: 5726.9, 0.00287559/step Wall: 5726.9, 0.00287559/step, 2.41597 hours remaining, 208.972656 MB of memory in use. ENERGY: 1975400 734.0468 2110.8149 1912.6798 119.6726 -205997.0959 17571.3757 0.0000 0.0000 34181.1852 -149367.3209 298.5128 -183548.5061 -149273.3790 298.7983 -188.2287 -153.1455 558036.6811 8.6197 8.4131 PRESSURE: 1975600 -163.182 -135.085 -9.99464 -135.085 222.534 -164.508 -9.99495 -164.508 -144.35 GPRESSURE: 1975600 -99.0833 -57.4044 -51.2924 -132.343 239.479 -155.566 29.8048 -97.8742 -119.273 PRESSAVG: 1975600 -56.0734 -80.0131 -39.6447 -80.0131 95.3037 4.93018 -39.6447 4.93025 -58.1388 GPRESSAVG: 1975600 -56.507 -79.7777 -39.2959 -79.9885 97.1156 4.92902 -37.251 1.99613 -59.9648 TIMING: 1975600 CPU: 5727.48, 0.00288864/step Wall: 5727.48, 0.00288864/step, 2.42678 hours remaining, 208.972656 MB of memory in use. ENERGY: 1975600 737.9291 2132.9712 1929.0160 109.3089 -206271.8491 17922.7612 0.0000 0.0000 34215.0039 -149224.8587 298.8081 -183439.8627 -149125.4236 298.4347 -28.3328 7.0408 557432.2572 -6.3029 -6.4521 PRESSURE: 1975800 219.437 -112.548 -53.5004 -112.548 -82.2973 76.0468 -53.5012 76.0469 43.8802 GPRESSURE: 1975800 302.762 -65.2936 -1.79835 -33.5659 -65.6955 49.2809 -70.2698 164.112 45.8933 PRESSAVG: 1975800 -25.3452 7.00039 -46.1615 7.00042 28.8836 -2.07836 -46.1616 -2.07843 -4.3005 GPRESSAVG: 1975800 -24.6519 5.55136 -45.3364 8.72644 28.4373 -0.721109 -47.3278 -1.67262 -3.88812 TIMING: 1975800 CPU: 5728.06, 0.00288157/step Wall: 5728.06, 0.00288157/step, 2.42068 hours remaining, 208.972656 MB of memory in use. ENERGY: 1975800 706.4723 2091.1745 1937.7779 132.4786 -206228.7462 17934.4118 0.0000 0.0000 34263.9526 -149162.4785 299.2356 -183426.4312 -149067.1288 299.2793 60.3398 94.3200 558188.5015 -0.2540 -0.0342 PRESSURE: 1976000 -148.846 58.787 100.032 58.7877 -61.8525 187.803 100.031 187.803 -310.874 GPRESSURE: 1976000 -82.9894 14.9031 74.2078 121.673 20.032 254.495 52.2089 87.0613 -354.37 PRESSAVG: 1976000 2.60004 -1.63129 -65.7251 -1.63122 14.8406 22.0119 -65.7251 22.0119 -33.6992 GPRESSAVG: 1976000 2.79436 -2.9935 -67.5207 -2.03505 14.9752 21.7874 -63.2435 21.9193 -33.6478 TIMING: 1976000 CPU: 5728.63, 0.00288341/step Wall: 5728.63, 0.00288341/step, 2.42206 hours remaining, 208.972656 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: 1976000 745.2459 2039.1632 1951.3896 110.9077 -206132.1150 17669.4775 0.0000 0.0000 34404.6588 -149211.2724 300.4644 -183615.9313 -149112.0088 299.3721 -173.8575 -139.1093 558575.8576 -5.4195 -5.2927 PRESSURE: 1976200 118.947 -123.569 -153.658 -123.568 -141.296 -37.683 -153.658 -37.6817 57.8524 GPRESSURE: 1976200 85.2586 -178.769 -96.6905 -27.2272 -103.136 -153.431 -197.683 -42.1096 144.794 PRESSAVG: 1976200 18.0236 17.6788 -38.4466 17.6789 0.537135 36.7708 -38.4466 36.7708 -0.393129 GPRESSAVG: 1976200 17.4588 18.2013 -36.2917 18.6605 0.0140087 32.4158 -40.511 39.2963 0.332777 TIMING: 1976200 CPU: 5729.2, 0.00283831/step Wall: 5729.2, 0.00283831/step, 2.38402 hours remaining, 208.972656 MB of memory in use. ENERGY: 1976200 744.7365 2091.9006 1949.7797 108.9858 -205936.2590 17624.8227 0.0000 0.0000 34097.3294 -149318.7043 297.7805 -183416.0337 -149224.0148 298.7208 11.8344 42.3058 557623.2028 6.0559 5.9352 LDB: ============= START OF LOAD BALANCING ============== 5732.58 LDB: ============== END OF LOAD BALANCING =============== 5732.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5732.58 LDB: ============= START OF LOAD BALANCING ============== 5732.87 LDB: Largest compute 4820 load 0.025328 is 21.5% of average load 0.118006 LDB: Average compute 0.001731 is 1.5% of average load 0.118006 LDB: TIME 5732.87 LOAD: AVG 0.118006 MAX 0.179197 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.852 MB LDB: TIME 5732.87 LOAD: AVG 0.118006 MAX 0.179197 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.859 MB LDB: TIME 5732.87 LOAD: AVG 0.118006 MAX 0.179197 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.859 MB LDB: ============== END OF LOAD BALANCING =============== 5732.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5732.88 PRESSURE: 1976400 47.7782 -50.9406 59.8512 -50.9417 -245.329 -76.6701 59.852 -76.6698 -54.7331 GPRESSURE: 1976400 59.194 18.521 50.4405 -77.6788 -178.994 -76.7992 87.4585 -80.9958 -5.92926 PRESSAVG: 1976400 -6.47937 -40.1218 -15.5618 -40.1218 20.5531 -18.0131 -15.5618 -18.0131 -6.97827 GPRESSAVG: 1976400 -7.4156 -39.8307 -16.6513 -40.0655 22.1539 -13.6341 -14.6095 -20.0134 -7.02071 TIMING: 1976400 CPU: 5729.78, 0.00291999/step Wall: 5729.78, 0.00291999/step, 2.45247 hours remaining, 211.058594 MB of memory in use. ENERGY: 1976400 743.5003 2115.7630 1950.1673 106.4884 -206095.7569 17597.1119 0.0000 0.0000 34150.1747 -149432.5513 298.2420 -183582.7260 -149328.6918 298.8291 -84.0946 -41.9098 555865.6363 2.3652 2.5725 PRESSURE: 1976600 261.441 50.5524 -85.5895 50.5537 290.042 -69.3797 -85.5901 -69.3785 73.7882 GPRESSURE: 1976600 292.517 64.4017 -48.2716 73.6772 283.802 -104.768 -78.5882 -63.3583 133.593 PRESSAVG: 1976600 -42.6665 11.1356 30.2388 11.1355 5.67879 18.428 30.2388 18.428 24.0234 GPRESSAVG: 1976600 -42.0438 11.514 29.6989 10.0125 5.16648 15.6087 29.5242 18.2674 24.1515 TIMING: 1976600 CPU: 5730.37, 0.00290587/step Wall: 5730.37, 0.00290587/step, 2.44044 hours remaining, 211.128906 MB of memory in use. ENERGY: 1976600 748.4174 2046.3228 1972.0533 114.0912 -206587.6485 18074.1485 0.0000 0.0000 34200.7712 -149431.8440 298.6838 -183632.6153 -149338.6066 298.7585 208.4235 236.6373 554246.1614 -4.3214 -4.2420 PRESSURE: 1976800 179.155 37.3709 193.909 37.3722 -117.182 -21.7714 193.911 -21.7705 110.607 GPRESSURE: 1976800 202.257 56.994 248.236 67.6876 -39.4565 13.4341 189.588 2.456 108.016 PRESSAVG: 1976800 -6.45788 4.16838 69.1342 4.16843 -2.72321 -5.99349 69.1342 -5.9935 23.3621 GPRESSAVG: 1976800 -7.25347 3.87803 70.1409 6.18388 -1.71774 -5.1872 70.1663 -3.13765 23.2533 TIMING: 1976800 CPU: 5730.94, 0.00288245/step Wall: 5730.94, 0.00288245/step, 2.42061 hours remaining, 211.128906 MB of memory in use. ENERGY: 1976800 785.1793 2144.4800 1930.4536 112.3059 -206576.3320 18094.9563 0.0000 0.0000 34032.4345 -149476.5225 297.2137 -183508.9569 -149385.8412 298.9603 57.5265 90.2720 558170.1339 4.7270 4.7607 PRESSURE: 1977000 54.5351 -74.9349 95.1646 -74.9351 252.119 37.0888 95.1644 37.0905 102.46 GPRESSURE: 1977000 75.1047 -38.6085 106.532 -147.755 296.018 -22.6945 90.974 52.0847 127.712 PRESSAVG: 1977000 -11.9618 -53.853 -7.7876 -53.8529 -27.482 72.1159 -7.7875 72.116 15.1121 GPRESSAVG: 1977000 -12.2477 -53.0544 -7.71576 -54.4991 -27.5446 72.2453 -8.29993 68.3865 15.6708 TIMING: 1977000 CPU: 5731.52, 0.00287896/step Wall: 5731.52, 0.00287896/step, 2.41753 hours remaining, 211.128906 MB of memory in use. ENERGY: 1977000 728.0344 2102.9359 1925.1930 128.4049 -206614.4073 18101.5083 0.0000 0.0000 34072.6514 -149555.6793 297.5649 -183628.3307 -149454.1370 298.3712 136.3714 166.2782 556376.1272 -8.1106 -8.0405 PRESSURE: 1977200 -529.458 -11.8204 -3.25793 -11.8198 236.581 -182.675 -3.25803 -182.676 34.2661 GPRESSURE: 1977200 -445.851 27.7883 23.2677 -46.0956 212.057 -221.165 18.2419 -193.902 71.4191 PRESSAVG: 1977200 -63.4156 -19.9422 13.723 -19.9423 3.43951 -62.2484 13.723 -62.2484 66.2458 GPRESSAVG: 1977200 -61.5722 -22.8136 10.6709 -16.7056 2.96135 -62.8077 14.9622 -61.1556 65.0427 TIMING: 1977200 CPU: 5732.09, 0.00288072/step Wall: 5732.09, 0.00288072/step, 2.41884 hours remaining, 211.128906 MB of memory in use. ENERGY: 1977200 721.2058 2109.3878 1948.5745 111.8443 -205971.4459 17514.2454 0.0000 0.0000 34138.7244 -149427.4635 298.1420 -183566.1879 -149338.2305 298.6725 -86.2036 -54.1248 557853.6351 2.0899 2.1439 PRESSURE: 1977400 211.394 43.3914 -93.3566 43.3911 -62.8765 85.4571 -93.3549 85.4577 -39.085 GPRESSURE: 1977400 216.047 58.3598 -96.4049 59.4251 -1.18125 115.313 -130.706 104.626 -13.7315 PRESSAVG: 1977400 -58.9871 -24.727 -52.8516 -24.727 31.6625 -88.4998 -52.8516 -88.4997 13.7341 GPRESSAVG: 1977400 -60.5313 -22.3938 -49.215 -27.8997 32.5089 -85.7247 -52.5235 -89.9112 14.0829 TIMING: 1977400 CPU: 5732.67, 0.0028697/step Wall: 5732.67, 0.0028697/step, 2.40943 hours remaining, 211.128906 MB of memory in use. ENERGY: 1977400 710.5382 2068.1815 1959.8396 102.6069 -206441.3336 17906.3563 0.0000 0.0000 34329.8452 -149363.9659 299.8111 -183693.8111 -149274.5056 298.6782 36.4775 67.0446 557979.2445 -4.5302 -4.6465 PRESSURE: 1977600 64.2612 -206.98 -125.837 -206.98 -65.5654 96.4289 -125.838 96.4279 -158.86 GPRESSURE: 1977600 141.239 -277.748 -91.6671 -144.855 -71.8235 149.825 -164.593 102.322 -119.978 PRESSAVG: 1977600 -7.6513 -87.7909 -32.4642 -87.7909 36.1945 0.710135 -32.4642 0.710123 -43.0259 GPRESSAVG: 1977600 -7.17962 -88.3815 -33.6328 -86.9324 34.6393 -2.7599 -33.7513 2.96931 -42.002 TIMING: 1977600 CPU: 5733.24, 0.00288154/step Wall: 5733.24, 0.00288154/step, 2.41922 hours remaining, 211.128906 MB of memory in use. ENERGY: 1977600 746.7465 2116.2273 1943.2291 115.6833 -206165.1300 17817.1194 0.0000 0.0000 34038.1620 -149387.9625 297.2637 -183426.1245 -149298.7984 298.2094 -53.3882 -16.8544 557499.6124 -4.8275 -4.8474 PRESSURE: 1977800 -176.473 108.043 -18.0201 108.042 -199.464 54.0077 -18.0188 54.0064 -58.0684 GPRESSURE: 1977800 -64.0305 76.1247 -9.88983 73.5283 -206.483 55.9863 -1.23786 62.0642 -58.2016 PRESSAVG: 1977800 59.8457 7.70294 43.4267 7.70293 -17.0044 17.5304 43.4266 17.5303 -82.3671 GPRESSAVG: 1977800 59.9118 8.2841 42.3331 5.14318 -16.8271 18.8156 43.4493 16.9282 -82.6721 TIMING: 1977800 CPU: 5733.82, 0.00288946/step Wall: 5733.82, 0.00288946/step, 2.4257 hours remaining, 211.128906 MB of memory in use. ENERGY: 1977800 733.3686 2066.7421 1935.5273 98.3887 -206019.2717 17722.7889 0.0000 0.0000 34269.5600 -149192.8961 299.2846 -183462.4561 -149092.6825 299.6534 -144.6685 -109.5719 558051.1677 -13.1753 -13.1958 PRESSURE: 1978000 -3.02726 -180.655 -35.3723 -180.654 103.785 -18.1644 -35.3712 -18.1637 291.59 GPRESSURE: 1978000 76.1373 -144.148 -46.5946 -86.5814 96.3816 -122.965 60.8167 80.9364 292.601 PRESSAVG: 1978000 -10.197 -21.9815 57.2025 -21.9816 -4.47104 32.5851 57.2025 32.5851 6.414 GPRESSAVG: 1978000 -11.4379 -19.7494 59.8094 -20.6283 -3.6948 33.8187 56.3311 31.2422 5.95787 TIMING: 1978000 CPU: 5734.4, 0.00289296/step Wall: 5734.4, 0.00289296/step, 2.42848 hours remaining, 211.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1978000 728.8970 2109.1680 1946.9524 127.6171 -206524.8037 17982.8347 0.0000 0.0000 34329.8693 -149299.4652 299.8113 -183629.3345 -149197.4294 299.2699 130.7826 155.0399 557179.2925 -2.7513 -3.0583 PRESSURE: 1978200 181.221 78.9158 32.9732 78.9161 100.611 142.807 32.9737 142.807 117.594 GPRESSURE: 1978200 245.145 88.0957 -19.4885 79.7788 142.1 144.734 160.424 182.157 93.3192 PRESSAVG: 1978200 15.7286 -0.684093 52.7255 -0.683998 28.6689 6.29075 52.7256 6.29073 -31.8185 GPRESSAVG: 1978200 16.6021 -3.76898 51.0872 -0.663953 27.7929 6.26223 53.8225 7.36526 -31.7732 TIMING: 1978200 CPU: 5734.98, 0.00289439/step Wall: 5734.98, 0.00289439/step, 2.42952 hours remaining, 211.128906 MB of memory in use. ENERGY: 1978200 781.2348 2078.2339 1980.5701 112.2073 -206609.3305 18127.7802 0.0000 0.0000 34351.6615 -149177.6426 300.0016 -183529.3041 -149080.4146 299.6392 133.1419 160.1880 556493.1235 4.1930 4.2073 PRESSURE: 1978400 70.2052 -11.1908 44.1161 -11.1928 -90.4582 -31.6043 44.1175 -31.6054 11.9894 GPRESSURE: 1978400 114.019 -23.2998 65.2606 -39.1059 -121.328 14.7585 51.6615 -58.5223 89.4173 PRESSAVG: 1978400 98.3305 -51.8202 36.9392 -51.8201 -21.5201 7.29518 36.9392 7.29518 -50.505 GPRESSAVG: 1978400 98.5452 -51.7495 36.526 -53.3703 -22.2875 7.07112 35.9088 6.9398 -49.9448 TIMING: 1978400 CPU: 5735.56, 0.00288074/step Wall: 5735.56, 0.00288074/step, 2.4179 hours remaining, 211.128906 MB of memory in use. ENERGY: 1978400 787.0597 2052.5441 1938.3893 119.1178 -206381.3021 17813.1626 0.0000 0.0000 34531.3243 -149139.7042 301.5706 -183671.0286 -149046.5026 299.8477 -2.7545 27.3695 556965.4280 8.7685 8.7710 PRESSURE: 1978600 -220.056 22.076 -221.079 22.0759 -104.984 -19.5827 -221.08 -19.5819 -182.458 GPRESSURE: 1978600 -138.327 -29.4974 -199.983 66.8749 -124.288 -110.796 -161.907 -82.938 -150.314 PRESSAVG: 1978600 1.87558 -17.2192 -8.10991 -17.2191 -7.85963 -5.60441 -8.10984 -5.60446 -32.706 GPRESSAVG: 1978600 0.596678 -17.5913 -6.52844 -15.0086 -6.79843 -4.21805 -6.42071 -5.57496 -32.3914 TIMING: 1978600 CPU: 5736.14, 0.00290075/step Wall: 5736.14, 0.00290075/step, 2.43454 hours remaining, 211.128906 MB of memory in use. ENERGY: 1978600 768.2738 2118.1759 1969.9058 107.8485 -206188.6921 17679.4728 0.0000 0.0000 34336.5105 -149208.5049 299.8693 -183545.0153 -149106.4777 299.6342 -169.1664 -137.6433 557549.8291 -12.8967 -12.8644 PRESSURE: 1978800 -66.2513 -135.466 -116.673 -135.465 -462.949 56.857 -116.673 56.8578 207.303 GPRESSURE: 1978800 21.3078 -142.153 -113.493 -76.0941 -373.325 59.5227 -168.493 45.1104 126.363 PRESSAVG: 1978800 -24.7114 -42.341 -12.8724 -42.3408 -14.8911 36.2134 -12.8725 36.2134 85.1455 GPRESSAVG: 1978800 -22.4823 -42.8412 -13.8721 -40.1889 -16.0621 34.2646 -15.071 36.7743 83.9206 TIMING: 1978800 CPU: 5736.72, 0.00290307/step Wall: 5736.72, 0.00290307/step, 2.43632 hours remaining, 211.128906 MB of memory in use. ENERGY: 1978800 769.5700 2070.0470 1955.2480 126.5440 -206317.1220 17901.6020 0.0000 0.0000 34194.3223 -149299.7887 298.6275 -183494.1109 -149213.9640 299.4257 -107.2991 -75.2179 559609.1033 15.1810 15.1254 PRESSURE: 1979000 -54.3209 193.602 -0.693173 193.599 -88.969 65.2663 -0.691577 65.2655 -50.6614 GPRESSURE: 1979000 -54.7631 186.911 148.212 222.404 -25.8277 -5.19447 -24.5745 78.7486 -19.6206 PRESSAVG: 1979000 -0.514007 50.5689 10.2603 50.5691 -66.4442 14.2284 10.2602 14.2283 97.8377 GPRESSAVG: 1979000 -2.22021 51.9981 11 48.4179 -65.2361 14.3621 11.7155 13.0328 98.5731 TIMING: 1979000 CPU: 5737.3, 0.00290983/step Wall: 5737.3, 0.00290983/step, 2.44183 hours remaining, 211.128906 MB of memory in use. ENERGY: 1979000 735.2087 2104.3311 1990.9701 122.9490 -206196.3784 17807.7238 0.0000 0.0000 34338.3766 -149096.8191 299.8856 -183435.1957 -149001.7291 298.5682 -64.6504 -33.4038 558732.7780 10.2932 10.3722 PRESSURE: 1979200 -100.789 -3.64973 95.7779 -3.64775 -140.67 -68.927 95.7773 -68.9276 166.967 GPRESSURE: 1979200 -54.1807 -42.2847 89.9154 -30.3552 -144.925 -153.099 88.2052 37.9927 213.66 PRESSAVG: 1979200 16.862 83.2069 -15.3378 83.207 -13.0144 -24.2964 -15.3378 -24.2965 2.482 GPRESSAVG: 1979200 18.3864 84.0707 -16.7532 82.8946 -14.203 -23.9821 -15.1442 -23.8185 2.91088 TIMING: 1979200 CPU: 5737.88, 0.00292579/step Wall: 5737.88, 0.00292579/step, 2.45506 hours remaining, 211.128906 MB of memory in use. ENERGY: 1979200 728.3033 2032.1034 1946.4497 101.0691 -206128.3852 17805.8952 0.0000 0.0000 34100.6410 -149413.9236 297.8094 -183514.5646 -149320.9649 298.9613 -24.8305 4.8512 559878.9658 2.1099 2.3648 PRESSURE: 1979400 64.4182 -82.592 -34.7373 -82.5928 27.9185 5.03006 -34.7379 5.03021 43.2965 GPRESSURE: 1979400 55.7757 -93.0162 -32.8874 -67.0834 94.8 91.9469 -75.2916 -42.7713 78.3158 PRESSAVG: 1979400 -72.6259 13.8342 -8.73366 13.8341 19.577 -61.7061 -8.73367 -61.7061 21.1974 GPRESSAVG: 1979400 -73.0738 13.7091 -7.15457 12.7216 21.097 -59.9026 -9.98313 -60.4498 20.8106 TIMING: 1979400 CPU: 5738.47, 0.00290616/step Wall: 5738.47, 0.00290616/step, 2.43843 hours remaining, 211.128906 MB of memory in use. ENERGY: 1979400 720.7065 2028.2737 1933.9987 109.9185 -206330.8535 17834.8852 0.0000 0.0000 34217.2443 -149485.8267 298.8277 -183703.0710 -149384.7223 298.2329 45.2111 76.2971 557214.0800 -10.6172 -10.3888 PRESSURE: 1979600 -62.7984 -174 53.8984 -173.999 -95.9672 121.298 53.8985 121.3 186.88 GPRESSURE: 1979600 -10.3624 -184.714 45.1232 -121.162 -77.8643 2.65584 10.2761 103.561 199.049 PRESSAVG: 1979600 18.8916 13.0606 0.167241 13.0608 -10.2925 6.6399 0.167307 6.63991 -15.63 GPRESSAVG: 1979600 19.5013 11.5534 -1.6927 14.7482 -10.4017 5.5271 0.224969 4.70397 -15.9371 TIMING: 1979600 CPU: 5739.04, 0.00288297/step Wall: 5739.04, 0.00288297/step, 2.41882 hours remaining, 211.128906 MB of memory in use. ENERGY: 1979600 730.9229 2067.1416 1929.3969 120.5950 -206144.9293 17777.6363 0.0000 0.0000 33985.3822 -149533.8544 296.8028 -183519.2366 -149444.5221 298.3577 9.3715 36.9408 558755.1790 -2.3436 -2.2792 PRESSURE: 1979800 -72.539 120.986 26.818 120.987 304.3 -26.374 26.8178 -26.3734 -122.654 GPRESSURE: 1979800 -35.7535 91.7534 -29.1993 101.671 320.862 -28.3765 28.2114 -40.7932 -77.2341 PRESSAVG: 1979800 8.01658 -0.627505 5.12253 -0.627472 33.8384 15.8574 5.12249 15.8574 -32.0439 GPRESSAVG: 1979800 8.80589 0.0769104 6.76832 -2.99541 32.6614 14.4106 3.5721 16.5317 -31.6782 TIMING: 1979800 CPU: 5739.62, 0.00288609/step Wall: 5739.62, 0.00288609/step, 2.42127 hours remaining, 211.128906 MB of memory in use. ENERGY: 1979800 736.4952 2025.0709 1965.2975 127.2414 -206492.4267 17930.9527 0.0000 0.0000 34130.3566 -149577.0125 298.0689 -183707.3691 -149485.9865 297.6325 36.3689 69.2916 557914.7664 3.2704 3.2630 PRESSURE: 1980000 -146.382 113.65 18.7981 113.651 -43.0585 24.8027 18.7982 24.8017 47.9988 GPRESSURE: 1980000 -162.037 125.965 69.9913 51.1715 -37.7021 31.1131 -11.4388 25.0551 159.747 PRESSAVG: 1980000 9.54802 34.2242 -11.575 34.2243 21.7039 -20.5951 -11.5751 -20.595 9.70871 GPRESSAVG: 1980000 9.57497 32.6304 -9.78906 37.3014 21.3125 -19.6575 -10.0674 -20.0863 10.049 TIMING: 1980000 CPU: 5740.2, 0.00291143/step Wall: 5740.2, 0.00291143/step, 2.44237 hours remaining, 211.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1980000 711.8401 2114.7014 1947.3652 112.2209 -206543.2813 17855.9797 0.0000 0.0000 34306.9397 -149494.2344 299.6110 -183801.1741 -149396.9985 298.8589 -47.1474 -13.3307 558458.0776 13.6535 13.6455 PRESSURE: 1980200 -101.964 -110.337 -5.90813 -110.336 -7.44365 -39.147 -5.90783 -39.1462 -140.191 GPRESSURE: 1980200 -83.9666 -117.049 -28.9749 -186.217 45.2368 -6.74605 41.4897 29.2002 -121.326 PRESSAVG: 1980200 22.6473 -21.789 40.1583 -21.7889 16.7679 26.0631 40.1583 26.0632 -42.6335 GPRESSAVG: 1980200 20.9847 -22.377 37.9672 -21.5475 16.9964 29.4969 40.8293 26.0071 -41.2592 TIMING: 1980200 CPU: 5740.78, 0.0028708/step Wall: 5740.78, 0.0028708/step, 2.40813 hours remaining, 211.128906 MB of memory in use. ENERGY: 1980200 760.2307 2078.6660 1959.0664 127.8463 -206360.3401 17826.5716 0.0000 0.0000 34033.8988 -149574.0602 297.2265 -183607.9590 -149480.0530 298.2465 -83.1994 -53.3521 556627.7993 -1.0728 -1.0927 LDB: ============= START OF LOAD BALANCING ============== 5744.16 LDB: ============== END OF LOAD BALANCING =============== 5744.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5744.16 LDB: ============= START OF LOAD BALANCING ============== 5744.45 LDB: Largest compute 4820 load 0.024055 is 20.4% of average load 0.117971 LDB: Average compute 0.001729 is 1.5% of average load 0.117971 LDB: TIME 5744.45 LOAD: AVG 0.117971 MAX 0.179469 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.859 MB LDB: TIME 5744.45 LOAD: AVG 0.117971 MAX 0.179469 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: TIME 5744.45 LOAD: AVG 0.117971 MAX 0.179469 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5744.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5744.46 PRESSURE: 1980400 -240.018 3.53407 -31.0064 3.53304 -182.712 -68.1332 -31.0046 -68.1342 -143.365 GPRESSURE: 1980400 -234.731 -7.01213 79.9786 66.9573 -115.779 -56.3522 -22.3065 -137.342 -123.907 PRESSAVG: 1980400 21.8505 -52.1746 25.7875 -52.1745 -36.143 -43.0126 25.7875 -43.0126 -8.03013 GPRESSAVG: 1980400 23.4379 -51.285 26.2909 -54.6737 -36.7402 -45.2474 26.5902 -41.606 -9.09637 TIMING: 1980400 CPU: 5741.36, 0.00293369/step Wall: 5741.36, 0.00293369/step, 2.46072 hours remaining, 209.144531 MB of memory in use. ENERGY: 1980400 736.1505 2087.1272 1947.6710 114.3543 -205990.8589 17555.4060 0.0000 0.0000 34161.3050 -149388.8447 298.3392 -183550.1497 -149292.7052 298.8947 -188.6981 -158.1389 558750.7900 -7.4409 -7.4662 PRESSURE: 1980600 101.771 -81.7296 77.0815 -81.7293 -125.17 78.0167 77.0807 78.0159 319.692 GPRESSURE: 1980600 133.455 -61.6771 132.678 -60.9123 -64.2199 19.5781 109.549 141.95 321.124 PRESSAVG: 1980600 -16.0409 -61.1196 -25.6012 -61.1195 -59.181 6.94686 -25.6012 6.94701 88.2589 GPRESSAVG: 1980600 -15.8181 -59.4888 -26.0038 -61.1889 -58.1485 6.46385 -26.0526 5.81242 87.4003 TIMING: 1980600 CPU: 5741.94, 0.00288367/step Wall: 5741.94, 0.00288367/step, 2.4186 hours remaining, 209.402344 MB of memory in use. ENERGY: 1980600 766.5413 2113.9770 1931.4845 110.6023 -206350.5701 17972.0000 0.0000 0.0000 34017.6538 -149438.3113 297.0846 -183455.9651 -149340.7390 298.6731 98.7641 130.1197 557314.8662 4.3457 4.4779 PRESSURE: 1980800 -282.549 -29.4022 -65.2281 -29.403 -122.313 -116.64 -65.23 -116.639 197.755 GPRESSURE: 1980800 -160.69 -39.9317 7.01194 -16.0844 -81.0825 -52.1534 8.64996 -187.88 134.575 PRESSAVG: 1980800 -55.4076 -12.6222 18.8934 -12.6222 15.4632 -14.5506 18.8934 -14.5508 44.1985 GPRESSAVG: 1980800 -54.9814 -12.9791 19.3625 -12.4397 15.8123 -15.4395 18.1732 -16.0712 43.6042 TIMING: 1980800 CPU: 5742.52, 0.00290386/step Wall: 5742.52, 0.00290386/step, 2.43537 hours remaining, 209.402344 MB of memory in use. ENERGY: 1980800 758.2597 2090.7756 1939.7851 100.8268 -206415.3935 17860.1390 0.0000 0.0000 34247.1765 -149418.4308 299.0891 -183665.6073 -149325.4910 299.1771 -69.0356 -35.7325 558270.9653 1.4180 1.4784 PRESSURE: 1981000 -113.741 -104.887 32.4812 -104.887 -115.274 -164.477 32.4803 -164.476 181.978 GPRESSURE: 1981000 -44.4258 -35.0586 12.3733 -119.339 -91.8678 -273.624 47.0922 -136.873 174.415 PRESSAVG: 1981000 -22.5731 -38.4673 -17.2045 -38.4673 -11.6831 -30.2282 -17.2046 -30.2283 15.3162 GPRESSAVG: 1981000 -23.7324 -37.7085 -16.0052 -37.8582 -11.8356 -30.0842 -15.4861 -29.1173 16.2642 TIMING: 1981000 CPU: 5743.1, 0.00290705/step Wall: 5743.1, 0.00290705/step, 2.43789 hours remaining, 209.402344 MB of memory in use. ENERGY: 1981000 776.6475 2136.2596 1953.6885 121.5506 -206743.0304 17834.2373 0.0000 0.0000 34503.8195 -149416.8273 301.3304 -183920.6468 -149322.6070 298.8809 -15.6790 12.7072 556433.4561 -6.3133 -6.4346 PRESSURE: 1981200 -130.292 -58.6886 -4.11469 -58.6874 4.94059 -39.1499 -4.11505 -39.1504 -1.03521 GPRESSURE: 1981200 -71.5008 -108.612 11.6615 19.5145 17.349 -32.7048 51.6416 -68.995 27.4218 PRESSAVG: 1981200 23.7417 2.306 -17.4226 2.30594 9.48035 -57.1774 -17.4226 -57.1774 -17.3852 GPRESSAVG: 1981200 24.0486 0.447275 -20.6943 2.86463 9.66308 -57.0754 -18.0176 -55.7713 -18.0233 TIMING: 1981200 CPU: 5743.68, 0.00287912/step Wall: 5743.68, 0.00287912/step, 2.4143 hours remaining, 209.402344 MB of memory in use. ENERGY: 1981200 787.1917 2114.0838 1931.1036 113.5177 -206373.4155 17814.7987 0.0000 0.0000 34205.1567 -149407.5633 298.7221 -183612.7200 -149316.7716 299.3306 -42.1290 -8.9100 557945.9098 5.2790 5.2295 PRESSURE: 1981400 -281.189 -116.775 -142.723 -116.775 -62.9271 -95.949 -142.722 -95.951 124.121 GPRESSURE: 1981400 -199.319 -158.774 -128.477 -89.4185 -110.678 -107.361 -81.4628 -82.018 187.566 PRESSAVG: 1981400 -1.98952 26.2327 -31.0513 26.2327 10.305 -11.5507 -31.0513 -11.5507 13.5105 GPRESSAVG: 1981400 -3.43947 26.7676 -29.7001 25.3038 10.8111 -12.0811 -30.5301 -12.021 14.3801 TIMING: 1981400 CPU: 5744.25, 0.00287951/step Wall: 5744.25, 0.00287951/step, 2.41447 hours remaining, 209.402344 MB of memory in use. ENERGY: 1981400 783.1483 2091.5856 1958.5890 114.3264 -206514.5232 17871.4404 0.0000 0.0000 34394.7332 -149300.7003 300.3778 -183695.4335 -149203.8475 298.8524 -73.3317 -40.8105 557371.2101 7.2753 7.2506 PRESSURE: 1981600 166.149 76.847 28.3197 76.8453 250.003 95.6199 28.3197 95.6188 438.025 GPRESSURE: 1981600 265.337 108.705 -21.3017 -12.0871 241.039 123.737 20.319 91.6632 445.627 PRESSAVG: 1981600 -37.0017 -6.8615 -46.8526 -6.86159 -8.55807 10.8954 -46.8527 10.8953 65.485 GPRESSAVG: 1981600 -36.417 -6.1472 -48.6948 -7.16883 -8.35674 10.3492 -46.8326 11.7042 65.2452 TIMING: 1981600 CPU: 5744.83, 0.00288246/step Wall: 5744.83, 0.00288246/step, 2.41678 hours remaining, 209.402344 MB of memory in use. ENERGY: 1981600 739.0250 2086.2426 1950.5959 122.9680 -207123.0281 18519.6802 0.0000 0.0000 34289.7189 -149414.7975 299.4606 -183704.5164 -149317.4619 299.1192 284.7259 317.3343 557147.4242 6.6417 6.8238 PRESSURE: 1981800 95.9968 52.3135 37.0424 52.3132 -7.89034 -8.25692 37.0431 -8.25562 -47.992 GPRESSURE: 1981800 131.128 31.4327 13.0078 0.390958 4.4394 -79.9306 71.6719 -11.4201 16.2333 PRESSAVG: 1981800 -25.0323 10.2976 -18.0975 10.2977 -9.76367 14.1679 -18.0974 14.168 63.0343 GPRESSAVG: 1981800 -24.1242 10.3089 -17.4869 10.3573 -10.5254 15.6638 -18.9478 12.9977 62.4362 TIMING: 1981800 CPU: 5745.41, 0.00288568/step Wall: 5745.41, 0.00288568/step, 2.41933 hours remaining, 209.402344 MB of memory in use. ENERGY: 1981800 762.6743 2106.6905 1954.9525 112.1448 -206840.3979 18082.3827 0.0000 0.0000 34179.5006 -149642.0525 298.4981 -183821.5531 -149549.7374 298.2513 13.3715 50.6001 557261.5835 9.4128 9.2622 PRESSURE: 1982000 -105.17 256.143 -21.5 256.142 -11.3106 -98.8408 -21.4992 -98.8407 129.679 GPRESSURE: 1982000 -47.7426 149.123 26.5658 214.64 25.4271 -82.3112 -69.9872 -42.3308 148.679 PRESSAVG: 1982000 -42.9308 -16.9036 41.186 -16.9038 -10.8893 20.0443 41.186 20.0444 74.5933 GPRESSAVG: 1982000 -43.2862 -16.474 42.4301 -17.6607 -11.1152 19.4545 42.7639 20.9104 75.3659 TIMING: 1982000 CPU: 5745.99, 0.00291901/step Wall: 5745.99, 0.00291901/step, 2.4471 hours remaining, 209.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1982000 738.4599 2050.1597 1971.6859 122.0160 -206355.5470 17870.7203 0.0000 0.0000 34184.7558 -149417.7493 298.5440 -183602.5051 -149319.9403 298.1107 4.3996 42.1210 556500.6406 6.9244 6.9882 PRESSURE: 1982200 22.5406 -24.6481 10.3165 -24.6476 -25.4814 -32.2485 10.3156 -32.2471 234.308 GPRESSURE: 1982200 104.978 -8.93688 6.31516 -47.5918 2.30003 -57.7589 34.3119 -33.1372 230.862 PRESSAVG: 1982200 -32.918 50.3835 47.0973 50.3836 -56.8985 -73.3474 47.0971 -73.3474 116.68 GPRESSAVG: 1982200 -33.4477 49.9944 46.542 50.6393 -56.3332 -72.0682 46.467 -74.0636 117.127 TIMING: 1982200 CPU: 5746.57, 0.00289179/step Wall: 5746.57, 0.00289179/step, 2.42413 hours remaining, 209.476562 MB of memory in use. ENERGY: 1982200 705.9143 2190.2354 1957.5725 111.7586 -206120.2483 17694.3413 0.0000 0.0000 34173.7547 -149286.6715 298.4479 -183460.4262 -149200.3847 299.2898 77.1225 112.7134 556881.3908 8.9545 9.1155 PRESSURE: 1982400 238.819 -67.465 -49.3 -67.4656 -133.866 73.9611 -49.3016 73.9612 -45.6123 GPRESSURE: 1982400 257.687 -164.886 -63.695 -5.81742 -77.2946 90.5305 -49.9486 84.2381 -31.7776 PRESSAVG: 1982400 27.429 8.99502 -22.6249 8.99501 -83.9796 25.0686 -22.6249 25.0684 44.2171 GPRESSAVG: 1982400 27.1035 9.52152 -22.2315 9.22642 -84.6932 25.1671 -22.6263 24.1504 44.9783 TIMING: 1982400 CPU: 5747.15, 0.00289658/step Wall: 5747.15, 0.00289658/step, 2.42798 hours remaining, 209.476562 MB of memory in use. ENERGY: 1982400 765.8597 2080.6541 1963.7981 112.7768 -206380.1231 17985.6626 0.0000 0.0000 34100.3530 -149371.0188 297.8069 -183471.3718 -149268.9861 298.5374 19.7802 49.5382 557090.9438 -4.1112 -4.2038 PRESSURE: 1982600 -233.693 -11.0318 -177.456 -11.0312 -204.997 -113.342 -177.456 -113.344 -149.953 GPRESSURE: 1982600 -148.1 42.0415 -126.222 -42.759 -231.777 -92.4854 -199.598 -124.051 -112.283 PRESSAVG: 1982600 23.913 35.1798 -12.3261 35.1798 -2.2667 19.7854 -12.326 19.7855 14.3089 GPRESSAVG: 1982600 23.371 35.1599 -10.2398 36.2455 -0.69441 19.269 -13.9146 20.9402 13.9987 TIMING: 1982600 CPU: 5747.72, 0.0028836/step Wall: 5747.72, 0.0028836/step, 2.41693 hours remaining, 209.476562 MB of memory in use. ENERGY: 1982600 769.5756 2071.5024 1961.3725 118.2098 -206118.5742 17719.7730 0.0000 0.0000 34124.9603 -149353.1805 298.0218 -183478.1408 -149256.1532 298.6763 -196.2143 -164.0535 558378.6133 11.9851 12.2251 PRESSURE: 1982800 -343.728 -85.5737 -201.11 -85.5728 -99.5901 -133.744 -201.109 -133.743 124.741 GPRESSURE: 1982800 -305.185 -62.2304 -159.949 -75.2577 -62.6581 -141.584 -190.022 -62.6983 135.793 PRESSAVG: 1982800 -46.1656 29.4372 -22.0167 29.4373 -17.4752 10.1996 -22.0166 10.1996 29.6988 GPRESSAVG: 1982800 -45.6973 31.1004 -22.1203 27.893 -17.8952 10.6111 -23.1992 8.06237 29.227 TIMING: 1982800 CPU: 5748.31, 0.00290504/step Wall: 5748.31, 0.00290504/step, 2.43475 hours remaining, 209.476562 MB of memory in use. ENERGY: 1982800 758.0279 2100.3192 1974.2920 115.1250 -206303.6931 17736.6472 0.0000 0.0000 34203.6398 -149415.6420 298.7089 -183619.2819 -149317.0587 299.0956 -106.1922 -77.3500 558505.3288 -11.3140 -11.4552 PRESSURE: 1983000 135.586 108.729 -59.8316 108.728 106.541 -43.1563 -59.8312 -43.1555 -323.646 GPRESSURE: 1983000 136.151 78.3401 -13.9021 211.554 132.31 -51.4863 -70.1863 61.1053 -239.682 PRESSAVG: 1983000 22.9615 21.2031 -39.428 21.2031 -11.841 -2.80174 -39.428 -2.80164 29.9778 GPRESSAVG: 1983000 23.699 17.4311 -41.816 23.4555 -11.28 -1.97707 -38.2872 -1.97177 28.5138 TIMING: 1983000 CPU: 5748.88, 0.00287925/step Wall: 5748.88, 0.00287925/step, 2.41297 hours remaining, 209.476562 MB of memory in use. ENERGY: 1983000 735.0957 2108.1154 1970.1170 109.2458 -206405.9951 17833.6744 0.0000 0.0000 34227.9292 -149421.8177 298.9210 -183649.7469 -149324.9463 298.6747 -27.1730 9.5932 556520.1294 13.6994 13.6443 PRESSURE: 1983200 -164.267 -43.4064 -39.8389 -43.4072 201.659 199.374 -39.8388 199.373 185.856 GPRESSURE: 1983200 -100.193 12.1729 -34.4182 -13.5838 215.671 214.626 -83.7095 163.438 204.668 PRESSAVG: 1983200 7.12302 65.2852 22.6671 65.2851 45.6063 82.6073 22.6671 82.6073 -58.9709 GPRESSAVG: 1983200 5.81594 66.4413 21.396 62.8173 46.3636 82.3833 24.4761 83.8154 -57.7951 TIMING: 1983200 CPU: 5749.46, 0.0028911/step Wall: 5749.46, 0.00289109/step, 2.42274 hours remaining, 209.476562 MB of memory in use. ENERGY: 1983200 733.2910 2027.5695 1952.5119 120.3989 -206268.0507 17956.9696 0.0000 0.0000 34072.9901 -149404.3197 297.5679 -183477.3098 -149310.9249 298.9495 74.4161 106.7154 557386.7005 -2.0805 -1.8719 PRESSURE: 1983400 -262.854 74.6595 -183.161 74.6586 -179.774 18.5803 -183.163 18.5812 -136.136 GPRESSURE: 1983400 -214.337 67.3068 -124.526 18.1942 -133.744 26.3844 -148.014 -34.7343 -126.227 PRESSAVG: 1983400 2.94394 33.2371 0.23465 33.237 8.36951 11.0307 0.234618 11.0307 3.89239 GPRESSAVG: 1983400 3.18823 33.5428 2.75052 33.5387 7.70698 10.1164 -2.14686 8.65404 4.14581 TIMING: 1983400 CPU: 5750.04, 0.00289106/step Wall: 5750.04, 0.00289106/step, 2.42255 hours remaining, 209.476562 MB of memory in use. ENERGY: 1983400 722.7795 2065.5324 1959.8479 114.3638 -206127.6654 17512.9903 0.0000 0.0000 34259.6592 -149492.4923 299.1981 -183752.1515 -149393.7464 298.2490 -192.9214 -158.1030 557300.9173 5.0686 5.0137 PRESSURE: 1983600 -46.098 -3.22145 -201.081 -3.22138 105.445 72.3386 -201.081 72.3394 -182.171 GPRESSURE: 1983600 -38.3336 1.70902 -256.286 -45.0808 106.205 79.6714 -86.1258 100.989 -80.7532 PRESSAVG: 1983600 29.9637 -1.91054 16.9293 -1.9105 22.9456 -16.197 16.9293 -16.1969 -9.58956 GPRESSAVG: 1983600 30.2347 -0.684315 15.0022 -0.842346 23.0827 -15.6873 18.7991 -14.4589 -9.84893 TIMING: 1983600 CPU: 5750.62, 0.0028988/step Wall: 5750.62, 0.0028988/step, 2.42887 hours remaining, 209.476562 MB of memory in use. ENERGY: 1983600 751.1205 2080.5889 1953.7718 115.0450 -206472.9067 17808.7058 0.0000 0.0000 34312.8289 -149450.8457 299.6625 -183763.6746 -149348.4046 298.4102 -40.9416 -4.2941 557906.2079 14.4399 14.4895 PRESSURE: 1983800 -303.331 -191.257 45.9013 -191.256 -314.603 18.4631 45.9015 18.4633 44.2506 GPRESSURE: 1983800 -261.162 -187.35 38.7901 -176.599 -250.729 36.5968 61.9066 -81.2681 44.588 PRESSAVG: 1983800 8.59218 -21.2429 63.837 -21.2428 -10.886 -23.8139 63.837 -23.814 23.7077 GPRESSAVG: 1983800 9.1479 -22.9771 62.491 -21.8474 -11.1077 -23.8972 64.5811 -24.2279 23.2774 TIMING: 1983800 CPU: 5751.2, 0.00289237/step Wall: 5751.2, 0.00289237/step, 2.42332 hours remaining, 209.476562 MB of memory in use. ENERGY: 1983800 756.3282 2076.0055 1943.5200 118.9752 -206303.0156 17695.5343 0.0000 0.0000 34206.2894 -149506.3629 298.7320 -183712.6523 -149417.1555 298.9917 -191.2278 -155.7676 558224.6417 7.1380 7.1059 PRESSURE: 1984000 -115.203 118.902 174.844 118.902 -24.3864 -8.81621 174.844 -8.8151 195.557 GPRESSURE: 1984000 -26.8992 52.0372 74.9237 122.65 -34.2611 -44.7486 201.447 17.2637 224.487 PRESSAVG: 1984000 -26.8588 -12.2002 14.6495 -12.2002 -25.0448 19.0141 14.6496 19.0142 -5.8532 GPRESSAVG: 1984000 -25.533 -11.0819 16.444 -12.2892 -26.3884 21.2508 11.5432 19.7036 -6.05924 TIMING: 1984000 CPU: 5751.77, 0.00286538/step Wall: 5751.77, 0.00286538/step, 2.40055 hours remaining, 209.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1984000 745.4189 2123.4858 1955.8931 115.9131 -206445.9092 17860.7705 0.0000 0.0000 34227.7754 -149416.6524 298.9197 -183644.4278 -149317.5337 298.1293 18.6558 54.4422 557284.8873 -19.2523 -19.3269 PRESSURE: 1984200 -210.576 -70.5917 128.619 -70.5903 -29.7871 -104.307 128.619 -104.307 -119.569 GPRESSURE: 1984200 -173.652 9.21423 36.3213 -64.5866 31.6847 -128.18 81.3214 -81.8993 -113.988 PRESSAVG: 1984200 -5.33915 14.7339 5.64931 14.7338 92.8297 -51.0225 5.64921 -51.0225 -24.6421 GPRESSAVG: 1984200 -6.45096 13.4432 3.25211 15.9812 93.6283 -53.0907 8.70421 -51.8694 -23.6413 TIMING: 1984200 CPU: 5752.35, 0.00288627/step Wall: 5752.35, 0.00288627/step, 2.41789 hours remaining, 209.476562 MB of memory in use. ENERGY: 1984200 750.0750 2067.9006 1969.0129 109.0638 -206360.4078 17745.6525 0.0000 0.0000 34251.8304 -149466.8727 299.1298 -183718.7031 -149374.8370 298.3018 -119.9775 -85.3185 558850.1197 20.9495 21.1787 LDB: ============= START OF LOAD BALANCING ============== 5755.73 LDB: ============== END OF LOAD BALANCING =============== 5755.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5755.73 LDB: ============= START OF LOAD BALANCING ============== 5756.02 LDB: Largest compute 4820 load 0.023296 is 19.7% of average load 0.117982 LDB: Average compute 0.001726 is 1.5% of average load 0.117982 LDB: TIME 5756.03 LOAD: AVG 0.117982 MAX 0.178325 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.668 MB LDB: TIME 5756.03 LOAD: AVG 0.117982 MAX 0.178325 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.668 MB LDB: TIME 5756.03 LOAD: AVG 0.117982 MAX 0.178325 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5756.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5756.03 PRESSURE: 1984400 -140.021 84.636 41.5386 84.6369 -231.477 -38.0074 41.5376 -38.0059 -70.9926 GPRESSURE: 1984400 -81.4892 138.641 -43.5126 3.84084 -260.28 92.1991 24.0703 -95.1607 2.77856 PRESSAVG: 1984400 -39.1393 -1.59543 39.9433 -1.59541 63.2259 -4.24799 39.9433 -4.248 -15.5389 GPRESSAVG: 1984400 -38.5973 0.954599 40.7162 -2.36403 63.1694 -2.57625 37.0034 -5.76622 -15.7904 TIMING: 1984400 CPU: 5752.94, 0.00294739/step Wall: 5752.94, 0.00294739/step, 2.46893 hours remaining, 209.441406 MB of memory in use. ENERGY: 1984400 766.9102 2104.3019 1945.5531 104.3594 -206413.5846 17762.3969 0.0000 0.0000 34247.4101 -149482.6530 299.0912 -183730.0631 -149387.9417 298.8345 -147.4966 -112.9970 556763.4290 2.8493 2.9273 PRESSURE: 1984600 -6.7804 -101.614 43.4886 -101.616 -44.2219 54.0438 43.4879 54.0441 67.6728 GPRESSURE: 1984600 71.9647 -48.0805 113.933 -99.3236 -67.1532 35.6817 -54.7052 160.266 107.004 PRESSAVG: 1984600 87.0493 13.7471 -11.2628 13.7472 15.0059 -19.3017 -11.2628 -19.3017 -12.6869 GPRESSAVG: 1984600 86.8636 12.3496 -10.0585 12.9363 14.5052 -19.9304 -11.0424 -17.8001 -12.2598 TIMING: 1984600 CPU: 5753.51, 0.00288985/step Wall: 5753.51, 0.00288985/step, 2.42057 hours remaining, 209.441406 MB of memory in use. ENERGY: 1984600 729.9620 2117.7411 1936.6516 101.2202 -206650.5996 18000.3444 0.0000 0.0000 34322.2248 -149442.4555 299.7445 -183764.6803 -149347.9921 298.9415 5.5568 37.2720 557220.2740 29.7894 29.7030 PRESSURE: 1984800 -91.8859 -4.41264 30.607 -4.41425 110.932 51.9942 30.6071 51.9947 160.715 GPRESSURE: 1984800 -19.0241 73.9896 -25.1758 -88.0606 148.075 -17.2461 76.2319 59.9118 149.484 PRESSAVG: 1984800 16.7719 0.362262 -12.1516 0.362263 -51.6695 -22.4503 -12.1516 -22.4504 15.8797 GPRESSAVG: 1984800 15.7954 0.317466 -12.5664 -0.581039 -50.935 -19.7919 -10.4514 -23.7777 16.2038 TIMING: 1984800 CPU: 5754.09, 0.00287566/step Wall: 5754.09, 0.00287566/step, 2.40852 hours remaining, 209.441406 MB of memory in use. ENERGY: 1984800 712.2636 2077.6061 1956.7710 114.8306 -206273.4045 17902.8659 0.0000 0.0000 34212.2832 -149296.7842 298.7844 -183509.0674 -149200.2683 299.1710 59.9204 92.8448 556315.0522 -6.3393 -6.3119 PRESSURE: 1985000 35.1906 14.9006 -115.743 14.9013 -300.945 105.011 -115.743 105.011 47.7955 GPRESSURE: 1985000 -13.2646 32.6665 -106.774 23.7036 -202.66 100.013 -72.3161 90.0833 99.9111 PRESSAVG: 1985000 -9.36132 15.9234 -4.0624 15.9235 -116.259 7.45343 -4.06239 7.45335 136.065 GPRESSAVG: 1985000 -8.96542 13.9092 -3.17677 17.3918 -115.752 6.7809 -5.64448 7.45978 135.638 TIMING: 1985000 CPU: 5754.67, 0.00291185/step Wall: 5754.67, 0.00291185/step, 2.43867 hours remaining, 209.441406 MB of memory in use. ENERGY: 1985000 763.2088 2103.4576 1961.3915 122.3355 -206167.1068 17725.7751 0.0000 0.0000 34149.9933 -149340.9450 298.2404 -183490.9383 -149246.0258 299.4962 -72.6530 -38.6711 557021.3483 3.4817 3.6401 PRESSURE: 1985200 173.985 -17.875 -161.789 -17.8757 5.55208 -56.1177 -161.789 -56.1179 -74.8651 GPRESSURE: 1985200 206.356 -73.5852 -123.568 -49.7385 116.644 -77.0989 -217.533 -80.0262 -121.056 PRESSAVG: 1985200 -27.2716 -28.7154 6.58344 -28.7155 -42.3762 -34.7599 6.58353 -34.7599 75.582 GPRESSAVG: 1985200 -25.6592 -26.7589 5.42421 -29.5399 -42.6911 -37.0143 8.24073 -33.4365 74.9629 TIMING: 1985200 CPU: 5755.25, 0.00287683/step Wall: 5755.25, 0.00287683/step, 2.40919 hours remaining, 209.441406 MB of memory in use. ENERGY: 1985200 715.4446 2098.0822 1957.0578 104.4579 -206502.1040 17978.1940 0.0000 0.0000 34125.4909 -149523.3765 298.0264 -183648.8675 -149420.7252 298.5019 34.8907 67.3148 557450.9440 1.9781 2.2042 PRESSURE: 1985400 203.868 -90.6759 -134.28 -90.6763 -119.726 -160.736 -134.279 -160.736 82.1486 GPRESSURE: 1985400 259.351 -14.6233 -149.153 -114.458 -113.362 -9.64052 -133.953 -243.321 125.59 PRESSAVG: 1985400 -0.183718 -5.63025 -42.1502 -5.63032 64.3157 -65.2351 -42.1502 -65.2352 -72.7113 GPRESSAVG: 1985400 -0.818042 -7.465 -41.6922 -6.30922 63.6615 -65.9624 -42.8266 -66.021 -71.495 TIMING: 1985400 CPU: 5755.82, 0.00286112/step Wall: 5755.82, 0.00286112/step, 2.39587 hours remaining, 209.644531 MB of memory in use. ENERGY: 1985400 770.1317 1987.7681 1953.6655 120.0679 -206680.8130 17980.1553 0.0000 0.0000 34477.7321 -149391.2924 301.1026 -183869.0245 -149296.7826 298.9689 55.4300 90.5263 556029.6819 -2.8597 -2.8838 PRESSURE: 1985600 237.254 -66.0901 231.221 -66.0896 -153.853 58.783 231.221 58.7832 -150.331 GPRESSURE: 1985600 308.455 -47.1742 164.784 5.9478 -122.526 34.839 218.311 61.0494 -153.399 PRESSAVG: 1985600 36.165 17.8795 -27.4401 17.8794 14.7053 -4.65322 -27.4402 -4.65323 -21.7524 GPRESSAVG: 1985600 35.7651 18.0413 -27.3414 19.2637 14.8875 -4.51437 -28.3588 -4.6221 -21.6183 TIMING: 1985600 CPU: 5756.39, 0.00285961/step Wall: 5756.39, 0.00285961/step, 2.39444 hours remaining, 209.644531 MB of memory in use. ENERGY: 1985600 786.4508 2057.5676 1955.2429 110.6839 -206707.4394 18029.9289 0.0000 0.0000 34248.2402 -149519.3252 299.0984 -183767.5654 -149427.1494 299.3593 -22.3099 10.8434 556951.4936 9.7060 9.6781 PRESSURE: 1985800 10.4382 -177.189 30.8819 -177.19 -110.946 87.2445 30.8831 87.2441 -140.35 GPRESSURE: 1985800 70.0994 -116.17 33.9038 -117.245 -88.7033 60.1314 42.7846 107.856 -122.515 PRESSAVG: 1985800 5.07792 -8.60322 40.9163 -8.60313 15.8395 19.0758 40.9163 19.0758 -10.9947 GPRESSAVG: 1985800 4.86396 -6.95082 42.3664 -10.3239 16.8404 19.7645 38.3836 20.9065 -11.436 TIMING: 1985800 CPU: 5756.97, 0.00288092/step Wall: 5756.97, 0.00288092/step, 2.41213 hours remaining, 209.644531 MB of memory in use. ENERGY: 1985800 773.8634 2093.4811 1933.2752 116.7090 -206576.4493 17901.9827 0.0000 0.0000 34150.5536 -149606.5842 298.2453 -183757.1378 -149512.7778 298.8980 -80.2861 -47.0395 556689.7444 3.3076 3.4228 PRESSURE: 1986000 -125.054 -104.94 85.5617 -104.94 -131.532 -89.8909 85.5614 -89.8911 -119.436 GPRESSURE: 1986000 -147.039 -138.203 55.6401 -151.895 -117.93 -58.7722 38.598 -136.078 -25.0819 PRESSAVG: 1986000 39.7278 -6.81108 24.9676 -6.81105 -30.5209 -9.44192 24.9675 -9.44196 17.1019 GPRESSAVG: 1986000 40.3283 -7.3272 22.9405 -6.62073 -32.1835 -11.3656 28.6441 -11.6967 18.9023 TIMING: 1986000 CPU: 5757.55, 0.00290915/step Wall: 5757.55, 0.00290915/step, 2.4356 hours remaining, 209.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1986000 781.6306 2091.1006 1959.6209 114.1439 -206316.1825 17631.6785 0.0000 0.0000 34198.6934 -149539.3146 298.6657 -183738.0079 -149450.5955 298.0731 -125.3406 -96.6834 556523.2038 8.7696 9.0157 PRESSURE: 1986200 -114.61 56.4592 8.75747 56.459 263.964 5.34791 8.75437 5.34778 215.239 GPRESSURE: 1986200 -105.602 -6.65032 43.4444 55.7387 316.315 13.4214 30.1613 85.7799 247.687 PRESSAVG: 1986200 11.9825 -8.33641 50.5936 -8.33637 6.27042 10.1138 50.5935 10.1137 4.25797 GPRESSAVG: 1986200 12.5297 -8.34604 51.2234 -5.723 6.94545 10.9677 50.1284 11.018 2.79462 TIMING: 1986200 CPU: 5758.13, 0.0028875/step Wall: 5758.13, 0.0028875/step, 2.41732 hours remaining, 209.644531 MB of memory in use. ENERGY: 1986200 777.6747 2064.7795 1946.9968 121.2923 -206653.5780 18008.1397 0.0000 0.0000 34221.4170 -149513.2780 298.8641 -183734.6950 -149411.4067 298.3853 121.5312 152.7999 556129.2571 7.5036 7.4232 PRESSURE: 1986400 -122.425 92.4537 -73.4508 92.4541 -111.973 -15.9955 -73.451 -15.9955 34.9185 GPRESSURE: 1986400 -32.6012 125.055 -128.286 127.506 -91.5991 -14.5948 15.1304 41.5939 24.9299 PRESSAVG: 1986400 -37.2323 -19.7306 33.412 -19.7306 -6.40586 11.1163 33.412 11.1162 70.9903 GPRESSAVG: 1986400 -37.0829 -18.7643 34.3366 -22.4079 -7.04647 10.2773 32.2085 12.4789 71.3177 TIMING: 1986400 CPU: 5758.7, 0.00289023/step Wall: 5758.7, 0.00289023/step, 2.41944 hours remaining, 209.644531 MB of memory in use. ENERGY: 1986400 784.6043 2062.3333 1953.2720 122.6551 -206269.3712 17702.6516 0.0000 0.0000 34246.8585 -149396.9965 299.0863 -183643.8550 -149301.6969 299.1645 -66.4931 -33.0901 556567.2689 9.1174 9.0628 PRESSURE: 1986600 126.829 -65.9621 -26.4571 -65.9627 -42.5374 47.8127 -26.4572 47.8122 266.279 GPRESSURE: 1986600 146.139 -73.585 -39.7629 -45.4726 48.0506 47.2202 -38.0614 -104.192 256.434 PRESSAVG: 1986600 -21.7484 3.49847 -2.54771 3.49834 50.0046 27.6545 -2.54773 27.6545 43.0453 GPRESSAVG: 1986600 -22.3634 1.33237 -4.36315 5.36663 51.5265 29.0796 -1.65786 26.269 42.4173 TIMING: 1986600 CPU: 5759.28, 0.0028946/step Wall: 5759.28, 0.0028946/step, 2.42294 hours remaining, 209.644531 MB of memory in use. ENERGY: 1986600 725.9488 2112.2270 1907.6648 102.6339 -206384.5487 17807.6324 0.0000 0.0000 34091.5992 -149636.8426 297.7304 -183728.4418 -149536.4532 299.1173 116.8570 150.2080 555092.6520 23.7672 23.8601 PRESSURE: 1986800 -53.5074 -46.5924 -47.1913 -46.5936 -35.8334 -13.1398 -47.191 -13.1393 -188.059 GPRESSURE: 1986800 -25.6358 -81.196 19.2326 47.6278 58.9221 -31.8441 25.1464 105.753 -212.026 PRESSAVG: 1986800 -72.9581 -17.8254 5.21147 -17.8254 49.3279 32.755 5.21144 32.7551 16.7224 GPRESSAVG: 1986800 -73.577 -15.7308 7.48874 -18.6997 49.2558 33.8999 5.9961 31.6055 17.636 TIMING: 1986800 CPU: 5759.86, 0.00288514/step Wall: 5759.86, 0.00288514/step, 2.41486 hours remaining, 209.644531 MB of memory in use. ENERGY: 1986800 759.8805 2053.5317 1940.8787 128.7951 -206718.0141 17851.3469 0.0000 0.0000 34568.4420 -149415.1392 301.8948 -183983.5813 -149316.8372 298.9365 -92.4665 -59.5801 557605.1222 -2.3026 -2.2284 PRESSURE: 1987000 26.4729 263.744 192.917 263.743 -74.0035 182.327 192.918 182.325 233.258 GPRESSURE: 1987000 65.5391 235.619 203.712 279.489 -58.2821 255.252 178.877 186.419 273.281 PRESSAVG: 1987000 -15.4864 -8.01452 79.3926 -8.01442 23.4893 23.1538 79.3926 23.1537 -13.1026 GPRESSAVG: 1987000 -15.8621 -8.28827 75.5136 -7.24834 22.3613 23.0645 79.457 24.5286 -11.7322 TIMING: 1987000 CPU: 5760.44, 0.00288035/step Wall: 5760.44, 0.00288035/step, 2.4107 hours remaining, 209.644531 MB of memory in use. ENERGY: 1987000 750.3099 2077.4690 1960.1642 130.4864 -206670.0151 18155.4263 0.0000 0.0000 34048.7164 -149547.4429 297.3559 -183596.1592 -149449.5946 299.1572 61.9091 93.5125 557643.8762 -1.6999 -1.7444 PRESSURE: 1987200 -273.229 121.291 -46.3185 121.291 -146.58 -92.3952 -46.3194 -92.3942 -135.337 GPRESSURE: 1987200 -228.554 40.859 -113.461 80.8673 -101.106 -0.47001 78.3017 -139.77 -134.347 PRESSAVG: 1987200 19.5764 39.2393 -10.6587 39.2393 -27.4199 50.0541 -10.6588 50.0542 26.9035 GPRESSAVG: 1987200 18.6611 40.7874 -8.05596 37.4936 -25.8967 49.203 -10.7535 50.5688 26.1568 TIMING: 1987200 CPU: 5761.01, 0.00288075/step Wall: 5761.01, 0.00288075/step, 2.41086 hours remaining, 209.644531 MB of memory in use. ENERGY: 1987200 744.8015 2061.4804 1965.0444 118.9992 -206202.7294 17764.6198 0.0000 0.0000 34255.7495 -149292.0346 299.1640 -183547.7841 -149189.0539 299.1138 -185.0487 -154.6688 558133.6686 6.3533 6.3071 PRESSURE: 1987400 -31.0222 -148.014 -58.7142 -148.014 -46.2039 -56.2349 -58.7148 -56.2364 -136.315 GPRESSURE: 1987400 -9.1256 -129.5 43.162 -159.968 21.5049 -50.6956 -59.8495 -21.1804 -126.752 PRESSAVG: 1987400 -37.4195 -11.891 24.7862 -11.8909 77.7759 34.8766 24.7862 34.8765 -36.8523 GPRESSAVG: 1987400 -36.0259 -13.0039 27.4583 -10.9338 77.1927 36.6752 23.503 33.5027 -37.8388 TIMING: 1987400 CPU: 5761.59, 0.00291179/step Wall: 5761.59, 0.00291179/step, 2.43668 hours remaining, 209.644531 MB of memory in use. ENERGY: 1987400 732.3953 2083.8016 1950.9700 109.4120 -205915.7105 17669.8363 0.0000 0.0000 34120.4571 -149248.8381 297.9824 -183369.2952 -149150.9530 299.6039 -71.1802 -38.1241 557133.0518 1.1680 1.1094 PRESSURE: 1987600 270.367 116.442 11.6168 116.442 24.9661 116.129 11.6173 116.13 40.9811 GPRESSURE: 1987600 313.515 92.4146 34.046 114.171 31.9555 57.7105 -25.623 62.9731 93.0978 PRESSAVG: 1987600 -76.0515 36.3387 13.6202 36.3388 108.945 26.21 13.6203 26.2101 -26.8274 GPRESSAVG: 1987600 -77.597 34.9776 10.8243 36.3054 109.195 24.9228 13.7106 25.8389 -25.3784 TIMING: 1987600 CPU: 5762.18, 0.00291002/step Wall: 5762.18, 0.00291002/step, 2.43504 hours remaining, 209.644531 MB of memory in use. ENERGY: 1987600 728.5086 2080.4904 1944.8043 125.8829 -206014.2315 17814.6566 0.0000 0.0000 34111.7660 -149208.1228 297.9065 -183319.8888 -149116.5765 299.7498 112.1048 146.1893 557281.5551 2.0220 2.0731 PRESSURE: 1987800 -218.897 27.2744 34.2533 27.2744 14.0927 1.71809 34.2535 1.71767 -60.4783 GPRESSURE: 1987800 -217.663 112.769 55.1221 -24.6769 70.3021 -83.6438 114.667 64.1861 -23.9786 PRESSAVG: 1987800 -10.7785 -11.5765 11.0302 -11.5765 15.26 -5.24535 11.0302 -5.24534 17.4129 GPRESSAVG: 1987800 -9.93806 -11.4722 11.4404 -11.0543 14.6427 -8.57509 11.8866 -4.45021 17.5512 TIMING: 1987800 CPU: 5762.76, 0.00290574/step Wall: 5762.76, 0.00290574/step, 2.4313 hours remaining, 209.644531 MB of memory in use. ENERGY: 1987800 691.7146 2112.2555 1968.3356 104.7287 -205716.2348 17487.9419 0.0000 0.0000 34354.2907 -148996.9679 300.0246 -183351.2585 -148899.9072 300.3498 -88.4276 -57.1132 557829.7675 7.2981 7.4186 PRESSURE: 1988000 -32.513 30.5245 31.8884 30.5239 136.988 -209.923 31.889 -209.921 -85.2533 GPRESSURE: 1988000 -46.5863 35.6127 91.8916 34.6338 202.833 -43.4926 -5.46588 -180.743 -29.1081 PRESSAVG: 1988000 -46.8096 -19.5164 14.4038 -19.5163 71.3497 -9.40933 14.4039 -9.40933 -16.0888 GPRESSAVG: 1988000 -46.8615 -19.2244 14.4641 -18.2451 71.3989 -7.13137 14.5458 -8.3292 -15.997 TIMING: 1988000 CPU: 5763.34, 0.00288768/step Wall: 5763.34, 0.00288768/step, 2.41602 hours remaining, 209.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1988000 709.9628 2041.9113 1933.2131 111.6394 -206189.7278 17882.8117 0.0000 0.0000 34486.4377 -149023.7518 301.1786 -183510.1896 -148930.8178 300.4601 6.4074 42.3796 558193.5626 2.8171 2.8468 PRESSURE: 1988200 -108.416 166.263 3.62296 166.264 -22.0082 -26.1467 3.62221 -26.1476 -221.406 GPRESSURE: 1988200 -112.175 53.5369 37.2255 52.8356 42.6376 21.9568 -22.3981 -121.611 -174.979 PRESSAVG: 1988200 6.26519 39.2943 2.22362 39.2943 2.50047 41.168 2.22359 41.168 -22.393 GPRESSAVG: 1988200 6.68105 38.9044 0.625698 38.2443 2.68236 42.3797 2.84908 38.7957 -22.6846 TIMING: 1988200 CPU: 5763.91, 0.00288894/step Wall: 5763.91, 0.00288894/step, 2.41692 hours remaining, 209.644531 MB of memory in use. ENERGY: 1988200 741.8430 2063.6421 1935.0430 113.7712 -205789.7093 17670.0204 0.0000 0.0000 34148.4754 -149116.9143 298.2271 -183265.3897 -149022.5944 299.5329 -117.2769 -81.5052 558027.7275 -4.5425 -4.4404 LDB: ============= START OF LOAD BALANCING ============== 5767.3 LDB: ============== END OF LOAD BALANCING =============== 5767.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5767.3 LDB: ============= START OF LOAD BALANCING ============== 5767.59 LDB: Largest compute 4820 load 0.023752 is 20.1% of average load 0.118036 LDB: Average compute 0.001730 is 1.5% of average load 0.118036 LDB: TIME 5767.59 LOAD: AVG 0.118036 MAX 0.179381 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.758 MB LDB: TIME 5767.59 LOAD: AVG 0.118036 MAX 0.179381 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.785 MB LDB: TIME 5767.59 LOAD: AVG 0.118036 MAX 0.179381 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.785 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5767.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5767.6 PRESSURE: 1988400 -105.565 72.804 113.143 72.8036 -317.511 322.54 113.144 322.538 -5.78392 GPRESSURE: 1988400 -71.467 80.9453 92.8431 67.8217 -238.346 231.776 183.407 331.941 -14.8905 PRESSAVG: 1988400 49.0096 14.5199 49.4816 14.52 -25.3595 73.933 49.4816 73.9331 -19.9524 GPRESSAVG: 1988400 48.3397 17.3362 52.1434 15.6846 -24.1461 72.5265 47.0037 75.9053 -20.7173 TIMING: 1988400 CPU: 5764.5, 0.00295757/step Wall: 5764.5, 0.00295757/step, 2.47418 hours remaining, 210.214844 MB of memory in use. ENERGY: 1988400 738.0081 2103.1229 1933.7453 105.9964 -206201.2580 17670.0677 0.0000 0.0000 34384.7729 -149265.5447 300.2908 -183650.3176 -149171.0884 299.1594 -142.9533 -108.2344 555716.9971 1.2326 1.1588 PRESSURE: 1988600 400.809 -138.076 -116.896 -138.076 67.2187 50.9302 -116.896 50.9305 425.45 GPRESSURE: 1988600 428.257 -92.8283 15.2252 -117.465 82.9641 31.1143 -214.32 83.0696 484.927 PRESSAVG: 1988600 17.558 24.314 41.1325 24.314 -10.8481 37.9498 41.1325 37.9498 17.098 GPRESSAVG: 1988600 17.9978 23.2243 39.1759 24.8751 -12.5588 38.0594 43.1329 37.8656 17.8708 TIMING: 1988600 CPU: 5765.08, 0.00288825/step Wall: 5765.08, 0.00288825/step, 2.41602 hours remaining, 210.214844 MB of memory in use. ENERGY: 1988600 749.9476 2138.2762 1942.3468 107.2633 -206713.6128 18228.5852 0.0000 0.0000 34323.8865 -149223.3071 299.7590 -183547.1936 -149126.2882 299.7729 297.8260 332.0493 555260.0727 7.9360 7.7699 PRESSURE: 1988800 -207.208 51.0963 -137.523 51.0961 -205.11 159.342 -137.522 159.342 -123.523 GPRESSURE: 1988800 -239.453 35.0645 -62.2406 102.052 -85.1472 129.849 -226.444 218.639 -106.62 PRESSAVG: 1988800 94.6498 1.36634 31.3746 1.36623 -129.22 78.7441 31.3746 78.7441 17.2626 GPRESSAVG: 1988800 94.9811 -0.208038 32.7015 0.939643 -128.6 77.36 29.8882 78.9273 16.006 TIMING: 1988800 CPU: 5765.66, 0.00288946/step Wall: 5765.66, 0.00288946/step, 2.41687 hours remaining, 210.214844 MB of memory in use. ENERGY: 1988800 782.8882 2131.4008 1970.0129 113.1130 -205917.0688 17554.9122 0.0000 0.0000 34265.9889 -149098.7528 299.2534 -183364.7417 -148994.7761 299.3441 -178.6137 -143.7400 558105.3158 -5.7694 -5.8708 PRESSURE: 1989000 -65.5227 -40.3257 135.437 -40.3263 -79.3343 134.729 135.438 134.729 -105.499 GPRESSURE: 1989000 -83.954 -32.9458 140.138 -83.3872 -18.6508 32.0716 95.1394 210.975 -46.5946 PRESSAVG: 1989000 -4.12624 -7.36039 2.01209 -7.36034 17.1483 23.2527 2.01205 23.2526 -55.0272 GPRESSAVG: 1989000 -4.27192 -5.32218 -0.162855 -8.17294 16.4648 23.4956 3.44372 23.1672 -53.973 TIMING: 1989000 CPU: 5766.24, 0.00287877/step Wall: 5766.24, 0.00287877/step, 2.40777 hours remaining, 210.214844 MB of memory in use. ENERGY: 1989000 768.8957 2071.4533 1964.4742 114.8424 -206346.8344 17776.5035 0.0000 0.0000 34294.0764 -149356.5890 299.4987 -183650.6654 -149267.1580 298.5308 -83.4519 -49.7331 556131.7222 -14.0017 -13.9267 PRESSURE: 1989200 -38.061 -127.056 70.3432 -127.055 158.024 106.201 70.3434 106.202 -22.418 GPRESSURE: 1989200 30.7671 -157.385 54.2348 -153.638 171.215 67.3689 115.612 124.872 14.3082 PRESSAVG: 1989200 -21.2557 -24.2565 21.2972 -24.2565 33.2782 -10.7761 21.2972 -10.7761 -7.0455 GPRESSAVG: 1989200 -20.5882 -23.6843 23.4704 -24.7033 33.9178 -10.3458 19.2455 -9.67632 -7.37503 TIMING: 1989200 CPU: 5766.82, 0.00289493/step Wall: 5766.82, 0.00289493/step, 2.42112 hours remaining, 210.214844 MB of memory in use. ENERGY: 1989200 729.3218 2036.9699 1938.7677 111.3578 -206462.8394 17960.4687 0.0000 0.0000 34319.8553 -149366.0981 299.7238 -183685.9535 -149271.1950 298.7309 32.5150 72.0968 556412.9153 1.6590 1.9848 PRESSURE: 1989400 -83.1583 13.5513 -149.836 13.5503 162.873 -99.0833 -149.836 -99.0849 32.5364 GPRESSURE: 1989400 -56.2563 -65.1314 -109.051 -7.31044 244.363 -54.6779 -151.982 -62.4725 15.862 PRESSAVG: 1989400 42.366 -19.116 33.437 -19.116 -2.17822 9.93064 33.437 9.93062 -47.319 GPRESSAVG: 1989400 40.6547 -19.4307 33.3934 -20.5865 -1.5464 10.2612 34.3113 7.09514 -46.6204 TIMING: 1989400 CPU: 5767.4, 0.00291925/step Wall: 5767.4, 0.00291925/step, 2.4413 hours remaining, 210.214844 MB of memory in use. ENERGY: 1989400 758.3572 2065.7479 1917.8846 105.5757 -206295.1958 17908.4935 0.0000 0.0000 34113.7828 -149425.3542 297.9242 -183539.1370 -149328.6754 299.0198 37.4171 67.9895 557089.2259 -2.3771 -2.5040 PRESSURE: 1989600 -148.037 -35.5132 -9.99954 -35.5134 -122.391 -62.6152 -10.0007 -62.6156 -300.533 GPRESSURE: 1989600 -145.066 -59.198 -71.118 5.90959 -115.343 -131.497 48.1673 -96.8542 -211.973 PRESSAVG: 1989600 -41.8499 36.6843 18.1249 36.6842 -9.98901 37.9866 18.1249 37.9866 52.1646 GPRESSAVG: 1989600 -42.3378 37.6727 15.9213 36.7383 -9.98298 38.956 18.7574 39.8757 52.4658 TIMING: 1989600 CPU: 5767.98, 0.00291657/step Wall: 5767.98, 0.00291657/step, 2.4389 hours remaining, 210.214844 MB of memory in use. ENERGY: 1989600 765.1794 2092.3847 1953.3720 114.0862 -206392.3417 17771.8519 0.0000 0.0000 34246.5348 -149448.9327 299.0835 -183695.4674 -149355.0152 298.4827 -190.3207 -157.4606 559022.7906 0.1086 0.0483 PRESSURE: 1989800 -34.3911 33.92 -3.51527 33.92 -233.08 5.32566 -3.51628 5.32517 47.7649 GPRESSURE: 1989800 33.4443 32.1015 98.5084 48.6724 -165.855 103.405 -5.82478 -69.0709 22.859 PRESSAVG: 1989800 -1.50573 -5.60439 20.3586 -5.60434 -47.9636 -7.07084 20.3585 -7.07091 30.902 GPRESSAVG: 1989800 -1.03326 -9.00537 20.0794 -2.11 -47.623 -8.4718 22.2213 -7.22471 30.5567 TIMING: 1989800 CPU: 5768.56, 0.00287792/step Wall: 5768.56, 0.00287792/step, 2.40642 hours remaining, 210.214844 MB of memory in use. ENERGY: 1989800 715.2838 2130.2543 1913.0648 111.7446 -206091.0636 17749.0604 0.0000 0.0000 34188.7755 -149282.8802 298.5791 -183471.6557 -149188.5808 298.2638 -73.2353 -36.5173 558240.0605 -6.1891 -6.0332 PRESSURE: 1990000 108.579 -9.42924 31.3858 -9.42958 -28.274 201.791 31.3861 201.79 -136.272 GPRESSURE: 1990000 125.183 -27.7975 -35.5242 54.7811 -16.1949 159.751 172.432 236.254 -66.3964 PRESSAVG: 1990000 34.7277 -50.8188 -9.71805 -50.8188 27.4845 2.15063 -9.71801 2.1507 -32.7508 GPRESSAVG: 1990000 34.4854 -49.1227 -10.5788 -51.891 26.4929 2.92513 -10.1932 2.42343 -31.1526 TIMING: 1990000 CPU: 5769.13, 0.00287718/step Wall: 5769.13, 0.00287718/step, 2.40564 hours remaining, 210.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1990000 737.4308 2062.4756 1949.8568 102.2849 -206118.5371 17768.5482 0.0000 0.0000 34233.6328 -149264.3080 298.9708 -183497.9408 -149168.1479 298.8749 -18.6559 14.1972 556723.6163 9.8204 9.9419 PRESSURE: 1990200 -250.129 71.3324 -187.952 71.3322 -113.324 38.9021 -187.951 38.9027 -141.278 GPRESSURE: 1990200 -268.578 48.2059 -195.355 18.1012 -58.6975 16.3133 -137.123 42.2965 -73.8913 PRESSAVG: 1990200 -16.165 37.0404 -14.8973 37.0404 6.98326 12.1694 -14.8972 12.1694 3.28185 GPRESSAVG: 1990200 -15.3777 38.4655 -12.7012 36.5476 8.32534 13.1185 -16.3004 10.5944 1.94979 TIMING: 1990200 CPU: 5769.71, 0.00288502/step Wall: 5769.71, 0.00288502/step, 2.41204 hours remaining, 210.214844 MB of memory in use. ENERGY: 1990200 702.8236 2103.0688 1942.6091 100.8381 -205865.7367 17644.4980 0.0000 0.0000 34345.2547 -149026.6443 299.9457 -183371.8990 -148932.1487 298.6735 -168.2436 -133.7224 557930.5079 -1.9666 -1.7008 PRESSURE: 1990400 -128.337 -2.66534 205.819 -2.66462 -87.4885 -155.859 205.819 -155.86 -97.0899 GPRESSURE: 1990400 -130.285 -4.91005 239.683 13.8288 -80.0955 -170.926 204.525 -127.152 -11.5494 PRESSAVG: 1990400 -61.7841 -9.8233 9.14511 -9.82324 4.07817 10.1134 9.14509 10.1134 42.0115 GPRESSAVG: 1990400 -62.353 -10.6271 10.7575 -10.78 4.23691 9.62165 9.45824 10.4875 42.303 TIMING: 1990400 CPU: 5770.29, 0.00288335/step Wall: 5770.29, 0.00288335/step, 2.41048 hours remaining, 210.214844 MB of memory in use. ENERGY: 1990400 741.3024 2068.5599 1980.9695 113.6643 -205725.5258 17398.7081 0.0000 0.0000 34279.4201 -149142.9015 299.3707 -183422.3216 -149046.9617 299.2134 -104.3052 -73.9768 557417.2157 -5.2315 -5.2710 PRESSURE: 1990600 89.2593 206.624 -88.6498 206.624 -94.2853 59.9846 -88.6495 59.9842 -43.5736 GPRESSURE: 1990600 102.277 202.699 -1.19898 153.31 -47.7207 83.7961 -82.9625 23.5325 -20.528 PRESSAVG: 1990600 -30.3151 -26.8963 19.1377 -26.8962 34.6769 54.1198 19.1377 54.1197 33.745 GPRESSAVG: 1990600 -30.6575 -27.9283 18.6493 -24.0429 33.4613 50.904 17.7011 55.6904 34.6733 TIMING: 1990600 CPU: 5770.87, 0.00293124/step Wall: 5770.87, 0.00293124/step, 2.45036 hours remaining, 210.214844 MB of memory in use. ENERGY: 1990600 726.2387 2139.1546 1948.7759 111.4635 -206011.8903 17638.6007 0.0000 0.0000 34275.6158 -149172.0410 299.3375 -183447.6568 -149076.4745 298.4043 -16.1999 11.3429 556812.7620 12.7023 12.4924 PRESSURE: 1990800 136.623 -169.446 134.227 -169.446 -170.935 14.2048 134.227 14.2045 25.124 GPRESSURE: 1990800 188.749 -168.137 64.7033 -119.008 -149.709 -0.992086 91.9894 57.2192 55.0397 PRESSAVG: 1990800 5.93563 7.9413 6.74341 7.94132 16.208 27.3611 6.74347 27.3612 -29.4408 GPRESSAVG: 1990800 6.94972 8.85396 4.90846 6.01994 17.1002 28.7733 7.53339 27.4077 -30.8455 TIMING: 1990800 CPU: 5771.45, 0.00286293/step Wall: 5771.45, 0.00286293/step, 2.39309 hours remaining, 210.214844 MB of memory in use. ENERGY: 1990800 715.9456 2085.3243 1958.9633 108.3417 -206067.7183 17666.7240 0.0000 0.0000 34275.6833 -149256.7361 299.3381 -183532.4194 -149164.7007 298.4173 -3.0627 31.3601 558034.2805 -2.4324 -2.2652 PRESSURE: 1991000 -9.25148 -50.5548 -68.8167 -50.5555 100.98 140.767 -68.817 140.767 -6.27538 GPRESSURE: 1991000 12.0536 87.4011 -47.5631 -117.335 149.205 162.095 -48.3921 143.217 28.8073 PRESSAVG: 1991000 -16.4245 38.4952 -66.9446 38.4951 29.2518 -9.10815 -66.9446 -9.10821 9.40513 GPRESSAVG: 1991000 -16.4803 39.7614 -65.1907 37.3664 30.3493 -9.1744 -68.3747 -9.48905 8.55251 TIMING: 1991000 CPU: 5772.02, 0.00285875/step Wall: 5772.02, 0.00285875/step, 2.38944 hours remaining, 210.214844 MB of memory in use. ENERGY: 1991000 723.7817 2063.3151 1980.1618 111.9828 -206203.5399 17877.5588 0.0000 0.0000 34109.2283 -149337.5114 297.8844 -183446.7397 -149243.1122 299.2337 28.4845 63.3554 558431.2934 7.4108 7.4739 PRESSURE: 1991200 39.0778 -40.0926 78.3259 -40.092 -138.239 26.9995 78.3253 26.9988 4.47711 GPRESSURE: 1991200 107.477 -51.4168 56.7217 -39.9001 -99.1057 -35.6135 101.698 18.8852 -5.3933 PRESSAVG: 1991200 37.0659 -20.8183 -31.2548 -20.8184 -52.1207 -38.167 -31.2549 -38.1668 -18.8882 GPRESSAVG: 1991200 36.5404 -22.1776 -31.37 -19.9677 -52.5089 -38.001 -30.5493 -38.1144 -17.2195 TIMING: 1991200 CPU: 5772.6, 0.00289009/step Wall: 5772.6, 0.00289009/step, 2.41547 hours remaining, 210.214844 MB of memory in use. ENERGY: 1991200 754.6388 2041.9808 1948.8475 118.3910 -206191.1185 17794.6275 0.0000 0.0000 34130.7666 -149401.8662 298.0725 -183532.6328 -149309.4014 298.6816 -31.5615 0.9928 556428.1457 -11.3143 -11.0626 PRESSURE: 1991400 -117.269 23.1985 -124.006 23.199 -42.8459 -238.088 -124.005 -238.087 147.336 GPRESSURE: 1991400 -87.6584 24.7029 -140.137 -70.2347 -4.73613 -119.794 -162.938 -232.698 166.368 PRESSAVG: 1991400 -27.9394 41.1501 -48.5915 41.1501 -10.7522 -34.8103 -48.5915 -34.8104 56.22 GPRESSAVG: 1991400 -27.4739 43.5602 -48.9515 39.8653 -11.3946 -34.6047 -48.0045 -34.3156 56.6966 TIMING: 1991400 CPU: 5773.17, 0.00286705/step Wall: 5773.17, 0.00286705/step, 2.39606 hours remaining, 210.214844 MB of memory in use. ENERGY: 1991400 762.7352 2117.2135 1951.8908 97.1679 -206119.7799 17741.5898 0.0000 0.0000 34227.2366 -149221.9462 298.9150 -183449.1828 -149125.4931 298.7918 -4.2597 24.6577 557356.3074 5.8428 5.9427 PRESSURE: 1991600 -148.045 5.36904 -103.557 5.36919 -216.823 106.27 -103.556 106.27 -43.9068 GPRESSURE: 1991600 -129.306 -42.626 -123.592 67.0423 -143.667 38.2536 -29.8594 177.981 -34.2793 PRESSAVG: 1991600 55.7423 9.04722 -35.8592 9.04732 -58.2199 -27.9472 -35.8591 -27.9472 33.6966 GPRESSAVG: 1991600 55.5043 6.53306 -36.0684 10.2398 -58.3533 -27.9058 -37.3071 -29.1993 33.9085 TIMING: 1991600 CPU: 5773.75, 0.00289235/step Wall: 5773.75, 0.00289235/step, 2.41704 hours remaining, 210.214844 MB of memory in use. ENERGY: 1991600 736.6136 2065.1616 1992.0443 112.1333 -205689.3353 17451.2181 0.0000 0.0000 34039.2546 -149292.9097 297.2733 -183332.1643 -149191.9946 299.7240 -136.2583 -102.4175 557949.4140 10.4063 10.3531 PRESSURE: 1991800 -192.372 -148.09 52.2895 -148.091 113.782 -118.855 52.2886 -118.853 -2.20265 GPRESSURE: 1991800 -59.799 -217.466 -31.002 -120.362 71.9142 -70.7667 106.619 -136.758 -0.278631 PRESSAVG: 1991800 -36.8806 -14.7521 -41.9232 -14.752 12.5037 -6.55141 -41.9232 -6.55141 16.3476 GPRESSAVG: 1991800 -36.9904 -15.244 -41.6339 -14.3844 13.5652 -6.96416 -39.2267 -5.81772 16.0096 TIMING: 1991800 CPU: 5774.32, 0.00287235/step Wall: 5774.32, 0.00287235/step, 2.40017 hours remaining, 210.214844 MB of memory in use. ENERGY: 1991800 746.1823 2008.3248 1978.5299 96.3998 -206080.6610 17782.2767 0.0000 0.0000 34123.4914 -149345.4561 298.0089 -183468.9474 -149241.6649 298.2598 -26.9307 3.9455 557146.3971 -2.6764 -2.4718 PRESSURE: 1992000 352.495 -40.206 -238.277 -40.2052 77.0497 57.9479 -238.276 57.9482 -161.685 GPRESSURE: 1992000 369.695 -78.8519 -266.564 66.6817 99.9464 23.6848 -256.031 82.4093 -92.3786 PRESSAVG: 1992000 2.57058 -5.78896 -48.7494 -5.78897 40.9342 30.6275 -48.7494 30.6275 -70.932 GPRESSAVG: 1992000 2.14297 -5.36031 -50.4482 -4.37584 40.4252 30.5728 -48.7833 30.8143 -69.6445 TIMING: 1992000 CPU: 5774.9, 0.0029057/step Wall: 5774.9, 0.0029057/step, 2.42787 hours remaining, 210.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1992000 715.3684 2079.1641 1964.1919 102.7642 -206486.9843 18011.8485 0.0000 0.0000 34088.6181 -149525.0291 297.7044 -183613.6472 -149432.1756 298.3219 89.2865 125.7542 556121.5357 -9.1424 -9.0254 PRESSURE: 1992200 -29.3217 -6.61068 -6.15406 -6.61017 127.908 181.266 -6.15582 181.265 270.324 GPRESSURE: 1992200 -8.65008 29.5903 53.3929 81.202 169.468 111.7 -63.4448 159.503 313.279 PRESSAVG: 1992200 -21.0347 29.5915 -77.8755 29.5914 45.2 -5.10537 -77.8754 -5.10534 -14.3671 GPRESSAVG: 1992200 -20.5575 29.3142 -76.5714 29.2739 44.924 -5.00145 -77.5025 -4.39298 -14.9395 TIMING: 1992200 CPU: 5775.48, 0.00288187/step Wall: 5775.48, 0.00288187/step, 2.4078 hours remaining, 210.214844 MB of memory in use. ENERGY: 1992200 722.1957 2131.9695 1974.5149 99.5633 -206589.6761 17913.9594 0.0000 0.0000 34267.0896 -149480.3837 299.2630 -183747.4733 -149385.5699 298.1790 122.9701 158.0323 555417.8276 3.2661 3.1423 LDB: ============= START OF LOAD BALANCING ============== 5778.86 LDB: ============== END OF LOAD BALANCING =============== 5778.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5778.87 LDB: ============= START OF LOAD BALANCING ============== 5779.15 LDB: Largest compute 4820 load 0.022088 is 18.7% of average load 0.118000 LDB: Average compute 0.001729 is 1.5% of average load 0.118000 LDB: TIME 5779.16 LOAD: AVG 0.118 MAX 0.180193 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.465 MB LDB: TIME 5779.16 LOAD: AVG 0.118 MAX 0.180193 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: TIME 5779.16 LOAD: AVG 0.118 MAX 0.180193 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: ============== END OF LOAD BALANCING =============== 5779.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5779.16 PRESSURE: 1992400 137.478 5.53879 148.925 5.53819 -363.964 -112.407 148.926 -112.407 90.2103 GPRESSURE: 1992400 166.57 40.8866 153.514 27.1446 -310.365 -188.05 110.684 -33.0264 110.604 PRESSAVG: 1992400 -38.005 29.7085 -19.7772 29.7086 -13.0974 38.5588 -19.7772 38.5588 29.993 GPRESSAVG: 1992400 -37.9974 30.8422 -20.8172 29.9138 -13.9787 35.8364 -19.3367 39.1785 30.8091 TIMING: 1992400 CPU: 5776.07, 0.00293988/step Wall: 5776.07, 0.00293988/step, 2.4561 hours remaining, 207.667969 MB of memory in use. ENERGY: 1992400 731.0420 2106.5807 1947.8812 115.4549 -206467.9636 17748.2506 0.0000 0.0000 34461.6554 -149357.0987 300.9622 -183818.7541 -149258.3779 299.0495 -45.4252 -11.0634 556305.5602 -7.0365 -7.0557 PRESSURE: 1992600 75.9904 -117.557 -131.669 -117.558 108.635 24.926 -131.668 24.9244 324.407 GPRESSURE: 1992600 71.3364 -128.492 -114.843 -174.775 144.227 103.261 -127.254 -26.6881 384.794 PRESSAVG: 1992600 -33.3423 47.4202 -34.0117 47.4201 44.547 28.0395 -34.0116 28.0396 -4.10201 GPRESSAVG: 1992600 -33.3188 47.1293 -32.7878 45.7617 44.9347 29.6873 -35.7809 26.6998 -4.66865 TIMING: 1992600 CPU: 5776.64, 0.00287564/step Wall: 5776.64, 0.00287564/step, 2.40227 hours remaining, 207.871094 MB of memory in use. ENERGY: 1992600 731.0843 2070.5661 1960.1943 115.1702 -206255.4611 17773.0480 0.0000 0.0000 34346.2898 -149259.1084 299.9547 -183605.3982 -149172.5323 299.4176 169.6772 200.1191 555667.1214 2.3676 2.3158 PRESSURE: 1992800 30.492 134.177 10.7436 134.178 -25.743 38.9946 10.7453 38.9957 44.955 GPRESSURE: 1992800 75.1308 -13.2862 -39.4612 129.445 7.19756 65.1388 -35.1286 87.356 59.7259 PRESSAVG: 1992800 21.2364 -20.0423 -38.2361 -20.0424 -31.1052 1.52823 -38.2361 1.52814 -3.23767 GPRESSAVG: 1992800 20.7612 -21.0316 -38.847 -18.2859 -31.1591 1.17104 -36.2749 2.18137 -2.64124 TIMING: 1992800 CPU: 5777.22, 0.00286392/step Wall: 5777.22, 0.00286392/step, 2.39233 hours remaining, 207.871094 MB of memory in use. ENERGY: 1992800 721.6316 2075.2532 1941.0970 101.8072 -205981.9521 17692.2576 0.0000 0.0000 34155.3904 -149294.5150 298.2875 -183449.9054 -149189.7176 298.9102 16.5680 47.3514 556922.5040 -4.3688 -4.3464 PRESSURE: 1993000 -10.7389 31.0417 38.2863 31.0429 -309.779 52.2667 38.2868 52.2674 -251.795 GPRESSURE: 1993000 -12.4683 32.6044 131.467 -42.1913 -306.312 4.04196 -6.83043 80.749 -157.239 PRESSAVG: 1993000 51.9031 30.2695 -21.072 30.2694 9.62468 8.1187 -21.072 8.1188 -36.6748 GPRESSAVG: 1993000 52.2124 29.972 -21.934 29.7073 9.52601 9.03326 -20.9551 8.20345 -37.184 TIMING: 1993000 CPU: 5777.79, 0.00287878/step Wall: 5777.79, 0.00287878/step, 2.40458 hours remaining, 207.871094 MB of memory in use. ENERGY: 1993000 751.5299 2018.6369 1948.8715 127.7634 -205471.2683 17335.9510 0.0000 0.0000 34053.2082 -149235.3074 297.3951 -183288.5156 -149143.3683 299.9290 -190.7711 -158.6731 556099.9279 8.2844 8.1848 PRESSURE: 1993200 5.21942 33.5531 -99.352 33.5532 -344.78 80.7584 -99.3527 80.7584 68.3295 GPRESSURE: 1993200 85.0713 9.33019 -103.509 28.9452 -299.309 114.623 -74.5054 -33.9177 36.8526 PRESSAVG: 1993200 44.5024 30.3163 -17.4542 30.3163 1.30854 80.7856 -17.4542 80.7856 28.4492 GPRESSAVG: 1993200 44.5595 32.2659 -14.8369 30.3003 1.10666 81.4974 -21.0769 77.1205 28.3821 TIMING: 1993200 CPU: 5778.37, 0.00290868/step Wall: 5778.37, 0.00290868/step, 2.42939 hours remaining, 207.871094 MB of memory in use. ENERGY: 1993200 743.0107 2071.8122 1958.7361 108.3693 -206345.7389 17788.0953 0.0000 0.0000 34388.6440 -149287.0713 300.3246 -183675.7153 -149189.8159 299.3837 -90.4104 -59.1283 556625.8931 24.7534 24.6827 PRESSURE: 1993400 -86.4822 107.714 -37.446 107.713 122.528 71.1169 -37.4472 71.1164 53.8665 GPRESSURE: 1993400 -14.4907 109.013 33.6184 24.9376 101.001 110.49 -74.4941 94.8588 89.9809 PRESSAVG: 1993400 -28.8558 -1.38006 -68.5174 -1.38005 -24.0672 34.292 -68.5175 34.292 -3.6955 GPRESSAVG: 1993400 -29.1144 -0.871584 -69.1035 -2.56388 -24.4508 31.3236 -67.7907 38.664 -3.0358 TIMING: 1993400 CPU: 5778.95, 0.00288779/step Wall: 5778.95, 0.00288779/step, 2.41179 hours remaining, 207.871094 MB of memory in use. ENERGY: 1993400 759.0052 2115.6133 1935.0963 110.0381 -206475.1194 17988.9259 0.0000 0.0000 34200.0667 -149366.3739 298.6777 -183566.4406 -149265.6142 299.0859 29.9709 58.8302 556786.5938 -18.8728 -18.8670 PRESSURE: 1993600 -151.093 10.2165 84.0984 10.2158 233.601 183.336 84.0969 183.337 59.047 GPRESSURE: 1993600 -98.315 19.6154 44.7295 -38.5969 250.276 196.465 102.894 153.051 81.9686 PRESSAVG: 1993600 -7.87899 -35.4409 7.99433 -35.4409 2.20381 69.3314 7.99426 69.3314 13.8053 GPRESSAVG: 1993600 -7.8348 -36.0029 8.5184 -33.5503 1.94984 69.7707 9.21902 68.1912 13.9232 TIMING: 1993600 CPU: 5779.52, 0.00285955/step Wall: 5779.52, 0.00285955/step, 2.38804 hours remaining, 207.871094 MB of memory in use. ENERGY: 1993600 751.4237 2053.2456 1958.8703 104.8318 -206354.1948 17825.8475 0.0000 0.0000 34424.8441 -149235.1317 300.6407 -183659.9758 -149139.3494 298.9422 47.1851 77.9766 556248.3242 2.7100 2.6794 PRESSURE: 1993800 -338.86 -166.167 17.0648 -166.169 68.2555 -18.0424 17.0648 -18.0423 -302.352 GPRESSURE: 1993800 -297.992 -118.839 80.4238 -159.749 62.3149 -47.4387 -24.9094 -16.1298 -230.046 PRESSAVG: 1993800 -26.0527 0.229525 16.9767 0.229515 -8.83471 78.6077 16.9768 78.6077 37.7293 GPRESSAVG: 1993800 -26.0565 -0.275259 18.1188 1.94889 -8.18686 78.085 15.2612 78.3102 37.2562 TIMING: 1993800 CPU: 5780.09, 0.00285866/step Wall: 5780.09, 0.00285866/step, 2.38714 hours remaining, 207.871094 MB of memory in use. ENERGY: 1993800 766.1756 2096.9515 1979.9512 103.0824 -205778.3607 17409.6354 0.0000 0.0000 34241.4704 -149181.0942 299.0393 -183422.5646 -149088.9701 299.5679 -190.9855 -155.2410 557672.5234 0.9473 1.0043 PRESSURE: 1994000 -221.904 -47.1214 3.86847 -47.1225 -19.4148 40.1717 3.86842 40.1697 290.746 GPRESSURE: 1994000 -160.039 -39.1134 -28.7719 -142.333 21.2111 66.3092 14.7774 21.0811 286.682 PRESSAVG: 1994000 -57.6945 -7.0154 -7.48048 -7.01542 -20.4329 -11.1826 -7.48045 -11.1826 30.7466 GPRESSAVG: 1994000 -57.5445 -7.19543 -9.57495 -9.54874 -21.016 -11.3493 -4.52996 -11.5615 30.1907 TIMING: 1994000 CPU: 5780.67, 0.00288139/step Wall: 5780.67, 0.00288139/step, 2.40596 hours remaining, 207.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1994000 739.2176 2121.0910 1947.9554 117.5846 -206375.4760 17773.1387 0.0000 0.0000 34432.7453 -149243.7435 300.7097 -183676.4888 -149147.0459 299.2324 16.4755 49.2848 556147.4758 -15.7936 -16.1233 PRESSURE: 1994200 121.17 78.7812 78.6275 78.7808 7.91146 125.011 78.6276 125.012 -216.852 GPRESSURE: 1994200 140.457 83.2572 116.332 56.3302 4.74136 78.4803 69.3272 70.0329 -150.307 PRESSAVG: 1994200 29.195 -1.18615 2.19068 -1.18612 -17.4568 -15.8032 2.19077 -15.8032 -13.849 GPRESSAVG: 1994200 28.6307 -2.48516 3.49027 0.636551 -17.0227 -15.1019 1.1335 -14.7939 -13.7284 TIMING: 1994200 CPU: 5781.25, 0.00289899/step Wall: 5781.25, 0.00289899/step, 2.42049 hours remaining, 207.871094 MB of memory in use. ENERGY: 1994200 742.0670 2117.2464 1961.8032 104.3849 -206110.6583 17793.9377 0.0000 0.0000 34195.1175 -149196.1016 298.6345 -183391.2191 -149093.9100 299.9978 -29.2567 -1.7029 558143.6450 -0.7036 -0.7068 PRESSURE: 1994400 25.9175 29.9771 -16.9906 29.9769 11.8067 -109.629 -16.9902 -109.629 103.86 GPRESSURE: 1994400 -0.696704 127.226 -28.6538 65.7211 79.4584 -118.867 -134.935 -81.5789 166.649 PRESSAVG: 1994400 -45.699 -6.84474 14.8446 -6.84472 80.2755 -48.768 14.8446 -48.768 -59.7827 GPRESSAVG: 1994400 -44.9244 -4.16246 13.0461 -10.3686 79.8363 -48.9173 15.4199 -49.7318 -59.7143 TIMING: 1994400 CPU: 5781.83, 0.00289341/step Wall: 5781.83, 0.00289341/step, 2.41567 hours remaining, 207.871094 MB of memory in use. ENERGY: 1994400 723.2747 2071.6649 1971.7839 117.9742 -206383.2785 17924.3830 0.0000 0.0000 34400.6979 -149173.4999 300.4299 -183574.1978 -149078.7700 299.4691 47.1947 81.8036 557657.4538 -8.4021 -8.2675 PRESSURE: 1994600 9.46018 -3.17884 -10.2101 -3.17788 -10.3092 180.153 -10.2096 180.153 -49.0669 GPRESSURE: 1994600 21.0004 -10.0433 69.4362 48.7098 67.9384 176.89 -72.4959 103.859 -44.4387 PRESSAVG: 1994600 -11.5781 37.9697 -47.809 37.9697 30.2724 -0.394019 -47.809 -0.393974 -63.9129 GPRESSAVG: 1994600 -11.7175 36.5178 -46.8186 40.2928 30.0426 -0.685202 -48.8498 1.73601 -64.2035 TIMING: 1994600 CPU: 5782.41, 0.00291858/step Wall: 5782.41, 0.00291858/step, 2.43653 hours remaining, 207.871094 MB of memory in use. ENERGY: 1994600 735.9671 2114.7106 1953.7435 122.7064 -205919.0044 17613.3548 0.0000 0.0000 34294.8531 -149083.6689 299.5055 -183378.5220 -148985.9572 300.0221 -16.6387 14.8334 557255.8046 -15.0728 -15.2928 PRESSURE: 1994800 232.37 -216.731 24.8989 -216.731 -92.876 68.6459 24.8998 68.6464 -114.51 GPRESSURE: 1994800 225.654 -238.243 0.687965 -154.709 21.6927 56.6411 -11.5997 28.9657 -121.316 PRESSAVG: 1994800 -7.98884 -6.58063 -13.341 -6.58075 51.5407 50.2678 -13.341 50.2678 -21.9929 GPRESSAVG: 1994800 -8.41968 -7.17574 -13.7662 -5.5422 51.9653 50.72 -12.6589 49.5644 -21.88 TIMING: 1994800 CPU: 5782.99, 0.00289418/step Wall: 5782.99, 0.00289418/step, 2.41599 hours remaining, 207.871094 MB of memory in use. ENERGY: 1994800 746.3443 2066.2960 1996.4118 112.3210 -206200.8164 17998.3525 0.0000 0.0000 34147.4147 -149133.6762 298.2179 -183281.0908 -149035.8650 299.6184 8.3277 42.0102 557445.3805 7.1863 7.2219 PRESSURE: 1995000 74.54 116.469 -110.556 116.469 -88.1307 31.0926 -110.556 31.0922 -82.1751 GPRESSURE: 1995000 87.2926 143.744 -9.25752 148.069 -73.5423 34.4423 -208.703 -34.5456 -19.8862 PRESSAVG: 1995000 34.488 16.7147 8.58781 16.7147 -9.20475 19.7538 8.58777 19.7538 6.5493 GPRESSAVG: 1995000 34.4393 18.6953 9.2432 13.8334 -9.92226 20.4293 8.34437 17.2027 6.66508 TIMING: 1995000 CPU: 5783.57, 0.0028964/step Wall: 5783.57, 0.0028964/step, 2.41769 hours remaining, 207.871094 MB of memory in use. ENERGY: 1995000 786.1012 2139.5725 1942.0195 122.2092 -205836.1195 17565.5401 0.0000 0.0000 34296.0799 -148984.5971 299.5162 -183280.6770 -148889.2852 299.5909 -31.9219 -2.0453 557813.4482 10.6109 10.3940 PRESSURE: 1995200 -52.982 -107.589 -10.3315 -107.587 34.2598 -21.1037 -10.3303 -21.1044 280.288 GPRESSURE: 1995200 11.5799 -103.256 22.4103 -137.454 70.0987 -18.5637 22.2937 -84.0303 275.215 PRESSAVG: 1995200 -20.1599 6.75953 -57.9919 6.75953 3.64479 26.067 -57.9918 26.067 5.59258 GPRESSAVG: 1995200 -20.1373 5.2455 -58.0014 11.4986 2.50464 23.5301 -58.4431 27.8921 6.10536 TIMING: 1995200 CPU: 5784.14, 0.00286105/step Wall: 5784.14, 0.00286105/step, 2.38802 hours remaining, 207.871094 MB of memory in use. ENERGY: 1995200 747.6931 2105.0564 1978.0586 115.6496 -206168.1520 17924.9352 0.0000 0.0000 34206.3779 -149090.3812 298.7328 -183296.7591 -149002.0680 300.1147 87.1886 118.9644 556986.9690 -3.6408 -3.8424 PRESSURE: 1995400 -236.903 73.2989 -13.0633 73.2976 -62.1905 134.959 -13.0628 134.96 -153.85 GPRESSURE: 1995400 -185.52 21.088 -27.0136 43.0482 -35.2907 139.741 -9.18015 125.556 -138.981 PRESSAVG: 1995400 -78.593 27.2229 5.9606 27.2229 54.7944 -4.18305 5.96056 -4.18302 53.1291 GPRESSAVG: 1995400 -79.0108 25.3824 6.29905 26.2977 55.8208 -1.36306 6.87971 -3.13738 52.8198 TIMING: 1995400 CPU: 5784.72, 0.00288408/step Wall: 5784.72, 0.00288408/step, 2.40708 hours remaining, 207.871094 MB of memory in use. ENERGY: 1995400 761.6634 2092.8774 1991.5028 131.7740 -205821.5528 17570.4841 0.0000 0.0000 34136.3728 -149136.8783 298.1214 -183273.2511 -149040.7341 299.4300 -150.9812 -119.9308 557401.9710 9.7768 9.8766 PRESSURE: 1995600 88.3791 193.444 97.9729 193.446 -108.401 188.708 97.9733 188.709 -237.489 GPRESSURE: 1995600 108.478 71.924 68.5392 250.83 -130.196 130.694 167.117 214.8 -130.552 PRESSAVG: 1995600 -66.7797 -16.9186 13.6517 -16.9186 14.9964 16.7569 13.6518 16.7569 60.5578 GPRESSAVG: 1995600 -65.5352 -15.7767 13.3089 -17.7066 13.6441 17.6461 10.4692 14.8576 60.3633 TIMING: 1995600 CPU: 5785.3, 0.002888/step Wall: 5785.3, 0.002888/step, 2.4102 hours remaining, 207.871094 MB of memory in use. ENERGY: 1995600 738.4707 2094.7597 1972.1390 133.0248 -206172.4245 17693.3217 0.0000 0.0000 34425.2909 -149115.4177 300.6446 -183540.7086 -149018.7644 299.9165 -85.8369 -50.7565 557455.9796 2.9248 2.8241 PRESSURE: 1995800 -123.059 -8.37805 0.549966 -8.37795 -69.1008 85.0757 0.548543 85.0755 -163.653 GPRESSURE: 1995800 -199.018 5.23169 77.4749 -65.4298 -15.87 49.0922 10.7431 144.209 -36.9189 PRESSAVG: 1995800 -42.6133 6.83912 10.4187 6.83918 11.8651 3.44107 10.4187 3.44118 3.22003 GPRESSAVG: 1995800 -44.28 8.51852 11.039 5.22007 13.7796 2.31563 11.4716 3.51833 3.02357 TIMING: 1995800 CPU: 5785.87, 0.00287852/step Wall: 5785.87, 0.00287852/step, 2.40213 hours remaining, 207.871094 MB of memory in use. ENERGY: 1995800 738.6253 2126.5661 1958.1002 109.6773 -205651.4725 17366.7900 0.0000 0.0000 34383.9814 -148967.7322 300.2839 -183351.7136 -148863.1330 299.5556 -118.6043 -83.9357 557125.4441 -9.1761 -9.1589 PRESSURE: 1996000 -173.788 15.7021 30.7028 15.7012 131.155 111.796 30.7023 111.795 -327.647 GPRESSURE: 1996000 -170.6 53.2082 34.8459 77.4581 123.005 -26.4499 -25.1183 225.252 -228.501 PRESSAVG: 1996000 11.1535 8.81032 20.498 8.81036 6.45802 8.57104 20.4981 8.57103 -2.17567 GPRESSAVG: 1996000 12.0977 7.21104 20.3444 7.42993 5.21399 8.05692 20.2601 10.3329 -2.08028 TIMING: 1996000 CPU: 5786.45, 0.00290203/step Wall: 5786.45, 0.00290203/step, 2.42158 hours remaining, 207.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1996000 740.6401 2116.0314 1978.3424 121.7701 -206226.5543 17662.4206 0.0000 0.0000 34678.9824 -148928.3673 302.8602 -183607.3497 -148823.4859 300.6974 -123.4270 -92.0324 558330.0342 5.1453 5.0771 PRESSURE: 1996200 64.3788 -81.0874 -63.7333 -81.0876 294.609 -255.078 -63.7337 -255.078 117.209 GPRESSURE: 1996200 87.7651 -59.7543 -95.4272 -77.6303 327.618 -245.318 -114.598 -237.444 175.652 PRESSAVG: 1996200 0.535806 38.9234 6.56983 38.9234 -12.691 -6.84819 6.5699 -6.84818 32.8245 GPRESSAVG: 1996200 -0.214034 40.1336 5.50738 40.0592 -11.5253 -6.93021 6.13165 -7.73188 32.7241 TIMING: 1996200 CPU: 5787.03, 0.00290291/step Wall: 5787.03, 0.00290291/step, 2.42216 hours remaining, 207.871094 MB of memory in use. ENERGY: 1996200 754.6347 2124.9383 2007.1083 120.3754 -206799.4523 18099.9300 0.0000 0.0000 34501.4718 -149190.9937 301.3099 -183692.4655 -149102.0993 299.8591 158.7323 197.0115 555690.9998 6.8898 6.9949 LDB: ============= START OF LOAD BALANCING ============== 5790.42 LDB: ============== END OF LOAD BALANCING =============== 5790.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5790.42 LDB: ============= START OF LOAD BALANCING ============== 5790.71 LDB: Largest compute 4820 load 0.023967 is 20.3% of average load 0.117968 LDB: Average compute 0.001737 is 1.5% of average load 0.117968 LDB: TIME 5790.71 LOAD: AVG 0.117968 MAX 0.179055 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.363 MB LDB: TIME 5790.71 LOAD: AVG 0.117968 MAX 0.179055 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.477 MB LDB: TIME 5790.71 LOAD: AVG 0.117968 MAX 0.179055 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5790.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5790.72 PRESSURE: 1996400 -45.6666 -47.1735 175.967 -47.1738 -129.033 145.638 175.968 145.638 -67.2093 GPRESSURE: 1996400 42.1514 -57.8047 122.568 -8.86441 -71.0945 134.803 220.897 99.8926 -97.6108 PRESSAVG: 1996400 -1.18944 -15.4853 7.35032 -15.4853 0.210994 -18.4485 7.35027 -18.4484 38.8064 GPRESSAVG: 1996400 -2.12402 -15.9951 6.98933 -14.3706 -0.618065 -18.7016 7.52594 -18.3256 40.9402 TIMING: 1996400 CPU: 5787.62, 0.00294245/step Wall: 5787.62, 0.00294245/step, 2.45498 hours remaining, 209.441406 MB of memory in use. ENERGY: 1996400 770.0903 2075.4302 1959.4217 113.4867 -206086.5924 17742.7212 0.0000 0.0000 34243.4376 -149182.0047 299.0565 -183425.4422 -149085.9545 299.9951 -80.6361 -42.1846 557860.2528 12.6093 12.7327 PRESSURE: 1996600 39.5946 -8.4635 -102.132 -8.46521 -136.439 57.9133 -102.131 57.9136 -129.04 GPRESSURE: 1996600 140.991 -39.5619 -114.346 33.9456 -123.341 94.3057 -65.5064 57.5834 -134.731 PRESSAVG: 1996600 38.7194 26.3663 14.3423 26.3664 -26.5199 -14.6375 14.3425 -14.6375 0.106573 GPRESSAVG: 1996600 39.8542 26.3587 15.2691 26.3937 -26.908 -14.0721 13.6101 -13.7154 -1.02243 TIMING: 1996600 CPU: 5788.2, 0.00289113/step Wall: 5788.2, 0.00289113/step, 2.41201 hours remaining, 209.644531 MB of memory in use. ENERGY: 1996600 767.7263 2138.3639 1957.1625 103.6077 -206161.9587 17631.1716 0.0000 0.0000 34300.2494 -149263.6773 299.5526 -183563.9267 -149171.4890 298.8645 -75.2948 -39.0270 557082.8262 4.1020 3.9746 PRESSURE: 1996800 77.6881 196.05 -113.977 196.049 -105.075 -167.926 -113.979 -167.924 -194.75 GPRESSURE: 1996800 101.402 136.332 -118.739 267.646 -88.7324 -180.657 -64.3594 -181.602 -147.195 PRESSAVG: 1996800 22.8368 -2.45827 -4.23697 -2.4582 -24.0507 -48.2014 -4.23702 -48.2013 36.3685 GPRESSAVG: 1996800 21.7276 -0.935445 -5.10551 -4.88656 -23.099 -49.7957 -0.618663 -50.1919 36.2972 TIMING: 1996800 CPU: 5788.78, 0.00289905/step Wall: 5788.78, 0.00289905/step, 2.41845 hours remaining, 209.769531 MB of memory in use. ENERGY: 1996800 793.5175 2087.1493 1940.5972 113.2056 -205949.2273 17591.0311 0.0000 0.0000 34011.7968 -149411.9298 297.0335 -183423.7267 -149314.9683 299.0194 -74.0458 -44.8420 555252.1989 11.7182 11.6419 PRESSURE: 1997000 -191.938 49.0945 36.7841 49.0949 -72.4331 -43.868 36.7833 -43.8673 87.1264 GPRESSURE: 1997000 -183.611 1.1215 9.89734 101.52 -5.66115 -12.6873 18.3063 -40.3671 112.017 PRESSAVG: 1997000 3.61202 58.2044 30.8248 58.2045 -17.4401 -22.0897 30.8247 -22.0897 24.4702 GPRESSAVG: 1997000 3.78099 56.2325 32.5161 61.0761 -17.2052 -21.031 28.3465 -20.5772 23.9439 TIMING: 1997000 CPU: 5789.36, 0.00289094/step Wall: 5789.36, 0.00289094/step, 2.41153 hours remaining, 209.769531 MB of memory in use. ENERGY: 1997000 742.9564 2118.5011 1968.7447 107.1995 -206229.1048 17855.1660 0.0000 0.0000 34087.1708 -149349.3664 297.6917 -183436.5372 -149250.3991 298.8910 -59.0817 -25.7517 557922.5999 3.5474 3.5066 PRESSURE: 1997200 -134.958 71.7506 -53.9314 71.7511 -70.5413 46.512 -53.9301 46.5105 45.7814 GPRESSURE: 1997200 -50.3958 75.1202 100.726 -20.6154 -62.3761 47.9687 -133.714 -34.4466 39.6719 PRESSAVG: 1997200 -22.2079 18.5122 0.652232 18.5123 28.6883 -61.8618 0.652136 -61.8619 35.4442 GPRESSAVG: 1997200 -21.6736 19.1192 -0.515108 16.9093 28.136 -62.3997 -0.992495 -62.0889 35.4704 TIMING: 1997200 CPU: 5789.94, 0.00290228/step Wall: 5789.94, 0.00290228/step, 2.42083 hours remaining, 209.769531 MB of memory in use. ENERGY: 1997200 713.7964 2115.7957 1961.9187 116.3665 -206480.3869 17768.0051 0.0000 0.0000 34442.7475 -149361.7570 300.7971 -183804.5045 -149261.6056 299.2358 -53.2392 -24.3667 556435.7731 13.9749 13.9776 PRESSURE: 1997400 -182.361 67.8298 -75.4321 67.8296 -141.963 -16.0514 -75.4315 -16.0514 -128.996 GPRESSURE: 1997400 -129.207 149.401 -105.727 105.83 -124.507 2.60132 -100.871 -50.2248 -101.943 PRESSAVG: 1997400 -26.0046 5.63965 -61.0417 5.63966 40.69 -19.8998 -61.0416 -19.8997 8.78336 GPRESSAVG: 1997400 -26.0433 4.06663 -59.6518 8.21177 40.352 -19.2851 -60.2379 -20.5604 9.10554 TIMING: 1997400 CPU: 5790.52, 0.00291314/step Wall: 5790.52, 0.00291314/step, 2.42972 hours remaining, 209.769531 MB of memory in use. ENERGY: 1997400 764.3395 2087.4731 1947.7456 104.1646 -205989.7437 17511.8267 0.0000 0.0000 34266.4774 -149307.7168 299.2577 -183574.1942 -149213.4320 299.0634 -151.1065 -118.5520 557474.7546 7.8229 7.8048 PRESSURE: 1997600 2.80487 122.432 -57.1013 122.431 148.033 -94.4713 -57.1024 -94.4721 -238.801 GPRESSURE: 1997600 25.3007 116.444 -13.2166 96.4625 176.586 -133.025 -98.3192 -33.4707 -204.493 PRESSAVG: 1997600 5.8326 28.8802 -32.8782 28.8803 -6.7996 -7.63514 -32.8783 -7.63525 -41.1677 GPRESSAVG: 1997600 5.49781 30.6764 -33.2023 25.5301 -5.90327 -7.39611 -31.5923 -6.22963 -41.7713 TIMING: 1997600 CPU: 5791.11, 0.00292037/step Wall: 5791.11, 0.00292037/step, 2.43559 hours remaining, 209.769531 MB of memory in use. ENERGY: 1997600 744.2732 2064.4651 1954.8418 102.5716 -206346.2153 17885.8757 0.0000 0.0000 34314.3769 -149279.8110 299.6760 -183594.1880 -149183.3562 298.9694 -29.3208 -0.8688 558000.7477 -14.0449 -14.0589 PRESSURE: 1997800 -62.3548 -54.4965 188.161 -54.4969 -183.26 130.557 188.161 130.557 -120.601 GPRESSURE: 1997800 -78.3388 -64.0443 162.971 -37.3871 -153.679 141.88 140.849 89.5044 -42.4982 PRESSAVG: 1997800 -30.0144 10.0412 21.6201 10.0412 64.9818 -26.557 21.6201 -26.557 -8.195 GPRESSAVG: 1997800 -29.3572 10.9408 20.7971 10.3243 63.1105 -28.7565 21.1584 -24.7796 -7.25526 TIMING: 1997800 CPU: 5791.69, 0.00293063/step Wall: 5791.69, 0.00293063/step, 2.44398 hours remaining, 209.769531 MB of memory in use. ENERGY: 1997800 759.2956 2079.8572 1927.6077 108.9396 -206072.7982 17743.4977 0.0000 0.0000 34341.0937 -149112.5066 299.9093 -183453.6003 -149011.7218 299.6686 -122.0719 -91.5052 559492.6575 8.9241 8.8327 PRESSURE: 1998000 18.3108 52.9185 -59.5226 52.9203 -203.948 -81.8498 -59.5228 -81.8499 149.477 GPRESSURE: 1998000 25.7506 93.0485 1.292 55.3914 -159.719 -58.7708 14.5978 -178.172 191.493 PRESSAVG: 1998000 -37.0596 21.476 -0.842344 21.4761 -18.6555 -41.6853 -0.842314 -41.6854 38.0743 GPRESSAVG: 1998000 -37.266 19.9531 -0.622543 22.6874 -17.8513 -38.3305 -0.209172 -46.5725 37.4025 TIMING: 1998000 CPU: 5792.28, 0.0029152/step Wall: 5792.28, 0.0029152/step, 2.43095 hours remaining, 209.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1998000 727.8238 2124.3811 1969.6457 111.7582 -206306.6419 17885.9120 0.0000 0.0000 34298.9264 -149188.1949 299.5411 -183487.1212 -149093.4131 300.1794 -12.0537 19.1750 558398.4631 -5.8803 -5.9049 PRESSURE: 1998200 24.033 58.1914 -32.7086 58.1921 99.822 -170.323 -32.7079 -170.323 65.7495 GPRESSURE: 1998200 48.375 -37.5357 -36.3541 12.0678 145.882 -127.482 -114.758 -169.267 84.403 PRESSAVG: 1998200 38.4806 -46.8906 -38.2531 -46.8905 -92.113 -46.6595 -38.2532 -46.6595 57.8619 GPRESSAVG: 1998200 37.3977 -46.4842 -37.5235 -48.2597 -91.712 -47.5547 -38.0294 -44.5393 58.493 TIMING: 1998200 CPU: 5792.86, 0.0029225/step Wall: 5792.86, 0.0029225/step, 2.43688 hours remaining, 209.769531 MB of memory in use. ENERGY: 1998200 785.7130 2034.4367 1953.8974 107.6394 -206466.0186 17906.0478 0.0000 0.0000 34481.1425 -149197.1419 301.1324 -183678.2844 -149098.4722 299.1082 63.2015 92.8866 556452.5649 1.4098 1.3929 PRESSURE: 1998400 -168.298 -16.5197 97.1406 -16.522 -185.221 -100.48 97.1403 -100.481 -140.831 GPRESSURE: 1998400 -106.855 -39.166 89.5774 34.0667 -170.691 -17.6424 115.023 -138.796 -116.599 PRESSAVG: 1998400 -16.5176 -30.3351 -46.4747 -30.3351 30.1705 -23.1714 -46.4748 -23.1713 38.2406 GPRESSAVG: 1998400 -15.5472 -30.196 -48.9177 -27.0272 29.8243 -23.8002 -48.0347 -24.2901 37.2606 TIMING: 1998400 CPU: 5793.44, 0.00291427/step Wall: 5793.44, 0.00291427/step, 2.42985 hours remaining, 209.769531 MB of memory in use. ENERGY: 1998400 789.3594 2092.9015 1939.3010 107.2659 -206000.8648 17684.3535 0.0000 0.0000 34223.6634 -149164.0201 298.8838 -183387.6835 -149068.8555 299.3037 -164.7832 -131.3817 557048.2944 17.2978 17.1792 PRESSURE: 1998600 -283.59 -101.878 -22.4007 -101.879 -258.234 -144.728 -22.3994 -144.728 143.54 GPRESSURE: 1998600 -207.319 -40.4614 -91.4735 -41.7742 -251.835 -123.968 -3.49054 -145.984 159.533 PRESSAVG: 1998600 -22.57 18.1784 -14.7746 18.1783 -15.0159 -15.4372 -14.7746 -15.4372 62.5742 GPRESSAVG: 1998600 -21.5613 17.6484 -13.0045 16.5168 -15.3805 -14.6254 -16.3469 -15.0503 61.8296 TIMING: 1998600 CPU: 5794.02, 0.00288261/step Wall: 5794.02, 0.00288261/step, 2.4033 hours remaining, 209.769531 MB of memory in use. ENERGY: 1998600 760.9369 2061.8222 1959.6480 101.4723 -206108.3311 17606.3727 0.0000 0.0000 34291.5814 -149326.4975 299.4769 -183618.0789 -149230.6231 299.0344 -132.7614 -99.8736 558018.8668 8.3294 8.2959 PRESSURE: 1998800 92.5369 115.367 -129.559 115.368 209.882 -174.284 -129.559 -174.287 -59.0656 GPRESSURE: 1998800 129.669 72.3756 -212.661 134.791 215.616 -136.886 -86.6429 -203.507 -3.86074 PRESSAVG: 1998800 18.3936 49.8451 -28.9145 49.8452 -56.1674 6.96075 -28.9145 6.96076 20.7604 GPRESSAVG: 1998800 16.6413 52.6872 -29.9353 49.1441 -55.5128 5.6153 -26.3313 7.94344 21.8083 TIMING: 1998800 CPU: 5794.6, 0.00288121/step Wall: 5794.6, 0.00288121/step, 2.40197 hours remaining, 209.769531 MB of memory in use. ENERGY: 1998800 788.9065 2073.5345 1924.4265 111.3925 -206546.1725 18073.5172 0.0000 0.0000 34260.0294 -149314.3659 299.2014 -183574.3953 -149222.2651 299.3368 81.1178 113.8082 556398.4620 -5.6711 -5.6877 PRESSURE: 1999000 -205.592 19.6836 -149.661 19.685 -140.553 124.572 -149.662 124.572 -305.225 GPRESSURE: 1999000 -214.434 -40.4368 -104.992 97.8858 -89.4476 25.6745 -165.68 89.1199 -247.353 PRESSAVG: 1999000 18.6849 36.1325 -19.2812 36.1326 -40.03 26.3733 -19.2812 26.3733 0.346943 GPRESSAVG: 1999000 18.9644 33.5564 -17.9676 35.0681 -39.7746 26.7901 -19.6009 25.349 0.244918 TIMING: 1999000 CPU: 5795.18, 0.00290574/step Wall: 5795.18, 0.00290574/step, 2.42226 hours remaining, 209.769531 MB of memory in use. ENERGY: 1999000 760.7922 2023.1637 1974.1072 111.2157 -205866.6863 17471.0403 0.0000 0.0000 34319.7670 -149206.6002 299.7231 -183526.3672 -149112.7831 298.9166 -217.1234 -183.7449 557118.3572 -6.9994 -6.8551 PRESSURE: 1999200 82.7474 133.653 47.6787 133.652 -3.02763 -1.73964 47.6786 -1.74144 35.2431 GPRESSURE: 1999200 76.0002 76.7431 14.7026 98.041 61.1729 -15.8387 97.6324 29.5805 67.4835 PRESSAVG: 1999200 26.473 46.0469 -9.57433 46.047 6.55156 -7.92465 -9.57425 -7.9247 -3.12949 GPRESSAVG: 1999200 25.9138 46.8313 -9.92502 46.8408 5.75621 -7.8463 -9.97696 -7.39615 -2.0554 TIMING: 1999200 CPU: 5795.76, 0.00289851/step Wall: 5795.76, 0.00289851/step, 2.41607 hours remaining, 209.769531 MB of memory in use. ENERGY: 1999200 796.7815 2115.3583 1941.5825 104.3791 -206546.1564 17859.9795 0.0000 0.0000 34341.5348 -149386.5406 299.9132 -183728.0754 -149293.4037 299.4567 38.3210 68.2189 556160.9257 9.9650 9.8715 PRESSURE: 1999400 -138.499 -217.668 -156.015 -217.669 -53.4867 44.2581 -156.015 44.2578 223.199 GPRESSURE: 1999400 -50.9054 -182.494 -176.722 -234.064 -39.1248 53.8401 -123.63 90.4295 213.347 PRESSAVG: 1999400 64.2503 -3.66232 -17.8064 -3.66232 -66.0239 15.0321 -17.8065 15.032 14.42 GPRESSAVG: 1999400 65.1807 -3.84105 -18.5927 -3.66818 -65.0021 16.1026 -16.7526 15.039 12.6657 TIMING: 1999400 CPU: 5796.33, 0.00289104/step Wall: 5796.33, 0.00289104/step, 2.40969 hours remaining, 209.769531 MB of memory in use. ENERGY: 1999400 759.2717 2123.9990 1965.1211 120.4481 -206573.0582 17867.1314 0.0000 0.0000 34416.3127 -149320.7742 300.5662 -183737.0868 -149222.2598 299.5279 10.4044 41.1058 555994.9574 4.2155 4.2814 PRESSURE: 1999600 68.0222 -4.86458 -94.6512 -4.86625 -0.667604 5.0059 -94.6507 5.00714 21.0477 GPRESSURE: 1999600 113.473 -37.7953 -121.501 18.4474 71.9308 8.51503 -35.2229 63.1336 4.59347 PRESSAVG: 1999600 -25.9814 30.1077 -26.3106 30.1077 25.6354 41.6617 -26.3105 41.6617 43.5141 GPRESSAVG: 1999600 -25.513 29.0521 -25.2827 31.0015 25.3556 42.6784 -25.5862 41.7699 43.0465 TIMING: 1999600 CPU: 5796.92, 0.00290611/step Wall: 5796.92, 0.00290611/step, 2.42208 hours remaining, 209.769531 MB of memory in use. ENERGY: 1999600 712.7237 2039.1363 1959.9353 115.4441 -206427.6689 17938.4872 0.0000 0.0000 34185.9258 -149476.0165 298.5542 -183661.9423 -149376.8542 299.1718 29.4674 63.3325 557603.2963 14.3894 14.2964 PRESSURE: 1999800 -249.66 99.2109 -6.09941 99.2111 -171.832 16.1978 -6.09927 16.1981 -118.246 GPRESSURE: 1999800 -199.057 135.868 47.6139 43.6506 -136.915 16.7714 -44.6811 25.5625 -103.301 PRESSAVG: 1999800 52.5325 -16.0606 -2.98244 -16.0606 -25.7389 21.4952 -2.98236 21.4952 -27.0642 GPRESSAVG: 1999800 51.5409 -14.2358 -0.113694 -17.2884 -25.2333 20.7496 -6.62754 20.2933 -26.3987 TIMING: 1999800 CPU: 5797.49, 0.00289507/step Wall: 5797.49, 0.00289507/step, 2.41272 hours remaining, 209.769531 MB of memory in use. ENERGY: 1999800 789.6198 2091.9983 1979.9286 114.4848 -206038.6933 17549.3305 0.0000 0.0000 34249.9868 -149263.3445 299.1137 -183513.3313 -149177.1224 299.0279 -179.9128 -146.4245 558769.2183 -0.0902 -0.0304 PRESSURE: 2000000 273.928 -233.171 -29.4221 -233.173 -140.629 -32.8801 -29.4228 -32.8805 -281.927 GPRESSURE: 2000000 281.785 -140.947 6.7568 -353.627 -132.652 56.8846 -74.9795 -66.4213 -198.133 PRESSAVG: 2000000 -18.3873 16.2493 1.04758 16.2493 -18.3952 32.0478 1.04768 32.0478 22.1594 GPRESSAVG: 2000000 -17.3331 15.07 -1.59922 16.4262 -18.4193 30.1199 1.61857 34.1322 21.8112 TIMING: 2000000 CPU: 5798.07, 0.00290062/step Wall: 5798.07, 0.00290062/step, 2.41719 hours remaining, 209.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2000000 753.9566 2088.9517 1947.2325 123.8004 -206272.6828 17808.1437 0.0000 0.0000 34346.0225 -149204.5754 299.9524 -183550.5979 -149110.7898 299.5884 -49.5429 -16.3332 557548.9013 -4.8744 -4.6470 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2000000 WRITING COORDINATES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2000200 -90.7917 145.73 36.4878 145.73 161.518 -47.2728 36.4871 -47.2725 67.294 GPRESSURE: 2000200 -35.2786 145.327 -1.06951 134.094 191.122 -37.2249 147.383 -140.632 75.3216 PRESSAVG: 2000200 -47.7354 25.3958 16.4668 25.3957 16.8902 8.86922 16.4668 8.8691 29.0693 GPRESSAVG: 2000200 -47.9084 25.2464 15.9216 26.9689 17.0316 9.63439 18.4428 9.29099 29.8571 TIMING: 2000200 CPU: 5798.72, 0.00320288/step Wall: 5798.72, 0.00320289/step, 2.66889 hours remaining, 209.894531 MB of memory in use. ENERGY: 2000200 749.0960 2088.3426 1941.6836 111.9639 -206194.6181 17839.9629 0.0000 0.0000 34157.0954 -149306.4736 298.3024 -183463.5690 -149212.0444 299.0227 46.0068 77.0551 556903.9528 -0.5920 -0.3399 LDB: ============= START OF LOAD BALANCING ============== 5802.1 LDB: ============== END OF LOAD BALANCING =============== 5802.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5802.1 LDB: ============= START OF LOAD BALANCING ============== 5802.39 LDB: Largest compute 4820 load 0.022651 is 19.2% of average load 0.117918 LDB: Average compute 0.001741 is 1.5% of average load 0.117918 LDB: TIME 5802.4 LOAD: AVG 0.117918 MAX 0.181401 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 5802.4 LOAD: AVG 0.117918 MAX 0.181401 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 5802.4 LOAD: AVG 0.117918 MAX 0.181401 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: ============== END OF LOAD BALANCING =============== 5802.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5802.4 PRESSURE: 2000400 76.1904 94.9326 67.3326 94.9336 8.68718 -57.2382 67.3322 -57.2387 -158.293 GPRESSURE: 2000400 104.355 90.3708 58.7938 100.547 60.9643 -12.1656 63.1736 30.1053 -138.551 PRESSAVG: 2000400 5.76947 14.6657 7.31236 14.6657 -10.5788 -5.11808 7.3123 -5.1181 37.494 GPRESSAVG: 2000400 5.26102 14.4334 8.00093 13.3027 -11.2168 -6.80229 5.20592 -4.9871 38.694 TIMING: 2000400 CPU: 5799.31, 0.00295429/step Wall: 5799.31, 0.00295429/step, 2.46158 hours remaining, 210.343750 MB of memory in use. ENERGY: 2000400 767.2106 2089.2106 1990.8951 117.3865 -206327.2955 17946.3574 0.0000 0.0000 34002.3502 -149413.8853 296.9510 -183416.2354 -149317.5494 298.2901 -24.4718 8.9228 557949.1429 10.8949 10.9127 PRESSURE: 2000600 -201.958 141.464 -62.335 141.464 34.7841 86.1299 -62.3348 86.1303 -62.1057 GPRESSURE: 2000600 -236.081 82.9949 -28.8951 181.25 111.52 9.4672 -9.07019 97.1578 -8.11924 PRESSAVG: 2000600 37.0065 26.027 -4.34746 26.027 14.5442 27.7228 -4.3475 27.7229 -67.4815 GPRESSAVG: 2000600 37.1852 27.3929 -2.01287 26.1547 14.9938 30.0404 -3.93232 26.1504 -68.1685 TIMING: 2000600 CPU: 5799.89, 0.00291631/step Wall: 5799.89, 0.00291631/step, 2.42978 hours remaining, 210.343750 MB of memory in use. ENERGY: 2000600 753.0438 2122.7073 1964.6164 107.5577 -206240.4008 17757.4670 0.0000 0.0000 34374.8944 -149160.1141 300.2045 -183535.0085 -149057.0818 299.0459 -76.4264 -44.2268 557282.3773 -5.3102 -5.3298 PRESSURE: 2000800 -91.2909 -64.8221 -277.658 -64.8213 10.8937 -79.2576 -277.66 -79.2565 54.0197 GPRESSURE: 2000800 -17.11 -85.5596 -241.339 -30.1268 3.35501 34.6265 -375.968 -103.377 74.4353 PRESSAVG: 2000800 -35.5699 -3.71104 -39.8963 -3.71106 40.8403 20.6959 -39.8964 20.6958 20.3496 GPRESSAVG: 2000800 -36.1844 -4.61186 -42.1717 -3.49187 40.7179 19.2656 -39.9091 20.135 21.4919 TIMING: 2000800 CPU: 5800.47, 0.00288122/step Wall: 5800.47, 0.00288122/step, 2.40038 hours remaining, 210.343750 MB of memory in use. ENERGY: 2000800 769.0415 2071.7046 1955.9690 103.4790 -206208.7667 17646.1773 0.0000 0.0000 34378.2509 -149284.1444 300.2338 -183662.3953 -149183.8850 299.3994 -8.7925 20.2268 555854.4729 8.5400 8.6751 PRESSURE: 2001000 121.719 -82.1191 -37.5062 -82.1207 -104.189 100.746 -37.5063 100.747 29.8592 GPRESSURE: 2001000 165.249 -92.9587 -110.67 -85.1024 -65.6749 123.365 -6.16373 116.665 48.8137 PRESSAVG: 2001000 36.7699 -10.9721 -22.8848 -10.9721 -68.6854 -34.8083 -22.8849 -34.8083 52.3177 GPRESSAVG: 2001000 36.2343 -9.86075 -23.5223 -11.3943 -66.1088 -33.4225 -21.3375 -35.1014 51.3005 TIMING: 2001000 CPU: 5801.04, 0.00287789/step Wall: 5801.04, 0.00287789/step, 2.39745 hours remaining, 210.343750 MB of memory in use. ENERGY: 2001000 738.0917 2059.3464 1959.2980 105.7037 -206255.4159 17976.6117 0.0000 0.0000 34188.9451 -149227.4192 298.5806 -183416.3643 -149132.3260 298.7290 15.7964 49.4625 557968.3592 6.8008 7.1420 PRESSURE: 2001200 235.042 -93.5528 -71.9688 -93.5517 24.1364 -16.9809 -71.968 -16.9813 -175.591 GPRESSURE: 2001200 229.395 8.44796 -33.1123 -61.0477 76.188 -16.2831 -93.4309 -97.9482 -124.189 PRESSAVG: 2001200 51.1859 10.301 4.05287 10.301 -35.192 -1.79697 4.05298 -1.79697 -31.7672 GPRESSAVG: 2001200 52.3033 9.22772 3.99522 10.5723 -36.8044 -1.35988 3.69888 -1.44067 -31.3637 TIMING: 2001200 CPU: 5801.62, 0.00289726/step Wall: 5801.62, 0.00289726/step, 2.41342 hours remaining, 210.343750 MB of memory in use. ENERGY: 2001200 715.4605 2050.0608 1985.2985 119.1120 -206305.9029 17815.6640 0.0000 0.0000 34270.3184 -149349.9886 299.2912 -183620.3070 -149259.0862 298.9101 27.8624 60.4646 557749.2069 -5.2578 -5.2882 PRESSURE: 2001400 77.4478 -235.977 -32.0161 -235.977 47.416 -82.0484 -32.0165 -82.048 55.6906 GPRESSURE: 2001400 64.2875 -136.307 23.0033 -224.698 159.924 -83.3633 -38.9748 -64.1434 49.5339 PRESSAVG: 2001400 19.1608 35.1699 -35.502 35.1699 -41.2987 -19.716 -35.502 -19.7161 70.8673 GPRESSAVG: 2001400 18.457 37.3637 -33.4051 33.3056 -40.6365 -18.6924 -35.5727 -20.0986 70.9485 TIMING: 2001400 CPU: 5802.2, 0.00289088/step Wall: 5802.2, 0.00289088/step, 2.40794 hours remaining, 210.343750 MB of memory in use. ENERGY: 2001400 741.5018 2065.4123 1947.8437 122.5323 -206173.4284 17763.1201 0.0000 0.0000 34229.5923 -149303.4259 298.9355 -183533.0182 -149210.0599 299.0504 60.1848 91.2484 556802.0074 16.2431 16.2563 PRESSURE: 2001600 -10.7745 -77.1584 -2.63936 -77.1582 -67.5684 -155.583 -2.63855 -155.586 7.60828 GPRESSURE: 2001600 25.8182 -103.16 117.883 -89.2298 -38.3974 -62.7822 3.10937 -185.483 34.2596 PRESSAVG: 2001600 19.5726 6.7401 -33.6511 6.74008 -13.7543 -52.0975 -33.6511 -52.0975 -33.8522 GPRESSAVG: 2001600 20.0682 4.28876 -35.3865 9.60124 -13.8035 -53.6131 -32.8748 -52.6447 -34.2419 TIMING: 2001600 CPU: 5802.78, 0.00291373/step Wall: 5802.78, 0.00291373/step, 2.42681 hours remaining, 210.343750 MB of memory in use. ENERGY: 2001600 744.4391 2110.4956 1938.8887 112.1173 -205983.1099 17668.8250 0.0000 0.0000 33958.5609 -149449.7834 296.5686 -183408.3443 -149361.9796 298.5196 -23.5782 7.2268 557637.3084 -9.3446 -9.3257 PRESSURE: 2001800 -50.8583 -31.8698 -76.66 -31.8694 216.189 -39.2476 -76.661 -39.248 90.1012 GPRESSURE: 2001800 66.5308 -57.3426 23.1449 10.8595 215.453 -1.95068 -106.928 -58.6411 69.6317 PRESSAVG: 2001800 -17.4266 5.32664 -34.5711 5.32672 66.4565 6.39863 -34.5711 6.39865 -30.0002 GPRESSAVG: 2001800 -16.8802 6.64031 -31.3386 4.30635 65.9676 6.47358 -36.7615 7.94898 -29.4748 TIMING: 2001800 CPU: 5803.37, 0.00292596/step Wall: 5803.37, 0.00292596/step, 2.43684 hours remaining, 210.343750 MB of memory in use. ENERGY: 2001800 715.1623 2051.8966 1970.0427 106.3471 -206479.3587 17865.3113 0.0000 0.0000 34352.6262 -149417.9725 300.0100 -183770.5986 -149315.6965 298.8179 85.1439 117.2052 556589.5790 6.3432 6.5376 PRESSURE: 2002000 -3.51538 -59.7496 24.5246 -59.7489 -137.991 -32.6003 24.5253 -32.6012 -290.901 GPRESSURE: 2002000 22.4269 15.7699 -15.7382 -35.7326 -151.22 -16.5713 -37.4732 -6.96832 -207.237 PRESSAVG: 2002000 -84.7157 7.40486 25.7704 7.40493 128.242 1.70371 25.7703 1.70373 -58.6807 GPRESSAVG: 2002000 -84.6944 7.95531 24.4295 7.33936 128.863 1.86791 28.0716 0.166274 -59.1525 TIMING: 2002000 CPU: 5803.94, 0.00288011/step Wall: 5803.94, 0.00288011/step, 2.39849 hours remaining, 210.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2002000 719.0664 2061.2955 1977.0260 129.1387 -206348.1918 17706.9261 0.0000 0.0000 34374.6261 -149380.1128 300.2022 -183754.7390 -149287.8018 298.6359 -144.1359 -112.0098 558413.4458 -5.0514 -4.9948 PRESSURE: 2002200 105.857 -139.381 9.14676 -139.383 -61.0986 -94.3976 9.14657 -94.396 173.791 GPRESSURE: 2002200 156.038 -107.319 -41.7567 -101.674 -2.78639 -68.6072 61.5379 -15.936 160.452 PRESSAVG: 2002200 13.2825 -3.53663 -8.46045 -3.53667 46.5861 44.2434 -8.46046 44.2434 5.33636 GPRESSAVG: 2002200 12.7302 -3.56667 -8.7388 -3.61764 47.2825 43.1337 -9.78968 45.4024 5.25337 TIMING: 2002200 CPU: 5804.52, 0.00289343/step Wall: 5804.52, 0.00289343/step, 2.40942 hours remaining, 210.343750 MB of memory in use. ENERGY: 2002200 791.5297 2062.7470 1995.1174 107.6815 -206812.9861 18292.6387 0.0000 0.0000 34195.1573 -149368.1145 298.6348 -183563.2718 -149273.3221 299.4244 72.8498 104.5680 557009.3815 21.7350 21.7554 PRESSURE: 2002400 38.5082 87.2986 60.5164 87.299 127.261 225.567 60.5164 225.566 166.156 GPRESSURE: 2002400 111.611 147.697 80.8907 1.70799 104.887 118.749 69.1447 205.374 227.37 PRESSAVG: 2002400 -14.7377 -11.4407 33.0865 -11.4407 15.2935 8.03022 33.0866 8.03016 27.4677 GPRESSAVG: 2002400 -13.7882 -11.6695 34.138 -11.4713 14.2536 8.78623 33.6073 6.29131 27.2516 TIMING: 2002400 CPU: 5805.1, 0.00289436/step Wall: 5805.1, 0.00289436/step, 2.41004 hours remaining, 210.343750 MB of memory in use. ENERGY: 2002400 763.0951 2051.7281 1960.8734 107.6398 -206613.3718 17945.7562 0.0000 0.0000 34504.3317 -149279.9475 301.3349 -183784.2792 -149186.1996 299.1670 110.6418 147.9561 556236.4615 9.3411 9.2390 PRESSURE: 2002600 -249.891 -29.7134 42.6748 -29.7134 95.962 -125.58 42.6732 -125.579 -42.1795 GPRESSURE: 2002600 -237.961 8.66704 18.7935 -54.8665 133.238 -160.717 137.16 -100.69 12.7903 PRESSAVG: 2002600 -42.8955 -19.3148 8.10585 -19.3147 11.5112 -85.141 8.10589 -85.141 57.9477 GPRESSAVG: 2002600 -44.2394 -20.6571 6.38812 -18.8949 12.5415 -84.9634 7.91945 -85.4237 58.6095 TIMING: 2002600 CPU: 5805.68, 0.00289082/step Wall: 5805.68, 0.00289082/step, 2.40693 hours remaining, 210.343750 MB of memory in use. ENERGY: 2002600 732.7784 2078.2625 1954.0347 126.2840 -206271.6712 17928.8688 0.0000 0.0000 34278.5207 -149172.9220 299.3628 -183451.4427 -149082.9612 298.9440 -65.3696 -30.6443 556841.4045 8.8544 8.9705 PRESSURE: 2002800 397.034 -4.56605 301.813 -4.56564 -11.8239 -32.831 301.814 -32.8325 -18.9118 GPRESSURE: 2002800 274.9 45.4273 383.478 6.86142 58.6638 -1.57673 172.456 31.0965 130.137 PRESSAVG: 2002800 -104.901 -39.071 42.9707 -39.0709 45.5868 29.1683 42.9707 29.1683 63.7357 GPRESSAVG: 2002800 -104.234 -38.8247 42.5227 -39.1658 44.176 28.4676 44.2833 31.3393 64.7032 TIMING: 2002800 CPU: 5806.25, 0.00287588/step Wall: 5806.25, 0.00287588/step, 2.39433 hours remaining, 210.343750 MB of memory in use. ENERGY: 2002800 728.3958 2110.9533 1948.0382 106.1721 -206656.9178 18260.1111 0.0000 0.0000 34346.4877 -149156.7595 299.9564 -183503.2472 -149067.6713 299.5386 122.0995 154.5669 555859.9914 1.4739 1.5484 PRESSURE: 2003000 154.782 59.3612 107.197 59.3604 52.7373 -73.0216 107.197 -73.022 -5.56888 GPRESSURE: 2003000 190.044 105.472 138.492 56.2291 95.9834 -64.8102 104.147 -172.672 17.4183 PRESSAVG: 2003000 53.6389 2.1544 60.2352 2.1544 -34.4378 -71.817 60.2352 -71.8171 25.7423 GPRESSAVG: 2003000 53.1073 3.07705 63.6061 2.2338 -33.7895 -70.5124 58.1422 -73.3339 25.3884 TIMING: 2003000 CPU: 5806.83, 0.00290392/step Wall: 5806.83, 0.00290392/step, 2.41751 hours remaining, 210.343750 MB of memory in use. ENERGY: 2003000 735.9130 2051.6910 1945.0573 112.0932 -206040.3058 17817.4382 0.0000 0.0000 34185.7923 -149192.3207 298.5530 -183378.1130 -149098.8052 299.8865 67.3167 101.1484 555624.2330 14.9811 14.9021 PRESSURE: 2003200 -163.807 18.0268 -178.042 18.0272 -411.171 121.954 -178.043 121.953 -289.491 GPRESSURE: 2003200 -175.688 10.4989 -204.532 39.641 -318.778 89.6834 -91.1812 133.411 -271.145 PRESSAVG: 2003200 17.2221 -11.4535 3.61283 -11.4535 -32.4892 -49.2049 3.6128 -49.205 31.9102 GPRESSAVG: 2003200 17.6823 -12.8747 1.6097 -12.2252 -33.2235 -50.0568 5.40203 -47.6868 31.8159 TIMING: 2003200 CPU: 5807.41, 0.00289522/step Wall: 5807.41, 0.00289522/step, 2.41011 hours remaining, 210.343750 MB of memory in use. ENERGY: 2003200 759.6658 2050.9450 1945.5460 112.7181 -205655.6731 17387.5390 0.0000 0.0000 34134.6608 -149264.5986 298.1065 -183399.2594 -149168.2284 298.7662 -288.1562 -255.2037 557252.2508 5.5477 5.4249 PRESSURE: 2003400 -17.7695 96.7643 -60.5441 96.7639 -39.3355 -148.52 -60.5442 -148.52 -277.943 GPRESSURE: 2003400 19.3361 140.257 -6.86275 85.8509 -45.997 -115.13 -83.4257 -181.057 -217.446 PRESSAVG: 2003400 21.558 7.26897 1.72896 7.26894 -13.1338 -7.19962 1.72887 -7.19962 -36.3859 GPRESSAVG: 2003400 20.5449 8.15406 2.18157 7.1418 -11.5949 -5.77339 1.75798 -9.92731 -36.8636 TIMING: 2003400 CPU: 5807.99, 0.00287066/step Wall: 5807.99, 0.00287066/step, 2.3895 hours remaining, 210.343750 MB of memory in use. ENERGY: 2003400 745.9825 2114.8155 1942.8761 112.2364 -206144.8877 17774.0316 0.0000 0.0000 34297.6037 -149157.3419 299.5295 -183454.9455 -149065.3106 299.1550 -111.6827 -81.3690 559171.8149 -9.3206 -9.3045 PRESSURE: 2003600 -106.561 -100.902 89.3002 -100.902 265.065 13.353 89.3 13.3516 82.6832 GPRESSURE: 2003600 -74.5073 -8.0931 59.2536 -170.39 261.064 38.4296 155.73 -29.1948 151.378 PRESSAVG: 2003600 -56.6838 -14.8584 -7.90118 -14.8584 36.6437 -33.8276 -7.90121 -33.8277 18.3525 GPRESSAVG: 2003600 -55.7884 -16.608 -5.72837 -14.659 36.2111 -33.1764 -7.9479 -34.7064 18.0059 TIMING: 2003600 CPU: 5808.56, 0.00288407/step Wall: 5808.56, 0.00288407/step, 2.40051 hours remaining, 210.343750 MB of memory in use. ENERGY: 2003600 735.6432 2055.0235 1969.1200 122.8430 -206350.7111 18103.8437 0.0000 0.0000 34272.9960 -149091.2417 299.3146 -183364.2377 -148988.5934 300.3312 80.3957 112.6450 558963.3051 -0.5625 -0.5238 PRESSURE: 2003800 -29.9755 -204.456 2.94442 -204.456 30.0388 -140.751 2.94419 -140.75 -313.235 GPRESSURE: 2003800 -32.414 -95.531 -13.9402 -302.302 66.7094 -89.3243 14.4263 -108.67 -238.74 PRESSAVG: 2003800 26.1836 -42.4787 44.2559 -42.4787 40.0927 12.3158 44.2559 12.3158 -48.3278 GPRESSAVG: 2003800 24.9344 -40.275 42.3056 -42.5556 41.4957 11.6325 44.5046 13.8762 -48.6894 TIMING: 2003800 CPU: 5809.15, 0.00290952/step Wall: 5809.15, 0.00290952/step, 2.42153 hours remaining, 210.343750 MB of memory in use. ENERGY: 2003800 749.6462 2032.1079 1977.3683 111.5490 -206058.4138 17553.6029 0.0000 0.0000 34409.5121 -149224.6275 300.5068 -183634.1395 -149124.6883 299.6387 -104.3905 -68.1482 558463.7852 5.9828 5.9136 PRESSURE: 2004000 16.6815 -140.679 43.5392 -140.68 165.045 178.009 43.5405 178.008 -344.375 GPRESSURE: 2004000 13.0852 -147.703 106.141 -172.896 212.23 95.0813 111.58 134.309 -291.758 PRESSAVG: 2004000 -18.7226 -18.9812 19.5016 -18.9811 67.9825 -33.61 19.5016 -33.6099 -58.2851 GPRESSAVG: 2004000 -17.0025 -20.3856 21.6616 -17.7637 65.4318 -35.9131 18.3405 -34.0701 -57.6113 TIMING: 2004000 CPU: 5809.73, 0.0029228/step Wall: 5809.73, 0.0029228/step, 2.43242 hours remaining, 210.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2004000 728.4205 2088.2752 1969.0733 132.1497 -205922.9499 17517.6521 0.0000 0.0000 34146.3410 -149341.0380 298.2085 -183487.3790 -149238.6485 298.9811 -54.2159 -22.1477 556956.6591 -3.0084 -3.0606 PRESSURE: 2004200 5.27714 12.3068 -134.12 12.3085 83.5995 8.05453 -134.12 8.05459 88.3328 GPRESSURE: 2004200 80.7912 -0.494138 -77.3424 8.78802 94.9666 -98.0079 -172.485 34.9641 106.536 PRESSAVG: 2004200 -63.2873 -3.82938 75.0181 -3.82942 22.9972 -18.0796 75.0182 -18.0795 -14.5768 GPRESSAVG: 2004200 -64.8423 -5.07835 73.9616 -3.24081 23.5525 -15.5769 76.0228 -17.1386 -13.0598 TIMING: 2004200 CPU: 5810.31, 0.00291028/step Wall: 5810.31, 0.00291028/step, 2.42184 hours remaining, 210.343750 MB of memory in use. ENERGY: 2004200 751.1492 2123.6032 1950.5476 118.9870 -206489.7567 18003.3667 0.0000 0.0000 34333.8018 -149208.3011 299.8456 -183542.1029 -149110.1330 299.1021 59.0698 94.0980 557748.8754 -18.2890 -18.1166 LDB: ============= START OF LOAD BALANCING ============== 5813.7 LDB: ============== END OF LOAD BALANCING =============== 5813.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5813.7 LDB: ============= START OF LOAD BALANCING ============== 5813.99 LDB: Largest compute 4820 load 0.023206 is 19.7% of average load 0.117925 LDB: Average compute 0.001730 is 1.5% of average load 0.117925 LDB: TIME 5813.99 LOAD: AVG 0.117925 MAX 0.179135 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 5813.99 LOAD: AVG 0.117925 MAX 0.179135 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.277 MB LDB: TIME 5813.99 LOAD: AVG 0.117925 MAX 0.179135 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5813.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5814 PRESSURE: 2004400 -83.2394 2.45575 -89.5636 2.45715 -197.959 130.424 -89.5638 130.425 30.2098 GPRESSURE: 2004400 -69.3956 -46.176 -56.4008 60.252 -175.076 29.6144 -132.882 109.595 75.348 PRESSAVG: 2004400 -48.2772 5.22348 -5.56235 5.22354 -0.315588 -13.8739 -5.56235 -13.874 20.7296 GPRESSAVG: 2004400 -47.1998 8.35898 -6.70969 4.23096 -0.534243 -14.4522 -6.17684 -14.7164 20.2587 TIMING: 2004400 CPU: 5810.9, 0.00294704/step Wall: 5810.9, 0.00294704/step, 2.45226 hours remaining, 210.136719 MB of memory in use. ENERGY: 2004400 773.6017 2083.6780 1965.6470 108.5764 -206335.8629 17813.8950 0.0000 0.0000 34403.8093 -149186.6556 300.4570 -183590.4648 -149096.9765 300.1764 -83.6629 -56.3746 558187.8462 -9.2877 -9.1585 PRESSURE: 2004600 101.516 126.142 40.5442 126.143 -177.603 -1.55559 40.5436 -1.55487 93.5787 GPRESSURE: 2004600 116.273 83.882 106.4 79.6464 -186.873 10.5561 27.3069 84.0771 186.903 PRESSAVG: 2004600 43.7079 -14.6864 48.9619 -14.6864 -2.61665 32.8517 48.9619 32.8518 -6.94925 GPRESSAVG: 2004600 43.8623 -16.9154 50.3617 -15.6774 -1.80663 31.787 48.4587 32.678 -7.80081 TIMING: 2004600 CPU: 5811.48, 0.00287877/step Wall: 5811.48, 0.00287877/step, 2.3953 hours remaining, 210.339844 MB of memory in use. ENERGY: 2004600 762.6743 2144.2084 1931.1317 112.0173 -206175.6184 17859.8640 0.0000 0.0000 34095.1207 -149270.6020 297.7612 -183365.7227 -149170.9732 299.0894 5.8308 38.7680 559244.0722 11.3807 11.4183 PRESSURE: 2004800 -146.662 -61.3374 136.694 -61.338 -194.491 8.00229 136.694 8.00252 -167.336 GPRESSURE: 2004800 -148.407 1.15074 155.98 -19.8707 -124.047 -45.8738 141.824 -14.0977 -125.171 PRESSAVG: 2004800 4.54056 5.09276 56.387 5.09267 -16.1526 14.5419 56.387 14.5419 11.2269 GPRESSAVG: 2004800 4.15061 6.80989 55.5507 6.11355 -16.9728 16.7108 58.064 14.1019 12.4491 TIMING: 2004800 CPU: 5812.06, 0.00289104/step Wall: 5812.06, 0.00289104/step, 2.40534 hours remaining, 210.339844 MB of memory in use. ENERGY: 2004800 743.4855 2063.4809 1939.4141 118.5658 -206143.2721 17727.0393 0.0000 0.0000 34289.5332 -149261.7534 299.4590 -183551.2866 -149157.6548 299.1319 -169.4966 -132.5420 558023.7581 -0.1284 -0.1244 PRESSURE: 2005000 173.617 148.518 236.649 148.518 -1.83153 26.5152 236.651 26.5142 -48.4436 GPRESSURE: 2005000 241.674 136.789 211.308 170.273 -57.3147 -14.3998 267.384 8.95061 27.2847 PRESSAVG: 2005000 -16.985 25.2613 63.6942 25.2613 68.6503 14.8407 63.6942 14.8408 -48.4398 GPRESSAVG: 2005000 -16.4117 23.8332 64.9614 24.5264 68.8504 12.8036 63.9928 15.8809 -49.5266 TIMING: 2005000 CPU: 5812.64, 0.00290238/step Wall: 5812.64, 0.00290238/step, 2.41462 hours remaining, 210.339844 MB of memory in use. ENERGY: 2005000 749.2194 2098.3834 1947.2344 108.3778 -205948.0482 17697.6470 0.0000 0.0000 34160.8360 -149186.3502 298.3351 -183347.1862 -149090.8696 299.3579 41.1138 70.5479 556884.5081 1.0752 0.9707 PRESSURE: 2005200 197.271 42.9665 174.739 42.9674 -11.8125 40.7919 174.739 40.7928 222.596 GPRESSURE: 2005200 231.594 -43.5989 217.926 106.328 79.9666 22.9347 200.669 90.3599 196.84 PRESSAVG: 2005200 -23.6817 26.037 39.3782 26.037 47.6359 26.6745 39.3783 26.6745 -15.2611 GPRESSAVG: 2005200 -24.4487 26.8657 38.038 25.4764 47.3022 26.4374 40.9445 28.3835 -13.5221 TIMING: 2005200 CPU: 5813.22, 0.0029076/step Wall: 5813.22, 0.0029076/step, 2.4188 hours remaining, 210.339844 MB of memory in use. ENERGY: 2005200 736.9268 2121.8386 1972.1888 116.3963 -206425.8699 17968.4909 0.0000 0.0000 34341.1068 -149168.9216 299.9094 -183510.0285 -149076.0250 299.4429 136.0182 169.4668 557413.9714 2.8977 3.1105 PRESSURE: 2005400 -325.45 104.16 -35.5222 104.159 -230.791 191.551 -35.523 191.551 -284.917 GPRESSURE: 2005400 -262.988 80.6628 70.4534 45.5548 -273.203 206.583 -131.952 134.463 -206.432 PRESSAVG: 2005400 5.2855 69.2743 31.6953 69.2742 -5.09666 5.89027 31.6953 5.89037 -15.1726 GPRESSAVG: 2005400 6.45619 70.0392 32.4071 69.5132 -4.45319 9.18582 30.5862 2.99553 -16.8728 TIMING: 2005400 CPU: 5813.8, 0.0028837/step Wall: 5813.8, 0.0028837/step, 2.39876 hours remaining, 210.339844 MB of memory in use. ENERGY: 2005400 735.0837 2143.1130 1990.0155 108.7307 -205547.4858 17230.1765 0.0000 0.0000 34179.0794 -149161.2869 298.4944 -183340.3664 -149064.3126 299.3990 -280.3858 -247.5413 559705.9958 -4.9946 -4.9566 PRESSURE: 2005600 -107.061 194.017 -155.252 194.016 -233.96 -43.1418 -155.25 -43.1425 -9.03946 GPRESSURE: 2005600 -18.6702 137.55 -154.049 74.494 -235.29 4.71047 -62.4033 -65.7122 1.78796 PRESSAVG: 2005600 -32.6956 30.1985 -0.647494 30.1985 27.9002 -30.5509 -0.647465 -30.5509 39.4436 GPRESSAVG: 2005600 -32.555 28.5115 -0.545487 31.9381 27.6486 -34.4347 -1.19399 -28.8965 39.9023 TIMING: 2005600 CPU: 5814.38, 0.00290127/step Wall: 5814.38, 0.00290127/step, 2.41321 hours remaining, 210.339844 MB of memory in use. ENERGY: 2005600 762.0815 2066.6699 1991.2089 103.6211 -205756.4919 17541.5278 0.0000 0.0000 34231.6675 -149059.7152 298.9537 -183291.3827 -148962.7788 300.2099 -116.6867 -84.0575 558522.3060 11.5494 11.6653 PRESSURE: 2005800 -55.8128 -164.575 106.426 -164.575 11.7012 -26.1786 106.426 -26.1769 -256.291 GPRESSURE: 2005800 -22.0715 -190.013 135.736 -97.3055 -10.1101 -6.49602 13.9811 -46.1697 -181.704 PRESSAVG: 2005800 12.665 22.1813 -32.9203 22.1812 45.0518 34.6461 -32.9202 34.646 -100.039 GPRESSAVG: 2005800 12.0215 24.4391 -33.9125 21.4667 45.307 36.0261 -33.5573 35.1749 -100.099 TIMING: 2005800 CPU: 5814.95, 0.0028887/step Wall: 5814.95, 0.0028887/step, 2.40259 hours remaining, 210.339844 MB of memory in use. ENERGY: 2005800 723.4835 2107.5295 1964.6791 121.5989 -205868.9481 17479.4271 0.0000 0.0000 34464.5440 -149007.6859 300.9874 -183472.2299 -148910.5789 299.5412 -100.1342 -71.2950 558974.0628 -14.1073 -14.2568 PRESSURE: 2006000 77.4861 -48.9467 -69.7524 -48.9476 -201.16 14.5798 -69.7519 14.5799 -54.4685 GPRESSURE: 2006000 60.6888 -154.591 -89.8735 -32.2203 -145.143 48.3531 -52.9639 73.6043 6.84867 PRESSAVG: 2006000 79.9055 14.3236 -12.6492 14.3236 -38.8877 -6.6828 -12.6491 -6.68286 -45.9328 GPRESSAVG: 2006000 80.8946 12.2351 -12.8815 12.6513 -39.4375 -6.00042 -13.4658 -8.15186 -46.1864 TIMING: 2006000 CPU: 5815.54, 0.00292296/step Wall: 5815.54, 0.00292296/step, 2.43093 hours remaining, 210.339844 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: 2006000 766.2468 2062.9189 1956.8587 108.4204 -206013.6278 17777.1788 0.0000 0.0000 34361.6539 -148980.3502 300.0889 -183342.0041 -148885.8300 300.1399 -59.3807 -25.8686 559073.2885 -1.6383 -1.5764 PRESSURE: 2006200 171.32 97.1986 -68.0752 97.1983 -277.6 -60.5982 -68.075 -60.5984 -42.1817 GPRESSURE: 2006200 161.097 69.3973 -171.775 102.696 -265.745 -95.6548 63.2614 -58.1164 53.0722 PRESSAVG: 2006200 17.2019 15.3609 -38.7368 15.3609 18.9835 -23.1256 -38.7368 -23.1257 -11.3912 GPRESSAVG: 2006200 15.276 14.802 -39.0942 17.892 19.0951 -24.7218 -37.9605 -21.0712 -9.45422 TIMING: 2006200 CPU: 5816.12, 0.00289007/step Wall: 5816.12, 0.00289007/step, 2.40342 hours remaining, 210.339844 MB of memory in use. ENERGY: 2006200 743.7686 2121.5834 1979.5650 124.3858 -205974.5932 17749.1571 0.0000 0.0000 34279.4758 -148976.6575 299.3712 -183256.1333 -148873.5451 299.5529 -49.4875 -17.1920 558555.8203 8.2647 8.3056 PRESSURE: 2006400 -214.204 -77.8601 -41.2426 -77.8584 -397.651 -37.666 -41.2429 -37.6649 -81.2325 GPRESSURE: 2006400 -232.571 33.7801 -56.6307 -122.871 -345.962 -27.2307 61.732 -151.89 -19.6511 PRESSAVG: 2006400 14.6012 21.9943 -2.32595 21.9943 -50.2891 -19.2343 -2.32591 -19.2342 29.3552 GPRESSAVG: 2006400 15.2507 23.6869 -3.22548 20.059 -49.982 -18.6579 -2.4506 -21.1105 28.7333 TIMING: 2006400 CPU: 5816.7, 0.00290042/step Wall: 5816.7, 0.00290042/step, 2.41186 hours remaining, 210.339844 MB of memory in use. ENERGY: 2006400 778.9903 2098.5720 1973.2667 133.1558 -205986.8454 17488.9642 0.0000 0.0000 34480.7695 -149033.1268 301.1291 -183513.8963 -148938.3515 300.0789 -231.0290 -199.3948 558374.4548 -2.1109 -1.9993 PRESSURE: 2006600 -188.82 26.8303 -74.3985 26.8306 299.779 -8.55851 -74.3981 -8.55901 200.429 GPRESSURE: 2006600 -125.374 -51.378 -134.374 43.9164 310.482 7.87118 -91.2168 -38.214 231.841 PRESSAVG: 2006600 16.5819 -0.529504 -5.63265 -0.529445 -29.2137 21.14 -5.63253 21.1401 37.5686 GPRESSAVG: 2006600 18.0137 -2.38272 -3.71703 2.09993 -29.2465 22.2462 -6.82306 22.1962 36.7619 TIMING: 2006600 CPU: 5817.28, 0.00292018/step Wall: 5817.28, 0.00292018/step, 2.42813 hours remaining, 210.339844 MB of memory in use. ENERGY: 2006600 744.9771 2075.8427 1928.6741 103.3689 -206061.8539 17915.2351 0.0000 0.0000 34279.2081 -149014.5480 299.3688 -183293.7560 -148920.9376 299.8019 103.7958 138.9830 558079.7187 8.3123 8.5097 PRESSURE: 2006800 163.723 93.2145 -144.371 93.2155 -339.243 199.323 -144.37 199.323 -206.141 GPRESSURE: 2006800 136.127 123.484 -215.78 83.1518 -254.842 228.532 -153.76 142.452 -153.732 PRESSAVG: 2006800 37.1612 40.7565 7.7184 40.7565 -113.653 56.3283 7.71841 56.3282 -4.51312 GPRESSAVG: 2006800 36.317 43.0835 6.43297 38.8363 -112.967 56.4772 9.63743 58.6349 -4.05432 TIMING: 2006800 CPU: 5817.86, 0.00288501/step Wall: 5817.86, 0.00288501/step, 2.39872 hours remaining, 210.339844 MB of memory in use. ENERGY: 2006800 742.9929 2072.2270 1947.1218 121.2618 -205926.8044 17658.5360 0.0000 0.0000 34469.6365 -148915.0284 301.0319 -183384.6648 -148824.5713 300.2399 -127.2202 -90.8158 559038.7672 -27.0015 -26.9013 PRESSURE: 2007000 57.1368 -103.657 20.4303 -103.656 147.767 -58.1633 20.4311 -58.1641 -37.0315 GPRESSURE: 2007000 145.366 -88.727 33.0893 -201.154 148.768 -17.0478 53.0534 -112.744 -33.8363 PRESSAVG: 2007000 6.5954 24.976 -44.8406 24.9759 -1.74308 37.5347 -44.8406 37.5347 0.799964 GPRESSAVG: 2007000 5.8926 23.6263 -44.3555 25.5156 -1.77366 37.89 -44.602 32.4346 1.61165 TIMING: 2007000 CPU: 5818.44, 0.00289443/step Wall: 5818.44, 0.00289443/step, 2.4064 hours remaining, 210.339844 MB of memory in use. ENERGY: 2007000 747.9869 2108.0918 1933.3066 126.1533 -206191.9513 17860.0662 0.0000 0.0000 34519.0547 -148897.2919 301.4635 -183416.3466 -148795.5903 300.0487 55.9576 86.7662 558005.2583 1.8841 1.9102 PRESSURE: 2007200 -73.8575 -143.482 -15.9846 -143.483 -110.042 52.9461 -15.9843 52.9459 -221.121 GPRESSURE: 2007200 8.24214 -120.651 12.5074 -59.9543 -72.5645 21.8606 -105.902 130.657 -226.628 PRESSAVG: 2007200 1.84422 -25.4985 34.7148 -25.4985 15.5824 -41.1535 34.7148 -41.1536 -19.6548 GPRESSAVG: 2007200 1.3211 -26.9061 34.2921 -26.2199 16.6095 -41.317 33.7752 -37.4779 -19.9354 TIMING: 2007200 CPU: 5819.01, 0.0028797/step Wall: 5819.01, 0.0028797/step, 2.39399 hours remaining, 210.339844 MB of memory in use. ENERGY: 2007200 727.6928 2122.2732 1948.6463 112.8882 -205453.8882 17510.8145 0.0000 0.0000 34256.7758 -148774.7975 299.1729 -183031.5732 -148683.6713 300.3483 -135.0069 -96.9833 557922.6363 -0.7427 -0.6683 PRESSURE: 2007400 232.654 176.201 -87.9839 176.202 -229.72 161.366 -87.9842 161.367 -195.593 GPRESSURE: 2007400 232.479 282.231 -54.1177 53.5519 -194.518 166.069 -82.1232 130.35 -130.476 PRESSAVG: 2007400 66.1487 -70.6615 2.3491 -70.6615 14.3871 36.3297 2.34917 36.3298 -20.1954 GPRESSAVG: 2007400 66.752 -68.3655 1.86854 -71.294 12.8067 35.4791 3.22603 34.6605 -19.5364 TIMING: 2007400 CPU: 5819.59, 0.00288211/step Wall: 5819.59, 0.00288211/step, 2.39583 hours remaining, 210.339844 MB of memory in use. ENERGY: 2007400 771.4544 2117.9961 1951.7848 119.4879 -205764.9242 17769.8386 0.0000 0.0000 34190.8945 -148843.4679 298.5976 -183034.3624 -148746.4038 300.1874 -64.2194 -30.8385 558657.3317 20.1134 20.0074 PRESSURE: 2007600 116.351 191.485 -104.686 191.486 -66.2312 -26.3598 -104.686 -26.3602 -209.49 GPRESSURE: 2007600 128.459 226.675 -164.709 96.2421 22.1239 -94.3995 -45.3987 54.3773 -206.353 PRESSAVG: 2007600 26.6501 -4.40251 61.7515 -4.40253 22.2144 16.7628 61.7516 16.7629 -21.6871 GPRESSAVG: 2007600 26.2322 -6.35962 62.6333 -2.73219 23.6298 17.3334 61.8749 17.7199 -22.5279 TIMING: 2007600 CPU: 5820.16, 0.00286945/step Wall: 5820.16, 0.00286945/step, 2.38515 hours remaining, 210.339844 MB of memory in use. ENERGY: 2007600 744.5657 2051.1498 1950.1079 124.8993 -205325.2361 17529.0566 0.0000 0.0000 34199.0774 -148726.3795 298.6690 -182925.4569 -148627.7994 300.5371 -53.1232 -18.5901 558877.5776 9.0592 9.1114 PRESSURE: 2007800 -40.1071 42.2536 -11.2554 42.2538 127.658 117.37 -11.2557 117.372 -122.862 GPRESSURE: 2007800 -34.9004 73.2118 -51.7902 47.017 153.621 149.426 -19.2418 78.5762 -60.608 PRESSAVG: 2007800 -9.98042 -73.1101 32.6716 -73.1101 73.3997 0.0236325 32.6716 0.0237742 -48.7555 GPRESSAVG: 2007800 -9.42235 -71.5201 34.6484 -73.813 72.429 0.60421 32.2614 -0.687128 -48.3565 TIMING: 2007800 CPU: 5820.74, 0.00288014/step Wall: 5820.74, 0.00288014/step, 2.39388 hours remaining, 210.339844 MB of memory in use. ENERGY: 2007800 760.6162 2109.6184 1921.0282 109.3009 -205817.5048 17802.3638 0.0000 0.0000 34193.1283 -148921.4490 298.6171 -183114.5773 -148822.7437 299.5761 -11.7704 19.3707 558364.6028 4.8879 4.8834 PRESSURE: 2008000 35.2533 3.38659 53.0687 3.38691 -45.1232 -129.672 53.0697 -129.674 -208.133 GPRESSURE: 2008000 28.0951 1.10533 102.168 49.1241 -16.8728 -88.5632 62.9898 -138.765 -129.506 PRESSAVG: 2008000 -14.8076 -7.01418 42.2305 -7.01417 33.8028 -21.9392 42.2305 -21.9393 38.2568 GPRESSAVG: 2008000 -15.9209 -5.68081 40.5018 -8.77031 34.327 -22.4948 42.7538 -23.7479 39.333 TIMING: 2008000 CPU: 5821.32, 0.00289104/step Wall: 5821.32, 0.00289104/step, 2.40278 hours remaining, 210.339844 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: 2008000 780.8610 2135.4285 1919.9764 125.7413 -206102.6047 17809.3180 0.0000 0.0000 34499.4075 -148831.8719 301.2919 -183331.2794 -148727.5912 300.1944 -72.6675 -39.4281 559768.8566 19.0840 19.2464 PRESSURE: 2008200 -11.3152 114.422 26.3521 114.421 -211.477 -63.3978 26.3514 -63.3966 -404.357 GPRESSURE: 2008200 -0.870104 196.396 -16.828 45.5539 -219.608 84.4399 -36.1957 -99.9073 -302.055 PRESSAVG: 2008200 4.37608 50.2254 67.5065 50.2254 -73.7594 9.77644 67.5065 9.77645 29.2713 GPRESSAVG: 2008200 5.01643 48.5747 66.8975 50.9372 -74.6313 9.99087 65.8901 12.0039 29.6803 TIMING: 2008200 CPU: 5821.89, 0.0028622/step Wall: 5821.89, 0.0028622/step, 2.37865 hours remaining, 210.339844 MB of memory in use. ENERGY: 2008200 734.1464 2119.2752 1943.5476 101.4333 -205746.3848 17681.1138 0.0000 0.0000 34429.6619 -148737.2068 300.6828 -183166.8687 -148642.3095 300.2413 -209.0497 -174.1776 561319.4104 -13.3707 -13.3115 LDB: ============= START OF LOAD BALANCING ============== 5825.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5825.27 LDB: =============== DONE WITH MIGRATION ================ 5825.27 LDB: ============= START OF LOAD BALANCING ============== 5825.56 LDB: Largest compute 4792 load 0.023363 is 19.8% of average load 0.117936 LDB: Average compute 0.001729 is 1.5% of average load 0.117936 LDB: TIME 5825.57 LOAD: AVG 0.117936 MAX 0.178378 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.883 MB LDB: TIME 5825.57 LOAD: AVG 0.117936 MAX 0.178378 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.141 MB LDB: TIME 5825.57 LOAD: AVG 0.117936 MAX 0.178378 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5825.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5825.57 PRESSURE: 2008400 -3.10668 28.2559 -22.2376 28.2575 -201.286 83.4887 -22.2374 83.4884 136.528 GPRESSURE: 2008400 33.7867 32.2642 -8.48895 61.871 -138.768 58.3524 -70.5874 59.5691 130.758 PRESSAVG: 2008400 -32.5561 24.4098 6.41262 24.4098 -19.0322 23.6568 6.41256 23.6569 42.2486 GPRESSAVG: 2008400 -33.5329 22.7235 5.79674 26.2169 -16.1396 24.1762 8.22799 22.9039 40.1656 TIMING: 2008400 CPU: 5822.48, 0.00293931/step Wall: 5822.48, 0.00293931/step, 2.44256 hours remaining, 210.101562 MB of memory in use. ENERGY: 2008400 727.4953 2113.1437 1964.6537 102.6296 -205799.7701 17795.2193 0.0000 0.0000 34290.6788 -148805.9497 299.4690 -183096.6284 -148715.3109 300.1929 -22.6215 8.5921 560119.9867 -3.1132 -3.1690 PRESSURE: 2008600 92.9451 -153.552 7.29366 -153.551 -198.526 -58.6721 7.29428 -58.6718 194.78 GPRESSURE: 2008600 139.919 -92.7435 0.120552 -103.281 -189.307 -47.233 40.9463 -62.9257 237.96 PRESSAVG: 2008600 0.821167 -7.17002 -15.3254 -7.16996 -52.3074 0.577553 -15.3254 0.577412 39.4063 GPRESSAVG: 2008600 0.40878 -5.25567 -11.346 -8.66415 -54.6595 0.201943 -16.2115 1.11686 41.6085 TIMING: 2008600 CPU: 5823.06, 0.0028956/step Wall: 5823.06, 0.0028956/step, 2.40609 hours remaining, 210.171875 MB of memory in use. ENERGY: 2008600 712.8558 2139.9262 1947.6421 117.9573 -206210.7341 17807.0451 0.0000 0.0000 34520.6113 -148964.6963 301.4771 -183485.3076 -148873.6574 300.2301 29.7331 62.8575 557382.6210 -4.0266 -4.2141 PRESSURE: 2008800 101.443 -51.0711 134.347 -51.0717 -97.517 85.3061 134.347 85.3048 266.211 GPRESSURE: 2008800 80.7378 -77.5916 64.6984 -12.0881 -20.1845 76.0776 117.222 19.2366 313.007 PRESSAVG: 2008800 -81.4227 -0.297842 12.9662 -0.297701 -6.28588 28.3323 12.9661 28.3323 91.2516 GPRESSAVG: 2008800 -79.4804 2.30935 9.92452 -0.74393 -6.51171 29.7918 13.3528 26.9036 89.919 TIMING: 2008800 CPU: 5823.63, 0.00287569/step Wall: 5823.63, 0.00287569/step, 2.38938 hours remaining, 210.171875 MB of memory in use. ENERGY: 2008800 737.0842 2122.9850 1954.8579 112.5012 -206121.3777 17854.4841 0.0000 0.0000 34320.2264 -149019.2389 299.7271 -183339.4653 -148919.1202 300.0522 90.0457 124.5202 557414.9421 1.1810 1.3090 PRESSURE: 2009000 -291.26 66.7897 12.478 66.7905 -50.2358 162.027 12.4779 162.028 -282.27 GPRESSURE: 2009000 -238.149 97.8527 20.3977 24.6616 -31.0067 121.168 -26.7744 183.69 -250.468 PRESSAVG: 2009000 -58.3063 -10.6051 39.7741 -10.6051 -8.07125 46.7711 39.7741 46.7711 53.4847 GPRESSAVG: 2009000 -59.4846 -11.6429 40.7458 -10.5739 -7.37706 45.5845 39.1666 46.6608 53.3842 TIMING: 2009000 CPU: 5824.21, 0.00287302/step Wall: 5824.21, 0.00287302/step, 2.387 hours remaining, 210.171875 MB of memory in use. ENERGY: 2009000 739.9550 2104.4577 1936.9913 115.7684 -205808.2062 17433.5426 0.0000 0.0000 34353.2249 -149124.2662 300.0153 -183477.4911 -149025.6479 299.3156 -207.9219 -173.2078 558036.7909 -4.2976 -4.4925 PRESSURE: 2009200 -273.197 -24.5748 131.052 -24.5738 221.52 -81.8886 131.051 -81.8891 -13.0259 GPRESSURE: 2009200 -255.644 -24.1454 127.696 75.5157 290.25 -56.0153 123.644 -34.5676 6.71733 PRESSAVG: 2009200 -38.0464 -3.76581 53.7015 -3.76581 9.28288 38.0135 53.7016 38.0135 88.2388 GPRESSAVG: 2009200 -37.2786 -5.22423 52.0634 -3.09703 9.81389 39.5986 56.6068 38.6157 87.5176 TIMING: 2009200 CPU: 5824.78, 0.00286794/step Wall: 5824.78, 0.00286794/step, 2.38262 hours remaining, 210.171875 MB of memory in use. ENERGY: 2009200 767.6361 2091.0353 1940.1272 100.5048 -206262.9474 17752.7439 0.0000 0.0000 34421.3219 -149189.5783 300.6100 -183610.9001 -149089.8166 299.6010 -21.5675 13.7743 556144.3802 19.8251 20.0176 PRESSURE: 2009400 -280.527 58.4599 95.1155 58.4582 -158.632 -69.6861 95.1161 -69.6855 -114.237 GPRESSURE: 2009400 -196.035 65.4049 76.701 78.7226 -171.385 25.4284 79.1868 -65.4046 -73.9823 PRESSAVG: 2009400 5.52268 32.9565 66.9382 32.9565 -3.37778 -22.3928 66.9382 -22.3928 31.3793 GPRESSAVG: 2009400 4.01607 31.3314 68.5508 34.6475 -4.36851 -24.2258 65.2858 -21.6999 33.0393 TIMING: 2009400 CPU: 5825.35, 0.00286995/step Wall: 5825.35, 0.00286995/step, 2.38413 hours remaining, 210.171875 MB of memory in use. ENERGY: 2009400 767.6613 2110.0704 1972.2270 110.2028 -205818.8437 17597.8269 0.0000 0.0000 33983.2862 -149277.5691 296.7845 -183260.8554 -149180.8705 299.7097 -184.4656 -147.1338 558468.8810 11.1747 10.8956 PRESSURE: 2009600 356.155 -63.7385 -88.5404 -63.7381 -99.5914 59.4896 -88.5406 59.489 82.9276 GPRESSURE: 2009600 357.654 -171.357 -130.485 30.062 -78.4425 93.4295 40.1081 40.0803 142.448 PRESSAVG: 2009600 14.2041 -22.7946 0.798787 -22.7946 35.8989 -37.2209 0.798751 -37.221 -26.5773 GPRESSAVG: 2009600 15.8064 -21.4102 2.02566 -24.6861 35.6873 -36.1959 -1.28335 -37.4222 -27.778 TIMING: 2009600 CPU: 5825.93, 0.00290551/step Wall: 5825.93, 0.00290551/step, 2.41351 hours remaining, 210.171875 MB of memory in use. ENERGY: 2009600 759.7535 2127.9027 1947.7586 118.6845 -206576.4272 18168.8744 0.0000 0.0000 34159.0552 -149294.3983 298.3195 -183453.4535 -149201.6415 298.5849 113.1638 140.5530 555872.0122 7.8419 7.9052 PRESSURE: 2009800 -111.583 -128.251 11.0333 -128.251 89.9946 -76.4259 11.0328 -76.426 219.907 GPRESSURE: 2009800 -43.2487 -141.43 4.68615 -24.7523 83.3356 -175.71 -19.3616 -57.2011 266.236 PRESSAVG: 2009800 -1.35683 -21.2558 -10.4924 -21.2559 -57.0021 -47.9116 -10.4924 -47.9116 39.4267 GPRESSAVG: 2009800 -2.36533 -22.5286 -11.5835 -20.3345 -56.6244 -47.6934 -9.22862 -47.6251 40.3932 TIMING: 2009800 CPU: 5826.51, 0.00289089/step Wall: 5826.51, 0.00289089/step, 2.40121 hours remaining, 210.171875 MB of memory in use. ENERGY: 2009800 712.4057 2067.8669 1963.8770 111.9182 -206018.5054 17840.9460 0.0000 0.0000 33963.7942 -149357.6973 296.6143 -183321.4915 -149261.7697 298.5518 66.1060 102.1076 558062.0755 -6.3107 -6.1988 PRESSURE: 2010000 -81.1089 -17.9303 6.36277 -17.9295 220.85 -10.6833 6.36263 -10.6828 -168.807 GPRESSURE: 2010000 -10.6974 34.0839 130.753 6.80946 190.668 35.6002 -33.7198 -72.6585 -123.679 PRESSAVG: 2010000 -49.1518 -33.9747 -50.0758 -33.9747 81.5141 -22.6408 -50.0759 -22.6408 -24.5819 GPRESSAVG: 2010000 -48.5505 -32.1965 -48.3346 -33.0295 82.5221 -23.195 -50.5307 -22.6475 -26.559 TIMING: 2010000 CPU: 5827.09, 0.00289354/step Wall: 5827.09, 0.00289354/step, 2.40324 hours remaining, 210.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2010000 754.6144 2032.7527 1959.1504 116.5862 -206342.6654 17875.0345 0.0000 0.0000 34316.8920 -149287.6352 299.6980 -183604.5272 -149188.4138 298.5480 -9.6886 18.7639 558383.2056 2.5935 2.4709 PRESSURE: 2010200 -205.691 -50.6398 -224.389 -50.6397 -36.8997 -68.3703 -224.389 -68.3707 -124.908 GPRESSURE: 2010200 -156.254 -47.6928 -123.61 -5.65158 41.9163 -69.0948 -178.693 -41.5249 -167.638 PRESSAVG: 2010200 18.2406 3.54162 -12.5359 3.54146 41.1165 10.1179 -12.5359 10.1179 18.6745 GPRESSAVG: 2010200 19.0271 1.65744 -13.6466 2.14704 40.3649 8.66213 -11.8013 10.5328 17.9854 TIMING: 2010200 CPU: 5827.67, 0.0028797/step Wall: 5827.67, 0.0028797/step, 2.39159 hours remaining, 210.171875 MB of memory in use. ENERGY: 2010200 785.6781 2081.8279 1949.5134 98.4336 -206166.5309 17753.8916 0.0000 0.0000 34090.5507 -149406.6356 297.7213 -183497.1863 -149311.8393 298.5171 -122.4993 -93.9918 556994.1132 26.0105 25.7925 PRESSURE: 2010400 -224.016 -43.671 35.9566 -43.6702 18.9035 141.941 35.9581 141.94 17.5458 GPRESSURE: 2010400 -152.03 -4.85602 47.4944 -65.9769 6.65512 136.829 30.2295 141.148 51.759 PRESSAVG: 2010400 -59.3737 -23.3178 -5.13821 -23.3178 5.99549 -5.04619 -5.13819 -5.04623 -5.74035 GPRESSAVG: 2010400 -59.2105 -24.8544 -6.78591 -19.334 5.51353 -3.72495 -3.75217 -5.26142 -4.7646 TIMING: 2010400 CPU: 5828.24, 0.00287191/step Wall: 5828.24, 0.00287191/step, 2.38496 hours remaining, 210.171875 MB of memory in use. ENERGY: 2010400 741.9597 2109.4990 1961.8917 112.8218 -206151.4613 17697.5304 0.0000 0.0000 34166.1013 -149361.6574 298.3811 -183527.7587 -149274.8187 298.6386 -62.5222 -31.2052 558875.4415 -19.7062 -19.4872 PRESSURE: 2010600 94.0254 121.237 12.3441 121.237 -139.266 -4.2685 12.3459 -4.26926 -61.3687 GPRESSURE: 2010600 108.56 115.398 49.52 133.196 -89.4448 -79.5904 130.996 -11.6177 -26.0311 PRESSAVG: 2010600 -0.68591 -11.4735 15.1084 -11.4736 -1.14338 37.3856 15.1084 37.3857 18.9509 GPRESSAVG: 2010600 -0.961388 -9.16044 16.794 -14.9587 -0.650711 38.5192 16.4212 35.3546 18.4144 TIMING: 2010600 CPU: 5828.82, 0.00287218/step Wall: 5828.82, 0.00287218/step, 2.38502 hours remaining, 210.171875 MB of memory in use. ENERGY: 2010600 761.1534 2075.7965 1951.1699 103.7882 -206193.1999 17751.4685 0.0000 0.0000 34157.4415 -149392.3820 298.3054 -183549.8235 -149294.8388 298.8134 -35.5364 -2.3055 557374.8263 5.7072 5.6008 PRESSURE: 2010800 -1.89791 -137.263 45.3637 -137.262 -30.3184 3.91218 45.3637 3.91209 148.795 GPRESSURE: 2010800 74.5804 -107.616 44.627 -167.32 -4.08051 -10.0241 65.0506 63.2245 158.376 PRESSAVG: 2010800 23.7047 29.2255 -12.7731 29.2254 4.14438 -10.5481 -12.7732 -10.5481 -66.603 GPRESSAVG: 2010800 23.2073 26.2431 -15.3685 32.7773 3.93376 -11.3545 -14.5941 -11.1486 -66.0201 TIMING: 2010800 CPU: 5829.39, 0.00287983/step Wall: 5829.39, 0.00287983/step, 2.39122 hours remaining, 210.171875 MB of memory in use. ENERGY: 2010800 713.9451 2112.3052 1978.9966 130.9749 -206351.3483 17979.9515 0.0000 0.0000 33927.9578 -149507.2173 296.3013 -183435.1751 -149413.3519 298.0647 38.8596 76.2920 557366.6879 -12.9180 -12.9597 PRESSURE: 2011000 114.521 8.08671 94.5788 8.08787 188.3 -68.74 94.5792 -68.7408 40.5367 GPRESSURE: 2011000 103.237 54.0361 82.1752 34.8482 255.282 -26.7386 143.597 -73.1656 83.7748 PRESSAVG: 2011000 -6.63004 8.32433 -6.30569 8.3243 57.7821 -3.42302 -6.30561 -3.42295 -29.5272 GPRESSAVG: 2011000 -5.39547 9.19924 -4.49837 5.07342 57.8032 -3.25284 -7.20805 -1.79683 -31.3961 TIMING: 2011000 CPU: 5829.97, 0.00288969/step Wall: 5829.97, 0.00288969/step, 2.39924 hours remaining, 210.171875 MB of memory in use. ENERGY: 2011000 755.9393 2054.4687 1969.0308 113.1151 -206421.9138 17919.8478 0.0000 0.0000 34108.0896 -149501.4225 297.8744 -183609.5121 -149411.1702 298.4908 114.4523 147.4314 555430.2395 7.2083 7.0039 PRESSURE: 2011200 -322.068 257.24 42.1322 257.241 -57.0428 -14.6009 42.1316 -14.5999 -405.355 GPRESSURE: 2011200 -292.547 259.445 12.7595 167.602 34.7846 1.03919 49.3229 17.0146 -446.454 PRESSAVG: 2011200 -55.0001 10.9551 -25.6861 10.9552 79.361 -1.74061 -25.6862 -1.7406 15.4428 GPRESSAVG: 2011200 -56.2592 10.9497 -24.4055 12.3653 80.1954 -2.66959 -26.5331 1.18538 16.1561 TIMING: 2011200 CPU: 5830.55, 0.00289204/step Wall: 5830.55, 0.00289204/step, 2.40104 hours remaining, 210.171875 MB of memory in use. ENERGY: 2011200 763.7970 2099.3015 1962.6919 114.5607 -206157.1158 17473.9899 0.0000 0.0000 34260.1167 -149482.6581 299.2021 -183742.7747 -149386.0812 298.5481 -261.4886 -234.7386 556704.0430 13.2679 13.3641 PRESSURE: 2011400 168.692 -20.211 5.29078 -20.2101 115.542 -29.6789 5.2916 -29.6799 167.499 GPRESSURE: 2011400 194.479 27.7195 -103.916 -60.8408 132.672 -12.9479 121.888 -60.8201 217.246 PRESSAVG: 2011400 -54.3483 7.11664 16.4848 7.11662 63.7587 42.4186 16.4847 42.4185 3.92772 GPRESSAVG: 2011400 -54.5919 9.00237 15.2983 6.82435 63.659 47.2041 16.7666 38.2991 4.8641 TIMING: 2011400 CPU: 5831.12, 0.00287644/step Wall: 5831.12, 0.00287645/step, 2.38793 hours remaining, 210.171875 MB of memory in use. ENERGY: 2011400 727.4644 2071.7149 1939.8822 112.8557 -206892.3842 18157.1984 0.0000 0.0000 34389.9422 -149493.3264 300.3359 -183883.2686 -149395.8277 298.5947 150.5778 181.4658 555163.1060 4.4460 4.6437 PRESSURE: 2011600 -16.471 -107.896 -148.595 -107.896 -185.809 91.2962 -148.595 91.2977 -128.195 GPRESSURE: 2011600 -2.36686 -38.045 -105.928 -207.484 -131.768 90.0366 -173.175 83.827 -107.692 PRESSAVG: 2011600 7.28233 1.88565 -68.2191 1.88581 15.6297 48.6593 -68.2192 48.6594 -8.98559 GPRESSAVG: 2011600 7.61871 3.24046 -66.3792 0.470698 14.3726 44.0452 -68.4558 49.601 -8.43804 TIMING: 2011600 CPU: 5831.7, 0.00289579/step Wall: 5831.7, 0.00289579/step, 2.40383 hours remaining, 210.171875 MB of memory in use. ENERGY: 2011600 747.9317 2121.6089 1950.4989 112.9151 -206012.4583 17505.4468 0.0000 0.0000 34430.6247 -149143.4323 300.6912 -183574.0570 -149049.6676 299.5335 -110.1584 -80.6090 556497.3382 4.6421 4.5177 PRESSURE: 2011800 258.244 6.74843 -54.9775 6.74994 109.813 220.973 -54.9771 220.972 250.757 GPRESSURE: 2011800 231.268 21.7419 -158.971 27.9313 150.316 172.476 -24.9869 183.489 329.485 PRESSAVG: 2011800 -6.65522 0.551778 -60.7378 0.551778 11.0116 9.11599 -60.7379 9.11594 16.3791 GPRESSAVG: 2011800 -6.94928 -1.65397 -61.7446 2.25405 11.504 9.09361 -60.5561 9.38424 16.3613 TIMING: 2011800 CPU: 5832.28, 0.00287318/step Wall: 5832.28, 0.00287318/step, 2.3849 hours remaining, 210.171875 MB of memory in use. ENERGY: 2011800 742.9793 2059.7391 1946.8319 118.0796 -206635.1840 18227.7145 0.0000 0.0000 34366.9920 -149172.8476 300.1355 -183539.8396 -149073.3062 299.1972 206.2714 237.0230 557530.3815 6.9118 6.9720 PRESSURE: 2012000 -33.5261 212.362 -213.004 212.362 -43.9301 -170.542 -213.004 -170.54 -37.3072 GPRESSURE: 2012000 19.4162 233.4 -177.905 253.52 -0.429281 -144.482 -258.058 -168.309 -44.251 PRESSAVG: 2012000 -48.0669 -38.6658 4.84532 -38.6658 -0.934553 60.7148 4.84544 60.7149 28.8156 GPRESSAVG: 2012000 -47.0687 -37.1309 3.27732 -39.4869 -0.486706 62.1952 6.96385 60.2215 28.0105 TIMING: 2012000 CPU: 5832.85, 0.0028609/step Wall: 5832.85, 0.0028609/step, 2.37455 hours remaining, 210.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2012000 780.4951 2099.4856 1955.8406 116.6589 -206329.0184 17826.4591 0.0000 0.0000 34411.6269 -149138.4522 300.5253 -183550.0791 -149041.1167 300.0502 -38.2544 -8.4214 558278.0698 -6.7286 -6.5150 PRESSURE: 2012200 88.0458 -50.5605 -80.0215 -50.5602 202.552 221.365 -80.0204 221.364 -144.449 GPRESSURE: 2012200 98.6544 -91.7312 -93.4775 46.477 247.842 245.285 -69.5654 137.353 -111.025 PRESSAVG: 2012200 13.8613 36.8624 6.33511 36.8624 4.56936 -41.7754 6.33501 -41.7754 3.41023 GPRESSAVG: 2012200 13.6821 35.0445 9.30413 37.5496 4.38903 -44.244 3.6688 -38.8234 4.12077 TIMING: 2012200 CPU: 5833.43, 0.00288423/step Wall: 5833.43, 0.00288423/step, 2.39375 hours remaining, 210.171875 MB of memory in use. ENERGY: 2012200 716.6475 2213.5623 1928.9369 122.3203 -205661.3223 17634.7704 0.0000 0.0000 34194.8990 -148850.1859 298.6326 -183045.0849 -148760.0709 300.0246 48.7161 78.4906 557701.4584 7.2803 7.3973 LDB: ============= START OF LOAD BALANCING ============== 5836.81 LDB: ============== END OF LOAD BALANCING =============== 5836.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5836.81 LDB: ============= START OF LOAD BALANCING ============== 5837.1 LDB: Largest compute 4792 load 0.024210 is 20.5% of average load 0.117929 LDB: Average compute 0.001745 is 1.5% of average load 0.117929 LDB: TIME 5837.1 LOAD: AVG 0.117929 MAX 0.177957 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.484 MB LDB: TIME 5837.1 LOAD: AVG 0.117929 MAX 0.177957 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.688 MB LDB: TIME 5837.1 LOAD: AVG 0.117929 MAX 0.177957 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5837.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5837.11 PRESSURE: 2012400 60.6701 226.153 -179.248 226.153 319.402 -102.748 -179.25 -102.746 -200.132 GPRESSURE: 2012400 76.1562 229.118 -92.9869 139.253 361.713 -89.0292 -208.79 -103.834 -151.18 PRESSAVG: 2012400 25.9412 39.5267 -10.9094 39.5265 29.0787 -30.9714 -10.9095 -30.9713 -91.4285 GPRESSAVG: 2012400 26.1223 40.4131 -11.04 39.7012 29.293 -30.262 -9.82557 -33.1969 -91.5984 TIMING: 2012400 CPU: 5834.01, 0.00293448/step Wall: 5834.01, 0.00293448/step, 2.43529 hours remaining, 208.640625 MB of memory in use. ENERGY: 2012400 718.0321 2169.5228 1924.7500 95.0136 -205982.9002 17853.9012 0.0000 0.0000 34361.6977 -148859.9829 300.0893 -183221.6806 -148772.0479 300.1414 59.9802 95.5630 557514.3373 -12.1362 -12.0611 PRESSURE: 2012600 -76.7112 -53.7189 -61.3412 -53.7189 219.986 -80.8574 -61.3408 -80.8569 -233.009 GPRESSURE: 2012600 -56.8472 -78.6005 -52.6573 34.2861 276.916 -60.6392 -41.4054 -91.7892 -188.114 PRESSAVG: 2012600 36.799 5.01959 -29.5174 5.01952 16.4162 21.9792 -29.5174 21.9791 -43.4859 GPRESSAVG: 2012600 36.2927 5.37833 -31.6925 6.08102 17.3079 22.0026 -28.4571 23.3747 -43.8457 TIMING: 2012600 CPU: 5834.59, 0.00286584/step Wall: 5834.59, 0.00286584/step, 2.37817 hours remaining, 208.640625 MB of memory in use. ENERGY: 2012600 770.2125 2058.0784 1933.6901 109.3948 -205892.6324 17827.8778 0.0000 0.0000 34296.4003 -148896.9785 299.5190 -183193.3788 -148800.4177 300.1968 -29.9115 10.6515 557811.8375 3.2431 3.2516 PRESSURE: 2012800 -41.0709 -22.1661 -41.8925 -22.1668 -222.198 131.63 -41.8929 131.63 -23.3385 GPRESSURE: 2012800 -6.78203 -60.0815 -4.1008 20.9031 -160.359 89.4088 -135.99 115.207 -13.1464 PRESSAVG: 2012800 69.0056 -14.5981 -30.4212 -14.598 43.2606 -20.411 -30.4212 -20.411 -84.7602 GPRESSAVG: 2012800 69.9394 -13.8775 -30.0845 -16.7313 41.8368 -19.2564 -30.2555 -23.5289 -84.4708 TIMING: 2012800 CPU: 5835.16, 0.00288514/step Wall: 5835.16, 0.00288514/step, 2.39402 hours remaining, 208.640625 MB of memory in use. ENERGY: 2012800 769.6457 2075.4220 1932.9980 99.0659 -205593.5829 17661.3466 0.0000 0.0000 34097.3582 -148957.7464 297.7807 -183055.1046 -148856.9373 299.7251 -95.5359 -60.0959 558467.2705 9.1687 9.1018 PRESSURE: 2013000 -13.8609 54.7179 -152.328 54.7175 193.289 20.2004 -152.327 20.2016 95.7715 GPRESSURE: 2013000 19.2781 98.6274 -170.692 -22.9272 258.583 33.4301 -101.041 66.3543 97.3305 PRESSAVG: 2013000 -15.1985 21.9024 -22.1381 21.9025 47.9595 26.0439 -22.138 26.044 -4.71638 GPRESSAVG: 2013000 -16.6446 22.697 -21.9243 22.6513 48.6085 23.8698 -23.0112 28.7211 -4.32942 TIMING: 2013000 CPU: 5835.74, 0.00287828/step Wall: 5835.74, 0.00287828/step, 2.38818 hours remaining, 208.640625 MB of memory in use. ENERGY: 2013000 738.3241 2139.5564 1963.0752 111.8606 -206183.3832 17965.6759 0.0000 0.0000 34287.4902 -148977.4008 299.4412 -183264.8910 -148887.6207 300.1071 91.7331 125.0640 557125.6987 9.3482 9.2115 PRESSURE: 2013200 100.441 0.44639 -141.956 0.446864 -271.107 88.752 -141.956 88.7514 -135.06 GPRESSURE: 2013200 145.008 117.939 -150.672 -140.926 -232.189 129.279 -65.3375 51.6684 -113.085 PRESSAVG: 2013200 -0.362711 -44.7278 -70.601 -44.7279 17.0482 34.5092 -70.6009 34.5091 -45.7407 GPRESSAVG: 2013200 0.164848 -44.7549 -69.771 -45.5115 16.8011 34.552 -71.0612 34.2065 -45.4638 TIMING: 2013200 CPU: 5836.31, 0.00286888/step Wall: 5836.31, 0.00286888/step, 2.38021 hours remaining, 208.640625 MB of memory in use. ENERGY: 2013200 780.4666 2073.7221 1935.1520 115.1174 -205897.4673 17627.5087 0.0000 0.0000 34456.1438 -148909.3567 300.9141 -183365.5005 -148804.3014 300.4857 -101.9086 -66.7551 557820.5272 -9.6851 -9.4993 PRESSURE: 2013400 351.021 -57.4277 -98.5541 -57.427 -145.771 -183.035 -98.5539 -183.037 -72.9589 GPRESSURE: 2013400 339.781 -43.5141 -103.342 -13.3088 -97.9955 -38.4198 -58.1925 -217.649 -7.86621 PRESSAVG: 2013400 46.2135 -20.2275 -18.406 -20.2275 -8.00123 -32.5194 -18.4061 -32.5195 -29.2271 GPRESSAVG: 2013400 46.689 -20.701 -19.9904 -19.3466 -8.23455 -31.3676 -15.9251 -32.1357 -29.3256 TIMING: 2013400 CPU: 5836.89, 0.00288592/step Wall: 5836.89, 0.00288592/step, 2.39419 hours remaining, 208.640625 MB of memory in use. ENERGY: 2013400 770.3401 2077.5653 1944.1567 126.8564 -205787.4774 17726.3232 0.0000 0.0000 34228.9229 -148913.3128 298.9297 -183142.2357 -148811.4611 300.0622 44.0972 77.9732 557667.7144 2.9951 3.0429 PRESSURE: 2013600 -193.577 -4.42798 -66.2519 -4.42959 -226.354 -222.304 -66.2509 -222.304 -56.5172 GPRESSURE: 2013600 -161.862 96.0819 -13.1863 -16.358 -198.162 -139.102 -71.746 -163.865 -15.8348 PRESSAVG: 2013600 16.6189 31.462 4.99351 31.462 27.7579 26.2694 4.99353 26.2693 -52.6005 GPRESSAVG: 2013600 17.2813 29.8855 4.08215 31.2658 27.1274 24.5781 4.83391 27.1522 -52.3353 TIMING: 2013600 CPU: 5837.47, 0.00288956/step Wall: 5837.47, 0.00288956/step, 2.39705 hours remaining, 208.640625 MB of memory in use. ENERGY: 2013600 781.7653 2075.4736 1937.5218 123.6046 -205919.7646 17444.2531 0.0000 0.0000 34503.5163 -149053.6299 301.3278 -183557.1462 -148951.4687 300.1243 -158.8160 -125.2864 556379.4787 -2.7412 -2.6422 PRESSURE: 2013800 -73.6369 -23.3802 -91.4584 -23.3807 64.0569 111.983 -91.4575 111.982 -295.742 GPRESSURE: 2013800 -100.887 -41.1165 -115.423 -62.1682 134.841 102.159 -39.6689 22.5412 -240.545 PRESSAVG: 2013800 5.62014 -21.7048 -43.7779 -21.7049 -22.5014 -61.207 -43.7779 -61.2069 6.97927 GPRESSAVG: 2013800 4.96848 -21.0994 -41.8045 -21.0616 -21.3381 -59.7334 -45.0936 -61.5466 6.14854 TIMING: 2013800 CPU: 5838.05, 0.00289096/step Wall: 5838.05, 0.00289096/step, 2.39805 hours remaining, 208.640625 MB of memory in use. ENERGY: 2013800 817.7632 2040.0857 1953.9206 116.6904 -206058.2728 17783.3479 0.0000 0.0000 34280.0092 -149066.4558 299.3758 -183346.4650 -148968.0916 299.0661 -101.7741 -68.8639 557933.6675 -3.3007 -3.4070 PRESSURE: 2014000 -323.086 -78.7426 -87.9574 -78.742 177.083 8.20968 -87.9575 8.20872 -243.754 GPRESSURE: 2014000 -293.601 -74.1857 -65.0172 -87.2785 147.608 -46.8917 -122.973 -20.3202 -149.806 PRESSAVG: 2014000 -49.7277 -25.4515 -12.9316 -25.4514 64.9626 8.60984 -12.9316 8.60982 -83.2718 GPRESSAVG: 2014000 -49.3588 -26.737 -13.0518 -24.3724 62.7413 9.5083 -14.2065 8.03062 -81.7198 TIMING: 2014000 CPU: 5838.62, 0.00288471/step Wall: 5838.62, 0.00288471/step, 2.3927 hours remaining, 208.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2014000 764.2771 2142.5080 1928.0590 103.9346 -206072.8945 17727.6477 0.0000 0.0000 34433.8783 -148972.5899 300.7196 -183406.4683 -148875.5276 299.8254 -129.9192 -98.5997 558091.1871 -22.6790 -22.7791 PRESSURE: 2014200 -27.3176 87.3787 -8.63639 87.3793 13.3696 -36.8773 -8.63705 -36.8781 -141.84 GPRESSURE: 2014200 6.37727 41.3476 -58.7169 89.5903 79.6397 -1.74611 -11.369 -120.971 -142.275 PRESSAVG: 2014200 -68.9703 8.94604 1.87414 8.94607 52.8439 10.0147 1.87422 10.0148 46.7822 GPRESSAVG: 2014200 -70.4377 11.318 2.82851 8.14344 54.0983 10.5837 3.29774 8.96157 47.0433 TIMING: 2014200 CPU: 5839.2, 0.0028945/step Wall: 5839.2, 0.0028945/step, 2.40067 hours remaining, 208.640625 MB of memory in use. ENERGY: 2014200 752.1189 2075.0685 1936.4182 140.5086 -206104.8530 17729.1787 0.0000 0.0000 34285.9670 -149185.5930 299.4279 -183471.5600 -149100.4271 299.7144 -51.9295 -18.7526 556979.2079 10.2186 10.2346 PRESSURE: 2014400 -54.8606 -130.186 82.2298 -130.186 146.942 -169.583 82.2289 -169.584 383.502 GPRESSURE: 2014400 -61.8016 -46.6874 110.485 -67.7028 196.214 -170.528 11.49 -156.523 424.04 PRESSAVG: 2014400 -21.2279 29.2112 -30.6944 29.2113 27.9092 -12.4564 -30.6944 -12.4565 16.0929 GPRESSAVG: 2014400 -20.0884 28.9171 -32.6816 27.9599 27.4387 -12.9277 -31.3785 -12.2734 14.8036 TIMING: 2014400 CPU: 5839.78, 0.0028996/step Wall: 5839.78, 0.0028996/step, 2.40474 hours remaining, 208.640625 MB of memory in use. ENERGY: 2014400 738.6784 2071.4322 1952.8032 110.6932 -206376.9881 18014.3045 0.0000 0.0000 34300.6680 -149188.4086 299.5563 -183489.0766 -149097.1580 299.4762 158.5278 186.1509 557480.1014 7.5914 7.3846 PRESSURE: 2014600 -21.9043 -14.0364 -211.533 -14.0352 -396.02 -8.92825 -211.533 -8.92859 -178.292 GPRESSURE: 2014600 43.3024 -9.09797 -89.4485 14.6002 -407.75 -146.364 -246.579 31.4131 -138.436 PRESSAVG: 2014600 42.094 -2.32677 2.49808 -2.32674 -116.154 -47.3045 2.498 -47.3046 80.5132 GPRESSAVG: 2014600 41.9413 -2.95432 5.31348 -1.31369 -115.538 -48.9923 2.64829 -47.3476 80.6277 TIMING: 2014600 CPU: 5840.36, 0.00291126/step Wall: 5840.36, 0.00291126/step, 2.41424 hours remaining, 208.640625 MB of memory in use. ENERGY: 2014600 750.5072 2072.0583 1954.2302 112.1459 -205764.2373 17552.9972 0.0000 0.0000 34034.0890 -149288.2094 297.2282 -183322.2985 -149191.0499 299.1062 -198.7388 -167.6279 559435.9018 2.1509 2.3435 PRESSURE: 2014800 -237.52 -57.9486 -64.2927 -57.9485 -77.7297 -1.74827 -64.2917 -1.74861 38.6158 GPRESSURE: 2014800 -188.541 -49.1728 -60.4061 -18.0592 -16.4895 1.21902 -81.7244 5.97903 36.8927 PRESSAVG: 2014800 -24.9677 -2.66176 -19.5445 -2.6617 -44.768 1.50454 -19.5443 1.50448 67.1994 GPRESSAVG: 2014800 -25.5803 -4.69174 -21.6509 -1.0414 -43.3608 2.5366 -19.9364 1.64425 67.1485 TIMING: 2014800 CPU: 5840.94, 0.00290217/step Wall: 5840.94, 0.00290217/step, 2.40654 hours remaining, 208.640625 MB of memory in use. ENERGY: 2014800 791.3271 2021.7722 1957.9886 111.1410 -206185.6410 17843.8938 0.0000 0.0000 34161.0796 -149298.4387 298.3372 -183459.5183 -149217.6820 299.3684 -92.2113 -56.0458 557867.1169 -0.8454 -0.5975 PRESSURE: 2015000 -97.9528 171.03 53.038 171.029 -1.45414 -57.7434 53.0369 -57.7433 -238.471 GPRESSURE: 2015000 -85.0867 111.869 94.9815 173.647 -33.9547 -121.019 6.89568 -81.0897 -111.173 PRESSAVG: 2015000 -22.0907 3.93786 2.51991 3.93779 -7.18776 -16.697 2.51991 -16.6969 50.6543 GPRESSAVG: 2015000 -23.043 6.02194 4.63793 2.43917 -7.39969 -18.5965 1.30528 -16.9897 51.7168 TIMING: 2015000 CPU: 5841.52, 0.00286945/step Wall: 5841.52, 0.00286945/step, 2.37925 hours remaining, 208.640625 MB of memory in use. ENERGY: 2015000 760.0716 2007.9228 1959.7162 124.4464 -206208.4779 17736.4645 0.0000 0.0000 34454.4647 -149165.3917 300.8994 -183619.8564 -149061.5795 299.3066 -112.6261 -76.7382 559451.3038 7.1253 7.0914 PRESSURE: 2015200 -17.1777 53.9667 1.49886 53.9664 -154.716 48.3572 1.49852 48.3566 -114.172 GPRESSURE: 2015200 73.5366 18.9702 22.2732 56.414 -165.547 63.909 -25.1943 42.1886 -91.3944 PRESSAVG: 2015200 -11.5198 21.8209 -5.45641 21.821 -49.4395 -29.0328 -5.45645 -29.0328 34.4141 GPRESSAVG: 2015200 -9.69241 22.9913 -6.50235 21.2914 -50.1975 -27.2745 -4.6529 -28.501 33.1709 TIMING: 2015200 CPU: 5842.09, 0.00287836/step Wall: 5842.09, 0.00287836/step, 2.38648 hours remaining, 208.640625 MB of memory in use. ENERGY: 2015200 737.9986 2066.3223 1951.4168 126.4235 -206219.1124 17669.5450 0.0000 0.0000 34449.0652 -149218.3412 300.8523 -183667.4063 -149126.6268 299.5621 -95.3552 -61.1348 557895.6928 -8.8484 -8.9063 PRESSURE: 2015400 -182.615 -1.22914 126.534 -1.22998 268.104 -23.6716 126.533 -23.6711 85.3356 GPRESSURE: 2015400 -122.602 3.88069 -0.249578 -11.8638 319.407 -49.8455 264.575 -28.768 79.015 PRESSAVG: 2015400 -30.0753 -1.46628 8.99194 -1.4663 -3.17869 39.0857 8.99197 39.0856 24.3429 GPRESSAVG: 2015400 -30.7763 -1.41741 8.40823 -0.393095 -2.69295 38.2705 8.98429 40.5878 24.9256 TIMING: 2015400 CPU: 5842.68, 0.00291581/step Wall: 5842.68, 0.00291581/step, 2.41737 hours remaining, 208.640625 MB of memory in use. ENERGY: 2015400 734.7828 2077.3462 1968.0805 113.9765 -206317.9654 17754.9145 0.0000 0.0000 34475.9488 -149192.9160 301.0870 -183668.8649 -149094.0596 299.4171 56.9414 91.9402 556531.8986 -2.9703 -2.8479 PRESSURE: 2015600 -6.73923 -129.89 181.314 -129.891 94.2996 -24.9561 181.315 -24.9548 -367.451 GPRESSURE: 2015600 -19.7781 -115.297 103.613 -135.45 124.926 12.8029 236.421 -24.8665 -270.07 PRESSAVG: 2015600 -13.5424 -31.9068 -4.79874 -31.9068 42.5867 8.79214 -4.7987 8.79216 -16.6445 GPRESSAVG: 2015600 -13.4459 -32.3307 -4.43829 -33.1671 42.2292 9.03439 -5.1875 7.96196 -16.5072 TIMING: 2015600 CPU: 5843.26, 0.00289049/step Wall: 5843.26, 0.00289049/step, 2.39621 hours remaining, 208.640625 MB of memory in use. ENERGY: 2015600 715.2060 2136.7524 1954.2181 103.0916 -205963.9797 17615.9333 0.0000 0.0000 34311.5043 -149127.2739 299.6509 -183438.7782 -149025.6207 298.9930 -93.2968 -54.9739 557507.2931 4.1333 4.0920 PRESSURE: 2015800 -136.288 -136.171 49.1908 -136.17 118.104 -4.89979 49.1915 -4.89817 -18.3631 GPRESSURE: 2015800 -67.0692 -181.829 111.836 -72.4856 77.7843 -6.14284 121.029 -16.1593 48.8362 PRESSAVG: 2015800 -34.3855 -12.5878 22.7565 -12.5878 -8.70536 -37.6275 22.7565 -37.6273 10.615 GPRESSAVG: 2015800 -33.9694 -13.1682 22.9807 -11.4167 -9.23512 -38.4105 21.915 -37.6152 10.0844 TIMING: 2015800 CPU: 5843.83, 0.00288397/step Wall: 5843.83, 0.00288397/step, 2.39065 hours remaining, 208.640625 MB of memory in use. ENERGY: 2015800 735.4523 2059.4052 1960.4240 117.5775 -205999.1208 17847.8057 0.0000 0.0000 34157.2160 -149121.2401 298.3035 -183278.4561 -149029.9480 299.8227 -12.1824 19.8504 557193.8385 -10.8253 -11.0401 PRESSURE: 2016000 131.385 -54.998 -9.47285 -54.9982 88.1315 32.4101 -9.47294 32.4104 -41.5692 GPRESSURE: 2016000 139.42 -22.6468 -65.8934 -60.3014 174.507 42.079 6.59381 11.0112 -30.9063 PRESSAVG: 2016000 63.4614 -2.67683 37.3667 -2.6768 40.4184 -4.4128 37.3667 -4.41272 -84.6746 GPRESSAVG: 2016000 63.2023 -3.24763 36.6344 -3.81499 40.5008 -3.90855 39.4867 -2.96871 -84.4473 TIMING: 2016000 CPU: 5844.41, 0.0028979/step Wall: 5844.41, 0.0028979/step, 2.40204 hours remaining, 208.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2016000 724.9744 2042.9857 1947.0465 104.0459 -206510.7473 17922.0750 0.0000 0.0000 34395.5244 -149374.0952 300.3847 -183769.6196 -149268.7191 299.9000 59.3156 94.3404 556815.7195 6.4017 6.4186 PRESSURE: 2016200 303.981 74.1734 46.2975 74.1729 46.5495 147.043 46.2961 147.042 100.5 GPRESSURE: 2016200 276.431 62.2624 107.758 40.937 128.691 117.417 19.5223 170.642 146.024 PRESSAVG: 2016200 19.5057 -65.289 12.4369 -65.289 -2.79604 41.1252 12.4368 41.1253 -0.758577 GPRESSAVG: 2016200 18.7481 -63.7089 13.9751 -65.0093 -2.12439 41.4304 10.3787 39.8855 -0.613668 TIMING: 2016200 CPU: 5844.99, 0.00290277/step Wall: 5844.99, 0.00290277/step, 2.40592 hours remaining, 208.640625 MB of memory in use. ENERGY: 2016200 751.1585 2099.0573 1934.9309 116.0873 -206569.7740 18116.9748 0.0000 0.0000 34357.4344 -149194.1308 300.0520 -183551.5652 -149096.8190 299.0313 150.3435 183.7154 556688.1674 5.3170 5.3367 LDB: ============= START OF LOAD BALANCING ============== 5848.38 LDB: ============== END OF LOAD BALANCING =============== 5848.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5848.38 LDB: ============= START OF LOAD BALANCING ============== 5848.67 LDB: Largest compute 4792 load 0.024032 is 20.4% of average load 0.117864 LDB: Average compute 0.001737 is 1.5% of average load 0.117864 LDB: TIME 5848.67 LOAD: AVG 0.117864 MAX 0.178891 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.422 MB LDB: TIME 5848.67 LOAD: AVG 0.117864 MAX 0.178891 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.465 MB LDB: TIME 5848.68 LOAD: AVG 0.117864 MAX 0.178891 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.465 MB LDB: ============== END OF LOAD BALANCING =============== 5848.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5848.68 PRESSURE: 2016400 -1.16703 -93.9016 112.855 -93.9024 -73.1635 -14.7751 112.855 -14.7751 -98.9101 GPRESSURE: 2016400 28.7134 -24.6868 140.325 -119.737 -13.112 -86.7228 80.8182 6.32752 -75.7519 PRESSAVG: 2016400 -1.72842 -0.945155 20.3532 -0.945092 27.5648 -0.66653 20.3532 -0.666558 -35.209 GPRESSAVG: 2016400 -1.34871 -1.6248 20.1769 -1.08236 26.5693 0.16325 20.1429 -1.5215 -34.2431 TIMING: 2016400 CPU: 5845.59, 0.00296706/step Wall: 5845.59, 0.00296706/step, 2.45903 hours remaining, 208.871094 MB of memory in use. ENERGY: 2016400 721.5841 2113.5797 1952.8201 118.0482 -205979.6210 17740.0489 0.0000 0.0000 34300.7665 -149032.7735 299.5571 -183333.5400 -148927.2665 299.1093 -57.7469 -20.0502 558388.7250 -3.1242 -3.0075 PRESSURE: 2016600 -45.1009 42.836 84.1617 42.8369 134.128 133.044 84.161 133.045 -94.3383 GPRESSURE: 2016600 -2.64701 -21.4643 127.172 2.41972 144.98 119.361 112.008 158.498 -40.7953 PRESSAVG: 2016600 -26.7184 -13.3232 14.7708 -13.3232 37.1571 9.87321 14.7708 9.87326 13.471 GPRESSAVG: 2016600 -26.6037 -13.943 15.7278 -12.4483 37.8934 8.49619 14.7957 10.6539 12.7502 TIMING: 2016600 CPU: 5846.17, 0.00289829/step Wall: 5846.17, 0.00289829/step, 2.40188 hours remaining, 209.074219 MB of memory in use. ENERGY: 2016600 740.3767 2124.1696 1963.6509 109.8241 -206282.2073 18015.8328 0.0000 0.0000 34406.1940 -148922.1592 300.4778 -183328.3532 -148819.6067 299.8109 -1.7702 33.8458 558194.5990 7.9699 8.0133 PRESSURE: 2016800 95.561 -78.9463 112.652 -78.9466 47.594 51.2981 112.652 51.2958 91.6553 GPRESSURE: 2016800 106.832 -43.6466 167.048 -107.208 88.7248 -25.8969 43.5237 76.5519 130.739 PRESSAVG: 2016800 -5.69609 29.0588 48.2327 29.0588 71.8907 23.4777 48.2326 23.4777 -35.3691 GPRESSAVG: 2016800 -6.62617 29.5339 48.0263 28.1816 72.8366 22.2735 48.2508 22.4296 -35.1551 TIMING: 2016800 CPU: 5846.75, 0.00290798/step Wall: 5846.75, 0.00290798/step, 2.40975 hours remaining, 209.074219 MB of memory in use. ENERGY: 2016800 749.2248 2085.2906 1968.9125 117.5989 -206297.1322 18030.7824 0.0000 0.0000 34335.8652 -149009.4577 299.8637 -183345.3230 -148910.6259 300.6671 78.2701 108.7652 557660.9673 10.2752 10.3518 PRESSURE: 2017000 -361.015 106.278 87.9012 106.278 -305.95 9.45371 87.9008 9.4551 -163.852 GPRESSURE: 2017000 -327.609 28.7727 50.0277 76.5525 -271.055 -1.17523 116.114 -66.4224 -135.683 PRESSAVG: 2017000 15.6403 15.3621 4.84081 15.3621 -28.0082 -27.7394 4.84088 -27.7396 8.32335 GPRESSAVG: 2017000 17.3625 11.7333 2.22028 16.8625 -28.9858 -26.9604 6.30427 -28.7487 7.7441 TIMING: 2017000 CPU: 5847.33, 0.00293658/step Wall: 5847.33, 0.00293658/step, 2.43329 hours remaining, 209.074219 MB of memory in use. ENERGY: 2017000 754.3033 2098.0795 1923.4983 114.8610 -205669.2709 17383.2684 0.0000 0.0000 34337.2613 -149057.9990 299.8758 -183395.2603 -148964.9784 299.9210 -276.9389 -244.7823 559411.3808 -1.3482 -1.2931 PRESSURE: 2017200 -207.422 -55.3972 99.1304 -55.3966 62.5333 53.1648 99.1305 53.1653 320.649 GPRESSURE: 2017200 -204.741 -86.754 47.451 -117.971 92.738 6.21743 143.026 17.4297 387.613 PRESSAVG: 2017200 0.129226 26.6861 36.0797 26.6862 -56.5345 44.722 36.0797 44.722 72.9939 GPRESSAVG: 2017200 0.279501 29.8518 38.0775 25.5415 -57.5477 44.6765 36.6243 45.2572 74.3446 TIMING: 2017200 CPU: 5847.91, 0.00289249/step Wall: 5847.91, 0.00289249/step, 2.39659 hours remaining, 209.074219 MB of memory in use. ENERGY: 2017200 715.0331 2174.3187 1942.6508 111.5495 -205933.1243 17911.3116 0.0000 0.0000 34108.1043 -148970.1563 297.8746 -183078.2606 -148874.3841 299.8657 58.5868 91.8702 558616.5139 5.5296 5.6921 PRESSURE: 2017400 -203.486 -84.6746 65.7972 -84.6761 -95.4857 89.9019 65.7971 89.9018 -161.801 GPRESSURE: 2017400 -187.051 -33.1293 15.5719 -81.1313 -49.3508 111.363 88.5562 21.3081 -120.71 PRESSAVG: 2017400 4.13614 19.3828 23.9315 19.3827 -7.13729 -9.32011 23.9316 -9.32025 19.097 GPRESSAVG: 2017400 3.74126 17.9073 23.7956 19.1432 -5.19673 -7.23452 24.0006 -9.36636 17.7805 TIMING: 2017400 CPU: 5848.49, 0.00288685/step Wall: 5848.49, 0.00288685/step, 2.39176 hours remaining, 209.074219 MB of memory in use. ENERGY: 2017400 724.7447 2074.4290 1963.4570 117.8186 -205996.7469 17619.8251 0.0000 0.0000 34395.1618 -149101.3106 300.3815 -183496.4724 -149005.3276 299.3692 -153.5910 -119.0373 558043.6427 5.3653 5.4417 PRESSURE: 2017600 -231.586 118.849 -11.6761 118.848 -91.6857 164.363 -11.6768 164.363 217.707 GPRESSURE: 2017600 -163.069 105.994 62.6357 203.663 -72.8146 157.617 -135.485 165.231 247.715 PRESSAVG: 2017600 -49.8944 -7.3021 -37.7627 -7.30201 47.8839 -12.7885 -37.7628 -12.7885 31.438 GPRESSAVG: 2017600 -49.6343 -5.3467 -35.6511 -9.07044 48.702 -14.3442 -40.8008 -12.442 30.8627 TIMING: 2017600 CPU: 5849.07, 0.00290236/step Wall: 5849.07, 0.00290236/step, 2.40444 hours remaining, 209.074219 MB of memory in use. ENERGY: 2017600 761.9976 2091.0600 1979.4024 119.8673 -206147.6388 17765.3281 0.0000 0.0000 34212.4401 -149217.5433 298.7857 -183429.9834 -149118.4847 299.0453 -35.1885 3.9438 557929.2848 9.8092 9.9768 PRESSURE: 2017800 -295.107 -11.0785 -102.524 -11.0805 -121.214 142.281 -102.524 142.28 -96.3245 GPRESSURE: 2017800 -309.891 -27.5997 -87.5517 50.2733 -57.5742 101.067 -146.464 166.923 -40.1977 PRESSAVG: 2017800 -21.1661 -8.71991 -7.08721 -8.7199 61.1563 33.8862 -7.0872 33.8862 37.867 GPRESSAVG: 2017800 -22.4494 -8.04891 -7.43849 -7.46791 60.6447 35.3379 -5.30289 33.1305 39.1153 TIMING: 2017800 CPU: 5849.65, 0.00288208/step Wall: 5849.65, 0.00288208/step, 2.38748 hours remaining, 209.074219 MB of memory in use. ENERGY: 2017800 750.1355 2115.1270 1964.6425 103.1959 -206148.5392 17624.7661 0.0000 0.0000 34313.0779 -149277.5944 299.6646 -183590.6722 -149180.4795 299.3416 -170.8818 -135.8875 556693.3183 25.9524 25.7702 PRESSURE: 2018000 -122.104 -0.982872 -198.056 -0.983984 -206.037 -87.7915 -198.056 -87.791 99.0986 GPRESSURE: 2018000 -83.7324 -52.0917 -293.521 37.1967 -226.334 -64.2416 -104.961 -34.1979 185.48 PRESSAVG: 2018000 -39.205 -12.3269 24.3868 -12.327 36.4626 25.2969 24.3868 25.2971 -16.2438 GPRESSAVG: 2018000 -38.5917 -13.0897 21.2966 -11.362 36.5467 24.317 24.9397 25.9274 -16.3 TIMING: 2018000 CPU: 5850.23, 0.00289726/step Wall: 5850.23, 0.00289726/step, 2.3999 hours remaining, 209.074219 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: 2018000 742.1381 2028.5832 1941.2629 105.4159 -205969.7427 17613.4458 0.0000 0.0000 34326.5946 -149212.3023 299.7827 -183538.8968 -149108.8646 299.5245 -76.3475 -41.5286 556163.8188 -6.3287 -6.1150 PRESSURE: 2018200 337.749 38.2907 29.5828 38.2918 175.884 18.2653 29.5838 18.2658 -62.8815 GPRESSURE: 2018200 354.911 -5.2512 40.6439 28.6368 241.929 -24.5062 21.3413 44.6224 -41.8604 PRESSAVG: 2018200 11.9877 -34.8649 29.3715 -34.865 14.2518 -33.857 29.3715 -33.8569 59.5093 GPRESSAVG: 2018200 12.928 -35.4238 30.4625 -36.1755 15.0875 -35.0294 28.7701 -33.1494 57.8159 TIMING: 2018200 CPU: 5850.8, 0.00289305/step Wall: 5850.8, 0.00289305/step, 2.39625 hours remaining, 209.074219 MB of memory in use. ENERGY: 2018200 732.8388 2067.7250 1942.2531 104.5184 -206347.6318 17967.7749 0.0000 0.0000 34230.1413 -149302.3804 298.9403 -183532.5216 -149204.4609 299.2369 150.2506 184.9931 557012.4630 28.5829 28.6105 PRESSURE: 2018400 43.4907 7.49007 126.848 7.4906 56.6991 2.10927 126.849 2.10743 218.958 GPRESSURE: 2018400 36.8848 -11.0028 120.283 -2.42551 97.9977 19.8364 171.051 -10.7164 283.749 PRESSAVG: 2018400 10.4696 28.9647 10.5498 28.9647 -7.5094 -73.8594 10.5499 -73.8594 15.3465 GPRESSAVG: 2018400 10.5272 30.5284 8.49556 26.7497 -8.85301 -73.1763 10.3417 -73.8559 16.082 TIMING: 2018400 CPU: 5851.39, 0.00290143/step Wall: 5851.39, 0.00290143/step, 2.40303 hours remaining, 209.074219 MB of memory in use. ENERGY: 2018400 717.4142 2082.8789 1926.7801 115.8892 -206542.4498 17989.8486 0.0000 0.0000 34306.8852 -149402.7536 299.6106 -183709.6388 -149299.3071 298.7963 106.3825 139.5439 557104.5980 6.1022 5.9187 PRESSURE: 2018600 -252.396 56.3549 109.254 56.3551 -101.53 -41.3972 109.254 -41.3963 -256.939 GPRESSURE: 2018600 -158.646 45.551 -15.6611 22.3475 -112.281 -13.6332 109.396 -83.7756 -230.497 PRESSAVG: 2018600 -55.086 24.9539 12.8707 24.954 41.0311 -30.5716 12.8707 -30.5717 -1.16886 GPRESSAVG: 2018600 -55.9319 24.5359 15.1369 27.6914 41.0882 -30.9668 12.8848 -30.6361 -0.550881 TIMING: 2018600 CPU: 5851.97, 0.0029028/step Wall: 5851.97, 0.0029028/step, 2.404 hours remaining, 209.074219 MB of memory in use. ENERGY: 2018600 736.7136 2060.1429 1980.3565 118.1153 -206234.1861 17698.4921 0.0000 0.0000 34180.3059 -149460.0596 298.5051 -183640.3656 -149363.4876 298.4258 -203.6214 -167.1411 557660.8413 -5.0746 -5.1315 PRESSURE: 2018800 -118.508 -11.2903 146.676 -11.2901 -74.5033 105.639 146.676 105.64 143.44 GPRESSURE: 2018800 -74.624 -0.0871362 174.927 2.50107 -47.8441 64.2052 98.8631 68.8101 181.111 PRESSAVG: 2018800 -48.2868 16.5576 34.2014 16.5576 7.04912 -17.1505 34.2013 -17.1505 36.7307 GPRESSAVG: 2018800 -48.8149 14.7115 36.5506 16.0125 7.36242 -16.0042 32.8812 -18.5867 36.7571 TIMING: 2018800 CPU: 5852.55, 0.00294472/step Wall: 5852.55, 0.00294472/step, 2.43855 hours remaining, 209.074219 MB of memory in use. ENERGY: 2018800 750.8910 2155.5226 1955.8961 117.9170 -206413.4841 17811.3413 0.0000 0.0000 34307.6873 -149314.2288 299.6176 -183621.9161 -149219.5147 298.9460 -16.5238 19.5476 556873.6785 -1.5024 -1.5652 PRESSURE: 2019000 1.57603 -197.876 40.6526 -197.875 217.521 21.4078 40.6525 21.4097 -15.2087 GPRESSURE: 2019000 55.1651 -231.486 19.1949 -205.324 158.729 79.0738 58.7557 15.9048 85.4336 PRESSAVG: 2019000 -61.7933 13.6611 -26.3794 13.6612 44.926 -23.5486 -26.3793 -23.5485 -17.0977 GPRESSAVG: 2019000 -61.4764 14.6597 -28.4188 14.9956 45.7023 -25.6462 -24.6966 -21.371 -18.3048 TIMING: 2019000 CPU: 5853.14, 0.00290627/step Wall: 5853.14, 0.00290627/step, 2.40655 hours remaining, 209.074219 MB of memory in use. ENERGY: 2019000 707.2086 2110.7832 1957.9564 107.0209 -206633.7533 18087.9324 0.0000 0.0000 34242.4925 -149420.3592 299.0482 -183662.8517 -149324.2490 298.7483 67.9629 99.7758 555106.7957 -11.3216 -11.3596 PRESSURE: 2019200 132.97 227.245 -54.3992 227.246 -97.8317 -209.22 -54.3988 -209.22 44.6355 GPRESSURE: 2019200 168.197 245.704 0.687004 203.346 -80.0722 -136.394 -33.9944 -139.265 95.2018 PRESSAVG: 2019200 16.833 60.9549 -23.432 60.9549 -59.1757 -2.12977 -23.4321 -2.12978 38.2588 GPRESSAVG: 2019200 16.3993 61.7973 -23.1781 59.7354 -60.6904 -0.550102 -23.931 -2.70523 40.5487 TIMING: 2019200 CPU: 5853.71, 0.00289187/step Wall: 5853.71, 0.00289187/step, 2.39447 hours remaining, 209.074219 MB of memory in use. ENERGY: 2019200 735.2211 2107.2317 1971.4073 113.6469 -206387.6974 17868.7743 0.0000 0.0000 34382.2761 -149209.1400 300.2690 -183591.4161 -149111.3232 299.2139 26.5912 61.1088 557384.9528 -1.3613 -1.2475 PRESSURE: 2019400 -13.8928 -56.6257 54.4746 -56.6271 -230.199 -94.5585 54.473 -94.5585 77.0436 GPRESSURE: 2019400 -35.7987 -98.7411 84.7691 8.69079 -206.069 -107.027 82.2867 -131.274 162.342 PRESSAVG: 2019400 9.10529 62.8236 -13.6388 62.8236 -38.501 71.6865 -13.6388 71.6867 68.5412 GPRESSAVG: 2019400 9.81771 61.4072 -12.1376 62.0776 -38.6754 69.5379 -15.3797 73.069 67.6187 TIMING: 2019400 CPU: 5854.29, 0.00290253/step Wall: 5854.29, 0.00290253/step, 2.40314 hours remaining, 209.074219 MB of memory in use. ENERGY: 2019400 727.0953 2088.0358 1949.6026 132.2504 -206039.2296 17696.9193 0.0000 0.0000 34301.3163 -149144.0100 299.5619 -183445.3263 -149039.4858 299.0167 -55.6827 -26.5086 556996.2559 13.0485 12.9203 PRESSURE: 2019600 -160.238 -57.6563 -81.4714 -57.6561 2.37066 94.2125 -81.471 94.2116 104.995 GPRESSURE: 2019600 -130.364 -46.9988 -80.0018 -118.506 58.5312 43.983 -52.3902 176.276 121.932 PRESSAVG: 2019600 -13.1208 16.358 -8.43583 16.358 -56.7123 25.6668 -8.43589 25.6668 15.2989 GPRESSAVG: 2019600 -14.2682 15.8699 -8.89909 16.726 -56.3828 26.2106 -6.21496 25.5354 16.1002 TIMING: 2019600 CPU: 5854.88, 0.0029076/step Wall: 5854.88, 0.0029076/step, 2.40717 hours remaining, 209.074219 MB of memory in use. ENERGY: 2019600 768.1037 2105.4403 1967.8361 97.8352 -206136.8895 17825.3728 0.0000 0.0000 34324.5580 -149047.7435 299.7649 -183372.3015 -148948.2011 299.7370 -17.6240 16.6998 557875.2141 -18.1780 -18.1836 PRESSURE: 2019800 136.84 91.0218 -79.0698 91.0227 269.92 4.44 -79.0708 4.43982 199.352 GPRESSURE: 2019800 137.382 33.1893 -104.237 137.308 295.893 -17.0807 -34.0773 9.64185 268.32 PRESSAVG: 2019800 -73.896 -8.50762 6.67398 -8.50763 64.6649 -2.5714 6.67394 -2.57147 72.9648 GPRESSAVG: 2019800 -73.169 -7.53829 4.29309 -8.79645 64.0583 -2.95237 6.58236 -3.47216 72.3813 TIMING: 2019800 CPU: 5855.46, 0.00291594/step Wall: 5855.46, 0.00291594/step, 2.41392 hours remaining, 209.074219 MB of memory in use. ENERGY: 2019800 739.7936 2128.9840 1916.7846 123.5563 -206267.5005 18043.4635 0.0000 0.0000 34255.8820 -149059.0364 299.1651 -183314.9185 -148962.1315 300.2262 202.0373 233.8651 556986.7603 21.2446 21.0902 PRESSURE: 2020000 -132.09 -71.8082 101.552 -71.8088 -36.1559 133.721 101.553 133.721 -157.715 GPRESSURE: 2020000 -116.405 -49.5984 78.5911 -44.0224 -22.1485 140.322 213.655 144.164 -91.9454 PRESSAVG: 2020000 19.4485 -39.6917 73.466 -39.6916 -2.93861 42.5649 73.466 42.5648 -9.46319 GPRESSAVG: 2020000 19.8008 -37.8345 74.5997 -40.1465 -3.78058 43.2439 74.0588 43.4562 -9.57072 TIMING: 2020000 CPU: 5856.04, 0.00289636/step Wall: 5856.04, 0.00289636/step, 2.39754 hours remaining, 209.074219 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: 2020000 732.7635 2166.7385 1936.9166 102.2923 -205890.6449 17665.6844 0.0000 0.0000 34339.3420 -148946.9076 299.8940 -183286.2496 -148848.0325 299.5522 -108.6536 -76.8328 558399.3712 2.3489 2.1498 PRESSURE: 2020200 -125.286 131.17 165.534 131.17 -82.1134 32.0479 165.535 32.0484 -115.303 GPRESSURE: 2020200 -65.9183 164.309 146.275 67.3803 -50.4752 -27.35 78.5235 155.27 -108.709 PRESSAVG: 2020200 -9.80497 -29.775 -5.58646 -29.7751 52.2243 14.3987 -5.58643 14.3987 -38.5642 GPRESSAVG: 2020200 -9.9223 -31.404 -5.20388 -29.8141 52.8884 15.2074 -8.15695 13.9729 -38.6681 TIMING: 2020200 CPU: 5856.62, 0.0029136/step Wall: 5856.62, 0.0029136/step, 2.41165 hours remaining, 209.074219 MB of memory in use. ENERGY: 2020200 733.8960 2056.9599 1928.2858 125.1612 -205936.1436 17594.0492 0.0000 0.0000 34398.4134 -149099.3780 300.4099 -183497.7915 -149006.1116 300.0951 -107.5672 -75.0343 557788.3288 1.2850 1.4327 LDB: ============= START OF LOAD BALANCING ============== 5860.01 LDB: ============== END OF LOAD BALANCING =============== 5860.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5860.01 LDB: ============= START OF LOAD BALANCING ============== 5860.3 LDB: Largest compute 4820 load 0.023810 is 20.2% of average load 0.117840 LDB: Average compute 0.001744 is 1.5% of average load 0.117840 LDB: TIME 5860.3 LOAD: AVG 0.11784 MAX 0.179573 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.414 MB LDB: TIME 5860.3 LOAD: AVG 0.11784 MAX 0.179573 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: TIME 5860.3 LOAD: AVG 0.11784 MAX 0.179573 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5860.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5860.31 PRESSURE: 2020400 126.688 -48.3259 -110.842 -48.3257 105.706 185.588 -110.842 185.588 32.2536 GPRESSURE: 2020400 177.056 -89.3581 -63.067 38.5676 96.4034 177.374 -39.2427 148.305 81.86 PRESSAVG: 2020400 -47.8221 -24.2988 -11.673 -24.2988 -2.5359 -33.8512 -11.6729 -33.8513 52.8109 GPRESSAVG: 2020400 -47.5472 -24.1809 -12.7005 -24.3715 -2.18617 -35.2792 -11.1444 -32.0985 52.7733 TIMING: 2020400 CPU: 5857.21, 0.00295255/step Wall: 5857.21, 0.00295255/step, 2.44373 hours remaining, 207.148438 MB of memory in use. ENERGY: 2020400 713.6335 2070.0543 1963.2306 112.4407 -206531.7955 17985.3001 0.0000 0.0000 34432.0543 -149255.0820 300.7037 -183687.1363 -149152.1440 299.6451 88.2161 118.4398 556073.3246 0.8176 1.0133 PRESSURE: 2020600 -35.0222 -19.3516 -5.88353 -19.352 264.057 -29.262 -5.88378 -29.2614 -167.582 GPRESSURE: 2020600 -25.5109 -6.47759 2.63512 0.830099 332.911 -15.2137 -45.5821 -84.4159 -155.12 PRESSAVG: 2020600 -16.8644 17.8668 -24.0941 17.8668 1.81743 14.2722 -24.0941 14.2722 42.7513 GPRESSAVG: 2020600 -16.9338 20.7723 -24.4773 16.4092 1.96069 15.1866 -23.7073 14.3009 42.529 TIMING: 2020600 CPU: 5857.79, 0.00290289/step Wall: 5857.79, 0.00290289/step, 2.40246 hours remaining, 207.347656 MB of memory in use. ENERGY: 2020600 755.3118 2093.5073 1954.3415 103.9787 -206073.1761 17693.0464 0.0000 0.0000 34297.8706 -149175.1199 299.5318 -183472.9904 -149076.4825 299.8088 20.4842 50.7601 555135.9142 9.2348 9.1853 PRESSURE: 2020800 -46.9709 69.7232 -66.2878 69.7234 -74.6814 21.1735 -66.2859 21.1742 -73.9821 GPRESSURE: 2020800 -45.7856 42.652 -72.2239 75.9625 -51.7109 26.98 -40.2287 -17.1546 -6.73512 PRESSAVG: 2020800 -17.1584 -33.5917 -57.5693 -33.5918 -30.9179 21.5252 -57.5694 21.5252 33.3923 GPRESSAVG: 2020800 -17.9473 -37.4766 -57.5012 -30.8404 -30.9945 23.6193 -58.7465 18.63 33.7573 TIMING: 2020800 CPU: 5858.38, 0.00295572/step Wall: 5858.38, 0.00295572/step, 2.44602 hours remaining, 207.347656 MB of memory in use. ENERGY: 2020800 753.6592 2027.3563 1941.2766 110.5257 -206005.3665 17522.3215 0.0000 0.0000 34300.8695 -149349.3578 299.5580 -183650.2273 -149252.9072 299.0497 -65.2115 -34.7439 555456.0660 -4.8947 -5.0615 PRESSURE: 2021000 -149.351 -84.5501 -26.2457 -84.5498 -169.377 30.2483 -26.246 30.2471 82.1865 GPRESSURE: 2021000 -133.085 -84.3526 -80.7537 -49.5878 -132.892 79.8664 -67.2888 19.4278 120.064 PRESSAVG: 2021000 12.6374 26.6359 -42.4671 26.6359 -9.90157 -15.7091 -42.4672 -15.709 32.6807 GPRESSAVG: 2021000 13.4089 28.7812 -43.3824 25.8848 -10.5325 -16.2484 -40.2389 -16.4845 32.8442 TIMING: 2021000 CPU: 5858.97, 0.00291305/step Wall: 5858.97, 0.00291305/step, 2.41055 hours remaining, 207.347656 MB of memory in use. ENERGY: 2021000 768.5624 2071.1269 1925.1600 105.3033 -206097.2677 17648.7839 0.0000 0.0000 34430.2014 -149148.1298 300.6875 -183578.3313 -149052.0902 299.0215 -78.8472 -48.6376 556196.2015 11.8055 11.9069 PRESSURE: 2021200 -44.6798 57.3774 56.1887 57.3775 -36.8495 -11.5174 56.1886 -11.5176 24.2113 GPRESSURE: 2021200 -1.77574 -22.2274 61.4216 82.3107 -16.6305 31.133 28.8138 -20.4004 64.7689 PRESSAVG: 2021200 -43.8725 2.73994 23.947 2.73987 13.8678 15.7335 23.9469 15.7334 -3.24834 GPRESSAVG: 2021200 -43.4295 2.53781 25.9986 2.42082 14.3954 14.7513 22.3739 17.0563 -3.38675 TIMING: 2021200 CPU: 5859.54, 0.00289199/step Wall: 5859.54, 0.00289199/step, 2.39296 hours remaining, 207.347656 MB of memory in use. ENERGY: 2021200 745.4015 2089.2609 1948.6304 117.5236 -206047.7469 17860.1777 0.0000 0.0000 34153.5320 -149133.2208 298.2713 -183286.7527 -149042.5346 299.7678 -19.1060 15.4542 556593.1174 -11.0843 -10.8069 PRESSURE: 2021400 13.4641 -76.2109 57.9327 -76.2106 -265.986 35.6175 57.9344 35.6177 45.3879 GPRESSURE: 2021400 18.5878 -69.7907 63.2639 -84.0181 -183.644 -1.39166 13.0143 96.6524 50.6709 PRESSAVG: 2021400 -21.9224 -23.9892 -39.0703 -23.9893 -5.16498 31.3767 -39.0703 31.3767 25.2675 GPRESSAVG: 2021400 -21.8114 -24.9327 -37.9813 -23.7901 -4.43708 30.3164 -39.8962 32.351 24.7871 TIMING: 2021400 CPU: 5860.12, 0.0028969/step Wall: 5860.12, 0.0028969/step, 2.39686 hours remaining, 207.347656 MB of memory in use. ENERGY: 2021400 759.4622 2106.4752 1926.6634 106.6661 -206056.9874 17675.1777 0.0000 0.0000 34332.5654 -149149.9775 299.8348 -183482.5429 -149051.9841 299.4895 -69.0448 -38.1285 557159.6249 -0.6066 -0.4871 PRESSURE: 2021600 -436.2 -3.68079 36.907 -3.68087 -167.307 133.06 36.9073 133.059 -291.818 GPRESSURE: 2021600 -371.934 -50.2918 38.8246 -30.2647 -141.938 49.1019 42.3791 168.02 -281.781 PRESSAVG: 2021600 -9.25163 -30.6785 -26.7634 -30.6786 -19.3836 -10.9373 -26.7634 -10.9374 20.3168 GPRESSAVG: 2021600 -9.84668 -31.1652 -27.3113 -30.3341 -19.6231 -11.253 -24.6944 -11.778 20.9824 TIMING: 2021600 CPU: 5860.7, 0.00290427/step Wall: 5860.7, 0.00290426/step, 2.4028 hours remaining, 207.347656 MB of memory in use. ENERGY: 2021600 773.9646 2088.5929 1958.9567 112.0159 -205442.6478 17238.2906 0.0000 0.0000 34450.6740 -148820.1532 300.8663 -183270.8272 -148721.9178 300.4621 -298.4418 -265.2177 557938.6913 -2.7728 -2.8291 PRESSURE: 2021800 124.916 93.6287 -126.134 93.6271 67.341 56.5173 -126.133 56.5168 122.732 GPRESSURE: 2021800 206.54 117.817 -170.482 95.5581 88.3712 136.298 -41.508 45.1058 111.618 PRESSAVG: 2021800 0.24221 -7.05975 18.0302 -7.05971 -33.8485 26.3253 18.0302 26.3253 1.28799 GPRESSAVG: 2021800 1.19123 -6.79431 17.0595 -8.61301 -33.875 26.6143 19.6042 25.9581 0.808733 TIMING: 2021800 CPU: 5861.28, 0.00289548/step Wall: 5861.28, 0.00289548/step, 2.39537 hours remaining, 207.347656 MB of memory in use. ENERGY: 2021800 718.3016 2156.8058 1933.9729 92.5332 -206174.5085 17978.9675 0.0000 0.0000 34400.9080 -148893.0194 300.4317 -183293.9274 -148806.5053 300.3590 104.9964 135.5099 557761.0927 -10.7728 -10.6250 PRESSURE: 2022000 -188.461 22.3085 -1.842 22.3086 16.6316 -173.522 -1.84215 -173.521 197.953 GPRESSURE: 2022000 -171.034 24.0807 -98.6398 1.48622 65.6806 -177.705 43.191 -164.475 238.147 PRESSAVG: 2022000 6.03756 -10.3263 -14.5434 -10.3264 -0.391532 -16.6234 -14.5435 -16.6234 36.546 GPRESSAVG: 2022000 6.62963 -8.42751 -15.2292 -8.96621 -0.0766028 -16.6608 -14.8737 -17.1958 36.6257 TIMING: 2022000 CPU: 5861.86, 0.00288273/step Wall: 5861.86, 0.00288273/step, 2.38465 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2022000 708.1563 2082.9692 1982.8130 106.4019 -205849.6526 17685.8722 0.0000 0.0000 34360.9091 -148922.5309 300.0824 -183283.4400 -148829.5615 300.7141 8.7079 44.2646 556753.8315 14.0640 14.3929 PRESSURE: 2022200 -69.4751 37.934 -80.9225 37.9338 249.333 -133.532 -80.9226 -133.532 248.843 GPRESSURE: 2022200 -12.7399 20.7056 -51.346 46.8835 252.859 -71.6687 -70.7001 -85.296 269.003 PRESSAVG: 2022200 -43.195 30.4822 -50.2363 30.4822 -27.3765 -74.7313 -50.2364 -74.7313 56.0884 GPRESSAVG: 2022200 -44.9235 27.7066 -50.805 30.8902 -27.1067 -73.7757 -51.9739 -71.6547 57.6078 TIMING: 2022200 CPU: 5862.44, 0.00289288/step Wall: 5862.44, 0.00289288/step, 2.3929 hours remaining, 207.347656 MB of memory in use. ENERGY: 2022200 709.7344 2122.5930 1967.7026 117.9791 -205985.4228 17671.7222 0.0000 0.0000 34348.7516 -149046.9397 299.9762 -183395.6914 -148954.6288 299.2735 142.9001 169.7076 555514.0779 -4.8277 -4.8075 PRESSURE: 2022400 -58.3907 -120.319 59.9584 -120.318 -160.688 106.568 59.9579 106.569 -250.204 GPRESSURE: 2022400 8.29784 -82.8415 7.02669 -191.618 -117.082 106.961 31.0817 54.3382 -257.525 PRESSAVG: 2022400 -9.96421 -18.842 -63.9898 -18.8419 27.6454 48.0717 -63.9897 48.0716 -8.83171 GPRESSAVG: 2022400 -8.7492 -18.7019 -63.8791 -19.7765 28.1561 48.0643 -63.2422 46.6688 -10.6401 TIMING: 2022400 CPU: 5863.02, 0.00289127/step Wall: 5863.02, 0.00289127/step, 2.3914 hours remaining, 207.347656 MB of memory in use. ENERGY: 2022400 756.4965 2113.5460 1944.9140 112.5470 -205648.4072 17471.9447 0.0000 0.0000 34261.1946 -148987.7644 299.2115 -183248.9589 -148893.1648 299.9708 -156.4273 -122.1032 558689.6130 2.9498 2.9223 PRESSURE: 2022600 169.649 112.931 -119.05 112.93 106.045 -10.93 -119.05 -10.9295 252.202 GPRESSURE: 2022600 164.805 60.83 -206.903 79.9291 156.248 -68.168 -146.899 -7.67824 295.076 PRESSAVG: 2022600 21.2741 -33.7888 -26.3642 -33.7888 32.8202 19.0198 -26.3642 19.0198 -42.5072 GPRESSAVG: 2022600 22.5879 -33.5811 -25.5543 -32.5084 32.2216 18.0083 -27.6396 19.9532 -43.4517 TIMING: 2022600 CPU: 5863.6, 0.00288975/step Wall: 5863.6, 0.00288975/step, 2.38998 hours remaining, 207.347656 MB of memory in use. ENERGY: 2022600 739.2197 2116.6016 1949.6666 135.4593 -206277.9962 17972.7055 0.0000 0.0000 34371.4478 -148992.8957 300.1744 -183364.3435 -148897.8699 299.7733 175.9656 205.3763 555941.2462 3.8624 3.7859 PRESSURE: 2022800 -2.39705 -86.5969 116.386 -86.598 -48.123 55.7925 116.386 55.7925 -406.17 GPRESSURE: 2022800 -6.85771 -38.1037 81.8022 -18.4776 -79.0529 151.824 73.5438 -9.41228 -283.071 PRESSAVG: 2022800 73.1901 19.0029 29.2224 19.0029 -17.8483 50.9019 29.2223 50.9018 -26.0834 GPRESSAVG: 2022800 71.6843 19.5386 28.1331 17.5 -18.9475 52.148 30.9092 51.1498 -23.2167 TIMING: 2022800 CPU: 5864.17, 0.00287792/step Wall: 5864.17, 0.00287792/step, 2.38004 hours remaining, 207.347656 MB of memory in use. ENERGY: 2022800 744.6163 2086.1881 1938.0708 99.6634 -205713.9744 17373.4519 0.0000 0.0000 34495.6515 -148976.3324 301.2591 -183471.9839 -148881.7639 299.6901 -152.2300 -122.9938 557117.8712 9.7528 9.8400 PRESSURE: 2023000 -190.281 -75.8263 -74.1914 -75.8265 -325.319 184.234 -74.1914 184.236 -282.358 GPRESSURE: 2023000 -139.281 -80.184 -51.3847 -92.0721 -273.368 175.443 20.6722 139.474 -288.079 PRESSAVG: 2023000 21.7385 -22.7332 -26.2114 -22.7333 46.2886 63.4587 -26.2114 63.4588 -40.6118 GPRESSAVG: 2023000 22.005 -21.7718 -25.2383 -22.8505 47.8489 64.7339 -28.1037 62.5589 -43.0656 TIMING: 2023000 CPU: 5864.75, 0.00289007/step Wall: 5864.75, 0.00289007/step, 2.38992 hours remaining, 207.347656 MB of memory in use. ENERGY: 2023000 761.9858 2073.1286 1956.4365 113.1576 -205914.3603 17534.1729 0.0000 0.0000 34353.7502 -149121.7288 300.0198 -183475.4790 -149021.1578 300.0114 -265.9857 -233.5763 557779.3953 9.1384 8.9294 PRESSURE: 2023200 -100.218 -117.383 38.9328 -117.383 -82.2346 -98.4938 38.9339 -98.4927 -48.0871 GPRESSURE: 2023200 -71.1626 -68.7006 118.048 -156.24 -88.1121 -92.272 -47.2737 -84.6998 30.212 PRESSAVG: 2023200 19.8811 -35.4313 10.9429 -35.4314 32.9522 -32.116 10.9429 -32.1159 8.05203 GPRESSAVG: 2023200 20.6501 -35.0477 11.4266 -33.8634 32.4224 -33.3018 9.68493 -34.5082 8.57176 TIMING: 2023200 CPU: 5865.33, 0.00289779/step Wall: 5865.33, 0.00289779/step, 2.39615 hours remaining, 207.347656 MB of memory in use. ENERGY: 2023200 735.7767 2109.5220 1944.6901 113.6410 -206263.8810 17910.6961 0.0000 0.0000 34227.1561 -149222.3990 298.9143 -183449.5551 -149116.2580 300.1121 -76.8466 -43.0209 557247.9696 20.2951 20.5481 PRESSURE: 2023400 -189.24 -20.9131 126.068 -20.9153 -296.532 13.4536 126.067 13.4543 -19.0584 GPRESSURE: 2023400 -209.013 -20.7014 122.728 -34.4914 -218.966 -19.0961 104.128 91.4878 14.7685 PRESSAVG: 2023400 -46.0929 -4.18381 50.5924 -4.18378 -25.1986 42.2064 50.5925 42.2064 -18.3994 GPRESSAVG: 2023400 -47.1116 -7.12593 49.8305 -4.1681 -24.3077 43.2638 53.0261 43.351 -18.4518 TIMING: 2023400 CPU: 5865.91, 0.00289949/step Wall: 5865.91, 0.00289949/step, 2.39739 hours remaining, 207.347656 MB of memory in use. ENERGY: 2023400 768.0488 2067.7605 1937.9569 117.0117 -206168.6773 17538.4892 0.0000 0.0000 34464.1589 -149275.2513 300.9841 -183739.4102 -149168.8335 299.4106 -168.2767 -137.7369 558503.9800 -29.8969 -29.9570 PRESSURE: 2023600 193.061 43.4675 -126.2 43.4672 -57.182 -36.8981 -126.199 -36.9005 -326.08 GPRESSURE: 2023600 241.942 43.4588 -122.274 -81.8964 -35.2224 -15.7652 -238.643 -50.708 -302.467 PRESSAVG: 2023600 63.8493 -15.6657 18.2562 -15.6657 -59.9162 64.9947 18.2563 64.9947 4.58303 GPRESSAVG: 2023600 64.0058 -14.0994 19.4122 -19.0519 -61.4838 62.6526 16.3526 66.7485 5.44501 TIMING: 2023600 CPU: 5866.48, 0.00287717/step Wall: 5866.48, 0.00287717/step, 2.37878 hours remaining, 207.347656 MB of memory in use. ENERGY: 2023600 778.5868 2167.1905 1940.3737 122.7613 -206212.7089 17711.8203 0.0000 0.0000 34192.4410 -149299.5352 298.6111 -183491.9762 -149198.6322 299.5420 -63.4004 -31.9160 556619.9988 2.8387 2.6556 PRESSURE: 2023800 -42.9663 -59.4911 -62.9388 -59.4901 -48.6958 7.9465 -62.938 7.94674 -362.476 GPRESSURE: 2023800 -81.2756 -92.4516 -144.986 -51.9395 -37.6967 30.4009 8.36933 35.2299 -219.293 PRESSAVG: 2023800 74.5474 -5.83786 47.1656 -5.83791 -36.3984 27.4211 47.1658 27.4212 -58.7555 GPRESSAVG: 2023800 74.1311 -4.83087 47.0581 -4.92736 -36.0469 27.6592 47.9063 25.7076 -58.6708 TIMING: 2023800 CPU: 5867.06, 0.00289759/step Wall: 5867.06, 0.00289759/step, 2.3955 hours remaining, 207.347656 MB of memory in use. ENERGY: 2023800 754.8232 2109.4401 1931.1375 127.9301 -206064.9084 17644.5359 0.0000 0.0000 34096.4971 -149400.5444 297.7732 -183497.0415 -149310.0603 299.0555 -151.3793 -112.7551 558097.4107 -6.8688 -6.8622 PRESSURE: 2024000 99.4778 -74.528 69.8729 -74.5275 202.006 139.243 69.8724 139.242 -6.17066 GPRESSURE: 2024000 145.022 -39.4222 68.9064 -43.9018 239.744 60.2118 70.7919 168.365 17.0215 PRESSAVG: 2024000 -29.0353 19.7704 4.60919 19.7704 -53.3749 15.5038 4.6092 15.5039 65.1457 GPRESSAVG: 2024000 -28.2593 17.8829 3.13991 21.3112 -53.0792 15.8474 5.6046 17.7933 63.9691 TIMING: 2024000 CPU: 5867.64, 0.00290622/step Wall: 5867.64, 0.00290622/step, 2.40247 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2024000 776.0092 2078.9264 1936.9560 108.7054 -206676.0217 17961.0989 0.0000 0.0000 34414.2313 -149400.0946 300.5480 -183814.3260 -149299.0538 299.0059 98.4379 133.9293 555547.0627 -5.7548 -5.7898 PRESSURE: 2024200 -99.3189 105.533 -190.348 105.534 -191.294 33.1889 -190.347 33.1899 -127.306 GPRESSURE: 2024200 -109.633 117.242 -173.375 115.769 -93.4607 46.676 -221.453 46.6461 -125.795 PRESSAVG: 2024200 49.6978 -59.4087 -20.8489 -59.4087 -52.8163 22.5561 -20.8489 22.5561 -16.3115 GPRESSAVG: 2024200 48.6786 -56.0119 -19.7939 -62.3232 -53.3963 21.6138 -22.166 21.023 -15.3687 TIMING: 2024200 CPU: 5868.22, 0.00290024/step Wall: 5868.22, 0.00290024/step, 2.39737 hours remaining, 207.347656 MB of memory in use. ENERGY: 2024200 772.5251 2082.6172 1942.0102 108.2290 -206341.5472 17759.6397 0.0000 0.0000 34168.0054 -149508.5205 298.3977 -183676.5259 -149412.6235 299.2363 -139.3063 -109.6296 557529.0866 -6.4767 -6.6955 LDB: ============= START OF LOAD BALANCING ============== 5871.61 LDB: ============== END OF LOAD BALANCING =============== 5871.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5871.61 LDB: ============= START OF LOAD BALANCING ============== 5871.9 LDB: Largest compute 4792 load 0.022807 is 19.4% of average load 0.117842 LDB: Average compute 0.001738 is 1.5% of average load 0.117842 LDB: TIME 5871.9 LOAD: AVG 0.117842 MAX 0.179531 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 5871.9 LOAD: AVG 0.117842 MAX 0.179531 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: TIME 5871.9 LOAD: AVG 0.117842 MAX 0.179531 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5871.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5871.91 PRESSURE: 2024400 -99.4927 84.0956 7.94311 84.0961 -103.008 -59.4106 7.94425 -59.4078 -68.1414 GPRESSURE: 2024400 -99.841 70.8076 -30.986 106.088 -50.6621 -76.0358 42.7665 -33.6031 -32.344 PRESSAVG: 2024400 39.1888 -10.2352 -33.4571 -10.2352 -72.5978 -15.8984 -33.457 -15.8984 19.0161 GPRESSAVG: 2024400 38.9638 -12.4484 -31.3762 -6.81758 -73.0918 -15.3752 -34.7569 -13.3753 19.7139 TIMING: 2024400 CPU: 5868.81, 0.0029416/step Wall: 5868.81, 0.0029416/step, 2.43139 hours remaining, 209.910156 MB of memory in use. ENERGY: 2024400 758.7087 2102.6867 1933.1991 119.3811 -206549.6295 17839.7264 0.0000 0.0000 34343.6602 -149452.2674 299.9317 -183795.9276 -149355.9363 298.6707 -90.2140 -60.9490 557141.3778 -4.7976 -4.8047 PRESSURE: 2024600 -38.9552 -141.976 -69.465 -141.975 -469.936 -159.111 -69.4652 -159.111 -55.2714 GPRESSURE: 2024600 11.4421 -186.161 -94.1045 -109.6 -437.521 -89.3138 -57.7871 -155.528 -35.0559 PRESSAVG: 2024600 58.4083 17.2956 -9.57374 17.2955 -72.7816 35.3842 -9.57376 35.3841 42.4188 GPRESSAVG: 2024600 58.5986 18.2681 -11.1659 16.8004 -73.3375 35.4204 -8.3369 33.9929 43.2913 TIMING: 2024600 CPU: 5869.39, 0.00286796/step Wall: 5869.39, 0.00286796/step, 2.37037 hours remaining, 210.167969 MB of memory in use. ENERGY: 2024600 726.8189 2098.3980 1926.9849 107.6718 -205711.3109 17459.8067 0.0000 0.0000 34149.8769 -149241.7537 298.2394 -183391.6306 -149143.2259 299.3250 -188.0542 -153.7115 557163.4882 9.3485 9.5174 PRESSURE: 2024800 113.234 -99.9405 -16.3583 -99.9391 65.5294 57.7267 -16.3581 57.7277 109.823 GPRESSURE: 2024800 75.7667 -111.831 -5.61544 -31.3123 129.486 -49.1284 71.1017 13.4883 172.753 PRESSAVG: 2024800 22.0337 -24.4988 -28.9996 -24.4988 -62.9746 -1.70579 -28.9996 -1.70581 47.027 GPRESSAVG: 2024800 22.4828 -26.8057 -31.0461 -22.9131 -62.5186 -0.0913122 -29.3874 -1.11395 45.2243 TIMING: 2024800 CPU: 5869.97, 0.00289327/step Wall: 5869.97, 0.00289327/step, 2.39112 hours remaining, 210.167969 MB of memory in use. ENERGY: 2024800 728.1408 2128.8204 1939.3550 101.2805 -206529.6500 17951.1970 0.0000 0.0000 34198.8522 -149482.0041 298.6671 -183680.8564 -149387.0527 298.9923 96.1956 126.0019 554364.6770 2.0287 1.7295 PRESSURE: 2025000 -123.465 25.6444 -10.1702 25.6449 -203.63 42.5523 -10.1709 42.5523 -250.487 GPRESSURE: 2025000 -55.7984 -48.0988 -52.1582 21.2682 -201.962 137.4 -18.6399 122.977 -228.248 PRESSAVG: 2025000 -27.2639 -22.8904 -21.2428 -22.8903 -8.96978 -23.5874 -21.2428 -23.5875 38.2056 GPRESSAVG: 2025000 -28.3819 -22.3685 -19.7954 -25.4448 -9.07234 -23.8055 -20.0316 -25.6652 39.901 TIMING: 2025000 CPU: 5870.54, 0.00287443/step Wall: 5870.54, 0.00287443/step, 2.3754 hours remaining, 210.460938 MB of memory in use. ENERGY: 2025000 733.8504 2061.4932 1937.9047 116.0111 -206090.9703 17421.6800 0.0000 0.0000 34394.4588 -149425.5721 300.3754 -183820.0309 -149334.5529 299.4480 -192.5275 -162.0027 556003.0558 0.6573 0.8156 PRESSURE: 2025200 1.84153 6.43357 106.75 6.43337 54.072 -5.39135 106.748 -5.39101 52.5462 GPRESSURE: 2025200 80.344 36.4027 91.2437 -26.2423 55.5168 -55.3344 128.793 80.7434 62.5542 PRESSAVG: 2025200 32.8371 -8.7857 -32.4068 -8.78578 -55.736 54.5738 -32.4067 54.5737 61.9515 GPRESSAVG: 2025200 34.4026 -9.63535 -30.8899 -6.16657 -56.2901 53.8495 -35.3462 58.3304 61.4698 TIMING: 2025200 CPU: 5871.12, 0.00288317/step Wall: 5871.12, 0.00288317/step, 2.38246 hours remaining, 210.460938 MB of memory in use. ENERGY: 2025200 759.1388 2057.5819 1945.2296 113.0134 -206462.7300 17739.8044 0.0000 0.0000 34669.2186 -149178.7434 302.7749 -183847.9620 -149083.4634 299.2610 36.1532 66.1383 554936.7876 13.0175 13.1941 PRESSURE: 2025400 -261.667 -47.8378 -7.19165 -47.8381 -325.538 137.022 -7.19137 137.021 -299.085 GPRESSURE: 2025400 -272.07 -1.84718 48.8585 -80.3561 -240.167 125.726 -20.1162 106.415 -274.575 PRESSAVG: 2025400 -33.7323 20.7129 -12.493 20.713 11.6178 27.6232 -12.4931 27.6232 77.3039 GPRESSAVG: 2025400 -34.786 23.0348 -14.9919 19.2063 13.1838 27.3655 -9.60976 25.3628 77.1673 TIMING: 2025400 CPU: 5871.69, 0.00288367/step Wall: 5871.69, 0.00288367/step, 2.38271 hours remaining, 210.460938 MB of memory in use. ENERGY: 2025400 711.7877 2082.0735 1956.7404 117.0972 -205429.9302 17106.3755 0.0000 0.0000 34319.2437 -149136.6121 299.7185 -183455.8558 -149034.8736 300.2997 -295.4301 -262.2707 557391.5493 18.3965 18.5217 PRESSURE: 2025600 -149.985 -62.7594 40.492 -62.7604 195.531 93.3644 40.4908 93.3656 117.55 GPRESSURE: 2025600 -82.2473 -120.285 75.5019 7.18059 219.94 178.005 46.2021 61.0723 126.693 PRESSAVG: 2025600 -32.4374 12.3374 -18.9699 12.3373 16.4063 27.509 -18.9699 27.509 -6.92381 GPRESSAVG: 2025600 -32.0324 9.25864 -19.0547 12.3258 15.1684 29.2376 -20.8884 29.4355 -6.48485 TIMING: 2025600 CPU: 5872.27, 0.00290389/step Wall: 5872.27, 0.00290389/step, 2.39926 hours remaining, 210.460938 MB of memory in use. ENERGY: 2025600 706.0178 2069.8907 1976.1406 116.5437 -206187.7448 17859.9481 0.0000 0.0000 34451.0730 -149008.1308 300.8698 -183459.2038 -148916.9271 300.3001 54.3654 88.1287 555522.2625 -7.6516 -7.7829 PRESSURE: 2025800 197.458 -84.5001 12.5202 -84.4999 268.521 -21.1038 12.5207 -21.1027 38.901 GPRESSURE: 2025800 259.219 -117.001 45.2167 -56.6877 220.793 61.1105 -65.2622 -31.7986 121.652 PRESSAVG: 2025800 35.476 -11.0121 -4.64154 -11.0121 30.4104 36.5983 -4.64154 36.5982 -30.7925 GPRESSAVG: 2025800 35.0067 -9.04447 -3.9976 -10.8959 31.7584 35.1037 -3.23127 35.4245 -31.8281 TIMING: 2025800 CPU: 5872.85, 0.00289518/step Wall: 5872.85, 0.00289518/step, 2.3919 hours remaining, 210.460938 MB of memory in use. ENERGY: 2025800 746.3696 2073.6806 1942.1661 119.4454 -206717.9444 18088.6387 0.0000 0.0000 34578.0844 -149169.5596 301.9790 -183747.6440 -149076.4947 300.0498 168.2934 200.5547 555356.4275 11.6980 11.6456 PRESSURE: 2026000 25.3723 51.1673 -11.1224 51.1671 -172.966 1.99946 -11.1222 2.00067 -79.4843 GPRESSURE: 2026000 77.8077 40.9024 72.325 -20.5127 -133.744 -18.2586 58.8945 25.488 -71.8896 PRESSAVG: 2026000 23.118 -2.2047 -0.736476 -2.20466 26.1431 10.991 -0.736532 10.9909 -32.6995 GPRESSAVG: 2026000 23.95 -1.63648 0.240212 -4.19776 25.187 11.3317 -1.47354 10.313 -32.5575 TIMING: 2026000 CPU: 5873.44, 0.00291426/step Wall: 5873.44, 0.00291426/step, 2.4075 hours remaining, 210.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2026000 746.2818 2109.7932 1952.8790 103.2827 -206187.6383 17718.9867 0.0000 0.0000 34253.2901 -149303.1248 299.1425 -183556.4150 -149219.3202 299.3531 -75.6927 -42.6086 555890.5968 5.5205 5.5265 PRESSURE: 2026200 70.5928 -69.9664 145.763 -69.9648 277.703 -50.4818 145.763 -50.4819 -38.0736 GPRESSURE: 2026200 139.926 -63.9755 41.4988 -85.8154 282.742 -23.4025 144.084 -13.2796 -30.5676 PRESSAVG: 2026200 6.44712 14.2594 40.6281 14.2595 31.4319 -27.6819 40.6281 -27.6818 -32.0613 GPRESSAVG: 2026200 6.88886 10.1979 38.5149 18.4487 31.1832 -26.2312 41.1212 -28.404 -33.0491 TIMING: 2026200 CPU: 5874.02, 0.00290714/step Wall: 5874.02, 0.00290714/step, 2.40146 hours remaining, 210.460938 MB of memory in use. ENERGY: 2026200 733.2014 2170.3646 1973.9946 114.6997 -206689.6642 18149.1615 0.0000 0.0000 34396.8727 -149151.3699 300.3964 -183548.2426 -149058.6877 300.0663 103.4074 130.7002 556805.0344 1.9392 1.6743 PRESSURE: 2026400 148.905 24.5671 93.9628 24.5671 -20.0203 182.06 93.9633 182.061 -23.9957 GPRESSURE: 2026400 164.241 -12.9939 114.879 20.4185 80.3381 129.907 154.244 64.1114 -29.4917 PRESSAVG: 2026400 -27.0415 -3.18811 -0.407285 -3.18811 59.3614 33.0754 -0.407359 33.0754 -36.2281 GPRESSAVG: 2026400 -27.9859 0.211547 0.150408 -6.37948 59.9362 32.0498 0.083905 32.2052 -36.0858 TIMING: 2026400 CPU: 5874.6, 0.002895/step Wall: 5874.6, 0.002895/step, 2.39127 hours remaining, 210.460938 MB of memory in use. ENERGY: 2026400 704.1345 2068.0540 1989.1370 115.1851 -206103.5427 17816.0149 0.0000 0.0000 34268.1916 -149142.8255 299.2726 -183411.0171 -149047.3299 299.1069 34.9629 71.6960 558087.3236 -1.3027 -1.3785 PRESSURE: 2026600 127.028 -123.255 -81.9231 -123.255 54.5964 87.3574 -81.923 87.3568 -120.195 GPRESSURE: 2026600 112.458 -140.331 -122.471 -69.4793 91.9573 89.7583 -35.289 116.954 -42.3369 PRESSAVG: 2026600 22.0047 -6.10908 -23.1315 -6.10913 78.9051 45.9491 -23.1315 45.9491 -100.01 GPRESSAVG: 2026600 20.9275 -7.26937 -22.52 -4.59492 78.4333 45.907 -24.2877 47.1149 -98.7519 TIMING: 2026600 CPU: 5875.18, 0.00290541/step Wall: 5875.18, 0.00290541/step, 2.39971 hours remaining, 210.460938 MB of memory in use. ENERGY: 2026600 751.6749 2110.6818 1945.0273 122.6514 -206319.3295 17912.4598 0.0000 0.0000 34308.2825 -149168.5519 299.6228 -183476.8343 -149065.7037 299.0365 20.4766 54.0260 556097.1604 0.3000 0.2030 PRESSURE: 2026800 -70.9021 9.94964 -27.7363 9.94737 -308.445 43.8552 -27.736 43.8567 90.6186 GPRESSURE: 2026800 -103.697 20.5258 -42.3493 50.9248 -230.897 -4.51273 15.7657 -7.95 134.512 PRESSAVG: 2026800 38.0591 3.87398 25.5697 3.87416 4.60647 16.8324 25.5697 16.8324 -29.3906 GPRESSAVG: 2026800 39.1848 4.9774 26.2013 1.46801 5.03929 17.2792 26.1377 17.3618 -31.0036 TIMING: 2026800 CPU: 5875.75, 0.00288308/step Wall: 5875.75, 0.00288308/step, 2.3811 hours remaining, 210.460938 MB of memory in use. ENERGY: 2026800 754.5371 2123.8892 1942.1263 111.2187 -206036.1794 17688.3128 0.0000 0.0000 34089.9296 -149326.1657 297.7158 -183416.0954 -149227.9495 298.7704 -96.2430 -66.6939 557050.8007 4.4250 4.4068 PRESSURE: 2027000 -325.956 -131.068 -179.955 -131.068 -8.0713 -178.419 -179.954 -178.42 31.236 GPRESSURE: 2027000 -254.958 -107.822 -90.8978 -198.569 8.55483 -126.887 -147.984 -93.115 52.461 PRESSAVG: 2027000 -80.3975 -47.8788 -18.1428 -47.8788 50.4537 17.1417 -18.1429 17.1416 -14.0447 GPRESSAVG: 2027000 -79.8172 -47.5971 -20.3107 -48.8396 50.1738 17.4621 -17.2998 15.6147 -13.7743 TIMING: 2027000 CPU: 5876.34, 0.00290366/step Wall: 5876.34, 0.00290366/step, 2.39794 hours remaining, 210.460938 MB of memory in use. ENERGY: 2027000 758.3631 2071.4496 1967.3603 116.9837 -205820.2370 17553.5678 0.0000 0.0000 33984.9926 -149367.5198 296.7994 -183352.5125 -149268.9770 298.8347 -100.9303 -64.6473 556690.4626 -14.6628 -14.4726 PRESSURE: 2027200 254.417 46.4652 -45.628 46.4653 -180.058 6.66531 -45.6287 6.66442 96.545 GPRESSURE: 2027200 313.252 34.5313 -10.4612 61.8154 -151.677 29.0087 -67.9492 -63.4215 111.85 PRESSAVG: 2027200 -10.2198 -13.1503 -0.512555 -13.1502 1.11032 1.87449 -0.512407 1.87431 6.37356 GPRESSAVG: 2027200 -10.8019 -12.1447 2.52361 -11.9343 1.92804 0.383927 -2.8376 5.27714 6.37041 TIMING: 2027200 CPU: 5876.92, 0.0029091/step Wall: 5876.92, 0.0029091/step, 2.40227 hours remaining, 210.460938 MB of memory in use. ENERGY: 2027200 748.0659 2032.3431 1948.0034 98.9738 -206229.0587 17837.4330 0.0000 0.0000 34229.3751 -149334.8644 298.9336 -183564.2395 -149240.6470 298.5020 56.9682 91.1419 555655.3875 -0.9120 -0.8345 PRESSURE: 2027400 175.896 -102.25 -51.206 -102.25 5.54161 43.2028 -51.2068 43.204 163.871 GPRESSURE: 2027400 187.178 -154.641 -13.1846 -104.385 24.3102 124.791 -91.6179 -10.4117 223.278 PRESSAVG: 2027400 48.884 -53.923 -15.0051 -53.9229 19.9184 -2.84432 -15.0051 -2.84437 -54.0523 GPRESSAVG: 2027400 48.7996 -56.0665 -15.7212 -52.318 19.7492 -1.34299 -15.1362 -6.54264 -53.8377 TIMING: 2027400 CPU: 5877.5, 0.00290508/step Wall: 5877.5, 0.00290508/step, 2.39879 hours remaining, 210.460938 MB of memory in use. ENERGY: 2027400 756.1549 2061.8073 1954.1186 111.9383 -206593.0915 17968.6283 0.0000 0.0000 34506.1515 -149234.2924 301.3508 -183740.4439 -149133.8779 299.3994 115.1026 144.9224 554196.8070 4.9167 4.9037 PRESSURE: 2027600 168.991 -117.677 132.66 -117.676 57.1815 97.5032 132.66 97.5033 -129.615 GPRESSURE: 2027600 182.181 -103.111 102.929 -152.376 74.0101 3.44823 160.771 -44.3039 -80.092 PRESSAVG: 2027600 -50.3389 -14.9576 -9.08709 -14.9577 91.0836 -25.1355 -9.08703 -25.1356 -74.9595 GPRESSAVG: 2027600 -50.844 -16.1323 -10.3153 -16.6024 91.3591 -24.5203 -9.28547 -23.8765 -73.9545 TIMING: 2027600 CPU: 5878.08, 0.0029162/step Wall: 5878.08, 0.0029162/step, 2.40781 hours remaining, 210.460938 MB of memory in use. ENERGY: 2027600 777.0369 2118.0735 1953.2844 108.3118 -205820.4204 17632.5302 0.0000 0.0000 34058.2224 -149172.9612 297.4389 -183231.1836 -149080.4926 300.2681 32.1858 58.6996 555661.9520 -11.4050 -11.1464 PRESSURE: 2027800 77.3057 -158.11 13.9476 -158.11 -121.932 -33.2586 13.948 -33.2574 6.58786 GPRESSURE: 2027800 79.0806 -165.843 57.4739 -193.017 -80.5797 25.7888 35.7743 2.45889 50.4498 PRESSAVG: 2027800 65.5754 -13.9181 28.0881 -13.9181 -44.3895 9.81901 28.088 9.81897 -24.6314 GPRESSAVG: 2027800 66.7445 -13.4733 29.0043 -11.4844 -43.9057 9.00254 29.8933 10.996 -26.4837 TIMING: 2027800 CPU: 5878.66, 0.0028935/step Wall: 5878.66, 0.0028935/step, 2.3889 hours remaining, 210.460938 MB of memory in use. ENERGY: 2027800 759.9012 2129.4411 1948.1166 109.2421 -205906.5921 17531.5788 0.0000 0.0000 34244.8110 -149183.5012 299.0685 -183428.3122 -149090.3565 299.2503 -12.6795 16.3169 555915.0270 -1.1485 -1.2150 PRESSURE: 2028000 0.264193 -0.728772 34.4692 -0.726364 -251.492 -112.812 34.4682 -112.813 -26.6774 GPRESSURE: 2028000 34.7358 -0.184224 65.1333 24.4833 -182.093 -73.5444 -54.4596 -106.079 -34.7093 PRESSAVG: 2028000 -39.6334 50.8183 22.4101 50.8183 46.171 27.3539 22.4101 27.354 -1.24282 GPRESSAVG: 2028000 -41.1709 50.9076 22.438 49.6438 45.3013 26.6868 21.5182 26.9152 1.05756 TIMING: 2028000 CPU: 5879.23, 0.00287554/step Wall: 5879.23, 0.00287554/step, 2.37392 hours remaining, 210.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2028000 773.2136 2150.0608 1948.1156 118.2850 -206159.3907 17597.5633 0.0000 0.0000 34287.2424 -149284.9100 299.4390 -183572.1524 -149194.9975 299.3235 -92.6350 -60.6888 557144.7975 1.7649 1.7293 PRESSURE: 2028200 114.277 74.0049 85.3216 74.0049 69.6418 -36.5993 85.3218 -36.5982 451.628 GPRESSURE: 2028200 158.559 42.7953 58.5251 79.7498 140.766 -21.5905 123.799 -69.883 426.692 PRESSAVG: 2028200 6.65059 36.7506 -38.6852 36.7506 -77.7386 23.7271 -38.6851 23.7271 68.8611 GPRESSAVG: 2028200 7.27017 39.3238 -39.3088 35.4497 -76.737 25.2175 -38.9673 22.1145 67.3867 TIMING: 2028200 CPU: 5879.82, 0.00290198/step Wall: 5879.82, 0.00290198/step, 2.39558 hours remaining, 210.460938 MB of memory in use. ENERGY: 2028200 748.1629 2110.3803 1960.5983 121.9512 -206637.6734 18060.0724 0.0000 0.0000 34262.4992 -149374.0090 299.2229 -183636.5083 -149274.5908 298.5312 211.8490 242.0057 556592.6676 -0.7423 -0.6934 LDB: ============= START OF LOAD BALANCING ============== 5883.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5883.2 LDB: =============== DONE WITH MIGRATION ================ 5883.21 LDB: ============= START OF LOAD BALANCING ============== 5883.5 LDB: Largest compute 4793 load 0.022509 is 19.1% of average load 0.117912 LDB: Average compute 0.001746 is 1.5% of average load 0.117912 LDB: TIME 5883.5 LOAD: AVG 0.117912 MAX 0.179354 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 5883.5 LOAD: AVG 0.117912 MAX 0.179354 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.453 MB LDB: TIME 5883.5 LOAD: AVG 0.117912 MAX 0.179354 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5883.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5883.51 PRESSURE: 2028400 62.6915 52.2355 3.93044 52.2356 131.326 102.281 3.9314 102.28 163.142 GPRESSURE: 2028400 65.3942 39.6565 -96.2965 26.878 171.487 24.3133 100.042 130.117 206.198 PRESSAVG: 2028400 -0.545026 60.4866 -34.6463 60.4867 -84.7892 17.2905 -34.6463 17.2906 49.906 GPRESSAVG: 2028400 -1.47194 57.0749 -32.9381 61.3315 -84.5313 15.3566 -34.1148 19.0054 50.5169 TIMING: 2028400 CPU: 5880.41, 0.00298626/step Wall: 5880.41, 0.00298626/step, 2.46499 hours remaining, 208.410156 MB of memory in use. ENERGY: 2028400 740.1848 2097.0781 1923.4917 121.6514 -206649.4301 17966.8211 0.0000 0.0000 34332.8057 -149467.3973 299.8369 -183800.2030 -149376.3345 299.3265 119.0529 147.6933 557423.2756 -11.8094 -11.8288 PRESSURE: 2028600 122.209 5.40939 -186.642 5.40901 93.6799 90.7051 -186.641 90.7046 -173.288 GPRESSURE: 2028600 171.817 -45.7109 -178.591 3.19019 89.786 52.2659 -186.587 26.5616 -117.409 PRESSAVG: 2028600 27.2205 29.7313 -30.7567 29.7313 40.6578 3.16778 -30.7566 3.16775 -19.0918 GPRESSAVG: 2028600 27.857 30.9724 -32.8246 28.5297 39.8902 5.32043 -29.5889 2.23042 -18.8792 TIMING: 2028600 CPU: 5880.99, 0.00289378/step Wall: 5880.99, 0.00289378/step, 2.3885 hours remaining, 208.609375 MB of memory in use. ENERGY: 2028600 757.8929 2060.2662 1948.9683 115.0307 -206428.9333 17990.6711 0.0000 0.0000 34217.2214 -149338.8827 298.8275 -183556.1040 -149236.5049 299.1427 14.2006 48.0645 558580.6963 16.2621 16.2893 PRESSURE: 2028800 -24.9257 47.3921 -147.596 47.3926 -93.2105 -81.557 -147.596 -81.5569 -160.684 GPRESSURE: 2028800 -15.2198 2.9764 -80.1088 51.5162 -55.0116 -138.21 -215.663 -147.295 -97.1586 PRESSAVG: 2028800 36.1724 -14.0538 -71.0032 -14.0536 -14.3336 32.4485 -71.0032 32.4486 -18.6313 GPRESSAVG: 2028800 36.401 -13.5185 -68.4216 -14.642 -13.7983 31.8526 -72.9079 32.2525 -19.6897 TIMING: 2028800 CPU: 5881.57, 0.00288771/step Wall: 5881.57, 0.00288771/step, 2.38333 hours remaining, 208.609375 MB of memory in use. ENERGY: 2028800 743.7223 2036.3351 1941.4550 120.8999 -205809.8498 17615.1656 0.0000 0.0000 34083.1696 -149269.1023 297.6568 -183352.2719 -149172.9945 299.0288 -92.9399 -55.7967 556515.1066 1.0692 0.9710 PRESSURE: 2029000 109.895 -61.6373 35.1663 -61.6368 -66.2506 8.1594 35.1664 8.15961 67.1258 GPRESSURE: 2029000 123.611 -43.8799 101.521 -50.0515 -31.0517 73.3191 66.1931 -35.8564 117.95 PRESSAVG: 2029000 -17.4884 1.06311 -15.1438 1.06318 8.30704 -5.70283 -15.1439 -5.70293 1.44353 GPRESSAVG: 2029000 -17.2263 0.880473 -19.2352 -0.0047355 7.75178 -5.31411 -13.3105 -4.83067 1.56759 TIMING: 2029000 CPU: 5882.15, 0.00290264/step Wall: 5882.15, 0.00290264/step, 2.39548 hours remaining, 208.609375 MB of memory in use. ENERGY: 2029000 746.1105 2107.8073 1951.0631 112.6807 -206354.2314 17966.9502 0.0000 0.0000 34191.5232 -149278.0963 298.6031 -183469.6196 -149182.1470 299.4635 36.9232 70.1701 557107.4498 -2.5793 -2.6357 PRESSURE: 2029200 -25.3425 24.8588 198.252 24.8588 309.597 129.65 198.25 129.65 -293.043 GPRESSURE: 2029200 -33.6751 18.0726 223.749 26.5194 326.03 74.7594 235.865 145.432 -215.246 PRESSAVG: 2029200 14.5764 -59.5298 6.57958 -59.5298 45.051 40.0669 6.57958 40.067 -9.7399 GPRESSAVG: 2029200 13.2467 -61.0689 8.10496 -56.1966 45.7346 41.473 6.05994 39.2335 -9.79311 TIMING: 2029200 CPU: 5882.73, 0.00288591/step Wall: 5882.73, 0.00288591/step, 2.38152 hours remaining, 208.609375 MB of memory in use. ENERGY: 2029200 712.9397 2093.5702 1962.7138 119.0536 -206511.9469 17824.6661 0.0000 0.0000 34325.9103 -149473.0933 299.7767 -183799.0036 -149370.3402 298.7767 -2.9295 25.7031 556443.8100 16.6291 16.3960 PRESSURE: 2029400 141.612 -31.5533 -79.6975 -31.5517 -0.611814 145.149 -79.697 145.149 2.43201 GPRESSURE: 2029400 167.919 -34.0317 -30.9099 5.0107 -0.183139 112.819 -60.7152 186.133 74.4733 PRESSAVG: 2029400 22.3001 35.1627 -0.463644 35.1628 1.15205 10.8212 -0.463687 10.8212 11.2134 GPRESSAVG: 2029400 23.4092 35.6279 -0.355734 33.7682 -0.527954 10.2251 -0.617289 11.4614 11.8448 TIMING: 2029400 CPU: 5883.31, 0.0029083/step Wall: 5883.31, 0.0029083/step, 2.39983 hours remaining, 208.609375 MB of memory in use. ENERGY: 2029400 749.2160 2108.5958 1965.6957 119.2135 -206715.0030 18003.3031 0.0000 0.0000 34139.8059 -149629.1730 298.1514 -183768.9788 -149534.8955 297.6819 47.8107 80.7365 556472.4399 11.5552 11.5754 PRESSURE: 2029600 81.0352 -8.24038 156.895 -8.23981 -184.013 160.504 156.896 160.503 92.2821 GPRESSURE: 2029600 79.8388 -38.312 134.115 -46.5119 -95.9101 134.29 92.3809 165.929 112.938 PRESSAVG: 2029600 36.7719 37.395 -10.6313 37.3949 -35.1599 5.68761 -10.6313 5.68761 7.1028 GPRESSAVG: 2029600 36.4553 35.9635 -10.519 38.006 -33.746 4.48583 -12.9507 6.45826 6.46239 TIMING: 2029600 CPU: 5883.89, 0.00290592/step Wall: 5883.89, 0.00290592/step, 2.39771 hours remaining, 208.730469 MB of memory in use. ENERGY: 2029600 779.7552 2108.6764 1968.3945 135.7946 -206626.6936 17905.0484 0.0000 0.0000 34142.8517 -149586.1728 298.1780 -183729.0245 -149488.7195 297.8326 -3.5652 32.2890 555403.8590 2.9050 3.0572 PRESSURE: 2029800 -210.061 -119.491 65.5604 -119.491 -156.13 102.252 65.561 102.252 -113.773 GPRESSURE: 2029800 -220.593 -162.372 93.6356 -58.1241 -105.869 29.3081 18.8376 45.1944 -56.5547 PRESSAVG: 2029800 -43.4279 33.6099 11.8556 33.6099 26.8697 6.39114 11.8556 6.39103 7.93274 GPRESSAVG: 2029800 -43.5805 36.123 10.6917 33.3553 26.2721 6.69408 15.1253 4.06998 8.51512 TIMING: 2029800 CPU: 5884.47, 0.00290264/step Wall: 5884.47, 0.00290264/step, 2.39484 hours remaining, 208.730469 MB of memory in use. ENERGY: 2029800 739.6560 2195.8417 1936.8687 115.1339 -206444.8200 17685.3659 0.0000 0.0000 34211.0915 -149560.8622 298.7740 -183771.9538 -149460.1873 299.0877 -159.9878 -127.6723 556878.4950 -2.8751 -2.9311 PRESSURE: 2030000 67.7137 -131.782 165.797 -131.784 -160.944 -241.684 165.795 -241.683 -68.6041 GPRESSURE: 2030000 89.9201 -115.973 202.296 -181.671 -72.2408 -183.103 156.847 -294.332 -72.2582 PRESSAVG: 2030000 -33.0063 -32.416 43.9506 -32.4159 0.751605 -47.8668 43.9506 -47.8668 30.8583 GPRESSAVG: 2030000 -33.6145 -31.5365 46.3775 -34.1906 0.78538 -48.0767 42.5994 -45.8216 31.1128 TIMING: 2030000 CPU: 5885.05, 0.00290841/step Wall: 5885.05, 0.00290841/step, 2.39944 hours remaining, 208.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2030000 709.1934 2064.8324 1961.6386 120.9029 -206519.0780 17836.2023 0.0000 0.0000 34141.7208 -149684.5875 298.1681 -183826.3083 -149597.7262 299.1869 -53.9448 -18.1930 557577.3798 -0.4655 -0.5721 PRESSURE: 2030200 -99.9364 46.9284 130.272 46.9286 -76.4548 -15.263 130.271 -15.2644 -169.926 GPRESSURE: 2030200 -77.6658 -24.3198 165.967 12.817 5.57371 -16.7376 195.227 -71.5977 -178.107 PRESSAVG: 2030200 -30.0872 -25.7484 62.6371 -25.7484 23.9009 -49.3382 62.637 -49.3382 -7.77887 GPRESSAVG: 2030200 -30.1165 -28.191 61.6892 -24.349 23.4375 -48.4816 62.6812 -49.2965 -7.56115 TIMING: 2030200 CPU: 5885.63, 0.00291226/step Wall: 5885.63, 0.00291226/step, 2.40245 hours remaining, 208.730469 MB of memory in use. ENERGY: 2030200 761.5380 2048.9040 1923.4750 117.9704 -206612.5905 17970.3098 0.0000 0.0000 34215.0179 -149575.3755 298.8083 -183790.3935 -149483.2794 298.7848 -115.4390 -83.3998 558747.7201 -4.6551 -4.7467 PRESSURE: 2030400 -138.568 120.656 189.982 120.656 -124.492 -21.18 189.982 -21.1779 -208.79 GPRESSURE: 2030400 -128.828 148.456 193.121 46.0588 -96.6675 -36.588 228.808 -90.8014 -128.776 PRESSAVG: 2030400 -8.19436 -72.7314 20.8913 -72.7314 -5.96793 38.961 20.8912 38.9609 13.7129 GPRESSAVG: 2030400 -7.75637 -70.7899 20.5356 -73.0798 -5.22702 37.2181 20.3732 37.8155 13.3022 TIMING: 2030400 CPU: 5886.22, 0.00291142/step Wall: 5886.22, 0.00291142/step, 2.4016 hours remaining, 208.730469 MB of memory in use. ENERGY: 2030400 791.3356 2041.5965 1957.2905 105.3359 -206566.0759 17789.0384 0.0000 0.0000 34351.2575 -149530.2215 299.9981 -183881.4790 -149431.1793 298.4532 -157.2832 -118.0902 558689.1895 -0.1498 0.1063 PRESSURE: 2030600 27.9362 7.2063 -11.4555 7.20598 70.7953 148.796 -11.4574 148.794 264.906 GPRESSURE: 2030600 46.2206 29.9579 18.8831 -29.5843 113.152 164.171 -71.1751 148.838 314.033 PRESSAVG: 2030600 27.4391 -6.14834 -6.69824 -6.14832 -13.3201 80.5579 -6.69832 80.5578 21.3615 GPRESSAVG: 2030600 27.6401 -6.52575 -7.31595 -9.2019 -13.8357 80.5443 -6.20021 79.9764 21.1744 TIMING: 2030600 CPU: 5886.79, 0.00286447/step Wall: 5886.79, 0.00286448/step, 2.36271 hours remaining, 208.730469 MB of memory in use. ENERGY: 2030600 735.9758 2083.3517 1944.1873 118.5883 -206674.0921 18116.8802 0.0000 0.0000 34100.7132 -149574.3956 297.8100 -183675.1088 -149477.0023 297.7675 121.2124 157.8018 557254.3843 11.8268 11.6596 PRESSURE: 2030800 -8.14933 11.3913 -118.86 11.3923 211.136 75.0045 -118.86 75.0059 -85.0158 GPRESSURE: 2030800 27.9834 63.7131 -100.065 20.4575 247.522 98.0747 -91.6983 119.304 -61.4341 PRESSAVG: 2030800 -20.6052 28.3253 37.766 28.3253 -38.8251 47.321 37.7661 47.321 40.4794 GPRESSAVG: 2030800 -21.7369 28.6227 39.6135 33.0251 -38.2486 47.3021 37.527 50.071 40.7796 TIMING: 2030800 CPU: 5887.36, 0.00287322/step Wall: 5887.36, 0.00287322/step, 2.36977 hours remaining, 208.730469 MB of memory in use. ENERGY: 2030800 721.9272 2097.8583 1934.5131 118.5997 -206469.9005 18026.5590 0.0000 0.0000 34152.4923 -149417.9509 298.2622 -183570.4432 -149326.7430 298.4588 39.3237 71.3570 559046.2262 -6.3170 -6.4020 PRESSURE: 2031000 134.46 -19.9233 11.3321 -19.9226 8.09951 12.0871 11.3324 12.087 66.0801 GPRESSURE: 2031000 182.883 -22.0073 -3.53917 38.8229 56.4909 -43.0928 20.9068 42.14 55.8658 PRESSAVG: 2031000 52.7618 -64.0175 0.249745 -64.0175 -28.1174 13.7369 0.249899 13.7369 -0.887879 GPRESSAVG: 2031000 53.1681 -64.2358 -0.606016 -65.2685 -29.5201 14.6154 1.0668 10.2378 -0.328198 TIMING: 2031000 CPU: 5887.95, 0.00291437/step Wall: 5887.95, 0.00291437/step, 2.40355 hours remaining, 208.730469 MB of memory in use. ENERGY: 2031000 733.9386 2079.4077 1953.3694 116.9216 -206640.2972 18097.8384 0.0000 0.0000 34251.5594 -149407.2621 299.1274 -183658.8215 -149313.1517 298.7073 69.5467 98.4131 559178.8629 7.9188 7.7733 PRESSURE: 2031200 -82.1107 34.3797 54.1815 34.3799 -115.356 2.89064 54.1808 2.88948 -141.68 GPRESSURE: 2031200 -38.6327 4.19376 92.4331 -18.0556 -99.8836 -62.2387 -37.7047 7.34601 -102.46 PRESSAVG: 2031200 66.2426 -20.2554 -25.9686 -20.2554 -48.1531 -44.4784 -25.9686 -44.4783 -39.7397 GPRESSAVG: 2031200 66.0143 -21.3657 -26.6607 -19.3578 -47.3339 -45.8578 -25.7555 -41.1382 -40.3701 TIMING: 2031200 CPU: 5888.52, 0.00287406/step Wall: 5888.52, 0.00287406/step, 2.37014 hours remaining, 208.730469 MB of memory in use. ENERGY: 2031200 768.2884 2039.2304 1984.0233 119.8254 -206407.9405 17870.4810 0.0000 0.0000 34357.0966 -149268.9954 300.0491 -183626.0919 -149171.5078 299.3565 -113.0488 -80.3254 559476.9741 -7.2167 -7.2299 PRESSURE: 2031400 -178.936 96.3296 -16.3628 96.3292 28.3248 -72.8595 -16.3627 -72.8585 -264.692 GPRESSURE: 2031400 -172.812 113.034 -21.3011 17.8113 -9.54537 -67.65 -58.6196 -107.457 -142.759 PRESSAVG: 2031400 9.1133 -3.83148 -15.5118 -3.83138 -18.1755 -24.1524 -15.5118 -24.1524 6.54262 GPRESSAVG: 2031400 10.4707 -3.48359 -15.166 -5.97462 -18.4305 -23.9871 -16.5616 -25.8387 5.50599 TIMING: 2031400 CPU: 5889.1, 0.00287733/step Wall: 5889.1, 0.00287733/step, 2.37268 hours remaining, 208.730469 MB of memory in use. ENERGY: 2031400 748.1977 2091.2213 1961.8989 119.6288 -206126.6613 17727.4616 0.0000 0.0000 34323.7990 -149154.4538 299.7583 -183478.2529 -149057.2706 299.2932 -138.4342 -108.3723 559891.9725 -0.8399 -0.8179 PRESSURE: 2031600 -12.791 116.806 53.5985 116.806 -122.664 -57.7089 53.5982 -57.7099 -110.691 GPRESSURE: 2031600 43.9977 100.873 59.7682 100.23 -129.381 -72.4578 0.30706 -64.2887 -50.2131 PRESSAVG: 2031600 -41.8412 -12.5486 -20.4033 -12.5485 15.0004 -1.77933 -20.4034 -1.77939 6.63628 GPRESSAVG: 2031600 -43.6975 -12.8081 -21.198 -11.9081 16.1058 -1.38213 -20.1667 -1.7727 7.23765 TIMING: 2031600 CPU: 5889.67, 0.00287809/step Wall: 5889.67, 0.00287809/step, 2.37314 hours remaining, 208.730469 MB of memory in use. ENERGY: 2031600 729.2388 2105.6090 1970.8147 116.2913 -206075.5403 17748.7075 0.0000 0.0000 34201.2906 -149203.5883 298.6884 -183404.8789 -149098.4626 299.9198 -82.0486 -45.1989 558403.7998 -6.7349 -6.7847 PRESSURE: 2031800 -13.0599 73.4328 73.8257 73.4321 -122.465 119.062 73.8246 119.062 19.7788 GPRESSURE: 2031800 -16.6208 51.4208 -11.8801 92.8979 -51.4078 191.323 144.855 146.529 46.04 PRESSAVG: 2031800 -23.3588 18.7823 7.549 18.7822 20.1385 26.7143 7.54901 26.7144 -16.7472 GPRESSAVG: 2031800 -23.1283 18.2806 7.00618 19.5192 19.5684 25.7724 7.51128 27.1999 -16.8877 TIMING: 2031800 CPU: 5890.25, 0.00288318/step Wall: 5890.25, 0.00288318/step, 2.37718 hours remaining, 208.730469 MB of memory in use. ENERGY: 2031800 765.4008 2119.8207 1943.9527 109.2871 -205924.1605 17660.5744 0.0000 0.0000 34324.8009 -149000.3239 299.7670 -183325.1248 -148909.5876 300.2775 -38.5820 -7.3296 557221.9826 -6.6558 -6.8159 PRESSURE: 2032000 -56.1271 -111.547 -62.0955 -111.548 56.0299 -64.0989 -62.0948 -64.0996 -250.249 GPRESSURE: 2032000 -62.344 -80.2403 -41.9571 -58.0501 119.915 -31.2041 -83.1517 -33.6166 -217.019 PRESSAVG: 2032000 5.55463 -23.9994 -17.4061 -23.9994 -5.27043 -31.7912 -17.4061 -31.7911 32.5307 GPRESSAVG: 2032000 6.23921 -22.5711 -16.4191 -23.0338 -5.83673 -30.4545 -16.9563 -31.5823 31.7941 TIMING: 2032000 CPU: 5890.83, 0.0028853/step Wall: 5890.83, 0.0028853/step, 2.37877 hours remaining, 208.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2032000 750.1648 2075.2209 1921.3132 107.1466 -205852.4950 17730.8253 0.0000 0.0000 34299.8457 -148967.9785 299.5491 -183267.8243 -148871.3893 300.2650 -83.4488 -53.1492 559538.4738 10.9383 10.7322 PRESSURE: 2032200 -293.131 -40.8299 106.791 -40.8299 -193.213 -130.286 106.791 -130.287 181.952 GPRESSURE: 2032200 -212.118 -28.2013 69.6529 -20.6334 -153.848 -126.355 106.793 -108.73 163.568 PRESSAVG: 2032200 -10.4256 6.19475 26.5405 6.19484 47.671 -8.46042 26.5405 -8.46046 -33.4047 GPRESSAVG: 2032200 -10.0767 6.74517 29.5817 4.90779 47.3286 -8.05583 25.2782 -10.0344 -33.5069 TIMING: 2032200 CPU: 5891.4, 0.00286077/step Wall: 5891.4, 0.00286077/step, 2.35838 hours remaining, 208.730469 MB of memory in use. ENERGY: 2032200 746.7373 2081.7130 1942.4870 109.5660 -206037.4105 17713.3286 0.0000 0.0000 34389.7055 -149053.8731 300.3339 -183443.5786 -148961.1724 299.9257 -101.4639 -67.4660 558273.6752 1.2802 1.2484 LDB: ============= START OF LOAD BALANCING ============== 5894.79 LDB: ============== END OF LOAD BALANCING =============== 5894.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5894.79 LDB: ============= START OF LOAD BALANCING ============== 5895.08 LDB: Largest compute 4820 load 0.022056 is 18.7% of average load 0.117824 LDB: Average compute 0.001745 is 1.5% of average load 0.117824 LDB: TIME 5895.08 LOAD: AVG 0.117824 MAX 0.179654 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.535 MB LDB: TIME 5895.08 LOAD: AVG 0.117824 MAX 0.179654 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: TIME 5895.08 LOAD: AVG 0.117824 MAX 0.179654 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: ============== END OF LOAD BALANCING =============== 5895.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5895.09 PRESSURE: 2032400 99.2488 93.9441 27.411 93.9441 -20.3747 51.7817 27.4123 51.7814 -69.3043 GPRESSURE: 2032400 119.664 57.5976 -6.11041 117.564 40.6922 -60.4939 54.1671 31.6414 -46.8506 PRESSAVG: 2032400 8.2577 -13.3729 -47.6375 -13.3729 14.0894 -75.8959 -47.6375 -75.8959 3.58619 GPRESSAVG: 2032400 7.42042 -14.1994 -51.0701 -11.8534 15.2363 -76.2288 -45.7951 -74.653 2.89439 TIMING: 2032400 CPU: 5891.99, 0.00295869/step Wall: 5891.99, 0.00295869/step, 2.43895 hours remaining, 208.425781 MB of memory in use. ENERGY: 2032400 751.4361 2124.3148 1949.4753 101.1145 -206480.9784 18000.2481 0.0000 0.0000 34467.7053 -149086.6843 301.0150 -183554.3896 -149003.9939 299.9638 3.1899 37.8353 557913.8617 8.6444 8.5170 PRESSURE: 2032600 62.1882 137.297 -53.3317 137.296 -14.1339 -78.1062 -53.3317 -78.1051 -14.2778 GPRESSURE: 2032600 53.9025 126.027 -32.5394 70.2259 53.0096 26.9064 -15.4061 -136.399 13.6652 PRESSAVG: 2032600 39.6233 -73.6208 12.7454 -73.6208 -30.1956 6.09569 12.7454 6.09572 -5.93059 GPRESSAVG: 2032600 40.0763 -73.61 13.5438 -73.6436 -31.3053 7.59322 12.1034 5.73387 -5.0585 TIMING: 2032600 CPU: 5892.56, 0.00287021/step Wall: 5892.56, 0.00287021/step, 2.36585 hours remaining, 208.625000 MB of memory in use. ENERGY: 2032600 724.1355 2087.6680 1941.4943 107.2187 -206279.8408 17940.8820 0.0000 0.0000 34490.0611 -148988.3812 301.2103 -183478.4423 -148894.1499 300.6497 11.2588 40.1924 559251.5752 1.1657 1.2375 PRESSURE: 2032800 229.141 14.5376 95.204 14.5369 205.42 -140.963 95.2049 -140.965 28.1575 GPRESSURE: 2032800 266.69 -60.3591 163.091 34.9406 267.291 -12.7957 144.736 -127.051 13.6208 PRESSAVG: 2032800 10.9725 -43.5856 -16.4299 -43.5856 -75.0777 18.3857 -16.4299 18.3858 -4.42105 GPRESSAVG: 2032800 12.3269 -44.9694 -17.7192 -42.5101 -75.25 17.0781 -17.9304 19.3434 -5.66084 TIMING: 2032800 CPU: 5893.14, 0.0028791/step Wall: 5893.14, 0.0028791/step, 2.37302 hours remaining, 208.625000 MB of memory in use. ENERGY: 2032800 734.6322 2085.9072 1942.8233 107.0578 -206425.3526 18009.3371 0.0000 0.0000 34426.1976 -149119.3973 300.6525 -183545.5950 -149018.7504 299.9615 154.2398 182.5340 557182.4503 -22.8421 -22.8613 PRESSURE: 2033000 56.5489 -24.2393 -36.8477 -24.2381 -158.975 -7.8676 -36.8471 -7.86802 -79.2408 GPRESSURE: 2033000 97.8957 -45.4479 45.0934 69.4514 -152.921 -21.5144 -48.406 8.72932 -24.7707 PRESSAVG: 2033000 98.0601 22.2729 46.9657 22.2729 -54.1255 -43.4183 46.9658 -43.4183 -13.4114 GPRESSAVG: 2033000 94.9734 23.1888 48.3006 21.3167 -53.318 -42.551 47.3984 -45.4094 -11.1601 TIMING: 2033000 CPU: 5893.72, 0.00289834/step Wall: 5893.72, 0.00289834/step, 2.38871 hours remaining, 208.625000 MB of memory in use. ENERGY: 2033000 729.5678 2127.5547 1947.2837 113.5505 -206073.6992 17784.8154 0.0000 0.0000 34270.6589 -149100.2681 299.2942 -183370.9270 -149007.4319 299.6450 -60.5556 -26.5987 559041.5660 10.1744 10.1651 PRESSURE: 2033200 -24.3589 37.1896 -66.784 37.189 169.912 185.393 -66.7838 185.395 215.066 GPRESSURE: 2033200 2.30647 -111.681 -46.6647 88.2304 166.411 285.215 -124.403 173.911 288.92 PRESSAVG: 2033200 25.8267 33.4702 -34.3041 33.4703 -60.1023 -39.5853 -34.3041 -39.5853 11.4851 GPRESSAVG: 2033200 25.9146 31.8901 -36.2235 32.6822 -60.0142 -38.6403 -32.9615 -39.9566 11.2409 TIMING: 2033200 CPU: 5894.3, 0.00290492/step Wall: 5894.3, 0.00290492/step, 2.39398 hours remaining, 208.625000 MB of memory in use. ENERGY: 2033200 780.0655 2037.3163 1927.1215 124.2592 -206541.2997 18129.0237 0.0000 0.0000 34271.2567 -149272.2568 299.2994 -183543.5135 -149176.1520 299.6425 120.2065 152.5460 557374.2624 -7.5968 -7.6196 PRESSURE: 2033400 -45.163 -126.018 64.8567 -126.017 -269.949 68.9219 64.8566 68.9195 88.3134 GPRESSURE: 2033400 -16.5681 -176.309 126.077 -80.2897 -192.662 94.0214 91.9724 25.4516 92.7925 PRESSAVG: 2033400 21.9898 5.59276 -29.605 5.59271 -4.00137 -4.64051 -29.605 -4.64043 -18.5766 GPRESSAVG: 2033400 23.0475 7.18499 -28.194 5.69041 -3.13271 -6.65674 -30.0393 -3.08488 -20.2765 TIMING: 2033400 CPU: 5894.88, 0.00289841/step Wall: 5894.88, 0.00289841/step, 2.38845 hours remaining, 208.625000 MB of memory in use. ENERGY: 2033400 748.5359 2077.1740 1942.3816 113.8948 -206556.0184 18026.0323 0.0000 0.0000 34333.0550 -149314.9448 299.8391 -183647.9998 -149219.5997 298.9978 -75.5996 -38.8126 558579.3810 -0.1960 -0.1206 PRESSURE: 2033600 -18.253 -165.589 -143.315 -165.589 33.7567 275.373 -143.315 275.372 11.7202 GPRESSURE: 2033600 13.3295 -160.857 -186.19 -182.203 90.3 310.659 -90.9986 346.169 28.9011 PRESSAVG: 2033600 -6.16513 -3.93062 31.2738 -3.93057 -56.4266 42.8708 31.2737 42.8707 73.7255 GPRESSAVG: 2033600 -5.63973 -5.45581 30.9765 -2.68507 -57.4468 41.7822 31.7853 44.1438 74.2701 TIMING: 2033600 CPU: 5895.46, 0.00288174/step Wall: 5895.46, 0.00288174/step, 2.37455 hours remaining, 208.625000 MB of memory in use. ENERGY: 2033600 742.7092 2110.6443 1940.7335 105.6654 -206276.8203 17742.1975 0.0000 0.0000 34514.5293 -149120.3412 301.4240 -183634.8705 -149024.5454 299.7159 9.0747 44.1769 556951.1637 3.7113 3.7279 PRESSURE: 2033800 -29.6357 -69.7453 -44.5032 -69.745 -291.587 28.325 -44.5036 28.3251 124.481 GPRESSURE: 2033800 20.1926 8.95748 36.4947 -109.557 -262.852 27.6937 19.737 -22.9187 131.595 PRESSAVG: 2033800 19.6993 -16.219 67.6156 -16.219 11.5122 66.3602 67.6157 66.3602 -41.3379 GPRESSAVG: 2033800 18.8851 -15.8196 66.8004 -17.2103 12.8221 68.6285 69.2477 64.4897 -41.6598 TIMING: 2033800 CPU: 5896.03, 0.00288611/step Wall: 5896.03, 0.00288611/step, 2.37799 hours remaining, 208.625000 MB of memory in use. ENERGY: 2033800 769.4762 2101.3576 1933.3559 115.4924 -205760.1767 17606.6208 0.0000 0.0000 34146.9313 -149086.9426 298.2136 -183233.8739 -148989.5480 299.7473 -65.5806 -37.0213 558258.5483 -3.3755 -3.3175 PRESSURE: 2034000 56.9929 71.1524 217.633 71.153 38.7842 66.7227 217.633 66.7223 137.862 GPRESSURE: 2034000 96.9128 115.588 173.057 66.4467 94.4175 72.5712 258.917 43.259 141.727 PRESSAVG: 2034000 7.14559 -3.20616 -1.34479 -3.2062 -0.46585 -5.94508 -1.34484 -5.94519 -0.232624 GPRESSAVG: 2034000 6.70391 -2.14982 -1.2904 -3.9842 -0.237535 -8.01323 -3.65484 -5.24637 -0.000779975 TIMING: 2034000 CPU: 5896.61, 0.00290363/step Wall: 5896.61, 0.00290363/step, 2.39227 hours remaining, 208.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2034000 754.7255 2108.7631 1947.7739 120.9821 -206175.8223 17894.7567 0.0000 0.0000 34145.1939 -149203.6271 298.1985 -183348.8210 -149102.6979 299.4445 77.8798 111.0192 556220.2486 2.1490 2.1552 PRESSURE: 2034200 -59.7653 -177.728 80.5489 -177.728 -52.307 59.1772 80.5487 59.1769 104.908 GPRESSURE: 2034200 -37.3897 -122.651 54.7151 -138.749 -4.97956 90.8119 122.03 126.995 119.814 PRESSAVG: 2034200 4.01691 16.3038 33.7296 16.3038 23.6339 -0.777942 33.7296 -0.777879 -21.7968 GPRESSAVG: 2034200 4.56058 16.1893 35.2281 17.5984 22.8701 1.43013 33.9552 -2.24525 -21.7231 TIMING: 2034200 CPU: 5897.19, 0.00289742/step Wall: 5897.19, 0.00289742/step, 2.38699 hours remaining, 208.625000 MB of memory in use. ENERGY: 2034200 724.0274 2086.6692 1949.6219 116.8764 -206095.5246 17687.4688 0.0000 0.0000 34240.7162 -149290.1448 299.0327 -183530.8610 -149187.8465 298.4944 -2.3881 25.8151 556426.8586 1.9514 1.9025 PRESSURE: 2034400 15.9861 -13.723 -0.563511 -13.7251 -128.663 -33.6495 -0.564313 -33.6517 106.352 GPRESSURE: 2034400 22.1515 50.6918 -45.7736 -5.40884 -46.9297 -43.3855 2.15103 0.13102 109.583 PRESSAVG: 2034400 -27.8801 -14.3512 -14.363 -14.3513 -22.1553 -21.8287 -14.363 -21.8287 50.6467 GPRESSAVG: 2034400 -26.0041 -14.4954 -16.0181 -15.7468 -22.3841 -20.455 -12.3163 -19.0899 49.4244 TIMING: 2034400 CPU: 5897.77, 0.00289963/step Wall: 5897.77, 0.00289963/step, 2.38865 hours remaining, 208.867188 MB of memory in use. ENERGY: 2034400 719.3372 2105.4165 1979.3816 104.5831 -206101.4011 17726.2183 0.0000 0.0000 34084.4383 -149382.0259 297.6679 -183466.4643 -149280.4749 299.1979 -2.1081 28.2683 555884.2306 0.2038 0.3454 PRESSURE: 2034600 12.5122 -136.61 4.19273 -136.611 -226.926 114.953 4.19073 114.953 42.4002 GPRESSURE: 2034600 60.9484 -150.552 -26.7409 -141.875 -167.852 170.029 -36.4092 133.426 12.5729 PRESSAVG: 2034600 -5.2005 -33.3017 23.5396 -33.3017 0.245309 36.0556 23.5397 36.0557 2.79487 GPRESSAVG: 2034600 -6.94885 -32.5983 25.8091 -32.8522 1.14695 33.1605 21.3408 35.3733 3.75079 TIMING: 2034600 CPU: 5898.36, 0.00290754/step Wall: 5898.36, 0.00290754/step, 2.395 hours remaining, 208.867188 MB of memory in use. ENERGY: 2034600 768.8298 2117.0388 1930.5546 133.3289 -206476.0303 17862.2297 0.0000 0.0000 34286.6815 -149377.3670 299.4341 -183664.0485 -149276.0388 298.3133 -57.3380 -31.4437 556385.2232 -0.7201 -0.6837 PRESSURE: 2034800 103.913 111.79 -48.6725 111.79 -67.7797 -124.424 -48.6726 -124.423 155.809 GPRESSURE: 2034800 138.24 148.178 -19.9705 60.6369 -43.0748 -75.1859 13.1223 -83.6908 185.108 PRESSAVG: 2034800 -71.5943 16.5549 -26.4208 16.5549 60.2853 -68.437 -26.4207 -68.437 7.69759 GPRESSAVG: 2034800 -72.3241 15.8897 -27.9971 15.5549 60.1997 -68.2859 -25.5682 -67.0287 8.45288 TIMING: 2034800 CPU: 5898.93, 0.0028745/step Wall: 5898.93, 0.0028745/step, 2.36763 hours remaining, 208.867188 MB of memory in use. ENERGY: 2034800 732.9077 2133.8482 1965.2837 116.2490 -206431.5812 17867.5234 0.0000 0.0000 34294.3435 -149321.4257 299.5010 -183615.7693 -149222.3216 298.8957 63.9808 93.4244 556484.9185 -1.2038 -1.2239 PRESSURE: 2035000 -151.011 28.328 -183.686 28.3273 -6.69797 -228.806 -183.686 -228.805 -238.91 GPRESSURE: 2035000 -153.632 14.1313 -143.883 -7.94578 45.9618 -277.747 -157.191 -223.453 -198.911 PRESSAVG: 2035000 -61.2558 -1.01056 -68.4305 -1.01057 29.0656 4.03618 -68.4304 4.03621 -2.91142 GPRESSAVG: 2035000 -60.9903 -1.98084 -68.3306 -0.107247 29.622 7.44809 -69.9727 0.650413 -3.95771 TIMING: 2035000 CPU: 5899.51, 0.00291503/step Wall: 5899.51, 0.00291503/step, 2.40085 hours remaining, 208.867188 MB of memory in use. ENERGY: 2035000 766.9201 2082.9536 1979.7849 114.6645 -206349.8229 17729.7582 0.0000 0.0000 34246.4979 -149429.2437 299.0832 -183675.7416 -149332.9307 298.9679 -132.2064 -102.1937 558376.5700 -11.7005 -11.7753 PRESSURE: 2035200 -121.117 -19.3506 -120.317 -19.3503 167.988 98.2506 -120.317 98.2497 -23.2031 GPRESSURE: 2035200 -40.9186 -27.7498 -76.5501 49.797 200.218 81.6979 -163.679 29.9138 -46.6504 PRESSAVG: 2035200 -11.2374 -40.0633 -0.312216 -40.0633 10.097 -21.3438 -0.312286 -21.3437 -44.3837 GPRESSAVG: 2035200 -10.6863 -37.8008 -2.48625 -39.8206 8.4626 -23.2528 0.802653 -18.3572 -43.4875 TIMING: 2035200 CPU: 5900.09, 0.00289914/step Wall: 5900.09, 0.00289914/step, 2.38761 hours remaining, 208.867188 MB of memory in use. ENERGY: 2035200 704.2780 2116.0460 1954.4057 122.5163 -206124.3823 17747.6100 0.0000 0.0000 34221.6265 -149257.8998 298.8660 -183479.5263 -149164.7000 298.5413 7.8893 37.5496 558028.2977 -15.1747 -15.2371 PRESSURE: 2035400 -32.2242 -221.665 104.667 -221.665 282.227 -11.3507 104.668 -11.351 -61.4155 GPRESSURE: 2035400 -29.3766 -117.506 83.2106 -261.209 322.425 38.1362 209.878 -50.6962 -3.28425 PRESSAVG: 2035400 -11.5656 -13.2027 21.1003 -13.2028 58.7229 8.96069 21.1004 8.9607 -1.331 GPRESSAVG: 2035400 -11.6317 -15.3787 23.5422 -11.7993 58.8415 8.68331 20.4374 8.51828 -1.29865 TIMING: 2035400 CPU: 5900.67, 0.00288612/step Wall: 5900.67, 0.00288612/step, 2.37672 hours remaining, 208.867188 MB of memory in use. ENERGY: 2035400 751.4753 2104.8579 1931.8723 102.2470 -206625.5459 17998.0885 0.0000 0.0000 34237.1675 -149499.8374 299.0017 -183737.0048 -149401.9109 298.9766 62.8626 96.5880 556418.5326 15.2754 15.3037 PRESSURE: 2035600 0.578796 -75.334 -149.172 -75.3347 -17.9072 -133.803 -149.171 -133.804 -207.615 GPRESSURE: 2035600 21.5394 -132.622 -192.644 -63.586 33.9578 -104.069 -124.511 -61.7994 -180.833 PRESSAVG: 2035600 9.54379 -8.44262 -24.931 -8.44262 20.1556 2.25549 -24.9309 2.25555 -28.7356 GPRESSAVG: 2035600 10.8586 -8.55982 -26.1595 -7.35764 20.7855 4.61634 -25.163 1.44138 -29.6478 TIMING: 2035600 CPU: 5901.25, 0.00291594/step Wall: 5901.25, 0.00291594/step, 2.40112 hours remaining, 208.867188 MB of memory in use. ENERGY: 2035600 743.5390 2168.7497 1941.1316 106.5066 -206010.2399 17551.0208 0.0000 0.0000 34172.5597 -149326.7325 298.4375 -183499.2922 -149229.0925 298.1741 -74.9811 -41.7787 557698.3434 0.3213 0.6654 PRESSURE: 2035800 -129.736 -76.4382 -58.7042 -76.4389 -133.933 -92.7461 -58.7043 -92.745 -184.366 GPRESSURE: 2035800 -98.0107 -66.7451 -70.5834 -37.9692 -86.3001 -15.9244 -63.8102 -205.719 -164.729 PRESSAVG: 2035800 -8.29836 -50.733 -25.3143 -50.7331 -8.4407 -39.8461 -25.3144 -39.8462 -27.3818 GPRESSAVG: 2035800 -9.03472 -48.4637 -22.9223 -53.6065 -7.47534 -41.0253 -24.2682 -40.7473 -27.0328 TIMING: 2035800 CPU: 5901.83, 0.00290432/step Wall: 5901.83, 0.00290432/step, 2.39138 hours remaining, 208.867188 MB of memory in use. ENERGY: 2035800 733.1870 2101.0444 1932.7825 107.6750 -206085.2021 17704.8931 0.0000 0.0000 34150.0584 -149355.5617 298.2410 -183505.6201 -149254.1729 298.5106 -149.3449 -116.3467 559877.5604 -14.7070 -14.5143 PRESSURE: 2036000 190.513 77.2769 -51.8963 77.2774 214.08 76.3128 -51.8977 76.3139 15.387 GPRESSURE: 2036000 219.998 15.7253 -39.0948 134.348 221.691 92.3043 -81.6547 -0.940165 75.6587 PRESSAVG: 2036000 -3.29534 -18.3414 2.11469 -18.3414 -22.4169 12.9963 2.11459 12.9963 15.2986 GPRESSAVG: 2036000 -3.89483 -20.1981 -0.502208 -16.9659 -21.6822 12.4997 3.50476 14.0959 15.3747 TIMING: 2036000 CPU: 5902.42, 0.00290367/step Wall: 5902.42, 0.00290367/step, 2.39069 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2036000 739.8048 2083.6539 1926.0778 123.4344 -206733.1882 18241.6645 0.0000 0.0000 34239.4550 -149379.0977 299.0217 -183618.5527 -149284.7554 298.6516 139.9934 172.4491 560018.2415 -3.4712 -3.4008 PRESSURE: 2036200 258.01 192.519 -137.24 192.519 117.362 -46.3638 -137.24 -46.3637 -76.7235 GPRESSURE: 2036200 291.876 156.307 -131.299 239.072 100.894 -102.308 -91.4456 77.348 -9.48398 PRESSAVG: 2036200 6.29325 89.2574 19.1382 89.2573 -72.1647 -58.3232 19.1382 -58.3232 48.4044 GPRESSAVG: 2036200 8.14268 90.9322 19.6529 89.0294 -73.339 -58.1453 19.1832 -57.507 47.9462 TIMING: 2036200 CPU: 5902.99, 0.0028887/step Wall: 5902.99, 0.0028887/step, 2.37821 hours remaining, 208.867188 MB of memory in use. ENERGY: 2036200 709.7989 2103.4698 1940.3793 110.3744 -206182.0622 17840.3174 0.0000 0.0000 34289.7452 -149187.9772 299.4609 -183477.7224 -149098.7200 298.8498 99.5493 127.7623 559627.0181 -5.8223 -5.7500 LDB: ============= START OF LOAD BALANCING ============== 5906.38 LDB: ============== END OF LOAD BALANCING =============== 5906.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5906.38 LDB: ============= START OF LOAD BALANCING ============== 5906.67 LDB: Largest compute 4793 load 0.021535 is 18.3% of average load 0.117921 LDB: Average compute 0.001736 is 1.5% of average load 0.117921 LDB: TIME 5906.67 LOAD: AVG 0.117921 MAX 0.179223 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.961 MB LDB: TIME 5906.67 LOAD: AVG 0.117921 MAX 0.179223 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: TIME 5906.67 LOAD: AVG 0.117921 MAX 0.179223 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.961 MB LDB: ============== END OF LOAD BALANCING =============== 5906.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5906.68 PRESSURE: 2036400 123.87 231.362 35.5717 231.362 217.38 -47.0812 35.573 -47.0824 49.9782 GPRESSURE: 2036400 129.912 217.649 87.3051 291.047 219.088 -69.4397 -9.90909 -74.0055 137.698 PRESSAVG: 2036400 12.8764 52.1575 7.68914 52.1575 -0.931628 -14.6258 7.68914 -14.6259 -45.754 GPRESSAVG: 2036400 11.0512 53.2076 6.05521 51.5675 -0.371591 -15.5225 6.4997 -15.3555 -45.3188 TIMING: 2036400 CPU: 5903.58, 0.00294184/step Wall: 5903.58, 0.00294184/step, 2.42178 hours remaining, 210.144531 MB of memory in use. ENERGY: 2036400 749.8917 2076.9644 1944.2896 117.3261 -206238.9725 17976.7958 0.0000 0.0000 34279.7813 -149093.9236 299.3739 -183373.7049 -148994.6250 298.5687 130.4094 162.2326 558985.0608 -11.2697 -11.5464 PRESSURE: 2036600 -304.56 -35.0184 -3.63734 -35.0184 14.4465 2.54681 -3.63788 2.54734 -42.1356 GPRESSURE: 2036600 -265.255 -33.6356 -12.0859 -19.5872 48.9474 114.698 75.7768 -49.4906 -20.01 PRESSAVG: 2036600 -28.5698 36.2805 -7.06167 36.2805 38.7046 -33.2247 -7.06177 -33.2248 -16.695 GPRESSAVG: 2036600 -28.902 34.6487 -5.95328 35.7628 38.2964 -31.7018 -6.85052 -31.8878 -16.0483 TIMING: 2036600 CPU: 5904.16, 0.00291129/step Wall: 5904.16, 0.00291129/step, 2.39647 hours remaining, 210.527344 MB of memory in use. ENERGY: 2036600 731.7279 2108.5707 1957.5172 107.5174 -205722.8422 17688.4477 0.0000 0.0000 34216.4644 -148912.5970 298.8209 -183129.0613 -148816.8037 299.4426 -110.7496 -78.7725 558777.9848 -2.1867 -2.2180 PRESSURE: 2036800 -99.7795 34.1647 1.68972 34.1638 252.674 -132.569 1.68967 -132.57 143.487 GPRESSURE: 2036800 -26.1997 2.473 -99.9513 46.7711 273.753 -155.814 35.6054 -201.011 142.535 PRESSAVG: 2036800 82.3468 -7.35321 27.7645 -7.35324 -12.6146 14.5724 27.7644 14.5723 -27.8411 GPRESSAVG: 2036800 84.1074 -4.95417 26.6904 -6.67798 -12.6955 13.9123 28.3632 13.2575 -29.7404 TIMING: 2036800 CPU: 5904.74, 0.00288986/step Wall: 5904.74, 0.00288986/step, 2.37868 hours remaining, 210.527344 MB of memory in use. ENERGY: 2036800 740.3120 2138.2398 1920.4256 112.5779 -205916.2079 17986.2379 0.0000 0.0000 34068.5999 -148949.8147 297.5296 -183018.4147 -148856.5219 299.7087 98.7939 130.0294 559613.7933 13.9637 13.8905 PRESSURE: 2037000 -130.469 -120.35 -49.0217 -120.351 122.281 75.622 -49.0218 75.6209 22.5344 GPRESSURE: 2037000 -65.8503 -92.5716 -152.022 -64.8564 164.371 91.6116 21.804 -6.89719 13.567 PRESSAVG: 2037000 7.74655 9.74781 -4.02182 9.7478 24.4177 0.621424 -4.02181 0.62145 -33.0144 GPRESSAVG: 2037000 7.23783 9.81396 -1.71682 9.13715 24.3668 0.540017 -4.7815 0.643248 -32.1627 TIMING: 2037000 CPU: 5905.32, 0.00289279/step Wall: 5905.32, 0.00289279/step, 2.38093 hours remaining, 210.527344 MB of memory in use. ENERGY: 2037000 742.6150 2094.4482 1929.2528 102.8132 -206018.9757 17944.6235 0.0000 0.0000 34306.0674 -148899.1555 299.6034 -183205.2230 -148796.7020 299.8773 4.7822 37.3625 559061.9079 -0.2834 -0.1860 PRESSURE: 2037200 71.4564 77.0047 -78.3934 77.0037 16.3829 -3.278 -78.3927 -3.27878 -49.7503 GPRESSURE: 2037200 77.8538 33.4005 -101.07 -7.69238 47.3926 -46.6477 -95.1817 -50.8669 26.8164 PRESSAVG: 2037200 40.9559 -24.4747 48.7388 -24.4747 16.3017 -90.7663 48.7388 -90.7662 -63.0669 GPRESSAVG: 2037200 40.1032 -26.21 48.29 -24.37 15.8293 -88.5503 47.9798 -91.6367 -61.9773 TIMING: 2037200 CPU: 5905.91, 0.00293169/step Wall: 5905.91, 0.00293169/step, 2.41278 hours remaining, 210.527344 MB of memory in use. ENERGY: 2037200 732.0357 2057.3170 1938.7379 112.5421 -206085.3183 17943.2394 0.0000 0.0000 34307.9551 -148993.4911 299.6199 -183301.4462 -148889.3285 300.1341 12.6963 50.6876 558895.5099 -1.9364 -2.0149 PRESSURE: 2037400 -98.2614 -55.6355 191.081 -55.636 -117.592 202.842 191.082 202.843 -200.643 GPRESSURE: 2037400 -105.78 -113.304 209.109 1.53206 -47.1289 200.665 109.378 134.95 -178.169 PRESSAVG: 2037400 -17.7456 -23.0747 22.9807 -23.0748 -6.52864 -11.1866 22.9808 -11.1867 28.6498 GPRESSAVG: 2037400 -16.7351 -21.8778 22.2811 -23.0461 -6.65827 -13.2571 22.8088 -11.0638 27.8152 TIMING: 2037400 CPU: 5906.5, 0.00294437/step Wall: 5906.5, 0.00294437/step, 2.42305 hours remaining, 210.527344 MB of memory in use. ENERGY: 2037400 760.0580 2075.3100 1927.5613 112.8883 -206031.0907 17690.6460 0.0000 0.0000 34276.1033 -149188.5236 299.3417 -183464.6270 -149092.3619 299.8910 -138.8324 -110.3592 557720.3998 1.4585 1.4740 PRESSURE: 2037600 -45.4447 29.1947 -18.0189 29.1941 -316.037 -27.3257 -18.0182 -27.3248 -252.661 GPRESSURE: 2037600 -10.3091 69.4195 58.6004 72.2522 -259.697 -43.9261 -8.99297 10.0788 -244.307 PRESSAVG: 2037600 -84.3948 -8.72959 37.4117 -8.72954 54.9752 8.79526 37.4117 8.79522 48.4794 GPRESSAVG: 2037600 -84.6169 -9.54466 36.4123 -8.48707 55.2184 8.26559 39.7809 9.2404 48.934 TIMING: 2037600 CPU: 5907.07, 0.00289389/step Wall: 5907.07, 0.00289389/step, 2.38135 hours remaining, 210.527344 MB of memory in use. ENERGY: 2037600 776.4602 2037.6316 1953.7746 118.6401 -205863.9075 17504.0259 0.0000 0.0000 34291.1274 -149182.2477 299.4729 -183473.3752 -149087.5180 299.1319 -204.7143 -171.4378 557878.0616 6.3532 6.5118 PRESSURE: 2037800 245.544 33.7579 14.3332 33.7574 73.2614 -55.6215 14.3324 -55.6225 -144.537 GPRESSURE: 2037800 228.824 69.9416 -67.5972 -32.8175 111.711 -37.4689 27.3522 -28.7945 -69.3981 PRESSAVG: 2037800 7.72143 -5.0649 15.1691 -5.06495 26.4948 40.1718 15.1691 40.1719 -65.7305 GPRESSAVG: 2037800 6.26795 -6.22725 16.138 -4.65922 27.0666 40.57 13.7978 40.8672 -64.4967 TIMING: 2037800 CPU: 5907.66, 0.00291517/step Wall: 5907.66, 0.00291517/step, 2.3987 hours remaining, 210.527344 MB of memory in use. ENERGY: 2037800 759.6852 2096.2378 1967.7863 114.2341 -206342.6848 17967.5593 0.0000 0.0000 34397.5043 -149039.6779 300.4020 -183437.1821 -148941.1816 299.5463 58.0895 90.3790 557363.7554 -10.5047 -10.3874 PRESSURE: 2038000 119.913 -79.5809 80.0954 -79.5809 -57.2376 76.0954 80.0966 76.0973 -96.1215 GPRESSURE: 2038000 115.121 -120.006 116.947 -31.1547 -31.9924 -30.1106 25.1375 181.093 -9.33619 PRESSAVG: 2038000 6.78677 -42.895 64.2111 -42.895 -34.5203 2.4461 64.2112 2.44609 9.61191 GPRESSAVG: 2038000 7.60829 -43.2449 64.3704 -42.5428 -33.4907 1.15985 62.3261 2.21079 8.1297 TIMING: 2038000 CPU: 5908.24, 0.00290903/step Wall: 5908.24, 0.00290903/step, 2.39348 hours remaining, 210.527344 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: 2038000 744.8301 2050.1350 1941.1510 115.6617 -205920.4854 17800.1641 0.0000 0.0000 34301.2806 -148967.2629 299.5616 -183268.5435 -148863.4880 299.9701 -11.1488 24.5973 558429.6373 -6.0406 -5.9176 PRESSURE: 2038200 67.1369 176.715 116.016 176.714 55.566 85.1514 116.016 85.1515 -112.19 GPRESSURE: 2038200 127.524 155.427 53.1806 156.635 36.0661 80.9817 102.949 124.177 -63.4438 PRESSAVG: 2038200 39.7726 0.244998 13.5133 0.24505 -48.1486 -2.37839 13.5133 -2.37845 20.6087 GPRESSAVG: 2038200 40.7149 2.7675 12.8655 0.450249 -49.9154 -3.43878 15.8739 -0.517249 21.2311 TIMING: 2038200 CPU: 5908.82, 0.00291827/step Wall: 5908.82, 0.00291827/step, 2.40092 hours remaining, 210.527344 MB of memory in use. ENERGY: 2038200 799.6668 2079.8891 1944.0712 120.7295 -205909.7629 17839.1487 0.0000 0.0000 34218.7604 -148907.4973 298.8409 -183126.2577 -148810.7564 300.4039 3.5042 33.3820 556988.7220 4.0776 4.0102 PRESSURE: 2038400 70.5083 -78.7248 179.402 -78.7246 55.573 201.898 179.403 201.899 341.97 GPRESSURE: 2038400 110.539 -173.124 18.2295 -13.3099 47.9749 172.128 206.911 236.055 397.127 PRESSAVG: 2038400 41.4742 -25.7869 10.2034 -25.7869 -27.5478 11.2692 10.2034 11.2692 -14.549 GPRESSAVG: 2038400 41.0026 -27.4402 9.80894 -26.5213 -27.7435 13.5202 11.1178 10.0651 -14.2227 TIMING: 2038400 CPU: 5909.4, 0.00290654/step Wall: 5909.4, 0.00290654/step, 2.39112 hours remaining, 210.527344 MB of memory in use. ENERGY: 2038400 738.1320 2087.5697 1940.5345 109.7480 -206056.1792 18030.4438 0.0000 0.0000 34426.1099 -148723.6413 300.6518 -183149.7512 -148627.5464 300.4694 156.0170 185.2137 557547.4941 -0.2075 -0.3212 PRESSURE: 2038600 -302.495 35.7167 41.484 35.7176 -289.449 -101.876 41.4844 -101.876 -432.913 GPRESSURE: 2038600 -287.451 33.1674 103.575 48.1715 -259.224 -74.0986 -19.2801 -123.041 -373.968 PRESSAVG: 2038600 -7.58518 10.9885 35.0932 10.9884 -31.618 7.62042 35.0932 7.62035 41.8223 GPRESSAVG: 2038600 -8.42947 9.79371 36.4735 11.1416 -31.7086 6.7758 34.1235 7.71469 43.119 TIMING: 2038600 CPU: 5909.98, 0.0028886/step Wall: 5909.98, 0.0028886/step, 2.37619 hours remaining, 210.527344 MB of memory in use. ENERGY: 2038600 780.6905 2070.2680 1950.3670 114.5546 -205498.4284 17336.8316 0.0000 0.0000 34403.2896 -148842.4271 300.4525 -183245.7167 -148744.6794 300.2971 -341.6189 -306.8812 559160.8427 0.8730 0.9937 PRESSURE: 2038800 -154.237 2.31898 -154.869 2.31876 -321.234 117.697 -154.868 117.695 -557.567 GPRESSURE: 2038800 -162.945 25.7719 -80.8628 2.56209 -296.474 194.454 -225.117 108.94 -489.499 PRESSAVG: 2038800 3.37586 20.3305 -25.9558 20.3305 19.9049 5.88999 -25.9558 5.88997 -45.1132 GPRESSAVG: 2038800 3.37712 19.8963 -25.2229 19.8023 21.2009 6.74455 -26.8856 3.10761 -46.5266 TIMING: 2038800 CPU: 5910.56, 0.00289853/step Wall: 5910.56, 0.00289853/step, 2.3842 hours remaining, 210.527344 MB of memory in use. ENERGY: 2038800 760.9445 2063.4310 1970.6099 118.6065 -205619.8878 17346.9962 0.0000 0.0000 34530.8905 -148828.4092 301.5669 -183359.2997 -148730.0519 300.7933 -344.3461 -316.3060 559837.7231 -7.2775 -7.3162 PRESSURE: 2039000 -211.909 -246.492 -2.45839 -246.492 -177.288 -150.006 -2.45848 -150.008 -229.885 GPRESSURE: 2039000 -127.105 -157.727 -14.7271 -229.755 -173.797 -62.6524 -28.6069 -166.882 -222.336 PRESSAVG: 2039000 -7.57381 -25.0649 -27.6147 -25.0649 14.4047 21.4754 -27.6147 21.4754 57.8557 GPRESSAVG: 2039000 -6.63226 -23.6451 -27.0549 -22.5205 13.0121 23.0147 -26.9446 22.2831 58.1036 TIMING: 2039000 CPU: 5911.14, 0.00287606/step Wall: 5911.14, 0.00287606/step, 2.36556 hours remaining, 210.527344 MB of memory in use. ENERGY: 2039000 750.3521 2027.0345 1927.4195 110.8288 -205583.5451 17555.2011 0.0000 0.0000 34425.5895 -148787.1196 300.6472 -183212.7091 -148695.2607 300.7091 -206.3606 -174.4127 558824.5197 21.5622 21.4945 PRESSURE: 2039200 293.687 -78.5662 -32.8234 -78.5665 -7.07385 98.5163 -32.8235 98.517 -106.976 GPRESSURE: 2039200 280.912 30.3258 -63.6485 -82.0268 104.82 10.2813 -65.9224 139.503 -111.035 PRESSAVG: 2039200 24.1689 -63.9178 -31.0754 -63.9178 1.06181 -0.00157304 -31.0754 -0.00157126 -23.0649 GPRESSAVG: 2039200 22.0848 -63.3995 -34.8179 -65.9332 1.98657 -2.34529 -28.8712 1.23751 -21.8877 TIMING: 2039200 CPU: 5911.71, 0.00288053/step Wall: 5911.71, 0.00288053/step, 2.36908 hours remaining, 210.527344 MB of memory in use. ENERGY: 2039200 702.0457 2065.9802 1937.7412 112.4900 -205897.1495 17816.6107 0.0000 0.0000 34420.5867 -148841.6950 300.6035 -183262.2817 -148748.3664 300.4903 59.8792 91.5655 558211.5094 0.7219 0.7279 PRESSURE: 2039400 -63.076 152.149 -130.526 152.149 -105.846 202.296 -130.525 202.298 25.9014 GPRESSURE: 2039400 -61.7508 115.828 -176.709 198.467 -120.45 147.255 -37.5336 126.839 136.221 PRESSAVG: 2039400 -21.1 50.9499 23.3783 50.9499 2.00028 19.0076 23.3783 19.0076 41.8376 GPRESSAVG: 2039400 -20.1609 49.6204 24.7426 50.137 1.8562 18.5238 21.9263 19.4638 40.7142 TIMING: 2039400 CPU: 5912.29, 0.0028817/step Wall: 5912.29, 0.0028817/step, 2.36988 hours remaining, 210.527344 MB of memory in use. ENERGY: 2039400 730.9802 2054.8708 1927.4712 109.6212 -206069.2960 17786.9768 0.0000 0.0000 34653.7368 -148805.6390 302.6397 -183459.3758 -148703.4068 300.8734 -47.6734 -15.3268 560110.7551 7.5793 7.4698 PRESSURE: 2039600 -146.089 22.0212 -4.17879 22.0203 -119.348 -66.3959 -4.17864 -66.395 -11.1143 GPRESSURE: 2039600 -161.374 68.4576 89.3635 71.3026 -85.8835 -5.52061 -37.4666 -65.0578 58.7469 PRESSAVG: 2039600 -56.2258 -37.2668 -36.1825 -37.2669 68.9215 65.7206 -36.1825 65.7206 -20.9054 GPRESSAVG: 2039600 -55.953 -36.5627 -34.0349 -36.1988 68.1745 65.8276 -35.5153 67.1063 -20.7264 TIMING: 2039600 CPU: 5912.87, 0.00288174/step Wall: 5912.87, 0.00288174/step, 2.36975 hours remaining, 210.527344 MB of memory in use. ENERGY: 2039600 769.2569 2038.5178 1913.8906 121.8615 -206155.9974 17970.2408 0.0000 0.0000 34452.8182 -148889.4116 300.8850 -183342.2298 -148798.3396 300.4923 -92.1836 -62.8368 559639.8821 -2.7365 -2.8349 PRESSURE: 2039800 -15.8725 57.6926 43.3454 57.6927 173.499 -138.328 43.346 -138.328 -173.917 GPRESSURE: 2039800 38.1725 157.269 54.1958 -97.544 155.001 -218.961 -14.3675 -2.13674 -118.666 PRESSAVG: 2039800 -62.525 -32.843 -24.19 -32.8431 30.9158 7.26197 -24.19 7.2619 -6.11782 GPRESSAVG: 2039800 -62.5033 -33.2101 -27.031 -34.1082 31.5651 6.7278 -24.493 6.78972 -5.9496 TIMING: 2039800 CPU: 5913.44, 0.00287854/step Wall: 5913.44, 0.00287854/step, 2.36696 hours remaining, 210.527344 MB of memory in use. ENERGY: 2039800 739.1922 2067.7733 1937.0290 126.4848 -206258.6254 17946.5794 0.0000 0.0000 34461.5388 -148980.0279 300.9612 -183441.5667 -148877.7599 300.1162 -5.4300 24.8358 559268.4482 -12.5757 -12.2959 PRESSURE: 2040000 -52.9743 -4.68406 -22.3678 -4.68354 186.119 -17.6905 -22.3664 -17.6905 166.482 GPRESSURE: 2040000 -14.6356 -30.4744 87.9379 29.3544 209.258 -62.051 -43.9641 10.0943 189.873 PRESSAVG: 2040000 -53.745 -8.75219 -4.97647 -8.75227 57.7215 -35.5954 -4.97653 -35.5953 -10.3653 GPRESSAVG: 2040000 -53.8312 -8.39781 -3.18866 -8.02401 56.9919 -35.5779 -4.55928 -34.9904 -9.84277 TIMING: 2040000 CPU: 5914.02, 0.00289519/step Wall: 5914.02, 0.00289519/step, 2.38049 hours remaining, 210.527344 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: 2040000 723.5374 2093.7131 1958.5684 115.1467 -206408.5363 18007.5199 0.0000 0.0000 34292.6981 -149217.3527 299.4867 -183510.0508 -149124.2136 299.6754 99.8755 128.1652 557440.6431 -2.1296 -2.2274 PRESSURE: 2040200 -285.593 8.85941 103.346 8.85934 -183.266 -106.474 103.345 -106.472 -168.962 GPRESSURE: 2040200 -226.633 -77.5198 110.278 43.6885 -96.5368 -223.432 155.014 -72.8289 -219.652 PRESSAVG: 2040200 -36.9137 19.223 4.72177 19.223 18.026 28.3971 4.72176 28.3972 32.3823 GPRESSAVG: 2040200 -36.0119 18.5082 6.82172 21.3894 18.4818 27.5573 2.58249 25.7365 30.8002 TIMING: 2040200 CPU: 5914.6, 0.00288497/step Wall: 5914.6, 0.00288497/step, 2.37193 hours remaining, 210.527344 MB of memory in use. ENERGY: 2040200 714.0945 2100.8446 1964.2548 108.8845 -205745.0039 17591.8526 0.0000 0.0000 34191.7749 -149073.2980 298.6053 -183265.0729 -148978.3032 299.0467 -212.6069 -180.9408 560286.1569 4.4982 4.4234 LDB: ============= START OF LOAD BALANCING ============== 5917.98 LDB: ============== END OF LOAD BALANCING =============== 5917.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5917.98 LDB: ============= START OF LOAD BALANCING ============== 5918.27 LDB: Largest compute 4792 load 0.022339 is 19.0% of average load 0.117870 LDB: Average compute 0.001746 is 1.5% of average load 0.117870 LDB: TIME 5918.27 LOAD: AVG 0.11787 MAX 0.18053 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.34 MB LDB: TIME 5918.27 LOAD: AVG 0.11787 MAX 0.18053 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.539 MB LDB: TIME 5918.27 LOAD: AVG 0.11787 MAX 0.18053 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.539 MB LDB: ============== END OF LOAD BALANCING =============== 5918.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5918.28 PRESSURE: 2040400 -212.993 -215.842 -136.448 -215.842 118.202 177.86 -136.449 177.859 170.885 GPRESSURE: 2040400 -200.753 -218.814 -126.118 -178.29 206.49 65.6382 -173.959 218.717 146.707 PRESSAVG: 2040400 -83.6749 -42.3427 33.3069 -42.3428 -17.993 2.82883 33.3069 2.82884 85.5665 GPRESSAVG: 2040400 -84.9679 -41.7864 28.9309 -45.2267 -17.9736 4.11419 35.9803 1.34487 87.2036 TIMING: 2040400 CPU: 5915.18, 0.00293458/step Wall: 5915.18, 0.00293458/step, 2.41255 hours remaining, 208.613281 MB of memory in use. ENERGY: 2040400 710.2256 2102.7279 1940.3351 119.1402 -206337.0649 17878.1810 0.0000 0.0000 34530.1316 -149056.3233 301.5602 -183586.4550 -148959.2210 299.8428 25.3650 50.8151 557929.9260 -5.3671 -5.2460 PRESSURE: 2040600 270.632 -38.2361 45.8784 -38.2362 -1.29505 -72.0188 45.8784 -72.0191 128.341 GPRESSURE: 2040600 283.815 -45.1901 65.7955 -51.2395 25.4351 15.6415 10.5547 -156.849 191.173 PRESSAVG: 2040600 53.0368 6.2849 -14.7454 6.28477 -32.0003 26.8154 -14.7455 26.8155 41.5357 GPRESSAVG: 2040600 54.4629 5.83345 -12.1978 7.12401 -32.7766 26.2911 -14.3756 28.0935 41.3415 TIMING: 2040600 CPU: 5915.77, 0.0029051/step Wall: 5915.77, 0.0029051/step, 2.38815 hours remaining, 208.613281 MB of memory in use. ENERGY: 2040600 757.1089 2057.1680 1924.2543 109.5812 -206190.3820 18003.6738 0.0000 0.0000 34429.8036 -148908.7922 300.6840 -183338.5958 -148812.5955 300.3046 132.5595 166.8077 556306.8620 20.8574 21.0093 PRESSURE: 2040800 80.8697 59.5119 42.304 59.5116 -10.1105 80.1002 42.3042 80.1009 -237.239 GPRESSURE: 2040800 61.8652 76.8895 -15.4302 -39.1487 65.9461 141.163 81.9747 55.7157 -197.791 PRESSAVG: 2040800 59.5035 -1.72708 -8.60793 -1.72708 -18.5084 41.5584 -8.60799 41.5584 7.07395 GPRESSAVG: 2040800 59.0425 -0.632858 -9.5413 -1.73608 -18.261 42.0196 -10.3118 41.7667 7.47017 TIMING: 2040800 CPU: 5916.35, 0.00290464/step Wall: 5916.35, 0.00290464/step, 2.38762 hours remaining, 208.613281 MB of memory in use. ENERGY: 2040800 739.8899 2028.1726 1938.2462 118.4085 -205758.1854 17747.0932 0.0000 0.0000 34153.9892 -149032.3858 298.2753 -183186.3750 -148933.5142 300.0526 -55.4932 -23.3267 558949.7412 16.0230 16.0839 PRESSURE: 2041000 -94.5672 47.9493 32.0113 47.9489 -245.875 -216.481 32.0119 -216.479 -161.949 GPRESSURE: 2041000 -128.802 42.3345 9.09319 79.461 -183.52 -204.414 -29.0707 -129.345 -85.5769 PRESSAVG: 2041000 13.7114 -5.11348 6.24216 -5.11355 -3.86365 -38.3082 6.24214 -38.3082 -62.5752 GPRESSAVG: 2041000 14.0234 -6.09197 4.71752 -6.37925 -3.45251 -37.5629 6.16242 -37.3607 -63.6811 TIMING: 2041000 CPU: 5916.92, 0.00287378/step Wall: 5916.92, 0.00287378/step, 2.36209 hours remaining, 208.613281 MB of memory in use. ENERGY: 2041000 749.9319 2090.0416 1929.8481 113.3600 -205545.3129 17568.7278 0.0000 0.0000 34338.9211 -148754.4825 299.8903 -183093.4036 -148658.4397 299.9655 -167.4639 -132.6331 558471.0131 -17.5758 -17.7034 PRESSURE: 2041200 267.673 -10.4745 -63.2665 -10.4751 48.5593 29.9401 -63.2663 29.9398 318.171 GPRESSURE: 2041200 334.921 -17.4005 -99.0497 3.05818 126.616 10.2357 -103.433 31.8006 279.459 PRESSAVG: 2041200 34.9841 29.4884 10.923 29.4885 1.70912 -46.8222 10.9231 -46.8221 0.215472 GPRESSAVG: 2041200 34.3112 29.8388 13.036 29.6336 1.84469 -48.8046 12.5324 -46.8714 1.30887 TIMING: 2041200 CPU: 5917.5, 0.00288752/step Wall: 5917.5, 0.00288752/step, 2.37322 hours remaining, 208.613281 MB of memory in use. ENERGY: 2041200 755.5410 2104.5984 1919.5872 118.9391 -206282.9773 18066.8355 0.0000 0.0000 34320.9984 -148996.4777 299.7338 -183317.4761 -148899.3224 300.1428 211.4677 246.9988 556395.0572 12.3029 12.4882 PRESSURE: 2041400 -201.909 67.5108 213.038 67.5106 -14.3676 8.95556 213.038 8.95454 -46.2928 GPRESSURE: 2041400 -194.007 92.5306 150.259 0.913544 -11.9518 73.5237 238.993 38.5432 47.335 PRESSAVG: 2041400 72.9472 -7.17726 48.546 -7.17723 -22.6918 52.2673 48.546 52.2672 -58.1725 GPRESSAVG: 2041400 72.8881 -6.74051 45.8276 -7.36819 -22.013 54.049 46.8072 52.6133 -58.9768 TIMING: 2041400 CPU: 5918.08, 0.00289122/step Wall: 5918.08, 0.00289122/step, 2.3761 hours remaining, 208.613281 MB of memory in use. ENERGY: 2041400 728.4591 2088.1839 1923.4398 120.8761 -205931.8852 17646.0889 0.0000 0.0000 34357.0094 -149067.8281 300.0483 -183424.8374 -148965.0238 299.7304 -87.5232 -52.8745 558383.4538 -2.6390 -2.7006 PRESSURE: 2041600 61.0331 -13.2823 -332.304 -13.2823 144.724 -7.57179 -332.305 -7.57186 269.661 GPRESSURE: 2041600 75.7603 -7.22272 -375.439 24.3854 206.365 -62.8621 -261.328 -19.2615 297.953 PRESSAVG: 2041600 61.7712 33.0319 -21.5522 33.0319 15.4421 2.73627 -21.5522 2.73628 -45.2909 GPRESSAVG: 2041600 61.8632 32.4592 -19.7333 34.1266 14.2263 2.71298 -19.9549 1.66522 -44.7252 TIMING: 2041600 CPU: 5918.66, 0.00289605/step Wall: 5918.66, 0.00289605/step, 2.37991 hours remaining, 208.613281 MB of memory in use. ENERGY: 2041600 735.1620 2086.3738 1932.9100 123.4846 -206100.6231 17936.9943 0.0000 0.0000 34298.0750 -148987.6234 299.5336 -183285.6984 -148890.6099 299.6627 158.4726 193.3594 557334.6299 10.6408 10.4548 PRESSURE: 2041800 110.798 -26.5421 21.5557 -26.5419 -18.6394 -74.2592 21.5544 -74.261 -192.811 GPRESSURE: 2041800 175.869 -146.859 26.1637 -11.6066 -31.5338 -52.1915 42.1827 -31.9728 -134.867 PRESSAVG: 2041800 35.0783 -59.4022 20.2334 -59.4023 -4.53872 -18.4441 20.2333 -18.4441 -41.3135 GPRESSAVG: 2041800 34.7845 -58.2309 19.9973 -60.836 -4.52368 -19.4583 20.4842 -17.8039 -41.4392 TIMING: 2041800 CPU: 5919.24, 0.00289872/step Wall: 5919.24, 0.00289872/step, 2.38194 hours remaining, 208.613281 MB of memory in use. ENERGY: 2041800 716.0667 2086.6303 1937.1567 101.0229 -205879.3358 17700.8727 0.0000 0.0000 34236.1376 -149101.4489 298.9927 -183337.5865 -149008.5883 299.8643 -33.5506 3.1561 558885.5601 -3.5913 -3.7261 PRESSURE: 2042000 -153.813 -20.8726 -144.591 -20.8737 56.0034 82.4655 -144.591 82.4655 -83.5594 GPRESSURE: 2042000 -89.1993 -55.9936 -118.091 -22.0251 61.1716 -6.82595 -133.674 202.577 -59.2685 PRESSAVG: 2042000 31.3381 47.3998 0.312025 47.3997 26.462 14.3741 0.311968 14.3741 -49.8815 GPRESSAVG: 2042000 31.0573 48.8992 -0.494209 47.5959 27.4867 12.4127 1.86496 16.7821 -50.9595 TIMING: 2042000 CPU: 5919.82, 0.00289723/step Wall: 5919.82, 0.00289723/step, 2.38056 hours remaining, 208.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2042000 763.3336 2034.6300 1970.8811 119.1281 -205921.0383 17820.0481 0.0000 0.0000 34031.0662 -149181.9511 297.2018 -183213.0173 -149087.9183 299.4337 -60.4565 -29.0988 559096.9175 2.6395 2.5282 PRESSURE: 2042200 -160.846 76.3576 -220.695 76.3566 41.702 54.884 -220.695 54.883 106.215 GPRESSURE: 2042200 -88.4587 6.00806 -165.027 154.81 -5.96001 75.4267 -209.151 14.4063 170.149 PRESSAVG: 2042200 13.9534 6.49361 -37.1056 6.49362 1.29003 -12.1172 -37.1056 -12.1172 29.1194 GPRESSAVG: 2042200 14.1164 3.77923 -36.6305 6.22515 1.59486 -11.4726 -39.1512 -14.9296 28.9712 TIMING: 2042200 CPU: 5920.4, 0.00292215/step Wall: 5920.4, 0.00292215/step, 2.40087 hours remaining, 208.613281 MB of memory in use. ENERGY: 2042200 734.4597 2131.0349 1935.6380 116.4365 -205977.4926 17702.2981 0.0000 0.0000 34118.7234 -149238.9019 297.9673 -183357.6253 -149146.4389 299.3831 -4.3096 25.2433 557823.6050 14.7876 14.8942 PRESSURE: 2042400 -150.277 184.301 -166.708 184.302 -118.144 -86.5588 -166.707 -86.5591 -88.8878 GPRESSURE: 2042400 -72.5999 138.578 -144.566 192.811 -132.825 -58.134 -189.518 -146.246 -55.6271 PRESSAVG: 2042400 -43.7772 25.9973 -19.2714 25.9973 -12.4151 -3.70852 -19.2714 -3.70841 46.4519 GPRESSAVG: 2042400 -42.3204 27.2017 -19.1299 27.8248 -14.1221 -1.06414 -19.062 -4.02593 46.1061 TIMING: 2042400 CPU: 5920.98, 0.00289254/step Wall: 5920.98, 0.00289254/step, 2.37638 hours remaining, 208.613281 MB of memory in use. ENERGY: 2042400 753.7013 2095.0173 1953.8470 117.4951 -206116.0664 17714.0456 0.0000 0.0000 34158.3280 -149323.6323 298.3132 -183481.9602 -149228.8217 298.7561 -119.1029 -87.0174 558129.7767 -3.2468 -3.4455 PRESSURE: 2042600 -380.024 51.9992 -108.306 52 -119.737 -32.1857 -108.305 -32.185 -100.363 GPRESSURE: 2042600 -326.727 -3.11922 -39.894 88.2133 -101.598 -3.96812 -131.593 -70.5243 -77.5549 PRESSAVG: 2042600 -19.2879 42.2897 12.9587 42.2895 -1.29752 12.0072 12.9588 12.0072 -40.5194 GPRESSAVG: 2042600 -20.4323 40.4989 15.0142 41.9804 -0.801547 11.6811 10.5258 11.7196 -39.6643 TIMING: 2042600 CPU: 5921.56, 0.00293115/step Wall: 5921.56, 0.00293115/step, 2.40794 hours remaining, 208.613281 MB of memory in use. ENERGY: 2042600 751.0640 2113.5818 1934.3581 132.6479 -205749.8188 17482.7399 0.0000 0.0000 33922.1542 -149413.2728 296.2506 -183335.4270 -149316.0328 299.0427 -200.0413 -168.6267 559575.5177 -20.3683 -20.2994 PRESSURE: 2042800 155.526 61.9769 122.226 61.9779 203.249 92.3632 122.227 92.3629 -113.94 GPRESSURE: 2042800 178.805 30.2711 85.4937 6.94642 265.081 47.3015 87.634 164.477 -113.642 PRESSAVG: 2042800 -31.357 61.6921 -37.3569 61.692 36.7651 -3.36237 -37.3568 -3.36233 4.23253 GPRESSAVG: 2042800 -30.672 62.5556 -40.882 62.1737 36.5319 -4.26284 -35.8615 -4.10423 3.82769 TIMING: 2042800 CPU: 5922.15, 0.00290754/step Wall: 5922.15, 0.00290754/step, 2.38838 hours remaining, 208.613281 MB of memory in use. ENERGY: 2042800 751.1410 2147.9082 1941.6783 117.8346 -206434.4109 17879.0213 0.0000 0.0000 34295.2788 -149301.5487 299.5092 -183596.8275 -149202.5740 298.5846 81.6116 110.0812 557485.1087 3.2135 3.2292 PRESSURE: 2043000 -216.657 58.8639 -40.6931 58.8642 -65.383 54.6554 -40.6925 54.6571 51.1768 GPRESSURE: 2043000 -133.267 29.8944 -19.62 165.393 -84.712 21.3769 -108.533 50.6436 63.8186 PRESSAVG: 2043000 -41.257 6.41534 -49.8523 6.41538 -12.5937 0.324168 -49.8524 0.324191 47.8884 GPRESSAVG: 2043000 -42.0061 7.04262 -48.5219 6.0441 -12.962 0.758689 -48.5588 -0.788363 48.2195 TIMING: 2043000 CPU: 5922.73, 0.00290804/step Wall: 5922.73, 0.00290804/step, 2.38863 hours remaining, 208.613281 MB of memory in use. ENERGY: 2043000 788.7975 2117.4152 1968.9044 113.4215 -206101.4680 17745.6984 0.0000 0.0000 34079.2464 -149287.9845 297.6225 -183367.2309 -149186.2222 299.6830 -76.9543 -51.3869 558120.8337 -1.9874 -2.2495 PRESSURE: 2043200 171.182 -11.7465 179.237 -11.7463 179.147 -30.4723 179.237 -30.4725 224.673 GPRESSURE: 2043200 212.496 4.96898 129.654 4.60581 244.219 -119.645 237.693 27.4403 215.765 PRESSAVG: 2043200 -16.8885 27.684 14.7299 27.6839 -39.0806 5.31008 14.7298 5.31024 46.5786 GPRESSAVG: 2043200 -17.2247 27.5393 14.1826 26.1385 -38.1909 5.44529 13.6874 7.26148 46.0864 TIMING: 2043200 CPU: 5923.31, 0.0029006/step Wall: 5923.31, 0.0029006/step, 2.38236 hours remaining, 208.613281 MB of memory in use. ENERGY: 2043200 734.3971 2099.2481 1955.7411 124.0537 -206657.3629 18016.7737 0.0000 0.0000 34433.3832 -149293.7660 300.7153 -183727.1492 -149187.9415 299.3505 191.6671 224.1602 555904.8639 -3.1302 -3.1097 PRESSURE: 2043400 -73.5218 17.0786 -68.068 17.0786 -82.3718 -15.9914 -68.0673 -15.9908 -2.66556 GPRESSURE: 2043400 -58.9856 -34.8502 -193.235 17.7577 -68.3879 -16.8551 -27.323 -5.69765 71.4811 PRESSAVG: 2043400 3.6625 -11.3541 51.669 -11.354 -33.4259 -36.795 51.6691 -36.795 90.6905 GPRESSAVG: 2043400 5.044 -10.9709 52.1029 -10.714 -34.9451 -35.5022 52.5822 -36.3991 91.2129 TIMING: 2043400 CPU: 5923.89, 0.00290885/step Wall: 5923.89, 0.00290885/step, 2.38897 hours remaining, 208.613281 MB of memory in use. ENERGY: 2043400 754.7296 2145.1590 1949.4688 106.9976 -206249.8050 17693.4186 0.0000 0.0000 34324.0595 -149275.9719 299.7605 -183600.0314 -149176.1427 299.5741 -52.8531 -18.6308 556225.3994 20.3090 20.4373 PRESSURE: 2043600 -415.937 -42.1358 -9.004 -42.1352 109.932 44.1575 -9.00427 44.1581 -199.365 GPRESSURE: 2043600 -347.885 -16.6879 2.46962 -68.4579 121.957 -17.9022 10.6619 142.138 -189.821 PRESSAVG: 2043600 48.3162 -5.19362 36.4289 -5.19352 -8.71128 -35.6452 36.429 -35.645 1.90532 GPRESSAVG: 2043600 45.8795 -5.13377 36.1444 -3.09034 -6.6983 -37.6273 37.0803 -34.9751 2.30931 TIMING: 2043600 CPU: 5924.47, 0.00290399/step Wall: 5924.47, 0.00290399/step, 2.38482 hours remaining, 208.613281 MB of memory in use. ENERGY: 2043600 761.8545 2114.4978 1950.1503 104.6561 -205848.2060 17518.6798 0.0000 0.0000 34158.4000 -149239.9675 298.3138 -183398.3675 -149141.3119 299.1429 -168.4564 -138.5827 558831.1847 13.8367 13.8302 PRESSURE: 2043800 134.294 -7.95193 4.62092 -7.9518 -352.961 44.5917 4.6202 44.5906 -291.634 GPRESSURE: 2043800 136.016 17.6338 18.0973 -40.0362 -344.603 47.1171 -56.3695 -22.4891 -218.433 PRESSAVG: 2043800 19.6966 43.098 29.4834 43.0981 30.6169 28.3298 29.4832 28.3298 -24.658 GPRESSAVG: 2043800 19.6584 42.8468 29.3245 41.9855 30.5795 27.8502 28.0024 27.2283 -24.1101 TIMING: 2043800 CPU: 5925.05, 0.00290717/step Wall: 5925.05, 0.00290717/step, 2.38727 hours remaining, 208.812500 MB of memory in use. ENERGY: 2043800 747.8993 2100.0528 1925.4562 110.2778 -205959.4182 17579.5291 0.0000 0.0000 34357.4821 -149138.7209 300.0524 -183496.2030 -149038.2288 300.0741 -170.1004 -142.3397 557994.9157 8.5518 8.7093 PRESSURE: 2044000 23.1044 -107.443 -30.5203 -107.441 -207.473 184.153 -30.521 184.154 -32.5314 GPRESSURE: 2044000 25.0462 -134.713 -45.8978 -96.5568 -171.421 160.007 64.0545 158.572 27.1013 PRESSAVG: 2044000 -4.94984 -22.0857 -72.7861 -22.0857 62.8289 18.7927 -72.7861 18.7927 -6.13822 GPRESSAVG: 2044000 -4.86353 -23.0163 -71.828 -22.6205 62.6858 18.4036 -72.5282 22.0091 -5.60415 TIMING: 2044000 CPU: 5925.63, 0.00289834/step Wall: 5925.63, 0.00289834/step, 2.37986 hours remaining, 208.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2044000 752.5027 2069.6326 1940.9623 106.9569 -206136.6067 17732.5504 0.0000 0.0000 34468.4181 -149065.5836 301.0213 -183534.0017 -148967.0799 299.8781 -72.3000 -39.7578 557052.1480 17.2469 17.4061 PRESSURE: 2044200 0.353784 82.2743 -14.4042 82.2739 1.42752 -171.939 -14.4041 -171.94 -121.283 GPRESSURE: 2044200 63.924 67.2101 -49.2693 159.043 40.3433 -199.117 17.7112 -192.298 -136.081 PRESSAVG: 2044200 32.1655 -14.4937 -41.4221 -14.4937 -1.56687 -84.5097 -41.4221 -84.5097 -89.7997 GPRESSAVG: 2044200 32.0717 -12.725 -41.1846 -15.5029 -1.01245 -84.2028 -42.2197 -86.0965 -90.898 TIMING: 2044200 CPU: 5926.21, 0.00289723/step Wall: 5926.21, 0.00289723/step, 2.37879 hours remaining, 208.812500 MB of memory in use. ENERGY: 2044200 743.5228 2050.6058 1946.8240 115.4278 -206130.6670 17803.7408 0.0000 0.0000 34503.3176 -148967.2282 301.3261 -183470.5458 -148869.5768 299.6302 -39.8339 -10.6044 558583.8183 -19.7337 -19.9463 LDB: ============= START OF LOAD BALANCING ============== 5929.59 LDB: ============== END OF LOAD BALANCING =============== 5929.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5929.6 LDB: ============= START OF LOAD BALANCING ============== 5929.88 LDB: Largest compute 4792 load 0.022997 is 19.5% of average load 0.117815 LDB: Average compute 0.001743 is 1.5% of average load 0.117815 LDB: TIME 5929.89 LOAD: AVG 0.117815 MAX 0.179974 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 5929.89 LOAD: AVG 0.117815 MAX 0.179974 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: TIME 5929.89 LOAD: AVG 0.117815 MAX 0.179974 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5929.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5929.89 PRESSURE: 2044400 -110.82 39.7764 21.5141 39.7777 -45.5416 65.3057 21.5141 65.3054 -121.349 GPRESSURE: 2044400 -87.9251 -14.7103 -30.58 34.3185 -17.1378 64.0099 -11.3578 -4.49402 -79.4233 PRESSAVG: 2044400 71.6556 17.5992 16.6498 17.5992 -11.5296 -8.8051 16.6498 -8.80506 -71.6178 GPRESSAVG: 2044400 72.7448 15.9646 17.0945 19.178 -12.2287 -8.3599 17.8188 -9.96138 -72.3249 TIMING: 2044400 CPU: 5926.8, 0.00293427/step Wall: 5926.8, 0.00293427/step, 2.40904 hours remaining, 208.925781 MB of memory in use. ENERGY: 2044400 738.0213 2026.2770 1968.5978 98.5862 -205809.2327 17700.5750 0.0000 0.0000 34383.4664 -148893.7091 300.2794 -183277.1755 -148801.1319 300.3404 -92.5702 -61.4954 558250.3315 -3.8306 -3.9363 PRESSURE: 2044600 188.258 -12.4722 69.5485 -12.472 -266.375 -143.745 69.5494 -143.745 42.9378 GPRESSURE: 2044600 218.575 -7.88547 60.2171 21.8262 -250.384 -101.642 120.985 -102.191 92.2025 PRESSAVG: 2044600 25.6476 -14.0619 -65.6566 -14.0618 -27.7675 -0.0698321 -65.6565 -0.0698173 14.4202 GPRESSAVG: 2044600 25.3643 -11.7676 -66.2049 -15.6898 -28.6783 0.672128 -64.9715 -0.813065 15.7702 TIMING: 2044600 CPU: 5927.37, 0.00288626/step Wall: 5927.37, 0.00288626/step, 2.36946 hours remaining, 209.125000 MB of memory in use. ENERGY: 2044600 704.7144 2108.5189 1958.5116 108.8609 -205769.2280 17702.6432 0.0000 0.0000 34155.2826 -149030.6964 298.2866 -183185.9790 -148931.1560 299.9575 -11.7266 20.1310 558010.3677 4.1001 4.1521 PRESSURE: 2044800 -23.8447 36.7678 -21.5119 36.7682 -145.83 92.0269 -21.5112 92.0265 -11.4425 GPRESSURE: 2044800 19.4041 140.48 -59.2556 22.6272 -82.8034 111.026 -16.1929 11.5819 -18.4556 PRESSAVG: 2044800 107.918 -21.6102 -0.442261 -21.6102 -28.4981 -21.067 -0.442125 -21.067 -73.4513 GPRESSAVG: 2044800 108.219 -22.8033 0.901652 -20.5921 -27.4864 -22.1971 -0.673106 -19.4145 -74.401 TIMING: 2044800 CPU: 5927.95, 0.00289239/step Wall: 5927.95, 0.00289239/step, 2.37433 hours remaining, 209.125000 MB of memory in use. ENERGY: 2044800 727.1166 2124.6284 1954.3998 104.6514 -206031.7480 17723.7882 0.0000 0.0000 34181.8727 -149215.2910 298.5188 -183397.1636 -149116.2688 299.7198 -60.3724 -27.2849 558243.4127 1.9894 2.1105 PRESSURE: 2045000 -52.9028 -123.703 81.3327 -123.702 -297.268 9.93007 81.3321 9.93119 -31.3834 GPRESSURE: 2045000 -14.8408 -22.7177 76.0774 -126.09 -301.7 22.5418 121.553 37.4405 34.538 PRESSAVG: 2045000 33.4584 22.3381 8.52028 22.3381 -30.9144 -2.55196 8.5203 -2.55191 -18.5036 GPRESSAVG: 2045000 33.7207 24.3104 8.26801 21.7179 -31.5851 -0.849009 6.94146 -3.80507 -17.9742 TIMING: 2045000 CPU: 5928.53, 0.00289036/step Wall: 5928.53, 0.00289036/step, 2.3725 hours remaining, 209.125000 MB of memory in use. ENERGY: 2045000 725.0027 2067.9758 1931.4722 123.6939 -205793.0481 17555.8706 0.0000 0.0000 34235.9950 -149153.0380 298.9915 -183389.0329 -149054.5130 299.1733 -127.1847 -94.0011 558192.9970 -5.3199 -5.2796 PRESSURE: 2045200 20.0113 -42.6767 54.4099 -42.6763 52.8056 -98.1585 54.4112 -98.1583 222.979 GPRESSURE: 2045200 56.2485 -60.8456 35.0186 29.2147 36.6187 -87.5725 -10.0466 -110.746 287.114 PRESSAVG: 2045200 54.493 -9.91081 26.9634 -9.91088 -23.7312 -4.6171 26.9634 -4.61705 -50.3821 GPRESSAVG: 2045200 53.1393 -11.8112 26.042 -10.6707 -23.4119 -4.81509 26.152 -4.31588 -49.7408 TIMING: 2045200 CPU: 5929.11, 0.00289059/step Wall: 5929.11, 0.00289059/step, 2.37253 hours remaining, 209.125000 MB of memory in use. ENERGY: 2045200 770.6374 2001.8561 1930.5486 111.8660 -206292.9438 17913.9089 0.0000 0.0000 34393.3052 -149170.8216 300.3653 -183564.1269 -149072.1214 299.2906 98.5987 126.6604 555699.5161 -6.5401 -6.6711 PRESSURE: 2045400 195.347 -212.284 30.888 -212.285 -81.009 -72.289 30.8877 -72.2876 26.9996 GPRESSURE: 2045400 214.832 -84.2065 55.0546 -191.465 -0.956468 -82.6074 75.3533 -57.3063 30.2999 PRESSAVG: 2045400 -18.9676 -2.7837 28.4154 -2.78371 94.865 -35.9497 28.4154 -35.9496 -49.4059 GPRESSAVG: 2045400 -18.1732 -2.29708 31.0239 -2.07822 95.9645 -37.1637 28.0664 -33.7917 -51.3608 TIMING: 2045400 CPU: 5929.69, 0.00288603/step Wall: 5929.69, 0.00288604/step, 2.36863 hours remaining, 209.125000 MB of memory in use. ENERGY: 2045400 767.5430 2162.6778 1904.0198 102.8454 -206529.3569 18005.5630 0.0000 0.0000 34284.6782 -149302.0296 299.4166 -183586.7078 -149209.4948 299.2620 47.1126 81.3920 556857.8603 8.8305 8.8102 PRESSURE: 2045600 66.2329 107.416 67.1796 107.416 -314.961 -127.232 67.1791 -127.23 -32.04 GPRESSURE: 2045600 51.1963 50.4396 71.5971 92.6057 -255.979 -61.3377 151.816 -242.354 32.8042 PRESSAVG: 2045600 10.6301 16.9433 28.9904 16.9433 -26.3082 -22.2399 28.9904 -22.24 2.24038 GPRESSAVG: 2045600 9.01976 17.4034 25.912 18.2891 -26.1486 -21.2015 29.5154 -25.0134 3.04942 TIMING: 2045600 CPU: 5930.27, 0.00291659/step Wall: 5930.27, 0.00291659/step, 2.39355 hours remaining, 209.125000 MB of memory in use. ENERGY: 2045600 730.7063 2085.6565 1915.4924 118.5582 -205783.1095 17630.8196 0.0000 0.0000 34125.7187 -149176.1578 298.0284 -183301.8765 -149079.5836 299.2824 -93.5894 -57.3260 558718.8893 -4.4792 -4.6931 PRESSURE: 2045800 344.314 -77.7606 14.7545 -77.7597 108.067 -65.6636 14.753 -65.6641 -6.16141 GPRESSURE: 2045800 326.444 -155.749 26.6317 -78.5018 151.652 -52.5015 4.11617 -4.52352 68.7057 PRESSAVG: 2045800 -5.35859 12.6268 19.2887 12.6268 17.4244 -54.6617 19.2887 -54.6618 43.3504 GPRESSAVG: 2045800 -3.21293 10.716 19.0016 13.2214 17.2417 -54.863 20.8151 -53.8116 41.7154 TIMING: 2045800 CPU: 5930.85, 0.00288859/step Wall: 5930.85, 0.00288859/step, 2.37041 hours remaining, 209.125000 MB of memory in use. ENERGY: 2045800 745.8666 2060.8386 1935.4293 123.8511 -206519.6327 18116.1327 0.0000 0.0000 34291.9856 -149245.5287 299.4804 -183537.5143 -149151.4376 299.6057 148.7401 182.2673 556417.9145 18.4721 18.5814 PRESSURE: 2046000 -68.3888 11.8807 -45.022 11.8801 -40.7248 -56.3639 -45.0225 -56.3643 -350.978 GPRESSURE: 2046000 -47.1275 -52.5762 -65.2277 23.3241 -33.5935 -127.814 -96.754 -9.33778 -275.308 PRESSAVG: 2046000 39.6858 -23.106 10.7656 -23.1061 25.0824 -42.8316 10.7657 -42.8316 -80.0422 GPRESSAVG: 2046000 38.3562 -23.104 11.744 -24.6227 24.5424 -44.3161 10.6311 -42.1575 -78.7617 TIMING: 2046000 CPU: 5931.43, 0.00291553/step Wall: 5931.43, 0.00291553/step, 2.39236 hours remaining, 209.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2046000 764.1387 2096.9328 1932.3585 106.1377 -205769.7284 17569.6495 0.0000 0.0000 34162.4246 -149138.0865 298.3490 -183300.5111 -149044.6805 298.5935 -153.3637 -118.6764 559062.4320 -5.0913 -5.2877 PRESSURE: 2046200 209.733 22.8482 -58.9734 22.8476 -243.868 98.561 -58.9737 98.5608 -108.852 GPRESSURE: 2046200 252.253 17.2842 -110.167 -61.4962 -195.375 42.8342 -95.6186 142.961 -95.6768 PRESSAVG: 2046200 20.4638 -27.187 35.3756 -27.1869 -8.37338 22.8983 35.3756 22.8984 -71.7576 GPRESSAVG: 2046200 20.5433 -26.2256 34.5702 -28.2073 -8.15083 24.4885 35.7917 22.9841 -71.6989 TIMING: 2046200 CPU: 5932.02, 0.0029255/step Wall: 5932.02, 0.0029255/step, 2.40038 hours remaining, 209.125000 MB of memory in use. ENERGY: 2046200 737.3051 2111.5832 1979.8125 110.1664 -206228.8805 17835.0395 0.0000 0.0000 34228.8186 -149226.1552 298.9288 -183454.9738 -149122.9038 299.4527 -47.6626 -12.9329 557915.1619 -19.8891 -19.7688 PRESSURE: 2046400 38.9708 45.0316 -59.4351 45.0321 39.708 -145.292 -59.4352 -145.291 15.3415 GPRESSURE: 2046400 111.625 41.7256 -60.6081 5.68287 13.6355 -259.39 -81.9806 -133.473 60.0497 PRESSAVG: 2046400 13.271 -45.0208 23.7645 -45.0209 16.6944 9.05463 23.7644 9.05467 -17.5344 GPRESSAVG: 2046400 11.9577 -45.4822 23.8948 -43.3631 16.7557 9.48177 23.9618 8.41832 -16.7868 TIMING: 2046400 CPU: 5932.6, 0.00292047/step Wall: 5932.6, 0.00292047/step, 2.39608 hours remaining, 209.125000 MB of memory in use. ENERGY: 2046400 713.7691 2135.6768 1926.9615 112.5837 -206644.4249 18105.8663 0.0000 0.0000 34357.3201 -149292.2473 300.0510 -183649.5674 -149193.5831 298.5735 31.3401 61.7700 557673.5797 4.1436 3.9755 PRESSURE: 2046600 -235.777 161.478 140.709 161.479 25.5398 200.128 140.71 200.128 -77.5444 GPRESSURE: 2046600 -171.508 185.423 62.9458 144.085 98.2596 193.909 179.336 173.874 -109.42 PRESSAVG: 2046600 1.40062 -8.66419 11.1024 -8.66414 -37.3195 -18.4451 11.1024 -18.445 42.7196 GPRESSAVG: 2046600 1.56173 -5.62416 9.32967 -11.0487 -37.9241 -17.7944 11.9746 -19.4328 42.9456 TIMING: 2046600 CPU: 5933.18, 0.00291307/step Wall: 5933.18, 0.00291307/step, 2.38985 hours remaining, 209.125000 MB of memory in use. ENERGY: 2046600 785.5166 2119.9174 1906.2802 111.5302 -206280.3785 17810.5995 0.0000 0.0000 34217.0126 -149329.5219 298.8257 -183546.5345 -149237.8607 298.3952 -95.9271 -60.8897 557380.8723 2.2669 2.1944 PRESSURE: 2046800 -148.161 -11.683 140.905 -11.6822 80.3506 -20.107 140.904 -20.107 116.882 GPRESSURE: 2046800 -93.568 -102.44 126.988 -68.6737 43.6421 -57.6987 31.5308 3.60335 182.454 PRESSAVG: 2046800 -22.1945 4.18798 0.392281 4.18806 -39.1654 -26.158 0.392332 -26.158 38.0214 GPRESSAVG: 2046800 -20.3492 0.78248 1.29542 5.61707 -39.2469 -29.1943 -0.655021 -24.316 36.1563 TIMING: 2046800 CPU: 5933.77, 0.00292391/step Wall: 5933.77, 0.00292391/step, 2.39858 hours remaining, 209.125000 MB of memory in use. ENERGY: 2046800 739.9078 2046.7069 1929.7726 124.0824 -206229.3234 17892.1765 0.0000 0.0000 34265.9166 -149230.7605 299.2528 -183496.6772 -149127.1867 298.5360 16.3571 44.1760 557738.9274 -7.7795 -7.8133 PRESSURE: 2047000 77.6591 77.2373 78.1193 77.2386 291.938 -55.0317 78.1187 -55.0306 -164.903 GPRESSURE: 2047000 70.7457 43.7458 55.9395 143.62 307.591 23.2403 83.1313 -60.903 -76.3151 PRESSAVG: 2047000 -8.17121 -63.6487 -17.7772 -63.6487 2.5807 -18.7368 -17.7772 -18.7368 3.77166 GPRESSAVG: 2047000 -11.2427 -62.1234 -17.0587 -62.2913 4.37091 -17.6177 -19.4326 -18.8268 5.00147 TIMING: 2047000 CPU: 5934.35, 0.0028894/step Wall: 5934.35, 0.0028894/step, 2.37011 hours remaining, 209.125000 MB of memory in use. ENERGY: 2047000 785.2931 2061.5529 1926.6456 118.3775 -206664.6104 18069.1342 0.0000 0.0000 34517.8174 -149185.7897 301.4527 -183703.6071 -149093.4495 299.8522 68.2312 100.6738 558538.0145 -0.6063 -0.6234 PRESSURE: 2047200 99.4201 1.24525 -73.6918 1.24502 166.203 -204.341 -73.6915 -204.342 129.003 GPRESSURE: 2047200 101.519 5.89236 -97.1382 69.7699 232.737 -94.5999 -46.5671 -172.051 172.065 PRESSAVG: 2047200 -24.8122 39.1843 -17.9358 39.1844 47.6343 -34.7569 -17.9358 -34.7567 -17.034 GPRESSAVG: 2047200 -22.4188 39.4835 -18.4693 39.2851 46.2447 -33.5791 -15.3578 -34.8595 -17.7096 TIMING: 2047200 CPU: 5934.92, 0.002894/step Wall: 5934.92, 0.002894/step, 2.37373 hours remaining, 209.125000 MB of memory in use. ENERGY: 2047200 703.1991 2072.3911 1913.4432 114.3678 -206229.6848 18091.3814 0.0000 0.0000 34078.5689 -149256.3332 297.6166 -183334.9021 -149153.8566 299.3001 131.5421 168.7735 558535.2601 1.9294 2.0388 PRESSURE: 2047400 -133.762 25.0481 117.505 25.0489 -170.318 7.02808 117.506 7.02819 -176.516 GPRESSURE: 2047400 -119.298 2.61187 71.4311 3.80772 -160.448 37.3598 104.195 -77.6832 -113.701 PRESSAVG: 2047400 24.352 64.2709 9.93075 64.2708 -17.7265 -45.048 9.9308 -45.0481 -6.7192 GPRESSAVG: 2047400 23.6806 66.0325 10.6833 60.75 -17.6133 -44.2861 6.80868 -45.8115 -6.41705 TIMING: 2047400 CPU: 5935.51, 0.00290842/step Wall: 5935.51, 0.00290842/step, 2.38539 hours remaining, 209.125000 MB of memory in use. ENERGY: 2047400 782.5728 2056.4939 1959.8118 136.2518 -206085.6337 17601.6914 0.0000 0.0000 34231.4775 -149317.3345 298.9520 -183548.8119 -149225.6817 298.6153 -160.1988 -131.1493 557308.8630 -0.0312 -0.1166 PRESSURE: 2047600 -229.287 50.9557 26.4105 50.9562 80.4764 64.7759 26.4106 64.7779 -108.371 GPRESSURE: 2047600 -196.633 10.8234 43.7503 113.287 102.034 -25.0869 24.8744 162.521 -80.0187 PRESSAVG: 2047600 -49.1348 39.581 -32.5877 39.581 -7.02132 31.5072 -32.5877 31.5073 27.5826 GPRESSAVG: 2047600 -49.738 37.4382 -31.7579 45.0945 -6.19732 30.5741 -31.7123 31.7447 27.5233 TIMING: 2047600 CPU: 5936.09, 0.00291554/step Wall: 5936.09, 0.00291554/step, 2.39107 hours remaining, 209.125000 MB of memory in use. ENERGY: 2047600 751.2358 2180.4190 1942.6240 119.3433 -205987.9074 17646.4530 0.0000 0.0000 34022.4971 -149325.3352 297.1269 -183347.8323 -149233.6911 298.5544 -85.7272 -58.2060 556858.2813 -9.5245 -9.4707 PRESSURE: 2047800 -164.164 -106.324 -131.496 -106.324 98.9084 39.7259 -131.498 39.7241 -166.118 GPRESSURE: 2047800 -143.969 -82.1234 -58.2428 -90.8408 108.31 33.2621 -134.455 90.2118 -111.097 PRESSAVG: 2047800 -31.2826 -69.1925 24.7618 -69.1925 41.5545 -54.385 24.7617 -54.3851 -6.13275 GPRESSAVG: 2047800 -30.4493 -70.1562 23.2283 -70.0948 40.8022 -55.7514 26.8907 -54.7691 -5.98467 TIMING: 2047800 CPU: 5936.66, 0.00287445/step Wall: 5936.66, 0.00287445/step, 2.35721 hours remaining, 209.125000 MB of memory in use. ENERGY: 2047800 714.5234 2057.3165 1949.1120 125.0561 -206363.5236 17685.5275 0.0000 0.0000 34324.2004 -149507.7876 299.7618 -183831.9880 -149406.7707 298.0723 -77.1246 -48.9184 556631.4722 1.3797 1.4561 PRESSURE: 2048000 190.273 33.5282 27.5926 33.5292 -9.20324 140.029 27.5921 140.029 98.8849 GPRESSURE: 2048000 193.629 64.2746 -99.429 28.512 13.0864 162.252 18.014 202.507 161.524 PRESSAVG: 2048000 14.7863 -7.85521 -0.883912 -7.85519 21.7214 -1.16196 -0.883976 -1.16202 -32.0427 GPRESSAVG: 2048000 15.1383 -5.51022 -0.145144 -8.62918 21.551 -1.8687 -1.09624 -0.267269 -31.8287 TIMING: 2048000 CPU: 5937.24, 0.00289124/step Wall: 5937.24, 0.00289124/step, 2.37081 hours remaining, 209.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2048000 720.5261 2127.3283 1973.6013 112.5164 -206818.7613 18187.5558 0.0000 0.0000 34140.6117 -149556.6217 298.1585 -183697.2334 -149468.9290 298.5528 93.3181 122.7467 556793.6410 1.4883 1.6202 PRESSURE: 2048200 294.021 -84.7377 164.293 -84.7363 -40.7211 37.861 164.291 37.8608 -77.0322 GPRESSURE: 2048200 357.447 -83.0926 237.249 -143.899 24.2634 -9.4484 170.928 45.6185 -108.114 PRESSAVG: 2048200 46.4151 -68.3446 49.8156 -68.3446 9.33978 -30.0483 49.8156 -30.0485 -20.1529 GPRESSAVG: 2048200 45.4531 -70.2795 49.8888 -67.7535 9.68236 -28.4405 49.4902 -30.4012 -19.1695 TIMING: 2048200 CPU: 5937.82, 0.00287478/step Wall: 5937.82, 0.00287478/step, 2.35716 hours remaining, 209.125000 MB of memory in use. ENERGY: 2048200 750.8183 2029.2876 1945.3375 109.5737 -206541.7231 17857.3473 0.0000 0.0000 34387.1088 -149462.2499 300.3112 -183849.3587 -149370.6414 298.0839 58.7559 91.1987 555955.4181 11.8673 11.9886 LDB: ============= START OF LOAD BALANCING ============== 5941.2 LDB: ============== END OF LOAD BALANCING =============== 5941.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5941.2 LDB: ============= START OF LOAD BALANCING ============== 5941.49 LDB: Largest compute 4793 load 0.023164 is 19.7% of average load 0.117860 LDB: Average compute 0.001748 is 1.5% of average load 0.117860 LDB: TIME 5941.49 LOAD: AVG 0.11786 MAX 0.179094 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.344 MB LDB: TIME 5941.49 LOAD: AVG 0.11786 MAX 0.179094 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.383 MB LDB: TIME 5941.49 LOAD: AVG 0.11786 MAX 0.179094 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.383 MB LDB: ============== END OF LOAD BALANCING =============== 5941.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5941.5 PRESSURE: 2048400 -57.4901 63.9029 19.6993 63.9027 -149.844 -138.979 19.7 -138.979 103.267 GPRESSURE: 2048400 11.9769 68.6594 -35.2161 101.831 -85.1434 -256.311 -52.9684 -39.2056 68.1831 PRESSAVG: 2048400 14.2127 -8.46539 29.6795 -8.46532 5.06504 -37.5453 29.6795 -37.5453 30.8369 GPRESSAVG: 2048400 15.8783 -8.06558 31.5052 -9.80004 3.69451 -38.9974 27.1879 -38.2541 30.7901 TIMING: 2048400 CPU: 5938.4, 0.00293833/step Wall: 5938.4, 0.00293833/step, 2.4091 hours remaining, 208.843750 MB of memory in use. ENERGY: 2048400 711.0484 2031.4188 1943.7271 122.0693 -206549.8561 17921.4808 0.0000 0.0000 34169.8862 -149650.2255 298.4141 -183820.1117 -149552.8580 298.4253 -34.6890 -1.6611 557812.5211 16.7049 16.7876 PRESSURE: 2048600 25.3849 144.927 -12.7203 144.929 48.5446 47.7043 -12.7192 47.7044 135.425 GPRESSURE: 2048600 53.3889 121.786 -4.78985 168.666 67.7583 134.573 -20.4875 5.09255 187.217 PRESSAVG: 2048600 -2.74693 7.57877 1.83388 7.57876 19.057 -28.1857 1.83406 -28.1857 -5.38858 GPRESSAVG: 2048600 -3.75991 6.04044 1.28654 9.42011 20.0952 -27.7361 2.32701 -27.1441 -5.64376 TIMING: 2048600 CPU: 5938.99, 0.00292596/step Wall: 5938.99, 0.00292596/step, 2.3988 hours remaining, 208.988281 MB of memory in use. ENERGY: 2048600 719.2406 2085.7750 1952.7326 115.0410 -206554.5073 17837.6654 0.0000 0.0000 34271.3726 -149572.6801 299.3004 -183844.0527 -149464.7698 298.0446 69.7849 102.7882 556860.2328 3.6405 3.5638 PRESSURE: 2048800 171.284 -51.0614 -108.675 -51.061 190.401 70.8775 -108.675 70.8785 -49.9376 GPRESSURE: 2048800 169.474 -98.6845 -187.992 -118.843 227.357 -33.5584 -100.301 78.5871 4.59594 PRESSAVG: 2048800 -38.164 43.4537 -27.8711 43.4537 8.41531 66.7155 -27.8711 66.7154 12.3017 GPRESSAVG: 2048800 -36.6311 43.8494 -29.8599 43.1812 7.66554 66.8767 -27.3783 65.5065 11.6278 TIMING: 2048800 CPU: 5939.57, 0.00288375/step Wall: 5939.57, 0.00288375/step, 2.36403 hours remaining, 208.988281 MB of memory in use. ENERGY: 2048800 708.2453 2123.6565 1953.0766 115.0361 -206665.5330 18032.6574 0.0000 0.0000 34232.5476 -149500.3135 298.9614 -183732.8611 -149411.4554 299.2642 103.9157 133.8090 557727.8323 -5.8157 -5.7793 PRESSURE: 2049000 -90.261 -186.681 -7.555 -186.681 173.845 7.54262 -7.55491 7.54237 243.748 GPRESSURE: 2049000 4.3647 -170.879 -14.2209 -198.701 192.028 -87.6444 -66.9566 19.4681 223.582 PRESSAVG: 2049000 17.5544 9.83825 -55.376 9.83818 -39.3767 13.1468 -55.3759 13.1468 19.5448 GPRESSAVG: 2049000 16.7091 12.5459 -55.3228 8.4705 -38.9916 13.4577 -53.8832 14.0917 19.5129 TIMING: 2049000 CPU: 5940.15, 0.0029039/step Wall: 5940.15, 0.00290391/step, 2.3804 hours remaining, 208.988281 MB of memory in use. ENERGY: 2049000 743.6935 2070.1734 1918.4933 98.5939 -206198.9048 17858.6519 0.0000 0.0000 34026.7127 -149482.5860 297.1637 -183509.2988 -149385.8369 298.7631 109.1107 139.9915 557001.2305 -0.7592 -0.9232 PRESSURE: 2049200 362.036 -20.4444 -85.996 -20.4449 99.4904 128.461 -85.9953 128.463 133.363 GPRESSURE: 2049200 389.233 72.209 -100.88 -61.5577 132.767 139.841 -65.9865 139.852 167.605 PRESSAVG: 2049200 -25.1732 -51.7767 -42.988 -51.7766 33.3598 16.371 -42.988 16.371 13.8574 GPRESSAVG: 2049200 -25.1929 -51.1577 -41.9569 -51.5454 32.518 16.7274 -42.8815 15.4818 15.0711 TIMING: 2049200 CPU: 5940.73, 0.00290864/step Wall: 5940.73, 0.00290864/step, 2.38412 hours remaining, 208.988281 MB of memory in use. ENERGY: 2049200 747.3486 1973.5388 1966.3081 129.8156 -206945.1846 18373.2731 0.0000 0.0000 34293.0082 -149461.8922 299.4894 -183754.9004 -149363.4631 298.4872 198.2966 229.8685 557959.1069 7.3480 7.4654 PRESSURE: 2049400 -193.856 99.3389 -48.4353 99.3392 -162.788 -159.069 -48.4362 -159.068 -121.271 GPRESSURE: 2049400 -174.078 42.0277 61.1203 119.021 -38.7762 -168.113 -123.543 -151.549 -160.811 PRESSAVG: 2049400 29.324 22.3184 -17.6937 22.3185 9.78088 -9.79889 -17.6936 -9.79884 -18.7974 GPRESSAVG: 2049400 29.1968 19.3917 -18.4793 24.1568 10.2293 -9.62845 -16.5264 -8.92555 -19.2087 TIMING: 2049400 CPU: 5941.31, 0.00289353/step Wall: 5941.31, 0.00289353/step, 2.37157 hours remaining, 208.988281 MB of memory in use. ENERGY: 2049400 753.3551 2054.9018 1929.6082 94.4597 -206483.3460 17828.4838 0.0000 0.0000 34212.2131 -149610.3243 298.7838 -183822.5374 -149509.0909 297.7372 -159.3051 -124.5551 558370.3405 6.7692 6.7391 PRESSURE: 2049600 25.4665 -23.0372 158.213 -23.037 -282.117 -142.29 158.212 -142.288 -39.4145 GPRESSURE: 2049600 60.3401 -48.2334 141.652 43.987 -252.86 -222.762 136.177 -104.79 1.23669 PRESSAVG: 2049600 -13.2176 -28.4438 28.0091 -28.4438 126.418 14.4604 28.009 14.4603 -72.7477 GPRESSAVG: 2049600 -13.2801 -26.8697 28.2165 -29.7756 126.923 14.6304 26.306 14.0581 -73.2231 TIMING: 2049600 CPU: 5941.89, 0.00291082/step Wall: 5941.89, 0.00291082/step, 2.38558 hours remaining, 208.988281 MB of memory in use. ENERGY: 2049600 727.9796 2083.2187 1958.6973 119.8113 -206540.2758 17948.2086 0.0000 0.0000 34153.9065 -149548.4538 298.2746 -183702.3603 -149450.2728 297.9074 -98.6884 -63.7611 559306.7305 13.4842 13.4733 PRESSURE: 2049800 254.632 -110.427 -92.1634 -110.426 284.37 -66.9683 -92.1624 -66.9692 64.6594 GPRESSURE: 2049800 261.396 -53.6804 -73.1488 -75.2695 312.226 -69.5962 -22.8796 -70.4754 129.876 PRESSAVG: 2049800 -33.6801 -29.3561 2.32423 -29.3561 75.197 -44.482 2.32416 -44.482 -45.6913 GPRESSAVG: 2049800 -34.3054 -27.9201 3.08241 -30.0295 74.6564 -45.4977 1.30961 -43.719 -44.241 TIMING: 2049800 CPU: 5942.47, 0.00291806/step Wall: 5942.47, 0.00291806/step, 2.39135 hours remaining, 208.988281 MB of memory in use. ENERGY: 2049800 734.9247 2119.8158 1946.4717 117.6155 -206613.4937 18024.6189 0.0000 0.0000 34034.0040 -149636.0432 297.2274 -183670.0471 -149538.1131 298.4055 201.2206 234.4992 558094.6255 -1.3915 -1.2967 PRESSURE: 2050000 -6.74282 40.5392 -137.531 40.5385 -198.875 -65.4378 -137.529 -65.4378 -63.0569 GPRESSURE: 2050000 75.1304 71.6128 -241.32 63.8764 -218.696 -54.9317 -49.4313 -21.1748 -41.0303 PRESSAVG: 2050000 65.9626 49.8632 32.6258 49.8632 -12.2149 -28.5327 32.6258 -28.5326 -83.5653 GPRESSAVG: 2050000 65.9312 48.5488 31.3775 50.6781 -12.5529 -26.5514 33.656 -31.2984 -83.3336 TIMING: 2050000 CPU: 5943.06, 0.00292692/step Wall: 5943.06, 0.00292692/step, 2.39845 hours remaining, 208.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2050000 746.5868 2075.1110 1964.9569 116.7834 -206373.8941 17706.2772 0.0000 0.0000 34252.1990 -149511.9797 299.1330 -183764.1788 -149415.1296 298.2039 -89.5581 -61.5319 557822.2036 -9.9392 -9.9851 PRESSURE: 2050200 168.206 25.8777 5.2447 25.8769 -50.9242 -145.03 5.2447 -145.029 -153.149 GPRESSURE: 2050200 196.46 110.313 23.4467 -55.7481 -53.8861 -124.15 -20.2373 -183.397 -80.3281 PRESSAVG: 2050200 54.7707 83.1987 -9.58256 83.1987 -45.0648 -49.3971 -9.58264 -49.3971 10.0485 GPRESSAVG: 2050200 55.1452 83.1104 -11.2852 84.3779 -44.1754 -50.2441 -9.48923 -47.9505 8.92598 TIMING: 2050200 CPU: 5943.64, 0.00290691/step Wall: 5943.64, 0.0029069/step, 2.38189 hours remaining, 208.988281 MB of memory in use. ENERGY: 2050200 724.0831 2077.1245 1978.9641 114.5100 -206509.9066 17816.0485 0.0000 0.0000 34216.2067 -149582.9696 298.8186 -183799.1764 -149482.8033 298.4060 -11.9557 20.7484 556166.4093 6.5848 6.6319 PRESSURE: 2050400 201.542 -77.0433 -70.7569 -77.043 -69.8786 26.8721 -70.7567 26.8714 5.68106 GPRESSURE: 2050400 221.152 -2.00453 -79.7446 -111.549 -48.5449 -8.8165 -152.754 45.9293 54.1359 PRESSAVG: 2050400 -4.82267 -9.74261 -12.9087 -9.74247 14.6753 -27.7749 -12.9089 -27.775 1.59788 GPRESSAVG: 2050400 -5.57455 -8.12844 -11.9381 -9.86102 14.8589 -27.755 -13.4225 -26.2317 2.29847 TIMING: 2050400 CPU: 5944.22, 0.00287808/step Wall: 5944.22, 0.00287808/step, 2.3581 hours remaining, 208.988281 MB of memory in use. ENERGY: 2050400 763.6892 2112.3642 1951.8119 106.7519 -206684.7627 17983.5571 0.0000 0.0000 34200.3400 -149566.2484 298.6801 -183766.5884 -149473.0598 298.0911 45.7814 75.5809 557119.5548 3.8168 3.8609 PRESSURE: 2050600 -140.066 -38.4005 -2.59619 -38.4011 -207.596 -63.0668 -2.59605 -63.0654 -44.6644 GPRESSURE: 2050600 -127.584 -35.2116 49.1853 -81.0629 -161.16 -74.8932 23.4936 3.15282 -12.9001 PRESSAVG: 2050600 60.0308 -62.0928 -73.1901 -62.0929 -18.179 -5.95994 -73.1902 -5.95988 -28.8915 GPRESSAVG: 2050600 61.3251 -64.322 -72.406 -61.9542 -18.7546 -5.54582 -74.4026 -5.94774 -30.1793 TIMING: 2050600 CPU: 5944.79, 0.00286161/step Wall: 5944.79, 0.00286161/step, 2.34445 hours remaining, 208.988281 MB of memory in use. ENERGY: 2050600 739.4066 2104.8763 1954.4100 106.7949 -206275.3183 17687.0858 0.0000 0.0000 34262.5097 -149420.2350 299.2230 -183682.7447 -149321.5513 298.2013 -130.7756 -100.5478 557279.1662 4.3201 4.1304 PRESSURE: 2050800 17.5983 -45.2853 111.954 -45.286 104.75 69.5867 111.954 69.5868 9.68437 GPRESSURE: 2050800 1.60736 0.542114 152.661 -128.405 176.873 -0.528773 43.9862 160.781 57.2112 PRESSAVG: 2050800 -40.033 8.71514 10.942 8.71508 66.636 -37.8396 10.942 -37.8397 -49.1185 GPRESSAVG: 2050800 -41.1591 11.0411 10.3771 9.54997 66.5801 -38.7114 13.426 -37.8379 -47.7595 TIMING: 2050800 CPU: 5945.36, 0.00285944/step Wall: 5945.36, 0.00285944/step, 2.34251 hours remaining, 208.988281 MB of memory in use. ENERGY: 2050800 756.5149 2098.1092 1933.4808 121.2029 -206368.1161 17862.0456 0.0000 0.0000 34198.1351 -149398.6276 298.6608 -183596.7627 -149305.8575 298.9578 44.0109 78.5639 555964.9139 -7.5052 -7.4462 PRESSURE: 2051000 -197.887 -93.0107 -189.803 -93.0119 -77.2627 19.4489 -189.802 19.45 -282.472 GPRESSURE: 2051000 -163.056 -92.7764 -332.277 20.5961 -17.3975 -61.4803 -135.172 -21.7707 -281.974 PRESSAVG: 2051000 73.9296 8.83753 1.18261 8.83751 -24.6999 -7.46189 1.18261 -7.46198 -51.8933 GPRESSAVG: 2051000 73.9252 7.281 1.56594 6.92237 -25.1865 -8.14498 0.671802 -9.09932 -51.894 TIMING: 2051000 CPU: 5945.94, 0.00288172/step Wall: 5945.94, 0.00288172/step, 2.36061 hours remaining, 208.988281 MB of memory in use. ENERGY: 2051000 773.3522 2090.1862 1943.3034 106.3185 -206544.8931 17725.0865 0.0000 0.0000 34446.0734 -149460.5729 300.8261 -183906.6463 -149359.3986 299.0272 -185.8737 -154.1425 557525.4570 -0.8879 -1.0518 PRESSURE: 2051200 150.361 -76.2226 -134.283 -76.2204 -57.1628 -59.5898 -134.282 -59.5902 -183.888 GPRESSURE: 2051200 156.655 -116.819 -239.246 -64.2419 3.161 -27.277 -53.3212 -57.5776 -158.35 PRESSAVG: 2051200 113.588 13.932 -41.9234 13.9321 -20.2545 -1.17342 -41.9233 -1.17349 -99.3264 GPRESSAVG: 2051200 112.102 15.4425 -40.8882 13.912 -18.3322 -1.35596 -42.548 0.140903 -99.6601 TIMING: 2051200 CPU: 5946.51, 0.0028791/step Wall: 5946.51, 0.0028791/step, 2.35831 hours remaining, 208.988281 MB of memory in use. ENERGY: 2051200 786.7767 2024.7339 1976.0820 100.5177 -206371.2045 17911.7644 0.0000 0.0000 34074.1250 -149497.2048 297.5778 -183571.3298 -149399.9708 298.8148 -30.2298 0.4886 556792.6323 -1.9977 -1.9635 PRESSURE: 2051400 -54.8953 38.8676 51.9376 38.8664 127.08 -5.20236 51.938 -5.20121 208.097 GPRESSURE: 2051400 -1.03744 54.6182 74.0127 75.5276 152.374 19.1306 64.3302 -40.2874 225.39 PRESSAVG: 2051400 -3.33771 -5.89231 -3.41832 -5.89243 -36.5809 -7.10419 -3.4183 -7.10413 32.3347 GPRESSAVG: 2051400 -2.38416 -6.59828 -4.41874 -4.15304 -37.3028 -6.01838 -1.09858 -5.07098 32.3347 TIMING: 2051400 CPU: 5947.09, 0.00287285/step Wall: 5947.09, 0.00287285/step, 2.35303 hours remaining, 208.988281 MB of memory in use. ENERGY: 2051400 760.0746 2136.4218 1972.8172 115.5609 -206588.1908 17935.9126 0.0000 0.0000 34241.7608 -149425.6429 299.0418 -183667.4037 -149321.6364 298.5344 93.4273 125.5757 555838.3353 -2.5280 -2.4508 PRESSURE: 2051600 -291.575 0.300997 75.4058 0.301232 -253.165 -152.438 75.4052 -152.439 9.40428 GPRESSURE: 2051600 -250.199 -34.7164 86.9763 54.2693 -226.885 -62.8283 53.2365 -168.569 53.8948 PRESSAVG: 2051600 -49.7823 47.3762 19.3166 47.3763 -28.8532 -5.85553 19.3166 -5.85562 134.271 GPRESSAVG: 2051600 -49.5812 46.2402 20.0301 47.4088 -28.678 -7.13781 16.1544 -8.57495 134.299 TIMING: 2051600 CPU: 5947.67, 0.00290154/step Wall: 5947.67, 0.00290154/step, 2.37636 hours remaining, 208.988281 MB of memory in use. ENERGY: 2051600 737.0702 2066.7300 1952.5839 129.1258 -205971.1070 17604.0724 0.0000 0.0000 34076.3738 -149405.1510 297.5974 -183481.5248 -149309.9973 298.3976 -178.4451 -141.0631 557241.0342 18.5452 18.6798 PRESSURE: 2051800 107.458 37.3538 -98.7851 37.3547 66.9139 240.352 -98.7839 240.354 340.069 GPRESSURE: 2051800 123.666 72.1247 -137.425 -7.54595 132.066 201.297 -124.949 330.886 367.472 PRESSAVG: 2051800 11.976 19.6679 13.2457 19.6679 -13.0017 -7.15065 13.2456 -7.15067 -21.8613 GPRESSAVG: 2051800 11.5526 19.4932 12.1344 18.9886 -12.8845 -4.72534 15.3418 -7.04872 -22.0062 TIMING: 2051800 CPU: 5948.24, 0.00288216/step Wall: 5948.24, 0.00288216/step, 2.36033 hours remaining, 208.988281 MB of memory in use. ENERGY: 2051800 725.7740 2070.0778 1946.7191 116.5562 -206787.7299 18286.3228 0.0000 0.0000 34418.2433 -149224.0368 300.5831 -183642.2801 -149128.4615 298.9364 171.4803 207.7346 556933.7805 -7.6290 -7.7793 PRESSURE: 2052000 104.178 -23.1443 -35.0065 -23.1439 -281.749 -10.7392 -35.0065 -10.7385 -16.3415 GPRESSURE: 2052000 89.5376 -113.198 -96.0468 -68.0714 -224.121 -14.4661 23.6724 5.16406 19.5934 PRESSAVG: 2052000 27.0984 -13.678 -18.9819 -13.6781 -76.1154 -20.595 -18.9819 -20.595 76.2317 GPRESSAVG: 2052000 26.7551 -12.9935 -18.1574 -14.7324 -76.5263 -23.3937 -20.6775 -19.5284 77.1645 TIMING: 2052000 CPU: 5948.82, 0.00289426/step Wall: 5948.82, 0.00289426/step, 2.37008 hours remaining, 208.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2052000 749.5760 2128.7920 1935.3163 112.9804 -206078.2295 17562.1954 0.0000 0.0000 34436.2892 -149153.0802 300.7407 -183589.3694 -149062.2411 299.3088 -64.6374 -38.3301 557620.6647 9.0716 9.1311 PRESSURE: 2052200 -222.911 105.224 36.2725 105.223 449.711 33.0104 36.2715 33.0101 157.324 GPRESSURE: 2052200 -115.681 129.643 7.64466 108.612 417.089 83.9373 2.66387 48.6701 172.44 PRESSAVG: 2052200 -52.282 -5.45515 38.1409 -5.45526 -5.81919 23.8232 38.1408 23.8231 43.6465 GPRESSAVG: 2052200 -51.9712 -5.84923 39.8808 -3.54756 -5.85294 26.3799 37.1252 23.1533 44.3397 TIMING: 2052200 CPU: 5949.4, 0.00288265/step Wall: 5949.4, 0.00288265/step, 2.36041 hours remaining, 208.988281 MB of memory in use. ENERGY: 2052200 757.1347 2073.9905 1953.4494 115.0679 -206505.1892 18138.0160 0.0000 0.0000 34193.0771 -149274.4537 298.6166 -183467.5308 -149182.7123 299.8547 128.0413 157.9496 556896.6687 -4.8182 -4.4948 LDB: ============= START OF LOAD BALANCING ============== 5952.78 LDB: ============== END OF LOAD BALANCING =============== 5952.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5952.78 LDB: ============= START OF LOAD BALANCING ============== 5953.07 LDB: Largest compute 4792 load 0.022507 is 19.1% of average load 0.117778 LDB: Average compute 0.001745 is 1.5% of average load 0.117778 LDB: TIME 5953.08 LOAD: AVG 0.117778 MAX 0.179116 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.184 MB LDB: TIME 5953.08 LOAD: AVG 0.117778 MAX 0.179116 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.184 MB LDB: TIME 5953.08 LOAD: AVG 0.117778 MAX 0.179116 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5953.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5953.08 PRESSURE: 2052400 49.7261 54.5061 -87.6219 54.5069 224.585 0.486435 -87.6208 0.485328 -115.868 GPRESSURE: 2052400 55.7138 8.02321 -80.4087 92.6034 267.489 -10.4286 -112.16 116.507 -49.9185 PRESSAVG: 2052400 -2.01472 -7.03865 -13.5514 -7.03864 13.6016 -14.2103 -13.5514 -14.2103 3.37821 GPRESSAVG: 2052400 -1.89459 -6.32366 -15.4414 -6.57302 15.112 -13.2938 -11.4244 -14.6286 1.51465 TIMING: 2052400 CPU: 5949.99, 0.00294192/step Wall: 5949.99, 0.00294192/step, 2.40878 hours remaining, 207.898438 MB of memory in use. ENERGY: 2052400 782.7317 2065.8483 1967.0269 106.8584 -206686.6771 18153.0546 0.0000 0.0000 34180.2954 -149430.8617 298.5050 -183611.1571 -149338.2448 299.3462 52.8143 91.0948 557648.7179 4.9883 4.9107 PRESSURE: 2052600 304.508 -52.7757 -43.635 -52.7756 -78.6085 11.7913 -43.6357 11.7915 -65.8845 GPRESSURE: 2052600 279.626 -33.9945 -49.4858 -17.068 -27.7265 61.6743 9.90591 13.9694 13.5302 PRESSAVG: 2052600 -45.9414 -11.7196 12.9585 -11.7197 1.62546 13.1881 12.9585 13.1881 17.1427 GPRESSAVG: 2052600 -45.5935 -13.3264 13.0222 -11.7131 0.921361 13.0508 12.4142 14.1389 17.8717 TIMING: 2052600 CPU: 5950.56, 0.00286775/step Wall: 5950.56, 0.00286775/step, 2.34789 hours remaining, 207.898438 MB of memory in use. ENERGY: 2052600 733.5006 2069.6262 2010.8988 124.3942 -206737.9878 17942.0626 0.0000 0.0000 34367.9850 -149489.5203 300.1442 -183857.5053 -149386.9098 298.7252 53.3384 88.4767 556176.1538 -9.0577 -8.9335 PRESSURE: 2052800 147.088 61.428 -70.4407 61.4283 -360.287 -151.703 -70.442 -151.703 179.84 GPRESSURE: 2052800 148.454 93.931 -154.4 60.0476 -310.17 -192.307 -54.0926 -72.6634 210.946 PRESSAVG: 2052800 -4.06798 -4.24294 -14.4107 -4.24292 -22.7413 -14.8549 -14.4107 -14.8548 23.0282 GPRESSAVG: 2052800 -3.48869 -3.05155 -14.1602 -5.40418 -23.5751 -15.8685 -15.2687 -16.2544 22.9105 TIMING: 2052800 CPU: 5951.14, 0.00288926/step Wall: 5951.14, 0.00288926/step, 2.36534 hours remaining, 207.898438 MB of memory in use. ENERGY: 2052800 749.7766 2103.8344 1966.3710 110.6507 -206386.6287 17715.9398 0.0000 0.0000 34162.3555 -149577.7008 298.3483 -183740.0562 -149477.2609 299.0831 -11.1196 16.4102 556245.2479 -1.2604 -1.3844 PRESSURE: 2053000 56.588 225.134 43.6033 225.134 114.522 -196.284 43.6031 -196.283 -21.7317 GPRESSURE: 2053000 152.306 218.388 -43.4515 213.898 115.546 -162.941 18.2296 -162.66 -25.4156 PRESSAVG: 2053000 -5.62253 12.1583 -43.536 12.1583 1.52038 29.5434 -43.536 29.5433 53.1068 GPRESSAVG: 2053000 -6.21356 13.2278 -44.2598 10.355 2.21394 29.3916 -43.7811 29.9268 53.2834 TIMING: 2053000 CPU: 5951.72, 0.00289736/step Wall: 5951.72, 0.00289736/step, 2.37181 hours remaining, 207.898438 MB of memory in use. ENERGY: 2053000 723.3277 2086.4739 1940.5333 123.5782 -206786.2830 17950.0734 0.0000 0.0000 34363.1252 -149599.1713 300.1017 -183962.2965 -149503.4973 299.0022 49.7928 80.8122 555107.2595 16.3349 16.4279 PRESSURE: 2053200 -172.316 -64.7953 244.65 -64.7958 -67.8368 -12.4608 244.651 -12.4618 -358.488 GPRESSURE: 2053200 -158.861 -103.281 252.13 21.5549 -34.4513 -43.4561 272.385 4.45328 -312.408 PRESSAVG: 2053200 -37.9152 9.45457 14.0353 9.45458 6.73074 -13.5507 14.0354 -13.5507 13.9996 GPRESSAVG: 2053200 -37.3145 9.6902 17.0522 11.023 6.4601 -13.5282 13.1112 -12.7727 13.2728 TIMING: 2053200 CPU: 5952.3, 0.00291025/step Wall: 5952.3, 0.00291025/step, 2.3822 hours remaining, 208.101562 MB of memory in use. ENERGY: 2053200 756.7495 2096.7911 1955.9724 108.6376 -206215.6613 17675.8460 0.0000 0.0000 34143.2375 -149478.4271 298.1814 -183621.6646 -149382.4067 298.2418 -199.5469 -168.5736 556994.4146 -5.7283 -5.8605 PRESSURE: 2053400 85.0504 -36.4701 138.118 -36.4711 -28.1126 -212.932 138.116 -212.932 -50.9733 GPRESSURE: 2053400 110.653 -77.0533 105.643 -22.5341 19.6328 -314.827 52.2014 -126.45 -19.9646 PRESSAVG: 2053400 -16.4619 -32.0719 -28.4822 -32.072 45.1997 -29.7793 -28.4822 -29.7793 -67.0491 GPRESSAVG: 2053400 -17.2067 -31.2936 -29.333 -33.432 45.5682 -29.0165 -28.4047 -29.9981 -66.2641 TIMING: 2053400 CPU: 5952.88, 0.00289058/step Wall: 5952.88, 0.00289058/step, 2.36594 hours remaining, 208.101562 MB of memory in use. ENERGY: 2053400 813.3060 2093.9709 1933.3436 122.8785 -206552.7063 17805.5892 0.0000 0.0000 34254.1282 -149529.4900 299.1498 -183783.6182 -149431.1403 297.9276 1.9882 36.7738 556614.8519 -12.7704 -12.6342 PRESSURE: 2053600 -9.50911 174.938 -55.0962 174.938 -137.019 -20.9105 -55.0966 -20.9103 -55.5247 GPRESSURE: 2053600 35.2155 211.862 -103.895 147.399 -102.74 37.57 22.4801 69.4411 -43.2661 PRESSAVG: 2053600 43.6809 57.8698 10.817 57.8698 -11.981 -13.5564 10.817 -13.5563 -31.6456 GPRESSAVG: 2053600 44.898 57.4249 7.51481 60.7119 -12.308 -15.7735 12.214 -13.5568 -32.4969 TIMING: 2053600 CPU: 5953.46, 0.0028983/step Wall: 5953.46, 0.0028983/step, 2.3721 hours remaining, 208.101562 MB of memory in use. ENERGY: 2053600 780.2245 2091.2986 1935.9203 122.4019 -206246.0934 17834.0777 0.0000 0.0000 34223.7975 -149258.3729 298.8849 -183482.1703 -149165.0921 298.3876 -67.3510 -36.9301 556723.0066 0.0181 0.0310 PRESSURE: 2053800 11.1978 11.3343 46.1143 11.3346 -77.6405 170.054 46.114 170.055 -203.328 GPRESSURE: 2053800 33.7511 -52.9714 46.9617 30.5158 -11.9026 140.464 62.06 202.187 -190.246 PRESSAVG: 2053800 -10.5755 -10.407 31.0028 -10.4069 41.368 3.3367 31.0027 3.33668 9.08295 GPRESSAVG: 2053800 -12.222 -10.4573 32.8705 -13.4378 41.3138 3.70781 31.0861 4.25033 10.8232 TIMING: 2053800 CPU: 5954.04, 0.00290638/step Wall: 5954.04, 0.00290638/step, 2.37855 hours remaining, 208.101562 MB of memory in use. ENERGY: 2053800 765.4679 2092.7176 1967.2173 110.7704 -206014.8862 17708.1254 0.0000 0.0000 34160.0447 -149210.5429 298.3282 -183370.5876 -149107.0868 299.2233 -89.9237 -56.1326 557574.0100 13.2918 13.3050 PRESSURE: 2054000 -48.455 69.4779 97.3036 69.4769 -164.477 174.563 97.3034 174.563 -15.5981 GPRESSURE: 2054000 -19.0189 86.0735 99.7532 35.4335 -112.081 258.025 120.653 130.364 -1.08005 PRESSAVG: 2054000 -20.8068 31.0746 54.232 31.0746 -4.53976 39.6003 54.232 39.6005 -16.518 GPRESSAVG: 2054000 -19.9978 30.4652 54.4181 31.5232 -4.95716 40.5746 54.176 40.6801 -16.754 TIMING: 2054000 CPU: 5954.62, 0.00290215/step Wall: 5954.62, 0.00290215/step, 2.37493 hours remaining, 208.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2054000 736.2295 2120.2062 1910.6922 117.0748 -206259.3033 17693.1677 0.0000 0.0000 34366.5377 -149315.3952 300.1315 -183681.9329 -149217.1287 298.7890 -76.1769 -44.0600 556598.2079 -13.9549 -13.9030 PRESSURE: 2054200 184.896 62.6867 103.045 62.6864 33.1337 -190.06 103.045 -190.059 81.1524 GPRESSURE: 2054200 187.919 -10.5936 -27.8982 182.87 106.407 -197.605 157.13 -167.534 97.7176 PRESSAVG: 2054200 28.6214 83.3372 5.04892 83.3372 51.2698 32.1988 5.04889 32.1989 -27.5715 GPRESSAVG: 2054200 28.2954 83.5294 4.71567 84.1563 52.7282 33.4742 4.49319 29.4179 -28.4798 TIMING: 2054200 CPU: 5955.2, 0.00288955/step Wall: 5955.2, 0.00288955/step, 2.36446 hours remaining, 208.101562 MB of memory in use. ENERGY: 2054200 810.2446 2085.8653 1940.6528 118.5376 -206542.7694 18103.5217 0.0000 0.0000 34247.3406 -149236.6067 299.0905 -183483.9473 -149149.2309 299.2259 99.7273 130.6813 557293.5757 17.4399 17.5146 PRESSURE: 2054400 -61.5442 227.306 178.012 227.306 -131.759 127.973 178.014 127.973 -100.104 GPRESSURE: 2054400 -54.84 264.733 169.001 227.768 -103.008 170.562 199.528 109.533 -34.4158 PRESSAVG: 2054400 -26.5673 41.8607 35.2895 41.8606 -3.85511 5.72884 35.2896 5.7288 15.7935 GPRESSAVG: 2054400 -26.1296 42.7373 34.4726 41.5764 -4.85679 5.12824 35.5628 5.11395 16.0382 TIMING: 2054400 CPU: 5955.78, 0.00289555/step Wall: 5955.78, 0.00289555/step, 2.36921 hours remaining, 208.101562 MB of memory in use. ENERGY: 2054400 733.7762 2071.7735 1924.1097 111.8136 -205948.9376 17686.7849 0.0000 0.0000 34246.8167 -149173.8629 299.0860 -183420.6796 -149072.4247 299.4453 -97.8023 -64.0878 559197.3762 -4.8763 -4.9827 PRESSURE: 2054600 75.2875 45.4676 33.6548 45.4669 -557.966 21.0232 33.6546 21.0245 203.561 GPRESSURE: 2054600 67.7276 49.8457 102.479 110.554 -493.136 30.5072 -27.9554 22.5724 242.928 PRESSAVG: 2054600 -62.9072 -28.5879 22.4918 -28.5878 -40.6989 18.5343 22.4918 18.5343 82.9033 GPRESSAVG: 2054600 -63.5714 -28.7804 23.1508 -29.2273 -41.2909 18.3027 22.9365 20.6785 83.7714 TIMING: 2054600 CPU: 5956.35, 0.00288946/step Wall: 5956.35, 0.00288946/step, 2.36406 hours remaining, 208.101562 MB of memory in use. ENERGY: 2054600 715.9711 2085.1474 1951.9874 115.4123 -206251.4801 17763.5134 0.0000 0.0000 34292.6490 -149326.7995 299.4862 -183619.4484 -149228.2136 298.7742 -93.0392 -60.8270 558440.2946 -6.9010 -7.0303 PRESSURE: 2054800 -13.314 -20.1824 28.2127 -20.1821 89.3393 109.553 28.2118 109.554 188.26 GPRESSURE: 2054800 32.6459 -12.5535 11.2628 47.9191 167.102 179.482 60.9598 50.4939 144.843 PRESSAVG: 2054800 10.0169 14.3038 36.484 14.3037 -34.5233 1.64048 36.484 1.64049 5.44062 GPRESSAVG: 2054800 10.4341 12.9652 36.0304 17.0454 -34.0557 1.64706 34.7621 1.45274 4.14391 TIMING: 2054800 CPU: 5956.93, 0.00288545/step Wall: 5956.93, 0.00288545/step, 2.36062 hours remaining, 208.101562 MB of memory in use. ENERGY: 2054800 733.5358 2103.6034 1955.2057 100.8270 -206400.9519 17895.5445 0.0000 0.0000 34246.2157 -149366.0199 299.0807 -183612.2356 -149267.0238 298.9574 88.0952 114.8637 557108.7984 -6.3553 -6.4925 PRESSURE: 2055000 -127.463 186.766 -54.864 186.765 -104.896 11.4441 -54.863 11.4439 -323.662 GPRESSURE: 2055000 -119.164 250.228 -19.8201 17.7211 -69.4898 -7.17906 -60.3782 -14.3248 -286.128 PRESSAVG: 2055000 -35.368 -10.1764 -20.5621 -10.1764 -5.23211 -5.78547 -20.562 -5.78554 23.1493 GPRESSAVG: 2055000 -35.6475 -8.64634 -18.7529 -10.5958 -5.84348 -4.60277 -20.0588 -6.45768 24.1137 TIMING: 2055000 CPU: 5957.51, 0.00290152/step Wall: 5957.51, 0.00290152/step, 2.3736 hours remaining, 208.101562 MB of memory in use. ENERGY: 2055000 742.0183 2053.0362 1929.6443 125.8841 -206114.5707 17558.9269 0.0000 0.0000 34401.6637 -149303.3972 300.4383 -183705.0609 -149209.2602 298.7679 -185.3401 -158.2608 558065.6521 -5.8169 -5.7924 PRESSURE: 2055200 269.124 -7.20725 -71.9293 -7.20714 152.296 102.343 -71.9308 102.342 76.5191 GPRESSURE: 2055200 292.333 -64.125 -53.3216 -62.7269 167.502 56.3688 -168.111 81.8976 139.297 PRESSAVG: 2055200 22.4117 -18.2842 -56.3392 -18.2842 -8.77718 54.0843 -56.3393 54.0844 -9.11016 GPRESSAVG: 2055200 21.336 -17.6512 -58.8755 -20.2924 -7.50494 51.3047 -55.5972 57.3889 -9.42696 TIMING: 2055200 CPU: 5958.09, 0.00289036/step Wall: 5958.09, 0.00289036/step, 2.36431 hours remaining, 208.101562 MB of memory in use. ENERGY: 2055200 754.9304 2087.4114 1940.2047 114.5755 -206541.6496 18115.9726 0.0000 0.0000 34294.3422 -149234.2128 299.5010 -183528.5550 -149137.3974 299.4806 165.9798 199.7108 556543.4294 1.5081 1.4680 PRESSURE: 2055400 52.5832 128.683 4.86663 128.682 -36.6076 16.6287 4.8673 16.6284 207.809 GPRESSURE: 2055400 120.476 90.7887 26.2588 163.545 -25.3647 -12.674 -32.3052 11.4298 234.819 PRESSAVG: 2055400 30.6101 18.2321 -13.6012 18.2321 -4.8872 55.2593 -13.6012 55.2594 -0.664829 GPRESSAVG: 2055400 31.1778 16.4781 -13.0618 20.2374 -4.76921 55.0858 -14.1647 53.8726 -1.53767 TIMING: 2055400 CPU: 5958.67, 0.00288362/step Wall: 5958.67, 0.00288362/step, 2.35864 hours remaining, 208.101562 MB of memory in use. ENERGY: 2055400 754.1149 2110.4586 1922.5687 101.3060 -206478.1996 18038.8798 0.0000 0.0000 34424.9659 -149125.9057 300.6418 -183550.8716 -149028.9365 300.0059 74.5947 109.9768 557642.2010 8.3527 8.2903 PRESSURE: 2055600 20.2959 59.9658 -115.715 59.9643 -76.7793 89.7622 -115.715 89.762 -29.4178 GPRESSURE: 2055600 90.6052 23.3412 -172.587 19.2897 -3.70233 77.4806 -57.8909 160.889 -69.5963 PRESSAVG: 2055600 81.7009 42.4065 -30.7157 42.4065 -100.915 13.0957 -30.7159 13.0957 35.2804 GPRESSAVG: 2055600 82.2341 43.3568 -31.0982 40.9134 -101.521 14.055 -30.5767 15.4058 35.3115 TIMING: 2055600 CPU: 5959.24, 0.00286269/step Wall: 5959.24, 0.00286269/step, 2.34136 hours remaining, 208.101562 MB of memory in use. ENERGY: 2055600 746.5203 2106.9053 1951.3207 117.1383 -206199.8657 17710.0648 0.0000 0.0000 34429.3010 -149138.6153 300.6796 -183567.9163 -149041.4029 299.8816 -28.6337 5.7688 557324.4968 5.3555 5.3415 PRESSURE: 2055800 -8.90989 27.3596 -83.6488 27.3607 11.9007 105.061 -83.648 105.062 -123.732 GPRESSURE: 2055800 45.2533 86.4907 -11.4181 20.5191 -38.5341 66.9247 -101.947 73.2578 -21.3621 PRESSAVG: 2055800 -32.8083 55.5374 -19.353 55.5375 -44.8383 -30.2168 -19.353 -30.2169 71.1504 GPRESSAVG: 2055800 -33.3537 55.6176 -18.5981 54.8345 -44.3352 -30.3849 -17.9426 -31.4873 71.242 TIMING: 2055800 CPU: 5959.81, 0.00287289/step Wall: 5959.81, 0.00287289/step, 2.34954 hours remaining, 208.101562 MB of memory in use. ENERGY: 2055800 770.4873 2041.2363 1940.5329 102.0338 -205909.8769 17733.4723 0.0000 0.0000 34181.2480 -149140.8663 298.5133 -183322.1143 -149048.6204 299.4380 -40.2470 -4.8810 557588.1386 -2.1654 -2.1490 PRESSURE: 2056000 6.64417 -154.728 -51.1283 -154.728 117.211 -41.6466 -51.1291 -41.6449 13.8947 GPRESSURE: 2056000 -31.2254 -167.154 -4.38236 -106.585 200.821 -79.0504 -138.92 6.23748 69.0589 PRESSAVG: 2056000 14.2888 -12.9883 -25.9621 -12.9883 -19.3669 -4.5383 -25.9622 -4.53826 -1.39308 GPRESSAVG: 2056000 14.6488 -14.68 -27.4532 -9.55492 -19.7607 -3.78697 -25.4652 -5.43329 -1.44 TIMING: 2056000 CPU: 5960.39, 0.00287467/step Wall: 5960.39, 0.00287467/step, 2.35084 hours remaining, 208.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2056000 750.0007 2055.2284 1947.8583 107.2049 -206258.3594 17878.1664 0.0000 0.0000 34305.9741 -149213.9266 299.6026 -183519.9007 -149116.1455 299.0517 45.9167 79.5515 557487.2868 -2.1571 -2.1840 PRESSURE: 2056200 -139.426 168.161 77.2756 168.161 88.7364 -85.1475 77.2772 -85.1456 -205.309 GPRESSURE: 2056200 -82.3594 199.209 84.8145 127.092 63.5896 -76.1491 24.0485 -97.2734 -136.131 PRESSAVG: 2056200 -22.9147 -37.4072 -8.36604 -37.4071 8.20404 33.4993 -8.3662 33.4991 59.2892 GPRESSAVG: 2056200 -24.084 -34.5634 -7.18001 -39.8803 7.703 32.754 -10.7198 35.3566 60.9376 TIMING: 2056200 CPU: 5960.97, 0.00290589/step Wall: 5960.97, 0.00290589/step, 2.37621 hours remaining, 208.101562 MB of memory in use. ENERGY: 2056200 745.4199 2105.8070 1942.7395 107.7081 -205909.9410 17783.0812 0.0000 0.0000 34024.1766 -149201.0087 297.1416 -183225.1853 -149109.7106 299.3070 -85.3329 -51.6337 559434.5294 14.8595 14.8522 LDB: ============= START OF LOAD BALANCING ============== 5964.36 LDB: ============== END OF LOAD BALANCING =============== 5964.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5964.36 LDB: ============= START OF LOAD BALANCING ============== 5964.65 LDB: Largest compute 4792 load 0.023885 is 20.3% of average load 0.117864 LDB: Average compute 0.001747 is 1.5% of average load 0.117864 LDB: TIME 5964.65 LOAD: AVG 0.117864 MAX 0.180249 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 5964.66 LOAD: AVG 0.117864 MAX 0.180249 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: TIME 5964.66 LOAD: AVG 0.117864 MAX 0.180249 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5964.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5964.66 PRESSURE: 2056400 102.081 -31.5939 3.23449 -31.5948 -97.9435 167.758 3.23619 167.758 -175.269 GPRESSURE: 2056400 150.612 -54.3386 -7.8134 -16.2985 -53.6051 199.855 76.3796 178.075 -162.974 PRESSAVG: 2056400 69.9841 2.88043 15.026 2.88044 -45.3409 42.5002 15.026 42.5002 -19.8811 GPRESSAVG: 2056400 70.1651 -0.125055 15.8676 2.84043 -43.9405 41.5897 15.3154 42.1602 -21.53 TIMING: 2056400 CPU: 5961.57, 0.00297976/step Wall: 5961.57, 0.00297976/step, 2.43645 hours remaining, 208.101562 MB of memory in use. ENERGY: 2056400 721.0911 2113.9101 1944.7033 112.7346 -206467.4372 17791.7332 0.0000 0.0000 34365.7689 -149417.4960 300.1248 -183783.2649 -149316.7750 298.9683 -57.0437 -21.9889 557091.8182 1.5874 1.5648 PRESSURE: 2056600 18.6048 19.0055 135.158 19.0045 -62.5869 184.582 135.158 184.584 -181.157 GPRESSURE: 2056600 -2.92041 79.4283 42.5723 61.0168 -18.4368 143.053 153.812 165.318 -107.153 PRESSAVG: 2056600 143.925 40.5726 -6.37279 40.5726 -17.5717 8.76396 -6.3729 8.76394 -94.7872 GPRESSAVG: 2056600 143.53 41.0213 -10.7301 42.5084 -18.0632 6.73934 -2.92705 10.2411 -93.7463 TIMING: 2056600 CPU: 5962.15, 0.00292618/step Wall: 5962.15, 0.00292618/step, 2.39248 hours remaining, 208.101562 MB of memory in use. ENERGY: 2056600 751.7476 2060.9680 1953.9102 107.7717 -206469.6167 17742.6455 0.0000 0.0000 34412.1868 -149440.3869 300.5302 -183852.5738 -149340.7466 298.9178 -75.0463 -42.8368 556224.9997 10.5219 10.5734 PRESSURE: 2056800 -42.7713 -63.5365 11.9215 -63.5375 10.0229 -76.9228 11.9215 -76.9236 42.6351 GPRESSURE: 2056800 -4.70466 -78.9035 9.96645 -43.5484 72.3474 -68.305 -9.113 -21.6435 32.3778 PRESSAVG: 2056800 10.5332 -68.0244 0.37327 -68.0245 58.1079 -19.0321 0.373279 -19.0321 -54.7106 GPRESSAVG: 2056800 10.9787 -67.3335 3.52218 -70.0281 58.7012 -17.8594 -3.46019 -21.0777 -55.4505 TIMING: 2056800 CPU: 5962.73, 0.00289585/step Wall: 5962.73, 0.00289585/step, 2.36752 hours remaining, 208.101562 MB of memory in use. ENERGY: 2056800 719.6184 2124.4525 1944.3399 121.8477 -206120.6688 17701.8116 0.0000 0.0000 34235.8170 -149272.7817 298.9899 -183508.5987 -149184.4037 299.5343 3.2956 33.3402 557533.7839 4.6435 4.7431 PRESSURE: 2057000 -38.1516 -51.3036 35.2083 -51.3048 -163.179 -28.5428 35.2078 -28.5425 -92.322 GPRESSURE: 2057000 4.9318 -67.6684 83.0356 -10.9685 -223.027 -64.5724 -2.66932 -19.9249 7.5913 PRESSAVG: 2057000 9.48666 -9.58114 -24.9249 -9.5811 -49.5169 -45.6815 -24.925 -45.6813 26.1823 GPRESSAVG: 2057000 9.69067 -8.96023 -23.9637 -8.3256 -50.6921 -42.8697 -25.0835 -44.2688 26.9954 TIMING: 2057000 CPU: 5963.31, 0.00291544/step Wall: 5963.31, 0.00291544/step, 2.38337 hours remaining, 208.304688 MB of memory in use. ENERGY: 2057000 754.1018 2057.4163 1900.1494 106.1795 -206212.3690 17821.8998 0.0000 0.0000 34401.5446 -149171.0775 300.4372 -183572.6221 -149070.9707 299.5443 -97.8841 -70.1678 558299.4706 -4.6160 -4.6687 PRESSURE: 2057200 57.3998 57.6198 -7.05594 57.6214 6.94588 -113.927 -7.0555 -113.927 -17.5084 GPRESSURE: 2057200 126.096 133.767 88.3631 3.82648 -5.6861 -162.253 -76.0198 -130.26 25.2504 PRESSAVG: 2057200 15.1457 -11.6987 14.888 -11.6986 -13.6278 -8.48169 14.888 -8.48169 -7.47124 GPRESSAVG: 2057200 15.9401 -10.9754 13.4937 -11.6478 -12.4103 -8.69211 14.4514 -9.94584 -9.54573 TIMING: 2057200 CPU: 5963.89, 0.00290235/step Wall: 5963.89, 0.00290235/step, 2.37251 hours remaining, 208.304688 MB of memory in use. ENERGY: 2057200 763.5963 2090.6312 1908.8239 98.6539 -206262.0173 17922.7698 0.0000 0.0000 34374.4055 -149103.1368 300.2002 -183477.5423 -149009.8238 299.8224 15.6125 48.5533 558796.5709 -1.9844 -2.0053 PRESSURE: 2057400 -197.658 -80.1508 -143.604 -80.1505 -296.334 77.5574 -143.604 77.557 -226.24 GPRESSURE: 2057400 -168.752 4.43315 -152.303 -126.208 -244.046 117.582 -141.57 62.9779 -217.422 PRESSAVG: 2057400 -51.9578 6.84074 -23.5528 6.84075 -26.7312 -4.28887 -23.5529 -4.2889 87.8434 GPRESSAVG: 2057400 -53.0825 6.26899 -24.5195 7.36253 -26.322 -6.82675 -22.3281 -2.33306 88.902 TIMING: 2057400 CPU: 5964.47, 0.00289138/step Wall: 5964.47, 0.00289138/step, 2.36338 hours remaining, 208.304688 MB of memory in use. ENERGY: 2057400 768.7012 2117.4785 1907.3312 109.6687 -205762.1063 17548.4077 0.0000 0.0000 34186.3145 -149124.2045 298.5576 -183310.5191 -149023.7837 299.6516 -240.0774 -210.0731 559066.3141 3.0514 3.1659 PRESSURE: 2057600 170.592 -31.1259 -80.8831 -31.126 146.873 -108.358 -80.8829 -108.36 -50.6892 GPRESSURE: 2057600 223.821 -30.7263 -84.1844 -72.1287 168.919 -169.78 -51.1618 -90.2406 -25.3508 PRESSAVG: 2057600 -25.1658 15.2745 22.6673 15.2746 -26.1957 24.8306 22.6673 24.8306 31.2454 GPRESSAVG: 2057600 -25.5227 15.1459 23.0271 13.8292 -25.7066 28.2252 21.2262 22.7595 30.8881 TIMING: 2057600 CPU: 5965.05, 0.00290856/step Wall: 5965.05, 0.00290856/step, 2.37726 hours remaining, 208.304688 MB of memory in use. ENERGY: 2057600 740.3201 2020.7964 1934.6143 126.2837 -206237.5756 17928.8126 0.0000 0.0000 34231.7735 -149254.9749 298.9546 -183486.7484 -149155.4487 299.0056 88.9254 122.4630 557199.8245 -6.7054 -6.7804 PRESSURE: 2057800 -186.777 168.321 137.023 168.321 -104.121 127.946 137.022 127.946 -341.605 GPRESSURE: 2057800 -152.243 159.581 30.7784 86.1891 -83.7307 87.2598 163.692 129.366 -289.001 PRESSAVG: 2057800 -38.7239 40.9548 -27.8291 40.9548 12.7418 36.9808 -27.8291 36.9809 0.377146 GPRESSAVG: 2057800 -37.8989 40.1078 -28.5112 40.6524 11.6425 34.5868 -25.8785 37.6125 0.0422927 TIMING: 2057800 CPU: 5965.64, 0.0029116/step Wall: 5965.64, 0.0029116/step, 2.37958 hours remaining, 208.304688 MB of memory in use. ENERGY: 2057800 779.7475 2083.0942 1915.6904 102.6828 -206164.4234 17733.3224 0.0000 0.0000 34447.3453 -149102.5408 300.8372 -183549.8861 -149001.9916 299.5457 -210.8345 -174.9916 558543.2564 -8.5350 -8.7380 PRESSURE: 2058000 -133.369 69.5606 -42.883 69.5611 197.39 -12.6644 -42.8819 -12.6636 147.667 GPRESSURE: 2058000 -92.659 111.096 -134.668 76.381 209.198 -52.778 -29.9224 34.2779 184.832 PRESSAVG: 2058000 -4.35009 6.76682 4.43651 6.76681 -5.56944 20.4984 4.4365 20.4985 16.9479 GPRESSAVG: 2058000 -4.91878 7.28381 5.1487 6.68519 -5.73048 21.4198 3.24576 21.378 17.459 TIMING: 2058000 CPU: 5966.22, 0.0028951/step Wall: 5966.22, 0.0028951/step, 2.36594 hours remaining, 208.304688 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: 2058000 777.2067 2129.4301 1916.7954 115.8271 -206467.0277 17966.9321 0.0000 0.0000 34402.0011 -149158.8352 300.4412 -183560.8363 -149060.8869 299.3686 70.5625 100.4569 556330.8286 2.3428 2.2699 PRESSURE: 2058200 56.323 12.9634 51.8345 12.9641 -189.891 -12.4903 51.8337 -12.4919 222.07 GPRESSURE: 2058200 66.925 11.4555 85.0103 39.6903 -181.152 11.884 -82.5102 40.2994 296.11 PRESSAVG: 2058200 -25.2169 -36.2111 -34.8234 -36.211 -56.6615 -14.2116 -34.8234 -14.2115 59.7395 GPRESSAVG: 2058200 -24.9948 -35.674 -35.2474 -35.8926 -56.9882 -12.6555 -35.2593 -14.7461 59.6701 TIMING: 2058200 CPU: 5966.79, 0.00289655/step Wall: 5966.79, 0.00289655/step, 2.36697 hours remaining, 208.304688 MB of memory in use. ENERGY: 2058200 712.5393 2080.8745 1942.2544 117.0204 -206667.6585 18100.9886 0.0000 0.0000 34363.4446 -149350.5367 300.1045 -183713.9814 -149253.4595 298.9604 29.5008 60.6274 558144.9948 -7.3796 -7.4376 PRESSURE: 2058400 -237.364 -156.063 151.152 -156.063 -110.027 -88.6431 151.152 -88.6449 25.7881 GPRESSURE: 2058400 -216.067 -208.077 112.681 -186.821 -77.1073 -74.9668 134.09 -18.2628 69.0986 PRESSAVG: 2058400 -42.2777 -63.1885 -26.9442 -63.1885 0.942795 -12.1494 -26.9442 -12.1494 71.085 GPRESSAVG: 2058400 -43.1836 -63.8097 -27.8863 -63.625 1.1149 -13.7379 -26.1862 -12.5627 72.3495 TIMING: 2058400 CPU: 5967.38, 0.00292203/step Wall: 5967.38, 0.00292203/step, 2.38762 hours remaining, 208.304688 MB of memory in use. ENERGY: 2058400 768.5814 2078.9121 1933.1496 107.4625 -206230.3901 17887.2660 0.0000 0.0000 34004.7185 -149450.3000 296.9717 -183455.0185 -149353.2289 298.8200 -107.2010 -74.6918 558626.3807 9.9167 10.0936 PRESSURE: 2058600 -8.93604 -32.6776 -0.203154 -32.6768 152.24 49.3553 -0.203624 49.3555 361.662 GPRESSURE: 2058600 106.688 2.87528 -41.0726 -4.9253 157.831 108.017 23.0033 1.16275 354.463 PRESSAVG: 2058600 9.69189 -32.9176 -29.3598 -32.9176 -38.4613 -17.1879 -29.3598 -17.1879 44.3818 GPRESSAVG: 2058600 11.1643 -32.4408 -27.2517 -33.7584 -39.0531 -17.3391 -29.6153 -17.7209 43.0254 TIMING: 2058600 CPU: 5967.96, 0.00290585/step Wall: 5967.96, 0.00290585/step, 2.37424 hours remaining, 208.304688 MB of memory in use. ENERGY: 2058600 696.6757 2091.5802 1949.0708 115.0183 -206751.9300 18211.0458 0.0000 0.0000 34155.6740 -149532.8651 298.2900 -183688.5391 -149443.1730 297.7346 168.3219 206.3275 557783.7100 5.2041 5.0455 PRESSURE: 2058800 -122.078 177.098 101.68 177.097 -62.7527 -50.9002 101.68 -50.9001 -113.013 GPRESSURE: 2058800 -99.9651 112.541 123.587 164.372 -101.823 42.7108 51.7844 -90.3521 -16.8037 PRESSAVG: 2058800 -6.97837 40.4606 -50.6125 40.4607 0.444228 8.8385 -50.6125 8.83836 -54.5692 GPRESSAVG: 2058800 -7.13377 40.2758 -52.1936 41.4645 0.8233 9.45898 -48.3641 9.30022 -54.1471 TIMING: 2058800 CPU: 5968.54, 0.00290173/step Wall: 5968.54, 0.00290173/step, 2.37071 hours remaining, 208.304688 MB of memory in use. ENERGY: 2058800 734.0482 2075.2234 1925.8381 115.6097 -205822.8428 17465.2878 0.0000 0.0000 34228.9017 -149277.9339 298.9295 -183506.8356 -149182.9187 298.3171 -99.2813 -72.8639 556936.8020 -20.3678 -20.1525 PRESSURE: 2059000 131.678 -152.684 44.2955 -152.683 -86.2353 85.3331 44.2964 85.3343 -104.702 GPRESSURE: 2059000 167.796 -237.368 -67.6944 -128.811 -19.7097 72.837 78.034 78.541 -115.275 PRESSAVG: 2059000 -21.1411 26.5962 -39.2297 26.5962 53.9021 17.2586 -39.2298 17.2585 -38.0403 GPRESSAVG: 2059000 -20.9626 25.5782 -40.0798 26.7421 54.0023 16.5283 -42.9589 18.3372 -38.1268 TIMING: 2059000 CPU: 5969.12, 0.00290764/step Wall: 5969.12, 0.00290764/step, 2.37538 hours remaining, 208.304688 MB of memory in use. ENERGY: 2059000 725.0899 2063.7318 1924.5882 121.8602 -205955.7424 17813.7276 0.0000 0.0000 34029.6284 -149277.1163 297.1892 -183306.7447 -149177.5199 298.8653 -19.7534 10.9369 559359.2139 -1.7598 -1.6957 PRESSURE: 2059200 -84.0434 66.472 105.913 66.4718 258.009 64.9746 105.914 64.9754 70.0813 GPRESSURE: 2059200 9.44053 42.4235 125.473 48.5722 290.048 50.1014 -50.2693 27.6844 41.4265 PRESSAVG: 2059200 -17.3443 -26.1612 2.80552 -26.1613 45.8834 -44.0683 2.80556 -44.0682 -18.0314 GPRESSAVG: 2059200 -16.9863 -26.4919 3.36825 -24.8324 45.7324 -43.8398 4.46318 -45.592 -18.0431 TIMING: 2059200 CPU: 5969.7, 0.00289679/step Wall: 5969.7, 0.00289679/step, 2.36636 hours remaining, 208.304688 MB of memory in use. ENERGY: 2059200 749.5238 2092.9590 1942.2937 129.1955 -206581.1558 18158.0094 0.0000 0.0000 34231.2285 -149277.9459 298.9498 -183509.1744 -149188.8175 299.0661 81.3491 113.6385 557399.7101 3.5026 3.5677 PRESSURE: 2059400 -104.946 -91.2104 24.738 -91.2108 -68.4663 -72.5638 24.7367 -72.5608 -322.825 GPRESSURE: 2059400 -39.322 -198.606 8.97621 -24.2953 -15.5351 -171.215 78.5231 -2.73826 -325.167 PRESSAVG: 2059400 4.32155 -6.83177 -47.3292 -6.83182 57.1299 -5.05353 -47.3292 -5.05353 8.68099 GPRESSAVG: 2059400 4.51732 -6.17538 -45.808 -8.68858 57.1259 -5.43428 -47.1037 -5.96522 8.61621 TIMING: 2059400 CPU: 5970.28, 0.00289746/step Wall: 5970.28, 0.00289746/step, 2.36674 hours remaining, 208.304688 MB of memory in use. ENERGY: 2059400 752.3643 2090.9438 1935.8936 121.0498 -205963.2966 17659.2126 0.0000 0.0000 34268.6019 -149135.2306 299.2762 -183403.8325 -149035.1408 299.7295 -165.4126 -126.6748 558001.3363 23.3775 23.4198 PRESSURE: 2059600 64.8649 -142.881 -66.0949 -142.881 -176.934 -23.1293 -66.0961 -23.1298 -74.2666 GPRESSURE: 2059600 142.736 -18.1571 28.2977 -163.724 -158.133 -65.9144 -185.042 -41.7014 -65.4755 PRESSAVG: 2059600 37.9597 -18.0806 46.06 -18.0807 -12.7434 -51.0092 46.0601 -51.0093 -13.6247 GPRESSAVG: 2059600 37.0136 -18.4275 45.8431 -17.4839 -12.6788 -50.6836 45.844 -49.7716 -13.3286 TIMING: 2059600 CPU: 5970.87, 0.0029231/step Wall: 5970.87, 0.0029231/step, 2.38752 hours remaining, 208.304688 MB of memory in use. ENERGY: 2059600 781.9973 2103.4355 1906.6540 98.6550 -206364.7175 17943.3084 0.0000 0.0000 34371.7598 -149158.9075 300.1771 -183530.6673 -149058.5438 299.1762 -62.1118 -26.9574 557605.5130 3.8639 3.6687 PRESSURE: 2059800 44.0321 36.0668 50.8639 36.0653 94.9342 12.2569 50.8649 12.2565 7.96805 GPRESSURE: 2059800 35.3875 -13.5584 133.013 39.0098 105.066 99.4785 -63.7499 -17.1298 108.263 PRESSAVG: 2059800 32.6827 39.8283 5.49821 39.8282 -50.7279 -23.3958 5.49814 -23.3957 -7.21931 GPRESSAVG: 2059800 32.4579 40.2234 5.35506 40.8867 -49.7887 -23.5425 6.5706 -23.3041 -6.79976 TIMING: 2059800 CPU: 5971.44, 0.00289646/step Wall: 5971.44, 0.00289646/step, 2.3656 hours remaining, 208.304688 MB of memory in use. ENERGY: 2059800 697.4393 2098.9707 1938.0477 116.5170 -206132.0866 17720.0995 0.0000 0.0000 34416.9134 -149144.0991 300.5715 -183561.0124 -149048.0672 300.0009 48.9781 82.9054 555695.9252 -8.4215 -8.0435 PRESSURE: 2060000 -57.9276 -60.1509 -74.7028 -60.1502 -26.4662 39.583 -74.7027 39.5829 -34.2424 GPRESSURE: 2060000 -26.7327 -41.5309 -108.686 -4.91479 30.7155 97.8718 -83.9127 6.99192 -40.5383 PRESSAVG: 2060000 -28.1898 11.8003 8.69531 11.8002 42.8635 11.8415 8.69531 11.8415 45.6462 GPRESSAVG: 2060000 -28.1023 13.0196 10.4161 10.5565 42.7562 11.5131 7.25287 12.6309 45.3782 TIMING: 2060000 CPU: 5972.03, 0.00290331/step Wall: 5972.03, 0.00290331/step, 2.37104 hours remaining, 208.304688 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: 2060000 715.7009 2095.9671 1962.5591 109.1078 -206084.8953 17812.5562 0.0000 0.0000 34454.6487 -148934.3555 300.9010 -183389.0042 -148832.8425 299.8400 -39.5454 -12.1852 558055.3135 20.1066 20.0107 PRESSURE: 2060200 -149.759 73.7368 -108.453 73.7367 27.5505 167.02 -108.452 167.02 -70.7881 GPRESSURE: 2060200 -77.9489 -20.4512 -82.009 156.745 13.9071 121.631 -101.268 202.174 -40.2675 PRESSAVG: 2060200 37.7876 82.6486 -22.6812 82.6485 -22.8058 5.00826 -22.6811 5.00817 -6.28679 GPRESSAVG: 2060200 37.7865 81.4838 -23.914 83.4196 -22.962 7.64029 -21.9478 4.58359 -6.07872 TIMING: 2060200 CPU: 5972.6, 0.00288648/step Wall: 5972.6, 0.00288648/step, 2.35713 hours remaining, 208.304688 MB of memory in use. ENERGY: 2060200 715.7408 2036.9947 1964.5449 120.7670 -205644.3035 17664.7372 0.0000 0.0000 34256.8000 -148884.7188 299.1732 -183141.5188 -148788.2658 300.6169 -64.3322 -34.7698 558722.9499 2.8983 2.9153 LDB: ============= START OF LOAD BALANCING ============== 5975.99 LDB: ============== END OF LOAD BALANCING =============== 5975.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5975.99 LDB: ============= START OF LOAD BALANCING ============== 5976.27 LDB: Largest compute 4793 load 0.021629 is 18.3% of average load 0.117898 LDB: Average compute 0.001747 is 1.5% of average load 0.117898 LDB: TIME 5976.28 LOAD: AVG 0.117898 MAX 0.179753 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 5976.28 LOAD: AVG 0.117898 MAX 0.179753 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: TIME 5976.28 LOAD: AVG 0.117898 MAX 0.179753 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5976.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5976.28 PRESSURE: 2060400 -5.42535 -82.475 168.177 -82.4758 -112.336 -64.9624 168.177 -64.9622 -154.103 GPRESSURE: 2060400 11.207 -58.5029 190.887 -6.58032 -38.9038 -93.3063 189.463 -106.312 -132.455 PRESSAVG: 2060400 11.8698 -28.8732 8.69661 -28.8731 -4.93857 41.099 8.69665 41.099 19.3757 GPRESSAVG: 2060400 11.6952 -28.7158 8.45178 -28.2242 -5.90638 40.2962 7.61951 41.7808 20.5006 TIMING: 2060400 CPU: 5973.19, 0.00292588/step Wall: 5973.19, 0.00292588/step, 2.38915 hours remaining, 208.871094 MB of memory in use. ENERGY: 2060400 733.0731 2127.0982 1935.4459 98.7470 -205692.5012 17580.8744 0.0000 0.0000 34308.4880 -148908.7745 299.6246 -183217.2625 -148823.8548 300.6527 -90.6212 -53.3839 558165.5775 8.7690 8.7631 PRESSURE: 2060600 93.9409 -159.899 -98.171 -159.899 -12.8417 -43.3997 -98.1695 -43.4011 60.4454 GPRESSURE: 2060600 49.4135 -126.257 -140.336 -263.223 77.636 -100.728 -66.4869 -56.0725 111.785 PRESSAVG: 2060600 -15.0922 3.26954 -7.43485 3.26961 24.5856 16.3667 -7.43479 16.3666 -19.6842 GPRESSAVG: 2060600 -14.8312 4.17033 -8.66079 1.45905 25.0937 16.3072 -4.75679 14.246 -20.757 TIMING: 2060600 CPU: 5973.77, 0.00289438/step Wall: 5973.77, 0.00289438/step, 2.36326 hours remaining, 209.070312 MB of memory in use. ENERGY: 2060600 804.8149 2049.1821 1927.6557 121.8552 -206197.8847 17937.5036 0.0000 0.0000 34400.6235 -148956.2497 300.4292 -183356.8733 -148858.8954 299.7610 47.1815 79.6115 557612.4640 -3.3970 -3.4981 PRESSURE: 2060800 18.5705 -58.8627 30.9118 -58.8617 -41.3697 47.9229 30.9113 47.9251 -207.507 GPRESSURE: 2060800 14.6871 -36.4691 25.9106 -48.3702 3.20798 -7.47843 -26.9631 28.1918 -148.848 PRESSAVG: 2060800 -23.8639 29.9191 23.3649 29.9192 -0.361253 -9.37181 23.3649 -9.3719 -12.2051 GPRESSAVG: 2060800 -22.7126 29.4421 23.7523 32.0645 -0.149805 -10.3962 22.6907 -9.35345 -13.0367 TIMING: 2060800 CPU: 5974.34, 0.00288275/step Wall: 5974.34, 0.00288275/step, 2.35361 hours remaining, 209.273438 MB of memory in use. ENERGY: 2060800 753.8256 2061.0180 1940.7036 107.2512 -205947.4034 17760.8754 0.0000 0.0000 34248.1351 -149075.5945 299.0975 -183323.7297 -148976.1656 299.9510 -76.7689 -43.6511 559182.2645 -12.1434 -11.9664 PRESSURE: 2061000 334.255 11.1983 9.43351 11.1973 298.142 -377.35 9.43475 -377.349 69.3197 GPRESSURE: 2061000 355.62 21.5486 -56.6991 -3.44944 333.386 -373.259 141.619 -372.728 108.856 PRESSAVG: 2061000 30.2512 -8.79087 52.5936 -8.79087 40.6741 -38.9756 52.5936 -38.9756 -37.2872 GPRESSAVG: 2061000 30.9303 -7.37662 54.1564 -11.9908 39.8378 -38.4839 52.4663 -37.0214 -37.378 TIMING: 2061000 CPU: 5974.92, 0.00288304/step Wall: 5974.92, 0.00288304/step, 2.35368 hours remaining, 209.273438 MB of memory in use. ENERGY: 2061000 746.2719 2058.4892 1948.3061 118.7689 -206409.8538 18234.7149 0.0000 0.0000 34156.1120 -149147.1909 298.2938 -183303.3029 -149056.6595 299.8654 233.9056 265.9542 557398.8851 11.2127 11.1300 PRESSURE: 2061200 41.0348 12.2543 173.461 12.2547 317.749 6.26527 173.459 6.26644 165.088 GPRESSURE: 2061200 75.905 -39.2835 138.435 58.5848 318.786 -10.5225 150.1 -34.6038 220.057 PRESSAVG: 2061200 -30.4763 28.3137 35.1882 28.3137 6.52345 -31.3272 35.1882 -31.3271 -12.2874 GPRESSAVG: 2061200 -31.6265 27.4868 34.8584 30.6972 7.62759 -32.673 33.3151 -30.1938 -12.3485 TIMING: 2061200 CPU: 5975.49, 0.00286242/step Wall: 5975.49, 0.00286242/step, 2.33669 hours remaining, 209.273438 MB of memory in use. ENERGY: 2061200 691.2467 2076.1221 1972.6339 116.5486 -206416.7656 18005.1693 0.0000 0.0000 34265.9085 -149289.1367 299.2527 -183555.0451 -149200.5034 299.6483 174.6239 204.9160 558244.8712 -12.0801 -12.1158 PRESSURE: 2061400 -92.7691 -89.9393 -96.0804 -89.9382 -219.158 70.344 -96.0787 70.3452 -164.175 GPRESSURE: 2061400 -37.0172 -7.3181 -103.851 -197.828 -232.36 87.7076 -70.9825 41.8059 -107.315 PRESSAVG: 2061400 -20.3192 14.7526 -3.97181 14.7527 66.1574 -33.3572 -3.97178 -33.3573 -41.5447 GPRESSAVG: 2061400 -19.9851 12.6511 -5.90468 16.1626 65.5472 -31.4405 -0.521404 -35.9153 -41.5128 TIMING: 2061400 CPU: 5976.07, 0.00289677/step Wall: 5976.07, 0.00289677/step, 2.36457 hours remaining, 209.273438 MB of memory in use. ENERGY: 2061400 717.4942 2053.7641 1948.7101 127.9538 -205935.4311 17562.2818 0.0000 0.0000 34236.1561 -149289.0709 298.9929 -183525.2271 -149194.9174 298.7990 -158.7006 -125.5641 558396.7017 1.4312 1.3498 PRESSURE: 2061600 21.5962 51.293 -93.4031 51.2928 52.4377 36.6192 -93.406 36.6181 58.4237 GPRESSURE: 2061600 30.6099 28.3646 -143.597 138.816 135.244 33.5426 7.05832 50.736 59.3155 PRESSAVG: 2061600 0.52507 -4.915 -24.8845 -4.91501 29.2019 -41.889 -24.8845 -41.889 29.9375 GPRESSAVG: 2061600 0.326093 -3.06933 -23.8119 -5.7031 28.8987 -41.1657 -27.1175 -41.834 30.7176 TIMING: 2061600 CPU: 5976.65, 0.00289261/step Wall: 5976.65, 0.00289261/step, 2.36102 hours remaining, 209.273438 MB of memory in use. ENERGY: 2061600 712.5679 2037.6725 1955.2817 114.9605 -206125.9233 17812.6589 0.0000 0.0000 34245.3809 -149247.4009 299.0734 -183492.7818 -149156.4902 298.8118 44.1525 75.0563 557874.7991 19.8881 19.9808 PRESSURE: 2061800 264.346 -20.6562 147.932 -20.657 89.4071 25.3299 147.931 25.3299 -26.6637 GPRESSURE: 2061800 271.817 -45.7052 231.906 -54.2876 126.973 -63.2435 151.526 156.123 32.6285 PRESSAVG: 2061800 39.1518 -21.2632 -11.7906 -21.2632 -61.3215 22.2189 -11.7906 22.2189 4.22098 GPRESSAVG: 2061800 39.8599 -22.0347 -12.4432 -22.1863 -61.1377 22.3759 -10.2241 22.2305 4.3661 TIMING: 2061800 CPU: 5977.22, 0.00286659/step Wall: 5977.22, 0.00286659/step, 2.33962 hours remaining, 209.273438 MB of memory in use. ENERGY: 2061800 695.9219 2083.9918 1967.1394 118.6275 -206334.0148 17882.9317 0.0000 0.0000 34305.7414 -149279.6611 299.6006 -183585.4024 -149188.9771 298.9535 109.0297 143.8060 556952.5298 -5.9829 -5.6372 PRESSURE: 2062000 180.846 114.413 -53.0101 114.414 -49.2812 43.3406 -53.0106 43.3379 61.4624 GPRESSURE: 2062000 200.928 113.197 -81.2358 121.652 14.7004 -63.1715 -26.8818 97.9437 84.0442 PRESSAVG: 2062000 55.533 14.6245 -0.822461 14.6245 -16.4067 38.8559 -0.822439 38.8558 -52.3517 GPRESSAVG: 2062000 55.8597 14.5984 0.286004 14.6369 -16.3938 38.6695 -2.90543 39.7978 -52.2911 TIMING: 2062000 CPU: 5977.8, 0.00288979/step Wall: 5977.8, 0.00288979/step, 2.35839 hours remaining, 209.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2062000 767.9021 2047.5746 1965.7021 105.0122 -206130.0138 17872.7076 0.0000 0.0000 34025.1803 -149345.9349 297.1504 -183371.1153 -149241.1678 299.0267 64.3423 99.8910 556529.4032 -4.4085 -4.2751 PRESSURE: 2062200 -31.4284 53.1317 -104.408 53.1322 40.5636 -57.8084 -104.406 -57.8087 -301.425 GPRESSURE: 2062200 -5.24171 -18.9534 -109.611 97.8246 14.9207 -130.059 -86.7245 -36.4474 -197.669 PRESSAVG: 2062200 47.3383 21.2077 41.1487 21.2077 -3.41784 -38.6723 41.1488 -38.6723 -31.7304 GPRESSAVG: 2062200 46.2826 22.4312 42.0642 20.8128 -3.88211 -39.5979 39.2821 -37.8956 -30.6368 TIMING: 2062200 CPU: 5978.38, 0.00290007/step Wall: 5978.38, 0.00290007/step, 2.36662 hours remaining, 209.273438 MB of memory in use. ENERGY: 2062200 778.6051 2076.1654 1933.8513 111.2917 -205930.8414 17706.6832 0.0000 0.0000 34413.8429 -148910.4018 300.5446 -183324.2447 -148815.9510 299.1741 -97.4299 -62.6632 557466.3850 4.0633 3.9212 PRESSURE: 2062400 -151.039 176.641 104.682 176.641 49.6894 -183.305 104.682 -183.303 -110.404 GPRESSURE: 2062400 -131.476 103.396 120.139 225.193 102.837 -289.759 110.145 -206.506 -81.2357 PRESSAVG: 2062400 -33.5318 21.8087 27.3614 21.8088 2.7085 -37.4141 27.3613 -37.4142 33.6192 GPRESSAVG: 2062400 -32.4418 19.9562 25.9662 23.664 3.37844 -36.4567 28.2904 -40.732 31.9332 TIMING: 2062400 CPU: 5978.96, 0.00287595/step Wall: 5978.96, 0.00287595/step, 2.34678 hours remaining, 209.273438 MB of memory in use. ENERGY: 2062400 735.2544 2115.9426 1917.5241 121.8247 -206000.6650 17514.0478 0.0000 0.0000 34523.6358 -149072.4357 301.5035 -183596.0714 -148973.5604 300.1252 -70.5847 -36.6249 557170.0932 0.9320 0.9566 PRESSURE: 2062600 -1.72495 -31.3308 -126.211 -31.3299 163.567 -65.3829 -126.211 -65.3833 -254.576 GPRESSURE: 2062600 21.3337 -197.413 -34.1467 18.4834 162.11 -106.856 -146.987 -133.207 -175.466 PRESSAVG: 2062600 -12.8829 30.26 24.4385 30.2599 5.87553 3.51251 24.4385 3.51244 -0.653631 GPRESSAVG: 2062600 -12.3183 31.9933 25.1853 28.8955 4.88044 3.00351 23.8517 6.76177 -0.494288 TIMING: 2062600 CPU: 5979.53, 0.00288447/step Wall: 5979.53, 0.00288447/step, 2.35357 hours remaining, 209.273438 MB of memory in use. ENERGY: 2062600 783.6984 2053.3021 1950.0425 111.9730 -205993.4368 17681.9101 0.0000 0.0000 34165.6472 -149246.8636 298.3771 -183412.5108 -149150.0217 299.8409 -30.9112 2.6593 557019.5357 -2.5537 -2.6440 PRESSURE: 2062800 -141.26 39.6449 17.1027 39.6448 -4.69258 -205.789 17.1023 -205.789 76.3856 GPRESSURE: 2062800 -148.196 -20.8623 50.2276 92.9255 1.60138 -59.676 31.3416 -262.486 176.414 PRESSAVG: 2062800 11.227 -52.7562 45.7129 -52.7563 -6.29915 -9.15851 45.7129 -9.15863 24.3953 GPRESSAVG: 2062800 9.79323 -53.108 44.9991 -52.3221 -5.02004 -6.63996 46.5198 -10.3536 24.1553 TIMING: 2062800 CPU: 5980.11, 0.0028783/step Wall: 5980.11, 0.0028783/step, 2.34837 hours remaining, 209.273438 MB of memory in use. ENERGY: 2062800 743.8679 2073.9726 1949.8887 116.7803 -205805.8668 17608.6792 0.0000 0.0000 34169.6906 -149142.9875 298.4124 -183312.6781 -149050.0755 300.0184 -23.1891 9.9398 556974.8359 9.7744 9.6428 PRESSURE: 2063000 -37.3851 -210.122 12.1511 -210.122 -14.6079 37.5093 12.15 37.5088 -483.134 GPRESSURE: 2063000 -43.1044 -156.728 -77.4553 -180.555 1.53892 18.7481 7.67156 50.2465 -405.699 PRESSAVG: 2063000 -0.0390915 15.065 7.69204 15.0651 12.0947 -8.18087 7.692 -8.18086 18.8766 GPRESSAVG: 2063000 0.643315 15.09 6.53853 14.314 11.6779 -10.9332 7.14155 -6.64441 18.6569 TIMING: 2063000 CPU: 5980.68, 0.00287053/step Wall: 5980.68, 0.00287053/step, 2.34188 hours remaining, 209.273438 MB of memory in use. ENERGY: 2063000 777.8426 2080.5436 1979.6617 112.2640 -206233.8207 17791.2756 0.0000 0.0000 34123.4550 -149368.7782 298.0086 -183492.2332 -149275.4247 299.4364 -178.3756 -149.0883 557736.1933 10.3107 10.3260 PRESSURE: 2063200 -122.261 1.29196 -63.067 1.29318 128.103 44.0008 -63.0661 44.0011 -133.221 GPRESSURE: 2063200 -58.3994 -61.5103 -81.0496 64.2435 152.133 -30.1939 -84.8372 47.7311 -126.369 PRESSAVG: 2063200 31.3501 -19.6589 -61.5629 -19.659 43.6145 -41.651 -61.563 -41.6511 -66.1262 GPRESSAVG: 2063200 31.7792 -23.1835 -61.7579 -17.3417 42.7636 -41.8447 -59.06 -42.9091 -65.9135 TIMING: 2063200 CPU: 5981.26, 0.00288457/step Wall: 5981.26, 0.00288457/step, 2.35317 hours remaining, 209.273438 MB of memory in use. ENERGY: 2063200 744.1596 2074.1116 1975.2406 122.1055 -206424.3633 17852.9580 0.0000 0.0000 34238.0932 -149417.6947 299.0098 -183655.7879 -149317.2541 298.3626 -42.4598 -10.8784 558067.5571 2.9462 2.8764 PRESSURE: 2063400 -231.706 -14.8401 -34.0481 -14.8415 76.2983 64.5218 -34.0483 64.5233 -182.528 GPRESSURE: 2063400 -174.5 21.5711 -39.658 -25.2163 95.5314 134.912 19.5788 49.4725 -147.13 PRESSAVG: 2063400 -45.9026 27.9019 -43.821 27.9018 42.2068 17.4912 -43.8211 17.4911 -16.842 GPRESSAVG: 2063400 -45.7536 29.8882 -42.7645 27.758 42.0596 18.7394 -45.8248 18.0086 -16.6584 TIMING: 2063400 CPU: 5981.84, 0.00289511/step Wall: 5981.84, 0.00289511/step, 2.36161 hours remaining, 209.273438 MB of memory in use. ENERGY: 2063400 734.5353 2045.7539 1952.1867 124.1950 -206219.0420 17606.0689 0.0000 0.0000 34268.2287 -149488.0734 299.2730 -183756.3021 -149384.5051 299.0430 -112.6452 -75.3662 556323.9212 -6.8459 -6.7841 PRESSURE: 2063600 -81.007 -83.7848 66.364 -83.7832 -192.162 31.3913 66.3641 31.3904 -320.797 GPRESSURE: 2063600 -91.2578 -73.6416 103.731 -129.43 -132.356 32.3055 45.7849 65.8255 -269.858 PRESSAVG: 2063600 39.9962 -45.3862 48.1499 -45.3863 11.0212 -6.80679 48.1499 -6.80671 -31.8767 GPRESSAVG: 2063600 37.2257 -45.3932 49.486 -46.3541 13.579 -5.9277 47.5508 -9.51134 -31.9047 TIMING: 2063600 CPU: 5982.42, 0.00288933/step Wall: 5982.42, 0.00288933/step, 2.35673 hours remaining, 209.273438 MB of memory in use. ENERGY: 2063600 764.1697 2128.5188 1959.3009 125.6437 -206129.2559 17584.1993 0.0000 0.0000 34069.5030 -149497.9205 297.5374 -183567.4235 -149405.8693 298.9334 -197.9884 -164.4908 558208.6312 6.3802 6.3000 PRESSURE: 2063800 76.861 -175.264 234.496 -175.265 124.71 -93.3992 234.496 -93.3986 -199.174 GPRESSURE: 2063800 113.554 -206.594 236.904 -209.758 80.0396 -62.082 234.801 -169.899 -90.4481 PRESSAVG: 2063800 22.4469 -77.2803 53.4046 -77.2803 -27.4253 -7.61878 53.4046 -7.61893 28.1424 GPRESSAVG: 2063800 23.7149 -78.3444 52.681 -75.9176 -28.5263 -12.2189 53.7857 -3.96937 28.731 TIMING: 2063800 CPU: 5983, 0.00289086/step Wall: 5983, 0.00289086/step, 2.35782 hours remaining, 209.273438 MB of memory in use. ENERGY: 2063800 743.4315 2092.7750 1921.4377 108.8934 -206764.4026 18099.9622 0.0000 0.0000 34242.1569 -149555.7459 299.0453 -183797.9028 -149462.2927 298.7906 0.7988 34.3817 557776.2030 7.7213 7.9732 PRESSURE: 2064000 -397.097 11.0277 117.885 11.0274 -71.3428 22.7585 117.885 22.7577 157.853 GPRESSURE: 2064000 -316.695 22.3998 129.686 -23.6282 -61.1835 22.1887 75.4987 -5.27075 159.333 PRESSAVG: 2064000 -15.2892 -34.0649 25.5666 -34.0648 18.8122 1.07498 25.5667 1.07497 20.9369 GPRESSAVG: 2064000 -14.6945 -33.1387 23.1244 -37.2271 17.7277 6.27489 27.1081 -3.14016 21.8554 TIMING: 2064000 CPU: 5983.57, 0.00288626/step Wall: 5983.57, 0.00288626/step, 2.3539 hours remaining, 209.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2064000 717.4681 2123.5939 1961.5442 106.1915 -206239.6195 17793.5111 0.0000 0.0000 34219.7418 -149317.5688 298.8495 -183537.3106 -149222.5112 299.2034 -103.5290 -72.8485 558701.0754 8.1533 8.2962 PRESSURE: 2064200 162.606 -35.9455 128.974 -35.9448 -103.321 113.447 128.974 113.444 136.285 GPRESSURE: 2064200 248.076 -66.9796 194.678 -56.5928 -55.1868 78.8345 78.9395 54.2294 102.4 PRESSAVG: 2064200 -62.2218 -42.9657 -16.991 -42.9657 10.0036 -2.47781 -16.9908 -2.47787 1.20867 GPRESSAVG: 2064200 -62.9374 -42.9414 -16.7015 -41.9369 10.4985 -5.42436 -18.2933 0.357957 1.20592 TIMING: 2064200 CPU: 5984.15, 0.00287805/step Wall: 5984.15, 0.00287805/step, 2.34705 hours remaining, 209.273438 MB of memory in use. ENERGY: 2064200 755.0290 2111.8325 1904.9595 118.3934 -206511.4746 18034.0528 0.0000 0.0000 34299.2849 -149287.9225 299.5442 -183587.2075 -149190.6657 299.3836 65.1901 98.4299 556713.1349 -17.0032 -17.0777 LDB: ============= START OF LOAD BALANCING ============== 5987.53 LDB: ============== END OF LOAD BALANCING =============== 5987.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5987.53 LDB: ============= START OF LOAD BALANCING ============== 5987.82 LDB: Largest compute 4792 load 0.021537 is 18.3% of average load 0.117890 LDB: Average compute 0.001743 is 1.5% of average load 0.117890 LDB: TIME 5987.82 LOAD: AVG 0.11789 MAX 0.179115 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.195 MB LDB: TIME 5987.82 LOAD: AVG 0.11789 MAX 0.179115 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.195 MB LDB: TIME 5987.82 LOAD: AVG 0.11789 MAX 0.179115 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.195 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5987.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5987.83 PRESSURE: 2064400 115.537 161.377 235.607 161.377 -32.994 -3.66268 235.607 -3.66257 -213.599 GPRESSURE: 2064400 130.028 103.104 229.3 175.076 24.6639 -90.2854 175.406 9.39529 -185.443 PRESSAVG: 2064400 62.5791 15.3753 53.0839 15.3754 16.4822 19.6643 53.084 19.6642 -32.1838 GPRESSAVG: 2064400 62.7483 15.8524 53.8705 16.6781 17.6377 19.9139 54.0089 20.3789 -33.3335 TIMING: 2064400 CPU: 5984.73, 0.00292533/step Wall: 5984.73, 0.00292533/step, 2.38544 hours remaining, 208.101562 MB of memory in use. ENERGY: 2064400 748.9309 2083.3167 1921.7883 112.4364 -205803.1724 17659.8488 0.0000 0.0000 34170.5331 -149106.3182 298.4198 -183276.8513 -149014.1887 299.6697 -43.6851 -10.2502 557302.4479 15.6258 15.6842 PRESSURE: 2064600 -157.915 113.031 -8.52545 113.031 54.9131 -26.5839 -8.52589 -26.5837 -41.6427 GPRESSURE: 2064600 -115.827 29.718 21.8921 232.164 90.2263 -78.7942 -22.706 -10.8135 -22.374 PRESSAVG: 2064600 32.7136 -18.8029 66.6693 -18.803 -58.1591 48.8753 66.6692 48.8753 -11.7427 GPRESSAVG: 2064600 32.7884 -17.8797 66.4768 -19.9996 -58.3028 49.9304 66.7095 46.4842 -11.2561 TIMING: 2064600 CPU: 5985.31, 0.00288569/step Wall: 5985.31, 0.00288569/step, 2.35296 hours remaining, 208.101562 MB of memory in use. ENERGY: 2064600 753.7332 2105.5361 1932.8343 109.4686 -206013.3724 17752.5867 0.0000 0.0000 34342.8071 -149016.4065 299.9243 -183359.2136 -148915.2065 299.2667 -48.2150 -15.9915 558256.4232 -12.3961 -12.2568 PRESSURE: 2064800 320.063 56.073 -118.017 56.0739 -116.028 -6.22307 -118.017 -6.2223 0.880066 GPRESSURE: 2064800 382.626 17.2089 -88.3566 93.4866 -59.2244 -88.7935 -173.981 -17.8837 -9.05265 PRESSAVG: 2064800 -19.9388 6.70696 11.5191 6.70698 16.6247 5.8483 11.5191 5.84824 -0.00402552 GPRESSAVG: 2064800 -21.0486 6.77949 12.6641 7.56891 18.3886 3.72766 11.2765 7.02661 -0.475521 TIMING: 2064800 CPU: 5985.88, 0.0028703/step Wall: 5985.88, 0.0028703/step, 2.34025 hours remaining, 208.101562 MB of memory in use. ENERGY: 2064800 731.1827 2091.0930 1941.1357 114.4043 -206196.9582 17899.3435 0.0000 0.0000 34260.8486 -149158.9505 299.2085 -183419.7991 -149058.1347 299.3576 68.3051 104.7828 556995.8580 -1.1061 -1.0452 PRESSURE: 2065000 58.0467 -115.339 -7.23217 -115.34 -197.477 42.4715 -7.2311 42.4709 -233.502 GPRESSURE: 2065000 112.304 -105.654 39.2528 -51.9627 -187.4 -44.1216 -88.0972 89.8336 -191.212 PRESSAVG: 2065000 52.8856 -63.4578 -12.1395 -63.4579 16.4579 62.8788 -12.1394 62.8788 -7.9087 GPRESSAVG: 2065000 54.3598 -65.4005 -11.5411 -63.1399 13.8283 63.6041 -13.6984 62.6222 -6.68826 TIMING: 2065000 CPU: 5986.46, 0.00288763/step Wall: 5986.46, 0.00288763/step, 2.35422 hours remaining, 208.101562 MB of memory in use. ENERGY: 2065000 753.5971 2086.8632 1934.7845 115.4862 -205982.7348 17576.9097 0.0000 0.0000 34194.3208 -149320.7733 298.6275 -183515.0941 -149210.8922 299.2116 -124.3109 -88.7692 556508.8882 20.4783 20.4999 PRESSURE: 2065200 17.7385 44.9584 40.514 44.9581 -277.931 108.01 40.5127 108.009 14.9153 GPRESSURE: 2065200 21.3581 49.7382 45.8703 109.045 -216.28 11.8106 71.758 101.152 54.2475 PRESSAVG: 2065200 -45.3066 -5.46113 -8.48476 -5.46112 -17.7356 33.4545 -8.48485 33.4545 19.6461 GPRESSAVG: 2065200 -47.0384 -6.16236 -8.29449 -5.49994 -16.3976 34.2542 -7.52901 34.9897 20.3589 TIMING: 2065200 CPU: 5987.04, 0.00289521/step Wall: 5987.04, 0.00289521/step, 2.36024 hours remaining, 208.101562 MB of memory in use. ENERGY: 2065200 729.5301 2117.4195 1934.2072 121.3176 -206252.4751 17676.9730 0.0000 0.0000 34267.0207 -149406.0069 299.2624 -183673.0277 -149308.5414 298.8380 -81.7590 -46.8914 555705.3791 -14.4654 -14.3590 PRESSURE: 2065400 111.755 -171.128 -100.372 -171.129 -128.74 -62.6527 -100.37 -62.6523 208.94 GPRESSURE: 2065400 151.795 -207.07 -115.722 -153.967 -68.3171 -102.139 -54.5794 -11.1285 209.005 PRESSAVG: 2065400 15.4252 26.3614 -0.906379 26.3614 -65.8212 43.1595 -0.906437 43.1595 58.2426 GPRESSAVG: 2065400 15.5556 27.4194 -2.55534 25.4377 -66.6423 41.874 -0.616257 42.5236 58.6625 TIMING: 2065400 CPU: 5987.62, 0.00289849/step Wall: 5987.62, 0.00289849/step, 2.36275 hours remaining, 208.101562 MB of memory in use. ENERGY: 2065400 732.3715 2061.8796 1925.6523 115.4984 -206292.1471 17810.8967 0.0000 0.0000 34263.1898 -149382.6589 299.2290 -183645.8486 -149282.2528 298.8551 63.9850 97.4942 555280.5267 2.6155 2.5253 PRESSURE: 2065600 -177.778 14.063 55.9283 14.0623 62.4476 -47.8208 55.928 -47.8229 467.701 GPRESSURE: 2065600 -106.543 -46.6237 -5.86073 -18.5347 90.401 -25.5457 30.7263 -13.5911 478.397 PRESSAVG: 2065600 -61.7848 -1.61556 -15.4062 -1.61555 8.12469 9.44967 -15.4062 9.44967 41.7693 GPRESSAVG: 2065600 -60.6537 -1.50103 -16.3738 -1.04694 8.51871 9.96235 -16.3742 8.96639 40.1586 TIMING: 2065600 CPU: 5988.2, 0.00289851/step Wall: 5988.2, 0.00289851/step, 2.36261 hours remaining, 208.101562 MB of memory in use. ENERGY: 2065600 729.4423 2055.3140 1942.4083 108.7757 -206597.7437 17966.2153 0.0000 0.0000 34389.0045 -149406.5837 300.3277 -183795.5882 -149314.9337 298.9590 117.4571 154.0847 555552.0229 -3.9636 -3.9921 PRESSURE: 2065800 170.916 69.8156 -15.2635 69.8151 238.753 -122.747 -15.2639 -122.746 20.5026 GPRESSURE: 2065800 209.763 108.721 50.9853 14.8238 273.557 -66.6504 -87.0291 -71.5524 52.3497 PRESSAVG: 2065800 -12.1827 14.0686 47.583 14.0686 93.8631 3.36504 47.583 3.36521 -62.9704 GPRESSAVG: 2065800 -12.3239 13.8372 46.6685 13.9655 94.397 3.69492 48.6125 3.42487 -63.3929 TIMING: 2065800 CPU: 5988.78, 0.00290246/step Wall: 5988.78, 0.00290246/step, 2.36567 hours remaining, 208.101562 MB of memory in use. ENERGY: 2065800 707.5554 2048.4220 1952.1162 118.2120 -206743.5634 18030.4521 0.0000 0.0000 34253.0934 -149633.7123 299.1408 -183886.8057 -149540.3355 298.3857 143.3905 178.5567 557597.2254 6.2367 6.2267 PRESSURE: 2066000 -54.4026 -203.044 -1.84608 -203.043 12.0329 37.1343 -1.84697 37.135 -39.4177 GPRESSURE: 2066000 -68.0229 -211.828 53.1414 -127.694 24.6648 -3.40297 4.0528 20.7922 53.2376 PRESSAVG: 2066000 -64.2683 -46.7203 -27.6297 -46.7203 -6.25604 50.6656 -27.6298 50.6655 1.17861 GPRESSAVG: 2066000 -64.687 -44.9655 -24.6299 -45.267 -6.30493 48.5007 -28.4249 51.0097 1.71288 TIMING: 2066000 CPU: 5989.36, 0.00289369/step Wall: 5989.36, 0.00289369/step, 2.35835 hours remaining, 208.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2066000 731.3526 2083.5711 1955.8897 118.8543 -206692.0308 18082.9291 0.0000 0.0000 34136.7033 -149582.7305 298.1243 -183719.4338 -149487.0298 297.7533 -27.2625 3.2932 559165.9038 -23.1153 -23.0930 PRESSURE: 2066200 -34.3605 62.4587 -51.1389 62.4579 47.8727 24.4114 -51.1407 24.4124 -62.6863 GPRESSURE: 2066200 13.9046 15.2531 -46.3761 3.19117 40.8451 50.1836 -66.0851 -61.121 -17.0162 PRESSAVG: 2066200 -24.8674 -24.8276 -76.6613 -24.8277 46.7027 5.13574 -76.6613 5.13584 2.34495 GPRESSAVG: 2066200 -23.6495 -26.6262 -78.8746 -28.3404 44.5782 6.59501 -75.1026 5.56459 3.03943 TIMING: 2066200 CPU: 5989.94, 0.00290214/step Wall: 5989.94, 0.00290214/step, 2.36509 hours remaining, 208.101562 MB of memory in use. ENERGY: 2066200 720.4964 2056.8065 1980.0496 121.3002 -206276.5890 17914.0934 0.0000 0.0000 33982.2796 -149501.5633 296.7757 -183483.8429 -149403.8118 298.0362 -16.3914 12.5779 558352.9254 8.0601 7.9894 PRESSURE: 2066400 127.196 196.149 -2.36721 196.149 -12.8135 -75.5418 -2.36549 -75.5419 -84.312 GPRESSURE: 2066400 120.408 213.165 -85.467 134.922 47.8927 -134.717 -37.6631 -66.3294 -43.5818 PRESSAVG: 2066400 35.8794 36.1059 -14.4385 36.106 -40.9621 -12.1224 -14.4385 -12.1224 -40.222 GPRESSAVG: 2066400 35.3429 38.2216 -14.947 39.3393 -39.2238 -12.2752 -15.7384 -10.2556 -41.7611 TIMING: 2066400 CPU: 5990.52, 0.00291113/step Wall: 5990.52, 0.00291113/step, 2.37225 hours remaining, 208.101562 MB of memory in use. ENERGY: 2066400 744.3911 2122.9528 1953.8121 108.9408 -206843.1138 18060.4154 0.0000 0.0000 34382.3895 -149470.2122 300.2700 -183852.6017 -149376.7556 297.9162 10.0237 41.5729 558107.9049 -15.1016 -15.2140 PRESSURE: 2066600 3.34417 45.5171 -1.29972 45.518 -9.49019 28.2434 -1.29956 28.2427 137.904 GPRESSURE: 2066600 -55.9049 116.651 28.1151 -27.4213 39.2357 34.2669 10.0991 29.2435 240.881 PRESSAVG: 2066600 -40.3591 -36.4173 1.31839 -36.4174 -1.13532 41.4203 1.31842 41.4203 83.3824 GPRESSAVG: 2066600 -40.4811 -36.9397 1.57658 -37.9859 -2.50178 41.8815 0.0870645 38.0983 84.4072 TIMING: 2066600 CPU: 5991.1, 0.00289348/step Wall: 5991.1, 0.00289348/step, 2.3577 hours remaining, 208.101562 MB of memory in use. ENERGY: 2066600 703.9601 2051.1002 1942.3420 115.0759 -206320.6985 17797.7745 0.0000 0.0000 34185.0460 -149525.3998 298.5465 -183710.4458 -149425.4650 298.5259 43.9192 74.7372 556523.4790 13.9627 13.8081 PRESSURE: 2066800 -294.127 -140.287 103.322 -140.289 -90.1904 28.8426 103.32 28.8433 309.677 GPRESSURE: 2066800 -214.219 -139.072 84.0862 -137.298 -102.347 28.1251 129.96 38.1609 347.594 PRESSAVG: 2066800 34.1816 -29.4429 -14.9601 -29.4429 6.38665 -55.2119 -14.9602 -55.2119 -14.379 GPRESSAVG: 2066800 34.1802 -30.2464 -12.4887 -28.9843 7.91493 -57.5398 -15.2202 -55.7318 -15.7768 TIMING: 2066800 CPU: 5991.68, 0.00291911/step Wall: 5991.68, 0.00291911/step, 2.37843 hours remaining, 208.101562 MB of memory in use. ENERGY: 2066800 734.0268 2116.6545 1945.4525 114.2999 -206107.3980 17639.0781 0.0000 0.0000 34166.1236 -149391.7626 298.3813 -183557.8862 -149300.5465 298.3180 -24.8800 10.3425 555916.8813 8.7298 8.7728 PRESSURE: 2067000 -391.251 82.4828 156.431 82.4834 -231.629 -49.1598 156.431 -49.1603 -278.862 GPRESSURE: 2067000 -395.136 118.502 198.412 85.5001 -165.561 -69.2018 90.776 -56.8429 -244.53 PRESSAVG: 2067000 -51.6569 2.68332 36.1845 2.68333 63.96 35.5257 36.1846 35.5257 10.9537 GPRESSAVG: 2067000 -52.1466 4.69198 34.5915 1.6595 62.9832 37.0547 38.6615 39.1331 12.9343 TIMING: 2067000 CPU: 5992.26, 0.0028789/step Wall: 5992.26, 0.0028789/step, 2.3455 hours remaining, 208.101562 MB of memory in use. ENERGY: 2067000 793.5417 2063.9945 1937.1296 114.2705 -205883.0731 17522.7696 0.0000 0.0000 34130.7039 -149320.6633 298.0719 -183451.3672 -149220.5143 298.0717 -300.5810 -268.4088 557495.0369 7.7523 7.9236 PRESSURE: 2067200 -19.8295 -124.397 2.46134 -124.397 -197.642 48.7714 2.46167 48.7718 -281.953 GPRESSURE: 2067200 1.35791 -119.916 22.4612 -14.6013 -131.022 38.5277 -16.9508 78.135 -268.127 PRESSAVG: 2067200 -67.8611 -7.14254 1.603 -7.14253 4.50317 21.848 1.60301 21.8479 2.19641 GPRESSAVG: 2067200 -66.6212 -6.85923 1.56145 -7.16144 4.15076 22.8575 -0.0215161 18.6077 1.28895 TIMING: 2067200 CPU: 5992.84, 0.00287271/step Wall: 5992.84, 0.00287271/step, 2.3403 hours remaining, 208.101562 MB of memory in use. ENERGY: 2067200 726.7969 2075.0058 1945.4000 114.2194 -206344.5662 17735.8586 0.0000 0.0000 34395.6118 -149351.6738 300.3854 -183747.2855 -149263.9914 299.0021 -166.4748 -132.5969 557844.9411 -20.3872 -20.3938 PRESSURE: 2067400 108.793 167.257 -34.952 167.256 -96.5447 104.576 -34.9513 104.578 114.884 GPRESSURE: 2067400 117.361 69.8853 -69.3276 167.736 -27.9165 179.093 -23.6771 18.7848 143.1 PRESSAVG: 2067400 -4.77483 21.7752 -15.7056 21.775 15.0628 29.1103 -15.7056 29.1103 -23.9898 GPRESSAVG: 2067400 -6.62162 20.0068 -14.2284 22.8995 15.0719 28.3527 -14.7269 30.3914 -22.3656 TIMING: 2067400 CPU: 5993.41, 0.00286993/step Wall: 5993.41, 0.00286992/step, 2.33787 hours remaining, 208.101562 MB of memory in use. ENERGY: 2067400 783.2858 2076.3199 1948.3025 104.4936 -206944.2479 18082.5120 0.0000 0.0000 34401.2561 -149548.0780 300.4347 -183949.3341 -149459.3813 298.9771 42.3773 77.5147 557070.4705 -4.5673 -4.6384 PRESSURE: 2067600 -50.9612 -51.8862 -7.45879 -51.8875 140.338 -2.47844 -7.45837 -2.47776 142.692 GPRESSURE: 2067600 -10.9881 -153.623 40.001 22.6922 162.932 55.0479 -26.417 -48.9772 181.931 PRESSAVG: 2067600 22.7992 1.00625 -0.449673 1.0063 47.8307 -28.335 -0.449618 -28.3351 -39.6914 GPRESSAVG: 2067600 23.8422 1.54213 1.29586 0.936715 48.1188 -28.1378 -2.6631 -29.2094 -41.7412 TIMING: 2067600 CPU: 5993.99, 0.00289203/step Wall: 5993.99, 0.00289203/step, 2.35572 hours remaining, 208.101562 MB of memory in use. ENERGY: 2067600 769.3488 2069.4631 1961.2611 114.2938 -206769.7742 18200.4171 0.0000 0.0000 34105.4816 -149549.5087 297.8517 -183654.9903 -149456.5479 298.2921 77.3561 111.2917 557446.8863 10.3128 10.0733 PRESSURE: 2067800 8.88072 -241.415 74.9151 -241.415 61.353 107.195 74.9156 107.195 -225.097 GPRESSURE: 2067800 52.05 -282.238 72.01 -302.493 111.432 142.147 81.8711 38.8042 -218.158 PRESSAVG: 2067800 -17.6263 -15.9864 32.4737 -15.9864 9.32886 -13.9835 32.4736 -13.9835 -2.0697 GPRESSAVG: 2067800 -18.684 -17.5 31.6492 -15.7364 10.9942 -15.1788 35.0533 -13.1953 -2.53335 TIMING: 2067800 CPU: 5994.56, 0.00288662/step Wall: 5994.56, 0.00288662/step, 2.35115 hours remaining, 208.156250 MB of memory in use. ENERGY: 2067800 772.9716 2095.5981 1948.2411 110.9898 -206395.7962 17900.2462 0.0000 0.0000 34070.4252 -149497.3243 297.5455 -183567.7494 -149396.5480 298.6839 -51.6212 -18.2251 558334.1201 -3.4557 -3.4077 PRESSURE: 2068000 -62.2469 -56.5279 90.1648 -56.5284 -90.9336 -29.9998 90.1638 -29.9984 -61.4614 GPRESSURE: 2068000 -65.2962 77.7086 121.628 -189.938 -37.0958 -13.8112 73.7154 -44.9549 -14.3634 PRESSAVG: 2068000 76.3633 -7.85508 -38.1059 -7.85517 -89.0507 38.9915 -38.1058 38.9915 10.8098 GPRESSAVG: 2068000 77.9824 -7.91015 -37.8199 -8.00956 -90.9838 39.7679 -39.7061 36.7703 11.6975 TIMING: 2068000 CPU: 5995.14, 0.00289216/step Wall: 5995.14, 0.00289216/step, 2.3555 hours remaining, 208.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2068000 728.4453 2081.2625 1940.2531 118.1883 -206298.0272 17721.0579 0.0000 0.0000 34176.0976 -149532.7226 298.4684 -183708.8202 -149434.4670 297.6358 -71.5473 -38.9185 558535.7094 -0.6259 -0.4346 PRESSURE: 2068200 24.2757 43.7641 54.6765 43.7638 -20.4468 24.7282 54.6775 24.7266 -416.559 GPRESSURE: 2068200 73.8519 5.08188 -13.7664 3.9969 -19.6733 32.9923 51.1077 40.5958 -375.454 PRESSAVG: 2068200 42.553 -0.966746 12.4564 -0.966771 -36.322 50.0814 12.4564 50.0816 -32.7415 GPRESSAVG: 2068200 41.7805 1.34479 9.91377 -3.2732 -36.2026 50.5484 15.1584 51.8661 -32.5638 TIMING: 2068200 CPU: 5995.72, 0.00289002/step Wall: 5995.72, 0.00289002/step, 2.3536 hours remaining, 208.156250 MB of memory in use. ENERGY: 2068200 727.5347 2095.6892 1938.5405 109.3508 -206673.7045 17884.2245 0.0000 0.0000 34269.5880 -149648.7769 299.2848 -183918.3649 -149557.6116 297.7629 -137.5766 -107.0919 558040.0695 -8.8368 -8.9953 LDB: ============= START OF LOAD BALANCING ============== 5999.11 LDB: ============== END OF LOAD BALANCING =============== 5999.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5999.11 LDB: ============= START OF LOAD BALANCING ============== 5999.4 LDB: Largest compute 4792 load 0.022110 is 18.7% of average load 0.117949 LDB: Average compute 0.001742 is 1.5% of average load 0.117949 LDB: TIME 5999.4 LOAD: AVG 0.117949 MAX 0.181234 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.289 MB LDB: TIME 5999.4 LOAD: AVG 0.117949 MAX 0.181234 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 5999.4 LOAD: AVG 0.117949 MAX 0.181234 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: ============== END OF LOAD BALANCING =============== 5999.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5999.41 PRESSURE: 2068400 -136.241 -39.4209 16.4673 -39.4195 -167.13 186.479 16.467 186.478 -142.146 GPRESSURE: 2068400 -97.0034 47.6365 26.6997 -70.9192 -142.125 165.352 -35.4168 136.401 -87.9692 PRESSAVG: 2068400 20.6055 -57.7898 1.60701 -57.7899 -40.1272 -21.946 1.607 -21.9461 39.2251 GPRESSAVG: 2068400 21.1393 -60.657 1.71925 -53.8687 -40.1679 -23.4538 -0.527969 -22.2547 38.9831 TIMING: 2068400 CPU: 5996.31, 0.00295614/step Wall: 5996.31, 0.00295614/step, 2.40729 hours remaining, 210.597656 MB of memory in use. ENERGY: 2068400 714.2761 2068.2429 1959.6872 109.0371 -206202.8910 17537.8724 0.0000 0.0000 34216.3683 -149597.4070 298.8201 -183813.7752 -149492.1053 298.5858 -148.5057 -109.0325 558041.7008 6.5678 6.6515 PRESSURE: 2068600 100.498 141.891 190.763 141.891 12.7931 122.879 190.762 122.879 -329.825 GPRESSURE: 2068600 135.579 171.279 173.423 138.565 58.6995 91.0082 162.716 127.258 -306.913 PRESSAVG: 2068600 17.6476 5.17799 4.06324 5.17799 33.8823 -1.98812 4.06325 -1.98804 -27.4348 GPRESSAVG: 2068600 17.2848 8.07824 4.81654 2.87964 34.4226 -0.625878 5.03654 -2.82766 -27.3503 TIMING: 2068600 CPU: 5996.89, 0.0028959/step Wall: 5996.89, 0.0028959/step, 2.35806 hours remaining, 210.597656 MB of memory in use. ENERGY: 2068600 762.0493 2030.0060 1970.8534 110.0168 -206350.2183 17729.1224 0.0000 0.0000 34255.4691 -149492.7012 299.1615 -183748.1703 -149392.3293 297.8466 -72.1782 -37.5449 556236.4502 8.0317 8.1190 PRESSURE: 2068800 -162.787 16.3422 -59.6013 16.341 -22.5166 13.0654 -59.6008 13.0671 147.056 GPRESSURE: 2068800 -71.7909 -12.4032 -49.6147 -60.3934 -41.3272 32.235 4.51349 -50.5167 173.124 PRESSAVG: 2068800 -7.97175 54.8194 -33.2393 54.8194 35.2781 11.8637 -33.2395 11.8636 -26.6589 GPRESSAVG: 2068800 -9.8528 54.814 -32.2914 55.2926 36.58 11.5934 -32.4437 12.9626 -26.2504 TIMING: 2068800 CPU: 5997.47, 0.0028803/step Wall: 5997.47, 0.0028803/step, 2.34521 hours remaining, 210.597656 MB of memory in use. ENERGY: 2068800 727.2406 2097.9207 1936.3976 105.2902 -206369.9132 17776.4375 0.0000 0.0000 34273.1839 -149453.4428 299.3162 -183726.6267 -149356.7110 298.6677 -12.7493 20.0019 556408.3581 0.2158 0.1589 PRESSURE: 2069000 212.737 91.4332 13.1493 91.4325 -47.2287 -97.2049 13.1493 -97.2059 47.847 GPRESSURE: 2069000 254.453 101.394 103.134 97.6969 -23.1972 -113.29 -10.3559 -77.8105 81.9459 PRESSAVG: 2069000 -35.1964 -3.44902 16.5701 -3.449 -62.5873 39.4772 16.57 39.4773 55.385 GPRESSAVG: 2069000 -33.1458 -2.79052 17.6993 -4.29074 -63.7202 39.6533 14.5164 39.5856 54.6664 TIMING: 2069000 CPU: 5998.04, 0.00288298/step Wall: 5998.04, 0.00288298/step, 2.34723 hours remaining, 210.597656 MB of memory in use. ENERGY: 2069000 716.0144 2090.1638 1938.6314 115.9585 -206554.1082 18003.3420 0.0000 0.0000 34232.5699 -149457.4283 298.9615 -183689.9981 -149364.3245 298.5428 71.1183 104.4006 556593.0582 -14.1329 -14.0665 PRESSURE: 2069200 -62.8205 50.4028 177.849 50.4023 12.7601 83.2197 177.849 83.219 -76.7712 GPRESSURE: 2069200 -81.4311 16.0587 225.769 124.811 66.2306 48.2409 170.926 35.014 -32.615 PRESSAVG: 2069200 -39.6989 45.9616 25.4405 45.9615 3.19638 3.15774 25.4406 3.15774 47.663 GPRESSAVG: 2069200 -40.0691 44.3628 23.0769 47.2209 2.21057 3.84379 24.0942 2.21732 48.8673 TIMING: 2069200 CPU: 5998.62, 0.00288037/step Wall: 5998.62, 0.00288037/step, 2.34494 hours remaining, 210.597656 MB of memory in use. ENERGY: 2069200 755.1178 2132.6459 1953.4697 107.2989 -206554.5415 17937.2762 0.0000 0.0000 34079.7263 -149589.0067 297.6267 -183668.7330 -149495.5143 298.4763 -42.2772 -15.9385 556956.0653 3.7202 3.6696 PRESSURE: 2069400 -181.743 10.3106 21.0132 10.3119 27.4264 -11.8657 21.0141 -11.8665 -78.7556 GPRESSURE: 2069400 -141.636 21.4658 100.029 13.3356 76.3594 -128.553 -74.0572 86.0522 -76.9958 PRESSAVG: 2069400 -39.9733 51.0438 -27.1851 51.0439 4.53209 9.01712 -27.1851 9.01699 70.6182 GPRESSAVG: 2069400 -40.696 52.3571 -25.496 48.6336 5.25915 8.40835 -25.0672 10.2763 70.8284 TIMING: 2069400 CPU: 5999.2, 0.002882/step Wall: 5999.2, 0.002882/step, 2.34611 hours remaining, 210.597656 MB of memory in use. ENERGY: 2069400 773.0656 2070.7655 1977.5561 111.6747 -206498.7502 17904.4793 0.0000 0.0000 34056.7608 -149604.4482 297.4262 -183661.2089 -149515.5158 298.2025 -77.6907 -47.4240 556724.4430 11.7257 11.7972 PRESSURE: 2069600 -139.126 219.494 15.354 219.493 -20.3228 -155.948 15.3528 -155.946 183.746 GPRESSURE: 2069600 -75.9464 245.112 -17.714 220.547 36.4928 -116.315 96.0247 -107.222 180.389 PRESSAVG: 2069600 -20.191 -2.24796 -38.227 -2.24797 28.4369 3.56367 -38.227 3.56356 35.3529 GPRESSAVG: 2069600 -19.7612 -3.91198 -38.9044 -0.419755 30.302 4.26878 -37.4416 2.42665 33.516 TIMING: 2069600 CPU: 5999.78, 0.00290823/step Wall: 5999.78, 0.00290823/step, 2.3673 hours remaining, 210.597656 MB of memory in use. ENERGY: 2069600 771.2715 2079.0704 1973.7437 117.7495 -206291.2445 17826.3557 0.0000 0.0000 34063.3615 -149459.6922 297.4838 -183523.0537 -149360.6264 298.0887 8.0992 46.9784 555898.7902 14.5329 14.6856 PRESSURE: 2069800 -357.632 65.6079 -29.0636 65.6078 29.1524 78.1302 -29.0635 78.1311 -228.988 GPRESSURE: 2069800 -330.858 34.1402 -115.026 -2.6404 40.6996 104.198 -23.256 88.6277 -153.666 PRESSAVG: 2069800 -65.0619 -5.90446 39.7427 -5.90444 28.5947 -18.7923 39.7426 -18.7923 32.0882 GPRESSAVG: 2069800 -65.3461 -3.65723 40.0056 -5.95041 28.9377 -18.101 38.0327 -20.1273 32.3933 TIMING: 2069800 CPU: 6000.35, 0.00287371/step Wall: 6000.35, 0.00287371/step, 2.33904 hours remaining, 210.597656 MB of memory in use. ENERGY: 2069800 761.1178 2134.0341 1960.6640 117.8857 -206475.7203 17623.7709 0.0000 0.0000 34236.7115 -149641.5363 298.9977 -183878.2478 -149546.9826 297.8458 -185.8222 -147.9414 556104.3629 -1.4597 -1.3384 PRESSURE: 2070000 30.6004 -36.4541 53.7869 -36.4542 -55.0399 -45.0316 53.7875 -45.0309 -10.4223 GPRESSURE: 2070000 23.1025 -64.7032 26.2127 -87.4233 -12.717 -67.4841 51.6439 -50.5943 58.1321 PRESSAVG: 2070000 -67.6306 34.6761 5.6193 34.6761 -12.3373 -2.66006 5.61927 -2.66007 73.411 GPRESSAVG: 2070000 -67.4369 32.8026 3.49001 34.3039 -14.6984 -3.87606 7.72875 -2.50348 75.356 TIMING: 2070000 CPU: 6000.93, 0.0028994/step Wall: 6000.93, 0.0028994/step, 2.35979 hours remaining, 210.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2070000 753.2634 2088.0940 1970.0105 129.6854 -206477.6882 17844.3869 0.0000 0.0000 34169.0216 -149523.2263 298.4066 -183692.2479 -149430.2964 298.0989 -11.6206 22.8392 556190.4080 -2.1856 -2.2598 PRESSURE: 2070200 117.017 18.5674 -90.1278 18.5666 -123.998 -75.3411 -90.1275 -75.3412 -118.151 GPRESSURE: 2070200 155.06 -7.55819 -79.8095 11.1343 -113.422 -79.3056 -57.8627 -38.4059 -76.5125 PRESSAVG: 2070200 22.0696 10.4138 -26.2257 10.4139 24.2557 26.5069 -26.2257 26.5068 -52.6436 GPRESSAVG: 2070200 21.2726 8.94257 -25.3234 10.9372 25.6565 25.5275 -27.1274 29.4951 -53.167 TIMING: 2070200 CPU: 6001.51, 0.00290279/step Wall: 6001.51, 0.00290279/step, 2.36238 hours remaining, 210.597656 MB of memory in use. ENERGY: 2070200 798.1239 2102.9072 1921.6214 110.8025 -206305.0854 17692.3497 0.0000 0.0000 34342.2180 -149337.0627 299.9191 -183679.2807 -149243.7936 298.3895 -41.7104 -11.6251 556430.1526 -2.1061 -2.0793 PRESSURE: 2070400 107.002 -41.5201 29.1266 -41.5194 189.945 55.6812 29.1273 55.6807 63.666 GPRESSURE: 2070400 89.075 -71.328 -16.6224 -32.5975 255.215 39.3276 57.5645 -45.6629 114.076 PRESSAVG: 2070400 9.56399 -2.83133 22.4876 -2.8314 -61.0099 -12.6271 22.4875 -12.6272 59.3594 GPRESSAVG: 2070400 10.5365 -2.27589 21.4119 -1.66904 -61.9314 -11.902 22.4188 -14.6481 59.4805 TIMING: 2070400 CPU: 6002.09, 0.00289759/step Wall: 6002.09, 0.00289759/step, 2.35799 hours remaining, 210.597656 MB of memory in use. ENERGY: 2070400 766.6077 2097.8256 1948.1298 111.0365 -206283.4017 17947.7443 0.0000 0.0000 34243.3892 -149168.6685 299.0560 -183412.0577 -149077.9614 299.1518 120.2043 152.7886 557418.1229 2.6378 2.6952 PRESSURE: 2070600 125.718 10.8836 -216.723 10.8837 -132.212 -12.0966 -216.724 -12.0981 -149.785 GPRESSURE: 2070600 81.3101 10.7174 -167.113 -58.5823 -60.3564 39.8646 -248.657 -44.5178 -72.9351 PRESSAVG: 2070600 -61.9342 35.5146 24.9996 35.5145 41.9276 -23.3683 24.9996 -23.3682 -1.89134 GPRESSAVG: 2070600 -60.8456 37.0892 26.6111 34.3859 40.9943 -23.3897 25.5039 -21.7747 -2.25084 TIMING: 2070600 CPU: 6002.67, 0.0028984/step Wall: 6002.67, 0.0028984/step, 2.35849 hours remaining, 210.597656 MB of memory in use. ENERGY: 2070600 798.5515 2068.5932 1966.4542 114.4244 -206014.2017 17847.2074 0.0000 0.0000 34015.4248 -149203.5462 297.0652 -183218.9710 -149118.5992 298.9703 -52.0931 -17.3271 559536.2423 -7.2993 -7.3674 PRESSURE: 2070800 -83.6069 23.7661 -155.391 23.7657 -34.4034 -100.972 -155.391 -100.972 44.4357 GPRESSURE: 2070800 -102.77 -75.3443 -185.389 122.597 63.8582 -163.839 -112.392 -64.8591 61.7518 PRESSAVG: 2070800 -46.9858 44.3502 -69.9719 44.3503 25.6855 -9.94807 -69.9719 -9.94805 29.2285 GPRESSAVG: 2070800 -47.3116 41.4823 -68.9842 45.8212 26.0843 -11.9314 -70.4927 -10.6342 28.9873 TIMING: 2070800 CPU: 6003.25, 0.00290493/step Wall: 6003.25, 0.00290493/step, 2.36364 hours remaining, 210.597656 MB of memory in use. ENERGY: 2070800 737.6771 2084.1682 1935.6631 108.0460 -206162.4267 17846.5017 0.0000 0.0000 34330.5330 -149119.8376 299.8171 -183450.3706 -149020.7027 299.8465 -24.5249 7.6134 558075.1591 2.6427 2.5867 PRESSURE: 2071000 150.482 16.6392 -2.867 16.6388 -225 -17.9776 -2.86755 -17.9756 -130.613 GPRESSURE: 2071000 150.581 -43.2045 -50.1981 75.9618 -182.195 7.10578 12.3326 10.3274 -70.7035 PRESSAVG: 2071000 -4.27417 -28.2061 -37.8728 -28.2063 -40.5813 -94.0483 -37.8727 -94.0483 -8.51374 GPRESSAVG: 2071000 -5.17289 -25.2619 -37.5585 -28.9678 -39.1089 -91.9139 -39.9582 -93.6374 -9.02803 TIMING: 2071000 CPU: 6003.84, 0.00292321/step Wall: 6003.84, 0.00292321/step, 2.37836 hours remaining, 210.597656 MB of memory in use. ENERGY: 2071000 779.8259 2069.1900 1943.3564 107.0996 -206190.6749 17802.6761 0.0000 0.0000 34243.8865 -149244.6404 299.0604 -183488.5268 -149148.9492 298.7007 -68.3769 -34.1056 557793.8255 -17.7897 -17.7700 PRESSURE: 2071200 -85.4592 -49.3804 -21.2287 -49.3786 -225.052 -100.968 -21.228 -100.969 -38.5187 GPRESSURE: 2071200 -62.9203 -29.2948 -109.065 -22.3868 -155.263 -149.384 53.6853 -66.1301 -41.6525 PRESSAVG: 2071200 -8.34316 -10.6117 -31.0493 -10.6117 26.8249 -0.186444 -31.0493 -0.186366 -1.39855 GPRESSAVG: 2071200 -7.92044 -10.9848 -32.239 -11.021 25.9507 -0.215599 -29.2148 -1.94267 -1.11456 TIMING: 2071200 CPU: 6004.42, 0.00290787/step Wall: 6004.42, 0.00290787/step, 2.36572 hours remaining, 210.597656 MB of memory in use. ENERGY: 2071200 756.8037 2065.2641 1977.3569 105.7487 -205951.3600 17673.0772 0.0000 0.0000 34212.9101 -149160.1993 298.7899 -183373.1094 -149058.6436 299.3574 -116.3432 -86.6119 560380.1387 5.6944 5.6386 PRESSURE: 2071400 -20.8288 68.4177 -182.822 68.4182 -52.8767 152.159 -182.822 152.158 83.9645 GPRESSURE: 2071400 -44.2182 76.5203 -134.739 27.3448 6.23081 296.936 -174.57 67.0707 164.667 PRESSAVG: 2071400 -16.6518 33.9326 -33.9261 33.9327 -5.81455 7.71836 -33.9262 7.71833 21.6521 GPRESSAVG: 2071400 -16.453 33.8274 -32.7271 35.1735 -5.74414 7.8584 -33.6808 8.85877 21.9728 TIMING: 2071400 CPU: 6005, 0.00290957/step Wall: 6005, 0.00290957/step, 2.36693 hours remaining, 210.597656 MB of memory in use. ENERGY: 2071400 755.8240 2053.5551 1949.0117 100.6112 -205930.3327 17617.0253 0.0000 0.0000 34294.6843 -149159.6210 299.5040 -183454.3053 -149068.0565 298.8045 3.4197 42.2266 558966.5448 -0.2714 -0.0748 PRESSURE: 2071600 -22.9069 -30.0374 -21.6275 -30.0391 -25.2131 24.854 -21.6273 24.8526 -58.8982 GPRESSURE: 2071600 -16.0261 -46.1284 -49.6298 -35.8084 13.9011 57.2459 -3.95814 39.3484 -12.5954 PRESSAVG: 2071600 6.6867 3.61797 23.4941 3.61811 10.2957 27.9246 23.4941 27.9246 -28.3399 GPRESSAVG: 2071600 6.89564 4.02874 21.4709 1.27423 9.324 26.2889 23.675 28.9404 -27.8292 TIMING: 2071600 CPU: 6005.58, 0.0028995/step Wall: 6005.58, 0.00289951/step, 2.35859 hours remaining, 210.597656 MB of memory in use. ENERGY: 2071600 711.8342 2027.9833 1933.6095 109.4440 -205914.5623 17716.4115 0.0000 0.0000 34251.0207 -149164.2592 299.1227 -183415.2798 -149071.5703 298.5039 -35.6728 -4.9068 558533.1023 -3.7858 -3.8699 PRESSURE: 2071800 452.405 -62.3679 -39.3099 -62.3679 -144.891 -139.421 -39.3101 -139.421 15.9231 GPRESSURE: 2071800 471.991 -64.1722 -61.8713 -124.687 -120.504 -88.6828 -91.0091 -192.044 53.1094 PRESSAVG: 2071800 67.1412 -49.4132 -29.9904 -49.4132 -63.7052 -10.5253 -29.9904 -10.5254 -15.5892 GPRESSAVG: 2071800 66.6363 -50.0607 -28.3493 -48.3918 -62.5002 -10.0056 -28.0801 -10.774 -16.6581 TIMING: 2071800 CPU: 6006.16, 0.00290311/step Wall: 6006.16, 0.00290311/step, 2.36136 hours remaining, 210.597656 MB of memory in use. ENERGY: 2071800 756.1020 2063.3902 1942.4396 115.4652 -206235.3955 17978.0382 0.0000 0.0000 34319.1710 -149060.7893 299.7179 -183379.9603 -148971.6361 299.3316 107.8126 134.8654 557838.9840 -4.0511 -4.1740 PRESSURE: 2072000 71.8105 36.1729 5.55464 36.1732 211.381 72.5307 5.55487 72.5298 100.493 GPRESSURE: 2072000 147.424 -40.1684 -28.5313 72.0863 231.855 64.6459 5.83363 43.7572 108.999 PRESSAVG: 2072000 26.155 0.71279 -55.3473 0.712829 3.1617 12.9976 -55.3471 12.9976 3.1263 GPRESSAVG: 2072000 26.4032 0.336564 -54.353 1.82262 3.31936 12.0723 -58.4895 12.4075 2.6401 TIMING: 2072000 CPU: 6006.74, 0.00287326/step Wall: 6006.74, 0.00287326/step, 2.33692 hours remaining, 210.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2072000 751.9110 2077.0355 1934.9329 113.0801 -206257.9122 18073.0155 0.0000 0.0000 34334.9952 -148972.9420 299.8561 -183307.9372 -148879.1172 299.6445 127.8948 162.7594 557534.0433 10.8143 10.7876 PRESSURE: 2072200 -303.129 -9.22994 -204.185 -9.23001 -195.675 102.936 -204.186 102.936 -214.74 GPRESSURE: 2072200 -240.545 10.9465 -144.461 -19.1575 -195.591 127.517 -221.563 66.8152 -181.874 PRESSAVG: 2072200 -35.0791 4.52191 -80.4596 4.52187 25.3936 -1.50944 -80.4595 -1.50943 2.42305 GPRESSAVG: 2072200 -36.4612 6.09294 -81.7307 4.27232 25.2923 -0.35791 -82.84 -0.759917 3.81208 TIMING: 2072200 CPU: 6007.32, 0.00291255/step Wall: 6007.32, 0.00291255/step, 2.36871 hours remaining, 210.597656 MB of memory in use. ENERGY: 2072200 744.9428 2090.1721 1943.5580 115.5516 -205598.1310 17363.8812 0.0000 0.0000 34382.3532 -148957.6720 300.2696 -183340.0251 -148867.0263 300.3849 -237.8481 -206.0031 558204.9403 -2.4208 -2.4523 LDB: ============= START OF LOAD BALANCING ============== 6010.7 LDB: ============== END OF LOAD BALANCING =============== 6010.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6010.71 LDB: ============= START OF LOAD BALANCING ============== 6011 LDB: Largest compute 4794 load 0.022938 is 19.5% of average load 0.117807 LDB: Average compute 0.001746 is 1.5% of average load 0.117807 LDB: TIME 6011 LOAD: AVG 0.117807 MAX 0.180327 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.547 MB LDB: TIME 6011 LOAD: AVG 0.117807 MAX 0.180327 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: TIME 6011 LOAD: AVG 0.117807 MAX 0.180327 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: ============== END OF LOAD BALANCING =============== 6011 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6011.01 PRESSURE: 2072400 -162.243 0.219927 1.89513 0.219532 -173.948 77.934 1.89498 77.9337 -62.2778 GPRESSURE: 2072400 -151.047 36.8596 -3.19328 50.0281 -113.637 105.362 -29.7532 59.0046 -28.2879 PRESSAVG: 2072400 -35.6433 37.5167 32.8991 37.5167 31.2921 -14.125 32.8992 -14.125 42.2722 GPRESSAVG: 2072400 -34.4539 37.9819 32.2864 36.3218 31.3709 -13.4184 35.1934 -15.2896 41.1869 TIMING: 2072400 CPU: 6007.91, 0.00295882/step Wall: 6007.91, 0.00295882/step, 2.40618 hours remaining, 207.941406 MB of memory in use. ENERGY: 2072400 758.1618 2035.9031 1905.6915 118.2345 -205851.2855 17698.2318 0.0000 0.0000 34135.9484 -149199.1144 298.1177 -183335.0628 -149105.4015 300.0511 -132.8230 -97.6572 559594.6562 12.6403 12.7013 PRESSURE: 2072600 -247.209 37.8452 -73.5584 37.8464 -77.5111 -68.5851 -73.5584 -68.5867 -12.557 GPRESSURE: 2072600 -210.992 44.2243 -49.5838 75.7178 -29.678 -108.874 -72.3549 -58.1458 -15.1048 PRESSAVG: 2072600 -16.3479 74.1576 33.9412 74.1576 72.123 7.08529 33.9413 7.08523 -35.3023 GPRESSAVG: 2072600 -17.9567 72.6648 34.9166 74.5452 73.092 6.48589 32.8931 8.85791 -34.877 TIMING: 2072600 CPU: 6008.49, 0.00291581/step Wall: 6008.49, 0.00291581/step, 2.37104 hours remaining, 208.046875 MB of memory in use. ENERGY: 2072600 772.6782 2028.7991 1947.0455 109.1594 -206089.1280 17575.5375 0.0000 0.0000 34360.3492 -149295.5591 300.0775 -183655.9082 -149192.3490 299.5553 -112.4259 -85.2581 557487.5238 6.8243 6.7527 PRESSURE: 2072800 -63.4331 45.2392 -48.8846 45.2386 -16.7324 -80.8713 -48.8846 -80.8712 92.1287 GPRESSURE: 2072800 -66.2261 -31.553 178.599 60.944 52.4323 -37.3466 -143.48 -64.4105 125.857 PRESSAVG: 2072800 -43.1302 8.15386 32.8418 8.15393 40.4643 -23.6724 32.8419 -23.6725 -11.3433 GPRESSAVG: 2072800 -42.6576 8.70917 31.2081 8.40613 40.5959 -22.6088 34.4013 -25.9737 -12.0914 TIMING: 2072800 CPU: 6009.08, 0.00292413/step Wall: 6009.08, 0.00292413/step, 2.37764 hours remaining, 208.046875 MB of memory in use. ENERGY: 2072800 734.9480 2039.7630 1951.5983 119.7571 -206454.0908 17816.8616 0.0000 0.0000 34323.7401 -149467.4228 299.7578 -183791.1629 -149365.8044 299.2037 3.9878 37.3545 556638.1874 -4.6697 -4.7177 PRESSURE: 2073000 -326.101 -101.687 -73.0488 -101.687 -139.91 99.3745 -73.0487 99.3744 -189.268 GPRESSURE: 2073000 -247.115 -29.4808 -14.8137 -180.368 -68.0157 99.8067 -118.133 83.8308 -244.406 PRESSAVG: 2073000 -42.2375 3.03132 -17.6211 3.03142 39.151 10.5374 -17.621 10.5374 -22.7741 GPRESSAVG: 2073000 -42.3652 2.93412 -17.9966 3.84995 39.1117 10.5526 -18.6964 10.6903 -22.4506 TIMING: 2073000 CPU: 6009.66, 0.00291278/step Wall: 6009.66, 0.00291279/step, 2.36826 hours remaining, 208.046875 MB of memory in use. ENERGY: 2073000 730.9575 2048.0561 1973.0057 98.2958 -205912.5062 17408.5433 0.0000 0.0000 34117.1667 -149536.4810 297.9537 -183653.6477 -149436.8542 298.3445 -218.4262 -186.5123 556199.3453 -8.6202 -8.5680 PRESSURE: 2073200 -259.564 -183.697 -142.29 -183.698 -145.476 49.6075 -142.289 49.6089 30.4785 GPRESSURE: 2073200 -255.555 -138.175 -135.091 -147.375 -83.5389 53.0578 -112.736 -29.3454 60.6294 PRESSAVG: 2073200 41.1856 -49.7811 -15.4721 -49.7811 -40.6836 49.5361 -15.4722 49.5361 19.4155 GPRESSAVG: 2073200 41.0388 -48.6368 -15.7002 -50.6733 -40.3956 51.2821 -13.6916 49.3778 19.4724 TIMING: 2073200 CPU: 6010.24, 0.0028799/step Wall: 6010.24, 0.0028799/step, 2.34136 hours remaining, 208.046875 MB of memory in use. ENERGY: 2073200 743.1398 2083.5872 1951.4517 125.6208 -206051.5938 17598.7367 0.0000 0.0000 34060.9198 -149488.1379 297.4625 -183549.0577 -149395.6653 298.1933 -124.8536 -92.8216 557275.1534 6.6392 6.7052 PRESSURE: 2073400 -101.154 50.0404 42.426 50.0422 -13.8992 -10.0515 42.4254 -10.0513 -106.24 GPRESSURE: 2073400 -41.6241 74.2266 23.0992 18.3457 27.5107 83.925 49.425 4.10421 -113.761 PRESSAVG: 2073400 19.9745 -10.52 -39.1751 -10.52 49.0195 8.0937 -39.1752 8.0937 -41.6535 GPRESSAVG: 2073400 19.7141 -9.56038 -38.5865 -9.99146 49.4796 5.78608 -40.4132 9.61963 -42.06 TIMING: 2073400 CPU: 6010.82, 0.0029071/step Wall: 6010.82, 0.0029071/step, 2.36331 hours remaining, 208.046875 MB of memory in use. ENERGY: 2073400 720.1268 2081.4294 1955.1025 102.4968 -206448.8841 17775.2546 0.0000 0.0000 34312.3396 -149502.1345 299.6582 -183814.4741 -149403.1407 299.0262 -73.7642 -42.6248 557854.9914 9.1135 9.0446 PRESSURE: 2073600 -20.3032 -47.0155 28.94 -47.0172 289.105 -21.9282 28.9409 -21.9294 -26.0472 GPRESSURE: 2073600 32.1324 18.9755 1.27021 -53.7912 299.013 -37.9234 -9.78619 2.89193 19.3911 PRESSAVG: 2073600 10.6084 40.4778 1.74676 40.4778 -28.186 31.1812 1.74673 31.1813 45.282 GPRESSAVG: 2073600 11.1107 39.6547 2.89135 40.3622 -30.5002 30.5709 2.83281 31.5126 46.9525 TIMING: 2073600 CPU: 6011.4, 0.00290395/step Wall: 6011.4, 0.00290395/step, 2.36059 hours remaining, 208.046875 MB of memory in use. ENERGY: 2073600 730.7385 2078.8091 1947.3829 113.6332 -206347.6313 17950.3879 0.0000 0.0000 34289.8999 -149236.7799 299.4622 -183526.6798 -149133.5168 298.8298 80.9182 116.8454 558461.7964 9.2348 9.1877 PRESSURE: 2073800 -34.8281 -29.2123 -18.449 -29.213 73.0484 -19.4595 -18.4484 -19.4604 6.85359 GPRESSURE: 2073800 10.9751 -152.803 -58.8571 37.5343 73.7121 14.8045 -61.3698 -66.3315 41.8304 PRESSAVG: 2073800 -23.7875 13.1012 -4.9781 13.1012 9.15671 0.125574 -4.9781 0.125574 6.91992 GPRESSAVG: 2073800 -23.7435 12.82 -6.17414 10.9808 10.3658 0.662455 -5.55724 -1.97806 5.83107 TIMING: 2073800 CPU: 6011.97, 0.0028666/step Wall: 6011.97, 0.0028666/step, 2.33007 hours remaining, 208.046875 MB of memory in use. ENERGY: 2073800 762.9274 2080.2787 1921.1861 108.1185 -206280.0471 17968.3324 0.0000 0.0000 34229.3963 -149209.8076 298.9338 -183439.2040 -149115.8086 299.7599 15.0246 42.1725 558331.6957 -2.5703 -2.5155 PRESSURE: 2074000 12.1384 97.4657 58.7092 97.4664 255.333 39.7352 58.7083 39.7356 -121.044 GPRESSURE: 2074000 48.3797 75.4806 115.24 69.2667 298.613 63.5962 -47.0594 -41.4992 -105.899 PRESSAVG: 2074000 -9.10764 18.4247 -24.7992 18.4247 47.1848 10.4345 -24.7993 10.4346 -36.1929 GPRESSAVG: 2074000 -9.0427 16.8837 -23.6614 20.2314 46.0793 10.7831 -25.6967 11.9529 -34.9049 TIMING: 2074000 CPU: 6012.55, 0.00289426/step Wall: 6012.55, 0.00289426/step, 2.35239 hours remaining, 208.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2074000 725.2122 2104.6514 1964.4854 109.7273 -206461.9611 17998.4226 0.0000 0.0000 34552.3097 -149007.1525 301.7539 -183559.4622 -148904.0432 299.7275 48.8089 80.3645 557627.7085 0.6281 0.7106 PRESSURE: 2074200 96.3132 13.0867 -25.0388 13.0857 -31.1572 -121.7 -25.0385 -121.699 -221.122 GPRESSURE: 2074200 158.305 64.6175 -84.0561 -5.19226 -5.92428 -123.468 -104.446 -43.8314 -194.464 PRESSAVG: 2074200 35.8872 8.07999 -0.613653 8.07991 -28.4251 -27.3482 -0.61364 -27.3481 -0.637393 GPRESSAVG: 2074200 35.9937 9.15251 -2.97658 8.39752 -28.5037 -26.5469 0.478163 -26.9436 -0.900943 TIMING: 2074200 CPU: 6013.13, 0.00290745/step Wall: 6013.13, 0.00290745/step, 2.36295 hours remaining, 208.046875 MB of memory in use. ENERGY: 2074200 806.0051 2094.9675 1959.5102 114.1375 -206051.9560 17687.7763 0.0000 0.0000 34235.2789 -149154.2804 298.9852 -183389.5593 -149059.2628 299.7448 -51.9888 -14.0275 558050.9092 2.2749 2.1964 PRESSURE: 2074400 342.406 52.2124 190.209 52.2111 -36.4171 -78.146 190.209 -78.1468 36.0113 GPRESSURE: 2074400 373.627 -103.661 138.39 88.0617 -10.0709 -71.2826 297.1 -86.8951 79.7324 PRESSAVG: 2074400 70.8683 7.73482 -3.91828 7.73492 -45.5394 -0.236741 -3.91826 -0.236789 -27.4753 GPRESSAVG: 2074400 70.7424 6.31945 -3.0255 5.45512 -44.7886 -0.790921 -2.84984 -0.965946 -28.0085 TIMING: 2074400 CPU: 6013.72, 0.00291766/step Wall: 6013.72, 0.00291766/step, 2.37108 hours remaining, 208.046875 MB of memory in use. ENERGY: 2074400 744.9837 2077.2228 1934.8846 105.1465 -206642.6550 18180.9276 0.0000 0.0000 34449.1552 -149150.3347 300.8530 -183599.4899 -149046.4361 298.6796 114.0001 147.7629 559110.1063 -0.7155 -0.6849 PRESSURE: 2074600 89.2168 -87.1093 17.9564 -87.1091 -447.652 15.7509 17.9553 15.75 -272.077 GPRESSURE: 2074600 79.6137 -122.536 13.5698 -104.43 -378.913 -114.145 -1.07014 165.468 -228.896 PRESSAVG: 2074600 65.5055 31.8079 29.7614 31.8077 -45.3871 29.6729 29.7614 29.673 -17.719 GPRESSAVG: 2074600 65.2932 34.3687 29.4488 33.5621 -45.4608 29.2508 28.6657 29.4004 -17.5621 TIMING: 2074600 CPU: 6014.29, 0.00287841/step Wall: 6014.29, 0.00287841/step, 2.33903 hours remaining, 208.046875 MB of memory in use. ENERGY: 2074600 753.4053 2081.0851 1943.1442 105.2061 -205942.8187 17727.2514 0.0000 0.0000 34078.4056 -149254.3210 297.6152 -183332.7266 -149150.0847 299.2402 -210.1708 -176.0653 558997.4110 0.7998 0.7568 PRESSURE: 2074800 -116.533 -38.6741 -89.6517 -38.6749 -88.1287 52.8574 -89.6523 52.856 -9.38879 GPRESSURE: 2074800 -128.319 -31.5714 -69.1793 30.08 -33.4114 5.85716 -79.4538 26.7566 50.5093 PRESSAVG: 2074800 71.5328 13.9577 -18.0953 13.9577 27.0459 5.50688 -18.0952 5.50691 -56.5771 GPRESSAVG: 2074800 72.0343 12.7004 -18.1663 13.6364 26.8638 5.65685 -19.0843 3.94705 -56.7755 TIMING: 2074800 CPU: 6014.87, 0.00288012/step Wall: 6014.87, 0.00288012/step, 2.34025 hours remaining, 208.046875 MB of memory in use. ENERGY: 2074800 760.7181 2009.6985 1949.3466 96.1718 -206059.3914 17813.4405 0.0000 0.0000 34322.1471 -149107.8688 299.7438 -183430.0159 -149008.8911 298.7486 -71.3503 -37.0738 557789.2432 14.0005 14.0409 PRESSURE: 2075000 -126.889 -8.87573 11.3643 -8.87439 -119.468 19.793 11.3658 19.7922 -28.7298 GPRESSURE: 2075000 -134.212 33.0645 1.39564 -90.5739 -67.3752 -7.85856 12.5667 28.9971 23.1049 PRESSAVG: 2075000 -7.91177 54.5647 -17.5136 54.5647 -15.0598 -43.8169 -17.5136 -43.8169 41.7963 GPRESSAVG: 2075000 -7.50994 53.1912 -16.8906 55.2965 -15.2634 -43.2479 -14.9856 -43.1736 41.3291 TIMING: 2075000 CPU: 6015.45, 0.0028877/step Wall: 6015.45, 0.0028877/step, 2.34626 hours remaining, 208.046875 MB of memory in use. ENERGY: 2075000 736.2392 2090.4961 1935.8062 124.6727 -206009.3906 17713.3698 0.0000 0.0000 34277.7312 -149131.0755 299.3560 -183408.8067 -149036.6584 299.6262 -91.6956 -59.4941 559120.0910 6.2749 6.1853 PRESSURE: 2075200 -59.5925 59.8649 140.158 59.8649 -15.0446 21.2208 140.158 21.2212 55.7627 GPRESSURE: 2075200 -22.966 163.269 55.435 33.0661 -8.36048 69.4325 119.396 112.803 108.32 PRESSAVG: 2075200 35.8335 6.74661 -56.5677 6.74664 -45.1335 -7.78927 -56.5678 -7.78937 22.0283 GPRESSAVG: 2075200 35.2418 8.28523 -55.9312 7.93962 -44.1517 -7.61141 -60.1672 -6.94954 22.1559 TIMING: 2075200 CPU: 6016.03, 0.00290058/step Wall: 6016.03, 0.00290058/step, 2.35656 hours remaining, 208.046875 MB of memory in use. ENERGY: 2075200 739.7524 2069.2910 1933.0540 107.6252 -206181.1871 17878.0931 0.0000 0.0000 34228.3077 -149225.0637 298.9243 -183453.3714 -149134.5936 299.2182 -6.2915 25.6645 557931.7174 4.2428 4.4153 PRESSURE: 2075400 -71.2599 18.7001 -149.308 18.7007 -61.3694 -113.378 -149.308 -113.379 -103.809 GPRESSURE: 2075400 -25.2147 126.651 -62.0011 -21.6619 -42.5666 -84.3013 -192.45 -66.7138 -76.5114 PRESSAVG: 2075400 27.1277 6.77534 -26.4995 6.77521 22.4382 -44.182 -26.4996 -44.1821 -21.1629 GPRESSAVG: 2075400 28.3869 6.29421 -27.4707 6.82917 21.5764 -45.4851 -25.3499 -44.5057 -21.6766 TIMING: 2075400 CPU: 6016.6, 0.00286908/step Wall: 6016.6, 0.00286908/step, 2.33081 hours remaining, 208.046875 MB of memory in use. ENERGY: 2075400 741.6791 2101.6831 1909.4459 98.9165 -205628.8231 17441.4538 0.0000 0.0000 34338.5853 -148997.0594 299.8874 -183335.6447 -148904.7772 299.3964 -78.8127 -48.0976 557193.8787 9.4676 9.4289 PRESSURE: 2075600 270.024 157.388 -180.821 157.389 -32.5515 82.3485 -180.821 82.349 -20.4727 GPRESSURE: 2075600 225.334 154.002 -124.758 171.181 29.4021 63.6962 -301.869 50.0971 56.1758 PRESSAVG: 2075600 13.6298 32.1291 -4.06617 32.1293 34.1273 -17.998 -4.06623 -17.9981 -20.4488 GPRESSAVG: 2075600 12.4785 32.3883 -4.16092 31.2485 34.6837 -17.1161 -2.16578 -17.6194 -19.3949 TIMING: 2075600 CPU: 6017.18, 0.00289555/step Wall: 6017.18, 0.00289555/step, 2.35215 hours remaining, 208.046875 MB of memory in use. ENERGY: 2075600 732.9478 2095.7484 1940.2039 106.7343 -206171.5733 17953.2032 0.0000 0.0000 34529.9793 -148812.7564 301.5589 -183342.7357 -148718.1348 299.7008 72.3335 103.6374 558744.5744 9.1028 9.2558 PRESSURE: 2075800 -115.45 -146.331 -204.976 -146.331 282.628 -21.2416 -204.975 -21.2438 46.9536 GPRESSURE: 2075800 -137.781 -114.183 -210.431 -155.771 308.589 -22.0231 -139.236 -48.8788 135.907 PRESSAVG: 2075800 35.2013 34.3863 16.9023 34.3862 20.5595 -55.2438 16.9022 -55.2439 -46.496 GPRESSAVG: 2075800 35.1214 34.6163 18.0301 35.378 20.342 -55.637 16.2036 -55.1179 -46.5407 TIMING: 2075800 CPU: 6017.75, 0.00287633/step Wall: 6017.75, 0.00287633/step, 2.33638 hours remaining, 208.046875 MB of memory in use. ENERGY: 2075800 752.2009 2052.9933 1937.4990 102.7168 -206091.7801 17839.1644 0.0000 0.0000 34617.9916 -148789.2140 302.3275 -183407.2056 -148685.8636 301.0621 71.3769 102.2381 557618.9656 3.0882 2.9742 PRESSURE: 2076000 -348.901 -9.56593 88.8323 -9.56536 -363.583 43.5979 88.8325 43.5985 -75.1886 GPRESSURE: 2076000 -370.79 -14.0991 85.2331 21.8123 -304.924 36.9237 177.133 112.891 0.815497 PRESSAVG: 2076000 -3.19981 -42.809 24.0206 -42.8089 -7.86911 24.037 24.0206 24.037 15.6467 GPRESSAVG: 2076000 -2.80348 -43.3881 21.632 -43.9923 -8.34243 24.1867 24.392 23.6898 15.409 TIMING: 2076000 CPU: 6018.34, 0.00293509/step Wall: 6018.34, 0.00293509/step, 2.38395 hours remaining, 208.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2076000 746.5454 2090.7536 1940.6345 112.4494 -205340.7007 17376.5915 0.0000 0.0000 34400.6063 -148673.1201 300.4291 -183073.7264 -148574.6281 300.3387 -262.5577 -224.9659 559556.0110 1.5259 1.4210 PRESSURE: 2076200 104.118 -109.319 103.863 -109.32 -31.2666 38.6499 103.863 38.6482 100.017 GPRESSURE: 2076200 102.162 -53.6891 147.165 -127.14 -3.21551 60.4674 65.5788 29.0819 153.609 PRESSAVG: 2076200 -61.1042 -38.251 31.0024 -38.2508 3.55542 7.52983 31.0024 7.52987 71.7156 GPRESSAVG: 2076200 -61.6148 -38.9075 33.4545 -37.6494 4.03942 8.7285 29.9217 8.85174 71.1112 TIMING: 2076200 CPU: 6018.92, 0.00291322/step Wall: 6018.92, 0.00291322/step, 2.36602 hours remaining, 208.046875 MB of memory in use. ENERGY: 2076200 739.2381 2167.7040 1966.3106 99.2785 -205803.4245 17876.5548 0.0000 0.0000 34383.9341 -148570.4044 300.2834 -182954.3385 -148471.3447 300.9921 57.6230 84.1851 559002.4764 4.7223 4.5119 LDB: ============= START OF LOAD BALANCING ============== 6022.31 LDB: ============== END OF LOAD BALANCING =============== 6022.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6022.31 LDB: ============= START OF LOAD BALANCING ============== 6022.6 LDB: Largest compute 4793 load 0.022353 is 19.0% of average load 0.117796 LDB: Average compute 0.001750 is 1.5% of average load 0.117796 LDB: TIME 6022.6 LOAD: AVG 0.117796 MAX 0.180206 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.074 MB LDB: TIME 6022.6 LOAD: AVG 0.117796 MAX 0.180206 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.316 MB LDB: TIME 6022.6 LOAD: AVG 0.117796 MAX 0.180206 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6022.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6022.61 PRESSURE: 2076400 12.839 -17.599 -58.5653 -17.6001 -15.5429 -137.7 -58.5642 -137.7 -70.0597 GPRESSURE: 2076400 49.3297 55.5636 -44.1267 -40.0093 3.51827 -170.411 -21.7035 -181.03 -24.8187 PRESSAVG: 2076400 -17.0778 -31.3352 19.7567 -31.3352 12.8495 -23.6139 19.7567 -23.614 -13.6355 GPRESSAVG: 2076400 -17.1216 -28.8428 18.908 -31.2722 12.7176 -23.9442 21.802 -24.7723 -13.5802 TIMING: 2076400 CPU: 6019.51, 0.00292673/step Wall: 6019.51, 0.00292674/step, 2.37683 hours remaining, 209.917969 MB of memory in use. ENERGY: 2076400 715.3885 2109.6561 1957.6041 112.3334 -205693.1163 17660.0368 0.0000 0.0000 34517.1924 -148620.9051 301.4472 -183138.0975 -148530.1153 300.9506 -24.2545 9.3431 559038.6022 -5.9546 -5.9948 PRESSURE: 2076600 -63.4172 7.24527 40.3224 7.24602 78.2829 -85.6694 40.3222 -85.6697 -142.852 GPRESSURE: 2076600 -9.54069 -67.1067 -9.79784 29.4396 115.547 -85.1957 78.8862 -65.0671 -130.392 PRESSAVG: 2076600 8.97913 -18.0584 14.3879 -18.0583 -16.8019 39.2602 14.3879 39.2602 34.3238 GPRESSAVG: 2076600 10.2766 -18.8878 14.3887 -18.3455 -17.4345 37.5342 13.4809 40.0993 34.1282 TIMING: 2076600 CPU: 6020.09, 0.00289008/step Wall: 6020.09, 0.00289008/step, 2.3469 hours remaining, 210.121094 MB of memory in use. ENERGY: 2076600 748.6840 2143.3862 1937.7844 120.2190 -205753.8619 17736.1306 0.0000 0.0000 34491.3484 -148576.3091 301.2215 -183067.6576 -148481.7693 301.3905 -42.6620 -8.1286 560244.9787 8.8337 8.9901 PRESSURE: 2076800 92.4143 -43.5864 98.1049 -43.5866 250.005 134.765 98.1054 134.764 -117.942 GPRESSURE: 2076800 144.497 -114.558 22.5638 -41.5365 266.356 137.396 88.6894 210.309 -93.7629 PRESSAVG: 2076800 68.9832 8.69554 -18.0549 8.69553 -6.07835 -21.3145 -18.0548 -21.3146 -26.639 GPRESSAVG: 2076800 68.3086 8.87508 -18.7384 8.44872 -4.98186 -19.3875 -15.9857 -21.6134 -26.9879 TIMING: 2076800 CPU: 6020.66, 0.00286772/step Wall: 6020.66, 0.00286772/step, 2.32859 hours remaining, 210.121094 MB of memory in use. ENERGY: 2076800 717.0874 2091.9808 1958.9602 114.0407 -206195.5225 17930.8793 0.0000 0.0000 34529.6195 -148852.9546 301.5558 -183382.5741 -148761.8540 300.8180 74.8259 105.6969 558874.8151 12.0886 12.1130 PRESSURE: 2077000 -46.3936 -94.4145 90.8979 -94.4129 -261.942 24.0779 90.9004 24.0776 -81.4093 GPRESSURE: 2077000 -1.33178 -139.013 127.798 -77.964 -252.339 33.2988 108.081 -46.9462 -39.6062 PRESSAVG: 2077000 37.8413 -40.6011 -32.0319 -40.6011 -1.2014 23.2314 -32.032 23.2313 -9.36593 GPRESSAVG: 2077000 39.3429 -40.2757 -31.6859 -40.7017 -1.77931 21.9625 -33.3881 22.7609 -9.80454 TIMING: 2077000 CPU: 6021.24, 0.00286927/step Wall: 6021.24, 0.00286927/step, 2.32969 hours remaining, 210.121094 MB of memory in use. ENERGY: 2077000 761.2919 2137.9114 1958.4009 112.8827 -205508.1184 17433.4194 0.0000 0.0000 34281.2201 -148822.9919 299.3864 -183104.2120 -148729.2121 300.3224 -129.9151 -97.7591 556815.1002 9.0913 9.2530 PRESSURE: 2077200 -97.1229 -44.2007 31.8584 -44.1993 137.069 55.4583 31.8576 55.4601 -139 GPRESSURE: 2077200 -37.7436 -59.7539 62.0763 -26.5872 136.768 -60.0795 83.7852 63.0008 -107.379 PRESSAVG: 2077200 70.9861 -23.5253 30.2753 -23.5253 -54.9132 11.112 30.2752 11.112 -16.7006 GPRESSAVG: 2077200 70.438 -22.996 31.2399 -24.4658 -54.7903 11.542 30.939 11.1638 -16.3744 TIMING: 2077200 CPU: 6021.81, 0.00288031/step Wall: 6021.81, 0.00288031/step, 2.33849 hours remaining, 210.121094 MB of memory in use. ENERGY: 2077200 701.2522 2125.6885 1954.7933 121.8336 -205771.4211 17623.1165 0.0000 0.0000 34389.7818 -148854.9552 300.3345 -183244.7370 -148759.0931 300.5348 -33.0179 -2.7847 556648.7645 -0.2092 -0.2422 PRESSURE: 2077400 -34.6173 -246.727 189.222 -246.728 143.049 -13.3131 189.223 -13.3137 -69.2277 GPRESSURE: 2077400 -19.8444 -195.433 170.195 -234.243 173.235 -30.6936 206.644 7.27124 -17.4147 PRESSAVG: 2077400 -32.6451 -35.378 -23.6872 -35.3782 -3.80344 -22.2443 -23.6872 -22.2444 32.5431 GPRESSAVG: 2077400 -33.1712 -37.6184 -23.1562 -33.6432 -4.02139 -21.7296 -26.307 -22.2811 33.0483 TIMING: 2077400 CPU: 6022.39, 0.00287691/step Wall: 6022.39, 0.00287691/step, 2.33557 hours remaining, 210.121094 MB of memory in use. ENERGY: 2077400 753.0385 2069.2229 1951.0101 115.2290 -206136.9248 17985.9246 0.0000 0.0000 34365.2455 -148897.2542 300.1202 -183262.4997 -148795.0134 300.1450 13.0681 45.3255 558465.7104 -1.3018 -1.3815 PRESSURE: 2077600 150.347 154.517 -63.2387 154.517 27.7764 -52.1726 -63.2384 -52.1719 48.5011 GPRESSURE: 2077600 182.475 113.557 -146.377 144.304 41.7149 -97.1652 -37.8646 -21.5504 84.4891 PRESSAVG: 2077600 -20.9802 -44.2877 36.9529 -44.2877 -24.2389 -2.70792 36.9528 -2.70792 22.0599 GPRESSAVG: 2077600 -19.5272 -42.1642 33.1595 -44.8989 -25.1798 -1.00822 39.137 -5.02307 21.1639 TIMING: 2077600 CPU: 6022.97, 0.00290969/step Wall: 6022.97, 0.00290969/step, 2.36202 hours remaining, 210.121094 MB of memory in use. ENERGY: 2077600 753.8189 2074.6063 1928.3935 113.5560 -205909.8249 17819.4576 0.0000 0.0000 34273.4901 -148946.5025 299.3189 -183219.9927 -148852.7101 300.0116 75.5414 102.8929 557862.7170 -7.7198 -7.8477 PRESSURE: 2077800 -291.864 -42.7716 197.522 -42.7713 -292.244 -126.608 197.523 -126.608 -152.044 GPRESSURE: 2077800 -230.277 -50.9604 169.153 -15.2921 -220.776 -186.887 192.416 -70.134 -203.738 PRESSAVG: 2077800 6.67323 -20.0002 13.5384 -20.0002 -21.8392 -1.0779 13.5383 -1.07793 -27.4931 GPRESSAVG: 2077800 4.86982 -20.8582 15.0467 -19.3872 -21.4414 -3.54249 13.2758 2.63172 -25.9668 TIMING: 2077800 CPU: 6023.55, 0.00289262/step Wall: 6023.55, 0.00289262/step, 2.34801 hours remaining, 210.121094 MB of memory in use. ENERGY: 2077800 748.6571 2067.4962 1957.7374 107.6580 -205436.0306 17368.9051 0.0000 0.0000 34213.4569 -148972.1200 298.7946 -183185.5769 -148880.7324 300.2017 -245.3838 -218.2637 558170.6097 -14.2197 -14.1795 PRESSURE: 2078000 169.268 50.2118 105.933 50.2116 -218.154 -0.220836 105.933 -0.22079 -187.492 GPRESSURE: 2078000 125.952 100.092 92.9106 26.5165 -135.956 -49.4122 207.904 -53.8538 -120.546 PRESSAVG: 2078000 14.0629 18.3906 6.116 18.3907 17.0738 50.9945 6.11601 50.9944 12.0125 GPRESSAVG: 2078000 14.4397 18.5178 7.1733 16.4905 17.2616 51.8471 5.74251 49.4865 11.515 TIMING: 2078000 CPU: 6024.12, 0.00287853/step Wall: 6024.12, 0.00287853/step, 2.33641 hours remaining, 210.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2078000 759.2793 2042.3356 1941.7505 115.4132 -206216.3219 17835.0021 0.0000 0.0000 34506.6724 -149015.8690 301.3554 -183522.5413 -148923.7971 299.9230 -78.7929 -43.5166 556162.3836 14.3831 14.4054 PRESSURE: 2078200 -387.491 127.876 142.842 127.878 -41.9337 100.045 142.839 100.045 85.8741 GPRESSURE: 2078200 -422.752 134.707 151.18 106.308 -16.9724 39.7552 112.091 62.1084 194.876 PRESSAVG: 2078200 -3.58577 4.83832 32.293 4.83826 -16.9083 54.5564 32.293 54.5564 6.13925 GPRESSAVG: 2078200 -3.43255 3.83598 30.1691 5.59217 -15.9118 54.9755 34.3406 53.3908 5.31747 TIMING: 2078200 CPU: 6024.7, 0.00287644/step Wall: 6024.7, 0.00287644/step, 2.33455 hours remaining, 210.378906 MB of memory in use. ENERGY: 2078200 706.9278 2066.2409 1940.3521 104.4570 -205945.6539 17578.5851 0.0000 0.0000 34510.5311 -149038.5598 301.3891 -183549.0909 -148943.4067 300.0755 -114.5170 -81.6161 557850.1725 -4.7849 -4.6756 PRESSURE: 2078400 -31.7741 -91.5366 126.813 -91.5365 -318.261 69.2476 126.813 69.2487 -147.863 GPRESSURE: 2078400 33.2761 -65.5069 84.2266 -36.3378 -262.382 18.5682 121.016 81.9501 -174.556 PRESSAVG: 2078400 -34.2991 -87.1248 25.0314 -87.1249 -26.115 37.5865 25.0314 37.5865 50.0931 GPRESSAVG: 2078400 -34.3368 -85.8075 25.2612 -84.5877 -27.0948 38.0507 24.1314 38.7444 50.9494 TIMING: 2078400 CPU: 6025.28, 0.00290614/step Wall: 6025.28, 0.00290614/step, 2.35849 hours remaining, 210.378906 MB of memory in use. ENERGY: 2078400 751.9420 2056.8166 1953.4703 108.1107 -205731.4456 17500.1227 0.0000 0.0000 34328.9214 -149032.0618 299.8030 -183360.9832 -148936.1737 299.7397 -165.9661 -134.5540 557148.4684 -3.4403 -3.4941 PRESSURE: 2078600 -83.9477 57.9045 4.57404 57.9042 -40.385 77.1207 4.57309 77.1198 34.4873 GPRESSURE: 2078600 -91.2509 35.2897 20.1174 45.1598 35.3424 119.711 -11.4738 76.9817 60.5817 PRESSAVG: 2078600 12.0121 -35.4591 8.75855 -35.4591 -19.1154 43.0513 8.75863 43.0512 -7.39596 GPRESSAVG: 2078600 11.5819 -36.5724 10.2394 -36.4966 -19.0203 40.5728 7.86688 43.6171 -6.9956 TIMING: 2078600 CPU: 6025.86, 0.00288948/step Wall: 6025.86, 0.00288948/step, 2.34481 hours remaining, 210.378906 MB of memory in use. ENERGY: 2078600 742.5070 2135.0699 1951.9701 117.0485 -206242.7658 17939.2830 0.0000 0.0000 34198.9194 -149157.9680 298.6677 -183356.8874 -149060.6153 299.1691 -29.9485 1.5577 558281.9317 -4.8331 -4.8113 PRESSURE: 2078800 -93.5959 109.944 -15.8133 109.945 -94.5975 122.4 -15.8132 122.401 -40.7036 GPRESSURE: 2078800 -83.3925 118.487 91.407 82.4637 -38.8444 41.7022 54.5084 182.988 -11.4865 PRESSAVG: 2078800 -43.467 -24.5466 1.56551 -24.5467 -23.6312 6.4088 1.56542 6.40862 76.4536 GPRESSAVG: 2078800 -43.1648 -22.5498 2.02536 -28.0688 -23.988 7.96462 2.29117 6.06884 76.5869 TIMING: 2078800 CPU: 6026.44, 0.00291048/step Wall: 6026.44, 0.00291048/step, 2.36169 hours remaining, 210.378906 MB of memory in use. ENERGY: 2078800 767.4343 2122.7102 1959.7789 111.1965 -206423.1313 17888.8078 0.0000 0.0000 34509.2943 -149063.9093 301.3783 -183573.2036 -148968.6841 299.5678 -76.2990 -44.5745 558533.3194 3.1184 3.1447 PRESSURE: 2079000 158.829 145.056 -11.725 145.056 -77.2588 73.2426 -11.7245 73.2429 233.267 GPRESSURE: 2079000 152.146 160.469 -18.0247 90.0039 -29.9885 136.396 43.8814 54.149 296.757 PRESSAVG: 2079000 -26.6718 26.2723 -7.25832 26.2723 -44.7265 -18.7824 -7.25827 -18.7824 61.5609 GPRESSAVG: 2079000 -27.2198 25.1209 -7.73982 28.5902 -44.6619 -18.1563 -6.33019 -18.1369 61.8707 TIMING: 2079000 CPU: 6027.02, 0.00289221/step Wall: 6027.02, 0.00289221/step, 2.3467 hours remaining, 210.378906 MB of memory in use. ENERGY: 2079000 743.3873 2114.6242 1980.0693 117.8528 -206533.4489 18079.8223 0.0000 0.0000 34353.9631 -149143.7300 300.0217 -183497.6931 -149049.0660 299.5464 104.9458 139.6380 556359.2255 -3.2791 -3.3370 PRESSURE: 2079200 193.36 -95.8152 92.1757 -95.8149 127.874 -45.8735 92.1749 -45.8737 -217.309 GPRESSURE: 2079200 217.22 -41.0929 94.2886 -52.2455 157.671 26.6783 24.0869 -120.074 -174.263 PRESSAVG: 2079200 104.722 -90.0381 33.4681 -90.0381 -55.8019 59.4434 33.468 59.4434 -43.3669 GPRESSAVG: 2079200 104.051 -88.2704 30.2636 -88.5437 -56.2126 59.0044 31.933 57.0234 -42.8029 TIMING: 2079200 CPU: 6027.59, 0.00288324/step Wall: 6027.59, 0.00288324/step, 2.33927 hours remaining, 210.378906 MB of memory in use. ENERGY: 2079200 721.8115 2116.5964 1950.8575 116.5721 -206458.6408 17807.2916 0.0000 0.0000 34580.8736 -149164.6382 302.0034 -183745.5117 -149062.2055 300.0976 34.6414 66.8759 556097.8532 1.8511 1.6784 PRESSURE: 2079400 -129.447 53.6008 -28.7114 53.6 35.2434 39.8374 -28.7115 39.8361 -156.564 GPRESSURE: 2079400 -127.214 45.3 34.0582 91.1775 49.9247 32.2304 -41.8282 -9.10921 -86.5054 PRESSAVG: 2079400 12.0896 27.8369 -48.7547 27.8368 -30.3441 23.8269 -48.7547 23.8269 -3.42493 GPRESSAVG: 2079400 13.2507 25.6827 -45.8412 26.6687 -30.4163 23.0622 -48.5542 26.9511 -5.32124 TIMING: 2079400 CPU: 6028.17, 0.00288549/step Wall: 6028.17, 0.00288549/step, 2.34094 hours remaining, 210.378906 MB of memory in use. ENERGY: 2079400 766.8268 2091.3650 1941.6806 114.7441 -206655.3385 17856.1457 0.0000 0.0000 34583.1643 -149301.4120 302.0234 -183884.5763 -149211.6975 299.4001 -83.5892 -54.5983 555933.3729 -7.2265 -7.4956 PRESSURE: 2079600 -205.505 74.6862 -99.9545 74.6867 12.9967 -76.5092 -99.9533 -76.51 89.6886 GPRESSURE: 2079600 -122.073 24.3968 -65.8541 120.434 10.0429 -61.5777 -105.553 -29.4225 114.539 PRESSAVG: 2079600 31.2683 37.3434 -26.1606 37.3433 -2.29733 29.3333 -26.1606 29.3334 -1.95175 GPRESSAVG: 2079600 30.3268 37.3959 -27.6254 37.4981 -2.26901 31.6551 -26.3898 27.2262 -0.634284 TIMING: 2079600 CPU: 6028.75, 0.00288216/step Wall: 6028.75, 0.00288216/step, 2.33807 hours remaining, 210.378906 MB of memory in use. ENERGY: 2079600 748.5177 2067.3112 1948.1187 120.9739 -206278.8737 17746.6499 0.0000 0.0000 34287.2874 -149360.0149 299.4394 -183647.3023 -149267.3978 299.8421 -34.2732 0.8365 555071.5195 9.0064 9.1412 PRESSURE: 2079800 300.698 -99.1786 48.3316 -99.179 -65.6202 -18.6306 48.3309 -18.6307 45.21 GPRESSURE: 2079800 289.466 -87.7134 26.5215 -111.037 2.12662 -10.3985 106.397 20.8383 81.9011 PRESSAVG: 2079800 29.985 -42.6028 -11.3385 -42.6026 -13.5102 23.8172 -11.3385 23.8172 -11.843 GPRESSAVG: 2079800 30.1306 -42.3756 -12.7323 -43.5642 -11.7824 21.5562 -9.23228 25.3621 -12.6736 TIMING: 2079800 CPU: 6029.33, 0.00288812/step Wall: 6029.33, 0.00288812/step, 2.34274 hours remaining, 210.378906 MB of memory in use. ENERGY: 2079800 709.1023 2060.3857 1943.5007 116.3141 -206661.6858 18041.0216 0.0000 0.0000 34230.1598 -149561.2016 298.9405 -183791.3615 -149459.8906 298.1805 93.4293 124.4978 556188.7234 1.5439 1.8915 PRESSURE: 2080000 -67.6661 -137.273 209.723 -137.274 -88.6491 57.0799 209.723 57.0822 148.964 GPRESSURE: 2080000 -56.8152 -96.2292 126.9 -138.448 -23.0312 66.442 266.278 66.9072 179.279 PRESSAVG: 2080000 35.6214 -78.05 34.9444 -78.05 80.5175 33.4691 34.9443 33.4691 -51.6637 GPRESSAVG: 2080000 35.8184 -76.064 35.5009 -78.9569 80.5438 32.8822 33.9198 31.8487 -51.9333 TIMING: 2080000 CPU: 6029.9, 0.00287531/step Wall: 6029.9, 0.00287531/step, 2.3322 hours remaining, 210.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2080000 717.2509 2082.0788 1924.5034 115.0332 -206309.7190 17832.7689 0.0000 0.0000 34333.9718 -149304.1119 299.8471 -183638.0837 -149203.5012 298.7392 -2.4503 33.1443 556066.7645 21.4917 21.4763 PRESSURE: 2080200 62.289 15.5862 138.581 15.587 -28.5931 -63.512 138.582 -63.5114 161.374 GPRESSURE: 2080200 140.923 -9.97999 146.139 95.168 -46.2643 11.8579 170.239 -115.426 202.839 PRESSAVG: 2080200 -59.7958 -26.1551 33.5743 -26.1551 -25.9589 27.1699 33.5744 27.1699 106.675 GPRESSAVG: 2080200 -58.9441 -28.0526 36.3497 -25.095 -27.6655 28.1033 33.3938 27.8925 107.919 TIMING: 2080200 CPU: 6030.48, 0.00290853/step Wall: 6030.48, 0.00290853/step, 2.35898 hours remaining, 210.378906 MB of memory in use. ENERGY: 2080200 688.4846 2070.2558 1928.4515 127.7886 -206214.2080 17783.0189 0.0000 0.0000 34247.2979 -149368.9107 299.0902 -183616.2086 -149270.2244 298.7477 65.0233 99.1659 556934.2805 6.9734 7.1031 LDB: ============= START OF LOAD BALANCING ============== 6033.87 LDB: ============== END OF LOAD BALANCING =============== 6033.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6033.87 LDB: ============= START OF LOAD BALANCING ============== 6034.16 LDB: Largest compute 4793 load 0.021264 is 18.0% of average load 0.117893 LDB: Average compute 0.001740 is 1.5% of average load 0.117893 LDB: TIME 6034.16 LOAD: AVG 0.117893 MAX 0.180147 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.32 MB LDB: TIME 6034.16 LOAD: AVG 0.117893 MAX 0.180147 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: TIME 6034.16 LOAD: AVG 0.117893 MAX 0.180147 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6034.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6034.17 PRESSURE: 2080400 117.297 39.5009 -28.667 39.5005 97.1131 116.43 -28.6682 116.429 -68.4337 GPRESSURE: 2080400 123.616 25.36 -21.0043 31.5262 114.871 85.3531 48.9515 155.508 4.15693 PRESSAVG: 2080400 -2.63191 9.97276 51.7804 9.97273 16.1706 -9.1955 51.7804 -9.19546 -37.7675 GPRESSAVG: 2080400 -2.74319 8.96988 51.8585 11.725 16.41 -8.76863 50.7961 -9.571 -38.1003 TIMING: 2080400 CPU: 6031.07, 0.00294807/step Wall: 6031.07, 0.00294807/step, 2.39088 hours remaining, 209.410156 MB of memory in use. ENERGY: 2080400 727.8710 2043.4369 1965.6672 109.8301 -206391.6058 17849.7558 0.0000 0.0000 34329.7649 -149365.2798 299.8104 -183695.0447 -149266.5054 298.6153 48.6588 80.8812 556597.3569 -8.0763 -8.1445 PRESSURE: 2080600 -118.427 20.3867 -62.0957 20.3864 -83.2315 1.02854 -62.0944 1.02807 -155.747 GPRESSURE: 2080600 -104.988 111.162 -101.481 -33.3402 -58.5878 60.7904 -39.2824 -21.1852 -79.7689 PRESSAVG: 2080600 6.43303 9.35419 -61.7474 9.35412 62.7586 16.65 -61.7475 16.6499 -16.3256 GPRESSAVG: 2080600 6.3948 11.0509 -64.6878 7.48142 63.097 17.9345 -60.9468 17.2275 -15.8464 TIMING: 2080600 CPU: 6031.65, 0.00289934/step Wall: 6031.65, 0.00289934/step, 2.3512 hours remaining, 209.550781 MB of memory in use. ENERGY: 2080600 795.5352 2113.9105 1946.6786 116.3932 -206402.3888 17757.3840 0.0000 0.0000 34245.2335 -149427.2538 299.0721 -183672.4873 -149326.4548 299.1685 -119.1350 -81.1149 555762.2259 17.6220 17.8818 PRESSURE: 2080800 22.569 -144.485 117.186 -144.483 -181.626 4.1132 117.186 4.11319 101.229 GPRESSURE: 2080800 28.3267 -45.2913 9.29453 -169.015 -147.794 53.4666 105.314 37.1443 175.686 PRESSAVG: 2080800 58.1809 -23.6737 1.38725 -23.6738 -53.6896 -29.2407 1.38713 -29.2407 -15.5633 GPRESSAVG: 2080800 59.2304 -23.4846 1.7769 -23.7066 -54.0114 -33.5938 2.77996 -26.431 -16.1983 TIMING: 2080800 CPU: 6032.23, 0.00287333/step Wall: 6032.23, 0.00287333/step, 2.32995 hours remaining, 209.550781 MB of memory in use. ENERGY: 2080800 711.0635 2028.9219 1953.4518 129.7366 -206237.5627 17799.4687 0.0000 0.0000 34075.2488 -149539.6714 297.5876 -183614.9202 -149440.9286 299.3592 -19.2762 18.7396 554225.6408 -3.6907 -3.6598 PRESSURE: 2081000 112.108 -73.2461 6.535 -73.2462 -242.658 127.972 6.53535 127.972 -122.099 GPRESSURE: 2081000 108.239 -52.131 20.8647 5.47514 -204.124 116.821 37.7679 112.016 -64.4827 PRESSAVG: 2081000 3.53489 46.6392 -0.295925 46.6392 -47.1356 8.30009 -0.29593 8.30021 24.5767 GPRESSAVG: 2081000 2.68506 45.4021 2.69629 47.747 -46.8489 11.4309 -1.53529 6.24692 24.7592 TIMING: 2081000 CPU: 6032.8, 0.00288129/step Wall: 6032.8, 0.00288129/step, 2.33624 hours remaining, 209.550781 MB of memory in use. ENERGY: 2081000 760.7008 2066.9813 1945.2076 116.5124 -206029.0031 17728.3286 0.0000 0.0000 33962.8727 -149448.3998 296.6062 -183411.2725 -149355.9798 298.4876 -84.2161 -53.4558 556360.6822 -6.3413 -6.4682 PRESSURE: 2081200 72.3192 143.724 46.0753 143.723 18.7496 -6.83261 46.0757 -6.83112 -86.4181 GPRESSURE: 2081200 101.279 74.667 52.6059 79.1118 29.3496 11.6853 24.0696 15.0751 -25.2414 PRESSAVG: 2081200 -13.3187 13.9915 -23.8158 13.9915 2.10079 -6.99953 -23.8158 -6.99952 32.9691 GPRESSAVG: 2081200 -12.9267 13.9923 -25.4749 13.5297 2.75563 -8.09675 -22.9627 -7.9192 32.5957 TIMING: 2081200 CPU: 6033.38, 0.00287854/step Wall: 6033.38, 0.00287854/step, 2.33385 hours remaining, 209.550781 MB of memory in use. ENERGY: 2081200 710.3897 2105.7895 1962.8799 114.5524 -205881.3467 17573.8376 0.0000 0.0000 34068.4340 -149345.4637 297.5281 -183413.8976 -149254.3815 297.8992 1.5502 35.1292 555933.8208 7.2504 7.4749 PRESSURE: 2081400 100.19 71.9247 96.9316 71.9254 361.03 -40.0128 96.9312 -40.0126 275.042 GPRESSURE: 2081400 167.395 106.676 119.448 25.0965 351.016 -59.6286 55.5381 -143.392 320.953 PRESSAVG: 2081400 62.6962 6.49185 49.9691 6.49179 -1.29767 -16.6118 49.9691 -16.6117 1.36871 GPRESSAVG: 2081400 63.4264 6.58617 50.1175 8.44342 -1.9153 -18.0778 51.1059 -15.9097 0.920553 TIMING: 2081400 CPU: 6033.96, 0.00290026/step Wall: 6033.96, 0.00290026/step, 2.35131 hours remaining, 209.550781 MB of memory in use. ENERGY: 2081400 721.8351 2079.8468 1937.4871 116.9576 -206293.8643 17940.9389 0.0000 0.0000 34199.1809 -149297.6179 298.6700 -183496.7988 -149205.1105 298.6137 245.4210 279.7879 555067.6565 20.9224 20.8105 PRESSURE: 2081600 134.274 57.6199 90.164 57.6194 257.77 57.5004 90.1629 57.4993 81.4581 GPRESSURE: 2081600 155.434 130.623 92.8271 56.0908 280.954 56.3645 57.6877 118.107 146.521 PRESSAVG: 2081600 -35.8489 26.653 2.68709 26.6529 -12.9263 -2.50332 2.68705 -2.50326 44.5032 GPRESSAVG: 2081600 -35.6635 27.1131 1.03817 24.2136 -13.1813 -1.78372 1.26679 -1.46738 44.2375 TIMING: 2081600 CPU: 6034.54, 0.0029046/step Wall: 6034.54, 0.0029046/step, 2.35466 hours remaining, 209.550781 MB of memory in use. ENERGY: 2081600 733.4170 2056.4393 1943.9866 113.2631 -206306.3321 17966.6311 0.0000 0.0000 34067.9303 -149424.6647 297.5237 -183492.5950 -149327.0966 298.7000 157.8343 194.3031 557431.8776 -1.4240 -1.5358 PRESSURE: 2081800 -12.9659 175.132 -185.884 175.132 52.5247 54.3554 -185.885 54.3573 -3.19923 GPRESSURE: 2081800 -6.83894 108.382 -54.8936 206.672 92.0463 66.428 -298.311 80.1675 45.0493 PRESSAVG: 2081800 13.6195 94.5024 14.5477 94.5024 5.24665 -13.0741 14.5478 -13.0742 -37.1582 GPRESSAVG: 2081800 12.4713 94.2196 16.3235 95.2198 5.36492 -9.56338 12.9848 -15.2712 -36.14 TIMING: 2081800 CPU: 6035.12, 0.00291737/step Wall: 6035.12, 0.00291737/step, 2.36485 hours remaining, 209.550781 MB of memory in use. ENERGY: 2081800 759.8110 2026.5927 1935.5737 140.0288 -206406.6478 18007.0055 0.0000 0.0000 34172.9960 -149364.6400 298.4413 -183537.6360 -149266.5192 298.6634 12.1199 43.4189 557859.4264 -6.0973 -6.1013 PRESSURE: 2082000 97.5166 53.4683 -41.5785 53.4674 -259.38 19.6379 -41.578 19.6389 -64.7123 GPRESSURE: 2082000 167.158 59.2888 -10.0336 -8.89918 -280.116 -11.4071 -30.9232 81.529 -30.6392 PRESSAVG: 2082000 33.4085 -0.887067 -54.0683 -0.887073 -20.1658 10.5288 -54.0685 10.5287 -1.62322 GPRESSAVG: 2082000 33.0776 -2.96572 -52.7804 0.82032 -19.6311 7.49156 -52.551 11.7337 -2.24463 TIMING: 2082000 CPU: 6035.7, 0.00290526/step Wall: 6035.7, 0.00290526/step, 2.35488 hours remaining, 209.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2082000 743.4300 2031.3464 1955.8959 113.8398 -206247.4410 17833.6099 0.0000 0.0000 34194.0307 -149375.2883 298.6250 -183569.3190 -149269.9481 299.0432 -75.5253 -47.8657 557757.6338 3.8732 3.7339 PRESSURE: 2082200 -307.899 -90.503 -56.6171 -90.5021 20.7769 -308.826 -56.6185 -308.826 -194.832 GPRESSURE: 2082200 -301.274 -64.2908 -83.5545 -95.0868 48.1649 -299.937 42.2277 -211.007 -138.31 PRESSAVG: 2082200 48.2607 -31.9004 -39.607 -31.9003 1.50009 -22.9501 -39.607 -22.9502 -65.4845 GPRESSAVG: 2082200 48.1119 -30.3178 -40.5046 -31.9877 2.09755 -22.1325 -39.9336 -22.2625 -65.5314 TIMING: 2082200 CPU: 6036.28, 0.00288455/step Wall: 6036.28, 0.00288455/step, 2.33793 hours remaining, 209.550781 MB of memory in use. ENERGY: 2082200 742.9215 2083.9161 1954.0799 125.5630 -206291.8046 17692.3259 0.0000 0.0000 34167.0224 -149525.9758 298.3891 -183692.9982 -149424.4277 298.3609 -160.6512 -130.4730 558529.0518 -5.2412 -5.1073 PRESSURE: 2082400 -44.4332 -61.7932 149.85 -61.7927 121.652 -21.7238 149.849 -21.723 351.771 GPRESSURE: 2082400 23.1693 -135.727 124.03 43.8186 142.304 -44.4583 70.3229 -25.0562 361.818 PRESSAVG: 2082400 -15.2639 56.913 32.0021 56.913 63.9898 -53.4488 32.0021 -53.4488 -72.1547 GPRESSAVG: 2082400 -14.6153 54.8606 32.8431 58.0977 62.7056 -54.8634 33.2675 -53.073 -71.6258 TIMING: 2082400 CPU: 6036.86, 0.00287796/step Wall: 6036.86, 0.00287796/step, 2.33243 hours remaining, 209.550781 MB of memory in use. ENERGY: 2082400 734.7111 2065.0326 1968.2697 111.7978 -206672.7913 18108.3899 0.0000 0.0000 34069.9968 -149614.5932 297.5418 -183684.5901 -149522.1803 297.6873 142.9969 175.7636 557128.8712 -7.8096 -7.8452 PRESSURE: 2082600 -418.567 70.4877 -8.91693 70.488 77.8186 91.4674 -8.91695 91.4695 -17.0135 GPRESSURE: 2082600 -446.26 50.4686 -82.5232 132.038 164.473 126.666 18.1167 138.593 19.4909 PRESSAVG: 2082600 -100.294 33.8581 -5.26492 33.8581 -27.7963 -21.1524 -5.26486 -21.1524 53.7979 GPRESSAVG: 2082600 -98.9604 35.7104 -6.30574 31.3695 -27.0657 -18.6373 -5.18318 -23.593 52.2816 TIMING: 2082600 CPU: 6037.44, 0.00289409/step Wall: 6037.44, 0.0028941/step, 2.34534 hours remaining, 209.636719 MB of memory in use. ENERGY: 2082600 738.5810 2083.6038 1940.6942 115.8105 -206277.8192 17689.6007 0.0000 0.0000 34202.2147 -149507.3142 298.6964 -183709.5288 -149414.9234 297.8958 -119.2540 -87.4320 556587.1517 -24.7640 -24.5815 PRESSURE: 2082800 -116.105 -10.5411 -92.09 -10.5414 -115.851 12.426 -92.0906 12.426 320.482 GPRESSURE: 2082800 -47.5848 14.9993 -89.7195 -51.4741 -116.172 1.71388 -102.794 19.5277 336.33 PRESSAVG: 2082800 16.315 7.82637 -45.1214 7.82633 18.1237 -9.32108 -45.1214 -9.32115 -39.2402 GPRESSAVG: 2082800 13.1973 8.95196 -45.2613 9.22141 18.7657 -9.77092 -45.6782 -8.22226 -37.8489 TIMING: 2082800 CPU: 6038.01, 0.00289461/step Wall: 6038.01, 0.00289461/step, 2.3456 hours remaining, 209.636719 MB of memory in use. ENERGY: 2082800 672.8799 2139.1819 1936.2168 112.0515 -205987.9967 17635.3462 0.0000 0.0000 33858.5808 -149633.7396 295.6954 -183492.3204 -149542.8718 298.1476 29.5085 57.5246 557135.6811 -1.6005 -1.9620 PRESSURE: 2083000 -253.116 -114.846 -6.90951 -114.846 141.489 -10.9783 -6.90965 -10.9773 -245.021 GPRESSURE: 2083000 -170.005 -183.571 97.838 -38.2843 97.0729 -35.7464 -13.9846 -14.6409 -188.291 PRESSAVG: 2083000 0.126854 -32.9407 -38.2682 -32.9406 -34.7855 -68.3543 -38.2682 -68.3543 81.1146 GPRESSAVG: 2083000 1.25202 -33.7287 -38.7017 -33.7317 -35.5083 -68.3955 -37.6357 -68.8168 80.3949 TIMING: 2083000 CPU: 6038.6, 0.00290662/step Wall: 6038.6, 0.00290662/step, 2.35517 hours remaining, 209.636719 MB of memory in use. ENERGY: 2083000 766.9596 2132.6250 1940.2637 108.7526 -206314.9374 17610.8543 0.0000 0.0000 34131.4184 -149624.0639 298.0782 -183755.4822 -149525.6081 298.2648 -118.8825 -87.0744 556097.0568 15.4853 15.3795 PRESSURE: 2083200 252.99 -24.3858 162.142 -24.3848 -14.0208 -88.3262 162.142 -88.3257 58.6147 GPRESSURE: 2083200 317.312 -33.608 107.59 -9.73938 -39.8056 -86.297 195.006 -3.10036 110.857 PRESSAVG: 2083200 11.1092 9.51905 -4.72126 9.51904 -32.1049 17.3869 -4.7213 17.3869 -37.9938 GPRESSAVG: 2083200 10.8727 9.612 -2.9647 9.2453 -32.7067 17.7751 -6.03292 17.6029 -37.8361 TIMING: 2083200 CPU: 6039.18, 0.00289941/step Wall: 6039.18, 0.00289942/step, 2.34917 hours remaining, 209.636719 MB of memory in use. ENERGY: 2083200 731.4105 2123.5303 1955.2391 113.3237 -206602.8179 18058.0313 0.0000 0.0000 34111.2206 -149510.0623 297.9018 -183621.2829 -149417.0045 298.6060 99.1946 129.4542 557565.2707 -19.6632 -19.8900 PRESSURE: 2083400 252.368 207.924 -4.66182 207.925 144.626 -38.8422 -4.66191 -38.8421 35.7641 GPRESSURE: 2083400 280.718 212.702 -36.6532 114.175 202.364 -13.4052 -65.6875 -65.4456 57.314 PRESSAVG: 2083400 37.0188 72.7091 -16.5805 72.7091 -11.5788 11.7128 -16.5806 11.713 -44.8078 GPRESSAVG: 2083400 36.8663 72.002 -17.0456 71.9617 -10.6449 10.4504 -15.2262 11.9012 -45.7332 TIMING: 2083400 CPU: 6039.75, 0.00289013/step Wall: 6039.75, 0.00289013/step, 2.34149 hours remaining, 209.636719 MB of memory in use. ENERGY: 2083400 730.8357 2135.1406 1945.2191 118.8155 -206869.0511 18333.5051 0.0000 0.0000 34080.4778 -149525.0572 297.6333 -183605.5351 -149433.3396 297.9525 144.2527 180.1318 558341.0327 -6.4559 -6.5039 PRESSURE: 2083600 -79.115 184.018 17.817 184.018 -172.79 -136.106 17.8171 -136.107 -101.396 GPRESSURE: 2083600 -94.2248 124.592 49.8233 222.325 -80.1821 -135.651 3.69532 -89 -80.4279 PRESSAVG: 2083600 7.90349 32.8884 13.3249 32.8883 -2.48611 -4.8446 13.3248 -4.84473 31.1727 GPRESSAVG: 2083600 7.63963 34.9348 13.4696 32.7974 -2.75529 -4.51225 12.0073 -5.14548 31.3202 TIMING: 2083600 CPU: 6040.33, 0.00287401/step Wall: 6040.33, 0.00287401/step, 2.32827 hours remaining, 209.636719 MB of memory in use. ENERGY: 2083600 740.8748 2136.2147 1947.2776 125.6010 -206678.3092 17833.3519 0.0000 0.0000 34504.1916 -149390.7977 301.3337 -183894.9893 -149289.5456 298.6995 -117.7671 -84.9449 557833.8045 12.1967 12.0682 PRESSURE: 2083800 -269.412 55.517 138.734 55.5175 -6.65604 64.4557 138.734 64.4538 -79.5098 GPRESSURE: 2083800 -246.317 204.958 118.203 -22.0836 42.4181 156.08 126.604 46.5453 -37.457 PRESSAVG: 2083800 -47.0177 48.8582 52.8619 48.8581 63.8054 2.15516 52.8619 2.15516 -44.6831 GPRESSAVG: 2083800 -47.5237 48.3067 52.977 49.1413 63.5213 2.44476 54.817 2.78227 -43.5613 TIMING: 2083800 CPU: 6040.9, 0.00284273/step Wall: 6040.9, 0.00284273/step, 2.30277 hours remaining, 209.636719 MB of memory in use. ENERGY: 2083800 785.2066 2091.8821 1940.9562 108.4390 -206370.0964 17762.1639 0.0000 0.0000 34328.3880 -149353.0606 299.7984 -183681.4487 -149259.4902 299.0042 -118.5258 -80.4520 556349.1777 -9.2985 -9.1879 PRESSURE: 2084000 -262.526 38.1454 -154.588 38.1467 -195.702 112.16 -154.587 112.159 -242.639 GPRESSURE: 2084000 -232.431 17.9319 -148.008 6.55091 -150.136 123.578 -125.649 135.114 -217.03 PRESSAVG: 2084000 -55.2533 44.9772 43.551 44.9771 -11.31 30.8713 43.5511 30.8714 84.8719 GPRESSAVG: 2084000 -54.4154 43.686 40.8418 44.7076 -10.8858 30.8879 44.0489 30.9752 83.6324 TIMING: 2084000 CPU: 6041.47, 0.0028655/step Wall: 6041.47, 0.0028655/step, 2.32105 hours remaining, 209.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2084000 768.3342 2037.0731 1949.8522 116.7272 -206093.0180 17568.6515 0.0000 0.0000 34269.1771 -149383.2028 299.2812 -183652.3799 -149285.8937 299.0698 -233.6224 -199.8656 557782.9034 6.1028 6.1104 PRESSURE: 2084200 -80.2804 55.8302 19.7841 55.8305 140.262 -18.3904 19.7852 -18.393 -55.4715 GPRESSURE: 2084200 -42.698 190.081 6.34961 -2.52219 165.124 31.1355 52.2678 29.2232 -28.384 PRESSAVG: 2084200 -65.3583 20.6595 -4.58567 20.6596 55.3835 6.09428 -4.58569 6.0944 -40.8013 GPRESSAVG: 2084200 -64.8228 21.5549 -2.8666 20.4749 55.3075 6.6581 -6.30144 6.3806 -41.8518 TIMING: 2084200 CPU: 6042.05, 0.00288112/step Wall: 6042.05, 0.00288112/step, 2.33355 hours remaining, 209.636719 MB of memory in use. ENERGY: 2084200 739.6215 2036.7987 1940.7647 114.5902 -206206.5590 17660.3161 0.0000 0.0000 34262.2492 -149452.2185 299.2207 -183714.4677 -149359.9326 298.5273 1.5035 31.3472 556222.4666 -16.9254 -17.1224 LDB: ============= START OF LOAD BALANCING ============== 6045.43 LDB: ============== END OF LOAD BALANCING =============== 6045.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6045.43 LDB: ============= START OF LOAD BALANCING ============== 6045.72 LDB: Largest compute 4820 load 0.022073 is 18.7% of average load 0.117949 LDB: Average compute 0.001752 is 1.5% of average load 0.117949 LDB: TIME 6045.73 LOAD: AVG 0.117949 MAX 0.180474 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 6045.73 LOAD: AVG 0.117949 MAX 0.180474 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: TIME 6045.73 LOAD: AVG 0.117949 MAX 0.180474 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6045.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6045.73 PRESSURE: 2084400 509.683 30.2937 176.393 30.2939 216.783 110.896 176.393 110.897 90.3722 GPRESSURE: 2084400 501.134 -58.9236 98.8439 30.729 287.233 150.937 157.7 139.535 127.695 PRESSAVG: 2084400 37.9166 13.0709 28.8837 13.071 23.2309 32.6337 28.8837 32.6337 -17.2603 GPRESSAVG: 2084400 37.1351 11.7486 28.4081 13.7813 22.4696 30.9416 30.5567 32.9923 -15.5223 TIMING: 2084400 CPU: 6042.64, 0.00294916/step Wall: 6042.64, 0.00294916/step, 2.38849 hours remaining, 209.574219 MB of memory in use. ENERGY: 2084400 686.3487 2127.5132 1957.5067 108.8585 -207055.4134 18308.7247 0.0000 0.0000 34363.0689 -149503.3928 300.1012 -183866.4617 -149407.6939 299.4512 272.2792 305.3540 554591.8872 14.6291 14.6942 PRESSURE: 2084600 -123.072 -11.4818 14.0994 -11.4826 144.95 -209.296 14.1001 -209.298 29.6264 GPRESSURE: 2084600 -11.9879 0.203415 5.85189 1.24531 191.241 -171.071 84.1126 -228.346 -24.3191 PRESSAVG: 2084600 2.03062 -25.8566 62.7674 -25.8567 26.796 -35.7034 62.7673 -35.7035 -12.7612 GPRESSAVG: 2084600 3.09127 -26.2335 66.0561 -25.9428 26.1971 -36.5908 60.5081 -35.5268 -13.0775 TIMING: 2084600 CPU: 6043.22, 0.00289897/step Wall: 6043.22, 0.00289897/step, 2.34768 hours remaining, 209.574219 MB of memory in use. ENERGY: 2084600 723.4886 2025.8317 1959.0274 101.4217 -206313.3810 17970.7184 0.0000 0.0000 33926.6133 -149606.2798 296.2896 -183532.8932 -149510.9065 299.0587 17.1680 51.6447 557752.4674 5.3551 5.4036 PRESSURE: 2084800 23.2156 74.7092 170.225 74.7078 -114.795 -34.5188 170.225 -34.519 149.456 GPRESSURE: 2084800 96.309 85.4731 160.159 169.335 -127.412 -64.5005 168.265 -121.593 183.241 PRESSAVG: 2084800 33.8696 73.1714 17.8671 73.1714 39.5072 -40.922 17.867 -40.9218 -56.3977 GPRESSAVG: 2084800 33.5964 74.7846 16.2235 72.5246 40.5084 -37.8667 18.4165 -42.358 -56.9525 TIMING: 2084800 CPU: 6043.79, 0.00289076/step Wall: 6043.79, 0.00289076/step, 2.34087 hours remaining, 209.703125 MB of memory in use. ENERGY: 2084800 777.4272 2061.8368 1950.5291 117.8501 -206753.7439 18071.4443 0.0000 0.0000 34123.1594 -149651.4968 298.0060 -183774.6563 -149555.1806 298.1424 19.2920 50.7127 556841.8955 5.6597 5.7174 PRESSURE: 2085000 -242.361 -106.004 -90.949 -106.005 -7.47296 -95.7939 -90.9503 -95.7957 -76.0082 GPRESSURE: 2085000 -237.12 -76.8138 -13.982 -124.375 -2.59904 -109.621 -165.517 30.7777 20.2379 PRESSAVG: 2085000 -9.79781 30.5536 -42.7112 30.5537 32.7223 -17.2905 -42.7113 -17.2906 -35.878 GPRESSAVG: 2085000 -10.1131 29.5426 -40.3076 29.9791 32.12 -19.7474 -44.0479 -15.1514 -34.6295 TIMING: 2085000 CPU: 6044.38, 0.00291068/step Wall: 6044.38, 0.00291068/step, 2.35684 hours remaining, 209.703125 MB of memory in use. ENERGY: 2085000 749.0188 1986.9752 1953.2998 107.7271 -206313.3543 17700.2961 0.0000 0.0000 34103.4695 -149712.5678 297.8341 -183816.0373 -149615.1266 298.0810 -108.6141 -73.1605 557346.7792 -4.3179 -4.2075 PRESSURE: 2085200 185.001 143.602 93.6355 143.602 -36.861 -25.2919 93.634 -25.2915 107.56 GPRESSURE: 2085200 169.836 128.745 126.078 63.4552 -17.3037 5.58306 133.624 -46.1912 200.347 PRESSAVG: 2085200 -26.741 37.6634 5.4221 37.6634 15.8956 -26.5743 5.42208 -26.5745 3.66431 GPRESSAVG: 2085200 -27.1147 37.1724 3.57602 38.0335 16.1322 -25.9095 5.74357 -29.0784 3.59429 TIMING: 2085200 CPU: 6044.95, 0.00289217/step Wall: 6044.95, 0.00289217/step, 2.34169 hours remaining, 209.703125 MB of memory in use. ENERGY: 2085200 723.0067 2149.4211 1927.1807 106.4608 -206604.4462 18023.7501 0.0000 0.0000 34203.3960 -149471.2309 298.7068 -183674.6269 -149380.0662 298.3623 85.2333 117.6266 556097.9542 -2.3937 -2.4628 PRESSURE: 2085400 98.845 161.84 50.6592 161.838 114.786 -195.731 50.6606 -195.732 -70.5443 GPRESSURE: 2085400 126.165 154.105 93.2554 174.061 166.335 -112.092 49.7278 -279.926 -61.5722 PRESSAVG: 2085400 27.644 35.4411 32.1408 35.4411 -9.60704 31.1273 32.1408 31.1273 -23.6443 GPRESSAVG: 2085400 28.7982 36.5439 29.9242 35.9499 -9.60824 31.6368 34.1926 31.8212 -24.5601 TIMING: 2085400 CPU: 6045.53, 0.00289675/step Wall: 6045.53, 0.00289675/step, 2.34524 hours remaining, 209.703125 MB of memory in use. ENERGY: 2085400 705.4579 2102.4191 1953.1048 106.6952 -206424.5805 17759.2369 0.0000 0.0000 34233.3941 -149564.2725 298.9687 -183797.6665 -149469.6841 298.8489 47.6954 76.9759 556885.5226 -1.8691 -1.7901 PRESSURE: 2085600 5.105 -71.6436 81.116 -71.644 10.3782 -30.8955 81.1155 -30.8949 219.975 GPRESSURE: 2085600 46.2351 -24.5979 55.0099 -95.1085 34.3543 -40.5379 88.8518 -25.8573 250.48 PRESSAVG: 2085600 -46.4118 -25.6373 -20.457 -25.6374 56.514 -11.2803 -20.4569 -11.2803 -34.1636 GPRESSAVG: 2085600 -47.9016 -25.9808 -18.5908 -25.0055 56.976 -13.331 -21.7656 -10.4782 -33.3187 TIMING: 2085600 CPU: 6046.11, 0.00289876/step Wall: 6046.11, 0.00289876/step, 2.34671 hours remaining, 209.703125 MB of memory in use. ENERGY: 2085600 705.9220 2119.2273 1951.1020 110.2151 -206338.8757 17646.5736 0.0000 0.0000 34384.1199 -149421.7158 300.2851 -183805.8357 -149318.0516 298.8567 78.4862 110.3565 554875.1433 -8.0204 -8.0814 PRESSURE: 2085800 -254.086 -272.367 101.671 -272.367 91.9853 102.538 101.672 102.538 165.542 GPRESSURE: 2085800 -156.055 -245.263 93.6661 -271.869 71.7687 74.7738 170.987 161.861 180.967 PRESSAVG: 2085800 -25.1145 7.87776 -44.3663 7.87766 8.67996 -26.7578 -44.3663 -26.7578 9.03021 GPRESSAVG: 2085800 -24.9714 8.61681 -45.3738 6.63736 8.73419 -26.3161 -43.9089 -26.8473 9.38282 TIMING: 2085800 CPU: 6046.69, 0.00288129/step Wall: 6046.69, 0.00288129/step, 2.3324 hours remaining, 209.703125 MB of memory in use. ENERGY: 2085800 758.9426 2154.5479 1933.3228 106.3830 -206179.3663 17837.8729 0.0000 0.0000 33962.3372 -149425.9599 296.6015 -183388.2971 -149331.3115 299.0455 1.1473 32.2267 556067.0519 -2.4681 -2.2848 PRESSURE: 2086000 -73.2016 -24.3629 217.963 -24.3636 -231.07 6.84566 217.962 6.84545 -289.048 GPRESSURE: 2086000 -20.1359 -26.7537 160.667 -52.4606 -241.032 16.0386 184.385 -33.9387 -241.276 PRESSAVG: 2086000 53.0986 -9.69396 36.0731 -9.694 -90.4274 -21.9209 36.0732 -21.9208 -11.2791 GPRESSAVG: 2086000 54.8169 -10.9812 34.6342 -7.91164 -91.4756 -20.6763 37.2478 -23.6821 -12.7273 TIMING: 2086000 CPU: 6047.27, 0.00288421/step Wall: 6047.27, 0.00288421/step, 2.33461 hours remaining, 209.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2086000 759.9152 2059.3736 1958.0192 106.3404 -206272.1138 17659.0757 0.0000 0.0000 34131.9813 -149597.4084 298.0831 -183729.3896 -149503.1164 298.6111 -197.7732 -167.4814 557300.9672 -16.2026 -16.4620 PRESSURE: 2086200 101.893 30.9575 62.7153 30.9585 -91.2082 76.4844 62.7144 76.4859 36.834 GPRESSURE: 2086200 120.596 94.3608 28.9982 -11.7028 -43.0485 66.1859 -21.0403 99.7822 73.4179 PRESSAVG: 2086200 -1.79095 -32.6026 43.639 -32.6026 -31.0107 11.2578 43.6391 11.2578 -1.73684 GPRESSAVG: 2086200 -1.8999 -30.4936 44.6891 -35.1281 -31.1259 10.0644 43.4986 12.137 -1.17935 TIMING: 2086200 CPU: 6047.85, 0.00290581/step Wall: 6047.85, 0.00290581/step, 2.35193 hours remaining, 209.703125 MB of memory in use. ENERGY: 2086200 753.6759 2094.2435 1955.0876 112.4669 -206430.4767 17851.9288 0.0000 0.0000 34109.2061 -149553.8680 297.8842 -183663.0741 -149462.2160 298.7382 15.8398 50.3219 557505.2440 -11.5128 -11.4017 PRESSURE: 2086400 -188.655 -35.6663 36.2938 -35.6657 -214.34 71.1661 36.2922 71.1657 -86.7844 GPRESSURE: 2086400 -162.524 -13.8267 16.5162 12.1445 -162.966 100.15 58.0452 36.7061 -65.4867 PRESSAVG: 2086400 19.1467 -25.6476 5.27844 -25.6476 -39.6497 -16.8188 5.2784 -16.8187 8.49916 GPRESSAVG: 2086400 17.3835 -27.8784 5.71178 -24.2021 -38.6274 -15.2491 4.15152 -15.5909 8.98238 TIMING: 2086400 CPU: 6048.43, 0.00290615/step Wall: 6048.43, 0.00290615/step, 2.35204 hours remaining, 209.703125 MB of memory in use. ENERGY: 2086400 745.3811 2061.2210 1946.5890 111.1598 -206056.9763 17618.1422 0.0000 0.0000 34030.3845 -149544.0987 297.1958 -183574.4832 -149447.9955 298.2179 -163.2598 -130.3255 557621.3993 -4.0013 -4.0872 PRESSURE: 2086600 -348.11 96.538 -18.289 96.5377 144.508 104.659 -18.2892 104.66 -35.7 GPRESSURE: 2086600 -318.198 151.123 -15.0119 91.5258 125.13 64.8258 -27.6826 108.468 55.2638 PRESSAVG: 2086600 -56.6636 29.3458 -22.3647 29.3458 33.0269 -23.796 -22.3647 -23.7958 31.944 GPRESSAVG: 2086600 -55.6536 32.1153 -20.8101 27.0406 31.5935 -24.7151 -22.2856 -25.3892 32.0396 TIMING: 2086600 CPU: 6049, 0.00287287/step Wall: 6049, 0.00287287/step, 2.32495 hours remaining, 209.703125 MB of memory in use. ENERGY: 2086600 739.5852 2105.0576 1915.8034 113.5985 -206532.7333 17817.9458 0.0000 0.0000 34288.9182 -149551.8247 299.4537 -183840.7429 -149463.9962 298.2945 -79.7673 -45.9347 557517.6705 2.7691 2.6598 PRESSURE: 2086800 -128.802 89.0835 101.865 89.0837 -122.136 -34.7799 101.866 -34.7804 165.55 GPRESSURE: 2086800 -126.817 67.4297 182.275 59.8008 -20.3987 -0.962071 40.5343 -46.9629 142.242 PRESSAVG: 2086800 -30.5661 35.1534 -16.1198 35.1535 62.6206 -24.9653 -16.1199 -24.9654 -31.341 GPRESSAVG: 2086800 -31.1318 32.8386 -19.9421 37.03 62.5141 -26.7391 -14.6127 -22.0799 -31.4308 TIMING: 2086800 CPU: 6049.58, 0.00287343/step Wall: 6049.58, 0.00287343/step, 2.32524 hours remaining, 209.703125 MB of memory in use. ENERGY: 2086800 740.6387 2092.2705 1970.6132 108.7887 -206188.1337 17775.8929 0.0000 0.0000 33863.5149 -149636.4147 295.7385 -183499.9296 -149540.2422 298.0248 -28.4627 -1.6578 557785.0811 0.2378 -0.0162 PRESSURE: 2087000 -75.0284 100.028 -62.3043 100.028 -186.539 -38.3372 -62.3052 -38.3337 -112.322 GPRESSURE: 2087000 -133.997 120.115 -69.314 110.372 -76.5324 -54.8163 -73.8046 1.79933 -65.3903 PRESSAVG: 2087000 0.362234 49.9606 23.075 49.9606 7.19338 55.9933 23.0749 55.9933 27.3748 GPRESSAVG: 2087000 -1.52778 51.1368 26.0867 48.5939 7.1422 58.1347 21.6809 54.2004 28.9037 TIMING: 2087000 CPU: 6050.16, 0.00290243/step Wall: 6050.16, 0.00290243/step, 2.34855 hours remaining, 209.703125 MB of memory in use. ENERGY: 2087000 731.5008 2057.4157 1945.1101 116.1241 -206321.6108 17720.9924 0.0000 0.0000 34153.0311 -149597.4367 298.2669 -183750.4678 -149502.6425 297.5131 -124.6298 -91.9733 558695.6201 11.6435 11.5060 PRESSURE: 2087200 -305.591 84.4188 -74.1289 84.4189 265.486 -83.2748 -74.1284 -83.2731 -119.102 GPRESSURE: 2087200 -224.312 20.6909 -47.5779 57.7961 250.483 -197.471 -26.9472 -59.2022 -93.6854 PRESSAVG: 2087200 -35.1625 70.1767 -54.0208 70.1767 31.5261 39.9515 -54.0208 39.9514 14.2536 GPRESSAVG: 2087200 -33.1523 68.8774 -56.639 71.1164 30.9152 39.3342 -51.8544 39.3106 12.6943 TIMING: 2087200 CPU: 6050.73, 0.00287786/step Wall: 6050.73, 0.00287786/step, 2.32851 hours remaining, 209.703125 MB of memory in use. ENERGY: 2087200 770.4293 2128.8916 1968.5858 110.9466 -206444.3327 17768.4026 0.0000 0.0000 34242.8851 -149454.1917 299.0516 -183697.0768 -149364.5775 298.4982 -53.0693 -22.5046 556588.2891 3.5391 3.4857 PRESSURE: 2087400 -240.25 -98.6329 -109.526 -98.633 -23.2492 22.9922 -109.528 22.9924 -50.4812 GPRESSURE: 2087400 -197.894 -168.856 -141.725 -50.3713 -44.0669 37.7098 -21.303 9.65292 34.8998 PRESSAVG: 2087400 -13.3149 48.9568 -0.095036 48.9568 6.97306 -16.7016 -0.0950787 -16.7016 43.7275 GPRESSAVG: 2087400 -13.0815 50.1583 -0.179967 47.0673 6.23779 -15.6981 0.501091 -17.1132 44.2076 TIMING: 2087400 CPU: 6051.31, 0.00287806/step Wall: 6051.31, 0.00287806/step, 2.32851 hours remaining, 209.703125 MB of memory in use. ENERGY: 2087400 746.9461 2154.0685 1958.6417 125.2616 -206383.0954 17706.7820 0.0000 0.0000 34036.1723 -149655.2231 297.2464 -183691.3954 -149563.5930 298.4224 -104.6602 -69.0202 556678.4756 12.4619 12.4546 PRESSURE: 2087600 -205.791 -182.873 75.1632 -182.873 -125.405 -76.224 75.1628 -76.2226 -407.955 GPRESSURE: 2087600 -165.291 -172.064 -64.0521 -165.287 -91.8717 -118.264 -38.8822 -134.344 -370.434 PRESSAVG: 2087600 29.6299 -28.4831 -14.4442 -28.483 -7.44737 -39.5415 -14.4443 -39.5416 -44.3481 GPRESSAVG: 2087600 30.0566 -27.9633 -12.1625 -27.11 -7.12609 -38.7992 -18.0443 -38.0797 -45.1723 TIMING: 2087600 CPU: 6051.89, 0.0028959/step Wall: 6051.89, 0.0028959/step, 2.34278 hours remaining, 209.703125 MB of memory in use. ENERGY: 2087600 734.7820 2049.2982 1938.2051 110.3652 -206170.9008 17622.2912 0.0000 0.0000 34266.9685 -149448.9907 299.2620 -183715.9592 -149351.3003 298.5325 -246.3835 -209.1991 558430.1711 -7.3885 -7.4139 PRESSURE: 2087800 -30.8472 12.8854 -69.4077 12.8852 -158.752 161.834 -69.4081 161.834 -200.45 GPRESSURE: 2087800 10.5553 4.71997 -95.7694 24.8785 -188.445 116.292 -35.0964 167.148 -116.451 PRESSAVG: 2087800 -24.4123 0.294761 10.1403 0.294834 48.5357 -11.5763 10.1403 -11.5763 -15.9971 GPRESSAVG: 2087800 -25.6942 0.643611 10.1117 0.0755018 48.1923 -13.2318 11.2114 -11.2804 -13.8637 TIMING: 2087800 CPU: 6052.47, 0.0028952/step Wall: 6052.47, 0.0028952/step, 2.34206 hours remaining, 209.703125 MB of memory in use. ENERGY: 2087800 792.4360 2085.4348 1979.6008 116.5194 -206221.6618 17667.3752 0.0000 0.0000 34095.0826 -149485.2130 297.7608 -183580.2956 -149394.8296 298.7560 -130.0164 -98.1136 557718.5149 2.7088 2.8782 PRESSURE: 2088000 -5.52632 -10.7397 8.46942 -10.7406 -168.646 273.612 8.4682 273.611 168.861 GPRESSURE: 2088000 -12.2979 -9.1146 -38.2587 67.722 -140.207 324.788 56.8784 210.913 241.394 PRESSAVG: 2088000 -55.2665 -4.48427 20.8355 -4.48428 11.318 15.7598 20.8354 15.7597 48.1082 GPRESSAVG: 2088000 -55.8244 -6.30365 18.6025 -6.02685 12.3456 16.4083 21.7876 14.9383 47.1751 TIMING: 2088000 CPU: 6053.04, 0.00288036/step Wall: 6053.04, 0.00288036/step, 2.32989 hours remaining, 209.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2088000 715.5894 2070.2191 1944.7056 116.5589 -206538.4904 17857.4201 0.0000 0.0000 34308.7792 -149525.2180 299.6271 -183833.9972 -149432.4939 298.6200 -1.7704 29.6296 556998.7401 1.3866 1.2321 PRESSURE: 2088200 89.2245 -138.395 16.2524 -138.397 28.2541 110.58 16.2523 110.58 -29.489 GPRESSURE: 2088200 106.415 -139.867 68.8401 -163.892 76.7474 31.7682 -25.6408 121.519 -3.03541 PRESSAVG: 2088200 26.0527 -35.2996 7.8936 -35.2996 27.5155 -8.60414 7.89358 -8.60421 -40.4301 GPRESSAVG: 2088200 27.5432 -36.4485 7.75973 -32.88 27.0535 -8.70941 7.90127 -7.59547 -41.394 TIMING: 2088200 CPU: 6053.62, 0.00288229/step Wall: 6053.62, 0.00288229/step, 2.33129 hours remaining, 209.703125 MB of memory in use. ENERGY: 2088200 764.2171 2093.9021 1937.7010 124.9134 -206765.0504 17894.5926 0.0000 0.0000 34342.3476 -149607.3766 299.9203 -183949.7242 -149515.5833 298.2820 29.3299 60.0424 556062.6507 4.3793 4.4009 LDB: ============= START OF LOAD BALANCING ============== 6057.01 LDB: ============== END OF LOAD BALANCING =============== 6057.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6057.01 LDB: ============= START OF LOAD BALANCING ============== 6057.3 LDB: Largest compute 4800 load 0.021468 is 18.2% of average load 0.117872 LDB: Average compute 0.001744 is 1.5% of average load 0.117872 LDB: TIME 6057.3 LOAD: AVG 0.117872 MAX 0.179527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.438 MB LDB: TIME 6057.3 LOAD: AVG 0.117872 MAX 0.179527 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.641 MB LDB: TIME 6057.3 LOAD: AVG 0.117872 MAX 0.179527 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.641 MB LDB: ============== END OF LOAD BALANCING =============== 6057.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6057.31 PRESSURE: 2088400 -237.586 -219.114 123.212 -219.114 -50.9955 -156.656 123.213 -156.656 -125.596 GPRESSURE: 2088400 -221.453 -135.554 137.663 -220.7 -26.2577 -194.876 39.13 -75.8329 -63.1336 PRESSAVG: 2088400 30.0614 -97.5942 -17.7751 -97.5943 -13.1591 -38.788 -17.7752 -38.788 -50.0518 GPRESSAVG: 2088400 30.8772 -94.9384 -14.5204 -97.8476 -14.6546 -39.7358 -18.4559 -39.0785 -49.5433 TIMING: 2088400 CPU: 6054.21, 0.00295248/step Wall: 6054.21, 0.00295248/step, 2.3879 hours remaining, 207.078125 MB of memory in use. ENERGY: 2088400 773.3920 2108.2126 1966.1957 122.8339 -206577.5870 17942.9477 0.0000 0.0000 34262.1863 -149401.8188 299.2202 -183664.0051 -149314.6586 298.3983 -138.0592 -103.6148 557659.0416 -11.0498 -11.1069 PRESSURE: 2088600 78.3777 -133.065 74.856 -133.065 -197.885 -0.115052 74.8569 -0.115619 22.5118 GPRESSURE: 2088600 109.713 -144.331 28.8286 -84.6747 -155.471 -19.1726 59.9905 -29.4428 40.5815 PRESSAVG: 2088600 26.8506 -38.1307 18.9921 -38.1307 -0.550623 -45.3358 18.992 -45.3358 18.4298 GPRESSAVG: 2088600 26.4888 -39.5374 17.4556 -39.281 1.18782 -44.4545 20.195 -44.3785 16.7839 TIMING: 2088600 CPU: 6054.79, 0.00288685/step Wall: 6054.79, 0.00288685/step, 2.33466 hours remaining, 207.078125 MB of memory in use. ENERGY: 2088600 732.4421 2057.8339 1924.6328 99.6320 -206330.0594 17752.3207 0.0000 0.0000 34244.5909 -149518.6072 299.0665 -183763.1981 -149422.1002 298.6987 -32.3318 -1.7256 557049.9111 14.9099 14.8202 PRESSURE: 2088800 259.16 7.004 17.0989 7.00538 78.8975 -161.15 17.1 -161.15 8.03795 GPRESSURE: 2088800 273.94 47.6642 -41.6675 2.02881 116.704 -189.891 80.5141 -85.6874 47.6719 PRESSAVG: 2088800 40.3679 0.643539 21.4558 0.643513 14.9209 -16.1088 21.4558 -16.1088 9.731 GPRESSAVG: 2088800 40.4519 0.539091 21.2278 1.61219 14.0032 -15.1186 20.2798 -17.977 10.5347 TIMING: 2088800 CPU: 6055.36, 0.00286478/step Wall: 6055.36, 0.00286478/step, 2.31666 hours remaining, 207.078125 MB of memory in use. ENERGY: 2088800 724.9283 2087.1298 1931.5232 118.1616 -206410.0418 18006.1199 0.0000 0.0000 34148.9564 -149393.2226 298.2313 -183542.1790 -149289.4736 298.5519 115.3653 146.1052 558258.9874 21.6733 21.6633 PRESSURE: 2089000 231.79 -12.9933 -5.30413 -12.9935 258.319 -73.3584 -5.3032 -73.3595 304.824 GPRESSURE: 2089000 244.762 -42.0831 3.98465 24.0467 325.264 -58.5288 -84.3591 -32.3581 317.753 PRESSAVG: 2089000 27.6658 8.86928 13.5134 8.86923 27.0026 -32.9463 13.5134 -32.9463 -29.5649 GPRESSAVG: 2089000 26.3292 10.6048 14.8379 7.40316 27.9105 -33.7724 13.3538 -34.2491 -28.5832 TIMING: 2089000 CPU: 6055.94, 0.00286777/step Wall: 6055.94, 0.00286777/step, 2.31891 hours remaining, 207.078125 MB of memory in use. ENERGY: 2089000 750.6736 2097.9395 1919.1427 123.7756 -206806.1512 18291.8273 0.0000 0.0000 34366.8332 -149255.9593 300.1341 -183622.7925 -149147.6072 298.4050 264.9777 295.9263 557625.6702 8.3679 8.5522 PRESSURE: 2089200 -116.783 -61.8194 -73.198 -61.8194 157.692 49.9981 -73.1981 49.9987 -131.027 GPRESSURE: 2089200 -66.9773 42.1001 -104.813 -16.6692 174.948 94.4479 -58.7494 122.848 -105.802 PRESSAVG: 2089200 -47.0852 -0.430686 -5.7085 -0.430681 78.4722 33.7804 -5.7084 33.7804 -10.624 GPRESSAVG: 2089200 -46.3658 -1.21598 -5.94752 0.747906 78.4202 34.8544 -5.8151 35.4723 -10.7785 TIMING: 2089200 CPU: 6056.51, 0.00287397/step Wall: 6056.51, 0.00287397/step, 2.32376 hours remaining, 207.078125 MB of memory in use. ENERGY: 2089200 739.9904 2114.8978 1970.7050 122.5106 -206417.5030 17891.3847 0.0000 0.0000 34347.9788 -149230.0356 299.9694 -183578.0144 -149144.0539 298.7570 -30.0392 0.7227 557999.9500 6.9210 7.0919 PRESSURE: 2089400 -166.542 -143.925 112.189 -143.925 -178.388 171.137 112.191 171.135 -55.9854 GPRESSURE: 2089400 -108.621 -100.104 131.439 -119.966 -177.628 81.3789 80.8271 183.397 -30.0231 PRESSAVG: 2089400 23.9914 -42.0402 21.6226 -42.0401 -23.0692 12.4381 21.6227 12.4381 36.2682 GPRESSAVG: 2089400 24.4389 -42.5446 20.8747 -42.6206 -24.3389 11.0116 22.1104 12.2018 37.1007 TIMING: 2089400 CPU: 6057.09, 0.00287584/step Wall: 6057.09, 0.00287584/step, 2.32512 hours remaining, 207.078125 MB of memory in use. ENERGY: 2089400 731.5102 2106.1136 1941.9172 107.8957 -205976.5931 17641.5787 0.0000 0.0000 34312.9410 -149134.6367 299.6634 -183447.5777 -149036.4609 299.9034 -133.6386 -105.4241 557475.1531 12.3968 12.4002 PRESSURE: 2089600 -45.4709 -16.9178 -190.191 -16.9151 -39.1793 -35.9891 -190.191 -35.9879 44.917 GPRESSURE: 2089600 -19.9616 -2.25357 -165.226 -11.5742 -13.9513 -70.5184 -244.515 -22.1817 94.7954 PRESSAVG: 2089600 -23.1046 -41.5404 18.6187 -41.5404 12.1991 -20.1949 18.6187 -20.1949 59.2786 GPRESSAVG: 2089600 -24.2512 -40.2995 16.8561 -43.3389 12.9437 -19.4301 18.7913 -20.2447 59.3504 TIMING: 2089600 CPU: 6057.66, 0.0028797/step Wall: 6057.66, 0.0028797/step, 2.32807 hours remaining, 207.078125 MB of memory in use. ENERGY: 2089600 710.7847 2089.9354 1929.0834 111.8784 -205673.4156 17712.9620 0.0000 0.0000 34054.0892 -149064.6826 297.4028 -183118.7718 -148960.6763 298.8950 -13.2444 20.2942 557399.4321 16.1244 16.0143 PRESSURE: 2089800 -219.422 178.814 0.967103 178.815 -120.878 46.8324 0.966833 46.8293 -132.727 GPRESSURE: 2089800 -161.394 122.445 -54.2291 204.75 -158.458 19.7599 34.0682 103.159 -43.9618 PRESSAVG: 2089800 18.6035 -19.7221 5.19074 -19.7221 -31.6792 25.8544 5.19073 25.8542 3.82644 GPRESSAVG: 2089800 19.253 -21.1322 5.27664 -17.0312 -34.6155 26.9811 3.99875 26.0868 5.73034 TIMING: 2089800 CPU: 6058.24, 0.00286981/step Wall: 6058.24, 0.00286981/step, 2.31993 hours remaining, 207.078125 MB of memory in use. ENERGY: 2089800 734.4106 2067.6805 1924.2597 95.0612 -206091.4864 17617.3273 0.0000 0.0000 34484.0409 -149168.7062 301.1577 -183652.7470 -149073.1620 299.1599 -157.6755 -121.2712 557990.4861 -3.0831 -3.2107 PRESSURE: 2090000 -70.5809 -41.5621 45.6463 -41.5637 -10.2122 13.5051 45.6463 13.507 -591.626 GPRESSURE: 2090000 -76.0003 83.8532 -7.89945 -88.6086 44.7894 -0.031716 -6.59429 26.0595 -551.253 PRESSAVG: 2090000 3.53593 29.2127 47.931 29.2127 -1.81374 -0.419796 47.9309 -0.419818 -17.7459 GPRESSAVG: 2090000 3.11956 28.1367 48.612 28.6384 1.15317 0.777717 48.5693 -3.65505 -20.6886 TIMING: 2090000 CPU: 6058.81, 0.00287608/step Wall: 6058.81, 0.00287608/step, 2.32483 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2090000 735.4652 2123.3305 1927.9306 109.6011 -206007.2809 17454.9944 0.0000 0.0000 34357.3076 -149298.6514 300.0509 -183655.9590 -149199.8117 299.4902 -224.1397 -194.1547 558906.9712 -5.3412 -5.4719 PRESSURE: 2090200 -329.331 -97.9416 143.402 -97.9413 -210.015 -153.992 143.401 -153.994 -197.519 GPRESSURE: 2090200 -252.204 -152.975 184.437 -66.7539 -188.153 -152.801 133.338 -90.6619 -200.904 PRESSAVG: 2090200 -39.3276 32.2664 26.7305 32.2665 38.8715 -42.3536 26.7305 -42.3536 -25.7811 GPRESSAVG: 2090200 -39.5696 33.349 27.3661 32.4994 38.1267 -45.06 26.9161 -39.2687 -24.8802 TIMING: 2090200 CPU: 6059.38, 0.00287005/step Wall: 6059.38, 0.00287005/step, 2.3198 hours remaining, 207.078125 MB of memory in use. ENERGY: 2090200 740.4382 2072.4830 1975.9176 119.0885 -205853.1885 17467.6258 0.0000 0.0000 34128.9932 -149348.6422 298.0570 -183477.6354 -149243.0547 298.7784 -245.6217 -213.7541 559305.4355 -8.7457 -8.7744 PRESSURE: 2090400 -62.1118 -110.471 -63.2454 -110.471 -162.572 -43.9458 -63.2444 -43.945 -318.941 GPRESSURE: 2090400 -72.9388 -79.3215 -24.0755 -107.457 -140.157 -51.1191 -104.889 -6.28401 -232.089 PRESSAVG: 2090400 -48.3256 -23.6504 21.5467 -23.6504 -37.4181 7.49145 21.5467 7.49146 66.1478 GPRESSAVG: 2090400 -48.7625 -24.3375 20.4135 -23.7576 -37.8792 7.90035 20.994 7.33097 67.1778 TIMING: 2090400 CPU: 6059.96, 0.00286924/step Wall: 6059.96, 0.00286924/step, 2.31898 hours remaining, 207.078125 MB of memory in use. ENERGY: 2090400 797.7307 2046.2071 1952.7760 102.5195 -206166.0298 17738.7471 0.0000 0.0000 34360.6900 -149167.3594 300.0805 -183528.0494 -149068.4872 299.5594 -181.2082 -148.3950 558935.4136 -6.5320 -6.4880 PRESSURE: 2090600 89.5882 -113.566 30.908 -113.566 -105.025 38.6017 30.9083 38.6018 -51.8075 GPRESSURE: 2090600 113.64 -43.2249 24.1706 -160.288 -56.6018 -3.94464 80.863 116.67 -32.9962 PRESSAVG: 2090600 6.89425 10.4809 -109.706 10.4809 -21.8799 5.12062 -109.706 5.12062 14.8875 GPRESSAVG: 2090600 7.70519 11.6241 -108.303 10.9968 -21.5004 4.62563 -108.317 5.11171 14.1755 TIMING: 2090600 CPU: 6060.53, 0.00288311/step Wall: 6060.53, 0.00288311/step, 2.33003 hours remaining, 207.078125 MB of memory in use. ENERGY: 2090600 721.6721 2126.4832 1954.4096 107.3539 -205986.5488 17619.1681 0.0000 0.0000 34159.2141 -149298.2478 298.3209 -183457.4618 -149199.0165 299.5746 -22.4146 8.0139 557048.5910 -0.0327 0.1267 PRESSURE: 2090800 -12.8857 -219.827 -120.044 -219.827 -51.206 2.89402 -120.045 2.8941 -72.7105 GPRESSURE: 2090800 58.5044 -120.337 -81.3269 -238.027 -72.068 6.11252 -94.5421 48.5661 -24.5175 PRESSAVG: 2090800 1.55395 22.7161 -10.1936 22.7163 -30.362 50.7458 -10.1938 50.7457 10.3433 GPRESSAVG: 2090800 0.713019 21.6221 -9.92883 24.0766 -30.4851 51.3682 -11.718 51.4956 11.287 TIMING: 2090800 CPU: 6061.11, 0.00289845/step Wall: 6061.11, 0.00289845/step, 2.34227 hours remaining, 207.078125 MB of memory in use. ENERGY: 2090800 754.9760 2083.1875 1959.5036 110.8412 -206314.5954 17883.7915 0.0000 0.0000 34242.2111 -149280.0846 299.0457 -183522.2957 -149190.2051 298.6316 -45.6008 -12.6937 557614.2939 -6.1549 -6.1617 PRESSURE: 2091000 -135.854 26.0634 -184.864 26.0625 137.932 -58.811 -184.865 -58.8097 -100.59 GPRESSURE: 2091000 -52.1215 -41.4182 -111.257 38.8388 100.508 -5.84311 -188.491 9.83971 -54.2927 PRESSAVG: 2091000 -21.4422 -29.7369 -3.90848 -29.7369 33.9731 65.6091 -3.90859 65.6092 15.9471 GPRESSAVG: 2091000 -20.4509 -28.1989 -5.60056 -31.6436 32.9616 65.9812 -1.33051 65.8372 16.3008 TIMING: 2091000 CPU: 6061.69, 0.00288936/step Wall: 6061.69, 0.00288936/step, 2.33476 hours remaining, 207.078125 MB of memory in use. ENERGY: 2091000 743.5596 2182.7764 1974.9197 114.8477 -206272.3413 17783.6003 0.0000 0.0000 34318.4297 -149154.2079 299.7114 -183472.6376 -149060.7683 299.3301 -32.8372 -1.9688 557718.1126 9.4927 9.6038 PRESSURE: 2091200 155.379 72.9127 60.8542 72.9141 -184.281 10.0273 60.8537 10.0276 138.071 GPRESSURE: 2091200 180.691 67.3399 53.5361 121.448 -174.226 28.6545 82.9718 -40.9316 207.991 PRESSAVG: 2091200 39.91 33.1557 10.9415 33.1557 44.5546 15.2363 10.9415 15.2363 -48.4083 GPRESSAVG: 2091200 40.0887 31.9769 9.37549 35.7663 45.4164 14.3791 11.4542 14.2831 -48.6026 TIMING: 2091200 CPU: 6062.27, 0.00289042/step Wall: 6062.27, 0.00289042/step, 2.33546 hours remaining, 207.078125 MB of memory in use. ENERGY: 2091200 732.9045 2068.9640 1977.8676 111.3113 -205952.9943 17736.5284 0.0000 0.0000 34340.9518 -148984.4666 299.9081 -183325.4185 -148882.5638 299.5842 36.3897 71.4856 557903.0567 12.0188 12.3008 PRESSURE: 2091400 -58.8073 -108.833 115.62 -108.834 -9.04382 256.919 115.622 256.919 -91.3771 GPRESSURE: 2091400 -21.5119 -60.2888 127.43 -52.3053 11.8439 302.675 96.9768 176.346 -52.9194 PRESSAVG: 2091400 34.7051 -8.74087 32.9678 -8.74099 -5.375 45.2331 32.9677 45.2332 1.24246 GPRESSAVG: 2091400 34.7971 -7.66811 34.325 -10.6723 -5.27364 44.6366 30.9026 45.0896 1.05589 TIMING: 2091400 CPU: 6062.85, 0.00288673/step Wall: 6062.85, 0.00288673/step, 2.33231 hours remaining, 207.078125 MB of memory in use. ENERGY: 2091400 728.6643 2085.7720 1977.9496 119.7307 -205905.2931 17726.8668 0.0000 0.0000 34269.6052 -148996.7044 299.2850 -183266.3096 -148906.1381 299.2167 -53.0761 -20.8625 558090.5334 10.1908 10.1931 PRESSURE: 2091600 -97.3777 -208.571 79.2366 -208.571 -58.4753 -52.1763 79.2352 -52.1749 48.9401 GPRESSURE: 2091600 -95.3738 -151.833 66.8441 -166.304 -27.5182 -107.113 91.1782 -19.217 105.83 PRESSAVG: 2091600 21.7051 -0.339775 28.9662 -0.339729 10.0438 3.34168 28.9661 3.34173 -6.64863 GPRESSAVG: 2091600 21.4448 -1.00451 30.2639 -1.21788 10.5953 4.11572 30.06 3.54611 -6.58944 TIMING: 2091600 CPU: 6063.43, 0.00290568/step Wall: 6063.43, 0.00290568/step, 2.34747 hours remaining, 207.078125 MB of memory in use. ENERGY: 2091600 797.6791 2067.2103 1966.2374 100.2003 -205949.8387 17656.7442 0.0000 0.0000 34534.9755 -148826.7919 301.6025 -183361.7674 -148726.3405 300.2572 -35.6376 -5.6874 557548.7321 8.3668 8.4836 PRESSURE: 2091800 165.891 -3.52273 -138.914 -3.52144 -32.62 -109.627 -138.914 -109.627 -88.9413 GPRESSURE: 2091800 240.893 43.3288 -122.5 6.6453 -109.665 -10.2404 -236.648 -127.385 6.77783 PRESSAVG: 2091800 -33.85 -1.20444 -26.5109 -1.20446 46.9271 -40.3009 -26.5109 -40.3009 4.32464 GPRESSAVG: 2091800 -33.1831 -1.86682 -27.2135 -0.503063 47.3688 -39.3082 -28.4951 -41.0308 3.34505 TIMING: 2091800 CPU: 6064.01, 0.00290991/step Wall: 6064.01, 0.00290991/step, 2.35072 hours remaining, 207.078125 MB of memory in use. ENERGY: 2091800 723.5465 2130.0434 1952.5186 102.7609 -205934.5935 17805.0725 0.0000 0.0000 34227.7267 -148992.9248 298.9193 -183220.6515 -148890.2744 300.2160 14.7767 46.0020 557994.7668 5.8006 5.8436 PRESSURE: 2092000 -152.106 -280.09 112.063 -280.091 59.0512 -19.8797 112.063 -19.8782 222.878 GPRESSURE: 2092000 -68.367 -317.73 155.858 -304.124 117.16 -75.0794 66.899 11.5095 172.245 PRESSAVG: 2092000 -16.4871 -65.0598 15.3469 -65.0598 27.1683 -70.1805 15.3468 -70.1805 9.93212 GPRESSAVG: 2092000 -16.1261 -65.665 16.4893 -65.0656 25.7702 -70.0404 13.9145 -70.2085 10.9444 TIMING: 2092000 CPU: 6064.59, 0.00288428/step Wall: 6064.59, 0.00288428/step, 2.32986 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2092000 734.8500 2083.4089 1952.7280 128.2794 -206100.9054 17940.7722 0.0000 0.0000 34134.6483 -149126.2187 298.1064 -183260.8670 -149024.4789 299.5138 43.2742 73.6795 558194.0312 6.8711 6.8628 PRESSURE: 2092200 335.946 -36.5349 84.9324 -36.5354 -103.019 28.9405 84.9308 28.9418 -126.267 GPRESSURE: 2092200 347.85 -33.0238 18.055 -2.74551 -45.4213 2.96394 134.274 23.9794 -93.224 PRESSAVG: 2092200 20.1133 -11.3123 18.6253 -11.3123 28.4218 -16.6639 18.6254 -16.664 -94.5333 GPRESSAVG: 2092200 20.3113 -10.5978 19.0338 -11.7822 28.6181 -20.1288 18.7555 -14.6397 -94.4859 TIMING: 2092200 CPU: 6065.17, 0.00289148/step Wall: 6065.17, 0.00289148/step, 2.33551 hours remaining, 207.078125 MB of memory in use. ENERGY: 2092200 792.2199 2074.7814 1951.7663 115.9294 -206181.8051 17800.9452 0.0000 0.0000 34321.8922 -149124.2707 299.7416 -183446.1629 -149030.5047 299.5427 35.5534 69.7349 558591.4113 -15.3328 -15.1855 LDB: ============= START OF LOAD BALANCING ============== 6068.55 LDB: ============== END OF LOAD BALANCING =============== 6068.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6068.55 LDB: ============= START OF LOAD BALANCING ============== 6068.84 LDB: Largest compute 4820 load 0.022234 is 18.9% of average load 0.117899 LDB: Average compute 0.001748 is 1.5% of average load 0.117899 LDB: TIME 6068.84 LOAD: AVG 0.117899 MAX 0.179074 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.156 MB LDB: TIME 6068.84 LOAD: AVG 0.117899 MAX 0.179074 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: TIME 6068.84 LOAD: AVG 0.117899 MAX 0.179074 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6068.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6068.85 PRESSURE: 2092400 -231.317 -166.835 141.113 -166.835 -141.721 -134.137 141.115 -134.134 -279.522 GPRESSURE: 2092400 -211.288 -75.9842 110.217 -219.491 -122.084 -90.3663 106.168 -82.7331 -238.02 PRESSAVG: 2092400 73.7987 -28.938 10.5423 -28.938 -34.2402 42.6373 10.5422 42.6374 -39.154 GPRESSAVG: 2092400 75.1022 -26.8711 8.47668 -29.7452 -34.1062 45.0754 11.6913 40.7969 -40.1872 TIMING: 2092400 CPU: 6065.75, 0.00294278/step Wall: 6065.75, 0.00294278/step, 2.37679 hours remaining, 209.894531 MB of memory in use. ENERGY: 2092400 769.8261 2082.2175 1955.1735 120.7607 -206090.8450 17673.4045 0.0000 0.0000 34442.7458 -149046.7169 300.7971 -183489.4627 -148943.7735 299.7456 -217.5200 -190.4640 559596.8416 0.1348 0.2696 PRESSURE: 2092600 158.494 -42.7542 83.1964 -42.7552 239.975 139.247 83.1948 139.249 39.1339 GPRESSURE: 2092600 203.027 13.277 107.703 -51.5014 286.731 180.452 -5.85265 136.107 43.0617 PRESSAVG: 2092600 59.3108 -22.2022 72.0259 -22.2022 -17.8061 8.94233 72.0258 8.94254 -45.4883 GPRESSAVG: 2092600 58.0086 -24.5492 72.7268 -21.0164 -17.4625 8.48085 71.5221 9.37018 -44.2209 TIMING: 2092600 CPU: 6066.34, 0.00290582/step Wall: 6066.34, 0.00290582/step, 2.34677 hours remaining, 210.308594 MB of memory in use. ENERGY: 2092600 783.9042 2042.4067 1992.6763 110.9404 -206457.0731 18144.4500 0.0000 0.0000 34536.5041 -148846.1914 301.6159 -183382.6955 -148750.1252 299.7817 145.8675 177.6068 558864.0304 -1.3279 -1.2249 PRESSURE: 2092800 173.834 55.4529 -44.3491 55.4529 -189.847 61.5381 -44.349 61.5383 -111.847 GPRESSURE: 2092800 165.808 129.277 -162.985 53.7824 -107.565 129.356 105.685 34.2789 -71.434 PRESSAVG: 2092800 27.4255 -15.3539 4.63332 -15.3539 -66.7225 -16.302 4.63326 -16.3021 13.0254 GPRESSAVG: 2092800 26.058 -14.7878 1.98929 -15.3151 -65.3045 -17.3733 5.65282 -16.1397 12.4104 TIMING: 2092800 CPU: 6066.92, 0.00290376/step Wall: 6066.92, 0.00290376/step, 2.34495 hours remaining, 210.308594 MB of memory in use. ENERGY: 2092800 749.5977 2093.3177 1937.5562 113.8877 -206055.1305 17835.4602 0.0000 0.0000 34365.0341 -148960.2768 300.1184 -183325.3109 -148863.8772 300.1858 -42.6200 -4.3969 560508.5248 -8.7572 -8.9453 PRESSURE: 2093000 233.522 84.8654 -34.8669 84.8667 -285.5 49.3176 -34.8673 49.3187 316.027 GPRESSURE: 2093000 220.708 121.796 1.68679 74.7725 -228.458 6.37413 -11.6437 78.793 366.092 PRESSAVG: 2093000 88.5507 -11.6982 -3.27185 -11.6983 -20.7477 11.1984 -3.2719 11.1985 -12.0177 GPRESSAVG: 2093000 88.8285 -12.436 -0.450985 -11.7378 -21.7363 10.905 -2.90248 11.4508 -10.9178 TIMING: 2093000 CPU: 6067.5, 0.00292338/step Wall: 6067.5, 0.00292338/step, 2.36063 hours remaining, 210.308594 MB of memory in use. ENERGY: 2093000 708.4280 2096.3674 1957.6751 117.7258 -206219.3685 17857.9557 0.0000 0.0000 34311.2181 -149169.9983 299.6484 -183481.2164 -149064.6254 299.1965 88.0162 119.4470 558762.3053 18.5951 18.7248 PRESSURE: 2093200 -47.4985 19.9265 115.98 19.9271 -2.88268 43.1214 115.98 43.1187 -476.852 GPRESSURE: 2093200 -1.64056 68.0939 173.181 -17.9843 21.2994 69.9453 118.343 -34.532 -431.829 PRESSAVG: 2093200 88.4571 10.8334 10.7928 10.8335 -88.0002 41.2058 10.7928 41.2057 2.94989 GPRESSAVG: 2093200 89.1898 12.6602 9.44274 11.5343 -87.7385 43.8636 10.9354 41.3989 2.06892 TIMING: 2093200 CPU: 6068.08, 0.0028927/step Wall: 6068.08, 0.0028927/step, 2.33569 hours remaining, 210.308594 MB of memory in use. ENERGY: 2093200 750.7219 2077.1714 1952.5272 117.4749 -206249.5031 17796.7173 0.0000 0.0000 34375.0847 -149179.8056 300.2062 -183554.8903 -149085.7838 299.2638 -175.7442 -137.3901 560479.9186 1.1356 1.1734 PRESSURE: 2093400 -25.6987 99.0003 54.788 98.9994 119.027 39.9855 54.7879 39.9865 -39.592 GPRESSURE: 2093400 62.7966 172.405 -39.981 10.7607 103.678 32.2256 129.877 129.743 -19.3115 PRESSAVG: 2093400 23.2996 26.1897 2.68232 26.1897 -43.276 -19.4753 2.68231 -19.4755 -10.9567 GPRESSAVG: 2093400 22.5762 26.3484 2.83297 25.5019 -43.4947 -20.5367 1.83029 -18.7701 -10.0062 TIMING: 2093400 CPU: 6068.66, 0.00291391/step Wall: 6068.66, 0.00291391/step, 2.35266 hours remaining, 210.308594 MB of memory in use. ENERGY: 2093400 794.8806 2102.5569 1941.5402 123.5085 -206690.0260 18066.1434 0.0000 0.0000 34545.7431 -149115.6533 301.6966 -183661.3963 -149028.8840 299.7808 17.9119 49.0544 558049.1205 -10.3110 -10.3082 PRESSURE: 2093600 -35.8224 -38.0523 -58.9681 -38.0534 88.0073 68.1599 -58.9686 68.1602 -240.289 GPRESSURE: 2093600 -27.9858 16.9674 -48.7081 -54.6067 145.112 80.7313 -79.9402 -3.43055 -206.193 PRESSAVG: 2093600 -43.3686 -0.0942271 -8.36593 -0.0942866 -18.3063 36.1277 -8.36596 36.1278 46.5792 GPRESSAVG: 2093600 -42.7408 -0.708473 -8.15544 1.46953 -17.754 34.3914 -7.13533 36.8976 45.1473 TIMING: 2093600 CPU: 6069.24, 0.00289915/step Wall: 6069.24, 0.00289915/step, 2.34058 hours remaining, 210.308594 MB of memory in use. ENERGY: 2093600 737.7891 2087.1689 1936.4847 107.6478 -206117.2481 17630.4945 0.0000 0.0000 34323.0803 -149294.5828 299.7520 -183617.6631 -149194.2630 299.1729 -62.7012 -29.6890 559254.3611 -5.0319 -5.1159 PRESSURE: 2093800 235.966 94.7551 98.3362 94.7545 176.6 -76.0782 98.3372 -76.0784 -405.59 GPRESSURE: 2093800 229.649 105.037 113.025 132.027 216.722 8.78519 149.111 -99.278 -345.794 PRESSAVG: 2093800 4.45005 -27.287 15.8177 -27.287 4.24462 21.6271 15.8177 21.6271 -34.5609 GPRESSAVG: 2093800 4.81318 -28.5446 18.0207 -28.5063 3.15845 24.1301 14.0589 19.111 -33.8635 TIMING: 2093800 CPU: 6069.82, 0.00288122/step Wall: 6069.82, 0.00288122/step, 2.32594 hours remaining, 210.308594 MB of memory in use. ENERGY: 2093800 787.0976 2101.7932 1957.5031 124.8047 -206124.9279 17803.1850 0.0000 0.0000 34238.5056 -149112.0386 299.0134 -183350.5443 -149004.4232 299.4826 2.3254 33.5256 558803.3363 -8.6221 -8.6306 PRESSURE: 2094000 -16.7611 -40.702 226.145 -40.7022 29.0441 11.9518 226.143 11.9507 -64.6236 GPRESSURE: 2094000 13.6903 -53.6585 233.583 -86.5331 83.3739 -51.8758 266.125 -5.2814 -44.5064 PRESSAVG: 2094000 32.1846 -1.67366 14.993 -1.67354 7.18411 9.7828 14.993 9.78274 -31.2251 GPRESSAVG: 2094000 31.8991 -2.67195 13.7533 -0.976897 7.16003 8.12272 15.0443 11.2512 -30.3025 TIMING: 2094000 CPU: 6070.4, 0.00289432/step Wall: 6070.4, 0.00289432/step, 2.33636 hours remaining, 210.308594 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: 2094000 770.3675 2108.7004 1986.4149 119.5403 -206197.2074 17818.0061 0.0000 0.0000 34329.1313 -149065.0470 299.8048 -183394.1782 -148965.5330 300.1697 -17.4469 17.5193 557406.8540 2.7146 2.9189 PRESSURE: 2094200 127.185 43.6597 79.9991 43.6601 142.517 52.8101 79.9985 52.8118 28.6562 GPRESSURE: 2094200 151.794 19.6597 109.62 -13.8093 134.242 -19.419 -12.8002 87.1845 121.522 PRESSAVG: 2094200 33.2041 -30.5648 5.84521 -30.5647 -19.7509 45.5086 5.84503 45.5087 62.7059 GPRESSAVG: 2094200 33.8189 -29.4911 6.52135 -31.6503 -20.0939 47.2742 5.30025 43.6349 62.7442 TIMING: 2094200 CPU: 6070.97, 0.0028758/step Wall: 6070.97, 0.0028758/step, 2.32125 hours remaining, 210.308594 MB of memory in use. ENERGY: 2094200 722.6003 2098.5318 1958.9112 112.1602 -206128.5143 17884.7610 0.0000 0.0000 34414.0554 -148937.4944 300.5465 -183351.5497 -148838.7193 300.1306 99.4526 135.8525 556953.2687 25.3864 25.4897 PRESSURE: 2094400 -113.957 35.3779 -18.4124 35.3775 -242.999 126.456 -18.4132 126.455 -68.5467 GPRESSURE: 2094400 -133.243 131.425 -36.749 61.0252 -151.429 138.456 -40.6276 147.502 -41.9629 PRESSAVG: 2094400 9.72208 22.0717 56.4982 22.0716 14.294 5.49835 56.4981 5.49839 8.27909 GPRESSAVG: 2094400 10.5504 23.6235 58.597 23.4666 14.0656 4.39631 53.8978 7.40116 8.12148 TIMING: 2094400 CPU: 6071.55, 0.00289126/step Wall: 6071.55, 0.00289126/step, 2.33357 hours remaining, 210.308594 MB of memory in use. ENERGY: 2094400 726.6489 2070.9234 1952.4510 100.3609 -205902.4064 17623.7053 0.0000 0.0000 34456.5468 -148971.7701 300.9176 -183428.3169 -148878.7808 300.2072 -141.8342 -108.8783 559165.5850 10.7651 10.9125 PRESSURE: 2094600 57.7703 -141.606 -21.1932 -141.607 -86.3251 -23.4234 -21.1937 -23.4223 -53.3742 GPRESSURE: 2094600 70.4678 -169.744 49.7814 -85.1746 -71.2933 6.60674 -99.5795 -53.053 7.1111 PRESSAVG: 2094600 -38.6024 -9.93683 49.1348 -9.9369 19.8125 24.6166 49.1348 24.6166 30.9784 GPRESSAVG: 2094600 -39.8621 -10.4861 45.5475 -9.29993 19.9335 26.0148 53.3149 22.8049 32.1161 TIMING: 2094600 CPU: 6072.13, 0.00289389/step Wall: 6072.13, 0.00289389/step, 2.33553 hours remaining, 210.308594 MB of memory in use. ENERGY: 2094600 727.3555 2131.3653 1949.5394 108.4882 -205694.3476 17653.2175 0.0000 0.0000 34299.2155 -148825.1661 299.5436 -183124.3816 -148731.4580 300.3573 -27.3096 2.0952 557302.5882 4.0628 4.0625 PRESSURE: 2094800 35.7729 248.006 132.723 248.006 22.4539 153.484 132.723 153.483 79.795 GPRESSURE: 2094800 23.4821 251.203 96.9615 284.007 130.138 117.609 192.44 138.795 66.3447 PRESSAVG: 2094800 -26.889 -10.6025 -15.0749 -10.6024 40.6213 -39.3034 -15.0748 -39.3034 -63.6603 GPRESSAVG: 2094800 -25.7559 -11.6657 -15.0374 -11.3463 41.642 -40.0354 -15.6679 -37.2195 -65.8634 TIMING: 2094800 CPU: 6072.71, 0.00289563/step Wall: 6072.71, 0.00289563/step, 2.33678 hours remaining, 210.308594 MB of memory in use. ENERGY: 2094800 760.6266 2080.9851 1932.9286 111.1795 -205800.5696 17668.9116 0.0000 0.0000 34490.3772 -148755.5610 301.2130 -183245.9382 -148664.2931 300.0949 46.0073 73.3217 556557.2998 -16.6427 -16.6591 PRESSURE: 2095000 -225.498 -40.4998 -82.7658 -40.4998 -243.116 -132.553 -82.7662 -132.554 -230.76 GPRESSURE: 2095000 -168.381 -39.1036 -107.959 -46.8175 -221.705 -191.827 -42.6337 -38.132 -207.079 PRESSAVG: 2095000 -1.56374 4.97312 42.8608 4.97297 29.4816 23.6592 42.8608 23.6593 -10.206 GPRESSAVG: 2095000 -1.55495 8.68864 42.6402 4.51956 29.4882 24.0566 42.1381 22.6309 -9.26965 TIMING: 2095000 CPU: 6073.29, 0.00291839/step Wall: 6073.29, 0.00291839/step, 2.35498 hours remaining, 210.308594 MB of memory in use. ENERGY: 2095000 768.6710 2082.5498 1959.1308 120.1044 -205270.9951 17358.7807 0.0000 0.0000 34473.8727 -148507.8857 301.0689 -182981.7584 -148406.6724 300.2268 -233.1246 -199.0548 558267.2017 5.9039 6.2212 PRESSURE: 2095200 -112.278 -31.5084 -72.4352 -31.5097 -210.654 187.646 -72.4352 187.647 78.2698 GPRESSURE: 2095200 -33.0732 7.99823 -77.1269 -99.3194 -156.192 212.387 -135.357 184.891 39.3549 PRESSAVG: 2095200 -27.4738 -50.9512 16.9725 -50.9511 56.7174 -24.1719 16.9725 -24.1719 -57.9318 GPRESSAVG: 2095200 -26.7142 -54.1537 17.5819 -51.0104 55.9495 -26.3297 19.458 -21.9249 -57.6967 TIMING: 2095200 CPU: 6073.88, 0.00293553/step Wall: 6073.88, 0.00293553/step, 2.36865 hours remaining, 210.308594 MB of memory in use. ENERGY: 2095200 751.6255 2086.9950 1957.0600 102.0880 -205604.3045 17548.8152 0.0000 0.0000 34683.6151 -148474.1057 302.9006 -183157.7209 -148383.1376 300.7060 -81.5541 -49.9701 558698.4198 -9.5627 -9.4871 PRESSURE: 2095400 126.736 -44.8165 13.3759 -44.8166 -202.689 -6.4217 13.3757 -6.4212 94.9032 GPRESSURE: 2095400 205.171 -59.7031 70.1067 -18.179 -169.04 17.9682 39.5408 39.4115 72.2032 PRESSAVG: 2095400 16.8266 -29.7831 10.7557 -29.7832 32.5914 55.2144 10.7556 55.2146 -33.5004 GPRESSAVG: 2095400 16.2606 -29.3286 11.4257 -29.4815 32.7961 56.7154 8.5353 53.6178 -33.5895 TIMING: 2095400 CPU: 6074.46, 0.00291401/step Wall: 6074.46, 0.00291401/step, 2.35112 hours remaining, 210.308594 MB of memory in use. ENERGY: 2095400 742.1372 2102.5118 1936.0787 122.5413 -206174.3059 17945.8759 0.0000 0.0000 34528.2199 -148796.9412 301.5435 -183325.1611 -148697.9458 301.2151 6.3165 36.1115 558111.4493 5.3059 5.1557 PRESSURE: 2095600 -208.777 -39.7024 -25.7625 -39.7028 -211.501 21.0945 -25.763 21.0942 29.5763 GPRESSURE: 2095600 -177.958 -45.6517 -56.0128 -92.5301 -99.0809 -5.96461 5.89512 82.598 -4.40872 PRESSAVG: 2095600 55.0762 7.49145 7.17283 7.49139 -23.3473 -25.3157 7.17286 -25.3156 -17.3699 GPRESSAVG: 2095600 54.9837 7.74703 6.92327 7.48983 -23.2035 -25.059 7.5762 -26.8816 -17.5205 TIMING: 2095600 CPU: 6075.04, 0.00289694/step Wall: 6075.04, 0.00289694/step, 2.33719 hours remaining, 210.308594 MB of memory in use. ENERGY: 2095600 770.6188 2095.6474 1937.2710 118.9280 -205833.2389 17626.2969 0.0000 0.0000 34324.2348 -148960.2421 299.7621 -183284.4769 -148854.8477 300.1571 -130.2340 -93.8160 558340.6856 4.7863 4.7532 PRESSURE: 2095800 -294.745 -119.2 101.81 -119.201 -108.138 215.649 101.809 215.649 -160.503 GPRESSURE: 2095800 -276.151 -113.063 120.899 -57.2392 -76.8443 107.611 75.5009 213.63 -110.28 PRESSAVG: 2095800 -1.50021 31.1557 1.05199 31.1557 31.5635 58.7086 1.0519 58.7086 -19.3477 GPRESSAVG: 2095800 -1.78294 29.7701 1.48243 31.3857 31.0974 60.4411 1.23921 56.5227 -18.4766 TIMING: 2095800 CPU: 6075.62, 0.00289616/step Wall: 6075.62, 0.00289616/step, 2.3364 hours remaining, 210.308594 MB of memory in use. ENERGY: 2095800 738.2645 2064.5402 1947.7699 110.4288 -205527.0336 17458.7153 0.0000 0.0000 34217.9155 -148989.3996 298.8336 -183207.3151 -148888.6508 300.2095 -187.7954 -154.4250 557013.2637 3.5719 3.6126 PRESSURE: 2096000 -17.5434 38.214 97.5837 38.2138 14.1614 35.6032 97.5837 35.6031 -111.89 GPRESSURE: 2096000 -33.5949 -5.4413 80.1537 78.1537 72.7527 53.2575 93.6046 -13.9019 -45.8687 PRESSAVG: 2096000 21.6186 18.147 -17.7996 18.147 5.74099 35.8071 -17.7996 35.807 -33.0706 GPRESSAVG: 2096000 22.863 19.1179 -18.7124 17.3261 6.21875 32.2021 -19.5435 39.2196 -33.9231 TIMING: 2096000 CPU: 6076.2, 0.00289751/step Wall: 6076.2, 0.00289751/step, 2.33733 hours remaining, 210.308594 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: 2096000 720.5406 2082.1206 1941.9912 104.9691 -206133.1227 17895.8213 0.0000 0.0000 34227.7262 -149159.9537 298.9192 -183387.6799 -149059.6867 299.8270 -38.4239 -2.2370 557603.2946 -1.9037 -1.6138 PRESSURE: 2096200 13.6948 0.800522 -5.13339 0.801128 78.9414 -158.309 -5.13268 -158.308 107.481 GPRESSURE: 2096200 46.0528 -3.96023 -38.7308 -28.2928 150.385 -48.5404 -12.8818 -120.659 109.206 PRESSAVG: 2096200 -4.3179 38.9518 -70.0558 38.9518 6.62604 -15.1697 -70.0558 -15.1696 -41.0997 GPRESSAVG: 2096200 -4.18932 38.6539 -69.1288 38.8539 6.82608 -12.6307 -69.6136 -15.4786 -41.4877 TIMING: 2096200 CPU: 6076.78, 0.00287506/step Wall: 6076.78, 0.00287506/step, 2.31906 hours remaining, 210.308594 MB of memory in use. ENERGY: 2096200 725.3358 2086.7354 1959.5805 101.5060 -206255.1212 17953.0447 0.0000 0.0000 34324.3187 -149104.6001 299.7628 -183428.9189 -149009.6981 298.8162 66.7056 101.8813 556490.6683 -12.9305 -12.9503 LDB: ============= START OF LOAD BALANCING ============== 6080.16 LDB: ============== END OF LOAD BALANCING =============== 6080.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6080.16 LDB: ============= START OF LOAD BALANCING ============== 6080.46 LDB: Largest compute 4793 load 0.022303 is 18.9% of average load 0.117889 LDB: Average compute 0.001744 is 1.5% of average load 0.117889 LDB: TIME 6080.46 LOAD: AVG 0.117889 MAX 0.179974 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.371 MB LDB: TIME 6080.46 LOAD: AVG 0.117889 MAX 0.179974 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.371 MB LDB: TIME 6080.46 LOAD: AVG 0.117889 MAX 0.179974 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.371 MB LDB: ============== END OF LOAD BALANCING =============== 6080.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6080.47 PRESSURE: 2096400 -184.048 245.044 -137.772 245.043 121.406 -28.5913 -137.772 -28.5907 -24.1874 GPRESSURE: 2096400 -139.913 274.841 -49.4082 251.942 173.733 -6.22467 -214.426 -89.7411 -28.7083 PRESSAVG: 2096400 -19.3937 23.1165 -43.7868 23.1165 -15.4597 12.718 -43.7868 12.7179 45.3256 GPRESSAVG: 2096400 -20.135 22.8874 -44.7456 24.1164 -15.8054 10.8897 -42.6838 12.0534 45.9679 TIMING: 2096400 CPU: 6077.37, 0.00298722/step Wall: 6077.37, 0.00298723/step, 2.40936 hours remaining, 210.976562 MB of memory in use. ENERGY: 2096400 760.8420 2048.1227 1954.1952 119.1051 -205825.7209 17641.2689 0.0000 0.0000 34322.2244 -148979.9625 299.7445 -183302.1870 -148883.1102 299.5491 -28.9433 1.7038 558573.2997 3.4907 3.3425 PRESSURE: 2096600 -24.8512 50.6356 20.7601 50.6363 31.0994 114.455 20.7603 114.457 -53.002 GPRESSURE: 2096600 -8.18688 41.0477 -63.7961 21.8859 77.81 82.1499 38.3514 93.0251 -15.4338 PRESSAVG: 2096600 -49.8005 45.5521 20.0404 45.5521 56.1761 -39.2233 20.0404 -39.2233 -37.7001 GPRESSAVG: 2096600 -50.2259 46.2603 20.2613 43.5626 56.1121 -38.7565 19.9678 -39.4968 -36.8659 TIMING: 2096600 CPU: 6077.96, 0.00292215/step Wall: 6077.96, 0.00292215/step, 2.35671 hours remaining, 211.046875 MB of memory in use. ENERGY: 2096600 764.9455 2026.7281 1948.7082 103.4694 -205884.5915 17882.2516 0.0000 0.0000 34260.3095 -148898.1792 299.2038 -183158.4887 -148803.6455 299.6592 -15.5846 18.0631 558665.4808 -10.4415 -10.3266 PRESSURE: 2096800 -262.235 -172.772 60.0634 -172.774 -441.072 -18.8573 60.0645 -18.8565 -88.6504 GPRESSURE: 2096800 -263.529 -100.219 16.7497 -203.01 -428.623 -20.7127 57.3252 -43.9024 2.37853 PRESSAVG: 2096800 18.0678 12.105 11.9229 12.1049 26.8461 24.4596 11.923 24.4595 0.264811 GPRESSAVG: 2096800 17.6029 11.5696 11.35 13.5019 27.8047 25.7922 11.9384 25.0229 -0.584337 TIMING: 2096800 CPU: 6078.54, 0.00292673/step Wall: 6078.54, 0.00292673/step, 2.36025 hours remaining, 211.046875 MB of memory in use. ENERGY: 2096800 741.3806 2028.7257 1962.1429 106.9011 -205737.4995 17382.9795 0.0000 0.0000 34430.8572 -149084.5126 300.6932 -183515.3698 -148988.8515 299.6942 -263.9860 -229.9245 559094.0046 15.0596 14.9411 PRESSURE: 2097000 316.038 65.5196 153.72 65.5205 55.3797 -32.5032 153.719 -32.5024 -319.65 GPRESSURE: 2097000 308.369 58.5933 123.414 6.33916 74.6624 -4.48 126.798 -28.468 -239.615 PRESSAVG: 2097000 -0.804853 -35.5621 107.76 -35.562 30.8771 58.1848 107.76 58.185 10.8886 GPRESSAVG: 2097000 0.233773 -36.7231 106.912 -34.6243 28.8509 58.0299 109.037 58.1458 11.6456 TIMING: 2097000 CPU: 6079.12, 0.00288966/step Wall: 6079.12, 0.00288967/step, 2.33019 hours remaining, 211.046875 MB of memory in use. ENERGY: 2097000 754.5353 2095.0275 1937.5529 110.4478 -206233.4430 17884.1668 0.0000 0.0000 34296.0984 -149155.6144 299.5164 -183451.7128 -149054.3515 299.7417 17.2560 47.8054 556562.3743 13.6536 13.5768 PRESSURE: 2097200 -129.153 -65.7742 -5.40618 -65.775 -196.536 44.8106 -5.40659 44.8118 -13.4972 GPRESSURE: 2097200 -130.662 -8.04689 17.7177 -71.023 -174.475 23.6258 -25.9461 40.5326 58.683 PRESSAVG: 2097200 30.513 1.11922 43.091 1.11932 3.03142 -7.8351 43.091 -7.83511 -17.2695 GPRESSAVG: 2097200 30.7412 2.84807 45.5883 -1.95345 3.10185 -9.04851 41.8945 -6.86104 -18.0644 TIMING: 2097200 CPU: 6079.7, 0.00289663/step Wall: 6079.7, 0.00289663/step, 2.33565 hours remaining, 211.046875 MB of memory in use. ENERGY: 2097200 748.9891 2041.1206 1931.7140 101.0231 -205616.6164 17613.8491 0.0000 0.0000 34120.1335 -149059.7871 297.9796 -183179.9206 -148964.4091 299.1072 -113.0622 -82.1510 558728.0440 5.4250 5.2595 PRESSURE: 2097400 196.989 19.8805 143.706 19.8804 31.5605 -15.5017 143.706 -15.5021 87.7435 GPRESSURE: 2097400 190.333 75.046 202.418 -4.91758 59.7745 54.8841 81.9754 -54.6447 164.221 PRESSAVG: 2097400 -24.4499 0.986322 4.33198 0.986231 25.75 -14.843 4.33198 -14.8429 -10.6236 GPRESSAVG: 2097400 -24.619 -0.583845 4.10584 2.72895 26.4659 -14.1908 5.51058 -15.9676 -10.7974 TIMING: 2097400 CPU: 6080.28, 0.00290316/step Wall: 6080.28, 0.00290316/step, 2.34075 hours remaining, 211.046875 MB of memory in use. ENERGY: 2097400 738.0331 2073.3815 1957.3960 109.7547 -206051.4988 17872.5787 0.0000 0.0000 34258.6344 -149041.7202 299.1892 -183300.3547 -148948.4177 299.3830 105.4310 138.1094 557415.2639 -3.1079 -2.9835 PRESSURE: 2097600 -18.0652 -47.4792 21.4294 -47.4802 4.38689 -25.7502 21.4308 -25.7504 -287.83 GPRESSURE: 2097600 -12.2063 -118.662 90.5517 -14.7268 38.6461 -56.3997 14.0924 28.164 -234.545 PRESSAVG: 2097600 -51.2695 -10.851 17.6769 -10.851 62.661 20.3367 17.6769 20.3368 -53.5361 GPRESSAVG: 2097600 -51.3447 -9.15231 16.7876 -11.0303 63.6611 19.6611 17.0909 21.8097 -54.4997 TIMING: 2097600 CPU: 6080.86, 0.00289922/step Wall: 6080.86, 0.00289922/step, 2.33742 hours remaining, 211.046875 MB of memory in use. ENERGY: 2097600 721.0413 2078.0905 1936.1430 126.8534 -205913.1814 17548.4398 0.0000 0.0000 34446.5670 -149056.0464 300.8304 -183502.6134 -148952.8173 299.4718 -100.5029 -69.3685 558070.3009 -14.0482 -14.0611 PRESSURE: 2097800 14.0404 -93.5349 -85.2914 -93.5348 264.745 42.0229 -85.2909 42.0212 151.955 GPRESSURE: 2097800 43.8903 -3.32443 -83.9275 -109.949 266.884 21.9429 -171.503 127.058 221.838 PRESSAVG: 2097800 -78.2659 41.0221 32.3251 41.0221 55.9619 -14.4415 32.3251 -14.4415 31.4857 GPRESSAVG: 2097800 -78.8088 37.5598 32.2325 41.5832 55.3275 -12.912 31.1927 -15.8607 32.0856 TIMING: 2097800 CPU: 6081.45, 0.00294138/step Wall: 6081.45, 0.00294138/step, 2.37124 hours remaining, 211.046875 MB of memory in use. ENERGY: 2097800 720.6048 2064.5297 1965.6755 101.4533 -205912.9133 17926.8039 0.0000 0.0000 34078.5613 -149055.2848 297.6166 -183133.8461 -148955.8423 299.8566 143.5801 177.5372 556056.3130 3.0606 2.8681 PRESSURE: 2098000 -159.278 173.319 -58.9489 173.319 -230.356 23.6931 -58.9495 23.6928 50.8544 GPRESSURE: 2098000 -101.222 222.701 -97.7007 225.804 -174.437 -1.97672 20.7227 41.6167 35.7018 PRESSAVG: 2098000 -48.1898 -12.3597 26.7822 -12.3597 10.5202 -68.641 26.7822 -68.641 58.0502 GPRESSAVG: 2098000 -48.4423 -10.9611 25.6599 -12.1269 9.94378 -67.1004 29.0915 -69.7469 58.8916 TIMING: 2098000 CPU: 6082.03, 0.00292386/step Wall: 6082.03, 0.00292386/step, 2.35696 hours remaining, 211.046875 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: 2098000 782.4684 2048.2120 1934.0678 101.2492 -205662.7260 17565.6859 0.0000 0.0000 34200.2999 -149030.7429 298.6797 -183231.0428 -148935.2805 299.3662 -112.9265 -79.9858 558150.8402 6.7936 6.7977 PRESSURE: 2098200 119.957 -13.0063 -47.277 -13.0061 -45.1903 3.92059 -47.276 3.921 134.461 GPRESSURE: 2098200 101.012 -21.5592 -94.217 21.7538 -9.04533 -2.70948 -82.309 56.712 213.888 PRESSAVG: 2098200 10.4615 44.1625 9.89896 44.1625 11.0259 -22.643 9.89901 -22.643 -29.6573 GPRESSAVG: 2098200 11.0828 45.3774 8.73019 44.0068 11.4726 -26.0856 8.89559 -22.0651 -30.1145 TIMING: 2098200 CPU: 6082.61, 0.00289677/step Wall: 6082.61, 0.00289677/step, 2.33495 hours remaining, 211.046875 MB of memory in use. ENERGY: 2098200 726.8748 2091.9299 1934.8604 102.4897 -206053.3286 17746.5119 0.0000 0.0000 34486.7171 -148963.9448 301.1811 -183450.6619 -148871.3803 299.4324 69.7424 101.9515 556467.0220 -2.7233 -2.5197 PRESSURE: 2098400 157.611 11.689 -20.6288 11.6898 -115.46 163.805 -20.6291 163.805 -72.4678 GPRESSURE: 2098400 164.177 -19.1795 -66.2186 -20.6454 -20.9306 158.681 16.4174 184.586 -80.246 PRESSAVG: 2098400 37.4347 -6.51436 14.5121 -6.51439 13.4846 -20.3109 14.5122 -20.3109 -59.3791 GPRESSAVG: 2098400 37.6256 -7.67717 16.7659 -6.51711 13.7017 -20.9723 13.5755 -20.9262 -60.0086 TIMING: 2098400 CPU: 6083.19, 0.00288938/step Wall: 6083.19, 0.00288938/step, 2.32884 hours remaining, 211.046875 MB of memory in use. ENERGY: 2098400 729.3345 2082.4490 1931.0610 116.3629 -206074.5194 17797.3052 0.0000 0.0000 34446.0848 -148971.9220 300.8262 -183418.0068 -148873.4914 299.7528 -10.1056 21.0000 558085.3519 -2.8199 -2.8938 PRESSURE: 2098600 81.943 -224.575 117.252 -224.577 64.403 7.7124 117.252 7.71037 -34.6468 GPRESSURE: 2098600 87.1882 -218.075 177.324 -251.02 128.289 -40.2072 86.8164 54.9 1.78153 PRESSAVG: 2098600 10.5739 30.2478 -37.5878 30.2477 36.2571 65.3464 -37.5877 65.3465 19.6663 GPRESSAVG: 2098600 10.0745 32.4243 -39.5006 30.3768 34.9683 66.1959 -36.3252 65.3285 21.5247 TIMING: 2098600 CPU: 6083.77, 0.00289586/step Wall: 6083.77, 0.00289586/step, 2.3339 hours remaining, 211.046875 MB of memory in use. ENERGY: 2098600 752.5042 2043.5647 1942.0234 116.2785 -206021.3823 17936.3488 0.0000 0.0000 34360.1612 -148870.5016 300.0758 -183230.6628 -148769.5934 300.0622 37.2331 72.4196 558037.2107 22.1658 22.1891 PRESSURE: 2098800 174.515 -33.4922 175.586 -33.4921 82.3384 171.846 175.586 171.846 -141.238 GPRESSURE: 2098800 185.002 -21.1725 220.038 -3.94275 97.3414 237.808 191.719 105.829 -63.9339 PRESSAVG: 2098800 81.8617 -34.2209 -20.6524 -34.2208 -10.4773 49.1702 -20.6525 49.1702 -66.1966 GPRESSAVG: 2098800 81.9403 -36.33 -18.8447 -34.0309 -10.3715 48.9002 -20.5071 49.5813 -66.496 TIMING: 2098800 CPU: 6084.35, 0.00289818/step Wall: 6084.35, 0.00289818/step, 2.33561 hours remaining, 211.046875 MB of memory in use. ENERGY: 2098800 749.4169 1993.2510 1972.9734 124.2442 -205941.8341 17890.4116 0.0000 0.0000 34400.9378 -148810.5992 300.4319 -183211.5370 -148711.9544 300.5417 38.5386 72.8031 558385.2492 1.7293 1.6909 PRESSURE: 2099000 38.5897 -30.2016 -117.888 -30.203 53.9498 -45.4094 -117.887 -45.4083 61.1199 GPRESSURE: 2099000 78.6432 17.6001 -126.625 -38.9282 50.3586 -32.1598 -129.067 -43.5949 117.211 PRESSAVG: 2099000 62.7098 33.463 21.6238 33.463 -19.9596 67.976 21.6239 67.976 -34.9863 GPRESSAVG: 2099000 62.9998 35.0056 19.946 33.4122 -18.453 67.1169 22.1547 68.0773 -36.3219 TIMING: 2099000 CPU: 6084.92, 0.00287452/step Wall: 6084.92, 0.00287452/step, 2.31638 hours remaining, 211.046875 MB of memory in use. ENERGY: 2099000 711.5988 2104.6125 1961.1995 116.9136 -206103.1776 17822.8973 0.0000 0.0000 34252.9754 -149132.9805 299.1398 -183385.9559 -149033.0091 300.3469 51.2198 82.0710 558482.0543 2.5880 2.7416 PRESSURE: 2099200 -254.488 35.9564 -119.894 35.9556 -231.753 -39.3528 -119.893 -39.3535 -3.12328 GPRESSURE: 2099200 -249.139 -59.1149 -73.2483 52.0551 -231.557 5.43289 -230.115 -69.7718 114.35 PRESSAVG: 2099200 92.4927 31.5137 35.767 31.5137 -18.8369 57.9277 35.767 57.9277 -71.024 GPRESSAVG: 2099200 92.9218 30.5105 36.2296 32.2353 -20.6785 58.8896 33.458 57.6687 -69.3603 TIMING: 2099200 CPU: 6085.5, 0.00289943/step Wall: 6085.5, 0.00289943/step, 2.3363 hours remaining, 211.046875 MB of memory in use. ENERGY: 2099200 719.4738 2107.4344 1949.1395 108.9262 -206189.1311 17605.2247 0.0000 0.0000 34550.7076 -149148.2248 301.7399 -183698.9324 -149045.5945 299.7103 -163.1213 -122.1151 557706.6077 0.8773 0.9610 PRESSURE: 2099400 49.5201 -81.3383 -6.4928 -81.3389 -124.37 -13.8401 -6.4938 -13.8401 -123.636 GPRESSURE: 2099400 48.1251 -129.748 34.3001 -61.6902 -95.0716 5.28662 -26.286 33.6002 -48.0726 PRESSAVG: 2099400 88.7768 -15.9361 20.5508 -15.9361 13.0905 85.4166 20.5508 85.4167 -87.8554 GPRESSAVG: 2099400 87.6448 -15.355 22.3122 -17.1434 13.2167 86.5952 23.2703 85.5644 -86.8652 TIMING: 2099400 CPU: 6086.09, 0.00291191/step Wall: 6086.09, 0.00291191/step, 2.34619 hours remaining, 211.046875 MB of memory in use. ENERGY: 2099400 744.4350 2076.5492 1944.5709 112.9226 -206182.8264 17869.9564 0.0000 0.0000 34207.9731 -149226.4191 298.7467 -183434.3922 -149135.1431 299.5142 -66.1620 -31.6730 559055.5658 4.6706 4.6655 PRESSURE: 2099600 -142.613 -81.1652 2.52802 -81.165 130.836 75.2853 2.52788 75.2864 -90.0662 GPRESSURE: 2099600 -132.967 -99.7918 -129.032 -46.2205 152.234 103.983 112.991 -14.0967 -19.6812 PRESSAVG: 2099600 24.1011 -28.4848 -9.37691 -28.4849 -4.34858 25.3974 -9.37681 25.3973 -38.6427 GPRESSAVG: 2099600 24.8594 -27.2936 -12.352 -27.5381 -2.28638 24.4944 -11.1178 25.0783 -41.4717 TIMING: 2099600 CPU: 6086.68, 0.00294452/step Wall: 6086.68, 0.00294452/step, 2.3723 hours remaining, 211.046875 MB of memory in use. ENERGY: 2099600 748.3851 2075.9746 1942.7508 108.9329 -206419.6980 17966.5441 0.0000 0.0000 34174.7250 -149402.3854 298.4564 -183577.1104 -149308.0297 299.1808 -33.9478 -0.1380 559015.0859 -6.2967 -6.2996 PRESSURE: 2099800 -118.697 -55.7039 29.4258 -55.7034 -37.2409 -125.358 29.4262 -125.357 48.8745 GPRESSURE: 2099800 3.14297 -58.4576 26.2502 -58.7295 -57.7235 -90.9144 -73.4144 -135.893 54.3754 PRESSAVG: 2099800 -10.4215 19.9941 -29.9272 19.994 22.802 -66.8371 -29.9272 -66.837 -7.8735 GPRESSAVG: 2099800 -10.8073 19.2874 -27.8924 19.9817 21.1612 -65.4722 -29.2577 -66.3735 -5.74162 TIMING: 2099800 CPU: 6087.27, 0.00296432/step Wall: 6087.27, 0.00296432/step, 2.38809 hours remaining, 211.046875 MB of memory in use. ENERGY: 2099800 757.1415 2094.0164 1941.1658 117.4558 -206189.7499 17862.4955 0.0000 0.0000 34202.0690 -149215.4059 298.6952 -183417.4749 -149122.5912 298.6110 -35.6880 -0.0684 559236.6065 1.5023 1.5374 PRESSURE: 2100000 224.258 5.14673 39.4882 5.14735 -111.356 -135.232 39.4875 -135.233 136.228 GPRESSURE: 2100000 240.821 -85.8641 -56.8353 84.674 -58.5759 -66.3973 95.3568 -160.055 172.471 PRESSAVG: 2100000 36.7696 60.2365 34.543 60.2365 -26.651 -10.5842 34.543 -10.5843 -30.9413 GPRESSAVG: 2100000 36.8479 56.8856 33.5806 60.0968 -26.0282 -10.9245 34.0201 -9.85295 -32.1541 TIMING: 2100000 CPU: 6087.86, 0.00293542/step Wall: 6087.86, 0.00293542/step, 2.36465 hours remaining, 211.046875 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: 2100000 715.1422 2108.3090 1942.0421 124.0477 -206272.4256 17990.7672 0.0000 0.0000 34224.8644 -149167.2530 298.8943 -183392.1174 -149065.0574 298.8133 83.0436 118.2386 559942.1722 -6.9409 -7.1114 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2100000 WRITING COORDINATES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2100200 179.436 -157.146 -82.8814 -157.145 -121.43 -160.917 -82.8807 -160.92 214.609 GPRESSURE: 2100200 211.765 -119.113 -90.7214 -202.623 -69.6499 -193.356 -108.043 -86.6654 229.522 PRESSAVG: 2100200 -10.983 -10.2669 0.79615 -10.267 16.7435 -71.9017 0.796193 -71.9018 -15.7691 GPRESSAVG: 2100200 -10.1867 -9.57381 0.786443 -11.3345 16.4755 -72.3951 0.452779 -74.3229 -16.0388 TIMING: 2100200 CPU: 6088.46, 0.00300038/step Wall: 6088.46, 0.00300038/step, 2.41681 hours remaining, 211.171875 MB of memory in use. ENERGY: 2100200 756.8997 2057.5868 1930.2256 118.5804 -206548.1073 18152.4185 0.0000 0.0000 34278.8211 -149253.5750 299.3655 -183532.3962 -149157.6167 299.3086 90.8713 123.8790 558163.6667 -3.3362 -3.2500 LDB: ============= START OF LOAD BALANCING ============== 6091.84 LDB: ============== END OF LOAD BALANCING =============== 6091.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6091.84 LDB: ============= START OF LOAD BALANCING ============== 6092.13 LDB: Largest compute 4820 load 0.021406 is 18.2% of average load 0.117891 LDB: Average compute 0.001743 is 1.5% of average load 0.117891 LDB: TIME 6092.14 LOAD: AVG 0.117891 MAX 0.180136 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.391 MB LDB: TIME 6092.14 LOAD: AVG 0.117891 MAX 0.180136 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: TIME 6092.14 LOAD: AVG 0.117891 MAX 0.180136 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: ============== END OF LOAD BALANCING =============== 6092.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6092.14 PRESSURE: 2100400 -141.039 19.0126 165.981 19.0118 -297.147 149.888 165.98 149.889 -162.202 GPRESSURE: 2100400 -88.2222 16.1319 169.349 -5.18507 -275.876 151.621 138.95 194.98 -133.05 PRESSAVG: 2100400 7.70517 -37.6485 32.5625 -37.6485 -8.34723 -71.714 32.5625 -71.7139 -26.1712 GPRESSAVG: 2100400 8.4369 -36.1764 33.317 -36.9787 -10.1214 -69.8218 34.1019 -70.8804 -25.0625 TIMING: 2100400 CPU: 6089.05, 0.00295953/step Wall: 6089.05, 0.00295953/step, 2.38374 hours remaining, 208.414062 MB of memory in use. ENERGY: 2100400 735.2118 2115.6580 1955.6662 106.8314 -205707.3839 17511.7631 0.0000 0.0000 34227.8703 -149054.3830 298.9205 -183282.2533 -148957.7951 299.2537 -200.1292 -165.7163 558479.2817 -8.9378 -8.9156 PRESSURE: 2100600 -195.425 -13.7072 27.5452 -13.7084 -119.298 54.9141 27.5449 54.9142 -77.72 GPRESSURE: 2100600 -179.572 20.517 -26.1788 -19.0956 -96.3295 78.9104 71.3369 8.67024 -33.3441 PRESSAVG: 2100600 77.9529 -38.7325 36.2269 -38.7325 2.5649 10.6402 36.2269 10.6402 -50.2078 GPRESSAVG: 2100600 77.058 -37.2812 37.3228 -40.0666 4.66265 8.47316 34.9626 10.4079 -50.5557 TIMING: 2100600 CPU: 6089.63, 0.00291185/step Wall: 6089.63, 0.00291185/step, 2.34517 hours remaining, 208.617188 MB of memory in use. ENERGY: 2100600 753.3045 2125.7255 1969.2239 119.4142 -205792.2278 17566.6385 0.0000 0.0000 34267.7671 -148990.1541 299.2689 -183257.9212 -148896.8913 300.1384 -130.8143 -103.0818 558618.2371 10.1033 10.3883 PRESSURE: 2100800 -323.4 -135.639 53.3394 -135.64 -456.252 -28.3904 53.34 -28.3912 -130.671 GPRESSURE: 2100800 -304.027 -163.643 19.3092 -67.7475 -379.413 83.7493 16.1196 3.44038 -116.613 PRESSAVG: 2100800 -9.12106 -56.6495 13.4501 -56.6495 41.2149 -15.0473 13.4502 -15.0473 -3.54174 GPRESSAVG: 2100800 -9.46685 -58.7687 11.6079 -57.1569 41.9025 -12.993 14.3629 -15.3825 -4.14123 TIMING: 2100800 CPU: 6090.21, 0.00290774/step Wall: 6090.21, 0.00290774/step, 2.3417 hours remaining, 208.617188 MB of memory in use. ENERGY: 2100800 756.2274 2172.4271 1958.6539 111.2235 -205838.6896 17563.2512 0.0000 0.0000 34339.2610 -148937.6455 299.8933 -183276.9066 -148842.6951 299.7595 -303.4409 -266.6842 559261.6299 9.5174 9.4315 PRESSURE: 2101000 -139.552 12.5537 97.5557 12.5543 -82.5678 -10.0933 97.5568 -10.0924 -27.9511 GPRESSURE: 2101000 -108.095 -55.1979 87.822 63.3426 -38.9434 -72.4639 143.635 12.4551 -4.6882 PRESSAVG: 2101000 -70.4462 -44.1568 33.9563 -44.1568 10.0606 24.9517 33.9563 24.9516 33.2706 GPRESSAVG: 2101000 -69.2939 -42.7032 34.2984 -42.0378 8.8189 24.2146 33.2905 26.2778 32.8985 TIMING: 2101000 CPU: 6090.79, 0.00289014/step Wall: 6090.79, 0.00289014/step, 2.32736 hours remaining, 208.617188 MB of memory in use. ENERGY: 2101000 743.5038 2127.5171 1970.0058 124.4308 -206102.6035 17689.6083 0.0000 0.0000 34380.6767 -149066.8611 300.2550 -183447.5377 -148973.6131 299.9289 -83.3570 -50.5756 559109.3402 -9.0383 -9.1922 PRESSURE: 2101200 89.8283 -129.4 -149.201 -129.4 -18.8148 -4.28009 -149.2 -4.27939 74.391 GPRESSURE: 2101200 139.992 -114.731 -126.769 -131.04 -2.16541 23.8722 -169.829 -7.5343 101.04 PRESSAVG: 2101200 -29.8762 -86.0816 -2.53873 -86.0817 -10.2517 -17.8878 -2.53874 -17.8879 31.5695 GPRESSAVG: 2101200 -30.88 -85.7621 -2.38704 -86.9522 -10.0355 -17.6058 -2.42262 -19.0449 32.4601 TIMING: 2101200 CPU: 6091.37, 0.00290896/step Wall: 6091.37, 0.00290896/step, 2.34236 hours remaining, 208.617188 MB of memory in use. ENERGY: 2101200 696.1021 2130.8555 1941.7433 119.7971 -206080.8083 18028.2900 0.0000 0.0000 34166.1538 -148997.8666 298.3815 -183164.0203 -148909.2668 299.3871 48.4681 79.6221 558912.8054 -2.8528 -2.8185 PRESSURE: 2101400 294.093 -140.559 -103.887 -140.558 -172.587 -32.1075 -103.887 -32.1073 -47.6675 GPRESSURE: 2101400 300.327 -109.298 -248.796 -166.797 -155.871 38.7179 -24.4552 -70.9793 22.1699 PRESSAVG: 2101400 54.9688 -75.2872 0.511158 -75.2873 -52.2195 30.3482 0.511067 30.3481 -17.9192 GPRESSAVG: 2101400 55.3464 -75.7331 0.513905 -74.036 -52.5133 30.1072 0.760317 31.0946 -17.8721 TIMING: 2101400 CPU: 6091.95, 0.00289242/step Wall: 6091.95, 0.00289242/step, 2.32888 hours remaining, 208.617188 MB of memory in use. ENERGY: 2101400 727.4380 2055.4270 1922.3071 120.9247 -206198.8512 17881.1587 0.0000 0.0000 34537.8575 -148953.7382 301.6277 -183491.5957 -148861.1542 299.0176 24.6128 55.5417 558350.2064 -5.0566 -5.0130 PRESSURE: 2101600 294.451 -79.5371 -23.5695 -79.5359 -154.822 -162.131 -23.5679 -162.132 77.8002 GPRESSURE: 2101600 302.803 -147.065 -83.4999 -29.1796 -117.065 -141.726 42.5424 -102.21 131.894 PRESSAVG: 2101600 71.2641 20.7466 27.7802 20.7466 10.8527 -34.8199 27.7802 -34.8198 -88.6837 GPRESSAVG: 2101600 71.2007 19.73 28.7845 20.9315 10.8287 -35.338 26.0847 -34.4399 -88.9384 TIMING: 2101600 CPU: 6092.53, 0.00288324/step Wall: 6092.53, 0.00288324/step, 2.32133 hours remaining, 208.820312 MB of memory in use. ENERGY: 2101600 759.9314 2090.9570 1930.2969 111.1437 -205839.5581 17849.6513 0.0000 0.0000 34293.4492 -148804.1286 299.4932 -183097.5778 -148711.3987 299.5381 72.4766 105.8771 557998.5878 -2.1890 -2.3030 PRESSURE: 2101800 134.387 29.2862 129.611 29.286 -35.2944 78.202 129.609 78.2019 200.567 GPRESSURE: 2101800 172.202 4.70084 45.1105 -15.4818 -3.46742 169.384 183.21 78.3348 238.614 PRESSAVG: 2101800 25.9463 -20.7588 -26.5027 -20.7588 4.72966 -15.508 -26.5027 -15.508 20.5351 GPRESSAVG: 2101800 25.9922 -21.6669 -27.6466 -21.9937 6.71219 -16.0095 -25.0851 -15.7926 19.1144 TIMING: 2101800 CPU: 6093.11, 0.00289362/step Wall: 6093.11, 0.00289362/step, 2.32952 hours remaining, 208.820312 MB of memory in use. ENERGY: 2101800 737.4484 2107.8917 1957.5488 115.6035 -206160.1282 18013.3967 0.0000 0.0000 34412.4387 -148815.8004 300.5324 -183228.2391 -148718.6839 300.1244 99.8865 135.7828 558643.0908 17.0704 17.2729 PRESSURE: 2102000 11.8709 -138.549 54.8149 -138.548 -45.8697 100.624 54.8139 100.624 -190.786 GPRESSURE: 2102000 78.3117 -164.946 78.5237 -30.1734 -77.7711 141.847 24.7811 62.3306 -130.428 PRESSAVG: 2102000 -38.5242 53.6029 -27.0504 53.6029 2.11329 12.5638 -27.0503 12.5637 24.9993 GPRESSAVG: 2102000 -36.7484 54.9746 -25.5144 54.7914 -1.04999 13.8741 -28.8973 11.5722 26.3204 TIMING: 2102000 CPU: 6093.68, 0.0028838/step Wall: 6093.68, 0.0028838/step, 2.32146 hours remaining, 208.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2102000 742.7262 2050.8235 1946.6559 123.8430 -206079.7508 17819.2833 0.0000 0.0000 34330.7543 -149065.6646 299.8190 -183396.4189 -148965.7630 299.8138 -74.9284 -43.2957 559222.7123 -3.8039 -3.8260 PRESSURE: 2102200 -129.149 194.619 62.0228 194.62 39.1771 30.006 62.0218 30.0063 -120.947 GPRESSURE: 2102200 -30.9932 210.338 5.31878 171.681 -7.68549 2.69174 71.4466 -21.7806 -65.607 PRESSAVG: 2102200 -55.2007 -3.06173 17.2214 -3.06181 55.3119 -37.6237 17.2215 -37.6237 35.1845 GPRESSAVG: 2102200 -55.866 -3.17629 17.9304 -3.85841 56.5143 -40.1187 17.247 -36.9393 34.9476 TIMING: 2102200 CPU: 6094.26, 0.00288673/step Wall: 6094.26, 0.00288673/step, 2.32366 hours remaining, 208.820312 MB of memory in use. ENERGY: 2102200 758.8084 2085.0426 1949.9305 114.2102 -206294.2428 17773.7291 0.0000 0.0000 34464.0464 -149148.4757 300.9831 -183612.5221 -149050.2883 299.3960 -70.3060 -34.7619 558466.4703 11.7652 11.8653 PRESSURE: 2102400 -28.6301 59.9777 -8.46922 59.9776 -168.988 48.6283 -8.46944 48.6286 -211.376 GPRESSURE: 2102400 -7.24835 32.5387 -4.66808 93.629 -168.623 23.0986 -83.1362 24.6752 -142.702 PRESSAVG: 2102400 -19.8699 21.218 2.98174 21.2179 8.54318 66.4019 2.98167 66.4019 24.4369 GPRESSAVG: 2102400 -20.6645 20.473 3.99981 22.7967 8.27647 67.6709 2.65393 65.3268 25.7141 TIMING: 2102400 CPU: 6094.84, 0.00291369/step Wall: 6094.84, 0.00291369/step, 2.3452 hours remaining, 208.820312 MB of memory in use. ENERGY: 2102400 771.1394 2106.6938 1968.5426 108.9550 -205839.7563 17605.3335 0.0000 0.0000 34289.0520 -148990.0400 299.4548 -183279.0920 -148891.7616 299.3409 -136.3313 -106.1911 557883.7735 4.3701 4.4420 PRESSURE: 2102600 -62.2743 81.1314 24.0714 81.1307 -207.327 252.661 24.071 252.663 95.244 GPRESSURE: 2102600 -36.4222 122.602 22.9071 -13.8573 -151.296 185.349 16.5664 283.802 117.674 PRESSAVG: 2102600 -40.527 54.3885 26.4371 54.3885 32.1875 13.6676 26.4371 13.6674 -8.34783 GPRESSAVG: 2102600 -40.6059 54.6806 22.6538 52.0845 33.5888 15.5905 29.4637 13.1769 -10.5899 TIMING: 2102600 CPU: 6095.42, 0.00288363/step Wall: 6095.42, 0.00288363/step, 2.32084 hours remaining, 208.820312 MB of memory in use. ENERGY: 2102600 760.5942 2094.7454 1921.8645 134.2735 -206153.6822 17798.7749 0.0000 0.0000 34197.2091 -149246.2206 298.6527 -183443.4297 -149148.9871 299.3527 -58.1192 -23.3482 557374.1947 -5.5625 -5.8690 PRESSURE: 2102800 147.948 -129.632 -55.6376 -129.633 -12.1333 116.45 -55.6354 116.449 -77.4599 GPRESSURE: 2102800 150.331 -47.0531 -12.6874 -231.67 33.8585 102.109 -20.7123 21.8092 -31.8455 PRESSAVG: 2102800 -0.73971 -11.7744 -7.50534 -11.7745 32.3583 6.70126 -7.50526 6.70123 -39.9774 GPRESSAVG: 2102800 0.560687 -12.476 -5.54463 -10.1683 30.7407 4.86608 -9.68689 8.66592 -39.9427 TIMING: 2102800 CPU: 6096, 0.0029248/step Wall: 6096, 0.0029248/step, 2.35381 hours remaining, 208.820312 MB of memory in use. ENERGY: 2102800 741.8747 2095.2971 1969.3880 112.3837 -206233.6814 17937.0287 0.0000 0.0000 34220.6331 -149157.0761 298.8573 -183377.7092 -149063.9851 299.3923 19.4516 50.7815 558691.3936 -2.7863 -2.8804 PRESSURE: 2103000 185.606 -66.8133 -24.9284 -66.8135 216.362 4.02255 -24.9273 4.02298 -86.3426 GPRESSURE: 2103000 189.661 -146.914 -2.3401 -131.252 257.001 -49.4398 37.0504 -7.72434 -12.145 PRESSAVG: 2103000 11.0075 9.85538 -26.5788 9.85532 -29.6973 2.83555 -26.5788 2.83562 25.8274 GPRESSAVG: 2103000 9.35752 10.6378 -28.149 9.83254 -29.4355 3.95862 -26.4149 1.79453 27.0988 TIMING: 2103000 CPU: 6096.59, 0.00292212/step Wall: 6096.59, 0.00292212/step, 2.3515 hours remaining, 208.820312 MB of memory in use. ENERGY: 2103000 740.5450 2094.0614 1929.6722 120.0867 -206258.7030 17919.3791 0.0000 0.0000 34323.1526 -149131.8061 299.7526 -183454.9587 -149033.6554 299.0867 105.2083 144.8390 557959.7228 2.3792 2.3403 PRESSURE: 2103200 -51.8215 15.1266 -77.2458 15.1272 287.067 -93.2252 -77.2465 -93.2242 67.3881 GPRESSURE: 2103200 -46.9442 -0.385851 -105.465 -48.8635 407.278 -59.8944 -168.885 -142.92 27.1371 PRESSAVG: 2103200 -21.976 -6.28844 -76.2751 -6.28842 10.8128 -44.6538 -76.275 -44.6537 -10.1745 GPRESSAVG: 2103200 -21.9586 -6.62316 -74.6589 -7.0496 11.3243 -46.476 -77.6931 -43.5896 -10.5496 TIMING: 2103200 CPU: 6097.17, 0.00292862/step Wall: 6097.17, 0.00292862/step, 2.35656 hours remaining, 208.820312 MB of memory in use. ENERGY: 2103200 735.5101 2074.6901 1944.6185 102.7439 -206277.0522 17943.1557 0.0000 0.0000 34284.3814 -149191.9526 299.4140 -183476.3340 -149094.0797 299.4213 100.8780 129.1571 558193.7934 -7.1126 -7.0613 PRESSURE: 2103400 21.6747 93.9737 58.7287 93.9733 -72.6309 1.90263 58.7294 1.90238 -209.13 GPRESSURE: 2103400 44.2665 169.863 40.9266 -26.5011 -29.6628 -35.3772 61.5634 -24.8925 -176.051 PRESSAVG: 2103400 6.88277 2.40502 23.169 2.40497 67.3631 -43.5938 23.169 -43.5939 -32.098 GPRESSAVG: 2103400 7.08557 3.40758 21.5636 2.33968 67.2398 -44.088 25.2247 -43.2806 -31.6533 TIMING: 2103400 CPU: 6097.76, 0.00293363/step Wall: 6097.76, 0.00293363/step, 2.36043 hours remaining, 208.820312 MB of memory in use. ENERGY: 2103400 764.7230 2129.8020 1945.9801 108.1021 -206755.5846 17990.7152 0.0000 0.0000 34403.4725 -149412.7897 300.4541 -183816.2622 -149314.1347 299.4630 -86.6955 -53.8158 556645.0248 14.0493 14.2240 PRESSURE: 2103600 7.98779 -97.5567 5.71884 -97.557 19.4429 40.2925 5.71774 40.2931 81.8943 GPRESSURE: 2103600 -2.22768 -89.0793 -2.45829 -158.519 63.6983 81.8733 -28.18 34.419 137.397 PRESSAVG: 2103600 40.99 51.2964 5.82925 51.2964 -49.505 -26.0577 5.82917 -26.0577 17.907 GPRESSAVG: 2103600 41.7019 50.9838 6.27925 51.2842 -48.9724 -23.9308 4.99878 -25.0256 17.1142 TIMING: 2103600 CPU: 6098.34, 0.00288687/step Wall: 6098.34, 0.00288687/step, 2.32265 hours remaining, 208.820312 MB of memory in use. ENERGY: 2103600 785.4032 2059.4693 1956.4502 117.4633 -206475.5224 18067.2999 0.0000 0.0000 34213.5500 -149275.8864 298.7954 -183489.4364 -149182.6183 298.4148 36.4417 66.2891 556834.2114 3.1307 3.2812 PRESSURE: 2103800 208.754 -119.698 -80.5162 -119.698 -82.6259 1.27595 -80.5147 1.27441 -20.7562 GPRESSURE: 2103800 281.655 -150.457 -148.126 -37.6384 -70.4626 43.26 -15.1315 -27.616 -5.48064 PRESSAVG: 2103800 56.3688 -13.5921 -49.4708 -13.5921 -33.0154 -3.66227 -49.4707 -3.66222 -16.7581 GPRESSAVG: 2103800 57.0475 -15.2279 -49.8299 -12.0918 -33.372 -3.79918 -49.2947 -4.89033 -16.6474 TIMING: 2103800 CPU: 6098.92, 0.00288902/step Wall: 6098.92, 0.00288902/step, 2.32421 hours remaining, 208.820312 MB of memory in use. ENERGY: 2103800 734.6464 2062.5552 1945.6955 112.3634 -206377.1538 17842.8264 0.0000 0.0000 34243.2875 -149435.7794 299.0551 -183679.0669 -149334.8001 298.6102 35.1240 68.5707 555807.4620 2.1984 2.3427 PRESSURE: 2104000 192.874 197.154 -103.895 197.155 -64.5311 125.907 -103.895 125.907 78.7621 GPRESSURE: 2104000 218.169 239.916 -33.7726 128.281 26.4234 82.3208 -40.2428 154.38 68.6353 PRESSAVG: 2104000 42.7814 -66.9617 -28.3897 -66.9617 18.856 50.3231 -28.3897 50.3231 -27.7089 GPRESSAVG: 2104000 42.4907 -65.0883 -28.3535 -69.7607 20.0065 48.8663 -25.8774 50.2751 -29.1411 TIMING: 2104000 CPU: 6099.5, 0.00290912/step Wall: 6099.5, 0.00290912/step, 2.34022 hours remaining, 208.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2104000 754.7753 2072.7931 1966.4372 117.6243 -206755.0152 17872.4595 0.0000 0.0000 34321.4396 -149649.4863 299.7377 -183970.9258 -149552.9350 298.8514 69.0351 104.4092 554929.3384 11.3095 11.1187 PRESSURE: 2104200 -255.285 -0.0688493 44.5506 -0.0675717 -181.583 35.9807 44.5502 35.9817 -50.3492 GPRESSURE: 2104200 -239.494 26.7166 35.0011 34.0242 -141.075 70.5071 28.4653 4.57939 -6.59048 PRESSAVG: 2104200 44.5865 15.0535 -20.4188 15.0535 -11.9411 19.8053 -20.4188 19.8054 -34.2485 GPRESSAVG: 2104200 44.6724 15.0239 -19.1943 14.2543 -12.4927 22.5368 -21.8213 18.2765 -33.7365 TIMING: 2104200 CPU: 6100.09, 0.00294925/step Wall: 6100.09, 0.00294925/step, 2.37234 hours remaining, 208.820312 MB of memory in use. ENERGY: 2104200 760.0197 2138.5251 1921.3436 113.4184 -206243.5001 17741.0749 0.0000 0.0000 34203.1818 -149365.9366 298.7049 -183569.1184 -149274.0416 299.2209 -162.4060 -129.0532 557994.0629 -0.5344 -0.5190 LDB: ============= START OF LOAD BALANCING ============== 6103.47 LDB: ============== END OF LOAD BALANCING =============== 6103.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6103.48 LDB: ============= START OF LOAD BALANCING ============== 6103.76 LDB: Largest compute 4793 load 0.021660 is 18.3% of average load 0.118094 LDB: Average compute 0.001745 is 1.5% of average load 0.118094 LDB: TIME 6103.77 LOAD: AVG 0.118094 MAX 0.179702 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.996 MB LDB: TIME 6103.77 LOAD: AVG 0.118094 MAX 0.179702 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.996 MB LDB: TIME 6103.77 LOAD: AVG 0.118094 MAX 0.179702 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.996 MB LDB: ============== END OF LOAD BALANCING =============== 6103.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6103.77 PRESSURE: 2104400 68.4095 31.2667 96.0762 31.2663 85.2058 -115.214 96.0763 -115.215 134.366 GPRESSURE: 2104400 101.665 -30.4163 19.5892 79.9152 111.178 -58.3977 179.995 -106.057 154.344 PRESSAVG: 2104400 66.4011 -48.3987 30.5359 -48.3987 11.5502 -9.98239 30.5359 -9.98235 -69.3495 GPRESSAVG: 2104400 66.4138 -49.6888 29.1512 -47.0688 12.1668 -10.7276 29.9713 -9.3741 -69.6266 TIMING: 2104400 CPU: 6100.68, 0.0029437/step Wall: 6100.68, 0.0029437/step, 2.36771 hours remaining, 209.644531 MB of memory in use. ENERGY: 2104400 728.0718 2132.6956 1922.5678 124.5598 -206188.9503 17793.9229 0.0000 0.0000 34353.3731 -149133.7592 300.0166 -183487.1323 -149033.4457 299.3510 95.9938 122.3956 557325.7146 2.8673 2.9847 PRESSURE: 2104600 -22.3608 -166.83 61.0067 -166.829 -6.17349 3.35367 61.0073 3.35254 -152.862 GPRESSURE: 2104600 -7.26074 -147.068 114.438 -97.336 39.4038 -85.1708 61.4536 8.58883 -114.545 PRESSAVG: 2104600 -5.12417 21.7773 99.412 21.7774 -16.5299 -38.9071 99.4118 -38.9071 49.4907 GPRESSAVG: 2104600 -5.5917 21.5609 100.083 24.612 -18.8152 -40.9275 100.282 -37.6733 51.9068 TIMING: 2104600 CPU: 6101.25, 0.0028813/step Wall: 6101.25, 0.0028813/step, 2.31737 hours remaining, 209.644531 MB of memory in use. ENERGY: 2104600 696.3456 2118.5608 1925.1670 112.7342 -206005.4884 17658.5881 0.0000 0.0000 34300.3102 -149193.7825 299.5531 -183494.0927 -149099.4923 299.6756 -60.4654 -27.4673 557819.7399 9.2789 9.1666 PRESSURE: 2104800 -47.1642 31.8984 -25.788 31.8987 -45.8175 97.7196 -25.7895 97.7203 -27.3751 GPRESSURE: 2104800 -28.505 124.464 -21.9805 -18.7575 -53.4121 168.787 -59.1689 29.8794 63.6774 PRESSAVG: 2104800 15.7756 30.8928 34.6621 30.8928 14.1422 -43.4513 34.662 -43.4513 -12.4189 GPRESSAVG: 2104800 15.6457 30.9298 34.4849 29.8928 14.8632 -42.7345 33.4642 -44.7673 -12.6643 TIMING: 2104800 CPU: 6101.83, 0.00289193/step Wall: 6101.83, 0.00289193/step, 2.32576 hours remaining, 209.644531 MB of memory in use. ENERGY: 2104800 733.0433 2093.9662 1937.9600 120.1492 -206230.6975 17782.3839 0.0000 0.0000 34207.8817 -149355.3133 298.7459 -183563.1950 -149263.4762 299.0553 -40.1189 -6.0799 556927.7173 5.8330 5.9482 PRESSURE: 2105000 -58.7707 115.764 88.2216 115.765 -235.035 -182.183 88.2208 -182.183 -39.7928 GPRESSURE: 2105000 -29.4142 156.313 63.1645 14.4028 -199.359 -269.96 64.3424 -171.243 -6.7088 PRESSAVG: 2105000 37.9562 11.2031 19.4851 11.203 -47.025 -98.6902 19.485 -98.6902 -16.8308 GPRESSAVG: 2105000 38.1632 12.4211 19.1905 11.1019 -45.8995 -97.6651 19.7277 -96.7148 -17.849 TIMING: 2105000 CPU: 6102.41, 0.00290995/step Wall: 6102.41, 0.00290995/step, 2.34009 hours remaining, 209.644531 MB of memory in use. ENERGY: 2105000 783.3114 2042.8600 1938.8413 108.3800 -206125.3384 17690.0643 0.0000 0.0000 34131.6790 -149430.2024 298.0804 -183561.8814 -149336.2744 298.5584 -111.1995 -78.4939 557766.7878 -8.6332 -8.5284 PRESSURE: 2105200 158.003 -20.4211 -27.6051 -20.4202 42.0575 -44.8641 -27.6064 -44.8632 -74.7206 GPRESSURE: 2105200 259.044 -34.8309 -94.0473 24.2181 36.7627 -47.1711 -0.554124 -72.3644 -76.1301 PRESSAVG: 2105200 -1.04583 64.9355 25.0254 64.9355 -16.2634 -56.4452 25.0253 -56.4451 18.2394 GPRESSAVG: 2105200 -0.213051 63.6969 26.6041 64.2131 -17.4031 -58.176 24.5225 -57.106 18.7523 TIMING: 2105200 CPU: 6102.99, 0.00289602/step Wall: 6102.99, 0.00289602/step, 2.32872 hours remaining, 209.644531 MB of memory in use. ENERGY: 2105200 779.9664 2042.9898 1954.8369 114.8849 -206643.6659 18065.8504 0.0000 0.0000 34148.0927 -149537.0447 298.2238 -183685.1374 -149428.5340 298.6336 41.7800 73.2255 556685.6867 0.3101 0.3787 PRESSURE: 2105400 -86.6767 -67.6749 -44.9135 -67.6748 -197.886 -46.6409 -44.9133 -46.6386 -345.739 GPRESSURE: 2105400 -38.6836 -97.2381 -78.3823 -26.1526 -136.911 -43.361 -24.5121 -76.4499 -358.323 PRESSAVG: 2105400 -28.5608 41.4249 -7.19583 41.4249 -2.60493 -35.0599 -7.19581 -35.0598 13.9492 GPRESSAVG: 2105400 -29.7372 42.5633 -8.53148 41.9517 -0.927289 -34.4774 -5.42763 -34.9809 13.4259 TIMING: 2105400 CPU: 6103.57, 0.00291362/step Wall: 6103.57, 0.00291361/step, 2.34271 hours remaining, 209.644531 MB of memory in use. ENERGY: 2105400 746.2835 2097.2414 1973.6978 117.6187 -206168.2659 17588.7860 0.0000 0.0000 34033.7758 -149610.8628 297.2254 -183644.6386 -149513.5639 298.5855 -210.1007 -177.9722 557480.7845 -5.7388 -5.7462 PRESSURE: 2105600 42.2833 -175.421 -66.5424 -175.421 -82.167 53.284 -66.543 53.2848 -137.468 GPRESSURE: 2105600 138.48 -81.8595 -126.003 -283.647 -122.012 53.0978 4.89058 70.6891 -82.8108 PRESSAVG: 2105600 22.1894 -0.315327 35.1849 -0.315247 -53.6249 -13.0604 35.1849 -13.0605 -16.3231 GPRESSAVG: 2105600 22.7923 -0.230047 36.3082 -2.04128 -55.8535 -13.5331 33.1136 -13.3181 -15.0651 TIMING: 2105600 CPU: 6104.15, 0.00287473/step Wall: 6104.15, 0.00287473/step, 2.31128 hours remaining, 209.644531 MB of memory in use. ENERGY: 2105600 747.5828 2142.8477 1926.9653 104.9611 -206321.5404 17851.9874 0.0000 0.0000 34016.6454 -149530.5507 297.0758 -183547.1961 -149435.1980 298.1533 -59.1174 -22.1142 557887.0023 -15.9196 -16.0421 PRESSURE: 2105800 -9.0586 20.3386 -38.1244 20.3388 -0.782654 5.98091 -38.1239 5.98164 33.346 GPRESSURE: 2105800 2.26676 -21.2845 -38.2546 64.3623 22.0356 -31.9269 -87.8359 27.8105 90.9056 PRESSAVG: 2105800 -22.5526 3.67048 -9.85257 3.67044 58.8723 49.7997 -9.85258 49.7996 4.06555 GPRESSAVG: 2105800 -23.2286 3.33575 -11.3497 4.84475 60.6627 50.477 -8.89504 49.2329 2.80413 TIMING: 2105800 CPU: 6104.73, 0.00289297/step Wall: 6104.73, 0.00289297/step, 2.32579 hours remaining, 209.910156 MB of memory in use. ENERGY: 2105800 713.3205 2165.1322 1928.8520 109.5747 -206436.0755 17999.7584 0.0000 0.0000 34272.8812 -149246.5564 299.3136 -183519.4376 -149150.7373 298.5449 7.8349 38.4026 557619.0066 13.4617 13.4127 PRESSURE: 2106000 7.22014 74.1947 -40.0641 74.1958 -47.5275 170.395 -40.0645 170.394 96.0625 GPRESSURE: 2106000 17.1403 59.8954 -96.7234 76.4797 -43.8768 128.322 36.8412 101.372 163.187 PRESSAVG: 2106000 -37.1751 24.2569 49.7505 24.2568 38.8266 40.5954 49.7505 40.5954 -14.0002 GPRESSAVG: 2106000 -37.7804 23.7613 50.7055 24.4997 38.1925 38.3253 50.7022 41.7835 -12.717 TIMING: 2106000 CPU: 6105.31, 0.00289895/step Wall: 6105.31, 0.00289895/step, 2.33044 hours remaining, 209.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2106000 752.5963 2133.9589 1955.4741 101.1947 -206437.0858 17883.3377 0.0000 0.0000 34191.3069 -149419.2172 298.6012 -183610.5241 -149315.5110 298.7998 18.5850 45.4834 557921.8395 -4.1162 -4.1016 PRESSURE: 2106200 -3.59823 -59.6233 39.4143 -59.6229 -163.267 -135.051 39.4142 -135.053 -375.17 GPRESSURE: 2106200 8.1613 -177.04 56.4547 -27.9514 -100.906 -105.31 -0.0975548 -116.549 -348.284 PRESSAVG: 2106200 43.8595 -13.3322 32.0682 -13.3322 -28.1205 -27.9682 32.0683 -27.9682 -32.9621 GPRESSAVG: 2106200 44.8481 -11.9113 31.4042 -16.4199 -27.6976 -25.7659 32.0925 -28.4312 -34.201 TIMING: 2106200 CPU: 6105.89, 0.00289393/step Wall: 6105.89, 0.00289393/step, 2.32624 hours remaining, 209.910156 MB of memory in use. ENERGY: 2106200 727.0355 2098.6349 1950.2643 117.6373 -206273.4420 17638.1313 0.0000 0.0000 34268.3995 -149473.3392 299.2745 -183741.7386 -149372.5284 298.9538 -180.6781 -147.0095 558421.0731 -5.7410 -5.6835 PRESSURE: 2106400 132.358 12.6561 86.983 12.6576 -45.984 -49.1458 86.9828 -49.1447 65.7673 GPRESSURE: 2106400 224.869 -35.872 57.1994 22.7837 -36.7147 -57.7839 42.0963 -13.3281 48.0748 PRESSAVG: 2106400 55.7987 -47.6116 34.261 -47.6117 -45.8018 -38.8102 34.2609 -38.8101 27.2973 GPRESSAVG: 2106400 55.6632 -49.3975 37.2803 -43.7882 -46.1183 -39.2604 32.1227 -39.6562 27.1504 TIMING: 2106400 CPU: 6106.46, 0.00288757/step Wall: 6106.46, 0.00288757/step, 2.32097 hours remaining, 209.910156 MB of memory in use. ENERGY: 2106400 732.2532 2115.1779 1952.9536 114.7166 -206347.8223 17879.2397 0.0000 0.0000 34327.8868 -149225.5945 299.7940 -183553.4813 -149130.7597 299.1614 50.7136 78.7429 555554.1190 12.4314 12.2317 PRESSURE: 2106600 21.1997 -13.4196 -26.8134 -13.4205 120.143 126.579 -26.8132 126.578 152.659 GPRESSURE: 2106600 50.2988 56.679 50.4239 3.00108 137.589 207.122 -25.2544 23.9382 200.56 PRESSAVG: 2106600 -25.138 7.64223 69.1269 7.64222 -10.2111 -7.40541 69.1269 -7.40548 3.92419 GPRESSAVG: 2106600 -24.6244 9.11923 66.2298 6.84175 -10.8105 -7.01599 70.9674 -6.98463 3.76303 TIMING: 2106600 CPU: 6107.05, 0.00291783/step Wall: 6107.05, 0.00291783/step, 2.34512 hours remaining, 209.910156 MB of memory in use. ENERGY: 2106600 720.0534 2095.0542 1934.7952 112.9666 -206711.1130 18038.9537 0.0000 0.0000 34245.0017 -149564.2882 299.0701 -183809.2899 -149463.4043 299.5142 98.0008 129.4825 556247.8783 -10.4750 -10.5573 PRESSURE: 2106800 317.565 -124.747 88.9918 -124.747 212.909 93.7632 88.9932 93.7645 -205.616 GPRESSURE: 2106800 332.035 -153.427 111.014 -67.1283 281.756 184.417 -0.452192 111.937 -197.657 PRESSAVG: 2106800 -22.7449 58.6758 21.8443 58.6759 72.3012 37.5758 21.8443 37.5756 -23.7094 GPRESSAVG: 2106800 -22.8733 57.2664 21.9754 57.9961 72.1898 38.7691 20.2661 35.0015 -23.8709 TIMING: 2106800 CPU: 6107.63, 0.00290309/step Wall: 6107.63, 0.00290309/step, 2.33311 hours remaining, 209.910156 MB of memory in use. ENERGY: 2106800 736.4947 2101.9493 1931.9276 115.1428 -206855.3781 18067.9707 0.0000 0.0000 34228.9255 -149672.9675 298.9297 -183901.8931 -149582.3871 298.8033 108.2862 138.7112 556150.6872 8.6156 8.4819 PRESSURE: 2107000 138.599 143.991 60.2445 143.992 230.28 -11.6842 60.2443 -11.6846 132.424 GPRESSURE: 2107000 137.707 121.823 94.0663 228.537 316.212 -79.3474 107.36 26.0486 149.598 PRESSAVG: 2107000 12.7029 -14.7556 0.0875251 -14.7556 27.4682 27.6114 0.0874432 27.6113 4.48361 GPRESSAVG: 2107000 12.0586 -13.8204 0.317771 -13.9832 27.3619 25.9417 2.20307 29.7451 5.10298 TIMING: 2107000 CPU: 6108.21, 0.00288699/step Wall: 6108.21, 0.00288699/step, 2.32001 hours remaining, 209.980469 MB of memory in use. ENERGY: 2107000 759.8462 2103.8153 1938.8906 111.5991 -206558.7051 17961.4472 0.0000 0.0000 34078.3995 -149604.7072 297.6151 -183683.1067 -149509.5119 298.0302 167.1007 201.1723 555291.8658 14.8849 14.8412 PRESSURE: 2107200 -189.225 -77.5708 -169.152 -77.5698 -71.3466 51.1615 -169.151 51.1615 -259.014 GPRESSURE: 2107200 -163.192 33.7128 -185.715 -115.248 -23.0508 74.7086 -98.1675 3.29527 -236.934 PRESSAVG: 2107200 0.715348 42.8385 29.5271 42.8385 17.6553 28.415 29.5271 28.4151 -6.56851 GPRESSAVG: 2107200 1.57012 44.1061 31.3056 43.1841 16.5858 29.3695 27.9497 29.3145 -6.50563 TIMING: 2107200 CPU: 6108.79, 0.00290698/step Wall: 6108.79, 0.00290698/step, 2.33592 hours remaining, 209.980469 MB of memory in use. ENERGY: 2107200 771.5106 2116.9225 1963.2879 105.0283 -206249.3091 17578.0317 0.0000 0.0000 34216.1850 -149498.3431 298.8185 -183714.5281 -149405.0346 297.8986 -173.1950 -141.0591 557287.3112 3.9341 3.8834 PRESSURE: 2107400 -391.526 74.5621 130.539 74.5616 -93.2991 -7.02294 130.539 -7.02382 54.067 GPRESSURE: 2107400 -334.265 41.7636 123.165 16.4528 -44.7408 32.2003 47.8506 35.3003 57.5052 PRESSAVG: 2107400 39.0757 11.9177 -20.7527 11.9177 4.61852 -17.2052 -20.7528 -17.2052 -16.5115 GPRESSAVG: 2107400 39.169 10.8105 -23.1552 9.90366 4.23424 -15.7509 -20.4189 -16.5063 -16.6921 TIMING: 2107400 CPU: 6109.38, 0.00294451/step Wall: 6109.38, 0.00294451/step, 2.36592 hours remaining, 209.980469 MB of memory in use. ENERGY: 2107400 699.3769 2083.2806 1928.9985 131.2571 -206180.5806 17750.1812 0.0000 0.0000 34115.6760 -149471.8103 297.9407 -183587.4863 -149375.2742 298.2033 -143.5859 -107.1669 558583.8723 9.0609 8.9037 PRESSURE: 2107600 -184.434 -50.0165 6.44531 -50.0161 -150.6 -20.639 6.44341 -20.639 -8.87265 GPRESSURE: 2107600 -115.972 20.9323 115.35 -49.1973 -138.045 2.40747 -69.3421 -33.1378 1.28513 PRESSAVG: 2107600 -31.1891 21.9436 -10.0818 21.9436 44.823 26.2862 -10.0819 26.2863 12.5182 GPRESSAVG: 2107600 -33.0135 21.3667 -9.67208 23.3553 45.8248 24.8674 -11.2632 26.1365 12.6234 TIMING: 2107600 CPU: 6109.96, 0.00290184/step Wall: 6109.96, 0.00290184/step, 2.33147 hours remaining, 209.980469 MB of memory in use. ENERGY: 2107600 744.2161 2147.7413 1981.5431 121.7241 -206247.0888 17694.0324 0.0000 0.0000 34130.9109 -149426.9208 298.0737 -183557.8317 -149334.5335 299.1855 -114.6353 -84.2437 558735.6400 8.7174 8.4782 PRESSURE: 2107800 -28.6478 145.842 -25.9841 145.842 29.0313 -64.8882 -25.9855 -64.8876 20.1124 GPRESSURE: 2107800 34.6246 176.446 -19.2527 99.6879 64.1976 -51.5158 -104.212 -7.87036 23.7677 PRESSAVG: 2107800 18.2099 -16.8522 30.2081 -16.8522 37.8951 23.3013 30.2081 23.3012 -45.8017 GPRESSAVG: 2107800 19.6709 -16.8382 30.6873 -19.6414 37.6391 24.1912 32.3872 26.1917 -47.6197 TIMING: 2107800 CPU: 6110.54, 0.00292535/step Wall: 6110.54, 0.00292535/step, 2.3502 hours remaining, 209.980469 MB of memory in use. ENERGY: 2107800 747.0318 2092.0724 1944.4343 121.2064 -206394.3806 17820.5179 0.0000 0.0000 34111.8618 -149557.2559 297.9074 -183669.1178 -149469.9234 298.8931 6.8320 40.8633 557736.4658 3.4344 3.2301 PRESSURE: 2108000 70.634 -95.9133 66.7038 -95.9143 -131.843 -137.705 66.7033 -137.706 36.9033 GPRESSURE: 2108000 128.495 0.572997 189.102 -145.558 -116.495 -83.2553 -46.1609 -194.13 66.674 PRESSAVG: 2108000 24.4922 -24.9425 -7.29595 -24.9426 -44.9385 -37.0064 -7.296 -37.0065 35.4101 GPRESSAVG: 2108000 24.5903 -24.9633 -6.09588 -21.1481 -45.4176 -38.1203 -8.30594 -39.6369 36.0703 TIMING: 2108000 CPU: 6111.13, 0.00292845/step Wall: 6111.13, 0.00292845/step, 2.35252 hours remaining, 209.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2108000 731.8457 2103.3900 1959.1834 113.0191 -206342.7786 17826.7667 0.0000 0.0000 34154.0943 -149454.4794 298.2762 -183608.5736 -149354.5759 298.7657 -8.1019 26.2248 556687.4254 4.9880 5.0810 PRESSURE: 2108200 43.1695 80.5995 -31.2788 80.6002 -165.334 79.2831 -31.2792 79.2834 40.3357 GPRESSURE: 2108200 89.5544 6.63651 -86.3576 115.854 -117.875 83.2099 -37.7966 27.9035 39.0306 PRESSAVG: 2108200 -13.8532 -42.0106 -50.8518 -42.0106 -43.0906 -30.9942 -50.8519 -30.9941 62.3392 GPRESSAVG: 2108200 -13.4027 -43.4323 -51.9245 -42.0788 -43.1736 -31.3536 -51.8221 -30.2595 61.9443 TIMING: 2108200 CPU: 6111.71, 0.00289167/step Wall: 6111.71, 0.00289167/step, 2.32282 hours remaining, 209.980469 MB of memory in use. ENERGY: 2108200 780.1215 2149.8396 1964.5308 116.7794 -206385.5276 17848.2341 0.0000 0.0000 34180.0353 -149345.9869 298.5027 -183526.0221 -149248.3780 298.6632 -27.2763 3.5699 557445.0293 1.7985 1.7893 LDB: ============= START OF LOAD BALANCING ============== 6115.09 LDB: ============== END OF LOAD BALANCING =============== 6115.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6115.09 LDB: ============= START OF LOAD BALANCING ============== 6115.38 LDB: Largest compute 4792 load 0.022044 is 18.7% of average load 0.117882 LDB: Average compute 0.001745 is 1.5% of average load 0.117882 LDB: TIME 6115.38 LOAD: AVG 0.117882 MAX 0.177941 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 6115.38 LOAD: AVG 0.117882 MAX 0.177941 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: TIME 6115.38 LOAD: AVG 0.117882 MAX 0.177941 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6115.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6115.39 PRESSURE: 2108400 108.207 45.5445 -71.9865 45.5441 133.123 -68.3026 -71.9867 -68.3013 145.995 GPRESSURE: 2108400 131.661 22.691 -95.299 23.9519 182.074 -30.5794 -6.56302 -126.157 169.477 PRESSAVG: 2108400 3.82334 16.671 -24.1525 16.671 0.292071 -26.1102 -24.1525 -26.1101 -23.0923 GPRESSAVG: 2108400 3.08368 17.0152 -24.9894 16.9701 1.18845 -24.9651 -22.4926 -27.1741 -22.0626 TIMING: 2108400 CPU: 6112.29, 0.00293726/step Wall: 6112.29, 0.00293726/step, 2.35928 hours remaining, 209.902344 MB of memory in use. ENERGY: 2108400 759.7789 2095.5616 1959.9730 110.4679 -206760.0073 18286.6405 0.0000 0.0000 34165.2788 -149382.3066 298.3739 -183547.5854 -149289.4387 298.3733 129.1085 161.0706 557628.5717 -6.3256 -5.9302 PRESSURE: 2108600 -361.521 126.874 49.7 126.873 -122.599 3.98946 49.6995 3.98927 -17.6499 GPRESSURE: 2108600 -279.796 236.772 112.321 169.58 -74.0622 74.0647 -1.77943 -96.1242 -43.9882 PRESSAVG: 2108600 -12.8114 6.5804 -13.3247 6.5804 -25.6042 0.0990213 -13.3248 0.0990256 26.1411 GPRESSAVG: 2108600 -12.3353 7.07954 -10.7172 6.30903 -26.3103 0.822342 -15.2442 2.89638 25.9707 TIMING: 2108600 CPU: 6112.88, 0.00291671/step Wall: 6112.88, 0.00291671/step, 2.3426 hours remaining, 210.042969 MB of memory in use. ENERGY: 2108600 768.9184 2137.6147 1952.9403 113.9958 -206102.3602 17604.9772 0.0000 0.0000 34057.4565 -149466.4573 297.4322 -183523.9138 -149365.2970 297.4754 -167.2566 -132.6154 558655.2234 -4.0915 -4.2250 PRESSURE: 2108800 80.1597 -65.2653 236.138 -65.2645 -49.7447 57.1267 236.139 57.1273 -184.114 GPRESSURE: 2108800 93.5204 -83.3394 207.136 -127.652 -44.3378 135.051 281.42 79.0945 -106.725 PRESSAVG: 2108800 0.995303 -37.2964 33.1662 -37.2965 18.6948 -18.8533 33.1663 -18.8533 -6.44482 GPRESSAVG: 2108800 1.06128 -35.9591 32.2807 -39.6908 18.5782 -20.3552 34.2515 -19.4842 -6.60904 TIMING: 2108800 CPU: 6113.45, 0.00289083/step Wall: 6113.45, 0.00289083/step, 2.32166 hours remaining, 210.042969 MB of memory in use. ENERGY: 2108800 755.8212 2084.6469 1960.5352 121.6306 -206417.6313 17855.7711 0.0000 0.0000 33999.5791 -149639.6472 296.9268 -183639.2262 -149548.3525 297.4181 -51.2330 -19.1806 558779.6283 4.4151 4.3435 PRESSURE: 2109000 -12.7514 2.50726 124.713 2.50805 -148.869 45.5653 124.714 45.5658 276.857 GPRESSURE: 2109000 25.1396 -62.5387 118.378 5.3156 -108.929 7.52768 112.849 41.9694 300.248 PRESSAVG: 2109000 28.2929 -37.3376 41.7325 -37.3377 -23.4368 -11.9297 41.7325 -11.9298 13.793 GPRESSAVG: 2109000 28.0731 -39.7371 41.9383 -37.4281 -23.5988 -9.36943 42.3853 -13.377 13.472 TIMING: 2109000 CPU: 6114.04, 0.00293067/step Wall: 6114.04, 0.00293067/step, 2.35349 hours remaining, 210.042969 MB of memory in use. ENERGY: 2109000 789.9959 2094.9184 1949.6336 107.8669 -207151.7335 18247.4334 0.0000 0.0000 34354.7498 -149607.1354 300.0286 -183961.8851 -149517.4746 298.2651 38.4121 72.1529 557942.8855 6.2164 5.9821 PRESSURE: 2109200 -54.2854 -22.3556 194.713 -22.3565 -126.333 -73.3443 194.713 -73.3453 -368.322 GPRESSURE: 2109200 -61.6481 -10.5426 285.641 25.7058 -71.3235 -10.3447 203.128 -71.4469 -313.9 PRESSAVG: 2109200 -10.8096 -18.8704 51.0574 -18.8704 -5.61806 17.8889 51.0575 17.889 14.4091 GPRESSAVG: 2109200 -10.0574 -19.3987 50.5478 -18.1436 -6.60592 14.8861 50.6624 20.294 14.5225 TIMING: 2109200 CPU: 6114.62, 0.0029125/step Wall: 6114.62, 0.0029125/step, 2.33874 hours remaining, 210.042969 MB of memory in use. ENERGY: 2109200 780.7462 2079.4969 1965.0002 114.4017 -206520.3092 17691.4974 0.0000 0.0000 34145.3452 -149743.8215 298.1998 -183889.1668 -149647.5015 298.4464 -182.9803 -148.9573 557188.1805 -0.6729 -0.7136 PRESSURE: 2109400 103.336 38.7876 -111.844 38.7872 -67.901 -184.412 -111.843 -184.41 599.566 GPRESSURE: 2109400 164.062 81.6549 -144.207 -16.8974 -39.2703 -168.767 -154.418 -284.071 616.527 PRESSAVG: 2109400 36.8342 -45.2406 21.1528 -45.2405 -36.2257 -36.2704 21.1528 -36.2704 -9.34593 GPRESSAVG: 2109400 37.3548 -42.5005 21.7733 -47.0117 -35.608 -34.982 18.2125 -37.8341 -11.0733 TIMING: 2109400 CPU: 6115.21, 0.00292738/step Wall: 6115.21, 0.00292738/step, 2.35053 hours remaining, 210.042969 MB of memory in use. ENERGY: 2109400 735.6831 2065.5769 1925.0180 108.4527 -207141.4623 18201.8576 0.0000 0.0000 34261.5754 -149843.2987 299.2149 -184104.8741 -149749.1457 297.5765 211.6671 247.1063 556249.7047 -2.9125 -3.1088 PRESSURE: 2109600 331.259 -76.5148 -153.51 -76.5149 155.375 18.5934 -153.51 18.5927 106.826 GPRESSURE: 2109600 336.264 -49.2954 -129.247 -16.7222 152.479 58.253 -75.2728 -81.5035 194.311 PRESSAVG: 2109600 52.5863 23.3342 -17.1795 23.334 5.55265 -69.0126 -17.1795 -69.0126 -52.2438 GPRESSAVG: 2109600 50.0017 20.5627 -19.9069 26.6944 6.42444 -69.5486 -12.7107 -68.326 -51.1542 TIMING: 2109600 CPU: 6115.79, 0.00292642/step Wall: 6115.79, 0.00292642/step, 2.34959 hours remaining, 210.042969 MB of memory in use. ENERGY: 2109600 727.4223 2081.3732 1954.9007 115.8552 -206934.0945 18002.9623 0.0000 0.0000 34179.0609 -149872.5199 298.4942 -184051.5808 -149771.9729 298.1897 197.8199 227.6844 554964.4947 1.9651 1.7573 PRESSURE: 2109800 109.384 -49.7872 12.149 -49.7874 100.272 183.097 12.1496 183.096 -102.863 GPRESSURE: 2109800 118.624 31.3499 33.3124 -72.8423 87.6824 163.038 51.1834 223.532 4.19186 PRESSAVG: 2109800 43.3484 -15.1063 -22.3503 -15.1063 37.4761 64.8035 -22.3503 64.8035 -46.7222 GPRESSAVG: 2109800 45.4399 -11.4714 -20.5829 -18.5757 35.0772 65.6238 -23.9591 63.3197 -46.3307 TIMING: 2109800 CPU: 6116.37, 0.00288586/step Wall: 6116.37, 0.00288586/step, 2.31686 hours remaining, 210.042969 MB of memory in use. ENERGY: 2109800 691.0350 2076.0253 1948.0989 100.2432 -206743.3231 18045.5126 0.0000 0.0000 34107.8895 -149774.5186 297.8727 -183882.4081 -149675.2653 297.5613 35.5977 70.1661 556165.0847 11.3674 11.3955 PRESSURE: 2110000 115.781 5.93156 179.949 5.93218 41.5611 -24.0977 179.95 -24.0978 95.4436 GPRESSURE: 2110000 123.725 46.5799 189.878 10.7645 154.73 91.1829 181.398 6.56171 74.705 PRESSAVG: 2110000 21.9614 -0.890546 23.5341 -0.890506 1.80193 -10.6056 23.5341 -10.6055 -24.2173 GPRESSAVG: 2110000 21.6907 -3.52845 23.6565 0.157076 2.07532 -10.693 22.0838 -9.08695 -23.9979 TIMING: 2110000 CPU: 6116.95, 0.00290369/step Wall: 6116.95, 0.00290369/step, 2.33102 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2110000 712.1942 2098.8033 1978.4993 113.8361 -206368.8044 17916.3227 0.0000 0.0000 33938.1728 -149610.9760 296.3905 -183549.1488 -149510.3505 297.9384 84.2618 117.7199 557531.1004 -0.1513 -0.0773 PRESSURE: 2110200 -13.3813 93.7529 146.991 93.753 -169.646 83.3084 146.991 83.3076 43.4973 GPRESSURE: 2110200 35.6651 100.479 206.489 107.963 -127.387 146.214 158.041 118.44 58.4186 PRESSAVG: 2110200 -15.5073 14.0006 59.0389 14.0006 7.37743 -9.22297 59.0389 -9.22295 -16.5986 GPRESSAVG: 2110200 -15.878 16.3791 58.5465 14.7006 7.94847 -10.6656 60.4287 -9.81479 -16.2184 TIMING: 2110200 CPU: 6117.53, 0.00289892/step Wall: 6117.53, 0.00289892/step, 2.32702 hours remaining, 210.042969 MB of memory in use. ENERGY: 2110200 754.1390 2068.0016 1963.4925 104.0405 -206496.3737 17704.9567 0.0000 0.0000 34185.8116 -149715.9318 298.5532 -183901.7434 -149618.2708 298.6845 -46.5099 -11.1010 556095.6065 -8.2428 -8.0493 PRESSURE: 2110400 -252.936 79.8642 -13.4607 79.8642 170.885 102.037 -13.4593 102.035 78.2802 GPRESSURE: 2110400 -220.158 32.5704 -4.83187 122.178 241.769 56.3894 -17.4999 75.4326 70.9154 PRESSAVG: 2110400 -38.1405 -20.0291 39.6773 -20.0292 38.4135 -43.0032 39.6773 -43.0031 21.5604 GPRESSAVG: 2110400 -37.512 -24.5557 41.0237 -20.2253 37.7927 -42.0284 39.2898 -41.7492 20.8901 TIMING: 2110400 CPU: 6118.11, 0.00289852/step Wall: 6118.11, 0.00289852/step, 2.32654 hours remaining, 210.042969 MB of memory in use. ENERGY: 2110400 711.1584 2088.4273 1956.8979 112.0474 -206480.7753 17931.4649 0.0000 0.0000 34010.2640 -149670.5154 297.0201 -183680.7794 -149573.8566 298.7574 -1.2570 30.8423 555674.9536 7.2778 7.0570 PRESSURE: 2110600 258.796 -47.555 126.717 -47.5557 -143.681 -165.04 126.718 -165.039 -342.239 GPRESSURE: 2110600 267.599 37.8818 135.788 -124.031 -116.321 -163.485 80.9657 -131.865 -284.915 PRESSAVG: 2110600 32.1096 13.3384 -7.75143 13.3384 15.5156 39.9376 -7.75142 39.9376 -38.1881 GPRESSAVG: 2110600 31.8633 16.6706 -8.90575 13.3364 15.8817 39.0761 -8.63758 39.0671 -38.7749 TIMING: 2110600 CPU: 6118.69, 0.00289758/step Wall: 6118.69, 0.00289758/step, 2.32563 hours remaining, 210.042969 MB of memory in use. ENERGY: 2110600 767.2125 2115.9282 1957.9983 127.9190 -206402.1331 17769.2688 0.0000 0.0000 34087.1358 -149576.6704 297.6914 -183663.8063 -149478.7104 298.3760 -75.7081 -44.5457 556898.0912 3.1457 2.9900 PRESSURE: 2110800 -111.194 -85.9878 23.9507 -85.9877 3.04179 -130.623 23.9504 -130.623 94.7503 GPRESSURE: 2110800 -79.5731 -59.5172 96.0177 -104.36 17.4975 -128.71 -7.85465 -205.945 147.683 PRESSAVG: 2110800 -28.9455 17.9989 16.5789 17.9989 58.8719 -50.23 16.5789 -50.2301 -30.773 GPRESSAVG: 2110800 -29.2787 20.336 16.3983 15.707 58.8695 -51.0992 16.3417 -50.8275 -30.5188 TIMING: 2110800 CPU: 6119.27, 0.00289325/step Wall: 6119.27, 0.00289325/step, 2.32199 hours remaining, 210.042969 MB of memory in use. ENERGY: 2110800 733.8011 2046.2772 1956.7380 115.5506 -206664.8665 17935.9489 0.0000 0.0000 34392.1749 -149484.3758 300.3554 -183876.5508 -149394.1279 298.9848 -4.4674 28.5358 557337.1989 -0.2822 -0.3094 PRESSURE: 2111000 -314.385 -78.905 32.5441 -78.9046 -250.663 -185.202 32.5447 -185.202 -3.54234 GPRESSURE: 2111000 -247.944 -24.4679 10.1463 -75.3655 -204.407 -200.998 82.3162 -178.115 -13.6679 PRESSAVG: 2111000 -24.1744 18.9737 76.1664 18.9737 0.0162522 -63.6768 76.1664 -63.6768 39.8233 GPRESSAVG: 2111000 -23.2356 15.8439 76.0375 20.2886 0.614983 -60.4156 79.5568 -63.8771 38.2086 TIMING: 2111000 CPU: 6119.85, 0.00288207/step Wall: 6119.85, 0.00288207/step, 2.31286 hours remaining, 210.042969 MB of memory in use. ENERGY: 2111000 791.2148 2083.4005 1956.4790 115.2486 -206096.0353 17742.2303 0.0000 0.0000 34082.3609 -149325.1012 297.6497 -183407.4620 -149233.8915 299.0726 -189.5302 -155.3398 557582.8872 5.2217 5.1960 PRESSURE: 2111200 44.6712 -43.2865 223.249 -43.2842 94.3925 11.0892 223.248 11.0909 -174.46 GPRESSURE: 2111200 46.889 -34.5357 169.69 -9.28169 171.978 -12.3724 254.65 73.8053 -153.816 PRESSAVG: 2111200 30.5967 -18.0127 33.8123 -18.0127 -11.7319 -36.7795 33.8123 -36.7795 -30.6423 GPRESSAVG: 2111200 30.0039 -17.561 32.3961 -18.2368 -12.758 -38.3362 32.8235 -36.7186 -29.2987 TIMING: 2111200 CPU: 6120.42, 0.00288207/step Wall: 6120.42, 0.00288207/step, 2.3127 hours remaining, 210.042969 MB of memory in use. ENERGY: 2111200 767.8440 2144.3617 1956.0676 113.1360 -206708.1284 18031.9513 0.0000 0.0000 34374.8881 -149319.8798 300.2044 -183694.7679 -149216.6165 298.9879 -11.7986 21.6833 556890.4575 -3.9258 -4.0176 PRESSURE: 2111400 -82.2342 -54.5525 -45.8781 -54.5522 -199.736 -133.194 -45.8783 -133.194 -174.576 GPRESSURE: 2111400 -62.085 -2.9827 -61.9952 26.2135 -121.838 -137.694 -20.8056 -87.6707 -167.894 PRESSAVG: 2111400 1.12987 -27.8893 2.96215 -27.8893 -46.9322 -89.7353 2.96213 -89.7353 38.8784 GPRESSAVG: 2111400 2.35223 -28.2305 5.53557 -26.5444 -47.0944 -88.6417 0.611265 -88.4403 37.9342 TIMING: 2111400 CPU: 6121.01, 0.00291685/step Wall: 6121.01, 0.00291685/step, 2.34045 hours remaining, 210.042969 MB of memory in use. ENERGY: 2111400 799.5198 2125.4430 1958.9383 105.4091 -205831.2063 17512.7727 0.0000 0.0000 34179.5650 -149149.5584 298.4986 -183329.1234 -149056.1720 299.3858 -152.1823 -117.2723 557618.9734 -2.3080 -2.2693 PRESSURE: 2111600 -87.4033 -92.3805 25.0171 -92.3813 -112.37 -19.4849 25.0179 -19.483 -145.072 GPRESSURE: 2111600 -17.128 -20.2613 15.789 -57.923 -150.926 -30.2966 60.2499 -104.868 -71.8627 PRESSAVG: 2111600 21.3025 -49.1598 8.69796 -49.1598 -7.99675 -71.5717 8.69795 -71.5717 21.2717 GPRESSAVG: 2111600 21.2304 -48.6254 7.4433 -50.2584 -7.49382 -72.5531 10.4563 -72.2164 21.122 TIMING: 2111600 CPU: 6121.58, 0.00287574/step Wall: 6121.58, 0.00287574/step, 2.3073 hours remaining, 210.042969 MB of memory in use. ENERGY: 2111600 760.7890 2081.8676 1962.0979 112.0285 -206072.8875 17656.6091 0.0000 0.0000 34251.2781 -149248.2173 299.1249 -183499.4954 -149154.4574 299.9396 -114.9485 -79.9720 556188.6834 11.5258 11.6195 PRESSURE: 2111800 -88.223 62.0848 132.044 62.085 19.3201 -45.7991 132.043 -45.7982 97.3283 GPRESSURE: 2111800 -49.0436 15.1494 62.2687 76.7934 69.2656 -38.5151 246.85 -74.2869 101 PRESSAVG: 2111800 -12.473 1.01876 48.8326 1.01877 -18.9452 1.56283 48.8326 1.56275 74.2605 GPRESSAVG: 2111800 -13.2081 3.30456 46.648 -1.04338 -18.3199 2.47352 49.8548 1.18995 73.9454 TIMING: 2111800 CPU: 6122.16, 0.00287317/step Wall: 6122.16, 0.00287317/step, 2.30508 hours remaining, 210.042969 MB of memory in use. ENERGY: 2111800 736.3293 2145.0294 1943.8622 108.7521 -206622.9483 17898.0458 0.0000 0.0000 34485.6941 -149305.2354 301.1721 -183790.9295 -149208.0132 300.2972 9.4751 40.4073 555726.0549 14.2807 14.1391 PRESSURE: 2112000 -170.636 96.2529 156.029 96.253 -25.3818 10.5759 156.03 10.5755 -103.156 GPRESSURE: 2112000 -103.926 37.1055 82.6582 37.947 -34.4133 66.2764 169.682 38.8137 -56.8772 PRESSAVG: 2112000 -0.675645 -34.8619 36.0153 -34.8618 22.2973 -41.7089 36.0153 -41.709 -7.41947 GPRESSAVG: 2112000 -0.743285 -38.7023 39.3247 -32.9443 21.6711 -38.9622 33.1691 -43.4715 -6.87698 TIMING: 2112000 CPU: 6122.74, 0.00292867/step Wall: 6122.74, 0.00292867/step, 2.34944 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2112000 751.2078 2086.9519 1925.5758 124.3395 -205967.0351 17499.9143 0.0000 0.0000 34428.7077 -149150.3380 300.6745 -183579.0457 -149048.4124 299.7169 -99.7246 -65.0720 556583.5076 4.7341 4.6836 PRESSURE: 2112200 148.586 -34.1998 -113.346 -34.2 -30.3592 -53.7951 -113.346 -53.7948 -72.6963 GPRESSURE: 2112200 147.842 -8.56499 -88.1008 -31.3197 24.162 -99.315 -80.1333 -4.92691 -39.0001 PRESSAVG: 2112200 -2.46508 -1.28534 35.8886 -1.28529 -3.30301 -28.5785 35.8886 -28.5784 -37.0052 GPRESSAVG: 2112200 -3.4596 -0.203169 34.7784 -0.800767 -1.59004 -31.4125 36.8972 -28.6143 -37.3664 TIMING: 2112200 CPU: 6123.32, 0.00289705/step Wall: 6123.32, 0.00289705/step, 2.32392 hours remaining, 210.042969 MB of memory in use. ENERGY: 2112200 756.1863 2077.5223 1960.2730 117.1426 -206291.7758 17985.7167 0.0000 0.0000 34202.7295 -149192.2053 298.7009 -183394.9347 -149096.0600 299.7188 15.1769 44.3346 555858.8189 -14.2578 -14.1387 LDB: ============= START OF LOAD BALANCING ============== 6126.71 LDB: ============== END OF LOAD BALANCING =============== 6126.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6126.71 LDB: ============= START OF LOAD BALANCING ============== 6127 LDB: Largest compute 4794 load 0.021876 is 18.5% of average load 0.117961 LDB: Average compute 0.001744 is 1.5% of average load 0.117961 LDB: TIME 6127 LOAD: AVG 0.117961 MAX 0.179064 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.031 MB LDB: TIME 6127 LOAD: AVG 0.117961 MAX 0.179064 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: TIME 6127 LOAD: AVG 0.117961 MAX 0.179064 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: ============== END OF LOAD BALANCING =============== 6127 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6127.01 PRESSURE: 2112400 -186.341 21.8696 41.518 21.8697 -270.881 47.7017 41.5184 47.7011 -27.8084 GPRESSURE: 2112400 -203.829 -44.2298 52.2726 -8.41184 -246.591 -16.4493 -62.0856 112.614 58.8098 PRESSAVG: 2112400 -20.5724 -19.3039 -18.4224 -19.304 13.2553 -18.3078 -18.4223 -18.3078 -11.0909 GPRESSAVG: 2112400 -19.9226 -18.6531 -16.8504 -20.3563 12.8947 -18.7181 -19.8646 -16.089 -11.0588 TIMING: 2112400 CPU: 6123.91, 0.00294731/step Wall: 6123.91, 0.00294731/step, 2.36407 hours remaining, 210.015625 MB of memory in use. ENERGY: 2112400 757.1018 2131.0831 1936.1252 118.6907 -206070.2560 17555.5294 0.0000 0.0000 34218.3778 -149353.3479 298.8376 -183571.7258 -149256.5392 299.3861 -161.6769 -130.5367 557886.9464 -6.1360 -6.0289 PRESSURE: 2112600 -75.5604 28.2278 5.07425 28.2265 -371.343 119.742 5.07461 119.743 -241.301 GPRESSURE: 2112600 -30.0049 39.8128 -72.9971 -11.7627 -322.33 133.052 -68.6944 60.3382 -232.977 PRESSAVG: 2112600 30.6238 3.28394 -6.5665 3.28388 -5.58114 20.0075 -6.56655 20.0075 8.33402 GPRESSAVG: 2112600 30.2263 1.66697 -7.45929 3.75026 -5.13215 20.8007 -5.36647 19.6868 8.3794 TIMING: 2112600 CPU: 6124.49, 0.00289282/step Wall: 6124.49, 0.00289282/step, 2.3202 hours remaining, 210.015625 MB of memory in use. ENERGY: 2112600 742.6959 2108.5163 1956.0484 106.0995 -205919.6546 17484.9762 0.0000 0.0000 34090.8034 -149430.5148 297.7235 -183521.3182 -149333.9778 299.6062 -229.4015 -195.1040 558435.8067 11.1256 11.1579 PRESSURE: 2112800 -88.5666 -10.3203 59.2598 -10.3199 139.867 42.4441 59.2607 42.4432 -160.601 GPRESSURE: 2112800 -20.7879 -104.063 36.6914 8.08921 115.526 18.1836 60.1316 17.3982 -96.3389 PRESSAVG: 2112800 -23.1593 12.339 -10.9088 12.339 13.9187 21.638 -10.9088 21.6379 -16.104 GPRESSAVG: 2112800 -22.1883 13.8693 -11.5725 11.7107 11.7664 20.8518 -9.67816 23.1758 -15.4592 TIMING: 2112800 CPU: 6125.06, 0.00286109/step Wall: 6125.06, 0.00286109/step, 2.29459 hours remaining, 210.015625 MB of memory in use. ENERGY: 2112800 733.4463 2081.7739 1944.8697 114.6666 -206465.2964 17978.9032 0.0000 0.0000 34036.9404 -149574.6964 297.2531 -183611.6367 -149480.8552 298.7593 -36.4333 -0.5335 558084.7033 -8.4482 -8.6270 PRESSURE: 2113000 -149.299 43.0786 -182.641 43.0781 -204.114 72.4359 -182.64 72.4362 -163.536 GPRESSURE: 2113000 -103.445 44.019 -178.711 47.8685 -179.908 65.222 -213.105 99.2446 -133.006 PRESSAVG: 2113000 57.2674 1.68874 26.8928 1.68878 21.5653 37.0387 26.8927 37.0387 -98.2066 GPRESSAVG: 2113000 56.2272 1.0348 26.2781 1.44916 22.7933 39.2029 25.4668 35.0239 -98.2214 TIMING: 2113000 CPU: 6125.64, 0.00288962/step Wall: 6125.64, 0.00288962/step, 2.31732 hours remaining, 210.312500 MB of memory in use. ENERGY: 2113000 780.8981 2015.8483 1965.0655 108.3905 -206046.6370 17630.0397 0.0000 0.0000 34030.6042 -149515.7907 297.1977 -183546.3949 -149421.6850 297.6741 -172.3163 -138.7863 557358.8652 -6.4580 -6.4003 PRESSURE: 2113200 -214.329 33.6871 -38.4911 33.6882 25.2851 -24.9796 -38.4911 -24.9798 -21.6698 GPRESSURE: 2113200 -171.46 32.2565 47.1536 -25.325 5.08798 -25.3771 -88.1737 -74.6935 50.3591 PRESSAVG: 2113200 5.43225 -10.1835 -2.68854 -10.1836 37.0713 -29.4698 -2.68851 -29.4699 -4.51332 GPRESSAVG: 2113200 5.50618 -8.80043 -2.1829 -11.1184 36.9883 -30.8214 -2.1363 -27.5787 -4.63622 TIMING: 2113200 CPU: 6126.22, 0.00289257/step Wall: 6126.22, 0.00289257/step, 2.31952 hours remaining, 210.312500 MB of memory in use. ENERGY: 2113200 750.6808 2069.5972 1947.4731 111.3137 -206149.9831 17606.7786 0.0000 0.0000 34143.3447 -149520.7950 298.1823 -183664.1397 -149429.5297 298.4454 -70.2379 -38.6708 556977.9949 12.6634 12.6194 PRESSURE: 2113400 19.3305 -129.193 -138.872 -129.194 -55.9657 37.1916 -138.872 37.1914 -218.763 GPRESSURE: 2113400 68.6262 -67.2224 -100.209 -136.665 -79.0631 19.9886 -120.517 48.1074 -158.415 PRESSAVG: 2113400 8.03537 33.5662 8.2572 33.5662 40.3339 11.3869 8.25733 11.387 -30.1057 GPRESSAVG: 2113400 8.16118 33.3069 8.99125 35.0598 40.0814 13.4447 7.82904 10.5389 -29.7302 TIMING: 2113400 CPU: 6126.8, 0.00289856/step Wall: 6126.8, 0.00289856/step, 2.32416 hours remaining, 210.312500 MB of memory in use. ENERGY: 2113400 770.3800 2059.0013 1959.8235 107.1001 -206436.0354 17888.6626 0.0000 0.0000 34152.3965 -149498.6713 298.2614 -183651.0679 -149397.1709 298.9540 -85.1327 -56.2840 557500.6101 6.0879 6.1708 PRESSURE: 2113600 -167.537 -94.9723 -86.5279 -94.9725 -68.2443 -76.2162 -86.5269 -76.2178 -141.859 GPRESSURE: 2113600 -155.925 -79.2969 -87.1389 -91.6653 -58.9636 -86.1261 -181.034 -136.566 -67.5359 PRESSAVG: 2113600 -7.88222 55.8435 -2.08332 55.8434 -37.2878 -17.6313 -2.08333 -17.6313 15.5063 GPRESSAVG: 2113600 -8.00369 51.2823 -2.22669 58.304 -36.819 -21.3722 -2.04735 -19.1566 15.0739 TIMING: 2113600 CPU: 6127.37, 0.00288607/step Wall: 6127.37, 0.00288607/step, 2.31399 hours remaining, 210.312500 MB of memory in use. ENERGY: 2113600 768.2514 2107.8515 1928.6443 116.0377 -206386.5258 17642.0750 0.0000 0.0000 34257.3321 -149566.3339 299.1778 -183823.6660 -149471.8913 298.2633 -125.8801 -94.1416 556089.1357 -9.8879 -9.9162 PRESSURE: 2113800 -41.3659 51.8401 106.917 51.8404 254.149 3.84091 106.916 3.83957 -322.617 GPRESSURE: 2113800 4.6335 -43.9496 170.111 161.672 284.606 42.5657 45.3298 -20.401 -301.188 PRESSAVG: 2113800 -63.1552 12.8447 -1.2383 12.8447 21.044 6.25808 -1.23836 6.25802 19.0075 GPRESSAVG: 2113800 -63.4783 14.9989 -1.75189 12.1049 22.2829 9.24977 -0.866227 4.61494 18.0354 TIMING: 2113800 CPU: 6127.95, 0.00289228/step Wall: 6127.95, 0.00289228/step, 2.31881 hours remaining, 210.312500 MB of memory in use. ENERGY: 2113800 749.8630 2111.2753 1928.2498 109.3501 -206337.9747 17749.5160 0.0000 0.0000 34142.5245 -149547.1960 298.1752 -183689.7204 -149450.8586 298.4651 -36.6111 -3.9830 555957.7977 -7.7012 -7.7200 PRESSURE: 2114000 213.303 1.20562 29.1622 1.20585 -52.1656 44.7543 29.1614 44.755 50.4596 GPRESSURE: 2114000 218.888 -33.3492 -15.4518 42.2142 14.5263 42.5712 59.4216 56.1128 69.4955 PRESSAVG: 2114000 -47.366 -14.5814 -21.076 -14.5813 15.3226 59.8469 -21.076 59.847 30.7813 GPRESSAVG: 2114000 -47.2898 -14.7638 -21.2084 -14.4812 14.3486 59.0848 -19.4111 63.1923 31.3029 TIMING: 2114000 CPU: 6128.53, 0.00290695/step Wall: 6128.53, 0.00290695/step, 2.3304 hours remaining, 210.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2114000 700.3506 2126.8583 1923.7059 109.2426 -206141.4288 17651.7961 0.0000 0.0000 34031.3912 -149598.0841 297.2046 -183629.4753 -149497.8863 297.8112 70.5322 100.9699 554933.8079 -0.4207 -0.5461 PRESSURE: 2114200 45.525 150.007 76.3675 150.007 1.63323 -63.8077 76.3683 -63.8075 -117.15 GPRESSURE: 2114200 77.9724 173.574 142.549 138.26 14.6929 -75.7574 27.6953 -114.079 -69.0128 PRESSAVG: 2114200 -6.64408 -3.03268 3.57378 -3.03275 15.8971 21.6759 3.5737 21.6759 -26.7008 GPRESSAVG: 2114200 -7.16934 -1.83349 1.12041 -5.01062 16.5372 22.5804 3.24815 20.3753 -27.0997 TIMING: 2114200 CPU: 6129.11, 0.00286938/step Wall: 6129.11, 0.00286938/step, 2.30013 hours remaining, 210.312500 MB of memory in use. ENERGY: 2114200 774.1605 2083.5371 1954.5772 115.6799 -206058.3191 17731.0431 0.0000 0.0000 34060.0137 -149339.3075 297.4546 -183399.3212 -149248.7051 298.8062 -23.3306 7.8842 556987.0992 -5.8159 -5.9106 PRESSURE: 2114400 40.21 -162.567 -5.21013 -162.567 -229.532 150.65 -5.20899 150.652 49.1818 GPRESSURE: 2114400 33.1397 -158.493 -88.0163 -168.01 -146.695 154.752 45.1433 80.6313 81.3538 PRESSAVG: 2114400 3.6824 -10.7507 12.9611 -10.7507 -4.90245 -18.9173 12.9611 -18.9174 -14.6477 GPRESSAVG: 2114400 4.19092 -11.5141 14.7321 -10.4689 -6.10705 -18.448 12.2691 -19.6609 -13.6043 TIMING: 2114400 CPU: 6129.68, 0.00287951/step Wall: 6129.68, 0.00287951/step, 2.30809 hours remaining, 210.312500 MB of memory in use. ENERGY: 2114400 734.9277 2091.1080 1938.6573 114.4462 -206006.6822 17627.5722 0.0000 0.0000 34097.2999 -149402.6708 297.7802 -183499.9707 -149307.5771 298.6563 -46.7135 -10.7339 556806.3223 -5.2893 -5.1735 PRESSURE: 2114600 -81.8495 133.7 -134.493 133.701 -205.539 1.80918 -134.493 1.80951 -178.152 GPRESSURE: 2114600 -68.3851 102.692 -118.404 84.6921 -149.392 19.0772 -81.1819 -43.8316 -145.66 PRESSAVG: 2114600 21.0561 12.2365 -24.6151 12.2364 -20.0568 36.6825 -24.6151 36.6826 -22.5151 GPRESSAVG: 2114600 20.4812 11.1969 -24.7612 13.1525 -20.0913 35.9558 -25.6945 37.89 -21.5423 TIMING: 2114600 CPU: 6130.26, 0.00290057/step Wall: 6130.26, 0.00290057/step, 2.32481 hours remaining, 210.312500 MB of memory in use. ENERGY: 2114600 804.7308 2015.1570 1949.0473 119.7161 -206295.8329 17938.3392 0.0000 0.0000 34072.3700 -149396.4725 297.5625 -183468.8425 -149295.6349 299.0450 -155.1801 -121.1458 558901.5056 -7.1719 -7.0508 PRESSURE: 2114800 143.2 63.8665 -38.8989 63.8652 2.78503 47.9822 -38.8993 47.9834 65.6203 GPRESSURE: 2114800 102.895 116.905 -14.8279 84.3615 79.8707 137.607 -24.7766 55.5358 132.308 PRESSAVG: 2114800 8.80776 5.424 -19.5157 5.42392 54.595 5.06173 -19.5158 5.06179 -26.0501 GPRESSAVG: 2114800 9.06836 6.43478 -17.7776 4.66581 55.5553 4.45019 -19.2295 5.47386 -26.9413 TIMING: 2114800 CPU: 6130.84, 0.00288158/step Wall: 6130.84, 0.00288158/step, 2.30942 hours remaining, 210.312500 MB of memory in use. ENERGY: 2114800 768.0949 2078.9668 1926.2690 118.2060 -206219.2946 17855.9812 0.0000 0.0000 34059.5403 -149412.2365 297.4504 -183471.7768 -149321.5690 298.5921 70.5352 105.0247 556609.0576 12.4509 12.5608 PRESSURE: 2115000 288.114 7.65632 -42.5266 7.65717 49.3664 131.304 -42.5261 131.306 66.7923 GPRESSURE: 2115000 301.43 44.4042 -44.0134 21.5502 56.3903 148.913 9.03739 80.5513 140.116 PRESSAVG: 2115000 14.3346 27.8448 -28.2933 27.8449 25.8735 1.83772 -28.2934 1.83772 -62.3806 GPRESSAVG: 2115000 13.5658 29.8424 -29.7076 25.6205 25.09 3.75216 -26.1568 2.13764 -61.3907 TIMING: 2115000 CPU: 6131.41, 0.00287021/step Wall: 6131.41, 0.00287021/step, 2.30015 hours remaining, 210.312500 MB of memory in use. ENERGY: 2115000 742.2034 2045.5885 1971.0374 110.7030 -206422.7573 17951.9581 0.0000 0.0000 34399.2224 -149202.0446 300.4170 -183601.2670 -149106.2293 299.6403 134.7575 165.9787 556160.0763 -7.3908 -7.5783 PRESSURE: 2115200 90.7096 16.3931 -104.562 16.3931 240.645 -19.5348 -104.563 -19.5333 48.0835 GPRESSURE: 2115200 107.338 4.34697 -54.0777 64.5669 268.691 -54.9321 -172.058 -0.638286 106.527 PRESSAVG: 2115200 35.1093 68.9685 -25.545 68.9685 52.6751 16.4266 -25.5449 16.4266 -49.0574 GPRESSAVG: 2115200 35.3705 65.6244 -25.5475 71.5962 51.7162 14.7056 -27.7528 17.2115 -48.3138 TIMING: 2115200 CPU: 6131.99, 0.00288347/step Wall: 6131.99, 0.00288347/step, 2.31062 hours remaining, 210.312500 MB of memory in use. ENERGY: 2115200 788.1861 2046.6069 1944.7064 122.5087 -206099.9783 17966.0871 0.0000 0.0000 34149.9849 -149081.8981 298.2403 -183231.8830 -148985.1912 300.1630 126.4792 160.8517 557367.5937 12.9090 12.9243 PRESSURE: 2115400 265.763 23.4004 -48.3358 23.4011 91.9828 129.075 -48.336 129.077 -9.35522 GPRESSURE: 2115400 315.499 62.1107 -78.5721 68.7689 114.16 155.335 -87.674 179.028 19.3238 PRESSAVG: 2115400 -49.7262 29.4078 13.377 29.4077 -17.9132 -11.0467 13.377 -11.0467 53.0071 GPRESSAVG: 2115400 -48.7329 30.013 12.7054 30.7485 -16.6377 -14.0828 14.3783 -10.5656 50.9852 TIMING: 2115400 CPU: 6132.57, 0.00288054/step Wall: 6132.57, 0.00288054/step, 2.30811 hours remaining, 210.312500 MB of memory in use. ENERGY: 2115400 774.2684 2068.5849 1925.1532 109.8798 -206623.4714 18132.4984 0.0000 0.0000 34419.2844 -149193.8023 300.5922 -183613.0867 -149096.5950 299.7933 116.1303 149.6612 556562.6403 -4.8775 -4.7951 PRESSURE: 2115600 -346.235 164.274 37.1542 164.276 -84.8067 25.6036 37.1528 25.6051 -14.192 GPRESSURE: 2115600 -319.838 205.722 -29.0727 150.176 -85.1228 59.1419 56.2025 44.7681 58.0391 PRESSAVG: 2115600 40.6158 40.7143 -35.4151 40.7143 -17.7815 -10.8555 -35.4151 -10.8555 -1.82608 GPRESSAVG: 2115600 41.1361 41.1976 -35.3003 37.6288 -18.6468 -8.38431 -35.0721 -12.1 -1.68492 TIMING: 2115600 CPU: 6133.14, 0.00287869/step Wall: 6133.14, 0.00287869/step, 2.30647 hours remaining, 210.312500 MB of memory in use. ENERGY: 2115600 741.0034 2078.9654 1967.9784 121.9947 -205732.8287 17570.8142 0.0000 0.0000 34197.5965 -149054.4761 298.6561 -183252.0726 -148952.8611 299.0486 -148.4113 -115.6406 557710.3711 7.0027 6.9348 PRESSURE: 2115800 -61.9529 -103.834 0.139856 -103.836 -90.9143 -124.598 0.138187 -124.596 -129.428 GPRESSURE: 2115800 11.5432 -99.8861 15.5508 -108.957 -112.997 -149.941 -31.2191 -164.451 -80.8967 PRESSAVG: 2115800 39.7096 15.8764 -20.7336 15.8764 -22.0683 2.02823 -20.7335 2.02818 -11.2883 GPRESSAVG: 2115800 39.1041 17.1939 -20.0159 17.0991 -21.2655 2.70376 -19.7905 3.84915 -11.6244 TIMING: 2115800 CPU: 6133.72, 0.00287431/step Wall: 6133.72, 0.00287431/step, 2.3028 hours remaining, 210.312500 MB of memory in use. ENERGY: 2115800 744.4934 2155.1051 1958.1592 100.6534 -206006.5375 17624.9660 0.0000 0.0000 34464.5648 -148958.5955 300.9876 -183423.1603 -148859.9680 300.1943 -94.0983 -60.7836 557522.5003 2.1177 2.0714 PRESSURE: 2116000 -40.0371 -269.872 -73.3208 -269.873 -107.903 -14.9919 -73.3222 -14.9905 -105.334 GPRESSURE: 2116000 36.2719 -249.274 -9.00867 -322.642 -88.4634 -32.3046 -126.562 -25.5603 -108.113 PRESSAVG: 2116000 -26.587 -32.2161 -1.90907 -32.2161 1.96069 28.9416 -1.90905 28.9416 -21.6367 GPRESSAVG: 2116000 -26.3124 -35.0198 -1.85719 -32.3099 1.9603 28.2377 -3.13113 26.5207 -21.8236 TIMING: 2116000 CPU: 6134.29, 0.00287359/step Wall: 6134.29, 0.00287359/step, 2.30207 hours remaining, 210.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2116000 771.2082 2111.4508 1943.3397 112.2938 -205908.7095 17578.0323 0.0000 0.0000 34530.0324 -148862.3524 301.5594 -183392.3847 -148761.8946 300.8536 -84.4247 -53.4349 556498.0793 -15.4210 -15.3919 PRESSURE: 2116200 -68.0007 -98.3081 40.4614 -98.3089 20.4831 -183.248 40.4622 -183.249 -117.407 GPRESSURE: 2116200 2.83393 -231.95 75.2121 -113.511 45.6474 -107.52 44.8505 -136.288 -117.444 PRESSAVG: 2116200 84.9256 -47.0588 5.48095 -47.0588 -43.5651 -35.9838 5.48083 -35.9838 -60.4678 GPRESSAVG: 2116200 85.7198 -46.7881 5.9085 -48.6754 -44.2771 -37.4192 6.84149 -34.1313 -60.7118 TIMING: 2116200 CPU: 6134.87, 0.00289555/step Wall: 6134.87, 0.00289555/step, 2.31949 hours remaining, 210.312500 MB of memory in use. ENERGY: 2116200 775.8699 2072.1334 1963.5163 113.4359 -205588.1495 17614.4616 0.0000 0.0000 34141.0834 -148907.6490 298.1626 -183048.7324 -148811.6831 300.2136 -54.9750 -22.9875 557054.7747 -6.3691 -6.4230 LDB: ============= START OF LOAD BALANCING ============== 6138.26 LDB: ============== END OF LOAD BALANCING =============== 6138.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6138.26 LDB: ============= START OF LOAD BALANCING ============== 6138.55 LDB: Largest compute 4794 load 0.023666 is 20.1% of average load 0.117989 LDB: Average compute 0.001739 is 1.5% of average load 0.117989 LDB: TIME 6138.55 LOAD: AVG 0.117989 MAX 0.179657 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.66 MB LDB: TIME 6138.55 LOAD: AVG 0.117989 MAX 0.179657 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.906 MB LDB: TIME 6138.55 LOAD: AVG 0.117989 MAX 0.179657 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.906 MB LDB: ============== END OF LOAD BALANCING =============== 6138.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6138.56 PRESSURE: 2116400 20.7244 206.148 -34.0085 206.147 38.579 -143.315 -34.0075 -143.315 186.28 GPRESSURE: 2116400 60.6777 174.466 -52.1706 177.7 87.6073 -142.405 12.6332 -167.145 204.975 PRESSAVG: 2116400 -28.5301 -15.3027 29.505 -15.3027 18.5775 -110.352 29.5051 -110.352 35.1168 GPRESSAVG: 2116400 -30.1662 -15.5622 28.4715 -13.2748 21.0098 -108.647 29.7462 -111.91 34.2569 TIMING: 2116400 CPU: 6135.46, 0.00295856/step Wall: 6135.46, 0.00295856/step, 2.36981 hours remaining, 208.410156 MB of memory in use. ENERGY: 2116400 762.4335 2089.6598 1965.8969 116.5852 -206069.1449 17755.1579 0.0000 0.0000 34217.7633 -149161.6482 298.8322 -183379.4115 -149069.1042 300.2224 81.8611 117.7532 555777.9585 8.3881 8.3669 PRESSURE: 2116600 120.547 98.8926 29.673 98.8931 16.7519 -63.1889 29.6725 -63.1899 -144.237 GPRESSURE: 2116600 168.143 74.596 67.8301 171.581 13.0217 -98.0664 38.9181 -22.4832 -90.9797 PRESSAVG: 2116600 45.5137 10.4953 -32.8287 10.4954 -28.0986 -36.9912 -32.8286 -36.9911 -18.376 GPRESSAVG: 2116600 45.7729 12.0909 -30.3353 9.613 -30.3276 -38.9149 -32.9077 -35.5246 -16.536 TIMING: 2116600 CPU: 6136.05, 0.00292069/step Wall: 6136.05, 0.00292069/step, 2.33931 hours remaining, 208.449219 MB of memory in use. ENERGY: 2116600 750.1004 2069.3968 1950.5375 110.6066 -205865.8936 17656.0472 0.0000 0.0000 34192.6153 -149136.5899 298.6126 -183329.2051 -149042.2753 299.3085 -2.3128 30.0618 555883.4342 -0.3203 -0.3635 PRESSURE: 2116800 75.7626 155.322 -28.6889 155.323 6.57032 32.3083 -28.6889 32.309 10.3547 GPRESSURE: 2116800 140.015 165.122 -132.654 153.85 5.17871 65.464 -10.7983 58.7806 60.9012 PRESSAVG: 2116800 115.403 -6.33873 -17.6766 -6.3387 -31.7708 25.4859 -17.6766 25.4859 -73.6495 GPRESSAVG: 2116800 114.854 -6.98795 -18.2524 -5.93328 -31.3633 25.2698 -19.4598 24.3043 -73.8705 TIMING: 2116800 CPU: 6136.63, 0.00289763/step Wall: 6136.63, 0.00289763/step, 2.32068 hours remaining, 208.582031 MB of memory in use. ENERGY: 2116800 749.1046 2098.3270 1945.1346 109.2750 -206122.3426 17846.2469 0.0000 0.0000 34208.2749 -149165.9796 298.7494 -183374.2545 -149068.6885 299.3982 30.8959 68.6984 556143.0177 3.3277 3.2066 PRESSURE: 2117000 27.0182 -44.8533 -99.2826 -44.8528 -124.84 51.4743 -99.2832 51.4745 -100.794 GPRESSURE: 2117000 60.0571 -7.06926 -122.258 -64.1498 -118.942 2.14011 -85.0214 134.853 -40.6609 PRESSAVG: 2117000 -14.4237 -12.1582 36.6215 -12.1582 60.4943 -64.8971 36.6216 -64.8971 -26.5639 GPRESSAVG: 2117000 -13.7488 -10.7735 33.0271 -13.2737 59.4112 -62.6315 38.0958 -66.9502 -25.7809 TIMING: 2117000 CPU: 6137.21, 0.00289612/step Wall: 6137.21, 0.00289612/step, 2.31931 hours remaining, 208.582031 MB of memory in use. ENERGY: 2117000 718.3587 2155.5425 1967.7910 106.3421 -205925.7733 17724.4498 0.0000 0.0000 34037.7894 -149215.4998 297.2605 -183253.2892 -149128.0976 299.2391 -66.2054 -33.1819 557474.5286 6.5022 6.6272 PRESSURE: 2117200 -183.829 16.952 86.3452 16.9513 -175.519 -131.395 86.3443 -131.396 -100.24 GPRESSURE: 2117200 -138.356 -50.5521 84.6905 81.1922 -140.701 -58.6957 119.681 -114.903 -64.9163 PRESSAVG: 2117200 31.1816 -40.9062 36.3299 -40.9063 -39.1128 -20.4667 36.3299 -20.4667 -4.35159 GPRESSAVG: 2117200 33.0154 -41.5489 38.8424 -40.0716 -37.0205 -21.8448 35.0142 -19.0212 -7.75485 TIMING: 2117200 CPU: 6137.79, 0.00290155/step Wall: 6137.79, 0.00290155/step, 2.32349 hours remaining, 208.582031 MB of memory in use. ENERGY: 2117200 732.3576 2121.1326 1957.1343 117.1185 -205834.2171 17468.5308 0.0000 0.0000 34218.1084 -149219.8349 298.8353 -183437.9432 -149124.5996 299.2456 -153.1958 -114.6576 558514.3074 -4.0943 -3.9200 PRESSURE: 2117400 -69.0805 7.57698 75.3762 7.57755 39.5686 77.8702 75.3764 77.8697 -117.482 GPRESSURE: 2117400 -18.9129 -14.5598 -10.8011 126.65 2.40157 -33.0711 161.517 140.558 -30.4635 PRESSAVG: 2117400 -31.9661 19.8931 -18.255 19.893 95.6942 -19.955 -18.2551 -19.9549 -21.7201 GPRESSAVG: 2117400 -33.9762 20.2051 -18.3318 21.2707 95.4622 -21.9846 -17.2044 -16.9145 -19.6869 TIMING: 2117400 CPU: 6138.37, 0.00292057/step Wall: 6138.37, 0.00292057/step, 2.33857 hours remaining, 208.582031 MB of memory in use. ENERGY: 2117400 740.2349 2100.0488 1948.4863 113.1223 -206397.9941 17877.1835 0.0000 0.0000 34249.1740 -149369.7443 299.1066 -183618.9183 -149273.1004 299.4034 -48.9978 -15.6583 557931.8019 14.0027 13.9330 PRESSURE: 2117600 -231.796 38.1422 -35.5834 38.1418 -262.407 161.475 -35.5833 161.475 -237 GPRESSURE: 2117600 -153.937 8.27304 -85.614 163.298 -251.904 97.2605 -60.8952 129.299 -225.277 PRESSAVG: 2117600 15.9676 -31.4989 3.00763 -31.4989 19.0078 -42.7664 3.00758 -42.7664 -12.5646 GPRESSAVG: 2117600 15.4131 -31.6068 3.37432 -31.7705 19.7579 -41.2301 1.26587 -44.8045 -13.2071 TIMING: 2117600 CPU: 6138.95, 0.00287546/step Wall: 6138.95, 0.00287546/step, 2.30229 hours remaining, 208.582031 MB of memory in use. ENERGY: 2117600 741.9524 2091.9783 1947.4586 116.3479 -206127.3759 17631.4490 0.0000 0.0000 34173.7272 -149424.4624 298.4477 -183598.1896 -149327.2421 299.0584 -243.7343 -210.3727 558054.9079 7.4703 7.3213 PRESSURE: 2117800 82.6225 -48.1858 156.63 -48.1847 -198.835 103.309 156.63 103.309 -85.7395 GPRESSURE: 2117800 114.118 -35.0971 106.666 20.6925 -117.441 90.4082 171.954 76.4296 -101.993 PRESSAVG: 2117800 47.2978 -35.5357 3.54588 -35.5356 -19.3435 -24.884 3.54587 -24.884 -27.4296 GPRESSAVG: 2117800 46.9913 -35.9431 5.65005 -35.7864 -18.7795 -24.5628 4.89505 -27.4979 -27.3967 TIMING: 2117800 CPU: 6139.53, 0.00289966/step Wall: 6139.53, 0.00289966/step, 2.3215 hours remaining, 208.582031 MB of memory in use. ENERGY: 2117800 756.4153 2095.6079 1955.1872 127.1593 -206318.6577 17769.8681 0.0000 0.0000 34197.8353 -149416.5847 298.6582 -183614.4200 -149318.6376 298.8976 -67.3172 -35.1057 557556.6698 0.1749 0.2717 PRESSURE: 2118000 62.6175 -60.4601 42.7233 -60.4616 -257.828 -263.715 42.7227 -263.715 -245.68 GPRESSURE: 2118000 41.9645 -97.8219 89.505 -90.1965 -187.529 -113.691 72.4987 -351.661 -199.088 PRESSAVG: 2118000 -40.1377 -4.08398 5.01539 -4.0841 24.115 -37.9626 5.01541 -37.9625 21.6792 GPRESSAVG: 2118000 -40.0526 -2.58969 2.20871 -3.76113 23.2944 -36.5639 5.30858 -38.6327 22.6565 TIMING: 2118000 CPU: 6140.11, 0.0028966/step Wall: 6140.11, 0.0028966/step, 2.31889 hours remaining, 208.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2118000 791.5454 2071.3923 1978.8184 110.8235 -206105.7823 17681.7598 0.0000 0.0000 34093.0911 -149378.3517 297.7434 -183471.4428 -149283.0508 298.8586 -146.9635 -114.8844 557822.6077 1.8855 1.9661 PRESSURE: 2118200 -98.3279 -43.0326 -109.436 -43.0324 -90.0862 -82.129 -109.436 -82.1306 -477.384 GPRESSURE: 2118200 -100.005 -44.1292 -145.608 -55.1487 -106.471 -159.266 -102.505 -119.276 -388.041 PRESSAVG: 2118200 3.84716 22.6947 -11.4779 22.6947 -37.775 -32.9203 -11.4778 -32.9203 28.3224 GPRESSAVG: 2118200 4.89996 22.5234 -9.5737 22.3993 -38.5941 -34.1102 -11.9765 -32.1892 28.7391 TIMING: 2118200 CPU: 6140.69, 0.00291824/step Wall: 6140.69, 0.00291824/step, 2.33605 hours remaining, 208.582031 MB of memory in use. ENERGY: 2118200 768.1688 2006.8144 1952.5589 121.4277 -205759.2818 17477.9729 0.0000 0.0000 34080.6304 -149351.7087 297.6346 -183432.3391 -149253.0656 298.5310 -221.9327 -198.1724 558237.0522 -1.8685 -1.6517 PRESSURE: 2118400 -47.6419 -221.84 54.7585 -221.841 59.1346 -60.4607 54.7594 -60.46 -337.639 GPRESSURE: 2118400 -2.1385 -133.794 162.057 -297.296 94.1527 -45.1481 -45.9462 -43.242 -307.994 PRESSAVG: 2118400 -60.8908 -33.0548 7.61001 -33.0547 12.6261 -1.91178 7.61004 -1.91177 34.2884 GPRESSAVG: 2118400 -59.8919 -35.7595 4.43472 -32.5654 12.8171 -3.74969 9.06626 0.655106 32.9397 TIMING: 2118400 CPU: 6141.26, 0.0028754/step Wall: 6141.26, 0.0028754/step, 2.3016 hours remaining, 208.582031 MB of memory in use. ENERGY: 2118400 745.9884 2054.4519 1952.3762 124.8497 -205836.8865 17653.2485 0.0000 0.0000 34206.3141 -149099.6576 298.7322 -183305.9718 -149005.3729 298.4843 -108.7155 -71.9931 557644.7038 -4.6587 -4.7117 PRESSURE: 2118600 -32.0139 -42.7014 -125.303 -42.7031 9.40173 26.0245 -125.303 26.0241 -43.2633 GPRESSURE: 2118600 -5.85938 -12.5135 -46.9979 11.3734 38.3947 12.8655 -92.9272 35.7597 -8.7825 PRESSAVG: 2118600 15.6688 2.68121 12.049 2.68117 -14.6436 20.0405 12.0489 20.0405 5.24785 GPRESSAVG: 2118600 15.6467 1.80257 16.1419 1.97286 -14.9727 21.9347 10.2446 18.8059 5.35273 TIMING: 2118600 CPU: 6141.84, 0.00288509/step Wall: 6141.84, 0.00288509/step, 2.30919 hours remaining, 208.582031 MB of memory in use. ENERGY: 2118600 735.5976 2091.1990 1952.5528 108.6502 -205837.4192 17696.0043 0.0000 0.0000 34261.6434 -148991.7719 299.2155 -183253.4153 -148894.4239 299.6031 -21.9585 7.9176 558020.7783 2.0910 2.0089 PRESSURE: 2118800 165.729 -117.95 70.8089 -117.951 -28.3564 44.2133 70.8085 44.214 -187.916 GPRESSURE: 2118800 172.409 -192.074 198.683 -50.2308 7.90307 90.5505 -20.1643 61.869 -121.786 PRESSAVG: 2118800 -4.91294 -20.5218 8.05172 -20.522 -27.6535 28.695 8.05169 28.695 14.9913 GPRESSAVG: 2118800 -4.97055 -18.7822 8.02666 -19.404 -27.4949 27.4759 8.5243 29.7062 14.9176 TIMING: 2118800 CPU: 6142.42, 0.00287466/step Wall: 6142.42, 0.00287466/step, 2.30069 hours remaining, 208.582031 MB of memory in use. ENERGY: 2118800 756.4591 2091.4032 1944.0502 118.2556 -206077.2985 17831.3122 0.0000 0.0000 34181.8266 -149153.9916 298.5184 -183335.8182 -149058.6219 299.5727 -16.8477 19.5088 557203.2158 -5.8584 -5.8493 PRESSURE: 2119000 87.8856 -20.5239 187.957 -20.5231 -166.429 116.138 187.956 116.14 -133.637 GPRESSURE: 2119000 95.0637 3.45769 188.084 -25.3394 -111.067 100.938 148.98 109.392 -98.7064 PRESSAVG: 2119000 22.1985 -10.6626 29.0548 -10.6626 -19.4724 22.6294 29.0548 22.6294 -25.497 GPRESSAVG: 2119000 21.8741 -9.92578 26.3976 -11.9131 -19.128 22.2105 30.4691 23.0539 -25.6617 TIMING: 2119000 CPU: 6142.99, 0.00288582/step Wall: 6142.99, 0.00288582/step, 2.30946 hours remaining, 208.582031 MB of memory in use. ENERGY: 2119000 739.8092 2068.2855 1904.1273 119.2515 -205754.6743 17474.5283 0.0000 0.0000 34522.2764 -148926.3961 301.4916 -183448.6725 -148813.1537 300.2193 -70.7269 -38.2367 556376.2540 -7.5903 -7.6385 PRESSURE: 2119200 -19.2143 -95.1702 -240.273 -95.1713 -205.938 -51.4312 -240.272 -51.4301 7.91213 GPRESSURE: 2119200 -41.8497 -77.4105 -196.109 -47.5304 -109.279 -151.608 -231.954 -84.4727 30.1373 PRESSAVG: 2119200 -4.48419 10.9166 21.6628 10.9167 -4.79953 53.7458 21.6628 53.7458 3.0785 GPRESSAVG: 2119200 -5.1871 11.6069 22.1852 10.6702 -5.23036 53.4157 20.5483 52.4266 4.2468 TIMING: 2119200 CPU: 6143.57, 0.00288378/step Wall: 6143.57, 0.00288378/step, 2.30766 hours remaining, 208.582031 MB of memory in use. ENERGY: 2119200 741.7342 2043.5879 1966.9608 116.5484 -205773.9186 17492.5308 0.0000 0.0000 34439.3411 -148973.2154 300.7673 -183412.5565 -148878.1641 299.8875 -72.4135 -40.3304 556620.6855 -2.0684 -2.0569 PRESSURE: 2119400 40.5213 105.482 -27.0895 105.482 37.7551 -17.6347 -27.0879 -17.6357 -247.444 GPRESSURE: 2119400 124.258 -1.31134 60.756 138.585 21.5533 0.0289319 -42.9947 20.9789 -217.327 PRESSAVG: 2119400 55.6698 -37.9931 -41.5028 -37.9931 68.175 6.25315 -41.5028 6.25322 -67.8261 GPRESSAVG: 2119400 57.0213 -38.0603 -40.742 -38.3496 67.9216 7.58441 -40.6592 4.61373 -68.5385 TIMING: 2119400 CPU: 6144.15, 0.00288916/step Wall: 6144.15, 0.00288916/step, 2.31181 hours remaining, 208.582031 MB of memory in use. ENERGY: 2119400 735.5536 2056.1972 1938.0289 129.1412 -205751.9639 17742.2331 0.0000 0.0000 34144.9949 -149005.8151 298.1967 -183150.8100 -148909.8115 300.3716 -56.3892 -23.8383 558580.9801 18.6729 18.8014 PRESSURE: 2119600 -80.3085 -45.485 -41.7057 -45.4847 96.5821 -55.7586 -41.7049 -55.7599 -89.3131 GPRESSURE: 2119600 -33.6534 28.8949 -4.80422 -65.7484 119.073 55.7294 -94.7735 -73.8346 -56.772 PRESSAVG: 2119600 -86.265 -52.1029 -5.0266 -52.1029 72.4077 -9.65975 -5.02655 -9.65976 11.5841 GPRESSAVG: 2119600 -86.99 -52.7273 -4.98835 -51.5188 72.6863 -10.211 -7.24516 -8.99456 12.1884 TIMING: 2119600 CPU: 6144.72, 0.00288475/step Wall: 6144.72, 0.00288475/step, 2.30812 hours remaining, 208.582031 MB of memory in use. ENERGY: 2119600 721.3990 2138.1810 1932.5768 103.7566 -206111.6045 17867.0618 0.0000 0.0000 34237.6923 -149110.9369 299.0063 -183348.6293 -149018.3628 300.4172 -24.3465 9.5492 556890.1715 -0.7577 -0.7051 PRESSURE: 2119800 -284.977 22.3848 -79.4311 22.3847 -258.891 -112.032 -79.4329 -112.032 -38.4944 GPRESSURE: 2119800 -261.22 51.979 -49.6657 -29.5082 -257.264 -57.8639 -89.4012 -76.0689 28.146 PRESSAVG: 2119800 -49.7587 -15.085 -2.29257 -15.0851 54.4782 -2.79108 -2.29263 -2.79113 -15.4121 GPRESSAVG: 2119800 -49.7437 -15.715 -3.59974 -13.1287 53.795 0.389952 -0.356068 -3.08221 -15.3324 TIMING: 2119800 CPU: 6145.3, 0.00288164/step Wall: 6145.3, 0.00288164/step, 2.30547 hours remaining, 208.582031 MB of memory in use. ENERGY: 2119800 766.0615 2128.5919 1925.6796 112.4608 -205952.5440 17627.0354 0.0000 0.0000 34290.6427 -149102.0721 299.4687 -183392.7148 -149003.4098 300.3665 -194.1209 -163.4463 558831.2739 -3.5642 -3.7604 PRESSURE: 2120000 -60.3762 232.85 124.09 232.851 114.901 60.8994 124.09 60.9 98.0914 GPRESSURE: 2120000 -67.6468 170.836 20.3077 172.434 186.499 -38.1874 137.985 80.7047 118.134 PRESSAVG: 2120000 -41.0984 56.8417 7.55766 56.8417 67.6726 -48.7935 7.55762 -48.7935 -20.3266 GPRESSAVG: 2120000 -41.2163 58.1727 7.17668 55.5346 68.1262 -53.0859 7.71496 -45.7852 -20.6858 TIMING: 2120000 CPU: 6145.88, 0.00288758/step Wall: 6145.88, 0.00288758/step, 2.31006 hours remaining, 208.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2120000 749.1301 2094.2192 1963.8459 122.2737 -206278.4529 17820.2620 0.0000 0.0000 34335.2350 -149193.4869 299.8581 -183528.7219 -149096.9411 299.9247 50.8720 78.9955 556855.9607 2.0825 2.0747 PRESSURE: 2120200 122.817 -24.0093 -150.055 -24.0092 58.2354 25.9715 -150.055 25.971 -15.8153 GPRESSURE: 2120200 174.394 -9.29621 -56.5593 9.02083 63.4454 -13.8339 -158.86 84.5204 27.8285 PRESSAVG: 2120200 -69.2627 5.60644 19.4247 5.6064 40.8115 2.26068 19.4247 2.26073 -33.3782 GPRESSAVG: 2120200 -69.56 5.75309 19.0436 5.64524 41.9094 2.79565 20.3897 -1.08046 -33.9259 TIMING: 2120200 CPU: 6146.45, 0.0028831/step Wall: 6146.45, 0.0028831/step, 2.30632 hours remaining, 208.582031 MB of memory in use. ENERGY: 2120200 770.6724 2063.6809 1949.3399 105.9785 -206322.2551 17925.6777 0.0000 0.0000 34238.9467 -149267.9589 299.0172 -183506.9056 -149168.5398 298.9719 55.0790 88.5559 556783.0129 -20.6098 -20.5255 LDB: ============= START OF LOAD BALANCING ============== 6149.84 LDB: ============== END OF LOAD BALANCING =============== 6149.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6149.84 LDB: ============= START OF LOAD BALANCING ============== 6150.13 LDB: Largest compute 4794 load 0.022619 is 19.2% of average load 0.118018 LDB: Average compute 0.001745 is 1.5% of average load 0.118018 LDB: TIME 6150.13 LOAD: AVG 0.118018 MAX 0.178588 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 6150.13 LOAD: AVG 0.118018 MAX 0.178588 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: TIME 6150.13 LOAD: AVG 0.118018 MAX 0.178588 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6150.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6150.14 PRESSURE: 2120400 -276.797 106.643 -30.7815 106.643 -201.608 -164.462 -30.7818 -164.462 29.2237 GPRESSURE: 2120400 -201.326 92.3831 28.7003 110.297 -155.382 -143.563 -148.182 -168.988 3.15671 PRESSAVG: 2120400 -70.4352 5.48214 45.4601 5.48209 41.9216 8.06628 45.4602 8.0663 79.0668 GPRESSAVG: 2120400 -69.3228 6.08348 45.4219 3.75027 41.3968 9.32728 44.6054 11.3056 78.9763 TIMING: 2120400 CPU: 6147.04, 0.00293417/step Wall: 6147.04, 0.00293417/step, 2.34701 hours remaining, 209.359375 MB of memory in use. ENERGY: 2120400 737.8703 2087.8225 1945.5098 117.5788 -206158.5797 17604.3658 0.0000 0.0000 34239.2797 -149426.1529 299.0201 -183665.4326 -149325.1472 298.8332 -149.7269 -117.8505 558151.0625 16.8511 17.0167 PRESSURE: 2120600 -410.141 -26.6518 47.1179 -26.6518 -361.233 28.665 47.1163 28.6649 -223.741 GPRESSURE: 2120600 -384.442 -19.6467 89.5662 -39.92 -296.429 -69.0927 48.1419 181.249 -213.186 PRESSAVG: 2120600 -12.8809 51.8867 -52.2053 51.8866 0.419848 30.2091 -52.2052 30.2092 -24.1011 GPRESSAVG: 2120600 -13.9218 50.5231 -51.6078 54.3461 0.553423 30.4028 -53.2929 29.3259 -23.1282 TIMING: 2120600 CPU: 6147.62, 0.00289317/step Wall: 6147.62, 0.00289317/step, 2.31406 hours remaining, 209.562500 MB of memory in use. ENERGY: 2120600 778.4166 2096.1041 1956.3856 110.5914 -206397.4733 17624.7661 0.0000 0.0000 34287.5325 -149543.6771 299.4415 -183831.2096 -149448.0063 298.3879 -331.7052 -298.0187 557680.3714 -12.1874 -12.1655 PRESSURE: 2120800 -144.642 -10.5586 -50.0658 -10.5588 107.886 150.729 -50.0658 150.73 -159.314 GPRESSURE: 2120800 -191.92 -59.6497 -4.78936 -57.6974 202.965 130.643 -72.6276 149.186 -108.572 PRESSAVG: 2120800 19.8513 16.5103 3.70386 16.5103 -26.6262 -51.2775 3.70398 -51.2774 -18.0931 GPRESSAVG: 2120800 19.5301 17.5846 2.87632 14.4989 -26.904 -51.8052 4.92125 -51.2661 -18.0342 TIMING: 2120800 CPU: 6148.21, 0.00294714/step Wall: 6148.21, 0.00294714/step, 2.35706 hours remaining, 209.562500 MB of memory in use. ENERGY: 2120800 714.1323 2110.5416 1966.1379 116.3192 -206386.5967 17734.0978 0.0000 0.0000 34283.5590 -149461.8088 299.4068 -183745.3678 -149354.9318 298.4995 -65.3569 -32.5089 557808.8755 -8.2893 -8.4693 PRESSURE: 2121000 20.9381 184.726 -13.3856 184.725 233.801 -180.018 -13.3866 -180.017 102.572 GPRESSURE: 2121000 56.1239 154.129 22.9179 146.932 235.467 -189.261 -75.1645 -221.956 168 PRESSAVG: 2121000 38.9711 -23.974 -49.1122 -23.974 43.2565 36.0844 -49.1122 36.0844 -90.2177 GPRESSAVG: 2121000 39.0948 -24.4777 -49.7089 -22.9743 43.3533 34.4926 -48.518 35.8123 -90.1733 TIMING: 2121000 CPU: 6148.8, 0.00296528/step Wall: 6148.8, 0.00296528/step, 2.3714 hours remaining, 209.562500 MB of memory in use. ENERGY: 2121000 712.4651 2154.8593 1921.4562 117.7185 -206703.4875 18125.7760 0.0000 0.0000 34207.8829 -149463.3295 298.7459 -183671.2124 -149361.3319 298.4905 119.1036 153.1971 558316.0888 -2.6633 -2.5751 PRESSURE: 2121200 -202.979 48.8728 41.462 48.8741 69.513 -118.335 41.4624 -118.335 38.8394 GPRESSURE: 2121200 -174.724 49.6241 25.1821 65.4252 163.215 -195.578 96.4394 -47.3949 9.82939 PRESSAVG: 2121200 22.9323 79.5286 4.94998 79.5285 18.5804 22.9421 4.95004 22.9421 -50.5305 GPRESSAVG: 2121200 22.3817 77.0164 6.77172 81.4287 18.1064 22.4687 2.97804 24.0462 -49.8859 TIMING: 2121200 CPU: 6149.38, 0.00289759/step Wall: 6149.38, 0.00289759/step, 2.3171 hours remaining, 209.562500 MB of memory in use. ENERGY: 2121200 742.1702 2117.1844 1927.8986 106.5310 -206531.5384 17929.7558 0.0000 0.0000 34312.9541 -149395.0444 299.6636 -183707.9985 -149302.8142 299.6537 -31.5423 -0.5600 556602.1533 -3.0059 -3.1326 PRESSURE: 2121400 -245.993 -78.9568 -97.4312 -78.956 -120.761 -16.3134 -97.4303 -16.3119 -301.852 GPRESSURE: 2121400 -237.969 -92.839 -102.242 -80.6779 -86.3644 7.85028 -85.8096 -122.172 -265.157 PRESSAVG: 2121400 83.6737 10.628 -26.5282 10.628 -26.5887 20.6873 -26.5282 20.6872 -60.7725 GPRESSAVG: 2121400 83.6906 11.5789 -27.1697 9.24419 -26.5586 21.0562 -23.6392 20.5692 -60.9896 TIMING: 2121400 CPU: 6149.96, 0.00289888/step Wall: 6149.96, 0.00289888/step, 2.31798 hours remaining, 209.562500 MB of memory in use. ENERGY: 2121400 780.0473 2056.8593 1948.5612 119.4301 -206303.1467 17656.9057 0.0000 0.0000 34194.9502 -149546.3929 298.6330 -183741.3431 -149443.5386 298.6438 -222.8686 -196.4968 557477.8838 -1.2291 -1.2859 PRESSURE: 2121600 -52.2975 -166.74 -43.0528 -166.741 -21.2305 -135.16 -43.0534 -135.159 -31.5385 GPRESSURE: 2121600 -25.8234 -178.539 -76.9184 -123.383 -8.43866 -147.809 21.3189 -176.383 13.0474 PRESSAVG: 2121600 -10.35 -49.0967 -48.6586 -49.0967 17.642 -25.2191 -48.6586 -25.2191 38.5912 GPRESSAVG: 2121600 -10.6401 -48.402 -47.6951 -46.9361 18.0404 -25.6611 -50.4777 -24.7744 39.0509 TIMING: 2121600 CPU: 6150.54, 0.00287832/step Wall: 6150.54, 0.00287832/step, 2.30138 hours remaining, 209.562500 MB of memory in use. ENERGY: 2121600 723.3526 2094.2657 1963.3161 125.5817 -206370.3141 17665.9680 0.0000 0.0000 34180.3481 -149617.4819 298.5055 -183797.8300 -149523.2168 298.4399 -35.0222 -7.0716 555943.7986 15.2944 15.4837 PRESSURE: 2121800 -106.491 42.9922 -101.963 42.992 -212.982 -55.4806 -101.963 -55.4821 -69.8502 GPRESSURE: 2121800 -106.012 45.769 -81.5407 43.653 -167.449 -26.3547 -113.31 -16.2471 -24.7462 PRESSAVG: 2121800 45.061 11.2775 -27.6783 11.2774 -18.4698 28.3248 -27.6783 28.3246 -27.2144 GPRESSAVG: 2121800 46.068 12.7419 -26.5303 8.39239 -18.9877 28.9301 -26.4163 26.6751 -27.5062 TIMING: 2121800 CPU: 6151.12, 0.00289687/step Wall: 6151.12, 0.00289687/step, 2.31605 hours remaining, 209.562500 MB of memory in use. ENERGY: 2121800 726.4070 2120.3540 1955.3029 109.2207 -206081.1273 17564.9045 0.0000 0.0000 34202.8098 -149402.1283 298.7016 -183604.9381 -149305.6662 299.1365 -129.7746 -99.4025 557401.3256 -0.2077 -0.1420 PRESSURE: 2122000 85.813 140.94 105.571 140.939 -21.7225 -46.0067 105.57 -46.0061 -302.033 GPRESSURE: 2122000 115.965 178.205 201.575 145.219 -6.57737 22.3226 37.1701 -42.3952 -262.164 PRESSAVG: 2122000 9.52847 -5.26682 22.1997 -5.26679 9.218 6.88345 22.1997 6.88354 -15.4238 GPRESSAVG: 2122000 7.92371 -4.92722 20.4644 -5.85563 9.82268 8.72647 22.7986 5.69319 -14.8654 TIMING: 2122000 CPU: 6151.7, 0.00291721/step Wall: 6151.7, 0.00291721/step, 2.33215 hours remaining, 209.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2122000 735.0844 2133.4467 1941.9804 121.3616 -206059.7897 17689.9284 0.0000 0.0000 33984.3201 -149453.6681 296.7935 -183437.9882 -149361.0017 297.9605 -79.3141 -50.9252 558340.2537 1.1075 0.9603 PRESSURE: 2122200 -84.6939 84.8433 -324.98 84.8445 -118.585 137.943 -324.98 137.944 -4.10043 GPRESSURE: 2122200 -64.0089 71.0089 -394.971 99.3446 -95.2546 187.946 -347.35 146.169 49.1951 PRESSAVG: 2122200 27.0556 83.7517 -5.57707 83.7518 12.8559 62.7815 -5.57706 62.7815 -37.3563 GPRESSAVG: 2122200 28.4101 81.9755 -5.83975 84.9838 12.0692 63.3824 -8.31912 63.0294 -37.4105 TIMING: 2122200 CPU: 6152.28, 0.00292002/step Wall: 6152.28, 0.00292002/step, 2.33423 hours remaining, 209.562500 MB of memory in use. ENERGY: 2122200 737.0060 2134.9261 1933.1372 106.5475 -206089.8585 17750.0296 0.0000 0.0000 34022.7197 -149405.4925 297.1289 -183428.2122 -149313.0257 298.4667 -69.1265 -36.6895 558403.2842 0.8518 1.0230 PRESSURE: 2122400 -281.877 -23.8714 2.07975 -23.8709 -186.669 119.917 2.08098 119.915 105.421 GPRESSURE: 2122400 -225.638 -111.794 34.4948 36.3555 -214.484 66.3406 25.8877 120.897 175.601 PRESSAVG: 2122400 -1.94783 4.42491 -29.3868 4.42488 39.8827 21.3385 -29.3869 21.3385 -22.4343 GPRESSAVG: 2122400 -1.38275 4.49654 -26.795 3.7874 39.8723 18.2931 -30.6816 23.6282 -22.6888 TIMING: 2122400 CPU: 6152.86, 0.002899/step Wall: 6152.86, 0.002899/step, 2.31727 hours remaining, 209.562500 MB of memory in use. ENERGY: 2122400 742.9813 2117.4400 1935.0482 103.8783 -206175.8694 17659.8904 0.0000 0.0000 34231.6675 -149384.9638 298.9537 -183616.6312 -149286.9481 299.3228 -121.0417 -88.1735 557760.8438 5.1669 5.2669 PRESSURE: 2122600 -21.5142 -89.9531 -85.8317 -89.9518 -34.8668 -124.897 -85.8302 -124.897 -162.335 GPRESSURE: 2122600 -10.0288 -143.888 -98.4627 -24.7133 35.8955 -115.08 -38.2393 -69.4303 -151.464 PRESSAVG: 2122600 2.76696 7.59112 -21.2484 7.59121 2.5338 -43.6657 -21.2484 -43.6658 -56.7974 GPRESSAVG: 2122600 1.71937 6.86124 -22.0437 8.95596 2.63191 -41.7225 -17.3958 -44.1446 -56.1682 TIMING: 2122600 CPU: 6153.44, 0.00289642/step Wall: 6153.44, 0.00289642/step, 2.31504 hours remaining, 209.562500 MB of memory in use. ENERGY: 2122600 709.2165 2087.2088 1950.2232 114.8507 -205783.8034 17514.6498 0.0000 0.0000 34156.7298 -149250.9246 298.2992 -183407.6544 -149157.6188 298.5392 -72.9054 -41.8656 558287.1744 -17.1656 -17.2723 PRESSURE: 2122800 111.936 18.9043 6.18766 18.904 238.808 88.2991 6.18715 88.2989 -82.4576 GPRESSURE: 2122800 101.283 5.26604 -3.71729 -87.8158 307.401 130.391 36.875 116.234 -34.2237 PRESSAVG: 2122800 -37.0965 3.38194 41.0588 3.3819 76.9134 -16.4488 41.0588 -16.4489 -25.4182 GPRESSAVG: 2122800 -37.504 5.26752 40.6918 1.51721 77.9001 -17.9976 38.5305 -16.1799 -25.3895 TIMING: 2122800 CPU: 6154.03, 0.00290917/step Wall: 6154.03, 0.00290917/step, 2.32507 hours remaining, 209.562500 MB of memory in use. ENERGY: 2122800 723.1214 2081.3295 1952.0720 108.4418 -206349.9213 17889.8914 0.0000 0.0000 34412.3812 -149182.6841 300.5319 -183595.0653 -149075.8388 298.5396 89.4287 124.8201 557657.2293 4.7996 5.0022 PRESSURE: 2123000 -315.539 147.288 22.8561 147.287 128.284 55.7745 22.8544 55.7742 -121.77 GPRESSURE: 2123000 -313.161 138.446 28.4475 178.925 250.238 62.6261 84.3982 84.2382 -151.167 PRESSAVG: 2123000 -40.0176 -13.613 28.5836 -13.613 98.2137 -18.8385 28.5835 -18.8385 -28.9813 GPRESSAVG: 2123000 -39.2107 -15.632 28.2098 -12.5666 97.899 -18.1753 30.0413 -18.4206 -29.3932 TIMING: 2123000 CPU: 6154.61, 0.00291307/step Wall: 6154.61, 0.00291307/step, 2.32803 hours remaining, 209.562500 MB of memory in use. ENERGY: 2123000 705.3711 2080.4328 1939.4973 114.7804 -205925.9563 17592.8828 0.0000 0.0000 34135.9657 -149357.0261 298.1179 -183492.9918 -149265.8067 299.3068 -103.0086 -71.3632 558301.4594 9.7383 9.7650 PRESSURE: 2123200 -202.846 138.845 -4.73122 138.845 -172.954 -20.3159 -4.73078 -20.3157 -123.619 GPRESSURE: 2123200 -183.129 176.57 -23.6964 140.123 -162.765 -62.7923 -19.9359 -30.0958 -60.6599 PRESSAVG: 2123200 -51.9628 55.1115 -2.41008 55.1115 55.186 -34.3129 -2.4101 -34.313 -5.42714 GPRESSAVG: 2123200 -53.031 56.7733 -2.97059 52.1763 55.7986 -33.2327 -2.28742 -35.9523 -4.31376 TIMING: 2123200 CPU: 6155.19, 0.00289177/step Wall: 6155.19, 0.00289177/step, 2.31085 hours remaining, 209.562500 MB of memory in use. ENERGY: 2123200 750.6485 2089.4337 1919.7039 114.6521 -206021.1219 17597.8656 0.0000 0.0000 34380.7636 -149168.0546 300.2558 -183548.8182 -149074.7441 299.0574 -166.4731 -135.5179 557638.4681 -0.7347 -0.5154 PRESSURE: 2123400 -350.658 -137.973 5.28763 -137.974 -117.663 -88.7327 5.2873 -88.7315 -225.433 GPRESSURE: 2123400 -290.768 -151.449 85.9088 -6.9398 -83.9887 -7.94622 -19.5422 -171.507 -217.83 PRESSAVG: 2123400 -71.8987 -28.4872 4.53083 -28.4872 77.5422 4.35504 4.53087 4.35512 7.69452 GPRESSAVG: 2123400 -71.3291 -28.6252 3.96139 -25.2255 78.0152 5.13058 4.31283 3.39927 6.8336 TIMING: 2123400 CPU: 6155.76, 0.00288064/step Wall: 6155.76, 0.00288064/step, 2.30179 hours remaining, 209.562500 MB of memory in use. ENERGY: 2123400 780.3894 2062.9752 1957.1342 123.1475 -205733.5337 17478.1655 0.0000 0.0000 34081.5860 -149250.1359 297.6430 -183331.7219 -149160.7598 299.2445 -231.2514 -197.5288 557887.9488 4.4460 4.5066 PRESSURE: 2123600 -147.893 123.715 53.1447 123.716 43.7969 -79.5925 53.1452 -79.5917 -96.4601 GPRESSURE: 2123600 -143.819 39.2167 148.793 169.877 73.7467 -12.8472 -29.4257 -125.435 -44.4299 PRESSAVG: 2123600 -21.0607 -0.897338 -25.5811 -0.897331 8.49795 -19.2534 -25.5811 -19.2535 -22.0848 GPRESSAVG: 2123600 -20.8782 -1.43575 -23.8313 -2.766 9.00774 -21.7997 -25.8501 -17.3828 -22.1229 TIMING: 2123600 CPU: 6156.35, 0.00291273/step Wall: 6156.35, 0.00291273/step, 2.32727 hours remaining, 209.562500 MB of memory in use. ENERGY: 2123600 753.3471 2051.3805 1942.0195 110.8651 -206092.9153 17635.0737 0.0000 0.0000 34415.7671 -149184.4623 300.5615 -183600.2294 -149092.2122 298.5571 -66.8521 -38.1673 557099.0245 -11.5492 -11.3311 PRESSURE: 2123800 -227.59 -58.2102 -104.619 -58.2104 -243.572 -22.6937 -104.619 -22.6936 -3.24963 GPRESSURE: 2123800 -198.354 -19.574 -170.411 -126.37 -187.575 -2.09582 -132.002 -12.0438 -1.06374 PRESSAVG: 2123800 -55.3457 -10.057 -9.98751 -10.057 14.5234 -68.0973 -9.98758 -68.0973 12.968 GPRESSAVG: 2123800 -54.6199 -10.0262 -11.0122 -7.91582 14.4776 -64.2762 -9.39668 -70.2376 12.6291 TIMING: 2123800 CPU: 6156.92, 0.00288116/step Wall: 6156.92, 0.00288116/step, 2.30189 hours remaining, 209.562500 MB of memory in use. ENERGY: 2123800 773.9861 2048.0187 1944.8756 117.3812 -205889.3395 17481.3705 0.0000 0.0000 34255.4943 -149268.2131 299.1618 -183523.7074 -149162.8648 299.2362 -158.1370 -128.9976 558207.5854 -9.2848 -9.1711 PRESSURE: 2124000 -61.4848 208.849 60.0192 208.849 66.6758 57.4187 60.0191 57.4184 68.5049 GPRESSURE: 2124000 -31.1387 176.299 69.1494 180.295 87.8789 199.169 53.1328 2.68302 118.563 PRESSAVG: 2124000 -7.33145 -17.7446 43.9117 -17.7446 -22.2269 -51.3358 43.9118 -51.3359 -0.986168 GPRESSAVG: 2124000 -6.86387 -16.4766 43.0252 -19.4408 -22.7925 -52.1089 44.6067 -50.1674 -0.577697 TIMING: 2124000 CPU: 6157.5, 0.00287152/step Wall: 6157.5, 0.00287152/step, 2.29403 hours remaining, 209.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2124000 719.6902 2116.3817 1944.6512 115.8482 -206492.6861 17890.9517 0.0000 0.0000 34417.8868 -149287.2763 300.5800 -183705.1631 -149188.1219 298.6001 24.5653 58.4344 556477.5125 -10.1815 -10.0780 PRESSURE: 2124200 -33.4471 -42.2565 -196.2 -42.2571 -4.93531 -62.5766 -196.2 -62.5773 -214.545 GPRESSURE: 2124200 17.5214 -76.8515 -79.2909 36.2469 65.4247 -78.7932 -307.624 -29.0562 -221.31 PRESSAVG: 2124200 -18.1352 -23.2932 -3.8174 -23.2932 2.12917 3.75764 -3.81745 3.75771 19.9778 GPRESSAVG: 2124200 -16.1422 -23.1921 -1.92718 -22.0131 2.31445 1.34999 -5.22654 2.99923 18.4641 TIMING: 2124200 CPU: 6158.08, 0.0029126/step Wall: 6158.08, 0.0029126/step, 2.32668 hours remaining, 209.617188 MB of memory in use. ENERGY: 2124200 726.7719 2127.2001 1973.4743 124.7111 -205929.0271 17543.7035 0.0000 0.0000 34237.3158 -149195.8503 299.0030 -183433.1661 -149098.3437 299.0226 -84.3090 -46.1214 556189.6220 1.3239 1.5455 LDB: ============= START OF LOAD BALANCING ============== 6161.46 LDB: ============== END OF LOAD BALANCING =============== 6161.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6161.47 LDB: ============= START OF LOAD BALANCING ============== 6161.75 LDB: Largest compute 4793 load 0.021979 is 18.6% of average load 0.117869 LDB: Average compute 0.001743 is 1.5% of average load 0.117869 LDB: TIME 6161.76 LOAD: AVG 0.117869 MAX 0.18015 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.688 MB LDB: TIME 6161.76 LOAD: AVG 0.117869 MAX 0.18015 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.691 MB LDB: TIME 6161.76 LOAD: AVG 0.117869 MAX 0.18015 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.691 MB LDB: ============== END OF LOAD BALANCING =============== 6161.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6161.76 PRESSURE: 2124400 236.259 99.6579 -81.9245 99.6579 93.4904 17.7922 -81.9236 17.7906 -42.9229 GPRESSURE: 2124400 285.173 34.8027 -214.481 24.1997 103.326 -4.65987 55.9955 31.0964 -1.60828 PRESSAVG: 2124400 1.70529 56.3004 -52.9794 56.3004 2.08309 25.4281 -52.9795 25.4282 -34.0223 GPRESSAVG: 2124400 -0.678687 54.0344 -52.1198 57.1313 1.65064 25.2739 -53.2383 25.4107 -31.2174 TIMING: 2124400 CPU: 6158.67, 0.0029441/step Wall: 6158.67, 0.0029441/step, 2.35168 hours remaining, 209.679688 MB of memory in use. ENERGY: 2124400 756.2667 2061.5282 1965.9136 122.1808 -206071.0002 17804.3817 0.0000 0.0000 34356.2298 -149004.4995 300.0415 -183360.7293 -148911.2555 299.0873 95.6089 128.9634 555163.3040 -10.0780 -10.0818 PRESSURE: 2124600 31.7343 7.81928 -95.5133 7.81891 -132.131 -15.1801 -95.5118 -15.1812 -56.788 GPRESSURE: 2124600 66.2111 68.9478 -28.6495 -35.4318 -98.1998 58.3457 -121.053 -2.71796 -14.2547 PRESSAVG: 2124600 35.1072 -11.9848 -11.2861 -11.9848 26.3086 2.30801 -11.2862 2.30792 -42.9653 GPRESSAVG: 2124600 34.7592 -10.7423 -12.3952 -13.7111 27.0235 4.09521 -10.6403 3.33315 -43.2263 TIMING: 2124600 CPU: 6159.24, 0.00288514/step Wall: 6159.24, 0.00288514/step, 2.30442 hours remaining, 209.882812 MB of memory in use. ENERGY: 2124600 790.3013 2012.2161 1939.9376 117.1294 -206004.6684 17583.0968 0.0000 0.0000 34506.3449 -149055.6423 301.3525 -183561.9872 -148956.4043 299.6305 -52.3949 -15.4145 556499.5505 6.1502 6.1855 PRESSURE: 2124800 -216.217 -86.7905 -23.2484 -86.7889 -184.786 -97.9898 -23.2483 -97.9898 -75.4141 GPRESSURE: 2124800 -192.892 -12.0958 -104.335 -166.409 -132.504 -174.808 -19.4742 -37.4144 -50.3337 PRESSAVG: 2124800 75.2236 -1.9768 23.1826 -1.97684 -14.7364 -30.5708 23.1826 -30.5708 -43.5374 GPRESSAVG: 2124800 75.1838 -0.890101 24.847 -0.87449 -15.4637 -31.888 23.4013 -32.0073 -43.3993 TIMING: 2124800 CPU: 6159.82, 0.00289494/step Wall: 6159.82, 0.00289494/step, 2.31209 hours remaining, 209.882812 MB of memory in use. ENERGY: 2124800 758.5947 2099.8449 1959.8604 111.8538 -205865.0576 17506.5497 0.0000 0.0000 34303.7774 -149124.5766 299.5834 -183428.3540 -149028.8196 299.7672 -158.8057 -125.2435 557920.0669 5.6499 5.4403 PRESSURE: 2125000 -155.792 -194.114 -28.2004 -194.114 276.749 20.2526 -28.2002 20.2511 121.523 GPRESSURE: 2125000 -133.448 -184.092 23.7058 -175.43 321.736 4.27536 -17.9874 42.2495 150.932 PRESSAVG: 2125000 -81.17 -22.8875 15.0549 -22.8874 21.2077 -55.259 15.0549 -55.2589 54.8293 GPRESSAVG: 2125000 -80.4952 -25.0714 15.7277 -22.7063 21.7174 -55.7382 13.3816 -53.8348 54.1953 TIMING: 2125000 CPU: 6160.4, 0.0028916/step Wall: 6160.4, 0.0028916/step, 2.30927 hours remaining, 209.964844 MB of memory in use. ENERGY: 2125000 724.1345 2090.6020 1950.0880 105.5999 -206428.1414 17996.0284 0.0000 0.0000 34297.3886 -149264.3001 299.5276 -183561.6887 -149165.3039 299.6499 80.8265 113.0736 557567.2255 -1.7110 -1.5275 PRESSURE: 2125200 160.068 5.3751 -45.5011 5.37435 103.795 26.0525 -45.5009 26.0525 25.6169 GPRESSURE: 2125200 226.326 -29.3537 27.6227 -2.64516 112.637 25.0138 -68.6557 -75.6199 48.4213 PRESSAVG: 2125200 1.89819 -44.8556 -13.9135 -44.8556 62.2152 9.52368 -13.9135 9.52365 -56.8239 GPRESSAVG: 2125200 1.68639 -41.6999 -16.4186 -46.9358 61.983 9.60196 -12.4905 8.71792 -56.5854 TIMING: 2125200 CPU: 6160.98, 0.00287343/step Wall: 6160.98, 0.00287343/step, 2.29459 hours remaining, 209.964844 MB of memory in use. ENERGY: 2125200 752.9499 2119.5017 1964.2815 110.8210 -206625.5582 17989.1040 0.0000 0.0000 34363.5558 -149325.3443 300.1055 -183688.9002 -149228.8172 299.4033 96.4931 129.1280 556364.7756 2.4298 2.3613 PRESSURE: 2125400 246.673 79.6452 217.972 79.6442 -56.1603 64.4851 217.971 64.4827 346.284 GPRESSURE: 2125400 314.023 66.352 120.72 186.623 12.443 48.9688 226.054 -8.39361 299.269 PRESSAVG: 2125400 -13.7668 -7.5808 -25.0028 -7.58081 -5.07818 14.2871 -25.0028 14.2872 19.7053 GPRESSAVG: 2125400 -13.2049 -9.41832 -26.7614 -6.73754 -5.47655 15.5411 -24.3652 13.0772 19.5314 TIMING: 2125400 CPU: 6161.55, 0.00288204/step Wall: 6161.55, 0.00288204/step, 2.30131 hours remaining, 209.964844 MB of memory in use. ENERGY: 2125400 736.6076 2148.5294 1966.9933 111.0656 -206762.4751 18147.2128 0.0000 0.0000 34226.1642 -149425.9022 298.9056 -183652.0664 -149335.7161 299.1604 178.9322 208.5786 555326.2718 0.2868 0.2833 PRESSURE: 2125600 -15.8539 -164.154 -160.693 -164.155 -153.337 -136.192 -160.694 -136.191 -209.034 GPRESSURE: 2125600 -13.3602 -129.996 -117.822 -174.87 -96.4312 -133.264 -98.2996 -175.545 -173.001 PRESSAVG: 2125600 2.80746 -21.9104 20.6538 -21.9105 -7.98912 47.0225 20.6538 47.0224 8.2782 GPRESSAVG: 2125600 3.03121 -23.4751 23.4272 -22.1506 -8.19809 46.4463 19.2892 48.3723 8.03882 TIMING: 2125600 CPU: 6162.13, 0.00290938/step Wall: 6162.13, 0.00290937/step, 2.32297 hours remaining, 209.964844 MB of memory in use. ENERGY: 2125600 752.7817 2088.8699 1962.7942 128.4504 -206317.6687 17710.7299 0.0000 0.0000 34258.0417 -149416.0010 299.1840 -183674.0427 -149321.5410 298.9133 -126.0749 -94.2643 557272.0597 1.0322 0.9573 PRESSURE: 2125800 -32.7687 26.9654 98.0924 26.9653 -323.65 41.3261 98.0924 41.3272 -88.9941 GPRESSURE: 2125800 -21.3902 38.2954 83.7587 -13.3295 -261.925 67.3692 38.3575 -58.0591 -68.2291 PRESSAVG: 2125800 59.3188 17.1987 -30.7173 17.1988 -85.3981 39.2082 -30.7173 39.2083 2.21397 GPRESSAVG: 2125800 58.6969 18.9422 -33.103 16.9425 -84.611 39.2303 -29.815 39.1332 1.63542 TIMING: 2125800 CPU: 6162.72, 0.002913/step Wall: 6162.72, 0.002913/step, 2.3257 hours remaining, 209.964844 MB of memory in use. ENERGY: 2125800 740.5506 2068.4741 1923.4491 126.2204 -205905.3401 17571.4007 0.0000 0.0000 34291.4844 -149183.7607 299.4761 -183475.2452 -149081.4572 298.9110 -148.4709 -117.1815 558091.2190 -7.9551 -8.0929 PRESSURE: 2126000 395.171 212.191 -35.5139 212.19 107.107 24.7791 -35.5139 24.7794 36.3489 GPRESSURE: 2126000 418.215 205.798 -71.2985 279.585 66.8898 37.7084 38.0445 51.5759 149.006 PRESSAVG: 2126000 19.6857 27.0314 -9.90983 27.0313 14.9856 25.5737 -9.90977 25.5738 -38.514 GPRESSAVG: 2126000 20.5974 25.6936 -9.1386 26.5448 13.31 26.9263 -10.4275 25.3801 -37.6443 TIMING: 2126000 CPU: 6163.29, 0.00287749/step Wall: 6163.29, 0.00287749/step, 2.2972 hours remaining, 209.964844 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: 2126000 753.2132 2167.7749 1955.6641 104.2392 -206868.7243 18143.1548 0.0000 0.0000 34582.3398 -149162.3383 302.0162 -183744.6781 -149066.6653 299.3441 179.5424 211.3702 556993.8746 -1.2809 -1.2456 PRESSURE: 2126200 179.092 -111.242 220.529 -111.242 -15.404 70.4636 220.528 70.4615 104.354 GPRESSURE: 2126200 188.605 -102.694 200.229 -8.28453 5.30888 -0.0137981 212.216 1.19224 161.079 PRESSAVG: 2126200 37.9022 -2.95532 42.9287 -2.9553 -36.343 61.022 42.9287 61.022 -25.6404 GPRESSAVG: 2126200 37.1816 -2.31617 42.6829 -3.18018 -35.1908 59.1603 42.355 60.836 -25.7517 TIMING: 2126200 CPU: 6163.87, 0.00289141/step Wall: 6163.87, 0.00289141/step, 2.30815 hours remaining, 209.964844 MB of memory in use. ENERGY: 2126200 733.1817 2189.8750 1948.2114 119.9664 -206520.2586 17960.6879 0.0000 0.0000 34331.7784 -149236.5579 299.8280 -183568.3363 -149140.8965 299.4632 89.3474 118.3309 557153.0906 -8.0271 -7.9203 PRESSURE: 2126400 -138.768 51.3573 -10.0378 51.3568 -49.1452 -27.1123 -10.0385 -27.1122 -52.5093 GPRESSURE: 2126400 -92.315 99.236 22.9885 38.8163 -2.10083 25.6426 -38.0719 9.92437 -50.6203 PRESSAVG: 2126400 16.8141 -17.6757 71.6295 -17.6756 47.1971 1.71378 71.6295 1.7138 -79.8517 GPRESSAVG: 2126400 15.7205 -19.2311 72.5689 -15.7373 47.7199 1.41173 70.7999 3.67543 -79.3008 TIMING: 2126400 CPU: 6164.45, 0.00288096/step Wall: 6164.45, 0.00288096/step, 2.29965 hours remaining, 209.964844 MB of memory in use. ENERGY: 2126400 778.5283 2119.2682 1970.7650 118.6517 -206089.3368 17804.2534 0.0000 0.0000 34031.4954 -149266.3747 297.2055 -183297.8701 -149169.0875 299.2546 -80.1408 -48.3454 558351.7542 -5.2802 -5.2868 PRESSURE: 2126600 -106.578 112.473 -1.43176 112.472 -119.916 108.642 -1.43216 108.64 -101.347 GPRESSURE: 2126600 -28.3975 180.653 19.9362 55.2644 -132.438 126.384 -94.4611 162.699 -77.3417 PRESSAVG: 2126600 -23.7837 31.6221 35.6082 31.6222 -27.5259 -7.09165 35.6081 -7.09157 35.6236 GPRESSAVG: 2126600 -22.6445 33.7762 37.7576 29.7863 -28.5356 -5.83569 35.7078 -8.10419 34.9084 TIMING: 2126600 CPU: 6165.02, 0.00285984/step Wall: 6165.02, 0.00285984/step, 2.28263 hours remaining, 209.964844 MB of memory in use. ENERGY: 2126600 749.9249 2116.2660 1945.4836 116.6991 -206250.9385 17724.2555 0.0000 0.0000 34213.5667 -149384.7427 298.7956 -183598.3094 -149286.1206 299.1518 -109.2802 -79.3925 557229.0284 -5.2287 -5.4239 PRESSURE: 2126800 75.3096 -38.6906 76.3086 -38.6897 -208.051 52.1183 76.3098 52.1181 -292.211 GPRESSURE: 2126800 99.6292 36.7468 130.24 -21.2203 -147.162 52.304 41.2157 66.5267 -279.657 PRESSAVG: 2126800 -23.4057 -5.45366 -3.58993 -5.45362 -40.996 5.83374 -3.58995 5.83372 23.636 GPRESSAVG: 2126800 -23.5691 -4.90899 -5.26147 -4.8664 -41.3986 5.21291 -1.84 6.37258 24.5412 TIMING: 2126800 CPU: 6165.59, 0.00286645/step Wall: 6165.59, 0.00286645/step, 2.28775 hours remaining, 209.964844 MB of memory in use. ENERGY: 2126800 801.4594 2088.1992 1951.1665 101.8540 -206253.5014 17682.7933 0.0000 0.0000 34188.5833 -149439.4457 298.5774 -183628.0290 -149336.4012 298.5606 -141.6507 -109.0635 557481.9525 -13.5886 -13.4755 PRESSURE: 2127000 -7.9274 102.89 -4.29044 102.891 -5.16719 -39.4402 -4.29101 -39.4407 -72.3106 GPRESSURE: 2127000 41.4904 89.6826 27.2256 53.5046 29.8095 -61.2213 -139.994 -56.856 -40.223 PRESSAVG: 2127000 42.8602 36.7227 -4.60938 36.7227 50.2114 19.9845 -4.60941 19.9846 -68.2811 GPRESSAVG: 2127000 44.3304 36.4979 -4.38468 35.5428 51.5059 21.8579 -5.02446 18.2429 -70.6177 TIMING: 2127000 CPU: 6166.17, 0.00287358/step Wall: 6166.17, 0.00287358/step, 2.29328 hours remaining, 209.964844 MB of memory in use. ENERGY: 2127000 730.7705 2023.8180 1957.8988 127.7284 -206308.0147 17893.6271 0.0000 0.0000 34060.2029 -149513.9689 297.4562 -183574.1719 -149417.5529 298.5313 -28.4684 10.3590 557174.8711 8.2635 8.4062 PRESSURE: 2127200 172.317 -35.8317 43.5857 -35.8304 139.681 -10.0087 43.5866 -10.0079 -228.096 GPRESSURE: 2127200 200.919 -24.924 99.9074 -43.6256 171.599 16.2444 -10.8986 -36.8917 -181.857 PRESSAVG: 2127200 56.7254 12.7587 -64.7021 12.7587 27.6281 53.5655 -64.7021 53.5656 -82.8395 GPRESSAVG: 2127200 55.5444 14.0195 -64.272 15.1138 27.4426 52.4896 -64.6701 53.2808 -81.5738 TIMING: 2127200 CPU: 6166.74, 0.00287514/step Wall: 6166.74, 0.00287514/step, 2.29436 hours remaining, 209.964844 MB of memory in use. ENERGY: 2127200 711.1789 2121.9117 1950.6897 103.7733 -206707.5478 18122.7320 0.0000 0.0000 34103.4597 -149593.8026 297.8340 -183697.2623 -149497.1142 298.1245 27.9673 63.5535 556942.6934 0.5047 0.4711 PRESSURE: 2127400 -93.3405 49.3941 81.0143 49.3952 -30.6355 33.3051 81.013 33.3037 -143.215 GPRESSURE: 2127400 12.375 -39.724 29.0047 159.239 -14.0738 114.286 196.694 45.4912 -178.763 PRESSAVG: 2127400 -5.42001 -13.9711 21.3501 -13.971 43.6448 27.6646 21.3501 27.6646 -41.8824 GPRESSAVG: 2127400 -4.81827 -15.5755 19.577 -15.5151 43.1973 29.3288 20.4441 26.3781 -42.6853 TIMING: 2127400 CPU: 6167.32, 0.00289095/step Wall: 6167.32, 0.00289095/step, 2.30682 hours remaining, 209.964844 MB of memory in use. ENERGY: 2127400 716.7881 2080.4754 1961.7366 115.6454 -206165.3240 17723.9979 0.0000 0.0000 34100.5318 -149466.1489 297.8084 -183566.6806 -149371.0911 297.8260 -89.0636 -60.1538 557948.3516 -1.2192 -1.4354 PRESSURE: 2127600 169.632 -224.531 228.911 -224.53 -2.0974 -79.3164 228.912 -79.3166 -118.313 GPRESSURE: 2127600 159.566 -251.039 285.27 -216.308 17.9071 -29.9531 294.294 -41.3056 -37.2453 PRESSAVG: 2127600 83.5612 -22.8281 4.75589 -22.8281 -60.4257 11.8524 4.75592 11.8525 -2.49684 GPRESSAVG: 2127600 83.6273 -21.2247 5.54466 -23.1256 -61.3692 9.76533 4.13444 12.6069 -0.868908 TIMING: 2127600 CPU: 6167.9, 0.00290569/step Wall: 6167.9, 0.00290569/step, 2.31841 hours remaining, 209.964844 MB of memory in use. ENERGY: 2127600 735.5220 2103.7810 2002.0918 127.2283 -206324.4350 17821.6449 0.0000 0.0000 34210.7013 -149323.4656 298.7706 -183534.1669 -149226.3768 298.1823 16.4072 46.7426 556715.0768 6.8795 7.1297 PRESSURE: 2127800 225.967 -150.208 28.7464 -150.209 -95.0335 122.034 28.7461 122.034 -154.684 GPRESSURE: 2127800 211.05 -177.552 -65.2757 -149.518 -79.3821 94.0499 5.08587 151.089 -53.4844 PRESSAVG: 2127800 17.1148 -9.95294 63.8536 -9.95294 -33.9332 43.5488 63.8535 43.5487 22.4852 GPRESSAVG: 2127800 16.1967 -10.2287 63.5339 -10.5037 -33.7655 45.9385 64.5943 43.6161 23.3165 TIMING: 2127800 CPU: 6168.48, 0.00289842/step Wall: 6168.48, 0.00289842/step, 2.31245 hours remaining, 209.964844 MB of memory in use. ENERGY: 2127800 718.6521 2099.3026 1955.6771 115.2316 -206631.9308 17842.9485 0.0000 0.0000 34557.3254 -149342.7936 301.7977 -183900.1189 -149238.7429 298.3800 -7.9170 26.0612 556789.3479 1.8889 1.9159 PRESSURE: 2128000 -112.283 -5.66593 -67.936 -5.66605 11.6376 47.8554 -67.9357 47.8555 78.6342 GPRESSURE: 2128000 -45.6881 58.716 -147.169 -51.6077 58.4418 41.757 -81.9875 -66.9394 70.5678 PRESSAVG: 2128000 41.1002 15.8984 16.9249 15.8983 31.7033 49.5357 16.9248 49.5357 -61.6236 GPRESSAVG: 2128000 41.1781 15.0585 17.9805 18.583 32.1232 47.9718 17.7247 50.5973 -61.6329 TIMING: 2128000 CPU: 6169.06, 0.00289962/step Wall: 6169.06, 0.00289962/step, 2.31325 hours remaining, 209.964844 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: 2128000 765.5891 2138.2767 1960.8050 113.2361 -206407.4433 17928.0027 0.0000 0.0000 34215.8793 -149285.6544 298.8158 -183501.5337 -149196.9477 300.0125 -7.3369 27.7739 558350.1121 3.7266 3.8895 PRESSURE: 2128200 -41.5463 -37.3415 -263.922 -37.3418 14.9262 -4.46631 -263.922 -4.46553 -146.595 GPRESSURE: 2128200 31.2823 -31.1415 -203.177 74.3938 36.6961 -49.0929 -251.981 9.26319 -147.696 PRESSAVG: 2128200 -21.6088 -0.431334 31.5076 -0.431325 38.67 56.1483 31.5076 56.1483 -34.4594 GPRESSAVG: 2128200 -21.4021 -1.19354 32.2912 -0.630964 40.2558 55.1062 29.1748 57.8183 -36.6608 TIMING: 2128200 CPU: 6169.64, 0.00290236/step Wall: 6169.64, 0.00290236/step, 2.31528 hours remaining, 209.964844 MB of memory in use. ENERGY: 2128200 739.4831 2117.5395 1954.5707 112.4099 -206005.4044 17696.4846 0.0000 0.0000 34162.2813 -149222.6352 298.3477 -183384.9165 -149128.1974 299.7057 -57.7384 -26.5725 558089.3441 -5.7994 -5.9357 LDB: ============= START OF LOAD BALANCING ============== 6173.03 LDB: ============== END OF LOAD BALANCING =============== 6173.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6173.03 LDB: ============= START OF LOAD BALANCING ============== 6173.32 LDB: Largest compute 4794 load 0.023900 is 20.3% of average load 0.117921 LDB: Average compute 0.001736 is 1.5% of average load 0.117921 LDB: TIME 6173.32 LOAD: AVG 0.117921 MAX 0.182117 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 6173.32 LOAD: AVG 0.117921 MAX 0.182117 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.922 MB LDB: TIME 6173.32 LOAD: AVG 0.117921 MAX 0.182117 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.922 MB LDB: ============== END OF LOAD BALANCING =============== 6173.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6173.33 PRESSURE: 2128400 303.585 46.7293 224.889 46.7309 65.8959 -56.8335 224.889 -56.8339 152.593 GPRESSURE: 2128400 343.671 66.6571 222.863 -22.9049 109.566 -61.4988 206.826 -136.69 170.684 PRESSAVG: 2128400 73.7647 23.1486 44.2019 23.1485 29.5037 49.3458 44.202 49.3458 -73.5465 GPRESSAVG: 2128400 73.1269 24.4648 44.0125 21.3899 28.6392 51.9837 44.7699 47.5985 -72.2041 TIMING: 2128400 CPU: 6170.23, 0.00294551/step Wall: 6170.23, 0.00294551/step, 2.34953 hours remaining, 208.265625 MB of memory in use. ENERGY: 2128400 734.1709 2078.0355 1963.7545 112.3773 -206501.7509 18108.3971 0.0000 0.0000 34259.6068 -149245.4089 299.1977 -183505.0157 -149147.4663 299.4302 174.0245 207.9739 557360.5875 9.9073 9.8540 PRESSURE: 2128600 135.612 38.7919 -65.5742 38.7935 -68.158 35.2862 -65.5741 35.2864 136.483 GPRESSURE: 2128600 222.714 44.3367 -49.8834 41.7406 -53.2876 67.8867 -57.319 9.10058 136.077 PRESSAVG: 2128600 39.3968 77.9707 42.0572 77.9707 8.23361 22.1193 42.0574 22.1192 -46.0884 GPRESSAVG: 2128600 38.5448 76.292 41.639 80.4792 8.96376 21.9804 43.0502 22.1947 -46.2583 TIMING: 2128600 CPU: 6170.81, 0.00290643/step Wall: 6170.81, 0.00290643/step, 2.3182 hours remaining, 208.265625 MB of memory in use. ENERGY: 2128600 731.6352 2074.4136 1926.2423 118.2428 -206316.7940 17888.6844 0.0000 0.0000 34325.9972 -149251.5786 299.7775 -183577.5758 -149161.4012 299.3686 67.9791 101.8344 557758.3834 0.5140 0.4168 PRESSURE: 2128800 327.392 82.1082 154.169 82.1091 77.0145 34.7848 154.169 34.7862 6.67112 GPRESSURE: 2128800 274.222 121.998 88.4203 29.4541 208.896 170.186 112.684 -73.4117 32.2587 PRESSAVG: 2128800 -14.1638 63.8696 -41.8248 63.8696 1.36095 22.1838 -41.8249 22.1837 3.17967 GPRESSAVG: 2128800 -14.0523 66.1593 -41.1887 62.9171 1.44009 21.4484 -44.6942 21.8891 2.87127 TIMING: 2128800 CPU: 6171.4, 0.00293885/step Wall: 6171.4, 0.00293885/step, 2.34389 hours remaining, 208.265625 MB of memory in use. ENERGY: 2128800 727.2579 2051.2588 1995.2084 116.4355 -206341.1476 18067.5588 0.0000 0.0000 34273.9733 -149109.4548 299.3231 -183383.4282 -149018.8799 299.4601 137.0257 171.7920 556924.2971 -3.2077 -3.2470 PRESSURE: 2129000 -69.4285 4.72651 -114.536 4.7267 -0.379302 10.0021 -114.536 10.0009 -372.717 GPRESSURE: 2129000 -3.14769 -16.5407 -141.957 36.9852 3.43609 31.99 -112.408 -83.3949 -353.37 PRESSAVG: 2129000 -12.9294 51.5373 5.27344 51.5373 41.9677 47.2537 5.27337 47.2537 -30.5383 GPRESSAVG: 2129000 -12.3847 53.0691 4.00258 49.272 40.6134 45.9301 5.14869 47.1519 -30.1541 TIMING: 2129000 CPU: 6171.99, 0.00292876/step Wall: 6171.99, 0.00292876/step, 2.33568 hours remaining, 208.265625 MB of memory in use. ENERGY: 2129000 737.0189 2085.9105 1980.1063 123.4433 -206014.1437 17459.7267 0.0000 0.0000 34318.6732 -149309.2648 299.7135 -183627.9379 -149205.8654 299.2244 -147.5082 -117.6938 556704.5560 -0.5000 -0.6418 PRESSURE: 2129200 -66.0518 -41.8874 -80.8329 -41.8872 -17.5417 -138.164 -80.8344 -138.164 -222.754 GPRESSURE: 2129200 -51.2548 -80.2845 -117.134 33.5871 42.0402 -103.056 -53.6925 -88.5844 -198.83 PRESSAVG: 2129200 24.2038 -11.5962 -14.575 -11.5963 33.1901 -36.9642 -14.575 -36.9642 -64.3378 GPRESSAVG: 2129200 22.1859 -14.0405 -15.5236 -9.64068 34.3456 -34.722 -11.9557 -35.4185 -63.9988 TIMING: 2129200 CPU: 6172.57, 0.00289959/step Wall: 6172.57, 0.00289959/step, 2.31226 hours remaining, 208.265625 MB of memory in use. ENERGY: 2129200 721.5043 2061.4230 1964.3372 100.2386 -206135.3894 17656.4802 0.0000 0.0000 34323.2024 -149308.2038 299.7531 -183631.4062 -149208.2502 299.2188 -102.1157 -69.3483 557853.2445 -2.3146 -2.4891 PRESSURE: 2129400 19.3656 4.20935 -11.7071 4.20933 -5.94528 48.1741 -11.7082 48.1724 98.6224 GPRESSURE: 2129400 36.817 55.3293 17.9292 -17.7856 65.578 73.1669 16.5718 13.15 96.076 PRESSAVG: 2129400 -50.0583 5.82822 -54.9735 5.82821 26.7689 19.1045 -54.9736 19.1045 56.3306 GPRESSAVG: 2129400 -48.2509 6.13449 -55.6618 4.90873 26.1539 18.6558 -55.9775 18.0784 54.2918 TIMING: 2129400 CPU: 6173.14, 0.00286257/step Wall: 6173.14, 0.00286257/step, 2.28258 hours remaining, 208.265625 MB of memory in use. ENERGY: 2129400 726.7837 2075.4435 1920.5529 113.1994 -206486.5835 17994.6328 0.0000 0.0000 34370.4200 -149285.5511 300.1654 -183655.9711 -149198.3742 299.7256 37.3476 66.1570 558118.0018 11.0137 10.7316 PRESSURE: 2129600 286.169 106.004 -116.815 106.005 18.9593 102.765 -116.816 102.765 256.13 GPRESSURE: 2129600 347.263 173.563 -56.5015 131.294 16.463 64.3172 -101.774 134.203 294.275 PRESSAVG: 2129600 2.00943 24.5266 -15.3314 24.5265 -28.1159 28.1303 -15.3313 28.1302 -6.53177 GPRESSAVG: 2129600 2.30005 23.3413 -15.4729 26.2488 -29.2152 27.9519 -14.6898 29.5506 -5.41683 TIMING: 2129600 CPU: 6173.72, 0.00288962/step Wall: 6173.72, 0.00288962/step, 2.30399 hours remaining, 208.265625 MB of memory in use. ENERGY: 2129600 760.3072 2098.2104 1937.5778 99.3469 -206597.7588 18214.3039 0.0000 0.0000 34224.8522 -149263.1604 298.8941 -183488.0126 -149163.3598 299.4468 187.0860 219.3337 556884.9414 -10.8794 -10.7773 PRESSURE: 2129800 260.409 -70.3004 23.1588 -70.3 103.608 182.004 23.1601 182.003 28.3583 GPRESSURE: 2129800 220.706 0.25464 -70.3498 41.2521 151.401 192.592 47.9641 178.058 112.485 PRESSAVG: 2129800 5.3588 -34.5468 8.81808 -34.5469 -20.6565 27.5338 8.81811 27.5338 -4.02515 GPRESSAVG: 2129800 4.87241 -33.8265 10.9763 -35.8627 -20.3262 27.3114 7.69947 28.0552 -4.0961 TIMING: 2129800 CPU: 6174.29, 0.00287981/step Wall: 6174.29, 0.00287981/step, 2.29601 hours remaining, 208.265625 MB of memory in use. ENERGY: 2129800 758.2256 2040.8405 1974.8773 107.6875 -206308.9779 17940.3262 0.0000 0.0000 34293.9017 -149193.1191 299.4972 -183487.0208 -149091.8412 299.2581 130.7920 161.5305 554915.8628 -6.4410 -6.5166 PRESSURE: 2130000 41.6998 219.17 119.728 219.17 -137.725 -67.7833 119.728 -67.7828 -267.668 GPRESSURE: 2130000 74.02 265.274 132.519 188.078 -83.0168 -170.841 87.9362 -52.356 -252.649 PRESSAVG: 2130000 35.5575 32.2583 65.0991 32.2583 -36.6546 4.41525 65.0992 4.4153 -8.96367 GPRESSAVG: 2130000 35.1055 33.0322 64.8805 31.5308 -35.6875 7.31336 66.4427 2.19604 -10.2639 TIMING: 2130000 CPU: 6174.87, 0.0028781/step Wall: 6174.87, 0.0028781/step, 2.29449 hours remaining, 208.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2130000 759.5223 2052.3421 1964.2974 107.1438 -206193.2669 17628.3421 0.0000 0.0000 34401.9831 -149279.6360 300.4411 -183681.6191 -149186.3526 299.7124 -121.2309 -87.2151 556415.9323 -3.3536 -3.6153 PRESSURE: 2130200 113.122 88.9417 -91.2239 88.9417 -11.2193 3.24899 -91.2234 3.2494 187.96 GPRESSURE: 2130200 118.312 103.491 -114.092 87.6901 37.2947 -38.2941 -96.3115 -25.0184 236.665 PRESSAVG: 2130200 4.538 3.64139 2.868 3.64137 -16.0519 -9.21213 2.86797 -9.21212 -16.7869 GPRESSAVG: 2130200 4.42714 3.70835 2.35405 4.97893 -16.3351 -11.9118 1.73342 -8.27069 -16.0146 TIMING: 2130200 CPU: 6175.44, 0.00286968/step Wall: 6175.44, 0.00286968/step, 2.28761 hours remaining, 208.265625 MB of memory in use. ENERGY: 2130200 738.4084 2063.9415 1947.4598 112.8696 -206610.3368 18067.4083 0.0000 0.0000 34410.1467 -149270.1026 300.5124 -183680.2493 -149167.6942 299.2429 96.6208 130.7573 556433.2693 -9.4336 -9.3075 PRESSURE: 2130400 48.3682 41.5112 -26.7119 41.5105 183.05 112.621 -26.714 112.619 -134.746 GPRESSURE: 2130400 72.5175 -34.0839 -46.6532 114.528 216.68 91.6146 0.992356 124.313 -84.3975 PRESSAVG: 2130400 -10.4397 21.65 35.6843 21.65 21.3984 28.7219 35.6841 28.7219 -5.55723 GPRESSAVG: 2130400 -9.63186 21.4376 35.9867 20.1812 20.1858 29.8429 36.1315 25.7831 -5.09262 TIMING: 2130400 CPU: 6176.02, 0.00287609/step Wall: 6176.02, 0.00287608/step, 2.29256 hours remaining, 208.265625 MB of memory in use. ENERGY: 2130400 768.2225 2017.1700 1947.3257 116.7816 -206120.4860 17879.0724 0.0000 0.0000 34236.0347 -149155.8791 298.9918 -183391.9138 -149059.7574 298.7815 32.2239 68.2667 557524.0349 1.8005 1.8204 PRESSURE: 2130600 272.283 21.3209 -23.5783 21.3209 284.424 178.194 -23.578 178.195 271.028 GPRESSURE: 2130600 330.122 -27.7316 -96.0672 43.2496 270.068 105.993 47.1547 190.277 317.25 PRESSAVG: 2130600 -11.6084 22.1802 35.4942 22.1802 -4.91277 10.7865 35.4942 10.7866 20.5992 GPRESSAVG: 2130600 -14.0152 20.7745 34.3822 22.2125 -3.73308 9.33534 35.4329 11.7875 21.3501 TIMING: 2130600 CPU: 6176.59, 0.00287004/step Wall: 6176.59, 0.00287005/step, 2.28759 hours remaining, 208.265625 MB of memory in use. ENERGY: 2130600 745.2791 2086.5019 1955.1605 115.2092 -206402.5847 18201.3945 0.0000 0.0000 34315.4049 -148983.6347 299.6850 -183299.0395 -148887.3369 300.1352 275.9115 305.8134 554943.8681 1.3593 1.2006 PRESSURE: 2130800 -20.9519 135.874 -108.367 135.874 48.251 135.962 -108.368 135.962 -80.4737 GPRESSURE: 2130800 -9.0855 110.028 -80.5123 92.3464 53.7474 197.352 -141.006 93.9638 8.51598 PRESSAVG: 2130800 2.44483 -31.6709 21.8456 -31.671 33.0978 7.60615 21.8456 7.60621 -5.72757 GPRESSAVG: 2130800 4.40429 -30.6431 22.4428 -29.0125 31.8431 7.43109 22.5712 8.60279 -6.21618 TIMING: 2130800 CPU: 6177.16, 0.00285638/step Wall: 6177.16, 0.00285638/step, 2.27653 hours remaining, 208.265625 MB of memory in use. ENERGY: 2130800 727.4996 2072.7917 1934.3186 111.6480 -205783.5502 17553.8485 0.0000 0.0000 34273.7608 -149109.6829 299.3213 -183383.4438 -149017.3838 300.3100 -17.7249 17.7260 556085.4908 9.9384 10.0104 PRESSURE: 2131000 -44.1748 24.8049 -82.6011 24.8049 -283.208 -89.4122 -82.6002 -89.4119 -12.6428 GPRESSURE: 2131000 -18.5771 17.6167 -45.4589 -59.9088 -204.395 -57.1879 -75.1574 -71.1728 -12.078 PRESSAVG: 2131000 7.8541 -34.7698 20.7525 -34.7698 -2.70068 0.981236 20.7525 0.981291 50.1357 GPRESSAVG: 2131000 7.5947 -33.9294 22.8205 -36.5421 -2.4037 2.64836 20.6984 0.219123 49.7659 TIMING: 2131000 CPU: 6177.73, 0.00285018/step Wall: 6177.73, 0.00285018/step, 2.27143 hours remaining, 208.265625 MB of memory in use. ENERGY: 2131000 708.1458 2135.4791 1952.8175 112.5548 -205808.0199 17309.7395 0.0000 0.0000 34416.1970 -149173.0862 300.5652 -183589.2832 -149075.3985 300.0859 -113.3419 -78.3501 555271.5517 18.4297 18.3190 PRESSURE: 2131200 294.198 254.568 358.918 254.569 -91.6636 73.7526 358.918 73.7532 -105.072 GPRESSURE: 2131200 298.514 216.712 315.033 146.02 4.95294 71.0194 322.04 35.9906 -113.496 PRESSAVG: 2131200 66.5215 -6.13675 16.4599 -6.13678 -55.1262 5.9371 16.4599 5.9372 29.269 GPRESSAVG: 2131200 65.7652 -7.72108 15.1922 -5.91383 -54.6118 3.75926 15.4728 6.7293 29.373 TIMING: 2131200 CPU: 6178.31, 0.0028867/step Wall: 6178.31, 0.0028867/step, 2.30038 hours remaining, 208.265625 MB of memory in use. ENERGY: 2131200 730.4806 2092.1047 1923.0403 106.6340 -206002.6899 17704.6241 0.0000 0.0000 34359.7513 -149086.0549 300.0723 -183445.8062 -148996.4247 300.1935 32.4876 63.3235 555695.9576 13.5548 13.5088 PRESSURE: 2131400 -67.3119 45.1257 -105.372 45.1265 -112.048 45.0144 -105.372 45.0135 -11.576 GPRESSURE: 2131400 -62.5724 25.2803 -148.255 53.0428 -77.3038 8.84646 -99.8273 61.6285 37.333 PRESSAVG: 2131400 -36.3124 41.4976 50.9244 41.4976 50.2047 59.0242 50.9243 59.0242 10.571 GPRESSAVG: 2131400 -36.7212 41.9322 51.8331 41.3653 50.1931 60.4781 50.4316 59.7931 11.0288 TIMING: 2131400 CPU: 6178.88, 0.00286985/step Wall: 6178.88, 0.00286985/step, 2.28679 hours remaining, 208.265625 MB of memory in use. ENERGY: 2131400 737.1053 2142.9185 1938.3761 101.2050 -205709.9283 17546.4291 0.0000 0.0000 34169.6520 -149074.2423 298.4121 -183243.8943 -148977.8572 299.9848 -63.6453 -34.1811 554805.8827 8.1545 8.1669 PRESSURE: 2131600 -152.34 14.2835 18.627 14.2828 -54.4231 -125.01 18.6285 -125.01 28.876 GPRESSURE: 2131600 -108.816 8.12796 10.004 -54.7376 -27.8504 -58.3728 3.7438 -29.4169 62.0441 PRESSAVG: 2131600 -42.9641 17.6945 21.8746 17.6944 -28.8499 -12.5489 21.8745 -12.5489 75.1108 GPRESSAVG: 2131600 -40.5797 16.2672 20.4028 19.1157 -29.4833 -10.8335 24.4222 -13.9102 73.1792 TIMING: 2131600 CPU: 6179.46, 0.0028687/step Wall: 6179.46, 0.0028687/step, 2.28571 hours remaining, 208.265625 MB of memory in use. ENERGY: 2131600 740.2267 2058.1034 1964.8253 114.3993 -205818.0220 17603.7598 0.0000 0.0000 34232.6618 -149104.0457 298.9623 -183336.7075 -149011.3300 299.5540 -59.2957 -24.8740 556609.6586 1.0989 1.0387 PRESSURE: 2131800 144.863 -170.642 -8.95895 -170.641 -295.187 89.8195 -8.95809 89.8181 -137.746 GPRESSURE: 2131800 161.407 -130.553 24.3668 -193.042 -256.968 44.8579 2.8517 11.6338 -103.538 PRESSAVG: 2131800 -32.5532 -15.7981 33.9249 -15.7981 4.03424 21.1004 33.9249 21.1005 55.0038 GPRESSAVG: 2131800 -32.5283 -14.4626 34.7011 -16.5603 3.71202 19.0259 32.9891 20.398 56.0396 TIMING: 2131800 CPU: 6180.03, 0.00286455/step Wall: 6180.03, 0.00286455/step, 2.28225 hours remaining, 208.265625 MB of memory in use. ENERGY: 2131800 740.7264 2018.7539 1949.7409 117.5612 -205864.6761 17581.1161 0.0000 0.0000 34429.1960 -149027.5816 300.6787 -183456.7776 -148925.7721 299.3789 -96.0233 -66.3662 555847.9176 8.8283 9.0745 PRESSURE: 2132000 -49.7916 60.4699 93.5307 60.4692 135.963 -85.6043 93.5307 -85.6036 10.3187 GPRESSURE: 2132000 7.11066 38.4774 5.85456 8.34014 188.073 -97.8279 130.867 -149.347 -4.51675 PRESSAVG: 2132000 13.13 -41.299 33.6771 -41.2992 -21.0748 -16.1197 33.6771 -16.1197 51.9626 GPRESSAVG: 2132000 11.916 -40.1974 33.7078 -42.4975 -20.4892 -14.0519 32.5788 -18.5658 52.5401 TIMING: 2132000 CPU: 6180.61, 0.0028843/step Wall: 6180.61, 0.0028843/step, 2.29783 hours remaining, 208.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2132000 752.7304 2063.5790 1946.2393 108.9719 -205894.2647 17677.1545 0.0000 0.0000 34315.4920 -149030.0976 299.6857 -183345.5896 -148939.3590 299.9099 32.1633 63.5555 557494.6146 14.6726 14.6556 PRESSURE: 2132200 37.0017 119.157 -141.088 119.158 73.6195 18.7778 -141.088 18.7784 212.666 GPRESSURE: 2132200 -4.48859 27.4604 -97.2648 173.456 135.354 -10.3464 -63.049 101.212 284.547 PRESSAVG: 2132200 -60.9986 5.60393 -12.3965 5.60397 -82.7463 39.5623 -12.3964 39.5623 95.2829 GPRESSAVG: 2132200 -60.2522 3.77936 -11.1414 7.57766 -83.3684 37.9247 -11.94 42.6075 94.673 TIMING: 2132200 CPU: 6181.18, 0.00287951/step Wall: 6181.18, 0.00287951/step, 2.29385 hours remaining, 208.265625 MB of memory in use. ENERGY: 2132200 771.0661 2067.6114 1967.5334 106.6008 -206596.2772 18168.0267 0.0000 0.0000 34444.5281 -149070.9107 300.8126 -183515.4388 -148973.4981 300.2664 107.7624 138.4707 556768.3994 -16.1540 -16.3159 LDB: ============= START OF LOAD BALANCING ============== 6184.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6184.57 LDB: =============== DONE WITH MIGRATION ================ 6184.57 LDB: ============= START OF LOAD BALANCING ============== 6184.86 LDB: Largest compute 4794 load 0.022173 is 18.8% of average load 0.117870 LDB: Average compute 0.001732 is 1.5% of average load 0.117870 LDB: TIME 6184.86 LOAD: AVG 0.11787 MAX 0.181532 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.551 MB LDB: TIME 6184.86 LOAD: AVG 0.11787 MAX 0.181532 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: TIME 6184.86 LOAD: AVG 0.11787 MAX 0.181532 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6184.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6184.87 PRESSURE: 2132400 203.969 116.515 -105.876 116.514 106.823 -120.293 -105.876 -120.293 -6.73536 GPRESSURE: 2132400 208.091 81.1189 -129.088 61.6818 102.686 -61.3913 -37.2146 -191.256 84.8722 PRESSAVG: 2132400 -44.6334 51.4635 -7.85173 51.4635 -19.9415 5.08961 -7.85179 5.0895 85.1232 GPRESSAVG: 2132400 -46.3606 51.9658 -9.01189 49.5016 -19.6745 7.25682 -6.56191 4.41752 86.7662 TIMING: 2132400 CPU: 6181.77, 0.00294759/step Wall: 6181.77, 0.00294759/step, 2.34792 hours remaining, 208.718750 MB of memory in use. ENERGY: 2132400 753.3000 2065.0129 1949.5995 104.0187 -206380.9660 18057.0368 0.0000 0.0000 34271.7992 -149180.1990 299.3041 -183451.9981 -149077.1875 298.6920 101.3521 131.8829 557188.5204 6.8494 6.9104 PRESSURE: 2132600 -109.995 31.4859 -2.66014 31.4879 -138.07 -69.5927 -2.66063 -69.593 -127.811 GPRESSURE: 2132600 -85.2801 -94.271 -22.4178 65.5254 -91.5717 -19.8312 28.9044 -136.045 -100.711 PRESSAVG: 2132600 0.409239 -12.7361 40.9631 -12.736 -34.3187 16.1445 40.963 16.1446 39.1902 GPRESSAVG: 2132600 2.71746 -13.389 41.1193 -11.2558 -34.5765 13.7884 39.7213 15.5179 36.8312 TIMING: 2132600 CPU: 6182.35, 0.00286837/step Wall: 6182.35, 0.00286837/step, 2.28466 hours remaining, 208.718750 MB of memory in use. ENERGY: 2132600 750.8210 2086.9119 1940.2475 111.2877 -206301.7929 17814.1753 0.0000 0.0000 34328.3669 -149269.9826 299.7982 -183598.3495 -149167.6565 299.2049 -125.2920 -92.5210 557775.1806 1.7602 1.6574 PRESSURE: 2132800 -211.597 23.3152 55.1322 23.3154 -262.527 -8.50557 55.1316 -8.50516 223.234 GPRESSURE: 2132800 -126.997 -36.7546 115.894 53.6966 -195.766 14.7732 -53.9033 94.9575 172.502 PRESSAVG: 2132800 -11.4085 -29.2643 53.7371 -29.2643 12.0844 -12.1742 53.7372 -12.1743 -11.627 GPRESSAVG: 2132800 -13.6493 -28.2891 52.7456 -27.9553 13.5533 -13.4266 54.3886 -10.1481 -10.5336 TIMING: 2132800 CPU: 6182.92, 0.00286351/step Wall: 6182.92, 0.00286351/step, 2.28062 hours remaining, 208.718750 MB of memory in use. ENERGY: 2132800 738.4653 2060.2425 1985.6711 120.4142 -206213.2490 17703.0109 0.0000 0.0000 34361.0045 -149244.4405 300.0832 -183605.4450 -149147.9291 299.6694 -83.6300 -50.0873 557143.3663 -3.6504 -3.5432 PRESSURE: 2133000 -41.6088 -13.2482 247.542 -13.2478 -61.4324 88.6751 247.541 88.6754 -46.9366 GPRESSURE: 2133000 32.7313 44.6353 379.569 -70.0629 -88.7056 127.739 145.996 96.7263 -7.762 PRESSAVG: 2133000 -12.4844 -33.4831 52.3359 -33.4831 -67.9339 10.8297 52.3359 10.8297 35.85 GPRESSAVG: 2133000 -10.5512 -33.1797 52.5184 -35.145 -69.0055 12.1572 52.5192 11.9699 34.3782 TIMING: 2133000 CPU: 6183.49, 0.00287535/step Wall: 6183.49, 0.00287535/step, 2.2899 hours remaining, 208.839844 MB of memory in use. ENERGY: 2133000 743.1454 2114.1762 1959.3450 115.7369 -206488.6053 17798.3431 0.0000 0.0000 34459.8167 -149298.0420 300.9461 -183757.8587 -149197.0757 298.7894 -49.9926 -21.2455 556823.3005 -14.8561 -15.0595 PRESSURE: 2133200 45.1817 -19.1026 -10.7119 -19.1023 -80.9568 95.4657 -10.7123 95.4654 177.862 GPRESSURE: 2133200 113.116 75.2673 60.6807 -101.066 -97.5775 80.7064 -5.19795 90.4439 222.845 PRESSAVG: 2133200 85.4542 -1.13532 31.4154 -1.13526 5.42447 -30.9123 31.4155 -30.9121 -25.9548 GPRESSAVG: 2133200 85.2074 -1.46957 33.1802 0.161293 5.93285 -30.7247 30.5906 -32.4222 -25.9021 TIMING: 2133200 CPU: 6184.07, 0.00287673/step Wall: 6184.07, 0.00287673/step, 2.29083 hours remaining, 208.839844 MB of memory in use. ENERGY: 2133200 756.9607 2095.3995 1956.7963 117.3397 -206871.8181 18141.4108 0.0000 0.0000 34295.7538 -149508.1572 299.5133 -183803.9111 -149412.9181 298.8069 47.3622 79.4614 556503.7485 21.6413 21.7460 PRESSURE: 2133400 -40.4514 42.3169 -71.53 42.3175 -53.7711 -186.367 -71.5302 -186.365 -81.8043 GPRESSURE: 2133400 7.0505 -5.3938 -74.625 75.736 -62.0839 -238.704 -12.2381 -102.57 -12.7706 PRESSAVG: 2133400 39.0263 14.0995 -26.2024 14.0994 -76.2198 -54.2621 -26.2024 -54.2622 41.4937 GPRESSAVG: 2133400 38.0538 14.4057 -27.42 13.849 -76.7949 -53.2698 -24.7569 -53.1115 42.7308 TIMING: 2133400 CPU: 6184.64, 0.00287437/step Wall: 6184.64, 0.00287437/step, 2.2888 hours remaining, 208.839844 MB of memory in use. ENERGY: 2133400 728.4754 2019.2333 1947.7540 121.6633 -206032.4394 17681.1304 0.0000 0.0000 34353.9869 -149180.1961 300.0219 -183534.1830 -149085.6801 299.0340 -58.6756 -22.6013 557629.0274 1.4334 1.3299 PRESSURE: 2133600 42.1976 -55.4876 -48.55 -55.4882 -113.699 -56.2344 -48.5496 -56.2327 -200.296 GPRESSURE: 2133600 82.3041 -62.6885 -50.8525 -19.0865 -110.657 -61.2146 -119.377 -108.584 -156.753 PRESSAVG: 2133600 76.7812 -7.13843 -11.1723 -7.13849 29.9135 -18.5849 -11.1723 -18.5849 -56.0347 GPRESSAVG: 2133600 76.7054 -4.43574 -11.0555 -9.39348 30.0859 -18.0407 -13.624 -19.7713 -56.3013 TIMING: 2133600 CPU: 6185.22, 0.00289079/step Wall: 6185.22, 0.00289079/step, 2.30171 hours remaining, 208.839844 MB of memory in use. ENERGY: 2133600 742.3682 2089.9700 1933.4530 111.2078 -206269.5034 17727.8173 0.0000 0.0000 34469.5865 -149195.1006 301.0315 -183664.6871 -149100.5421 299.1020 -90.5989 -61.7017 558227.6140 16.8867 16.8300 PRESSURE: 2133800 -88.4654 2.26096 8.95175 2.26125 -123.435 45.3498 8.95131 45.3499 -104.814 GPRESSURE: 2133800 -10.594 45.1831 17.2766 -49.4286 -137.206 29.9469 17.0812 67.5257 -84.9855 PRESSAVG: 2133800 33.084 -25.2277 7.84744 -25.2277 -0.0959885 37.0577 7.84743 37.0575 -53.0311 GPRESSAVG: 2133800 33.4119 -25.9061 9.95804 -23.9253 0.0854935 34.7809 8.95456 37.9368 -53.3533 TIMING: 2133800 CPU: 6185.8, 0.00289926/step Wall: 6185.8, 0.00289926/step, 2.30829 hours remaining, 208.839844 MB of memory in use. ENERGY: 2133800 771.5557 2042.2650 1955.3628 108.4432 -206183.6055 17758.9156 0.0000 0.0000 34432.0215 -149115.0419 300.7034 -183547.0633 -149020.4846 299.6622 -105.5715 -77.5952 557491.7551 -6.6810 -6.6186 PRESSURE: 2134000 184.2 -177.054 -56.3887 -177.055 52.9809 193.815 -56.3875 193.816 115.962 GPRESSURE: 2134000 207.281 -121.631 -25.3276 -267.057 84.5517 144.238 -65.8045 124.808 163.732 PRESSAVG: 2134000 37.113 -29.1126 -6.29998 -29.1126 -5.49967 78.0624 -6.29994 78.0626 0.929033 GPRESSAVG: 2134000 37.5132 -30.7709 -10.6189 -28.8075 -6.28255 79.0821 -5.7073 77.5958 1.06857 TIMING: 2134000 CPU: 6186.38, 0.00289678/step Wall: 6186.38, 0.00289678/step, 2.30616 hours remaining, 208.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2134000 742.1398 2087.9892 1954.6131 112.1241 -206460.8577 18024.2324 0.0000 0.0000 34365.0779 -149174.6812 300.1188 -183539.7591 -149080.4898 299.4579 117.7143 151.8549 556281.7549 10.8475 10.7664 PRESSURE: 2134200 196.88 10.3641 -49.0504 10.3633 190.541 11.7981 -49.0505 11.799 -101.626 GPRESSURE: 2134200 248.445 -3.28205 6.23432 -32.5551 166.834 -56.4316 -89.7356 69.6836 -19.9543 PRESSAVG: 2134200 31.2513 -23.6321 30.612 -23.6322 9.19558 27.5691 30.6121 27.569 -1.19186 GPRESSAVG: 2134200 30.9589 -24.6856 33.6273 -24.2099 9.2446 28.5403 29.9002 28.6417 -1.299 TIMING: 2134200 CPU: 6186.96, 0.0028909/step Wall: 6186.96, 0.0028909/step, 2.30132 hours remaining, 208.839844 MB of memory in use. ENERGY: 2134200 742.6564 2145.2929 1948.8034 110.6613 -206417.8023 18012.5526 0.0000 0.0000 34333.8626 -149123.9732 299.8462 -183457.8358 -149024.6851 299.7083 95.2653 131.7748 556268.1284 13.0850 12.9682 PRESSURE: 2134400 -307.093 -76.1907 61.9334 -76.1917 -119.643 -63.3201 61.9344 -63.3213 -124.038 GPRESSURE: 2134400 -303.787 -16.2333 4.47672 -36.2472 -73.0834 3.20218 28.3791 -144.033 -96.1308 PRESSAVG: 2134400 23.278 -22.1422 109.197 -22.1422 -13.9606 52.0423 109.197 52.0423 -2.82341 GPRESSAVG: 2134400 23.6532 -22.0621 106.392 -21.852 -13.2032 52.0927 109.522 48.9675 -3.82975 TIMING: 2134400 CPU: 6187.53, 0.00287082/step Wall: 6187.53, 0.00287082/step, 2.28517 hours remaining, 208.839844 MB of memory in use. ENERGY: 2134400 716.1047 2135.8366 1944.1617 122.7664 -205833.8918 17566.5640 0.0000 0.0000 34064.8857 -149283.5728 297.4971 -183348.4585 -149183.9847 299.4249 -183.5913 -157.6671 557524.6838 2.1647 2.2067 PRESSURE: 2134600 -84.4913 -185.691 -102.184 -185.692 -262.914 111.212 -102.184 111.215 91.1526 GPRESSURE: 2134600 3.78078 -192.727 -55.2041 -139.734 -257.867 120.556 -129.141 53.4039 104.646 PRESSAVG: 2134600 59.795 -19.2765 53.234 -19.2765 -47.5036 60.3181 53.234 60.3181 -7.12387 GPRESSAVG: 2134600 59.7759 -19.8725 55.5029 -19.1241 -48.2376 58.9618 52.061 61.1761 -6.97038 TIMING: 2134600 CPU: 6188.11, 0.00288256/step Wall: 6188.11, 0.00288256/step, 2.29436 hours remaining, 208.839844 MB of memory in use. ENERGY: 2134600 709.8438 2145.7530 1936.6316 118.4963 -205460.7961 17418.9831 0.0000 0.0000 34250.6755 -148880.4128 299.1197 -183131.0884 -148778.7095 300.1570 -85.4177 -49.8134 558540.9762 1.7225 1.5226 PRESSURE: 2134800 18.2212 -56.2537 96.9065 -56.2533 -71.7567 166.166 96.9061 166.166 -10.8912 GPRESSURE: 2134800 75.5882 -61.9004 51.9231 -118.751 -75.8393 202.859 112.147 75.3096 34.3539 PRESSAVG: 2134800 -10.0394 -63.4091 9.65785 -63.4091 32.1645 76.0549 9.65786 76.0549 -6.98801 GPRESSAVG: 2134800 -9.79654 -62.2521 9.23488 -63.3163 31.121 75.5462 10.6568 76.8936 -6.46693 TIMING: 2134800 CPU: 6188.69, 0.00290962/step Wall: 6188.69, 0.00290962/step, 2.31573 hours remaining, 208.839844 MB of memory in use. ENERGY: 2134800 721.4960 2143.2199 1942.4279 119.7534 -206023.4182 17702.7457 0.0000 0.0000 34461.0038 -148932.7714 300.9565 -183393.7752 -148836.2116 300.8951 -21.4756 11.3676 556395.4438 5.0457 4.9525 PRESSURE: 2135000 193.796 19.3235 164.728 19.3219 108.393 -136.761 164.728 -136.763 -159.713 GPRESSURE: 2135000 222.151 -17.9806 107.59 41.0376 141.763 -203.139 223.355 -157.107 -119.051 PRESSAVG: 2135000 15.6238 55.2828 45.5104 55.2828 20.1038 13.6972 45.5105 13.6973 4.38639 GPRESSAVG: 2135000 16.3372 55.0289 45.3289 55.4123 20.426 13.243 47.8687 13.1936 3.29448 TIMING: 2135000 CPU: 6189.27, 0.00291608/step Wall: 6189.27, 0.00291608/step, 2.32072 hours remaining, 208.839844 MB of memory in use. ENERGY: 2135000 808.7556 2113.6300 1978.2598 119.4986 -206152.4637 17806.4884 0.0000 0.0000 34295.9277 -149029.9036 299.5149 -183325.8313 -148929.9408 300.5275 47.4921 81.6209 557633.3708 13.3713 13.3525 PRESSURE: 2135200 181.618 -28.5827 124.884 -28.5829 103.32 41.6765 124.883 41.6763 -30.2051 GPRESSURE: 2135200 249.61 1.13627 172.024 -79.4279 143.987 17.1364 125.381 73.1486 -56.7221 PRESSAVG: 2135200 18.8266 -7.02903 8.76306 -7.029 2.24683 26.4731 8.76312 26.4732 -9.34449 GPRESSAVG: 2135200 18.6174 -6.77155 7.85854 -8.64873 2.21779 25.4183 6.82533 27.7228 -8.94701 TIMING: 2135200 CPU: 6189.86, 0.00291135/step Wall: 6189.86, 0.00291135/step, 2.31679 hours remaining, 208.839844 MB of memory in use. ENERGY: 2135200 709.2307 2116.0549 1953.4543 137.4917 -206141.1879 17945.6201 0.0000 0.0000 34296.0866 -148983.2496 299.5163 -183279.3362 -148881.6048 300.2625 84.9109 112.2915 556790.2987 3.9096 3.9627 PRESSURE: 2135400 -0.566222 45.2236 119.302 45.2226 100.855 -109.984 119.303 -109.984 -87.3726 GPRESSURE: 2135400 73.6531 75.5744 44.5016 -28.9106 106.317 -123.184 150.912 22.5443 -83.0612 PRESSAVG: 2135400 -43.6905 38.502 -10.9514 38.5021 89.2959 1.77071 -10.9514 1.77075 -13.3599 GPRESSAVG: 2135400 -42.6861 37.8988 -11.1144 41.1172 89.4705 3.54859 -9.17912 -1.53231 -14.1659 TIMING: 2135400 CPU: 6190.44, 0.00289212/step Wall: 6190.44, 0.00289212/step, 2.30133 hours remaining, 208.839844 MB of memory in use. ENERGY: 2135400 749.8703 2118.1783 1983.8569 107.6175 -206005.7512 17635.0431 0.0000 0.0000 34319.2450 -149091.9400 299.7185 -183411.1851 -148998.3772 300.0450 4.3053 32.3030 553903.8707 10.7485 10.8728 PRESSURE: 2135600 198.224 64.7799 55.1165 64.7803 231.719 88.1537 55.1163 88.1545 94.7069 GPRESSURE: 2135600 260.814 91.1935 7.87077 90.9706 271.96 34.5125 -58.3068 31.026 81.4819 PRESSAVG: 2135600 -32.7354 24.1915 -30.7339 24.1914 57.1871 -4.16107 -30.7339 -4.16108 -8.33493 GPRESSAVG: 2135600 -34.762 24.5086 -29.4827 23.1838 58.4243 -4.15625 -33.9763 -3.08219 -7.93351 TIMING: 2135600 CPU: 6191.01, 0.00288684/step Wall: 6191.01, 0.00288684/step, 2.29696 hours remaining, 208.839844 MB of memory in use. ENERGY: 2135600 749.3900 2157.9591 1973.4882 118.6262 -206125.9941 17913.7271 0.0000 0.0000 34036.4298 -149176.3738 297.2486 -183212.8035 -149079.5879 299.3760 174.8832 204.7519 555712.6380 5.3723 5.2429 PRESSURE: 2135800 -190.653 166.417 -144.889 166.418 -61.9546 58.7827 -144.888 58.7833 -12.655 GPRESSURE: 2135800 -176.033 160.447 -71.9062 139.884 -77.3742 41.6887 -88.8412 -44.1495 84.9111 PRESSAVG: 2135800 -55.6335 40.642 -15.9711 40.642 13.8489 -50.0437 -15.9711 -50.0437 18.062 GPRESSAVG: 2135800 -55.7154 39.6088 -16.4577 41.6514 13.3094 -49.7626 -13.6254 -50.1527 18.6514 TIMING: 2135800 CPU: 6191.59, 0.00288414/step Wall: 6191.59, 0.00288414/step, 2.29466 hours remaining, 208.839844 MB of memory in use. ENERGY: 2135800 773.4195 2073.7180 1937.5789 104.9934 -205942.2993 17727.5476 0.0000 0.0000 34176.8175 -149148.2244 298.4746 -183325.0419 -149051.9761 298.9157 -88.4207 -56.1654 557996.8370 -7.9075 -7.9182 PRESSURE: 2136000 184.181 66.7176 22.515 66.7174 -245.752 75.7164 22.5157 75.7168 146.084 GPRESSURE: 2136000 192.482 80.1599 -53.4413 100.709 -151.256 105.58 12.1282 57.6427 139.453 PRESSAVG: 2136000 23.0974 31.2178 -35.7107 31.2178 -85.7733 -32.202 -35.7107 -32.202 67.6783 GPRESSAVG: 2136000 22.8199 33.2218 -36.1652 31.7728 -85.9632 -32.6017 -36.2265 -31.3118 67.9091 TIMING: 2136000 CPU: 6192.17, 0.00288666/step Wall: 6192.17, 0.00288666/step, 2.2965 hours remaining, 208.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2136000 753.8331 2085.4283 1947.2615 103.3290 -205981.7907 17650.6951 0.0000 0.0000 34302.8913 -149138.3525 299.5757 -183441.2439 -149039.0241 299.2860 28.1710 60.2266 556720.6488 1.6674 1.5886 PRESSURE: 2136200 230.777 -23.2663 -57.7129 -23.266 212.532 -22.1177 -57.7148 -22.1169 233.864 GPRESSURE: 2136200 249.627 -17.8468 -35.0806 -59.6362 227.343 63.9473 -71.0729 -32.6365 282.788 PRESSAVG: 2136200 5.75725 -5.99543 -10.9967 -5.9955 -34.6913 -30.9869 -10.9968 -30.9869 33.7086 GPRESSAVG: 2136200 5.58511 -5.54919 -11.1129 -6.34507 -33.981 -30.2546 -11.9428 -30.9379 33.239 TIMING: 2136200 CPU: 6192.75, 0.00291148/step Wall: 6192.75, 0.00291148/step, 2.31608 hours remaining, 208.839844 MB of memory in use. ENERGY: 2136200 736.1989 1964.3994 1959.2208 130.1213 -206204.7226 17972.5388 0.0000 0.0000 34332.4324 -149109.8109 299.8337 -183442.2433 -149010.2826 299.5111 225.7245 253.2526 557167.3444 1.5915 1.6144 LDB: ============= START OF LOAD BALANCING ============== 6196.13 LDB: ============== END OF LOAD BALANCING =============== 6196.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6196.14 LDB: ============= START OF LOAD BALANCING ============== 6196.42 LDB: Largest compute 4820 load 0.022120 is 18.7% of average load 0.118005 LDB: Average compute 0.001726 is 1.5% of average load 0.118005 LDB: TIME 6196.43 LOAD: AVG 0.118005 MAX 0.179403 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 6196.43 LOAD: AVG 0.118005 MAX 0.179403 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: TIME 6196.43 LOAD: AVG 0.118005 MAX 0.179403 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: ============== END OF LOAD BALANCING =============== 6196.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6196.43 PRESSURE: 2136400 -288.108 -270.13 24.9643 -270.131 -179.334 -44.9626 24.964 -44.9611 -193.077 GPRESSURE: 2136400 -281.077 -217.693 130.441 -278.521 -111.725 -41.7267 -76.9499 -62.1034 -169.401 PRESSAVG: 2136400 -56.68 -28.652 23.0157 -28.652 11.4104 -49.6017 23.0157 -49.6017 29.0314 GPRESSAVG: 2136400 -57.1181 -28.7824 23.3361 -29.0876 10.6213 -49.0915 23.7766 -48.7521 30.323 TIMING: 2136400 CPU: 6193.34, 0.00293414/step Wall: 6193.34, 0.00293414/step, 2.33394 hours remaining, 208.871094 MB of memory in use. ENERGY: 2136400 770.0488 2075.5073 1971.4172 105.0554 -205899.7641 17607.5631 0.0000 0.0000 34166.8357 -149203.3367 298.3875 -183370.1723 -149100.0305 299.7037 -220.1730 -187.4010 559482.7566 -5.4128 -5.3912 PRESSURE: 2136600 90.038 37.4502 -49.1849 37.4493 32.5196 25.9986 -49.1852 25.998 -46.2147 GPRESSURE: 2136600 85.2224 78.6243 -41.5826 -34.5943 73.5828 39.5511 -17.9154 -13.061 13.0659 PRESSAVG: 2136600 3.71388 -14.2253 2.11645 -14.2252 -69.4674 17.9371 2.11651 17.937 62.6189 GPRESSAVG: 2136600 3.60684 -14.272 4.31454 -16.208 -68.4468 16.6962 0.573018 17.6567 61.1089 TIMING: 2136600 CPU: 6193.91, 0.00285654/step Wall: 6193.91, 0.00285654/step, 2.27206 hours remaining, 208.871094 MB of memory in use. ENERGY: 2136600 733.9928 2045.3661 1955.1914 112.3784 -205759.9854 17681.4019 0.0000 0.0000 34080.7530 -149150.9018 297.6357 -183231.6548 -149061.7186 299.0666 25.4476 57.2904 557394.6568 -1.0449 -1.2437 PRESSURE: 2136800 -25.5002 -79.4584 -18.0203 -79.459 55.9665 -105.679 -18.0185 -105.679 290.645 GPRESSURE: 2136800 -6.43927 -66.8735 -60.1804 -75.792 122.798 -99.9636 -39.0571 -24.4854 306.053 PRESSAVG: 2136800 -15.7734 -22.6653 27.8709 -22.6653 8.61069 42.5268 27.871 42.5267 31.0738 GPRESSAVG: 2136800 -15.2114 -23.9088 27.9382 -21.5958 8.00147 43.289 28.3834 40.5206 31.466 TIMING: 2136800 CPU: 6194.48, 0.00287927/step Wall: 6194.48, 0.00287927/step, 2.28998 hours remaining, 208.871094 MB of memory in use. ENERGY: 2136800 746.0222 2041.4009 1954.9835 121.5928 -206674.9137 18108.9671 0.0000 0.0000 34434.6684 -149267.2787 300.7265 -183701.9471 -149175.5443 298.6535 107.0371 140.8038 556649.9677 7.9704 8.0853 PRESSURE: 2137000 97.0252 68.93 210.392 68.929 166.736 161.331 210.391 161.33 -68.6787 GPRESSURE: 2137000 96.455 81.7056 236.371 46.2069 224.877 140.75 109.394 142.131 -33.6019 PRESSAVG: 2137000 11.5801 -32.6822 31.4429 -32.6821 4.06018 -6.89818 31.4428 -6.89797 -14.4863 GPRESSAVG: 2137000 11.7254 -31.3706 29.913 -33.4414 4.4029 -6.69574 32.6596 -5.3226 -14.3844 TIMING: 2137000 CPU: 6195.06, 0.00289385/step Wall: 6195.06, 0.00289385/step, 2.30141 hours remaining, 208.871094 MB of memory in use. ENERGY: 2137000 727.3116 2055.3651 1974.3647 125.2092 -206226.6374 17898.4432 0.0000 0.0000 34194.7344 -149251.2092 298.6311 -183445.9436 -149151.5023 299.6180 65.0274 95.9099 557785.7743 0.3847 0.5813 PRESSURE: 2137200 -58.87 -51.556 41.9119 -51.5567 -23.847 128.687 41.9104 128.687 -40.0656 GPRESSURE: 2137200 -6.01248 -44.9741 87.2955 -108.81 -39.0165 186.791 -42.2291 102.605 12.5945 PRESSAVG: 2137200 36.8353 2.78738 27.9067 2.7874 9.7865 50.0244 27.9066 50.0244 -32.3973 GPRESSAVG: 2137200 35.8758 2.59298 30.4228 2.8059 9.0888 49.4305 28.1832 49.852 -31.4619 TIMING: 2137200 CPU: 6195.64, 0.00287919/step Wall: 6195.64, 0.00287919/step, 2.2896 hours remaining, 208.871094 MB of memory in use. ENERGY: 2137200 711.3716 2017.1435 1944.8418 97.2154 -205775.7876 17674.4331 0.0000 0.0000 34321.2276 -149009.5547 299.7358 -183330.7822 -148913.8687 299.4768 -40.9275 -10.8115 558441.8402 4.7415 4.5009 PRESSURE: 2137400 -218.468 -81.3272 -14.051 -81.3268 -19.1104 -137.14 -14.0517 -137.139 -57.0836 GPRESSURE: 2137400 -189.19 -111.702 63.1761 -36.5078 35.6746 -147.452 -99.6518 -115.281 -48.9389 PRESSAVG: 2137400 30.3866 -37.7742 15.527 -37.7744 -28.9279 22.6872 15.5271 22.6871 -4.19507 GPRESSAVG: 2137400 30.5487 -37.4526 13.9918 -37.5695 -28.964 23.0445 15.4933 23.6068 -4.22534 TIMING: 2137400 CPU: 6196.21, 0.00287781/step Wall: 6196.21, 0.00287781/step, 2.28834 hours remaining, 208.871094 MB of memory in use. ENERGY: 2137400 733.6127 2036.5878 1969.6952 125.5888 -205853.9011 17657.7370 0.0000 0.0000 34397.3155 -148933.3641 300.4003 -183330.6796 -148837.6958 299.3716 -98.2207 -67.4847 559695.5194 -0.9121 -0.8802 PRESSURE: 2137600 -240.169 60.2285 -32.8672 60.2281 252.065 82.0204 -32.8681 82.0225 -111.423 GPRESSURE: 2137600 -180.276 -8.09694 -50.0744 133.348 242.844 -5.74347 45.9658 35.1128 -62.4664 PRESSAVG: 2137600 8.03444 7.17031 -61.1034 7.17032 24.3482 3.41322 -61.1034 3.41316 4.54705 GPRESSAVG: 2137600 8.85438 5.66011 -61.324 8.35495 25.246 0.963782 -61.827 3.00923 2.981 TIMING: 2137600 CPU: 6196.79, 0.00287254/step Wall: 6196.79, 0.00287254/step, 2.28399 hours remaining, 208.871094 MB of memory in use. ENERGY: 2137600 737.6533 2087.3279 1925.0739 111.4534 -206160.3138 17913.0232 0.0000 0.0000 34148.1561 -149237.6261 298.2243 -183385.7821 -149149.8612 299.3359 -33.1758 0.0339 558437.9489 12.3099 12.3605 PRESSURE: 2137800 -282.554 -65.5447 18.1041 -65.5448 -35.0865 -67.7306 18.1041 -67.731 -108.246 GPRESSURE: 2137800 -234.77 -174.943 -28.3871 -12.6813 -8.91533 23.9793 10.2036 -67.5094 -85.4186 PRESSAVG: 2137800 -14.9451 38.382 -61.2932 38.3821 3.35212 -51.4222 -61.2932 -51.4223 -18.3848 GPRESSAVG: 2137800 -14.5489 39.2644 -63.5647 39.5037 3.20869 -49.2797 -58.3942 -51.3516 -18.5031 TIMING: 2137800 CPU: 6197.36, 0.00287982/step Wall: 6197.36, 0.00287982/step, 2.28962 hours remaining, 208.871094 MB of memory in use. ENERGY: 2137800 733.8615 2109.9799 1936.9510 99.1733 -206042.6100 17685.0402 0.0000 0.0000 34186.9352 -149290.6689 298.5630 -183477.6040 -149196.5372 298.7135 -141.9623 -109.7014 558481.6008 -9.9926 -9.9478 PRESSURE: 2138000 -62.4044 23.6312 -84.2798 23.6317 46.1636 -131.264 -84.2797 -131.265 218.238 GPRESSURE: 2138000 20.5453 3.99109 -91.3453 22.2339 117.548 -109.881 -25.1183 -107.595 168.713 PRESSAVG: 2138000 32.9727 -16.6201 -49.4663 -16.62 -42.3292 -40.5135 -49.4664 -40.5135 12.4406 GPRESSAVG: 2138000 32.8007 -17.4753 -48.3131 -17.1729 -43.7676 -41.0686 -51.3476 -39.1782 14.3063 TIMING: 2138000 CPU: 6197.94, 0.00287838/step Wall: 6197.94, 0.00287838/step, 2.28831 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2138000 700.0481 2095.4532 1966.2236 124.9803 -206083.4695 17763.4489 0.0000 0.0000 34137.4073 -149295.9081 298.1305 -183433.3154 -149199.7344 299.4861 67.3325 102.2687 557478.0412 1.0280 1.1131 PRESSURE: 2138200 19.4187 -108.036 33.7437 -108.035 -121.341 -188.955 33.7437 -188.953 -102.24 GPRESSURE: 2138200 -14.6361 -166.391 74.6868 -102.754 -100.923 -217.342 7.67446 -212.552 5.00423 PRESSAVG: 2138200 -2.52045 -8.82793 -70.4695 -8.82805 3.08816 -22.5538 -70.4694 -22.5537 27.1167 GPRESSAVG: 2138200 -3.48974 -10.0864 -67.8768 -10.2193 3.53356 -22.9268 -71.8775 -24.1372 27.5165 TIMING: 2138200 CPU: 6198.51, 0.00286906/step Wall: 6198.51, 0.00286906/step, 2.28075 hours remaining, 208.871094 MB of memory in use. ENERGY: 2138200 772.7085 2043.3911 1959.0006 112.8956 -206443.4442 17872.1426 0.0000 0.0000 34393.6978 -149289.6080 300.3687 -183683.3058 -149192.7126 299.1274 -68.0542 -36.8517 558444.8771 9.2281 9.1868 PRESSURE: 2138400 -294.513 30.2035 -29.0358 30.2038 -83.5984 -93.677 -29.0352 -93.6782 40.4033 GPRESSURE: 2138400 -214.652 109.297 17.6548 69.3277 -44.0222 -62.8826 -104.329 -69.8147 17.3964 PRESSAVG: 2138400 -69.7931 6.84461 -47.9033 6.84451 14.6174 -49.1729 -47.9033 -49.1729 82.6938 GPRESSAVG: 2138400 -68.1284 8.51086 -50.1695 8.07569 14.0434 -48.2307 -48.6473 -50.1395 81.4519 TIMING: 2138400 CPU: 6199.09, 0.00286999/step Wall: 6199.09, 0.00286999/step, 2.28133 hours remaining, 208.871094 MB of memory in use. ENERGY: 2138400 740.5261 2083.1352 1931.4917 104.1044 -205993.5609 17651.0682 0.0000 0.0000 34194.3159 -149288.9193 298.6275 -183483.2352 -149197.1835 300.1521 -112.5695 -80.4258 559116.8076 9.1727 9.1223 PRESSURE: 2138600 -231.971 101.639 2.95181 101.638 -14.2838 20.0453 2.95221 20.0448 -248.798 GPRESSURE: 2138600 -183.861 90.6828 -23.6782 125.844 -14.0858 10.3184 -16.2649 -30.4544 -203.08 PRESSAVG: 2138600 -7.24082 43.2581 21.8546 43.2581 -0.868201 17.8471 21.8547 17.8471 -5.88006 GPRESSAVG: 2138600 -7.77017 43.1051 22.7838 42.5003 1.2368 18.7536 23.8627 17.6584 -7.48283 TIMING: 2138600 CPU: 6199.66, 0.00288054/step Wall: 6199.66, 0.00288053/step, 2.28955 hours remaining, 208.871094 MB of memory in use. ENERGY: 2138600 722.5722 2029.5727 1962.8543 113.9863 -205630.1119 17468.2418 0.0000 0.0000 34115.5844 -149217.3002 297.9399 -183332.8846 -149118.4596 299.5423 -165.0178 -133.6756 559424.1416 -4.6630 -4.6721 PRESSURE: 2138800 -234.295 -188.697 -20.5575 -188.697 -33.5047 -159.04 -20.5564 -159.04 37.2339 GPRESSURE: 2138800 -163.629 -167.599 -91.9849 -285.371 -8.17499 -57.7043 90.5674 -145.758 44.4469 PRESSAVG: 2138800 -26.2341 -1.68146 -87.6231 -1.68149 19.4083 -40.8235 -87.6231 -40.8235 -5.13201 GPRESSAVG: 2138800 -26.0103 -2.00395 -88.7481 0.353433 17.6904 -40.1387 -89.6052 -42.0034 -3.91318 TIMING: 2138800 CPU: 6200.24, 0.00287549/step Wall: 6200.24, 0.00287549/step, 2.28538 hours remaining, 208.871094 MB of memory in use. ENERGY: 2138800 755.7395 2046.6500 1931.1496 111.2452 -205929.5957 17435.1979 0.0000 0.0000 34381.7427 -149267.8708 300.2643 -183649.6136 -149175.1193 299.1128 -76.8552 -42.4525 557260.2663 -3.9859 -4.0777 PRESSURE: 2139000 -345.776 -2.44948 -22.8812 -2.45007 -169.235 11.2278 -22.8817 11.2266 -107.312 GPRESSURE: 2139000 -278.182 61.254 -82.9097 -11.2559 -159.499 79.7127 3.94263 -77.7621 -94.2906 PRESSAVG: 2139000 -113.618 -49.5248 -18.3633 -49.5247 19.0772 1.31512 -18.3633 1.3151 69.0344 GPRESSAVG: 2139000 -113.816 -47.7351 -17.8401 -51.6421 19.2126 -0.888522 -16.3853 4.56596 68.9369 TIMING: 2139000 CPU: 6200.81, 0.00287032/step Wall: 6200.81, 0.00287032/step, 2.2811 hours remaining, 208.871094 MB of memory in use. ENERGY: 2139000 776.8993 2064.2510 1968.5722 124.3910 -206106.3873 17804.0849 0.0000 0.0000 34089.2215 -149278.9673 297.7097 -183368.1888 -149181.1394 298.7218 -207.4408 -177.3237 559406.0966 -8.5020 -8.5555 PRESSURE: 2139200 -4.22296 123.355 46.4025 123.355 -108.356 64.8539 46.4038 64.8554 -242.258 GPRESSURE: 2139200 51.091 178.664 43.7283 193.61 -101.738 121.932 -1.12724 31.6216 -201.096 PRESSAVG: 2139200 47.2305 -18.9974 -38.3647 -18.9975 -4.40163 28.6115 -38.3647 28.6117 -26.0541 GPRESSAVG: 2139200 47.4689 -20.2268 -38.3715 -17.9176 -4.42969 28.1233 -37.561 28.3739 -26.0906 TIMING: 2139200 CPU: 6201.39, 0.0028926/step Wall: 6201.39, 0.0028926/step, 2.29865 hours remaining, 208.871094 MB of memory in use. ENERGY: 2139200 764.1272 2062.3374 1969.0083 111.9319 -205797.6964 17654.0965 0.0000 0.0000 34039.2127 -149196.9824 297.2729 -183236.1951 -149099.4166 298.9987 -118.2790 -83.9142 558376.1756 5.5916 5.6496 PRESSURE: 2139400 -168.632 124.931 -121.696 124.93 53.7174 -89.7819 -121.697 -89.7811 -241.467 GPRESSURE: 2139400 -88.8727 115.012 -75.7522 114.968 113.676 0.211961 -165.279 -134.541 -280.502 PRESSAVG: 2139400 2.88251 57.9392 -2.70952 57.9391 41.261 5.89691 -2.70966 5.89692 -23.0204 GPRESSAVG: 2139400 3.3245 59.4095 -2.97679 57.3198 42.1951 5.19166 -4.77535 6.04239 -23.9232 TIMING: 2139400 CPU: 6201.97, 0.0028721/step Wall: 6201.97, 0.0028721/step, 2.2822 hours remaining, 208.871094 MB of memory in use. ENERGY: 2139400 765.8387 2063.5475 1973.3625 106.1904 -206043.3269 17663.0012 0.0000 0.0000 34334.8992 -149136.4875 299.8552 -183471.3867 -149040.5713 298.9950 -118.7938 -85.2330 557331.2540 7.0410 7.1988 PRESSURE: 2139600 -36.5076 12.749 -127.233 12.7487 78.8369 13.2033 -127.233 13.2049 182.726 GPRESSURE: 2139600 -35.6388 -68.6659 -179.778 -20.3425 119.269 129.454 9.56426 25.2768 234.779 PRESSAVG: 2139600 -47.832 15.8078 17.8967 15.8078 35.2277 -50.9513 17.8968 -50.9512 5.14579 GPRESSAVG: 2139600 -47.8671 13.8363 19.0204 17.2376 34.2202 -49.3903 18.3714 -51.0625 6.25573 TIMING: 2139600 CPU: 6202.55, 0.00289713/step Wall: 6202.55, 0.00289713/step, 2.30193 hours remaining, 208.871094 MB of memory in use. ENERGY: 2139600 745.1013 2077.8763 1954.2387 111.7448 -206464.9897 18141.4306 0.0000 0.0000 34264.5634 -149170.0347 299.2410 -183434.5980 -149069.9516 299.5617 75.0184 106.1363 558238.8657 -2.4862 -2.4637 PRESSURE: 2139800 -31.5856 95.8415 119.665 95.8425 117.097 84.5793 119.666 84.5801 173.603 GPRESSURE: 2139800 33.724 85.1592 183.238 144.547 134.851 55.2943 116.718 91.3696 193.42 PRESSAVG: 2139800 -45.544 37.1763 49.9102 37.1763 37.7957 -4.4694 49.9102 -4.46929 -1.76967 GPRESSAVG: 2139800 -45.3255 37.643 51.0416 35.6206 38.3565 -4.09716 48.6839 -6.11009 -2.10358 TIMING: 2139800 CPU: 6203.12, 0.00289363/step Wall: 6203.12, 0.00289363/step, 2.29899 hours remaining, 208.871094 MB of memory in use. ENERGY: 2139800 735.3884 2096.6659 1969.4060 117.1679 -206278.8179 17846.8303 0.0000 0.0000 34196.1231 -149317.2363 298.6432 -183513.3594 -149231.6791 298.8724 86.3716 120.6651 556138.8067 -3.1727 -3.0242 PRESSURE: 2140000 21.5021 -0.2903 -49.233 -0.290641 196.927 -150.613 -49.2324 -150.611 39.2639 GPRESSURE: 2140000 25.5669 -38.0188 55.5032 57.3495 280.275 -116.042 -98.2434 -128.782 36.8773 PRESSAVG: 2140000 -44.0461 20.7062 -10.6984 20.7063 77.9482 -0.77365 -10.6983 -0.773707 -38.8923 GPRESSAVG: 2140000 -44.374 18.9298 -11.5381 20.8597 78.5153 -2.98415 -9.05832 -0.0678061 -38.4869 TIMING: 2140000 CPU: 6203.7, 0.00290071/step Wall: 6203.7, 0.00290071/step, 2.30445 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2140000 785.2675 2098.8191 1942.8623 122.1801 -206470.2560 18042.9313 0.0000 0.0000 34289.9065 -149188.2891 299.4623 -183478.1956 -149091.5317 299.5151 85.8975 114.2396 557259.2773 -1.6634 -1.4485 PRESSURE: 2140200 -9.95477 -68.758 -85.0487 -68.7569 -155.693 -22.7491 -85.0466 -22.7488 -59.4899 GPRESSURE: 2140200 -18.196 -54.6423 -45.2299 -172.206 -73.9904 -2.4104 -141.182 -93.7653 -25.637 PRESSAVG: 2140200 -71.4279 1.36464 45.9434 1.36464 84.4809 31.3935 45.9434 31.3934 7.95115 GPRESSAVG: 2140200 -71.377 1.39652 45.814 1.49615 84.676 33.0315 45.4217 30.7022 7.60531 TIMING: 2140200 CPU: 6204.28, 0.00286553/step Wall: 6204.28, 0.00286553/step, 2.27635 hours remaining, 208.871094 MB of memory in use. ENERGY: 2140200 720.6640 2078.3132 1945.1153 109.7998 -205892.7484 17546.5706 0.0000 0.0000 34309.9888 -149182.2967 299.6377 -183492.2855 -149082.5460 299.5709 -75.0460 -39.2745 556950.0804 7.0014 6.9681 LDB: ============= START OF LOAD BALANCING ============== 6207.66 LDB: ============== END OF LOAD BALANCING =============== 6207.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6207.66 LDB: ============= START OF LOAD BALANCING ============== 6207.95 LDB: Largest compute 4820 load 0.024319 is 20.6% of average load 0.117859 LDB: Average compute 0.001733 is 1.5% of average load 0.117859 LDB: TIME 6207.95 LOAD: AVG 0.117859 MAX 0.180742 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.523 MB LDB: TIME 6207.95 LOAD: AVG 0.117859 MAX 0.180742 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: TIME 6207.95 LOAD: AVG 0.117859 MAX 0.180742 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6207.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6207.96 PRESSURE: 2140400 92.2305 -54.4968 50.8718 -54.4959 -175.607 -102.147 50.8716 -102.147 -192.734 GPRESSURE: 2140400 76.6229 -64.4206 59.5962 -86.5089 -106.606 -33.6745 56.1552 -177.05 -135.692 PRESSAVG: 2140400 -27.9932 1.14666 22.9896 1.14659 94.5103 -1.09065 22.9896 -1.09073 -11.1041 GPRESSAVG: 2140400 -28.2323 3.65946 22.8657 0.614634 93.8016 -1.23984 23.7797 -1.99767 -10.2031 TIMING: 2140400 CPU: 6204.86, 0.00292538/step Wall: 6204.86, 0.00292538/step, 2.32372 hours remaining, 209.550781 MB of memory in use. ENERGY: 2140400 741.1957 2017.4804 1976.5700 117.6217 -205630.4895 17401.9582 0.0000 0.0000 34162.2972 -149213.3665 298.3478 -183375.6637 -149119.1810 299.2621 -92.0370 -55.2251 557208.7986 18.4710 18.4554 PRESSURE: 2140600 -39.077 -153.703 140.432 -153.703 6.60569 -96.4415 140.432 -96.4423 29.874 GPRESSURE: 2140600 -4.58611 -123.244 140.548 -153.84 59.54 -125.773 97.3218 -121.254 38.8867 PRESSAVG: 2140600 -38.6617 18.895 54.699 18.8951 6.88935 -48.1321 54.699 -48.1321 18.5249 GPRESSAVG: 2140600 -37.0834 16.5745 57.3688 19.5701 6.78135 -48.0796 52.688 -47.3029 17.3852 TIMING: 2140600 CPU: 6205.44, 0.00287862/step Wall: 6205.44, 0.00287862/step, 2.28642 hours remaining, 209.621094 MB of memory in use. ENERGY: 2140600 740.5806 2123.7481 1948.7326 116.2678 -206049.4553 17648.5678 0.0000 0.0000 34206.7177 -149264.8406 298.7358 -183471.5583 -149176.0288 299.0035 -0.8658 31.2802 557585.8721 -4.4158 -4.3056 PRESSURE: 2140800 -178.2 -79.2859 212.167 -79.2859 -47.5362 11.2412 212.169 11.2405 -73.6132 GPRESSURE: 2140800 -134.528 -72.8934 170.769 -114.799 -44.0215 2.83896 233.186 97.0106 -8.20011 PRESSAVG: 2140800 -33.1392 -57.6696 80.4019 -57.6695 41.8988 -2.81449 80.4019 -2.81465 -39.4265 GPRESSAVG: 2140800 -34.9076 -55.7805 79.1846 -58.2327 43.2628 -4.33899 83.0822 -1.79096 -39.3316 TIMING: 2140800 CPU: 6206.01, 0.00288208/step Wall: 6206.01, 0.00288208/step, 2.28901 hours remaining, 209.621094 MB of memory in use. ENERGY: 2140800 754.5406 2095.5027 1930.3897 118.7531 -206003.3805 17645.3104 0.0000 0.0000 34140.5309 -149318.3532 298.1577 -183458.8841 -149226.2191 299.1654 -99.7830 -62.2498 557630.8033 -10.2223 -10.3255 PRESSURE: 2141000 101.251 -23.313 -89.0413 -23.312 -281.469 5.108 -89.0409 5.10831 -266.126 GPRESSURE: 2141000 67.0799 -103.322 -49.8237 78.3324 -216.478 -23.3902 -127.659 -72.6716 -199.659 PRESSAVG: 2141000 27.2237 -17.8503 18.972 -17.8503 19.8623 -43.8464 18.9719 -43.8465 -53.5037 GPRESSAVG: 2141000 27.8764 -19.4484 18.7978 -17.2868 19.9871 -42.6704 19.2142 -44.131 -54.3315 TIMING: 2141000 CPU: 6206.59, 0.00289545/step Wall: 6206.59, 0.00289545/step, 2.29947 hours remaining, 209.621094 MB of memory in use. ENERGY: 2141000 720.6848 2096.3361 1963.1592 123.2226 -206434.3120 17709.8458 0.0000 0.0000 34358.7268 -149462.3368 300.0633 -183821.0635 -149369.3191 298.1688 -148.7815 -116.3524 557598.7888 -2.1392 -2.1560 PRESSURE: 2141200 116.991 102.84 -144.808 102.839 248.761 171.713 -144.808 171.712 335.488 GPRESSURE: 2141200 158.471 187.551 -67.5387 42.1513 315.704 147.239 -206.16 286.044 320.081 PRESSAVG: 2141200 34.7405 16.8712 -34.5416 16.8711 -5.32715 -17.0865 -34.5417 -17.0866 0.535154 GPRESSAVG: 2141200 35.2815 15.5726 -35.9482 18.8576 -5.28495 -15.7766 -35.9274 -16.2939 0.467205 TIMING: 2141200 CPU: 6207.17, 0.00288421/step Wall: 6207.17, 0.00288421/step, 2.29038 hours remaining, 209.621094 MB of memory in use. ENERGY: 2141200 726.7351 2068.6068 1934.6121 111.4775 -206681.6802 18182.5821 0.0000 0.0000 34102.5221 -149555.1445 297.8258 -183657.6666 -149466.3093 298.2111 233.7466 264.7521 554297.3649 9.9828 10.1546 PRESSURE: 2141400 -109.03 92.866 254.684 92.8662 -472.378 207.475 254.684 207.475 -7.36759 GPRESSURE: 2141400 -116.925 55.704 222.019 123.545 -443.692 229.375 174.907 82.0952 80.7038 PRESSAVG: 2141400 -40.999 11.1538 19.6389 11.1539 -5.84567 4.36463 19.639 4.36461 23.5065 GPRESSAVG: 2141400 -40.3515 14.6566 19.0161 7.2697 -6.79952 4.62572 19.9119 4.15878 23.4054 TIMING: 2141400 CPU: 6207.75, 0.00289125/step Wall: 6207.75, 0.00289125/step, 2.29581 hours remaining, 209.621094 MB of memory in use. ENERGY: 2141400 757.2919 2068.7523 1941.0646 122.1490 -206266.5483 17599.3967 0.0000 0.0000 34343.1085 -149434.7854 299.9269 -183777.8939 -149336.9779 298.1242 -196.2584 -159.9710 555816.3267 -7.7794 -7.9152 PRESSURE: 2141600 -195.684 93.5571 -49.618 93.5562 -261.765 145.468 -49.618 145.469 -105.345 GPRESSURE: 2141600 -190.256 114.947 -50.8799 101.902 -226.378 30.5427 -4.45967 192.409 -37.1798 PRESSAVG: 2141600 -13.0261 14.5005 51.287 14.5005 -13.8981 21.1529 51.287 21.1529 -5.87317 GPRESSAVG: 2141600 -13.327 12.4219 52.4425 15.2029 -13.9621 19.3125 51.9554 21.271 -6.28557 TIMING: 2141600 CPU: 6208.32, 0.00288031/step Wall: 6208.32, 0.00288031/step, 2.28697 hours remaining, 209.621094 MB of memory in use. ENERGY: 2141600 735.8187 2088.7122 1938.4197 114.8116 -206262.4533 17551.5699 0.0000 0.0000 34311.8306 -149521.2907 299.6538 -183833.1212 -149427.1720 298.9916 -187.5977 -151.2712 554739.2632 -10.9325 -11.1915 PRESSURE: 2141800 -23.2707 176.18 -116.65 176.181 -38.7983 196.941 -116.651 196.939 -78.3552 GPRESSURE: 2141800 -6.14432 38.3197 -205.724 250.594 6.05412 183.747 -118.5 211.77 -52.7656 PRESSAVG: 2141800 19.256 -22.9584 9.69781 -22.9584 53.1375 30.1032 9.69783 30.1032 -57.4047 GPRESSAVG: 2141800 18.1317 -24.8075 8.70554 -20.6477 53.1428 29.6452 10.4093 30.5156 -56.1332 TIMING: 2141800 CPU: 6208.9, 0.00287092/step Wall: 6208.9, 0.00287092/step, 2.27935 hours remaining, 209.820312 MB of memory in use. ENERGY: 2141800 750.7804 2068.0387 1947.0281 102.0523 -206088.4740 17778.4914 0.0000 0.0000 34027.8869 -149414.1962 297.1740 -183442.0831 -149321.2960 298.9580 -46.8081 -17.6186 556022.2192 4.9963 5.0471 PRESSURE: 2142000 -89.6176 103.593 -22.7437 103.593 245.019 81.1662 -22.7428 81.1669 -224.386 GPRESSURE: 2142000 4.20155 80.4486 -47.9843 74.0784 268.449 76.2762 108.829 140.234 -241.824 PRESSAVG: 2142000 -33.7638 7.1689 24.9772 7.16881 -30.22 29.6135 24.9771 29.6135 47.9645 GPRESSAVG: 2142000 -33.1542 9.23873 25.8671 6.99965 -30.4963 31.922 24.1643 27.2372 48.2345 TIMING: 2142000 CPU: 6209.48, 0.00290663/step Wall: 6209.48, 0.00290663/step, 2.30754 hours remaining, 209.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2142000 720.2241 2081.8540 1960.2221 110.8450 -206385.9829 17815.8138 0.0000 0.0000 34336.4136 -149360.6102 299.8684 -183697.0239 -149265.7739 298.6025 -22.9949 10.2757 557052.4655 -5.3397 -5.1387 PRESSURE: 2142200 -127.4 142.483 -75.2254 142.485 97.6061 -61.4976 -75.2255 -61.497 85.8964 GPRESSURE: 2142200 -104.12 106.559 -13.5744 109.156 136.007 -9.73782 -92.5739 -145.583 118.423 PRESSAVG: 2142200 -15.3765 19.6823 -17.1356 19.6822 23.6745 24.9262 -17.1356 24.9262 19.132 GPRESSAVG: 2142200 -13.5861 19.853 -16.8939 18.5877 23.1021 24.741 -21.4112 26.4372 17.6946 TIMING: 2142200 CPU: 6210.06, 0.00292258/step Wall: 6210.06, 0.00292258/step, 2.32004 hours remaining, 209.820312 MB of memory in use. ENERGY: 2142200 744.8958 2042.2677 1929.8267 106.9783 -206243.9572 17763.1984 0.0000 0.0000 34360.7715 -149296.0188 300.0812 -183656.7903 -149198.2137 298.7117 18.7008 50.1032 555928.0167 9.1433 9.0702 PRESSURE: 2142400 11.4864 -117.322 -61.553 -117.322 -186.373 223.007 -61.5532 223.006 18.5494 GPRESSURE: 2142400 20.1757 -55.247 -54.1886 -136.608 -162.859 136.361 -36.3028 180.38 88.6911 PRESSAVG: 2142400 40.9893 -43.372 28.2061 -43.3721 -34.6539 24.6948 28.2061 24.6948 13.4557 GPRESSAVG: 2142400 39.2224 -40.927 27.1871 -41.6189 -33.9431 24.0757 30.5153 23.0357 14.4417 TIMING: 2142400 CPU: 6210.65, 0.00292368/step Wall: 6210.65, 0.00292368/step, 2.32075 hours remaining, 209.820312 MB of memory in use. ENERGY: 2142400 756.1104 2058.0911 1949.6079 113.6105 -206057.4299 17682.2715 0.0000 0.0000 34375.8784 -149121.8602 300.2131 -183497.7386 -149029.6440 299.2493 -52.1124 -17.9975 556595.8270 6.5971 6.5737 PRESSURE: 2142600 105.894 114.125 -134.902 114.123 194.352 15.6843 -134.903 15.6842 -240.801 GPRESSURE: 2142600 169.855 154.635 -167.015 63.569 261.437 -17.9675 -92.1281 20.2696 -261.733 PRESSAVG: 2142600 12.5601 37.0613 -18.335 37.0614 -20.6997 16.7204 -18.3349 16.7204 38.1684 GPRESSAVG: 2142600 13.2846 35.0678 -15.9153 36.9154 -20.4586 14.6983 -19.4313 18.0506 37.6648 TIMING: 2142600 CPU: 6211.22, 0.00287476/step Wall: 6211.22, 0.00287476/step, 2.28176 hours remaining, 209.820312 MB of memory in use. ENERGY: 2142600 712.0846 2129.8985 1936.4576 109.3000 -206023.1490 17818.4556 0.0000 0.0000 34255.5177 -149061.4350 299.1620 -183316.9527 -148961.0310 299.3868 19.8149 56.5198 556885.3001 10.0096 10.1636 PRESSURE: 2142800 239.693 -127.54 34.1191 -127.539 -86.6637 17.066 34.1188 17.065 -49.471 GPRESSURE: 2142800 237.656 -174.053 10.3719 -132.478 -1.19074 -9.09606 48.2744 111.741 -39.2648 PRESSAVG: 2142800 21.2584 30.1871 -64.3645 30.1871 -26.2103 -30.2183 -64.3645 -30.2182 9.83152 GPRESSAVG: 2142800 20.8497 30.7308 -65.9499 27.9802 -26.2531 -28.4666 -62.2148 -28.8474 10.4893 TIMING: 2142800 CPU: 6211.8, 0.00288026/step Wall: 6211.8, 0.00288026/step, 2.28597 hours remaining, 209.820312 MB of memory in use. ENERGY: 2142800 748.1277 2137.1321 1937.8671 111.4940 -206138.9440 17727.1083 0.0000 0.0000 34348.5976 -149128.6174 299.9748 -183477.2150 -149030.0824 300.2999 34.5195 65.7334 554696.9682 1.6266 1.6953 PRESSURE: 2143000 -91.1141 106.382 70.4737 106.384 -175.231 -36.2945 70.4753 -36.2942 23.1448 GPRESSURE: 2143000 -8.37908 154.699 54.4949 51.8004 -192.216 29.5998 78.8745 -4.39279 54.0855 PRESSAVG: 2143000 31.1592 -20.6855 15.0522 -20.6854 -62.748 34.4233 15.0522 34.4232 40.7711 GPRESSAVG: 2143000 31.735 -20.2593 14.8396 -19.94 -62.4282 35.1055 15.0788 33.1015 40.7129 TIMING: 2143000 CPU: 6212.38, 0.00289926/step Wall: 6212.38, 0.00289926/step, 2.30088 hours remaining, 209.820312 MB of memory in use. ENERGY: 2143000 746.0136 2099.2596 1939.4515 108.6584 -205483.5211 17353.3257 0.0000 0.0000 34100.3715 -149136.4407 297.8070 -183236.8122 -149038.1995 299.5630 -81.0668 -48.8364 555760.6079 3.0608 3.3399 PRESSURE: 2143200 105.157 57.4647 -118.045 57.4639 256.09 -59.8805 -118.045 -59.8796 28.6622 GPRESSURE: 2143200 159.248 101.392 -120.838 30.6623 291.948 -24.628 -118.698 -9.75249 42.2341 PRESSAVG: 2143200 -12.4976 -12.5076 25.0457 -12.5075 -22.0229 30.6774 25.0456 30.6774 3.10553 GPRESSAVG: 2143200 -12.508 -14.6081 26.4491 -10.5049 -21.2786 31.4807 24.617 29.7826 2.80702 TIMING: 2143200 CPU: 6212.95, 0.0028658/step Wall: 6212.95, 0.0028658/step, 2.27417 hours remaining, 209.820312 MB of memory in use. ENERGY: 2143200 782.1573 2051.4513 1932.1442 105.3448 -206209.6840 17976.6282 0.0000 0.0000 34147.6152 -149214.3431 298.2196 -183361.9583 -149119.2262 299.2992 129.9695 164.4767 556525.3969 -10.4717 -10.3265 PRESSURE: 2143400 50.0185 48.2951 15.112 48.2956 77.8316 32.2178 15.1132 32.216 389.439 GPRESSURE: 2143400 40.1706 51.8242 41.2999 -39.7438 99.4149 45.5134 -10.0504 49.5624 466.388 PRESSAVG: 2143400 -27.7419 -42.884 -41.5568 -42.8841 -3.44056 72.4402 -41.5567 72.4402 51.8102 GPRESSAVG: 2143400 -27.2554 -43.2054 -42.8841 -44.3737 -3.83189 71.2721 -41.6279 73.2763 51.854 TIMING: 2143400 CPU: 6213.53, 0.00288199/step Wall: 6213.53, 0.00288199/step, 2.28686 hours remaining, 209.820312 MB of memory in use. ENERGY: 2143400 722.9314 2080.8263 1941.9642 120.3762 -206498.1385 18065.5009 0.0000 0.0000 34421.7737 -149144.7659 300.6139 -183566.5395 -149048.2382 299.6651 172.4295 201.9910 556763.5454 6.8759 6.9222 PRESSURE: 2143600 -98.7359 12.9741 -68.2469 12.9744 -57.8983 40.2316 -68.248 40.2301 -34.8788 GPRESSURE: 2143600 -54.3938 20.9808 18.6895 85.3455 -66.4487 39.2719 -124.49 9.15469 29.0599 PRESSAVG: 2143600 -31.3298 -50.7706 -2.02071 -50.7706 -17.5549 52.6962 -2.02078 52.6962 42.0418 GPRESSAVG: 2143600 -31.2789 -52.1324 -1.09999 -50.9208 -17.4602 53.6038 -0.939248 53.8076 42.3155 TIMING: 2143600 CPU: 6214.1, 0.00286807/step Wall: 6214.1, 0.00286807/step, 2.27566 hours remaining, 209.820312 MB of memory in use. ENERGY: 2143600 761.8478 2092.8215 1945.4244 119.9289 -206282.0234 17947.0557 0.0000 0.0000 34222.3715 -149192.5737 298.8725 -183414.9452 -149087.5357 299.9526 -63.8377 -30.5942 558148.8300 -2.2810 -2.1412 PRESSURE: 2143800 30.4162 -22.1802 17.3528 -22.18 68.3789 109.414 17.3518 109.414 -29.5487 GPRESSURE: 2143800 33.0594 -49.9946 77.7471 0.937624 102.046 6.95727 -12.4013 107.272 29.0364 PRESSAVG: 2143800 -9.52051 3.84294 34.3618 3.8429 31.1084 48.8939 34.3617 48.894 -47.5164 GPRESSAVG: 2143800 -10.6965 5.09532 34.2 3.81238 32.0042 46.2045 32.7755 47.6212 -47.0801 TIMING: 2143800 CPU: 6214.68, 0.00287589/step Wall: 6214.68, 0.00287589/step, 2.2817 hours remaining, 209.820312 MB of memory in use. ENERGY: 2143800 743.9323 2126.5415 1941.3744 120.5711 -205960.0532 17838.0490 0.0000 0.0000 34155.8487 -149033.7361 298.2915 -183189.5849 -148948.4606 300.2820 23.0821 54.7140 557172.7148 -8.6428 -8.5908 PRESSURE: 2144000 107.645 -311.767 0.43455 -311.768 -33.3468 289.468 0.435027 289.469 -510.597 GPRESSURE: 2144000 123.695 -261.198 40.7818 -348.767 17.5831 300.133 -20.4481 164.984 -485.098 PRESSAVG: 2144000 -3.20033 12.9157 -34.0861 12.9157 60.0736 20.6842 -34.0861 20.6842 -74.9041 GPRESSAVG: 2144000 -2.19571 14.0881 -34.6466 13.9973 59.6936 22.6656 -33.2731 20.3007 -75.2432 TIMING: 2144000 CPU: 6215.26, 0.00289255/step Wall: 6215.26, 0.00289255/step, 2.29476 hours remaining, 209.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2144000 761.9905 2075.6321 1946.5084 113.7408 -206009.6975 17716.9996 0.0000 0.0000 34414.5851 -148980.2409 300.5511 -183394.8260 -148883.8262 299.7953 -145.4328 -114.6069 558393.4176 -6.0103 -5.9151 PRESSURE: 2144200 73.4768 24.2575 -18.7274 24.2567 120.292 -84.9348 -18.7273 -84.9346 -85.9297 GPRESSURE: 2144200 46.365 79.4497 15.0956 7.97546 131.879 -103.939 17.6116 -90.287 20.3924 PRESSAVG: 2144200 -18.8582 29.9825 23.715 29.9824 101.582 15.1055 23.7151 15.1054 -13.271 GPRESSAVG: 2144200 -19.7746 28.6218 26.4038 29.6983 102.159 13.3504 20.8328 14.5095 -12.6392 TIMING: 2144200 CPU: 6215.83, 0.002869/step Wall: 6215.83, 0.002869/step, 2.27591 hours remaining, 209.820312 MB of memory in use. ENERGY: 2144200 785.1169 2038.8230 1919.0201 112.7148 -206201.4702 17805.7304 0.0000 0.0000 34535.4960 -149004.5690 301.6071 -183540.0650 -148905.7500 300.6401 35.9465 66.2120 557176.3237 23.1508 23.2485 LDB: ============= START OF LOAD BALANCING ============== 6219.22 LDB: ============== END OF LOAD BALANCING =============== 6219.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6219.22 LDB: ============= START OF LOAD BALANCING ============== 6219.51 LDB: Largest compute 4820 load 0.024639 is 20.9% of average load 0.117950 LDB: Average compute 0.001736 is 1.5% of average load 0.117950 LDB: TIME 6219.51 LOAD: AVG 0.11795 MAX 0.179283 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.934 MB LDB: TIME 6219.51 LOAD: AVG 0.11795 MAX 0.179283 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.004 MB LDB: TIME 6219.51 LOAD: AVG 0.11795 MAX 0.179283 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.004 MB LDB: ============== END OF LOAD BALANCING =============== 6219.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6219.51 PRESSURE: 2144400 -180.216 22.8163 47.2849 22.8164 -145.758 -68.4773 47.284 -68.4772 -414.278 GPRESSURE: 2144400 -154.473 -67.3699 93.0475 29.2562 -99.9708 -64.9123 -39.4415 -128.588 -379.434 PRESSAVG: 2144400 -29.5733 -9.16465 31.2876 -9.16457 12.0154 -38.5806 31.2876 -38.5805 -7.28973 GPRESSAVG: 2144400 -29.9817 -7.72974 29.4304 -10.4619 11.8374 -37.615 34.4141 -37.9238 -6.68278 TIMING: 2144400 CPU: 6216.42, 0.00294124/step Wall: 6216.42, 0.00294124/step, 2.33306 hours remaining, 208.511719 MB of memory in use. ENERGY: 2144400 783.0281 2076.1934 1935.3753 109.7935 -205638.2898 17444.9502 0.0000 0.0000 34315.5361 -148973.4131 299.6861 -183288.9492 -148877.6315 300.5503 -246.7505 -211.2928 558797.3786 -8.2826 -8.2757 PRESSURE: 2144600 -119.876 -105.095 -89.589 -105.096 -155.898 44.5445 -89.5891 44.5423 -109.254 GPRESSURE: 2144600 -97.9286 -30.3634 -81.7572 -199.221 -130.977 173.274 -121.156 -21.14 -67.6046 PRESSAVG: 2144600 -27.4392 -10.2131 -4.64691 -10.2131 49.3018 23.4016 -4.64685 23.4017 -22.801 GPRESSAVG: 2144600 -26.2449 -10.5092 -5.67111 -10.1224 50.223 24.167 -4.30166 24.5176 -24.8876 TIMING: 2144600 CPU: 6217, 0.00289594/step Wall: 6217, 0.00289594/step, 2.29696 hours remaining, 209.011719 MB of memory in use. ENERGY: 2144600 756.5662 2130.4350 1979.6762 115.7767 -206098.4724 17614.1507 0.0000 0.0000 34345.6593 -149156.2083 299.9492 -183501.8676 -149052.8541 299.9098 -128.3428 -98.8367 558045.2449 -0.3128 -0.3032 PRESSURE: 2144800 -138.169 -58.9189 -50.0934 -58.9185 -57.5246 28.7964 -50.0939 28.7948 82.5561 GPRESSURE: 2144800 -144.21 -30.5229 16.1002 -71.1922 -16.2377 53.8911 -125.765 -17.1909 143.926 PRESSAVG: 2144800 15.2012 44.498 -59.8811 44.498 13.8234 15.9744 -59.8811 15.9744 -23.3768 GPRESSAVG: 2144800 14.6347 43.2177 -59.0651 44.9016 14.2439 14.3312 -60.5098 15.1933 -22.3215 TIMING: 2144800 CPU: 6217.58, 0.00293068/step Wall: 6217.58, 0.00293068/step, 2.32436 hours remaining, 209.011719 MB of memory in use. ENERGY: 2144800 757.6989 2092.6484 1980.8656 119.3837 -205964.8083 17615.5047 0.0000 0.0000 34218.3872 -149180.3198 298.8377 -183398.7071 -149092.1042 299.3830 -37.7124 -5.5071 556413.1751 1.8826 2.1857 PRESSURE: 2145000 -51.8162 -96.1574 39.6145 -96.1593 -33.6975 73.1993 39.6132 73.2009 -277.12 GPRESSURE: 2145000 12.7051 -127.267 25.9817 -65.7708 -22.735 26.1692 58.8317 79.3982 -258.912 PRESSAVG: 2145000 -5.55049 30.6921 -27.1587 30.692 -50.1967 -2.40407 -27.1586 -2.40387 -5.02518 GPRESSAVG: 2145000 -5.00696 33.0277 -27.5981 30.7942 -49.5945 -0.920405 -26.5431 -2.53274 -5.98296 TIMING: 2145000 CPU: 6218.16, 0.00289293/step Wall: 6218.16, 0.00289293/step, 2.29426 hours remaining, 209.011719 MB of memory in use. ENERGY: 2145000 751.9772 2001.9154 1954.5024 116.2818 -205970.4778 17617.1005 0.0000 0.0000 34341.6991 -149187.0014 299.9146 -183528.7004 -149087.7965 299.2322 -120.8779 -89.6473 557387.7924 -20.2575 -20.1948 PRESSURE: 2145200 177.836 55.1974 19.2758 55.1985 -64.1327 -26.5944 19.276 -26.5942 -6.8685 GPRESSURE: 2145200 229.093 4.42114 19.4495 73.4886 -32.8426 19.4018 28.1033 -47.2662 -1.94053 PRESSAVG: 2145200 -5.21552 -35.4402 32.9572 -35.4402 20.4679 23.1347 32.9573 23.1347 -5.07873 GPRESSAVG: 2145200 -5.54155 -39.5627 33.7036 -31.3598 20.5448 23.7318 29.7828 22.5065 -5.10072 TIMING: 2145200 CPU: 6218.74, 0.00287826/step Wall: 6218.74, 0.00287825/step, 2.28246 hours remaining, 209.011719 MB of memory in use. ENERGY: 2145200 705.3476 2086.5097 1937.0575 108.4144 -205926.5728 17693.5634 0.0000 0.0000 34324.0677 -149071.6125 299.7606 -183395.6802 -148969.5111 299.5005 35.6115 64.7701 557437.4309 3.3912 3.3008 PRESSURE: 2145400 117.164 -9.76593 39.6076 -9.76706 3.64733 28.2339 39.6087 28.2334 52.1654 GPRESSURE: 2145400 196.73 -17.8345 23.7383 -6.2078 20.2292 -36.393 31.3858 9.78132 62.0789 PRESSAVG: 2145400 10.9778 -15.4778 56.6414 -15.4778 11.1123 -0.574893 56.6415 -0.574939 -37.7403 GPRESSAVG: 2145400 11.9624 -13.8393 57.1892 -19.6337 10.3084 -2.19189 57.1874 0.142901 -38.0008 TIMING: 2145400 CPU: 6219.32, 0.00288254/step Wall: 6219.32, 0.00288254/step, 2.28569 hours remaining, 209.011719 MB of memory in use. ENERGY: 2145400 753.6157 2077.5667 1979.1605 103.9726 -206055.5540 17818.2042 0.0000 0.0000 34376.6949 -148946.3395 300.2202 -183323.0343 -148850.7761 299.8952 57.6588 93.0126 556023.5235 -5.2168 -5.2433 PRESSURE: 2145600 -12.2625 -49.4448 6.3003 -49.4448 47.8497 5.60657 6.29997 5.60593 -117.083 GPRESSURE: 2145600 -42.0564 -64.8277 22.0483 -1.27529 165.654 -53.247 29.5475 16.7792 -88.423 PRESSAVG: 2145600 47.265 5.80732 -23.0754 5.80733 -4.38288 -30.4735 -23.0754 -30.4734 -25.6874 GPRESSAVG: 2145600 46.0483 5.96214 -23.2977 6.55919 -4.38628 -29.5742 -21.1559 -30.0781 -24.5656 TIMING: 2145600 CPU: 6219.89, 0.00288171/step Wall: 6219.89, 0.0028817/step, 2.28487 hours remaining, 209.011719 MB of memory in use. ENERGY: 2145600 727.2780 2084.9390 1938.2373 116.6481 -205536.3247 17490.5687 0.0000 0.0000 34271.2201 -148907.4334 299.2991 -183178.6535 -148809.4547 300.1447 -27.1653 11.7249 557154.5499 5.7316 5.6988 PRESSURE: 2145800 -164.539 16.4014 -108.885 16.402 -6.31735 21.8849 -108.886 21.8857 -52.6801 GPRESSURE: 2145800 -119.791 -59.5194 -102.71 -19.7659 -13.5993 91.4456 -167.124 -56.6457 1.89414 PRESSAVG: 2145800 -48.0837 -36.8399 2.63486 -36.8398 -26.8085 -44.4114 2.63479 -44.4114 69.7923 GPRESSAVG: 2145800 -48.0245 -37.1331 2.14344 -37.7713 -26.534 -46.0841 1.62161 -43.6355 69.3973 TIMING: 2145800 CPU: 6220.46, 0.0028626/step Wall: 6220.46, 0.0028626/step, 2.26957 hours remaining, 209.011719 MB of memory in use. ENERGY: 2145800 761.1307 2052.1953 1948.0763 115.1841 -206023.1386 17868.3427 0.0000 0.0000 34229.0779 -149049.1314 298.9311 -183278.2094 -148951.7201 299.6764 -74.5121 -43.8320 557127.7552 -1.7000 -1.7204 PRESSURE: 2146000 -48.1721 -9.58662 -11.3654 -9.58597 -35.9775 -88.059 -11.3658 -88.0586 -81.2169 GPRESSURE: 2146000 -49.4477 4.20759 1.38266 26.6665 -12.3671 -100.243 -15.7833 -52.3353 -12.6232 PRESSAVG: 2146000 -38.1776 -2.6216 11.7527 -2.62161 11.5929 -43.0364 11.7528 -43.0365 -27.2968 GPRESSAVG: 2146000 -37.8257 -2.92139 13.0596 -3.43678 10.9256 -41.4354 10.9632 -42.8519 -26.6873 TIMING: 2146000 CPU: 6221.04, 0.00285973/step Wall: 6221.04, 0.00285973/step, 2.26713 hours remaining, 209.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2146000 773.2802 2096.1536 1939.7806 107.0772 -206247.6753 17848.9262 0.0000 0.0000 34466.2888 -149016.1686 301.0027 -183482.4574 -148935.4032 299.8130 -55.1222 -24.8127 559072.2357 -17.9605 -17.8625 PRESSURE: 2146200 101.88 -10.956 29.2251 -10.9571 30.4589 -16.8997 29.2243 -16.899 -136.612 GPRESSURE: 2146200 115.241 43.0534 34.2162 -38.8074 43.9907 8.6603 69.2778 1.10584 -80.768 PRESSAVG: 2146200 21.6832 61.4464 51.6132 61.4464 -1.37584 76.0548 51.6132 76.0548 8.07943 GPRESSAVG: 2146200 20.9116 64.1839 50.9026 60.6855 -0.0752692 76.2782 52.5526 75.6042 6.84871 TIMING: 2146200 CPU: 6221.61, 0.0028469/step Wall: 6221.61, 0.0028469/step, 2.2568 hours remaining, 209.011719 MB of memory in use. ENERGY: 2146200 752.3515 2083.0154 1964.0219 118.1057 -206106.0507 17850.7356 0.0000 0.0000 34303.8650 -149033.9555 299.5842 -183337.8206 -148935.6692 299.9738 -1.4246 26.1545 558089.6429 9.4622 9.2283 PRESSURE: 2146400 10.9095 -142.937 61.687 -142.937 -177.238 38.3189 61.6881 38.3197 -143.148 GPRESSURE: 2146400 25.1562 -137.024 95.5764 -149.893 -66.9244 -81.2152 14.6362 46.1025 -165.82 PRESSAVG: 2146400 -21.4676 52.4387 -20.2438 52.4386 22.8865 -1.58306 -20.2439 -1.58311 3.80417 GPRESSAVG: 2146400 -20.737 49.9928 -21.4947 54.4802 21.8974 -2.40154 -19.5295 -1.15279 4.1437 TIMING: 2146400 CPU: 6222.18, 0.00286715/step Wall: 6222.18, 0.00286715/step, 2.27269 hours remaining, 209.011719 MB of memory in use. ENERGY: 2146400 767.0826 2101.1270 1943.2103 118.3285 -205827.8137 17575.4295 0.0000 0.0000 34466.8888 -148855.7471 301.0079 -183322.6359 -148760.9605 300.0962 -103.1590 -69.1962 557647.4298 1.7410 1.7680 PRESSURE: 2146600 -34.0137 111.886 6.12856 111.886 -201.283 7.56974 6.12993 7.56902 -28.7743 GPRESSURE: 2146600 48.4115 120.136 -22.1312 136.058 -210.767 90.3093 -45.9811 -64.6093 -11.889 PRESSAVG: 2146600 64.47 22.7371 -4.89281 22.7371 34.3658 -18.305 -4.89278 -18.305 -81.3742 GPRESSAVG: 2146600 64.2612 23.2049 -1.57579 23.0095 34.7837 -15.1077 -5.16257 -20.9008 -81.0723 TIMING: 2146600 CPU: 6222.76, 0.00288481/step Wall: 6222.76, 0.00288481/step, 2.28653 hours remaining, 209.011719 MB of memory in use. ENERGY: 2146600 783.2781 2100.8781 1937.6077 110.2109 -205733.3298 17554.6738 0.0000 0.0000 34363.3924 -148883.2889 300.1041 -183246.6813 -148793.1741 300.5593 -88.0236 -58.0817 558389.0631 5.8205 5.9909 PRESSURE: 2146800 33.0811 23.5504 207.327 23.5499 -21.2099 -70.1987 207.327 -70.1971 -324.569 GPRESSURE: 2146800 33.8003 38.4641 205.264 -7.55866 -0.0662962 -111.724 138.858 -14.0399 -246.326 PRESSAVG: 2146800 -29.3686 -6.51753 -25.5655 -6.51753 35.4177 -26.3045 -25.5655 -26.3044 1.84269 GPRESSAVG: 2146800 -29.6381 -6.15081 -27.3105 -7.22903 34.813 -29.204 -25.5429 -26.1942 2.61062 TIMING: 2146800 CPU: 6223.34, 0.0029083/step Wall: 6223.34, 0.0029083/step, 2.30499 hours remaining, 209.011719 MB of memory in use. ENERGY: 2146800 753.6310 2090.9889 1954.2149 119.3825 -205893.9919 17612.5475 0.0000 0.0000 34358.6078 -149004.6194 300.0623 -183363.2272 -148899.3582 300.1024 -104.2325 -70.8640 558426.4427 2.6306 2.5952 PRESSURE: 2147000 31.745 -114.693 -19.6313 -114.693 -89.4807 -100.47 -19.6311 -100.47 -134.492 GPRESSURE: 2147000 41.4447 -79.3404 10.2289 -129.797 -19.99 -70.779 -19.7559 -135.337 -108.556 PRESSAVG: 2147000 45.4933 29.2903 28.7267 29.2904 -37.7769 56.6976 28.7267 56.6976 -19.7924 GPRESSAVG: 2147000 45.926 26.3141 28.594 30.1944 -37.6431 57.847 28.27 58.3577 -20.2987 TIMING: 2147000 CPU: 6223.91, 0.00288327/step Wall: 6223.91, 0.00288327/step, 2.28499 hours remaining, 209.011719 MB of memory in use. ENERGY: 2147000 790.2406 2113.3183 1968.3733 104.2981 -206044.3632 17777.9951 0.0000 0.0000 34359.8490 -148930.2887 300.0731 -183290.1378 -148841.5184 300.3460 -64.0759 -29.0339 558264.2534 -4.0253 -4.0053 PRESSURE: 2147200 73.828 69.5583 53.808 69.557 -384.534 -7.90074 53.8066 -7.90261 -113.75 GPRESSURE: 2147200 57.8808 11.4849 4.98515 124.695 -304.647 -13.3176 130.836 44.1985 -74.9243 PRESSAVG: 2147200 -36.0414 8.83968 -7.8494 8.83972 11.3418 18.5195 -7.84938 18.5195 10.3724 GPRESSAVG: 2147200 -36.0009 10.9639 -10.1601 9.0904 11.633 18.9801 -5.5436 18.9197 9.17442 TIMING: 2147200 CPU: 6224.5, 0.00290751/step Wall: 6224.5, 0.00290751/step, 2.30404 hours remaining, 209.011719 MB of memory in use. ENERGY: 2147200 756.5940 2059.2215 1941.3005 120.5247 -205760.7537 17502.5385 0.0000 0.0000 34495.4285 -148885.1460 301.2572 -183380.5745 -148792.5179 300.5985 -141.4854 -107.2302 559307.7442 -4.7757 -5.0645 PRESSURE: 2147400 -137.142 80.7732 63.8023 80.7727 -38.0623 89.1452 63.8037 89.1443 -286.089 GPRESSURE: 2147400 -78.4822 24.1067 233.747 99.7353 -34.6437 167.789 25.7423 -11.6246 -253.943 PRESSAVG: 2147400 24.729 69.4285 20.0315 69.4285 -45.727 20.8045 20.0315 20.8044 19.9232 GPRESSAVG: 2147400 24.51 68.7145 22.7967 67.8725 -46.7929 18.9871 17.0538 19.9614 20.8642 TIMING: 2147400 CPU: 6225.08, 0.00290566/step Wall: 6225.08, 0.00290566/step, 2.30241 hours remaining, 209.066406 MB of memory in use. ENERGY: 2147400 741.3922 2152.4149 1943.0923 123.4957 -205947.4188 17570.3340 0.0000 0.0000 34280.5519 -149136.1378 299.3806 -183416.6897 -149043.4181 300.4485 -153.7646 -122.3562 558020.3363 -0.3583 -0.4729 PRESSURE: 2147600 -78.028 -122.161 -61.7783 -122.162 115.713 23.8422 -61.7787 23.8437 7.5419 GPRESSURE: 2147600 -57.1366 -100.426 -76.6884 -53.9612 192.885 -33.3603 -18.8269 48.3624 -4.46636 PRESSAVG: 2147600 29.0548 6.66876 23.7122 6.66878 -18.613 6.66687 23.7122 6.66681 34.372 GPRESSAVG: 2147600 28.3618 6.47714 23.6767 7.8685 -17.2547 7.93278 24.5912 7.26196 33.4805 TIMING: 2147600 CPU: 6225.65, 0.00288064/step Wall: 6225.65, 0.00288064/step, 2.28242 hours remaining, 209.066406 MB of memory in use. ENERGY: 2147600 731.4756 2142.3015 1944.3899 105.1621 -206189.6643 17828.3388 0.0000 0.0000 34432.4009 -149005.5956 300.7067 -183437.9965 -148913.6390 300.0795 15.0756 43.7606 556738.2029 14.9379 14.8625 PRESSURE: 2147800 37.2059 23.9732 -50.1918 23.9741 -82.8645 135.803 -50.1909 135.804 57.7245 GPRESSURE: 2147800 81.4292 34.059 -20.83 30.4434 -15.9773 16.5316 -89.8267 151.013 36.3332 PRESSAVG: 2147800 -17.3846 -22.685 23.4925 -22.685 -18.5257 -38.034 23.4925 -38.0339 28.5504 GPRESSAVG: 2147800 -16.0088 -21.3029 23.366 -21.6202 -19.1401 -39.1851 23.9278 -37.8717 28.3642 TIMING: 2147800 CPU: 6226.23, 0.00288516/step Wall: 6226.23, 0.00288516/step, 2.28585 hours remaining, 209.066406 MB of memory in use. ENERGY: 2147800 778.2569 2076.4315 1949.3483 108.6048 -206200.3638 17809.1197 0.0000 0.0000 34363.7368 -149114.8657 300.1071 -183478.6025 -149015.6044 300.0228 4.0220 33.9284 556033.5965 -2.4533 -2.2616 PRESSURE: 2148000 6.35457 -10.3514 93.2879 -10.3507 -152.917 26.7287 93.2864 26.7289 -28.8896 GPRESSURE: 2148000 42.6697 -113.359 81.9911 57.0741 -142.521 98.6651 138.37 -1.20098 27.6052 PRESSAVG: 2148000 0.994148 5.52466 -26.109 5.52457 -13.4988 -60.3573 -26.109 -60.3574 -4.65972 GPRESSAVG: 2148000 0.53711 2.9441 -26.4881 5.2316 -12.9755 -60.5618 -26.6687 -59.8669 -3.9566 TIMING: 2148000 CPU: 6226.81, 0.002903/step Wall: 6226.81, 0.002903/step, 2.29982 hours remaining, 209.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2148000 734.1422 2139.7005 1947.7685 125.3622 -206130.9898 17744.0796 0.0000 0.0000 34367.2739 -149072.6628 300.1380 -183439.9367 -148971.1788 299.4823 -58.4841 -24.0821 557250.9826 -5.7214 -5.4650 PRESSURE: 2148200 357.386 21.9174 -43.053 21.9179 35.9871 99.2628 -43.052 99.2629 4.08036 GPRESSURE: 2148200 339.102 53.2896 -46.9509 35.1741 97.7486 139.605 -110.457 74.4271 51.5084 PRESSAVG: 2148200 41.9756 16.5512 -18.1663 16.5511 -54.5734 -8.12847 -18.1662 -8.1285 3.03871 GPRESSAVG: 2148200 42.0749 18.8428 -17.9617 17.8202 -54.9815 -7.97026 -16.8573 -9.88536 3.50883 TIMING: 2148200 CPU: 6227.39, 0.002876/step Wall: 6227.39, 0.002876/step, 2.27827 hours remaining, 209.066406 MB of memory in use. ENERGY: 2148200 741.7456 2123.5221 1965.4290 129.6912 -206304.7948 18188.7190 0.0000 0.0000 34165.9044 -148989.7835 298.3793 -183155.6879 -148894.7669 299.9123 132.4846 162.7862 559235.4758 -3.1864 -3.1326 LDB: ============= START OF LOAD BALANCING ============== 6230.77 LDB: ============== END OF LOAD BALANCING =============== 6230.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6230.77 LDB: ============= START OF LOAD BALANCING ============== 6231.06 LDB: Largest compute 4820 load 0.024236 is 20.6% of average load 0.117880 LDB: Average compute 0.001731 is 1.5% of average load 0.117880 LDB: TIME 6231.06 LOAD: AVG 0.11788 MAX 0.180624 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.305 MB LDB: TIME 6231.07 LOAD: AVG 0.11788 MAX 0.180624 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.305 MB LDB: TIME 6231.07 LOAD: AVG 0.11788 MAX 0.180624 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6231.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6231.07 PRESSURE: 2148400 141.666 -11.8498 99.303 -11.8499 -30.1289 77.2001 99.3036 77.1965 259.91 GPRESSURE: 2148400 158.006 -80.8224 123.016 22.9954 10.4569 48.4263 165.196 136.188 298.918 PRESSAVG: 2148400 24.4017 -97.3198 35.3277 -97.3198 -76.2791 -8.64482 35.3277 -8.6449 13.9446 GPRESSAVG: 2148400 25.0307 -96.4838 35.2339 -99.5753 -76.6908 -6.86362 34.9526 -8.55308 13.7545 TIMING: 2148400 CPU: 6227.98, 0.00294771/step Wall: 6227.98, 0.00294771/step, 2.33491 hours remaining, 209.492188 MB of memory in use. ENERGY: 2148400 766.3028 2078.2037 1938.5173 106.5753 -206555.2881 18132.1311 0.0000 0.0000 34584.2198 -148949.3381 302.0326 -183533.5579 -148851.3968 300.1886 123.8157 155.7935 558283.6464 -12.6443 -12.6352 PRESSURE: 2148600 31.9306 -64.648 -95.5943 -64.6485 -18.7554 -27.4011 -95.5933 -27.4015 24.6464 GPRESSURE: 2148600 97.1813 -9.50712 -100.628 5.47465 -9.11911 -62.2244 -111.764 23.0101 50.2685 PRESSAVG: 2148600 48.366 -82.0959 -34.4511 -82.096 -41.9251 48.1026 -34.4512 48.1026 24.5723 GPRESSAVG: 2148600 47.6908 -81.5324 -34.8088 -83.0688 -41.8831 46.4008 -35.3774 50.8231 25.3994 TIMING: 2148600 CPU: 6228.55, 0.00289754/step Wall: 6228.55, 0.00289754/step, 2.29501 hours remaining, 209.750000 MB of memory in use. ENERGY: 2148600 775.7331 2090.0748 1953.8185 114.0186 -205911.6266 17745.0375 0.0000 0.0000 34183.9340 -149049.0101 298.5368 -183232.9441 -148951.4054 300.4417 12.6072 46.1102 557179.6265 10.3377 10.4024 PRESSURE: 2148800 -52.9701 -16.0177 -201.205 -16.0178 -189.251 -56.9508 -201.206 -56.9499 -266.152 GPRESSURE: 2148800 -67.2356 1.22166 -149.809 -15.4223 -161.252 16.459 -185.24 -71.6679 -187.281 PRESSAVG: 2148800 16.7281 -18.2707 -18.9018 -18.2707 -88.2098 -11.3251 -18.9017 -11.3251 83.3843 GPRESSAVG: 2148800 17.2337 -20.0126 -17.6271 -16.1546 -87.8673 -10.6551 -18.1483 -11.1216 82.8714 TIMING: 2148800 CPU: 6229.13, 0.0028815/step Wall: 6229.13, 0.0028815/step, 2.28215 hours remaining, 209.750000 MB of memory in use. ENERGY: 2148800 754.8231 2000.2188 1970.5052 107.1880 -205559.7171 17566.2972 0.0000 0.0000 34165.3523 -148995.3325 298.3745 -183160.6848 -148902.8202 299.6633 -169.4577 -138.5897 559059.3091 3.9676 4.0793 PRESSURE: 2149000 297.761 20.5297 64.9948 20.5309 113.668 -74.9166 64.9943 -74.9162 267.294 GPRESSURE: 2149000 374.548 -60.8998 110.139 117.595 101.343 -85.8233 39.4843 -77.7779 300.191 PRESSAVG: 2149000 -3.97674 10.1656 -32.1066 10.1655 -27.6671 -39.8083 -32.1066 -39.8085 41.2358 GPRESSAVG: 2149000 -4.03964 9.07719 -34.8425 10.2144 -26.4374 -40.1421 -32.1027 -39.1433 40.5858 TIMING: 2149000 CPU: 6229.71, 0.0028842/step Wall: 6229.71, 0.0028842/step, 2.28413 hours remaining, 209.750000 MB of memory in use. ENERGY: 2149000 739.1690 2100.3423 1969.6052 125.1602 -206525.3682 18190.1864 0.0000 0.0000 34275.9598 -149124.9453 299.3405 -183400.9051 -149030.3272 299.5422 226.2408 258.6941 556854.5561 3.1973 3.3696 PRESSURE: 2149200 -262.701 173.75 19.4107 173.75 -63.1345 -25.6976 19.4113 -25.6979 -143.386 GPRESSURE: 2149200 -272.454 88.7391 57.353 184.105 -24.5677 -55.663 -43.2009 -75.8778 -93.0602 PRESSAVG: 2149200 -44.7694 23.5146 60.2404 23.5147 -22.8211 -74.9597 60.2404 -74.9597 16.4318 GPRESSAVG: 2149200 -45.0831 24.0776 62.8254 22.8764 -22.5157 -72.6981 60.7962 -77.7281 16.4243 TIMING: 2149200 CPU: 6230.28, 0.00288103/step Wall: 6230.28, 0.00288103/step, 2.28146 hours remaining, 209.750000 MB of memory in use. ENERGY: 2149200 792.7433 2096.2201 1955.9190 116.2139 -206056.3915 17680.2090 0.0000 0.0000 34303.4223 -149111.6640 299.5803 -183415.0862 -149020.5602 299.5738 -156.4073 -130.0272 559089.1496 -17.0529 -17.0582 PRESSURE: 2149400 58.1018 -124.03 -86.7143 -124.031 34.4957 88.2063 -86.7142 88.2086 -21.3418 GPRESSURE: 2149400 142.58 -119.264 -104.624 -56.4436 62.7902 167.513 -87.0013 36.6381 -43.2418 PRESSAVG: 2149400 -1.59525 18.1052 61.6971 18.1053 15.0451 -45.7731 61.6971 -45.7731 19.307 GPRESSAVG: 2149400 -1.04628 19.8483 61.6758 17.8113 13.5305 -46.7225 59.8885 -44.9552 20.101 TIMING: 2149400 CPU: 6230.86, 0.00289111/step Wall: 6230.86, 0.00289111/step, 2.28928 hours remaining, 209.750000 MB of memory in use. ENERGY: 2149400 733.6717 2065.6297 1971.2349 108.4248 -206025.0664 17719.2679 0.0000 0.0000 34332.2358 -149094.6016 299.8320 -183426.8374 -148995.9528 299.6986 23.7519 54.0428 556599.7940 10.9189 10.8617 PRESSURE: 2149600 192.815 127.502 98.576 127.502 18.4069 -71.6951 98.5753 -71.6933 -215.729 GPRESSURE: 2149600 171.17 72.9849 106.493 129.905 118.383 -56.6536 134.344 -136.92 -202.609 PRESSAVG: 2149600 39.2325 -2.64681 -61.7672 -2.64676 -39.6882 14.0359 -61.7672 14.0359 -59.6793 GPRESSAVG: 2149600 38.7981 -3.52014 -61.194 -2.75192 -39.8725 12.6917 -62.8236 12.4021 -59.7209 TIMING: 2149600 CPU: 6231.44, 0.00289837/step Wall: 6231.44, 0.00289837/step, 2.29487 hours remaining, 209.750000 MB of memory in use. ENERGY: 2149600 739.8739 2096.0427 1932.4619 108.8697 -206181.0744 17861.4722 0.0000 0.0000 34410.0757 -149032.2784 300.5117 -183442.3541 -148926.3248 300.0839 -1.5022 28.9813 556985.9667 -20.0450 -20.2651 PRESSURE: 2149800 97.4187 33.9032 -78.3674 33.903 -94.1829 -131.082 -78.3683 -131.081 -163.985 GPRESSURE: 2149800 149.911 133.964 -148.503 -74.8038 -66.9485 -147.543 -59.436 -141.065 -137.382 PRESSAVG: 2149800 37.7563 64.3159 12.2987 64.3158 23.8216 51.7028 12.2987 51.7028 -67.4677 GPRESSAVG: 2149800 37.6751 64.4847 10.6283 64.738 23.4945 51.385 13.532 53.7146 -67.3658 TIMING: 2149800 CPU: 6232.02, 0.00289397/step Wall: 6232.02, 0.00289397/step, 2.29122 hours remaining, 209.750000 MB of memory in use. ENERGY: 2149800 716.9367 2113.7218 1968.9802 104.5195 -206280.6290 17796.3665 0.0000 0.0000 34494.5697 -149085.5346 301.2497 -183580.1043 -148985.8045 300.1389 -53.5829 -18.1400 556290.6812 -1.9633 -2.0654 PRESSURE: 2150000 -259.609 147.991 -134.609 147.992 -105.367 101.812 -134.61 101.813 279.471 GPRESSURE: 2150000 -221.619 113.797 -241.514 166.142 -36.675 46.6458 -86.393 23.489 277.682 PRESSAVG: 2150000 5.39176 28.2072 16.5855 28.207 24.2504 -35.1454 16.5855 -35.1454 -28.4583 GPRESSAVG: 2150000 5.68843 27.2473 15.6729 28.0439 24.1268 -33.857 17.6445 -34.5716 -28.5358 TIMING: 2150000 CPU: 6232.6, 0.00287127/step Wall: 6232.6, 0.00287127/step, 2.27309 hours remaining, 209.804688 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: 2150000 748.8594 2155.1244 1951.9687 124.0036 -206401.1191 17859.6966 0.0000 0.0000 34369.7096 -149191.7568 300.1592 -183561.4665 -149096.2176 299.5371 -28.5017 6.4625 556445.2043 0.3946 0.4265 PRESSURE: 2150200 125.417 75.8265 -19.905 75.8261 -78.9096 -233.319 -19.9061 -233.319 -98.2721 GPRESSURE: 2150200 75.5811 134.731 50.5912 -17.6455 -106.548 -200.676 -25.7739 -242.628 60.0631 PRESSAVG: 2150200 41.225 28.7215 -12.5943 28.7215 4.41528 9.69208 -12.5943 9.69218 -50.9962 GPRESSAVG: 2150200 40.7504 29.5696 -10.2191 30.5022 4.51926 8.55911 -12.2923 9.68226 -50.8884 TIMING: 2150200 CPU: 6233.17, 0.00289907/step Wall: 6233.17, 0.00289907/step, 2.29494 hours remaining, 209.804688 MB of memory in use. ENERGY: 2150200 752.8475 2159.8873 1943.7574 109.1350 -206439.6906 17728.5221 0.0000 0.0000 34412.4080 -149333.1333 300.5321 -183745.5414 -149238.3023 299.3639 -17.2549 9.6986 555087.0593 -1.7853 -1.8729 PRESSURE: 2150400 -436.209 18.4149 27.7204 18.4153 -90.3292 102.796 27.7214 102.797 -24.1543 GPRESSURE: 2150400 -368.835 -35.0577 88.5707 7.93342 -10.4358 128.287 11.013 72.0929 -64.5644 PRESSAVG: 2150400 14.8234 -15.3044 -4.42765 -15.3044 21.3502 -32.1265 -4.42745 -32.1264 -2.01341 GPRESSAVG: 2150400 15.1378 -16.0165 -5.39058 -17.1741 22.233 -31.969 -4.14535 -32.5579 -3.1203 TIMING: 2150400 CPU: 6233.75, 0.00288614/step Wall: 6233.75, 0.00288614/step, 2.28454 hours remaining, 209.804688 MB of memory in use. ENERGY: 2150400 760.6549 2101.7299 1948.5269 117.8449 -206058.1312 17559.3204 0.0000 0.0000 34318.0512 -149252.0030 299.7081 -183570.0542 -149156.2535 299.0419 -183.5643 -147.9452 556561.6867 11.3867 11.4168 PRESSURE: 2150600 88.7475 96.6178 -147.128 96.619 264.891 220.312 -147.128 220.31 144.86 GPRESSURE: 2150600 102.054 101.71 -144.298 170.659 319.873 213.445 -110.975 199.613 179.542 PRESSAVG: 2150600 6.23776 0.634058 -53.0593 0.633955 15.3354 5.91473 -53.0593 5.9148 -18.0047 GPRESSAVG: 2150600 6.20647 0.915951 -54.6486 0.848939 14.8059 5.2085 -52.7889 5.77756 -17.0565 TIMING: 2150600 CPU: 6234.33, 0.00288753/step Wall: 6234.33, 0.00288753/step, 2.28548 hours remaining, 209.804688 MB of memory in use. ENERGY: 2150600 733.4596 2054.4370 1944.0231 115.2703 -206679.6902 18021.6760 0.0000 0.0000 34454.3725 -149356.4517 300.8986 -183810.8242 -149264.0443 299.5081 166.1662 200.4896 555775.1417 1.1895 1.3186 PRESSURE: 2150800 401.634 85.6301 -53.0593 85.6304 -143.256 107.965 -53.0578 107.966 -102.028 GPRESSURE: 2150800 423.89 24.0651 -3.04788 129.97 -142.016 3.7791 -12.8293 148.546 -24.025 PRESSAVG: 2150800 8.52171 -15.6599 -62.786 -15.66 63.0785 31.1175 -62.7859 31.1176 -62.2994 GPRESSAVG: 2150800 8.08772 -13.1009 -61.756 -15.7044 63.0366 32.6284 -62.35 29.512 -61.8431 TIMING: 2150800 CPU: 6234.91, 0.00289958/step Wall: 6234.91, 0.00289958/step, 2.29486 hours remaining, 209.804688 MB of memory in use. ENERGY: 2150800 755.4414 2084.1886 1976.2282 111.3858 -206507.2783 17929.6502 0.0000 0.0000 34358.1183 -149292.2657 300.0580 -183650.3840 -149194.6522 299.4292 52.1169 85.9496 555457.8885 3.1003 3.0937 PRESSURE: 2151000 185.89 -89.0398 -35.8948 -89.0382 104.333 75.4658 -35.8959 75.4666 184.51 GPRESSURE: 2151000 263.695 -53.1138 12.9537 -112.316 135.597 18.987 -20.6314 70.1712 183.818 PRESSAVG: 2151000 20.1172 -9.56553 11.7849 -9.56562 -16.3137 8.53779 11.7848 8.53781 8.56866 GPRESSAVG: 2151000 19.0153 -10.2319 11.7401 -7.97712 -15.6874 7.41803 9.62445 8.96372 9.44644 TIMING: 2151000 CPU: 6235.49, 0.00290019/step Wall: 6235.49, 0.00290019/step, 2.29518 hours remaining, 209.804688 MB of memory in use. ENERGY: 2151000 742.6096 2066.7478 1945.5594 117.6995 -206465.9673 18007.8607 0.0000 0.0000 34278.1591 -149307.3312 299.3597 -183585.4904 -149215.1869 299.2264 158.2444 194.3703 556533.6975 4.1241 4.2581 PRESSURE: 2151200 215.982 9.74689 19.3783 9.7471 -5.35341 -95.4592 19.3786 -95.4587 -101.249 GPRESSURE: 2151200 258.604 13.7906 38.0485 -4.68627 0.0112732 -126.856 19.046 -27.261 -48.9833 PRESSAVG: 2151200 89.155 -16.3806 12.1249 -16.3806 -54.9046 12.5097 12.1249 12.5098 12.9646 GPRESSAVG: 2151200 91.3555 -17.9683 12.1328 -17.5005 -56.2531 15.0266 13.1469 10.7881 12.2008 TIMING: 2151200 CPU: 6236.07, 0.00290741/step Wall: 6236.07, 0.00290741/step, 2.30073 hours remaining, 209.804688 MB of memory in use. ENERGY: 2151200 776.5698 2088.8619 1910.7917 121.1583 -206545.8937 17889.9215 0.0000 0.0000 34263.6269 -149494.9637 299.2328 -183758.5906 -149396.9615 298.7765 36.4599 69.8774 556132.9223 15.7383 15.7677 PRESSURE: 2151400 113.623 -45.6053 78.404 -45.6043 -117.696 -106.351 78.4043 -106.351 -53.8631 GPRESSURE: 2151400 142.604 31.8594 33.281 -75.6384 -84.0248 -204.408 50.5303 -30.3829 -17.0939 PRESSAVG: 2151400 20.621 22.6711 26.1258 22.6711 -16.1702 -11.1822 26.1258 -11.1821 -2.75523 GPRESSAVG: 2151400 18.7086 24.2256 25.6694 23.0869 -14.7798 -13.5669 26.2407 -8.65006 -1.98677 TIMING: 2151400 CPU: 6236.66, 0.00292519/step Wall: 6236.66, 0.00292519/step, 2.31464 hours remaining, 209.804688 MB of memory in use. ENERGY: 2151400 697.3467 2114.3555 1956.2615 120.3929 -206528.7522 17786.3404 0.0000 0.0000 34251.9869 -149602.0681 299.1311 -183854.0551 -149504.0907 298.2577 -19.3122 13.8284 556800.5082 0.5652 0.6473 PRESSURE: 2151600 89.9481 -62.3009 -69.0143 -62.3008 281.606 -158.373 -69.0147 -158.374 367.088 GPRESSURE: 2151600 144.379 -94.456 -35.9955 -44.4457 307.304 -100.829 -17.7631 -243.397 376.479 PRESSAVG: 2151600 25.4443 34.5362 44.1326 34.5361 -29.634 -11.9084 44.1325 -11.9085 16.3379 GPRESSAVG: 2151600 26.6445 33.1543 44.1735 34.4337 -29.9142 -10.5038 44.0691 -13.7579 15.6976 TIMING: 2151600 CPU: 6237.24, 0.002895/step Wall: 6237.24, 0.002895/step, 2.29059 hours remaining, 209.804688 MB of memory in use. ENERGY: 2151600 709.7370 2035.7866 1962.6567 116.5795 -206604.1443 17980.7631 0.0000 0.0000 34314.2216 -149484.3999 299.6746 -183798.6215 -149380.0658 298.8438 246.2137 276.0541 555456.7797 4.0494 4.1426 PRESSURE: 2151800 -75.3821 -42.4544 -66.7229 -42.455 97.6188 -77.1229 -66.723 -77.1227 72.0261 GPRESSURE: 2151800 -34.483 -71.1109 49.0915 -23.7349 119.639 13.7616 -83.6892 -97.3768 107.277 PRESSAVG: 2151800 1.99986 48.0939 -11.8958 48.094 61.363 41.4872 -11.8958 41.4872 -64.4003 GPRESSAVG: 2151800 1.93992 49.2789 -12.2094 49.2862 61.9929 41.7438 -11.5851 42.0008 -64.3801 TIMING: 2151800 CPU: 6237.81, 0.00288882/step Wall: 6237.81, 0.00288882/step, 2.28554 hours remaining, 209.804688 MB of memory in use. ENERGY: 2151800 730.5796 2011.0717 1957.1690 105.7475 -206524.9472 17993.1332 0.0000 0.0000 34258.4392 -149468.8070 299.1875 -183727.2462 -149369.7287 299.0945 31.4209 64.1444 558204.0012 -0.3458 -0.1491 PRESSURE: 2152000 201.136 111.516 -92.2854 111.516 -64.4621 200.882 -92.2865 200.882 -94.5067 GPRESSURE: 2152000 236.036 126.287 -98.2894 77.8307 -46.3347 75.8337 -62.8484 275.151 -43.5129 PRESSAVG: 2152000 24.5453 31.8501 -40.5859 31.8501 -23.3014 78.7136 -40.5859 78.7136 -29.558 GPRESSAVG: 2152000 24.5875 31.9226 -41.7648 30.6889 -21.8623 74.7968 -40.6251 80.992 -30.9054 TIMING: 2152000 CPU: 6238.39, 0.00290886/step Wall: 6238.39, 0.00290886/step, 2.30123 hours remaining, 209.804688 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: 2152000 734.9747 2099.1904 1934.3879 109.8199 -206880.5727 18060.1944 0.0000 0.0000 34477.7546 -149464.2508 301.1028 -183942.0054 -149373.6773 298.9401 14.0559 48.7294 558225.3647 -9.4381 -9.3934 PRESSURE: 2152200 -103.187 3.41801 20.0883 3.41637 64.4089 24.918 20.0882 24.9186 -149.189 GPRESSURE: 2152200 -140.626 3.28703 -8.21679 77.0649 141.394 -31.6995 5.87513 30.854 -75.016 PRESSAVG: 2152200 -15.1241 26.8688 -4.69952 26.8688 30.9431 85.3339 -4.69951 85.3339 -35.8426 GPRESSAVG: 2152200 -14.9355 24.2039 -2.72366 27.2893 30.0328 87.5719 -5.48197 84.2571 -34.9954 TIMING: 2152200 CPU: 6238.98, 0.00291784/step Wall: 6238.98, 0.00291784/step, 2.30817 hours remaining, 209.804688 MB of memory in use. ENERGY: 2152200 709.7159 2093.0841 1932.3361 110.9363 -206300.3278 17667.5751 0.0000 0.0000 34269.0077 -149517.6725 299.2798 -183786.6803 -149419.1945 298.6427 -62.6557 -24.7493 558853.1001 -6.6745 -6.6327 LDB: ============= START OF LOAD BALANCING ============== 6242.36 LDB: ============== END OF LOAD BALANCING =============== 6242.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6242.36 LDB: ============= START OF LOAD BALANCING ============== 6242.65 LDB: Largest compute 4820 load 0.023174 is 19.6% of average load 0.117993 LDB: Average compute 0.001740 is 1.5% of average load 0.117993 LDB: TIME 6242.66 LOAD: AVG 0.117993 MAX 0.17929 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.555 MB LDB: TIME 6242.66 LOAD: AVG 0.117993 MAX 0.17929 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.758 MB LDB: TIME 6242.66 LOAD: AVG 0.117993 MAX 0.17929 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6242.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6242.66 PRESSURE: 2152400 24.4567 22.9389 -139.894 22.9381 37.1359 254.278 -139.894 254.277 192.078 GPRESSURE: 2152400 6.2312 -19.2973 -93.2179 17.6845 88.9162 210.887 -154.604 225.269 250.708 PRESSAVG: 2152400 67.2248 14.8731 31.9604 14.8731 -26.5255 27.3214 31.9605 27.3215 -47.6333 GPRESSAVG: 2152400 66.3939 19.0855 30.7862 13.3143 -26.3654 27.3283 32.6803 26.7595 -46.6636 TIMING: 2152400 CPU: 6239.57, 0.00294737/step Wall: 6239.57, 0.00294737/step, 2.33137 hours remaining, 208.210938 MB of memory in use. ENERGY: 2152400 666.2872 2044.3846 1957.0376 114.1081 -206467.1167 17943.4446 0.0000 0.0000 34222.8580 -149518.9966 298.8767 -183741.8546 -149412.0292 298.6390 84.5570 115.2851 557486.3967 -2.3113 -2.2117 PRESSURE: 2152600 112.992 -38.3633 29.3992 -38.3615 431.388 22.0182 29.3992 22.0175 137.422 GPRESSURE: 2152600 113.675 -35.554 59.2865 -64.9808 484.72 64.489 50.0619 -21.5096 187.543 PRESSAVG: 2152600 3.1539 36.7692 9.7445 36.7692 -6.85264 13.1068 9.74453 13.1068 25.6592 GPRESSAVG: 2152600 4.24425 34.1468 11.6151 39.0918 -8.07788 12.1684 8.14066 13.8135 25.0337 TIMING: 2152600 CPU: 6240.14, 0.00288308/step Wall: 6240.14, 0.00288308/step, 2.28035 hours remaining, 208.210938 MB of memory in use. ENERGY: 2152600 715.4101 2072.4189 1945.7123 124.0107 -206570.7770 18217.5600 0.0000 0.0000 34072.3542 -149423.3108 297.5623 -183495.6651 -149326.0255 298.0368 227.2672 261.9794 557561.5495 7.3202 7.0667 PRESSURE: 2152800 -139.517 84.2082 -41.9011 84.2092 44.0297 7.21549 -41.9014 7.21693 120.589 GPRESSURE: 2152800 -62.2706 122.909 1.98777 89.843 22.5595 53.9392 -36.9769 7.98382 172.214 PRESSAVG: 2152800 -18.6006 8.0573 -13.911 8.05726 -7.94205 -20.9673 -13.911 -20.9672 38.0026 GPRESSAVG: 2152800 -19.0152 9.72176 -15.1523 7.68409 -7.23197 -19.7735 -12.1575 -21.8323 37.4906 TIMING: 2152800 CPU: 6240.72, 0.00287995/step Wall: 6240.72, 0.00287995/step, 2.27772 hours remaining, 208.210938 MB of memory in use. ENERGY: 2152800 738.6790 2040.0025 1958.2129 109.3500 -205945.9001 17616.6074 0.0000 0.0000 34142.2062 -149340.8423 298.1724 -183483.0485 -149241.3276 298.1459 8.3674 44.1676 556628.8028 3.8200 3.7478 PRESSURE: 2153000 -402.594 -41.4391 -33.1771 -41.4394 -323.94 73.9848 -33.1769 73.9852 -42.813 GPRESSURE: 2153000 -331.419 -19.9403 27.3347 -67.7622 -318.574 33.5905 -84.7566 147.348 -15.7005 PRESSAVG: 2153000 -52.9209 5.89768 -30.6675 5.89766 16.5322 -26.9687 -30.6675 -26.9687 14.1007 GPRESSAVG: 2153000 -53.3704 5.56103 -30.3908 4.74024 15.9323 -28.3182 -30.7346 -25.9581 15.1705 TIMING: 2153000 CPU: 6241.3, 0.00288706/step Wall: 6241.3, 0.00288706/step, 2.28318 hours remaining, 208.210938 MB of memory in use. ENERGY: 2153000 709.2733 2083.4819 1923.8946 100.9555 -205840.3307 17399.9793 0.0000 0.0000 34210.8671 -149411.8792 298.7720 -183622.7462 -149324.1482 298.5127 -256.4492 -221.8980 557826.7166 -7.4293 -7.4225 PRESSURE: 2153200 345.583 7.31765 -59.8135 7.31819 -26.0804 46.3853 -59.8134 46.3858 -117.215 GPRESSURE: 2153200 384.658 59.8195 -83.6342 -43.6488 72.3567 102.685 -111.437 -25.6429 -160.65 PRESSAVG: 2153200 -24.5534 -20.2552 -8.13557 -20.2551 -9.17387 -8.03603 -8.13551 -8.03591 42.8751 GPRESSAVG: 2153200 -24.3363 -18.8399 -8.06377 -18.7537 -7.69872 -6.04956 -9.27807 -10.2008 41.1741 TIMING: 2153200 CPU: 6241.88, 0.00290412/step Wall: 6241.88, 0.00290412/step, 2.29651 hours remaining, 208.210938 MB of memory in use. ENERGY: 2153200 731.1503 2065.3154 1957.7110 110.6059 -206162.9668 17888.9795 0.0000 0.0000 34218.8653 -149190.3395 298.8419 -183409.2048 -149088.6148 298.3783 67.4293 98.7882 558380.8470 3.0493 3.0463 PRESSURE: 2153400 -0.343195 127.835 -8.49573 127.835 -286.659 -46.7184 -8.49532 -46.7185 62.7575 GPRESSURE: 2153400 -59.5494 186.645 49.9343 98.7793 -221.906 -15.7059 -58.7689 -91.7646 148.009 PRESSAVG: 2153400 7.71011 -46.8705 1.84629 -46.8704 -54.3972 22.0343 1.84625 22.0344 43.3498 GPRESSAVG: 2153400 8.85183 -46.831 1.5433 -48.6251 -55.2797 21.5846 2.45596 24.7791 43.3434 TIMING: 2153400 CPU: 6242.46, 0.00289962/step Wall: 6242.46, 0.00289962/step, 2.29279 hours remaining, 208.210938 MB of memory in use. ENERGY: 2153400 760.8231 2040.5932 1970.4748 115.8669 -206294.6326 17795.5044 0.0000 0.0000 34430.9791 -149180.3910 300.6943 -183611.3702 -149085.5610 299.1447 -74.7483 -44.4821 557959.9306 -1.1124 -1.0282 PRESSURE: 2153600 91.3922 59.8287 -82.9674 59.8274 -192.827 306.732 -82.9666 306.731 -10.3989 GPRESSURE: 2153600 119.033 -34.8482 -84.5878 98.3908 -157.483 290.315 -82.8659 246.956 19.5945 PRESSAVG: 2153600 14.0638 -37.2721 9.95843 -37.2721 -22.7431 15.197 9.95836 15.197 0.665482 GPRESSAVG: 2153600 12.6131 -38.9037 10.125 -37.1498 -21.8299 14.1689 8.93667 13.9826 1.60369 TIMING: 2153600 CPU: 6243.04, 0.00288456/step Wall: 6243.04, 0.00288456/step, 2.28073 hours remaining, 208.210938 MB of memory in use. ENERGY: 2153600 762.7330 2008.9409 1956.0919 114.7103 -206116.5223 17811.2827 0.0000 0.0000 34391.6283 -149071.1351 300.3506 -183462.7634 -148968.8319 299.3529 -37.2778 -6.2851 557357.1501 -2.6713 -2.5377 PRESSURE: 2153800 -91.7008 55.1024 118.379 55.1018 -52.7857 -160.046 118.379 -160.047 126.011 GPRESSURE: 2153800 -60.8927 9.91752 136.191 93.2667 41.038 -101.955 56.8588 -160.934 103.669 PRESSAVG: 2153800 -43.3067 -51.9821 32.9236 -51.982 61.917 6.99465 32.9235 6.99467 -33.8058 GPRESSAVG: 2153800 -42.9199 -52.7521 33.7253 -50.1113 60.4665 5.77146 34.9002 8.55104 -32.6972 TIMING: 2153800 CPU: 6243.61, 0.00288126/step Wall: 6243.61, 0.00288126/step, 2.27796 hours remaining, 208.210938 MB of memory in use. ENERGY: 2153800 774.4351 2040.4134 1952.7015 113.2154 -205973.1485 17816.2059 0.0000 0.0000 34162.4963 -149113.6809 298.3496 -183276.1772 -149023.4530 299.8043 -6.1585 27.9380 557582.0976 -5.0652 -5.0502 PRESSURE: 2154000 -229.907 55.7097 40.5175 55.7114 11.2158 -66.3092 40.519 -66.3093 -184.066 GPRESSURE: 2154000 -268.642 51.8737 26.687 126.198 77.451 -29.6502 58.1501 -103.279 -122.148 PRESSAVG: 2154000 43.5552 30.0396 72.7926 30.0396 -82.3691 -16.3667 72.7927 -16.3666 60.986 GPRESSAVG: 2154000 44.2449 31.0576 71.5954 30.0659 -81.2233 -12.2581 73.0714 -17.8505 59.385 TIMING: 2154000 CPU: 6244.19, 0.00290414/step Wall: 6244.19, 0.00290414/step, 2.29589 hours remaining, 208.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2154000 718.2709 2082.1247 1955.5643 108.0135 -205660.1346 17430.0283 0.0000 0.0000 34340.9599 -149025.1731 299.9081 -183366.1329 -148923.7405 299.5530 -134.2524 -104.4462 557409.2906 7.3907 7.4689 PRESSURE: 2154200 -126.535 -5.65684 -183.694 -5.6578 166.353 77.5421 -183.694 77.5409 73.8237 GPRESSURE: 2154200 -61.422 -40.3264 -154.036 62.5487 167.806 47.3454 -225.925 -0.820922 113.954 PRESSAVG: 2154200 31.443 11.0748 0.201097 11.0747 -6.89553 -31.0216 0.201121 -31.0216 -21.6963 GPRESSAVG: 2154200 30.3691 11.3653 2.05893 11.5827 -7.31886 -33.8973 -1.54534 -32.0172 -20.3795 TIMING: 2154200 CPU: 6244.77, 0.00289424/step Wall: 6244.77, 0.00289424/step, 2.2879 hours remaining, 208.410156 MB of memory in use. ENERGY: 2154200 731.5637 2039.2296 1929.2571 104.0377 -206031.2080 17823.0915 0.0000 0.0000 34514.7874 -148889.2412 301.4262 -183404.0285 -148786.9228 300.1113 37.8806 73.4462 558124.5453 0.9504 0.8902 PRESSURE: 2154400 -66.2864 -76.1823 32.6848 -76.1819 -30.657 -19.0919 32.6848 -19.0929 35.3172 GPRESSURE: 2154400 27.7853 -27.1002 88.3051 -69.2145 9.72985 -46.1967 94.0013 16.4941 -4.06959 PRESSAVG: 2154400 -63.2239 3.91616 31.4255 3.91619 22.1579 -42.9292 31.4254 -42.9293 66.551 GPRESSAVG: 2154400 -64.2562 3.66721 29.9317 1.55195 22.0129 -39.6183 31.7917 -42.5243 66.9156 TIMING: 2154400 CPU: 6245.35, 0.00287652/step Wall: 6245.35, 0.00287652/step, 2.27373 hours remaining, 208.410156 MB of memory in use. ENERGY: 2154400 727.4578 2068.1566 1967.3402 113.7900 -205738.7317 17727.9636 0.0000 0.0000 34303.6122 -148830.4112 299.5820 -183134.0234 -148729.5062 300.0940 -20.5421 11.1485 558922.0579 8.4950 8.2241 PRESSURE: 2154600 110.729 -32.4072 -225.868 -32.4059 -39.6396 35.8287 -225.868 35.8295 20.5151 GPRESSURE: 2154600 164.53 -106.854 -296.291 44.7965 9.40027 73.9787 -196.082 78.5735 12.6311 PRESSAVG: 2154600 -22.1127 10.9366 5.57529 10.9366 -48.3402 19.6686 5.5753 19.6685 17.0236 GPRESSAVG: 2154600 -20.4347 11.1759 5.845 10.8321 -48.6443 17.2122 5.18078 19.5428 15.6846 TIMING: 2154600 CPU: 6245.92, 0.00289069/step Wall: 6245.92, 0.00289069/step, 2.28477 hours remaining, 208.410156 MB of memory in use. ENERGY: 2154600 728.9238 2076.7370 1951.2672 114.1352 -205837.2689 17816.3427 0.0000 0.0000 34340.3645 -148809.4985 299.9029 -183149.8631 -148709.5478 300.3895 30.5349 62.1870 557445.2142 -17.8098 -17.7981 PRESSURE: 2154800 134.622 78.6136 172.838 78.613 -108.415 -155.097 172.838 -155.096 72.6935 GPRESSURE: 2154800 144.95 57.1066 125.275 154.245 -94.6277 -242.337 185.604 -82.4415 145.816 PRESSAVG: 2154800 39.2073 -7.50221 17.0471 -7.50221 -65.443 55.6967 17.047 55.6968 35.4456 GPRESSAVG: 2154800 38.487 -7.43971 17.0278 -5.88195 -64.2449 56.6646 16.0062 56.5454 35.1618 TIMING: 2154800 CPU: 6246.5, 0.00288653/step Wall: 6246.5, 0.00288653/step, 2.28132 hours remaining, 208.410156 MB of memory in use. ENERGY: 2154800 751.5336 2024.7158 1944.3636 115.0236 -206266.2025 18019.4092 0.0000 0.0000 34386.8505 -149024.3061 300.3089 -183411.1567 -148930.6273 300.2109 32.9670 65.3797 558227.9132 3.0700 3.1346 PRESSURE: 2155000 44.5289 83.8 128.481 83.8003 13.1158 -77.5731 128.48 -77.5734 84.0486 GPRESSURE: 2155000 99.9301 202.656 169.234 42.2958 13.0138 5.58245 65.309 -66.2418 127.027 PRESSAVG: 2155000 0.450973 18.8526 40.5389 18.8527 -21.2499 9.1877 40.539 9.18769 36.9121 GPRESSAVG: 2155000 0.434585 18.3061 40.1604 16.4253 -21.7067 8.65085 40.3901 8.46517 37.7619 TIMING: 2155000 CPU: 6247.08, 0.00286699/step Wall: 6247.08, 0.00286699/step, 2.26572 hours remaining, 208.410156 MB of memory in use. ENERGY: 2155000 723.2601 2058.3477 1936.2996 113.3257 -206115.6523 17917.0541 0.0000 0.0000 34321.2787 -149046.0863 299.7363 -183367.3650 -148946.8478 300.0853 47.2311 79.9903 558108.3751 5.3711 5.4966 PRESSURE: 2155200 -7.91774 -21.546 178.69 -21.5455 -228.179 101.731 178.69 101.731 -12.4863 GPRESSURE: 2155200 -19.9023 -69.4116 212.995 3.94789 -181.249 72.1868 120.958 21.2002 51.0485 PRESSAVG: 2155200 -39.4449 7.43733 46.3898 7.43738 -21.2564 -21.6422 46.3899 -21.6422 51.7888 GPRESSAVG: 2155200 -39.3957 7.23914 46.6915 8.34342 -20.3905 -22.6394 46.4404 -19.4023 51.1968 TIMING: 2155200 CPU: 6247.65, 0.0028856/step Wall: 6247.65, 0.0028856/step, 2.28026 hours remaining, 208.410156 MB of memory in use. ENERGY: 2155200 731.0459 2046.0176 1947.9662 108.7286 -205783.0048 17579.8250 0.0000 0.0000 34411.7034 -148957.7182 300.5260 -183369.4216 -148856.1586 299.8781 -82.8609 -50.0343 558816.9507 -2.9708 -2.8631 PRESSURE: 2155400 -77.3193 -48.9555 46.6635 -48.9575 -299.577 -50.7991 46.6647 -50.7984 -447.567 GPRESSURE: 2155400 -85.4489 -48.4756 76.4107 -48.664 -210.086 -17.6092 84.3101 -131.904 -441.102 PRESSAVG: 2155400 -19.7925 21.5256 54.5423 21.5257 -5.29868 -33.9278 54.5423 -33.9277 13.2584 GPRESSAVG: 2155400 -20.2336 22.667 54.1429 20.8404 -5.05037 -31.7046 53.4271 -36.3512 12.7572 TIMING: 2155400 CPU: 6248.24, 0.00291645/step Wall: 6248.24, 0.00291645/step, 2.30448 hours remaining, 208.410156 MB of memory in use. ENERGY: 2155400 729.4864 2121.9005 1927.5089 113.6017 -205732.8011 17316.6652 0.0000 0.0000 34487.6806 -149035.9579 301.1895 -183523.6385 -148933.5797 299.7860 -274.8211 -245.5458 557709.1694 -3.9443 -4.1756 PRESSURE: 2155600 -206.286 -123.74 109.94 -123.74 38.1083 85.7418 109.941 85.7424 212.393 GPRESSURE: 2155600 -181.556 -51.8372 120.493 -171.686 68.5363 54.7786 57.6748 65.5082 254.191 PRESSAVG: 2155600 30.8334 16.87 -44.0919 16.87 -26.3107 -8.75799 -44.0919 -8.75799 8.23757 GPRESSAVG: 2155600 31.8502 17.4405 -42.4269 17.0142 -26.8 -10.1055 -44.017 -8.54667 8.09866 TIMING: 2155600 CPU: 6248.82, 0.00290957/step Wall: 6248.82, 0.00290957/step, 2.29889 hours remaining, 208.410156 MB of memory in use. ENERGY: 2155600 767.4118 2044.3434 1940.8018 120.9929 -205839.6609 17741.9788 0.0000 0.0000 34428.1123 -148796.0200 300.6693 -183224.1323 -148700.5564 300.4123 14.7385 47.0572 557056.9145 4.2534 4.3830 PRESSURE: 2155800 48.4553 -78.5725 19.8665 -78.5732 -7.78869 -44.9041 19.868 -44.9034 132.655 GPRESSURE: 2155800 79.0837 -71.4277 87.4025 -52.6745 -22.4728 -71.2025 3.73098 -61.9262 212.107 PRESSAVG: 2155800 -18.6806 -59.9837 -6.29081 -59.9835 -12.2356 58.477 -6.29078 58.477 60.7391 GPRESSAVG: 2155800 -18.7375 -59.9308 -5.00014 -59.2095 -11.9726 56.0661 -8.19691 60.2398 60.8768 TIMING: 2155800 CPU: 6249.4, 0.00290165/step Wall: 6249.4, 0.00290165/step, 2.29247 hours remaining, 208.410156 MB of memory in use. ENERGY: 2155800 722.9660 2061.3019 1912.7892 113.7684 -205747.2121 17741.4880 0.0000 0.0000 34317.4051 -148877.4936 299.7024 -183194.8987 -148777.7974 300.4314 57.7738 89.5727 557569.4658 9.9409 10.0556 PRESSURE: 2156000 -109.392 -45.2604 -29.7627 -45.2597 -61.3942 3.04048 -29.7623 3.0406 104.329 GPRESSURE: 2156000 -99.9351 -16.9983 -151.245 -156.164 1.29323 -83.5709 -12.4728 140.293 127.095 PRESSAVG: 2156000 -26.36 -25.0573 16.7824 -25.0573 -45.3513 36.9399 16.7825 36.9398 91.8824 GPRESSAVG: 2156000 -27.5624 -25.1098 14.4994 -24.7376 -45.6076 40.0927 19.319 36.2542 92.552 TIMING: 2156000 CPU: 6249.98, 0.00288689/step Wall: 6249.98, 0.00288689/step, 2.28065 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2156000 743.5792 2135.2783 1924.6803 108.2057 -205762.4752 17731.1853 0.0000 0.0000 34313.7249 -148805.8215 299.6703 -183119.5464 -148708.5520 300.4831 -22.1524 9.4845 557104.8342 6.7237 6.4607 PRESSURE: 2156200 137.636 115.08 -7.75117 115.081 -252.557 98.7818 -7.75086 98.7826 32.682 GPRESSURE: 2156200 186.709 176.791 19.1415 76.8864 -163.65 32.2727 -19.5704 81.833 -5.1783 PRESSAVG: 2156200 -38.9026 31.1614 38.9133 31.1614 -0.185952 6.6977 38.9133 6.69765 29.2071 GPRESSAVG: 2156200 -38.1384 30.6691 38.0245 29.4472 -0.882432 7.38036 37.9115 6.19348 28.5277 TIMING: 2156200 CPU: 6250.55, 0.00288448/step Wall: 6250.55, 0.00288448/step, 2.27858 hours remaining, 208.410156 MB of memory in use. ENERGY: 2156200 720.4632 2122.0235 1937.5478 113.9054 -205446.9310 17472.1679 0.0000 0.0000 34268.6560 -148812.1672 299.2767 -183080.8232 -148715.1502 300.2343 -27.4130 5.9604 556467.7434 -3.2938 -3.4977 LDB: ============= START OF LOAD BALANCING ============== 6253.94 LDB: ============== END OF LOAD BALANCING =============== 6253.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6253.94 LDB: ============= START OF LOAD BALANCING ============== 6254.23 LDB: Largest compute 4820 load 0.022945 is 19.5% of average load 0.117915 LDB: Average compute 0.001731 is 1.5% of average load 0.117915 LDB: TIME 6254.24 LOAD: AVG 0.117915 MAX 0.178402 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.949 MB LDB: TIME 6254.24 LOAD: AVG 0.117915 MAX 0.178402 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: TIME 6254.24 LOAD: AVG 0.117915 MAX 0.178402 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: ============== END OF LOAD BALANCING =============== 6254.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6254.24 PRESSURE: 2156400 -32.1545 79.5549 32.3701 79.5553 -272.367 172.454 32.3709 172.455 58.4202 GPRESSURE: 2156400 61.8648 59.0051 65.0797 54.1977 -243.547 95.029 60.7117 131.774 30.5002 PRESSAVG: 2156400 -11.1474 78.726 20.9691 78.7259 -20.2274 29.0562 20.9691 29.0562 31.4281 GPRESSAVG: 2156400 -10.9452 78.7933 21.5594 80.0355 -20.267 27.833 23.5479 28.7782 30.7667 TIMING: 2156400 CPU: 6251.15, 0.00297223/step Wall: 6251.15, 0.00297223/step, 2.34773 hours remaining, 208.980469 MB of memory in use. ENERGY: 2156400 755.6867 2152.6891 1940.6718 112.2164 -205368.8893 17437.5576 0.0000 0.0000 34160.8045 -148809.2633 298.3348 -182970.0678 -148718.1490 301.1220 -82.0338 -50.3939 557823.5180 0.0178 -0.1485 PRESSURE: 2156600 -28.4474 -17.9579 -104.029 -17.9574 -172.763 -51.3835 -104.029 -51.3848 -139.117 GPRESSURE: 2156600 -37.4315 73.9589 -34.0853 -55.9148 -104.866 -21.2132 -38.9572 -46.2574 -102.595 PRESSAVG: 2156600 25.9791 -44.1644 13.1543 -44.1645 -117.694 10.1687 13.1543 10.1687 43.6641 GPRESSAVG: 2156600 25.3016 -44.1051 14.4513 -45.8016 -116.692 11.4741 11.394 9.20735 43.4838 TIMING: 2156600 CPU: 6251.73, 0.00290341/step Wall: 6251.73, 0.00290341/step, 2.29321 hours remaining, 209.222656 MB of memory in use. ENERGY: 2156600 736.7657 2027.3307 1939.9075 126.8174 -205351.3183 17343.9019 0.0000 0.0000 34306.4183 -148870.1766 299.6065 -183176.5950 -148772.1771 299.9531 -113.4422 -81.6310 557111.5864 -16.0168 -15.9690 PRESSURE: 2156800 -35.8806 -18.116 113.772 -18.1152 -159.207 10.2706 113.772 10.2699 -62.851 GPRESSURE: 2156800 -30.5989 -1.45563 152.918 28.6794 -81.4993 -111.061 101.506 184.21 -54.1812 PRESSAVG: 2156800 46.4803 -34.6263 21.3349 -34.6263 -74.3477 -29.0715 21.3349 -29.0714 41.7004 GPRESSAVG: 2156800 47.4113 -34.7265 20.397 -35.5367 -75.2658 -29.3961 21.6013 -26.2628 41.6598 TIMING: 2156800 CPU: 6252.31, 0.00291679/step Wall: 6252.31, 0.00291679/step, 2.30362 hours remaining, 209.222656 MB of memory in use. ENERGY: 2156800 734.0833 2070.1797 1954.4168 116.4477 -205725.7402 17526.4356 0.0000 0.0000 34287.0464 -149037.1307 299.4373 -183324.1771 -148938.5779 300.3907 -85.9794 -55.4264 556941.8042 4.6110 4.6018 PRESSURE: 2157000 -125.741 121.342 19.049 121.342 -243.801 115.018 19.0491 115.02 69.8367 GPRESSURE: 2157000 -65.1948 142.496 52.8775 161.794 -276.348 45.1731 20.2942 167.64 121.596 PRESSAVG: 2157000 23.2422 -9.34041 -16.5464 -9.34043 -67.628 18.508 -16.5464 18.5081 52.3583 GPRESSAVG: 2157000 22.4114 -9.80705 -16.1323 -8.05842 -67.4752 16.9702 -16.291 17.1777 52.4785 TIMING: 2157000 CPU: 6252.89, 0.00290589/step Wall: 6252.89, 0.00290589/step, 2.29485 hours remaining, 209.222656 MB of memory in use. ENERGY: 2157000 729.2025 2088.4118 1925.0309 112.0983 -205856.6090 17555.2752 0.0000 0.0000 34491.5207 -148955.0695 301.2230 -183446.5903 -148859.0379 299.9154 -99.9019 -73.3156 557644.4925 2.6575 2.4716 PRESSURE: 2157200 -453.754 194.485 -23.0932 194.484 -165.418 24.2931 -23.0928 24.2915 -319.302 GPRESSURE: 2157200 -452.873 113.406 3.50945 260.683 -132.174 74.8502 -18.8058 22.4431 -257.706 PRESSAVG: 2157200 -31.7465 -12.48 -5.00041 -12.48 -13.16 28.6725 -5.00042 28.6724 18.8499 GPRESSAVG: 2157200 -31.805 -12.5953 -5.83646 -12.991 -14.3006 31.3843 -7.07195 28.0274 20.1114 TIMING: 2157200 CPU: 6253.47, 0.00288016/step Wall: 6253.47, 0.00288016/step, 2.27437 hours remaining, 209.222656 MB of memory in use. ENERGY: 2157200 752.8787 2034.2601 1958.2679 124.2209 -205357.8706 17109.9635 0.0000 0.0000 34364.0334 -149014.2463 300.1097 -183378.2796 -148924.9362 300.2041 -312.8249 -280.9177 557814.2769 -8.6855 -8.6647 PRESSURE: 2157400 -190.844 -190.746 -44.5227 -190.746 65.5662 -61.2321 -44.5244 -61.2301 -29.9203 GPRESSURE: 2157400 -153.527 -112.094 -82.077 -261.198 86.2915 -111.933 -74.9011 -13.1693 5.02445 PRESSAVG: 2157400 -78.1732 31.5533 -39.6949 31.5533 -6.1557 72.2082 -39.695 72.2084 25.0117 GPRESSAVG: 2157400 -79.1994 34.4618 -38.711 31.738 -4.4931 71.9933 -38.2819 72.4519 24.2119 TIMING: 2157400 CPU: 6254.04, 0.00287958/step Wall: 6254.04, 0.00287958/step, 2.27375 hours remaining, 209.222656 MB of memory in use. ENERGY: 2157400 743.2175 2068.4008 1949.6265 104.0811 -206146.7465 17727.0854 0.0000 0.0000 34379.1018 -149175.2335 300.2412 -183554.3353 -149075.0500 299.8890 -51.7326 -20.7369 558507.4546 -19.7724 -19.8269 PRESSURE: 2157600 -103.863 -59.7797 -49.3848 -59.7796 -60.4277 129.847 -49.3838 129.848 118.734 GPRESSURE: 2157600 -17.9759 -13.7992 -71.1411 -67.6027 -78.4517 139.086 -51.4067 89.6092 150.038 PRESSAVG: 2157600 82.6753 -63.6191 34.0331 -63.6191 -50.8306 -16.5853 34.033 -16.5851 33.6803 GPRESSAVG: 2157600 83.8083 -64.7307 32.9205 -63.2402 -52.8308 -17.4261 32.7641 -16.0759 33.9976 TIMING: 2157600 CPU: 6254.62, 0.00287871/step Wall: 6254.62, 0.00287871/step, 2.2729 hours remaining, 209.222656 MB of memory in use. ENERGY: 2157600 715.9653 2112.3660 1956.1782 101.4635 -205893.8147 17688.6987 0.0000 0.0000 34229.6285 -149089.5144 298.9359 -183319.1429 -148989.0145 298.8192 -15.1857 17.8701 560405.7641 21.8417 21.6584 PRESSURE: 2157800 39.5468 34.1529 -82.5998 34.1531 -179.376 6.10545 -82.5987 6.10648 83.9899 GPRESSURE: 2157800 89.6561 -44.2766 -164.54 56.2827 -98.1874 -56.2783 -81.6691 41.2564 54.0258 PRESSAVG: 2157800 13.0727 -14.9249 -35.5125 -14.9249 -32.9887 -14.1254 -35.5125 -14.1254 32.0322 GPRESSAVG: 2157800 13.8639 -14.2304 -34.1964 -15.9543 -33.2451 -13.5515 -38.0807 -14.6034 31.1844 TIMING: 2157800 CPU: 6255.19, 0.00287199/step Wall: 6255.19, 0.00287199/step, 2.26744 hours remaining, 209.222656 MB of memory in use. ENERGY: 2157800 764.6278 2151.3903 1948.4869 120.2026 -206079.6890 17687.3436 0.0000 0.0000 34347.0952 -149060.5426 299.9617 -183407.6378 -148966.5146 298.6546 -18.6130 15.1648 558091.4657 4.0387 3.9344 PRESSURE: 2158000 -493.753 95.9866 91.2845 95.9862 -267.974 -69.691 91.2858 -69.6923 -91.08 GPRESSURE: 2158000 -498.781 143.703 104.289 -7.63063 -245.765 -31.6036 72.8072 -123.127 -13.9866 PRESSAVG: 2158000 -2.62637 -43.0302 19.9702 -43.0302 26.158 -28.4552 19.9702 -28.4553 -9.14592 GPRESSAVG: 2158000 -3.53378 -45.0903 20.6029 -41.9876 27.263 -28.5604 19.3574 -28.8365 -9.28228 TIMING: 2158000 CPU: 6255.77, 0.00287877/step Wall: 6255.77, 0.00287877/step, 2.27263 hours remaining, 209.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2158000 798.9470 2170.6977 1945.6190 125.6912 -205721.6897 17428.0362 0.0000 0.0000 34115.7751 -149136.9234 297.9415 -183252.6985 -149043.9102 299.4179 -284.2691 -252.8442 558450.6107 4.7952 4.8156 PRESSURE: 2158200 76.275 -212.718 32.444 -212.718 -0.116468 -46.2981 32.4449 -46.298 289.298 GPRESSURE: 2158200 100.221 -234.781 69.0312 -231.072 62.6418 -36.0438 69.67 -159.88 296.558 PRESSAVG: 2158200 1.07181 -49.8739 -44.7891 -49.8739 -8.74369 -23.4954 -44.7893 -23.4954 15.5143 GPRESSAVG: 2158200 1.13799 -47.765 -46.6834 -49.4075 -8.31061 -24.2172 -41.7125 -24.2796 14.7793 TIMING: 2158200 CPU: 6256.35, 0.00290248/step Wall: 6256.35, 0.00290248/step, 2.29119 hours remaining, 209.222656 MB of memory in use. ENERGY: 2158200 753.9805 2143.2797 1939.8829 109.1557 -206615.1090 18095.8288 0.0000 0.0000 34425.7949 -149147.1865 300.6490 -183572.9814 -149046.9273 298.8870 121.8188 153.1401 557821.1322 2.6141 2.5356 PRESSURE: 2158400 -103.523 10.7505 14.7904 10.7505 -113.127 2.37322 14.7904 2.37327 0.700833 GPRESSURE: 2158400 -57.7715 55.1195 16.4665 -31.9822 -109.093 -41.9474 0.543199 13.2238 43.1079 PRESSAVG: 2158400 13.3135 -11.6098 -40.2081 -11.6097 41.5701 -9.97979 -40.2081 -9.97986 -10.9358 GPRESSAVG: 2158400 13.6858 -11.7946 -39.3182 -13.0675 41.2405 -9.82511 -42.6747 -9.35405 -11.096 TIMING: 2158400 CPU: 6256.93, 0.00289412/step Wall: 6256.93, 0.00289412/step, 2.28442 hours remaining, 209.277344 MB of memory in use. ENERGY: 2158400 758.2421 2135.6253 1954.5958 122.8248 -206181.9937 17766.6643 0.0000 0.0000 34257.9269 -149186.1145 299.1830 -183444.0414 -149087.9123 298.9016 -71.9830 -41.2521 557988.3631 14.6493 14.6101 PRESSURE: 2158600 68.4034 154.559 -260.802 154.559 128.388 -78.3145 -260.801 -78.3145 15.1188 GPRESSURE: 2158600 150.848 75.5774 -143.643 205.634 148.47 -107.667 -324.221 -79.7687 9.0076 PRESSAVG: 2158600 7.62063 -18.1533 -96.3096 -18.1533 38.4429 -3.83896 -96.3095 -3.83895 -41.837 GPRESSAVG: 2158600 7.32711 -18.7467 -95.7017 -17.7379 39.4489 -4.33796 -96.554 -5.29941 -42.0988 TIMING: 2158600 CPU: 6257.51, 0.00288235/step Wall: 6257.51, 0.00288235/step, 2.27498 hours remaining, 209.343750 MB of memory in use. ENERGY: 2158600 750.3741 2090.1859 1947.4400 114.9056 -206281.4781 17784.7975 0.0000 0.0000 34451.9969 -149141.7781 300.8779 -183593.7750 -149040.3611 300.0374 70.6366 102.7753 555507.5573 1.4088 1.5591 PRESSURE: 2158800 71.8433 65.2905 -68.8978 65.29 61.123 -36.4634 -68.8982 -36.4618 131.066 GPRESSURE: 2158800 128.628 1.64549 -76.4906 1.49729 116.42 -127.444 -42.2867 31.2532 127.477 PRESSAVG: 2158800 40.7245 -9.17658 -46.2721 -9.17659 85.9433 -7.96065 -46.272 -7.96054 -66.4936 GPRESSAVG: 2158800 41.3957 -8.28619 -46.7268 -8.66942 84.4028 -8.50233 -44.6196 -7.32535 -65.2948 TIMING: 2158800 CPU: 6258.08, 0.00288126/step Wall: 6258.08, 0.00288126/step, 2.27395 hours remaining, 209.343750 MB of memory in use. ENERGY: 2158800 762.6496 2117.6675 1939.1234 116.8946 -206389.3202 17995.7878 0.0000 0.0000 34356.0431 -149101.1542 300.0399 -183457.1973 -149010.2916 300.0421 88.0107 124.1753 557034.4319 20.0581 20.1679 PRESSURE: 2159000 -221.799 -64.3724 -140.378 -64.3727 -402.267 -1.06409 -140.377 -1.06414 -76.248 GPRESSURE: 2159000 -156.548 -50.9817 -101.546 -80.344 -432.731 35.8539 -162.415 -36.6122 -11.4947 PRESSAVG: 2159000 24.1159 6.36025 -54.8221 6.3602 -46.9088 67.2165 -54.8221 67.2165 32.5145 GPRESSAVG: 2159000 22.9546 5.49355 -54.8173 6.5916 -46.3224 66.8785 -54.8039 67.272 32.2832 TIMING: 2159000 CPU: 6258.66, 0.00288654/step Wall: 6258.66, 0.00288654/step, 2.27796 hours remaining, 209.343750 MB of memory in use. ENERGY: 2159000 751.5432 2066.8072 1968.3131 123.7852 -206015.2916 17731.5053 0.0000 0.0000 34348.0458 -149025.2917 299.9700 -183373.3376 -148931.5903 299.7715 -233.4378 -200.2579 559569.1486 3.2405 2.9718 PRESSURE: 2159200 -86.1627 -66.0602 -139.431 -66.0605 -123.707 23.9175 -139.433 23.9184 -227.858 GPRESSURE: 2159200 -45.4435 -37.3083 -121.726 -79.1374 -43.7768 -48.6931 -158.675 84.7797 -232.306 PRESSAVG: 2159200 -7.33217 -18.8762 -18.4098 -18.8763 26.2108 37.4898 -18.4099 37.4897 2.01501 GPRESSAVG: 2159200 -7.2692 -18.957 -19.2271 -18.3461 25.6644 39.1293 -19.4721 39.2026 2.9817 TIMING: 2159200 CPU: 6259.24, 0.00289682/step Wall: 6259.24, 0.00289682/step, 2.28591 hours remaining, 209.343750 MB of memory in use. ENERGY: 2159200 753.3408 2107.6685 1945.6708 116.0422 -205796.9030 17649.6841 0.0000 0.0000 34291.9043 -148932.5923 299.4797 -183224.4966 -148832.9155 300.4632 -145.9093 -107.1753 558717.1527 6.9645 7.1256 PRESSURE: 2159400 -94.6795 -3.48658 -54.2139 -3.48744 -167.165 47.0381 -54.2141 47.0372 27.1804 GPRESSURE: 2159400 -73.6731 -49.5376 -112.53 34.9497 -166.898 7.16983 -12.6136 121.476 85.7015 PRESSAVG: 2159400 52.4155 35.2264 -5.83174 35.2263 -2.34156 49.5268 -5.8318 49.5268 -56.656 GPRESSAVG: 2159400 52.6737 35.8313 -5.71705 33.5681 -1.94564 47.5703 -5.26636 50.2277 -57.038 TIMING: 2159400 CPU: 6259.82, 0.00291959/step Wall: 6259.82, 0.00291959/step, 2.30372 hours remaining, 209.343750 MB of memory in use. ENERGY: 2159400 765.0086 2084.0179 1943.2998 104.5733 -205768.3258 17607.4367 0.0000 0.0000 34284.2337 -148979.7559 299.4127 -183263.9895 -148881.9356 299.9757 -78.2214 -51.6231 557527.4101 -2.1940 -2.1033 PRESSURE: 2159600 101.574 142.236 -73.6974 142.238 104.58 3.40217 -73.6978 3.40242 137.655 GPRESSURE: 2159600 128.573 58.3225 -63.3161 161.573 170.471 39.6883 -92.2564 10.1948 158.247 PRESSAVG: 2159600 -7.92184 44.5328 -18.1595 44.5328 2.4632 -45.0445 -18.1594 -45.0444 -2.92898 GPRESSAVG: 2159600 -7.85209 44.0129 -19.1027 47.0312 3.27295 -43.8054 -17.3066 -45.123 -2.92225 TIMING: 2159600 CPU: 6260.4, 0.00290187/step Wall: 6260.4, 0.00290187/step, 2.28958 hours remaining, 209.343750 MB of memory in use. ENERGY: 2159600 710.3164 2100.3884 1933.6695 130.3778 -205682.2580 17660.2705 0.0000 0.0000 34279.7768 -148867.4585 299.3738 -183147.2353 -148770.0320 300.2582 114.6030 152.4301 557355.1005 -2.7959 -2.5005 PRESSURE: 2159800 -110.804 -174.769 -72.6511 -174.77 -192.965 41.9302 -72.6509 41.9303 -10.4233 GPRESSURE: 2159800 -128.291 -152.119 -71.9165 -112.343 -140.024 17.8404 -127.363 74.5346 44.3482 PRESSAVG: 2159800 70.4356 24.6496 -0.396833 24.6497 -11.1719 9.40251 -0.396782 9.40249 -26.6385 GPRESSAVG: 2159800 70.2542 28.2333 1.26039 21.8182 -11.2355 8.7744 -2.44592 8.69702 -26.5154 TIMING: 2159800 CPU: 6260.98, 0.0028808/step Wall: 6260.98, 0.0028808/step, 2.27279 hours remaining, 209.343750 MB of memory in use. ENERGY: 2159800 792.0332 2116.8032 1947.1222 119.4865 -206169.9407 17848.3197 0.0000 0.0000 34365.7359 -148980.4400 300.1245 -183346.1759 -148884.1522 300.2744 -104.7309 -74.6557 557596.9501 10.8751 10.8344 PRESSURE: 2160000 77.0231 133.811 11.9836 133.811 159.637 -114.876 11.9819 -114.876 321.136 GPRESSURE: 2160000 50.9045 81.6961 18.2722 231.121 239.396 -133.497 41.3673 -176.518 362.814 PRESSAVG: 2160000 27.3356 48.0227 65.5691 48.0226 22.7402 33.9893 65.569 33.9892 -61.6825 GPRESSAVG: 2160000 28.6146 45.6621 64.6411 48.8498 22.053 34.2757 66.3952 34.5588 -61.9897 TIMING: 2160000 CPU: 6261.56, 0.00288498/step Wall: 6261.56, 0.00288498/step, 2.27593 hours remaining, 209.343750 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: 2160000 732.6935 2103.5717 1932.7807 117.8172 -205931.9980 17830.4188 0.0000 0.0000 34313.6761 -148901.0399 299.6699 -183214.7160 -148804.6013 298.9856 185.9319 217.7049 557620.8257 -3.8689 -3.7740 PRESSURE: 2160200 -287.895 59.491 96.4042 59.4904 -69.8225 -56.4988 96.4033 -56.4979 -19.0521 GPRESSURE: 2160200 -162.086 16.225 55.443 119.706 -29.466 -132.898 115.81 37.2743 -87.002 PRESSAVG: 2160200 -13.1938 49.2429 40.181 49.2429 15.6871 -4.87377 40.181 -4.87371 30.821 GPRESSAVG: 2160200 -13.0912 47.652 38.791 50.358 15.8843 -4.02715 41.927 -4.87098 30.6133 TIMING: 2160200 CPU: 6262.13, 0.00288529/step Wall: 6262.13, 0.00288529/step, 2.27601 hours remaining, 209.343750 MB of memory in use. ENERGY: 2160200 750.3349 2095.8615 1947.1851 115.8712 -205546.6478 17423.5576 0.0000 0.0000 34147.2074 -149066.6299 298.2161 -183213.8373 -148969.3929 299.3080 -125.5898 -92.8514 558294.1734 11.1048 11.1354 LDB: ============= START OF LOAD BALANCING ============== 6265.52 LDB: ============== END OF LOAD BALANCING =============== 6265.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6265.52 LDB: ============= START OF LOAD BALANCING ============== 6265.82 LDB: Largest compute 4820 load 0.022938 is 19.5% of average load 0.117887 LDB: Average compute 0.001737 is 1.5% of average load 0.117887 LDB: TIME 6265.82 LOAD: AVG 0.117887 MAX 0.178264 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.781 MB LDB: TIME 6265.82 LOAD: AVG 0.117887 MAX 0.178264 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.781 MB LDB: TIME 6265.82 LOAD: AVG 0.117887 MAX 0.178264 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.781 MB LDB: ============== END OF LOAD BALANCING =============== 6265.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6265.82 PRESSURE: 2160400 52.2152 16.1456 -213.993 16.1455 -275.811 -190.019 -213.993 -190.019 -24.4926 GPRESSURE: 2160400 -1.18733 -9.10909 -252.329 3.145 -156.578 -169.874 -203.898 -162.877 16.9963 PRESSAVG: 2160400 -113.89 7.42966 -16.1833 7.42968 26.5435 16.0625 -16.1833 16.0626 92.7599 GPRESSAVG: 2160400 -115.108 8.99171 -15.1005 6.07803 26.7923 14.8043 -19.5623 16.7839 94.0822 TIMING: 2160400 CPU: 6262.73, 0.00298045/step Wall: 6262.73, 0.00298045/step, 2.35091 hours remaining, 209.546875 MB of memory in use. ENERGY: 2160400 714.1877 2051.8885 1952.5469 126.7440 -205848.5572 17618.3419 0.0000 0.0000 34260.6408 -149124.2075 299.2067 -183384.8483 -149024.1055 299.7132 -82.6960 -46.9231 558615.9565 1.8044 1.9220 PRESSURE: 2160600 -112.381 32.9675 71.5767 32.9658 59.5604 -91.4997 71.577 -91.4989 -6.66179 GPRESSURE: 2160600 -120.003 16.9735 64.8347 17.0239 80.8937 -117.463 84.5417 -115.846 74.4874 PRESSAVG: 2160600 -51.8017 5.93455 7.19374 5.93447 39.9938 33.7635 7.19378 33.7635 26.1759 GPRESSAVG: 2160600 -51.7447 4.7405 8.43296 4.58378 39.5779 34.4947 9.65783 31.2881 27.1066 TIMING: 2160600 CPU: 6263.3, 0.0028765/step Wall: 6263.3, 0.0028765/step, 2.26876 hours remaining, 209.546875 MB of memory in use. ENERGY: 2160600 739.8521 2142.1211 1951.4280 104.4920 -206260.8626 17879.9826 0.0000 0.0000 34488.7984 -148954.1884 301.1993 -183442.9868 -148860.1730 300.1257 -19.8276 11.7927 558187.7611 4.7893 4.9799 PRESSURE: 2160800 -96.0666 -74.4951 163.558 -74.4946 94.6861 53.0801 163.557 53.0804 162.038 GPRESSURE: 2160800 -18.1586 -41.0035 125.916 -4.16712 102.197 64.3094 99.873 2.42163 176.774 PRESSAVG: 2160800 -90.086 33.0094 -19.2595 33.0092 -20.8512 -39.5358 -19.2595 -39.5358 145.149 GPRESSAVG: 2160800 -88.6985 34.2434 -22.0447 34.6727 -21.6113 -41.3019 -19.1628 -39.0766 144.593 TIMING: 2160800 CPU: 6263.89, 0.00290602/step Wall: 6263.89, 0.00290602/step, 2.29188 hours remaining, 209.546875 MB of memory in use. ENERGY: 2160800 780.2898 2097.2271 1941.1688 110.2269 -206231.5520 18007.0150 0.0000 0.0000 34299.3657 -148996.2586 299.5449 -183295.6243 -148902.7849 299.7279 53.5523 86.9372 558202.1317 11.4039 11.4277 PRESSURE: 2161000 -60.4788 -57.4628 -99.2043 -57.4619 20.4011 -32.2511 -99.2023 -32.2508 -133.94 GPRESSURE: 2161000 -24.7985 -125.418 -87.7878 -72.8411 75.6108 -42.8259 -28.9343 -61.9453 -133.154 PRESSAVG: 2161000 -15.2033 -15.8579 -77.8678 -15.8579 -19.1311 37.0888 -77.8679 37.0887 -31.1808 GPRESSAVG: 2161000 -15.823 -17.5452 -74.6748 -13.8819 -18.193 36.3567 -78.595 36.6797 -31.3653 TIMING: 2161000 CPU: 6264.47, 0.00290886/step Wall: 6264.47, 0.00290886/step, 2.29396 hours remaining, 209.546875 MB of memory in use. ENERGY: 2161000 747.7748 2131.9067 1957.9996 113.6135 -205772.3662 17709.7507 0.0000 0.0000 34291.9452 -148819.3758 299.4801 -183111.3210 -148719.8157 300.0721 -58.0058 -27.4474 559114.8767 -21.8384 -21.7937 PRESSURE: 2161200 36.6505 -111.854 30.2198 -111.854 250.616 -37.4373 30.218 -37.4358 -44.0589 GPRESSURE: 2161200 59.0333 -108.392 27.1691 -133.565 265.407 -73.0662 91.0123 -25.4376 43.6747 PRESSAVG: 2161200 68.7874 -76.9927 11.0191 -76.9925 -21.5219 -20.8916 11.0191 -20.8915 -37.5214 GPRESSAVG: 2161200 69.9821 -77.0488 10.5806 -77.8539 -23.0084 -20.2782 10.3515 -19.8398 -37.2617 TIMING: 2161200 CPU: 6265.05, 0.00289995/step Wall: 6265.05, 0.00289995/step, 2.28677 hours remaining, 209.546875 MB of memory in use. ENERGY: 2161200 812.0170 2074.2208 1933.3541 110.6931 -206345.5670 18084.9994 0.0000 0.0000 34545.8519 -148784.4309 301.6975 -183330.2827 -148684.1289 300.9847 81.0693 122.7050 557992.8746 3.2480 3.2374 PRESSURE: 2161400 -43.1411 -27.4591 151.82 -27.4601 -274.471 103.501 151.819 103.499 -41.6371 GPRESSURE: 2161400 -64.145 -12.8315 95.5833 -46.8975 -256.944 163.201 174.367 122.909 69.4366 PRESSAVG: 2161400 -19.1906 24.2167 36.3136 24.2167 37.2565 71.5337 36.3137 71.5337 30.9242 GPRESSAVG: 2161400 -19.7104 26.026 35.919 23.9016 37.6662 72.897 38.1129 70.8221 31.5648 TIMING: 2161400 CPU: 6265.62, 0.00288393/step Wall: 6265.62, 0.00288394/step, 2.27398 hours remaining, 209.546875 MB of memory in use. ENERGY: 2161400 755.0513 2110.8456 1922.1952 103.6151 -206211.7703 17780.2069 0.0000 0.0000 34649.7172 -148890.1391 302.6046 -183539.8562 -148793.5923 300.9692 -119.7498 -83.8843 557175.1287 16.3300 16.5069 PRESSURE: 2161600 199.176 -40.0404 139.157 -40.0411 4.74757 71.6787 139.157 71.6784 117.436 GPRESSURE: 2161600 248.406 0.855675 173.737 -92.201 105.691 124.883 125.108 25.5847 61.4205 PRESSAVG: 2161600 68.2696 -33.6656 -0.864475 -33.6656 -26.3944 26.4775 -0.864349 26.4775 -29.2979 GPRESSAVG: 2161600 68.0924 -34.0027 -2.37145 -32.8526 -24.6939 25.6798 -2.66627 27.965 -30.6007 TIMING: 2161600 CPU: 6266.2, 0.00288758/step Wall: 6266.2, 0.00288758/step, 2.2767 hours remaining, 209.546875 MB of memory in use. ENERGY: 2161600 722.1903 2164.7514 1913.9637 112.5185 -206035.7859 17812.6577 0.0000 0.0000 34425.8953 -148883.8090 300.6499 -183309.7044 -148785.5404 301.0306 107.1199 138.5057 557488.7315 4.1924 4.2659 PRESSURE: 2161800 132.52 56.2488 26.6267 56.2491 6.72094 -293.483 26.6273 -293.483 -64.3443 GPRESSURE: 2161800 132.211 117.122 30.1924 17.0911 106.941 -201.44 4.10984 -305.841 -71.7539 PRESSAVG: 2161800 -14.2768 32.1046 17.3157 32.1046 40.365 -30.9311 17.3158 -30.9311 -18.7029 GPRESSAVG: 2161800 -14.8041 31.9724 18.0718 31.3851 40.2152 -31.2222 17.9068 -32.0655 -17.947 TIMING: 2161800 CPU: 6266.78, 0.00288637/step Wall: 6266.78, 0.00288637/step, 2.27558 hours remaining, 209.546875 MB of memory in use. ENERGY: 2161800 734.7789 2133.9962 1929.1207 109.2394 -206062.9845 17760.4316 0.0000 0.0000 34589.4218 -148805.9959 302.0780 -183395.4177 -148710.2991 300.5586 24.9655 55.7994 558020.3272 2.4617 2.4880 PRESSURE: 2162000 -27.8349 -65.6262 3.59626 -65.6257 -275.962 85.5086 3.59638 85.509 -287.781 GPRESSURE: 2162000 46.3653 -84.2677 96.1124 -14.7884 -227.636 148.098 9.31155 13.9582 -322.537 PRESSAVG: 2162000 -18.1171 20.2968 25.8928 20.2968 3.88258 -20.6175 25.8928 -20.6174 -0.0350973 GPRESSAVG: 2162000 -17.1079 19.3876 26.4607 20.4356 2.95054 -19.2442 25.3177 -21.5202 -0.111934 TIMING: 2162000 CPU: 6267.36, 0.00289524/step Wall: 6267.36, 0.00289524/step, 2.28241 hours remaining, 209.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2162000 772.0115 2098.8390 1942.0328 110.6495 -205538.4816 17494.3100 0.0000 0.0000 34162.7206 -148957.9183 298.3515 -183120.6389 -148862.1517 299.5678 -197.1925 -167.9356 558630.2699 -4.7565 -4.7564 PRESSURE: 2162200 -194.936 -38.112 -16.8264 -38.1098 -203.369 90.1155 -16.8266 90.1163 10.9619 GPRESSURE: 2162200 -182.962 -57.6343 25.9597 -15.1994 -173.305 27.5597 -114.67 136.06 70.327 PRESSAVG: 2162200 -8.20755 15.6892 -41.4218 15.6892 -34.5547 -27.578 -41.4218 -27.5778 12.7236 GPRESSAVG: 2162200 -8.56863 15.874 -41.5193 15.3508 -33.6752 -28.0129 -41.3021 -27.5155 12.2912 TIMING: 2162200 CPU: 6267.94, 0.0029208/step Wall: 6267.94, 0.0029208/step, 2.3024 hours remaining, 209.617188 MB of memory in use. ENERGY: 2162200 741.4015 2029.2368 1944.4520 115.8401 -206069.2907 17755.2543 0.0000 0.0000 34435.7712 -149047.3347 300.7362 -183483.1059 -148944.0121 299.0615 -129.1145 -95.3132 558730.2567 -10.0129 -9.9842 PRESSURE: 2162400 -226.69 35.3179 -2.72553 35.3171 -152.17 -189.275 -2.72579 -189.275 -121.577 GPRESSURE: 2162400 -152.423 22.0549 -17.3566 -63.1037 -181.838 -156.412 50.3766 -203.773 -65.7452 PRESSAVG: 2162400 -1.50495 -8.41858 -21.0467 -8.41854 -5.85456 8.65646 -21.0468 8.65656 69.2875 GPRESSAVG: 2162400 -1.13637 -9.04349 -21.626 -6.94952 -5.94398 9.41919 -20.2646 9.23029 69.2897 TIMING: 2162400 CPU: 6268.52, 0.00290174/step Wall: 6268.52, 0.00290174/step, 2.28721 hours remaining, 209.617188 MB of memory in use. ENERGY: 2162400 730.2669 2127.1939 1965.1275 120.7191 -205758.3669 17534.9495 0.0000 0.0000 34261.6547 -149018.4554 299.2156 -183280.1101 -148924.2013 299.7996 -166.8126 -133.3354 559269.4472 20.6427 20.7364 PRESSURE: 2162600 -27.6818 10.7281 131.687 10.7268 -13.0299 -9.57463 131.686 -9.57522 37.3668 GPRESSURE: 2162600 -12.4728 -87.4018 114.626 -21.7662 69.9468 -61.8011 120.095 101.672 29.1768 PRESSAVG: 2162600 21.6824 60.7401 9.35855 60.7401 32.4073 22.7517 9.35861 22.7516 -56.5623 GPRESSAVG: 2162600 21.6577 60.0714 9.35418 61.7359 32.4508 21.8467 9.80559 22.5212 -56.724 TIMING: 2162600 CPU: 6269.1, 0.00288765/step Wall: 6269.1, 0.00288765/step, 2.27595 hours remaining, 209.820312 MB of memory in use. ENERGY: 2162600 699.1125 2100.9125 1946.7717 111.6211 -205876.4912 17644.4068 0.0000 0.0000 34414.3942 -148959.2724 300.5495 -183373.6666 -148860.0819 300.0028 -1.1150 28.8836 558996.1092 -0.8242 -0.8719 PRESSURE: 2162800 -137.51 88.3468 37.5211 88.3455 -26.343 18.302 37.5198 18.3022 -45.2819 GPRESSURE: 2162800 -45.4573 46.9719 85.219 111.291 -78.0506 27.1139 -53.2365 12.0416 12.3729 PRESSAVG: 2162800 -39.7085 -15.6342 5.84527 -15.6343 50.1189 9.96957 5.84527 9.96938 -3.78164 GPRESSAVG: 2162800 -40.5097 -14.4372 7.14654 -16.578 50.3267 9.08396 4.60484 11.2858 -3.85276 TIMING: 2162800 CPU: 6269.68, 0.00290342/step Wall: 6269.68, 0.00290342/step, 2.28821 hours remaining, 209.820312 MB of memory in use. ENERGY: 2162800 787.1065 2128.0222 1952.3615 112.1345 -205993.2730 17772.6778 0.0000 0.0000 34299.3198 -148941.6507 299.5445 -183240.9706 -148859.0864 299.6929 -69.7115 -37.0450 558095.5020 2.2096 1.9880 PRESSURE: 2163000 175.378 -5.7094 -215.008 -5.70887 61.7053 -48.3817 -215.009 -48.3817 -89.4695 GPRESSURE: 2163000 179.446 -15.0252 -210.812 -17.0646 85.5452 -137.622 -262.948 20.0615 -29.1897 PRESSAVG: 2163000 -11.9064 6.5276 -14.4836 6.5276 9.12493 -9.99564 -14.4836 -9.99564 -14.7154 GPRESSAVG: 2163000 -11.0131 6.12749 -16.497 6.9907 9.30871 -9.02607 -14.1072 -11.1542 -15.7511 TIMING: 2163000 CPU: 6270.26, 0.00289231/step Wall: 6270.26, 0.00289231/step, 2.2793 hours remaining, 209.820312 MB of memory in use. ENERGY: 2163000 773.3443 2056.0801 1955.7786 100.8823 -206049.7464 17857.3770 0.0000 0.0000 34320.9746 -148985.3096 299.7336 -183306.2842 -148889.2579 300.0307 49.2048 78.6005 556425.2798 -5.8323 -5.8185 PRESSURE: 2163200 -182.859 -112.481 -202.064 -112.48 173.182 -51.5618 -202.064 -51.5604 -124.447 GPRESSURE: 2163200 -120.581 -107.226 -287.983 -77.1019 212.883 9.81878 -164.755 60.8651 -122.499 PRESSAVG: 2163200 20.0337 29.7759 -51.6622 29.7759 -4.38699 -5.39057 -51.6622 -5.39049 -14.0216 GPRESSAVG: 2163200 20.8689 30.5853 -50.394 31.0614 -4.84899 -5.21462 -52.4545 -5.44406 -14.3274 TIMING: 2163200 CPU: 6270.84, 0.00288742/step Wall: 6270.84, 0.00288742/step, 2.27529 hours remaining, 209.820312 MB of memory in use. ENERGY: 2163200 750.4934 2122.4022 1945.3019 107.0068 -206062.7890 17800.0252 0.0000 0.0000 34387.1678 -148950.3918 300.3117 -183337.5596 -148854.0914 300.1428 -44.7083 -10.0654 556257.5424 0.5417 0.5642 PRESSURE: 2163400 183.94 -82.0854 205.125 -82.0863 91.2344 -122.219 205.124 -122.217 -8.29706 GPRESSURE: 2163400 217.545 -88.7693 151.375 -66.3565 79.5937 -55.8361 169.788 -115.068 59.7407 PRESSAVG: 2163400 -31.973 -26.9049 -40.038 -26.905 -1.74652 -22.7575 -40.0378 -22.7576 -21.8127 GPRESSAVG: 2163400 -31.8678 -28.8619 -39.8554 -26.2021 -2.84764 -22.9251 -38.4677 -23.6625 -20.5615 TIMING: 2163400 CPU: 6271.42, 0.00289195/step Wall: 6271.42, 0.00289195/step, 2.2787 hours remaining, 209.820312 MB of memory in use. ENERGY: 2163400 772.5532 2125.6437 1942.8524 108.2983 -205938.7685 17761.3988 0.0000 0.0000 34261.6891 -148966.3331 299.2159 -183228.0221 -148868.2938 299.7153 88.9590 118.9598 555286.8998 -18.5107 -18.4256 PRESSURE: 2163600 160.996 -56.9865 -9.35542 -56.9853 139.645 6.23291 -9.3542 6.23448 -135.654 GPRESSURE: 2163600 162.059 -17.3804 -7.06664 -35.4348 166.27 -30.742 13.9898 36.7161 -72.5506 PRESSAVG: 2163600 23.117 -5.50705 -7.17733 -5.50709 5.27718 50.6726 -7.17739 50.6726 1.48628 GPRESSAVG: 2163600 22.4098 -4.93457 -9.55474 -6.17179 6.21429 51.7547 -7.3052 51.0529 1.74966 TIMING: 2163600 CPU: 6271.99, 0.00289321/step Wall: 6271.99, 0.00289321/step, 2.27953 hours remaining, 209.820312 MB of memory in use. ENERGY: 2163600 734.7965 2095.5682 1952.9830 125.4243 -206224.3536 18048.2473 0.0000 0.0000 34228.9459 -149038.3884 298.9299 -183267.3342 -148935.9798 299.5522 54.9956 85.2593 559152.3984 9.9601 10.1246 PRESSURE: 2163800 -101.115 -217.948 39.6882 -217.949 -158.185 48.6742 39.6885 48.6735 -16.081 GPRESSURE: 2163800 -65.6236 -260.196 6.98772 -237.111 -163.921 -23.9935 -47.5926 79.9816 52.8527 PRESSAVG: 2163800 9.55766 -37.0706 17.1842 -37.0707 -9.05138 31.9082 17.1842 31.9083 33.8236 GPRESSAVG: 2163800 9.273 -36.2006 19.77 -38.2087 -8.44813 30.2358 17.1555 32.4175 32.6682 TIMING: 2163800 CPU: 6272.57, 0.00289991/step Wall: 6272.57, 0.00289991/step, 2.28465 hours remaining, 209.820312 MB of memory in use. ENERGY: 2163800 711.8654 2072.9207 1951.1974 113.6025 -205811.0255 17644.0222 0.0000 0.0000 34316.5710 -149000.8464 299.6952 -183317.4174 -148897.7451 299.6821 -91.7937 -58.8973 558815.4584 11.4433 11.1644 PRESSURE: 2164000 95.2524 2.01647 -43.3556 2.01753 -2.15231 26.6053 -43.3558 26.6052 -46.7587 GPRESSURE: 2164000 90.4342 -2.92396 -19.6296 101.191 63.957 3.15413 -39.5192 57.2593 -16.5652 PRESSAVG: 2164000 60.1572 -35.227 13.0078 -35.2271 -71.852 73.5401 13.0079 73.54 -18.3695 GPRESSAVG: 2164000 59.6537 -34.0801 14.3398 -35.8868 -71.8574 74.2297 12.7423 72.3527 -18.4708 TIMING: 2164000 CPU: 6273.15, 0.00288104/step Wall: 6273.15, 0.00288104/step, 2.26962 hours remaining, 209.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2164000 723.4640 2127.1721 1942.7494 111.8458 -205661.4922 17614.6401 0.0000 0.0000 34068.1172 -149073.5036 297.5253 -183141.6208 -148977.6405 299.1290 15.4471 45.9420 558508.6252 -10.0214 -10.2248 PRESSURE: 2164200 -144.762 -80.5501 2.31165 -80.55 -75.95 -8.76438 2.3116 -8.76433 -172.165 GPRESSURE: 2164200 -90.2313 -98.5031 59.095 -118.003 -50.4239 -2.16812 18.6671 -13.3941 -162.729 PRESSAVG: 2164200 11.9323 6.6958 72.4678 6.69582 -23.512 27.9578 72.4678 27.9578 5.43139 GPRESSAVG: 2164200 13.4725 7.51505 69.6487 5.73283 -25.3556 26.9361 71.1754 28.7713 5.86215 TIMING: 2164200 CPU: 6273.73, 0.00288613/step Wall: 6273.73, 0.00288613/step, 2.27347 hours remaining, 209.820312 MB of memory in use. ENERGY: 2164200 769.4114 2093.9403 1906.9447 119.2058 -205923.1112 17693.0452 0.0000 0.0000 34546.7260 -148793.8378 301.7052 -183340.5638 -148707.6639 299.9202 -130.9590 -101.1281 558988.3386 -2.0494 -2.0070 LDB: ============= START OF LOAD BALANCING ============== 6277.11 LDB: ============== END OF LOAD BALANCING =============== 6277.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6277.11 LDB: ============= START OF LOAD BALANCING ============== 6277.4 LDB: Largest compute 4820 load 0.024850 is 21.1% of average load 0.117857 LDB: Average compute 0.001734 is 1.5% of average load 0.117857 LDB: TIME 6277.41 LOAD: AVG 0.117857 MAX 0.181074 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.336 MB LDB: TIME 6277.41 LOAD: AVG 0.117857 MAX 0.181074 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.34 MB LDB: TIME 6277.41 LOAD: AVG 0.117857 MAX 0.181074 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.34 MB LDB: ============== END OF LOAD BALANCING =============== 6277.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6277.41 PRESSURE: 2164400 -207.498 -89.071 -68.7511 -89.071 94.5109 15.3027 -68.7497 15.3036 -222.029 GPRESSURE: 2164400 -195.493 -89.2176 -134.34 -81.0963 122.365 22.3858 -40.3562 -61.6561 -159.05 PRESSAVG: 2164400 -8.76407 1.78848 -20.6611 1.78847 7.01924 34.9364 -20.6611 34.9366 -41.9591 GPRESSAVG: 2164400 -10.3882 -1.19051 -18.0802 5.34273 7.89288 36.2116 -18.0318 34.2617 -41.2434 TIMING: 2164400 CPU: 6274.32, 0.00294915/step Wall: 6274.32, 0.00294915/step, 2.32295 hours remaining, 208.011719 MB of memory in use. ENERGY: 2164400 728.9770 2079.4323 1951.2243 110.7510 -205442.7378 17559.9516 0.0000 0.0000 34419.9346 -148592.4670 300.5978 -183012.4016 -148492.9773 300.2951 -111.6720 -77.3928 559107.6355 -14.5680 -14.5796 PRESSURE: 2164600 -269.561 266.702 -36.3235 266.702 -78.7965 27.1221 -36.3234 27.1232 9.83099 GPRESSURE: 2164600 -267.647 280.932 -73.9246 191.647 -21.9805 10.7985 -41.3606 32.8614 70.0502 PRESSAVG: 2164600 57.012 -19.0654 -27.9275 -19.0653 -10.3098 26.1651 -27.9275 26.165 -36.1674 GPRESSAVG: 2164600 57.2874 -16.9906 -31.0753 -21.6189 -10.0061 26.8913 -28.734 25.9064 -36.9059 TIMING: 2164600 CPU: 6274.9, 0.00289776/step Wall: 6274.9, 0.00289776/step, 2.28231 hours remaining, 208.011719 MB of memory in use. ENERGY: 2164600 748.8944 2055.7883 1955.5906 106.2549 -205454.3077 17645.5336 0.0000 0.0000 34144.6254 -148797.6204 298.1935 -182942.2458 -148705.9257 300.8161 -112.8420 -73.1925 557495.4082 3.5116 3.4585 PRESSURE: 2164800 89.6307 19.3394 210.168 19.3385 -191.765 -1.48079 210.167 -1.47932 97.3868 GPRESSURE: 2164800 129.286 -2.45229 199.123 10.2606 -185.456 74.1462 127.934 -149.453 162.12 PRESSAVG: 2164800 -62.2976 -32.3568 -29.0343 -32.3567 9.19346 -24.2406 -29.0343 -24.2407 48.4064 GPRESSAVG: 2164800 -63.3899 -33.1553 -27.4091 -29.8318 10.675 -24.2527 -28.3773 -26.5802 48.7553 TIMING: 2164800 CPU: 6275.47, 0.00288589/step Wall: 6275.47, 0.00288589/step, 2.2728 hours remaining, 208.011719 MB of memory in use. ENERGY: 2164800 727.6485 2130.0514 1940.0327 122.7616 -205872.7045 17696.1900 0.0000 0.0000 34387.5100 -148868.5103 300.3147 -183256.0203 -148774.2040 299.5255 -1.5826 35.3168 557315.4669 -1.5659 -1.3199 PRESSURE: 2165000 68.8489 -74.9953 -47.039 -74.9949 34.8377 165.292 -47.0375 165.292 42.6278 GPRESSURE: 2165000 136.574 -116.672 4.6885 9.96048 -2.66564 160.438 34.7503 78.8755 119.041 PRESSAVG: 2165000 -1.49572 0.928585 34.1748 0.928748 -43.6413 20.3312 34.1749 20.3311 36.937 GPRESSAVG: 2165000 -1.27674 2.26245 33.7156 -0.50639 -45.149 19.8127 32.2819 23.0638 38.1696 TIMING: 2165000 CPU: 6276.05, 0.00290146/step Wall: 6276.05, 0.00290146/step, 2.2849 hours remaining, 208.011719 MB of memory in use. ENERGY: 2165000 754.4899 2076.1267 1933.6315 112.8808 -206089.5889 17884.4764 0.0000 0.0000 34227.2778 -149100.7059 298.9153 -183327.9837 -149005.3832 299.8043 48.7715 84.3166 557009.5084 -2.7333 -2.7521 PRESSURE: 2165200 -156.177 136.264 -50.5748 136.264 -66.0648 101.591 -50.5748 101.592 -75.1891 GPRESSURE: 2165200 -103.257 84.6614 -36.2363 174.657 -76.3499 122.304 -5.11025 22.7239 -10.1242 PRESSAVG: 2165200 25.2017 0.766031 37.3193 0.766046 10.619 17.1235 37.3193 17.1235 -13.9054 GPRESSAVG: 2165200 25.5924 -0.968144 36.8775 1.13575 10.7933 16.8008 38.4123 16.218 -14.931 TIMING: 2165200 CPU: 6276.63, 0.00288982/step Wall: 6276.63, 0.00288982/step, 2.27557 hours remaining, 208.011719 MB of memory in use. ENERGY: 2165200 750.4013 2062.9600 1962.9170 111.0962 -205899.3274 17728.4811 0.0000 0.0000 34259.2674 -149024.2045 299.1947 -183283.4719 -148928.0682 299.6867 -99.1436 -63.2437 558735.1282 7.3051 7.1516 PRESSURE: 2165400 60.9293 -177.072 -81.5479 -177.073 -68.9553 -100.026 -81.5478 -100.026 -63.0766 GPRESSURE: 2165400 97.2506 -185.145 -135.376 -224.531 -46.5224 -133.011 -105.102 -160.777 -18.4729 PRESSAVG: 2165400 -55.3464 -47.8839 19.6095 -47.8839 25.6828 30.8692 19.6096 30.8691 9.06227 GPRESSAVG: 2165400 -54.4915 -45.4737 17.4751 -48.0854 25.4318 31.2581 20.4966 32.2548 8.33933 TIMING: 2165400 CPU: 6277.21, 0.00290015/step Wall: 6277.21, 0.00290015/step, 2.28355 hours remaining, 208.011719 MB of memory in use. ENERGY: 2165400 738.5464 2052.7542 1970.4115 119.2733 -206006.3141 17776.1512 0.0000 0.0000 34196.7094 -149152.4681 298.6484 -183349.1775 -149049.3666 299.0607 -23.7009 10.7518 558419.2763 -6.8671 -6.9068 PRESSURE: 2165600 -31.8696 109.237 -143.766 109.237 -211.007 24.8637 -143.766 24.8628 -27.4487 GPRESSURE: 2165600 -41.4647 128.679 -63.0825 102.167 -102.891 11.0152 -129.446 -13.6931 -33.8414 PRESSAVG: 2165600 -14.5547 -30.0082 -15.7985 -30.0083 42.3344 -24.2915 -15.7984 -24.2915 -36.721 GPRESSAVG: 2165600 -15.728 -32.1519 -13.2085 -28.6632 43.9814 -21.9273 -17.8519 -26.4093 -37.342 TIMING: 2165600 CPU: 6277.79, 0.00288277/step Wall: 6277.79, 0.00288277/step, 2.2697 hours remaining, 208.011719 MB of memory in use. ENERGY: 2165600 744.6784 2051.3111 1931.9528 106.8135 -205971.5505 17812.3374 0.0000 0.0000 34187.1844 -149137.2730 298.5652 -183324.4574 -149038.8029 298.9722 -90.1085 -59.3991 559520.8710 -2.9804 -3.0295 PRESSURE: 2165800 -113.777 35.3723 -181.197 35.3726 -218.857 -32.1142 -181.197 -32.1123 -231.978 GPRESSURE: 2165800 -77.69 -49.5018 -184.36 130.113 -153.7 8.13275 -229.64 -80.2256 -238.25 PRESSAVG: 2165800 -7.91787 45.3815 -41.3088 45.3815 -83.1847 -53.1699 -41.3088 -53.1699 48.0538 GPRESSAVG: 2165800 -7.7889 45.9889 -42.408 44.5418 -82.9468 -55.8405 -40.8042 -52.2357 48.4552 TIMING: 2165800 CPU: 6278.36, 0.00286712/step Wall: 6278.36, 0.00286712/step, 2.25722 hours remaining, 208.011719 MB of memory in use. ENERGY: 2165800 755.0246 2016.1378 1969.1400 118.7867 -206138.3249 17747.1306 0.0000 0.0000 34259.7647 -149272.3406 299.1990 -183532.1053 -149179.3735 298.8854 -188.2043 -156.5466 559769.0246 -14.3496 -14.0935 PRESSURE: 2166000 7.56551 82.1772 194.135 82.1776 -114.643 -188.836 194.136 -188.836 -138.04 GPRESSURE: 2166000 56.7902 73.3309 266.168 112.356 -74.1015 -208.856 126.548 -103.658 -124.446 PRESSAVG: 2166000 68.4476 30.7574 36.8524 30.7574 4.1811 -92.4878 36.8523 -92.4877 -20.6423 GPRESSAVG: 2166000 69.2117 31.7733 39.6153 31.4731 2.34704 -93.4015 35.3317 -90.5142 -19.9411 TIMING: 2166000 CPU: 6278.94, 0.00289106/step Wall: 6278.94, 0.00289106/step, 2.27591 hours remaining, 208.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2166000 789.2383 2030.1989 1921.9912 110.9105 -206362.4432 18097.5891 0.0000 0.0000 34205.3344 -149207.1809 298.7237 -183412.5152 -149108.8069 298.8284 -81.7057 -47.2524 559562.2338 17.3288 17.2059 PRESSURE: 2166200 32.2987 -96.4052 -11.0277 -96.4064 87.5293 -10.2013 -11.0271 -10.2014 -67.9803 GPRESSURE: 2166200 44.8005 -16.9899 7.30054 -85.6452 114.951 16.1616 -58.3467 -3.58259 -21.7615 PRESSAVG: 2166200 -14.8162 21.917 -10.5451 21.9171 33.0813 -87.1313 -10.5451 -87.1313 -8.77318 GPRESSAVG: 2166200 -15.5661 22.7921 -13.7881 21.3833 33.8879 -86.3241 -10.1176 -87.8516 -8.59959 TIMING: 2166200 CPU: 6279.52, 0.00291471/step Wall: 6279.52, 0.00291471/step, 2.29436 hours remaining, 208.011719 MB of memory in use. ENERGY: 2166200 757.7636 2104.3134 1932.4337 121.6090 -206392.5392 17939.2779 0.0000 0.0000 34450.6703 -149086.4713 300.8663 -183537.1415 -148992.6127 299.1830 17.2826 45.9968 558359.2669 3.1640 3.2407 PRESSURE: 2166400 -169.638 -143.019 -2.19618 -143.018 -45.3294 -69.1926 -2.19607 -69.1949 45.1562 GPRESSURE: 2166400 -151.147 -155.876 -16.867 -197.319 32.713 -37.6761 13.3743 -24.5585 45.8462 PRESSAVG: 2166400 -46.355 20.5184 -35.9882 20.5184 63.0167 -56.6541 -35.9882 -56.6542 33.8714 GPRESSAVG: 2166400 -45.6561 19.2868 -35.2999 19.9941 62.9096 -56.5868 -35.2887 -56.2081 32.867 TIMING: 2166400 CPU: 6280.1, 0.0028859/step Wall: 6280.1, 0.0028859/step, 2.27152 hours remaining, 208.011719 MB of memory in use. ENERGY: 2166400 751.5703 2045.4470 1959.8097 109.1729 -205977.0994 17755.2530 0.0000 0.0000 34284.6816 -149071.1648 299.4167 -183355.8465 -148979.8353 299.4734 -56.6036 -24.1958 558626.3852 16.8444 16.7069 PRESSURE: 2166600 91.9289 -55.5566 -95.8883 -55.5555 -43.9767 38.0769 -95.8883 38.0763 130.789 GPRESSURE: 2166600 167.775 -91.3874 -96.7814 -12.2727 15.6202 236.097 -124.094 -52.699 87.048 PRESSAVG: 2166600 -49.4971 -3.06437 -31.1852 -3.06438 -40.4396 -21.3514 -31.1852 -21.3515 68.669 GPRESSAVG: 2166600 -49.6778 -3.76326 -31.2083 -2.17703 -39.9199 -21.3444 -30.1804 -22.5042 68.3555 TIMING: 2166600 CPU: 6280.67, 0.0028705/step Wall: 6280.67, 0.0028705/step, 2.25924 hours remaining, 208.011719 MB of memory in use. ENERGY: 2166600 750.2466 2019.9665 1975.3740 111.3411 -206309.4077 17821.1565 0.0000 0.0000 34537.1940 -149094.1291 301.6219 -183631.3231 -148987.3511 299.7536 59.5805 90.1477 557896.2135 -7.0892 -7.0807 PRESSURE: 2166800 -185.149 -60.5476 151.655 -60.5476 -222.782 49.1855 151.654 49.1867 18.207 GPRESSURE: 2166800 -144.21 -50.6741 117.287 -38.3739 -207.902 55.6981 99.1324 -20.4268 58.3893 PRESSAVG: 2166800 -19.5912 10.393 -41.4747 10.3931 38.4959 -52.9554 -41.4747 -52.9554 -13.5849 GPRESSAVG: 2166800 -20.3108 12.0454 -43.3461 7.51468 37.775 -52.9888 -41.1772 -52.0326 -12.5731 TIMING: 2166800 CPU: 6281.25, 0.00289775/step Wall: 6281.25, 0.00289775/step, 2.28053 hours remaining, 208.011719 MB of memory in use. ENERGY: 2166800 795.4784 2016.4267 1936.2976 99.0779 -206014.4295 17569.0074 0.0000 0.0000 34640.3159 -148957.8256 302.5225 -183598.1414 -148860.4399 300.2601 -129.9078 -97.9078 556934.5348 1.7733 1.6304 PRESSURE: 2167000 -43.2856 -20.0024 0.741815 -20.003 60.3232 43.6924 0.741108 43.6935 -158.431 GPRESSURE: 2167000 -26.32 -32.9068 -143.901 -117.835 157.203 -23.9771 66.5828 92.7316 -152.544 PRESSAVG: 2167000 -32.6492 -8.5873 -53.7686 -8.58728 10.2288 11.5633 -53.7686 11.5633 35.4095 GPRESSAVG: 2167000 -32.0559 -11.7288 -52.2407 -5.43931 9.58962 11.9377 -55.0823 9.76874 35.5038 TIMING: 2167000 CPU: 6281.83, 0.00288286/step Wall: 6281.83, 0.00288286/step, 2.26865 hours remaining, 208.011719 MB of memory in use. ENERGY: 2167000 734.4884 2043.3930 1923.5977 119.4817 -206229.7826 17892.8472 0.0000 0.0000 34441.6287 -149074.3459 300.7873 -183515.9746 -148979.3781 299.6420 -47.1311 -7.2202 558198.8459 4.3297 4.3458 PRESSURE: 2167200 -73.9571 64.2458 -25.4296 64.2456 -122.678 -191.884 -25.4302 -191.884 -328.012 GPRESSURE: 2167200 9.23238 91.428 -41.4902 91.7339 -131.28 -218.148 -55.8731 -87.5915 -298.556 PRESSAVG: 2167200 17.3141 -36.531 -30.7932 -36.5309 54.2414 -22.1685 -30.7932 -22.1685 -44.9538 GPRESSAVG: 2167200 17.1583 -33.909 -31.7981 -37.4018 54.8715 -18.891 -30.9761 -22.586 -45.2894 TIMING: 2167200 CPU: 6282.41, 0.00288583/step Wall: 6282.41, 0.00288583/step, 2.27083 hours remaining, 208.011719 MB of memory in use. ENERGY: 2167200 773.0467 2046.6197 1939.5713 108.6917 -205637.6936 17478.2484 0.0000 0.0000 34314.5552 -148976.9606 299.6775 -183291.5158 -148879.2732 300.4221 -174.8826 -140.2014 557347.6182 8.8672 8.9135 PRESSURE: 2167400 -110.634 -85.3693 -102.217 -85.3706 -41.9301 -7.89393 -102.217 -7.89246 79.8353 GPRESSURE: 2167400 -105.08 -147.437 -187.559 -56.425 -30.7513 -53.6755 -93.3614 -14.225 161.518 PRESSAVG: 2167400 -29.6841 -47.731 -12.7724 -47.731 15.2249 -29.2617 -12.7724 -29.2616 11.436 GPRESSAVG: 2167400 -30.981 -49.9948 -11.5725 -48.4758 16.1463 -32.2371 -13.3597 -27.3212 11.545 TIMING: 2167400 CPU: 6282.98, 0.00286128/step Wall: 6282.98, 0.00286128/step, 2.25135 hours remaining, 208.011719 MB of memory in use. ENERGY: 2167400 684.7460 2030.7571 1932.6598 111.2203 -205535.1347 17605.9270 0.0000 0.0000 34098.0180 -149071.8066 297.7865 -183169.8246 -148971.4992 299.6115 -24.2429 8.5623 558732.3910 -1.0077 -1.0966 PRESSURE: 2167600 40.689 -4.36665 -24.4544 -4.36557 -178.034 54.1297 -24.4541 54.1299 186.09 GPRESSURE: 2167600 98.4337 -80.6075 -36.9113 58.6961 -93.7948 -32.4681 83.5323 130.577 153.911 PRESSAVG: 2167600 -49.3831 -13.4223 7.42483 -13.4224 9.22172 46.665 7.42479 46.6649 32.7298 GPRESSAVG: 2167600 -48.4556 -14.5188 7.95485 -11.0285 9.20768 45.812 8.47664 48.3265 31.6778 TIMING: 2167600 CPU: 6283.55, 0.0028746/step Wall: 6283.55, 0.0028746/step, 2.26167 hours remaining, 208.011719 MB of memory in use. ENERGY: 2167600 750.2732 2071.7488 1943.5693 122.1464 -206267.8752 17970.0146 0.0000 0.0000 34379.3636 -149030.7593 300.2435 -183410.1229 -148930.2779 298.9510 16.2484 52.8499 558094.6796 -2.4772 -2.5234 PRESSURE: 2167800 -58.0227 33.0677 -81.2814 33.068 -88.1499 28.9953 -81.2823 28.9946 -151.461 GPRESSURE: 2167800 -46.9271 -41.0505 -154.854 15.0381 -50.8434 41.345 33.8309 -41.7563 -109.492 PRESSAVG: 2167800 4.91714 4.30445 -22.7567 4.30439 -6.68468 16.405 -22.7568 16.405 -41.8432 GPRESSAVG: 2167800 4.80897 6.40811 -24.2011 3.38293 -6.6058 16.0858 -23.8546 14.9349 -41.5352 TIMING: 2167800 CPU: 6284.14, 0.00291442/step Wall: 6284.14, 0.00291442/step, 2.29284 hours remaining, 208.011719 MB of memory in use. ENERGY: 2167800 760.9191 2037.0358 1921.6970 117.6050 -206155.8717 17641.3112 0.0000 0.0000 34411.2389 -149266.0646 300.5219 -183677.3035 -149162.8246 299.6620 -99.2113 -69.0873 557571.5747 -14.5369 -14.4440 PRESSURE: 2168000 77.0703 -129.578 8.80536 -129.577 -186.431 114.887 8.80555 114.886 136.54 GPRESSURE: 2168000 140.195 -64.9404 26.9562 -78.1752 -167.494 145.492 14.1829 155.084 157.786 PRESSAVG: 2168000 15.3929 -34.2788 6.23719 -34.2787 2.60794 56.5746 6.23719 56.5745 -40.3092 GPRESSAVG: 2168000 16.0271 -34.4904 8.94624 -37.1523 1.62069 54.2744 7.39168 58.3147 -39.9633 TIMING: 2168000 CPU: 6284.72, 0.00290438/step Wall: 6284.72, 0.00290438/step, 2.28478 hours remaining, 208.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2168000 744.9603 2088.0479 1944.2453 102.1540 -206180.6949 17845.0360 0.0000 0.0000 34343.3065 -149112.9449 299.9286 -183456.2514 -149020.8499 299.0287 9.0597 43.4957 557710.2319 -7.4361 -7.4385 PRESSURE: 2168200 -35.2156 27.1056 -15.3693 27.1048 110.974 123.035 -15.3695 123.036 57.7782 GPRESSURE: 2168200 0.284815 -92.1015 97.8792 46.1348 151.102 173.824 -102.306 -15.2251 77.6926 PRESSAVG: 2168200 -9.64669 -47.3284 -2.78816 -47.3284 12.5507 -24.5684 -2.78821 -24.5684 9.14553 GPRESSAVG: 2168200 -10.468 -46.6422 -3.58128 -45.1767 13.4407 -22.8469 -3.77054 -26.2963 8.47257 TIMING: 2168200 CPU: 6285.3, 0.00291926/step Wall: 6285.3, 0.00291926/step, 2.29632 hours remaining, 208.011719 MB of memory in use. ENERGY: 2168200 725.4596 2122.9147 1944.5705 112.2018 -206371.6519 17908.6519 0.0000 0.0000 34323.3581 -149234.4954 299.7544 -183557.8535 -149141.4827 299.1830 44.5121 76.3598 557052.8388 4.0165 3.8151 LDB: ============= START OF LOAD BALANCING ============== 6288.69 LDB: ============== END OF LOAD BALANCING =============== 6288.69 LDB: =============== DONE WITH MIGRATION ================ 6288.69 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 6288.98 LDB: Largest compute 4820 load 0.023485 is 19.9% of average load 0.117877 LDB: Average compute 0.001747 is 1.5% of average load 0.117877 LDB: TIME 6288.98 LOAD: AVG 0.117877 MAX 0.180665 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.781 MB LDB: TIME 6288.98 LOAD: AVG 0.117877 MAX 0.180665 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.781 MB LDB: TIME 6288.98 LOAD: AVG 0.117877 MAX 0.180665 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.781 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6288.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6288.99 PRESSURE: 2168400 -236.854 56.3982 85.6146 56.3987 -189.931 94.1828 85.6146 94.182 215.447 GPRESSURE: 2168400 -218.254 72.3591 198.682 33.9889 -166.417 72.1632 63.1081 91.1955 280.134 PRESSAVG: 2168400 1.22143 -44.3756 -12.8742 -44.3757 6.70602 -6.25681 -12.8743 -6.25676 -15.0215 GPRESSAVG: 2168400 1.28487 -43.6382 -13.5266 -44.402 6.31152 -7.04112 -11.8674 -5.84241 -14.2565 TIMING: 2168400 CPU: 6285.89, 0.00293708/step Wall: 6285.89, 0.00293708/step, 2.31018 hours remaining, 209.296875 MB of memory in use. ENERGY: 2168400 743.2782 2079.7192 1952.0174 135.0466 -206120.7669 17728.1362 0.0000 0.0000 34190.6462 -149291.9232 298.5954 -183482.5694 -149200.9773 299.1701 -70.4461 -34.8457 558142.9014 -2.3647 -2.2200 PRESSURE: 2168600 -32.561 22.2196 154.694 22.2208 -200.766 152.425 154.694 152.425 -244.771 GPRESSURE: 2168600 -23.306 41.8753 155.512 59.0547 -147.752 134.748 143.333 161.855 -211.771 PRESSAVG: 2168600 -11.7806 -31.2058 56.7559 -31.2057 51.8951 -2.13897 56.756 -2.13889 -30.8779 GPRESSAVG: 2168600 -12.2217 -30.1488 57.5527 -32.2412 51.2663 -1.12719 55.6357 -0.725893 -30.1895 TIMING: 2168600 CPU: 6286.47, 0.00289418/step Wall: 6286.47, 0.00289418/step, 2.27627 hours remaining, 209.496094 MB of memory in use. ENERGY: 2168600 752.5927 2060.0862 1945.1537 111.9642 -206117.4171 17713.1807 0.0000 0.0000 34258.0857 -149276.3539 299.1844 -183534.4396 -149168.4791 299.0620 -159.3660 -127.6097 558352.1054 3.0789 2.9517 PRESSURE: 2168800 -110.597 -67.1041 123.333 -67.1024 -8.2561 -13.7611 123.334 -13.7612 -259.147 GPRESSURE: 2168800 -56.4279 -71.5965 156.726 -31.6442 36.1152 11.7064 9.35952 -45.2434 -256.929 PRESSAVG: 2168800 51.4526 -37.3608 -17.3002 -37.3609 7.39468 -19.0553 -17.3002 -19.0552 -74.2107 GPRESSAVG: 2168800 52.2972 -39.8584 -17.4948 -36.3487 8.42572 -16.9393 -17.6315 -19.609 -76.2548 TIMING: 2168800 CPU: 6287.04, 0.00287884/step Wall: 6287.04, 0.00287884/step, 2.26405 hours remaining, 209.496094 MB of memory in use. ENERGY: 2168800 809.7885 2075.9018 1987.4195 116.8078 -206422.6041 17879.4779 0.0000 0.0000 34311.3051 -149241.9035 299.6492 -183553.2085 -149146.7046 298.6773 -126.0002 -92.4139 559213.9956 -5.1212 -5.1773 PRESSURE: 2169000 154.443 266.912 -65.1632 266.912 57.5317 -57.6781 -65.163 -57.6792 73.0695 GPRESSURE: 2169000 195.071 195.857 52.3341 283.729 42.67 -81.2186 -60.0497 -109.017 136.03 PRESSAVG: 2169000 53.0031 -17.9622 19.1223 -17.9622 37.9182 -60.2976 19.1222 -60.2975 -65.7288 GPRESSAVG: 2169000 52.1403 -17.0814 17.9958 -18.8245 38.0719 -62.0226 21.0988 -60.3831 -64.9259 TIMING: 2169000 CPU: 6287.62, 0.00287606/step Wall: 6287.62, 0.00287606/step, 2.2617 hours remaining, 209.496094 MB of memory in use. ENERGY: 2169000 727.8887 2125.2583 1952.9154 114.7652 -206295.6478 17902.5554 0.0000 0.0000 34237.3964 -149234.8684 299.0037 -183472.2649 -149145.4815 299.7036 95.0147 124.5904 558759.5139 8.3975 8.4288 PRESSURE: 2169200 -131.157 149.957 -98.2848 149.957 -23.4072 -2.52357 -98.2839 -2.52362 -159.094 GPRESSURE: 2169200 -155.378 184.881 -130.998 75.4117 20.5469 4.57714 -39.8777 -0.849103 -73.3949 PRESSAVG: 2169200 -4.48653 -0.768851 18.3851 -0.768854 19.8763 28.4316 18.3852 28.4316 -27.9314 GPRESSAVG: 2169200 -4.1253 0.414109 18.1554 -1.98453 18.9424 28.8085 17.3164 28.9396 -27.5165 TIMING: 2169200 CPU: 6288.2, 0.0028975/step Wall: 6288.2, 0.0028975/step, 2.2784 hours remaining, 209.496094 MB of memory in use. ENERGY: 2169200 750.1362 2063.5525 1938.1803 107.1046 -206281.2989 17855.2523 0.0000 0.0000 34303.4732 -149263.5998 299.5808 -183567.0730 -149168.6537 298.2816 -104.5527 -69.4085 559280.9314 -4.1805 -4.2331 PRESSURE: 2169400 39.5426 -184.672 21.654 -184.671 -68.686 -67.5987 21.6542 -67.5982 -181.963 GPRESSURE: 2169400 38.4799 -242.259 44.465 -152.91 -45.5928 -82.2618 -55.9137 -2.73043 -101.28 PRESSAVG: 2169400 -26.0555 -28.4844 51.9849 -28.4844 13.5333 7.2119 51.9848 7.21186 50.7999 GPRESSAVG: 2169400 -25.9758 -31.9833 50.5788 -26.2191 13.9203 7.92391 52.8729 5.76574 50.5158 TIMING: 2169400 CPU: 6288.78, 0.00288688/step Wall: 6288.78, 0.00288688/step, 2.26989 hours remaining, 209.496094 MB of memory in use. ENERGY: 2169400 763.0653 2138.9490 1930.5158 104.0716 -206080.8548 17758.2061 0.0000 0.0000 34072.5580 -149313.4890 297.5641 -183386.0470 -149214.8564 299.0218 -70.3687 -36.1311 559152.9026 12.7592 12.8201 PRESSURE: 2169600 -84.3899 -154.66 -27.1985 -154.657 -65.5094 145.212 -27.1972 145.212 231.939 GPRESSURE: 2169600 -84.0581 -157.863 -49.8775 -81.8103 8.06909 116.97 -72.7957 139.417 264.442 PRESSAVG: 2169600 -18.3841 -11.76 11.9377 -11.76 -19.6918 -46.8538 11.9378 -46.8539 -18.6759 GPRESSAVG: 2169600 -18.4013 -8.72391 13.9313 -14.057 -19.3002 -49.8154 10.7321 -45.4556 -18.9177 TIMING: 2169600 CPU: 6289.35, 0.0028866/step Wall: 6289.35, 0.0028866/step, 2.26951 hours remaining, 209.496094 MB of memory in use. ENERGY: 2169600 753.5391 2114.1870 1949.0055 107.4162 -206457.7684 17923.0351 0.0000 0.0000 34407.2047 -149203.3808 300.4867 -183610.5855 -149104.1444 299.3070 27.3466 62.8178 556635.7833 -18.9173 -18.8730 PRESSURE: 2169800 -191.93 44.84 12.1781 44.8414 -183.545 129.066 12.1768 129.066 -55.998 GPRESSURE: 2169800 -186.958 3.64078 -51.4367 35.2153 -165.82 91.493 82.6992 217.614 22.3286 PRESSAVG: 2169800 -13.1984 -28.4311 -33.6703 -28.4312 -24.4971 29.7051 -33.6703 29.7051 15.7672 GPRESSAVG: 2169800 -13.7528 -28.046 -35.4859 -27.5429 -24.5555 33.1822 -32.3894 29.3101 16.5493 TIMING: 2169800 CPU: 6289.93, 0.00288604/step Wall: 6289.93, 0.00288604/step, 2.2689 hours remaining, 209.496094 MB of memory in use. ENERGY: 2169800 790.4198 2103.0233 1973.6550 109.4661 -205943.7445 17486.9446 0.0000 0.0000 34464.7235 -149015.5122 300.9890 -183480.2357 -148921.1919 300.1463 -143.8244 -110.1498 558357.5539 -7.3094 -7.2530 PRESSURE: 2170000 -61.5701 -130.065 -63.6661 -130.065 234.769 270.69 -63.6657 270.69 -32.0027 GPRESSURE: 2170000 -23.5585 -150.298 -102.394 -106.924 244.592 243.891 19.7154 205.911 28.8996 PRESSAVG: 2170000 -66.2465 -1.68144 -1.12342 -1.68141 53.9296 95.5412 -1.12343 95.5412 43.6345 GPRESSAVG: 2170000 -66.7133 -4.68813 -0.551195 -2.55549 53.32 95.2031 -0.534241 97.059 44.6986 TIMING: 2170000 CPU: 6290.51, 0.00289544/step Wall: 6290.51, 0.00289544/step, 2.27614 hours remaining, 209.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2170000 743.0822 2149.8245 1959.5950 108.6655 -206221.4279 17984.8126 0.0000 0.0000 34316.9492 -148958.4989 299.6985 -183275.4481 -148853.5173 301.0426 47.0654 83.3109 557966.2745 10.4392 10.4351 PRESSURE: 2170200 -109.675 -43.0349 -103.505 -43.0365 2.02597 22.6961 -103.503 22.6976 -227.505 GPRESSURE: 2170200 -45.579 -71.4209 -14.3728 -34.4184 28.2422 53.4224 -106.827 -9.65729 -208.347 PRESSAVG: 2170200 25.0377 -11.438 30.8404 -11.4382 -42.3694 -17.2185 30.8405 -17.2184 37.5453 GPRESSAVG: 2170200 24.7041 -12.0421 30.9442 -10.6506 -40.0074 -18.494 30.1534 -19.5087 35.3731 TIMING: 2170200 CPU: 6291.09, 0.00290499/step Wall: 6291.09, 0.00290499/step, 2.28348 hours remaining, 209.496094 MB of memory in use. ENERGY: 2170200 769.9880 2139.9516 1952.3116 112.9088 -205815.6339 17720.1493 0.0000 0.0000 34315.1784 -148805.1462 299.6830 -183120.3246 -148713.8669 300.0003 -111.7181 -75.2280 558772.7426 6.7379 6.6899 PRESSURE: 2170400 -11.9628 -57.2346 -0.502999 -57.236 173.314 108.649 -0.501131 108.65 -263.162 GPRESSURE: 2170400 28.1487 -10.2582 -141.455 -141.405 189.991 97.7948 64.9539 64.2784 -227.916 PRESSAVG: 2170400 -64.0877 -4.62787 5.46161 -4.62794 39.4342 34.8508 5.46167 34.8507 8.82685 GPRESSAVG: 2170400 -62.033 -3.22426 4.66952 -4.14645 37.7433 36.9842 6.55394 33.8004 9.00183 TIMING: 2170400 CPU: 6291.67, 0.00291431/step Wall: 6291.67, 0.00291431/step, 2.29064 hours remaining, 209.496094 MB of memory in use. ENERGY: 2170400 704.7680 2052.8794 1942.6013 111.3894 -205618.0547 17492.6433 0.0000 0.0000 34559.6894 -148754.0839 301.8184 -183313.7734 -148644.1952 300.2584 -33.9370 -3.2588 557990.0013 -5.2755 -5.0960 PRESSURE: 2170600 -81.6328 -34.46 -78.9515 -34.4616 -120.111 6.53593 -78.9506 6.53619 -132.883 GPRESSURE: 2170600 -45.8423 -49.9881 -37.1198 -40.4185 -126.966 89.6518 -106.153 -57.9306 -64.1807 PRESSAVG: 2170600 -1.56746 -37.3329 4.27424 -37.3329 72.9992 5.31511 4.27431 5.3151 -54.9573 GPRESSAVG: 2170600 -2.16409 -37.9215 2.67666 -36.6828 74.5992 4.52653 3.96755 8.51447 -56.1658 TIMING: 2170600 CPU: 6292.25, 0.0028953/step Wall: 6292.25, 0.0028953/step, 2.27554 hours remaining, 209.496094 MB of memory in use. ENERGY: 2170600 716.5059 2118.9354 1962.7986 114.1028 -205694.2820 17517.2196 0.0000 0.0000 34254.0068 -149010.7129 299.1488 -183264.7197 -148908.6008 300.2451 -111.5421 -78.9962 558848.5441 5.4915 5.4231 PRESSURE: 2170800 53.9268 25.0938 -5.2615 25.0927 177.278 -10.5247 -5.26066 -10.5254 -217.166 GPRESSURE: 2170800 93.8752 -105.809 -0.399942 90.5305 214.563 0.932995 -123.384 -11.8473 -198.359 PRESSAVG: 2170800 -35.7366 57.729 -22.2386 57.7289 10.3384 -65.199 -22.2386 -65.199 20.2137 GPRESSAVG: 2170800 -35.1016 57.4229 -20.496 56.9037 8.55407 -64.3495 -21.4682 -67.9726 20.9195 TIMING: 2170800 CPU: 6292.83, 0.00287905/step Wall: 6292.83, 0.00287905/step, 2.26261 hours remaining, 209.496094 MB of memory in use. ENERGY: 2170800 712.8488 2067.4913 1942.5459 110.8210 -206009.0005 17782.4492 0.0000 0.0000 34296.7972 -149096.0470 299.5225 -183392.8443 -149002.7815 299.2032 4.6796 36.6931 557746.2961 -1.7282 -1.8760 PRESSURE: 2171000 -142.627 -206.14 -51.7627 -206.139 47.022 59.2427 -51.7626 59.243 -286.594 GPRESSURE: 2171000 -94.0936 -138.642 -62.0578 -149.635 51.122 -19.5261 -18.5805 88.1402 -243.451 PRESSAVG: 2171000 28.087 -66.4677 -11.1865 -66.4677 21.0915 -9.94402 -11.1864 -9.94401 -54.6788 GPRESSAVG: 2171000 26.9046 -64.359 -10.9097 -67.2088 20.8717 -13.8418 -12.295 -9.62741 -53.8948 TIMING: 2171000 CPU: 6293.4, 0.00287777/step Wall: 6293.4, 0.00287777/step, 2.26145 hours remaining, 209.496094 MB of memory in use. ENERGY: 2171000 793.2329 2070.6689 1936.8210 112.2424 -206250.1024 17649.1282 0.0000 0.0000 34517.3468 -149170.6620 301.4486 -183688.0089 -149066.2883 299.7111 -127.3999 -95.4742 557794.7987 -1.8334 -2.0395 PRESSURE: 2171200 -6.26264 116.041 -176.093 116.04 11.8811 19.4829 -176.092 19.4824 139.248 GPRESSURE: 2171200 15.7458 81.8544 -175.353 24.3084 47.6076 10.4879 -128.181 17.0157 174.971 PRESSAVG: 2171200 -38.9362 -33.3181 -17.3351 -33.3181 43.0815 -35.3151 -17.3351 -35.3151 -19.5181 GPRESSAVG: 2171200 -39.0654 -34.8144 -17.2574 -31.9053 44.6311 -33.2378 -17.0625 -34.3235 -20.494 TIMING: 2171200 CPU: 6293.99, 0.00290635/step Wall: 6293.99, 0.00290635/step, 2.28374 hours remaining, 209.496094 MB of memory in use. ENERGY: 2171200 713.8740 2121.6745 1969.7733 102.7788 -206413.1683 17795.2223 0.0000 0.0000 34281.9860 -149427.8595 299.3931 -183709.8455 -149334.1391 298.9952 48.2889 79.4416 557083.6764 -5.1243 -4.9761 PRESSURE: 2171400 194.52 -92.5029 166.766 -92.5018 -58.9128 -196.992 166.767 -196.992 59.4328 GPRESSURE: 2171400 189.662 -177.839 156.987 10.8943 33.4636 -228.91 167.165 -139.737 74.943 PRESSAVG: 2171400 13.5968 -36.2303 -17.1137 -36.2303 36.2968 -16.0762 -17.1136 -16.0763 -4.62144 GPRESSAVG: 2171400 15.0048 -35.8483 -16.9504 -36.4926 34.7181 -15.4683 -17.033 -17.8341 -4.902 TIMING: 2171400 CPU: 6294.56, 0.00289492/step Wall: 6294.56, 0.00289492/step, 2.2746 hours remaining, 209.496094 MB of memory in use. ENERGY: 2171400 739.1524 2070.5289 1960.7184 92.6289 -206299.6652 17870.8695 0.0000 0.0000 34183.7460 -149382.0211 298.5352 -183565.7671 -149287.5403 299.0097 65.0133 99.3561 557419.3352 15.0907 14.9403 PRESSURE: 2171600 28.7923 -95.0909 159.146 -95.0904 -44.7074 118.007 159.145 118.01 179.623 GPRESSURE: 2171600 15.6893 -59.2112 181.886 12.7607 21.8258 104.302 131.172 91.0036 235.864 PRESSAVG: 2171600 -29.7398 -15.5877 -13.1506 -15.5877 -29.4062 16.4453 -13.1506 16.4454 4.40269 GPRESSAVG: 2171600 -31.075 -13.8256 -14.0702 -16.9849 -28.4292 14.8697 -13.4992 18.6852 5.35882 TIMING: 2171600 CPU: 6295.15, 0.00290463/step Wall: 6295.15, 0.00290463/step, 2.28207 hours remaining, 209.496094 MB of memory in use. ENERGY: 2171600 751.9686 2059.8423 1964.9911 107.2863 -206581.4374 18088.3926 0.0000 0.0000 34174.1486 -149434.8079 298.4513 -183608.9565 -149337.2706 297.2258 54.5694 91.1264 558687.2961 -18.2478 -18.0485 PRESSURE: 2171800 -3.15857 -114.395 -74.6644 -114.395 -77.1363 145.509 -74.6645 145.51 -80.5629 GPRESSURE: 2171800 49.7428 -144.425 9.16569 -90.5672 -58.3704 145.201 -110.476 207.107 -49.9316 PRESSAVG: 2171800 71.3872 12.1049 -15.3686 12.1048 -27.6905 45.0243 -15.3684 45.0242 32.376 GPRESSAVG: 2171800 72.526 10.628 -12.8723 14.7709 -27.4585 48.6119 -16.3602 44.1173 31.3832 TIMING: 2171800 CPU: 6295.73, 0.00290954/step Wall: 6295.73, 0.00290953/step, 2.28576 hours remaining, 209.496094 MB of memory in use. ENERGY: 2171800 713.0156 2085.1093 1948.0175 108.8250 -206249.0654 17714.1473 0.0000 0.0000 34303.7094 -149376.2414 299.5828 -183679.9508 -149277.4411 298.5407 -53.6193 -19.5197 556425.8168 25.3576 25.4836 PRESSURE: 2172000 -210.542 -12.9811 86.7489 -12.9809 -215.088 165.45 86.7491 165.451 -117.638 GPRESSURE: 2172000 -196.946 -71.8157 55.2458 -33.0152 -200.588 192.421 59.8403 203.469 -68.2812 PRESSAVG: 2172000 -13.031 27.2938 -15.6159 27.2937 -45.2566 -13.7059 -15.6159 -13.7059 70.2929 GPRESSAVG: 2172000 -14.4714 28.4516 -15.5788 24.8284 -44.3729 -15.9212 -14.9056 -12.9346 70.9613 TIMING: 2172000 CPU: 6296.31, 0.00291984/step Wall: 6296.31, 0.00291984/step, 2.2937 hours remaining, 209.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2172000 754.7293 2130.1645 1953.7142 108.4722 -206244.8022 17807.1775 0.0000 0.0000 34050.9397 -149439.6049 297.3753 -183490.5446 -149344.1317 298.6704 -181.0892 -155.2717 559184.5909 4.0018 4.0390 PRESSURE: 2172200 -184.128 -52.3632 -84.9827 -52.3631 -312.33 -193.538 -84.9816 -193.538 -33.2867 GPRESSURE: 2172200 -149.968 -57.4702 -155.623 -13.7966 -206.681 -205.073 16.851 -179.769 -72.2183 PRESSAVG: 2172200 -42.0168 24.2325 24.0809 24.2325 -12.0999 -36.9938 24.0809 -36.9939 78.0834 GPRESSAVG: 2172200 -40.5667 22.4531 19.6948 25.8832 -12.4857 -37.2514 26.7758 -35.8059 77.5042 TIMING: 2172200 CPU: 6296.89, 0.00287855/step Wall: 6296.89, 0.00287855/step, 2.2611 hours remaining, 209.496094 MB of memory in use. ENERGY: 2172200 766.8242 2078.2369 1930.1505 108.8055 -206206.8310 17745.4545 0.0000 0.0000 34204.8005 -149372.5589 298.7190 -183577.3594 -149278.3832 298.5004 -176.5818 -142.9558 559564.1121 7.9889 8.1506 LDB: ============= START OF LOAD BALANCING ============== 6300.27 LDB: ============== END OF LOAD BALANCING =============== 6300.27 LDB: =============== DONE WITH MIGRATION ================ 6300.27 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 6300.56 LDB: Largest compute 4820 load 0.023121 is 19.6% of average load 0.117959 LDB: Average compute 0.001741 is 1.5% of average load 0.117959 LDB: TIME 6300.56 LOAD: AVG 0.117959 MAX 0.178443 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.012 MB LDB: TIME 6300.56 LOAD: AVG 0.117959 MAX 0.178443 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.012 MB LDB: TIME 6300.56 LOAD: AVG 0.117959 MAX 0.178443 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.012 MB LDB: ============== END OF LOAD BALANCING =============== 6300.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6300.57 PRESSURE: 2172400 -145.732 -93.4354 -128.328 -93.4348 164.783 -90.513 -128.328 -90.512 -176.988 GPRESSURE: 2172400 -81.0415 -129.391 -105.37 -85.9729 151.6 -118.828 -129.785 -131.4 -132.344 PRESSAVG: 2172400 13.9764 6.76484 -15.0319 6.76475 -91.9753 -12.0633 -15.0318 -12.0632 32.612 GPRESSAVG: 2172400 11.7437 7.43013 -13.0081 5.67096 -91.0448 -12.2295 -16.3891 -12.0081 33.9217 TIMING: 2172400 CPU: 6297.47, 0.00293532/step Wall: 6297.47, 0.00293532/step, 2.30553 hours remaining, 208.976562 MB of memory in use. ENERGY: 2172400 729.8280 2112.0613 1930.9252 125.4988 -205960.4651 17584.0425 0.0000 0.0000 34173.4750 -149304.6342 298.4455 -183478.1092 -149211.7057 298.7049 -52.6458 -20.5955 557593.9686 -15.1290 -15.1265 PRESSURE: 2172600 -73.1815 95.2976 -39.9482 95.2987 -90.3755 33.0763 -39.9475 33.076 -52.846 GPRESSURE: 2172600 -4.78638 96.7032 2.07682 118.235 -73.8677 40.6124 -120.571 46.6243 -40.9824 PRESSAVG: 2172600 32.1757 -3.95888 0.1461 -3.959 10.8884 -10.1904 0.146092 -10.1906 -34.9538 GPRESSAVG: 2172600 33.4374 -3.70526 1.78378 -2.05953 9.63965 -9.24577 -0.308609 -10.4624 -35.3552 TIMING: 2172600 CPU: 6298.05, 0.00289172/step Wall: 6298.05, 0.00289172/step, 2.27113 hours remaining, 208.976562 MB of memory in use. ENERGY: 2172600 757.6499 2086.7268 1949.0193 102.0143 -205928.6524 17544.1695 0.0000 0.0000 34181.1117 -149307.9609 298.5122 -183489.0726 -149212.8583 298.6204 -72.1343 -39.8788 557621.6792 2.7034 2.5740 PRESSURE: 2172800 -45.1292 19.3128 -158.566 19.3134 -119.58 70.2383 -158.565 70.239 -170.063 GPRESSURE: 2172800 -20.1814 33.5078 -222.909 89.4317 -112.741 59.8091 -193.004 125.9 -113.553 PRESSAVG: 2172800 55.2928 34.3526 11.9255 34.3527 -68.1221 9.5656 11.9255 9.56555 -2.83627 GPRESSAVG: 2172800 54.7821 34.9763 8.54132 31.6949 -67.7235 10.4363 13.1987 9.07334 -2.85083 TIMING: 2172800 CPU: 6298.63, 0.00289077/step Wall: 6298.63, 0.00289077/step, 2.27022 hours remaining, 208.976562 MB of memory in use. ENERGY: 2172800 754.2681 2121.2563 1984.1940 101.7338 -206074.8543 17687.4650 0.0000 0.0000 34037.1808 -149388.7563 297.2552 -183425.9371 -149291.9687 298.7489 -111.5906 -82.1586 557489.2534 -5.2219 -5.2641 PRESSURE: 2173000 -201.469 55.4857 -25.8095 55.4869 -257.064 34.2064 -25.8101 34.2066 51.7694 GPRESSURE: 2173000 -140.149 120.387 -36.7512 18.617 -256.386 114.586 19.3939 19.0173 94.8266 PRESSAVG: 2173000 61.564 -3.07242 -10.2649 -3.07239 -85.4668 49.7465 -10.2649 49.7466 50.3041 GPRESSAVG: 2173000 62.8309 -2.41621 -8.0728 -1.81197 -85.7972 47.4562 -11.309 49.6878 49.2713 TIMING: 2173000 CPU: 6299.21, 0.00290497/step Wall: 6299.21, 0.00290497/step, 2.28121 hours remaining, 208.976562 MB of memory in use. ENERGY: 2173000 742.5443 2061.2097 1949.0191 103.1008 -206208.1279 17586.2210 0.0000 0.0000 34461.0517 -149304.9812 300.9569 -183766.0328 -149203.6470 298.5789 -135.5879 -100.5697 556577.6996 8.8004 8.7683 PRESSURE: 2173200 -93.5407 126.28 189.517 126.279 134.989 79.9712 189.514 79.9714 90.5665 GPRESSURE: 2173200 -79.1701 164.977 170.342 133.869 181.67 6.75311 157.869 58.3982 127.826 PRESSAVG: 2173200 -49.1585 2.92627 1.64794 2.92629 11.8628 4.862 1.64794 4.86197 41.8706 GPRESSAVG: 2173200 -49.3925 1.20542 2.10362 3.66648 10.7393 5.86302 0.786334 5.5852 42.8768 TIMING: 2173200 CPU: 6299.79, 0.00289074/step Wall: 6299.79, 0.00289074/step, 2.26988 hours remaining, 208.976562 MB of memory in use. ENERGY: 2173200 760.9420 2069.2408 1928.1809 113.8127 -206242.3811 17770.0743 0.0000 0.0000 34187.8581 -149412.2723 298.5711 -183600.1304 -149317.0618 298.5586 44.0048 76.7754 557178.5331 1.5250 1.4078 PRESSURE: 2173400 -145.858 -24.4527 35.5171 -24.4525 44.6007 -100.322 35.5177 -100.323 146.203 GPRESSURE: 2173400 -68.6946 46.9685 23.4203 -5.04263 77.1153 -136.475 42.6835 -87.7746 146.828 PRESSAVG: 2173400 -14.6073 21.6783 29.4993 21.6783 31.7785 29.3553 29.4994 29.3554 -23.7123 GPRESSAVG: 2173400 -14.5584 23.9657 31.1699 20.6297 32.9061 28.959 28.1822 27.0203 -24.6681 TIMING: 2173400 CPU: 6300.36, 0.00287023/step Wall: 6300.36, 0.00287023/step, 2.25361 hours remaining, 208.976562 MB of memory in use. ENERGY: 2173400 742.6237 2063.6104 1952.2477 105.6577 -206231.6183 17750.1604 0.0000 0.0000 34233.5328 -149383.7856 298.9700 -183617.3184 -149288.2172 299.1680 14.9818 51.7494 556468.2739 -2.1804 -2.1068 PRESSURE: 2173600 -82.286 26.8717 -113.705 26.8721 -78.5911 -37.1455 -113.705 -37.1471 69.0804 GPRESSURE: 2173600 -107.241 -20.7748 -96.7847 37.4444 3.10757 -62.2648 -137.063 -2.67483 100.067 PRESSAVG: 2173600 3.96991 -23.7091 6.40174 -23.7091 27.6648 -34.1189 6.40186 -34.1189 6.81288 GPRESSAVG: 2173600 4.26176 -24.1151 5.27579 -23.1224 26.9858 -31.6782 9.09167 -34.9855 6.77363 TIMING: 2173600 CPU: 6300.94, 0.00286601/step Wall: 6300.94, 0.00286601/step, 2.25014 hours remaining, 208.976562 MB of memory in use. ENERGY: 2173600 734.1480 2086.2020 1981.9434 122.3908 -206257.2767 17746.7674 0.0000 0.0000 34210.6361 -149375.1890 298.7700 -183585.8251 -149289.4672 298.9031 -30.5989 -1.3553 557852.5218 12.8159 12.6737 PRESSURE: 2173800 210.95 47.2135 61.081 47.213 -79.3286 151.94 61.0833 151.941 153.527 GPRESSURE: 2173800 278.73 -19.5203 129.577 47.2625 -77.2237 179.978 37.9014 173.896 166.092 PRESSAVG: 2173800 35.2344 -22.2003 3.03336 -22.2003 -50.1965 -35.5485 3.03353 -35.5486 41.0176 GPRESSAVG: 2173800 34.5503 -25.8543 1.60075 -21.5799 -49.6209 -38.148 2.37826 -34.4425 41.3179 TIMING: 2173800 CPU: 6301.52, 0.00289285/step Wall: 6301.52, 0.00289285/step, 2.27105 hours remaining, 208.976562 MB of memory in use. ENERGY: 2173800 730.9867 2113.7285 1940.1542 109.2923 -206370.3072 17926.3949 0.0000 0.0000 34431.6820 -149118.0685 300.7004 -183549.7505 -149019.9787 299.5695 95.0495 122.5327 557595.4417 8.6851 8.7491 PRESSURE: 2174000 -56.8372 71.8728 165.04 71.8723 -311.97 -113.317 165.039 -113.318 -144.904 GPRESSURE: 2174000 -57.1993 68.5732 149.499 16.4307 -265.816 -172.997 170.974 -95.1673 -98.8714 PRESSAVG: 2174000 12.2753 21.0031 11.9437 21.0031 -11.6209 -43.5984 11.9437 -43.5985 30.4052 GPRESSAVG: 2174000 11.9186 24.1993 12.3227 19.4637 -11.2417 -43.8407 10.1615 -42.0088 29.8752 TIMING: 2174000 CPU: 6302.09, 0.00288537/step Wall: 6302.09, 0.00288537/step, 2.26501 hours remaining, 208.976562 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: 2174000 734.2114 2094.1945 1954.4631 114.3572 -205727.2792 17509.7870 0.0000 0.0000 34142.9299 -149177.3362 298.1787 -183320.2661 -149078.7181 299.3395 -171.2368 -140.6288 557597.6406 10.3532 10.1840 PRESSURE: 2174200 16.0415 113.309 175.897 113.309 -105.476 -14.3382 175.896 -14.3391 -64.1022 GPRESSURE: 2174200 40.9482 131.78 205.13 141.676 -70.4775 -118.668 119.141 4.95055 -28.6322 PRESSAVG: 2174200 -3.7678 16.1072 3.45594 16.1072 55.6649 -11.2449 3.456 -11.2449 -100.237 GPRESSAVG: 2174200 -4.42482 16.2176 3.51849 17.1504 56.0012 -10.8061 4.88048 -12.3135 -99.4464 TIMING: 2174200 CPU: 6302.68, 0.0029106/step Wall: 6302.68, 0.0029106/step, 2.28466 hours remaining, 208.976562 MB of memory in use. ENERGY: 2174200 752.5231 2033.6736 1978.4709 115.6299 -206049.1939 17560.1767 0.0000 0.0000 34340.2470 -149268.4728 299.9019 -183608.7197 -149176.1171 300.0651 -51.1788 -19.3872 556279.7073 -16.1133 -15.9567 PRESSURE: 2174400 235.22 38.3324 48.8539 38.3316 -44.5237 26.5143 48.8535 26.5148 -45.7796 GPRESSURE: 2174400 234.565 28.9016 16.2017 9.24442 19.8303 102.086 22.5345 -30.6717 -19.4781 PRESSAVG: 2174400 -33.7447 4.26973 61.994 4.26979 47.6595 38.4633 61.9941 38.4634 -6.46488 GPRESSAVG: 2174400 -33.2302 4.01924 63.5889 4.42457 47.3977 38.7307 59.3654 39.1682 -6.52192 TIMING: 2174400 CPU: 6303.26, 0.00290028/step Wall: 6303.26, 0.00290028/step, 2.2764 hours remaining, 208.976562 MB of memory in use. ENERGY: 2174400 717.4220 2089.2849 1971.0994 122.9426 -206375.0908 17847.0871 0.0000 0.0000 34219.0686 -149408.1863 298.8436 -183627.2549 -149313.7235 299.6844 48.3056 78.3059 556017.3979 2.4833 2.5485 PRESSURE: 2174600 -134.251 17.2001 -37.4909 17.2009 -286.403 37.8116 -37.4907 37.811 21.5307 GPRESSURE: 2174600 -69.7851 -38.1681 -19.1948 64.6394 -258.614 95.6514 -30.4725 -8.92296 34.7937 PRESSAVG: 2174600 -22.2329 41.0642 10.9335 41.0642 -26.7443 24.7072 10.9335 24.7073 34.2675 GPRESSAVG: 2174600 -20.9965 40.3303 9.38238 40.3826 -26.6673 25.8967 13.1828 24.7352 32.3856 TIMING: 2174600 CPU: 6303.84, 0.00292973/step Wall: 6303.84, 0.00292973/step, 2.29935 hours remaining, 208.976562 MB of memory in use. ENERGY: 2174600 794.4073 2060.4961 1950.8005 101.6470 -206255.0409 17847.0673 0.0000 0.0000 34166.0454 -149334.5773 298.3806 -183500.6227 -149234.6425 299.5519 -133.0412 -97.8685 556956.1105 -4.9032 -5.0928 PRESSURE: 2174800 -151.236 70.9647 -26.7782 70.9652 66.9158 64.0461 -26.778 64.0464 -108.852 GPRESSURE: 2174800 -70.9714 52.9406 -9.4737 103.444 22.6294 46.9651 -68.6065 68.1522 -55.979 PRESSAVG: 2174800 -16.181 6.39072 -7.00214 6.3907 -11.0853 23.5864 -7.00216 23.5864 5.0621 GPRESSAVG: 2174800 -16.533 5.91397 -6.78988 6.66047 -11.1173 21.5658 -7.52639 23.4707 5.72631 TIMING: 2174800 CPU: 6304.42, 0.00290743/step Wall: 6304.42, 0.00290743/step, 2.28169 hours remaining, 208.976562 MB of memory in use. ENERGY: 2174800 783.5699 2124.5953 1973.3706 108.4688 -206224.3834 17877.1106 0.0000 0.0000 34172.5346 -149184.7336 298.4372 -183357.2683 -149100.5426 299.1626 -64.3908 -34.7737 557975.8951 -7.4014 -7.3080 PRESSURE: 2175000 -366.927 32.4392 -114.394 32.439 -177.087 58.7596 -114.393 58.7572 -323.052 GPRESSURE: 2175000 -387.189 59.7525 -82.346 -24.9892 -131.042 55.9553 -97.9313 95.694 -236.778 PRESSAVG: 2175000 -34.7247 1.16706 12.7978 1.16708 -6.36113 -27.0408 12.7979 -27.0407 36.5577 GPRESSAVG: 2175000 -35.6131 2.02426 12.8357 2.44914 -6.09119 -25.6134 14.4899 -28.6742 37.396 TIMING: 2175000 CPU: 6305.01, 0.00291404/step Wall: 6305.01, 0.00291404/step, 2.28671 hours remaining, 208.976562 MB of memory in use. ENERGY: 2175000 764.3980 2108.3308 1944.9200 114.5609 -205839.1086 17385.4232 0.0000 0.0000 34129.7073 -149391.7686 298.0632 -183521.4758 -149300.6356 299.4117 -289.0220 -251.6694 556017.4805 -1.5094 -1.4361 PRESSURE: 2175200 -23.1174 4.53189 -92.8267 4.53253 373.993 -31.5643 -92.8263 -31.5639 -148.304 GPRESSURE: 2175200 12.9748 75.1042 -27.217 -73.3505 408.091 38.6945 -31.4624 -107.939 -119.021 PRESSAVG: 2175200 -0.721527 56.273 -35.7616 56.2729 27.2872 17.5748 -35.7614 17.5748 -20.9778 GPRESSAVG: 2175200 0.0923919 56.5037 -35.1612 54.4769 25.9254 17.3978 -35.4886 19.1774 -20.9924 TIMING: 2175200 CPU: 6305.59, 0.00290299/step Wall: 6305.59, 0.00290299/step, 2.27788 hours remaining, 208.976562 MB of memory in use. ENERGY: 2175200 742.7892 2069.0191 1937.0996 113.6930 -206432.2440 17945.7723 0.0000 0.0000 34337.7773 -149286.0935 299.8803 -183623.8708 -149199.9996 298.7454 67.5241 100.6818 557092.5553 1.8626 1.6751 PRESSURE: 2175400 -99.651 160.139 -69.5427 160.14 61.3955 72.9005 -69.543 72.9006 316.199 GPRESSURE: 2175400 -74.3414 32.633 -108.552 197.898 74.0695 72.3752 -29.1639 29.6323 395.03 PRESSAVG: 2175400 -29.8767 29.132 29.6053 29.132 58.0801 24.3723 29.6053 24.3723 -33.3768 GPRESSAVG: 2175400 -29.823 27.4471 29.6142 29.955 58.2273 26.2033 28.5198 22.7322 -33.8704 TIMING: 2175400 CPU: 6306.17, 0.0029055/step Wall: 6306.17, 0.0029055/step, 2.27969 hours remaining, 208.976562 MB of memory in use. ENERGY: 2175400 763.9135 2043.8934 1915.7943 119.6531 -206504.7078 18000.6863 0.0000 0.0000 34384.4302 -149276.3370 300.2878 -183660.7672 -149179.0703 298.6900 92.6478 131.5860 556374.2084 -1.7245 -1.8220 PRESSURE: 2175600 -128.947 -111.157 101.903 -111.157 -57.7096 -27.2445 101.904 -27.2459 177.544 GPRESSURE: 2175600 -99.4118 -90.2898 98.6106 -73.9027 -13.7398 5.42003 63.58 -68.8082 184.09 PRESSAVG: 2175600 -41.7603 -28.8479 -12.3042 -28.8479 20.8766 21.5422 -12.3042 21.5421 -2.43919 GPRESSAVG: 2175600 -41.5841 -28.6915 -12.2232 -29.9967 20.4751 19.0304 -13.962 22.9186 -2.27096 TIMING: 2175600 CPU: 6306.75, 0.00289524/step Wall: 6306.75, 0.00289524/step, 2.27148 hours remaining, 208.976562 MB of memory in use. ENERGY: 2175600 757.2797 2124.5087 1947.7467 112.0647 -205815.9173 17620.2940 0.0000 0.0000 34102.6719 -149151.3516 297.8271 -183254.0236 -149057.1728 298.8515 -3.0375 23.6461 558280.8064 -7.7743 -7.7933 PRESSURE: 2175800 24.8173 -136.032 -98.9957 -136.033 96.8206 44.4755 -98.9959 44.4741 102.594 GPRESSURE: 2175800 87.3331 -220.556 -113.092 -81.7661 95.881 68.8547 -117.201 115.129 147.97 PRESSAVG: 2175800 11.6444 -9.01749 -66.8831 -9.01751 31.5133 -5.27792 -66.8832 -5.27793 -26.9728 GPRESSAVG: 2175800 10.4512 -7.69162 -66.2851 -8.65827 32.3996 -3.19455 -67.7536 -6.23404 -26.7067 TIMING: 2175800 CPU: 6307.33, 0.00290391/step Wall: 6307.33, 0.00290391/step, 2.27811 hours remaining, 208.976562 MB of memory in use. ENERGY: 2175800 736.3943 2101.2375 1905.7183 119.3220 -206320.5009 17821.1593 0.0000 0.0000 34334.9778 -149301.6917 299.8559 -183636.6695 -149206.6732 298.9870 74.7439 110.3946 557589.2955 5.3950 5.3814 PRESSURE: 2176000 43.9274 -114.245 177.465 -114.245 -137.034 77.2599 177.465 77.2588 -206.341 GPRESSURE: 2176000 92.9939 38.9688 209.918 -165.862 -103.929 24.8803 85.6962 19.4303 -181.557 PRESSAVG: 2176000 -50.3415 -20.4729 25.5078 -20.4729 22.3294 16.3567 25.5078 16.3567 -14.8368 GPRESSAVG: 2176000 -49.8174 -21.8198 24.9178 -19.9806 22.6975 17.0821 26.8268 15.7227 -15.8882 TIMING: 2176000 CPU: 6307.91, 0.0028997/step Wall: 6307.91, 0.0028997/step, 2.27465 hours remaining, 208.976562 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: 2176000 721.7269 2085.8333 1937.0361 122.2864 -206245.2444 17620.7141 0.0000 0.0000 34432.6527 -149324.9949 300.7089 -183757.6476 -149224.6908 298.8367 -99.8159 -64.1640 556124.1770 -14.2830 -14.3360 PRESSURE: 2176200 31.2452 -88.2286 29.7116 -88.2286 63.4262 -49.8689 29.7123 -49.8689 -14.5193 GPRESSURE: 2176200 77.3909 -32.9417 41.9554 -83.5164 68.1981 32.4267 48.6305 -69.9541 27.1346 PRESSAVG: 2176200 -10.9584 -48.5176 -24.1134 -48.5176 7.86524 -54.4148 -24.1133 -54.4148 0.669619 GPRESSAVG: 2176200 -11.4101 -48.2479 -24.2623 -49.571 7.24735 -55.6948 -23.5015 -53.2825 1.10889 TIMING: 2176200 CPU: 6308.49, 0.00289935/step Wall: 6308.49, 0.00289935/step, 2.27422 hours remaining, 208.976562 MB of memory in use. ENERGY: 2176200 773.6948 2068.5007 1956.9289 117.7632 -206096.0528 17595.2545 0.0000 0.0000 34135.3455 -149448.5652 298.1125 -183583.9107 -149352.0096 299.3102 26.7173 57.5745 554237.8457 -0.8078 -1.0180 LDB: ============= START OF LOAD BALANCING ============== 6311.87 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6311.87 LDB: =============== DONE WITH MIGRATION ================ 6311.87 LDB: ============= START OF LOAD BALANCING ============== 6312.17 LDB: Largest compute 4820 load 0.024158 is 20.5% of average load 0.117915 LDB: Average compute 0.001744 is 1.5% of average load 0.117915 LDB: TIME 6312.17 LOAD: AVG 0.117915 MAX 0.18107 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 6312.17 LOAD: AVG 0.117915 MAX 0.18107 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 6312.17 LOAD: AVG 0.117915 MAX 0.18107 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6312.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6312.17 PRESSURE: 2176400 -94.8035 6.23904 -3.48868 6.23874 117.971 -107.65 -3.48832 -107.65 -92.3366 GPRESSURE: 2176400 -80.2393 -37.0298 -44.5364 73.071 181.019 -101.21 57.1909 -225.628 -79.239 PRESSAVG: 2176400 -14.9252 -26.9853 2.09754 -26.9853 29.1751 15.2642 2.09768 15.2643 -41.2241 GPRESSAVG: 2176400 -16.7302 -28.2591 1.49407 -26.5544 29.0877 13.0562 1.90767 16.0617 -39.238 TIMING: 2176400 CPU: 6309.08, 0.00296053/step Wall: 6309.08, 0.00296053/step, 2.32204 hours remaining, 208.460938 MB of memory in use. ENERGY: 2176400 705.3709 2071.0020 1959.0585 115.0433 -206263.5775 17758.9844 0.0000 0.0000 34095.0072 -149559.1112 297.7602 -183654.1184 -149465.2129 298.6459 -23.0565 7.1802 557077.1980 -8.9914 -8.9601 PRESSURE: 2176600 -82.3804 12.7713 144.595 12.7722 -221.052 -85.2214 144.596 -85.2211 -55.6634 GPRESSURE: 2176600 -78.2547 -66.4606 118.41 51.6805 -175.407 -25.397 177.815 -154.067 -13.3727 PRESSAVG: 2176600 -79.0574 -43.2926 2.42895 -43.2925 36.6618 5.24632 2.429 5.2463 11.3157 GPRESSAVG: 2176600 -77.8 -41.5758 2.7184 -44.9085 37.0126 7.0937 4.71204 6.73022 9.86618 TIMING: 2176600 CPU: 6309.66, 0.00291021/step Wall: 6309.66, 0.00291021/step, 2.28241 hours remaining, 208.460938 MB of memory in use. ENERGY: 2176600 743.4229 2079.6257 1949.7322 119.3674 -206371.6478 17655.5543 0.0000 0.0000 34227.3456 -149596.5997 298.9159 -183823.9453 -149498.5880 298.3192 -119.6985 -89.0115 557746.7613 -10.3600 -10.3071 PRESSURE: 2176800 7.67262 158.514 128.803 158.514 135.874 -87.605 128.802 -87.6048 -63.8693 GPRESSURE: 2176800 -13.359 72.9723 185.174 179.673 221.209 -70.3272 106.068 -148.764 -43.1575 PRESSAVG: 2176800 -22.2849 0.77891 -9.37087 0.778924 4.91612 -15.0571 -9.37087 -15.0572 37.3914 GPRESSAVG: 2176800 -21.4293 1.07241 -10.9962 1.5729 3.65738 -14.0149 -9.65674 -18.2722 37.1588 TIMING: 2176800 CPU: 6310.24, 0.00288589/step Wall: 6310.24, 0.00288589/step, 2.26318 hours remaining, 208.460938 MB of memory in use. ENERGY: 2176800 770.4788 2082.4445 1957.4944 114.4897 -206805.4191 18234.6460 0.0000 0.0000 34089.9698 -149555.8959 297.7162 -183645.8658 -149466.1786 298.3513 26.5591 54.8977 556982.5885 6.6742 6.4623 PRESSURE: 2177000 -227.572 -79.7739 96.4194 -79.7737 -249.589 -51.4144 96.4188 -51.4133 -115.643 GPRESSURE: 2177000 -191.972 -117.161 122.429 -54.4734 -197.393 -39.4978 33.9783 -154.814 -110.614 PRESSAVG: 2177000 7.57049 -8.15651 18.6183 -8.15645 -12.666 -16.8744 18.6184 -16.8743 -8.912 GPRESSAVG: 2177000 6.94028 -9.91067 22.2314 -6.20522 -12.8907 -17.5487 16.9975 -15.8823 -7.72121 TIMING: 2177000 CPU: 6310.82, 0.00288988/step Wall: 6310.82, 0.00288988/step, 2.26615 hours remaining, 208.460938 MB of memory in use. ENERGY: 2177000 732.0644 2041.6463 1955.4632 107.8149 -206442.9551 17629.7612 0.0000 0.0000 34309.4174 -149666.7878 299.6327 -183976.2051 -149564.8786 298.1264 -197.6015 -166.6597 556840.0240 -4.6692 -4.5572 PRESSURE: 2177200 -161.746 172.705 125.265 172.706 -230.744 29.2187 125.265 29.2203 202.038 GPRESSURE: 2177200 -89.6519 255.56 165.69 132.081 -178.171 51.1766 41.7309 16.0479 170.315 PRESSAVG: 2177200 -18.19 6.36208 44.5062 6.36211 24.5688 17.0487 44.5061 17.0488 -16.1111 GPRESSAVG: 2177200 -18.335 7.05446 42.5181 5.29455 25.1623 17.2626 43.5043 19.1657 -17.0479 TIMING: 2177200 CPU: 6311.39, 0.0028877/step Wall: 6311.39, 0.0028877/step, 2.26428 hours remaining, 208.460938 MB of memory in use. ENERGY: 2177200 743.5043 2035.6116 1973.2009 123.1902 -206198.8524 17760.5166 0.0000 0.0000 34054.2327 -149508.5960 297.4041 -183562.8287 -149412.8125 298.5281 -63.4841 -32.5027 557556.0122 -3.2441 -3.4069 PRESSURE: 2177400 -393.38 -30.7028 13.1368 -30.7022 50.6124 132.269 13.1365 132.267 -83.3 GPRESSURE: 2177400 -390.59 57.0699 44.8115 -33.0357 64.7292 119.714 -12.5972 174.508 4.2902 PRESSAVG: 2177400 -14.0233 51.3208 3.65168 51.3208 41.1425 47.8751 3.65172 47.875 -12.5008 GPRESSAVG: 2177400 -13.6767 50.6337 4.13402 52.4827 40.4134 48.2207 6.23623 46.821 -11.8228 TIMING: 2177400 CPU: 6311.97, 0.00289816/step Wall: 6311.97, 0.00289816/step, 2.27232 hours remaining, 208.460938 MB of memory in use. ENERGY: 2177400 768.3477 2063.5976 1917.6670 112.2906 -206547.6005 17815.4269 0.0000 0.0000 34239.1205 -149631.1502 299.0188 -183870.2707 -149538.0589 297.8225 -142.0226 -107.1903 557123.5802 4.8728 4.9713 PRESSURE: 2177600 -298.411 1.2961 52.4371 1.2955 -200.164 87.9763 52.4366 87.9742 -134.993 GPRESSURE: 2177600 -285.409 14.071 145.103 -79.1701 -115.494 160.514 -22.9344 31.4694 -143.82 PRESSAVG: 2177600 6.32242 28.642 -4.07028 28.642 8.86385 25.6021 -4.07021 25.6021 2.72567 GPRESSAVG: 2177600 4.89517 28.206 -3.94342 26.7 9.1439 25.4648 -6.04272 24.8141 3.51293 TIMING: 2177600 CPU: 6312.56, 0.00291231/step Wall: 6312.56, 0.00291231/step, 2.28325 hours remaining, 208.460938 MB of memory in use. ENERGY: 2177600 774.3237 2033.2274 1944.9276 113.3446 -206578.6960 17700.6081 0.0000 0.0000 34288.8647 -149723.4000 299.4532 -184012.2647 -149622.3619 298.1996 -211.1892 -181.5741 557419.2748 5.9706 5.8507 PRESSURE: 2177800 -328.84 241.311 -184.712 241.313 -264.489 163.367 -184.713 163.366 54.0666 GPRESSURE: 2177800 -299.755 127.879 -104.767 306.361 -224.301 110.588 -210.082 178.478 92.3512 PRESSAVG: 2177800 -33.1561 -18.8898 -13.1699 -18.8899 25.2324 66.0113 -13.1699 66.0114 26.1672 GPRESSAVG: 2177800 -32.9942 -19.3961 -14.4882 -18.808 27.1425 65.6162 -11.909 67.5288 23.9325 TIMING: 2177800 CPU: 6313.14, 0.00293859/step Wall: 6313.14, 0.00293859/step, 2.30369 hours remaining, 208.460938 MB of memory in use. ENERGY: 2177800 770.3496 2104.0503 1939.4921 107.1556 -206789.6518 17933.9780 0.0000 0.0000 34078.1926 -149856.4336 297.6133 -183934.6262 -149764.6382 298.1742 -179.7541 -143.9015 556052.3524 6.0812 6.0269 PRESSURE: 2178000 -159.767 -27.0513 87.4235 -27.0523 83.9721 -325.595 87.4239 -325.597 0.361966 GPRESSURE: 2178000 -142.063 63.0268 138.533 -0.815482 102.633 -339.428 43.2261 -298.364 58.8706 PRESSAVG: 2178000 14.4649 -30.6744 25.0676 -30.6743 -65.9839 -16.5807 25.0676 -16.5806 17.0203 GPRESSAVG: 2178000 15.3938 -28.8409 25.9115 -31.1254 -67.638 -16.6466 23.8624 -16.8947 17.5776 TIMING: 2178000 CPU: 6313.73, 0.00293821/step Wall: 6313.73, 0.00293821/step, 2.30323 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2178000 738.5445 2042.8038 1932.9003 111.3804 -206421.0643 17702.5663 0.0000 0.0000 34181.5826 -149711.2864 298.5163 -183892.8690 -149605.9579 296.7015 -25.1445 6.4801 555928.7765 -11.4996 -11.5555 PRESSURE: 2178200 -110.986 -62.8606 -2.47048 -62.8613 -267.626 71.4519 -2.4711 71.4509 -27.443 GPRESSURE: 2178200 -116.006 -40.9024 -19.1262 -54.3543 -179.07 35.1014 30.2348 21.4717 7.97265 PRESSAVG: 2178200 12.3139 -1.82989 -40.817 -1.82989 -39.4606 -17.7811 -40.817 -17.7812 28.749 GPRESSAVG: 2178200 11.3497 -3.57078 -43.2336 -2.07465 -38.0689 -18.0097 -40.043 -17.8836 28.1527 TIMING: 2178200 CPU: 6314.31, 0.00290456/step Wall: 6314.31, 0.00290456/step, 2.27669 hours remaining, 208.460938 MB of memory in use. ENERGY: 2178200 751.8417 2076.6394 1927.1167 122.0065 -206517.2944 17669.7366 0.0000 0.0000 34099.7088 -149870.2447 297.8012 -183969.9535 -149776.1075 297.4310 -135.3515 -95.7010 556866.3474 0.5341 0.4778 PRESSURE: 2178400 109.641 -113.367 171.842 -113.368 172.502 -14.353 171.843 -14.3523 68.2975 GPRESSURE: 2178400 134.834 -108.931 169 -106.092 191.801 98.1805 206.237 -66.1237 117.451 PRESSAVG: 2178400 4.00853 5.32416 -51.1117 5.32417 20.3523 -9.26412 -51.1117 -9.26417 -8.11883 GPRESSAVG: 2178400 3.77856 6.21575 -49.2541 3.9008 19.7727 -10.1976 -52.3936 -8.99854 -7.39192 TIMING: 2178400 CPU: 6314.89, 0.00287415/step Wall: 6314.89, 0.00287415/step, 2.2527 hours remaining, 208.460938 MB of memory in use. ENERGY: 2178400 720.6652 2073.6182 1968.2873 103.3224 -206671.5792 17924.9361 0.0000 0.0000 33971.1337 -149909.6164 296.6784 -183880.7500 -149808.3420 297.6187 116.8137 148.0288 556064.9486 5.4140 5.3864 PRESSURE: 2178600 -39.7055 -157.633 32.9433 -157.633 -233.474 126.582 32.9433 126.581 -196.409 GPRESSURE: 2178600 -50.3456 -153.159 -34.2956 -66.6831 -165.587 111.495 74.4807 160.951 -161.681 PRESSAVG: 2178600 -11.8912 -22.7321 24.8464 -22.732 38.3308 -18.5105 24.8464 -18.5104 -43.5724 GPRESSAVG: 2178600 -11.8681 -21.6726 23.3332 -21.3429 38.4504 -15.7896 27.5872 -18.9807 -43.5009 TIMING: 2178600 CPU: 6315.47, 0.00290311/step Wall: 6315.47, 0.00290311/step, 2.27523 hours remaining, 208.460938 MB of memory in use. ENERGY: 2178600 753.0754 2073.6485 1947.7844 115.6066 -206872.8582 17817.9226 0.0000 0.0000 34326.9931 -149837.8274 299.7862 -184164.8206 -149750.7267 297.3402 -156.5294 -125.8712 556934.5337 -5.7110 -5.6395 PRESSURE: 2178800 9.94913 -6.72681 10.8222 -6.72707 -171.781 49.4066 10.8219 49.4036 13.7891 GPRESSURE: 2178800 -16.636 52.601 -43.0321 -63.1478 -119.69 -34.3194 26.7854 55.5614 85.2327 PRESSAVG: 2178800 -23.5996 -42.9252 -15.1797 -42.9252 30.7813 0.0727888 -15.1797 0.0728667 5.13002 GPRESSAVG: 2178800 -24.4531 -44.5948 -14.14 -42.7401 31.0162 -2.42609 -16.431 -0.669462 5.9925 TIMING: 2178800 CPU: 6316.05, 0.00290677/step Wall: 6316.05, 0.00290677/step, 2.27794 hours remaining, 208.460938 MB of memory in use. ENERGY: 2178800 731.8360 2034.1033 1978.8864 121.8030 -206676.0756 17851.5642 0.0000 0.0000 34193.3476 -149764.5350 298.6190 -183957.8826 -149660.4985 297.7616 -49.3475 -17.0309 557213.2977 4.1039 4.1852 PRESSURE: 2179000 112.992 -47.5719 -135.352 -47.5718 19.8818 -3.83756 -135.351 -3.83752 261.621 GPRESSURE: 2179000 93.354 71.3596 -119.649 -135.888 126.889 -8.00245 -69.0453 16.3267 276.374 PRESSAVG: 2179000 18.8369 -30.396 -30.7581 -30.396 -15.1928 -41.0576 -30.7582 -41.0576 4.65476 GPRESSAVG: 2179000 20.3319 -30.4061 -30.1731 -30.9404 -16.4241 -41.4155 -31.1108 -39.0634 3.96425 TIMING: 2179000 CPU: 6316.63, 0.00288962/step Wall: 6316.63, 0.00288962/step, 2.26434 hours remaining, 208.460938 MB of memory in use. ENERGY: 2179000 692.9602 2093.7393 1969.9749 108.7175 -206332.2369 17923.2494 0.0000 0.0000 33906.3230 -149637.2727 296.1124 -183543.5957 -149547.2189 298.2610 131.4986 165.5388 557768.8546 2.7663 2.6240 PRESSURE: 2179200 31.2624 188.062 -61.4007 188.063 -157.89 -161.213 -61.4009 -161.211 41.1635 GPRESSURE: 2179200 105.081 136.938 -53.2387 211.972 -137.268 -120.52 -41.5694 -174.462 39.2002 PRESSAVG: 2179200 15.2854 1.4404 32.616 1.44034 -42.8092 -17.3604 32.616 -17.3604 35.1964 GPRESSAVG: 2179200 14.0983 1.46574 30.5945 3.57798 -41.735 -16.4535 33.2989 -18.343 34.9347 TIMING: 2179200 CPU: 6317.2, 0.00287833/step Wall: 6317.2, 0.00287833/step, 2.25533 hours remaining, 208.460938 MB of memory in use. ENERGY: 2179200 772.0924 2093.1340 1943.0068 117.2253 -206961.4252 18149.2356 0.0000 0.0000 34139.4564 -149747.2747 298.1484 -183886.7311 -149650.3794 297.8181 -28.4881 2.3377 556817.2759 2.5575 2.4327 PRESSURE: 2179400 -42.9954 72.5568 7.65877 72.5569 103.123 19.8532 7.65826 19.8529 -143.187 GPRESSURE: 2179400 -36.4335 57.9652 -16.3709 40.335 145.418 34.6827 69.5186 22.0674 -96.7705 PRESSAVG: 2179400 39.964 76.5701 -36.2513 76.5701 39.4968 0.338298 -36.2514 0.338226 -59.9697 GPRESSAVG: 2179400 39.3652 76.0158 -36.4101 76.4708 38.6987 -0.772549 -36.7589 0.971516 -59.2523 TIMING: 2179400 CPU: 6317.78, 0.00287302/step Wall: 6317.78, 0.00287302/step, 2.25101 hours remaining, 208.460938 MB of memory in use. ENERGY: 2179400 732.6454 2109.1301 1920.5766 121.3685 -206658.9790 18016.5376 0.0000 0.0000 33889.9797 -149868.7411 295.9696 -183758.7207 -149773.9185 297.1548 -27.6862 4.0713 558406.7881 6.4970 6.2705 PRESSURE: 2179600 -254.486 132.849 -179.325 132.849 -246.123 27.082 -179.324 27.0819 -70.0979 GPRESSURE: 2179600 -201.814 141.75 -201.823 87.2049 -238.957 16.7353 -177.59 55.5492 -41.9078 PRESSAVG: 2179600 34.6049 -1.12463 7.12056 -1.12476 -47.3525 -23.5685 7.12041 -23.5686 -15.1359 GPRESSAVG: 2179600 35.7094 1.05105 9.77334 -3.65913 -47.2728 -23.2877 5.54066 -22.5214 -16.5423 TIMING: 2179600 CPU: 6318.36, 0.00290932/step Wall: 6318.36, 0.00290932/step, 2.27929 hours remaining, 208.460938 MB of memory in use. ENERGY: 2179600 730.0771 2032.7085 1958.5948 122.2224 -206820.8987 17866.7859 0.0000 0.0000 34250.6707 -149859.8394 299.1196 -184110.5101 -149761.4732 297.0592 -190.2356 -160.8929 558409.7630 -9.2945 -9.3686 PRESSURE: 2179800 338.427 180.476 53.5649 180.476 -2.78412 -28.5696 53.5663 -28.5699 390.276 GPRESSURE: 2179800 367.433 170.151 51.1884 212.01 63.9348 -38.5911 106.456 -2.46448 391.375 PRESSAVG: 2179800 -23.609 64.2956 -38.9616 64.2957 -33.4305 16.0818 -38.9617 16.0818 66.2389 GPRESSAVG: 2179800 -25.3665 62.7637 -39.5683 67.4124 -32.5017 19.5683 -37.8081 14.6424 66.5523 TIMING: 2179800 CPU: 6318.94, 0.00290941/step Wall: 6318.94, 0.00290941/step, 2.2792 hours remaining, 208.460938 MB of memory in use. ENERGY: 2179800 713.0745 2090.5505 1938.8181 116.3516 -207514.8593 18552.6840 0.0000 0.0000 34225.9142 -149877.4663 298.9034 -184103.3805 -149783.2625 297.5648 241.9728 274.2476 556333.9512 3.0665 2.8947 PRESSURE: 2180000 -68.3074 -81.1981 11.8409 -81.1972 215.272 -73.9242 11.8423 -73.9255 -40.7712 GPRESSURE: 2180000 -32.8992 -170.005 -4.55015 -28.9559 236.319 -50.41 -30.7537 -113.341 -4.67203 PRESSAVG: 2180000 -47.305 10.5461 10.4297 10.5461 -4.51759 8.31465 10.4299 8.31466 27.4066 GPRESSAVG: 2180000 -45.7458 9.87766 9.15186 9.34541 -5.54062 6.49588 10.4306 7.24722 27.5073 TIMING: 2180000 CPU: 6319.52, 0.00290204/step Wall: 6319.52, 0.00290204/step, 2.27327 hours remaining, 208.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2180000 697.4173 2108.7681 1942.6030 113.7756 -206944.3249 18052.9014 0.0000 0.0000 34042.6245 -149986.2349 297.3027 -184028.8594 -149890.0016 296.9263 35.3979 66.2494 557563.1633 -8.1386 -7.9264 PRESSURE: 2180200 -140.741 55.1746 -55.3249 55.1747 -295.932 -15.1131 -55.3253 -15.1133 -160.883 GPRESSURE: 2180200 -103.536 132.429 7.05369 37.4045 -240.044 6.97535 -119.948 -84.9644 -151.735 PRESSAVG: 2180200 24.9286 15.2646 2.35485 15.2646 -21.6545 34.1732 2.35487 34.1732 -6.86397 GPRESSAVG: 2180200 24.3691 16.8436 1.47188 13.7988 -20.7802 33.3499 3.05275 33.3235 -7.55045 TIMING: 2180200 CPU: 6320.1, 0.00291605/step Wall: 6320.1, 0.00291605/step, 2.28408 hours remaining, 208.460938 MB of memory in use. ENERGY: 2180200 759.1419 2033.8651 1936.6059 129.3499 -206325.3742 17730.0471 0.0000 0.0000 33939.0726 -149797.2917 296.3984 -183736.3643 -149701.3909 297.3082 -199.1851 -165.1047 557736.6488 -1.1966 -1.3205 LDB: ============= START OF LOAD BALANCING ============== 6323.49 LDB: ============== END OF LOAD BALANCING =============== 6323.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6323.5 LDB: ============= START OF LOAD BALANCING ============== 6323.79 LDB: Largest compute 4820 load 0.024379 is 20.7% of average load 0.117854 LDB: Average compute 0.001738 is 1.5% of average load 0.117854 LDB: TIME 6323.79 LOAD: AVG 0.117854 MAX 0.18017 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.676 MB LDB: TIME 6323.79 LOAD: AVG 0.117854 MAX 0.18017 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.676 MB LDB: TIME 6323.79 LOAD: AVG 0.117854 MAX 0.18017 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.676 MB LDB: ============== END OF LOAD BALANCING =============== 6323.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6323.8 PRESSURE: 2180400 -81.1566 52.3044 0.362246 52.3052 28.298 -28.4871 0.361387 -28.485 -17.8916 GPRESSURE: 2180400 -17.8985 15.9965 -45.3207 148.908 94.0114 -70.1358 92.5703 -36.2609 -40.9078 PRESSAVG: 2180400 -17.1826 -2.00561 -14.6768 -2.00563 31.5938 11.4581 -14.6768 11.4582 -6.56135 GPRESSAVG: 2180400 -16.393 -3.19365 -12.8172 -0.522771 30.6714 10.894 -14.9205 11.7341 -6.44424 TIMING: 2180400 CPU: 6320.7, 0.00298109/step Wall: 6320.7, 0.00298109/step, 2.33485 hours remaining, 207.890625 MB of memory in use. ENERGY: 2180400 734.7857 2096.7986 1959.5354 112.4488 -206630.5973 17879.4391 0.0000 0.0000 34161.9718 -149685.6179 298.3450 -183847.5897 -149592.8780 297.7556 -23.5834 11.7351 557205.8802 2.6166 2.6114 PRESSURE: 2180600 416.543 43.5033 249.363 43.5027 -96.155 -106.238 249.362 -106.24 -236.251 GPRESSURE: 2180600 407.457 53.7423 186.4 135.088 -73.6312 -94.599 307.46 -82.8641 -148.337 PRESSAVG: 2180600 54.8188 -2.004 69.0373 -2.00406 -62.4102 -3.30942 69.0372 -3.30939 18.6857 GPRESSAVG: 2180600 53.456 -2.04737 69.4618 -3.31858 -61.0265 -2.50392 70.3609 -3.60288 18.0796 TIMING: 2180600 CPU: 6321.28, 0.00291124/step Wall: 6321.28, 0.00291124/step, 2.27999 hours remaining, 208.093750 MB of memory in use. ENERGY: 2180600 730.3629 2086.3120 1960.7630 117.0855 -206603.6196 17958.9170 0.0000 0.0000 34011.4578 -149738.7214 297.0305 -183750.1792 -149640.8444 297.6664 28.0456 61.8298 557236.2120 3.6981 3.5030 PRESSURE: 2180800 404.861 50.4905 54.1742 50.4909 176.235 61.6364 54.1729 61.6355 145.335 GPRESSURE: 2180800 473.456 130.385 66.6928 62.6397 193.818 138.293 123.856 80.5735 156.939 PRESSAVG: 2180800 25.3422 -16.8645 46.3358 -16.8645 -76.1619 74.0012 46.3357 74.0012 38.4058 GPRESSAVG: 2180800 25.5441 -15.7403 46.0968 -18.117 -76.6432 74.4443 46.5295 73.1939 38.5076 TIMING: 2180800 CPU: 6321.86, 0.00290944/step Wall: 6321.86, 0.00290944/step, 2.27842 hours remaining, 208.093750 MB of memory in use. ENERGY: 2180800 780.0527 2059.3516 1938.2720 106.1446 -206682.1136 18019.8496 0.0000 0.0000 34182.8741 -149595.5689 298.5275 -183778.4431 -149501.1187 297.2786 242.1440 274.7376 556186.0975 -4.1380 -4.1972 PRESSURE: 2181000 8.09694 -85.1682 -188.683 -85.1691 -172.003 -20.7729 -188.682 -20.7729 -53.7895 GPRESSURE: 2181000 77.0595 55.0659 -227.819 -126.923 -132.965 -84.9874 -158.021 32.5393 -69.4244 PRESSAVG: 2181000 19.5332 49.678 -26.9371 49.6781 -2.59514 89.4118 -26.9371 89.4117 58.0201 GPRESSAVG: 2181000 19.3596 47.4339 -27.9174 52.0476 -2.15303 87.3474 -28.3563 94.4385 57.7398 TIMING: 2181000 CPU: 6322.44, 0.0028824/step Wall: 6322.44, 0.0028824/step, 2.25708 hours remaining, 208.093750 MB of memory in use. ENERGY: 2181000 791.7725 2076.9429 1938.9966 133.6075 -206514.1948 17855.4158 0.0000 0.0000 34182.3142 -149535.1453 298.5227 -183717.4595 -149439.6086 298.2719 -72.5651 -41.7765 556350.9934 24.9861 24.9821 PRESSURE: 2181200 -202.084 -109.015 204.976 -109.016 -141.904 -140.887 204.974 -140.887 -213.085 GPRESSURE: 2181200 -112.912 -61.943 133.099 -157.426 -173.631 -173.99 92.5122 -110.269 -168.038 PRESSAVG: 2181200 64.6962 14.4912 13.0258 14.4913 -53.3821 45.2051 13.0258 45.2051 23.5904 GPRESSAVG: 2181200 64.9462 16.6943 14.1237 13.0624 -54.6104 45.5116 13.0076 42.8591 24.2073 TIMING: 2181200 CPU: 6323.01, 0.00286848/step Wall: 6323.01, 0.00286848/step, 2.24602 hours remaining, 208.093750 MB of memory in use. ENERGY: 2181200 718.8293 2104.5156 1891.0916 113.8887 -206219.1682 17609.6003 0.0000 0.0000 34249.6346 -149531.6080 299.1106 -183781.2426 -149434.3991 298.0820 -185.6911 -151.5268 558118.7821 11.6348 11.5144 PRESSURE: 2181400 -86.4772 42.8331 -29.2202 42.8331 -132.232 35.9345 -29.2194 35.9345 -210.9 GPRESSURE: 2181400 -30.842 25.9598 -12.2398 16.2441 -108.736 20.3637 13.0762 88.2663 -188.91 PRESSAVG: 2181400 85.0913 -120.015 28.2109 -120.015 -26.6286 13.1633 28.2109 13.1634 -48.4916 GPRESSAVG: 2181400 84.9325 -119.296 27.2174 -120.269 -26.5167 10.6767 30.1001 13.6114 -48.7291 TIMING: 2181400 CPU: 6323.59, 0.00289001/step Wall: 6323.59, 0.00289001/step, 2.26272 hours remaining, 208.351562 MB of memory in use. ENERGY: 2181400 736.3422 2083.1626 1963.8136 122.1965 -206614.2125 17854.3621 0.0000 0.0000 34386.2122 -149468.1233 300.3033 -183854.3356 -149377.6555 298.5977 -143.2033 -109.4960 556825.3933 3.3237 3.2289 PRESSURE: 2181600 34.7951 -67.5248 205.771 -67.5243 -23.0573 48.2609 205.769 48.2628 167.824 GPRESSURE: 2181600 52.8387 -110.797 175.962 -42.1749 52.1703 81.0809 239.501 -41.3914 179.397 PRESSAVG: 2181600 23.54 32.5234 7.99811 32.5233 -19.047 -51.0837 7.99808 -51.0838 23.7111 GPRESSAVG: 2181600 24.253 33.4641 7.90559 32.454 -19.5794 -49.7332 8.41065 -49.469 23.2336 TIMING: 2181600 CPU: 6324.17, 0.00289698/step Wall: 6324.17, 0.00289698/step, 2.26801 hours remaining, 208.351562 MB of memory in use. ENERGY: 2181600 761.7573 2121.6388 1931.3217 112.3042 -206794.2137 18109.6885 0.0000 0.0000 34286.3427 -149471.1606 299.4312 -183757.5033 -149375.7115 298.9409 59.8539 94.8019 557821.7664 9.4014 9.3024 PRESSURE: 2181800 -251.548 -155.569 -188.439 -155.569 -269.955 191.722 -188.439 191.722 -202.841 GPRESSURE: 2181800 -247.163 -177.077 -194.946 -115.95 -174.092 174.429 -168.659 171.457 -213.385 PRESSAVG: 2181800 -27.2961 10.1834 -10.9451 10.1835 -8.70329 17.8829 -10.9451 17.883 6.26317 GPRESSAVG: 2181800 -29.0405 9.19162 -12.0494 12.0163 -6.37716 19.0785 -11.6047 15.0222 6.03427 TIMING: 2181800 CPU: 6324.75, 0.00290598/step Wall: 6324.75, 0.00290598/step, 2.2749 hours remaining, 208.351562 MB of memory in use. ENERGY: 2181800 745.5959 2070.1939 1941.6900 122.7535 -206370.9689 17677.7140 0.0000 0.0000 34239.3178 -149573.7039 299.0205 -183813.0217 -149470.7105 297.9402 -241.4481 -211.5468 560029.4571 -9.9121 -9.7945 PRESSURE: 2182000 140.781 26.7127 124.104 26.7132 -72.7929 -3.69369 124.105 -3.69308 102.137 GPRESSURE: 2182000 171.416 38.6383 98.4273 6.51569 -46.8135 63.1369 173.624 31.0832 158.492 PRESSAVG: 2182000 -20.8149 -8.76442 1.47216 -8.76454 -30.2859 40.0323 1.47215 40.0321 14.4116 GPRESSAVG: 2182000 -18.3217 -8.57026 1.96647 -10.3844 -32.2 39.0096 1.05249 40.7545 14.5361 TIMING: 2182000 CPU: 6325.33, 0.00287447/step Wall: 6325.33, 0.00287447/step, 2.25007 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2182000 766.7566 2040.4002 1928.6559 116.7629 -205798.6224 17806.6255 0.0000 0.0000 33968.8370 -149170.5843 296.6583 -183139.4213 -149077.4294 298.5386 56.7082 94.3647 558080.6306 -12.2297 -11.9952 PRESSURE: 2182200 -231.965 18.6526 84.8273 18.6526 -243.859 -48.8119 84.8268 -48.812 -29.3965 GPRESSURE: 2182200 -126.909 -49.5058 81.4786 -6.93175 -190.184 -94.2001 23.6794 -22.2574 -69.706 PRESSAVG: 2182200 25.4854 -21.2107 35.5057 -21.2107 -88.2617 -22.9815 35.5057 -22.9813 73.2728 GPRESSAVG: 2182200 25.0457 -23.032 35.6661 -19.3001 -87.5564 -21.8303 34.6077 -22.2911 73.4865 TIMING: 2182200 CPU: 6325.91, 0.00288531/step Wall: 6325.91, 0.00288531/step, 2.2584 hours remaining, 208.351562 MB of memory in use. ENERGY: 2182200 777.6875 2049.9194 1961.6837 114.7096 -205697.3276 17592.9996 0.0000 0.0000 34367.1579 -148833.1699 300.1369 -183200.3278 -148740.0834 299.4860 -168.4069 -128.9330 558700.6709 3.4988 3.6586 PRESSURE: 2182400 276.472 36.9734 92.2388 36.9729 193.914 -94.1285 92.2387 -94.1277 211.151 GPRESSURE: 2182400 334.626 61.7676 127.044 34.1177 248.249 -109.546 87.9167 -80.9474 195.157 PRESSAVG: 2182400 49.5318 -7.34107 -5.7377 -7.34111 -6.98428 -0.296057 -5.73771 -0.295864 -25.3606 GPRESSAVG: 2182400 50.1147 -7.17798 -6.35275 -7.87068 -7.69876 -0.680443 -3.5626 -1.70258 -25.3783 TIMING: 2182400 CPU: 6326.48, 0.00288373/step Wall: 6326.48, 0.00288373/step, 2.257 hours remaining, 208.351562 MB of memory in use. ENERGY: 2182400 718.2603 2025.1286 1960.0546 110.8446 -206046.2480 18027.9420 0.0000 0.0000 34160.2537 -149043.7640 298.3300 -183204.0177 -148953.8116 299.2653 227.1789 259.3442 558979.0864 5.7290 5.6792 PRESSURE: 2182600 348.859 -22.3042 -92.3538 -22.3037 206.363 196.055 -92.3542 196.055 -222.002 GPRESSURE: 2182600 409.745 78.621 -65.9489 -67.6343 206.051 188.201 -59.0349 130.878 -188.604 PRESSAVG: 2182600 59.1409 -10.7831 28.7994 -10.7831 -1.69944 -57.5149 28.7993 -57.5149 -49.5956 GPRESSAVG: 2182600 58.5797 -10.6967 29.9334 -9.84108 -1.37832 -55.3276 26.6557 -59.2922 -49.9814 TIMING: 2182600 CPU: 6327.06, 0.0028967/step Wall: 6327.06, 0.0028967/step, 2.26699 hours remaining, 208.351562 MB of memory in use. ENERGY: 2182600 712.9601 2078.7273 1965.3790 119.0358 -206227.8202 17982.7103 0.0000 0.0000 34340.6404 -149028.3673 299.9054 -183369.0078 -148932.0132 299.0217 111.0730 142.3975 557063.4605 2.6153 2.4067 PRESSURE: 2182800 -93.1053 60.6454 51.4882 60.6441 -52.8327 32.9131 51.4875 32.9119 -37.9499 GPRESSURE: 2182800 -134.112 107.396 49.3249 30.0251 -15.2036 109.746 65.2516 -53.035 65.3014 PRESSAVG: 2182800 53.6293 19.9741 6.37925 19.9741 -1.57169 -14.701 6.37928 -14.701 -67.6434 GPRESSAVG: 2182800 53.9795 19.8476 5.94965 17.8464 -2.5646 -16.3588 6.72626 -12.9511 -67.5041 TIMING: 2182800 CPU: 6327.64, 0.00288537/step Wall: 6327.64, 0.00288537/step, 2.25797 hours remaining, 208.351562 MB of memory in use. ENERGY: 2182800 755.7221 2119.4360 1953.0122 116.8785 -206027.2628 17706.0108 0.0000 0.0000 34296.4417 -149079.7616 299.5194 -183376.2033 -148988.3243 299.1434 -61.2960 -28.0047 556787.3198 -5.1953 -5.3631 PRESSURE: 2183000 -158.144 98.2589 8.02966 98.2583 27.755 -71.3733 8.03071 -71.3749 276.344 GPRESSURE: 2183000 -86.6701 172.628 75.9704 101.78 80.536 -0.843557 -68.8946 -178.294 252.392 PRESSAVG: 2183000 34.4859 71.9249 40.5651 71.9249 -14.1206 -49.3447 40.5651 -49.3447 16.8908 GPRESSAVG: 2183000 34.8485 71.9899 40.4518 72.7749 -13.0392 -48.7626 38.5935 -48.5442 15.3126 TIMING: 2183000 CPU: 6328.21, 0.00287786/step Wall: 6328.21, 0.00287786/step, 2.25193 hours remaining, 208.351562 MB of memory in use. ENERGY: 2183000 738.6854 2081.8397 1971.8537 110.3408 -206218.8183 17844.6255 0.0000 0.0000 34409.5708 -149061.9024 300.5073 -183471.4732 -148959.9018 299.6154 48.6514 82.0861 557121.4035 12.4187 12.3739 PRESSURE: 2183200 53.4043 8.42601 154.714 8.42588 2.14065 79.8309 154.714 79.8294 -222.542 GPRESSURE: 2183200 64.177 -67.1123 142.732 87.5384 79.0022 63.8624 133.808 43.1086 -203.095 PRESSAVG: 2183200 -14.2254 49.3134 29.7859 49.3134 37.3673 -56.1611 29.7858 -56.1611 35.0809 GPRESSAVG: 2183200 -13.6366 50.4142 30.4854 49.1307 37.1948 -56.4647 31.6363 -56.2814 35.251 TIMING: 2183200 CPU: 6328.79, 0.00286778/step Wall: 6328.79, 0.00286778/step, 2.24387 hours remaining, 208.351562 MB of memory in use. ENERGY: 2183200 732.5202 2134.7597 1983.9820 103.6108 -205971.4081 17578.3007 0.0000 0.0000 34226.2804 -149211.9543 298.9066 -183438.2347 -149115.9130 299.0639 -55.6656 -19.9719 556501.4113 19.4076 19.6031 PRESSURE: 2183400 -118.448 -32.833 -0.0510847 -32.8317 -64.0766 -46.3275 -0.0510405 -46.3287 -166.486 GPRESSURE: 2183400 -56.5422 -12.3146 -0.425812 -50.01 -32.6019 -82.0829 43.8219 -59.8526 -172.886 PRESSAVG: 2183400 0.500598 -32.4056 24.8796 -32.4056 1.68843 29.0302 24.8795 29.0302 -25.0388 GPRESSAVG: 2183400 -0.537801 -31.6771 25.6532 -32.6283 1.72228 29.6294 24.2716 27.185 -24.3874 TIMING: 2183400 CPU: 6329.36, 0.00287069/step Wall: 6329.36, 0.00287069/step, 2.246 hours remaining, 208.351562 MB of memory in use. ENERGY: 2183400 781.3511 2093.2507 1959.5786 101.6618 -206185.9985 17650.8518 0.0000 0.0000 34381.7845 -149217.5200 300.2647 -183599.3045 -149114.6036 299.5876 -116.3371 -87.3433 557145.8165 -7.6166 -7.7343 PRESSURE: 2183600 28.1906 -50.0881 193.162 -50.0886 105.761 -78.6817 193.163 -78.6819 -142.945 GPRESSURE: 2183600 67.701 -72.8622 132.281 8.86886 126.318 -51.1049 252.513 -43.9773 -99.4244 PRESSAVG: 2183600 -10.1694 10.6044 40.7974 10.6044 34.7117 12.5949 40.7974 12.5948 -24.8651 GPRESSAVG: 2183600 -9.73955 8.55269 38.5765 11.0745 34.7175 11.1765 40.6498 13.9148 -25.0782 TIMING: 2183600 CPU: 6329.94, 0.00289033/step Wall: 6329.94, 0.00289033/step, 2.2612 hours remaining, 208.351562 MB of memory in use. ENERGY: 2183600 763.0526 2121.0245 1932.5396 116.2517 -206312.8668 17771.8811 0.0000 0.0000 34376.8665 -149231.2508 300.2217 -183608.1173 -149133.8492 299.0864 -2.9980 31.5316 556144.7041 -0.1076 -0.0334 PRESSURE: 2183800 191.383 -200.513 70.8775 -200.513 121.292 167.665 70.8751 167.665 9.46828 GPRESSURE: 2183800 175.491 -172.655 110.947 -166.158 168.04 170.696 104.678 145.893 62.0522 PRESSAVG: 2183800 -20.5415 -27.4302 -29.5303 -27.4303 46.6623 15.8384 -29.5303 15.8384 -15.0461 GPRESSAVG: 2183800 -21.3297 -26.7486 -28.0952 -26.3283 47.2931 15.5003 -28.6441 16.1955 -15.2518 TIMING: 2183800 CPU: 6330.52, 0.00291054/step Wall: 6330.52, 0.00291054/step, 2.27685 hours remaining, 208.351562 MB of memory in use. ENERGY: 2183800 721.6132 2080.4210 1939.2709 108.7237 -206252.8444 17741.3648 0.0000 0.0000 34373.8157 -149287.6351 300.1951 -183661.4508 -149202.8283 299.4860 107.3811 135.1943 556191.4984 3.6916 3.5705 PRESSURE: 2184000 -85.6296 48.2432 125.422 48.2435 -180.695 -159.193 125.422 -159.192 -101.749 GPRESSURE: 2184000 -35.3578 19.6262 72.4628 109.051 -132.631 -158.749 176.287 -236.512 -94.5368 PRESSAVG: 2184000 19.1219 -18.7755 6.80063 -18.7755 9.15802 -11.3074 6.80063 -11.3075 34.9958 GPRESSAVG: 2184000 18.9689 -20.5748 5.54538 -19.2474 6.78635 -10.052 5.14023 -13.0801 36.87 TIMING: 2184000 CPU: 6331.1, 0.0028823/step Wall: 6331.1, 0.0028823/step, 2.2546 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2184000 764.9583 2094.9559 1931.0973 105.7068 -206237.4705 17594.5802 0.0000 0.0000 34480.9992 -149265.1729 301.1311 -183746.1721 -149163.6542 299.5554 -122.6911 -87.5086 555516.0096 21.0919 20.8751 PRESSURE: 2184200 -104.05 63.1103 -40.4264 63.1088 -196.133 -132.769 -40.4269 -132.769 -36.5853 GPRESSURE: 2184200 -26.7955 36.6843 -48.8843 65.4854 -158.6 -159.961 -31.6195 -107.941 -47.5618 PRESSAVG: 2184200 1.67916 16.4537 -73.8886 16.4537 -6.21624 -65.7613 -73.8886 -65.7615 -0.270349 GPRESSAVG: 2184200 2.4993 17.2875 -74.1785 16.4969 -4.49748 -66.0468 -74.4181 -64.0924 -2.43991 TIMING: 2184200 CPU: 6331.67, 0.00286223/step Wall: 6331.67, 0.00286223/step, 2.23874 hours remaining, 208.351562 MB of memory in use. ENERGY: 2184200 722.1938 2037.3813 1933.0389 102.5243 -205988.4051 17460.8678 0.0000 0.0000 34431.2176 -149301.1814 300.6964 -183732.3990 -149202.8782 299.7819 -112.2560 -77.6523 557197.5653 -1.6025 -1.4794 LDB: ============= START OF LOAD BALANCING ============== 6335.06 LDB: ============== END OF LOAD BALANCING =============== 6335.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6335.06 LDB: ============= START OF LOAD BALANCING ============== 6335.35 LDB: Largest compute 4820 load 0.024011 is 20.4% of average load 0.117967 LDB: Average compute 0.001747 is 1.5% of average load 0.117967 LDB: TIME 6335.35 LOAD: AVG 0.117967 MAX 0.180001 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 6335.35 LOAD: AVG 0.117967 MAX 0.180001 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.223 MB LDB: TIME 6335.35 LOAD: AVG 0.117967 MAX 0.180001 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6335.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6335.36 PRESSURE: 2184400 2.86312 -54.0311 -62.1476 -54.0315 -114.255 195.013 -62.148 195.014 -245.493 GPRESSURE: 2184400 18.8869 45.7429 -148.298 -7.75994 -49.2755 177.013 -51.6363 175.423 -232.266 PRESSAVG: 2184400 -6.42286 80.9868 -10.5555 80.9869 -27.8252 -29.7984 -10.5555 -29.7983 -6.70025 GPRESSAVG: 2184400 -6.56373 82.8229 -10.3698 78.9697 -27.9115 -29.3247 -10.6482 -30.0583 -6.90532 TIMING: 2184400 CPU: 6332.26, 0.00294303/step Wall: 6332.26, 0.00294303/step, 2.30178 hours remaining, 208.210938 MB of memory in use. ENERGY: 2184400 715.5322 2096.2733 1949.4389 102.6652 -206065.5933 17515.3960 0.0000 0.0000 34243.5027 -149442.7850 299.0570 -183686.2877 -149345.4331 298.9036 -118.9617 -87.5515 556776.3448 -13.6494 -13.7935 PRESSURE: 2184600 193.918 -43.5938 -29.4295 -43.5948 28.1583 -61.531 -29.4295 -61.5323 167.898 GPRESSURE: 2184600 209.245 -37.4186 -85.4479 -66.115 93.2652 -81.2978 64.1931 50.5926 176.901 PRESSAVG: 2184600 16.8874 1.15639 -15.225 1.15642 11.1854 -21.801 -15.225 -21.801 35.9443 GPRESSAVG: 2184600 17.9253 0.74368 -13.9507 1.35398 10.5383 -23.4857 -14.6507 -21.3191 35.5493 TIMING: 2184600 CPU: 6332.84, 0.00289477/step Wall: 6332.84, 0.00289477/step, 2.26387 hours remaining, 208.414062 MB of memory in use. ENERGY: 2184600 691.4524 2085.7111 1924.3667 119.2722 -206234.6834 17864.0442 0.0000 0.0000 34137.7700 -149412.0667 298.1336 -183549.8367 -149318.8757 298.5371 129.9911 159.8037 555867.0984 21.3390 21.3376 PRESSURE: 2184800 -273.573 -36.6151 -49.6752 -36.6143 -236.379 215.716 -49.6768 215.714 -198.948 GPRESSURE: 2184800 -233.728 -75.2022 -34.9837 61.069 -216.14 224.046 -47.7184 226.696 -170.595 PRESSAVG: 2184800 26.2531 -23.4528 -49.9904 -23.4528 -45.4574 -35.6389 -49.9905 -35.6388 -1.68223 GPRESSAVG: 2184800 26.0386 -22.1186 -48.602 -22.435 -46.5414 -33.559 -51.4015 -36.4542 -0.493458 TIMING: 2184800 CPU: 6333.41, 0.00287789/step Wall: 6333.41, 0.00287789/step, 2.25051 hours remaining, 208.414062 MB of memory in use. ENERGY: 2184800 735.9107 2130.1380 1923.7984 103.6447 -205971.1934 17389.5915 0.0000 0.0000 34323.2889 -149364.8211 299.7538 -183688.1100 -149268.7309 298.0962 -236.3003 -206.8210 557393.5067 -6.9622 -6.9988 PRESSURE: 2185000 325.087 -160.093 -81.4785 -160.094 -125.532 -173.348 -81.4793 -173.348 -39.8324 GPRESSURE: 2185000 311.617 -174.367 -75.1593 -131.543 -47.2171 -152.858 -134.981 -140.555 -16.1499 PRESSAVG: 2185000 6.02098 -35.401 -12.943 -35.401 -12.4893 8.18163 -12.9431 8.18177 17.6275 GPRESSAVG: 2185000 6.61965 -37.1431 -14.2414 -38.0881 -11.5899 5.90541 -11.0906 11.5531 16.3037 TIMING: 2185000 CPU: 6333.99, 0.0028891/step Wall: 6333.99, 0.0028891/step, 2.25912 hours remaining, 208.414062 MB of memory in use. ENERGY: 2185000 742.4594 2081.1509 1964.4769 121.8085 -206686.9115 18188.6513 0.0000 0.0000 34232.3104 -149356.0541 298.9593 -183588.3645 -149253.9827 299.1791 53.2407 82.7501 558010.7881 3.7197 3.7778 PRESSURE: 2185200 51.5802 50.6504 10.2163 50.652 -202.987 54.5536 10.2161 54.5537 90.0941 GPRESSURE: 2185200 61.9646 -106.33 81.8282 50.8858 -179.402 -12.7114 -39.0427 1.77805 149.488 PRESSAVG: 2185200 30.3569 -31.8469 -38.3461 -31.8468 35.9636 -46.7138 -38.3461 -46.7137 -36.9431 GPRESSAVG: 2185200 28.2003 -34.4725 -38.9287 -29.049 37.2954 -44.4021 -37.8338 -48.39 -36.4695 TIMING: 2185200 CPU: 6334.57, 0.00289209/step Wall: 6334.57, 0.00289209/step, 2.26129 hours remaining, 208.414062 MB of memory in use. ENERGY: 2185200 741.8518 2100.8659 1966.0684 115.8742 -206476.7635 17852.7214 0.0000 0.0000 34283.0665 -149416.3152 299.4025 -183699.3817 -149318.5673 299.5969 -20.4377 10.6833 558399.9691 9.7925 9.6754 PRESSURE: 2185400 -231.034 185.678 -14.4696 185.678 -316.442 -5.19506 -14.4698 -5.19606 -296.079 GPRESSURE: 2185400 -136.237 165.23 -35.6483 75.2476 -251.416 31.1447 -15.2673 -29.663 -337.018 PRESSAVG: 2185400 -6.351 -39.1059 -0.559331 -39.1059 -9.06348 0.108174 -0.559367 0.108211 38.6711 GPRESSAVG: 2185400 -5.39873 -37.733 1.1948 -39.8257 -8.59919 -0.399619 -1.29613 -0.0639152 38.2414 TIMING: 2185400 CPU: 6335.14, 0.0028724/step Wall: 6335.14, 0.0028724/step, 2.24573 hours remaining, 208.414062 MB of memory in use. ENERGY: 2185400 731.1640 2098.0525 1948.3569 112.9116 -205856.6026 17326.4917 0.0000 0.0000 34286.9911 -149352.6349 299.4368 -183639.6260 -149249.1612 299.3074 -281.1851 -241.5571 559244.5148 7.7522 8.0812 PRESSURE: 2185600 104.152 -46.0351 -11.4907 -46.0353 -170.781 14.1832 -11.4903 14.1829 -44.0075 GPRESSURE: 2185600 102.635 -19.5708 -15.7359 -48.9132 -83.8376 45.5646 -3.53746 43.0958 -19.7952 PRESSAVG: 2185600 10.659 7.37381 -25.3817 7.37382 -23.51 49.0935 -25.3818 49.0936 -14.3474 GPRESSAVG: 2185600 10.6002 8.40512 -28.5572 7.53871 -24.728 48.71 -25.3055 49.5009 -13.6859 TIMING: 2185600 CPU: 6335.72, 0.00287319/step Wall: 6335.72, 0.00287319/step, 2.2462 hours remaining, 208.414062 MB of memory in use. ENERGY: 2185600 721.8507 2149.8705 1964.9705 115.4470 -206729.2529 17979.2244 0.0000 0.0000 34389.2960 -149408.5939 300.3303 -183797.8899 -149314.8025 299.3047 -36.8787 -0.3326 558144.6396 -9.0661 -9.2712 PRESSURE: 2185800 143.877 16.4675 31.495 16.4681 173.004 66.2665 31.4942 66.2662 217.109 GPRESSURE: 2185800 175.076 18.0979 -21.2088 45.4594 196.277 83.1644 10.3893 158.057 240.729 PRESSAVG: 2185800 4.93673 -23.4804 -31.0744 -23.4804 -36.6832 -17.1775 -31.0745 -17.1776 37.0995 GPRESSAVG: 2185800 5.45044 -23.501 -28.9233 -23.1368 -37.0391 -17.6383 -31.7592 -17.262 36.9821 TIMING: 2185800 CPU: 6336.3, 0.00288346/step Wall: 6336.3, 0.00288346/step, 2.25407 hours remaining, 208.414062 MB of memory in use. ENERGY: 2185800 714.1049 2090.1211 1950.1186 103.5083 -206215.1275 17748.1722 0.0000 0.0000 34174.4685 -149434.6340 298.4541 -183609.1025 -149338.2775 298.4495 177.9967 204.0273 556208.6642 1.7843 1.7978 PRESSURE: 2186000 38.1559 -220.667 158.112 -220.667 -283.923 20.1328 158.112 20.1347 47.7227 GPRESSURE: 2186000 39.0684 -142.99 142.595 -259.792 -187.914 30.735 188.451 39.9621 46.4011 PRESSAVG: 2186000 -8.2371 0.22262 -12.7395 0.222582 -5.62809 -28.4728 -12.7396 -28.4728 7.00248 GPRESSAVG: 2186000 -8.35727 -0.202415 -11.3233 0.247461 -5.83049 -27.541 -12.3308 -29.639 6.99346 TIMING: 2186000 CPU: 6336.87, 0.00289045/step Wall: 6336.87, 0.00289045/step, 2.25937 hours remaining, 208.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2186000 757.0508 2092.4478 1940.4455 110.7458 -206197.5379 17633.9581 0.0000 0.0000 34073.5468 -149589.3432 297.5728 -183662.8900 -149484.4298 297.9698 -66.0148 -34.1483 556882.2632 -2.2876 -2.3981 PRESSURE: 2186200 -76.4246 -159.242 129.88 -159.242 -129.63 -31.6017 129.881 -31.6018 4.9811 GPRESSURE: 2186200 2.45667 -125.394 49.18 -222.896 -134.022 24.0113 126.764 -22.418 32.9118 PRESSAVG: 2186200 44.0725 -33.5969 -29.5659 -33.5969 -39.3454 -0.376988 -29.566 -0.376979 8.39811 GPRESSAVG: 2186200 43.0824 -34.3427 -32.1933 -33.1936 -38.5405 1.16838 -26.6335 0.312258 8.79938 TIMING: 2186200 CPU: 6337.45, 0.00288881/step Wall: 6337.45, 0.00288881/step, 2.25793 hours remaining, 208.414062 MB of memory in use. ENERGY: 2186200 769.3260 2105.7190 1955.9243 124.1546 -206407.1984 17727.8976 0.0000 0.0000 34059.7239 -149664.4530 297.4520 -183724.1769 -149566.9641 298.5044 -67.0245 -32.8846 556674.3093 4.3751 4.4471 PRESSURE: 2186400 186.762 -87.6736 139.265 -87.6735 -311.52 13.8912 139.266 13.8907 144.338 GPRESSURE: 2186400 192.2 -62.5225 158.877 12.7928 -264.938 -22.2109 135.124 -5.99724 191.094 PRESSAVG: 2186400 -21.6746 17.088 -23.0372 17.088 -24.7258 -4.26304 -23.0372 -4.26305 79.5336 GPRESSAVG: 2186400 -22.8541 18.1288 -22.8909 15.6951 -24.6101 -5.44635 -24.935 -2.76512 80.5056 TIMING: 2186400 CPU: 6338.03, 0.00288238/step Wall: 6338.03, 0.00288238/step, 2.25274 hours remaining, 208.414062 MB of memory in use. ENERGY: 2186400 728.6267 2131.9598 1964.8888 122.7681 -206279.5151 17841.1725 0.0000 0.0000 34114.9385 -149375.1607 297.9342 -183490.0992 -149275.1036 298.5982 6.5265 39.4520 556439.5724 11.0444 11.0138 PRESSURE: 2186600 95.7085 108.594 14.6064 108.593 -88.6797 106.257 14.6059 106.256 346.625 GPRESSURE: 2186600 127.616 94.0125 -3.52588 90.7759 -43.4579 186.761 5.20003 81.7906 368.413 PRESSAVG: 2186600 -11.7196 41.2811 -53.5762 41.2811 -21.4073 -24.1332 -53.5762 -24.1332 56.8661 GPRESSAVG: 2186600 -9.27199 40.2482 -53.1105 43.3175 -20.7523 -25.9679 -54.6569 -23.1861 53.7464 TIMING: 2186600 CPU: 6338.6, 0.00287808/step Wall: 6338.6, 0.00287808/step, 2.24922 hours remaining, 208.414062 MB of memory in use. ENERGY: 2186600 741.4247 2081.4123 1976.9965 98.3846 -206639.0590 18252.0415 0.0000 0.0000 34062.2097 -149426.5896 297.4737 -183488.7994 -149322.7605 298.3315 117.8846 150.8570 558460.2173 7.9130 7.9074 PRESSURE: 2186800 8.87065 5.77936 15.9184 5.77958 200.338 -98.4854 15.9184 -98.4848 -47.3862 GPRESSURE: 2186800 50.5169 16.8924 -19.0494 -20.8187 260.262 -24.1456 -19.0009 -100.881 -44.9747 PRESSAVG: 2186800 -99.0183 54.7998 24.5818 54.7997 58.3117 -14.2288 24.5818 -14.2289 46.1298 GPRESSAVG: 2186800 -99.5885 54.6341 25.3125 54.9705 57.9877 -12.7362 24.3542 -17.0595 46.5496 TIMING: 2186800 CPU: 6339.18, 0.00290522/step Wall: 6339.18, 0.00290522/step, 2.27027 hours remaining, 208.414062 MB of memory in use. ENERGY: 2186800 733.1116 2081.8843 1938.2524 105.2453 -206284.1837 17968.3014 0.0000 0.0000 34157.4081 -149299.9807 298.3051 -183457.3887 -149197.1273 297.9777 53.9407 88.6014 557544.6471 1.8077 1.6496 PRESSURE: 2187000 233.917 51.5731 37.9459 51.5727 159.707 151.728 37.9452 151.729 250.038 GPRESSURE: 2187000 219.065 -8.70905 8.69496 105.17 248.119 143.764 31.5569 174.388 271.595 PRESSAVG: 2187000 3.43421 -20.533 -5.09862 -20.5329 -1.22361 13.9951 -5.09858 13.9951 -9.76382 GPRESSAVG: 2187000 2.51141 -18.9106 -3.88055 -22.185 -1.52347 12.4749 -5.0111 16.0647 -8.51179 TIMING: 2187000 CPU: 6339.76, 0.00288431/step Wall: 6339.76, 0.00288431/step, 2.25377 hours remaining, 208.414062 MB of memory in use. ENERGY: 2187000 735.3022 2095.8100 1954.6142 106.3989 -206602.6393 18194.0717 0.0000 0.0000 34164.5510 -149351.8913 298.3675 -183516.4423 -149254.5591 298.6419 214.5543 246.2597 556238.1762 -2.5177 -2.5079 PRESSURE: 2187200 -70.9312 31.1169 -28.6824 31.1167 -96.0515 -6.94814 -28.6834 -6.94778 -254.197 GPRESSURE: 2187200 -108.203 -4.73635 8.81178 -89.0334 -3.94499 38.4067 -32.8695 39.8867 -207.326 PRESSAVG: 2187200 42.4579 -22.7465 3.16461 -22.7465 42.1561 33.5953 3.16463 33.5952 -43.2993 GPRESSAVG: 2187200 41.308 -22.4299 2.14867 -21.3469 43.1472 35.2938 3.55389 31.1377 -42.9434 TIMING: 2187200 CPU: 6340.34, 0.00288073/step Wall: 6340.34, 0.00288073/step, 2.25081 hours remaining, 208.414062 MB of memory in use. ENERGY: 2187200 726.5679 2124.2630 1942.0629 111.2436 -205769.2769 17551.6582 0.0000 0.0000 33825.6064 -149487.8749 295.4074 -183313.4813 -149392.4718 298.1380 -140.3933 -106.4915 557583.8385 13.7716 13.8373 PRESSURE: 2187400 46.6646 -116.109 -158.517 -116.108 -143.386 97.1373 -158.517 97.1394 -9.28619 GPRESSURE: 2187400 23.4534 -124.678 -217.713 -56.1201 -95.7178 141.585 -173.319 11.4805 67.22 PRESSAVG: 2187400 82.9095 -12.1576 -24.0267 -12.1577 -34.7182 34.7375 -24.0267 34.7374 -33.2008 GPRESSAVG: 2187400 84.3177 -13.5496 -21.363 -11.0851 -35.7825 35.7893 -23.8008 34.4578 -32.7486 TIMING: 2187400 CPU: 6340.91, 0.00288401/step Wall: 6340.91, 0.00288401/step, 2.25322 hours remaining, 208.414062 MB of memory in use. ENERGY: 2187400 727.8634 2174.4894 1915.9652 118.4726 -206375.8331 17894.2244 0.0000 0.0000 34094.9358 -149449.8823 297.7596 -183544.8181 -149350.9414 298.1878 -35.3360 -1.6815 558168.6425 4.9968 5.2622 PRESSURE: 2187600 92.9055 -38.7149 -119.431 -38.7151 352.724 -39.2774 -119.43 -39.277 52.4761 GPRESSURE: 2187600 137.939 13.5891 -35.5238 -130.197 306.003 -174.465 -233.694 84.0453 144.21 PRESSAVG: 2187600 3.98428 -6.41104 -9.40419 -6.41101 44.7715 30.2098 -9.40421 30.2098 -14.7877 GPRESSAVG: 2187600 4.3959 -5.87616 -9.40611 -7.80692 44.4796 28.1624 -9.47402 32.9966 -15.0886 TIMING: 2187600 CPU: 6341.49, 0.00289345/step Wall: 6341.49, 0.00289345/step, 2.26043 hours remaining, 208.414062 MB of memory in use. ENERGY: 2187600 731.1486 2063.2772 1954.2849 100.5381 -206518.3735 18063.2800 0.0000 0.0000 34429.6210 -149176.2237 300.6824 -183605.8447 -149075.6375 298.4739 166.0352 196.0506 556822.8441 11.3227 11.2623 PRESSURE: 2187800 -225.232 37.993 -214.456 37.9929 -3.81107 -141.984 -214.457 -141.984 -37.7166 GPRESSURE: 2187800 -190.957 21.5523 -149.71 54.4163 48.2583 -89.9985 -156.329 -79.9114 -36.0928 PRESSAVG: 2187800 -33.2869 -33.7565 -42.6054 -33.7565 -0.0936289 -34.5427 -42.6054 -34.5427 52.2464 GPRESSAVG: 2187800 -33.2669 -34.645 -41.4161 -33.5014 0.386825 -32.815 -43.7414 -35.6638 51.9439 TIMING: 2187800 CPU: 6342.07, 0.00287542/step Wall: 6342.07, 0.00287542/step, 2.24618 hours remaining, 208.414062 MB of memory in use. ENERGY: 2187800 737.2343 2038.9029 1968.7190 115.0335 -205950.4548 17648.0822 0.0000 0.0000 34113.8429 -149328.6400 297.9247 -183442.4829 -149234.3433 299.5391 -88.9200 -59.5971 558331.6631 6.2886 6.3546 PRESSURE: 2188000 9.19998 -15.071 -131.784 -15.0716 -219.121 -22.6986 -131.785 -22.6991 -51.0276 GPRESSURE: 2188000 12.5875 37.3971 -131.689 -66.5605 -131.688 1.68741 -110.927 -28.6401 -45.6647 PRESSAVG: 2188000 -25.2757 12.1662 2.52972 12.1662 11.9367 28.5273 2.52975 28.5274 -1.33122 GPRESSAVG: 2188000 -24.3302 13.3583 1.41749 10.512 11.9114 26.4327 3.04348 27.5958 -1.85112 TIMING: 2188000 CPU: 6342.65, 0.0028856/step Wall: 6342.65, 0.0028856/step, 2.25397 hours remaining, 208.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2188000 738.1145 2076.0885 1918.7181 122.0676 -206182.9871 17665.6471 0.0000 0.0000 34501.5044 -149160.8470 301.3102 -183662.3514 -149067.0641 298.8202 -86.9827 -54.9218 556838.4893 -4.8901 -4.7566 PRESSURE: 2188200 54.6201 -15.2853 -33.9899 -15.2846 -149.488 54.3064 -33.9899 54.3047 -170.406 GPRESSURE: 2188200 92.6138 -117.154 -22.1309 21.188 -61.3412 9.43696 -36.8276 57.1589 -182.983 PRESSAVG: 2188200 32.3363 -15.2289 -10.9932 -15.2289 20.0957 5.86533 -10.9932 5.86528 -80.1977 GPRESSAVG: 2188200 31.3691 -14.5526 -12.9524 -14.6897 21.4465 6.55941 -8.28451 7.18332 -80.2952 TIMING: 2188200 CPU: 6343.22, 0.00287804/step Wall: 6343.22, 0.00287804/step, 2.24791 hours remaining, 208.414062 MB of memory in use. ENERGY: 2188200 686.6547 2049.0856 1972.6736 106.7185 -205868.8829 17497.1866 0.0000 0.0000 34320.7828 -149235.7812 299.7319 -183556.5640 -149139.9489 298.9395 -88.4244 -50.5702 557220.1856 -9.2553 -9.1599 LDB: ============= START OF LOAD BALANCING ============== 6346.61 LDB: ============== END OF LOAD BALANCING =============== 6346.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6346.61 LDB: ============= START OF LOAD BALANCING ============== 6346.89 LDB: Largest compute 4820 load 0.025545 is 21.7% of average load 0.117910 LDB: Average compute 0.001739 is 1.5% of average load 0.117910 LDB: TIME 6346.9 LOAD: AVG 0.11791 MAX 0.180395 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 6346.9 LOAD: AVG 0.11791 MAX 0.180395 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: TIME 6346.9 LOAD: AVG 0.11791 MAX 0.180395 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6346.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6346.9 PRESSURE: 2188400 190.328 21.0736 20.1401 21.0738 -241.756 192.798 20.1414 192.798 -26.6818 GPRESSURE: 2188400 265.009 105.854 -18.0101 -46.6316 -273.301 175.689 30.102 200.028 26.4091 PRESSAVG: 2188400 114.483 -29.6634 -57.4097 -29.6635 -21.4721 0.338486 -57.4096 0.338435 -61.9469 GPRESSAVG: 2188400 115.656 -32.4694 -57.2353 -28.4946 -24.23 -0.367677 -58.8919 -1.0008 -60.3786 TIMING: 2188400 CPU: 6343.81, 0.00293425/step Wall: 6343.81, 0.00293425/step, 2.29165 hours remaining, 209.242188 MB of memory in use. ENERGY: 2188400 766.2823 2038.1014 1944.2418 111.4518 -205994.1348 17638.7571 0.0000 0.0000 34321.1809 -149174.1195 299.7354 -183495.3004 -149078.8429 299.3250 -26.0365 6.0390 557293.4169 10.3547 10.3491 PRESSURE: 2188600 29.9648 32.2736 -2.0152 32.2729 -19.8853 20.1072 -2.01536 20.1075 -62.1843 GPRESSURE: 2188600 25.5479 41.9389 -82.4192 81.4509 8.80434 -31.3773 53.3481 -6.52897 14.8942 PRESSAVG: 2188600 16.3519 1.16948 -30.3112 1.1695 9.50838 31.8242 -30.3112 31.8241 17.9679 GPRESSAVG: 2188600 15.3717 3.34226 -29.1875 0.487461 10.7924 31.154 -30.4712 33.8856 17.8333 TIMING: 2188600 CPU: 6344.38, 0.00287526/step Wall: 6344.38, 0.00287526/step, 2.24542 hours remaining, 209.242188 MB of memory in use. ENERGY: 2188600 752.9689 2011.1705 1952.5906 108.8072 -206021.3199 17724.7242 0.0000 0.0000 34465.9546 -149005.1039 300.9998 -183471.0585 -148907.9970 300.3543 -17.3683 16.4155 557074.6116 14.6094 14.6658 PRESSURE: 2188800 160.437 6.22467 -37.2193 6.22387 58.4255 -8.1227 -37.2195 -8.12181 393.809 GPRESSURE: 2188800 207.426 -43.9274 20.2656 40.755 137.746 92.5676 -53.1291 -7.5957 371.874 PRESSAVG: 2188800 -49.2807 68.255 8.72801 68.2551 -84.8611 14.1578 8.72801 14.1577 117.609 GPRESSAVG: 2188800 -49.6756 67.1619 7.23281 69.9256 -84.3593 14.543 10.3373 13.1025 117.735 TIMING: 2188800 CPU: 6344.96, 0.00288325/step Wall: 6344.96, 0.00288325/step, 2.2515 hours remaining, 209.242188 MB of memory in use. ENERGY: 2188800 731.9687 2090.5921 1943.7063 118.8031 -206292.0666 17972.9232 0.0000 0.0000 34323.8709 -149110.2023 299.7589 -183434.0733 -149011.7658 300.4709 204.2239 239.0153 557156.0358 -5.5109 -5.4333 PRESSURE: 2189000 191.138 -142.945 52.6493 -142.945 51.471 -19.4859 52.6502 -19.4858 29.9699 GPRESSURE: 2189000 146.633 -157.715 45.2999 -111.127 99.8745 131.022 61.5327 -151.956 124.714 PRESSAVG: 2189000 19.5841 -9.96275 22.0292 -9.96271 -30.0409 41.26 22.0292 41.2599 54.6565 GPRESSAVG: 2189000 19.0647 -9.22487 22.0334 -9.82988 -30.1886 41.3128 21.1176 40.4142 55.0179 TIMING: 2189000 CPU: 6345.53, 0.0028713/step Wall: 6345.53, 0.0028713/step, 2.24201 hours remaining, 209.242188 MB of memory in use. ENERGY: 2189000 718.3904 2046.7850 1943.9835 107.9382 -206191.1963 17895.6100 0.0000 0.0000 34211.6551 -149266.8341 298.7789 -183478.4892 -149163.7370 299.4352 90.8596 123.7405 557724.6408 14.7332 14.6313 PRESSURE: 2189200 -108.203 -113.953 -121.313 -113.954 -207.316 -0.723253 -121.313 -0.72344 0.961601 GPRESSURE: 2189200 -43.8252 -117.187 -127.715 -70.3509 -197.415 -106.785 -112.387 41.8396 24.3366 PRESSAVG: 2189200 -11.6836 -42.2427 -62.0722 -42.2427 30.3558 5.73103 -62.0723 5.73105 -12.219 GPRESSAVG: 2189200 -10.6121 -40.6122 -61.2277 -43.2932 31.1914 6.3472 -62.1708 7.57198 -13.7367 TIMING: 2189200 CPU: 6346.11, 0.00286983/step Wall: 6346.11, 0.00286983/step, 2.2407 hours remaining, 209.242188 MB of memory in use. ENERGY: 2189200 763.9667 2110.2165 1958.4701 110.8388 -206134.2307 17723.1654 0.0000 0.0000 34189.0387 -149278.5346 298.5814 -183467.5733 -149182.8412 299.4339 -104.8525 -72.3012 556796.9811 2.1511 2.2809 PRESSURE: 2189400 -65.2886 -3.84494 -85.1721 -3.84458 123.626 -26.4179 -85.1737 -26.4171 424.855 GPRESSURE: 2189400 -49.073 -20.2761 -41.934 -30.0929 178.017 -47.0532 -160.408 -10.4091 466.708 PRESSAVG: 2189400 -37.7099 -27.3333 -60.3834 -27.3333 -60.0079 52.3151 -60.3834 52.3151 57.5827 GPRESSAVG: 2189400 -37.6943 -29.0299 -61.3329 -28.6217 -61.4785 52.1916 -59.1387 50.6446 59.0722 TIMING: 2189400 CPU: 6346.68, 0.00287797/step Wall: 6346.68, 0.00287797/step, 2.24689 hours remaining, 209.242188 MB of memory in use. ENERGY: 2189400 764.2115 2063.5537 1939.8223 125.0352 -206387.0228 17990.9601 0.0000 0.0000 34267.1052 -149236.3350 299.2632 -183503.4401 -149142.3367 299.0691 161.0639 198.5509 556914.7980 -13.3784 -13.3669 PRESSURE: 2189600 233.53 -171.532 -36.0254 -171.531 -87.8854 -86.0141 -36.0254 -86.0131 -3.31001 GPRESSURE: 2189600 221.523 -159.5 -40.0294 -199.52 -59.0051 -105.201 15.3482 -62.1988 72.7078 PRESSAVG: 2189600 -11.9243 17.4918 60.4629 17.4918 -8.13791 23.2059 60.4631 23.2059 -5.69608 GPRESSAVG: 2189600 -11.0789 19.1388 62.1619 16.3434 -8.10946 24.3615 57.9725 22.1247 -5.65717 TIMING: 2189600 CPU: 6347.26, 0.00286626/step Wall: 6347.26, 0.00286626/step, 2.23759 hours remaining, 209.242188 MB of memory in use. ENERGY: 2189600 724.7251 2132.0628 1973.9799 112.2145 -206117.1599 17766.7154 0.0000 0.0000 34074.4986 -149332.9636 297.5811 -183407.4622 -149236.6697 298.8557 47.4448 78.4085 557075.2354 -8.5861 -8.2819 PRESSURE: 2189800 -236.033 170.962 -41.8222 170.961 -5.4892 -75.7525 -41.8216 -75.7537 -330.782 GPRESSURE: 2189800 -253.59 99.655 -65.7351 166.581 80.9923 -130.802 -38.7735 -32.6106 -302.939 PRESSAVG: 2189800 9.12668 -39.1734 12.5011 -39.1734 -46.0152 19.895 12.5011 19.895 50.2573 GPRESSAVG: 2189800 9.1773 -42.2648 11.8496 -36.242 -44.9359 18.3791 12.2244 21.3941 49.1375 TIMING: 2189800 CPU: 6347.83, 0.00286156/step Wall: 6347.83, 0.00286156/step, 2.23377 hours remaining, 209.242188 MB of memory in use. ENERGY: 2189800 788.2063 2123.3956 1952.9394 113.9351 -205935.5009 17504.6870 0.0000 0.0000 34235.5806 -149216.7570 298.9878 -183452.3376 -149122.7170 298.7918 -190.7680 -158.5121 557749.8606 4.4563 4.4597 PRESSURE: 2190000 173.726 -26.1334 38.3288 -26.1334 7.78835 21.409 38.3284 21.4083 -93.686 GPRESSURE: 2190000 193.805 -60.1788 108.465 30.2634 35.6444 15.4303 75.9215 42.2326 -44.5378 PRESSAVG: 2190000 -77.1177 -7.6587 67.477 -7.65863 39.6174 -57.2383 67.477 -57.2382 48.9584 GPRESSAVG: 2190000 -77.8364 -5.90875 68.0027 -9.20595 38.8195 -56.6191 69.2799 -57.0822 50.5852 TIMING: 2190000 CPU: 6348.41, 0.0028882/step Wall: 6348.41, 0.0028882/step, 2.2544 hours remaining, 209.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2190000 751.9060 2108.8138 1955.8096 108.6369 -206736.5509 18108.1003 0.0000 0.0000 34341.4697 -149361.8146 299.9126 -183703.2843 -149262.4045 299.6303 29.2762 61.6373 557135.8226 3.8193 3.8561 PRESSURE: 2190200 -319.87 32.5879 94.9865 32.5868 -62.6566 85.954 94.9859 85.955 -344.289 GPRESSURE: 2190200 -285.793 47.937 18.3713 -8.80788 -30.6211 -14.7494 188.8 177.163 -310.475 PRESSAVG: 2190200 19.6775 -27.511 -22.6171 -27.5111 -46.6472 -5.65805 -22.617 -5.65813 21.5004 GPRESSAVG: 2190200 19.9097 -28.2423 -23.0307 -27.9611 -46.0004 -6.10626 -24.1824 -4.54154 20.6839 TIMING: 2190200 CPU: 6348.98, 0.00288171/step Wall: 6348.98, 0.00288172/step, 2.24918 hours remaining, 209.242188 MB of memory in use. ENERGY: 2190200 740.8939 2095.8247 1923.0441 113.0348 -205604.1463 17215.8382 0.0000 0.0000 34189.6201 -149325.8905 298.5865 -183515.5106 -149228.6008 299.1608 -242.2721 -208.9632 558448.1854 -1.8231 -1.8023 PRESSURE: 2190400 -205.553 -87.8167 -102.822 -87.8165 -121.718 151.11 -102.822 151.11 -5.14424 GPRESSURE: 2190400 -135.476 -146.053 -127.326 -61.8332 -37.4746 208.229 -112.396 117.621 -61.9884 PRESSAVG: 2190400 9.50562 -1.83369 4.62204 -1.83376 -18.5634 -55.044 4.62197 -55.0439 44.9931 GPRESSAVG: 2190400 9.3739 -0.160267 4.3972 -1.15833 -18.3232 -53.9632 6.25668 -56.7413 44.7524 TIMING: 2190400 CPU: 6349.56, 0.00288228/step Wall: 6349.56, 0.00288228/step, 2.24946 hours remaining, 209.242188 MB of memory in use. ENERGY: 2190400 750.3422 2122.7942 1939.6963 117.2628 -206381.9347 17838.0501 0.0000 0.0000 34229.6363 -149384.1529 298.9359 -183613.7892 -149283.4045 298.6228 -110.8048 -78.3129 558179.5552 11.9784 11.9344 PRESSURE: 2190600 37.2939 108.35 -3.69955 108.35 -92.4123 131.346 -3.69863 131.342 63.2094 GPRESSURE: 2190600 66.9069 103.96 -77.0681 98.7655 -84.7675 103.562 15.011 176.936 132.845 PRESSAVG: 2190600 58.0042 17.5399 -27.816 17.54 -35.4264 35.1598 -27.8159 35.1598 -35.8289 GPRESSAVG: 2190600 58.2302 15.5977 -26.5942 17.816 -35.7636 34.3165 -29.3756 36.4412 -36.1165 TIMING: 2190600 CPU: 6350.14, 0.00288574/step Wall: 6350.14, 0.00288574/step, 2.252 hours remaining, 209.242188 MB of memory in use. ENERGY: 2190600 733.8147 2046.1786 1949.4803 105.2956 -206394.5404 17924.0578 0.0000 0.0000 34406.7692 -149228.9442 300.4829 -183635.7134 -149128.7990 299.2268 2.6970 38.3281 558334.8523 -4.4171 -4.5500 PRESSURE: 2190800 -66.7 -79.2774 128.969 -79.2762 266.997 64.7547 128.969 64.7529 -131.307 GPRESSURE: 2190800 16.5174 -142.436 58.5772 -24.6224 202.349 -15.8601 160.663 47.2934 -62.5002 PRESSAVG: 2190800 81.0712 2.04303 21.2812 2.04298 -45.744 -16.6752 21.2812 -16.6753 0.0360124 GPRESSAVG: 2190800 79.7976 3.26954 19.9659 1.5528 -45.8762 -15.4399 22.0363 -18.7309 1.18875 TIMING: 2190800 CPU: 6350.71, 0.0028805/step Wall: 6350.71, 0.0028805/step, 2.24775 hours remaining, 209.242188 MB of memory in use. ENERGY: 2190800 753.7689 2099.7367 1945.4768 98.4758 -206466.1311 17928.3922 0.0000 0.0000 34421.7941 -149218.4866 300.6141 -183640.2807 -149116.5557 299.4987 22.9968 52.1221 557793.0664 11.7877 11.7034 PRESSURE: 2191000 212.766 -83.8628 37.3847 -83.862 -38.6089 -103.459 37.3848 -103.46 220.829 GPRESSURE: 2191000 267.076 -142.407 72.9212 -27.5214 36.0814 -26.3981 34.645 -36.9446 193.789 PRESSAVG: 2191000 31.3259 69.0222 8.8676 69.0222 -33.8339 13.7853 8.86756 13.7852 4.41568 GPRESSAVG: 2191000 32.2744 67.6674 9.60003 70.3499 -33.1673 12.8981 8.03677 15.3663 2.76374 TIMING: 2191000 CPU: 6351.29, 0.00289036/step Wall: 6351.29, 0.00289036/step, 2.25528 hours remaining, 209.242188 MB of memory in use. ENERGY: 2191000 696.3338 2079.5810 1931.3563 116.7859 -206282.0244 17903.6633 0.0000 0.0000 34251.9538 -149302.3503 299.1308 -183554.3041 -149201.5679 299.8184 131.6622 165.6490 558035.5507 0.6359 0.6236 PRESSURE: 2191200 162.223 65.3919 -7.27967 65.3922 20.808 -99.1627 -7.27952 -99.1639 -150.377 GPRESSURE: 2191200 159.702 73.3297 -49.1368 84.7 53.0836 -117.736 -49.1871 -123.137 -84.0318 PRESSAVG: 2191200 127.516 -26.7151 -15.9705 -26.7151 -54.1418 -77.2289 -15.9705 -77.2289 -40.9868 GPRESSAVG: 2191200 127.736 -27.1169 -15.1159 -24.8866 -54.6164 -75.4365 -16.0713 -78.9933 -40.5627 TIMING: 2191200 CPU: 6351.87, 0.00290491/step Wall: 6351.87, 0.00290491/step, 2.26648 hours remaining, 209.242188 MB of memory in use. ENERGY: 2191200 714.5990 2110.8434 1957.7188 102.6583 -206204.3756 17647.8943 0.0000 0.0000 34239.3049 -149431.3570 299.0204 -183670.6619 -149335.1398 298.6061 10.8847 42.9178 556763.7596 10.7957 10.8522 PRESSURE: 2191400 206.552 -148.845 34.1676 -148.844 14.5648 8.89589 34.1672 8.89638 -164.509 GPRESSURE: 2191400 253.765 -127.076 161.813 -229.3 -2.04633 -66.5676 7.58791 -45.0256 -92.5585 PRESSAVG: 2191400 -8.245 16.0667 -7.63022 16.0667 43.4504 -7.9385 -7.6302 -7.93856 -48.541 GPRESSAVG: 2191400 -8.45085 17.4743 -8.61281 14.1753 43.6536 -9.82305 -5.21296 -5.91641 -48.8768 TIMING: 2191400 CPU: 6352.45, 0.00289188/step Wall: 6352.45, 0.00289188/step, 2.25615 hours remaining, 209.242188 MB of memory in use. ENERGY: 2191400 739.2490 2166.0772 1932.0166 97.8441 -206442.2239 18090.6118 0.0000 0.0000 34029.1067 -149387.3184 297.1847 -183416.4250 -149283.4258 298.6068 18.8691 53.0532 558580.8218 -4.4452 -4.5580 PRESSURE: 2191600 169.174 28.547 -28.5919 28.5458 345.564 -62.3729 -28.5908 -62.3721 287.482 GPRESSURE: 2191600 169.676 33.4586 30.5291 54.0764 325.616 -86.3382 -86.0283 -95.6354 384.821 PRESSAVG: 2191600 44.7054 30.4916 -17.1408 30.4916 -0.687822 14.2101 -17.1408 14.2102 -0.589644 GPRESSAVG: 2191600 45.1968 29.445 -16.2853 29.8244 -2.63103 14.6432 -20.0676 14.4877 0.816982 TIMING: 2191600 CPU: 6353.03, 0.00288729/step Wall: 6353.03, 0.00288729/step, 2.25241 hours remaining, 209.242188 MB of memory in use. ENERGY: 2191600 720.4728 2112.8663 1943.1872 100.8680 -206914.6257 18289.7576 0.0000 0.0000 34320.0460 -149427.4277 299.7255 -183747.4737 -149332.4766 298.9819 267.4067 293.3710 557162.8373 14.4760 14.4609 PRESSURE: 2191800 -243.721 195.214 45.2876 195.215 -250.71 18.6848 45.2882 18.6836 -78.7523 GPRESSURE: 2191800 -242.367 235.957 42.7424 151.358 -207.875 15.8561 16.0308 36.522 -17.5924 PRESSAVG: 2191800 -35.6681 34.7805 -16.2274 34.7805 18.0729 -13.8715 -16.2275 -13.8714 34.5797 GPRESSAVG: 2191800 -37.4506 34.1719 -18.4419 34.9287 21.0863 -14.8184 -12.7284 -14.3053 32.8503 TIMING: 2191800 CPU: 6353.6, 0.00287144/step Wall: 6353.6, 0.00287144/step, 2.23989 hours remaining, 209.242188 MB of memory in use. ENERGY: 2191800 758.0188 2047.8975 1981.5009 111.2272 -205806.7424 17436.1592 0.0000 0.0000 34313.5285 -149158.4102 299.6686 -183471.9387 -149065.4176 299.4944 -191.0611 -155.9448 557127.6970 5.6615 5.4953 PRESSURE: 2192000 -207.702 -96.0578 52.7956 -96.0582 75.8162 36.0383 52.7963 36.0378 -53.9046 GPRESSURE: 2192000 -173.576 -157.408 114.366 30.2123 120.763 -5.85212 43.1368 107.424 -28.0523 PRESSAVG: 2192000 12.3791 5.41158 -31.445 5.41153 -12.815 21.5646 -31.4449 21.5646 46.5102 GPRESSAVG: 2192000 13.8216 8.36633 -29.8167 3.95964 -13.6613 20.5636 -33.1277 22.3092 46.2131 TIMING: 2192000 CPU: 6354.18, 0.00287434/step Wall: 6354.18, 0.00287434/step, 2.24199 hours remaining, 209.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2192000 766.8956 2159.5071 1964.3798 107.2859 -206109.6276 17666.8723 0.0000 0.0000 34337.5668 -149107.1202 299.8785 -183444.6870 -149011.5951 299.6852 -61.9300 -26.9548 557600.7303 15.3581 15.4578 PRESSURE: 2192200 66.2398 -61.1569 -2.13587 -61.1568 -62.0767 -87.3529 -2.1353 -87.3528 -14.3141 GPRESSURE: 2192200 105.645 40.0815 -55.21 -49.1293 -93.5547 -27.0188 29.2548 30.5844 53.4215 PRESSAVG: 2192200 -18.5215 -59.8429 22.0428 -59.8429 20.931 8.48158 22.0428 8.48168 -18.0476 GPRESSAVG: 2192200 -18.3104 -61.1897 19.5888 -58.6723 20.7011 10.5229 23.4648 8.3426 -17.6483 TIMING: 2192200 CPU: 6354.76, 0.00290642/step Wall: 6354.76, 0.00290642/step, 2.26685 hours remaining, 209.242188 MB of memory in use. ENERGY: 2192200 762.7458 2062.1104 1960.5940 126.6637 -206223.7963 17811.0865 0.0000 0.0000 34350.7267 -149149.8692 299.9934 -183500.5960 -149059.9493 299.9563 -3.3837 21.8373 557710.2602 -5.2127 -5.0859 LDB: ============= START OF LOAD BALANCING ============== 6358.15 LDB: ============== END OF LOAD BALANCING =============== 6358.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6358.15 LDB: ============= START OF LOAD BALANCING ============== 6358.44 LDB: Largest compute 4820 load 0.025027 is 21.2% of average load 0.117979 LDB: Average compute 0.001741 is 1.5% of average load 0.117979 LDB: TIME 6358.44 LOAD: AVG 0.117979 MAX 0.1843 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 6358.44 LOAD: AVG 0.117979 MAX 0.1843 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.785 MB LDB: TIME 6358.44 LOAD: AVG 0.117979 MAX 0.1843 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.785 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6358.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6358.45 PRESSURE: 2192400 -78.1537 -233.22 76.6231 -233.22 -31.7376 -28.7465 76.6234 -28.7463 98.2325 GPRESSURE: 2192400 -79.9972 -233.253 112.695 -143.441 27.2124 23.4535 36.5566 -39.855 149.09 PRESSAVG: 2192400 -22.0523 -56.5577 9.23111 -56.5576 28.9895 13.2993 9.23116 13.2993 2.35223 GPRESSAVG: 2192400 -22.3056 -57.3988 8.5845 -57.0127 29.4289 12.6618 8.24969 14.6486 2.09113 TIMING: 2192400 CPU: 6355.35, 0.00296936/step Wall: 6355.35, 0.00296936/step, 2.31577 hours remaining, 208.980469 MB of memory in use. ENERGY: 2192400 737.2943 2048.6395 1958.0192 111.8262 -206151.1385 17937.9080 0.0000 0.0000 34196.1998 -149161.2515 298.6439 -183357.4513 -149065.3475 298.9354 -3.8862 32.1017 558440.7153 3.0965 3.0715 PRESSURE: 2192600 321.769 -97.9198 -181.114 -97.9196 106.264 82.8315 -181.113 82.8322 190.866 GPRESSURE: 2192600 409.424 -161.289 -163.604 -38.2591 73.6827 70.2884 -121.96 122.124 225.099 PRESSAVG: 2192600 40.6035 0.916035 -51.5709 0.915963 -69.2118 8.68922 -51.5709 8.68905 27.775 GPRESSAVG: 2192600 41.9302 1.97799 -49.1611 -0.462351 -70.5698 9.2772 -50.4669 7.81546 27.7134 TIMING: 2192600 CPU: 6355.93, 0.0029118/step Wall: 6355.93, 0.0029118/step, 2.27072 hours remaining, 209.183594 MB of memory in use. ENERGY: 2192600 734.0976 2070.5547 1972.2261 114.6994 -206285.4468 18028.1068 0.0000 0.0000 34194.1440 -149171.6183 298.6260 -183365.7623 -149084.1993 299.3268 206.2997 236.0686 557004.9919 -0.2778 -0.3087 PRESSURE: 2192800 -97.3571 29.7058 142.262 29.7058 130.473 -49.1012 142.263 -49.102 -77.9494 GPRESSURE: 2192800 -62.9146 -34.9533 174.013 19.4387 165.202 73.6326 151.072 -42.1615 -57.0108 PRESSAVG: 2192800 -22.0122 -32.5692 -50.2587 -32.5691 64.6321 -20.299 -50.2588 -20.299 -35.2619 GPRESSAVG: 2192800 -23.3736 -34.3505 -49.9189 -30.4073 63.9692 -17.9502 -51.6178 -20.2055 -32.917 TIMING: 2192800 CPU: 6356.52, 0.0029049/step Wall: 6356.52, 0.0029049/step, 2.26518 hours remaining, 209.183594 MB of memory in use. ENERGY: 2192800 771.2523 2066.6155 1973.6740 121.0747 -206391.4051 17980.7968 0.0000 0.0000 34216.5046 -149261.4872 298.8212 -183477.9918 -149170.0818 299.5856 -14.9447 15.0920 559330.3718 2.4527 2.5595 PRESSURE: 2193000 24.7938 -159.73 28.9868 -159.729 83.632 -160.574 28.9858 -160.573 114.599 GPRESSURE: 2193000 82.0458 -106.252 -45.6096 -203.18 93.5406 -203.146 26.9735 -113.231 137.748 PRESSAVG: 2193000 48.9755 9.71307 7.80476 9.71305 -43.5761 5.78556 7.80484 5.78563 -11.5365 GPRESSAVG: 2193000 48.8597 10.2653 7.29259 7.58897 -42.1979 1.7774 9.05877 5.65002 -12.8149 TIMING: 2193000 CPU: 6357.09, 0.00288464/step Wall: 6357.09, 0.00288464/step, 2.24922 hours remaining, 209.183594 MB of memory in use. ENERGY: 2193000 736.8787 2106.6176 1966.4756 110.9924 -206723.8398 18229.4956 0.0000 0.0000 34161.6602 -149411.7197 298.3423 -183573.3799 -149310.0255 298.7320 74.3417 104.4448 559529.2715 -2.0457 -2.0510 PRESSURE: 2193200 -49.4432 -145.699 173.922 -145.7 -80.6192 -59.7207 173.921 -59.7207 129.104 GPRESSURE: 2193200 -0.988576 -189.117 205.61 -82.4838 -41.1959 -37.434 122.345 27.2792 139.91 PRESSAVG: 2193200 -20.7656 -35.4485 55.9322 -35.4484 -80.0659 -54.0915 55.9323 -54.0916 12.7742 GPRESSAVG: 2193200 -19.9712 -34.0478 54.1675 -34.0387 -79.9218 -53.0998 57.6148 -52.0337 12.2164 TIMING: 2193200 CPU: 6357.67, 0.00289124/step Wall: 6357.67, 0.00289124/step, 2.2542 hours remaining, 209.183594 MB of memory in use. ENERGY: 2193200 734.6165 2103.7142 1971.9514 122.0628 -206418.3880 17836.3121 0.0000 0.0000 34181.5510 -149468.1800 298.5160 -183649.7311 -149373.1167 298.6816 -0.3196 32.5753 558573.6747 -29.3524 -29.2256 PRESSURE: 2193400 -12.7708 -56.1778 58.6488 -56.1795 -159.806 -71.9932 58.647 -71.9938 166.879 GPRESSURE: 2193400 48.5471 -20.5205 63.5612 -70.0686 -95.7972 -92.1583 30.9372 -67.3465 139.885 PRESSAVG: 2193400 -1.62813 -11.4802 40.2525 -11.4802 30.8895 10.6048 40.2525 10.6047 0.0758119 GPRESSAVG: 2193400 -1.80682 -13.0975 41.0258 -9.35394 30.4718 10.3837 37.7016 7.70721 0.790753 TIMING: 2193400 CPU: 6358.25, 0.0029077/step Wall: 6358.25, 0.0029077/step, 2.26687 hours remaining, 209.183594 MB of memory in use. ENERGY: 2193400 732.3612 2090.0569 1957.6819 126.3493 -206629.5359 17949.3346 0.0000 0.0000 34328.4756 -149445.2765 299.7991 -183773.7521 -149346.0503 299.0612 -1.8995 30.8785 557968.5144 9.7791 9.8186 PRESSURE: 2193600 67.4662 -65.5814 -210.939 -65.5814 -253.603 -196.607 -210.939 -196.606 190.897 GPRESSURE: 2193600 72.2451 -36.181 -183.531 -180.271 -229.375 -166.848 -229.118 -176.409 251.304 PRESSAVG: 2193600 -29.2982 -20.8524 -44.6324 -20.8525 53.9767 -13.5966 -44.6325 -13.5965 33.8007 GPRESSAVG: 2193600 -28.3599 -18.3342 -45.0423 -23.5811 53.2871 -13.0585 -42.6505 -14.7341 33.5108 TIMING: 2193600 CPU: 6358.83, 0.00288222/step Wall: 6358.83, 0.00288222/step, 2.24685 hours remaining, 209.183594 MB of memory in use. ENERGY: 2193600 752.8859 2098.2446 1945.5577 124.5038 -206322.2329 17892.4557 0.0000 0.0000 33968.6339 -149539.9513 296.6565 -183508.5852 -149445.5969 298.0955 1.5867 31.3914 555938.7478 19.4931 19.4793 PRESSURE: 2193800 -18.9514 -37.0272 -0.521409 -37.027 -55.2884 73.2101 -0.521615 73.2081 -286.984 GPRESSURE: 2193800 12.3263 -37.1364 -14.1841 -7.30467 -8.69867 82.9903 -42.5313 43.1962 -258.988 PRESSAVG: 2193800 68.0585 19.4749 45.5677 19.4749 -19.0522 -19.5748 45.5674 -19.5748 -57.4414 GPRESSAVG: 2193800 67.67 19.4152 44.7745 20.5542 -18.0298 -18.9141 46.2988 -17.5491 -57.7684 TIMING: 2193800 CPU: 6359.4, 0.00287439/step Wall: 6359.4, 0.00287439/step, 2.24059 hours remaining, 209.183594 MB of memory in use. ENERGY: 2193800 762.4052 2000.2038 1931.4010 113.9885 -206123.7308 17652.0524 0.0000 0.0000 34287.5216 -149376.1584 299.4415 -183663.6800 -149272.5952 297.9896 -120.4079 -85.1201 557993.4893 -2.8117 -2.7094 PRESSURE: 2194000 -128.574 6.28898 -80.2236 6.28835 -135.779 130.301 -80.2244 130.301 -275.654 GPRESSURE: 2194000 -188.393 -37.6572 -138.639 47.0774 -94.1422 92.7991 -22.9533 104.784 -165.641 PRESSAVG: 2194000 45.0889 24.9246 55.4841 24.9245 17.3067 49.644 55.4841 49.6439 -64.0275 GPRESSAVG: 2194000 46.2458 24.8354 56.7284 24.1395 16.5534 47.9137 53.479 49.4973 -63.8369 TIMING: 2194000 CPU: 6359.98, 0.00287553/step Wall: 6359.98, 0.00287553/step, 2.24132 hours remaining, 209.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2194000 728.8634 2081.1666 1950.4445 128.6743 -206164.4290 17669.9926 0.0000 0.0000 34184.8311 -149420.4564 298.5446 -183605.2876 -149323.8028 299.0966 -180.0025 -149.3921 558399.8390 -0.5439 -0.3459 PRESSURE: 2194200 -8.19053 65.7887 -86.322 65.7881 -75.8521 -179.609 -86.322 -179.608 -32.3488 GPRESSURE: 2194200 43.2487 176.347 -120.284 32.8877 -105.392 -236.333 -74.041 -158.769 19.1877 PRESSAVG: 2194200 15.4278 67.6507 -1.93198 67.6508 -40.5998 108.127 -1.93201 108.127 -54.986 GPRESSAVG: 2194200 14.711 66.0936 -1.89236 66.6383 -40.8227 107.173 -0.788753 109.405 -54.6878 TIMING: 2194200 CPU: 6360.56, 0.00288282/step Wall: 6360.56, 0.00288282/step, 2.24684 hours remaining, 209.183594 MB of memory in use. ENERGY: 2194200 749.9648 2090.1671 1949.4186 111.4382 -206059.4130 17667.5083 0.0000 0.0000 34248.4565 -149242.4594 299.1003 -183490.9160 -149156.3805 298.6324 -38.7972 -14.3185 557644.7741 -26.7193 -26.9332 PRESSURE: 2194400 142.375 -184.94 -61.9854 -184.941 -106.935 -83.7894 -61.9856 -83.7886 -96.8764 GPRESSURE: 2194400 147.647 -212.715 -7.29263 -166.072 -64.7902 -74.9383 4.85812 -72.2438 -53.358 PRESSAVG: 2194400 -9.73095 -17.1478 10.1773 -17.1478 -11.8704 0.77175 10.1772 0.771787 25.1767 GPRESSAVG: 2194400 -10.9597 -16.992 9.82733 -15.3351 -10.7513 3.12902 11.8035 -0.875536 25.1478 TIMING: 2194400 CPU: 6361.14, 0.00290927/step Wall: 6361.14, 0.00290927/step, 2.26729 hours remaining, 209.476562 MB of memory in use. ENERGY: 2194400 717.1787 2112.2146 1944.5243 118.0190 -206271.4041 17807.8610 0.0000 0.0000 34364.2482 -149207.3582 300.1115 -183571.6065 -149112.7445 298.6419 -20.4787 9.8331 557700.5221 1.1918 1.1456 PRESSURE: 2194600 -7.03334 39.8102 -50.2253 39.8083 180.14 -118.162 -50.2251 -118.161 -43.8542 GPRESSURE: 2194600 -7.05989 -58.6458 -11.0631 -19.1607 251.843 -125.674 -77.6106 -35.9684 -26.2988 PRESSAVG: 2194600 30.9101 -68.5769 -28.0393 -68.5769 3.66982 20.3585 -28.0392 20.3586 -22.0811 GPRESSAVG: 2194600 31.5508 -68.642 -27.6769 -70.6794 4.19956 18.3988 -29.1033 22.6025 -23.4744 TIMING: 2194600 CPU: 6361.72, 0.00289105/step Wall: 6361.72, 0.00289105/step, 2.25293 hours remaining, 209.476562 MB of memory in use. ENERGY: 2194600 804.2749 2068.8384 1945.6095 110.7100 -205768.6800 17772.0547 0.0000 0.0000 34055.6631 -149011.5294 297.4166 -183067.1925 -148913.9936 299.5681 43.0841 72.8282 557475.1859 4.1663 4.0920 PRESSURE: 2194800 -20.0318 64.2298 54.0696 64.2304 -33.2447 74.7071 54.0696 74.7071 61.7367 GPRESSURE: 2194800 60.1883 79.2567 0.559473 50.4122 -20.798 84.0606 27.1203 108.855 76.8649 PRESSAVG: 2194800 -21.2171 -74.0828 3.0212 -74.0829 -14.6 23.1027 3.02113 23.1028 -14.6138 GPRESSAVG: 2194800 -19.7016 -74.7397 4.20835 -72.646 -15.6625 24.701 0.453753 21.6088 -14.2154 TIMING: 2194800 CPU: 6362.29, 0.00288704/step Wall: 6362.29, 0.00288704/step, 2.24965 hours remaining, 209.542969 MB of memory in use. ENERGY: 2194800 759.6151 2042.9054 1919.3779 113.6549 -206017.1856 17743.8715 0.0000 0.0000 34345.5778 -149092.1830 299.9485 -183437.7608 -148988.6547 299.8579 2.8201 38.7517 556468.2117 -16.8103 -16.5265 PRESSURE: 2195000 -114.661 188.206 281.059 188.206 -363.153 146.24 281.058 146.238 38.9989 GPRESSURE: 2195000 -20.5033 203.758 276.335 202.057 -367.655 140.71 273.59 115.279 46.9047 PRESSAVG: 2195000 71.6793 38.9344 60.6582 38.9344 -40.4671 -2.11091 60.6582 -2.11082 18.7517 GPRESSAVG: 2195000 70.4336 39.0803 59.807 40.7757 -40.3044 -2.29772 62.7519 -2.93764 19.1537 TIMING: 2195000 CPU: 6362.87, 0.00288632/step Wall: 6362.87, 0.00288632/step, 2.24892 hours remaining, 209.542969 MB of memory in use. ENERGY: 2195000 774.0748 2061.6617 1934.0217 109.6521 -206016.7177 17549.7446 0.0000 0.0000 34312.2377 -149275.3251 299.6573 -183587.5629 -149183.4130 299.2481 -146.2716 -113.7513 556642.0843 16.6546 16.4276 PRESSURE: 2195200 -180.12 83.52 118.988 83.52 -132.413 64.4816 118.988 64.4815 -164.089 GPRESSURE: 2195200 -180.515 73.1226 188.452 123.366 -100.778 9.56273 56.8381 13.5072 -105.891 PRESSAVG: 2195200 -1.57953 21.7156 64.8154 21.7157 -14.0384 38.5615 64.8154 38.5615 46.2592 GPRESSAVG: 2195200 -2.45101 20.8667 67.9173 19.8966 -12.4181 37.9722 64.3531 40.2857 45.7815 TIMING: 2195200 CPU: 6363.45, 0.00289096/step Wall: 6363.45, 0.00289096/step, 2.25238 hours remaining, 209.542969 MB of memory in use. ENERGY: 2195200 751.6967 2103.3405 1925.2087 105.5723 -205674.9649 17489.2904 0.0000 0.0000 34302.9149 -148996.9414 299.5759 -183299.8563 -148888.1704 299.8280 -158.8740 -129.0612 558334.6768 10.2137 10.3041 PRESSURE: 2195400 -35.9123 4.70037 96.203 4.70006 -167.307 -142.814 96.2018 -142.816 -331.84 GPRESSURE: 2195400 -11.7693 128.817 30.6984 8.13386 -132.929 -118.963 62.2219 -102.904 -289.892 PRESSAVG: 2195400 5.75458 35.9786 32.2049 35.9787 -38.8358 -12.0873 32.205 -12.0873 25.1212 GPRESSAVG: 2195400 6.77629 38.4111 28.9216 36.6286 -38.8858 -12.1116 33.9322 -12.8782 24.455 TIMING: 2195400 CPU: 6364.02, 0.00286353/step Wall: 6364.02, 0.00286353/step, 2.23085 hours remaining, 209.542969 MB of memory in use. ENERGY: 2195400 762.4134 2120.7892 1924.2064 103.3150 -205881.7837 17485.0744 0.0000 0.0000 34216.5428 -149269.4427 298.8216 -183485.9854 -149164.6011 299.5064 -178.3528 -144.8634 557162.6144 -2.6533 -2.5515 PRESSURE: 2195600 0.0777313 -136.319 6.12657 -136.32 103.916 211.027 6.12643 211.03 -191.246 GPRESSURE: 2195600 81.0094 -198.211 5.86082 -58.333 109.397 156.698 -61.4173 172.859 -167.159 PRESSAVG: 2195600 21.8324 -6.87559 -2.76318 -6.87551 4.26072 22.3419 -2.76311 22.3418 -27.5855 GPRESSAVG: 2195600 21.7382 -7.81736 -3.15232 -6.3051 2.62407 24.434 -4.80739 21.0972 -25.9195 TIMING: 2195600 CPU: 6364.6, 0.00289454/step Wall: 6364.6, 0.00289454/step, 2.25484 hours remaining, 209.542969 MB of memory in use. ENERGY: 2195600 738.2576 2070.5647 1901.0908 117.1038 -206261.6682 17865.9983 0.0000 0.0000 34226.1897 -149342.4633 298.9058 -183568.6530 -149250.2624 298.9243 -29.0841 7.7491 558983.2760 -0.4975 -0.5191 PRESSURE: 2195800 -266.511 -95.7086 -41.4911 -95.7082 -314.675 106.612 -41.4908 106.609 43.5299 GPRESSURE: 2195800 -254.204 -62.2827 -18.011 -58.6429 -286.983 104.719 -15.3432 49.5544 100.515 PRESSAVG: 2195800 -59.8201 -42.5499 -51.7037 -42.5499 53.0154 39.7788 -51.7037 39.7789 6.11916 GPRESSAVG: 2195800 -60.4977 -41.6482 -50.8357 -42.6409 54.5605 37.108 -50.5897 42.0211 5.10864 TIMING: 2195800 CPU: 6365.17, 0.00286551/step Wall: 6365.17, 0.00286551/step, 2.23207 hours remaining, 209.542969 MB of memory in use. ENERGY: 2195800 724.6309 2091.4362 1957.5874 114.1065 -205939.2865 17515.2860 0.0000 0.0000 34224.5293 -149311.7102 298.8913 -183536.2394 -149219.2182 298.0581 -179.2187 -146.8905 557941.0693 -0.2285 -0.2762 PRESSURE: 2196000 -175.571 116.613 -59.7056 116.613 49.5042 -139.177 -59.7047 -139.178 -23.3551 GPRESSURE: 2196000 -200.686 126.706 3.70795 79.9471 77.6417 -114.178 -41.8488 -122.047 68.7879 PRESSAVG: 2196000 -54.5972 51.8551 -50.2041 51.855 -25.8426 -63.4694 -50.2042 -63.4693 57.9537 GPRESSAVG: 2196000 -55.0609 50.0584 -48.3797 51.5909 -25.6885 -61.5277 -51.6554 -66.0182 58.5281 TIMING: 2196000 CPU: 6365.75, 0.0028771/step Wall: 6365.75, 0.0028771/step, 2.24094 hours remaining, 209.542969 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: 2196000 791.7995 2099.6011 1963.1353 116.0099 -206102.7752 17643.6112 0.0000 0.0000 34266.1895 -149222.4286 299.2552 -183488.6181 -149126.0671 299.1821 -49.8074 -18.0854 555433.8995 -7.4954 -7.4071 PRESSURE: 2196200 -9.71382 153.742 15.0434 153.742 513.197 -71.3913 15.0434 -71.3919 -102.522 GPRESSURE: 2196200 41.372 120.022 50.2927 231.551 515.408 -107.439 -2.1849 33.3493 -47.8325 PRESSAVG: 2196200 -39.3338 7.89359 -10.3636 7.89367 30.2307 35.8936 -10.3636 35.8936 -1.34846 GPRESSAVG: 2196200 -38.4518 8.89996 -11.9372 7.59673 29.3262 36.131 -7.60657 37.5024 -0.596447 TIMING: 2196200 CPU: 6366.33, 0.00288398/step Wall: 6366.33, 0.00288398/step, 2.24614 hours remaining, 209.542969 MB of memory in use. ENERGY: 2196200 734.7618 2066.1678 1934.3617 112.6512 -206169.9928 17953.0810 0.0000 0.0000 34348.7600 -149020.2094 299.9763 -183368.9694 -148927.2353 300.0164 133.6537 169.6493 558573.7701 -3.4838 -3.2407 LDB: ============= START OF LOAD BALANCING ============== 6369.71 LDB: ============== END OF LOAD BALANCING =============== 6369.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6369.71 LDB: ============= START OF LOAD BALANCING ============== 6370 LDB: Largest compute 4820 load 0.026162 is 22.2% of average load 0.117814 LDB: Average compute 0.001746 is 1.5% of average load 0.117814 LDB: TIME 6370 LOAD: AVG 0.117814 MAX 0.18003 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 6370 LOAD: AVG 0.117814 MAX 0.18003 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: TIME 6370 LOAD: AVG 0.117814 MAX 0.18003 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: ============== END OF LOAD BALANCING =============== 6370 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6370.01 PRESSURE: 2196400 91.0439 57.1189 -103.709 57.1177 77.9083 78.427 -103.709 78.4282 296.766 GPRESSURE: 2196400 177.225 38.2629 -136.278 13.5191 93.9556 101.77 -121.348 7.32335 294.419 PRESSAVG: 2196400 -6.13061 30.2584 -43.8688 30.2584 65.5225 -9.58155 -43.8689 -9.58154 -16.0635 GPRESSAVG: 2196400 -5.83321 31.1869 -44.9328 28.523 64.5889 -9.65615 -42.0735 -9.89134 -15.156 TIMING: 2196400 CPU: 6366.91, 0.00292659/step Wall: 6366.91, 0.00292659/step, 2.27916 hours remaining, 208.980469 MB of memory in use. ENERGY: 2196400 737.6946 2138.3464 1954.4815 108.5392 -206047.3248 17807.8148 0.0000 0.0000 34281.5127 -149018.9357 299.3890 -183300.4483 -148925.5376 299.9899 155.2395 188.5331 557636.9518 14.4428 14.5332 PRESSURE: 2196600 153.833 5.96583 -165.147 5.96571 145.457 93.2128 -165.147 93.2123 -20.6189 GPRESSURE: 2196600 203.816 -72.4457 -78.5219 54.7369 176.625 137.075 -132.121 74.6009 0.0408294 PRESSAVG: 2196600 -47.4137 34.0675 19.2025 34.0675 -23.8339 70.3628 19.2024 70.3627 63.9303 GPRESSAVG: 2196600 -48.0467 33.1112 18.3715 34.87 -22.5373 68.5148 16.8209 71.6012 63.7332 TIMING: 2196600 CPU: 6367.49, 0.0028854/step Wall: 6367.49, 0.0028854/step, 2.24692 hours remaining, 209.179688 MB of memory in use. ENERGY: 2196600 704.7586 2110.2908 1963.1799 118.3625 -206241.9377 18012.8129 0.0000 0.0000 34204.4743 -149128.0587 298.7162 -183332.5330 -149025.2504 299.2851 92.8903 126.8274 560122.1202 -2.4391 -2.2836 PRESSURE: 2196800 -226.751 107.173 -139.613 107.173 -124.691 -96.3482 -139.613 -96.348 -234.082 GPRESSURE: 2196800 -220.313 119.238 -114.302 116.59 -88.9904 -133.946 -124.988 -133.999 -186.3 PRESSAVG: 2196800 3.63222 11.1127 -29.8946 11.1127 -46.7726 63.6476 -29.8946 63.6475 36.9866 GPRESSAVG: 2196800 4.54074 10.0895 -28.0474 13.5393 -46.8937 63.5438 -30.0539 64.5183 35.9788 TIMING: 2196800 CPU: 6368.06, 0.00286473/step Wall: 6368.06, 0.00286473/step, 2.23067 hours remaining, 209.296875 MB of memory in use. ENERGY: 2196800 750.7966 2094.8485 1925.0296 118.7148 -205798.6091 17641.7168 0.0000 0.0000 34142.2763 -149125.2265 298.1730 -183267.5028 -149030.7363 299.0831 -195.1747 -165.2012 560123.5618 -2.0512 -2.1247 PRESSURE: 2197000 354.648 20.7752 -52.5364 20.7753 243.805 13.0782 -52.5371 13.0804 226.569 GPRESSURE: 2197000 421.157 29.894 -42.7192 -46.5605 246.334 -63.1726 0.300895 109.477 236.292 PRESSAVG: 2197000 -7.55319 -19.2021 -34.9775 -19.2021 -14.7445 2.29098 -34.9776 2.29103 38.1272 GPRESSAVG: 2197000 -7.44739 -19.6995 -35.7274 -19.3736 -15.7691 1.62871 -35.6616 0.573807 39.4118 TIMING: 2197000 CPU: 6368.63, 0.00286396/step Wall: 6368.63, 0.00286396/step, 2.22991 hours remaining, 209.296875 MB of memory in use. ENERGY: 2197000 713.4302 2060.2074 1948.2421 107.1875 -206664.0247 18282.1601 0.0000 0.0000 34267.4247 -149285.3727 299.2659 -183552.7974 -149186.7285 299.0635 275.0071 301.2610 557018.4127 5.2765 5.3984 PRESSURE: 2197200 -218.448 43.5684 37.4582 43.5675 -141.751 -28.5794 37.4579 -28.5785 187.518 GPRESSURE: 2197200 -185.79 157.244 12.9355 -11.7614 -83.1298 28.9456 89.3669 -99.8326 188.97 PRESSAVG: 2197200 -2.59565 4.32424 -55.5084 4.32428 -24.3569 22.1595 -55.5084 22.1595 16.228 GPRESSAVG: 2197200 -3.58545 3.11859 -55.7071 4.45528 -22.9998 25.0371 -53.5403 23.2679 15.6387 TIMING: 2197200 CPU: 6369.21, 0.00286834/step Wall: 6369.21, 0.00286834/step, 2.23316 hours remaining, 209.296875 MB of memory in use. ENERGY: 2197200 736.4353 2089.4642 1955.8073 117.8078 -205644.8907 17574.7778 0.0000 0.0000 34030.1891 -149140.4091 297.1941 -183170.5982 -149045.1112 299.2353 -57.5600 -26.6499 559177.0060 -3.5748 -3.6488 PRESSURE: 2197400 -50.8352 137.934 -71.7239 137.934 -275.962 156.827 -71.7261 156.827 -286.491 GPRESSURE: 2197400 -51.7496 161.538 -95.2214 153.281 -243.047 35.1967 -85.2986 193.253 -209.948 PRESSAVG: 2197400 3.57453 72.7153 -34.2591 72.7153 -2.87897 7.93233 -34.259 7.93222 60.9728 GPRESSAVG: 2197400 4.1856 71.9549 -34.9238 72.6654 -2.91241 6.75687 -34.7148 6.9089 60.6919 TIMING: 2197400 CPU: 6369.78, 0.00287678/step Wall: 6369.78, 0.00287678/step, 2.23958 hours remaining, 209.296875 MB of memory in use. ENERGY: 2197400 737.9748 2068.0701 1957.7526 108.7234 -206055.6015 17506.4909 0.0000 0.0000 34461.1220 -149215.4677 300.9575 -183676.5897 -149122.2257 299.7036 -204.4297 -168.2483 558202.0984 20.5561 20.6550 PRESSURE: 2197600 -98.2455 53.6271 -51.1822 53.6277 58.5804 103.602 -51.1818 103.604 -125.003 GPRESSURE: 2197600 -16.5929 84.7287 25.2243 -5.49934 -8.29785 147.809 -124.864 55.0145 -43.9409 PRESSAVG: 2197600 64.3761 52.7475 -9.99809 52.7475 -5.39326 71.6967 -9.99806 71.6967 -22.7002 GPRESSAVG: 2197600 64.4785 54.6412 -8.90123 51.0644 -5.71934 71.9471 -10.8039 72.2768 -22.6252 TIMING: 2197600 CPU: 6370.36, 0.00287205/step Wall: 6370.36, 0.00287205/step, 2.23573 hours remaining, 209.296875 MB of memory in use. ENERGY: 2197600 759.2039 2098.6180 1935.5489 111.3246 -206021.0436 17679.5966 0.0000 0.0000 34254.0197 -149182.7317 299.1489 -183436.7514 -149095.9374 299.2142 -54.8894 -22.9439 555725.6492 12.0942 12.0447 PRESSURE: 2197800 -16.6591 15.3203 28.9363 15.3209 -175.797 37.459 28.9353 37.4581 -361.557 GPRESSURE: 2197800 24.8327 71.3361 97.9335 -44.5498 -119.475 -10.2422 15.9077 -9.74073 -355.939 PRESSAVG: 2197800 23.3864 -23.5392 21.8209 -23.5392 -28.5087 -4.52453 21.8208 -4.52442 -15.8691 GPRESSAVG: 2197800 23.9752 -24.0238 22.8407 -23.4782 -27.6516 -5.72697 21.8449 -4.23071 -17.2415 TIMING: 2197800 CPU: 6370.93, 0.00286354/step Wall: 6370.93, 0.00286354/step, 2.22895 hours remaining, 209.296875 MB of memory in use. ENERGY: 2197800 777.9960 2039.2482 1922.0696 108.6368 -205995.7461 17586.6799 0.0000 0.0000 34289.0871 -149272.0285 299.4551 -183561.1156 -149176.8394 299.8665 -184.6711 -150.1937 557244.2298 -6.9971 -6.9727 PRESSURE: 2198000 180.134 64.1487 -2.87514 64.1466 -37.5701 -53.7116 -2.8753 -53.7112 -78.4196 GPRESSURE: 2198000 160.796 34.3677 -28.0836 117.362 60.0741 -94.3165 4.44552 14.2929 -57.1832 PRESSAVG: 2198000 33.3193 19.7652 -2.64678 19.7652 61.7576 -2.89092 -2.64677 -2.89089 -80.2654 GPRESSAVG: 2198000 31.5725 20.3882 -3.80311 20.159 63.1661 -2.47614 -2.81386 -4.30627 -79.9568 TIMING: 2198000 CPU: 6371.5, 0.00286959/step Wall: 6371.5, 0.00286959/step, 2.2335 hours remaining, 209.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2198000 711.5280 2082.7879 1927.4418 133.5824 -206072.0230 17657.0969 0.0000 0.0000 34319.7537 -149239.8322 299.7229 -183559.5859 -149142.6655 299.4684 21.3814 54.5623 557012.2379 4.9372 4.9273 PRESSURE: 2198200 120.895 -73.1882 -132.169 -73.1887 25.9968 202.341 -132.169 202.341 -1.88644 GPRESSURE: 2198200 130.928 -71.7182 -150.492 0.964585 12.0548 188.564 -178.426 183.389 84.6911 PRESSAVG: 2198200 36.0914 -37.7109 -19.5568 -37.7109 46.1339 -40.222 -19.5568 -40.2219 -82.4816 GPRESSAVG: 2198200 35.7456 -36.5963 -19.2097 -37.6976 44.7651 -40.891 -19.8753 -37.3322 -80.9415 TIMING: 2198200 CPU: 6372.08, 0.00287758/step Wall: 6372.08, 0.00287758/step, 2.23956 hours remaining, 209.296875 MB of memory in use. ENERGY: 2198200 717.3303 2053.4692 1938.5734 113.7835 -206127.3271 17711.5981 0.0000 0.0000 34231.7452 -149360.8273 298.9543 -183592.5725 -149264.9098 299.1751 48.3350 75.8914 557257.9062 -0.0855 -0.1436 PRESSURE: 2198400 -233.703 71.3977 -88.5797 71.3985 -179.92 89.3145 -88.5809 89.3137 -111.806 GPRESSURE: 2198400 -129.319 93.3979 -26.4379 80.6046 -173.854 165.197 -200.869 70.815 -118.618 PRESSAVG: 2198400 -23.5518 -4.53735 -39.869 -4.53737 36.4061 34.8341 -39.869 34.8341 20.9353 GPRESSAVG: 2198400 -22.3654 -6.83879 -40.2256 -4.8405 36.61 35.3442 -40.3816 33.3976 19.2942 TIMING: 2198400 CPU: 6372.66, 0.00289238/step Wall: 6372.66, 0.00289238/step, 2.25091 hours remaining, 209.296875 MB of memory in use. ENERGY: 2198400 753.1173 2053.4197 1925.0229 109.0750 -206459.5636 17760.6380 0.0000 0.0000 34375.6960 -149482.5946 300.2115 -183858.2906 -149393.5429 299.2017 -175.1431 -140.5970 557276.4871 11.2632 11.1796 PRESSURE: 2198600 -56.605 26.8383 -51.4289 26.8401 102.199 145.322 -51.4285 145.321 -119.455 GPRESSURE: 2198600 -32.6327 63.7798 -36.521 13.3856 92.3724 133.803 -54.7661 58.7376 -49.5252 PRESSAVG: 2198600 -64.274 52.8147 8.46852 52.8148 -1.36086 -15.8311 8.46861 -15.8311 -9.13204 GPRESSAVG: 2198600 -64.5708 54.3095 9.41936 53.5786 -1.80357 -15.7128 8.61287 -16.9496 -8.67406 TIMING: 2198600 CPU: 6373.24, 0.00289734/step Wall: 6373.24, 0.00289735/step, 2.25462 hours remaining, 209.296875 MB of memory in use. ENERGY: 2198600 733.9905 2051.7624 1933.6498 100.7898 -206112.1114 17667.8664 0.0000 0.0000 34171.9826 -149452.0700 298.4324 -183624.0526 -149355.7182 298.3122 -24.6201 3.4048 556581.5385 -24.9223 -25.0161 PRESSURE: 2198800 -83.7441 -155.218 117.041 -155.218 -4.35882 138.837 117.04 138.836 -70.6008 GPRESSURE: 2198800 -63.7188 -155.068 120.282 -117.712 84.6499 118.614 168.864 73.1544 -79.7331 PRESSAVG: 2198800 -10.4959 -18.8345 5.66518 -18.8345 -27.1165 36.5394 5.66513 36.5394 84.4684 GPRESSAVG: 2198800 -9.42382 -18.5307 4.62757 -19.3903 -28.1366 36.7099 6.3515 39.1216 84.8459 TIMING: 2198800 CPU: 6373.81, 0.00289087/step Wall: 6373.81, 0.00289087/step, 2.24942 hours remaining, 209.296875 MB of memory in use. ENERGY: 2198800 721.0710 2043.0437 1982.9157 110.0820 -206310.5696 17719.3467 0.0000 0.0000 34213.6591 -149520.4514 298.7964 -183734.1104 -149433.8353 298.7049 -52.9012 -19.6007 555770.4964 15.6187 15.7618 PRESSURE: 2199000 -276.058 -92.7761 45.7033 -92.7769 -145.416 6.70918 45.7035 6.71084 -106.674 GPRESSURE: 2199000 -257.171 22.1938 13.0735 -108.379 -61.5025 -14.1159 73.7911 134.732 -119.654 PRESSAVG: 2199000 -1.90961 -26.7559 -44.6798 -26.756 -32.5271 -10.1754 -44.6798 -10.1754 -10.5923 GPRESSAVG: 2199000 -3.96183 -25.6171 -44.054 -27.1039 -31.123 -11.4009 -45.3592 -9.17696 -9.56442 TIMING: 2199000 CPU: 6374.39, 0.00287019/step Wall: 6374.39, 0.00287019/step, 2.23316 hours remaining, 209.296875 MB of memory in use. ENERGY: 2199000 757.7483 2101.0611 1945.7610 114.9283 -206280.7027 17696.0665 0.0000 0.0000 34275.7898 -149389.3477 299.3390 -183665.1375 -149294.3645 298.3585 -176.0490 -146.1095 557577.3274 -15.0097 -14.8831 PRESSURE: 2199200 -18.4845 44.0378 150.139 44.0383 -165.693 164.274 150.138 164.274 -50.2629 GPRESSURE: 2199200 -20.8256 -13.1353 185.692 136.856 -153.713 206.394 164.056 135.789 47.8078 PRESSAVG: 2199200 -18.4166 25.2735 6.24129 25.2735 -30.1158 1.09522 6.2412 1.09515 -25.8718 GPRESSAVG: 2199200 -18.7376 23.3798 5.68065 26.2175 -30.2237 2.45389 6.82175 -2.35216 -25.5645 TIMING: 2199200 CPU: 6374.97, 0.00289011/step Wall: 6374.97, 0.00289011/step, 2.24851 hours remaining, 209.296875 MB of memory in use. ENERGY: 2199200 742.9348 2081.5835 1957.8697 111.7582 -206241.8491 17733.0662 0.0000 0.0000 34276.0117 -149338.6249 299.3409 -183614.6366 -149245.8321 298.6874 -78.1467 -42.2437 558466.9169 -24.8014 -24.8419 PRESSURE: 2199400 -341.751 -129.354 -119.1 -129.352 151.768 -137.902 -119.099 -137.902 -223.205 GPRESSURE: 2199400 -207.27 -193.193 -130.624 -127.256 130.63 -225.767 -55.0331 -97.4504 -239.683 PRESSAVG: 2199400 21.3153 -26.4464 3.60905 -26.4463 7.37245 -16.9644 3.60903 -16.9644 -63.65 GPRESSAVG: 2199400 22.5225 -26.218 4.89725 -26.2732 6.96465 -19.5488 0.449556 -15.7684 -64.4832 TIMING: 2199400 CPU: 6375.55, 0.00289542/step Wall: 6375.55, 0.00289542/step, 2.25248 hours remaining, 209.296875 MB of memory in use. ENERGY: 2199400 746.5171 2042.7402 1954.9351 117.1388 -206290.0973 17690.8287 0.0000 0.0000 34396.0264 -149341.9110 300.3891 -183737.9374 -149247.6718 298.6860 -137.7292 -105.4411 557669.0237 -11.6541 -11.6653 PRESSURE: 2199600 -162.976 99.3328 52.3958 99.332 -255.567 21.0965 52.3962 21.0952 -190.73 GPRESSURE: 2199600 -166.214 71.1809 103.059 75.4873 -195.199 18.6913 -50.8103 105.355 -143.57 PRESSAVG: 2199600 0.528779 -54.6902 -11.9869 -54.6902 30.2957 21.1039 -11.9868 21.1039 5.40509 GPRESSAVG: 2199600 0.355225 -55.4563 -13.1106 -54.8137 28.9137 24.5962 -9.96983 22.5848 7.06051 TIMING: 2199600 CPU: 6376.13, 0.00289718/step Wall: 6376.13, 0.00289718/step, 2.25369 hours remaining, 209.296875 MB of memory in use. ENERGY: 2199600 708.0099 2060.5097 1935.2303 115.6147 -206011.3753 17462.8454 0.0000 0.0000 34268.9620 -149460.2032 299.2794 -183729.1653 -149364.3008 298.9612 -203.0913 -168.3276 558990.8373 12.0765 12.1098 PRESSURE: 2199800 -83.7762 183.92 -121.482 183.92 18.5986 18.7617 -121.481 18.762 1.49321 GPRESSURE: 2199800 -35.6434 156.115 -128.833 151.472 64.6388 -68.5946 -214.875 -38.1287 2.25378 PRESSAVG: 2199800 19.9508 30.2101 11.5116 30.2101 52.7702 29.6208 11.5116 29.6208 -51.2803 GPRESSAVG: 2199800 20.0521 30.4744 11.713 29.2207 54.1183 28.0614 10.3203 29.2451 -52.8377 TIMING: 2199800 CPU: 6376.71, 0.00290784/step Wall: 6376.71, 0.00290784/step, 2.26182 hours remaining, 209.296875 MB of memory in use. ENERGY: 2199800 742.7462 2042.3790 1947.9554 107.2316 -206404.1781 17890.9398 0.0000 0.0000 34139.5239 -149533.4021 298.1490 -183672.9260 -149439.4583 298.5559 -21.2281 10.4164 557517.5181 7.1469 7.1109 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2200000 WRITING COORDINATES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2200000 74.3844 -13.2825 -95.972 -13.2826 310.511 81.1748 -95.9701 81.1747 -17.957 GPRESSURE: 2200000 72.6419 -55.7941 -67.0155 -0.115027 346.404 115.871 -122.129 81.7722 40.395 PRESSAVG: 2200000 -43.3735 59.9811 -33.4052 59.981 79.2244 42.8811 -33.4051 42.8811 -42.5193 GPRESSAVG: 2200000 -43.6041 60.2386 -32.4682 60.1414 78.6319 42.0422 -32.5422 42.6646 -41.4936 TIMING: 2200000 CPU: 6377.29, 0.00293824/step Wall: 6377.29, 0.00293824/step, 2.2853 hours remaining, 209.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2200000 716.0344 2092.9309 1952.8700 117.6854 -206417.4005 17853.1664 0.0000 0.0000 34201.7655 -149482.9478 298.6925 -183684.7133 -149384.2301 298.3380 122.3127 153.1469 558299.0698 -2.2228 -2.1553 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING VELOCITIES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2200200 178.478 111.776 -6.19705 111.777 222.738 -78.8925 -6.1962 -78.8914 -477.765 GPRESSURE: 2200200 206.895 126.269 -82.8501 83.9461 216.286 15.2481 -76.1696 -22.1964 -417.491 PRESSAVG: 2200200 35.2928 1.68751 -15.1693 1.68754 92.2606 41.6779 -15.1693 41.6778 -83.3967 GPRESSAVG: 2200200 35.6659 0.851419 -16.7572 0.647462 91.7178 45.355 -15.1456 40.1709 -83.7838 TIMING: 2200200 CPU: 6377.88, 0.00291904/step Wall: 6377.88, 0.00291904/step, 2.2702 hours remaining, 209.296875 MB of memory in use. ENERGY: 2200200 747.3929 2076.0037 1938.1342 116.4075 -206232.9299 17913.4544 0.0000 0.0000 34075.0271 -149366.5102 297.5857 -183441.5373 -149272.8519 299.2126 -25.5162 1.8964 559564.4061 14.7189 14.5333 LDB: ============= START OF LOAD BALANCING ============== 6381.26 LDB: ============== END OF LOAD BALANCING =============== 6381.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6381.26 LDB: ============= START OF LOAD BALANCING ============== 6381.55 LDB: Largest compute 4820 load 0.026395 is 22.4% of average load 0.118020 LDB: Average compute 0.001741 is 1.5% of average load 0.118020 LDB: TIME 6381.55 LOAD: AVG 0.11802 MAX 0.180248 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.242 MB LDB: TIME 6381.55 LOAD: AVG 0.11802 MAX 0.180248 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.484 MB LDB: TIME 6381.55 LOAD: AVG 0.11802 MAX 0.180248 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6381.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6381.56 PRESSURE: 2200400 -111.848 28.8692 -128.437 28.8688 -262.482 31.0819 -128.436 31.0815 -202.455 GPRESSURE: 2200400 -91.3672 97.1188 -84.8035 -19.8869 -220.976 -33.9902 -97.6117 121.836 -164.013 PRESSAVG: 2200400 3.51493 -29.1856 -76.4243 -29.1855 -22.3611 25.5788 -76.4244 25.5788 -27.4911 GPRESSAVG: 2200400 3.06574 -26.6361 -76.7386 -30.5705 -20.8729 25.9486 -74.8857 28.2767 -28.5532 TIMING: 2200400 CPU: 6378.47, 0.00293445/step Wall: 6378.47, 0.00293445/step, 2.28203 hours remaining, 209.628906 MB of memory in use. ENERGY: 2200400 745.3628 2058.8709 1906.6825 116.8029 -206710.9701 17910.2404 0.0000 0.0000 34511.2533 -149461.7573 301.3954 -183973.0106 -149370.0647 298.5835 -192.2618 -158.7856 557672.3825 -15.4457 -15.4534 PRESSURE: 2200600 -24.421 -121.254 205.31 -121.254 23.6558 -49.1031 205.309 -49.1024 -83.5215 GPRESSURE: 2200600 1.17151 -121.428 247.764 -55.2854 25.9909 -36.018 156.186 -27.3101 -18.6556 PRESSAVG: 2200600 70.1892 46.9064 12.0026 46.9063 25.3159 19.2282 12.0027 19.2283 -49.56 GPRESSAVG: 2200600 69.2501 45.7246 13.1132 47.3149 24.2094 18.1946 11.188 14.6345 -48.0213 TIMING: 2200600 CPU: 6379.04, 0.00285572/step Wall: 6379.04, 0.00285572/step, 2.22064 hours remaining, 209.628906 MB of memory in use. ENERGY: 2200600 745.8472 2035.1045 1928.3794 114.3431 -206307.2498 17886.8655 0.0000 0.0000 34256.6450 -149340.0651 299.1718 -183596.7101 -149245.6617 298.5793 -28.0956 2.8356 557485.1938 15.3150 15.1461 PRESSURE: 2200800 76.0545 -120.647 26.1786 -120.647 -76.2829 -107.977 26.1789 -107.977 -217.602 GPRESSURE: 2200800 106.419 -114.918 16.3649 -180.432 -24.3204 -190.36 62.4749 14.6697 -202.201 PRESSAVG: 2200800 34.5314 -30.646 -21.3164 -30.6461 -14.9045 -39.6662 -21.3164 -39.6662 -63.1563 GPRESSAVG: 2200800 35.9193 -32.7604 -22.5326 -28.6627 -14.6317 -40.2326 -20.249 -35.9919 -64.6186 TIMING: 2200800 CPU: 6379.61, 0.00287294/step Wall: 6379.61, 0.00287294/step, 2.23387 hours remaining, 209.832031 MB of memory in use. ENERGY: 2200800 700.7142 2034.4713 1911.8449 107.7788 -206173.6674 17764.1407 0.0000 0.0000 34077.9008 -149576.8165 297.6108 -183654.7173 -149483.6633 298.5445 -72.6102 -40.0339 558695.7751 -14.5098 -14.4437 PRESSURE: 2201000 85.5153 85.6209 -147.128 85.6207 -371.938 -229.773 -147.129 -229.772 117.5 GPRESSURE: 2201000 111.658 202.757 -33.9343 32.4943 -297.741 -222.189 -190.799 -264.059 109.075 PRESSAVG: 2201000 90.9574 40.145 79.7736 40.1449 -71.3547 -10.556 79.7736 -10.556 11.0728 GPRESSAVG: 2201000 90.3277 41.4825 79.5155 39.5227 -71.4386 -11.1527 78.7784 -11.946 11.9812 TIMING: 2201000 CPU: 6380.19, 0.00287589/step Wall: 6380.19, 0.00287589/step, 2.23601 hours remaining, 209.832031 MB of memory in use. ENERGY: 2201000 737.7552 2091.2074 1953.8602 109.5892 -206464.7144 17999.4878 0.0000 0.0000 34050.8908 -149521.9239 297.3749 -183572.8147 -149423.8529 297.5869 -56.3075 -25.6692 558355.9415 10.2252 10.2901 PRESSURE: 2201200 -77.1117 -101.834 -241.458 -101.834 -358.95 -188.467 -241.458 -188.466 -355.811 GPRESSURE: 2201200 -52.8819 -33.5179 -204.133 -90.0365 -315.234 -159.726 -268.323 -169.079 -331.803 PRESSAVG: 2201200 53.8354 1.79084 -15.9265 1.79075 -127.635 13.4853 -15.9265 13.4854 36.7453 GPRESSAVG: 2201200 53.9617 1.88805 -15.8525 1.87567 -127.427 14.11 -16.5005 13.9773 37.1066 TIMING: 2201200 CPU: 6380.76, 0.00287841/step Wall: 6380.76, 0.00287841/step, 2.23781 hours remaining, 209.832031 MB of memory in use. ENERGY: 2201200 766.6670 2119.4085 1953.1854 120.6676 -206120.0054 17475.8902 0.0000 0.0000 34329.6822 -149354.5045 299.8097 -183684.1867 -149257.5912 298.2985 -263.9575 -233.3063 557992.5016 -12.3513 -12.1195 PRESSURE: 2201400 -255.443 -115.6 57.622 -115.601 61.9445 59.3653 57.6224 59.3663 -190.143 GPRESSURE: 2201400 -244.478 -129.907 19.1263 -52.2375 72.3393 45.7384 109.709 74.1371 -109.664 PRESSAVG: 2201400 38.5161 -64.7066 0.312201 -64.7066 8.48385 0.321153 0.312142 0.321105 -95.2683 GPRESSAVG: 2201400 37.3469 -63.786 -0.267345 -66.1696 8.97031 -1.77441 0.890678 0.549157 -94.9036 TIMING: 2201400 CPU: 6381.34, 0.00288774/step Wall: 6381.34, 0.00288774/step, 2.24489 hours remaining, 209.832031 MB of memory in use. ENERGY: 2201400 754.0411 2155.8280 1966.6428 110.7934 -206362.0871 17796.8429 0.0000 0.0000 34266.3489 -149311.5901 299.2565 -183577.9390 -149221.9258 298.9560 -127.8807 -93.9342 557887.4026 -16.0894 -16.1955 PRESSURE: 2201600 202.912 -9.73136 218.519 -9.73137 -176.193 -136.77 218.52 -136.771 -349.783 GPRESSURE: 2201600 226.473 -35.3425 203.454 -47.4099 -125.369 -170.048 169.125 -66.2078 -323.705 PRESSAVG: 2201600 93.2085 -37.7999 78.0339 -37.8 -49.503 17.7678 78.0338 17.7678 -15.3129 GPRESSAVG: 2201600 93.9877 -38.0825 78.8819 -36.7309 -49.1165 19.3975 77.7555 16.8927 -16.3382 TIMING: 2201600 CPU: 6381.92, 0.00290185/step Wall: 6381.92, 0.00290185/step, 2.2557 hours remaining, 209.832031 MB of memory in use. ENERGY: 2201600 763.0179 2050.4672 1928.5791 114.9433 -205903.7292 17662.2809 0.0000 0.0000 34236.8327 -149147.6081 298.9988 -183384.4408 -149051.7195 299.1803 -107.6876 -74.2005 558805.2712 9.4642 9.5110 PRESSURE: 2201800 49.9396 36.5156 17.7345 36.5156 66.1257 75.5418 17.7339 75.5425 -219.306 GPRESSURE: 2201800 90.1518 18.8535 20.2448 29.5653 69.6703 19.4237 -9.22507 146.661 -171.854 PRESSAVG: 2201800 34.8289 11.0019 40.8297 11.0019 21.9801 27.4808 40.8297 27.4809 -83.2162 GPRESSAVG: 2201800 34.7255 10.9516 39.829 10.7929 21.5363 26.2723 41.0852 29.8222 -82.6055 TIMING: 2201800 CPU: 6382.5, 0.00289614/step Wall: 6382.5, 0.00289614/step, 2.2511 hours remaining, 209.832031 MB of memory in use. ENERGY: 2201800 761.7206 2169.7507 1925.3533 105.9810 -206021.4842 17685.8801 0.0000 0.0000 34164.3160 -149208.4824 298.3655 -183372.7984 -149113.1608 299.5886 -34.4136 -4.0106 557937.9680 -8.8024 -8.7812 PRESSURE: 2202000 -83.732 -69.2757 29.799 -69.2756 -220.769 95.2224 29.7995 95.2231 -74.2712 GPRESSURE: 2202000 -94.4706 -22.4028 -121.719 -79.3803 -134.852 145.336 78.606 -38.8115 -51.1509 PRESSAVG: 2202000 -12.3514 -7.89667 -32.1675 -7.89661 -4.52951 -32.0779 -32.1674 -32.0778 26.0278 GPRESSAVG: 2202000 -12.9112 -5.34494 -32.89 -10.8126 -3.58789 -30.8003 -33.2575 -33.9829 25.7106 TIMING: 2202000 CPU: 6383.08, 0.00290906/step Wall: 6383.08, 0.00290906/step, 2.26099 hours remaining, 209.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2202000 771.3603 2135.8309 1974.1862 106.0448 -206204.2039 17674.6442 0.0000 0.0000 34309.3338 -149232.8038 299.6319 -183542.1375 -149135.2549 299.0147 -126.2572 -93.4912 555824.2485 3.0490 3.0705 PRESSURE: 2202200 168.124 28.9592 -214.764 28.9599 236.091 -111.739 -214.764 -111.738 -269.312 GPRESSURE: 2202200 162.961 120.97 -138.813 -8.49404 226.834 -72.4247 -232.336 -72.8511 -180.167 PRESSAVG: 2202200 -5.21858 30.1246 -23.3279 30.1247 -32.2239 -62.7841 -23.3279 -62.7841 33.6203 GPRESSAVG: 2202200 -5.07288 27.8109 -22.3429 31.6491 -33.2546 -64.0859 -22.2082 -61.7918 34.4479 TIMING: 2202200 CPU: 6383.66, 0.002879/step Wall: 6383.66, 0.002879/step, 2.23746 hours remaining, 209.832031 MB of memory in use. ENERGY: 2202200 723.2682 2129.5711 1954.1408 114.6024 -206175.5187 17729.4082 0.0000 0.0000 34297.2164 -149227.3116 299.5261 -183524.5280 -149129.3663 299.8150 44.9675 69.8760 558223.4207 -1.2740 -1.2932 PRESSURE: 2202400 -20.713 124.118 -46.6398 124.119 240.599 -161.816 -46.6393 -161.816 292.76 GPRESSURE: 2202400 26.196 30.6255 -75.5298 122.353 258.341 -138.642 -62.0779 -209.082 338.712 PRESSAVG: 2202400 3.32811 -4.57392 -38.2938 -4.57378 2.23689 -20.3005 -38.2938 -20.3005 -36.2044 GPRESSAVG: 2202400 3.36278 -3.98986 -37.7777 -2.90876 3.00035 -19.4756 -39.1136 -23.0237 -36.4678 TIMING: 2202400 CPU: 6384.24, 0.00289207/step Wall: 6384.24, 0.00289207/step, 2.24746 hours remaining, 209.832031 MB of memory in use. ENERGY: 2202400 753.7499 2096.4232 1923.8925 114.1376 -206843.7780 18352.3651 0.0000 0.0000 34209.4816 -149393.7282 298.7599 -183603.2098 -149295.8680 299.3231 170.8820 207.7499 558873.4499 -10.2131 -10.0349 PRESSURE: 2202600 -352.422 75.9404 89.9004 75.9389 47.3163 116.878 89.8992 116.878 -250.87 GPRESSURE: 2202600 -240.341 -45.8901 89.1025 138.495 57.2738 146.204 73.4382 131.248 -263.233 PRESSAVG: 2202600 -42.2962 -30.1836 24.0011 -30.1836 41.9656 -17.9724 24.0012 -17.9724 1.92155 GPRESSAVG: 2202600 -41.428 -30.4858 23.0665 -29.7163 42.2623 -18.8025 23.8425 -14.907 0.3834 TIMING: 2202600 CPU: 6384.81, 0.00289643/step Wall: 6384.81, 0.00289643/step, 2.25069 hours remaining, 209.832031 MB of memory in use. ENERGY: 2202600 773.2170 2090.8935 1926.3387 109.3071 -206154.0756 17698.7504 0.0000 0.0000 34126.6026 -149428.9664 298.0361 -183555.5690 -149326.1480 298.6536 -185.3254 -148.7667 559511.6716 0.5303 0.4059 PRESSURE: 2202800 -16.9116 -54.9392 0.349256 -54.9381 124.039 22.5424 0.350235 22.5437 62.0155 GPRESSURE: 2202800 -5.41135 -17.1686 14.973 -50.0482 187.571 105.879 24.864 45.6548 83.4971 PRESSAVG: 2202800 31.6824 51.2853 8.47081 51.2852 -1.60107 -40.3393 8.4708 -40.3392 -54.2231 GPRESSAVG: 2202800 29.8245 51.0468 8.67958 49.92 -2.19535 -39.3745 9.84505 -40.4238 -51.8248 TIMING: 2202800 CPU: 6385.39, 0.00286238/step Wall: 6385.39, 0.00286238/step, 2.22407 hours remaining, 209.832031 MB of memory in use. ENERGY: 2202800 736.7206 2140.1016 1960.7169 105.7050 -206652.1362 18073.7520 0.0000 0.0000 34107.5094 -149527.6308 297.8694 -183635.1402 -149435.5454 298.0328 56.3809 88.5521 558334.7328 -8.0473 -8.0652 PRESSURE: 2203000 -33.1245 -62.6502 45.9703 -62.6503 -71.5788 27.5869 45.9712 27.586 -69.2644 GPRESSURE: 2203000 28.1966 -60.7463 80.506 -87.7688 -39.3674 80.8602 -36.0545 -41.3196 -66.4211 PRESSAVG: 2203000 -24.8646 -17.6085 -24.9636 -17.6085 54.7981 10.5188 -24.9635 10.5188 -28.0919 GPRESSAVG: 2203000 -23.5285 -17.0443 -21.9399 -16.5741 54.3543 11.0985 -26.2702 9.83128 -28.8553 TIMING: 2203000 CPU: 6385.96, 0.00287312/step Wall: 6385.96, 0.00287312/step, 2.23225 hours remaining, 209.832031 MB of memory in use. ENERGY: 2203000 730.1140 2105.3937 1949.2928 121.0953 -206322.7599 17848.1036 0.0000 0.0000 33924.6757 -149644.0847 296.2726 -183568.7604 -149544.0743 297.7760 -57.9892 -25.8640 557768.0923 0.6139 0.6568 PRESSURE: 2203200 86.5977 116.205 162.953 116.203 74.1706 -122.441 162.953 -122.441 87.5799 GPRESSURE: 2203200 142.521 33.6176 129.975 77.7095 97.92 -99.4372 197.331 -115.648 113.351 PRESSAVG: 2203200 5.45422 0.296858 -14.8666 0.29688 15.8487 -14.1321 -14.8666 -14.1323 0.884089 GPRESSAVG: 2203200 3.67452 -1.13449 -16.7355 -1.68199 16.0024 -13.3395 -14.7771 -15.2623 1.92962 TIMING: 2203200 CPU: 6386.53, 0.00286178/step Wall: 6386.53, 0.00286178/step, 2.22329 hours remaining, 209.832031 MB of memory in use. ENERGY: 2203200 762.0175 2045.5572 1970.2442 116.0484 -206512.7771 17931.5750 0.0000 0.0000 34189.3579 -149497.9768 298.5842 -183687.3347 -149404.2750 298.9219 82.7827 117.9305 556897.9743 7.3957 7.2022 PRESSURE: 2203400 148.13 -20.4414 14.1871 -20.4415 -102.766 43.2653 14.1859 43.2669 -2.73893 GPRESSURE: 2203400 161.102 50.1975 1.85475 -61.272 -65.7997 176.695 39.1561 -36.159 41.6655 PRESSAVG: 2203400 55.6742 -12.0216 51.025 -12.0216 -93.4398 28.1823 51.0249 28.1823 26.6455 GPRESSAVG: 2203400 57.3775 -11.3083 52.4577 -9.77551 -92.4942 26.5685 52.9288 28.4619 24.5533 TIMING: 2203400 CPU: 6387.11, 0.00285884/step Wall: 6387.11, 0.00285884/step, 2.22084 hours remaining, 209.832031 MB of memory in use. ENERGY: 2203400 746.2900 2098.6931 1966.1768 112.7740 -206871.7015 18064.5100 0.0000 0.0000 34302.4167 -149580.8411 299.5715 -183883.2577 -149487.2648 298.0208 14.2083 45.6558 557767.7880 -3.7067 -3.5211 PRESSURE: 2203600 -207.451 -9.14855 29.0047 -9.14957 -82.1558 17.8911 29.0039 17.8922 17.4777 GPRESSURE: 2203600 -236.14 -39.2696 -22.9235 33.2689 10.6542 97.6504 66.0163 -23.1135 57.7305 PRESSAVG: 2203600 3.83225 -31.1246 6.32265 -31.1246 -0.153853 12.0912 6.32269 12.0912 30.1087 GPRESSAVG: 2203600 3.63146 -29.4345 7.71673 -32.6859 -1.30775 12.2896 4.30287 13.4759 31.5283 TIMING: 2203600 CPU: 6387.68, 0.00286157/step Wall: 6387.68, 0.00286157/step, 2.22281 hours remaining, 209.832031 MB of memory in use. ENERGY: 2203600 746.1835 2042.9778 1973.2015 102.7118 -206272.1019 17727.1517 0.0000 0.0000 34227.5945 -149452.2812 298.9181 -183679.8757 -149352.5648 298.9126 -90.7097 -55.9184 558833.2951 11.2624 11.2840 PRESSURE: 2203800 144.959 -36.1009 19.9811 -36.1018 92.6111 18.1987 19.9813 18.1993 -191.987 GPRESSURE: 2203800 144.207 -143.41 -0.714853 -2.53358 140.612 27.2042 19.2841 63.4033 -135.153 PRESSAVG: 2203800 0.302411 -16.4615 10.926 -16.4615 -20.0311 47.0212 10.926 47.0213 53.7622 GPRESSAVG: 2203800 1.66211 -15.9842 10.0874 -15.6441 -20.9823 46.8545 10.5398 48.9189 53.7691 TIMING: 2203800 CPU: 6388.25, 0.0028646/step Wall: 6388.25, 0.0028646/step, 2.225 hours remaining, 210.074219 MB of memory in use. ENERGY: 2203800 717.4262 2095.5649 1964.5172 119.2625 -206463.0683 18017.6479 0.0000 0.0000 34151.6532 -149396.9965 298.2549 -183548.6496 -149304.1524 298.5318 15.1942 49.8884 559237.6638 11.3445 11.4830 PRESSURE: 2204000 -269.683 142.097 213.629 142.097 -307.129 -46.2196 213.628 -46.2181 -63.2055 GPRESSURE: 2204000 -216.008 82.9258 218.623 98.1322 -296.767 -87.9237 248.505 -52.1014 -21.1301 PRESSAVG: 2204000 -10.7502 22.6192 38.4687 22.6191 -18.3076 38.904 38.4688 38.904 45.409 GPRESSAVG: 2204000 -11.8525 20.0465 38.1442 20.8204 -16.5605 39.5553 38.6464 35.8839 44.5078 TIMING: 2204000 CPU: 6388.82, 0.00287019/step Wall: 6388.82, 0.00287019/step, 2.22918 hours remaining, 210.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2204000 762.3033 2057.7131 1933.1638 109.6958 -206310.9119 17784.0925 0.0000 0.0000 34213.2539 -149450.6896 298.7929 -183663.9435 -149349.0438 298.9084 -213.3391 -177.9682 558466.1983 5.4504 5.3649 PRESSURE: 2204200 -191.991 87.8291 -159.337 87.8295 -71.3593 -150.04 -159.336 -150.04 -176.95 GPRESSURE: 2204200 -167.61 111.339 -202.001 25.057 -79.695 -110.271 -129.404 -156.874 -88.0216 PRESSAVG: 2204200 -29.8771 25.0696 -10.7426 25.0696 -7.50586 -2.293 -10.7426 -2.29297 -10.938 GPRESSAVG: 2204200 -29.5777 26.7007 -9.79386 24.919 -8.13009 -1.34891 -9.33973 -1.50697 -11.2347 TIMING: 2204200 CPU: 6389.4, 0.00287255/step Wall: 6389.4, 0.00287255/step, 2.23085 hours remaining, 210.074219 MB of memory in use. ENERGY: 2204200 728.5966 2085.9117 1928.8902 110.5294 -206124.4460 17670.5177 0.0000 0.0000 33994.8922 -149605.1082 296.8858 -183600.0003 -149509.1516 298.5090 -146.7666 -111.7756 558509.4634 -16.1070 -16.3142 LDB: ============= START OF LOAD BALANCING ============== 6392.78 LDB: ============== END OF LOAD BALANCING =============== 6392.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6392.78 LDB: ============= START OF LOAD BALANCING ============== 6393.07 LDB: Largest compute 4820 load 0.024676 is 20.9% of average load 0.118022 LDB: Average compute 0.001736 is 1.5% of average load 0.118022 LDB: TIME 6393.07 LOAD: AVG 0.118022 MAX 0.177294 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.902 MB LDB: TIME 6393.07 LOAD: AVG 0.118022 MAX 0.177294 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 6393.07 LOAD: AVG 0.118022 MAX 0.177294 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6393.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6393.08 PRESSURE: 2204400 -142.831 -71.3766 -137.207 -71.3771 40.0824 -133.224 -137.207 -133.225 164.667 GPRESSURE: 2204400 -45.9189 -55.9345 -90.5818 -78.3414 48.8931 -126.789 -144.845 -134.018 166.973 PRESSAVG: 2204400 29.045 -8.77858 -3.09154 -8.77861 -13.0013 3.03104 -3.09152 3.03098 5.47604 GPRESSAVG: 2204400 29.3513 -6.75849 -5.35175 -8.22424 -12.8661 0.926522 -4.93995 3.42045 4.68623 TIMING: 2204400 CPU: 6389.98, 0.00291891/step Wall: 6389.98, 0.00291891/step, 2.2667 hours remaining, 208.886719 MB of memory in use. ENERGY: 2204400 713.8821 2090.7307 1958.0640 117.3471 -206249.3216 17749.7974 0.0000 0.0000 34260.5096 -149358.9907 299.2056 -183619.5003 -149260.5522 298.4686 20.6393 56.6491 557197.0383 7.1733 7.0571 PRESSURE: 2204600 -119.018 83.5566 88.2927 83.5563 -173.751 -31.0847 88.2925 -31.0859 -69.5704 GPRESSURE: 2204600 -56.4121 123.365 60.9176 25.7525 -87.3887 -73.1124 106.885 -78.7782 -134.817 PRESSAVG: 2204600 32.7839 -21.8 5.87392 -21.8 8.6758 -43.2598 5.87396 -43.2599 -8.38585 GPRESSAVG: 2204600 32.6791 -24.2403 3.87683 -19.669 8.32207 -41.4652 9.69369 -44.0338 -8.18184 TIMING: 2204600 CPU: 6390.56, 0.00286648/step Wall: 6390.56, 0.00286648/step, 2.22582 hours remaining, 208.972656 MB of memory in use. ENERGY: 2204600 746.0751 2110.3296 1939.1322 113.3793 -206169.5097 17554.9757 0.0000 0.0000 34246.4437 -149459.1740 299.0827 -183705.6177 -149366.9621 298.6963 -120.7800 -92.8727 556312.7478 11.0246 10.9398 PRESSURE: 2204800 -150.794 195.343 86.8833 195.342 -382.368 -68.9473 86.8829 -68.9457 -254.65 GPRESSURE: 2204800 -129.538 191.117 69.6513 156.273 -313.782 -71.4655 95.7288 -61.4311 -240.956 PRESSAVG: 2204800 33.9699 20.259 3.11229 20.259 -38.7462 -49.6419 3.11228 -49.6417 16.2086 GPRESSAVG: 2204800 33.5042 18.8557 5.4434 21.5053 -39.0577 -48.6775 -0.448933 -52.1316 16.6731 TIMING: 2204800 CPU: 6391.13, 0.00287751/step Wall: 6391.13, 0.00287751/step, 2.23422 hours remaining, 208.972656 MB of memory in use. ENERGY: 2204800 779.3270 2087.9609 1944.5955 110.1085 -205938.0145 17401.9981 0.0000 0.0000 34342.0618 -149271.9627 299.9178 -183614.0245 -149183.4599 299.3800 -262.6037 -228.0917 556399.9782 3.8107 3.7065 PRESSURE: 2205000 31.5163 -32.8753 97.126 -32.876 43.106 11.0131 97.1261 11.0128 -16.087 GPRESSURE: 2205000 40.9059 -50.957 134.604 -102.021 114.619 6.25157 98.3067 103.165 2.15359 PRESSAVG: 2205000 -16.4826 49.6981 2.00496 49.6982 -2.63607 -26.9308 2.00493 -26.9309 -2.76119 GPRESSAVG: 2205000 -17.2753 53.2036 0.0120277 45.7594 -1.476 -28.9483 3.85477 -24.5816 -3.51527 TIMING: 2205000 CPU: 6391.71, 0.00287198/step Wall: 6391.71, 0.00287198/step, 2.22977 hours remaining, 208.972656 MB of memory in use. ENERGY: 2205000 722.9729 2071.4211 1959.5504 129.4148 -205983.3669 17649.0799 0.0000 0.0000 34173.2300 -149277.6978 298.4433 -183450.9277 -149188.5483 299.0442 19.5118 52.5597 557126.4716 -7.2933 -7.4222 PRESSURE: 2205200 -114.624 61.9771 -44.8618 61.9779 -9.01956 -166.209 -44.8612 -166.207 -64.1056 GPRESSURE: 2205200 -73.7205 51.3981 -59.4135 45.5079 -34.2792 -154.026 -56.4379 -199.713 13.1953 PRESSAVG: 2205200 -50.1621 22.9415 -1.88416 22.9415 35.8653 -44.8597 -1.88418 -44.8596 16.261 GPRESSAVG: 2205200 -49.4955 20.9002 -0.714353 25.9034 35.2467 -43.7031 -1.42806 -45.6134 16.2354 TIMING: 2205200 CPU: 6392.28, 0.00287758/step Wall: 6392.28, 0.00287758/step, 2.23396 hours remaining, 208.972656 MB of memory in use. ENERGY: 2205200 771.7052 2034.2541 1928.6882 109.0701 -205818.5902 17520.9616 0.0000 0.0000 34388.1042 -149065.8068 300.3199 -183453.9109 -148966.7622 299.3345 -62.5832 -31.6015 557088.5049 0.6547 0.6622 PRESSURE: 2205400 102.516 100.481 -15.498 100.481 80.8573 22.2894 -15.4981 22.2884 345.668 GPRESSURE: 2205400 136.072 173.994 -38.8675 -21.382 137.122 103.713 41.1266 -103.083 360.929 PRESSAVG: 2205400 46.9477 -3.68646 -7.16884 -3.68647 -30.3277 -19.4018 -7.16885 -19.4019 -31.1818 GPRESSAVG: 2205400 45.2435 -3.3362 -5.7278 -4.63059 -30.4134 -20.918 -6.95698 -17.9569 -29.4093 TIMING: 2205400 CPU: 6392.86, 0.00287944/step Wall: 6392.86, 0.00287944/step, 2.23525 hours remaining, 208.972656 MB of memory in use. ENERGY: 2205400 734.8684 2141.6173 1945.0527 129.8567 -206300.3545 17887.0422 0.0000 0.0000 34256.0608 -149205.8565 299.1667 -183461.9173 -149105.1683 299.5089 176.3472 211.3741 556473.8667 -4.8539 -4.8597 PRESSURE: 2205600 -61.8817 -257.681 -126.816 -257.682 -12.038 124.376 -126.816 124.378 -206.801 GPRESSURE: 2205600 -19.8343 -293.13 -116.189 -196.252 1.37969 29.7764 -112.683 100.752 -175.566 PRESSAVG: 2205600 -50.8353 -52.0721 -28.5493 -52.0721 56.889 13.7262 -28.5494 13.7263 32.7461 GPRESSAVG: 2205600 -48.4898 -53.5579 -28.4543 -51.6445 55.7873 14.9714 -32.0499 13.1884 31.6392 TIMING: 2205600 CPU: 6393.43, 0.00287921/step Wall: 6393.43, 0.00287921/step, 2.2349 hours remaining, 208.972656 MB of memory in use. ENERGY: 2205600 743.2096 2073.3198 1949.7272 127.5564 -205778.5401 17516.3186 0.0000 0.0000 34251.2459 -149117.1625 299.1246 -183368.4084 -149019.6827 299.0152 -93.5735 -64.6735 556922.4317 12.9333 12.9789 PRESSURE: 2205800 -116.118 11.9773 -64.2094 11.9774 -117.307 271.334 -64.21 271.335 -102.7 GPRESSURE: 2205800 -87.9273 57.4698 -55.8863 -15.7394 -97.6285 272.768 -104.417 193.701 -50.5458 PRESSAVG: 2205800 -47.3659 -55.0233 -47.3941 -55.0234 14.6001 -7.37387 -47.3941 -7.37382 8.44311 GPRESSAVG: 2205800 -47.2672 -54.843 -45.7375 -56.5861 15.6914 -9.14201 -48.2121 -7.28216 7.40207 TIMING: 2205800 CPU: 6394.01, 0.00288067/step Wall: 6394.01, 0.00288067/step, 2.23588 hours remaining, 208.972656 MB of memory in use. ENERGY: 2205800 769.7509 2107.0890 1928.5188 105.9194 -206148.7364 17779.7195 0.0000 0.0000 34319.9248 -149137.8140 299.7244 -183457.7387 -149043.2031 299.3649 -112.0419 -78.7005 558223.2491 -8.1076 -8.0579 PRESSURE: 2206000 -171.066 -231.827 185.684 -231.828 -113.362 2.38687 185.685 2.38892 169.265 GPRESSURE: 2206000 -149.211 -165.718 255.725 -223.895 -89.2799 31.5062 184.006 -3.03412 217.756 PRESSAVG: 2206000 -41.2712 1.92966 34.7099 1.92954 -31.9033 -14.9052 34.7099 -14.9051 51.0373 GPRESSAVG: 2206000 -42.9208 5.09595 32.3456 0.520146 -31.4948 -13.9182 37.5224 -16.4298 51.4516 TIMING: 2206000 CPU: 6394.58, 0.00286956/step Wall: 6394.58, 0.00286956/step, 2.22709 hours remaining, 208.972656 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: 2206000 716.2590 2087.0778 1953.6813 100.6854 -205963.3738 17596.6031 0.0000 0.0000 34479.8501 -149029.2171 301.1211 -183509.0672 -148932.5227 299.1426 -38.3878 -6.9116 557753.8402 -7.3791 -7.6547 PRESSURE: 2206200 -348.756 -86.0303 -108.616 -86.0284 -179.274 -61.1326 -108.615 -61.1331 -257.395 GPRESSURE: 2206200 -289.964 -109 -51.5611 -171.29 -183.674 11.0224 -198.964 -67.3346 -210.949 PRESSAVG: 2206200 -51.878 -27.2609 -14.7477 -27.261 16.9468 20.0773 -14.7477 20.0772 6.7783 GPRESSAVG: 2206200 -51.2354 -29.2667 -13.6441 -26.6633 16.2068 20.683 -16.7333 20.016 6.83765 TIMING: 2206200 CPU: 6395.16, 0.00287199/step Wall: 6395.16, 0.00287199/step, 2.22883 hours remaining, 208.972656 MB of memory in use. ENERGY: 2206200 738.2949 2141.6341 1972.1153 111.9640 -205787.5058 17528.2032 0.0000 0.0000 34328.4819 -148966.8123 299.7992 -183295.2943 -148869.8256 300.1509 -261.8085 -228.1958 559182.2870 -9.3843 -9.3970 PRESSURE: 2206400 -81.8935 -22.1563 -44.5043 -22.1556 -191.891 -143.044 -44.5048 -143.042 174.913 GPRESSURE: 2206400 -52.2057 -85.2381 24.2928 -23.9604 -151.978 -97.2482 -169.501 -214.131 202.427 PRESSAVG: 2206400 -65.6351 6.77154 -34.2235 6.77155 14.8251 -24.1838 -34.2236 -24.1839 50.32 GPRESSAVG: 2206400 -64.8916 5.02339 -35.809 9.80156 14.7731 -25.0237 -33.9811 -20.8608 49.4683 TIMING: 2206400 CPU: 6395.74, 0.00289435/step Wall: 6395.74, 0.00289435/step, 2.24602 hours remaining, 208.972656 MB of memory in use. ENERGY: 2206400 715.2553 2101.9591 1936.3556 120.3080 -205527.2628 17694.3739 0.0000 0.0000 34070.5566 -148888.4543 297.5466 -182959.0109 -148789.9474 299.7403 -32.9570 -0.5854 558493.8400 -0.1633 -0.2167 PRESSURE: 2206600 -74.7824 -20.5177 -34.836 -20.5177 -397.927 -42.8439 -34.836 -42.8441 -82.2625 GPRESSURE: 2206600 -74.7932 7.67506 -1.52448 24.3041 -304.601 -131.719 58.2902 -7.56477 -72.793 PRESSAVG: 2206600 116.553 -59.6347 -47.3064 -59.6347 -72.1711 -3.14873 -47.3064 -3.14874 7.29286 GPRESSAVG: 2206600 116.247 -56.7698 -47.8821 -62.0741 -70.3581 -4.35525 -45.5776 -5.04851 5.81954 TIMING: 2206600 CPU: 6396.32, 0.0028912/step Wall: 6396.32, 0.0028912/step, 2.24341 hours remaining, 208.972656 MB of memory in use. ENERGY: 2206600 738.6863 2055.1950 1944.6272 127.7608 -205788.8798 17586.6753 0.0000 0.0000 34289.1485 -149046.7868 299.4557 -183335.9352 -148946.8747 299.2685 -184.9907 -150.7289 557609.2336 17.2249 17.2363 PRESSURE: 2206800 -7.27261 1.33372 -28.127 1.33252 36.7591 12.5406 -28.1269 12.5409 -70.8349 GPRESSURE: 2206800 -4.67555 29.7089 -42.5887 -6.80149 73.2694 44.4247 -15.7622 -47.0127 -9.40173 PRESSAVG: 2206800 -13.3315 -39.8672 -9.83508 -39.8672 14.6405 -38.6518 -9.835 -38.6518 25.7811 GPRESSAVG: 2206800 -14.0424 -40.6876 -8.24516 -40.5991 14.2208 -36.8697 -10.2573 -37.0066 27.1525 TIMING: 2206800 CPU: 6396.89, 0.00287904/step Wall: 6396.89, 0.00287904/step, 2.23382 hours remaining, 208.972656 MB of memory in use. ENERGY: 2206800 722.8615 2038.6001 1948.2165 105.5617 -206341.9685 17982.2609 0.0000 0.0000 34370.0557 -149174.4123 300.1622 -183544.4680 -149076.1082 299.4376 -13.7828 19.7307 557802.7883 9.0300 9.1103 PRESSURE: 2207000 27.0374 -90.5329 -23.9702 -90.5316 208.967 168.008 -23.9702 168.009 310.213 GPRESSURE: 2207000 28.7697 -88.9216 -41.5524 -117.202 287.475 188.159 3.71701 150.068 328.363 PRESSAVG: 2207000 -29.0456 -15.0937 -28.6698 -15.0937 38.4674 40.1002 -28.6697 40.1002 -14.1748 GPRESSAVG: 2207000 -27.9848 -14.8502 -27.0645 -13.9474 37.6355 39.2252 -30.2148 38.7951 -14.1575 TIMING: 2207000 CPU: 6397.47, 0.00289802/step Wall: 6397.47, 0.00289802/step, 2.24838 hours remaining, 208.972656 MB of memory in use. ENERGY: 2207000 705.6946 2099.9456 1930.1091 118.1740 -206501.7277 18087.9069 0.0000 0.0000 34388.3706 -149171.5270 300.3222 -183559.8975 -149078.6516 299.9063 182.0725 214.8691 557641.6643 -1.5843 -1.5022 PRESSURE: 2207200 49.3956 -83.4071 15.5886 -83.4063 -78.8828 -279.334 15.5889 -279.334 46.4441 GPRESSURE: 2207200 145.633 -89.3174 18.0688 -58.0023 -69.2495 -284.197 58.2432 -213.719 40.9045 PRESSAVG: 2207200 -35.4159 -79.959 -6.07511 -79.9589 34.7931 1.82813 -6.07512 1.82815 27.5097 GPRESSAVG: 2207200 -35.1594 -81.465 -8.90856 -78.0753 35.2241 5.12944 -4.56321 1.94432 27.3287 TIMING: 2207200 CPU: 6398.05, 0.00291528/step Wall: 6398.05, 0.00291528/step, 2.26161 hours remaining, 208.972656 MB of memory in use. ENERGY: 2207200 734.1805 2024.4152 1948.4684 96.3761 -206042.8099 17858.2749 0.0000 0.0000 34251.2581 -149129.8367 299.1248 -183381.0948 -149029.4684 299.0534 5.6523 39.0959 557967.2064 8.9623 9.1312 PRESSURE: 2207400 -71.0442 -10.0579 -37.4906 -10.057 32.1017 -69.342 -37.4904 -69.3424 -120.129 GPRESSURE: 2207400 -88.0213 -147.257 0.379206 49.2071 98.6511 -41.2571 -36.5256 -113.412 -70.2692 PRESSAVG: 2207400 -83.9367 34.1958 27.0441 34.1957 77.706 -21.0319 27.0439 -21.032 16.0036 GPRESSAVG: 2207400 -83.5981 35.2756 28.1544 33.872 78.1106 -22.5971 26.4913 -22.044 15.4516 TIMING: 2207400 CPU: 6398.63, 0.00289047/step Wall: 6398.63, 0.00289047/step, 2.2422 hours remaining, 208.972656 MB of memory in use. ENERGY: 2207400 771.9878 2069.0887 1957.4426 115.2272 -205902.2021 17657.7920 0.0000 0.0000 34247.1993 -149083.4645 299.0893 -183330.6639 -148996.9508 299.1157 -53.0237 -19.8798 557995.7780 3.2576 3.3214 PRESSURE: 2207600 -289.143 41.4265 -55.237 41.4253 -102.181 40.6469 -55.2374 40.6459 19.1838 GPRESSURE: 2207600 -243.409 60.6901 -114.235 70.9596 -94.732 90.1588 -97.7694 8.31187 60.6259 PRESSAVG: 2207600 -57.8053 6.69221 20.9543 6.69214 53.3237 -22.9685 20.9543 -22.9685 24.3392 GPRESSAVG: 2207600 -57.3111 6.34576 18.5167 4.91242 52.6037 -21.6891 22.4604 -23.4315 24.2478 TIMING: 2207600 CPU: 6399.21, 0.00288946/step Wall: 6399.21, 0.00288946/step, 2.24126 hours remaining, 208.972656 MB of memory in use. ENERGY: 2207600 760.5552 2064.1375 1925.5676 111.9439 -206044.3778 17600.0402 0.0000 0.0000 34351.6236 -149230.5097 300.0013 -183582.1333 -149129.6690 299.3633 -124.0468 -92.5049 556911.1420 6.6192 6.5135 PRESSURE: 2207800 -106.613 68.8668 -56.0969 68.8683 -57.4677 59.5554 -56.0979 59.5543 -264.383 GPRESSURE: 2207800 -93.1959 109.513 -27.2166 87.659 -20.2 59.1092 33.6278 13.443 -219.198 PRESSAVG: 2207800 8.54641 24.006 -12.1131 24.0061 -35.3645 -11.3907 -12.1132 -11.3907 15.2761 GPRESSAVG: 2207800 7.60374 23.955 -8.121 22.9385 -34.5528 -12.0572 -14.4012 -11.8993 15.8487 TIMING: 2207800 CPU: 6399.79, 0.00288225/step Wall: 6399.79, 0.00288225/step, 2.23551 hours remaining, 208.972656 MB of memory in use. ENERGY: 2207800 720.8672 2086.6813 1948.4007 129.1340 -205900.5394 17624.7901 0.0000 0.0000 34196.8544 -149193.8116 298.6496 -183390.6660 -149094.9424 299.3339 -142.8212 -110.8647 559076.0621 -3.8473 -3.7001 PRESSURE: 2208000 129.738 -22.5856 -104.514 -22.5849 179.25 22.5251 -104.514 22.5243 -92.8428 GPRESSURE: 2208000 162.82 -7.36812 -138.195 -19.4827 189.674 92.1797 -41.4393 -58.3291 -42.4881 PRESSAVG: 2208000 -14.3072 -59.5772 -14.4823 -59.5772 -3.09759 -60.1474 -14.4822 -60.1475 -14.7359 GPRESSAVG: 2208000 -14.2258 -59.4791 -16.5215 -58.5952 -3.93709 -60.4147 -14.1612 -59.4861 -13.7187 TIMING: 2208000 CPU: 6400.36, 0.00287544/step Wall: 6400.36, 0.00287544/step, 2.23006 hours remaining, 208.972656 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: 2208000 743.5868 2050.3852 1949.5478 108.8807 -206313.3449 17938.3649 0.0000 0.0000 34199.0246 -149323.5549 298.6686 -183522.5795 -149221.7357 298.6962 72.0484 103.3354 556834.3537 -10.7136 -10.6272 PRESSURE: 2208200 130.615 28.0178 6.57375 28.0178 316.723 56.637 6.57424 56.6365 -50.4281 GPRESSURE: 2208200 137.149 50.9649 -10.1374 -31.2888 331.752 27.6683 50.3495 -5.41151 36.3039 PRESSAVG: 2208200 -49.6549 -2.89863 36.3127 -2.89869 55.9425 -38.7903 36.3126 -38.7904 -37.6438 GPRESSAVG: 2208200 -48.747 -1.25777 38.4235 -3.74047 55.6989 -39.7596 36.4376 -38.2408 -38.0384 TIMING: 2208200 CPU: 6400.94, 0.00287395/step Wall: 6400.94, 0.00287395/step, 2.22875 hours remaining, 208.972656 MB of memory in use. ENERGY: 2208200 716.5600 2057.9944 1938.9457 109.7661 -206764.6352 17952.9922 0.0000 0.0000 34509.6464 -149478.7303 301.3813 -183988.3768 -149379.7955 298.0891 132.3033 168.4015 557559.6073 -10.4521 -10.3622 LDB: ============= START OF LOAD BALANCING ============== 6404.32 LDB: ============== END OF LOAD BALANCING =============== 6404.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6404.32 LDB: ============= START OF LOAD BALANCING ============== 6404.61 LDB: Largest compute 4820 load 0.026579 is 22.5% of average load 0.117946 LDB: Average compute 0.001743 is 1.5% of average load 0.117946 LDB: TIME 6404.61 LOAD: AVG 0.117946 MAX 0.180507 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.566 MB LDB: TIME 6404.61 LOAD: AVG 0.117946 MAX 0.180507 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: TIME 6404.61 LOAD: AVG 0.117946 MAX 0.180507 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6404.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6404.62 PRESSURE: 2208400 80.5891 -124.723 -91.0997 -124.723 87.4087 -15.8045 -91.1 -15.8038 198.625 GPRESSURE: 2208400 87.8234 -55.9452 -59.8487 -6.2144 100.225 31.4481 -120.228 -91.374 280.435 PRESSAVG: 2208400 12.1345 -19.4152 -23.1075 -19.4152 37.1775 2.14274 -23.1075 2.14265 -30.2622 GPRESSAVG: 2208400 12.302 -18.9242 -26.3103 -19.5943 36.5244 3.59993 -23.149 2.07247 -29.6653 TIMING: 2208400 CPU: 6401.52, 0.00293622/step Wall: 6401.52, 0.00293622/step, 2.27688 hours remaining, 209.101562 MB of memory in use. ENERGY: 2208400 684.8430 2097.0008 1947.7658 107.6106 -206225.7886 17844.9234 0.0000 0.0000 34234.2140 -149309.4311 298.9759 -183543.6451 -149205.1620 298.3637 122.2077 156.1612 557722.2232 6.3499 6.3870 PRESSURE: 2208600 -228.001 119.197 65.0244 119.196 248.397 -137.503 65.0241 -137.504 177.094 GPRESSURE: 2208600 -194.511 35.9366 64.6631 160.424 295.619 -182.169 55.2376 -122.174 191.861 PRESSAVG: 2208600 -34.0058 17.3919 65.2231 17.3919 75.811 -21.5818 65.2231 -21.5817 -27.1644 GPRESSAVG: 2208600 -34.4247 16.3404 65.7167 16.5997 75.7131 -23.8774 66.3839 -19.0274 -26.1257 TIMING: 2208600 CPU: 6402.1, 0.00290013/step Wall: 6402.1, 0.00290013/step, 2.24873 hours remaining, 209.304688 MB of memory in use. ENERGY: 2208600 733.9662 2050.5051 1935.1655 100.3104 -206543.3080 18028.5619 0.0000 0.0000 34283.9488 -149410.8501 299.4103 -183694.7989 -149306.8477 298.6327 65.8300 97.6564 558654.9528 4.8803 5.0542 PRESSURE: 2208800 -10.2012 -95.9399 119.555 -95.9391 212.612 17.8272 119.556 17.8271 -18.3642 GPRESSURE: 2208800 42.7148 -32.8594 144.501 -133.686 211.691 4.06458 -17.8121 -39.7454 28.9593 PRESSAVG: 2208800 -46.9035 -2.47458 -50.9341 -2.47447 82.2773 11.7132 -50.9341 11.7132 -18.5839 GPRESSAVG: 2208800 -46.615 -3.28283 -50.9823 -1.70806 82.5363 10.0761 -50.707 9.34774 -19.4131 TIMING: 2208800 CPU: 6402.69, 0.00291023/step Wall: 6402.69, 0.00291023/step, 2.2564 hours remaining, 209.507812 MB of memory in use. ENERGY: 2208800 727.0747 2070.3436 1941.0775 108.9887 -206440.5176 17958.0577 0.0000 0.0000 34198.5605 -149436.4149 298.6645 -183634.9753 -149331.2197 298.0183 61.3488 94.4549 558576.5660 5.5966 5.5027 PRESSURE: 2209000 -28.8848 -52.4523 160.912 -52.4528 -186.442 67.8935 160.912 67.8939 -44.7575 GPRESSURE: 2209000 34.4002 2.35745 179.734 -77.2733 -201.307 26.4364 145.81 1.2086 2.77274 PRESSAVG: 2209000 -20.615 -25.9994 51.0956 -25.9994 16.415 -7.41486 51.0957 -7.41491 -6.62209 GPRESSAVG: 2209000 -21.2919 -25.8638 52.2377 -25.5257 17.1078 -6.04478 51.3198 -7.81493 -6.59457 TIMING: 2209000 CPU: 6403.27, 0.00290142/step Wall: 6403.27, 0.00290142/step, 2.24941 hours remaining, 209.507812 MB of memory in use. ENERGY: 2209000 757.5814 2100.9731 1954.1613 112.6926 -206327.8076 17861.1822 0.0000 0.0000 33908.8980 -149632.3190 296.1348 -183541.2170 -149530.5203 298.3043 -86.6947 -54.7115 559103.8585 -3.6073 -3.5929 PRESSURE: 2209200 -93.6706 172.441 62.9521 172.439 -46.9134 62.2917 62.9524 62.2892 -76.6816 GPRESSURE: 2209200 26.5672 210.047 49.0706 46.0553 -24.4422 70.9615 103.758 98.8723 -118.672 PRESSAVG: 2209200 3.46277 32.9972 -27.8147 32.997 -16.3017 -10.6917 -27.8147 -10.6917 19.3579 GPRESSAVG: 2209200 4.43024 31.4322 -26.8804 31.7008 -16.1279 -10.5617 -27.8941 -8.73651 18.4052 TIMING: 2209200 CPU: 6403.84, 0.00288387/step Wall: 6403.84, 0.00288387/step, 2.23564 hours remaining, 209.507812 MB of memory in use. ENERGY: 2209200 740.4986 2036.0690 1971.2248 126.3720 -206455.8074 17746.8457 0.0000 0.0000 34335.1580 -149499.6393 299.8575 -183834.7972 -149402.0419 297.8219 -72.4219 -38.8489 558017.3818 2.1730 2.2359 PRESSURE: 2209400 -75.2925 -4.54495 -37.9778 -4.54382 -12.4965 23.8849 -37.9776 23.8835 52.3187 GPRESSURE: 2209400 -17.1729 -10.2841 -40.9971 -39.4113 -5.72743 4.78173 -73.6489 -63.1252 86.6526 PRESSAVG: 2209400 21.4163 34.8503 13.1006 34.8503 -30.5228 -28.7004 13.1007 -28.7005 12.6214 GPRESSAVG: 2209400 21.4221 36.7784 12.1882 35.9418 -31.2934 -27.8045 12.8347 -30.0179 13.7956 TIMING: 2209400 CPU: 6404.42, 0.00290603/step Wall: 6404.42, 0.00290603/step, 2.25266 hours remaining, 209.507812 MB of memory in use. ENERGY: 2209400 787.4174 2115.7384 1948.7381 110.8157 -206557.3342 17981.4368 0.0000 0.0000 34048.3962 -149564.7916 297.3531 -183613.1878 -149472.4164 297.9602 -11.8234 21.2508 557153.9034 1.1717 1.3081 PRESSURE: 2209600 -43.1122 28.61 91.2036 28.6103 120.504 -4.95834 91.204 -4.95933 -25.7294 GPRESSURE: 2209600 -25.6695 30.5855 102.12 34.1209 138.59 -16.4125 66.6746 -38.0401 34.6646 PRESSAVG: 2209600 -51.49 62.1334 -29.6048 62.1335 33.3069 -34.1482 -29.6048 -34.1483 11.7327 GPRESSAVG: 2209600 -51.7802 60.7831 -29.7586 62.8948 33.6905 -32.6358 -28.0104 -36.0635 11.5774 TIMING: 2209600 CPU: 6405, 0.00288125/step Wall: 6405, 0.00288125/step, 2.23329 hours remaining, 209.507812 MB of memory in use. ENERGY: 2209600 721.7786 2079.4901 1943.5761 105.4356 -206339.0428 17824.6515 0.0000 0.0000 34095.7888 -149568.3222 297.7670 -183664.1110 -149476.0774 298.5000 17.2207 49.1952 557242.4401 -2.1501 -2.1708 PRESSURE: 2209800 106.188 4.18361 -71.366 4.18284 275.274 -56.0146 -71.3667 -56.015 61.3934 GPRESSURE: 2209800 131.3 68.3197 -27.2557 -30.2438 289.543 3.41595 -71.4523 -84.3612 130.58 PRESSAVG: 2209800 -62.0027 -26.9351 -25.3894 -26.9351 66.2587 51.3499 -25.3894 51.3498 -17.1718 GPRESSAVG: 2209800 -62.3581 -24.884 -26.7086 -30.3743 67.0586 48.8593 -26.0305 53.8741 -17.6256 TIMING: 2209800 CPU: 6405.58, 0.00288154/step Wall: 6405.58, 0.00288154/step, 2.23335 hours remaining, 209.507812 MB of memory in use. ENERGY: 2209800 734.3746 2094.0590 1937.0831 117.4603 -206474.8208 17897.7605 0.0000 0.0000 34160.9546 -149533.1286 298.3361 -183694.0832 -149434.3906 297.6706 147.6185 183.8080 554950.1837 -4.3053 -4.3084 PRESSURE: 2210000 64.6696 48.3212 15.797 48.3229 280.745 -62.3989 15.797 -62.3982 -9.98975 GPRESSURE: 2210000 90.8044 69.1405 9.80836 60.4607 291.707 -54.2129 98.252 -106.771 54.3762 PRESSAVG: 2210000 18.6874 -21.2558 53.6183 -21.2557 -14.4394 16.2542 53.6182 16.2541 0.523582 GPRESSAVG: 2210000 18.5678 -22.2698 53.9582 -18.6085 -14.9296 16.5829 55.2081 15.2311 0.460034 TIMING: 2210000 CPU: 6406.16, 0.00290041/step Wall: 6406.16, 0.00290041/step, 2.24782 hours remaining, 209.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2210000 737.3767 2039.5978 1953.4337 113.6490 -206469.4435 17926.6769 0.0000 0.0000 34065.5130 -149633.1964 297.5026 -183698.7094 -149541.1642 297.7885 111.8084 145.6293 554058.8452 1.5905 1.3661 PRESSURE: 2210200 -218.943 40.1041 43.4425 40.1025 -137.457 9.98488 43.4431 9.98674 -257.757 GPRESSURE: 2210200 -196.54 8.18121 53.9896 -34.069 -115.755 29.54 26.0205 28.3545 -214.451 PRESSAVG: 2210200 8.25662 -17.8676 -5.85549 -17.8675 83.0543 60.6716 -5.85545 60.6715 -46.9327 GPRESSAVG: 2210200 7.60554 -16.286 -6.32258 -18.1099 83.3073 60.0736 -6.29477 61.5887 -46.7862 TIMING: 2210200 CPU: 6406.73, 0.0028882/step Wall: 6406.73, 0.0028882/step, 2.23819 hours remaining, 209.507812 MB of memory in use. ENERGY: 2210200 767.5863 2092.8552 1938.4027 113.5296 -206314.2092 17638.8186 0.0000 0.0000 33979.2123 -149783.8045 296.7489 -183763.0168 -149694.4724 297.4835 -204.7189 -175.5821 555516.6944 14.7928 14.7089 PRESSURE: 2210400 -52.0417 107.375 19.9378 107.374 -320.27 178.913 19.9372 178.912 -149.951 GPRESSURE: 2210400 -25.9832 163.579 18.9449 134.446 -214.684 174.581 -59.0239 245.136 -175.164 PRESSAVG: 2210400 -40.757 44.3401 -30.6507 44.3401 44.3719 40.7074 -30.6506 40.7073 -28.0536 GPRESSAVG: 2210400 -40.3035 42.8295 -27.9438 44.6154 43.7171 43.4536 -33.1167 38.1261 -27.7288 TIMING: 2210400 CPU: 6407.31, 0.00288049/step Wall: 6407.31, 0.00288049/step, 2.23206 hours remaining, 209.507812 MB of memory in use. ENERGY: 2210400 733.5678 2085.2670 1966.0122 121.5929 -205952.9979 17404.7933 0.0000 0.0000 33958.2889 -149683.4757 296.5662 -183641.7647 -149583.8656 298.0434 -174.0874 -138.6103 557214.8162 -8.1462 -8.1050 PRESSURE: 2210600 93.75 102.101 -32.3871 102.099 -58.7479 -74.4631 -32.3866 -74.4627 -219.796 GPRESSURE: 2210600 140.55 74.6843 -45.114 112.687 -25.2295 -57.6254 -22.946 -110.875 -204.078 PRESSAVG: 2210600 42.7025 23.3134 109.78 23.3134 63.5294 -23.426 109.78 -23.4259 -41.7132 GPRESSAVG: 2210600 43.3994 21.3567 109.404 24.9355 63.5341 -26.4945 111.176 -22.8406 -42.5216 TIMING: 2210600 CPU: 6407.88, 0.00286444/step Wall: 6407.88, 0.00286444/step, 2.21946 hours remaining, 209.507812 MB of memory in use. ENERGY: 2210600 763.5601 2019.6909 1961.3518 130.8353 -206515.5424 17755.9519 0.0000 0.0000 34075.2365 -149808.9160 297.5875 -183884.1525 -149703.9837 298.3963 -61.5981 -29.5859 556899.5368 21.5062 21.4706 PRESSURE: 2210800 -76.1404 40.6341 143.058 40.6344 274.252 -136.337 143.058 -136.336 -184.259 GPRESSURE: 2210800 20.0337 129.491 131.158 12.4325 249.052 -50.6992 226.355 -219.17 -165.259 PRESSAVG: 2210800 -19.6587 12.1027 22.499 12.1027 -23.1359 17.8096 22.4991 17.8095 -38.3874 GPRESSAVG: 2210800 -19.9636 15.4102 20.1174 9.48741 -23.3028 18.073 23.7376 18.308 -37.8929 TIMING: 2210800 CPU: 6408.46, 0.00288926/step Wall: 6408.46, 0.00288926/step, 2.23854 hours remaining, 209.507812 MB of memory in use. ENERGY: 2210800 737.2170 2037.7747 1946.0963 113.6849 -206531.7908 17883.7500 0.0000 0.0000 34110.8483 -149702.4197 297.8985 -183813.2680 -149601.4181 297.0320 4.6177 34.6089 557319.1959 -27.0607 -27.0531 PRESSURE: 2211000 110.528 51.2686 -58.1716 51.2682 -79.0881 3.074 -58.1718 3.07382 140.81 GPRESSURE: 2211000 124.454 61.0279 -0.355554 16.9673 -40.2203 -73.6282 -46.7481 47.6665 186.897 PRESSAVG: 2211000 49.0028 23.049 33.8159 23.049 13.4183 53.7844 33.8158 53.7844 -39.1543 GPRESSAVG: 2211000 48.877 21.7194 36.6501 24.9396 14.4064 54.961 32.9524 53.7824 -40.0006 TIMING: 2211000 CPU: 6409.04, 0.00289841/step Wall: 6409.04, 0.00289841/step, 2.24546 hours remaining, 209.507812 MB of memory in use. ENERGY: 2211000 782.4326 2103.3005 1956.1074 110.9150 -206435.5278 17869.6442 0.0000 0.0000 34083.2843 -149529.8438 297.6578 -183613.1281 -149440.2704 297.7854 57.4166 90.3768 557426.7725 7.7556 7.7609 PRESSURE: 2211200 -3.70428 -70.5173 -34.0348 -70.5175 -227.757 -11.2966 -34.036 -11.2948 -186.086 GPRESSURE: 2211200 57.1746 -63.7847 31.4858 -103.964 -179.249 42.3299 -130.468 -59.324 -180.642 PRESSAVG: 2211200 -6.88471 -10.3343 -49.9416 -10.3343 -3.75316 28.5512 -49.9415 28.5512 52.5229 GPRESSAVG: 2211200 -7.52756 -11.1705 -48.4791 -13.8163 -3.01173 28.7951 -52.7617 29.2134 53.029 TIMING: 2211200 CPU: 6409.62, 0.00287875/step Wall: 6409.62, 0.00287875/step, 2.23008 hours remaining, 209.507812 MB of memory in use. ENERGY: 2211200 763.8747 2031.3039 1962.8435 125.7162 -206384.9723 17816.0877 0.0000 0.0000 34189.4994 -149495.6469 298.5854 -183685.1463 -149403.4453 298.1830 -139.1822 -100.9054 557316.1236 13.9617 14.1632 PRESSURE: 2211400 180.571 48.1282 25.5666 48.129 229.671 55.5402 25.5661 55.5401 -143.655 GPRESSURE: 2211400 181.855 34.8408 26.2745 120.202 248.669 -17.0002 -97.8917 61.6344 -65.0795 PRESSAVG: 2211400 37.492 51.8487 -19.5337 51.8486 -22.8048 53.3714 -19.5337 53.3715 10.5025 GPRESSAVG: 2211400 38.3056 52.2388 -19.6094 52.8182 -23.5941 53.3151 -18.3559 52.1335 9.86808 TIMING: 2211400 CPU: 6410.19, 0.00286879/step Wall: 6410.19, 0.00286879/step, 2.2222 hours remaining, 209.507812 MB of memory in use. ENERGY: 2211400 767.7542 2117.9051 1954.9063 120.3163 -206390.2180 17923.7649 0.0000 0.0000 34217.0445 -149288.5267 298.8260 -183505.5712 -149196.1811 299.0165 88.8623 121.8148 556058.9487 8.3965 8.1932 PRESSURE: 2211600 72.8631 -45.1874 -74.9286 -45.1853 -70.9496 69.5387 -74.9285 69.5372 -57.53 GPRESSURE: 2211600 102.198 -61.4603 1.04452 -80.27 -54.7832 107.024 -59.1924 -3.21519 -19.26 PRESSAVG: 2211600 40.9917 10.7922 -10.7068 10.7923 19.977 66.3143 -10.7069 66.3143 -99.0208 GPRESSAVG: 2211600 41.3872 11.5728 -11.2933 11.2206 18.4682 65.1828 -10.5288 66.7915 -97.906 TIMING: 2211600 CPU: 6410.77, 0.00288388/step Wall: 6410.77, 0.00288388/step, 2.23373 hours remaining, 209.507812 MB of memory in use. ENERGY: 2211600 738.5309 2161.4498 1919.8065 109.4549 -206496.6045 18054.2807 0.0000 0.0000 34295.6169 -149217.4648 299.5122 -183513.0817 -149136.0526 298.9162 -18.5388 9.3851 557801.2059 -12.6841 -12.6835 PRESSURE: 2211800 46.8951 -23.3516 61.5793 -23.352 -381.375 14.5793 61.5789 14.5801 -146.904 GPRESSURE: 2211800 103.14 -36.2585 -9.8738 -10.4748 -330.323 -71.3082 45.4141 41.9918 -152.769 PRESSAVG: 2211800 72.9499 32.0138 -78.6845 32.0139 -52.6214 69.194 -78.6845 69.194 -35.3428 GPRESSAVG: 2211800 72.2663 31.6602 -79.5941 33.4518 -51.9203 68.8685 -76.7227 69.8264 -35.1223 TIMING: 2211800 CPU: 6411.34, 0.00287889/step Wall: 6411.34, 0.00287889/step, 2.2297 hours remaining, 209.507812 MB of memory in use. ENERGY: 2211800 757.6621 2086.3405 1928.6697 108.6375 -205869.2716 17753.5342 0.0000 0.0000 34149.1367 -149085.2910 298.2329 -183234.4277 -148979.2370 299.8122 -160.4611 -126.6507 560014.2392 -5.0048 -4.9254 PRESSURE: 2212000 -13.5903 -47.2659 -54.9401 -47.2651 -242.103 121.188 -54.9392 121.187 100.474 GPRESSURE: 2212000 20.327 12.529 -22.0252 -31.9603 -214.927 96.8177 24.6845 126.706 133.952 PRESSAVG: 2212000 45.7445 -26.2608 -50.6817 -26.2607 -62.4052 5.40016 -50.6817 5.40018 51.5594 GPRESSAVG: 2212000 45.9765 -25.884 -51.0441 -28.239 -61.5329 4.86501 -51.087 5.01977 49.9964 TIMING: 2212000 CPU: 6411.92, 0.00287216/step Wall: 6411.92, 0.00287216/step, 2.22433 hours remaining, 209.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2212000 761.4512 2085.5430 1952.3297 110.6113 -206110.0053 17922.5153 0.0000 0.0000 34225.7861 -149051.7686 298.9023 -183277.5548 -148957.3532 299.2997 -51.7396 -20.2162 558315.1037 11.6329 11.4800 PRESSURE: 2212200 244.157 101.858 149.509 101.856 -162.533 -76.0053 149.51 -76.0057 -33.3677 GPRESSURE: 2212200 248.718 28.4507 81.9516 112.021 -124.848 -26.8809 70.1784 -80.6632 15.0875 PRESSAVG: 2212200 27.5719 -60.4859 26.113 -60.486 -17.4065 -13.4456 26.113 -13.4457 -1.93025 GPRESSAVG: 2212200 26.0533 -62.1357 25.1866 -58.44 -16.2131 -9.74779 24.6461 -16.1458 -1.8824 TIMING: 2212200 CPU: 6412.49, 0.00287399/step Wall: 6412.49, 0.00287399/step, 2.22559 hours remaining, 209.507812 MB of memory in use. ENERGY: 2212200 749.8185 2089.4500 1973.1827 111.3347 -206203.6644 17996.2480 0.0000 0.0000 34271.7869 -149011.8435 299.3040 -183283.6304 -148919.5784 300.1879 16.0854 46.3192 558757.3402 2.7451 2.6526 LDB: ============= START OF LOAD BALANCING ============== 6415.87 LDB: ============== END OF LOAD BALANCING =============== 6415.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6415.88 LDB: ============= START OF LOAD BALANCING ============== 6416.16 LDB: Largest compute 4820 load 0.026744 is 22.7% of average load 0.117863 LDB: Average compute 0.001745 is 1.5% of average load 0.117863 LDB: TIME 6416.17 LOAD: AVG 0.117863 MAX 0.180062 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.566 MB LDB: TIME 6416.17 LOAD: AVG 0.117863 MAX 0.180062 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: TIME 6416.17 LOAD: AVG 0.117863 MAX 0.180062 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6416.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6416.17 PRESSURE: 2212400 71.8268 40.627 112.058 40.6263 37.2461 71.7104 112.058 71.7108 -89.1894 GPRESSURE: 2212400 122.477 41.4187 142.837 64.6164 46.5842 56.4376 158.663 -1.63048 -74.6412 PRESSAVG: 2212400 56.8882 10.1786 -12.8696 10.1787 6.06112 -17.7444 -12.8696 -17.7444 -39.2222 GPRESSAVG: 2212400 57.0025 12.2217 -10.0223 9.55004 4.40904 -20.6324 -11.5979 -15.8504 -37.6616 TIMING: 2212400 CPU: 6413.08, 0.00291931/step Wall: 6413.08, 0.00291931/step, 2.26052 hours remaining, 210.957031 MB of memory in use. ENERGY: 2212400 726.2275 2114.9457 1953.2077 122.0958 -206508.1440 18098.4916 0.0000 0.0000 34330.6036 -149162.5721 299.8177 -183493.1757 -149067.0974 299.4819 6.6278 31.4733 558864.2928 7.9090 7.9167 PRESSURE: 2212600 -109.681 -82.8021 88.7147 -82.8005 -125.198 11.0787 88.7146 11.0783 -210.264 GPRESSURE: 2212600 -58.692 -27.2983 74.4213 -129.808 -87.8678 -56.237 127.622 54.2265 -200.881 PRESSAVG: 2212600 55.6112 38.0039 49.6664 38.0039 -30.8394 -27.8582 49.6664 -27.8582 -3.63523 GPRESSAVG: 2212600 56.445 37.5149 48.3915 37.7579 -30.9338 -28.5338 50.9649 -26.4511 -4.25367 TIMING: 2212600 CPU: 6413.65, 0.00286945/step Wall: 6413.65, 0.00286945/step, 2.22175 hours remaining, 211.285156 MB of memory in use. ENERGY: 2212600 758.9247 2079.5459 1951.0935 118.3532 -205993.8065 17708.7107 0.0000 0.0000 34148.0642 -149229.1143 298.2235 -183377.1785 -149129.8748 299.3041 -148.3811 -115.8137 560968.6486 7.0455 7.0859 PRESSURE: 2212800 181.894 -53.533 31.6518 -53.5327 -135.754 -27.4117 31.6522 -27.4113 -412.755 GPRESSURE: 2212800 142.543 -36.272 61.1514 -10.8168 -105.501 22.2276 13.6861 -118.986 -317.303 PRESSAVG: 2212800 35.2915 27.8173 16.7653 27.8173 -23.3222 -40.5889 16.7652 -40.5888 6.11871 GPRESSAVG: 2212800 35.8898 27.952 17.2094 28.0017 -24.2394 -39.6406 15.3061 -42.0317 6.3751 TIMING: 2212800 CPU: 6414.23, 0.00288463/step Wall: 6414.23, 0.00288463/step, 2.23334 hours remaining, 211.285156 MB of memory in use. ENERGY: 2212800 743.4936 2099.4323 1957.6721 109.8963 -206007.6443 17762.0535 0.0000 0.0000 34157.9060 -149177.1904 298.3095 -183335.0964 -149079.5494 298.9024 -122.2052 -93.4204 559937.0682 6.0294 6.0085 PRESSURE: 2213000 -41.3079 -2.74041 -168.488 -2.74002 -360.42 -16.8901 -168.487 -16.8912 110.527 GPRESSURE: 2213000 28.9742 -45.8711 -233.544 -3.08904 -345.224 -75.384 -152.884 -49.3923 124.968 PRESSAVG: 2213000 42.1358 1.53075 47.2825 1.53084 -22.7293 -17.0979 47.2825 -17.0978 -27.0525 GPRESSAVG: 2213000 41.7725 1.21363 47.8032 0.903356 -21.6772 -17.36 47.5414 -18.0384 -27.4057 TIMING: 2213000 CPU: 6414.8, 0.00289294/step Wall: 6414.8, 0.00289294/step, 2.23962 hours remaining, 211.285156 MB of memory in use. ENERGY: 2213000 748.1579 2067.0700 1942.7620 106.8622 -205846.7693 17533.3119 0.0000 0.0000 34346.7046 -149101.9006 299.9583 -183448.6052 -149002.6225 299.5578 -97.0669 -63.7608 559597.0484 -2.5487 -2.4368 PRESSURE: 2213200 167.476 -23.397 -282.089 -23.397 -15.8646 -216.144 -282.089 -216.145 64.4886 GPRESSURE: 2213200 192.045 9.15967 -313.786 -56.5087 -1.6688 -105.963 -241.897 -271.927 128.087 PRESSAVG: 2213200 15.2115 -40.1849 20.1579 -40.1848 -43.234 -9.27448 20.1578 -9.27452 30.9449 GPRESSAVG: 2213200 14.678 -40.224 22.0936 -39.033 -42.2875 -10.3399 19.6209 -8.99952 31.3817 TIMING: 2213200 CPU: 6415.38, 0.00287557/step Wall: 6415.38, 0.00287557/step, 2.22601 hours remaining, 211.285156 MB of memory in use. ENERGY: 2213200 755.3951 2160.0122 1944.9361 99.9067 -206429.9509 18065.4301 0.0000 0.0000 34203.0730 -149201.1977 298.7039 -183404.2707 -149102.4337 299.6346 72.0334 106.1543 558608.0704 0.9741 1.2574 PRESSURE: 2213400 -180.731 -3.33715 167.232 -3.33618 -299.702 -15.8685 167.233 -15.867 -135.435 GPRESSURE: 2213400 -110.525 98.0844 209.818 -82.1142 -341.079 24.7004 136.698 -65.6325 -59.0519 PRESSAVG: 2213400 33.6935 -0.395471 2.17216 -0.395421 -47.4378 -35.4732 2.17214 -35.4732 -1.49396 GPRESSAVG: 2213400 34.8065 0.135163 -0.899805 -0.168866 -48.6417 -36.0486 3.05656 -34.3565 -1.43411 TIMING: 2213400 CPU: 6415.95, 0.00287439/step Wall: 6415.95, 0.00287439/step, 2.22494 hours remaining, 211.285156 MB of memory in use. ENERGY: 2213400 750.9501 2106.3070 1975.6073 110.4236 -206070.1865 17557.6752 0.0000 0.0000 34233.8703 -149335.3530 298.9729 -183569.2232 -149231.1970 299.1913 -205.2895 -170.2185 556916.9381 -5.0794 -5.0898 PRESSURE: 2213600 1.05617 19.1899 -80.5801 19.1893 -16.724 125.249 -80.5809 125.248 -8.62167 GPRESSURE: 2213600 -5.63612 28.3218 -0.105609 88.7805 68.3025 80.1749 -126.162 107.409 25.6258 PRESSAVG: 2213600 -31.5154 -32.7652 55.2721 -32.7653 -2.5994 -33.0899 55.2721 -33.0898 -14.5493 GPRESSAVG: 2213600 -32.6411 -32.5978 54.1033 -35.3166 -1.4464 -31.7994 55.7117 -34.567 -14.1686 TIMING: 2213600 CPU: 6416.53, 0.00287865/step Wall: 6416.53, 0.00287865/step, 2.22807 hours remaining, 211.285156 MB of memory in use. ENERGY: 2213600 754.3078 2070.4557 1951.5100 126.0177 -206269.6215 17813.7192 0.0000 0.0000 34183.5325 -149370.0787 298.5333 -183553.6112 -149270.4009 298.7899 -8.0965 29.4307 557316.6348 -16.2214 -16.0854 PRESSURE: 2213800 10.0033 -46.8913 39.6656 -46.8916 211.38 66.6972 39.6657 66.6973 20.0648 GPRESSURE: 2213800 37.4942 -28.8079 6.73419 34.8686 225.355 38.0743 34.0189 96.6448 85.0457 PRESSAVG: 2213800 17.0532 2.39411 14.8147 2.39403 -33.5548 60.7871 14.8146 60.7871 11.325 GPRESSAVG: 2213800 17.0527 1.91157 15.923 3.88075 -33.105 61.9351 15.2582 61.377 10.9353 TIMING: 2213800 CPU: 6417.11, 0.0028738/step Wall: 6417.11, 0.0028738/step, 2.22416 hours remaining, 211.285156 MB of memory in use. ENERGY: 2213800 741.5133 2098.9571 1958.6787 128.1233 -206519.6148 18111.4731 0.0000 0.0000 34111.2996 -149369.5697 297.9025 -183480.8692 -149278.0172 298.9333 80.4828 115.9650 556917.7876 -1.7255 -1.7056 PRESSURE: 2214000 -96.9728 14.5764 2.40105 14.5751 91.2403 53.7273 2.40105 53.7279 94.9469 GPRESSURE: 2214000 -67.3908 33.4182 51.2501 51.7945 126.18 143.703 -30.3767 55.3473 130.872 PRESSAVG: 2214000 -12.5388 -37.2088 52.6262 -37.2088 60.0504 -14.3729 52.6261 -14.3729 -6.39694 GPRESSAVG: 2214000 -12.722 -38.0903 51.4862 -35.8592 59.9866 -15.7277 50.7399 -15.2865 -6.11655 TIMING: 2214000 CPU: 6417.68, 0.00287713/step Wall: 6417.68, 0.00287713/step, 2.22658 hours remaining, 211.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2214000 723.3452 2116.3261 1982.8737 116.9674 -206527.1012 17894.8887 0.0000 0.0000 34504.3746 -149188.3253 301.3353 -183692.6999 -149094.5264 299.2493 29.7381 63.2206 557385.2024 13.7049 13.7160 PRESSURE: 2214200 3.83187 -54.9156 -145.41 -54.916 216.404 6.99906 -145.411 7.00042 -20.7679 GPRESSURE: 2214200 40.3415 9.42948 -128.896 -45.5915 223.057 37.6879 -22.7883 -13.1635 34.9007 PRESSAVG: 2214200 -24.3634 -23.5405 -40.4858 -23.5404 84.3994 -6.73601 -40.4858 -6.73599 -28.5616 GPRESSAVG: 2214200 -26.1157 -21.6936 -40.0574 -24.7533 84.8304 -7.33439 -38.4191 -6.52581 -27.9497 TIMING: 2214200 CPU: 6418.26, 0.00288218/step Wall: 6418.26, 0.00288218/step, 2.23033 hours remaining, 211.285156 MB of memory in use. ENERGY: 2214200 765.6438 2148.8995 1941.1974 125.3376 -206228.4691 17847.5632 0.0000 0.0000 34323.1431 -149076.6846 299.7525 -183399.8277 -148987.9956 300.1288 66.4892 99.4330 557342.4203 10.4915 10.2550 PRESSURE: 2214400 -35.4515 131.613 57.3723 131.613 219.118 44.0777 57.3708 44.0783 231.315 GPRESSURE: 2214400 -11.0204 96.942 88.5124 126.613 253.283 -11.4524 56.512 115.89 271.571 PRESSAVG: 2214400 -18.8714 -16.8502 -8.1722 -16.8502 42.9395 40.5493 -8.1723 40.5492 -4.87919 GPRESSAVG: 2214400 -16.7117 -16.786 -8.30983 -15.784 42.3829 41.5093 -7.74626 42.2671 -6.29211 TIMING: 2214400 CPU: 6418.83, 0.0028771/step Wall: 6418.83, 0.0028771/step, 2.22624 hours remaining, 211.285156 MB of memory in use. ENERGY: 2214400 744.8710 2169.2529 1979.5463 125.1726 -206634.5354 18226.7321 0.0000 0.0000 34280.0922 -149108.8684 299.3766 -183388.9605 -149014.9950 299.8297 138.3273 171.2781 558936.3603 6.3963 6.4597 PRESSURE: 2214600 -16.3109 -8.4557 -325.429 -8.45535 -34.5597 94.681 -325.43 94.6829 103.314 GPRESSURE: 2214600 -17.5191 21.5717 -184.01 -50.2496 16.6972 42.2839 -379.656 88.0698 157.277 PRESSAVG: 2214600 -74.5032 -20.6356 1.18802 -20.6356 49.876 -0.450879 1.188 -0.450854 44.5916 GPRESSAVG: 2214600 -74.9386 -20.7347 2.57352 -21.3247 50.243 1.0438 1.56415 -0.699758 45.0366 TIMING: 2214600 CPU: 6419.41, 0.00286928/step Wall: 6419.41, 0.00286928/step, 2.22003 hours remaining, 211.285156 MB of memory in use. ENERGY: 2214600 737.1669 2107.4024 1982.2744 124.9919 -206142.5534 17716.8907 0.0000 0.0000 34448.4465 -149025.3805 300.8469 -183473.8270 -148931.4488 300.0325 17.4813 52.1516 557323.2102 6.6548 6.7803 PRESSURE: 2214800 -305.758 -97.277 -35.4675 -97.2763 -106.242 72.749 -35.4669 72.7482 -232.236 GPRESSURE: 2214800 -322.713 -43.3744 -45.9635 -103.269 -6.97496 94.2791 25.0347 81.9187 -204.03 PRESSAVG: 2214800 -13.5728 16.7938 -50.7566 16.7938 -26.4112 19.3622 -50.7565 19.3621 62.2408 GPRESSAVG: 2214800 -14.0382 15.6186 -50.3999 17.4186 -25.6506 17.4554 -54.2395 17.4385 62.2132 TIMING: 2214800 CPU: 6419.98, 0.00286755/step Wall: 6419.98, 0.00286755/step, 2.21853 hours remaining, 211.285156 MB of memory in use. ENERGY: 2214800 737.0349 2132.3501 1970.2294 105.1503 -205653.9788 17379.8967 0.0000 0.0000 34362.7529 -148966.5644 300.0985 -183329.3173 -148860.2752 300.5071 -214.7450 -177.9059 557706.2104 7.4189 7.5081 PRESSURE: 2215000 -76.5474 62.9781 39.0468 62.9778 24.7237 -54.0997 39.0463 -54.1017 -217.14 GPRESSURE: 2215000 -37.272 97.9845 66.4828 -8.8302 26.032 47.7583 21.2851 -60.27 -161.251 PRESSAVG: 2215000 33.7456 5.19822 -19.4321 5.19835 -13.2081 65.7985 -19.4321 65.7985 -9.01215 GPRESSAVG: 2215000 35.5215 6.34249 -20.5613 5.1245 -14.0936 65.6908 -16.9718 66.6457 -9.82718 TIMING: 2215000 CPU: 6420.55, 0.00286538/step Wall: 6420.55, 0.00286538/step, 2.21669 hours remaining, 211.285156 MB of memory in use. ENERGY: 2215000 744.8773 2052.6449 1948.8316 117.5553 -205782.5024 17734.5912 0.0000 0.0000 34076.5603 -149107.4419 297.5991 -183184.0021 -149006.1469 300.0366 -89.6545 -57.4971 556830.1231 3.8418 3.8669 PRESSURE: 2215200 -374.933 49.0277 -40.9099 49.0271 -352.762 -91.0074 -40.9091 -91.0076 -184.147 GPRESSURE: 2215200 -310.407 31.3949 -49.5398 57.9874 -310.252 -77.3631 -49.7909 -202.965 -189.979 PRESSAVG: 2215200 14.0557 50.9913 26.6787 50.9912 7.65564 -39.0227 26.6788 -39.0227 -3.46866 GPRESSAVG: 2215200 12.2019 50.3556 27.3722 48.593 7.77463 -37.8113 27.3936 -40.8469 -2.14246 TIMING: 2215200 CPU: 6421.13, 0.00287823/step Wall: 6421.13, 0.00287823/step, 2.22647 hours remaining, 211.285156 MB of memory in use. ENERGY: 2215200 781.4952 2093.9279 1949.7730 117.6728 -205118.4532 17196.9336 0.0000 0.0000 34037.8447 -148940.8060 297.2610 -182978.6507 -148847.1394 299.6403 -303.9472 -270.2125 558109.5021 6.0809 5.9447 PRESSURE: 2215400 120.835 32.0262 -59.141 32.0271 102.338 59.8088 -59.1409 59.8092 138.867 GPRESSURE: 2215400 160.341 38.4326 -49.1477 73.0003 147.924 136.278 7.18065 8.50298 142.344 PRESSAVG: 2215400 -38.1206 -5.25951 -19.9736 -5.25953 20.0714 54.2095 -19.9736 54.2095 14.4253 GPRESSAVG: 2215400 -37.2822 -4.93985 -19.1841 -3.17657 18.9711 53.921 -23.0342 54.6685 14.165 TIMING: 2215400 CPU: 6421.71, 0.00288345/step Wall: 6421.71, 0.00288345/step, 2.23035 hours remaining, 211.285156 MB of memory in use. ENERGY: 2215400 742.5109 2083.3824 1939.5603 118.1140 -205691.3216 17745.0840 0.0000 0.0000 34192.2241 -148870.4459 298.6092 -183062.6700 -148776.7578 299.7386 120.6802 150.2029 556413.6445 -1.2080 -1.3820 PRESSURE: 2215600 166.724 46.0424 147.077 46.0416 -144.786 146.039 147.078 146.037 185.602 GPRESSURE: 2215600 149.864 18.2996 168.765 104.037 -101.081 87.1323 163.881 187.991 239.908 PRESSAVG: 2215600 17.3627 34.4629 5.21345 34.4628 -42.3452 47.8859 5.21358 47.8858 -9.35616 GPRESSAVG: 2215600 17.3805 37.0441 5.3787 31.8443 -41.7053 48.5568 6.15529 48.227 -9.94934 TIMING: 2215600 CPU: 6422.28, 0.00288746/step Wall: 6422.28, 0.00288746/step, 2.23329 hours remaining, 211.285156 MB of memory in use. ENERGY: 2215600 776.3483 2037.0400 1966.9385 120.8628 -205974.2833 17890.9608 0.0000 0.0000 34312.4664 -148869.6665 299.6593 -183182.1329 -148775.8815 299.6605 69.1803 96.2304 558662.6098 -11.4462 -11.4247 PRESSURE: 2215800 -289.94 -3.97539 63.4663 -3.9746 -446.914 49.5305 63.4663 49.5303 38.4188 GPRESSURE: 2215800 -261.813 2.43165 140.078 34.7789 -398.355 -44.3827 46.3561 58.6208 51.5364 PRESSAVG: 2215800 -31.0219 19.9147 44.6437 19.9147 44.2257 -41.2232 44.6438 -41.2231 6.25024 GPRESSAVG: 2215800 -29.9225 18.0805 43.4917 21.2831 43.6645 -43.0959 44.8976 -40.7133 5.6094 TIMING: 2215800 CPU: 6422.86, 0.00288961/step Wall: 6422.86, 0.00288961/step, 2.23479 hours remaining, 211.285156 MB of memory in use. ENERGY: 2215800 727.0837 2079.6499 1968.9374 120.4925 -205998.9535 17471.2792 0.0000 0.0000 34522.9757 -149108.5351 301.4977 -183631.5108 -149012.4780 299.8162 -232.8119 -202.8773 557745.6075 6.4847 6.4505 PRESSURE: 2216000 -206.604 -200.828 189.682 -200.828 229.906 242.904 189.682 242.902 47.1961 GPRESSURE: 2216000 -173.447 -154.302 143.476 -148.718 222.546 205.228 164.651 288.951 118.585 PRESSAVG: 2216000 -59.9497 -9.53654 19.127 -9.53659 78.5507 32.1932 19.127 32.1932 2.7766 GPRESSAVG: 2216000 -60.9453 -10.1333 20.1038 -7.89644 79.8369 34.7402 17.5691 33.8146 2.28814 TIMING: 2216000 CPU: 6423.44, 0.00287383/step Wall: 6423.44, 0.00287383/step, 2.22243 hours remaining, 211.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2216000 737.4153 2017.4626 1929.0117 111.4443 -206100.3605 17679.2495 0.0000 0.0000 34424.3363 -149201.4407 300.6363 -183625.7771 -149099.6234 299.0959 23.4994 55.8950 556613.6204 7.1259 7.0599 PRESSURE: 2216200 -134.27 -128.645 -70.962 -128.644 -277.049 140.52 -70.9611 140.52 -110.145 GPRESSURE: 2216200 -33.7785 -98.9113 -97.3984 -88.3642 -258.589 109.255 -39.087 68.8203 -121.356 PRESSAVG: 2216200 -17.3392 -45.3767 -36.6311 -45.3767 7.79057 -64.2987 -36.6312 -64.2986 37.0649 GPRESSAVG: 2216200 -16.0343 -43.9357 -38.3101 -46.1547 5.79028 -66.7006 -32.4886 -65.0903 37.7199 TIMING: 2216200 CPU: 6424.01, 0.00286676/step Wall: 6424.01, 0.00286676/step, 2.2168 hours remaining, 211.285156 MB of memory in use. ENERGY: 2216200 737.3055 2065.3847 1969.0026 115.6199 -206138.3232 17685.9026 0.0000 0.0000 34185.9814 -149379.1264 298.5547 -183565.1078 -149279.6622 299.1761 -173.8211 -137.9079 557595.6115 9.1721 9.1586 LDB: ============= START OF LOAD BALANCING ============== 6427.39 LDB: ============== END OF LOAD BALANCING =============== 6427.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6427.39 LDB: ============= START OF LOAD BALANCING ============== 6427.68 LDB: Largest compute 4820 load 0.025684 is 21.8% of average load 0.117938 LDB: Average compute 0.001731 is 1.5% of average load 0.117938 LDB: TIME 6427.68 LOAD: AVG 0.117938 MAX 0.181585 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.359 MB LDB: TIME 6427.68 LOAD: AVG 0.117938 MAX 0.181585 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: TIME 6427.68 LOAD: AVG 0.117938 MAX 0.181585 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6427.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6427.69 PRESSURE: 2216400 -26.1103 12.8802 -64.7934 12.8806 -157.578 -8.70306 -64.7935 -8.7039 -240.068 GPRESSURE: 2216400 -10.8341 -51.4543 -52.6998 108.114 -101.467 -6.32117 7.99234 -29.0508 -211.248 PRESSAVG: 2216400 -6.47434 -5.11106 -31.553 -5.11105 -12.578 -8.28304 -31.5529 -8.28288 6.20969 GPRESSAVG: 2216400 -7.69291 -6.27123 -29.9671 -6.13456 -11.5812 -8.07404 -34.4593 -8.28816 5.70339 TIMING: 2216400 CPU: 6424.59, 0.00291761/step Wall: 6424.59, 0.00291761/step, 2.25596 hours remaining, 209.414062 MB of memory in use. ENERGY: 2216400 724.9070 2118.1646 1977.7055 111.4213 -206126.3875 17729.0492 0.0000 0.0000 34080.8362 -149384.3037 297.6364 -183465.1399 -149288.7518 298.5674 -141.2519 -107.8497 558721.9910 -4.2809 -4.5236 PRESSURE: 2216600 152.267 -112.195 156.547 -112.195 -96.434 -84.4029 156.547 -84.4028 -103.935 GPRESSURE: 2216600 180.182 -100.957 168.618 -140.808 -45.1708 -71.1772 86.5832 -13.456 -87.1509 PRESSAVG: 2216600 121.172 -19.5401 -0.787615 -19.5401 -69.6158 20.3743 -0.787685 20.3743 -43.519 GPRESSAVG: 2216600 122.139 -20.204 -1.60691 -18.8648 -69.4248 21.2475 0.292336 20.4117 -44.6071 TIMING: 2216600 CPU: 6425.17, 0.00288007/step Wall: 6425.17, 0.00288007/step, 2.22677 hours remaining, 209.613281 MB of memory in use. ENERGY: 2216600 747.2699 2084.6685 1952.4561 94.1519 -206487.0576 17984.2651 0.0000 0.0000 34245.5391 -149378.7071 299.0748 -183624.2461 -149280.8754 298.5058 -16.0341 15.9535 558488.3276 2.6792 2.7024 PRESSURE: 2216800 230.927 -16.3936 139.916 -16.3935 -34.7409 67.0536 139.916 67.0531 -130.575 GPRESSURE: 2216800 243.845 9.79945 99.508 -8.92518 36.4727 66.75 155.477 59.3256 -125.526 PRESSAVG: 2216800 100.859 7.69544 80.7342 7.69552 -16.6502 36.6947 80.7341 36.6946 -108.82 GPRESSAVG: 2216800 100.293 9.12803 79.7603 6.28929 -17.2925 35.9212 80.9961 36.7701 -108.26 TIMING: 2216800 CPU: 6425.74, 0.00287136/step Wall: 6425.74, 0.00287136/step, 2.21988 hours remaining, 209.683594 MB of memory in use. ENERGY: 2216800 739.9144 2061.2280 1934.5299 114.6762 -206398.0550 17832.5018 0.0000 0.0000 34422.3103 -149292.8944 300.6186 -183715.2047 -149193.1800 299.4016 21.8706 51.5974 557184.6014 -8.2039 -8.4199 PRESSURE: 2217000 27.8283 83.2692 -81.4117 83.2708 -87.9802 63.2794 -81.4105 63.2793 -128.764 GPRESSURE: 2217000 48.4837 108.06 -137.615 117.645 -16.9943 74.4902 -36.4174 1.52077 -120.937 PRESSAVG: 2217000 50.6614 4.92257 -8.69822 4.92264 -35.04 19.4096 -8.69815 19.4096 -15.2652 GPRESSAVG: 2217000 48.414 4.87176 -7.27167 6.76822 -34.3358 19.0025 -8.7678 19.4391 -14.063 TIMING: 2217000 CPU: 6426.32, 0.00288547/step Wall: 6426.32, 0.00288547/step, 2.23063 hours remaining, 209.683594 MB of memory in use. ENERGY: 2217000 772.4298 2060.1104 1949.1837 111.0270 -206452.5754 17933.8753 0.0000 0.0000 34258.4302 -149367.5190 299.1874 -183625.9492 -149269.2027 299.1136 -62.9720 -29.8157 559420.6409 0.1187 0.0051 PRESSURE: 2217200 5.08737 -12.8773 20.4602 -12.8767 103.503 -249.645 20.4599 -249.646 43.2796 GPRESSURE: 2217200 17.7392 -49.07 -3.17113 -56.8353 138.862 -214.401 98.3407 -240.102 85.395 PRESSAVG: 2217200 32.8722 32.6536 -10.8381 32.6536 17.6561 -54.2717 -10.8381 -54.2716 7.23748 GPRESSAVG: 2217200 34.0633 31.0861 -12.3878 31.4028 18.1867 -52.7563 -8.76715 -55.3181 5.66448 TIMING: 2217200 CPU: 6426.9, 0.00287804/step Wall: 6426.9, 0.00287804/step, 2.22473 hours remaining, 209.683594 MB of memory in use. ENERGY: 2217200 716.7296 2140.9609 1934.7114 99.6975 -206239.0756 17995.7115 0.0000 0.0000 34245.8905 -149105.3743 299.0779 -183351.2648 -149007.7162 298.7327 50.6232 80.6655 558122.7947 19.2553 19.3049 PRESSURE: 2217400 400.531 93.2942 -45.1084 93.2939 64.9017 -209.961 -45.1089 -209.962 63.8535 GPRESSURE: 2217400 407.381 6.72586 -37.6946 124.091 138.396 -171.37 1.54221 -236.458 92.8515 PRESSAVG: 2217400 30.6484 -22.6118 1.76234 -22.6117 25.15 20.0847 1.76239 20.0848 -6.16475 GPRESSAVG: 2217400 31.2126 -24.1368 4.11003 -22.4636 23.6817 18.9451 -2.94676 20.5092 -5.53272 TIMING: 2217400 CPU: 6427.47, 0.00287827/step Wall: 6427.47, 0.00287827/step, 2.22474 hours remaining, 209.683594 MB of memory in use. ENERGY: 2217400 737.5276 2116.9116 1920.6370 110.6022 -206336.7489 18038.3298 0.0000 0.0000 34414.8282 -148997.9124 300.5533 -183412.7406 -148892.7033 299.9048 176.4289 212.8764 556539.0630 16.5446 16.4538 PRESSURE: 2217600 -163.412 -150.323 -140.498 -150.322 -8.81895 -161.986 -140.498 -161.987 -9.74323 GPRESSURE: 2217600 -155.363 -60.0018 -171.082 -151.293 43.1607 -104.935 -57.3951 -156.627 33.3715 PRESSAVG: 2217600 29.6145 29.9324 -1.70381 29.9324 -1.83371 -31.7918 -1.70385 -31.7918 -31.091 GPRESSAVG: 2217600 27.8802 32.7111 -0.983189 30.3071 -0.896179 -29.9863 -0.16466 -32.3133 -29.8256 TIMING: 2217600 CPU: 6428.05, 0.00287039/step Wall: 6428.05, 0.00287039/step, 2.21849 hours remaining, 209.683594 MB of memory in use. ENERGY: 2217600 718.7745 2065.8451 1956.1891 105.3582 -205709.0006 17600.0900 0.0000 0.0000 34212.0948 -149050.6491 298.7827 -183262.7439 -148945.7667 299.6354 -60.6579 -26.2770 556679.0565 -1.1034 -0.9472 PRESSURE: 2217800 -255.335 52.0231 112.756 52.0237 -112.264 -56.4657 112.755 -56.4658 -208.474 GPRESSURE: 2217800 -198.176 74.6483 115.175 5.44336 -109.405 -28.2809 128.635 -23.58 -179.676 PRESSAVG: 2217800 -118.078 -27.2271 18.5268 -27.2271 -4.85473 -48.7602 18.5268 -48.7602 98.0872 GPRESSAVG: 2217800 -117.655 -27.7239 16.1801 -27.4788 -3.90626 -47.1937 17.079 -50.3448 96.7915 TIMING: 2217800 CPU: 6428.62, 0.0028758/step Wall: 6428.62, 0.0028758/step, 2.22252 hours remaining, 209.683594 MB of memory in use. ENERGY: 2217800 722.3252 2087.8339 1918.8949 123.6200 -205982.7286 17488.5320 0.0000 0.0000 34540.9479 -149100.5750 301.6547 -183641.5228 -149005.5065 299.5275 -192.0244 -162.4192 557631.4636 -8.2819 -8.2567 PRESSURE: 2218000 -34.8731 -93.4019 83.121 -93.4027 296.953 50.2085 83.1219 50.2097 -20.4678 GPRESSURE: 2218000 42.8897 -127.76 2.01086 -59.2229 286.681 103.964 81.8219 80.9469 7.57033 PRESSAVG: 2218000 -12.6829 10.0269 13.1224 10.0269 105.051 16.8688 13.1223 16.8688 -25.8514 GPRESSAVG: 2218000 -11.5851 7.34161 12.1613 10.3357 104.327 13.1217 17.3658 18.2288 -25.6534 TIMING: 2218000 CPU: 6429.2, 0.00287772/step Wall: 6429.2, 0.00287772/step, 2.22384 hours remaining, 209.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2218000 746.0500 2123.6099 1961.1433 105.6901 -206115.9845 17797.4860 0.0000 0.0000 34256.7303 -149125.2749 299.1725 -183382.0053 -149029.2208 300.3458 80.5374 112.3803 555285.0012 22.1724 22.3630 PRESSURE: 2218200 14.9233 123.259 34.6769 123.259 259.7 29.6975 34.6776 29.6968 46.3806 GPRESSURE: 2218200 78.512 81.9686 58.8946 92.2335 215.2 39.6308 7.79617 33.8953 136.761 PRESSAVG: 2218200 -24.6878 -16.7561 14.9563 -16.7562 23.281 1.35775 14.9562 1.35771 -42.2868 GPRESSAVG: 2218200 -24.2666 -14.0943 13.9387 -15.3605 23.1684 1.52786 13.3869 2.92952 -42.2244 TIMING: 2218200 CPU: 6429.77, 0.00286164/step Wall: 6429.77, 0.00286164/step, 2.21125 hours remaining, 209.683594 MB of memory in use. ENERGY: 2218200 747.4265 2081.5437 1945.1178 121.6303 -206238.5590 17955.6619 0.0000 0.0000 34270.4643 -149116.7146 299.2925 -183387.1789 -149029.6227 299.9576 107.0014 143.4911 557002.1793 -14.5645 -14.4409 PRESSURE: 2218400 39.8095 42.5241 -158.363 42.5246 -223.355 111.2 -158.363 111.199 -276.569 GPRESSURE: 2218400 126.224 34.8515 -101.792 86.5955 -225.964 70.8996 -174.216 177.144 -263.605 PRESSAVG: 2218400 26.5416 20.4638 -54.929 20.4639 -39.972 18.7948 -54.929 18.7948 41.4741 GPRESSAVG: 2218400 26.9977 19.838 -52.9937 20.0354 -40.969 18.5936 -54.0335 17.4456 42.2401 TIMING: 2218400 CPU: 6430.34, 0.00285631/step Wall: 6430.34, 0.00285631/step, 2.20698 hours remaining, 209.683594 MB of memory in use. ENERGY: 2218400 803.2780 2147.7509 1963.0965 122.1251 -205880.7636 17664.8375 0.0000 0.0000 34301.4876 -148878.1880 299.5634 -183179.6756 -148784.2850 300.4403 -153.3714 -121.1150 556977.7925 9.3479 9.4230 PRESSURE: 2218600 -99.7103 -161.146 120.578 -161.146 12.4088 185.467 120.576 185.467 9.85013 GPRESSURE: 2218600 -65.8912 -119.923 5.60729 -193.95 49.0919 91.1939 154.347 226.431 35.8484 PRESSAVG: 2218600 70.7106 1.85154 -56.422 1.85159 -9.56888 28.1922 -56.4221 28.1923 -65.3081 GPRESSAVG: 2218600 71.0495 1.2415 -58.5526 0.481557 -8.8884 28.8516 -57.3264 28.6828 -66.2354 TIMING: 2218600 CPU: 6430.92, 0.00288903/step Wall: 6430.92, 0.00288903/step, 2.2321 hours remaining, 209.683594 MB of memory in use. ENERGY: 2218600 773.8054 2062.7053 1943.7360 107.8553 -205950.8617 17891.5902 0.0000 0.0000 34177.7633 -148993.4063 298.4829 -183171.1695 -148896.9128 300.1284 -25.8171 6.3497 558568.5144 -1.3888 -1.3581 PRESSURE: 2218800 -229.899 -213.046 -0.694609 -213.046 -106.919 28.0958 -0.694675 28.0952 -177.896 GPRESSURE: 2218800 -211.845 -248.977 -106.744 -134.177 -69.4184 40.6002 31.0986 -47.8568 -137.668 PRESSAVG: 2218800 45.1008 26.1736 48.8121 26.1736 18.5805 -12.9774 48.812 -12.9772 -70.9196 GPRESSAVG: 2218800 44.0605 28.3417 50.3485 26.9604 18.6523 -11.9706 47.1514 -14.5214 -69.7612 TIMING: 2218800 CPU: 6431.49, 0.00288072/step Wall: 6431.49, 0.00288072/step, 2.22551 hours remaining, 209.683594 MB of memory in use. ENERGY: 2218800 752.5488 2042.4938 1948.1740 101.0308 -205899.3020 17565.9998 0.0000 0.0000 34437.4628 -149051.5919 300.7509 -183489.0547 -148951.5025 300.4837 -171.5711 -139.6438 558404.7741 -2.4127 -2.3494 PRESSURE: 2219000 126.742 -15.8626 102.396 -15.8614 160.107 -15.1676 102.395 -15.1668 61.2152 GPRESSURE: 2219000 164.955 -12.5404 92.4664 13.3574 142.019 19.4729 79.875 8.40623 142.384 PRESSAVG: 2219000 19.2961 -17.7863 -11.3677 -17.7863 2.2568 9.81914 -11.3677 9.819 -30.0167 GPRESSAVG: 2219000 19.3118 -17.7807 -9.06615 -19.1482 2.8842 9.19687 -10.0528 12.3476 -30.0113 TIMING: 2219000 CPU: 6432.07, 0.00288988/step Wall: 6432.07, 0.00288988/step, 2.23243 hours remaining, 209.683594 MB of memory in use. ENERGY: 2219000 708.5644 2117.2830 1940.8317 115.0697 -206535.2205 18164.0308 0.0000 0.0000 34480.0103 -149009.4306 301.1225 -183489.4410 -148921.7529 299.9215 116.0214 149.7857 557830.5842 -2.8213 -2.6051 PRESSURE: 2219200 38.3488 -58.9634 -85.9499 -58.9623 37.5492 -167.308 -85.9503 -167.309 -338.195 GPRESSURE: 2219200 67.9331 -63.5381 -115.881 -38.7744 63.7149 -146.915 -76.877 -194.663 -304.854 PRESSAVG: 2219200 -29.5873 -4.48864 -19.5899 -4.48849 37.4455 -4.00883 -19.5899 -4.00886 36.6632 GPRESSAVG: 2219200 -28.8988 -5.97657 -22.0992 -1.73235 37.6997 -6.34633 -19.4655 -3.1029 35.5814 TIMING: 2219200 CPU: 6432.65, 0.00288647/step Wall: 6432.65, 0.00288647/step, 2.22964 hours remaining, 209.683594 MB of memory in use. ENERGY: 2219200 793.9643 2096.8695 1963.9816 121.2421 -206102.6546 17898.4724 0.0000 0.0000 34299.3205 -148928.8040 299.5445 -183228.1245 -148837.8034 300.0993 -87.4323 -57.7355 557796.7602 14.8405 14.7941 PRESSURE: 2219400 -293.854 72.7439 15.3562 72.7444 -446.084 68.2764 15.3565 68.2768 -109.672 GPRESSURE: 2219400 -297.179 137.965 0.756107 22.4523 -388.149 7.08547 35.137 46.6198 -52.9041 PRESSAVG: 2219400 -49.81 -12.7397 -47.8057 -12.7397 -9.40157 -34.3909 -47.8057 -34.3908 37.9423 GPRESSAVG: 2219400 -47.9008 -11.2559 -47.4076 -15.5082 -10.7264 -33.22 -47.6312 -34.9909 37.9565 TIMING: 2219400 CPU: 6433.23, 0.00288142/step Wall: 6433.23, 0.00288142/step, 2.22557 hours remaining, 209.683594 MB of memory in use. ENERGY: 2219400 735.3061 2112.1311 1963.8636 118.1874 -205958.5809 17602.9812 0.0000 0.0000 34414.9412 -149011.1703 300.5542 -183426.1115 -148923.2018 300.0557 -283.2032 -246.0772 559260.6376 -7.0898 -6.8902 PRESSURE: 2219600 -99.3893 -85.5619 13.9898 -85.5619 60.6675 -14.7789 13.9915 -14.7792 -282.792 GPRESSURE: 2219600 -108.497 -51.6851 5.35616 -106.67 109.973 -14.4883 33.3976 65.2239 -227.795 PRESSAVG: 2219600 -21.6706 -30.5229 13.7334 -30.5229 -46.8443 28.1508 13.7335 28.1508 63.2742 GPRESSAVG: 2219600 -22.4129 -31.2881 12.6072 -30.3376 -46.7181 28.6966 13.4536 26.2812 63.3001 TIMING: 2219600 CPU: 6433.8, 0.00286386/step Wall: 6433.8, 0.00286386/step, 2.21185 hours remaining, 209.683594 MB of memory in use. ENERGY: 2219600 793.1578 2017.2553 1963.4957 104.0178 -206076.3062 17712.8936 0.0000 0.0000 34448.0252 -149037.4608 300.8432 -183485.4860 -148945.2570 300.0482 -107.1713 -75.4396 558353.0241 -1.7469 -1.9436 PRESSURE: 2219800 170.65 -35.188 25.1901 -35.1879 6.07545 -10.2176 25.1901 -10.2185 -34.3601 GPRESSURE: 2219800 194.781 -7.55035 10.4188 -90.5588 26.8045 17.4102 -31.7063 -45.5187 9.42795 PRESSAVG: 2219800 -31.5035 -37.4476 -84.3473 -37.4477 22.6424 28.9892 -84.3473 28.9892 -8.12679 GPRESSAVG: 2219800 -32.3708 -37.4851 -83.9867 -36.7032 22.3442 30.8588 -85.802 29.598 -7.436 TIMING: 2219800 CPU: 6434.37, 0.00286757/step Wall: 6434.37, 0.00286757/step, 2.21456 hours remaining, 209.683594 MB of memory in use. ENERGY: 2219800 747.6066 2086.7390 1952.4087 119.7678 -205990.0375 17703.7354 0.0000 0.0000 34401.5357 -148978.2442 300.4372 -183379.7799 -148886.6442 299.8354 47.4551 77.0045 556838.1657 -5.6626 -5.8209 PRESSURE: 2220000 -280.679 -20.5104 48.9316 -20.5106 -87.7754 -125.035 48.9319 -125.035 69.7791 GPRESSURE: 2220000 -176.144 25.1051 43.737 -120.432 -62.4232 -142.231 34.1664 -46.122 51.1152 PRESSAVG: 2220000 -8.67041 5.63884 5.07815 5.63876 -24.0184 -19.8847 5.07819 -19.8846 25.7477 GPRESSAVG: 2220000 -7.93513 5.15215 6.39775 6.13988 -23.4773 -21.7879 3.71131 -19.192 25.1767 TIMING: 2220000 CPU: 6434.95, 0.00288384/step Wall: 6434.95, 0.00288384/step, 2.22696 hours remaining, 209.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2220000 792.0011 2057.4529 1961.7150 97.9841 -205920.3667 17813.2841 0.0000 0.0000 34189.9534 -149007.9760 298.5894 -183197.9294 -148906.5960 299.3542 -99.5585 -62.4841 559656.2464 -2.3137 -2.0786 PRESSURE: 2220200 -164.949 -108.686 42.4513 -108.686 -237.99 -3.19107 42.4521 -3.18999 -101.839 GPRESSURE: 2220200 -143.443 -83.4509 -18.5901 -112.602 -192.218 -24.4408 69.2614 -12.0092 -69.2027 PRESSAVG: 2220200 -40.9173 -0.537131 18.6234 -0.537093 -19.3901 -7.1689 18.6233 -7.16894 35.8808 GPRESSAVG: 2220200 -40.3972 0.355953 15.9132 -0.63538 -20.7474 -6.66102 20.1975 -7.85737 36.5474 TIMING: 2220200 CPU: 6435.52, 0.00287924/step Wall: 6435.52, 0.00287924/step, 2.22325 hours remaining, 209.683594 MB of memory in use. ENERGY: 2220200 762.7007 2079.1100 1933.3223 118.9158 -205643.4922 17507.2928 0.0000 0.0000 34255.1036 -148987.0470 299.1583 -183242.1506 -148882.3757 299.4644 -168.2595 -134.9544 558470.4404 -8.1422 -8.1991 LDB: ============= START OF LOAD BALANCING ============== 6438.91 LDB: ============== END OF LOAD BALANCING =============== 6438.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6438.91 LDB: ============= START OF LOAD BALANCING ============== 6439.2 LDB: Largest compute 4820 load 0.027092 is 23.0% of average load 0.117894 LDB: Average compute 0.001733 is 1.5% of average load 0.117894 LDB: TIME 6439.2 LOAD: AVG 0.117894 MAX 0.17811 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.539 MB LDB: TIME 6439.2 LOAD: AVG 0.117894 MAX 0.17811 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.742 MB LDB: TIME 6439.2 LOAD: AVG 0.117894 MAX 0.17811 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6439.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6439.21 PRESSURE: 2220400 -15.9168 277.117 176.466 277.117 -219.963 -99.1787 176.466 -99.1781 -183.458 GPRESSURE: 2220400 8.80905 330.558 171.126 247.736 -169.133 -44.9051 199.843 -125.276 -157.053 PRESSAVG: 2220400 -3.46793 -4.83482 6.35027 -4.83481 31.5213 -11.2249 6.35021 -11.2249 -5.20763 GPRESSAVG: 2220400 -4.60082 -3.72732 6.98667 -5.62923 32.9364 -11.5051 6.73736 -9.44784 -5.8686 TIMING: 2220400 CPU: 6436.11, 0.00293198/step Wall: 6436.11, 0.00293198/step, 2.26382 hours remaining, 209.289062 MB of memory in use. ENERGY: 2220400 751.4266 2056.2835 1928.3991 113.6014 -206269.6849 17872.5113 0.0000 0.0000 34526.8537 -149020.6093 301.5316 -183547.4630 -148921.2826 299.9713 -139.7793 -105.7921 559350.1814 7.6152 7.4890 PRESSURE: 2220600 -27.9718 109.032 48.8318 109.032 -182.543 -49.1427 48.8322 -49.1429 -368.521 GPRESSURE: 2220600 -13.3966 139.583 51.6731 126.132 -161.722 -43.5967 65.2115 -37.0126 -305.127 PRESSAVG: 2220600 -34.5759 79.7032 8.32816 79.7032 29.1092 -20.1141 8.32818 -20.1141 6.79948 GPRESSAVG: 2220600 -35.2668 79.9779 8.52107 81.0561 30.274 -18.2495 8.6835 -25.1948 7.05387 TIMING: 2220600 CPU: 6436.68, 0.00286395/step Wall: 6436.68, 0.00286395/step, 2.21113 hours remaining, 209.289062 MB of memory in use. ENERGY: 2220600 768.3962 2057.8054 1967.5651 107.7795 -206184.5883 17717.8887 0.0000 0.0000 34541.4392 -149023.7142 301.6590 -183565.1534 -148926.0395 300.0322 -193.0120 -160.0819 557387.9094 0.4442 0.6870 PRESSURE: 2220800 -20.4539 -5.25914 -31.4257 -5.2598 -92.4521 100.372 -31.4266 100.372 -212.277 GPRESSURE: 2220800 -35.6673 86.9638 19.8079 -120.189 -72.9051 13.8935 -47.3627 188.073 -116.724 PRESSAVG: 2220800 19.6613 40.2421 6.57388 40.2422 -5.62497 -43.8568 6.57386 -43.8568 -42.6783 GPRESSAVG: 2220800 21.3439 37.9984 7.63445 40.915 -7.14288 -44.7297 5.10205 -40.4117 -42.382 TIMING: 2220800 CPU: 6437.26, 0.00287618/step Wall: 6437.26, 0.00287618/step, 2.22041 hours remaining, 209.289062 MB of memory in use. ENERGY: 2220800 746.0716 2113.4111 1923.4216 121.1353 -205703.3975 17626.7721 0.0000 0.0000 34160.5332 -149012.0526 298.3324 -183172.5858 -148918.7828 299.3615 -108.3942 -75.0989 559114.7353 -9.5474 -9.3937 PRESSURE: 2221000 -197.578 -151.661 -12.2003 -151.661 -243.07 25.2101 -12.2001 25.2105 -48.2106 GPRESSURE: 2221000 -180.726 -167.881 -16.1565 -81.3997 -181.28 1.62529 27.2959 -12.5482 -14.1489 PRESSAVG: 2221000 29.4509 -61.025 49.1623 -61.0251 -10.472 21.6149 49.1624 21.615 -11.2229 GPRESSAVG: 2221000 28.573 -60.5856 47.7864 -62.3781 -10.5949 20.0985 47.6795 22.1953 -9.67484 TIMING: 2221000 CPU: 6437.83, 0.00287542/step Wall: 6437.83, 0.00287542/step, 2.21967 hours remaining, 209.289062 MB of memory in use. ENERGY: 2221000 779.8545 2081.0440 1955.2780 120.6336 -205982.3633 17584.4600 0.0000 0.0000 34389.2644 -149071.8289 300.3300 -183461.0933 -148972.8504 299.9011 -162.9529 -125.3850 557466.4675 2.5853 2.7678 PRESSURE: 2221200 53.5619 -3.9371 -103.24 -3.93567 -72.0087 -39.4724 -103.24 -39.473 -140.898 GPRESSURE: 2221200 119.281 -105.778 -123.61 -13.1719 -112.212 -63.9619 -119.186 -35.9881 -81.5861 PRESSAVG: 2221200 11.123 -31.1738 4.13159 -31.1738 -53.9827 8.19879 4.13164 8.19877 26.8373 GPRESSAVG: 2221200 11.4245 -30.8008 5.74877 -31.13 -54.2729 10.8508 5.10377 6.07031 27.2928 TIMING: 2221200 CPU: 6438.41, 0.00288016/step Wall: 6438.41, 0.00288016/step, 2.22317 hours remaining, 209.289062 MB of memory in use. ENERGY: 2221200 718.4394 2043.3918 1957.0097 120.0728 -206089.8764 17764.1851 0.0000 0.0000 34332.0688 -149154.7089 299.8305 -183486.7776 -149059.6335 299.0574 -53.1150 -24.8389 558151.2788 -5.3408 -5.1852 PRESSURE: 2221400 60.442 -67.9673 135.935 -67.966 -96.0325 20.1858 135.934 20.1859 57.2697 GPRESSURE: 2221400 77.3165 -81.763 123.115 -91.0974 -79.3829 49.1283 89.8097 -2.42242 131.677 PRESSAVG: 2221400 7.46534 18.8319 -4.92115 18.8319 -29.5985 -15.2897 -4.92133 -15.2898 -15.1532 GPRESSAVG: 2221400 8.40601 19.2026 -6.20204 19.996 -29.8147 -15.8492 -4.64232 -16.6362 -15.1684 TIMING: 2221400 CPU: 6438.98, 0.00287323/step Wall: 6438.98, 0.00287323/step, 2.21765 hours remaining, 209.289062 MB of memory in use. ENERGY: 2221400 709.9349 2087.2038 1948.4579 128.3049 -206295.0926 17810.6723 0.0000 0.0000 34462.8273 -149147.6915 300.9724 -183610.5187 -149048.6230 299.1906 7.2264 43.2035 557508.4337 -12.4288 -12.1924 PRESSURE: 2221600 -112.445 -38.0614 -16.423 -38.0616 -155.214 -54.111 -16.4237 -54.1117 -119.441 GPRESSURE: 2221600 -41.8986 -1.30559 -58.1269 -55.7599 -117.242 -34.6926 -23.1786 -80.6582 -132.791 PRESSAVG: 2221600 19.4917 -46.0593 84.783 -46.0593 7.89834 -57.6009 84.7829 -57.6009 23.324 GPRESSAVG: 2221600 19.0826 -47.8308 83.4524 -47.4928 9.002 -57.3353 85.0133 -55.2888 22.1187 TIMING: 2221600 CPU: 6439.56, 0.00287336/step Wall: 6439.56, 0.00287336/step, 2.21759 hours remaining, 209.289062 MB of memory in use. ENERGY: 2221600 730.0559 2130.9231 1915.1383 112.5353 -206277.4291 17800.2006 0.0000 0.0000 34315.0056 -149273.5704 299.6815 -183588.5760 -149175.5899 299.6281 -129.0332 -97.3106 558344.2332 16.9047 16.7344 PRESSURE: 2221800 61.5757 -163.016 23.3224 -163.016 84.4008 18.8702 23.3224 18.8707 119.061 GPRESSURE: 2221800 92.8522 -142.874 38.8083 -120.576 130.26 0.179716 -18.8656 43.4018 127.216 PRESSAVG: 2221800 29.5554 -27.0138 -5.64415 -27.0138 -12.0654 18.7132 -5.64417 18.7132 -2.60387 GPRESSAVG: 2221800 29.4433 -23.3259 -4.45781 -27.9444 -11.6026 17.5415 -2.98624 17.4106 -3.38306 TIMING: 2221800 CPU: 6440.14, 0.00288919/step Wall: 6440.14, 0.00288919/step, 2.22965 hours remaining, 209.289062 MB of memory in use. ENERGY: 2221800 703.2407 2097.7531 1933.4226 123.4119 -206062.0775 17700.7032 0.0000 0.0000 34162.6766 -149340.8692 298.3512 -183503.5459 -149242.8614 299.0205 88.3459 116.7762 555654.2506 4.9620 4.8192 PRESSURE: 2222000 6.91486 53.7093 -79.4469 53.7083 -153.329 -46.483 -79.4468 -46.4817 -137.885 GPRESSURE: 2222000 50.7189 53.5607 -105.586 16.2778 -82.5137 -120.853 -64.9249 12.5958 -153.002 PRESSAVG: 2222000 92.2448 -0.654702 35.8817 -0.654639 -103.725 -46.4889 35.8817 -46.4888 13.0611 GPRESSAVG: 2222000 91.854 -2.72091 34.7502 0.89667 -102.973 -45.6217 34.5051 -46.057 12.8868 TIMING: 2222000 CPU: 6440.71, 0.00287976/step Wall: 6440.71, 0.00287976/step, 2.22222 hours remaining, 209.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2222000 737.7538 2123.0259 1951.5475 123.4661 -206265.6279 17867.2073 0.0000 0.0000 34134.9352 -149327.6921 298.1089 -183462.6273 -149232.4758 298.5927 -94.7664 -61.5991 558165.9198 0.5270 0.5892 PRESSURE: 2222200 -246.471 6.61555 -141.797 6.61544 -159.539 -46.6619 -141.799 -46.6617 -173.359 GPRESSURE: 2222200 -147.976 -55.6809 -179.322 -12.4051 -148.913 -44.7896 -79.7822 -50.1334 -181.768 PRESSAVG: 2222200 -2.57412 -2.83379 18.7785 -2.8338 -15.3555 1.0629 18.7784 1.06287 11.6355 GPRESSAVG: 2222200 -2.20419 -3.3782 19.0039 -2.97305 -15.06 -0.0132109 20.034 -0.587591 11.1268 TIMING: 2222200 CPU: 6441.29, 0.00286726/step Wall: 6441.29, 0.00286726/step, 2.21241 hours remaining, 209.492188 MB of memory in use. ENERGY: 2222200 777.5915 2065.0183 1949.0318 109.0286 -205858.0849 17485.8184 0.0000 0.0000 34185.5071 -149286.0892 298.5505 -183471.5962 -149188.6042 298.4573 -193.1230 -159.5524 557705.9927 -2.0980 -2.0458 PRESSURE: 2222400 5.48892 -102.179 45.4184 -102.179 79.5453 -133.338 45.4178 -133.337 -23.07 GPRESSURE: 2222400 83.4529 -50.5045 35.8705 -43.3112 99.9859 -201.775 87.1096 -168.78 -38.5724 PRESSAVG: 2222400 61.9042 30.7156 59.1333 30.7156 -43.6282 15.3827 59.1332 15.3827 -33.5495 GPRESSAVG: 2222400 60.8612 31.84 60.3948 30.0648 -44.2481 15.7308 57.8018 18.2865 -31.8985 TIMING: 2222400 CPU: 6441.86, 0.00288485/step Wall: 6441.86, 0.00288485/step, 2.22582 hours remaining, 209.492188 MB of memory in use. ENERGY: 2222400 729.7296 2060.4700 1934.0439 97.2501 -206294.4632 17777.6686 0.0000 0.0000 34354.3140 -149340.9873 300.0248 -183695.3012 -149247.1920 298.7942 20.6547 48.2888 557890.0369 -5.0912 -5.0951 PRESSURE: 2222600 -89.3714 -24.0989 -67.6653 -24.0978 29.6082 -140.906 -67.6653 -140.906 -160.49 GPRESSURE: 2222600 24.1634 -20.3107 -78.1866 29.9791 16.5005 -199.475 -26.2359 -124.83 -165.207 PRESSAVG: 2222600 44.8958 43.2618 9.00225 43.2619 -50.5169 23.2016 9.00229 23.2016 -21.9421 GPRESSAVG: 2222600 46.6117 44.7915 9.84774 43.3323 -51.1129 24.6636 8.16748 22.373 -22.2948 TIMING: 2222600 CPU: 6442.44, 0.00288833/step Wall: 6442.44, 0.00288833/step, 2.22835 hours remaining, 209.492188 MB of memory in use. ENERGY: 2222600 744.3259 2019.8364 1936.3769 104.6616 -205861.6812 17657.9976 0.0000 0.0000 34067.8219 -149330.6608 297.5228 -183398.4828 -149239.0769 298.4517 -73.4178 -41.5144 558077.3974 -9.1877 -8.9320 PRESSURE: 2222800 97.1049 -15.9327 53.0255 -15.9326 -62.047 198.061 53.0248 198.061 -29.8633 GPRESSURE: 2222800 71.65 -64.296 29.164 -3.18143 -4.69896 99.0344 165.405 227.542 23.583 PRESSAVG: 2222800 21.3194 33.5971 -13.9447 33.5971 -20.0927 28.9495 -13.9448 28.9495 -11.9773 GPRESSAVG: 2222800 20.4387 31.9213 -13.8173 34.1851 -19.6386 26.9793 -14.3049 27.9075 -11.0667 TIMING: 2222800 CPU: 6443.02, 0.00287921/step Wall: 6443.02, 0.00287921/step, 2.22115 hours remaining, 209.492188 MB of memory in use. ENERGY: 2222800 778.4724 2023.2626 1937.4623 122.4947 -206322.9174 17811.5566 0.0000 0.0000 34392.1686 -149257.5003 300.3554 -183649.6689 -149159.3606 299.0321 1.7315 30.1780 557599.7485 -3.5836 -3.4222 PRESSURE: 2223000 -324.323 -46.8339 -81.8679 -46.833 -204.687 8.23308 -81.8661 8.23306 -123.871 GPRESSURE: 2223000 -289.01 -167.908 -69.9931 8.29365 -182.642 67.9732 -158.978 -78.167 -82.7898 PRESSAVG: 2223000 -38.3172 -4.33799 -8.29593 -4.33794 13.8343 16.2953 -8.29586 16.2952 23.1851 GPRESSAVG: 2223000 -39.0372 -4.72872 -6.20273 -4.38646 15.7031 18.3859 -9.08558 17.6431 22.9682 TIMING: 2223000 CPU: 6443.59, 0.00288279/step Wall: 6443.59, 0.00288279/step, 2.22376 hours remaining, 209.492188 MB of memory in use. ENERGY: 2223000 775.1840 2077.8394 1962.1048 110.1513 -205953.3170 17545.4383 0.0000 0.0000 34410.7088 -149071.8905 300.5173 -183482.5993 -148982.9301 299.0255 -217.6273 -184.8141 557487.7915 -0.4326 -0.1220 PRESSURE: 2223200 93.9332 104.212 63.0039 104.213 261.276 53.6588 63.0048 53.6589 255.035 GPRESSURE: 2223200 116.052 149.154 -26.7958 143.38 240.135 64.9751 124.56 42.819 348.25 PRESSAVG: 2223200 5.88168 17.0129 -31.4488 17.0129 -11.4653 10.7362 -31.449 10.736 -10.1461 GPRESSAVG: 2223200 6.77595 17.0122 -33.7569 17.2504 -13.7944 10.6165 -29.6807 10.4276 -9.03326 TIMING: 2223200 CPU: 6444.17, 0.00288984/step Wall: 6444.17, 0.00288983/step, 2.22903 hours remaining, 209.492188 MB of memory in use. ENERGY: 2223200 726.8042 2144.1164 1947.2902 134.6605 -206325.5169 18040.0971 0.0000 0.0000 34309.0884 -149023.4602 299.6298 -183332.5485 -148930.3974 299.9448 203.4147 234.8124 557596.4857 -5.2432 -5.3506 PRESSURE: 2223400 48.8459 80.8274 106.92 80.8259 -216.325 64.1681 106.919 64.1671 -37.0307 GPRESSURE: 2223400 55.7023 146.496 62.8913 154.475 -183.683 53.9602 51.3935 102.446 23.9724 PRESSAVG: 2223400 -10.8383 -1.05444 11.0243 -1.05447 -26.3536 12.7281 11.0243 12.7282 -22.1278 GPRESSAVG: 2223400 -11.3752 -1.19026 8.99388 0.197205 -25.6882 13.198 8.92024 12.6456 -22.1327 TIMING: 2223400 CPU: 6444.75, 0.00288178/step Wall: 6444.75, 0.00288178/step, 2.22266 hours remaining, 209.492188 MB of memory in use. ENERGY: 2223400 763.4500 2127.9140 1972.5896 117.6464 -205817.2125 17586.4286 0.0000 0.0000 34376.7636 -148872.4202 300.2208 -183249.1839 -148779.4949 299.7779 -68.1699 -34.6696 556800.9389 -19.7732 -19.7320 PRESSURE: 2223600 -292.952 59.3098 73.8701 59.3097 -89.1461 -204.54 73.8695 -204.541 112.902 GPRESSURE: 2223600 -244.996 -10.4183 72.7533 48.2317 -117.747 -104.545 14.298 -209.249 192.73 PRESSAVG: 2223600 -42.0017 -45.2971 -2.75632 -45.297 20.8817 -7.7032 -2.7564 -7.70327 44.5446 GPRESSAVG: 2223600 -41.186 -45.7902 -1.44073 -45.6339 21.0622 -6.72279 -1.65569 -7.86855 43.901 TIMING: 2223600 CPU: 6445.32, 0.00286771/step Wall: 6445.32, 0.00286771/step, 2.21164 hours remaining, 209.492188 MB of memory in use. ENERGY: 2223600 760.3678 2149.5416 1961.3320 120.3515 -205893.6316 17637.8506 0.0000 0.0000 34448.5226 -148815.6654 300.8475 -183264.1880 -148722.0487 300.6887 -89.7322 -56.6712 558171.1602 7.8082 7.9257 PRESSURE: 2223800 -113.051 -120.506 142.065 -120.505 -227.443 -113.61 142.065 -113.61 -66.3751 GPRESSURE: 2223800 -86.7522 -56.3966 147.171 -166.497 -230.298 -81.4232 103.673 -124.597 14.0532 PRESSAVG: 2223800 -31.499 3.55306 10.0251 3.55302 43.2574 -78.9084 10.0249 -78.9084 -39.1689 GPRESSAVG: 2223800 -32.2871 4.3294 11.6222 3.31149 43.5602 -81.7315 8.6318 -79.2312 -39.1229 TIMING: 2223800 CPU: 6445.9, 0.00287163/step Wall: 6445.9, 0.00287163/step, 2.2145 hours remaining, 209.492188 MB of memory in use. ENERGY: 2223800 747.6053 2086.0553 1954.3548 112.4651 -205847.9192 17565.6174 0.0000 0.0000 34536.4022 -148845.4191 301.6150 -183381.8213 -148745.4275 301.2952 -135.6227 -100.9991 558197.4787 -9.1368 -9.2833 PRESSURE: 2224000 215.217 -147.301 15.7321 -147.301 -1.08667 124.452 15.7332 124.452 -54.2331 GPRESSURE: 2224000 194.634 -127.719 16.0417 -200.171 20.9904 42.5189 -9.79709 61.7609 44.5782 PRESSAVG: 2224000 41.7826 27.319 34.9875 27.3191 -24.4949 -32.7897 34.9874 -32.7897 17.7264 GPRESSAVG: 2224000 42.8259 28.5206 32.2081 26.3818 -25.2992 -32.4401 36.4061 -33.443 18.0669 TIMING: 2224000 CPU: 6446.47, 0.00287415/step Wall: 6446.47, 0.00287415/step, 2.21629 hours remaining, 209.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2224000 792.5348 2102.2988 1938.0290 126.8072 -206355.1941 17863.5096 0.0000 0.0000 34690.9999 -148841.0149 302.9651 -183532.0148 -148748.1618 301.0074 53.2990 86.7342 557246.5193 11.6714 11.8645 PRESSURE: 2224200 -167.033 -82.8347 71.7994 -82.8355 200.688 42.8965 71.7995 42.8952 -164.647 GPRESSURE: 2224200 -95.3728 -71.8175 114.893 -120.746 194.638 53.9053 28.5449 14.8989 -125.172 PRESSAVG: 2224200 8.49544 8.46591 -18.3248 8.46589 -11.914 -25.4797 -18.3247 -25.4796 -17.8998 GPRESSAVG: 2224200 8.38008 7.68144 -17.636 8.51583 -11.5553 -26.19 -19.6385 -25.6518 -18.4566 TIMING: 2224200 CPU: 6447.04, 0.00287128/step Wall: 6447.04, 0.00287128/step, 2.21391 hours remaining, 209.492188 MB of memory in use. ENERGY: 2224200 769.5546 2083.4153 1947.2884 114.2841 -205954.0551 17781.7794 0.0000 0.0000 34226.0385 -149031.6948 298.9045 -183257.7333 -148939.0637 300.8136 -43.6642 -8.6355 558243.2395 -7.1061 -7.2106 LDB: ============= START OF LOAD BALANCING ============== 6450.43 LDB: ============== END OF LOAD BALANCING =============== 6450.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6450.43 LDB: ============= START OF LOAD BALANCING ============== 6450.71 LDB: Largest compute 4820 load 0.026718 is 22.7% of average load 0.117947 LDB: Average compute 0.001736 is 1.5% of average load 0.117947 LDB: TIME 6450.72 LOAD: AVG 0.117947 MAX 0.178895 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.91 MB LDB: TIME 6450.72 LOAD: AVG 0.117947 MAX 0.178895 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.152 MB LDB: TIME 6450.72 LOAD: AVG 0.117947 MAX 0.178895 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6450.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6450.72 PRESSURE: 2224400 93.4302 19.1203 -119.498 19.1196 -236.382 -82.1088 -119.498 -82.1079 41.6408 GPRESSURE: 2224400 110.679 -17.9654 -61.1352 1.37927 -193.524 -123.955 -58.2085 -38.0349 86.1077 PRESSAVG: 2224400 21.334 0.64984 12.1394 0.649895 -7.21852 -10.0096 12.1394 -10.0096 9.46113 GPRESSAVG: 2224400 20.933 -0.987792 13.5785 1.11374 -6.19054 -8.06015 12.1338 -9.70106 8.96987 TIMING: 2224400 CPU: 6447.63, 0.00291509/step Wall: 6447.63, 0.00291509/step, 2.24753 hours remaining, 208.218750 MB of memory in use. ENERGY: 2224400 755.2404 2094.4929 1942.2282 100.8033 -206411.9169 17882.6761 0.0000 0.0000 34383.6501 -149252.8257 300.2810 -183636.4758 -149158.5440 299.7252 -33.7702 1.0876 557842.5019 7.8589 7.9041 PRESSURE: 2224600 -302.767 2.42423 -106.55 2.42457 81.9349 -24.2634 -106.548 -24.2629 -328.411 GPRESSURE: 2224600 -267.43 88.9966 -73.6215 -43.9152 109.498 -92.2129 -173.152 -36.2485 -296.305 PRESSAVG: 2224600 -3.74399 -30.1491 -24.0184 -30.1492 -1.15955 -10.273 -24.0184 -10.273 -3.78171 GPRESSAVG: 2224600 -3.7625 -29.3285 -26.238 -29.9541 -2.6654 -12.5347 -22.1702 -7.51271 -2.42436 TIMING: 2224600 CPU: 6448.2, 0.0028754/step Wall: 6448.2, 0.0028754/step, 2.21678 hours remaining, 208.218750 MB of memory in use. ENERGY: 2224600 764.7480 2070.7291 1952.7297 121.1261 -205990.9762 17545.6789 0.0000 0.0000 34208.3901 -149327.5743 298.7504 -183535.9644 -149230.2192 299.3511 -183.0812 -151.4124 557275.5760 -2.8951 -2.9508 PRESSURE: 2224800 -60.278 32.5044 39.1702 32.5049 -77.8265 -82.9015 39.1702 -82.9014 44.623 GPRESSURE: 2224800 -53.3108 62.7946 -55.0697 53.0914 -41.0755 -89.8991 79.1892 -32.5564 93.9829 PRESSAVG: 2224800 9.37597 -22.5083 -52.564 -22.5083 27.6661 -54.537 -52.564 -54.537 -36.2666 GPRESSAVG: 2224800 9.60217 -22.9102 -50.4051 -24.3237 28.0701 -54.4301 -52.8894 -53.3421 -36.607 TIMING: 2224800 CPU: 6448.78, 0.00287121/step Wall: 6448.78, 0.00287121/step, 2.21338 hours remaining, 208.218750 MB of memory in use. ENERGY: 2224800 763.6231 2107.6184 1963.1414 120.1874 -206198.9947 17837.9286 0.0000 0.0000 34369.7619 -149036.7341 300.1597 -183406.4960 -148936.0600 299.5738 -31.1605 -0.1345 556743.7556 0.2585 0.3551 PRESSURE: 2225000 132.042 47.3614 104.748 47.3608 112.193 -6.47737 104.748 -6.47694 -148.637 GPRESSURE: 2225000 154.023 16.7801 95.6646 -14.3511 143.314 -89.1095 82.9368 71.2517 -103.362 PRESSAVG: 2225000 -24.8945 -41.4305 75.1267 -41.4305 22.6477 10.4134 75.1266 10.4133 17.7311 GPRESSAVG: 2225000 -25.3377 -40.518 75.1096 -40.7983 22.9978 12.1785 75.0724 9.76215 17.7357 TIMING: 2225000 CPU: 6449.35, 0.00287955/step Wall: 6449.35, 0.00287955/step, 2.21965 hours remaining, 208.218750 MB of memory in use. ENERGY: 2225000 747.4310 2111.9520 1968.5697 120.8192 -206119.7695 17902.0724 0.0000 0.0000 34306.7491 -148962.1760 299.6094 -183268.9252 -148864.8462 299.9183 31.8657 64.6587 557296.7084 5.1614 5.1319 PRESSURE: 2225200 -42.7962 120.033 93.1718 120.034 -65.7165 -14.6284 93.1726 -14.6285 81.6683 GPRESSURE: 2225200 -4.86172 117.246 203.789 103.167 -28.1895 -30.8617 -14.5876 -68.7087 95.0564 PRESSAVG: 2225200 -64.5914 -35.62 8.98337 -35.6199 31.2274 18.5649 8.98336 18.5649 49.1001 GPRESSAVG: 2225200 -63.9236 -35.314 9.88655 -34.7366 29.9539 15.5379 9.71697 17.9407 49.3692 TIMING: 2225200 CPU: 6449.93, 0.00287409/step Wall: 6449.93, 0.00287409/step, 2.21529 hours remaining, 208.218750 MB of memory in use. ENERGY: 2225200 746.7171 2104.3181 1961.0631 103.9497 -205708.9827 17630.7677 0.0000 0.0000 34105.1116 -149057.0554 297.8484 -183162.1670 -148963.1243 299.3639 -8.9481 20.6684 556048.6249 5.2454 5.1332 PRESSURE: 2225400 209.562 -9.6637 -119.969 -9.66434 -87.9152 58.7378 -119.969 58.7372 -17.0908 GPRESSURE: 2225400 293.969 14.7735 -22.858 -3.9989 -106.453 98.266 -90.6887 89.0048 24.6721 PRESSAVG: 2225400 5.37703 -72.04 -20.7293 -72.0401 -55 11.2697 -20.7292 11.2695 46.9276 GPRESSAVG: 2225400 6.05992 -72.3204 -23.131 -72.7592 -54.1533 12.638 -21.3307 11.6499 45.7246 TIMING: 2225400 CPU: 6450.5, 0.00288174/step Wall: 6450.5, 0.00288174/step, 2.22102 hours remaining, 208.218750 MB of memory in use. ENERGY: 2225400 755.8379 2050.3141 1949.4253 112.5840 -206008.9169 17864.2260 0.0000 0.0000 34322.5957 -148953.9339 299.7478 -183276.5296 -148861.4230 299.9892 34.8519 70.7295 556705.0952 -0.8985 -0.7896 PRESSURE: 2225600 59.6644 93.4948 -58.9575 93.4945 -103.897 209.204 -58.958 209.203 17.7933 GPRESSURE: 2225600 72.8316 7.43963 -1.27506 62.3972 -67.9667 271.95 -43.8298 129.16 66.7968 PRESSAVG: 2225600 3.27392 11.9201 -1.57414 11.9202 -29.2489 -24.0214 -1.57416 -24.0213 -4.22905 GPRESSAVG: 2225600 2.34029 10.7799 -2.58766 13.6138 -29.0638 -24.7935 0.206563 -25.775 -3.28091 TIMING: 2225600 CPU: 6451.08, 0.00287935/step Wall: 6451.08, 0.00287935/step, 2.21902 hours remaining, 208.218750 MB of memory in use. ENERGY: 2225600 777.1641 2095.8042 1947.4089 115.7854 -206330.3990 17814.2149 0.0000 0.0000 34571.6890 -149008.3326 301.9232 -183580.0216 -148910.7675 299.7316 -8.8131 23.8872 554964.2799 -10.0680 -10.0015 PRESSURE: 2225800 29.9235 -26.3481 132.067 -26.3485 41.8526 23.1798 132.067 23.1799 278.385 GPRESSURE: 2225800 32.9994 -4.0125 40.3447 78.0266 65.4144 34.6032 172.107 63.6356 332.839 PRESSAVG: 2225800 -56.0244 13.7482 41.9354 13.7483 42.211 -38.3005 41.9354 -38.3004 -33.3723 GPRESSAVG: 2225800 -56.1749 14.1366 43.8848 14.2676 42.1442 -36.4369 38.8864 -36.4735 -33.3419 TIMING: 2225800 CPU: 6451.66, 0.00289288/step Wall: 6451.66, 0.00289288/step, 2.22929 hours remaining, 208.218750 MB of memory in use. ENERGY: 2225800 761.7065 2132.6554 1936.8798 125.6316 -206289.5931 17938.1086 0.0000 0.0000 34228.8061 -149165.8050 298.9287 -183394.6111 -149075.6029 300.0880 116.7205 143.7511 556372.8719 -15.7286 -15.7909 PRESSURE: 2226000 7.42771 -11.1654 -25.6596 -11.1662 261.223 180.525 -25.6597 180.524 31.8686 GPRESSURE: 2226000 51.2261 -97.186 -60.0686 36.2334 270.976 168.512 -34.3474 162.107 88.0213 PRESSAVG: 2226000 -8.46456 -68.3177 79.0891 -68.3177 -11.4046 91.1688 79.0891 91.1688 34.2095 GPRESSAVG: 2226000 -7.81064 -67.4412 79.1448 -70.151 -11.8488 91.4152 79.9427 89.5271 34.4854 TIMING: 2226000 CPU: 6452.24, 0.00289888/step Wall: 6452.24, 0.00289888/step, 2.23375 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2226000 742.3330 2056.3284 1946.8965 111.8070 -206451.0493 18005.9574 0.0000 0.0000 34164.1937 -149423.5332 298.3644 -183587.7269 -149322.6943 299.4890 100.1731 136.7412 556578.9582 4.7801 4.9420 PRESSURE: 2226200 -101.115 -133.075 -67.9587 -133.075 162.301 3.77192 -67.9604 3.7711 125.398 GPRESSURE: 2226200 -26.593 -98.7718 -149.981 -173.992 159.095 -48.5997 -80.5242 50.205 157.47 PRESSAVG: 2226200 -28.961 -31.0398 53.7499 -31.0399 75.3413 49.7506 53.7498 49.7506 -38.9588 GPRESSAVG: 2226200 -29.1128 -31.002 52.0742 -32.0095 75.938 47.7068 56.095 51.9 -39.2912 TIMING: 2226200 CPU: 6452.82, 0.00289169/step Wall: 6452.82, 0.00289169/step, 2.22805 hours remaining, 208.218750 MB of memory in use. ENERGY: 2226200 715.7817 2072.7948 1965.1628 118.1973 -206062.0504 17750.1679 0.0000 0.0000 34137.1465 -149302.7995 298.1282 -183439.9460 -149203.3987 298.8394 62.1948 96.6573 556969.6099 2.4738 2.5114 PRESSURE: 2226400 301.11 44.4007 111.398 44.4007 -246.682 -129.119 111.397 -129.119 223.635 GPRESSURE: 2226400 377.105 -34.3887 106.464 106.495 -160.045 -95.7785 163.401 -110.12 154.902 PRESSAVG: 2226400 -7.13383 -1.472 27.9299 -1.47195 -13.3958 49.9592 27.9299 49.959 -5.54797 GPRESSAVG: 2226400 -8.17833 -1.91436 28.0847 0.337484 -12.9183 54.19 26.8236 47.253 -5.50401 TIMING: 2226400 CPU: 6453.39, 0.00288841/step Wall: 6453.39, 0.00288841/step, 2.22536 hours remaining, 208.218750 MB of memory in use. ENERGY: 2226400 747.2074 2048.2209 1963.1733 108.6530 -206330.6020 17985.8364 0.0000 0.0000 34256.3037 -149221.2071 299.1688 -183477.5109 -149116.8798 298.7392 92.6877 123.9874 556418.7520 -8.6925 -8.8669 PRESSURE: 2226600 58.7392 -189.633 40.3431 -189.632 -114.777 53.8963 40.3442 53.8971 -99.4937 GPRESSURE: 2226600 86.2692 -173.674 34.6709 -179.565 -49.6386 -45.164 20.0617 78.4592 -103.732 PRESSAVG: 2226600 67.892 -5.89867 16.7651 -5.89859 -40.2964 -20.6514 16.7651 -20.6515 -13.329 GPRESSAVG: 2226600 68.4123 -3.94746 15.4328 -7.00425 -41.2817 -24.923 15.7327 -18.951 -12.8522 TIMING: 2226600 CPU: 6453.97, 0.00285846/step Wall: 6453.97, 0.00285846/step, 2.20212 hours remaining, 208.218750 MB of memory in use. ENERGY: 2226600 731.5140 2119.0584 1975.0788 120.7172 -206406.2668 17707.8132 0.0000 0.0000 34394.2757 -149357.8094 300.3738 -183752.0851 -149259.0767 299.4719 -51.8438 -22.3672 557146.1278 4.7555 4.7595 PRESSURE: 2226800 177.122 5.49764 139.323 5.49839 240.628 -34.8017 139.325 -34.8031 -32.9778 GPRESSURE: 2226800 214.957 73.6477 160.654 4.17881 265.049 -34.4959 171.728 -43.8384 3.12433 PRESSAVG: 2226800 -14.3676 3.59741 50.8423 3.5973 15.5795 -15.8863 50.8423 -15.8863 -23.2375 GPRESSAVG: 2226800 -15.1069 1.39955 52.6576 3.33603 16.2065 -13.3629 51.0362 -17.1505 -23.0912 TIMING: 2226800 CPU: 6454.54, 0.00287023/step Wall: 6454.54, 0.00287023/step, 2.21103 hours remaining, 208.218750 MB of memory in use. ENERGY: 2226800 754.1233 2042.9779 1987.5370 123.1491 -206419.3443 18046.3326 0.0000 0.0000 34190.9060 -149274.3184 298.5977 -183465.2244 -149171.3418 299.7907 128.2574 161.0437 557435.1436 -7.3419 -7.3306 PRESSURE: 2227000 52.6638 -76.9754 7.897 -76.9753 9.08093 0.239007 7.89654 0.239454 -248.901 GPRESSURE: 2227000 57.4268 -163.965 -28.7829 4.50384 17.2114 16.6517 -18.7409 -31.2624 -168.245 PRESSAVG: 2227000 12.7974 -32.9792 53.0115 -32.9793 92.3849 -54.4182 53.0117 -54.4184 -103.584 GPRESSAVG: 2227000 13.4075 -32.024 53.025 -33.1478 91.4605 -55.8248 52.0344 -52.6225 -103.256 TIMING: 2227000 CPU: 6455.11, 0.00286468/step Wall: 6455.11, 0.00286468/step, 2.2066 hours remaining, 208.226562 MB of memory in use. ENERGY: 2227000 721.3405 2084.7408 1973.3257 112.6208 -206260.3959 17746.6747 0.0000 0.0000 34326.2021 -149295.4913 299.7793 -183621.6934 -149193.9838 299.2968 -62.3855 -31.2021 556531.9581 0.5327 0.5373 PRESSURE: 2227200 -68.1932 -71.3031 -53.0652 -71.3048 -74.3888 79.3889 -53.0659 79.3877 -11.1952 GPRESSURE: 2227200 18.8966 -38.3048 -137.396 -40.1404 -65.0643 4.71527 33.8286 93.4849 0.623955 PRESSAVG: 2227200 24.1765 -22.4375 -5.67357 -22.4374 -73.0446 20.7542 -5.67362 20.7542 37.7049 GPRESSAVG: 2227200 23.9043 -22.9316 -6.78135 -22.145 -73.2763 23.0857 -4.40537 20.9426 37.7714 TIMING: 2227200 CPU: 6455.69, 0.00287413/step Wall: 6455.69, 0.00287413/step, 2.21372 hours remaining, 208.226562 MB of memory in use. ENERGY: 2227200 726.1451 2112.7512 1932.4680 107.6573 -206222.9144 17789.2499 0.0000 0.0000 34469.4716 -149085.1713 301.0305 -183554.6429 -148982.6593 299.4636 -51.2591 -15.1813 557163.2076 -3.7211 -3.8669 PRESSURE: 2227400 -49.2375 -31.7355 -137.552 -31.7361 -41.4858 51.9929 -137.551 51.9915 162.5 GPRESSURE: 2227400 5.66538 -65.8607 -87.876 -39.2024 13.5321 62.5534 -115.111 64.8148 147.716 PRESSAVG: 2227400 3.6561 6.85979 -17.1207 6.85973 9.24222 38.586 -17.1207 38.5859 -20.2547 GPRESSAVG: 2227400 2.45886 7.34781 -14.537 7.60884 10.8556 37.4365 -18.1623 37.9668 -21.665 TIMING: 2227400 CPU: 6456.26, 0.00288376/step Wall: 6456.26, 0.00288376/step, 2.22097 hours remaining, 208.226562 MB of memory in use. ENERGY: 2227400 743.2409 2118.1779 1971.8547 112.8301 -206195.4445 17708.2632 0.0000 0.0000 34466.9930 -149074.0847 301.0088 -183541.0777 -148984.2584 300.2899 23.9257 55.6378 556399.6605 -2.4521 -2.7835 PRESSURE: 2227600 -167.944 -33.316 -143.63 -33.3174 -100.073 58.0822 -143.629 58.0828 -204.575 GPRESSURE: 2227600 -157.397 63.467 -160.887 -85.3387 -37.5751 61.374 -96.5115 37.8382 -173.385 PRESSAVG: 2227600 -11.6754 -32.683 4.8676 -32.683 -29.9877 55.2874 4.86757 55.2876 22.1849 GPRESSAVG: 2227600 -11.3996 -30.9149 3.86872 -33.7081 -30.7198 55.9592 5.20963 54.4826 23.0885 TIMING: 2227600 CPU: 6456.84, 0.0028751/step Wall: 6456.84, 0.0028751/step, 2.21415 hours remaining, 208.226562 MB of memory in use. ENERGY: 2227600 757.0835 2092.5265 1974.0671 132.6411 -205621.3038 17329.6698 0.0000 0.0000 34376.0818 -148959.2338 300.2149 -183335.3156 -148859.0480 300.2439 -157.5306 -122.7858 556909.6446 -6.4927 -6.3436 PRESSURE: 2227800 229.352 -25.8325 -36.4224 -25.8326 279.545 -143.728 -36.4233 -143.727 -16.7933 GPRESSURE: 2227800 253.694 -1.83867 -27.1537 -6.84834 332.688 -126.182 -48.3024 -151.718 10.715 PRESSAVG: 2227800 -52.4511 39.1692 85.7648 39.1692 34.0499 67.9651 85.7648 67.965 23.2731 GPRESSAVG: 2227800 -51.5894 37.5807 86.3142 39.6913 34.1123 66.5365 84.1305 70.2038 22.148 TIMING: 2227800 CPU: 6457.42, 0.00289429/step Wall: 6457.42, 0.00289429/step, 2.22876 hours remaining, 208.226562 MB of memory in use. ENERGY: 2227800 749.5256 2092.8977 1957.2847 111.7087 -206111.8183 17985.1803 0.0000 0.0000 34231.5392 -148983.6820 298.9525 -183215.2212 -148885.4624 300.0291 164.0343 199.0325 557237.2501 1.6239 1.5570 PRESSURE: 2228000 239.096 -111.493 256.218 -111.494 -43.6528 -53.5627 256.219 -53.5615 -104.866 GPRESSURE: 2228000 301.457 -139.164 270.836 -117.878 -8.67101 -77.7367 179.945 -92.2092 -103.607 PRESSAVG: 2228000 -29.1903 -41.4784 8.20498 -41.4785 27.2162 1.47207 8.205 1.47204 -11.9885 GPRESSAVG: 2228000 -29.0735 -42.0164 7.39937 -42.4656 26.7973 0.820735 7.67913 0.805128 -11.3966 TIMING: 2228000 CPU: 6457.99, 0.00288421/step Wall: 6457.99, 0.00288421/step, 2.22084 hours remaining, 208.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2228000 742.7538 2105.1442 1969.4817 101.1912 -206198.8432 17857.7755 0.0000 0.0000 34434.0278 -148988.4690 300.7209 -183422.4969 -148891.3490 300.5819 30.1924 63.0597 557567.9223 -4.6542 -4.5576 PRESSURE: 2228200 -189.126 -32.7698 -29.6625 -32.7706 -186.001 -34.5965 -29.6633 -34.5956 57.2386 GPRESSURE: 2228200 -189.214 28.499 11.0157 -65.9207 -122.228 -9.13874 -36.5243 -27.0044 92.9025 PRESSAVG: 2228200 -1.97871 -30.4341 9.36783 -30.4341 45.6575 -42.4649 9.36781 -42.4647 -59.5485 GPRESSAVG: 2228200 -3.54335 -33.5189 8.63786 -28.5758 45.6428 -39.1186 11.1179 -43.3217 -58.8132 TIMING: 2228200 CPU: 6458.57, 0.00288147/step Wall: 6458.57, 0.00288147/step, 2.21857 hours remaining, 208.226562 MB of memory in use. ENERGY: 2228200 737.6146 2073.3418 1968.8402 125.3609 -206046.0837 17647.6220 0.0000 0.0000 34349.8792 -149143.4250 299.9860 -183493.3042 -149050.8535 300.3394 -105.9628 -72.8464 558157.8573 -5.2899 -5.5712 LDB: ============= START OF LOAD BALANCING ============== 6461.95 LDB: ============== END OF LOAD BALANCING =============== 6461.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6461.95 LDB: ============= START OF LOAD BALANCING ============== 6462.24 LDB: Largest compute 4820 load 0.025542 is 21.7% of average load 0.117914 LDB: Average compute 0.001738 is 1.5% of average load 0.117914 LDB: TIME 6462.25 LOAD: AVG 0.117914 MAX 0.179452 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.277 MB LDB: TIME 6462.25 LOAD: AVG 0.117914 MAX 0.179452 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: TIME 6462.25 LOAD: AVG 0.117914 MAX 0.179452 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6462.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6462.25 PRESSURE: 2228400 -173.906 -63.2796 56.4993 -63.2779 -135.654 -90.0279 56.4987 -90.0273 -163.137 GPRESSURE: 2228400 -139.553 -77.0495 133.752 13.7781 -57.2623 -100.52 -17.4767 -179.101 -156.833 PRESSAVG: 2228400 5.11102 71.3666 -9.48157 71.3665 47.1066 10.2013 -9.48169 10.2012 2.85437 GPRESSAVG: 2228400 5.01853 75.8015 -8.39914 69.0183 48.4786 9.75532 -10.5924 10.4407 1.65052 TIMING: 2228400 CPU: 6459.16, 0.00292929/step Wall: 6459.16, 0.00292929/step, 2.25523 hours remaining, 208.507812 MB of memory in use. ENERGY: 2228400 735.7347 2072.2341 1977.5919 115.9509 -205765.5915 17516.0967 0.0000 0.0000 34046.7969 -149301.1862 297.3391 -183347.9831 -149199.8892 299.4091 -157.5657 -117.8828 558402.9414 18.3573 18.3825 PRESSURE: 2228600 -87.3929 39.375 -25.8975 39.3743 149.298 -213.199 -25.8971 -213.198 -227.747 GPRESSURE: 2228600 -69.5545 120.914 -91.568 -23.791 137.833 -157.425 -53.522 -186.837 -131.474 PRESSAVG: 2228600 5.29924 -18.7703 -17.6542 -18.7704 -26.4065 -48.7624 -17.6542 -48.7624 47.1667 GPRESSAVG: 2228600 6.34999 -19.4075 -18.1299 -18.2227 -28.4095 -50.9231 -17.5422 -49.367 48.3303 TIMING: 2228600 CPU: 6459.74, 0.00289797/step Wall: 6459.74, 0.00289797/step, 2.23096 hours remaining, 208.507812 MB of memory in use. ENERGY: 2228600 753.1174 2125.2491 1958.2003 112.0818 -206080.5398 17693.8936 0.0000 0.0000 34183.6037 -149254.3939 298.5339 -183437.9976 -149158.6892 298.9928 -55.2807 -21.0654 557939.6681 8.6865 8.7569 PRESSURE: 2228800 -298.562 -127.989 -19.5302 -127.989 -257.975 4.51546 -19.5298 4.5188 -160.16 GPRESSURE: 2228800 -314.215 -51.9883 -81.81 -61.1257 -206.155 -10.9358 97.6346 -21.9427 -109.89 PRESSAVG: 2228800 -3.36216 9.87798 23.2144 9.87795 -16.2964 -47.2925 23.2143 -47.2925 -40.4936 GPRESSAVG: 2228800 -3.14866 9.52158 24.0047 10.2498 -15.1308 -45.1942 22.7491 -47.9211 -41.9303 TIMING: 2228800 CPU: 6460.31, 0.0028835/step Wall: 6460.31, 0.0028835/step, 2.21965 hours remaining, 208.507812 MB of memory in use. ENERGY: 2228800 757.7315 2115.2388 1947.3522 121.4689 -205935.4045 17530.3773 0.0000 0.0000 34106.5959 -149356.6400 297.8614 -183463.2359 -149266.0601 298.9571 -238.8990 -210.0868 557149.1170 -20.0507 -20.0699 PRESSURE: 2229000 11.9064 -139.577 68.0611 -139.578 45.1966 -115.653 68.0616 -115.652 49.7596 GPRESSURE: 2229000 9.54336 -65.9518 120.543 -96.5992 44.5185 -52.9651 71.578 -138.392 136.844 PRESSAVG: 2229000 -76.7444 15.4794 -31.8258 15.4794 29.7252 -67.3519 -31.8257 -67.3518 27.8207 GPRESSAVG: 2229000 -76.379 15.4257 -31.9268 15.4413 28.6408 -68.6221 -30.7723 -67.0351 28.3487 TIMING: 2229000 CPU: 6460.89, 0.0028803/step Wall: 6460.89, 0.0028803/step, 2.21703 hours remaining, 208.742188 MB of memory in use. ENERGY: 2229000 747.9021 2067.0901 1932.3502 110.9477 -206301.3478 18024.2412 0.0000 0.0000 34301.5811 -149117.2353 299.5642 -183418.8164 -149027.0488 299.0130 35.6209 63.6353 558139.3411 -6.3995 -6.4631 PRESSURE: 2229200 -34.834 -27.594 143.902 -27.5935 -246.507 14.5186 143.901 14.5178 -90.0294 GPRESSURE: 2229200 -14.9318 -55.7145 208.169 -1.974 -226.05 -50.9299 76.0142 28.8208 -33.8647 PRESSAVG: 2229200 69.2798 -4.77964 27.7588 -4.77969 -59.5739 -21.1314 27.7587 -21.1314 14.8444 GPRESSAVG: 2229200 68.5128 -5.28512 26.6447 -2.80295 -58.4197 -20.2579 29.2646 -21.319 14.1859 TIMING: 2229200 CPU: 6461.47, 0.00287894/step Wall: 6461.47, 0.00287894/step, 2.21582 hours remaining, 208.742188 MB of memory in use. ENERGY: 2229200 789.7222 2051.8414 1938.5873 109.6986 -206142.8391 17727.8219 0.0000 0.0000 34328.2181 -149196.9495 299.7969 -183525.1676 -149099.0456 299.0899 -123.7901 -91.6157 557731.9460 8.1834 8.0930 PRESSURE: 2229400 -288.135 -116.432 -57.8659 -116.432 -189.089 20.5493 -57.866 20.5492 -150.989 GPRESSURE: 2229400 -268.973 -124.211 -79.0416 -193.117 -81.2167 12.3208 15.0526 -10.1743 -175.107 PRESSAVG: 2229400 -28.6434 -13.1883 -11.33 -13.1884 33.738 -46.6139 -11.3301 -46.614 -58.4132 GPRESSAVG: 2229400 -29.1821 -13.5945 -10.6653 -14.5001 33.3289 -46.6177 -11.8028 -44.8634 -57.7434 TIMING: 2229400 CPU: 6462.04, 0.00289541/step Wall: 6462.04, 0.00289541/step, 2.22834 hours remaining, 208.742188 MB of memory in use. ENERGY: 2229400 765.2644 2063.1273 1947.9130 113.7710 -205802.9053 17490.4320 0.0000 0.0000 34343.2820 -149079.1157 299.9284 -183422.3976 -148983.9944 299.5624 -209.4042 -175.0987 558407.8831 -17.7729 -17.8656 PRESSURE: 2229600 -225.107 -188.325 0.136067 -188.325 -19.9297 -25.5643 0.137575 -25.5653 -195.005 GPRESSURE: 2229600 -176.672 -205.497 -63.8919 -162.32 50.9222 24.4507 -1.14291 -116.429 -208.833 PRESSAVG: 2229600 9.87624 6.34948 -26.5304 6.3495 12.769 -22.7798 -26.5303 -22.7796 23.3983 GPRESSAVG: 2229600 10.834 7.94117 -27.2477 6.64357 12.2997 -23.5946 -27.3128 -24.5744 22.5529 TIMING: 2229600 CPU: 6462.62, 0.00288912/step Wall: 6462.62, 0.00288912/step, 2.22334 hours remaining, 208.742188 MB of memory in use. ENERGY: 2229600 763.0267 2090.3683 1961.8096 136.2684 -205961.5298 17560.7853 0.0000 0.0000 34361.6151 -149087.6563 300.0885 -183449.2714 -148988.2377 300.4362 -146.6805 -111.5276 557222.7947 15.3478 15.2289 PRESSURE: 2229800 173.419 108.205 -55.7092 108.205 417.621 -46.1381 -55.7109 -46.1389 -81.1319 GPRESSURE: 2229800 264.905 113.777 -69.4496 126.21 434.989 -64.4887 48.7888 -100.674 -81.4361 PRESSAVG: 2229800 29.5466 59.4786 -38.6339 59.4787 57.4417 -29.7131 -38.634 -29.7131 -103.248 GPRESSAVG: 2229800 29.2417 59.5616 -38.4958 59.5836 57.4112 -29.5074 -38.0101 -30.0317 -102.738 TIMING: 2229800 CPU: 6463.2, 0.00289805/step Wall: 6463.2, 0.00289805/step, 2.23005 hours remaining, 208.742188 MB of memory in use. ENERGY: 2229800 760.3456 2087.6032 1925.5339 118.6149 -206303.7896 17929.5928 0.0000 0.0000 34329.7356 -149152.3636 299.8101 -183482.0992 -149061.3986 299.4691 169.9694 206.1527 555175.7113 -5.4199 -5.3615 PRESSURE: 2230000 -60.645 85.4853 -0.768055 85.4855 -78.6414 61.6126 -0.767652 61.6111 -31.3658 GPRESSURE: 2230000 -48.2568 27.9914 30.794 75.9655 2.48465 48.3951 -55.9149 98.6999 -36.9433 PRESSAVG: 2230000 -2.88478 27.603 24.9067 27.6029 50.4581 -15.7269 24.9066 -15.7269 -16.6169 GPRESSAVG: 2230000 -3.97121 29.0171 24.0178 28.0885 50.6206 -17.6833 26.2548 -15.1341 -15.8722 TIMING: 2230000 CPU: 6463.78, 0.00290251/step Wall: 6463.78, 0.00290251/step, 2.23332 hours remaining, 208.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2230000 785.3139 2052.6007 1954.9311 127.1262 -206081.1816 17605.1663 0.0000 0.0000 34359.5845 -149196.4588 300.0708 -183556.0434 -149101.3826 299.5070 -56.8840 -27.5718 554993.6018 10.3188 10.2591 PRESSURE: 2230200 -503.508 -188.546 -20.0429 -188.546 -78.8308 -25.8215 -20.0429 -25.8214 -109.779 GPRESSURE: 2230200 -510.805 -131.209 -3.57666 -159.558 -63.5482 39.5054 -62.5257 -46.4319 -27.0144 PRESSAVG: 2230200 12.2493 -25.2129 -12.1915 -25.2128 22.8203 -10.4368 -12.1916 -10.4368 -30.2834 GPRESSAVG: 2230200 13.4294 -27.2375 -10.0108 -24.3925 21.8228 -9.06409 -13.0802 -9.65292 -30.3347 TIMING: 2230200 CPU: 6464.36, 0.00288063/step Wall: 6464.36, 0.00288063/step, 2.21633 hours remaining, 208.742188 MB of memory in use. ENERGY: 2230200 810.4209 2029.0182 1970.0696 113.2628 -205839.7594 17507.3211 0.0000 0.0000 34129.5293 -149280.1374 298.0617 -183409.6667 -149178.9477 299.3274 -230.7058 -200.4558 556389.5841 1.5954 1.6392 PRESSURE: 2230400 72.1981 12.137 -58.3651 12.1364 -101.573 -17.0149 -58.3646 -17.0137 -75.6962 GPRESSURE: 2230400 162.237 57.4332 -21.9109 -68.1522 -86.8624 -45.5187 -78.266 3.31726 -80.3216 PRESSAVG: 2230400 -37.9518 -3.42098 27.5527 -3.421 28.9829 -23.5419 27.5526 -23.542 5.92595 GPRESSAVG: 2230400 -39.3685 -1.20242 25.3254 -4.45028 30.7845 -23.2137 27.0041 -24.2361 5.37421 TIMING: 2230400 CPU: 6464.93, 0.00287791/step Wall: 6464.93, 0.00287791/step, 2.21407 hours remaining, 208.742188 MB of memory in use. ENERGY: 2230400 778.5527 2079.2259 1931.7574 116.9800 -206328.5455 17713.1418 0.0000 0.0000 34375.9145 -149332.9734 300.2134 -183708.8879 -149237.2580 299.2804 -35.0236 -1.6491 556179.3613 -1.0143 -1.0699 PRESSURE: 2230600 193.143 32.0446 -205.3 32.045 236.198 -89.9357 -205.3 -89.9357 77.3321 GPRESSURE: 2230600 203.524 70.6535 -179.012 -12.6137 264.596 -119.018 -280.421 -134.717 130.668 PRESSAVG: 2230600 24.1596 -27.1025 -5.25184 -27.1024 -23.5488 -7.43376 -5.25171 -7.43382 -15.4219 GPRESSAVG: 2230600 25.2137 -28.5217 -3.35412 -25.5062 -25.4701 -6.56864 -6.77828 -8.45481 -14.5088 TIMING: 2230600 CPU: 6465.51, 0.0028885/step Wall: 6465.51, 0.0028885/step, 2.22206 hours remaining, 208.742188 MB of memory in use. ENERGY: 2230600 773.2466 2084.6568 1976.8866 113.4078 -206639.2136 18035.2508 0.0000 0.0000 34478.5704 -149177.1945 301.1099 -183655.7649 -149075.7896 299.5822 168.8909 199.5961 555352.8637 -4.9371 -4.9217 PRESSURE: 2230800 128.199 -117.847 -114.701 -117.849 -71.7563 11.9606 -114.701 11.961 165.765 GPRESSURE: 2230800 166.443 -105.903 -80.0526 -37.5889 11.5786 -10.7803 -188.834 36.988 147.126 PRESSAVG: 2230800 -44.1422 -58.3808 -30.3176 -58.3808 67.8347 -28.3327 -30.3175 -28.3327 -59.3815 GPRESSAVG: 2230800 -43.6252 -58.8114 -30.6946 -59.7567 68.8947 -30.6074 -30.2915 -25.5965 -60.9739 TIMING: 2230800 CPU: 6466.09, 0.00289085/step Wall: 6466.09, 0.00289085/step, 2.22371 hours remaining, 208.742188 MB of memory in use. ENERGY: 2230800 734.8565 2106.0611 1938.4833 108.3067 -206308.4700 17809.2411 0.0000 0.0000 34502.4235 -149109.0978 301.3182 -183611.5213 -149012.5943 299.6725 74.0693 108.3823 555364.2736 -11.8963 -11.9015 PRESSURE: 2231000 -216.397 -137.1 -10.4939 -137.1 -375.711 5.38855 -10.4919 5.38857 -94.5505 GPRESSURE: 2231000 -231.8 -49.1963 -37.1846 -78.4561 -340.736 65.7244 -21.8688 -16.1619 -28.2644 PRESSAVG: 2231000 34.3527 -55.5487 -49.3481 -55.5487 17.3657 30.5539 -49.3481 30.5538 -15.5013 GPRESSAVG: 2231000 33.9377 -54.8953 -50.1867 -54.794 17.1265 31.548 -48.211 27.4788 -15.1034 TIMING: 2231000 CPU: 6466.67, 0.00287958/step Wall: 6466.67, 0.00287958/step, 2.21487 hours remaining, 208.742188 MB of memory in use. ENERGY: 2231000 768.9019 2062.4772 1937.1492 120.3477 -205779.9681 17586.3204 0.0000 0.0000 34259.1937 -149045.5780 299.1941 -183304.7717 -148944.6429 299.8453 -228.8861 -200.2669 558359.4416 12.0724 11.9870 PRESSURE: 2231200 120.276 -84.2888 -12.5866 -84.2893 -6.37034 -114.373 -12.587 -114.374 162.333 GPRESSURE: 2231200 140.038 -131.614 14.3384 -36.4208 62.3588 -102.848 7.67655 -74.4192 156.092 PRESSAVG: 2231200 17.6904 -7.10643 -31.8167 -7.10647 -11.4168 -46.7893 -31.8167 -46.7892 3.1414 GPRESSAVG: 2231200 17.2481 -8.65826 -30.881 -6.46473 -10.7552 -45.0122 -32.1591 -44.6571 3.18723 TIMING: 2231200 CPU: 6467.24, 0.00286742/step Wall: 6467.24, 0.00286742/step, 2.20537 hours remaining, 208.742188 MB of memory in use. ENERGY: 2231200 744.8140 2050.3980 1954.9775 104.9479 -206199.1092 17890.5081 0.0000 0.0000 34449.2194 -149004.2443 300.8536 -183453.4637 -148905.5235 299.9797 92.0796 119.4961 556883.9097 3.1383 3.2267 PRESSURE: 2231400 -134.322 44.4285 20.1681 44.4286 -198.219 -100.295 20.169 -100.295 108.057 GPRESSURE: 2231400 -113.141 20.1197 -14.4823 133.884 -129.146 -108.852 105.074 -26.5561 125.155 PRESSAVG: 2231400 28.2662 -29.5729 65.7933 -29.5729 1.53805 -18.5872 65.7933 -18.5872 -18.4451 GPRESSAVG: 2231400 27.8852 -27.7823 66.4289 -29.0377 2.35287 -21.4421 65.9889 -18.0315 -18.8022 TIMING: 2231400 CPU: 6467.82, 0.00288431/step Wall: 6467.82, 0.00288431/step, 2.21819 hours remaining, 208.742188 MB of memory in use. ENERGY: 2231400 797.0470 2124.5016 1929.2018 127.3131 -206352.6587 17781.9004 0.0000 0.0000 34355.1808 -149237.5140 300.0323 -183592.6948 -149151.7492 300.0409 -74.8283 -39.0439 556286.7406 3.7864 3.8120 PRESSURE: 2231600 -41.2 -198.163 53.0309 -198.164 22.5345 -57.837 53.0305 -57.8362 206.959 GPRESSURE: 2231600 -52.6453 -159.334 34.8157 -199.896 72.8003 -39.5815 15.0312 -79.8581 259.234 PRESSAVG: 2231600 29.8361 -0.145893 -5.22616 -0.145939 32.3127 8.79673 -5.22621 8.79684 -2.88521 GPRESSAVG: 2231600 31.2121 -1.04057 -6.83189 0.0113469 30.4534 10.625 -5.7179 5.67348 -2.78587 TIMING: 2231600 CPU: 6468.39, 0.00288814/step Wall: 6468.39, 0.00288814/step, 2.22098 hours remaining, 208.742188 MB of memory in use. ENERGY: 2231600 737.3359 2095.1914 1929.1287 118.9348 -206343.2551 17895.8712 0.0000 0.0000 34426.1653 -149140.6278 300.6523 -183566.7930 -149044.7606 299.6548 62.7645 93.1298 557415.3133 19.7545 19.6265 PRESSURE: 2231800 -24.941 46.0672 4.97248 46.0676 147.912 -118.273 4.97166 -118.273 15.7157 GPRESSURE: 2231800 -26.1742 47.1643 -95.2867 22.1826 178.559 -117.012 64.6297 -85.3246 77.3839 PRESSAVG: 2231800 -25.3795 -16.9463 50.3944 -16.9463 56.7171 -12.3653 50.3944 -12.3653 -43.5216 GPRESSAVG: 2231800 -25.8583 -17.7694 50.87 -17.3922 56.7965 -12.9677 51.7519 -9.32644 -42.902 TIMING: 2231800 CPU: 6468.97, 0.00289633/step Wall: 6468.97, 0.00289633/step, 2.22712 hours remaining, 208.742188 MB of memory in use. ENERGY: 2231800 735.2572 2109.7578 1949.7835 113.4045 -205912.8475 17807.1929 0.0000 0.0000 34058.8601 -149138.5916 297.4445 -183197.4517 -149043.4253 299.1355 46.2290 76.5895 558992.9401 -4.0613 -3.9879 PRESSURE: 2232000 -145.953 63.2071 -46.9097 63.2054 -156.816 -11.4828 -46.9105 -11.4838 -491.436 GPRESSURE: 2232000 -127.048 58.5676 -82.8056 142.698 -142.903 -80.7538 -102.8 -20.9923 -426.859 PRESSAVG: 2232000 17.349 -8.1103 41.9969 -8.11024 58.2461 -1.39843 41.9969 -1.39838 -38.8814 GPRESSAVG: 2232000 17.671 -8.03342 41.3944 -8.16361 57.5506 -0.834395 43.5417 -2.96432 -38.426 TIMING: 2232000 CPU: 6469.55, 0.00290056/step Wall: 6469.55, 0.00290056/step, 2.23021 hours remaining, 208.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2232000 710.5490 2066.7450 1942.6440 114.2598 -205956.6252 17490.2281 0.0000 0.0000 34457.1695 -149175.0299 300.9230 -183632.1994 -149080.3877 299.3441 -264.7349 -232.2701 560503.4731 12.2379 12.2652 PRESSURE: 2232200 -363.848 33.9418 -118.417 33.9418 -208.972 32.5566 -118.417 32.5579 -114.241 GPRESSURE: 2232200 -287.805 21.9579 -140.667 39.4397 -235.76 82.4079 -188.392 42.8169 -57.574 PRESSAVG: 2232200 10.7589 -14.5125 37.9447 -14.5125 -4.18586 32.3404 37.9447 32.3404 -4.33419 GPRESSAVG: 2232200 10.6539 -14.3577 37.7555 -14.0656 -3.65139 34.0431 36.7915 32.1233 -4.69724 TIMING: 2232200 CPU: 6470.14, 0.00293573/step Wall: 6470.14, 0.00293573/step, 2.25709 hours remaining, 208.742188 MB of memory in use. ENERGY: 2232200 727.1957 2070.4383 1943.9951 123.2665 -206010.5599 17615.3688 0.0000 0.0000 34475.0225 -149055.2730 301.0789 -183530.2955 -148964.9256 300.0955 -229.0207 -193.7130 558646.4397 0.7463 0.7684 LDB: ============= START OF LOAD BALANCING ============== 6473.53 LDB: ============== END OF LOAD BALANCING =============== 6473.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6473.53 LDB: ============= START OF LOAD BALANCING ============== 6473.82 LDB: Largest compute 4820 load 0.024487 is 20.8% of average load 0.117901 LDB: Average compute 0.001738 is 1.5% of average load 0.117901 LDB: TIME 6473.82 LOAD: AVG 0.117901 MAX 0.179492 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.027 MB LDB: TIME 6473.82 LOAD: AVG 0.117901 MAX 0.179492 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.23 MB LDB: TIME 6473.82 LOAD: AVG 0.117901 MAX 0.179492 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.23 MB LDB: ============== END OF LOAD BALANCING =============== 6473.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6473.83 PRESSURE: 2232400 226.064 -58.3358 -14.7996 -58.335 31.5552 4.10905 -14.8005 4.10977 -63.2493 GPRESSURE: 2232400 220.376 -66.3638 -45.532 -38.7545 72.3023 66.6845 -108.28 3.35433 2.60969 PRESSAVG: 2232400 16.673 -20.8409 -5.09186 -20.8409 -57.1288 35.7033 -5.09185 35.7033 31.0149 GPRESSAVG: 2232400 17.0316 -20.3453 -5.83226 -22.2496 -57.0143 33.4018 -4.31734 37.4043 30.8105 TIMING: 2232400 CPU: 6470.74, 0.00297385/step Wall: 6470.74, 0.00297385/step, 2.28623 hours remaining, 208.722656 MB of memory in use. ENERGY: 2232400 743.3929 2049.9108 1941.9451 113.4499 -206473.7324 18068.2944 0.0000 0.0000 34499.4789 -149057.2605 301.2925 -183556.7394 -148956.4700 299.4390 64.7898 98.4294 557852.9903 -3.1469 -3.0574 PRESSURE: 2232600 -447.112 -293.415 127.863 -293.414 -215.544 -101.052 127.863 -101.052 -208.36 GPRESSURE: 2232600 -385.159 -128.649 110.178 -313.961 -184.279 -68.1433 122.163 -21.4435 -190.901 PRESSAVG: 2232600 28.2467 -48.8711 -3.74401 -48.8711 29.0795 -25.9974 -3.74406 -25.9974 -25.1129 GPRESSAVG: 2232600 27.7276 -47.3046 -0.731605 -47.8042 28.7999 -26.3094 -5.19854 -24.9069 -24.7497 TIMING: 2232600 CPU: 6471.32, 0.00291187/step Wall: 6471.32, 0.00291187/step, 2.23842 hours remaining, 208.722656 MB of memory in use. ENERGY: 2232600 705.9230 2057.2789 1951.7326 111.0680 -205541.9875 17303.0896 0.0000 0.0000 34240.7035 -149172.1919 299.0326 -183412.8954 -149070.0715 299.7962 -290.3388 -253.4463 559858.9860 10.7378 10.5926 PRESSURE: 2232800 30.7863 47.568 29.507 47.5691 174.694 32.378 29.5066 32.3788 149.585 GPRESSURE: 2232800 87.0766 -24.7428 59.2534 12.251 202.87 96.0776 103.867 -3.06143 160.083 PRESSAVG: 2232800 31.5589 -37.3591 28.6315 -37.3591 29.6266 0.930203 28.6315 0.930223 -79.2633 GPRESSAVG: 2232800 30.7363 -39.8825 28.5736 -38.5203 29.5998 3.46733 29.3398 -0.578452 -78.5801 TIMING: 2232800 CPU: 6471.9, 0.00290715/step Wall: 6471.9, 0.00290715/step, 2.23463 hours remaining, 208.722656 MB of memory in use. ENERGY: 2232800 723.9790 2110.8081 1942.7312 107.2038 -206132.7816 17879.0473 0.0000 0.0000 34318.7006 -149050.3116 299.7137 -183369.0122 -148958.7757 299.0050 118.3551 150.0096 557205.6364 -6.0260 -6.0814 PRESSURE: 2233000 49.2706 -127.306 55.0968 -127.304 110.927 175.844 55.0975 175.843 -25.6586 GPRESSURE: 2233000 57.9712 -39.886 75.646 -194.878 110.872 193.457 46.2624 33.0673 53.186 PRESSAVG: 2233000 43.9092 49.1827 30.3686 49.1828 -16.5894 42.686 30.3688 42.6859 -45.4036 GPRESSAVG: 2233000 44.5079 49.9197 30.3225 48.8413 -16.8005 41.1283 28.8345 41.1954 -45.6009 TIMING: 2233000 CPU: 6472.48, 0.0028884/step Wall: 6472.48, 0.0028884/step, 2.22006 hours remaining, 208.722656 MB of memory in use. ENERGY: 2233000 735.2900 2095.9990 1930.8423 114.9467 -206067.8095 17947.9722 0.0000 0.0000 34141.4360 -149101.3232 298.1657 -183242.7592 -149007.7097 299.1588 44.8463 74.0098 557743.6459 -6.0279 -5.9645 PRESSURE: 2233200 17.8884 -21.08 -139.204 -21.0797 -24.7914 -35.5085 -139.205 -35.5089 74.1588 GPRESSURE: 2233200 -12.9098 -12.7613 -85.863 -2.6318 27.7469 9.48256 -156.719 -41.3637 147.981 PRESSAVG: 2233200 -3.43267 -29.1884 -14.8725 -29.1884 6.85068 21.2154 -14.8725 21.2153 16.0463 GPRESSAVG: 2233200 -3.68389 -29.3621 -16.0308 -29.4424 7.82252 22.2017 -13.9547 21.5553 15.4589 TIMING: 2233200 CPU: 6473.05, 0.00288025/step Wall: 6473.05, 0.00288025/step, 2.21364 hours remaining, 208.722656 MB of memory in use. ENERGY: 2233200 763.0380 2126.8667 1956.3841 113.7348 -206023.3700 17786.5482 0.0000 0.0000 34251.9854 -149024.8128 299.1311 -183276.7982 -148928.6889 299.0989 22.4186 54.2728 557872.4061 6.4881 6.5325 PRESSURE: 2233400 -27.3865 9.24944 -0.914352 9.24969 78.4292 -43.3011 -0.915098 -43.3003 -80.0548 GPRESSURE: 2233400 16.8697 -24.041 -97.9179 51.3194 114.78 -89.7631 62.5945 10.1389 -68.1265 PRESSAVG: 2233400 7.38466 -33.7661 47.3762 -33.766 40.5652 -63.7094 47.3762 -63.7095 -32.6297 GPRESSAVG: 2233400 8.21308 -34.4393 46.7155 -31.3454 40.5263 -63.2579 48.5461 -63.8269 -33.1804 TIMING: 2233400 CPU: 6473.63, 0.00287757/step Wall: 6473.63, 0.00287757/step, 2.21141 hours remaining, 208.722656 MB of memory in use. ENERGY: 2233400 736.7909 2121.3370 1940.8371 116.1302 -205886.6073 17604.6765 0.0000 0.0000 34507.8168 -148859.0187 301.3653 -183366.8355 -148761.2534 299.7633 -9.6707 21.1743 558087.4437 5.1067 5.1863 PRESSURE: 2233600 -187.086 -74.4028 -31.0008 -74.4039 -371.173 -65.0712 -31.0014 -65.0694 -278.796 GPRESSURE: 2233600 -201.676 -7.40826 12.5064 -187.695 -292.826 -94.0501 0.53307 -88.2708 -253.434 PRESSAVG: 2233600 9.37513 0.660079 21.2033 0.65996 -3.59513 -57.22 21.2033 -57.22 -6.37073 GPRESSAVG: 2233600 8.97543 2.37573 21.3227 0.540635 -4.3217 -59.0695 21.6222 -54.7859 -4.96522 TIMING: 2233600 CPU: 6474.2, 0.00285779/step Wall: 6474.2, 0.00285779/step, 2.19605 hours remaining, 208.722656 MB of memory in use. ENERGY: 2233600 758.6738 2078.1429 1943.7958 107.9552 -205699.0946 17400.7518 0.0000 0.0000 34546.8538 -148862.9213 301.7063 -183409.7751 -148764.2386 300.2798 -279.0181 -249.3120 558419.8357 -0.1969 -0.1038 PRESSURE: 2233800 -39.7444 71.4921 -9.90897 71.4924 -107.664 -180.956 -9.90962 -180.957 -144.444 GPRESSURE: 2233800 -32.9131 52.4625 -57.4517 21.7901 7.56789 -77.6655 33.5979 -237.952 -173.904 PRESSAVG: 2233800 25.7329 14.6139 8.51293 14.614 18.281 -12.5829 8.51293 -12.5827 -49.0429 GPRESSAVG: 2233800 25.7764 12.5209 6.05152 14.7804 19.0177 -11.0223 9.98594 -13.5461 -50.5678 TIMING: 2233800 CPU: 6474.78, 0.00288258/step Wall: 6474.78, 0.00288258/step, 2.21494 hours remaining, 208.722656 MB of memory in use. ENERGY: 2233800 758.3415 2106.6301 1942.6064 109.0560 -205603.4714 17618.9653 0.0000 0.0000 34430.7469 -148637.1252 300.6923 -183067.8721 -148530.3980 300.8326 -97.2842 -66.4164 557883.1062 -1.6763 -1.9246 PRESSURE: 2234000 -237.328 -27.8408 -25.9558 -27.8417 26.3704 65.9748 -25.9548 65.9743 -98.1712 GPRESSURE: 2234000 -175.919 -124.251 26.9229 117.049 11.3012 60.3173 -42.3468 69.0468 -40.5103 PRESSAVG: 2234000 46.2102 10.4419 -9.38859 10.4419 11.2193 31.4116 -9.38863 31.4116 -46.0024 GPRESSAVG: 2234000 45.0766 11.8571 -5.41457 9.59666 11.576 30.1675 -11.056 29.7802 -45.2201 TIMING: 2234000 CPU: 6475.36, 0.00289572/step Wall: 6475.36, 0.00289572/step, 2.22488 hours remaining, 208.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2234000 727.2684 2106.7344 1951.1109 107.1700 -205417.3235 17463.6791 0.0000 0.0000 34465.0265 -148596.3343 300.9916 -183061.3607 -148498.9716 301.0980 -103.0430 -68.3759 558331.8916 3.8090 3.8109 PRESSURE: 2234200 256.206 33.3461 -28.6341 33.3469 -162.686 5.25906 -28.6342 5.25917 73.1451 GPRESSURE: 2234200 270.049 74.272 50.6322 34.2913 -91.1991 -13.617 -22.6525 14.9949 75.5804 PRESSAVG: 2234200 2.75945 21.856 1.72517 21.8561 31.2288 4.18018 1.72521 4.18011 1.50892 GPRESSAVG: 2234200 3.32083 22.1861 2.12791 20.2453 31.0958 5.00499 0.92688 5.4065 1.33006 TIMING: 2234200 CPU: 6475.93, 0.00287977/step Wall: 6475.93, 0.00287977/step, 2.21246 hours remaining, 208.722656 MB of memory in use. ENERGY: 2234200 717.4231 2117.6100 1908.5676 103.3344 -205681.3331 17625.6701 0.0000 0.0000 34544.7051 -148664.0228 301.6875 -183208.7279 -148563.5958 300.6577 55.5551 84.8100 557194.8596 11.8324 11.9155 PRESSURE: 2234400 138.599 9.7034 -113.699 9.70425 245.423 -0.0570047 -113.698 -0.0575618 175.287 GPRESSURE: 2234400 163.01 -64.1077 -181.938 3.79321 294.333 -46.2851 30.4222 -38.9767 195.349 PRESSAVG: 2234400 88.0257 12.4258 -87.06 12.4258 -3.17924 15.7252 -87.06 15.7251 -105.25 GPRESSAVG: 2234400 88.2319 10.3154 -87.8183 15.8286 -3.24109 15.4123 -85.4661 16.3266 -105.153 TIMING: 2234400 CPU: 6476.51, 0.00288608/step Wall: 6476.51, 0.00288608/step, 2.21715 hours remaining, 208.722656 MB of memory in use. ENERGY: 2234400 749.7973 2089.9361 1962.5403 113.3052 -206209.7655 18142.6074 0.0000 0.0000 34410.1571 -148741.4220 300.5125 -183151.5791 -148642.0498 300.5970 186.4364 217.5643 556925.6314 -6.8010 -6.7208 PRESSURE: 2234600 -324.344 -46.296 -85.189 -46.2948 -27.9524 9.81874 -85.188 9.81871 67.2853 GPRESSURE: 2234600 -281.898 -7.01644 -37.3958 -28.8508 -31.204 93.6082 -73.0359 -5.52085 123.431 PRESSAVG: 2234600 -30.2032 13.7808 -29.3241 13.7807 26.3791 4.6513 -29.3241 4.65122 -17.7778 GPRESSAVG: 2234600 -28.5904 16.5804 -31.3364 8.24777 23.7299 4.69785 -29.6149 4.65726 -16.3862 TIMING: 2234600 CPU: 6477.08, 0.00287037/step Wall: 6477.08, 0.00287037/step, 2.20492 hours remaining, 208.722656 MB of memory in use. ENERGY: 2234600 789.5205 2067.5601 1964.0197 107.8131 -206168.3534 17635.4582 0.0000 0.0000 34695.2416 -148908.7402 303.0022 -183603.9818 -148814.8264 300.6770 -95.0036 -63.2238 557253.6091 -7.2006 -7.0823 PRESSURE: 2234800 156.715 48.9655 -23.6942 48.9647 247.611 37.1436 -23.6945 37.1437 24.222 GPRESSURE: 2234800 204.335 108.73 -19.7437 18.3584 236.718 82.2059 -78.4605 -18.6378 81.1679 PRESSAVG: 2234800 33.242 -4.13368 -23.3424 -4.13365 47.8822 29.7336 -23.3424 29.7337 -22.4574 GPRESSAVG: 2234800 30.8471 -5.7188 -22.2822 -1.75027 50.169 30.702 -22.7299 28.5213 -22.1893 TIMING: 2234800 CPU: 6477.66, 0.00289215/step Wall: 6477.66, 0.00289215/step, 2.22149 hours remaining, 208.722656 MB of memory in use. ENERGY: 2234800 742.9477 2110.8378 1936.9204 111.7904 -206544.7145 18038.9063 0.0000 0.0000 34398.5266 -149204.7854 300.4109 -183603.3120 -149105.3529 300.1749 142.8494 174.0734 556663.1265 19.5556 19.6089 PRESSURE: 2235000 559.96 82.6718 37.3361 82.6732 -117.292 153.159 37.3352 153.158 -18.2857 GPRESSURE: 2235000 569.738 102.225 0.697979 117.099 -41.1537 103.908 -16.2264 154.232 5.07757 PRESSAVG: 2235000 70.7024 -21.5634 -14.1571 -21.5634 21.51 9.19254 -14.1571 9.19254 -71.5447 GPRESSAVG: 2235000 71.2635 -22.0938 -14.4903 -19.0566 21.3685 10.2414 -13.8389 9.84003 -72.6902 TIMING: 2235000 CPU: 6478.24, 0.00289971/step Wall: 6478.24, 0.00289971/step, 2.22714 hours remaining, 208.722656 MB of memory in use. ENERGY: 2235000 775.8121 2144.8427 1958.3238 95.9788 -206545.8934 18093.0966 0.0000 0.0000 34140.7561 -149337.0833 298.1597 -183477.8394 -149240.6259 299.1171 141.4609 177.8871 556840.9007 6.8892 6.6472 PRESSURE: 2235200 -304.76 -93.5023 93.2739 -93.5023 -256.05 -87.1157 93.2757 -87.1143 -306.969 GPRESSURE: 2235200 -274.846 -136.364 79.0386 -54.9755 -253.961 -117.469 144.971 -164.191 -237.402 PRESSAVG: 2235200 49.2154 -16.6178 13.2343 -16.6179 -3.47943 -33.6501 13.2342 -33.6501 -29.2155 GPRESSAVG: 2235200 48.6228 -17.5685 14.5752 -17.3737 -3.56151 -33.2205 11.4509 -35.2492 -28.3568 TIMING: 2235200 CPU: 6478.82, 0.00289283/step Wall: 6478.82, 0.00289283/step, 2.2217 hours remaining, 208.722656 MB of memory in use. ENERGY: 2235200 772.4824 2125.6018 1928.8014 104.6226 -205778.6867 17435.0081 0.0000 0.0000 34303.7269 -149108.4435 299.5830 -183412.1704 -149013.9295 298.4564 -289.2596 -255.4033 559021.7402 5.5068 5.5682 PRESSURE: 2235400 85.3184 -223.681 175.335 -223.68 183.203 2.75813 175.336 2.75839 134.406 GPRESSURE: 2235400 189.357 -215.305 165.133 -178.399 227.15 -23.6499 177.586 -10.0683 75.1157 PRESSAVG: 2235400 -17.2076 -2.55541 18.0506 -2.55542 21.0816 41.7682 18.0506 41.7681 -10.0385 GPRESSAVG: 2235400 -15.8292 -2.42061 18.0959 -2.09124 20.6203 38.3533 20.4081 44.0567 -11.2761 TIMING: 2235400 CPU: 6479.4, 0.00289521/step Wall: 6479.4, 0.00289521/step, 2.22336 hours remaining, 208.722656 MB of memory in use. ENERGY: 2235400 729.3902 2092.4916 1918.9145 120.1106 -206560.9799 18273.4272 0.0000 0.0000 34268.9758 -149157.6699 299.2795 -183426.6457 -149069.0126 299.3766 134.3091 163.8742 558168.5866 -2.0548 -2.1617 PRESSURE: 2235600 -21.3455 -101.59 29.2447 -101.59 92.5494 -99.4916 29.2453 -99.4924 -15.0944 GPRESSURE: 2235600 73.5034 -114.278 98.781 -111.275 138.86 -86.3341 86.2682 -173.836 -57.9489 PRESSAVG: 2235600 16.5014 -22.6106 18.1652 -22.6105 11.5763 58.6629 18.1653 58.6628 -24.9861 GPRESSAVG: 2235600 16.7082 -20.2886 17.7201 -23.0304 11.5234 60.7612 16.083 56.7549 -25.0888 TIMING: 2235600 CPU: 6479.97, 0.0028739/step Wall: 6479.97, 0.0028739/step, 2.20683 hours remaining, 208.722656 MB of memory in use. ENERGY: 2235600 696.1061 2082.7202 1969.9597 124.8579 -206111.3059 17752.8594 0.0000 0.0000 34398.8501 -149085.9526 300.4137 -183484.8027 -148984.5261 299.7536 18.7032 51.4714 558736.6133 1.0305 1.0476 PRESSURE: 2235800 -21.345 31.2317 -148.421 31.23 -54.3371 95.1094 -148.42 95.108 -245.121 GPRESSURE: 2235800 -0.974526 48.2758 -144.841 7.4983 -67.5305 -3.12919 -85.8865 101.755 -157.011 PRESSAVG: 2235800 69.1714 -21.3572 50.933 -21.3571 -30.2371 18.3834 50.9331 18.3834 -37.294 GPRESSAVG: 2235800 68.4138 -19.2338 49.9837 -23.4872 -30.4904 18.8566 51.1913 19.1262 -36.3481 TIMING: 2235800 CPU: 6480.55, 0.00287672/step Wall: 6480.55, 0.00287672/step, 2.20884 hours remaining, 208.722656 MB of memory in use. ENERGY: 2235800 726.1944 2063.0763 1957.8583 116.9602 -205855.3827 17587.8702 0.0000 0.0000 34142.8335 -149260.5897 298.1779 -183403.4233 -149165.4858 299.5245 -106.9343 -75.1720 559141.6249 0.5467 0.5251 PRESSURE: 2236000 -265.463 -84.1957 -76.694 -84.1957 -12.9751 126.729 -76.6942 126.728 -122.437 GPRESSURE: 2236000 -195.692 -138.256 -31.8851 -114.965 15.1079 97.5487 -66.3134 108.286 -133.316 PRESSAVG: 2236000 13.5691 -38.4891 -27.3235 -38.4891 -29.9288 0.611806 -27.3236 0.611837 -5.43821 GPRESSAVG: 2236000 13.3565 -41.6167 -27.4695 -36.7008 -28.7485 -0.627706 -28.1808 1.3612 -5.8619 TIMING: 2236000 CPU: 6481.12, 0.00287839/step Wall: 6481.12, 0.00287838/step, 2.20995 hours remaining, 208.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2236000 726.2792 2066.6610 1960.6050 124.7055 -205850.7859 17687.9623 0.0000 0.0000 34184.0564 -149100.5165 298.5379 -183284.5729 -149004.0100 299.4162 -133.6251 -104.6334 559299.2117 -7.2660 -7.0846 PRESSURE: 2236200 -353.577 -71.5486 -100.545 -71.5478 -245.156 211.545 -100.544 211.545 -50.3025 GPRESSURE: 2236200 -270.327 -96.6787 -30.9921 -102.459 -246.371 275.789 -169.66 111.419 -29.2625 PRESSAVG: 2236200 -23.0072 11.3105 -11.0632 11.3104 15.9237 19.0861 -11.0632 19.0861 -28.7584 GPRESSAVG: 2236200 -23.7158 11.819 -10.4294 12.027 14.936 19.8893 -10.3762 20.7891 -27.1455 TIMING: 2236200 CPU: 6481.7, 0.00288439/step Wall: 6481.7, 0.00288441/step, 2.21442 hours remaining, 208.722656 MB of memory in use. ENERGY: 2236200 748.1752 2135.2837 1959.5417 119.3656 -205909.5006 17656.0049 0.0000 0.0000 34178.0289 -149113.1006 298.4852 -183291.1295 -149017.0782 299.1185 -216.3452 -181.9870 559510.5405 -11.9473 -11.9751 LDB: ============= START OF LOAD BALANCING ============== 6485.09 LDB: ============== END OF LOAD BALANCING =============== 6485.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6485.09 LDB: ============= START OF LOAD BALANCING ============== 6485.38 LDB: Largest compute 4820 load 0.026267 is 22.3% of average load 0.117867 LDB: Average compute 0.001741 is 1.5% of average load 0.117867 LDB: TIME 6485.38 LOAD: AVG 0.117867 MAX 0.181619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.699 MB LDB: TIME 6485.38 LOAD: AVG 0.117867 MAX 0.181619 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.898 MB LDB: TIME 6485.38 LOAD: AVG 0.117867 MAX 0.181619 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.898 MB LDB: ============== END OF LOAD BALANCING =============== 6485.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6485.39 PRESSURE: 2236400 -126.784 -6.12123 -143.718 -6.12274 -182.256 -79.2157 -143.719 -79.2164 -256.414 GPRESSURE: 2236400 -86.3461 18.7367 -146.327 -79.4424 -184.999 -70.6319 -78.5585 -141.495 -199.225 PRESSAVG: 2236400 0.650946 18.0283 36.1676 18.0284 10.0601 -5.426 36.1676 -5.42594 -19.912 GPRESSAVG: 2236400 2.14377 17.7508 36.4402 15.5419 9.72276 -4.59696 36.0731 -7.00089 -21.0349 TIMING: 2236400 CPU: 6482.29, 0.00294698/step Wall: 6482.29, 0.00294698/step, 2.2623 hours remaining, 209.492188 MB of memory in use. ENERGY: 2236400 746.2179 2054.3776 1945.0211 115.0781 -206000.2437 17517.4781 0.0000 0.0000 34495.9870 -149126.0838 301.2620 -183622.0708 -149025.6136 298.3093 -188.4845 -156.8566 558419.4661 -3.0670 -3.0561 PRESSURE: 2236600 -158.189 -183.245 37.605 -183.244 -133.631 64.5391 37.6054 64.539 63.6865 GPRESSURE: 2236600 -143.584 -228.889 69.6833 -193.756 -92.2436 117.303 88.626 14.2344 106.528 PRESSAVG: 2236600 24.8839 26.0807 -39.5907 26.0808 16.9736 -22.4808 -39.5907 -22.4808 -49.3334 GPRESSAVG: 2236600 23.7853 27.3775 -39.9092 27.0262 18.3177 -22.8897 -37.2802 -23.686 -49.9259 TIMING: 2236600 CPU: 6482.87, 0.00289148/step Wall: 6482.87, 0.00289148/step, 2.21953 hours remaining, 209.820312 MB of memory in use. ENERGY: 2236600 755.6558 2138.1809 1944.1625 113.2463 -205927.4508 17617.2545 0.0000 0.0000 34070.2875 -149288.6632 297.5443 -183358.9507 -149201.3378 298.8775 -76.0445 -43.0998 557555.8352 -2.4919 -2.6076 PRESSURE: 2236800 75.1266 -89.8316 36.4743 -89.8308 1.14816 42.4468 36.4752 42.4471 81.1714 GPRESSURE: 2236800 71.1379 -99.8082 107.287 -69.5015 37.2298 62.6667 -2.9043 61.4776 142.969 PRESSAVG: 2236800 71.5926 30.1241 7.01977 30.1241 -10.6048 -43.8046 7.01978 -43.8044 -41.2135 GPRESSAVG: 2236800 71.4371 29.9642 7.65219 29.5232 -10.6551 -44.0138 4.28952 -41.9292 -41.5406 TIMING: 2236800 CPU: 6483.45, 0.00288789/step Wall: 6483.45, 0.00288789/step, 2.21661 hours remaining, 209.820312 MB of memory in use. ENERGY: 2236800 759.3259 2058.7896 1981.9285 121.5997 -206494.9702 18060.1671 0.0000 0.0000 34369.8487 -149143.3107 300.1604 -183513.1594 -149038.4272 299.1984 52.4820 83.7788 557039.1012 6.5914 6.4138 PRESSURE: 2237000 -88.2254 203.525 -56.9515 203.524 -48.5708 185.29 -56.9512 185.29 -29.6401 GPRESSURE: 2237000 -43.2768 99.1613 -95.0289 239.605 -11.8166 122.149 -41.0602 157.975 -15.3553 PRESSAVG: 2237000 67.0498 24.0412 -8.6444 24.0411 -58.8119 28.9315 -8.64456 28.9314 10.8982 GPRESSAVG: 2237000 67.9564 22.611 -11.0667 25.5921 -59.0305 30.7683 -6.40934 28.2424 10.6923 TIMING: 2237000 CPU: 6484.02, 0.00287897/step Wall: 6484.02, 0.00287897/step, 2.20961 hours remaining, 209.820312 MB of memory in use. ENERGY: 2237000 741.0901 2090.6716 1956.1344 126.8606 -205633.6204 17750.0452 0.0000 0.0000 33985.8456 -148982.9728 296.8068 -182968.8184 -148879.5278 299.2447 -55.4788 -23.4829 558344.9595 6.3787 6.5394 PRESSURE: 2237200 -44.0159 -53.486 -171.5 -53.4863 -52.7195 44.6477 -171.5 44.6474 -70.3914 GPRESSURE: 2237200 4.94196 -18.9747 -137.596 -22.8005 -26.4905 76.8176 -178.737 38.3794 -31.2548 PRESSAVG: 2237200 11.5353 20.3922 10.2794 20.3922 35.5677 24.8918 10.2794 24.8918 -25.5785 GPRESSAVG: 2237200 11.5894 21.4171 10.4864 22.2944 36.0002 23.7838 9.35314 24.1757 -25.7523 TIMING: 2237200 CPU: 6484.6, 0.00287896/step Wall: 6484.6, 0.00287896/step, 2.20944 hours remaining, 209.820312 MB of memory in use. ENERGY: 2237200 758.1852 2072.6075 1947.1338 111.5735 -206146.2281 17941.0079 0.0000 0.0000 34177.9046 -149137.8157 298.4841 -183315.7203 -149038.9315 298.2354 -55.7089 -17.6011 559138.0010 7.1748 7.2791 PRESSURE: 2237400 -169.556 -83.7732 189.016 -83.7731 -49.338 118.457 189.016 118.456 -46.0025 GPRESSURE: 2237400 -93.5704 -173.854 85.8762 -16.9133 -39.5324 151.549 118.52 153.156 -36.4552 PRESSAVG: 2237400 1.82682 -20.7666 7.1241 -20.7666 -6.02682 21.118 7.12403 21.118 -22.4371 GPRESSAVG: 2237400 2.35298 -19.3416 6.94062 -24.3896 -8.3889 22.7008 8.6784 19.7803 -20.7333 TIMING: 2237400 CPU: 6485.18, 0.00289062/step Wall: 6485.18, 0.00289062/step, 2.21823 hours remaining, 209.820312 MB of memory in use. ENERGY: 2237400 739.2682 2106.1408 1937.6882 112.6901 -206150.3607 17798.3372 0.0000 0.0000 34233.3744 -149222.8618 298.9686 -183456.2362 -149134.7719 299.5022 -88.2988 -56.5193 557549.5610 -8.8790 -8.9231 PRESSURE: 2237600 -204.531 113.53 -205.08 113.53 -79.6263 5.72263 -205.079 5.72078 -181.117 GPRESSURE: 2237600 -96.1252 196.553 -145.256 92.5302 -57.9059 -30.2375 -146.515 22.9382 -202.284 PRESSAVG: 2237600 -10.2457 -10.7686 -89.8284 -10.7685 -2.79425 4.66396 -89.8283 4.66402 8.40863 GPRESSAVG: 2237600 -10.9731 -13.8212 -86.7013 -9.93771 -1.12997 2.9417 -91.971 6.87918 7.86019 TIMING: 2237600 CPU: 6485.75, 0.00289102/step Wall: 6485.75, 0.00289102/step, 2.21838 hours remaining, 209.820312 MB of memory in use. ENERGY: 2237600 731.6754 2095.3252 1969.2541 115.5695 -206049.7093 17565.9037 0.0000 0.0000 34360.4033 -149211.5781 300.0779 -183571.9814 -149122.6159 299.6052 -155.0913 -118.7719 556340.9259 -1.5438 -1.4143 PRESSURE: 2237800 -208.864 214.576 44.799 214.575 -135.464 88.3929 44.7985 88.3932 -74.3173 GPRESSURE: 2237800 -144.69 265.753 101.582 97.7272 -177.022 146.729 -26.7759 34.3122 3.4897 PRESSAVG: 2237800 -31.0295 -39.0321 -32.9147 -39.0321 -4.67058 3.05306 -32.9147 3.05308 23.2871 GPRESSAVG: 2237800 -30.6027 -37.0725 -34.1214 -39.5028 -5.42362 5.04915 -32.8138 1.87344 23.1549 TIMING: 2237800 CPU: 6486.33, 0.00288238/step Wall: 6486.33, 0.00288238/step, 2.21159 hours remaining, 209.820312 MB of memory in use. ENERGY: 2237800 767.5641 2100.3151 1954.3814 116.6013 -206165.4843 17776.0976 0.0000 0.0000 34248.6258 -149201.8990 299.1018 -183450.5248 -149103.5718 299.4515 -139.5485 -106.0741 556942.6007 -4.1376 -4.2905 PRESSURE: 2238000 203.593 191.057 -36.1044 191.055 26.013 30.1282 -36.1049 30.1246 -68.0946 GPRESSURE: 2238000 244.909 189.478 -43.7033 226.327 73.6068 6.65758 -53.9972 25.6494 -46.6006 PRESSAVG: 2238000 -16.359 42.5488 23.8732 42.5488 42.3259 15.9655 23.8732 15.9654 -23.2867 GPRESSAVG: 2238000 -16.0434 42.5209 23.5847 43.1488 42.2516 13.9323 24.3766 15.5664 -23.2151 TIMING: 2238000 CPU: 6486.91, 0.00288781/step Wall: 6486.91, 0.00288781/step, 2.21559 hours remaining, 209.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2238000 762.7299 2105.7953 1964.3923 107.2021 -206106.4051 17698.0820 0.0000 0.0000 34194.6633 -149273.5401 298.6305 -183468.2034 -149184.2564 299.2549 53.8372 90.6385 555692.3597 0.8934 0.9977 PRESSURE: 2238200 131.604 -109.944 -4.94758 -109.942 -65.8259 -48.0393 -4.94816 -48.0385 180.759 GPRESSURE: 2238200 132.489 -166.037 -39.5354 -106.129 -25.1642 -130.156 94.2901 7.99258 238.865 PRESSAVG: 2238200 92.0972 32.4285 -31.8236 32.4285 -48.1212 16.9983 -31.8236 16.9982 -20.8388 GPRESSAVG: 2238200 91.4782 33.0166 -31.2149 31.1958 -46.6748 16.5684 -33.9194 17.3273 -22.4116 TIMING: 2238200 CPU: 6487.49, 0.00289459/step Wall: 6487.49, 0.00289459/step, 2.22063 hours remaining, 209.875000 MB of memory in use. ENERGY: 2238200 712.6483 2030.3925 1932.0345 117.8780 -206240.6288 17836.1826 0.0000 0.0000 34265.1457 -149346.3472 299.2460 -183611.4928 -149240.0185 299.2023 82.1792 115.3966 556260.2082 7.7124 7.4639 PRESSURE: 2238400 -169.285 -94.1114 -127.178 -94.1115 -261.721 -44.2167 -127.178 -44.2178 112.458 GPRESSURE: 2238400 -101.497 -18.1429 -71.6081 -15.7863 -222.414 -76.663 -105.349 -17.8443 94.663 PRESSAVG: 2238400 48.0985 -29.6258 4.34404 -29.6257 -72.6238 47.5816 4.344 47.5817 2.48938 GPRESSAVG: 2238400 46.9687 -29.4313 2.82133 -28.9997 -72.7591 46.7573 5.99671 48.3861 2.91739 TIMING: 2238400 CPU: 6488.07, 0.00289138/step Wall: 6488.07, 0.00289138/step, 2.21801 hours remaining, 209.875000 MB of memory in use. ENERGY: 2238400 758.4747 2112.1799 1915.1824 109.5931 -205876.5756 17558.4320 0.0000 0.0000 34198.2647 -149224.4488 298.6620 -183422.7135 -149125.3223 299.2780 -106.1825 -76.4158 558276.3080 -7.3453 -7.6243 PRESSURE: 2238600 -110.85 104.382 -146.851 104.383 -111.751 -17.5917 -146.85 -17.5924 110.329 GPRESSURE: 2238600 -117.602 133.844 -115.081 135.908 -27.9359 -6.14219 -220.187 -19.0961 123.116 PRESSAVG: 2238600 27.6306 72.1049 30.7891 72.105 -16.2408 -1.0189 30.7891 -1.01896 -12.2289 GPRESSAVG: 2238600 28.7404 71.3335 32.8404 71.0114 -16.944 0.716094 29.9508 -1.80318 -13.1065 TIMING: 2238600 CPU: 6488.64, 0.00289462/step Wall: 6488.64, 0.00289462/step, 2.22033 hours remaining, 209.875000 MB of memory in use. ENERGY: 2238600 738.8794 2151.3935 1965.1247 117.4864 -206375.6387 17943.3376 0.0000 0.0000 34219.2840 -149240.1330 298.8455 -183459.4170 -149145.3703 299.5035 -37.4239 -7.4739 558059.7140 -0.2797 -0.4367 PRESSURE: 2238800 225.399 76.7079 -1.14793 76.7074 160.783 -90.051 -1.14644 -90.0502 -356.205 GPRESSURE: 2238800 192.648 113.703 18.779 11.9254 152.729 -153.149 17.0066 -62.8589 -214.857 PRESSAVG: 2238800 -29.3051 29.7009 -60.5061 29.7009 4.72218 32.9656 -60.5062 32.9656 13.5551 GPRESSAVG: 2238800 -31.2132 32.1398 -60.8883 28.6292 6.80244 32.1038 -60.6846 32.4518 13.7756 TIMING: 2238800 CPU: 6489.22, 0.00287575/step Wall: 6489.22, 0.00287575/step, 2.2057 hours remaining, 209.875000 MB of memory in use. ENERGY: 2238800 756.3436 2048.7061 1982.8803 114.8999 -206256.9697 17785.4315 0.0000 0.0000 34314.3156 -149254.3926 299.6755 -183568.7082 -149152.9862 299.2030 9.9921 43.5070 555550.9190 -3.6759 -3.5451 PRESSURE: 2239000 -22.3083 27.2206 68.6627 27.2217 54.9552 -35.0958 68.6618 -35.0963 -157.4 GPRESSURE: 2239000 -4.90335 34.4147 75.5252 52.2703 93.2929 -70.1518 -7.69158 55.8136 -116.356 PRESSAVG: 2239000 56.2466 4.78859 -7.08469 4.78865 5.12092 -75.6882 -7.08471 -75.6881 -31.9997 GPRESSAVG: 2239000 57.9218 1.72439 -6.12071 5.44178 4.0248 -77.5028 -5.49332 -74.1568 -32.9713 TIMING: 2239000 CPU: 6489.8, 0.00287905/step Wall: 6489.8, 0.00287905/step, 2.20807 hours remaining, 209.875000 MB of memory in use. ENERGY: 2239000 751.9956 2060.4760 1942.5462 110.8737 -206394.7555 17798.4385 0.0000 0.0000 34432.6045 -149297.8209 300.7085 -183730.4255 -149200.4192 299.4371 -41.5843 -9.3222 556902.3524 9.7893 9.6584 PRESSURE: 2239200 80.9747 -12.5731 -41.6003 -12.5734 -68.1799 12.7057 -41.6002 12.7061 -105.425 GPRESSURE: 2239200 153.706 8.04998 -73.358 -35.643 -40.6444 -50.8751 -76.3145 58.0629 -89.7243 PRESSAVG: 2239200 68.7473 14.5323 41.2307 14.5324 18.0788 -38.2472 41.2306 -38.2471 -32.897 GPRESSAVG: 2239200 69.2246 15.7853 39.5214 14.1701 17.4286 -35.873 41.1176 -39.2981 -33.1032 TIMING: 2239200 CPU: 6490.37, 0.00287883/step Wall: 6490.37, 0.00287883/step, 2.20774 hours remaining, 209.875000 MB of memory in use. ENERGY: 2239200 730.8801 2088.7900 1947.7752 119.1813 -206335.3940 17875.1451 0.0000 0.0000 34293.2103 -149280.4120 299.4911 -183573.6223 -149184.1993 299.1077 -30.8767 7.7790 557774.4648 17.9764 17.8500 PRESSURE: 2239400 150.966 38.2815 -33.8998 38.2818 339.607 44.1025 -33.8999 44.1022 101.483 GPRESSURE: 2239400 196.67 30.2985 -27.1383 8.72244 399.178 94.6065 -34.7768 98.1105 97.0599 PRESSAVG: 2239400 -0.779792 31.9659 -11.9721 31.9659 -29.1472 24.1018 -11.972 24.1017 35.5745 GPRESSAVG: 2239400 -2.15362 30.8946 -11.1164 33.5857 -28.7711 23.3848 -11.6117 25.6126 36.4639 TIMING: 2239400 CPU: 6490.95, 0.00287983/step Wall: 6490.95, 0.00287983/step, 2.20835 hours remaining, 209.875000 MB of memory in use. ENERGY: 2239400 702.0638 2126.6100 1951.6152 104.8462 -206270.0133 17925.7903 0.0000 0.0000 34297.2955 -149161.7923 299.5268 -183459.0878 -149073.7269 299.5050 197.3517 230.9694 555952.6046 1.8825 1.8464 PRESSURE: 2239600 -95.0713 -17.8489 -276.44 -17.8506 -222.635 -67.8544 -276.439 -67.8523 -242.153 GPRESSURE: 2239600 -91.6813 -53.5429 -192.432 -29.2368 -197.052 -53.0655 -310.944 -143.414 -170.881 PRESSAVG: 2239600 -14.173 -79.8098 -52.1692 -79.8098 70.527 -38.2039 -52.1692 -38.2039 -19.5294 GPRESSAVG: 2239600 -13.6445 -79.56 -52.2786 -80.8478 69.3077 -39.1447 -50.7055 -37.6641 -18.7427 TIMING: 2239600 CPU: 6491.52, 0.00288794/step Wall: 6491.52, 0.00288794/step, 2.21441 hours remaining, 209.875000 MB of memory in use. ENERGY: 2239600 730.4014 2078.9721 1967.7420 103.5740 -205666.3081 17477.3675 0.0000 0.0000 34241.9414 -149066.3096 299.0434 -183308.2510 -148973.4111 299.4392 -186.6197 -153.2047 557828.1321 12.2749 12.3068 PRESSURE: 2239800 163.935 -142.424 248.446 -142.424 85.0823 74.1198 248.446 74.119 211.99 GPRESSURE: 2239800 258.933 -240.79 221.537 -61.3387 123.489 84.6346 259.446 140.534 178.876 PRESSAVG: 2239800 22.3078 -44.4112 -23.873 -44.4111 -0.145753 -14.1897 -23.873 -14.1897 -33.2388 GPRESSAVG: 2239800 22.9897 -43.9214 -25.4649 -42.9941 -0.879058 -13.3824 -24.8112 -15.7044 -33.7343 TIMING: 2239800 CPU: 6492.1, 0.00288905/step Wall: 6492.1, 0.00288905/step, 2.2151 hours remaining, 209.875000 MB of memory in use. ENERGY: 2239800 741.4286 2088.5259 1921.5997 107.7530 -206002.5065 17826.0344 0.0000 0.0000 34213.6631 -149103.5019 298.7964 -183317.1650 -149008.3936 299.8260 153.6690 187.0994 556310.9250 -3.6923 -3.8746 PRESSURE: 2240000 258.374 -16.8774 15.0592 -16.8773 404.668 -31.1276 15.0589 -31.127 203.891 GPRESSURE: 2240000 289.876 31.5907 150.191 -61.2703 480.14 -58.732 1.44263 -81.6392 188.483 PRESSAVG: 2240000 -57.8641 -59.2349 40.2178 -59.2349 41.1088 -29.5205 40.2177 -29.5205 -16.6573 GPRESSAVG: 2240000 -58.6984 -60.796 40.5894 -58.055 43.2271 -28.4513 40.2733 -28.6087 -18.1761 TIMING: 2240000 CPU: 6492.68, 0.00289844/step Wall: 6492.68, 0.00289844/step, 2.22214 hours remaining, 209.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2240000 722.9120 2071.3432 1982.2997 104.4397 -206432.0945 18163.0217 0.0000 0.0000 34203.2109 -149184.8674 298.7051 -183388.0783 -149087.0869 299.2078 288.9773 319.4994 556065.7200 -11.1375 -11.2158 PRESSURE: 2240200 -254.44 38.4326 -29.8275 38.4334 -13.5595 -60.422 -29.8278 -60.4236 -37.8949 GPRESSURE: 2240200 -189.227 -4.65666 -46.9766 16.0907 -3.4631 -18.1817 -27.1352 -99.8387 -27.3687 PRESSAVG: 2240200 -14.8388 -14.2714 -14.5198 -14.2716 1.72838 -50.2092 -14.5198 -50.2092 -10.4587 GPRESSAVG: 2240200 -15.411 -13.2658 -13.0729 -15.8961 0.28755 -50.0157 -16.0615 -52.9176 -9.18706 TIMING: 2240200 CPU: 6493.26, 0.00288294/step Wall: 6493.26, 0.00288294/step, 2.21009 hours remaining, 209.875000 MB of memory in use. ENERGY: 2240200 722.2311 2118.1876 1934.2323 111.5402 -205866.2805 17515.0458 0.0000 0.0000 34250.4806 -149214.5629 299.1180 -183465.0435 -149124.7309 298.5548 -101.9650 -73.3529 557373.1672 -7.8564 -8.1035 LDB: ============= START OF LOAD BALANCING ============== 6496.64 LDB: ============== END OF LOAD BALANCING =============== 6496.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6496.65 LDB: ============= START OF LOAD BALANCING ============== 6496.93 LDB: Largest compute 4820 load 0.025555 is 21.7% of average load 0.117983 LDB: Average compute 0.001754 is 1.5% of average load 0.117983 LDB: TIME 6496.94 LOAD: AVG 0.117983 MAX 0.181318 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.867 MB LDB: TIME 6496.94 LOAD: AVG 0.117983 MAX 0.181318 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.09 MB LDB: TIME 6496.94 LOAD: AVG 0.117983 MAX 0.181318 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.09 MB LDB: ============== END OF LOAD BALANCING =============== 6496.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6496.94 PRESSURE: 2240400 -328.347 153.235 50.5 153.234 223.895 65.2262 50.4996 65.2274 137.681 GPRESSURE: 2240400 -322.894 135.942 32.9026 207.518 319.315 40.7287 42.356 15.1808 136.802 PRESSAVG: 2240400 0.934088 -11.0367 -9.37543 -11.0366 14.2029 28.3001 -9.37548 28.3002 -43.0745 GPRESSAVG: 2240400 0.344979 -9.54096 -9.33001 -12.6631 14.8737 25.8495 -8.70281 29.9773 -42.9616 TIMING: 2240400 CPU: 6493.85, 0.00294111/step Wall: 6493.85, 0.00294111/step, 2.25453 hours remaining, 209.699219 MB of memory in use. ENERGY: 2240400 725.9670 2079.9357 1943.1403 118.3734 -206174.0442 17809.7458 0.0000 0.0000 34237.8685 -149259.0136 299.0078 -183496.8821 -149165.0327 298.8134 11.0763 44.4078 556816.2366 -9.3125 -9.2477 PRESSURE: 2240600 -5.29146 48.7956 -101.898 48.7947 225.291 -217.279 -101.897 -217.28 23.0331 GPRESSURE: 2240600 64.0815 -44.5687 -161.619 68.8913 240.106 -230.842 -89.2688 -177.317 48.9307 PRESSAVG: 2240600 23.7688 8.22768 0.765767 8.22771 -13.6164 -60.2947 0.765739 -60.2947 -28.2741 GPRESSAVG: 2240600 25.0409 9.34679 -0.00729215 9.50182 -13.6108 -60.9408 -0.531201 -59.1397 -29.3446 TIMING: 2240600 CPU: 6494.42, 0.00286349/step Wall: 6494.42, 0.00286349/step, 2.19487 hours remaining, 210.027344 MB of memory in use. ENERGY: 2240600 708.2253 2081.8941 1943.3022 111.0827 -206173.3638 17773.3616 0.0000 0.0000 34304.7201 -149250.7778 299.5917 -183555.4979 -149158.3064 299.1916 81.0109 117.7062 557641.0200 -6.0406 -5.9715 PRESSURE: 2240800 -46.1436 382.202 107.341 382.203 77.6996 16.4557 107.343 16.4544 -192.708 GPRESSURE: 2240800 -11.0508 324.526 74.4381 326.344 135.049 29.2027 58.1286 -0.355162 -172.663 PRESSAVG: 2240800 -5.83327 26.9935 0.816706 26.9936 5.0324 -40.8391 0.816624 -40.8393 36.9893 GPRESSAVG: 2240800 -6.22129 26.2269 -0.684436 27.1689 6.1465 -38.7924 3.6625 -43.5282 36.4676 TIMING: 2240800 CPU: 6494.99, 0.00286744/step Wall: 6494.99, 0.00286744/step, 2.19773 hours remaining, 210.027344 MB of memory in use. ENERGY: 2240800 732.8396 2036.9227 1974.1656 115.1527 -206125.2351 17629.3588 0.0000 0.0000 34410.5489 -149226.2468 300.5159 -183636.7957 -149138.0772 299.9853 -53.7172 -16.2214 555679.6954 12.0628 12.1309 PRESSURE: 2241000 -80.8128 -177.626 206.906 -177.625 -202.453 39.7415 206.907 39.7402 -93.7907 GPRESSURE: 2241000 51.9373 -106.562 177.771 -110.563 -223.383 107.266 190.361 96.4704 -94.5324 PRESSAVG: 2241000 3.94312 12.8126 46.1519 12.8128 -3.03533 -4.53348 46.1519 -4.53344 16.2301 GPRESSAVG: 2241000 4.3989 11.5037 47.124 15.4349 -3.33999 -6.19672 44.1662 -0.747038 15.2636 TIMING: 2241000 CPU: 6495.57, 0.00287789/step Wall: 6495.57, 0.00287789/step, 2.20559 hours remaining, 210.027344 MB of memory in use. ENERGY: 2241000 773.0757 2087.7018 1970.4864 120.6198 -206165.8185 17757.1610 0.0000 0.0000 34268.0825 -149188.6913 299.2717 -183456.7738 -149097.9554 299.9402 -125.6856 -88.6595 556972.1568 5.7126 5.4408 PRESSURE: 2241200 -337.89 -116.375 41.9128 -116.375 -264.036 129.022 41.9122 129.024 31.9012 GPRESSURE: 2241200 -269.262 -68.4431 34.4345 -158.836 -206.832 176.729 111.657 125.295 15.6546 PRESSAVG: 2241200 -111.786 -38.5693 43.6044 -38.5692 57.9472 -2.21406 43.6044 -2.21407 19.7421 GPRESSAVG: 2241200 -112.022 -38.8976 45.2423 -40.8821 56.601 -1.57384 43.1022 -3.86674 20.7766 TIMING: 2241200 CPU: 6496.15, 0.00289357/step Wall: 6496.15, 0.00289357/step, 2.21744 hours remaining, 210.027344 MB of memory in use. ENERGY: 2241200 751.7823 2066.7434 1944.4002 116.6083 -206018.5562 17525.4884 0.0000 0.0000 34282.6639 -149330.8697 299.3990 -183613.5336 -149231.8466 298.9535 -190.0085 -153.4798 558282.8694 -11.3655 -11.5480 PRESSURE: 2241400 92.2719 -83.5293 -95.0924 -83.5288 46.0089 -112.308 -95.0915 -112.306 -134.281 GPRESSURE: 2241400 61.3562 -33.1643 -1.41526 -149.008 106.086 -153.917 -85.0809 -69.091 -71.171 PRESSAVG: 2241400 -34.4813 6.44545 -27.8618 6.44549 30.7588 25.2378 -27.8618 25.2379 16.3028 GPRESSAVG: 2241400 -35.3205 8.74865 -28.2636 5.73739 32.1495 24.9646 -28.8307 26.3047 15.4088 TIMING: 2241400 CPU: 6496.73, 0.0028992/step Wall: 6496.73, 0.0028992/step, 2.22159 hours remaining, 210.027344 MB of memory in use. ENERGY: 2241400 750.5004 2078.5609 1976.3522 117.6941 -206025.8079 17789.0488 0.0000 0.0000 34004.9338 -149308.7178 296.9735 -183313.6516 -149216.2280 299.2257 1.3332 32.0904 557345.8889 4.1935 4.0792 PRESSURE: 2241600 -132.232 -21.8521 126.101 -21.8524 -293.473 35.5727 126.101 35.5726 -106.209 GPRESSURE: 2241600 -113.428 35.5213 -50.0891 -75.2141 -304.149 106.886 128.503 -24.2185 -10.0052 PRESSAVG: 2241600 -30.0169 41.0018 -26.4494 41.0018 15.9528 -7.89112 -26.4493 -7.89102 -25.6801 GPRESSAVG: 2241600 -29.6637 39.8679 -29.0174 41.4386 14.9537 -5.85571 -23.7062 -11.0374 -24.8888 TIMING: 2241600 CPU: 6497.3, 0.00286562/step Wall: 6497.3, 0.00286562/step, 2.1957 hours remaining, 210.027344 MB of memory in use. ENERGY: 2241600 739.7866 2050.1044 1956.6571 117.6487 -206130.0882 17757.2088 0.0000 0.0000 34276.1228 -149232.5598 299.3419 -183508.6826 -149136.8314 298.6502 -177.3048 -142.5274 557800.7507 -13.2481 -13.1996 PRESSURE: 2241800 -25.6071 -22.5021 58.473 -22.5036 -207.279 23.7338 58.4726 23.7328 -367.486 GPRESSURE: 2241800 32.4722 -83.6682 117.531 14.0572 -183.427 26.7994 -28.2442 43.9412 -337.474 PRESSAVG: 2241800 -37.7556 -0.438875 5.31456 -0.438814 29.9375 18.5523 5.31448 18.5522 15.8305 GPRESSAVG: 2241800 -38.2953 -2.67826 7.56732 1.92409 30.9719 15.7886 1.72375 20.9717 14.5601 TIMING: 2241800 CPU: 6497.87, 0.00286814/step Wall: 6497.87, 0.00286814/step, 2.19747 hours remaining, 210.027344 MB of memory in use. ENERGY: 2241800 767.4892 2123.4503 1922.5132 129.3580 -206261.2679 17732.2707 0.0000 0.0000 34243.9789 -149342.2075 299.0612 -183586.1865 -149257.5072 299.6919 -200.1243 -162.8095 556975.7394 2.6708 2.4122 PRESSURE: 2242000 -138.22 -102.372 108.401 -102.372 -125.051 61.3617 108.4 61.3604 -48.3668 GPRESSURE: 2242000 -84.2825 -202.501 26.5435 -37.3787 -90.0714 -29.618 112.344 61.984 -39.9788 PRESSAVG: 2242000 -21.0713 -48.8905 3.21975 -48.8905 -9.73322 20.7292 3.21967 20.7292 23.062 GPRESSAVG: 2242000 -20.5811 -47.6175 2.23731 -47.9717 -10.3141 20.4027 3.97787 22.0563 23.5058 TIMING: 2242000 CPU: 6498.45, 0.00287141/step Wall: 6498.45, 0.0028714/step, 2.19982 hours remaining, 210.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2242000 720.8491 2104.6120 1946.5883 110.6820 -205869.8227 17670.5603 0.0000 0.0000 34128.3168 -149188.2143 298.0511 -183316.5311 -149095.5717 299.1419 -103.8794 -71.4442 557289.4530 -2.5808 -2.4631 PRESSURE: 2242200 15.7609 -49.7179 -4.50951 -49.7168 258.164 -105.713 -4.50788 -105.713 -102.617 GPRESSURE: 2242200 98.5859 -2.50901 -45.0268 -10.1648 264.483 -92.6945 18.5967 -94.8654 -89.9923 PRESSAVG: 2242200 -62.349 24.1085 67.4606 24.1085 75.6015 7.77857 67.4605 7.7785 -19.4064 GPRESSAVG: 2242200 -62.934 24.4209 66.5631 22.0002 75.3658 7.38481 67.5118 7.00907 -18.5464 TIMING: 2242200 CPU: 6499.02, 0.00286136/step Wall: 6499.02, 0.00286136/step, 2.19196 hours remaining, 210.027344 MB of memory in use. ENERGY: 2242200 734.3598 2038.9003 1981.3634 123.7266 -206234.3306 17869.4659 0.0000 0.0000 34292.4332 -149194.0816 299.4843 -183486.5147 -149103.0519 298.9069 57.1028 91.0257 556774.8532 -2.0513 -2.0382 PRESSURE: 2242400 -25.9967 -12.8334 -89.7836 -12.8351 -45.7564 34.9002 -89.7829 34.9001 -89.9794 GPRESSURE: 2242400 -9.31972 -50.4682 -53.1091 -78.2243 -22.3536 22.3124 -108.077 54.0216 -20.445 PRESSAVG: 2242400 -84.4029 -16.5014 -0.983224 -16.5014 107.178 -49.136 -0.983241 -49.1361 -6.66509 GPRESSAVG: 2242400 -83.3294 -16.7932 -0.484957 -18.3952 108.032 -49.1818 -0.293289 -49.4466 -7.80762 TIMING: 2242400 CPU: 6499.59, 0.00285533/step Wall: 6499.59, 0.00285533/step, 2.18718 hours remaining, 210.027344 MB of memory in use. ENERGY: 2242400 757.4205 2041.1641 1954.6926 101.8112 -206514.8922 17818.6228 0.0000 0.0000 34535.3621 -149305.8189 301.6059 -183841.1810 -149214.2452 299.7259 -53.9108 -17.3727 556493.8348 5.3700 5.6317 PRESSURE: 2242600 296.898 -19.5662 -32.5417 -19.5657 185.635 -177.82 -32.5425 -177.821 247.979 GPRESSURE: 2242600 308.99 -91.2116 -36.3814 -46.1455 173.236 -155.823 -93.3395 -160.473 335.416 PRESSAVG: 2242600 31.8373 5.08632 -8.01625 5.08643 44.1339 -17.2174 -8.01633 -17.2173 -48.5597 GPRESSAVG: 2242600 30.9474 6.46199 -6.50742 5.52101 43.6699 -15.8669 -9.1096 -17.4535 -47.0835 TIMING: 2242600 CPU: 6500.16, 0.00285841/step Wall: 6500.16, 0.00285841/step, 2.18938 hours remaining, 210.027344 MB of memory in use. ENERGY: 2242600 790.9842 2064.5662 1909.9134 107.9708 -206595.3078 18274.0211 0.0000 0.0000 34269.6288 -149178.2231 299.2852 -183447.8520 -149074.8935 299.2489 243.5039 272.5475 557247.1913 9.1372 9.1779 PRESSURE: 2242800 -46.5651 75.578 -124.786 75.5774 -137.553 -177.077 -124.786 -177.077 -139.924 GPRESSURE: 2242800 10.3295 15.3754 -78.6134 21.6907 -92.1863 -63.0786 -163.921 -164.326 -134.11 PRESSAVG: 2242800 -31.4002 38.417 5.88538 38.417 60.5286 -21.7809 5.88529 -21.781 20.4195 GPRESSAVG: 2242800 -31.0678 38.3445 5.56625 39.2088 60.2023 -20.7139 7.27122 -21.6076 19.9867 TIMING: 2242800 CPU: 6500.74, 0.00288267/step Wall: 6500.74, 0.00288267/step, 2.2078 hours remaining, 210.027344 MB of memory in use. ENERGY: 2242800 748.8907 2067.4948 1934.7284 120.6653 -206208.3900 17695.7063 0.0000 0.0000 34288.7034 -149352.2013 299.4518 -183640.9046 -149257.5270 299.1639 -108.0141 -71.9889 558110.7594 16.5160 16.3737 PRESSURE: 2243000 -177.812 51.572 66.7881 51.572 152.407 79.6391 66.7867 79.6388 256.215 GPRESSURE: 2243000 -182.162 35.5073 72.2068 23.6999 205.828 177.044 19.7986 -31.2681 316.968 PRESSAVG: 2243000 -58.3127 8.93551 -27.7811 8.93543 18.5803 15.917 -27.7812 15.917 50.5675 GPRESSAVG: 2243000 -59.1665 8.00509 -26.8638 10.5396 17.8308 14.1567 -28.3923 14.5101 51.4416 TIMING: 2243000 CPU: 6501.32, 0.00287898/step Wall: 6501.32, 0.00287898/step, 2.20482 hours remaining, 210.027344 MB of memory in use. ENERGY: 2243000 710.3144 2079.8025 1947.4884 114.3671 -206531.1536 18085.5868 0.0000 0.0000 34227.5243 -149366.0701 298.9175 -183593.5944 -149274.1376 298.2846 76.9368 113.5448 559314.2067 3.6117 3.3687 PRESSURE: 2243200 14.6132 125.073 -79.1085 125.073 309.863 -160.49 -79.1088 -160.49 299.706 GPRESSURE: 2243200 23.562 37.6597 -98.8445 140.123 355.933 -146.466 -78.7818 -108.85 341.188 PRESSAVG: 2243200 -21.3596 3.38624 -36.8522 3.38611 -12.8349 -44.9983 -36.8522 -44.9984 9.40388 GPRESSAVG: 2243200 -21.7703 3.13345 -38.2653 2.59897 -12.4463 -46.8802 -37.7327 -43.6419 9.2258 TIMING: 2243200 CPU: 6501.89, 0.00287952/step Wall: 6501.89, 0.00287952/step, 2.20507 hours remaining, 210.027344 MB of memory in use. ENERGY: 2243200 732.1879 2072.8130 1952.8747 117.3453 -206835.9074 18282.8786 0.0000 0.0000 34149.9336 -149527.8742 298.2399 -183677.8078 -149432.7834 298.1920 208.0610 240.2277 556682.6744 -8.2635 -8.3303 PRESSURE: 2243400 8.76663 -109.827 -87.6333 -109.827 -26.7381 -299.59 -87.6349 -299.591 97.622 GPRESSURE: 2243400 66.1806 -184.403 -44.9641 -79.5833 72.1501 -310.509 -63.2322 -204.117 45.2974 PRESSAVG: 2243400 21.4352 -50.7981 -62.8106 -50.7981 -29.0999 -38.3536 -62.8107 -38.3536 54.503 GPRESSAVG: 2243400 20.8963 -50.287 -62.9777 -49.8684 -27.2795 -35.2876 -61.6302 -38.3964 52.4398 TIMING: 2243400 CPU: 6502.47, 0.00287287/step Wall: 6502.47, 0.00287287/step, 2.19982 hours remaining, 210.027344 MB of memory in use. ENERGY: 2243400 746.1972 2095.7576 1941.1062 125.9752 -206474.5323 17942.8466 0.0000 0.0000 34123.4425 -149499.2070 298.0085 -183622.6495 -149404.3379 298.3073 26.5502 61.2094 557197.2706 15.6128 15.3522 PRESSURE: 2243600 -190.028 50.1019 166.166 50.1019 113.03 77.658 166.169 77.6572 -29.1331 GPRESSURE: 2243600 -163.204 110.624 234.083 27.0198 124.856 59.4553 157.789 123.265 30.1233 PRESSAVG: 2243600 60.0867 -40.452 54.3574 -40.4521 2.25698 7.17008 54.3575 7.17 -34.6185 GPRESSAVG: 2243600 61.2604 -39.8103 55.8523 -42.3646 0.0125254 7.28627 53.1719 6.96708 -33.8336 TIMING: 2243600 CPU: 6503.04, 0.00286826/step Wall: 6503.04, 0.00286826/step, 2.19613 hours remaining, 210.027344 MB of memory in use. ENERGY: 2243600 772.1198 2049.0527 1934.5301 107.7323 -206227.9009 17820.2960 0.0000 0.0000 34092.0500 -149452.1198 297.7344 -183544.1698 -149355.0971 298.3114 -35.3771 -2.7414 557531.0991 9.2417 9.1464 PRESSURE: 2243800 -51.3081 -59.3595 61.6988 -59.3597 -100.153 -27.5225 61.6982 -27.5213 80.4991 GPRESSURE: 2243800 -39.7644 3.41336 10.5366 -53.2498 -1.13653 -5.13422 75.7955 -71.2718 72.3846 PRESSAVG: 2243800 12.909 70.6998 -6.09646 70.6998 15.8049 28.0674 -6.09645 28.0673 -40.4766 GPRESSAVG: 2243800 13.0466 70.9486 -7.67708 71.7349 16.1161 26.1193 -5.24025 28.7665 -40.6081 TIMING: 2243800 CPU: 6503.61, 0.0028687/step Wall: 6503.61, 0.0028687/step, 2.19631 hours remaining, 210.027344 MB of memory in use. ENERGY: 2243800 703.8716 2012.9954 1946.7596 118.0894 -206088.6298 17721.8238 0.0000 0.0000 34101.6270 -149483.4629 297.8180 -183585.0900 -149384.8030 298.9904 -23.6541 10.4946 557559.4090 -3.9209 -3.8151 PRESSURE: 2244000 -102.264 -49.4287 -97.4585 -49.4298 125.528 100.105 -97.4593 100.105 -161.349 GPRESSURE: 2244000 -94.217 -85.9021 -52.2983 -67.7825 188.816 87.4534 -236.828 69.0845 -136.444 PRESSAVG: 2244000 67.5491 13.0212 -21.9979 13.0212 -85.9896 30.9181 -21.9979 30.9181 35.721 GPRESSAVG: 2244000 67.4688 13.0623 -20.7896 10.8512 -85.9098 33.2987 -23.5722 29.341 35.9787 TIMING: 2244000 CPU: 6504.19, 0.00286715/step Wall: 6504.19, 0.00286715/step, 2.19496 hours remaining, 210.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2244000 730.5241 2052.7026 1955.7146 111.2053 -206267.8941 17663.9765 0.0000 0.0000 34214.3252 -149539.4459 298.8022 -183753.7711 -149438.5650 298.7031 -46.0282 -13.9483 557950.7378 5.7602 5.8459 PRESSURE: 2244200 274.797 27.5159 30.2352 27.5165 63.7927 -27.4027 30.2348 -27.4002 54.8538 GPRESSURE: 2244200 258.528 13.658 3.17136 37.6963 140.535 -52.959 -27.5604 -59.4718 78.7088 PRESSAVG: 2244200 11.676 8.23744 -10.5323 8.23736 45.8066 29.7847 -10.5324 29.7847 -46.0369 GPRESSAVG: 2244200 11.8341 9.17154 -12.1067 10.0742 45.4941 27.812 -9.68981 31.1618 -45.992 TIMING: 2244200 CPU: 6504.76, 0.00288521/step Wall: 6504.76, 0.00288521/step, 2.20863 hours remaining, 210.027344 MB of memory in use. ENERGY: 2244200 764.1591 2041.9536 1937.6317 98.5461 -206474.3779 18008.0457 0.0000 0.0000 34183.2561 -149440.7857 298.5309 -183624.0418 -149351.1625 297.5778 131.1477 159.2572 556869.0769 3.8152 3.7787 LDB: ============= START OF LOAD BALANCING ============== 6508.15 LDB: ============== END OF LOAD BALANCING =============== 6508.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6508.15 LDB: ============= START OF LOAD BALANCING ============== 6508.44 LDB: Largest compute 4820 load 0.023907 is 20.3% of average load 0.117918 LDB: Average compute 0.001746 is 1.5% of average load 0.117918 LDB: TIME 6508.44 LOAD: AVG 0.117918 MAX 0.179963 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.773 MB LDB: TIME 6508.44 LOAD: AVG 0.117918 MAX 0.179963 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.773 MB LDB: TIME 6508.44 LOAD: AVG 0.117918 MAX 0.179963 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.773 MB LDB: ============== END OF LOAD BALANCING =============== 6508.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6508.45 PRESSURE: 2244400 248.616 7.34726 -7.07907 7.34662 129.106 -22.1598 -7.07966 -22.1608 474.845 GPRESSURE: 2244400 251.006 28.11 -7.95175 74.1407 163.788 -5.89564 -65.7919 -74.4645 520.44 PRESSAVG: 2244400 -19.9716 23.4862 -1.46471 23.4862 -4.94914 59.4666 -1.46477 59.4666 19.3138 GPRESSAVG: 2244400 -21.0845 22.538 -2.26601 24.448 -4.82565 60.9927 -0.10674 58.2985 19.882 TIMING: 2244400 CPU: 6505.35, 0.00293726/step Wall: 6505.35, 0.00293726/step, 2.24831 hours remaining, 209.476562 MB of memory in use. ENERGY: 2244400 728.0409 2058.2564 1962.5197 122.2364 -206628.1804 18189.6355 0.0000 0.0000 34173.1838 -149394.3077 298.4429 -183567.4915 -149296.1278 298.7032 284.1891 311.7445 556590.1540 -1.8690 -2.0094 PRESSURE: 2244600 84.3757 100.119 72.1227 100.12 -213.4 249.97 72.1215 249.972 38.2999 GPRESSURE: 2244600 79.9308 98.9609 67.4575 1.23653 -150.751 299.928 123.532 264.097 74.9409 PRESSAVG: 2244600 52.5358 37.759 25.9682 37.7589 -8.79153 42.3183 25.9681 42.3182 -34.0426 GPRESSAVG: 2244600 53.3877 39.9294 28.3274 36.7034 -9.98373 41.642 24.7947 44.0485 -34.0095 TIMING: 2244600 CPU: 6505.93, 0.00290648/step Wall: 6505.93, 0.00290648/step, 2.22459 hours remaining, 209.679688 MB of memory in use. ENERGY: 2244600 726.4467 2057.1633 1897.8076 115.6136 -206729.8832 18015.2250 0.0000 0.0000 34409.4864 -149508.1407 300.5066 -183917.6271 -149413.6017 298.7061 -30.2416 1.3735 556403.8025 3.2339 3.1315 PRESSURE: 2244800 -173.651 -105.228 -151.277 -105.228 -172.46 38.4639 -151.277 38.4639 -62.0765 GPRESSURE: 2244800 -156.12 -127.247 -159.062 -47.8738 -93.5484 3.4916 -133.389 83.0898 -65.2807 PRESSAVG: 2244800 61.0559 7.30625 31.4069 7.30616 -49.0434 14.7943 31.4069 14.7942 -15.4748 GPRESSAVG: 2244800 61.9334 4.40785 30.2893 7.98428 -48.9188 13.4844 32.5213 15.2108 -16.5683 TIMING: 2244800 CPU: 6506.51, 0.00289514/step Wall: 6506.51, 0.00289514/step, 2.21575 hours remaining, 209.679688 MB of memory in use. ENERGY: 2244800 718.9557 2027.7835 1945.2076 120.5130 -206392.1279 17683.2976 0.0000 0.0000 34207.5456 -149688.8249 298.7430 -183896.3705 -149592.9232 298.5300 -136.0627 -104.9830 556198.9920 -1.1541 -1.1846 PRESSURE: 2245000 -95.9827 -55.1918 -93.0945 -55.1922 -76.7648 73.0913 -93.0932 73.0936 -115.038 GPRESSURE: 2245000 -82.9347 -71.3314 -109.811 -59.0574 -78.0553 65.6635 0.712143 60.7959 -25.2709 PRESSAVG: 2245000 53.1513 -46.8977 8.41202 -46.8977 -39.0374 18.5701 8.41209 18.5702 -1.62163 GPRESSAVG: 2245000 52.501 -46.2113 9.17928 -48.9503 -40.556 20.5914 9.86418 17.0897 0.920076 TIMING: 2245000 CPU: 6507.09, 0.00286784/step Wall: 6507.09, 0.00286784/step, 2.19469 hours remaining, 209.882812 MB of memory in use. ENERGY: 2245000 754.8082 2104.4603 1942.1190 98.1778 -206142.3705 17622.9175 0.0000 0.0000 33994.1865 -149625.7011 296.8797 -183619.8876 -149530.0372 298.6703 -95.9286 -62.0870 555531.0399 4.1641 4.2884 PRESSURE: 2245200 76.8029 -95.6919 193.335 -95.691 -41.1704 59.8844 193.334 59.8835 -125.893 GPRESSURE: 2245200 97.4724 -12.447 195.493 -220.114 -24.2993 96.3687 75.6111 -41.5558 -65.2011 PRESSAVG: 2245200 31.0342 -63.1114 5.50062 -63.1113 -5.93494 5.32209 5.50061 5.32217 -21.8476 GPRESSAVG: 2245200 31.419 -63.0581 5.62797 -62.3584 -4.88805 6.10605 3.15192 5.27637 -22.7092 TIMING: 2245200 CPU: 6507.66, 0.00286366/step Wall: 6507.66, 0.00286366/step, 2.19134 hours remaining, 209.882812 MB of memory in use. ENERGY: 2245200 753.7775 2060.5686 1953.0685 110.8389 -206632.0872 17826.9184 0.0000 0.0000 34374.6580 -149552.2573 300.2024 -183926.9153 -149453.4746 298.5626 -30.0870 2.6573 555562.9430 1.0839 1.2739 PRESSURE: 2245400 -279.319 10.9987 90.2645 10.9971 -123.057 0.641904 90.2646 0.641258 92.3028 GPRESSURE: 2245400 -238.173 -58.4029 80.4415 26.4157 -116.568 4.53628 96.5621 24.0946 130.006 PRESSAVG: 2245400 -5.13511 -11.7024 -5.34891 -11.7022 6.23631 6.33934 -5.34908 6.33943 38.1977 GPRESSAVG: 2245400 -6.37504 -11.1261 -6.5765 -11.4104 7.47646 3.26267 -4.39184 8.23155 37.9501 TIMING: 2245400 CPU: 6508.23, 0.00286687/step Wall: 6508.23, 0.00286687/step, 2.19364 hours remaining, 209.882812 MB of memory in use. ENERGY: 2245400 747.4980 2077.5455 1985.2775 113.2754 -206371.1837 17623.4317 0.0000 0.0000 34278.8221 -149545.3335 299.3655 -183824.1556 -149445.5342 299.0525 -103.3580 -74.9118 555952.2908 13.0996 13.0172 PRESSURE: 2245600 9.09168 88.9016 172.847 88.9021 -102.015 170.441 172.846 170.443 -60.0843 GPRESSURE: 2245600 83.5608 60.8892 147.751 16.7755 -76.0077 65.9738 182.049 105.77 -66.928 PRESSAVG: 2245600 -6.77031 -15.6014 22.1278 -15.6015 -29.6068 3.75974 22.1278 3.75973 35.0495 GPRESSAVG: 2245600 -6.57963 -15.707 23.1327 -14.4172 -29.6536 4.97167 21.4382 2.32417 34.8305 TIMING: 2245600 CPU: 6508.81, 0.00287433/step Wall: 6508.81, 0.00287433/step, 2.19918 hours remaining, 209.882812 MB of memory in use. ENERGY: 2245600 739.5994 2110.5020 1943.9017 106.0039 -206362.0321 17707.2099 0.0000 0.0000 34203.4673 -149551.3478 298.7074 -183754.8152 -149456.7222 298.4126 -51.0026 -19.7916 554801.7749 -0.4425 -0.4676 PRESSURE: 2245800 175.22 -38.0684 -166.941 -38.0681 243.847 -90.575 -166.94 -90.5772 110.102 GPRESSURE: 2245800 253.497 -61.4932 -32.3644 -56.8001 225.83 -58.9917 -271.937 -29.5513 138.466 PRESSAVG: 2245800 -30.88 -4.22646 25.0472 -4.22649 -2.9064 -15.3519 25.0471 -15.3518 -18.7179 GPRESSAVG: 2245800 -30.3647 -3.82629 27.4743 -5.78164 -3.57217 -14.9145 24.017 -13.8153 -18.8641 TIMING: 2245800 CPU: 6509.38, 0.00286512/step Wall: 6509.38, 0.00286512/step, 2.19197 hours remaining, 209.882812 MB of memory in use. ENERGY: 2245800 729.4376 2149.2483 1932.9510 112.8888 -206714.2575 18078.8628 0.0000 0.0000 34214.4541 -149496.4150 298.8033 -183710.8690 -149403.5017 298.4162 176.3896 205.9311 556746.1207 -17.5014 -17.6003 PRESSURE: 2246000 33.0592 134.193 -28.0308 134.193 129.64 18.9003 -28.0303 18.8995 -102.88 GPRESSURE: 2246000 15.5996 95.7856 -12.1341 129.645 124.29 6.44186 -39.1267 18.7483 2.83296 PRESSAVG: 2246000 -11.4168 -30.3824 14.5003 -30.3825 36.9338 59.9093 14.5001 59.9094 -21.6899 GPRESSAVG: 2246000 -10.9884 -29.9617 11.2104 -30.6313 36.704 59.399 15.5561 58.7356 -21.8157 TIMING: 2246000 CPU: 6509.96, 0.00288263/step Wall: 6509.96, 0.00288263/step, 2.20521 hours remaining, 209.882812 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: 2246000 810.3817 2099.5200 1925.2963 108.4010 -206765.1501 18009.8368 0.0000 0.0000 34291.0796 -149520.6346 299.4725 -183811.7143 -149425.8136 298.3640 19.9398 47.5742 556703.3859 1.2757 1.3000 PRESSURE: 2246200 -4.38232 -50.2646 -202.616 -50.2653 238.232 -42.0344 -202.616 -42.0346 410.554 GPRESSURE: 2246200 41.4405 7.4746 -276.68 -98.3212 277.453 0.348227 -156.444 -128.498 438.32 PRESSAVG: 2246200 -7.40814 3.90561 -13.4239 3.90553 -9.71676 -16.5607 -13.424 -16.5607 104.433 GPRESSAVG: 2246200 -8.27365 1.11463 -12.6043 4.06505 -9.6038 -15.3794 -14.6559 -18.2418 105.019 TIMING: 2246200 CPU: 6510.53, 0.00286822/step Wall: 6510.53, 0.00286822/step, 2.19403 hours remaining, 209.882812 MB of memory in use. ENERGY: 2246200 715.3945 2102.7425 1942.6637 111.0666 -206633.8264 18113.2573 0.0000 0.0000 34383.5797 -149265.1220 300.2804 -183648.7018 -149178.3164 298.8718 214.8013 252.4043 555214.6926 29.1027 29.0473 PRESSURE: 2246400 199.159 99.6661 -67.912 99.6656 -18.556 -66.5354 -67.9123 -66.5342 39.6644 GPRESSURE: 2246400 169.213 142.993 -135.048 107.761 43.6125 -154.497 -93.3994 30.207 97.6746 PRESSAVG: 2246400 37.46 35.475 -0.918213 35.475 35.7465 -25.061 -0.918271 -25.0609 -48.214 GPRESSAVG: 2246400 38.2139 36.8645 0.622582 34.8397 35.8382 -25.1877 -0.198383 -22.6705 -49.4537 TIMING: 2246400 CPU: 6511.1, 0.00286391/step Wall: 6511.1, 0.00286391/step, 2.19057 hours remaining, 209.882812 MB of memory in use. ENERGY: 2246400 732.9395 2155.6403 1922.4959 111.1726 -206366.2358 17933.5596 0.0000 0.0000 34077.3790 -149433.0488 297.6062 -183510.4278 -149338.2094 298.7517 73.4224 103.5002 556890.9856 8.3308 8.1995 PRESSURE: 2246600 -69.7839 69.9911 35.9245 69.9903 34.3169 -75.4662 35.9241 -75.4676 -177.641 GPRESSURE: 2246600 -35.0831 10.9451 -6.31801 3.60961 75.5339 -170.122 82.1533 -83.1533 -154.493 PRESSAVG: 2246600 -12.9499 33.0495 -10.5755 33.0495 -20.2901 56.8274 -10.5755 56.8274 39.4629 GPRESSAVG: 2246600 -13.1659 32.4147 -9.59567 33.3084 -18.8251 56.8562 -9.77442 56.318 38.6256 TIMING: 2246600 CPU: 6511.68, 0.00286489/step Wall: 6511.68, 0.00286489/step, 2.19116 hours remaining, 209.882812 MB of memory in use. ENERGY: 2246600 773.8533 2134.9409 1926.9397 105.9401 -206013.1925 17734.9144 0.0000 0.0000 34060.6286 -149275.9756 297.4599 -183336.6042 -149180.8121 298.7095 -71.0361 -38.0142 557843.9817 2.0743 2.2115 PRESSURE: 2246800 137.391 152.216 18.187 152.218 -50.6767 205.068 18.1871 205.067 115.017 GPRESSURE: 2246800 140.091 182.932 73.9732 45.4063 24.866 154.684 16.6766 197.476 135.461 PRESSAVG: 2246800 19.1743 -27.1376 19.7638 -27.1375 0.913947 57.1923 19.7638 57.1922 -23.8601 GPRESSAVG: 2246800 18.5557 -27.3709 18.7249 -27.9828 0.620291 56.3776 19.6668 56.8579 -22.5171 TIMING: 2246800 CPU: 6512.24, 0.00283912/step Wall: 6512.24, 0.00283911/step, 2.17129 hours remaining, 209.882812 MB of memory in use. ENERGY: 2246800 748.6715 2077.2503 1948.5436 114.8761 -206420.6148 17902.1424 0.0000 0.0000 34275.2131 -149353.9179 299.3340 -183629.1310 -149256.7259 298.7901 67.2439 100.1396 556272.0455 -1.2573 -1.1137 PRESSURE: 2247000 -133.494 92.7147 -107.064 92.7148 -150.331 112.764 -107.065 112.764 -133.518 GPRESSURE: 2247000 -19.9746 113.391 -82.1784 46.8816 -154.612 102.593 -68.9358 164.675 -140.196 PRESSAVG: 2247000 -16.5786 -8.31253 32.7365 -8.31261 1.8178 33.4005 32.7365 33.4005 34.5074 GPRESSAVG: 2247000 -16.1653 -8.39802 31.3388 -9.33988 1.01286 34.9828 33.4928 33.4428 35.1565 TIMING: 2247000 CPU: 6512.81, 0.00285607/step Wall: 6512.81, 0.00285607/step, 2.1841 hours remaining, 209.882812 MB of memory in use. ENERGY: 2247000 745.2259 2042.1080 1953.4214 115.3163 -205784.5283 17496.6939 0.0000 0.0000 34124.7557 -149307.0071 298.0200 -183431.7628 -149209.8595 298.5519 -139.1146 -104.9274 557246.6229 6.5822 6.6680 PRESSURE: 2247200 46.3691 55.1169 -86.1291 55.1171 265.298 18.8752 -86.1297 18.8763 -136.275 GPRESSURE: 2247200 36.3344 17.1475 -90.1965 43.4516 322.464 -13.6537 -53.4616 132.759 -79.9068 PRESSAVG: 2247200 -68.0974 -2.75763 35.4266 -2.75765 49.8097 43.2735 35.4268 43.2735 -16.2988 GPRESSAVG: 2247200 -68.6534 -1.9494 35.2049 0.0352536 50.1132 41.4632 36.1168 43.5663 -16.4567 TIMING: 2247200 CPU: 6513.39, 0.00287289/step Wall: 6513.39, 0.00287289/step, 2.1968 hours remaining, 209.882812 MB of memory in use. ENERGY: 2247200 725.3171 2026.8802 1950.8560 111.8618 -205872.2227 17705.5341 0.0000 0.0000 34186.7945 -149164.9789 298.5618 -183351.7734 -149063.3867 299.6297 58.4641 92.9638 557555.5742 -11.5288 -11.6656 PRESSURE: 2247400 -89.1502 -10.4383 81.3953 -10.4388 193.39 -24.9616 81.3948 -24.9619 323.152 GPRESSURE: 2247400 -15.2289 -3.17579 163.162 -0.301209 212.461 26.6694 12.6351 -12.1949 330.164 PRESSAVG: 2247400 -47.6757 2.44033 -10.7727 2.44044 161.116 3.97607 -10.7726 3.97592 -63.88 GPRESSAVG: 2247400 -46.4378 2.26259 -7.26282 1.17388 160.774 4.7953 -11.765 4.04005 -64.7182 TIMING: 2247400 CPU: 6513.96, 0.00285625/step Wall: 6513.96, 0.00285625/step, 2.18392 hours remaining, 209.882812 MB of memory in use. ENERGY: 2247400 751.8767 2047.9195 1958.4209 110.5181 -205879.3110 17821.5985 0.0000 0.0000 34250.5941 -148938.3834 299.1190 -183188.9775 -148848.4312 300.0743 142.4641 175.7989 556744.0541 16.5202 16.5394 PRESSURE: 2247600 -88.2535 -24.1314 30.4381 -24.1315 161.739 -64.6354 30.4374 -64.6355 -292.519 GPRESSURE: 2247600 -9.32336 -40.3888 23.8854 -57.7422 193.606 -42.7243 80.9821 -55.7233 -311.497 PRESSAVG: 2247600 -69.4868 50.4219 -1.60498 50.4219 92.847 -1.76245 -1.60499 -1.76247 -6.28265 GPRESSAVG: 2247600 -70.2425 52.0076 -5.38766 51.1026 93.312 -3.63863 -1.48767 -1.92379 -5.58942 TIMING: 2247600 CPU: 6514.53, 0.00286537/step Wall: 6514.53, 0.00286537/step, 2.19074 hours remaining, 209.882812 MB of memory in use. ENERGY: 2247600 771.1102 2099.9886 1956.2649 118.6935 -206043.1874 17750.4294 0.0000 0.0000 34387.0284 -148959.6723 300.3105 -183346.7007 -148861.6530 298.6251 -73.0112 -42.4048 557955.7883 5.6925 5.8267 PRESSURE: 2247800 -230.406 46.4484 -27.6018 46.448 -133.561 -84.9939 -27.6023 -84.9921 -107.048 GPRESSURE: 2247800 -202.479 61.7338 -111.43 4.63934 -117.831 -64.1108 13.8819 -160.084 -49.2153 PRESSAVG: 2247800 -70.4215 30.9832 -45.2653 30.9832 118.03 8.28565 -45.2653 8.28562 -48.3559 GPRESSAVG: 2247800 -71.083 31.999 -42.3105 29.5589 118.098 11.5207 -46.7565 6.27281 -48.265 TIMING: 2247800 CPU: 6515.11, 0.00287096/step Wall: 6515.11, 0.00287096/step, 2.19485 hours remaining, 209.882812 MB of memory in use. ENERGY: 2247800 756.0070 2074.6604 1961.7700 109.6274 -205672.5031 17570.6736 0.0000 0.0000 34381.8251 -148817.9396 300.2650 -183199.7647 -148719.4393 300.3565 -157.0049 -123.1750 558705.3354 -0.2491 -0.4167 PRESSURE: 2248000 -147.346 -37.741 38.2327 -37.7407 163.666 -15.2022 38.2308 -15.2019 -397.706 GPRESSURE: 2248000 -114.99 -15.4605 47.504 -30.9852 165.627 -69.5945 47.9315 90.1998 -325.609 PRESSAVG: 2248000 7.20495 -41.4778 -14.7865 -41.4778 27.8834 -41.1395 -14.7865 -41.1396 -44.6652 GPRESSAVG: 2248000 8.34205 -43.5171 -15.8871 -40.6494 27.3053 -41.27 -13.8638 -38.4319 -45.3109 TIMING: 2248000 CPU: 6515.69, 0.00289648/step Wall: 6515.69, 0.00289648/step, 2.2142 hours remaining, 209.882812 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: 2248000 696.4269 2084.8067 1941.3061 123.2872 -205350.0633 17432.6356 0.0000 0.0000 34115.1559 -148956.4449 297.9361 -183071.6008 -148863.3405 299.8199 -127.1286 -91.6575 559284.2023 -3.1923 -3.2212 PRESSURE: 2248200 -446.172 32.9748 65.7192 32.976 335.307 -5.82214 65.7185 -5.82315 5.69857 GPRESSURE: 2248200 -427.054 70.0279 39.1911 -38.0752 409.852 41.484 -13.6502 -41.2372 4.16029 PRESSAVG: 2248200 -25.5767 -47.3893 -2.50903 -47.3894 76.9184 73.7715 -2.50892 73.7715 -27.9315 GPRESSAVG: 2248200 -26.1333 -47.1043 -3.74996 -46.3504 76.3549 73.6936 -2.12034 73.1426 -26.7903 TIMING: 2248200 CPU: 6516.26, 0.00288755/step Wall: 6516.26, 0.00288755/step, 2.20721 hours remaining, 209.882812 MB of memory in use. ENERGY: 2248200 774.5692 2131.2255 1976.2210 106.4969 -205982.5253 17826.0306 0.0000 0.0000 34181.0014 -148986.9808 298.5112 -183167.9822 -148889.4485 299.4412 -35.0554 -4.3474 557658.4888 7.8034 7.8104 LDB: ============= START OF LOAD BALANCING ============== 6519.65 LDB: ============== END OF LOAD BALANCING =============== 6519.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6519.65 LDB: ============= START OF LOAD BALANCING ============== 6519.94 LDB: Largest compute 4820 load 0.022715 is 19.3% of average load 0.117930 LDB: Average compute 0.001747 is 1.5% of average load 0.117930 LDB: TIME 6519.94 LOAD: AVG 0.11793 MAX 0.178044 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.711 MB LDB: TIME 6519.94 LOAD: AVG 0.11793 MAX 0.178044 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.711 MB LDB: TIME 6519.94 LOAD: AVG 0.11793 MAX 0.178044 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6519.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6519.95 PRESSURE: 2248400 -170.712 -46.5733 -146.245 -46.5735 257.277 -111.975 -146.245 -111.974 114.791 GPRESSURE: 2248400 -141.624 -3.35444 -84.0794 -66.3533 328.239 -103.968 -133.122 -82.1493 105.483 PRESSAVG: 2248400 -98.835 -68.5489 -23.7537 -68.549 89.0611 -21.0487 -23.7536 -21.0487 -29.3905 GPRESSAVG: 2248400 -98.2757 -69.7884 -24.1811 -69.5319 89.0559 -23.167 -22.492 -21.4495 -30.3952 TIMING: 2248400 CPU: 6516.85, 0.002929/step Wall: 6516.85, 0.002929/step, 2.23873 hours remaining, 209.156250 MB of memory in use. ENERGY: 2248400 750.3536 2103.6919 1960.4776 122.2853 -206178.5800 17912.4946 0.0000 0.0000 34405.4897 -148923.7873 300.4717 -183329.2770 -148826.7068 299.6092 67.1185 97.3660 558461.7582 -13.0548 -13.2050 PRESSURE: 2248600 63.4257 -95.705 116.555 -95.7052 51.0145 66.7371 116.555 66.7378 10.0048 GPRESSURE: 2248600 74.7365 -76.0907 104.144 -95.3049 161.54 -62.3223 94.1744 93.7302 -12.1826 PRESSAVG: 2248600 -23.2515 -18.5758 -40.8195 -18.5758 59.293 36.2283 -40.8195 36.2284 6.41707 GPRESSAVG: 2248600 -23.3159 -17.7819 -39.7302 -16.2085 59.0222 36.4908 -42.0391 36.9074 7.0213 TIMING: 2248600 CPU: 6517.43, 0.00287534/step Wall: 6517.43, 0.00287534/step, 2.19756 hours remaining, 209.414062 MB of memory in use. ENERGY: 2248600 765.7980 2108.2238 1959.6963 115.4189 -206288.0097 17937.1694 0.0000 0.0000 34469.0323 -148932.6710 301.0266 -183401.7033 -148842.8994 300.4005 41.4817 74.6981 557534.4220 14.1529 14.2425 PRESSURE: 2248800 -189.95 25.6418 20.3906 25.6427 33.2339 97.7479 20.3902 97.7468 -187.947 GPRESSURE: 2248800 -112.789 79.837 4.18208 -5.04403 0.525129 141.727 -14.5459 128.826 -132.079 PRESSAVG: 2248800 -9.6624 -29.8118 -16.0012 -29.8117 73.8652 79.3653 -16.0012 79.3653 -0.276122 GPRESSAVG: 2248800 -9.6969 -29.2253 -17.6418 -31.7977 74.7668 81.7811 -18.7149 76.7985 -1.45017 TIMING: 2248800 CPU: 6518, 0.00289734/step Wall: 6518, 0.00289734/step, 2.21421 hours remaining, 209.414062 MB of memory in use. ENERGY: 2248800 782.3618 2114.1911 1946.6072 109.8259 -205957.7747 17843.2455 0.0000 0.0000 34295.1928 -148866.3505 299.5084 -183161.5433 -148777.1120 300.6965 -114.8877 -81.4477 558569.8262 21.3089 21.2066 PRESSURE: 2249000 4.5026 10.2136 -82.5364 10.2146 338.491 -66.8692 -82.5362 -66.8698 -13.4241 GPRESSURE: 2249000 36.4315 -14.3672 -50.1224 43.7403 370.499 -22.3611 -187.142 -32.5517 24.7864 PRESSAVG: 2249000 -9.62856 -14.5949 13.9735 -14.5948 24.605 -20.7261 13.9735 -20.726 -3.44504 GPRESSAVG: 2249000 -9.88566 -16.1726 14.5842 -13.6832 23.4679 -22.9269 15.6112 -17.9626 -2.29078 TIMING: 2249000 CPU: 6518.58, 0.00288934/step Wall: 6518.58, 0.00288934/step, 2.20794 hours remaining, 209.414062 MB of memory in use. ENERGY: 2249000 757.8206 2119.1627 1935.7549 116.0672 -206120.2060 17795.2703 0.0000 0.0000 34385.8750 -149010.2553 300.3004 -183396.1303 -148910.9796 299.8606 109.8563 143.9058 555402.2812 3.8438 3.7638 PRESSURE: 2249200 29.2428 76.0175 -2.66544 76.0191 -269.776 -164.937 -2.66656 -164.937 -104.719 GPRESSURE: 2249200 -4.87145 143.454 -21.824 -26.0756 -227.781 -237.893 66.3471 -110.22 -30.6925 PRESSAVG: 2249200 -33.2053 31.0817 -16.0704 31.0817 -50.8189 -69.713 -16.0704 -69.713 18.2801 GPRESSAVG: 2249200 -34.1581 32.1026 -16.5149 30.2125 -49.66 -68.9984 -13.7227 -70.9632 17.981 TIMING: 2249200 CPU: 6519.16, 0.0028857/step Wall: 6519.16, 0.0028857/step, 2.20499 hours remaining, 209.414062 MB of memory in use. ENERGY: 2249200 757.5230 2082.5234 1954.9151 122.8374 -205751.9208 17555.3450 0.0000 0.0000 34343.2209 -148935.5561 299.9279 -183278.7769 -148830.5979 299.8893 -115.0843 -87.7815 557825.0177 -21.9147 -21.9457 PRESSURE: 2249400 117.628 -18.474 -81.3039 -18.4734 177.345 -100.399 -81.3042 -100.399 5.25864 GPRESSURE: 2249400 183.31 -46.2587 -59.4647 11.5055 196.641 -79.4404 -44.5562 -149.804 15.1153 PRESSAVG: 2249400 92.1315 7.44152 38.8812 7.4415 -68.4924 -3.67305 38.8813 -3.67304 -7.6951 GPRESSAVG: 2249400 92.5878 7.4157 39.4721 9.17446 -68.7348 -5.5996 37.9885 0.225951 -8.15152 TIMING: 2249400 CPU: 6519.74, 0.00290831/step Wall: 6519.74, 0.00290831/step, 2.22211 hours remaining, 209.414062 MB of memory in use. ENERGY: 2249400 745.1340 2057.9502 1996.8201 116.2778 -206206.8467 17913.6105 0.0000 0.0000 34451.0335 -148926.0206 300.8694 -183377.0541 -148832.2093 299.7549 100.0774 131.6886 557524.7970 5.3147 5.2338 PRESSURE: 2249600 -125.642 29.0961 50.5065 29.0966 -256.351 103.96 50.5067 103.958 -46.7076 GPRESSURE: 2249600 -91.7315 81.8655 -4.48023 45.0937 -189.126 61.022 115.207 66.3731 -49.5437 PRESSAVG: 2249600 41.3678 30.43 34.8425 30.4299 -4.00524 -42.9073 34.8425 -42.9072 -17.4413 GPRESSAVG: 2249600 39.655 29.1408 34.7806 30.075 -3.80038 -41.7101 35.0525 -43.6874 -16.0798 TIMING: 2249600 CPU: 6520.33, 0.00292084/step Wall: 6520.33, 0.00292084/step, 2.23152 hours remaining, 209.414062 MB of memory in use. ENERGY: 2249600 752.5732 2071.0856 1924.7198 122.8456 -206108.4087 17775.2187 0.0000 0.0000 34507.3997 -148954.5661 301.3617 -183461.9658 -148857.3332 300.4410 -142.9003 -110.1337 558559.0201 6.6404 6.5916 PRESSURE: 2249800 411.842 -138.004 -95.7195 -138.005 123.709 -9.21265 -95.72 -9.21328 259.158 GPRESSURE: 2249800 380.755 -120.452 16.6555 -132.762 205.107 -52.0461 -153.785 -36.4732 298.501 PRESSAVG: 2249800 52.3818 -23.1336 -37.8204 -23.1336 42.5161 19.8157 -37.8204 19.8158 -42.1155 GPRESSAVG: 2249800 53.3693 -22.1528 -37.2296 -23.1382 42.3085 21.682 -39.2121 16.9369 -41.9977 TIMING: 2249800 CPU: 6520.9, 0.0028916/step Wall: 6520.9, 0.0028916/step, 2.20902 hours remaining, 209.476562 MB of memory in use. ENERGY: 2249800 775.8418 2069.1167 1950.6717 118.4802 -206687.5700 18260.3169 0.0000 0.0000 34460.3034 -149052.8392 300.9504 -183513.1426 -148962.2376 300.0938 264.9032 294.7877 556544.4832 17.5941 17.8934 PRESSURE: 2250000 56.347 33.2833 103.647 33.2845 68.268 8.49392 103.646 8.49364 -87.284 GPRESSURE: 2250000 99.1322 109.883 89.5292 -15.7833 119.179 -22.2901 112.017 53.859 -77.6249 PRESSAVG: 2250000 73.5636 8.54786 -0.967733 8.54778 -15.5628 -24.7279 -0.967671 -24.7279 -61.7214 GPRESSAVG: 2250000 73.0914 9.25691 -1.707 8.5222 -15.3028 -28.9567 0.559029 -22.6891 -62.2587 TIMING: 2250000 CPU: 6521.49, 0.0029105/step Wall: 6521.49, 0.0029105/step, 2.2233 hours remaining, 209.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2250000 741.6157 2017.2801 1965.7154 119.1818 -206184.7255 17848.8900 0.0000 0.0000 34355.4179 -149136.6246 300.0344 -183492.0426 -149036.4318 299.9916 12.4437 46.8954 557072.4544 -1.2402 -1.4900 PRESSURE: 2250200 109.982 -44.1033 189.82 -44.1047 50.2527 -88.364 189.82 -88.3645 -61.4864 GPRESSURE: 2250200 121.735 -28.1353 111.187 -54.9757 104.041 -124.858 176.298 -41.5121 -11.4525 PRESSAVG: 2250200 35.0037 10.9386 -10.1669 10.9386 -3.99507 -6.72284 -10.167 -6.72289 -19.077 GPRESSAVG: 2250200 34.4282 11.3849 -9.72347 11.4143 -4.29235 -4.03335 -13.7803 -7.14813 -18.0667 TIMING: 2250200 CPU: 6522.06, 0.00287474/step Wall: 6522.06, 0.00287474/step, 2.19582 hours remaining, 209.476562 MB of memory in use. ENERGY: 2250200 724.0455 2103.6452 1962.8356 125.4270 -206383.0676 17826.9039 0.0000 0.0000 34468.3723 -149171.8382 301.0209 -183640.2105 -149075.5189 299.2102 32.9162 71.4413 556417.3297 3.9772 4.0231 PRESSURE: 2250400 -57.2146 10.809 79.2916 10.8099 -211.524 124.69 79.2907 124.691 135.167 GPRESSURE: 2250400 -34.2359 -25.5339 -8.62169 60.0903 -199.919 219.349 27.9959 -10.9104 198.964 PRESSAVG: 2250400 23.8078 2.78883 6.06522 2.78887 72.781 0.796708 6.0652 0.796707 -83.1917 GPRESSAVG: 2250400 25.7593 1.8775 5.88067 1.7867 71.0233 -0.0429208 7.96487 0.819266 -83.1255 TIMING: 2250400 CPU: 6522.64, 0.00290468/step Wall: 6522.64, 0.00290468/step, 2.21853 hours remaining, 209.476562 MB of memory in use. ENERGY: 2250400 763.9573 2083.7787 1932.7580 116.1229 -206369.5889 17686.4388 0.0000 0.0000 34409.5967 -149376.9364 300.5076 -183786.5330 -149284.3284 299.5783 -44.5238 -11.7305 556044.3386 4.4657 4.5524 PRESSURE: 2250600 -91.2903 109.394 49.0877 109.395 143.967 33.6839 49.0869 33.6827 171.013 GPRESSURE: 2250600 -45.78 45.2581 16.6587 69.5132 160.244 45.7574 107.858 94.5658 204.359 PRESSAVG: 2250600 62.1813 -13.6682 -31.2125 -13.6681 25.4996 123.326 -31.2125 123.326 -42.1673 GPRESSAVG: 2250600 60.6355 -11.4995 -32.0968 -14.5168 28.0478 124.3 -29.5383 124.625 -42.9433 TIMING: 2250600 CPU: 6523.22, 0.00286985/step Wall: 6523.22, 0.00286985/step, 2.19177 hours remaining, 209.476562 MB of memory in use. ENERGY: 2250600 723.8279 2045.8448 1952.6175 117.7867 -206055.8104 17744.1448 0.0000 0.0000 34141.2020 -149330.3865 298.1636 -183471.5886 -149234.3411 298.3515 74.5634 106.2741 555465.5880 15.1712 15.2467 PRESSURE: 2250800 5.69332 -80.3676 41.4825 -80.3674 -210.031 35.4187 41.4825 35.4188 -30.5439 GPRESSURE: 2250800 90.4096 -113.769 27.6582 -49.0691 -131.391 16.5789 58.6136 59.462 -84.639 PRESSAVG: 2250800 30.6532 15.992 -0.324394 15.992 -21.135 53.0651 -0.324478 53.0651 -3.70741 GPRESSAVG: 2250800 32.7827 13.7236 1.24554 14.7159 -21.5573 52.5953 -2.26424 51.6398 -5.36646 TIMING: 2250800 CPU: 6523.79, 0.00287956/step Wall: 6523.79, 0.00287956/step, 2.19903 hours remaining, 209.476562 MB of memory in use. ENERGY: 2250800 793.4985 2098.6891 1938.3850 119.4730 -206006.0731 17662.0333 0.0000 0.0000 34159.9839 -149234.0104 298.3276 -183393.9943 -149134.1363 299.3304 -78.2938 -41.8733 556857.6115 1.9369 1.9530 PRESSURE: 2251000 -119.585 -85.0281 -21.1891 -85.0275 -55.8172 -119.778 -21.1887 -119.776 -108.604 GPRESSURE: 2251000 -86.788 -128.903 -97.9151 -125.562 -2.16064 -118.773 68.4377 -70.6643 -97.8399 PRESSAVG: 2251000 2.95493 -39.6405 17.2299 -39.6405 -28.4359 -18.5852 17.2299 -18.5853 -4.97764 GPRESSAVG: 2251000 0.985399 -39.3691 13.8904 -38.0482 -28.725 -18.1516 18.4865 -18.2685 -2.43114 TIMING: 2251000 CPU: 6524.37, 0.00287968/step Wall: 6524.37, 0.00287968/step, 2.19896 hours remaining, 209.476562 MB of memory in use. ENERGY: 2251000 787.5294 2149.5110 1949.0437 114.2871 -205819.2237 17587.5154 0.0000 0.0000 34188.4897 -149042.8474 298.5766 -183231.3371 -148951.6160 299.2796 -94.6689 -62.2628 557130.8335 -10.1529 -10.0569 PRESSURE: 2251200 139.616 41.1977 46.4857 41.1973 -164.575 48.3402 46.4852 48.3389 -180.962 GPRESSURE: 2251200 180.09 21.3338 27.9298 -30.1309 -104.358 46.7457 93.347 61.5025 -190.899 PRESSAVG: 2251200 44.1055 39.7417 -33.2044 39.7417 -39.8632 -26.914 -33.2045 -26.914 12.5791 GPRESSAVG: 2251200 45.4491 39.3091 -32.0784 41.1405 -39.8106 -25.5512 -31.8566 -27.1884 12.0928 TIMING: 2251200 CPU: 6524.94, 0.00287876/step Wall: 6524.94, 0.00287876/step, 2.19809 hours remaining, 209.542969 MB of memory in use. ENERGY: 2251200 786.3437 2128.5283 1963.2363 113.6580 -206042.6366 17765.9919 0.0000 0.0000 34235.0310 -149049.8473 298.9830 -183284.8783 -148954.4169 299.3710 -68.6406 -38.3888 557570.6404 5.6071 5.9104 PRESSURE: 2251400 -18.9781 34.4815 -129.761 34.4804 -1.89362 97.801 -129.761 97.8002 -12.9786 GPRESSURE: 2251400 -0.641093 18.5335 -71.2582 81.6687 4.48018 45.6679 -94.6807 110.186 70.4391 PRESSAVG: 2251400 1.86074 22.1411 -45.108 22.1411 -55.6635 -61.4767 -45.108 -61.4767 48.6542 GPRESSAVG: 2251400 2.42172 22.8761 -44.6867 20.4154 -55.741 -61.2357 -45.1488 -61.4806 48.1143 TIMING: 2251400 CPU: 6525.52, 0.00289529/step Wall: 6525.52, 0.00289529/step, 2.21056 hours remaining, 209.542969 MB of memory in use. ENERGY: 2251400 713.6046 2100.7750 1965.7854 111.4265 -206406.0649 17837.4482 0.0000 0.0000 34367.1008 -149309.9245 300.1364 -183677.0252 -149221.4149 299.0389 -11.2834 24.7594 557868.1460 -1.7162 -1.7350 PRESSURE: 2251600 100.587 8.18095 -162.336 8.18135 -277.73 -2.19015 -162.335 -2.18939 -134.007 GPRESSURE: 2251600 108.643 56.9981 -145.169 -2.09606 -258.834 17.9047 -95.7132 -46.3932 -66.8267 PRESSAVG: 2251600 -23.9292 -58.2928 -25.4987 -58.2928 -21.758 6.23487 -25.4987 6.23477 37.1761 GPRESSAVG: 2251600 -24.9817 -57.2938 -26.951 -58.8698 -21.9589 6.82886 -24.7383 5.49735 38.278 TIMING: 2251600 CPU: 6526.1, 0.00287897/step Wall: 6526.1, 0.00287897/step, 2.19793 hours remaining, 209.542969 MB of memory in use. ENERGY: 2251600 726.1387 2123.9348 1973.1522 121.2066 -206437.4600 17701.1639 0.0000 0.0000 34367.6937 -149424.1700 300.1416 -183791.8638 -149324.0486 299.6545 -103.7166 -72.3394 556925.8738 -2.8370 -2.8875 PRESSURE: 2251800 90.4807 -196.757 181.477 -196.757 222.416 -41.1982 181.477 -41.1997 58.9433 GPRESSURE: 2251800 138.409 -85.6106 242.519 -183.952 202.826 -7.1713 160.596 -0.281645 118.557 PRESSAVG: 2251800 -16.7106 -1.4869 -1.13313 -1.48694 -21.8157 42.5139 -1.13309 42.514 50.3891 GPRESSAVG: 2251800 -16.6739 -1.588 -0.39153 -2.62201 -21.6911 43.1893 -2.18977 41.8114 49.8133 TIMING: 2251800 CPU: 6526.68, 0.00289621/step Wall: 6526.68, 0.00289621/step, 2.21093 hours remaining, 209.542969 MB of memory in use. ENERGY: 2251800 764.3467 2060.2832 1958.3273 111.8648 -206682.8970 18067.5108 0.0000 0.0000 34240.6109 -149479.9533 299.0318 -183720.5642 -149384.2326 298.6881 123.9468 153.2640 556679.4304 3.9542 3.8161 PRESSURE: 2252000 -83.8003 -68.3285 71.9752 -68.3286 -116.808 105.961 71.9753 105.961 56.7557 GPRESSURE: 2252000 -45.4061 -27.4898 66.3901 -101.987 -85.0925 104.345 53.4238 47.6519 96.0603 PRESSAVG: 2252000 -9.51924 -18.8512 19.4376 -18.8511 30.6315 0.476433 19.4377 0.476448 -29.1895 GPRESSAVG: 2252000 -9.66092 -21.213 19.8959 -17.4458 30.1087 -1.29032 18.5489 0.890267 -28.0013 TIMING: 2252000 CPU: 6527.25, 0.00287673/step Wall: 6527.25, 0.00287673/step, 2.1959 hours remaining, 209.542969 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: 2252000 750.9281 2151.5551 1949.3521 120.0117 -206562.6660 17756.9260 0.0000 0.0000 34421.5829 -149412.3100 300.6122 -183833.8930 -149321.5328 298.8466 -47.9507 -11.4794 557596.9425 -2.6924 -2.5178 PRESSURE: 2252200 -15.2508 120.989 -26.6369 120.99 -0.421125 -52.9699 -26.6355 -52.9669 1.8163 GPRESSURE: 2252200 90.9845 96.1932 11.7316 63.6514 -0.191096 -135.09 -51.2867 28.5348 -20.7328 PRESSAVG: 2252200 0.121333 -59.1363 -2.07528 -59.1363 -24.2595 33.7757 -2.07533 33.7757 19.6876 GPRESSAVG: 2252200 0.00740872 -59.4339 -2.60132 -59.4631 -23.4041 33.1121 -2.53796 34.545 18.9889 TIMING: 2252200 CPU: 6527.83, 0.00289763/step Wall: 6527.83, 0.00289763/step, 2.2117 hours remaining, 209.542969 MB of memory in use. ENERGY: 2252200 755.0251 2161.6669 1946.3278 98.9702 -206199.2337 17765.9052 0.0000 0.0000 34095.0701 -149376.2683 297.7607 -183471.3385 -149277.0219 298.6299 -4.6185 23.3535 557413.3826 -1.4835 -1.4693 LDB: ============= START OF LOAD BALANCING ============== 6531.22 LDB: ============== END OF LOAD BALANCING =============== 6531.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6531.22 LDB: ============= START OF LOAD BALANCING ============== 6531.51 LDB: Largest compute 4820 load 0.025710 is 21.8% of average load 0.117958 LDB: Average compute 0.001757 is 1.5% of average load 0.117958 LDB: TIME 6531.51 LOAD: AVG 0.117958 MAX 0.183632 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 6531.52 LOAD: AVG 0.117958 MAX 0.183632 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 6531.52 LOAD: AVG 0.117958 MAX 0.183632 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6531.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6531.52 PRESSURE: 2252400 34.3406 -170.067 -65.7814 -170.068 140.142 -94.3048 -65.7821 -94.3038 214.529 GPRESSURE: 2252400 116.059 -173.4 -111.21 -127.072 165.836 -118.905 -34.2918 -38.4942 197.762 PRESSAVG: 2252400 13.9693 16.5413 -46.9348 16.5412 -20.1795 -19.5217 -46.9348 -19.5216 -5.04826 GPRESSAVG: 2252400 15.1838 17.124 -45.8926 17.0902 -20.3958 -19.3899 -47.8363 -19.0029 -6.43662 TIMING: 2252400 CPU: 6528.43, 0.00296571/step Wall: 6528.43, 0.00296571/step, 2.2635 hours remaining, 207.496094 MB of memory in use. ENERGY: 2252400 725.9895 2028.7746 1913.8113 102.3459 -206449.6717 18038.4923 0.0000 0.0000 34229.2400 -149411.0181 298.9325 -183640.2581 -149316.5776 298.2002 129.6703 159.8859 557551.4217 -3.7528 -3.8829 PRESSURE: 2252600 31.3266 63.6592 43.1134 63.6597 17.5817 -175.19 43.1138 -175.19 119.598 GPRESSURE: 2252600 77.712 171.245 50.5391 128.314 73.2227 -193.13 27.6328 -95.2383 109.666 PRESSAVG: 2252600 44.0126 16.125 47.8309 16.1251 51.1165 -18.793 47.8309 -18.793 -28.4 GPRESSAVG: 2252600 43.748 17.8205 48.1065 15.1237 49.6789 -17.5269 47.6645 -18.4599 -27.0267 TIMING: 2252600 CPU: 6529.01, 0.00290104/step Wall: 6529.01, 0.00290104/step, 2.21398 hours remaining, 207.496094 MB of memory in use. ENERGY: 2252600 772.1292 2012.8058 1942.8013 124.8932 -206068.9552 17744.0669 0.0000 0.0000 34071.8449 -149400.4139 297.5579 -183472.2588 -149304.7575 298.5908 56.1688 86.8671 557391.6848 22.2430 22.1334 PRESSURE: 2252800 172.04 -40.1199 21.3766 -40.1181 -53.0969 124.516 21.3767 124.515 229.779 GPRESSURE: 2252800 264.665 26.8917 17.5024 -69.42 -15.1231 90.6464 -1.58264 91.9869 210.876 PRESSAVG: 2252800 35.598 65.5908 28.448 65.5908 12.3813 23.077 28.448 23.077 -42.6978 GPRESSAVG: 2252800 35.5759 62.15 28.5723 67.6119 11.7466 22.2612 31.551 23.7448 -41.8345 TIMING: 2252800 CPU: 6529.58, 0.00288372/step Wall: 6529.58, 0.00288372/step, 2.2006 hours remaining, 207.496094 MB of memory in use. ENERGY: 2252800 759.6647 2089.2741 1956.1005 107.1861 -206369.9682 18002.4739 0.0000 0.0000 34217.6099 -149237.6589 298.8309 -183455.2688 -149140.7290 298.8898 116.2409 153.4726 556807.0836 1.7605 1.8293 PRESSURE: 2253000 -34.5541 -97.9137 9.37989 -97.9136 -128.645 73.3093 9.37986 73.3097 -210.547 GPRESSURE: 2253000 -4.31302 -86.7249 -11.963 -111.931 -92.0363 68.5104 45.6127 111.352 -174.397 PRESSAVG: 2253000 12.5493 20.4628 -12.605 20.4627 16.3379 4.24902 -12.6049 4.24904 -60.7877 GPRESSAVG: 2253000 11.8371 21.3193 -15.3349 21.5813 18.0098 2.69574 -12.9215 3.47238 -61.6468 TIMING: 2253000 CPU: 6530.16, 0.00287164/step Wall: 6530.16, 0.00287164/step, 2.19122 hours remaining, 207.496094 MB of memory in use. ENERGY: 2253000 711.8498 2139.3334 1972.4648 120.3831 -206179.6250 17579.9386 0.0000 0.0000 34388.8971 -149266.7583 300.3268 -183655.6554 -149169.2746 299.7668 -124.5819 -90.2489 557105.2329 -10.6335 -10.6000 PRESSURE: 2253200 176.831 102.407 -209.587 102.408 116.844 -51.4299 -209.588 -51.4307 42.5095 GPRESSURE: 2253200 179.452 126.641 -220.218 91.7533 186.208 -89.9982 -157.803 -112.592 59.3537 PRESSAVG: 2253200 -35.0868 -32.83 -29.0974 -32.83 19.8314 -5.02125 -29.0974 -5.02128 -2.946 GPRESSAVG: 2253200 -35.4248 -31.7574 -27.2734 -33.986 19.1733 -3.01934 -32.1237 -6.18417 -2.2447 TIMING: 2253200 CPU: 6530.73, 0.00288783/step Wall: 6530.73, 0.00288783/step, 2.20341 hours remaining, 207.496094 MB of memory in use. ENERGY: 2253200 762.8850 1998.6176 1958.9280 107.9298 -206444.7564 17867.9512 0.0000 0.0000 34638.8343 -149109.6105 302.5096 -183748.4448 -149015.5847 300.2045 112.0614 141.6712 556244.1059 -6.0671 -6.1654 PRESSURE: 2253400 46.1889 100.909 36.8672 100.91 86.3569 34.1541 36.8675 34.1528 6.45888 GPRESSURE: 2253400 57.4031 126.644 74.3089 102.321 128.985 13.0224 43.3966 35.5621 55.2549 PRESSAVG: 2253400 -50.4479 -1.90299 -19.4119 -1.903 -47.6476 -25.5857 -19.4119 -25.5857 57.8379 GPRESSAVG: 2253400 -49.4108 -2.06004 -19.4392 -3.24119 -47.7126 -26.5626 -16.9138 -25.8609 56.5021 TIMING: 2253400 CPU: 6531.31, 0.00288281/step Wall: 6531.31, 0.00288281/step, 2.19942 hours remaining, 207.496094 MB of memory in use. ENERGY: 2253400 731.4424 2058.0680 1954.5513 105.0721 -206024.0555 17653.3657 0.0000 0.0000 34387.6612 -149133.8948 300.3160 -183521.5560 -149028.4786 300.7339 46.3349 80.5478 557546.1173 -13.4192 -13.5404 PRESSURE: 2253600 -214.376 -49.1309 106.655 -49.1306 -80.7819 -137.098 106.655 -137.097 -115.99 GPRESSURE: 2253600 -227.2 33.6087 109.886 -133.62 -31.448 -87.8496 88.0766 -161.756 -43.436 PRESSAVG: 2253600 -11.3543 20.2369 -56.9533 20.2369 2.2586 -2.45157 -56.9533 -2.45158 28.2146 GPRESSAVG: 2253600 -11.2535 19.0041 -57.5121 22.7447 2.64789 -2.04647 -58.0843 -0.460805 28.9417 TIMING: 2253600 CPU: 6531.89, 0.00291788/step Wall: 6531.89, 0.00291788/step, 2.22602 hours remaining, 207.496094 MB of memory in use. ENERGY: 2253600 718.4919 2091.7391 1972.1705 107.2711 -205979.3244 17557.7632 0.0000 0.0000 34472.4773 -149059.4112 301.0567 -183531.8885 -148961.7737 300.0082 -137.0491 -100.6946 557389.1115 6.3730 6.7787 PRESSURE: 2253800 -10.2104 -71.0323 -60.8721 -71.0329 -71.642 -42.3051 -60.8729 -42.304 324.669 GPRESSURE: 2253800 44.2288 -71.7981 -37.3961 -57.5547 -31.4363 -33.4747 -146.731 29.8052 333.476 PRESSAVG: 2253800 -0.913901 14.1992 -12.8455 14.1991 -36.4668 -47.9889 -12.8456 -47.989 40.7157 GPRESSAVG: 2253800 -0.613634 16.2471 -12.5518 12.2621 -37.1242 -47.9133 -13.4581 -49.8946 41.0558 TIMING: 2253800 CPU: 6532.47, 0.00289622/step Wall: 6532.47, 0.00289622/step, 2.20934 hours remaining, 207.496094 MB of memory in use. ENERGY: 2253800 715.8190 2095.0245 1957.5106 114.4980 -205944.9770 17576.3344 0.0000 0.0000 34563.3057 -148922.4848 301.8499 -183485.7905 -148816.5721 300.0510 80.9389 115.4229 556948.2962 1.1117 1.1060 PRESSURE: 2254000 -49.0468 95.4823 -88.8711 95.4824 72.6931 -94.7436 -88.8714 -94.7453 -81.9517 GPRESSURE: 2254000 -59.6358 39.6646 -95.774 191.103 144.786 -91.983 -17.6508 -62.2332 -38.2774 PRESSAVG: 2254000 16.8707 29.863 -42.4862 29.863 -12.5234 -43.4518 -42.4861 -43.4518 -13.5347 GPRESSAVG: 2254000 15.6017 27.1116 -41.4959 30.4321 -10.0524 -43.8821 -43.256 -42.3855 -15.0403 TIMING: 2254000 CPU: 6533.05, 0.0028958/step Wall: 6533.05, 0.0028958/step, 2.20885 hours remaining, 207.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2254000 741.1860 2106.5122 1964.7514 119.6647 -205953.1002 17704.0907 0.0000 0.0000 34247.6253 -149069.2700 299.0930 -183316.8952 -148969.1858 300.4133 -19.4351 15.6243 559023.7753 -3.0625 -3.1637 PRESSURE: 2254200 47.4099 109.178 -74.8159 109.177 -100.301 -73.4108 -74.817 -73.4103 -14.6424 GPRESSURE: 2254200 77.8134 11.3747 -12.5985 108.894 -41.6048 -42.7564 -102 -78.8818 -3.69957 PRESSAVG: 2254200 72.6325 48.2988 30.7165 48.2988 -48.0307 -32.7676 30.7164 -32.7675 -27.5738 GPRESSAVG: 2254200 72.9103 50.475 29.2693 47.5556 -49.2125 -32.1238 32.368 -33.0014 -26.3956 TIMING: 2254200 CPU: 6533.63, 0.00287879/step Wall: 6533.63, 0.00287879/step, 2.19571 hours remaining, 207.496094 MB of memory in use. ENERGY: 2254200 724.6253 2046.9233 1946.6028 125.1395 -206196.8270 17826.6462 0.0000 0.0000 34360.3003 -149166.5896 300.0770 -183526.8899 -149069.1424 299.6210 -22.5111 10.8363 557871.7650 -0.9907 -0.8993 PRESSURE: 2254400 189.53 116.084 -117.841 116.083 -235.644 30.4498 -117.842 30.4494 -87.4079 GPRESSURE: 2254400 264.717 -20.8537 -152.172 85.4104 -193.011 26.8085 -140.188 -13.4495 -92.5036 PRESSAVG: 2254400 33.6077 9.13329 -35.6826 9.13337 4.34028 -32.1517 -35.6827 -32.1517 -31.7189 GPRESSAVG: 2254400 35.0607 7.99407 -35.0708 11.4373 3.67057 -32.1158 -37.1288 -32.7722 -32.9064 TIMING: 2254400 CPU: 6534.2, 0.00285433/step Wall: 6534.2, 0.00285433/step, 2.1769 hours remaining, 207.496094 MB of memory in use. ENERGY: 2254400 746.4112 2128.5741 1951.6807 111.3622 -206367.7934 17881.6676 0.0000 0.0000 34293.8620 -149254.2357 299.4968 -183548.0977 -149159.4981 298.6136 -44.5072 -6.9325 557866.3456 2.0764 1.9416 PRESSURE: 2254600 19.2074 -122.863 0.0511978 -122.863 -395.555 -146.222 0.0513555 -146.224 -33.905 GPRESSURE: 2254600 52.1814 -159.673 95.7861 -31.5382 -327.544 -76.5463 -50.4311 -152.894 -30.8861 PRESSAVG: 2254600 5.7281 46.7464 -9.12546 46.7465 45.0784 -10.8909 -9.12551 -10.8909 11.5237 GPRESSAVG: 2254600 5.42184 46.4407 -9.1324 46.0629 45.3548 -10.7501 -8.89905 -12.1683 12.3823 TIMING: 2254600 CPU: 6534.77, 0.00287044/step Wall: 6534.77, 0.00287044/step, 2.18903 hours remaining, 207.496094 MB of memory in use. ENERGY: 2254600 724.2272 2116.2167 1952.6771 124.1000 -206214.0813 17711.6045 0.0000 0.0000 34254.5497 -149330.7061 299.1535 -183585.2558 -149238.0913 299.1856 -136.7510 -102.0828 557471.5874 20.7767 21.0529 PRESSURE: 2254800 -33.385 11.428 173.376 11.4285 -238.257 -215.987 173.376 -215.985 85.0573 GPRESSURE: 2254800 -31.8072 -24.6866 40.2339 -51.4417 -161.917 -218.013 219.292 -183.224 99.8376 PRESSAVG: 2254800 -37.2399 43.056 17.6904 43.056 -28.5791 -26.9883 17.6904 -26.9885 34.9388 GPRESSAVG: 2254800 -38.1354 43.3272 16.6526 42.7923 -28.5751 -27.4493 19.1957 -24.0488 35.5428 TIMING: 2254800 CPU: 6535.35, 0.00287916/step Wall: 6535.35, 0.00287916/step, 2.19552 hours remaining, 207.496094 MB of memory in use. ENERGY: 2254800 748.9725 2117.0666 1967.9693 108.5573 -206489.2094 17745.6040 0.0000 0.0000 34415.5515 -149385.4881 300.5596 -183801.0396 -149289.8058 299.5503 -62.1948 -31.2956 556379.9840 -10.2934 -10.3892 PRESSURE: 2255000 169.205 -42.3564 -8.43675 -42.3568 -239.639 15.7432 -8.43714 15.7423 267.752 GPRESSURE: 2255000 203.416 -120.492 26.6467 -42.157 -167.295 143.178 -32.4572 -113.185 263.545 PRESSAVG: 2255000 -19.3567 9.66616 53.4509 9.66613 -20.5701 19.7273 53.4509 19.7273 62.6365 GPRESSAVG: 2255000 -18.9043 9.43244 51.6833 9.25807 -20.7358 22.1975 53.4077 17.4153 62.7661 TIMING: 2255000 CPU: 6535.92, 0.00287013/step Wall: 6535.92, 0.00287013/step, 2.18847 hours remaining, 207.496094 MB of memory in use. ENERGY: 2255000 723.3468 1995.1178 1967.3230 117.3187 -206494.2323 17954.0415 0.0000 0.0000 34445.9188 -149291.1658 300.8248 -183737.0846 -149194.0237 299.3397 65.7725 99.8888 556627.1295 7.5699 7.7087 PRESSURE: 2255200 206.471 -54.4298 62.7229 -54.4295 -64.1651 104.304 62.7229 104.304 199.75 GPRESSURE: 2255200 162.035 -27.4596 118.798 -91.589 78.4743 58.0241 33.0293 172.892 197.623 PRESSAVG: 2255200 -18.3815 -25.9639 12.0867 -25.9638 18.5348 30.106 12.0867 30.1061 -27.9386 GPRESSAVG: 2255200 -18.0393 -25.0111 12.5564 -26.396 19.1907 28.0067 12.0545 32.2056 -29.176 TIMING: 2255200 CPU: 6536.5, 0.00288572/step Wall: 6536.5, 0.00288572/step, 2.2002 hours remaining, 207.496094 MB of memory in use. ENERGY: 2255200 743.2820 2065.3574 1947.3418 102.1051 -206566.9312 17998.7433 0.0000 0.0000 34335.0296 -149375.0720 299.8564 -183710.1016 -149278.5335 299.9774 114.0186 146.0444 556767.8530 -9.2618 -9.3415 PRESSURE: 2255400 143.448 -14.3391 -89.8655 -14.3392 -56.5209 65.4201 -89.8665 65.4213 -328.559 GPRESSURE: 2255400 205.258 62.1973 -39.1772 -4.69703 -102.318 121.853 -171.957 -15.0428 -244.716 PRESSAVG: 2255400 37.1687 -6.62598 -2.42719 -6.626 -49.716 -29.5776 -2.42708 -29.5776 -2.04223 GPRESSAVG: 2255400 37.4213 -5.75175 -1.04335 -6.56573 -51.2324 -29.0317 -1.92879 -31.0468 -0.735001 TIMING: 2255400 CPU: 6537.08, 0.0028785/step Wall: 6537.08, 0.0028785/step, 2.19454 hours remaining, 207.496094 MB of memory in use. ENERGY: 2255400 764.2460 2050.8837 1940.1364 111.6429 -206089.0032 17711.6610 0.0000 0.0000 34201.9844 -149308.4488 298.6944 -183510.4332 -149211.0065 299.3929 -80.5438 -47.2587 558690.5396 -4.8632 -4.8487 PRESSURE: 2255600 -96.5959 -27.7948 -44.1969 -27.7952 -219.616 -72.41 -44.1966 -72.4113 202.894 GPRESSURE: 2255600 -77.6148 35.2493 -58.8557 -1.19096 -156.771 -71.8159 -53.5935 -37.4818 210.52 PRESSAVG: 2255600 -15.6942 12.5668 33.1706 12.5668 -31.069 -37.9557 33.1707 -37.9557 52.3373 GPRESSAVG: 2255600 -16.302 11.7574 32.4087 13.5175 -30.167 -37.8338 32.2339 -37.3841 52.163 TIMING: 2255600 CPU: 6537.66, 0.00291332/step Wall: 6537.66, 0.00291332/step, 2.22092 hours remaining, 207.496094 MB of memory in use. ENERGY: 2255600 734.2964 2054.0635 1941.7741 113.5975 -206434.9479 17971.4045 0.0000 0.0000 34372.5024 -149247.3095 300.1836 -183619.8119 -149147.5388 299.1502 -37.7729 -7.9554 558261.2078 1.8580 1.8980 PRESSURE: 2255800 -197.666 -37.2447 70.2317 -37.2448 21.3378 -75.6678 70.2314 -75.667 -321.391 GPRESSURE: 2255800 -146.621 -91.3593 71.0295 -36.192 2.2437 -168.577 -3.51204 -36.4813 -256.771 PRESSAVG: 2255800 -38.1414 -33.5108 -2.65657 -33.5108 14.2412 -35.5342 -2.65655 -35.5344 -13.1133 GPRESSAVG: 2255800 -37.0515 -33.4679 -2.93456 -36.2115 12.5085 -37.7271 -1.39551 -33.5214 -12.9107 TIMING: 2255800 CPU: 6538.24, 0.00288755/step Wall: 6538.24, 0.00288755/step, 2.20112 hours remaining, 207.496094 MB of memory in use. ENERGY: 2255800 771.7812 2059.3131 1937.0411 113.5136 -206278.4435 17961.3547 0.0000 0.0000 34211.8744 -149223.5655 298.7808 -183435.4399 -149127.5243 298.5486 -165.9063 -133.7161 559115.7333 -12.3378 -12.4846 PRESSURE: 2256000 -119.969 135.23 27.218 135.23 24.1815 -27.7105 27.2176 -27.7109 -43.2605 GPRESSURE: 2256000 -55.3752 123.376 -5.28144 203.418 24.9806 -126.464 29.7247 25.5988 -13.5492 PRESSAVG: 2256000 -45.7176 41.1724 -14.909 41.1724 16.1255 -0.384966 -14.909 -0.384926 35.9389 GPRESSAVG: 2256000 -46.3796 40.6634 -14.9488 43.9269 16.5358 2.94838 -16.2568 -2.83947 35.8471 TIMING: 2256000 CPU: 6538.82, 0.00289349/step Wall: 6538.82, 0.00289349/step, 2.20548 hours remaining, 207.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2256000 799.4830 2063.6777 1950.0580 103.3504 -206417.4440 17933.8479 0.0000 0.0000 34463.3146 -149103.7123 300.9767 -183567.0268 -149006.5212 299.6365 -46.3494 -14.6479 558416.4025 2.1156 2.0011 PRESSURE: 2256200 -42.2764 -63.476 23.067 -63.4764 -71.1151 -1.15081 23.0687 -1.14965 -75.2183 GPRESSURE: 2256200 -28.5665 -90.3057 -28.9606 -43.3836 -27.8253 87.7118 22.855 -19.0076 -31.0765 PRESSAVG: 2256200 -19.4467 -41.3119 24.6467 -41.3119 -21.0237 51.0244 24.6466 51.0245 39.8126 GPRESSAVG: 2256200 -20.257 -40.9016 26.3452 -39.4578 -20.1863 50.0185 24.0721 52.0955 39.7703 TIMING: 2256200 CPU: 6539.39, 0.00288553/step Wall: 6539.39, 0.00288553/step, 2.19925 hours remaining, 207.496094 MB of memory in use. ENERGY: 2256200 729.2551 2083.0697 1963.0388 114.8934 -206094.0645 17903.1146 0.0000 0.0000 34237.4055 -149063.2874 299.0038 -183300.6929 -148969.1422 300.1357 -62.8699 -29.1561 558148.5061 -0.2193 -0.2243 LDB: ============= START OF LOAD BALANCING ============== 6542.78 LDB: ============== END OF LOAD BALANCING =============== 6542.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6542.78 LDB: ============= START OF LOAD BALANCING ============== 6543.06 LDB: Largest compute 4820 load 0.023849 is 20.2% of average load 0.117996 LDB: Average compute 0.001747 is 1.5% of average load 0.117996 LDB: TIME 6543.07 LOAD: AVG 0.117996 MAX 0.17979 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.289 MB LDB: TIME 6543.07 LOAD: AVG 0.117996 MAX 0.17979 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.359 MB LDB: TIME 6543.07 LOAD: AVG 0.117996 MAX 0.17979 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6543.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6543.07 PRESSURE: 2256400 -82.7196 -158.605 -102.485 -158.605 -92.8436 43.8247 -102.486 43.8255 160.696 GPRESSURE: 2256400 -44.7444 -152.036 -103.176 -220.297 -117.929 -27.1245 -116.833 55.5093 238.09 PRESSAVG: 2256400 -43.2136 -19.9103 -13.0474 -19.9102 4.81855 -20.7569 -13.0474 -20.7569 53.2915 GPRESSAVG: 2256400 -42.4039 -19.6755 -15.4269 -22.1015 4.67126 -21.426 -10.6102 -20.1481 52.9459 TIMING: 2256400 CPU: 6539.98, 0.00292532/step Wall: 6539.98, 0.00292532/step, 2.22942 hours remaining, 209.000000 MB of memory in use. ENERGY: 2256400 757.2410 1992.4835 1976.6016 112.8172 -206124.5658 17958.4686 0.0000 0.0000 34059.4131 -149267.5409 297.4493 -183326.9539 -149169.4481 299.1748 -4.9558 25.1387 557363.2000 4.9655 5.0711 PRESSURE: 2256600 -33.4786 -20.1714 -79.9201 -20.171 -410.562 -28.5501 -79.9201 -28.5495 94.4393 GPRESSURE: 2256600 -9.94036 30.7011 -35.4605 -66.0035 -368.605 60.7414 36.0006 -79.8027 139.011 PRESSAVG: 2256600 -55.5021 -4.79274 -45.3366 -4.79265 -53.4057 -11.4503 -45.3365 -11.4504 70.8936 GPRESSAVG: 2256600 -56.455 -2.94759 -43.9645 -5.62138 -52.5502 -10.0492 -46.9345 -12.2617 70.5921 TIMING: 2256600 CPU: 6540.55, 0.00286413/step Wall: 6540.55, 0.00286413/step, 2.18262 hours remaining, 209.199219 MB of memory in use. ENERGY: 2256600 731.2401 2031.3828 1957.8753 112.6356 -206017.8948 17719.4524 0.0000 0.0000 34341.0557 -149124.2529 299.9090 -183465.3086 -149030.4383 299.6708 -116.5338 -79.8450 557706.2127 -12.6714 -12.8044 PRESSURE: 2256800 -64.2383 66.0412 106.482 66.0408 -3.59922 -11.2311 106.482 -11.2331 106.868 GPRESSURE: 2256800 -14.0368 66.2459 145.08 18.5669 15.8296 -1.59325 78.3734 -59.1754 139.638 PRESSAVG: 2256800 70.6055 -36.0092 11.2841 -36.0092 -57.0534 28.9338 11.2842 28.9337 -8.69941 GPRESSAVG: 2256800 71.0038 -34.7757 11.0854 -36.2244 -57.5993 27.7794 11.7879 27.7529 -8.53749 TIMING: 2256800 CPU: 6541.12, 0.00286126/step Wall: 6541.12, 0.00286126/step, 2.18028 hours remaining, 209.199219 MB of memory in use. ENERGY: 2256800 769.3088 2142.1684 1955.0698 110.9322 -205879.3056 17664.4526 0.0000 0.0000 34247.6550 -148989.7188 299.0933 -183237.3738 -148895.9837 299.3176 13.0101 47.1435 556105.7093 1.6175 1.6224 PRESSURE: 2257000 -220.692 -44.8361 51.4439 -44.8356 -100.016 -51.4748 51.4433 -51.4751 -4.17085 GPRESSURE: 2257000 -162.72 7.12246 14.8041 -87.4818 -36.9015 -128.499 83.008 -23.9497 -47.7429 PRESSAVG: 2257000 -41.9037 36.5113 7.32944 36.5113 -4.96335 11.7265 7.32947 11.7265 34.9842 GPRESSAVG: 2257000 -40.787 34.3449 4.83084 37.2385 -4.2136 13.6593 7.82276 10.56 33.585 TIMING: 2257000 CPU: 6541.7, 0.00288416/step Wall: 6541.7, 0.00288416/step, 2.19757 hours remaining, 209.199219 MB of memory in use. ENERGY: 2257000 755.3849 2154.1175 1950.4341 114.1502 -205764.0338 17461.1459 0.0000 0.0000 34515.4089 -148813.3924 301.4317 -183328.8013 -148721.5854 300.5240 -108.2931 -82.4549 558225.2843 -3.9609 -3.8052 PRESSURE: 2257200 0.36153 159.492 -91.0287 159.491 -88.7051 35.2608 -91.0289 35.2616 -239.564 GPRESSURE: 2257200 -32.6253 205.365 -84.3912 43.539 9.81387 -32.2547 -94.7838 77.4532 -211.015 PRESSAVG: 2257200 23.9789 12.1236 -37.0556 12.1235 -16.008 43.7421 -37.0556 43.742 5.86153 GPRESSAVG: 2257200 23.6657 12.5502 -34.963 10.0555 -16.9182 42.2583 -38.8563 45.5004 7.53398 TIMING: 2257200 CPU: 6542.28, 0.00288487/step Wall: 6542.28, 0.00288487/step, 2.19795 hours remaining, 209.484375 MB of memory in use. ENERGY: 2257200 767.4256 2077.3593 1941.0547 118.3068 -205774.2588 17527.8575 0.0000 0.0000 34497.9259 -148844.3291 301.2790 -183342.2550 -148751.5741 300.3935 -109.3027 -77.9421 558143.2179 4.6108 4.7605 PRESSURE: 2257400 172.166 -69.3999 -73.0937 -69.4006 223.514 -2.58678 -73.0925 -2.58784 161.428 GPRESSURE: 2257400 245.125 -18.4438 -90.2409 -80.2886 275.378 -36.2088 -8.65463 59.5515 131.306 PRESSAVG: 2257400 -3.61263 -15.2762 -19.3916 -15.2762 33.9542 -20.097 -19.3916 -20.0971 1.36143 GPRESSAVG: 2257400 -2.80147 -17.4391 -20.0979 -13.0583 34.1521 -20.422 -20.5285 -19.1801 0.671547 TIMING: 2257400 CPU: 6542.85, 0.00288778/step Wall: 6542.85, 0.00288778/step, 2.2 hours remaining, 209.484375 MB of memory in use. ENERGY: 2257400 743.9556 2075.0421 1951.3320 119.0866 -206291.9261 18038.9602 0.0000 0.0000 34400.8201 -148962.7295 300.4309 -183363.5496 -148859.5876 300.6123 185.7027 217.2696 557899.6235 10.5677 10.6741 PRESSURE: 2257600 169.078 -8.74534 36.9711 -8.74471 -242.974 59.3315 36.9705 59.3336 -223.668 GPRESSURE: 2257600 178.382 -34.7932 -5.21708 12.4314 -211.622 51.3661 99.2426 50.918 -169.807 PRESSAVG: 2257600 16.0241 -60.7722 -26.5539 -60.7721 -8.88377 -5.26707 -26.5539 -5.26701 -77.4543 GPRESSAVG: 2257600 14.8718 -59.9065 -26.521 -59.6814 -8.45004 -5.32817 -24.5536 -4.62087 -76.6428 TIMING: 2257600 CPU: 6543.43, 0.00287825/step Wall: 6543.43, 0.00287825/step, 2.19258 hours remaining, 209.484375 MB of memory in use. ENERGY: 2257600 710.0442 2072.7973 1946.4262 132.3210 -205584.0949 17607.5313 0.0000 0.0000 34171.3169 -148943.6580 298.4266 -183114.9749 -148852.5464 299.8389 -99.1882 -67.6827 559150.4784 -23.4380 -23.4070 PRESSURE: 2257800 -223.962 52.8148 156.9 52.8143 -242.867 46.4735 156.901 46.4733 -255.417 GPRESSURE: 2257800 -213.18 29.9614 186.485 45.1649 -145.947 52.7328 197.605 27.9243 -271.893 PRESSAVG: 2257800 55.2097 -22.1892 6.2234 -22.1891 35.2041 -16.5727 6.22343 -16.5727 -32.523 GPRESSAVG: 2257800 55.84 -21.6679 7.09243 -20.473 35.2989 -17.8025 4.68827 -17.4344 -33.3576 TIMING: 2257800 CPU: 6544, 0.00287288/step Wall: 6544, 0.00287288/step, 2.18833 hours remaining, 209.484375 MB of memory in use. ENERGY: 2257800 720.6769 2126.4413 1948.0380 127.5700 -205604.4168 17390.8349 0.0000 0.0000 34186.7788 -149104.0771 298.5616 -183290.8559 -149007.6364 299.3996 -240.7483 -210.3398 557386.3990 19.2969 19.2604 PRESSURE: 2258000 -29.6974 -11.4042 -42.288 -11.4055 -169.968 35.5726 -42.2868 35.5722 447.736 GPRESSURE: 2258000 4.09725 2.42118 -83.4972 5.74071 -120.787 42.1651 -2.87879 67.3021 453.893 PRESSAVG: 2258000 38.5841 -8.13084 44.3034 -8.13086 -119.454 18.6373 44.3035 18.6373 64.1465 GPRESSAVG: 2258000 38.5958 -8.02634 42.5842 -10.1584 -120.58 19.0974 46.6821 17.688 64.9457 TIMING: 2258000 CPU: 6544.58, 0.00288199/step Wall: 6544.58, 0.00288199/step, 2.19512 hours remaining, 209.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2258000 729.8412 2102.1513 1963.6979 113.2382 -206206.9575 17868.4317 0.0000 0.0000 34114.1429 -149315.4542 297.9273 -183429.5972 -149213.5393 299.5403 82.6901 112.4010 558123.3438 -5.5746 -5.6794 PRESSURE: 2258200 206.131 69.504 162.842 69.505 314.501 -53.9207 162.842 -53.9197 164.432 GPRESSURE: 2258200 249.391 92.9548 235.506 76.0794 323.846 -73.9773 144.842 -7.18701 219.62 PRESSAVG: 2258200 -1.40078 26.6548 6.9901 26.6547 4.27223 13.8864 6.99014 13.8864 -24.6092 GPRESSAVG: 2258200 -2.38015 25.4702 9.43987 28.5949 4.79194 15.4538 4.16623 13.3557 -23.5651 TIMING: 2258200 CPU: 6545.16, 0.00288427/step Wall: 6545.16, 0.00288427/step, 2.19669 hours remaining, 209.484375 MB of memory in use. ENERGY: 2258200 741.1359 2060.9142 1970.4035 110.7956 -206586.9325 18199.8930 0.0000 0.0000 34246.6130 -149257.1773 299.0842 -183503.7904 -149161.0508 298.7678 228.3549 264.2858 557600.7730 -7.2459 -7.0511 PRESSURE: 2258400 -224.05 -93.4325 -63.4384 -93.4324 34.5969 -53.1066 -63.4384 -53.1073 9.17641 GPRESSURE: 2258400 -178.149 -108.382 9.39619 -85.5869 61.8687 8.61272 -152.824 -80.0804 30.9725 PRESSAVG: 2258400 -28.7279 37.7229 17.0564 37.723 64.8065 -42.6181 17.0564 -42.618 -36.2675 GPRESSAVG: 2258400 -28.8218 37.7565 18.0967 36.3898 65.5464 -43.1349 17.3071 -41.5204 -36.964 TIMING: 2258400 CPU: 6545.73, 0.00287189/step Wall: 6545.73, 0.00287189/step, 2.18711 hours remaining, 209.484375 MB of memory in use. ENERGY: 2258400 747.5133 2119.9052 1933.2806 112.9489 -206486.3194 17858.3646 0.0000 0.0000 34439.3037 -149275.0031 300.7670 -183714.3068 -149175.3991 299.3761 -60.0923 -28.4358 556812.4128 -0.0630 -0.0798 PRESSURE: 2258600 -85.6096 133.151 -49.9911 133.15 -36.5875 71.0752 -49.992 71.0749 -25.3331 GPRESSURE: 2258600 -90.6959 234.042 -87.129 73.4154 31.3226 64.0526 -59.4549 81.5877 3.57931 PRESSAVG: 2258600 -25.0313 -2.1788 -26.3506 -2.17875 23.0239 10.2612 -26.3506 10.2612 -3.71879 GPRESSAVG: 2258600 -24.6157 -2.03617 -30.4442 -1.76248 23.2823 9.89295 -24.5338 10.3722 -4.40631 TIMING: 2258600 CPU: 6546.31, 0.00288799/step Wall: 6546.31, 0.00288799/step, 2.1992 hours remaining, 209.484375 MB of memory in use. ENERGY: 2258600 771.0634 2075.0507 1919.8954 127.3135 -206215.1505 17821.3875 0.0000 0.0000 34270.2343 -149230.2057 299.2905 -183500.4400 -149124.8841 298.8549 -49.1768 -18.5980 556974.0189 -1.9087 -1.9133 PRESSURE: 2258800 -17.6085 29.1002 -93.3264 29.1002 141.657 -34.9163 -93.3267 -34.9168 93.5981 GPRESSURE: 2258800 3.76382 25.9022 -85.7414 15.3135 161.397 -59.1501 -91.3543 -42.1043 158.681 PRESSAVG: 2258800 -64.2097 25.8961 16.7102 25.8962 17.138 -5.01599 16.7102 -5.01604 26.3827 GPRESSAVG: 2258800 -64.7103 28.1048 20.1765 25.1607 17.1209 -6.12649 16.0249 -3.74549 26.472 TIMING: 2258800 CPU: 6546.88, 0.00285027/step Wall: 6546.88, 0.00285026/step, 2.17032 hours remaining, 209.484375 MB of memory in use. ENERGY: 2258800 741.2872 2061.3222 1954.3911 115.7403 -206035.5533 17774.8491 0.0000 0.0000 34066.0847 -149321.8786 297.5076 -183387.9633 -149226.7332 298.7509 72.5489 107.9474 556466.1631 -6.8963 -7.0392 PRESSURE: 2259000 -224.592 -0.0174868 -124.486 -0.0163342 -363.785 -27.422 -124.487 -27.422 77.6699 GPRESSURE: 2259000 -253.748 74.4856 -140.244 -26.6286 -261.601 -23.6644 -108.643 -93.5469 88.0949 PRESSAVG: 2259000 -33.3103 29.2061 -61.6661 29.2061 8.31986 -12.9707 -61.6661 -12.9708 18.5579 GPRESSAVG: 2259000 -32.7626 30.0486 -60.867 30.1487 8.60318 -12.456 -62.2789 -14.9638 18.2716 TIMING: 2259000 CPU: 6547.45, 0.00286969/step Wall: 6547.45, 0.00286969/step, 2.18495 hours remaining, 209.484375 MB of memory in use. ENERGY: 2259000 726.4343 2102.7061 1929.4101 109.8413 -205914.2466 17632.4249 0.0000 0.0000 34152.8784 -149260.5515 298.2656 -183413.4298 -149166.0677 298.4209 -170.2357 -142.4178 558185.3864 -2.1442 -1.9626 PRESSURE: 2259200 48.5968 18.1171 -2.0111 18.118 18.5707 239.496 -2.01159 239.496 1.38012 GPRESSURE: 2259200 71.3904 -49.8208 62.2256 40.9257 33.7311 271.468 -39.855 170.219 57.4822 PRESSAVG: 2259200 -25.476 -19.1859 12.0261 -19.1859 -5.5795 7.78304 12.0261 7.78304 6.87675 GPRESSAVG: 2259200 -25.7507 -20.3838 13.4932 -19.9428 -5.5547 7.53052 10.7085 8.04778 7.47496 TIMING: 2259200 CPU: 6548.03, 0.00286819/step Wall: 6548.03, 0.00286819/step, 2.18365 hours remaining, 209.484375 MB of memory in use. ENERGY: 2259200 751.5897 2063.8020 1924.3995 107.5679 -206633.9347 17991.7035 0.0000 0.0000 34491.2909 -149303.5812 301.2210 -183794.8721 -149208.4155 299.4399 22.8492 54.2012 556469.7898 -8.0596 -7.9435 PRESSURE: 2259400 -71.9276 315.364 11.1527 315.363 -125.68 5.60844 11.1519 5.6084 8.82385 GPRESSURE: 2259400 -57.7607 198.556 -52.1186 318.535 -98.7498 32.6067 46.6899 -34.8743 77.0602 PRESSAVG: 2259400 63.0707 40.5926 -12.029 40.5927 -28.5431 8.18397 -12.029 8.18406 18.129 GPRESSAVG: 2259400 63.4192 39.7019 -14.6872 40.7067 -29.2895 9.04353 -9.14561 7.34924 18.7148 TIMING: 2259400 CPU: 6548.6, 0.00286132/step Wall: 6548.6, 0.00286132/step, 2.17826 hours remaining, 209.484375 MB of memory in use. ENERGY: 2259400 723.9843 2125.6544 1933.0701 108.4342 -206053.5459 17595.5685 0.0000 0.0000 34329.8975 -149236.9368 299.8115 -183566.8343 -149138.2113 299.4763 -62.9278 -26.4834 557130.2633 17.5522 17.6148 PRESSURE: 2259600 30.9487 80.0929 -161.627 80.0942 389.352 -72.5653 -161.626 -72.5662 -3.36903 GPRESSURE: 2259600 98.7314 130.481 -75.3868 121.86 410.993 -68.2777 -259.114 -122.812 -12.4946 PRESSAVG: 2259600 2.66879 73.1734 -11.1024 73.1733 -83.6027 -63.2635 -11.1025 -63.2635 34.667 GPRESSAVG: 2259600 2.85597 74.4331 -10.9698 71.4743 -82.6198 -65.2875 -12.0522 -62.2629 33.4323 TIMING: 2259600 CPU: 6549.18, 0.00288471/step Wall: 6549.18, 0.00288471/step, 2.1959 hours remaining, 209.484375 MB of memory in use. ENERGY: 2259600 754.4117 2146.4798 1925.5020 124.5944 -206331.6541 18038.4231 0.0000 0.0000 34278.5227 -149063.7204 299.3629 -183342.2431 -148965.9518 299.2230 138.9773 165.7434 557156.1106 -15.4223 -15.4438 PRESSURE: 2259800 -363.076 -120.243 3.9945 -120.243 -128.603 -2.44586 3.99401 -2.44331 -93.8491 GPRESSURE: 2259800 -348.835 -164.005 -57.912 -124.414 -70.7081 -28.1023 18.2994 -6.67384 -66.6793 PRESSAVG: 2259800 -2.86068 71.5431 9.87423 71.5431 -54.8547 -30.9763 9.87431 -30.9763 63.7063 GPRESSAVG: 2259800 -2.63979 68.8488 10.6111 75.2851 -55.5549 -30.2467 10.378 -29.6596 65.1929 TIMING: 2259800 CPU: 6549.75, 0.00287795/step Wall: 6549.75, 0.00287795/step, 2.1906 hours remaining, 209.484375 MB of memory in use. ENERGY: 2259800 771.3549 2073.0254 1957.8742 108.3330 -205684.5242 17374.0104 0.0000 0.0000 34534.9415 -148864.9847 301.6022 -183399.9263 -148765.2458 300.5181 -195.1760 -162.0742 556833.1768 1.9970 2.3327 PRESSURE: 2260000 -61.7234 66.2369 -115.37 66.2374 -168.364 173.72 -115.369 173.718 -132.501 GPRESSURE: 2260000 -15.4011 10.5963 -164.64 81.949 -140.308 110.608 -125.599 56.1536 -91.7833 PRESSAVG: 2260000 -60.5852 78.0553 14.891 78.0552 -25.9669 -10.6931 14.8909 -10.6933 41.0108 GPRESSAVG: 2260000 -61.086 79.9965 14.8795 77.0345 -25.6495 -10.262 12.6139 -13.7018 41.1271 TIMING: 2260000 CPU: 6550.33, 0.00289173/step Wall: 6550.33, 0.00289173/step, 2.20093 hours remaining, 209.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2260000 741.7958 2075.4520 1955.0013 111.5847 -205795.6613 17505.8196 0.0000 0.0000 34586.1577 -148819.8501 302.0495 -183406.0079 -148725.2019 300.6593 -120.8627 -82.4974 558041.9229 -15.1804 -15.2028 PRESSURE: 2260200 258.329 -152.796 116.291 -152.797 125.143 -35.9565 116.29 -35.9561 325.008 GPRESSURE: 2260200 336.827 -139.824 152.117 -133.046 143.393 -52.3869 85.0075 6.10039 311.328 PRESSAVG: 2260200 15.4383 34.188 5.59064 34.1879 -39.2385 29.4659 5.59054 29.466 39.5621 GPRESSAVG: 2260200 17.2792 35.0291 3.54707 33.27 -41.7457 29.5614 6.32481 30.4616 40.443 TIMING: 2260200 CPU: 6550.91, 0.00288263/step Wall: 6550.91, 0.00288263/step, 2.19384 hours remaining, 209.484375 MB of memory in use. ENERGY: 2260200 765.0550 2092.3282 1938.0266 95.2804 -206354.6327 18154.7157 0.0000 0.0000 34379.9140 -148929.3128 300.2483 -183309.2268 -148830.1189 300.4737 236.1599 263.8496 555366.2342 5.2540 5.3255 LDB: ============= START OF LOAD BALANCING ============== 6554.29 LDB: ============== END OF LOAD BALANCING =============== 6554.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6554.29 LDB: ============= START OF LOAD BALANCING ============== 6554.58 LDB: Largest compute 4820 load 0.024103 is 20.4% of average load 0.117872 LDB: Average compute 0.001747 is 1.5% of average load 0.117872 LDB: TIME 6554.58 LOAD: AVG 0.117872 MAX 0.178725 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.938 MB LDB: TIME 6554.58 LOAD: AVG 0.117872 MAX 0.178725 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.938 MB LDB: TIME 6554.58 LOAD: AVG 0.117872 MAX 0.178725 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6554.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6554.59 PRESSURE: 2260400 81.9899 112.211 88.4262 112.21 -30.1267 -21.3809 88.4268 -21.3809 -1.61517 GPRESSURE: 2260400 33.8631 184.099 79.6921 65.5994 61.2275 -13.3185 34.3147 -1.93592 40.7536 PRESSAVG: 2260400 -18.3594 32.0675 24.3527 32.0674 -18.7841 19.5352 24.3527 19.5352 78.265 GPRESSAVG: 2260400 -18.7975 32.5641 23.6461 31.8458 -15.8321 22.8658 25.9828 18.0384 76.3961 TIMING: 2260400 CPU: 6551.49, 0.00291921/step Wall: 6551.49, 0.00291921/step, 2.22152 hours remaining, 208.910156 MB of memory in use. ENERGY: 2260400 719.3594 2129.6074 1931.4708 109.2543 -206013.0260 17738.5706 0.0000 0.0000 34290.1554 -149094.6081 299.4645 -183384.7635 -148996.0202 300.7894 16.7494 45.2814 556431.7959 13.7072 13.9222 PRESSURE: 2260600 -55.1818 163.457 51.6735 163.456 29.5468 110.168 51.6743 110.167 -195.353 GPRESSURE: 2260600 -67.3279 153.088 115.605 159.531 115.227 127.882 -38.7785 29.7358 -176.301 PRESSAVG: 2260600 -50.2271 3.78826 16.6808 3.78818 27.6318 26.5624 16.6808 26.5625 14.9689 GPRESSAVG: 2260600 -50.3033 4.111 17.2914 2.15488 27.9049 24.8224 15.9499 29.2494 14.6144 TIMING: 2260600 CPU: 6552.07, 0.00287408/step Wall: 6552.07, 0.00287408/step, 2.18702 hours remaining, 209.183594 MB of memory in use. ENERGY: 2260600 795.8501 2051.0824 1940.6297 116.9738 -206239.0893 17748.4869 0.0000 0.0000 34211.8487 -149374.2177 298.7806 -183586.0665 -149276.2544 299.3696 -73.6627 -42.8007 555719.4505 -2.5421 -2.5947 PRESSURE: 2260800 157.047 -52.0758 46.2268 -52.0742 39.4774 217.58 46.2256 217.579 -176.107 GPRESSURE: 2260800 169.182 37.7964 95.4082 -62.2726 60.3695 161.69 -11.1617 173.836 -109.598 PRESSAVG: 2260800 -21.6901 47.9338 -42.4093 47.9338 111.755 19.2618 -42.4092 19.2618 -45.3696 GPRESSAVG: 2260800 -21.4422 45.749 -40.6532 52.2256 110.884 18.2678 -43.0616 18.7705 -44.6394 TIMING: 2260800 CPU: 6552.64, 0.00288045/step Wall: 6552.64, 0.00288045/step, 2.1917 hours remaining, 209.183594 MB of memory in use. ENERGY: 2260800 772.4430 2103.6400 1935.1161 117.8213 -206403.4927 17926.4363 0.0000 0.0000 34230.0546 -149317.9813 298.9396 -183548.0359 -149221.3916 298.7683 6.8059 39.9847 555445.5372 14.8983 14.9341 PRESSURE: 2261000 275.555 -215.296 35.8607 -215.295 -78.5873 114.025 35.8602 114.025 140.492 GPRESSURE: 2261000 305.54 -213.998 -23.6015 -214.173 -38.5665 43.3404 125.79 159.487 174.386 PRESSAVG: 2261000 7.04687 -39.7895 -32.9025 -39.7893 46.5961 22.6044 -32.9025 22.6044 -28.2818 GPRESSAVG: 2261000 5.23956 -38.5599 -35.5548 -42.5961 47.8673 22.9637 -31.4263 22.2316 -27.5682 TIMING: 2261000 CPU: 6553.21, 0.00286666/step Wall: 6553.21, 0.00286666/step, 2.18105 hours remaining, 209.183594 MB of memory in use. ENERGY: 2261000 758.0328 2131.9807 1942.9014 122.4992 -206606.1234 18025.7575 0.0000 0.0000 34254.8219 -149370.1299 299.1559 -183624.9518 -149280.5857 298.9663 112.4866 147.1197 554056.2885 8.4537 8.5129 PRESSURE: 2261200 323.937 -67.8352 9.64043 -67.8343 -1.06609 -184.622 9.6397 -184.622 395.52 GPRESSURE: 2261200 365.299 -31.9981 -4.82362 -51.3813 10.3048 -129.886 27.1772 -121.384 426.803 PRESSAVG: 2261200 -85.7016 -26.9381 -17.2303 -26.9381 -7.96389 7.90139 -17.2304 7.90128 108.806 GPRESSAVG: 2261200 -84.5416 -28.7064 -14.7145 -25.2506 -8.86799 7.60044 -20.0171 9.14155 108.388 TIMING: 2261200 CPU: 6553.79, 0.00288926/step Wall: 6553.79, 0.00288926/step, 2.19808 hours remaining, 209.183594 MB of memory in use. ENERGY: 2261200 701.5118 2140.1070 1923.5097 131.0089 -206364.9711 18137.2654 0.0000 0.0000 34065.9691 -149265.5992 297.5066 -183331.5683 -149168.5059 299.2810 239.4636 267.4687 556161.8133 5.0468 4.9927 PRESSURE: 2261400 3.54688 -3.16095 42.1701 -3.16051 120.602 123.168 42.1694 123.168 -163.437 GPRESSURE: 2261400 65.6627 4.5407 88.6835 3.71928 168.115 95.2385 -26.4944 181.385 -168.596 PRESSAVG: 2261400 5.9703 -37.5344 5.35487 -37.5344 -78.5531 39.2351 5.35494 39.2352 10.5745 GPRESSAVG: 2261400 6.2898 -36.6279 3.53385 -38.6541 -78.5259 38.7329 4.99794 37.8644 10.3252 TIMING: 2261400 CPU: 6554.37, 0.00288901/step Wall: 6554.37, 0.00288901/step, 2.19773 hours remaining, 209.183594 MB of memory in use. ENERGY: 2261400 754.0899 2094.4711 1914.4462 101.5844 -206485.6427 17936.9328 0.0000 0.0000 34217.6595 -149466.4588 298.8313 -183684.1183 -149367.1845 298.7279 -13.0960 21.7272 556471.9410 -20.6694 -20.6370 PRESSURE: 2261600 -72.2988 -194.121 29.9342 -194.12 -168.125 90.8334 29.9341 90.8326 -126.106 GPRESSURE: 2261600 -44.0073 -292.207 37.556 -92.8828 -162.808 54.8339 29.9417 14.4561 -54.092 PRESSAVG: 2261600 15.7779 -5.59742 -41.3148 -5.59738 -68.5733 -29.3489 -41.3148 -29.3487 32.1149 GPRESSAVG: 2261600 15.0511 -5.96346 -40.487 -3.86203 -68.9625 -27.4913 -38.915 -31.0989 32.9481 TIMING: 2261600 CPU: 6554.95, 0.00289827/step Wall: 6554.95, 0.00289827/step, 2.20462 hours remaining, 209.183594 MB of memory in use. ENERGY: 2261600 728.6880 2145.6210 1962.8768 119.1830 -206063.4448 17576.0413 0.0000 0.0000 34087.4813 -149443.5534 297.6945 -183531.0347 -149348.5583 298.2870 -122.1767 -86.9692 557459.7776 -6.8935 -6.9878 PRESSURE: 2261800 0.821225 -6.50057 -132.239 -6.50061 -205.992 -83.0242 -132.239 -83.024 -293.084 GPRESSURE: 2261800 -9.67122 -13.6913 -130.853 -72.0133 -145.942 -149.595 -244.353 -144.503 -237.913 PRESSAVG: 2261800 87.4675 42.3824 -39.1769 42.3824 -29.3557 -45.0454 -39.1768 -45.0454 -18.602 GPRESSAVG: 2261800 87.8405 43.9521 -38.0655 40.1077 -29.0314 -44.9519 -42.2159 -43.6312 -19.1039 TIMING: 2261800 CPU: 6555.53, 0.00289807/step Wall: 6555.53, 0.00289807/step, 2.20431 hours remaining, 209.183594 MB of memory in use. ENERGY: 2261800 779.4833 2093.4841 1951.4520 120.8412 -205814.5055 17542.3853 0.0000 0.0000 33939.1670 -149387.6928 296.3992 -183326.8597 -149292.5014 298.1224 -166.0850 -131.1755 558099.5353 13.1699 13.2351 PRESSURE: 2262000 -285.433 -85.0918 25.8471 -85.0914 -417.79 39.969 25.8474 39.9697 -200.583 GPRESSURE: 2262000 -257.284 -194.953 29.3076 20.1991 -365.332 51.1286 6.18642 21.4993 -197.492 PRESSAVG: 2262000 9.51904 3.89443 31.3336 3.89445 -21.7651 -0.806469 31.3336 -0.806395 38.0347 GPRESSAVG: 2262000 9.09216 5.95453 29.9158 3.23019 -20.9737 0.53957 32.67 0.00398695 38.3961 TIMING: 2262000 CPU: 6556.11, 0.00290938/step Wall: 6556.11, 0.00290938/step, 2.21274 hours remaining, 209.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2262000 747.4093 2101.8634 1976.2944 123.0519 -206092.9691 17577.1988 0.0000 0.0000 34176.0849 -149391.0665 298.4682 -183567.1514 -149292.9254 298.3163 -301.2687 -273.3694 558742.8294 8.5962 8.8382 PRESSURE: 2262200 -62.3397 -54.3798 -80.3306 -54.3796 -97.9683 143.158 -80.3311 143.158 -185.319 GPRESSURE: 2262200 -23.65 -28.8284 -12.1998 -51.8696 -59.6477 122.451 -74.7519 118.028 -166.749 PRESSAVG: 2262200 13.549 11.8466 -73.6001 11.8468 -41.6136 0.991237 -73.6 0.991163 14.3453 GPRESSAVG: 2262200 14.5459 8.82851 -73.583 14.0893 -41.0215 -0.917645 -74.7115 -0.133219 12.9606 TIMING: 2262200 CPU: 6556.69, 0.00289812/step Wall: 6556.69, 0.00289812/step, 2.20402 hours remaining, 209.183594 MB of memory in use. ENERGY: 2262200 799.4156 2026.3745 1973.5954 109.3876 -206384.0481 17952.0683 0.0000 0.0000 34180.8648 -149342.3420 298.5100 -183523.2067 -149249.7663 299.1796 -115.2090 -83.3488 557115.6133 -4.5731 -4.5050 PRESSURE: 2262400 -206.617 17.3159 -171.387 17.3177 -109.036 -167.727 -171.386 -167.727 23.8275 GPRESSURE: 2262400 -220.901 -1.56542 -106.315 19.3226 -57.2198 -158.89 -175.363 -133.742 94.2513 PRESSAVG: 2262400 -7.52203 18.7905 -20.1439 18.7905 -16.0208 -41.9648 -20.1439 -41.9649 23.4107 GPRESSAVG: 2262400 -7.89976 17.7527 -18.9169 19.1089 -16.5812 -43.7504 -18.3781 -40.3135 24.8836 TIMING: 2262400 CPU: 6557.27, 0.00288621/step Wall: 6557.27, 0.00288621/step, 2.1948 hours remaining, 209.183594 MB of memory in use. ENERGY: 2262400 759.3259 2073.1573 1978.9582 126.8781 -205760.2550 17539.2850 0.0000 0.0000 34057.5625 -149225.0881 297.4332 -183282.6506 -149127.5107 299.3218 -97.2754 -61.2900 556736.3690 -0.0441 0.1342 PRESSURE: 2262600 -149.806 116.523 29.0681 116.522 120.62 73.5925 29.0678 73.5926 39.3932 GPRESSURE: 2262600 -101.535 79.078 55.1045 76.9919 182.702 55.4595 -31.7842 33.8943 20.3919 PRESSAVG: 2262600 9.31532 26.3485 6.56774 26.3486 -29.6786 51.8958 6.56772 51.8959 -7.05159 GPRESSAVG: 2262600 9.59728 25.6173 7.91937 28.7442 -30.8383 53.6719 7.18493 51.6278 -6.85279 TIMING: 2262600 CPU: 6557.85, 0.00289861/step Wall: 6557.85, 0.00289861/step, 2.20407 hours remaining, 209.183594 MB of memory in use. ENERGY: 2262600 718.0982 2082.6726 1976.7839 119.3748 -205878.4461 17553.6570 0.0000 0.0000 34244.6277 -149183.2319 299.0669 -183427.8597 -149079.8526 298.7095 3.4023 33.8529 556262.9433 -9.1383 -9.3646 PRESSURE: 2262800 335.922 -139.739 96.8453 -139.739 -244.365 -69.1577 96.8449 -69.1569 -10.1921 GPRESSURE: 2262800 339.465 -183.557 130.944 -112.541 -156.292 -37.7078 -15.0198 -65.1971 2.52743 PRESSAVG: 2262800 38.4134 30.4282 22.0294 30.4283 -32.3894 24.687 22.0295 24.6871 -45.5821 GPRESSAVG: 2262800 37.8522 34.061 19.6264 27.623 -31.3862 26.8317 21.9492 23.61 -45.7796 TIMING: 2262800 CPU: 6558.43, 0.00290488/step Wall: 6558.43, 0.00290488/step, 2.20868 hours remaining, 209.183594 MB of memory in use. ENERGY: 2262800 751.2359 2044.0336 1941.2089 102.7745 -206653.4679 18028.8041 0.0000 0.0000 34404.5925 -149380.8184 300.4639 -183785.4109 -149284.4448 298.7465 27.1214 61.9001 556858.4836 -13.1860 -13.1046 PRESSURE: 2263000 -24.4043 40.298 -238.681 40.2983 -93.8381 -21.8752 -238.681 -21.8736 87.0492 GPRESSURE: 2263000 22.0008 5.04936 -175.744 57.9106 -52.4791 -15.3452 -270.663 -60.8014 94.2261 PRESSAVG: 2263000 -44.245 3.80435 -11.2683 3.80431 -58.4535 10.5617 -11.2683 10.5617 45.7191 GPRESSAVG: 2263000 -43.2507 1.72338 -11.0937 5.80368 -58.989 7.75302 -10.2515 9.62918 45.4986 TIMING: 2263000 CPU: 6559.01, 0.0029162/step Wall: 6559.01, 0.0029162/step, 2.21712 hours remaining, 209.183594 MB of memory in use. ENERGY: 2263000 722.2001 2148.6188 1909.3976 110.7472 -206075.0409 17707.5093 0.0000 0.0000 34078.4281 -149398.1397 297.6154 -183476.5678 -149303.2167 298.6908 -10.3977 21.2493 557712.7568 -18.9931 -18.9137 PRESSURE: 2263200 -204.225 137.04 65.5065 137.04 -186.216 -4.87814 65.507 -4.87841 -11.4297 GPRESSURE: 2263200 -244.381 35.6512 102.254 125.187 -154.978 -65.9678 91.5141 -11.2026 86.8394 PRESSAVG: 2263200 63.7974 88.7073 9.22329 88.7073 -63.8202 -27.6659 9.22325 -27.6659 -0.985078 GPRESSAVG: 2263200 63.6012 88.0007 10.3827 87.6497 -62.3744 -26.8092 6.8172 -26.1678 -2.1846 TIMING: 2263200 CPU: 6559.59, 0.00290078/step Wall: 6559.59, 0.00290078/step, 2.20524 hours remaining, 209.183594 MB of memory in use. ENERGY: 2263200 737.4038 2083.2009 1927.1529 124.9786 -206372.7162 17743.3534 0.0000 0.0000 34335.8472 -149420.7794 299.8635 -183756.6266 -149331.1003 298.1678 -133.9571 -104.1734 559102.0232 -0.3360 -0.3193 PRESSURE: 2263400 -107.424 -25.115 39.2067 -25.115 -190.95 -87.6648 39.2062 -87.6639 -78.9956 GPRESSURE: 2263400 -61.2686 4.67126 103.616 -13.7569 -168.645 -38.9273 25.4606 -61.1902 -41.9474 PRESSAVG: 2263400 4.86069 38.397 -20.7804 38.3971 33.8165 -4.07852 -20.7804 -4.0785 -21.303 GPRESSAVG: 2263400 5.3065 38.4179 -20.9474 37.1308 32.7222 -4.15139 -18.8992 -3.85132 -20.3061 TIMING: 2263400 CPU: 6560.18, 0.00292384/step Wall: 6560.18, 0.00292383/step, 2.2226 hours remaining, 209.183594 MB of memory in use. ENERGY: 2263400 759.6658 2121.3676 1943.0166 119.7854 -206307.2176 17676.9869 0.0000 0.0000 34370.1571 -149316.2382 300.1631 -183686.3953 -149224.0665 299.2734 -125.7897 -90.6203 557919.9389 5.7914 5.9075 PRESSURE: 2263600 81.8147 23.2085 -0.57551 23.2093 -20.1538 176.102 -0.575088 176.1 -63.6336 GPRESSURE: 2263600 87.8788 100.814 60.3412 38.0603 15.6999 127.485 -14.1979 142.771 -3.10743 PRESSAVG: 2263600 -20.7753 -17.9099 -43.6468 -17.9099 36.6918 34.2443 -43.6467 34.2444 -24.0837 GPRESSAVG: 2263600 -21.1105 -15.1541 -44.7811 -18.2314 37.3765 33.8422 -43.3729 33.3549 -24.6147 TIMING: 2263600 CPU: 6560.75, 0.00286888/step Wall: 6560.75, 0.00286888/step, 2.18067 hours remaining, 209.183594 MB of memory in use. ENERGY: 2263600 726.5501 2102.2354 1963.8139 121.9855 -206301.8430 17817.2197 0.0000 0.0000 34295.9650 -149274.0733 299.5152 -183570.0383 -149178.9553 299.1209 -0.6576 33.4904 557448.9782 -2.7224 -2.7829 PRESSURE: 2263800 -123.249 -152.13 0.0459637 -152.129 -321.791 272.608 0.0451074 272.608 -130.6 GPRESSURE: 2263800 -70.5405 -168.819 -3.5369 -188.169 -332.347 278.264 20.2672 179.192 -79.2825 PRESSAVG: 2263800 -13.9391 -27.999 -23.5618 -27.9991 -41.4113 45.1168 -23.5618 45.1169 32.8917 GPRESSAVG: 2263800 -14.1757 -30.6163 -23.2544 -28.1085 -40.7268 46.6743 -23.1307 44.1414 33.3575 TIMING: 2263800 CPU: 6561.33, 0.0028856/step Wall: 6561.33, 0.0028856/step, 2.19321 hours remaining, 209.183594 MB of memory in use. ENERGY: 2263800 746.0674 2099.5714 1943.9588 113.9744 -206146.1651 17773.8795 0.0000 0.0000 34165.0891 -149303.6245 298.3722 -183468.7136 -149197.5374 299.1369 -191.8798 -160.7232 560015.1524 -7.4863 -7.1817 PRESSURE: 2264000 114.517 -13.4843 -81.8769 -13.4849 94.9883 14.3145 -81.8763 14.3131 -41.3752 GPRESSURE: 2264000 119.861 -0.725611 -45.9625 -33.8906 126.267 34.1199 -97.0723 -30.5266 19.9035 PRESSAVG: 2264000 61.828 -45.2631 11.2106 -45.2631 -25.1178 13.7177 11.2106 13.7177 -10.2009 GPRESSAVG: 2264000 62.3443 -44.0414 13.0068 -44.9426 -25.7281 11.226 8.94972 16.0878 -9.82888 TIMING: 2264000 CPU: 6561.91, 0.00291343/step Wall: 6561.91, 0.00291343/step, 2.21421 hours remaining, 209.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2264000 729.6304 2071.9877 1933.9490 121.5314 -206732.6802 18043.9654 0.0000 0.0000 34405.3508 -149426.2654 300.4705 -183831.6162 -149329.9479 299.1743 56.0433 88.6772 557032.5550 8.8364 8.9291 PRESSURE: 2264200 6.87207 -7.18282 -48.056 -7.18283 -45.8878 -20.7446 -48.0554 -20.7451 -306.018 GPRESSURE: 2264200 87.2855 20.6472 50.2816 -6.42052 -62.2129 -127.929 -64.3975 57.0405 -256.141 PRESSAVG: 2264200 63.52 -42.8954 60.6094 -42.8955 -77.3662 50.9625 60.6095 50.9624 52.97 GPRESSAVG: 2264200 63.7822 -44.6054 59.0047 -43.8235 -78.1453 51.9723 61.8648 51.0408 53.6493 TIMING: 2264200 CPU: 6562.49, 0.00289432/step Wall: 6562.49, 0.00289432/step, 2.19953 hours remaining, 209.183594 MB of memory in use. ENERGY: 2264200 751.8430 2074.9967 1953.7377 117.9446 -206075.5789 17795.3865 0.0000 0.0000 34152.4180 -149229.2523 298.2616 -183381.6703 -149139.8756 299.3123 -115.0111 -77.0228 558125.1785 13.0413 13.0954 LDB: ============= START OF LOAD BALANCING ============== 6565.88 LDB: ============== END OF LOAD BALANCING =============== 6565.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6565.88 LDB: ============= START OF LOAD BALANCING ============== 6566.17 LDB: Largest compute 4820 load 0.023744 is 20.1% of average load 0.117841 LDB: Average compute 0.001752 is 1.5% of average load 0.117841 LDB: TIME 6566.17 LOAD: AVG 0.117841 MAX 0.178753 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.703 MB LDB: TIME 6566.17 LOAD: AVG 0.117841 MAX 0.178753 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.816 MB LDB: TIME 6566.17 LOAD: AVG 0.117841 MAX 0.178753 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.816 MB LDB: ============== END OF LOAD BALANCING =============== 6566.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6566.18 PRESSURE: 2264400 20.2523 -1.99394 46.9985 -1.99521 -132.079 -80.5242 46.9991 -80.5236 -13.2899 GPRESSURE: 2264400 15.815 37.9699 22.2726 -10.4579 2.52643 -74.7647 194.194 -108.242 -51.0216 PRESSAVG: 2264400 36.7702 3.06257 5.51605 3.06255 -4.4215 36.3665 5.51604 36.3664 -50.1961 GPRESSAVG: 2264400 36.5137 4.31679 5.82603 1.82661 -2.73024 36.6327 5.7113 35.176 -51.4026 TIMING: 2264400 CPU: 6563.08, 0.00295632/step Wall: 6563.08, 0.00295631/step, 2.24647 hours remaining, 210.351562 MB of memory in use. ENERGY: 2264400 734.6670 2059.1827 1933.3527 104.6751 -206444.0948 17776.5225 0.0000 0.0000 34367.4738 -149468.2211 300.1397 -183835.6948 -149374.1113 299.5390 -41.7054 -10.8934 556171.7732 -5.9492 -5.8731 PRESSURE: 2264600 -241.803 59.3859 51.6711 59.3863 -51.6164 92.1913 51.6705 92.1904 -83.887 GPRESSURE: 2264600 -165.741 -12.6345 4.75391 24.658 -13.7235 98.6807 23.0105 71.1271 -89.1775 PRESSAVG: 2264600 -3.82511 -15.0917 -15.0899 -15.0917 25.7724 2.97464 -15.0898 2.97456 -55.0151 GPRESSAVG: 2264600 -5.12685 -12.9024 -13.9414 -14.2623 24.4711 2.73318 -16.2385 1.6254 -52.8617 TIMING: 2264600 CPU: 6563.66, 0.0029028/step Wall: 6563.66, 0.0029028/step, 2.20564 hours remaining, 210.554688 MB of memory in use. ENERGY: 2264600 743.7806 2078.6933 1928.8073 104.9222 -206051.9037 17610.8954 0.0000 0.0000 34183.6049 -149401.2000 298.5339 -183584.8049 -149306.4035 299.3196 -125.7687 -89.5473 556613.8059 -11.0226 -11.1725 PRESSURE: 2264800 314.689 49.3174 -93.213 49.3167 213.266 40.226 -93.2143 40.2261 118.272 GPRESSURE: 2264800 382.718 65.8116 -51.7991 48.8545 203.263 88.4921 -121.624 43.7394 158.881 PRESSAVG: 2264800 10.4846 -5.05252 -40.2107 -5.05249 33.827 -3.54433 -40.2105 -3.54426 -63.9542 GPRESSAVG: 2264800 11.4501 -7.36378 -41.5723 -4.9189 34.581 -3.32259 -39.9355 -0.0573597 -65.4386 TIMING: 2264800 CPU: 6564.24, 0.00291173/step Wall: 6564.24, 0.00291173/step, 2.21227 hours remaining, 210.554688 MB of memory in use. ENERGY: 2264800 717.9758 2054.0580 1963.6112 107.1166 -206606.5855 18131.0437 0.0000 0.0000 34232.1270 -149400.6533 298.9577 -183632.7803 -149298.8925 298.7531 215.4088 248.2871 557271.6118 -6.5475 -6.4692 PRESSURE: 2265000 -258.504 113.892 -64.3614 113.893 -6.14977 161.678 -64.362 161.678 -190.224 GPRESSURE: 2265000 -231.39 45.8046 -78.1128 119.832 16.968 132.221 -77.5454 140.714 -151.312 PRESSAVG: 2265000 58.3206 55.9112 -21.2505 55.9113 -17.1317 69.8087 -21.2505 69.8087 -24.7895 GPRESSAVG: 2265000 57.9738 55.0489 -21.4357 56.2366 -17.4084 68.9264 -21.2331 68.6319 -24.6155 TIMING: 2265000 CPU: 6564.82, 0.0028982/step Wall: 6564.82, 0.0028982/step, 2.20182 hours remaining, 210.554688 MB of memory in use. ENERGY: 2265000 727.4176 2111.5858 1941.6665 111.5866 -206187.5199 17797.0201 0.0000 0.0000 34148.7617 -149349.4817 298.2296 -183498.2434 -149249.7213 299.0610 -151.6262 -121.9113 558553.3890 5.4664 5.3166 PRESSURE: 2265200 -49.4022 -53.2081 -34.5368 -53.2074 -246.808 148.139 -34.5361 148.141 138.144 GPRESSURE: 2265200 -34.7632 -38.368 -101.686 -75.4159 -153.803 156.52 67.3348 108.536 126.494 PRESSAVG: 2265200 12.0023 -24.3447 -24.9346 -24.3447 15.4376 -33.4486 -24.9346 -33.4486 -48.3489 GPRESSAVG: 2265200 12.6704 -25.1394 -24.1322 -22.3697 15.111 -31.6768 -23.9792 -34.9174 -48.5816 TIMING: 2265200 CPU: 6565.4, 0.00289091/step Wall: 6565.4, 0.00289091/step, 2.19613 hours remaining, 210.554688 MB of memory in use. ENERGY: 2265200 734.9108 2083.7936 1970.9503 119.3493 -205938.3934 17662.6320 0.0000 0.0000 34032.9904 -149333.7670 297.2186 -183366.7575 -149245.8575 299.1583 -52.6890 -20.6905 557227.3798 -6.9697 -6.9334 PRESSURE: 2265400 -216.251 -42.6528 -56.7166 -42.6545 -78.4401 94.2229 -56.7179 94.2241 -486.316 GPRESSURE: 2265400 -222.778 -15.4153 -54.9632 4.63596 -64.5056 162.358 -35.6981 40.6438 -393.265 PRESSAVG: 2265400 -47.7423 -39.8629 26.0647 -39.8629 45.279 9.37711 26.0646 9.37718 40.1251 GPRESSAVG: 2265400 -47.8872 -40.7282 25.4512 -40.195 44.4226 7.97016 27.1472 9.50536 41.425 TIMING: 2265400 CPU: 6565.98, 0.00287676/step Wall: 6565.98, 0.00287676/step, 2.18522 hours remaining, 210.554688 MB of memory in use. ENERGY: 2265400 755.2760 2098.5647 1965.9327 110.2047 -205807.6865 17542.2105 0.0000 0.0000 34196.7031 -149138.7948 298.6483 -183335.4979 -149044.8556 298.5803 -260.3357 -226.8496 557886.2236 12.5539 12.6535 PRESSURE: 2265600 -1.655 -60.1536 -140.73 -60.1535 -184.622 40.2788 -140.73 40.2786 -1.2794 GPRESSURE: 2265600 -26.5138 -77.8996 -114.882 -174.722 -133.632 -19.768 -83.1075 51.3934 69.585 PRESSAVG: 2265600 -80.3363 -15.2115 13.1393 -15.2115 28.2933 24.4812 13.1392 24.4812 81.3441 GPRESSAVG: 2265600 -79.2796 -13.1714 13.1834 -18.0701 27.9923 24.1202 9.96875 24.2894 80.8105 TIMING: 2265600 CPU: 6566.55, 0.00287963/step Wall: 6566.55, 0.00287963/step, 2.18724 hours remaining, 210.554688 MB of memory in use. ENERGY: 2265600 765.6025 2033.6131 1966.6076 125.4182 -206352.6429 17771.3478 0.0000 0.0000 34498.6637 -149191.3901 301.2854 -183690.0538 -149092.3932 299.3649 -62.5186 -30.1871 556214.9189 9.7670 9.8411 PRESSURE: 2265800 292.41 -90.2971 118.66 -90.2972 220.348 54.0314 118.659 54.0305 439.652 GPRESSURE: 2265800 298.319 -79.6533 202.743 -87.8456 253.899 64.8781 152.721 -1.6326 498.637 PRESSAVG: 2265800 -5.8342 27.172 -22.3713 27.1719 -31.9292 9.2586 -22.3713 9.25858 27.5076 GPRESSAVG: 2265800 -7.20732 27.5764 -22.666 27.7672 -30.5397 11.2724 -22.4115 7.41647 27.4336 TIMING: 2265800 CPU: 6567.13, 0.00288732/step Wall: 6567.13, 0.00288732/step, 2.19292 hours remaining, 210.554688 MB of memory in use. ENERGY: 2265800 713.9397 2049.9282 1931.6001 127.8023 -206348.0201 18186.1598 0.0000 0.0000 34132.3822 -149206.2078 298.0866 -183338.5901 -149108.7580 300.0573 317.4700 350.2848 555608.3217 -3.4186 -3.4378 PRESSURE: 2266000 69.3296 -1.24131 -55.7412 -1.24061 129.639 280.89 -55.741 280.889 32.6909 GPRESSURE: 2266000 102.551 -82.7742 -78.1619 -36.6068 197.314 243.848 -32.253 291.462 44.2174 PRESSAVG: 2266000 77.4321 -12.2757 1.27726 -12.2757 57.2874 42.6648 1.27719 42.6649 -31.5925 GPRESSAVG: 2266000 78.1671 -10.1522 2.10539 -14.3672 57.6914 40.6653 3.88878 45.8406 -32.4588 TIMING: 2266000 CPU: 6567.7, 0.00286552/step Wall: 6567.7, 0.00286552/step, 2.1762 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2266000 713.0023 2076.5639 1934.2523 118.8852 -206173.7593 17856.6342 0.0000 0.0000 34188.4552 -149285.9663 298.5763 -183474.4215 -149187.7122 299.1742 77.2198 114.6942 554322.7077 34.3757 34.4666 PRESSURE: 2266200 81.671 -226.315 -17.3497 -226.314 -41.6551 -46.6694 -17.3511 -46.669 180.213 GPRESSURE: 2266200 132.653 -157.868 -4.04074 -268.735 -45.3794 -97.3822 -20.3855 -29.5871 225.114 PRESSAVG: 2266200 56.1273 -30.939 -30.7614 -30.9389 2.95588 12.622 -30.7614 12.6221 -51.3804 GPRESSAVG: 2266200 56.0465 -33.0731 -30.0387 -29.6707 3.28143 13.3693 -31.6404 10.6865 -51.9189 TIMING: 2266200 CPU: 6568.28, 0.00287672/step Wall: 6568.28, 0.00287672/step, 2.18455 hours remaining, 210.554688 MB of memory in use. ENERGY: 2266200 730.6984 2057.9947 1978.8038 116.3778 -206598.1026 18000.4578 0.0000 0.0000 34362.2649 -149351.5052 300.0942 -183713.7700 -149259.2193 298.8170 73.4097 104.1295 556525.8995 2.5676 2.4697 PRESSURE: 2266400 264.541 68.3688 113.92 68.3684 98.8064 0.699883 113.921 0.701616 266.381 GPRESSURE: 2266400 366.98 74.9276 87.9271 83.757 91.6011 29.6165 125.291 -83.2118 258.36 PRESSAVG: 2266400 102.148 -7.89033 32.602 -7.89042 -72.1007 4.3104 32.602 4.31051 -30.2055 GPRESSAVG: 2266400 102.133 -7.5246 31.7074 -7.95156 -73.851 4.41263 31.6644 4.1033 -28.414 TIMING: 2266400 CPU: 6568.85, 0.00286197/step Wall: 6568.85, 0.00286197/step, 2.17319 hours remaining, 210.554688 MB of memory in use. ENERGY: 2266400 722.0833 2091.7338 1951.6093 100.2059 -206808.2220 18013.5073 0.0000 0.0000 34506.1183 -149422.9641 301.3505 -183929.0824 -149326.6313 298.5676 209.9096 238.9806 555148.4105 -0.0526 -0.0439 PRESSURE: 2266600 -7.45396 -42.8545 -1.87057 -42.8553 -54.2556 11.8769 -1.87108 11.8766 -178.192 GPRESSURE: 2266600 18.1121 21.4126 -77.5091 51.7253 -49.6398 -47.0949 -28.2517 52.3195 -114.914 PRESSAVG: 2266600 13.1039 -5.45456 23.759 -5.45459 38.7768 35.1797 23.7589 35.1797 4.16448 GPRESSAVG: 2266600 11.9631 -5.66578 25.8715 -6.26274 39.5393 33.5992 23.1061 37.5382 4.60302 TIMING: 2266600 CPU: 6569.43, 0.00289077/step Wall: 6569.43, 0.00289077/step, 2.1949 hours remaining, 210.640625 MB of memory in use. ENERGY: 2266600 745.3037 2052.6672 1957.0581 103.6352 -206301.4185 17783.1094 0.0000 0.0000 34152.8724 -149506.7725 298.2655 -183659.6449 -149415.0848 298.0558 -79.9673 -48.8138 555888.0358 18.6817 18.7018 PRESSURE: 2266800 -201.085 -44.584 -129.462 -44.5845 187.556 -75.0987 -129.462 -75.099 -52.151 GPRESSURE: 2266800 -145.709 11.1442 -27.0945 -58.0286 239.605 -76.7025 -126.537 -60.1783 -65.2473 PRESSAVG: 2266800 -2.21911 -13.6401 24.009 -13.6399 -18.0989 16.4847 24.0088 16.4848 -3.04324 GPRESSAVG: 2266800 -2.25078 -14.0272 22.4189 -12.641 -17.8909 16.7087 25.6936 15.331 -3.55648 TIMING: 2266800 CPU: 6570.01, 0.00289174/step Wall: 6570.01, 0.00289174/step, 2.19548 hours remaining, 210.640625 MB of memory in use. ENERGY: 2266800 740.9169 2056.2309 1975.5796 118.7025 -205806.1539 17445.9882 0.0000 0.0000 34304.5468 -149164.1889 299.5901 -183468.7357 -149070.9543 299.9179 -21.8934 9.5497 555252.9183 -7.7871 -7.8994 PRESSURE: 2267000 103.569 46.2134 -33.3866 46.2136 6.43062 -32.6081 -33.3857 -32.6079 33.2816 GPRESSURE: 2267000 84.7266 27.543 -28.0454 23.9728 77.9463 -53.4176 -66.5488 -19.2879 82.6783 PRESSAVG: 2267000 18.1598 3.25929 26.7373 3.25928 20.7234 18.0681 26.7373 18.0682 -28.2429 GPRESSAVG: 2267000 18.6411 2.7393 26.3175 5.04587 19.4949 18.6679 25.5429 17.7458 -27.7978 TIMING: 2267000 CPU: 6570.58, 0.00286928/step Wall: 6570.58, 0.00286928/step, 2.17826 hours remaining, 210.640625 MB of memory in use. ENERGY: 2267000 759.7485 2072.7653 1925.3006 121.4785 -206520.3550 17996.4111 0.0000 0.0000 34322.0259 -149322.6251 299.7428 -183644.6510 -149226.2817 299.4175 47.7604 81.7837 556336.1492 3.5468 3.4461 PRESSURE: 2267200 156.043 -65.5767 81.5757 -65.578 -257.35 84.1205 81.5748 84.1199 -173.904 GPRESSURE: 2267200 154.199 -5.19626 94.6439 -36.4959 -216.359 142.622 -0.684458 41.4057 -112.639 PRESSAVG: 2267200 7.78613 -6.67111 14.9532 -6.67123 -6.10333 99.7217 14.9532 99.7216 -25.911 GPRESSAVG: 2267200 7.51083 -6.87775 15.2152 -7.4414 -5.18355 100.783 15.7366 99.2224 -26.2427 TIMING: 2267200 CPU: 6571.16, 0.002874/step Wall: 6571.16, 0.002874/step, 2.18169 hours remaining, 210.640625 MB of memory in use. ENERGY: 2267200 734.1229 2078.3225 1948.0082 127.8849 -206285.3317 17686.2881 0.0000 0.0000 34285.1300 -149425.5751 299.4206 -183710.7050 -149332.6100 298.6986 -91.7371 -58.2662 555320.3706 -8.0761 -7.9718 PRESSURE: 2267400 -84.3576 41.3977 -47.4279 41.3975 -240.137 -81.8692 -47.4262 -81.8698 -65.5606 GPRESSURE: 2267400 -13.9514 83.7988 -42.0241 106.842 -166.973 -120.621 -62.1633 -95.6019 -119.7 PRESSAVG: 2267400 -3.0052 23.0941 16.608 23.094 -30.5173 -3.91509 16.6081 -3.91496 35.6579 GPRESSAVG: 2267400 -2.80946 24.9369 16.8235 22.3143 -31.0796 -6.50107 17.7349 -2.01972 35.041 TIMING: 2267400 CPU: 6571.73, 0.00288381/step Wall: 6571.73, 0.00288381/step, 2.18897 hours remaining, 210.640625 MB of memory in use. ENERGY: 2267400 758.1430 2080.5334 1934.7312 115.2367 -206095.6608 17725.5838 0.0000 0.0000 34074.6708 -149406.7618 297.5826 -183481.4326 -149318.8569 298.8645 -130.0184 -100.2082 557429.1317 0.7118 0.3840 PRESSURE: 2267600 -88.422 14.5203 -52.4763 14.5199 94.1511 146.21 -52.4772 146.21 108.041 GPRESSURE: 2267600 -74.1907 -62.3836 -62.2802 87.5451 141.973 141.531 -39.3707 252.48 147.939 PRESSAVG: 2267600 12.9657 54.7735 -37.3847 54.7734 2.29827 3.313 -37.3845 3.31306 -9.09447 GPRESSAVG: 2267600 11.8321 54.7683 -38.1486 56.0261 2.70175 2.70767 -38.1489 2.75284 -8.68869 TIMING: 2267600 CPU: 6572.31, 0.00287672/step Wall: 6572.31, 0.00287672/step, 2.18343 hours remaining, 210.640625 MB of memory in use. ENERGY: 2267600 715.2661 2086.0702 1926.9805 120.2462 -206507.9198 17801.6125 0.0000 0.0000 34386.5445 -149471.1997 300.3062 -183857.7442 -149377.6590 299.0341 37.9232 71.9070 555060.5609 2.0565 1.9484 PRESSURE: 2267800 -65.9919 21.6405 -104.923 21.6417 -34.5952 28.7417 -104.923 28.7422 146.005 GPRESSURE: 2267800 -36.5526 51.8192 -134.163 -49.1506 1.42995 64.5701 -73.5399 -19.0608 172.724 PRESSAVG: 2267800 -10.1608 30.1492 5.36119 30.1492 0.247938 61.9297 5.36124 61.9297 15.8945 GPRESSAVG: 2267800 -9.68727 28.1988 5.3067 29.4481 -0.232196 65.9634 5.86883 59.3748 15.7644 TIMING: 2267800 CPU: 6572.89, 0.00288736/step Wall: 6572.89, 0.00288736/step, 2.19134 hours remaining, 210.640625 MB of memory in use. ENERGY: 2267800 776.1201 2081.0547 1956.9228 123.2061 -206445.0858 17928.5366 0.0000 0.0000 34077.2104 -149502.0351 297.6048 -183579.2456 -149402.9759 298.9144 15.1394 45.8673 557100.2708 1.9939 1.9483 PRESSURE: 2268000 -153.597 52.9627 -133.338 52.9629 -24.4666 68.6998 -133.338 68.7007 -104.545 GPRESSURE: 2268000 -99.1128 33.725 -256.304 73.0222 -34.1499 176.076 -47.0213 93.8063 -50.9968 PRESSAVG: 2268000 12.3358 -20.6231 48.2837 -20.6231 -37.5952 -7.98303 48.2837 -7.983 7.01904 GPRESSAVG: 2268000 13.8011 -19.2596 50.8309 -19.9864 -38.1467 -10.4921 46.285 -5.55506 6.5387 TIMING: 2268000 CPU: 6573.46, 0.00287716/step Wall: 6573.46, 0.00287716/step, 2.18344 hours remaining, 210.640625 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: 2268000 753.8347 2071.7957 1948.5610 98.2331 -206099.0433 17701.3842 0.0000 0.0000 33920.3640 -149604.8706 296.2350 -183525.2346 -149512.6152 298.0639 -94.2028 -61.4198 557967.4862 -6.0801 -5.9356 PRESSURE: 2268200 287.076 62.6024 31.3727 62.602 -133.523 -187.005 31.3726 -187.006 314.34 GPRESSURE: 2268200 302.308 69.7715 8.05266 33.576 -92.6684 -209.355 86.6081 -180.931 354.989 PRESSAVG: 2268200 -43.4492 24.0061 40.2535 24.006 -8.58869 14.8251 40.2536 14.8251 33.4387 GPRESSAVG: 2268200 -44.568 24.1377 38.8589 22.6861 -8.08157 14.6032 41.1973 15.263 34.4349 TIMING: 2268200 CPU: 6574.04, 0.00288342/step Wall: 6574.04, 0.00288342/step, 2.18803 hours remaining, 210.640625 MB of memory in use. ENERGY: 2268200 757.5700 2051.2280 1919.9993 104.3821 -206836.5546 18172.4708 0.0000 0.0000 34241.7215 -149589.1829 299.0415 -183830.9044 -149493.7887 298.4278 155.9641 188.2097 555762.9476 -6.1997 -6.0715 LDB: ============= START OF LOAD BALANCING ============== 6577.42 LDB: ============== END OF LOAD BALANCING =============== 6577.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6577.42 LDB: ============= START OF LOAD BALANCING ============== 6577.71 LDB: Largest compute 4820 load 0.022962 is 19.5% of average load 0.117915 LDB: Average compute 0.001739 is 1.5% of average load 0.117915 LDB: TIME 6577.72 LOAD: AVG 0.117915 MAX 0.180225 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.629 MB LDB: TIME 6577.72 LOAD: AVG 0.117915 MAX 0.180225 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.629 MB LDB: TIME 6577.72 LOAD: AVG 0.117915 MAX 0.180225 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6577.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6577.72 PRESSURE: 2268400 -67.9227 11.7677 -62.6763 11.7686 -11.7927 94.5405 -62.6765 94.5406 120.691 GPRESSURE: 2268400 -26.6484 35.047 -80.1418 18.8918 34.6112 163.252 -24.7435 121.914 117.83 PRESSAVG: 2268400 -15.0169 25.4845 13.6612 25.4845 0.272726 -10.5471 13.6612 -10.547 55.1926 GPRESSAVG: 2268400 -14.9553 24.4697 13.7241 26.24 0.116068 -9.68589 12.3316 -10.4823 55.5727 TIMING: 2268400 CPU: 6574.63, 0.00294643/step Wall: 6574.63, 0.00294643/step, 2.23569 hours remaining, 209.421875 MB of memory in use. ENERGY: 2268400 774.1946 2076.1800 1947.8249 113.6056 -206350.6616 17851.4354 0.0000 0.0000 34319.0895 -149268.3317 299.7171 -183587.4212 -149176.3713 299.0811 13.6586 41.9309 556033.5147 13.4828 13.5778 PRESSURE: 2268600 223.156 143.208 169.233 143.208 144.068 38.7469 169.233 38.7474 115.942 GPRESSURE: 2268600 301.224 128.081 214.306 111.357 160.577 94.1903 145.57 0.00375589 128.915 PRESSAVG: 2268600 -2.69591 13.8034 95.4537 13.8034 35.2386 3.70575 95.4537 3.70585 21.6306 GPRESSAVG: 2268600 -2.18226 15.512 94.6283 12.9857 34.9239 3.78848 95.7418 1.20041 21.8485 TIMING: 2268600 CPU: 6575.2, 0.00288754/step Wall: 6575.2, 0.00288754/step, 2.19084 hours remaining, 209.625000 MB of memory in use. ENERGY: 2268600 743.8691 2082.5167 1924.3674 111.7426 -206924.4265 18252.1022 0.0000 0.0000 34539.0979 -149270.7306 301.6385 -183809.8285 -149183.7867 299.1416 161.0552 196.9054 556126.2473 18.0578 18.1967 PRESSURE: 2268800 -54.5101 -78.2281 -37.4402 -78.2282 48.5885 117.679 -37.4393 117.679 234.321 GPRESSURE: 2268800 -62.0781 -69.5912 -22.8893 -69.3541 112.683 137.204 -8.84331 103.658 280.078 PRESSAVG: 2268800 14.848 34.3301 16.2586 34.33 6.11727 23.7559 16.2586 23.7558 9.40847 GPRESSAVG: 2268800 14.8562 32.6874 17.5395 36.7884 6.94651 22.3555 16.0303 26.027 8.77456 TIMING: 2268800 CPU: 6575.78, 0.00288787/step Wall: 6575.78, 0.00288787/step, 2.19093 hours remaining, 209.625000 MB of memory in use. ENERGY: 2268800 706.8432 2049.8177 1961.2959 120.5347 -206140.3099 17877.7342 0.0000 0.0000 34221.1949 -149202.8894 298.8622 -183424.0843 -149113.0892 299.3640 76.1331 110.2275 557903.0778 10.1246 10.1924 PRESSURE: 2269000 -143.223 -181.793 39.2419 -181.792 155.769 -66.4777 39.2423 -66.4774 -224.578 GPRESSURE: 2269000 -119.648 -165.658 -17.936 -185.902 151.19 -81.5963 10.9892 -13.3249 -158.899 PRESSAVG: 2269000 -29.6489 -41.9018 -18.057 -41.9018 -16.5202 22.3887 -18.057 22.3887 38.8115 GPRESSAVG: 2269000 -30.1232 -40.4886 -18.2798 -40.8201 -15.7836 24.4662 -16.9356 22.0901 38.6971 TIMING: 2269000 CPU: 6576.36, 0.00287611/step Wall: 6576.36, 0.00287611/step, 2.18185 hours remaining, 209.625000 MB of memory in use. ENERGY: 2269000 731.4924 2055.1362 1911.1131 112.3493 -206049.6095 17740.3897 0.0000 0.0000 34275.3759 -149223.7530 299.3354 -183499.1288 -149121.1291 299.3529 -70.6770 -42.4526 557552.2200 -2.4526 -2.4032 PRESSURE: 2269200 -30.3683 79.0071 -36.0223 79.0073 26.3359 -224.781 -36.0223 -224.782 49.6797 GPRESSURE: 2269200 -36.7266 64.9911 -37.6214 64.6583 96.2417 -217.612 15.7327 -300.677 95.6694 PRESSAVG: 2269200 -51.6328 -2.17874 -14.599 -2.17887 24.3319 -0.937056 -14.5991 -0.937188 9.14993 GPRESSAVG: 2269200 -49.7781 -6.08866 -15.2689 -1.80284 23.0707 -3.08768 -12.9172 0.0420399 8.69098 TIMING: 2269200 CPU: 6576.94, 0.00288889/step Wall: 6576.94, 0.00288889/step, 2.19139 hours remaining, 209.625000 MB of memory in use. ENERGY: 2269200 737.9514 2088.0476 1941.8582 112.5534 -206262.8026 17827.4135 0.0000 0.0000 34182.6874 -149372.2912 298.5259 -183554.9785 -149275.0625 298.9250 15.2158 51.7282 556388.3748 -6.0503 -6.0054 PRESSURE: 2269400 -142.817 23.8465 115.795 23.8466 103.767 -86.8257 115.796 -86.8266 -81.9103 GPRESSURE: 2269400 -102.739 -38.6898 150.164 0.339345 128.385 -31.9867 128.738 -149.46 -38.8463 PRESSAVG: 2269400 1.27724 11.7322 27.2988 11.7322 6.88916 -29.0077 27.2989 -29.0078 -6.19843 GPRESSAVG: 2269400 0.53879 15.407 29.9533 9.19057 7.8423 -27.4997 24.4975 -30.3657 -6.23006 TIMING: 2269400 CPU: 6577.51, 0.00289004/step Wall: 6577.51, 0.00289004/step, 2.19209 hours remaining, 209.625000 MB of memory in use. ENERGY: 2269400 707.0902 2110.3889 1924.9466 117.1649 -206078.8633 17693.7043 0.0000 0.0000 34243.0035 -149282.5650 299.0527 -183525.5684 -149188.1605 299.0928 -40.3202 -4.4000 557731.4293 0.6560 0.7170 PRESSURE: 2269600 2.30399 -46.2525 -3.38216 -46.252 86.4908 40.3163 -3.38055 40.3169 -62.7785 GPRESSURE: 2269600 -0.225361 -54.0588 -32.8159 -100.3 103.237 0.854361 -49.7489 106.89 15.1407 PRESSAVG: 2269600 -29.2614 -1.01964 62.5662 -1.01967 24.2734 -32.7071 62.5662 -32.7071 -7.52182 GPRESSAVG: 2269600 -29.5571 -3.17602 59.631 1.02407 23.7983 -33.4749 65.4231 -32.2746 -5.81123 TIMING: 2269600 CPU: 6578.09, 0.00287242/step Wall: 6578.09, 0.00287242/step, 2.17857 hours remaining, 209.625000 MB of memory in use. ENERGY: 2269600 727.6501 2022.3074 1956.3345 104.0235 -205778.8074 17677.2925 0.0000 0.0000 34139.7382 -149151.4612 298.1508 -183291.1994 -149055.2744 298.8874 8.6721 39.3840 558008.3374 -4.1699 -3.8567 PRESSURE: 2269800 -63.9914 -11.9837 -132.545 -11.9843 -35.5027 -193.76 -132.546 -193.757 -13.9317 GPRESSURE: 2269800 -14.1265 52.2583 -118.884 52.3161 -25.481 -181.483 -113.097 -186.602 8.49519 PRESSAVG: 2269800 -7.65459 -16.3132 -7.13039 -16.3132 16.0447 -31.2524 -7.13037 -31.2525 33.068 GPRESSAVG: 2269800 -6.40167 -13.1898 -7.14981 -18.9176 15.7755 -32.6965 -8.01184 -29.133 31.7589 TIMING: 2269800 CPU: 6578.66, 0.00286525/step Wall: 6578.66, 0.00286525/step, 2.17297 hours remaining, 209.625000 MB of memory in use. ENERGY: 2269800 700.8141 2067.0749 1935.6115 107.4881 -206156.6687 17711.6760 0.0000 0.0000 34691.6699 -148942.3342 302.9710 -183634.0040 -148838.5130 300.1131 -37.8086 -10.3708 558147.4458 13.8193 13.7109 PRESSURE: 2270000 -251.432 81.8786 -124.833 81.8779 -473.867 264.653 -124.833 264.653 47.0842 GPRESSURE: 2270000 -200.751 104.09 -74.0532 110.596 -465.78 261.53 -160.505 233.973 89.331 PRESSAVG: 2270000 12.1516 -3.72802 -40.9693 -3.72797 -17.0953 16.7345 -40.9693 16.7344 -26.1175 GPRESSAVG: 2270000 10.9292 -3.14668 -40.2223 -1.74289 -16.5672 19.2409 -42.3844 14.0088 -25.2568 TIMING: 2270000 CPU: 6579.23, 0.00286798/step Wall: 6579.23, 0.00286798/step, 2.17488 hours remaining, 209.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2270000 745.9665 2102.7549 1963.5191 103.9781 -205706.7835 17431.9358 0.0000 0.0000 34294.4437 -149064.1854 299.5019 -183358.6291 -148970.9178 299.4199 -226.0717 -192.4001 558035.7529 -10.3537 -10.2983 PRESSURE: 2270200 118.167 -47.7667 -78.8157 -47.7663 4.44575 121.623 -78.815 121.623 -69.764 GPRESSURE: 2270200 130.113 -71.36 -164.287 -19.8051 21.7736 204.867 -77.1008 76.9356 -7.39561 PRESSAVG: 2270200 -52.7636 32.2217 15.8311 32.2217 23.4248 39.7395 15.831 39.7396 11.2201 GPRESSAVG: 2270200 -51.2711 29.7324 15.5011 33.5507 21.9092 39.9826 17.194 41.333 10.9712 TIMING: 2270200 CPU: 6579.82, 0.00291315/step Wall: 6579.82, 0.00291315/step, 2.20898 hours remaining, 209.625000 MB of memory in use. ENERGY: 2270200 749.8813 2074.1392 1965.5728 120.8624 -206095.2618 17832.3085 0.0000 0.0000 34192.4789 -149160.0187 298.6114 -183352.4976 -149074.3119 299.7162 17.6161 48.1638 557510.5753 -6.0396 -6.1303 PRESSURE: 2270400 -205.983 -80.4114 -38.3582 -80.411 -96.8269 81.4793 -38.3591 81.4801 -205.733 GPRESSURE: 2270400 -169.341 4.42425 -28.8831 -111.806 -67.8876 86.8159 -42.2595 36.6187 -179.238 PRESSAVG: 2270400 34.3344 25.0903 8.03903 25.0903 29.2948 -1.37721 8.03893 -1.37728 -54.9809 GPRESSAVG: 2270400 32.9286 26.8115 10.6428 22.7065 30.2515 -0.948474 6.40399 -2.82809 -54.6132 TIMING: 2270400 CPU: 6580.4, 0.0028938/step Wall: 6580.4, 0.0028938/step, 2.19414 hours remaining, 209.625000 MB of memory in use. ENERGY: 2270400 730.9201 2033.4996 1937.4201 129.1529 -205770.6324 17480.2842 0.0000 0.0000 34264.4877 -149194.8678 299.2403 -183459.3555 -149099.2160 298.8961 -169.5141 -138.8224 558531.6678 2.8828 2.8556 PRESSURE: 2270600 -271.675 35.1105 -51.724 35.1102 -198.956 39.8449 -51.724 39.8443 -292.365 GPRESSURE: 2270600 -170.929 51.2011 -57.0373 71.5457 -194.862 -27.3812 -56.5511 -23.6175 -298.996 PRESSAVG: 2270600 25.8955 8.78426 11.7629 8.78435 -37.5065 26.9657 11.763 26.9657 9.03125 GPRESSAVG: 2270600 26.7034 9.78888 9.54293 10.1947 -36.8725 24.8776 12.9275 26.7595 8.0251 TIMING: 2270600 CPU: 6580.97, 0.00287516/step Wall: 6580.97, 0.00287516/step, 2.17985 hours remaining, 209.625000 MB of memory in use. ENERGY: 2270600 766.2872 2044.8265 1924.0383 114.7450 -205733.4900 17454.3334 0.0000 0.0000 34418.7182 -149010.5415 300.5872 -183429.2597 -148915.5839 298.9425 -254.3323 -221.5955 559130.2476 -0.8599 -0.7147 PRESSURE: 2270800 187.591 58.7967 -43.259 58.7961 96.999 26.9025 -43.2581 26.9035 296.162 GPRESSURE: 2270800 216.032 119.79 18.897 15.9123 105.739 43.4959 -108.385 103.181 345.744 PRESSAVG: 2270800 -27.0851 -1.92395 28.6293 -1.92391 16.7154 33.2923 28.6293 33.2924 -20.8105 GPRESSAVG: 2270800 -26.344 -4.05373 30.2128 -1.5064 15.8402 35.3979 29.5948 33.7726 -20.6479 TIMING: 2270800 CPU: 6581.55, 0.00288194/step Wall: 6581.55, 0.00288194/step, 2.18483 hours remaining, 209.625000 MB of memory in use. ENERGY: 2270800 732.2324 2043.0199 1936.1695 109.5420 -206391.5940 18123.8740 0.0000 0.0000 34442.8823 -149003.8739 300.7983 -183446.7562 -148908.2763 300.1490 193.5839 222.5050 556988.4286 -10.3934 -10.3839 PRESSURE: 2271000 -54.8885 62.7953 -0.0337088 62.7961 284.706 113.755 -0.0344918 113.754 -212.69 GPRESSURE: 2271000 -53.5226 108.14 -70.0987 64.9811 365.78 54.8961 31.9982 82.4488 -189.819 PRESSAVG: 2271000 5.57526 13.0675 -6.85272 13.0675 81.9399 21.6339 -6.85266 21.634 -104.503 GPRESSAVG: 2271000 5.8357 13.0436 -6.72157 13.3587 81.9429 21.8554 -7.88831 21.5525 -104.89 TIMING: 2271000 CPU: 6582.12, 0.00288704/step Wall: 6582.12, 0.00288704/step, 2.18854 hours remaining, 209.625000 MB of memory in use. ENERGY: 2271000 730.5317 2075.2197 1911.3710 126.1826 -205964.3733 17651.8289 0.0000 0.0000 34400.6723 -149068.5671 300.4296 -183469.2394 -148973.0700 299.6418 5.7093 40.8127 556688.6842 -5.6626 -5.7037 PRESSURE: 2271200 -13.0466 -46.9744 371.875 -46.9746 147.104 131.162 371.874 131.164 187.298 GPRESSURE: 2271200 55.5643 32.5614 346.698 -36.3632 218.643 124.725 320.542 123.741 147.241 PRESSAVG: 2271200 38.5053 -44.5648 -12.9787 -44.5649 -64.8398 58.9402 -12.9787 58.9402 10.842 GPRESSAVG: 2271200 38.177 -45.246 -12.4888 -44.349 -64.3193 59.24 -13.99 57.3758 11.2435 TIMING: 2271200 CPU: 6582.7, 0.00288652/step Wall: 6582.7, 0.00288652/step, 2.18798 hours remaining, 209.625000 MB of memory in use. ENERGY: 2271200 718.6094 2047.4218 1924.4997 110.5009 -206066.0027 17879.1368 0.0000 0.0000 34492.8142 -148893.0197 301.2343 -183385.8340 -148794.4889 299.4438 107.1186 140.4827 557084.8113 -5.1642 -4.9663 PRESSURE: 2271400 -25.5478 35.6143 -146.464 35.6133 107.339 -172.793 -146.463 -172.794 11.9564 GPRESSURE: 2271400 27.7709 -71.3702 0.525656 33.9904 169.767 -169.4 -140.42 -208.218 -4.62803 PRESSAVG: 2271400 -4.01771 7.83957 42.4066 7.83956 -89.6713 -17.4243 42.4066 -17.4245 42.9305 GPRESSAVG: 2271400 -3.63189 8.08086 43.1192 8.63284 -89.8734 -16.8202 42.9915 -15.5675 43.002 TIMING: 2271400 CPU: 6583.28, 0.00287695/step Wall: 6583.28, 0.00287695/step, 2.18057 hours remaining, 209.625000 MB of memory in use. ENERGY: 2271400 721.4664 2102.0344 1926.0140 118.7438 -206218.7520 17869.4396 0.0000 0.0000 34618.4147 -148862.6391 302.3312 -183481.0538 -148766.7065 300.0271 31.2492 64.3033 558791.3475 -16.9195 -16.8344 PRESSURE: 2271600 25.2126 -38.8168 -9.10091 -38.8164 55.3128 -26.9481 -9.10181 -26.9483 456.045 GPRESSURE: 2271600 104.093 19.4986 115.994 -134.053 62.1574 49.9532 -1.78407 -69.4509 470.083 PRESSAVG: 2271600 -50.9466 -27.5263 34.7326 -27.5263 10.8636 13.7898 34.7327 13.7897 15.8624 GPRESSAVG: 2271600 -52.3975 -26.2432 31.8732 -27.431 12.4017 11.1036 36.0565 13.4293 15.4025 TIMING: 2271600 CPU: 6583.85, 0.00287201/step Wall: 6583.85, 0.00287201/step, 2.17667 hours remaining, 209.625000 MB of memory in use. ENERGY: 2271600 731.6839 2088.3713 1947.7283 120.2634 -205851.7933 18012.2459 0.0000 0.0000 34189.1971 -148762.3034 298.5828 -182951.5004 -148665.2694 300.8271 178.8567 212.1110 558251.6622 -8.0735 -8.1978 PRESSURE: 2271800 46.0345 18.9313 -16.7831 18.9303 181.814 -74.0878 -16.7832 -74.0869 148.882 GPRESSURE: 2271800 139.272 33.7122 -31.2526 101.925 263.111 -115.617 -4.46864 -8.79185 74.2245 PRESSAVG: 2271800 -29.93 1.51086 33.1911 1.51091 42.0148 -5.52372 33.1911 -5.52374 8.90008 GPRESSAVG: 2271800 -30.0236 2.13259 33.305 2.71633 41.4232 -5.65851 34.7539 -4.78997 9.36967 TIMING: 2271800 CPU: 6584.42, 0.00284898/step Wall: 6584.42, 0.00284898/step, 2.15905 hours remaining, 209.625000 MB of memory in use. ENERGY: 2271800 763.3002 1984.1408 1952.9475 100.2927 -206054.3364 18030.8731 0.0000 0.0000 34272.3034 -148950.4786 299.3085 -183222.7820 -148848.3978 299.0488 125.5766 158.8690 557313.2284 6.9950 6.9231 PRESSURE: 2272000 85.0506 -62.2448 15.2268 -62.2449 -23.5951 18.7225 15.2262 18.721 -31.5658 GPRESSURE: 2272000 143.078 37.3689 19.6708 -167.953 10.5111 53.7684 60.5037 -2.88695 -22.014 PRESSAVG: 2272000 8.72165 -50.535 24.4682 -50.535 23.5357 55.5457 24.4682 55.5457 -28.9187 GPRESSAVG: 2272000 8.62031 -51.8844 24.1757 -52.6596 23.1222 57.3433 24.8484 55.3543 -28.647 TIMING: 2272000 CPU: 6585, 0.00287285/step Wall: 6585, 0.00287285/step, 2.17698 hours remaining, 209.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2272000 792.1386 2022.1022 1936.4296 110.5084 -206080.9348 17852.3606 0.0000 0.0000 34473.0227 -148894.3727 301.0615 -183367.3954 -148796.5408 299.1468 9.9632 43.8586 557191.9389 1.1129 1.0318 PRESSURE: 2272200 -128.894 -1.00657 77.7987 -1.006 -70.0339 192.35 77.7978 192.349 1.69242 GPRESSURE: 2272200 -130.742 -31.4761 9.09801 25.0337 -16.1769 219.333 97.0623 193.89 44.2316 PRESSAVG: 2272200 -19.6108 -46.7319 -12.5555 -46.7319 -43.0224 10.8945 -12.5556 10.8946 46.7739 GPRESSAVG: 2272200 -20.3527 -46.1201 -10.3053 -46.2458 -43.0495 8.67431 -13.3194 12.1872 47.3169 TIMING: 2272200 CPU: 6585.57, 0.002869/step Wall: 6585.57, 0.002869/step, 2.1739 hours remaining, 209.625000 MB of memory in use. ENERGY: 2272200 733.4267 2022.5780 1949.8449 121.8206 -205912.6016 17771.4196 0.0000 0.0000 34420.4272 -148893.0846 300.6022 -183313.5119 -148794.3676 300.1928 -65.7451 -34.2289 557615.9968 -5.2864 -5.3618 LDB: ============= START OF LOAD BALANCING ============== 6588.95 LDB: ============== END OF LOAD BALANCING =============== 6588.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6588.95 LDB: ============= START OF LOAD BALANCING ============== 6589.24 LDB: Largest compute 4800 load 0.023881 is 20.3% of average load 0.117898 LDB: Average compute 0.001751 is 1.5% of average load 0.117898 LDB: TIME 6589.24 LOAD: AVG 0.117898 MAX 0.178987 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.395 MB LDB: TIME 6589.24 LOAD: AVG 0.117898 MAX 0.178987 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.395 MB LDB: TIME 6589.24 LOAD: AVG 0.117898 MAX 0.178987 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.395 MB LDB: ============== END OF LOAD BALANCING =============== 6589.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6589.25 PRESSURE: 2272400 -128.032 8.3964 262.088 8.39657 -34.4412 -72.3673 262.088 -72.3682 -115.12 GPRESSURE: 2272400 -120.331 11.7679 263.378 67.563 3.61195 -134.005 221.351 -35.6654 -78.199 PRESSAVG: 2272400 -8.75944 34.0327 -44.1382 34.0328 7.70799 -21.8379 -44.1381 -21.838 3.44299 GPRESSAVG: 2272400 -7.66003 34.0536 -45.2464 33.0336 6.48512 -19.7137 -45.7507 -21.6758 2.70483 TIMING: 2272400 CPU: 6586.15, 0.00292114/step Wall: 6586.15, 0.00292114/step, 2.21325 hours remaining, 209.550781 MB of memory in use. ENERGY: 2272400 707.8851 2076.6508 1947.5311 114.5051 -205692.3782 17593.3839 0.0000 0.0000 34362.9209 -148889.5013 300.0999 -183252.4222 -148791.3238 300.0414 -92.5310 -64.9727 558404.2472 0.7972 0.5100 PRESSURE: 2272600 -156.49 11.2824 -121.842 11.2825 -36.8596 12.4287 -121.843 12.4301 18.6411 GPRESSURE: 2272600 -141.352 44.0566 -85.165 -7.20134 27.4939 -76.5107 -81.0631 51.1171 37.5398 PRESSAVG: 2272600 -13.6596 50.099 0.199636 50.0992 -23.5154 -58.6451 0.199727 -58.6451 8.94648 GPRESSAVG: 2272600 -14.8999 49.2429 -0.235797 49.6434 -21.6854 -58.9986 1.60036 -60.0556 8.61501 TIMING: 2272600 CPU: 6586.73, 0.00286967/step Wall: 6586.73, 0.00286967/step, 2.1741 hours remaining, 210.011719 MB of memory in use. ENERGY: 2272600 751.1189 2120.2136 1960.1249 120.8263 -205836.5999 17690.6870 0.0000 0.0000 34314.0643 -148879.5650 299.6733 -183193.6292 -148778.5272 300.3732 -58.2362 -25.4396 558952.7402 -9.4095 -9.3234 PRESSURE: 2272800 48.9555 -23.2351 224.728 -23.2349 -144.714 -51.2949 224.729 -51.2968 156.986 GPRESSURE: 2272800 70.4331 -27.4594 184.869 -50.6427 -125.743 -119.861 191.813 -15.3748 228 PRESSAVG: 2272800 1.01643 18.7593 -2.77692 18.7593 8.1944 -30.6987 -2.77693 -30.6988 -30.8641 GPRESSAVG: 2272800 2.38554 18.5556 -1.04297 20.1766 7.15301 -33.6415 -4.66864 -30.514 -30.4911 TIMING: 2272800 CPU: 6587.3, 0.00287085/step Wall: 6587.3, 0.00287085/step, 2.17483 hours remaining, 210.011719 MB of memory in use. ENERGY: 2272800 739.5521 2080.8778 1930.7188 112.1918 -205649.1155 17661.0053 0.0000 0.0000 34520.2748 -148604.4951 301.4741 -183124.7699 -148508.4220 300.2179 20.4091 57.5632 558580.9439 -7.2178 -6.9842 PRESSURE: 2273000 -89.5209 98.6544 53.4214 98.6548 -214.8 -20.4711 53.4207 -20.4704 -26.2306 GPRESSURE: 2273000 -35.4427 26.5725 45.6141 160.314 -201.238 -38.6049 70.4105 0.783997 11.1463 PRESSAVG: 2273000 -14.4003 -21.7071 19.1297 -21.7071 -42.0439 4.38778 19.1297 4.38778 41.9886 GPRESSAVG: 2273000 -15.7799 -23.9288 17.4013 -21.3651 -40.3743 5.6823 20.4973 4.51897 41.8354 TIMING: 2273000 CPU: 6587.88, 0.0028816/step Wall: 6587.88, 0.0028816/step, 2.18281 hours remaining, 210.011719 MB of memory in use. ENERGY: 2273000 740.6306 2064.0889 1936.2256 115.9876 -205584.9455 17456.8039 0.0000 0.0000 34523.3342 -148747.8747 301.5009 -183271.2089 -148643.8795 300.9865 -110.1839 -75.1783 558458.5185 -4.8185 -4.7729 PRESSURE: 2273200 166.845 92.6488 -30.3902 92.6493 126.189 168.443 -30.3896 168.443 227.516 GPRESSURE: 2273200 231.423 80.7153 -72.8933 6.93145 158.854 216.155 -50.4739 160.292 219.05 PRESSAVG: 2273200 14.6442 -21.9367 -32.2008 -21.9367 -86.7582 -2.17855 -32.2007 -2.17849 87.3517 GPRESSAVG: 2273200 15.1808 -18.3126 -33.6694 -24.0363 -86.6867 -2.13643 -29.9541 -3.00097 86.9474 TIMING: 2273200 CPU: 6588.45, 0.00287311/step Wall: 6588.45, 0.00287311/step, 2.17622 hours remaining, 210.011719 MB of memory in use. ENERGY: 2273200 779.0124 2098.8338 1924.1282 132.2647 -206196.8814 18245.0114 0.0000 0.0000 34279.6706 -148737.9604 299.3729 -183017.6310 -148647.2613 300.3400 173.5166 203.1089 559022.6535 5.0792 5.1472 PRESSURE: 2273400 -37.3843 98.0903 -139.015 98.0891 -156.803 46.2877 -139.014 46.2889 -187.198 GPRESSURE: 2273400 -4.75736 114.175 -30.6264 82.0029 -119.088 44.0096 -111.656 98.7679 -161.795 PRESSAVG: 2273400 -21.3992 31.5046 -34.6147 31.5047 -4.61457 -8.45511 -34.6147 -8.45509 13.0185 GPRESSAVG: 2273400 -21.8199 30.5952 -31.8982 31.2222 -4.376 -6.24694 -36.8718 -8.76372 13.5763 TIMING: 2273400 CPU: 6589.04, 0.00291045/step Wall: 6589.04, 0.00291045/step, 2.20434 hours remaining, 210.074219 MB of memory in use. ENERGY: 2273400 751.9086 2135.2886 1947.7079 113.3656 -205790.9401 17491.5488 0.0000 0.0000 34531.8343 -148819.2861 301.5751 -183351.1204 -148727.6532 300.7333 -127.1284 -95.2134 558240.7149 -4.3317 -4.2066 PRESSURE: 2273600 36.0034 70.1872 -162.46 70.1881 -80.8004 -136.278 -162.46 -136.279 -26.3072 GPRESSURE: 2273600 50.2983 -16.7508 -172.802 90.0137 -5.78904 -184.562 -64.8667 -38.121 -17.8965 PRESSAVG: 2273600 -55.1756 39.2983 -45.2605 39.2984 4.12786 0.79734 -45.2605 0.797175 42.3916 GPRESSAVG: 2273600 -55.3793 37.8297 -45.5727 42.23 4.7428 -0.0287475 -45.021 1.45976 42.4799 TIMING: 2273600 CPU: 6589.62, 0.00290017/step Wall: 6589.62, 0.00290017/step, 2.19639 hours remaining, 210.074219 MB of memory in use. ENERGY: 2273600 730.1267 2087.0060 1948.6094 109.2192 -206103.9594 17760.5811 0.0000 0.0000 34608.3636 -148860.0533 302.2434 -183468.4170 -148762.3908 300.3670 -23.7014 8.8709 557549.3803 -2.8854 -2.7188 PRESSURE: 2273800 67.6141 -35.9881 3.97472 -35.988 259.461 35.8675 3.97593 35.8671 151.213 GPRESSURE: 2273800 129.389 -50.1724 130.09 -17.9659 269.681 126.725 -109.392 36.8122 181.062 PRESSAVG: 2273800 2.98923 33.5779 -70.3375 33.578 95.786 -63.4294 -70.3375 -63.4294 -69.7693 GPRESSAVG: 2273800 5.48714 35.8421 -70.6046 31.3606 94.2102 -62.9191 -71.4929 -63.5951 -70.8396 TIMING: 2273800 CPU: 6590.19, 0.00287739/step Wall: 6590.19, 0.00287739/step, 2.17899 hours remaining, 210.074219 MB of memory in use. ENERGY: 2273800 737.1823 2065.5061 1949.4434 92.5369 -206325.2294 18003.7035 0.0000 0.0000 34435.2470 -149041.6102 300.7316 -183476.8572 -148946.5127 300.3675 159.4293 193.3775 557248.2814 9.6687 9.6192 PRESSURE: 2274000 12.9621 -15.149 278.906 -15.1481 158.297 45.4217 278.905 45.4227 237.569 GPRESSURE: 2274000 22.0163 -4.22683 280.764 27.5945 216.508 78.7985 279.964 -14.3949 250.109 PRESSAVG: 2274000 14.6586 -36.9354 -59.0397 -36.9354 11.0315 56.0113 -59.0397 56.0114 10.566 GPRESSAVG: 2274000 13.7467 -39.6694 -59.1279 -36.4487 11.077 57.1448 -56.9627 54.7613 11.6078 TIMING: 2274000 CPU: 6590.77, 0.00288892/step Wall: 6590.77, 0.00288892/step, 2.18755 hours remaining, 210.121094 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: 2274000 704.6752 2064.7329 1963.6460 117.9949 -205976.5579 17755.7013 0.0000 0.0000 34426.7228 -148943.0848 300.6571 -183369.8076 -148844.0917 299.9905 136.2761 162.8780 556144.6618 12.0854 12.1438 PRESSURE: 2274200 -36.497 114.048 5.4944 114.05 -55.7111 45.6896 5.493 45.6898 122.067 GPRESSURE: 2274200 -25.4479 107.697 -11.3639 144.231 -57.5862 78.6684 -29.1104 21.8999 201.437 PRESSAVG: 2274200 34.1775 -26.0014 -17.4593 -26.0014 -7.02523 -5.64115 -17.4593 -5.64121 -5.03982 GPRESSAVG: 2274200 33.897 -25.3493 -18.3428 -25.3866 -6.88109 -8.26419 -17.2989 -2.74913 -4.79432 TIMING: 2274200 CPU: 6591.34, 0.00288077/step Wall: 6591.34, 0.00288076/step, 2.18122 hours remaining, 210.121094 MB of memory in use. ENERGY: 2274200 736.0684 2077.2425 1935.4943 116.6747 -206136.0706 17723.2820 0.0000 0.0000 34422.5034 -149124.8054 300.6203 -183547.3088 -149020.4133 300.1817 9.9531 39.4675 556903.7838 7.3708 7.4072 PRESSURE: 2274400 -66.1974 25.2007 -99.0743 25.2012 137.36 -103.944 -99.0736 -103.943 -193.456 GPRESSURE: 2274400 -29.9807 141.748 -45.6067 33.2858 185.519 -121.713 -22.8866 -95.1952 -176.614 PRESSAVG: 2274400 13.7579 -43.3511 -20.0641 -43.3511 35.4471 23.1968 -20.0641 23.1967 -11.2294 GPRESSAVG: 2274400 13.7763 -40.5721 -21.3924 -44.2355 35.4862 23.8489 -20.0993 22.2519 -11.3414 TIMING: 2274400 CPU: 6591.92, 0.00288069/step Wall: 6591.92, 0.00288069/step, 2.181 hours remaining, 210.121094 MB of memory in use. ENERGY: 2274400 789.0098 2061.5816 1943.9464 106.0636 -206129.2843 17751.7843 0.0000 0.0000 34247.0324 -149229.8661 299.0879 -183476.8985 -149125.1654 299.2172 -40.7645 -7.0255 556256.2598 12.6585 12.6404 PRESSURE: 2274600 45.8313 12.6711 78.1021 12.6704 -225.61 88.5414 78.1013 88.5416 59.4826 GPRESSURE: 2274600 44.5345 81.2415 67.4187 -40.3047 -189.818 38.771 93.6326 81.0377 120.718 PRESSAVG: 2274600 -17.2471 24.6876 -36.4472 24.6877 27.6912 -0.586909 -36.4472 -0.586872 -4.04551 GPRESSAVG: 2274600 -18.2188 22.7853 -35.7966 26.6724 28.6937 -0.269527 -37.0314 -1.74683 -3.97238 TIMING: 2274600 CPU: 6592.5, 0.00288298/step Wall: 6592.5, 0.00288298/step, 2.18257 hours remaining, 210.121094 MB of memory in use. ENERGY: 2274600 746.1111 2070.6230 1958.2023 118.0091 -206465.9510 18012.3057 0.0000 0.0000 34318.1864 -149242.5134 299.7093 -183560.6998 -149146.3334 299.1553 -40.0988 -8.1883 558426.0705 2.1329 2.1675 PRESSURE: 2274800 -196.291 -9.71224 -12.6198 -9.71171 16.0153 40.4564 -12.6193 40.455 -263.378 GPRESSURE: 2274800 -153.286 55.4181 -80.0178 -79.55 46.1555 -5.31694 -76.3022 50.4891 -230.11 PRESSAVG: 2274800 -51.3813 -8.71966 -12.5708 -8.71966 14.6812 34.8152 -12.5709 34.8151 15.7694 GPRESSAVG: 2274800 -51.0968 -8.62422 -12.62 -11.2515 13.7105 35.7878 -13.2263 34.4858 16.9986 TIMING: 2274800 CPU: 6593.07, 0.00288464/step Wall: 6593.07, 0.00288464/step, 2.18367 hours remaining, 210.121094 MB of memory in use. ENERGY: 2274800 748.7048 2080.4137 1924.1429 108.1911 -206043.1678 17646.3931 0.0000 0.0000 34236.2675 -149299.0547 298.9938 -183535.3222 -149204.5088 298.9026 -147.8843 -112.4136 558055.9618 -6.9769 -6.7959 PRESSURE: 2275000 98.0083 190.341 25.601 190.341 228.759 -21.4625 25.6019 -21.463 24.9888 GPRESSURE: 2275000 146.241 114.35 -40.5644 125.37 288.737 9.91713 29.8941 -35.6 9.80052 PRESSAVG: 2275000 3.31301 7.18173 23.5211 7.18171 37.5744 -11.5027 23.521 -11.5027 -61.2645 GPRESSAVG: 2275000 5.34342 8.29882 24.4367 7.14212 36.8119 -12.1609 23.5177 -12.9259 -62.8762 TIMING: 2275000 CPU: 6593.65, 0.00288615/step Wall: 6593.65, 0.00288615/step, 2.18466 hours remaining, 210.121094 MB of memory in use. ENERGY: 2275000 731.8999 2100.8560 1921.2490 123.0158 -206197.0178 17858.1355 0.0000 0.0000 34158.1699 -149303.6917 298.3118 -183461.8616 -149207.2043 298.9984 117.2521 148.2598 556589.9960 -6.7924 -6.9070 PRESSURE: 2275200 -94.1378 -66.7397 71.1876 -66.7397 -290.039 -67.1092 71.1882 -67.109 224.466 GPRESSURE: 2275200 -40.834 -112.851 97.6427 12.8608 -272.431 -50.4041 46.7033 -79.0889 245.508 PRESSAVG: 2275200 -1.4621 -57.3971 -37.6824 -57.397 -17.7534 9.30726 -37.6824 9.30721 43.2477 GPRESSAVG: 2275200 -2.35629 -55.3789 -39.4072 -57.5035 -16.0883 9.05413 -36.4216 11.1716 42.7159 TIMING: 2275200 CPU: 6594.23, 0.00289458/step Wall: 6594.23, 0.00289458/step, 2.19088 hours remaining, 210.121094 MB of memory in use. ENERGY: 2275200 735.2407 2112.9628 1961.6423 115.8560 -206117.9709 17668.6184 0.0000 0.0000 34335.7421 -149187.9086 299.8626 -183523.6507 -149095.5315 299.1016 -53.2370 -22.5856 557702.4323 8.0107 8.0904 PRESSURE: 2275400 -295.406 -195.194 -96.5196 -195.195 -293.963 4.73787 -96.5197 4.73839 -6.67587 GPRESSURE: 2275400 -270.944 -219.725 -125.226 -219.771 -187.42 -37.432 -116.946 48.8354 -42.7314 PRESSAVG: 2275400 10.5734 -22.7768 -27.4407 -22.7767 -21.8648 11.1567 -27.4407 11.1567 32.8953 GPRESSAVG: 2275400 11.2627 -24.7676 -26.2511 -22.5771 -22.7463 11.3477 -27.7084 11.7709 33.3196 TIMING: 2275400 CPU: 6594.8, 0.00286923/step Wall: 6594.8, 0.00286923/step, 2.17153 hours remaining, 210.121094 MB of memory in use. ENERGY: 2275400 768.8975 2095.6530 1921.2805 118.4904 -205945.2692 17618.7041 0.0000 0.0000 34128.1270 -149294.1167 298.0494 -183422.2437 -149196.0017 299.1148 -198.6817 -167.0318 558006.9388 7.2013 7.2787 PRESSURE: 2275600 260.08 -150.505 -131.82 -150.504 -152.896 -86.3144 -131.82 -86.313 136.156 GPRESSURE: 2275600 268.137 -137.038 -139.611 -196.986 -89.7028 -53.4024 -79.2727 -9.51299 167.498 PRESSAVG: 2275600 -14.0998 2.41644 13.7279 2.41641 -28.7691 7.00611 13.7279 7.00617 107.93 GPRESSAVG: 2275600 -13.7166 0.424195 13.3705 2.40615 -28.9378 8.33598 13.0659 7.40969 108.155 TIMING: 2275600 CPU: 6595.38, 0.00286324/step Wall: 6595.38, 0.00286324/step, 2.16683 hours remaining, 210.121094 MB of memory in use. ENERGY: 2275600 726.6878 2086.5886 1953.9594 118.0484 -206461.3524 17977.1904 0.0000 0.0000 34266.1647 -149332.7130 299.2549 -183598.8777 -149234.6558 299.0343 81.1135 115.3106 557328.5392 21.6869 21.8336 PRESSURE: 2275800 -328.875 -73.9909 -135.99 -73.9903 -236.421 -28.8235 -135.991 -28.8239 -309.67 GPRESSURE: 2275800 -229.176 -117.424 -210.217 -36.1909 -273.702 -26.7984 -90.1957 -44.374 -266.452 PRESSAVG: 2275800 -2.92101 -26.7883 3.39918 -26.7882 -33.5429 14.6245 3.39921 14.6245 65.4837 GPRESSAVG: 2275800 -3.45998 -25.1099 3.67343 -26.3874 -33.8579 13.623 3.93386 13.7481 66.6105 TIMING: 2275800 CPU: 6595.95, 0.00286879/step Wall: 6595.95, 0.00286879/step, 2.17087 hours remaining, 210.121094 MB of memory in use. ENERGY: 2275800 768.0672 2100.1106 1953.0539 120.4787 -205689.5911 17451.5469 0.0000 0.0000 34074.0055 -149222.3282 297.5768 -183296.3338 -149124.8107 298.5945 -291.6556 -256.4430 557876.5667 9.6732 9.7642 PRESSURE: 2276000 -203.041 -57.4979 27.9906 -57.4981 -166.99 -68.9356 27.991 -68.9346 182.808 GPRESSURE: 2276000 -188.01 -77.8141 16.3207 -57.9069 -94.2647 -127.852 34.7657 -19.3367 199.846 PRESSAVG: 2276000 -42.036 -54.0867 28.876 -54.0866 -27.397 12.7519 28.8761 12.752 28.3947 GPRESSAVG: 2276000 -42.4635 -56.061 31.6596 -54.0661 -25.5267 11.4577 26.2624 14.7169 27.3179 TIMING: 2276000 CPU: 6596.53, 0.00287435/step Wall: 6596.53, 0.00287435/step, 2.17492 hours remaining, 210.121094 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: 2276000 756.4401 2082.8454 1951.7080 96.3261 -206286.9841 17930.2598 0.0000 0.0000 34379.5858 -149089.8189 300.2455 -183469.4047 -148989.6350 298.9949 -62.4078 -27.4764 557588.4572 -13.6794 -13.5574 PRESSURE: 2276200 -45.5983 -71.3571 -44.6581 -71.3569 -130.91 168.071 -44.6589 168.072 -142.358 GPRESSURE: 2276200 29.1866 -86.6249 -21.5766 -79.5374 -179.573 162.995 -43.4371 141.498 -86.7646 PRESSAVG: 2276200 35.4469 -21.177 -4.58698 -21.177 4.53567 12.9591 -4.58694 12.9592 -34.153 GPRESSAVG: 2276200 35.7175 -20.0259 -8.57996 -20.07 3.7867 13.1616 -4.17612 12.3333 -33.8101 TIMING: 2276200 CPU: 6597.1, 0.00288778/step Wall: 6597.1, 0.00288778/step, 2.18493 hours remaining, 210.121094 MB of memory in use. ENERGY: 2276200 760.9038 2104.2023 1940.5159 115.1856 -205791.9450 17802.7294 0.0000 0.0000 34232.9435 -148835.4645 298.9648 -183068.4080 -148739.9951 300.0988 -106.2890 -79.0505 558510.8988 1.9432 1.8980 LDB: ============= START OF LOAD BALANCING ============== 6600.49 LDB: ============== END OF LOAD BALANCING =============== 6600.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6600.49 LDB: ============= START OF LOAD BALANCING ============== 6600.78 LDB: Largest compute 4820 load 0.023137 is 19.6% of average load 0.117842 LDB: Average compute 0.001750 is 1.5% of average load 0.117842 LDB: TIME 6600.78 LOAD: AVG 0.117842 MAX 0.179842 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.918 MB LDB: TIME 6600.78 LOAD: AVG 0.117842 MAX 0.179842 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.121 MB LDB: TIME 6600.78 LOAD: AVG 0.117842 MAX 0.179842 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.121 MB LDB: ============== END OF LOAD BALANCING =============== 6600.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6600.79 PRESSURE: 2276400 1.32691 -247.568 -132.592 -247.568 -163.649 31.3184 -132.591 31.3199 -270.318 GPRESSURE: 2276400 32.0321 -196.518 -82.197 -254.577 -137.232 -67.7757 -95.4455 11.3715 -218.963 PRESSAVG: 2276400 2.74664 -37.8644 -28.4945 -37.8644 29.0671 27.0193 -28.4944 27.0193 -13.7605 GPRESSAVG: 2276400 2.59465 -37.5676 -27.0308 -39.4809 28.9367 28.9179 -28.4721 26.0198 -13.6051 TIMING: 2276400 CPU: 6597.69, 0.00294354/step Wall: 6597.69, 0.00294354/step, 2.22695 hours remaining, 208.675781 MB of memory in use. ENERGY: 2276400 750.2390 2079.3992 1922.6346 116.4451 -205993.8550 17670.9899 0.0000 0.0000 34570.3743 -148883.7730 301.9117 -183454.1473 -148793.0655 300.0328 -144.2132 -108.0543 556952.7938 6.0178 5.9754 PRESSURE: 2276600 78.5303 -133.766 188.964 -133.766 144.821 -78.1406 188.963 -78.142 177.989 GPRESSURE: 2276600 68.1214 -172.628 156.712 -170.697 249.777 -70.7882 168.911 -100.482 178.628 PRESSAVG: 2276600 48.7394 -18.2493 10.9659 -18.2494 10.041 -32.4755 10.9659 -32.4755 -75.4532 GPRESSAVG: 2276600 49.128 -18.84 10.7566 -16.2962 10.4588 -35.6035 11.9628 -32.7275 -75.5092 TIMING: 2276600 CPU: 6598.26, 0.00285787/step Wall: 6598.26, 0.00285787/step, 2.16197 hours remaining, 208.933594 MB of memory in use. ENERGY: 2276600 764.0716 2083.0968 1935.2015 117.2058 -206003.3221 17947.7730 0.0000 0.0000 34392.1970 -148763.7763 300.3556 -183155.9734 -148663.8785 300.6560 133.7801 165.5089 556661.5975 -5.5576 -5.3075 PRESSURE: 2276800 -82.9609 27.6431 29.1215 27.6432 285.119 111.901 29.121 111.901 -76.9751 GPRESSURE: 2276800 -64.2833 35.2141 -54.3518 72.4633 322.704 84.6188 93.0994 77.0693 -36.6563 PRESSAVG: 2276800 -30.6994 34.8089 -50.1417 34.809 24.9006 69.6626 -50.1417 69.6626 -17.5886 GPRESSAVG: 2276800 -30.8202 34.9527 -50.0964 33.5878 25.7277 72.615 -49.165 70.5079 -17.8038 TIMING: 2276800 CPU: 6598.83, 0.00284936/step Wall: 6598.83, 0.00284936/step, 2.15538 hours remaining, 208.996094 MB of memory in use. ENERGY: 2276800 733.5936 2089.0092 1944.4016 123.0838 -206161.5009 17950.2417 0.0000 0.0000 34380.9993 -148940.1717 300.2578 -183321.1711 -148838.2074 299.7616 41.7277 73.9215 557164.5153 -7.7958 -7.6321 PRESSURE: 2277000 118.55 14.8375 -20.5547 14.8377 -45.5823 35.7346 -20.5549 35.7335 -6.6449 GPRESSURE: 2277000 181.646 -59.6437 -59.3403 108.551 -54.671 41.1857 -31.0489 43.4047 39.9093 PRESSAVG: 2277000 5.9163 26.599 -44.25 26.599 47.1302 53.8166 -44.2499 53.8168 -45.9619 GPRESSAVG: 2277000 5.36121 26.4366 -43.327 25.1363 46.6509 52.8394 -46.6533 55.2118 -45.347 TIMING: 2277000 CPU: 6599.41, 0.00285955/step Wall: 6599.41, 0.00285955/step, 2.16293 hours remaining, 208.996094 MB of memory in use. ENERGY: 2277000 728.6764 2132.4716 1945.0170 121.3234 -205559.5997 17505.4360 0.0000 0.0000 34311.7150 -148814.9603 299.6527 -183126.6753 -148721.3280 300.4245 22.1077 55.6280 557347.4680 2.3615 2.2217 PRESSURE: 2277200 -328.863 56.8058 -34.0715 56.8066 40.1816 -62.9477 -34.0722 -62.9481 -208.899 GPRESSURE: 2277200 -274.873 59.886 -18.5938 95.5491 74.3366 -0.445098 -39.5484 -43.0513 -194.091 PRESSAVG: 2277200 -10.1334 1.12007 -39.5302 1.11995 -12.27 8.18934 -39.5303 8.18933 31.8773 GPRESSAVG: 2277200 -9.41085 2.21172 -38.8371 0.769201 -12.7409 9.44271 -38.6501 7.16846 31.7582 TIMING: 2277200 CPU: 6599.98, 0.00286384/step Wall: 6599.98, 0.00286384/step, 2.16601 hours remaining, 208.996094 MB of memory in use. ENERGY: 2277200 767.6155 2080.1293 1982.5985 120.3837 -205433.5988 17493.3027 0.0000 0.0000 34224.8699 -148764.6991 298.8943 -182989.5690 -148668.4002 300.9604 -165.8600 -131.5425 558300.1934 3.1580 3.2022 PRESSURE: 2277400 -149.824 165.839 -28.3466 165.84 -236.355 128.129 -28.3462 128.129 -26.7519 GPRESSURE: 2277400 -122.214 208.558 11.116 79.8511 -146.679 119.879 -65.4944 87.4029 -37.8745 PRESSAVG: 2277400 5.6395 -26.9785 -29.361 -26.9785 23.0478 11.4995 -29.361 11.4996 -3.91832 GPRESSAVG: 2277400 5.77009 -28.1614 -30.6247 -26.139 23.4941 8.41223 -30.2577 12.112 -3.61101 TIMING: 2277400 CPU: 6600.55, 0.0028733/step Wall: 6600.55, 0.0028733/step, 2.17301 hours remaining, 208.996094 MB of memory in use. ENERGY: 2277400 748.0602 2097.3250 1932.9974 117.8803 -205591.5815 17492.9546 0.0000 0.0000 34429.6405 -148772.7234 300.6826 -183202.3639 -148674.3499 300.2874 -137.6439 -102.2557 557989.5056 8.2563 8.5511 PRESSURE: 2277600 301.641 -30.2494 -67.5574 -30.2496 -116.893 43.8256 -67.5575 43.8257 321.328 GPRESSURE: 2277600 345.426 -31.2146 -92.1386 15.0876 -96.39 86.4577 -36.2385 -30.5454 337.051 PRESSAVG: 2277600 -33.5591 -3.40295 6.88952 -3.40305 -33.5911 14.315 6.88953 14.3151 99.0533 GPRESSAVG: 2277600 -35.0941 -2.50065 8.16131 -3.21092 -33.0113 16.2409 7.50786 13.2414 99.8964 TIMING: 2277600 CPU: 6601.13, 0.00287164/step Wall: 6601.13, 0.00287164/step, 2.17159 hours remaining, 208.996094 MB of memory in use. ENERGY: 2277600 734.9938 2104.1879 1938.9389 111.0357 -206047.7210 17850.9267 0.0000 0.0000 34419.4658 -148888.1722 300.5938 -183307.6380 -148786.7780 301.1260 168.6916 195.3623 557106.5785 10.6344 10.5970 PRESSURE: 2277800 -234.719 -125.501 -83.9768 -125.5 -163.88 29.6628 -83.9766 29.6641 -121.115 GPRESSURE: 2277800 -189.902 -169.049 -39.2401 -60.0048 -136.564 -1.68625 -37.8345 55.6748 -88.6549 PRESSAVG: 2277800 -1.79354 -16.2286 1.23603 -16.2286 -21.9508 -12.0219 1.23618 -12.022 40.6415 GPRESSAVG: 2277800 0.199372 -16.8529 -0.971026 -16.4781 -23.1391 -11.0689 1.92308 -11.0757 39.5327 TIMING: 2277800 CPU: 6601.7, 0.00287914/step Wall: 6601.7, 0.00287914/step, 2.17711 hours remaining, 208.996094 MB of memory in use. ENERGY: 2277800 699.1046 2084.5073 1914.1038 122.1534 -205838.3475 17572.4427 0.0000 0.0000 34521.8852 -148924.1504 301.4882 -183446.0357 -148823.1361 301.0824 -173.2380 -138.3736 558217.9271 5.6324 5.5310 PRESSURE: 2278000 -189.438 81.3531 -105.155 81.3536 86.8978 -44.1899 -105.155 -44.188 -27.4423 GPRESSURE: 2278000 -86.1272 122.617 -61.173 100.485 92.1793 -52.2979 -223.323 -116.017 -36.7017 PRESSAVG: 2278000 -13.8803 39.6208 5.93096 39.6209 -15.6885 -16.0291 5.93092 -16.0291 78.5845 GPRESSAVG: 2278000 -14.1967 43.3097 6.63219 37.9441 -15.4007 -16.5065 5.09535 -16.2904 78.9232 TIMING: 2278000 CPU: 6602.28, 0.00290648/step Wall: 6602.28, 0.00290648/step, 2.19762 hours remaining, 208.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2278000 745.1515 2075.0042 1950.0050 99.8499 -206260.3877 17830.5542 0.0000 0.0000 34724.0691 -148835.7538 303.2539 -183559.8229 -148733.9094 300.5921 -43.3276 -10.2165 557175.0369 16.3385 16.4419 PRESSURE: 2278200 -57.8054 -36.1775 102.527 -36.1782 299.035 83.2563 102.528 83.2558 129.592 GPRESSURE: 2278200 2.92524 -96.2292 97.8339 6.90797 311.536 139.11 68.1704 51.1732 167.578 PRESSAVG: 2278200 -106.658 24.963 26.8985 24.9629 40.8776 -75.0917 26.8985 -75.0918 39.7307 GPRESSAVG: 2278200 -106.683 21.6092 27.8299 26.7594 40.8017 -75.5145 27.3739 -74.3879 39.9501 TIMING: 2278200 CPU: 6602.86, 0.0028806/step Wall: 6602.86, 0.0028806/step, 2.1779 hours remaining, 208.996094 MB of memory in use. ENERGY: 2278200 738.8030 2108.3626 1961.5473 110.7635 -206397.4961 18136.4099 0.0000 0.0000 34504.8987 -148836.7111 301.3399 -183341.6098 -148744.0627 300.2701 123.6072 160.6798 557961.8243 -8.6833 -8.6439 PRESSURE: 2278400 -40.4005 66.5884 -27.8067 66.5856 161.398 -148.121 -27.8084 -148.12 -120.325 GPRESSURE: 2278400 -0.086167 90.6113 -59.1137 104.886 137.823 -169.395 -10.4772 -83.0781 -41.4493 PRESSAVG: 2278400 -18.5643 25.3955 9.24679 25.3954 58.4124 -35.8293 9.24668 -35.8293 -35.6446 GPRESSAVG: 2278400 -18.7552 26.482 10.5682 23.9975 58.9332 -35.4486 9.10779 -35.5207 -36.7123 TIMING: 2278400 CPU: 6603.44, 0.00290146/step Wall: 6603.44, 0.00290146/step, 2.1935 hours remaining, 208.996094 MB of memory in use. ENERGY: 2278400 792.8998 2064.0244 1991.3911 114.8571 -205728.2233 17787.5484 0.0000 0.0000 34151.9221 -148825.5804 298.2572 -182977.5024 -148734.1541 300.5948 0.2244 32.0957 558412.3202 1.4012 1.1552 PRESSURE: 2278600 -288.014 192.15 30.5777 192.151 -64.0307 -206.967 30.5783 -206.968 -227.73 GPRESSURE: 2278600 -248.952 199.469 14.5058 102.046 -23.931 -246.306 109.546 -192.455 -220.61 PRESSAVG: 2278600 -45.0349 -0.307504 -20.1065 -0.307554 32.7917 -49.6505 -20.1065 -49.6505 2.55232 GPRESSAVG: 2278600 -44.7534 -0.0148781 -22.2533 -0.858788 32.0313 -52.1191 -18.1724 -49.6062 2.91253 TIMING: 2278600 CPU: 6604.02, 0.00289545/step Wall: 6604.02, 0.00289545/step, 2.1888 hours remaining, 208.996094 MB of memory in use. ENERGY: 2278600 763.5744 2146.5486 1943.4629 108.6210 -205832.0501 17589.2143 0.0000 0.0000 34317.9300 -148962.6988 299.7070 -183280.6288 -148859.5630 299.4774 -193.2583 -164.4974 557889.5895 -3.2303 -3.2698 PRESSURE: 2278800 6.99923 -126.504 25.5855 -126.503 101.333 58.0742 25.5862 58.0752 -70.5604 GPRESSURE: 2278800 35.7871 -98.4092 62.0005 -202.458 125.345 160.752 71.4704 -12.8194 -35.6876 PRESSAVG: 2278800 7.53317 -5.32868 11.6176 -5.32861 58.2639 -11.8988 11.6176 -11.8988 -40.8415 GPRESSAVG: 2278800 6.03622 -7.35121 12.5563 -2.90656 59.1749 -9.90335 10.5591 -12.8935 -40.2836 TIMING: 2278800 CPU: 6604.6, 0.00288567/step Wall: 6604.6, 0.00288567/step, 2.18125 hours remaining, 208.996094 MB of memory in use. ENERGY: 2278800 699.2537 2063.5027 1970.7137 121.4695 -205923.8570 17636.9729 0.0000 0.0000 34390.9811 -149040.9635 300.3450 -183431.9446 -148940.4826 300.5554 12.5907 41.8147 556356.1941 8.3185 8.3091 PRESSURE: 2279000 -4.75128 5.08816 54.5958 5.0891 -129.161 -71.1246 54.596 -71.1244 -29.3214 GPRESSURE: 2279000 -8.3539 90.5036 -45.9325 -14.6785 -86.3993 -125.286 74.6935 -69.6753 21.8862 PRESSAVG: 2279000 1.32477 -7.78932 22.889 -7.78925 60.0114 -49.3268 22.889 -49.3268 -65.068 GPRESSAVG: 2279000 2.3359 -6.91538 22.5143 -8.48808 59.1216 -50.3653 22.3621 -49.5442 -65.3244 TIMING: 2279000 CPU: 6605.17, 0.00288642/step Wall: 6605.17, 0.00288642/step, 2.18165 hours remaining, 208.996094 MB of memory in use. ENERGY: 2279000 715.7058 2060.9865 1972.5526 111.2515 -205641.2628 17578.4033 0.0000 0.0000 34257.7800 -148944.5831 299.1817 -183202.3631 -148847.4592 299.9562 -54.4113 -24.2890 558303.5309 -1.2439 -1.2890 PRESSURE: 2279200 -362.566 -64.8102 -46.2465 -64.8107 126.444 -12.2791 -46.2477 -12.2779 -115.417 GPRESSURE: 2279200 -299.616 -17.129 -142.403 -68.9769 130.155 -50.1137 -62.967 43.0792 -90.2252 PRESSAVG: 2279200 10.5484 -53.7016 12.8226 -53.7015 34.3263 -57.2338 12.8226 -57.2339 -27.4659 GPRESSAVG: 2279200 9.96794 -52.2317 12.9401 -55.7099 34.4093 -57.5698 11.2245 -56.0365 -26.8811 TIMING: 2279200 CPU: 6605.75, 0.00286663/step Wall: 6605.75, 0.00286663/step, 2.16653 hours remaining, 208.996094 MB of memory in use. ENERGY: 2279200 798.7539 2101.0053 1943.4363 109.7205 -206177.2577 17839.8096 0.0000 0.0000 34408.4398 -148976.0922 300.4975 -183384.5320 -148884.4105 300.5953 -117.1795 -86.5621 557787.7398 5.8030 5.8321 PRESSURE: 2279400 24.6396 -66.8746 -92.7068 -66.8749 153.367 -114.562 -92.7071 -114.562 212.601 GPRESSURE: 2279400 95.7973 17.2135 -119.047 -129.898 190.035 -41.8554 -103.024 -153.102 206.977 PRESSAVG: 2279400 -32.9623 10.9148 50.5115 10.9149 31.3716 -53.989 50.5114 -53.989 14.8821 GPRESSAVG: 2279400 -32.9915 11.0016 52.7945 12.1754 32.058 -53.3066 49.9894 -55.168 14.5709 TIMING: 2279400 CPU: 6606.32, 0.00286242/step Wall: 6606.32, 0.00286242/step, 2.1632 hours remaining, 208.996094 MB of memory in use. ENERGY: 2279400 778.6261 2065.8026 1932.1706 113.5817 -206303.3827 18165.4125 0.0000 0.0000 34081.7555 -149166.0337 297.6444 -183247.7892 -149071.4898 300.0203 130.2023 164.2698 557768.0971 4.4305 4.5458 PRESSURE: 2279600 118.728 73.5438 -9.83197 73.544 79.1411 -71.3453 -9.83349 -71.3442 -5.81041 GPRESSURE: 2279600 170.395 192.281 -25.0076 -39.6126 120.183 -62.4529 -66.8591 -137.297 8.65475 PRESSAVG: 2279600 -29.6147 20.0836 -8.12147 20.0836 2.83826 -15.6304 -8.12153 -15.6304 11.1037 GPRESSAVG: 2279600 -30.6874 18.9935 -10.2795 18.7822 2.7423 -17.4335 -5.55917 -14.1343 12.1519 TIMING: 2279600 CPU: 6606.89, 0.00286562/step Wall: 6606.89, 0.00286563/step, 2.16546 hours remaining, 208.996094 MB of memory in use. ENERGY: 2279600 736.1570 2041.2506 1978.8766 120.9651 -206416.5918 17922.4470 0.0000 0.0000 34469.2404 -149147.6550 301.0284 -183616.8954 -149050.6551 300.5999 64.0195 99.7441 557769.7231 -5.2242 -5.2644 PRESSURE: 2279800 -243.619 57.743 -113.482 57.7423 76.378 -97.258 -113.482 -97.2589 12.4929 GPRESSURE: 2279800 -254.494 100.329 -48.838 4.82209 134.058 -128.487 -75.3076 -93.2448 67.8207 PRESSAVG: 2279800 -55.7636 -15.9296 5.46436 -15.9296 22.063 -42.1675 5.46427 -42.1676 63.0702 GPRESSAVG: 2279800 -56.0075 -13.8152 3.81713 -16.7259 22.8212 -41.9228 7.41434 -41.5802 62.9059 TIMING: 2279800 CPU: 6607.47, 0.00289756/step Wall: 6607.47, 0.00289756/step, 2.18943 hours remaining, 208.996094 MB of memory in use. ENERGY: 2279800 747.3285 2064.5314 1935.9353 122.7117 -206258.6202 17877.9100 0.0000 0.0000 34449.0239 -149061.1792 300.8519 -183510.2031 -148966.7805 299.6751 -51.5826 -17.5385 557735.6721 9.7899 9.9065 PRESSURE: 2280000 -29.3031 -54.8422 -115.04 -54.8433 30.1657 -97.3581 -115.04 -97.3577 22.6186 GPRESSURE: 2280000 29.366 -19.0974 -121.057 -50.6248 14.6156 -132.233 -102.715 -59.0015 89.5265 PRESSAVG: 2280000 -31.089 -24.4601 -14.3365 -24.4601 -43.8078 11.4852 -14.3366 11.4852 44.5229 GPRESSAVG: 2280000 -30.6188 -26.4925 -12.3786 -23.568 -44.9183 13.4451 -15.9646 10.0937 45.3342 TIMING: 2280000 CPU: 6608.05, 0.00287681/step Wall: 6608.05, 0.00287681/step, 2.17359 hours remaining, 208.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2280000 738.6459 2106.7737 1949.9864 106.7643 -205879.3819 17602.5762 0.0000 0.0000 34353.0405 -149021.5949 300.0136 -183374.6354 -148926.2167 300.2784 7.8271 44.5027 556781.1695 -10.1246 -10.0676 PRESSURE: 2280200 -40.0168 -82.846 -76.3981 -82.8468 -190.127 -42.6559 -76.3986 -42.6547 21.4141 GPRESSURE: 2280200 -8.77489 -75.0983 -131.621 -53.6896 -188.996 -78.199 -9.55134 -4.23975 80.6026 PRESSAVG: 2280200 -45.5466 -12.9876 -17.679 -12.9876 -5.24754 -12.0572 -17.6791 -12.0573 76.522 GPRESSAVG: 2280200 -44.6216 -14.5838 -18.458 -12.1441 -5.21897 -12.309 -20.3527 -10.6768 75.8606 TIMING: 2280200 CPU: 6608.62, 0.00288352/step Wall: 6608.62, 0.00288352/step, 2.1785 hours remaining, 208.996094 MB of memory in use. ENERGY: 2280200 765.8623 2096.6284 1943.3156 114.6562 -206141.5606 17794.1974 0.0000 0.0000 34290.0754 -149136.8252 299.4638 -183426.9006 -149036.3830 299.9473 -69.5764 -39.0562 557100.3549 8.5760 8.6733 LDB: ============= START OF LOAD BALANCING ============== 6612.01 LDB: ============== END OF LOAD BALANCING =============== 6612.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6612.01 LDB: ============= START OF LOAD BALANCING ============== 6612.3 LDB: Largest compute 4820 load 0.023775 is 20.2% of average load 0.117857 LDB: Average compute 0.001749 is 1.5% of average load 0.117857 LDB: TIME 6612.3 LOAD: AVG 0.117857 MAX 0.180374 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.191 MB LDB: TIME 6612.3 LOAD: AVG 0.117857 MAX 0.180374 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.191 MB LDB: TIME 6612.3 LOAD: AVG 0.117857 MAX 0.180374 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6612.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6612.31 PRESSURE: 2280400 -59.3933 1.05194 -107.201 1.05258 19.4403 -76.7086 -107.201 -76.7103 127.234 GPRESSURE: 2280400 0.556324 3.26705 -46.5541 -1.56413 42.5437 -109.769 -118.369 -48.6548 154.837 PRESSAVG: 2280400 9.07978 -13.231 -32.2478 -13.2309 -32.7434 22.9777 -32.2477 22.9778 23.1967 GPRESSAVG: 2280400 8.24427 -12.1552 -33.722 -11.0674 -32.6384 23.9081 -30.5587 21.7368 23.7373 TIMING: 2280400 CPU: 6609.21, 0.00293975/step Wall: 6609.21, 0.00293975/step, 2.22082 hours remaining, 208.156250 MB of memory in use. ENERGY: 2280400 733.6714 2143.6972 1966.8921 107.4241 -206060.3866 17761.4167 0.0000 0.0000 34235.1565 -149112.1286 298.9841 -183347.2851 -149020.5664 299.4291 29.0936 65.9789 556341.6348 -0.1556 -0.2190 PRESSURE: 2280600 126.286 -38.1584 34.2338 -38.1578 -6.04613 -156.18 34.2328 -156.18 305.852 GPRESSURE: 2280600 148.534 -83.6259 24.9512 -63.4724 21.7852 -141.664 83.4513 -166.183 359.522 PRESSAVG: 2280600 -37.4397 50.119 -27.4116 50.119 15.0044 3.98228 -27.4115 3.98235 -7.84699 GPRESSAVG: 2280600 -35.8657 50.4119 -25.713 47.9506 14.3772 2.21532 -26.863 3.92544 -8.85818 TIMING: 2280600 CPU: 6609.79, 0.00287962/step Wall: 6609.79, 0.00287962/step, 2.17523 hours remaining, 208.156250 MB of memory in use. ENERGY: 2280600 764.9941 2121.3432 1945.3222 110.8280 -206385.4955 18105.4438 0.0000 0.0000 34223.8316 -149113.7326 298.8852 -183337.5642 -149025.0702 299.3514 142.0307 176.6139 557116.7030 -10.0941 -10.1155 PRESSURE: 2280800 -205.632 -4.79592 78.3749 -4.79679 90.9867 -9.60574 78.3748 -9.60618 -30.0176 GPRESSURE: 2280800 -120.108 -36.2791 48.8328 -98.3233 77.1583 -42.2106 47.978 -7.29318 -3.70486 PRESSAVG: 2280800 -11.9802 66.0959 13.9959 66.0957 23.0132 -7.95521 13.9959 -7.95511 26.5287 GPRESSAVG: 2280800 -13.7259 66.5933 12.9361 66.9497 23.2422 -7.48565 13.8956 -8.90225 27.6938 TIMING: 2280800 CPU: 6610.36, 0.00287994/step Wall: 6610.36, 0.00287994/step, 2.17532 hours remaining, 208.156250 MB of memory in use. ENERGY: 2280800 754.9040 2053.5711 1935.5509 107.5654 -205958.5617 17725.2610 0.0000 0.0000 34384.5630 -148997.1463 300.2889 -183381.7093 -148903.2310 299.5772 -48.2209 -15.5517 557793.2902 12.5206 12.4034 PRESSURE: 2281000 -135.03 -68.1567 109.023 -68.1562 33.7912 3.59624 109.021 3.59488 -13.5516 GPRESSURE: 2281000 -91.3968 -1.40394 146.836 -96.8953 94.6209 15.8672 65.2339 11.7329 -26.5249 PRESSAVG: 2281000 14.0485 3.86136 0.154393 3.86137 -60.4651 -1.85369 0.154393 -1.85385 61.5827 GPRESSAVG: 2281000 13.8514 6.04735 1.04261 1.55477 -59.2895 -0.315942 -0.6286 -0.955877 60.7958 TIMING: 2281000 CPU: 6610.94, 0.00287117/step Wall: 6610.94, 0.00287117/step, 2.16853 hours remaining, 208.156250 MB of memory in use. ENERGY: 2281000 756.2211 2086.3233 1957.1684 108.8354 -205795.8920 17611.6434 0.0000 0.0000 34391.9408 -148883.7596 300.3534 -183275.7004 -148786.6114 299.8698 -38.2635 -7.7669 558315.0135 5.0554 5.1192 PRESSURE: 2281200 48.2426 106.912 -214.684 106.911 84.251 -13.3777 -214.684 -13.3776 -176.678 GPRESSURE: 2281200 17.2441 119.982 -85.8177 101.771 83.7468 -60.7586 -209.576 94.7916 -43.1004 PRESSAVG: 2281200 10.5093 -8.21859 -18.7894 -8.21855 12.3445 -10.2061 -18.7894 -10.2061 -43.7407 GPRESSAVG: 2281200 9.62359 -10.2745 -19.6784 -7.38013 12.3192 -11.8062 -19.1493 -9.19786 -42.8079 TIMING: 2281200 CPU: 6611.51, 0.0028584/step Wall: 6611.51, 0.0028584/step, 2.15873 hours remaining, 208.156250 MB of memory in use. ENERGY: 2281200 723.8969 2132.5347 1960.2840 116.5318 -205984.4149 17716.4103 0.0000 0.0000 34490.7405 -148844.0167 301.2162 -183334.7572 -148751.4718 300.4047 -14.7280 19.2968 558049.4117 -6.9623 -6.9550 PRESSURE: 2281400 -167.676 -57.9484 -176.826 -57.9484 51.1934 88.1466 -176.826 88.1464 -5.21934 GPRESSURE: 2281400 -157.739 -76.2022 -180.499 -140.529 73.9152 64.0644 -151.925 34.3199 52.2158 PRESSAVG: 2281400 -14.4572 27.3618 -39.2169 27.3617 16.8586 22.8748 -39.2169 22.8748 14.2076 GPRESSAVG: 2281400 -13.4525 24.0654 -39.5714 27.0883 16.8378 21.9218 -37.4549 21.5761 13.7236 TIMING: 2281400 CPU: 6612.09, 0.0028802/step Wall: 6612.09, 0.0028802/step, 2.17503 hours remaining, 208.156250 MB of memory in use. ENERGY: 2281400 758.2898 2058.0943 1932.5486 121.2576 -205879.5053 17855.8157 0.0000 0.0000 34154.9270 -148998.5722 298.2835 -183153.4992 -148897.3783 300.6518 -40.5674 -10.5361 558207.3987 5.5363 5.7030 PRESSURE: 2281600 -17.2024 75.0092 -153.332 75.0093 150.565 94.416 -153.33 94.4162 121.239 GPRESSURE: 2281600 0.643981 73.4968 -250.626 106.611 205.137 0.347903 -113.946 74.2796 136.323 PRESSAVG: 2281600 -16.0745 -3.47937 -2.9163 -3.47937 33.7951 -2.636 -2.9162 -2.63606 -46.5553 GPRESSAVG: 2281600 -16.6643 0.123999 -2.53983 -2.29581 34.2962 -2.68056 -4.03028 -2.12647 -46.7724 TIMING: 2281600 CPU: 6612.66, 0.00288214/step Wall: 6612.66, 0.00288214/step, 2.17633 hours remaining, 208.156250 MB of memory in use. ENERGY: 2281600 772.1280 2137.3135 1921.9579 105.6703 -206342.4176 17966.2513 0.0000 0.0000 34398.6236 -149040.4731 300.4117 -183439.0967 -148938.3404 299.6292 84.8671 114.0347 557003.0912 -9.6116 -9.7135 PRESSURE: 2281800 -154.131 -102.075 41.7169 -102.076 -251.42 -19.7467 41.7165 -19.7462 -112.274 GPRESSURE: 2281800 -140.148 -85.6376 5.42891 -114.319 -206.89 -95.8853 41.164 20.0706 -78.0112 PRESSAVG: 2281800 -35.1397 -33.3861 -45.3305 -33.3861 -0.748111 5.02362 -45.3305 5.02361 19.4983 GPRESSAVG: 2281800 -35.2172 -32.7367 -45.2083 -33.5516 -1.43816 5.14041 -45.1847 7.22174 20.1356 TIMING: 2281800 CPU: 6613.24, 0.00289423/step Wall: 6613.24, 0.00289423/step, 2.1853 hours remaining, 208.156250 MB of memory in use. ENERGY: 2281800 726.2294 2092.0434 1954.3503 101.3647 -205483.4569 17417.5228 0.0000 0.0000 34241.5657 -148950.3805 299.0401 -183191.9462 -148854.7520 299.9012 -172.6084 -141.6834 559166.7219 -5.4632 -5.5066 PRESSURE: 2282000 -87.8196 -59.4603 0.822779 -59.4604 370.154 -39.5929 0.823389 -39.5921 111.239 GPRESSURE: 2282000 -14.7647 -68.0316 74.5258 -80.3237 402.127 -22.1874 -95.4818 -108.372 94.3646 PRESSAVG: 2282000 -24.8606 -28.4793 16.6821 -28.4793 64.3383 9.13347 16.6821 9.13348 35.8232 GPRESSAVG: 2282000 -23.1053 -29.0556 14.9645 -28.2609 64.1686 11.9278 15.8894 7.54421 34.0759 TIMING: 2282000 CPU: 6613.82, 0.00288654/step Wall: 6613.82, 0.00288654/step, 2.17934 hours remaining, 208.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2282000 735.8673 2043.2979 1973.8650 119.0203 -206634.9740 18115.6863 0.0000 0.0000 34635.0713 -149012.1660 302.4767 -183647.2373 -148905.2442 299.9744 131.1910 160.5756 557244.9533 25.1003 25.0464 PRESSURE: 2282200 64.4096 -110.139 210.818 -110.14 -199.244 -47.8939 210.817 -47.8934 3.14098 GPRESSURE: 2282200 96.5469 -119.224 113.932 -47.1678 -146.559 0.819347 195.871 -65.1512 6.77785 PRESSAVG: 2282200 -93.3703 -35.9973 -31.5011 -35.9973 -20.861 6.19404 -31.501 6.19398 106.436 GPRESSAVG: 2282200 -93.1686 -35.7701 -31.3939 -34.7459 -21.962 4.97085 -30.5375 5.80305 107.767 TIMING: 2282200 CPU: 6614.4, 0.00288168/step Wall: 6614.4, 0.00288168/step, 2.17551 hours remaining, 208.156250 MB of memory in use. ENERGY: 2282200 764.2542 2100.5827 1959.2132 111.9031 -206010.7566 17769.5025 0.0000 0.0000 34362.1802 -148943.1207 300.0935 -183305.3009 -148841.5586 299.6687 -43.8976 -14.4116 558969.9168 -2.5983 -2.4545 PRESSURE: 2282400 10.4248 71.3541 31.2962 71.3542 -403.022 53.6401 31.2964 53.6405 -245.181 GPRESSURE: 2282400 58.8967 63.2559 -2.24738 123.563 -321.149 129.573 138.279 -7.01191 -262.782 PRESSAVG: 2282400 -24.0112 31.9299 3.97649 31.9298 -51.8546 1.1263 3.97649 1.12635 43.4851 GPRESSAVG: 2282400 -25.0309 33.0497 6.14187 30.6644 -50.4814 0.691653 3.14134 2.09242 43.7666 TIMING: 2282400 CPU: 6614.97, 0.00288718/step Wall: 6614.97, 0.00288718/step, 2.1795 hours remaining, 208.359375 MB of memory in use. ENERGY: 2282400 761.9558 2061.4428 1964.9663 118.7005 -205994.3329 17720.4574 0.0000 0.0000 34137.5456 -149229.2645 298.1317 -183366.8101 -149136.3987 299.3085 -212.5928 -175.0116 559385.3937 -10.7935 -10.5819 PRESSURE: 2282600 -86.2676 4.77215 139.022 4.77282 22.5825 0.219887 139.021 0.220795 -141.949 GPRESSURE: 2282600 -15.9081 102.962 188.882 59.924 -8.70877 11.889 196.847 -9.3794 -89.7383 PRESSAVG: 2282600 -33.8388 -1.13802 106.934 -1.13808 -42.4975 45.3809 106.934 45.3809 84.0631 GPRESSAVG: 2282600 -33.1327 -4.8241 105.954 1.99559 -41.4214 45.3807 107.634 45.4678 82.0508 TIMING: 2282600 CPU: 6615.55, 0.00290267/step Wall: 6615.55, 0.00290267/step, 2.19103 hours remaining, 208.359375 MB of memory in use. ENERGY: 2282600 748.3391 2087.4533 1947.0921 119.5893 -206222.8638 17753.1423 0.0000 0.0000 34303.6583 -149263.5895 299.5824 -183567.2478 -149167.9256 298.7002 -68.5446 -38.1184 559020.1126 2.5756 2.4989 PRESSURE: 2282800 -396.027 -32.7607 62.2659 -32.7608 -439.384 49.5763 62.267 49.5757 -244.95 GPRESSURE: 2282800 -428.399 -2.80076 79.2638 -0.567232 -367.374 89.298 66.1593 6.18346 -193.588 PRESSAVG: 2282800 -23.6526 -36.4749 22.7491 -36.4749 -36.3378 -1.35081 22.7491 -1.35081 25.7476 GPRESSAVG: 2282800 -24.6406 -35.8156 22.0522 -38.2925 -36.2749 -2.05665 22.2442 -2.38032 26.4654 TIMING: 2282800 CPU: 6616.14, 0.0029247/step Wall: 6616.14, 0.0029247/step, 2.2075 hours remaining, 208.359375 MB of memory in use. ENERGY: 2282800 722.9829 2078.0392 1950.0586 114.5765 -205935.0361 17452.8614 0.0000 0.0000 34362.2881 -149254.2294 300.0944 -183616.5176 -149149.4184 298.9371 -360.1204 -329.7869 559867.3107 -11.4143 -11.4834 PRESSURE: 2283000 -42.8534 -57.1343 66.1781 -57.1355 90.7337 16.3629 66.179 16.3638 -21.1829 GPRESSURE: 2283000 -6.17391 17.0802 93.8672 58.5515 160.536 18.683 6.9972 74.9478 -23.8472 PRESSAVG: 2283000 -12.4278 36.5749 3.81925 36.5749 14.8712 -28.5554 3.81933 -28.5554 -7.75968 GPRESSAVG: 2283000 -10.9942 36.84 4.70614 37.4605 14.5055 -28.408 3.93491 -27.4317 -7.98898 TIMING: 2283000 CPU: 6616.72, 0.00290146/step Wall: 6616.72, 0.00290146/step, 2.18979 hours remaining, 208.359375 MB of memory in use. ENERGY: 2283000 732.4153 2012.4324 1931.9492 115.6125 -206136.1968 17781.0530 0.0000 0.0000 34240.2418 -149322.4927 299.0285 -183562.7345 -149226.1088 298.7817 8.8991 43.5050 557956.0950 -1.7721 -1.4926 PRESSURE: 2283200 -265.367 84.7447 48.625 84.7448 -174.22 10.6641 48.6244 10.6632 -433.734 GPRESSURE: 2283200 -260.815 36.1244 73.5172 17.7925 -102.293 80.3538 16.8989 -36.1818 -416.083 PRESSAVG: 2283200 -1.97388 0.0300304 9.62426 0.0300222 2.17175 30.4514 9.62423 30.4512 -29.0048 GPRESSAVG: 2283200 -1.54017 2.33782 9.86428 -0.612558 2.30353 30.6547 9.97173 30.8116 -29.4358 TIMING: 2283200 CPU: 6617.3, 0.00291864/step Wall: 6617.3, 0.00291864/step, 2.2026 hours remaining, 208.359375 MB of memory in use. ENERGY: 2283200 743.1947 2119.3512 1945.7228 115.2649 -205839.2424 17534.9262 0.0000 0.0000 34182.3718 -149198.4108 298.5232 -183380.7826 -149109.1410 298.9688 -291.1069 -259.7300 559414.6157 -9.6023 -9.5575 PRESSURE: 2283400 -48.2051 65.0946 16.3748 65.094 -21.1617 -27.8287 16.3748 -27.8278 283.75 GPRESSURE: 2283400 -23.7532 5.44931 11.3601 105.252 11.6865 1.73813 101.26 12.2098 335.362 PRESSAVG: 2283400 -62.0634 22.4989 -1.49033 22.499 26.2249 -5.37548 -1.49025 -5.37538 49.9219 GPRESSAVG: 2283400 -63.1455 21.5308 -0.498562 22.7015 25.8609 -5.25679 -2.29377 -6.55863 51.1047 TIMING: 2283400 CPU: 6617.89, 0.0029256/step Wall: 6617.89, 0.0029256/step, 2.20769 hours remaining, 208.359375 MB of memory in use. ENERGY: 2283400 746.7332 2092.6701 1957.4342 104.7475 -206199.1239 17907.1267 0.0000 0.0000 34388.9617 -149001.4506 300.3274 -183390.4123 -148908.5263 299.1851 71.4611 107.7651 557966.0632 4.6945 4.6067 PRESSURE: 2283600 -67.1675 -20.9947 55.5557 -20.9955 85.7989 -37.1866 55.5572 -37.1865 -146.044 GPRESSURE: 2283600 -12.5646 -10.3089 70.3797 -14.2359 80.5422 -5.07595 16.8676 55.6387 -108.59 PRESSAVG: 2283600 -92.8661 -36.14 12.1608 -36.1401 -20.7448 102.426 12.1609 102.426 146.288 GPRESSAVG: 2283600 -92.523 -35.8614 9.93198 -36.7663 -19.083 102.555 13.6562 104.483 144.947 TIMING: 2283600 CPU: 6618.47, 0.00291568/step Wall: 6618.47, 0.00291568/step, 2.20004 hours remaining, 208.359375 MB of memory in use. ENERGY: 2283600 743.5468 2114.7397 1945.3541 127.5283 -205888.5195 17647.4643 0.0000 0.0000 34141.5836 -149168.3027 298.1669 -183309.8863 -149073.7572 299.3912 -42.4708 -13.5375 557779.6742 10.8925 11.1136 PRESSURE: 2283800 -379.707 -132.783 -112.64 -132.783 -345.969 89.2182 -112.639 89.2196 -102.787 GPRESSURE: 2283800 -326.067 -56.8892 -121.757 -248.649 -281.909 68.263 -140.291 58.123 -124.98 PRESSAVG: 2283800 -66.9185 8.86454 23.6584 8.8646 39.0827 -0.78105 23.6584 -0.781152 84.161 GPRESSAVG: 2283800 -66.7306 8.39612 23.7413 8.96023 37.9265 -2.12912 22.4498 -0.522989 85.6343 TIMING: 2283800 CPU: 6619.05, 0.00289462/step Wall: 6619.05, 0.00289462/step, 2.18399 hours remaining, 208.359375 MB of memory in use. ENERGY: 2283800 789.9531 2025.6407 1947.2512 116.4444 -205864.9255 17496.5849 0.0000 0.0000 34358.5674 -149130.4837 300.0619 -183489.0511 -149032.8994 299.9571 -276.1543 -244.3188 557816.3149 18.7751 18.9434 PRESSURE: 2284000 -42.8349 36.0016 214.878 36.0009 96.1001 164.508 214.878 164.509 -29.0951 GPRESSURE: 2284000 -44.1116 9.13508 171.816 154.412 150.367 191.827 181.48 109.495 5.64795 PRESSAVG: 2284000 -29.8826 -40.0171 18.0302 -40.017 22.8729 18.738 18.0302 18.7379 -20.9386 GPRESSAVG: 2284000 -30.091 -41.2634 19.0487 -37.8839 23.5648 17.4941 17.2603 16.6014 -21.2084 TIMING: 2284000 CPU: 6619.63, 0.00292686/step Wall: 6619.63, 0.00292686/step, 2.20815 hours remaining, 208.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2284000 738.4806 2106.1903 1956.0774 112.4509 -206273.7832 17780.9955 0.0000 0.0000 34399.0575 -149180.5310 300.4155 -183579.5885 -149087.0247 299.2988 8.0567 37.3012 556751.2415 -9.3161 -9.2449 PRESSURE: 2284200 7.14389 102.053 47.24 102.053 43.2873 -117.234 47.2405 -117.234 -14.9522 GPRESSURE: 2284200 103.075 83.5521 48.4118 83.9489 58.2756 -82.9668 62.5578 -99.4405 -27.9069 PRESSAVG: 2284200 83.2282 -23.4211 68.2967 -23.421 -38.5108 -25.3971 68.2968 -25.3971 -24.9039 GPRESSAVG: 2284200 84.0586 -21.3577 64.7767 -24.6632 -38.6762 -23.44 70.7091 -24.55 -25.1602 TIMING: 2284200 CPU: 6620.22, 0.00291185/step Wall: 6620.22, 0.00291185/step, 2.19667 hours remaining, 208.359375 MB of memory in use. ENERGY: 2284200 748.3418 2075.7025 1940.7036 109.4633 -206076.3998 17860.5028 0.0000 0.0000 34277.4651 -149064.2206 299.3536 -183341.6858 -148970.7453 300.1345 11.8263 44.4812 557002.9893 6.6045 6.7407 LDB: ============= START OF LOAD BALANCING ============== 6623.6 LDB: ============== END OF LOAD BALANCING =============== 6623.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6623.6 LDB: ============= START OF LOAD BALANCING ============== 6623.9 LDB: Largest compute 4820 load 0.023028 is 19.5% of average load 0.117900 LDB: Average compute 0.001745 is 1.5% of average load 0.117900 LDB: TIME 6623.9 LOAD: AVG 0.1179 MAX 0.179117 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.262 MB LDB: TIME 6623.9 LOAD: AVG 0.1179 MAX 0.179117 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: TIME 6623.9 LOAD: AVG 0.1179 MAX 0.179117 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: ============== END OF LOAD BALANCING =============== 6623.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6623.91 PRESSURE: 2284400 42.106 48.4716 -45.8046 48.4715 105.712 -28.3458 -45.8036 -28.3431 316.638 GPRESSURE: 2284400 91.1678 40.5628 -60.739 46.1982 130.683 62.7338 -107.561 -1.68206 335.099 PRESSAVG: 2284400 64.836 11.1454 -26.2281 11.1454 -61.0825 28.048 -26.2281 28.048 -37.9089 GPRESSAVG: 2284400 64.1998 10.8113 -22.7281 10.3118 -60.6483 26.6214 -27.5907 28.533 -37.7564 TIMING: 2284400 CPU: 6620.81, 0.00296395/step Wall: 6620.81, 0.00296395/step, 2.2358 hours remaining, 209.183594 MB of memory in use. ENERGY: 2284400 732.8607 2112.9268 1943.2353 113.3069 -206211.2372 17884.0263 0.0000 0.0000 34450.4103 -148974.4710 300.8640 -183424.8813 -148879.9051 299.9123 154.8187 185.6498 555823.0389 -11.3851 -11.4016 PRESSURE: 2284600 3.88387 69.536 -112.594 69.5351 -252.408 -206.658 -112.594 -206.658 7.41882 GPRESSURE: 2284600 13.8881 4.51364 -59.5032 97.1832 -200.118 -146.434 -166.15 -107.374 45.2806 PRESSAVG: 2284600 -0.271657 -19.0462 -21.425 -19.0462 -11.6213 -14.3598 -21.4251 -14.3599 24.0226 GPRESSAVG: 2284600 -1.22325 -18.562 -21.9559 -17.6115 -10.4216 -11.3224 -20.9689 -15.5387 24.0693 TIMING: 2284600 CPU: 6621.39, 0.00289619/step Wall: 6621.39, 0.00289619/step, 2.18453 hours remaining, 209.277344 MB of memory in use. ENERGY: 2284600 759.5043 2101.7635 1944.6290 110.3061 -205762.0913 17652.5987 0.0000 0.0000 34118.0158 -149075.2738 297.9611 -183193.2896 -148981.8085 299.9564 -80.3685 -46.9830 557437.9957 4.0432 4.1415 PRESSURE: 2284800 107.422 116.765 175.078 116.766 67.1641 -137.795 175.078 -137.796 -286.36 GPRESSURE: 2284800 129.415 128.884 118.949 9.15984 134.345 -108.783 204.069 -80.0677 -277.659 PRESSAVG: 2284800 -44.0212 33.9384 -16.2731 33.9384 -21.8279 13.0332 -16.2732 13.0334 37.4481 GPRESSAVG: 2284800 -43.2009 33.7855 -17.666 33.0118 -22.266 10.8379 -15.4741 14.3524 37.1406 TIMING: 2284800 CPU: 6621.96, 0.00287773/step Wall: 6621.96, 0.00287773/step, 2.17045 hours remaining, 209.277344 MB of memory in use. ENERGY: 2284800 766.1053 2081.6979 1934.3531 133.2370 -206049.4509 17738.7015 0.0000 0.0000 34176.0213 -149219.3348 298.4677 -183395.3561 -149124.9623 299.5009 -37.2582 -4.6329 557927.3900 -9.4670 -9.4421 PRESSURE: 2285000 231.748 112.124 21.7706 112.123 294.515 -78.5935 21.7696 -78.5943 -110.553 GPRESSURE: 2285000 327.851 115.047 -73.9568 74.3395 319.866 -37.9747 73.8312 -79.9846 -130.88 PRESSAVG: 2285000 66.4551 56.1779 -39.8933 56.178 -18.3562 -12.8092 -39.8933 -12.8092 23.9856 GPRESSAVG: 2285000 68.4871 57.5235 -38.8089 53.7527 -19.2549 -14.2946 -39.7939 -12.1286 22.7849 TIMING: 2285000 CPU: 6622.54, 0.00287248/step Wall: 6622.54, 0.00287248/step, 2.16633 hours remaining, 209.277344 MB of memory in use. ENERGY: 2285000 728.4814 2123.5905 1956.3007 108.2431 -206220.4000 17946.5082 0.0000 0.0000 34001.5160 -149355.7600 296.9437 -183357.2760 -149259.0071 299.1371 138.5703 172.2789 557025.1386 24.0282 24.0057 PRESSURE: 2285200 202.848 -105.86 97.3823 -105.86 59.7012 -137.654 97.3818 -137.654 257.276 GPRESSURE: 2285200 241.96 -49.3341 55.4932 -88.6504 96.792 -158.076 62.1972 -164.378 291.711 PRESSAVG: 2285200 57.3974 49.7737 11.4132 49.7738 -45.1478 1.74675 11.4132 1.74669 34.0731 GPRESSAVG: 2285200 55.5049 48.1226 11.3795 52.8824 -43.8839 4.67639 11.7843 -1.16343 35.2506 TIMING: 2285200 CPU: 6623.12, 0.00288464/step Wall: 6623.12, 0.00288464/step, 2.17534 hours remaining, 209.277344 MB of memory in use. ENERGY: 2285200 718.7603 2084.1775 1931.1616 106.6997 -206231.6498 17907.7531 0.0000 0.0000 34041.5443 -149441.5535 297.2933 -183483.0977 -149347.5332 298.4281 173.2750 210.1544 558032.5464 15.4409 15.6239 PRESSURE: 2285400 -41.4548 -136.135 -24.8455 -136.135 -91.5441 -238.236 -24.8442 -238.236 -20.2308 GPRESSURE: 2285400 -15.0084 -171.737 -19.0565 -92.0893 -65.5418 -125.683 -93.1948 -266.887 26.3965 PRESSAVG: 2285400 11.4684 7.76233 49.8501 7.76239 33.0372 -23.7991 49.8501 -23.7992 -37.1668 GPRESSAVG: 2285400 12.7558 8.96097 51.1844 5.18142 31.9545 -23.1769 49.2767 -23.673 -37.8064 TIMING: 2285400 CPU: 6623.7, 0.00290009/step Wall: 6623.7, 0.00290009/step, 2.18683 hours remaining, 209.277344 MB of memory in use. ENERGY: 2285400 764.0323 2065.4533 1940.2718 102.3692 -206156.6029 17854.0557 0.0000 0.0000 34249.9071 -149180.5134 299.1130 -183430.4205 -149088.7531 299.2585 -51.0766 -18.0512 558011.5879 2.4463 2.3013 PRESSURE: 2285600 -267.01 58.8727 -76.306 58.8727 -253.963 90.7445 -76.3062 90.7438 -145.736 GPRESSURE: 2285600 -192.871 15.3295 32.0375 -36.102 -202.259 94.284 -119.209 53.1462 -175.059 PRESSAVG: 2285600 51.9707 -37.8056 1.41973 -37.8057 -71.6821 -64.3202 1.41966 -64.3203 8.4273 GPRESSAVG: 2285600 51.2954 -37.5815 -1.23525 -37.2718 -72.4512 -65.3849 2.44425 -63.6831 9.68927 TIMING: 2285600 CPU: 6624.27, 0.00288465/step Wall: 6624.27, 0.00288465/step, 2.17502 hours remaining, 209.277344 MB of memory in use. ENERGY: 2285600 764.2684 2100.9617 1921.4436 112.4207 -205933.0051 17605.8667 0.0000 0.0000 34322.2576 -149105.7864 299.7448 -183428.0440 -149018.2163 299.5802 -222.2363 -190.0631 559034.0380 -3.7614 -3.8222 PRESSURE: 2285800 -434.46 -3.71391 181.934 -3.71346 -38.5897 10.2902 181.934 10.2887 -244.018 GPRESSURE: 2285800 -455.567 85.7708 276.001 34.0599 -2.97576 2.16546 107.343 -16.498 -150.464 PRESSAVG: 2285800 -2.74743 12.6199 39.362 12.6198 1.35454 22.9562 39.362 22.9564 -15.1033 GPRESSAVG: 2285800 -3.925 12.21 40.7198 14.0484 3.47367 22.2851 38.0338 23.7719 -15.9381 TIMING: 2285800 CPU: 6624.85, 0.0028857/step Wall: 6624.85, 0.0028857/step, 2.17566 hours remaining, 209.277344 MB of memory in use. ENERGY: 2285800 765.7906 2046.9861 1938.4424 104.7916 -205709.4654 17546.5511 0.0000 0.0000 34193.7648 -149113.1389 298.6227 -183306.9037 -149018.9387 299.4060 -239.0225 -203.0020 559526.8452 -5.4987 -5.4631 PRESSURE: 2286000 15.6093 85.0583 -2.97459 85.0584 121.212 -82.7079 -2.97443 -82.7083 325.347 GPRESSURE: 2286000 75.2787 53.6424 -61.9167 122.705 147.906 -67.3324 53.6861 -46.0727 341.588 PRESSAVG: 2286000 -45.1926 25.8486 20.6697 25.8485 30.2923 46.648 20.6697 46.6481 43.6394 GPRESSAVG: 2286000 -43.678 24.7603 21.787 26.7622 28.7704 45.9485 21.502 48.0838 43.8892 TIMING: 2286000 CPU: 6625.43, 0.00287497/step Wall: 6625.43, 0.00287497/step, 2.16741 hours remaining, 209.277344 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: 2286000 716.2988 2087.9234 1931.3656 118.4042 -205937.9483 17864.0920 0.0000 0.0000 34207.6072 -149012.2571 298.7435 -183219.8643 -148920.2473 299.2861 154.0560 188.2576 557967.7354 9.5797 9.6605 PRESSURE: 2286200 322.042 83.4254 -128.178 83.4269 -16.6928 25.6466 -128.178 25.6464 10.3002 GPRESSURE: 2286200 299.246 74.8094 -174.611 49.1735 37.2772 22.4118 -117.512 27.185 62.6708 PRESSAVG: 2286200 71.8622 29.861 -0.493946 29.861 -6.46732 -13.2464 -0.493891 -13.2465 -15.1754 GPRESSAVG: 2286200 71.6565 30.1273 -1.68632 27.4323 -5.4937 -13.3952 -1.44495 -14.2053 -16.0373 TIMING: 2286200 CPU: 6626.01, 0.00290336/step Wall: 6626.01, 0.00290336/step, 2.18865 hours remaining, 209.277344 MB of memory in use. ENERGY: 2286200 700.9394 2131.9102 1950.0883 107.8243 -206188.3775 17842.1279 0.0000 0.0000 34446.1360 -149009.3515 300.8267 -183455.4875 -148911.2766 300.3764 105.2164 133.0645 557395.8429 16.7398 16.7085 PRESSURE: 2286400 303.399 29.4292 20.0883 29.4289 85.6293 -99.9427 20.0887 -99.9426 25.7547 GPRESSURE: 2286400 349.637 44.9149 52.8529 -3.74213 115.653 -64.2087 18.4439 -110.452 59.2814 PRESSAVG: 2286400 58.7447 -26.489 54.7811 -26.489 -38.1131 45.4692 54.7811 45.4693 -36.0433 GPRESSAVG: 2286400 59.8599 -26.0642 54.0942 -27.1738 -39.7976 48.5188 55.7526 43.5019 -35.1573 TIMING: 2286400 CPU: 6626.59, 0.00290703/step Wall: 6626.59, 0.00290703/step, 2.19126 hours remaining, 209.480469 MB of memory in use. ENERGY: 2286400 741.5675 2062.2840 1960.2338 106.3203 -206084.0986 17883.6885 0.0000 0.0000 34381.2955 -148948.7089 300.2604 -183330.0045 -148854.1429 300.0694 138.2610 174.8572 557986.6517 -5.1372 -5.0317 PRESSURE: 2286600 -37.1486 -67.129 225.002 -67.1283 82.5848 -21.2095 225.003 -21.2104 -14.0256 GPRESSURE: 2286600 21.1769 -2.76938 150.633 -61.1106 72.4747 -42.1712 232.544 3.24764 32.7452 PRESSAVG: 2286600 53.572 -17.535 9.52703 -17.5351 -27.2758 29.6385 9.52694 29.6384 -14.662 GPRESSAVG: 2286600 53.0884 -14.9264 9.49505 -17.1418 -26.8902 27.494 8.03144 31.358 -13.9099 TIMING: 2286600 CPU: 6627.16, 0.00288205/step Wall: 6627.16, 0.00288205/step, 2.17227 hours remaining, 209.480469 MB of memory in use. ENERGY: 2286600 734.3304 2091.3901 1932.5951 107.7824 -205888.0174 17761.7155 0.0000 0.0000 34256.7044 -149003.4996 299.1723 -183260.2040 -148908.9577 300.0626 10.4702 42.1322 557396.8850 3.8781 4.0961 PRESSURE: 2286800 15.1341 -64.6211 -9.1395 -64.6218 62.457 73.9979 -9.13863 73.9983 67.2231 GPRESSURE: 2286800 108.866 -25.8303 32.9859 11.0682 47.8527 54.559 -58.5248 43.9132 78.5002 PRESSAVG: 2286800 143.104 14.4314 -10.1299 14.4315 -75.6114 6.46382 -10.13 6.46396 -24.6817 GPRESSAVG: 2286800 143.44 12.6271 -9.4229 17.6956 -74.0099 6.82138 -9.36742 6.07935 -26.2423 TIMING: 2286800 CPU: 6627.74, 0.00288086/step Wall: 6627.74, 0.00288086/step, 2.17121 hours remaining, 209.480469 MB of memory in use. ENERGY: 2286800 726.8945 2057.8391 1947.6327 113.0963 -206027.5851 17833.0628 0.0000 0.0000 34106.7801 -149242.2796 297.8630 -183349.0597 -149145.5383 300.0849 48.2714 78.4064 557767.9737 14.2703 14.3961 PRESSURE: 2287000 -77.1956 123.961 -0.932398 123.96 -285.521 -127.25 -0.931575 -127.248 -68.5184 GPRESSURE: 2287000 -148.814 127.964 16.2082 221.751 -173.784 -134.26 -50.1186 -78.3408 -16.7124 PRESSAVG: 2287000 53.5152 32.1491 30.0544 32.1491 -28.6699 -15.4488 30.0543 -15.4488 -0.62629 GPRESSAVG: 2287000 53.0489 32.2388 27.4146 32.3834 -28.4776 -16.5408 30.9481 -14.2661 -0.094543 TIMING: 2287000 CPU: 6628.32, 0.00288625/step Wall: 6628.32, 0.00288625/step, 2.17511 hours remaining, 209.480469 MB of memory in use. ENERGY: 2287000 718.1652 2092.6236 1956.7814 109.6515 -205968.3593 17590.1242 0.0000 0.0000 34319.2646 -149181.7488 299.7187 -183501.0134 -149080.7961 299.6447 -143.7451 -113.1034 557784.4188 8.0730 8.1589 PRESSURE: 2287200 130.936 22.3292 57.5669 22.3306 214.423 60.8095 57.5669 60.8096 15.8666 GPRESSURE: 2287200 162.367 54.4216 6.6849 -16.9924 227.694 2.56983 74.4404 136.518 72.2259 PRESSAVG: 2287200 8.283 -20.7881 52.4597 -20.7881 52.0614 -48.5417 52.4597 -48.5416 0.633998 GPRESSAVG: 2287200 8.79237 -21.6931 55.5172 -21.8595 51.7809 -47.6171 51.3698 -48.2025 0.824552 TIMING: 2287200 CPU: 6628.9, 0.00290944/step Wall: 6628.9, 0.00290943/step, 2.19242 hours remaining, 209.480469 MB of memory in use. ENERGY: 2287200 767.5688 2053.5910 1937.4085 118.5264 -206397.6415 18022.1281 0.0000 0.0000 34488.2998 -149010.1189 301.1949 -183498.4187 -148926.3426 299.8539 120.4088 154.0954 556056.5467 20.3261 20.4659 PRESSURE: 2287400 -4.6239 -32.2444 -40.9525 -32.2449 80.797 130.385 -40.952 130.385 91.064 GPRESSURE: 2287400 43.2795 28.1624 7.79895 -10.1271 151.823 126.41 -26.441 114.3 70.9239 PRESSAVG: 2287400 -53.9905 -32.097 53.2432 -32.097 108.929 -8.79519 53.2432 -8.79519 -28.3414 GPRESSAVG: 2287400 -52.4888 -31.748 53.2922 -31.8096 106.272 -8.47048 51.8948 -10.3739 -27.5391 TIMING: 2287400 CPU: 6629.48, 0.00289115/step Wall: 6629.48, 0.00289115/step, 2.17848 hours remaining, 209.480469 MB of memory in use. ENERGY: 2287400 772.0720 2073.1362 1961.7311 121.4158 -206175.9707 17893.5717 0.0000 0.0000 34245.9842 -149108.0597 299.0787 -183354.0439 -149013.9881 299.7950 55.7457 88.6756 557776.8295 8.8655 8.7481 PRESSURE: 2287600 26.1484 -132.304 88.0283 -132.304 -22.6795 -75.0039 88.0289 -75.0041 -119.622 GPRESSURE: 2287600 47.0761 -125.748 108.251 -178.859 -21.899 19.0566 30.5298 -161.209 -65.0641 PRESSAVG: 2287600 5.22651 13.2613 -7.39541 13.2614 -8.77529 18.0097 -7.39538 18.0097 -44.3254 GPRESSAVG: 2287600 2.87775 11.4654 -7.30534 13.3615 -7.04173 18.9057 -5.78175 16.7917 -44.4031 TIMING: 2287600 CPU: 6630.06, 0.00290181/step Wall: 6630.06, 0.00290181/step, 2.18636 hours remaining, 209.480469 MB of memory in use. ENERGY: 2287600 737.7029 2157.4803 1971.0066 108.4790 -206107.8328 17748.4938 0.0000 0.0000 34329.3354 -149055.3348 299.8066 -183384.6703 -148957.4158 299.4225 -38.7178 -13.2957 556470.8912 -15.9581 -16.1890 PRESSURE: 2287800 -100.538 -20.1993 132.578 -20.1979 -114.446 181.228 132.576 181.228 142.507 GPRESSURE: 2287800 -76.0632 59.6178 76.4485 -77.6053 -61.717 116.586 146.523 157.847 157.875 PRESSAVG: 2287800 -29.6707 -20.198 -46.9459 -20.1979 46.0024 -9.26498 -46.9459 -9.26496 -44.1629 GPRESSAVG: 2287800 -30.3802 -17.3837 -47.9117 -21.5512 46.6748 -9.54395 -47.7108 -8.32896 -44.2715 TIMING: 2287800 CPU: 6630.64, 0.00290264/step Wall: 6630.64, 0.00290264/step, 2.18682 hours remaining, 209.480469 MB of memory in use. ENERGY: 2287800 725.3791 2129.9515 1952.4149 107.4109 -205982.0433 17691.2004 0.0000 0.0000 34296.3171 -149079.3693 299.5183 -183375.6865 -148983.0036 300.2822 -24.1592 6.6984 556488.8595 -9.2771 -9.3256 PRESSURE: 2288000 -332.01 -164.702 -111.416 -164.702 -14.3612 -29.2706 -111.417 -29.2698 -428.238 GPRESSURE: 2288000 -268.48 -200.594 -101.281 -159.242 -15.6133 -107.812 -173.915 -25.4396 -391.747 PRESSAVG: 2288000 -41.8276 -20.401 -42.628 -20.401 60.38 42.1732 -42.628 42.1732 -1.68195 GPRESSAVG: 2288000 -40.5847 -20.9118 -43.2967 -20.0887 58.7373 42.6623 -42.2126 42.3744 -1.35858 TIMING: 2288000 CPU: 6631.22, 0.00290612/step Wall: 6631.22, 0.00290612/step, 2.18927 hours remaining, 209.480469 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: 2288000 800.8359 1990.5062 1947.9894 115.0148 -205867.0396 17441.1933 0.0000 0.0000 34201.6572 -149369.8429 298.6916 -183571.5001 -149273.3837 299.1318 -258.2028 -225.2802 555851.3875 5.6235 5.5980 PRESSURE: 2288200 -199.816 -23.1091 -57.0766 -23.1114 173.029 57.7692 -57.0767 57.7701 -233.128 GPRESSURE: 2288200 -200.475 -10.9315 -30.0931 -43.0272 222.555 87.607 -75.0076 -17.7982 -178.671 PRESSAVG: 2288200 3.20888 -18.6666 1.0074 -18.6666 38.545 -23.4676 1.00742 -23.4675 -22.6029 GPRESSAVG: 2288200 3.54211 -17.3668 2.54861 -18.1559 38.7967 -24.4622 1.11358 -21.696 -23.8121 TIMING: 2288200 CPU: 6631.81, 0.00293181/step Wall: 6631.81, 0.00293181/step, 2.20847 hours remaining, 209.480469 MB of memory in use. ENERGY: 2288200 787.3460 2023.3160 1920.5350 115.9530 -205929.5630 17561.0421 0.0000 0.0000 34193.9342 -149327.4368 298.6241 -183521.3710 -149235.5626 298.6520 -86.6383 -52.1973 556985.6682 6.3836 6.1756 LDB: ============= START OF LOAD BALANCING ============== 6635.19 LDB: ============== END OF LOAD BALANCING =============== 6635.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6635.2 LDB: ============= START OF LOAD BALANCING ============== 6635.49 LDB: Largest compute 4800 load 0.023698 is 20.1% of average load 0.117868 LDB: Average compute 0.001749 is 1.5% of average load 0.117868 LDB: TIME 6635.49 LOAD: AVG 0.117868 MAX 0.179189 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.828 MB LDB: TIME 6635.49 LOAD: AVG 0.117868 MAX 0.179189 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.828 MB LDB: TIME 6635.49 LOAD: AVG 0.117868 MAX 0.179189 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.828 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6635.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6635.5 PRESSURE: 2288400 -144.063 -48.2661 27.1281 -48.2657 -21.1134 -37.4552 27.1276 -37.4571 2.22229 GPRESSURE: 2288400 -109.375 -24.0318 -15.2937 -17.4732 14.9835 40.1045 6.39588 -37.2837 30.9993 PRESSAVG: 2288400 -23.0056 -31.6716 53.8256 -31.6716 77.3239 15.9201 53.8256 15.9202 -4.64535 GPRESSAVG: 2288400 -23.6358 -33.4674 55.0852 -31.6561 78.9169 16.6399 54.3712 13.3922 -5.05221 TIMING: 2288400 CPU: 6632.4, 0.00297502/step Wall: 6632.4, 0.00297502/step, 2.24085 hours remaining, 209.472656 MB of memory in use. ENERGY: 2288400 777.3982 2038.5645 1927.1725 109.0954 -206688.5373 17961.9313 0.0000 0.0000 34327.5597 -149546.8157 299.7911 -183874.3754 -149449.0758 299.0100 -54.3179 -21.1306 557018.1038 16.5577 16.7430 PRESSURE: 2288600 79.4513 103.551 -226.875 103.551 187.836 -93.3358 -226.876 -93.3351 51.7791 GPRESSURE: 2288600 133.599 113.597 -244.616 40.9919 200.211 49.4557 -172.466 -188.59 83.1221 PRESSAVG: 2288600 -14.2348 -10.1904 -11.0647 -10.1903 -41.9235 38.3399 -11.0647 38.3399 25.7535 GPRESSAVG: 2288600 -14.5741 -9.39782 -14.0962 -12.1173 -42.1878 38.9694 -10.2932 37.4876 25.9059 TIMING: 2288600 CPU: 6632.98, 0.00290192/step Wall: 6632.98, 0.00290192/step, 2.18563 hours remaining, 209.542969 MB of memory in use. ENERGY: 2288600 750.4051 2027.3547 1975.7703 113.0710 -206563.6117 17988.5040 0.0000 0.0000 34333.0174 -149375.4892 299.8388 -183708.5067 -149279.5482 298.4045 106.3556 138.9776 557901.9860 -10.1349 -10.2853 PRESSURE: 2288800 -369.272 -151.452 38.6717 -151.453 -162.481 -151.86 38.6716 -151.862 -143.26 GPRESSURE: 2288800 -353.531 -206.159 -43.9074 -137.461 -116.617 -152.365 132.541 -214.064 -110.862 PRESSAVG: 2288800 57.7499 -58.9907 -31.0715 -58.9907 -33.3133 -27.765 -31.0713 -27.7649 -6.46478 GPRESSAVG: 2288800 59.031 -60.0583 -29.7039 -57.9923 -34.4373 -28.7615 -32.1887 -25.9848 -6.1464 TIMING: 2288800 CPU: 6633.56, 0.0029121/step Wall: 6633.56, 0.0029121/step, 2.19313 hours remaining, 209.542969 MB of memory in use. ENERGY: 2288800 772.6818 2011.3155 1946.9801 114.1329 -205806.1972 17442.2649 0.0000 0.0000 34067.0934 -149451.7287 297.5164 -183518.8221 -149352.5788 298.7062 -225.0044 -193.6699 558162.6850 5.9906 6.1491 PRESSURE: 2289000 -13.7761 128.349 102.397 128.348 260.477 -150.717 102.397 -150.717 119.453 GPRESSURE: 2289000 -14.675 151.382 115.016 117.419 334.828 -132.653 75.4379 -113.566 148.603 PRESSAVG: 2289000 19.4347 -64.8422 5.40114 -64.8421 -11.1767 -34.4606 5.40102 -34.4607 -53.9407 GPRESSAVG: 2289000 18.2374 -65.1343 7.01215 -66.1827 -10.4464 -35.0333 4.86925 -36.008 -53.5225 TIMING: 2289000 CPU: 6634.15, 0.00290684/step Wall: 6634.15, 0.00290684/step, 2.18901 hours remaining, 209.542969 MB of memory in use. ENERGY: 2289000 751.0984 2040.7763 1917.0145 114.2736 -206601.0798 18091.3128 0.0000 0.0000 34345.2146 -149341.3896 299.9453 -183686.6042 -149242.0720 299.0567 122.0512 156.2517 556691.3191 -15.2276 -15.2439 PRESSURE: 2289200 41.4977 -29.1193 -6.04471 -29.1196 267.485 171.979 -6.04493 171.981 373.674 GPRESSURE: 2289200 54.1603 -92.1225 -67.2843 1.29024 283.11 184 103.922 208.651 449.729 PRESSAVG: 2289200 -28.9321 -12.2158 50.2653 -12.2158 -6.1903 -19.3949 50.2655 -19.3948 22.0074 GPRESSAVG: 2289200 -29.5206 -12.2338 48.0925 -10.7964 -4.34573 -18.5516 49.41 -19.1668 20.7183 TIMING: 2289200 CPU: 6634.72, 0.00286288/step Wall: 6634.72, 0.00286287/step, 2.15574 hours remaining, 209.542969 MB of memory in use. ENERGY: 2289200 726.4067 2088.5415 1962.0373 109.2823 -206424.1082 18090.0536 0.0000 0.0000 34319.2516 -149128.5352 299.7186 -183447.7868 -149036.5836 299.5973 227.5523 262.3330 557191.4087 -4.3717 -4.3827 PRESSURE: 2289400 64.6934 141.626 155.14 141.627 68.7891 -84.8836 155.14 -84.883 -18.7397 GPRESSURE: 2289400 104.75 84.7669 133.43 157.227 55.6918 -99.9654 149.364 -89.5998 43.4623 PRESSAVG: 2289400 -41.5196 -17.2113 -21.52 -17.2112 26.4526 -50.6458 -21.5201 -50.6458 16.6225 GPRESSAVG: 2289400 -40.0697 -15.0795 -21.5466 -18.6791 24.3362 -52.5071 -21.39 -50.8265 17.29 TIMING: 2289400 CPU: 6635.29, 0.0028737/step Wall: 6635.29, 0.0028737/step, 2.16374 hours remaining, 209.542969 MB of memory in use. ENERGY: 2289400 753.8814 2136.3892 1961.7716 113.4495 -206140.2694 17808.9647 0.0000 0.0000 34285.3221 -149080.4909 299.4222 -183365.8130 -148979.4981 300.2436 38.2476 67.9681 557707.0385 0.5185 0.5188 PRESSURE: 2289600 110.312 143.553 156.545 143.553 168.243 -64.0819 156.544 -64.0808 -216.425 GPRESSURE: 2289600 145.024 200.254 110.55 77.6628 209.52 -61.3928 200.818 -67.7685 -191.953 PRESSAVG: 2289600 12.0313 33.7441 40.0179 33.7441 10.6511 11.4296 40.0179 11.4296 -20.167 GPRESSAVG: 2289600 11.1189 34.3117 38.8512 35.5258 11.6778 13.2542 40.5561 10.8874 -19.6628 TIMING: 2289600 CPU: 6635.87, 0.00286354/step Wall: 6635.87, 0.00286354/step, 2.15593 hours remaining, 209.542969 MB of memory in use. ENERGY: 2289600 762.4171 2038.4935 1944.8348 113.7468 -205975.5875 17839.4213 0.0000 0.0000 34385.6265 -148891.0475 300.2982 -183276.6740 -148797.6074 300.1708 20.7100 54.1969 558155.0823 0.8385 1.0447 PRESSURE: 2289800 -99.9609 176.391 77.5602 176.392 -227.819 -140.132 77.5595 -140.132 -136.469 GPRESSURE: 2289800 -59.7937 197.113 102.626 173.339 -188.968 -133.347 126.279 -97.2785 -112.912 PRESSAVG: 2289800 65.174 2.24278 3.98769 2.24276 19.4061 -15.9553 3.98778 -15.9552 -38.0829 GPRESSAVG: 2289800 65.1572 1.45896 5.22966 1.96742 19.4307 -17.1313 4.83604 -14.759 -38.269 TIMING: 2289800 CPU: 6636.44, 0.00287769/step Wall: 6636.44, 0.00287769/step, 2.16642 hours remaining, 209.542969 MB of memory in use. ENERGY: 2289800 736.3370 2070.5786 1982.9181 109.8304 -205856.9464 17641.6770 0.0000 0.0000 34341.8702 -148973.7351 299.9161 -183315.6053 -148882.8930 300.5486 -154.7495 -120.5577 559176.4171 15.4991 15.4396 PRESSURE: 2290000 -209.805 -44.5514 45.5586 -44.5516 -213.671 116.169 45.5596 116.169 -223.257 GPRESSURE: 2290000 -164.41 -116.262 20.0306 -42.1501 -172.391 147.95 78.8475 89.7979 -209.091 PRESSAVG: 2290000 69.6398 37.4975 13.9105 37.4976 13.6974 78.4545 13.9106 78.4546 -68.2831 GPRESSAVG: 2290000 70.0732 36.9606 14.3334 38.4584 13.8801 79.611 13.5291 78.783 -68.5316 TIMING: 2290000 CPU: 6637.02, 0.00288734/step Wall: 6637.02, 0.00288734/step, 2.17352 hours remaining, 209.542969 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: 2290000 800.5362 2065.4691 1921.9214 111.6737 -206032.3440 17768.2103 0.0000 0.0000 34370.1693 -148994.3641 300.1632 -183364.5334 -148899.6097 299.6560 -215.5778 -181.9637 557877.7497 5.0180 5.1406 PRESSURE: 2290200 15.4855 159.524 161.664 159.524 11.4921 123.479 161.664 123.479 -42.6343 GPRESSURE: 2290200 44.0917 137.144 133.122 84.6845 38.1896 71.7603 123.214 185.637 10.6722 PRESSAVG: 2290200 38.8868 -30.3302 43.1738 -30.3301 27.802 18.6316 43.1738 18.6316 -79.5024 GPRESSAVG: 2290200 40.6215 -32.1639 42.9394 -32.2918 26.9514 19.0534 41.8115 18.4009 -80.4017 TIMING: 2290200 CPU: 6637.6, 0.00288894/step Wall: 6637.6, 0.00288894/step, 2.17457 hours remaining, 209.542969 MB of memory in use. ENERGY: 2290200 738.5736 2094.2404 1958.3586 120.1624 -206038.4527 17821.4901 0.0000 0.0000 34227.1005 -149078.5270 298.9138 -183305.6275 -148978.7865 299.2606 -5.2189 30.9845 558063.1063 -4.2712 -4.2763 PRESSURE: 2290400 -132.029 -200.069 39.569 -200.068 211.772 190.603 39.5698 190.605 -151.31 GPRESSURE: 2290400 -107.548 -111.545 70.6524 -203.139 193.082 215.37 93.574 179.888 -69.521 PRESSAVG: 2290400 -20.8728 -1.09986 -18.8698 -1.09983 -27.5025 5.51994 -18.8698 5.52001 11.3585 GPRESSAVG: 2290400 -23.6318 1.26299 -19.7286 -1.26755 -27.4189 4.49507 -18.6121 4.87823 13.6852 TIMING: 2290400 CPU: 6638.17, 0.00288694/step Wall: 6638.17, 0.00288694/step, 2.1729 hours remaining, 209.542969 MB of memory in use. ENERGY: 2290400 746.5061 2055.2298 1966.2736 114.8096 -206159.4240 17948.4952 0.0000 0.0000 34229.4745 -149098.6352 298.9345 -183328.1098 -149010.1761 299.9056 -23.8557 5.3374 557549.1848 -12.3389 -12.4552 PRESSURE: 2290600 -408.225 -17.2577 88.7372 -17.2572 119.777 51.328 88.7374 51.3269 -104.611 GPRESSURE: 2290600 -329.213 -12.2521 83.239 -34.0521 150.783 81.6827 69.8289 32.0391 -106.905 PRESSAVG: 2290600 7.64524 13.7331 -1.19173 13.7331 31.5897 0.16278 -1.19171 0.162841 -43.5289 GPRESSAVG: 2290600 7.75216 13.0231 1.39352 16.2659 32.6963 0.655603 -1.77943 -0.350599 -44.6783 TIMING: 2290600 CPU: 6638.75, 0.00286943/step Wall: 6638.75, 0.00286943/step, 2.15956 hours remaining, 209.542969 MB of memory in use. ENERGY: 2290600 747.9557 2045.0978 1957.1638 110.9873 -205768.8881 17478.4821 0.0000 0.0000 34218.6793 -149210.5222 298.8402 -183429.2014 -149115.1137 299.4394 -131.0197 -95.1117 556354.8500 -1.4313 -1.4100 PRESSURE: 2290800 -104.432 35.4759 -40.0445 35.4746 -294.133 -29.9796 -40.043 -29.9806 -134.066 GPRESSURE: 2290800 -74.205 -13.6087 11.9107 45.9685 -220.528 -148.367 -44.955 54.0656 -132.197 PRESSAVG: 2290800 -54.8744 35.5251 -15.0233 35.5252 43.6795 7.2706 -15.0233 7.27058 17.2507 GPRESSAVG: 2290800 -53.9714 35.7911 -17.508 33.6767 42.999 5.38398 -12.2842 8.12891 17.2816 TIMING: 2290800 CPU: 6639.32, 0.00288259/step Wall: 6639.32, 0.00288259/step, 2.16931 hours remaining, 209.542969 MB of memory in use. ENERGY: 2290800 751.8497 2094.9730 1951.5182 112.6974 -205974.3714 17554.5738 0.0000 0.0000 34421.4473 -149087.3121 300.6111 -183508.7594 -148990.1383 299.7054 -177.5437 -142.3099 557944.4809 2.0186 2.1031 PRESSURE: 2291000 -35.1651 -38.7941 -72.6706 -38.793 -91.9686 -211.665 -72.6704 -211.665 -1.16835 GPRESSURE: 2291000 -46.8196 -16.5828 -212.31 -59.4984 -18.8131 -201.461 27.8365 -246.654 25.8572 PRESSAVG: 2291000 50.8271 -22.5586 13.4217 -22.5586 -13.8162 -7.7638 13.4218 -7.76383 -1.85764 GPRESSAVG: 2291000 51.3698 -20.9049 15.1673 -23.3451 -13.1523 -6.89943 12.4787 -8.98838 -2.54306 TIMING: 2291000 CPU: 6639.9, 0.00288834/step Wall: 6639.9, 0.00288834/step, 2.17348 hours remaining, 209.542969 MB of memory in use. ENERGY: 2291000 735.6612 2026.1122 1964.0096 110.1845 -206261.3080 17817.5449 0.0000 0.0000 34381.4412 -149226.3544 300.2617 -183607.7956 -149127.0904 300.0038 -42.7674 -13.2585 558805.1603 11.7177 11.8915 PRESSURE: 2291200 -61.5265 45.829 24.6285 45.8293 -5.06735 -133.472 24.6275 -133.473 -248.864 GPRESSURE: 2291200 2.80283 115.34 9.82341 -5.24248 18.3191 -51.0954 -21.7703 -105.654 -243.933 PRESSAVG: 2291200 -4.1358 42.7065 4.44548 42.7065 -5.90652 1.32175 4.44555 1.32171 0.158975 GPRESSAVG: 2291200 -5.24552 42.5752 3.29972 42.3512 -5.14262 2.07108 3.34569 2.00335 1.08242 TIMING: 2291200 CPU: 6640.48, 0.00289348/step Wall: 6640.48, 0.00289348/step, 2.17718 hours remaining, 209.664062 MB of memory in use. ENERGY: 2291200 783.1127 2084.3646 1981.2784 104.7984 -206203.2902 17901.4326 0.0000 0.0000 34208.0713 -149140.2321 298.7476 -183348.3034 -149045.1877 299.7685 -105.1525 -74.2702 558521.6304 -3.2944 -3.1019 PRESSURE: 2291400 174.639 -47.8993 -29.3932 -47.8994 -15.7059 33.2794 -29.393 33.2764 68.6596 GPRESSURE: 2291400 176.732 -159.025 -2.22075 -8.78699 -25.0738 30.9776 -81.3223 61.7622 149.687 PRESSAVG: 2291400 -5.19388 22.1391 24.0486 22.1393 -6.68987 22.765 24.0486 22.7651 41.7772 GPRESSAVG: 2291400 -4.90617 20.8783 23.7576 22.4969 -6.85234 22.6447 26.3695 22.7605 41.5873 TIMING: 2291400 CPU: 6641.06, 0.00290594/step Wall: 6641.06, 0.00290594/step, 2.1864 hours remaining, 209.664062 MB of memory in use. ENERGY: 2291400 748.0078 2078.3987 1974.1887 111.4280 -206118.1731 17938.6798 0.0000 0.0000 34356.3244 -148911.1457 300.0423 -183267.4701 -148811.9774 300.2889 75.8643 100.4481 558633.3001 9.9645 9.9429 PRESSURE: 2291600 -309.478 34.961 1.0146 34.9608 -156.929 244.783 1.01466 244.783 -216.124 GPRESSURE: 2291600 -279.9 6.16682 -10.1679 34.2331 -76.9262 167.2 40.2532 247.474 -214.414 PRESSAVG: 2291600 -33.9351 64.5027 41.2978 64.5027 30.5285 8.70562 41.2979 8.70563 10.6343 GPRESSAVG: 2291600 -34.0098 64.7852 42.1202 63.6245 28.9232 8.44671 40.4832 9.63543 11.7215 TIMING: 2291600 CPU: 6641.64, 0.00291403/step Wall: 6641.64, 0.00291403/step, 2.19232 hours remaining, 209.664062 MB of memory in use. ENERGY: 2291600 779.9957 2027.6042 1945.8133 109.7623 -205673.1115 17498.2387 0.0000 0.0000 34316.5131 -148995.1842 299.6946 -183311.6973 -148905.2505 299.9759 -227.5101 -190.4135 560412.7731 2.4092 2.2116 PRESSURE: 2291800 -88.7067 -34.8707 56.1437 -34.87 182.545 -94.9643 56.1433 -94.9652 -287.139 GPRESSURE: 2291800 -32.7942 89.9024 6.7167 -132.637 163.725 -100.749 98.7317 -41.3844 -220.79 PRESSAVG: 2291800 2.81948 42.8655 -40.1312 42.8654 56.7074 10.9524 -40.1312 10.9523 -44.9528 GPRESSAVG: 2291800 3.79154 43.398 -40.7039 43.1996 56.9125 10.8454 -40.7497 10.0577 -46.2984 TIMING: 2291800 CPU: 6642.22, 0.00289375/step Wall: 6642.22, 0.00289375/step, 2.1769 hours remaining, 209.664062 MB of memory in use. ENERGY: 2291800 763.7020 2039.4684 1948.6440 106.5326 -205873.5552 17760.2795 0.0000 0.0000 34205.2877 -149049.6408 298.7233 -183254.9285 -148951.6441 300.2650 -64.4336 -29.9530 559066.9940 4.8580 4.8019 PRESSURE: 2292000 -10.8519 71.8964 149.287 71.8974 128.925 49.177 149.29 49.1778 -59.4606 GPRESSURE: 2292000 36.3252 82.9073 168.195 47.7849 112.95 101.563 114.365 7.59727 8.05523 PRESSAVG: 2292000 66.1302 -18.1657 -9.29739 -18.1656 32.8485 75.3254 -9.29753 75.3255 -80.8692 GPRESSAVG: 2292000 65.0643 -18.4004 -9.72664 -18.3183 32.8844 75.5816 -9.41723 72.6354 -80.1415 TIMING: 2292000 CPU: 6642.8, 0.00289189/step Wall: 6642.8, 0.00289189/step, 2.17535 hours remaining, 209.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2292000 717.5679 2071.9258 1929.3827 115.3776 -205976.1507 17737.6932 0.0000 0.0000 34147.4042 -149256.7994 298.2178 -183404.2036 -149161.4697 299.3648 19.5374 52.4435 559072.8030 6.0365 5.9357 PRESSURE: 2292200 88.9185 -17.1226 58.3646 -17.122 -177.301 -40.1812 58.3651 -40.1809 -175.178 GPRESSURE: 2292200 112.106 -51.4958 0.624832 -52.27 -121.249 -58.7984 131.188 16.6291 -141.569 PRESSAVG: 2292200 38.4381 10.9494 56.08 10.9493 23.1964 41.9629 56.0799 41.9631 -66.9647 GPRESSAVG: 2292200 39.8026 10.5517 55.797 12.4314 24.1553 41.0873 57.4069 42.7565 -68.9792 TIMING: 2292200 CPU: 6643.38, 0.00288391/step Wall: 6643.38, 0.00288391/step, 2.16918 hours remaining, 209.664062 MB of memory in use. ENERGY: 2292200 721.2034 2057.9366 1964.0657 112.8056 -206174.0933 17793.7096 0.0000 0.0000 34232.5438 -149291.8286 298.9613 -183524.3724 -149199.2747 299.3696 -87.8536 -50.2372 558037.9378 -1.7767 -1.6737 LDB: ============= START OF LOAD BALANCING ============== 6646.76 LDB: ============== END OF LOAD BALANCING =============== 6646.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6646.76 LDB: ============= START OF LOAD BALANCING ============== 6647.06 LDB: Largest compute 4800 load 0.022853 is 19.4% of average load 0.117946 LDB: Average compute 0.001748 is 1.5% of average load 0.117946 LDB: TIME 6647.06 LOAD: AVG 0.117946 MAX 0.179217 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.438 MB LDB: TIME 6647.06 LOAD: AVG 0.117946 MAX 0.179217 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.641 MB LDB: TIME 6647.06 LOAD: AVG 0.117946 MAX 0.179217 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.641 MB LDB: ============== END OF LOAD BALANCING =============== 6647.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6647.07 PRESSURE: 2292400 -23.9629 52.1149 27.3955 52.1139 23.8965 35.0767 27.3966 35.0754 95.0584 GPRESSURE: 2292400 -3.70539 56.1983 55.688 30.0529 66.4011 34.5072 -15.9363 73.4856 130.644 PRESSAVG: 2292400 11.1004 -70.2151 -5.47929 -70.2151 -7.06524 50.8162 -5.47938 50.8163 21.5247 GPRESSAVG: 2292400 10.3286 -69.9066 -3.72492 -69.8703 -7.60602 52.3502 -7.08189 52.0357 22.8201 TIMING: 2292400 CPU: 6643.97, 0.00295918/step Wall: 6643.97, 0.00295918/step, 2.22563 hours remaining, 211.074219 MB of memory in use. ENERGY: 2292400 763.3236 2077.9791 1937.4848 121.6781 -206409.0050 17848.3603 0.0000 0.0000 34276.5551 -149383.6239 299.3457 -183660.1791 -149289.7812 298.6800 31.6640 64.4466 555789.8618 8.5200 8.5142 PRESSURE: 2292600 -163.328 -210.233 -71.3611 -210.233 -61.0698 -155.756 -71.3615 -155.754 -351.014 GPRESSURE: 2292600 -224.104 -230.243 -31.486 -224.428 29.2372 -102.27 -20.6086 -138.297 -293.313 PRESSAVG: 2292600 7.23222 -63.1723 -10.5702 -63.1723 12.5193 17.5118 -10.5701 17.5118 21.262 GPRESSAVG: 2292600 6.63076 -63.9299 -10.9308 -63.9571 13.143 17.245 -11.3213 17.0958 21.3175 TIMING: 2292600 CPU: 6644.55, 0.00288498/step Wall: 6644.55, 0.00288498/step, 2.16967 hours remaining, 211.335938 MB of memory in use. ENERGY: 2292600 723.2805 2019.7903 1952.2402 113.0424 -205786.1837 17479.8532 0.0000 0.0000 34125.7396 -149372.2374 298.0286 -183497.9771 -149278.2298 298.8709 -191.8041 -162.7265 557099.6359 13.6712 13.6971 PRESSURE: 2292800 -57.2429 -19.3951 -166.829 -19.3956 -139.005 -45.8557 -166.83 -45.8554 174.637 GPRESSURE: 2292800 -2.70305 81.7249 -177.114 -30.8613 -156.184 -23.4575 -227.739 -19.8356 225.546 PRESSAVG: 2292800 37.2827 -59.573 -37.5096 -59.573 -15.6466 34.2216 -37.5095 34.2215 -25.7061 GPRESSAVG: 2292800 37.5417 -59.3506 -39.1775 -60.0118 -16.4241 33.6678 -36.4079 34.1589 -25.1427 TIMING: 2292800 CPU: 6645.12, 0.00287435/step Wall: 6645.12, 0.00287435/step, 2.16151 hours remaining, 211.335938 MB of memory in use. ENERGY: 2292800 738.7232 2075.3964 1961.6981 121.9295 -206444.7804 17900.9791 0.0000 0.0000 34123.3975 -149522.6566 298.0081 -183646.0541 -149426.7931 298.3099 -7.2037 22.2198 558012.5302 -1.3567 -1.3417 PRESSURE: 2293000 -67.4725 149.495 -106.158 149.494 -147.615 -48.3045 -106.158 -48.3039 -289.546 GPRESSURE: 2293000 -41.6168 145.454 -62.6101 108.096 -144.13 -53.166 -136.26 -70.1346 -208.213 PRESSAVG: 2293000 38.7393 4.19992 -25.6018 4.19981 -44.4307 4.67186 -25.6018 4.67186 -34.2778 GPRESSAVG: 2293000 39.6832 4.53195 -24.7786 4.18918 -43.4349 5.04385 -25.2706 3.84866 -35.5947 TIMING: 2293000 CPU: 6645.7, 0.00288976/step Wall: 6645.7, 0.00288976/step, 2.17294 hours remaining, 211.335938 MB of memory in use. ENERGY: 2293000 808.0330 2025.0601 1966.8119 103.0060 -206112.6158 17513.2155 0.0000 0.0000 34403.4341 -149293.0551 300.4537 -183696.4893 -149201.4867 299.2011 -168.2109 -131.3198 557119.1787 -13.3230 -13.1155 PRESSURE: 2293200 -181.38 -40.1195 -85.2993 -40.1204 -8.63536 29.2332 -85.2998 29.2327 154.801 GPRESSURE: 2293200 -130.989 -3.67991 -148.594 -39.8542 42.2124 -95.1966 -39.6746 55.5826 153.062 PRESSAVG: 2293200 -22.2358 6.75136 42.7938 6.75129 89.4482 26.1515 42.7938 26.1516 -42.5566 GPRESSAVG: 2293200 -22.5059 6.09736 42.5573 6.5199 89.4748 24.7355 42.7045 28.0409 -42.1798 TIMING: 2293200 CPU: 6646.28, 0.00289308/step Wall: 6646.28, 0.00289308/step, 2.17527 hours remaining, 211.402344 MB of memory in use. ENERGY: 2293200 781.5340 2054.6030 2005.0704 111.7276 -206282.8143 17934.2692 0.0000 0.0000 34160.2599 -149235.3502 298.3300 -183395.6102 -149140.1360 299.1968 -11.7384 21.4286 559216.3963 8.2186 8.2630 PRESSURE: 2293400 -222.824 -118.659 9.16275 -118.66 -117.377 -3.08194 9.16276 -3.0809 167.408 GPRESSURE: 2293400 -166.782 -28.3617 81.4596 -148.716 -109.235 42.779 65.0638 -22.228 213.264 PRESSAVG: 2293400 -77.8466 -68.7739 32.7235 -68.7739 42.9993 1.1969 32.7235 1.19686 65.8604 GPRESSAVG: 2293400 -77.8237 -68.4544 33.8982 -67.6162 42.6365 2.36785 33.2059 0.954515 66.2407 TIMING: 2293400 CPU: 6646.86, 0.0028916/step Wall: 6646.86, 0.0028916/step, 2.174 hours remaining, 211.402344 MB of memory in use. ENERGY: 2293400 723.9130 2114.8580 1963.1249 116.0774 -206072.7362 17764.5121 0.0000 0.0000 34233.3657 -149156.8852 298.9685 -183390.2508 -149063.1893 299.5724 -57.5976 -20.9178 558743.4952 10.3377 10.3512 PRESSURE: 2293600 28.4806 -26.3295 -57.5754 -26.3291 -151.44 -65.3697 -57.5763 -65.3695 34.3091 GPRESSURE: 2293600 24.9544 -5.52201 80.8657 -35.1228 -96.4933 -24.2106 -44.0195 -171.023 68.2115 PRESSAVG: 2293600 -53.154 -29.8259 21.2519 -29.8259 -12.2058 -4.19754 21.2517 -4.19755 62.953 GPRESSAVG: 2293600 -52.7849 -30.5608 21.1895 -31.1078 -11.7009 -4.92496 20.0297 -5.87428 62.2453 TIMING: 2293600 CPU: 6647.43, 0.00287488/step Wall: 6647.43, 0.00287488/step, 2.16127 hours remaining, 211.402344 MB of memory in use. ENERGY: 2293600 745.5252 2082.6089 1899.3623 99.1463 -206533.9321 18096.0590 0.0000 0.0000 34543.2240 -149068.0065 301.6746 -183611.2304 -148969.4553 299.2924 -29.5501 -1.1092 558095.9338 -0.8022 -0.7469 PRESSURE: 2293800 206.739 38.984 120.132 38.9833 118.267 -67.2858 120.133 -67.2841 -53.5261 GPRESSURE: 2293800 222.873 46.8049 75.1921 44.3429 183.919 -184.959 119.136 -32.7721 -34.3366 PRESSAVG: 2293800 34.1044 -14.8842 41.52 -14.8843 -43.842 -69.0502 41.52 -69.0502 35.6184 GPRESSAVG: 2293800 33.0376 -12.592 40.7391 -14.0327 -43.616 -70.4216 42.2051 -65.5359 36.6933 TIMING: 2293800 CPU: 6648.01, 0.00287804/step Wall: 6648.01, 0.00287804/step, 2.16349 hours remaining, 211.402344 MB of memory in use. ENERGY: 2293800 717.2884 2070.2555 1979.5244 107.4841 -206164.4645 17930.1703 0.0000 0.0000 34358.6542 -149001.0877 300.0627 -183359.7419 -148909.6700 300.0222 90.4933 124.1517 558974.8821 8.6269 8.7050 PRESSURE: 2294000 -112.205 90.8205 189.744 90.8196 -129.619 -16.4118 189.744 -16.4124 276.602 GPRESSURE: 2294000 -46.1587 75.6284 122.104 135.183 -113.507 -22.8833 296.769 1.97174 300.207 PRESSAVG: 2294000 -18.1938 33.8456 -1.23931 33.8456 0.260627 -56.05 -1.23929 -56.05 45.8075 GPRESSAVG: 2294000 -18.2613 31.8508 -1.49261 33.3251 0.00146755 -55.355 -2.52271 -57.5611 46.4788 TIMING: 2294000 CPU: 6648.58, 0.00286364/step Wall: 6648.58, 0.00286364/step, 2.15251 hours remaining, 211.402344 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: 2294000 756.9370 2047.5505 1925.8076 109.6059 -205854.5953 17733.4358 0.0000 0.0000 34355.1350 -148926.1234 300.0319 -183281.2584 -148834.1005 299.7453 11.5925 46.8469 558085.8397 9.2915 9.4063 PRESSURE: 2294200 -7.34077 27.8494 -97.0613 27.8495 -122.044 13.9829 -97.0609 13.983 -272.466 GPRESSURE: 2294200 -4.78292 17.1577 -181.127 112.479 -78.7441 17.5132 28.858 49.1487 -233.913 PRESSAVG: 2294200 14.6106 -20.8667 35.6621 -20.8667 -60.7348 -18.286 35.6622 -18.286 73.2453 GPRESSAVG: 2294200 15.1078 -21.8927 35.2664 -19.7196 -61.6289 -15.7044 35.7209 -18.0565 73.2401 TIMING: 2294200 CPU: 6649.16, 0.00288189/step Wall: 6649.16, 0.00288189/step, 2.16606 hours remaining, 211.402344 MB of memory in use. ENERGY: 2294200 766.3351 2105.3497 1966.5076 131.7162 -205873.1617 17608.5475 0.0000 0.0000 34151.0830 -149143.6226 298.2499 -183294.7056 -149050.7428 299.5133 -133.9502 -105.8135 557100.7797 9.0404 8.9063 PRESSURE: 2294400 -220.867 -76.1076 -75.2707 -76.1084 -189.517 191.416 -75.27 191.417 -215.071 GPRESSURE: 2294400 -154.06 -114.761 21.0151 -86.1683 -179.358 256.984 -92.6642 170.006 -190.56 PRESSAVG: 2294400 30.9636 -12.5908 -13.767 -12.5907 -56.6875 -8.14437 -13.767 -8.1444 3.9823 GPRESSAVG: 2294400 31.6198 -9.74143 -11.7023 -13.2864 -56.857 -9.14272 -13.0878 -8.87034 3.51728 TIMING: 2294400 CPU: 6649.73, 0.00289192/step Wall: 6649.73, 0.00289192/step, 2.17344 hours remaining, 211.402344 MB of memory in use. ENERGY: 2294400 749.0206 2049.4110 1958.2963 110.6725 -205578.8924 17367.6216 0.0000 0.0000 34166.3709 -149177.4995 298.3834 -183343.8705 -149080.2945 299.5037 -208.4851 -174.6591 556262.2655 -7.2472 -7.2400 PRESSURE: 2294600 163.833 74.3202 72.0814 74.32 104.366 22.5968 72.0828 22.5984 -121.575 GPRESSURE: 2294600 179.489 -55.3506 25.8599 120.315 147.472 -13.5826 126.883 102.243 -89.7415 PRESSAVG: 2294600 53.1295 37.6997 9.68425 37.6998 -61.0843 -13.5713 9.68431 -13.5713 -14.9693 GPRESSAVG: 2294600 51.8064 34.1675 7.91956 38.9571 -59.0459 -12.6533 10.4356 -12.8019 -15.8685 TIMING: 2294600 CPU: 6650.32, 0.00290765/step Wall: 6650.32, 0.00290765/step, 2.1851 hours remaining, 211.402344 MB of memory in use. ENERGY: 2294600 737.0062 2047.6074 1969.0163 117.1567 -206479.0173 17861.7951 0.0000 0.0000 34447.1405 -149299.2951 300.8354 -183746.4355 -149202.4872 298.8981 48.8749 79.0734 556606.0308 -7.6414 -7.7026 PRESSURE: 2294800 -147.275 -48.9699 165.817 -48.9692 -104.096 -159.112 165.816 -159.111 -268.629 GPRESSURE: 2294800 -105.267 -52.3402 148.354 -57.9286 -93.1359 -124.645 188.025 -128.999 -215.011 PRESSAVG: 2294800 68.9508 -6.48071 11.2099 -6.48071 -2.61542 8.37603 11.2099 8.37608 -51.853 GPRESSAVG: 2294800 70.7844 -4.32003 11.1535 -9.35168 -5.21229 8.99287 10.3319 4.79158 -51.0061 TIMING: 2294800 CPU: 6650.9, 0.00289995/step Wall: 6650.9, 0.00289995/step, 2.17915 hours remaining, 211.402344 MB of memory in use. ENERGY: 2294800 737.1099 1995.9971 1965.0781 114.3141 -205910.1365 17536.9795 0.0000 0.0000 34201.0513 -149359.6064 298.6863 -183560.6577 -149266.6861 298.5038 -173.3334 -137.8045 558438.8702 4.8275 4.8553 PRESSURE: 2295000 178.582 -101.901 140.384 -101.902 -130.565 -54.0113 140.385 -54.011 28.7298 GPRESSURE: 2295000 169.538 -74.9475 185.524 -104.592 -83.6522 23.623 118.538 -143.579 77.5378 PRESSAVG: 2295000 39.8924 22.8711 53.3849 22.8711 -10.7632 -2.68773 53.3849 -2.68768 -45.9502 GPRESSAVG: 2295000 37.1732 22.4904 54.6736 24.507 -8.47519 -4.27835 53.9401 -1.32489 -46.2164 TIMING: 2295000 CPU: 6651.48, 0.00290222/step Wall: 6651.48, 0.00290222/step, 2.18069 hours remaining, 211.402344 MB of memory in use. ENERGY: 2295000 744.4065 2050.0564 1952.9093 114.1454 -206199.1066 17934.9654 0.0000 0.0000 34029.4021 -149373.2215 297.1872 -183402.6236 -149279.6646 299.0016 25.5821 54.4746 557882.1590 -5.6070 -5.8395 PRESSURE: 2295200 119.843 -103.802 121.436 -103.801 126.155 3.94526 121.435 3.94297 -51.9046 GPRESSURE: 2295200 174.428 -152.212 27.5937 -69.121 142.729 90.0852 126.661 0.2033 -5.65631 PRESSAVG: 2295200 -10.6724 41.0471 15.2853 41.047 29.6938 35.9454 15.2852 35.9453 -1.98551 GPRESSAVG: 2295200 -9.24789 39.9063 15.9591 42.3547 29.0354 35.98 12.8795 37.1295 -3.01143 TIMING: 2295200 CPU: 6652.06, 0.00289495/step Wall: 6652.06, 0.00289495/step, 2.17507 hours remaining, 211.402344 MB of memory in use. ENERGY: 2295200 736.6834 2079.1747 1954.7627 105.3719 -206670.3411 18150.2003 0.0000 0.0000 34318.3743 -149325.7738 299.7109 -183644.1481 -149228.5253 299.5247 64.6979 103.8338 559294.4880 5.6786 5.5920 PRESSURE: 2295400 -106.469 101.42 -35.1204 101.42 164.09 -211.842 -35.1195 -211.842 148.06 GPRESSURE: 2295400 -19.0635 73.5399 37.2233 71.0801 195.28 -327.867 -120.762 -196.369 141.383 PRESSAVG: 2295400 21.7655 -2.67865 18.9361 -2.67856 -18.6237 -19.9533 18.9362 -19.9533 -34.4152 GPRESSAVG: 2295400 21.8791 -2.07284 20.582 -3.80484 -18.6666 -20.0156 20.5478 -19.3922 -34.0582 TIMING: 2295400 CPU: 6652.64, 0.00289749/step Wall: 6652.64, 0.00289749/step, 2.17682 hours remaining, 211.402344 MB of memory in use. ENERGY: 2295400 769.9674 2045.1065 1953.6424 110.1544 -206621.4064 17987.6039 0.0000 0.0000 34390.9016 -149364.0302 300.3443 -183754.9318 -149268.1256 298.7892 68.5602 105.8668 556163.9318 -10.4245 -10.2819 PRESSURE: 2295600 -104.496 -64.6951 -32.0824 -64.6962 79.8553 -81.0629 -32.0816 -81.0614 -121.909 GPRESSURE: 2295600 -49.8879 -120.946 -3.70712 -62.5703 87.1024 32.8128 10.1878 -140.617 -97.2722 PRESSAVG: 2295600 -47.5832 -20.952 -1.775 -20.9522 -5.99703 -9.77234 -1.77499 -9.77239 56.5174 GPRESSAVG: 2295600 -47.6967 -21.2595 -4.35541 -19.8571 -5.86859 -9.18466 -1.57023 -11.4886 56.3902 TIMING: 2295600 CPU: 6653.21, 0.00288913/step Wall: 6653.21, 0.00288913/step, 2.17038 hours remaining, 211.402344 MB of memory in use. ENERGY: 2295600 767.0203 2071.8039 1943.2524 112.3036 -205952.9033 17652.4705 0.0000 0.0000 34124.5833 -149281.4693 298.0185 -183406.0526 -149187.0803 298.4189 -48.8498 -20.0192 557388.2850 0.9791 0.9416 PRESSURE: 2295800 -6.81887 122.55 70.0812 122.55 -2.42364 35.2896 70.0822 35.2882 30.7297 GPRESSURE: 2295800 19.0585 60.3286 70.9386 97.326 79.5665 84.0241 20.3332 69.0713 11.0692 PRESSAVG: 2295800 -15.2795 -39.3477 5.93162 -39.3478 49.4604 -12.4971 5.93166 -12.497 -5.15084 GPRESSAVG: 2295800 -16.0723 -40.7336 6.25094 -38.6018 50.3313 -12.957 5.63927 -11.8344 -5.49531 TIMING: 2295800 CPU: 6653.79, 0.00289847/step Wall: 6653.79, 0.00289847/step, 2.17724 hours remaining, 211.402344 MB of memory in use. ENERGY: 2295800 725.0244 2089.0134 1945.7688 118.9425 -206028.1907 17780.7469 0.0000 0.0000 34118.1696 -149250.5251 297.9625 -183368.6947 -149153.1398 299.3313 7.1624 36.5647 557970.3324 9.6767 9.5879 PRESSURE: 2296000 144.919 -65.374 38.0429 -65.375 93.7887 14.9941 38.0433 14.996 228.431 GPRESSURE: 2296000 197.274 -6.64119 -62.0804 -94.5882 139.207 -22.3152 -13.1122 -12.187 223.008 PRESSAVG: 2296000 -117.472 -10.9248 17.3983 -10.9248 94.1266 -15.2542 17.3984 -15.2542 55.0719 GPRESSAVG: 2296000 -117.023 -7.85256 16.4325 -13.7839 93.6104 -13.4376 16.9978 -15.6353 54.8319 TIMING: 2296000 CPU: 6654.37, 0.00290567/step Wall: 6654.37, 0.00290567/step, 2.18248 hours remaining, 211.402344 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: 2296000 691.2240 2017.9001 1984.0022 128.0274 -206482.0688 18048.7632 0.0000 0.0000 34270.8930 -149341.2589 299.2962 -183612.1519 -149246.3284 299.0435 155.7128 186.4961 557745.0273 10.5754 10.4732 PRESSURE: 2296200 -459.346 36.2905 -183.647 36.2892 -79.4142 16.0014 -183.648 16.0026 -445.293 GPRESSURE: 2296200 -481.386 20.3364 -186.623 15.7458 -34.123 102.72 -141.244 81.5848 -377.486 PRESSAVG: 2296200 11.464 -16.1686 -13.5155 -16.1686 -20.6 19.3565 -13.5156 19.3565 16.4424 GPRESSAVG: 2296200 11.3904 -15.9121 -13.3765 -14.8255 -21.338 18.3617 -13.3096 20.0339 17.6488 TIMING: 2296200 CPU: 6654.96, 0.00292654/step Wall: 6654.96, 0.00292654/step, 2.19799 hours remaining, 211.402344 MB of memory in use. ENERGY: 2296200 715.9006 2070.3315 1999.5456 111.3252 -206179.7244 17504.7844 0.0000 0.0000 34255.3380 -149522.4992 299.1604 -183777.8372 -149435.7242 298.8332 -328.0176 -297.6650 559442.0214 2.4355 2.5671 LDB: ============= START OF LOAD BALANCING ============== 6658.35 LDB: ============== END OF LOAD BALANCING =============== 6658.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6658.35 LDB: ============= START OF LOAD BALANCING ============== 6658.64 LDB: Largest compute 4800 load 0.023799 is 20.2% of average load 0.117863 LDB: Average compute 0.001752 is 1.5% of average load 0.117863 LDB: TIME 6658.64 LOAD: AVG 0.117863 MAX 0.177331 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.02 MB LDB: TIME 6658.64 LOAD: AVG 0.117863 MAX 0.177331 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.02 MB LDB: TIME 6658.64 LOAD: AVG 0.117863 MAX 0.177331 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.02 MB LDB: ============== END OF LOAD BALANCING =============== 6658.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6658.65 PRESSURE: 2296400 -279.165 41.1137 -155.838 41.1136 -127.998 132.648 -155.838 132.649 -43.7653 GPRESSURE: 2296400 -276.127 21.9266 -159.166 -38.9585 -48.4633 97.2774 -139.908 161.659 -33.713 PRESSAVG: 2296400 8.01056 56.6732 -39.2814 56.6731 6.13966 40.7006 -39.2814 40.7007 -15.2515 GPRESSAVG: 2296400 8.47512 56.4739 -38.8374 56.7118 5.55515 39.5852 -38.9018 40.1893 -15.304 TIMING: 2296400 CPU: 6655.55, 0.00295824/step Wall: 6655.55, 0.00295824/step, 2.22164 hours remaining, 207.699219 MB of memory in use. ENERGY: 2296400 749.4709 2125.7090 1952.9265 121.2365 -206415.6129 17850.1116 0.0000 0.0000 34157.5128 -149458.6456 298.3061 -183616.1584 -149362.1121 298.6230 -150.3096 -119.4344 559017.8621 -0.3671 -0.4246 PRESSURE: 2296600 -171.889 -111.316 -54.5934 -111.315 57.6033 -81.9351 -54.594 -81.9352 -84.34 GPRESSURE: 2296600 -144.375 -13.3413 -28.1257 -72.7265 51.6243 -6.182 -32.6682 -74.8661 -6.8004 PRESSAVG: 2296600 -33.5581 -14.7843 -44.9649 -14.7844 50.3354 67.6967 -44.9648 67.6966 -13.5808 GPRESSAVG: 2296600 -35.1486 -15.8847 -45.0559 -12.3125 51.4131 69.1925 -45.2637 66.9452 -13.12 TIMING: 2296600 CPU: 6656.13, 0.00290701/step Wall: 6656.13, 0.00290701/step, 2.18301 hours remaining, 207.699219 MB of memory in use. ENERGY: 2296600 739.8181 2069.4104 1979.0568 118.5662 -206316.1019 17805.0403 0.0000 0.0000 34213.9326 -149390.2776 298.7988 -183604.2101 -149292.8143 298.5345 -66.2086 -33.1837 558828.7730 1.0655 1.0481 PRESSURE: 2296800 -214.637 -125.126 105.675 -125.127 -187.808 40.8224 105.675 40.8219 -23.7953 GPRESSURE: 2296800 -240.885 -143.876 113.096 -150.612 -69.6065 44.2665 33.2401 16.3503 -18.7893 PRESSAVG: 2296800 -4.74869 -11.8387 -23.5019 -11.8386 -13.3595 -8.83014 -23.5019 -8.83006 28.7175 GPRESSAVG: 2296800 -3.5095 -13.2653 -23.4924 -12.2607 -13.6563 -9.10088 -21.033 -8.86303 27.7744 TIMING: 2296800 CPU: 6656.71, 0.00291458/step Wall: 6656.71, 0.00291458/step, 2.18852 hours remaining, 207.699219 MB of memory in use. ENERGY: 2296800 726.4658 2052.5367 1985.2205 110.9671 -205988.2688 17564.2906 0.0000 0.0000 34234.9025 -149313.8856 298.9819 -183548.7881 -149212.8976 299.3070 -142.0803 -109.7601 558075.5263 3.5364 3.5362 PRESSURE: 2297000 -155.881 51.4484 18.1185 51.4495 130.89 40.5883 18.1184 40.5892 -79.9959 GPRESSURE: 2297000 -75.0223 9.16433 -80.547 -30.9586 181.394 105.094 61.1246 22.2943 -113.485 PRESSAVG: 2297000 -55.8702 -64.2538 -2.59768 -64.2539 66.0522 -57.7797 -2.59776 -57.7797 19.4528 GPRESSAVG: 2297000 -56.0346 -61.406 -2.35054 -65.4005 66.0463 -56.4654 -6.03347 -56.7907 19.2553 TIMING: 2297000 CPU: 6657.3, 0.00291882/step Wall: 6657.3, 0.00291882/step, 2.19155 hours remaining, 207.699219 MB of memory in use. ENERGY: 2297000 784.4445 2125.0608 1928.9633 120.3277 -206242.6633 17801.0533 0.0000 0.0000 33976.3372 -149506.4766 296.7238 -183482.8138 -149403.6098 298.6796 -34.9955 -2.3711 557650.6242 9.8783 9.7557 PRESSURE: 2297200 -139.608 13.8407 28.0742 13.8407 98.2705 248.373 28.0744 248.374 -355.73 GPRESSURE: 2297200 -136.21 -46.8736 -34.69 50.5157 217.581 258.752 108.737 230.796 -386.166 PRESSAVG: 2297200 -11.9795 6.82711 12.1413 6.82713 28.0533 -13.6986 12.1414 -13.6986 -6.88959 GPRESSAVG: 2297200 -10.8922 6.73655 11.7305 7.18204 28.6187 -16.1185 13.3006 -12.7749 -7.92539 TIMING: 2297200 CPU: 6657.88, 0.0029113/step Wall: 6657.88, 0.0029113/step, 2.18574 hours remaining, 207.699219 MB of memory in use. ENERGY: 2297200 727.2857 2118.4862 1943.7006 98.8235 -206144.0898 17584.0071 0.0000 0.0000 34127.0557 -149544.7309 298.0401 -183671.7866 -149444.0004 297.8313 -132.3558 -101.5987 557162.7929 3.0614 3.2670 PRESSURE: 2297400 39.2784 35.0645 27.0933 35.0644 46.1292 -28.4296 27.0932 -28.4296 253.098 GPRESSURE: 2297400 110.068 45.5096 -10.9717 116.96 60.9306 -45.9394 99.5831 -89.6227 271.184 PRESSAVG: 2297400 59.5101 -31.9263 33.3928 -31.9263 7.20085 4.8622 33.3928 4.86229 -46.1597 GPRESSAVG: 2297400 58.6964 -34.5456 34.8729 -29.5534 6.52535 2.42788 32.6146 5.23302 -45.2524 TIMING: 2297400 CPU: 6658.46, 0.00288645/step Wall: 6658.46, 0.00288645/step, 2.16692 hours remaining, 207.898438 MB of memory in use. ENERGY: 2297400 754.8864 2060.5953 1939.0344 109.4387 -206463.2466 18092.1044 0.0000 0.0000 34068.6945 -149438.4927 297.5304 -183507.1873 -149343.3511 298.6906 112.8353 147.3941 557518.0437 6.8504 6.6565 PRESSURE: 2297600 -34.361 -32.4658 179.852 -32.4657 63.9702 17.3962 179.852 17.3978 -202.43 GPRESSURE: 2297600 -82.3825 24.4913 186.606 -76.6401 120.873 1.61665 199.701 -7.6425 -114.85 PRESSAVG: 2297600 43.397 -49.53 63.3852 -49.53 -25.761 24.4478 63.3851 24.4478 -34.5274 GPRESSAVG: 2297600 43.9068 -48.5082 61.3465 -50.8956 -25.4805 26.0599 63.4781 22.3205 -34.9245 TIMING: 2297600 CPU: 6659.03, 0.00287575/step Wall: 6659.03, 0.00287575/step, 2.15873 hours remaining, 207.898438 MB of memory in use. ENERGY: 2297600 737.1396 2128.9281 1956.6311 112.3103 -206429.2447 17772.1145 0.0000 0.0000 34132.1487 -149589.9723 298.0845 -183722.1210 -149498.3857 298.8049 -57.6070 -25.4530 558061.4970 -5.6305 -5.4994 PRESSURE: 2297800 50.8565 -141.504 28.1429 -141.503 182.234 105.47 28.1417 105.468 -52.0654 GPRESSURE: 2297800 67.9112 -157.413 33.391 -77.991 196.022 127.114 26.0385 46.387 13.3259 PRESSAVG: 2297800 -42.711 -24.6955 39.7676 -24.6954 61.0839 17.087 39.7676 17.087 -10.57 GPRESSAVG: 2297800 -43.9034 -22.7893 39.1637 -25.292 62.2833 16.1103 40.7069 19.8888 -10.2806 TIMING: 2297800 CPU: 6659.61, 0.00289582/step Wall: 6659.61, 0.00289582/step, 2.17363 hours remaining, 207.898438 MB of memory in use. ENERGY: 2297800 734.9785 2131.6444 1946.1717 118.7414 -206500.1248 17745.5984 0.0000 0.0000 34337.9548 -149485.0356 299.8819 -183822.9904 -149388.1174 298.6086 60.3418 92.4198 555811.9628 2.6010 2.6998 PRESSURE: 2298000 -43.1819 207.276 -18.3308 207.277 123.168 195.052 -18.3306 195.052 104.451 GPRESSURE: 2298000 -57.6631 217.212 13.8741 196.655 194.528 145.02 15.081 177.914 150.138 PRESSAVG: 2298000 -53.1994 -2.92751 20.2214 -2.92746 -0.304106 1.40736 20.2214 1.40738 12.9719 GPRESSAVG: 2298000 -52.1006 -1.69986 21.0366 -4.46791 -1.02616 3.52907 18.4059 -0.391713 12.6658 TIMING: 2298000 CPU: 6660.19, 0.0029116/step Wall: 6660.19, 0.0029116/step, 2.18531 hours remaining, 207.898438 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: 2298000 736.9271 2104.5768 1963.4154 106.6782 -206719.7108 18004.8059 0.0000 0.0000 34257.2594 -149546.0480 299.1772 -183803.3075 -149457.7366 298.7573 61.4791 95.6675 555721.0044 -13.5105 -13.4870 PRESSURE: 2298200 206.188 29.4945 -23.4772 29.4934 -156.759 -209.084 -23.4773 -209.086 -43.795 GPRESSURE: 2298200 224.103 -21.8446 -29.8773 31.7314 -69.219 -222.277 -0.463026 -34.8551 -67.6409 PRESSAVG: 2298200 -57.4828 -32.5249 2.30119 -32.525 13.8032 -31.1988 2.30117 -31.1987 36.4898 GPRESSAVG: 2298200 -57.072 -33.7431 2.65312 -31.8708 12.9531 -31.2641 3.85887 -31.4576 37.3024 TIMING: 2298200 CPU: 6660.78, 0.00291185/step Wall: 6660.78, 0.00291185/step, 2.18535 hours remaining, 207.898438 MB of memory in use. ENERGY: 2298200 737.7367 2127.9522 1953.0535 114.5228 -206478.7739 17764.8313 0.0000 0.0000 34379.3963 -149401.2811 300.2438 -183780.6774 -149295.1884 299.0078 1.8778 29.0810 556974.8643 -2.3966 -2.2722 PRESSURE: 2298400 258.972 -211.107 43.9925 -211.105 -7.8461 111.713 43.9918 111.711 136.913 GPRESSURE: 2298400 241.852 -120.881 104.568 -175.113 33.931 120.332 60.0976 67.766 220.341 PRESSAVG: 2298400 48.3091 -30.8125 -21.7894 -30.8125 -25.5887 -20.4763 -21.7894 -20.4764 10.9749 GPRESSAVG: 2298400 47.942 -31.5542 -21.7809 -29.0447 -24.9108 -22.2033 -21.2118 -21.3352 10.4621 TIMING: 2298400 CPU: 6661.36, 0.00291048/step Wall: 6661.36, 0.00291048/step, 2.18415 hours remaining, 207.898438 MB of memory in use. ENERGY: 2298400 741.7211 2158.7354 1973.9396 129.3511 -206831.2719 18224.8253 0.0000 0.0000 34279.8182 -149322.8811 299.3742 -183602.6993 -149235.8070 298.8326 129.3464 165.3747 557838.3271 11.2318 11.1644 PRESSURE: 2298600 102.288 -32.7596 16.8957 -32.7586 -152.684 19.4904 16.8963 19.491 -96.1646 GPRESSURE: 2298600 124.685 -59.8303 20.0031 -47.9836 -73.3551 -23.9333 11.7463 40.0845 -99.9328 PRESSAVG: 2298600 59.9088 -18.5305 31.1528 -18.5305 -51.7624 -12.0481 31.1527 -12.0481 -22.4606 GPRESSAVG: 2298600 59.3543 -18.8355 30.697 -20.163 -51.8604 -11.0537 29.5832 -10.1115 -22.0096 TIMING: 2298600 CPU: 6661.94, 0.00289034/step Wall: 6661.94, 0.00289034/step, 2.16888 hours remaining, 207.898438 MB of memory in use. ENERGY: 2298600 728.4380 2134.0352 1962.2042 108.6812 -205975.9050 17627.8237 0.0000 0.0000 34201.6282 -149213.0945 298.6913 -183414.7228 -149119.1368 299.2024 -48.8535 -16.2010 557172.9937 -4.7714 -4.8386 PRESSURE: 2298800 83.0472 -121.708 25.4751 -121.708 -194.607 34.549 25.4761 34.5472 -88.8197 GPRESSURE: 2298800 150.587 -128.015 6.85831 -78.3095 -197.431 41.941 69.1476 -36.6784 -56.6566 PRESSAVG: 2298800 17.4512 20.9801 38.2807 20.98 70.8483 -40.0632 38.2808 -40.0633 -91.5662 GPRESSAVG: 2298800 17.9669 21.8649 38.0008 21.5565 70.7269 -41.3345 39.2412 -39.4897 -91.9759 TIMING: 2298800 CPU: 6662.52, 0.00290193/step Wall: 6662.52, 0.00290193/step, 2.17742 hours remaining, 207.898438 MB of memory in use. ENERGY: 2298800 741.5881 2129.9580 1954.8887 114.3762 -206286.1331 17968.3367 0.0000 0.0000 34127.8934 -149249.0920 298.0474 -183376.9853 -149151.6694 298.7443 -66.7931 -34.5001 558428.7626 -1.0889 -1.0940 PRESSURE: 2299000 -30.3516 85.0941 38.7353 85.093 -125.515 24.8023 38.7355 24.8031 93.1519 GPRESSURE: 2299000 48.9924 46.0383 -73.1396 83.586 -78.3356 -32.6707 54.9251 79.4153 68.4954 PRESSAVG: 2299000 -17.8202 35.2035 43.5675 35.2036 -6.29096 -20.3107 43.5675 -20.3108 -13.0861 GPRESSAVG: 2299000 -17.5669 35.5834 44.1876 34.4104 -7.72237 -20.1215 42.9931 -20.7264 -11.6506 TIMING: 2299000 CPU: 6663.1, 0.00289895/step Wall: 6663.1, 0.00289895/step, 2.17502 hours remaining, 207.898438 MB of memory in use. ENERGY: 2299000 731.3005 2077.4312 1953.0583 108.5970 -206017.0882 17740.5092 0.0000 0.0000 34303.8513 -149102.3408 299.5841 -183406.1921 -149007.0831 299.0893 -20.9049 13.0508 557486.4671 -12.3991 -12.3133 PRESSURE: 2299200 143.783 -200.82 -24.218 -200.82 -140.104 -163.405 -24.2183 -163.406 75.2327 GPRESSURE: 2299200 170.809 -139.689 -82.0724 -208.183 -93.7766 -113.739 -63.5213 -163.365 104.347 PRESSAVG: 2299200 -68.5169 46.7984 -27.4349 46.7983 10.5322 9.39351 -27.435 9.39355 66.8457 GPRESSAVG: 2299200 -68.053 45.521 -28.5726 47.5236 10.8248 9.28522 -25.8434 9.60247 66.4142 TIMING: 2299200 CPU: 6663.68, 0.00291022/step Wall: 6663.68, 0.00291022/step, 2.18331 hours remaining, 207.898438 MB of memory in use. ENERGY: 2299200 719.1850 2133.4436 1984.9892 112.5268 -206186.9726 17690.6303 0.0000 0.0000 34444.3194 -149101.8783 300.8108 -183546.1977 -149001.0770 299.8054 26.3036 60.4596 558154.8873 2.9537 3.0620 PRESSURE: 2299400 163.595 -113.157 -41.8074 -113.158 34.9915 45.6114 -41.8069 45.6107 90.7029 GPRESSURE: 2299400 265.189 -135.345 -95.2349 -64.3805 27.3895 78.6249 -79.6375 113.131 98.482 PRESSAVG: 2299400 81.4743 -83.2508 -17.215 -83.2508 -22.6382 -12.0932 -17.2149 -12.0933 -32.9144 GPRESSAVG: 2299400 81.7148 -82.0457 -14.5577 -82.805 -23.2157 -10.6758 -18.8986 -12.5622 -32.2853 TIMING: 2299400 CPU: 6664.26, 0.00289576/step Wall: 6664.26, 0.00289576/step, 2.1723 hours remaining, 207.898438 MB of memory in use. ENERGY: 2299400 745.5707 2058.7310 1941.0867 117.0802 -206112.3600 17777.1182 0.0000 0.0000 34406.6926 -149066.0806 300.4822 -183472.7732 -148964.1485 299.8595 96.4299 130.3535 556932.6942 8.6406 8.7379 PRESSURE: 2299600 24.5382 -228.225 9.22072 -228.225 -5.22078 -4.56505 9.22134 -4.56511 88.376 GPRESSURE: 2299600 97.5002 -238.043 -23.4634 -237.238 -61.4545 -77.1457 -83.6976 25.9608 172.053 PRESSAVG: 2299600 41.1489 -34.8942 -21.3389 -34.8942 -49.504 60.766 -21.3389 60.7659 3.91918 GPRESSAVG: 2299600 42.6397 -34.5962 -22.7065 -35.7716 -49.5159 56.5988 -21.8234 62.1269 2.59187 TIMING: 2299600 CPU: 6664.84, 0.00291825/step Wall: 6664.84, 0.00291825/step, 2.18901 hours remaining, 207.898438 MB of memory in use. ENERGY: 2299600 773.9350 2114.9466 1954.5315 139.8702 -206293.8918 17893.1793 0.0000 0.0000 34363.5233 -149053.9058 300.1052 -183417.4291 -148965.6199 300.0851 35.8978 69.3663 556445.0738 -1.4786 -1.4281 PRESSURE: 2299800 179.962 -83.7403 9.60084 -83.7403 82.5951 9.67784 9.6003 9.67945 43.772 GPRESSURE: 2299800 187.415 -97.2284 -33.1658 -48.5531 164.304 53.9255 62.9083 112.027 52.0069 PRESSAVG: 2299800 75.2185 -4.88834 3.42327 -4.8883 -24.0368 28.2579 3.42319 28.2578 -47.338 GPRESSAVG: 2299800 74.7854 -4.79758 2.63833 -7.81564 -25.001 29.8543 4.64199 26.5971 -46.09 TIMING: 2299800 CPU: 6665.42, 0.0028982/step Wall: 6665.42, 0.0028982/step, 2.17381 hours remaining, 207.898438 MB of memory in use. ENERGY: 2299800 759.3655 2148.5112 1971.5700 97.8190 -206216.3387 17850.1959 0.0000 0.0000 34414.8342 -148974.0427 300.5533 -183388.8770 -148872.1864 300.0577 102.1096 134.5752 556190.6080 1.2812 1.2314 WRITING COORDINATES TO DCD FILE MD.2.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: 2300000 141.464 62.2861 112.507 62.2868 135.892 -126.903 112.506 -126.904 58.6989 GPRESSURE: 2300000 178.083 9.92431 110.865 74.3999 141.815 -117.872 65.9747 -136.517 112.526 PRESSAVG: 2300000 62.3277 39.6166 -36.0805 39.6167 29.3155 -16.9475 -36.0805 -16.9474 -42.2181 GPRESSAVG: 2300000 62.2217 39.9924 -36.6477 42.1935 30.4269 -15.8172 -34.8393 -16.5894 -43.2789 TIMING: 2300000 CPU: 6666.02, 0.00300226/step Wall: 6666.02, 0.00300226/step, 2.2517 hours remaining, 207.898438 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: 2300000 754.3499 2123.2269 1933.9337 107.6525 -206615.0802 17929.5406 0.0000 0.0000 34563.1213 -149203.2553 301.8483 -183766.3766 -149102.5758 300.1139 112.0182 144.1413 555792.6134 16.4750 16.4566 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 PRESSURE: 2300200 -111.463 43.0628 9.41475 43.0621 -70.3719 -178.399 9.41562 -178.399 -261.224 GPRESSURE: 2300200 -149.529 62.5458 -42.1188 143.796 -3.99575 -75.1608 5.35066 -290.48 -196.385 PRESSAVG: 2300200 -54.8118 3.37761 -5.59781 3.37746 71.2188 42.8827 -5.59775 42.8827 -1.02089 GPRESSAVG: 2300200 -55.1681 4.05397 -5.14877 3.29593 71.996 43.4736 -6.25252 41.5389 -0.928571 TIMING: 2300200 CPU: 6666.61, 0.00292356/step Wall: 6666.61, 0.00292356/step, 2.19251 hours remaining, 207.898438 MB of memory in use. ENERGY: 2300200 750.8336 2063.5241 1926.7574 105.6076 -205866.0444 17470.9133 0.0000 0.0000 34332.4140 -149215.9945 299.8335 -183548.4085 -149121.8787 299.8190 -147.6862 -116.6366 557546.4412 5.1287 5.2998 LDB: ============= START OF LOAD BALANCING ============== 6669.99 LDB: ============== END OF LOAD BALANCING =============== 6669.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6669.99 LDB: ============= START OF LOAD BALANCING ============== 6670.28 LDB: Largest compute 4800 load 0.022790 is 19.3% of average load 0.117847 LDB: Average compute 0.001753 is 1.5% of average load 0.117847 LDB: TIME 6670.28 LOAD: AVG 0.117847 MAX 0.179723 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 6670.28 LOAD: AVG 0.117847 MAX 0.179723 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: TIME 6670.28 LOAD: AVG 0.117847 MAX 0.179723 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: ============== END OF LOAD BALANCING =============== 6670.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6670.29 PRESSURE: 2300400 202.867 -21.4881 113.439 -21.4879 243.319 12.9737 113.44 12.9743 -15.9925 GPRESSURE: 2300400 210.25 -5.47977 59.8407 3.93528 302.766 -26.6053 154.281 -29.4966 11.565 PRESSAVG: 2300400 9.66776 -23.8568 8.32621 -23.8567 15.7328 -9.8495 8.32627 -9.84937 6.2765 GPRESSAVG: 2300400 8.71786 -24.3992 10.0753 -24.5271 17.094 -8.39189 7.9837 -9.46372 6.15574 TIMING: 2300400 CPU: 6667.19, 0.00292671/step Wall: 6667.19, 0.00292671/step, 2.19471 hours remaining, 209.421875 MB of memory in use. ENERGY: 2300400 732.7553 2012.8023 1938.7655 110.1252 -206502.9244 18133.8547 0.0000 0.0000 34282.5444 -149292.0772 299.3980 -183574.6216 -149197.3182 299.1682 143.3979 174.8601 556866.2262 10.5590 10.6559 PRESSURE: 2300600 -153.231 60.8904 49.9041 60.8907 65.762 39.4836 49.904 39.4831 90.1924 GPRESSURE: 2300600 -126.657 50.4208 16.599 94.1732 111.916 -21.806 42.8229 109.792 123.232 PRESSAVG: 2300600 12.96 13.4852 -38.7158 13.4853 7.86444 2.00928 -38.7158 2.00928 -24.869 GPRESSAVG: 2300600 14.0999 11.8833 -38.8687 14.781 7.47585 1.557 -40.2433 1.48426 -24.6534 TIMING: 2300600 CPU: 6667.77, 0.00287099/step Wall: 6667.77, 0.00287099/step, 2.15276 hours remaining, 209.421875 MB of memory in use. ENERGY: 2300600 726.9991 2044.6633 1927.2960 116.8291 -205637.6787 17534.4439 0.0000 0.0000 34114.5641 -149172.8832 297.9310 -183287.4473 -149079.8650 299.2702 0.9077 36.1637 557821.6640 -1.3482 -1.0259 PRESSURE: 2300800 205.503 40.4444 156.655 40.4447 211.219 -9.01416 156.654 -9.01518 238.849 GPRESSURE: 2300800 267.867 10.3013 262.181 76.12 270.921 14.4686 145.764 -81.2834 215.838 PRESSAVG: 2300800 31.0497 0.600969 28.8129 0.600965 -28.3033 -18.4883 28.813 -18.4884 -0.739046 GPRESSAVG: 2300800 32.0072 0.545715 27.8067 -1.28021 -29.2897 -21.0829 30.0333 -16.0531 -0.461164 TIMING: 2300800 CPU: 6668.34, 0.00288308/step Wall: 6668.34, 0.00288308/step, 2.16167 hours remaining, 209.421875 MB of memory in use. ENERGY: 2300800 687.9372 2085.2705 1936.8136 121.5128 -206325.1255 17930.7120 0.0000 0.0000 34527.3074 -149035.5720 301.5356 -183562.8794 -148944.3763 299.6996 218.5237 251.5419 555421.3678 0.6691 0.7521 PRESSURE: 2301000 -90.228 2.08734 220.505 2.08722 153.325 199.938 220.503 199.938 -34.7021 GPRESSURE: 2301000 -40.5781 48.344 192.893 49.8845 223.811 155.164 248.699 230.822 -55.4121 PRESSAVG: 2301000 54.2018 63.6081 15.1642 63.6081 9.82926 38.5864 15.1643 38.5863 -51.6266 GPRESSAVG: 2301000 52.8768 64.4256 15.8851 64.864 10.6638 38.1842 15.372 35.7144 -51.0881 TIMING: 2301000 CPU: 6668.92, 0.00290069/step Wall: 6668.92, 0.00290069/step, 2.17471 hours remaining, 209.421875 MB of memory in use. ENERGY: 2301000 809.5105 2085.7727 1941.8699 109.5695 -206283.6326 17834.9533 0.0000 0.0000 34492.5874 -149009.3693 301.2323 -183501.9566 -148913.8939 299.9256 9.4651 42.6068 554948.8469 4.1348 4.1508 PRESSURE: 2301200 172.916 87.3768 -109.052 87.3767 216.727 192.594 -109.052 192.593 208.37 GPRESSURE: 2301200 197.426 145.459 -22.0504 58.1454 244.476 277.356 -87.6842 172.245 243.919 PRESSAVG: 2301200 -49.4402 -18.2372 54.0874 -18.2372 30.6889 114.606 54.0874 114.606 44.9577 GPRESSAVG: 2301200 -48.8478 -17.8687 54.357 -18.1213 30.7709 117.316 53.6086 116.376 44.0868 TIMING: 2301200 CPU: 6669.51, 0.00290756/step Wall: 6669.51, 0.00290756/step, 2.1797 hours remaining, 209.421875 MB of memory in use. ENERGY: 2301200 741.0139 2111.1863 1965.3544 110.1649 -206224.1625 17910.1700 0.0000 0.0000 34421.9045 -148964.3686 300.6151 -183386.2731 -148871.1119 300.7588 199.3375 228.6069 554156.7723 8.7355 8.6700 PRESSURE: 2301400 -275.413 -157.268 -31.6953 -157.268 178.543 83.0644 -31.6952 83.0665 -138.631 GPRESSURE: 2301400 -157.99 -176.023 -106.318 -136.222 170.123 -2.63396 54.3605 144.06 -158.361 PRESSAVG: 2301400 -20.605 -41.6888 -21.8371 -41.6887 -7.20078 61.1216 -21.837 61.1217 -10.621 GPRESSAVG: 2301400 -21.0661 -44.1163 -21.6176 -41.227 -7.64882 57.9666 -22.7117 61.1326 -10.1245 TIMING: 2301400 CPU: 6670.08, 0.00289275/step Wall: 6670.08, 0.00289275/step, 2.16844 hours remaining, 209.421875 MB of memory in use. ENERGY: 2301400 734.8859 2115.9954 1959.2288 115.9499 -205695.8662 17452.3646 0.0000 0.0000 34173.7731 -149143.6685 298.4481 -183317.4416 -149047.4146 299.8737 -78.5002 -48.7427 555732.6276 -12.8089 -12.9465 PRESSURE: 2301600 102.796 67.9036 156.159 67.9036 -11.1869 16.8834 156.159 16.8833 89.4323 GPRESSURE: 2301600 106.836 12.5726 109.457 -32.3229 19.7639 46.9148 141.557 9.60963 149.174 PRESSAVG: 2301600 14.9718 -69.0011 9.27593 -69.0012 -52.7805 -45.6064 9.27589 -45.6064 -15.5535 GPRESSAVG: 2301600 15.2805 -68.9482 6.90573 -69.4667 -52.9402 -44.8821 11.2306 -45.7923 -16.0111 TIMING: 2301600 CPU: 6670.66, 0.00289383/step Wall: 6670.66, 0.00289383/step, 2.16909 hours remaining, 209.421875 MB of memory in use. ENERGY: 2301600 735.7307 2061.7665 1979.6156 112.5485 -206205.1156 17780.6297 0.0000 0.0000 34256.0501 -149278.7744 299.1666 -183534.8245 -149182.1773 299.0228 60.3471 91.9247 556990.1607 -17.7874 -17.8903 PRESSURE: 2301800 -114.174 124.411 -5.53933 124.409 12.4936 102.512 -5.54032 102.51 -62.1868 GPRESSURE: 2301800 -39.5497 99.5504 2.8076 161.44 -45.7192 108.795 54.0456 124.868 15.841 PRESSAVG: 2301800 -41.87 -39.8114 -19.9897 -39.8114 6.48538 18.8542 -19.9897 18.8542 51.3615 GPRESSAVG: 2301800 -42.6296 -40.7528 -18.617 -40.3138 5.93887 19.9925 -22.8889 19.0872 53.0466 TIMING: 2301800 CPU: 6671.24, 0.00289459/step Wall: 6671.24, 0.00289459/step, 2.1695 hours remaining, 209.421875 MB of memory in use. ENERGY: 2301800 737.1275 2090.2532 1935.9778 98.6259 -206262.2119 17780.9980 0.0000 0.0000 34374.7334 -149244.4960 300.2031 -183619.2294 -149154.6903 299.2578 -54.6223 -23.1426 556652.2743 5.3256 5.4520 PRESSURE: 2302000 61.6594 -67.3338 -28.0101 -67.3343 -155.512 1.15894 -28.0087 1.15913 -83.901 GPRESSURE: 2302000 80.3124 -38.765 58.8147 -92.8421 -88.6512 46.216 -89.681 -44.8775 -70.8219 PRESSAVG: 2302000 30.7386 1.4358 -49.3471 1.4358 -11.921 -11.694 -49.3471 -11.6939 -7.26664 GPRESSAVG: 2302000 29.5723 4.43175 -48.4986 0.62417 -10.1488 -11.9096 -47.7513 -11.738 -7.97995 TIMING: 2302000 CPU: 6671.82, 0.00289989/step Wall: 6671.82, 0.00289989/step, 2.17331 hours remaining, 209.421875 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: 2302000 779.9290 2074.2403 1973.3959 122.5682 -206388.4980 17877.0374 0.0000 0.0000 34389.7756 -149171.5516 300.3345 -183561.3272 -149077.1395 299.7723 -59.2513 -26.3869 557875.9525 3.8503 3.8145 PRESSURE: 2302200 -56.9545 138.247 139.889 138.246 -205.745 -177.616 139.889 -177.615 50.5746 GPRESSURE: 2302200 -44.0572 166.986 156.243 209.503 -131.583 -157.709 131.038 -133.642 65.1188 PRESSAVG: 2302200 -18.1538 9.78523 -19.7424 9.78529 -14.3282 -63.1547 -19.7426 -63.1546 35.4292 GPRESSAVG: 2302200 -17.6266 9.74486 -20.4495 11.9148 -14.6403 -62.2174 -21.8594 -64.7911 34.33 TIMING: 2302200 CPU: 6672.4, 0.00291076/step Wall: 6672.4, 0.00291076/step, 2.18129 hours remaining, 209.679688 MB of memory in use. ENERGY: 2302200 757.9052 2050.6011 1944.3840 108.0987 -205762.1224 17571.8794 0.0000 0.0000 34099.9039 -149229.3501 297.8029 -183329.2540 -149130.9809 299.2365 -70.7084 -36.8403 556720.1375 0.9824 0.6877 PRESSURE: 2302400 -136.402 -50.995 -141.741 -50.9946 -247.437 -58.6575 -141.741 -58.6566 -100.816 GPRESSURE: 2302400 -59.164 39.3907 -140.161 -125.715 -237.597 16.9568 -146.122 -103.325 -87.5751 PRESSAVG: 2302400 -19.3921 22.1923 -44.0522 22.1924 -9.42037 -10.249 -44.0522 -10.249 52.6447 GPRESSAVG: 2302400 -19.1436 20.8156 -43.1682 21.1829 -10.389 -9.98712 -43.4455 -9.56141 52.9186 TIMING: 2302400 CPU: 6672.99, 0.00291172/step Wall: 6672.99, 0.00291172/step, 2.18185 hours remaining, 209.679688 MB of memory in use. ENERGY: 2302400 774.8680 2083.6961 1936.8820 124.2206 -205919.5428 17538.6691 0.0000 0.0000 34421.8003 -149039.4067 300.6141 -183461.2070 -148949.4483 299.1490 -161.5516 -128.1121 557053.6023 7.9441 7.7953 PRESSURE: 2302600 95.887 -151.092 23.3098 -151.092 41.5193 19.8515 23.31 19.8518 93.2794 GPRESSURE: 2302600 141.351 -153.852 -59.1749 -137.688 95.5845 -71.1315 -62.4641 145.566 92.6749 PRESSAVG: 2302600 45.5816 18.7153 3.55007 18.7153 -49.6709 -61.2136 3.55008 -61.2137 2.34611 GPRESSAVG: 2302600 45.1754 20.3277 4.90476 17.1989 -49.6609 -63.1214 4.38412 -59.5294 2.63415 TIMING: 2302600 CPU: 6673.56, 0.0028863/step Wall: 6673.56, 0.0028863/step, 2.16264 hours remaining, 209.679688 MB of memory in use. ENERGY: 2302600 765.1845 2114.2184 1923.4751 118.7656 -206522.8345 18012.7882 0.0000 0.0000 34568.5176 -149019.8851 301.8955 -183588.4027 -148925.5627 300.4867 76.8952 109.8702 555417.5864 -0.5811 -0.6171 PRESSURE: 2302800 83.9241 59.7379 198.736 59.7384 -4.64439 35.582 198.735 35.5814 -136.698 GPRESSURE: 2302800 87.3092 -26.9983 194.925 78.2566 28.5782 41.3491 138.859 -47.1042 -76.7063 PRESSAVG: 2302800 12.383 5.1908 15.6029 5.19079 11.8109 -17.745 15.603 -17.7451 -38.9394 GPRESSAVG: 2302800 12.2499 3.7952 15.9156 6.93025 12.6161 -16.5553 15.2147 -19.2048 -39.256 TIMING: 2302800 CPU: 6674.15, 0.00293778/step Wall: 6674.15, 0.00293778/step, 2.20105 hours remaining, 209.679688 MB of memory in use. ENERGY: 2302800 763.2287 2080.3840 1974.6429 117.3362 -205619.0981 17624.1953 0.0000 0.0000 34135.1062 -148924.2049 298.1104 -183059.3111 -148826.2254 299.6822 -19.1395 13.0604 557679.3135 -4.9152 -4.7967 PRESSURE: 2303000 -201.237 -12.0752 -28.8071 -12.0749 -172.768 -180.183 -28.8071 -180.183 44.952 GPRESSURE: 2303000 -205.055 22.8974 -137.111 -36.6864 -49.2327 -182.776 120.268 -123.545 21.9887 PRESSAVG: 2303000 17.7453 2.41741 20.3486 2.41752 22.0865 28.9825 20.3486 28.9826 -23.2424 GPRESSAVG: 2303000 17.4116 0.598204 17.1404 2.52882 21.4379 28.1248 23.3364 29.8923 -22.6837 TIMING: 2303000 CPU: 6674.74, 0.00293201/step Wall: 6674.74, 0.00293201/step, 2.19656 hours remaining, 209.679688 MB of memory in use. ENERGY: 2303000 742.2632 2153.0845 1948.4164 118.6991 -206015.1361 17748.1673 0.0000 0.0000 34367.9066 -148936.5990 300.1435 -183304.5055 -148844.0553 299.5965 -109.6844 -77.4331 558661.4456 5.5298 5.3886 PRESSURE: 2303200 -290.99 -113.472 -108.241 -113.474 185.707 -94.8642 -108.24 -94.8638 -137.814 GPRESSURE: 2303200 -215.609 -188.789 -62.5064 -31.7718 162.341 -132.243 -91.9002 -55.2559 -108.318 PRESSAVG: 2303200 -46.1849 -0.0909064 -10.7206 -0.0909564 79.8305 1.68703 -10.7206 1.68695 -0.867886 GPRESSAVG: 2303200 -46.4394 3.04473 -10.3404 -0.91846 80.1923 0.55675 -12.0193 2.55378 -1.22074 TIMING: 2303200 CPU: 6675.32, 0.00291501/step Wall: 6675.32, 0.00291501/step, 2.18367 hours remaining, 209.679688 MB of memory in use. ENERGY: 2303200 761.9474 2150.1718 1979.8566 121.8016 -206217.7908 17903.3717 0.0000 0.0000 34197.4040 -149103.2377 298.6544 -183300.6418 -149009.6426 300.1313 -81.0324 -53.8621 559403.6495 10.9259 10.8440 PRESSURE: 2303400 60.3644 111.673 -68.0434 111.672 -95.0669 -174.822 -68.0441 -174.823 132.724 GPRESSURE: 2303400 90.8062 129.067 -23.3819 99.6131 -65.3001 -124.308 -54.0675 -184.698 169.818 PRESSAVG: 2303400 0.853038 -26.9274 -7.22351 -26.9274 1.89531 -18.4619 -7.22343 -18.4619 9.39196 GPRESSAVG: 2303400 0.666102 -27.0123 -5.61475 -27.1331 1.2628 -16.6119 -8.0484 -18.4714 9.90369 TIMING: 2303400 CPU: 6675.9, 0.00289007/step Wall: 6675.9, 0.00289007/step, 2.16482 hours remaining, 209.679688 MB of memory in use. ENERGY: 2303400 726.8287 2101.0985 1952.4342 114.4860 -205944.8395 17764.9177 0.0000 0.0000 34049.4325 -149235.6419 297.3622 -183285.0744 -149136.5782 299.6962 32.6738 65.1081 557939.3241 4.0468 3.9442 PRESSURE: 2303600 32.1265 159.384 106.962 159.384 -291.072 -79.6657 106.963 -79.6653 -200.067 GPRESSURE: 2303600 31.5144 184.934 54.7234 28.3057 -253.494 -126.198 76.2112 9.79671 -157.566 PRESSAVG: 2303600 5.19082 18.4026 6.18391 18.4026 8.31297 -53.2308 6.184 -53.2308 17.9784 GPRESSAVG: 2303600 5.59129 18.2944 4.37404 17.5107 8.69248 -54.6355 6.1811 -53.281 16.6228 TIMING: 2303600 CPU: 6676.48, 0.0028948/step Wall: 6676.48, 0.0028948/step, 2.16821 hours remaining, 209.679688 MB of memory in use. ENERGY: 2303600 725.7386 2100.2789 1959.7194 115.1007 -205898.0656 17533.9688 0.0000 0.0000 34218.5361 -149244.7230 298.8390 -183463.2591 -149151.5962 299.3795 -153.0041 -126.5152 557302.5088 10.4941 10.3022 PRESSURE: 2303800 83.4805 -41.5801 217.98 -41.5806 141.111 -15.162 217.98 -15.1606 -27.4078 GPRESSURE: 2303800 130.852 -61.4807 255.555 4.91555 133.596 34.4522 150.713 26.5276 29.3872 PRESSAVG: 2303800 -5.77623 -14.1222 -1.39619 -14.1222 -15.557 19.604 -1.39621 19.604 14.0116 GPRESSAVG: 2303800 -5.53974 -13.1572 0.988369 -15.4346 -15.7705 21.1839 -1.84101 17.2331 14.0972 TIMING: 2303800 CPU: 6677.06, 0.00290601/step Wall: 6677.06, 0.00290601/step, 2.17644 hours remaining, 209.679688 MB of memory in use. ENERGY: 2303800 756.9358 2163.4582 1947.2875 113.9673 -206220.7021 17658.3319 0.0000 0.0000 34150.2478 -149430.4737 298.2426 -183580.7215 -149338.8487 298.8581 65.7278 97.9453 557145.7798 -2.4405 -2.4044 PRESSURE: 2304000 1.45758 191.276 -79.4057 191.277 -167.73 -29.7751 -79.4031 -29.7757 -11.7985 GPRESSURE: 2304000 54.3515 161.364 -135.056 157.815 -125.473 -115.261 7.2856 52.4055 -5.07411 PRESSAVG: 2304000 91.496 76.5248 18.2393 76.5248 -27.9997 -18.3087 18.2393 -18.3088 -68.1208 GPRESSAVG: 2304000 90.6244 73.4062 16.065 78.3065 -28.3406 -17.5951 19.0819 -16.2303 -66.8654 TIMING: 2304000 CPU: 6677.64, 0.0028869/step Wall: 6677.64, 0.0028869/step, 2.16197 hours remaining, 209.679688 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: 2304000 732.0937 2104.3289 1959.7664 119.4394 -206568.8640 17928.9824 0.0000 0.0000 34187.9826 -149536.2706 298.5722 -183724.2532 -149433.5890 298.6173 -59.3571 -25.3984 557687.1013 -1.5415 -1.5272 PRESSURE: 2304200 207.166 -117.326 -112.681 -117.327 -132.869 235.059 -112.681 235.057 113.013 GPRESSURE: 2304200 221.711 -238.716 -135.972 23.8246 -75.0955 195.773 -128.606 242.103 134.67 PRESSAVG: 2304200 -15.4006 25.2821 1.97579 25.2821 -59.4432 53.6732 1.9758 53.6731 130.241 GPRESSAVG: 2304200 -15.1091 27.1064 4.17215 27.3546 -59.0389 54.1749 2.28858 52.968 129.455 TIMING: 2304200 CPU: 6678.21, 0.00286558/step Wall: 6678.21, 0.00286558/step, 2.14584 hours remaining, 209.679688 MB of memory in use. ENERGY: 2304200 724.6127 2081.4426 1938.0607 112.4329 -206301.6689 17938.1191 0.0000 0.0000 34067.4777 -149439.5232 297.5198 -183507.0010 -149348.4432 299.2493 62.4367 93.7618 557300.9838 18.4658 18.4356 LDB: ============= START OF LOAD BALANCING ============== 6681.59 LDB: ============== END OF LOAD BALANCING =============== 6681.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6681.6 LDB: ============= START OF LOAD BALANCING ============== 6681.88 LDB: Largest compute 4800 load 0.022443 is 19.0% of average load 0.117878 LDB: Average compute 0.001745 is 1.5% of average load 0.117878 LDB: TIME 6681.89 LOAD: AVG 0.117878 MAX 0.180051 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.879 MB LDB: TIME 6681.89 LOAD: AVG 0.117878 MAX 0.180051 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.949 MB LDB: TIME 6681.89 LOAD: AVG 0.117878 MAX 0.180051 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6681.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6681.89 PRESSURE: 2304400 114.847 -76.0888 -191.887 -76.0886 -13.0795 113.056 -191.888 113.056 -147.765 GPRESSURE: 2304400 171.765 -53.1446 -119.213 -89.9006 19.0516 186.127 -206.955 80.9027 -134.555 PRESSAVG: 2304400 69.787 -20.9915 -25.5357 -20.9915 -18.262 -2.24954 -25.5357 -2.24951 -33.0481 GPRESSAVG: 2304400 70.3609 -20.7667 -24.844 -20.8506 -18.001 -4.80473 -26.3248 -0.722396 -33.5316 TIMING: 2304400 CPU: 6678.8, 0.00294678/step Wall: 6678.8, 0.00294678/step, 2.20649 hours remaining, 210.003906 MB of memory in use. ENERGY: 2304400 765.8413 2085.9373 1938.3314 122.5105 -206541.2330 17966.0298 0.0000 0.0000 34112.6652 -149549.9175 297.9144 -183662.5827 -149451.7225 298.2787 -15.3323 18.7538 558932.9260 6.1589 6.2761 PRESSURE: 2304600 39.9034 -84.1683 -31.2418 -84.1705 -74.7818 42.0837 -31.2427 42.0841 -295.964 GPRESSURE: 2304600 113.769 -127.882 14.1987 -62.4724 -69.3851 23.6275 -113.018 5.93422 -285.876 PRESSAVG: 2304600 10.149 21.094 -48.0136 21.0939 -14.3617 17.2057 -48.0135 17.2056 15.4114 GPRESSAVG: 2304600 10.2786 21.3365 -50.1628 18.6336 -13.4752 18.4111 -46.7884 15.8285 14.8038 TIMING: 2304600 CPU: 6679.37, 0.00288286/step Wall: 6679.37, 0.00288286/step, 2.15846 hours remaining, 210.261719 MB of memory in use. ENERGY: 2304600 711.2456 2076.7870 1950.1605 109.6777 -206272.0019 17638.1528 0.0000 0.0000 34181.9764 -149604.0019 298.5197 -183785.9784 -149506.3909 298.1773 -110.2806 -80.4975 557683.9376 3.7329 3.8691 PRESSURE: 2304800 -87.2316 -193.982 132.317 -193.983 63.1816 -188.385 132.317 -188.385 -79.2601 GPRESSURE: 2304800 -62.133 -173.14 117.759 -185.946 78.3232 -247.793 103.073 -166.892 -18.2736 PRESSAVG: 2304800 43.043 -15.7699 -41.1601 -15.7699 21.3263 -20.8241 -41.1601 -20.8242 -79.6372 GPRESSAVG: 2304800 42.8984 -16.4043 -41.1657 -12.6846 20.2681 -22.1849 -41.9748 -20.3511 -78.7051 TIMING: 2304800 CPU: 6679.95, 0.00288353/step Wall: 6679.95, 0.00288353/step, 2.1588 hours remaining, 210.261719 MB of memory in use. ENERGY: 2304800 748.5272 2065.7177 1941.9471 111.8656 -206584.8573 17997.7784 0.0000 0.0000 34120.0384 -149598.9828 297.9788 -183719.0212 -149509.5981 298.0775 -34.4367 -0.6945 558311.6246 -5.0893 -5.1795 PRESSURE: 2305000 -31.0693 3.34023 -2.33038 3.3415 14.8346 -99.8346 -2.33027 -99.8355 122.801 GPRESSURE: 2305000 32.3135 -46.0995 48.2075 56.7942 1.97904 -19.0637 -47.4759 -89.517 164.593 PRESSAVG: 2305000 -57.4939 4.00144 -31.9559 4.00135 8.83467 18.094 -31.9559 18.0941 67.5966 GPRESSAVG: 2305000 -58.1416 3.7778 -32.4736 1.55259 9.06918 18.2525 -31.4526 18.2627 68.0265 TIMING: 2305000 CPU: 6680.53, 0.00288281/step Wall: 6680.53, 0.00288281/step, 2.1581 hours remaining, 210.261719 MB of memory in use. ENERGY: 2305000 711.5180 2113.5361 1942.8526 117.0096 -206525.9995 18042.6968 0.0000 0.0000 34167.0577 -149431.3288 298.3894 -183598.3865 -149333.2921 298.2261 35.5221 66.2951 559249.8445 6.3124 6.3180 PRESSURE: 2305200 24.0441 154.921 -67.6013 154.92 23.567 -161.778 -67.6018 -161.779 232.943 GPRESSURE: 2305200 124.106 190.472 -60.2091 129.769 42.1602 -67.4618 -66.2665 -165.046 231.078 PRESSAVG: 2305200 25.7245 36.5792 -0.981824 36.5792 -8.77498 7.18601 -0.981763 7.18599 17.608 GPRESSAVG: 2305200 25.7157 36.7992 0.281834 36.8582 -8.42084 6.78393 -1.54032 8.28734 17.2607 TIMING: 2305200 CPU: 6681.11, 0.00289185/step Wall: 6681.11, 0.00289185/step, 2.16471 hours remaining, 210.261719 MB of memory in use. ENERGY: 2305200 729.2862 2125.9814 1929.6140 110.4236 -206623.5853 18089.4168 0.0000 0.0000 34058.9238 -149579.9396 297.4451 -183638.8633 -149475.2018 298.5169 93.5179 132.4479 557928.4509 11.5192 11.5185 PRESSURE: 2305400 11.626 -58.6724 -41.6978 -58.6731 85.4134 -131.079 -41.6978 -131.079 163.345 GPRESSURE: 2305400 -4.22214 -118.071 -74.3644 57.1497 145.829 -138.684 -94.739 -204.894 209.52 PRESSAVG: 2305400 9.87257 -15.8608 -0.291341 -15.8608 -114.052 -23.5109 -0.291257 -23.5109 51.4652 GPRESSAVG: 2305400 10.3686 -14.6104 -1.52852 -14.7618 -113.899 -21.7349 1.58613 -25.2536 50.328 TIMING: 2305400 CPU: 6681.69, 0.00289866/step Wall: 6681.69, 0.00289866/step, 2.16965 hours remaining, 210.261719 MB of memory in use. ENERGY: 2305400 762.5868 2061.6004 1932.9621 118.8735 -206945.2778 18068.7793 0.0000 0.0000 34124.3211 -149876.1547 298.0162 -184000.4758 -149788.1048 297.8177 86.7947 117.0423 556244.1946 -17.5712 -17.7343 PRESSURE: 2305600 -98.559 80.6791 -138.694 80.6791 206.684 -82.591 -138.693 -82.5917 -205.75 GPRESSURE: 2305600 -56.7841 31.9503 -173.929 56.6988 229.524 -111.293 -191.787 -98.6245 -165.316 PRESSAVG: 2305600 25.2369 43.6849 -60.0143 43.685 -14.1663 -5.58259 -60.0143 -5.58277 -1.70328 GPRESSAVG: 2305600 24.4773 42.989 -57.6644 41.5949 -14.615 -6.11907 -60.2404 -4.19133 -0.449915 TIMING: 2305600 CPU: 6682.26, 0.00289378/step Wall: 6682.26, 0.00289378/step, 2.16584 hours remaining, 210.261719 MB of memory in use. ENERGY: 2305600 757.9883 2101.6223 1948.7846 116.0177 -206516.3017 17819.8508 0.0000 0.0000 33895.6253 -149876.4126 296.0189 -183772.0380 -149784.7255 297.6415 -32.5418 2.4745 556853.2701 3.1224 3.1375 PRESSURE: 2305800 -419.972 10.9633 54.5385 10.963 -151.485 -101.509 54.5388 -101.508 -61.3357 GPRESSURE: 2305800 -355.265 17.8764 -31.3286 -39.4292 -148.073 -121.125 141.016 3.24819 -19.9909 PRESSAVG: 2305800 46.2728 -1.11374 -19.899 -1.11368 -51.8951 -11.0168 -19.899 -11.0167 -15.8956 GPRESSAVG: 2305800 46.4548 -2.36657 -21.8456 0.786615 -52.0944 -12.0032 -20.5977 -10.2831 -16.3835 TIMING: 2305800 CPU: 6682.84, 0.00289194/step Wall: 6682.84, 0.00289194/step, 2.1643 hours remaining, 210.261719 MB of memory in use. ENERGY: 2305800 733.0726 2103.7581 1948.4705 123.9869 -206701.0404 17597.7370 0.0000 0.0000 34318.2632 -149875.7522 299.7099 -184194.0153 -149780.9180 297.3486 -210.9308 -174.4428 556049.1224 -7.1726 -7.3410 PRESSURE: 2306000 -33.8233 -3.95973 57.0506 -3.95886 -339.147 -9.5236 57.0503 -9.52148 55.4084 GPRESSURE: 2306000 49.1654 -26.7316 29.4777 43.8909 -335.194 -14.6858 -31.4536 -96.9806 65.5641 PRESSAVG: 2306000 -4.15175 4.02989 -18.5928 4.02983 -6.98029 -22.385 -18.5928 -22.3849 -6.75986 GPRESSAVG: 2306000 -2.83659 6.33624 -17.0901 3.06198 -7.33704 -20.3806 -20.5086 -23.1702 -7.6168 TIMING: 2306000 CPU: 6683.42, 0.00286665/step Wall: 6683.42, 0.00286665/step, 2.14521 hours remaining, 210.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2306000 704.1212 2135.0643 1938.8507 110.9634 -206188.1567 17534.6729 0.0000 0.0000 34010.3894 -149754.0948 297.0212 -183764.4843 -149661.2337 297.3196 -105.8540 -73.4882 556556.9782 -5.9640 -5.9301 PRESSURE: 2306200 54.7644 -113.08 -140.218 -113.079 -280.633 82.8349 -140.217 82.8344 -4.99256 GPRESSURE: 2306200 66.1311 -124.664 -70.0279 -49.8816 -243.604 91.6758 -125.417 143.887 30.0925 PRESSAVG: 2306200 28.9171 -2.56439 -18.1731 -2.5643 16.515 -2.6442 -18.173 -2.64408 -10.0201 GPRESSAVG: 2306200 28.0946 -3.61364 -19.6205 -1.80539 16.339 -3.86177 -16.0307 -2.6539 -9.40118 TIMING: 2306200 CPU: 6683.99, 0.00287096/step Wall: 6683.99, 0.00287096/step, 2.14828 hours remaining, 210.363281 MB of memory in use. ENERGY: 2306200 699.9483 2090.1068 1974.6495 112.9044 -206010.0653 17504.5093 0.0000 0.0000 34022.7248 -149605.2222 297.1289 -183627.9470 -149511.5888 297.0028 -76.9538 -49.1267 556791.4132 11.8040 11.6775 PRESSURE: 2306400 -156.215 218.034 -54.7719 218.034 -218.317 -212.457 -54.7708 -212.457 -134.813 GPRESSURE: 2306400 -99.4032 224.537 -59.7425 242.289 -169.482 -133.461 13.6981 -280.114 -148.242 PRESSAVG: 2306400 10.1887 33.9838 -39.5807 33.9839 -62.1089 -8.59986 -39.5808 -8.60003 34.4326 GPRESSAVG: 2306400 11.2294 34.6605 -37.689 33.8702 -63.0228 -9.24894 -39.363 -8.8326 34.1383 TIMING: 2306400 CPU: 6684.56, 0.00286662/step Wall: 6684.56, 0.00286662/step, 2.14487 hours remaining, 210.363281 MB of memory in use. ENERGY: 2306400 709.5950 2067.2189 1941.2699 114.5368 -206025.6918 17463.1527 0.0000 0.0000 34013.3958 -149716.5227 297.0474 -183729.9185 -149618.7560 297.5720 -169.7816 -139.0423 557978.3730 -5.8292 -5.8850 PRESSURE: 2306600 -186.003 99.8543 -36.0779 99.8552 -62.0415 63.0015 -36.0791 63.0008 177.38 GPRESSURE: 2306600 -136.433 117.993 -39.9446 96.8154 -61.6552 -33.1248 -36.2622 90.8105 213.066 PRESSAVG: 2306600 25.3797 22.8898 -30.5529 22.8899 -53.3757 23.98 -30.5529 23.98 -9.88303 GPRESSAVG: 2306600 25.9613 23.9921 -31.0433 21.1622 -52.9794 25.3094 -32.3801 22.7706 -10.8267 TIMING: 2306600 CPU: 6685.14, 0.00289027/step Wall: 6685.14, 0.00289027/step, 2.1624 hours remaining, 210.363281 MB of memory in use. ENERGY: 2306600 744.7288 2068.6957 1944.4779 116.7160 -206461.6145 17793.0599 0.0000 0.0000 34124.3313 -149669.6048 298.0163 -183793.9361 -149576.9879 297.0805 -23.5548 4.9924 555501.9287 -12.6263 -12.6149 PRESSURE: 2306800 6.24753 118.255 113.992 118.255 122.254 223.433 113.991 223.433 -203.267 GPRESSURE: 2306800 29.4672 92.8898 67.1316 119.035 110.112 177.639 77.0157 199.005 -103.724 PRESSAVG: 2306800 -16.5215 -11.4724 22.1475 -11.4724 34.4258 16.2446 22.1474 16.2446 39.7837 GPRESSAVG: 2306800 -19.3312 -14.1481 20.8 -8.6594 36.7537 16.1146 22.3455 16.5437 40.753 TIMING: 2306800 CPU: 6685.72, 0.00287494/step Wall: 6685.72, 0.00287494/step, 2.15077 hours remaining, 210.363281 MB of memory in use. ENERGY: 2306800 745.5692 2117.4976 1959.2558 112.9784 -206539.4554 17804.4491 0.0000 0.0000 34275.2986 -149524.4067 299.3347 -183799.7053 -149429.7423 298.5805 -24.9221 11.9519 555975.6633 19.2294 19.3918 PRESSURE: 2307000 -30.3009 114.822 -36.4408 114.822 -102.088 -28.2852 -36.4417 -28.2851 185.682 GPRESSURE: 2307000 20.0651 64.2574 41.5765 74.6856 -17.1246 72.0951 -53.4881 -44.0742 148.443 PRESSAVG: 2307000 -18.804 -6.15063 13.2548 -6.15055 81.5563 -42.2964 13.2547 -42.2964 -92.261 GPRESSAVG: 2307000 -17.5135 -4.64136 13.7712 -8.184 79.7972 -41.4341 14.3639 -39.4235 -91.9385 TIMING: 2307000 CPU: 6686.29, 0.00287689/step Wall: 6686.29, 0.00287689/step, 2.15207 hours remaining, 210.363281 MB of memory in use. ENERGY: 2307000 726.0424 2090.7413 1951.2165 114.4009 -206636.3635 17977.9341 0.0000 0.0000 34040.3064 -149735.7219 297.2825 -183776.0283 -149637.9767 298.0726 17.7646 50.4611 556812.5349 -9.8362 -9.8849 PRESSURE: 2307200 -278.832 -203.469 -64.9397 -203.469 103.625 8.00667 -64.9392 8.00854 103.106 GPRESSURE: 2307200 -245.049 -138.17 -99.912 -160.742 138.239 33.9066 -147.194 -4.22191 130.441 PRESSAVG: 2307200 27.3993 -39.8095 -2.03005 -39.8097 1.7844 -5.32465 -2.02992 -5.3247 -47.7281 GPRESSAVG: 2307200 27.1491 -39.5081 -2.3364 -40.3687 1.37124 -4.90363 -2.28093 -7.12346 -46.5557 TIMING: 2307200 CPU: 6686.87, 0.00287991/step Wall: 6686.87, 0.00287991/step, 2.15417 hours remaining, 210.363281 MB of memory in use. ENERGY: 2307200 729.5601 2068.3715 1952.1748 113.1213 -206266.1441 17621.9149 0.0000 0.0000 34252.2888 -149528.7127 299.1338 -183781.0015 -149433.0242 298.0383 -24.0338 7.8770 556714.7984 -6.1815 -6.0118 PRESSURE: 2307400 -365.038 100.231 -42.144 100.23 -215.534 80.3935 -42.145 80.3953 -172.095 GPRESSURE: 2307400 -334.711 -48.3504 27.2123 202.622 -218.26 14.1786 -27.5545 107.766 -112.632 PRESSAVG: 2307400 -67.9449 39.1999 -11.5632 39.1998 45.335 -2.9587 -11.5631 -2.95859 17.9967 GPRESSAVG: 2307400 -67.717 39.6212 -10.7438 38.4692 45.1394 -3.23275 -10.5358 -1.80551 17.5119 TIMING: 2307400 CPU: 6687.45, 0.00288412/step Wall: 6687.45, 0.00288412/step, 2.15717 hours remaining, 210.363281 MB of memory in use. ENERGY: 2307400 726.5650 2087.9332 1947.6969 122.0015 -205801.7753 17252.6306 0.0000 0.0000 34173.9964 -149490.9517 298.4500 -183664.9481 -149394.5929 298.5981 -250.8891 -221.8678 556677.0753 -1.5378 -1.6886 PRESSURE: 2307600 251.134 -40.1965 2.83997 -40.1963 -89.6937 113.229 2.83913 113.228 -191.214 GPRESSURE: 2307600 289.428 -10.4745 -22.6796 -106.7 -104.05 52.644 -52.0368 221.718 -121.688 PRESSAVG: 2307600 10.0135 17.3059 -24.7321 17.3059 8.36322 28.2169 -24.7321 28.2171 -42.7151 GPRESSAVG: 2307600 8.979 16.5069 -25.2032 19.0241 8.93991 26.6554 -25.6843 29.0819 -41.9501 TIMING: 2307600 CPU: 6688.02, 0.00289071/step Wall: 6688.02, 0.00289071/step, 2.16193 hours remaining, 210.363281 MB of memory in use. ENERGY: 2307600 744.9348 2095.8838 1937.4199 112.8223 -206579.8322 17954.4727 0.0000 0.0000 34330.1611 -149404.1375 299.8138 -183734.2986 -149306.0933 298.8819 -9.9248 21.2301 557966.7883 -8.1128 -8.0104 PRESSURE: 2307800 151.634 -1.52881 -31.6875 -1.52983 -192.79 -8.09956 -31.6893 -8.09888 25.4828 GPRESSURE: 2307800 156.172 -34.7459 -55.8087 -31.1854 -138.468 29.3645 -61.1417 -67.7643 73.4812 PRESSAVG: 2307800 -2.51575 13.224 -28.2762 13.224 -0.810755 38.0981 -28.2762 38.0982 0.228269 GPRESSAVG: 2307800 -2.15218 13.5898 -28.116 13.7717 -0.187605 41.2081 -27.9185 34.9594 -0.44936 TIMING: 2307800 CPU: 6688.6, 0.00288604/step Wall: 6688.6, 0.00288604/step, 2.15828 hours remaining, 210.363281 MB of memory in use. ENERGY: 2307800 755.0561 2131.9571 1963.2457 117.7280 -206506.6601 17861.5759 0.0000 0.0000 34292.5441 -149384.5532 299.4853 -183677.0973 -149282.0414 299.2263 -5.2247 30.3952 556855.9799 -1.0327 -0.9297 PRESSURE: 2308000 -95.471 143.733 -91.0429 143.732 34.1576 -69.8296 -91.0432 -69.8297 86.4559 GPRESSURE: 2308000 16.5073 88.3424 -54.7465 117.178 43.9337 38.5384 -122.603 -74.5807 74.2057 PRESSAVG: 2308000 -55.4775 4.10993 -64.5168 4.11002 26.7689 35.0363 -64.5168 35.0362 18.585 GPRESSAVG: 2308000 -54.8153 2.54446 -65.3915 4.6715 26.1408 33.2205 -64.0195 36.2451 18.4493 TIMING: 2308000 CPU: 6689.18, 0.00288583/step Wall: 6689.18, 0.00288583/step, 2.15796 hours remaining, 210.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2308000 747.7746 2017.3764 1933.6502 99.4533 -206009.4075 17719.9036 0.0000 0.0000 34207.8840 -149283.3655 298.7460 -183491.2495 -149181.9495 298.6011 8.3808 44.8822 556178.3634 -3.3745 -3.4084 PRESSURE: 2308200 259.819 -74.1104 18.976 -74.1102 289.976 81.6097 18.9773 81.6094 103.953 GPRESSURE: 2308200 294.983 -84.5676 84.912 54.7702 282.241 15.9113 17.948 11.2158 172.099 PRESSAVG: 2308200 -25.1122 -41.5574 -31.9064 -41.5572 -12.3312 -43.872 -31.9064 -43.8719 29.0973 GPRESSAVG: 2308200 -24.7274 -39.3597 -31.2527 -43.4582 -12.8514 -45.5553 -33.3984 -42.3125 29.5152 TIMING: 2308200 CPU: 6689.75, 0.00288344/step Wall: 6689.75, 0.00288344/step, 2.15601 hours remaining, 210.363281 MB of memory in use. ENERGY: 2308200 761.1046 2111.2725 1951.3649 118.4468 -206777.8468 18153.9194 0.0000 0.0000 34382.6924 -149299.0463 300.2726 -183681.7387 -149196.7243 298.4226 217.9160 249.7743 556880.9007 -2.7820 -2.6879 LDB: ============= START OF LOAD BALANCING ============== 6693.14 LDB: ============== END OF LOAD BALANCING =============== 6693.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6693.14 LDB: ============= START OF LOAD BALANCING ============== 6693.43 LDB: Largest compute 4820 load 0.023403 is 19.8% of average load 0.117917 LDB: Average compute 0.001755 is 1.5% of average load 0.117917 LDB: TIME 6693.43 LOAD: AVG 0.117917 MAX 0.180238 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.051 MB LDB: TIME 6693.43 LOAD: AVG 0.117917 MAX 0.180238 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.09 MB LDB: TIME 6693.43 LOAD: AVG 0.117917 MAX 0.180238 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6693.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6693.44 PRESSURE: 2308400 189.122 -132.002 71.8821 -132.001 166.156 20.1039 71.8826 20.1034 6.39236 GPRESSURE: 2308400 177.822 -93.0163 44.3252 -147.562 220.014 64.5135 59.8627 29.7494 64.9015 PRESSAVG: 2308400 14.0923 -14.7253 -23.1663 -14.7254 -0.790531 -45.405 -23.1662 -45.405 -13.762 GPRESSAVG: 2308400 12.3524 -16.9375 -22.8133 -15.6402 0.0300859 -43.4347 -24.7882 -46.992 -13.081 TIMING: 2308400 CPU: 6690.34, 0.00294185/step Wall: 6690.34, 0.00294185/step, 2.19952 hours remaining, 208.468750 MB of memory in use. ENERGY: 2308400 752.4324 2059.2771 1974.7202 119.2329 -206465.2856 17999.2315 0.0000 0.0000 34355.6282 -149204.7633 300.0362 -183560.3914 -149107.5466 299.4432 120.5567 154.2460 555150.9928 -0.1534 -0.2328 PRESSURE: 2308600 -158.536 15.7445 -47.5393 15.746 76.8423 244.2 -47.5385 244.2 91.3687 GPRESSURE: 2308600 -66.0789 -62.6414 -34.6825 -52.3597 82.1642 191.428 -74.4106 250.151 100.677 PRESSAVG: 2308600 28.6795 17.4218 29.3701 17.422 11.1191 -9.53881 29.37 -9.5389 -44.2482 GPRESSAVG: 2308600 29.186 17.8032 29.5755 15.2009 11.5928 -9.50929 30.1514 -10.052 -45.2651 TIMING: 2308600 CPU: 6690.92, 0.00287346/step Wall: 6690.92, 0.00287346/step, 2.14823 hours remaining, 208.468750 MB of memory in use. ENERGY: 2308600 761.0867 2082.7046 1940.6373 102.5375 -206194.4277 17676.6751 0.0000 0.0000 34389.3967 -149241.3899 300.3312 -183630.7866 -149143.8211 299.7273 3.2251 38.9209 556079.5469 -1.4832 -1.4955 PRESSURE: 2308800 -175.829 112.49 6.89056 112.491 122.683 -272.239 6.89152 -272.24 167.696 GPRESSURE: 2308800 -197.933 168.499 -5.86033 46.5577 154.838 -225.947 1.4057 -246.641 255.276 PRESSAVG: 2308800 -69.4187 -10.6346 -32.7732 -10.6347 46.868 27.8985 -32.7732 27.8984 61.3324 GPRESSAVG: 2308800 -68.6778 -9.5715 -32.1358 -8.66928 45.4101 27.7933 -32.6697 29.8793 62.2061 TIMING: 2308800 CPU: 6691.49, 0.00286788/step Wall: 6691.49, 0.00286788/step, 2.1439 hours remaining, 208.539062 MB of memory in use. ENERGY: 2308800 768.0821 2058.9931 1960.1340 107.1869 -206371.1119 17910.0545 0.0000 0.0000 34320.9511 -149245.7102 299.7334 -183566.6613 -149149.4008 299.5917 38.1832 70.7269 556472.3621 12.9272 12.9795 PRESSURE: 2309000 -55.5982 77.3446 -163.596 77.3456 -3.18373 23.0975 -163.596 23.0964 -72.3574 GPRESSURE: 2309000 -62.0352 66.3745 -203.471 18.928 97.3147 -31.4875 -85.5435 55.1416 -52.7878 PRESSAVG: 2309000 -30.0091 -7.61429 24.3149 -7.61437 -15.4045 -14.2433 24.3149 -14.2433 20.8814 GPRESSAVG: 2309000 -30.4695 -8.38735 22.6254 -7.82877 -14.8152 -15.1728 25.3917 -15.0697 21.3039 TIMING: 2309000 CPU: 6692.06, 0.00286807/step Wall: 6692.06, 0.00286807/step, 2.14388 hours remaining, 208.539062 MB of memory in use. ENERGY: 2309000 687.2060 2110.1649 1958.5121 107.1395 -205616.8776 17613.2473 0.0000 0.0000 34087.0187 -149053.5890 297.6904 -183140.6077 -148960.6778 299.3227 -43.7131 -5.8361 558893.0209 -8.1774 -7.9936 PRESSURE: 2309200 30.5545 -0.367657 -82.3701 -0.368121 86.1378 -3.68213 -82.3706 -3.68338 -91.105 GPRESSURE: 2309200 32.1705 40.5254 -123.553 1.06949 111.089 -55.6863 -47.3431 76.4482 -21.6844 PRESSAVG: 2309200 71.3232 8.10579 -24.4533 8.10573 16.2682 12.3969 -24.4533 12.3968 -65.483 GPRESSAVG: 2309200 71.3081 9.16804 -24.1913 7.56118 16.7274 11.7469 -24.1947 12.1704 -66.3128 TIMING: 2309200 CPU: 6692.65, 0.00290622/step Wall: 6692.65, 0.00290622/step, 2.17224 hours remaining, 208.539062 MB of memory in use. ENERGY: 2309200 731.0201 2085.7797 1941.9127 103.9883 -206579.8718 17969.5962 0.0000 0.0000 34410.8363 -149336.7386 300.5184 -183747.5749 -149240.0350 299.7208 8.5291 40.5251 555861.0650 7.3695 7.2409 PRESSURE: 2309400 -30.3239 154.475 -79.5445 154.474 57.6979 -46.1437 -79.5438 -46.1455 138.918 GPRESSURE: 2309400 0.649636 188.26 -87.4569 161.951 44.4247 -18.0769 -46.7576 -34.314 220.607 PRESSAVG: 2309400 0.869822 0.613289 -12.1965 0.613245 51.0677 -39.4683 -12.1964 -39.4682 -8.0024 GPRESSAVG: 2309400 1.88542 -0.969105 -12.8434 2.77507 50.5422 -39.1083 -12.5576 -38.5822 -7.95914 TIMING: 2309400 CPU: 6693.22, 0.002879/step Wall: 6693.22, 0.002879/step, 2.15173 hours remaining, 208.539062 MB of memory in use. ENERGY: 2309400 674.4434 2089.7895 1942.5678 106.3255 -206418.7681 17865.2733 0.0000 0.0000 34267.1931 -149473.1755 299.2639 -183740.3685 -149382.8402 298.9752 55.4307 88.5604 556258.8693 14.6450 14.8228 PRESSURE: 2309600 -217.331 -45.1696 -10.8407 -45.1702 -126.685 23.6846 -10.8399 23.6846 -35.0695 GPRESSURE: 2309600 -143.443 -39.38 -26.8983 -26.7253 -104.012 -43.1918 107.73 25.1896 -14.7512 PRESSAVG: 2309600 -14.3586 8.63147 6.37641 8.63152 2.7366 -14.6899 6.37646 -14.6898 -42.2373 GPRESSAVG: 2309600 -14.1159 10.1467 6.43799 6.37685 3.03316 -13.3885 7.08459 -14.0894 -41.5868 TIMING: 2309600 CPU: 6693.8, 0.00288724/step Wall: 6693.8, 0.00288724/step, 2.15773 hours remaining, 208.539062 MB of memory in use. ENERGY: 2309600 695.5448 2092.3072 1960.9258 100.0459 -206190.7712 17605.7478 0.0000 0.0000 34061.9998 -149674.1999 297.4719 -183736.1997 -149577.2442 298.3466 -126.3616 -87.4019 556995.6736 -17.9531 -17.5565 PRESSURE: 2309800 -36.9258 110.527 -47.818 110.529 -7.73806 42.1021 -47.8177 42.1011 9.29477 GPRESSURE: 2309800 44.7611 90.111 5.90408 73.6965 4.77589 -29.2397 -75.6972 113.002 20.3166 PRESSAVG: 2309800 -18.8542 -32.568 11.4898 -32.568 2.95434 -27.1502 11.4898 -27.1501 65.646 GPRESSAVG: 2309800 -20.8746 -32.4774 12.8726 -31.6529 3.48595 -28.0576 10.7074 -27.6177 66.9595 TIMING: 2309800 CPU: 6694.38, 0.00291977/step Wall: 6694.38, 0.00291977/step, 2.18188 hours remaining, 208.539062 MB of memory in use. ENERGY: 2309800 713.0268 2063.7233 1945.5757 98.1559 -206175.7415 17776.8797 0.0000 0.0000 34049.0232 -149529.3569 297.3586 -183578.3801 -149436.5492 297.7690 -11.7897 23.2845 557540.7117 16.5820 16.5236 PRESSURE: 2310000 -10.0796 -119.141 227.4 -119.143 210.334 80.8633 227.399 80.8651 88.2214 GPRESSURE: 2310000 -16.2444 29.059 187.935 -176.855 244.229 21.348 256.725 90.1575 146.937 PRESSAVG: 2310000 9.66374 25.5389 -17.1961 25.5389 12.6807 22.5632 -17.196 22.5632 -8.43192 GPRESSAVG: 2310000 12.2122 26.7361 -16.3841 25.8397 10.6133 24.0872 -17.0048 22.1786 -8.64257 TIMING: 2310000 CPU: 6694.96, 0.00288623/step Wall: 6694.96, 0.00288623/step, 2.15665 hours remaining, 208.539062 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: 2310000 724.4959 2069.9311 1956.4870 110.6123 -206312.5950 17777.3445 0.0000 0.0000 34062.9118 -149610.8123 297.4799 -183673.7242 -149516.7046 297.9353 96.1585 124.9740 554183.9043 4.6375 4.7276 PRESSURE: 2310200 -324.124 -50.0422 58.2816 -50.0423 -180.915 60.8254 58.2816 60.825 126.098 GPRESSURE: 2310200 -232.283 -58.5197 -3.91451 -21.3952 -141.621 117.505 102.994 -46.7875 91.1269 PRESSAVG: 2310200 -45.9447 80.7431 -20.1338 80.7431 60.5346 -11.2385 -20.1338 -11.2386 10.0384 GPRESSAVG: 2310200 -47.295 79.4579 -21.7083 80.8568 62.1785 -10.9741 -20.6721 -12.7885 9.80978 TIMING: 2310200 CPU: 6695.54, 0.00287881/step Wall: 6695.54, 0.00287881/step, 2.15095 hours remaining, 208.539062 MB of memory in use. ENERGY: 2310200 750.3190 2044.1273 1955.1549 112.1070 -206094.4105 17632.3159 0.0000 0.0000 34000.6699 -149599.7165 296.9363 -183600.3864 -149506.3812 297.5729 -126.3136 -94.2591 556550.2634 8.2094 8.2311 PRESSURE: 2310400 -67.3613 -24.3722 -68.854 -24.3718 -39.2616 -141.833 -68.8561 -141.833 31.1102 GPRESSURE: 2310400 -53.212 -15.7461 -75.611 -38.0455 -71.9028 -140.148 -136.759 -120.997 149.099 PRESSAVG: 2310400 15.9512 -12.7723 -11.8581 -12.7724 19.903 -56.7093 -11.8581 -56.7093 -38.2482 GPRESSAVG: 2310400 16.5287 -13.3584 -11.1716 -11.2456 19.185 -56.3895 -14.3302 -58.1337 -38.5111 TIMING: 2310400 CPU: 6696.11, 0.00288595/step Wall: 6696.11, 0.00288595/step, 2.15613 hours remaining, 208.539062 MB of memory in use. ENERGY: 2310400 757.6392 1970.6277 1939.3762 116.3093 -206542.0798 18080.9811 0.0000 0.0000 34100.3564 -149576.7899 297.8069 -183677.1463 -149482.1206 297.9928 -25.1709 7.9948 556995.0804 -0.7980 -0.9325 PRESSURE: 2310600 -156.504 75.9243 59.9356 75.9242 124.924 -76.8851 59.9353 -76.8855 -26.4722 GPRESSURE: 2310600 -99.6677 128.703 123.887 73.7428 143.176 22.0696 -7.04375 -125.048 4.02544 PRESSAVG: 2310600 -49.3312 19.4944 15.0318 19.4944 95.6345 -47.0094 15.0319 -47.0094 -55.3015 GPRESSAVG: 2310600 -48.7452 19.7184 14.2291 18.1782 96.1171 -47.8629 17.9877 -46.6708 -56.8993 TIMING: 2310600 CPU: 6696.69, 0.00288592/step Wall: 6696.69, 0.00288592/step, 2.15594 hours remaining, 208.539062 MB of memory in use. ENERGY: 2310600 756.2320 2066.8083 1935.1507 109.5732 -206763.3982 17968.2437 0.0000 0.0000 34385.2359 -149542.1544 300.2948 -183927.3902 -149448.0910 298.1846 -19.3506 15.8447 556125.7658 -2.9994 -3.1758 PRESSURE: 2310800 -76.3242 -11.9794 -69.0941 -11.9799 -201.29 213.011 -69.0942 213.009 44.0355 GPRESSURE: 2310800 -137.673 -80.1693 -22.2792 -49.9811 -108.28 168.491 -167.244 131.771 110.951 PRESSAVG: 2310800 -23.0569 22.9311 18.8698 22.9311 18.2508 54.908 18.8699 54.908 16.2961 GPRESSAVG: 2310800 -22.3109 20.3738 17.8845 22.6186 17.3751 54.6537 18.5168 57.1522 16.6726 TIMING: 2310800 CPU: 6697.27, 0.00288882/step Wall: 6697.27, 0.00288882/step, 2.15795 hours remaining, 208.539062 MB of memory in use. ENERGY: 2310800 802.8646 2019.8080 1961.0192 105.8375 -206435.2874 17815.2242 0.0000 0.0000 34412.3987 -149318.1352 300.5320 -183730.5339 -149217.8901 298.9499 -77.8597 -45.0006 556433.0612 3.8300 3.9123 PRESSURE: 2311000 87.9637 62.0207 -48.475 62.0196 -77.5216 -124.093 -48.4769 -124.094 111.139 GPRESSURE: 2311000 158.85 82.3065 -19.3986 82.482 -47.3853 -25.652 -51.3774 -198.217 95.5302 PRESSAVG: 2311000 25.8168 -5.47975 9.96546 -5.47975 -8.7179 -11.9061 9.96536 -11.9061 -20.3773 GPRESSAVG: 2311000 26.0336 -3.69009 10.9617 -4.9548 -9.3865 -13.3617 8.52757 -10.2729 -19.2139 TIMING: 2311000 CPU: 6697.84, 0.00286879/step Wall: 6697.84, 0.00286879/step, 2.14283 hours remaining, 208.539062 MB of memory in use. ENERGY: 2311000 735.0061 2072.0830 1923.7729 103.8819 -206352.3837 17821.5821 0.0000 0.0000 34145.3357 -149550.7220 298.1997 -183696.0577 -149458.6171 298.8573 40.5270 68.9983 558384.0852 -1.0928 -0.8556 PRESSURE: 2311200 -176.762 -56.1115 58.432 -56.1114 141.884 -96.8662 58.4306 -96.867 12.0372 GPRESSURE: 2311200 -165.695 15.6731 64.8604 -106.177 200.628 -148.268 45.3562 -104.357 32.9209 PRESSAVG: 2311200 34.7513 -37.2809 37.0544 -37.2809 -2.63855 -34.0807 37.0544 -34.0808 -20.3209 GPRESSAVG: 2311200 35.0409 -38.4328 35.9894 -37.2267 -1.35221 -34.8445 38.0118 -35.5043 -21.8543 TIMING: 2311200 CPU: 6698.42, 0.00287038/step Wall: 6698.42, 0.00287038/step, 2.14386 hours remaining, 208.539062 MB of memory in use. ENERGY: 2311200 738.7599 2073.4364 1923.6942 115.5811 -206357.1786 17850.5587 0.0000 0.0000 34029.9355 -149625.2128 297.1919 -183655.1483 -149529.4882 298.3383 -7.6135 22.6178 557822.4324 3.9306 3.9448 PRESSURE: 2311400 -42.6091 -82.7427 193.833 -82.7428 -97.1814 16.0301 193.832 16.0311 133.939 GPRESSURE: 2311400 -46.6086 -136.37 118.512 -31.8096 -22.5266 -85.7516 237.125 114.606 165.196 PRESSAVG: 2311400 68.3826 -57.5535 4.22093 -57.5535 -97.092 25.2883 4.22097 25.2883 45.8655 GPRESSAVG: 2311400 66.717 -58.0836 4.17669 -57.7653 -97.0635 26.3297 6.25532 26.1034 47.6053 TIMING: 2311400 CPU: 6698.99, 0.00287893/step Wall: 6698.99, 0.00287893/step, 2.15008 hours remaining, 208.539062 MB of memory in use. ENERGY: 2311400 763.6798 2046.1470 1945.6782 115.3036 -206330.6915 17800.4943 0.0000 0.0000 34064.6780 -149594.7105 297.4953 -183659.3885 -149511.3234 298.5860 -1.9506 32.0203 556214.7580 5.7187 5.7529 PRESSURE: 2311600 18.2191 17.5392 4.37803 17.5392 -243.01 -51.8601 4.37767 -51.8597 -193.128 GPRESSURE: 2311600 5.53643 74.1934 -37.4957 -45.0677 -195.428 -98.5031 46.1146 2.13331 -136.047 PRESSAVG: 2311600 -9.9368 -29.764 66.6385 -29.7641 -5.09528 -17.3733 66.6385 -17.3733 47.3327 GPRESSAVG: 2311600 -9.10914 -27.8633 65.6759 -29.0175 -4.4 -18.6542 65.8571 -18.4121 45.7985 TIMING: 2311600 CPU: 6699.57, 0.00286578/step Wall: 6699.57, 0.00286578/step, 2.1401 hours remaining, 208.539062 MB of memory in use. ENERGY: 2311600 789.2576 2059.1822 1949.5595 108.4543 -206374.3846 17782.8207 0.0000 0.0000 34093.3302 -149591.7802 297.7455 -183685.1104 -149494.9274 298.4516 -139.3064 -108.6461 557874.1863 10.7669 10.7631 PRESSURE: 2311800 26.899 18.6003 -229.745 18.5989 -178.804 -84.2632 -229.746 -84.2644 -30.6436 GPRESSURE: 2311800 66.2758 80.1315 -167.316 -23.0615 -147.267 -49.6994 -232.28 -68.4396 -0.575401 PRESSAVG: 2311800 -1.80391 3.32788 33.3683 3.32792 -46.8272 -56.8981 33.3682 -56.898 -0.833274 GPRESSAVG: 2311800 -0.93131 0.906122 36.7611 4.59369 -47.503 -54.3102 31.4737 -59.6898 -1.27754 TIMING: 2311800 CPU: 6700.14, 0.00288369/step Wall: 6700.14, 0.00288369/step, 2.15332 hours remaining, 208.539062 MB of memory in use. ENERGY: 2311800 764.7999 2086.1147 1941.5898 102.2422 -206199.5382 17748.6231 0.0000 0.0000 33912.9939 -149643.1746 296.1706 -183556.1685 -149543.5374 298.8179 -60.8495 -27.1889 558187.7097 -16.4881 -16.5706 PRESSURE: 2312000 18.0201 40.0448 59.9223 40.0459 -274.126 -72.4347 59.9223 -72.4337 -117.417 GPRESSURE: 2312000 21.7242 74.8939 -19.1404 5.82473 -191.127 -90.9233 75.5374 3.03127 -98.6947 PRESSAVG: 2312000 21.8306 25.9474 -26.6946 25.9474 -55.5362 1.84536 -26.6946 1.84545 -16.3318 GPRESSAVG: 2312000 20.9958 28.1852 -27.5713 24.2375 -55.8546 0.70665 -26.3207 4.27371 -15.2171 TIMING: 2312000 CPU: 6700.73, 0.00292354/step Wall: 6700.73, 0.00292354/step, 2.18291 hours remaining, 208.539062 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: 2312000 748.0507 2061.5114 1954.7269 106.9840 -206300.2672 17824.8928 0.0000 0.0000 33963.8958 -149640.2057 296.6151 -183604.1015 -149546.0007 297.7133 -124.5077 -89.3659 558889.4579 -16.6791 -16.6920 PRESSURE: 2312200 102.875 32.9338 57.8247 32.9334 -276.619 9.32568 57.8237 9.32573 -255.158 GPRESSURE: 2312200 96.5018 92.8312 -2.4695 -78.1373 -234.694 67.3402 64.5706 -76.8409 -178.121 PRESSAVG: 2312200 115.613 33.3178 34.5018 33.3177 -45.7183 4.92059 34.5018 4.92057 -0.0213848 GPRESSAVG: 2312200 115.306 34.2754 35.2525 32.9116 -45.6454 7.09649 33.761 3.71698 -0.0484485 TIMING: 2312200 CPU: 6701.3, 0.00289121/step Wall: 6701.3, 0.00289121/step, 2.15861 hours remaining, 208.539062 MB of memory in use. ENERGY: 2312200 755.5771 2044.3368 1956.4185 119.7981 -206504.2778 17875.3078 0.0000 0.0000 34311.6126 -149441.2269 299.6518 -183752.8395 -149341.3849 298.9836 -142.9674 -105.4378 558339.7394 23.2910 23.2040 LDB: ============= START OF LOAD BALANCING ============== 6704.69 LDB: ============== END OF LOAD BALANCING =============== 6704.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6704.69 LDB: ============= START OF LOAD BALANCING ============== 6704.98 LDB: Largest compute 4800 load 0.022646 is 19.2% of average load 0.117807 LDB: Average compute 0.001750 is 1.5% of average load 0.117807 LDB: TIME 6704.99 LOAD: AVG 0.117807 MAX 0.180542 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.238 MB LDB: TIME 6704.99 LOAD: AVG 0.117807 MAX 0.180542 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.301 MB LDB: TIME 6704.99 LOAD: AVG 0.117807 MAX 0.180542 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6704.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6704.99 PRESSURE: 2312400 -132.313 3.07615 29.5654 3.07683 -376.698 189.996 29.5661 189.996 26.2713 GPRESSURE: 2312400 -120.613 15.0102 10.1995 -39.8834 -261.208 104.223 25.3607 284.032 12.2324 PRESSAVG: 2312400 39.9323 -1.54156 -0.735719 -1.54153 -23.2021 79.0771 -0.735697 79.077 -31.5651 GPRESSAVG: 2312400 40.6203 -3.1129 -1.66285 -1.89376 -23.2184 77.6171 -0.926687 78.6639 -31.8823 TIMING: 2312400 CPU: 6701.9, 0.00296397/step Wall: 6701.9, 0.00296397/step, 2.21277 hours remaining, 208.980469 MB of memory in use. ENERGY: 2312400 765.9759 2035.5421 1955.0073 106.7365 -206572.7641 17956.4718 0.0000 0.0000 34218.6277 -149534.4027 298.8398 -183753.0304 -149438.1152 298.1464 -160.9132 -123.1962 558661.1683 -4.9450 -4.8268 PRESSURE: 2312600 -196.889 54.7355 -70.9945 54.7368 -239.675 186.226 -70.9934 186.224 -392.399 GPRESSURE: 2312600 -113.089 -12.3973 -59.5318 36.8415 -225.774 116.124 -15.7423 187.361 -393.075 PRESSAVG: 2312600 80.85 -28.5865 51.7173 -28.5867 -18.1275 58.907 51.7173 58.9071 -36.0787 GPRESSAVG: 2312600 81.4573 -28.4911 52.7061 -28.2554 -18.2069 59.5558 51.7176 58.9516 -36.4379 TIMING: 2312600 CPU: 6702.48, 0.00292017/step Wall: 6702.48, 0.00292017/step, 2.17991 hours remaining, 208.980469 MB of memory in use. ENERGY: 2312600 742.1512 2112.1811 1956.1126 111.0534 -206276.0653 17711.1065 0.0000 0.0000 33996.1853 -149647.2752 296.8971 -183643.4604 -149539.0355 298.6640 -276.3209 -243.9795 559908.9997 8.8812 8.9375 PRESSURE: 2312800 -12.9421 -24.4945 167.388 -24.4955 -5.76066 159.208 167.387 159.208 -2.15642 GPRESSURE: 2312800 -4.09699 18.6228 128.644 27.7435 -10.1712 148.036 192.526 208.271 83.953 PRESSAVG: 2312800 2.0564 25.3877 33.174 25.3876 -4.19738 64.8199 33.174 64.8198 8.24008 GPRESSAVG: 2312800 0.621179 26.5709 31.5095 23.7871 -3.76265 62.6247 34.998 65.7949 9.00724 TIMING: 2312800 CPU: 6703.07, 0.00293566/step Wall: 6703.07, 0.00293566/step, 2.1913 hours remaining, 208.980469 MB of memory in use. ENERGY: 2312800 746.4922 2099.4297 1959.2148 111.0272 -206681.4648 18054.6085 0.0000 0.0000 34117.5639 -149593.1285 297.9572 -183710.6924 -149501.7691 297.9531 -6.9530 23.2283 558436.1015 2.0330 1.9553 PRESSURE: 2313000 86.5301 43.485 -82.66 43.4846 149.22 177.06 -82.6597 177.06 -170.232 GPRESSURE: 2313000 72.152 120.56 48.2716 36.2056 164.991 266.313 -157.824 61.7852 -73.9972 PRESSAVG: 2313000 -60.4944 16.9586 7.44056 16.9585 86.4987 27.6218 7.44068 27.6218 -23.5132 GPRESSAVG: 2313000 -59.3546 16.2897 9.20568 19.3536 85.8466 28.007 5.83545 25.1594 -23.7771 TIMING: 2313000 CPU: 6703.65, 0.00289073/step Wall: 6703.65, 0.00289072/step, 2.1576 hours remaining, 208.980469 MB of memory in use. ENERGY: 2313000 754.4505 2068.4716 1946.5014 113.0482 -206576.5548 17993.5806 0.0000 0.0000 33969.8731 -149730.6294 296.6674 -183700.5025 -149633.5113 297.2277 21.8393 54.3819 557190.8331 0.8304 0.9050 PRESSURE: 2313200 110.774 9.49775 -164.28 9.49757 158.183 23.1216 -164.279 23.1196 -5.83242 GPRESSURE: 2313200 148.126 -4.27408 -193.782 20.41 199.024 12.9347 -142.676 18.5145 23.1827 PRESSAVG: 2313200 -18.3299 -2.48808 -78.6909 -2.48816 10.2311 -12.027 -78.6909 -12.0271 -8.36132 GPRESSAVG: 2313200 -18.7314 -0.992835 -79.134 -2.92466 11.8679 -11.5369 -77.3461 -8.66316 -9.6646 TIMING: 2313200 CPU: 6704.23, 0.00291238/step Wall: 6704.23, 0.00291238/step, 2.17361 hours remaining, 208.980469 MB of memory in use. ENERGY: 2313200 731.5550 2117.7146 1933.4222 115.8085 -206990.1712 18076.3444 0.0000 0.0000 34307.2697 -149708.0567 299.6139 -184015.3264 -149605.2931 297.6014 87.7080 123.4442 555964.5108 -5.4867 -5.5094 PRESSURE: 2313400 -193.588 -21.2185 -110.398 -21.2188 -195.226 22.9849 -110.399 22.9848 16.0691 GPRESSURE: 2313400 -171.717 5.61355 -177.132 -92.5203 -154.28 75.802 -19.5859 35.6818 51.1625 PRESSAVG: 2313400 -4.23622 -47.7742 27.1157 -47.7742 57.4968 -13.0359 27.1157 -13.036 -18.3767 GPRESSAVG: 2313400 -3.345 -47.9448 25.8961 -48.664 55.5832 -12.8702 28.4487 -14.1823 -16.8187 TIMING: 2313400 CPU: 6704.81, 0.00288111/step Wall: 6704.81, 0.00288111/step, 2.15011 hours remaining, 209.234375 MB of memory in use. ENERGY: 2313400 753.3765 2131.1608 1938.1283 108.2107 -206652.0779 17759.1926 0.0000 0.0000 34237.2174 -149724.7917 299.0021 -183962.0091 -149634.4875 298.3019 -124.2485 -91.6113 558765.5166 11.6280 11.8065 PRESSURE: 2313600 -273.956 88.4567 -4.18824 88.4565 -69.158 -49.7972 -4.18872 -49.7957 -209.3 GPRESSURE: 2313600 -205.779 125.347 0.398738 67.9815 -78.2239 -0.834384 -83.7497 -79.2725 -167.111 PRESSAVG: 2313600 -109.002 45.2315 -41.1744 45.2315 110.614 -65.4092 -41.1746 -65.4091 -21.6826 GPRESSAVG: 2313600 -110.284 42.3934 -41.2334 46.219 112.378 -62.8388 -41.0789 -65.9047 -22.424 TIMING: 2313600 CPU: 6705.39, 0.00289999/step Wall: 6705.39, 0.00289999/step, 2.16403 hours remaining, 209.234375 MB of memory in use. ENERGY: 2313600 738.5723 2113.3253 1935.1819 116.6802 -206351.5276 17644.4223 0.0000 0.0000 34035.2183 -149768.1273 297.2380 -183803.3455 -149664.3652 297.8423 -184.1380 -150.3711 558714.9965 -6.6901 -6.7769 PRESSURE: 2313800 -376.436 -88.9695 43.1184 -88.9694 -199.499 -81.1326 43.1194 -81.1319 -123.916 GPRESSURE: 2313800 -354.356 -87.2674 -45.8866 -153.928 -152.49 -108.151 115.855 -17.0318 -106.457 PRESSAVG: 2313800 -27.1783 -0.732842 -31.2279 -0.732866 30.0647 -0.93486 -31.2279 -0.934925 11.9344 GPRESSAVG: 2313800 -26.8475 1.28366 -31.4876 -1.30456 29.1572 -3.49495 -31.5639 -2.58181 12.062 TIMING: 2313800 CPU: 6705.96, 0.00288862/step Wall: 6705.96, 0.00288862/step, 2.15539 hours remaining, 209.234375 MB of memory in use. ENERGY: 2313800 725.7399 2125.8048 1932.0473 118.3762 -206365.4146 17596.9497 0.0000 0.0000 34180.6758 -149685.8207 298.5083 -183866.4966 -149587.5009 298.3232 -233.2838 -204.4345 558613.7984 4.9402 4.7905 PRESSURE: 2314000 64.6178 -230.918 -27.2953 -230.918 84.3764 -85.6459 -27.2963 -85.6439 17.3272 GPRESSURE: 2314000 129.467 -162.369 -0.533806 -205.827 75.2908 -117.73 -17.408 -62.1788 62.826 PRESSAVG: 2314000 18.3244 -16.3448 -40.2214 -16.3448 -28.2167 -48.9062 -40.2214 -48.906 -30.2763 GPRESSAVG: 2314000 18.5298 -16.1055 -38.2187 -18.5542 -28.4283 -47.3832 -40.7024 -49.0679 -30.2892 TIMING: 2314000 CPU: 6706.54, 0.00288934/step Wall: 6706.54, 0.00288934/step, 2.15577 hours remaining, 209.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2314000 724.3621 2057.9225 1951.7108 116.2971 -206865.1117 18078.4441 0.0000 0.0000 34248.5355 -149687.8397 299.1010 -183936.3752 -149587.7400 297.9295 55.4405 89.1946 557465.4486 -13.3895 -13.3959 PRESSURE: 2314200 -199.469 -67.8656 -0.230658 -67.8666 -335.669 -26.634 -0.230101 -26.6337 -50.7788 GPRESSURE: 2314200 -182.734 -49.3291 44.0148 -77.4808 -254.79 -64.1558 -9.27513 -60.8122 -48.3712 PRESSAVG: 2314200 -22.6752 -49.1247 13.1388 -49.1248 20.6314 -0.977308 13.1387 -0.977415 -5.21895 GPRESSAVG: 2314200 -23.0645 -49.2156 11.2645 -47.9354 19.907 -2.44417 13.5526 0.402832 -4.70851 TIMING: 2314200 CPU: 6707.12, 0.00287126/step Wall: 6707.12, 0.00287126/step, 2.14212 hours remaining, 209.234375 MB of memory in use. ENERGY: 2314200 748.1925 2087.2707 1942.4087 105.6633 -206514.1199 17758.3186 0.0000 0.0000 34079.3864 -149792.8798 297.6238 -183872.2662 -149694.2788 298.6388 -195.3055 -161.9650 557920.1820 -2.4209 -2.6220 PRESSURE: 2314400 337.694 105.505 -65.447 105.505 71.225 -60.016 -65.4464 -60.0158 204.99 GPRESSURE: 2314400 411.8 77.5611 -122.129 31.9904 83.6981 -22.3731 -44.2669 -43.0278 219.775 PRESSAVG: 2314400 13.8741 16.0153 22.1815 16.0152 30.6667 -33.4918 22.1817 -33.4917 -33.7335 GPRESSAVG: 2314400 14.0225 15.9213 21.2101 16.1599 31.075 -31.1246 22.2302 -33.1408 -34.6446 TIMING: 2314400 CPU: 6707.69, 0.00288327/step Wall: 6707.69, 0.00288327/step, 2.15092 hours remaining, 209.234375 MB of memory in use. ENERGY: 2314400 739.2776 2130.3629 1944.6367 103.1008 -207079.7282 18125.7476 0.0000 0.0000 34345.5736 -149691.0290 299.9484 -184036.6025 -149600.3233 298.0264 204.6363 238.4242 557056.2492 3.6024 3.4843 PRESSURE: 2314600 -121.676 -43.5655 29.2426 -43.5654 -39.3009 -177.87 29.2429 -177.872 -170.876 GPRESSURE: 2314600 -39.566 -106.121 87.5175 -20.1971 -65.2994 -140.091 -21.5125 -177.989 -139.205 PRESSAVG: 2314600 71.1976 22.2599 -10.7978 22.2598 -17.6137 -14.6224 -10.7977 -14.6225 2.30014 GPRESSAVG: 2314600 71.4297 21.5742 -12.2108 22.8987 -17.747 -17.0532 -10.2469 -15.1373 2.18653 TIMING: 2314600 CPU: 6708.27, 0.0028979/step Wall: 6708.27, 0.0028979/step, 2.16167 hours remaining, 209.300781 MB of memory in use. ENERGY: 2314600 756.0327 2106.4844 1955.9175 101.9712 -206333.1666 17642.4645 0.0000 0.0000 34209.4326 -149560.8638 298.7595 -183770.2964 -149465.3447 298.0748 -110.6174 -81.3567 556294.3113 18.6280 18.6231 PRESSURE: 2314800 222.647 85.375 -39.2875 85.3733 29.6383 -48.0893 -39.2864 -48.0922 155.048 GPRESSURE: 2314800 264.036 19.3578 -52.1487 115.089 22.8715 -67.1351 -48.6675 -52.1366 227.57 PRESSAVG: 2314800 27.6357 20.1213 17.3891 20.1213 -23.0159 -48.3812 17.3891 -48.3813 39.8414 GPRESSAVG: 2314800 27.6005 21.3814 20.5902 18.859 -22.9265 -47.9899 14.7864 -48.2682 39.862 TIMING: 2314800 CPU: 6708.85, 0.00288338/step Wall: 6708.85, 0.00288338/step, 2.15068 hours remaining, 209.300781 MB of memory in use. ENERGY: 2314800 747.9288 2063.2505 1943.8020 111.4030 -206702.8233 18160.9634 0.0000 0.0000 34244.9211 -149430.5545 299.0694 -183675.4756 -149341.0757 298.5655 135.7775 171.4927 556458.4536 14.8204 14.8453 PRESSURE: 2315000 -184.391 -32.4194 104.193 -32.4186 -271.51 -122.411 104.193 -122.41 -75.3674 GPRESSURE: 2315000 -166.788 -26.0011 133.239 -51.2454 -251.52 -154.9 4.37134 -96.9182 -7.44709 PRESSAVG: 2315000 46.2158 -21.3557 -2.34259 -21.3558 -19.6695 -47.8199 -2.34264 -47.8199 -28.8306 GPRESSAVG: 2315000 44.9644 -21.8366 -4.60493 -21.3712 -18.2409 -49.0673 -1.58428 -45.0801 -29.0486 TIMING: 2315000 CPU: 6709.42, 0.00288228/step Wall: 6709.42, 0.00288228/step, 2.1497 hours remaining, 209.300781 MB of memory in use. ENERGY: 2315000 744.7666 2139.7568 1952.6465 116.8945 -205942.6246 17601.5740 0.0000 0.0000 34039.5373 -149347.4489 297.2757 -183386.9862 -149254.6620 299.1864 -177.0895 -141.9183 559108.9652 -0.7614 -0.7750 PRESSURE: 2315200 -63.9973 -60.2276 -23.8059 -60.2283 19.1003 -66.5913 -23.8069 -66.5901 -79.4795 GPRESSURE: 2315200 -30.4807 36.3702 -40.8622 -82.6469 59.4827 -100.411 32.489 -33.4773 -58.1395 PRESSAVG: 2315200 47.2422 -36.309 -18.3666 -36.309 -53.666 -0.473982 -18.3666 -0.473944 7.68444 GPRESSAVG: 2315200 47.4614 -37.3449 -17.3604 -33.9721 -54.1091 -0.724849 -17.4964 -1.00144 7.87682 TIMING: 2315200 CPU: 6710, 0.00289391/step Wall: 6710, 0.00289391/step, 2.15821 hours remaining, 209.300781 MB of memory in use. ENERGY: 2315200 716.3721 2155.0800 1934.1813 110.8656 -206271.9539 17794.4593 0.0000 0.0000 34203.1835 -149357.8122 298.7049 -183560.9956 -149252.9106 299.2418 -41.4588 -9.7125 556480.5195 0.4202 0.4097 PRESSURE: 2315400 47.0668 -90.0806 191.687 -90.0808 -68.3254 -25.4232 191.687 -25.4216 312.834 GPRESSURE: 2315400 67.335 -104.241 146.933 -151.323 -36.547 33.2717 182.438 -30.558 359.332 PRESSAVG: 2315400 -18.6281 -46.7021 30.658 -46.7021 -41.749 -41.4986 30.6579 -41.4986 29.2166 GPRESSAVG: 2315400 -17.3638 -47.2095 29.6383 -49.2489 -42.2646 -40.2292 31.9035 -41.3949 28.3586 TIMING: 2315400 CPU: 6710.58, 0.00289484/step Wall: 6710.58, 0.00289484/step, 2.15875 hours remaining, 209.300781 MB of memory in use. ENERGY: 2315400 754.5127 2115.9733 1949.4665 110.5124 -206412.9718 17958.7779 0.0000 0.0000 34294.2318 -149229.4972 299.5001 -183523.7290 -149128.0629 299.2772 97.1917 130.0400 556992.9657 -10.3868 -10.4233 PRESSURE: 2315600 32.7927 -80.5207 133.706 -80.5217 27.2647 -6.04257 133.706 -6.0418 375.043 GPRESSURE: 2315600 69.89 -20.2049 87.1653 -16.9533 43.147 -86.6205 117.589 -4.75117 419.913 PRESSAVG: 2315600 52.6908 32.5632 31.0273 32.5632 -33.7152 30.1739 31.0272 30.1739 -2.62625 GPRESSAVG: 2315600 52.5127 31.5253 31.4843 34.418 -33.8689 27.5586 30.9437 30.09 -2.2635 TIMING: 2315600 CPU: 6711.16, 0.00290614/step Wall: 6711.16, 0.00290614/step, 2.16701 hours remaining, 209.300781 MB of memory in use. ENERGY: 2315600 736.7444 2137.0508 1961.7426 126.2731 -206581.2345 18139.0858 0.0000 0.0000 34291.8099 -149188.5280 299.4789 -183480.3378 -149086.5959 299.5759 145.0333 177.6501 558055.3118 5.4498 5.4601 PRESSURE: 2315800 65.4695 -196.275 -54.9335 -196.274 51.4674 -106.447 -54.9326 -106.448 49.8361 GPRESSURE: 2315800 41.4056 -223.609 -97.3914 -229.018 120.546 -180.046 -106.358 -72.2133 102.442 PRESSAVG: 2315800 53.3979 -18.2451 -3.08101 -18.2451 -57.1751 39.7035 -3.08096 39.7035 -1.27864 GPRESSAVG: 2315800 53.6257 -16.6721 -3.3089 -17.7288 -56.7564 41.6802 -4.29155 36.9575 -2.14145 TIMING: 2315800 CPU: 6711.74, 0.00289889/step Wall: 6711.74, 0.00289889/step, 2.16144 hours remaining, 209.300781 MB of memory in use. ENERGY: 2315800 731.8178 2126.4907 1955.3354 109.7734 -206110.9033 17869.7195 0.0000 0.0000 34095.1753 -149222.5913 297.7616 -183317.7665 -149126.3187 299.6198 55.5910 88.1313 556589.6166 -1.6853 -1.7574 PRESSURE: 2316000 8.16424 -100.396 -209.065 -100.396 -45.7923 47.2791 -209.066 47.2768 -105.769 GPRESSURE: 2316000 -0.882624 -96.5297 -235.658 -96.5392 -22.0514 25.2029 -157.955 85.1314 -27.0831 PRESSAVG: 2316000 74.4894 -25.9182 -7.61588 -25.9182 -46.5154 11.0046 -7.61587 11.0044 9.48942 GPRESSAVG: 2316000 74.0468 -22.6662 -7.42652 -28.9174 -46.5325 12.1332 -8.3171 11.9641 9.81695 TIMING: 2316000 CPU: 6712.32, 0.00289949/step Wall: 6712.32, 0.00289949/step, 2.16173 hours remaining, 209.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2316000 728.3026 2119.0701 1930.5421 102.8067 -206096.5328 17663.9693 0.0000 0.0000 34306.3731 -149245.4689 299.6061 -183551.8420 -149155.9697 299.2353 -47.7991 -16.6724 556846.1136 12.4878 12.4437 PRESSURE: 2316200 -495.152 -119.988 29.7211 -119.988 -256.738 0.448962 29.7203 0.449079 -343.194 GPRESSURE: 2316200 -484.374 -194.918 0.0831342 -42.8272 -215.157 70.3956 -25.9201 -10.9952 -284.385 PRESSAVG: 2316200 19.1572 67.6578 16.6063 67.6578 18.1081 -7.35064 16.6063 -7.35069 -4.20917 GPRESSAVG: 2316200 18.4253 62.5481 17.9973 72.4908 19.0469 -9.07064 18.5197 -6.51074 -4.07465 TIMING: 2316200 CPU: 6712.9, 0.00289962/step Wall: 6712.9, 0.00289962/step, 2.16166 hours remaining, 209.300781 MB of memory in use. ENERGY: 2316200 743.2471 2089.8689 1955.1851 124.8502 -205792.4536 17323.4228 0.0000 0.0000 34411.4398 -149144.4396 300.5237 -183555.8794 -149046.4224 299.7192 -365.0281 -327.9724 558011.3143 11.0187 11.1325 LDB: ============= START OF LOAD BALANCING ============== 6716.29 LDB: ============== END OF LOAD BALANCING =============== 6716.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6716.29 LDB: ============= START OF LOAD BALANCING ============== 6716.58 LDB: Largest compute 4820 load 0.022562 is 19.1% of average load 0.117880 LDB: Average compute 0.001752 is 1.5% of average load 0.117880 LDB: TIME 6716.58 LOAD: AVG 0.11788 MAX 0.177578 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.945 MB LDB: TIME 6716.58 LOAD: AVG 0.11788 MAX 0.177578 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.016 MB LDB: TIME 6716.58 LOAD: AVG 0.11788 MAX 0.177578 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6716.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6716.59 PRESSURE: 2316400 272.204 -2.59956 -39.949 -2.59893 313.135 191.875 -39.9484 191.876 533.379 GPRESSURE: 2316400 293.044 -69.6696 -61.1113 8.6089 303.585 174.114 -162.861 191.17 625.799 PRESSAVG: 2316400 36.3502 -17.4529 -17.8122 -17.4528 -35.8832 9.66786 -17.8122 9.66782 28.609 GPRESSAVG: 2316400 37.2516 -14.039 -18.3316 -21.6905 -36.2285 8.66554 -20.9078 9.9694 28.331 TIMING: 2316400 CPU: 6713.49, 0.00294806/step Wall: 6713.49, 0.00294806/step, 2.19761 hours remaining, 209.429688 MB of memory in use. ENERGY: 2316400 736.3135 2058.6104 1970.4844 119.7631 -206618.2017 18293.4934 0.0000 0.0000 34204.7431 -149234.7937 298.7185 -183439.5368 -149142.8802 299.2090 372.9060 407.4760 555541.0688 9.6920 9.7847 PRESSURE: 2316600 -25.225 12.3196 90.1364 12.3198 -191.465 114.387 90.138 114.387 -25.9815 GPRESSURE: 2316600 2.9903 45.468 47.492 -13.1906 -89.5359 145.403 109.22 63.6866 -47.3839 PRESSAVG: 2316600 5.05806 11.9977 -45.7086 11.9977 -28.601 9.743 -45.7086 9.74308 45.1897 GPRESSAVG: 2316600 4.23067 9.39636 -46.8759 13.2342 -27.157 10.7127 -45.0037 10.2496 45.2525 TIMING: 2316600 CPU: 6714.07, 0.00287921/step Wall: 6714.07, 0.00287921/step, 2.14613 hours remaining, 209.429688 MB of memory in use. ENERGY: 2316600 800.1195 2109.5646 1932.0629 117.6977 -206305.0081 17741.2222 0.0000 0.0000 34380.0286 -149224.3127 300.2493 -183604.3413 -149135.2653 299.0338 -80.8906 -44.6432 555887.7408 7.2156 7.4421 PRESSURE: 2316800 -99.2052 -7.98763 52.9789 -7.98739 -140.592 -73.5671 52.9789 -73.5665 146.808 GPRESSURE: 2316800 -80.5205 -68.5881 65.7336 28.8147 -89.3513 -72.7541 72.6139 -136.417 180.91 PRESSAVG: 2316800 -4.94253 -18.4319 -31.9865 -18.4319 -41.1521 2.50176 -31.9865 2.50187 36.0136 GPRESSAVG: 2316800 -5.12746 -18.237 -31.4112 -19.1027 -43.3044 4.05722 -30.8601 0.0623225 37.7745 TIMING: 2316800 CPU: 6714.65, 0.00288536/step Wall: 6714.65, 0.00288536/step, 2.15055 hours remaining, 209.429688 MB of memory in use. ENERGY: 2316800 738.6589 2121.1914 1947.2158 124.1926 -205877.8063 17637.6013 0.0000 0.0000 34376.5943 -148932.3520 300.2193 -183308.9463 -148831.5329 300.1554 -30.9965 3.6795 557146.5398 -3.3603 -3.5525 PRESSURE: 2317000 124.094 78.0925 43.8797 78.0914 -87.3812 204.48 43.8783 204.481 -122.7 GPRESSURE: 2317000 189.245 28.9192 11.6275 127.916 -105.305 218.456 45.549 151.8 -76.6345 PRESSAVG: 2317000 21.8102 4.89308 -56.0489 4.89306 -15.9245 56.1172 -56.0488 56.1172 1.06101 GPRESSAVG: 2317000 22.9625 4.12098 -55.7575 4.41371 -16.2686 56.6632 -55.9107 58.2408 0.0776029 TIMING: 2317000 CPU: 6715.22, 0.00287319/step Wall: 6715.22, 0.00287319/step, 2.14132 hours remaining, 209.429688 MB of memory in use. ENERGY: 2317000 756.4712 2066.1112 1935.0814 112.5478 -205857.7739 17575.8326 0.0000 0.0000 34341.1872 -149070.5425 299.9101 -183411.7296 -148971.8646 300.5787 -28.6626 2.4352 556364.6389 2.3156 2.2572 PRESSURE: 2317200 -232.562 -69.5277 -157.26 -69.5268 -272.589 190.357 -157.261 190.356 -240.985 GPRESSURE: 2317200 -148.49 8.48894 -113.318 -135.63 -259.096 173.11 -191.191 176.863 -248.171 PRESSAVG: 2317200 54.5053 20.7735 34.1416 20.7735 18.5163 77.6487 34.1415 77.6487 -63.5703 GPRESSAVG: 2317200 52.3565 21.0919 35.3576 21.6169 19.5776 77.4768 33.9142 74.9579 -62.5003 TIMING: 2317200 CPU: 6715.8, 0.00289363/step Wall: 6715.8, 0.00289363/step, 2.1564 hours remaining, 209.429688 MB of memory in use. ENERGY: 2317200 748.3185 2126.8889 1938.6942 111.3132 -205471.2977 17261.1753 0.0000 0.0000 34204.2124 -149080.6952 298.7139 -183284.9076 -148982.9975 299.3676 -248.7119 -218.5860 557268.3626 3.1504 3.1446 PRESSURE: 2317400 -75.6098 111.906 -111.372 111.905 87.2431 -113.007 -111.371 -113.008 32.563 GPRESSURE: 2317400 -32.6284 67.4895 -72.7721 145.342 153.366 -170.947 -93.4931 -62.6664 1.52467 PRESSAVG: 2317400 49.8707 20.5828 -16.7627 20.5828 -47.6252 20.6141 -16.7627 20.6142 6.14834 GPRESSAVG: 2317400 50.3483 22.6288 -16.8294 21.2096 -47.6269 20.3761 -17.1509 20.9287 5.81993 TIMING: 2317400 CPU: 6716.38, 0.00289459/step Wall: 6716.38, 0.00289459/step, 2.15695 hours remaining, 209.429688 MB of memory in use. ENERGY: 2317400 771.2840 2076.5089 1930.8179 127.2168 -205843.4874 17616.8113 0.0000 0.0000 34104.7106 -149216.1378 297.8449 -183320.8483 -149131.2824 299.0488 14.7321 40.7539 554920.0017 2.7979 2.8471 PRESSURE: 2317600 -122.206 55.2419 -74.9297 55.2414 -171.091 127.38 -74.9297 127.38 -143.527 GPRESSURE: 2317600 -90.3073 72.2177 -68.6101 43.476 -126.081 216.562 -94.8338 41.8765 -125.265 PRESSAVG: 2317600 -3.89455 -6.5046 -2.64308 -6.50461 40.2992 -39.4898 -2.64302 -39.4898 -21.1342 GPRESSAVG: 2317600 -3.25484 -7.99954 -3.69907 -5.54607 40.9594 -37.9459 -0.962676 -37.5288 -22.0848 TIMING: 2317600 CPU: 6716.95, 0.00288403/step Wall: 6716.95, 0.00288403/step, 2.14892 hours remaining, 209.429688 MB of memory in use. ENERGY: 2317600 753.7398 2059.6143 1952.5703 112.1095 -205645.4389 17365.9891 0.0000 0.0000 34178.9350 -149222.4809 298.4931 -183401.4159 -149130.4636 299.3647 -145.6076 -113.8844 556247.2794 5.0902 5.2066 PRESSURE: 2317800 174.532 -83.6552 -13.4431 -83.656 126.597 43.5011 -13.4422 43.5018 241.897 GPRESSURE: 2317800 176.317 -96.7761 -65.0128 12.5232 153.19 43.6983 24.2683 92.7658 312.006 PRESSAVG: 2317800 29.5755 -10.2652 12.1739 -10.2652 14.9063 -19.1807 12.174 -19.1808 -42.1331 GPRESSAVG: 2317800 29.969 -11.2883 12.6254 -10.3557 14.2078 -23.3605 11.2426 -17.3794 -41.6912 TIMING: 2317800 CPU: 6717.53, 0.00287896/step Wall: 6717.53, 0.00287896/step, 2.14498 hours remaining, 209.429688 MB of memory in use. ENERGY: 2317800 720.6669 2082.9215 1941.2988 113.2178 -206308.3785 17918.2642 0.0000 0.0000 34263.4746 -149268.5347 299.2314 -183532.0093 -149177.7297 298.9631 181.0087 213.8379 556063.1257 0.7829 0.8285 PRESSURE: 2318000 -143.178 -66.3989 69.3831 -66.3987 4.05003 -89.1951 69.3835 -89.1962 -106.95 GPRESSURE: 2318000 -46.4005 -41.4105 235.006 -72.064 54.6524 -103.341 -15.2717 -58.4526 -149.652 PRESSAVG: 2318000 9.64242 -35.2051 -7.92176 -35.205 -15.0125 25.6328 -7.92171 25.6327 18.5441 GPRESSAVG: 2318000 9.07618 -33.0826 -9.07455 -36.9512 -14.0084 26.9919 -7.04689 25.7254 18.0963 TIMING: 2318000 CPU: 6718.11, 0.002877/step Wall: 6718.11, 0.002877/step, 2.14336 hours remaining, 209.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2318000 725.3109 2085.8645 1951.1605 115.3390 -205538.3150 17641.3450 0.0000 0.0000 34012.2600 -149007.0351 297.0375 -183019.2952 -148909.0307 299.7169 -82.0260 -47.1334 558799.5484 4.3914 4.3880 PRESSURE: 2318200 136.622 -52.1188 -131.06 -52.1181 -94.2018 -183.502 -131.059 -183.503 -93.5243 GPRESSURE: 2318200 218.98 -74.6213 -110.621 -18.653 -78.3419 -113.686 -82.3515 -156.155 -91.5675 PRESSAVG: 2318200 -35.1855 -35.9307 -31.4685 -35.9307 4.96089 -59.8566 -31.4686 -59.8566 20.3055 GPRESSAVG: 2318200 -34.527 -34.1054 -34.1729 -35.3855 4.47173 -57.9823 -29.5405 -63.176 20.8882 TIMING: 2318200 CPU: 6718.68, 0.00288034/step Wall: 6718.68, 0.00288034/step, 2.1457 hours remaining, 209.429688 MB of memory in use. ENERGY: 2318200 715.5665 2148.9713 1931.4037 106.4052 -206293.7070 17953.9796 0.0000 0.0000 34321.2399 -149116.1409 299.7359 -183437.3808 -149019.4998 299.2089 -17.0347 16.3570 558261.8461 -3.3064 -3.0557 PRESSURE: 2318400 -33.1814 55.1078 26.7109 55.1092 -26.6037 -37.7268 26.7112 -37.7273 -307.131 GPRESSURE: 2318400 -61.5087 26.3294 70.9505 155.751 37.1611 -40.3765 9.79662 -58.0889 -247.118 PRESSAVG: 2318400 35.7341 -15.261 -42.5437 -15.261 -17.4412 -13.9285 -42.5436 -13.9285 -3.57659 GPRESSAVG: 2318400 35.6484 -17.3002 -37.6428 -14.4905 -16.8204 -17.0013 -45.5675 -12.3421 -3.8596 TIMING: 2318400 CPU: 6719.26, 0.00288928/step Wall: 6719.26, 0.00288928/step, 2.15219 hours remaining, 209.429688 MB of memory in use. ENERGY: 2318400 730.4232 2052.1892 1909.5393 101.5907 -206198.7305 17807.2176 0.0000 0.0000 34346.8777 -149250.8929 299.9598 -183597.7706 -149154.2225 300.3556 -122.3055 -90.4885 557306.0454 4.9054 4.9895 PRESSURE: 2318600 -106.749 -5.40523 -4.80852 -5.40574 94.5015 101.096 -4.80648 101.095 -64.0596 GPRESSURE: 2318600 -88.5559 45.6774 14.6301 -31.8444 146.511 52.1105 -25.7731 159.958 -37.0271 PRESSAVG: 2318600 22.961 -8.89513 3.80288 -8.89509 14.6929 45.4734 3.80286 45.4733 1.49449 GPRESSAVG: 2318600 22.1612 -8.69228 3.22858 -8.8516 14.5199 46.104 3.30454 44.7464 2.15706 TIMING: 2318600 CPU: 6719.83, 0.00287412/step Wall: 6719.83, 0.00287412/step, 2.14074 hours remaining, 209.429688 MB of memory in use. ENERGY: 2318600 747.0326 2094.7958 1962.6298 100.8828 -206228.6175 17864.9547 0.0000 0.0000 34256.2147 -149202.1072 299.1680 -183458.3218 -149110.8519 298.7018 -25.4358 6.9759 556844.4382 13.0495 12.9461 PRESSURE: 2318800 93.6453 -6.39636 -18.3937 -6.39702 58.5376 43.3353 -18.394 43.3348 34.3526 GPRESSURE: 2318800 129.036 57.0777 123.92 -58.766 58.9898 19.2341 50.8286 36.287 104.742 PRESSAVG: 2318800 4.68083 66.5378 2.07813 66.5376 -28.6492 36.6013 2.07818 36.6013 58.1789 GPRESSAVG: 2318800 4.76304 64.2383 2.00361 70.2607 -28.429 38.3835 2.91599 35.3073 57.8442 TIMING: 2318800 CPU: 6720.41, 0.00287852/step Wall: 6720.41, 0.00287852/step, 2.14386 hours remaining, 209.429688 MB of memory in use. ENERGY: 2318800 735.9108 2074.4003 1934.0313 105.7668 -206146.5143 17887.4288 0.0000 0.0000 34264.3941 -149144.5822 299.2395 -183408.9763 -149051.4909 299.3672 62.1785 97.5893 557502.6272 11.4035 11.3928 PRESSURE: 2319000 -77.3713 -117.714 179.493 -117.713 -40.3969 91.7845 179.494 91.7855 374.054 GPRESSURE: 2319000 -90.7592 -78.8623 112.662 -116.546 40.8865 63.3797 174.287 101.324 407.406 PRESSAVG: 2319000 -29.208 7.53744 56.2591 7.53745 -50.9977 61.5146 56.2592 61.5146 68.2571 GPRESSAVG: 2319000 -28.954 8.07747 54.0875 4.75068 -50.9234 61.6575 56.3483 62.492 67.9989 TIMING: 2319000 CPU: 6720.99, 0.00288914/step Wall: 6720.99, 0.00288914/step, 2.1516 hours remaining, 209.429688 MB of memory in use. ENERGY: 2319000 720.0174 2117.2113 1950.7193 107.1872 -206098.8368 17795.5461 0.0000 0.0000 34246.5700 -149161.5856 299.0838 -183408.1556 -149071.4272 298.8419 85.4287 119.1777 556346.5771 -3.9829 -3.9595 PRESSURE: 2319200 66.6172 -20.2256 21.4916 -20.2253 -176.169 118.928 21.492 118.929 -22.8625 GPRESSURE: 2319200 59.0926 126.191 -45.5162 -79.4419 -98.0812 180.657 9.43329 38.6408 9.64309 PRESSAVG: 2319200 -9.78554 45.9554 -32.1115 45.9553 -66.1047 36.1012 -32.1114 36.1012 76.7846 GPRESSAVG: 2319200 -9.49734 48.6195 -31.7637 43.8787 -65.2873 34.1703 -32.3027 38.6457 75.9008 TIMING: 2319200 CPU: 6721.57, 0.00288645/step Wall: 6721.57, 0.00288645/step, 2.14945 hours remaining, 209.429688 MB of memory in use. ENERGY: 2319200 715.3771 2038.6222 1950.1041 108.1281 -205575.3098 17584.9058 0.0000 0.0000 34058.6669 -149119.5056 297.4428 -183178.1725 -149019.8597 298.9401 -44.1379 -9.7818 557143.4897 0.2981 0.3721 PRESSURE: 2319400 -115.971 -100.805 -38.8572 -100.805 -216.584 -83.1126 -38.8566 -83.1128 6.85647 GPRESSURE: 2319400 -76.2619 -84.2731 -38.3423 -182.381 -197.234 -13.195 7.81063 -111.932 48.8387 PRESSAVG: 2319400 -15.2076 -16.7868 -28.5113 -16.7869 8.72899 11.1178 -28.5114 11.1177 49.4696 GPRESSAVG: 2319400 -15.4099 -18.4662 -26.1773 -15.1328 9.06703 13.2772 -28.41 8.56983 50.0387 TIMING: 2319400 CPU: 6722.14, 0.00289095/step Wall: 6722.14, 0.00289095/step, 2.15264 hours remaining, 209.429688 MB of memory in use. ENERGY: 2319400 760.5687 2090.9546 1972.1194 109.6498 -206116.4988 17604.5408 0.0000 0.0000 34351.3290 -149227.3365 299.9987 -183578.6656 -149130.6762 298.6311 -108.5661 -74.8858 556426.3298 14.3303 14.5653 PRESSURE: 2319600 -0.28926 123.675 -184.82 123.676 1.78464 -51.9889 -184.82 -51.9889 50.6387 GPRESSURE: 2319600 53.1489 114.69 -128.329 247.148 47.4746 50.8557 -110.194 -173.034 50.9462 PRESSAVG: 2319600 -86.2217 7.96531 -51.013 7.96521 4.23192 -5.26248 -51.013 -5.26255 50.1733 GPRESSAVG: 2319600 -85.869 9.36083 -53.1539 6.26485 3.01351 -3.98042 -51.0811 -7.95882 50.9363 TIMING: 2319600 CPU: 6722.72, 0.00288972/step Wall: 6722.72, 0.00288973/step, 2.15156 hours remaining, 209.429688 MB of memory in use. ENERGY: 2319600 752.8321 2033.8137 1939.9599 118.3645 -206411.4372 17845.4847 0.0000 0.0000 34358.3488 -149362.6334 300.0600 -183720.9823 -149256.9367 298.4615 17.3780 50.5232 556192.3362 -10.6055 -10.6397 PRESSURE: 2319800 -297.671 -152.324 -166.848 -152.324 -257.368 55.4782 -166.847 55.4779 -155.028 GPRESSURE: 2319800 -337.435 -55.6537 -129.19 -153.94 -204.308 71.5903 -188.702 9.58421 -76.3704 PRESSAVG: 2319800 -42.9338 37.3318 -32.9261 37.3318 10.7793 -17.3777 -32.926 -17.3777 20.1299 GPRESSAVG: 2319800 -43.6514 36.2477 -32.1989 39.2795 10.2842 -19.8618 -33.9221 -13.5819 21.0387 TIMING: 2319800 CPU: 6723.3, 0.00289528/step Wall: 6723.3, 0.00289528/step, 2.15554 hours remaining, 209.429688 MB of memory in use. ENERGY: 2319800 758.9736 2073.7929 1935.3637 110.5116 -205766.4752 17455.6922 0.0000 0.0000 34186.8717 -149245.2695 298.5625 -183432.1412 -149146.8742 298.5497 -236.6892 -206.0375 558645.8937 -4.0082 -4.1095 PRESSURE: 2320000 -142.151 -32.9116 28.3542 -32.9108 174.049 137.397 28.3553 137.395 -120.615 GPRESSURE: 2320000 -117.098 -61.9839 101.334 57.827 231.514 93.3362 -20.3036 155.766 -108.494 PRESSAVG: 2320000 -4.5742 11.5432 -39.6543 11.5433 30.0083 -15.9625 -39.6544 -15.9625 18.0535 GPRESSAVG: 2320000 -5.55771 11.8519 -38.8567 12.2273 32.0541 -15.2347 -39.1041 -17.6709 17.045 TIMING: 2320000 CPU: 6723.89, 0.00293586/step Wall: 6723.89, 0.00293586/step, 2.18559 hours remaining, 209.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2320000 730.2572 2073.0090 1926.9784 115.4029 -205996.8709 17667.9297 0.0000 0.0000 34251.0149 -149232.2789 299.1226 -183483.2938 -149137.6639 298.4730 -29.5723 1.9742 557143.8940 14.4959 14.5138 PRESSURE: 2320200 -104.169 -67.6083 105.182 -67.6075 -100.431 209.197 105.18 209.196 69.571 GPRESSURE: 2320200 -110.393 -29.4621 86.6701 -60.6493 -57.7099 150.464 125.883 166.494 129.87 PRESSAVG: 2320200 -45.7824 -16.6728 -34.0717 -16.6728 63.7618 61.0897 -34.0717 61.0896 -38.8196 GPRESSAVG: 2320200 -44.2875 -17.0149 -34.5007 -18.5662 62.5492 61.3688 -36.4782 62.9379 -38.8482 TIMING: 2320200 CPU: 6724.47, 0.00290165/step Wall: 6724.47, 0.00290165/step, 2.15996 hours remaining, 209.429688 MB of memory in use. ENERGY: 2320200 727.3961 2128.2490 1936.4796 100.9429 -206060.5226 17562.9149 0.0000 0.0000 34509.9157 -149094.6244 301.3837 -183604.5401 -148996.2160 299.2910 -45.0100 -12.7446 558206.7547 -6.9468 -6.8621 LDB: ============= START OF LOAD BALANCING ============== 6727.85 LDB: ============== END OF LOAD BALANCING =============== 6727.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6727.86 LDB: ============= START OF LOAD BALANCING ============== 6728.15 LDB: Largest compute 4820 load 0.023439 is 19.9% of average load 0.117875 LDB: Average compute 0.001752 is 1.5% of average load 0.117875 LDB: TIME 6728.15 LOAD: AVG 0.117875 MAX 0.179054 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.891 MB LDB: TIME 6728.15 LOAD: AVG 0.117875 MAX 0.179054 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: TIME 6728.15 LOAD: AVG 0.117875 MAX 0.179054 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: ============== END OF LOAD BALANCING =============== 6728.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6728.15 PRESSURE: 2320400 29.7781 -71.1645 -45.4259 -71.1636 -46.7584 150.966 -45.4267 150.968 10.2806 GPRESSURE: 2320400 8.6143 -52.0442 -46.6379 -39.6187 -27.3897 134.281 -24.9098 127.485 100.05 PRESSAVG: 2320400 -21.5025 -17.7773 -20.4656 -17.7773 47.3593 7.49838 -20.4656 7.49834 -15.637 GPRESSAVG: 2320400 -21.4515 -20.0237 -20.0163 -14.4537 46.3796 8.84878 -18.4708 5.62983 -15.059 TIMING: 2320400 CPU: 6725.06, 0.00295469/step Wall: 6725.06, 0.00295469/step, 2.19928 hours remaining, 208.652344 MB of memory in use. ENERGY: 2320400 765.2901 2031.9884 1955.5376 117.2669 -205896.3987 17700.1294 0.0000 0.0000 34268.5731 -149057.6133 299.2760 -183326.1864 -148964.4403 299.8894 -2.2332 27.0915 557472.9934 3.4066 3.2897 PRESSURE: 2320600 -143.534 -32.4861 -92.6518 -32.4859 -318.277 110.579 -92.6514 110.579 -386.159 GPRESSURE: 2320600 -86.2315 -2.31832 -35.1741 -90.3143 -253.813 101.023 -105.903 189.633 -416.145 PRESSAVG: 2320600 13.2547 -11.8316 -28.2763 -11.8315 -13.4625 1.19277 -28.2763 1.19268 -19.9691 GPRESSAVG: 2320600 12.2317 -11.0874 -29.1566 -13.8516 -13.0937 -2.16693 -27.5489 4.92064 -19.4684 TIMING: 2320600 CPU: 6725.63, 0.00287486/step Wall: 6725.63, 0.00287486/step, 2.1397 hours remaining, 208.652344 MB of memory in use. ENERGY: 2320600 773.3503 2066.1686 1922.6953 112.7640 -205877.2902 17476.3495 0.0000 0.0000 34282.3651 -149243.5974 299.3964 -183525.9625 -149149.5490 299.5503 -282.6567 -252.0633 559055.6192 -6.7256 -6.7768 PRESSURE: 2320800 52.513 183.615 77.7316 183.615 41.1521 -142.167 77.7319 -142.168 -9.00695 GPRESSURE: 2320800 54.5343 170.87 155.234 171.597 135.026 -24.9882 172.314 -138.799 4.64345 PRESSAVG: 2320800 -39.223 -1.78394 16.2253 -1.78397 26.9603 44.5619 16.2253 44.5619 16.9146 GPRESSAVG: 2320800 -37.8768 -0.53868 15.8592 -1.39026 26.4977 46.1871 16.8802 43.1509 16.2229 TIMING: 2320800 CPU: 6726.21, 0.00287351/step Wall: 6726.21, 0.00287351/step, 2.13853 hours remaining, 208.652344 MB of memory in use. ENERGY: 2320800 741.9491 2046.8808 1912.6770 126.9582 -206415.0093 18073.1482 0.0000 0.0000 34026.7316 -149486.6645 297.1639 -183513.3960 -149385.3793 298.1880 28.2194 64.7346 558674.2512 1.5506 1.6146 PRESSURE: 2321000 -247.074 8.93429 -5.98145 8.93361 155.641 -243.404 -5.98073 -243.405 -37.2198 GPRESSURE: 2321000 -239.14 -90.4141 -9.67994 26.9674 205.738 -159.87 74.9201 -287.267 9.56611 PRESSAVG: 2321000 -24.8644 -14.0942 35.1928 -14.0942 -15.7592 -26.9951 35.1927 -26.9952 8.68404 GPRESSAVG: 2321000 -26.2403 -14.3783 37.074 -13.2579 -14.7158 -25.3512 35.0592 -28.306 9.21619 TIMING: 2321000 CPU: 6726.79, 0.00289274/step Wall: 6726.79, 0.00289274/step, 2.15268 hours remaining, 208.652344 MB of memory in use. ENERGY: 2321000 723.8239 2046.5547 1939.5717 113.2838 -206252.2367 17758.8257 0.0000 0.0000 34192.6050 -149477.5719 298.6125 -183670.1769 -149386.0051 297.9489 -42.8841 -7.9453 558604.2047 -10.6465 -10.5800 PRESSURE: 2321200 -188.868 61.3701 55.8021 61.3699 -234.843 -148.866 55.8016 -148.866 -15.1331 GPRESSURE: 2321200 -105.66 4.49812 103.56 94.199 -244.284 -157.554 72.4754 -177.14 17.2518 PRESSAVG: 2321200 -14.3693 58.8146 19.7708 58.8147 8.47614 -67.3276 19.7707 -67.3277 -13.278 GPRESSAVG: 2321200 -14.0121 58.613 16.6648 56.7347 7.33529 -69.862 20.7772 -67.4853 -12.2431 TIMING: 2321200 CPU: 6727.37, 0.00289032/step Wall: 6727.37, 0.00289032/step, 2.15072 hours remaining, 208.652344 MB of memory in use. ENERGY: 2321200 761.4480 2095.8041 1996.7500 112.0777 -206332.6688 17713.6290 0.0000 0.0000 34285.1840 -149367.7759 299.4210 -183652.9600 -149271.7845 299.2279 -146.2816 -110.8977 559036.9951 -6.3904 -6.3066 PRESSURE: 2321400 -35.6305 11.7202 170.062 11.7218 179.667 -47.8389 170.063 -47.8399 167.81 GPRESSURE: 2321400 -8.34417 79.2127 154.389 3.98751 192.423 -61.757 172.95 14.2429 228.12 PRESSAVG: 2321400 -22.9283 58.1714 66.1689 58.1715 25.9531 -28.7327 66.1689 -28.7328 19.5145 GPRESSAVG: 2321400 -22.0321 58.7324 67.7681 58.8586 26.8335 -28.7794 62.9326 -27.1652 18.0925 TIMING: 2321400 CPU: 6727.94, 0.00289071/step Wall: 6727.94, 0.00289071/step, 2.15085 hours remaining, 208.652344 MB of memory in use. ENERGY: 2321400 730.5122 2062.7039 1961.6858 115.1063 -206183.1988 17933.5471 0.0000 0.0000 34216.0647 -149163.5790 298.8174 -183379.6437 -149064.9776 299.0252 103.9486 137.3997 556906.9975 7.5131 7.6313 PRESSURE: 2321600 -272.685 -6.8917 -27.9091 -6.89152 228.63 -78.5768 -27.9093 -78.5755 -145.255 GPRESSURE: 2321600 -212.035 17.9899 62.1765 -22.5241 254.862 -41.6898 -37.0997 -84.9272 -120.668 PRESSAVG: 2321600 43.8207 21.5521 0.601731 21.552 -15.434 -29.2398 0.601774 -29.2398 -13.0574 GPRESSAVG: 2321600 43.5565 19.8934 1.58378 22.631 -16.373 -30.245 0.607355 -27.6519 -12.1124 TIMING: 2321600 CPU: 6728.52, 0.00290177/step Wall: 6728.52, 0.00290177/step, 2.15891 hours remaining, 208.652344 MB of memory in use. ENERGY: 2321600 726.4424 2112.1951 1952.8395 119.7325 -205844.0603 17515.7637 0.0000 0.0000 34095.5526 -149321.5346 297.7649 -183417.0871 -149228.2695 299.5200 -63.1033 -25.9470 556071.9299 5.1098 5.0237 PRESSURE: 2321800 -25.494 -84.0774 36.2895 -84.0769 -143.573 -15.1372 36.2893 -15.1361 8.12777 GPRESSURE: 2321800 -16.3978 -89.2214 16.8222 -44.4624 -68.2849 -90.2946 39.7122 151.318 18.5778 PRESSAVG: 2321800 73.6346 -13.9499 23.9359 -13.9499 57.8386 -42.1921 23.9358 -42.1921 -94.3783 GPRESSAVG: 2321800 73.6284 -12.1107 22.6633 -15.7624 59.3612 -40.8536 25.2294 -44.6046 -95.9883 TIMING: 2321800 CPU: 6729.1, 0.00290388/step Wall: 6729.1, 0.00290388/step, 2.16032 hours remaining, 208.652344 MB of memory in use. ENERGY: 2321800 715.6135 2119.0309 1940.7651 117.9034 -205468.8198 17453.3089 0.0000 0.0000 34025.9328 -149096.2653 297.1569 -183122.1981 -149003.7148 299.5145 -53.6465 -22.0350 556542.3624 12.3650 12.3338 PRESSURE: 2322000 178.471 37.0858 -32.2286 37.0845 -122.528 36.6663 -32.2291 36.6658 -88.0311 GPRESSURE: 2322000 231.353 85.1921 30.529 -81.3372 -139.298 84.8399 -14.4433 -20.7421 -24.1854 PRESSAVG: 2322000 67.855 -19.3576 -21.8309 -19.3578 -91.7685 -0.414603 -21.831 -0.414565 44.9944 GPRESSAVG: 2322000 66.9195 -19.6028 -21.0017 -20.9006 -92.418 -2.02031 -22.3463 0.106002 46.5316 TIMING: 2322000 CPU: 6729.68, 0.00288939/step Wall: 6729.68, 0.00288939/step, 2.14938 hours remaining, 208.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2322000 719.2281 2107.9924 1929.2420 118.4581 -205604.5038 17513.1412 0.0000 0.0000 34144.5902 -149071.8517 298.1932 -183216.4419 -148982.3030 300.0700 -10.6960 22.6231 557137.6266 7.0270 7.0110 PRESSURE: 2322200 265.932 -36.9151 72.6899 -36.9145 -22.1163 70.4806 72.6904 70.4804 -165.723 GPRESSURE: 2322200 229.104 -2.7679 101.739 -7.64007 0.433878 71.4971 56.4245 55.2809 -47.2802 PRESSAVG: 2322200 59.0057 42.1731 14.3103 42.1732 15.8283 -39.9994 14.3103 -39.9994 -64.7549 GPRESSAVG: 2322200 59.615 40.7856 15.7467 45.263 15.6795 -40.2412 13.8494 -41.3487 -64.9806 TIMING: 2322200 CPU: 6730.26, 0.00290407/step Wall: 6730.26, 0.00290407/step, 2.16015 hours remaining, 208.652344 MB of memory in use. ENERGY: 2322200 723.9257 2129.0098 1941.4010 122.4155 -205783.1290 17745.7860 0.0000 0.0000 34079.7530 -149040.8379 297.6270 -183120.5909 -148944.1375 299.4054 26.0308 60.7527 557456.4762 3.3597 3.4380 PRESSURE: 2322400 -183.29 152.832 -51.148 152.832 103.42 -64.6907 -51.1503 -64.6892 55.0893 GPRESSURE: 2322400 -141.607 245.547 28.3753 20.4962 168.407 -88.138 -94.1499 47.0708 39.5916 PRESSAVG: 2322400 15.5914 -5.7811 70.2575 -5.78107 -28.1737 -35.9124 70.2576 -35.9123 22.5845 GPRESSAVG: 2322400 15.2213 -4.50115 69.5756 -8.14941 -28.1101 -35.5799 70.3177 -36.0451 21.8385 TIMING: 2322400 CPU: 6730.84, 0.00290237/step Wall: 6730.84, 0.00290237/step, 2.15872 hours remaining, 208.652344 MB of memory in use. ENERGY: 2322400 753.4836 2065.5624 1935.5763 113.4314 -206041.5932 17709.6568 0.0000 0.0000 34316.8896 -149146.9931 299.6979 -183463.8827 -149046.0466 299.8936 -8.2602 22.1304 556425.3895 3.3341 2.9832 PRESSURE: 2322600 -171.675 -125.26 45.7584 -125.26 125.101 -60.6198 45.7586 -60.6214 -25.756 GPRESSURE: 2322600 -122.571 -102.284 113.583 -117.256 121.158 -119.297 76.3641 25.7136 17.7427 PRESSAVG: 2322600 -48.1808 -1.16878 44.5871 -1.16876 37.3557 17.6731 44.5872 17.673 -40.7053 GPRESSAVG: 2322600 -47.5286 -3.90509 43.174 0.894419 37.2627 18.5601 44.9533 20.0533 -41.1095 TIMING: 2322600 CPU: 6731.42, 0.00289871/step Wall: 6731.42, 0.00289871/step, 2.15584 hours remaining, 208.652344 MB of memory in use. ENERGY: 2322600 796.0244 2128.7037 1980.5803 99.2020 -206187.5928 17643.2604 0.0000 0.0000 34364.0866 -149175.7355 300.1101 -183539.8221 -149083.1271 299.2814 -24.1099 5.4430 555062.0710 -17.1768 -17.1251 PRESSURE: 2322800 -113.62 133.505 67.2644 133.505 -385.018 43.183 67.2637 43.183 -379.121 GPRESSURE: 2322800 -96.6489 129.133 5.60391 156.543 -325.981 -0.256506 97.854 26.0337 -359.453 PRESSAVG: 2322800 21.7002 -14.2237 13.0506 -14.2237 6.61023 -13.5893 13.0507 -13.5893 -14.3632 GPRESSAVG: 2322800 21.7606 -13.4446 13.3481 -15.2666 6.50984 -12.7472 11.6359 -16.145 -14.1577 TIMING: 2322800 CPU: 6732, 0.00286371/step Wall: 6732, 0.00286371/step, 2.12965 hours remaining, 208.652344 MB of memory in use. ENERGY: 2322800 752.3298 2067.2798 1943.7281 117.2887 -205556.8877 17350.3174 0.0000 0.0000 34250.9119 -149075.0320 299.1217 -183325.9439 -148976.3205 299.3880 -292.5863 -260.6943 557082.4232 4.6491 4.7043 PRESSURE: 2323000 11.9946 -10.0786 10.8486 -10.0778 -57.008 -40.9984 10.8487 -40.9978 -38.1799 GPRESSURE: 2323000 21.9908 -44.9201 80.5815 69.0474 13.3107 -24.4061 17.163 -77.0186 -22.7253 PRESSAVG: 2323000 2.05843 -9.76037 -11.0816 -9.76034 20.8727 -52.3194 -11.0816 -52.3193 3.94392 GPRESSAVG: 2323000 2.46804 -10.0279 -8.66818 -10.0588 19.7245 -54.3262 -10.3544 -50.808 4.92166 TIMING: 2323000 CPU: 6732.57, 0.00286831/step Wall: 6732.57, 0.00286831/step, 2.13291 hours remaining, 208.718750 MB of memory in use. ENERGY: 2323000 766.1192 2096.7530 1949.5627 106.1778 -205949.0130 17766.4468 0.0000 0.0000 34281.9432 -148982.0103 299.3927 -183263.9535 -148886.0047 300.4877 -27.7311 4.1921 557194.1704 8.9584 9.0381 PRESSURE: 2323200 307.969 -24.3088 -58.0195 -24.307 47.4372 114.535 -58.0199 114.533 -183.309 GPRESSURE: 2323200 355.961 -55.5952 -146.079 -10.1376 46.8908 184.165 -128.302 32.351 -127.174 PRESSAVG: 2323200 1.2246 24.3857 65.5458 24.3857 46.4639 -31.3935 65.5459 -31.3936 -9.75925 GPRESSAVG: 2323200 1.60485 25.1642 65.1665 24.1603 46.3348 -30.4312 66.0244 -32.1318 -9.66403 TIMING: 2323200 CPU: 6733.15, 0.00287673/step Wall: 6733.15, 0.00287673/step, 2.13901 hours remaining, 208.718750 MB of memory in use. ENERGY: 2323200 744.5779 2143.0462 1926.0715 112.7136 -206131.0865 17742.6325 0.0000 0.0000 34505.5021 -148956.5427 301.3451 -183462.0448 -148862.0385 300.6443 57.3657 91.8925 557073.5243 12.6431 12.7585 PRESSURE: 2323400 74.5255 -100.219 -180.568 -100.219 -100.676 -75.7549 -180.567 -75.7557 44.0937 GPRESSURE: 2323400 94.7497 -141.491 -116.023 -13.834 -90.6304 -17.5168 -86.4486 -73.4724 115.238 PRESSAVG: 2323400 56.1457 18.0805 -55.1096 18.0806 -7.40137 17.8875 -55.1097 17.8876 -26.2488 GPRESSAVG: 2323400 55.9825 18.1663 -57.3133 18.1646 -7.97124 19.0799 -56.0356 17.0631 -26.087 TIMING: 2323400 CPU: 6733.72, 0.00287909/step Wall: 6733.72, 0.00287909/step, 2.1406 hours remaining, 208.718750 MB of memory in use. ENERGY: 2323400 745.5783 2127.0734 1928.9610 116.7176 -206048.8148 17645.0894 0.0000 0.0000 34491.7489 -148993.6462 301.2250 -183485.3951 -148899.8687 300.0912 5.9809 39.7859 555679.3250 7.4985 7.3081 PRESSURE: 2323600 -10.1381 -206.293 159.084 -206.294 -21.2656 4.10351 159.085 4.10476 361.762 GPRESSURE: 2323600 -0.34366 -201.552 181.837 -213.428 17.3963 -13.272 108.509 -6.84796 408.511 PRESSAVG: 2323600 83.4569 -6.64251 -12.2655 -6.64254 -21.8531 -12.9281 -12.2656 -12.9282 -12.7104 GPRESSAVG: 2323600 81.8175 -5.21596 -11.5358 -7.60616 -20.0174 -14.0123 -11.4973 -12.1302 -13.106 TIMING: 2323600 CPU: 6734.3, 0.00290853/step Wall: 6734.3, 0.00290853/step, 2.16233 hours remaining, 208.718750 MB of memory in use. ENERGY: 2323600 741.8890 2125.8472 1934.0533 113.5624 -206572.3795 17943.0009 0.0000 0.0000 34483.2796 -149230.7471 301.1511 -183714.0267 -149132.4230 300.2991 110.1195 141.8545 555297.5628 16.2978 16.2313 PRESSURE: 2323800 113.701 -88.4286 -81.9 -88.4283 -27.1577 -95.5587 -81.9003 -95.559 303.434 GPRESSURE: 2323800 185.142 -119.005 -56.8147 -114.822 -10.1011 -129.241 -127.107 -127.263 315.269 PRESSAVG: 2323800 13.5978 27.3504 5.3505 27.3504 -29.4165 18.5328 5.35045 18.533 28.565 GPRESSAVG: 2323800 14.5279 27.8022 5.09056 25.9792 -30.5131 17.5965 3.86808 19.2315 28.3177 TIMING: 2323800 CPU: 6734.88, 0.00289139/step Wall: 6734.88, 0.00289139/step, 2.14943 hours remaining, 208.718750 MB of memory in use. ENERGY: 2323800 732.4028 2098.8681 1946.0591 122.7529 -206569.2188 17898.3266 0.0000 0.0000 34494.1437 -149276.6655 301.2459 -183770.8093 -149183.6564 299.4966 129.9922 163.4366 555118.4044 4.2488 4.1108 PRESSURE: 2324000 114.114 -71.8802 246.983 -71.8811 -85.9482 -132.242 246.982 -132.241 -73.0249 GPRESSURE: 2324000 92.5638 -113.885 301.94 -14.6184 -56.2231 -167.255 194.02 -170.992 10.5028 PRESSAVG: 2324000 3.75705 29.631 33.6506 29.6311 -48.3513 6.37925 33.6508 6.37928 45.8022 GPRESSAVG: 2324000 4.06328 27.0484 32.9589 31.9269 -49.0269 7.67403 36.5835 5.02419 46.0842 TIMING: 2324000 CPU: 6735.46, 0.00289115/step Wall: 6735.46, 0.00289115/step, 2.14909 hours remaining, 208.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2324000 754.6812 2124.0694 1934.7169 106.7634 -206088.0460 17877.0001 0.0000 0.0000 34120.1989 -149170.6161 297.9802 -183290.8150 -149078.3615 299.8687 -14.9529 15.6145 556693.5682 0.4027 0.3735 PRESSURE: 2324200 113.464 93.0564 -97.1227 93.0555 133.002 62.4044 -97.1224 62.4042 328.777 GPRESSURE: 2324200 103.674 113.889 -57.4378 48.7628 212.829 74.4655 -107.11 22.2724 339.694 PRESSAVG: 2324200 25.8722 -10.4973 -32.5099 -10.4973 -6.78698 7.28537 -32.51 7.28554 14.0842 GPRESSAVG: 2324200 25.3022 -8.39372 -31.4261 -10.217 -6.3774 6.16089 -34.9802 7.99494 13.8832 TIMING: 2324200 CPU: 6736.03, 0.00286641/step Wall: 6736.03, 0.00286641/step, 2.13054 hours remaining, 208.718750 MB of memory in use. ENERGY: 2324200 698.2688 2104.1618 1907.3261 114.8846 -206235.7926 17928.4732 0.0000 0.0000 34255.9761 -149226.7020 299.1660 -183482.6781 -149129.0370 300.6252 191.7479 218.7323 556806.1459 11.0565 10.9360 LDB: ============= START OF LOAD BALANCING ============== 6739.42 LDB: ============== END OF LOAD BALANCING =============== 6739.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6739.42 LDB: ============= START OF LOAD BALANCING ============== 6739.71 LDB: Largest compute 4820 load 0.023093 is 19.6% of average load 0.117867 LDB: Average compute 0.001753 is 1.5% of average load 0.117867 LDB: TIME 6739.71 LOAD: AVG 0.117867 MAX 0.178155 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.719 MB LDB: TIME 6739.71 LOAD: AVG 0.117867 MAX 0.178155 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.961 MB LDB: TIME 6739.71 LOAD: AVG 0.117867 MAX 0.178155 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.961 MB LDB: ============== END OF LOAD BALANCING =============== 6739.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6739.72 PRESSURE: 2324400 -38.9412 -207.564 143.446 -207.564 26.2966 5.68413 143.447 5.68548 12.0507 GPRESSURE: 2324400 10.3764 -239.781 214.399 -109.11 54.2944 -16.6694 40.0256 3.32618 22.905 PRESSAVG: 2324400 7.09831 -32.0439 -27.9804 -32.0439 -20.6057 -13.912 -27.9804 -13.9119 1.28475 GPRESSAVG: 2324400 7.53005 -34.5012 -29.1085 -31.4507 -20.7679 -15.0109 -27.4032 -14.2712 1.44404 TIMING: 2324400 CPU: 6736.62, 0.0029588/step Wall: 6736.62, 0.0029588/step, 2.19905 hours remaining, 209.734375 MB of memory in use. ENERGY: 2324400 733.1775 2164.7033 1954.2670 109.0886 -205951.3973 17687.3437 0.0000 0.0000 34285.2416 -149017.5755 299.4215 -183302.8172 -148922.2578 299.9896 -0.1980 29.1919 556816.0557 -4.0742 -3.9313 PRESSURE: 2324600 -182.538 27.1285 6.77733 27.1276 -191.601 300.357 6.77571 300.358 60.472 GPRESSURE: 2324600 -132.654 14.3456 -39.4839 24.1989 -202.354 202.515 18.0293 315.353 113.276 PRESSAVG: 2324600 -70.993 14.7415 20.782 14.7416 -13.6914 72.2852 20.7821 72.2853 59.4758 GPRESSAVG: 2324600 -71.5777 15.832 22.1691 15.8714 -13.2046 71.5931 21.7807 72.8478 59.7062 TIMING: 2324600 CPU: 6737.2, 0.00288941/step Wall: 6737.2, 0.00288941/step, 2.14731 hours remaining, 209.839844 MB of memory in use. ENERGY: 2324600 763.4444 2143.4985 1945.7478 122.1082 -205927.1106 17506.7018 0.0000 0.0000 34474.2266 -148971.3833 301.0720 -183445.6099 -148876.3558 300.2215 -104.5556 -73.9104 557276.1354 -8.4029 -8.3587 PRESSURE: 2324800 17.3277 17.6777 -77.1763 17.6784 -0.0629478 1.59644 -77.1743 1.59728 171.833 GPRESSURE: 2324800 123.5 -26.7628 -70.9763 21.1204 -19.755 -5.8124 -48.5947 -26.2186 178.28 PRESSAVG: 2324800 -72.1098 -12.1792 -44.4963 -12.1793 -15.2911 41.8262 -44.4963 41.8262 77.0538 GPRESSAVG: 2324800 -71.8566 -10.9011 -45.2072 -13.7232 -15.0664 44.6264 -45.0784 41.1105 76.7153 TIMING: 2324800 CPU: 6737.78, 0.00288391/step Wall: 6737.78, 0.00288391/step, 2.14306 hours remaining, 209.839844 MB of memory in use. ENERGY: 2324800 766.0389 2129.5607 1911.1878 122.9925 -205783.6801 17631.4200 0.0000 0.0000 34217.2056 -149005.2746 298.8274 -183222.4802 -148910.8527 300.4905 63.0326 94.0083 556523.9091 -3.4490 -3.4025 PRESSURE: 2325000 -40.866 23.4633 127.476 23.4631 -16.1262 -225.322 127.476 -225.321 -37.4058 GPRESSURE: 2325000 66.1847 20.9848 150.326 -74.0907 -41.2826 -262.546 170.325 -165.078 -14.1702 PRESSAVG: 2325000 27.9481 -37.7691 3.36694 -37.769 -2.10243 -40.6477 3.36691 -40.6476 -24.4689 GPRESSAVG: 2325000 27.4218 -38.0129 3.08403 -39.2681 -2.63748 -41.9497 3.97381 -40.2221 -23.7052 TIMING: 2325000 CPU: 6738.36, 0.00289437/step Wall: 6738.36, 0.00289437/step, 2.15068 hours remaining, 209.839844 MB of memory in use. ENERGY: 2325000 761.5600 2160.6420 1945.2877 109.7236 -205750.0684 17575.0190 0.0000 0.0000 34292.9693 -148904.8667 299.4890 -183197.8360 -148809.1414 300.3873 -31.4660 3.5773 556354.7503 0.4589 0.3597 PRESSURE: 2325200 0.821053 -26.5153 -34.3267 -26.5155 144.746 47.0205 -34.3266 47.0214 259.91 GPRESSURE: 2325200 48.7228 29.9557 -68.0427 -76.5944 180.181 57.6803 40.0664 21.3184 292.724 PRESSAVG: 2325200 20.3885 -72.425 39.0607 -72.4249 33.7764 25.1231 39.0607 25.123 -17.8124 GPRESSAVG: 2325200 20.7319 -71.2031 37.8058 -71.5539 33.6765 26.159 38.1497 24.585 -18.1827 TIMING: 2325200 CPU: 6738.94, 0.00288768/step Wall: 6738.94, 0.00288768/step, 2.14555 hours remaining, 210.093750 MB of memory in use. ENERGY: 2325200 729.8932 2045.0046 1935.2785 109.3525 -206149.3200 17869.6757 0.0000 0.0000 34508.0471 -148952.0682 301.3674 -183460.1153 -148839.6215 301.1024 135.1588 173.8761 556258.2613 12.1175 12.0752 PRESSURE: 2325400 4.27269 -5.31305 140.637 -5.31298 63.0728 59.119 140.636 59.1194 20.3046 GPRESSURE: 2325400 84.4383 -98.936 178.808 23.7534 128.412 -22.5405 116.335 13.5877 -19.5123 PRESSAVG: 2325400 -14.5035 -40.4586 16.2113 -40.4585 52.1486 -20.1132 16.2112 -20.1132 -47.7864 GPRESSAVG: 2325400 -15.1529 -42.7791 15.3073 -39.636 52.9635 -19.988 18.4408 -20.7285 -47.5779 TIMING: 2325400 CPU: 6739.52, 0.00292654/step Wall: 6739.52, 0.00292654/step, 2.17426 hours remaining, 210.093750 MB of memory in use. ENERGY: 2325400 753.8774 2090.9545 1955.7289 118.3138 -205654.8434 17623.9416 0.0000 0.0000 34215.0757 -148896.9514 298.8088 -183112.0271 -148797.7743 300.2656 29.2167 64.4462 557053.1422 -3.3804 -3.2558 PRESSURE: 2325600 24.9237 -91.0816 223.651 -91.0826 -4.36854 74.1966 223.651 74.1962 -64.4167 GPRESSURE: 2325600 69.6328 -179.84 246.015 -3.46925 -19.485 139.131 300.195 14.0032 10.4112 PRESSAVG: 2325600 -35.4177 -40.6328 47.5634 -40.6329 -10.4891 13.274 47.5634 13.274 24.5693 GPRESSAVG: 2325600 -35.0151 -39.4472 49.7211 -41.4869 -11.1335 11.7542 46.1603 16.0013 24.8692 TIMING: 2325600 CPU: 6740.1, 0.00290893/step Wall: 6740.1, 0.00290894/step, 2.16102 hours remaining, 210.093750 MB of memory in use. ENERGY: 2325600 709.6151 2140.4578 1935.6162 116.4974 -205880.1941 17596.5445 0.0000 0.0000 34303.3777 -149078.0855 299.5799 -183381.4631 -148984.2544 300.0507 -14.6205 20.1863 557357.4277 -7.1125 -7.0931 PRESSURE: 2325800 -103.063 117.386 15.808 117.386 -129.069 -55.2658 15.8094 -55.264 -448.588 GPRESSURE: 2325800 -75.3227 84.3188 49.284 153.655 -90.4669 -39.071 -32.6077 -23.1858 -423.158 PRESSAVG: 2325800 -2.02642 -24.3104 73.1103 -24.3103 -13.666 11.8403 73.1103 11.8402 45.7646 GPRESSAVG: 2325800 -1.44218 -24.014 73.151 -23.5808 -13.6599 10.6689 72.7187 12.7933 46.1747 TIMING: 2325800 CPU: 6740.68, 0.00289853/step Wall: 6740.68, 0.00289853/step, 2.15312 hours remaining, 210.093750 MB of memory in use. ENERGY: 2325800 740.4725 2104.8783 1952.2073 127.7812 -205595.7630 17367.6098 0.0000 0.0000 34226.6317 -149076.1821 298.9097 -183302.8138 -148983.2821 300.1138 -226.9063 -196.3159 557082.0375 10.0240 10.3575 PRESSURE: 2326000 153.941 199.019 -12.2264 199.019 156.777 53.636 -12.2271 53.6377 28.4368 GPRESSURE: 2326000 189.655 123.805 -59.883 236.59 152.478 97.8973 -28.5946 66.1209 95.4354 PRESSAVG: 2326000 -24.2911 -17.3523 4.12873 -17.3524 18.8173 -22.0494 4.1288 -22.0493 23.7562 GPRESSAVG: 2326000 -25.0475 -18.4974 4.58887 -17.8733 18.3919 -20.686 3.75552 -24.8047 25.215 TIMING: 2326000 CPU: 6741.26, 0.00287812/step Wall: 6741.26, 0.00287812/step, 2.1378 hours remaining, 210.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2326000 756.7179 2077.3809 1966.1119 112.9755 -206303.6308 17966.1132 0.0000 0.0000 34396.3329 -149027.9985 300.3917 -183424.3314 -148939.1296 299.6583 113.0518 145.8560 555896.4953 6.0941 6.1865 PRESSURE: 2326200 172.035 93.8458 103.631 93.847 108.899 -79.1203 103.632 -79.1223 173.833 GPRESSURE: 2326200 198.22 82.3273 -9.46698 43.9813 138.425 -94.5393 161.731 -62.7019 237.752 PRESSAVG: 2326200 -3.19132 -8.63921 28.277 -8.63928 39.3504 25.822 28.2769 25.822 14.089 GPRESSAVG: 2326200 -2.96286 -7.51231 27.4046 -7.40786 40.3002 26.1574 28.1169 24.5707 13.3414 TIMING: 2326200 CPU: 6741.84, 0.00288774/step Wall: 6741.84, 0.00288774/step, 2.14479 hours remaining, 210.093750 MB of memory in use. ENERGY: 2326200 728.5076 2147.7652 1945.7721 110.7472 -206311.3050 18064.9566 0.0000 0.0000 34327.5621 -148985.9941 299.7911 -183313.5562 -148892.4921 299.9566 151.5890 191.4655 556659.5305 16.7494 16.8929 PRESSURE: 2326400 -266.084 26.5718 52.6877 26.5734 -229.537 -60.6343 52.6884 -60.6339 -17.9573 GPRESSURE: 2326400 -188.554 43.5406 107.069 -49.9856 -181.128 -70.2866 22.6062 -43.0073 -45.0556 PRESSAVG: 2326400 -5.70216 57.0722 22.5312 57.0722 -39.0538 3.07791 22.5312 3.07789 31.408 GPRESSAVG: 2326400 -4.83641 57.3614 23.57 57.3444 -39.2853 2.71902 23.279 5.5879 31.0114 TIMING: 2326400 CPU: 6742.41, 0.00289095/step Wall: 6742.41, 0.00289095/step, 2.14701 hours remaining, 210.093750 MB of memory in use. ENERGY: 2326400 765.6622 2063.3734 1984.8858 106.7830 -205786.6429 17456.5710 0.0000 0.0000 34243.4240 -149165.9436 299.0563 -183409.3676 -149073.0258 299.9995 -171.1929 -138.2461 557890.3511 -4.4493 -4.3701 PRESSURE: 2326600 189.262 -58.2572 -17.0061 -58.2562 -109.805 75.0827 -17.0069 75.0836 -40.4105 GPRESSURE: 2326600 237.523 13.7949 -107.056 -56.0368 -151.899 79.4206 33.9757 62.6849 44.4658 PRESSAVG: 2326600 54.9528 4.85048 -10.7439 4.85052 -49.6413 11.1072 -10.7439 11.1072 -52.8254 GPRESSAVG: 2326600 54.612 3.30723 -13.2549 3.48138 -49.5636 11.1249 -8.12678 9.29175 -53.0399 TIMING: 2326600 CPU: 6742.99, 0.00288906/step Wall: 6742.99, 0.00288906/step, 2.14545 hours remaining, 210.093750 MB of memory in use. ENERGY: 2326600 744.8257 2123.5774 1935.2448 127.8902 -206588.3532 17946.9017 0.0000 0.0000 34415.3178 -149294.5956 300.5575 -183709.9133 -149195.6468 299.8626 13.0155 43.3631 557404.3697 -15.8380 -15.9971 PRESSURE: 2326800 -524.525 -100.976 -82.9895 -100.977 -285.329 170.773 -82.9906 170.773 -91.7138 GPRESSURE: 2326800 -490.412 -140.986 -46.1557 -50.4472 -290.658 227.22 -55.3274 73.5477 -42.2376 PRESSAVG: 2326800 53.7261 36.0043 -62.6695 36.0043 -49.5682 42.5308 -62.6695 42.5308 14.8316 GPRESSAVG: 2326800 54.0087 36.5979 -61.8496 37.0296 -48.92 41.67 -62.7908 42.2737 14.4333 TIMING: 2326800 CPU: 6743.57, 0.0028874/step Wall: 6743.57, 0.0028874/step, 2.14405 hours remaining, 210.093750 MB of memory in use. ENERGY: 2326800 735.1214 2091.7814 1958.8315 105.0715 -205539.8313 17439.2538 0.0000 0.0000 33879.9084 -149329.8632 295.8817 -183209.7717 -149240.9643 298.8011 -300.5224 -274.4359 558802.6438 6.3298 6.5073 PRESSURE: 2327000 -10.3953 209.463 63.0879 209.463 22.3828 -19.0835 63.0878 -19.0837 -43.9597 GPRESSURE: 2327000 9.88842 122.179 79.3913 181.462 82.5357 30.023 137.321 -4.46327 -24.2579 PRESSAVG: 2327000 -67.8639 43.5725 -0.268001 43.5725 77.9161 56.6241 -0.268016 56.6241 5.75331 GPRESSAVG: 2327000 -68.7065 42.8449 0.48322 43.8347 77.0672 56.8299 -2.29126 58.3754 8.15614 TIMING: 2327000 CPU: 6744.15, 0.00289064/step Wall: 6744.15, 0.00289064/step, 2.1463 hours remaining, 210.093750 MB of memory in use. ENERGY: 2327000 732.3900 2108.9225 1951.4018 97.6100 -205960.0616 17659.9978 0.0000 0.0000 34044.6296 -149365.1099 297.3202 -183409.7395 -149276.5830 298.5675 -10.6574 22.7221 557746.6874 5.2685 5.5056 PRESSURE: 2327200 -342.182 69.128 -274.372 69.1274 -287.665 36.4609 -274.372 36.4611 -156.37 GPRESSURE: 2327200 -298.575 67.2489 -279.194 33.9688 -240.141 39.3076 -275.18 15.9537 -156.015 PRESSAVG: 2327200 -12.7627 -48.7445 21.6982 -48.7445 -3.66754 -4.13753 21.6982 -4.13752 19.4442 GPRESSAVG: 2327200 -11.4641 -48.358 21.6899 -49.5999 -3.6906 -3.38349 21.3098 -6.13531 18.3137 TIMING: 2327200 CPU: 6744.72, 0.00287769/step Wall: 6744.72, 0.00287769/step, 2.13653 hours remaining, 210.093750 MB of memory in use. ENERGY: 2327200 733.5756 2163.3891 1940.4546 118.0286 -205587.8360 17136.9638 0.0000 0.0000 34317.4921 -149177.9322 299.7032 -183495.4243 -149072.4229 298.8544 -262.0724 -231.5769 557976.6525 1.0046 1.0530 PRESSURE: 2327400 283.525 222.913 -35.8134 222.912 206.559 -156.487 -35.8128 -156.488 63.6668 GPRESSURE: 2327400 280.116 154.861 37.443 218.068 293.968 -107.437 -9.82876 -173.656 67.6287 PRESSAVG: 2327400 -39.8377 42.8663 -39.5382 42.8663 28.1902 -9.10352 -39.5383 -9.10355 12.1777 GPRESSAVG: 2327400 -40.6163 40.9405 -37.6794 44.5157 28.6183 -7.9785 -40.7102 -8.50727 12.3073 TIMING: 2327400 CPU: 6745.3, 0.00289337/step Wall: 6745.3, 0.00289337/step, 2.14801 hours remaining, 210.093750 MB of memory in use. ENERGY: 2327400 731.5925 2105.2969 1958.8792 129.3089 -206747.0406 18295.2653 0.0000 0.0000 34398.9333 -149127.7645 300.4144 -183526.6978 -149031.7644 299.1036 184.5836 213.9043 557388.2973 0.1767 0.1031 PRESSURE: 2327600 301.576 -171.794 -117.998 -171.795 21.9774 -38.1366 -117.996 -38.1375 -303.453 GPRESSURE: 2327600 318.416 -53.1336 -115.036 -137.006 11.5507 -15.5397 -119.844 20.8995 -230.291 PRESSAVG: 2327600 14.4813 -34.761 -19.5469 -34.7609 -17.2316 -62.8325 -19.5468 -62.8325 13.6188 GPRESSAVG: 2327600 15.2882 -30.962 -21.4976 -35.9213 -17.3068 -63.8775 -18.9256 -61.5152 12.8431 TIMING: 2327600 CPU: 6745.88, 0.0028937/step Wall: 6745.88, 0.0028937/step, 2.14809 hours remaining, 210.093750 MB of memory in use. ENERGY: 2327600 721.2496 2061.8043 1931.0895 106.2664 -205973.3285 17728.0210 0.0000 0.0000 34045.8590 -149379.0387 297.3310 -183424.8977 -149279.6684 298.7514 6.7001 33.2254 555765.6556 3.6228 3.6082 PRESSURE: 2327800 294.247 -81.2098 153.882 -81.2102 158.323 139.865 153.882 139.866 301.951 GPRESSURE: 2327800 335.207 -114.255 188.414 -48.8192 227.203 110.921 107.794 114.914 292.177 PRESSAVG: 2327800 46.0784 -54.046 4.39781 -54.0461 -5.96817 13.9423 4.39773 13.9424 -41.5739 GPRESSAVG: 2327800 45.026 -56.1367 3.7584 -54.1078 -5.8873 15.3454 2.71054 12.6041 -41.0525 TIMING: 2327800 CPU: 6746.46, 0.00290325/step Wall: 6746.46, 0.00290325/step, 2.15502 hours remaining, 210.093750 MB of memory in use. ENERGY: 2327800 741.0907 2158.0811 1948.3401 107.5638 -206481.1568 17925.5002 0.0000 0.0000 34224.6661 -149375.9148 298.8925 -183600.5809 -149282.2416 298.7196 251.5069 284.8623 552933.1496 -0.4879 -0.6379 PRESSURE: 2328000 77.4287 207.455 -66.9621 207.454 34.4684 116.885 -66.9634 116.883 -63.9412 GPRESSURE: 2328000 107.276 254.52 2.82946 219.769 93.2383 158.313 -129.021 71.8615 -33.7753 PRESSAVG: 2328000 135.499 32.6292 45.2039 32.6292 -60.6964 53.1192 45.204 53.1193 -28.3851 GPRESSAVG: 2328000 136.667 33.4789 46.5552 33.0384 -61.6417 50.4316 46.4912 54.8037 -28.8556 TIMING: 2328000 CPU: 6747.04, 0.00290169/step Wall: 6747.04, 0.00290169/step, 2.1537 hours remaining, 210.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2328000 718.2909 2093.3194 1934.4060 103.5442 -206016.7839 17707.5349 0.0000 0.0000 34082.9405 -149376.7481 297.6548 -183459.6886 -149275.5227 299.4362 15.9853 55.5798 556229.1578 15.4724 15.3900 PRESSURE: 2328200 323.728 248.674 -7.11209 248.675 190.66 -26.2968 -7.11316 -26.2965 -101.758 GPRESSURE: 2328200 334.744 249.582 -45.7712 182.726 220.037 -38.1193 57.3842 -32.952 -50.3163 PRESSAVG: 2328200 34.1521 36.3607 52.2384 36.3607 -65.6308 28.0684 52.2383 28.0684 -26.5144 GPRESSAVG: 2328200 34.3311 35.3319 51.4586 37.0539 -66.321 30.3402 52.6003 23.8856 -26.2658 TIMING: 2328200 CPU: 6747.62, 0.0029025/step Wall: 6747.62, 0.0029025/step, 2.15414 hours remaining, 210.093750 MB of memory in use. ENERGY: 2328200 726.4554 2079.2735 1946.3814 109.0753 -206448.1104 18044.7220 0.0000 0.0000 34247.0267 -149295.1761 299.0878 -183542.2028 -149198.3467 299.0271 137.5436 168.1549 556692.1592 -19.3311 -19.4186 LDB: ============= START OF LOAD BALANCING ============== 6751.01 LDB: ============== END OF LOAD BALANCING =============== 6751.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6751.01 LDB: ============= START OF LOAD BALANCING ============== 6751.3 LDB: Largest compute 4820 load 0.026236 is 22.3% of average load 0.117852 LDB: Average compute 0.001754 is 1.5% of average load 0.117852 LDB: TIME 6751.3 LOAD: AVG 0.117852 MAX 0.178113 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.625 MB LDB: TIME 6751.3 LOAD: AVG 0.117852 MAX 0.178113 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.625 MB LDB: TIME 6751.3 LOAD: AVG 0.117852 MAX 0.178113 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.625 MB LDB: ============== END OF LOAD BALANCING =============== 6751.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6751.31 PRESSURE: 2328400 -82.0392 103.89 -10.4886 103.89 -175.087 115.187 -10.4885 115.186 -17.5306 GPRESSURE: 2328400 3.57098 2.6626 -47.6595 169.021 -168.239 112.17 50.0392 46.6813 -12.9644 PRESSAVG: 2328400 29.7385 8.50272 44.7817 8.50273 13.3541 26.0986 44.7816 26.0987 11.447 GPRESSAVG: 2328400 29.8165 11.2703 44.6635 7.32214 12.8968 25.319 43.7401 28.0369 11.874 TIMING: 2328400 CPU: 6748.21, 0.00296248/step Wall: 6748.21, 0.00296248/step, 2.19849 hours remaining, 208.402344 MB of memory in use. ENERGY: 2328400 766.1732 2086.9449 1963.0381 123.6491 -206055.5281 17520.5667 0.0000 0.0000 34124.2550 -149470.9011 298.0156 -183595.1560 -149373.0766 299.0572 -91.5522 -59.2108 557572.0094 18.1799 18.1958 PRESSURE: 2328600 137.131 27.7749 66.3199 27.7743 376.617 -62.0609 66.3227 -62.0614 -135.183 GPRESSURE: 2328600 177.928 42.7514 40.4055 -12.5047 376.845 -60.8352 33.5064 -77.3703 -67.6545 PRESSAVG: 2328600 -40.4694 14.2759 72.63 14.2759 28.1173 17.6184 72.63 17.6185 41.5432 GPRESSAVG: 2328600 -41.6662 11.7121 72.6122 14.7957 28.9387 16.4141 72.9697 18.1513 42.118 TIMING: 2328600 CPU: 6748.79, 0.00290213/step Wall: 6748.79, 0.00290213/step, 2.15354 hours remaining, 208.402344 MB of memory in use. ENERGY: 2328600 720.3403 2120.9936 1974.5506 123.2419 -206761.2002 17997.7171 0.0000 0.0000 34528.4986 -149295.8583 301.5460 -183824.3568 -149205.8430 299.6585 126.1882 162.3729 556291.3742 9.7303 9.7968 PRESSURE: 2328800 -196.871 92.4875 28.0726 92.4895 -95.6717 -179.971 28.0732 -179.97 -184.206 GPRESSURE: 2328800 -183.497 59.4868 102.261 63.7171 -44.1257 -103.531 -14.9491 -150.943 -144.433 PRESSAVG: 2328800 -21.5777 17.5833 52.821 17.5832 77.9306 -0.986684 52.821 -0.986724 -34.1087 GPRESSAVG: 2328800 -21.8699 19.1575 54.0279 16.5436 79.8444 -0.894485 52.3316 0.630615 -35.4978 TIMING: 2328800 CPU: 6749.37, 0.00289356/step Wall: 6749.37, 0.00289356/step, 2.14702 hours remaining, 208.402344 MB of memory in use. ENERGY: 2328800 734.7902 2102.8907 1935.6952 120.4533 -205898.5339 17648.9168 0.0000 0.0000 34145.1372 -149210.6505 298.1980 -183355.7876 -149114.3791 299.7521 -158.9160 -124.0186 558349.5819 7.4147 7.4922 PRESSURE: 2329000 297.596 -25.2506 70.6688 -25.2513 -12.2912 44.5509 70.669 44.5503 191.797 GPRESSURE: 2329000 342.26 -30.5666 60.6599 85.9321 13.2944 73.3835 74.2202 0.870475 222.071 PRESSAVG: 2329000 -30.7823 -44.6581 86.0315 -44.6582 20.9143 -33.2499 86.0314 -33.2499 0.926113 GPRESSAVG: 2329000 -29.8158 -44.9002 84.4191 -43.7599 19.5179 -33.6125 88.979 -36.1481 1.15766 TIMING: 2329000 CPU: 6749.95, 0.00288534/step Wall: 6749.95, 0.00288534/step, 2.14076 hours remaining, 208.402344 MB of memory in use. ENERGY: 2329000 734.1790 2165.2366 1917.5112 103.5570 -206386.8063 17926.7147 0.0000 0.0000 34201.1934 -149338.4145 298.6875 -183539.6079 -149249.2799 298.8512 159.0337 192.5417 558131.2648 -2.9806 -3.0467 PRESSURE: 2329200 26.2027 186.406 111.593 186.407 68.7157 -86.0592 111.594 -86.0592 -190.106 GPRESSURE: 2329200 77.2851 245.102 122.585 135.589 31.8177 -107.773 52.6861 -84.0175 -104.31 PRESSAVG: 2329200 -21.3997 -25.6062 -15.1077 -25.6061 12.6705 -65.8604 -15.1076 -65.8605 57.5768 GPRESSAVG: 2329200 -21.6979 -25.8686 -15.3125 -24.4104 12.4359 -65.7965 -18.8972 -64.9996 57.7931 TIMING: 2329200 CPU: 6750.53, 0.00291564/step Wall: 6750.53, 0.00291564/step, 2.16308 hours remaining, 208.402344 MB of memory in use. ENERGY: 2329200 756.0720 2086.6810 1976.6031 125.3305 -206258.9389 17737.3257 0.0000 0.0000 34375.8674 -149201.0592 300.2130 -183576.9266 -149093.8034 299.5084 -31.7291 1.5975 557147.2716 16.2825 16.1770 PRESSURE: 2329400 3.67301 7.96053 21.7912 7.9595 -80.2838 -170.355 21.7905 -170.355 314.461 GPRESSURE: 2329400 100.001 -54.6404 28.4899 15.4647 -105.497 -216.626 73.8496 -175.096 335.368 PRESSAVG: 2329400 -47.4279 -16.2427 21.4456 -16.2426 11.9961 -71.4015 21.4456 -71.4014 19.4733 GPRESSAVG: 2329400 -47.7626 -18.6066 22.6257 -17.742 11.252 -72.6862 23.481 -72.4879 21.1738 TIMING: 2329400 CPU: 6751.11, 0.00289896/step Wall: 6751.11, 0.00289896/step, 2.15055 hours remaining, 208.402344 MB of memory in use. ENERGY: 2329400 742.1117 2089.2303 1943.7281 118.8245 -206525.7270 17946.8429 0.0000 0.0000 34298.6397 -149386.3497 299.5386 -183684.9895 -149297.1350 299.5703 79.2835 109.9572 556303.5330 -5.3195 -5.1123 PRESSURE: 2329600 -206.181 67.9717 -157.078 67.9715 22.0172 49.2812 -157.079 49.2818 33.28 GPRESSURE: 2329600 -129.227 26.0919 -84.4379 154.282 8.34122 93.8878 -236.337 115.075 67.9745 PRESSAVG: 2329600 17.5561 -31.5332 -46.8898 -31.5332 -44.2193 -15.9325 -46.89 -15.9325 12.8643 GPRESSAVG: 2329600 18.0154 -28.9144 -46.7309 -31.193 -43.5789 -16.6887 -47.9713 -12.3585 11.2942 TIMING: 2329600 CPU: 6751.69, 0.00290769/step Wall: 6751.69, 0.00290769/step, 2.15686 hours remaining, 208.402344 MB of memory in use. ENERGY: 2329600 732.3440 2069.1609 1963.7400 113.9557 -206191.1963 17680.5427 0.0000 0.0000 34208.2950 -149423.1581 298.7495 -183631.4531 -149329.1055 298.8873 -50.2946 -17.6371 556866.1328 -4.5996 -4.7564 PRESSURE: 2329800 -116.454 80.7904 -168.643 80.7888 133.374 -33.534 -168.644 -33.5342 275.997 GPRESSURE: 2329800 -76.7934 181.57 -263.539 -28.0585 186.377 -32.7458 -149.381 11.3268 303.094 PRESSAVG: 2329800 -62.7683 29.4363 25.0733 29.4362 20.3121 -22.5682 25.0732 -22.5683 13.0328 GPRESSAVG: 2329800 -63.4346 30.4665 23.7483 27.3235 19.5564 -20.7426 26.8039 -26.1586 14.4212 TIMING: 2329800 CPU: 6752.27, 0.00287603/step Wall: 6752.27, 0.00287603/step, 2.13321 hours remaining, 208.402344 MB of memory in use. ENERGY: 2329800 736.9147 2136.0429 1942.8902 90.8588 -206586.6709 17876.5164 0.0000 0.0000 34196.7239 -149606.7240 298.6485 -183803.4479 -149509.5458 299.3974 97.6389 137.5592 555324.5750 -9.8078 -9.8190 PRESSURE: 2330000 98.5752 -155.995 112.413 -155.995 66.6483 -56.239 112.414 -56.2385 398.264 GPRESSURE: 2330000 173.734 -183.909 89.076 -132.505 61.887 -145.958 112.767 -55.5079 428.4 PRESSAVG: 2330000 -4.84053 -55.3774 -80.074 -55.3774 -4.27773 -53.0954 -80.0741 -53.0952 7.05 GPRESSAVG: 2330000 -4.36447 -58.1889 -79.6287 -50.2794 -3.51181 -54.5089 -82.054 -49.9556 5.5605 TIMING: 2330000 CPU: 6752.85, 0.00290161/step Wall: 6752.85, 0.00290161/step, 2.15203 hours remaining, 208.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2330000 723.9206 2117.3621 1935.1822 113.8608 -206907.5584 18259.0680 0.0000 0.0000 34129.4006 -149628.7640 298.0605 -183758.1647 -149540.9003 298.5824 187.8291 221.3401 557110.3292 -0.6894 -0.7719 PRESSURE: 2330200 -85.3651 30.2804 228.136 30.2803 238.528 -21.6616 228.136 -21.6617 -226.512 GPRESSURE: 2330200 -27.2124 115.108 135.301 41.5526 239.417 -45.0366 205.561 -24.6184 -201.818 PRESSAVG: 2330200 4.44345 2.26135 13.0986 2.26127 -39.6376 32.6881 13.0986 32.688 17.203 GPRESSAVG: 2330200 3.12836 2.72621 12.5942 -0.652337 -38.5096 32.0552 14.4943 31.5774 17.3056 TIMING: 2330200 CPU: 6753.43, 0.0028796/step Wall: 6753.43, 0.0028796/step, 2.13555 hours remaining, 208.402344 MB of memory in use. ENERGY: 2330200 688.2022 2090.7347 1942.5626 118.1153 -206140.1279 17791.1905 0.0000 0.0000 33981.8102 -149527.5125 296.7716 -183509.3227 -149424.2770 298.1190 -24.4497 3.4622 558727.5383 -5.9970 -6.0252 PRESSURE: 2330400 -407.651 7.88211 -33.8687 7.88234 -109.763 -72.4117 -33.8683 -72.412 -250.015 GPRESSURE: 2330400 -378.053 28.6999 -106.925 -9.208 -96.8927 -54.1401 -31.7436 -9.20605 -205.961 PRESSAVG: 2330400 -3.53543 9.81738 47.9569 9.81734 -33.3547 -27.7489 47.9568 -27.7488 52.3756 GPRESSAVG: 2330400 -3.06572 9.28824 48.2786 10.6625 -35.5038 -26.6745 47.5149 -27.4886 53.8045 TIMING: 2330400 CPU: 6754, 0.0028929/step Wall: 6754, 0.0028929/step, 2.14525 hours remaining, 208.402344 MB of memory in use. ENERGY: 2330400 736.6630 2103.6082 1970.3304 115.4554 -206139.6261 17337.3975 0.0000 0.0000 34257.7457 -149618.4258 299.1814 -183876.1715 -149516.4741 298.1106 -255.8098 -226.9691 557755.0878 5.1618 5.0783 PRESSURE: 2330600 21.4931 55.3846 89.5354 55.3855 -112.924 -41.3115 89.5341 -41.3109 -47.6952 GPRESSURE: 2330600 95.604 56.7365 207.829 56.2549 -89.8511 -42.6679 69.1458 -72.8801 -53.2455 PRESSAVG: 2330600 38.5438 14.2057 -11.4253 14.2057 -38.8277 34.3466 -11.4253 34.3466 -23.4315 GPRESSAVG: 2330600 38.5575 14.1094 -10.3172 15.1212 -37.7326 35.9512 -12.0009 32.8043 -24.2748 TIMING: 2330600 CPU: 6754.58, 0.00287858/step Wall: 6754.58, 0.00287858/step, 2.13447 hours remaining, 208.402344 MB of memory in use. ENERGY: 2330600 756.0686 2040.0749 1962.7323 117.2878 -206446.4942 17748.6371 0.0000 0.0000 34195.5685 -149626.1249 298.6384 -183821.6934 -149533.0275 298.2222 -46.3753 -15.8309 557178.4684 -7.9051 -7.8166 PRESSURE: 2330800 34.3149 73.0205 2.50759 73.0201 112.856 258.597 2.50776 258.598 -90.6396 GPRESSURE: 2330800 26.2792 5.31855 43.8533 110.533 153.272 59.6739 1.01965 253.269 -38.451 PRESSAVG: 2330800 -8.28621 14.3192 7.00681 14.3192 -2.83115 45.8871 7.00688 45.887 -20.2456 GPRESSAVG: 2330800 -7.80453 16.9202 8.29432 12.5959 -4.1255 43.4345 6.89341 47.7911 -19.9606 TIMING: 2330800 CPU: 6755.16, 0.00290783/step Wall: 6755.16, 0.00290783/step, 2.15599 hours remaining, 208.402344 MB of memory in use. ENERGY: 2330800 758.3868 2061.6965 1941.1349 122.0109 -206602.9630 17999.3933 0.0000 0.0000 34182.9514 -149537.3893 298.5282 -183720.3407 -149444.3425 298.6613 18.8436 47.0334 556649.7634 -10.4543 -10.6302 PRESSURE: 2331000 -266.121 88.0221 -10.6866 88.0225 179.352 -116.457 -10.6873 -116.456 -205.298 GPRESSURE: 2331000 -238.991 117.946 -63.7377 88.4825 199.24 -183.693 1.39301 -64.3293 -153.952 PRESSAVG: 2331000 1.72946 26.891 -42.1485 26.8909 105.596 21.7867 -42.1484 21.7866 -85.0947 GPRESSAVG: 2331000 2.24604 24.5982 -45.6046 27.619 105.155 22.8028 -38.8302 21.896 -85.1897 TIMING: 2331000 CPU: 6755.74, 0.002881/step Wall: 6755.74, 0.002881/step, 2.13594 hours remaining, 208.402344 MB of memory in use. ENERGY: 2331000 748.0515 2073.1694 1947.4479 116.5495 -206107.5939 17634.3748 0.0000 0.0000 34254.9298 -149333.0710 299.1568 -183588.0008 -149243.8764 298.7472 -97.3555 -64.5677 557687.6800 7.4104 7.4038 PRESSURE: 2331200 -457.164 -18.7414 -9.65621 -18.7424 -466.133 75.4504 -9.65727 75.4498 -96.1073 GPRESSURE: 2331200 -456.603 -15.9254 -41.7072 -2.78809 -380.219 103.488 116.632 99.0817 -75.2502 PRESSAVG: 2331200 -25.4071 -52.831 9.36047 -52.831 23.7355 -9.87429 9.36048 -9.87426 38.0952 GPRESSAVG: 2331200 -26.7653 -52.5851 10.3253 -52.9507 24.795 -10.6722 7.04263 -10.9669 38.5405 TIMING: 2331200 CPU: 6756.32, 0.00288833/step Wall: 6756.32, 0.00288833/step, 2.14122 hours remaining, 208.402344 MB of memory in use. ENERGY: 2331200 757.6397 2125.0622 1950.8011 98.9698 -205947.5189 17422.8691 0.0000 0.0000 34264.8739 -149327.3031 299.2437 -183592.1771 -149233.7205 299.0209 -339.8014 -304.0239 557621.9276 12.1412 12.1901 PRESSURE: 2331400 344.142 107.119 131.141 107.118 211.959 17.8785 131.141 17.8792 51.2054 GPRESSURE: 2331400 375.476 73.4312 161.783 122.539 269.444 -45.394 120.036 2.46005 56.531 PRESSAVG: 2331400 45.3442 -1.02025 26.8026 -1.02016 -6.29899 -6.80318 26.8027 -6.80315 -55.8434 GPRESSAVG: 2331400 46.2173 0.114477 26.9229 -0.753127 -7.13834 -5.88211 26.8236 -8.10239 -56.0968 TIMING: 2331400 CPU: 6756.89, 0.00288771/step Wall: 6756.89, 0.00288771/step, 2.1406 hours remaining, 208.402344 MB of memory in use. ENERGY: 2331400 700.8268 2126.1341 1972.8485 110.2044 -206867.4109 18173.4537 0.0000 0.0000 34520.4996 -149263.4438 301.4761 -183783.9434 -149169.0464 298.9892 202.4355 233.8173 556187.4025 -5.5994 -5.6726 PRESSURE: 2331600 48.5774 55.0163 -121.902 55.0164 91.6398 -181.32 -121.902 -181.322 369.836 GPRESSURE: 2331600 168.716 33.9977 -79.6765 57.1776 90.9854 -159.023 -159.363 -218.516 345.483 PRESSAVG: 2331600 -13.2517 15.2799 -27.2379 15.2799 -8.16668 -25.1006 -27.2379 -25.1006 6.61151 GPRESSAVG: 2331600 -12.2694 16.1946 -25.4348 14.3758 -7.61597 -22.2774 -28.9411 -25.0987 5.51896 TIMING: 2331600 CPU: 6757.47, 0.00288796/step Wall: 6757.47, 0.00288796/step, 2.14062 hours remaining, 208.402344 MB of memory in use. ENERGY: 2331600 755.3066 1993.3901 1951.5483 111.4686 -206079.9455 17775.6954 0.0000 0.0000 34375.9702 -149116.5664 300.2139 -183492.5365 -149025.3162 300.2902 170.0179 201.7282 556421.7598 -4.9356 -4.7888 PRESSURE: 2331800 -297.666 57.4282 15.7887 57.4288 35.6959 94.765 15.7887 94.7643 -252.872 GPRESSURE: 2331800 -218.007 -37.0724 143.823 39.2612 14.1082 5.38505 -62.8703 120.384 -207.504 PRESSAVG: 2331800 62.1898 15.1811 -3.88868 15.1812 5.34507 14.2033 -3.88867 14.2032 -33.8042 GPRESSAVG: 2331800 62.1664 12.8992 -4.53965 14.5193 4.97763 13.1174 -4.21657 14.719 -33.6407 TIMING: 2331800 CPU: 6758.05, 0.0028897/step Wall: 6758.05, 0.0028897/step, 2.14175 hours remaining, 208.402344 MB of memory in use. ENERGY: 2331800 766.5253 2062.7671 1953.6150 102.9006 -205965.2067 17467.5131 0.0000 0.0000 34285.5563 -149326.3293 299.4243 -183611.8856 -149230.7843 298.7883 -171.6143 -137.1344 556942.3953 11.2436 11.1678 PRESSURE: 2332000 -110.343 93.6468 91.6542 93.6458 -224.511 70.5318 91.6544 70.532 -286.376 GPRESSURE: 2332000 -99.8697 18.4214 79.969 123.529 -163.128 135.97 83.8996 34.2673 -255.502 PRESSAVG: 2332000 30.3247 -0.808437 17.8114 -0.808435 9.18933 26.6831 17.8114 26.6832 -21.7877 GPRESSAVG: 2332000 29.5466 -0.887564 14.644 1.52416 10.1649 25.3598 20.3041 24.8925 -21.6259 TIMING: 2332000 CPU: 6758.63, 0.00289818/step Wall: 6758.63, 0.00289818/step, 2.14788 hours remaining, 208.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2332000 761.4084 2103.9462 1964.2270 110.8156 -206147.6049 17629.8999 0.0000 0.0000 34381.7444 -149195.5634 300.2643 -183577.3078 -149105.7345 299.0164 -207.0764 -172.8333 558082.6666 5.9088 6.0286 PRESSURE: 2332200 22.1877 -109.522 0.88052 -109.523 -51.155 39.603 0.880426 39.6026 148.387 GPRESSURE: 2332200 43.0578 16.5373 61.9832 -182.879 6.29923 -67.2397 -30.3101 23.3837 182.062 PRESSAVG: 2332200 10.6425 5.01499 10.4668 5.0149 13.0475 -30.4333 10.4669 -30.4332 -4.40306 GPRESSAVG: 2332200 10.021 4.89186 13.63 3.11286 14.055 -31.8078 8.31347 -27.9917 -4.7368 TIMING: 2332200 CPU: 6759.21, 0.00290889/step Wall: 6759.21, 0.00290889/step, 2.15565 hours remaining, 208.402344 MB of memory in use. ENERGY: 2332200 729.2558 2113.3723 1942.9181 105.8679 -206369.7110 17921.6743 0.0000 0.0000 34236.5370 -149320.0856 298.9962 -183556.6226 -149222.6847 298.8237 39.8065 77.1396 557434.2563 6.4290 6.4464 LDB: ============= START OF LOAD BALANCING ============== 6762.59 LDB: ============== END OF LOAD BALANCING =============== 6762.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6762.6 LDB: ============= START OF LOAD BALANCING ============== 6762.89 LDB: Largest compute 4820 load 0.025685 is 21.8% of average load 0.117743 LDB: Average compute 0.001758 is 1.5% of average load 0.117743 LDB: TIME 6762.89 LOAD: AVG 0.117743 MAX 0.179913 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.941 MB LDB: TIME 6762.89 LOAD: AVG 0.117743 MAX 0.179913 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.012 MB LDB: TIME 6762.89 LOAD: AVG 0.117743 MAX 0.179913 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6762.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6762.9 PRESSURE: 2332400 -106.423 -28.5585 -75.0533 -28.5584 217.009 111.167 -75.0523 111.167 87.3605 GPRESSURE: 2332400 -39.38 -47.4038 -33.4607 -37.6706 230.773 134.396 -106.153 24.1324 124.391 PRESSAVG: 2332400 26.6091 -34.7629 -8.03861 -34.7629 -40.329 26.6026 -8.03856 26.6026 62.5382 GPRESSAVG: 2332400 27.6115 -33.4754 -8.77443 -34.9331 -41.1166 27.9093 -7.67165 24.8127 62.4989 TIMING: 2332400 CPU: 6759.8, 0.00294497/step Wall: 6759.8, 0.00294497/step, 2.18222 hours remaining, 209.992188 MB of memory in use. ENERGY: 2332400 723.6018 2081.8736 1945.5776 112.0021 -206288.7140 17965.1786 0.0000 0.0000 34038.4530 -149422.0273 297.2663 -183460.4803 -149331.4772 298.5721 65.9821 105.2614 556792.0210 16.2728 16.3313 PRESSURE: 2332600 -10.4478 37.3389 -54.979 37.3385 132.257 14.9415 -54.9773 14.9428 -13.5249 GPRESSURE: 2332600 2.37124 0.33873 -79.3319 37.4662 124.171 95.0463 81.0477 0.296389 72.2283 PRESSAVG: 2332600 24.0076 44.6528 38.0035 44.6529 47.6242 -12.3092 38.0035 -12.3091 -32.73 GPRESSAVG: 2332600 23.7263 46.7459 37.0858 42.8035 47.4908 -11.6001 37.9208 -13.3255 -32.2839 TIMING: 2332600 CPU: 6760.38, 0.00289499/step Wall: 6760.38, 0.00289499/step, 2.14503 hours remaining, 210.250000 MB of memory in use. ENERGY: 2332600 723.1189 2100.1144 1966.3500 120.3772 -206323.9105 17783.4748 0.0000 0.0000 34242.6495 -149387.8256 299.0496 -183630.4752 -149285.2311 299.1337 36.0946 66.2569 557018.2238 12.9673 12.9777 PRESSURE: 2332800 -65.5135 183.518 -43.3819 183.517 -262.864 -297.03 -43.3813 -297.031 53.3018 GPRESSURE: 2332800 -15.3886 241.6 39.3284 136.918 -240.558 -298.189 -156.672 -244.854 77.5251 PRESSAVG: 2332800 5.31819 0.774353 87.8597 0.774411 9.44986 -62.2256 87.8597 -62.2255 32.2154 GPRESSAVG: 2332800 4.38579 -4.16102 89.1254 3.94722 10.0484 -62.1964 87.9745 -61.1852 32.4274 TIMING: 2332800 CPU: 6760.96, 0.00289629/step Wall: 6760.96, 0.00289629/step, 2.14583 hours remaining, 210.250000 MB of memory in use. ENERGY: 2332800 738.2053 2137.9899 1976.4223 117.7833 -206465.6145 17837.5584 0.0000 0.0000 34192.9207 -149464.7347 298.6153 -183657.6554 -149366.9654 298.7457 -91.6920 -59.4738 557285.2901 15.6612 15.6205 PRESSURE: 2333000 242.597 -83.938 -41.1097 -83.9378 -41.3204 11.353 -41.109 11.3534 -169.586 GPRESSURE: 2333000 280.407 -30.3579 -63.7468 -63.4103 16.0088 -46.0731 -28.9119 -103.335 -141.476 PRESSAVG: 2333000 90.0385 3.1193 19.0073 3.11936 -41.9363 -77.873 19.0072 -77.8729 -35.4607 GPRESSAVG: 2333000 90.2539 4.30149 18.6627 0.989635 -42.3456 -77.1502 20.8644 -78.5947 -35.6726 TIMING: 2333000 CPU: 6761.54, 0.0029099/step Wall: 6761.54, 0.0029099/step, 2.15575 hours remaining, 210.250000 MB of memory in use. ENERGY: 2333000 735.9243 2102.8297 1938.7241 115.9428 -206369.6632 17827.4019 0.0000 0.0000 34284.9913 -149363.8491 299.4194 -183648.8404 -149260.5485 298.8437 10.5634 51.6464 557077.0319 4.2138 4.0786 PRESSURE: 2333200 39.7449 -54.2417 -94.179 -54.2423 173.148 -143.233 -94.1799 -143.232 -79.993 GPRESSURE: 2333200 98.0592 4.25457 -56.5494 -95.2238 189.738 -179.463 -161.3 -99.736 -48.0158 PRESSAVG: 2333200 115.913 -2.3338 21.9946 -2.33382 -37.251 -37.6346 21.9946 -37.6347 -44.6173 GPRESSAVG: 2333200 115.279 -2.15282 22.2558 -1.31724 -36.7865 -38.7534 20.6567 -36.0705 -45.1067 TIMING: 2333200 CPU: 6762.12, 0.00291791/step Wall: 6762.12, 0.00291791/step, 2.16153 hours remaining, 210.250000 MB of memory in use. ENERGY: 2333200 739.9795 2113.8966 1955.5185 111.3238 -206536.2421 17884.3795 0.0000 0.0000 34157.1042 -149574.0400 298.3025 -183731.1442 -149478.7207 298.6763 44.3000 79.9272 555948.8666 11.3483 11.1285 PRESSURE: 2333400 -34.3518 94.4094 152.665 94.4103 -52.8749 -28.5377 152.664 -28.5381 134.192 GPRESSURE: 2333400 32.546 91.4788 162.395 118.214 -35.0999 70.3419 153.496 -61.5614 154.22 PRESSAVG: 2333400 31.1155 -41.137 31.2584 -41.137 -55.2783 -24.8448 31.2585 -24.8447 19.8074 GPRESSAVG: 2333400 32.7909 -41.7692 31.9953 -39.4263 -57.0824 -23.8852 29.2232 -24.9474 20.044 TIMING: 2333400 CPU: 6762.7, 0.00289561/step Wall: 6762.7, 0.00289561/step, 2.14484 hours remaining, 210.250000 MB of memory in use. ENERGY: 2333400 706.2784 2097.5884 1919.9760 103.3646 -206255.2101 17897.9714 0.0000 0.0000 34078.9098 -149451.1216 297.6196 -183530.0314 -149359.9826 298.5949 15.6550 50.5554 558457.3261 -1.4518 -1.4159 PRESSURE: 2333600 -150.756 126.488 33.2037 126.489 -183.818 64.1513 33.2041 64.1496 115.26 GPRESSURE: 2333600 -68.4882 36.8961 0.631108 224.118 -166.796 -15.2014 35.4959 160.037 122.509 PRESSAVG: 2333600 55.8596 -26.0922 -40.4948 -26.0922 -65.33 -12.3947 -40.4947 -12.3947 44.7833 GPRESSAVG: 2333600 55.5547 -23.8536 -41.1038 -27.5074 -65.2129 -13.3637 -39.4504 -11.6235 45.4489 TIMING: 2333600 CPU: 6763.28, 0.00287875/step Wall: 6763.28, 0.00287875/step, 2.1322 hours remaining, 210.250000 MB of memory in use. ENERGY: 2333600 752.1794 2087.1235 1935.0665 98.2761 -206481.4227 17880.1343 0.0000 0.0000 34344.6770 -149383.9659 299.9406 -183728.6429 -149291.0650 298.7390 -73.1045 -37.5918 557313.8133 11.7709 11.9302 PRESSURE: 2333800 270.828 -138.78 188.352 -138.78 118.66 -95.8577 188.353 -95.8589 209.781 GPRESSURE: 2333800 274.568 -84.3975 213.901 -170.721 191.325 -126.694 149.832 -52.8955 239.591 PRESSAVG: 2333800 47.5508 21.3494 53.2403 21.3493 18.0034 69.1228 53.2403 69.1229 -38.6815 GPRESSAVG: 2333800 47.6985 19.945 53.2959 21.3474 18.5413 69.4291 53.045 66.523 -39.5242 TIMING: 2333800 CPU: 6763.86, 0.00289787/step Wall: 6763.86, 0.00289787/step, 2.14619 hours remaining, 210.250000 MB of memory in use. ENERGY: 2333800 751.8465 2090.0030 1948.8718 114.3594 -206687.2137 18293.9149 0.0000 0.0000 34174.0998 -149314.1183 298.4509 -183488.2181 -149220.5936 299.0686 199.7565 235.1614 556813.0520 8.9575 8.9052 PRESSURE: 2334000 48.2171 87.4021 -1.09844 87.4021 122.823 15.4995 -1.09804 15.4992 121.662 GPRESSURE: 2334000 131.751 106.925 9.56495 23.2876 97.294 65.184 1.01355 -53.9927 178.983 PRESSAVG: 2334000 24.6089 -42.3151 -4.44935 -42.3152 -57.4658 -16.1039 -4.44937 -16.1038 13.2242 GPRESSAVG: 2334000 24.8695 -43.1242 -3.62985 -41.1755 -57.3683 -16.6803 -3.64588 -14.5766 13.1647 TIMING: 2334000 CPU: 6764.44, 0.0028935/step Wall: 6764.44, 0.0028935/step, 2.14279 hours remaining, 210.250000 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: 2334000 717.6158 2056.2955 1943.1005 123.7067 -206163.3100 17822.0110 0.0000 0.0000 34192.1636 -149308.4170 298.6087 -183500.5806 -149215.9722 299.0368 97.5671 136.0093 558878.1357 -6.5442 -6.4447 PRESSURE: 2334200 -357.151 -94.3 -15.7464 -94.3013 10.569 -170.719 -15.7475 -170.719 -183.145 GPRESSURE: 2334200 -305.738 -41.375 -6.70848 -184.18 10.3006 -102.269 -0.398394 -157.981 -137.078 PRESSAVG: 2334200 30.8425 22.6424 2.39611 22.6424 -10.284 -24.961 2.39615 -24.9609 8.54996 GPRESSAVG: 2334200 31.1638 24.084 3.2344 19.4856 -11.0953 -24.7722 0.781186 -25.8592 9.14331 TIMING: 2334200 CPU: 6765.02, 0.00292458/step Wall: 6765.02, 0.00292458/step, 2.16565 hours remaining, 210.250000 MB of memory in use. ENERGY: 2334200 765.3927 2076.5869 1946.6211 106.1014 -205915.9162 17486.0582 0.0000 0.0000 34074.2529 -149460.9031 297.5789 -183535.1559 -149365.8854 298.6931 -176.5759 -144.1716 557846.3713 9.7028 9.7373 PRESSURE: 2334400 93.4103 -137.316 203.73 -137.316 -45.3343 216.937 203.73 216.935 -65.9769 GPRESSURE: 2334400 118.352 -48.9916 232.048 -222.203 3.73615 255.953 103.86 97.4611 -55.6995 PRESSAVG: 2334400 50.3327 -14.3069 52.1755 -14.307 -22.7345 5.75023 52.1755 5.75025 2.88831 GPRESSAVG: 2334400 49.2169 -12.7245 49.8641 -14.3315 -21.6661 7.35067 53.9795 3.9725 2.58509 TIMING: 2334400 CPU: 6765.6, 0.00290433/step Wall: 6765.6, 0.00290433/step, 2.15049 hours remaining, 210.250000 MB of memory in use. ENERGY: 2334400 745.5487 2059.8141 1929.5914 112.1851 -206417.8258 17874.3089 0.0000 0.0000 34186.9627 -149509.4148 298.5632 -183696.3776 -149417.0686 298.3302 -5.9670 22.1296 557663.3878 10.1622 10.0453 PRESSURE: 2334600 -279.027 -81.1641 70.6814 -81.1639 -166.116 160.524 70.6817 160.524 -212.558 GPRESSURE: 2334600 -228.174 -8.82447 -10.7769 -53.3774 -107.968 176.952 82.2014 128.665 -217.876 PRESSAVG: 2334600 -33.6583 -27.2789 47.3411 -27.2789 8.97143 -33.9076 47.3411 -33.9076 -19.0884 GPRESSAVG: 2334600 -34.2161 -30.1405 46.828 -25.2914 9.24391 -34.3486 46.7975 -32.3319 -18.9014 TIMING: 2334600 CPU: 6766.18, 0.00289108/step Wall: 6766.18, 0.00289108/step, 2.14052 hours remaining, 210.250000 MB of memory in use. ENERGY: 2334600 747.0938 2066.7018 1960.0489 125.1782 -206130.2626 17588.6721 0.0000 0.0000 34303.1703 -149339.3974 299.5781 -183642.5677 -149244.7389 299.1307 -219.2335 -184.6725 557866.8983 -14.5918 -14.6246 PRESSURE: 2334800 14.5458 -150.516 112.1 -150.516 46.9488 -223.648 112.1 -223.648 17.2871 GPRESSURE: 2334800 67.7142 -85.4504 78.3333 -47.4915 101.188 -149.327 161.497 -269.069 1.02923 PRESSAVG: 2334800 -55.3987 -38.3972 8.44064 -38.3971 10.2396 3.62607 8.44067 3.62624 40.1773 GPRESSAVG: 2334800 -55.2724 -38.2125 10.6849 -36.4254 10.6176 3.50648 10.1033 3.44913 39.825 TIMING: 2334800 CPU: 6766.75, 0.0028623/step Wall: 6766.75, 0.0028623/step, 2.11905 hours remaining, 210.250000 MB of memory in use. ENERGY: 2334800 747.9624 2078.6751 1983.2460 139.6232 -206717.9845 17937.8932 0.0000 0.0000 34382.2577 -149448.3270 300.2688 -183830.5847 -149359.6368 298.6259 26.2606 56.6437 555942.9844 -1.6606 -1.6099 PRESSURE: 2335000 157.737 101.066 -171.66 101.066 -42.435 111.456 -171.661 111.455 -292.319 GPRESSURE: 2335000 146.575 24.1415 -179.091 68.454 -6.77029 69.1129 -180.072 178.007 -228.627 PRESSAVG: 2335000 -41.8353 26.4008 16.3095 26.4008 2.27225 -13.6287 16.3095 -13.6288 17.8901 GPRESSAVG: 2335000 -42.0662 28.0827 17.2411 24.485 2.39813 -11.8347 14.1602 -15.263 18.3972 TIMING: 2335000 CPU: 6767.32, 0.002858/step Wall: 6767.32, 0.002858/step, 2.11571 hours remaining, 210.250000 MB of memory in use. ENERGY: 2335000 728.4186 2075.9329 1945.0545 90.9331 -206257.9611 17710.8958 0.0000 0.0000 34179.5535 -149527.1726 298.4985 -183706.7261 -149435.1451 298.7939 -59.0057 -29.6074 556090.9986 -7.2243 -7.0903 PRESSURE: 2335200 -14.4872 -210.778 0.673882 -210.778 -23.7927 -10.3587 0.674676 -10.3585 -116.338 GPRESSURE: 2335200 31.8525 -133.257 63.7778 -208.077 10.9737 -81.2669 -109.642 -55.9945 -85.2671 PRESSAVG: 2335200 2.64641 -15 -0.89069 -14.9999 42.9287 -23.0767 -0.890667 -23.0768 -59.6708 GPRESSAVG: 2335200 4.33963 -16.078 -1.97284 -13.254 42.5156 -25.1537 -1.09107 -21.5664 -61.0039 TIMING: 2335200 CPU: 6767.9, 0.00290149/step Wall: 6767.9, 0.00290149/step, 2.14775 hours remaining, 210.250000 MB of memory in use. ENERGY: 2335200 748.3010 2084.1446 1950.5975 116.1349 -206276.1930 17815.0385 0.0000 0.0000 33970.5609 -149591.4157 296.6734 -183561.9765 -149492.0915 298.3246 -51.5392 -14.1470 557583.0526 -4.6986 -4.7162 PRESSURE: 2335400 73.1695 -52.1413 -27.2171 -52.1402 -105.267 46.5331 -27.2171 46.5317 -209.128 GPRESSURE: 2335400 116.965 -12.7883 -60.0894 -36.4133 -101.264 115.515 56.5791 38.7287 -145.432 PRESSAVG: 2335400 5.00109 6.76988 30.9349 6.76993 21.3945 -17.2802 30.9348 -17.2801 17.7202 GPRESSAVG: 2335400 2.61247 5.39802 31.7374 6.94266 22.7562 -16.1673 30.605 -17.7642 18.9081 TIMING: 2335400 CPU: 6768.48, 0.00288822/step Wall: 6768.48, 0.00288822/step, 2.13777 hours remaining, 210.250000 MB of memory in use. ENERGY: 2335400 760.6105 2108.9523 1947.6789 113.3040 -206149.4932 17763.9346 0.0000 0.0000 34092.5335 -149362.4794 297.7386 -183455.0130 -149263.8838 298.4055 -80.4085 -43.2441 558878.3245 14.7053 14.7589 PRESSURE: 2335600 148.618 122.467 30.8781 122.467 -182.188 -82.5625 30.8797 -82.5625 -25.2997 GPRESSURE: 2335600 250.938 198.599 6.37138 28.695 -205.344 -66.5014 11.785 -66.593 3.02008 PRESSAVG: 2335600 25.8909 -29.1328 16.9378 -29.1327 41.4218 4.70123 16.9378 4.70128 -87.4031 GPRESSAVG: 2335600 26.9045 -29.1688 15.067 -29.5369 39.6138 3.92926 18.5683 6.18993 -87.0833 TIMING: 2335600 CPU: 6769.06, 0.00287142/step Wall: 6769.06, 0.00287142/step, 2.12517 hours remaining, 210.250000 MB of memory in use. ENERGY: 2335600 748.3853 2088.6339 1941.1009 114.9677 -206401.4484 17896.6278 0.0000 0.0000 34288.7941 -149322.9388 299.4526 -183611.7329 -149228.0426 299.4783 -19.6232 16.2046 558028.4465 -6.6968 -6.8550 PRESSURE: 2335800 -115.293 70.5777 41.0708 70.5786 -22.4708 63.3305 41.0714 63.3289 -156.599 GPRESSURE: 2335800 -63.063 74.9078 -75.0277 1.60798 28.439 17.3907 64.4539 56.8243 -164.45 PRESSAVG: 2335800 52.1584 -50.5497 -1.97649 -50.5497 -11.0895 15.7534 -1.97645 15.7535 -56.5877 GPRESSAVG: 2335800 52.4802 -48.606 -1.41584 -51.2392 -10.3832 15.9599 -3.14055 15.11 -57.5397 TIMING: 2335800 CPU: 6769.63, 0.00287205/step Wall: 6769.63, 0.00287205/step, 2.12548 hours remaining, 210.250000 MB of memory in use. ENERGY: 2335800 795.8920 2041.0330 1964.3606 103.3313 -206607.1917 17844.5186 0.0000 0.0000 34242.2940 -149615.7621 299.0465 -183858.0561 -149521.9084 298.5417 -98.1210 -66.3580 556562.8566 -5.1729 -5.1476 PRESSURE: 2336000 91.2008 76.559 117.331 76.5584 -95.8039 -85.7827 117.332 -85.7833 -132.096 GPRESSURE: 2336000 117.247 111.442 33.5811 49.9086 -95.4227 -118.796 33.7226 -122.642 -48.7229 PRESSAVG: 2336000 -30.5741 14.3463 -0.872896 14.3462 60.9431 -47.8055 -0.872961 -47.8055 -69.7679 GPRESSAVG: 2336000 -31.28 11.9679 -0.0222323 15.4054 62.4411 -48.8418 -0.899073 -46.4702 -69.6019 TIMING: 2336000 CPU: 6770.21, 0.00288357/step Wall: 6770.21, 0.00288357/step, 2.13384 hours remaining, 210.250000 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: 2336000 720.8161 2115.9054 1983.4783 119.8946 -206188.8214 17757.4112 0.0000 0.0000 33880.1878 -149611.1280 295.8841 -183491.3158 -149509.4683 297.7547 -45.5662 -8.9662 557256.5736 -13.1330 -12.8136 PRESSURE: 2336200 -136.219 -69.7551 -73.8223 -69.7545 61.4135 14.716 -73.8225 14.7135 -331.3 GPRESSURE: 2336200 -67.637 56.841 -5.82269 -71.8685 89.1167 91.7326 -156.564 -63.9456 -319.134 PRESSAVG: 2336200 -5.05627 31.7981 -4.38448 31.798 44.8529 18.8332 -4.38458 18.8332 -56.2851 GPRESSAVG: 2336200 -4.70677 33.3874 -2.98677 31.2588 43.4107 19.0289 -5.17758 19.0131 -54.8782 TIMING: 2336200 CPU: 6770.78, 0.00286907/step Wall: 6770.78, 0.00286907/step, 2.12296 hours remaining, 210.250000 MB of memory in use. ENERGY: 2336200 758.5623 2089.6487 1960.5639 107.6599 -206134.4455 17609.3927 0.0000 0.0000 34173.5941 -149435.0238 298.4465 -183608.6179 -149346.4771 297.5873 -135.3687 -99.2179 557477.3533 -5.4961 -5.3914 LDB: ============= START OF LOAD BALANCING ============== 6774.16 LDB: ============== END OF LOAD BALANCING =============== 6774.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6774.17 LDB: ============= START OF LOAD BALANCING ============== 6774.45 LDB: Largest compute 4820 load 0.025274 is 21.4% of average load 0.117904 LDB: Average compute 0.001754 is 1.5% of average load 0.117904 LDB: TIME 6774.45 LOAD: AVG 0.117904 MAX 0.177761 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.906 MB LDB: TIME 6774.45 LOAD: AVG 0.117904 MAX 0.177761 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.906 MB LDB: TIME 6774.45 LOAD: AVG 0.117904 MAX 0.177761 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.906 MB LDB: ============== END OF LOAD BALANCING =============== 6774.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6774.46 PRESSURE: 2336400 107.242 0.203741 -142.395 0.203815 -12.7677 -151.776 -142.396 -151.775 -150.163 GPRESSURE: 2336400 124.666 36.2566 -86.5966 -49.8109 20.2162 -137.328 -180.248 -114.096 -106.725 PRESSAVG: 2336400 -56.0231 12.9867 -6.4824 12.9866 44.4303 -56.4631 -6.48241 -56.4631 -3.23242 GPRESSAVG: 2336400 -57.0033 13.0066 -7.37996 12.5366 45.577 -55.3807 -5.74004 -57.7649 -4.18938 TIMING: 2336400 CPU: 6771.36, 0.00291293/step Wall: 6771.36, 0.00291293/step, 2.15524 hours remaining, 209.734375 MB of memory in use. ENERGY: 2336400 723.7794 2067.1099 1956.1532 106.1147 -206185.1128 17801.1695 0.0000 0.0000 34098.0895 -149432.6966 297.7871 -183530.7861 -149337.1494 298.1622 -18.5629 12.7193 557051.6733 -4.9417 -5.2052 PRESSURE: 2336600 1.31154 -38.2167 -88.1886 -38.2163 145.727 86.4017 -88.189 86.4016 195.918 GPRESSURE: 2336600 -9.59805 21.8808 -63.8156 -53.2121 177.769 64.5737 -104.15 66.6386 269.705 PRESSAVG: 2336600 -17.8709 -16.7431 21.7413 -16.7431 -35.3368 -37.1901 21.7413 -37.1902 47.0565 GPRESSAVG: 2336600 -16.4222 -17.0225 20.3632 -17.5883 -35.8161 -38.5418 21.9208 -35.9122 46.0088 TIMING: 2336600 CPU: 6771.94, 0.002879/step Wall: 6771.94, 0.002879/step, 2.12998 hours remaining, 209.804688 MB of memory in use. ENERGY: 2336600 682.3117 2109.0550 1941.0370 108.6944 -206347.0087 17859.4473 0.0000 0.0000 34217.6668 -149428.7964 298.8314 -183646.4633 -149336.0295 298.3907 114.3186 145.9586 556530.0024 -2.0504 -2.0765 PRESSURE: 2336800 -82.3759 -105.777 -82.4203 -105.777 -158.315 -8.68998 -82.4215 -8.6921 -229.076 GPRESSURE: 2336800 -103.195 -131.883 -32.8247 -118.77 -124.616 -28.9044 -50.2689 36.884 -150.007 PRESSAVG: 2336800 94.5142 48.1567 15.8294 48.1567 -16.4035 -4.69615 15.8294 -4.6962 -78.702 GPRESSAVG: 2336800 93.8984 46.9925 17.6304 48.9538 -17.2976 -3.18275 15.2186 -4.04001 -77.81 TIMING: 2336800 CPU: 6772.52, 0.00289623/step Wall: 6772.52, 0.00289623/step, 2.14257 hours remaining, 209.804688 MB of memory in use. ENERGY: 2336800 732.5781 2074.1300 1945.2355 112.6215 -205983.1841 17683.5221 0.0000 0.0000 34163.6735 -149271.4233 298.3599 -183435.0969 -149176.1033 298.5355 -156.5890 -125.9394 559687.4317 -0.1971 -0.4031 PRESSURE: 2337000 130.556 -132.469 -180.671 -132.469 189.276 -115.817 -180.671 -115.816 16.0888 GPRESSURE: 2337000 187.755 -83.7708 -218.347 -197.764 209.992 -152.921 -131.917 -39.269 40.5885 PRESSAVG: 2337000 -10.9122 4.26812 -11.294 4.26819 -10.8046 -40.5588 -11.294 -40.5587 -37.77 GPRESSAVG: 2337000 -11.803 6.2688 -10.7986 0.927763 -10.3032 -39.3727 -12.3265 -42.3495 -37.5112 TIMING: 2337000 CPU: 6773.1, 0.00288559/step Wall: 6773.1, 0.00288559/step, 2.13454 hours remaining, 209.804688 MB of memory in use. ENERGY: 2337000 716.3479 2051.8511 1945.5147 128.9160 -206471.2679 17954.4661 0.0000 0.0000 34382.4347 -149291.7376 300.2704 -183674.1723 -149199.2626 299.0559 111.9736 146.1118 557799.6279 -19.8289 -19.8725 PRESSURE: 2337200 -346.603 25.6814 -19.4458 25.6813 167.788 66.5835 -19.4467 66.582 -254.724 GPRESSURE: 2337200 -282.636 52.614 -48.1504 10.5006 140.448 75.5578 36.1756 139.436 -199.772 PRESSAVG: 2337200 16.6045 11.7204 -67.4411 11.7204 0.495212 -54.9541 -67.4411 -54.9541 -18.9915 GPRESSAVG: 2337200 18.6373 10.0423 -68.7195 13.923 0.0975769 -55.4865 -66.4159 -55.576 -20.7952 TIMING: 2337200 CPU: 6773.68, 0.00290814/step Wall: 6773.68, 0.00290814/step, 2.15105 hours remaining, 209.804688 MB of memory in use. ENERGY: 2337200 766.4012 2043.6798 1979.9370 118.0386 -206291.3437 17924.4198 0.0000 0.0000 34294.2382 -149164.6292 299.5001 -183458.8674 -149073.7301 299.8963 -144.5131 -113.9864 559724.9827 -0.6306 -0.6868 PRESSURE: 2337400 14.9164 28.5228 28.8823 28.5231 -148.633 -144.123 28.8832 -144.123 14.6624 GPRESSURE: 2337400 27.1115 119.262 -104.965 -45.5637 -103.402 -266.09 104.978 -157.08 50.7759 PRESSAVG: 2337400 15.3068 1.9607 -22.3169 1.96068 5.74913 -60.4201 -22.3169 -60.42 -54.9877 GPRESSAVG: 2337400 13.7298 2.23681 -23.6136 4.18905 6.24552 -64.1411 -20.7228 -58.8696 -53.5848 TIMING: 2337400 CPU: 6774.26, 0.00289526/step Wall: 6774.26, 0.00289526/step, 2.14136 hours remaining, 209.871094 MB of memory in use. ENERGY: 2337400 725.3982 2079.7254 1970.2029 126.7252 -206212.2436 17810.2524 0.0000 0.0000 34359.7052 -149140.2343 300.0719 -183499.9395 -149046.9702 299.1923 -39.6848 -8.5048 557629.7158 -11.3106 -11.2032 PRESSURE: 2337600 -65.1526 61.2509 110.851 61.2499 -57.0852 201.184 110.852 201.182 -57.8849 GPRESSURE: 2337600 -124.479 84.7978 126.423 125.808 -11.4779 174.23 112.236 217.588 31.5023 PRESSAVG: 2337600 -22.7658 -9.08236 -28.1657 -9.0823 48.8055 0.251608 -28.1658 0.251708 4.83227 GPRESSAVG: 2337600 -21.466 -9.92093 -26.0017 -8.89691 47.4818 1.89409 -29.7705 -0.678355 4.88574 TIMING: 2337600 CPU: 6774.84, 0.0029046/step Wall: 6774.84, 0.0029046/step, 2.14812 hours remaining, 209.871094 MB of memory in use. ENERGY: 2337600 739.7203 2125.2946 1927.7431 112.3679 -206023.4114 17709.3344 0.0000 0.0000 34195.2773 -149213.6739 298.6359 -183408.9512 -149113.3137 299.2399 -60.0409 -34.8180 557571.9433 10.2907 10.3005 PRESSURE: 2337800 -293.053 97.531 19.828 97.53 29.1264 -48.8338 19.8277 -48.8337 72.7193 GPRESSURE: 2337800 -244.395 127.467 61.3333 15.4485 98.7453 -66.897 80.2492 17.1645 47.6488 PRESSAVG: 2337800 1.78082 -14.6888 -17.9396 -14.6887 -12.9129 27.665 -17.9395 27.6649 65.8624 GPRESSAVG: 2337800 2.26172 -14.1303 -18.5223 -17.3804 -11.761 27.7511 -18.9137 27.1102 64.7547 TIMING: 2337800 CPU: 6775.42, 0.00293115/step Wall: 6775.42, 0.00293115/step, 2.16759 hours remaining, 209.871094 MB of memory in use. ENERGY: 2337800 780.2035 2157.7984 1958.7356 119.2590 -206164.2625 17822.9933 0.0000 0.0000 34073.8855 -149251.3870 297.5757 -183325.2725 -149155.3965 299.3229 -63.7358 -32.6670 557957.5049 18.2435 18.4184 PRESSURE: 2338000 92.3779 50.6224 -196.657 50.6227 50.5022 137.196 -196.658 137.196 58.1834 GPRESSURE: 2338000 146.892 26.2962 -232.784 50.5589 59.3996 91.9979 -153.37 121.887 88.6468 PRESSAVG: 2338000 36.7985 -19.433 -31.2547 -19.433 -10.6108 30.3776 -31.2547 30.3776 -7.7264 GPRESSAVG: 2338000 37.2078 -17.1555 -31.1576 -18.2597 -11.6809 30.0878 -30.456 30.7955 -6.95837 TIMING: 2338000 CPU: 6776.01, 0.00292158/step Wall: 6776.01, 0.00292158/step, 2.16035 hours remaining, 209.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2338000 788.9696 2084.3680 1943.0149 120.6984 -206220.3926 17924.2885 0.0000 0.0000 34323.6034 -149035.4498 299.7566 -183359.0531 -148932.9944 299.5621 67.0212 98.3130 555856.5376 6.1538 6.1895 PRESSURE: 2338200 302.833 54.0632 26.6473 54.0632 -67.3492 24.6943 26.6478 24.6913 -41.1042 GPRESSURE: 2338200 291.984 26.8311 87.8226 39.2684 13.3985 -10.9881 -36.4525 39.8328 -10.4874 PRESSAVG: 2338200 46.9359 -2.93771 -51.7998 -2.93769 -61.0293 44.3823 -51.7999 44.3824 7.18363 GPRESSAVG: 2338200 46.7647 -3.78335 -52.5074 -1.80378 -61.76 43.2821 -52.0216 45.4394 7.75921 TIMING: 2338200 CPU: 6776.59, 0.00289515/step Wall: 6776.59, 0.00289515/step, 2.14064 hours remaining, 209.871094 MB of memory in use. ENERGY: 2338200 752.6764 2104.9415 1949.5410 114.6852 -206161.2884 18037.2793 0.0000 0.0000 34276.0515 -148926.1134 299.3413 -183202.1649 -148826.8782 299.9693 64.7933 98.2983 559304.8478 -2.3033 -2.4120 PRESSURE: 2338400 -24.8054 -123.838 -87.2412 -123.837 -251.158 7.53052 -87.2426 7.53033 -105.091 GPRESSURE: 2338400 34.7216 -57.2264 -138.483 -181.029 -235.759 14.4126 -65.224 95.4776 -93.7064 PRESSAVG: 2338400 26.663 -45.4051 -5.0105 -45.4051 -36.1962 41.7469 -5.01045 41.7469 28.5421 GPRESSAVG: 2338400 25.9355 -47.6765 -6.74202 -44.8485 -34.5171 44.4758 -2.11963 39.7805 27.7396 TIMING: 2338400 CPU: 6777.17, 0.0029017/step Wall: 6777.17, 0.0029017/step, 2.14533 hours remaining, 209.871094 MB of memory in use. ENERGY: 2338400 768.3850 2114.5559 1941.7152 117.4090 -206053.6763 17883.0989 0.0000 0.0000 34326.3810 -148902.1313 299.7808 -183228.5123 -148817.1800 300.1174 -127.0182 -98.2481 558578.0994 6.3363 6.3860 PRESSURE: 2338600 72.4782 -34.9372 -34.4429 -34.9389 -346.744 -38.4144 -34.4425 -38.4147 -217.253 GPRESSURE: 2338600 105.681 -16.9892 -19.8997 -33.1195 -302.751 -100.486 -57.5859 -119.952 -176.215 PRESSAVG: 2338600 -7.94969 -50.5724 -50.5134 -50.5724 2.98659 27.0152 -50.5135 27.0151 -5.47996 GPRESSAVG: 2338600 -8.09125 -47.5486 -48.6173 -52.4212 2.79112 25.2048 -52.4698 27.0311 -5.15499 TIMING: 2338600 CPU: 6777.75, 0.00292033/step Wall: 6777.75, 0.00292033/step, 2.15893 hours remaining, 209.871094 MB of memory in use. ENERGY: 2338600 712.3267 2073.6087 1953.9247 113.7064 -205769.1132 17596.1678 0.0000 0.0000 34570.6020 -148748.7769 301.9137 -183319.3789 -148647.4068 300.3086 -163.8395 -124.4284 557904.9988 -3.4810 -3.4850 PRESSURE: 2338800 -74.4193 -62.6826 3.51505 -62.6833 -90.5808 -25.903 3.51422 -25.9022 36.3906 GPRESSURE: 2338800 -45.5605 -86.0935 -50.7671 -47.4265 -62.313 30.521 95.0099 -30.8519 83.669 PRESSAVG: 2338800 -50.2817 -27.5497 -0.816713 -27.5496 3.91688 13.5284 -0.816704 13.5284 33.3975 GPRESSAVG: 2338800 -49.4652 -27.0042 0.243146 -29.4508 3.3797 13.1243 -0.902104 15.7661 33.1587 TIMING: 2338800 CPU: 6778.33, 0.0029113/step Wall: 6778.33, 0.0029113/step, 2.1521 hours remaining, 209.871094 MB of memory in use. ENERGY: 2338800 726.6294 2092.2337 1943.4666 115.4691 -206055.1246 17823.2896 0.0000 0.0000 34418.0538 -148935.9824 300.5814 -183354.0362 -148831.2784 300.9656 -42.8698 -8.0682 558644.7258 -4.3224 -4.3089 PRESSURE: 2339000 79.2805 49.0421 -53.3249 49.0423 -177.749 143.716 -53.3245 143.716 61.4749 GPRESSURE: 2339000 82.601 14.7909 -77.6315 62.0017 -150.332 167.232 -62.2426 119.224 127.315 PRESSAVG: 2339000 37.5342 3.19673 -35.608 3.19674 -6.16813 -38.1622 -35.608 -38.1623 30.7758 GPRESSAVG: 2339000 37.1242 2.3132 -35.5771 3.61076 -5.5544 -39.2552 -36.7427 -38.5518 30.6351 TIMING: 2339000 CPU: 6778.91, 0.00289157/step Wall: 6778.91, 0.00289157/step, 2.13735 hours remaining, 209.871094 MB of memory in use. ENERGY: 2339000 764.1980 2126.7300 1944.2225 107.9499 -206014.4667 17843.5265 0.0000 0.0000 34469.9093 -148757.9306 301.0343 -183227.8398 -148663.2802 300.6271 -12.3312 19.8613 559507.4778 20.7140 20.7350 PRESSURE: 2339200 -155.24 164.07 99.7587 164.07 96.4721 -53.7319 99.7588 -53.7314 -195.461 GPRESSURE: 2339200 -112.084 167.079 78.0271 128.091 115.529 -21.4227 102.87 -8.06524 -157.466 PRESSAVG: 2339200 -49.8587 -12.2056 12.7842 -12.2055 -17.5876 -20.5264 12.7842 -20.5263 66.6096 GPRESSAVG: 2339200 -49.4277 -12.7679 12.9617 -9.7192 -17.6266 -18.9332 12.8152 -20.5531 66.4456 TIMING: 2339200 CPU: 6779.49, 0.0028981/step Wall: 6779.49, 0.0028981/step, 2.14202 hours remaining, 209.871094 MB of memory in use. ENERGY: 2339200 768.5902 2052.1921 1956.2504 120.2975 -205888.8533 17755.8404 0.0000 0.0000 34577.7627 -148657.9200 301.9762 -183235.6827 -148560.4419 300.8298 -84.7428 -51.3403 558674.8602 -0.2789 -0.2029 PRESSURE: 2339400 -209.865 -25.8294 -22.2612 -25.8291 -188.835 45.698 -22.2607 45.6982 127.343 GPRESSURE: 2339400 -184.092 -39.3357 -33.0287 -29.7587 -128.451 79.3166 35.6269 -35.7796 146.693 PRESSAVG: 2339400 -8.69894 3.83287 -34.7897 3.83277 -32.4124 27.2278 -34.7897 27.2277 -6.70966 GPRESSAVG: 2339400 -9.4373 2.57475 -36.102 3.47458 -32.6362 26.8219 -32.8707 27.1918 -6.22608 TIMING: 2339400 CPU: 6780.07, 0.00288482/step Wall: 6780.07, 0.00288482/step, 2.13204 hours remaining, 209.871094 MB of memory in use. ENERGY: 2339400 744.5774 2061.7471 1942.4355 121.8152 -205776.9307 17521.6031 0.0000 0.0000 34555.5598 -148829.1926 301.7823 -183384.7524 -148733.6573 301.1620 -90.4524 -55.2833 558972.5386 -15.9403 -16.0999 PRESSURE: 2339600 277.958 -12.6673 -69.343 -12.6669 202.336 -15.8732 -69.3426 -15.8739 -98.6066 GPRESSURE: 2339600 369.152 15.9424 -13.9554 -18.7575 172.724 18.7284 -79.5262 -7.03564 -62.3452 PRESSAVG: 2339600 63.2521 25.5299 -0.43962 25.5298 2.60924 -31.1925 -0.439634 -31.1927 -47.273 GPRESSAVG: 2339600 63.9421 26.6411 0.837404 24.8589 1.92754 -30.7533 -4.33588 -32.244 -47.2613 TIMING: 2339600 CPU: 6780.65, 0.00289016/step Wall: 6780.65, 0.00289016/step, 2.13583 hours remaining, 209.871094 MB of memory in use. ENERGY: 2339600 742.1332 2111.9193 1936.6080 114.0621 -206198.9333 17918.5542 0.0000 0.0000 34610.8510 -148764.8054 302.2652 -183375.6564 -148668.7233 300.6482 127.2292 159.8435 557263.0608 6.1961 6.2028 PRESSURE: 2339800 -64.7282 -69.0489 -13.7675 -69.0488 -138.634 205.218 -13.7666 205.218 -111.888 GPRESSURE: 2339800 -100.092 22.3653 -15.9807 -43.7607 -32.772 231.922 2.89626 174.092 -74.5337 PRESSAVG: 2339800 77.7853 -3.85448 31.3831 -3.85442 49.2896 47.6862 31.3831 47.6861 -40.9959 GPRESSAVG: 2339800 76.9814 -6.52016 30.8911 -1.47084 49.4144 47.2925 34.522 47.7972 -40.6318 TIMING: 2339800 CPU: 6781.22, 0.00288027/step Wall: 6781.22, 0.00288027/step, 2.12836 hours remaining, 209.871094 MB of memory in use. ENERGY: 2339800 744.4938 2038.5416 1934.4039 121.6183 -205810.4571 17598.0254 0.0000 0.0000 34380.8420 -148992.5320 300.2564 -183373.3740 -148891.2897 301.3710 -105.0835 -69.1327 556865.2622 28.6930 28.5880 PRESSURE: 2340000 224.881 -21.1965 250.235 -21.1985 43.9919 24.2012 250.235 24.2026 -29.7442 GPRESSURE: 2340000 257.512 -113.464 231.562 -9.86514 20.8017 -4.6062 210.242 13.719 65.5901 PRESSAVG: 2340000 3.37038 28.8865 3.8755 28.8865 6.74294 16.6136 3.87544 16.6136 2.32271 GPRESSAVG: 2340000 3.92678 30.3401 3.18143 27.5233 6.49384 13.7019 3.15039 15.0671 1.36311 TIMING: 2340000 CPU: 6781.8, 0.00287175/step Wall: 6781.8, 0.00287175/step, 2.1219 hours remaining, 209.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2340000 715.0463 2082.4330 1964.0265 105.8522 -206309.9927 17819.6666 0.0000 0.0000 34553.2073 -149069.7608 301.7618 -183622.9681 -148970.9522 300.7978 79.7097 114.6348 555231.8533 4.1453 3.9279 PRESSURE: 2340200 -62.7588 27.3007 268.713 27.3012 87.8903 30.5221 268.713 30.5232 149.729 GPRESSURE: 2340200 30.8207 36.2975 247.023 -29.3344 78.4903 -46.1901 279.652 176.915 170.18 PRESSAVG: 2340200 -29.9539 22.7978 30.7267 22.7978 5.64488 10.899 30.7267 10.8989 43.7052 GPRESSAVG: 2340200 -29.4383 23.9161 31.3921 21.5258 5.37601 11.0551 30.8946 14.2609 43.6275 TIMING: 2340200 CPU: 6782.38, 0.00290145/step Wall: 6782.38, 0.00290145/step, 2.14369 hours remaining, 209.871094 MB of memory in use. ENERGY: 2340200 781.7143 2073.1751 1932.8690 120.2175 -206285.1793 17866.4269 0.0000 0.0000 34239.9212 -149270.8552 299.0257 -183510.7764 -149178.8064 299.6393 58.2870 93.1636 555056.7525 6.4654 6.5217 LDB: ============= START OF LOAD BALANCING ============== 6785.76 LDB: ============== END OF LOAD BALANCING =============== 6785.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6785.76 LDB: ============= START OF LOAD BALANCING ============== 6786.06 LDB: Largest compute 4820 load 0.026066 is 22.1% of average load 0.117926 LDB: Average compute 0.001756 is 1.5% of average load 0.117926 LDB: TIME 6786.06 LOAD: AVG 0.117926 MAX 0.179998 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.059 MB LDB: TIME 6786.06 LOAD: AVG 0.117926 MAX 0.179998 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 6786.06 LOAD: AVG 0.117926 MAX 0.179998 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: ============== END OF LOAD BALANCING =============== 6786.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6786.06 PRESSURE: 2340400 64.9671 127.898 99.1921 127.897 18.408 -3.734 99.1929 -3.73417 101.416 GPRESSURE: 2340400 82.2888 112.342 51.8094 158.482 81.7831 -96.5926 79.2365 -55.4308 122.559 PRESSAVG: 2340400 -15.2305 -25.5931 15.8613 -25.593 28.5172 72.9729 15.8612 72.9729 24.3525 GPRESSAVG: 2340400 -16.34 -25.5962 15.9286 -27.015 29.8083 75.6678 15.8389 70.8408 24.5673 TIMING: 2340400 CPU: 6782.97, 0.00295381/step Wall: 6782.97, 0.00295381/step, 2.18221 hours remaining, 209.019531 MB of memory in use. ENERGY: 2340400 729.6385 2032.6125 1948.4409 114.9828 -206537.6086 17903.4405 0.0000 0.0000 34493.8545 -149314.6389 301.2434 -183808.4934 -149212.5725 299.3193 61.5969 95.5435 555518.5213 12.5464 12.6785 PRESSURE: 2340600 24.5383 50.4209 51.9373 50.4214 13.1338 -138.16 51.9374 -138.161 -41.111 GPRESSURE: 2340600 109.606 24.0726 118.857 -82.2411 -26.054 -159.318 31.4909 -46.3455 11.1683 PRESSAVG: 2340600 -3.49403 1.11512 36.8471 1.1152 -22.6195 26.5944 36.8472 26.5944 49.3682 GPRESSAVG: 2340600 -2.98848 1.52765 36.2576 2.27743 -23.3417 24.3289 37.8835 27.3063 49.8333 TIMING: 2340600 CPU: 6783.55, 0.0028851/step Wall: 6783.55, 0.0028851/step, 2.13128 hours remaining, 209.019531 MB of memory in use. ENERGY: 2340600 725.1468 2089.6334 1944.0831 108.7459 -206229.7230 17696.6673 0.0000 0.0000 34262.3178 -149403.1287 299.2213 -183665.4465 -149301.8877 299.0886 -1.1463 31.5734 556045.4424 7.7515 7.8344 PRESSURE: 2340800 -16.06 -63.6179 90.3974 -63.6176 -21.5536 54.3092 90.3971 54.31 76.6356 GPRESSURE: 2340800 -26.25 -20.0242 -14.0539 -26.1086 87.8918 179.746 139.432 -34.2371 66.9393 PRESSAVG: 2340800 -47.8907 -28.2607 31.894 -28.2607 86.2865 -5.31874 31.894 -5.31875 -25.6179 GPRESSAVG: 2340800 -48.3135 -29.2457 31.9329 -27.439 86.4739 -2.67921 32.3396 -5.66456 -25.8185 TIMING: 2340800 CPU: 6784.12, 0.00289319/step Wall: 6784.12, 0.00289319/step, 2.1371 hours remaining, 209.019531 MB of memory in use. ENERGY: 2340800 727.6974 2080.6057 1961.4094 118.5816 -206321.6297 17780.9581 0.0000 0.0000 34136.6257 -149515.7518 298.1236 -183652.3775 -149420.8559 299.2056 13.0074 42.8604 555318.3835 4.2593 4.1140 PRESSURE: 2341000 -90.5221 -48.6614 -48.198 -48.6607 -102.882 4.79764 -48.1981 4.79794 13.2746 GPRESSURE: 2341000 -45.5906 83.0808 -75.6156 -49.5393 -70.0803 -17.1695 61.3462 14.8709 29.2697 PRESSAVG: 2341000 -8.59934 2.60633 31.605 2.60635 -7.4654 29.1022 31.605 29.1022 29.5 GPRESSAVG: 2341000 -9.07684 2.45127 29.1897 3.75264 -6.29205 27.4209 32.2945 28.666 28.7966 TIMING: 2341000 CPU: 6784.7, 0.00289326/step Wall: 6784.7, 0.00289326/step, 2.137 hours remaining, 209.019531 MB of memory in use. ENERGY: 2341000 711.0435 2127.9563 1950.1634 106.5788 -206088.6625 17477.9160 0.0000 0.0000 34347.5167 -149367.4878 299.9654 -183715.0045 -149277.0489 299.0827 -60.0432 -28.8004 556455.3108 4.4784 4.4759 PRESSURE: 2341200 -171.539 -15.2439 -60.0009 -15.244 6.37117 -82.1512 -60.0006 -82.1512 -95.9043 GPRESSURE: 2341200 -150.708 -37.3602 -81.0807 -18.8032 38.14 -122.874 -22.3909 29.49 -50.5338 PRESSAVG: 2341200 43.3868 -48.9639 26.7741 -48.9638 -5.60257 -42.0146 26.7741 -42.0146 -39.2795 GPRESSAVG: 2341200 42.8886 -47.6091 28.8147 -53.2468 -5.62543 -41.5 23.9034 -42.087 -38.823 TIMING: 2341200 CPU: 6785.28, 0.00288584/step Wall: 6785.28, 0.00288584/step, 2.13135 hours remaining, 209.019531 MB of memory in use. ENERGY: 2341200 727.9302 2125.2853 1932.0415 119.3045 -206144.2449 17524.5568 0.0000 0.0000 34327.8652 -149387.2615 299.7938 -183715.1267 -149294.9626 299.3228 -87.0240 -54.3671 555859.2829 -0.4984 -0.5199 PRESSURE: 2341400 7.2197 55.8993 -9.17578 55.9006 -123.124 -11.8483 -9.17654 -11.8475 88.6857 GPRESSURE: 2341400 71.0694 -33.4696 -20.1403 -11.1398 -91.8382 -16.8162 -24.0446 37.9596 88.622 PRESSAVG: 2341400 -36.0333 15.664 21.7202 15.664 0.200398 -10.0938 21.7202 -10.0937 84.158 GPRESSAVG: 2341400 -34.9798 18.6142 19.7101 16.0086 -0.737735 -9.48657 22.7616 -10.4689 84.2398 TIMING: 2341400 CPU: 6785.86, 0.00291092/step Wall: 6785.86, 0.00291092/step, 2.14972 hours remaining, 209.308594 MB of memory in use. ENERGY: 2341400 754.3407 2090.8575 1921.0874 108.2684 -206158.8838 17687.0148 0.0000 0.0000 34312.1170 -149285.1980 299.6563 -183597.3150 -149195.2066 299.1871 -9.0729 22.6177 556178.4034 16.1084 16.1741 PRESSURE: 2341600 135.106 -206.719 -45.7306 -206.719 184.35 -83.3143 -45.7293 -83.3161 98.2715 GPRESSURE: 2341600 167.829 -146.824 -7.06953 -172.037 202.788 -99.5512 -25.0566 -44.2411 137.418 PRESSAVG: 2341600 -55.3871 -17.0907 -33.7272 -17.0907 -13.3454 -54.8467 -33.7273 -54.8468 84.2599 GPRESSAVG: 2341600 -54.5195 -20.8318 -30.6048 -15.0692 -13.401 -54.0641 -33.0171 -53.3799 83.451 TIMING: 2341600 CPU: 6786.44, 0.00289222/step Wall: 6786.44, 0.00289222/step, 2.13575 hours remaining, 209.308594 MB of memory in use. ENERGY: 2341600 742.7542 2147.6673 1955.0609 111.2229 -206143.6078 17824.8915 0.0000 0.0000 34140.3450 -149221.6661 298.1561 -183362.0111 -149122.6868 299.3685 139.2426 169.3451 556958.5072 5.1758 5.1768 PRESSURE: 2341800 55.9762 62.4282 61.1855 62.4285 -107.946 -81.9421 61.1857 -81.9446 84.1172 GPRESSURE: 2341800 95.3927 120.359 81.6021 71.1812 -112.568 -123.587 105.103 -30.2064 147.703 PRESSAVG: 2341800 -10.2743 15.0448 2.37686 15.0447 -70.6871 10.9919 2.37691 10.9918 143.452 GPRESSAVG: 2341800 -11.4689 16.2152 1.4351 14.2986 -70.4737 7.98159 2.29099 10.3666 144.406 TIMING: 2341800 CPU: 6787.02, 0.0028846/step Wall: 6787.02, 0.0028846/step, 2.12996 hours remaining, 209.308594 MB of memory in use. ENERGY: 2341800 761.4066 2094.7802 1971.3375 117.5447 -206187.8750 17813.8810 0.0000 0.0000 34349.1998 -149079.7252 299.9801 -183428.9250 -148981.9896 299.6688 10.7159 43.5094 556105.1005 20.8301 20.8210 PRESSURE: 2342000 17.9855 141.308 89.4159 141.309 -97.1108 89.4302 89.4159 89.4304 309.514 GPRESSURE: 2342000 47.9518 139.852 12.8478 188.747 -50.9318 100.708 85.1492 113.723 333.854 PRESSAVG: 2342000 14.1838 36.5515 32.0998 36.5515 -62.071 1.29927 32.0999 1.29916 74.4024 GPRESSAVG: 2342000 14.16 33.4831 33.5122 38.188 -62.0287 2.89402 31.7302 2.70797 74.6747 TIMING: 2342000 CPU: 6787.6, 0.00289887/step Wall: 6787.6, 0.00289887/step, 2.14033 hours remaining, 209.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2342000 697.2486 2098.5953 1952.9667 122.1030 -206059.9344 17791.2256 0.0000 0.0000 34356.7397 -149041.0554 300.0460 -183397.7951 -148940.9127 300.0096 76.7961 110.2912 556735.4828 8.8384 8.9353 PRESSURE: 2342200 27.8579 -62.5738 218.079 -62.5734 -106.876 127.383 218.079 127.386 170.53 GPRESSURE: 2342200 35.3973 -2.07007 88.7661 -78.4607 -71.4711 160.884 261.54 189.864 228.474 PRESSAVG: 2342200 -18.2283 21.0339 84.7314 21.0339 -3.0478 29.3149 84.7315 29.3149 47.3994 GPRESSAVG: 2342200 -18.0772 23.6981 84.2902 19.4003 -1.66049 27.8271 83.7032 27.3035 45.5872 TIMING: 2342200 CPU: 6788.18, 0.00289327/step Wall: 6788.18, 0.00289327/step, 2.13604 hours remaining, 209.308594 MB of memory in use. ENERGY: 2342200 747.7001 2078.3240 1962.2984 102.6922 -206090.5350 17623.0050 0.0000 0.0000 34349.9090 -149226.6063 299.9863 -183576.5153 -149134.8502 299.7396 30.5042 64.1333 556777.6769 8.7078 8.6165 PRESSURE: 2342400 -191.581 -32.6345 21.8321 -32.634 133.685 -64.221 21.8321 -64.22 -66.4447 GPRESSURE: 2342400 -148.738 -39.6325 50.1945 34.1568 146.183 20.8372 131.701 -82.5874 -21.9794 PRESSAVG: 2342400 0.817102 7.68243 9.51624 7.68242 26.0535 8.69632 9.51613 8.69641 6.42019 GPRESSAVG: 2342400 1.40129 8.52625 9.05102 6.29557 23.5913 10.0207 10.0535 8.47179 8.31061 TIMING: 2342400 CPU: 6788.75, 0.00288858/step Wall: 6788.75, 0.00288858/step, 2.13241 hours remaining, 209.308594 MB of memory in use. ENERGY: 2342400 783.4040 2107.6687 1956.6315 114.8031 -205856.5664 17639.0332 0.0000 0.0000 34109.3861 -149145.6399 297.8858 -183255.0259 -149050.1525 299.3856 -41.4469 -8.1782 558164.1390 11.0969 11.1011 PRESSURE: 2342600 243.317 91.1323 -43.7556 91.1332 133.452 -5.99083 -43.7549 -5.9941 -2.35544 GPRESSURE: 2342600 230.24 200.362 3.87434 42.3725 201.134 15.4685 -58.8513 -50.5066 36.7606 PRESSAVG: 2342600 -13.6395 -28.0765 24.4593 -28.0765 -24.5633 20.2566 24.4593 20.2565 7.6128 GPRESSAVG: 2342600 -14.8764 -30.5256 25.7017 -24.737 -23.082 18.7713 24.011 21.4678 7.95213 TIMING: 2342600 CPU: 6789.33, 0.00289822/step Wall: 6789.33, 0.00289822/step, 2.13937 hours remaining, 209.308594 MB of memory in use. ENERGY: 2342600 736.2963 2102.3974 1958.1813 120.7097 -206253.4694 17976.5531 0.0000 0.0000 34273.0638 -149086.2679 299.3152 -183359.3317 -148994.9395 298.6316 124.8045 156.0449 557963.2966 -10.1967 -10.0021 PRESSURE: 2342800 -29.5276 -49.8792 -108.863 -49.8792 228.358 -164.88 -108.863 -164.881 -69.1059 GPRESSURE: 2342800 14.7286 -86.2726 -77.616 -23.887 198.421 -146.229 -131.251 -106.401 11.9712 PRESSAVG: 2342800 -16.1361 48.3634 85.2044 48.3634 77.2524 -29.5419 85.2044 -29.5419 -18.195 GPRESSAVG: 2342800 -15.5564 50.072 84.543 46.7781 76.591 -28.0277 86.7378 -30.2792 -18.0604 TIMING: 2342800 CPU: 6789.91, 0.0029045/step Wall: 6789.91, 0.0029045/step, 2.14384 hours remaining, 209.308594 MB of memory in use. ENERGY: 2342800 767.7254 2107.6280 1970.2678 100.7317 -206463.9171 17951.0655 0.0000 0.0000 34398.2172 -149168.2815 300.4082 -183566.4987 -149072.2673 299.2100 43.2414 75.0403 558161.0321 14.3071 14.3248 PRESSURE: 2343000 116.353 89.9741 65.6091 89.9762 106.835 149.479 65.6085 149.478 -10.211 GPRESSURE: 2343000 147.36 63.1828 120.466 65.0752 159.614 155.928 9.27592 137.028 4.5705 PRESSAVG: 2343000 -13.5597 21.529 -24.6615 21.529 10.8018 -9.5232 -24.6614 -9.5233 4.48239 GPRESSAVG: 2343000 -13.8326 19.0714 -24.8999 23.9083 11.8827 -8.92968 -24.4461 -8.91435 4.06445 TIMING: 2343000 CPU: 6790.49, 0.00288038/step Wall: 6790.49, 0.00288038/step, 2.12588 hours remaining, 209.308594 MB of memory in use. ENERGY: 2343000 750.6097 2027.6657 1975.6433 118.6744 -206372.0046 17980.0863 0.0000 0.0000 34314.5458 -149204.7793 299.6775 -183519.3251 -149111.5955 299.7695 70.9925 103.8481 558412.1120 0.5748 0.7049 PRESSURE: 2343200 -46.1743 -67.3326 -174.873 -67.3329 230.999 -133.753 -174.873 -133.754 -286.208 GPRESSURE: 2343200 -4.87378 -156.15 -105.923 16.8312 242.637 -182.423 -157.945 -193.792 -231.289 PRESSAVG: 2343200 24.6603 -32.8311 19.7491 -32.8311 -13.2639 -73.5559 19.7491 -73.5559 -31.0515 GPRESSAVG: 2343200 24.8656 -29.3072 20.3352 -33.4744 -13.5711 -76.7222 17.9079 -73.7534 -30.9153 TIMING: 2343200 CPU: 6791.07, 0.00289425/step Wall: 6791.07, 0.00289425/step, 2.13596 hours remaining, 209.308594 MB of memory in use. ENERGY: 2343200 768.9176 2063.9595 1961.1498 116.4591 -206740.7493 18176.3488 0.0000 0.0000 34310.3023 -149343.6123 299.6404 -183653.9146 -149251.8209 298.9450 -33.7945 2.1582 559189.3389 -6.5517 -6.5403 PRESSURE: 2343400 -105.135 107.59 30.6181 107.59 171.205 -21.0561 30.618 -21.0583 126.725 GPRESSURE: 2343400 -53.0406 77.7209 41.2927 91.3392 176.894 -92.0021 -4.4985 -40.4541 160.122 PRESSAVG: 2343400 -34.1527 -38.499 -8.12773 -38.4991 64.1527 -17.1749 -8.12768 -17.1751 -63.7512 GPRESSAVG: 2343400 -32.8835 -39.7281 -8.10616 -38.8281 63.0528 -15.8952 -7.35513 -16.2397 -63.4607 TIMING: 2343400 CPU: 6791.65, 0.0028874/step Wall: 6791.65, 0.0028874/step, 2.13074 hours remaining, 209.308594 MB of memory in use. ENERGY: 2343400 755.0708 2035.3714 1971.6758 124.4561 -206297.4532 17922.8347 0.0000 0.0000 34160.2154 -149327.8290 298.3297 -183488.0444 -149240.1853 299.3569 64.2650 94.6584 558605.4090 -11.2504 -11.0971 PRESSURE: 2343600 -70.8769 -5.25462 -44.5945 -5.25322 99.5437 -69.8126 -44.5953 -69.8137 -39.0443 GPRESSURE: 2343600 -79.7224 -85.441 -39.1208 -11.4285 164.897 -13.852 -85.3971 -19.6552 -3.05614 PRESSAVG: 2343600 -15.1991 -4.69995 18.7356 -4.69992 30.1229 1.95662 18.7356 1.95656 -8.77733 GPRESSAVG: 2343600 -15.7717 -6.85711 19.3135 -6.07821 30.7165 1.44925 18.715 0.0890443 -9.47971 TIMING: 2343600 CPU: 6792.22, 0.0028743/step Wall: 6792.22, 0.0028743/step, 2.12091 hours remaining, 209.308594 MB of memory in use. ENERGY: 2343600 736.8589 2069.4432 1968.1953 106.4880 -205941.3614 17739.9445 0.0000 0.0000 34253.8182 -149066.6133 299.1471 -183320.4316 -148970.8550 298.8454 -3.4591 27.3729 557809.2340 2.0488 1.8217 PRESSURE: 2343800 14.1271 97.9551 189.524 97.9568 113.264 1.95784 189.523 1.9569 48.8442 GPRESSURE: 2343800 49.2307 188.118 153.887 -30.75 172.989 10.7571 204.718 -34.1783 42.044 PRESSAVG: 2343800 -13.3388 59.5624 -6.65945 59.5624 55.8895 -14.9286 -6.65951 -14.9286 -63.9132 GPRESSAVG: 2343800 -14.4673 61.8902 -7.35325 59.571 56.6643 -16.6169 -7.9378 -11.3526 -63.686 TIMING: 2343800 CPU: 6792.8, 0.00288342/step Wall: 6792.8, 0.00288342/step, 2.12748 hours remaining, 209.308594 MB of memory in use. ENERGY: 2343800 766.2219 2053.8292 1991.1384 113.6292 -206442.7493 18031.0159 0.0000 0.0000 34297.7889 -149189.1258 299.5311 -183486.9147 -149093.4720 298.9578 58.7450 88.0879 556537.4176 -7.1208 -7.1630 PRESSURE: 2344000 -107.297 54.5414 45.0395 54.5403 -322.425 40.4191 45.0382 40.4177 -175.802 GPRESSURE: 2344000 -110.605 32.0943 22.5406 26.4102 -287.08 92.758 113.898 -0.248319 -105.719 PRESSAVG: 2344000 -43.8407 -33.0678 -9.01066 -33.0679 -20.1695 10.1569 -9.01064 10.1569 30.1062 GPRESSAVG: 2344000 -43.3784 -34.6388 -9.14571 -31.6016 -22.0763 14.1731 -8.62851 6.3846 31.493 TIMING: 2344000 CPU: 6793.37, 0.00287308/step Wall: 6793.37, 0.00287308/step, 2.11969 hours remaining, 209.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2344000 749.0138 2138.1861 1969.2297 107.8724 -205760.8506 17491.4699 0.0000 0.0000 34235.4139 -149069.6649 298.9864 -183305.0787 -148977.0231 299.0334 -201.8412 -167.8014 557669.9473 -11.3013 -11.3205 PRESSURE: 2344200 -44.4243 118.605 -103.672 118.606 83.557 -14.5527 -103.671 -14.5533 36.8147 GPRESSURE: 2344200 50.0602 86.4833 -127.38 146.224 100.69 -42.108 -120.156 13.7248 20.9679 PRESSAVG: 2344200 -27.1741 -35.3582 -29.4943 -35.3583 35.9897 -29.4356 -29.4943 -29.4357 -34.6272 GPRESSAVG: 2344200 -27.1913 -34.0353 -27.9864 -35.7158 36.2997 -29.4609 -28.7117 -25.417 -35.1626 TIMING: 2344200 CPU: 6793.94, 0.00285426/step Wall: 6793.94, 0.00285426/step, 2.10565 hours remaining, 209.308594 MB of memory in use. ENERGY: 2344200 724.8489 2072.2069 1960.2070 105.8928 -206181.3367 17839.5121 0.0000 0.0000 34335.5051 -149143.1639 299.8605 -183478.6690 -149041.6701 299.5233 25.3158 57.2394 557798.6583 -8.6039 -8.6847 LDB: ============= START OF LOAD BALANCING ============== 6797.33 LDB: ============== END OF LOAD BALANCING =============== 6797.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6797.33 LDB: ============= START OF LOAD BALANCING ============== 6797.62 LDB: Largest compute 4820 load 0.026693 is 22.6% of average load 0.117919 LDB: Average compute 0.001757 is 1.5% of average load 0.117919 LDB: TIME 6797.62 LOAD: AVG 0.117919 MAX 0.178549 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.359 MB LDB: TIME 6797.62 LOAD: AVG 0.117919 MAX 0.178549 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.559 MB LDB: TIME 6797.62 LOAD: AVG 0.117919 MAX 0.178549 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.559 MB LDB: ============== END OF LOAD BALANCING =============== 6797.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6797.63 PRESSURE: 2344400 272.562 -76.5058 1.28583 -76.5064 170.941 -114.079 1.28483 -114.079 -68.1839 GPRESSURE: 2344400 252.697 -11.9833 -71.6951 47.6059 177.131 -162.811 82.7707 -18.3248 59.8051 PRESSAVG: 2344400 -31.7517 6.13165 -18.7845 6.13155 36.5949 -22.2897 -18.7845 -22.2897 16.9318 GPRESSAVG: 2344400 -32.4155 5.61668 -19.8007 6.57115 37.208 -24.7895 -19.9341 -23.8518 17.0731 TIMING: 2344400 CPU: 6794.53, 0.00293335/step Wall: 6794.53, 0.00293335/step, 2.16384 hours remaining, 207.968750 MB of memory in use. ENERGY: 2344400 719.2587 2062.4453 1936.4912 120.2634 -206229.4912 17947.5391 0.0000 0.0000 34279.2468 -149164.2467 299.3692 -183443.4935 -149064.1357 298.8171 125.1066 163.2107 557027.0843 7.2584 7.2885 PRESSURE: 2344600 -228.313 -42.5379 -11.1017 -42.5366 -164.463 -38.211 -11.103 -38.2114 284.162 GPRESSURE: 2344600 -176.174 -70.5505 45.5514 -21.9168 -133.669 -139.854 -18.7713 -107.745 305.162 PRESSAVG: 2344600 -18.6065 48.1477 2.22539 48.1477 23.3472 7.34847 2.22537 7.34852 23.2499 GPRESSAVG: 2344600 -18.7203 49.3109 2.21696 46.9581 23.483 8.57049 5.43851 6.20042 22.5968 TIMING: 2344600 CPU: 6795.11, 0.00287265/step Wall: 6795.11, 0.00287265/step, 2.1189 hours remaining, 207.968750 MB of memory in use. ENERGY: 2344600 756.9445 2104.9880 1953.6341 127.5569 -206092.4126 17831.2381 0.0000 0.0000 34210.8175 -149107.2336 298.7716 -183318.0510 -149015.5302 298.8540 -36.2046 -1.5601 558169.1058 9.3302 9.1199 PRESSURE: 2344800 -121.316 1.84669 -14.8591 1.84743 197.943 -50.1979 -14.8592 -50.1966 151.833 GPRESSURE: 2344800 -87.4761 40.1856 66.2646 -16.2221 183.528 43.2891 -46.7767 -76.1839 227.04 PRESSAVG: 2344800 -27.629 -1.68979 -9.40295 -1.68981 -39.6415 -35.7487 -9.40289 -35.7486 65.033 GPRESSAVG: 2344800 -26.082 0.470268 -7.65213 -2.68021 -41.0567 -34.6829 -12.069 -34.6489 64.7704 TIMING: 2344800 CPU: 6795.68, 0.00286443/step Wall: 6795.68, 0.00286443/step, 2.11268 hours remaining, 207.968750 MB of memory in use. ENERGY: 2344800 733.2790 2069.5648 1957.4410 118.2172 -206299.6164 17856.2233 0.0000 0.0000 34498.0813 -149066.8097 301.2803 -183564.8910 -148965.3419 299.0386 76.1532 107.6973 556955.8670 -0.7458 -0.7894 PRESSURE: 2345000 -191.026 -77.9161 -102.233 -77.9159 -50.7074 20.7453 -102.233 20.7461 -109.602 GPRESSURE: 2345000 -127.354 -81.9722 -58.6853 -131.64 -48.2456 69.0606 -143.862 18.4876 -67.5571 PRESSAVG: 2345000 -48.2388 1.11157 11.7319 1.11151 -19.3496 12.7427 11.732 12.7428 2.23185 GPRESSAVG: 2345000 -49.5166 -3.01413 8.85584 2.15345 -18.8151 14.3906 13.9837 12.0858 3.05038 TIMING: 2345000 CPU: 6796.25, 0.00287091/step Wall: 6796.25, 0.00287091/step, 2.1173 hours remaining, 207.968750 MB of memory in use. ENERGY: 2345000 769.5424 2061.1345 1968.4812 126.4267 -206076.4654 17761.6787 0.0000 0.0000 34437.3460 -148951.8560 300.7499 -183389.2020 -148855.2342 299.6722 -117.1118 -81.0521 558143.8863 -21.7855 -21.7605 PRESSURE: 2345200 101.054 -127.536 59.9984 -127.536 147.243 17.6132 59.9967 17.6132 257.348 GPRESSURE: 2345200 118.143 -67.6083 18.8433 -170.091 177.213 34.3801 53.5205 27.9695 309.867 PRESSAVG: 2345200 -7.08576 -27.9966 47.7772 -27.9966 61.5652 -22.1587 47.7773 -22.1586 -31.1163 GPRESSAVG: 2345200 -5.54164 -25.2994 47.6467 -28.9581 60.6871 -22.7959 46.9869 -22.047 -31.5468 TIMING: 2345200 CPU: 6796.83, 0.00289367/step Wall: 6796.83, 0.00289367/step, 2.13392 hours remaining, 207.968750 MB of memory in use. ENERGY: 2345200 740.3943 2081.3495 1941.4371 121.8168 -206237.7316 18128.0892 0.0000 0.0000 34205.4073 -149019.2374 298.7243 -183224.6447 -148915.6623 300.5100 168.5484 201.7409 558144.2118 7.7877 7.8662 PRESSURE: 2345400 -339.288 118.538 -110.754 118.538 -138.772 -96.3003 -110.754 -96.3012 -292.714 GPRESSURE: 2345400 -337.033 46.1878 9.11369 131.893 -75.057 -110.812 -141.894 -146.546 -275.313 PRESSAVG: 2345400 -29.6405 26.639 54.5578 26.639 18.1302 -62.4891 54.5578 -62.4891 14.6693 GPRESSAVG: 2345400 -31.2152 24.3212 55.7715 28.0721 18.9514 -62.424 52.4153 -61.3176 15.4613 TIMING: 2345400 CPU: 6797.41, 0.00288941/step Wall: 6797.41, 0.00288941/step, 2.13062 hours remaining, 207.968750 MB of memory in use. ENERGY: 2345400 747.7039 2063.3113 1941.5813 114.1267 -206021.0078 17541.8502 0.0000 0.0000 34390.1011 -149222.3333 300.3373 -183612.4344 -149125.8441 299.9679 -256.9244 -229.1343 559463.2691 1.0530 1.0658 PRESSURE: 2345600 -393.756 146.872 -21.8363 146.872 162.984 44.9863 -21.8366 44.9853 -309.347 GPRESSURE: 2345600 -344.207 188.985 -67.3107 120.238 130.746 6.44231 -4.25919 -25.2638 -218.644 PRESSAVG: 2345600 -80.295 33.6577 8.50398 33.6577 49.6714 -16.263 8.50391 -16.2631 -2.83253 GPRESSAVG: 2345600 -79.5834 31.9427 8.25366 33.9106 49.5852 -16.5275 11.2499 -18.154 -3.38813 TIMING: 2345600 CPU: 6797.98, 0.00287894/step Wall: 6797.98, 0.00287894/step, 2.12274 hours remaining, 207.968750 MB of memory in use. ENERGY: 2345600 753.1672 2131.3618 1966.1632 128.2469 -206124.3192 17613.5714 0.0000 0.0000 34266.2943 -149265.5144 299.2561 -183531.8087 -149166.7274 299.0385 -180.0400 -144.0352 557440.5420 -11.1520 -11.1288 PRESSURE: 2345800 167.437 36.6038 4.72865 36.6042 -91.9799 85.1626 4.72862 85.1626 303.314 GPRESSURE: 2345800 171.737 77.0045 -31.3882 24.0883 7.15238 102.991 34.1183 15.4392 287.578 PRESSAVG: 2345800 -31.2089 -25.0351 17.742 -25.035 34.6515 40.7029 17.7419 40.7029 12.5014 GPRESSAVG: 2345800 -30.7859 -22.3694 18.4887 -26.2323 34.7239 40.6896 18.101 40.9214 11.5343 TIMING: 2345800 CPU: 6798.56, 0.00286889/step Wall: 6798.56, 0.00286889/step, 2.11517 hours remaining, 207.968750 MB of memory in use. ENERGY: 2345800 724.0897 2144.0413 1924.5235 109.5573 -206619.3365 18019.1567 0.0000 0.0000 34241.0182 -149456.9498 299.0353 -183697.9680 -149357.6060 299.1252 126.2572 155.4893 555817.2786 5.3146 5.1574 PRESSURE: 2346000 -96.7522 82.1244 -29.7749 82.1238 -388.544 -58.2111 -29.7751 -58.213 -133.463 GPRESSURE: 2346000 -64.4493 70.1091 25.5363 9.47166 -313.826 -32.1876 -31.5435 -99.507 -141.879 PRESSAVG: 2346000 32.4201 14.0771 -5.63493 14.0772 48.4488 25.3988 -5.63498 25.3987 -51.9205 GPRESSAVG: 2346000 32.5105 13.8376 -7.30407 14.6032 48.3334 25.5014 -6.48139 25.0363 -52.0438 TIMING: 2346000 CPU: 6799.14, 0.00288918/step Wall: 6799.14, 0.00288918/step, 2.12997 hours remaining, 207.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2346000 759.3569 2091.5024 1953.9830 106.1761 -205998.6753 17545.6084 0.0000 0.0000 34085.4444 -149456.6040 297.6767 -183542.0484 -149358.8413 298.8016 -206.2530 -173.3849 558234.8740 9.6495 9.6000 PRESSURE: 2346200 8.73968 -34.7145 6.40755 -34.7151 -328.375 55.0029 6.40663 55.0028 -246.481 GPRESSURE: 2346200 -4.00361 -105.235 -8.89288 81.2267 -306.746 11.6249 32.3148 -78.9967 -157.533 PRESSAVG: 2346200 61.5764 -41.2162 -8.68061 -41.2161 -108.788 -47.9445 -8.68059 -47.9445 8.35333 GPRESSAVG: 2346200 62.2266 -40.7896 -7.25764 -41.4982 -109.71 -50.7886 -9.17169 -46.0867 8.08405 TIMING: 2346200 CPU: 6799.71, 0.00287755/step Wall: 6799.71, 0.00287755/step, 2.12124 hours remaining, 207.968750 MB of memory in use. ENERGY: 2346200 771.1798 2061.8196 1945.8298 113.3547 -206160.2989 17556.4735 0.0000 0.0000 34392.3152 -149319.3263 300.3566 -183711.6415 -149234.1028 298.7929 -188.7054 -156.0941 556851.8804 -12.9526 -13.1333 PRESSURE: 2346400 41.8912 164.78 -19.3289 164.78 -106.149 -103.745 -19.3295 -103.746 12.192 GPRESSURE: 2346400 82.8097 88.9842 12.4241 181.538 -110.153 -73.9909 62.3131 -36.3191 86.2371 PRESSAVG: 2346400 17.5298 13.4694 45.2236 13.4693 -64.1197 28.9006 45.2235 28.9007 40.8504 GPRESSAVG: 2346400 15.8686 13.428 45.5306 12.6772 -62.7063 32.3811 43.3547 27.3503 41.0263 TIMING: 2346400 CPU: 6800.29, 0.00288634/step Wall: 6800.29, 0.00288634/step, 2.12755 hours remaining, 207.968750 MB of memory in use. ENERGY: 2346400 744.2123 2127.6000 1972.4484 120.2807 -206528.8125 17926.9170 0.0000 0.0000 34260.4920 -149376.8619 299.2054 -183637.3539 -149292.3676 299.1710 -17.3553 19.6313 556499.5580 -1.9132 -1.9371 PRESSURE: 2346600 -39.2476 70.3876 -18.3843 70.3873 -547.217 114.075 -18.3846 114.075 123.36 GPRESSURE: 2346600 -8.35434 94.8862 -107.397 -26.1854 -538.849 93.1291 -13.5183 4.51651 176.255 PRESSAVG: 2346600 49.5738 23.6847 -8.2868 23.6847 -105.457 -38.8041 -8.28678 -38.8041 47.7626 GPRESSAVG: 2346600 49.7926 24.6511 -8.60291 23.3564 -106.387 -40.7201 -5.77612 -38.9617 47.5842 TIMING: 2346600 CPU: 6800.87, 0.00288411/step Wall: 6800.87, 0.00288411/step, 2.12575 hours remaining, 207.968750 MB of memory in use. ENERGY: 2346600 774.1369 2006.4389 1930.6567 110.9049 -206401.6504 17817.5393 0.0000 0.0000 34366.9328 -149395.0408 300.1350 -183761.9737 -149299.4592 299.2201 -154.3681 -123.6495 557488.7821 -2.7070 -3.0033 PRESSURE: 2346800 -114.448 -37.3936 -214.29 -37.3924 -43.1304 26.8121 -214.291 26.8135 -69.721 GPRESSURE: 2346800 -39.8905 -42.6854 -124.61 -60.0654 -70.191 33.959 -202.016 55.7988 -16.3293 PRESSAVG: 2346800 66.8852 -31.9454 -52.7845 -31.9454 -98.9753 -9.28841 -52.7845 -9.28848 -9.57925 GPRESSAVG: 2346800 68.082 -32.0332 -52.6944 -30.7605 -100.294 -10.0976 -54.198 -8.68125 -10.6476 TIMING: 2346800 CPU: 6801.44, 0.00287789/step Wall: 6801.44, 0.00287789/step, 2.121 hours remaining, 207.968750 MB of memory in use. ENERGY: 2346800 706.5117 2134.1491 1963.5748 116.7011 -206237.8948 17726.5868 0.0000 0.0000 34167.9086 -149422.4628 298.3968 -183590.3714 -149324.8128 299.5304 -75.7664 -42.1369 556731.3666 -13.8898 -14.2866 PRESSURE: 2347000 -334.535 -171.849 -25.7836 -171.849 -216.316 164.087 -25.783 164.088 -189.085 GPRESSURE: 2347000 -356.522 -180.709 -40.5013 -241.012 -172.053 196.486 -78.6455 80.5911 -109.161 PRESSAVG: 2347000 47.1771 -15.7752 -11.7745 -15.7752 -79.7333 -2.02635 -11.7746 -2.0264 47.8255 GPRESSAVG: 2347000 45.5938 -16.1475 -11.4728 -15.415 -79.0243 -0.823395 -11.9996 -3.66164 48.7979 TIMING: 2347000 CPU: 6802.02, 0.00288933/step Wall: 6802.02, 0.00288933/step, 2.12928 hours remaining, 207.968750 MB of memory in use. ENERGY: 2347000 739.6436 2096.0702 1955.8130 108.5063 -205793.9624 17473.6433 0.0000 0.0000 34104.7530 -149315.5329 297.8453 -183420.2859 -149219.1713 298.9131 -246.6454 -212.5786 558114.8975 5.0898 5.1225 PRESSURE: 2347200 -101.06 -2.03176 203.273 -2.03 -104.844 12.9611 203.273 12.9621 -173.97 GPRESSURE: 2347200 -97.258 37.9877 277.665 -47.327 -91.8466 24.8305 123.333 28.4307 -93.3419 PRESSAVG: 2347200 23.1243 -41.4294 18.9596 -41.4293 0.305869 12.5017 18.9597 12.5019 -30.5726 GPRESSAVG: 2347200 23.5523 -40.671 18.2211 -43.1385 1.90324 13.1704 18.8661 12.2879 -32.4892 TIMING: 2347200 CPU: 6802.6, 0.00290892/step Wall: 6802.6, 0.00290892/step, 2.14355 hours remaining, 207.968750 MB of memory in use. ENERGY: 2347200 766.6833 2096.3759 1946.2442 110.1440 -206242.9691 17786.8727 0.0000 0.0000 34223.4017 -149313.2472 298.8815 -183536.6489 -149221.1350 299.2485 -126.6247 -94.1489 558183.4908 -2.3808 -2.3446 PRESSURE: 2347400 10.6872 55.8811 19.5924 55.8814 77.0079 -208.917 19.5923 -208.915 -223.469 GPRESSURE: 2347400 26.9562 -13.1555 22.3426 42.8344 80.8651 -144.46 -67.0477 -280.289 -162.554 PRESSAVG: 2347400 33.5239 -38.2811 -43.3976 -38.281 -13.8304 -44.3582 -43.3975 -44.3582 -12.7374 GPRESSAVG: 2347400 33.5058 -38.3482 -42.4448 -38.3003 -14.8126 -46.3589 -43.5655 -44.5928 -12.1486 TIMING: 2347400 CPU: 6803.18, 0.00291567/step Wall: 6803.18, 0.00291567/step, 2.14836 hours remaining, 207.968750 MB of memory in use. ENERGY: 2347400 737.7155 2069.0170 1983.8591 116.0445 -206188.4371 17789.2351 0.0000 0.0000 34081.7403 -149410.8256 297.6443 -183492.5659 -149316.2244 298.7227 -45.2580 -18.2443 557393.0800 2.3187 2.1815 PRESSURE: 2347600 63.1137 -92.5992 44.7741 -92.5999 136.482 -77.7737 44.7753 -77.7738 105.548 GPRESSURE: 2347600 73.3077 -60.713 43.1596 -68.5415 216.803 -81.1505 50.1605 -7.61285 114.515 PRESSAVG: 2347600 -1.30752 -16.4896 -18.0953 -16.4895 57.1426 15.792 -18.0953 15.7919 -33.4671 GPRESSAVG: 2347600 -1.19104 -16.8243 -18.9927 -16.095 56.6536 15.6604 -15.3576 16.5251 -33.5209 TIMING: 2347600 CPU: 6803.76, 0.00290004/step Wall: 6803.76, 0.00290004/step, 2.13669 hours remaining, 207.968750 MB of memory in use. ENERGY: 2347600 777.1690 2056.1731 1959.1002 119.7891 -206491.9592 17896.8472 0.0000 0.0000 34294.6179 -149388.2627 299.5034 -183682.8806 -149289.9203 298.7280 101.7147 134.8754 556289.7107 7.4560 7.3139 PRESSURE: 2347800 -204.879 153.268 46.2021 153.268 58.954 -91.1955 46.2023 -91.195 250.176 GPRESSURE: 2347800 -117.341 184.434 19.5817 166.531 69.4769 -20.2305 55.7244 -38.0445 245.505 PRESSAVG: 2347800 61.8994 -0.356651 -3.28451 -0.356526 -29.6189 -12.1653 -3.28454 -12.1653 -66.0956 GPRESSAVG: 2347800 63.0585 -0.0709338 -3.94901 0.362511 -30.3393 -11.4753 -4.88686 -12.2509 -66.4827 TIMING: 2347800 CPU: 6804.34, 0.00288457/step Wall: 6804.34, 0.00288457/step, 2.12513 hours remaining, 207.968750 MB of memory in use. ENERGY: 2347800 775.6876 2065.6718 1956.5210 110.3939 -206300.4968 17846.6619 0.0000 0.0000 34416.5157 -149129.0449 300.5680 -183545.5606 -149032.3526 300.1684 34.7502 65.8802 555360.8498 -11.2717 -11.2545 PRESSURE: 2348000 -46.2664 226.735 74.4145 226.734 165.012 51.5475 74.4149 51.5474 99.1853 GPRESSURE: 2348000 -34.4852 257.925 153.73 301.067 177.525 86.0718 206.169 35.2472 161.139 PRESSAVG: 2348000 16.5279 42.5015 14.3634 42.5016 34.4227 -6.0202 14.3633 -6.02027 -79.3157 GPRESSAVG: 2348000 15.001 40.6658 15.0342 42.2196 36.167 -4.17457 14.1499 -7.02882 -79.0676 TIMING: 2348000 CPU: 6804.92, 0.0029183/step Wall: 6804.92, 0.0029183/step, 2.14982 hours remaining, 207.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2348000 760.5905 2042.8562 1977.7979 122.0465 -206102.1819 17802.5632 0.0000 0.0000 34318.6395 -149077.6881 299.7132 -183396.3276 -148984.4333 299.5486 72.6438 101.3930 556753.9256 -9.4550 -9.2999 PRESSURE: 2348200 141.72 -68.8868 -119.833 -68.8864 23.935 161.342 -119.832 161.342 7.88451 GPRESSURE: 2348200 176.424 3.81374 -36.2764 -90.1258 45.3028 64.4334 -66.6599 270.949 56.1671 PRESSAVG: 2348200 36.1903 -2.21936 20.9374 -2.21925 64.9012 -6.94663 20.9375 -6.94666 -45.3289 GPRESSAVG: 2348200 36.2719 -0.733449 23.1526 -2.10974 63.9739 -7.24641 19.3942 -6.58742 -44.3669 TIMING: 2348200 CPU: 6805.5, 0.00288861/step Wall: 6805.5, 0.00288861/step, 2.12778 hours remaining, 207.968750 MB of memory in use. ENERGY: 2348200 764.6877 1996.5289 1952.9991 108.5828 -206096.2106 17950.8726 0.0000 0.0000 34202.6478 -149119.8917 298.7002 -183322.5395 -149020.1621 299.1921 57.8466 92.6312 557330.0541 18.5875 18.6263 LDB: ============= START OF LOAD BALANCING ============== 6808.89 LDB: ============== END OF LOAD BALANCING =============== 6808.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6808.89 LDB: ============= START OF LOAD BALANCING ============== 6809.18 LDB: Largest compute 4820 load 0.025572 is 21.7% of average load 0.117875 LDB: Average compute 0.001748 is 1.5% of average load 0.117875 LDB: TIME 6809.18 LOAD: AVG 0.117875 MAX 0.177958 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.051 MB LDB: TIME 6809.18 LOAD: AVG 0.117875 MAX 0.177958 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: TIME 6809.18 LOAD: AVG 0.117875 MAX 0.177958 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6809.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6809.18 PRESSURE: 2348400 33.4317 48.1771 0.598439 48.1776 -148.947 -29.8651 0.596024 -29.8669 -296.119 GPRESSURE: 2348400 27.3079 -27.7822 -22.3956 30.5685 -117.107 -49.4791 -21.5977 -39.4729 -222.917 PRESSAVG: 2348400 24.3542 -39.4519 4.09288 -39.4519 6.69297 36.0475 4.09284 36.0475 -47.7224 GPRESSAVG: 2348400 25.9202 -40.9742 1.90519 -38.9716 5.28437 35.9503 5.26026 36.2678 -47.776 TIMING: 2348400 CPU: 6806.09, 0.00293117/step Wall: 6806.09, 0.00293117/step, 2.15897 hours remaining, 210.046875 MB of memory in use. ENERGY: 2348400 814.2161 2055.2718 1953.0140 103.6093 -206037.9408 17697.5730 0.0000 0.0000 34253.4706 -149160.7860 299.1441 -183414.2566 -149057.8622 299.3712 -137.2115 -104.2385 558007.3270 -5.5584 -5.5238 PRESSURE: 2348600 329.749 -59.2679 21.1213 -59.2673 -14.1231 62.8221 21.1211 62.8222 173.538 GPRESSURE: 2348600 323.689 -130.167 39.7136 -28.6 78.741 39.4635 -26.4973 74.74 198.634 PRESSAVG: 2348600 -10.9517 -38.1575 -19.8404 -38.1575 -25.1738 24.7271 -19.8403 24.7272 35.7737 GPRESSAVG: 2348600 -12.0192 -39.3992 -20.1296 -38.5404 -23.4358 24.2525 -19.6086 24.2065 35.3859 TIMING: 2348600 CPU: 6806.67, 0.00289478/step Wall: 6806.67, 0.00289478/step, 2.132 hours remaining, 210.046875 MB of memory in use. ENERGY: 2348600 737.1317 2061.6361 1953.3291 113.6326 -206478.0722 18070.7125 0.0000 0.0000 34237.7152 -149303.9150 299.0065 -183541.6302 -149217.1223 299.7309 163.0547 200.3546 555437.3220 -0.1173 -0.0231 PRESSURE: 2348800 215.942 -196.222 118.133 -196.222 61.6965 28.4855 118.134 28.4848 83.1108 GPRESSURE: 2348800 186.472 -165.128 171.148 -218.652 106.066 -58.4029 40.943 24.8675 161.916 PRESSAVG: 2348800 89.5818 -25.3823 -12.9961 -25.3823 -46.4132 -42.3544 -12.996 -42.3545 -20.8804 GPRESSAVG: 2348800 88.5523 -25.2156 -9.52304 -25.2692 -45.3899 -42.325 -14.9125 -40.5348 -21.7721 TIMING: 2348800 CPU: 6807.25, 0.00288764/step Wall: 6807.25, 0.00288764/step, 2.12659 hours remaining, 210.046875 MB of memory in use. ENERGY: 2348800 736.5775 2040.6389 1971.7388 114.6036 -206327.9572 17747.9219 0.0000 0.0000 34371.8074 -149344.6692 300.1775 -183716.4766 -149249.4376 299.2387 120.2499 151.4844 555189.4871 7.4294 7.1301 PRESSURE: 2349000 408 16.0716 -57.4101 16.0721 92.5751 40.2506 -57.4112 40.2497 156.881 GPRESSURE: 2349000 460.714 -54.9983 -30.7869 14.3094 128.904 -11.033 88.5606 20.2506 166.589 PRESSAVG: 2349000 46.9982 -52.2803 -55.5018 -52.2803 -66.8845 -18.4084 -55.5017 -18.4083 -3.44192 GPRESSAVG: 2349000 47.1086 -51.3533 -56.6016 -53.6337 -68.5739 -18.958 -54.2874 -17.2821 -1.68226 TIMING: 2349000 CPU: 6807.83, 0.00290311/step Wall: 6807.83, 0.00290311/step, 2.13782 hours remaining, 210.046875 MB of memory in use. ENERGY: 2349000 718.1328 2071.2173 1943.1196 115.6131 -206422.9020 18055.9549 0.0000 0.0000 34166.6181 -149352.2463 298.3856 -183518.8644 -149254.3726 298.9422 219.1519 252.0689 557017.2490 -7.7761 -7.7158 PRESSURE: 2349200 10.0853 85.1597 -296.759 85.1596 57.5907 -57.9248 -296.76 -57.9245 -57.8561 GPRESSURE: 2349200 39.5635 -77.7292 -305.665 28.3764 66.2943 -37.1417 -263.914 -30.5511 -3.15031 PRESSAVG: 2349200 -15.9135 -34.339 -61.6298 -34.3389 10.6043 -57.3551 -61.6299 -57.3553 56.7911 GPRESSAVG: 2349200 -14.803 -35.7678 -62.8542 -31.8111 10.1828 -56.0843 -61.5497 -59.8527 56.3277 TIMING: 2349200 CPU: 6808.4, 0.00287763/step Wall: 6808.4, 0.00287763/step, 2.11889 hours remaining, 210.046875 MB of memory in use. ENERGY: 2349200 761.0572 2124.0719 1946.9345 104.5774 -206131.6879 17860.8275 0.0000 0.0000 34063.6150 -149270.6044 297.4860 -183334.2194 -149178.1492 298.6591 3.2733 34.2358 556815.7368 17.1606 17.2358 PRESSURE: 2349400 222.758 131.883 23.7324 131.882 184.907 -20.191 23.7339 -20.1894 115.587 GPRESSURE: 2349400 243.284 105.066 -11.8572 146.785 194.905 -47.9539 29.3966 -38.6252 196.263 PRESSAVG: 2349400 -43.8612 9.76225 4.48476 9.76226 65.685 26.1715 4.48489 26.1717 27.8727 GPRESSAVG: 2349400 -44.5626 10.6562 4.02958 8.37183 66.507 27.3367 5.77179 27.0858 28.1735 TIMING: 2349400 CPU: 6808.98, 0.00289355/step Wall: 6808.98, 0.00289355/step, 2.13046 hours remaining, 210.250000 MB of memory in use. ENERGY: 2349400 770.4284 2063.4695 1980.0212 111.2120 -206563.7607 17975.2663 0.0000 0.0000 34296.1525 -149367.2108 299.5168 -183663.3633 -149267.8855 299.1030 174.4173 211.4841 555675.6007 16.5655 16.7060 PRESSURE: 2349600 -145.007 53.0736 -120.214 53.0734 -7.15086 -84.7712 -120.213 -84.7717 3.80287 GPRESSURE: 2349600 -162.859 81.4751 -89.7464 -31.4522 29.2903 62.878 -89.656 -139.243 75.3834 PRESSAVG: 2349600 -83.5096 48.2257 2.33935 48.2257 18.1505 52.0263 2.3393 52.0263 34.095 GPRESSAVG: 2349600 -83.1566 45.8281 3.35374 47.3627 18.0156 51.4332 1.48424 52.0117 33.8442 TIMING: 2349600 CPU: 6809.55, 0.00286798/step Wall: 6809.55, 0.00286798/step, 2.11147 hours remaining, 210.250000 MB of memory in use. ENERGY: 2349600 780.1722 2106.2227 1960.5452 124.3334 -206530.3810 17977.2633 0.0000 0.0000 34205.5377 -149376.3067 298.7255 -183581.8443 -149284.6961 298.8077 -49.4517 -19.3951 557059.6817 -10.4214 -10.4323 PRESSURE: 2349800 -66.929 -19.1327 -104.079 -19.1337 14.6019 74.0372 -104.078 74.0377 -442.157 GPRESSURE: 2349800 -95.7895 -82.6351 -66.5423 36.1973 79.5937 133.873 -53.4384 -11.3133 -373.656 PRESSAVG: 2349800 -32.3104 -29.2784 -20.0512 -29.2784 35.7667 10.2357 -20.0511 10.2357 10.2655 GPRESSAVG: 2349800 -31.8126 -26.9162 -22.1778 -27.712 36.8484 8.64458 -19.545 10.8178 8.91181 TIMING: 2349800 CPU: 6810.13, 0.00288873/step Wall: 6810.13, 0.00288873/step, 2.12659 hours remaining, 210.250000 MB of memory in use. ENERGY: 2349800 755.4053 2075.2172 1959.9041 114.5187 -205971.4362 17544.5436 0.0000 0.0000 34285.7978 -149236.0495 299.4264 -183521.8473 -149138.2970 299.0140 -164.8282 -129.9506 557403.4882 4.5739 4.6492 PRESSURE: 2350000 224.409 95.757 136.891 95.7592 -22.4429 -52.8469 136.89 -52.8469 216.745 GPRESSURE: 2350000 250.984 100.122 117.385 1.19161 -31.3003 -67.4247 126.152 -68.2668 293.109 PRESSAVG: 2350000 25.7333 33.2402 -33.2837 33.2402 -49.3469 10.2894 -33.2837 10.2893 8.80021 GPRESSAVG: 2350000 25.9659 33.653 -31.1718 33.4742 -50.5585 10.3099 -34.7062 10.2021 9.81337 TIMING: 2350000 CPU: 6810.71, 0.00288869/step Wall: 6810.71, 0.00288869/step, 2.1264 hours remaining, 210.250000 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: 2350000 733.1553 2040.2782 1956.8469 107.5413 -206113.0455 17924.2368 0.0000 0.0000 34271.7168 -149079.2702 299.3034 -183350.9870 -148983.8764 299.6551 139.5705 170.9307 557971.6251 -4.9378 -4.9264 PRESSURE: 2350200 -112.283 -34.5901 -279.622 -34.592 -229.626 -20.7221 -279.623 -20.7209 -145.94 GPRESSURE: 2350200 -124.385 -62.083 -282.633 5.49493 -218.79 -94.1133 -211.682 37.5953 -58.6343 PRESSAVG: 2350200 46.2709 33.3372 -48.7399 33.3371 -53.8156 36.761 -48.7398 36.761 16.6844 GPRESSAVG: 2350200 46.508 34.4686 -49.2227 32.5689 -53.2435 34.7574 -47.8674 37.069 16.1032 TIMING: 2350200 CPU: 6811.28, 0.00287625/step Wall: 6811.28, 0.00287625/step, 2.11708 hours remaining, 210.250000 MB of memory in use. ENERGY: 2350200 759.7498 2122.0691 1966.7857 107.2252 -206087.2834 17584.9759 0.0000 0.0000 34343.6332 -149202.8447 299.9315 -183546.4778 -149107.6336 299.4913 -162.6162 -133.9367 558709.0714 3.0466 3.1226 PRESSURE: 2350400 -49.4019 18.62 -132.547 18.6198 -373.082 81.7189 -132.549 81.7197 -6.52202 GPRESSURE: 2350400 9.28068 23.4062 -202.946 -6.89838 -373.112 24.3194 -84.157 67.366 32.8389 PRESSAVG: 2350400 25.1946 10.9668 -32.2218 10.9668 -67.3779 -4.81628 -32.2217 -4.81613 69.4165 GPRESSAVG: 2350400 25.3747 7.64454 -32.6916 11.5819 -67.7165 0.125595 -31.9587 -5.86575 69.6353 TIMING: 2350400 CPU: 6811.86, 0.00286465/step Wall: 6811.86, 0.00286465/step, 2.10838 hours remaining, 210.250000 MB of memory in use. ENERGY: 2350400 777.4090 2120.2405 1952.2214 128.6383 -205707.4861 17492.3879 0.0000 0.0000 34106.4804 -149130.1085 297.8604 -183236.5889 -149024.4082 299.3599 -143.0021 -110.3307 559034.7385 9.0777 9.0978 PRESSURE: 2350600 23.9507 -36.8594 42.7552 -36.8585 -132.249 -154.256 42.7553 -154.255 -14.2628 GPRESSURE: 2350600 23.2797 -144.805 66.4204 -18.0052 -60.8204 -97.7868 88.4247 -185.232 3.25757 PRESSAVG: 2350600 15.1306 52.5324 -66.0944 52.5324 -28.7494 -25.5215 -66.0943 -25.5214 65.7033 GPRESSAVG: 2350600 14.2007 55.2834 -64.793 52.0164 -28.3899 -27.9917 -66.2106 -25.3099 66.5487 TIMING: 2350600 CPU: 6812.43, 0.00288825/step Wall: 6812.43, 0.00288825/step, 2.12559 hours remaining, 210.250000 MB of memory in use. ENERGY: 2350600 744.0014 2123.9706 1973.5147 113.1376 -206190.1350 17703.9786 0.0000 0.0000 34173.0260 -149358.5062 298.4415 -183531.5321 -149258.7795 299.6937 -40.8538 -11.4277 557196.8669 17.3615 17.4532 PRESSURE: 2350800 -53.8586 -161.658 -161.422 -161.657 -98.0051 -46.1213 -161.422 -46.1217 -336.399 GPRESSURE: 2350800 -90.8559 -203.715 -103.026 -86.2948 -54.5969 39.2764 -210.247 -77.1551 -238.976 PRESSAVG: 2350800 -39.7089 -78.167 -3.01282 -78.167 -26.2086 -24.9228 -3.01279 -24.9227 20.2824 GPRESSAVG: 2350800 -39.8407 -80.3983 -4.17543 -77.358 -26.0962 -23.9455 -1.32022 -25.4077 20.2822 TIMING: 2350800 CPU: 6813.01, 0.00287944/step Wall: 6813.01, 0.00287944/step, 2.11895 hours remaining, 210.250000 MB of memory in use. ENERGY: 2350800 790.5282 2093.8280 1944.9166 107.2739 -206493.5236 17801.8582 0.0000 0.0000 34371.1069 -149384.0119 300.1714 -183755.1187 -149284.5666 298.6413 -162.7543 -128.1431 558169.6097 -15.2117 -15.2183 PRESSURE: 2351000 -212.201 -21.1328 -131.109 -21.1327 -338.192 11.5355 -131.109 11.5353 267.781 GPRESSURE: 2351000 -145.823 -46.0068 -137.397 -20.3777 -298.812 19.3124 -136.629 15.8183 255.286 PRESSAVG: 2351000 -27.0572 -13.1532 9.51937 -13.1532 14.8939 22.8195 9.51936 22.8196 25.6557 GPRESSAVG: 2351000 -25.2759 -11.8605 9.46988 -13.9283 13.1359 22.4178 8.61353 21.9997 25.5675 TIMING: 2351000 CPU: 6813.58, 0.00285426/step Wall: 6813.58, 0.00285426/step, 2.10026 hours remaining, 210.250000 MB of memory in use. ENERGY: 2351000 733.2152 2055.7794 1960.5018 113.9673 -206085.2559 17589.6093 0.0000 0.0000 34204.6173 -149427.5656 298.7174 -183632.1829 -149324.3435 298.2810 -94.2041 -63.1160 558382.8467 4.4975 4.4758 PRESSURE: 2351200 -86.5499 -1.06211 -64.6143 -1.06228 227.783 10.7857 -64.6141 10.786 47.734 GPRESSURE: 2351200 -19.9378 28.3049 -121.364 -29.6253 209.531 38.7974 -38.4801 -11.4335 92.6421 PRESSAVG: 2351200 -18.5976 46.8539 22.1475 46.854 35.0161 -17.7923 22.1476 -17.7922 -10.9357 GPRESSAVG: 2351200 -19.3352 47.7236 23.9456 44.4588 35.8685 -18.9642 20.7751 -14.8431 -10.7483 TIMING: 2351200 CPU: 6814.16, 0.00287696/step Wall: 6814.16, 0.00287696/step, 2.1168 hours remaining, 210.250000 MB of memory in use. ENERGY: 2351200 727.4004 2085.5463 1953.0831 103.7651 -206428.9297 17889.6330 0.0000 0.0000 34187.9434 -149481.5583 298.5718 -183669.5018 -149390.4004 299.0308 62.9890 94.0785 558041.3287 1.8276 1.9284 PRESSURE: 2351400 -69.2253 -95.8848 -103.945 -95.8835 52.3118 80.5952 -103.945 80.5942 -31.6818 GPRESSURE: 2351400 -80.3225 -110.772 -191.171 -108.656 119.614 125.966 -69.9411 150.755 10.5406 PRESSAVG: 2351400 -77.9544 -6.31651 -31.2137 -6.31647 86.6491 -21.7627 -31.2137 -21.7628 1.73329 GPRESSAVG: 2351400 -77.9742 -5.88654 -33.3595 -5.60966 86.224 -20.1531 -30.5076 -22.5545 2.22873 TIMING: 2351400 CPU: 6814.73, 0.00287548/step Wall: 6814.73, 0.00287548/step, 2.11555 hours remaining, 210.250000 MB of memory in use. ENERGY: 2351400 733.8049 2099.1041 1954.2153 107.4122 -206477.6146 17814.4090 0.0000 0.0000 33988.7597 -149779.9093 296.8323 -183768.6690 -149683.4353 297.6715 -16.1985 16.6106 557429.6360 3.4760 3.4929 PRESSURE: 2351600 64.4492 113.445 81.4091 113.446 -31.5908 127.474 81.4095 127.474 32.6644 GPRESSURE: 2351600 149.394 134.229 74.9822 86.9141 -38.0366 125.912 148.341 58.1942 62.4491 PRESSAVG: 2351600 9.90839 13.5216 23.9907 13.5216 78.0985 -46.8589 23.9906 -46.8589 -89.833 GPRESSAVG: 2351600 10.0343 11.4516 25.8754 15.3235 77.9307 -47.6151 24.025 -49.2647 -90.1042 TIMING: 2351600 CPU: 6815.31, 0.00286493/step Wall: 6815.31, 0.00286493/step, 2.10764 hours remaining, 210.250000 MB of memory in use. ENERGY: 2351600 748.6336 2019.3029 1948.1378 116.4380 -206678.0391 18010.7597 0.0000 0.0000 34103.6056 -149731.1617 297.8353 -183834.7672 -149633.5021 297.4211 21.8409 57.9355 556464.6928 -0.6087 -0.7131 PRESSURE: 2351800 171.758 -175.931 -0.272202 -175.931 -97.5829 147.094 -0.272991 147.095 -342.337 GPRESSURE: 2351800 172.157 -149.787 -0.667928 -203.6 -30.0836 124.204 21.5462 265.269 -310.337 PRESSAVG: 2351800 57.799 -18.5064 27.2592 -18.5064 17.5713 45.112 27.2592 45.112 -66.6984 GPRESSAVG: 2351800 58.0167 -17.5793 26.4222 -17.3494 16.6916 45.0142 27.0786 47.7101 -65.6444 TIMING: 2351800 CPU: 6815.88, 0.0028638/step Wall: 6815.88, 0.0028638/step, 2.10664 hours remaining, 210.250000 MB of memory in use. ENERGY: 2351800 724.8595 2068.1642 1938.0148 117.8847 -206386.9433 17779.7230 0.0000 0.0000 34157.4982 -149600.7988 298.3059 -183758.2970 -149500.5602 297.7108 -89.3874 -56.0881 557070.1328 2.8906 3.0213 PRESSURE: 2352000 -75.4733 120.532 -72.5274 120.531 61.8891 123.815 -72.5274 123.816 67.9701 GPRESSURE: 2352000 5.29211 52.1875 -158.598 122.805 75.1975 168.798 -91.4051 83.8919 87.0584 PRESSAVG: 2352000 16.0399 20.1048 39.2038 20.1047 47.4871 -26.4984 39.2038 -26.4982 -40.0563 GPRESSAVG: 2352000 17.0777 20.5126 38.2076 18.5835 47.5069 -27.0846 40.3739 -26.6821 -40.7088 TIMING: 2352000 CPU: 6816.45, 0.0028817/step Wall: 6816.45, 0.0028817/step, 2.11965 hours remaining, 210.250000 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: 2352000 739.8226 2000.8089 1935.8145 113.1787 -206439.1250 17771.8829 0.0000 0.0000 34445.6237 -149431.9938 300.8222 -183877.6174 -149330.1632 298.3532 18.1286 55.8493 555734.9844 7.8236 7.9586 PRESSURE: 2352200 75.3285 226.906 41.6648 226.904 72.2182 -97.3129 41.6643 -97.3132 -81.0956 GPRESSURE: 2352200 74.9318 256.898 -18.1691 177.937 130.262 -143.066 -2.45292 -39.0953 -34.0779 PRESSAVG: 2352200 45.8043 6.99065 1.60774 6.99056 16.0387 15.8919 1.60771 15.8917 -44.9759 GPRESSAVG: 2352200 44.4891 7.49569 1.52822 4.7711 15.7541 15.4204 0.685459 15.8762 -44.5093 TIMING: 2352200 CPU: 6817.03, 0.00288147/step Wall: 6817.03, 0.00288147/step, 2.11932 hours remaining, 210.250000 MB of memory in use. ENERGY: 2352200 757.3854 2027.1939 1946.8821 107.7416 -206494.3200 17949.7325 0.0000 0.0000 34194.0933 -149511.2912 298.6255 -183705.3845 -149412.4359 298.8202 22.1504 57.0386 556744.0813 5.6224 5.2446 LDB: ============= START OF LOAD BALANCING ============== 6820.41 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6820.41 LDB: =============== DONE WITH MIGRATION ================ 6820.42 LDB: ============= START OF LOAD BALANCING ============== 6820.71 LDB: Largest compute 4820 load 0.026127 is 22.2% of average load 0.117938 LDB: Average compute 0.001756 is 1.5% of average load 0.117938 LDB: TIME 6820.71 LOAD: AVG 0.117938 MAX 0.179167 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.695 MB LDB: TIME 6820.71 LOAD: AVG 0.117938 MAX 0.179167 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.695 MB LDB: TIME 6820.71 LOAD: AVG 0.117938 MAX 0.179167 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.695 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6820.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6820.71 PRESSURE: 2352400 -26.6333 30.4932 131.366 30.4941 -140.553 -8.91615 131.366 -8.91582 189.68 GPRESSURE: 2352400 29.7024 76.9906 74.832 24.9218 -105.195 -87.4822 47.2286 -12.394 205.802 PRESSAVG: 2352400 46.8947 22.7399 14.9255 22.7398 -38.3998 -13.1863 14.9254 -13.1863 11.9967 GPRESSAVG: 2352400 47.054 21.5847 15.6539 24.8761 -37.0318 -13.4307 17.3527 -13.3538 10.4867 TIMING: 2352400 CPU: 6817.62, 0.00294159/step Wall: 6817.62, 0.00294159/step, 2.16338 hours remaining, 209.425781 MB of memory in use. ENERGY: 2352400 766.0657 2054.5175 1963.2531 113.5257 -206714.6827 18006.3740 0.0000 0.0000 34149.6311 -149661.3157 298.2372 -183810.9468 -149578.0235 298.9400 7.4981 43.4365 557249.6256 6.8306 6.8363 PRESSURE: 2352600 -150.492 -141.496 -83.5794 -141.496 -16.0653 -130.083 -83.5789 -130.084 -67.5277 GPRESSURE: 2352600 -122.939 -164.443 -102.615 -79.9319 50.8492 -140.659 -91.5714 -44.3944 -73.854 PRESSAVG: 2352600 -20.7828 -13.2378 -4.02867 -13.2378 34.833 -21.6485 -4.0287 -21.6484 17.7385 GPRESSAVG: 2352600 -20.5095 -12.1853 -3.14035 -14.3706 34.7486 -20.5464 -5.44698 -22.1768 16.8846 TIMING: 2352600 CPU: 6818.19, 0.00287406/step Wall: 6818.19, 0.00287406/step, 2.11355 hours remaining, 209.425781 MB of memory in use. ENERGY: 2352600 746.0360 2070.3898 1966.6054 118.8826 -206527.1805 17909.1880 0.0000 0.0000 34078.9047 -149637.1740 297.6196 -183716.0787 -149537.6139 298.3769 -78.0284 -48.6479 558644.9526 10.5962 10.3745 PRESSURE: 2352800 69.3095 49.5001 46.9349 49.4991 -18.5927 -98.8108 46.9349 -98.8111 114.599 GPRESSURE: 2352800 93.6563 76.5427 17.6863 -33.9005 31.5241 -135.103 -24.1498 -57.8592 138.133 PRESSAVG: 2352800 46.2184 -1.19401 -0.824718 -1.19404 -53.0831 -2.3415 -0.824699 -2.34144 17.1035 GPRESSAVG: 2352800 46.1305 -1.91135 0.23357 -2.1063 -53.8505 -5.15409 -2.28216 -0.801635 17.9912 TIMING: 2352800 CPU: 6818.77, 0.00287498/step Wall: 6818.77, 0.00287498/step, 2.11407 hours remaining, 209.425781 MB of memory in use. ENERGY: 2352800 755.2568 2051.4536 1945.0934 118.1539 -206512.0408 17906.5985 0.0000 0.0000 34184.7743 -149550.7102 298.5441 -183735.4846 -149460.7758 298.2881 55.1052 87.7710 556520.4663 3.4129 3.4237 PRESSURE: 2353000 -38.0996 -14.7465 277.392 -14.7471 -260.203 45.6254 277.394 45.625 72.2547 GPRESSURE: 2353000 25.6952 -43.8737 289.933 45.9174 -253.029 122.48 179.254 18.7828 111.593 PRESSAVG: 2353000 24.2778 -1.775 20.8583 -1.77504 -26.0556 -33.5324 20.8584 -33.5324 7.22456 GPRESSAVG: 2353000 24.8707 -1.29343 17.6125 -0.948362 -25.6384 -30.5858 21.164 -33.5868 6.27267 TIMING: 2353000 CPU: 6819.34, 0.00288167/step Wall: 6819.34, 0.00288166/step, 2.11882 hours remaining, 209.425781 MB of memory in use. ENERGY: 2353000 768.4572 2069.7154 1964.1750 114.5646 -206272.4311 17714.5890 0.0000 0.0000 34108.3272 -149532.6026 297.8765 -183640.9298 -149435.8341 298.0709 -75.3493 -38.5801 556300.6074 1.8156 1.8350 PRESSURE: 2353200 -152.29 -143.275 96.6136 -143.275 -218.142 -36.8693 96.6147 -36.8671 -268.294 GPRESSURE: 2353200 -154.211 -166.963 71.3167 -100.881 -196.898 -28.7698 96.7232 -94.4944 -192.997 PRESSAVG: 2353200 -26.5315 7.58276 9.50758 7.58284 15.974 -13.0901 9.50754 -13.09 -8.57118 GPRESSAVG: 2353200 -26.9628 6.70761 12.045 9.22084 14.7281 -13.7054 6.95357 -14.2461 -7.5696 TIMING: 2353200 CPU: 6819.92, 0.00288731/step Wall: 6819.92, 0.00288731/step, 2.12282 hours remaining, 209.425781 MB of memory in use. ENERGY: 2353200 700.4510 2014.8151 2002.8501 103.0167 -206093.4020 17543.2558 0.0000 0.0000 34315.4659 -149413.5475 299.6855 -183729.0133 -149313.6947 298.1569 -212.9086 -181.3687 557712.4222 -6.3762 -6.6014 PRESSURE: 2353400 3.85239 -121.673 26.6096 -121.672 42.495 82.7425 26.6098 82.7427 -3.63978 GPRESSURE: 2353400 23.8194 -60.2101 40.5667 -138.404 145.893 28.8366 14.8804 113.222 -23.5522 PRESSAVG: 2353400 26.586 13.8275 19.7827 13.8276 24.7873 -23.3665 19.7827 -23.3665 -78.4219 GPRESSAVG: 2353400 26.7 12.0383 17.6361 14.7701 24.727 -24.1649 23.3429 -22.2737 -78.046 TIMING: 2353400 CPU: 6820.5, 0.00289428/step Wall: 6820.5, 0.00289428/step, 2.12778 hours remaining, 209.425781 MB of memory in use. ENERGY: 2353400 723.3955 2114.5034 1938.1567 118.4450 -206186.8451 17851.8090 0.0000 0.0000 34262.8506 -149177.6849 299.2260 -183440.5355 -149079.8928 299.7577 14.2359 48.7200 556564.1189 -9.0162 -8.8730 PRESSURE: 2353600 -5.0591 108.825 24.9229 108.827 -144.518 -3.51556 24.9235 -3.51645 97.8539 GPRESSURE: 2353600 -10.4403 167.848 91.4312 -6.48968 -68.2534 21.218 -3.80076 -5.08729 110.5 PRESSAVG: 2353600 37.6629 -6.21729 31.8433 -6.21724 -23.2952 8.92043 31.8432 8.92039 0.525239 GPRESSAVG: 2353600 38.0881 -6.03171 32.2967 -8.89242 -23.1119 10.3095 30.4577 8.90322 0.0912753 TIMING: 2353600 CPU: 6821.08, 0.00288668/step Wall: 6821.08, 0.00288668/step, 2.12203 hours remaining, 209.425781 MB of memory in use. ENERGY: 2353600 787.6118 2037.0606 1970.0376 111.6231 -206160.8925 17673.2668 0.0000 0.0000 34407.5731 -149173.7194 300.4899 -183581.2925 -149074.2624 299.5312 -17.2410 10.6022 555422.2248 4.9643 5.0225 PRESSURE: 2353800 -74.1547 88.5741 -60.738 88.5741 -66.3432 -53.6515 -60.7375 -53.6485 280.965 GPRESSURE: 2353800 5.9979 114.575 -168.904 94.5341 -19.28 -23.3278 -69.0378 -112.11 257.348 PRESSAVG: 2353800 0.568301 58.5435 -54.1456 58.5435 -13.5413 -26.6038 -54.1456 -26.6037 18.8393 GPRESSAVG: 2353800 0.761223 60.2696 -52.9223 60.7849 -12.6441 -27.9796 -54.6255 -26.58 18.0212 TIMING: 2353800 CPU: 6821.66, 0.002887/step Wall: 6821.66, 0.002887/step, 2.1221 hours remaining, 209.425781 MB of memory in use. ENERGY: 2353800 753.6190 2072.3880 1966.8613 107.4470 -206153.6707 17818.5341 0.0000 0.0000 34185.1705 -149249.6509 298.5476 -183434.8214 -149161.1808 299.1961 46.8223 81.3553 557328.9895 1.9554 2.0461 PRESSURE: 2354000 136.603 -177.668 159.812 -177.668 -146.013 -46.0023 159.812 -46.0054 106.96 GPRESSURE: 2354000 144.624 -130.49 126.194 -181.015 -114.748 -35.433 226.534 -88.4781 158.926 PRESSAVG: 2354000 -31.5741 58.4956 -19.5261 58.4956 44.4053 -15.1621 -19.5261 -15.1621 -17.8901 GPRESSAVG: 2354000 -32.0321 58.213 -20.636 57.1576 44.4015 -11.7107 -19.0988 -16.3153 -17.3248 TIMING: 2354000 CPU: 6822.24, 0.00290162/step Wall: 6822.24, 0.00290162/step, 2.13269 hours remaining, 209.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2354000 745.5329 2062.7523 1942.7025 124.6822 -206077.1303 17751.4177 0.0000 0.0000 34125.0644 -149324.9783 298.0227 -183450.0428 -149228.2551 299.0756 32.5169 62.9339 557929.0657 -1.6863 -1.6518 PRESSURE: 2354200 -16.0326 -4.24734 -32.3559 -4.24763 136.561 103.824 -32.3557 103.823 90.5677 GPRESSURE: 2354200 61.9643 -31.0336 -0.686477 -46.8633 109.689 -6.44658 -63.1361 93.7069 138.278 PRESSAVG: 2354200 18.4172 -7.08372 26.379 -7.08375 -39.0038 47.2954 26.379 47.2954 -4.22168 GPRESSAVG: 2354200 19.3173 -8.24742 26.8025 -6.05623 -39.9609 44.6989 26.2052 46.4744 -3.6666 TIMING: 2354200 CPU: 6822.82, 0.00290499/step Wall: 6822.82, 0.00290499/step, 2.13501 hours remaining, 209.425781 MB of memory in use. ENERGY: 2354200 720.8927 2099.5439 1951.4425 115.7175 -206223.8458 17964.1769 0.0000 0.0000 34326.6185 -149045.4539 299.7829 -183372.0724 -148951.8518 298.6895 70.3654 103.3103 556899.1008 -8.2694 -8.1034 PRESSURE: 2354400 -249.624 -35.0692 -35.4595 -35.0693 183.251 -47.1403 -35.4598 -47.1399 99.8586 GPRESSURE: 2354400 -186.544 -43.5723 -38.0425 25.6048 180.345 45.1314 -75.6193 -15.0981 125.057 PRESSAVG: 2354400 -55.55 -2.76881 -61.9155 -2.76877 9.85972 30.5952 -61.9155 30.5952 30.8525 GPRESSAVG: 2354400 -55.1762 -2.89248 -61.983 -2.84814 10.9645 30.6342 -62.0527 31.3552 29.6089 TIMING: 2354400 CPU: 6823.4, 0.00290892/step Wall: 6823.4, 0.00290892/step, 2.13773 hours remaining, 209.425781 MB of memory in use. ENERGY: 2354400 750.5063 2093.8877 1936.1086 108.8759 -206194.7294 17785.7455 0.0000 0.0000 34393.5487 -149126.0566 300.3674 -183519.6053 -149028.8624 299.6295 11.1619 39.6194 557419.2657 -4.9459 -4.8676 PRESSURE: 2354600 -359.347 63.6421 54.5406 63.6425 -353.23 100.114 54.542 100.113 -125.42 GPRESSURE: 2354600 -349.428 26.1511 45.1071 76.4982 -269.51 61.4457 -24.8089 87.9023 -110.274 PRESSAVG: 2354600 -65.0684 13.7508 -50.592 13.7508 37.6293 -2.8202 -50.5921 -2.8202 81.6737 GPRESSAVG: 2354600 -65.4051 17.156 -50.0128 12.5111 36.6623 -2.73843 -49.699 -1.18501 83.0555 TIMING: 2354600 CPU: 6823.98, 0.00289511/step Wall: 6823.98, 0.00289511/step, 2.12742 hours remaining, 209.425781 MB of memory in use. ENERGY: 2354600 741.3974 2067.7025 1956.1163 122.8297 -205597.2555 17366.5881 0.0000 0.0000 34101.8856 -149240.7357 297.8202 -183342.6214 -149136.6150 299.6124 -279.3324 -243.0708 558507.9220 18.0782 18.1042 PRESSURE: 2354800 -42.7996 -44.986 45.0524 -44.9846 -209.538 60.8626 45.0523 60.8632 -236.443 GPRESSURE: 2354800 -32.9163 -121.734 159.244 -90.0125 -90.7462 -8.88579 -104.414 168.756 -266.056 PRESSAVG: 2354800 -38.8014 35.4163 -23.1638 35.4163 36.7667 30.7431 -23.1639 30.7431 -28.5047 GPRESSAVG: 2354800 -39.0309 31.1298 -22.0579 37.5303 36.929 30.7502 -24.2159 30.8501 -28.32 TIMING: 2354800 CPU: 6824.55, 0.00288381/step Wall: 6824.55, 0.00288381/step, 2.11896 hours remaining, 209.425781 MB of memory in use. ENERGY: 2354800 769.4210 2073.5599 1949.5533 108.3996 -205877.6296 17592.1040 0.0000 0.0000 34136.3717 -149248.2201 298.1214 -183384.5918 -149149.2687 299.0696 -162.9271 -129.9063 557846.5086 -10.1798 -10.1406 PRESSURE: 2355000 -266.571 166.676 -95.3098 166.675 -68.7705 -179.484 -95.3104 -179.483 -146.926 GPRESSURE: 2355000 -217.384 114.713 -138.04 202.923 -67.2813 -186.999 -40.3836 -79.8397 -103.468 PRESSAVG: 2355000 -2.87965 31.7255 -16.0028 31.7254 70.0383 -15.0092 -16.0029 -15.0093 -23.0589 GPRESSAVG: 2355000 -2.67116 35.4307 -17.016 30.9713 68.2861 -15.1814 -16.8651 -15.665 -22.0379 TIMING: 2355000 CPU: 6825.13, 0.00288039/step Wall: 6825.13, 0.00288039/step, 2.11628 hours remaining, 209.425781 MB of memory in use. ENERGY: 2355000 788.5213 2078.2963 1938.3182 114.0775 -205781.9603 17715.6199 0.0000 0.0000 34061.4682 -149085.6589 297.4673 -183147.1271 -148990.5052 298.8187 -160.7558 -129.3776 558277.0012 14.6999 14.5257 PRESSURE: 2355200 1.9656 -58.83 10.7278 -58.8298 -168.551 128.607 10.7277 128.607 61.2182 GPRESSURE: 2355200 -9.33351 -50.3041 31.3336 -102.84 -145.408 187.686 -0.665667 93.5117 152.748 PRESSAVG: 2355200 -16.1266 21.6265 -23.5669 21.6265 -68.4019 39.1556 -23.5669 39.1556 76.2823 GPRESSAVG: 2355200 -16.2245 19.3244 -23.8996 21.3373 -67.858 39.6103 -21.3851 39.3142 75.5756 TIMING: 2355200 CPU: 6825.7, 0.00286963/step Wall: 6825.7, 0.00286963/step, 2.10822 hours remaining, 209.425781 MB of memory in use. ENERGY: 2355200 758.1381 2019.0814 1990.1107 115.0972 -205960.2478 17776.9874 0.0000 0.0000 34330.8908 -148969.9422 299.8202 -183300.8331 -148875.3412 299.2726 -35.1223 -0.6645 558451.5243 -2.7487 -2.8356 PRESSURE: 2355400 -280.766 -12.4146 33.9502 -12.4142 94.4733 -68.4394 33.9498 -68.4401 -151.479 GPRESSURE: 2355400 -288.786 11.593 94.6654 -53.5963 153.253 -121.646 47.2097 -20.0336 -101.076 PRESSAVG: 2355400 -20.2492 49.3254 10.3213 49.3254 37.6564 4.04821 10.3212 4.04825 -33.4158 GPRESSAVG: 2355400 -20.5231 48.6753 11.3426 47.8084 37.558 4.70334 10.0147 3.64539 -32.7499 TIMING: 2355400 CPU: 6826.28, 0.00287989/step Wall: 6826.28, 0.00287989/step, 2.1156 hours remaining, 209.425781 MB of memory in use. ENERGY: 2355400 726.1365 2107.9383 1972.0864 117.9792 -205820.1122 17677.4963 0.0000 0.0000 34098.7177 -149119.7577 297.7926 -183218.4754 -149027.7685 299.5240 -112.5904 -78.8696 557340.7645 -5.3362 -5.2383 PRESSURE: 2355600 179.143 140.629 68.4946 140.629 -59.1874 42.6323 68.4944 42.6311 124.788 GPRESSURE: 2355600 188.935 62.2234 27.5594 187.319 -54.3733 -48.3741 99.4617 89.3346 204.127 PRESSAVG: 2355600 -42.9413 40.0318 -17.6694 40.032 41.4739 -37.6869 -17.6693 -37.6869 14.8241 GPRESSAVG: 2355600 -42.9701 39.5518 -18.0948 40.7965 42.4832 -39.4595 -18.1307 -36.3146 13.6078 TIMING: 2355600 CPU: 6826.86, 0.00287895/step Wall: 6826.86, 0.00287895/step, 2.11475 hours remaining, 209.425781 MB of memory in use. ENERGY: 2355600 724.6224 2084.1778 1950.0395 116.7899 -206019.5563 17827.9254 0.0000 0.0000 34312.2012 -149003.8001 299.6570 -183316.0013 -148916.0476 299.4857 81.5812 112.8962 556918.9605 4.4522 4.3736 PRESSURE: 2355800 101.207 110.463 -263.105 110.464 184.33 -52.838 -263.105 -52.837 204.364 GPRESSURE: 2355800 82.1852 52.5061 -325.804 186.91 279.052 -29.1715 -305.542 -53.4538 228.019 PRESSAVG: 2355800 14.3195 6.36188 -1.82602 6.36177 30.5337 -3.10569 -1.82595 -3.10564 -16.1819 GPRESSAVG: 2355800 15.0236 8.14969 -0.479692 7.33646 28.7894 -3.06874 -1.29075 -3.76358 -15.3487 TIMING: 2355800 CPU: 6827.43, 0.00288901/step Wall: 6827.43, 0.00288901/step, 2.12198 hours remaining, 209.425781 MB of memory in use. ENERGY: 2355800 704.8441 2052.6371 1967.4867 121.5977 -206663.6829 18150.1742 0.0000 0.0000 34537.5838 -149129.3594 301.6253 -183666.9432 -149033.9061 299.4363 163.3002 196.4189 555826.8680 9.5571 9.4881 PRESSURE: 2356000 9.30402 -176.513 -94.8658 -176.514 178.741 124.057 -94.8645 124.057 121.293 GPRESSURE: 2356000 71.6239 -119.584 -94.0176 -232.356 162.379 54.1798 -60.8197 85.8672 184.889 PRESSAVG: 2356000 -44.1999 -27.6885 0.49291 -27.6886 55.5994 -34.4571 0.492933 -34.457 -37.6281 GPRESSAVG: 2356000 -44.7191 -28.7886 -1.34833 -27.1039 56.3257 -33.5181 0.76835 -35.444 -37.8568 TIMING: 2356000 CPU: 6828.01, 0.00287661/step Wall: 6828.01, 0.00287661/step, 2.11271 hours remaining, 209.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2356000 774.3250 2104.0596 1928.2650 110.3899 -205966.1358 17778.4306 0.0000 0.0000 34260.2383 -149010.4273 299.2032 -183270.6657 -148914.2828 299.4742 103.1129 139.6306 556137.3456 -8.7429 -8.7500 PRESSURE: 2356200 -31.3296 217.955 -241.271 217.955 27.2388 -5.68428 -241.272 -5.68456 138.807 GPRESSURE: 2356200 51.3837 158.213 -209.748 346.722 56.4269 58.0479 -262.069 -19.2927 125.131 PRESSAVG: 2356200 -40.0531 -9.80223 -11.6419 -9.80229 2.55412 -0.566237 -11.6419 -0.565971 64.5533 GPRESSAVG: 2356200 -39.7828 -11.2065 -9.44711 -11.0872 2.57423 -0.856737 -11.8714 0.882057 64.5791 TIMING: 2356200 CPU: 6828.59, 0.00287709/step Wall: 6828.59, 0.00287709/step, 2.1129 hours remaining, 209.425781 MB of memory in use. ENERGY: 2356200 745.0078 2050.2582 1956.3098 102.6436 -206067.8795 17824.1920 0.0000 0.0000 34497.8874 -148891.5807 301.2786 -183389.4681 -148791.4651 300.2748 44.9053 77.6470 557249.4210 9.0181 9.1235 LDB: ============= START OF LOAD BALANCING ============== 6831.97 LDB: ============== END OF LOAD BALANCING =============== 6831.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6831.97 LDB: ============= START OF LOAD BALANCING ============== 6832.26 LDB: Largest compute 4820 load 0.025974 is 22.0% of average load 0.117870 LDB: Average compute 0.001755 is 1.5% of average load 0.117870 LDB: TIME 6832.26 LOAD: AVG 0.11787 MAX 0.177411 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.715 MB LDB: TIME 6832.26 LOAD: AVG 0.11787 MAX 0.177411 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: TIME 6832.26 LOAD: AVG 0.11787 MAX 0.177411 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6832.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6832.27 PRESSURE: 2356400 184.785 -86.2172 66.7926 -86.2186 -43.2764 70.3422 66.7916 70.3428 83.2676 GPRESSURE: 2356400 226.418 -142.638 53.2382 -62.8818 -7.46142 102.051 121.76 96.395 90.2364 PRESSAVG: 2356400 -47.057 -3.71022 -60.3629 -3.71024 -36.4235 -25.0652 -60.3628 -25.0652 63.6081 GPRESSAVG: 2356400 -46.2028 -0.230796 -61.2343 -3.5151 -37.579 -23.0992 -62.1445 -27.4444 63.7615 TIMING: 2356400 CPU: 6829.17, 0.0029306/step Wall: 6829.17, 0.0029306/step, 2.15204 hours remaining, 209.425781 MB of memory in use. ENERGY: 2356400 731.5459 2119.2517 1965.5686 119.1113 -206155.4410 17935.8640 0.0000 0.0000 34285.1411 -148998.9584 299.4207 -183284.0995 -148900.4894 299.8736 74.9252 103.0644 557820.8512 -6.6241 -6.6734 PRESSURE: 2356600 -80.0158 83.573 83.3809 83.5736 91.9446 46.1827 83.3823 46.1826 -122.841 GPRESSURE: 2356600 -40.4035 62.0116 106.532 112.809 88.3092 35.6643 50.6171 38.8843 -52.7834 PRESSAVG: 2356600 -17.6616 -6.47065 3.1112 -6.4707 -47.8801 -54.9661 3.11119 -54.9661 68.7634 GPRESSAVG: 2356600 -17.5765 -7.19377 1.91967 -6.04585 -48.1451 -56.6742 5.93257 -55.7083 68.7192 TIMING: 2356600 CPU: 6829.75, 0.00287496/step Wall: 6829.75, 0.00287496/step, 2.11102 hours remaining, 209.625000 MB of memory in use. ENERGY: 2356600 765.9929 2100.8454 1958.9062 122.2644 -206042.3369 17740.0882 0.0000 0.0000 34443.2902 -148910.9497 300.8018 -183354.2399 -148813.5955 300.5404 -36.9708 -1.6259 557927.5825 1.0739 0.9992 PRESSURE: 2356800 -1.10093 -22.4079 43.5111 -22.4089 237.723 66.6985 43.5117 66.6968 0.505635 GPRESSURE: 2356800 98.7815 49.3125 58.8233 19.2544 251.625 32.6627 5.64314 12.2105 -15.1618 PRESSAVG: 2356800 -10.2303 24.66 -15.679 24.66 0.0691625 -25.8263 -15.679 -25.8262 -42.9424 GPRESSAVG: 2356800 -10.3091 23.0354 -15.3463 24.0073 0.555516 -26.7855 -16.8647 -23.5977 -42.7044 TIMING: 2356800 CPU: 6830.32, 0.0028857/step Wall: 6830.32, 0.0028857/step, 2.11874 hours remaining, 209.625000 MB of memory in use. ENERGY: 2356800 770.2720 2133.8757 1969.9763 118.8275 -206046.2816 17815.1908 0.0000 0.0000 34365.4658 -148872.6735 300.1222 -183238.1393 -148779.1040 300.5374 79.0426 111.7482 558357.3470 -17.7012 -17.4860 PRESSURE: 2357000 -27.0882 22.882 -26.8664 22.8803 -179.106 105.826 -26.8668 105.827 -171.473 GPRESSURE: 2357000 -27.8822 103.538 21.4353 12.0507 -158.039 33.0112 -28.746 180.631 -103.599 PRESSAVG: 2357000 -30.3408 12.4417 25.1795 12.4417 -6.68876 -22.0061 25.1795 -22.0062 46.9694 GPRESSAVG: 2357000 -30.7494 12.7441 23.1317 12.509 -6.42947 -22.5338 25.9269 -22.1884 46.5268 TIMING: 2357000 CPU: 6830.9, 0.00289786/step Wall: 6830.9, 0.00289786/step, 2.12751 hours remaining, 209.625000 MB of memory in use. ENERGY: 2357000 754.5107 2118.3776 1952.6659 119.9032 -205890.6095 17571.0718 0.0000 0.0000 34555.5830 -148818.4972 301.7825 -183374.0802 -148711.7790 300.3150 -125.8889 -96.5068 558395.0749 3.3133 3.1160 PRESSURE: 2357200 -183.286 73.3072 42.9806 73.3065 -278.851 -79.629 42.9798 -79.631 -301.147 GPRESSURE: 2357200 -118.074 106.292 78.8236 111.154 -300.022 -113.346 49.2776 -165.061 -260.018 PRESSAVG: 2357200 8.22782 23.384 24.587 23.3842 13.5975 -87.0361 24.587 -87.0361 9.42517 GPRESSAVG: 2357200 7.25258 24.3595 25.2135 22.221 13.6689 -85.6264 23.0413 -88.8828 9.97092 TIMING: 2357200 CPU: 6831.48, 0.00286526/step Wall: 6831.48, 0.00286526/step, 2.10342 hours remaining, 209.625000 MB of memory in use. ENERGY: 2357200 757.1014 2140.5360 1957.1519 108.1587 -205321.8458 17226.0896 0.0000 0.0000 34331.8091 -148800.9991 299.8282 -183132.8082 -148710.2166 300.0077 -254.4278 -226.0381 558131.8578 10.4168 10.2975 PRESSURE: 2357400 50.6109 155.819 -19.5343 155.82 -212.642 -35.3182 -19.5364 -35.3192 -39.0473 GPRESSURE: 2357400 69.9515 158.079 -59.518 148.016 -143.773 -44.6546 -56.5923 -36.3643 -28.4662 PRESSAVG: 2357400 37.3303 3.14659 17.1171 3.1466 -74.0021 -36.8422 17.1172 -36.8421 33.5137 GPRESSAVG: 2357400 37.7704 1.4486 19.1439 4.89094 -73.6388 -36.0376 17.5921 -35.2134 32.7364 TIMING: 2357400 CPU: 6832.05, 0.0028773/step Wall: 6832.05, 0.0028773/step, 2.1121 hours remaining, 209.625000 MB of memory in use. ENERGY: 2357400 765.1049 2109.0908 1947.8642 124.1004 -206046.7735 17873.3812 0.0000 0.0000 34355.0357 -148872.1963 300.0311 -183227.2320 -148780.8463 300.1650 -67.0261 -34.0958 558794.5720 -1.0527 -1.0440 PRESSURE: 2357600 -146.924 -123.485 55.6208 -123.486 -113.158 59.5275 55.6218 59.5286 27.5933 GPRESSURE: 2357600 -102.839 -163.382 109.689 -128.921 -67.1323 102.231 88.9762 55.566 22.2298 PRESSAVG: 2357600 10.754 -60.3456 39.2087 -60.3456 -52.3264 -54.1528 39.2087 -54.1529 55.6532 GPRESSAVG: 2357600 9.27454 -59.0877 37.6303 -62.1361 -52.1119 -55.5631 35.7569 -55.3566 56.5642 TIMING: 2357600 CPU: 6832.63, 0.00288073/step Wall: 6832.63, 0.00288073/step, 2.11446 hours remaining, 209.625000 MB of memory in use. ENERGY: 2357600 750.0708 2075.0056 1964.0959 107.6689 -205669.3940 17567.5492 0.0000 0.0000 34168.6395 -149036.3640 298.4032 -183205.0036 -148938.8215 300.3101 -77.4963 -49.2471 557722.9867 4.6936 4.5756 PRESSURE: 2357800 -103.223 19.8064 35.6836 19.8063 -280.413 -120.769 35.6843 -120.77 14.8962 GPRESSURE: 2357800 -65.4062 -4.86524 14.8808 115.01 -275.056 -131.866 42.3309 -218.519 74.3364 PRESSAVG: 2357800 -22.6837 51.6369 -0.502823 51.6369 -11.7126 25.7831 -0.502751 25.783 38.4732 GPRESSAVG: 2357800 -22.6015 51.8857 0.459301 53.6586 -11.6867 25.5213 2.44561 28.4354 38.5402 TIMING: 2357800 CPU: 6833.2, 0.00287466/step Wall: 6833.2, 0.00287466/step, 2.10984 hours remaining, 209.625000 MB of memory in use. ENERGY: 2357800 751.3876 2076.6297 1930.4243 116.8036 -205767.6344 17585.5936 0.0000 0.0000 34352.0043 -148954.7913 300.0046 -183306.7956 -148855.0366 299.8052 -122.9134 -88.7086 558597.7902 1.3589 1.4173 PRESSURE: 2358000 7.92459 103.815 0.352403 103.814 -224.391 -34.829 0.350084 -34.8283 -226.349 GPRESSURE: 2358000 31.8927 -33.7709 -41.7789 82.4455 -159.929 -140.724 115.272 78.8627 -218.856 PRESSAVG: 2358000 -63.2221 -8.23784 22.8975 -8.23779 12.2776 52.059 22.8975 52.059 40.336 GPRESSAVG: 2358000 -62.6155 -9.72284 21.3297 -8.50486 12.5362 53.1106 24.5365 47.6958 39.9067 TIMING: 2358000 CPU: 6833.78, 0.00288593/step Wall: 6833.78, 0.00288593/step, 2.11796 hours remaining, 209.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2358000 728.4754 2105.5920 1968.7590 110.0319 -205780.0470 17492.7361 0.0000 0.0000 34546.9516 -148827.5010 301.7071 -183374.4527 -148727.6705 300.5823 -147.6053 -115.6308 557440.0149 -3.5361 -3.3908 PRESSURE: 2358200 113.379 -132.699 -0.546695 -132.699 190.231 -116.535 -0.54647 -116.534 35.2724 GPRESSURE: 2358200 138.489 -195.89 37.6774 -80.4499 209.544 -44.4746 -4.19894 -122.022 84.7462 PRESSAVG: 2358200 3.10363 12.0893 -21.1895 12.0893 37.6453 -10.0688 -21.1895 -10.0688 -42.7296 GPRESSAVG: 2358200 3.1618 11.1011 -20.4278 10.1346 37.2981 -11.8794 -20.6927 -5.43072 -43.5014 TIMING: 2358200 CPU: 6834.36, 0.00288153/step Wall: 6834.36, 0.00288153/step, 2.11456 hours remaining, 209.625000 MB of memory in use. ENERGY: 2358200 786.5404 2072.6665 1930.1798 126.5593 -206172.7771 18065.5047 0.0000 0.0000 34202.0406 -148989.2859 298.6949 -183191.3265 -148896.9293 300.6023 112.9608 144.2598 556591.8617 -0.6602 -1.0138 PRESSURE: 2358400 55.1751 -11.3965 102.961 -11.3957 -41.3534 -66.5332 102.961 -66.5344 -123.875 GPRESSURE: 2358400 45.1975 59.2541 28.687 -29.407 26.92 -45.3189 111.642 -87.3435 -83.2948 PRESSAVG: 2358400 10.7779 -24.3073 -37.2672 -24.3072 24.9167 -3.9401 -37.2672 -3.93992 -46.8458 GPRESSAVG: 2358400 9.85522 -23.0641 -35.2952 -23.2181 24.9088 -2.54935 -38.4934 -7.08941 -45.9001 TIMING: 2358400 CPU: 6834.93, 0.00287921/step Wall: 6834.93, 0.00287921/step, 2.1127 hours remaining, 209.625000 MB of memory in use. ENERGY: 2358400 761.1898 2082.5552 1968.2447 128.5521 -206120.0792 17874.7299 0.0000 0.0000 34353.9703 -148950.8372 300.0218 -183304.8075 -148853.9702 300.0410 -36.6843 -3.7258 558928.1302 -3.7171 -3.7120 PRESSURE: 2358600 -72.0376 -31.3185 61.8957 -31.3186 -185.325 194.006 61.8958 194.006 296.736 GPRESSURE: 2358600 -35.7982 10.2736 99.4644 -55.0514 -124.717 161.871 -9.42635 171.113 291.421 PRESSAVG: 2358600 -22.2895 -7.26684 32.8391 -7.26687 -109.859 -5.36025 32.8391 -5.36026 56.7427 GPRESSAVG: 2358600 -21.2247 -5.31646 29.081 -9.07924 -110.088 -7.20729 34.2244 -4.05111 56.184 TIMING: 2358600 CPU: 6835.51, 0.00291212/step Wall: 6835.51, 0.00291212/step, 2.13668 hours remaining, 209.625000 MB of memory in use. ENERGY: 2358600 758.1706 2159.0203 1969.6934 108.3888 -206202.1152 17810.1808 0.0000 0.0000 34176.4811 -149220.1803 298.4717 -183396.6614 -149131.7898 299.0931 13.1242 43.6352 557060.1031 -25.1353 -25.0429 PRESSURE: 2358800 -16.0362 90.5448 -56.3297 90.5462 -178.166 10.4449 -56.3303 10.4454 -62.2365 GPRESSURE: 2358800 44.6106 101.934 -57.2327 89.5221 -150.826 -3.54949 -96.9409 55.0178 -47.5298 PRESSAVG: 2358800 0.103999 -23.0384 28.9738 -23.0383 7.14395 70.0191 28.9739 70.019 19.546 GPRESSAVG: 2358800 -0.680749 -23.7227 31.7391 -22.1087 7.33523 71.5752 28.3803 69.1577 19.9143 TIMING: 2358800 CPU: 6836.09, 0.00289382/step Wall: 6836.09, 0.00289382/step, 2.1231 hours remaining, 209.625000 MB of memory in use. ENERGY: 2358800 751.5634 2160.1197 1934.5589 113.9924 -206174.7036 17808.3899 0.0000 0.0000 34406.2397 -148999.8396 300.4782 -183406.0794 -148901.0089 299.6824 -85.4796 -51.2485 559145.9143 8.9313 8.8563 PRESSURE: 2359000 311.904 108.646 -159.854 108.646 97.6622 24.5802 -159.855 24.5774 -54.4779 GPRESSURE: 2359000 359.677 167.275 -65.4873 170.691 60.6518 175.17 -148.166 -110.493 36.2675 PRESSAVG: 2359000 53.8055 50.2476 31.4677 50.2475 -27.8166 75.6117 31.4677 75.6116 -0.0302838 GPRESSAVG: 2359000 54.3902 48.707 32.4275 52.4548 -28.4357 74.7427 31.9563 76.175 0.0475548 TIMING: 2359000 CPU: 6836.67, 0.00288949/step Wall: 6836.67, 0.00288949/step, 2.11977 hours remaining, 209.625000 MB of memory in use. ENERGY: 2359000 699.7599 2068.9246 1988.0415 124.1227 -206095.8407 17889.2982 0.0000 0.0000 34365.7950 -148959.8987 300.1250 -183325.6937 -148859.5553 299.8632 118.3628 152.1989 557859.9909 8.6528 8.6673 PRESSURE: 2359200 58.0171 109.515 -73.3503 109.514 -90.761 34.6557 -73.3502 34.6557 -199.877 GPRESSURE: 2359200 106.65 -0.472779 18.6618 150.103 -76.2114 -72.6984 -133.069 26.9737 -143.251 PRESSAVG: 2359200 71.4017 -19.9477 -76.761 -19.9477 18.2252 -23.5236 -76.761 -23.5236 -16.694 GPRESSAVG: 2359200 71.3638 -20.0686 -78.9624 -20.6427 18.1687 -22.0912 -76.749 -25.2995 -16.1155 TIMING: 2359200 CPU: 6837.25, 0.00291589/step Wall: 6837.25, 0.00291589/step, 2.13896 hours remaining, 209.625000 MB of memory in use. ENERGY: 2359200 764.7956 2087.7514 1948.3161 107.6812 -205871.6172 17551.3287 0.0000 0.0000 34360.0901 -149051.6541 300.0752 -183411.7442 -148954.5969 299.9570 -77.5402 -37.6039 558263.9463 24.3110 24.4723 PRESSURE: 2359400 -23.2336 91.03 95.2344 91.0304 -194.592 10.2424 95.2341 10.2407 207.728 GPRESSURE: 2359400 4.21084 134.504 154.428 114.446 -145.545 16.7965 58.5022 34.5258 232.623 PRESSAVG: 2359400 5.33518 -27.1545 -57.1373 -27.1545 -18.4063 -27.0433 -57.1373 -27.0433 -25.2173 GPRESSAVG: 2359400 5.51776 -27.6537 -55.0497 -27.6339 -18.6426 -28.3608 -57.4182 -24.794 -25.6635 TIMING: 2359400 CPU: 6837.83, 0.00289554/step Wall: 6837.83, 0.00289554/step, 2.12388 hours remaining, 209.625000 MB of memory in use. ENERGY: 2359400 719.9298 2136.0320 1950.8100 107.7172 -205922.3991 17708.7438 0.0000 0.0000 34153.8330 -149145.3333 298.2739 -183299.1663 -149055.0105 299.5809 -3.3659 30.4297 557188.4798 -12.7628 -12.9295 PRESSURE: 2359600 -388.341 41.5251 -28.7013 41.5253 -192.321 8.21765 -28.7017 8.2178 -68.2652 GPRESSURE: 2359600 -301.862 52.6961 -65.7203 -4.8903 -205.475 -32.4086 -55.8365 67.187 -41.6411 PRESSAVG: 2359600 -28.1403 51.2203 -6.18166 51.2203 -27.6507 25.75 -6.18158 25.7499 32.3892 GPRESSAVG: 2359600 -28.17 52.1704 -7.34929 50.3773 -28.7543 24.86 -8.65422 26.4314 32.8694 TIMING: 2359600 CPU: 6838.41, 0.00290205/step Wall: 6838.41, 0.00290205/step, 2.1285 hours remaining, 209.625000 MB of memory in use. ENERGY: 2359600 719.6164 2018.5313 1945.3648 106.4204 -205768.8676 17359.9775 0.0000 0.0000 34357.0307 -149261.9265 300.0485 -183618.9571 -149164.5919 299.6023 -216.3091 -182.9928 557419.4736 -7.8006 -8.0183 PRESSURE: 2359800 -83.672 -49.1861 -172.638 -49.1869 -120.94 -62.9343 -172.639 -62.9344 25.9759 GPRESSURE: 2359800 -16.5866 -79.555 -188.511 29.8865 -108.214 -64.5951 -138.801 -59.0125 30.4315 PRESSAVG: 2359800 -7.39895 11.2622 -26.1933 11.2623 -41.4923 27.4405 -26.1933 27.4405 19.0855 GPRESSAVG: 2359800 -7.4059 12.0864 -26.8586 11.7657 -39.9995 27.9292 -23.382 26.7886 17.782 TIMING: 2359800 CPU: 6838.99, 0.00290032/step Wall: 6838.99, 0.00290032/step, 2.12706 hours remaining, 209.625000 MB of memory in use. ENERGY: 2359800 779.6122 2062.4106 1947.2377 108.2492 -205988.1657 17617.1984 0.0000 0.0000 34329.2805 -149144.1772 299.8061 -183473.4577 -149034.3359 299.3979 -59.5454 -31.4563 556609.6070 -9.9352 -9.8745 PRESSURE: 2360000 112.306 -25.6557 -14.5987 -25.6556 290.889 138.595 -14.5984 138.595 150.785 GPRESSURE: 2360000 120.956 12.6037 -33.694 -11.1303 286.3 141.31 -80.7038 88.0078 249.236 PRESSAVG: 2360000 12.062 -15.093 17.4871 -15.093 24.2527 0.507384 17.4871 0.507467 -16.7687 GPRESSAVG: 2360000 12.5021 -15.5379 17.0991 -14.847 24.0954 2.16217 17.0416 -2.24835 -16.4553 TIMING: 2360000 CPU: 6839.57, 0.00289656/step Wall: 6839.57, 0.00289656/step, 2.12414 hours remaining, 209.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2360000 720.6573 2068.6239 1960.9396 111.3715 -206286.3121 17971.0466 0.0000 0.0000 34117.7548 -149335.9184 297.9588 -183453.6733 -149240.2872 299.5343 184.6600 218.8307 556430.6870 6.5153 6.7140 PRESSURE: 2360200 89.4554 68.0059 -178.836 68.0069 -162.888 44.9782 -178.835 44.9787 -133.779 GPRESSURE: 2360200 106.484 75.9502 -190.217 59.7829 -148.638 117.184 -213.709 57.1443 -71.6576 PRESSAVG: 2360200 20.3162 -34.1878 14.1402 -34.1878 16.7177 44.9234 14.1401 44.9234 -23.5741 GPRESSAVG: 2360200 20.1198 -32.4569 14.3173 -35.3448 17.2523 43.3676 14.3848 48.6056 -24.2467 TIMING: 2360200 CPU: 6840.15, 0.00288007/step Wall: 6840.15, 0.00288007/step, 2.11189 hours remaining, 209.625000 MB of memory in use. ENERGY: 2360200 765.4790 2098.8328 1924.3372 120.4056 -206251.4218 17694.4006 0.0000 0.0000 34248.9097 -149399.0569 299.1042 -183647.9666 -149301.6086 298.9799 -69.0705 -37.9372 556633.8213 4.4866 4.3751 LDB: ============= START OF LOAD BALANCING ============== 6843.54 LDB: ============== END OF LOAD BALANCING =============== 6843.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6843.54 LDB: ============= START OF LOAD BALANCING ============== 6843.83 LDB: Largest compute 4820 load 0.026880 is 22.8% of average load 0.117907 LDB: Average compute 0.001757 is 1.5% of average load 0.117907 LDB: TIME 6843.83 LOAD: AVG 0.117907 MAX 0.181714 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.914 MB LDB: TIME 6843.83 LOAD: AVG 0.117907 MAX 0.181714 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.914 MB LDB: TIME 6843.83 LOAD: AVG 0.117907 MAX 0.181714 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.914 MB LDB: ============== END OF LOAD BALANCING =============== 6843.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6843.84 PRESSURE: 2360400 -164.139 20.4513 -97.4275 20.4521 -109.469 41.4893 -97.4295 41.4899 106.904 GPRESSURE: 2360400 -161.925 91.1365 -56.4999 39.0395 -24.1842 97.3007 -87.1108 33.7501 111.51 PRESSAVG: 2360400 -52.3624 -12.817 -21.7949 -12.8169 40.8531 -18.0315 -21.7948 -18.0314 37.0217 GPRESSAVG: 2360400 -52.8952 -15.1242 -21.0856 -10.2286 40.3828 -16.6191 -21.1155 -20.2056 38.4747 TIMING: 2360400 CPU: 6840.74, 0.00296805/step Wall: 6840.74, 0.00296805/step, 2.17624 hours remaining, 210.261719 MB of memory in use. ENERGY: 2360400 722.8123 2077.0719 1941.1377 116.0602 -205934.2300 17634.2460 0.0000 0.0000 34093.9163 -149348.9856 297.7507 -183442.9019 -149253.9093 298.5598 -55.5678 -24.8664 558492.2759 8.5041 8.6541 PRESSURE: 2360600 -61.5516 36.5253 -211.199 36.5252 -18.9376 -220.514 -211.198 -220.514 -48.2363 GPRESSURE: 2360600 -5.53498 26.945 -172.278 33.7566 16.6344 -249.246 -171.228 -284.653 -34.1895 PRESSAVG: 2360600 -14.9906 -10.9413 -38.6425 -10.9412 -45.9681 -40.7752 -38.6426 -40.7753 60.2275 GPRESSAVG: 2360600 -14.1976 -12.8091 -35.3968 -11.7539 -46.0624 -42.1709 -42.1904 -42.0059 60.4632 TIMING: 2360600 CPU: 6841.33, 0.00292257/step Wall: 6841.33, 0.00292257/step, 2.14273 hours remaining, 210.261719 MB of memory in use. ENERGY: 2360600 753.2519 2045.6719 1938.4245 114.4677 -206066.9506 17658.3337 0.0000 0.0000 34248.9896 -149307.8113 299.1049 -183556.8009 -149203.3165 298.9414 -42.9085 -7.6967 558195.3290 -0.2437 0.0678 PRESSURE: 2360800 -346.707 163.878 8.4492 163.88 -142.269 -104 8.44872 -104 -359.258 GPRESSURE: 2360800 -276.46 136.654 -21.9283 105.99 -131.717 -81.5397 61.9177 -133.594 -347.173 PRESSAVG: 2360800 -60.6935 5.59973 -51.0602 5.59979 59.1942 -38.6821 -51.0602 -38.6822 35.1015 GPRESSAVG: 2360800 -62.5498 9.11513 -54.0991 3.84343 60.4641 -39.8576 -47.9507 -36.7639 35.4852 TIMING: 2360800 CPU: 6841.91, 0.0029093/step Wall: 6841.91, 0.0029093/step, 2.13284 hours remaining, 210.261719 MB of memory in use. ENERGY: 2360800 765.8669 2029.1747 1948.3484 120.0908 -205691.7878 17448.2926 0.0000 0.0000 34116.4829 -149263.5315 297.9477 -183380.0144 -149175.2604 298.6363 -282.7448 -251.7836 558835.7957 11.2007 11.1331 PRESSURE: 2361000 -140.348 120.399 -74.0203 120.399 -116.021 109.836 -74.0202 109.835 -257.21 GPRESSURE: 2361000 -95.38 50.8735 -42.946 98.599 -111.131 64.836 -90.3302 114.365 -214.066 PRESSAVG: 2361000 2.92396 -17.0318 9.73722 -17.0317 -19.1502 -17.8572 9.73716 -17.8571 -33.9646 GPRESSAVG: 2361000 4.41535 -16.6151 10.9695 -17.2797 -19.8154 -17.0135 9.82868 -17.831 -34.7431 TIMING: 2361000 CPU: 6842.49, 0.00289451/step Wall: 6842.49, 0.00289451/step, 2.12183 hours remaining, 210.261719 MB of memory in use. ENERGY: 2361000 786.3955 2072.8508 1929.3577 112.6936 -205808.6624 17610.6778 0.0000 0.0000 34030.3440 -149266.3430 297.1955 -183296.6870 -149168.5996 299.2358 -171.1930 -140.1923 558744.1730 -16.7303 -16.7144 PRESSURE: 2361200 -159.138 -81.4494 132.583 -81.4503 -69.2851 148.271 132.584 148.271 -243.233 GPRESSURE: 2361200 -93.6578 -69.1332 111.965 -106.604 -13.8297 173.332 141.375 163.959 -255.473 PRESSAVG: 2361200 -31.9647 -28.7813 -31.035 -28.7813 -10.2026 3.64036 -31.035 3.6404 14.078 GPRESSAVG: 2361200 -31.7633 -29.9862 -32.5551 -27.7641 -11.3711 6.0968 -31.7453 3.22462 15.3118 TIMING: 2361200 CPU: 6843.06, 0.00288181/step Wall: 6843.06, 0.00288181/step, 2.11237 hours remaining, 210.261719 MB of memory in use. ENERGY: 2361200 719.4068 2085.3283 1944.5011 107.3254 -205816.2289 17459.2796 0.0000 0.0000 34320.4226 -149179.9651 299.7288 -183500.3877 -149080.6306 299.3653 -157.2186 -120.9868 558572.6392 -9.3631 -9.2742 PRESSURE: 2361400 -101.319 -108.407 280.966 -108.407 118.115 77.9996 280.966 78.0004 55.4736 GPRESSURE: 2361400 -65.4075 -63.1908 238.181 -26.2826 154.719 63.1932 274.55 76.7202 80.4958 PRESSAVG: 2361400 -10.6124 -53.3016 21.3825 -53.3017 71.2041 -42.2307 21.3825 -42.2307 -92.5618 GPRESSAVG: 2361400 -9.59717 -53.0596 23.2553 -52.6847 71.9755 -43.3658 20.9535 -43.9333 -94.6252 TIMING: 2361400 CPU: 6843.64, 0.00289186/step Wall: 6843.64, 0.00289186/step, 2.11957 hours remaining, 210.261719 MB of memory in use. ENERGY: 2361400 732.9794 2040.6863 1952.5998 101.3740 -206249.8360 17770.0171 0.0000 0.0000 34264.6612 -149387.5182 299.2418 -183652.1794 -149293.0046 298.5601 24.0898 56.6023 557463.9947 -10.6567 -10.7490 PRESSURE: 2361600 -152.62 -114.071 88.7768 -114.072 -187.846 -102.114 88.7771 -102.114 -264.473 GPRESSURE: 2361600 -105.556 -95.7289 5.84099 -143.628 -192.287 -120.068 62.3831 -32.7086 -213.425 PRESSAVG: 2361600 -36.6904 -1.19895 -7.87697 -1.19893 68.5601 -58.0173 -7.87696 -58.0173 35.4997 GPRESSAVG: 2361600 -37.5657 -3.03782 -8.83015 -0.0403029 67.4688 -59.3525 -7.90072 -54.9801 37.1018 TIMING: 2361600 CPU: 6844.22, 0.00288735/step Wall: 6844.22, 0.00288735/step, 2.11611 hours remaining, 210.261719 MB of memory in use. ENERGY: 2361600 738.3801 2064.0251 1937.1833 113.6318 -206050.0530 17592.0339 0.0000 0.0000 34340.0746 -149264.7243 299.9004 -183604.7988 -149167.4644 299.0591 -201.6463 -170.4226 558545.9039 22.4565 22.3350 PRESSURE: 2361800 86.0317 -91.2805 -53.4163 -91.2804 -19.7374 -67.9807 -53.4161 -67.9812 41.9834 GPRESSURE: 2361800 99.2932 -145.904 -1.99465 -2.66882 30.4375 -24.6324 -49.4082 -71.977 78.3001 PRESSAVG: 2361800 32.0806 65.0796 -64.9274 65.0795 -3.06928 -28.5828 -64.9275 -28.5828 -37.2647 GPRESSAVG: 2361800 32.1518 65.6527 -64.5484 63.1716 -3.01427 -29.4406 -65.0975 -26.8103 -37.8005 TIMING: 2361800 CPU: 6844.8, 0.00287939/step Wall: 6844.8, 0.00287939/step, 2.11011 hours remaining, 210.261719 MB of memory in use. ENERGY: 2361800 750.0233 2048.0201 1932.1915 106.4630 -206622.5801 17949.3675 0.0000 0.0000 34473.4529 -149363.0618 301.0652 -183836.5147 -149270.9422 299.6471 36.0926 69.3436 555351.4317 -2.7511 -2.8877 PRESSURE: 2362000 51.2541 41.1377 -77.1113 41.1379 -78.1489 -19.5542 -77.111 -19.553 44.2808 GPRESSURE: 2362000 131.085 64.5062 -75.8102 -35.1304 -89.2541 -4.44402 -137.632 -32.3346 79.6847 PRESSAVG: 2362000 -20.1637 36.2692 -27.5991 36.2692 -22.2366 -2.30644 -27.5991 -2.30651 46.4028 GPRESSAVG: 2362000 -20.0433 34.2616 -27.938 38.403 -22.5343 0.445122 -24.3656 -4.54756 46.5023 TIMING: 2362000 CPU: 6845.37, 0.00289262/step Wall: 6845.37, 0.00289262/step, 2.11965 hours remaining, 210.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2362000 758.3804 2024.4644 1951.3831 107.5202 -206126.0726 17732.3980 0.0000 0.0000 34243.8615 -149308.0649 299.0602 -183551.9265 -149215.8674 299.2477 5.7953 40.5053 556163.4360 1.3341 1.3082 PRESSURE: 2362200 -258.576 79.5977 -11.6081 79.5969 -243.565 -5.68203 -11.6074 -5.68144 -189.132 GPRESSURE: 2362200 -190.006 136.248 -37.8629 56.3793 -225.245 -33.2028 60.8227 36.6039 -166.306 PRESSAVG: 2362200 -16.6814 42.2436 -22.6693 42.2435 -15.555 12.17 -22.6694 12.1701 13.2509 GPRESSAVG: 2362200 -17.7505 44.261 -24.2084 39.0697 -15.6244 10.3228 -24.0555 10.6731 14.9576 TIMING: 2362200 CPU: 6845.95, 0.00286845/step Wall: 6845.95, 0.00286845/step, 2.10178 hours remaining, 210.261719 MB of memory in use. ENERGY: 2362200 724.1013 2069.8383 1943.8363 114.3595 -205888.5308 17414.3085 0.0000 0.0000 34281.6421 -149340.4449 299.3901 -183622.0870 -149246.1528 298.8973 -230.4242 -193.8524 557237.3301 -6.3285 -6.1391 PRESSURE: 2362400 295.077 -67.4483 -54.2431 -67.4496 -132.727 -19.4463 -54.2413 -19.4456 39.6325 GPRESSURE: 2362400 346.442 -166.147 -87.0044 33.0976 -75.9662 -51.5077 -119.259 -33.3752 50.5188 PRESSAVG: 2362400 24.3787 28.1893 -40.338 28.1892 -78.5249 17.8794 -40.338 17.8793 56.9225 GPRESSAVG: 2362400 25.4166 27.6247 -38.4785 31.7814 -78.6532 17.2725 -41.5644 19.8535 55.5991 TIMING: 2362400 CPU: 6846.53, 0.00289824/step Wall: 6846.53, 0.00289824/step, 2.12344 hours remaining, 210.261719 MB of memory in use. ENERGY: 2362400 728.7878 2071.9944 1931.0978 111.7937 -206328.5145 17936.8417 0.0000 0.0000 34159.6685 -149388.3307 298.3249 -183547.9992 -149298.8484 298.7274 67.3276 106.9983 557099.5248 0.9254 0.7875 PRESSURE: 2362600 -81.7863 55.738 52.7669 55.7385 -313.556 42.4673 52.7671 42.4678 -8.43274 GPRESSURE: 2362600 -38.8399 71.9899 16.9425 52.677 -287.311 -58.5576 101.559 73.6358 28.8913 PRESSAVG: 2362600 15.8315 11.4798 12.8057 11.4796 -36.9674 10.7055 12.8057 10.7054 37.374 GPRESSAVG: 2362600 15.5287 10.5227 14.0233 9.71843 -36.5945 13.3411 13.3908 8.76129 37.0424 TIMING: 2362600 CPU: 6847.11, 0.00289938/step Wall: 6847.11, 0.00289938/step, 2.12412 hours remaining, 210.261719 MB of memory in use. ENERGY: 2362600 753.9444 2107.8971 1962.0873 127.7564 -205616.7887 17438.9132 0.0000 0.0000 33944.1485 -149282.0418 296.4427 -183226.1903 -149183.5359 298.9287 -134.5917 -99.0866 558162.6256 5.4127 5.3255 PRESSURE: 2362800 126.143 -165.939 -80.2397 -165.939 100.996 60.0851 -80.2405 60.0875 1.59144 GPRESSURE: 2362800 118.362 -196.543 -63.6323 -36.4952 132.451 -58.6813 -77.7946 160.801 62.8094 PRESSAVG: 2362800 46.9586 21.2269 -24.6388 21.2271 -25.5143 37.8494 -24.6387 37.8495 -20.7859 GPRESSAVG: 2362800 46.5489 21.9592 -25.9885 21.5565 -24.8234 34.7628 -24.6544 39.3486 -21.1656 TIMING: 2362800 CPU: 6847.69, 0.00288886/step Wall: 6847.69, 0.00288886/step, 2.11625 hours remaining, 210.261719 MB of memory in use. ENERGY: 2362800 745.1340 2145.8286 1931.5056 116.5198 -206627.2983 18151.3340 0.0000 0.0000 34475.2276 -149061.7487 301.0807 -183536.9764 -148965.9828 299.9688 76.2434 104.5407 558339.1148 0.2195 0.1866 PRESSURE: 2363000 -144.565 108.939 -52.742 108.939 -256.522 71.5236 -52.7424 71.525 -137.656 GPRESSURE: 2363000 -142.972 189.488 -92.0053 80.1691 -202.456 34.1307 -15.8828 45.1895 -97.9432 PRESSAVG: 2363000 0.485273 17.8059 -26.2997 17.806 -24.3347 -26.0813 -26.2997 -26.0814 36.2496 GPRESSAVG: 2363000 1.42903 17.7786 -26.0773 18.5743 -25.0003 -24.6602 -25.4934 -25.5004 36.2718 TIMING: 2363000 CPU: 6848.26, 0.00286826/step Wall: 6848.26, 0.00286826/step, 2.101 hours remaining, 210.261719 MB of memory in use. ENERGY: 2363000 747.1764 2143.7621 1946.1660 115.3225 -206230.2266 17660.8063 0.0000 0.0000 34341.8741 -149275.1192 299.9161 -183616.9934 -149179.1834 299.9634 -179.5810 -147.7905 558384.7917 4.1334 4.2335 PRESSURE: 2363200 -62.0012 39.3795 -154.633 39.3787 147.178 -146.857 -154.632 -146.859 -24.5012 GPRESSURE: 2363200 -49.3104 64.4897 -189.114 76.4502 214.669 -146.413 -109.511 -107.084 8.50174 PRESSAVG: 2363200 43.3417 47.8194 -67.3145 47.8194 -5.38483 -11.3918 -67.3145 -11.3918 -18.2403 GPRESSAVG: 2363200 42.4023 47.3666 -67.9781 46.7222 -4.83865 -12.0349 -68.121 -11.0637 -18.9116 TIMING: 2363200 CPU: 6848.83, 0.0028768/step Wall: 6848.83, 0.0028768/step, 2.1071 hours remaining, 210.261719 MB of memory in use. ENERGY: 2363200 758.8596 2134.2581 1970.6843 115.9984 -206204.8900 17849.2979 0.0000 0.0000 34187.7965 -149187.9952 298.5705 -183375.7917 -149099.2978 299.6960 20.2250 57.9534 558001.9743 6.5722 6.2173 PRESSURE: 2363400 -140.624 143.306 25.0165 143.305 -70.4907 39.4931 25.0151 39.4912 -168.991 GPRESSURE: 2363400 -127.144 129.82 73.4219 106.888 -34.2016 47.9125 2.07423 14.7086 -117.069 PRESSAVG: 2363400 -28.1056 29.4176 -26.2685 29.4176 31.3419 14.7883 -26.2685 14.7883 12.4405 GPRESSAVG: 2363400 -29.2479 29.7312 -26.5637 29.1925 31.2235 16.0121 -25.4261 12.1467 14.1033 TIMING: 2363400 CPU: 6849.41, 0.00287151/step Wall: 6849.41, 0.00287151/step, 2.10306 hours remaining, 210.261719 MB of memory in use. ENERGY: 2363400 762.1245 2111.6072 1951.3064 112.0527 -205848.5767 17610.0790 0.0000 0.0000 34225.7190 -149075.6879 298.9017 -183301.4069 -148978.8386 299.0092 -126.7021 -92.8048 558802.2889 5.2256 5.3596 PRESSURE: 2363600 -121.998 -5.1297 -18.1834 -5.12964 254.221 24.9663 -18.1825 24.9677 -128.215 GPRESSURE: 2363600 -95.9533 -12.2567 -35.0132 117.88 276.487 12.3762 0.221837 87.4259 -70.2996 PRESSAVG: 2363600 16.1274 70.02 12.3371 70.0199 -43.5858 36.0595 12.3371 36.0594 0.746111 GPRESSAVG: 2363600 17.3127 69.9814 15.0844 71.0434 -43.4829 36.5338 9.57618 35.1982 -0.66347 TIMING: 2363600 CPU: 6849.99, 0.00288876/step Wall: 6849.99, 0.00288876/step, 2.11553 hours remaining, 210.261719 MB of memory in use. ENERGY: 2363600 739.1087 2102.7122 1967.7385 109.1209 -206088.9666 17845.4514 0.0000 0.0000 34615.2175 -148709.6174 302.3033 -183324.8349 -148611.4352 299.6885 1.3360 36.7446 557731.7508 -8.9041 -8.9446 PRESSURE: 2363800 32.2739 -2.58954 36.0567 -2.58785 -28.4901 -30.6055 36.0575 -30.6054 91.8377 GPRESSURE: 2363800 4.43761 -49.3056 86.4255 29.1429 14.8777 -29.567 -11.0901 -61.5391 171.909 PRESSAVG: 2363800 -73.2498 29.2236 -23.3326 29.2235 69.6813 15.0822 -23.3326 15.0822 -33.1329 GPRESSAVG: 2363800 -72.4874 29.9562 -25.9783 28.7518 67.8948 14.874 -22.228 16.8043 -32.2954 TIMING: 2363800 CPU: 6850.57, 0.002892/step Wall: 6850.57, 0.002892/step, 2.11774 hours remaining, 210.281250 MB of memory in use. ENERGY: 2363800 754.4098 2090.8259 1956.4989 113.0285 -205836.4978 17756.5500 0.0000 0.0000 34528.8689 -148636.3157 301.5492 -183165.1846 -148535.7465 300.6672 31.8738 63.7416 557677.6689 -12.2338 -12.2960 PRESSURE: 2364000 49.0323 25.8869 -81.3881 25.8868 -104.889 -25.9116 -81.3898 -25.9112 -81.452 GPRESSURE: 2364000 50.2596 57.8419 -142.061 -13.5687 -34.2385 -4.70898 -56.8577 89.8167 -57.8511 PRESSAVG: 2364000 2.40856 -34.9365 -47.2207 -34.9366 -28.0958 -48.0172 -47.2207 -48.0172 16.9116 GPRESSAVG: 2364000 1.59838 -34.816 -47.1081 -35.6788 -26.657 -49.0835 -46.7918 -48.0673 16.0177 TIMING: 2364000 CPU: 6851.14, 0.00287782/step Wall: 6851.14, 0.00287782/step, 2.1072 hours remaining, 210.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2364000 726.1891 2105.9889 1955.7812 104.4945 -205648.6538 17587.3385 0.0000 0.0000 34372.5190 -148796.3426 300.1838 -183168.8616 -148703.1596 300.1505 -45.7697 -13.9433 558072.9962 -2.9252 -3.0136 PRESSURE: 2364200 -18.1817 -63.5707 -28.3749 -63.5709 -0.72947 -9.54478 -28.3758 -9.54426 -32.0157 GPRESSURE: 2364200 -55.4551 -32.2789 -108.65 -52.4115 11.8566 -13.9941 -89.8625 0.411124 87.2265 PRESSAVG: 2364200 -33.786 -5.63054 -49.0671 -5.63056 39.1207 13.7283 -49.0672 13.7283 22.2145 GPRESSAVG: 2364200 -34.2287 -3.97092 -48.974 -5.0795 38.8116 14.2244 -50.5616 12.5801 23.0996 TIMING: 2364200 CPU: 6851.72, 0.00288314/step Wall: 6851.72, 0.00288314/step, 2.11094 hours remaining, 210.281250 MB of memory in use. ENERGY: 2364200 747.0251 2129.2529 1944.8823 114.8449 -205881.2571 17687.3754 0.0000 0.0000 34465.4473 -148792.4290 300.9953 -183257.8763 -148698.9940 300.8321 -16.9756 14.5427 556701.2409 9.1831 9.2275 LDB: ============= START OF LOAD BALANCING ============== 6855.1 LDB: ============== END OF LOAD BALANCING =============== 6855.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6855.1 LDB: ============= START OF LOAD BALANCING ============== 6855.4 LDB: Largest compute 4820 load 0.025446 is 21.6% of average load 0.117822 LDB: Average compute 0.001754 is 1.5% of average load 0.117822 LDB: TIME 6855.4 LOAD: AVG 0.117822 MAX 0.180658 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.934 MB LDB: TIME 6855.4 LOAD: AVG 0.117822 MAX 0.180658 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.934 MB LDB: TIME 6855.4 LOAD: AVG 0.117822 MAX 0.180658 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.934 MB LDB: ============== END OF LOAD BALANCING =============== 6855.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6855.4 PRESSURE: 2364400 159.975 194.572 150.004 194.572 -225.809 -133.566 150.003 -133.566 301.806 GPRESSURE: 2364400 155.964 220.354 157.227 65.3837 -198.64 -221.809 169.629 -93.6734 381.544 PRESSAVG: 2364400 -9.00251 5.62826 -70.781 5.6283 -12.4356 5.86737 -70.7809 5.86735 52.8299 GPRESSAVG: 2364400 -9.08238 5.28812 -71.4132 6.15464 -12.4076 6.67247 -67.0984 6.79013 52.4078 TIMING: 2364400 CPU: 6852.31, 0.00295484/step Wall: 6852.31, 0.00295484/step, 2.16327 hours remaining, 208.210938 MB of memory in use. ENERGY: 2364400 748.9710 2102.0776 1973.6061 118.0685 -205711.0681 17643.1286 0.0000 0.0000 34280.4112 -148844.8051 299.3794 -183125.2164 -148753.7462 300.1144 78.6574 112.9559 557459.6762 10.4639 10.3060 PRESSURE: 2364600 -198.034 2.04551 -89.8887 2.04555 -236.238 -81.8009 -89.8906 -81.8018 -53.188 GPRESSURE: 2364600 -117.389 -8.81247 -121.97 -72.4455 -214.457 -64.5225 -124.167 -12.4515 -55.7131 PRESSAVG: 2364600 37.1607 -30.9657 -14.7005 -30.9656 -42.2809 -25.3864 -14.7005 -25.3863 -9.27685 GPRESSAVG: 2364600 38.0076 -31.1358 -15.4556 -30.9545 -42.8721 -25.5834 -14.3887 -25.9435 -10.0423 TIMING: 2364600 CPU: 6852.89, 0.00290446/step Wall: 6852.89, 0.00290446/step, 2.12623 hours remaining, 208.210938 MB of memory in use. ENERGY: 2364600 735.0365 2111.8395 1958.8518 120.1017 -205534.9790 17453.0523 0.0000 0.0000 34432.9329 -148723.1642 300.7114 -183156.0971 -148623.8763 300.5314 -162.4867 -129.1864 558456.9901 -4.7990 -4.9690 PRESSURE: 2364800 122.796 -69.9727 -23.257 -69.9716 -31.7615 128.013 -23.2548 128.011 -112.438 GPRESSURE: 2364800 133.916 -124.914 25.106 -50.0341 -7.34116 138.023 -15.7467 143.877 -48.3178 PRESSAVG: 2364800 82.5106 -53.4189 29.4723 -53.4188 -23.8406 9.80768 29.4723 9.80768 -24.8715 GPRESSAVG: 2364800 82.1632 -52.8393 32.085 -55.5093 -23.7005 10.5505 26.3452 10.4323 -25.2178 TIMING: 2364800 CPU: 6853.47, 0.00289156/step Wall: 6853.47, 0.00289156/step, 2.11662 hours remaining, 208.210938 MB of memory in use. ENERGY: 2364800 737.6054 2132.5258 1954.0629 110.4419 -205846.2409 17647.7449 0.0000 0.0000 34252.1682 -149011.6918 299.1327 -183263.8600 -148921.6449 300.4245 -7.1346 26.0856 556916.4769 11.2662 11.0816 PRESSURE: 2365000 57.3143 14.7967 3.59491 14.7963 140.117 96.5715 3.59483 96.5723 -47.1815 GPRESSURE: 2365000 95.8027 -62.5125 17.9767 111.608 119.051 144.311 -38.1337 55.6286 33.3868 PRESSAVG: 2365000 25.6628 -35.3193 -46.3356 -35.3193 -12.0562 6.08629 -46.3357 6.0862 -14.5828 GPRESSAVG: 2365000 26.0792 -37.3515 -49.4655 -32.7089 -12.6492 4.06088 -43.4456 5.7883 -14.0263 TIMING: 2365000 CPU: 6854.04, 0.00287976/step Wall: 6854.04, 0.00287976/step, 2.10783 hours remaining, 208.210938 MB of memory in use. ENERGY: 2365000 753.3959 2093.7617 1953.1777 109.4563 -205971.2457 17827.8192 0.0000 0.0000 34263.0152 -148970.6198 299.2274 -183233.6349 -148869.9166 299.1704 50.0833 82.7468 557365.5669 -0.3254 -0.1988 PRESSURE: 2365200 74.0311 54.628 148.707 54.629 -118.813 165.594 148.707 165.597 -66.0038 GPRESSURE: 2365200 114.382 93.0189 126.196 45.8267 -53.9198 140.183 136.577 129.727 -72.3012 PRESSAVG: 2365200 -26.931 40.3369 -27.6168 40.3369 -34.1774 33.062 -27.6169 33.062 68.7339 GPRESSAVG: 2365200 -28.2228 40.5699 -26.3649 42.9728 -32.8824 32.977 -29.2173 31.833 68.7355 TIMING: 2365200 CPU: 6854.62, 0.00287293/step Wall: 6854.62, 0.00287293/step, 2.10267 hours remaining, 208.210938 MB of memory in use. ENERGY: 2365200 762.6422 2115.9573 1971.6062 126.9165 -206012.8060 17705.6045 0.0000 0.0000 34447.1132 -148882.9661 300.8352 -183330.0792 -148781.3314 299.4219 -36.9287 -3.9463 556191.5715 2.5419 2.5434 PRESSURE: 2365400 -291.792 101.564 48.827 101.564 -194.639 -141.362 48.8266 -141.363 -233.615 GPRESSURE: 2365400 -268.118 79.6902 8.02164 76.7586 -143.833 -179.004 175.91 -105.504 -212.505 PRESSAVG: 2365400 47.8722 0.108814 4.42214 0.108781 16.1253 -8.6259 4.42206 -8.6259 -0.549786 GPRESSAVG: 2365400 48.6384 1.54544 4.77982 -3.7033 15.4667 -6.20129 4.80091 -7.69248 -0.717439 TIMING: 2365400 CPU: 6855.2, 0.00289002/step Wall: 6855.2, 0.00289002/step, 2.11501 hours remaining, 208.210938 MB of memory in use. ENERGY: 2365400 776.9041 2110.2769 1936.7780 127.5171 -205750.5968 17508.3511 0.0000 0.0000 34451.8381 -148838.9314 300.8765 -183290.7695 -148750.8798 300.9871 -240.0150 -208.1520 556911.9392 21.1492 21.1292 PRESSURE: 2365600 -207.047 -38.8926 -7.12423 -38.8916 257.726 143.577 -7.12478 143.575 205.023 GPRESSURE: 2365600 -151.554 40.1568 -47.9543 -26.5065 287.234 165.533 -56.1238 166.179 230.763 PRESSAVG: 2365600 39.6128 -1.76153 11.2224 -1.76154 -17.076 41.0306 11.2224 41.0305 -38.3198 GPRESSAVG: 2365600 39.0782 -1.1165 11.2501 -1.66185 -17.3341 38.2396 9.29714 42.9981 -37.5749 TIMING: 2365600 CPU: 6855.78, 0.00290284/step Wall: 6855.78, 0.00290284/step, 2.12423 hours remaining, 208.210938 MB of memory in use. ENERGY: 2365600 741.1853 2076.3201 1962.7346 110.5726 -206009.6078 17933.3844 0.0000 0.0000 34485.6478 -148699.7629 301.1717 -183185.4107 -148603.9824 300.8714 85.2341 122.1476 557234.8066 -5.2610 -5.2769 PRESSURE: 2365800 32.5689 -114.555 -32.2449 -114.554 -91.2825 -78.1272 -32.2442 -78.1279 -17.5354 GPRESSURE: 2365800 101.432 -97.6851 -13.7163 -63.1815 -46.9104 53.7902 -90.0674 -108.374 -34.6537 PRESSAVG: 2365800 -33.3175 -3.7307 49.6951 -3.73074 34.7032 89.5179 49.695 89.5179 22.0161 GPRESSAVG: 2365800 -31.6075 -4.6116 48.8075 -1.4619 34.3777 90.5669 51.7355 89.8691 20.4063 TIMING: 2365800 CPU: 6856.35, 0.00288044/step Wall: 6856.35, 0.00288044/step, 2.10768 hours remaining, 208.210938 MB of memory in use. ENERGY: 2365800 715.6701 2103.5372 1949.2201 106.3083 -205667.0496 17689.2490 0.0000 0.0000 34479.5998 -148623.4650 301.1189 -183103.0649 -148524.5720 300.9113 -25.4163 6.6226 557861.7531 7.8006 7.7255 PRESSURE: 2366000 -109.284 59.1762 76.8171 59.1751 -298.152 -2.23836 76.8172 -2.23785 -203.88 GPRESSURE: 2366000 -85.7746 37.7166 139.613 46.4726 -251.329 -40.9295 59.4167 -20.9862 -180.055 PRESSAVG: 2366000 -4.97136 -44.6259 52.9932 -44.6258 22.3754 -25.2895 52.9932 -25.2894 -52.9066 GPRESSAVG: 2366000 -5.50875 -47.9181 55.7799 -44.4512 21.6707 -24.3549 51.1176 -27.3207 -51.5661 TIMING: 2366000 CPU: 6856.93, 0.00288751/step Wall: 6856.93, 0.00288751/step, 2.11269 hours remaining, 208.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2366000 710.6640 2091.5966 1947.9704 101.2719 -205085.6893 17305.3927 0.0000 0.0000 34213.2933 -148715.5004 298.7932 -182928.7937 -148616.8333 300.5870 -203.7719 -172.3862 559187.1226 -11.8342 -11.8014 PRESSURE: 2366200 161.704 57.2743 68.7921 57.2742 71.0593 24.0387 68.7938 24.0375 78.4748 GPRESSURE: 2366200 202.775 150.213 52.7402 37.4104 112.418 -0.271782 64.2927 -8.13305 89.7375 PRESSAVG: 2366200 60.0505 -30.824 12.702 -30.824 -61.0524 34.0408 12.7021 34.0407 -2.61159 GPRESSAVG: 2366200 58.6819 -27.8063 11.1762 -30.9868 -59.7489 33.1224 12.6665 33.118 -2.52211 TIMING: 2366200 CPU: 6857.51, 0.00289397/step Wall: 6857.51, 0.00289397/step, 2.11726 hours remaining, 208.210938 MB of memory in use. ENERGY: 2366200 733.0091 2116.6737 1983.9469 112.6895 -205866.9444 17770.5776 0.0000 0.0000 34446.1611 -148703.8865 300.8269 -183150.0476 -148606.8954 300.3530 103.7460 134.9771 557102.8186 -1.2045 -1.1964 PRESSURE: 2366400 1.8271 -53.5443 -73.6103 -53.5429 -112.785 -50.8212 -73.6097 -50.8208 -106.181 GPRESSURE: 2366400 16.6211 -77.1347 -0.894629 -86.4121 -113.444 26.8435 -56.6986 -62.5107 -7.60275 PRESSAVG: 2366400 36.7753 11.8552 -12.0598 11.8551 19.1631 -20.8917 -12.0598 -20.8917 -65.3205 GPRESSAVG: 2366400 37.3091 13.8729 -11.8943 10.0166 19.186 -21.8494 -11.2549 -20.6097 -66.3549 TIMING: 2366400 CPU: 6858.09, 0.00289103/step Wall: 6858.09, 0.00289103/step, 2.11495 hours remaining, 208.210938 MB of memory in use. ENERGY: 2366400 725.6133 2078.2398 1961.7712 119.4654 -205410.8141 17513.1305 0.0000 0.0000 34333.8659 -148678.7282 299.8462 -183012.5940 -148585.2221 300.2386 -72.3795 -34.8084 558908.7469 -3.1274 -3.2866 PRESSURE: 2366600 42.9255 -28.503 -73.5669 -28.5027 127.297 92.1379 -73.5669 92.1386 -40.0244 GPRESSURE: 2366600 47.7182 -55.3621 -59.5226 -129.004 179.136 117.321 -54.6031 30.6638 -3.06693 PRESSAVG: 2366600 34.3062 25.6505 -42.779 25.6506 25.2991 20.7108 -42.7792 20.7108 -38.407 GPRESSAVG: 2366600 34.5196 21.9214 -42.0782 24.391 23.5179 22.1802 -43.7569 21.5633 -37.215 TIMING: 2366600 CPU: 6858.67, 0.00289904/step Wall: 6858.67, 0.00289904/step, 2.12065 hours remaining, 208.210938 MB of memory in use. ENERGY: 2366600 720.9997 2071.0663 1977.4857 127.5865 -205650.1483 17712.8416 0.0000 0.0000 34480.2228 -148559.9457 301.1244 -183040.1685 -148473.9911 301.2942 43.3992 74.5956 557502.4725 7.0661 6.9408 PRESSURE: 2366800 -481.414 -5.71315 -168.844 -5.71384 196.641 -26.7619 -168.844 -26.7617 5.39048 GPRESSURE: 2366800 -361.996 -27.0801 -142.57 56.1338 214.638 35.5189 -172.75 -6.84073 -11.7896 PRESSAVG: 2366800 2.64243 36.3174 -13.0088 36.3174 35.7124 40.4004 -13.0088 40.4005 6.62939 GPRESSAVG: 2366800 3.73254 38.3734 -12.5109 36.7135 36.4712 40.5991 -15.408 39.6383 4.75285 TIMING: 2366800 CPU: 6859.24, 0.00287251/step Wall: 6859.24, 0.00287251/step, 2.10108 hours remaining, 208.210938 MB of memory in use. ENERGY: 2366800 759.5499 2110.7612 1963.5761 115.5482 -205984.9986 17845.6888 0.0000 0.0000 34483.6834 -148706.1911 301.1546 -183189.8745 -148612.5621 301.0731 -93.1275 -53.0492 558621.2740 14.9947 14.9855 PRESSURE: 2367000 -256.177 -13.0494 -55.4639 -13.05 229.432 -4.91546 -55.4639 -4.91505 -58.8905 GPRESSURE: 2367000 -187.73 25.6787 39.2957 -8.11348 228.76 -6.92892 -116.363 9.15986 -13.1815 PRESSAVG: 2367000 22.8136 29.8338 -4.72489 29.8338 75.3808 34.0257 -4.72486 34.0258 -59.4174 GPRESSAVG: 2367000 22.6581 29.8533 -4.72798 31.0017 74.4935 33.1336 -2.69913 36.064 -58.7905 TIMING: 2367000 CPU: 6859.82, 0.00287816/step Wall: 6859.82, 0.00287816/step, 2.10505 hours remaining, 208.210938 MB of memory in use. ENERGY: 2367000 728.6495 2042.3809 1945.8598 122.4063 -205999.4975 17758.0494 0.0000 0.0000 34464.9161 -148937.2355 300.9907 -183402.1516 -148832.7698 300.6035 -28.5450 9.2828 558785.1542 12.9257 12.7870 PRESSURE: 2367200 -281.95 89.64 91.0415 89.6399 77.049 91.1843 91.0406 91.1844 60.6089 GPRESSURE: 2367200 -271.34 72.4184 74.8548 84.0237 107.068 96.4121 98.2397 35.399 122.751 PRESSAVG: 2367200 -22.0161 19.3875 -41.1406 19.3876 -2.01169 -5.73686 -41.1405 -5.73683 2.25491 GPRESSAVG: 2367200 -23.9348 19.672 -41.9704 18.9568 -0.70407 -5.10209 -40.3845 -7.07047 2.53784 TIMING: 2367200 CPU: 6860.39, 0.00287498/step Wall: 6860.39, 0.00287498/step, 2.10257 hours remaining, 208.210938 MB of memory in use. ENERGY: 2367200 780.1469 2077.3608 1941.7386 105.9097 -205863.1509 17824.0076 0.0000 0.0000 34207.4224 -148926.5649 298.7419 -183133.9873 -148838.7979 299.5974 -48.0973 -13.8401 558276.6585 -7.2576 -7.3670 PRESSURE: 2367400 -164.704 -66.2035 -103.056 -66.2029 -249.713 -59.3397 -103.057 -59.341 105.807 GPRESSURE: 2367400 -96.6864 -34.2894 -133.764 -73.2477 -164.974 -117.045 -87.4328 -28.3891 46.6547 PRESSAVG: 2367400 34.5719 -14.1172 -28.1643 -14.1171 7.75651 82.3533 -28.1643 82.3533 31.8746 GPRESSAVG: 2367400 35.4443 -15.1078 -28.834 -12.7244 7.80923 80.6054 -28.6976 83.2476 31.4408 TIMING: 2367400 CPU: 6860.97, 0.00290958/step Wall: 6860.97, 0.00290958/step, 2.12771 hours remaining, 208.210938 MB of memory in use. ENERGY: 2367400 766.9263 2033.3597 1949.7528 114.0367 -205950.9487 17782.3198 0.0000 0.0000 34397.5574 -148906.9960 300.4024 -183304.5534 -148811.0721 300.2585 -102.8701 -71.6684 558456.4431 24.7343 24.8981 PRESSURE: 2367600 234.884 -17.4968 -78.3179 -17.4964 -91.8709 136.327 -78.3177 136.326 32.0047 GPRESSURE: 2367600 228.546 51.5241 -93.8751 -33.204 -36.5449 162.452 -19.2012 143.136 86.0834 PRESSAVG: 2367600 -4.41411 4.53859 30.1274 4.53864 -20.0092 17.2704 30.1274 17.2704 12.7433 GPRESSAVG: 2367600 -4.36258 5.05838 31.3512 4.19236 -20.4177 17.5737 29.8067 16.3838 12.7291 TIMING: 2367600 CPU: 6861.56, 0.00290522/step Wall: 6861.56, 0.00290522/step, 2.12436 hours remaining, 208.210938 MB of memory in use. ENERGY: 2367600 735.1305 2079.1052 1953.9342 115.1748 -206349.6085 18094.5266 0.0000 0.0000 34294.9453 -149076.7919 299.5063 -183371.7372 -148977.3559 300.1076 58.3392 92.6949 558825.4048 -3.8933 -4.0171 PRESSURE: 2367800 223.467 60.7575 -1.99416 60.7576 358.021 -62.3077 -1.99396 -62.3084 115.66 GPRESSURE: 2367800 282.94 -3.96454 70.6879 72.7781 384.403 -212.222 -24.0131 -13.1227 130.765 PRESSAVG: 2367800 16.127 -19.7479 -25.0074 -19.748 52.7207 -9.31822 -25.0074 -9.3181 -8.36953 GPRESSAVG: 2367800 17.3158 -21.7228 -26.1092 -20.5613 51.2357 -9.12431 -22.6315 -9.7003 -8.19536 TIMING: 2367800 CPU: 6862.14, 0.00291039/step Wall: 6862.14, 0.00291039/step, 2.12798 hours remaining, 208.210938 MB of memory in use. ENERGY: 2367800 747.3898 2103.2164 1959.5982 119.7290 -206029.9670 17909.0623 0.0000 0.0000 34129.5172 -149061.4542 298.0616 -183190.9714 -148967.5603 299.7456 232.3829 266.0361 557872.0771 20.1594 20.1187 PRESSURE: 2368000 -19.459 36.7089 -6.56127 36.7091 -8.37707 36.4419 -6.56106 36.4405 157.617 GPRESSURE: 2368000 7.63 -143.192 -135.391 78.6849 64.9196 26.2815 42.9801 -24.2776 153.002 PRESSAVG: 2368000 -73.1791 -38.995 22.0979 -38.995 19.4622 -22.6176 22.0979 -22.6177 51.6164 GPRESSAVG: 2368000 -75.0209 -36.1365 21.1651 -40.1883 20.811 -22.0757 22.6775 -21.4093 52.2614 TIMING: 2368000 CPU: 6862.72, 0.00292978/step Wall: 6862.72, 0.00292978/step, 2.14199 hours remaining, 208.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2368000 741.5285 2095.7468 1959.6343 114.3955 -206286.9227 17889.4976 0.0000 0.0000 34219.9696 -149266.1504 298.8515 -183486.1199 -149173.5217 298.8157 43.2602 75.1840 558013.3343 -0.7001 -0.6495 PRESSURE: 2368200 -96.0981 -64.971 -182.435 -64.9707 -123.505 9.06521 -182.435 9.06496 -147.518 GPRESSURE: 2368200 -89.7799 -2.91268 -146.645 -87.3071 -113.108 25.291 -174.839 5.34408 -71.3361 PRESSAVG: 2368200 -20.3629 -52.445 11.3659 -52.4449 -56.1478 -9.51646 11.3659 -9.51648 62.2858 GPRESSAVG: 2368200 -20.2214 -53.1076 13.2052 -51.7045 -56.4071 -9.44022 8.91008 -9.38124 62.289 TIMING: 2368200 CPU: 6863.31, 0.00291305/step Wall: 6863.31, 0.00291305/step, 2.1296 hours remaining, 208.210938 MB of memory in use. ENERGY: 2368200 774.2716 2091.7087 1946.6453 120.1335 -205897.5702 17638.2393 0.0000 0.0000 34295.0730 -149031.4990 299.5074 -183326.5719 -148933.9955 299.8984 -122.3738 -91.4078 558324.9641 -4.7416 -4.7798 LDB: ============= START OF LOAD BALANCING ============== 6866.69 LDB: ============== END OF LOAD BALANCING =============== 6866.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6866.7 LDB: ============= START OF LOAD BALANCING ============== 6866.99 LDB: Largest compute 4820 load 0.026249 is 22.3% of average load 0.117899 LDB: Average compute 0.001751 is 1.5% of average load 0.117899 LDB: TIME 6866.99 LOAD: AVG 0.117899 MAX 0.178923 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 6866.99 LOAD: AVG 0.117899 MAX 0.178923 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.539 MB LDB: TIME 6866.99 LOAD: AVG 0.117899 MAX 0.178923 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.539 MB LDB: ============== END OF LOAD BALANCING =============== 6866.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6867 PRESSURE: 2368400 -151.531 122.346 -30.5557 122.346 409.017 -147.472 -30.5553 -147.472 87.6846 GPRESSURE: 2368400 -71.8306 28.6745 -56.4828 157.969 428.01 -81.5601 16.261 -120.838 86.5842 PRESSAVG: 2368400 46.2471 20.8544 -50.0881 20.8544 -6.17209 4.5604 -50.088 4.5605 -11.0671 GPRESSAVG: 2368400 48.0286 21.6569 -52.3374 21.6976 -7.20657 4.74396 -48.498 4.2097 -12.416 TIMING: 2368400 CPU: 6863.9, 0.00297524/step Wall: 6863.9, 0.00297524/step, 2.1749 hours remaining, 209.683594 MB of memory in use. ENERGY: 2368400 752.9311 2123.2928 1933.3463 119.5812 -206045.9237 17881.1262 0.0000 0.0000 34298.1189 -148937.5272 299.5340 -183235.6461 -148840.8022 299.3401 115.0571 147.5880 557386.4034 9.6693 9.4687 PRESSURE: 2368600 -60.8312 -191.763 -44.9812 -191.765 283.26 -226.774 -44.9809 -226.775 -80.5855 GPRESSURE: 2368600 -9.35332 -226.992 -69.8962 -101.98 308.998 -317.739 -103.826 -180.888 -48.5145 PRESSAVG: 2368600 14.3995 -0.218551 15.2282 -0.218567 40.1917 -17.4236 15.2281 -17.4236 -82.6335 GPRESSAVG: 2368600 12.6662 -2.54876 17.4023 0.793988 40.3489 -18.1792 13.8826 -16.5907 -81.5383 TIMING: 2368600 CPU: 6864.48, 0.00291735/step Wall: 6864.48, 0.00291735/step, 2.13242 hours remaining, 209.753906 MB of memory in use. ENERGY: 2368600 738.9228 2109.1376 1950.7666 111.8569 -206110.1187 17718.8208 0.0000 0.0000 34467.5125 -149013.1014 301.0134 -183480.6139 -148918.2211 299.9686 47.2811 83.7102 556221.6713 -9.3474 -9.5077 PRESSURE: 2368800 -109.874 -23.8697 -162.732 -23.8693 105.333 21.2148 -162.732 21.2146 -232.464 GPRESSURE: 2368800 -38.0714 -24.2479 -188.462 -23.3245 80.3791 7.13232 -161.25 13.9914 -180.291 PRESSAVG: 2368800 24.9296 -42.5983 -20.4589 -42.5983 17.9563 30.301 -20.4588 30.3011 -29.3178 GPRESSAVG: 2368800 24.8759 -41.7017 -20.5073 -44.1861 18.0347 31.5682 -21.1754 28.2082 -29.6457 TIMING: 2368800 CPU: 6865.06, 0.00289903/step Wall: 6865.06, 0.00289903/step, 2.11887 hours remaining, 209.753906 MB of memory in use. ENERGY: 2368800 749.9357 2115.4819 1915.8473 117.6035 -205995.8986 17747.7684 0.0000 0.0000 34338.3329 -149010.9289 299.8852 -183349.2618 -148920.0046 299.8363 -79.0016 -45.9945 557942.1543 4.5227 4.4217 PRESSURE: 2369000 -240.782 157.55 -127.736 157.55 -376.922 106.533 -127.737 106.532 105.457 GPRESSURE: 2369000 -199.375 180.496 -110.272 85.3561 -344.284 90.9442 -128.895 72.9724 122.155 PRESSAVG: 2369000 23.3657 55.7374 -38.1 55.7374 -29.7393 22.0905 -38.1 22.0905 -25.8983 GPRESSAVG: 2369000 23.5616 56.71 -38.5781 56.6028 -29.6072 22.0435 -37.4504 21.2537 -26.1916 TIMING: 2369000 CPU: 6865.64, 0.00287038/step Wall: 6865.64, 0.00287037/step, 2.09777 hours remaining, 209.753906 MB of memory in use. ENERGY: 2369000 781.5148 2078.4270 1936.8925 108.7213 -206034.6598 17684.6088 0.0000 0.0000 34446.9933 -148997.5021 300.8342 -183444.4954 -148893.7013 300.0793 -170.7491 -140.5012 557716.2201 -10.7573 -10.7457 PRESSURE: 2369200 -136.955 -83.0729 -21.6191 -83.073 41.5545 -34.1542 -21.6191 -34.1557 -123.34 GPRESSURE: 2369200 -78.7914 -46.3763 29.087 -78.6277 45.3865 20.7764 52.2077 -67.4298 -91.662 PRESSAVG: 2369200 4.66554 -7.11761 2.33197 -7.11754 -17.0413 18.2265 2.33188 18.2265 30.1508 GPRESSAVG: 2369200 4.58565 -6.81397 3.96018 -6.65284 -17.4243 19.0438 1.70014 20.3396 30.2509 TIMING: 2369200 CPU: 6866.21, 0.00287658/step Wall: 6866.21, 0.00287658/step, 2.10214 hours remaining, 209.753906 MB of memory in use. ENERGY: 2369200 742.9269 2122.1939 1933.4732 108.4574 -206013.9701 17583.6668 0.0000 0.0000 34319.7701 -149203.4817 299.7231 -183523.2518 -149111.3258 299.3491 -72.9136 -41.6890 556820.2001 5.9250 5.8041 PRESSURE: 2369400 137.033 -62.2423 30.1407 -62.2421 285.73 1.00558 30.1407 1.00498 -145.813 GPRESSURE: 2369400 196.887 -67.8162 121.192 -72.6483 289.273 55.8281 -16.8772 16.7303 -101.122 PRESSAVG: 2369400 36.2647 -2.07483 43.7571 -2.07492 -7.01144 -5.18102 43.7571 -5.18107 -28.7973 GPRESSAVG: 2369400 35.8107 -1.31095 41.77 -5.91729 -6.7395 -4.82487 44.0241 -5.7087 -28.215 TIMING: 2369400 CPU: 6866.79, 0.00288166/step Wall: 6866.79, 0.00288166/step, 2.1057 hours remaining, 209.753906 MB of memory in use. ENERGY: 2369400 758.0024 2128.4178 1944.2758 115.2147 -206223.4741 17837.6083 0.0000 0.0000 34123.8023 -149316.1528 298.0117 -183439.9551 -149221.0024 298.3975 92.3167 128.3463 555901.7360 0.1520 0.2854 PRESSURE: 2369600 -54.1679 -92.5367 56.4944 -92.5358 -37.2734 277.812 56.4936 277.813 -169.635 GPRESSURE: 2369600 75.0262 -97.5023 108.491 -112.615 -69.6018 307.365 -66.4268 235.074 -164.442 PRESSAVG: 2369600 -0.542045 1.73485 -3.14306 1.73486 10.3129 81.452 -3.14302 81.4521 5.00168 GPRESSAVG: 2369600 0.953734 -1.74127 -3.35809 3.90064 11.2299 81.5147 -4.19889 80.1791 3.32464 TIMING: 2369600 CPU: 6867.36, 0.00287625/step Wall: 6867.36, 0.00287625/step, 2.10158 hours remaining, 209.753906 MB of memory in use. ENERGY: 2369600 760.0641 2122.6971 1943.9141 104.1433 -206045.3783 17636.6815 0.0000 0.0000 34129.7002 -149348.1779 298.0632 -183477.8781 -149251.4765 299.4934 -87.0253 -53.0059 556929.1427 4.9242 5.1694 PRESSURE: 2369800 -252.95 134.071 69.5337 134.072 94.1683 -52.8961 69.5335 -52.897 -119.677 GPRESSURE: 2369800 -167.571 151.218 41.9037 207.393 99.5273 -67.0882 38.108 -38.718 -104.685 PRESSAVG: 2369800 -45.6485 35.0301 48.2699 35.0301 15.1667 4.51824 48.27 4.51828 44.5253 GPRESSAVG: 2369800 -47.0504 38.3673 47.2297 35.4816 15.3384 3.84428 48.4513 6.1183 45.5537 TIMING: 2369800 CPU: 6867.95, 0.00290215/step Wall: 6867.95, 0.00290215/step, 2.12035 hours remaining, 209.753906 MB of memory in use. ENERGY: 2369800 764.7444 2110.4536 1957.5853 109.5217 -206166.8497 17724.8771 0.0000 0.0000 34079.1613 -149420.5063 297.6218 -183499.6676 -149323.9093 298.9946 -92.8194 -57.5764 556797.7951 4.6812 4.6139 PRESSURE: 2370000 5.21949 8.70969 47.5015 8.70996 -79.3789 32.7062 47.5006 32.7052 -7.85957 GPRESSURE: 2370000 -34.918 58.6122 41.8101 36.1784 41.9614 101.121 171.129 -5.78193 7.29441 PRESSAVG: 2370000 -22.339 34.8139 16.564 34.8139 2.55939 -84.1812 16.5639 -84.1812 4.29575 GPRESSAVG: 2370000 -22.044 33.0637 17.9718 34.7156 1.90131 -85.2686 15.4757 -84.8055 4.76151 TIMING: 2370000 CPU: 6868.52, 0.00289751/step Wall: 6868.52, 0.00289751/step, 2.11679 hours remaining, 209.753906 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: 2370000 758.0873 2120.9229 1930.7917 115.5310 -206243.8515 17675.2356 0.0000 0.0000 34144.5796 -149498.7034 298.1931 -183643.2830 -149398.3544 299.1105 -27.3397 4.7793 555465.1511 -5.1613 -5.1271 PRESSURE: 2370200 -142.773 149.456 16.8227 149.457 -64.9038 65.641 16.8223 65.6406 -268.305 GPRESSURE: 2370200 -83.0793 171.728 -42.0079 133.541 -75.4824 5.80585 45.0215 82.0093 -219.411 PRESSAVG: 2370200 23.8532 5.51612 -1.39587 5.51627 -2.60704 -21.6413 -1.39588 -21.6414 -8.31493 GPRESSAVG: 2370200 23.8455 5.07426 -2.99353 5.1294 -2.87436 -21.1153 -1.23372 -21.2577 -7.4509 TIMING: 2370200 CPU: 6869.1, 0.00288267/step Wall: 6869.1, 0.00288267/step, 2.10579 hours remaining, 209.753906 MB of memory in use. ENERGY: 2370200 768.5212 2127.4391 1931.8758 125.0517 -206179.8614 17705.3903 0.0000 0.0000 34102.3007 -149419.2827 297.8239 -183521.5833 -149326.4430 299.1178 -158.6604 -125.9910 556802.9875 4.3104 4.5067 PRESSURE: 2370400 -4.91988 1.70591 140.967 1.7063 -89.7346 210.44 140.969 210.439 -165.559 GPRESSURE: 2370400 20.0531 -25.3803 202.565 66.9728 -37.104 187.206 145.75 221.287 -130.167 PRESSAVG: 2370400 15.9493 -11.5893 -64.8994 -11.5893 20.2761 14.5829 -64.8996 14.5829 -34.4873 GPRESSAVG: 2370400 17.6811 -11.6306 -63.6702 -9.79418 20.4127 11.2424 -63.6875 16.3179 -35.8233 TIMING: 2370400 CPU: 6869.68, 0.00288543/step Wall: 6869.68, 0.00288543/step, 2.10764 hours remaining, 209.753906 MB of memory in use. ENERGY: 2370400 761.0887 2095.6473 1965.6098 124.7716 -206184.9551 17644.8592 0.0000 0.0000 34426.7817 -149166.1970 300.6576 -183592.9787 -149062.9602 299.5289 -86.7377 -49.0728 556532.4234 0.5794 0.7568 PRESSURE: 2370600 -8.56631 -194.376 -66.0089 -194.376 -11.0272 2.04375 -66.0093 2.04214 116.01 GPRESSURE: 2370600 40.3926 -151.707 -92.1868 -123.741 46.8588 -7.77598 -33.5387 -54.9873 109.727 PRESSAVG: 2370600 37.7368 2.00718 8.01988 2.00714 -11.2916 -26.2841 8.01986 -26.2842 -20.1252 GPRESSAVG: 2370600 36.0548 1.83629 7.47614 1.74707 -9.38197 -24.3252 6.21575 -27.3433 -19.8955 TIMING: 2370600 CPU: 6870.25, 0.00286937/step Wall: 6870.25, 0.00286937/step, 2.09575 hours remaining, 209.753906 MB of memory in use. ENERGY: 2370600 720.2719 2127.3802 1941.9319 120.3743 -206066.6604 17733.9951 0.0000 0.0000 34165.5247 -149257.1823 298.3760 -183422.7070 -149165.6050 298.9292 32.1390 65.6594 556626.5828 2.1067 2.2591 PRESSURE: 2370800 -131.512 88.6216 -55.2607 88.6214 -22.5981 78.6952 -55.2605 78.6939 124.449 GPRESSURE: 2370800 -54.989 43.1819 -102.363 95.6317 7.34028 144.302 33.5965 50.1221 110.798 PRESSAVG: 2370800 59.4659 -23.3831 11.0476 -23.3831 7.88663 23.6773 11.0476 23.6774 -21.0103 GPRESSAVG: 2370800 60.6175 -23.4439 11.8549 -24.4176 7.59695 24.8161 12.3846 23.9507 -21.2441 TIMING: 2370800 CPU: 6870.83, 0.00287161/step Wall: 6870.83, 0.00287161/step, 2.09723 hours remaining, 209.753906 MB of memory in use. ENERGY: 2370800 754.7564 2116.0945 1958.7934 113.4182 -206116.6491 17719.6559 0.0000 0.0000 34198.8643 -149255.0664 298.6672 -183453.9306 -149160.2477 298.9131 -9.8869 21.0499 556496.7701 15.4474 15.6568 PRESSURE: 2371000 -11.5329 203.515 -82.132 203.516 -89.1854 34.9852 -82.1325 34.9854 9.31612 GPRESSURE: 2371000 50.3517 215.242 -52.1079 156.907 -82.2957 63.2964 -27.3007 50.0592 39.365 PRESSAVG: 2371000 3.32307 38.0589 -5.177 38.0591 -2.47069 44.7171 -5.1771 44.7171 5.40992 GPRESSAVG: 2371000 3.24846 38.5201 -5.94356 36.4281 -3.98841 44.1875 -4.14511 43.8756 6.51125 TIMING: 2371000 CPU: 6871.41, 0.00289287/step Wall: 6871.41, 0.00289287/step, 2.1126 hours remaining, 209.753906 MB of memory in use. ENERGY: 2371000 736.0554 2087.1269 1949.9389 116.3704 -205977.2756 17661.1994 0.0000 0.0000 34387.9648 -149038.6198 300.3186 -183426.5846 -148948.1703 299.5599 -30.4674 2.4737 556376.7071 2.0874 1.9238 PRESSURE: 2371200 -325.122 -99.7065 -102.867 -99.7067 -128.012 -54.2335 -102.87 -54.2333 152.287 GPRESSURE: 2371200 -261.721 -178.646 -56.8019 1.67236 -130.343 -54.5222 -66.411 -149.87 189.582 PRESSAVG: 2371200 4.69486 16.5736 -6.29047 16.5735 27.2862 62.198 -6.2905 62.1978 -33.6322 GPRESSAVG: 2371200 4.60362 17.3301 -5.72297 16.3834 26.6119 61.5332 -6.10339 62.0849 -33.7482 TIMING: 2371200 CPU: 6871.98, 0.0028807/step Wall: 6871.98, 0.0028807/step, 2.10355 hours remaining, 209.808594 MB of memory in use. ENERGY: 2371200 761.6243 2094.5681 1935.8178 104.1410 -205934.1562 17633.2340 0.0000 0.0000 34402.3394 -149002.4317 300.4442 -183404.7710 -148901.2439 300.2803 -100.2825 -67.4938 557348.9810 -0.5504 -0.8442 PRESSURE: 2371400 -234.614 236.587 129.611 236.588 -117.777 -24.1938 129.612 -24.1937 -139.857 GPRESSURE: 2371400 -164.096 227.356 38.1208 95.7744 -81.5894 18.9612 95.8491 -43.5457 -156.516 PRESSAVG: 2371400 -7.5065 33.081 -29.577 33.081 -29.7676 30.0325 -29.5771 30.0325 39.3096 GPRESSAVG: 2371400 -7.75542 33.1162 -30.4638 34.698 -28.8392 30.6187 -31.0533 29.872 38.2069 TIMING: 2371400 CPU: 6872.56, 0.00290512/step Wall: 6872.56, 0.00290512/step, 2.12122 hours remaining, 209.808594 MB of memory in use. ENERGY: 2371400 729.5322 2086.3430 1951.1659 115.2874 -205793.7170 17547.6496 0.0000 0.0000 34172.5659 -149191.1731 298.4375 -183363.7389 -149093.2048 299.7271 -164.0827 -134.0670 557531.6809 0.6785 0.5374 PRESSURE: 2371600 -139.417 49.6975 31.0248 49.6961 -195.351 -8.68392 31.0244 -8.68474 -463.387 GPRESSURE: 2371600 -157.941 41.1472 73.2715 69.0885 -182.026 18.1933 68.8886 -64.5252 -360.665 PRESSAVG: 2371600 29.6975 -16.8402 40.34 -16.8402 19.4773 2.93811 40.34 2.93806 26.1966 GPRESSAVG: 2371600 29.9268 -17.8134 40.3801 -16.8797 19.2293 3.33156 40.1595 0.940747 26.0084 TIMING: 2371600 CPU: 6873.15, 0.00292063/step Wall: 6873.15, 0.00292063/step, 2.13239 hours remaining, 209.808594 MB of memory in use. ENERGY: 2371600 766.0371 2105.0723 1941.8749 125.4423 -205509.1587 17316.4013 0.0000 0.0000 34106.3537 -149147.9771 297.8593 -183254.3308 -149048.3773 299.0891 -266.0519 -233.5441 557067.0290 25.1238 25.0548 PRESSURE: 2371800 -410.787 3.37414 109.164 3.37378 -154.457 -37.0371 109.164 -37.0374 -378.052 GPRESSURE: 2371800 -412.598 10.5141 132.92 -25.3939 -67.2647 -36.2506 47.5549 -30.8524 -365.504 PRESSAVG: 2371800 60.206 -8.25735 43.4389 -8.25744 9.95789 30.2311 43.4389 30.231 -54.9808 GPRESSAVG: 2371800 59.5221 -6.34742 44.3703 -7.95242 10.9661 30.3061 42.8423 31.5865 -55.4627 TIMING: 2371800 CPU: 6873.73, 0.00290232/step Wall: 6873.73, 0.00290232/step, 2.11886 hours remaining, 209.808594 MB of memory in use. ENERGY: 2371800 757.3556 2092.1476 1952.3936 109.6576 -205616.2195 17339.4634 0.0000 0.0000 34217.6206 -149147.5811 298.8310 -183365.2017 -149045.9918 299.3136 -314.4322 -281.7889 557205.1119 5.0610 5.0085 PRESSURE: 2372000 -260.467 106.538 -102.948 106.538 66.3507 -22.7809 -102.948 -22.782 -91.8912 GPRESSURE: 2372000 -212.53 121.778 -21.3786 93.168 85.0547 -89.3148 -147.524 -69.7077 -59.2702 PRESSAVG: 2372000 -6.96401 -8.64999 -51.1405 -8.65003 17.9254 -20.5027 -51.1405 -20.5027 0.659331 GPRESSAVG: 2372000 -7.25858 -10.0251 -51.2847 -8.97657 17.7607 -21.3895 -51.0621 -18.8649 1.49849 TIMING: 2372000 CPU: 6874.31, 0.00290285/step Wall: 6874.31, 0.00290284/step, 2.11908 hours remaining, 209.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2372000 740.0170 2076.9075 1958.1634 118.6256 -205837.1362 17553.9807 0.0000 0.0000 34047.3575 -149342.0846 297.3440 -183389.4421 -149239.6229 298.8189 -95.3359 -62.2486 556807.5859 3.8736 4.0002 PRESSURE: 2372200 66.5403 8.53049 -38.2938 8.53275 -259.611 -77.248 -38.2937 -77.2489 280.358 GPRESSURE: 2372200 119.938 -18.2841 -29.8151 33.6221 -239.923 -58.0393 -80.9486 -69.0092 303.662 PRESSAVG: 2372200 6.84684 27.5097 -24.9907 27.5097 -8.78372 -2.13593 -24.9908 -2.13595 -6.2948 GPRESSAVG: 2372200 8.24222 28.0404 -26.9593 27.0765 -10.6273 -1.26587 -22.3885 -1.6484 -5.80337 TIMING: 2372200 CPU: 6874.89, 0.00289107/step Wall: 6874.89, 0.00289107/step, 2.11032 hours remaining, 209.808594 MB of memory in use. ENERGY: 2372200 751.8177 2039.6024 1955.9287 120.4872 -206417.6418 17790.2673 0.0000 0.0000 34233.5886 -149525.9499 298.9704 -183759.5385 -149432.1526 298.5818 29.0959 61.2258 554650.2515 -2.7439 -2.7295 LDB: ============= START OF LOAD BALANCING ============== 6878.27 LDB: ============== END OF LOAD BALANCING =============== 6878.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6878.27 LDB: ============= START OF LOAD BALANCING ============== 6878.56 LDB: Largest compute 4820 load 0.025259 is 21.5% of average load 0.117721 LDB: Average compute 0.001745 is 1.5% of average load 0.117721 LDB: TIME 6878.56 LOAD: AVG 0.117721 MAX 0.178582 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.629 MB LDB: TIME 6878.56 LOAD: AVG 0.117721 MAX 0.178582 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.629 MB LDB: TIME 6878.56 LOAD: AVG 0.117721 MAX 0.178582 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6878.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6878.57 PRESSURE: 2372400 109.19 -117.82 -106.436 -117.821 41.0519 -84.4051 -106.436 -84.404 -74.1805 GPRESSURE: 2372400 156.035 -109.707 54.7959 -148.044 60.2605 -131.695 -163.536 -54.8222 -34.2005 PRESSAVG: 2372400 47.8804 -17.077 39.0827 -17.0769 -13.149 3.58117 39.0827 3.58111 -24.5794 GPRESSAVG: 2372400 47.0177 -15.7747 41.6212 -17.793 -12.6054 2.79637 36.5921 3.44387 -23.6677 TIMING: 2372400 CPU: 6875.47, 0.00293918/step Wall: 6875.47, 0.00293918/step, 2.14528 hours remaining, 209.992188 MB of memory in use. ENERGY: 2372400 727.7061 2070.2705 1939.0592 118.1192 -206199.7968 17806.9946 0.0000 0.0000 34133.6123 -149404.0349 298.0973 -183537.6472 -149313.0350 298.5380 25.3537 60.6982 556744.3563 3.3840 3.5815 PRESSURE: 2372600 93.4503 -8.14008 -76.9984 -8.14208 145.838 84.5267 -76.9979 84.5271 -0.486101 GPRESSURE: 2372600 141.558 -24.6598 -61.6626 -24.1987 171.935 56.1485 -50.3026 80.7442 36.0923 PRESSAVG: 2372600 36.8916 -27.806 -41.6533 -27.806 -33.7057 -7.76542 -41.6532 -7.76543 -22.939 GPRESSAVG: 2372600 37.6676 -28.4731 -42.213 -27.5282 -32.7234 -6.83417 -42.0496 -7.95061 -24.7849 TIMING: 2372600 CPU: 6876.05, 0.00289735/step Wall: 6876.05, 0.00289735/step, 2.11458 hours remaining, 210.191406 MB of memory in use. ENERGY: 2372600 738.0605 2060.4572 1939.0968 108.3487 -206444.9228 17913.2314 0.0000 0.0000 34193.8983 -149491.8299 298.6238 -183685.7282 -149395.9028 298.1148 79.6008 116.5281 556721.9245 -6.5844 -6.6136 PRESSURE: 2372800 -192.372 -160.137 -114.971 -160.136 -58.1066 79.8677 -114.972 79.8674 74.8294 GPRESSURE: 2372800 -200.14 -120.569 -89.8375 -179.248 -35.6996 132.863 -112.986 56.6701 155.958 PRESSAVG: 2372800 -5.25601 -44.4569 -24.2466 -44.4569 21.8225 6.17147 -24.2466 6.17144 -5.55051 GPRESSAVG: 2372800 -5.34812 -43.8343 -25.4093 -44.2142 21.0343 5.81981 -24.009 5.46131 -4.37666 TIMING: 2372800 CPU: 6876.63, 0.0028939/step Wall: 6876.63, 0.0028939/step, 2.1119 hours remaining, 210.191406 MB of memory in use. ENERGY: 2372800 700.0642 2080.8045 1965.3092 108.5723 -205740.1949 17476.7240 0.0000 0.0000 34043.4656 -149365.2549 297.3101 -183408.7205 -149266.1642 298.2268 -58.5497 -26.6271 556676.4586 3.6720 3.7698 PRESSURE: 2373000 151.711 254.194 -26.2707 254.194 0.642167 -108.129 -26.27 -108.127 -59.8705 GPRESSURE: 2373000 131.901 216.929 14.4216 283.71 35.8665 -139.043 -41.6806 -157.237 20.8657 PRESSAVG: 2373000 44.3756 -24.5107 -45.4149 -24.5106 -27.7863 -35.943 -45.4148 -35.9429 -42.78 GPRESSAVG: 2373000 44.0424 -25.8185 -45.53 -22.6952 -28.2306 -36.9159 -44.8972 -35.3659 -42.4665 TIMING: 2373000 CPU: 6877.21, 0.00289244/step Wall: 6877.21, 0.00289244/step, 2.11067 hours remaining, 210.191406 MB of memory in use. ENERGY: 2373000 743.9183 1997.9184 1946.2814 119.2705 -206317.3142 17858.1360 0.0000 0.0000 34364.5502 -149287.2394 300.1142 -183651.7896 -149196.2914 298.7085 30.8275 62.8778 557808.0840 -8.7302 -8.8849 PRESSURE: 2373200 -230.047 64.1702 66.3018 64.169 -276.637 16.0325 66.3011 16.0351 -13.5235 GPRESSURE: 2373200 -239.282 75.6169 -10.6126 87.1595 -187.373 25.6305 66.3509 54.1337 9.45931 PRESSAVG: 2373200 40.8516 -4.41625 -16.0885 -4.41633 -3.99739 9.06757 -16.0885 9.06756 4.17713 GPRESSAVG: 2373200 40.6957 -5.15935 -16.4736 -4.1524 -3.4278 11.1668 -15.8105 7.07719 3.96708 TIMING: 2373200 CPU: 6877.79, 0.00289063/step Wall: 6877.79, 0.00289063/step, 2.10919 hours remaining, 210.191406 MB of memory in use. ENERGY: 2373200 780.5393 2134.4130 1949.6276 113.1183 -205721.5393 17401.1881 0.0000 0.0000 34217.5329 -149125.1201 298.8302 -183342.6531 -149034.5630 299.3875 -173.4023 -139.0651 557743.4545 13.6771 13.7450 PRESSURE: 2373400 53.6623 141.535 -140.87 141.534 -70.041 -189.206 -140.87 -189.205 -219.408 GPRESSURE: 2373400 90.0944 123.857 -121.3 117.275 -18.3059 -70.7671 -215.678 -182.615 -209.965 PRESSAVG: 2373400 -25.9951 8.621 -30.6293 8.62103 16.3392 13.6151 -30.6293 13.6151 0.324774 GPRESSAVG: 2373400 -25.0163 8.64156 -31.3155 8.24584 16.3797 10.2145 -31.0293 17.2244 -0.999153 TIMING: 2373400 CPU: 6878.37, 0.00290645/step Wall: 6878.37, 0.00290645/step, 2.12058 hours remaining, 210.246094 MB of memory in use. ENERGY: 2373400 758.9292 2081.8279 1990.4771 115.0170 -206005.8838 17625.7170 0.0000 0.0000 34400.6867 -149033.2290 300.4298 -183433.9157 -148937.7351 299.6686 -78.5957 -46.0589 556548.7820 -3.1104 -3.2119 PRESSURE: 2373600 85.8027 -159.079 -73.7962 -159.081 -327.913 -72.3438 -73.7962 -72.3424 32.8364 GPRESSURE: 2373600 104.854 -193.065 -52.5719 -180.734 -258.22 -60.5093 -94.8147 -107.467 49.4971 PRESSAVG: 2373600 10.4056 17.5448 5.68538 17.5448 25.6363 -3.79132 5.68541 -3.79129 -42.3585 GPRESSAVG: 2373600 9.56465 17.2952 8.51794 17.7323 25.3132 -2.49287 6.3848 -6.04893 -41.5003 TIMING: 2373600 CPU: 6878.95, 0.00289697/step Wall: 6878.95, 0.00289697/step, 2.1135 hours remaining, 210.246094 MB of memory in use. ENERGY: 2373600 733.5346 2089.8928 1970.4256 113.5614 -205966.3459 17648.4813 0.0000 0.0000 34320.2779 -149090.1723 299.7275 -183410.4502 -148992.6119 299.6661 -69.7580 -34.6229 556888.7292 -2.1055 -2.2075 PRESSURE: 2373800 46.8074 242.429 92.778 242.43 -77.4022 -41.9258 92.779 -41.9273 33.1131 GPRESSURE: 2373800 88.5816 294.688 35.2144 208.646 -59.7829 -8.10661 97.7045 -56.9154 65.2134 PRESSAVG: 2373800 21.5023 -36.7409 -10.2353 -36.741 12.0359 -15.5751 -10.2352 -15.5751 -23.7268 GPRESSAVG: 2373800 21.63 -36.0897 -12.9541 -37.1093 12.4266 -14.4225 -10.1533 -15.8226 -24.2724 TIMING: 2373800 CPU: 6879.53, 0.00290576/step Wall: 6879.53, 0.00290576/step, 2.11975 hours remaining, 210.246094 MB of memory in use. ENERGY: 2373800 729.1106 2055.6836 1959.8641 118.9808 -206605.7163 17899.1371 0.0000 0.0000 34577.9222 -149265.0179 301.9776 -183842.9401 -149164.6180 299.8839 0.8394 31.3374 556881.5971 3.2705 3.2614 PRESSURE: 2374000 -68.5282 -6.51354 85.0303 -6.51168 -19.4054 52.6382 85.0312 52.6374 183.178 GPRESSURE: 2374000 -64.4473 53.8127 121.015 22.689 30.5099 31.3076 49.3976 42.7191 222.616 PRESSAVG: 2374000 -10.1226 33.1164 8.29533 33.1165 0.05467 -44.713 8.29539 -44.7131 22.0974 GPRESSAVG: 2374000 -10.4029 30.9384 11.2293 32.5144 0.000879921 -47.5252 8.52892 -42.0511 22.3258 TIMING: 2374000 CPU: 6880.11, 0.00291486/step Wall: 6880.11, 0.00291485/step, 2.12622 hours remaining, 210.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2374000 715.4861 2084.5740 1973.7469 112.5657 -206129.3685 17850.3208 0.0000 0.0000 34074.8103 -149317.8648 297.5838 -183392.6750 -149217.7344 298.9594 31.7480 62.8929 557723.5602 4.0098 3.9746 PRESSURE: 2374200 29.9438 -16.1669 -21.3131 -16.1675 -166.552 -67.4042 -21.3137 -67.4062 -42.7715 GPRESSURE: 2374200 100.335 -45.6616 5.91945 4.94354 -152.382 -62.3766 4.6084 -86.5072 -20.5289 PRESSAVG: 2374200 -6.89567 -13.8099 25.4711 -13.8098 -51.7162 -10.2235 25.4711 -10.2235 12.4072 GPRESSAVG: 2374200 -5.4694 -13.0818 23.4367 -14.2571 -52.7554 -8.4048 26.333 -11.8858 12.2496 TIMING: 2374200 CPU: 6880.7, 0.00291226/step Wall: 6880.7, 0.00291226/step, 2.12417 hours remaining, 210.246094 MB of memory in use. ENERGY: 2374200 767.7209 2136.5759 1946.7223 111.3876 -206425.9649 17874.5434 0.0000 0.0000 34302.7772 -149286.2377 299.5747 -183589.0149 -149195.1123 299.3091 -59.7933 -24.1921 557645.8693 -15.4016 -15.3251 PRESSURE: 2374400 -136.952 -146.35 257.107 -146.351 -89.435 -21.5772 257.108 -21.5751 -112.053 GPRESSURE: 2374400 -65.357 -118.695 201.776 -71.8552 -74.9459 18.487 168.348 -82.1845 -101.596 PRESSAVG: 2374400 -16.4553 -32.1658 4.553 -32.1657 -28.0486 -54.7784 4.55303 -54.7784 41.4641 GPRESSAVG: 2374400 -16.57 -32.1372 3.81994 -30.8976 -27.884 -52.7735 2.69535 -54.3712 40.884 TIMING: 2374400 CPU: 6881.28, 0.00290113/step Wall: 6881.28, 0.00290113/step, 2.11589 hours remaining, 210.390625 MB of memory in use. ENERGY: 2374400 751.9110 2105.6015 1942.5109 113.7087 -205816.4444 17591.9819 0.0000 0.0000 34163.5665 -149147.1639 298.3589 -183310.7304 -149050.9806 299.8963 -112.8133 -80.6328 557143.0302 -1.0133 -1.1900 PRESSURE: 2374600 -2.55481 -48.6325 185.77 -48.6328 -369.349 -128.128 185.77 -128.126 281.793 GPRESSURE: 2374600 -11.7473 -25.7894 170.682 -17.5574 -313.009 -51.1688 160.779 -155.385 327.699 PRESSAVG: 2374600 11.0897 -38.1281 38.8526 -38.1281 -51.3461 3.25122 38.8526 3.25113 31.7236 GPRESSAVG: 2374600 10.5453 -37.1546 38.8982 -36.6292 -51.6101 1.94574 40.3131 3.66782 31.9072 TIMING: 2374600 CPU: 6881.86, 0.00291751/step Wall: 6881.86, 0.00291751/step, 2.12768 hours remaining, 210.390625 MB of memory in use. ENERGY: 2374600 793.1347 2045.8164 1981.6451 116.7485 -206249.9621 17775.1452 0.0000 0.0000 34346.8536 -149190.6187 299.9596 -183537.4722 -149092.2726 299.2037 -30.0369 0.9809 557617.2220 -2.8443 -3.0526 PRESSURE: 2374800 -536.674 -93.6244 103.599 -93.6246 -4.22293 7.46093 103.6 7.45811 74.5598 GPRESSURE: 2374800 -416.302 -55.1973 78.4749 -96.8134 4.04285 -37.611 59.0645 66.4363 58.1645 PRESSAVG: 2374800 12.5196 -40.3161 3.63853 -40.3161 -63.8899 -16.8017 3.63861 -16.8018 51.2416 GPRESSAVG: 2374800 11.7019 -41.1911 4.35753 -41.4684 -63.0227 -19.3993 1.77506 -16.2405 51.8542 TIMING: 2374800 CPU: 6882.44, 0.00290258/step Wall: 6882.44, 0.00290258/step, 2.11663 hours remaining, 210.390625 MB of memory in use. ENERGY: 2374800 766.0281 2094.2010 1960.4302 120.0848 -206274.4708 17638.4357 0.0000 0.0000 34532.7239 -149162.5670 301.5829 -183695.2910 -149063.3521 299.2926 -155.4458 -118.0315 557779.2790 -0.0429 0.1778 PRESSURE: 2375000 134.8 5.76881 99.6531 5.76807 -306.543 -15.3238 99.6535 -15.3249 -42.1452 GPRESSURE: 2375000 175.889 32.4985 101.167 29.91 -219.513 -58.9334 82.4499 -2.53198 -64.8081 PRESSAVG: 2375000 -24.0986 -85.7428 13.4914 -85.7428 4.00428 -17.0744 13.4914 -17.0746 48.8925 GPRESSAVG: 2375000 -23.3729 -85.6427 13.3926 -86.7066 4.07364 -13.6983 13.5632 -19.5717 48.0056 TIMING: 2375000 CPU: 6883.02, 0.00290419/step Wall: 6883.02, 0.00290419/step, 2.11764 hours remaining, 210.390625 MB of memory in use. ENERGY: 2375000 746.0083 2118.3547 1957.3046 109.0846 -206325.3786 17814.1763 0.0000 0.0000 34301.9705 -149278.4795 299.5676 -183580.4500 -149180.3286 299.5857 -71.2958 -36.1440 556957.4424 9.5994 9.5688 PRESSURE: 2375200 25.9985 -106.522 70.1731 -106.522 43.8547 214.704 70.173 214.703 -333.165 GPRESSURE: 2375200 66.4362 -126.068 14.41 -39.0175 53.9778 227.619 53.8472 193.053 -278.19 PRESSAVG: 2375200 -13.2401 19.9508 -4.55886 19.9508 14.9958 -20.7974 -4.55886 -20.7974 5.37242 GPRESSAVG: 2375200 -13.5352 17.5289 -5.79651 22.3652 14.6973 -21.3186 -3.55678 -21.047 5.80167 TIMING: 2375200 CPU: 6883.6, 0.00291393/step Wall: 6883.6, 0.00291393/step, 2.12458 hours remaining, 210.390625 MB of memory in use. ENERGY: 2375200 749.6238 2039.8824 1934.9068 102.3847 -206169.9662 17785.0133 0.0000 0.0000 34321.2278 -149236.9274 299.7358 -183558.1552 -149138.2139 298.9229 -87.7706 -52.5919 557735.6574 2.3760 2.3213 PRESSURE: 2375400 56.1149 73.4059 67.835 73.4056 209.25 -25.7195 67.8341 -25.7206 70.0887 GPRESSURE: 2375400 75.2164 73.6824 106.429 53.07 233.906 55.0937 101.06 -0.0312222 110.413 PRESSAVG: 2375400 -61.992 16.2379 5.10524 16.2379 4.17155 15.8933 5.10526 15.8934 22.6012 GPRESSAVG: 2375400 -62.7123 20.4931 5.64345 12.682 4.67366 17.3861 4.87623 16.9943 23.1621 TIMING: 2375400 CPU: 6884.19, 0.00292269/step Wall: 6884.19, 0.00292269/step, 2.13081 hours remaining, 210.390625 MB of memory in use. ENERGY: 2375400 760.5247 2075.3742 1962.9327 117.2882 -206300.6517 17820.4999 0.0000 0.0000 34298.1745 -149265.8575 299.5345 -183564.0320 -149171.2382 298.7334 111.8177 139.8451 555777.9669 -11.7398 -11.6255 PRESSURE: 2375600 -3.93915 -10.3977 117.7 -10.3978 30.2734 88.5417 117.699 88.5428 -180.098 GPRESSURE: 2375600 55.5139 -8.28184 76.1244 12.762 -1.15778 104.857 168.711 46.1377 -106.052 PRESSAVG: 2375600 -16.1683 -26.1275 -34.9605 -26.1275 28.8514 38.0996 -34.9605 38.0996 -6.54965 GPRESSAVG: 2375600 -14.8441 -27.9641 -33.9693 -23.4897 27.986 37.2864 -34.1352 37.5293 -7.29484 TIMING: 2375600 CPU: 6884.77, 0.00290928/step Wall: 6884.77, 0.00290928/step, 2.12086 hours remaining, 210.390625 MB of memory in use. ENERGY: 2375600 744.4298 2111.8816 1943.4586 108.1249 -206302.9450 17877.4044 0.0000 0.0000 34174.1906 -149343.4551 298.4517 -183517.6457 -149252.8686 299.1144 -51.2548 -17.2321 557602.8049 2.0445 1.9490 PRESSURE: 2375800 -140.875 49.8154 -20.1934 49.8164 -242.409 -131.87 -20.1927 -131.87 -30.7339 GPRESSURE: 2375800 -29.2518 -43.3817 -13.9876 72.039 -178.129 -133.276 38.938 -138.538 -107.486 PRESSAVG: 2375800 -43.3969 -54.467 30.6441 -54.4669 30.0055 3.33804 30.6441 3.33808 -51.1296 GPRESSAVG: 2375800 -42.6744 -54.3431 30.8722 -54.1254 29.4381 2.60802 31.1754 4.38394 -51.3089 TIMING: 2375800 CPU: 6885.36, 0.00293577/step Wall: 6885.36, 0.00293577/step, 2.14002 hours remaining, 210.390625 MB of memory in use. ENERGY: 2375800 743.1527 2162.8843 1948.4776 106.5010 -205801.2228 17619.8748 0.0000 0.0000 34037.7637 -149182.5687 297.2603 -183220.3323 -149086.2269 298.8236 -138.0060 -104.9558 559358.3505 -21.5070 -21.5151 PRESSURE: 2376000 -35.7436 150.665 74.1797 150.666 -82.9069 -132.26 74.1788 -132.261 116.457 GPRESSURE: 2376000 -33.1875 111.306 59.7833 105.847 -14.0933 -62.952 19.9508 -134.416 154.621 PRESSAVG: 2376000 -16.6452 -29.4095 48.6136 -29.4095 -19.5441 -38.4212 48.6136 -38.4211 26.1787 GPRESSAVG: 2376000 -17.3016 -31.2755 46.6255 -28.8466 -18.8879 -38.5992 49.4649 -38.0211 26.1591 TIMING: 2376000 CPU: 6885.94, 0.00291152/step Wall: 6885.94, 0.00291152/step, 2.12218 hours remaining, 210.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2376000 722.2260 2085.0020 1981.2617 122.3542 -205975.6489 17644.3041 0.0000 0.0000 34503.3606 -148917.1402 301.3264 -183420.5009 -148819.3780 299.8742 -0.7311 35.7801 556820.9447 -3.3369 -3.3435 PRESSURE: 2376200 2.98448 -23.8025 -23.0986 -23.8044 231.242 -84.9022 -23.0983 -84.9014 -58.4157 GPRESSURE: 2376200 47.0758 -3.07225 18.424 -84.6546 240.321 -1.37792 -18.8241 -131.92 -32.4689 PRESSAVG: 2376200 -28.017 -6.85207 34.6942 -6.85212 -6.14576 -1.40574 34.6943 -1.40579 25.5673 GPRESSAVG: 2376200 -27.4499 -3.81259 35.5463 -8.41902 -6.13547 0.747715 33.574 -2.54657 24.3914 TIMING: 2376200 CPU: 6886.52, 0.0029/step Wall: 6886.52, 0.0029/step, 2.11362 hours remaining, 210.390625 MB of memory in use. ENERGY: 2376200 746.9578 2103.0810 1945.2029 119.1641 -206079.4994 17914.3078 0.0000 0.0000 34335.6401 -148915.1457 299.8617 -183250.7858 -148819.7652 300.3007 58.6037 84.9760 557664.6133 -2.8652 -3.0647 LDB: ============= START OF LOAD BALANCING ============== 6889.91 LDB: ============== END OF LOAD BALANCING =============== 6889.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6889.91 LDB: ============= START OF LOAD BALANCING ============== 6890.2 LDB: Largest compute 4820 load 0.026483 is 22.5% of average load 0.117829 LDB: Average compute 0.001755 is 1.5% of average load 0.117829 LDB: TIME 6890.2 LOAD: AVG 0.117829 MAX 0.182502 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.68 MB LDB: TIME 6890.2 LOAD: AVG 0.117829 MAX 0.182502 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.68 MB LDB: TIME 6890.2 LOAD: AVG 0.117829 MAX 0.182502 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6890.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6890.21 PRESSURE: 2376400 -369.09 -18.9557 122.476 -18.9555 -140.951 -21.7048 122.476 -21.7037 -21.9843 GPRESSURE: 2376400 -375.947 -79.0127 178.832 -14.2214 -21.357 -7.94859 58.1745 -7.07195 -47.7435 PRESSAVG: 2376400 10.2671 -17.8241 4.27975 -17.8242 -8.43127 0.268389 4.27984 0.268406 3.30381 GPRESSAVG: 2376400 10.0607 -20.7168 3.90975 -16.2384 -8.2083 -1.46233 4.29989 -2.04377 3.71985 TIMING: 2376400 CPU: 6887.11, 0.00296509/step Wall: 6887.11, 0.00296509/step, 2.16089 hours remaining, 209.492188 MB of memory in use. ENERGY: 2376400 779.2776 2087.3063 1934.9243 125.4609 -205821.8258 17503.5418 0.0000 0.0000 34433.4898 -148957.8250 300.7162 -183391.3148 -148859.2257 300.7073 -177.3418 -148.3492 558764.9884 1.7132 1.8574 PRESSURE: 2376600 -18.6313 82.7701 -94.6677 82.7698 -111.121 39.8532 -94.6676 39.8515 88.3267 GPRESSURE: 2376600 42.5684 -17.4898 -123.814 156.378 -63.4291 31.8504 -109.136 -4.70027 72.2586 PRESSAVG: 2376600 -19.1388 -16.5915 -22.6238 -16.5914 56.6894 -42.074 -22.6238 -42.074 3.48516 GPRESSAVG: 2376600 -18.4165 -13.9398 -21.4537 -20.84 56.6719 -40.7299 -22.4878 -41.9118 3.20638 TIMING: 2376600 CPU: 6887.7, 0.00291525/step Wall: 6887.7, 0.00291525/step, 2.12441 hours remaining, 209.695312 MB of memory in use. ENERGY: 2376600 738.6147 2085.9574 1926.8047 100.8323 -206120.8767 17815.1724 0.0000 0.0000 34421.9399 -149031.5554 300.6154 -183453.4952 -148935.6030 299.9761 -13.8084 17.1326 558539.0447 13.6786 13.8206 PRESSURE: 2376800 -167.248 14.4964 -97.2935 14.4975 -78.2492 -46.2665 -97.2944 -46.2671 4.58815 GPRESSURE: 2376800 -88.6216 88.1849 -170.577 66.3294 -40.2132 -59.0481 -93.7487 -85.4636 -18.3336 PRESSAVG: 2376800 12.1505 -13.2581 -16.1839 -13.258 -15.8014 -26.1172 -16.1838 -26.1172 71.1671 GPRESSAVG: 2376800 11.8048 -13.8989 -18.7517 -11.57 -15.5251 -27.0188 -16.7922 -24.2948 71.291 TIMING: 2376800 CPU: 6888.28, 0.0029024/step Wall: 6888.28, 0.0029024/step, 2.11488 hours remaining, 209.695312 MB of memory in use. ENERGY: 2376800 758.7991 1989.5889 1946.7443 117.6887 -205663.8918 17571.0526 0.0000 0.0000 34470.2400 -148809.7782 301.0372 -183280.0182 -148711.9450 300.5165 -80.3032 -49.0561 557751.5274 22.5054 22.5235 PRESSURE: 2377000 43.2001 -43.0355 138.789 -43.037 -26.9305 -81.7303 138.789 -81.7306 -229.885 GPRESSURE: 2377000 85.1018 7.7349 89.7522 -23.5732 -26.2421 -41.6126 188.552 -92.2821 -166.895 PRESSAVG: 2377000 16.5036 -10.3001 -70.6021 -10.3001 45.7761 -31.4413 -70.6022 -31.4412 -27.211 GPRESSAVG: 2377000 16.0807 -12.7517 -67.7602 -8.98763 45.6727 -30.3278 -69.802 -30.254 -26.8111 TIMING: 2377000 CPU: 6888.85, 0.002893/step Wall: 6888.85, 0.002893/step, 2.10787 hours remaining, 209.695312 MB of memory in use. ENERGY: 2377000 761.4468 2081.5864 1967.3984 110.4272 -205807.1139 17672.0016 0.0000 0.0000 34257.7953 -148956.4582 299.1818 -183214.2535 -148860.5177 299.9146 -71.2051 -36.0117 558124.1190 11.6896 11.6474 PRESSURE: 2377200 -68.0701 53.1778 -24.7894 53.1776 -129.69 37.1144 -24.7897 37.1138 -259.769 GPRESSURE: 2377200 -79.2552 100.536 -22.3905 37.6171 -85.2722 90.4699 -122.493 9.90526 -195.262 PRESSAVG: 2377200 53.8985 -23.1815 -24.173 -23.1815 24.3163 -44.2586 -24.173 -44.2586 -66.9635 GPRESSAVG: 2377200 55.0788 -20.483 -25.6181 -23.6225 24.075 -46.3733 -24.3942 -44.8951 -66.9578 TIMING: 2377200 CPU: 6889.44, 0.00291571/step Wall: 6889.44, 0.00291571/step, 2.12426 hours remaining, 209.695312 MB of memory in use. ENERGY: 2377200 749.0266 2074.3423 1945.7509 112.4282 -205731.8812 17529.5922 0.0000 0.0000 34278.3564 -149042.3845 299.3614 -183320.7409 -148947.7391 299.8314 -152.5100 -119.9297 558146.8261 3.7504 4.0653 PRESSURE: 2377400 -79.6136 26.0835 -146.167 26.0849 -54.9442 175.564 -146.169 175.565 -119.212 GPRESSURE: 2377400 -54.0977 8.35899 -217.541 40.8731 10.8761 219.059 -95.5795 60.3576 -113.06 PRESSAVG: 2377400 -11.8587 19.3026 -2.23917 19.3027 22.319 41.261 -2.2392 41.2611 -29.9429 GPRESSAVG: 2377400 -13.8691 18.3383 -0.54678 18.6668 22.9661 41.3651 -1.114 41.4871 -28.9277 TIMING: 2377400 CPU: 6890.02, 0.00292695/step Wall: 6890.02, 0.00292695/step, 2.13229 hours remaining, 209.695312 MB of memory in use. ENERGY: 2377400 776.1257 2155.4538 1945.7541 120.8355 -206201.5878 17775.1304 0.0000 0.0000 34330.4781 -149097.8102 299.8166 -183428.2883 -149002.4055 299.4765 -84.5901 -52.0940 557134.9046 -6.4942 -6.6102 PRESSURE: 2377600 28.4113 -52.9816 86.2706 -52.9829 187.415 11.4633 86.2705 11.4644 -77.271 GPRESSURE: 2377600 -1.18143 2.94775 109.993 -34.095 251.346 56.4299 34.2236 -17.8433 -11.6437 PRESSAVG: 2377600 -43.0583 -9.62282 29.7097 -9.62268 32.22 52.3006 29.7097 52.3007 35.1146 GPRESSAVG: 2377600 -42.073 -9.12491 28.8799 -10.3757 31.7815 53.5673 29.2809 50.5292 34.6651 TIMING: 2377600 CPU: 6890.61, 0.002914/step Wall: 6890.61, 0.002914/step, 2.12269 hours remaining, 209.695312 MB of memory in use. ENERGY: 2377600 753.7770 2110.2586 1966.6869 110.9981 -206063.6897 17582.1348 0.0000 0.0000 34456.8535 -149082.9807 300.9203 -183539.8342 -148978.6739 299.0312 46.1851 79.5070 556652.5349 8.0921 8.1245 PRESSURE: 2377800 359.19 -220.13 230.988 -220.129 -57.2432 -66.5762 230.988 -66.5773 -86.9002 GPRESSURE: 2377800 355.739 -133.632 233.51 -156.409 7.85678 -70.423 248.636 -101.123 -47.6975 PRESSAVG: 2377800 14.5985 26.5755 28.8222 26.5755 27.2021 33.5309 28.8221 33.5309 -14.4326 GPRESSAVG: 2377800 14.1297 24.6454 27.9445 30.0478 26.9041 34.1706 27.8571 33.0093 -13.3101 TIMING: 2377800 CPU: 6891.19, 0.00290168/step Wall: 6891.19, 0.00290168/step, 2.11355 hours remaining, 209.695312 MB of memory in use. ENERGY: 2377800 756.3576 2112.6132 2001.4731 124.2937 -206537.8587 18045.6380 0.0000 0.0000 34242.7516 -149254.7314 299.0505 -183497.4830 -149158.2508 299.7722 71.6823 105.2995 555591.1125 9.1227 9.2413 PRESSURE: 2378000 -92.0767 -59.3544 -28.6459 -59.3549 -46.6765 50.52 -28.6455 50.52 -32.2889 GPRESSURE: 2378000 -30.919 -83.8328 9.82623 2.41412 -1.42109 121.924 -80.0586 -5.53834 -45.2111 PRESSAVG: 2378000 19.0034 11.0022 37.678 11.0022 1.84096 -0.404005 37.678 -0.403979 -28.0476 GPRESSAVG: 2378000 19.0923 10.513 40.8421 10.6478 1.6276 -1.82418 35.4576 0.479126 -28.3273 TIMING: 2378000 CPU: 6891.77, 0.00290832/step Wall: 6891.77, 0.00290832/step, 2.11823 hours remaining, 209.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2378000 755.1916 2117.0381 1952.5431 103.9294 -206085.5304 17484.3722 0.0000 0.0000 34353.2021 -149319.2540 300.0151 -183672.4561 -149226.6220 299.0937 -57.0140 -25.8504 556364.7886 -2.4011 -2.5358 PRESSURE: 2378200 212.125 -19.4237 74.7272 -19.4232 80.4727 -92.6964 74.7276 -92.6955 271.108 GPRESSURE: 2378200 255.964 -0.434179 8.51638 -31.0722 120.518 -71.8769 66.595 -168.365 283.977 PRESSAVG: 2378200 36.4474 6.40877 38.6943 6.40871 -12.7145 -27.0936 38.6943 -27.0936 -48.8243 GPRESSAVG: 2378200 36.8226 8.88045 35.4488 4.51965 -12.9987 -27.6016 41.2059 -27.1248 -49.557 TIMING: 2378200 CPU: 6892.35, 0.00288982/step Wall: 6892.35, 0.00288982/step, 2.10459 hours remaining, 209.695312 MB of memory in use. ENERGY: 2378200 745.7989 2062.2181 1933.9512 111.1079 -206263.7969 17962.8319 0.0000 0.0000 34089.0773 -149358.8117 297.7084 -183447.8890 -149266.6618 298.4928 187.9019 220.1528 555463.2295 -8.3638 -8.5777 PRESSURE: 2378400 -248.351 70.9094 98.7918 70.9086 -395.223 61.8577 98.7906 61.8568 -249.408 GPRESSURE: 2378400 -192.097 142.698 24.3728 107.56 -385.885 -9.51545 84.3482 84.7764 -220.824 PRESSAVG: 2378400 3.09072 26.8048 0.221165 26.8049 54.8938 48.7042 0.221116 48.7041 -30.5907 GPRESSAVG: 2378400 2.59558 26.7512 0.737247 26.2411 55.0406 50.0989 -1.55551 47.7464 -30.224 TIMING: 2378400 CPU: 6892.92, 0.0028802/step Wall: 6892.92, 0.0028802/step, 2.09742 hours remaining, 209.695312 MB of memory in use. ENERGY: 2378400 772.2777 2031.3980 1951.0354 101.7756 -205543.7179 17410.8373 0.0000 0.0000 34045.5306 -149230.8634 297.3281 -183276.3941 -149137.5218 298.4303 -297.6608 -266.2686 559699.4074 9.1313 9.1374 PRESSURE: 2378600 -269.14 95.9227 100.037 95.9226 -434.877 -103.364 100.036 -103.366 -127.252 GPRESSURE: 2378600 -191.111 50.4092 200.043 101.622 -435.854 -33.7705 33.968 -71.0182 -117.977 PRESSAVG: 2378600 47.2047 8.682 11.3017 8.68204 -8.99182 -1.29755 11.3017 -1.29754 -52.7094 GPRESSAVG: 2378600 47.2817 6.41882 12.256 9.21821 -10.1539 -1.02172 11.2692 -1.61903 -51.7169 TIMING: 2378600 CPU: 6893.5, 0.00290219/step Wall: 6893.5, 0.00290219/step, 2.11328 hours remaining, 209.695312 MB of memory in use. ENERGY: 2378600 738.1277 2044.4606 1932.3246 120.0760 -205910.4854 17425.7364 0.0000 0.0000 34318.4482 -149331.3119 299.7115 -183649.7601 -149237.7738 298.8106 -277.0894 -248.3140 557994.7373 -4.8322 -4.8630 PRESSURE: 2378800 -89.6686 67.7985 37.8494 67.7987 -91.8924 43.3992 37.8492 43.3999 9.53742 GPRESSURE: 2378800 -102.058 -0.790015 75.8591 108.045 -72.6474 70.1076 56.5392 -35.3236 104.632 PRESSAVG: 2378800 55.3013 9.55834 63.9606 9.55831 -48.438 -63.2167 63.9606 -63.2166 -8.56256 GPRESSAVG: 2378800 54.1491 9.16185 62.2552 12.2381 -47.4335 -64.0173 65.4795 -60.1091 -8.39977 TIMING: 2378800 CPU: 6894.08, 0.00289713/step Wall: 6894.08, 0.00289713/step, 2.10943 hours remaining, 209.695312 MB of memory in use. ENERGY: 2378800 736.2987 2152.7374 1962.9728 116.6855 -206230.9262 17929.5141 0.0000 0.0000 33957.1790 -149375.5387 296.5565 -183332.7177 -149283.8610 298.9767 -57.3412 -23.3579 558512.4022 -0.5664 -0.5614 PRESSURE: 2379000 47.0635 54.0237 170.336 54.0234 -169.534 165.221 170.336 165.22 31.3819 GPRESSURE: 2379000 104.617 122.055 149.306 3.64967 -180.642 232.837 100.358 62.989 92.4137 PRESSAVG: 2379000 -14.0633 7.74289 27.6657 7.74283 -18.8666 14.6288 27.6657 14.6287 29.1651 GPRESSAVG: 2379000 -13.5065 8.02229 28.53 4.92798 -18.9278 16.068 27.615 12.0321 28.5565 TIMING: 2379000 CPU: 6894.66, 0.00291136/step Wall: 6894.66, 0.00291136/step, 2.11964 hours remaining, 209.695312 MB of memory in use. ENERGY: 2379000 764.5471 2120.6466 1936.3066 114.0734 -206267.3897 17870.3281 0.0000 0.0000 34271.3142 -149190.1738 299.2999 -183461.4880 -149101.5427 299.1376 -30.3628 5.4629 558704.3896 -1.2549 -1.2926 PRESSURE: 2379200 -47.8329 -305.955 90.528 -305.955 -9.42598 16.8807 90.5296 16.88 -182.975 GPRESSURE: 2379200 -22.1779 -372.423 39.7273 -197.206 46.41 81.8738 109.575 -20.3473 -167.819 PRESSAVG: 2379200 -1.71297 -11.7731 15.5254 -11.7731 -13.1288 39.9227 15.5254 39.9228 29.5884 GPRESSAVG: 2379200 -0.484359 -11.638 15.3005 -10.7198 -13.403 38.5471 14.6296 39.1298 28.5654 TIMING: 2379200 CPU: 6895.24, 0.0029022/step Wall: 6895.24, 0.0029022/step, 2.1128 hours remaining, 209.695312 MB of memory in use. ENERGY: 2379200 732.2098 2126.6512 1950.1297 107.0814 -206360.8254 17733.6445 0.0000 0.0000 34318.6345 -149392.4743 299.7132 -183711.1089 -149296.9700 298.4231 -80.0780 -47.8624 557887.7064 4.9155 4.8927 PRESSURE: 2379400 49.0307 -88.3507 -51.2124 -88.3514 -184.245 -23.3374 -51.2118 -23.3382 183.324 GPRESSURE: 2379400 133.973 -92.0634 5.77139 -33.6935 -186.761 -109.291 13.6402 -15.3776 189.022 PRESSAVG: 2379400 14.2561 -46.9926 30.5586 -46.9925 -35.2158 26.7154 30.5587 26.7154 33.6553 GPRESSAVG: 2379400 13.2101 -45.1455 30.5171 -47.8703 -34.7422 26.6732 32.5387 26.8678 34.48 TIMING: 2379400 CPU: 6895.82, 0.00286975/step Wall: 6895.82, 0.00286975/step, 2.08902 hours remaining, 209.695312 MB of memory in use. ENERGY: 2379400 737.4443 2108.4169 1951.7577 116.7086 -206185.1236 17837.6528 0.0000 0.0000 34041.6957 -149391.4476 297.2946 -183433.1433 -149292.8595 298.2065 16.0367 45.4113 558746.2310 4.2319 4.3160 PRESSURE: 2379600 -38.0792 95.4472 -27.1773 95.4476 99.6636 71.5887 -27.1773 71.5896 -88.1314 GPRESSURE: 2379600 -10.7056 163.47 -60.5049 31.8552 94.1472 61.0048 -13.4551 45.4298 -16.2168 PRESSAVG: 2379600 1.4985 -26.5307 12.2995 -26.5307 -42.2544 -65.3183 12.2995 -65.3184 42.0108 GPRESSAVG: 2379600 1.3551 -28.7056 13.7054 -27.6334 -42.6071 -65.3976 9.06383 -63.7602 42.1219 TIMING: 2379600 CPU: 6896.4, 0.00289042/step Wall: 6896.4, 0.00289042/step, 2.10391 hours remaining, 209.695312 MB of memory in use. ENERGY: 2379600 750.8911 2076.0759 1950.3146 112.0551 -206578.4429 17920.9696 0.0000 0.0000 34146.9529 -149621.1836 298.2138 -183768.1365 -149525.6903 298.6548 -8.8490 22.4083 557106.0769 0.4183 0.2900 PRESSURE: 2379800 23.4019 16.7743 94.8333 16.7739 154.569 69.0098 94.8336 69.0086 -114.058 GPRESSURE: 2379800 44.0946 -5.64909 96.9156 83.4427 173.905 -18.5845 126.92 35.1119 -75.8237 PRESSAVG: 2379800 -10.5064 -11.8833 16.1478 -11.8833 45.7403 0.607859 16.1477 0.607884 42.123 GPRESSAVG: 2379800 -10.6158 -11.3157 15.835 -10.2347 46.1139 1.87745 18.1859 -0.986055 42.1828 TIMING: 2379800 CPU: 6896.98, 0.00290824/step Wall: 6896.98, 0.00290824/step, 2.11671 hours remaining, 209.695312 MB of memory in use. ENERGY: 2379800 743.6725 2087.6300 1950.0402 130.8959 -206636.2624 17881.0140 0.0000 0.0000 34194.5862 -149648.4235 298.6298 -183843.0097 -149546.9791 298.2932 21.3044 47.3919 556983.0906 25.7857 25.8936 PRESSURE: 2380000 249.969 45.9603 24.3394 45.9607 158.156 -14.992 24.3396 -14.9914 0.855802 GPRESSURE: 2380000 307.001 18.1876 114.642 106.097 142.23 -30.6923 5.55563 -22.1901 56.3047 PRESSAVG: 2380000 63.3254 -9.8494 -53.5104 -9.8494 -18.4864 -15.4126 -53.5104 -15.4128 -61.8322 GPRESSAVG: 2380000 63.7107 -9.8766 -51.7258 -9.91729 -18.284 -16.2751 -52.6785 -15.8041 -61.7235 TIMING: 2380000 CPU: 6897.56, 0.00290713/step Wall: 6897.56, 0.00290713/step, 2.11574 hours remaining, 209.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2380000 698.9228 2137.8341 1938.9046 114.1933 -206780.1452 18218.7149 0.0000 0.0000 34087.0444 -149584.5311 297.6906 -183671.5755 -149485.2555 298.4212 136.3270 168.5121 558132.7510 -5.6644 -5.4323 PRESSURE: 2380200 140.468 -82.0013 -106.64 -82.0011 70.6707 -21.5804 -106.639 -21.5819 17.0222 GPRESSURE: 2380200 217.082 -4.87523 -182.392 -137.876 80.4667 -71.6461 -62.0368 -16.8265 32.6743 PRESSAVG: 2380200 2.76089 39.1263 -49.1391 39.1263 55.1398 16.263 -49.139 16.2631 -43.5426 GPRESSAVG: 2380200 3.34859 39.3105 -50.4426 38.3503 52.6714 15.8574 -48.7035 17.946 -42.0367 TIMING: 2380200 CPU: 6898.14, 0.00289721/step Wall: 6898.14, 0.00289721/step, 2.10836 hours remaining, 209.695312 MB of memory in use. ENERGY: 2380200 711.2822 2125.7931 1953.4877 117.1801 -206531.4497 17919.1782 0.0000 0.0000 34112.9649 -149591.5634 297.9170 -183704.5284 -149494.0166 298.4487 76.0536 110.0745 557248.6968 4.7860 4.6611 LDB: ============= START OF LOAD BALANCING ============== 6901.53 LDB: ============== END OF LOAD BALANCING =============== 6901.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6901.53 LDB: ============= START OF LOAD BALANCING ============== 6901.82 LDB: Largest compute 4820 load 0.025703 is 21.8% of average load 0.117800 LDB: Average compute 0.001757 is 1.5% of average load 0.117800 LDB: TIME 6901.82 LOAD: AVG 0.1178 MAX 0.179998 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 6901.82 LOAD: AVG 0.1178 MAX 0.179998 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: TIME 6901.82 LOAD: AVG 0.1178 MAX 0.179998 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6901.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6901.83 PRESSURE: 2380400 -54.7079 60.291 201.827 60.2912 -90.5092 -39.7599 201.828 -39.7605 -209.942 GPRESSURE: 2380400 -10.8859 35.6406 143.972 10.1662 -71.5119 19.7559 169.01 -71.6896 -169.929 PRESSAVG: 2380400 43.8264 3.28992 -61.0445 3.28996 -41.7534 -6.82891 -61.0446 -6.8289 -33.4205 GPRESSAVG: 2380400 42.8781 2.50167 -60.2351 4.05688 -38.585 -4.96611 -61.829 -5.37092 -35.5803 TIMING: 2380400 CPU: 6898.73, 0.00296437/step Wall: 6898.73, 0.00296437/step, 2.15708 hours remaining, 209.148438 MB of memory in use. ENERGY: 2380400 765.5121 2131.6619 1960.3791 127.1280 -206497.0111 17874.4848 0.0000 0.0000 34197.8024 -149440.0426 298.6579 -183637.8450 -149349.1191 298.6442 -118.3863 -84.1090 558545.4863 -10.4492 -10.4291 PRESSURE: 2380600 -157.62 -147.525 -47.1451 -147.524 -75.4544 -42.4256 -47.145 -42.4257 -109.908 GPRESSURE: 2380600 -120.401 -186.947 -39.3079 -119.941 -53.9489 -21.1366 -82.7538 -69.7781 -68.5751 PRESSAVG: 2380600 -25.3293 7.29142 -7.91251 7.29143 -35.3644 6.75589 -7.91251 6.75583 23.0936 GPRESSAVG: 2380600 -25.1514 6.77746 -7.87509 7.54526 -35.5749 5.71328 -8.86764 4.49713 23.0539 TIMING: 2380600 CPU: 6899.31, 0.00290162/step Wall: 6899.31, 0.00290162/step, 2.11125 hours remaining, 209.351562 MB of memory in use. ENERGY: 2380600 758.0801 2064.5157 1959.0934 117.2073 -206287.6765 17683.8424 0.0000 0.0000 34270.0506 -149434.8869 299.2889 -183704.9376 -149347.6060 299.3261 -114.3274 -80.9750 557331.2678 -12.5334 -12.5575 PRESSURE: 2380800 -86.0761 116.017 113.972 116.018 -97.9319 -154.706 113.971 -154.705 -272.429 GPRESSURE: 2380800 -84.4935 100.562 77.3368 40.6423 -25.9977 -137.646 170.076 -92.0637 -255.887 PRESSAVG: 2380800 7.80981 -37.6987 17.2303 -37.6987 15.2053 -22.9792 17.2304 -22.9791 45.1876 GPRESSAVG: 2380800 8.94737 -35.6382 17.5304 -38.0003 14.1176 -23.1965 18.7426 -23.5467 44.908 TIMING: 2380800 CPU: 6899.89, 0.00289283/step Wall: 6899.89, 0.00289283/step, 2.1047 hours remaining, 209.351562 MB of memory in use. ENERGY: 2380800 759.5387 2084.6164 1989.1133 109.7879 -206379.6476 17668.7196 0.0000 0.0000 34215.2779 -149552.5939 298.8105 -183767.8717 -149460.1667 298.7980 -152.1457 -122.1262 556388.2797 22.7342 22.6576 PRESSURE: 2381000 -98.082 132.869 -61.5529 132.87 -31.8066 177.289 -61.5532 177.29 276.576 GPRESSURE: 2381000 -70.7634 150.712 -111.29 128.347 -14.4969 201.659 -59.9473 172.471 304.092 PRESSAVG: 2381000 26.0377 15.9035 -26.6021 15.9034 13.7225 42.3788 -26.6021 42.3788 -13.1564 GPRESSAVG: 2381000 23.6376 12.842 -26.8257 17.5786 14.8075 42.4478 -26.6753 44.8082 -12.2857 TIMING: 2381000 CPU: 6900.47, 0.00289785/step Wall: 6900.47, 0.00289784/step, 2.10818 hours remaining, 209.351562 MB of memory in use. ENERGY: 2381000 709.8489 2118.1193 1934.6728 127.8013 -206506.6761 17867.7216 0.0000 0.0000 34207.5354 -149540.9769 298.7429 -183748.5123 -149446.5251 298.5374 48.8957 72.9440 557795.9325 8.8680 8.7198 PRESSURE: 2381200 -65.7493 -7.73974 56.4294 -7.73981 351.911 93.7114 56.4304 93.7133 -13.0768 GPRESSURE: 2381200 -6.20779 -44.3992 31.1707 -15.2972 369.171 156.37 97.5346 120.541 8.00222 PRESSAVG: 2381200 37.0196 3.55836 -47.0905 3.55833 -6.86235 -1.86447 -47.0905 -1.86446 -10.4326 GPRESSAVG: 2381200 36.7653 6.08219 -47.0019 1.4501 -7.45057 -3.10676 -46.5039 -1.40249 -9.33488 TIMING: 2381200 CPU: 6901.05, 0.00290658/step Wall: 6901.05, 0.00290658/step, 2.11438 hours remaining, 209.351562 MB of memory in use. ENERGY: 2381200 715.6665 2113.4833 1970.4931 104.9764 -206252.5333 17848.8348 0.0000 0.0000 34176.6267 -149322.4525 298.4730 -183499.0792 -149231.0230 299.3001 91.0283 123.6552 558389.8628 6.5749 6.6600 PRESSURE: 2381400 47.4283 52.8346 168.162 52.8345 124.324 -22.7697 168.164 -22.77 -168.051 GPRESSURE: 2381400 58.1062 84.5706 161.686 35.7694 204.731 -95.0292 254.779 33.0935 -153.032 PRESSAVG: 2381400 -62.5094 -31.7235 22.6649 -31.7234 42.8316 -47.0918 22.6649 -47.0918 19.5074 GPRESSAVG: 2381400 -61.7096 -33.5498 23.8436 -30.6504 43.502 -46.4212 20.7443 -48.6795 17.7099 TIMING: 2381400 CPU: 6901.63, 0.0028922/step Wall: 6901.63, 0.0028922/step, 2.10375 hours remaining, 209.351562 MB of memory in use. ENERGY: 2381400 723.9533 2093.7725 1997.5072 109.5694 -206165.4232 17705.3312 0.0000 0.0000 34209.4663 -149325.8233 298.7598 -183535.2897 -149219.7786 299.0574 1.2339 36.6016 557721.5156 -0.0568 -0.1659 PRESSURE: 2381600 16.9786 43.8712 78.4781 43.8726 -105.841 -104.562 78.479 -104.563 -101.808 GPRESSURE: 2381600 88.9079 18.7192 69.0213 11.9494 -130.277 -135.293 -27.7635 -129.52 -64.9353 PRESSAVG: 2381600 -47.0849 -15.9593 -15.9783 -15.9593 49.133 15.9589 -15.9783 15.9589 23.8565 GPRESSAVG: 2381600 -47.0031 -15.429 -16.4695 -15.8164 47.6591 17.3492 -16.4499 14.2194 25.07 TIMING: 2381600 CPU: 6902.21, 0.00290568/step Wall: 6902.21, 0.00290568/step, 2.1134 hours remaining, 209.593750 MB of memory in use. ENERGY: 2381600 768.7035 2064.9945 1971.3372 118.0528 -206272.8077 17760.6820 0.0000 0.0000 34242.8415 -149346.1960 299.0513 -183589.0375 -149246.8645 299.0718 -63.5569 -35.4348 557067.7381 8.6349 8.5753 PRESSURE: 2381800 -225.792 106.554 135.857 106.554 53.4337 60.3123 135.856 60.3126 -30.5389 GPRESSURE: 2381800 -161.91 -1.74258 93.4817 214.764 36.1994 -5.61084 68.0977 96.7562 23.3628 PRESSAVG: 2381800 11.4473 9.80277 20.823 9.80278 31.2982 38.7973 20.823 38.7973 -67.2895 GPRESSAVG: 2381800 10.929 7.80454 18.5689 9.83616 31.2123 36.763 20.5372 39.6993 -67.3591 TIMING: 2381800 CPU: 6902.79, 0.002899/step Wall: 6902.79, 0.002899/step, 2.10838 hours remaining, 209.593750 MB of memory in use. ENERGY: 2381800 757.1496 2106.9101 1971.4424 119.7458 -206670.2622 18014.3151 0.0000 0.0000 34332.1451 -149368.5542 299.8312 -183700.6993 -149278.2808 299.8588 -67.6324 -34.1160 558491.6395 -8.1814 -8.4059 PRESSURE: 2382000 -86.469 1.29238 150 1.29367 -131.605 78.5772 150 78.5775 74.3103 GPRESSURE: 2382000 -9.23758 19.4812 101.475 -18.5777 -141.272 123.959 131.41 97.0791 122.651 PRESSAVG: 2382000 -38.8106 18.7077 26.8592 18.7077 28.5161 41.0726 26.8592 41.0726 0.941788 GPRESSAVG: 2382000 -38.3386 21.0095 29.036 18.2244 29.0328 42.3575 27.6341 41.3648 0.225668 TIMING: 2382000 CPU: 6903.37, 0.00289691/step Wall: 6903.37, 0.00289691/step, 2.10669 hours remaining, 209.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2382000 711.2419 2135.2610 1956.2013 118.5057 -206402.7949 17744.3162 0.0000 0.0000 34359.8788 -149377.3900 300.0734 -183737.2688 -149280.2715 299.4814 -47.9213 -9.2862 558227.2369 -3.1176 -3.0267 PRESSURE: 2382200 -85.5681 -170.419 -69.58 -170.418 -53.3324 -138.511 -69.5806 -138.512 167.882 GPRESSURE: 2382200 -47.3224 -123.794 19.8095 -183.451 -14.981 -50.7122 -126.623 -216.491 190.745 PRESSAVG: 2382200 26.7865 -55.3621 -38.255 -55.3622 -11.3037 12.9009 -38.255 12.9009 49.535 GPRESSAVG: 2382200 26.9716 -54.1387 -41.5387 -57.9603 -11.2969 13.462 -37.4673 12.7185 49.3467 TIMING: 2382200 CPU: 6903.95, 0.00292041/step Wall: 6903.95, 0.00292041/step, 2.12363 hours remaining, 209.593750 MB of memory in use. ENERGY: 2382200 763.1710 2116.2925 1973.4068 123.8907 -206170.1236 17750.9374 0.0000 0.0000 34137.6710 -149304.7542 298.1328 -183442.4253 -149217.8163 298.8770 9.6603 42.8139 557024.0393 21.6726 21.6738 PRESSURE: 2382400 151.811 204.883 74.5874 204.885 112.233 -40.3867 74.5872 -40.3895 -5.61073 GPRESSURE: 2382400 148.733 261.959 25.1718 199.756 150.329 16.0332 40.2749 -71.5148 52.7833 PRESSAVG: 2382400 41.2772 -30.9473 -35.6724 -30.9472 -17.5646 5.35376 -35.6724 5.35379 -13.3437 GPRESSAVG: 2382400 41.9807 -31.6103 -35.2838 -29.3419 -18.2463 5.07302 -34.7893 4.08998 -13.3139 TIMING: 2382400 CPU: 6904.54, 0.00295107/step Wall: 6904.54, 0.00295107/step, 2.14576 hours remaining, 209.593750 MB of memory in use. ENERGY: 2382400 678.8511 2043.4138 1987.7529 121.7344 -206319.5365 17740.1988 0.0000 0.0000 34356.2632 -149391.3221 300.0418 -183747.5853 -149296.3427 298.5258 86.1444 117.2817 558196.6334 3.4563 3.4735 PRESSURE: 2382600 -95.9498 227.886 30.6788 227.888 76.1901 3.32879 30.679 3.33019 61.2598 GPRESSURE: 2382600 -101.793 217.441 -6.06268 173.179 144.659 -68.2217 54.8737 -7.21468 109.567 PRESSAVG: 2382600 30.1482 35.2621 -25.2751 35.2622 13.6855 -31.033 -25.2751 -31.033 -36.4473 GPRESSAVG: 2382600 31.6632 33.7563 -24.188 36.4534 13.9831 -31.1038 -24.6844 -29.3703 -38.319 TIMING: 2382600 CPU: 6905.13, 0.00291992/step Wall: 6905.13, 0.00291992/step, 2.12294 hours remaining, 209.593750 MB of memory in use. ENERGY: 2382600 737.4573 2110.1465 1973.1156 110.6662 -206319.9308 17837.2093 0.0000 0.0000 33920.1238 -149631.2120 296.2329 -183551.3359 -149527.7004 297.8576 13.8334 50.8112 556911.8581 2.4621 2.4424 PRESSURE: 2382800 -180.749 38.4456 -112.374 38.4463 46.6375 -12.1956 -112.373 -12.195 -157.338 GPRESSURE: 2382800 -154.906 104.464 -143.363 6.4975 56.0386 46.9679 -140.002 -84.1853 -84.8383 PRESSAVG: 2382800 -80.8642 -10.4826 26.0396 -10.4826 79.4337 -1.00669 26.0396 -1.00667 -47.1944 GPRESSAVG: 2382800 -82.912 -8.89706 26.0851 -11.0194 78.7172 0.369321 23.6587 -2.39804 -44.5574 TIMING: 2382800 CPU: 6905.71, 0.00291913/step Wall: 6905.71, 0.00291913/step, 2.12221 hours remaining, 209.593750 MB of memory in use. ENERGY: 2382800 755.5176 2142.3692 1957.1506 122.9149 -206137.5414 17539.9165 0.0000 0.0000 34005.3521 -149614.3205 296.9772 -183619.6726 -149524.5514 298.4162 -97.1496 -61.2352 556722.9760 -16.2083 -16.2507 PRESSURE: 2383000 45.0157 94.1182 -188.522 94.1185 70.2842 -21.4636 -188.521 -21.4661 -8.51704 GPRESSURE: 2383000 96.3659 86.0072 -191.84 68.2595 94.4541 -33.1198 -173.658 27.7302 29.0887 PRESSAVG: 2383000 -9.95997 -33.7506 -32.9099 -33.7506 84.6161 -25.8844 -32.9098 -25.8845 -29.4146 GPRESSAVG: 2383000 -9.94077 -32.3275 -33.4802 -34.0807 85.3781 -27.9378 -29.8554 -25.6494 -30.1629 TIMING: 2383000 CPU: 6906.29, 0.00290888/step Wall: 6906.29, 0.00290888/step, 2.11459 hours remaining, 209.593750 MB of memory in use. ENERGY: 2383000 798.3001 2024.1088 1974.9463 112.4592 -206644.9947 17897.7081 0.0000 0.0000 34331.4623 -149506.0099 299.8252 -183837.4722 -149405.8759 298.7139 35.5943 73.3029 555249.9443 15.0805 15.0915 PRESSURE: 2383200 -46.1216 -115.616 151.381 -115.617 -53.8168 179.756 151.382 179.755 27.3217 GPRESSURE: 2383200 -39.014 -109.677 235.202 -173.72 -25.7077 75.5124 96.0469 305.65 89.7971 PRESSAVG: 2383200 -97.1789 10.645 -1.43107 10.645 94.45 18.1497 -1.43107 18.1497 28.9752 GPRESSAVG: 2383200 -98.438 10.4238 1.43076 9.97301 94.5585 16.92 -3.04808 19.1988 29.7634 TIMING: 2383200 CPU: 6906.87, 0.00290256/step Wall: 6906.87, 0.00290256/step, 2.10984 hours remaining, 209.593750 MB of memory in use. ENERGY: 2383200 786.9995 1983.2181 1960.5968 122.1436 -206336.9851 17874.2140 0.0000 0.0000 34141.2863 -149468.5268 298.1643 -183609.8131 -149371.6446 298.4464 -24.2056 8.3585 556244.8906 8.7487 8.6280 PRESSURE: 2383400 211.482 -24.757 -60.0701 -24.7552 214.897 -3.72779 -60.07 -3.72834 -109.668 GPRESSURE: 2383400 264.075 106.755 -100.378 -102.467 256.315 -73.1575 -52.9709 -46.1441 -116.636 PRESSAVG: 2383400 -10.8281 0.510318 25.5666 0.510282 -0.124558 44.0679 25.5667 44.0679 -20.8845 GPRESSAVG: 2383400 -9.47291 -1.11837 22.5321 -0.278083 -0.796485 44.354 27.1007 43.9021 -21.693 TIMING: 2383400 CPU: 6907.46, 0.00291035/step Wall: 6907.46, 0.00291035/step, 2.11534 hours remaining, 209.593750 MB of memory in use. ENERGY: 2383400 718.5635 2076.1599 1962.2788 99.4832 -206460.1938 17897.9517 0.0000 0.0000 34391.5749 -149314.1818 300.3502 -183705.7567 -149223.1905 298.9276 105.5702 134.5849 557371.1084 -10.6124 -10.6541 PRESSURE: 2383600 -3.55743 68.1012 228.601 68.1002 -31.2188 -10.9883 228.601 -10.9881 -95.5148 GPRESSURE: 2383600 -32.5536 110.859 238.788 29.8843 41.9192 -53.6675 164.874 -41.2617 -38.5847 PRESSAVG: 2383600 3.21484 -7.4565 28.3746 -7.45645 -39.948 -47.0759 28.3747 -47.0759 22.2678 GPRESSAVG: 2383600 2.48311 -6.91678 31.2683 -7.25224 -39.4254 -44.1161 27.3311 -48.4678 22.6869 TIMING: 2383600 CPU: 6908.04, 0.00289408/step Wall: 6908.04, 0.00289408/step, 2.10335 hours remaining, 209.593750 MB of memory in use. ENERGY: 2383600 744.1822 2064.3098 1973.2828 122.7864 -205942.5224 17442.0144 0.0000 0.0000 34124.2528 -149471.6940 298.0156 -183595.9468 -149377.0948 299.0357 -43.4303 -9.7397 555714.7762 -4.8218 -4.7518 PRESSURE: 2383800 -72.1223 65.7701 27.9791 65.7699 -199.916 -87.8895 27.9791 -87.8899 -127.332 GPRESSURE: 2383800 37.3666 120.067 23.337 34.6053 -214.209 -131.134 35.7142 -39.4647 -123.295 PRESSAVG: 2383800 49.7648 -30.9429 6.87404 -30.943 -78.4806 -35.0178 6.874 -35.0178 60.564 GPRESSAVG: 2383800 49.7122 -28.875 6.37568 -31.0342 -78.1872 -37.3137 7.02798 -32.7658 60.3213 TIMING: 2383800 CPU: 6908.62, 0.00290228/step Wall: 6908.62, 0.00290228/step, 2.10915 hours remaining, 209.593750 MB of memory in use. ENERGY: 2383800 791.3789 2081.3179 1941.4203 115.5127 -206012.6781 17636.0751 0.0000 0.0000 34133.2033 -149313.7698 298.0938 -183446.9732 -149220.6431 299.1595 -133.1234 -100.0459 557146.6758 10.6161 10.6154 PRESSURE: 2384000 -401.24 -11.9055 -12.4619 -11.9068 -108.951 -168.991 -12.463 -168.99 -218.815 GPRESSURE: 2384000 -343.521 -118.866 57.6748 23.4158 -100.732 -143.177 -90.2227 -88.6883 -188.678 PRESSAVG: 2384000 -1.80978 71.1095 15.8739 71.1094 -9.51155 -21.7153 15.8739 -21.7153 4.7422 GPRESSAVG: 2384000 -2.21505 68.925 13.5107 71.313 -8.34147 -19.6848 15.2197 -23.4702 3.49564 TIMING: 2384000 CPU: 6909.2, 0.00290495/step Wall: 6909.2, 0.00290495/step, 2.11093 hours remaining, 209.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2384000 751.0887 2041.9905 1939.4688 123.7073 -205935.1078 17377.5514 0.0000 0.0000 34398.0122 -149303.2889 300.4064 -183701.3011 -149208.0566 299.3492 -243.0019 -210.9773 556604.7003 -2.1930 -2.3536 PRESSURE: 2384200 -39.3261 -147.891 144.806 -147.891 5.4105 -11.8605 144.806 -11.8608 169.783 GPRESSURE: 2384200 -26.0147 -275.108 144.944 -36.3891 58.7528 -47.1668 111.245 15.4512 222.75 PRESSAVG: 2384200 -24.7379 -15.2936 -13.3347 -15.2936 17.0206 10.917 -13.3346 10.9169 47.4948 GPRESSAVG: 2384200 -23.5713 -14.2042 -12.3384 -15.3296 15.7299 10.1499 -14.9082 12.1495 47.5967 TIMING: 2384200 CPU: 6909.77, 0.0028846/step Wall: 6909.77, 0.0028846/step, 2.09598 hours remaining, 209.593750 MB of memory in use. ENERGY: 2384200 783.2327 2095.6304 1972.2676 121.0909 -206762.0128 18103.1401 0.0000 0.0000 34430.7816 -149255.8695 300.6926 -183686.6511 -149151.6174 299.3064 45.2891 85.1627 556568.1192 13.2591 13.2518 LDB: ============= START OF LOAD BALANCING ============== 6913.16 LDB: ============== END OF LOAD BALANCING =============== 6913.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6913.16 LDB: ============= START OF LOAD BALANCING ============== 6913.45 LDB: Largest compute 4820 load 0.026048 is 22.1% of average load 0.117899 LDB: Average compute 0.001762 is 1.5% of average load 0.117899 LDB: TIME 6913.45 LOAD: AVG 0.117899 MAX 0.178373 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.957 MB LDB: TIME 6913.45 LOAD: AVG 0.117899 MAX 0.178373 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: TIME 6913.45 LOAD: AVG 0.117899 MAX 0.178373 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6913.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6913.46 PRESSURE: 2384400 -140.623 -13.4924 -155.215 -13.4923 -208.587 -132.204 -155.215 -132.204 -488.708 GPRESSURE: 2384400 -160.675 65.6585 -237.859 -43.6125 -198.832 -128.144 -119.571 -133.109 -370.887 PRESSAVG: 2384400 -22.5916 -15.3672 -19.333 -15.3672 2.66773 33.3879 -19.3329 33.3878 39.7516 GPRESSAVG: 2384400 -24.1298 -17.4265 -19.1742 -13.9167 4.5815 32.0741 -18.0887 31.8392 39.7511 TIMING: 2384400 CPU: 6910.36, 0.0029506/step Wall: 6910.36, 0.0029506/step, 2.14377 hours remaining, 209.234375 MB of memory in use. ENERGY: 2384400 770.9571 2055.5745 1947.2220 109.9280 -205774.2052 17473.5809 0.0000 0.0000 34141.2300 -149275.7126 298.1639 -183416.9427 -149172.0384 299.1416 -279.3061 -243.4646 558237.2995 6.6092 6.7342 PRESSURE: 2384600 178.875 -87.5737 76.436 -87.5738 35.3094 120.146 76.4352 120.148 -129.139 GPRESSURE: 2384600 165.638 -160.262 -22.4417 -78.156 72.7508 173.141 126.833 70.4603 -56.5301 PRESSAVG: 2384600 31.1505 5.06752 -10.3628 5.06753 -1.73269 6.23484 -10.3628 6.23485 12.2484 GPRESSAVG: 2384600 32.4856 5.78648 -9.85751 5.00753 -2.95469 7.21693 -9.60931 6.25921 11.8346 TIMING: 2384600 CPU: 6910.94, 0.00289545/step Wall: 6910.94, 0.00289545/step, 2.10354 hours remaining, 209.476562 MB of memory in use. ENERGY: 2384600 699.8218 2038.3659 1958.0869 113.8682 -205958.9461 17678.6941 0.0000 0.0000 34222.5221 -149247.5869 298.8738 -183470.1091 -149159.4010 298.8679 28.3487 60.6194 557260.7136 13.8887 13.7885 PRESSURE: 2384800 -104.596 -20.0588 50.9777 -20.0579 -181.345 -33.3774 50.978 -33.3786 149.229 GPRESSURE: 2384800 -90.224 -47.5239 78.6465 40.0303 -160.77 -18.6741 10.6888 -51.9327 218.261 PRESSAVG: 2384800 -21.1779 42.3701 0.995129 42.3702 28.4971 -48.66 0.995106 -48.66 35.9614 GPRESSAVG: 2384800 -21.7079 42.1469 -1.07472 41.5672 29.0105 -48.478 2.02188 -47.0313 35.9533 TIMING: 2384800 CPU: 6911.53, 0.00291559/step Wall: 6911.53, 0.00291559/step, 2.11801 hours remaining, 209.632812 MB of memory in use. ENERGY: 2384800 763.7458 2079.7043 1931.7014 107.5128 -206379.4176 17901.2981 0.0000 0.0000 34421.3738 -149174.0814 300.6104 -183595.4552 -149076.8750 299.0505 -45.5708 -10.9108 558100.1564 14.4269 14.4186 PRESSURE: 2385000 -136.095 -191.425 -72.9886 -191.425 -90.6364 -52.0295 -72.9886 -52.029 -137.338 GPRESSURE: 2385000 -33.8072 -137.123 15.613 -165.32 -90.4726 -3.20585 -63.6464 -90.2434 -130.617 PRESSAVG: 2385000 26.6696 22.0207 -17.6317 22.0208 -4.39173 -23.7926 -17.6317 -23.7926 -0.415427 GPRESSAVG: 2385000 25.8536 22.4574 -15.2398 22.1788 -4.16646 -25.5938 -19.3761 -23.3871 -0.245997 TIMING: 2385000 CPU: 6912.11, 0.00290405/step Wall: 6912.11, 0.00290405/step, 2.10947 hours remaining, 209.632812 MB of memory in use. ENERGY: 2385000 722.5761 2067.2244 1973.3967 108.7495 -205961.7615 17701.0473 0.0000 0.0000 34116.1067 -149272.6609 297.9444 -183388.7676 -149178.5123 299.0385 -121.3565 -84.9657 557922.9512 7.2875 7.1471 PRESSURE: 2385200 148.288 -61.4055 130.958 -61.4053 98.1078 32.5076 130.959 32.507 238.989 GPRESSURE: 2385200 197.523 -14.3294 85.2997 -62.0042 168.659 94.1419 94.3566 25.3568 225.047 PRESSAVG: 2385200 34.8507 27.1372 -59.7614 27.1373 14.8485 -19.8451 -59.7614 -19.8451 -34.8377 GPRESSAVG: 2385200 35.1186 27.5523 -63.6469 27.2423 12.8511 -16.9993 -59.062 -20.9397 -33.2948 TIMING: 2385200 CPU: 6912.68, 0.00287967/step Wall: 6912.68, 0.00287967/step, 2.0916 hours remaining, 209.632812 MB of memory in use. ENERGY: 2385200 741.7294 2071.6516 1961.0114 108.2473 -206170.1391 17865.4192 0.0000 0.0000 34195.7546 -149226.3256 298.6400 -183422.0802 -149133.5331 298.6501 161.7950 197.0760 555865.9120 4.9539 4.8916 PRESSURE: 2385400 135.13 -38.7642 -27.223 -38.7646 -53.5647 -48.6314 -27.2238 -48.6294 -38.7881 GPRESSURE: 2385400 158.505 -99.8658 -59.3099 36.0207 -42.9041 -93.6274 -3.73415 -3.65256 17.0714 PRESSAVG: 2385400 25.0904 -15.9679 -36.3934 -15.968 -21.2675 35.2953 -36.3935 35.2954 5.56703 GPRESSAVG: 2385400 25.1322 -17.1758 -35.7441 -14.7737 -20.1436 34.6922 -36.1066 35.0253 4.49005 TIMING: 2385400 CPU: 6913.26, 0.00288756/step Wall: 6913.26, 0.00288756/step, 2.09717 hours remaining, 209.632812 MB of memory in use. ENERGY: 2385400 758.1652 2062.0769 1958.4681 109.3198 -206232.7414 17835.3193 0.0000 0.0000 34152.2803 -149357.1118 298.2604 -183509.3921 -149256.8484 299.1296 14.2590 44.2242 558634.5889 3.1300 3.1596 PRESSURE: 2385600 42.0051 -91.2648 17.8607 -91.2666 37.6086 15.4242 17.862 15.4252 -109.512 GPRESSURE: 2385600 46.67 -76.6873 17.7666 -148.444 34.8289 4.58256 8.68229 -25.0541 -15.9531 PRESSAVG: 2385600 -24.396 15.4989 -21.4419 15.499 0.132695 39.4785 -21.442 39.4785 -0.739426 GPRESSAVG: 2385600 -25.521 16.914 -20.1312 13.5207 1.76621 39.4996 -21.9441 38.9875 -0.572355 TIMING: 2385600 CPU: 6913.84, 0.00289226/step Wall: 6913.84, 0.00289226/step, 2.10043 hours remaining, 209.632812 MB of memory in use. ENERGY: 2385600 748.9592 2118.8518 1948.1116 111.8794 -206116.4277 17727.5676 0.0000 0.0000 34018.9206 -149442.1375 297.0957 -183461.0581 -149352.8961 298.5200 -9.9661 21.8486 556838.3131 -8.3342 -8.1090 PRESSURE: 2385800 -178.634 21.3711 -109.244 21.3713 105.316 -187.759 -109.243 -187.758 29.0154 GPRESSURE: 2385800 -153.61 -78.2041 -115.771 46.9421 115.025 -155.394 -124.9 -186.509 71.4127 PRESSAVG: 2385800 54.923 -21.5196 27.6281 -21.5196 30.6461 -23.4083 27.628 -23.4082 -46.4523 GPRESSAVG: 2385800 55.9516 -22.6056 27.8532 -21.2216 29.536 -23.9937 27.392 -25.2776 -46.5087 TIMING: 2385800 CPU: 6914.41, 0.00287736/step Wall: 6914.41, 0.00287736/step, 2.08944 hours remaining, 209.632812 MB of memory in use. ENERGY: 2385800 754.8949 2049.8379 1968.5797 111.8847 -206308.6797 17893.7830 0.0000 0.0000 34287.0265 -149242.6730 299.4371 -183529.6995 -149146.6680 298.4489 -14.7674 10.9423 556781.1316 13.0389 12.9929 PRESSURE: 2386000 -40.1059 92.5389 73.0649 92.5397 108.786 -49.8807 73.0667 -49.8796 -136.371 GPRESSURE: 2386000 -42.666 59.677 42.6366 -6.60685 140.37 -57.7655 106.4 -80.361 -75.0487 PRESSAVG: 2386000 -5.19582 42.7233 20.8334 42.7233 64.1699 -14.6755 20.8335 -14.6753 -75.6888 GPRESSAVG: 2386000 -5.26248 41.7131 20.5111 43.458 64.1855 -15.0049 20.5034 -10.6577 -75.6208 TIMING: 2386000 CPU: 6914.99, 0.00286937/step Wall: 6914.99, 0.00286937/step, 2.08348 hours remaining, 209.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2386000 756.6776 2085.3559 1967.2628 94.3524 -206260.3663 17774.2062 0.0000 0.0000 34315.0741 -149267.4374 299.6821 -183582.5115 -149173.3866 299.3715 -22.5637 7.5517 556625.3933 -5.5716 -5.5659 PRESSURE: 2386200 -6.06989 -170.321 173.859 -170.32 94.5297 127.933 173.859 127.934 -81.2526 GPRESSURE: 2386200 2.3219 -185.481 174.633 -96.797 130.351 148.159 144.275 155.289 -41.7088 PRESSAVG: 2386200 15.8523 19.173 82.2506 19.1731 14.0527 64.5344 82.2506 64.5345 -17.3344 GPRESSAVG: 2386200 15.9623 20.9155 81.821 18.999 13.4475 65.4548 82.5291 60.7185 -16.751 TIMING: 2386200 CPU: 6915.56, 0.00288052/step Wall: 6915.56, 0.00288052/step, 2.09142 hours remaining, 209.632812 MB of memory in use. ENERGY: 2386200 752.6501 2111.2344 1945.2998 122.3554 -206281.7415 17795.7219 0.0000 0.0000 34350.1224 -149204.3576 299.9882 -183554.4800 -149108.7123 298.8799 2.4024 30.3213 557721.1525 4.1902 4.2196 PRESSURE: 2386400 -167.832 -21.5388 129.144 -21.5383 162.851 69.4071 129.144 69.4072 -221.047 GPRESSURE: 2386400 -149.871 -43.5087 116.401 -93.6719 171.07 72.7159 152.748 186.436 -158.816 PRESSAVG: 2386400 6.39153 17.3132 18.6595 17.3131 59.0885 20.108 18.6594 20.1081 -40.174 GPRESSAVG: 2386400 6.47283 17.1361 19.0719 16.6032 58.914 21.466 18.9594 21.3088 -40.152 TIMING: 2386400 CPU: 6916.14, 0.00288724/step Wall: 6916.14, 0.00288724/step, 2.09614 hours remaining, 209.632812 MB of memory in use. ENERGY: 2386400 716.3475 2111.4593 1961.0112 111.2719 -205812.6589 17634.2901 0.0000 0.0000 34240.7895 -149037.4894 299.0333 -183278.2790 -148941.1077 298.9472 -75.3429 -45.8723 558250.3509 8.4353 8.4116 PRESSURE: 2386600 -297.419 4.56727 -90.2115 4.56846 138.179 -18.5569 -90.212 -18.5553 -184.578 GPRESSURE: 2386600 -244.202 -10.3174 -123.078 37.3119 188.611 51.9631 -56.284 -32.3994 -187.378 PRESSAVG: 2386600 -65.436 -36.6382 -0.643366 -36.6383 15.3682 -24.1639 -0.643385 -24.1639 62.2473 GPRESSAVG: 2386600 -65.5592 -37.0557 0.107215 -35.3223 14.6631 -26.8477 -1.72377 -23.025 63.0895 TIMING: 2386600 CPU: 6916.72, 0.00288041/step Wall: 6916.72, 0.00288041/step, 2.09101 hours remaining, 209.632812 MB of memory in use. ENERGY: 2386600 758.8561 2104.8843 1963.0554 124.5611 -205839.3913 17623.0020 0.0000 0.0000 34191.0505 -149073.9819 298.5989 -183265.0324 -148977.4213 300.0391 -114.6059 -80.9896 557630.8863 4.0598 4.0645 PRESSURE: 2386800 -441.261 92.6101 -71.491 92.6093 -86.5298 -36.0273 -71.492 -36.0283 -48.6442 GPRESSURE: 2386800 -357.878 38.7412 30.1298 34.202 -83.647 -26.6892 -112.97 -38.5487 -39.5044 PRESSAVG: 2386800 -49.4029 62.2722 -66.9026 62.2722 31.3195 1.62633 -66.9025 1.62645 29.2694 GPRESSAVG: 2386800 -48.2944 63.0388 -66.4206 61.315 31.9139 4.32104 -66.5587 -0.431723 27.2497 TIMING: 2386800 CPU: 6917.29, 0.00287657/step Wall: 6917.29, 0.00287657/step, 2.08807 hours remaining, 209.632812 MB of memory in use. ENERGY: 2386800 782.0750 2115.5759 1987.0906 125.5145 -205658.5688 17467.0364 0.0000 0.0000 34231.6869 -148949.5895 298.9538 -183181.2764 -148854.3291 299.2689 -192.1451 -160.3431 558203.9289 3.7287 3.6231 PRESSURE: 2387000 -140.587 -23.8012 -51.575 -23.8 -97.2912 78.9271 -51.5742 78.9273 241 GPRESSURE: 2387000 -127.901 -12.9453 21.2722 -17.2315 -67.9226 139.423 -115.705 128.473 302.21 PRESSAVG: 2387000 -20.6897 25.8353 -7.45616 25.8353 66.6371 15.6292 -7.45614 15.6291 -71.1185 GPRESSAVG: 2387000 -21.5148 25.607 -10.0581 24.9526 66.3608 14.1608 -5.93855 16.0999 -70.4816 TIMING: 2387000 CPU: 6917.87, 0.00287892/step Wall: 6917.87, 0.00287892/step, 2.08962 hours remaining, 209.632812 MB of memory in use. ENERGY: 2387000 718.4734 2065.1788 1944.8986 110.9659 -206084.3107 17948.8495 0.0000 0.0000 34310.6512 -148985.2933 299.6435 -183295.9445 -148892.4179 299.6607 1.0406 35.4620 557256.4871 -8.3904 -8.5452 PRESSURE: 2387200 -73.3557 -117.552 -70.654 -117.553 -89.0539 147.499 -70.6549 147.499 -186.105 GPRESSURE: 2387200 -12.9409 -24.0206 -125.921 -130.796 -9.66243 145.693 -90.6485 156.754 -233.17 PRESSAVG: 2387200 -12.8941 -0.241559 11.9959 -0.241479 -3.75014 48.9755 11.996 48.9755 33.0531 GPRESSAVG: 2387200 -12.6848 0.181956 13.6699 -0.293456 -2.444 49.0153 10.4313 50.6961 31.8449 TIMING: 2387200 CPU: 6918.45, 0.00287902/step Wall: 6918.45, 0.00287902/step, 2.08953 hours remaining, 209.632812 MB of memory in use. ENERGY: 2387200 787.2201 2105.1545 1961.8729 105.5140 -206006.6540 17723.0754 0.0000 0.0000 34311.5553 -149012.2618 299.6513 -183323.8171 -148912.0165 300.5058 -116.1717 -85.2579 558405.0210 5.4696 5.5720 PRESSURE: 2387400 -49.5763 37.1207 68.8369 37.1224 -86.4029 -41.3396 68.8367 -41.3384 -316.867 GPRESSURE: 2387400 6.97264 5.63822 58.2074 83.2824 -71.8235 -12.5526 87.2869 -3.33155 -287.009 PRESSAVG: 2387400 -42.1535 22.9365 41.911 22.9365 66.7149 -47.8115 41.911 -47.8116 -16.747 GPRESSAVG: 2387400 -43.0796 21.8664 40.292 23.925 66.7649 -49.0217 43.0255 -48.7537 -15.7379 TIMING: 2387400 CPU: 6919.02, 0.0028802/step Wall: 6919.02, 0.0028802/step, 2.09022 hours remaining, 209.632812 MB of memory in use. ENERGY: 2387400 772.3160 2113.1413 1958.6840 120.1563 -206057.9989 17708.5837 0.0000 0.0000 34292.1271 -149092.9906 299.4817 -183385.1177 -148995.4319 299.2780 -150.9487 -117.2868 557225.1724 2.6048 2.6491 PRESSURE: 2387600 44.8062 -14.5637 68.7433 -14.5632 136.012 24.4841 68.7442 24.484 226.506 GPRESSURE: 2387600 132.33 -18.4526 34.9391 -26.6344 101.102 12.6133 130.744 130.844 276.017 PRESSAVG: 2387600 -19.1869 -4.91066 53.9055 -4.91065 -43.157 -9.52711 53.9055 -9.5271 57.6434 GPRESSAVG: 2387600 -17.9878 -3.73206 56.179 -3.82467 -43.6032 -7.94897 51.9253 -10.4917 57.0492 TIMING: 2387600 CPU: 6919.6, 0.00289301/step Wall: 6919.6, 0.00289301/step, 2.09936 hours remaining, 209.632812 MB of memory in use. ENERGY: 2387600 752.9556 2065.4621 1949.9526 121.5413 -206502.4993 18166.7963 0.0000 0.0000 34180.9845 -149264.8070 298.5110 -183445.7915 -149173.2376 299.6154 135.7748 169.8164 557406.3121 -1.5668 -1.5139 PRESSURE: 2387800 -186.812 51.9372 -1.49677 51.9372 -3.22716 -149.515 -1.49668 -149.515 366.088 GPRESSURE: 2387800 -157.505 4.88181 -56.1997 135.527 66.1861 -54.2655 66.417 -175.17 351.484 PRESSAVG: 2387800 -8.21961 -28.5307 32.4193 -28.5307 3.42311 4.89856 32.4193 4.89852 2.34463 GPRESSAVG: 2387800 -8.31505 -29.5388 30.1476 -28.2973 1.63527 4.52015 35.1969 4.11066 4.15131 TIMING: 2387800 CPU: 6920.18, 0.00288373/step Wall: 6920.18, 0.00288373/step, 2.09246 hours remaining, 209.632812 MB of memory in use. ENERGY: 2387800 745.7716 2119.8823 1938.1522 119.6248 -206877.2970 18000.0014 0.0000 0.0000 34396.8145 -149557.0502 300.3959 -183953.8647 -149463.1654 299.1466 58.6829 86.7217 556419.0205 -0.8173 -0.8428 PRESSURE: 2388000 -351.542 -135.711 9.82722 -135.71 -65.8131 -142.598 9.82717 -142.597 -317.438 GPRESSURE: 2388000 -347.012 -129.137 1.85516 -190.406 -59.2999 -196.41 -51.4909 -160.149 -236.051 PRESSAVG: 2388000 -74.0234 -57.4978 -25.9385 -57.4978 112.887 2.17401 -25.9386 2.1741 -40.0588 GPRESSAVG: 2388000 -74.6391 -56.23 -24.1558 -59.4729 113.925 0.97901 -27.7052 2.63497 -40.4344 TIMING: 2388000 CPU: 6920.75, 0.00287816/step Wall: 6920.75, 0.00287816/step, 2.08826 hours remaining, 209.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2388000 787.1512 2057.6452 1945.9056 113.3622 -206148.5215 17524.8892 0.0000 0.0000 34251.6193 -149467.9488 299.1279 -183719.5681 -149367.4387 299.2132 -244.9311 -214.1210 557096.7386 -0.3982 -0.3827 PRESSURE: 2388200 -61.6376 -22.7915 23.3407 -22.7906 115.571 -6.91447 23.3401 -6.91514 -101.866 GPRESSURE: 2388200 -26.4403 -51.3163 16.6839 44.3928 151.744 82.1617 16.4773 -19.2147 -67.2585 PRESSAVG: 2388200 56.8461 -22.3801 21.1703 -22.3802 6.28972 20.5619 21.1702 20.5617 -78.9634 GPRESSAVG: 2388200 57.6367 -22.1993 19.6744 -21.2477 5.68375 21.5251 22.533 20.3721 -79.1398 TIMING: 2388200 CPU: 6921.33, 0.00287609/step Wall: 6921.33, 0.00287609/step, 2.0866 hours remaining, 209.632812 MB of memory in use. ENERGY: 2388200 729.5925 2118.0778 1953.0652 118.0954 -206553.8455 17765.2660 0.0000 0.0000 34273.9836 -149595.7651 299.3232 -183869.7486 -149500.2172 298.2524 -15.9776 19.3482 555624.6431 -5.2759 -5.2731 LDB: ============= START OF LOAD BALANCING ============== 6924.71 LDB: ============== END OF LOAD BALANCING =============== 6924.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6924.72 LDB: ============= START OF LOAD BALANCING ============== 6925.01 LDB: Largest compute 4820 load 0.026400 is 22.4% of average load 0.117845 LDB: Average compute 0.001756 is 1.5% of average load 0.117845 LDB: TIME 6925.01 LOAD: AVG 0.117845 MAX 0.183256 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.969 MB LDB: TIME 6925.01 LOAD: AVG 0.117845 MAX 0.183256 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.172 MB LDB: TIME 6925.01 LOAD: AVG 0.117845 MAX 0.183256 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6925.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6925.01 PRESSURE: 2388400 -341.204 61.4956 25.1264 61.4968 -296.28 -66.103 25.1269 -66.103 -217.437 GPRESSURE: 2388400 -226.539 91.1996 -24.4 103.974 -341.878 -135.913 44.2671 -7.97885 -181.889 PRESSAVG: 2388400 100.362 -58.2251 -20.3235 -58.2251 -10.0946 19.6411 -20.3234 19.641 -92.531 GPRESSAVG: 2388400 101.069 -59.9737 -17.7428 -58.5506 -10.2125 19.922 -21.2244 19.2521 -92.8975 TIMING: 2388400 CPU: 6921.92, 0.00295977/step Wall: 6921.92, 0.00295977/step, 2.14715 hours remaining, 209.230469 MB of memory in use. ENERGY: 2388400 727.4255 2134.3692 1967.6059 113.3591 -206416.4118 17516.1147 0.0000 0.0000 34340.1868 -149617.3507 299.9014 -183957.5375 -149514.4983 298.8614 -284.9736 -250.1019 557396.6534 -0.7545 -0.6803 PRESSURE: 2388600 43.3189 9.09061 -64.2253 9.09096 -31.7417 -33.6111 -64.225 -33.6114 79.9172 GPRESSURE: 2388600 123.139 38.1208 -58.4944 51.1516 -77.7693 -35.5063 -103.228 -81.2905 144.098 PRESSAVG: 2388600 14.0436 -56.9278 37.2331 -56.9278 -64.9114 -6.47092 37.2331 -6.47094 30.0614 GPRESSAVG: 2388600 12.9586 -59.271 35.9909 -54.1295 -63.783 -9.1742 37.9513 -4.90219 29.8194 TIMING: 2388600 CPU: 6922.5, 0.0028807/step Wall: 6922.5, 0.0028807/step, 2.08963 hours remaining, 209.371094 MB of memory in use. ENERGY: 2388600 716.9502 2161.7387 1951.4833 99.5887 -206661.4813 17988.9929 0.0000 0.0000 34257.2104 -149485.5170 299.1767 -183742.7273 -149390.1188 298.9590 30.4981 63.1558 556608.5075 -6.9355 -7.0017 PRESSURE: 2388800 -147.72 112.634 -32.3218 112.635 -208.584 -0.872426 -32.3222 -0.872287 -150.583 GPRESSURE: 2388800 -60.8521 109.688 -102.046 106.407 -214.645 30.901 19.8769 28.1003 -135.366 PRESSAVG: 2388800 1.23971 -11.8845 4.30947 -11.8846 1.11372 19.7088 4.30952 19.7089 4.87727 GPRESSAVG: 2388800 0.311642 -9.95821 4.99155 -14.6961 0.60003 19.4009 2.23668 18.4227 6.10099 TIMING: 2388800 CPU: 6923.07, 0.00287272/step Wall: 6923.07, 0.00287272/step, 2.08368 hours remaining, 209.371094 MB of memory in use. ENERGY: 2388800 744.7375 2066.6872 1988.3451 110.4872 -206275.1448 17543.4049 0.0000 0.0000 34273.3413 -149548.1418 299.3176 -183821.4830 -149448.3390 299.2059 -168.9624 -136.9543 555982.5980 2.4102 2.3376 PRESSURE: 2389000 -63.0391 37.4244 -127.708 37.4241 -108.119 17.7057 -127.707 17.7054 -302.924 GPRESSURE: 2389000 -81.3002 -29.5493 -88.4397 10.2572 -7.64263 -3.26878 -87.5933 18.5832 -294.204 PRESSAVG: 2389000 -27.8348 -25.9137 9.10099 -25.9137 32.0453 -18.4912 9.10096 -18.4911 7.75911 GPRESSAVG: 2389000 -26.9563 -24.9798 7.35451 -26.9719 32.07 -18.8353 11.5669 -17.1969 6.1262 TIMING: 2389000 CPU: 6923.65, 0.00288803/step Wall: 6923.65, 0.00288803/step, 2.09462 hours remaining, 209.371094 MB of memory in use. ENERGY: 2389000 782.9136 2155.7321 2012.4708 107.1588 -206009.0173 17421.1248 0.0000 0.0000 34168.8852 -149360.7319 298.4054 -183529.6172 -149259.4578 298.6505 -158.0275 -127.7155 556329.5899 3.9899 3.7466 PRESSURE: 2389200 -230.519 -40.848 -40.4965 -40.8492 -205.858 136.636 -40.4963 136.634 -19.9294 GPRESSURE: 2389200 -196.788 34.2879 -17.6347 -9.57369 -190.798 212.145 -4.83035 150.751 40.289 PRESSAVG: 2389200 -10.1629 9.47129 34.7489 9.47125 -11.0427 6.56052 34.7489 6.56052 15.7987 GPRESSAVG: 2389200 -10.1484 10.9377 33.1073 11.1703 -11.387 10.8683 35.739 3.57943 17.0789 TIMING: 2389200 CPU: 6924.22, 0.00287214/step Wall: 6924.22, 0.00287214/step, 2.08294 hours remaining, 209.371094 MB of memory in use. ENERGY: 2389200 768.3496 2150.1614 1946.3492 116.5065 -206002.0306 17557.0804 0.0000 0.0000 34087.9492 -149375.6342 297.6985 -183463.5834 -149271.2387 299.0273 -152.1024 -115.7657 556375.2928 -1.8023 -1.4855 PRESSURE: 2389400 65.8651 128.757 50.1044 128.757 -84.5243 -27.5809 50.1051 -27.5812 40.954 GPRESSURE: 2389400 65.4485 87.0045 -58.8918 61.7097 -25.3904 -30.956 111.04 -130.792 85.1288 PRESSAVG: 2389400 -53.993 25.4509 -41.348 25.4509 63.14 4.38423 -41.348 4.38431 27.7897 GPRESSAVG: 2389400 -53.3613 23.6607 -38.7204 23.8236 63.2812 1.31828 -44.4848 5.79301 26.9495 TIMING: 2389400 CPU: 6924.79, 0.00285313/step Wall: 6924.79, 0.00285313/step, 2.06899 hours remaining, 209.371094 MB of memory in use. ENERGY: 2389400 753.2624 2107.0624 1978.5684 122.2045 -206378.6742 17905.8745 0.0000 0.0000 34261.4552 -149250.2469 299.2138 -183511.7021 -149153.2785 299.0372 7.4316 41.7290 556790.1035 12.3122 12.2898 PRESSURE: 2389600 50.546 -104.829 -17.8763 -104.828 21.405 90.5166 -17.8761 90.5179 93.812 GPRESSURE: 2389600 32.3489 -68.5311 -0.31095 -144.885 73.449 125.189 -8.31335 58.2605 152.525 PRESSAVG: 2389600 4.07717 -6.87366 -28.6524 -6.87347 -0.391655 -11.5172 -28.6524 -11.517 -15.6399 GPRESSAVG: 2389600 3.64186 -5.47571 -28.7783 -6.47352 -0.812349 -8.52298 -27.4871 -12.7526 -15.2608 TIMING: 2389600 CPU: 6925.37, 0.00286233/step Wall: 6925.37, 0.00286233/step, 2.07551 hours remaining, 209.371094 MB of memory in use. ENERGY: 2389600 768.4091 2128.0452 1992.8988 124.4589 -206099.5093 17876.0740 0.0000 0.0000 34117.2624 -149092.3610 297.9545 -183209.6233 -148994.5810 299.4754 55.2543 86.1077 558340.3243 -3.9848 -4.1438 PRESSURE: 2389800 103.689 38.6836 107.602 38.6828 59.2692 68.6154 107.601 68.6154 28.4356 GPRESSURE: 2389800 177.484 -36.5353 104.773 54.5544 123.824 -18.1542 88.0317 208.143 9.46379 PRESSAVG: 2389800 22.7869 -31.2911 5.75302 -31.291 42.9817 24.3174 5.75305 24.3174 -76.3103 GPRESSAVG: 2389800 23.4663 -32.1523 3.78189 -31.9636 42.9488 21.5578 6.27417 27.3093 -76.3781 TIMING: 2389800 CPU: 6925.94, 0.00286689/step Wall: 6925.94, 0.00286689/step, 2.07865 hours remaining, 209.371094 MB of memory in use. ENERGY: 2389800 760.5685 2100.2302 1963.7091 120.9304 -206355.2416 17995.7553 0.0000 0.0000 34258.8152 -149155.2329 299.1908 -183414.0481 -149059.5000 299.6513 63.7980 103.5905 557639.0074 -3.5139 -3.3210 PRESSURE: 2390000 271.664 -81.5512 -47.6721 -81.5508 155.886 -123.461 -47.6737 -123.462 158.532 GPRESSURE: 2390000 325.927 -121.121 -110.709 -29.4021 211.994 -160.226 -6.7625 -108.731 157.359 PRESSAVG: 2390000 46.4533 24.7712 33.3304 24.771 4.22106 -57.9636 33.3305 -57.9637 -42.7353 GPRESSAVG: 2390000 44.5477 26.1061 34.2653 25.5662 5.48107 -57.8536 32.5544 -57.8316 -41.8103 TIMING: 2390000 CPU: 6926.52, 0.00290184/step Wall: 6926.52, 0.00290184/step, 2.10383 hours remaining, 209.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2390000 741.8069 2164.7665 1965.9413 110.5898 -206721.3791 18016.4217 0.0000 0.0000 34555.6655 -149166.1875 301.7832 -183721.8530 -149067.2105 299.5308 195.3603 231.7599 555970.6368 2.6463 2.7395 PRESSURE: 2390200 -214.735 60.1277 49.5832 60.1269 15.0164 -2.48722 49.5819 -2.48632 117.538 GPRESSURE: 2390200 -164.266 68.0888 26.27 16.1703 48.7916 15.4885 137.572 32.3358 117.358 PRESSAVG: 2390200 -21.6835 28.2131 -2.24374 28.2132 -35.4036 -22.0083 -2.24371 -22.0083 -11.9037 GPRESSAVG: 2390200 -20.7725 29.2641 -1.98202 27.1897 -37.0397 -21.4835 -0.941427 -21.92 -11.6957 TIMING: 2390200 CPU: 6927.1, 0.00290251/step Wall: 6927.1, 0.00290251/step, 2.10416 hours remaining, 209.371094 MB of memory in use. ENERGY: 2390200 820.8038 2091.3382 1983.0152 102.2347 -206199.5526 17991.6152 0.0000 0.0000 34286.4095 -148924.1359 299.4317 -183210.5454 -148831.0723 299.8796 -27.3938 0.6278 557674.4932 -22.9969 -23.1693 PRESSURE: 2390400 270.147 52.5429 -16.9589 52.5444 218.748 140.317 -16.9599 140.316 211.747 GPRESSURE: 2390400 306.595 90.5986 6.15165 -11.5961 190.09 100.973 -19.5367 142.668 311.311 PRESSAVG: 2390400 -1.11905 76.697 5.8144 76.697 16.3793 9.34688 5.8144 9.34699 -1.51502 GPRESSAVG: 2390400 -1.7432 75.3787 6.12401 76.8794 17.2222 10.8597 4.66488 9.06395 -1.86396 TIMING: 2390400 CPU: 6927.68, 0.00288606/step Wall: 6927.68, 0.00288606/step, 2.09207 hours remaining, 209.371094 MB of memory in use. ENERGY: 2390400 731.1255 2096.6981 1996.0343 101.8733 -206277.9647 18155.7932 0.0000 0.0000 34074.2792 -149122.1612 297.5792 -183196.4404 -149025.1140 298.8627 233.5469 269.3320 557641.2455 4.5817 4.5383 PRESSURE: 2390600 -118.729 53.8151 -307.272 53.8156 -172.376 127.446 -307.272 127.447 -13.4176 GPRESSURE: 2390600 -73.0406 84.1785 -324.398 -21.1982 -211.543 197.008 -321.288 125.226 73.3911 PRESSAVG: 2390600 -22.7774 48.2044 -56.5587 48.2043 12.7321 68.1787 -56.5587 68.1788 -30.3351 GPRESSAVG: 2390600 -23.8687 48.8961 -56.8912 47.0046 12.6663 68.0329 -55.2614 66.1306 -29.9483 TIMING: 2390600 CPU: 6928.25, 0.00288088/step Wall: 6928.25, 0.00288088/step, 2.08816 hours remaining, 209.371094 MB of memory in use. ENERGY: 2390600 750.0932 2098.8170 1946.4777 125.5431 -206137.9307 17711.9709 0.0000 0.0000 34291.6547 -149213.3741 299.4775 -183505.0287 -149115.5840 299.3142 -101.5075 -70.3976 557789.0946 -13.4601 -13.7169 PRESSURE: 2390800 -145.441 165.068 -164.611 165.066 -91.4036 79.9314 -164.612 79.9313 -293.463 GPRESSURE: 2390800 -116.894 61.2184 -74.5417 126.428 -20.3763 -26.7412 -240.863 105.192 -307.605 PRESSAVG: 2390800 -7.77137 41.6444 -26.3882 41.6444 21.1317 26.5888 -26.3882 26.5887 3.63099 GPRESSAVG: 2390800 -5.05207 41.1596 -26.7447 43.553 18.6411 24.8287 -27.6578 27.8599 3.23703 TIMING: 2390800 CPU: 6928.83, 0.00287698/step Wall: 6928.83, 0.00287698/step, 2.08517 hours remaining, 209.441406 MB of memory in use. ENERGY: 2390800 751.4146 2126.3825 1972.4342 117.3280 -205980.9586 17459.0561 0.0000 0.0000 34524.9247 -149029.4185 301.5148 -183554.3432 -148930.6459 299.5316 -176.7691 -148.2917 556026.5127 5.6638 5.6087 PRESSURE: 2391000 -268.195 228.962 43.3427 228.963 -170.62 9.57751 43.3439 9.57827 -39.877 GPRESSURE: 2391000 -269.555 235.818 122.494 190.456 -106.226 45.6907 10.5042 111.566 1.88233 PRESSAVG: 2391000 -42.3509 73.655 11.3921 73.6548 4.68718 52.6011 11.3921 52.601 29.389 GPRESSAVG: 2391000 -44.1146 73.1971 11.398 73.1414 6.87121 52.0297 13.5925 53.9811 29.2808 TIMING: 2391000 CPU: 6929.4, 0.00288129/step Wall: 6929.4, 0.00288129/step, 2.08814 hours remaining, 209.441406 MB of memory in use. ENERGY: 2391000 774.2128 2152.4958 1945.9701 120.2816 -206066.2080 17802.4982 0.0000 0.0000 34073.1759 -149197.5734 297.5695 -183270.7494 -149102.2329 299.4918 -159.5642 -124.6329 559472.5719 -2.7582 -2.6542 PRESSURE: 2391200 5.17453 73.9093 68.201 73.9103 45.7598 98.237 68.2018 98.2354 -34.4273 GPRESSURE: 2391200 27.4901 21.3225 -60.8749 151.649 79.894 79.9633 111.534 183.357 10.5242 PRESSAVG: 2391200 3.7974 37.3115 -6.63483 37.3114 -28.9462 53.4617 -6.63488 53.4615 20.3973 GPRESSAVG: 2391200 4.78921 37.2777 -5.66172 37.7664 -29.7541 54.1582 -9.15275 51.3238 20.1922 TIMING: 2391200 CPU: 6929.98, 0.00288006/step Wall: 6929.98, 0.00288006/step, 2.08708 hours remaining, 209.441406 MB of memory in use. ENERGY: 2391200 767.2004 2159.1201 1935.8828 121.0438 -206436.0789 17995.0105 0.0000 0.0000 34341.5238 -149116.2975 299.9131 -183457.8213 -149024.2768 299.5448 5.5024 39.3028 557494.4293 -1.5839 -1.5909 PRESSURE: 2391400 48.2368 -56.7824 31.1895 -56.7827 72.8783 144.64 31.1906 144.639 -153.371 GPRESSURE: 2391400 55.5022 -45.2199 27.5133 -57.1514 94.2611 62.9816 9.74364 102.277 -100.531 PRESSAVG: 2391400 -22.4631 -14.8959 -26.4931 -14.8959 14.5408 41.937 -26.493 41.9369 7.03483 GPRESSAVG: 2391400 -23.2457 -12.8315 -26.5246 -14.782 13.9964 40.1611 -27.8026 41.4868 7.70692 TIMING: 2391400 CPU: 6930.56, 0.00287779/step Wall: 6930.56, 0.00287779/step, 2.08528 hours remaining, 209.441406 MB of memory in use. ENERGY: 2391400 798.4967 2125.8437 1951.8833 103.2410 -206234.5067 17771.0947 0.0000 0.0000 34301.9823 -149181.9650 299.5677 -183483.9472 -149092.5179 299.1010 -10.7519 16.4108 557709.4606 -0.2958 -0.5141 PRESSURE: 2391600 -115.373 33.2564 152.674 33.2568 -59.2996 -97.3265 152.673 -97.3271 284.149 GPRESSURE: 2391600 -30.8659 125.479 191.85 34.0879 -10.4429 -87.1729 136.711 -196.688 220.109 PRESSAVG: 2391600 -31.4642 31.1997 50.7388 31.1996 -29.7992 -20.7439 50.7388 -20.7439 39.8265 GPRESSAVG: 2391600 -30.362 31.0516 51.5392 31.2279 -28.82 -17.4717 51.8435 -21.1179 38.2449 TIMING: 2391600 CPU: 6931.13, 0.0028652/step Wall: 6931.13, 0.0028652/step, 2.07599 hours remaining, 209.441406 MB of memory in use. ENERGY: 2391600 732.9215 2114.1802 1958.8990 120.7862 -206043.0437 17738.4808 0.0000 0.0000 34237.7570 -149140.0191 299.0068 -183377.7760 -149041.3681 299.2671 36.4922 59.6002 558213.3211 -7.1456 -6.9790 PRESSURE: 2391800 111.448 83.2465 -56.6425 83.2468 404.032 -27.441 -56.6425 -27.4408 -162.548 GPRESSURE: 2391800 137.455 71.1485 1.58958 111.433 447.044 83.6708 -152.938 -64.715 -121.302 PRESSAVG: 2391800 4.87243 -22.287 38.4501 -22.287 -0.152752 8.31614 38.4502 8.31623 11.9243 GPRESSAVG: 2391800 4.30277 -21.7397 35.9359 -23.1102 -1.39432 6.6359 40.5764 10.0152 14.1167 TIMING: 2391800 CPU: 6931.71, 0.00290519/step Wall: 6931.71, 0.00290519/step, 2.10481 hours remaining, 209.441406 MB of memory in use. ENERGY: 2391800 719.9731 2107.6676 1989.1283 125.6468 -206107.1948 17986.5232 0.0000 0.0000 34231.8807 -148946.3751 298.9555 -183178.2558 -148850.9956 299.1223 117.6441 154.3989 558042.6967 5.5480 5.6750 PRESSURE: 2392000 1.6095 -67.9062 63.9586 -67.9063 -92.0569 157.738 63.9582 157.737 91.7306 GPRESSURE: 2392000 59.2512 -100.05 64.7065 -27.9979 -25.7505 129.826 47.1651 188.433 57.4288 PRESSAVG: 2392000 -40.2102 -16.7021 -9.06056 -16.702 35.7594 -43.2849 -9.0607 -43.2849 1.09209 GPRESSAVG: 2392000 -40.1035 -17.6334 -8.00529 -15.1986 37.5046 -42.0003 -10.967 -43.8333 -0.607006 TIMING: 2392000 CPU: 6932.29, 0.00289676/step Wall: 6932.29, 0.00289676/step, 2.09854 hours remaining, 209.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2392000 731.5327 2117.2879 1962.9966 115.7821 -205659.0983 17587.9386 0.0000 0.0000 34180.2816 -148963.2788 298.5049 -183143.5604 -148859.3515 299.5429 0.4277 30.3098 557123.3110 -1.1196 -1.0686 PRESSURE: 2392200 66.3028 -21.8207 48.2525 -21.8212 36.6507 7.18374 48.2548 7.18476 95.2441 GPRESSURE: 2392200 131.712 11.234 -9.06028 -20.6553 36.1215 -48.601 103.719 -47.1452 122.546 PRESSAVG: 2392200 -29.4539 -70.3647 47.6289 -70.3646 -68.4438 19.9535 47.6288 19.9536 77.6468 GPRESSAVG: 2392200 -29.2946 -70.5847 46.5023 -70.9866 -69.467 20.145 49.4447 17.0781 79.013 TIMING: 2392200 CPU: 6932.87, 0.00289442/step Wall: 6932.87, 0.00289442/step, 2.09669 hours remaining, 209.441406 MB of memory in use. ENERGY: 2392200 705.7831 2171.5688 1991.3493 118.7423 -206067.5992 17751.1670 0.0000 0.0000 34309.6867 -149019.3021 299.6350 -183328.9888 -148918.0439 299.4092 66.0659 96.7930 556654.5186 -6.7503 -6.5829 LDB: ============= START OF LOAD BALANCING ============== 6936.26 LDB: ============== END OF LOAD BALANCING =============== 6936.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6936.26 LDB: ============= START OF LOAD BALANCING ============== 6936.55 LDB: Largest compute 4820 load 0.026538 is 22.5% of average load 0.117898 LDB: Average compute 0.001757 is 1.5% of average load 0.117898 LDB: TIME 6936.55 LOAD: AVG 0.117898 MAX 0.180082 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.297 MB LDB: TIME 6936.55 LOAD: AVG 0.117898 MAX 0.180082 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.297 MB LDB: TIME 6936.55 LOAD: AVG 0.117898 MAX 0.180082 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.297 MB LDB: ============== END OF LOAD BALANCING =============== 6936.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6936.56 PRESSURE: 2392400 -101.685 125.608 28.1483 125.608 -265.436 -108.653 28.1476 -108.655 -28.8947 GPRESSURE: 2392400 -69.901 42.3958 -39.432 135.787 -219.059 -127.538 21.3332 -92.5503 -4.81068 PRESSAVG: 2392400 32.9395 -15.7168 20.8047 -15.7168 -51.5657 17.9892 20.8047 17.9893 -1.8291 GPRESSAVG: 2392400 32.8092 -14.9116 21.0063 -16.0234 -50.6723 18.9835 19.6074 19.5668 -2.23361 TIMING: 2392400 CPU: 6933.46, 0.00297456/step Wall: 6933.46, 0.00297456/step, 2.15457 hours remaining, 208.796875 MB of memory in use. ENERGY: 2392400 807.7166 2077.9658 1937.8423 103.8481 -205762.5172 17617.2248 0.0000 0.0000 34087.1434 -149130.7762 297.6915 -183217.9196 -149033.3192 299.6605 -132.0052 -97.9235 557803.0710 -6.8184 -6.6989 PRESSURE: 2392600 -308.71 139.028 -73.8903 139.028 98.5904 -90.563 -73.8893 -90.5613 53.7634 GPRESSURE: 2392600 -282.501 226.189 -129.903 113.601 155.409 -104.623 -37.6444 -28.1641 63.1155 PRESSAVG: 2392600 -13.9868 -7.88951 3.43607 -7.88954 64.797 -12.3741 3.43606 -12.3742 -33.0356 GPRESSAVG: 2392600 -13.7287 -7.78216 3.01109 -7.51305 64.2947 -10.7608 1.69713 -12.2906 -33.1069 TIMING: 2392600 CPU: 6934.04, 0.00290603/step Wall: 6934.04, 0.00290603/step, 2.10477 hours remaining, 208.996094 MB of memory in use. ENERGY: 2392600 756.3027 2102.5291 1943.8311 119.5202 -205730.0096 17486.8038 0.0000 0.0000 34461.2731 -148859.7497 300.9589 -183321.0228 -148765.0608 300.2951 -52.1188 -21.3256 557857.7188 5.9249 5.8197 PRESSURE: 2392800 -102.754 24.5462 -13.2246 24.5475 -135.5 -110.418 -13.2255 -110.419 138.574 GPRESSURE: 2392800 -13.4507 65.3009 47.9584 -38.7117 -143.513 -50.4956 -91.9606 -97.517 154.587 PRESSAVG: 2392800 12.1311 14.1882 0.690293 14.1881 99.8939 -21.3965 0.690257 -21.3964 -20.8903 GPRESSAVG: 2392800 12.0633 14.1855 2.3285 13.5781 100.92 -24.7506 0.388429 -22.8739 -21.4455 TIMING: 2392800 CPU: 6934.62, 0.00290009/step Wall: 6934.62, 0.00290009/step, 2.10031 hours remaining, 208.996094 MB of memory in use. ENERGY: 2392800 738.6207 2051.3501 1976.6434 116.1217 -205777.5987 17630.9085 0.0000 0.0000 34478.4906 -148785.4636 301.1092 -183263.9542 -148684.2396 300.0076 -33.2266 -0.7922 557748.9935 30.3782 30.5127 PRESSURE: 2393000 155.264 34.849 -91.0667 34.8494 -64.2119 89.4659 -91.0669 89.4654 -82.1027 GPRESSURE: 2393000 145.646 31.7276 -90.4194 -18.0753 -18.4218 108.914 -61.0492 139.855 -20.808 PRESSAVG: 2393000 34.1733 -17.2588 -7.84855 -17.2588 -9.66566 -3.57365 -7.84852 -3.57371 40.8571 GPRESSAVG: 2393000 34.0069 -17.4912 -8.61492 -18.1385 -11.0586 -3.71438 -6.89241 -0.452163 42.1871 TIMING: 2393000 CPU: 6935.2, 0.00289804/step Wall: 6935.2, 0.00289804/step, 2.09867 hours remaining, 208.996094 MB of memory in use. ENERGY: 2393000 745.1984 2140.1205 1962.4260 97.0155 -206220.3749 17968.4287 0.0000 0.0000 34508.4299 -148798.7559 301.3707 -183307.1858 -148702.0683 299.8222 2.9833 35.4722 558791.0650 21.7883 21.7118 PRESSURE: 2393200 140.869 -192.63 -7.19143 -192.63 54.0355 -98.7675 -7.19137 -98.7678 65.4998 GPRESSURE: 2393200 209.962 -251.517 -109.344 -127.048 112.676 -10.3636 123.298 -59.6167 35.8613 PRESSAVG: 2393200 -18.4096 67.5558 2.91094 67.5558 26.81 37.4678 2.91095 37.4678 -21.4406 GPRESSAVG: 2393200 -18.1953 66.9586 2.36308 68.597 27.5696 37.6286 2.63854 37.5163 -22.1221 TIMING: 2393200 CPU: 6935.78, 0.00289189/step Wall: 6935.78, 0.00289189/step, 2.09405 hours remaining, 208.996094 MB of memory in use. ENERGY: 2393200 724.7884 2115.7737 1975.3730 116.5480 -206328.2684 17847.8803 0.0000 0.0000 34608.3920 -148939.5129 302.2437 -183547.9049 -148842.4034 299.9202 86.8013 119.4996 556551.0029 -4.3467 -4.2493 PRESSURE: 2393400 -194.701 188.567 97.9451 188.567 22.0087 198.54 97.9461 198.539 -43.391 GPRESSURE: 2393400 -168.629 284.444 64.1223 130.336 48.3769 127.197 60.0402 234.39 1.8434 PRESSAVG: 2393400 22.9659 4.25038 -9.00751 4.25033 -15.4543 51.1841 -9.0076 51.1842 36.1959 GPRESSAVG: 2393400 23.0606 6.71288 -9.17606 3.15826 -15.7909 50.7799 -6.54131 51.0669 36.4765 TIMING: 2393400 CPU: 6936.36, 0.00289421/step Wall: 6936.36, 0.00289421/step, 2.09557 hours remaining, 208.996094 MB of memory in use. ENERGY: 2393400 741.5861 2141.9327 1967.1446 126.9758 -205772.8171 17532.1542 0.0000 0.0000 34276.5790 -148986.4446 299.3459 -183263.0236 -148888.5873 300.2434 -72.0277 -39.4696 556574.8113 14.5692 14.5821 PRESSURE: 2393600 -232.208 -89.7347 -47.5683 -89.7332 -124.206 -124.75 -47.57 -124.748 57.2251 GPRESSURE: 2393600 -179.939 -138.974 14.9633 -36.2366 -62.0051 -146.11 -91.8322 -72.7733 31.2139 PRESSAVG: 2393600 -81.425 -18.4115 8.73691 -18.4115 -22.8888 22.1852 8.73696 22.1853 89.642 GPRESSAVG: 2393600 -81.0563 -21.3939 9.86212 -18.3247 -22.4283 20.7261 6.24779 22.453 88.5425 TIMING: 2393600 CPU: 6936.94, 0.00289763/step Wall: 6936.94, 0.00289763/step, 2.09788 hours remaining, 208.996094 MB of memory in use. ENERGY: 2393600 733.0260 2107.3106 1955.9726 112.6361 -205962.5068 17590.7053 0.0000 0.0000 34300.8204 -149162.0357 299.5576 -183462.8562 -149066.0048 299.3747 -99.7295 -70.2435 558167.8867 -4.8906 -4.9807 PRESSURE: 2393800 -115.28 -110.367 -101.626 -110.366 117.641 -91.1248 -101.626 -91.1269 68.5082 GPRESSURE: 2393800 -81.7369 -118.877 -80.1625 -156.445 122.665 5.24845 -133.923 -163.89 125.003 PRESSAVG: 2393800 -20.819 1.9865 1.92561 1.9866 -19.6101 -62.4918 1.92554 -62.4918 93.2246 GPRESSAVG: 2393800 -21.5518 4.14084 -0.109442 2.84579 -19.7791 -61.6779 3.24009 -63.4996 93.753 TIMING: 2393800 CPU: 6937.52, 0.00289826/step Wall: 6937.52, 0.00289826/step, 2.09818 hours remaining, 208.996094 MB of memory in use. ENERGY: 2393800 719.0077 2111.8415 1946.0314 113.6304 -206313.7694 17935.8059 0.0000 0.0000 34469.5802 -149017.8724 301.0314 -183487.4526 -148916.9525 299.5637 23.6232 55.3101 557996.5607 17.5985 17.4740 PRESSURE: 2394000 72.1036 130.045 166.043 130.044 326.55 -21.558 166.044 -21.5577 63.9282 GPRESSURE: 2394000 87.6559 61.6048 229.363 165.68 295.847 18.9418 89.7811 19.2274 178.62 PRESSAVG: 2394000 3.78259 -41.6707 2.18468 -41.6706 57.5777 39.1503 2.18463 39.1504 -40.2755 GPRESSAVG: 2394000 3.37376 -43.3095 3.38351 -41.0779 57.4713 38.8754 3.22777 39.8253 -39.4888 TIMING: 2394000 CPU: 6938.1, 0.00288247/step Wall: 6938.1, 0.00288247/step, 2.08659 hours remaining, 208.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2394000 710.7728 2069.6341 1983.0957 115.8229 -206256.1973 18020.3758 0.0000 0.0000 34373.2030 -148983.2929 300.1897 -183356.4959 -148881.9851 299.5935 154.1939 187.3744 556432.2211 7.0283 7.1188 PRESSURE: 2394200 -14.4495 79.3375 67.3681 79.3372 -217.738 -70.5895 67.3692 -70.5916 34.7358 GPRESSURE: 2394200 -1.7239 2.02265 94.5773 128.484 -185.306 2.63754 9.06565 -1.08344 92.3552 PRESSAVG: 2394200 31.0826 -85.6826 -22.0149 -85.6826 -36.8828 -34.9447 -22.0148 -34.9448 55.0031 GPRESSAVG: 2394200 32.1847 -86.7116 -22.2805 -84.2247 -36.5366 -34.5975 -22.9262 -35.4048 53.4271 TIMING: 2394200 CPU: 6938.67, 0.00287829/step Wall: 6938.67, 0.00287829/step, 2.0834 hours remaining, 208.996094 MB of memory in use. ENERGY: 2394200 751.1827 2112.7269 1955.2322 118.3228 -205721.0963 17725.8623 0.0000 0.0000 34054.6756 -149003.0937 297.4080 -183057.7693 -148906.4709 299.5989 -65.8171 -31.5583 558213.4569 16.4010 16.3584 PRESSURE: 2394400 -130.46 103.336 -23.6534 103.335 -230.163 39.9556 -23.6532 39.9569 68.1253 GPRESSURE: 2394400 -123.04 104.726 -3.42635 100.017 -199.227 40.4679 -69.3771 15.1118 144.234 PRESSAVG: 2394400 8.46453 -18.7882 20.7062 -18.7882 -26.5551 -9.56137 20.7062 -9.5613 27.8934 GPRESSAVG: 2394400 8.39722 -17.6643 21.6577 -21.2137 -27.1168 -9.0928 20.9598 -9.77397 28.5653 TIMING: 2394400 CPU: 6939.25, 0.00287628/step Wall: 6939.25, 0.00287628/step, 2.08179 hours remaining, 208.996094 MB of memory in use. ENERGY: 2394400 728.6448 2089.9181 1948.3029 125.0738 -205999.6357 17804.7361 0.0000 0.0000 34241.5082 -149061.4516 299.0396 -183302.9599 -148971.7810 299.2648 -97.4993 -59.3445 558708.1642 3.2676 3.2819 PRESSURE: 2394600 175.366 -181.358 -100.045 -181.359 25.0014 -7.98346 -100.046 -7.98304 187.194 GPRESSURE: 2394600 198.579 -112.773 -296.863 -208.988 36.5176 -16.5491 -36.8946 -40.0935 246.63 PRESSAVG: 2394600 5.83962 -62.0281 31.5283 -62.0282 -33.4139 -30.3282 31.5283 -30.3283 18.8369 GPRESSAVG: 2394600 4.56928 -60.9846 30.7522 -60.7723 -34.4494 -29.6532 29.9371 -29.5232 20.6496 TIMING: 2394600 CPU: 6939.83, 0.00290877/step Wall: 6939.83, 0.00290877/step, 2.10514 hours remaining, 208.996094 MB of memory in use. ENERGY: 2394600 758.1333 2130.9043 1979.2021 114.6982 -206195.0156 17891.9323 0.0000 0.0000 34262.9238 -149057.2216 299.2266 -183320.1453 -148964.9878 299.6412 129.1870 160.5756 556445.7684 -2.9125 -3.0768 PRESSURE: 2394800 24.3495 33.1787 109.676 33.179 -324.798 110.577 109.676 110.577 -131.698 GPRESSURE: 2394800 48.5976 -0.811165 161.118 40.4391 -278.848 62.6571 14.1735 132.339 -113.316 PRESSAVG: 2394800 -25.2628 -20.0217 39.258 -20.0217 8.35165 36.6983 39.2581 36.6982 6.82391 GPRESSAVG: 2394800 -24.1046 -20.0992 40.1075 -19.4895 9.35502 37.559 38.5452 35.3058 5.24216 TIMING: 2394800 CPU: 6940.41, 0.00290355/step Wall: 6940.41, 0.00290354/step, 2.1012 hours remaining, 208.996094 MB of memory in use. ENERGY: 2394800 747.9510 2068.6248 1983.6684 121.4210 -206008.1579 17580.1904 0.0000 0.0000 34453.7430 -149052.5593 300.8931 -183506.3023 -148956.5218 299.3013 -144.0487 -114.5218 556724.1006 -3.3624 -3.1692 PRESSURE: 2395000 344.444 33.2763 83.3149 33.2768 412.349 171.25 83.3154 171.251 57.7921 GPRESSURE: 2395000 382.282 37.2168 111.952 24.2437 438.972 116.026 122.466 259.452 87.8564 PRESSAVG: 2395000 -14.4084 -19.4855 12.5435 -19.4855 14.3013 27.9623 12.5433 27.9624 -8.12434 GPRESSAVG: 2395000 -14.3995 -21.9796 13.2341 -19.4992 14.578 25.9407 14.4625 29.4199 -8.03112 TIMING: 2395000 CPU: 6940.99, 0.00288147/step Wall: 6940.99, 0.00288147/step, 2.08507 hours remaining, 208.996094 MB of memory in use. ENERGY: 2395000 687.0039 2040.0634 1946.6082 106.5576 -206395.3491 18045.1675 0.0000 0.0000 34319.8277 -149250.1207 299.7236 -183569.9484 -149152.6189 299.4963 271.5283 303.0370 554913.0953 -2.7438 -2.6176 PRESSURE: 2395200 -211.504 9.86859 120.899 9.86861 -223.247 93.8459 120.899 93.8467 -424.474 GPRESSURE: 2395200 -131.378 47.1705 179.798 3.91431 -220.117 147.78 61.6637 -27.2172 -412.65 PRESSAVG: 2395200 40.2363 -43.0708 3.48308 -43.0708 24.4253 27.0727 3.48304 27.0727 -49.6468 GPRESSAVG: 2395200 40.2109 -42.1046 3.09875 -43.7386 24.3996 29.0882 1.44981 25.6819 -49.5022 TIMING: 2395200 CPU: 6941.56, 0.00288013/step Wall: 6941.56, 0.00288013/step, 2.08393 hours remaining, 208.996094 MB of memory in use. ENERGY: 2395200 704.6156 2066.3520 1982.8739 113.1692 -205680.9000 17241.3108 0.0000 0.0000 34185.3783 -149387.2002 298.5494 -183572.5785 -149293.4558 298.8663 -286.4083 -254.7148 557060.6354 5.0050 5.0361 PRESSURE: 2395400 -198.705 -9.59929 -174.808 -9.59818 -63.9696 11.639 -174.808 11.64 -133.821 GPRESSURE: 2395400 -132.557 -41.0531 -135.41 33.5397 -48.0993 9.20523 -156.074 65.79 -110.19 PRESSAVG: 2395400 2.42834 -11.3368 11.7717 -11.3369 -37.6825 -9.75059 11.7716 -9.75076 -5.80305 GPRESSAVG: 2395400 2.00516 -9.87187 11.2007 -12.0857 -37.5517 -11.8131 12.3852 -10.1436 -5.65326 TIMING: 2395400 CPU: 6942.14, 0.0028984/step Wall: 6942.14, 0.0028984/step, 2.09699 hours remaining, 208.996094 MB of memory in use. ENERGY: 2395400 719.8047 2070.7706 1967.9211 109.7794 -206069.9279 17611.5230 0.0000 0.0000 34300.1709 -149289.9581 299.5519 -183590.1290 -149191.7567 299.1310 -132.1653 -96.9489 557251.3851 -13.6857 -13.7333 PRESSURE: 2395600 -154.805 -108.223 -116.854 -108.224 95.1658 -50.9172 -116.855 -50.9171 318.19 GPRESSURE: 2395600 -138.092 -69.8225 -111.63 -206.25 111.853 -135.99 -117.755 -45.1559 395.039 PRESSAVG: 2395600 36.6638 -47.5694 -50.9274 -47.5695 11.2621 13.2923 -50.9275 13.2923 -53.133 GPRESSAVG: 2395600 37.2227 -49.6407 -50.0163 -43.9957 11.1293 14.8039 -49.6941 13.4998 -53.9185 TIMING: 2395600 CPU: 6942.72, 0.00288455/step Wall: 6942.72, 0.00288455/step, 2.08681 hours remaining, 208.996094 MB of memory in use. ENERGY: 2395600 721.6513 2143.1802 1960.9954 118.2168 -206463.4628 17944.6385 0.0000 0.0000 34240.7739 -149334.0066 299.0332 -183574.7805 -149241.2860 299.0124 86.1834 122.9334 555486.8736 -1.7357 -1.8555 PRESSURE: 2395800 -105.791 -47.0475 10.9093 -47.0486 22.6462 13.9798 10.9096 13.98 -385.004 GPRESSURE: 2395800 -1.02667 -44.9751 -7.30902 -96.9697 24.3567 -28.2971 -38.5086 -28.0842 -380.723 PRESSAVG: 2395800 -16.138 -67.7515 -18.1794 -67.7514 44.9054 0.862761 -18.1794 0.862726 -3.55753 GPRESSAVG: 2395800 -16.7713 -64.0563 -19.0093 -71.8956 44.29 0.489105 -17.9264 -0.467556 -2.8523 TIMING: 2395800 CPU: 6943.3, 0.00290773/step Wall: 6943.3, 0.00290773/step, 2.10342 hours remaining, 208.996094 MB of memory in use. ENERGY: 2395800 735.0803 2127.7510 1968.6273 111.0419 -206000.1113 17514.5711 0.0000 0.0000 34079.1289 -149463.9109 297.6215 -183543.0397 -149371.7289 298.9097 -156.0497 -119.1309 556457.2049 8.4033 8.2221 PRESSURE: 2396000 163.798 -237.237 -95.8704 -237.238 146 78.7638 -95.8695 78.7631 211.792 GPRESSURE: 2396000 200.441 -218.096 -93.9127 -233.704 191.793 102.331 -137.742 67.1263 245.706 PRESSAVG: 2396000 31.5989 -49.4053 -11.7462 -49.4054 -48.6024 32.5754 -11.7463 32.5755 32.0145 GPRESSAVG: 2396000 30.1365 -53.8952 -12.3167 -46.1296 -46.0107 30.7974 -12.2158 35.9992 31.1788 TIMING: 2396000 CPU: 6943.88, 0.00291217/step Wall: 6943.88, 0.00291217/step, 2.10647 hours remaining, 209.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2396000 761.7282 2055.8016 1957.0420 115.2665 -206494.4463 17941.4391 0.0000 0.0000 34216.5473 -149446.6216 298.8216 -183663.1689 -149350.7846 299.0391 173.8636 212.6468 556180.4960 5.0036 5.1015 PRESSURE: 2396200 119.002 -140.751 88.9985 -140.751 -12.1614 -14.8921 88.9984 -14.892 -65.3925 GPRESSURE: 2396200 115.939 -164.556 71.0576 -106.195 72.1061 81.7447 83.7373 -4.32023 -39.9562 PRESSAVG: 2396200 -44.6207 -60.6484 -33.6555 -60.6485 69.2715 30.5554 -33.6555 30.5554 6.06391 GPRESSAVG: 2396200 -44.0779 -58.105 -34.0057 -62.5714 68.245 31.9004 -33.7823 31.5532 5.9698 TIMING: 2396200 CPU: 6944.47, 0.00292457/step Wall: 6944.47, 0.00292457/step, 2.11528 hours remaining, 209.046875 MB of memory in use. ENERGY: 2396200 739.2838 2120.6212 1934.0461 103.3036 -206290.0934 17734.8449 0.0000 0.0000 34355.8501 -149302.1437 300.0382 -183657.9939 -149215.4172 299.5180 13.8161 49.3630 555635.8756 10.2383 10.0456 LDB: ============= START OF LOAD BALANCING ============== 6947.86 LDB: ============== END OF LOAD BALANCING =============== 6947.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6947.86 LDB: ============= START OF LOAD BALANCING ============== 6948.15 LDB: Largest compute 4820 load 0.025976 is 22.1% of average load 0.117786 LDB: Average compute 0.001756 is 1.5% of average load 0.117786 LDB: TIME 6948.15 LOAD: AVG 0.117786 MAX 0.178329 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.699 MB LDB: TIME 6948.15 LOAD: AVG 0.117786 MAX 0.178329 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.699 MB LDB: TIME 6948.15 LOAD: AVG 0.117786 MAX 0.178329 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.699 MB LDB: ============== END OF LOAD BALANCING =============== 6948.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6948.16 PRESSURE: 2396400 -14.652 58.5549 39.6643 58.5534 -70.4827 -139.681 39.6635 -139.681 -305.438 GPRESSURE: 2396400 79.6018 -39.4633 23.6305 176.168 -13.0759 -187.55 74.2132 -113.029 -355.795 PRESSAVG: 2396400 26.9633 -47.0093 -9.24104 -47.0092 -77.5346 8.52601 -9.24113 8.52601 44.3768 GPRESSAVG: 2396400 27.0787 -46.8981 -8.74213 -47.3986 -78.1935 8.19076 -11.7265 4.80188 45.1206 TIMING: 2396400 CPU: 6945.06, 0.00296204/step Wall: 6945.06, 0.00296204/step, 2.14221 hours remaining, 209.679688 MB of memory in use. ENERGY: 2396400 775.4283 2062.0990 1941.5677 107.6434 -206236.7422 17866.4276 0.0000 0.0000 34325.2946 -149158.2816 299.7713 -183483.5763 -149063.0499 299.6300 -130.1908 -96.4231 556991.4381 -2.0648 -1.9981 PRESSURE: 2396600 -149.514 75.8156 -84.7621 75.8165 193.811 7.57492 -84.7619 7.5745 -67.3744 GPRESSURE: 2396600 -109.667 65.4259 -14.0848 81.1715 213.293 -10.2948 -151.248 -85.0995 -40.7219 PRESSAVG: 2396600 59.176 -30.5785 -41.5052 -30.5784 66.4126 14.7641 -41.5052 14.7641 -131.683 GPRESSAVG: 2396600 59.2835 -32.1989 -41.126 -29.3546 66.74 17.9987 -38.8217 14.0006 -132.486 TIMING: 2396600 CPU: 6945.64, 0.00291997/step Wall: 6945.64, 0.00291997/step, 2.11163 hours remaining, 209.679688 MB of memory in use. ENERGY: 2396600 808.0226 2104.5517 1983.2176 113.9922 -206593.4427 17967.2857 0.0000 0.0000 34501.8968 -149114.4761 301.3136 -183616.3728 -149016.9041 300.7012 -7.6925 20.9681 555927.8438 -2.0315 -2.1543 PRESSURE: 2396800 -57.0314 46.2481 -25.4651 46.248 208.415 12.0055 -25.4646 12.0059 -55.6267 GPRESSURE: 2396800 45.1277 51.2859 14.7154 56.1803 161.413 -47.4337 -72.2879 43.9209 1.26776 PRESSAVG: 2396800 70.4088 -1.87793 18.6967 -1.87798 -35.3448 -31.8274 18.6967 -31.8274 -29.166 GPRESSAVG: 2396800 69.8118 -0.496885 18.614 -4.12483 -35.2231 -33.5386 18.8755 -29.7572 -28.3859 TIMING: 2396800 CPU: 6946.22, 0.00290005/step Wall: 6946.22, 0.00290005/step, 2.09706 hours remaining, 209.679688 MB of memory in use. ENERGY: 2396800 728.0674 2133.7206 1974.5907 112.2469 -206430.0222 17883.9916 0.0000 0.0000 34428.5399 -149168.8651 300.6730 -183597.4051 -149068.4539 300.2444 31.9188 69.2694 557175.1539 1.9660 2.0676 PRESSURE: 2397000 -23.0706 50.8777 135.575 50.8779 -7.43658 -8.59085 135.574 -8.589 424.357 GPRESSURE: 2397000 -29.2933 -18.3961 127.06 54.32 99.8501 73.6979 147.703 -146.462 424.084 PRESSAVG: 2397000 -33.0225 -6.54036 5.94165 -6.54042 10.1736 -23.457 5.94164 -23.457 9.09679 GPRESSAVG: 2397000 -31.9373 -8.22856 6.50501 -3.06487 9.75028 -22.6968 5.49384 -25.7289 8.87134 TIMING: 2397000 CPU: 6946.8, 0.00287601/step Wall: 6946.8, 0.00287601/step, 2.07951 hours remaining, 209.679688 MB of memory in use. ENERGY: 2397000 755.5769 2073.6677 1971.5620 124.7013 -206749.6454 18120.2191 0.0000 0.0000 34358.6058 -149345.3125 300.0623 -183703.9183 -149240.1211 299.4099 131.2831 164.8801 557532.3485 -4.5840 -4.4386 PRESSURE: 2397200 -80.4135 -173.778 -23.5174 -173.776 -50.3278 15.6364 -23.5184 15.6362 15.3716 GPRESSURE: 2397200 -110.746 -178.807 -12.2514 -74.8609 45.1161 26.8079 -47.6856 -77.2055 43.3403 PRESSAVG: 2397200 -53.6326 41.5429 -29.1966 41.5428 17.9772 -18.4707 -29.1967 -18.4708 55.7193 GPRESSAVG: 2397200 -54.3432 41.8502 -31.216 39.3041 18.4344 -19.4627 -31.1836 -17.9948 56.1629 TIMING: 2397200 CPU: 6947.38, 0.0028915/step Wall: 6947.38, 0.0028915/step, 2.09055 hours remaining, 209.679688 MB of memory in use. ENERGY: 2397200 774.5527 2130.5403 1968.8817 100.6907 -206592.5389 17969.6429 0.0000 0.0000 34409.4150 -149238.8156 300.5060 -183648.2306 -149144.9879 298.9974 -38.4566 -7.4299 558633.8838 6.6880 6.7514 PRESSURE: 2397400 62.1944 101.991 -156.642 101.991 144.359 -216.646 -156.642 -216.646 1.46884 GPRESSURE: 2397400 61.5537 66.2337 -48.3816 129.731 187.423 -131.186 -132.903 -235.807 45.2456 PRESSAVG: 2397400 20.2886 10.7719 -13.6302 10.7719 -31.2225 -13.3056 -13.6302 -13.3055 5.2066 GPRESSAVG: 2397400 20.3894 11.2889 -13.229 11.7347 -30.9731 -13.3102 -11.6072 -12.0603 4.58524 TIMING: 2397400 CPU: 6947.96, 0.00290893/step Wall: 6947.96, 0.00290893/step, 2.103 hours remaining, 209.679688 MB of memory in use. ENERGY: 2397400 708.3821 2109.5541 1940.8932 122.3888 -206616.5935 18072.8752 0.0000 0.0000 34302.0630 -149360.4371 299.5684 -183662.5001 -149265.2930 299.0495 69.3408 98.0740 558133.9062 -1.9091 -1.9995 PRESSURE: 2397600 -249.315 32.9897 -20.9892 32.9884 -149.791 -39.8593 -20.9895 -39.8573 -339.866 GPRESSURE: 2397600 -193.907 92.7312 -40.9935 3.73392 -96.9117 -4.82535 -22.6244 -0.265016 -353.256 PRESSAVG: 2397600 68.1977 -14.1724 8.88359 -14.1724 -15.3765 7.75814 8.88362 7.75806 -54.3172 GPRESSAVG: 2397600 69.1541 -14.6178 10.5261 -15.53 -16.5782 7.27215 7.74156 8.21294 -53.6952 TIMING: 2397600 CPU: 6948.54, 0.00289488/step Wall: 6948.54, 0.00289488/step, 2.09268 hours remaining, 209.679688 MB of memory in use. ENERGY: 2397600 768.8514 2049.8713 1964.9531 102.5776 -205685.8163 17387.1790 0.0000 0.0000 34233.2695 -149179.1143 298.9677 -183412.3838 -149080.1665 299.0216 -246.3240 -214.6916 558468.2082 -0.4986 -0.3731 PRESSURE: 2397800 97.0436 140.737 -55.6648 140.737 226.9 -55.0179 -55.6651 -55.0172 173.202 GPRESSURE: 2397800 88.8747 125.808 47.2552 188.123 319.106 -92.4561 -100.27 -10.372 179.683 PRESSAVG: 2397800 87.2164 3.11512 14.105 3.11517 43.6512 -29.7877 14.1049 -29.7878 -70.4579 GPRESSAVG: 2397800 86.6305 4.46716 14.1318 3.99699 44.2928 -29.193 12.6017 -29.8227 -70.1338 TIMING: 2397800 CPU: 6949.12, 0.00290798/step Wall: 6949.12, 0.00290798/step, 2.10198 hours remaining, 209.679688 MB of memory in use. ENERGY: 2397800 737.3543 2053.8522 1945.1361 116.6582 -206155.2706 17974.6095 0.0000 0.0000 34371.9840 -148955.6763 300.1791 -183327.6603 -148858.6394 299.2938 165.7153 195.8878 557276.4583 20.1366 20.2632 PRESSURE: 2398000 -627.351 255.563 -200.302 255.564 -232.305 12.302 -200.301 12.3014 -92.7571 GPRESSURE: 2398000 -542.977 159.744 -216.733 253.354 -215.77 58.1614 -213.47 40.8318 -104.744 PRESSAVG: 2398000 -48.3112 14.8998 -6.97775 14.8998 33.8449 -5.45037 -6.97784 -5.45032 -14.6074 GPRESSAVG: 2398000 -48.582 13.9005 -7.61241 15.9274 34.2574 -5.07692 -5.08669 -5.86009 -15.3936 TIMING: 2398000 CPU: 6949.7, 0.00288326/step Wall: 6949.7, 0.00288326/step, 2.08396 hours remaining, 209.679688 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: 2398000 730.9644 2102.2357 1939.3942 103.0726 -205485.0482 17116.6473 0.0000 0.0000 34308.9782 -149183.7558 299.6288 -183492.7340 -149079.6528 299.5623 -317.4712 -287.8305 557680.5282 -9.6913 -9.9061 PRESSURE: 2398200 68.6218 -41.7235 -32.0834 -41.7227 -177.949 -75.3058 -32.0823 -75.3049 -54.1605 GPRESSURE: 2398200 129.212 19.2347 -107.845 25.9841 -124.077 -120.187 3.74921 -55.3815 -68.8732 PRESSAVG: 2398200 29.9018 14.7379 -32.4874 14.7379 -28.1341 -63.1688 -32.4875 -63.1688 2.58857 GPRESSAVG: 2398200 29.76 13.8692 -34.049 12.6307 -28.7301 -64.2516 -32.0727 -61.7986 3.21085 TIMING: 2398200 CPU: 6950.28, 0.00289446/step Wall: 6950.28, 0.00289446/step, 2.09189 hours remaining, 209.679688 MB of memory in use. ENERGY: 2398200 743.7136 2061.3881 1943.0169 123.7116 -206103.1648 17869.8089 0.0000 0.0000 34023.9726 -149337.5531 297.1398 -183361.5257 -149240.4476 298.7064 -54.4960 -21.2459 558681.2076 1.4521 1.4136 PRESSURE: 2398400 -207.06 19.5513 -173.979 19.5509 98.77 -59.6537 -173.979 -59.6522 175.194 GPRESSURE: 2398400 -164.896 41.6296 -183.259 -3.78128 126.146 -159.821 -144.917 91.416 192.705 PRESSAVG: 2398400 8.05335 -34.234 -2.37899 -34.234 -18.2446 -6.80769 -2.37893 -6.80764 61.9473 GPRESSAVG: 2398400 7.63643 -32.2311 0.721106 -34.5535 -17.7048 -7.18739 -4.0434 -5.77271 61.7408 TIMING: 2398400 CPU: 6950.86, 0.00291527/step Wall: 6950.86, 0.00291527/step, 2.10677 hours remaining, 209.679688 MB of memory in use. ENERGY: 2398400 746.5164 2124.5799 1961.8386 123.1056 -206051.4363 17789.7958 0.0000 0.0000 34122.7985 -149182.8014 298.0029 -183305.6000 -149091.3980 298.8532 22.3016 51.3186 557990.7380 17.2520 17.2242 PRESSURE: 2398600 18.9446 -84.3358 236.257 -84.3357 -146.44 39.5891 236.257 39.5894 -310.655 GPRESSURE: 2398600 38.655 -132.64 129.16 -66.9215 -116.629 -9.83315 326.038 34.5751 -263.422 PRESSAVG: 2398600 38.4847 26.6478 -31.0147 26.6478 9.67599 16.045 -31.0147 16.0451 -19.7065 GPRESSAVG: 2398600 38.5677 24.7867 -33.0092 28.2705 9.13327 17.2257 -29.4852 15.5778 -19.6225 TIMING: 2398600 CPU: 6951.44, 0.0028998/step Wall: 6951.44, 0.0028998/step, 2.09542 hours remaining, 209.679688 MB of memory in use. ENERGY: 2398600 745.2126 2072.3501 1931.0668 111.5761 -205880.6264 17599.1058 0.0000 0.0000 34280.2991 -149141.0159 299.3784 -183421.3150 -149052.5028 299.8757 -146.0501 -113.7986 557229.2532 9.4847 9.3595 PRESSURE: 2398800 -46.9139 139.339 -8.06322 139.339 79.5776 -214.44 -8.06392 -214.44 327.416 GPRESSURE: 2398800 -5.0077 173.117 -75.4857 142.629 109.551 -186.597 32.5009 -195.471 355.465 PRESSAVG: 2398800 22.835 23.6037 -10.877 23.6037 11.5475 6.92722 -10.8771 6.92737 -52.1966 GPRESSAVG: 2398800 23.9534 23.6022 -11.9916 24.701 11.8738 5.84383 -12.1182 5.54769 -53.03 TIMING: 2398800 CPU: 6952.02, 0.00289315/step Wall: 6952.02, 0.00289315/step, 2.09046 hours remaining, 209.679688 MB of memory in use. ENERGY: 2398800 693.5199 2050.9327 1925.6216 109.7674 -206169.0331 17911.5698 0.0000 0.0000 34178.2721 -149299.3496 298.4874 -183477.6217 -149196.5890 299.1923 120.0264 153.3361 557029.5992 -5.9380 -5.7343 PRESSURE: 2399000 75.433 49.2704 -59.0442 49.269 -220.323 12.5364 -59.0446 12.536 -48.5905 GPRESSURE: 2399000 96.2585 48.889 -62.9464 48.7721 -155.334 95.372 -116.121 -88.9656 -33.6468 PRESSAVG: 2399000 82.9904 75.6427 -5.97217 75.6426 -18.7124 9.26823 -5.97213 9.26837 -43.7201 GPRESSAVG: 2399000 81.8019 77.5423 -3.57546 74.1708 -19.0743 12.5322 -5.96272 8.93477 -43.0497 TIMING: 2399000 CPU: 6952.6, 0.00289323/step Wall: 6952.6, 0.00289323/step, 2.09036 hours remaining, 209.679688 MB of memory in use. ENERGY: 2399000 728.5970 2065.5242 1952.6659 109.1807 -206231.2315 17541.5520 0.0000 0.0000 34533.8112 -149299.9005 301.5924 -183833.7118 -149204.6534 299.4275 -64.4934 -30.9074 554854.9452 6.8526 6.5593 PRESSURE: 2399200 81.8059 47.5915 -31.8097 47.5916 -269.805 -118.391 -31.81 -118.392 46.7295 GPRESSURE: 2399200 95.3836 -93.5664 -88.7676 197.072 -221.698 -156.581 -81.0314 -179.669 83.22 PRESSAVG: 2399200 47.2762 60.9911 -15.4927 60.9911 -42.2322 -32.4465 -15.4928 -32.4466 10.9027 GPRESSAVG: 2399200 48.2854 59.2136 -14.7153 60.676 -43.3517 -34.7022 -16.9981 -33.7636 11.2923 TIMING: 2399200 CPU: 6953.17, 0.00289218/step Wall: 6953.17, 0.00289218/step, 2.08944 hours remaining, 209.679688 MB of memory in use. ENERGY: 2399200 710.6651 2054.0508 1940.6658 106.4130 -205757.3061 17401.8956 0.0000 0.0000 34355.4166 -149188.1993 300.0344 -183543.6159 -149084.8977 299.2754 -47.0899 -14.3649 555771.8301 5.3156 5.4087 PRESSURE: 2399400 -45.7085 20.7398 -91.3984 20.7398 12.911 -28.0477 -91.3993 -28.0491 -67.9865 GPRESSURE: 2399400 -93.0204 79.4766 -30.6706 -14.0175 38.581 35.8523 -197.696 -50.3755 56.0872 PRESSAVG: 2399400 -36.2441 -11.0038 -29.1995 -11.0038 11.3784 -23.3354 -29.1995 -23.3354 44.4786 GPRESSAVG: 2399400 -36.7219 -8.81691 -29.9172 -11.8418 12.2672 -22.6164 -26.1747 -20.7101 44.2398 TIMING: 2399400 CPU: 6953.75, 0.00288768/step Wall: 6953.75, 0.00288768/step, 2.08603 hours remaining, 209.679688 MB of memory in use. ENERGY: 2399400 751.6925 2044.3673 1945.3610 104.8507 -206003.7393 17694.4627 0.0000 0.0000 34300.7245 -149162.2807 299.5568 -183463.0052 -149070.8683 298.9756 -33.5947 0.5493 557033.5784 6.5376 6.5950 PRESSURE: 2399600 -263.099 12.1067 66.432 12.1071 -291.292 -68.5328 66.4321 -68.5322 -328.639 GPRESSURE: 2399600 -252.197 64.8156 100.646 -63.0863 -233.432 -94.594 13.331 -12.5372 -285.972 PRESSAVG: 2399600 -17.3566 21.9182 -36.5731 21.9181 15.0851 -20.4098 -36.5731 -20.4098 28.4869 GPRESSAVG: 2399600 -18.2913 22.0623 -37.1874 22.8146 16.3907 -22.9203 -36.0545 -18.6562 27.7373 TIMING: 2399600 CPU: 6954.33, 0.00290525/step Wall: 6954.33, 0.00290525/step, 2.09856 hours remaining, 209.679688 MB of memory in use. ENERGY: 2399600 723.4880 2006.4184 1971.6627 121.6956 -205622.2175 17387.8271 0.0000 0.0000 34126.4071 -149284.7186 298.0344 -183411.1257 -149186.0286 299.3110 -294.3434 -257.2005 558260.8854 8.7385 8.6123 PRESSURE: 2399800 -23.2621 92.3498 42.8183 92.3496 -153.499 4.65037 42.8203 4.65033 -241.319 GPRESSURE: 2399800 -26.4799 74.1993 10.7343 77.9351 -97.1078 78.0413 28.8693 6.52697 -207.16 PRESSAVG: 2399800 26.0129 1.92245 17.9139 1.92236 -44.5059 -20.0382 17.914 -20.0382 60.9934 GPRESSAVG: 2399800 27.1152 0.141153 18.9922 3.48951 -46.0373 -18.2149 14.9053 -21.7431 61.5021 TIMING: 2399800 CPU: 6954.91, 0.00290468/step Wall: 6954.91, 0.00290468/step, 2.09798 hours remaining, 209.679688 MB of memory in use. ENERGY: 2399800 743.0872 2032.4411 1923.9564 109.5575 -205708.9947 17519.7847 0.0000 0.0000 34144.9685 -149235.1993 298.1965 -183380.1678 -149139.3727 299.0036 -139.3600 -110.2493 559199.5615 14.1668 14.1934 PRESSURE: 2400000 -0.0854621 -55.8082 112.496 -55.8074 -31.1082 -2.82006 112.496 -2.82009 123.693 GPRESSURE: 2400000 5.87549 -33.148 54.7658 -23.9679 45.3676 69.12 156.311 -54.9648 137.243 PRESSAVG: 2400000 19.1252 -36.268 -8.76398 -36.2679 56.8722 -7.84015 -8.76387 -7.84009 -45.4111 GPRESSAVG: 2400000 19.3238 -34.7028 -9.07783 -38.026 56.1544 -6.28902 -7.58318 -9.77367 -45.1579 TIMING: 2400000 CPU: 6955.49, 0.00290154/step Wall: 6955.49, 0.00290154/step, 2.09556 hours remaining, 209.679688 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: 2400000 736.1005 2070.2201 1937.5543 108.0438 -206335.0070 17793.0268 0.0000 0.0000 34342.1947 -149347.8668 299.9189 -183690.0615 -149259.1217 299.2790 30.8332 62.8287 557670.9027 10.1955 10.1068 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400200 -100.585 -13.3923 -3.3297 -13.393 -65.1931 113.91 -3.32894 113.91 364.123 GPRESSURE: 2400200 -104.044 50.3904 -121.644 -30.3761 11.6048 69.5638 -45.7707 113.88 384.417 PRESSAVG: 2400200 20.6553 18.2725 42.3058 18.2725 -13.5033 19.5427 42.3057 19.5428 21.6364 GPRESSAVG: 2400200 20.3992 18.0868 40.2262 19.4293 -13.4089 17.0369 42.6195 20.9237 22.173 TIMING: 2400200 CPU: 6956.09, 0.00297274/step Wall: 6956.09, 0.00297274/step, 2.14681 hours remaining, 209.679688 MB of memory in use. ENERGY: 2400200 753.7905 2040.5975 1941.8020 116.2732 -206600.9900 17981.2421 0.0000 0.0000 34435.1403 -149332.1444 300.7306 -183767.2847 -149232.1244 299.3999 66.1152 97.3261 556618.5050 9.5961 9.7211 LDB: ============= START OF LOAD BALANCING ============== 6959.47 LDB: ============== END OF LOAD BALANCING =============== 6959.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6959.48 LDB: ============= START OF LOAD BALANCING ============== 6959.77 LDB: Largest compute 4820 load 0.025263 is 21.4% of average load 0.117867 LDB: Average compute 0.001750 is 1.5% of average load 0.117867 LDB: TIME 6959.77 LOAD: AVG 0.117867 MAX 0.177612 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.812 MB LDB: TIME 6959.77 LOAD: AVG 0.117867 MAX 0.177612 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.945 MB LDB: TIME 6959.77 LOAD: AVG 0.117867 MAX 0.177612 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6959.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6959.77 PRESSURE: 2400400 -63.7011 76.3983 -37.3513 76.3979 -35.1659 -180.175 -37.3519 -180.176 -13.3202 GPRESSURE: 2400400 -3.49074 -2.46529 1.28992 79.1669 12.8547 -178.123 17.6615 -138.514 -19.5745 PRESSAVG: 2400400 27.2975 12.9383 86.662 12.9383 16.3059 37.9262 86.6621 37.9263 5.08957 GPRESSAVG: 2400400 27.5622 12.0773 87.7503 12.7592 15.3528 35.3314 86.5047 38.8925 5.83855 TIMING: 2400400 CPU: 6956.68, 0.00294958/step Wall: 6956.68, 0.00294958/step, 2.12992 hours remaining, 208.648438 MB of memory in use. ENERGY: 2400400 758.4179 2027.3604 1935.5904 113.8132 -206120.9882 17832.1667 0.0000 0.0000 34132.3647 -149321.2750 298.0864 -183453.6397 -149228.7048 299.8253 -37.3957 -3.4035 556248.2435 16.2310 16.2512 PRESSURE: 2400600 -276.697 -142.983 -30.5445 -142.983 -163.732 -7.76767 -30.5448 -7.76726 -611.471 GPRESSURE: 2400600 -268.067 -175.46 -54.3582 -94.6527 -154.359 12.4273 66.0079 42.0238 -531.713 PRESSAVG: 2400600 38.392 -33.3468 10.1572 -33.3468 11.0234 -0.40946 10.1572 -0.409434 -65.0393 GPRESSAVG: 2400600 38.1981 -35.4073 10.3888 -32.0342 11.5076 3.41332 11.1156 -2.18176 -65.2508 TIMING: 2400600 CPU: 6957.25, 0.00287416/step Wall: 6957.25, 0.00287416/step, 2.07531 hours remaining, 208.847656 MB of memory in use. ENERGY: 2400600 744.7121 2055.8744 1957.4115 111.7500 -205758.6546 17340.1386 0.0000 0.0000 34404.3293 -149144.4387 300.4616 -183548.7680 -149051.2707 299.8324 -350.6333 -318.0462 558312.9908 -5.2080 -5.1817 PRESSURE: 2400800 -320.835 40.1028 -6.10683 40.1018 -285.354 216.12 -6.10742 216.119 -288.242 GPRESSURE: 2400800 -218.016 170.366 107.748 2.6729 -337.061 186.237 -90.0353 186 -232.314 PRESSAVG: 2400800 12.0479 3.89119 -24.2097 3.89129 22.6538 -26.4342 -24.2097 -26.4343 -25.8605 GPRESSAVG: 2400800 11.936 7.83389 -25.2286 3.49246 23.4707 -27.6763 -23.1553 -24.4443 -26.4316 TIMING: 2400800 CPU: 6957.83, 0.00288179/step Wall: 6957.83, 0.00288179/step, 2.08065 hours remaining, 208.847656 MB of memory in use. ENERGY: 2400800 766.4637 2070.5227 1963.5806 131.1350 -205834.8838 17557.2032 0.0000 0.0000 34296.3552 -149049.6235 299.5186 -183345.9787 -148955.3881 300.1068 -298.1437 -262.4634 559175.8321 2.9471 2.9917 PRESSURE: 2401000 -424.628 4.69412 -10.7959 4.69495 -336.313 -68.2327 -10.7953 -68.2333 12.9476 GPRESSURE: 2401000 -389.311 -5.5743 -19.9041 68.1574 -276.727 -15.5822 -29.8685 -61.6673 14.3972 PRESSAVG: 2401000 -29.5875 15.9328 36.1059 15.9329 -18.2644 -33.8854 36.1059 -33.8854 15.3987 GPRESSAVG: 2401000 -29.3822 14.9809 36.9637 14.8192 -18.9715 -34.6153 35.4873 -33.7656 16.008 TIMING: 2401000 CPU: 6958.41, 0.00287952/step Wall: 6958.41, 0.00287952/step, 2.07886 hours remaining, 209.000000 MB of memory in use. ENERGY: 2401000 758.7004 1999.3734 1982.7653 114.3140 -205477.8191 17378.7607 0.0000 0.0000 34358.0191 -148885.8862 300.0571 -183243.9053 -148786.5841 300.0039 -249.3309 -217.2138 559535.4944 -10.8177 -10.7819 PRESSURE: 2401200 -15.3864 -48.6046 -9.02953 -48.6041 40.382 -47.179 -9.02918 -47.1795 -206.758 GPRESSURE: 2401200 10.5252 10.0231 -102.603 -82.7985 45.9049 -72.2391 -16.1356 -31.3031 -148.624 PRESSAVG: 2401200 -46.7887 -17.2554 -34.8288 -17.2554 49.9543 -70.1281 -34.8286 -70.1281 4.22663 GPRESSAVG: 2401200 -46.8187 -17.2209 -35.1638 -17.9135 50.0004 -67.6505 -35.5682 -72.5792 3.94116 TIMING: 2401200 CPU: 6958.98, 0.00289133/step Wall: 6958.98, 0.00289133/step, 2.08722 hours remaining, 209.000000 MB of memory in use. ENERGY: 2401200 721.2334 2084.9084 1970.9727 120.2192 -205947.1500 17644.8490 0.0000 0.0000 34368.4609 -149036.5064 300.1483 -183404.9674 -148939.8017 299.9428 -60.5874 -30.7314 557191.5662 2.4641 2.3743 PRESSURE: 2401400 34.2113 -72.5274 -237.86 -72.527 5.1345 -62.5479 -237.859 -62.547 -126.121 GPRESSURE: 2401400 31.1984 -99.0331 -187.938 -6.16355 23.5254 -144.875 -241.283 -60.8688 -47.5202 PRESSAVG: 2401400 14.0532 41.9802 -23.8932 41.9802 -31.8053 -14.5525 -23.8932 -14.5524 -0.693705 GPRESSAVG: 2401400 13.9758 40.4082 -22.3788 43.6721 -30.6048 -17.2498 -24.2834 -13.8699 -2.22515 TIMING: 2401400 CPU: 6959.56, 0.00289216/step Wall: 6959.56, 0.00289216/step, 2.08766 hours remaining, 209.000000 MB of memory in use. ENERGY: 2401400 745.3900 2041.1592 1999.1802 126.1522 -205806.0573 17605.6216 0.0000 0.0000 34305.2521 -148983.3019 299.5963 -183288.5541 -148887.3396 299.4585 -28.9252 2.4012 558662.4482 -6.1486 -6.2847 PRESSURE: 2401600 -128.266 26.2925 -80.4163 26.2917 126.454 -113.504 -80.4176 -113.504 34.7641 GPRESSURE: 2401600 -134.348 26.2173 -78.3637 72.7342 188.961 21.1489 -28.8381 -122.542 83.5368 PRESSAVG: 2401600 -24.9772 28.3529 7.48428 28.3528 53.4073 -21.3527 7.48419 -21.3528 -4.24388 GPRESSAVG: 2401600 -23.9945 28.5901 7.07028 28.0227 52.7215 -20.8755 9.23331 -18.6254 -4.26766 TIMING: 2401600 CPU: 6960.14, 0.00288198/step Wall: 6960.14, 0.00288198/step, 2.08015 hours remaining, 209.000000 MB of memory in use. ENERGY: 2401600 769.2103 2081.4479 1971.2234 118.1922 -205983.1164 17715.6089 0.0000 0.0000 34425.4256 -148902.0081 300.6458 -183327.4337 -148799.7927 300.0272 10.9841 46.0501 556811.9467 8.0621 8.1531 PRESSURE: 2401800 208.061 -109.408 -141.557 -109.406 280.583 6.75286 -141.557 6.75292 379.185 GPRESSURE: 2401800 221.425 -93.1885 -172.511 -73.154 322.769 72.3173 -75.0306 27.3243 424.685 PRESSAVG: 2401800 -15.1499 13.0553 -35.7355 13.0553 40.1107 -42.8035 -35.7356 -42.8034 -8.21227 GPRESSAVG: 2401800 -15.944 11.2368 -35.7568 13.2039 39.6729 -40.9711 -37.8068 -44.6344 -6.7193 TIMING: 2401800 CPU: 6960.72, 0.00288877/step Wall: 6960.72, 0.00288877/step, 2.08489 hours remaining, 209.000000 MB of memory in use. ENERGY: 2401800 730.8904 2087.5668 1972.2899 110.6458 -206515.9170 18272.3474 0.0000 0.0000 34388.6162 -148953.5604 300.3243 -183342.1767 -148859.5715 300.3916 289.2763 322.9598 556194.3880 5.5828 5.6699 PRESSURE: 2402000 -119.931 52.7307 -81.9718 52.7313 98.5549 -128.341 -81.9716 -128.342 1.89132 GPRESSURE: 2402000 -99.4501 -2.88405 -32.676 -1.08381 176.993 -89.8709 -56.8718 -165.466 2.4411 PRESSAVG: 2402000 16.3413 15.6389 4.85253 15.6389 2.51291 -37.467 4.85252 -37.4669 -5.65899 GPRESSAVG: 2402000 15.8983 17.8527 3.54714 14.5518 3.14074 -37.3175 8.1444 -34.7553 -5.75737 TIMING: 2402000 CPU: 6961.29, 0.00287146/step Wall: 6961.29, 0.00287146/step, 2.07224 hours remaining, 209.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2402000 733.2810 2091.3451 1969.7972 108.2500 -205942.1551 17636.8684 0.0000 0.0000 34296.7702 -149105.8432 299.5222 -183402.6134 -149011.2302 299.8104 -6.4950 26.6612 556534.5868 4.3984 4.4272 PRESSURE: 2402200 -193.115 30.5654 130.054 30.5643 -240.355 -69.0144 130.055 -69.0142 14.9507 GPRESSURE: 2402200 -117.483 24.4834 126.482 24.4162 -276.292 -92.1602 148.795 -54.3327 85.0806 PRESSAVG: 2402200 9.5328 41.5044 14.6885 41.5044 14.5233 -37.3481 14.6885 -37.348 5.32071 GPRESSAVG: 2402200 9.72261 42.6963 15.1067 41.047 14.666 -35.8125 13.5656 -41.9532 5.5667 TIMING: 2402200 CPU: 6961.87, 0.00288779/step Wall: 6961.87, 0.00288779/step, 2.08386 hours remaining, 209.000000 MB of memory in use. ENERGY: 2402200 753.0956 2083.8363 1938.5234 111.8766 -205858.7742 17542.3412 0.0000 0.0000 34314.0390 -149115.0620 299.6730 -183429.1010 -149024.8870 300.5258 -139.5066 -102.8981 556229.8582 9.7923 9.9851 PRESSURE: 2402400 29.4281 82.0829 31.9614 82.0845 -8.10236 0.757013 31.9616 0.757152 338.481 GPRESSURE: 2402400 9.72759 63.1161 69.2195 12.9686 76.4337 34.7632 -6.435 -54.0561 376.178 PRESSAVG: 2402400 -25.4236 49.9732 5.19351 49.9732 29.4056 18.3149 5.19353 18.3148 18.445 GPRESSAVG: 2402400 -25.0829 47.7872 6.58626 50.5199 29.8328 14.9383 3.48741 22.4164 18.4633 TIMING: 2402400 CPU: 6962.45, 0.00289879/step Wall: 6962.45, 0.00289879/step, 2.09164 hours remaining, 209.000000 MB of memory in use. ENERGY: 2402400 757.0280 2046.4050 1929.0309 116.7713 -206129.3471 18051.6006 0.0000 0.0000 34137.8325 -149090.6787 298.1342 -183228.5112 -148993.9119 299.2704 119.9354 154.1132 557463.1811 7.4757 7.7377 PRESSURE: 2402600 140.065 -5.05652 53.1374 -5.05574 175.449 50.6201 53.1373 50.6204 -46.9189 GPRESSURE: 2402600 89.8755 -0.833078 53.3718 56.4617 226.682 158.045 72.2064 2.88523 55.5604 PRESSAVG: 2402600 9.44995 -26.2213 48.591 -26.2214 70.893 -38.4481 48.5911 -38.4481 -31.0473 GPRESSAVG: 2402600 9.11526 -26.0765 49.5953 -25.3784 70.8782 -36.5069 49.7948 -40.3578 -30.4101 TIMING: 2402600 CPU: 6963.02, 0.00287309/step Wall: 6963.02, 0.00287309/step, 2.07294 hours remaining, 209.000000 MB of memory in use. ENERGY: 2402600 741.1646 2032.3988 1939.3970 119.2916 -206410.8026 18099.9898 0.0000 0.0000 34426.9857 -149051.5750 300.6594 -183478.5607 -148957.2956 299.4169 89.5317 124.0393 557615.5342 16.4319 16.5278 PRESSURE: 2402800 369.713 -87.3055 10.9315 -87.305 -139.139 119.817 10.9318 119.817 -20.4959 GPRESSURE: 2402800 435.058 -94.9733 -82.4986 -117.252 -140.477 152.825 141.514 129.924 4.26532 PRESSAVG: 2402800 37.0814 11.3397 59.509 11.3397 32.0968 -1.55901 59.509 -1.55896 -34.1055 GPRESSAVG: 2402800 38.2868 13.2334 57.9965 11.5231 31.7141 -2.59018 60.5515 -0.701667 -35.3706 TIMING: 2402800 CPU: 6963.6, 0.00287794/step Wall: 6963.6, 0.00287794/step, 2.07627 hours remaining, 209.000000 MB of memory in use. ENERGY: 2402800 699.9171 2049.8018 1987.2006 119.9980 -206346.1302 17900.4125 0.0000 0.0000 34500.6505 -149088.1498 301.3028 -183588.8002 -148986.3130 300.1322 70.0260 99.6157 558898.5467 11.6909 11.5434 PRESSURE: 2403000 -120.646 -43.4798 -8.1794 -43.4796 -13.3233 -152.892 -8.17997 -152.892 -22.2403 GPRESSURE: 2403000 -62.0049 -71.2113 -0.909545 4.19132 26.4829 -158.236 -5.01334 -200.669 -15.8672 PRESSAVG: 2403000 -42.5786 -7.0204 -34.356 -7.02038 67.0682 -52.2146 -34.356 -52.2146 -12.6477 GPRESSAVG: 2403000 -43.4868 -7.74507 -35.1643 -8.06924 67.7647 -52.0539 -34.4398 -53.4203 -12.7409 TIMING: 2403000 CPU: 6964.18, 0.00290041/step Wall: 6964.18, 0.00290041/step, 2.09232 hours remaining, 209.203125 MB of memory in use. ENERGY: 2403000 754.6590 2006.7167 1969.0607 116.9035 -205771.7052 17619.2782 0.0000 0.0000 34256.4980 -149048.5889 299.1705 -183305.0869 -148954.2294 300.2569 -52.0697 -17.1297 559079.5171 3.9473 3.8457 PRESSURE: 2403200 -29.4004 27.1248 -12.16 27.1236 47.8063 -189.107 -12.1599 -189.105 99.7933 GPRESSURE: 2403200 -3.46364 82.7588 49.2546 28.4948 101.66 -203.219 28.7894 -186.351 97.4248 PRESSAVG: 2403200 -15.1206 6.54515 -27.5611 6.54519 -14.6299 -0.569692 -27.5611 -0.56975 27.9964 GPRESSAVG: 2403200 -15.4345 5.75544 -27.5616 7.20174 -14.9223 -1.57249 -29.7766 0.6445 28.5258 TIMING: 2403200 CPU: 6964.76, 0.00289977/step Wall: 6964.76, 0.00289977/step, 2.0917 hours remaining, 209.203125 MB of memory in use. ENERGY: 2403200 751.4032 2081.0164 1942.8103 120.1955 -206280.3902 17846.1021 0.0000 0.0000 34187.7014 -149351.1614 298.5697 -183538.8628 -149257.4139 298.6893 39.3997 65.2071 558322.3902 -0.5847 -0.6103 PRESSURE: 2403400 -16.3328 0.361048 -9.28317 0.362365 -157.254 -80.497 -9.28271 -80.4972 -248.92 GPRESSURE: 2403400 46.1403 -41.6254 -47.4591 20.1173 -154.881 -50.8095 43.7895 -122.319 -216.562 PRESSAVG: 2403400 12.5238 73.7159 -40.1734 73.7158 16.576 8.99671 -40.1733 8.99662 -31.4435 GPRESSAVG: 2403400 13.3419 72.7195 -39.4775 74.0361 16.1847 11.6743 -39.5612 7.08352 -31.6288 TIMING: 2403400 CPU: 6965.34, 0.00289937/step Wall: 6965.34, 0.00289937/step, 2.09125 hours remaining, 209.203125 MB of memory in use. ENERGY: 2403400 731.0549 2062.9341 1952.6844 113.9249 -205962.2383 17764.0767 0.0000 0.0000 34198.2377 -149139.3257 298.6617 -183337.5633 -149039.7651 299.1613 -140.8356 -108.4342 558977.0007 -0.7812 -0.7007 PRESSURE: 2403600 -132.446 29.2177 -92.6568 29.2168 -26.5138 -93.4999 -92.6554 -93.4979 -378.245 GPRESSURE: 2403600 -75.766 68.9344 -87.0952 -22.0942 17.9808 -41.2645 -54.9003 -161.198 -359.176 PRESSAVG: 2403600 -3.45372 -6.04349 -20.1855 -6.04337 -32.3557 25.495 -20.1855 25.4949 33.8953 GPRESSAVG: 2403600 -2.86728 -4.03583 -19.49 -7.81985 -31.4775 24.9279 -20.411 26.2847 32.1767 TIMING: 2403600 CPU: 6965.92, 0.00292524/step Wall: 6965.92, 0.00292524/step, 2.10975 hours remaining, 209.203125 MB of memory in use. ENERGY: 2403600 761.1941 2061.6509 1948.1408 101.3386 -205793.1269 17563.6328 0.0000 0.0000 34127.3301 -149229.8397 298.0425 -183357.1698 -149140.8496 299.5783 -179.0679 -138.9872 557559.0660 -0.6380 -0.7227 PRESSURE: 2403800 -112.915 -94.1543 158.283 -94.1543 -64.641 -97.3945 158.282 -97.3945 -171.233 GPRESSURE: 2403800 -105.539 -68.2952 126.623 -71.0962 22.6121 -37.2599 116 -152.807 -175.95 PRESSAVG: 2403800 -43.1865 -15.2781 -13.1912 -15.2781 41.3988 3.87952 -13.1912 3.87956 -42.0297 GPRESSAVG: 2403800 -42.9837 -15.6094 -13.8054 -13.3256 39.7179 4.42581 -12.6585 1.71615 -40.8166 TIMING: 2403800 CPU: 6966.51, 0.00292304/step Wall: 6966.51, 0.00292304/step, 2.108 hours remaining, 209.203125 MB of memory in use. ENERGY: 2403800 725.9150 2053.5944 1962.3325 123.3233 -205889.0517 17530.3620 0.0000 0.0000 34238.7149 -149254.8095 299.0152 -183493.5244 -149155.5689 298.8973 -116.2629 -86.2920 558276.9696 -14.6058 -14.6941 PRESSURE: 2404000 -25.7864 -81.8798 125.891 -81.878 -140.42 12.5963 125.892 12.5958 178.272 GPRESSURE: 2404000 4.19711 -111.973 128.911 -85.3558 -89.3259 9.07687 63.1638 71.9585 195.226 PRESSAVG: 2404000 -2.20638 -4.08383 2.57711 -4.08382 31.468 37.7531 2.57706 37.7531 -1.80342 GPRESSAVG: 2404000 -3.71563 -2.84493 1.48477 -4.72183 31.9259 37.3099 2.16354 37.9357 -1.16302 TIMING: 2404000 CPU: 6967.09, 0.00289376/step Wall: 6967.09, 0.00289376/step, 2.08672 hours remaining, 209.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2404000 711.3101 2073.6783 1965.6694 109.6443 -206075.8428 17859.7790 0.0000 0.0000 34185.1482 -149170.6133 298.5474 -183355.7615 -149074.1805 299.5099 4.0222 36.6991 558761.0576 9.1527 9.0158 PRESSURE: 2404200 -129.362 4.70082 128.554 4.70055 -111.577 -169.681 128.554 -169.68 -232.565 GPRESSURE: 2404200 -110.457 37.9528 111.102 8.20505 -38.4418 -157.539 159.848 -145.71 -229.087 PRESSAVG: 2404200 -16.1658 11.294 9.48903 11.294 28.1794 4.67911 9.48908 4.67899 -42.7307 GPRESSAVG: 2404200 -15.8249 10.8883 9.12411 12.0638 27.6793 1.96783 9.71907 8.40295 -42.8111 TIMING: 2404200 CPU: 6967.66, 0.0028866/step Wall: 6967.66, 0.0028866/step, 2.0814 hours remaining, 209.203125 MB of memory in use. ENERGY: 2404200 745.4071 2055.4932 1959.1717 135.1625 -206164.9043 17681.4333 0.0000 0.0000 34349.2590 -149238.9775 299.9806 -183588.2365 -149141.2748 299.9888 -157.8348 -125.9951 558341.9757 -10.2390 -10.3189 LDB: ============= START OF LOAD BALANCING ============== 6971.05 LDB: ============== END OF LOAD BALANCING =============== 6971.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6971.05 LDB: ============= START OF LOAD BALANCING ============== 6971.34 LDB: Largest compute 4820 load 0.025768 is 21.8% of average load 0.117940 LDB: Average compute 0.001751 is 1.5% of average load 0.117940 LDB: TIME 6971.34 LOAD: AVG 0.11794 MAX 0.17967 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.703 MB LDB: TIME 6971.34 LOAD: AVG 0.11794 MAX 0.17967 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.703 MB LDB: TIME 6971.34 LOAD: AVG 0.11794 MAX 0.17967 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6971.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6971.35 PRESSURE: 2404400 -274.477 12.585 130.316 12.5832 -222.598 -94.1443 130.316 -94.1427 -57.3387 GPRESSURE: 2404400 -258.905 7.61798 148.223 41.4688 -181.066 -71.4702 160.486 -74.1259 -26.0286 PRESSAVG: 2404400 -66.9539 42.5456 25.1813 42.5457 -44.4965 -51.3529 25.1812 -51.3529 27.1127 GPRESSAVG: 2404400 -68.1232 44.0378 25.0295 42.0424 -42.4048 -50.0461 23.724 -51.0276 26.3039 TIMING: 2404400 CPU: 6968.25, 0.00293347/step Wall: 6968.25, 0.00293347/step, 2.11503 hours remaining, 210.289062 MB of memory in use. ENERGY: 2404400 745.3708 2150.8240 1961.5822 123.4106 -205851.6667 17502.4863 0.0000 0.0000 34298.2675 -149069.7254 299.5353 -183367.9929 -148971.5054 299.4610 -184.8044 -155.3334 558967.2543 -28.1126 -28.0747 PRESSURE: 2404600 50.4411 24.7282 89.8517 24.7292 -124.965 -37.5154 89.851 -37.5156 -86.3152 GPRESSURE: 2404600 -7.11969 -27.8119 113.265 28.6329 -41.2961 -136.906 101.045 -40.1046 -17.7079 PRESSAVG: 2404600 -34.2903 45.1369 44.5133 45.137 37.3491 -26.7268 44.5133 -26.7266 34.5876 GPRESSAVG: 2404600 -33.3245 42.5658 45.3758 46.3772 36.4208 -27.1556 46.7795 -27.8187 33.795 TIMING: 2404600 CPU: 6968.83, 0.00290728/step Wall: 6968.83, 0.00290728/step, 2.09599 hours remaining, 210.289062 MB of memory in use. ENERGY: 2404600 712.2756 2129.8861 1952.0048 115.7634 -206299.7902 17822.6867 0.0000 0.0000 34467.4324 -149099.7412 301.0127 -183567.1736 -148994.0645 300.0670 -53.6132 -22.0412 557590.1198 12.5488 12.2971 PRESSURE: 2404800 -290.031 73.2792 -30.1479 73.2812 -17.3043 -107.759 -30.1478 -107.759 -122.493 GPRESSURE: 2404800 -206.479 57.2374 -43.754 59.3303 -77.2632 -198.476 -13.4237 -71.725 -63.5199 PRESSAVG: 2404800 -83.2832 6.97069 6.18759 6.97067 75.1694 -5.01364 6.1876 -5.01371 1.20878 GPRESSAVG: 2404800 -84.9394 8.09796 5.4534 4.81893 75.2071 -2.13485 5.29321 -5.17307 2.87955 TIMING: 2404800 CPU: 6969.41, 0.00290598/step Wall: 6969.41, 0.00290598/step, 2.09489 hours remaining, 210.289062 MB of memory in use. ENERGY: 2404800 766.1569 2130.0258 1952.8073 106.5487 -206049.5406 17717.8650 0.0000 0.0000 34219.8244 -149156.3125 298.8502 -183376.1369 -149059.0665 299.6384 -143.2760 -115.7540 557891.1049 -2.3017 -2.2842 PRESSURE: 2405000 -345.129 -30.8415 130.702 -30.8422 -26.4485 -20.6375 130.702 -20.6364 -358.281 GPRESSURE: 2405000 -306.083 -71.6015 139.354 25.4481 -24.4914 -17.3641 192.585 -25.3244 -289.954 PRESSAVG: 2405000 -67.5616 -30.0052 4.51818 -30.0053 70.9026 -6.84156 4.51825 -6.84147 -0.488435 GPRESSAVG: 2405000 -66.1133 -29.729 5.49986 -29.5627 70.011 -10.4749 5.15582 -6.38355 -0.856372 TIMING: 2405000 CPU: 6970, 0.00291188/step Wall: 6970, 0.00291188/step, 2.09898 hours remaining, 210.289062 MB of memory in use. ENERGY: 2405000 733.4990 2073.4822 1944.6387 109.2630 -206212.9797 17560.8822 0.0000 0.0000 34463.2069 -149328.0077 300.9758 -183791.2146 -149227.7351 299.4595 -243.2863 -206.8426 558480.1946 0.9509 1.0138 PRESSURE: 2405200 -93.7086 -180.32 -33.1811 -180.319 -17.775 -61.7848 -33.1805 -61.7842 -67.3898 GPRESSURE: 2405200 -104.237 -189.849 -50.799 -162.059 62.5312 40.9644 -96.4727 -75.4354 -38.7833 PRESSAVG: 2405200 -29.7267 -59.9178 -52.1497 -59.9177 67.8174 17.5267 -52.1497 17.5267 -39.1717 GPRESSAVG: 2405200 -30.4789 -61.5995 -52.0015 -57.4081 68.4906 20.7835 -52.5592 16.1067 -39.8427 TIMING: 2405200 CPU: 6970.57, 0.00287604/step Wall: 6970.57, 0.00287604/step, 2.07299 hours remaining, 210.429688 MB of memory in use. ENERGY: 2405200 744.2175 2066.2976 1956.3271 113.0625 -206233.2625 17678.3248 0.0000 0.0000 34290.9858 -149384.0474 299.4717 -183675.0331 -149293.0046 299.9937 -59.6244 -26.8298 559033.8113 -0.3603 -0.6103 PRESSURE: 2405400 -43.7472 -65.1388 190.393 -65.1378 -244.504 136.737 190.392 136.738 17.7947 GPRESSURE: 2405400 -45.1422 -41.3893 139.541 -103.52 -208.461 216.44 190.645 96.043 67.8813 PRESSAVG: 2405400 34.5011 65.0795 -6.91796 65.0795 -79.513 4.88564 -6.91805 4.88559 70.7073 GPRESSAVG: 2405400 34.6469 67.3849 -8.63941 62.2538 -80.708 4.61491 -6.95529 4.30694 71.5939 TIMING: 2405400 CPU: 6971.15, 0.0028939/step Wall: 6971.15, 0.0028939/step, 2.0857 hours remaining, 210.429688 MB of memory in use. ENERGY: 2405400 767.0151 2111.8240 1944.4503 126.2326 -206522.6282 17830.9968 0.0000 0.0000 34295.3324 -149446.7770 299.5097 -183742.1094 -149342.1063 299.0698 -90.1521 -61.9073 558412.1338 8.5651 8.5110 PRESSURE: 2405600 -141.219 132.282 -71.8907 132.282 -99.2692 -107.524 -71.8921 -107.523 -138.584 GPRESSURE: 2405600 -114.96 191.367 -97.2 -5.81671 -83.4475 -215.854 -128.849 -98.5867 -81.4536 PRESSAVG: 2405600 65.678 49.1097 36.8829 49.1097 -57.8097 23.0891 36.8829 23.089 -24.4321 GPRESSAVG: 2405600 65.8869 49.0184 36.0747 48.2266 -57.6233 21.2989 37.6734 23.735 -24.6427 TIMING: 2405600 CPU: 6971.73, 0.00287866/step Wall: 6971.73, 0.00287866/step, 2.07455 hours remaining, 210.429688 MB of memory in use. ENERGY: 2405600 753.4781 2064.1102 1956.9379 121.2415 -206331.1295 17745.2580 0.0000 0.0000 34463.2354 -149226.8684 300.9760 -183690.1038 -149138.0050 299.4140 -126.3575 -93.2869 558359.6170 -5.5213 -5.4597 PRESSURE: 2405800 73.601 87.5078 72.6747 87.5085 31.7304 131.39 72.6733 131.389 80.5055 GPRESSURE: 2405800 95.7516 -4.9278 -0.746896 177.438 102.839 110.502 101.239 168.648 92.8618 PRESSAVG: 2405800 10.2833 5.31759 44.1575 5.31754 -32.7025 -31.066 44.1576 -31.066 -11.2413 GPRESSAVG: 2405800 10.6279 4.40681 45.4661 6.54667 -31.7072 -32.1231 43.369 -31.2961 -12.3435 TIMING: 2405800 CPU: 6972.3, 0.00289015/step Wall: 6972.3, 0.00289015/step, 2.08267 hours remaining, 210.429688 MB of memory in use. ENERGY: 2405800 718.8993 2139.1124 1929.0169 113.9597 -206201.8775 17806.6323 0.0000 0.0000 34186.3491 -149307.9078 298.5579 -183494.2568 -149208.6849 299.1995 61.9456 97.1509 555930.6456 -11.2202 -11.1409 PRESSURE: 2406000 62.4123 73.7416 -1.59449 73.7413 -196.992 34.1005 -1.59372 34.1018 17.7572 GPRESSURE: 2406000 152.63 6.69506 45.3087 186.608 -182.864 11.483 5.6574 5.72013 10.0076 PRESSAVG: 2406000 33.0904 -10.2917 49.7479 -10.2917 3.72921 31.3535 49.748 31.3537 -1.53188 GPRESSAVG: 2406000 33.4632 -9.58762 50.6196 -10.3996 2.17169 34.3903 49.247 30.493 -0.0852371 TIMING: 2406000 CPU: 6972.88, 0.00289747/step Wall: 6972.88, 0.00289747/step, 2.08779 hours remaining, 210.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2406000 747.5104 2066.1900 1950.6404 106.1203 -206073.1054 17768.6342 0.0000 0.0000 34134.8541 -149299.1560 298.1082 -183434.0101 -149201.4894 299.4743 -38.9407 -6.7423 556699.4225 11.7626 11.8499 PRESSURE: 2406200 -473.632 64.6937 -85.6539 64.6938 -280.476 42.1585 -85.6534 42.1583 100.174 GPRESSURE: 2406200 -419.779 85.3144 -119.136 159.788 -251.899 143.889 -108.744 -39.2909 124.195 PRESSAVG: 2406200 -65.7174 24.4556 -60.9573 24.4555 15.9758 51.5115 -60.9574 51.5116 38.9871 GPRESSAVG: 2406200 -66.3267 24.8026 -60.9372 24.3156 17.3141 50.8936 -62.2721 52.8688 38.7778 TIMING: 2406200 CPU: 6973.46, 0.00289541/step Wall: 6973.46, 0.00289541/step, 2.08614 hours remaining, 210.429688 MB of memory in use. ENERGY: 2406200 731.2169 2027.1986 1954.1139 118.6859 -205852.6682 17596.8699 0.0000 0.0000 34132.5016 -149292.0814 298.0876 -183424.5831 -149195.8686 299.0135 -217.9779 -182.4941 558720.8485 -3.5848 -3.4116 PRESSURE: 2406400 69.5512 -3.67496 259.779 -3.6741 -128.539 -22.2919 259.779 -22.2904 209.302 GPRESSURE: 2406400 76.1998 13.7837 193.797 39.6284 -99.1208 -74.9128 307.409 34.232 267.263 PRESSAVG: 2406400 -121.138 73.6374 -5.19223 73.6374 52.4927 -3.43906 -5.19224 -3.43913 92.9799 GPRESSAVG: 2406400 -120.432 71.5282 -5.95564 74.9904 52.7162 -3.28274 -1.87621 -4.54357 91.7373 TIMING: 2406400 CPU: 6974.04, 0.00290135/step Wall: 6974.04, 0.00290135/step, 2.09026 hours remaining, 210.429688 MB of memory in use. ENERGY: 2406400 756.4318 2056.5793 1936.5610 126.8213 -206493.7517 17972.8036 0.0000 0.0000 34269.8918 -149374.6629 299.2875 -183644.5547 -149281.4038 299.3228 50.1047 81.4474 556702.5332 8.1114 8.0072 PRESSURE: 2406600 45.555 2.17727 103.759 2.17718 -118.195 146.371 103.759 146.371 74.1253 GPRESSURE: 2406600 100.706 14.0915 58.6504 -3.10592 -130.847 149.67 62.2014 93.4672 134.86 PRESSAVG: 2406600 -52.3286 -52.3355 -14.4096 -52.3355 47.6877 -70.5195 -14.4096 -70.5195 -24.4625 GPRESSAVG: 2406600 -50.9361 -51.6275 -14.6063 -54.2125 46.4616 -71.8816 -17.0552 -68.0897 -24.6403 TIMING: 2406600 CPU: 6974.62, 0.00289744/step Wall: 6974.62, 0.00289744/step, 2.08729 hours remaining, 210.429688 MB of memory in use. ENERGY: 2406600 761.1983 2064.7394 1960.5380 100.9776 -206214.0425 17905.2610 0.0000 0.0000 34359.9256 -149061.4026 300.0738 -183421.3281 -148962.4092 299.3802 0.4952 34.9064 557028.3100 -9.7011 -9.7049 PRESSURE: 2406800 -84.9428 79.1621 -93.5647 79.1619 -35.7313 58.12 -93.5649 58.1185 39.5852 GPRESSURE: 2406800 -38.6825 65.8562 -43.0014 53.3619 37.4664 68.1179 -100.965 0.311303 20.744 PRESSAVG: 2406800 48.2303 -26.5877 -17.3464 -26.5877 -3.58545 17.1704 -17.3464 17.1704 -61.5534 GPRESSAVG: 2406800 47.5694 -25.6292 -13.8969 -26.1273 -3.19101 18.7398 -17.7994 15.5449 -60.1842 TIMING: 2406800 CPU: 6975.21, 0.00292552/step Wall: 6975.21, 0.00292552/step, 2.10735 hours remaining, 210.429688 MB of memory in use. ENERGY: 2406800 788.5790 2006.5555 1961.1342 97.4494 -206117.3284 17875.5734 0.0000 0.0000 34337.4354 -149050.6017 299.8774 -183388.0371 -148953.2205 299.7639 -27.0296 6.5093 557058.9399 -5.6362 -5.2686 PRESSURE: 2407000 157.568 -117.947 -245.223 -117.947 -136.192 -63.6359 -245.223 -63.6341 -82.7741 GPRESSURE: 2407000 207.508 -113.389 -215.204 -121.823 -93.2897 -114.477 -219.036 11.2484 -68.7094 PRESSAVG: 2407000 15.5396 8.64853 22.0439 8.64853 36.601 -41.8605 22.044 -41.8605 -30.0767 GPRESSAVG: 2407000 14.9321 8.7911 19.4215 9.98769 36.8958 -44.1748 23.3576 -40.2837 -29.5277 TIMING: 2407000 CPU: 6975.79, 0.00291388/step Wall: 6975.79, 0.00291388/step, 2.0988 hours remaining, 210.429688 MB of memory in use. ENERGY: 2407000 723.2962 2064.7390 1949.4050 129.5207 -206052.4341 17711.6638 0.0000 0.0000 34195.8242 -149277.9852 298.6406 -183473.8094 -149189.8937 299.7203 -20.4661 15.1697 556726.0912 7.3547 7.4334 PRESSURE: 2407200 5.19474 66.0611 37.2763 66.0602 187.593 -41.4709 37.2765 -41.4692 18.1442 GPRESSURE: 2407200 30.7846 8.6604 26.7784 85.2031 196.89 -43.3271 59.225 13.6879 80.735 PRESSAVG: 2407200 47.3375 -5.29623 24.318 -5.2962 29.0402 -16.5365 24.318 -16.5363 -63.8028 GPRESSAVG: 2407200 47.7522 -7.10033 24.0426 -6.38212 28.6595 -17.1079 24.0794 -16.0631 -62.9211 TIMING: 2407200 CPU: 6976.37, 0.00291181/step Wall: 6976.37, 0.00291181/step, 2.09715 hours remaining, 210.429688 MB of memory in use. ENERGY: 2407200 740.7072 2081.1751 1939.4024 124.4893 -206480.3292 17930.0817 0.0000 0.0000 34500.4889 -149163.9847 301.3014 -183664.4736 -149067.9524 298.9339 70.3105 102.8033 556744.5448 4.1916 4.4969 PRESSURE: 2407400 -379.129 -62.9102 -94.8077 -62.9095 -160.181 -56.4063 -94.8081 -56.407 -121.068 GPRESSURE: 2407400 -337.197 -80.3835 -50.5775 -94.0166 -119.417 -85.4882 -88.8837 53.8596 -98.3675 PRESSAVG: 2407400 -1.04182 -17.382 -5.08373 -17.382 44.8621 -16.0222 -5.08368 -16.0222 -16.8811 GPRESSAVG: 2407400 -0.251348 -16.6524 -4.47337 -16.5504 46.3386 -16.9601 -4.29632 -15.4775 -19.4024 TIMING: 2407400 CPU: 6976.95, 0.00288732/step Wall: 6976.95, 0.00288732/step, 2.07935 hours remaining, 210.429688 MB of memory in use. ENERGY: 2407400 745.5853 2069.0026 1955.9934 110.0626 -206165.1981 17611.0752 0.0000 0.0000 34496.7951 -149176.6839 301.2691 -183673.4789 -149084.5224 300.1730 -220.1262 -184.9938 558021.5850 8.9797 8.8950 PRESSURE: 2407600 26.2238 232.425 -55.534 232.426 -187.357 -25.1315 -55.5337 -25.1329 -16.5985 GPRESSURE: 2407600 29.5805 250.02 -42.9823 254.98 -169.032 -11.1172 -61.5423 87.407 62.4057 PRESSAVG: 2407600 -38.3785 -51.3874 24.3782 -51.3874 42.9203 3.51315 24.3782 3.51309 -19.3653 GPRESSAVG: 2407600 -38.9564 -51.897 23.1495 -53.2237 41.1578 6.22226 24.3052 2.02852 -17.5702 TIMING: 2407600 CPU: 6977.53, 0.00289493/step Wall: 6977.53, 0.00289493/step, 2.08467 hours remaining, 210.664062 MB of memory in use. ENERGY: 2407600 750.1016 2094.4341 1972.6842 107.3532 -206024.7046 17648.1309 0.0000 0.0000 34338.5470 -149113.4537 299.8871 -183452.0007 -149010.5640 299.8363 -59.2437 -25.6818 557457.7858 -4.9412 -5.1229 PRESSURE: 2407800 -0.308815 -74.1443 195.697 -74.145 -36.0189 81.7118 195.697 81.7112 107.405 GPRESSURE: 2407800 59.0157 -64.6637 224.297 -95.5517 -37.8296 28.6267 108.643 148.538 148.879 PRESSAVG: 2407800 95.5316 10.7373 -4.0101 10.7373 -28.3819 38.4158 -4.01001 38.4158 -54.7138 GPRESSAVG: 2407800 96.1988 11.7936 -5.08471 10.8967 -26.7886 38.9556 -3.69883 37.4843 -56.4217 TIMING: 2407800 CPU: 6978.11, 0.00288622/step Wall: 6978.11, 0.00288622/step, 2.07824 hours remaining, 210.664062 MB of memory in use. ENERGY: 2407800 766.6546 2077.3552 1930.1112 100.9932 -206442.2769 18023.7884 0.0000 0.0000 34219.6308 -149323.7435 298.8485 -183543.3743 -149225.6666 299.4950 23.6924 56.6885 558006.2141 4.1453 4.3295 PRESSURE: 2408000 -80.3245 -212.153 -46.9829 -212.153 -175.975 77.0768 -46.9833 77.0765 113.551 GPRESSURE: 2408000 -70.3369 -134.448 -99.2649 -222.745 -93.446 174.46 30.6831 138.977 130.918 PRESSAVG: 2408000 10.2311 -2.65881 14.1692 -2.65883 6.33095 13.7025 14.1692 13.7024 0.0264156 GPRESSAVG: 2408000 8.73727 -4.26203 17.0368 -3.05996 6.82797 12.7261 12.1237 15.5435 1.44869 TIMING: 2408000 CPU: 6978.68, 0.00288408/step Wall: 6978.68, 0.00288408/step, 2.07654 hours remaining, 210.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2408000 723.3063 2092.6666 1941.6165 98.2538 -206177.1533 17713.2277 0.0000 0.0000 34192.7446 -149415.3379 298.6137 -183608.0824 -149318.1795 299.3507 -47.5830 -10.9551 557393.6576 5.5295 5.6713 PRESSURE: 2408200 -134.288 -19.1525 86.3421 -19.1535 56.8045 -16.2707 86.3426 -16.2712 270.628 GPRESSURE: 2408200 -49.4694 -77.7525 90.313 -44.1644 91.8347 -82.3729 -28.393 -78.7292 252.432 PRESSAVG: 2408200 -58.8098 -24.5408 31.1811 -24.5409 -11.0461 11.8563 31.1813 11.8563 49.1078 GPRESSAVG: 2408200 -58.5219 -21.885 32.0845 -22.316 -11.2745 11.3912 29.1927 12.0178 49.1766 TIMING: 2408200 CPU: 6979.26, 0.00288945/step Wall: 6979.26, 0.00288945/step, 2.08024 hours remaining, 210.664062 MB of memory in use. ENERGY: 2408200 793.8486 2156.3612 1964.3936 120.5072 -206871.9780 18071.1843 0.0000 0.0000 34321.9339 -149443.7492 299.7420 -183765.6831 -149354.6995 298.6933 64.3817 98.2657 556111.9231 -6.9160 -6.8733 LDB: ============= START OF LOAD BALANCING ============== 6982.65 LDB: ============== END OF LOAD BALANCING =============== 6982.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6982.65 LDB: ============= START OF LOAD BALANCING ============== 6982.94 LDB: Largest compute 4820 load 0.026412 is 22.4% of average load 0.117843 LDB: Average compute 0.001754 is 1.5% of average load 0.117843 LDB: TIME 6982.94 LOAD: AVG 0.117843 MAX 0.180435 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 6982.94 LOAD: AVG 0.117843 MAX 0.180435 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.98 MB LDB: TIME 6982.94 LOAD: AVG 0.117843 MAX 0.180435 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.98 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6982.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6982.95 PRESSURE: 2408400 -280.991 -112.004 33.6856 -112.004 -171.962 98.4838 33.686 98.4864 -277.779 GPRESSURE: 2408400 -305.268 -102.488 75.8755 -146.715 -134.734 53.3067 99.56 126.165 -182.82 PRESSAVG: 2408400 -32.2486 4.33919 23.5338 4.33927 2.14605 35.7162 23.5338 35.7162 34.3926 GPRESSAVG: 2408400 -31.9688 2.49963 21.818 2.78357 1.56942 37.6169 25.2637 34.3142 34.7336 TIMING: 2408400 CPU: 6979.85, 0.00295672/step Wall: 6979.85, 0.00295672/step, 2.12851 hours remaining, 208.292969 MB of memory in use. ENERGY: 2408400 756.0937 2083.8354 1950.5951 109.8469 -205749.0753 17410.7629 0.0000 0.0000 34006.1790 -149431.7623 296.9844 -183437.9413 -149337.1320 299.0151 -243.5774 -207.6072 556829.8885 1.4300 1.4447 PRESSURE: 2408600 35.6325 -100.62 93.4195 -100.62 254.083 -84.095 93.4206 -84.0952 9.88733 GPRESSURE: 2408600 46.8754 -85.3708 122.626 -100.258 288.518 -77.856 78.9326 -75.5391 51.9405 PRESSAVG: 2408600 -12.5075 -13.794 1.30913 -13.794 38.6432 -18.8595 1.30911 -18.8595 -32.9871 GPRESSAVG: 2408600 -12.8436 -14.2095 0.519422 -13.0983 39.2341 -19.4513 2.91826 -19.6633 -33.5766 TIMING: 2408600 CPU: 6980.43, 0.00289837/step Wall: 6980.43, 0.00289837/step, 2.08634 hours remaining, 208.292969 MB of memory in use. ENERGY: 2408600 728.7217 2119.1305 1959.2763 113.5488 -206260.5054 17907.9156 0.0000 0.0000 34228.5729 -149203.3396 298.9266 -183431.9124 -149105.5304 298.4178 99.8676 129.1114 556899.0532 -2.2838 -2.3953 PRESSURE: 2408800 -9.5781 -46.9953 -44.5506 -46.9946 60.8583 -238.181 -44.5507 -238.181 141.948 GPRESSURE: 2408800 57.3975 -128.387 -0.722674 -31.3632 153.035 -119.843 13.0312 -290.602 84.0907 PRESSAVG: 2408800 7.17372 -38.6788 -15.7352 -38.6788 59.1021 -7.61575 -15.7351 -7.61589 -60.4267 GPRESSAVG: 2408800 8.48734 -39.3198 -14.9819 -38.3299 58.1789 -7.89065 -15.9975 -9.24055 -60.2321 TIMING: 2408800 CPU: 6981.01, 0.00289939/step Wall: 6981.01, 0.00289939/step, 2.08692 hours remaining, 208.292969 MB of memory in use. ENERGY: 2408800 733.4593 2124.2881 1962.2857 100.0307 -206431.6939 17870.5410 0.0000 0.0000 34436.3440 -149204.7451 300.7412 -183641.0892 -149108.3285 299.5182 64.4093 98.1745 556757.4733 1.9497 2.1447 PRESSURE: 2409000 -36.0053 145.957 -19.7078 145.958 59.3629 -66.7691 -19.7091 -66.7684 -178.15 GPRESSURE: 2409000 25.3984 102.506 -48.6063 182.876 85.0035 14.3456 -62.3337 -94.87 -162.009 PRESSAVG: 2409000 10.7028 53.8793 22.2348 53.8793 16.186 -16.1089 22.2349 -16.1091 -24.4368 GPRESSAVG: 2409000 11.4706 54.9045 25.3918 53.8673 16.0349 -16.6181 19.1366 -14.7581 -24.8945 TIMING: 2409000 CPU: 6981.59, 0.00287866/step Wall: 6981.59, 0.00287866/step, 2.07183 hours remaining, 208.292969 MB of memory in use. ENERGY: 2409000 731.8270 2100.9815 1949.1060 102.2182 -206218.3314 17829.2808 0.0000 0.0000 34314.7953 -149190.1226 299.6796 -183504.9179 -149094.0540 299.8221 -51.5976 -17.2023 557087.8723 0.8173 0.8703 PRESSURE: 2409200 -256.705 -54.2558 178.676 -54.2552 -152.901 -4.22363 178.675 -4.22429 -204.23 GPRESSURE: 2409200 -238.426 -39.1831 189.755 -87.5163 -103.692 45.8278 84.6623 -6.30735 -164.804 PRESSAVG: 2409200 9.45305 19.1763 23.1134 19.1764 -32.6361 -57.6154 23.1134 -57.6155 14.8011 GPRESSAVG: 2409200 8.8465 22.2853 22.2507 17.4261 -31.8021 -57.19 25.2055 -58.0302 14.747 TIMING: 2409200 CPU: 6982.16, 0.00288676/step Wall: 6982.16, 0.00288676/step, 2.07751 hours remaining, 208.292969 MB of memory in use. ENERGY: 2409200 758.3932 2127.3089 1934.1957 107.5265 -205777.8807 17478.1428 0.0000 0.0000 34022.0436 -149350.2701 297.1230 -183372.3137 -149253.5624 298.5450 -204.6117 -168.9742 558347.9089 -2.7940 -2.7362 PRESSURE: 2409400 260.116 -110.654 8.21314 -110.654 -61.4676 176.75 8.21243 176.75 257.513 GPRESSURE: 2409400 290.888 -95.5118 17.4098 -136.483 -23.1615 214.85 -16.9131 149.301 285.141 PRESSAVG: 2409400 -58.6341 17.7277 10.4882 17.7277 36.9676 25.5674 10.4882 25.5674 17.6735 GPRESSAVG: 2409400 -59.4386 14.7522 9.83863 17.959 36.9816 26.7864 9.11614 25.2933 18.429 TIMING: 2409400 CPU: 6982.74, 0.00287495/step Wall: 6982.74, 0.00287495/step, 2.06884 hours remaining, 208.292969 MB of memory in use. ENERGY: 2409400 750.4315 2127.2710 1954.8300 114.4192 -206235.9098 17975.1774 0.0000 0.0000 34005.2729 -149308.5079 296.9765 -183313.7807 -149212.0326 298.5049 152.0537 184.2892 555710.4279 -1.3310 -1.3427 PRESSURE: 2409600 -160.473 -66.3623 -13.7825 -66.363 -152.881 119.716 -13.7816 119.716 -95.8773 GPRESSURE: 2409600 -133.579 -30.2063 36.1465 -131.043 -98.6575 160.133 -32.5027 78.3084 -77.7553 PRESSAVG: 2409600 -19.5651 -55.503 8.01229 -55.503 11.173 -80.7927 8.01236 -80.7926 24.712 GPRESSAVG: 2409600 -19.7516 -54.1983 8.10534 -54.2005 10.8811 -83.9243 8.13682 -77.6286 25.3027 TIMING: 2409600 CPU: 6983.32, 0.00288275/step Wall: 6983.32, 0.00288275/step, 2.0743 hours remaining, 208.292969 MB of memory in use. ENERGY: 2409600 743.8096 2135.4911 1976.7323 108.1157 -205961.7221 17442.1354 0.0000 0.0000 34355.3446 -149200.0935 300.0338 -183555.4381 -149104.0282 298.2821 -136.4106 -103.3306 557014.2899 5.4400 5.4774 PRESSURE: 2409800 22.2914 13.7397 59.4384 13.7406 25.3033 -48.3828 59.4385 -48.3828 -35.6601 GPRESSURE: 2409800 108.268 -57.2204 133.189 58.4521 32.7246 33.5291 71.6113 -182.233 -29.8987 PRESSAVG: 2409800 12.5405 -39.2693 42.7344 -39.2692 20.5994 -39.6836 42.7343 -39.6836 -19.3611 GPRESSAVG: 2409800 12.2763 -40.977 40.8111 -38.2206 20.9985 -37.1059 42.3488 -41.5962 -19.8649 TIMING: 2409800 CPU: 6983.9, 0.00289706/step Wall: 6983.9, 0.00289706/step, 2.08444 hours remaining, 208.292969 MB of memory in use. ENERGY: 2409800 774.8746 2079.3517 1935.3329 110.9298 -206246.2886 17776.7826 0.0000 0.0000 34300.3257 -149268.6914 299.5533 -183569.0170 -149170.1923 299.6029 3.9782 37.0315 556465.2650 4.5929 4.4700 PRESSURE: 2410000 -97.442 12.8772 -43.8142 12.8781 -355.31 -8.81187 -43.8147 -8.81168 -132.46 GPRESSURE: 2410000 -47.3721 -31.474 1.56685 50.2804 -333.72 -122.995 -70.1767 -21.5669 -90.6976 PRESSAVG: 2410000 -34.4899 -19.6059 58.7306 -19.6059 14.6327 -19.8852 58.7306 -19.8852 6.03304 GPRESSAVG: 2410000 -34.1374 -17.8639 59.0308 -21.5205 14.2874 -20.9321 58.3096 -20.4888 6.03125 TIMING: 2410000 CPU: 6984.47, 0.00286718/step Wall: 6984.47, 0.00286718/step, 2.06277 hours remaining, 208.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2410000 747.2569 2091.5328 1957.7293 111.5731 -206147.8593 17545.7139 0.0000 0.0000 34074.5535 -149619.4998 297.5816 -183694.0533 -149515.7695 298.4815 -195.0708 -157.2632 557387.6953 -4.6081 -4.6063 PRESSURE: 2410200 -78.2217 46.0815 -61.4776 46.0811 -165.642 218.737 -61.4769 218.738 -374.088 GPRESSURE: 2410200 -50.0381 29.5155 -24.0114 69.6945 -142.606 119.003 -74.2851 181.648 -335.732 PRESSAVG: 2410200 0.448915 3.6122 20.6286 3.61221 40.6677 -28.2212 20.6287 -28.2214 -28.6851 GPRESSAVG: 2410200 -0.53071 4.72886 20.4095 6.04433 41.0963 -28.0149 22.5811 -27.0826 -28.4471 TIMING: 2410200 CPU: 6985.05, 0.00288317/step Wall: 6985.05, 0.00288318/step, 2.07412 hours remaining, 208.292969 MB of memory in use. ENERGY: 2410200 713.3448 2112.4545 1987.3407 126.8330 -206038.9421 17509.7202 0.0000 0.0000 33958.0920 -149631.1569 296.5645 -183589.2489 -149530.5028 298.4237 -205.9840 -176.1252 557801.8861 4.1438 4.0395 PRESSURE: 2410400 22.7399 -96.8002 13.2078 -96.7996 -3.57672 -93.5246 13.2077 -93.5236 207.784 GPRESSURE: 2410400 64.2145 -138.682 43.0937 -31.1659 44.6758 -76.5315 -71.6259 -85.4001 217.592 PRESSAVG: 2410400 3.12265 13.0885 -22.0608 13.0885 3.54035 -20.8422 -22.0608 -20.8423 7.51014 GPRESSAVG: 2410400 3.59103 10.7748 -21.1201 11.1869 3.93866 -21.1807 -23.59 -21.7429 6.40324 TIMING: 2410400 CPU: 6985.63, 0.00291485/step Wall: 6985.63, 0.00291485/step, 2.09675 hours remaining, 208.292969 MB of memory in use. ENERGY: 2410400 709.1891 2070.3654 1935.5626 105.2337 -206733.1751 18004.9197 0.0000 0.0000 34183.0209 -149724.8838 298.5288 -183907.9047 -149637.3259 298.1604 75.6491 108.8274 557822.5661 4.7244 4.6443 PRESSURE: 2410600 -199.161 84.2109 198.317 84.2108 -173.327 -95.8762 198.317 -95.876 24.8203 GPRESSURE: 2410600 -105.306 80.5792 135.218 87.1178 -166.745 35.1189 188.775 -105.934 4.7955 PRESSAVG: 2410600 2.67994 -15.849 -36.2965 -15.849 0.267958 -53.9154 -36.2964 -53.9154 -11.2111 GPRESSAVG: 2410600 2.80643 -13.6413 -38.1186 -17.3412 -0.0602031 -52.0844 -35.5696 -55.5616 -11.2626 TIMING: 2410600 CPU: 6986.21, 0.00290227/step Wall: 6986.21, 0.00290227/step, 2.08754 hours remaining, 208.292969 MB of memory in use. ENERGY: 2410600 707.4195 2106.7279 1957.2133 114.7238 -206469.9340 17738.0640 0.0000 0.0000 34226.7234 -149619.0621 298.9105 -183845.7854 -149518.8566 298.1214 -115.8892 -89.0853 557412.8139 -2.7544 -2.8388 PRESSURE: 2410800 92.2357 42.5424 -83.702 42.5413 -245.865 -26.5311 -83.7017 -26.5303 -289.336 GPRESSURE: 2410800 78.2041 50.2945 -38.536 77.7047 -211.937 35.7793 -140.034 -43.6949 -202.907 PRESSAVG: 2410800 -39.2307 35.7883 -42.6316 35.7884 28.5306 -10.0761 -42.6315 -10.0761 -39.0626 GPRESSAVG: 2410800 -38.9682 35.2541 -42.8953 37.7868 27.6861 -9.85141 -42.8912 -9.18215 -37.9919 TIMING: 2410800 CPU: 6986.79, 0.00289312/step Wall: 6986.79, 0.00289312/step, 2.0808 hours remaining, 208.292969 MB of memory in use. ENERGY: 2410800 761.8311 2084.4429 1939.3303 109.5868 -206080.9611 17498.5658 0.0000 0.0000 34166.9844 -149520.2198 298.3888 -183687.2042 -149427.6169 298.9129 -147.6550 -112.2135 555651.0579 -16.5876 -16.4247 PRESSURE: 2411000 340.079 -179.597 78.7749 -179.597 125.995 30.522 78.7754 30.5221 37.1697 GPRESSURE: 2411000 323.601 -188.558 75.4731 -185.913 242.057 74.0291 37.371 -10.5619 41.2271 PRESSAVG: 2411000 85.8061 11.5728 -8.05957 11.5729 -26.1464 14.3962 -8.05955 14.3962 -11.6572 GPRESSAVG: 2411000 85.7724 9.78296 -7.17095 11.7948 -25.316 12.9641 -8.83829 14.6099 -12.149 TIMING: 2411000 CPU: 6987.36, 0.00287427/step Wall: 6987.36, 0.00287427/step, 2.06708 hours remaining, 208.292969 MB of memory in use. ENERGY: 2411000 724.3780 2099.9149 1987.3641 109.3641 -206713.6796 17995.8858 0.0000 0.0000 34217.7756 -149578.9970 298.8323 -183796.7727 -149482.5067 298.2481 167.7481 202.2948 554919.4176 16.0008 16.1025 PRESSURE: 2411200 -260.376 -69.6861 -29.069 -69.6872 -294.577 -43.5304 -29.069 -43.5309 -61.6484 GPRESSURE: 2411200 -199.503 11.374 98.4722 -82.5913 -286.45 -22.6248 -62.939 -148.553 -38.8225 PRESSAVG: 2411200 -24.1403 -7.51789 24.4097 -7.51782 -9.89554 -9.84573 24.4096 -9.84586 38.8884 GPRESSAVG: 2411200 -22.9889 -6.77405 25.9517 -8.59721 -10.6403 -8.13661 23.4678 -11.4745 38.3654 TIMING: 2411200 CPU: 6987.94, 0.00287991/step Wall: 6987.94, 0.00287991/step, 2.07097 hours remaining, 208.292969 MB of memory in use. ENERGY: 2411200 771.4837 2116.2548 1940.4103 131.0861 -206467.3322 17585.3746 0.0000 0.0000 34244.7092 -149678.0135 299.0676 -183922.7227 -149575.0115 297.9986 -205.5339 -174.9254 556204.8080 1.6175 1.5787 PRESSURE: 2411400 27.2023 123.069 -2.58287 123.069 159.058 -81.1297 -2.58222 -81.1297 26.0226 GPRESSURE: 2411400 40.2978 91.2448 -12.3813 141.335 196.336 -43.1054 44.2436 -29.8738 74.9069 PRESSAVG: 2411400 33.1574 48.9812 -2.69012 48.9813 -5.04796 -0.263652 -2.69018 -0.263785 9.76245 GPRESSAVG: 2411400 33.0105 50.2017 -3.99163 48.2417 -5.94811 -1.56199 0.125543 1.41038 10.7955 TIMING: 2411400 CPU: 6988.51, 0.00287076/step Wall: 6988.51, 0.00287076/step, 2.06424 hours remaining, 208.292969 MB of memory in use. ENERGY: 2411400 740.5552 2157.9074 1957.5002 110.1603 -206828.6609 18062.8086 0.0000 0.0000 34236.7673 -149562.9618 298.9982 -183799.7291 -149463.9485 298.4793 70.7611 103.8468 556073.4741 12.6240 12.6193 PRESSURE: 2411600 -250.839 -8.05617 -173.054 -8.05529 0.32439 233.845 -173.055 233.846 174.15 GPRESSURE: 2411600 -221.344 -9.5318 -247.247 2.75778 44.4341 199.98 -178.668 224.799 185.596 PRESSAVG: 2411600 1.23403 1.38099 5.39721 1.38097 7.04651 6.17952 5.39723 6.17951 -18.3967 GPRESSAVG: 2411600 1.4908 2.87701 6.87895 2.75836 7.76415 5.36038 3.44411 6.75287 -19.2406 TIMING: 2411600 CPU: 6989.09, 0.00287984/step Wall: 6989.09, 0.00287984/step, 2.0706 hours remaining, 208.347656 MB of memory in use. ENERGY: 2411600 694.9310 2162.6554 1940.2514 113.3966 -206636.2189 17929.7852 0.0000 0.0000 34054.7598 -149740.4395 297.4087 -183795.1993 -149639.9888 298.3429 -25.4549 2.8955 558056.7009 -3.3720 -3.3286 PRESSURE: 2411800 47.813 -17.6533 -66.1792 -17.6528 76.5777 -120.056 -66.1787 -120.054 -63.0215 GPRESSURE: 2411800 15.8838 34.1018 -27.3891 -77.0518 152.959 -122.982 -138.475 -93.1266 -6.28001 PRESSAVG: 2411800 -9.63028 -50.0237 -88.2713 -50.0237 0.199401 10.5409 -88.2711 10.541 -33.4949 GPRESSAVG: 2411800 -9.90473 -52.8181 -91.6332 -49.7745 1.0085 10.4452 -85.5146 11.6198 -34.6675 TIMING: 2411800 CPU: 6989.67, 0.00288809/step Wall: 6989.67, 0.00288809/step, 2.07637 hours remaining, 208.347656 MB of memory in use. ENERGY: 2411800 717.8307 2122.7927 1934.2731 127.2706 -206513.3922 17684.6075 0.0000 0.0000 34117.0780 -149809.5396 297.9529 -183926.6176 -149712.1064 296.8967 20.4564 54.1876 557195.7498 -14.3086 -14.5212 PRESSURE: 2412000 125.171 -46.0512 -107.839 -46.0513 70.7744 -13.6317 -107.839 -13.6322 49.2106 GPRESSURE: 2412000 199.5 -22.3979 -232.109 -43.2652 156.016 -75.1517 -124.983 -27.8909 -12.4292 PRESSAVG: 2412000 2.26787 13.1402 -26.7895 13.1401 4.16796 29.0902 -26.7895 29.0901 -37.8695 GPRESSAVG: 2412000 3.01043 11.713 -25.5573 11.7198 3.26479 29.7494 -28.22 29.0539 -37.9033 TIMING: 2412000 CPU: 6990.24, 0.00288726/step Wall: 6990.24, 0.00288726/step, 2.07562 hours remaining, 208.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2412000 719.5160 2119.1487 1934.3322 108.5492 -206894.1506 18085.0302 0.0000 0.0000 34273.9867 -149653.5875 299.3233 -183927.5742 -149551.5798 297.8625 81.7187 114.3625 556795.0965 -10.4779 -10.5427 PRESSURE: 2412200 -54.1407 55.3836 -46.2146 55.3844 4.62514 -142.801 -46.2139 -142.802 -79.6183 GPRESSURE: 2412200 7.06682 47.5105 -11.0688 17.7686 20.2776 -128.419 12.0831 -41.4198 -49.6802 PRESSAVG: 2412200 19.2717 -5.06207 -21.9788 -5.06203 -41.2032 -34.1495 -21.9789 -34.1496 -34.0678 GPRESSAVG: 2412200 17.932 -2.06968 -21.3818 -5.98075 -40.1155 -32.5507 -22.7075 -36.696 -33.5683 TIMING: 2412200 CPU: 6990.82, 0.00290379/step Wall: 6990.82, 0.00290379/step, 2.08734 hours remaining, 208.347656 MB of memory in use. ENERGY: 2412200 744.0566 2072.8589 1959.2827 105.5991 -206436.7986 17920.7608 0.0000 0.0000 34104.1886 -149530.0519 297.8404 -183634.2405 -149431.5663 298.0660 -43.0446 -7.4452 558712.5115 -18.6664 -18.5839 LDB: ============= START OF LOAD BALANCING ============== 6994.21 LDB: ============== END OF LOAD BALANCING =============== 6994.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6994.21 LDB: ============= START OF LOAD BALANCING ============== 6994.5 LDB: Largest compute 4820 load 0.025623 is 21.7% of average load 0.117930 LDB: Average compute 0.001754 is 1.5% of average load 0.117930 LDB: TIME 6994.5 LOAD: AVG 0.11793 MAX 0.179922 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.066 MB LDB: TIME 6994.5 LOAD: AVG 0.11793 MAX 0.179922 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.27 MB LDB: TIME 6994.5 LOAD: AVG 0.11793 MAX 0.179922 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6994.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6994.51 PRESSURE: 2412400 -326.12 255.124 247.572 255.126 -85.3322 122.955 247.573 122.957 -168.309 GPRESSURE: 2412400 -253.745 227.302 227.891 254.318 -118.655 149.567 164.138 131.753 -104.104 PRESSAVG: 2412400 0.714442 -37.1538 -3.37103 -37.1538 31.4425 24.0368 -3.37104 24.0369 7.6791 GPRESSAVG: 2412400 1.14992 -40.377 -2.69577 -34.2249 31.6998 22.1698 -4.31084 24.3887 7.32888 TIMING: 2412400 CPU: 6991.41, 0.00294563/step Wall: 6991.41, 0.00294563/step, 2.11725 hours remaining, 207.699219 MB of memory in use. ENERGY: 2412400 765.6702 2106.7790 1942.5991 103.0291 -206251.5383 17665.5678 0.0000 0.0000 34283.8892 -149384.0040 299.4097 -183667.8932 -149293.5336 298.8502 -193.2537 -158.8346 558857.1393 13.2787 13.3929 PRESSURE: 2412600 -23.7655 -192.316 -6.81559 -192.317 96.9942 -2.06404 -6.81566 -2.0637 224.662 GPRESSURE: 2412600 71.8952 -206.441 129.453 -156.573 74.4334 69.257 -33.0846 79.7069 232.522 PRESSAVG: 2412600 32.5377 21.1533 34.0826 21.1534 4.00831 43.3192 34.0826 43.3192 -58.3129 GPRESSAVG: 2412600 31.9794 23.5542 35.5462 19.7723 4.12119 44.4181 34.9788 43.4541 -57.591 TIMING: 2412600 CPU: 6991.99, 0.00290035/step Wall: 6991.99, 0.00290035/step, 2.08454 hours remaining, 207.699219 MB of memory in use. ENERGY: 2412600 749.3668 2101.5742 1989.5323 116.0893 -206587.6270 18094.8435 0.0000 0.0000 34218.0347 -149318.1861 298.8346 -183536.2207 -149223.6320 298.7792 99.2968 126.2837 558659.2442 -7.2556 -7.1634 PRESSURE: 2412800 -250.671 55.1979 -74.4759 55.198 -184.973 112.681 -74.4747 112.681 -284.576 GPRESSURE: 2412800 -163.805 52.8829 -119.721 82.6189 -166.113 78.924 -121.089 139.976 -292.496 PRESSAVG: 2412800 3.93025 -0.563311 28.8493 -0.563332 -33.0846 -9.25425 28.8492 -9.25427 26.0679 GPRESSAVG: 2412800 5.59977 -0.48842 27.3259 0.711033 -34.0614 -11.1272 29.3975 -9.26922 26.0221 TIMING: 2412800 CPU: 6992.57, 0.00287584/step Wall: 6992.57, 0.00287584/step, 2.06677 hours remaining, 207.699219 MB of memory in use. ENERGY: 2412800 770.0029 2078.9171 1956.9072 116.3590 -206448.2376 17782.1163 0.0000 0.0000 34387.5806 -149356.3546 300.3153 -183743.9352 -149257.8950 299.7639 -240.0731 -207.4711 558475.1791 -1.0288 -0.8132 PRESSURE: 2413000 -394.472 -32.6045 -17.0712 -32.6055 -244.461 -103.458 -17.0711 -103.458 -201.562 GPRESSURE: 2413000 -348.703 22.2324 -64.6615 -83.1354 -170.465 -98.9701 15.2699 -113.966 -219.115 PRESSAVG: 2413000 20.8731 -12.1369 68.685 -12.1369 -4.94911 -33.3333 68.685 -33.3333 25.4526 GPRESSAVG: 2413000 19.797 -11.8335 68.0529 -13.405 -4.98029 -31.8002 69.4163 -35.2662 26.5008 TIMING: 2413000 CPU: 6993.15, 0.00288623/step Wall: 6993.15, 0.00288623/step, 2.07407 hours remaining, 207.699219 MB of memory in use. ENERGY: 2413000 811.1873 2032.3004 1951.8088 110.8878 -206034.4373 17645.1617 0.0000 0.0000 34096.4717 -149386.6198 297.7730 -183483.0915 -149285.0305 298.9202 -280.1653 -246.0944 559060.0744 13.7922 13.7725 PRESSURE: 2413200 176.563 104.542 7.37003 104.541 -101.874 -135.192 7.37159 -135.192 -100.297 GPRESSURE: 2413200 177.936 33.6736 85.6529 140.734 -68.9184 -121.765 -58.6833 -38.5868 -47.5023 PRESSAVG: 2413200 4.9124 0.179359 7.55498 0.179389 -17.3355 -49.7208 7.55493 -49.7206 22.2136 GPRESSAVG: 2413200 5.0296 -0.982862 9.62994 0.788465 -16.477 -51.3035 5.16059 -48.2925 21.4893 TIMING: 2413200 CPU: 6993.72, 0.00287408/step Wall: 6993.72, 0.00287408/step, 2.06518 hours remaining, 207.699219 MB of memory in use. ENERGY: 2413200 757.9654 2122.7057 1933.7155 102.0056 -206471.8595 18024.8846 0.0000 0.0000 34238.9174 -149291.6653 299.0170 -183530.5827 -149195.4483 299.2850 -8.5360 20.5051 559045.9710 3.2635 3.3473 PRESSURE: 2413400 291.088 -94.8943 -6.57923 -94.8949 67.0931 -173.842 -6.57954 -173.842 98.2236 GPRESSURE: 2413400 322.215 -25.2291 23.5838 -124.692 86.6623 -147.918 -71.8151 -168.921 152.244 PRESSAVG: 2413400 69.4442 -36.0388 -36.0033 -36.0388 -45.415 -57.8977 -36.0033 -57.8976 -41.3416 GPRESSAVG: 2413400 68.8794 -34.94 -38.7348 -35.6051 -45.5821 -56.3792 -33.1278 -58.2826 -40.749 TIMING: 2413400 CPU: 6994.3, 0.00290231/step Wall: 6994.3, 0.00290231/step, 2.08531 hours remaining, 207.699219 MB of memory in use. ENERGY: 2413400 718.9435 2082.4726 1964.8857 114.0401 -206585.5285 18128.2352 0.0000 0.0000 34376.5096 -149200.4417 300.2186 -183576.9513 -149108.0354 298.5884 152.1349 187.0406 557261.2406 -5.7708 -5.8172 PRESSURE: 2413600 29.4768 201.38 243.693 201.382 -132.488 -11.5827 243.692 -11.5822 -335.753 GPRESSURE: 2413600 30.784 131.684 181.223 101.161 -68.2706 -43.3658 199.464 88.0943 -311.134 PRESSAVG: 2413600 82.3402 -9.76912 -37.6353 -9.76901 -84.611 13.6211 -37.6352 13.621 -33.9606 GPRESSAVG: 2413600 82.4806 -12.1962 -36.1625 -8.95351 -86.1876 11.4239 -38.9212 15.6089 -32.2445 TIMING: 2413600 CPU: 6994.88, 0.002877/step Wall: 6994.88, 0.002877/step, 2.06697 hours remaining, 207.699219 MB of memory in use. ENERGY: 2413600 742.4737 2091.2477 1949.8874 105.1029 -206004.6433 17697.8724 0.0000 0.0000 34211.3851 -149206.6741 298.7765 -183418.0592 -149108.1267 299.6244 -146.2546 -116.2070 560006.3514 -12.0771 -11.9838 PRESSURE: 2413800 -70.8913 -11.783 -55.0217 -11.7833 23.9478 135.167 -55.0209 135.168 -87.7785 GPRESSURE: 2413800 -58.9501 154.942 -20.8877 -136.305 92.7248 141.434 -148.869 54.5764 -74.8771 PRESSAVG: 2413800 33.9394 7.52962 -33.3694 7.52962 -14.86 6.01987 -33.3693 6.01991 -14.1524 GPRESSAVG: 2413800 33.9608 8.03693 -32.9359 6.02596 -13.0667 8.036 -34.5293 7.67042 -15.8809 TIMING: 2413800 CPU: 6995.45, 0.00288644/step Wall: 6995.45, 0.00288644/step, 2.07358 hours remaining, 207.699219 MB of memory in use. ENERGY: 2413800 753.5194 2081.7708 1937.6031 103.6120 -206345.7711 17824.3724 0.0000 0.0000 34535.9710 -149108.9225 301.6112 -183644.8935 -149007.5494 299.2063 -44.9074 -13.7008 558237.3141 1.6423 1.6711 PRESSURE: 2414000 152.313 -47.5496 -172.848 -47.5497 124.702 -104.161 -172.849 -104.161 -31.4846 GPRESSURE: 2414000 205.122 39.0624 -120.191 -45.0274 133.002 -176.743 -216.06 -42.6282 -1.30585 PRESSAVG: 2414000 68.4109 -3.65117 -29.0184 -3.65121 -27.8476 20.1277 -29.0184 20.1278 -90.0598 GPRESSAVG: 2414000 68.7669 -1.17867 -29.0275 -3.00558 -27.7412 21.3764 -28.7678 18.0575 -90.5441 TIMING: 2414000 CPU: 6996.03, 0.00287747/step Wall: 6996.03, 0.00287747/step, 2.06698 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2414000 736.7906 2059.8203 1945.3538 97.1463 -206264.4287 17964.7452 0.0000 0.0000 34397.9501 -149062.6225 300.4059 -183460.5725 -148963.0120 299.0780 81.8432 112.2728 556334.9530 -16.4989 -16.5061 PRESSURE: 2414200 -128.367 -5.36838 17.1233 -5.36823 -69.16 125.107 17.124 125.107 -17.6199 GPRESSURE: 2414200 -109.43 -17.1039 -45.2164 80.8892 -8.25707 140.079 -7.24366 84.5295 -4.99122 PRESSAVG: 2414200 -2.8314 -54.8798 25.4303 -54.8797 -21.4314 34.6221 25.4301 34.6221 20.2285 GPRESSAVG: 2414200 -3.25756 -56.4501 25.3605 -54.9182 -22.9972 31.5871 27.6144 36.9211 21.1838 TIMING: 2414200 CPU: 6996.6, 0.00287464/step Wall: 6996.6, 0.00287464/step, 2.06479 hours remaining, 207.699219 MB of memory in use. ENERGY: 2414200 735.9930 2035.6805 1972.5122 114.5338 -206016.4307 17756.4840 0.0000 0.0000 34438.0195 -148963.2076 300.7558 -183401.2271 -148866.3415 299.3019 -71.7155 -40.8927 557631.9616 -1.3448 -1.6903 PRESSURE: 2414400 -164.376 110.276 -125.41 110.275 -148.401 -171.985 -125.409 -171.984 44.5965 GPRESSURE: 2414400 -142.94 189.523 -107.789 127.823 -75.4059 -129.086 -28.9348 -202.192 53.5276 PRESSAVG: 2414400 -7.88985 25.5764 -47.5153 25.5763 49.2017 24.2264 -47.5151 24.2265 -28.3796 GPRESSAVG: 2414400 -7.80153 26.6965 -47.7423 22.8806 50.4516 25.336 -48.1221 23.0356 -29.1397 TIMING: 2414400 CPU: 6997.18, 0.00289819/step Wall: 6997.18, 0.00289819/step, 2.08154 hours remaining, 207.699219 MB of memory in use. ENERGY: 2414400 771.1362 2082.4739 1953.0227 109.2733 -205857.1487 17532.9209 0.0000 0.0000 34619.1100 -148789.2119 302.3373 -183408.3218 -148690.9750 300.6825 -89.3935 -54.9394 556641.6576 4.3108 4.5035 PRESSURE: 2414600 -54.7846 97.4283 144.214 97.4286 -231.769 -31.8634 144.214 -31.8647 -86.2567 GPRESSURE: 2414600 -62.6372 132.524 97.7749 68.945 -198.632 -91.4269 145.277 -31.3995 -18.4601 PRESSAVG: 2414600 -14.7437 13.9809 33.7124 13.9809 33.556 29.7757 33.7124 29.7758 22.6323 GPRESSAVG: 2414600 -14.0155 14.3318 33.5893 16.826 32.7259 28.959 32.0746 28.8303 23.0943 TIMING: 2414600 CPU: 6997.76, 0.00288586/step Wall: 6997.76, 0.00288586/step, 2.07253 hours remaining, 207.699219 MB of memory in use. ENERGY: 2414600 738.4210 2150.3136 1960.3916 111.8544 -205892.8688 17596.3256 0.0000 0.0000 34378.7872 -148956.7752 300.2385 -183335.5625 -148859.0731 300.7525 -124.2703 -93.2431 556611.6964 13.8149 13.9349 PRESSURE: 2414800 -91.9729 46.874 -232.657 46.8734 -292.866 137.277 -232.659 137.276 -51.2456 GPRESSURE: 2414800 -105.362 20.8643 -196.06 -21.6142 -229.677 166.762 -125.517 131.503 -0.534248 PRESSAVG: 2414800 61.5486 43.8205 -18.5744 43.8205 -34.8713 2.23849 -18.5743 2.23844 -22.5228 GPRESSAVG: 2414800 60.6691 41.8215 -18.087 42.9091 -33.9388 2.99899 -16.3467 1.11531 -23.0621 TIMING: 2414800 CPU: 6998.34, 0.00287997/step Wall: 6998.34, 0.00287997/step, 2.06814 hours remaining, 207.699219 MB of memory in use. ENERGY: 2414800 767.8133 2067.0938 1923.2658 115.9392 -205731.4904 17541.0848 0.0000 0.0000 34379.1974 -148937.0961 300.2421 -183316.2935 -148846.5875 300.8228 -145.3615 -111.8579 557213.2413 1.3848 1.2227 PRESSURE: 2415000 -135.273 -101.39 106.736 -101.389 -6.63112 -20.4231 106.735 -20.4216 -34.3743 GPRESSURE: 2415000 -105.994 -101.576 44.9635 -125.844 11.5593 -48.1593 81.9336 36.3701 21.2697 PRESSAVG: 2415000 92.0026 6.66389 7.26744 6.6639 -86.9247 3.13207 7.26741 3.13224 33.4348 GPRESSAVG: 2415000 93.2403 5.00744 8.5314 7.85277 -87.5113 3.45645 5.50366 3.48046 33.0721 TIMING: 2415000 CPU: 6998.91, 0.00287871/step Wall: 6998.91, 0.00287871/step, 2.06707 hours remaining, 207.699219 MB of memory in use. ENERGY: 2415000 765.6797 2102.2868 1972.5495 104.9198 -205909.9880 17745.3562 0.0000 0.0000 34223.3263 -148995.8698 298.8808 -183219.1961 -148894.3082 300.5044 -58.7595 -24.3882 558676.3705 12.8376 12.9337 PRESSURE: 2415200 174.039 80.958 139.369 80.959 -141.523 -63.961 139.369 -63.9607 23.4997 GPRESSURE: 2415200 208.605 95.5777 148.18 1.69802 -45.025 -68.1463 100.987 -105.133 -0.533699 PRESSAVG: 2415200 -6.08063 21.882 -0.1569 21.882 35.9284 -5.19211 -0.156872 -5.19216 -8.20343 GPRESSAVG: 2415200 -7.0313 26.1959 -0.183365 19.9356 37.0267 -6.79236 -0.260435 -4.90847 -8.56313 TIMING: 2415200 CPU: 6999.49, 0.00287065/step Wall: 6999.49, 0.00287065/step, 2.06113 hours remaining, 207.699219 MB of memory in use. ENERGY: 2415200 743.3553 2091.4567 1950.4098 109.0919 -205857.5881 17574.4496 0.0000 0.0000 34321.9639 -149066.8610 299.7422 -183388.8249 -148973.1407 299.4640 18.6718 54.3488 556775.9921 7.2148 7.1441 PRESSURE: 2415400 -358.099 -56.1975 7.13764 -56.1978 -138.011 103.938 7.13838 103.939 27.9052 GPRESSURE: 2415400 -263.355 -44.5658 -19.8354 -57.6171 -124.353 34.312 15.1855 72.6098 15.3044 PRESSAVG: 2415400 -19.0061 20.9759 44.7045 20.9759 32.8376 -34.4258 44.7045 -34.4258 -18.2123 GPRESSAVG: 2415400 -18.7666 18.1359 42.4382 21.4021 31.4725 -33.5667 45.2165 -34.8351 -17.3611 TIMING: 2415400 CPU: 7000.06, 0.00287032/step Wall: 7000.06, 0.00287032/step, 2.06073 hours remaining, 207.699219 MB of memory in use. ENERGY: 2415400 701.0791 2038.2405 1937.3420 116.3899 -206017.7389 17471.1772 0.0000 0.0000 34418.7175 -149334.7928 300.5872 -183753.5103 -149237.5197 299.0152 -156.0685 -124.1342 558092.4310 -1.4602 -1.5517 PRESSURE: 2415600 -122.787 -32.8959 -78.9398 -32.8958 -227.971 -25.094 -78.9393 -25.0939 -239.496 GPRESSURE: 2415600 -103.585 31.5469 -92.7458 -65.9774 -161.818 -54.4791 -50.648 -6.91591 -214.461 PRESSAVG: 2415600 -70.6969 -1.05176 18.3307 -1.05174 70.0953 -15.5837 18.3306 -15.5837 -2.48509 GPRESSAVG: 2415600 -70.8923 -0.996649 17.8613 -0.0210742 71.6154 -17.1357 19.1818 -13.5159 -3.86985 TIMING: 2415600 CPU: 7000.63, 0.00285696/step Wall: 7000.63, 0.00285696/step, 2.05098 hours remaining, 207.699219 MB of memory in use. ENERGY: 2415600 749.8500 2077.7033 1942.8664 102.3649 -206295.0108 17826.3669 0.0000 0.0000 34287.7204 -149308.1389 299.4432 -183595.8593 -149210.9601 299.3121 -196.7512 -159.9548 558122.1461 -1.0289 -1.0489 PRESSURE: 2415800 -90.1474 -99.4817 -17.4711 -99.481 230.83 247.236 -17.4714 247.236 -313.63 GPRESSURE: 2415800 -33.018 -219.056 36.548 -0.0884128 258.344 220.509 -98.7073 245.395 -296.13 PRESSAVG: 2415800 -22.1384 -36.2255 0.085104 -36.2255 79.4849 -13.2699 0.0850364 -13.2698 -44.7586 GPRESSAVG: 2415800 -21.738 -34.6793 2.3398 -35.1319 80.0155 -13.2024 -0.710146 -14.0816 -45.0198 TIMING: 2415800 CPU: 7001.2, 0.00285327/step Wall: 7001.2, 0.00285327/step, 2.04817 hours remaining, 207.699219 MB of memory in use. ENERGY: 2415800 764.3482 2065.1841 1959.2096 103.1497 -206308.9730 17844.7306 0.0000 0.0000 34217.3785 -149354.9723 298.8289 -183572.3508 -149252.4185 298.7209 -57.6491 -23.6014 557865.4770 4.1959 4.4192 PRESSURE: 2416000 -253.477 -54.8833 16.4647 -54.8833 -311.719 23.0048 16.4634 23.0041 -288.71 GPRESSURE: 2416000 -235.873 -47.7917 63.3725 -61.5716 -255.628 24.9443 -3.179 55.4464 -273.857 PRESSAVG: 2416000 -60.4134 -25.3544 52.9968 -25.3544 94.8894 -3.26811 52.9967 -3.26825 -59.3928 GPRESSAVG: 2416000 -59.9974 -28.9689 53.896 -25.5821 93.8919 -3.35486 53.2802 -3.42079 -58.9686 TIMING: 2416000 CPU: 7001.78, 0.0028664/step Wall: 7001.78, 0.0028664/step, 2.05744 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2416000 781.3618 2074.6647 1949.1344 115.9915 -205966.0984 17507.8783 0.0000 0.0000 34121.7167 -149415.3511 297.9934 -183537.0677 -149313.7823 298.5713 -284.6354 -255.1192 557724.1363 -8.3056 -8.3580 PRESSURE: 2416200 55.5847 -105.669 9.86373 -105.67 -71.1792 -225.907 9.86321 -225.906 -52.8122 GPRESSURE: 2416200 140.685 -118.106 -1.0045 -84.2754 -51.6925 -252.724 -52.8862 -201.15 -49.2106 PRESSAVG: 2416200 8.34019 -29.9333 2.4064 -29.9334 -14.7718 27.5945 2.40638 27.5944 -3.86492 GPRESSAVG: 2416200 8.38651 -27.1358 -0.528471 -31.6095 -15.9853 25.6661 3.28136 27.9049 -2.6369 TIMING: 2416200 CPU: 7002.35, 0.00286061/step Wall: 7002.35, 0.00286061/step, 2.05313 hours remaining, 207.699219 MB of memory in use. ENERGY: 2416200 746.6440 2071.8098 1958.8909 127.9309 -206360.4561 17901.2573 0.0000 0.0000 34179.9817 -149373.9414 298.5023 -183553.9231 -149279.8644 298.8029 -22.8022 13.2607 557485.7052 -3.4322 -3.4119 LDB: ============= START OF LOAD BALANCING ============== 7005.73 LDB: ============== END OF LOAD BALANCING =============== 7005.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7005.73 LDB: ============= START OF LOAD BALANCING ============== 7006.02 LDB: Largest compute 4820 load 0.026143 is 22.2% of average load 0.117871 LDB: Average compute 0.001756 is 1.5% of average load 0.117871 LDB: TIME 7006.02 LOAD: AVG 0.117871 MAX 0.179766 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.746 MB LDB: TIME 7006.02 LOAD: AVG 0.117871 MAX 0.179766 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.746 MB LDB: TIME 7006.02 LOAD: AVG 0.117871 MAX 0.179766 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.746 MB LDB: ============== END OF LOAD BALANCING =============== 7006.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7006.03 PRESSURE: 2416400 12.6933 -8.63489 14.6416 -8.635 -231.255 -47.0502 14.6406 -47.0496 -284.601 GPRESSURE: 2416400 89.4862 29.9758 -28.5069 -40.7672 -255.659 -13.2436 -74.1673 48.8183 -251.431 PRESSAVG: 2416400 32.0332 5.93733 -31.2655 5.93726 -4.21093 4.97467 -31.2655 4.97471 -48.8569 GPRESSAVG: 2416400 31.9552 6.188 -29.0076 5.66241 -3.46552 5.24996 -32.4924 6.84505 -49.5208 TIMING: 2416400 CPU: 7002.93, 0.00292791/step Wall: 7002.93, 0.00292791/step, 2.10127 hours remaining, 209.250000 MB of memory in use. ENERGY: 2416400 760.0132 2037.2149 1945.7101 107.0645 -206347.7570 17716.4500 0.0000 0.0000 34384.5792 -149396.7251 300.2891 -183781.3042 -149314.3288 299.0598 -167.7210 -139.2010 557809.4443 -7.0116 -7.0104 PRESSURE: 2416600 42.7156 -131.171 86.1147 -131.171 -87.6598 -70.8283 86.1154 -70.8295 -114.745 GPRESSURE: 2416600 99.6566 -38.3242 85.7267 -178.161 -88.4343 -14.7633 140.193 -63.4132 -60.7627 PRESSAVG: 2416600 53.6184 1.19222 -25.6322 1.19216 -45.0979 -11.8182 -25.6322 -11.8182 -28.0962 GPRESSAVG: 2416600 54.7081 0.0092779 -26.6634 0.814781 -45.8472 -9.39882 -27.2663 -13.0146 -28.2883 TIMING: 2416600 CPU: 7003.51, 0.00287573/step Wall: 7003.51, 0.00287573/step, 2.06366 hours remaining, 209.750000 MB of memory in use. ENERGY: 2416600 711.5757 2092.6269 1963.6953 111.3018 -205990.7816 17702.7218 0.0000 0.0000 34128.4883 -149280.3719 298.0526 -183408.8601 -149177.1439 298.9590 -53.2298 -16.5135 557292.1603 -6.5253 -6.4758 PRESSURE: 2416800 -42.2323 107.897 43.3153 107.897 -89.9091 -173.781 43.3166 -173.782 375.427 GPRESSURE: 2416800 -31.7164 187.508 62.575 60.6738 -46.6166 -186.011 47.5665 -272.743 419.538 PRESSAVG: 2416800 42.1309 0.354464 16.8429 0.354468 -17.3205 -4.69316 16.8428 -4.69306 -67.5197 GPRESSAVG: 2416800 41.0348 3.11633 16.9831 1.37571 -16.3793 -4.70698 16.7216 -6.42104 -68.273 TIMING: 2416800 CPU: 7004.08, 0.00286599/step Wall: 7004.08, 0.00286599/step, 2.0565 hours remaining, 209.750000 MB of memory in use. ENERGY: 2416800 780.4306 2078.9560 1969.8971 107.8114 -206538.9545 18031.7550 0.0000 0.0000 34487.4036 -149082.7008 301.1871 -183570.1044 -148988.5549 299.6656 81.0953 113.7350 556557.7783 -14.2364 -14.5392 PRESSURE: 2417000 15.1542 124.896 -77.5367 124.894 86.2794 -19.5871 -77.5369 -19.5893 85.6198 GPRESSURE: 2417000 23.8146 97.1729 64.6826 25.1882 134.174 -25.171 -177.179 -21.0602 137.001 PRESSAVG: 2417000 -54.0504 53.1533 5.30378 53.1532 6.74996 47.1058 5.30381 47.1058 68.5566 GPRESSAVG: 2417000 -54.5681 51.2355 6.97417 52.9706 6.33086 45.0512 6.07532 48.7877 69.9574 TIMING: 2417000 CPU: 7004.66, 0.00287489/step Wall: 7004.66, 0.00287489/step, 2.06273 hours remaining, 209.750000 MB of memory in use. ENERGY: 2417000 747.3316 2063.0731 1952.2065 110.1389 -206274.7256 17848.1323 0.0000 0.0000 34257.0862 -149296.7570 299.1757 -183553.8431 -149204.4470 299.5901 62.3511 98.3299 557368.4123 7.0854 7.2400 PRESSURE: 2417200 -3.28911 -183.461 -90.4531 -183.462 -24.4002 127.286 -90.4537 127.286 -55.1879 GPRESSURE: 2417200 -18.9659 -93.4975 -156.324 -188.213 46.66 129.321 -28.36 146.438 -14.2354 PRESSAVG: 2417200 -51.8052 -33.3138 36.2377 -33.3138 40.5139 13.5759 36.2377 13.5758 3.74802 GPRESSAVG: 2417200 -51.6202 -31.7952 34.3374 -35.3118 40.1637 14.4682 38.7208 14.7765 4.40668 TIMING: 2417200 CPU: 7005.23, 0.00287624/step Wall: 7005.23, 0.00287624/step, 2.06354 hours remaining, 209.750000 MB of memory in use. ENERGY: 2417200 751.1103 2061.7174 1961.4726 97.2917 -206275.1789 17845.0786 0.0000 0.0000 34184.6872 -149373.8212 298.5434 -183558.5084 -149273.5301 298.5062 -27.6258 4.4862 558241.9466 -2.5144 -2.3500 PRESSURE: 2417400 45.3154 40.6531 135.034 40.6533 99.7329 146.276 135.033 146.277 -95.7644 GPRESSURE: 2417400 48.3646 129.74 137.813 -62.0254 153.981 93.2326 161.053 128.954 -39.3733 PRESSAVG: 2417400 -55.0055 14.1858 31.1266 14.1859 -4.78068 68.8285 31.1266 68.8285 56.2388 GPRESSAVG: 2417400 -55.7252 11.558 31.5781 15.9976 -4.41695 68.8361 30.2164 67.9376 56.4302 TIMING: 2417400 CPU: 7005.81, 0.00287096/step Wall: 7005.81, 0.00287096/step, 2.0596 hours remaining, 209.804688 MB of memory in use. ENERGY: 2417400 725.1218 2099.5118 1977.4042 116.7655 -206376.8315 17849.8585 0.0000 0.0000 34225.9739 -149382.1957 298.9039 -183608.1697 -149284.3160 299.5633 16.4280 54.3241 556408.0286 -1.1825 -1.2373 PRESSURE: 2417600 -89.644 -17.136 171.115 -17.1354 -44.3936 79.1701 171.115 79.1709 -56.8265 GPRESSURE: 2417600 -48.1592 -75.036 223.12 -21.9766 -10.9819 19.488 243.861 135.963 -46.2816 PRESSAVG: 2417600 15.7273 -18.5841 35.3732 -18.584 -26.8942 50.71 35.3732 50.71 28.3827 GPRESSAVG: 2417600 15.7096 -17.3303 37.2296 -19.8026 -26.6861 50.9807 32.6707 52.8942 28.0955 TIMING: 2417600 CPU: 7006.38, 0.00288218/step Wall: 7006.38, 0.00288218/step, 2.06748 hours remaining, 209.804688 MB of memory in use. ENERGY: 2417600 726.4955 2077.9625 1961.6967 124.2827 -206251.3260 17810.8553 0.0000 0.0000 34204.6736 -149345.3598 298.7179 -183550.0334 -149246.1427 299.5305 -63.6214 -35.1409 557830.9185 5.7386 5.7063 PRESSURE: 2417800 27.5663 110.632 98.6174 110.634 -112.114 75.328 98.6177 75.3305 159.51 GPRESSURE: 2417800 82.7992 39.6332 96.4282 27.093 -107.54 48.0693 97.8789 -1.08558 190.97 PRESSAVG: 2417800 55.3307 -56.2242 6.3819 -56.2241 23.6933 9.90195 6.38191 9.90203 -59.4831 GPRESSAVG: 2417800 55.5538 -56.4118 4.76389 -55.0883 22.5934 10.3569 8.70439 5.71051 -58.559 TIMING: 2417800 CPU: 7006.96, 0.00287507/step Wall: 7006.96, 0.00287507/step, 2.06222 hours remaining, 209.804688 MB of memory in use. ENERGY: 2417800 707.5986 2069.9888 1967.7392 126.8068 -206564.6396 18007.8199 0.0000 0.0000 34089.3837 -149595.3026 297.7111 -183684.6864 -149503.1650 298.9855 24.9875 55.4095 557150.3488 6.5136 6.5294 PRESSURE: 2418000 -143.925 47.3808 -132.735 47.3807 -229.833 16.6487 -132.736 16.647 238.168 GPRESSURE: 2418000 -81.1421 -13.0101 -60.5197 18.1611 -237.03 -2.14441 -147.115 -35.4733 284.766 PRESSAVG: 2418000 -30.4166 -32.4939 30.0283 -32.494 32.2445 -9.76916 30.0283 -9.76922 15.7254 GPRESSAVG: 2418000 -31.3723 -31.1893 31.3869 -33.8382 33.2897 -8.73024 27.898 -8.41314 14.9914 TIMING: 2418000 CPU: 7007.54, 0.00288231/step Wall: 7007.54, 0.00288231/step, 2.06726 hours remaining, 209.804688 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: 2418000 743.1261 2141.6360 1936.3766 109.1882 -206408.1224 17794.7106 0.0000 0.0000 34200.4187 -149482.6662 298.6808 -183683.0849 -149383.5951 298.4676 -45.1964 -11.1355 557951.3667 5.8511 5.6363 PRESSURE: 2418200 -251.432 -59.8941 71.5397 -59.893 -9.61528 -99.2079 71.5382 -99.2098 -7.2741 GPRESSURE: 2418200 -198.474 -9.34899 54.233 -42.5061 -42.2489 -151.401 124.704 -83.5157 58.768 PRESSAVG: 2418200 -15.3124 -67.0357 -22.423 -67.0357 -20.0626 -11.6049 -22.4229 -11.605 -2.84926 GPRESSAVG: 2418200 -13.5434 -67.7243 -22.8926 -66.9166 -21.0054 -13.4288 -20.2305 -9.60214 -3.95208 TIMING: 2418200 CPU: 7008.11, 0.00288143/step Wall: 7008.11, 0.00288143/step, 2.06646 hours remaining, 209.804688 MB of memory in use. ENERGY: 2418200 734.7544 2166.1416 1980.9213 114.2918 -206356.8874 17689.2398 0.0000 0.0000 34188.4337 -149483.1049 298.5761 -183671.5385 -149389.6173 298.1401 -89.4403 -60.6517 557437.0367 -12.7414 -12.8336 PRESSURE: 2418400 -89.0771 -12.2932 -42.1563 -12.2927 123.848 -12.2899 -42.1564 -12.2896 114.491 GPRESSURE: 2418400 -61.8238 -1.45246 10.4361 -15.2165 173.78 -99.8624 -67.9234 59.3972 124.696 PRESSAVG: 2418400 -21.4083 16.8643 -22.6847 16.8643 81.0042 15.5142 -22.6847 15.5141 -36.5797 GPRESSAVG: 2418400 -22.5621 16.4118 -23.377 16.4944 81.3947 15.4893 -22.7409 15.3985 -36.3274 TIMING: 2418400 CPU: 7008.69, 0.00289764/step Wall: 7008.69, 0.00289764/step, 2.07793 hours remaining, 209.804688 MB of memory in use. ENERGY: 2418400 708.8952 2124.3802 1948.2824 118.4811 -206330.7918 17786.8856 0.0000 0.0000 34418.2937 -149225.5738 300.5835 -183643.8674 -149132.1501 299.3962 49.7541 78.8840 557202.5796 7.6721 7.5017 PRESSURE: 2418600 166.238 -49.5648 108.754 -49.5659 70.1399 -134.885 108.753 -134.884 -298.452 GPRESSURE: 2418600 166.955 -27.2912 50.5659 20.3762 105.406 -48.6456 214.705 -142.126 -237.602 PRESSAVG: 2418600 -6.43933 -5.1561 -39.0379 -5.15613 61.9335 38.2359 -39.0378 38.2359 -46.7105 GPRESSAVG: 2418600 -7.92481 -4.77746 -40.793 -6.73012 62.6948 38.6605 -37.5857 37.6164 -46.2316 TIMING: 2418600 CPU: 7009.27, 0.00289038/step Wall: 7009.27, 0.00289038/step, 2.07256 hours remaining, 209.855469 MB of memory in use. ENERGY: 2418600 748.2339 2051.9250 1967.5359 108.9661 -206003.6410 17768.2551 0.0000 0.0000 34227.5935 -149131.1315 298.9181 -183358.7250 -149034.8280 299.5554 -20.6914 11.5864 557305.0723 2.9279 2.8461 PRESSURE: 2418800 110.626 -201.471 81.761 -201.469 -142.94 -63.572 81.7602 -63.5748 -4.40218 GPRESSURE: 2418800 130.117 -255.711 -0.314623 -220.031 -60.9614 -16.3291 104.236 -99.6183 -20.4337 PRESSAVG: 2418800 7.30763 -27.5343 6.08179 -27.5343 65.0371 27.8464 6.08195 27.8463 -55.5461 GPRESSAVG: 2418800 7.33794 -27.4601 5.92121 -27.181 64.8388 29.8898 4.134 26.3553 -55.9493 TIMING: 2418800 CPU: 7009.85, 0.00289933/step Wall: 7009.85, 0.00289933/step, 2.07882 hours remaining, 209.855469 MB of memory in use. ENERGY: 2418800 727.6311 2092.1491 1974.5269 117.4862 -206168.0435 17798.5876 0.0000 0.0000 34253.8842 -149203.7784 299.1477 -183457.6626 -149105.2691 299.2750 -12.2387 16.2406 557186.1035 5.5996 5.4091 PRESSURE: 2419000 89.9473 -55.4015 98.4314 -55.401 205.189 31.6524 98.4305 31.6516 148.336 GPRESSURE: 2419000 184.092 -57.9776 0.600262 -53.7073 182.392 20.6339 196.074 -8.98713 162.046 PRESSAVG: 2419000 -23.4697 -16.9145 -27.9321 -16.9145 42.7898 42.0427 -27.932 42.0428 -38.2781 GPRESSAVG: 2419000 -21.8244 -17.45 -27.3105 -15.1719 42.4813 38.0927 -26.5507 42.808 -39.4948 TIMING: 2419000 CPU: 7010.42, 0.00287424/step Wall: 7010.42, 0.00287424/step, 2.06067 hours remaining, 209.855469 MB of memory in use. ENERGY: 2419000 765.0056 2119.4275 1972.5153 112.1848 -206612.4431 18186.1641 0.0000 0.0000 34260.1855 -149196.9604 299.2027 -183457.1459 -149102.4277 299.2112 147.8239 176.1768 557008.5702 -6.3193 -6.2793 PRESSURE: 2419200 9.88683 -12.0242 -139.056 -12.0241 121.744 -153.924 -139.056 -153.925 -108.149 GPRESSURE: 2419200 34.741 -14.6465 -175.097 39.9774 93.0997 -135.021 -142.047 -165.155 -7.67396 PRESSAVG: 2419200 -31.1585 -37.2107 -17.7878 -37.2108 28.6632 13.7995 -17.7878 13.7994 -2.86735 GPRESSAVG: 2419200 -31.2047 -34.9298 -18.324 -38.664 27.5219 15.3546 -16.5273 16.2743 -2.06248 TIMING: 2419200 CPU: 7011, 0.00285852/step Wall: 7011, 0.00285852/step, 2.04924 hours remaining, 209.855469 MB of memory in use. ENERGY: 2419200 723.9628 2089.0699 1964.9737 107.7685 -206360.7413 17886.7004 0.0000 0.0000 34396.8625 -149191.4036 300.3964 -183588.2660 -149092.6969 299.5889 7.8272 40.0556 556653.0362 -1.7876 -1.9151 PRESSURE: 2419400 129.169 89.9884 -30.0009 89.9876 96.3341 42.6425 -30.0013 42.6431 52.6228 GPRESSURE: 2419400 154.863 87.4697 -19.1811 165.782 149.103 71.915 -59.0326 24.4719 58.3432 PRESSAVG: 2419400 -11.5731 25.0937 23.1071 25.0938 0.642947 -3.00182 23.1071 -3.00176 31.0119 GPRESSAVG: 2419400 -13.1014 23.2714 26.1127 26.0861 2.21495 -1.11264 20.1574 -5.37328 30.4851 TIMING: 2419400 CPU: 7011.57, 0.00288398/step Wall: 7011.57, 0.00288398/step, 2.06733 hours remaining, 209.855469 MB of memory in use. ENERGY: 2419400 753.2944 2029.3729 1977.2756 110.4635 -206782.5148 18073.3852 0.0000 0.0000 34537.3806 -149301.3424 301.6235 -183838.7231 -149203.0772 299.9072 92.7087 120.7696 555161.6343 6.6939 6.5329 PRESSURE: 2419600 60.4144 -111.112 -42.6104 -111.111 222.967 -42.1013 -42.6103 -42.1019 -6.05074 GPRESSURE: 2419600 125.067 -201.12 -24.7529 -86.335 213.38 -172.693 -103.411 25.3087 46.4591 PRESSAVG: 2419600 -21.2503 -34.0847 41.1652 -34.0846 33.8377 -30.2305 41.1651 -30.2305 16.1615 GPRESSAVG: 2419600 -20.2512 -34.046 38.8477 -33.7513 32.4704 -32.3562 41.6913 -31.5402 16.2386 TIMING: 2419600 CPU: 7012.14, 0.00286344/step Wall: 7012.14, 0.00286345/step, 2.05245 hours remaining, 209.855469 MB of memory in use. ENERGY: 2419600 744.8139 2080.0333 1933.9932 112.8241 -206081.4635 17730.4188 0.0000 0.0000 34156.8456 -149322.5347 298.3002 -183479.3803 -149224.0676 300.2349 92.4435 128.3022 556347.1838 9.5830 9.4859 PRESSURE: 2419800 -13.5324 -72.2808 125.282 -72.2806 -88.83 172.66 125.282 172.66 33.7055 GPRESSURE: 2419800 1.65696 -87.9836 128.549 -14.6512 -77.7728 133.882 129.017 179.336 97.1492 PRESSAVG: 2419800 7.43981 21.7897 -8.45615 21.7897 -21.3807 20.3953 -8.45616 20.3953 -4.52557 GPRESSAVG: 2419800 7.32737 21.6079 -7.14886 21.2206 -21.6137 19.185 -7.802 21.4408 -4.47961 TIMING: 2419800 CPU: 7012.72, 0.00288265/step Wall: 7012.72, 0.00288265/step, 2.06606 hours remaining, 209.855469 MB of memory in use. ENERGY: 2419800 749.8494 2064.8926 1960.0125 106.3926 -206461.2207 17950.6028 0.0000 0.0000 34320.1947 -149309.2761 299.7268 -183629.4708 -149204.8771 298.6014 -22.8856 7.0111 556173.2088 -6.1555 -6.2553 PRESSURE: 2420000 -222.926 -125.472 32.2255 -125.471 119.834 42.642 32.2251 42.6409 92.1621 GPRESSURE: 2420000 -142.448 -89.7498 -7.12839 -203.868 142.839 86.3829 53.5763 134.424 89.4117 PRESSAVG: 2420000 -57.6729 -68.6678 54.3577 -68.6678 38.4404 -10.9485 54.3576 -10.9485 24.1788 GPRESSAVG: 2420000 -57.6697 -70.6706 54.0626 -66.6848 38.8728 -10.5889 54.587 -9.65625 23.4133 TIMING: 2420000 CPU: 7013.3, 0.00290176/step Wall: 7013.3, 0.00290176/step, 2.07959 hours remaining, 209.855469 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: 2420000 748.1284 2097.0771 1937.8009 114.4627 -206181.2832 17862.9736 0.0000 0.0000 34215.2003 -149205.6403 298.8099 -183420.8406 -149113.3574 298.8342 -3.6433 29.9342 557063.9176 1.6488 1.5388 PRESSURE: 2420200 383.846 43.109 136.479 43.1082 258.019 87.8016 136.479 87.8024 25.7158 GPRESSURE: 2420200 361.441 117.047 195.51 -71.6437 308.651 17.9209 93.2567 27.0343 100.652 PRESSAVG: 2420200 -11.0103 -62.6866 76.8169 -62.6867 2.21703 4.28766 76.8168 4.28763 5.21873 GPRESSAVG: 2420200 -11.9549 -60.7357 79.8117 -64.4577 2.32762 7.44694 74.2339 1.79579 5.64132 TIMING: 2420200 CPU: 7013.88, 0.00289924/step Wall: 7013.88, 0.00289924/step, 2.07763 hours remaining, 209.855469 MB of memory in use. ENERGY: 2420200 708.7027 2081.2932 1962.7188 107.5319 -206800.6803 18311.7893 0.0000 0.0000 34277.4013 -149351.2431 299.3531 -183628.6444 -149255.6316 298.9575 222.5269 256.9143 557540.6727 -1.1915 -1.3287 LDB: ============= START OF LOAD BALANCING ============== 7017.27 LDB: ============== END OF LOAD BALANCING =============== 7017.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7017.27 LDB: ============= START OF LOAD BALANCING ============== 7017.56 LDB: Largest compute 4820 load 0.025655 is 21.8% of average load 0.117909 LDB: Average compute 0.001755 is 1.5% of average load 0.117909 LDB: TIME 7017.56 LOAD: AVG 0.117909 MAX 0.179944 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.035 MB LDB: TIME 7017.57 LOAD: AVG 0.117909 MAX 0.179944 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.238 MB LDB: TIME 7017.57 LOAD: AVG 0.117909 MAX 0.179944 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7017.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7017.57 PRESSURE: 2420400 -270.979 -82.0122 39.2883 -82.0121 -371.985 107.309 39.2879 107.311 -27.2259 GPRESSURE: 2420400 -173.888 -97.1436 129.222 -127.572 -342.32 159.839 40.2729 69.4478 -43.813 PRESSAVG: 2420400 2.42342 -49.0296 37.236 -49.0296 -47.8035 34.8525 37.236 34.8524 51.7674 GPRESSAVG: 2420400 2.89701 -48.1798 34.2373 -47.8481 -47.4933 32.9384 40.257 36.1774 51.3041 TIMING: 2420400 CPU: 7014.48, 0.0029709/step Wall: 7014.48, 0.0029709/step, 2.12881 hours remaining, 208.519531 MB of memory in use. ENERGY: 2420400 756.8049 2062.1784 1956.4538 103.0093 -205806.1935 17401.8105 0.0000 0.0000 34373.9692 -149151.9674 300.1964 -183525.9366 -149058.1552 298.4736 -223.3966 -186.6735 559150.2888 2.1291 2.2360 PRESSURE: 2420600 155.469 65.895 131.447 65.8971 115.89 27.1897 131.447 27.1901 149.413 GPRESSURE: 2420600 164.96 107.126 113.328 -17.0182 127.654 12.3264 151.415 122.493 229.844 PRESSAVG: 2420600 -0.0730836 23.237 38.0376 23.2371 2.18848 34.3425 38.0376 34.3427 -34.1902 GPRESSAVG: 2420600 0.108587 22.357 40.135 23.74 2.07534 35.0456 35.716 34.6345 -33.9093 TIMING: 2420600 CPU: 7015.06, 0.00292056/step Wall: 7015.06, 0.00292056/step, 2.09258 hours remaining, 208.519531 MB of memory in use. ENERGY: 2420600 786.0658 2115.1596 1966.4288 110.6841 -206528.2728 17944.4763 0.0000 0.0000 34495.5384 -149109.9199 301.2581 -183605.4582 -149011.4409 300.4147 140.2576 174.1526 556427.4465 -10.6916 -10.5751 PRESSURE: 2420800 158.221 102.687 172.024 102.686 -335.778 141.506 172.024 141.504 73.8885 GPRESSURE: 2420800 183.59 117.393 244.951 47.925 -311.122 115.084 159.252 193.159 113.336 PRESSAVG: 2420800 5.89319 8.61041 62.893 8.61031 -17.0289 -34.4842 62.893 -34.4843 22.7977 GPRESSAVG: 2420800 5.92038 9.90198 60.6398 7.60339 -17.4203 -34.7383 63.1817 -35.3138 23.6241 TIMING: 2420800 CPU: 7015.64, 0.00291608/step Wall: 7015.64, 0.00291608/step, 2.08921 hours remaining, 208.519531 MB of memory in use. ENERGY: 2420800 756.7111 1969.8068 1975.8261 125.8937 -206127.1165 17719.6888 0.0000 0.0000 34514.7749 -149064.4152 301.4261 -183579.1901 -148971.2285 299.9807 -34.5564 -4.7321 556616.9336 3.8874 4.0414 PRESSURE: 2421000 -132.563 -87.9336 -126.994 -87.933 31.5817 161.918 -126.994 161.921 -246.784 GPRESSURE: 2421000 -135.798 9.46967 -110.495 -79.416 63.2605 146.113 -155.065 130.731 -176.645 PRESSAVG: 2421000 15.9285 -17.0058 30.8648 -17.0058 58.6374 10.0956 30.8649 10.0955 -58.8481 GPRESSAVG: 2421000 15.8739 -19.9629 31.1202 -16.9867 60.2887 12.0814 31.5759 9.69941 -60.1804 TIMING: 2421000 CPU: 7016.22, 0.00290517/step Wall: 7016.22, 0.00290517/step, 2.08123 hours remaining, 208.519531 MB of memory in use. ENERGY: 2421000 765.2218 2082.9715 1964.5503 112.2273 -205996.2547 17695.0165 0.0000 0.0000 34300.2908 -149075.9766 299.5530 -183376.2673 -148984.1711 299.2532 -115.9218 -83.0608 557897.6317 5.2393 5.3274 PRESSURE: 2421200 263.284 7.54884 -37.846 7.547 -155.637 172.927 -37.8466 172.928 -201.223 GPRESSURE: 2421200 237.585 -32.772 -25.7489 42.6134 -122.766 110.217 -28.8812 116.33 -127.845 PRESSAVG: 2421200 78.8446 -114.677 6.1636 -114.677 -15.8042 1.72009 6.1637 1.72018 -47.6384 GPRESSAVG: 2421200 79.647 -113.691 6.8001 -115.076 -17.4186 2.24686 6.33822 0.79068 -46.9373 TIMING: 2421200 CPU: 7016.8, 0.0029011/step Wall: 7016.8, 0.0029011/step, 2.07816 hours remaining, 208.718750 MB of memory in use. ENERGY: 2421200 738.1761 2129.2472 1970.6556 110.0907 -205901.7747 17590.9471 0.0000 0.0000 34402.0649 -148960.5930 300.4418 -183362.6579 -148863.3220 299.7615 -31.1920 -4.3418 557253.5944 5.1340 5.0970 PRESSURE: 2421400 267.977 10.4394 15.3733 10.4388 -253.78 40.0686 15.373 40.0684 -245.871 GPRESSURE: 2421400 274.711 11.4156 -4.05328 74.415 -202.26 19.1207 19.5755 57.4092 -213.931 PRESSAVG: 2421400 19.2466 14.2057 -43.2478 14.2056 29.003 -7.04471 -43.2479 -7.04472 -22.1098 GPRESSAVG: 2421400 18.6668 14.333 -44.7543 16.2723 30.2983 -11.2302 -43.2428 -4.12473 -23.107 TIMING: 2421400 CPU: 7017.38, 0.00287453/step Wall: 7017.38, 0.00287453/step, 2.05896 hours remaining, 208.718750 MB of memory in use. ENERGY: 2421400 740.2574 2088.5106 1943.7333 118.3686 -205854.2765 17567.5786 0.0000 0.0000 34400.5579 -148995.2701 300.4286 -183395.8280 -148898.4203 299.8239 -77.2246 -47.1600 557844.5112 8.7133 8.6194 PRESSURE: 2421600 -122.615 0.0919974 -202.215 0.0920424 -148.468 94.1135 -202.216 94.1124 -192.881 GPRESSURE: 2421600 -123.85 -43.9023 -159.697 -18.7721 -151.082 -16.3442 -237.716 109.458 -106.549 PRESSAVG: 2421600 16.1193 -32.203 -27.6607 -32.2031 48.9408 44.4243 -27.6608 44.4242 -32.0999 GPRESSAVG: 2421600 17.1169 -31.2668 -27.7453 -33.3907 47.5993 44.4135 -26.7933 44.0224 -31.8054 TIMING: 2421600 CPU: 7017.96, 0.0028956/step Wall: 7017.96, 0.0028956/step, 2.07389 hours remaining, 208.921875 MB of memory in use. ENERGY: 2421600 759.4461 2057.1371 1943.3339 126.4345 -205796.8943 17602.5197 0.0000 0.0000 34273.0392 -149034.9839 299.3150 -183308.0231 -148944.2063 300.1359 -154.6547 -127.1601 558803.2301 10.9867 10.9703 PRESSURE: 2421800 -176.461 105.129 14.7509 105.129 -187.412 -19.9294 14.7515 -19.9278 -314.557 GPRESSURE: 2421800 -154.801 74.7438 62.1637 50.4986 -124.771 23.355 -17.4276 -40.5857 -303.121 PRESSAVG: 2421800 -13.6879 -8.81323 -14.1668 -8.81314 35.7165 -6.86304 -14.1668 -6.86285 -7.46031 GPRESSAVG: 2421800 -14.4756 -9.93964 -12.3669 -9.44401 36.137 -6.02935 -15.4492 -7.92357 -6.83545 TIMING: 2421800 CPU: 7018.54, 0.00289227/step Wall: 7018.54, 0.00289227/step, 2.07135 hours remaining, 208.921875 MB of memory in use. ENERGY: 2421800 730.9276 2070.7594 1964.0393 112.9463 -205817.9566 17543.2669 0.0000 0.0000 34125.0843 -149270.9328 298.0228 -183396.0171 -149176.9296 300.2197 -226.1432 -194.2308 558261.7016 4.8561 4.9420 PRESSURE: 2422000 131.684 94.4657 78.8593 94.4656 -27.3317 36.8902 78.8598 36.8915 24.6094 GPRESSURE: 2422000 94.4814 102.409 160.315 77.8122 4.47305 -39.109 3.21345 93.2836 142.478 PRESSAVG: 2422000 14.1183 10.1031 27.4234 10.103 -14.8798 -6.03084 27.4233 -6.03094 -23.315 GPRESSAVG: 2422000 13.6821 10.2067 26.983 8.48127 -15.1061 -5.88698 29.4178 -4.5392 -22.9098 TIMING: 2422000 CPU: 7019.11, 0.00288603/step Wall: 7019.11, 0.00288603/step, 2.06672 hours remaining, 208.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2422000 749.0173 2062.7239 1970.7245 115.7427 -206325.3500 17908.7476 0.0000 0.0000 34159.8588 -149358.5353 298.3265 -183518.3941 -149253.3054 298.8242 42.9872 80.4775 556735.1458 -8.0255 -8.1113 PRESSURE: 2422200 -50.7783 -77.723 113.211 -77.7243 -7.93757 -61.9271 113.212 -61.9297 98.0941 GPRESSURE: 2422200 -7.37526 -119.34 80.1564 -83.5065 32.0391 -11.3876 14.213 -122.799 102.615 PRESSAVG: 2422200 28.5305 45.6164 52.7894 45.6163 7.43456 -30.9408 52.7893 -30.9408 -39.8766 GPRESSAVG: 2422200 29.2693 45.8151 53.211 47.003 7.05099 -30.1944 51.2361 -33.2027 -39.9425 TIMING: 2422200 CPU: 7019.69, 0.00286781/step Wall: 7019.69, 0.00286781/step, 2.05351 hours remaining, 208.921875 MB of memory in use. ENERGY: 2422200 768.2735 2095.1916 1953.9318 102.8026 -206126.8191 17619.9702 0.0000 0.0000 34223.1302 -149363.5190 298.8791 -183586.6492 -149268.7598 298.6355 13.1261 42.4262 555152.2566 -1.3038 -1.2074 PRESSURE: 2422400 -18.3477 258.092 -79.0256 258.092 201.986 62.2178 -79.0244 62.2187 8.87332 GPRESSURE: 2422400 -1.40367 232.063 -89.5577 274.984 249.814 84.3671 -110.525 62.965 31.8107 PRESSAVG: 2422400 -38.0624 40.3351 54.434 40.3351 40.0212 -9.7162 54.434 -9.71622 35.4287 GPRESSAVG: 2422400 -37.5853 40.8779 54.3131 41.8908 40.1766 -11.513 54.3726 -6.60717 34.8866 TIMING: 2422400 CPU: 7020.26, 0.00285801/step Wall: 7020.26, 0.00285801/step, 2.04634 hours remaining, 208.921875 MB of memory in use. ENERGY: 2422400 759.7099 2120.2988 1977.2776 125.8294 -206617.2772 18045.7470 0.0000 0.0000 34124.7826 -149463.6318 298.0202 -183588.4144 -149368.0656 298.6823 64.1707 93.4072 557060.1929 12.4625 12.4926 PRESSURE: 2422600 42.0927 128.079 11.8101 128.078 40.2527 -158.959 11.8115 -158.957 -171.576 GPRESSURE: 2422600 97.2839 94.0019 -52.9263 167.584 53.8942 -136.632 47.146 -179.282 -136.018 PRESSAVG: 2422600 26.1007 -34.6199 -34.1245 -34.6199 -7.30154 -2.99248 -34.1245 -2.99248 -6.99508 GPRESSAVG: 2422600 25.5735 -34.3265 -34.2813 -35.6897 -7.31718 -4.43142 -32.4028 -3.453 -6.86295 TIMING: 2422600 CPU: 7020.83, 0.00286545/step Wall: 7020.83, 0.00286545/step, 2.0515 hours remaining, 208.921875 MB of memory in use. ENERGY: 2422600 750.6432 2048.7312 1945.8376 115.8333 -206313.5936 17912.5953 0.0000 0.0000 34149.6278 -149390.3253 298.2372 -183539.9531 -149290.8052 299.0005 -29.7437 5.0533 557039.4717 3.9347 3.7978 PRESSURE: 2422800 -144.954 74.271 0.690107 74.2724 -363.971 -91.0476 0.689426 -91.0487 -6.3696 GPRESSURE: 2422800 -116.195 -24.7553 -32.2857 114.776 -279.158 -127.586 -61.5614 -41.1734 -27.8405 PRESSAVG: 2422800 -1.18908 1.80986 -10.6844 1.80979 -47.3363 -39.2889 -10.6845 -39.2888 0.654865 GPRESSAVG: 2422800 -0.516309 0.101294 -9.7959 1.19 -47.0562 -38.8056 -11.8251 -38.9503 -0.675586 TIMING: 2422800 CPU: 7021.41, 0.00287543/step Wall: 7021.41, 0.00287543/step, 2.05849 hours remaining, 208.921875 MB of memory in use. ENERGY: 2422800 719.2128 2071.5538 1980.0105 104.9378 -205978.5177 17468.7413 0.0000 0.0000 34175.4030 -149458.6585 298.4623 -183634.0615 -149357.8487 298.4278 -171.7648 -141.0647 556459.2439 -15.9568 -16.0827 PRESSURE: 2423000 -75.7334 -4.08606 11.2442 -4.08672 -56.9588 -4.76801 11.2437 -4.76679 50.8178 GPRESSURE: 2423000 1.98388 39.032 -29.5015 61.8051 11.0725 -8.63214 -7.61582 -54.9289 7.08702 PRESSAVG: 2423000 -13.5015 1.34795 -34.8367 1.34788 12.3101 -30.1058 -34.8367 -30.1058 -4.32842 GPRESSAVG: 2423000 -13.645 1.75743 -33.1826 1.89108 12.8241 -28.0856 -36.9546 -31.0021 -4.64054 TIMING: 2423000 CPU: 7021.98, 0.00287892/step Wall: 7021.98, 0.00287892/step, 2.06083 hours remaining, 208.921875 MB of memory in use. ENERGY: 2423000 771.9243 2068.0135 1934.1999 114.4591 -206155.7516 17698.0291 0.0000 0.0000 34121.7043 -149447.4214 297.9933 -183569.1257 -149347.5732 298.8934 -27.2915 6.7145 555808.8486 -1.8399 -1.8205 PRESSURE: 2423200 58.6856 -17.0466 -142.075 -17.0454 -237.565 -103.491 -142.075 -103.492 -26.4229 GPRESSURE: 2423200 77.7323 -3.41587 -13.6582 27.098 -228.72 -146.832 -129.755 -85.713 65.513 PRESSAVG: 2423200 33.2675 7.14546 -14.957 7.14545 -82.471 -27.1741 -14.9569 -27.1742 30.2903 GPRESSAVG: 2423200 32.774 8.90487 -15.9002 6.08642 -83.2778 -28.8681 -13.0152 -26.0755 31.2537 TIMING: 2423200 CPU: 7022.56, 0.00287212/step Wall: 7022.56, 0.00287213/step, 2.0558 hours remaining, 208.921875 MB of memory in use. ENERGY: 2423200 726.0122 2047.6776 1968.2429 100.6914 -205860.8536 17565.3074 0.0000 0.0000 34078.6119 -149374.3102 297.6170 -183452.9221 -149269.8464 298.7543 -68.4342 -28.4916 556345.1471 -6.3044 -6.4167 PRESSURE: 2423400 143.293 40.3969 6.0847 40.3967 238.556 -47.1614 6.08375 -47.1613 -36.7299 GPRESSURE: 2423400 252.703 78.8375 85.6345 -9.85468 194.858 -71.8193 -57.2375 -8.8145 -15.6728 PRESSAVG: 2423400 73.3244 -71.6082 -18.8034 -71.6083 -67.6699 -29.8214 -18.8034 -29.8214 16.3549 GPRESSAVG: 2423400 73.9428 -72.3593 -20.2825 -70.9956 -68.4146 -28.14 -16.7882 -32.8314 16.1759 TIMING: 2423400 CPU: 7023.14, 0.00289673/step Wall: 7023.14, 0.00289673/step, 2.07326 hours remaining, 208.921875 MB of memory in use. ENERGY: 2423400 725.5331 2047.6817 1992.4455 100.9598 -206615.8267 18067.0816 0.0000 0.0000 34449.7911 -149232.3338 300.8586 -183682.1249 -149136.3221 299.0793 115.0394 143.9628 556274.3185 7.3365 7.2347 PRESSURE: 2423600 -49.6767 74.4976 26.5594 74.4978 -145.392 -0.825503 26.5591 -0.825529 -11.4064 GPRESSURE: 2423600 -48.766 30.7065 31.2702 36.6021 -145.432 -14.7593 29.884 -63.4042 91.5441 PRESSAVG: 2423600 52.5117 -24.2229 -11.7375 -24.2229 -98.6213 -37.4565 -11.7375 -37.4565 35.8473 GPRESSAVG: 2423600 51.6936 -27.6743 -12.906 -24.5303 -97.2754 -37.5111 -13.4237 -37.9572 35.591 TIMING: 2423600 CPU: 7023.72, 0.00289442/step Wall: 7023.72, 0.00289442/step, 2.07144 hours remaining, 208.921875 MB of memory in use. ENERGY: 2423600 720.6639 2066.9539 1969.4062 117.5515 -206068.5854 17778.9326 0.0000 0.0000 34126.4047 -149288.6725 298.0344 -183415.0773 -149191.9358 299.3885 -68.8252 -34.2179 558247.8918 -3.4208 -3.3303 PRESSURE: 2423800 -125.751 -54.0449 -87.1791 -54.0446 -47.2811 -67.0026 -87.1776 -67.0046 -41.8955 GPRESSURE: 2423800 -93.0178 -42.6636 -108.235 -118.534 -8.37865 -59.3674 -33.3068 46.1973 -14.8383 PRESSAVG: 2423800 10.579 -21.8362 -1.91989 -21.8361 -32.609 44.2297 -1.91996 44.2297 8.25079 GPRESSAVG: 2423800 10.6207 -19.0766 1.15594 -20.0004 -32.6646 41.1621 -3.24621 46.0015 8.17007 TIMING: 2423800 CPU: 7024.29, 0.00288477/step Wall: 7024.29, 0.00288477/step, 2.06438 hours remaining, 208.921875 MB of memory in use. ENERGY: 2423800 758.5927 2002.9345 1957.6777 102.5597 -206282.7435 17846.4542 0.0000 0.0000 34466.3157 -149148.2089 301.0029 -183614.5247 -149051.8792 298.8591 -71.6424 -38.7449 558642.0023 -4.5931 -4.6246 PRESSURE: 2424000 74.5833 156.541 -144.427 156.541 -145.844 85.9204 -144.427 85.9218 -18.5859 GPRESSURE: 2424000 105.152 122.625 -105.639 193.07 -149.169 66.6019 -108.739 53.6369 54.3336 PRESSAVG: 2424000 0.310483 25.6287 5.21484 25.6288 -16.0927 -2.21786 5.21484 -2.21792 -28.0342 GPRESSAVG: 2424000 0.902401 25.7706 3.98113 22.3223 -17.0838 -2.3409 6.85457 -3.6971 -27.6826 TIMING: 2424000 CPU: 7024.87, 0.00287675/step Wall: 7024.87, 0.00287675/step, 2.05848 hours remaining, 208.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2424000 749.8171 2108.4827 1942.4867 128.1663 -205841.0434 17789.5415 0.0000 0.0000 34087.8204 -149034.7287 297.6974 -183122.5491 -148939.8256 299.9663 -29.9489 3.4388 559410.2204 -14.6055 -14.6213 PRESSURE: 2424200 104.264 172.891 -80.494 172.891 -159.802 -3.59794 -80.4935 -3.5976 83.0105 GPRESSURE: 2424200 149.459 170.57 -57.1507 120.921 -140.901 -12.1292 -31.2882 91.3327 108.65 PRESSAVG: 2424200 8.34146 43.0247 -10.4822 43.0247 -22.3355 41.7844 -10.4822 41.7844 34.6074 GPRESSAVG: 2424200 8.03051 43.1974 -11.6472 44.7444 -21.5131 40.7423 -9.65255 43.7899 34.6033 TIMING: 2424200 CPU: 7025.44, 0.00288227/step Wall: 7025.44, 0.00288227/step, 2.06227 hours remaining, 208.921875 MB of memory in use. ENERGY: 2424200 746.3091 2089.0209 1942.0746 108.5668 -205757.5492 17691.3821 0.0000 0.0000 34303.5564 -148876.6392 299.5815 -183180.1956 -148788.9282 300.0338 9.1575 39.0691 558249.6436 6.8711 7.0403 LDB: ============= START OF LOAD BALANCING ============== 7028.83 LDB: ============== END OF LOAD BALANCING =============== 7028.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7028.83 LDB: ============= START OF LOAD BALANCING ============== 7029.12 LDB: Largest compute 4820 load 0.024630 is 20.9% of average load 0.117978 LDB: Average compute 0.001754 is 1.5% of average load 0.117978 LDB: TIME 7029.12 LOAD: AVG 0.117978 MAX 0.179753 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.008 MB LDB: TIME 7029.12 LOAD: AVG 0.117978 MAX 0.179753 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: TIME 7029.12 LOAD: AVG 0.117978 MAX 0.179753 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: ============== END OF LOAD BALANCING =============== 7029.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7029.13 PRESSURE: 2424400 -195.012 -43.3479 128.623 -43.3488 84.1694 92.4371 128.621 92.4365 86.174 GPRESSURE: 2424400 -139.78 -107.554 125.3 19.2547 98.1112 20.5012 80.0399 41.4182 98.5791 PRESSAVG: 2424400 1.96911 41.5839 25.5544 41.5839 -14.4727 13.0242 25.5542 13.0242 19.8594 GPRESSAVG: 2424400 2.63422 40.5278 27.4987 43.3798 -15.1084 12.952 23.4542 11.9985 19.5461 TIMING: 2424400 CPU: 7026.03, 0.00293215/step Wall: 7026.03, 0.00293215/step, 2.09779 hours remaining, 209.808594 MB of memory in use. ENERGY: 2424400 744.2720 2079.7395 1966.9492 114.7350 -205743.1926 17619.9586 0.0000 0.0000 34322.2652 -148895.2731 299.7449 -183217.5383 -148809.5947 299.6743 -8.2229 18.9703 557925.4825 2.4519 2.3573 PRESSURE: 2424600 -121.967 73.1122 -8.3072 73.113 16.7115 -20.4255 -8.30754 -20.4258 53.7514 GPRESSURE: 2424600 -93.6584 34.6143 -138.506 24.8325 52.131 46.1533 69.4182 69.0447 99.6886 PRESSAVG: 2424600 -69.6191 -17.7375 -65.4404 -17.7374 10.697 -41.7879 -65.4406 -41.7879 39.5239 GPRESSAVG: 2424600 -68.7805 -17.0386 -67.9669 -19.6601 10.1839 -39.0779 -62.9587 -41.5433 39.1186 TIMING: 2424600 CPU: 7026.6, 0.00286248/step Wall: 7026.6, 0.00286248/step, 2.04778 hours remaining, 210.011719 MB of memory in use. ENERGY: 2424600 729.0983 2005.7859 1945.7770 120.8438 -205998.4092 17834.4880 0.0000 0.0000 34276.7965 -149085.6195 299.3478 -183362.4161 -148993.5096 299.3227 -17.1681 19.3871 558458.1552 -6.4661 -6.4926 PRESSURE: 2424800 64.3857 -86.767 -13.997 -86.768 11.3544 27.0023 -13.9959 27.0014 170.313 GPRESSURE: 2424800 157.026 -8.4166 -16.4195 -179.729 -12.4192 14.7701 -54.4588 52.5344 189.295 PRESSAVG: 2424800 28.0292 -36.1846 38.9699 -36.1846 -4.51984 38.6796 38.9699 38.6795 -21.8175 GPRESSAVG: 2424800 26.6603 -36.1919 39.7084 -34.4235 -3.65002 39.4782 37.2132 36.0992 -21.655 TIMING: 2424800 CPU: 7027.18, 0.00287081/step Wall: 7027.18, 0.00287081/step, 2.05359 hours remaining, 210.011719 MB of memory in use. ENERGY: 2424800 750.8428 2130.7072 1984.7611 117.2352 -206255.2380 17982.0023 0.0000 0.0000 34177.4616 -149112.2279 298.4803 -183289.6895 -149014.1264 299.2152 82.0178 111.3007 560003.1182 0.5640 0.4518 PRESSURE: 2425000 93.7839 14.1093 91.9865 14.1071 -70.8804 -133.467 91.9857 -133.466 142.563 GPRESSURE: 2425000 113.941 -0.465666 74.8277 -54.0997 -32.742 -41.051 74.9711 -93.9069 188.756 PRESSAVG: 2425000 29.7936 10.2981 43.5496 10.298 -18.313 37.8296 43.5495 37.8296 45.7148 GPRESSAVG: 2425000 29.1805 10.2691 45.1079 8.86846 -18.3202 37.4826 43.0616 38.7996 46.6391 TIMING: 2425000 CPU: 7027.75, 0.00288112/step Wall: 7027.75, 0.00288112/step, 2.0608 hours remaining, 210.011719 MB of memory in use. ENERGY: 2425000 721.0013 2069.4519 1968.3934 108.0126 -206088.8918 17907.1449 0.0000 0.0000 34203.8094 -149111.0784 298.7104 -183314.8878 -149013.3120 299.9281 55.1556 89.9853 557009.2619 19.0651 19.1665 PRESSURE: 2425200 17.2104 -69.6482 47.2456 -69.6478 -164.514 -79.83 47.2457 -79.8296 -165.587 GPRESSURE: 2425200 39.4249 -86.0795 23.3061 -117.96 -101.539 -46.0421 83.3974 -124.198 -154.695 PRESSAVG: 2425200 -74.9587 11.1282 -25.0406 11.1282 46.3984 -9.79212 -25.0406 -9.79202 34.0897 GPRESSAVG: 2425200 -74.8179 12.1427 -26.0776 9.63519 46.7878 -10.6691 -25.0194 -8.99596 33.4824 TIMING: 2425200 CPU: 7028.33, 0.00285767/step Wall: 7028.33, 0.00285767/step, 2.04387 hours remaining, 210.011719 MB of memory in use. ENERGY: 2425200 716.5423 2084.7156 1956.7654 113.7745 -205759.9237 17582.7185 0.0000 0.0000 34181.0436 -149124.3637 298.5116 -183305.4073 -149017.8312 299.8175 -104.2968 -72.2697 558748.2976 1.8431 1.8174 PRESSURE: 2425400 -62.8124 41.3986 -162.443 41.3979 -143.261 -51.9081 -162.443 -51.9081 -103.94 GPRESSURE: 2425400 -29.9038 -11.0074 -113.54 27.1893 -94.7816 -54.2114 -85.0937 141.871 -90.06 PRESSAVG: 2425400 -63.1571 -12.9073 -52.2789 -12.9072 32.9317 19.3309 -52.2789 19.3309 46.6004 GPRESSAVG: 2425400 -62.79 -13.4057 -51.9432 -12.6767 32.732 17.723 -51.0439 21.5247 46.8505 TIMING: 2425400 CPU: 7028.9, 0.00285968/step Wall: 7028.9, 0.00285968/step, 2.04515 hours remaining, 210.011719 MB of memory in use. ENERGY: 2425400 733.6948 2079.5781 1967.2407 102.8412 -206055.6358 17710.0472 0.0000 0.0000 34299.5881 -149162.6457 299.5468 -183462.2338 -149067.1977 299.5757 -103.3379 -71.5818 559642.7793 5.4583 5.5975 PRESSURE: 2425600 183.653 128.663 53.1314 128.662 16.9125 -73.4081 53.132 -73.4087 -28.2717 GPRESSURE: 2425600 224.993 72.12 57.476 176.171 50.8526 -27.4405 81.1583 -85.1657 -2.45432 PRESSAVG: 2425600 -62.9259 -31.981 12.4663 -31.981 -23.2434 -34.1049 12.4662 -34.1049 53.9935 GPRESSAVG: 2425600 -62.9184 -33.5631 11.3554 -31.3982 -23.9275 -31.3888 11.9554 -36.2201 54.6671 TIMING: 2425600 CPU: 7029.47, 0.00285859/step Wall: 7029.47, 0.00285859/step, 2.04421 hours remaining, 210.011719 MB of memory in use. ENERGY: 2425600 763.0461 2122.8559 1952.9239 116.8997 -206511.4777 17989.5467 0.0000 0.0000 34359.7620 -149206.4435 300.0723 -183566.2055 -149116.8493 299.7194 57.4313 91.1303 558165.1870 -10.7253 -10.7263 PRESSURE: 2425800 172.357 -80.6888 -91.6777 -80.6884 142.69 -85.1402 -91.6751 -85.1395 -155.595 GPRESSURE: 2425800 223.166 28.2276 -118.113 -73.3346 123.951 -101.903 -42.0038 -127.79 -94.2546 PRESSAVG: 2425800 -52.2138 57.6443 -19.5952 57.6442 -23.328 -44.3291 -19.5953 -44.3292 19.0579 GPRESSAVG: 2425800 -51.7387 57.7506 -19.4174 58.618 -23.7723 -44.4663 -22.0876 -44.2732 18.9903 TIMING: 2425800 CPU: 7030.05, 0.00289568/step Wall: 7030.05, 0.00289568/step, 2.07057 hours remaining, 210.011719 MB of memory in use. ENERGY: 2425800 758.4900 2082.7975 1946.1458 108.7496 -206442.6699 18155.4036 0.0000 0.0000 33973.4711 -149417.6123 296.6988 -183391.0834 -149323.0558 299.3108 53.1507 84.2872 559335.8510 -18.8279 -18.8402 PRESSURE: 2426000 -96.749 43.3245 52.212 43.3233 -40.7091 52.78 52.2114 52.7794 -153.28 GPRESSURE: 2426000 -76.833 -6.76483 56.3692 128.548 39.1394 118.316 -4.2471 4.38814 -160.221 PRESSAVG: 2426000 8.70735 48.1496 10.4693 48.1496 59.9833 40.8176 10.4694 40.8177 -2.62451 GPRESSAVG: 2426000 8.51113 48.1184 8.64952 48.5251 60.3328 41.5025 14.6023 41.178 -2.2913 TIMING: 2426000 CPU: 7030.63, 0.00289623/step Wall: 7030.63, 0.00289623/step, 2.0708 hours remaining, 210.011719 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: 2426000 765.6716 2024.7976 1952.8191 107.9063 -206485.9516 17821.2513 0.0000 0.0000 34380.5697 -149432.9359 300.2541 -183813.5057 -149333.5115 298.8594 -96.9127 -65.9715 557802.7232 22.0220 22.1842 PRESSURE: 2426200 183.064 -1.6975 42.3015 -1.69687 21.7178 40.7277 42.3005 40.7268 120.751 GPRESSURE: 2426200 256.613 -29.4731 13.5179 -105.571 46.438 -3.56875 5.22343 80.1378 128.933 PRESSAVG: 2426200 -9.94587 -4.9507 29.0072 -4.95071 17.9223 -40.6506 29.0073 -40.6507 -31.192 GPRESSAVG: 2426200 -10.2604 -3.05625 29.8732 -7.11977 17.7753 -42.6487 28.2153 -40.8406 -30.8128 TIMING: 2426200 CPU: 7031.2, 0.00288574/step Wall: 7031.2, 0.00288574/step, 2.06315 hours remaining, 210.011719 MB of memory in use. ENERGY: 2426200 744.2786 2116.3787 1940.6453 109.2744 -206697.5892 18048.8915 0.0000 0.0000 34406.5208 -149331.5998 300.4807 -183738.1207 -149241.5928 299.0771 108.5108 143.9949 556878.6739 -7.7385 -7.7659 PRESSURE: 2426400 139.678 -95.0888 54.9225 -95.0902 433.099 -128.539 54.922 -128.538 -152.778 GPRESSURE: 2426400 131.537 -39.7907 -9.5893 -146.105 462.346 -179.056 70.6619 -104.363 -73.891 PRESSAVG: 2426400 -22.7075 43.3105 -89.0865 43.3106 61.7779 -23.6545 -89.0864 -23.6545 1.29326 GPRESSAVG: 2426400 -23.0561 44.1139 -86.5537 43.8056 62.7361 -22.6535 -91.7064 -23.5356 -0.096944 TIMING: 2426400 CPU: 7031.78, 0.00289903/step Wall: 7031.78, 0.00289903/step, 2.07248 hours remaining, 210.011719 MB of memory in use. ENERGY: 2426400 755.8017 2046.3714 1949.9060 107.7555 -206542.9846 17905.2186 0.0000 0.0000 34276.6288 -149501.3026 299.3463 -183777.9314 -149407.9680 299.2209 139.9995 173.3307 556065.9790 13.4546 13.1944 PRESSURE: 2426600 84.8511 -89.2412 -9.95814 -89.2403 190.624 119.131 -9.95845 119.131 80.0787 GPRESSURE: 2426600 84.3884 -78.7247 92.4218 -73.385 219.308 166.505 -8.93861 75.3803 145.333 PRESSAVG: 2426600 -27.2879 12.9993 -2.85498 12.9993 47.2423 -31.0669 -2.85494 -31.0669 -36.2162 GPRESSAVG: 2426600 -27.108 10.6644 -3.10893 12.8194 46.1772 -31.3517 -1.78752 -31.9601 -35.7922 TIMING: 2426600 CPU: 7032.36, 0.00289917/step Wall: 7032.36, 0.00289917/step, 2.07243 hours remaining, 210.011719 MB of memory in use. ENERGY: 2426600 728.7882 2139.8228 1941.9561 117.3074 -206638.5638 18060.8922 0.0000 0.0000 34213.2922 -149436.5049 298.7932 -183649.7971 -149341.1877 298.4113 118.5180 149.6764 557131.7795 -5.4206 -5.5743 PRESSURE: 2426800 -31.8327 17.0758 21.5182 17.0766 -109.574 85.8438 21.5179 85.8449 -184.819 GPRESSURE: 2426800 -29.6035 3.28573 112.632 58.5052 -47.9371 45.0185 -117.421 106.396 -145.29 PRESSAVG: 2426800 -70.066 -53.9863 -2.18093 -53.9864 38.6519 24.4882 -2.18086 24.4882 28.0575 GPRESSAVG: 2426800 -69.9299 -52.7793 -3.40954 -52.8 38.7265 25.4107 -2.38223 25.6923 27.9622 TIMING: 2426800 CPU: 7032.94, 0.00288738/step Wall: 7032.94, 0.00288738/step, 2.06383 hours remaining, 210.011719 MB of memory in use. ENERGY: 2426800 751.7923 2075.4770 1948.4041 94.7153 -206377.0876 17782.4920 0.0000 0.0000 34300.6811 -149423.5257 299.5564 -183724.2068 -149334.7097 298.3291 -108.7419 -74.2769 556068.3720 -1.1189 -1.0804 PRESSURE: 2427000 -298.361 -170.827 66.8778 -170.826 7.37925 98.021 66.8774 98.0221 125.262 GPRESSURE: 2427000 -286.133 -183.402 180.304 -182.874 84.8473 79.5862 77.7105 216.023 138.339 PRESSAVG: 2427000 22.054 30.9855 1.10258 30.9855 15.0655 50.286 1.10259 50.2859 -17.5011 GPRESSAVG: 2427000 22.4585 32.0714 0.950665 29.9393 15.0708 49.5398 2.7426 49.5233 -17.501 TIMING: 2427000 CPU: 7033.52, 0.00288335/step Wall: 7033.52, 0.00288335/step, 2.06079 hours remaining, 210.011719 MB of memory in use. ENERGY: 2427000 750.8690 2068.7868 1948.6613 129.4068 -206608.9374 17965.8603 0.0000 0.0000 34376.0922 -149369.2612 300.2150 -183745.3534 -149279.2057 299.5342 -55.2400 -20.9823 555888.2591 6.5395 6.6761 PRESSURE: 2427200 88.836 139.323 73.3629 139.324 -41.679 -110.417 73.3618 -110.416 -181.811 GPRESSURE: 2427200 63.2282 187.916 -3.87927 106.649 -18.4001 -150.46 167.33 -66.9925 -94.9423 PRESSAVG: 2427200 42.1043 -18.6823 12.7754 -18.6824 -2.06362 7.09232 12.7753 7.09222 -19.0224 GPRESSAVG: 2427200 41.919 -18.2062 14.1273 -18.8404 -1.81021 8.98568 10.5245 7.70591 -19.4127 TIMING: 2427200 CPU: 7034.09, 0.00288169/step Wall: 7034.09, 0.00288169/step, 2.05945 hours remaining, 210.011719 MB of memory in use. ENERGY: 2427200 742.3966 2064.0292 1970.4208 109.9101 -206282.9485 17636.8193 0.0000 0.0000 34413.9362 -149345.4364 300.5455 -183759.3726 -149248.7876 299.5525 -44.8847 -16.7047 556021.0841 7.0061 6.8987 PRESSURE: 2427400 -23.5363 145.359 19.1089 145.36 94.5474 97.9159 19.1088 97.9154 -312.057 GPRESSURE: 2427400 35.0241 161.986 -25.0917 176.981 115.458 107.003 -22.2345 100.06 -297.376 PRESSAVG: 2427400 63.1914 44.7712 -16.4948 44.7712 75.235 -22.5792 -16.4948 -22.5793 -85.9124 GPRESSAVG: 2427400 64.4054 44.6888 -17.4879 46.2542 75.2866 -24.7278 -15.2509 -21.0677 -86.8532 TIMING: 2427400 CPU: 7034.67, 0.00289279/step Wall: 7034.67, 0.00289279/step, 2.06722 hours remaining, 210.011719 MB of memory in use. ENERGY: 2427400 722.2451 2081.4352 1959.8246 129.1862 -206125.4892 17536.1911 0.0000 0.0000 34400.3982 -149296.2089 300.4272 -183696.6071 -149206.3931 299.2006 -80.3488 -48.9647 556563.1633 17.5047 17.6130 PRESSURE: 2427600 -335.379 61.7895 54.5815 61.7899 -33.0127 86.6378 54.5812 86.6392 -95.7502 GPRESSURE: 2427600 -317.897 97.9712 10.0687 32.9646 26.6856 68.4026 51.2449 194.638 -73.842 PRESSAVG: 2427600 13.5595 0.99089 12.2468 0.990876 -4.09974 -2.42468 12.2469 -2.42469 -32.2071 GPRESSAVG: 2427600 13.7036 -0.971663 10.8682 -0.0707017 -4.2908 -1.15378 12.8821 -4.1989 -32.3417 TIMING: 2427600 CPU: 7035.25, 0.00286665/step Wall: 7035.25, 0.00286665/step, 2.04838 hours remaining, 210.011719 MB of memory in use. ENERGY: 2427600 747.2651 2075.1425 1954.6822 113.6103 -206426.0848 17808.2723 0.0000 0.0000 34333.6003 -149393.5121 299.8439 -183727.1124 -149301.0510 298.8059 -154.7140 -121.6845 557273.8131 -7.5824 -7.6430 PRESSURE: 2427800 -78.3918 -34.2436 -89.6832 -34.2422 -170.483 -19.17 -89.6826 -19.1704 -76.0518 GPRESSURE: 2427800 -3.71249 -73.3408 -128.092 -46.0306 -166.883 -27.1982 12.8898 -40.4991 -59.8748 PRESSAVG: 2427800 2.50433 -13.3786 -42.6427 -13.3787 64.4896 -27.0993 -42.6427 -27.0993 -46.272 GPRESSAVG: 2427800 1.23015 -15.3173 -39.7243 -12.2112 64.9734 -25.971 -42.7145 -27.083 -45.679 TIMING: 2427800 CPU: 7035.82, 0.00288274/step Wall: 7035.82, 0.00288275/step, 2.05972 hours remaining, 210.011719 MB of memory in use. ENERGY: 2427800 748.1404 2124.6339 1958.8645 109.5734 -206063.8582 17687.4783 0.0000 0.0000 34204.3398 -149230.8280 298.7150 -183435.1678 -149140.3826 299.0383 -108.3088 -76.8236 558085.7920 6.9073 6.8415 PRESSURE: 2428000 -157.564 -72.0926 -21.296 -72.0908 -6.37996 85.1064 -21.2958 85.1068 -371.395 GPRESSURE: 2428000 -127.631 -54.9738 -41.1241 -190.586 -32.8489 36.7727 -47.5853 22.6302 -272.053 PRESSAVG: 2428000 9.0404 25.9041 43.354 25.9041 5.66157 -24.1916 43.354 -24.1915 -1.79409 GPRESSAVG: 2428000 9.73032 27.6289 41.1399 23.6158 5.12713 -26.6517 42.5968 -24.6877 -2.21629 TIMING: 2428000 CPU: 7036.4, 0.00287411/step Wall: 7036.4, 0.00287411/step, 2.05339 hours remaining, 210.011719 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: 2428000 757.1319 2148.8660 1945.8601 97.9966 -205950.4813 17601.1778 0.0000 0.0000 34215.3032 -149184.1456 298.8108 -183399.4489 -149096.0207 297.8362 -178.4463 -144.1776 559639.8354 4.3026 4.2137 PRESSURE: 2428200 8.35887 80.4719 -22.5603 80.4708 -125.547 -53.4186 -22.5613 -53.4174 15.6361 GPRESSURE: 2428200 9.39358 40.0489 -106.533 44.2511 -100.513 -102.204 -1.2721 18.7963 98.8032 PRESSAVG: 2428200 42.1901 38.1334 8.55759 38.1334 18.5455 -38.6968 8.55755 -38.6967 -28.4025 GPRESSAVG: 2428200 40.1319 36.8696 8.85491 40.0603 19.1126 -39.0241 9.20552 -38.3216 -27.6795 TIMING: 2428200 CPU: 7036.98, 0.00289956/step Wall: 7036.98, 0.00289956/step, 2.07141 hours remaining, 210.011719 MB of memory in use. ENERGY: 2428200 722.4892 2109.8296 1929.0781 111.5931 -205857.5211 17617.4942 0.0000 0.0000 34219.8425 -149147.1944 298.8504 -183367.0369 -149058.4941 298.9548 -33.8506 2.5614 557894.7912 10.7777 10.5217 LDB: ============= START OF LOAD BALANCING ============== 7040.36 LDB: ============== END OF LOAD BALANCING =============== 7040.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7040.36 LDB: ============= START OF LOAD BALANCING ============== 7040.66 LDB: Largest compute 4820 load 0.024782 is 21.0% of average load 0.117981 LDB: Average compute 0.001749 is 1.5% of average load 0.117981 LDB: TIME 7040.66 LOAD: AVG 0.117981 MAX 0.180169 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.27 MB LDB: TIME 7040.66 LOAD: AVG 0.117981 MAX 0.180169 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: TIME 7040.66 LOAD: AVG 0.117981 MAX 0.180169 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7040.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7040.67 PRESSURE: 2428400 -151.788 73.3957 32.1734 73.3951 146.861 109.262 32.1746 109.261 -106.042 GPRESSURE: 2428400 -76.6434 73.8936 109.408 -0.119548 126.917 232.417 42.7779 55.4496 -53.8585 PRESSAVG: 2428400 51.3477 -6.86316 -32.6919 -6.86301 -11.8063 33.8105 -32.692 33.8104 -29.3679 GPRESSAVG: 2428400 52.2744 -8.56281 -30.671 -5.84215 -12.5361 36.8606 -32.6355 34.1907 -29.2977 TIMING: 2428400 CPU: 7037.57, 0.00296236/step Wall: 7037.57, 0.00296236/step, 2.11611 hours remaining, 208.656250 MB of memory in use. ENERGY: 2428400 747.4744 2085.2463 1951.7635 115.9856 -205932.6765 17716.0746 0.0000 0.0000 34048.7978 -149267.3343 297.3566 -183316.1321 -149175.4285 299.6708 -36.9898 -1.1949 557159.9020 3.3911 3.4802 PRESSURE: 2428600 -154.921 -47.0936 -55.5705 -47.0934 55.1294 38.2114 -55.5714 38.2109 2.09825 GPRESSURE: 2428600 -77.3749 -68.5156 -58.3769 -75.4697 62.4589 -51.8726 -74.9056 36.1308 7.24477 PRESSAVG: 2428600 -53.3797 9.41661 -12.3327 9.41661 53.8879 25.1654 -12.3327 25.1652 -16.3674 GPRESSAVG: 2428600 -54.8401 11.9587 -13.1027 7.18952 55.0892 23.6826 -13.8674 26.0819 -16.6639 TIMING: 2428600 CPU: 7038.15, 0.00290135/step Wall: 7038.15, 0.00290135/step, 2.07237 hours remaining, 208.656250 MB of memory in use. ENERGY: 2428600 731.4605 2112.3926 1974.0465 109.7053 -206123.3147 17730.4768 0.0000 0.0000 34217.3744 -149247.8586 298.8288 -183465.2330 -149154.3002 299.5928 -32.5643 -2.5571 557763.5473 -5.2864 -5.4716 PRESSURE: 2428800 -89.7103 -113.338 -39.3138 -113.337 -91.3926 52.6429 -39.3137 52.642 -144.934 GPRESSURE: 2428800 -76.3132 -114.282 12.1996 -80.5805 -49.0593 85.1178 -47.4084 120.643 -88.9889 PRESSAVG: 2428800 5.46009 -14.6742 -19.3627 -14.6742 -16.4004 33.1232 -19.3628 33.1233 24.8056 GPRESSAVG: 2428800 5.6622 -15.1999 -19.9719 -12.5569 -16.544 33.0383 -20.9273 31.8422 25.2488 TIMING: 2428800 CPU: 7038.73, 0.00287598/step Wall: 7038.73, 0.00287598/step, 2.05409 hours remaining, 208.656250 MB of memory in use. ENERGY: 2428800 760.9904 2101.9737 1947.0247 117.7324 -206165.6289 17691.4530 0.0000 0.0000 34351.4831 -149194.9715 300.0000 -183546.4546 -149094.9827 299.7129 -108.6789 -71.4538 557089.6997 4.6218 4.7890 PRESSURE: 2429000 -3.78585 -60.9483 -111.055 -60.9483 30.506 27.9595 -111.054 27.9605 90.534 GPRESSURE: 2429000 19.1762 -72.2465 -86.864 -36.6031 62.5874 56.8502 -86.7193 -54.1845 138.24 PRESSAVG: 2429000 -70.3616 -1.24115 -8.00842 -1.24103 35.0951 1.36299 -8.00838 1.36296 16.1037 GPRESSAVG: 2429000 -69.376 -0.177159 -8.49804 -1.93606 33.6334 0.51207 -6.09312 2.68973 16.8533 TIMING: 2429000 CPU: 7039.3, 0.00288434/step Wall: 7039.3, 0.00288434/step, 2.0599 hours remaining, 208.656250 MB of memory in use. ENERGY: 2429000 734.7243 2005.8498 1959.5456 104.6462 -206149.0198 17827.2553 0.0000 0.0000 34362.4785 -149154.5199 300.0961 -183516.9985 -149053.7958 299.2392 39.0847 73.3344 558425.7630 -6.3876 -6.2964 PRESSURE: 2429200 92.5009 -53.3481 116.266 -53.3467 73.9895 10.1014 116.266 10.1013 -82.9132 GPRESSURE: 2429200 136.416 -1.62193 87.2886 -140.189 115.698 91.1401 32.8284 -10.4769 -72.911 PRESSAVG: 2429200 -47.3432 -4.11227 51.42 -4.1122 10.5214 14.7772 51.42 14.7772 40.5022 GPRESSAVG: 2429200 -48.26 -2.89503 49.5406 -4.70985 12.9315 14.4487 51.4553 15.7434 39.3765 TIMING: 2429200 CPU: 7039.88, 0.00288835/step Wall: 7039.88, 0.00288835/step, 2.06261 hours remaining, 208.656250 MB of memory in use. ENERGY: 2429200 734.8622 2063.6710 1943.3783 111.1080 -206268.0429 17814.9845 0.0000 0.0000 34463.3071 -149136.7318 300.9766 -183600.0389 -149040.0956 300.0999 27.8591 59.7343 556735.3178 1.2268 1.3493 PRESSURE: 2429400 68.831 49.039 7.56313 49.0387 -349.089 -37.1534 7.56356 -37.1531 -131.979 GPRESSURE: 2429400 141.198 66.7125 -74.5138 75.7833 -323.196 -101.584 108.051 -29.766 -139.039 PRESSAVG: 2429400 33.9512 -12.4221 4.64303 -12.4221 -22.2698 1.67839 4.64289 1.67838 28.7167 GPRESSAVG: 2429400 35.1714 -12.8072 7.58112 -10.8642 -25.161 1.99983 3.62837 -0.53069 30.112 TIMING: 2429400 CPU: 7040.46, 0.00289688/step Wall: 7040.46, 0.00289688/step, 2.06853 hours remaining, 208.656250 MB of memory in use. ENERGY: 2429400 756.6802 2028.6600 1987.7653 120.0250 -205902.0750 17696.9346 0.0000 0.0000 34256.9742 -149055.0358 299.1747 -183312.0100 -148955.4447 299.8437 -137.4121 -107.0126 558418.4280 13.4660 13.3741 PRESSURE: 2429600 -14.0671 -3.78098 -69.9241 -3.78113 -267.595 53.135 -69.9245 53.1369 76.6819 GPRESSURE: 2429600 -33.403 -47.8975 -62.0093 12.8681 -181.651 147.95 -51.8718 -44.2714 107.541 PRESSAVG: 2429600 -26.4542 -12.4727 -5.18105 -12.4727 -22.8643 66.9966 -5.18106 66.9967 41.0472 GPRESSAVG: 2429600 -27.6962 -13.6804 -6.61458 -12.0322 -21.3987 67.401 -3.5544 67.1963 40.9604 TIMING: 2429600 CPU: 7041.04, 0.00287939/step Wall: 7041.04, 0.00287939/step, 2.05588 hours remaining, 208.656250 MB of memory in use. ENERGY: 2429600 773.9314 2019.6202 1933.0427 103.8498 -206139.2038 17753.0901 0.0000 0.0000 34378.1240 -149177.5457 300.2327 -183555.6697 -149076.5903 299.6331 -68.3268 -35.8378 558106.0413 -2.7571 -2.7115 PRESSURE: 2429800 -128.979 0.131321 96.9549 0.131991 -109.701 204.807 96.9544 204.807 -99.4655 GPRESSURE: 2429800 -116.744 -4.0822 58.4508 -46.9095 -92.6128 188.936 29.2574 204.418 -36.0674 PRESSAVG: 2429800 14.1031 -63.4238 -38.3754 -63.4238 28.9091 -47.7761 -38.3755 -47.7762 -3.8038 GPRESSAVG: 2429800 13.0974 -63.739 -38.5309 -63.2678 29.1106 -47.5064 -38.4452 -47.291 -3.1106 TIMING: 2429800 CPU: 7041.61, 0.00287028/step Wall: 7041.61, 0.00287028/step, 2.04922 hours remaining, 208.656250 MB of memory in use. ENERGY: 2429800 720.5477 2028.4083 1939.1969 108.6146 -206114.5146 17742.1203 0.0000 0.0000 34375.9977 -149199.6292 300.2141 -183575.6269 -149096.3086 298.6324 -112.7153 -81.8080 558828.7399 13.0695 13.0324 PRESSURE: 2430000 -13.6418 -30.2312 74.4909 -30.2318 361.903 -68.3064 74.4911 -68.3056 -61.4789 GPRESSURE: 2430000 52.281 -72.0796 25.6566 88.552 322.022 -54.8303 12.4561 -59.6273 -1.26489 PRESSAVG: 2430000 6.30918 -40.2497 -22.0227 -40.2496 6.53444 10.6494 -22.0227 10.6493 -20.4189 GPRESSAVG: 2430000 6.60099 -38.7838 -19.6909 -41.9382 7.15724 11.2893 -23.9778 12.5846 -21.5369 TIMING: 2430000 CPU: 7042.19, 0.00287677/step Wall: 7042.19, 0.00287677/step, 2.05369 hours remaining, 208.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2430000 714.4541 2064.1497 1948.3858 113.0787 -206033.8509 17660.8888 0.0000 0.0000 34351.3754 -149181.5184 299.9991 -183532.8938 -149087.2435 299.0135 95.5941 124.3459 556052.2537 -2.5251 -2.5929 PRESSURE: 2430200 -137.765 -101.608 31.3873 -101.606 145.012 -1.86246 31.3884 -1.86084 228.642 GPRESSURE: 2430200 -127.96 -18.3107 75.0721 -228.438 137.953 71.3113 -66.586 -34.3936 326.408 PRESSAVG: 2430200 24.8323 -26.6103 -5.4326 -26.6103 35.0824 19.2804 -5.43255 19.2804 -12.3422 GPRESSAVG: 2430200 24.7938 -29.0196 -6.35864 -24.8513 34.4699 19.2477 -4.61015 16.6419 -12.2682 TIMING: 2430200 CPU: 7042.76, 0.00287201/step Wall: 7042.76, 0.00287201/step, 2.05013 hours remaining, 208.656250 MB of memory in use. ENERGY: 2430200 712.6587 2056.5898 1945.5446 91.6104 -206095.7568 17696.4043 0.0000 0.0000 34425.9613 -149166.9876 300.6505 -183592.9490 -149067.7227 299.9063 78.6294 112.1334 555815.9178 15.8575 15.6652 PRESSURE: 2430400 383.204 -191.956 87.3348 -191.955 -71.0632 -76.9676 87.3336 -76.9675 416.835 GPRESSURE: 2430400 433.924 -216.258 79.6539 -80.4889 25.2495 -74.3074 74.8746 -158.983 382.014 PRESSAVG: 2430400 -18.7256 17.7574 19.348 17.7574 44.0337 19.3256 19.348 19.3256 24.7868 GPRESSAVG: 2430400 -19.2524 19.1367 18.9267 16.9095 45.0742 19.7313 19.2031 20.4484 24.3098 TIMING: 2430400 CPU: 7043.33, 0.00287594/step Wall: 7043.33, 0.00287594/step, 2.05278 hours remaining, 208.656250 MB of memory in use. ENERGY: 2430400 723.5714 2098.4797 1948.9166 124.5066 -206871.3586 18182.7576 0.0000 0.0000 34565.5649 -149227.5619 301.8697 -183793.1268 -149141.7447 299.2558 242.9921 280.3956 555110.6201 16.6983 16.7105 PRESSURE: 2430600 151.294 -90.1759 12.8301 -90.1746 -24.1934 90.2128 12.8309 90.2131 102.653 GPRESSURE: 2430600 173.325 -40.3647 70.8506 -21.4698 29.9513 62.6615 -3.63604 125.75 113.821 PRESSAVG: 2430600 44.5043 -73.0418 -30.0539 -73.0418 33.5893 20.3196 -30.0539 20.3196 -35.8511 GPRESSAVG: 2430600 45.3527 -71.9545 -33.2948 -72.7144 32.7618 19.8289 -27.7648 18.1412 -35.7315 TIMING: 2430600 CPU: 7043.91, 0.00286402/step Wall: 7043.91, 0.00286402/step, 2.04411 hours remaining, 208.656250 MB of memory in use. ENERGY: 2430600 739.2012 2066.7560 1961.5569 124.6061 -206301.7764 17883.2830 0.0000 0.0000 34343.0405 -149183.3327 299.9263 -183526.3731 -149095.8197 299.2895 76.5843 105.6990 556151.1558 14.0808 14.1277 PRESSURE: 2430800 -124.23 43.8372 -25.9369 43.8373 -133.441 120.712 -25.9362 120.713 9.72044 GPRESSURE: 2430800 -102.126 37.7332 -6.0865 85.0486 -109.631 128.243 -61.0283 86.2185 66.9085 PRESSAVG: 2430800 -28.5378 -21.054 18.1987 -21.054 19.1808 -21.9722 18.1988 -21.9721 -30.7772 GPRESSAVG: 2430800 -28.7703 -21.9149 19.3896 -21.2198 19.6998 -20.7269 15.9505 -21.8429 -31.1558 TIMING: 2430800 CPU: 7044.49, 0.00289048/step Wall: 7044.49, 0.00289048/step, 2.06284 hours remaining, 208.656250 MB of memory in use. ENERGY: 2430800 741.5912 2069.2546 1935.2606 137.9459 -206222.5766 17922.0633 0.0000 0.0000 34326.0437 -149090.4174 299.7779 -183416.4611 -148994.3681 299.6943 -82.6502 -48.2829 559835.9118 -13.3781 -13.4088 PRESSURE: 2431000 -142.227 -121.701 26.5474 -121.699 148.262 168.056 26.5479 168.057 -171.105 GPRESSURE: 2431000 -96.0194 -82.7828 59.6431 -166.222 140.812 132.767 13.5156 110.986 -114.082 PRESSAVG: 2431000 -59.1473 2.53138 27.2192 2.53136 54.4433 5.35412 27.2193 5.35416 15.4707 GPRESSAVG: 2431000 -58.5999 3.96394 26.5872 3.78402 54.4585 4.91779 28.5423 4.86505 14.6208 TIMING: 2431000 CPU: 7045.06, 0.00288357/step Wall: 7045.06, 0.00288357/step, 2.05775 hours remaining, 208.656250 MB of memory in use. ENERGY: 2431000 779.1218 2030.6402 1934.0582 100.2959 -206139.9808 18036.5280 0.0000 0.0000 34119.0866 -149140.2501 297.9705 -183259.3367 -149047.2922 299.1287 -55.0232 -23.0965 558875.3615 3.5889 3.4931 PRESSURE: 2431200 -216.824 -161.293 7.58271 -161.292 -221.879 37.1365 7.58278 37.138 74.4583 GPRESSURE: 2431200 -160.928 -78.2901 86.4231 -168.392 -182.095 27.6614 -54.5803 -29.2882 70.8453 PRESSAVG: 2431200 -15.656 -25.1941 37.6708 -25.194 22.6718 -18.4785 37.6709 -18.4784 -60.5126 GPRESSAVG: 2431200 -16.4057 -26.3675 38.1808 -26.598 22.1441 -18.1237 36.8931 -17.5283 -59.061 TIMING: 2431200 CPU: 7045.64, 0.00288257/step Wall: 7045.64, 0.00288258/step, 2.05688 hours remaining, 208.656250 MB of memory in use. ENERGY: 2431200 738.1337 2077.6955 1962.3316 108.0501 -205624.2279 17608.5864 0.0000 0.0000 34138.3569 -148991.0738 298.1388 -183129.4307 -148894.8918 299.0012 -121.4147 -90.7257 557831.6155 -17.8323 -17.7742 PRESSURE: 2431400 93.7877 -48.9604 11.4698 -48.9595 -124.939 60.9879 11.4698 60.9882 58.6653 GPRESSURE: 2431400 105.728 -97.2099 3.93293 -83.2122 -49.6118 61.0188 -11.4536 111.813 73.6513 PRESSAVG: 2431400 36.2756 -86.2218 50.7095 -86.2218 -44.181 52.4938 50.7095 52.4937 14.5115 GPRESSAVG: 2431400 36.2852 -85.7829 49.7815 -87.359 -43.6194 53.3981 50.0011 54.7136 13.8203 TIMING: 2431400 CPU: 7046.22, 0.00289785/step Wall: 7046.22, 0.00289785/step, 2.06761 hours remaining, 208.656250 MB of memory in use. ENERGY: 2431400 750.8793 2079.2385 1943.2102 114.1477 -205637.7051 17588.8456 0.0000 0.0000 34304.2690 -148857.1148 299.5877 -183161.3838 -148758.9854 300.3444 9.1713 43.2560 557151.5088 2.2020 2.1620 PRESSURE: 2431600 -134.391 31.7483 -57.8078 31.7468 53.3997 -184.324 -57.8075 -184.324 42.5583 GPRESSURE: 2431600 -81.7031 -10.3858 11.4194 -33.3763 68.286 -190.699 -84.5101 -104.256 71.3485 PRESSAVG: 2431600 24.331 -11.2008 22.469 -11.2008 -21.2947 9.09789 22.469 9.09785 9.68339 GPRESSAVG: 2431600 26.2491 -11.1023 23.7175 -11.0606 -22.5793 6.35874 22.1597 8.8551 9.13014 TIMING: 2431600 CPU: 7046.79, 0.00287781/step Wall: 7046.79, 0.00287781/step, 2.05315 hours remaining, 208.656250 MB of memory in use. ENERGY: 2431600 731.3758 2105.0906 1959.3790 117.4166 -205744.4420 17566.7722 0.0000 0.0000 34357.6678 -148906.7401 300.0541 -183264.4079 -148805.1903 300.2466 -12.8111 19.3105 557279.2428 4.2399 4.2666 PRESSURE: 2431800 -127.323 18.2856 164.018 18.2862 -204.952 14.9448 164.018 14.9442 -14.0398 GPRESSURE: 2431800 -106.439 -1.99416 69.0541 3.51357 -136.901 -45.7438 148.996 6.49101 -8.52011 PRESSAVG: 2431800 126.196 -21.4888 -1.179 -21.4887 -19.1848 57.5203 -1.17899 57.5203 -46.0903 GPRESSAVG: 2431800 124.99 -21.4969 -1.28504 -20.838 -18.4181 59.6248 -0.425982 55.9157 -45.4984 TIMING: 2431800 CPU: 7047.37, 0.00287452/step Wall: 7047.37, 0.00287452/step, 2.05065 hours remaining, 208.656250 MB of memory in use. ENERGY: 2431800 729.9370 2038.4329 1939.6602 107.6004 -205456.9738 17455.3100 0.0000 0.0000 34236.4505 -148949.5827 298.9954 -183186.0332 -148856.7081 300.3166 -115.4385 -83.9533 557965.6692 20.3071 20.3580 PRESSURE: 2432000 4.23868 -9.21087 118.564 -9.21182 -313.422 -3.61101 118.564 -3.61346 32.9901 GPRESSURE: 2432000 -47.5637 1.2434 114.595 -74.171 -247.946 -31.2848 86.1569 36.6681 112.913 PRESSAVG: 2432000 5.78078 -17.2624 18.7157 -17.2626 -7.44321 62.3185 18.7157 62.3185 -7.32326 GPRESSAVG: 2432000 5.98327 -18.9318 18.9579 -16.5475 -6.93526 61.2647 18.5775 63.7161 -7.97818 TIMING: 2432000 CPU: 7047.95, 0.00288883/step Wall: 7047.95, 0.00288883/step, 2.0607 hours remaining, 208.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2432000 739.2814 2100.3847 1944.7734 99.2646 -205741.4844 17725.6831 0.0000 0.0000 34338.0778 -148794.0192 299.8830 -183132.0971 -148692.7417 300.1109 -92.0644 -60.8654 559716.6271 -2.9952 -2.9767 PRESSURE: 2432200 125.464 -42.2663 -77.9125 -42.2679 -127.348 60.9928 -77.9132 60.9926 -275.879 GPRESSURE: 2432200 111.063 -32.0037 -66.0081 1.58353 -94.8702 34.8336 -146.341 45.7364 -197.15 PRESSAVG: 2432200 25.673 22.2031 48.9389 22.2031 7.86297 -4.60705 48.9389 -4.60708 -19.7675 GPRESSAVG: 2432200 24.8178 22.3619 49.9431 22.2975 7.35937 -5.71469 49.2458 -5.47565 -18.2884 TIMING: 2432200 CPU: 7048.52, 0.00287116/step Wall: 7048.52, 0.00287116/step, 2.04793 hours remaining, 208.656250 MB of memory in use. ENERGY: 2432200 748.8658 2061.2356 1947.7137 115.7567 -205894.7320 17567.5602 0.0000 0.0000 34421.9842 -149031.6158 300.6157 -183453.6000 -148940.4659 300.4469 -92.5875 -60.3192 558226.0366 4.5895 4.6296 LDB: ============= START OF LOAD BALANCING ============== 7051.91 LDB: ============== END OF LOAD BALANCING =============== 7051.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7051.91 LDB: ============= START OF LOAD BALANCING ============== 7052.2 LDB: Largest compute 4820 load 0.024386 is 20.7% of average load 0.117831 LDB: Average compute 0.001748 is 1.5% of average load 0.117831 LDB: TIME 7052.2 LOAD: AVG 0.117831 MAX 0.178386 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.223 MB LDB: TIME 7052.2 LOAD: AVG 0.117831 MAX 0.178386 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.426 MB LDB: TIME 7052.2 LOAD: AVG 0.117831 MAX 0.178386 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.426 MB LDB: ============== END OF LOAD BALANCING =============== 7052.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7052.21 PRESSURE: 2432400 -164.035 -5.7024 -38.1097 -5.70095 -274.733 -102.065 -38.1088 -102.067 10.2737 GPRESSURE: 2432400 -90.0082 21.9826 -101.543 34.6017 -277.358 -97.0494 1.08555 -119.941 35.5619 PRESSAVG: 2432400 31.985 -23.5735 -14.7029 -23.5735 -6.94837 42.3226 -14.7029 42.3225 -29.3935 GPRESSAVG: 2432400 32.3825 -22.1076 -16.6108 -23.9187 -6.25477 43.3949 -14.1226 41.1819 -29.9012 TIMING: 2432400 CPU: 7049.11, 0.00294681/step Wall: 7049.11, 0.00294681/step, 2.10173 hours remaining, 209.687500 MB of memory in use. ENERGY: 2432400 744.7932 2072.3034 1950.1148 105.1428 -206187.7309 17695.5943 0.0000 0.0000 34348.3354 -149271.4470 299.9726 -183619.7824 -149167.4888 299.2191 -142.8315 -110.6013 557931.2450 -1.4523 -1.2578 PRESSURE: 2432600 -148.222 -28.315 3.57866 -28.3151 -17.1734 39.2686 3.57894 39.2682 30.9878 GPRESSURE: 2432600 -152.174 -59.5163 51.7731 43.9745 11.7506 58.2211 9.75481 -39.6033 96.7412 PRESSAVG: 2432600 17.3254 31.0711 -8.75414 31.0712 27.1228 1.59572 -8.7541 1.59576 -29.0728 GPRESSAVG: 2432600 16.8424 28.7799 -6.73509 32.1048 27.5898 -0.936918 -9.87994 3.26446 -29.2154 TIMING: 2432600 CPU: 7049.68, 0.00286897/step Wall: 7049.68, 0.00286897/step, 2.04605 hours remaining, 209.757812 MB of memory in use. ENERGY: 2432600 722.5829 2083.4971 1966.7512 113.8818 -206276.6622 17815.7412 0.0000 0.0000 34337.3688 -149236.8393 299.8768 -183574.2081 -149142.5458 298.9839 -44.8027 -14.5609 559713.8717 5.1251 5.0723 PRESSURE: 2432800 -124.712 -35.6397 -92.9349 -35.6386 -326.576 74.496 -92.9338 74.4942 -541.877 GPRESSURE: 2432800 -60.909 -124.022 -72.9967 41.4349 -327.524 17.2905 -62.3225 112.14 -511.168 PRESSAVG: 2432800 57.324 14.2668 3.92484 14.2668 -64.7284 0.235732 3.92487 0.23565 -35.7483 GPRESSAVG: 2432800 58.7516 15.6285 4.13275 14.545 -65.9466 3.49879 4.53895 -0.425186 -35.8588 TIMING: 2432800 CPU: 7050.26, 0.00286707/step Wall: 7050.26, 0.00286707/step, 2.04454 hours remaining, 209.757812 MB of memory in use. ENERGY: 2432800 760.6092 2037.4290 1970.7213 119.7295 -205610.9320 17441.6615 0.0000 0.0000 33973.7349 -149307.0466 296.7011 -183280.7815 -149207.0061 298.4012 -331.0552 -299.8670 559367.1753 -14.3842 -14.3513 PRESSURE: 2433000 6.63685 71.8863 -29.7504 71.8875 153.845 -108.453 -29.7506 -108.453 93.9259 GPRESSURE: 2433000 75.7898 56.5454 -22.9442 56.8302 169.899 -241.308 -26.5809 14.606 108.382 PRESSAVG: 2433000 -44.2178 16.2156 42.8005 16.2157 61.3058 -42.7389 42.8005 -42.739 -21.7053 GPRESSAVG: 2433000 -44.3172 17.1218 40.7956 14.3037 61.451 -43.6314 44.6322 -42.0478 -21.6397 TIMING: 2433000 CPU: 7050.83, 0.00287513/step Wall: 7050.83, 0.00287513/step, 2.05012 hours remaining, 209.757812 MB of memory in use. ENERGY: 2433000 737.2277 2043.7685 1954.9882 108.3199 -206273.0596 17952.6230 0.0000 0.0000 34164.3112 -149311.8211 298.3654 -183476.1323 -149216.8694 298.6582 84.8024 118.0234 558060.6563 -1.5391 -1.5020 PRESSURE: 2433200 -140.841 25.8783 137.632 25.8779 121.185 0.134282 137.632 0.133555 115.497 GPRESSURE: 2433200 -105.739 116.309 52.4764 -8.72814 125.893 47.5424 49.7076 -26.8515 170.795 PRESSAVG: 2433200 4.12032 2.58852 -1.06027 2.58852 17.8073 -24.3444 -1.0603 -24.3443 -55.0865 GPRESSAVG: 2433200 3.80485 4.62901 -0.724721 0.645645 17.8905 -25.9805 -3.1243 -24.7152 -54.7205 TIMING: 2433200 CPU: 7051.41, 0.00287153/step Wall: 7051.41, 0.00287153/step, 2.0474 hours remaining, 209.757812 MB of memory in use. ENERGY: 2433200 732.4502 2085.3040 1994.8745 103.9087 -206375.5158 17833.1581 0.0000 0.0000 34300.4191 -149325.4013 299.5541 -183625.8204 -149220.6580 298.7357 31.9471 63.6498 557129.3184 -11.0530 -11.0084 PRESSURE: 2433400 39.4334 22.867 38.5914 22.8669 -59.6626 78.7551 38.5923 78.7568 -65.2712 GPRESSURE: 2433400 100.704 -33.283 96.766 19.8536 -42.7772 17.6619 31.7427 147.073 -43.7819 PRESSAVG: 2433400 -2.14614 24.1043 -16.7869 24.1043 8.87492 33.4877 -16.7869 33.4877 -21.5338 GPRESSAVG: 2433400 -2.23335 23.1859 -15.8947 25.7804 8.51949 34.7279 -17.928 34.1963 -20.8307 TIMING: 2433400 CPU: 7051.98, 0.00288599/step Wall: 7051.98, 0.00288599/step, 2.05755 hours remaining, 209.757812 MB of memory in use. ENERGY: 2433400 733.7041 2080.9226 1935.8361 104.4724 -206076.4521 17875.5806 0.0000 0.0000 33958.2340 -149387.7022 296.5657 -183345.9363 -149292.9474 298.5349 -28.5001 4.7149 559030.5448 -4.9350 -4.8482 PRESSURE: 2433600 59.2453 -75.8008 -59.3652 -75.8014 -217.47 -196.043 -59.3656 -196.044 19.3925 GPRESSURE: 2433600 122.465 -52.1048 -21.1458 -68.4975 -208.975 -223.869 -94.4288 -61.3717 50.4732 PRESSAVG: 2433600 -48.681 82.5865 -39.4243 82.5866 -7.89083 -31.7521 -39.4243 -31.7522 19.5022 GPRESSAVG: 2433600 -49.0354 81.2112 -40.985 81.0466 -6.85854 -30.4978 -37.9244 -33.4744 19.2714 TIMING: 2433600 CPU: 7052.56, 0.00287964/step Wall: 7052.56, 0.00287964/step, 2.05287 hours remaining, 209.757812 MB of memory in use. ENERGY: 2433600 718.2551 2092.9884 1957.9576 113.9941 -205956.2694 17749.3609 0.0000 0.0000 34136.6450 -149187.0683 298.1238 -183323.7134 -149086.5013 298.8118 -46.2775 -12.0122 559207.2831 -12.3565 -12.2075 PRESSURE: 2433800 361.108 -87.698 -89.8675 -87.6989 236.702 -68.729 -89.867 -68.7294 336.111 GPRESSURE: 2433800 406.01 -79.5676 -179.409 -73.3299 256.556 -140.384 40.4418 -10.0589 380.258 PRESSAVG: 2433800 54.0039 8.70153 -37.6632 8.70153 -18.3351 6.15625 -37.6632 6.1563 -23.2468 GPRESSAVG: 2433800 55.232 10.1166 -39.5607 10.8758 -19.5068 6.69645 -34.9216 3.93207 -22.5233 TIMING: 2433800 CPU: 7053.13, 0.00285638/step Wall: 7053.13, 0.00285638/step, 2.03613 hours remaining, 209.757812 MB of memory in use. ENERGY: 2433800 721.9355 2064.3722 1971.8710 111.6920 -206884.7227 18314.3043 0.0000 0.0000 34389.2137 -149311.3342 300.3296 -183700.5478 -149209.9981 298.6443 311.3068 347.6077 555961.8188 4.1407 4.4007 PRESSURE: 2434000 -346.992 51.1581 -92.7373 51.1568 41.5492 -124.284 -92.7379 -124.284 -99.456 GPRESSURE: 2434000 -293.323 66.0846 -46.2139 4.82489 69.0821 -57.1082 -82.7874 -73.0897 -81.624 PRESSAVG: 2434000 14.7818 22.7647 -42.708 22.7647 17.0257 -13.9191 -42.708 -13.9191 -15.1998 GPRESSAVG: 2434000 15.1655 21.7749 -41.0701 21.7754 18.0816 -15.9367 -45.0192 -9.90664 -16.4401 TIMING: 2434000 CPU: 7053.7, 0.00285983/step Wall: 7053.7, 0.00285983/step, 2.03843 hours remaining, 209.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2434000 728.7900 2056.9551 1987.2976 113.6303 -205891.0500 17451.8548 0.0000 0.0000 34228.9209 -149323.6013 298.9297 -183552.5222 -149225.6121 298.8486 -134.9664 -101.9551 556635.2411 5.5359 5.6023 PRESSURE: 2434200 -38.2077 91.2608 -35.6946 91.2594 -100.048 79.2569 -35.6935 79.256 20.3637 GPRESSURE: 2434200 -4.03326 34.4721 5.9312 72.9532 -60.5988 50.9577 -121.154 132.846 48.6325 PRESSAVG: 2434200 -6.45216 4.02455 -46.0547 4.0245 111.26 -10.7373 -46.0547 -10.7374 -87.6771 GPRESSAVG: 2434200 -6.5633 4.43337 -45.0955 3.94948 110.638 -10.9367 -45.4105 -11.6985 -87.1823 TIMING: 2434200 CPU: 7054.28, 0.00287192/step Wall: 7054.28, 0.00287192/step, 2.04688 hours remaining, 209.757812 MB of memory in use. ENERGY: 2434200 757.4121 2072.3931 1940.5787 106.8690 -206060.1359 17754.0425 0.0000 0.0000 34196.7622 -149232.0783 298.6488 -183428.8405 -149140.3177 298.5572 -39.2974 -5.3332 557575.5742 5.7102 5.6307 PRESSURE: 2434400 14.0975 107.557 -129.879 107.557 -188.635 -94.383 -129.88 -94.3842 280.557 GPRESSURE: 2434400 40.7185 147.118 -98.7019 142.005 -146.297 -50.0489 -166.257 -54.3937 319.481 PRESSAVG: 2434400 45.2163 58.8777 -29.9957 58.8777 13.9077 -52.6646 -29.9957 -52.6645 -33.2687 GPRESSAVG: 2434400 45.6774 59.6073 -30.8175 59.5391 13.3837 -53.2516 -29.1678 -51.7257 -33.2323 TIMING: 2434400 CPU: 7054.85, 0.00288753/step Wall: 7054.85, 0.00288753/step, 2.05785 hours remaining, 209.757812 MB of memory in use. ENERGY: 2434400 737.6945 2052.6567 1959.4462 112.2218 -206377.1430 17925.0377 0.0000 0.0000 34249.5701 -149340.5159 299.1100 -183590.0860 -149245.0577 298.9261 35.3398 71.3009 556506.8721 8.6184 8.6096 PRESSURE: 2434600 -11.2183 62.3328 -79.372 62.3339 97.0675 -162.384 -79.3722 -162.384 174.941 GPRESSURE: 2434600 39.3511 162.818 -54.3582 30.5764 149.214 -132.963 -58.13 -149.079 171.849 PRESSAVG: 2434600 -42.15 57.5404 34.8046 57.5404 13.764 -38.3489 34.8046 -38.3488 32.6008 GPRESSAVG: 2434600 -43.1953 57.4316 34.2341 57.1996 15.4967 -36.0918 34.0814 -40.6552 32.2138 TIMING: 2434600 CPU: 7055.43, 0.00288862/step Wall: 7055.43, 0.00288862/step, 2.05846 hours remaining, 209.757812 MB of memory in use. ENERGY: 2434600 762.4783 2123.6299 1963.2400 101.7023 -206395.0752 17913.2900 0.0000 0.0000 34156.8293 -149373.9054 298.3001 -183530.7347 -149276.6594 299.3019 86.9299 120.1379 557781.9582 1.4049 1.5051 PRESSURE: 2434800 -197.404 64.3205 35.5434 64.3203 -263.269 -9.39798 35.5425 -9.39734 -86.1283 GPRESSURE: 2434800 -161.867 17.1683 23.23 170.723 -240.926 37.0999 81.3318 -37.9484 -57.1052 PRESSAVG: 2434800 -18.7046 -0.498214 -4.00472 -0.498354 19.7308 -1.05567 -4.00463 -1.05563 -22.2387 GPRESSAVG: 2434800 -18.3624 -3.29348 -3.30245 1.29255 18.992 1.09115 -6.48771 -2.27462 -21.7394 TIMING: 2434800 CPU: 7056.01, 0.00289454/step Wall: 7056.01, 0.00289454/step, 2.06252 hours remaining, 209.757812 MB of memory in use. ENERGY: 2434800 717.9615 2167.6425 1977.8055 114.5385 -206108.2381 17475.9632 0.0000 0.0000 34248.9541 -149405.3728 299.1046 -183654.3269 -149312.1387 298.5489 -182.2672 -153.2993 556972.1986 -7.0708 -7.0366 PRESSURE: 2435000 -116.18 -62.218 26.0088 -62.2177 -19.3231 34.9638 26.01 34.9631 5.01206 GPRESSURE: 2435000 -80.9011 -98.2195 53.6177 -13.0367 54.9375 73.0868 -44.0786 59.2377 -6.96993 PRESSAVG: 2435000 71.3684 19.3142 46.726 19.3142 -65.5025 -18.5237 46.726 -18.5237 21.1216 GPRESSAVG: 2435000 70.9596 21.2407 47.4808 16.6459 -64.6151 -20.7796 47.1114 -14.9924 20.9124 TIMING: 2435000 CPU: 7056.59, 0.00289901/step Wall: 7056.59, 0.00289901/step, 2.06555 hours remaining, 209.757812 MB of memory in use. ENERGY: 2435000 771.3984 2111.0330 1957.4817 119.5234 -205972.4533 17669.1348 0.0000 0.0000 34180.2566 -149163.6254 298.5047 -183343.8820 -149067.1287 298.9593 -43.4970 -10.9779 557399.9295 8.9958 9.0857 PRESSURE: 2435200 8.49615 89.4295 -77.4048 89.4292 -190.102 81.4274 -77.4032 81.4269 -287.934 GPRESSURE: 2435200 34.8615 87.0527 -147.263 105.979 -190.235 122.298 -19.6919 48.1476 -220.6 PRESSAVG: 2435200 -7.61853 18.0104 -9.77635 18.0104 -5.71731 -10.5918 -9.77637 -10.5917 8.75626 GPRESSAVG: 2435200 -5.3489 16.608 -10.6179 18.0435 -7.37441 -12.0029 -9.15783 -11.0209 8.45791 TIMING: 2435200 CPU: 7057.17, 0.00289857/step Wall: 7057.17, 0.00289857/step, 2.06507 hours remaining, 209.757812 MB of memory in use. ENERGY: 2435200 754.4730 2042.3009 1952.8311 115.4462 -205976.7615 17753.6427 0.0000 0.0000 34396.3671 -148961.7005 300.3920 -183358.0676 -148864.2478 299.3191 -156.5135 -125.3244 560060.3493 -1.5265 -1.4218 PRESSURE: 2435400 -152.512 30.0239 193.208 30.0221 -123.959 77.4378 193.208 77.4382 -182.166 GPRESSURE: 2435400 -118.999 25.5001 90.7311 -53.7743 -92.6409 52.9305 195.523 69.0673 -149.082 PRESSAVG: 2435400 20.4521 11.4613 -5.29181 11.4614 11.4564 12.1755 -5.29176 12.1756 -40.1296 GPRESSAVG: 2435400 18.9053 12.7098 -3.6412 11.3246 12.8735 14.5199 -5.28118 9.89522 -40.235 TIMING: 2435400 CPU: 7057.75, 0.00290459/step Wall: 7057.75, 0.00290459/step, 2.0692 hours remaining, 209.757812 MB of memory in use. ENERGY: 2435400 745.2041 2087.4438 1965.8315 109.8434 -205881.6422 17711.4061 0.0000 0.0000 34622.1868 -148639.7266 302.3642 -183261.9134 -148542.5945 300.5841 -152.8790 -120.2406 559289.1433 -2.7404 -2.8187 PRESSURE: 2435600 -72.5833 6.59682 -106.291 6.59651 39.5708 -9.98708 -106.293 -9.98563 -246.608 GPRESSURE: 2435600 -38.4322 -3.59929 -85.8772 89.8942 73.1321 -35.0624 -188.857 10.8411 -214.196 PRESSAVG: 2435600 33.7211 -2.08265 -7.63924 -2.08259 34.9586 -2.2533 -7.63927 -2.25345 -34.073 GPRESSAVG: 2435600 34.4979 -2.50688 -9.71458 -1.54611 34.8199 -2.40339 -7.41146 -2.47735 -34.7461 TIMING: 2435600 CPU: 7058.33, 0.00288891/step Wall: 7058.33, 0.00288891/step, 2.05787 hours remaining, 209.757812 MB of memory in use. ENERGY: 2435600 787.2575 2150.5730 1954.1450 119.7786 -206102.3522 17880.4026 0.0000 0.0000 34470.3431 -148739.8524 301.0381 -183210.1956 -148640.8059 300.4252 -93.2067 -59.8321 558373.9301 11.5356 11.5239 PRESSURE: 2435800 -252.486 123.828 -30.1558 123.827 -133.813 -63.8229 -30.1562 -63.8223 -32.6291 GPRESSURE: 2435800 -238.612 56.7025 -65.7213 125.558 -99.8556 -195.854 17.2583 -6.4106 26.8521 PRESSAVG: 2435800 24.2281 44.8715 27.7748 44.8716 -65.5468 13.6943 27.7748 13.6943 19.7753 GPRESSAVG: 2435800 22.5161 46.285 27.0978 46.1485 -65.3094 11.7515 29.4345 15.3082 21.0696 TIMING: 2435800 CPU: 7058.91, 0.00288077/step Wall: 7058.91, 0.00288077/step, 2.05191 hours remaining, 209.757812 MB of memory in use. ENERGY: 2435800 766.1163 2093.6937 1975.9411 111.9208 -205749.9255 17465.5278 0.0000 0.0000 34538.1470 -148798.5789 301.6302 -183336.7259 -148698.7989 300.6375 -139.6425 -103.8718 558659.7817 -7.1811 -7.2412 PRESSURE: 2436000 -295.92 -115.135 124.776 -115.135 -86.0278 -92.5818 124.776 -92.582 237.037 GPRESSURE: 2436000 -245.946 -43.8283 115.975 -96.0065 -26.9311 -102.4 160.444 -99.2646 227.656 PRESSAVG: 2436000 44.1862 30.3535 24.9469 30.3535 -15.6383 -24.1755 24.9468 -24.1754 -25.4626 GPRESSAVG: 2436000 43.8969 28.1392 23.8607 32.4404 -14.5015 -22.4597 23.9252 -23.4103 -26.266 TIMING: 2436000 CPU: 7059.48, 0.00288123/step Wall: 7059.48, 0.00288123/step, 2.05208 hours remaining, 209.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2436000 713.4840 2145.1540 1974.8538 109.9477 -205478.6283 17526.6229 0.0000 0.0000 34276.6765 -148731.8892 299.3467 -183008.5658 -148639.5483 301.0143 -48.3036 -15.0738 557672.0902 1.0284 1.0432 PRESSURE: 2436200 20.2255 -77.8881 -45.0035 -77.8878 -4.64075 79.9338 -45.0026 79.935 -57.3455 GPRESSURE: 2436200 46.0592 -76.3255 -39.317 -77.8338 62.6835 19.0292 0.213333 137.689 -53.3974 PRESSAVG: 2436200 -5.28556 -51.6134 54.2178 -51.6133 26.7517 36.3468 54.2178 36.3469 -10.3939 GPRESSAVG: 2436200 -3.28624 -51.7757 55.7655 -53.2211 25.2762 34.3375 54.0987 35.2895 -11.2085 TIMING: 2436200 CPU: 7060.06, 0.0028774/step Wall: 7060.06, 0.0028774/step, 2.04918 hours remaining, 209.757812 MB of memory in use. ENERGY: 2436200 713.9710 2113.0847 1990.9860 108.4508 -205442.6332 17584.3270 0.0000 0.0000 34430.0870 -148501.7268 300.6865 -182931.8138 -148409.7722 300.7173 -13.9203 18.4484 558986.9915 3.6908 3.5938 LDB: ============= START OF LOAD BALANCING ============== 7063.44 LDB: ============== END OF LOAD BALANCING =============== 7063.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7063.44 LDB: ============= START OF LOAD BALANCING ============== 7063.73 LDB: Largest compute 4820 load 0.023866 is 20.2% of average load 0.118100 LDB: Average compute 0.001747 is 1.5% of average load 0.118100 LDB: TIME 7063.73 LOAD: AVG 0.1181 MAX 0.179038 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.051 MB LDB: TIME 7063.73 LOAD: AVG 0.1181 MAX 0.179038 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.051 MB LDB: TIME 7063.73 LOAD: AVG 0.1181 MAX 0.179038 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.051 MB LDB: ============== END OF LOAD BALANCING =============== 7063.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 7063.74 Info: useSync: 0 useProxySync: 0 PRESSURE: 2436400 -64.2529 -50.6029 -61.5929 -50.6042 128.986 19.3094 -61.5913 19.3078 97.5231 GPRESSURE: 2436400 -26.1208 -100.572 -135.362 -85.9562 190.045 -7.95048 21.6639 9.9543 91.5171 PRESSAVG: 2436400 15.5311 -49.1968 -34.1247 -49.1968 -42.9391 -10.9249 -34.1246 -10.9248 49.2867 GPRESSAVG: 2436400 14.6074 -46.8888 -33.7496 -51.6474 -42.0816 -10.6033 -34.4644 -9.92498 49.1035 TIMING: 2436400 CPU: 7060.64, 0.00293385/step Wall: 7060.64, 0.00293385/step, 2.08923 hours remaining, 208.980469 MB of memory in use. ENERGY: 2436400 738.7975 2053.2580 1977.5710 100.9669 -205840.9976 17889.3016 0.0000 0.0000 34323.6262 -148757.4764 299.7568 -183081.1026 -148658.6069 300.7751 54.0855 85.1471 558890.6595 7.2929 7.2097 PRESSURE: 2436600 -57.1055 -83.692 -104.127 -83.6935 -220.709 36.7551 -104.126 36.7539 -14.6918 GPRESSURE: 2436600 -57.1706 -107.051 -12.326 3.83031 -151.652 12.4004 -109.747 43.6443 4.88659 PRESSAVG: 2436600 16.6532 -42.9761 30.9304 -42.976 -38.9002 42.4528 30.9303 42.4528 -28.9082 GPRESSAVG: 2436600 15.852 -44.7151 31.0153 -41.2986 -40.1579 42.8335 31.2219 43.2828 -27.6271 TIMING: 2436600 CPU: 7061.22, 0.00289689/step Wall: 7061.22, 0.00289689/step, 2.06275 hours remaining, 208.980469 MB of memory in use. ENERGY: 2436600 746.7983 2058.1813 1949.4048 116.0350 -205872.0722 17721.4046 0.0000 0.0000 34179.2850 -149100.9633 298.4962 -183280.2483 -148999.6113 299.5376 -97.5022 -67.9786 558963.6865 -17.0517 -17.3110 PRESSURE: 2436800 152.153 -62.602 44.211 -62.6041 -46.7678 -33.1685 44.2108 -33.1671 171.148 GPRESSURE: 2436800 227.824 -43.7533 -20.7917 -52.723 -10.2697 -193.44 52.5748 -19.3605 161.244 PRESSAVG: 2436800 -34.3564 -12.9649 -21.9581 -12.9649 -35.5912 31.7904 -21.9581 31.7904 48.838 GPRESSAVG: 2436800 -35.0087 -12.5247 -24.4408 -13.1579 -34.8733 33.2963 -21.1986 30.5279 48.1842 TIMING: 2436800 CPU: 7061.8, 0.00290315/step Wall: 7061.8, 0.00290315/step, 2.06705 hours remaining, 208.980469 MB of memory in use. ENERGY: 2436800 730.5058 2095.2747 1953.3126 123.3795 -206269.3675 17921.2071 0.0000 0.0000 34364.4212 -149081.2667 300.1130 -183445.6879 -148984.7841 299.4516 92.1778 126.2658 557746.2877 -7.0365 -7.2326 PRESSURE: 2437000 52.647 -93.4886 -59.5088 -93.4895 47.7872 27.9264 -59.508 27.9272 218.106 GPRESSURE: 2437000 113.753 -101.307 -10.9831 -137.839 31.3911 -24.1964 66.5734 25.6157 264.635 PRESSAVG: 2437000 21.4266 -49.7894 23.9452 -49.7896 -44.9257 -31.0507 23.9452 -31.0507 -14.4604 GPRESSAVG: 2437000 21.7821 -51.5201 27.0382 -49.4604 -45.285 -32.9001 23.1989 -28.7982 -13.9901 TIMING: 2437000 CPU: 7062.39, 0.00291397/step Wall: 7062.39, 0.00291397/step, 2.07458 hours remaining, 209.273438 MB of memory in use. ENERGY: 2437000 763.2038 2112.5771 1946.0682 123.8263 -206389.1463 17979.1758 0.0000 0.0000 34284.3581 -149179.9370 299.4138 -183464.2951 -149076.8191 299.1766 106.1800 136.5929 556555.0592 -12.6532 -12.4977 PRESSURE: 2437200 -144.922 -6.83761 -54.8435 -6.83844 -248.011 21.6386 -54.8436 21.6377 -106.116 GPRESSURE: 2437200 -149.75 -26.248 -100.358 -21.4767 -209.145 40.8006 -99.7273 7.01353 -33.2624 PRESSAVG: 2437200 47.8078 -65.6792 16.5183 -65.6791 -20.5902 12.0942 16.5184 12.0942 -26.4721 GPRESSAVG: 2437200 48.7211 -64.8614 15.5404 -65.9135 -20.9495 11.0788 16.9867 11.6229 -26.6475 TIMING: 2437200 CPU: 7062.97, 0.00289327/step Wall: 7062.97, 0.00289327/step, 2.05968 hours remaining, 209.273438 MB of memory in use. ENERGY: 2437200 782.1122 2079.0555 1948.1474 115.0364 -205780.1033 17547.2518 0.0000 0.0000 34198.6510 -149109.8490 298.6653 -183308.5000 -149013.3826 299.4246 -166.3493 -130.7191 558427.5499 0.2485 0.3747 PRESSURE: 2437400 -351.236 40.3012 -137.712 40.301 -238.079 -57.7505 -137.712 -57.751 -216.595 GPRESSURE: 2437400 -313.079 43.1472 -116.524 -53.967 -200.801 -11.9495 -63.9002 -94.089 -186.723 PRESSAVG: 2437400 58.2261 -13.945 -29.2239 -13.945 -30.812 -26.4808 -29.224 -26.4808 -9.75108 GPRESSAVG: 2437400 57.4207 -15.76 -30.603 -13.0343 -29.8409 -26.0955 -29.61 -28.4516 -9.59206 TIMING: 2437400 CPU: 7063.55, 0.00289865/step Wall: 7063.55, 0.00289865/step, 2.06335 hours remaining, 209.273438 MB of memory in use. ENERGY: 2437400 745.8185 2080.9229 1960.1032 115.5509 -205614.6055 17389.1657 0.0000 0.0000 34396.8920 -148926.1523 300.3966 -183323.0443 -148830.4983 298.7663 -268.6366 -233.5341 558779.4726 5.8877 5.9959 PRESSURE: 2437600 -11.7174 48.5696 18.2671 48.5688 126.764 116.777 18.2666 116.777 -228.462 GPRESSURE: 2437600 43.9138 37.8043 8.94573 37.7409 147.366 50.5827 -89.2992 147.974 -207.37 PRESSAVG: 2437600 15.6089 0.423125 11.9492 0.423138 -1.38301 -11.7154 11.9492 -11.7154 22.9675 GPRESSAVG: 2437600 15.7485 3.08226 13.4844 -1.59795 -1.12775 -12.8324 11.6604 -9.30603 22.4229 TIMING: 2437600 CPU: 7064.12, 0.00289106/step Wall: 7064.12, 0.00289106/step, 2.05779 hours remaining, 209.273438 MB of memory in use. ENERGY: 2437600 771.5738 2136.6270 1962.0289 127.4181 -205934.1479 17700.5036 0.0000 0.0000 34291.9477 -148944.0488 299.4801 -183235.9965 -148848.3260 300.1429 -37.8050 -5.3635 558947.5099 12.3978 12.3479 PRESSURE: 2437800 -203.827 291.596 -17.9005 291.594 -145.543 82.9032 -17.9002 82.9022 345.596 GPRESSURE: 2437800 -207.342 295.151 60.123 164.041 -89.1729 151.541 -77.8947 15.0057 382.847 PRESSAVG: 2437800 26.5232 5.27213 -15.0827 5.27209 25.7802 36.8801 -15.0827 36.8802 -38.0529 GPRESSAVG: 2437800 26.0948 4.81928 -14.3466 5.76627 25.226 39.409 -16.0926 34.9377 -36.3046 TIMING: 2437800 CPU: 7064.7, 0.00286348/step Wall: 7064.7, 0.00286348/step, 2.038 hours remaining, 209.273438 MB of memory in use. ENERGY: 2437800 773.1986 2132.3714 1954.2154 130.9478 -206215.8917 17822.1953 0.0000 0.0000 34350.3869 -149052.5764 299.9905 -183402.9633 -148956.3558 299.7358 -1.2579 28.7775 555716.9593 4.7502 5.0054 PRESSURE: 2438000 81.0028 -46.2655 10.1948 -46.2658 11.2524 100.9 10.1932 100.9 -139.348 GPRESSURE: 2438000 131.028 -87.1957 -53.1218 17.1665 -9.73457 121.126 20.0067 96.5397 -79.3857 PRESSAVG: 2438000 -5.53778 44.9635 -49.8642 44.9634 16.1623 9.18334 -49.8643 9.18332 -39.892 GPRESSAVG: 2438000 -4.03064 44.829 -49.8471 45.239 15.8066 7.68929 -47.7981 9.51646 -40.8428 TIMING: 2438000 CPU: 7065.27, 0.00287169/step Wall: 7065.27, 0.00287169/step, 2.04369 hours remaining, 209.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2438000 736.5316 2089.4469 1954.2646 120.2218 -205466.3275 17477.9131 0.0000 0.0000 34170.9394 -148917.0101 298.4233 -183087.9495 -148820.9456 299.2604 -15.6976 13.9693 556913.4825 -9.7558 -9.6889 PRESSURE: 2438200 200.689 -23.3739 -141.792 -23.3733 212.752 -151.48 -141.791 -151.478 269.327 GPRESSURE: 2438200 240.449 -35.2989 -80.6101 -115.041 226.743 -154.66 -170.09 -125.18 327.069 PRESSAVG: 2438200 -33.6485 14.731 -22.9585 14.731 90.9114 9.03206 -22.9585 9.0321 -45.156 GPRESSAVG: 2438200 -34.6475 14.8547 -23.0951 14.2344 91.0601 9.55572 -23.7161 8.83981 -43.8433 TIMING: 2438200 CPU: 7065.85, 0.00289126/step Wall: 7065.85, 0.00289126/step, 2.05745 hours remaining, 209.273438 MB of memory in use. ENERGY: 2438200 760.8928 2092.5463 1958.5511 118.1068 -206259.0342 17965.6371 0.0000 0.0000 34445.1959 -148918.1042 300.8185 -183363.3000 -148815.4066 300.1249 227.5897 264.7538 555899.1723 4.0356 4.1898 PRESSURE: 2438400 25.1578 -8.89487 -8.18056 -8.89347 -71.9468 42.4926 -8.17883 42.4926 71.0722 GPRESSURE: 2438400 68.686 59.9071 -54.4287 -135.198 -16.4839 133.727 -45.4761 -58.8877 78.328 PRESSAVG: 2438400 -5.09505 -20.1032 -43.1076 -20.1033 16.2193 -62.4649 -43.1076 -62.4648 1.97087 GPRESSAVG: 2438400 -5.21535 -19.4959 -43.4369 -19.8369 18.213 -61.0603 -41.2372 -63.2865 -0.0320154 TIMING: 2438400 CPU: 7066.43, 0.00288594/step Wall: 7066.43, 0.00288594/step, 2.0535 hours remaining, 209.445312 MB of memory in use. ENERGY: 2438400 730.6019 2038.7570 1954.9160 115.7184 -205849.2573 17746.6638 0.0000 0.0000 34295.4961 -148967.1040 299.5111 -183262.6002 -148876.8408 299.8239 8.0944 43.5100 558485.9528 4.3650 4.3219 PRESSURE: 2438600 44.1268 45.0508 -40.2986 45.0507 395.724 194.879 -40.2985 194.879 58.9686 GPRESSURE: 2438600 122.106 53.3447 74.2733 -46.1133 399.112 150.534 -30.0473 189.086 74.1678 PRESSAVG: 2438600 -4.24657 2.33453 -14.2763 2.33459 -4.49067 18.9592 -14.2764 18.9591 5.01189 GPRESSAVG: 2438600 -3.53994 -0.614013 -15.5309 2.64059 -6.29723 17.0993 -14.6967 21.0678 6.56553 TIMING: 2438600 CPU: 7067.01, 0.00289562/step Wall: 7067.01, 0.00289562/step, 2.06024 hours remaining, 209.445312 MB of memory in use. ENERGY: 2438600 744.3142 2107.1362 1949.1266 113.5679 -206167.9010 17974.1290 0.0000 0.0000 34378.2824 -148901.3448 300.2341 -183279.6271 -148805.5529 299.9049 166.2732 198.4618 556640.0199 -1.2418 -1.0906 PRESSURE: 2438800 -136.252 -108.876 -16.0799 -108.876 158.471 135.995 -16.0806 135.995 -76.2141 GPRESSURE: 2438800 -127.883 -81.694 -49.7868 -36.0686 199.917 80.7072 -49.936 147.771 -28.3149 PRESSAVG: 2438800 -60.38 -17.6129 2.26855 -17.6129 70.757 59.303 2.26854 59.303 -2.79726 GPRESSAVG: 2438800 -60.256 -15.5258 3.99645 -16.9883 71.2869 61.8031 1.13099 59.4671 -2.96754 TIMING: 2438800 CPU: 7067.58, 0.00288583/step Wall: 7067.58, 0.00288583/step, 2.05311 hours remaining, 209.445312 MB of memory in use. ENERGY: 2438800 783.7239 2023.0543 1960.1701 128.4770 -206180.1181 17841.3994 0.0000 0.0000 34442.3177 -149000.9757 300.7933 -183443.2934 -148910.6755 300.0266 -17.9984 14.5728 557130.6236 2.5266 2.6878 PRESSURE: 2439000 -188.634 -40.8864 201.867 -40.8879 114.699 45.6499 201.866 45.6502 -142.417 GPRESSURE: 2439000 -95.0843 -28.9657 173.333 -38.9046 97.0972 25.5448 236.524 62.0274 -126.838 PRESSAVG: 2439000 46.8892 -50.0769 -38.4911 -50.077 29.9894 15.7084 -38.4912 15.7084 -13.7761 GPRESSAVG: 2439000 47.5125 -50.4656 -37.0143 -49.0658 29.8142 14.248 -39.6439 14.6181 -13.942 TIMING: 2439000 CPU: 7068.16, 0.00288381/step Wall: 7068.16, 0.00288381/step, 2.05151 hours remaining, 209.445312 MB of memory in use. ENERGY: 2439000 756.6123 2079.3833 1944.1603 116.7961 -206119.9974 17766.1467 0.0000 0.0000 34225.0052 -149231.8935 298.8955 -183456.8988 -149132.2936 300.2082 -72.1174 -41.6084 557398.0983 21.0342 21.1282 PRESSURE: 2439200 -51.8649 -2.63233 -10.8011 -2.63296 104.211 -32.8158 -10.801 -32.8151 32.2661 GPRESSURE: 2439200 -32.9147 -45.22 -37.1569 17.8065 96.4717 -66.282 -38.2454 2.49969 102.196 PRESSAVG: 2439200 -6.2489 -26.4092 -38.2942 -26.4093 -7.06963 -26.4274 -38.2942 -26.4275 24.7262 GPRESSAVG: 2439200 -7.44502 -27.7333 -41.0031 -28.4327 -5.92356 -27.7241 -37.5187 -25.3551 24.0847 TIMING: 2439200 CPU: 7068.73, 0.00286233/step Wall: 7068.73, 0.00286233/step, 2.03607 hours remaining, 209.445312 MB of memory in use. ENERGY: 2439200 749.8243 2114.2470 1939.0137 126.9381 -206426.1168 17830.4304 0.0000 0.0000 34549.1494 -149116.5138 301.7263 -183665.6633 -149012.5174 299.6021 28.2042 55.2510 556477.6720 3.8025 3.5720 PRESSURE: 2439400 80.0837 147.12 -37.017 147.119 -360.924 35.6944 -37.0164 35.6955 150.496 GPRESSURE: 2439400 126.358 102.764 25.9765 232.919 -337.608 38.9545 35.6241 28.5019 180.843 PRESSAVG: 2439400 14.4003 -4.29769 -60.7015 -4.29771 -53.6784 20.1769 -60.7015 20.1771 27.9392 GPRESSAVG: 2439400 15.2259 -2.85001 -59.9997 -3.41112 -54.2808 21.1411 -60.4128 20.4352 28.1071 TIMING: 2439400 CPU: 7069.31, 0.00286725/step Wall: 7069.31, 0.00286725/step, 2.03941 hours remaining, 209.445312 MB of memory in use. ENERGY: 2439400 780.6594 2147.0280 1955.6716 114.5807 -206420.7453 17830.6793 0.0000 0.0000 34419.9325 -149172.1938 300.5978 -183592.1263 -149075.7475 299.9145 -43.4481 -10.1359 556920.7745 -3.7796 -3.6493 PRESSURE: 2439600 -82.9226 97.4311 -121.486 97.4302 -150.304 53.6757 -121.487 53.6757 4.41763 GPRESSURE: 2439600 -66.2479 82.3741 -68.9415 91.628 -122.828 71.6734 -192.015 85.3006 47.5356 PRESSAVG: 2439600 16.7906 6.15108 -32.3251 6.15097 -63.1747 -65.1127 -32.3251 -65.1125 25.1092 GPRESSAVG: 2439600 16.6173 5.45181 -32.7264 8.39979 -63.2744 -63.955 -31.8181 -66.1684 25.4672 TIMING: 2439600 CPU: 7069.88, 0.00287797/step Wall: 7069.88, 0.00287797/step, 2.04687 hours remaining, 209.445312 MB of memory in use. ENERGY: 2439600 756.9821 2113.5019 1944.8351 121.4148 -206005.3864 17688.0845 0.0000 0.0000 34256.4822 -149124.0858 299.1704 -183380.5680 -149024.9917 299.3565 -76.2698 -47.1801 558293.4559 -7.0916 -7.0633 PRESSURE: 2439800 249.053 69.0815 -138.697 69.0812 7.94039 -73.0036 -138.697 -73.0049 363.531 GPRESSURE: 2439800 308.793 102.366 -198.305 35.9433 -18.4015 79.5205 -48.0949 -55.4774 427.743 PRESSAVG: 2439800 -2.73327 -11.5117 -30.7142 -11.5117 55.7449 -42.6995 -30.7142 -42.6996 15.4626 GPRESSAVG: 2439800 -3.20556 -9.58035 -30.1028 -13.9212 55.6284 -43.6955 -32.4167 -40.5584 15.9839 TIMING: 2439800 CPU: 7070.46, 0.00288949/step Wall: 7070.46, 0.00288949/step, 2.05491 hours remaining, 209.445312 MB of memory in use. ENERGY: 2439800 769.5397 2094.6954 1978.7620 115.7936 -206589.2167 18141.8894 0.0000 0.0000 34126.6011 -149361.9355 298.0361 -183488.5366 -149267.3752 299.6446 206.8415 239.3780 557206.3819 22.8247 22.8023 PRESSURE: 2440000 -274.115 32.0302 61.2041 32.0313 -23.7965 -7.4756 61.2041 -7.47741 -83.529 GPRESSURE: 2440000 -251.993 88.6284 56.044 -11.11 30.2672 -53.3882 87.1383 -53.6416 -61.5373 PRESSAVG: 2440000 61.4482 49.3452 -36.4462 49.3453 -18.433 -35.9202 -36.4461 -35.9202 -51.9281 GPRESSAVG: 2440000 60.1227 48.6707 -33.4753 51.365 -17.7308 -37.6692 -35.6853 -37.168 -51.0298 TIMING: 2440000 CPU: 7071.03, 0.00287071/step Wall: 7071.03, 0.00287071/step, 2.0414 hours remaining, 209.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2440000 752.2089 2136.1504 1963.4943 106.6506 -206248.4379 17731.1403 0.0000 0.0000 34106.6951 -149452.0982 297.8623 -183558.7934 -149356.3192 298.4863 -127.1468 -94.4209 557283.6896 -2.9710 -2.8793 PRESSURE: 2440200 -109.055 160.088 121.086 160.087 209.132 -29.6541 121.087 -29.6547 -36.668 GPRESSURE: 2440200 -80.2334 118.816 105.279 201.237 234.111 -40.8701 117.223 -26.0221 11.7024 PRESSAVG: 2440200 -16.5749 44.3251 30.7676 44.3249 -65.0062 -31.8105 30.7677 -31.8106 95.5268 GPRESSAVG: 2440200 -15.019 43.7821 28.5479 43.4759 -65.2842 -31.51 31.399 -30.8396 94.3841 TIMING: 2440200 CPU: 7071.61, 0.0028787/step Wall: 7071.61, 0.0028787/step, 2.04691 hours remaining, 209.445312 MB of memory in use. ENERGY: 2440200 735.9272 2077.6024 1981.0359 115.8263 -206525.3157 17972.6992 0.0000 0.0000 34248.2007 -149394.0240 299.0981 -183642.2246 -149300.2801 297.7241 21.1364 55.1934 557537.2837 4.6486 4.6937 LDB: ============= START OF LOAD BALANCING ============== 7075 LDB: ============== END OF LOAD BALANCING =============== 7075 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7075 LDB: ============= START OF LOAD BALANCING ============== 7075.29 LDB: Largest compute 4820 load 0.024036 is 20.4% of average load 0.117915 LDB: Average compute 0.001750 is 1.5% of average load 0.117915 LDB: TIME 7075.29 LOAD: AVG 0.117915 MAX 0.178886 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.926 MB LDB: TIME 7075.29 LOAD: AVG 0.117915 MAX 0.178886 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.926 MB LDB: TIME 7075.29 LOAD: AVG 0.117915 MAX 0.178886 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7075.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7075.3 PRESSURE: 2440400 -8.34118 -69.4715 93.8055 -69.4715 -198.106 22.7342 93.8062 22.7349 143.057 GPRESSURE: 2440400 -17.5218 -50.4134 159.055 -155.321 -231.4 23.6783 108.81 46.1704 282.151 PRESSAVG: 2440400 -43.9554 -38.2921 26.1634 -38.2921 -8.46596 8.5831 26.1634 8.58315 79.3968 GPRESSAVG: 2440400 -44.7198 -39.7213 26.3567 -39.3689 -8.46706 10.8663 26.5764 7.7161 80.425 TIMING: 2440400 CPU: 7072.2, 0.00295804/step Wall: 7072.2, 0.00295804/step, 2.10317 hours remaining, 208.531250 MB of memory in use. ENERGY: 2440400 738.8584 2115.2175 1967.5250 103.2585 -205930.3495 17568.9562 0.0000 0.0000 34123.1962 -149313.3377 298.0064 -183436.5339 -149216.5241 298.7633 -21.1300 11.0763 557909.6949 8.9918 9.0794 PRESSURE: 2440600 -276.365 -110.46 56.5642 -110.459 -157.27 -259.864 56.5642 -259.864 21.377 GPRESSURE: 2440600 -261.939 -94.7786 168.471 -164.221 -97.2303 -200.897 59.2 -235.219 42.878 PRESSAVG: 2440600 43.5272 -84.1133 67.6948 -84.1133 -29.9931 -9.87718 67.695 -9.87716 -20.1788 GPRESSAVG: 2440600 42.8141 -81.3467 67.941 -84.4046 -28.1923 -11.0989 67.2032 -10.5262 -21.6656 TIMING: 2440600 CPU: 7072.78, 0.0028803/step Wall: 7072.78, 0.0028803/step, 2.04774 hours remaining, 208.531250 MB of memory in use. ENERGY: 2440600 793.4346 2023.8536 1962.6773 120.0861 -206195.6359 17685.7797 0.0000 0.0000 34182.8915 -149426.9130 298.5277 -183609.8045 -149323.2012 298.6294 -137.4192 -105.4305 557957.1840 -2.2149 -2.3480 PRESSURE: 2440800 122.65 -99.6429 -152.681 -99.6422 -22.0266 -153.26 -152.681 -153.262 36.407 GPRESSURE: 2440800 159.835 -114.548 -203.63 -108.135 -32.1347 -166.799 -99.4014 -49.2295 107.227 PRESSAVG: 2440800 -11.6611 -31.2879 -9.60624 -31.2879 29.0518 -33.3178 -9.60619 -33.3178 -36.9368 GPRESSAVG: 2440800 -12.4026 -32.3815 -10.9471 -31.6769 27.5173 -33.0118 -9.03517 -33.9516 -34.8484 TIMING: 2440800 CPU: 7073.35, 0.00286365/step Wall: 7073.35, 0.00286365/step, 2.03573 hours remaining, 208.531250 MB of memory in use. ENERGY: 2440800 733.0981 2152.1119 1952.3307 126.3828 -206519.3125 17859.5111 0.0000 0.0000 34290.5418 -149405.3362 299.4678 -183695.8780 -149308.9169 298.7766 45.6768 78.3090 556639.7615 -6.5154 -6.5779 PRESSURE: 2441000 83.8048 -24.9038 74.8743 -24.9024 121.473 -120.196 74.8752 -120.196 75.7412 GPRESSURE: 2441000 138.223 -43.6682 137.575 39.3332 110.502 -67.3522 27.1945 -95.2956 127.922 PRESSAVG: 2441000 10.2046 -4.26602 7.64505 -4.26603 -13.6403 -16.1781 7.64518 -16.178 24.8415 GPRESSAVG: 2441000 11.8651 -5.90814 8.55849 -2.22133 -14.0618 -17.3144 6.45115 -16.0275 24.0342 TIMING: 2441000 CPU: 7073.93, 0.00288132/step Wall: 7073.93, 0.00288131/step, 2.04813 hours remaining, 208.531250 MB of memory in use. ENERGY: 2441000 774.5664 2053.6685 1943.7183 110.3444 -206458.8145 18031.0394 0.0000 0.0000 34188.7723 -149356.7052 298.5791 -183545.4775 -149264.7177 299.5558 93.6731 125.5487 556398.6469 7.1352 7.2792 PRESSURE: 2441200 -59.0344 -27.1648 98.6408 -27.1644 9.03918 84.6476 98.6411 84.6457 124.2 GPRESSURE: 2441200 -23.2034 -9.02835 102.851 -89.4673 25.2906 115.463 70.5398 107.547 154.645 PRESSAVG: 2441200 -68.2482 -14.2372 6.37303 -14.2371 33.7339 25.8659 6.3731 25.8659 -23.0068 GPRESSAVG: 2441200 -68.8464 -12.8922 5.69506 -15.3929 32.7131 26.8311 4.81912 26.6661 -21.2759 TIMING: 2441200 CPU: 7074.5, 0.00287222/step Wall: 7074.5, 0.00287222/step, 2.04151 hours remaining, 208.531250 MB of memory in use. ENERGY: 2441200 755.5450 2056.7001 1953.4244 112.6356 -206363.2371 17867.1503 0.0000 0.0000 34072.4136 -149545.3682 297.5629 -183617.7818 -149450.7692 298.7153 24.7350 52.2440 556390.1712 -19.1737 -19.1364 PRESSURE: 2441400 -252.05 -135.753 78.9275 -135.752 -51.709 91.5373 78.9273 91.535 -191.283 GPRESSURE: 2441400 -230.37 -157.896 82.6926 -179.719 -19.6735 12.0316 110.762 105.501 -140.929 PRESSAVG: 2441400 48.1499 -27.8044 15.8948 -27.8045 -38.9556 -19.3192 15.8948 -19.3192 29.4378 GPRESSAVG: 2441400 47.8389 -28.5702 17.8343 -28.0609 -37.7713 -19.8355 18.4444 -20.3473 28.2513 TIMING: 2441400 CPU: 7075.08, 0.00288819/step Wall: 7075.08, 0.00288819/step, 2.0527 hours remaining, 208.531250 MB of memory in use. ENERGY: 2441400 736.3783 2033.9880 1978.2062 112.0949 -205859.0785 17485.7268 0.0000 0.0000 34195.3524 -149317.3318 298.6365 -183512.6842 -149220.1951 298.7175 -165.0139 -130.3241 557698.4931 12.8774 12.7730 PRESSURE: 2441600 -1.15317 -53.097 126.083 -53.0984 -49.996 9.47345 126.083 9.47394 -12.0327 GPRESSURE: 2441600 39.2106 -13.3397 81.5765 -84.7794 -17.7592 -2.27043 132.868 -78.3913 31.5696 PRESSAVG: 2441600 47.4658 -57.0753 49.4897 -57.0754 -26.5088 -7.15184 49.4896 -7.15177 -16.3797 GPRESSAVG: 2441600 46.9788 -55.6928 46.8242 -56.7761 -25.8566 -8.26237 47.6866 -4.10334 -16.7071 TIMING: 2441600 CPU: 7075.65, 0.00287917/step Wall: 7075.65, 0.00287917/step, 2.04613 hours remaining, 208.531250 MB of memory in use. ENERGY: 2441600 760.5416 2081.9575 1945.4232 102.2324 -206530.8209 18074.3878 0.0000 0.0000 34223.5578 -149342.7207 298.8828 -183566.2784 -149244.2989 299.4783 -21.0606 17.6736 556136.6995 1.5257 1.4717 PRESSURE: 2441800 -253.029 80.743 -33.9719 80.7432 104.671 -31.7237 -33.9723 -31.7238 -86.4145 GPRESSURE: 2441800 -187.755 58.5244 -154.91 85.9398 134.216 45.6628 -27.1015 -23.5743 -79.3361 PRESSAVG: 2441800 -75.4413 33.7625 -66.6663 33.7625 110.464 -13.8734 -66.6663 -13.8734 -17.1782 GPRESSAVG: 2441800 -74.3993 31.6848 -64.6216 35.5796 110.299 -11.8518 -65.9814 -16.2194 -17.72 TIMING: 2441800 CPU: 7076.23, 0.00288527/step Wall: 7076.23, 0.00288527/step, 2.05031 hours remaining, 208.531250 MB of memory in use. ENERGY: 2441800 734.1020 2062.0478 1943.8603 125.5092 -206431.7281 17812.8946 0.0000 0.0000 34334.7641 -149418.5502 299.8540 -183753.3143 -149324.2606 299.1288 -78.2577 -44.2918 556248.8943 5.9481 6.0600 PRESSURE: 2442000 -218.111 122.868 62.7156 122.869 59.9106 43.0646 62.7159 43.0657 -8.2012 GPRESSURE: 2442000 -117.285 111.07 170.187 117.353 181.397 73.7131 46.4755 1.97551 -131.697 PRESSAVG: 2442000 -21.6487 46.6671 -49.5525 46.6671 28.1681 -33.2341 -49.5524 -33.234 -53.0456 GPRESSAVG: 2442000 -21.1462 45.8301 -50.5306 45.1854 27.8089 -34.5556 -49.9998 -32.1561 -53.2017 TIMING: 2442000 CPU: 7076.8, 0.00287247/step Wall: 7076.8, 0.00287247/step, 2.04105 hours remaining, 208.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2442000 754.7820 2090.0004 1968.6414 112.6961 -206393.6370 17655.2314 0.0000 0.0000 34198.8415 -149613.4442 298.6670 -183812.2857 -149514.1116 298.4539 -55.4673 -22.5283 556160.5049 -15.5087 -15.5130 PRESSURE: 2442200 133.889 73.6733 111.793 73.6742 27.632 -77.6079 111.792 -77.6063 77.6735 GPRESSURE: 2442200 160.227 104.467 62.0774 58.5382 38.6379 -51.8834 122.657 -7.55119 136.044 PRESSAVG: 2442200 53.876 36.2791 33.7325 36.279 -37.2598 47.3213 33.7325 47.3212 0.447602 GPRESSAVG: 2442200 51.1488 38.2753 32.6453 36.0894 -36.1819 47.3025 35.6352 47.27 1.9711 TIMING: 2442200 CPU: 7077.38, 0.00289033/step Wall: 7077.38, 0.00289033/step, 2.05358 hours remaining, 208.531250 MB of memory in use. ENERGY: 2442200 793.3490 2066.7114 1959.2424 116.7980 -206983.1364 18101.7283 0.0000 0.0000 34133.2636 -149812.0437 298.0943 -183945.3073 -149718.0831 298.5169 79.7316 111.6363 556003.9404 5.6880 5.6460 PRESSURE: 2442400 -160.703 -101.479 63.6497 -101.479 -81.6545 38.7812 63.649 38.7801 35.6926 GPRESSURE: 2442400 -85.7178 -45.2722 -47.478 -116.533 -44.637 -6.73844 118.727 90.9182 25.4944 PRESSAVG: 2442400 -19.9169 6.4997 -15.1036 6.49968 63.9564 -14.3136 -15.1036 -14.3136 -44.288 GPRESSAVG: 2442400 -18.1187 4.13153 -14.2513 7.24838 62.8103 -14.0239 -14.9719 -13.2051 -44.9577 TIMING: 2442400 CPU: 7077.96, 0.00286685/step Wall: 7077.96, 0.00286685/step, 2.03674 hours remaining, 208.531250 MB of memory in use. ENERGY: 2442400 718.4382 2082.8094 1949.3016 111.3277 -206616.7425 17750.7235 0.0000 0.0000 34273.0160 -149731.1261 299.3148 -184004.1421 -149627.7359 297.9428 -68.8884 -34.9535 555591.7281 -0.0828 -0.0887 PRESSURE: 2442600 -462.305 57.617 -3.30703 57.6177 126.936 38.9508 -3.30753 38.9511 6.54858 GPRESSURE: 2442600 -430.3 -59.9487 -50.225 101.722 136.682 24.4823 107.372 128.646 66.0622 PRESSAVG: 2442600 -41.7299 18.5119 -11.0504 18.512 35.8738 -8.64996 -11.0503 -8.64995 47.2611 GPRESSAVG: 2442600 -40.8648 20.2034 -11.6486 17.1243 35.2363 -7.95555 -10.7589 -10.5164 46.5478 TIMING: 2442600 CPU: 7078.53, 0.00288427/step Wall: 7078.53, 0.00288427/step, 2.04895 hours remaining, 208.531250 MB of memory in use. ENERGY: 2442600 760.1685 2088.8073 1955.0675 119.7220 -206435.6700 17776.1144 0.0000 0.0000 34024.2413 -149711.5490 297.1422 -183735.7903 -149613.7542 298.3339 -109.6066 -75.8519 556004.1112 13.8017 13.6398 PRESSURE: 2442800 216.703 -73.5908 77.4682 -73.5907 61.6495 91.1721 77.4691 91.1714 27.8416 GPRESSURE: 2442800 301.061 -148.715 166.814 -47.0449 79.9239 133.568 35.5474 84.6015 18.9896 PRESSAVG: 2442800 -55.2525 -53.246 -19.0347 -53.2459 63.8786 58.7301 -19.0346 58.7302 7.30591 GPRESSAVG: 2442800 -56.296 -54.9692 -16.7669 -51.9994 63.9384 57.0748 -20.3913 60.4382 7.90732 TIMING: 2442800 CPU: 7079.11, 0.00287259/step Wall: 7079.11, 0.00287259/step, 2.0405 hours remaining, 208.531250 MB of memory in use. ENERGY: 2442800 738.7172 2137.1126 1951.6807 110.1821 -206295.5579 17797.0809 0.0000 0.0000 34193.3564 -149367.4280 298.6191 -183560.7844 -149277.0779 298.6991 102.0649 133.3248 556421.6828 5.3107 5.1832 PRESSURE: 2443000 41.9174 -63.7916 126.046 -63.7927 176.04 184.746 126.046 184.745 -83.7165 GPRESSURE: 2443000 80.2002 -108.014 125.848 -1.83155 172.073 159.364 117.513 144.48 -20.4549 PRESSAVG: 2443000 -42.7565 -17.583 13.0241 -17.583 26.4546 47.8343 13.0241 47.8343 7.88626 GPRESSAVG: 2443000 -42.9839 -15.1179 10.6833 -18.1167 27.4146 48.5772 14.7452 46.3007 7.32375 TIMING: 2443000 CPU: 7079.68, 0.0028745/step Wall: 7079.68, 0.0028745/step, 2.04169 hours remaining, 208.601562 MB of memory in use. ENERGY: 2443000 761.2437 2118.6934 1969.3586 133.3911 -206364.7415 17786.6247 0.0000 0.0000 34101.2577 -149494.1723 297.8148 -183595.4299 -149396.9738 299.3474 44.7471 77.2727 555939.3303 -2.8052 -2.7485 PRESSURE: 2443200 -176.182 -102.138 -64.036 -102.137 -42.2834 83.6991 -64.0359 83.6997 -352.142 GPRESSURE: 2443200 -136.191 -96.0377 -70.1092 -24.083 -31.4444 92.9697 -51.5383 82.7134 -305.262 PRESSAVG: 2443200 -13.6077 29.425 -11.8953 29.425 100.334 47.429 -11.8953 47.4288 -72.3519 GPRESSAVG: 2443200 -12.5688 27.8597 -10.482 30.2029 99.8339 48.0767 -13.2733 47.2432 -72.5988 TIMING: 2443200 CPU: 7080.26, 0.00287107/step Wall: 7080.26, 0.00287107/step, 2.0391 hours remaining, 208.601562 MB of memory in use. ENERGY: 2443200 753.4919 2113.0154 1959.4848 106.3592 -205993.1045 17463.4325 0.0000 0.0000 34086.4632 -149510.8574 297.6856 -183597.3206 -149420.9468 298.6058 -190.2022 -157.6324 556226.3450 4.7916 4.8888 PRESSURE: 2443400 43.5067 -1.21343 -21.8647 -1.21216 -143.567 36.9675 -21.8652 36.9668 -165.605 GPRESSURE: 2443400 46.6595 -69.0316 -2.04246 11.1727 -70.7332 67.0565 -17.4629 82.9736 -134.766 PRESSAVG: 2443400 -15.3694 -30.7891 -38.195 -30.789 -28.9792 34.7483 -38.195 34.7483 26.3669 GPRESSAVG: 2443400 -17.4822 -30.1612 -38.2553 -31.5348 -27.1444 34.9707 -37.0341 35.3232 26.2561 TIMING: 2443400 CPU: 7080.84, 0.00291818/step Wall: 7080.84, 0.00291818/step, 2.0724 hours remaining, 208.601562 MB of memory in use. ENERGY: 2443400 727.4600 2083.2102 1952.5297 121.4764 -206173.7492 17687.7518 0.0000 0.0000 34097.6893 -149503.6318 297.7836 -183601.3212 -149405.4195 298.5843 -88.5550 -52.9466 557169.8429 -5.9939 -6.1235 PRESSURE: 2443600 214.631 -130.71 21.0707 -130.711 72.7406 -203.209 21.0712 -203.209 -110.048 GPRESSURE: 2443600 250.811 -161.17 39.3351 -57.803 156.803 -167.839 48.4166 -237.153 -139.63 PRESSAVG: 2443600 -12.0378 -15.3984 -14.9475 -15.3984 -19.3663 21.1253 -14.9475 21.1254 39.5573 GPRESSAVG: 2443600 -11.0896 -15.7559 -15.2664 -15.2064 -20.1388 20.4448 -17.619 22.1984 39.559 TIMING: 2443600 CPU: 7081.43, 0.00292771/step Wall: 7081.43, 0.00292771/step, 2.079 hours remaining, 208.601562 MB of memory in use. ENERGY: 2443600 760.5850 2108.8383 1953.8335 117.9693 -206454.1694 17902.5623 0.0000 0.0000 34395.2245 -149215.1564 300.3821 -183610.3809 -149125.6328 299.4350 59.1078 89.3283 556492.5726 2.7177 2.7769 PRESSURE: 2443800 360.208 -67.1433 -52.5412 -67.1429 -9.38998 -221.329 -52.5416 -221.329 108.654 GPRESSURE: 2443800 383.231 -49.2898 18.115 -91.6328 52.5175 -150.692 -76.9175 -258.202 114.413 PRESSAVG: 2443800 50.6384 -38.157 -3.15955 -38.157 -36.2871 -3.29298 -3.15964 -3.29286 5.86253 GPRESSAVG: 2443800 50.8266 -38.427 -3.62854 -37.794 -38.3625 -3.76984 -0.721179 -4.74997 6.54902 TIMING: 2443800 CPU: 7082.01, 0.00289608/step Wall: 7082.01, 0.00289608/step, 2.05638 hours remaining, 208.601562 MB of memory in use. ENERGY: 2443800 744.8723 2057.2859 1919.5001 120.1627 -206191.5009 17999.1567 0.0000 0.0000 34064.7188 -149285.8043 297.4957 -183350.5231 -149192.3571 299.1277 153.1574 183.3873 556774.3089 6.7379 6.3377 PRESSURE: 2444000 -237.195 -88.539 137.241 -88.5397 -233.848 30.5869 137.241 30.5853 -104.677 GPRESSURE: 2444000 -192.799 -182.632 153.556 11.3998 -240.199 87.4633 71.6965 63.1787 -52.8981 PRESSAVG: 2444000 -2.00153 -71.5015 33.6021 -71.5015 29.3607 -11.9442 33.6021 -11.9441 -43.0796 GPRESSAVG: 2444000 -2.46603 -71.0092 32.9353 -71.3983 29.3037 -11.8128 34.6064 -13.2707 -42.7828 TIMING: 2444000 CPU: 7082.58, 0.00287535/step Wall: 7082.58, 0.00287535/step, 2.0415 hours remaining, 208.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2444000 753.2416 2047.7894 1947.2542 106.0211 -205661.2415 17397.9595 0.0000 0.0000 34094.0929 -149314.8828 297.7522 -183408.9757 -149219.3480 298.2256 -191.9067 -161.9655 557156.1380 -5.2401 -5.3150 PRESSURE: 2444200 -433.966 123.835 -10.7437 123.834 -103.489 -17.4181 -10.7446 -17.4186 188.229 GPRESSURE: 2444200 -401.583 87.1331 -8.93916 126.301 -63.5269 -74.3576 24.0746 -10.9759 223.792 PRESSAVG: 2444200 1.01929 -14.1066 6.81537 -14.1066 21.2744 34.279 6.81531 34.279 19.7419 GPRESSAVG: 2444200 1.37696 -13.9857 7.37513 -13.8058 21.5411 32.9514 5.35525 35.425 18.6846 TIMING: 2444200 CPU: 7083.16, 0.00287698/step Wall: 7083.16, 0.00287698/step, 2.04249 hours remaining, 208.601562 MB of memory in use. ENERGY: 2444200 780.1431 2056.0133 1973.6518 113.4229 -206215.8219 17828.6335 0.0000 0.0000 34228.8702 -149235.0871 298.9292 -183463.9573 -149140.1924 298.6879 -116.4088 -80.4393 558173.9878 14.0119 13.8676 LDB: ============= START OF LOAD BALANCING ============== 7086.54 LDB: ============== END OF LOAD BALANCING =============== 7086.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7086.54 LDB: ============= START OF LOAD BALANCING ============== 7086.83 LDB: Largest compute 4820 load 0.024810 is 21.0% of average load 0.117883 LDB: Average compute 0.001758 is 1.5% of average load 0.117883 LDB: TIME 7086.83 LOAD: AVG 0.117883 MAX 0.176131 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.613 MB LDB: TIME 7086.83 LOAD: AVG 0.117883 MAX 0.176131 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.855 MB LDB: TIME 7086.83 LOAD: AVG 0.117883 MAX 0.176131 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7086.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7086.84 PRESSURE: 2444400 32.9748 -44.528 44.5244 -44.5271 -199.888 45.9561 44.5236 45.9553 -10.9449 GPRESSURE: 2444400 56.6891 -47.3316 76.7074 -48.638 -176.991 78.519 30.2486 110.787 43.8695 PRESSAVG: 2444400 58.8091 -27.697 30.3919 -27.6971 -3.03892 14.3469 30.392 14.3468 -39.0977 GPRESSAVG: 2444400 58.2491 -27.6749 33.2333 -27.7897 -3.13487 16.2929 27.636 12.6256 -38.5631 TIMING: 2444400 CPU: 7083.74, 0.00293341/step Wall: 7083.74, 0.00293341/step, 2.0824 hours remaining, 209.675781 MB of memory in use. ENERGY: 2444400 730.1054 2069.5710 1968.3460 100.8719 -205903.9146 17580.7712 0.0000 0.0000 34122.9703 -149331.2787 298.0044 -183454.2490 -149237.8651 298.6529 -59.2860 -25.4776 557016.0534 5.5575 5.5170 PRESSURE: 2444600 -120.214 -27.7786 -118.965 -27.7782 -56.608 -114.635 -118.966 -114.635 181.253 GPRESSURE: 2444600 -74.2745 -88.3813 -63.5099 -8.31171 5.22121 -119.969 -119.87 -181.801 158.59 PRESSAVG: 2444600 -38.2822 -42.1721 -0.784125 -42.1721 39.6399 34.8243 -0.78405 34.8244 5.93025 GPRESSAVG: 2444600 -36.2889 -43.08 -4.11885 -41.6365 39.6463 32.6856 1.03492 36.2752 4.42435 TIMING: 2444600 CPU: 7084.32, 0.0028751/step Wall: 7084.32, 0.0028751/step, 2.04084 hours remaining, 209.906250 MB of memory in use. ENERGY: 2444600 767.6885 2076.9246 1953.6428 109.0882 -206136.6401 17764.6833 0.0000 0.0000 34107.8054 -149356.8072 297.8719 -183464.6126 -149261.2531 298.8316 1.4769 29.8455 557160.3556 2.4293 2.5939 PRESSURE: 2444800 180.24 -21.8615 -89.4465 -21.8601 155.783 -95.3252 -89.4465 -95.3252 -30.7649 GPRESSURE: 2444800 221.318 -24.9378 -114.46 -48.877 160.069 -124.703 -169.335 -92.5063 27.7214 PRESSAVG: 2444800 -22.2071 19.7256 -14.2948 19.7257 -15.37 9.80628 -14.2949 9.80619 26.1911 GPRESSAVG: 2444800 -22.9145 19.0549 -15.6195 17.1262 -15.1746 9.15222 -11.3096 9.65457 26.599 TIMING: 2444800 CPU: 7084.89, 0.00288743/step Wall: 7084.89, 0.00288743/step, 2.04944 hours remaining, 209.906250 MB of memory in use. ENERGY: 2444800 745.3342 2086.6045 1951.8461 112.8255 -205812.1121 17806.0100 0.0000 0.0000 33904.8015 -149204.6902 296.0991 -183109.4918 -149112.8429 298.6811 101.7527 136.3693 558156.1943 -3.7953 -3.8301 PRESSURE: 2445000 38.4142 -119.989 54.2033 -119.989 168.439 154.884 54.2026 154.883 12.1174 GPRESSURE: 2445000 84.5083 -104.955 24.1135 -113.173 164.608 143.549 -26.1715 154.77 54.5566 PRESSAVG: 2445000 -23.5309 -24.6104 -50.9623 -24.6105 51.9154 -5.02804 -50.9622 -5.02805 -34.5259 GPRESSAVG: 2445000 -22.2482 -24.1335 -49.1932 -23.4809 49.9963 -2.49446 -53.3613 -4.86922 -34.7582 TIMING: 2445000 CPU: 7085.47, 0.00287137/step Wall: 7085.47, 0.00287137/step, 2.03787 hours remaining, 209.906250 MB of memory in use. ENERGY: 2445000 731.9633 2045.0282 1949.9436 107.6240 -206572.7271 18060.2895 0.0000 0.0000 34251.0385 -149426.8400 299.1228 -183677.8785 -149326.6398 298.9673 72.9901 101.2244 556760.4799 -2.0471 -2.3367 PRESSURE: 2445200 -200.714 85.169 1.18392 85.1693 -6.88707 43.678 1.18328 43.6768 -70.1226 GPRESSURE: 2445200 -216.836 53.4584 -22.8839 83.2628 33.2253 137.669 49.4328 -25.5249 -5.88389 PRESSAVG: 2445200 -21.0956 -8.50239 -17.6164 -8.50238 38.2542 -9.29076 -17.6165 -9.29076 -16.9767 GPRESSAVG: 2445200 -23.0719 -7.77436 -17.1164 -8.85124 39.0643 -9.69109 -17.4334 -10.5902 -16.01 TIMING: 2445200 CPU: 7086.04, 0.00286553/step Wall: 7086.04, 0.00286553/step, 2.03357 hours remaining, 209.906250 MB of memory in use. ENERGY: 2445200 747.6029 2107.5611 1953.7428 110.1232 -206239.4378 17604.3842 0.0000 0.0000 34350.5704 -149365.4531 299.9921 -183716.0235 -149270.5104 299.3978 -92.5747 -63.1648 556439.3230 0.0606 -0.0059 PRESSURE: 2445400 -73.6846 -7.29016 42.9393 -7.28985 136.654 10.5965 42.9395 10.5977 -2.16816 GPRESSURE: 2445400 -26.3084 -31.4507 43.7548 -100.589 161.91 105.501 27.033 -112.946 26.4734 PRESSAVG: 2445400 27.1741 -4.78514 -42.158 -4.78516 -17.1585 27.1451 -42.158 27.1451 -9.02752 GPRESSAVG: 2445400 27.3163 -4.05942 -42.8857 -4.3075 -16.4681 27.0929 -40.5385 28.073 -9.98957 TIMING: 2445400 CPU: 7086.62, 0.0028861/step Wall: 7086.62, 0.0028861/step, 2.04801 hours remaining, 209.906250 MB of memory in use. ENERGY: 2445400 744.5483 2046.2900 1975.8347 117.3417 -206216.1338 17747.1453 0.0000 0.0000 34098.7277 -149486.2461 297.7927 -183584.9738 -149389.7143 299.2827 20.2671 54.0251 556965.7776 0.3293 0.2862 PRESSURE: 2445600 -228.496 -13.2463 -79.0778 -13.2464 -246.916 -149.29 -79.0774 -149.289 -32.5494 GPRESSURE: 2445600 -161.831 34.2766 -104.236 -33.6004 -244.32 -146.266 -64.7651 -98.2613 0.979158 PRESSAVG: 2445600 23.5441 18.38 -86.5525 18.38 -16.0369 -18.0214 -86.5525 -18.0214 -47.746 GPRESSAVG: 2445600 23.3426 16.4163 -84.9976 18.536 -15.9034 -18.1113 -88.1452 -17.5197 -47.7762 TIMING: 2445600 CPU: 7087.2, 0.00290395/step Wall: 7087.2, 0.00290395/step, 2.06052 hours remaining, 209.906250 MB of memory in use. ENERGY: 2445600 747.6853 2095.2804 1954.8981 113.3132 -206106.7724 17610.3791 0.0000 0.0000 34174.9623 -149410.2540 298.4584 -183585.2163 -149317.5961 298.7920 -169.3204 -135.0571 557178.4217 -13.4129 -13.4457 PRESSURE: 2445800 -78.3201 142.219 -47.2584 142.219 -145.717 -5.37228 -47.2584 -5.37216 -112.267 GPRESSURE: 2445800 -12.4046 131.507 -99.2555 167.065 -111.637 -8.45514 11.0408 23.4658 -115.962 PRESSAVG: 2445800 18.0266 -5.37291 -45.4348 -5.37297 35.5145 -57.1225 -45.4349 -57.1223 -6.85513 GPRESSAVG: 2445800 18.3524 -4.54812 -45.5696 -4.60499 34.3322 -55.3701 -46.0944 -57.3437 -6.01222 TIMING: 2445800 CPU: 7087.78, 0.00289933/step Wall: 7087.78, 0.00289933/step, 2.05707 hours remaining, 209.906250 MB of memory in use. ENERGY: 2445800 767.1943 2025.8973 1957.1512 125.9485 -206136.9705 17662.1481 0.0000 0.0000 34324.7250 -149273.9060 299.7664 -183598.6310 -149175.6193 299.4720 -112.1016 -80.0014 557290.9375 15.5620 15.5574 PRESSURE: 2446000 -77.7549 8.80646 -78.6774 8.8055 31.3639 16.7679 -78.6787 16.7684 36.9737 GPRESSURE: 2446000 0.179118 24.9637 7.69698 57.0594 28.3299 -14.7959 -90.8405 -52.8622 66.6733 PRESSAVG: 2446000 71.3845 3.75051 26.6313 3.75056 -7.8842 26.1524 26.6313 26.1525 -14.2762 GPRESSAVG: 2446000 71.1983 4.26293 26.1171 1.29106 -5.70071 23.4344 29.0613 24.5485 -15.5141 TIMING: 2446000 CPU: 7088.35, 0.00287298/step Wall: 7088.35, 0.00287298/step, 2.03822 hours remaining, 209.906250 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: 2446000 784.7888 2082.0210 1937.9970 112.1950 -206480.7468 17989.5306 0.0000 0.0000 34172.1546 -149402.0597 298.4339 -183574.2144 -149303.7839 299.0485 -3.1391 31.7274 556851.2845 16.4080 16.6612 PRESSURE: 2446200 -192.187 -67.053 -162.832 -67.0526 -252.762 -89.1941 -162.832 -89.1941 6.33788 GPRESSURE: 2446200 -147.411 -112.978 -119.102 -28.3508 -228.295 -17.6362 -114.092 -93.825 29.691 PRESSAVG: 2446200 -15.8744 -18.9732 11.3848 -18.9731 -38.6872 -48.803 11.3848 -48.8031 27.601 GPRESSAVG: 2446200 -14.9421 -18.1241 11.6639 -18.7489 -39.5465 -48.9574 9.04025 -45.2221 27.913 TIMING: 2446200 CPU: 7088.93, 0.00290014/step Wall: 7088.93, 0.00290014/step, 2.05733 hours remaining, 209.906250 MB of memory in use. ENERGY: 2446200 761.7557 2073.6897 1969.0005 119.2083 -206271.3068 17791.8302 0.0000 0.0000 34139.8124 -149416.0101 298.1515 -183555.8225 -149317.6583 298.3170 -146.2037 -115.3384 559264.2894 -8.9869 -8.8585 PRESSURE: 2446400 -177.753 -32.7526 -33.9727 -32.7518 -258.296 47.6086 -33.9717 47.6097 135.753 GPRESSURE: 2446400 -182.849 -10.7014 -20.9864 -48.7487 -242.766 -12.1054 -47.4586 51.4111 228.316 PRESSAVG: 2446400 16.6488 -96.9702 15.9106 -96.9701 -73.7253 -19.692 15.9107 -19.6921 73.3737 GPRESSAVG: 2446400 16.635 -98.2189 16.704 -95.1325 -74.1887 -19.9783 17.6174 -19.9999 73.9238 TIMING: 2446400 CPU: 7089.51, 0.00289074/step Wall: 7089.51, 0.00289074/step, 2.0505 hours remaining, 209.906250 MB of memory in use. ENERGY: 2446400 786.6966 2052.3150 1954.9506 112.4455 -206142.4032 17717.4165 0.0000 0.0000 34030.9902 -149487.5888 297.2011 -183518.5790 -149393.9727 298.1130 -100.0988 -65.7664 558064.9237 5.4324 5.4567 PRESSURE: 2446600 -197.975 -4.61975 13.5686 -4.62042 152.576 7.37315 13.5675 7.37198 18.1647 GPRESSURE: 2446600 -109.635 -41.3992 -71.3163 27.8387 151.774 134.394 65.5894 -93.7572 20.8382 PRESSAVG: 2446600 -26.7923 3.61474 24.833 3.61479 8.51993 37.9995 24.8331 37.9995 5.38485 GPRESSAVG: 2446600 -27.1146 4.81391 23.515 2.68045 8.96647 39.6404 23.3278 32.5727 5.49748 TIMING: 2446600 CPU: 7090.09, 0.00291073/step Wall: 7090.09, 0.00291073/step, 2.06452 hours remaining, 209.906250 MB of memory in use. ENERGY: 2446600 721.0219 2079.2387 1927.1894 112.5618 -205959.0160 17542.8414 0.0000 0.0000 34037.5188 -149538.6439 297.2581 -183576.1627 -149440.3134 297.8856 -9.0783 20.9926 556355.4306 -4.2958 -4.2169 PRESSURE: 2446800 -137.469 190.63 -105.235 190.63 -120.511 9.01478 -105.234 9.01527 142.806 GPRESSURE: 2446800 -98.5708 180.771 -183.867 123.55 -90.455 33.7923 -75.0331 -0.0584383 176.763 PRESSAVG: 2446800 -86.1905 60.1852 -63.5517 60.1852 13.134 -7.13939 -63.5517 -7.13924 64.3994 GPRESSAVG: 2446800 -85.4207 58.4095 -63.9597 60.3827 13.266 -7.69484 -62.8334 -4.50061 63.5716 TIMING: 2446800 CPU: 7090.67, 0.00289749/step Wall: 7090.67, 0.00289749/step, 2.05496 hours remaining, 209.906250 MB of memory in use. ENERGY: 2446800 737.2243 2068.7129 1943.6583 119.5844 -206421.9737 17815.2669 0.0000 0.0000 34024.2896 -149713.2372 297.1426 -183737.5268 -149617.2246 297.7849 -38.3913 -4.0875 557335.9526 -2.8857 -2.8610 PRESSURE: 2447000 -23.9969 29.0632 43.0772 29.0628 -80.775 -0.741677 43.0783 -0.741068 107.337 GPRESSURE: 2447000 0.164119 90.4294 -8.77678 -28.5974 -8.11808 33.6208 48.3879 -58.1751 108.699 PRESSAVG: 2447000 -23.9802 12.3317 9.54278 12.3316 -3.39251 -17.4136 9.54278 -17.4136 24.4117 GPRESSAVG: 2447000 -23.9543 12.7134 10.2451 13.3195 -3.90525 -16.0045 9.83005 -16.8115 24.9134 TIMING: 2447000 CPU: 7091.25, 0.00289207/step Wall: 7091.25, 0.00289207/step, 2.05096 hours remaining, 209.906250 MB of memory in use. ENERGY: 2447000 737.7912 2141.0364 1928.2134 112.3269 -206655.6541 17958.7108 0.0000 0.0000 34106.7018 -149670.8735 297.8623 -183777.5753 -149580.9695 297.6448 0.8550 33.5818 558275.7165 -0.9870 -0.9820 PRESSURE: 2447200 -26.4682 37.5846 -54.5057 37.5852 -166.494 50.5745 -54.5058 50.5744 -59.5709 GPRESSURE: 2447200 14.2153 19.2423 -39.2165 99.7811 -106.461 66.9133 -50.874 18.3522 -54.8631 PRESSAVG: 2447200 17.7263 44.3165 -91.8517 44.3165 -29.7665 26.7146 -91.8517 26.7148 20.2881 GPRESSAVG: 2447200 17.7122 47.344 -93.0899 43.6416 -29.849 25.1933 -91.092 26.093 20.3269 TIMING: 2447200 CPU: 7091.83, 0.00289922/step Wall: 7091.83, 0.00289922/step, 2.05587 hours remaining, 209.906250 MB of memory in use. ENERGY: 2447200 711.2393 2072.3876 1939.7783 122.8279 -206727.1209 17882.9571 0.0000 0.0000 34194.0522 -149803.8785 298.6252 -183997.9307 -149705.1361 298.1777 -84.1778 -49.0362 556528.0361 2.7493 2.7300 PRESSURE: 2447400 11.3696 4.04421 -1.76376 4.04357 -46.0278 -64.0761 -1.76382 -64.0774 -29.4349 GPRESSURE: 2447400 24.7739 -9.06501 40.325 -18.2028 -82.2683 -58.1344 -68.195 -102.815 91.578 PRESSAVG: 2447400 -4.31717 -23.8146 -26.6607 -23.8144 -17.8455 17.2957 -26.6608 17.2957 -1.81897 GPRESSAVG: 2447400 -5.22929 -26.6117 -22.9413 -20.9307 -16.8323 15.5884 -28.9334 20.1785 -1.4169 TIMING: 2447400 CPU: 7092.41, 0.00288545/step Wall: 7092.41, 0.00288545/step, 2.04594 hours remaining, 209.906250 MB of memory in use. ENERGY: 2447400 727.7974 2083.1043 1943.5047 105.9180 -206789.5146 18073.7580 0.0000 0.0000 34254.0559 -149601.3763 299.1492 -183855.4322 -149500.7788 298.1514 -21.3644 11.3612 556780.8473 -7.9939 -7.8262 PRESSURE: 2447600 -183.639 -43.327 -89.0036 -43.3257 -66.4042 57.5564 -89.0033 57.5567 -2.62625 GPRESSURE: 2447600 -172.175 -38.1389 -98.6099 1.51448 -65.6773 62.1574 -86.0561 119.035 86.3229 PRESSAVG: 2447600 -8.66898 13.0849 -41.399 13.0848 34.9003 8.02692 -41.399 8.02689 -4.98103 GPRESSAVG: 2447600 -7.56722 12.7208 -42.6795 12.2762 35.1763 11.3318 -41.2893 5.64602 -6.277 TIMING: 2447600 CPU: 7092.99, 0.00288307/step Wall: 7092.99, 0.00288307/step, 2.04409 hours remaining, 209.976562 MB of memory in use. ENERGY: 2447600 759.3247 2143.9423 1947.6310 105.5574 -206344.3152 17643.5800 0.0000 0.0000 34141.5139 -149602.7658 298.1663 -183744.2798 -149509.1357 299.0265 -84.2231 -50.5099 556239.0831 7.0834 7.1107 PRESSURE: 2447800 -110.791 -54.6267 86.4258 -54.6274 -38.8398 86.4981 86.4256 86.4973 -140.636 GPRESSURE: 2447800 -96.2652 -31.2114 85.2405 -36.0547 27.5341 80.089 84.4953 83.2695 -132.671 PRESSAVG: 2447800 -54.4684 -27.0599 -15.637 -27.06 40.9826 10.6582 -15.637 10.6582 18.7547 GPRESSAVG: 2447800 -54.2445 -23.4421 -16.7393 -28.5318 41.2269 9.09713 -14.97 12.0011 18.113 TIMING: 2447800 CPU: 7093.56, 0.0028652/step Wall: 7093.56, 0.0028652/step, 2.03127 hours remaining, 209.976562 MB of memory in use. ENERGY: 2447800 760.8508 2049.8998 1960.0623 102.5502 -206122.2699 17591.5204 0.0000 0.0000 34167.5056 -149489.8807 298.3933 -183657.3863 -149397.2877 297.8240 -96.7555 -67.1341 555949.0261 1.7563 1.6984 PRESSURE: 2448000 83.7104 -79.3962 19.4119 -79.3978 -21.6308 -71.33 19.4117 -71.3301 122.862 GPRESSURE: 2448000 84.8775 -68.6545 -0.959032 -154.4 53.5811 -73.9709 36.7033 -38.8478 153.856 PRESSAVG: 2448000 33.7451 -27.7323 -12.6002 -27.7323 15.0337 2.61263 -12.6002 2.6126 -72.4241 GPRESSAVG: 2448000 33.2137 -28.344 -13.0677 -29.4862 14.2778 2.54593 -12.2357 0.873431 -71.1514 TIMING: 2448000 CPU: 7094.13, 0.00287212/step Wall: 7094.13, 0.00287212/step, 2.03601 hours remaining, 209.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2448000 765.8610 2027.0009 1956.2569 106.4277 -206737.3609 18020.4784 0.0000 0.0000 34279.7038 -149581.6322 299.3732 -183861.3360 -149483.6252 298.5270 61.6471 97.4381 556402.6822 -7.8818 -7.8866 PRESSURE: 2448200 135.242 44.5607 67.4256 44.5605 130.223 102.125 67.4246 102.124 -215.968 GPRESSURE: 2448200 99.6061 101.35 -3.89192 1.72905 171.292 169.402 52.9193 66.3713 -121.875 PRESSAVG: 2448200 -35.3079 -3.17117 -21.2814 -3.17128 -36.0058 -22.5483 -21.2815 -22.5483 63.7182 GPRESSAVG: 2448200 -35.7324 -3.81678 -20.1226 -2.78016 -35.3334 -22.3054 -21.0162 -20.779 63.5312 TIMING: 2448200 CPU: 7094.7, 0.00285349/step Wall: 7094.7, 0.00285349/step, 2.02265 hours remaining, 209.976562 MB of memory in use. ENERGY: 2448200 739.5075 2076.3227 1939.1615 119.6029 -206370.8277 17743.8826 0.0000 0.0000 34221.4110 -149530.9394 298.8641 -183752.3504 -149430.7217 298.7817 16.4991 49.6742 555131.8355 -2.5319 -2.5115 LDB: ============= START OF LOAD BALANCING ============== 7098.09 LDB: ============== END OF LOAD BALANCING =============== 7098.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7098.09 LDB: ============= START OF LOAD BALANCING ============== 7098.37 LDB: Largest compute 4800 load 0.022723 is 19.3% of average load 0.117934 LDB: Average compute 0.001750 is 1.5% of average load 0.117934 LDB: TIME 7098.38 LOAD: AVG 0.117934 MAX 0.17852 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.797 MB LDB: TIME 7098.38 LOAD: AVG 0.117934 MAX 0.17852 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.797 MB LDB: TIME 7098.38 LOAD: AVG 0.117934 MAX 0.17852 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.797 MB LDB: ============== END OF LOAD BALANCING =============== 7098.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7098.38 PRESSURE: 2448400 164.194 -2.81588 -128.617 -2.81605 114.559 34.412 -128.618 34.4124 42.2228 GPRESSURE: 2448400 203.186 -7.97548 -107.012 -78.8345 120.12 -50.1308 -185.023 90.6962 89.876 PRESSAVG: 2448400 -7.32297 26.555 -3.72402 26.5548 -19.8438 -12.9114 -3.72394 -12.9114 -4.80011 GPRESSAVG: 2448400 -6.56519 25.8163 -5.16135 26.059 -20.1725 -13.2753 -4.16148 -13.3553 -5.34393 TIMING: 2448400 CPU: 7095.29, 0.00291418/step Wall: 7095.29, 0.00291418/step, 2.06551 hours remaining, 209.675781 MB of memory in use. ENERGY: 2448400 701.5078 2103.4107 1955.5768 113.1479 -206302.7480 17788.6945 0.0000 0.0000 34036.5624 -149603.8481 297.2498 -183640.4104 -149514.3420 297.6399 106.9920 137.7274 555156.9183 -10.6556 -10.6939 PRESSURE: 2448600 76.9963 31.0415 58.1039 31.0424 100.367 99.7716 58.1037 99.7704 153.532 GPRESSURE: 2448600 93.8149 8.65967 78.7643 11.7155 163.67 31.3979 68.2462 184.218 164.252 PRESSAVG: 2448600 0.12953 -41.3565 -22.2401 -41.3564 -18.0271 10.5221 -22.2401 10.5221 23.5388 GPRESSAVG: 2448600 -1.23906 -42.9321 -22.3426 -40.4003 -17.4872 12.4255 -20.3854 9.54355 24.0304 TIMING: 2448600 CPU: 7095.86, 0.0028638/step Wall: 7095.86, 0.0028638/step, 2.02964 hours remaining, 209.878906 MB of memory in use. ENERGY: 2448600 706.8960 2013.8252 1926.5051 113.1564 -206473.8444 17979.1794 0.0000 0.0000 34443.3277 -149290.9547 300.8021 -183734.2824 -149187.8642 298.6505 110.2984 140.5791 557228.7515 1.8804 1.7680 PRESSURE: 2448800 -268.348 79.0035 31.8921 79.0028 -245.258 -265.654 31.8917 -265.655 -71.5102 GPRESSURE: 2448800 -183.572 86.0722 16.561 61.816 -195.35 -263.911 22.4851 -240.267 -114.294 PRESSAVG: 2448800 -5.93774 0.642327 -48.2346 0.64226 -23.7878 -42.9406 -48.2346 -42.9405 44.2485 GPRESSAVG: 2448800 -4.12534 0.621108 -47.1653 3.11274 -25.4616 -44.0569 -49.5911 -43.458 44.0553 TIMING: 2448800 CPU: 7096.43, 0.00287325/step Wall: 7096.43, 0.00287325/step, 2.03617 hours remaining, 209.878906 MB of memory in use. ENERGY: 2448800 742.9970 2022.8220 1943.8671 107.9595 -205979.6652 17459.6708 0.0000 0.0000 34262.3314 -149440.0173 299.2215 -183702.3488 -149341.4285 298.4084 -195.0386 -164.4054 557218.3183 4.8410 4.8228 PRESSURE: 2449000 -313.728 -129.677 -98.6259 -129.677 -56.6161 113.138 -98.6264 113.137 92.091 GPRESSURE: 2449000 -245.878 -117.556 -114.719 -159.133 -26.4405 168.951 -48.9423 -23.841 97.7234 PRESSAVG: 2449000 -54.6671 -2.38302 -33.9667 -2.38307 9.03394 23.87 -33.9668 23.87 21.3416 GPRESSAVG: 2449000 -55.8432 -2.89315 -32.9119 -2.21512 9.37423 23.3865 -33.6685 26.5606 22.2992 TIMING: 2449000 CPU: 7097.01, 0.00287328/step Wall: 7097.01, 0.00287328/step, 2.03604 hours remaining, 209.878906 MB of memory in use. ENERGY: 2449000 739.5738 2039.4251 1951.6172 105.7016 -206340.6256 17655.1721 0.0000 0.0000 34420.2624 -149428.8736 300.6007 -183849.1359 -149334.3556 298.6023 -92.7510 -58.1984 557054.8650 -8.0972 -8.0566 PRESSURE: 2449200 -227.335 271.679 -21.3611 271.679 -180.988 46.039 -21.3598 46.0385 153.12 GPRESSURE: 2449200 -224.69 353.163 -31.205 244.821 -111.386 -4.29019 -6.93867 45.009 165.828 PRESSAVG: 2449200 -20.0051 7.89717 -2.1702 7.89707 -48.4001 17.2065 -2.17013 17.2065 80.0178 GPRESSAVG: 2449200 -18.4759 8.79013 -3.00234 7.57383 -49.4608 18.9682 -2.07374 12.485 79.69 TIMING: 2449200 CPU: 7097.59, 0.00288088/step Wall: 7097.59, 0.00288088/step, 2.04126 hours remaining, 209.878906 MB of memory in use. ENERGY: 2449200 749.4686 2102.1823 1964.2111 111.8188 -206147.6100 17603.3167 0.0000 0.0000 34076.0090 -149540.6036 297.5943 -183616.6125 -149443.5335 299.1072 -85.0678 -56.7493 556715.7141 3.8709 3.9178 PRESSURE: 2449400 -276.621 44.1731 -21.3547 44.1726 -145.494 -266.09 -21.3539 -266.091 -300.281 GPRESSURE: 2449400 -261.243 87.789 18.7984 101.132 -88.6391 -273.806 9.49181 -270.941 -282.489 PRESSAVG: 2449400 43.9789 5.55341 -56.7748 5.55347 -29.9209 -2.77452 -56.7749 -2.7746 -23.9695 GPRESSAVG: 2449400 42.358 6.42654 -59.0969 3.58432 -28.1695 -5.20526 -55.8917 -1.39497 -24.3295 TIMING: 2449400 CPU: 7098.16, 0.00287658/step Wall: 7098.16, 0.00287658/step, 2.03806 hours remaining, 209.878906 MB of memory in use. ENERGY: 2449400 754.1636 2112.5911 1958.3979 108.7954 -205750.9782 17364.2272 0.0000 0.0000 34112.8012 -149340.0016 297.9156 -183452.8028 -149246.0440 299.2221 -240.7989 -210.7903 558129.0105 -3.3038 -3.3803 PRESSURE: 2449600 -41.708 96.066 -33.0739 96.0667 42.0304 -42.109 -33.0742 -42.1092 156.41 GPRESSURE: 2449600 21.5618 153.586 81.2266 -32.9888 13.6451 -46.3254 -25.4986 -68.4909 212.713 PRESSAVG: 2449600 30.3813 30.8088 -58.8204 30.8088 3.05871 -30.883 -58.8204 -30.883 -22.3213 GPRESSAVG: 2449600 30.0486 30.9689 -56.7316 32.1907 2.65005 -30.4272 -59.6853 -29.3792 -21.6448 TIMING: 2449600 CPU: 7098.74, 0.00288377/step Wall: 7098.74, 0.00288377/step, 2.04299 hours remaining, 209.941406 MB of memory in use. ENERGY: 2449600 745.7500 2114.4577 1926.2007 116.5014 -206571.8553 18079.5623 0.0000 0.0000 34197.2793 -149392.1040 298.6533 -183589.3833 -149294.6958 298.6909 52.2443 82.6401 558700.0260 3.7062 3.6846 PRESSURE: 2449800 -286.21 98.4137 -68.1162 98.4122 -25.8164 -34.0127 -68.116 -34.0127 -28.1215 GPRESSURE: 2449800 -250.176 -18.5746 -112.831 149.273 52.4184 -124.446 -31.4373 48.0615 -25.3776 PRESSAVG: 2449800 -34.3166 -15.2186 -77.123 -15.2186 34.8232 -14.893 -77.1231 -14.893 -23.8021 GPRESSAVG: 2449800 -33.3139 -16.4385 -79.0175 -15.4955 35.9151 -13.1711 -73.7006 -15.4353 -25.3109 TIMING: 2449800 CPU: 7099.32, 0.00290152/step Wall: 7099.32, 0.00290152/step, 2.0554 hours remaining, 209.941406 MB of memory in use. ENERGY: 2449800 711.1215 2049.5584 1946.7300 121.3850 -206081.6794 17688.2057 0.0000 0.0000 34251.0733 -149313.6054 299.1231 -183564.6788 -149217.3752 299.0568 -113.3827 -74.3784 558621.7535 -7.7651 -7.5699 PRESSURE: 2450000 15.786 -59.6629 161.117 -59.6632 52.547 140.235 161.117 140.234 209.553 GPRESSURE: 2450000 17.8336 -7.69047 236.698 -94.8722 80.1121 125.035 55.6361 144.52 275.998 PRESSAVG: 2450000 -26.6148 -2.67914 -11.1587 -2.67909 9.05041 9.54061 -11.1588 9.54072 42.6139 GPRESSAVG: 2450000 -28.0868 -1.95415 -10.4025 -3.31244 9.04609 6.01183 -15.0192 10.9549 43.7906 TIMING: 2450000 CPU: 7099.9, 0.00288986/step Wall: 7099.9, 0.00288986/step, 2.04698 hours remaining, 209.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2450000 753.1387 2061.4982 1960.5605 95.4426 -206292.8869 17983.1635 0.0000 0.0000 34198.0446 -149241.0388 298.6600 -183439.0834 -149157.6197 299.1998 92.6286 124.6478 556960.8663 8.3498 8.2500 PRESSURE: 2450200 -28.4827 -67.4599 60.2269 -67.4587 -75.1727 -38.9985 60.2261 -38.9989 -251.541 GPRESSURE: 2450200 -12.6058 -150.737 38.4724 -39.0042 -2.00265 -61.8045 151.245 -37.6423 -247.78 PRESSAVG: 2450200 -40.5136 -10.5924 20.4596 -10.5923 70.1808 36.7009 20.4597 36.7009 -6.99902 GPRESSAVG: 2450200 -39.2172 -11.137 21.2295 -10.7188 70.147 39.5548 21.7466 37.8386 -8.40309 TIMING: 2450200 CPU: 7100.47, 0.00286571/step Wall: 7100.47, 0.00286571/step, 2.02972 hours remaining, 209.941406 MB of memory in use. ENERGY: 2450200 758.8892 2113.1464 1944.8474 110.1254 -206102.5621 17764.7047 0.0000 0.0000 34312.5770 -149098.2720 299.6603 -183410.8490 -149006.6129 299.9406 -118.3987 -87.4630 557918.0280 7.5561 7.5089 PRESSURE: 2450400 -93.7493 -16.6206 91.0785 -16.6221 -208.019 -8.70585 91.0783 -8.70579 143.488 GPRESSURE: 2450400 -66.7249 -41.5781 78.3354 -12.0724 -186.102 14.4158 62.933 -11.1473 182.434 PRESSAVG: 2450400 -54.1806 -23.8669 14.4331 -23.867 79.1306 -43.133 14.4332 -43.1331 -21.5428 GPRESSAVG: 2450400 -55.0807 -23.1879 15.7309 -23.9423 78.832 -43.7728 13.3087 -44.9217 -20.6324 TIMING: 2450400 CPU: 7101.05, 0.00290004/step Wall: 7101.05, 0.00290004/step, 2.05387 hours remaining, 209.941406 MB of memory in use. ENERGY: 2450400 744.8832 2100.5924 1966.8037 100.8582 -206079.6363 17639.1780 0.0000 0.0000 34388.2327 -149139.0882 300.3210 -183527.3209 -149039.9690 299.2394 -52.7600 -23.4642 557328.7998 1.1357 1.0396 PRESSURE: 2450600 195.578 200.567 6.76966 200.568 186.035 128.655 6.76926 128.656 3.34068 GPRESSURE: 2450600 146.654 185.021 5.31285 276.633 239.651 179.678 15.3574 72.5803 101.178 PRESSAVG: 2450600 -10.5336 28.2517 17.5334 28.2516 -54.8973 28.6561 17.5334 28.6561 58.0052 GPRESSAVG: 2450600 -10.7306 25.7006 17.2818 29.9641 -54.0088 31.4797 18.9211 26.9488 58.1583 TIMING: 2450600 CPU: 7101.62, 0.00287936/step Wall: 7101.62, 0.00287936/step, 2.03907 hours remaining, 209.941406 MB of memory in use. ENERGY: 2450600 720.6307 2059.8109 1960.5916 126.9555 -206505.5128 18050.8059 0.0000 0.0000 34280.7307 -149305.9876 299.3821 -183586.7183 -149213.0044 299.4542 128.3179 162.4941 557789.2104 -2.4752 -2.1937 PRESSURE: 2450800 135.387 -14.8913 104.696 -14.892 -430.288 -55.42 104.694 -55.4197 162.603 GPRESSURE: 2450800 101.667 50.8596 17.295 -12.0037 -328.371 -9.29548 76.9653 -100.674 183.232 PRESSAVG: 2450800 31.0635 44.1751 40.1391 44.1751 9.43706 16.692 40.139 16.692 34.0288 GPRESSAVG: 2450800 30.4719 45.6863 41.0425 42.7596 8.36578 15.2139 37.1496 17.7223 35.364 TIMING: 2450800 CPU: 7102.2, 0.0028672/step Wall: 7102.2, 0.0028672/step, 2.0303 hours remaining, 209.941406 MB of memory in use. ENERGY: 2450800 716.8436 2034.1126 1941.5632 103.4740 -206240.8219 17870.7075 0.0000 0.0000 34161.3846 -149412.7364 298.3399 -183574.1210 -149312.5178 298.2378 -44.0994 -14.4907 558199.0321 24.8431 24.7339 PRESSURE: 2451000 -40.485 14.0505 76.2369 14.0506 -77.2472 -204.632 76.2366 -204.631 -80.9895 GPRESSURE: 2451000 52.8627 -65.3094 37.8741 62.477 -75.7555 -201.589 188.15 -257.295 -81.6363 PRESSAVG: 2451000 -33.0521 24.2556 -19.8137 24.2557 -0.541876 14.7892 -19.8137 14.7891 19.6615 GPRESSAVG: 2451000 -32.12 21.9617 -21.5771 25.5851 -0.692576 12.6992 -16.4018 16.5592 18.9938 TIMING: 2451000 CPU: 7102.77, 0.00287368/step Wall: 7102.77, 0.00287368/step, 2.03473 hours remaining, 209.941406 MB of memory in use. ENERGY: 2451000 736.6953 2057.9320 1969.7265 114.4827 -206043.6943 17708.6570 0.0000 0.0000 34054.0073 -149402.1935 297.4021 -183456.2008 -149302.9125 298.7305 -66.2406 -34.8430 557665.0538 -4.6442 -4.6063 PRESSURE: 2451200 -15.9626 97.8998 54.565 97.9 -170.269 -81.6406 54.5645 -81.6402 197.002 GPRESSURE: 2451200 21.7996 177.946 -2.35644 -13.2635 -158.753 -23.0996 110.333 -80.239 245.851 PRESSAVG: 2451200 36.8086 35.2011 47.5753 35.2011 -54.315 -0.572553 47.5752 -0.572554 41.8422 GPRESSAVG: 2451200 37.3656 37.6239 45.8526 32.4989 -54.308 1.28028 46.8969 -0.25161 41.2839 TIMING: 2451200 CPU: 7103.35, 0.00289128/step Wall: 7103.35, 0.00289128/step, 2.04703 hours remaining, 209.941406 MB of memory in use. ENERGY: 2451200 732.0901 2074.4240 1927.4352 105.2355 -206328.6939 17931.5152 0.0000 0.0000 34202.7046 -149355.2892 298.7007 -183557.9938 -149258.9038 298.2244 3.5901 36.2991 557703.6601 8.1119 8.1138 PRESSURE: 2451400 -135.088 -93.7532 -67.6748 -93.7538 -70.7923 157.701 -67.675 157.701 -97.8936 GPRESSURE: 2451400 -117.937 -79.344 11.8041 -57.7613 -36.2354 191.173 -155.008 134.792 -62.6974 PRESSAVG: 2451400 7.04506 35.0442 -27.1247 35.0442 -106.912 38.2541 -27.1247 38.2541 97.745 GPRESSAVG: 2451400 6.78452 35.8114 -24.416 36.3363 -107.077 37.1108 -27.0994 38.4328 98.1045 TIMING: 2451400 CPU: 7103.93, 0.00287684/step Wall: 7103.93, 0.00287684/step, 2.03664 hours remaining, 210.011719 MB of memory in use. ENERGY: 2451400 712.0375 2047.6793 1985.3290 130.1236 -205869.2109 17521.9589 0.0000 0.0000 34270.5226 -149201.5601 299.2930 -183472.0827 -149103.7033 298.7969 -101.2581 -72.2899 557177.5335 -0.7073 -0.7293 PRESSURE: 2451600 -266.363 -44.2028 41.3759 -44.203 -266.849 -144.675 41.3763 -144.676 20.3584 GPRESSURE: 2451600 -223.381 -52.8524 -52.9936 -117.959 -228.64 -112.013 105.101 -125.24 31.8605 PRESSAVG: 2451600 -15.882 -9.75467 -38.5792 -9.7547 17.3543 -7.11323 -38.5792 -7.11316 4.00627 GPRESSAVG: 2451600 -15.8494 -11.0744 -39.4023 -9.9987 17.5325 -6.14428 -38.5503 -7.42839 3.25192 TIMING: 2451600 CPU: 7104.5, 0.00288522/step Wall: 7104.5, 0.00288522/step, 2.04241 hours remaining, 210.011719 MB of memory in use. ENERGY: 2451600 740.9739 2055.2927 1955.8809 110.1189 -205638.4736 17433.5285 0.0000 0.0000 34049.9386 -149292.7401 297.3666 -183342.6787 -149195.4891 298.9167 -170.9514 -140.0533 558447.5616 1.8262 1.6450 PRESSURE: 2451800 -45.0281 0.785915 254.201 0.785945 -321.338 -327.468 254.201 -327.466 155.189 GPRESSURE: 2451800 -36.4732 -15.2645 200.492 54.5712 -337.746 -299.931 331.887 -314.495 256.209 PRESSAVG: 2451800 -31.1681 -14.2279 46.2673 -14.2278 -34.3536 -29.3532 46.2674 -29.3532 38.7564 GPRESSAVG: 2451800 -31.5092 -12.205 46.0986 -15.2221 -34.5283 -30.0853 47.954 -28.4447 39.205 TIMING: 2451800 CPU: 7105.09, 0.00291571/step Wall: 7105.09, 0.00291571/step, 2.06384 hours remaining, 210.011719 MB of memory in use. ENERGY: 2451800 722.0788 2039.4411 1946.2234 127.6399 -205864.4739 17678.3298 0.0000 0.0000 34091.0796 -149259.6814 297.7259 -183350.7610 -149161.8599 298.4428 -70.3923 -39.3366 557995.4447 -8.9217 -8.9442 PRESSURE: 2452000 -311.875 -29.3971 -11.2568 -29.3962 -267.573 44.6749 -11.2574 44.6747 -67.0376 GPRESSURE: 2452000 -291.025 49.9925 -93.9071 -60.5 -197.375 105.823 58.8162 22.2115 -62.2927 PRESSAVG: 2452000 -24.7917 -15.7421 17.1536 -15.7423 -25.7956 47.9309 17.1535 47.931 21.6215 GPRESSAVG: 2452000 -26.3439 -16.0541 16.9336 -13.4003 -24.6977 47.9116 16.9331 46.5642 21.9095 TIMING: 2452000 CPU: 7105.67, 0.00289321/step Wall: 7105.67, 0.00289321/step, 2.04775 hours remaining, 210.011719 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: 2452000 738.3767 2053.1820 1952.6902 103.8169 -205978.7034 17638.3170 0.0000 0.0000 34255.8840 -149236.4366 299.1652 -183492.3206 -149137.0180 298.5171 -215.4951 -183.5642 559485.5954 -9.6553 -9.7107 PRESSURE: 2452200 -307.219 63.9943 172.665 63.9937 -246.284 157.482 172.664 157.482 -82.4925 GPRESSURE: 2452200 -238.112 37.4165 145.954 60.379 -187.55 93.7144 141.036 147.321 -117.903 PRESSAVG: 2452200 32.9918 -44.0009 31.0214 -44.0009 4.25356 66.2342 31.0214 66.2343 -19.0262 GPRESSAVG: 2452200 34.4982 -45.2168 30.9592 -44.5342 3.38393 66.4193 27.7366 66.1055 -19.7007 TIMING: 2452200 CPU: 7106.25, 0.00289858/step Wall: 7106.25, 0.00289858/step, 2.05139 hours remaining, 210.011719 MB of memory in use. ENERGY: 2452200 713.5897 2063.1758 1952.7393 106.6006 -205651.2185 17449.2402 0.0000 0.0000 34052.1794 -149313.6935 297.3862 -183365.8729 -149222.6826 298.7067 -211.9983 -181.1886 558313.6757 6.0730 6.0605 LDB: ============= START OF LOAD BALANCING ============== 7109.63 LDB: ============== END OF LOAD BALANCING =============== 7109.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7109.63 LDB: ============= START OF LOAD BALANCING ============== 7109.93 LDB: Largest compute 4820 load 0.024160 is 20.5% of average load 0.117883 LDB: Average compute 0.001754 is 1.5% of average load 0.117883 LDB: TIME 7109.93 LOAD: AVG 0.117883 MAX 0.180392 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.645 MB LDB: TIME 7109.93 LOAD: AVG 0.117883 MAX 0.180392 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.848 MB LDB: TIME 7109.93 LOAD: AVG 0.117883 MAX 0.180392 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.848 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7109.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7109.94 PRESSURE: 2452400 -121.033 -83.9484 45.1988 -83.9479 -97.5152 19.5607 45.1988 19.5608 -82.3388 GPRESSURE: 2452400 -36.0623 -108.216 48.1789 -9.7518 -81.3391 130.504 80.55 -34.6149 -87.3797 PRESSAVG: 2452400 18.3441 -12.5305 2.79395 -12.5305 2.64406 22.838 2.79386 22.838 -29.0887 GPRESSAVG: 2452400 18.8657 -11.7776 2.24303 -13.0439 1.31603 23.7824 5.56564 21.7103 -27.9945 TIMING: 2452400 CPU: 7106.84, 0.00297859/step Wall: 7106.84, 0.00297859/step, 2.10785 hours remaining, 208.078125 MB of memory in use. ENERGY: 2452400 753.0680 2043.0359 1936.8791 104.0157 -206095.2147 17728.7810 0.0000 0.0000 34272.0896 -149257.3455 299.3067 -183529.4351 -149160.5628 298.9353 -100.2957 -68.2604 558125.4454 -2.7002 -2.6043 PRESSURE: 2452600 192.457 3.33135 3.27994 3.33083 -23.6926 -86.274 3.28011 -86.275 190.54 GPRESSURE: 2452600 229.62 33.5194 22.2135 -74.0726 17.1784 -142.556 26.7299 -61.3056 195.007 PRESSAVG: 2452600 -21.6951 -7.6163 29.0137 -7.61626 -8.86835 49.5671 29.0136 49.567 49.1972 GPRESSAVG: 2452600 -23.3208 -6.47033 31.5267 -8.35519 -7.51258 43.7377 27.9073 50.9558 49.1401 TIMING: 2452600 CPU: 7107.42, 0.00289687/step Wall: 7107.42, 0.00289687/step, 2.04986 hours remaining, 208.148438 MB of memory in use. ENERGY: 2452600 743.6556 1983.3631 1893.6040 113.6320 -206214.4237 17987.5712 0.0000 0.0000 34267.1339 -149225.4638 299.2634 -183492.5978 -149127.6491 299.7921 119.7682 147.2685 554962.3665 6.2113 6.1023 PRESSURE: 2452800 53.9195 -68.1892 -29.6818 -68.189 -219.683 105.858 -29.6808 105.858 -70.603 GPRESSURE: 2452800 85.7925 -86.1932 49.8774 -147.21 -161.28 106.403 3.08515 99.0573 -60.4635 PRESSAVG: 2452800 20.2464 -23.7571 30.6132 -23.7571 -9.22178 7.31983 30.6131 7.31982 -3.51025 GPRESSAVG: 2452800 19.6888 -24.8769 28.6633 -22.8091 -9.01242 11.0952 31.1547 8.77206 -2.65611 TIMING: 2452800 CPU: 7108, 0.00289996/step Wall: 7108, 0.00289996/step, 2.05188 hours remaining, 208.148438 MB of memory in use. ENERGY: 2452800 752.0684 2037.8707 1941.0960 110.5756 -205711.5488 17519.1279 0.0000 0.0000 34157.7960 -149193.0140 298.3085 -183350.8101 -149097.9828 299.5104 -78.7890 -45.3170 556801.3024 2.5048 2.6734 PRESSURE: 2453000 -101.052 -96.3588 122.633 -96.359 -241.551 -45.3723 122.634 -45.3734 -276.303 GPRESSURE: 2453000 -100.165 -154.725 111.471 -111.915 -233.067 -80.8763 159.427 -45.714 -195.775 PRESSAVG: 2453000 -14.8438 12.5573 -13.8922 12.5574 -43.3278 -17.8699 -13.8921 -17.8698 60.5033 GPRESSAVG: 2453000 -15.1827 11.5823 -14.935 11.9174 -41.8013 -16.3835 -13.9408 -19.5992 59.1727 TIMING: 2453000 CPU: 7108.58, 0.00287591/step Wall: 7108.58, 0.00287591/step, 2.03471 hours remaining, 208.148438 MB of memory in use. ENERGY: 2453000 787.1226 2012.7489 1950.7179 102.3675 -205957.0889 17462.0084 0.0000 0.0000 34360.9186 -149281.2051 300.0824 -183642.1237 -149187.8549 299.2852 -206.3017 -176.3359 558267.3384 0.7772 0.7296 PRESSURE: 2453200 -1.00413 -88.1709 28.84 -88.1719 -140.011 -9.20522 28.8389 -9.2045 65.0513 GPRESSURE: 2453200 30.2661 -86.5715 9.05811 -169.448 -68.5573 -9.19718 19.9968 20.9979 74.9119 PRESSAVG: 2453200 -16.2257 -17.2009 8.3336 -17.2009 0.735565 -21.1372 8.33353 -21.1372 28.3922 GPRESSAVG: 2453200 -14.7046 -17.5748 7.66987 -18.4768 -0.639997 -23.858 9.59392 -20.5928 28.4595 TIMING: 2453200 CPU: 7109.16, 0.0029033/step Wall: 7109.16, 0.00290329/step, 2.05392 hours remaining, 208.148438 MB of memory in use. ENERGY: 2453200 779.5519 2096.1209 1915.6038 111.9116 -206068.4553 17673.8804 0.0000 0.0000 34277.7589 -149213.6279 299.3562 -183491.3867 -149125.2281 299.1700 -25.3213 12.2069 557472.9739 4.3007 4.3717 PRESSURE: 2453400 217.21 141.974 -18.9463 141.975 -34.4188 52.0008 -18.9458 52.0014 -83.4705 GPRESSURE: 2453400 182.144 158.353 -108.743 135.209 0.387369 -12.0118 59.7571 84.0434 25.9639 PRESSAVG: 2453400 25.9977 -5.66681 36.5422 -5.66692 -12.7817 -14.9881 36.5422 -14.9881 -5.55513 GPRESSAVG: 2453400 24.9289 -3.65475 37.074 -5.43851 -12.9137 -13.3047 36.5794 -14.249 -4.07651 TIMING: 2453400 CPU: 7109.74, 0.00289629/step Wall: 7109.74, 0.00289629/step, 2.0488 hours remaining, 208.390625 MB of memory in use. ENERGY: 2453400 736.3694 2129.9919 1949.8632 104.2432 -206187.4668 17828.4256 0.0000 0.0000 34069.8967 -149368.6767 297.5409 -183438.5734 -149275.4341 298.7083 33.1068 69.4985 557767.6562 2.5536 2.6462 PRESSURE: 2453600 -99.0882 49.234 -33.6548 49.2328 -260.858 56.441 -33.6553 56.4395 -341.726 GPRESSURE: 2453600 -72.5304 100.775 -71.1204 106.701 -273.418 128.922 -40.8144 55.5125 -264.655 PRESSAVG: 2453600 43.7009 83.6974 -62.1526 83.6974 1.40095 -62.4334 -62.1524 -62.4333 -37.0542 GPRESSAVG: 2453600 44.224 82.9761 -61.9035 84.479 1.84221 -61.8828 -62.4555 -64.1109 -38.1085 TIMING: 2453600 CPU: 7110.32, 0.00291094/step Wall: 7110.32, 0.00291094/step, 2.05901 hours remaining, 208.390625 MB of memory in use. ENERGY: 2453600 731.9517 2102.0872 1937.4887 100.0865 -205976.2302 17490.3655 0.0000 0.0000 34356.9355 -149257.3150 300.0477 -183614.2505 -149157.8960 299.3362 -233.8908 -203.5347 558157.9801 2.6826 2.6526 PRESSURE: 2453800 31.3674 106.254 -179.426 106.254 -68.761 13.4642 -179.427 13.4643 -37.1675 GPRESSURE: 2453800 78.4707 64.293 -174.084 105.661 -55.0747 13.5343 -133.067 15.2793 10.3755 PRESSAVG: 2453800 60.6245 24.5029 3.8464 24.5029 -31.4482 -26.8982 3.84638 -26.8982 -8.98514 GPRESSAVG: 2453800 60.7014 23.8958 4.80164 24.7804 -31.5999 -27.3071 1.96919 -26.7344 -9.28239 TIMING: 2453800 CPU: 7110.9, 0.00291543/step Wall: 7110.9, 0.00291543/step, 2.06202 hours remaining, 208.390625 MB of memory in use. ENERGY: 2453800 744.4030 2040.3594 1969.1961 111.5580 -206006.2627 17755.6468 0.0000 0.0000 34140.4477 -149244.6516 298.1570 -183385.0993 -149150.4537 299.2093 -24.8537 11.2572 557646.8181 6.7304 6.6063 PRESSURE: 2454000 119.076 137.266 -24.5255 137.266 -30.1533 -155.109 -24.5257 -155.11 329.427 GPRESSURE: 2454000 135.057 62.6259 -71.8802 181.59 18.6296 -210.457 1.35576 -91.1448 356.346 PRESSAVG: 2454000 84.6983 -41.5539 -12.8306 -41.5538 -65.248 54.6472 -12.8306 54.6471 -27.1805 GPRESSAVG: 2454000 84.1666 -40.2962 -13.7198 -40.9467 -65.0707 53.3015 -10.9661 55.616 -26.6015 TIMING: 2454000 CPU: 7111.48, 0.00291352/step Wall: 7111.48, 0.00291352/step, 2.06051 hours remaining, 208.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2454000 783.3673 2037.8610 1941.2192 124.5616 -206519.1989 18133.7210 0.0000 0.0000 34225.5170 -149272.9518 298.9000 -183498.4688 -149181.9372 298.9605 139.4496 170.0107 555798.2144 -2.5767 -2.5018 PRESSURE: 2454200 -195.389 155.733 -71.7818 155.731 -122.194 -52.0633 -71.7826 -52.0641 -230.499 GPRESSURE: 2454200 -130.582 171.612 -23.3662 191.605 -156.506 -13.924 -144.065 -159.056 -161.124 PRESSAVG: 2454200 68.9517 -6.57086 -4.00727 -6.57079 -18.0282 -24.4562 -4.00735 -24.4561 -27.5801 GPRESSAVG: 2454200 70.4176 -7.65845 -1.96078 -6.57826 -18.9589 -23.9383 -4.50872 -24.6356 -27.7429 TIMING: 2454200 CPU: 7112.06, 0.00290535/step Wall: 7112.06, 0.00290535/step, 2.05457 hours remaining, 208.390625 MB of memory in use. ENERGY: 2454200 768.7905 2120.7525 1898.9465 117.5691 -205743.2357 17420.6847 0.0000 0.0000 34518.7308 -148897.7615 301.4607 -183416.4923 -148807.5598 299.0412 -182.6939 -149.4040 558733.0653 7.7812 7.9053 PRESSURE: 2454400 -228.499 32.0791 -128.28 32.0784 20.3546 -19.038 -128.279 -19.0397 52.0062 GPRESSURE: 2454400 -226.058 2.52573 -224.642 57.0263 50.8795 -0.0117691 -47.521 -58.6326 109.587 PRESSAVG: 2454400 38.7121 11.7223 -19.4504 11.7223 6.27959 -18.0555 -19.4504 -18.0555 -36.8924 GPRESSAVG: 2454400 37.8267 10.7451 -21.6304 13.6914 7.68539 -19.1127 -19.652 -17.4522 -36.8967 TIMING: 2454400 CPU: 7112.64, 0.00289682/step Wall: 7112.64, 0.00289682/step, 2.04838 hours remaining, 208.390625 MB of memory in use. ENERGY: 2454400 736.2132 2107.8339 1942.2567 118.1939 -206045.3034 17716.3814 0.0000 0.0000 34336.8588 -149087.5654 299.8723 -183424.4242 -148995.6944 300.1564 -52.0462 -21.8640 557473.7352 2.6998 2.8718 PRESSURE: 2454600 54.918 182.971 18.1107 182.972 244.453 -127.56 18.111 -127.559 -43.6966 GPRESSURE: 2454600 142.616 145.168 9.78687 218.617 232.021 -83.6958 9.81124 -187.449 -23.1016 PRESSAVG: 2454600 -15.7125 25.5145 6.19894 25.5145 23.1164 -25.3855 6.19897 -25.3855 -24.0223 GPRESSAVG: 2454600 -14.6882 25.5427 6.2802 24.0311 21.5308 -21.6474 6.55691 -28.1101 -23.4798 TIMING: 2454600 CPU: 7113.23, 0.0029115/step Wall: 7113.23, 0.0029115/step, 2.05859 hours remaining, 208.390625 MB of memory in use. ENERGY: 2454600 726.5170 2107.6392 1919.2922 117.4260 -205907.4612 17679.0236 0.0000 0.0000 34463.0284 -148894.5349 300.9742 -183357.5633 -148788.1654 300.5248 85.2250 117.1786 556557.4266 -5.5395 -5.5458 PRESSURE: 2454800 -331.145 75.9294 -174.525 75.9303 -67.1677 80.2862 -174.524 80.2867 -216.892 GPRESSURE: 2454800 -259.141 79.2557 -96.5376 -39.9026 -57.7648 52.8967 -204.09 113.503 -199.571 PRESSAVG: 2454800 19.4132 49.1366 10.9631 49.1366 1.16726 16.4616 10.963 16.4616 49.8955 GPRESSAVG: 2454800 18.5859 49.6649 11.2944 48.268 2.0961 11.4218 10.5759 19.4688 49.7191 TIMING: 2454800 CPU: 7113.81, 0.00289442/step Wall: 7113.81, 0.00289442/step, 2.04636 hours remaining, 208.390625 MB of memory in use. ENERGY: 2454800 768.2122 2133.8393 1920.7486 114.7965 -205446.1855 17349.3936 0.0000 0.0000 34318.5948 -148840.6005 299.7128 -183159.1953 -148740.3273 300.7180 -205.0679 -172.1590 558537.4183 23.4920 23.4670 PRESSURE: 2455000 -117.521 -153.787 -60.0546 -153.786 -43.4582 33.718 -60.0539 33.7176 -228.755 GPRESSURE: 2455000 -81.8711 -129.225 -80.0229 -135.917 30.9537 25.4989 -122.016 64.9695 -237.535 PRESSAVG: 2455000 -30.3368 13.1588 -24.2519 13.1588 12.7005 54.5773 -24.2519 54.5772 6.28101 GPRESSAVG: 2455000 -29.9287 13.7278 -24.1988 12.7799 12.5759 54.9953 -25.2967 55.0766 5.51314 TIMING: 2455000 CPU: 7114.38, 0.00286824/step Wall: 7114.38, 0.00286824/step, 2.02769 hours remaining, 208.390625 MB of memory in use. ENERGY: 2455000 810.7623 2076.5533 1918.3999 111.4001 -205728.9829 17680.8042 0.0000 0.0000 34294.6897 -148836.3735 299.5041 -183131.0632 -148741.8575 300.7600 -129.9114 -96.1507 558183.0447 -3.7851 -3.9465 PRESSURE: 2455200 -211.241 -267.283 -33.5287 -267.284 -63.2363 93.6737 -33.5274 93.6731 -119.224 GPRESSURE: 2455200 -111.395 -203.523 -31.6422 -263.327 -89.3929 140.648 -20.0714 113.579 -101.273 PRESSAVG: 2455200 34.7237 -43.753 -10.4577 -43.753 43.4033 -9.80408 -10.4576 -9.80405 -60.961 GPRESSAVG: 2455200 34.876 -42.8131 -8.65274 -42.4518 42.6692 -9.59019 -10.7977 -9.38326 -60.4646 TIMING: 2455200 CPU: 7114.95, 0.00287435/step Wall: 7114.95, 0.00287434/step, 2.03184 hours remaining, 208.390625 MB of memory in use. ENERGY: 2455200 714.1710 2080.0535 1949.8681 105.4960 -205785.3525 17467.7035 0.0000 0.0000 34457.3631 -149010.6973 300.9247 -183468.0603 -148911.8222 300.0324 -131.2337 -100.6868 559039.5718 5.7220 5.6936 PRESSURE: 2455400 -159.672 36.595 118.742 36.5945 -105.545 -71.869 118.742 -71.8699 -180.494 GPRESSURE: 2455400 -153.163 38.6616 36.6066 40.2841 6.89962 -42.1968 148.24 -96.6664 -198.064 PRESSAVG: 2455400 9.56421 9.37338 -8.28116 9.37331 -22.4131 36.2596 -8.28116 36.2597 -15.1776 GPRESSAVG: 2455400 9.46888 8.34178 -10.1628 8.77289 -22.5336 36.1755 -6.88018 34.0154 -15.1667 TIMING: 2455400 CPU: 7115.53, 0.00290586/step Wall: 7115.53, 0.00290586/step, 2.05396 hours remaining, 208.390625 MB of memory in use. ENERGY: 2455400 754.7153 2133.6249 1958.5360 124.7393 -205559.2444 17423.6599 0.0000 0.0000 34194.4448 -148969.5241 298.6286 -183163.9689 -148872.0581 299.2053 -148.5703 -114.7757 558346.6846 -9.3422 -9.4105 PRESSURE: 2455600 357.434 -0.765224 44.0263 -0.764918 182.79 -35.2209 44.0259 -35.223 111.241 GPRESSURE: 2455600 378.895 24.8875 55.2253 53.3596 241.64 -85.9504 95.6109 87.5511 133.617 PRESSAVG: 2455600 43.1455 24.3665 -6.76494 24.3666 -13.4236 -38.9923 -6.76501 -38.9925 -45.917 GPRESSAVG: 2455600 43.3992 24.8313 -6.19553 25.6854 -13.9025 -39.649 -7.18413 -37.4099 -45.5131 TIMING: 2455600 CPU: 7116.11, 0.00289573/step Wall: 7116.11, 0.00289573/step, 2.04664 hours remaining, 208.390625 MB of memory in use. ENERGY: 2455600 725.7729 2122.3423 1953.4296 107.1725 -206138.5451 17919.1676 0.0000 0.0000 34269.4999 -149041.1602 299.2841 -183310.6601 -148948.4485 299.1620 217.1550 251.3841 556586.9951 -5.3984 -5.3388 PRESSURE: 2455800 -12.4721 61.2104 15.4717 61.2115 -47.1103 -145.932 15.4721 -145.932 -20.436 GPRESSURE: 2455800 -9.19251 93.484 74.6041 108.609 22.6994 -103.034 -30.1918 -138.279 6.78582 PRESSAVG: 2455800 30.374 44.2186 -29.5948 44.2186 -54.3769 45.4632 -29.5948 45.4632 -0.393513 GPRESSAVG: 2455800 29.3468 46.0853 -31.1379 43.0868 -53.6172 46.4764 -28.5087 44.5616 0.106018 TIMING: 2455800 CPU: 7116.69, 0.00288808/step Wall: 7116.69, 0.00288808/step, 2.04107 hours remaining, 208.390625 MB of memory in use. ENERGY: 2455800 729.4705 2124.4946 1947.0196 108.0414 -205963.5217 17809.7487 0.0000 0.0000 34187.4108 -149057.3361 298.5672 -183244.7470 -148962.8202 298.9286 -26.6728 6.7642 557345.3015 -8.1321 -8.0548 PRESSURE: 2456000 128.67 48.4074 -24.4749 48.4075 148.8 -46.0042 -24.4751 -46.0039 256.096 GPRESSURE: 2456000 187.949 61.1745 -131.451 -1.37507 188.802 -113.274 -5.59098 -18.7649 258.614 PRESSAVG: 2456000 24.3822 -15.0888 -14.0764 -15.0888 -7.61143 -14.7191 -14.0764 -14.7191 11.398 GPRESSAVG: 2456000 24.814 -17.8565 -13.6662 -15.4743 -7.93374 -17.1225 -13.4962 -13.8688 11.0472 TIMING: 2456000 CPU: 7117.27, 0.00289179/step Wall: 7117.27, 0.00289179/step, 2.04353 hours remaining, 208.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2456000 744.6502 2085.7493 1964.6773 123.9658 -206194.4294 18013.2391 0.0000 0.0000 34308.5040 -148953.6436 299.6247 -183262.1476 -148852.8306 299.4146 177.8554 211.7884 555651.4041 9.3896 9.3091 PRESSURE: 2456200 -153.985 31.2323 -95.3611 31.2311 51.4043 70.9251 -95.3595 70.9248 51.0925 GPRESSURE: 2456200 -88.9505 -19.9735 -44.317 -26.17 92.0517 77.0617 -175.278 53.0141 30.125 PRESSAVG: 2456200 51.8809 -7.51919 -15.1116 -7.51919 -17.1843 24.0509 -15.1115 24.0507 12.909 GPRESSAVG: 2456200 51.4277 -7.68631 -15.2598 -7.95334 -16.0385 26.1146 -16.4095 21.731 12.731 TIMING: 2456200 CPU: 7117.85, 0.00290874/step Wall: 7117.85, 0.00290874/step, 2.05535 hours remaining, 208.390625 MB of memory in use. ENERGY: 2456200 753.8442 2071.1134 1981.8604 102.7079 -205938.2834 17621.2671 0.0000 0.0000 34552.6841 -148854.8063 301.7572 -183407.4904 -148749.1234 299.3850 -17.1627 11.0754 556033.3838 15.8686 16.0401 LDB: ============= START OF LOAD BALANCING ============== 7121.24 LDB: ============== END OF LOAD BALANCING =============== 7121.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7121.24 LDB: ============= START OF LOAD BALANCING ============== 7121.53 LDB: Largest compute 4800 load 0.024383 is 20.7% of average load 0.117911 LDB: Average compute 0.001765 is 1.5% of average load 0.117911 LDB: TIME 7121.53 LOAD: AVG 0.117911 MAX 0.179393 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.344 MB LDB: TIME 7121.53 LOAD: AVG 0.117911 MAX 0.179393 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: TIME 7121.53 LOAD: AVG 0.117911 MAX 0.179393 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.434 MB LDB: ============== END OF LOAD BALANCING =============== 7121.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7121.53 PRESSURE: 2456400 -182.118 -113.364 -52.0983 -113.364 -177.941 155.391 -52.0974 155.391 -20.1068 GPRESSURE: 2456400 -126.793 4.76946 -9.23809 -104.747 -168.124 112.552 -77.5794 158.848 17.342 PRESSAVG: 2456400 37.5526 25.4385 -15.2561 25.4385 -53.0053 63.1965 -15.2561 63.1965 -49.3871 GPRESSAVG: 2456400 38.7824 25.196 -13.5902 26.1701 -54.2828 63.5063 -16.2243 65.0064 -49.1954 TIMING: 2456400 CPU: 7118.44, 0.00293746/step Wall: 7118.44, 0.00293746/step, 2.07548 hours remaining, 209.492188 MB of memory in use. ENERGY: 2456400 769.9525 2080.5836 1943.1145 114.6646 -205995.6355 17630.0500 0.0000 0.0000 34423.0404 -149034.2299 300.6250 -183457.2703 -148942.1302 300.2336 -126.7219 -92.5249 556852.0870 -21.6133 -21.5653 PRESSURE: 2456600 -130.497 139.115 71.0741 139.116 -447.857 185.07 71.0745 185.07 -18.4942 GPRESSURE: 2456600 -63.4896 161.382 22.0466 127.885 -419.71 191.209 30.3705 142.273 -27.6095 PRESSAVG: 2456600 43.4314 -55.3022 -38.0823 -55.3022 3.53968 -24.5385 -38.0823 -24.5385 17.1514 GPRESSAVG: 2456600 42.8176 -54.9796 -39.6729 -54.1122 3.22852 -25.3494 -36.9915 -23.5188 17.606 TIMING: 2456600 CPU: 7119.01, 0.00286913/step Wall: 7119.01, 0.00286913/step, 2.02704 hours remaining, 209.492188 MB of memory in use. ENERGY: 2456600 736.1903 2071.4712 1948.5491 118.6811 -205641.0125 17458.0189 0.0000 0.0000 34064.9476 -149243.1542 297.4977 -183308.1018 -149153.0491 300.3770 -198.9496 -170.2696 557439.0811 21.3742 21.2174 PRESSURE: 2456800 242.873 94.8638 -5.0242 94.8632 -207.875 11.1756 -5.02384 11.1756 -165.157 GPRESSURE: 2456800 310.645 144.899 -25.2209 134.587 -172.757 -67.7514 20.6157 -2.3945 -168.387 PRESSAVG: 2456800 11.2796 43.6445 -64.6872 43.6445 -34.3504 24.276 -64.6872 24.276 -25.0263 GPRESSAVG: 2456800 10.0347 44.809 -66.4399 41.4366 -32.2879 23.8291 -64.1822 24.2761 -25.5517 TIMING: 2456800 CPU: 7119.59, 0.00286503/step Wall: 7119.59, 0.00286503/step, 2.02399 hours remaining, 209.492188 MB of memory in use. ENERGY: 2456800 710.7550 2111.8930 1945.3444 109.6071 -206107.1061 17743.9203 0.0000 0.0000 34313.1164 -149172.4699 299.6650 -183485.5863 -149076.7692 298.5801 -43.3863 -10.1664 557527.4675 -16.0324 -15.9350 PRESSURE: 2457000 -19.6002 187.391 -111.905 187.392 8.16176 99.1801 -111.907 99.1794 -241.182 GPRESSURE: 2457000 -16.7716 188.88 -110.161 149.807 34.874 210.256 -74.3044 44.8789 -169.641 PRESSAVG: 2457000 66.6283 9.64196 9.2129 9.64186 -26.236 61.5094 9.21283 61.5093 -47.3549 GPRESSAVG: 2457000 67.2372 8.48574 11.7265 9.97728 -27.977 61.1507 7.8343 62.717 -46.3095 TIMING: 2457000 CPU: 7120.16, 0.00286964/step Wall: 7120.16, 0.00286964/step, 2.02708 hours remaining, 209.691406 MB of memory in use. ENERGY: 2457000 760.9470 2103.7824 1920.9080 107.2716 -206023.9842 17740.1018 0.0000 0.0000 34179.5394 -149211.4339 298.4984 -183390.9733 -149121.8151 298.6550 -84.2068 -50.5128 557725.3800 -2.3209 -2.3498 PRESSURE: 2457200 243.605 -80.4084 -70.6527 -80.4091 205.689 88.6 -70.6514 88.6008 167.136 GPRESSURE: 2457200 291.262 -19.327 -119.7 -134.419 226.199 88.4594 -51.7482 52.8448 191.865 PRESSAVG: 2457200 21.524 8.88949 -5.40841 8.88951 18.3485 -2.42118 -5.40842 -2.4211 2.79356 GPRESSAVG: 2457200 21.1505 10.5941 -5.18156 9.81035 18.8886 -0.39417 -7.65723 -3.91098 2.68587 TIMING: 2457200 CPU: 7120.73, 0.00287157/step Wall: 7120.73, 0.00287157/step, 2.02828 hours remaining, 209.691406 MB of memory in use. ENERGY: 2457200 725.8682 2049.3298 1937.2984 106.0814 -206502.5211 18009.3000 0.0000 0.0000 34278.2410 -149396.4022 299.3604 -183674.6432 -149294.7345 299.1130 205.4764 236.4423 555919.8255 14.2220 14.2417 PRESSURE: 2457400 -3.68376 116.789 -61.2531 116.789 -193.04 -43.8241 -61.2539 -43.8242 131.783 GPRESSURE: 2457400 -1.88743 141.446 29.5083 26.3277 -140.101 -49.9659 -121.316 -89.5815 167.494 PRESSAVG: 2457400 26.3042 7.74912 -64.6408 7.74909 -18.2728 -77.3928 -64.6409 -77.3927 -36.3825 GPRESSAVG: 2457400 27.2466 5.87717 -66.8609 8.49844 -17.7081 -77.6476 -60.9447 -76.4415 -37.4392 TIMING: 2457400 CPU: 7121.31, 0.00288228/step Wall: 7121.31, 0.00288228/step, 2.03569 hours remaining, 209.691406 MB of memory in use. ENERGY: 2457400 780.2278 2070.0814 1929.5277 129.4585 -206125.2948 17827.5381 0.0000 0.0000 34193.0635 -149195.3978 298.6165 -183388.4613 -149099.2807 298.6774 -21.6470 8.5019 557481.8612 -9.4504 -9.3003 PRESSURE: 2457600 11.7693 -37.0171 -73.485 -37.0174 -32.3578 -14.5733 -73.4837 -14.5746 304.782 GPRESSURE: 2457600 46.4811 -26.0284 -44.2643 -12.6851 24.6278 15.6874 -45.0687 2.43422 307.765 PRESSAVG: 2457600 -1.3444 9.79599 -67.373 9.79599 -17.4184 -12.433 -67.3731 -12.4329 65.2796 GPRESSAVG: 2457600 -2.78899 8.41834 -64.1813 10.4782 -18.2297 -13.3922 -69.1376 -13.7453 67.4195 TIMING: 2457600 CPU: 7121.89, 0.00287795/step Wall: 7121.89, 0.00287795/step, 2.03247 hours remaining, 209.691406 MB of memory in use. ENERGY: 2457600 755.7960 2056.2621 1947.1489 100.3466 -206429.9992 18008.4506 0.0000 0.0000 34390.0647 -149171.9303 300.3370 -183561.9950 -149076.7910 299.4340 94.7310 126.2914 557440.1124 15.5056 15.4669 PRESSURE: 2457800 -7.13881 21.1565 -74.3366 21.1551 50.5668 -205.757 -74.3368 -205.756 -195.878 GPRESSURE: 2457800 78.4907 -7.36486 -140.96 -45.149 26.4467 -175.718 -7.19625 -127.587 -169.454 PRESSAVG: 2457800 -21.5673 -27.5169 -8.27914 -27.517 -31.0137 -11.8161 -8.27919 -11.816 51.4484 GPRESSAVG: 2457800 -20.5825 -26.3666 -9.97908 -29.6955 -31.019 -11.9906 -6.99834 -11.0878 50.4833 TIMING: 2457800 CPU: 7122.46, 0.00285812/step Wall: 7122.46, 0.00285812/step, 2.01831 hours remaining, 209.691406 MB of memory in use. ENERGY: 2457800 759.1658 2036.1866 1911.2618 113.3605 -205785.7694 17687.7423 0.0000 0.0000 34323.6061 -148954.4462 299.7566 -183278.0524 -148863.9505 299.4809 -50.8167 -21.5057 558217.8069 -0.3775 -0.3727 PRESSURE: 2458000 139.52 73.056 -60.851 73.0561 -140.688 -44.8277 -60.8516 -44.8292 -25.9261 GPRESSURE: 2458000 163.61 22.534 20.4102 63.6504 -148.708 -47.9243 -55.6709 -57.9718 43.7007 PRESSAVG: 2458000 5.58978 50.3745 -28.5469 50.3745 -37.2461 9.69959 -28.5469 9.69959 17.2252 GPRESSAVG: 2458000 4.87875 50.9006 -28.729 51.4936 -36.4162 9.79856 -27.1548 9.40027 16.5599 TIMING: 2458000 CPU: 7123.03, 0.0028835/step Wall: 7123.03, 0.0028835/step, 2.03607 hours remaining, 209.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2458000 713.4971 2066.0165 1946.1567 125.6192 -205587.8636 17415.5430 0.0000 0.0000 34544.7105 -148776.3205 301.6875 -183321.0310 -148678.0833 299.5990 -9.0316 19.5340 557251.7678 -4.8104 -4.9925 PRESSURE: 2458200 -248.658 -58.4051 38.7076 -58.4033 257.47 -58.781 38.7083 -58.7808 -17.489 GPRESSURE: 2458200 -189.119 -50.8632 40.0734 -26.5747 246.335 -86.517 -5.46993 -50.4185 38.7605 PRESSAVG: 2458200 -22.1051 14.416 -7.89951 14.4161 -25.4745 34.3405 -7.89952 34.3405 54.9775 GPRESSAVG: 2458200 -22.2989 15.1664 -6.21749 12.7963 -26.0087 34.5422 -10.7943 33.2317 55.704 TIMING: 2458200 CPU: 7123.62, 0.00290848/step Wall: 7123.62, 0.00290848/step, 2.05355 hours remaining, 209.691406 MB of memory in use. ENERGY: 2458200 751.1407 2031.5608 1942.7300 124.9446 -205852.5355 17652.7332 0.0000 0.0000 34360.3148 -148989.1115 300.0772 -183349.4263 -148890.4442 299.7065 -2.8922 31.9921 558878.4732 2.4660 2.4655 PRESSURE: 2458400 111.498 85.1415 7.29024 85.1423 -198.149 57.9932 7.28837 57.9934 -150.672 GPRESSURE: 2458400 125.364 136.49 -17.2142 4.44123 -177.644 66.8923 -25.9937 163.076 -83.1784 PRESSAVG: 2458400 28.9989 12.6289 -66.7765 12.6289 -16.3951 -10.4985 -66.7765 -10.4984 -8.10075 GPRESSAVG: 2458400 29.8079 12.4171 -65.5637 13.1169 -16.7414 -11.0663 -64.733 -8.23561 -8.54454 TIMING: 2458400 CPU: 7124.19, 0.00288398/step Wall: 7124.19, 0.00288398/step, 2.03609 hours remaining, 209.691406 MB of memory in use. ENERGY: 2458400 753.2867 2079.4301 1912.9246 97.9084 -205716.0828 17688.1378 0.0000 0.0000 34005.9426 -149178.4526 296.9824 -183184.3952 -149079.7072 298.9176 -79.1075 -45.1530 559357.5736 1.5010 1.5073 PRESSURE: 2458600 116.805 65.2215 -80.0214 65.2231 180.857 62.5607 -80.0207 62.562 -17.2048 GPRESSURE: 2458600 169.298 43.9896 -132.943 57.9784 188.028 112.293 -50.8745 -44.0899 13.2974 PRESSAVG: 2458600 -36.2507 -1.14354 -23.1362 -1.14364 -17.5851 -1.11865 -23.1362 -1.11863 25.2488 GPRESSAVG: 2458600 -35.8573 -3.20459 -24.5215 1.04644 -19.209 -0.0334395 -23.8377 -5.72365 26.0546 TIMING: 2458600 CPU: 7124.77, 0.00287965/step Wall: 7124.77, 0.00287965/step, 2.03287 hours remaining, 209.691406 MB of memory in use. ENERGY: 2458600 773.3502 2048.8710 1931.8602 102.2638 -206485.6828 18034.9313 0.0000 0.0000 34276.3174 -149318.0888 299.3436 -183594.4062 -149227.4005 298.9463 93.4858 123.5410 558189.3392 -9.5290 -9.6706 PRESSURE: 2458800 -272.893 -70.6537 115.37 -70.654 -257.498 -141.049 115.369 -141.05 -404.482 GPRESSURE: 2458800 -207.884 -74.3 241.706 -116.382 -224.508 -129.572 56.0158 -153.063 -409.024 PRESSAVG: 2458800 -5.83614 25.1499 10.9677 25.1498 15.007 32.9001 10.9677 32.9002 -13.8142 GPRESSAVG: 2458800 -6.98031 25.7622 12.0698 24.1594 15.8253 31.5342 9.63644 35.467 -13.768 TIMING: 2458800 CPU: 7125.35, 0.00288741/step Wall: 7125.35, 0.00288741/step, 2.03819 hours remaining, 209.691406 MB of memory in use. ENERGY: 2458800 763.2546 2033.0613 1941.2792 111.0968 -205695.2972 17374.1043 0.0000 0.0000 34116.8836 -149355.6174 297.9512 -183472.5010 -149263.1756 298.7042 -311.6241 -280.4717 557965.9903 -1.5478 -1.6410 PRESSURE: 2459000 184.627 -26.4332 23.7675 -26.4339 136.673 -83.6073 23.7674 -83.6078 184.781 GPRESSURE: 2459000 250.901 12.0445 -30.1028 -65.6336 144.679 -15.3391 -50.8658 -117.736 208.745 PRESSAVG: 2459000 11.4287 1.76277 57.3106 1.76277 8.03674 -11.5264 57.3107 -11.5263 -36.7666 GPRESSAVG: 2459000 11.2979 2.19274 56.9936 0.623407 7.46787 -10.0328 57.2001 -11.0394 -36.5351 TIMING: 2459000 CPU: 7125.93, 0.00289995/step Wall: 7125.93, 0.00289995/step, 2.04688 hours remaining, 209.691406 MB of memory in use. ENERGY: 2459000 745.3140 2049.8221 1954.1471 114.2917 -206245.0638 17989.4721 0.0000 0.0000 34351.6473 -149040.3696 300.0015 -183392.0168 -148945.4448 299.3888 168.6934 201.4417 556488.4548 -5.7670 -5.9231 PRESSURE: 2459200 -123.15 -209.638 18.5326 -209.636 76.0861 -177.686 18.5335 -177.688 234.675 GPRESSURE: 2459200 -87.8155 -233.668 33.519 -46.9952 131.096 -247.226 -29.4431 -217.409 238.929 PRESSAVG: 2459200 -37.0901 11.7698 6.89514 11.7697 6.69374 -11.2391 6.89515 -11.239 -3.80167 GPRESSAVG: 2459200 -37.6457 10.2886 6.87798 12.9137 7.45614 -13.8129 7.71013 -9.58146 -4.01922 TIMING: 2459200 CPU: 7126.5, 0.00288479/step Wall: 7126.5, 0.00288479/step, 2.03602 hours remaining, 209.691406 MB of memory in use. ENERGY: 2459200 715.0393 2045.8278 1952.9047 120.7175 -205835.4078 17749.9677 0.0000 0.0000 34247.3868 -149003.5638 299.0909 -183250.9506 -148906.7835 299.4888 62.5373 94.0696 556947.3759 -11.3994 -11.4029 PRESSURE: 2459400 -157.814 -92.1719 -74.0324 -92.1722 -156.63 104.08 -74.0329 104.08 -207.954 GPRESSURE: 2459400 -182.186 -171.027 -82.2822 22.3871 -81.1982 66.2805 -24.637 168.105 -152.146 PRESSAVG: 2459400 -30.2656 2.47925 62.6476 2.47933 18.5577 26.7322 62.6476 26.7323 39.4383 GPRESSAVG: 2459400 -30.6748 3.36458 60.6829 2.37958 19.0089 27.2013 62.5276 24.3804 39.9544 TIMING: 2459400 CPU: 7127.08, 0.00289553/step Wall: 7127.08, 0.00289553/step, 2.04344 hours remaining, 209.691406 MB of memory in use. ENERGY: 2459400 775.9084 2062.7663 1919.1167 110.8112 -205515.5110 17499.4000 0.0000 0.0000 34298.4296 -148849.0787 299.5367 -183147.5083 -148756.6726 299.8055 -174.1325 -138.5102 559295.9957 9.2435 9.4295 PRESSURE: 2459600 236.419 76.1574 89.4991 76.1584 29.6779 49.5148 89.4987 49.5148 49.6279 GPRESSURE: 2459600 211.809 109.603 87.4316 13.7561 69.9828 140.931 132.145 -15.1129 119.657 PRESSAVG: 2459600 -8.4643 -27.6239 -14.9992 -27.6239 10.4422 26.257 -14.9992 26.2569 30.7973 GPRESSAVG: 2459600 -7.2799 -26.9559 -14.1385 -27.4682 9.3479 27.4509 -14.1977 27.7794 31.3118 TIMING: 2459600 CPU: 7127.66, 0.00289305/step Wall: 7127.66, 0.00289305/step, 2.04153 hours remaining, 209.691406 MB of memory in use. ENERGY: 2459600 727.8076 2133.0115 1945.1424 126.3256 -205904.5597 17810.8545 0.0000 0.0000 34389.2927 -148772.1254 300.3302 -183161.4181 -148669.0736 300.2064 105.2418 133.8161 556893.3697 10.9251 11.1266 PRESSURE: 2459800 123.602 24.5435 167.889 24.5429 227.916 -237.448 167.889 -237.448 407.027 GPRESSURE: 2459800 202.271 41.3911 134.56 -61.842 193.765 -269.731 248.785 -106.189 457.178 PRESSAVG: 2459800 2.10429 -6.61389 43.9369 -6.61397 -1.2302 -29.612 43.937 -29.612 -5.90846 GPRESSAVG: 2459800 3.08695 -6.3022 43.0504 -7.61618 -0.901304 -27.6177 44.8898 -32.1397 -7.03863 TIMING: 2459800 CPU: 7128.24, 0.00287744/step Wall: 7128.24, 0.00287744/step, 2.03036 hours remaining, 209.691406 MB of memory in use. ENERGY: 2459800 727.8920 2166.2091 1950.2695 109.7349 -206328.3879 18148.8726 0.0000 0.0000 34237.7265 -148987.6834 299.0066 -183225.4099 -148897.1696 299.5308 252.8485 284.4048 556474.2511 -1.6781 -1.6177 PRESSURE: 2460000 -201.401 24.8449 223.097 24.845 -131.396 -80.0228 223.097 -80.0242 -331.72 GPRESSURE: 2460000 -224.588 0.949687 157.023 129.216 -76.7995 116.83 273.73 -108.048 -269.201 PRESSAVG: 2460000 22.5469 21.2974 39.945 21.2974 -15.0495 47.355 39.945 47.355 38.2187 GPRESSAVG: 2460000 22.024 19.8818 39.9862 22.5198 -15.4619 45.057 40.0966 48.653 38.432 TIMING: 2460000 CPU: 7128.81, 0.00288081/step Wall: 7128.81, 0.00288081/step, 2.03257 hours remaining, 209.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2460000 742.1458 2130.1362 1942.8972 114.9364 -205618.8076 17379.6906 0.0000 0.0000 34365.4278 -148943.5736 300.1218 -183309.0014 -148849.6946 300.0391 -221.5059 -190.1962 560477.0802 15.2387 14.9980 PRESSURE: 2460200 81.259 -119.682 -54.4227 -119.681 93.9491 -1.8677 -54.4234 -1.86692 -172.257 GPRESSURE: 2460200 62.9036 -153.092 -71.1684 -49.0411 146.569 46.0055 -60.8348 -41.2014 -106.988 PRESSAVG: 2460200 20.8406 21.7623 18.3443 21.7622 -1.35895 7.56837 18.3443 7.56841 -34.8157 GPRESSAVG: 2460200 20.7603 23.775 19.5153 21.6173 -0.239407 6.88066 16.2001 8.78598 -35.7783 TIMING: 2460200 CPU: 7129.39, 0.00289152/step Wall: 7129.39, 0.00289152/step, 2.03997 hours remaining, 209.691406 MB of memory in use. ENERGY: 2460200 716.9899 2097.4992 1978.9726 108.8759 -206006.5975 17886.6895 0.0000 0.0000 34217.3690 -149000.2015 298.8288 -183217.5705 -148908.3843 299.5466 0.9835 34.1617 560305.2149 -5.1114 -5.0858 LDB: ============= START OF LOAD BALANCING ============== 7132.78 LDB: ============== END OF LOAD BALANCING =============== 7132.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7132.78 LDB: ============= START OF LOAD BALANCING ============== 7133.07 LDB: Largest compute 4820 load 0.023015 is 19.5% of average load 0.117893 LDB: Average compute 0.001755 is 1.5% of average load 0.117893 LDB: TIME 7133.07 LOAD: AVG 0.117893 MAX 0.181967 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.008 MB LDB: TIME 7133.07 LOAD: AVG 0.117893 MAX 0.181967 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: TIME 7133.07 LOAD: AVG 0.117893 MAX 0.181967 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7133.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7133.08 PRESSURE: 2460400 -349.861 98.3462 38.2905 98.3464 -400.183 167.09 38.2901 167.091 -165.83 GPRESSURE: 2460400 -316.768 57.1143 -31.8918 70.8791 -366.188 237.281 42.3029 119.94 -139.817 PRESSAVG: 2460400 27.5371 6.51585 -56.477 6.51592 -10.7334 -6.45512 -56.477 -6.45504 -45.0054 GPRESSAVG: 2460400 26.9024 6.17718 -57.902 5.12153 -11.2841 -6.67683 -54.2304 -7.84495 -43.627 TIMING: 2460400 CPU: 7129.98, 0.00295205/step Wall: 7129.98, 0.00295205/step, 2.08251 hours remaining, 209.550781 MB of memory in use. ENERGY: 2460400 755.3238 2103.7562 1956.1723 132.2648 -205223.4712 17220.2909 0.0000 0.0000 34167.3171 -148888.3461 298.3917 -183055.6632 -148785.8993 298.9047 -305.2912 -274.2578 561214.7678 -9.4006 -9.3362 PRESSURE: 2460600 145.074 -88.8589 -111.062 -88.8587 210.849 -60.8861 -111.062 -60.8864 -157.687 GPRESSURE: 2460600 255.165 -216.094 -32.9519 -91.311 208.662 -44.7616 -69.9897 -62.8864 -166.198 PRESSAVG: 2460600 -26.6129 -35.3065 19.3175 -35.3064 3.83817 -17.107 19.3175 -17.107 7.10518 GPRESSAVG: 2460600 -26.9013 -37.8608 18.5596 -33.7261 3.42658 -15.9462 18.6728 -17.548 7.12138 TIMING: 2460600 CPU: 7130.56, 0.0028954/step Wall: 7130.56, 0.0028954/step, 2.04238 hours remaining, 209.550781 MB of memory in use. ENERGY: 2460600 787.1309 2132.2771 1980.2698 113.9098 -206390.8212 18111.5728 0.0000 0.0000 34335.9137 -148929.7471 299.8641 -183265.6608 -148832.3993 299.1013 66.0785 99.2096 558633.8963 -5.2232 -5.4511 PRESSURE: 2460800 180.966 -63.6041 -54.6562 -63.6028 81.3172 -27.3297 -54.6556 -27.3278 71.7099 GPRESSURE: 2460800 183.145 -54.7009 21.898 -87.187 153.071 -20.2231 -77.891 -87.9939 84.2989 PRESSAVG: 2460800 -17.2481 49.34 3.14774 49.34 59.1169 -43.8752 3.14765 -43.8751 -47.6563 GPRESSAVG: 2460800 -16.8257 50.8344 3.7992 49.5089 58.5609 -44.337 3.81935 -44.008 -47.7921 TIMING: 2460800 CPU: 7131.14, 0.00288606/step Wall: 7131.14, 0.00288606/step, 2.03564 hours remaining, 209.550781 MB of memory in use. ENERGY: 2460800 798.3371 2074.9484 1982.3519 118.7790 -206505.6595 18121.8528 0.0000 0.0000 34393.3719 -149016.0184 300.3659 -183409.3903 -148920.9952 299.9915 111.3310 140.1718 558488.6852 -1.9292 -2.0189 PRESSURE: 2461000 90.7204 -48.6584 236.834 -48.6582 106.007 9.45328 236.834 9.45279 117.22 GPRESSURE: 2461000 150.147 23.6497 215.311 -122.221 116.148 71.152 236.498 -33.3679 128.031 PRESSAVG: 2461000 23.9318 56.4706 -56.784 56.4705 7.95973 -1.24132 -56.7841 -1.24127 -42.2281 GPRESSAVG: 2461000 24.396 56.7318 -54.5169 54.6922 9.68912 -1.33539 -59.734 -0.527071 -44.1634 TIMING: 2461000 CPU: 7131.71, 0.00288248/step Wall: 7131.71, 0.00288248/step, 2.03295 hours remaining, 209.550781 MB of memory in use. ENERGY: 2461000 774.3869 2075.4357 1940.8514 108.7730 -206813.2793 18184.3155 0.0000 0.0000 34503.7619 -149225.7548 301.3299 -183729.5167 -149125.7090 299.1641 104.6490 131.4422 558118.9848 -3.4455 -3.3594 PRESSURE: 2461200 -106.701 8.40966 4.04298 8.40956 206.222 -99.0203 4.04259 -99.0219 24.0698 GPRESSURE: 2461200 -86.5848 -23.3319 -74.7399 -24.1053 237.65 -122.898 10.8361 -102.564 66.9834 PRESSAVG: 2461200 -8.18542 5.60057 -47.1095 5.60054 24.976 3.89232 -47.1095 3.89234 27.1563 GPRESSAVG: 2461200 -8.3675 6.36873 -48.4216 5.13772 25.2735 4.25119 -43.167 3.6559 27.0091 TIMING: 2461200 CPU: 7132.29, 0.00288382/step Wall: 7132.29, 0.00288382/step, 2.03373 hours remaining, 209.550781 MB of memory in use. ENERGY: 2461200 758.5198 2045.6053 1947.3249 118.5807 -206568.7015 18026.1107 0.0000 0.0000 34377.1510 -149295.4091 300.2242 -183672.5601 -149194.8589 299.5755 41.1971 72.6828 557437.7666 14.6490 14.6383 PRESSURE: 2461400 -187.146 90.7772 -36.6422 90.7763 -22.7393 -93.8923 -36.6427 -93.8925 34.8206 GPRESSURE: 2461400 -134.419 30.887 -6.67467 72.2171 -17.8563 52.1763 -18.5067 -154.894 75.2209 PRESSAVG: 2461400 18.3579 14.1191 -21.322 14.1191 35.9386 -3.51515 -21.322 -3.51509 -28.1788 GPRESSAVG: 2461400 17.3068 13.1814 -20.9373 13.616 35.1092 -3.71782 -23.7267 -3.7863 -26.4309 TIMING: 2461400 CPU: 7132.87, 0.00287137/step Wall: 7132.87, 0.00287137/step, 2.02479 hours remaining, 209.550781 MB of memory in use. ENERGY: 2461400 789.1803 2071.5769 1945.4892 114.0682 -206169.4786 17759.5526 0.0000 0.0000 34135.7420 -149353.8693 298.1159 -183489.6113 -149255.2499 299.1801 -58.3548 -25.6848 557399.4650 8.7059 8.6617 PRESSURE: 2461600 -75.9148 21.5318 -7.41208 21.5326 80.5437 206.426 -7.41167 206.426 -97.7346 GPRESSURE: 2461600 -29.2001 -38.9558 -12.487 22.0188 68.5131 128.499 -81.7166 240.788 -31.032 PRESSAVG: 2461600 11.4425 10.3181 -35.4103 10.3181 3.01651 -2.29857 -35.4103 -2.29858 -13.8065 GPRESSAVG: 2461600 12.1395 11.1087 -34.6062 11.6917 4.05558 -1.82199 -35.3586 -2.37177 -15.5625 TIMING: 2461600 CPU: 7133.45, 0.00290325/step Wall: 7133.45, 0.00290325/step, 2.04711 hours remaining, 209.550781 MB of memory in use. ENERGY: 2461600 730.7376 2028.1605 1963.6241 112.3076 -206101.7073 17673.1089 0.0000 0.0000 34235.7729 -149357.9956 298.9895 -183593.7685 -149269.3864 299.0635 -31.0352 2.7603 556311.1345 0.2175 0.2109 PRESSURE: 2461800 62.2437 -94.3398 28.3536 -94.3389 60.2926 -186.758 28.354 -186.757 -75.5642 GPRESSURE: 2461800 120.922 5.0617 -34.1833 -107.8 73.3389 -228.046 43.1912 -251.691 -58.2507 PRESSAVG: 2461800 28.9052 37.9924 -4.25522 37.9923 -8.10465 -17.2703 -4.25514 -17.2703 -17.0263 GPRESSAVG: 2461800 28.7186 38.221 -3.59748 38.4282 -9.72523 -16.1784 -5.08347 -16.7261 -15.5176 TIMING: 2461800 CPU: 7134.02, 0.00288579/step Wall: 7134.02, 0.00288579/step, 2.03464 hours remaining, 209.832031 MB of memory in use. ENERGY: 2461800 764.0288 2123.3764 1949.7267 110.7321 -206507.7561 17826.8516 0.0000 0.0000 34379.5684 -149353.4721 300.2453 -183733.0405 -149258.9932 299.0786 15.6574 45.3368 556307.3642 1.2581 1.1586 PRESSURE: 2462000 -49.2 31.9747 -31.8028 31.9742 -110.196 -156.836 -31.8042 -156.835 -124.02 GPRESSURE: 2462000 13.7657 55.1829 6.0377 -41.5373 -97.0411 -121.752 -69.5864 -205.389 -115.831 PRESSAVG: 2462000 -35.8437 -5.42572 -64.491 -5.42566 -80.8914 -73.9897 -64.4911 -73.9899 61.3567 GPRESSAVG: 2462000 -35.3476 -6.49216 -66.0295 -6.50133 -80.27 -76.2692 -64.0125 -74.0872 60.8115 TIMING: 2462000 CPU: 7134.61, 0.00291016/step Wall: 7134.61, 0.00291016/step, 2.05166 hours remaining, 209.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2462000 758.8130 2085.1803 1983.5366 105.4485 -206067.9107 17649.1228 0.0000 0.0000 34204.0482 -149281.7613 298.7125 -183485.8095 -149181.7085 298.9653 -94.4721 -66.3687 556848.0485 -18.4594 -18.2687 PRESSURE: 2462200 -214.409 -79.5837 45.9897 -79.5831 -384.204 30.739 45.9897 30.7402 -24.7405 GPRESSURE: 2462200 -145.474 -48.9441 21.1293 -70.9833 -395.764 -45.6615 95.649 10.7357 18.6151 PRESSAVG: 2462200 -38.3998 -58.1773 -7.66959 -58.1773 30.9711 4.75228 -7.66953 4.75243 13.6227 GPRESSAVG: 2462200 -37.99 -58.3415 -9.26943 -57.5615 31.2225 6.68854 -7.39707 4.30852 13.0154 TIMING: 2462200 CPU: 7135.18, 0.00288305/step Wall: 7135.18, 0.00288304/step, 2.03239 hours remaining, 209.832031 MB of memory in use. ENERGY: 2462200 782.9634 2165.8660 1973.8026 127.7392 -206041.2961 17456.8733 0.0000 0.0000 34304.0850 -149229.9666 299.5861 -183534.0516 -149135.8795 299.5778 -207.7846 -174.2076 557030.1195 2.0647 2.0826 PRESSURE: 2462400 -55.0166 -34.6417 -10.8866 -34.6421 -196.134 -103.928 -10.8873 -103.927 -332.106 GPRESSURE: 2462400 -30.4276 -129.436 17.2565 25.409 -169.145 -145.277 -49.1033 -105.227 -278.207 PRESSAVG: 2462400 -3.59628 -28.5866 -0.200011 -28.5866 -23.6564 -55.0284 -0.199988 -55.0284 2.1547 GPRESSAVG: 2462400 -4.70451 -26.3189 1.227 -29.724 -23.7309 -55.8704 -1.47554 -53.0387 2.58386 TIMING: 2462400 CPU: 7135.77, 0.00293526/step Wall: 7135.77, 0.00293527/step, 2.06904 hours remaining, 209.832031 MB of memory in use. ENERGY: 2462400 789.7069 2068.2988 1968.4081 113.7567 -205785.6554 17574.4707 0.0000 0.0000 34042.3430 -149228.6713 297.3002 -183271.0143 -149134.7550 299.5850 -194.4190 -159.2601 558495.4787 -8.3660 -8.6172 PRESSURE: 2462600 20.6267 56.5907 -51.6705 56.5904 -43.285 -101.138 -51.6713 -101.139 -199.12 GPRESSURE: 2462600 -43.8134 60.4223 -1.97135 -25.0767 58.299 -176.457 -157.243 -21.6367 -134.269 PRESSAVG: 2462600 -2.86352 50.2036 -18.9832 50.2037 47.4721 -9.17742 -18.9832 -9.17737 -93.4898 GPRESSAVG: 2462600 -3.04663 48.7873 -18.9365 51.0665 46.2637 -10.0692 -17.6881 -11.2824 -92.0751 TIMING: 2462600 CPU: 7136.35, 0.00288253/step Wall: 7136.35, 0.00288253/step, 2.0317 hours remaining, 209.832031 MB of memory in use. ENERGY: 2462600 728.7267 2110.2742 1986.4665 102.3572 -206066.6388 17577.7676 0.0000 0.0000 34159.0919 -149401.9547 298.3198 -183561.0466 -149306.2435 299.1069 -73.9260 -39.9277 557471.7556 -16.2938 -16.2860 PRESSURE: 2462800 -88.1323 -196.77 161.969 -196.77 -81.4636 23.4897 161.97 23.4888 -74.8874 GPRESSURE: 2462800 -22.6685 -191.002 164.619 -101.027 -70.8454 46.6503 117.696 39.3784 -61.8883 PRESSAVG: 2462800 13.7218 4.50797 -25.4529 4.50805 31.7024 -54.2216 -25.4529 -54.2216 -26.3703 GPRESSAVG: 2462800 13.9447 4.41685 -23.8814 4.05219 32.2111 -52.0097 -27.0476 -54.1184 -26.8798 TIMING: 2462800 CPU: 7136.93, 0.00290435/step Wall: 7136.93, 0.00290435/step, 2.04692 hours remaining, 209.832031 MB of memory in use. ENERGY: 2462800 777.0648 2067.9824 1948.3867 124.1433 -206490.0558 17815.3527 0.0000 0.0000 34280.3486 -149476.7773 299.3788 -183757.1259 -149382.9116 298.5225 -81.4944 -51.8007 557477.6843 6.3513 6.4253 PRESSURE: 2463000 -61.3142 -40.2768 -91.3733 -40.2773 -15.506 -16.7803 -91.374 -16.7789 -133.604 GPRESSURE: 2463000 -11.0442 -122.284 7.30676 88.125 -48.8238 -0.708799 -114.832 -16.2851 -67.9127 PRESSAVG: 2463000 46.8208 -11.1296 -14.0131 -11.1296 -18.7927 26.1682 -14.0132 26.1681 -28.853 GPRESSAVG: 2463000 47.3543 -10.9149 -16.8883 -11.0879 -19.2859 23.5765 -11.2569 28.6706 -29.0187 TIMING: 2463000 CPU: 7137.51, 0.00290835/step Wall: 7137.51, 0.00290835/step, 2.04958 hours remaining, 209.832031 MB of memory in use. ENERGY: 2463000 730.7226 2115.6935 1968.8104 123.3745 -206296.1135 17799.0287 0.0000 0.0000 34013.5805 -149544.9033 297.0491 -183558.4838 -149454.2267 298.1777 -70.1415 -42.5936 558155.0945 -0.2750 -0.3168 PRESSURE: 2463200 -188.633 20.4068 41.3176 20.4057 26.41 -263.789 41.3178 -263.788 125.98 GPRESSURE: 2463200 -141.955 -10.2486 89.6532 -62.9588 86.0911 -267.533 18.9825 -274.143 140.613 PRESSAVG: 2463200 -7.7318 56.7259 -8.89227 56.7259 -6.21443 4.87363 -8.89219 4.87348 -1.73111 GPRESSAVG: 2463200 -7.86148 56.7375 -8.53341 58.3718 -6.05465 5.71551 -9.17669 3.41822 -1.66055 TIMING: 2463200 CPU: 7138.09, 0.00289244/step Wall: 7138.09, 0.00289244/step, 2.03821 hours remaining, 209.832031 MB of memory in use. ENERGY: 2463200 714.0205 2071.5460 1968.0180 115.9191 -206248.8620 17680.1750 0.0000 0.0000 34175.9473 -149523.2361 298.4670 -183699.1834 -149416.2805 297.8156 -12.0807 28.2498 557920.3890 -5.2258 -5.1922 PRESSURE: 2463400 123.509 -25.0487 63.8228 -25.0486 162.901 67.3374 63.8223 67.3364 82.9965 GPRESSURE: 2463400 173.1 -23.354 87.7444 10.1461 147.656 79.5633 65.7027 73.5775 143.709 PRESSAVG: 2463400 -33.468 19.3074 -13.6415 19.3074 38.1682 -14.0039 -13.6416 -14.0038 -1.13868 GPRESSAVG: 2463400 -34.5762 17.4836 -13.5533 16.4971 38.9649 -12.7109 -14.1234 -12.8874 -1.03019 TIMING: 2463400 CPU: 7138.67, 0.00289978/step Wall: 7138.67, 0.00289978/step, 2.04322 hours remaining, 209.832031 MB of memory in use. ENERGY: 2463400 727.6664 2081.4897 1971.1573 111.7234 -206735.0633 18016.3076 0.0000 0.0000 34310.0268 -149516.6921 299.6380 -183826.7188 -149418.8174 297.6063 123.1355 154.8216 556893.4576 1.1872 1.1195 PRESSURE: 2463600 27.6014 1.69925 -28.8603 1.69953 113.948 67.5122 -28.8604 67.5109 -53.3843 GPRESSURE: 2463600 73.0311 -39.9614 -140.816 -8.85877 136.402 -29.4935 28.295 0.248802 -14.5865 PRESSAVG: 2463600 20.9308 -7.52044 -30.3092 -7.52034 8.10178 3.10161 -30.3092 3.10168 -23.5852 GPRESSAVG: 2463600 20.905 -3.66951 -30.4915 -7.35359 8.57475 2.11105 -28.6451 1.47745 -24.8386 TIMING: 2463600 CPU: 7139.25, 0.00290759/step Wall: 7139.25, 0.00290759/step, 2.04856 hours remaining, 209.832031 MB of memory in use. ENERGY: 2463600 724.9424 2028.9943 1982.4501 113.4043 -206414.9733 17947.7076 0.0000 0.0000 34377.1832 -149240.2913 300.2245 -183617.4745 -149140.1237 299.3971 29.3885 64.9490 557575.2069 1.8158 1.5470 PRESSURE: 2463800 190.767 -40.1017 -101.286 -40.1009 165.727 2.59887 -101.287 2.59839 112.871 GPRESSURE: 2463800 259.655 -25.641 -84.5817 -4.86812 161.168 -37.9327 -67.5967 -8.22609 156.082 PRESSAVG: 2463800 -21.223 -30.1357 24.5027 -30.1356 57.5527 -47.7218 24.5026 -47.7218 -26.7608 GPRESSAVG: 2463800 -19.6393 -32.1743 23.9638 -30.4384 55.5973 -47.6807 24.1895 -48.1585 -26.1261 TIMING: 2463800 CPU: 7139.83, 0.0029192/step Wall: 7139.83, 0.0029192/step, 2.05657 hours remaining, 209.832031 MB of memory in use. ENERGY: 2463800 721.9078 2046.4855 1959.3803 118.1454 -206465.8661 17961.1645 0.0000 0.0000 34305.1535 -149353.6291 299.5954 -183658.7826 -149251.1384 298.9771 156.4550 192.3019 556645.6715 3.1896 3.2773 PRESSURE: 2464000 63.3611 -53.8658 85.6702 -53.8642 51.8903 8.98245 85.6689 8.98212 234.47 GPRESSURE: 2464000 170.163 -4.21118 29.6109 47.6964 70.3708 -40.457 50.8864 34.7944 220.307 PRESSAVG: 2464000 -0.903878 -11.1864 -30.8415 -11.1863 51.2274 -2.33513 -30.8415 -2.33506 -58.6475 GPRESSAVG: 2464000 -0.586539 -10.5919 -30.4515 -8.91915 51.2929 -2.56968 -31.9882 -1.66793 -59.5681 TIMING: 2464000 CPU: 7140.41, 0.00290091/step Wall: 7140.41, 0.00290091/step, 2.04353 hours remaining, 209.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2464000 718.0839 2139.5208 1944.8957 116.2377 -206492.1412 18064.7978 0.0000 0.0000 34204.7261 -149303.8790 298.7184 -183508.6051 -149211.8007 299.0191 116.5739 153.6134 556674.8838 -2.7747 -2.9539 PRESSURE: 2464200 94.7719 -49.466 106.845 -49.4642 38.2901 -151.867 106.843 -151.867 0.498438 GPRESSURE: 2464200 132.249 -89.6477 85.9679 -58.4814 67.6303 -156.245 89.0653 -143.298 29.9266 PRESSAVG: 2464200 0.0209144 -1.98743 -19.0782 -1.98727 0.140354 -38.7746 -19.0781 -38.7746 49.7337 GPRESSAVG: 2464200 -0.649948 -2.88342 -18.5457 -3.41932 0.490344 -38.4244 -18.2288 -39.4806 49.6666 TIMING: 2464200 CPU: 7140.99, 0.00287205/step Wall: 7140.99, 0.00287205/step, 2.02304 hours remaining, 209.832031 MB of memory in use. ENERGY: 2464200 721.1783 2105.8650 1949.7556 122.5781 -206346.2223 17867.3697 0.0000 0.0000 34185.1539 -149394.3216 298.5475 -183579.4755 -149296.1802 299.2449 44.5202 76.6019 556652.1052 16.6317 16.5023 LDB: ============= START OF LOAD BALANCING ============== 7144.37 LDB: ============== END OF LOAD BALANCING =============== 7144.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7144.37 LDB: ============= START OF LOAD BALANCING ============== 7144.66 LDB: Largest compute 4820 load 0.024459 is 20.7% of average load 0.117988 LDB: Average compute 0.001748 is 1.5% of average load 0.117988 LDB: TIME 7144.67 LOAD: AVG 0.117988 MAX 0.180701 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.41 MB LDB: TIME 7144.67 LOAD: AVG 0.117988 MAX 0.180701 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.41 MB LDB: TIME 7144.67 LOAD: AVG 0.117988 MAX 0.180701 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.41 MB LDB: ============== END OF LOAD BALANCING =============== 7144.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7144.67 PRESSURE: 2464400 14.0689 -53.0774 114.461 -53.0768 10.7993 -74.0426 114.46 -74.0414 55.5509 GPRESSURE: 2464400 70.0212 -102.974 86.4837 -46.8667 87.4405 0.0634926 164.788 -89.8234 24.2223 PRESSAVG: 2464400 24.4002 -38.9652 -8.18078 -38.9651 -11.3683 -116.689 -8.18079 -116.689 6.00532 GPRESSAVG: 2464400 23.9605 -39.3142 -7.09439 -39.227 -10.3724 -115.449 -8.47505 -117.103 6.10991 TIMING: 2464400 CPU: 7141.58, 0.00295091/step Wall: 7141.58, 0.00295091/step, 2.07842 hours remaining, 211.503906 MB of memory in use. ENERGY: 2464400 710.4396 2056.3727 1956.1824 106.6599 -206029.0267 17682.4970 0.0000 0.0000 34298.6660 -149218.2092 299.5388 -183516.8752 -149119.3618 298.5846 26.8064 60.5613 557201.1248 6.3457 6.5660 PRESSURE: 2464600 32.6516 -191.143 -52.3017 -191.144 12.6339 25.5705 -52.3027 25.5701 -109.755 GPRESSURE: 2464600 114.782 -193.582 -81.2537 -79.0864 -1.90249 2.08619 1.82446 3.90637 -74.3873 PRESSAVG: 2464600 -4.00464 -13.8776 17.2732 -13.8775 2.60599 -24.6858 17.2731 -24.6859 8.04919 GPRESSAVG: 2464600 -3.44818 -12.2249 18.0282 -14.4533 2.14583 -26.4378 16.0477 -23.0254 8.39591 TIMING: 2464600 CPU: 7142.16, 0.00290892/step Wall: 7142.16, 0.00290892/step, 2.04869 hours remaining, 211.707031 MB of memory in use. ENERGY: 2464600 732.7379 2035.2142 1965.8359 114.7027 -205956.4819 17734.8447 0.0000 0.0000 34101.7672 -149271.3793 297.8192 -183373.1465 -149175.8598 299.3674 -21.4898 12.8308 556718.0144 2.2168 2.3645 PRESSURE: 2464800 27.0215 -69.4322 -73.5216 -69.4314 -113.288 -166.333 -73.5219 -166.332 -141.969 GPRESSURE: 2464800 53.3019 -59.7872 19.113 -6.81775 -152.109 -89.0876 -157.275 -289.171 -24.8276 PRESSAVG: 2464800 59.3781 -26.9276 -1.1635 -26.9276 -64.4556 55.9007 -1.16351 55.9008 -14.9043 GPRESSAVG: 2464800 59.0422 -28.6362 -2.39664 -26.1159 -64.076 56.987 -0.688387 54.1357 -14.6407 TIMING: 2464800 CPU: 7142.74, 0.00292171/step Wall: 7142.74, 0.00292171/step, 2.05753 hours remaining, 211.707031 MB of memory in use. ENERGY: 2464800 756.8171 2018.0688 1958.4530 118.8243 -205983.5957 17619.2581 0.0000 0.0000 34175.2768 -149336.8976 298.4612 -183512.1744 -149245.7072 298.8771 -76.0786 -41.2116 557648.2144 -6.6606 -6.5582 PRESSURE: 2465000 -81.2059 -52.2536 -50.9967 -52.2531 -11.4142 22.2947 -50.996 22.2971 363.358 GPRESSURE: 2465000 -1.56932 -109.472 -10.3236 -36.0958 24.0802 3.62831 -25.903 15.2702 341.929 PRESSAVG: 2465000 65.8111 -16.8113 29.5356 -16.8113 -52.2504 55.3531 29.5356 55.3531 -10.146 GPRESSAVG: 2465000 65.8394 -14.5581 29.5972 -17.3394 -52.4495 55.8012 29.6291 58.1693 -9.84662 TIMING: 2465000 CPU: 7143.33, 0.00294493/step Wall: 7143.33, 0.00294493/step, 2.07372 hours remaining, 211.707031 MB of memory in use. ENERGY: 2465000 725.7566 2108.4217 1949.7302 107.0619 -206329.4276 17787.2166 0.0000 0.0000 34265.0989 -149386.1416 299.2456 -183651.2405 -149291.4746 298.4673 90.2461 121.4800 556140.7929 1.1382 1.1811 PRESSURE: 2465200 51.254 -16.124 -16.4299 -16.1233 -116.324 247.793 -16.43 247.793 -307.857 GPRESSURE: 2465200 100.466 -58.7218 -64.7475 -50.1337 -95.1925 184.089 -52.5231 309.598 -259.884 PRESSAVG: 2465200 -24.7035 -22.6068 14.9329 -22.6068 -19.012 81.5736 14.9328 81.5736 2.58381 GPRESSAVG: 2465200 -23.9055 -24.1969 14.3859 -20.3023 -19.4493 80.8046 15.1063 80.9597 3.04303 TIMING: 2465200 CPU: 7143.92, 0.0029215/step Wall: 7143.92, 0.0029215/step, 2.05706 hours remaining, 211.707031 MB of memory in use. ENERGY: 2465200 713.0627 2101.8119 1941.5547 123.9708 -205453.7395 17318.9510 0.0000 0.0000 33928.7284 -149325.6601 296.3080 -183254.3885 -149230.8910 298.5697 -124.3088 -84.8700 556950.2536 -13.7105 -13.4373 PRESSURE: 2465400 -14.1244 -60.2405 29.2444 -60.2404 -81.5168 -167.822 29.2444 -167.821 243.98 GPRESSURE: 2465400 -29.5022 -139.451 -18.8648 -22.5308 -2.86641 -79.8604 -2.82904 -167.587 281.859 PRESSAVG: 2465400 25.4069 -4.72011 -10.8131 -4.72013 -11.6664 69.5917 -10.813 69.5917 9.56323 GPRESSAVG: 2465400 24.7029 -4.87146 -9.61206 -4.69175 -10.2087 69.7646 -12.341 69.5931 9.0839 TIMING: 2465400 CPU: 7144.5, 0.00292358/step Wall: 7144.5, 0.00292358/step, 2.05836 hours remaining, 211.707031 MB of memory in use. ENERGY: 2465400 724.9295 2097.2994 1934.4775 109.7208 -206079.4067 17757.7048 0.0000 0.0000 34231.8234 -149223.4513 298.9550 -183455.2747 -149124.7792 299.0844 49.4462 83.1634 557053.0838 7.7679 7.8594 PRESSURE: 2465600 -220.475 136.895 -86.2473 136.894 -311.293 39.0922 -86.2481 39.0922 -556.384 GPRESSURE: 2465600 -220.367 88.9575 -13.2556 133.335 -252.678 -33.5532 -147.237 138.537 -519.435 PRESSAVG: 2465600 -64.3859 18.0322 11.7199 18.0323 10.8497 -18.4258 11.7199 -18.4258 -11.1472 GPRESSAVG: 2465600 -65.5768 18.8764 10.0332 16.7358 11.3299 -19.5595 13.3273 -17.8991 -10.5904 TIMING: 2465600 CPU: 7145.08, 0.00289192/step Wall: 7145.08, 0.00289192/step, 2.03591 hours remaining, 211.707031 MB of memory in use. ENERGY: 2465600 742.1977 2031.6496 1970.6561 108.7259 -205626.8856 17155.2349 0.0000 0.0000 34167.1990 -149451.2225 298.3906 -183618.4215 -149348.8431 299.1830 -362.7173 -330.8265 558233.4768 -21.5611 -21.6125 PRESSURE: 2465800 -127.619 66.5761 187.145 66.578 24.516 24.9045 187.144 24.9031 -51.989 GPRESSURE: 2465800 -65.7457 103.993 154.575 38.1325 30.5422 -0.856285 207.794 46.5823 -12.6498 PRESSAVG: 2465800 8.3902 12.0318 38.4806 12.0318 -25.925 28.2115 38.4806 28.2116 16.4465 GPRESSAVG: 2465800 9.52807 12.5335 38.5804 11.5465 -26.5327 30.6149 37.9067 27.9931 16.1255 TIMING: 2465800 CPU: 7145.66, 0.00288459/step Wall: 7145.66, 0.00288459/step, 2.03059 hours remaining, 211.707031 MB of memory in use. ENERGY: 2465800 694.3281 2035.0990 1952.9188 116.2856 -206241.5040 17744.8065 0.0000 0.0000 34160.2393 -149537.8267 298.3299 -183698.0660 -149439.4560 298.3787 -51.6974 -15.9511 556616.6111 -0.3628 -0.2931 PRESSURE: 2466000 -161.144 65.4558 -27.1609 65.4568 6.66992 50.5797 -27.1605 50.5796 92.0369 GPRESSURE: 2466000 -92.1419 111.231 -66.0858 23.0784 26.897 79.6123 -90.919 64.3052 102.501 PRESSAVG: 2466000 -2.00529 45.9281 9.93269 45.9281 -55.5901 9.91474 9.93271 9.91479 39.1161 GPRESSAVG: 2466000 -1.68531 43.8696 11.152 46.736 -56.3233 9.81438 9.95643 9.77398 39.9394 TIMING: 2466000 CPU: 7146.24, 0.0029137/step Wall: 7146.24, 0.00291369/step, 2.05092 hours remaining, 211.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2466000 714.4206 2111.5322 1919.0416 110.8870 -206365.7484 17927.0738 0.0000 0.0000 34339.8053 -149242.9880 299.8981 -183582.7933 -149144.7716 298.9056 -20.8124 12.4187 557660.9082 -6.1598 -6.0230 PRESSURE: 2466200 -50.6929 -82.1741 -124.056 -82.1754 64.2131 170.341 -124.055 170.341 -13.1966 GPRESSURE: 2466200 28.4679 -34.3332 -35.303 -67.6687 56.1381 185.554 -129.387 130.333 2.64886 PRESSAVG: 2466200 -24.3184 23.1606 -29.7117 23.1607 33.2396 -11.7742 -29.7116 -11.7741 40.5723 GPRESSAVG: 2466200 -24.9145 23.7607 -31.4608 23.7343 33.2654 -12.4188 -30.6515 -12.6884 41.1841 TIMING: 2466200 CPU: 7146.82, 0.00290251/step Wall: 7146.82, 0.00290251/step, 2.04289 hours remaining, 211.707031 MB of memory in use. ENERGY: 2466200 726.3553 2101.3046 1955.1780 116.0537 -206444.1106 17818.7278 0.0000 0.0000 34297.2971 -149429.1941 299.5268 -183726.4912 -149334.3206 299.0217 0.1079 29.0850 557261.0680 16.4978 16.5117 PRESSURE: 2466400 -216.591 76.8944 45.111 76.895 174.918 -29.8398 45.1109 -29.8382 194.351 GPRESSURE: 2466400 -161.32 81.9415 83.4942 -15.6123 204.085 -104.04 7.24656 -21.5084 200.16 PRESSAVG: 2466400 -35.3966 53.2933 20.5961 53.2934 9.64842 -30.0807 20.5961 -30.0808 45.8741 GPRESSAVG: 2466400 -36.4845 55.081 20.6502 51.0492 11.4335 -29.6357 21.2653 -29.9046 45.3367 TIMING: 2466400 CPU: 7147.4, 0.00290133/step Wall: 7147.4, 0.00290133/step, 2.04189 hours remaining, 211.707031 MB of memory in use. ENERGY: 2466400 730.9942 2104.4453 1951.2503 113.3993 -206264.5662 17866.2304 0.0000 0.0000 34302.3400 -149195.9066 299.5709 -183498.2466 -149106.8114 299.1218 50.8928 80.9749 558226.9152 6.7087 6.7619 PRESSURE: 2466600 84.16 56.9788 -109.758 56.9784 -179.219 33.8928 -109.758 33.8925 272.819 GPRESSURE: 2466600 118.525 20.1983 -128.868 37.1216 -185.724 13.4829 -141.158 -55.1927 342.982 PRESSAVG: 2466600 -48.9623 3.18781 -6.16838 3.18785 -8.68873 -22.438 -6.1685 -22.4381 86.9191 GPRESSAVG: 2466600 -47.551 3.16828 -4.73377 2.67794 -9.35154 -22.7372 -5.95571 -20.4462 86.3423 TIMING: 2466600 CPU: 7147.98, 0.0028926/step Wall: 7147.98, 0.0028926/step, 2.03559 hours remaining, 211.707031 MB of memory in use. ENERGY: 2466600 743.3990 2090.0818 1942.7335 125.7991 -206572.9513 17994.3246 0.0000 0.0000 34382.7097 -149293.9037 300.2728 -183676.6134 -149194.2784 299.3875 59.2533 91.9275 557559.9269 9.7560 9.8133 PRESSURE: 2466800 -166.014 -61.054 -19.8426 -61.0541 -61.1608 -2.29846 -19.8415 -2.2979 64.703 GPRESSURE: 2466800 -154.385 -67.2772 81.2357 -78.5566 -5.80247 -90.5337 -72.8573 69.4858 96.478 PRESSAVG: 2466800 -53.0405 52.862 -34.6213 52.8619 -31.3223 -20.5047 -34.6213 -20.5048 85.8347 GPRESSAVG: 2466800 -53.3096 53.8386 -35.4328 52.9625 -31.5174 -21.1339 -33.3613 -22.9745 86.3229 TIMING: 2466800 CPU: 7148.55, 0.00286441/step Wall: 7148.55, 0.00286441/step, 2.01559 hours remaining, 211.707031 MB of memory in use. ENERGY: 2466800 748.2487 2027.0895 1986.9933 101.7940 -206707.5408 18085.9922 0.0000 0.0000 34456.4699 -149300.9533 300.9169 -183757.4232 -149202.2519 299.5837 -54.1574 -21.2363 558937.2552 0.4906 0.4986 PRESSURE: 2467000 -34.8934 -111.314 -57.8749 -111.314 11.149 -194.91 -57.8755 -194.91 -48.7769 GPRESSURE: 2467000 -9.56753 -188.419 21.0177 -80.7608 36.4956 -266.349 -77.492 -142.448 -6.98777 PRESSAVG: 2467000 -48.4597 37.5925 3.79622 37.5924 29.4579 -54.0135 3.79621 -54.0134 -14.4807 GPRESSAVG: 2467000 -47.6216 37.2871 4.33018 37.2482 29.1708 -52.4904 2.2202 -52.5896 -15.3288 TIMING: 2467000 CPU: 7149.13, 0.00287872/step Wall: 7149.13, 0.00287872/step, 2.0255 hours remaining, 211.707031 MB of memory in use. ENERGY: 2467000 751.2417 2061.4889 1957.2810 108.0122 -206082.8933 17793.0373 0.0000 0.0000 34066.0703 -149345.7618 297.5075 -183411.8322 -149243.0192 299.4473 -24.1738 6.6468 558802.0850 -11.1608 -11.2598 PRESSURE: 2467200 27.1535 -87.1208 76.6616 -87.1203 246.519 -137.842 76.6622 -137.845 113.28 GPRESSURE: 2467200 65.3696 -81.9763 74.6283 -137.753 241.533 -154.304 -51.1192 -153.84 179.213 PRESSAVG: 2467200 -1.66005 -15.1935 43.7019 -15.1935 15.6592 -20.5384 43.7019 -20.5385 14.7232 GPRESSAVG: 2467200 -3.12352 -15.5161 43.1471 -14.9359 15.674 -19.181 44.1879 -22.0406 16.302 TIMING: 2467200 CPU: 7149.7, 0.0028868/step Wall: 7149.7, 0.0028868/step, 2.03102 hours remaining, 211.707031 MB of memory in use. ENERGY: 2467200 777.6419 2104.9550 1955.1271 117.7410 -206330.0788 18041.5968 0.0000 0.0000 34167.9874 -149165.0297 298.3975 -183333.0171 -149057.1783 299.1230 128.9841 162.0387 557769.0587 9.5741 9.6175 PRESSURE: 2467400 -77.4793 -204.036 -124.763 -204.036 -97.567 -93.7037 -124.764 -93.7037 191.528 GPRESSURE: 2467400 -22.8823 -80.7362 -146.096 -261.206 -78.8165 -82.3719 -10.041 -88.0522 211.294 PRESSAVG: 2467400 -0.0945813 -81.9156 0.323637 -81.9157 -26.1777 -48.8394 0.323513 -48.8393 52.4785 GPRESSAVG: 2467400 -0.248489 -82.6543 0.438329 -80.1204 -26.3422 -51.1743 1.85293 -47.9221 52.6829 TIMING: 2467400 CPU: 7150.28, 0.0028916/step Wall: 7150.28, 0.0028916/step, 2.03424 hours remaining, 211.707031 MB of memory in use. ENERGY: 2467400 754.2271 2119.9686 1983.5709 111.4351 -206181.3286 17928.6910 0.0000 0.0000 34148.1148 -149135.3212 298.2240 -183283.4361 -149039.1868 299.5643 5.4939 36.5318 558374.2554 8.7354 8.6974 PRESSURE: 2467600 -188.873 8.30177 -70.0097 8.30392 43.0183 90.2921 -70.0108 90.291 -103.71 GPRESSURE: 2467600 -140.511 57.5846 -74.6817 54.5086 15.1455 109.917 -36.4127 78.7611 -22.6324 PRESSAVG: 2467600 -3.601 5.45375 26.397 5.4538 -3.85014 17.1263 26.3971 17.1264 14.575 GPRESSAVG: 2467600 -3.34436 4.13748 27.8096 6.02262 -3.40257 17.084 24.1213 16.1293 14.0186 TIMING: 2467600 CPU: 7150.86, 0.00290759/step Wall: 7150.86, 0.00290759/step, 2.04533 hours remaining, 211.707031 MB of memory in use. ENERGY: 2467600 748.6896 2107.1454 1961.2134 126.4668 -206120.6559 17689.1689 0.0000 0.0000 34412.5200 -149075.4518 300.5331 -183487.9718 -148989.7230 300.2671 -83.1880 -49.3326 557853.5158 2.3746 2.4239 PRESSURE: 2467800 102.91 54.431 -257.935 54.4304 -2.05454 -132.354 -257.936 -132.355 -79.7597 GPRESSURE: 2467800 102.923 65.5538 -205.739 3.85218 67.6248 -91.1305 -284.767 -181.863 -59.7251 PRESSAVG: 2467800 -27.0083 -33.7207 -33.486 -33.7206 52.5279 1.34662 -33.486 1.34668 1.65943 GPRESSAVG: 2467800 -26.7804 -32.6076 -34.053 -33.5391 51.9659 5.128 -31.0439 1.06264 2.65228 TIMING: 2467800 CPU: 7151.44, 0.00290194/step Wall: 7151.44, 0.00290194/step, 2.04119 hours remaining, 211.707031 MB of memory in use. ENERGY: 2467800 759.4802 2120.7882 1962.5643 115.8525 -206046.6089 17729.1084 0.0000 0.0000 34509.7109 -148849.1045 301.3819 -183358.8153 -148750.4837 300.3568 7.0318 36.9409 556978.6052 9.0597 9.2793 PRESSURE: 2468000 -223.008 9.84706 -67.6385 9.8453 -76.69 31.5723 -67.6391 31.574 116.528 GPRESSURE: 2468000 -183.13 -42.7747 -64.5242 -2.66935 -40.5398 3.652 -20.0645 -32.6536 136.062 PRESSAVG: 2468000 -24.0814 -37.282 -38.9388 -37.282 -23.0646 -23.3342 -38.9388 -23.3342 14.8442 GPRESSAVG: 2468000 -24.7007 -38.1612 -39.8521 -39.0659 -21.5014 -25.5017 -39.7199 -23.4337 13.5842 TIMING: 2468000 CPU: 7152.02, 0.00290134/step Wall: 7152.02, 0.00290134/step, 2.04061 hours remaining, 211.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2468000 775.1161 2141.0166 1959.1579 128.1357 -205970.9910 17780.8521 0.0000 0.0000 34402.0428 -148784.6698 300.4416 -183186.7126 -148685.9484 300.7300 -61.0566 -29.2024 558240.4666 -10.7673 -10.8726 PRESSURE: 2468200 212.73 -123.348 138.018 -123.349 66.0676 33.6867 138.018 33.6867 213.467 GPRESSURE: 2468200 252.508 -272.315 136.995 -76.3777 114.586 81.5889 164.82 11.3234 233.587 PRESSAVG: 2468200 18.9295 -1.76018 -23.9975 -1.76011 -44.5541 -13.1288 -23.9974 -13.1286 40.3532 GPRESSAVG: 2468200 19.3495 -0.801999 -23.7315 -0.396138 -44.938 -12.5305 -24.0473 -12.898 40.3729 TIMING: 2468200 CPU: 7152.6, 0.00288148/step Wall: 7152.6, 0.00288148/step, 2.02648 hours remaining, 211.707031 MB of memory in use. ENERGY: 2468200 742.5963 2118.5758 1973.2975 113.7914 -206214.6706 17995.3203 0.0000 0.0000 34302.3462 -148968.7433 299.5709 -183271.0894 -148877.6211 300.3560 164.0883 200.2270 558238.8824 4.9095 4.9281 LDB: ============= START OF LOAD BALANCING ============== 7155.98 LDB: ============== END OF LOAD BALANCING =============== 7155.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7155.99 LDB: ============= START OF LOAD BALANCING ============== 7156.27 LDB: Largest compute 4820 load 0.023840 is 20.2% of average load 0.117822 LDB: Average compute 0.001750 is 1.5% of average load 0.117822 LDB: TIME 7156.28 LOAD: AVG 0.117822 MAX 0.177771 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.992 MB LDB: TIME 7156.28 LOAD: AVG 0.117822 MAX 0.177771 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: TIME 7156.28 LOAD: AVG 0.117822 MAX 0.177771 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: ============== END OF LOAD BALANCING =============== 7156.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7156.28 PRESSURE: 2468400 15.9613 214.788 -69.799 214.788 -315.195 34.2919 -69.8004 34.2918 -362.619 GPRESSURE: 2468400 27.5389 263.918 -142.927 94.9811 -283.064 69.6122 -87.1146 115.383 -314.728 PRESSAVG: 2468400 -56.7047 -13.67 -12.2517 -13.67 52.1561 -23.4965 -12.2515 -23.4965 -19.7411 GPRESSAVG: 2468400 -57.1443 -13.6318 -13.8463 -13.058 51.851 -23.8216 -9.52047 -23.4025 -18.5895 TIMING: 2468400 CPU: 7153.19, 0.00292851/step Wall: 7153.19, 0.00292851/step, 2.05939 hours remaining, 208.859375 MB of memory in use. ENERGY: 2468400 811.1216 2071.8537 1940.3984 110.5788 -205738.5012 17526.3801 0.0000 0.0000 34492.7166 -148785.4520 301.2335 -183278.1685 -148681.8124 300.0939 -220.6176 -190.0844 558660.9121 -8.0966 -7.9609 PRESSURE: 2468600 -336.869 55.3697 88.5154 55.3701 -83.5312 12.2726 88.5151 12.2727 85.1839 GPRESSURE: 2468600 -272.097 112.751 117.796 127.347 4.0076 -35.4724 33.9858 21.7603 27.4321 PRESSAVG: 2468600 -37.9473 19.488 -22.3257 19.488 43.9614 -35.0537 -22.3257 -35.0538 1.98763 GPRESSAVG: 2468600 -36.118 18.8645 -21.0829 18.3959 43.8134 -34.3932 -23.3845 -33.7692 1.08067 TIMING: 2468600 CPU: 7153.77, 0.00292027/step Wall: 7153.77, 0.00292027/step, 2.05344 hours remaining, 208.859375 MB of memory in use. ENERGY: 2468600 743.3504 2073.0894 1950.9472 125.3902 -206087.2538 17699.7295 0.0000 0.0000 34475.2769 -149019.4702 301.0812 -183494.7471 -148917.6928 300.7980 -111.7388 -80.2192 556749.4373 2.6672 2.9254 PRESSURE: 2468800 6.64697 102.608 50.7537 102.608 176.138 52.9154 50.7531 52.9144 29.7672 GPRESSURE: 2468800 83.7279 56.0349 33.363 92.9621 178.196 -55.4233 99.6327 90.0284 49.2143 PRESSAVG: 2468800 -34.5943 -37.9217 78.0719 -37.9218 -26.6235 -89.8332 78.072 -89.8331 77.3393 GPRESSAVG: 2468800 -35.4197 -36.9052 79.8269 -37.4282 -25.8741 -91.404 76.3805 -90.3535 77.3083 TIMING: 2468800 CPU: 7154.35, 0.00291564/step Wall: 7154.35, 0.00291564/step, 2.05002 hours remaining, 208.859375 MB of memory in use. ENERGY: 2468800 749.9345 2096.1449 1960.5157 123.4914 -206059.2924 17818.5559 0.0000 0.0000 34254.7649 -149055.8852 299.1554 -183310.6501 -148960.8449 299.9325 70.8506 103.7126 556354.2225 5.3738 5.3382 PRESSURE: 2469000 375.284 -110.765 94.4205 -110.765 -7.22589 -64.233 94.4205 -64.233 163.576 GPRESSURE: 2469000 417.405 -150.068 64.8678 -153.537 55.1326 -118.829 -27.4092 -110.571 173.482 PRESSAVG: 2469000 -0.145505 -5.70879 6.65104 -5.70877 9.28325 22.6491 6.65107 22.649 -12.7804 GPRESSAVG: 2469000 0.212946 -7.75754 4.96612 -4.86694 8.74412 24.6791 6.18081 20.3322 -12.6363 TIMING: 2469000 CPU: 7154.93, 0.00290108/step Wall: 7154.93, 0.00290108/step, 2.03962 hours remaining, 208.859375 MB of memory in use. ENERGY: 2469000 754.7498 2133.2754 1968.8762 117.6945 -205821.9807 17850.4966 0.0000 0.0000 34047.4432 -148949.4451 297.3448 -182996.8882 -148849.7944 299.3773 177.2112 215.3400 558583.0587 -1.2142 -1.2264 PRESSURE: 2469200 -213.51 78.5969 96.2629 78.5968 115.075 -42.0084 96.2636 -42.0078 -224.99 GPRESSURE: 2469200 -180.432 111.708 156.356 65.245 171.162 -13.0517 80.4464 -58.8849 -213.699 PRESSAVG: 2469200 31.6007 -16.171 42.0711 -16.1708 3.59935 -12.9449 42.0712 -12.9447 -34.856 GPRESSAVG: 2469200 30.9096 -16.0209 42.1974 -16.4386 4.04303 -15.4912 43.531 -10.9635 -34.787 TIMING: 2469200 CPU: 7155.51, 0.00289547/step Wall: 7155.51, 0.00289547/step, 2.03552 hours remaining, 208.859375 MB of memory in use. ENERGY: 2469200 767.8875 2107.5394 1941.9434 111.0827 -205967.9589 17758.2733 0.0000 0.0000 34198.6023 -149082.6303 298.6649 -183281.2326 -148982.7599 299.4958 -107.8086 -74.3229 558839.5602 0.1147 0.0552 PRESSURE: 2469400 271.7 -176.044 75.3669 -176.042 383.917 145.987 75.3676 145.988 170.328 GPRESSURE: 2469400 280.544 -94.9573 74.421 -175.81 408.895 134.698 72.9858 113.913 224.583 PRESSAVG: 2469400 1.78414 23.2623 -6.57907 23.2622 -0.240854 -2.36408 -6.57911 -2.36416 -4.06432 GPRESSAVG: 2469400 1.62696 24.7669 -5.44016 21.7572 -0.408432 -3.00936 -6.36639 -1.87499 -3.94872 TIMING: 2469400 CPU: 7156.09, 0.00290816/step Wall: 7156.09, 0.00290816/step, 2.04428 hours remaining, 208.859375 MB of memory in use. ENERGY: 2469400 746.3396 2137.7817 1949.0330 113.7818 -206519.2340 18237.0937 0.0000 0.0000 34252.6699 -149082.5344 299.1371 -183335.2043 -148986.3136 299.7359 275.3148 304.6740 556575.3237 -0.8403 -0.9101 PRESSURE: 2469600 142.571 -46.4576 -47.7115 -46.4572 -30.8413 -70.3169 -47.7108 -70.3168 350.853 GPRESSURE: 2469600 246.474 -127.784 -52.3885 46.4677 -31.5287 -54.7243 -98.9735 -36.0756 354.922 PRESSAVG: 2469600 1.93447 1.58078 -42.6371 1.58071 25.9701 -4.91449 -42.637 -4.91458 20.2619 GPRESSAVG: 2469600 2.44895 0.682356 -42.7385 2.65273 25.1465 -3.39414 -44.4901 -7.92254 20.312 TIMING: 2469600 CPU: 7156.67, 0.00289647/step Wall: 7156.67, 0.00289647/step, 2.0359 hours remaining, 208.859375 MB of memory in use. ENERGY: 2469600 709.1420 2137.3807 1943.8640 114.0670 -205790.2128 17698.0127 0.0000 0.0000 34205.6038 -148982.1425 298.7260 -183187.7463 -148889.9090 300.1808 154.1944 189.9558 556054.3511 16.0555 15.9692 PRESSURE: 2469800 131.394 -166.563 51.8825 -166.563 -210.113 96.9324 51.8827 96.9325 171.615 GPRESSURE: 2469800 202.296 -164.107 61.3197 -144.844 -151.254 74.5375 42.1765 125.446 144.449 PRESSAVG: 2469800 72.352 3.44643 35.05 3.44647 -28.8948 16.2071 35.0501 16.2072 10.2419 GPRESSAVG: 2469800 71.5012 5.56518 34.8742 2.54154 -28.9351 16.8286 34.9131 16.5133 11.2193 TIMING: 2469800 CPU: 7157.25, 0.00287984/step Wall: 7157.25, 0.00287984/step, 2.02405 hours remaining, 208.859375 MB of memory in use. ENERGY: 2469800 740.1935 2097.1496 1942.9292 106.8387 -206291.4458 17798.6915 0.0000 0.0000 34313.3157 -149292.3276 299.6667 -183605.6432 -149184.9131 299.8078 30.9656 65.1638 556653.6716 17.8997 17.9284 PRESSURE: 2470000 -83.0384 51.6096 154.734 51.6104 10.0441 94.8751 154.734 94.8757 -313.632 GPRESSURE: 2470000 -25.9468 89.4561 82.8968 59.5147 46.6433 88.7987 123.839 126.403 -310.009 PRESSAVG: 2470000 22.0962 -20.4608 28.7831 -20.4609 12.3524 4.46944 28.783 4.46956 -2.26771 GPRESSAVG: 2470000 22.8623 -22.998 27.5284 -20.0297 12.7048 3.71792 30.3828 5.0125 -3.45527 TIMING: 2470000 CPU: 7157.83, 0.00289471/step Wall: 7157.83, 0.00289471/step, 2.03433 hours remaining, 208.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2470000 755.7962 2129.7850 1940.5071 113.1023 -206056.6933 17603.4940 0.0000 0.0000 34127.2673 -149386.7414 298.0419 -183514.0087 -149291.7450 299.2952 -128.8754 -96.4376 558159.1022 10.7270 10.7039 PRESSURE: 2470200 -198.049 166.445 -16.1691 166.444 127.343 20.2786 -16.1688 20.2777 -28.2773 GPRESSURE: 2470200 -128.463 129.506 -21.7022 143.705 99.8646 67.3956 42.9939 73.6593 18.4775 PRESSAVG: 2470200 -35.2068 8.95168 13.2466 8.95157 -5.00076 26.8941 13.2466 26.8941 9.7318 GPRESSAVG: 2470200 -35.5879 9.89622 13.4348 7.03449 -4.38384 27.6794 11.8005 25.768 9.85261 TIMING: 2470200 CPU: 7158.41, 0.00289431/step Wall: 7158.41, 0.00289431/step, 2.03389 hours remaining, 208.859375 MB of memory in use. ENERGY: 2470200 754.2536 2069.7518 1965.9430 112.8423 -206241.2606 17685.8627 0.0000 0.0000 34189.2053 -149463.4019 298.5828 -183652.6073 -149362.0566 298.0136 -32.9947 -3.3737 557048.3535 -10.1586 -10.0397 PRESSURE: 2470400 -143.001 -109.29 30.1066 -109.289 -307.946 46.3965 30.1059 46.3968 -83.834 GPRESSURE: 2470400 -53.3764 -49.5163 62.6964 -104.535 -271.702 -56.6505 52.1262 109.64 -124.039 PRESSAVG: 2470400 -19.931 43.7845 -14.9375 43.7846 3.76548 -25.0983 -14.9374 -25.0983 53.2876 GPRESSAVG: 2470400 -19.1906 42.8039 -13.0628 45.4822 3.30469 -26.566 -14.3206 -22.4833 53.7037 TIMING: 2470400 CPU: 7158.99, 0.0028912/step Wall: 7158.99, 0.0028912/step, 2.03155 hours remaining, 208.859375 MB of memory in use. ENERGY: 2470400 705.4715 2146.1413 1936.2735 114.4155 -206037.2466 17470.2175 0.0000 0.0000 34179.3913 -149485.3360 298.4971 -183664.7273 -149389.2052 298.2383 -178.2603 -149.7061 558554.8336 12.3740 12.6059 PRESSURE: 2470600 -201.147 37.3324 -152.31 37.3334 4.84337 -31.4928 -152.31 -31.4931 -225.119 GPRESSURE: 2470600 -155.014 46.0182 -147.823 44.5286 25.6415 -52.1613 -127.536 55.1981 -196.137 PRESSAVG: 2470600 -11.6829 -10.3629 41.193 -10.363 19.1843 20.1373 41.1931 20.1372 16.8342 GPRESSAVG: 2470600 -13.6979 -9.74582 41.3609 -12.7321 19.6997 21.4562 41.1028 18.7176 18.2769 TIMING: 2470600 CPU: 7159.57, 0.00290606/step Wall: 7159.57, 0.00290606/step, 2.04183 hours remaining, 208.859375 MB of memory in use. ENERGY: 2470600 761.2594 2137.8182 1958.7918 108.7818 -206225.9218 17845.4591 0.0000 0.0000 34022.3237 -149391.4878 297.1254 -183413.8115 -149294.8131 298.6589 -140.4743 -108.5032 559292.8696 8.1118 8.0929 PRESSURE: 2470800 202.284 12.2601 -137.685 12.26 -46.2637 227.158 -137.686 227.156 156.288 GPRESSURE: 2470800 163.249 11.0134 -136.805 -36.4817 50.5385 183.557 -180.248 191.507 201.917 PRESSAVG: 2470800 -14.3878 8.60253 0.0520078 8.60255 20.0808 33.3976 0.0519736 33.3976 14.6075 GPRESSAVG: 2470800 -13.0468 9.19778 -0.724167 10.3364 20.6953 31.693 -0.398585 34.8586 12.9329 TIMING: 2470800 CPU: 7160.15, 0.00289772/step Wall: 7160.15, 0.00289772/step, 2.03581 hours remaining, 208.859375 MB of memory in use. ENERGY: 2470800 742.0345 2009.4667 1981.1701 119.9586 -206369.1710 18065.2183 0.0000 0.0000 34217.1928 -149234.1300 298.8273 -183451.3228 -149139.1624 299.1838 104.1028 138.5682 559418.4709 6.7668 6.8605 PRESSURE: 2471000 53.0716 16.9416 101.98 16.9402 72.7511 140.663 101.98 140.662 -158.783 GPRESSURE: 2471000 81.0248 40.1357 60.7848 14.9674 98.3512 153.932 102.047 108.416 -113.779 PRESSAVG: 2471000 -91.6162 19.8768 -13.3281 19.8767 34.3543 33.4879 -13.328 33.4878 23.2248 GPRESSAVG: 2471000 -90.8142 16.3178 -11.9185 21.6022 32.7851 34.3141 -15.4361 31.5747 23.0486 TIMING: 2471000 CPU: 7160.72, 0.00288186/step Wall: 7160.72, 0.00288186/step, 2.02451 hours remaining, 208.859375 MB of memory in use. ENERGY: 2471000 722.6564 2117.0032 1959.5902 107.8409 -206083.7887 17648.2237 0.0000 0.0000 34220.0338 -149308.4406 298.8521 -183528.4744 -149215.2643 298.8902 -10.9867 21.8657 557529.9677 -11.3457 -11.6602 PRESSURE: 2471200 77.712 34.0808 99.7427 34.0814 53.971 -61.5281 99.7427 -61.5289 -380.902 GPRESSURE: 2471200 112.431 92.6005 54.5729 -3.37901 103.148 30.0822 86.6585 -99.7024 -373.607 PRESSAVG: 2471200 -6.37026 48.2857 -7.57332 48.2857 17.5708 -1.00226 -7.57327 -1.00229 -7.16934 GPRESSAVG: 2471200 -7.32049 49.9043 -10.4371 46.5122 18.5371 0.924007 -5.05627 -1.08005 -7.23446 TIMING: 2471200 CPU: 7161.3, 0.0028707/step Wall: 7161.3, 0.0028707/step, 2.01651 hours remaining, 208.859375 MB of memory in use. ENERGY: 2471200 745.5396 2065.9389 1959.5262 114.7570 -206246.9759 17744.0424 0.0000 0.0000 34249.2689 -149367.9028 299.1074 -183617.1717 -149279.5068 299.3638 -83.0730 -52.6761 556297.9810 1.3437 1.3274 PRESSURE: 2471400 -24.9579 -67.1434 -117.761 -67.1421 235.278 8.90415 -117.762 8.90419 54.5821 GPRESSURE: 2471400 34.1953 -40.3371 -35.5639 -58.7403 251.989 -4.33391 -142.748 9.51944 82.7468 PRESSAVG: 2471400 -30.742 -5.74677 -30.9344 -5.74666 -2.40608 -46.0758 -30.9345 -46.0759 11.0196 GPRESSAVG: 2471400 -30.6869 -6.0665 -29.7846 -4.86962 -2.50588 -46.8255 -30.7063 -45.5109 10.8639 TIMING: 2471400 CPU: 7161.88, 0.00289347/step Wall: 7161.88, 0.00289347/step, 2.03234 hours remaining, 208.859375 MB of memory in use. ENERGY: 2471400 756.7527 2116.1625 1958.2452 109.7891 -206345.8683 17916.3573 0.0000 0.0000 34323.6327 -149164.9289 299.7568 -183488.5616 -149076.7096 298.8248 88.3007 122.9770 557245.9266 -7.3761 -7.4430 PRESSURE: 2471600 14.0828 -39.0622 -241.204 -39.0623 -260.637 5.98837 -241.205 5.9878 50.6173 GPRESSURE: 2471600 4.05474 42.291 -219.741 -93.3755 -237.473 -32.4619 -270.339 45.7929 135.847 PRESSAVG: 2471600 -31.0938 46.2885 -67.1769 46.2886 5.55638 -24.1872 -67.1769 -24.1873 41.5405 GPRESSAVG: 2471600 -31.15 46.7532 -66.4772 47.0122 5.2509 -24.9596 -68.3948 -20.7586 41.6525 TIMING: 2471600 CPU: 7162.46, 0.00289786/step Wall: 7162.46, 0.00289786/step, 2.03527 hours remaining, 208.859375 MB of memory in use. ENERGY: 2471600 737.8311 2125.5759 1963.8020 120.4678 -206018.9215 17772.5068 0.0000 0.0000 34158.2538 -149140.4841 298.3125 -183298.7379 -149043.8852 300.2604 -65.3122 -32.5238 559407.8600 5.3344 5.2511 PRESSURE: 2471800 -35.6097 16.8989 -149.246 16.8989 -17.2758 79.9496 -149.247 79.9476 28.205 GPRESSURE: 2471800 -16.8023 15.044 -94.9529 -60.7659 27.8231 39.4328 -140.567 42.01 66.7687 PRESSAVG: 2471800 -42.4499 7.26012 -56.4589 7.26015 -3.79975 24.1497 -56.4589 24.1497 74.6979 GPRESSAVG: 2471800 -43.3647 6.2886 -58.2547 6.57748 -4.24999 24.7506 -54.4995 21.4013 76.1342 TIMING: 2471800 CPU: 7163.04, 0.0029161/step Wall: 7163.04, 0.0029161/step, 2.04791 hours remaining, 208.859375 MB of memory in use. ENERGY: 2471800 752.4968 2029.6104 1967.7312 118.7049 -206345.8894 17927.2090 0.0000 0.0000 34198.5707 -149351.5665 298.6646 -183550.1372 -149253.2284 298.9022 -8.2268 25.9298 559046.3216 9.4828 9.5065 PRESSURE: 2472000 50.5436 5.20924 -228.675 5.20909 198.091 50.2726 -228.675 50.2729 -3.21811 GPRESSURE: 2472000 124.615 9.98829 -196.406 16.1732 207.263 46.1047 -207.002 -33.172 7.31319 PRESSAVG: 2472000 -15.4694 -42.4127 -66.0662 -42.4127 -21.0935 -54.1472 -66.0662 -54.1471 38.4823 GPRESSAVG: 2472000 -14.231 -40.1519 -62.8232 -43.3099 -21.3635 -53.864 -68.4556 -55.1265 38.0595 TIMING: 2472000 CPU: 7163.62, 0.00290737/step Wall: 7163.62, 0.00290737/step, 2.04162 hours remaining, 208.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2472000 729.2044 2021.4016 1947.1750 93.9002 -206433.8208 18109.4142 0.0000 0.0000 34177.0746 -149355.6508 298.4769 -183532.7254 -149255.8056 298.5488 81.8055 113.0639 558248.8119 0.6398 0.8217 PRESSURE: 2472200 34.1571 61.8321 168.061 61.8324 -18.8985 125.695 168.062 125.696 -223.293 GPRESSURE: 2472200 18.2219 16.6851 64.0469 70.7539 45.6564 164.997 238.74 129.935 -174.833 PRESSAVG: 2472200 -48.5531 -9.02996 -6.33256 -9.02985 -10.1709 -17.5664 -6.33251 -17.5665 58.2733 GPRESSAVG: 2472200 -49.5197 -10.4298 -7.35712 -8.75339 -9.64679 -17.7118 -6.15371 -15.6625 58.5458 TIMING: 2472200 CPU: 7164.2, 0.0028989/step Wall: 7164.2, 0.0028989/step, 2.03551 hours remaining, 208.859375 MB of memory in use. ENERGY: 2472200 742.8953 2073.1490 1934.2340 104.1600 -206165.7283 17786.5340 0.0000 0.0000 34074.5152 -149450.2408 297.5812 -183524.7560 -149347.4157 297.6792 -69.3448 -36.9849 557209.7915 -0.1502 -0.2069 LDB: ============= START OF LOAD BALANCING ============== 7167.59 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7167.59 LDB: =============== DONE WITH MIGRATION ================ 7167.59 LDB: ============= START OF LOAD BALANCING ============== 7167.88 LDB: Largest compute 4820 load 0.024783 is 21.0% of average load 0.117876 LDB: Average compute 0.001752 is 1.5% of average load 0.117876 LDB: TIME 7167.88 LOAD: AVG 0.117876 MAX 0.181144 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 7167.88 LOAD: AVG 0.117876 MAX 0.181144 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.734 MB LDB: TIME 7167.88 LOAD: AVG 0.117876 MAX 0.181144 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.734 MB LDB: ============== END OF LOAD BALANCING =============== 7167.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7167.89 PRESSURE: 2472400 -273.362 -83.491 -198.098 -83.4914 -144.045 -158.069 -198.098 -158.069 -27.1088 GPRESSURE: 2472400 -247.841 -54.5195 -206.999 -148.195 -106.447 -142.093 -131.847 -106.557 -1.12011 PRESSAVG: 2472400 20.9877 -41.3626 -42.6002 -41.3627 12.9084 -25.4366 -42.6002 -25.4366 -30.354 GPRESSAVG: 2472400 21.6901 -41.047 -44.3051 -41.6536 12.6183 -23.2255 -41.4097 -27.7386 -31.4339 TIMING: 2472400 CPU: 7164.79, 0.00294924/step Wall: 7164.79, 0.00294924/step, 2.07069 hours remaining, 208.835938 MB of memory in use. ENERGY: 2472400 751.0106 2086.1957 1953.1024 103.6108 -206309.0260 17682.8164 0.0000 0.0000 34264.2069 -149468.0832 299.2378 -183732.2901 -149367.7586 298.5686 -148.1719 -118.4693 555682.1135 1.1807 0.9582 PRESSURE: 2472600 145.377 -68.1645 -16.4186 -68.1648 -328.345 -149.225 -16.4194 -149.226 -16.4921 GPRESSURE: 2472600 129.43 -40.0458 -59.4325 -111.881 -312.414 -39.8956 -43.6813 -204.194 75.2647 PRESSAVG: 2472600 -35.9703 -9.31517 -43.9848 -9.31519 43.1345 -59.4948 -43.9848 -59.4947 9.392 GPRESSAVG: 2472600 -36.8238 -8.5323 -43.5339 -10.2634 43.2022 -59.5826 -43.0954 -58.0774 10.1086 TIMING: 2472600 CPU: 7165.37, 0.00290116/step Wall: 7165.37, 0.00290116/step, 2.03678 hours remaining, 209.039062 MB of memory in use. ENERGY: 2472600 738.0899 2065.3039 1945.6470 105.1821 -206086.5098 17585.7586 0.0000 0.0000 34192.5321 -149453.9962 298.6119 -183646.5283 -149362.7612 298.9434 -66.4869 -35.9062 557087.7210 5.5187 5.4957 PRESSURE: 2472800 2.44683 -19.157 -2.17474 -19.1573 35.655 -18.0942 -2.17477 -18.0942 -90.3455 GPRESSURE: 2472800 52.2653 -42.9413 11.0289 -74.6877 30.4417 -120.028 39.1502 -31.6844 -40.5024 PRESSAVG: 2472800 -10.1333 -40.0107 6.2118 -40.0108 -24.6348 9.4208 6.21186 9.42073 21.4485 GPRESSAVG: 2472800 -9.30504 -41.3252 5.37158 -39.4603 -25.9015 8.80573 8.03998 8.11175 21.3645 TIMING: 2472800 CPU: 7165.95, 0.00288066/step Wall: 7165.95, 0.00288066/step, 2.02222 hours remaining, 209.039062 MB of memory in use. ENERGY: 2472800 741.7569 2030.7206 1933.5131 102.2512 -206356.7692 17964.5292 0.0000 0.0000 34068.8338 -149515.1644 297.5316 -183583.9982 -149419.3224 298.5289 -17.4145 14.0682 558153.9631 -4.4399 -4.6140 PRESSURE: 2473000 314.465 -8.04947 131.325 -8.0493 294.516 -102.759 131.325 -102.76 68.9989 GPRESSURE: 2473000 315.35 -11.6252 210.815 53.0937 303.786 -70.8515 114.501 -125.773 151.249 PRESSAVG: 2473000 62.4474 -26.7293 38.2846 -26.7293 6.46133 15.4776 38.2847 15.4777 -28.0059 GPRESSAVG: 2473000 61.7638 -26.1521 41.763 -25.3764 7.52092 14.6194 36.3446 16.7441 -28.1713 TIMING: 2473000 CPU: 7166.53, 0.00289939/step Wall: 7166.53, 0.00289939/step, 2.03521 hours remaining, 209.039062 MB of memory in use. ENERGY: 2473000 735.7078 2072.0452 1958.6572 104.8720 -206825.3257 18114.7093 0.0000 0.0000 34367.7432 -149471.5911 300.1420 -183839.3343 -149374.3453 298.9317 225.9932 256.7947 556138.3575 13.6343 13.7045 PRESSURE: 2473200 -0.95505 70.6762 -36.6216 70.6761 -198.537 -15.9118 -36.6201 -15.9129 53.894 GPRESSURE: 2473200 5.92784 81.775 -75.1779 -1.2819 -116.621 -7.54018 40.5227 -15.1092 72.0399 PRESSAVG: 2473200 -31.8389 -23.7872 -14.7602 -23.7872 12.5314 -29.2996 -14.7601 -29.2996 7.42978 GPRESSAVG: 2473200 -31.2736 -24.9002 -17.2753 -23.6217 11.8604 -29.7785 -16.6138 -30.2376 7.28042 TIMING: 2473200 CPU: 7167.11, 0.00292479/step Wall: 7167.11, 0.00292479/step, 2.05288 hours remaining, 209.039062 MB of memory in use. ENERGY: 2473200 801.1062 2033.0934 1972.1732 115.6898 -206507.7991 18014.8630 0.0000 0.0000 34243.6407 -149327.2327 299.0582 -183570.8735 -149236.3395 298.8857 -48.5326 -12.8843 557565.6157 -3.9592 -4.0443 PRESSURE: 2473400 115.966 -79.7909 194.624 -79.7904 -261.373 71.0311 194.626 71.0329 -182.465 GPRESSURE: 2473400 94.7939 -105.489 237.414 -47.9305 -252.547 91.7953 105.679 -25.7266 -75.1059 PRESSAVG: 2473400 12.866 21.0693 -9.54703 21.0692 26.6572 -43.7212 -9.54699 -43.7211 -1.3367 GPRESSAVG: 2473400 11.9071 22.6089 -10.9856 19.4016 27.8042 -43.5098 -7.68433 -42.6448 -1.82411 TIMING: 2473400 CPU: 7167.7, 0.00292612/step Wall: 7167.7, 0.00292612/step, 2.05365 hours remaining, 209.039062 MB of memory in use. ENERGY: 2473400 740.0464 2044.6788 1924.2709 111.2926 -205898.4307 17637.8471 0.0000 0.0000 34240.5468 -149199.7480 299.0312 -183440.2948 -149105.4760 299.0638 -109.2908 -77.6198 559558.1027 12.7288 12.6291 PRESSURE: 2473600 162.445 -35.2234 41.4307 -35.2217 -183.893 -75.6566 41.4317 -75.6573 73.5762 GPRESSURE: 2473600 192.214 -56.0412 -1.71311 -62.2307 -153.314 27.861 86.0358 -11.5365 109.132 PRESSAVG: 2473600 68.7519 -61.4206 12.6098 -61.4205 -26.7947 -31.6609 12.6098 -31.6609 -43.9633 GPRESSAVG: 2473600 68.6921 -62.1413 15.6899 -61.076 -26.845 -30.6305 10.8024 -31.4887 -44.4825 TIMING: 2473600 CPU: 7168.28, 0.00290669/step Wall: 7168.28, 0.00290669/step, 2.03985 hours remaining, 209.039062 MB of memory in use. ENERGY: 2473600 755.8340 2048.2896 1934.2462 112.3853 -206095.0985 17801.4254 0.0000 0.0000 34268.5279 -149174.3901 299.2756 -183442.9179 -149085.5547 299.2450 17.3760 49.3443 558288.7708 -0.6687 -0.8784 PRESSURE: 2473800 69.0696 97.0396 10.91 97.0403 -126.439 -41.137 10.9119 -41.137 110.137 GPRESSURE: 2473800 133.574 38.0904 67.1422 90.8369 -72.8584 -138.215 -11.4976 71.723 97.8087 PRESSAVG: 2473800 40.9741 -32.2956 -33.968 -32.2956 14.8572 23.0449 -33.9679 23.0449 -22.4664 GPRESSAVG: 2473800 42.2354 -31.2795 -35.0443 -33.0547 13.0818 21.9288 -31.9886 24.7702 -21.7779 TIMING: 2473800 CPU: 7168.86, 0.00290534/step Wall: 7168.86, 0.00290534/step, 2.03874 hours remaining, 209.039062 MB of memory in use. ENERGY: 2473800 768.2871 2044.0428 1952.0499 128.5495 -206042.0076 17821.1542 0.0000 0.0000 34315.6160 -149012.3081 299.6868 -183327.9241 -148918.4170 298.7775 17.5892 52.8416 557679.8147 11.1216 11.1798 PRESSURE: 2474000 78.0492 -37.3056 -100.889 -37.3049 8.72936 -160.582 -100.89 -160.581 -9.78428 GPRESSURE: 2474000 127.815 -56.0951 -102.66 8.5256 31.9665 -150.913 -136.569 -89.2016 16.3145 PRESSAVG: 2474000 37.1893 14.2805 -29.1965 14.2806 13.8731 -18.2131 -29.1965 -18.2131 -60.6213 GPRESSAVG: 2474000 36.4464 13.0932 -30.3013 14.0121 15.2555 -18.7225 -28.9625 -19.2718 -60.6007 TIMING: 2474000 CPU: 7169.44, 0.00291224/step Wall: 7169.44, 0.00291224/step, 2.04342 hours remaining, 209.039062 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: 2474000 694.0054 2051.2915 1936.5031 99.1344 -206050.7022 17785.1083 0.0000 0.0000 34445.5226 -149039.1369 300.8213 -183484.6595 -148947.5189 299.7570 25.6648 58.6988 557582.1978 -3.1863 -2.9663 PRESSURE: 2474200 22.4264 -25.4619 -19.277 -25.4617 -159.09 -13.0468 -19.2774 -13.0485 113.522 GPRESSURE: 2474200 57.2395 35.726 -49.2462 -74.7193 -74.3491 -63.5508 43.7588 12.3825 99.8245 PRESSAVG: 2474200 27.7092 -47.7436 -21.6792 -47.7436 12.9952 0.723588 -21.6792 0.723681 -19.2112 GPRESSAVG: 2474200 28.065 -47.4932 -21.2851 -46.908 11.958 0.628983 -21.5102 0.0504573 -18.2546 TIMING: 2474200 CPU: 7170.02, 0.00289864/step Wall: 7170.02, 0.00289864/step, 2.03372 hours remaining, 209.039062 MB of memory in use. ENERGY: 2474200 752.4913 2030.2903 1941.2688 111.7056 -205905.1953 17691.5963 0.0000 0.0000 34288.9083 -149088.9347 299.4536 -183377.8430 -148995.8693 299.7274 -7.7139 27.5716 558027.5803 7.1644 7.2561 PRESSURE: 2474400 71.3559 -19.7425 245.137 -19.742 80.6109 64.8492 245.137 64.8493 123.91 GPRESSURE: 2474400 108.016 -74.1042 117.496 37.311 106.735 63.8579 247.375 11.5195 147.652 PRESSAVG: 2474400 -49.8377 -30.1073 26.757 -30.1074 17.6157 -1.63959 26.757 -1.63972 1.79056 GPRESSAVG: 2474400 -49.6543 -30.6738 26.7407 -31.4244 17.8584 -1.61171 26.4089 -0.53767 0.94814 TIMING: 2474400 CPU: 7170.6, 0.00289784/step Wall: 7170.6, 0.00289784/step, 2.03299 hours remaining, 209.039062 MB of memory in use. ENERGY: 2474400 725.8913 2097.8750 1934.2842 118.5332 -206199.0576 17868.5886 0.0000 0.0000 34248.7318 -149205.1537 299.1027 -183453.8854 -149103.9842 298.7343 91.9590 120.8011 557726.6767 -10.1438 -10.2826 PRESSURE: 2474600 -34.8509 69.5372 -112.429 69.5371 -165.962 103.996 -112.429 103.996 209.777 GPRESSURE: 2474600 -33.3531 84.9191 -131.911 36.3325 -83.4934 100.933 -95.0614 108.901 234.033 PRESSAVG: 2474600 -43.1043 45.9094 40.0981 45.9094 -45.9847 9.54116 40.0981 9.54114 68.5266 GPRESSAVG: 2474600 -41.897 45.3983 41.3624 48.3191 -46.3155 9.63839 39.2126 8.76306 67.7041 TIMING: 2474600 CPU: 7171.17, 0.00287135/step Wall: 7171.17, 0.00287135/step, 2.01425 hours remaining, 209.039062 MB of memory in use. ENERGY: 2474600 757.1997 2070.5503 1924.3155 137.6914 -205919.9005 17767.1832 0.0000 0.0000 34240.4281 -149022.5322 299.0302 -183262.9603 -148918.1090 299.6995 2.9878 39.0622 557870.4522 -6.8541 -6.8361 PRESSURE: 2474800 -67.5363 13.8752 -65.8678 13.8732 255.985 91.0044 -65.8667 91.0058 69.9326 GPRESSURE: 2474800 -73.3315 72.3573 -46.0121 70.0599 313.245 23.8165 -132.994 109.853 102.625 PRESSAVG: 2474800 -63.9257 -31.5401 -14.7111 -31.5402 32.4692 -19.6113 -14.711 -19.6114 22.5991 GPRESSAVG: 2474800 -64.8988 -30.4134 -14.0629 -32.0105 32.5658 -18.3057 -13.7108 -19.8507 23.1426 TIMING: 2474800 CPU: 7171.75, 0.00286876/step Wall: 7171.75, 0.00286876/step, 2.01228 hours remaining, 209.039062 MB of memory in use. ENERGY: 2474800 746.0023 2046.5603 1935.9559 110.0419 -206114.8077 17944.2311 0.0000 0.0000 34252.5705 -149079.4458 299.1362 -183332.0163 -148987.1597 299.6711 86.1271 114.1794 557676.0175 -2.9524 -3.0635 PRESSURE: 2475000 -70.9551 109.34 -66.2911 109.34 20.2647 -44.4447 -66.2921 -44.4443 -92.4143 GPRESSURE: 2475000 -37.9874 114.962 14.7555 87.743 71.5446 -26.968 -96.1761 -63.2476 -74.6441 PRESSAVG: 2475000 -24.8145 32.6345 38.1328 32.6346 32.5636 -27.8034 38.1329 -27.8034 -47.9869 GPRESSAVG: 2475000 -24.9237 32.0078 37.1353 34.3755 33.0631 -28.934 37.2394 -27.305 -48.1127 TIMING: 2475000 CPU: 7172.32, 0.00287882/step Wall: 7172.32, 0.00287882/step, 2.01918 hours remaining, 209.039062 MB of memory in use. ENERGY: 2475000 719.0692 2058.5818 1952.2936 101.8376 -206080.1571 17738.7590 0.0000 0.0000 34545.2903 -148964.3256 301.6926 -183509.6159 -148870.7450 299.2604 -47.7015 -13.6956 558102.6235 -13.4126 -13.3244 PRESSURE: 2475200 -107.955 87.4342 -78.077 87.4338 -324.078 -105.825 -78.0767 -105.826 -24.6354 GPRESSURE: 2475200 -66.9311 53.3659 -124.529 125.428 -301.517 -151.507 -75.4201 -165.306 6.51471 PRESSAVG: 2475200 -9.80565 68.5561 25.2194 68.5561 8.75243 -25.3219 25.2195 -25.3218 14.4757 GPRESSAVG: 2475200 -9.88453 68.8531 25.3396 67.1348 7.63339 -25.6857 26.3603 -27.4733 15.7411 TIMING: 2475200 CPU: 7172.9, 0.00289456/step Wall: 7172.9, 0.00289456/step, 2.03005 hours remaining, 209.039062 MB of memory in use. ENERGY: 2475200 701.0296 2040.5180 1954.6471 107.1520 -205760.2666 17458.6325 0.0000 0.0000 34482.1687 -149016.1187 301.1414 -183498.2874 -148919.6306 300.3399 -152.2228 -120.6443 557534.9313 4.4742 4.4967 PRESSURE: 2475400 118.713 78.2286 -28.2026 78.2274 -150.793 -20.3303 -28.2037 -20.3306 -142.405 GPRESSURE: 2475400 155.17 28.7745 18.7765 6.50978 -73.1333 -31.7593 -37.5153 -76.6077 -162.885 PRESSAVG: 2475400 -29.2214 70.9549 -36.8746 70.9548 -23.7946 -21.8091 -36.8746 -21.8092 39.06 GPRESSAVG: 2475400 -30.2779 70.5839 -36.7433 70.4969 -21.4588 -19.3643 -37.3013 -21.032 37.6207 TIMING: 2475400 CPU: 7173.48, 0.00288535/step Wall: 7173.48, 0.00288535/step, 2.02343 hours remaining, 209.039062 MB of memory in use. ENERGY: 2475400 739.7231 2062.9045 1955.6928 107.9167 -205968.8610 17670.3460 0.0000 0.0000 34464.2870 -148967.9908 300.9852 -183432.2778 -148865.7519 300.1748 -58.1616 -26.9494 557021.0706 -4.6520 -4.7053 PRESSURE: 2475600 191.933 112.277 -122.79 112.278 -88.1041 59.5089 -122.789 59.5091 -27.146 GPRESSURE: 2475600 229.983 83.5592 -231.358 100.249 -95.0653 109.105 -140.886 11.0946 39.1183 PRESSAVG: 2475600 49.1687 54.7014 -19.6793 54.7015 -54.3795 -23.8942 -19.6792 -23.8942 27.1104 GPRESSAVG: 2475600 51.3423 54.9675 -19.7119 55.8276 -55.1595 -25.7554 -20.0704 -24.1934 26.5279 TIMING: 2475600 CPU: 7174.06, 0.00289149/step Wall: 7174.06, 0.00289149/step, 2.02758 hours remaining, 209.039062 MB of memory in use. ENERGY: 2475600 746.0969 2141.3688 1955.5051 101.2158 -206038.0206 17825.7546 0.0000 0.0000 34333.7839 -148934.2956 299.8455 -183268.0795 -148835.9756 299.7888 25.5610 58.0119 558157.4387 7.2999 7.5702 PRESSURE: 2475800 -3.43011 -90.0079 31.6777 -90.0093 -259.999 173.278 31.6785 173.276 -136.658 GPRESSURE: 2475800 4.04178 -94.8765 -20.9778 -164.081 -185.633 265.502 59.285 198.696 -111.852 PRESSAVG: 2475800 -14.6667 2.01493 -41.6748 2.01491 -28.2823 -56.0422 -41.6749 -56.0421 0.218082 GPRESSAVG: 2475800 -16.3785 1.54799 -41.3756 0.904056 -28.1105 -56.9984 -43.0636 -51.857 1.79889 TIMING: 2475800 CPU: 7174.64, 0.00288943/step Wall: 7174.64, 0.00288943/step, 2.02597 hours remaining, 209.039062 MB of memory in use. ENERGY: 2475800 744.4418 2094.1024 1965.1985 111.0260 -205532.1525 17593.4662 0.0000 0.0000 34125.6992 -148898.2184 298.0282 -183023.9175 -148799.5571 298.9788 -133.3624 -97.8143 558778.7194 -14.2437 -14.2300 PRESSURE: 2476000 -16.0264 -69.0162 120.831 -69.0157 141.72 -250.487 120.832 -250.487 130.955 GPRESSURE: 2476000 -9.88165 -55.9408 67.706 -101.078 185.58 -187.818 131.511 -305.866 179.383 PRESSAVG: 2476000 42.0904 -62.8585 -10.2809 -62.8585 40.6233 -40.4158 -10.2809 -40.4158 -12.8276 GPRESSAVG: 2476000 41.537 -60.9456 -11.8539 -63.254 41.9497 -40.7033 -8.6934 -44.97 -13.2125 TIMING: 2476000 CPU: 7175.21, 0.00287372/step Wall: 7175.21, 0.00287372/step, 2.01479 hours remaining, 209.039062 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: 2476000 722.6771 2067.6885 1951.7454 117.8101 -206000.8528 17778.4822 0.0000 0.0000 34336.6141 -149025.8354 299.8702 -183362.4495 -148928.2290 299.2115 85.5496 118.3605 557357.6479 23.2954 23.4247 PRESSURE: 2476200 -235.893 71.2419 -195.191 71.2411 -116.637 49.6527 -195.192 49.6519 -74.5319 GPRESSURE: 2476200 -214.809 68.8935 -141.971 6.57824 -83.206 88.5191 -165.163 28.2241 -30.9107 PRESSAVG: 2476200 -9.3548 7.39604 3.66149 7.396 21.0556 19.7489 3.66153 19.7491 11.3363 GPRESSAVG: 2476200 -7.87192 6.64539 6.5591 8.64059 20.6039 21.6645 3.44326 19.5142 10.1735 TIMING: 2476200 CPU: 7175.79, 0.00287797/step Wall: 7175.79, 0.00287797/step, 2.01762 hours remaining, 209.039062 MB of memory in use. ENERGY: 2476200 723.3517 2040.7762 1963.2430 110.3657 -205563.0506 17389.0380 0.0000 0.0000 34264.7678 -149071.5083 299.2427 -183336.2761 -148978.4315 299.6558 -142.3539 -109.6418 558534.9576 7.6790 7.6351 LDB: ============= START OF LOAD BALANCING ============== 7179.17 LDB: ============== END OF LOAD BALANCING =============== 7179.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7179.17 LDB: ============= START OF LOAD BALANCING ============== 7179.46 LDB: Largest compute 4800 load 0.025510 is 21.6% of average load 0.117831 LDB: Average compute 0.001753 is 1.5% of average load 0.117831 LDB: TIME 7179.47 LOAD: AVG 0.117831 MAX 0.177084 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.809 MB LDB: TIME 7179.47 LOAD: AVG 0.117831 MAX 0.177084 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: TIME 7179.47 LOAD: AVG 0.117831 MAX 0.177084 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: ============== END OF LOAD BALANCING =============== 7179.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7179.47 PRESSURE: 2476400 97.1603 33.4413 77.627 33.4414 322.986 46.8259 77.6276 46.8244 176.387 GPRESSURE: 2476400 82.8822 -17.2056 37.1287 21.7899 337.623 34.5639 123.807 -3.56954 271.381 PRESSAVG: 2476400 -5.7514 17.1193 -47.2962 17.1193 -23.564 24.6416 -47.2962 24.6416 -15.3376 GPRESSAVG: 2476400 -5.34731 17.8118 -50.3678 15.5571 -24.0308 24.0098 -46.7483 24.1269 -15.1773 TIMING: 2476400 CPU: 7176.38, 0.0029454/step Wall: 7176.38, 0.0029454/step, 2.06472 hours remaining, 212.121094 MB of memory in use. ENERGY: 2476400 697.4550 2106.5004 1977.2360 107.5435 -206407.6552 17954.9732 0.0000 0.0000 34391.8731 -149172.0740 300.3528 -183563.9471 -149076.9262 298.7913 198.8446 230.6289 556316.3001 -14.8843 -14.8518 PRESSURE: 2476600 138.478 25.4532 -148.006 25.4521 85.9563 -113.042 -148.007 -113.04 160.6 GPRESSURE: 2476600 227.317 33.3292 -90.9591 69.016 34.0785 -115.041 -257.276 -176.228 221.92 PRESSAVG: 2476600 -65.6118 12.0659 -29.7164 12.0659 101.068 29.2145 -29.7163 29.2144 -13.6077 GPRESSAVG: 2476600 -65.2499 12.0698 -28.0896 13.0873 100.626 29.4157 -28.452 30.4242 -13.2469 TIMING: 2476600 CPU: 7176.95, 0.00288351/step Wall: 7176.95, 0.00288351/step, 2.02118 hours remaining, 212.363281 MB of memory in use. ENERGY: 2476600 727.9914 2116.1443 1951.0195 121.9036 -206171.5784 17947.6297 0.0000 0.0000 33983.3320 -149323.5579 296.7849 -183306.8899 -149233.3700 298.8625 128.3451 161.1049 557583.8211 7.2828 7.3764 PRESSURE: 2476800 168.933 -54.5506 -115.865 -54.5491 -61.739 -103.092 -115.864 -103.092 -233.591 GPRESSURE: 2476800 153.707 -71.5692 -133.422 -43.9228 -25.6864 -132.156 -61.265 3.47772 -172.541 PRESSAVG: 2476800 58.9357 5.09351 -70.4756 5.09349 1.1545 -22.539 -70.4756 -22.539 -6.60317 GPRESSAVG: 2476800 58.6594 3.33347 -70.3273 5.21889 2.03833 -24.1005 -73.0345 -21.8135 -7.90798 TIMING: 2476800 CPU: 7177.53, 0.00287994/step Wall: 7177.53, 0.00287994/step, 2.01852 hours remaining, 212.363281 MB of memory in use. ENERGY: 2476800 783.7652 2123.4411 1942.7841 99.3345 -205988.2496 17730.3013 0.0000 0.0000 34205.0574 -149103.5661 298.7213 -183308.6235 -149012.6412 299.0715 -42.1325 -14.8400 557937.3005 17.8290 17.5966 PRESSURE: 2477000 -214.105 168.679 25.9273 168.678 -76.3749 -35.0334 25.9269 -35.033 23.0607 GPRESSURE: 2477000 -207.983 86.3235 -15.6405 191.209 -19.9945 -108.833 -9.98471 75.1951 59.3893 PRESSAVG: 2477000 2.75387 70.2503 -7.04728 70.2504 15.3825 27.3479 -7.04718 27.3478 -24.0199 GPRESSAVG: 2477000 1.87983 71.3358 -6.5201 70.3683 15.0189 28.1005 -5.00779 27.4639 -23.0504 TIMING: 2477000 CPU: 7178.1, 0.00287954/step Wall: 7178.1, 0.00287954/step, 2.01808 hours remaining, 212.363281 MB of memory in use. ENERGY: 2477000 725.9455 2118.2710 1962.9800 106.2961 -206020.4764 17627.4791 0.0000 0.0000 34208.0630 -149271.4417 298.7475 -183479.5047 -149182.9472 299.1943 -89.1396 -56.1962 558197.9017 -1.9612 -2.0506 PRESSURE: 2477200 -58.8575 55.2523 159.264 55.2514 -67.527 106.197 159.265 106.196 -212.429 GPRESSURE: 2477200 -41.2766 129.673 143.742 52.5221 -36.855 76.2328 84.4247 81.9032 -158.297 PRESSAVG: 2477200 -24.7912 26.4642 19.0649 26.4642 7.21664 46.68 19.0648 46.68 19.9456 GPRESSAVG: 2477200 -24.3873 27.0675 18.906 26.1959 7.50312 48.3425 16.0999 44.4645 19.3161 TIMING: 2477200 CPU: 7178.68, 0.0028772/step Wall: 7178.68, 0.0028772/step, 2.01628 hours remaining, 212.363281 MB of memory in use. ENERGY: 2477200 724.3648 2072.7931 1953.9321 121.2022 -205806.7759 17552.8099 0.0000 0.0000 34180.3517 -149201.3222 298.5055 -183381.6739 -149106.0293 298.6700 -112.9377 -78.8095 557825.2566 0.7904 0.8107 PRESSURE: 2477400 -234.271 46.3019 -223.707 46.3026 181.696 -81.8071 -223.709 -81.8073 64.0216 GPRESSURE: 2477400 -121.136 64.8667 -207.386 47.7242 188.143 9.75563 -179.105 -129.623 42.5412 PRESSAVG: 2477400 -3.3847 7.87138 -18.7154 7.8713 -14.1239 54.6584 -18.7154 54.6584 9.82894 GPRESSAVG: 2477400 -4.09588 7.44167 -20.3517 7.65528 -13.5512 55.8346 -18.269 53.15 9.742 TIMING: 2477400 CPU: 7179.25, 0.0028764/step Wall: 7179.25, 0.0028764/step, 2.01556 hours remaining, 212.363281 MB of memory in use. ENERGY: 2477400 733.1784 2048.1824 1937.7756 112.7481 -205868.4965 17631.6086 0.0000 0.0000 34240.9639 -149164.0395 299.0349 -183405.0034 -149065.5785 299.1420 3.8153 36.5159 556473.8041 -2.5599 -2.6350 PRESSURE: 2477600 -147.266 40.118 75.7132 40.1176 -48.3315 23.1216 75.7137 23.1208 43.6275 GPRESSURE: 2477600 -60.6742 94.4203 2.4627 1.06724 -45.3131 18.6896 166.107 31.913 45.182 PRESSAVG: 2477600 -70.5139 1.87271 -29.5524 1.87275 0.828702 -48.4102 -29.5524 -48.4102 78.3398 GPRESSAVG: 2477600 -69.9938 2.35523 -27.3724 2.82541 0.275505 -50.4175 -29.5768 -45.4838 78.1615 TIMING: 2477600 CPU: 7179.83, 0.00288623/step Wall: 7179.83, 0.00288623/step, 2.02229 hours remaining, 212.363281 MB of memory in use. ENERGY: 2477600 717.7320 2064.4182 1924.9711 120.2641 -206082.6470 17615.8276 0.0000 0.0000 34531.7878 -149107.6461 301.5747 -183639.4339 -149008.1998 299.2946 -50.6566 -20.2685 556279.1229 2.8849 2.8144 PRESSURE: 2477800 40.6927 -155.049 23.3668 -155.049 -103.195 169.992 23.3662 169.991 126.445 GPRESSURE: 2477800 118.293 -149.636 96.463 -78.094 -55.8086 230.949 78.4981 67.539 104.428 PRESSAVG: 2477800 2.92519 24.2953 -16.7597 24.2953 -31.7039 35.3099 -16.7597 35.3099 -16.0169 GPRESSAVG: 2477800 2.91942 24.918 -17.2239 23.0172 -31.8796 36.0159 -15.0334 34.9694 -15.9704 TIMING: 2477800 CPU: 7180.41, 0.00289167/step Wall: 7180.41, 0.00289167/step, 2.02593 hours remaining, 212.625000 MB of memory in use. ENERGY: 2477800 718.3533 2068.8201 1977.9160 125.3668 -205909.6458 17671.3165 0.0000 0.0000 34197.9477 -149149.9254 298.6592 -183347.8731 -149048.1707 299.5194 21.3144 55.6373 556584.6188 -14.9319 -14.9769 PRESSURE: 2478000 -17.415 -23.5354 42.6472 -23.5345 -87.9568 101.075 42.6469 101.075 47.6625 GPRESSURE: 2478000 -38.4612 66.2826 80.4554 -44.6934 20.7828 139.534 18.2817 19.9982 59.724 PRESSAVG: 2478000 34.7401 18.2041 39.083 18.2041 -36.9302 58.4447 39.0829 58.4448 20.3265 GPRESSAVG: 2478000 35.7807 18.8729 39.772 18.976 -37.1469 58.1459 37.3123 56.8444 19.5039 TIMING: 2478000 CPU: 7180.99, 0.00290578/step Wall: 7180.99, 0.00290578/step, 2.03566 hours remaining, 212.625000 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: 2478000 726.8558 2091.2146 1943.5591 105.8643 -206350.7349 17917.1420 0.0000 0.0000 34293.0779 -149273.0212 299.4900 -183566.0990 -149175.5006 298.4908 -19.2364 14.0152 557683.9318 6.0455 6.0459 PRESSURE: 2478200 -81.1382 91.5808 -135.199 91.5804 55.2972 70.0755 -135.2 70.0752 -117.655 GPRESSURE: 2478200 -47.2574 79.8614 -112.819 53.0484 114.873 117.311 -173.033 -1.45294 -120.516 PRESSAVG: 2478200 24.1968 15.9498 -1.22996 15.9498 -67.4904 23.5983 -1.22993 23.5983 7.24053 GPRESSAVG: 2478200 23.4566 14.4429 -2.96081 15.7251 -67.3877 23.6552 -0.175699 23.7135 8.19059 TIMING: 2478200 CPU: 7181.57, 0.00287833/step Wall: 7181.57, 0.00287833/step, 2.01627 hours remaining, 212.625000 MB of memory in use. ENERGY: 2478200 694.5060 2096.3129 1933.8363 102.7811 -206133.4000 17604.5035 0.0000 0.0000 34322.0882 -149379.3721 299.7433 -183701.4603 -149281.4213 299.2047 -47.8320 -17.6335 554472.0798 -12.0177 -11.9135 PRESSURE: 2478400 -56.4594 -33.283 -21.9838 -33.2833 38.0885 9.65879 -21.9843 9.6594 40.7436 GPRESSURE: 2478400 -13.2657 -122.984 -50.7644 -118.442 104.958 46.7498 -34.698 5.38586 33.4203 PRESSAVG: 2478400 -0.123171 9.05867 -41.4363 9.05869 5.33743 25.4431 -41.4362 25.4432 13.3438 GPRESSAVG: 2478400 -0.276902 8.88981 -38.2771 8.06582 5.23092 25.6307 -43.9491 26.0589 13.7727 TIMING: 2478400 CPU: 7182.15, 0.00290596/step Wall: 7182.15, 0.00290596/step, 2.03546 hours remaining, 212.625000 MB of memory in use. ENERGY: 2478400 747.2371 2052.4177 1959.5629 136.2810 -206520.0830 17873.9546 0.0000 0.0000 34375.8232 -149374.8064 300.2126 -183750.6297 -149274.9379 298.8443 7.4576 41.7043 554624.9178 6.1860 6.2423 PRESSURE: 2478600 2.96998 -37.4532 -1.63934 -37.4535 -187.45 7.17144 -1.6381 7.17234 -162.015 GPRESSURE: 2478600 27.2174 -56.4079 -72.7841 -59.0138 -93.3125 -64.9512 34.7866 96.7362 -198.248 PRESSAVG: 2478600 -61.0148 3.74475 -18.0514 3.74476 37.2396 23.0921 -18.0514 23.092 45.3377 GPRESSAVG: 2478600 -60.502 4.8397 -20.4477 4.26006 36.5688 24.2835 -15.259 22.6359 45.3019 TIMING: 2478600 CPU: 7182.73, 0.00289219/step Wall: 7182.73, 0.00289219/step, 2.02566 hours remaining, 212.625000 MB of memory in use. ENERGY: 2478600 750.6932 2047.4271 1943.2379 112.0499 -206150.3113 17744.3067 0.0000 0.0000 34141.7533 -149410.8432 298.1684 -183552.5965 -149314.2964 299.5585 -115.4986 -88.1144 557098.1283 7.1875 7.1229 PRESSURE: 2478800 -18.3914 43.3033 145.001 43.3037 -137.853 245.383 145.001 245.384 146.146 GPRESSURE: 2478800 -13.6751 114.081 102.994 34.8525 -65.2423 305.442 94.3731 230.528 171.925 PRESSAVG: 2478800 4.85345 42.8696 24.8256 42.8696 -29.1703 65.2272 24.8256 65.2273 32.8763 GPRESSAVG: 2478800 4.38684 42.7177 23.0345 42.0882 -28.8121 66.4689 24.978 63.7837 33.1553 TIMING: 2478800 CPU: 7183.31, 0.00290481/step Wall: 7183.31, 0.00290481/step, 2.03434 hours remaining, 212.625000 MB of memory in use. ENERGY: 2478800 753.7564 2126.9357 1947.5930 129.2488 -206776.8569 18021.0730 0.0000 0.0000 34382.8289 -149415.4210 300.2738 -183798.2499 -149323.5989 299.0653 -3.3659 31.0025 557395.7415 2.8531 2.9100 PRESSURE: 2479000 -83.23 -23.0916 -212.557 -23.0917 -47.9928 -113.913 -212.558 -113.913 -145.742 GPRESSURE: 2479000 -92.651 48.1255 -163.469 -56.3769 -4.47042 -61.4963 -251.516 -114.518 -96.9644 PRESSAVG: 2479000 -52.2574 -4.72637 36.2653 -4.72635 -24.7574 29.6282 36.2653 29.6282 72.2239 GPRESSAVG: 2479000 -52.876 -4.33176 35.4227 -2.95604 -25.9793 26.5895 36.7473 31.2252 73.8786 TIMING: 2479000 CPU: 7183.88, 0.00288345/step Wall: 7183.88, 0.00288345/step, 2.01922 hours remaining, 212.625000 MB of memory in use. ENERGY: 2479000 752.0634 2165.8925 1939.2285 98.0666 -205911.0914 17606.3876 0.0000 0.0000 34103.5312 -149245.9216 297.8346 -183349.4527 -149159.6629 298.6164 -92.3215 -64.6953 557178.0158 -1.5970 -1.6589 PRESSURE: 2479200 -167.357 64.4294 -5.77698 64.431 -73.3601 108.493 -5.77638 108.493 -204.59 GPRESSURE: 2479200 -168.995 97.4681 2.0356 59.3762 -8.49885 61.4794 -17.4579 47.6898 -185.868 PRESSAVG: 2479200 -92.3958 20.697 -34.3761 20.6971 64.6717 -49.0197 -34.3761 -49.0198 36.541 GPRESSAVG: 2479200 -91.5755 20.7751 -32.8481 20.4882 66.1076 -48.0879 -34.4232 -49.4666 34.0986 TIMING: 2479200 CPU: 7184.46, 0.00289521/step Wall: 7184.46, 0.00289521/step, 2.02729 hours remaining, 212.625000 MB of memory in use. ENERGY: 2479200 727.5281 2180.0724 1908.3832 106.7665 -206051.5893 17551.9985 0.0000 0.0000 34376.7529 -149200.0876 300.2207 -183576.8405 -149098.7998 299.3668 -148.4358 -121.1207 559428.2814 2.9390 2.8769 PRESSURE: 2479400 -82.089 -32.0286 -41.1941 -32.0305 -55.3759 210.69 -41.1933 210.69 37.2905 GPRESSURE: 2479400 -91.954 -64.5398 28.3199 44.5542 -5.10933 246.113 -115.89 271.646 75.6442 PRESSAVG: 2479400 -72.5928 -2.30611 -3.30145 -2.30607 -10.6643 -10.3159 -3.30137 -10.316 91.1733 GPRESSAVG: 2479400 -73.3111 -2.46242 -1.86067 -1.73522 -10.7062 -10.4344 -5.45395 -9.77309 92.4323 TIMING: 2479400 CPU: 7185.04, 0.00286563/step Wall: 7185.04, 0.00286563/step, 2.00642 hours remaining, 212.625000 MB of memory in use. ENERGY: 2479400 756.9151 2047.3507 1948.2752 122.7756 -206388.8709 17974.3115 0.0000 0.0000 34296.4900 -149242.7528 299.5198 -183539.2428 -149149.8727 299.9492 -33.3915 -7.1397 559413.7535 2.6387 2.8050 PRESSURE: 2479600 8.7838 11.8842 76.441 11.8838 0.507946 202.316 76.4402 202.317 12.2909 GPRESSURE: 2479600 18.0316 1.2242 101.279 19.5147 46.1307 319.33 89.6466 133.772 61.1186 PRESSAVG: 2479600 -20.3875 -18.8394 58.9997 -18.8395 -5.63295 -44.6738 58.9997 -44.6739 38.9443 GPRESSAVG: 2479600 -20.2684 -18.968 58.9551 -19.1771 -5.30772 -44.9257 60.596 -42.6074 38.626 TIMING: 2479600 CPU: 7185.61, 0.00287896/step Wall: 7185.61, 0.00287896/step, 2.01559 hours remaining, 212.625000 MB of memory in use. ENERGY: 2479600 726.1350 2109.6994 1947.0347 120.7386 -206168.5038 17708.3563 0.0000 0.0000 34271.6541 -149284.8857 299.3029 -183556.5398 -149189.2458 298.8840 7.1942 41.7603 558900.5190 4.3079 4.3500 PRESSURE: 2479800 34.7393 129.149 -25.2738 129.148 11.6004 -130.65 -25.2739 -130.653 -243.743 GPRESSURE: 2479800 12.7505 177.09 -24.5988 4.1328 62.2918 -115.856 -43.3089 -193.713 -160.632 PRESSAVG: 2479800 30.2364 -4.92414 22.4343 -4.92416 -5.38517 -29.0102 22.4343 -29.0102 7.32323 GPRESSAVG: 2479800 30.836 -5.19423 23.7876 -5.0846 -5.00411 -29.0966 21.3603 -31.6339 6.48113 TIMING: 2479800 CPU: 7186.19, 0.0028722/step Wall: 7186.19, 0.0028722/step, 2.0107 hours remaining, 212.625000 MB of memory in use. ENERGY: 2479800 773.5181 2081.1247 1948.0322 119.8366 -206194.6040 17657.1063 0.0000 0.0000 34441.0995 -149173.8867 300.7827 -183614.9862 -149075.0991 299.4382 -65.8011 -28.5298 556248.6643 10.7248 10.7710 PRESSURE: 2480000 -8.18699 -0.835324 -182.638 -0.835668 263.196 26.4168 -182.638 26.4162 206.949 GPRESSURE: 2480000 102.98 59.8476 -161.177 7.56095 265.957 -54.8811 -193.47 154.258 182.82 PRESSAVG: 2480000 -55.1792 -2.84616 -47.0494 -2.84621 3.26199 -24.7826 -47.0495 -24.7824 55.488 GPRESSAVG: 2480000 -54.7628 -4.93708 -47.7613 -4.12168 3.2917 -26.1845 -45.8711 -23.5009 54.4521 TIMING: 2480000 CPU: 7186.76, 0.00286406/step Wall: 7186.76, 0.00286406/step, 2.00484 hours remaining, 212.625000 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: 2480000 694.0999 2064.9759 1969.4568 114.4096 -206150.6948 17874.8192 0.0000 0.0000 34223.3342 -149209.5992 298.8809 -183432.9334 -149117.9559 299.4735 153.9859 183.9190 555766.9123 1.1903 0.9937 PRESSURE: 2480200 -54.4942 120.108 -81.0271 120.109 -207.932 47.606 -81.0276 47.606 120.38 GPRESSURE: 2480200 -24.5691 111.799 -56.1363 63.8487 -173.159 16.4448 -141.246 128.622 152.557 PRESSAVG: 2480200 23.9887 11.998 -17.6174 11.9981 16.6944 34.2503 -17.6174 34.2503 -47.9884 GPRESSAVG: 2480200 24.5333 12.2811 -19.753 13.7305 15.8349 36.2672 -18.9124 33.3823 -47.617 TIMING: 2480200 CPU: 7187.34, 0.00288323/step Wall: 7187.34, 0.00288323/step, 2.0181 hours remaining, 212.625000 MB of memory in use. ENERGY: 2480200 730.7920 2161.4941 1963.3069 113.2119 -206314.7612 17906.0188 0.0000 0.0000 34209.4978 -149230.4397 298.7601 -183439.9374 -149141.1378 299.4687 -47.3488 -15.0571 558200.1589 -2.4351 -2.4163 LDB: ============= START OF LOAD BALANCING ============== 7190.72 LDB: ============== END OF LOAD BALANCING =============== 7190.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7190.72 LDB: ============= START OF LOAD BALANCING ============== 7191.02 LDB: Largest compute 4800 load 0.026258 is 22.3% of average load 0.117854 LDB: Average compute 0.001753 is 1.5% of average load 0.117854 LDB: TIME 7191.02 LOAD: AVG 0.117854 MAX 0.182403 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.328 MB LDB: TIME 7191.02 LOAD: AVG 0.117854 MAX 0.182403 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.398 MB LDB: TIME 7191.02 LOAD: AVG 0.117854 MAX 0.182403 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7191.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7191.02 PRESSURE: 2480400 353.437 104.227 -54.6926 104.226 95.3764 -19.0134 -54.6912 -19.0124 113.341 GPRESSURE: 2480400 400.461 171.539 -104.631 89.3889 109.623 2.07549 -19.4704 -0.5106 152.359 PRESSAVG: 2480400 71.7098 42.2833 20.3873 42.2833 -74.1783 -59.3154 20.3873 -59.3153 18.0429 GPRESSAVG: 2480400 69.6769 45.5444 23.388 40.2057 -73.1001 -60.0928 20.678 -59.053 19.169 TIMING: 2480400 CPU: 7187.93, 0.00296009/step Wall: 7187.93, 0.00296009/step, 2.07173 hours remaining, 208.878906 MB of memory in use. ENERGY: 2480400 761.2040 2088.4811 1945.4657 103.1775 -206663.3837 18307.0052 0.0000 0.0000 34110.7728 -149347.2774 297.8979 -183458.0502 -149245.9042 299.0977 187.3849 220.8141 557595.3987 5.1915 5.2486 PRESSURE: 2480600 200.049 15.3045 -71.9739 15.3049 39.1923 39.2906 -71.9763 39.2931 128.952 GPRESSURE: 2480600 286.513 -22.1612 -29.6609 39.517 47.1039 60.3586 -57.559 -11.7283 140.535 PRESSAVG: 2480600 59.4587 2.64684 -1.84125 2.64679 -76.6803 -48.2406 -1.84127 -48.2405 41.4123 GPRESSAVG: 2480600 59.9461 1.1799 -1.44476 3.86534 -76.2734 -49.4756 -1.25524 -47.5531 40.5951 TIMING: 2480600 CPU: 7188.51, 0.00289711/step Wall: 7188.51, 0.00289711/step, 2.02749 hours remaining, 208.878906 MB of memory in use. ENERGY: 2480600 764.4087 2108.2636 1984.5041 119.0157 -206429.8325 17993.9590 0.0000 0.0000 34232.8278 -149226.8535 298.9638 -183459.6814 -149135.0128 298.7740 122.7312 158.0509 556020.6615 8.0635 8.0893 PRESSURE: 2480800 23.0677 -12.2278 67.1313 -12.2265 -1.85792 0.344687 67.1324 0.344184 -107.381 GPRESSURE: 2480800 45.1985 20.1852 -30.9572 -29.2514 50.434 -6.34778 18.2591 5.59843 -98.2145 PRESSAVG: 2480800 17.142 42.764 -52.0891 42.7642 -20.3922 -0.928962 -52.0892 -0.929129 39.1016 GPRESSAVG: 2480800 18.5031 43.2103 -52.3228 41.9114 -21.3382 -0.424106 -54.1669 -0.146302 38.8808 TIMING: 2480800 CPU: 7189.08, 0.00288387/step Wall: 7189.08, 0.00288387/step, 2.01807 hours remaining, 208.878906 MB of memory in use. ENERGY: 2480800 756.0645 2109.6992 1955.1928 103.9000 -205934.3899 17816.4530 0.0000 0.0000 34304.3296 -148888.7509 299.5882 -183193.0805 -148796.0374 299.5350 -28.7238 -0.8606 557220.6376 11.9505 12.0152 PRESSURE: 2481000 238.954 25.9678 -95.6667 25.9687 -244.919 113.213 -95.667 113.215 192.105 GPRESSURE: 2481000 289.061 68.0353 -67.3546 -36.5057 -220.633 157.631 -47.1665 176.116 207.571 PRESSAVG: 2481000 56.3094 49.3278 1.00025 49.3278 -23.2508 -22.5732 1.00028 -22.5733 18.2465 GPRESSAVG: 2481000 55.5996 49.1512 -1.01694 49.0965 -22.5361 -20.1073 3.43504 -25.6589 19.0338 TIMING: 2481000 CPU: 7189.66, 0.00289071/step Wall: 7189.66, 0.00289071/step, 2.02269 hours remaining, 208.878906 MB of memory in use. ENERGY: 2481000 754.6701 2161.2432 1949.6253 114.5600 -206194.2620 17946.7395 0.0000 0.0000 34282.0883 -148985.3355 299.3940 -183267.4238 -148880.9989 300.0630 62.0469 91.9994 557215.4428 17.1017 17.3658 PRESSURE: 2481200 19.174 -106.326 -154.126 -106.327 1.12123 109.504 -154.128 109.501 228.024 GPRESSURE: 2481200 60.249 -5.94698 -168.915 -183.362 44.5583 146.504 -103.695 -1.44693 249.369 PRESSAVG: 2481200 -54.2878 0.697752 -1.96316 0.697804 30.1883 -1.90603 -1.96315 -1.90603 22.2806 GPRESSAVG: 2481200 -54.4835 0.619915 -2.17876 0.316354 29.5987 -4.94893 -2.11411 1.14209 22.4438 TIMING: 2481200 CPU: 7190.24, 0.00288637/step Wall: 7190.24, 0.00288637/step, 2.01949 hours remaining, 208.878906 MB of memory in use. ENERGY: 2481200 719.1407 2097.7608 1942.9235 107.3933 -206421.3783 18025.3624 0.0000 0.0000 34359.5172 -149169.2804 300.0702 -183528.7976 -149066.4074 299.1368 82.7732 118.0589 557103.7386 -0.6063 -0.8137 PRESSURE: 2481400 -239.441 -109.441 74.0985 -109.442 -120.15 -95.2321 74.0986 -95.232 -104.574 GPRESSURE: 2481400 -215.304 -168.788 56.4414 -57.9414 -57.6924 -119.918 68.329 -137.465 -96.7751 PRESSAVG: 2481400 35.7552 -29.2586 22.5575 -29.2587 12.1929 -72.9945 22.5575 -72.9946 1.36059 GPRESSAVG: 2481400 35.9032 -28.9199 23.6221 -28.4678 12.4305 -71.1979 22.6936 -77.0383 0.864556 TIMING: 2481400 CPU: 7190.82, 0.00287974/step Wall: 7190.82, 0.00287974/step, 2.0147 hours remaining, 208.878906 MB of memory in use. ENERGY: 2481400 725.7559 2097.4554 1966.1509 118.4394 -205804.2669 17614.4400 0.0000 0.0000 34298.2897 -148983.7356 299.5355 -183282.0253 -148881.1192 300.2240 -154.7215 -123.2571 559457.4597 16.4362 16.3994 PRESSURE: 2481600 -238.35 94.5653 118.061 94.5662 139.529 -144.624 118.063 -144.623 84.8444 GPRESSURE: 2481600 -253.787 67.5743 60.1093 109.941 173.467 -196.827 118.023 -182.245 165.528 PRESSAVG: 2481600 -62.1756 -11.5611 -19.7362 -11.5611 43.0844 -65.5476 -19.7362 -65.5475 -5.21112 GPRESSAVG: 2481600 -62.539 -12.4913 -19.0219 -11.0432 43.369 -66.3292 -18.8945 -62.8602 -5.12411 TIMING: 2481600 CPU: 7191.39, 0.00288611/step Wall: 7191.39, 0.00288611/step, 2.019 hours remaining, 208.878906 MB of memory in use. ENERGY: 2481600 733.6846 2106.1589 1943.3970 117.8169 -205956.2493 17752.1911 0.0000 0.0000 34280.6528 -149022.3480 299.3815 -183303.0007 -148920.4163 300.1991 -4.6590 28.4025 557637.4159 -8.1008 -8.0981 PRESSURE: 2481800 75.5218 33.3131 142.588 33.3136 77.0761 20.7715 142.587 20.7697 -109.108 GPRESSURE: 2481800 57.2354 1.55081 208.676 76.9402 67.5938 32.7567 149.47 -16.5929 12.4916 PRESSAVG: 2481800 -93.3517 28.2433 -7.14224 28.2434 54.0934 -44.6447 -7.14224 -44.6448 25.908 GPRESSAVG: 2481800 -92.6694 27.3557 -9.23003 27.6655 53.3909 -45.0241 -7.67524 -43.2246 26.1702 TIMING: 2481800 CPU: 7191.97, 0.00290324/step Wall: 7191.97, 0.00290324/step, 2.03081 hours remaining, 208.878906 MB of memory in use. ENERGY: 2481800 750.3797 2051.2183 1961.1952 118.4762 -206243.8575 17875.1471 0.0000 0.0000 34341.3699 -149146.0710 299.9117 -183487.4409 -149050.2039 299.7518 14.4967 45.7736 558147.6894 -4.4501 -4.3694 PRESSURE: 2482000 -69.4618 117.971 -41.5639 117.972 158.476 -144.712 -41.5648 -144.712 219.687 GPRESSURE: 2482000 -13.7594 104.823 -21.6741 74.6101 168.338 -111.559 39.2465 -130.03 252.829 PRESSAVG: 2482000 -51.7887 51.8086 43.1917 51.8086 41.213 -35.9977 43.1917 -35.9976 57.3675 GPRESSAVG: 2482000 -52.3939 54.9027 43.4834 51.4831 41.3888 -35.576 43.272 -36.7201 57.9096 TIMING: 2482000 CPU: 7192.55, 0.00290058/step Wall: 7192.55, 0.00290058/step, 2.02879 hours remaining, 208.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2482000 746.7725 2043.2143 1963.9802 113.5826 -206523.8141 18083.5755 0.0000 0.0000 34460.0824 -149112.6066 300.9485 -183572.6890 -149018.8233 299.4574 102.9004 135.8024 557572.8351 15.5973 15.6348 PRESSURE: 2482200 -1.15306 -60.3855 -32.6237 -60.3864 -22.6359 91.1713 -32.6246 91.1724 -232.605 GPRESSURE: 2482200 9.83188 -34.2417 -53.9798 38.0791 -20.4794 97.9308 -7.6343 120.922 -138.686 PRESSAVG: 2482200 -57.227 -10.626 11.1081 -10.626 -3.89597 -22.0858 11.108 -22.0857 40.8964 GPRESSAVG: 2482200 -56.6359 -10.0197 9.86203 -11.9337 -3.85568 -23.6304 10.1569 -22.2033 40.5399 TIMING: 2482200 CPU: 7193.13, 0.00289166/step Wall: 7193.13, 0.00289166/step, 2.0224 hours remaining, 208.878906 MB of memory in use. ENERGY: 2482200 749.8497 2066.5915 1960.8129 115.5648 -206004.9753 17735.0803 0.0000 0.0000 34358.8838 -149018.1922 300.0647 -183377.0760 -148917.5910 299.5306 -85.4646 -49.7779 558132.2584 -6.7422 -6.6506 PRESSURE: 2482400 61.6042 -150.865 -46.2708 -150.864 126.562 87.3337 -46.2705 87.3338 -40.9958 GPRESSURE: 2482400 151.48 -104.188 -126.75 -184.299 112.382 126.606 -49.8847 28.3291 -25.9795 PRESSAVG: 2482400 17.6648 -36.901 -13.8011 -36.9011 57.1672 37.1026 -13.8012 37.1025 -33.5794 GPRESSAVG: 2482400 17.4692 -37.6587 -12.4232 -36.5155 57.4266 39.3078 -15.0806 34.5847 -33.7444 TIMING: 2482400 CPU: 7193.71, 0.00286825/step Wall: 7193.71, 0.00286825/step, 2.00586 hours remaining, 208.878906 MB of memory in use. ENERGY: 2482400 774.7756 2106.2327 1955.8537 112.9491 -206129.2045 17824.5986 0.0000 0.0000 34335.1463 -149019.6484 299.8574 -183354.7947 -148934.2843 300.0455 49.0568 79.2944 556812.6306 13.7509 13.7171 PRESSURE: 2482600 87.0897 -15.692 -53.9146 -15.6931 -34.3646 72.8228 -53.9152 72.8227 67.0055 GPRESSURE: 2482600 132.179 -2.06462 -79.4312 -47.5122 19.7939 76.4888 -72.6025 46.6932 68.2148 PRESSAVG: 2482600 34.184 -15.2804 -14.3469 -15.2804 11.5227 27.6625 -14.3469 27.6626 -38.802 GPRESSAVG: 2482600 34.6446 -16.0506 -11.8184 -13.9144 11.0425 25.7338 -15.0474 31.5322 -38.9304 TIMING: 2482600 CPU: 7194.29, 0.00290276/step Wall: 7194.29, 0.00290276/step, 2.02984 hours remaining, 208.878906 MB of memory in use. ENERGY: 2482600 753.1442 2095.3755 1950.0899 114.6705 -206055.7715 17726.4126 0.0000 0.0000 34230.9649 -149185.1140 298.9475 -183416.0789 -149100.6545 299.7341 39.9102 73.3959 557329.4934 2.3016 2.2522 PRESSURE: 2482800 90.3508 49.2789 -49.233 49.2772 22.646 39.7105 -49.2327 39.7115 -336.169 GPRESSURE: 2482800 54.3914 -104.053 -81.2437 106.793 81.7886 -8.17233 -8.69956 181.676 -278.087 PRESSAVG: 2482800 57.0522 -1.90641 -17.229 -1.90654 -72.8811 72.1003 -17.2289 72.1002 50.1508 GPRESSAVG: 2482800 56.9113 -2.81059 -18.8912 -0.411788 -74.3128 72.7475 -16.8463 70.1161 50.9734 TIMING: 2482800 CPU: 7194.87, 0.00289972/step Wall: 7194.87, 0.00289972/step, 2.02755 hours remaining, 208.878906 MB of memory in use. ENERGY: 2482800 761.5546 2092.5769 1962.5872 120.6773 -206239.0607 17783.3559 0.0000 0.0000 34356.2534 -149162.0555 300.0417 -183518.3089 -149061.3287 299.5875 -74.3908 -47.3024 556925.0184 11.4407 11.1906 PRESSURE: 2483000 151.392 0.581094 123.327 0.581368 -126.953 -174.885 123.328 -174.886 -103.33 GPRESSURE: 2483000 156.385 17.3994 153.944 -9.35704 -107.554 -225.936 151.633 -180.216 -25.0054 PRESSAVG: 2483000 -0.613902 -14.6193 -24.003 -14.6194 -10.6958 0.895094 -24.003 0.895042 -9.19645 GPRESSAVG: 2483000 -0.578031 -13.9591 -23.711 -15.0605 -10.3777 -0.865125 -23.2982 2.44429 -9.52167 TIMING: 2483000 CPU: 7195.44, 0.00288893/step Wall: 7195.44, 0.00288893/step, 2.01984 hours remaining, 208.878906 MB of memory in use. ENERGY: 2483000 741.1253 2097.7582 1967.3477 116.5298 -206067.7210 17717.5312 0.0000 0.0000 34090.7379 -149336.6908 297.7229 -183427.4288 -149243.3263 299.5640 -26.2971 7.9417 557482.9702 -6.8354 -6.8258 PRESSURE: 2483200 -99.0866 -168.516 -48.6343 -168.516 138.045 88.9512 -48.6344 88.9517 -58.3487 GPRESSURE: 2483200 -105.688 -72.6065 -55.3979 -183.877 209.17 37.7526 -107.272 99.3719 -25.7681 PRESSAVG: 2483200 -53.1981 13.7548 8.3663 13.7547 5.19322 -18.7705 8.36638 -18.7706 18.7304 GPRESSAVG: 2483200 -54.7716 13.069 8.98791 12.5902 5.75879 -17.4471 7.45669 -19.4503 18.9192 TIMING: 2483200 CPU: 7196.02, 0.0029015/step Wall: 7196.02, 0.0029015/step, 2.02847 hours remaining, 208.878906 MB of memory in use. ENERGY: 2483200 710.1369 2111.2876 1964.4128 114.3312 -206347.0483 17788.3046 0.0000 0.0000 34148.1030 -149510.4723 298.2239 -183658.5753 -149427.3219 298.7258 -6.4633 25.9049 557701.1727 -9.7581 -10.0312 PRESSURE: 2483400 -16.0219 -22.2244 -7.63203 -22.2237 -84.1476 -140.468 -7.63186 -140.469 116.375 GPRESSURE: 2483400 17.2139 31.5114 6.68649 -96.2436 -81.0291 -212.791 -50.232 -107.792 173.292 PRESSAVG: 2483400 -22.6987 -38.5823 0.544336 -38.5823 -45.7142 13.7898 0.544256 13.7899 60.643 GPRESSAVG: 2483400 -23.0214 -39.4776 -2.45758 -38.242 -45.6596 12.6138 2.49156 14.763 60.2256 TIMING: 2483400 CPU: 7196.6, 0.00289386/step Wall: 7196.6, 0.00289386/step, 2.02297 hours remaining, 208.878906 MB of memory in use. ENERGY: 2483400 751.1002 2087.1064 1959.2764 109.2809 -206354.4365 17907.5145 0.0000 0.0000 33987.3980 -149552.7602 296.8204 -183540.1581 -149465.7547 298.4232 5.4018 36.4922 556905.2453 -2.5899 -2.8185 PRESSURE: 2483600 53.1098 -75.7769 155.938 -75.7761 -150.932 -4.25787 155.939 -4.25833 200.388 GPRESSURE: 2483600 60.23 38.3018 138.5 -83.3192 -127.001 29.3639 143.861 41.1581 272.467 PRESSAVG: 2483600 10.2633 -2.44755 52.8876 -2.44753 -18.106 -59.0567 52.8877 -59.0568 68.827 GPRESSAVG: 2483600 11.5349 0.927933 55.9362 -2.74627 -18.8135 -59.7833 50.274 -57.9367 67.7177 TIMING: 2483600 CPU: 7197.18, 0.00289038/step Wall: 7197.18, 0.00289038/step, 2.02038 hours remaining, 208.878906 MB of memory in use. ENERGY: 2483600 782.8296 2055.2456 1949.2847 112.1447 -206796.5733 18137.2047 0.0000 0.0000 34122.0322 -149637.8318 297.9962 -183759.8640 -149539.4275 297.5746 34.1889 68.5653 556882.5924 20.3281 20.1464 PRESSURE: 2483800 -101.261 13.2192 172.898 13.2199 72.9312 25.9087 172.899 25.9101 116.282 GPRESSURE: 2483800 -62.9228 -30.4222 92.6035 28.2944 81.424 -64.4992 164.654 60.3913 168.164 PRESSAVG: 2483800 3.93986 21.7754 -35.7119 21.7754 -21.6102 -35.5408 -35.7119 -35.5409 4.32946 GPRESSAVG: 2483800 3.36638 18.0056 -35.9195 20.7591 -21.8762 -35.3065 -35.11 -36.2033 5.00059 TIMING: 2483800 CPU: 7197.76, 0.00288922/step Wall: 7197.76, 0.00288922/step, 2.0194 hours remaining, 208.878906 MB of memory in use. ENERGY: 2483800 735.9017 2092.4489 1952.7846 107.0969 -206583.3415 17804.5055 0.0000 0.0000 34303.2918 -149587.3122 299.5792 -183890.6041 -149489.8643 298.7618 29.3174 62.2216 558057.8457 -4.4469 -4.5031 PRESSURE: 2484000 -265.348 -119.741 2.49133 -119.741 -126.816 133.756 2.49161 133.758 113.699 GPRESSURE: 2484000 -209.093 -111.107 95.4418 -107.42 -35.4026 108.587 23.0308 118.995 73.3275 PRESSAVG: 2484000 13.4474 28.5983 -29.383 28.5983 56.6301 -16.6189 -29.3829 -16.6188 -49.741 GPRESSAVG: 2484000 13.5166 31.012 -28.3482 30.0773 56.8427 -14.5501 -31.9266 -18.4347 -50.4461 TIMING: 2484000 CPU: 7198.34, 0.00289343/step Wall: 7198.34, 0.00289343/step, 2.02218 hours remaining, 208.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2484000 698.1216 2136.7751 1954.3611 111.1875 -206240.3463 17632.3120 0.0000 0.0000 34143.3960 -149564.1929 298.1828 -183707.5889 -149467.8484 298.5136 -92.8218 -57.0559 557460.1730 6.7788 6.6378 PRESSURE: 2484200 -112.47 74.9404 127.608 74.9403 -72.8537 -115.599 127.608 -115.599 101.933 GPRESSURE: 2484200 -35.5866 21.2011 99.6339 55.2585 -39.5392 -14.2519 77.3591 -190.644 88.0611 PRESSAVG: 2484200 -51.705 73.8938 -79.9665 73.8937 46.4807 -39.1331 -79.9664 -39.133 20.8323 GPRESSAVG: 2484200 -50.2441 71.6375 -80.7469 76.21 46.1768 -40.0825 -75.7734 -38.996 20.2321 TIMING: 2484200 CPU: 7198.92, 0.00293069/step Wall: 7198.92, 0.00293069/step, 2.04807 hours remaining, 208.878906 MB of memory in use. ENERGY: 2484200 712.7804 2078.9684 1957.3875 112.8447 -206500.7388 17783.9490 0.0000 0.0000 34417.4172 -149437.3914 300.5759 -183854.8087 -149334.5957 298.8041 -27.7970 4.3118 558096.6524 5.2027 5.3883 LDB: ============= START OF LOAD BALANCING ============== 7202.31 LDB: ============== END OF LOAD BALANCING =============== 7202.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7202.31 LDB: ============= START OF LOAD BALANCING ============== 7202.6 LDB: Largest compute 4800 load 0.024555 is 20.8% of average load 0.117943 LDB: Average compute 0.001756 is 1.5% of average load 0.117943 LDB: TIME 7202.61 LOAD: AVG 0.117943 MAX 0.178802 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 7202.61 LOAD: AVG 0.117943 MAX 0.178802 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: TIME 7202.61 LOAD: AVG 0.117943 MAX 0.178802 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7202.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7202.61 PRESSURE: 2484400 27.3534 60.57 -36.3665 60.5706 -237.163 -132.534 -36.3682 -132.533 -198.732 GPRESSURE: 2484400 13.5404 86.3835 -22.1149 105.926 -142.753 -183.952 -89.8115 -161.293 -188.185 PRESSAVG: 2484400 27.7364 35.6725 -4.15167 35.6726 11.2044 -27.3865 -4.1516 -27.3864 12.2329 GPRESSAVG: 2484400 25.6909 37.5754 -4.89706 34.4719 11.197 -25.8035 -4.35898 -27.988 14.6186 TIMING: 2484400 CPU: 7199.52, 0.00296891/step Wall: 7199.52, 0.00296891/step, 2.07461 hours remaining, 208.398438 MB of memory in use. ENERGY: 2484400 764.9111 2076.1659 1957.7809 97.5617 -206393.8918 17755.5908 0.0000 0.0000 34128.7571 -149613.1243 298.0549 -183741.8814 -149515.4500 298.4242 -136.1805 -105.7992 558642.7396 17.0579 17.1688 PRESSURE: 2484600 -238.515 177.253 -42.1609 177.253 -19.5509 35.2815 -42.1615 35.2813 -253.619 GPRESSURE: 2484600 -155.413 120.499 -13.6039 190.203 -62.2104 24.1615 -20.5055 -60.7439 -194.456 PRESSAVG: 2484600 11.4548 49.3425 2.98962 49.3425 -32.6214 -56.3745 2.98964 -56.3745 -27.303 GPRESSAVG: 2484600 12.4054 49.5403 2.28946 46.7488 -31.7439 -56.4533 2.47192 -56.51 -29.1179 TIMING: 2484600 CPU: 7200.1, 0.00289583/step Wall: 7200.1, 0.00289583/step, 2.02338 hours remaining, 208.398438 MB of memory in use. ENERGY: 2484600 709.0540 2118.1031 1976.6981 114.8640 -206385.6171 17581.4710 0.0000 0.0000 34264.9365 -149620.4904 299.2442 -183885.4269 -149529.0304 298.1668 -170.5618 -137.3599 558526.7638 -16.1566 -16.1521 PRESSURE: 2484800 -332.551 -131.872 -192.813 -131.873 165.62 -159.771 -192.812 -159.771 -106.084 GPRESSURE: 2484800 -284.122 -144.888 -96.5793 -142.032 162.808 -166.762 -273.642 -160.176 -51.1365 PRESSAVG: 2484800 -28.2347 -16.3249 -5.10837 -16.3249 18.0467 -4.33561 -5.10851 -4.33559 35.8292 GPRESSAVG: 2484800 -26.9113 -15.4547 -3.19233 -14.9203 16.6755 -5.32728 -6.0839 -3.2835 35.6673 TIMING: 2484800 CPU: 7200.68, 0.00289288/step Wall: 7200.68, 0.00289288/step, 2.02116 hours remaining, 208.398438 MB of memory in use. ENERGY: 2484800 772.7907 2098.6026 1956.3162 109.2220 -206379.3350 17827.6276 0.0000 0.0000 33935.0970 -149679.6789 296.3636 -183614.7759 -149585.7550 298.0888 -91.0052 -57.4834 558530.3213 8.5471 8.4772 PRESSURE: 2485000 -206.411 6.66188 -19.5222 6.66176 -160.671 -188.018 -19.5232 -188.019 236.136 GPRESSURE: 2485000 -201.146 -15.4678 -66.1049 32.6242 -74.6906 -98.5259 -11.1031 -171.894 249.095 PRESSAVG: 2485000 -24.5147 8.73739 -16.8626 8.73741 6.61032 -51.4428 -16.8626 -51.4426 -24.1254 GPRESSAVG: 2485000 -26.1222 7.34273 -18.682 8.57998 7.02114 -50.8506 -16.9245 -52.2301 -22.953 TIMING: 2485000 CPU: 7201.26, 0.00291184/step Wall: 7201.26, 0.00291184/step, 2.03424 hours remaining, 208.453125 MB of memory in use. ENERGY: 2485000 766.4105 2104.9629 1945.5112 114.7734 -206667.7875 17842.8746 0.0000 0.0000 34260.5789 -149632.6760 299.2062 -183893.2549 -149538.4918 298.0671 -43.6486 -8.9140 557508.9863 -14.0099 -14.0180 PRESSURE: 2485200 -122.061 -45.0007 -48.7599 -45.0001 84.5533 11.4179 -48.7577 11.4151 -81.4081 GPRESSURE: 2485200 -51.434 8.70892 -97.4898 -88.345 47.7348 -37.2972 58.0939 43.6077 -34.7598 PRESSAVG: 2485200 7.37087 -13.5213 17.2153 -13.5214 40.6646 -53.1641 17.2153 -53.1641 -51.1992 GPRESSAVG: 2485200 8.38182 -14.0764 18.5264 -12.8718 40.8986 -52.7526 18.7939 -52.8331 -52.7581 TIMING: 2485200 CPU: 7201.84, 0.00291854/step Wall: 7201.84, 0.00291854/step, 2.03876 hours remaining, 208.453125 MB of memory in use. ENERGY: 2485200 763.0856 2072.4680 1981.0052 107.2340 -206567.6286 17859.0726 0.0000 0.0000 34145.2233 -149639.5399 298.1987 -183784.7633 -149543.0065 298.6194 -39.6387 -12.8197 557412.8632 -1.0546 -1.1592 PRESSURE: 2485400 -218.08 -154.799 22.1173 -154.798 -206.215 10.0776 22.1187 10.0771 -123.44 GPRESSURE: 2485400 -174.157 -169.7 27.6613 -222.662 -181.759 -31.0634 58.1549 63.588 -89.4572 PRESSAVG: 2485400 -13.9416 -17.8358 -17.591 -17.8358 -18.4246 6.69065 -17.5909 6.69053 25.7353 GPRESSAVG: 2485400 -14.781 -17.2129 -18.5102 -18.8452 -18.265 4.38853 -19.2389 8.17243 26.6063 TIMING: 2485400 CPU: 7202.42, 0.00290286/step Wall: 7202.42, 0.00290286/step, 2.02765 hours remaining, 208.453125 MB of memory in use. ENERGY: 2485400 727.7067 2128.6505 1949.2980 126.5856 -206594.2056 17777.4244 0.0000 0.0000 34231.6589 -149652.8816 298.9536 -183884.5404 -149559.6240 298.7319 -182.5784 -148.4577 557665.1357 -2.2103 -2.1466 PRESSURE: 2485600 -14.4001 -91.3909 13.5203 -91.3911 40.1989 -199.206 13.5195 -199.206 39.4406 GPRESSURE: 2485600 -6.5744 -138.99 27.0717 -67.7026 88.0132 -87.7163 41.8638 -237.235 73.1539 PRESSAVG: 2485600 -16.1095 17.3098 -17.568 17.3098 -59.5176 -53.4018 -17.568 -53.4018 65.0641 GPRESSAVG: 2485600 -15.8895 15.1031 -18.4476 19.5125 -59.8265 -51.7234 -16.8427 -55.8775 65.6318 TIMING: 2485600 CPU: 7203, 0.00288183/step Wall: 7203, 0.00288183/step, 2.0128 hours remaining, 208.453125 MB of memory in use. ENERGY: 2485600 768.7554 2119.9997 1947.8248 133.0998 -206467.9138 17869.2229 0.0000 0.0000 33886.2614 -149742.7498 295.9371 -183629.0112 -149652.0869 297.7128 21.7465 51.5309 556535.6739 -3.5210 -3.3614 PRESSURE: 2485800 -258.56 -167.651 47.3976 -167.652 77.685 -81.9831 47.3967 -81.9821 74.8391 GPRESSURE: 2485800 -171.514 -170.699 40.0861 -216.87 81.8427 -73.2433 84.4443 -157.667 94.7412 PRESSAVG: 2485800 -4.71858 -51.3708 13.4862 -51.3707 34.9936 -15.0627 13.4863 -15.0628 -45.4854 GPRESSAVG: 2485800 -4.03894 -48.7397 12.9656 -53.6796 35.7203 -16.9242 12.855 -13.8237 -46.8113 TIMING: 2485800 CPU: 7203.57, 0.00287076/step Wall: 7203.57, 0.00287076/step, 2.00491 hours remaining, 208.453125 MB of memory in use. ENERGY: 2485800 729.7865 2106.8954 1936.2025 124.2698 -206685.2451 17851.0394 0.0000 0.0000 34229.8354 -149707.2160 298.9377 -183937.0515 -149610.5711 297.7892 -35.3452 1.6899 555854.0804 -5.0701 -5.0433 PRESSURE: 2486000 -52.6023 15.5337 140.601 15.5337 119.818 89.5785 140.6 89.5772 186.513 GPRESSURE: 2486000 -51.6555 -18.401 114.967 53.1356 107.139 -19.2484 110.926 91.8724 295.673 PRESSAVG: 2486000 81.2421 -60.6295 -25.1901 -60.6295 -17.4529 27.6388 -25.1901 27.6388 -20.8091 GPRESSAVG: 2486000 79.573 -61.308 -25.1896 -61.1544 -17.0945 27.033 -24.2087 27.5537 -19.639 TIMING: 2486000 CPU: 7204.15, 0.00287917/step Wall: 7204.15, 0.00287917/step, 2.01062 hours remaining, 208.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2486000 777.2058 2107.0894 1938.5512 108.8055 -206784.3261 18073.0056 0.0000 0.0000 34200.8648 -149578.8039 298.6847 -183779.6686 -149485.8974 298.9540 84.5763 117.0520 556993.0345 14.3267 14.2798 PRESSURE: 2486200 9.00848 -6.4828 -86.9844 -6.48232 -437.414 -118.037 -86.9847 -118.037 -104.429 GPRESSURE: 2486200 17.162 -66.2132 -110.672 62.5376 -403.647 -7.973 -87.8284 -160.583 -52.5311 PRESSAVG: 2486200 -2.03438 -38.1374 -28.2679 -38.1373 -51.0502 41.666 -28.2679 41.666 53.5064 GPRESSAVG: 2486200 -0.958378 -37.3421 -26.4213 -38.4049 -51.5245 42.8344 -28.2378 41.5617 52.6505 TIMING: 2486200 CPU: 7204.72, 0.00287493/step Wall: 7204.72, 0.00287493/step, 2.0075 hours remaining, 208.453125 MB of memory in use. ENERGY: 2486200 745.8400 2170.8647 1941.1024 98.5790 -206147.6949 17586.9532 0.0000 0.0000 34223.2856 -149381.0700 298.8805 -183604.3556 -149283.6184 298.6194 -177.6116 -146.3388 556698.3680 0.1406 0.0559 PRESSURE: 2486400 44.8262 -10.0755 -14.3879 -10.0765 29.1996 -34.2492 -14.3885 -34.2499 39.6157 GPRESSURE: 2486400 99.9456 -64.4181 53.7647 37.1454 -7.25499 -38.425 -132.609 24.8541 102.029 PRESSAVG: 2486400 61.5006 -26.4407 -0.800043 -26.4407 -70.8899 -15.2394 -0.800205 -15.2394 4.99142 GPRESSAVG: 2486400 60.592 -28.7404 -2.37562 -24.1234 -70.36 -17.2502 -1.06067 -13.4003 4.80116 TIMING: 2486400 CPU: 7205.3, 0.00287356/step Wall: 7205.3, 0.00287355/step, 2.00638 hours remaining, 208.453125 MB of memory in use. ENERGY: 2486400 734.7860 2099.2489 1960.3700 117.5430 -206106.8254 17778.4870 0.0000 0.0000 34029.8800 -149386.5105 297.1914 -183416.3905 -149295.5108 298.0790 37.8805 64.9067 558332.5323 -1.4660 -1.6556 PRESSURE: 2486600 -36.4942 -230.155 -24.5912 -230.157 30.9246 89.5196 -24.5896 89.5179 114.931 GPRESSURE: 2486600 3.0704 -190.541 -59.9006 -242.336 19.8776 118.754 28.2422 5.54163 177.757 PRESSAVG: 2486600 -8.74517 -32.3762 -0.589344 -32.3762 -34.1914 37.263 -0.589445 37.2629 44.4589 GPRESSAVG: 2486600 -7.62591 -31.7367 0.114419 -30.7636 -34.9408 38.2823 0.254985 34.5448 43.9851 TIMING: 2486600 CPU: 7205.87, 0.00287647/step Wall: 7205.87, 0.00287647/step, 2.00825 hours remaining, 208.453125 MB of memory in use. ENERGY: 2486600 751.9041 2095.8808 1970.9164 107.3716 -206522.9514 17982.6698 0.0000 0.0000 34219.8717 -149394.3372 298.8507 -183614.2089 -149289.3949 298.4015 36.4539 66.9016 558431.5299 0.5074 0.4728 PRESSURE: 2486800 -166.494 -100.117 39.4317 -100.117 -347.271 -98.3938 39.4316 -98.3945 -61.4 GPRESSURE: 2486800 -151.003 -102.226 -8.76395 -43.1001 -298.358 -43.2169 48.4738 -34.6981 -29.7999 PRESSAVG: 2486800 -33.9679 -35.3063 -48.289 -35.3063 8.92968 15.9365 -48.289 15.9365 24.1028 GPRESSAVG: 2486800 -34.9695 -33.9616 -48.5953 -37.1085 9.10204 15.5489 -48.9444 19.9085 25.0047 TIMING: 2486800 CPU: 7206.45, 0.00287667/step Wall: 7206.45, 0.00287667/step, 2.00823 hours remaining, 208.464844 MB of memory in use. ENERGY: 2486800 783.1243 2107.2948 1941.6742 103.3538 -206344.7862 17836.8053 0.0000 0.0000 34415.3343 -149157.1994 300.5577 -183572.5338 -149058.4974 298.7890 -191.7218 -159.7204 560217.6488 -0.3118 -0.2876 PRESSURE: 2487000 142.003 79.114 2.67746 79.115 54.5698 76.7235 2.67652 76.7224 -61.1539 GPRESSURE: 2487000 144.841 104.634 -81.8733 6.63772 68.0731 83.1853 31.9106 -19.2105 9.32062 PRESSAVG: 2487000 -39.9111 -13.1654 31.9956 -13.1654 36.66 26.6883 31.9956 26.6884 26.2693 GPRESSAVG: 2487000 -40.5549 -13.5646 30.5865 -15.1058 38.1769 28.2005 32.5409 23.8738 25.5904 TIMING: 2487000 CPU: 7207.02, 0.00286707/step Wall: 7207.02, 0.00286707/step, 2.00138 hours remaining, 208.464844 MB of memory in use. ENERGY: 2487000 733.3498 2065.9117 1927.5405 119.8662 -206131.6334 17815.7917 0.0000 0.0000 34483.9542 -148985.2192 301.1569 -183469.1735 -148894.2434 299.7281 45.1398 74.0783 558078.7808 7.6727 7.7375 PRESSURE: 2487200 -57.5371 -31.648 -71.1327 -31.6475 -301.672 34.5528 -71.1322 34.5528 62.1633 GPRESSURE: 2487200 -44.0422 5.96576 -91.9459 -30.3519 -262.154 77.8717 -52.1053 88.2621 111.47 PRESSAVG: 2487200 -32.6112 16.3063 -10.5637 16.3063 -17.9878 45.3912 -10.5637 45.3912 72.574 GPRESSAVG: 2487200 -32.1887 18.1824 -9.31538 17.483 -19.015 44.6978 -11.0785 45.4863 73.2281 TIMING: 2487200 CPU: 7207.6, 0.00288401/step Wall: 7207.6, 0.00288401/step, 2.01304 hours remaining, 208.464844 MB of memory in use. ENERGY: 2487200 774.6189 2035.1197 1954.3147 118.3106 -206010.0833 17716.9244 0.0000 0.0000 34432.7784 -148978.0167 300.7100 -183410.7950 -148877.9877 300.2507 -99.0152 -64.9087 556716.7152 7.3250 7.3415 PRESSURE: 2487400 -4.1566 -37.957 -84.4733 -37.9566 227.948 -19.6675 -84.474 -19.6694 -187.211 GPRESSURE: 2487400 93.4975 -44.3278 -1.83914 -7.83816 188.447 -62.0527 -93.862 87.0454 -157.689 PRESSAVG: 2487400 29.1701 56.3636 -4.11753 56.3636 -30.8836 15.6516 -4.11762 15.6516 -16.5552 GPRESSAVG: 2487400 29.4861 54.031 -1.86108 58.127 -31.5131 17.0104 -8.15852 12.3049 -17.0813 TIMING: 2487400 CPU: 7208.18, 0.00288718/step Wall: 7208.18, 0.00288718/step, 2.01509 hours remaining, 208.464844 MB of memory in use. ENERGY: 2487400 762.7228 2089.6491 1949.6009 121.2010 -206019.4195 17758.1601 0.0000 0.0000 34128.5638 -149209.5218 298.0532 -183338.0856 -149114.7931 299.0887 12.1934 41.4182 556878.5473 -6.0896 -6.3694 PRESSURE: 2487600 -197.31 -20.8613 47.2649 -20.8614 160.709 -48.8979 47.2649 -48.8997 -77.5187 GPRESSURE: 2487600 -134.43 -34.3009 85.0742 96.8764 148.526 -55.8279 11.3347 -13.0649 -45.059 PRESSAVG: 2487600 10.3699 25.3519 11.3804 25.3519 26.5089 36.7939 11.3804 36.7938 -24.1431 GPRESSAVG: 2487600 10.7545 25.5173 9.39022 22.3362 25.7637 34.7926 14.669 40.4677 -24.0307 TIMING: 2487600 CPU: 7208.76, 0.0029176/step Wall: 7208.76, 0.0029176/step, 2.03616 hours remaining, 208.464844 MB of memory in use. ENERGY: 2487600 726.2633 2081.2841 1953.8152 111.4548 -205870.1258 17641.0411 0.0000 0.0000 34258.9283 -149097.3390 299.1917 -183356.2672 -148999.7169 299.5005 -38.0399 -10.3213 558599.5064 4.2452 4.1625 PRESSURE: 2487800 3.88958 119.842 -15.8405 119.841 -42.418 44.5556 -15.8393 44.5572 255.269 GPRESSURE: 2487800 41.1995 196.753 -4.85095 -63.9371 -13.5763 95.1154 -40.7648 0.478798 293.866 PRESSAVG: 2487800 27.2876 43.1564 32.3142 43.1564 -43.2877 13.7503 32.3142 13.7504 3.11906 GPRESSAVG: 2487800 26.0684 44.3106 31.2819 44.7307 -43.0576 14.5528 32.3432 11.6367 3.63916 TIMING: 2487800 CPU: 7209.34, 0.00289066/step Wall: 7209.34, 0.00289066/step, 2.0172 hours remaining, 208.464844 MB of memory in use. ENERGY: 2487800 760.1934 2108.5619 2006.7222 106.5409 -206317.7833 17921.7452 0.0000 0.0000 34141.2475 -149272.7723 298.1640 -183414.0198 -149170.3452 299.1901 72.2467 107.1632 557097.6006 -4.2937 -4.4500 PRESSURE: 2488000 -106.145 22.8604 -143.366 22.8597 -88.2261 10.9495 -143.366 10.9507 -248.525 GPRESSURE: 2488000 -38.269 34.699 -135.073 49.8998 -79.2475 2.07801 -118.883 -105.129 -225.071 PRESSAVG: 2488000 -41.5334 23.5992 -32.4182 23.5992 9.41283 2.47414 -32.4181 2.4741 19.1028 GPRESSAVG: 2488000 -40.6117 23.613 -30.6918 21.8903 8.69204 0.825384 -31.7094 5.01556 18.9462 TIMING: 2488000 CPU: 7209.92, 0.00288622/step Wall: 7209.92, 0.00288622/step, 2.01394 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2488000 765.0322 2062.7392 1978.2148 106.3002 -206051.4674 17505.2052 0.0000 0.0000 34237.1226 -149396.8533 299.0013 -183633.9758 -149300.2995 298.6615 -147.6322 -114.1958 557049.2183 -4.3393 -4.3245 PRESSURE: 2488200 297.047 -64.0896 -70.8031 -64.089 -142.299 -41.9031 -70.8048 -41.9039 -145.228 GPRESSURE: 2488200 345.012 -140.724 -93.266 1.3633 -117.939 -54.1724 -13.0225 -65.53 -115.882 PRESSAVG: 2488200 85.0314 19.8803 -6.33827 19.8804 -27.3042 5.71494 -6.33821 5.71488 -29.0679 GPRESSAVG: 2488200 85.9684 18.8889 -8.34335 20.3139 -26.2583 5.76059 -7.26114 5.05356 -31.1305 TIMING: 2488200 CPU: 7210.49, 0.00287842/step Wall: 7210.49, 0.00287842/step, 2.00834 hours remaining, 208.464844 MB of memory in use. ENERGY: 2488200 750.1366 2106.6270 1973.4079 111.7772 -206293.4222 17788.6890 0.0000 0.0000 34052.2492 -149510.5353 297.3868 -183562.7846 -149405.0151 298.4575 3.1734 37.0639 556979.9975 9.5531 9.5265 LDB: ============= START OF LOAD BALANCING ============== 7213.88 LDB: ============== END OF LOAD BALANCING =============== 7213.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7213.88 LDB: ============= START OF LOAD BALANCING ============== 7214.17 LDB: Largest compute 4800 load 0.024967 is 21.2% of average load 0.117863 LDB: Average compute 0.001743 is 1.5% of average load 0.117863 LDB: TIME 7214.17 LOAD: AVG 0.117863 MAX 0.178994 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.418 MB LDB: TIME 7214.17 LOAD: AVG 0.117863 MAX 0.178994 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.48 MB LDB: TIME 7214.17 LOAD: AVG 0.117863 MAX 0.178994 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7214.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7214.18 PRESSURE: 2488400 -19.5025 -2.24064 17.8836 -2.24156 345.315 52.6207 17.8839 52.622 -332.898 GPRESSURE: 2488400 63.0521 24.8948 29.0977 -69.6345 320.079 35.4595 -29.0476 -94.4073 -288.106 PRESSAVG: 2488400 37.8159 -30.5461 -21.0314 -30.5462 1.67245 37.7557 -21.0313 37.7557 22.556 GPRESSAVG: 2488400 36.2977 -30.1343 -18.8424 -31.7177 2.15904 36.9097 -22.0355 37.3858 23.7982 TIMING: 2488400 CPU: 7211.08, 0.00295295/step Wall: 7211.08, 0.00295295/step, 2.06018 hours remaining, 208.210938 MB of memory in use. ENERGY: 2488400 772.5394 2101.1551 1968.6990 119.3406 -206058.2821 17692.9877 0.0000 0.0000 34120.7636 -149282.7967 297.9851 -183403.5603 -149183.7632 298.8928 -2.3619 31.6752 556984.6077 20.6814 20.7516 PRESSURE: 2488600 -59.184 -0.0217309 -92.5148 -0.0223377 -60.5739 -148.425 -92.5138 -148.423 -140.086 GPRESSURE: 2488600 -93.1894 -35.6616 -65.9652 -42.2858 25.746 -219.279 -130.015 -65.1957 -94.4336 PRESSAVG: 2488600 31.4608 -30.4264 -12.5673 -30.4265 -25.8248 -7.26508 -12.5672 -7.26509 -31.4831 GPRESSAVG: 2488600 30.9819 -31.6845 -14.1921 -31.109 -26.054 -5.19098 -9.88889 -5.60398 -31.6413 TIMING: 2488600 CPU: 7211.66, 0.00288755/step Wall: 7211.66, 0.00288755/step, 2.01439 hours remaining, 208.468750 MB of memory in use. ENERGY: 2488600 736.9066 2128.2552 1944.3955 118.9919 -206201.6755 17698.6635 0.0000 0.0000 34116.4670 -149457.9958 297.9476 -183574.4628 -149363.2873 298.6271 -86.6147 -53.9590 557229.3536 -8.6157 -8.9045 PRESSURE: 2488800 89.0624 67.7964 113.282 67.795 -193.349 -100.508 113.282 -100.51 16.1013 GPRESSURE: 2488800 110.927 98.933 19.4834 15.9601 -188.607 49.4717 113.174 -172.361 94.296 PRESSAVG: 2488800 18.6073 5.7093 -1.73075 5.70921 8.18537 21.6018 -1.73082 21.6018 7.2972 GPRESSAVG: 2488800 17.903 6.301 0.254815 7.03115 8.76536 21.578 -2.69888 18.0598 6.53242 TIMING: 2488800 CPU: 7212.24, 0.00289937/step Wall: 7212.24, 0.00289937/step, 2.02247 hours remaining, 208.468750 MB of memory in use. ENERGY: 2488800 761.8579 2088.2233 1961.1547 108.1976 -206384.8485 17726.7876 0.0000 0.0000 34445.4675 -149293.1600 300.8208 -183738.6276 -149195.5293 299.0414 -29.3949 5.5387 556111.9829 11.3633 11.0669 PRESSURE: 2489000 -24.5128 -23.254 -109.727 -23.2539 23.2495 61.0946 -109.728 61.0946 -316.269 GPRESSURE: 2489000 -7.79546 26.0628 -71.3696 -37.6954 55.6406 16.2059 -100.39 93.1391 -285.703 PRESSAVG: 2489000 29.0256 -28.9522 -1.31121 -28.9522 15.146 -42.382 -1.31123 -42.382 -9.14868 GPRESSAVG: 2489000 29.2626 -28.2724 -0.623384 -28.8603 13.8442 -43.3363 -1.97662 -42.6273 -8.14666 TIMING: 2489000 CPU: 7212.82, 0.00289914/step Wall: 7212.82, 0.00289914/step, 2.02215 hours remaining, 208.468750 MB of memory in use. ENERGY: 2489000 745.5190 2092.2858 1969.3769 104.9191 -206028.2787 17632.8918 0.0000 0.0000 34312.0686 -149171.2177 299.6558 -183483.2863 -149080.7685 299.4657 -105.8440 -79.2859 557428.7156 11.6743 11.6534 PRESSURE: 2489200 -10.5793 -90.2071 -246.277 -90.2067 -94.4216 -69.2697 -246.276 -69.2702 -204.083 GPRESSURE: 2489200 71.2378 -5.57489 -218.599 -124.213 -113.999 -94.6801 -204.923 -53.2819 -171.884 PRESSAVG: 2489200 15.4608 -75.9271 -5.55191 -75.9271 15.9368 -48.2949 -5.55193 -48.295 -40.6325 GPRESSAVG: 2489200 15.5583 -76.5821 -7.18715 -75.7709 15.614 -46.9536 -4.55182 -47.0518 -40.4624 TIMING: 2489200 CPU: 7213.39, 0.00287754/step Wall: 7213.39, 0.00287754/step, 2.00692 hours remaining, 208.468750 MB of memory in use. ENERGY: 2489200 736.7059 2136.1510 1959.0859 106.2896 -205802.4509 17538.4631 0.0000 0.0000 34265.0053 -149060.7502 299.2448 -183325.7555 -148965.5616 300.5698 -103.0280 -71.5485 558765.2427 -3.0783 -3.0967 PRESSURE: 2489400 -274.891 -6.19456 209.409 -6.19505 23.419 -153.145 209.409 -153.143 -218.207 GPRESSURE: 2489400 -230.098 -82.4106 171.799 -17.3404 47.2021 -250.141 187.052 -96.5789 -192.756 PRESSAVG: 2489400 -12.4196 5.34332 -34.4083 5.34334 1.42138 -30.4415 -34.4083 -30.4415 -21.6928 GPRESSAVG: 2489400 -12.514 6.26994 -34.8238 7.21929 2.0263 -31.4594 -35.3722 -31.1557 -22.5606 TIMING: 2489400 CPU: 7213.98, 0.0029303/step Wall: 7213.98, 0.0029303/step, 2.04356 hours remaining, 208.468750 MB of memory in use. ENERGY: 2489400 761.5633 2140.9429 1992.2437 119.4160 -205874.7101 17570.3199 0.0000 0.0000 34241.8328 -149048.3914 299.0424 -183290.2242 -148956.3050 299.8917 -156.5596 -125.2173 558150.3008 -10.8970 -11.0161 PRESSURE: 2489600 -196.524 -79.6561 38.6864 -79.6571 -227.047 136.425 38.6867 136.426 6.50412 GPRESSURE: 2489600 -151.197 -54.9979 10.1525 -63.9253 -188.578 81.3618 101.4 132.002 28.0296 PRESSAVG: 2489600 -10.2531 -18.7509 9.86019 -18.7509 -17.6624 -54.4386 9.86023 -54.4384 2.48182 GPRESSAVG: 2489600 -10.2998 -18.4322 9.14111 -22.2256 -18.219 -55.9525 10.5174 -54.0795 3.02381 TIMING: 2489600 CPU: 7214.57, 0.00294848/step Wall: 7214.57, 0.00294848/step, 2.05607 hours remaining, 208.468750 MB of memory in use. ENERGY: 2489600 759.5517 2098.3903 1969.3852 121.6433 -205940.2346 17546.4541 0.0000 0.0000 34270.3606 -149174.4495 299.2916 -183444.8101 -149070.8328 300.0267 -139.0223 -103.9154 558191.2805 -8.4779 -8.4983 PRESSURE: 2489800 33.9463 239.366 75.7902 239.365 107.922 125.73 75.7907 125.728 29.7574 GPRESSURE: 2489800 35.3881 278.362 78.2183 290.274 128.087 237.596 -4.13096 49.368 105.86 PRESSAVG: 2489800 -9.96978 -9.67586 20.9166 -9.67589 3.50031 -36.845 20.9166 -36.845 -17.4085 GPRESSAVG: 2489800 -9.52481 -7.78842 21.3376 -10.1402 3.4096 -36.8509 19.4798 -37.2862 -17.3924 TIMING: 2489800 CPU: 7215.15, 0.00291374/step Wall: 7215.15, 0.00291374/step, 2.03169 hours remaining, 208.468750 MB of memory in use. ENERGY: 2489800 754.6566 2044.2961 1935.8756 118.7013 -206499.3560 17923.5077 0.0000 0.0000 34407.0623 -149315.2563 300.4854 -183722.3186 -149218.3862 299.2991 57.2087 89.7784 556361.0939 -7.9593 -7.8359 PRESSURE: 2490000 -349.432 49.6714 122.541 49.672 66.3828 69.429 122.543 69.4294 -156.519 GPRESSURE: 2490000 -338.422 12.8363 152.708 32.9382 133.408 83.7401 101.32 -53.9381 -146.837 PRESSAVG: 2490000 -35.5234 16.8084 37.3867 16.8084 -7.30918 -4.2106 37.3867 -4.21073 33.1711 GPRESSAVG: 2490000 -35.0625 13.2719 37.6035 18.3549 -8.69819 -3.19694 37.5605 -4.90283 33.8444 TIMING: 2490000 CPU: 7215.73, 0.00289778/step Wall: 7215.73, 0.00289778/step, 2.0204 hours remaining, 208.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2490000 754.3465 2076.5289 1943.6150 98.6396 -205987.7843 17590.4329 0.0000 0.0000 34042.0542 -149482.1671 297.2977 -183524.2213 -149390.9696 298.4529 -146.5226 -117.2836 557828.7293 -3.2205 -3.3054 PRESSURE: 2490200 8.83265 123.221 52.126 123.219 6.82759 145.682 52.127 145.681 237.213 GPRESSURE: 2490200 30.0061 180.04 178.978 109.504 81.8503 225.041 -62.1452 138.688 240.491 PRESSAVG: 2490200 -7.89773 23.0799 35.9188 23.08 21.9374 4.89374 35.9188 4.89369 -8.05563 GPRESSAVG: 2490200 -7.40481 24.3146 34.1911 23.7385 23.4908 4.87976 37.7873 7.16915 -9.84414 TIMING: 2490200 CPU: 7216.32, 0.00291213/step Wall: 7216.32, 0.00291213/step, 2.03024 hours remaining, 208.468750 MB of memory in use. ENERGY: 2490200 762.3509 2097.8420 1962.8655 108.8149 -206476.3493 18041.3818 0.0000 0.0000 34161.9526 -149341.1416 298.3448 -183503.0942 -149240.7480 298.9923 84.2912 117.4491 555324.1988 1.9947 2.0806 PRESSURE: 2490400 -188.671 193.402 -107.957 193.403 56.4884 -163.384 -107.956 -163.387 13.9875 GPRESSURE: 2490400 -159.795 204.555 -120.173 211.053 103.589 -151.866 -114.265 -87.8269 42.7925 PRESSAVG: 2490400 -32.018 35.6689 -3.70759 35.6689 43.9199 10.6537 -3.70761 10.6537 -32.6883 GPRESSAVG: 2490400 -34.6838 33.1178 -1.98967 37.8706 44.4615 10.8489 -3.90527 10.7544 -30.8536 TIMING: 2490400 CPU: 7216.89, 0.00288494/step Wall: 7216.89, 0.00288494/step, 2.01112 hours remaining, 208.468750 MB of memory in use. ENERGY: 2490400 733.8573 2116.0734 1933.6374 118.6521 -206157.4319 17750.4050 0.0000 0.0000 34226.0101 -149278.7966 298.9043 -183504.8066 -149181.0993 299.6795 -39.3982 -4.4710 557926.2180 -6.9288 -7.0253 PRESSURE: 2490600 -218.91 -57.5315 -21.3975 -57.5313 -164.476 90.3512 -21.396 90.3517 -49.0444 GPRESSURE: 2490600 -130.258 6.18095 -27.8985 -26.1299 -157.707 45.5888 -22.9832 118.048 -43.5867 PRESSAVG: 2490600 -80.1841 -21.4351 -23.7031 -21.4351 59.1635 -32.5924 -23.7031 -32.5925 16.2333 GPRESSAVG: 2490600 -78.9139 -19.0129 -26.0224 -23.0847 58.7422 -31.3697 -25.164 -33.5934 15.7937 TIMING: 2490600 CPU: 7217.47, 0.00287946/step Wall: 7217.47, 0.00287946/step, 2.00714 hours remaining, 208.468750 MB of memory in use. ENERGY: 2490600 757.6458 2078.7127 1952.7266 116.3249 -206395.9047 17712.8622 0.0000 0.0000 34374.4335 -149403.1988 300.2005 -183777.6324 -149304.1141 299.4973 -144.1435 -110.5172 557221.1769 -1.5958 -1.4593 PRESSURE: 2490800 291.41 38.1874 -166.788 38.1874 -172.487 106.748 -166.788 106.746 -131.902 GPRESSURE: 2490800 309.165 253.293 -82.6262 -90.7551 -122.265 106 -120.6 161.635 -110.361 PRESSAVG: 2490800 -21.7754 39.9848 -56.6084 39.9847 -19.844 -13.0061 -56.6084 -13.0061 49.6275 GPRESSAVG: 2490800 -21.3644 39.6896 -52.9193 37.5306 -20.4009 -15.5883 -55.9609 -12.2767 49.216 TIMING: 2490800 CPU: 7218.05, 0.00289122/step Wall: 7218.05, 0.00289122/step, 2.01518 hours remaining, 208.468750 MB of memory in use. ENERGY: 2490800 742.2843 2101.9362 1947.7221 116.1158 -206506.9572 17915.0355 0.0000 0.0000 34160.1538 -149523.7096 298.3291 -183683.8634 -149431.1945 299.2203 -4.3264 25.5128 555717.6892 2.6694 2.4836 PRESSURE: 2491000 5.03287 41.2966 -32.6272 41.2966 11.7716 60.5782 -32.627 60.5777 105.881 GPRESSURE: 2491000 71.3756 80.5719 -30.973 22.5347 -7.05199 64.001 -44.9758 37.2286 164.147 PRESSAVG: 2491000 -9.24981 8.14893 -15.387 8.14905 26.5417 48.528 -15.387 48.528 11.5633 GPRESSAVG: 2491000 -10.2113 7.63725 -17.5248 10.6649 27.92 49.7562 -15.7109 47.0261 11.7132 TIMING: 2491000 CPU: 7218.63, 0.00290548/step Wall: 7218.63, 0.00290548/step, 2.02496 hours remaining, 208.468750 MB of memory in use. ENERGY: 2491000 778.1193 2088.7584 1931.7655 95.2024 -206353.5123 17822.6077 0.0000 0.0000 34061.7580 -149575.3009 297.4698 -183637.0590 -149482.1335 297.8296 40.8952 76.1567 557498.9545 9.6184 9.8073 PRESSURE: 2491200 343.075 165.383 85.0423 165.382 242.008 -133.187 85.0431 -133.187 138.287 GPRESSURE: 2491200 330.9 89.1719 34.0362 137.021 281.758 -100.261 143.59 -131.696 202.847 PRESSAVG: 2491200 -11.7298 -53.1814 19.8689 -53.1814 81.4799 31.946 19.8689 31.946 -44.2642 GPRESSAVG: 2491200 -12.3976 -53.6777 18.5155 -52.8069 81.2974 33.623 21.0314 31.7216 -44.3386 TIMING: 2491200 CPU: 7219.21, 0.0029147/step Wall: 7219.21, 0.0029147/step, 2.03122 hours remaining, 208.468750 MB of memory in use. ENERGY: 2491200 718.3738 2138.0211 1920.3853 122.8816 -206479.1942 18065.6213 0.0000 0.0000 33961.1351 -149552.7761 296.5910 -183513.9112 -149451.6222 298.3217 241.1233 271.8352 555923.4688 8.4953 8.1870 PRESSURE: 2491400 78.3182 72.9333 50.2841 72.933 -151.799 84.8727 50.2848 84.8716 -36.5396 GPRESSURE: 2491400 103.914 59.9485 32.4499 50.3789 -84.1911 102.153 50.6411 85.7909 -48.2642 PRESSAVG: 2491400 82.8093 -39.8537 33.7576 -39.8537 2.64628 12.153 33.7575 12.153 -54.5758 GPRESSAVG: 2491400 83.9785 -36.3973 35.3259 -42.6057 1.17148 11.0879 33.4325 13.6905 -54.6243 TIMING: 2491400 CPU: 7219.79, 0.00291598/step Wall: 7219.79, 0.00291598/step, 2.03195 hours remaining, 208.468750 MB of memory in use. ENERGY: 2491400 761.1327 2150.5165 1956.2324 114.1605 -206678.0163 17809.9255 0.0000 0.0000 34389.2884 -149496.7604 300.3302 -183886.0488 -149408.0720 298.2845 -36.6736 -9.5138 556921.7328 10.2932 10.1752 PRESSURE: 2491600 20.7395 -182.719 -55.6158 -182.719 -55.38 -44.8717 -55.6159 -44.872 -63.5577 GPRESSURE: 2491600 5.39706 -213.714 -66.5201 -136.131 8.69994 -107.809 23.1823 -34.003 -10.7378 PRESSAVG: 2491600 5.36755 -6.56808 9.00198 -6.56808 -6.19972 42.8805 9.00206 42.8805 11.1508 GPRESSAVG: 2491600 5.02831 -8.24431 9.15464 -4.37357 -5.35122 41.312 8.25768 41.6341 11.1422 TIMING: 2491600 CPU: 7220.38, 0.00292399/step Wall: 7220.38, 0.00292399/step, 2.03737 hours remaining, 208.468750 MB of memory in use. ENERGY: 2491600 766.2955 2160.0254 1934.7957 108.6806 -206548.7855 17844.8544 0.0000 0.0000 34247.4600 -149486.6739 299.0916 -183734.1339 -149392.5247 298.4109 -32.7327 1.1197 555760.4030 3.4395 3.6064 PRESSURE: 2491800 96.6983 -32.3226 76.5165 -32.3231 122.138 -91.747 76.5171 -91.7478 51.1239 GPRESSURE: 2491800 136.343 -110.125 95.8412 -63.2211 140.334 -44.2947 -2.99935 -68.866 90.2784 PRESSAVG: 2491800 -28.2614 2.41461 -8.5722 2.4146 47.5233 4.07822 -8.57221 4.07817 -10.2288 GPRESSAVG: 2491800 -28.6787 2.33301 -8.5091 1.4303 47.8489 4.12923 -7.77461 4.38194 -10.0301 TIMING: 2491800 CPU: 7220.97, 0.00294537/step Wall: 7220.97, 0.00294537/step, 2.0521 hours remaining, 208.468750 MB of memory in use. ENERGY: 2491800 744.8796 2174.7276 1943.4574 110.2714 -206323.1451 17848.9382 0.0000 0.0000 34197.1504 -149303.7206 298.6522 -183500.8710 -149210.2630 298.7428 89.9866 122.3183 556587.9138 3.0110 3.0467 PRESSURE: 2492000 -225.972 -81.2223 137.876 -81.2214 18.4911 -42.6011 137.877 -42.6009 -155.331 GPRESSURE: 2492000 -197.855 -114.37 87.8095 11.0171 24.3578 10.7304 188.898 -125.927 -91.9609 PRESSAVG: 2492000 -55.0125 16.0048 25.8783 16.0049 -27.4945 1.46316 25.8784 1.46315 21.8674 GPRESSAVG: 2492000 -54.5243 16.9226 26.6292 15.1846 -28.4873 2.3634 25.0822 0.643002 22.5058 TIMING: 2492000 CPU: 7221.55, 0.00290647/step Wall: 7221.55, 0.00290647/step, 2.02484 hours remaining, 208.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2492000 745.5353 2137.2708 1971.0580 114.3999 -205778.6199 17434.1635 0.0000 0.0000 34155.8283 -149220.3642 298.2913 -183376.1925 -149120.2879 299.8290 -120.9374 -88.4860 558294.9692 -20.2132 -20.1686 PRESSURE: 2492200 4.77161 -28.1622 -2.26178 -28.1635 -12.4878 -197.423 -2.262 -197.423 -132.498 GPRESSURE: 2492200 88.77 -38.0678 -114.933 -74.4907 -13.5257 -227.966 57.0242 -190.01 -109.392 PRESSAVG: 2492200 -31.0465 5.42282 -11.5599 5.42272 76.0642 -58.4053 -11.5599 -58.4053 -17.7902 GPRESSAVG: 2492200 -30.9514 4.60431 -13.2566 6.50833 76.5784 -60.8425 -9.41973 -55.9498 -18.5031 TIMING: 2492200 CPU: 7222.13, 0.00291638/step Wall: 7222.13, 0.00291638/step, 2.03158 hours remaining, 208.468750 MB of memory in use. ENERGY: 2492200 785.3883 2093.5663 1969.4495 111.6554 -206445.4587 17852.3928 0.0000 0.0000 34484.7555 -149148.2509 301.1639 -183633.0064 -149056.1966 299.3602 -46.7381 -11.3824 557595.7943 9.0759 9.0413 LDB: ============= START OF LOAD BALANCING ============== 7225.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7225.52 LDB: =============== DONE WITH MIGRATION ================ 7225.52 LDB: ============= START OF LOAD BALANCING ============== 7225.81 LDB: Largest compute 4800 load 0.025453 is 21.6% of average load 0.117848 LDB: Average compute 0.001748 is 1.5% of average load 0.117848 LDB: TIME 7225.81 LOAD: AVG 0.117848 MAX 0.178622 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 7225.81 LOAD: AVG 0.117848 MAX 0.178622 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: TIME 7225.81 LOAD: AVG 0.117848 MAX 0.178622 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: ============== END OF LOAD BALANCING =============== 7225.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7225.82 PRESSURE: 2492400 -314.791 -26.1693 -66.7046 -26.1694 -60.9836 -29.3752 -66.7044 -29.3754 -185.083 GPRESSURE: 2492400 -335.123 -40.0131 -49.1608 36.026 7.90166 13.3105 7.98004 27.2748 -137.376 PRESSAVG: 2492400 23.48 49.5478 38.4924 49.5477 -22.5825 38.6625 38.4924 38.6624 -18.9353 GPRESSAVG: 2492400 22.5055 49.3253 36.7509 49.5445 -22.115 40.5621 37.8169 37.4862 -19.0961 TIMING: 2492400 CPU: 7222.72, 0.00294915/step Wall: 7222.72, 0.00294915/step, 2.05425 hours remaining, 209.750000 MB of memory in use. ENERGY: 2492400 782.8293 2095.6568 1955.2037 113.8417 -205899.0496 17472.0717 0.0000 0.0000 34191.0352 -149288.4113 298.5988 -183479.4464 -149189.8857 299.5204 -186.9527 -154.8659 556963.5381 -6.0126 -6.2352 PRESSURE: 2492600 -19.0988 -52.9907 19.5087 -52.9891 45.394 68.199 19.5108 68.2 -75.7487 GPRESSURE: 2492600 24.7061 3.04039 28.1348 -71.0979 98.5784 72.9181 -88.279 -45.954 -55.0793 PRESSAVG: 2492600 -1.79158 4.30021 -11.6708 4.30026 -49.4487 22.1258 -11.6708 22.1259 -13.2827 GPRESSAVG: 2492600 -1.12332 5.14729 -8.07888 4.5763 -49.7947 21.9906 -12.7841 21.6393 -14.1117 TIMING: 2492600 CPU: 7223.3, 0.00287954/step Wall: 7223.3, 0.00287954/step, 2.0056 hours remaining, 209.820312 MB of memory in use. ENERGY: 2492600 729.9059 2023.9673 1967.7533 114.7452 -206029.7400 17489.7830 0.0000 0.0000 34372.6081 -149330.9772 300.1845 -183703.5853 -149233.5622 299.8255 -16.4845 22.7351 554531.4449 -21.5077 -21.6766 PRESSURE: 2492800 -54.7128 24.6166 87.3232 24.6156 -481.811 -47.2611 87.3228 -47.2611 -238.328 GPRESSURE: 2492800 -40.2853 0.637144 109.027 -15.1373 -375.493 58.6475 90.9979 -28.549 -269.448 PRESSAVG: 2492800 -9.60312 -23.1134 -21.0532 -23.1133 31.49 68.0917 -21.0532 68.0916 11.3548 GPRESSAVG: 2492800 -9.41539 -24.2948 -22.6932 -21.8907 32.0164 67.345 -19.4647 70.1933 11.0057 TIMING: 2492800 CPU: 7223.87, 0.00287584/step Wall: 7223.87, 0.00287584/step, 2.00286 hours remaining, 209.820312 MB of memory in use. ENERGY: 2492800 721.2493 2058.5209 1934.5807 107.7303 -206067.7452 17487.3130 0.0000 0.0000 34499.1552 -149259.1958 301.2897 -183758.3510 -149164.2905 299.4248 -258.2842 -228.4085 558327.4356 11.0806 11.2022 PRESSURE: 2493000 -112.154 -46.7993 36.9642 -46.7989 -17.801 -124.621 36.9639 -124.621 -51.5337 GPRESSURE: 2493000 -58.3331 -32.9082 113.107 -32.4525 6.15989 -102.574 -27.459 -42.797 -43.3386 PRESSAVG: 2493000 14.5806 -31.9091 23.7834 -31.9092 -20.8486 -32.7644 23.7834 -32.7645 43.2287 GPRESSAVG: 2493000 13.5723 -31.8744 24.5121 -31.8251 -20.5726 -30.2892 23.446 -35.3539 44.1986 TIMING: 2493000 CPU: 7224.45, 0.00289482/step Wall: 7224.45, 0.00289482/step, 2.01592 hours remaining, 209.820312 MB of memory in use. ENERGY: 2493000 719.4498 2125.5829 1938.1446 111.6635 -206073.6675 17631.1003 0.0000 0.0000 34178.8979 -149368.8284 298.4928 -183547.7263 -149271.6532 299.3739 -60.4964 -31.8373 557595.1300 12.3202 12.3995 PRESSURE: 2493200 -50.2545 -33.0755 -2.07821 -33.0742 -24.5675 143.094 -2.07765 143.095 85.4346 GPRESSURE: 2493200 -38.9703 43.1985 -35.9095 -42.5719 35.8365 149.546 -39.6284 91.4936 110.897 PRESSAVG: 2493200 31.7601 1.12448 53.8177 1.12456 -34.8111 59.7054 53.8178 59.7054 27.9678 GPRESSAVG: 2493200 33.2585 1.69744 54.4142 -0.523107 -35.4918 59.2697 52.1958 59.6893 27.5676 TIMING: 2493200 CPU: 7225.03, 0.00289948/step Wall: 7225.03, 0.00289948/step, 2.01901 hours remaining, 209.820312 MB of memory in use. ENERGY: 2493200 713.4544 2097.3036 1958.6855 131.6311 -206458.6833 17953.3129 0.0000 0.0000 34224.2241 -149380.0717 298.8887 -183604.2958 -149279.8016 298.9217 3.5376 35.9212 556780.6593 8.3056 8.4448 PRESSURE: 2493400 -224.062 -36.3467 99.5143 -36.3468 -290.219 -146.61 99.516 -146.61 -135.819 GPRESSURE: 2493400 -203.5 36.4763 105.416 -95.6196 -251.431 -71.6809 67.7649 -216.397 -99.2795 PRESSAVG: 2493400 -39.3849 -26.0454 -3.69122 -26.0454 8.14211 -22.2632 -3.69126 -22.2632 5.79391 GPRESSAVG: 2493400 -40.5669 -27.4985 -3.55596 -23.8055 8.67318 -21.5488 -3.28622 -22.4862 6.59984 TIMING: 2493400 CPU: 7225.61, 0.00290362/step Wall: 7225.61, 0.00290362/step, 2.02173 hours remaining, 209.820312 MB of memory in use. ENERGY: 2493400 715.7772 2060.4586 1964.3274 122.4338 -205661.6060 17415.0577 0.0000 0.0000 33968.0747 -149415.4767 296.6516 -183383.5514 -149320.2789 298.9796 -216.7002 -184.7368 557895.4675 -8.4830 -8.4313 PRESSURE: 2493600 -198.028 -10.0784 226.693 -10.0794 -187.014 310.797 226.693 310.798 -20.4168 GPRESSURE: 2493600 -157.298 -16.5709 254.772 139.409 -169.065 234.235 237.223 280.672 7.86207 PRESSAVG: 2493600 -48.172 -40.6828 10.7744 -40.6829 11.9914 85.6106 10.7745 85.6107 13.4148 GPRESSAVG: 2493600 -47.494 -39.0095 12.7823 -43.8662 11.4669 84.8685 10.5583 87.1142 13.5747 TIMING: 2493600 CPU: 7226.19, 0.00291051/step Wall: 7226.19, 0.00291051/step, 2.02636 hours remaining, 209.820312 MB of memory in use. ENERGY: 2493600 728.9550 2104.2523 1937.3963 108.1793 -206056.7594 17646.5542 0.0000 0.0000 34181.0589 -149350.3634 298.5117 -183531.4223 -149258.6329 298.7970 -135.1528 -106.1671 556124.1713 -7.5886 -7.4841 PRESSURE: 2493800 84.4848 97.9867 35.2246 97.9863 74.9335 13.2733 35.2241 13.273 86.0976 GPRESSURE: 2493800 131.981 165.582 74.5549 42.2901 96.3096 46.4715 14.1161 13.7357 108.905 PRESSAVG: 2493800 80.5344 43.8986 47.0388 43.8985 1.96308 68.0297 47.0388 68.0296 -47.3439 GPRESSAVG: 2493800 80.3574 43.8255 46.6104 46.5855 2.59857 66.7284 48.973 69.2888 -48.2501 TIMING: 2493800 CPU: 7226.77, 0.00289177/step Wall: 7226.77, 0.00289177/step, 2.01315 hours remaining, 209.875000 MB of memory in use. ENERGY: 2493800 746.9292 2120.9123 1945.8651 106.6528 -206111.9865 17772.2922 0.0000 0.0000 34221.1750 -149198.1599 298.8620 -183419.3349 -149104.8439 299.4660 81.8386 112.3986 555640.8254 11.7178 11.5686 PRESSURE: 2494000 -7.39659 -164.921 1.9699 -164.923 114.017 6.5038 1.97106 6.5045 190.835 GPRESSURE: 2494000 62.157 -269.081 -73.2004 -132.002 69.1635 38.9479 38.798 23.055 258.53 PRESSAVG: 2494000 17.3963 19.0874 39.3332 19.0874 -22.1686 68.5935 39.3333 68.5935 -2.58497 GPRESSAVG: 2494000 18.3074 17.3305 36.9628 20.174 -22.859 67.9408 40.3643 68.9882 -2.63439 TIMING: 2494000 CPU: 7227.36, 0.0029136/step Wall: 7227.36, 0.0029136/step, 2.02819 hours remaining, 209.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2494000 723.8032 2104.3061 1947.8821 116.8595 -206407.6461 17885.1863 0.0000 0.0000 34310.6393 -149318.9697 299.6433 -183629.6090 -149223.4768 299.5045 99.1518 129.9502 556552.5007 -2.4524 -2.3953 PRESSURE: 2494200 -80.8774 110.18 -39.8766 110.179 -50.7517 24.5324 -39.8772 24.5306 65.0093 GPRESSURE: 2494200 -10.8058 69.954 -131.352 119.964 -41.0949 84.4366 10.0492 42.0751 87.7091 PRESSAVG: 2494200 -59.6104 4.5011 49.7656 4.50121 4.81369 20.2901 49.7656 20.2901 -8.11529 GPRESSAVG: 2494200 -60.1948 5.45652 49.6698 3.34108 5.18646 22.7996 46.8824 17.8698 -7.39102 TIMING: 2494200 CPU: 7227.94, 0.00290974/step Wall: 7227.94, 0.00290974/step, 2.02534 hours remaining, 209.875000 MB of memory in use. ENERGY: 2494200 802.4536 2141.0562 1954.5647 121.1908 -206402.5105 17863.1160 0.0000 0.0000 34251.6473 -149268.4819 299.1282 -183520.1292 -149168.7680 299.7514 -22.2066 11.9361 556012.4877 -20.9707 -20.7998 PRESSURE: 2494400 -260.086 -199.572 -63.2793 -199.572 -270.72 54.8226 -63.2801 54.8234 -124.383 GPRESSURE: 2494400 -210.39 -179.756 -28.2787 -226.273 -259.878 106.766 -97.779 57.5651 -102.557 PRESSAVG: 2494400 34.3105 4.87022 -18.3823 4.8702 -12.6621 -7.38892 -18.3823 -7.38902 22.2927 GPRESSAVG: 2494400 35.0383 4.83306 -17.6165 5.14215 -13.3008 -9.27555 -17.1307 -7.11324 21.8349 TIMING: 2494400 CPU: 7228.52, 0.00289975/step Wall: 7228.52, 0.00289975/step, 2.01823 hours remaining, 209.875000 MB of memory in use. ENERGY: 2494400 778.2946 2162.4870 1957.1822 135.6828 -205960.0666 17591.7965 0.0000 0.0000 34108.2154 -149226.4082 297.8755 -183334.6235 -149124.6074 298.9430 -218.3960 -190.9414 557146.1849 14.6470 14.5241 PRESSURE: 2494600 -18.6444 54.6813 -47.348 54.6814 -243.778 -2.73295 -47.3465 -2.73194 -95.8038 GPRESSURE: 2494600 5.79524 14.7998 -62.5767 69.1355 -198.873 -50.356 19.5783 3.55398 -76.0362 PRESSAVG: 2494600 21.7712 85.4096 7.99618 85.4096 -29.3848 -31.2857 7.9962 -31.2857 19.9493 GPRESSAVG: 2494600 19.9495 84.5061 7.0883 85.2237 -28.4698 -30.871 8.18844 -30.7194 21.2055 TIMING: 2494600 CPU: 7229.1, 0.00290128/step Wall: 7229.1, 0.00290128/step, 2.01913 hours remaining, 209.875000 MB of memory in use. ENERGY: 2494600 771.9995 2138.3588 1979.8967 109.5055 -206635.6438 17796.0489 0.0000 0.0000 34624.3491 -149215.4853 302.3831 -183839.8344 -149108.8378 299.8453 -119.4087 -89.7048 557471.8290 4.1119 4.2284 PRESSURE: 2494800 108.343 -87.4221 -87.8298 -87.4222 36.6271 50.772 -87.8306 50.7729 10.5098 GPRESSURE: 2494800 155.042 -82.6999 -61.6041 -87.7393 62.7675 120.332 -68.0811 103.513 41.8762 PRESSAVG: 2494800 1.05091 18.175 -33.7518 18.1751 -12.2851 -41.5755 -33.7518 -41.5755 -26.9805 GPRESSAVG: 2494800 3.59566 20.2577 -32.7506 16.8659 -12.5314 -40.9847 -32.5227 -41.8412 -29.2405 TIMING: 2494800 CPU: 7229.67, 0.00288515/step Wall: 7229.67, 0.00288515/step, 2.00775 hours remaining, 209.875000 MB of memory in use. ENERGY: 2494800 752.3055 2128.4964 1957.6889 119.9407 -206465.9870 18014.6888 0.0000 0.0000 34396.6533 -149096.2134 300.3945 -183492.8667 -148997.6422 299.9614 51.8265 86.5620 559264.1017 -12.7382 -12.7254 PRESSURE: 2495000 234.608 -42.968 14.3187 -42.9677 16.9586 12.7413 14.3195 12.7425 -117.21 GPRESSURE: 2495000 328.75 21.2012 17.9071 -51.6438 -4.19077 -14.3426 -50.9549 -55.1429 -105.873 PRESSAVG: 2495000 -43.276 -41.9608 1.06922 -41.9609 7.36986 -31.5014 1.0693 -31.5015 26.7589 GPRESSAVG: 2495000 -45.8367 -43.2872 -0.296361 -41.0312 7.40761 -33.3659 0.69454 -29.0196 28.5614 TIMING: 2495000 CPU: 7230.25, 0.0028816/step Wall: 7230.25, 0.0028816/step, 2.00511 hours remaining, 209.875000 MB of memory in use. ENERGY: 2495000 756.1546 2135.7514 1984.0431 112.0516 -206259.6801 17983.8843 0.0000 0.0000 34077.5991 -149210.1961 297.6081 -183287.7952 -149111.0472 299.2323 44.7858 72.8954 558453.5854 -3.0491 -3.2892 PRESSURE: 2495200 -52.7356 140.079 13.2785 140.079 -146.26 -59.2037 13.2789 -59.2046 -155.954 GPRESSURE: 2495200 -26.4046 90.131 -63.7784 248.039 -96.6671 10.0633 23.3912 -141.619 -138.879 PRESSAVG: 2495200 29.9519 -33.3683 30.3766 -33.3682 18.3343 -26.1356 30.3767 -26.1356 -70.1983 GPRESSAVG: 2495200 31.4225 -32.5812 30.398 -33.9205 18.0039 -26.7772 31.3629 -26.7864 -71.3948 TIMING: 2495200 CPU: 7230.83, 0.00288293/step Wall: 7230.83, 0.00288293/step, 2.00588 hours remaining, 209.875000 MB of memory in use. ENERGY: 2495200 784.6382 2100.4076 1986.9449 120.0218 -206091.1452 17755.4074 0.0000 0.0000 34214.6154 -149129.1100 298.8047 -183343.7253 -149034.8795 299.4821 -118.3164 -87.3168 559333.9158 -7.3040 -7.3228 PRESSURE: 2495400 -317.593 32.3575 -88.4607 32.3568 -57.3503 -30.6778 -88.4615 -30.6782 -174.861 GPRESSURE: 2495400 -330.725 121.075 -6.26031 -23.8881 43.2643 -90.1874 -104.258 -40.207 -171.421 PRESSAVG: 2495400 64.8948 -5.80016 8.24757 -5.80026 2.10351 2.3623 8.24764 2.36242 -56.6498 GPRESSAVG: 2495400 63.6663 -6.93963 6.04833 -5.50593 1.96846 3.66579 8.88351 0.222354 -56.2089 TIMING: 2495400 CPU: 7231.41, 0.00289159/step Wall: 7231.41, 0.00289159/step, 2.01174 hours remaining, 209.875000 MB of memory in use. ENERGY: 2495400 796.4337 2084.0929 1975.9463 123.0955 -205928.0380 17497.2953 0.0000 0.0000 34328.5650 -149122.6092 299.7999 -183451.1741 -149030.5534 299.5573 -183.2682 -152.9606 557658.6777 3.4495 3.1419 PRESSURE: 2495600 -29.5738 43.6376 52.1225 43.6379 -207.534 -112.051 52.122 -112.051 -249.652 GPRESSURE: 2495600 -3.94741 38.8745 44.6008 4.42182 -180.52 35.6204 79.6308 -196.08 -196.493 PRESSAVG: 2495600 44.7596 -19.0703 32.2695 -19.0703 -79.3549 -9.97701 32.2696 -9.97703 -1.04309 GPRESSAVG: 2495600 44.7369 -17.9188 34.7862 -18.9365 -79.3072 -11.0826 30.1511 -8.16295 -1.31948 TIMING: 2495600 CPU: 7231.98, 0.0028892/step Wall: 7231.98, 0.0028892/step, 2.00992 hours remaining, 209.875000 MB of memory in use. ENERGY: 2495600 724.9042 2121.4746 1940.6328 102.9329 -205586.3028 17321.1221 0.0000 0.0000 34408.6185 -148966.6176 300.4990 -183375.2361 -148873.3894 300.1352 -162.2534 -126.9870 557151.4102 -11.8795 -11.9633 PRESSURE: 2495800 -52.5054 -82.908 -239.835 -82.9084 -26.7928 -74.558 -239.835 -74.5572 -165.334 GPRESSURE: 2495800 -1.06304 -70.3937 -222.466 40.0215 -14.3519 -140.44 -206.181 45.1049 -122.978 PRESSAVG: 2495800 64.2022 -4.67364 33.7075 -4.67377 11.9011 -53.0895 33.7075 -53.0894 -63.6811 GPRESSAVG: 2495800 65.1879 -6.21056 32.0362 -2.13591 11.1435 -53.3456 33.3681 -52.1882 -63.4407 TIMING: 2495800 CPU: 7232.57, 0.00291586/step Wall: 7232.57, 0.00291586/step, 2.02831 hours remaining, 209.875000 MB of memory in use. ENERGY: 2495800 726.7009 2170.3176 1920.9432 109.3311 -205736.3147 17339.0559 0.0000 0.0000 34573.2925 -148896.6735 301.9372 -183469.9659 -148797.5086 300.9450 -81.5442 -46.1308 557006.4089 4.1408 4.2969 PRESSURE: 2496000 -18.2483 -56.4096 140.745 -56.409 -88.3905 -18.2601 140.745 -18.2612 78.5828 GPRESSURE: 2496000 49.9369 11.3475 122.662 -43.6394 -99.1756 16.6401 84.195 -30.5475 106.835 PRESSAVG: 2496000 -15.7328 6.774 4.10052 6.77409 -15.7231 -46.6467 4.10042 -46.6466 63.8514 GPRESSAVG: 2496000 -16.0056 8.96635 4.31935 4.60847 -16.7827 -44.4837 3.5021 -49.1228 64.7125 TIMING: 2496000 CPU: 7233.15, 0.0029052/step Wall: 7233.15, 0.0029052/step, 2.02073 hours remaining, 209.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2496000 764.5070 2132.1027 1963.0677 109.1795 -205508.5528 17580.0131 0.0000 0.0000 34257.9629 -148701.7199 299.1833 -182959.6828 -148604.1473 300.8652 -9.3520 19.1987 557135.8736 10.7985 10.6414 PRESSURE: 2496200 -240.827 48.5567 -119.102 48.5558 -191.459 -9.4271 -119.101 -9.42754 -188.147 GPRESSURE: 2496200 -187.088 46.1004 -75.1493 -1.26096 -173.794 25.7417 -114.632 59.4364 -166.082 PRESSAVG: 2496200 -36.5783 -29.1668 5.00495 -29.1668 -0.585025 -56.754 5.00492 -56.754 39.6804 GPRESSAVG: 2496200 -37.4179 -30.7124 7.16569 -29.9329 1.05812 -56.8838 4.74365 -55.6656 38.9965 TIMING: 2496200 CPU: 7233.73, 0.00291088/step Wall: 7233.73, 0.00291088/step, 2.02451 hours remaining, 209.875000 MB of memory in use. ENERGY: 2496200 739.7334 2101.1562 1967.7462 121.6835 -205455.6508 17421.4803 0.0000 0.0000 34377.6053 -148726.2459 300.2282 -183103.8512 -148629.0654 300.5343 -206.8107 -175.6546 559302.1199 0.8390 0.8789 LDB: ============= START OF LOAD BALANCING ============== 7237.12 LDB: ============== END OF LOAD BALANCING =============== 7237.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7237.12 LDB: ============= START OF LOAD BALANCING ============== 7237.41 LDB: Largest compute 4800 load 0.024288 is 20.6% of average load 0.117890 LDB: Average compute 0.001748 is 1.5% of average load 0.117890 LDB: TIME 7237.42 LOAD: AVG 0.11789 MAX 0.180718 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 7237.42 LOAD: AVG 0.11789 MAX 0.180718 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: TIME 7237.42 LOAD: AVG 0.11789 MAX 0.180718 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 7237.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7237.42 PRESSURE: 2496400 130.49 -34.5933 61.3388 -34.5933 -289.875 -24.7298 61.3388 -24.7298 -66.5 GPRESSURE: 2496400 148.614 -133.539 128.907 23.4631 -235.775 -83.092 137.363 57.2569 -41.1718 PRESSAVG: 2496400 1.50298 31.3517 22.1804 31.3517 45.0065 -49.3226 22.1804 -49.3226 -51.0677 GPRESSAVG: 2496400 2.32282 30.899 22.3508 33.3491 44.0526 -49.9873 23.6888 -48.9043 -51.1636 TIMING: 2496400 CPU: 7234.33, 0.00298403/step Wall: 7234.33, 0.00298403/step, 2.07523 hours remaining, 208.292969 MB of memory in use. ENERGY: 2496400 775.3550 2069.5694 1952.9984 123.2561 -205941.2078 17714.7825 0.0000 0.0000 34472.1507 -148833.0957 301.0539 -183305.2464 -148731.1964 300.4697 -75.2948 -42.7776 557510.8765 -1.5194 -1.5961 PRESSURE: 2496600 157.938 102.762 20.4822 102.762 147.255 -72.7467 20.481 -72.7466 221.606 GPRESSURE: 2496600 209.585 114.083 14.9357 95.1149 163.109 -28.4534 49.7948 -37.3047 251.995 PRESSAVG: 2496600 4.8412 32.0133 -0.228838 32.0133 -33.1135 -13.5093 -0.228838 -13.5094 -5.28648 GPRESSAVG: 2496600 4.75083 32.1023 -3.7042 29.1936 -32.9801 -14.2855 0.435807 -12.9612 -5.44401 TIMING: 2496600 CPU: 7234.91, 0.00292184/step Wall: 7234.91, 0.00292184/step, 2.03182 hours remaining, 208.496094 MB of memory in use. ENERGY: 2496600 750.7683 2077.7368 1960.8463 125.3335 -206437.5606 18224.9774 0.0000 0.0000 34200.9552 -149096.9432 298.6854 -183297.8984 -149003.1062 300.1500 175.5998 208.2297 558209.0792 -11.1862 -11.2244 PRESSURE: 2496800 30.0241 47.9259 87.8373 47.9266 156.337 -33.9584 87.8368 -33.9606 64.9961 GPRESSURE: 2496800 109.34 63.09 26.5123 59.6533 164.527 -17.2594 124.712 -50.6207 76.6557 PRESSAVG: 2496800 -29.5008 52.6347 5.02459 52.6347 -11.8371 -14.8277 5.02467 -14.8277 25.7982 GPRESSAVG: 2496800 -28.3603 54.4516 7.83914 53.4029 -12.4326 -12.8075 4.67818 -14.4833 25.8366 TIMING: 2496800 CPU: 7235.5, 0.00292059/step Wall: 7235.5, 0.00292059/step, 2.03078 hours remaining, 208.496094 MB of memory in use. ENERGY: 2496800 767.3415 2111.9394 1958.5996 121.2948 -206225.4290 18035.5660 0.0000 0.0000 34132.9985 -149097.6892 298.0920 -183230.6877 -149004.8695 299.0984 83.7856 116.8409 558020.8209 -5.1799 -4.9854 PRESSURE: 2497000 -127.84 236.115 -7.75421 236.115 -101.719 -48.4477 -7.75479 -48.4488 -16.8312 GPRESSURE: 2497000 -104.057 238.769 18.3103 237.522 -52.6773 -60.8764 -53.6123 36.7392 11.1462 PRESSAVG: 2497000 -30.3406 61.2033 55.7569 61.2033 4.31885 3.77419 55.7569 3.77422 10.8004 GPRESSAVG: 2497000 -30.7765 60.187 56.464 61.0386 5.39622 3.88476 54.6769 1.09757 10.5324 TIMING: 2497000 CPU: 7236.08, 0.0029091/step Wall: 7236.08, 0.0029091/step, 2.02264 hours remaining, 208.496094 MB of memory in use. ENERGY: 2497000 771.2385 2142.1724 1946.2337 104.9884 -205914.7186 17715.1212 0.0000 0.0000 34076.5982 -149158.3662 297.5994 -183234.9644 -149063.1398 299.8750 -82.1301 -48.5295 557732.7192 -5.0738 -4.9493 PRESSURE: 2497200 187.332 -99.967 6.61152 -99.9657 180.228 -42.7533 6.61164 -42.7553 139.422 GPRESSURE: 2497200 214.763 -66.0977 36.0743 -157.878 168.901 -90.5088 -53.433 -7.38522 213.742 PRESSAVG: 2497200 14.6971 -12.6191 6.99151 -12.6191 14.3836 11.2164 6.99157 11.2164 14.7648 GPRESSAVG: 2497200 14.8613 -12.4355 4.63044 -10.4521 13.6228 12.6276 7.00408 10.7398 15.3284 TIMING: 2497200 CPU: 7236.66, 0.00289541/step Wall: 7236.66, 0.00289541/step, 2.01295 hours remaining, 208.496094 MB of memory in use. ENERGY: 2497200 730.8201 2139.0319 1955.5152 108.3957 -206586.5230 17999.4827 0.0000 0.0000 34411.0218 -149242.2556 300.5200 -183653.2774 -149150.8935 299.2431 168.9940 199.1354 555784.0196 14.6151 14.6042 PRESSURE: 2497400 -76.5898 102.393 -15.0932 102.392 -67.8712 6.46217 -15.093 6.462 -181.606 GPRESSURE: 2497400 -51.6307 81.4853 -53.9834 68.0534 -15.0525 118.802 -75.9154 -145.378 -174.493 PRESSAVG: 2497400 -45.1935 -5.01226 -14.2748 -5.01223 53.997 -55.4703 -14.2749 -55.4704 14.2468 GPRESSAVG: 2497400 -45.5798 -4.19121 -13.4775 -6.48539 54.498 -57.421 -12.6795 -53.2709 13.9133 TIMING: 2497400 CPU: 7237.24, 0.00292014/step Wall: 7237.24, 0.00292013/step, 2.02998 hours remaining, 208.496094 MB of memory in use. ENERGY: 2497400 736.4645 2140.8261 1945.0495 109.9830 -206104.6857 17519.4941 0.0000 0.0000 34478.3409 -149174.5276 301.1079 -183652.8685 -149082.2281 299.9282 -108.6889 -80.3921 556496.8654 7.6835 7.6105 PRESSURE: 2497600 119.509 5.39012 -128.047 5.39032 255.126 -6.17823 -128.047 -6.1775 246.973 GPRESSURE: 2497600 189.513 -51.6388 -130.487 20.4418 309.37 29.3139 -177.403 -95.7264 223.421 PRESSAVG: 2497600 27.9481 11.1709 -28.7566 11.171 6.51503 -22.3878 -28.7565 -22.3877 -13.2155 GPRESSAVG: 2497600 28.0821 10.1317 -29.145 9.75467 6.81898 -22.1364 -28.2346 -25.5021 -13.4272 TIMING: 2497600 CPU: 7237.82, 0.00288942/step Wall: 7237.82, 0.00288942/step, 2.00847 hours remaining, 208.496094 MB of memory in use. ENERGY: 2497600 764.1402 2118.8020 1933.5089 109.2498 -206711.1258 18158.7390 0.0000 0.0000 34310.4298 -149316.2562 299.6415 -183626.6860 -149222.4090 299.1385 207.2028 240.7681 556440.2635 7.0825 7.1579 PRESSURE: 2497800 -147.1 -189.959 55.9334 -189.958 -32.2079 16.0829 55.9323 16.0827 148.266 GPRESSURE: 2497800 -209.236 -219.1 12.2792 -217.609 15.5589 -82.5887 41.9087 55.8653 243.101 PRESSAVG: 2497800 14.7957 -52.285 -31.4086 -52.2851 8.40012 8.2777 -31.4086 8.27771 -37.8896 GPRESSAVG: 2497800 13.5351 -51.4141 -31.7123 -50.5456 7.492 8.97991 -32.7031 10.9896 -35.8174 TIMING: 2497800 CPU: 7238.39, 0.00288068/step Wall: 7238.39, 0.00288068/step, 2.00223 hours remaining, 208.496094 MB of memory in use. ENERGY: 2497800 733.2671 2090.2665 1961.6630 124.0641 -206006.9517 17753.2826 0.0000 0.0000 34006.3652 -149338.0432 296.9860 -183344.4084 -149236.9937 298.8136 -10.3473 16.4746 558203.4726 -4.8979 -4.9301 PRESSURE: 2498000 9.38967 -106.726 -116.984 -106.726 81.9203 114.275 -116.985 114.274 138.487 GPRESSURE: 2498000 48.096 -55.3592 -89.0289 -123.695 89.156 81.2705 -180.407 168.322 178.803 PRESSAVG: 2498000 -116.246 -50.3746 -24.6497 -50.3745 45.55 -5.91488 -24.6496 -5.91485 84.6838 GPRESSAVG: 2498000 -114.807 -51.1796 -25.3611 -50.4749 46.0899 -9.44083 -24.1875 -5.65418 82.9842 TIMING: 2498000 CPU: 7238.97, 0.00288665/step Wall: 7238.97, 0.00288665/step, 2.00622 hours remaining, 208.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2498000 802.5691 2071.3943 1956.6486 117.0633 -206774.1013 18203.3666 0.0000 0.0000 34332.9061 -149290.1533 299.8378 -183623.0594 -149198.4436 298.6424 76.5989 105.3516 557123.1480 4.6626 4.7558 PRESSURE: 2498200 -210.683 129.989 -67.8883 129.99 -94.6627 66.9538 -67.8887 66.9551 -361.45 GPRESSURE: 2498200 -146.747 58.7678 -21.0869 155.712 -133.861 103.272 -157.615 88.8661 -291.028 PRESSAVG: 2498200 23.0153 -61.906 -46.2198 -61.9059 8.861 61.8444 -46.2198 61.8446 -33.1438 GPRESSAVG: 2498200 22.5488 -61.1166 -43.133 -62.9638 9.20388 63.3611 -48.2799 59.949 -32.5294 TIMING: 2498200 CPU: 7239.55, 0.00290544/step Wall: 7239.55, 0.00290544/step, 2.01912 hours remaining, 208.496094 MB of memory in use. ENERGY: 2498200 768.0267 2153.4067 1965.4552 115.9039 -205858.5871 17662.6667 0.0000 0.0000 33961.8923 -149231.2356 296.5977 -183193.1279 -149138.3420 298.8949 -222.2653 -190.5454 559626.9128 -0.4225 -0.2589 PRESSURE: 2498400 2.97531 57.5279 60.0654 57.5279 -92.8131 147.448 60.0652 147.449 -298.091 GPRESSURE: 2498400 9.36045 99.5826 -38.258 21.5682 8.71375 141.337 52.6947 91.5894 -315.159 PRESSAVG: 2498400 -24.8362 10.5522 -55.6921 10.5522 4.50228 32.3843 -55.6921 32.3842 -0.350361 GPRESSAVG: 2498400 -25.0193 9.32644 -58.1671 11.1014 3.65759 32.8619 -53.8486 34.2804 0.51529 TIMING: 2498400 CPU: 7240.14, 0.0029263/step Wall: 7240.14, 0.0029263/step, 2.03346 hours remaining, 208.496094 MB of memory in use. ENERGY: 2498400 806.0095 2140.8104 1967.8250 116.8196 -206422.1660 17988.5454 0.0000 0.0000 34115.9208 -149286.2353 297.9428 -183402.1561 -149196.1695 298.9227 -129.3097 -99.0283 559078.0381 -6.8948 -6.9488 PRESSURE: 2498600 74.099 -64.1989 59.5048 -64.1994 -77.8792 -40.1668 59.5041 -40.1685 -32.8474 GPRESSURE: 2498600 72.1472 -53.2075 62.8193 -83.3706 -29.6077 -52.7155 87.6215 -75.6548 17.4976 PRESSAVG: 2498600 45.5621 54.0041 29.3934 54.004 -21.4955 51.3165 29.3934 51.3166 -3.08353 GPRESSAVG: 2498600 47.9888 54.5853 31.259 53.9333 -21.6762 51.8674 28.6911 50.3259 -4.90374 TIMING: 2498600 CPU: 7240.72, 0.00290436/step Wall: 7240.72, 0.00290436/step, 2.01805 hours remaining, 208.496094 MB of memory in use. ENERGY: 2498600 733.6688 2031.5207 1985.7648 121.3013 -206122.0254 17746.3165 0.0000 0.0000 34285.0596 -149218.3937 299.4200 -183503.4533 -149120.9325 299.3915 -12.2092 20.0124 557317.0817 6.9944 7.1363 PRESSURE: 2498800 -147.163 -106.542 22.6097 -106.544 -253.229 -2.28196 22.6089 -2.28209 -84.9995 GPRESSURE: 2498800 -133.162 -75.4361 49.1941 -147.476 -230.115 -50.0541 -127.89 33.3726 -20.1309 PRESSAVG: 2498800 11.4208 6.79515 1.83734 6.79523 -12.0587 -9.845 1.83736 -9.84506 15.8195 GPRESSAVG: 2498800 10.1777 5.03213 1.1063 6.82447 -11.0571 -10.6472 0.27802 -8.98649 16.4576 TIMING: 2498800 CPU: 7241.29, 0.00287753/step Wall: 7241.29, 0.00287753/step, 1.99925 hours remaining, 208.496094 MB of memory in use. ENERGY: 2498800 730.7110 2082.5857 1954.8587 123.8181 -205972.9323 17597.3176 0.0000 0.0000 34270.5058 -149213.1354 299.2929 -183483.6412 -149122.7442 299.1006 -161.7974 -127.8027 559540.9551 5.0606 5.1927 PRESSURE: 2499000 83.8664 54.8826 36.9573 54.8809 -333.073 -0.656848 36.9568 -0.657082 -145.525 GPRESSURE: 2499000 105.264 116.292 61.7643 67.2269 -297.409 14.9317 26.4189 58.2878 -103.79 PRESSAVG: 2499000 0.992991 -48.6281 21.2522 -48.6282 -22.8492 10.4972 21.2523 10.4972 31.8556 GPRESSAVG: 2499000 0.119497 -48.7905 20.4331 -49.1103 -22.3992 8.75484 22.9899 12.4249 32.6027 TIMING: 2499000 CPU: 7241.87, 0.00287859/step Wall: 7241.87, 0.00287859/step, 1.99982 hours remaining, 208.496094 MB of memory in use. ENERGY: 2499000 728.1857 2141.6555 1964.1634 113.7547 -206288.1824 17743.3072 0.0000 0.0000 34299.3302 -149297.7857 299.5446 -183597.1159 -149209.5010 299.1997 -131.5770 -98.6452 557947.6622 3.3331 3.4410 PRESSURE: 2499200 44.1785 111.094 -108.701 111.092 282.749 -88.591 -108.701 -88.5926 68.8754 GPRESSURE: 2499200 99.5162 119.718 -175.805 2.82929 301.685 -123.041 -62.6962 -24.5406 75.9859 PRESSAVG: 2499200 -9.88422 45.1006 22.952 45.1005 -8.7071 -47.9037 22.952 -47.9039 51.9854 GPRESSAVG: 2499200 -10.55 47.0841 24.6457 44.1795 -8.61468 -48.1209 22.4476 -49.9903 51.8384 TIMING: 2499200 CPU: 7242.45, 0.00289752/step Wall: 7242.45, 0.00289752/step, 2.01281 hours remaining, 208.496094 MB of memory in use. ENERGY: 2499200 738.3031 2109.7756 1941.3738 107.5704 -206781.6877 18200.7305 0.0000 0.0000 34310.6486 -149373.2857 299.6434 -183683.9343 -149274.9170 299.3192 131.9345 159.0624 558338.0002 11.1314 10.8912 PRESSURE: 2499400 -87.5633 172.908 -95.1035 172.908 -205.1 7.19006 -95.1039 7.19023 -25.8817 GPRESSURE: 2499400 -31.2507 169.636 -9.19159 135.874 -256.586 -9.26119 -67.721 2.54137 70.0905 PRESSAVG: 2499400 51.0686 17.6633 40.5727 17.6633 16.9466 -22.3204 40.5726 -22.3205 -47.0802 GPRESSAVG: 2499400 52.5854 18.9932 36.8898 18.9462 15.6664 -20.5233 41.7029 -21.0639 -46.9662 TIMING: 2499400 CPU: 7243.03, 0.00290421/step Wall: 7243.03, 0.00290421/step, 2.0173 hours remaining, 208.496094 MB of memory in use. ENERGY: 2499400 747.2982 2156.9637 1962.5013 105.1823 -206449.9513 17750.2803 0.0000 0.0000 34288.7842 -149438.9414 299.4525 -183727.7256 -149340.7560 298.8881 -106.1816 -72.5820 557819.9458 6.9783 7.0952 PRESSURE: 2499600 -90.1713 107.544 -56.7075 107.544 -305.846 147.248 -56.7072 147.247 -45.443 GPRESSURE: 2499600 -22.7306 55.6061 -13.0349 109.187 -270.084 128.884 -76.5104 137.513 -45.8419 PRESSAVG: 2499600 -44.3154 36.4262 29.2402 36.4262 6.34126 -48.9933 29.2401 -48.9933 -7.80847 GPRESSAVG: 2499600 -44.3003 35.2861 31.7481 37.7921 6.44475 -47.1378 28.1166 -51.3727 -7.51646 TIMING: 2499600 CPU: 7243.61, 0.0029044/step Wall: 7243.61, 0.0029044/step, 2.01727 hours remaining, 208.496094 MB of memory in use. ENERGY: 2499600 747.9006 2124.1603 1950.0213 131.4972 -206301.2505 17619.5901 0.0000 0.0000 34270.5042 -149457.5768 299.2928 -183728.0810 -149365.0102 298.3080 -147.1535 -112.8854 558623.8116 -15.2609 -15.1240 PRESSURE: 2499800 -282.327 -43.467 -239.149 -43.4659 -111.398 -133.284 -239.149 -133.284 -111.143 GPRESSURE: 2499800 -236.407 -15.989 -220.306 72.0906 -140.757 -131.201 -165.535 -123.194 -35.1298 PRESSAVG: 2499800 7.34352 -40.2725 24.4009 -40.2724 31.181 2.13446 24.4009 2.13439 -42.2282 GPRESSAVG: 2499800 6.90659 -40.973 22.8765 -41.6892 32.0019 0.982172 24.2747 3.50067 -42.8925 TIMING: 2499800 CPU: 7244.19, 0.00291399/step Wall: 7244.19, 0.00291399/step, 2.02377 hours remaining, 208.496094 MB of memory in use. ENERGY: 2499800 736.6616 2133.1627 1954.2306 120.9992 -206045.0921 17565.6063 0.0000 0.0000 34274.7365 -149259.6951 299.3298 -183534.4316 -149164.8656 299.0213 -168.2893 -137.4313 557910.1686 -1.2345 -1.3280 PRESSURE: 2500000 1.79335 -40.2371 266.458 -40.2373 78.4939 120.156 266.457 120.156 -135.393 GPRESSURE: 2500000 -12.4743 -78.0784 207.528 -13.1983 83.7202 133.327 250.137 71.8036 -31.8444 PRESSAVG: 2500000 0.34721 -26.1405 62.324 -26.1405 52.7431 -17.2943 62.3241 -17.2941 -13.8343 GPRESSAVG: 2500000 0.358008 -26.67 60.9891 -26.2826 52.0606 -17.218 62.8023 -18.2731 -13.6188 TIMING: 2500000 CPU: 7244.78, 0.00292012/step Wall: 7244.78, 0.00292012/step, 2.02786 hours remaining, 208.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2500000 757.7302 2144.7905 1951.3001 101.1088 -206375.1055 17816.4784 0.0000 0.0000 34278.4904 -149325.2072 299.3626 -183603.6976 -149220.7514 299.9216 -18.3687 13.1338 557482.2696 13.0853 12.9332 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2500200 64.4553 34.0454 -68.0063 34.0446 -72.7775 -84.3386 -68.0066 -84.3379 -142.889 GPRESSURE: 2500200 120.072 65.4053 -125.034 -65.7008 -40.1734 -75.8156 -22.6544 -37.4362 -136.874 PRESSAVG: 2500200 -39.0749 -6.25634 41.2104 -6.2565 11.1826 20.2805 41.2103 20.2806 -23.6054 GPRESSAVG: 2500200 -39.8691 -5.14928 43.395 -6.82156 11.8669 19.8863 39.6628 21.1495 -23.5136 TIMING: 2500200 CPU: 7245.42, 0.00323003/step Wall: 7245.42, 0.00323003/step, 2.2429 hours remaining, 208.621094 MB of memory in use. ENERGY: 2500200 775.3690 2079.6429 1947.5671 113.5639 -206284.9963 17720.5877 0.0000 0.0000 34354.3772 -149293.8885 300.0253 -183648.2656 -149182.7033 298.9088 -50.4038 -18.9918 556809.2075 -17.1659 -17.1719 LDB: ============= START OF LOAD BALANCING ============== 7248.81 LDB: ============== END OF LOAD BALANCING =============== 7248.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7248.81 LDB: ============= START OF LOAD BALANCING ============== 7249.1 LDB: Largest compute 4800 load 0.024479 is 20.8% of average load 0.117860 LDB: Average compute 0.001737 is 1.5% of average load 0.117860 LDB: TIME 7249.1 LOAD: AVG 0.11786 MAX 0.179227 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 7249.1 LOAD: AVG 0.11786 MAX 0.179227 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.559 MB LDB: TIME 7249.1 LOAD: AVG 0.11786 MAX 0.179227 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.559 MB LDB: ============== END OF LOAD BALANCING =============== 7249.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7249.11 PRESSURE: 2500400 57.7535 64.1019 129.35 64.1004 44.5014 120.975 129.351 120.976 -161.633 GPRESSURE: 2500400 28.2918 73.1513 90.7766 21.6778 106.537 89.1689 139.862 93.2515 -93.6217 PRESSAVG: 2500400 -77.1762 13.3989 34.128 13.3989 68.2672 27.852 34.128 27.8519 30.6004 GPRESSAVG: 2500400 -77.3437 11.483 33.8808 14.9882 68.4498 26.9452 36.0143 31.076 30.9363 TIMING: 2500400 CPU: 7246.02, 0.00295481/step Wall: 7246.02, 0.00295481/step, 2.05162 hours remaining, 211.035156 MB of memory in use. ENERGY: 2500400 774.6837 2076.5634 1951.2291 127.0430 -206331.4015 17767.6472 0.0000 0.0000 34291.9983 -149342.2369 299.4805 -183634.2352 -149245.1205 299.3224 -19.7928 13.7355 555782.5226 7.2305 7.3474 PRESSURE: 2500600 -32.627 209.087 146.528 209.088 -414.259 113.895 146.527 113.896 -23.1326 GPRESSURE: 2500600 -49.6623 224.994 124.405 141.835 -297.412 113.447 111.169 30.0996 -27.9301 PRESSAVG: 2500600 -19.0456 6.28475 12.4276 6.28481 -0.154128 27.6773 12.4276 27.6772 28.2088 GPRESSAVG: 2500600 -17.7174 8.64654 11.5807 6.87997 -1.23524 29.4304 11.1781 24.7568 28.4151 TIMING: 2500600 CPU: 7246.6, 0.00290671/step Wall: 7246.6, 0.00290671/step, 2.01807 hours remaining, 211.535156 MB of memory in use. ENERGY: 2500600 748.3346 2132.4410 1931.4751 102.3410 -205865.4006 17493.7426 0.0000 0.0000 34245.7729 -149211.2934 299.0769 -183457.0663 -149108.2850 299.3808 -156.6729 -125.0014 555874.6331 3.0030 3.1542 PRESSURE: 2500800 237.715 10.046 40.5043 10.0463 378.032 22.8177 40.5041 22.8146 97.2009 GPRESSURE: 2500800 268.346 78.2092 96.6404 -45.2044 427.731 1.90213 146.19 34.7307 123.779 PRESSAVG: 2500800 -4.00001 27.4981 14.9945 27.4981 50.8446 -4.56827 14.9945 -4.56818 -22.3999 GPRESSAVG: 2500800 -4.43868 27.864 15.8936 25.5564 51.7678 -6.42738 14.2292 -4.78361 -23.0761 TIMING: 2500800 CPU: 7247.18, 0.00289483/step Wall: 7247.18, 0.00289483/step, 2.00966 hours remaining, 211.535156 MB of memory in use. ENERGY: 2500800 719.7515 2083.1950 1968.1583 120.7732 -206513.0118 18085.4258 0.0000 0.0000 34343.1490 -149192.5590 299.9273 -183535.7080 -149099.8878 299.5980 237.6495 273.2853 555682.5321 8.1482 8.0843 PRESSURE: 2501000 -157.179 45.1659 -26.304 45.1651 -25.8546 -85.7607 -26.3047 -85.7618 15.2912 GPRESSURE: 2501000 -113.559 54.6846 -15.0026 48.6049 45.9619 -40.4073 -92.1415 -102.332 -11.6387 PRESSAVG: 2501000 39.0583 49.5464 42.0491 49.5464 2.49304 -57.0428 42.0491 -57.0428 -9.21565 GPRESSAVG: 2501000 38.3386 49.4708 42.6995 50.4451 3.74001 -54.3415 42.2876 -58.1443 -9.51731 TIMING: 2501000 CPU: 7247.75, 0.00289277/step Wall: 7247.75, 0.00289277/step, 2.00806 hours remaining, 211.535156 MB of memory in use. ENERGY: 2501000 731.1527 2093.0388 1939.8441 110.3093 -206172.3758 17755.1717 0.0000 0.0000 34325.2745 -149217.5846 299.7712 -183542.8590 -149127.7530 298.6230 -55.9141 -26.4120 557533.8045 10.7786 10.8538 PRESSURE: 2501200 31.7406 -251.057 69.7456 -251.055 348.678 15.6398 69.7463 15.6398 -161.436 GPRESSURE: 2501200 99.2546 -122.206 3.26996 -275.141 308.866 -67.2142 120.716 29.6347 -98.4272 PRESSAVG: 2501200 -42.8577 -6.26874 49.366 -6.26867 7.79141 -84.0691 49.366 -84.069 40.1051 GPRESSAVG: 2501200 -40.8313 -6.33357 47.0395 -6.1591 6.13841 -85.7208 51.1045 -83.4143 39.8713 TIMING: 2501200 CPU: 7248.34, 0.00293458/step Wall: 7248.34, 0.00293458/step, 2.03693 hours remaining, 211.535156 MB of memory in use. ENERGY: 2501200 729.3168 2087.2660 1994.4231 112.9507 -205994.2126 17798.7181 0.0000 0.0000 34343.7176 -148927.8204 299.9322 -183271.5380 -148834.3279 299.6894 72.9942 103.2313 557042.9489 1.6796 1.7261 PRESSURE: 2501400 144.495 126.195 -22.2989 126.193 -14.5536 161.681 -22.2997 161.681 91.1226 GPRESSURE: 2501400 206.901 66.9008 -39.6095 141.928 19.139 177.134 -39.5822 90.6356 88.1867 PRESSAVG: 2501400 -26.0553 4.78103 7.3652 4.78099 -3.55359 -20.9921 7.36503 -20.992 22.3322 GPRESSAVG: 2501400 -25.7091 2.73928 8.38414 5.34657 -4.38162 -21.2838 7.71951 -22.33 22.2324 TIMING: 2501400 CPU: 7248.92, 0.00291305/step Wall: 7248.92, 0.00291305/step, 2.02182 hours remaining, 211.535156 MB of memory in use. ENERGY: 2501400 773.5429 2053.1306 1943.4552 101.3718 -206104.9670 17948.2534 0.0000 0.0000 34410.2465 -148874.9667 300.5132 -183285.2131 -148782.4274 300.5807 73.6881 104.7424 558038.8337 -2.4256 -2.6194 PRESSURE: 2501600 146.458 186.75 -7.10665 186.749 -70.064 12.4977 -7.10678 12.4956 -179.844 GPRESSURE: 2501600 122.318 219.806 -34.2326 71.7573 24.3634 45.6011 -6.62565 -83.6667 -160.078 PRESSAVG: 2501600 -4.31872 22.2031 19.684 22.203 15.5014 26.8248 19.684 26.8247 -39.8642 GPRESSAVG: 2501600 -5.68188 21.8353 19.8175 23.1856 15.5219 27.7303 19.8229 27.9929 -38.6875 TIMING: 2501600 CPU: 7249.5, 0.00289205/step Wall: 7249.5, 0.00289205/step, 2.00708 hours remaining, 211.535156 MB of memory in use. ENERGY: 2501600 749.1430 2051.7878 1957.0407 118.3665 -206310.0790 17876.2780 0.0000 0.0000 34318.6911 -149238.7720 299.7137 -183557.4630 -149141.1008 300.3366 -34.4834 -4.4654 558641.5018 -9.5605 -9.6158 PRESSURE: 2501800 79.9911 -204.472 70.6345 -204.472 -77.5899 74.5506 70.6358 74.5499 157.368 GPRESSURE: 2501800 95.5971 -168.916 56.6605 -234.365 -3.56433 98.9817 53.4705 27.7484 145.549 PRESSAVG: 2501800 -14.4726 23.8852 18.0107 23.8853 17.7017 -31.6271 18.0107 -31.627 23.4845 GPRESSAVG: 2501800 -14.0204 25.1547 19.0266 24.1645 18.3551 -32.5369 16.3731 -30.0005 22.2972 TIMING: 2501800 CPU: 7250.08, 0.002871/step Wall: 7250.08, 0.002871/step, 1.99231 hours remaining, 211.535156 MB of memory in use. ENERGY: 2501800 748.1281 2052.7233 1931.7735 104.3245 -206510.3682 17863.7375 0.0000 0.0000 34583.9069 -149225.7744 302.0299 -183809.6814 -149138.5459 299.7669 53.2563 79.1938 555653.8200 8.9045 8.8773 PRESSURE: 2502000 17.8939 -124.815 -176.319 -124.817 -189.406 13.8076 -176.319 13.8088 -115.337 GPRESSURE: 2502000 77.857 -104.963 -167.068 -93.2277 -197 39.6162 -173.077 -35.705 -75.1145 PRESSAVG: 2502000 -16.5273 -20.7616 -26.9333 -20.7616 -57.3933 -34.1583 -26.9332 -34.1583 73.8236 GPRESSAVG: 2502000 -16.6628 -19.4794 -26.7959 -22.8957 -57.7501 -32.4785 -26.6321 -36.8284 74.05 TIMING: 2502000 CPU: 7250.65, 0.00288159/step Wall: 7250.65, 0.00288159/step, 1.9995 hours remaining, 211.535156 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: 2502000 794.6421 2003.1222 1958.1562 124.8346 -206054.0624 17708.1194 0.0000 0.0000 34280.7301 -149184.4578 299.3821 -183465.1879 -149089.7637 299.8757 -95.6163 -64.7525 556741.8769 -0.0323 -0.1210 PRESSURE: 2502200 -192.111 -228.221 -2.31956 -228.222 -9.21753 -32.8442 -2.3196 -32.844 -29.0929 GPRESSURE: 2502200 -177.586 -213.929 -81.7551 -181.026 56.6677 -33.3451 -98.0274 -34.3001 -19.9805 PRESSAVG: 2502200 -4.02516 -21.3449 -46.6283 -21.3449 -16.0517 17.8816 -46.6284 17.8817 88.2788 GPRESSAVG: 2502200 -3.89772 -21.112 -48.1253 -20.2459 -15.5007 14.8167 -48.1994 20.6816 87.3595 TIMING: 2502200 CPU: 7251.23, 0.00288719/step Wall: 7251.23, 0.00288719/step, 2.00323 hours remaining, 211.535156 MB of memory in use. ENERGY: 2502200 707.4171 2100.6032 1967.6396 133.0989 -206013.2982 17625.5790 0.0000 0.0000 34384.7383 -149094.2221 300.2905 -183478.9604 -148995.1725 300.0988 -76.8071 -46.9662 557314.8930 22.7340 22.6537 PRESSURE: 2502400 66.3375 -101.193 1.58117 -101.193 -15.6897 -16.0294 1.58149 -16.0289 120.034 GPRESSURE: 2502400 137.944 -83.3059 89.0012 -75.6847 8.62266 15.6355 -24.9735 122.143 116.597 PRESSAVG: 2502400 -10.8649 -21.5088 -35.5005 -21.5088 -24.5771 19.0956 -35.5005 19.0955 40.3646 GPRESSAVG: 2502400 -10.334 -21.8357 -34.678 -22.3418 -25.7334 21.6574 -33.2852 17.6764 40.9214 TIMING: 2502400 CPU: 7251.81, 0.00288126/step Wall: 7251.81, 0.00288126/step, 1.99895 hours remaining, 211.535156 MB of memory in use. ENERGY: 2502400 779.5220 2051.3914 1950.8223 107.3157 -205969.1766 17669.5677 0.0000 0.0000 34219.6670 -149190.8905 298.8489 -183410.5575 -149094.4569 299.7745 56.8938 87.7214 554907.2761 1.6409 1.6180 PRESSURE: 2502600 -290.89 73.7247 88.4829 73.7255 -230.014 160.544 88.4838 160.545 -169.749 GPRESSURE: 2502600 -300.13 -30.5185 15.0388 63.5531 -161.369 175.821 183.839 147.027 -137.163 PRESSAVG: 2502600 37.8358 40.6972 2.01098 40.6971 -52.626 60.3844 2.01107 60.3844 27.6923 GPRESSAVG: 2502600 36.8069 40.6512 0.914256 41.2601 -53.0216 61.329 3.1344 60.8763 28.7655 TIMING: 2502600 CPU: 7252.38, 0.00289167/step Wall: 7252.38, 0.00289167/step, 2.00601 hours remaining, 211.535156 MB of memory in use. ENERGY: 2502600 747.6597 2037.8068 1965.3943 118.2744 -205742.2294 17398.9418 0.0000 0.0000 34126.2131 -149347.9393 298.0327 -183474.1523 -149250.2092 299.2642 -230.2180 -199.5540 556564.8672 4.3007 4.1836 PRESSURE: 2502800 -187.02 -110.817 53.8345 -110.816 -171.258 98.5511 53.8358 98.5512 -203.681 GPRESSURE: 2502800 -147.925 -101.415 58.838 -117.429 -141.729 66.402 13.5554 126.604 -174.08 PRESSAVG: 2502800 -22.423 9.86713 27.7478 9.86722 6.31044 37.6335 27.7478 37.6336 10.0435 GPRESSAVG: 2502800 -22.1259 10.6145 28.9842 9.28527 6.51967 37.4596 26.8148 38.0148 9.54828 TIMING: 2502800 CPU: 7252.96, 0.00290062/step Wall: 7252.96, 0.00290062/step, 2.01206 hours remaining, 211.535156 MB of memory in use. ENERGY: 2502800 731.1270 2088.8561 1943.3927 117.1196 -206333.3982 17604.1007 0.0000 0.0000 34231.6702 -149617.1319 298.9537 -183848.8021 -149522.6870 298.3411 -187.3196 -154.5777 556822.8612 -2.0230 -2.0193 PRESSURE: 2503000 -106.022 61.014 61.8132 61.0134 -27.6623 93.8862 61.8149 93.8864 314.9 GPRESSURE: 2503000 -52.3961 78.4278 108.898 53.5825 43.5863 107.211 63.8591 42.1469 290.954 PRESSAVG: 2503000 -42.1302 -36.5301 2.29069 -36.5301 -6.5039 57.614 2.29076 57.6139 80.4745 GPRESSAVG: 2503000 -41.9584 -36.1214 2.28378 -35.124 -6.23523 58.7034 2.20351 57.0317 80.4658 TIMING: 2503000 CPU: 7253.54, 0.00290061/step Wall: 7253.54, 0.00290061/step, 2.01189 hours remaining, 211.535156 MB of memory in use. ENERGY: 2503000 764.3572 2096.4178 1938.7467 108.8328 -206559.3027 17917.3242 0.0000 0.0000 34171.3538 -149562.2704 298.4269 -183733.6241 -149462.9381 298.2828 60.4051 94.0481 556713.1472 10.6135 10.7574 PRESSURE: 2503200 29.293 8.55938 -163.053 8.55909 -24.2294 129.877 -163.053 129.876 -25.4577 GPRESSURE: 2503200 51.0984 12.3293 -93.8308 33.4564 -19.6046 103.277 -175.672 124.078 43.2754 PRESSAVG: 2503200 30.9212 27.1375 12.8743 27.1376 -70.527 18.4606 12.8743 18.4605 28.0868 GPRESSAVG: 2503200 31.1248 25.8591 12.7607 26.623 -69.2114 15.9524 12.3156 20.1986 26.9297 TIMING: 2503200 CPU: 7254.12, 0.00289466/step Wall: 7254.12, 0.00289466/step, 2.00761 hours remaining, 211.535156 MB of memory in use. ENERGY: 2503200 767.8258 2088.1714 1943.3598 103.5567 -206840.6941 17893.7877 0.0000 0.0000 34481.7647 -149562.2278 301.1378 -184043.9926 -149463.7549 298.5677 -6.7981 24.9231 555965.5716 -3.8397 -3.7190 PRESSURE: 2503400 52.5281 -110.909 -134.676 -110.91 56.135 96.4895 -134.676 96.4879 30.2533 GPRESSURE: 2503400 81.8423 22.4228 -167.317 -117.063 84.1525 123.973 -125.935 96.091 64.6789 PRESSAVG: 2503400 -36.6424 21.2359 -61.2917 21.2358 51.7784 15.7337 -61.2917 15.7337 30.8426 GPRESSAVG: 2503400 -36.9846 22.8531 -62.6955 19.5744 49.7752 15.419 -61.5868 15.1186 32.8382 TIMING: 2503400 CPU: 7254.71, 0.00292598/step Wall: 7254.71, 0.00292597/step, 2.02916 hours remaining, 211.535156 MB of memory in use. ENERGY: 2503400 750.7760 2072.3434 1961.4217 101.8462 -206670.1502 17977.3913 0.0000 0.0000 34319.7817 -149486.5898 299.7232 -183806.3715 -149391.3523 298.6580 46.3055 76.8912 555371.4382 15.3262 15.2096 PRESSURE: 2503600 -23.214 84.5496 -68.9743 84.5498 -75.8723 3.77813 -68.9741 3.77701 -8.30942 GPRESSURE: 2503600 1.57885 69.0575 -54.7934 -39.4656 -28.2016 1.83243 27.4349 13.9129 18.4407 PRESSAVG: 2503600 7.46298 -46.4434 -14.138 -46.4434 23.9211 3.86753 -14.138 3.86752 -34.1518 GPRESSAVG: 2503600 8.74977 -48.6539 -13.3333 -45.3372 24.3003 5.19771 -13.4069 2.46175 -35.7725 TIMING: 2503600 CPU: 7255.29, 0.00291825/step Wall: 7255.29, 0.00291825/step, 2.02364 hours remaining, 211.535156 MB of memory in use. ENERGY: 2503600 720.6153 2094.0730 1922.1821 110.8828 -206437.1587 17769.4113 0.0000 0.0000 34284.9530 -149535.0410 299.4190 -183819.9940 -149442.3639 298.4832 -35.7986 -2.7273 557372.2510 -0.9226 -0.9074 PRESSURE: 2503800 -271.023 -10.1349 20.8195 -10.1354 -272.197 -65.1891 20.8205 -65.1893 88.0223 GPRESSURE: 2503800 -193.166 15.5512 92.2117 -46.3257 -271.371 -42.0594 13.3008 -43.4997 118.243 PRESSAVG: 2503800 -19.8847 -16.7387 -19.6677 -16.7386 -1.44088 1.7747 -19.6677 1.77473 8.13413 GPRESSAVG: 2503800 -20.608 -16.5317 -19.8314 -18.1113 -2.12231 1.81181 -18.93 2.01118 10.0312 TIMING: 2503800 CPU: 7255.87, 0.00290602/step Wall: 7255.87, 0.00290602/step, 2.015 hours remaining, 211.671875 MB of memory in use. ENERGY: 2503800 705.7369 2086.8653 1941.0679 122.3260 -205937.2026 17492.2329 0.0000 0.0000 33983.6912 -149605.2825 296.7880 -183588.9737 -149514.8790 298.0486 -151.7326 -115.4314 556716.3987 -4.3972 -4.2330 PRESSURE: 2504000 186.769 27.8159 52.7227 27.8173 55.6814 76.0035 52.7228 76.0042 -95.5837 GPRESSURE: 2504000 215.933 -1.08614 -62.5888 4.63363 64.3111 80.0468 53.9374 40.4768 -54.7525 PRESSAVG: 2504000 25.2267 -38.0783 -24.218 -38.0782 -26.3312 78.5093 -24.218 78.5093 2.62186 GPRESSAVG: 2504000 24.7971 -40.6809 -24.5453 -35.403 -24.8598 79.6473 -24.8323 77.1337 1.46995 TIMING: 2504000 CPU: 7256.46, 0.00291263/step Wall: 7256.46, 0.00291263/step, 2.01943 hours remaining, 211.671875 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: 2504000 738.2652 2073.6476 1939.7254 109.8874 -206151.4505 17812.9864 0.0000 0.0000 34141.5133 -149335.4252 298.1663 -183476.9385 -149235.6345 298.6271 48.9556 75.1638 557947.0517 0.5058 0.4691 PRESSURE: 2504200 -140.71 -64.6351 -145.945 -64.6346 55.4504 19.02 -145.946 19.022 -35.8126 GPRESSURE: 2504200 -162.881 -2.82889 -167.623 -133.592 73.2698 23.797 -137.865 97.8777 71.5667 PRESSAVG: 2504200 27.2952 -28.9998 -51.0115 -28.9997 -40.6897 47.149 -51.0116 47.1489 22.8518 GPRESSAVG: 2504200 27.475 -27.3208 -50.1689 -30.2102 -41.1417 46.8422 -50.4571 47.4994 23.6471 TIMING: 2504200 CPU: 7257.04, 0.00290185/step Wall: 7257.04, 0.00290185/step, 2.01179 hours remaining, 211.671875 MB of memory in use. ENERGY: 2504200 725.2921 2088.2645 1946.7932 116.2173 -206296.5934 17858.7984 0.0000 0.0000 34251.5477 -149309.6802 299.1273 -183561.2279 -149209.3829 298.9867 -40.3574 -6.0147 557806.0615 3.1524 3.3268 LDB: ============= START OF LOAD BALANCING ============== 7260.42 LDB: ============== END OF LOAD BALANCING =============== 7260.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7260.42 LDB: ============= START OF LOAD BALANCING ============== 7260.71 LDB: Largest compute 4800 load 0.024323 is 20.6% of average load 0.117882 LDB: Average compute 0.001740 is 1.5% of average load 0.117882 LDB: TIME 7260.72 LOAD: AVG 0.117882 MAX 0.179259 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 7260.72 LOAD: AVG 0.117882 MAX 0.179259 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: TIME 7260.72 LOAD: AVG 0.117882 MAX 0.179259 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: ============== END OF LOAD BALANCING =============== 7260.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7260.72 PRESSURE: 2504400 24.6135 68.8158 68.1394 68.8153 -151.527 111.348 68.1393 111.347 -95.3788 GPRESSURE: 2504400 111.4 42.9024 64.8463 44.4004 -164.726 158.36 43.655 77.7863 -69.8909 PRESSAVG: 2504400 -44.7153 -42.7093 -47.8723 -42.7094 14.3651 -49.256 -47.8723 -49.256 13.1916 GPRESSAVG: 2504400 -44.0518 -43.4394 -49.5899 -43.3731 13.7285 -49.8989 -47.8027 -49.7632 13.1766 TIMING: 2504400 CPU: 7257.63, 0.00296043/step Wall: 7257.63, 0.00296043/step, 2.05223 hours remaining, 207.699219 MB of memory in use. ENERGY: 2504400 744.2992 2061.1454 1925.1318 102.1834 -206650.4510 18015.0526 0.0000 0.0000 34331.9262 -149470.7123 299.8293 -183802.6385 -149372.7251 298.3867 -74.0975 -41.0724 558093.0233 -5.7195 -5.7156 PRESSURE: 2504600 -11.5074 184.544 -96.5224 184.544 -4.84266 75.6404 -96.5221 75.6397 -172.371 GPRESSURE: 2504600 7.34729 133.501 -92.2067 110.509 -27.8883 -3.91335 -90.0542 62.5659 -74.5805 PRESSAVG: 2504600 5.92609 -24.4084 -33.4262 -24.4084 -14.0619 -20.6613 -33.4262 -20.6613 -0.612015 GPRESSAVG: 2504600 4.2789 -24.0665 -33.1197 -23.6833 -13.6239 -19.8267 -33.6456 -20.8839 -0.0534905 TIMING: 2504600 CPU: 7258.21, 0.0028994/step Wall: 7258.21, 0.0028994/step, 2.00977 hours remaining, 207.699219 MB of memory in use. ENERGY: 2504600 755.5144 2066.3232 1925.5217 112.9859 -205948.9497 17573.0115 0.0000 0.0000 34242.1980 -149273.3949 299.0456 -183515.5929 -149174.7792 298.4395 -62.9071 -31.7072 558460.9888 -2.9159 -3.1328 PRESSURE: 2504800 18.2858 -88.3658 -73.6083 -88.3655 -212.2 -202.215 -73.6079 -202.213 -69.4308 GPRESSURE: 2504800 8.45915 -124.64 -35.9239 -52.6526 -121.072 -108.366 -51.4322 -111.063 -61.8731 PRESSAVG: 2504800 6.79 -42.0301 17.7944 -42.0301 -1.2271 -11.7245 17.7944 -11.7244 11.9977 GPRESSAVG: 2504800 6.85822 -40.6965 19.5951 -41.0208 0.00857396 -11.5913 17.3714 -10.8185 11.0962 TIMING: 2504800 CPU: 7258.79, 0.00290639/step Wall: 7258.79, 0.00290639/step, 2.01445 hours remaining, 207.699219 MB of memory in use. ENERGY: 2504800 730.1428 2079.0316 1926.2055 120.9046 -206288.6477 17745.6116 0.0000 0.0000 34397.1652 -149289.5863 300.3990 -183686.7515 -149190.3473 299.0976 -87.7818 -58.1622 558477.7748 5.8535 5.9877 PRESSURE: 2505000 253.575 90.6632 21.6082 90.6654 79.6011 148.725 21.6075 148.723 57.367 GPRESSURE: 2505000 224.705 148.813 5.55609 122.399 139.647 38.3534 4.41445 123.594 122.088 PRESSAVG: 2505000 44.8141 32.6213 -2.87164 32.6212 -9.32562 4.43359 -2.8716 4.43353 -45.2464 GPRESSAVG: 2505000 44.6702 32.901 -5.11856 33.0002 -9.8505 5.7207 -1.67658 3.21138 -44.5679 TIMING: 2505000 CPU: 7259.37, 0.00289142/step Wall: 7259.37, 0.00289142/step, 2.00392 hours remaining, 207.699219 MB of memory in use. ENERGY: 2505000 803.5879 2130.2963 1960.8693 119.4035 -206717.9315 18145.8415 0.0000 0.0000 34185.5679 -149372.3652 298.5511 -183557.9331 -149275.3607 299.1207 130.1809 162.1468 557016.9803 -3.2526 -3.2494 PRESSURE: 2505200 -31.5013 55.2596 35.9037 55.2598 45.7537 32.6354 35.9032 32.6341 -88.0859 GPRESSURE: 2505200 -19.4412 112.436 57.8766 11.9704 142.999 77.6896 62.3465 -3.76294 -98.4322 PRESSAVG: 2505200 3.09203 54.5728 16.42 54.5727 -37.7543 10.0074 16.42 10.0073 24.0632 GPRESSAVG: 2505200 3.86547 52.8579 16.8797 52.9734 -37.2329 6.20919 17.164 12.6332 23.3386 TIMING: 2505200 CPU: 7259.95, 0.00290927/step Wall: 7259.95, 0.00290927/step, 2.01613 hours remaining, 207.699219 MB of memory in use. ENERGY: 2505200 740.9819 2073.7660 1947.5753 110.1210 -206285.3772 17642.3662 0.0000 0.0000 34419.2420 -149351.3248 300.5918 -183770.5668 -149252.2037 299.0857 -24.6112 8.3752 556167.8323 -3.5330 -3.3429 PRESSURE: 2505400 -130.672 104.263 10.3451 104.262 89.6896 -34.9055 10.3452 -34.9078 258.986 GPRESSURE: 2505400 -85.8386 90.7342 30.0438 172.458 95.5503 13.6038 -54.7648 -107.626 308.978 PRESSAVG: 2505400 1.22192 -15.5106 47.5433 -15.5104 -14.0385 21.929 47.5432 21.929 79.1083 GPRESSAVG: 2505400 1.04753 -15.1672 49.3633 -15.4357 -14.4548 25.4294 45.5527 19.0797 79.5225 TIMING: 2505400 CPU: 7260.53, 0.00291673/step Wall: 7260.53, 0.00291673/step, 2.02113 hours remaining, 207.699219 MB of memory in use. ENERGY: 2505400 764.0115 2141.2097 1950.6269 113.7934 -206155.3042 17849.1055 0.0000 0.0000 34097.2946 -149239.2627 297.7802 -183336.5573 -149146.1035 299.4100 72.6681 106.2300 556774.5096 22.0972 22.0384 PRESSURE: 2505600 -16.9743 -32.0789 67.775 -32.0782 -159.384 -59.425 67.7743 -59.4251 -26.2301 GPRESSURE: 2505600 -14.3023 -15.2727 82.8932 -14.0488 -87.4287 -95.2706 36.7658 -53.1563 -2.64594 PRESSAVG: 2505600 -63.1161 16.8733 66.1605 16.8733 25.4741 -0.528655 66.1604 -0.528529 35.2718 GPRESSAVG: 2505600 -61.516 20.4212 63.78 17.6385 25.1358 -2.47504 68.0228 1.49612 34.3601 TIMING: 2505600 CPU: 7261.12, 0.00294442/step Wall: 7261.12, 0.00294442/step, 2.04016 hours remaining, 207.699219 MB of memory in use. ENERGY: 2505600 762.0651 2092.3267 1929.6643 100.1183 -205992.7232 17678.4883 0.0000 0.0000 34280.2686 -149149.7918 299.3781 -183430.0605 -149052.0737 299.9569 -67.5295 -34.7923 557702.6377 -0.7901 -0.6734 PRESSURE: 2505800 -80.8888 -42.3807 26.6077 -42.3809 -172.946 29.5843 26.6077 29.5844 -117.449 GPRESSURE: 2505800 -60.5141 -19.4496 85.2542 -72.5357 -93.6851 51.7837 113.311 34.1619 -117.871 PRESSAVG: 2505800 -44.4585 -28.6338 49.6423 -28.6339 33.9357 5.97195 49.6422 5.97188 -23.3484 GPRESSAVG: 2505800 -46.3165 -30.8157 49.6869 -29.1831 34.777 6.84928 47.8388 4.33879 -22.876 TIMING: 2505800 CPU: 7261.7, 0.00290937/step Wall: 7261.7, 0.00290937/step, 2.01571 hours remaining, 207.699219 MB of memory in use. ENERGY: 2505800 719.3033 2103.5080 1946.7832 120.1431 -206038.8341 17632.7601 0.0000 0.0000 34220.3583 -149295.9780 298.8549 -183516.3363 -149201.2426 299.2742 -123.7613 -90.6901 557177.2030 -11.2904 -11.4718 PRESSURE: 2506000 75.5017 -25.4257 64.9101 -25.4261 2.15226 -77.354 64.9118 -77.3548 20.9972 GPRESSURE: 2506000 69.6162 -43.0748 19.6127 8.58374 57.3803 -133.954 33.1083 -77.5225 75.4076 PRESSAVG: 2506000 37.4697 19.5976 -7.8256 19.5976 67.4057 -43.2768 -7.82565 -43.2767 -42.5704 GPRESSAVG: 2506000 37.6988 20.1008 -7.31656 21.227 66.4441 -43.9497 -8.24381 -42.2072 -41.9637 TIMING: 2506000 CPU: 7262.28, 0.00290082/step Wall: 7262.28, 0.00290082/step, 2.00963 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2506000 739.6756 2093.7283 1932.7953 109.2133 -206243.4021 17704.9991 0.0000 0.0000 34276.1221 -149386.8684 299.3419 -183662.9904 -149292.4936 299.2867 32.8837 67.4680 555794.6790 20.7683 20.7264 PRESSURE: 2506200 90.2153 53.0573 58.6491 53.0571 109.067 -183.401 58.6486 -183.401 143.579 GPRESSURE: 2506200 102.322 45.4922 73.9979 71.2313 163.214 -147.808 60.6551 -246.519 169.08 PRESSAVG: 2506200 -13.1024 -12.5689 28.1469 -12.5689 54.7049 -19.6275 28.147 -19.6274 -6.9243 GPRESSAVG: 2506200 -13.392 -12.7516 27.8324 -14.3016 55.0384 -18.6655 28.6331 -20.1162 -7.54409 TIMING: 2506200 CPU: 7262.86, 0.00289185/step Wall: 7262.86, 0.00289185/step, 2.00325 hours remaining, 207.699219 MB of memory in use. ENERGY: 2506200 762.8635 2059.9163 1929.0348 119.7564 -206430.2900 17906.9244 0.0000 0.0000 34293.2616 -149358.5330 299.4916 -183651.7946 -149265.0667 298.4858 114.2872 144.8720 556656.9171 11.5594 11.3675 PRESSURE: 2506400 65.2648 -62.3542 26.7814 -62.3541 -60.4566 6.02844 26.7821 6.0291 -259.459 GPRESSURE: 2506400 6.98044 -136.306 -63.7653 -31.1607 21.5189 85.278 192.113 -36.1673 -207.431 PRESSAVG: 2506400 52.7583 6.22358 42.6674 6.22355 -41.6564 -0.865937 42.6674 -0.86608 -56.9082 GPRESSAVG: 2506400 52.1808 6.86929 42.7905 4.97323 -40.7073 -0.467676 43.109 -0.764585 -57.6147 TIMING: 2506400 CPU: 7263.44, 0.00288714/step Wall: 7263.44, 0.00288714/step, 1.99982 hours remaining, 207.699219 MB of memory in use. ENERGY: 2506400 721.6221 2071.9288 1943.9051 118.8160 -206060.4458 17599.9648 0.0000 0.0000 34166.8130 -149437.3960 298.3873 -183604.2090 -149338.5842 298.3516 -84.8835 -59.6437 557490.7126 -15.2688 -15.3804 PRESSURE: 2506600 149.982 141.194 -60.4568 141.194 141.512 -65.667 -60.4576 -65.6669 -12.0578 GPRESSURE: 2506600 163.602 60.2237 -1.94181 223.814 147.545 -121.862 -105.378 -17.9048 60.5824 PRESSAVG: 2506600 -17.3957 12.3716 -9.58405 12.3717 28.8985 -21.877 -9.58403 -21.877 -2.05396 GPRESSAVG: 2506600 -17.976 12.2792 -9.30379 14.2063 28.8277 -23.7379 -9.98798 -21.3099 -1.47957 TIMING: 2506600 CPU: 7264.02, 0.00287911/step Wall: 7264.02, 0.00287911/step, 1.9941 hours remaining, 207.699219 MB of memory in use. ENERGY: 2506600 724.4467 2091.7342 1952.8513 108.9837 -206208.7337 17958.1946 0.0000 0.0000 33956.9069 -149415.6163 296.5541 -183372.5232 -149320.3919 298.5698 93.1455 123.9099 557592.1786 3.1496 3.1240 PRESSURE: 2506800 381.907 -8.02685 -11.5835 -8.02658 -214.814 -93.0286 -11.5838 -93.0279 81.3166 GPRESSURE: 2506800 412.844 -4.82054 133.303 57.8179 -176.593 -65.2879 -53.6356 -108.726 113.803 PRESSAVG: 2506800 33.6952 3.85382 8.8136 3.85391 15.4116 18.2336 8.81366 18.2337 -16.5174 GPRESSAVG: 2506800 35.1456 3.14176 8.76724 2.75419 15.0361 18.3232 7.38006 17.6992 -17.018 TIMING: 2506800 CPU: 7264.59, 0.00286583/step Wall: 7264.59, 0.00286583/step, 1.98474 hours remaining, 207.699219 MB of memory in use. ENERGY: 2506800 736.4331 2115.1846 1915.0623 121.6090 -206842.8798 18108.6172 0.0000 0.0000 34302.3853 -149543.5882 299.5713 -183845.9735 -149438.3200 298.9362 82.8032 116.6847 558590.5708 10.8632 11.0546 PRESSURE: 2507000 -69.3846 -0.498337 93.8383 -0.498554 80.1282 222.086 93.8379 222.086 -278.274 GPRESSURE: 2507000 -134.69 7.21931 83.2988 -108.067 137.437 188.057 100.545 228.253 -178.841 PRESSAVG: 2507000 13.7864 -11.7121 -9.78747 -11.7121 59.4867 -21.7195 -9.78747 -21.7195 -37.861 GPRESSAVG: 2507000 12.6799 -10.4428 -9.47193 -12.1361 58.2151 -20.9478 -8.992 -21.8989 -35.0927 TIMING: 2507000 CPU: 7265.17, 0.00288794/step Wall: 7265.17, 0.00288794/step, 1.9999 hours remaining, 207.699219 MB of memory in use. ENERGY: 2507000 777.5101 2109.0590 1945.7177 114.9318 -206296.9445 17728.4770 0.0000 0.0000 34350.6579 -149270.5910 299.9928 -183621.2489 -149178.1473 299.4366 -89.1769 -58.6981 556661.9636 11.8041 11.9341 PRESSURE: 2507200 -89.7886 -80.0025 -237.529 -80.0031 -127.038 -8.81907 -237.531 -8.81843 -52.5005 GPRESSURE: 2507200 -90.2506 -13.3563 -240.664 -70.0665 -105.766 -32.0028 -210.439 -38.8255 18.2015 PRESSAVG: 2507200 -25.9124 -32.4069 36.6713 -32.4068 -0.861281 61.8073 36.6713 61.8073 4.98879 GPRESSAVG: 2507200 -25.1008 -31.6605 37.2154 -31.7683 -1.0612 59.6726 36.1805 61.2925 3.96811 TIMING: 2507200 CPU: 7265.74, 0.00288406/step Wall: 7265.74, 0.00288406/step, 1.99705 hours remaining, 207.699219 MB of memory in use. ENERGY: 2507200 745.6329 2090.4703 1974.1401 110.4228 -206160.5385 17590.5819 0.0000 0.0000 34243.9587 -149405.3317 299.0610 -183649.2904 -149311.9828 298.8198 -89.7759 -59.2716 558248.3705 -7.2616 -7.3980 PRESSURE: 2507400 164.131 -31.2542 -231.611 -31.2543 -10.3851 -26.7128 -231.611 -26.7135 58.6544 GPRESSURE: 2507400 200.668 -36.3288 -254.083 -0.566813 1.46697 -29.7115 -131.732 -59.19 103.383 PRESSAVG: 2507400 6.12031 -77.9711 35.8719 -77.9711 -16.7067 31.5089 35.8719 31.5089 -2.59297 GPRESSAVG: 2507400 6.57593 -77.9028 34.4685 -81.3375 -15.1977 33.2405 36.3941 31.2833 -4.42931 TIMING: 2507400 CPU: 7266.32, 0.00288706/step Wall: 7266.32, 0.00288706/step, 1.99897 hours remaining, 207.699219 MB of memory in use. ENERGY: 2507400 731.7574 2048.8926 1959.4298 112.3433 -206314.0082 17855.3209 0.0000 0.0000 34219.6987 -149386.5656 298.8491 -183606.2643 -149294.1047 298.8296 70.8001 101.8394 558380.9888 -4.3931 -4.3504 PRESSURE: 2507600 121.763 -32.4479 -61.3537 -32.4486 82.3476 15.2597 -61.3536 15.2592 195.215 GPRESSURE: 2507600 134.022 -63.6066 -123.873 0.323377 134.211 18.1102 -6.2032 -58.3898 227.914 PRESSAVG: 2507600 36.1696 -10.0688 -30.0674 -10.0688 -20.4723 14.4758 -30.0675 14.4758 -4.96542 GPRESSAVG: 2507600 34.8044 -12.1242 -30.3996 -5.19141 -20.3595 14.4407 -30.7556 14.1063 -4.31584 TIMING: 2507600 CPU: 7266.9, 0.0028788/step Wall: 7266.9, 0.0028788/step, 1.99309 hours remaining, 207.699219 MB of memory in use. ENERGY: 2507600 736.6645 2119.2467 1949.3849 112.8600 -206878.8090 18212.0325 0.0000 0.0000 34216.1631 -149532.4574 298.8183 -183748.6204 -149438.5566 298.4571 133.1085 165.3823 557115.2838 3.5773 3.3764 PRESSURE: 2507800 -53.3369 112.086 -70.8493 112.085 -90.3271 -8.7323 -70.8489 -8.73187 24.6194 GPRESSURE: 2507800 51.9686 104.554 15.0414 113.289 -100.519 56.1352 -58.4821 -68.8703 24.6705 PRESSAVG: 2507800 -21.057 44.9704 -33.4262 44.9705 -6.97394 29.6915 -33.4262 29.6915 25.0459 GPRESSAVG: 2507800 -19.907 46.5332 -33.2872 43.9056 -7.97181 28.4802 -33.5925 31.3838 24.8902 TIMING: 2507800 CPU: 7267.48, 0.00289294/step Wall: 7267.48, 0.00289294/step, 2.00271 hours remaining, 207.699219 MB of memory in use. ENERGY: 2507800 731.4538 2070.5434 1916.0921 110.9381 -206238.9074 17790.4624 0.0000 0.0000 34058.6239 -149560.7937 297.4424 -183619.4176 -149465.7335 298.2609 -39.6815 -7.9599 558322.0323 -0.9950 -0.9962 PRESSURE: 2508000 63.3508 -117.392 -22.6325 -117.393 32.7877 30.871 -22.632 30.8687 84.8596 GPRESSURE: 2508000 13.2125 -29.4149 -59.1102 -179.697 150.84 -4.57353 -114.793 0.42085 108.111 PRESSAVG: 2508000 -26.9254 4.63815 -2.84561 4.63813 -55.7038 31.1745 -2.84562 31.1744 69.459 GPRESSAVG: 2508000 -26.9741 3.6513 -2.94162 5.4689 -54.2906 34.1316 -0.859641 27.8574 68.6323 TIMING: 2508000 CPU: 7268.05, 0.00289162/step Wall: 7268.05, 0.00289162/step, 2.00165 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2508000 744.4943 2122.9165 1920.0905 109.7479 -206834.3393 18234.1360 0.0000 0.0000 34135.8955 -149567.0584 298.1173 -183702.9540 -149464.8152 298.8058 60.3327 90.7213 557157.0317 -4.3901 -4.2108 PRESSURE: 2508200 -86.686 50.9239 30.3092 50.9235 -179.519 2.23291 30.3099 2.2332 42.5633 GPRESSURE: 2508200 -90.1681 81.1035 5.81124 15.4115 -134.177 76.4649 97.4421 17.8082 98.0325 PRESSAVG: 2508200 -6.91346 23.531 -25.2476 23.5309 3.35791 38.5092 -25.2476 38.5092 26.8261 GPRESSAVG: 2508200 -6.47804 25.3042 -25.1357 22.2208 2.18603 37.3705 -27.6812 39.7911 26.9473 TIMING: 2508200 CPU: 7268.64, 0.00290756/step Wall: 7268.64, 0.00290756/step, 2.01252 hours remaining, 207.699219 MB of memory in use. ENERGY: 2508200 763.4318 2134.6729 1947.7047 119.6203 -206242.3254 17742.3967 0.0000 0.0000 34121.6674 -149412.8316 297.9930 -183534.4990 -149319.9740 298.6208 -74.5473 -42.1041 557240.6929 7.7568 7.5518 LDB: ============= START OF LOAD BALANCING ============== 7272.02 LDB: ============== END OF LOAD BALANCING =============== 7272.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7272.02 LDB: ============= START OF LOAD BALANCING ============== 7272.31 LDB: Largest compute 4800 load 0.023871 is 20.2% of average load 0.117915 LDB: Average compute 0.001752 is 1.5% of average load 0.117915 LDB: TIME 7272.31 LOAD: AVG 0.117915 MAX 0.177827 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.91 MB LDB: TIME 7272.31 LOAD: AVG 0.117915 MAX 0.177827 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: TIME 7272.31 LOAD: AVG 0.117915 MAX 0.177827 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: ============== END OF LOAD BALANCING =============== 7272.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7272.32 PRESSURE: 2508400 27.1477 -148.575 -183.477 -148.576 236.787 -115.784 -183.478 -115.785 -231.743 GPRESSURE: 2508400 83.2253 -134.678 -163.368 -198.103 207.209 -13.1164 -163.323 -161.097 -161.031 PRESSAVG: 2508400 21.6452 31.5474 -17.9008 31.5474 24.6954 14.563 -17.9009 14.563 -30.9474 GPRESSAVG: 2508400 21.1113 30.4812 -18.7822 32.6936 24.8436 12.5795 -16.8278 15.0921 -30.1831 TIMING: 2508400 CPU: 7269.22, 0.00292672/step Wall: 7269.22, 0.00292672/step, 2.02561 hours remaining, 209.890625 MB of memory in use. ENERGY: 2508400 762.6460 2114.6339 1935.4693 111.7221 -206411.8276 17875.9878 0.0000 0.0000 34198.8731 -149412.4953 298.6673 -183611.3684 -149315.2992 298.4925 10.7306 43.1341 558192.7504 5.1311 5.2573 PRESSURE: 2508600 -93.9673 -55.7597 -108.654 -55.7593 -10.2212 -71.7342 -108.653 -71.7328 -177.13 GPRESSURE: 2508600 -14.5862 -80.8285 -117.16 -107.704 13.9592 -126.2 -160.696 -31.7441 -177.277 PRESSAVG: 2508600 34.3259 27.474 -33.4415 27.474 -53.2078 20.756 -33.4414 20.756 29.1553 GPRESSAVG: 2508600 35.1237 28.4621 -33.6989 27.4818 -52.7026 21.4836 -31.897 19.12 27.9776 TIMING: 2508600 CPU: 7269.8, 0.00289814/step Wall: 7269.8, 0.00289814/step, 2.00568 hours remaining, 210.093750 MB of memory in use. ENERGY: 2508600 761.4152 2126.4039 1934.6031 104.9442 -206332.1558 17807.0884 0.0000 0.0000 34087.5780 -149510.1230 297.6953 -183597.7011 -149408.8332 298.0515 -93.7728 -59.3013 557659.1101 3.4245 3.4662 PRESSURE: 2508800 -14.409 115.543 157.849 115.544 -112.076 120.682 157.849 120.682 -2.61153 GPRESSURE: 2508800 -4.70159 118.926 88.085 29.1852 -64.3519 55.098 142.658 86.6861 47.5486 PRESSAVG: 2508800 -8.25932 17.3443 -44.6489 17.3442 -22.7504 14.7634 -44.649 14.7634 59.4727 GPRESSAVG: 2508800 -8.41954 18.4704 -41.9311 14.5889 -21.89 14.4532 -45.751 16.2222 58.8184 TIMING: 2508800 CPU: 7270.38, 0.0029141/step Wall: 7270.38, 0.0029141/step, 2.01656 hours remaining, 210.093750 MB of memory in use. ENERGY: 2508800 749.6090 2125.1611 1930.4978 93.5965 -206370.4997 17923.5056 0.0000 0.0000 34049.5261 -149498.6036 297.3630 -183548.1297 -149402.4873 298.3411 -43.0321 -7.1683 558822.6099 9.4877 9.5029 PRESSURE: 2509000 9.94946 25.2008 -139.61 25.2008 -250.849 14.5187 -139.611 14.519 -13.8857 GPRESSURE: 2509000 -17.7994 59.7897 -155.674 18.7984 -191.24 -58.0662 -177.336 51.0688 49.9582 PRESSAVG: 2509000 -17.6679 -3.84707 0.291138 -3.847 -99.1688 -15.0318 0.291151 -15.0318 66.5047 GPRESSAVG: 2509000 -18.9122 -4.81177 -0.662233 -1.41299 -100.339 -16.6366 -0.0882364 -16.2601 68.3706 TIMING: 2509000 CPU: 7270.96, 0.00287364/step Wall: 7270.96, 0.00287364/step, 1.9884 hours remaining, 210.093750 MB of memory in use. ENERGY: 2509000 793.0284 2143.5668 1932.2470 108.6756 -206472.6984 17773.2181 0.0000 0.0000 34269.8605 -149452.1019 299.2872 -183721.9625 -149350.3352 298.7576 -84.9284 -53.0270 557143.6613 -16.7774 -16.9602 PRESSURE: 2509200 174.163 37.6752 -131.154 37.6749 -67.3453 47.3599 -131.154 47.3613 -224.238 GPRESSURE: 2509200 214.762 50.2432 -92.7938 42.2941 -35.5588 79.8887 -173.21 44.636 -209.796 PRESSAVG: 2509200 60.4019 -24.9078 -27.0825 -24.9078 -50.187 -22.2749 -27.0825 -22.2748 42.4982 GPRESSAVG: 2509200 61.8677 -26.5052 -28.5298 -25.552 -50.855 -20.6397 -26.2752 -21.3359 41.8579 TIMING: 2509200 CPU: 7271.54, 0.00290294/step Wall: 7271.54, 0.00290294/step, 2.00851 hours remaining, 210.093750 MB of memory in use. ENERGY: 2509200 770.7526 2132.7894 1933.4996 120.8366 -206307.6761 17892.5297 0.0000 0.0000 34009.8407 -149447.4275 297.0164 -183457.2682 -149345.5540 298.4396 -39.1399 -10.1976 557681.7461 17.5710 17.6235 PRESSURE: 2509400 -10.7923 152.518 1.17205 152.519 -143.237 -42.9549 1.17176 -42.9553 -150.149 GPRESSURE: 2509400 -13.1372 194.969 -0.74892 161.984 -145.529 96.1094 -13.5491 -105.35 -53.6562 PRESSAVG: 2509400 17.9407 18.0139 -18.7619 18.0139 -19.4483 -21.2977 -18.7618 -21.2977 -11.0711 GPRESSAVG: 2509400 17.8946 18.6002 -16.9188 18.0024 -19.8811 -23.267 -19.5977 -19.4938 -10.6083 TIMING: 2509400 CPU: 7272.12, 0.00289713/step Wall: 7272.12, 0.00289713/step, 2.00433 hours remaining, 210.093750 MB of memory in use. ENERGY: 2509400 783.7278 2139.8889 1971.8346 118.9967 -206389.4765 17958.3506 0.0000 0.0000 33976.2036 -149440.4743 296.7226 -183416.6779 -149349.3462 298.5122 -101.3929 -70.7740 558639.3133 -4.1929 -4.1983 PRESSURE: 2509600 -303.471 -161.016 118.801 -161.017 -171.914 79.3286 118.801 79.3275 -5.18218 GPRESSURE: 2509600 -244.774 -95.0178 89.5748 -198.729 -168.213 -11.5962 133.058 119.365 26.3906 PRESSAVG: 2509600 51.5421 1.28949 -30.5614 1.28951 -44.3327 -38.1383 -30.5615 -38.1381 -12.897 GPRESSAVG: 2509600 50.4281 0.856992 -29.2734 2.92416 -43.0004 -34.83 -31.2571 -40.2864 -12.8937 TIMING: 2509600 CPU: 7272.7, 0.00290294/step Wall: 7272.7, 0.00290294/step, 2.00819 hours remaining, 210.093750 MB of memory in use. ENERGY: 2509600 762.2572 2123.4155 1930.2465 134.3903 -206527.1661 17902.0819 0.0000 0.0000 34133.2458 -149541.5289 298.0941 -183674.7747 -149443.9803 298.6392 -160.1891 -128.8654 559500.3971 -1.8959 -1.8220 PRESSURE: 2509800 229.753 -72.3803 74.3836 -72.3809 47.0749 65.3018 74.3836 65.3029 11.0267 GPRESSURE: 2509800 266.715 14.0718 120.883 -146.311 89.4813 66.609 13.2021 113.421 24.8189 PRESSAVG: 2509800 -35.0562 -26.0293 -14.3799 -26.0292 10.4008 -16.988 -14.3799 -16.9881 -2.72207 GPRESSAVG: 2509800 -34.6567 -23.998 -19.0116 -28.7081 10.5583 -15.9599 -13.0554 -18.28 -3.27725 TIMING: 2509800 CPU: 7273.28, 0.00290444/step Wall: 7273.28, 0.00290444/step, 2.00907 hours remaining, 210.292969 MB of memory in use. ENERGY: 2509800 752.9409 2124.4101 1942.8781 114.9030 -206784.9049 18125.3694 0.0000 0.0000 34263.7335 -149460.6697 299.2337 -183724.4032 -149361.3417 298.5370 95.9517 127.0050 558228.1319 -9.1258 -9.1252 PRESSURE: 2510000 -98.1752 -108.463 -48.4161 -108.462 -76.111 -24.8635 -48.4173 -24.8622 -187.617 GPRESSURE: 2510000 -98.863 -140.33 -48.2118 -36.9168 -24.2307 -15.5696 -6.58495 4.76294 -154.168 PRESSAVG: 2510000 -15.4216 -5.56954 34.5331 -5.56954 19.1232 6.36067 34.5331 6.36071 -18.2861 GPRESSAVG: 2510000 -14.5543 -4.34044 38.4856 -4.65404 17.8325 5.04268 33.3458 6.10984 -18.5205 TIMING: 2510000 CPU: 7273.86, 0.00289039/step Wall: 7273.86, 0.00289039/step, 1.99918 hours remaining, 210.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2510000 763.7664 2108.9874 1939.4510 109.0993 -206770.2949 17814.0877 0.0000 0.0000 34280.6477 -149754.2554 299.3814 -184034.9031 -149651.4238 298.9449 -120.6344 -92.4206 556616.6369 -4.8615 -5.0808 PRESSURE: 2510200 -27.6268 -111.346 -94.9911 -111.346 -65.2903 -57.9135 -94.9903 -57.9124 105.888 GPRESSURE: 2510200 -27.8155 -128.015 -39.2608 -51.9458 10.5918 -1.3343 -152.406 -136.972 122.519 PRESSAVG: 2510200 -17.1829 -18.7485 1.64719 -18.7485 9.46916 17.6577 1.64724 17.6577 -11.4886 GPRESSAVG: 2510200 -18.7542 -19.4164 0.440016 -19.0789 10.6398 16.21 2.25896 19.9017 -10.9855 TIMING: 2510200 CPU: 7274.43, 0.00287142/step Wall: 7274.43, 0.00287142/step, 1.98591 hours remaining, 210.292969 MB of memory in use. ENERGY: 2510200 772.3137 2096.8434 1939.5232 109.8911 -206816.9934 18056.4012 0.0000 0.0000 34111.7993 -149730.2215 297.9068 -183842.0208 -149645.4951 298.5672 4.3236 35.0985 557331.6397 -6.4008 -6.3666 PRESSURE: 2510400 17.7262 28.5458 -43.8436 28.5462 -135.725 66.2042 -43.8442 66.2031 162.586 GPRESSURE: 2510400 167.416 6.86538 9.98368 -12.0849 -178.154 44.8542 -161.566 100.425 150.58 PRESSAVG: 2510400 36.0998 33.2654 -22.7348 33.2654 -65.8624 -27.8546 -22.7347 -27.8545 53.0729 GPRESSAVG: 2510400 37.3774 31.2697 -24.4986 33.3933 -67.1154 -25.1502 -22.6088 -26.8946 53.2574 TIMING: 2510400 CPU: 7275.01, 0.00289274/step Wall: 7275.01, 0.00289274/step, 2.00049 hours remaining, 210.292969 MB of memory in use. ENERGY: 2510400 737.2576 2094.0714 1952.4240 120.0214 -207102.8869 18142.9528 0.0000 0.0000 34465.8598 -149590.3000 300.9989 -184056.1598 -149488.6997 298.4471 14.8626 46.6140 557758.7026 7.7701 7.8398 PRESSURE: 2510600 10.2615 -36.6432 -24.5807 -36.644 -91.5032 -27.8353 -24.5807 -27.8366 -297.278 GPRESSURE: 2510600 69.7969 -56.2618 -7.56141 39.705 -137.681 17.908 -64.0214 7.64504 -206.53 PRESSAVG: 2510600 -17.1173 39.014 36.5052 39.0142 2.22497 -42.336 36.5051 -42.336 15.1553 GPRESSAVG: 2510600 -15.7107 41.3198 39.6475 38.8852 1.48428 -41.9673 36.4035 -43.0209 14.5393 TIMING: 2510600 CPU: 7275.59, 0.00291634/step Wall: 7275.59, 0.00291634/step, 2.01665 hours remaining, 210.292969 MB of memory in use. ENERGY: 2510600 752.4042 2060.3585 1945.5910 114.2271 -206377.2178 17729.9429 0.0000 0.0000 34156.0453 -149618.6488 298.2932 -183774.6941 -149522.0008 298.8805 -126.1733 -91.4714 558627.1950 0.0877 0.1043 PRESSURE: 2510800 -165.389 11.1931 30.6736 11.1937 -152.152 -38.2505 30.6735 -38.2499 -138.708 GPRESSURE: 2510800 -121.869 86.1461 -6.49128 9.70854 -99.1709 -150.221 104.592 -57.0984 -144.388 PRESSAVG: 2510800 28.4403 -41.4283 -6.6961 -41.4283 -37.5235 -17.9294 -6.69598 -17.9295 9.11135 GPRESSAVG: 2510800 26.903 -42.9749 -7.73438 -39.8175 -35.9842 -19.5228 -7.93089 -17.5542 9.30539 TIMING: 2510800 CPU: 7276.17, 0.0028769/step Wall: 7276.17, 0.0028769/step, 1.98922 hours remaining, 210.292969 MB of memory in use. ENERGY: 2510800 787.9948 2079.8196 1952.6433 103.8840 -206566.2855 17715.1566 0.0000 0.0000 34319.3621 -149607.4253 299.7195 -183926.7873 -149511.6060 298.6017 -152.0828 -121.8092 557297.6367 0.0094 0.0747 PRESSURE: 2511000 75.7376 -44.8194 -182.331 -44.8193 -130.224 -106.647 -182.331 -106.646 -322.731 GPRESSURE: 2511000 99.3419 -39.3988 -175.695 2.85923 -86.2957 -66.2198 -156.551 -61.7798 -276.477 PRESSAVG: 2511000 -35.2487 52.403 -36.6717 52.4031 7.15153 -52.9389 -36.6717 -52.939 -2.85938 GPRESSAVG: 2511000 -34.4619 52.0569 -34.4794 50.9379 5.26657 -52.7343 -37.9066 -52.9227 -1.53805 TIMING: 2511000 CPU: 7276.74, 0.00287148/step Wall: 7276.74, 0.00287148/step, 1.98531 hours remaining, 210.292969 MB of memory in use. ENERGY: 2511000 730.7010 2189.7408 1943.6059 104.2719 -206011.7952 17665.2261 0.0000 0.0000 33968.6716 -149409.5779 296.6569 -183378.2495 -149308.5694 299.1506 -125.7392 -87.8103 559414.4726 -10.3188 -10.2445 PRESSURE: 2511200 111.004 43.5937 -137.986 43.5944 73.1684 129.147 -137.986 129.146 -49.9553 GPRESSURE: 2511200 191.832 -3.57518 -110.864 53.8458 97.0415 94.7014 -161.436 59.0638 -52.7073 PRESSAVG: 2511200 34.4178 -8.8754 -31.8078 -8.8755 29.2386 -54.3325 -31.8078 -54.3325 -4.26437 GPRESSAVG: 2511200 33.9782 -8.51443 -32.5112 -10.337 31.2221 -53.6931 -31.1048 -56.1596 -5.64848 TIMING: 2511200 CPU: 7277.32, 0.0028745/step Wall: 7277.32, 0.0028745/step, 1.98724 hours remaining, 210.292969 MB of memory in use. ENERGY: 2511200 783.1216 2156.2051 1975.6975 117.6201 -206646.1434 18128.7078 0.0000 0.0000 34317.6349 -149167.1565 299.7044 -183484.7914 -149069.9918 299.4699 44.7391 78.7220 557242.2915 19.7974 19.8506 PRESSURE: 2511400 206.168 34.958 -97.6684 34.9582 1.77007 13.3537 -97.6676 13.3543 -27.2352 GPRESSURE: 2511400 236.492 150.883 -96.6148 54.3465 52.3516 14.7301 -19.5093 -31.1798 -16.2555 PRESSAVG: 2511400 39.9138 -13.7169 16.9431 -13.7168 -55.4784 78.9761 16.9429 78.9761 28.6591 GPRESSAVG: 2511400 40.2263 -13.3558 12.8602 -14.3281 -55.5204 77.8203 20.6057 80.0727 27.8952 TIMING: 2511400 CPU: 7277.89, 0.00286271/step Wall: 7277.89, 0.00286271/step, 1.97893 hours remaining, 210.292969 MB of memory in use. ENERGY: 2511400 734.8371 2108.7471 1961.6025 113.5783 -206623.8102 18043.9134 0.0000 0.0000 34365.9536 -149295.1782 300.1264 -183661.1319 -149196.0218 299.3412 60.2341 90.8626 557964.2209 4.3648 4.2003 PRESSURE: 2511600 -9.96775 11.1574 -7.84313 11.1569 -221.952 -116.704 -7.84354 -116.704 -318.349 GPRESSURE: 2511600 43.4028 -38.9687 -28.5503 32.1497 -219.923 -29.4763 7.62908 -143.156 -268.755 PRESSAVG: 2511600 0.0293717 -58.6443 13.3715 -58.6443 -42.0221 26.9235 13.3714 26.9236 21.8602 GPRESSAVG: 2511600 0.4404 -60.9173 15.668 -54.8201 -43.221 26.5965 10.6568 27.6789 22.9099 TIMING: 2511600 CPU: 7278.47, 0.00287396/step Wall: 7278.47, 0.00287396/step, 1.98655 hours remaining, 210.292969 MB of memory in use. ENERGY: 2511600 773.5769 2105.1334 1938.1223 122.2944 -206254.1363 17717.1347 0.0000 0.0000 34359.4956 -149238.3791 300.0700 -183597.8746 -149140.9663 299.0151 -183.4231 -148.4253 559307.7561 -6.7108 -6.6236 PRESSURE: 2511800 -171.823 -66.761 -7.67323 -66.7607 -8.16765 -72.359 -7.67525 -72.3572 26.9705 GPRESSURE: 2511800 -136.992 -129.245 53.4863 -63.6767 24.5068 -159.069 -29.9743 -60.388 46.6311 PRESSAVG: 2511800 26.7775 -48.054 69.6561 -48.0538 -41.7765 61.9789 69.6561 61.9788 14.3999 GPRESSAVG: 2511800 26.984 -46.3681 68.3108 -49.6146 -41.1357 61.5737 71.3947 60.8989 13.8261 TIMING: 2511800 CPU: 7279.04, 0.00289699/step Wall: 7279.04, 0.00289699/step, 2.0023 hours remaining, 210.292969 MB of memory in use. ENERGY: 2511800 763.7702 2108.7922 1982.2314 119.6518 -206280.8626 17821.5848 0.0000 0.0000 34363.1890 -149121.6432 300.1023 -183484.8322 -149032.9285 299.8970 -51.0067 -21.9515 558586.4709 -0.1997 -0.1085 PRESSURE: 2512000 105.956 110.493 26.5691 110.494 129.335 113.891 26.5707 113.891 -116.993 GPRESSURE: 2512000 150.004 53.5992 -103.519 122.527 150.055 131.012 42.7268 91.1501 -91.51 PRESSAVG: 2512000 -21.2582 -13.1588 -15.6695 -13.1588 11.6883 -7.48095 -15.6694 -7.48097 -6.97064 GPRESSAVG: 2512000 -21.7676 -13.9793 -14.3944 -11.9949 13.022 -7.84134 -18.5426 -7.53134 -7.73597 TIMING: 2512000 CPU: 7279.62, 0.00287795/step Wall: 7279.62, 0.00287795/step, 1.98898 hours remaining, 210.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2512000 735.1753 2083.0293 1972.3247 119.9953 -206004.9049 17712.8953 0.0000 0.0000 34142.4713 -149239.0138 298.1747 -183381.4851 -149130.8866 299.8061 39.4324 69.5163 557656.4348 -5.5135 -5.4939 PRESSURE: 2512200 -49.0614 -52.6997 127.51 -52.7006 162.22 -50.7605 127.509 -50.7615 80.0943 GPRESSURE: 2512200 21.816 -50.6447 116.165 -102.618 181.516 -95.9112 178.347 -63.781 84.4191 PRESSAVG: 2512200 -47.9447 19.1019 8.47854 19.1018 -25.4469 34.8165 8.47851 34.8165 43.9233 GPRESSAVG: 2512200 -47.7046 18.4336 5.97576 19.1104 -25.3469 33.5553 12.4764 34.889 43.4753 TIMING: 2512200 CPU: 7280.2, 0.0028948/step Wall: 7280.2, 0.0028948/step, 2.00047 hours remaining, 210.292969 MB of memory in use. ENERGY: 2512200 726.9568 2072.8265 1959.3355 109.2536 -206232.9589 17781.4427 0.0000 0.0000 34399.3528 -149183.7912 300.4181 -183583.1440 -149089.9234 299.8535 64.4176 95.9171 556299.5782 -9.8228 -9.8587 LDB: ============= START OF LOAD BALANCING ============== 7283.58 LDB: ============== END OF LOAD BALANCING =============== 7283.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7283.58 LDB: ============= START OF LOAD BALANCING ============== 7283.87 LDB: Largest compute 4800 load 0.022547 is 19.1% of average load 0.117879 LDB: Average compute 0.001741 is 1.5% of average load 0.117879 LDB: TIME 7283.87 LOAD: AVG 0.117879 MAX 0.178956 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.008 MB LDB: TIME 7283.88 LOAD: AVG 0.117879 MAX 0.178956 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: TIME 7283.88 LOAD: AVG 0.117879 MAX 0.178956 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7283.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7283.88 PRESSURE: 2512400 -174.163 112.351 27.296 112.35 -37.8317 -38.3226 27.2972 -38.3229 -147.945 GPRESSURE: 2512400 -165.783 49.0901 1.21014 17.1515 -27.6951 -71.4191 20.4967 -29.3521 -80.9351 PRESSAVG: 2512400 -14.5495 -19.6217 6.09775 -19.6216 -18.9497 -41.6777 6.09779 -41.6777 39.008 GPRESSAVG: 2512400 -14.088 -16.2037 9.35282 -21.571 -19.2964 -40.2005 5.99906 -42.0748 38.7232 TIMING: 2512400 CPU: 7280.79, 0.00293197/step Wall: 7280.79, 0.00293197/step, 2.02599 hours remaining, 208.195312 MB of memory in use. ENERGY: 2512400 784.1475 2116.2769 1959.8390 112.5499 -206108.0817 17708.8447 0.0000 0.0000 34384.8014 -149041.6222 300.2910 -183426.4236 -148943.1472 299.7457 -119.9798 -91.4712 558733.5634 1.8363 1.7796 PRESSURE: 2512600 -37.8946 73.6754 -57.6145 73.6758 20.8293 -142.705 -57.6147 -142.704 -68.9223 GPRESSURE: 2512600 -42.3126 133.141 -12.3003 74.3645 44.0322 -76.9435 11.6334 -144.265 5.97104 PRESSAVG: 2512600 51.6961 31.7768 -19.2694 31.7769 -16.7361 -5.23234 -19.2694 -5.23233 -25.1923 GPRESSAVG: 2512600 50.6355 30.4216 -19.1936 31.0389 -17.3903 -5.14792 -20.4564 -5.95888 -23.6578 TIMING: 2512600 CPU: 7281.36, 0.00289462/step Wall: 7281.36, 0.00289462/step, 2.00002 hours remaining, 208.195312 MB of memory in use. ENERGY: 2512600 726.6845 2065.2452 1948.8730 117.7423 -206024.9515 17729.0280 0.0000 0.0000 34239.0287 -149198.3497 299.0180 -183437.3785 -149104.4530 299.6438 -28.6625 2.5636 557269.5688 3.2559 3.1958 PRESSURE: 2512800 89.0631 -175.502 73.433 -175.503 -162.425 9.89591 73.4336 9.89843 -36.7498 GPRESSURE: 2512800 97.3675 -219.943 32.9517 -98.8053 -82.868 -18.9046 102.479 -4.18569 -19.2635 PRESSAVG: 2512800 16.491 -35.5997 -37.9975 -35.5997 -1.05749 -14.925 -37.9976 -14.9248 23.4314 GPRESSAVG: 2512800 16.5957 -37.772 -39.4014 -34.7118 0.128149 -15.527 -38.1536 -12.4849 22.9315 TIMING: 2512800 CPU: 7281.95, 0.00291014/step Wall: 7281.95, 0.00291014/step, 2.01058 hours remaining, 208.195312 MB of memory in use. ENERGY: 2512800 804.2390 2078.4630 1968.1427 114.5383 -205956.1272 17869.8148 0.0000 0.0000 34223.1116 -148897.8179 298.8789 -183120.9295 -148806.5250 299.3003 -36.7040 -1.5880 558058.3614 12.9550 13.2185 PRESSURE: 2513000 -259.176 136.249 122.549 136.249 10.9854 39.5613 122.549 39.5611 -128.902 GPRESSURE: 2513000 -208.091 66.6181 65.7374 56.6373 65.5853 -12.2922 180.76 99.1599 -151.94 PRESSAVG: 2513000 89.3722 -18.3479 -44.8859 -18.3478 -7.34602 10.3306 -44.8859 10.3307 -123.766 GPRESSAVG: 2513000 89.6068 -17.1511 -43.1188 -18.907 -7.27539 12.8798 -46.5506 5.50053 -123.843 TIMING: 2513000 CPU: 7282.52, 0.00288154/step Wall: 7282.52, 0.00288154/step, 1.99066 hours remaining, 208.277344 MB of memory in use. ENERGY: 2513000 747.6106 2135.0008 1946.5196 111.9323 -205773.5956 17691.6582 0.0000 0.0000 34259.0966 -148881.7776 299.1932 -183140.8742 -148785.2466 300.3605 -125.6976 -98.1487 559429.8357 -13.9134 -13.8373 PRESSURE: 2513200 87.1921 69.9972 -103.115 69.996 54.7995 138.329 -103.114 138.329 28.0723 GPRESSURE: 2513200 159.732 -20.2315 -18.0451 112.797 83.7302 173.285 -97.1116 158.328 8.71223 PRESSAVG: 2513200 3.53692 -3.8869 70.9867 -3.887 51.9431 -8.29156 70.9866 -8.29161 -22.7577 GPRESSAVG: 2513200 4.40154 -4.60158 70.3598 -1.96734 52.0654 -10.3258 71.2788 -5.33022 -23.4545 TIMING: 2513200 CPU: 7283.1, 0.00287528/step Wall: 7283.1, 0.00287528/step, 1.98618 hours remaining, 208.277344 MB of memory in use. ENERGY: 2513200 727.3931 2099.7041 1943.4357 117.4113 -206003.4043 17974.9915 0.0000 0.0000 34347.7520 -148792.7166 299.9675 -183140.4686 -148698.1775 300.8446 56.6880 84.0582 559793.0668 10.9075 11.0042 PRESSURE: 2513400 -305.4 -147.586 133.172 -147.585 -414.584 47.5513 133.173 47.5516 -369.707 GPRESSURE: 2513400 -268.211 -99.1673 70.2856 -164.197 -388.441 77.7031 82.3209 59.3307 -332.438 PRESSAVG: 2513400 -4.10824 -2.15199 5.53109 -2.15199 60.3693 24.8798 5.53097 24.8797 -57.2628 GPRESSAVG: 2513400 -4.48761 -1.04998 4.03981 -1.79141 60.2751 26.3138 7.41743 22.6969 -57.2567 TIMING: 2513400 CPU: 7283.68, 0.0028995/step Wall: 7283.68, 0.0028995/step, 2.00275 hours remaining, 208.277344 MB of memory in use. ENERGY: 2513400 750.2576 2082.0497 1942.7950 115.4982 -205414.0704 17532.4680 0.0000 0.0000 34217.1846 -148773.8173 298.8272 -182991.0019 -148680.3706 300.4322 -363.2304 -329.6969 561091.9861 -0.3339 -0.4897 PRESSURE: 2513600 -316.944 -41.9759 -77.0294 -41.9762 -286.23 137.072 -77.0304 137.072 -244.808 GPRESSURE: 2513600 -272.541 -99.2129 -77.5269 41.5256 -306.887 88.0876 -111.711 120.451 -168.504 PRESSAVG: 2513600 21.9608 -41.8417 21.7573 -41.8417 -32.2542 -1.24346 21.7572 -1.24342 16.6997 GPRESSAVG: 2513600 21.3556 -41.9163 23.1875 -41.4967 -31.8583 -1.55456 20.5797 -0.681826 17.2431 TIMING: 2513600 CPU: 7284.25, 0.002868/step Wall: 7284.25, 0.002868/step, 1.98083 hours remaining, 208.277344 MB of memory in use. ENERGY: 2513600 749.1522 2090.6636 1951.1762 113.3790 -205613.2407 17453.2266 0.0000 0.0000 34280.7344 -148974.9086 299.3822 -183255.6431 -148879.7357 300.6885 -282.6603 -249.3106 559919.2734 2.1354 2.2468 PRESSURE: 2513800 76.1886 -88.4547 39.3281 -88.4542 -110.75 -25.4664 39.3264 -25.4655 -117.392 GPRESSURE: 2513800 71.1296 18.7727 81.6045 -77.2888 -50.0378 -30.0279 40.7536 -32.4434 -71.6525 PRESSAVG: 2513800 56.8649 -47.8343 -49.3209 -47.8343 -16.7463 -0.183306 -49.321 -0.183312 -44.6376 GPRESSAVG: 2513800 57.423 -46.8377 -50.4729 -50.0286 -17.242 -1.46268 -50.308 1.6196 -45.1551 TIMING: 2513800 CPU: 7284.83, 0.00289345/step Wall: 7284.83, 0.00289345/step, 1.99825 hours remaining, 208.277344 MB of memory in use. ENERGY: 2513800 715.8779 2066.1492 1974.2966 112.3971 -205632.7906 17526.2782 0.0000 0.0000 34388.0967 -148849.6947 300.3198 -183237.7915 -148750.0135 299.9952 -50.6511 -16.8536 559163.1796 -1.5063 -1.6581 PRESSURE: 2514000 94.4248 -47.1687 138.828 -47.1691 -297.206 -121.677 138.828 -121.678 -85.0669 GPRESSURE: 2514000 171.956 -44.5177 130.759 -64.8278 -271.695 -43.0647 136.192 -217.257 -88.9505 PRESSAVG: 2514000 3.96358 -14.8012 -31.3752 -14.8012 13.7229 19.7477 -31.3753 19.7477 -13.2599 GPRESSAVG: 2514000 3.42159 -14.255 -31.4243 -13.5658 12.6915 20.0032 -30.6827 18.5545 -11.8933 TIMING: 2514000 CPU: 7285.41, 0.00289894/step Wall: 7285.41, 0.00289894/step, 2.00188 hours remaining, 208.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2514000 732.2392 2080.9017 1947.7645 112.5827 -205705.8564 17584.8603 0.0000 0.0000 34346.7774 -148900.7306 299.9589 -183247.5079 -148806.0469 300.4155 -95.9495 -62.8963 557627.9053 1.4755 1.4066 PRESSURE: 2514200 -263.937 34.1887 -68.743 34.188 -204.888 -100.094 -68.743 -100.094 -199.707 GPRESSURE: 2514200 -221.451 -41.9268 -101.439 5.63221 -178.001 -24.776 -68.8041 -203.107 -159.505 PRESSAVG: 2514200 2.59409 19.2096 -43.3081 19.2096 6.13815 -0.611866 -43.3082 -0.611845 38.1752 GPRESSAVG: 2514200 3.00074 15.248 -44.6159 18.7234 7.35365 -0.20686 -40.5099 0.292023 36.3555 TIMING: 2514200 CPU: 7285.98, 0.00287043/step Wall: 7285.98, 0.00287043/step, 1.98203 hours remaining, 208.277344 MB of memory in use. ENERGY: 2514200 723.2629 2055.7680 1940.2251 116.3095 -205473.0611 17388.4986 0.0000 0.0000 34414.4631 -148834.5339 300.5501 -183248.9970 -148735.9448 299.9959 -222.8439 -186.3188 559707.4630 15.6358 15.5700 PRESSURE: 2514400 -64.9833 3.05118 54.7088 3.0512 91.9421 55.3124 54.7091 55.3121 144.154 GPRESSURE: 2514400 -94.5077 14.8653 -20.8076 -60.2501 175.133 123.773 120.154 40.0151 189.593 PRESSAVG: 2514400 -25.7795 -4.48604 -10.6303 -4.48615 41.3501 20.8987 -10.6303 20.8988 -0.316056 GPRESSAVG: 2514400 -26.395 -2.55057 -10.8782 -3.78862 40.5514 19.2327 -11.6724 19.1551 1.30175 TIMING: 2514400 CPU: 7286.56, 0.00287083/step Wall: 7286.56, 0.00287083/step, 1.98215 hours remaining, 208.277344 MB of memory in use. ENERGY: 2514400 745.6794 2069.5951 1970.9184 115.1954 -206125.6810 17904.2627 0.0000 0.0000 34372.1845 -148947.8455 300.1808 -183320.0300 -148856.9027 300.0603 57.0375 90.0728 556961.9747 5.0849 5.1527 PRESSURE: 2514600 -303.795 -59.5498 58.508 -59.5486 96.1667 -93.9902 58.5073 -93.9886 189.501 GPRESSURE: 2514600 -256.679 -195.911 92.2459 65.5482 110.038 -1.41699 -6.97708 -126.994 232.132 PRESSAVG: 2514600 -2.64252 -27.5372 -29.2928 -27.5373 -0.686959 57.6739 -29.2929 57.6741 10.7605 GPRESSAVG: 2514600 -2.98876 -28.2183 -27.1596 -27.7837 -0.0438557 62.0293 -29.9063 54.785 10.7984 TIMING: 2514600 CPU: 7287.14, 0.0028873/step Wall: 7287.14, 0.0028873/step, 1.99336 hours remaining, 208.277344 MB of memory in use. ENERGY: 2514600 754.8630 2070.4370 1935.1305 99.1965 -206134.2811 17793.6400 0.0000 0.0000 34532.9077 -148948.1065 301.5845 -183481.0142 -148843.2295 300.4022 -6.0423 28.4967 557190.1494 2.4770 2.5886 PRESSURE: 2514800 -199.185 132.264 174.792 132.265 -79.8631 1.13238 174.792 1.13132 -244.049 GPRESSURE: 2514800 -159.102 126.74 167.444 120.386 -33.3671 -12.2235 145.502 -51.6304 -229.115 PRESSAVG: 2514800 21.6928 17.7089 29.8709 17.7089 -38.944 15.6043 29.871 15.6043 30.0252 GPRESSAVG: 2514800 21.5702 18.9393 30.3085 17.5968 -37.5415 11.4384 29.3666 19.2929 29.2803 TIMING: 2514800 CPU: 7287.71, 0.00289185/step Wall: 7287.71, 0.00289185/step, 1.99634 hours remaining, 208.343750 MB of memory in use. ENERGY: 2514800 737.1136 2115.7300 1945.5479 103.8375 -205956.6198 17700.5336 0.0000 0.0000 34409.0788 -148944.7782 300.5030 -183353.8571 -148840.5440 299.8463 -174.3657 -140.5280 559623.6783 4.2580 4.4363 PRESSURE: 2515000 174.82 -48.0336 125.612 -48.0334 52.3498 -84.85 125.611 -84.8499 65.9853 GPRESSURE: 2515000 204.362 -71.261 95.7747 -58.1453 63.462 -185.571 118.29 -120.831 108.733 PRESSAVG: 2515000 23.461 5.41221 -19.8726 5.4123 -15.7321 -13.7969 -19.8725 -13.797 -61.9395 GPRESSAVG: 2515000 24.1451 4.70905 -19.9415 4.30398 -15.7877 -12.4379 -19.0033 -13.217 -62.7674 TIMING: 2515000 CPU: 7288.29, 0.00287585/step Wall: 7288.29, 0.00287585/step, 1.98513 hours remaining, 208.343750 MB of memory in use. ENERGY: 2515000 742.2370 2056.8010 1942.8437 101.1683 -206162.1644 17923.9335 0.0000 0.0000 34283.6954 -149111.4854 299.4080 -183395.1809 -149012.4281 299.9724 97.7183 125.5188 558736.7164 -18.0702 -18.1367 PRESSURE: 2515200 231.002 130.611 67.8711 130.609 98.063 -66.2725 67.8712 -66.2737 124.94 GPRESSURE: 2515200 293.622 4.97655 142.084 227.598 138.23 -82.0617 83.7449 -135.34 139.024 PRESSAVG: 2515200 -15.8637 46.188 46.2612 46.1879 24.2709 -16.1457 46.2611 -16.1458 8.90384 GPRESSAVG: 2515200 -16.0866 46.9943 44.9449 45.7192 24.888 -14.8931 45.6798 -18.3912 8.52948 TIMING: 2515200 CPU: 7288.86, 0.00286692/step Wall: 7288.86, 0.00286692/step, 1.97881 hours remaining, 208.343750 MB of memory in use. ENERGY: 2515200 765.5925 2077.8996 1942.7288 119.1713 -206027.1933 17742.2894 0.0000 0.0000 34314.4262 -149065.0854 299.6764 -183379.5116 -148975.6105 300.0655 151.3351 190.2920 558621.6176 5.7703 5.7770 PRESSURE: 2515400 185.861 106.039 -60.1789 106.039 302.399 -75.5041 -60.1771 -75.5044 174.722 GPRESSURE: 2515400 247.312 97.1603 -33.9068 82.6471 361.268 -38.4537 -35.5675 -60.4174 151.484 PRESSAVG: 2515400 -22.4698 41.403 18.1802 41.403 29.0039 16.0869 18.1802 16.087 -14.5093 GPRESSAVG: 2515400 -21.9265 39.8669 21.4388 41.9461 28.1046 14.5966 17.7927 17.0828 -14.3837 TIMING: 2515400 CPU: 7289.44, 0.00289534/step Wall: 7289.44, 0.00289534/step, 1.99827 hours remaining, 208.343750 MB of memory in use. ENERGY: 2515400 734.4081 2025.9624 1963.2675 115.6061 -206463.8585 18081.0079 0.0000 0.0000 34461.6648 -149081.9416 300.9623 -183543.6064 -148984.3077 299.6940 220.9939 253.3548 556719.5702 -2.6584 -2.7352 PRESSURE: 2515600 -241.006 52.3799 67.1799 52.3794 -40.5958 -115.996 67.1798 -115.998 -300.402 GPRESSURE: 2515600 -207.157 94.5406 45.3099 20.8221 -60.6033 -128.465 151.77 -108.824 -211.637 PRESSAVG: 2515600 -55.1588 30.3518 34.9324 30.3519 -16.966 -26.0034 34.9324 -26.0033 61.8894 GPRESSAVG: 2515600 -54.9034 31.214 32.1143 29.6838 -17.1673 -26.652 35.1404 -24.7239 61.8557 TIMING: 2515600 CPU: 7290.02, 0.00288778/step Wall: 7290.02, 0.00288778/step, 1.99289 hours remaining, 208.343750 MB of memory in use. ENERGY: 2515600 749.4904 2116.7354 1958.1585 120.7417 -205844.3979 17388.3048 0.0000 0.0000 34390.5254 -149120.4416 300.3410 -183510.9671 -149014.2349 299.4964 -194.0011 -159.7988 557545.3355 -3.4118 -3.4050 PRESSURE: 2515800 -47.7983 90.8892 -222.071 90.8908 -257.648 121.311 -222.073 121.311 85.4726 GPRESSURE: 2515800 49.6522 124.881 -338.367 63.7416 -263.851 137.844 -221.885 148.015 90.3568 PRESSAVG: 2515800 -25.5654 31.2701 -43.8877 31.2702 -13.4775 -11.9449 -43.8877 -11.9448 21.5049 GPRESSAVG: 2515800 -25.192 30.3491 -41.7943 32.2681 -14.3308 -11.1452 -44.1057 -11.4227 21.7564 TIMING: 2515800 CPU: 7290.6, 0.00292387/step Wall: 7290.6, 0.00292387/step, 2.01763 hours remaining, 208.343750 MB of memory in use. ENERGY: 2515800 761.2971 2054.4970 1933.4083 116.3124 -205997.1252 17663.5301 0.0000 0.0000 34388.6970 -149079.3832 300.3250 -183468.0802 -148981.8765 299.1782 -73.3245 -41.2808 556814.7601 -5.8460 -5.9221 PRESSURE: 2516000 168.154 -9.05175 164.694 -9.05161 91.1327 49.0261 164.695 49.0242 22.9933 GPRESSURE: 2516000 210.415 6.58664 187.58 55.5672 103.634 -85.9166 99.8902 107.03 54.8714 PRESSAVG: 2516000 29.1746 6.41471 31.0962 6.41475 37.3209 29.6957 31.0963 29.6958 -2.97009 GPRESSAVG: 2516000 28.0361 6.22423 31.4784 7.36649 38.1259 30.8493 30.2816 29.2115 -2.74861 TIMING: 2516000 CPU: 7291.19, 0.00290939/step Wall: 7291.19, 0.00290939/step, 2.00748 hours remaining, 208.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2516000 755.4405 2056.4287 1975.4237 114.6542 -206113.5970 17838.7655 0.0000 0.0000 34165.4462 -149207.4382 298.3753 -183372.8844 -149112.2885 299.5853 94.0933 122.9735 556424.0407 21.1751 21.1378 PRESSURE: 2516200 26.7732 -14.4085 -88.3662 -14.4088 10.3046 5.53429 -88.3663 5.53378 -157.085 GPRESSURE: 2516200 35.4751 20.8599 -66.5938 -63.3126 36.1958 42.9675 -81.2591 -3.10148 -89.5894 PRESSAVG: 2516200 38.7374 35.6218 -18.3811 35.6217 74.3131 27.2124 -18.3811 27.2122 -94.8155 GPRESSAVG: 2516200 39.0436 37.0203 -20.1088 34.2732 73.5798 27.4154 -17.8896 26.7468 -94.4077 TIMING: 2516200 CPU: 7291.76, 0.00287696/step Wall: 7291.76, 0.00287696/step, 1.98495 hours remaining, 208.343750 MB of memory in use. ENERGY: 2516200 745.3466 2060.1525 1939.5653 108.3197 -206250.6542 17810.6873 0.0000 0.0000 34293.7335 -149292.8494 299.4957 -183586.5829 -149188.1826 299.3868 -40.0025 -5.9728 556099.3845 6.0783 6.0719 LDB: ============= START OF LOAD BALANCING ============== 7295.15 LDB: ============== END OF LOAD BALANCING =============== 7295.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7295.15 LDB: ============= START OF LOAD BALANCING ============== 7295.44 LDB: Largest compute 4800 load 0.022068 is 18.7% of average load 0.117923 LDB: Average compute 0.001753 is 1.5% of average load 0.117923 LDB: TIME 7295.44 LOAD: AVG 0.117923 MAX 0.178414 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.004 MB LDB: TIME 7295.44 LOAD: AVG 0.117923 MAX 0.178414 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.207 MB LDB: TIME 7295.44 LOAD: AVG 0.117923 MAX 0.178414 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7295.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7295.45 PRESSURE: 2516400 188.433 -7.01448 63.5976 -7.01367 -53.9561 164.186 63.5981 164.186 32.9072 GPRESSURE: 2516400 244.997 -4.69491 -16.9504 -11.3108 -27.8264 116.739 33.1247 258.533 51.0642 PRESSAVG: 2516400 6.7297 15.5628 -57.4183 15.5628 25.6704 18.3977 -57.4182 18.3978 -7.1462 GPRESSAVG: 2516400 6.21537 14.4382 -56.3948 15.4611 26.6455 15.7171 -55.8693 18.8588 -7.2564 TIMING: 2516400 CPU: 7292.35, 0.00294283/step Wall: 7292.35, 0.00294283/step, 2.03023 hours remaining, 209.390625 MB of memory in use. ENERGY: 2516400 728.4942 2028.0892 1952.9654 119.7440 -206077.2421 17851.7210 0.0000 0.0000 34349.1222 -149047.1060 299.9794 -183396.2283 -148953.3913 299.0904 55.7945 89.4115 556406.8959 8.4180 8.5348 PRESSURE: 2516600 70.9124 9.52361 127.499 9.52408 139.935 -85.1004 127.498 -85.0989 -9.19029 GPRESSURE: 2516600 54.4792 -67.8617 189.822 94.1576 171.106 -45.3454 42.5148 -67.6883 56.9642 PRESSAVG: 2516600 11.2253 27.6065 -12.1103 27.6064 -6.64703 35.4467 -12.1103 35.4467 -7.56232 GPRESSAVG: 2516600 10.9787 28.7427 -11.8638 28.6258 -6.52296 38.2021 -13.7207 35.2785 -7.31672 TIMING: 2516600 CPU: 7292.93, 0.0028871/step Wall: 7292.93, 0.0028871/step, 1.99162 hours remaining, 209.562500 MB of memory in use. ENERGY: 2516600 746.3883 2074.2256 1946.5784 112.9813 -206174.2350 17866.6860 0.0000 0.0000 34453.6952 -148973.6802 300.8927 -183427.3753 -148884.4436 300.5198 67.2189 94.1830 556540.9496 -0.9947 -0.9536 PRESSURE: 2516800 22.2021 -29.3075 -65.468 -29.3082 61.8631 2.27289 -65.4682 2.27411 82.1122 GPRESSURE: 2516800 62.1703 8.80855 -61.5878 -71.1984 64.4811 17.3478 -29.9108 -30.2589 139.039 PRESSAVG: 2516800 19.1086 23.6988 -16.7145 23.6988 -36.3692 15.5662 -16.7145 15.5662 42.6988 GPRESSAVG: 2516800 20.0238 23.8156 -17.8851 24.1433 -36.5092 15.7994 -15.4341 16.3057 41.6869 TIMING: 2516800 CPU: 7293.51, 0.00290839/step Wall: 7293.51, 0.00290839/step, 2.00615 hours remaining, 209.562500 MB of memory in use. ENERGY: 2516800 766.4792 2098.2781 1947.5932 111.5518 -206177.2361 17924.1799 0.0000 0.0000 34398.9768 -148930.1772 300.4148 -183329.1540 -148837.9668 300.5407 55.3925 88.5636 555494.6800 8.4794 8.4005 PRESSURE: 2517000 -306.199 -41.4375 21.2055 -41.4366 -72.8673 12.6526 21.2058 12.6528 -240.241 GPRESSURE: 2517000 -287.695 -38.6138 -23.0858 -4.91705 -7.09172 74.1329 19.5548 11.9111 -228.218 PRESSAVG: 2517000 -5.94005 -19.0355 -12.5605 -19.0353 -16.614 20.016 -12.5606 20.0161 3.8092 GPRESSAVG: 2517000 -7.01344 -20.4926 -12.7383 -19.6317 -17.2739 18.7416 -13.2071 20.0695 5.47436 TIMING: 2517000 CPU: 7294.08, 0.00288092/step Wall: 7294.08, 0.00288092/step, 1.98704 hours remaining, 209.562500 MB of memory in use. ENERGY: 2517000 786.5155 2116.0853 1928.4235 118.5317 -205577.6219 17412.5665 0.0000 0.0000 34358.8641 -148856.6353 300.0645 -183215.4993 -148759.2266 300.4683 -206.4358 -174.3348 556642.5051 -6.2483 -6.2710 PRESSURE: 2517200 180.237 102.146 61.9575 102.146 137.619 -176.32 61.9583 -176.32 242.548 GPRESSURE: 2517200 204.206 84.6608 65.9998 47.5793 197.927 -165.896 67.6279 -184.567 259.262 PRESSAVG: 2517200 4.52811 -75.9975 -31.415 -75.9976 -13.5602 13.2502 -31.415 13.2503 39.457 GPRESSAVG: 2517200 5.03384 -77.7318 -30.07 -76.1042 -13.5532 13.0673 -31.2262 15.4171 38.9991 TIMING: 2517200 CPU: 7294.66, 0.00288401/step Wall: 7294.66, 0.00288401/step, 1.98901 hours remaining, 209.562500 MB of memory in use. ENERGY: 2517200 795.0262 2090.4367 1915.1452 115.4014 -206809.0271 18276.2257 0.0000 0.0000 34785.7101 -148831.0817 303.7923 -183616.7918 -148736.8683 300.6933 186.8015 220.4646 556459.0689 10.1416 10.1599 PRESSURE: 2517400 -120.817 -57.9682 -41.5025 -57.9695 -159.829 -191.75 -41.502 -191.75 -243.445 GPRESSURE: 2517400 -98.3032 -186.623 -127.522 23.294 -101 -271.7 -59.2699 -159.142 -214.752 PRESSAVG: 2517400 9.00402 26.6932 -14.7717 26.6931 -54.3908 -24.1205 -14.7719 -24.1205 50.1301 GPRESSAVG: 2517400 9.68541 28.2336 -14.4986 28.1454 -53.6321 -22.9439 -13.9039 -25.9688 48.7008 TIMING: 2517400 CPU: 7295.24, 0.00289848/step Wall: 7295.24, 0.00289848/step, 1.99883 hours remaining, 209.562500 MB of memory in use. ENERGY: 2517400 767.6497 2004.8844 1956.5992 107.2335 -205504.5318 17548.7510 0.0000 0.0000 34394.5014 -148724.9125 300.3757 -183119.4139 -148624.0113 300.8686 -174.6966 -138.0182 559108.5547 1.5811 1.5847 PRESSURE: 2517600 -31.8266 -27.4654 90.2822 -27.4653 164.105 108.609 90.2823 108.608 -127.879 GPRESSURE: 2517600 11.2685 -30.447 70.062 -28.5039 189.231 111.376 104.646 88.5639 -99.8176 PRESSAVG: 2517600 47.5547 5.04536 -3.01817 5.04538 -21.9707 -3.49909 -3.01819 -3.49919 -39.6712 GPRESSAVG: 2517600 45.7097 3.58078 -3.50484 3.5979 -21.8593 -4.73809 -4.20892 -2.92136 -37.3519 TIMING: 2517600 CPU: 7295.82, 0.00290345/step Wall: 7295.82, 0.00290345/step, 2.00209 hours remaining, 209.562500 MB of memory in use. ENERGY: 2517600 767.8821 2062.5589 1947.9508 101.3470 -205869.8755 17772.9517 0.0000 0.0000 34396.0325 -148821.1524 300.3891 -183217.1850 -148720.3133 300.8982 1.4664 33.5605 557503.1324 -4.6957 -4.5005 PRESSURE: 2517800 192.005 60.8362 -109.243 60.8375 187.491 -46.2576 -109.244 -46.2579 341.13 GPRESSURE: 2517800 228.364 84.2978 -106.554 64.4774 227.492 -75.3593 -68.2094 -79.7708 370.414 PRESSAVG: 2517800 -1.60829 -39.9713 -21.1648 -39.9712 11.6845 -13.5165 -21.1647 -13.5165 -31.6356 GPRESSAVG: 2517800 -0.131901 -39.5412 -20.6649 -38.8119 12.4155 -11.8375 -20.6023 -13.1365 -33.3914 TIMING: 2517800 CPU: 7296.4, 0.00289146/step Wall: 7296.4, 0.00289146/step, 1.99366 hours remaining, 209.562500 MB of memory in use. ENERGY: 2517800 708.0117 2132.7367 1950.3469 109.8593 -206296.5060 17895.6758 0.0000 0.0000 34568.5927 -148931.2828 301.8961 -183499.8755 -148832.2219 300.0292 240.2085 275.4235 557190.7070 -7.1864 -7.0360 PRESSURE: 2518000 128.787 -23.0419 -26.2468 -23.042 -286.939 27.7986 -26.2456 27.8001 -27.6537 GPRESSURE: 2518000 146.383 -147.315 -38.0056 59.593 -288.28 105.436 77.1406 17.6598 37.5708 PRESSAVG: 2518000 -14.2982 -33.6139 -21.4341 -33.614 -31.3837 6.43862 -21.4341 6.43865 24.8926 GPRESSAVG: 2518000 -14.5387 -34.6502 -21.9877 -33.8523 -32.2045 5.1728 -20.1824 7.2843 26.4307 TIMING: 2518000 CPU: 7296.98, 0.00291217/step Wall: 7296.98, 0.00291217/step, 2.00778 hours remaining, 209.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2518000 765.0361 2100.2306 1940.6154 109.4315 -206038.9405 17679.1388 0.0000 0.0000 34416.5878 -149027.9004 300.5686 -183444.4881 -148927.0147 299.8603 -61.9352 -34.7756 558370.9907 -6.9297 -6.7708 PRESSURE: 2518200 -20.203 302.923 48.0144 302.924 -65.6249 -6.56198 48.0141 -6.56296 -226.405 GPRESSURE: 2518200 -3.25242 270.342 44.5573 327.377 -26.7505 -71.0481 36.8682 -35.3511 -191.029 PRESSAVG: 2518200 -0.47977 24.3476 -21.1016 24.3477 -38.1632 34.6405 -21.1016 34.6405 70.2445 GPRESSAVG: 2518200 -1.27864 25.5988 -19.0912 23.4814 -38.2983 36.1189 -22.6798 32.4746 71.1112 TIMING: 2518200 CPU: 7297.56, 0.00290355/step Wall: 7297.56, 0.00290355/step, 2.00168 hours remaining, 209.761719 MB of memory in use. ENERGY: 2518200 742.3735 2056.2891 1954.5458 110.9500 -205506.8629 17515.5943 0.0000 0.0000 34040.2809 -149086.8293 297.2822 -183127.1102 -148990.6994 299.7253 -104.0777 -73.6772 557452.7364 10.5338 10.5114 PRESSURE: 2518400 -52.9922 12.9965 208.966 12.9961 -17.0141 -130.669 208.966 -130.669 -189.615 GPRESSURE: 2518400 56.9035 49.0583 127.569 -13.4449 14.4201 -136.69 275.809 -125.976 -223.518 PRESSAVG: 2518400 -16.444 24.0571 -20.7255 24.0571 11.3116 -46.3013 -20.7255 -46.3013 24.2536 GPRESSAVG: 2518400 -14.6501 25.6897 -21.9769 21.7126 10.3847 -46.4149 -18.2152 -46.2552 23.3031 TIMING: 2518400 CPU: 7298.14, 0.00287907/step Wall: 7298.14, 0.00287907/step, 1.98464 hours remaining, 209.761719 MB of memory in use. ENERGY: 2518400 760.0546 1996.5409 1951.9120 113.2360 -205683.7950 17707.6763 0.0000 0.0000 34031.2375 -149123.1376 297.2033 -183154.3751 -149024.5328 299.4005 -86.5404 -50.7314 558256.0949 6.3737 6.3459 PRESSURE: 2518600 -144.137 184.4 1.43126 184.401 -167.301 86.7262 1.43085 86.7271 107.443 GPRESSURE: 2518600 -89.3023 139.155 54.1047 194.206 -138.652 184.858 -15.1801 63.4144 118.897 PRESSAVG: 2518600 -57.7303 13.621 -22.9003 13.6209 29.6974 -4.85467 -22.9003 -4.85458 52.0356 GPRESSAVG: 2518600 -59.2699 12.9482 -25.6237 16.7464 30.3022 -5.48981 -23.5605 -3.82189 52.3337 TIMING: 2518600 CPU: 7298.72, 0.00288957/step Wall: 7298.72, 0.00288957/step, 1.99171 hours remaining, 209.761719 MB of memory in use. ENERGY: 2518600 756.6053 2032.2235 1941.6358 97.5716 -205980.8184 17759.9181 0.0000 0.0000 34200.0620 -149192.8020 298.6776 -183392.8640 -149100.9579 299.2991 -67.9983 -36.3522 557362.0409 8.0009 7.7887 PRESSURE: 2518800 -97.3261 64.9145 28.046 64.914 17.5184 18.5107 28.0453 18.5114 -172.588 GPRESSURE: 2518800 -62.0487 93.1389 123.064 36.3837 42.9747 14.3884 16.735 20.3273 -139.759 PRESSAVG: 2518800 54.5438 45.1855 14.9204 45.1855 -72.6934 26.4432 14.9204 26.4431 9.63048 GPRESSAVG: 2518800 55.5508 43.3688 18.0375 46.067 -72.2869 25.6649 14.3386 26.5992 8.38764 TIMING: 2518800 CPU: 7299.3, 0.0029149/step Wall: 7299.3, 0.0029149/step, 2.00902 hours remaining, 209.761719 MB of memory in use. ENERGY: 2518800 759.2982 2061.3269 1968.5564 124.9754 -206147.7552 17821.9730 0.0000 0.0000 34238.4631 -149173.1623 299.0130 -183411.6254 -149073.0603 299.4572 -84.1320 -52.9442 556951.1912 -2.8397 -2.7828 PRESSURE: 2519000 -105.662 -48.6794 141.498 -48.6779 28.9853 -76.5484 141.497 -76.5496 -240.796 GPRESSURE: 2519000 -81.0629 -37.3592 23.5639 2.0829 64.941 -192.175 213.491 -96.4186 -202.81 PRESSAVG: 2519000 33.1708 -41.617 37.5946 -41.6169 -49.1404 -0.938703 37.5944 -0.93872 -30.0864 GPRESSAVG: 2519000 31.6265 -39.854 38.824 -42.4708 -48.7685 -1.38706 37.401 -2.04076 -28.3498 TIMING: 2519000 CPU: 7299.88, 0.00290172/step Wall: 7299.88, 0.00290172/step, 1.99977 hours remaining, 209.761719 MB of memory in use. ENERGY: 2519000 755.1217 2056.0449 1941.9965 106.6135 -206235.9337 17705.5675 0.0000 0.0000 34380.3124 -149290.2773 300.2518 -183670.5897 -149198.2653 299.3075 -105.8246 -72.9773 555857.4231 -15.3520 -15.1639 PRESSURE: 2519200 -100.128 17.2719 32.685 17.2724 -4.61735 194.7 32.6858 194.7 -175.814 GPRESSURE: 2519200 -33.3323 -39.8501 -15.2216 5.8251 36.6136 148.281 122.494 260.417 -179.933 PRESSAVG: 2519200 85.8544 -10.3502 27.9067 -10.3502 -3.47688 9.97644 27.9068 9.97639 -31.5409 GPRESSAVG: 2519200 86.4549 -9.68053 27.9076 -10.6071 -3.67504 10.9933 27.4655 10.2781 -31.7612 TIMING: 2519200 CPU: 7300.46, 0.00290846/step Wall: 7300.46, 0.00290846/step, 2.00425 hours remaining, 209.761719 MB of memory in use. ENERGY: 2519200 694.0611 2026.2489 1922.7415 115.8106 -205932.9076 17592.9651 0.0000 0.0000 34255.2851 -149325.7951 299.1599 -183581.0802 -149228.6302 298.6896 -93.5197 -58.8840 558367.7544 16.9455 17.0062 PRESSURE: 2519400 25.2353 24.0006 -5.66297 24.0009 -313.881 -5.67286 -5.66338 -5.67318 -206.29 GPRESSURE: 2519400 12.34 -34.6377 -17.9697 128.468 -232.759 27.5986 135.536 27.3466 -175.563 PRESSAVG: 2519400 49.8175 -25.4984 14.8752 -25.4984 -87.2797 24.446 14.8753 24.446 25.7609 GPRESSAVG: 2519400 50.1284 -27.415 11.1924 -26.9231 -86.2588 23.3452 16.0925 25.0093 24.7429 TIMING: 2519400 CPU: 7301.04, 0.0029113/step Wall: 7301.04, 0.0029113/step, 2.00605 hours remaining, 209.761719 MB of memory in use. ENERGY: 2519400 762.2582 2117.3084 1940.1866 109.2740 -205550.2153 17435.9895 0.0000 0.0000 34267.3033 -148917.8952 299.2649 -183185.1985 -148821.6540 299.0043 -164.9787 -131.9940 558276.6391 -3.9004 -3.7958 PRESSURE: 2519600 -201.205 129.407 2.06421 129.408 90.8372 -44.6953 2.06447 -44.6968 3.17656 GPRESSURE: 2519600 -112.983 140.397 -66.5524 128.086 83.4058 -25.4375 38.3173 -71.0652 26.3525 PRESSAVG: 2519600 18.5357 30.9041 -23.1607 30.9041 6.35489 -10.6259 -23.1606 -10.6259 -15.1204 GPRESSAVG: 2519600 19.3486 32.5763 -19.1604 31.8423 5.19616 -8.81237 -25.2728 -10.6253 -15.0189 TIMING: 2519600 CPU: 7301.63, 0.00290426/step Wall: 7301.63, 0.00290426/step, 2.00103 hours remaining, 209.761719 MB of memory in use. ENERGY: 2519600 795.8024 2148.6894 1959.7546 102.5943 -205854.7215 17750.2204 0.0000 0.0000 34214.5226 -148883.1379 298.8039 -183097.6604 -148785.2058 300.1678 -35.7303 -1.0748 558888.4425 3.2567 3.1753 PRESSURE: 2519800 30.3185 94.9378 107.888 94.9371 -0.245002 -22.1857 107.888 -22.1854 144.065 GPRESSURE: 2519800 23.606 77.9941 35.5779 81.2203 23.6103 -42.8967 84.691 -45.8543 228.034 PRESSAVG: 2519800 -37.4105 -23.3613 -21.7514 -23.3613 10.4892 -33.9425 -21.7514 -33.9424 -3.845 GPRESSAVG: 2519800 -37.03 -24.8266 -23.2897 -21.9759 10.6466 -35.7142 -21.0936 -33.2821 -4.25616 TIMING: 2519800 CPU: 7302.21, 0.00290013/step Wall: 7302.21, 0.00290012/step, 1.99802 hours remaining, 209.761719 MB of memory in use. ENERGY: 2519800 742.1420 2130.8330 1947.9598 114.0512 -206061.7070 17899.4455 0.0000 0.0000 34317.6486 -148909.6270 299.7046 -183227.2755 -148808.4383 299.5090 58.0461 91.7499 559453.5193 -10.2554 -10.2132 PRESSURE: 2520000 -49.32 50.2161 -118.894 50.2156 -297.733 -53.7531 -118.894 -53.7527 -170.68 GPRESSURE: 2520000 24.1981 135.322 -127.58 -45.1344 -285.928 -58.8931 -73.7343 -15.0684 -159.301 PRESSAVG: 2520000 -34.6056 18.8428 20.9286 18.8428 21.3462 -24.2491 20.9285 -24.2491 12.3903 GPRESSAVG: 2520000 -35.4554 20.0622 21.1801 17.0713 21.7706 -23.9662 22.2053 -23.5236 12.0765 TIMING: 2520000 CPU: 7302.79, 0.00290217/step Wall: 7302.79, 0.00290217/step, 1.99927 hours remaining, 209.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2520000 795.7288 2066.9790 1970.6970 129.8761 -205957.0290 17742.3288 0.0000 0.0000 34092.7639 -149158.6555 297.7406 -183251.4194 -149062.4633 299.2532 -172.5774 -140.3437 558300.9539 -0.2897 -0.5361 PRESSURE: 2520200 -181.869 -157.239 121.844 -157.239 -33.553 49.1405 121.844 49.1413 -133.947 GPRESSURE: 2520200 -155.082 -85.5699 175.034 -125.579 25.3082 49.7588 140.825 57.6969 -108.575 PRESSAVG: 2520200 52.3674 14.9141 2.82168 14.9141 16.0644 25.4651 2.82153 25.4651 -30.8047 GPRESSAVG: 2520200 51.5073 14.1571 1.45439 15.4418 17.0219 28.044 4.08305 22.5986 -30.8036 TIMING: 2520200 CPU: 7303.37, 0.00289959/step Wall: 7303.37, 0.00289959/step, 1.99734 hours remaining, 209.761719 MB of memory in use. ENERGY: 2520200 758.2163 2123.2030 1952.4884 123.3941 -205837.5344 17541.8968 0.0000 0.0000 34164.2959 -149174.0397 298.3653 -183338.3356 -149068.8478 298.3731 -116.4561 -79.4496 557689.3496 12.5424 12.5752 LDB: ============= START OF LOAD BALANCING ============== 7306.75 LDB: ============== END OF LOAD BALANCING =============== 7306.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7306.75 LDB: ============= START OF LOAD BALANCING ============== 7307.04 LDB: Largest compute 4800 load 0.021232 is 18.0% of average load 0.117863 LDB: Average compute 0.001746 is 1.5% of average load 0.117863 LDB: TIME 7307.04 LOAD: AVG 0.117863 MAX 0.179047 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.008 MB LDB: TIME 7307.04 LOAD: AVG 0.117863 MAX 0.179047 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: TIME 7307.04 LOAD: AVG 0.117863 MAX 0.179047 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7307.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7307.05 PRESSURE: 2520400 130.043 24.0228 -146.32 24.0235 208.322 -226.048 -146.321 -226.047 86.3426 GPRESSURE: 2520400 167.324 -2.95051 -147.838 -61.718 283.53 -77.9906 -70.5443 -290.855 74.2207 PRESSAVG: 2520400 -4.48329 -33.4225 -12.6039 -33.4225 36.3854 -42.9159 -12.604 -42.916 -39.7989 GPRESSAVG: 2520400 -3.43691 -34.0318 -10.311 -32.4639 34.4448 -43.4095 -16.4902 -42.1626 -39.3351 TIMING: 2520400 CPU: 7303.95, 0.00293661/step Wall: 7303.95, 0.00293661/step, 2.02267 hours remaining, 207.605469 MB of memory in use. ENERGY: 2520400 720.2412 2116.8075 1944.1217 112.3963 -206483.1073 18192.1670 0.0000 0.0000 34217.3877 -149179.9859 298.8290 -183397.3736 -149081.0918 299.3373 141.5693 175.0251 558836.9571 -2.6323 -2.7757 PRESSURE: 2520600 -34.9634 -188.902 103.922 -188.901 -19.3076 10.8828 103.922 10.8813 -294.883 GPRESSURE: 2520600 -41.8264 -143.258 118.403 -215.939 -16.9026 143.159 115.199 -40.6086 -202.876 PRESSAVG: 2520600 65.1992 -18.0965 -0.068718 -18.0964 -34.5183 -49.5438 -0.0686767 -49.5438 -2.00559 GPRESSAVG: 2520600 65.4348 -16.2944 -2.20594 -21.6821 -34.1691 -48.9228 1.64002 -49.7003 -2.81757 TIMING: 2520600 CPU: 7304.53, 0.00289526/step Wall: 7304.53, 0.00289526/step, 1.99403 hours remaining, 207.808594 MB of memory in use. ENERGY: 2520600 747.0505 2152.3655 1957.7208 109.5672 -206430.6524 17705.1479 0.0000 0.0000 34477.1228 -149281.6779 301.0973 -183758.8006 -149182.3652 298.8827 -116.3848 -87.2018 559556.8624 9.5584 9.4827 PRESSURE: 2520800 -78.8939 46.2208 61.522 46.2212 127.942 -15.0868 61.5208 -15.0877 -198.622 GPRESSURE: 2520800 -31.1183 -5.43557 58.5009 48.1983 117.419 28.7192 51.7518 -89.364 -137.751 PRESSAVG: 2520800 -28.7334 -10.3575 11.7982 -10.3575 25.5064 -77.962 11.7981 -77.962 2.69872 GPRESSAVG: 2520800 -28.5143 -11.1521 13.3846 -6.54465 25.0766 -79.0852 8.85132 -79.0018 3.05472 TIMING: 2520800 CPU: 7305.11, 0.00290922/step Wall: 7305.11, 0.00290922/step, 2.00348 hours remaining, 207.808594 MB of memory in use. ENERGY: 2520800 773.6197 2128.8565 1948.4637 115.3331 -206319.7340 17987.4761 0.0000 0.0000 34309.0071 -149056.9779 299.6291 -183365.9849 -148961.8884 299.1143 -49.8579 -17.1502 561380.8775 -0.1761 -0.1276 PRESSURE: 2521000 190.1 43.2375 114.654 43.2368 294.745 -64.8989 114.654 -64.8986 256.359 GPRESSURE: 2521000 234.838 94.3328 31.0005 50.6025 325.798 -21.6174 140.929 -45.2362 289.344 PRESSAVG: 2521000 -36.4128 58.1615 -28.0095 58.1615 12.2915 0.215822 -28.0096 0.215798 -15.6239 GPRESSAVG: 2521000 -36.6569 58.439 -31.425 56.0733 12.1731 1.47251 -23.327 2.53748 -15.4724 TIMING: 2521000 CPU: 7305.69, 0.00289886/step Wall: 7305.69, 0.00289886/step, 1.99619 hours remaining, 207.808594 MB of memory in use. ENERGY: 2521000 764.3854 2066.3779 1964.7280 107.7783 -206805.8033 18253.2351 0.0000 0.0000 34582.2141 -149067.0845 302.0151 -183649.2986 -148969.2509 299.8230 247.0678 283.3265 557175.8507 -13.2484 -13.3187 PRESSURE: 2521200 -555.281 -83.6604 -131.36 -83.6604 -129.569 -90.8194 -131.359 -90.8204 -175.956 GPRESSURE: 2521200 -479.434 -106.044 -152.016 -57.7874 -148.913 -102.207 -106.557 -133.263 -135.802 PRESSAVG: 2521200 -60.4776 -57.8802 24.322 -57.8801 49.8318 -33.8147 24.322 -33.8147 56.0623 GPRESSAVG: 2521200 -60.6236 -59.4197 27.0696 -56.6851 49.704 -35.5009 22.608 -34.6662 56.379 TIMING: 2521200 CPU: 7306.28, 0.00290861/step Wall: 7306.28, 0.00290861/step, 2.00274 hours remaining, 207.808594 MB of memory in use. ENERGY: 2521200 733.3845 2191.4480 1966.2730 119.4812 -205556.6907 17193.7119 0.0000 0.0000 34242.2753 -149110.1168 299.0463 -183352.3921 -149017.2199 299.8259 -286.9350 -254.7164 558759.6921 15.1388 15.1532 PRESSURE: 2521400 16.6817 -243.097 -19.6844 -243.097 -300.566 63.8288 -19.684 63.8293 -210.366 GPRESSURE: 2521400 19.8102 -126.186 -53.2947 -251.631 -271.324 -0.892952 30.896 40.4422 -137.061 PRESSAVG: 2521400 -51.0182 -38.4666 -1.56963 -38.4665 33.8501 -28.9489 -1.56972 -28.949 13.5547 GPRESSAVG: 2521400 -51.9269 -40.0342 -4.46884 -36.8041 33.8354 -29.4343 -0.78931 -28.5885 14.3273 TIMING: 2521400 CPU: 7306.85, 0.0028956/step Wall: 7306.85, 0.0028956/step, 1.99362 hours remaining, 207.808594 MB of memory in use. ENERGY: 2521400 781.1991 2056.5578 1917.2857 106.9374 -205665.6838 17418.5605 0.0000 0.0000 34412.5277 -148972.6156 300.5332 -183385.1433 -148875.0051 300.6778 -164.7500 -129.5248 556150.2252 -1.2045 -1.2547 PRESSURE: 2521600 -146.568 -106.708 79.6414 -106.708 -324.204 -53.5502 79.6417 -53.5501 -218.131 GPRESSURE: 2521600 -131.856 -32.7433 105.027 -121.751 -251.643 9.32548 33.7532 -155.357 -194.02 PRESSAVG: 2521600 2.63611 -80.8571 -23.2299 -80.8572 26.3151 -6.0934 -23.23 -6.09336 -36.373 GPRESSAVG: 2521600 2.71054 -78.192 -21.6735 -80.5392 26.9315 -3.83262 -25.0069 -4.91925 -37.217 TIMING: 2521600 CPU: 7307.44, 0.00290977/step Wall: 7307.44, 0.00290977/step, 2.00321 hours remaining, 207.808594 MB of memory in use. ENERGY: 2521600 748.9532 2086.6623 1941.3097 115.6691 -205548.4249 17309.6453 0.0000 0.0000 34134.7355 -149211.4499 298.1071 -183346.1853 -149115.3570 299.6135 -229.6342 -192.5061 557169.3896 -2.4739 -2.5250 PRESSURE: 2521800 -143.98 121.72 99.9458 121.719 -47.3964 -106.248 99.9448 -106.247 177.665 GPRESSURE: 2521800 -160.62 126.713 98.4388 22.5224 46.0147 -141.43 121.855 -84.0941 202.113 PRESSAVG: 2521800 -2.63361 -34.9011 -1.26109 -34.9011 32.7718 -50.8983 -1.26098 -50.8982 -2.30834 GPRESSAVG: 2521800 -4.28177 -34.9526 -1.94908 -36.8068 34.7188 -53.9422 -0.53517 -51.1098 -2.57548 TIMING: 2521800 CPU: 7308.02, 0.00289786/step Wall: 7308.02, 0.00289786/step, 1.99485 hours remaining, 207.808594 MB of memory in use. ENERGY: 2521800 757.6533 2037.7822 1939.7758 122.3890 -206108.5412 17786.5130 0.0000 0.0000 34232.8193 -149231.6086 298.9637 -183464.4279 -149140.3256 299.6085 -4.5703 29.1693 555469.5365 9.2766 9.2872 PRESSURE: 2522000 -120.062 -71.8116 2.60565 -71.8134 -122.959 1.97462 2.60513 1.97414 -66.3477 GPRESSURE: 2522000 -105.857 -65.449 31.5168 -154.79 -70.709 35.7972 66.3621 -14.9904 -31.242 PRESSAVG: 2522000 48.1703 18.0653 -5.25289 18.0653 -55.6105 -15.5695 -5.25276 -15.5696 16.4805 GPRESSAVG: 2522000 48.8353 15.723 -7.32165 20.7549 -56.5646 -14.0696 -3.5191 -17.0024 16.8988 TIMING: 2522000 CPU: 7308.6, 0.00291216/step Wall: 7308.6, 0.00291216/step, 2.00454 hours remaining, 207.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2522000 795.3895 2086.9943 1949.3963 111.0068 -206442.5780 17865.2104 0.0000 0.0000 34402.9513 -149231.6293 300.4495 -183634.5806 -149132.1125 299.1008 -103.1228 -69.2693 557136.5904 3.0134 3.0565 PRESSURE: 2522200 120.085 94.9974 -3.98891 94.9981 54.2194 32.1276 -3.98915 32.1298 -7.14338 GPRESSURE: 2522200 164.237 101.085 -11.7469 73.2315 55.4164 24.5514 20.4406 129.384 50.293 PRESSAVG: 2522200 24.5652 44.084 60.1867 44.084 -28.6246 -18.4294 60.1867 -18.4293 -48.8581 GPRESSAVG: 2522200 25.3353 46.6886 62.1603 41.4561 -28.9019 -19.644 59.0336 -15.1894 -49.1149 TIMING: 2522200 CPU: 7309.18, 0.00292619/step Wall: 7309.18, 0.00292619/step, 2.01403 hours remaining, 208.007812 MB of memory in use. ENERGY: 2522200 733.5432 2169.7819 1953.2712 118.3473 -206441.4158 17945.2930 0.0000 0.0000 34343.4818 -149177.6974 299.9302 -183521.1792 -149080.7271 299.0021 55.7203 89.9822 556154.4598 -17.6392 -17.5605 PRESSURE: 2522400 -286.481 -15.3736 42.7348 -15.3732 -220.404 66.38 42.7355 66.3812 14.2519 GPRESSURE: 2522400 -243.946 -18.6304 40.5193 63.9824 -219.585 127.421 -37.6996 47.865 80.8196 PRESSAVG: 2522400 45.1617 54.3505 28.4848 54.3505 -53.7558 13.269 28.4848 13.269 16.2865 GPRESSAVG: 2522400 45.143 52.9243 27.0087 56.6532 -53.9347 15.1908 29.6244 10.3689 16.7158 TIMING: 2522400 CPU: 7309.76, 0.00289047/step Wall: 7309.76, 0.00289047/step, 1.98928 hours remaining, 208.007812 MB of memory in use. ENERGY: 2522400 786.8334 2118.2623 1971.5786 119.8186 -206376.2888 17774.6964 0.0000 0.0000 34372.1362 -149232.9633 300.1804 -183605.0995 -149132.4607 299.9039 -164.2111 -127.5706 559103.7502 2.5642 2.6414 PRESSURE: 2522600 173.799 111.334 120.489 111.333 50.5755 -76.3309 120.488 -76.3301 15.5502 GPRESSURE: 2522600 230.314 72.8173 108.58 113.904 46.1544 -54.3835 90.1592 -79.0912 55.3343 PRESSAVG: 2522600 -18.6155 10.6691 14.9956 10.6691 -6.6298 53.9668 14.9955 53.9668 7.61751 GPRESSAVG: 2522600 -17.7162 9.43352 17.1003 10.278 -6.88986 52.9282 12.8648 54.2646 6.6586 TIMING: 2522600 CPU: 7310.35, 0.00292849/step Wall: 7310.35, 0.00292849/step, 2.01529 hours remaining, 208.007812 MB of memory in use. ENERGY: 2522600 728.9238 2197.1524 1942.1990 110.7909 -206153.2907 17975.7122 0.0000 0.0000 34049.6419 -149148.8705 297.3640 -183198.5125 -149053.6542 299.5187 79.9751 110.6010 557816.7535 -5.8759 -5.9825 PRESSURE: 2522800 111.836 -107.172 31.1404 -107.172 -27.1276 -20.0954 31.1401 -20.0952 43.0891 GPRESSURE: 2522800 66.0671 -25.095 133.897 -123.807 41.6709 -50.5854 37.5252 -88.5419 115.041 PRESSAVG: 2522800 -3.29528 73.0789 20.579 73.0789 -12.551 -28.9433 20.5789 -28.9434 9.3807 GPRESSAVG: 2522800 -4.64936 73.7178 20.4489 73.7899 -11.7527 -28.5634 21.0056 -28.5335 9.69317 TIMING: 2522800 CPU: 7310.93, 0.00289396/step Wall: 7310.93, 0.00289396/step, 1.99136 hours remaining, 208.007812 MB of memory in use. ENERGY: 2522800 762.7166 2136.6315 1964.5053 103.2370 -206449.7195 17926.8934 0.0000 0.0000 34458.1433 -149097.5925 300.9315 -183555.7359 -148999.5326 300.0395 42.5992 74.2595 558260.4951 -2.1552 -2.2363 PRESSURE: 2523000 -8.84425 199.485 120.901 199.486 -24.7675 -52.9251 120.9 -52.9237 66.0126 GPRESSURE: 2523000 64.4995 105.508 139.007 152.767 -17.0663 -56.6063 124.207 -36.3514 74.0101 PRESSAVG: 2523000 -61.612 5.35546 -55.3592 5.35542 61.1284 -8.95351 -55.3591 -8.95349 -17.2317 GPRESSAVG: 2523000 -60.1321 6.62774 -56.1835 3.69412 59.927 -9.104 -56.2428 -9.84465 -17.5417 TIMING: 2523000 CPU: 7311.5, 0.00288419/step Wall: 7311.5, 0.00288419/step, 1.98448 hours remaining, 208.007812 MB of memory in use. ENERGY: 2523000 728.5878 2122.5510 1973.8664 112.4152 -206321.4579 17902.0694 0.0000 0.0000 34335.6902 -149146.2779 299.8621 -183481.9681 -149046.0381 300.0335 10.8003 40.4811 557749.1170 -5.9051 -5.9156 PRESSURE: 2523200 -164.32 7.37898 -48.383 7.37835 -75.7268 32.4121 -48.3824 32.4143 -324.222 GPRESSURE: 2523200 -169.704 68.7404 22.6599 27.1798 -53.9883 35.1172 -49.4565 -50.7191 -245.264 PRESSAVG: 2523200 62.8259 11.971 18.3715 11.9711 34.1109 -47.1339 18.3715 -47.1339 -66.5268 GPRESSAVG: 2523200 61.8109 10.8347 17.3185 14.1481 35.5582 -48.1204 19.8888 -46.7843 -66.7604 TIMING: 2523200 CPU: 7312.08, 0.00287953/step Wall: 7312.08, 0.00287953/step, 1.98112 hours remaining, 208.007812 MB of memory in use. ENERGY: 2523200 753.6800 2102.3486 1964.2890 113.8143 -205962.9255 17598.8746 0.0000 0.0000 34202.3862 -149227.5330 298.6979 -183429.9191 -149117.2268 299.3210 -188.0899 -156.3186 559929.7557 10.1367 10.2029 PRESSURE: 2523400 -230.698 -3.78882 -13.9457 -3.78858 4.74474 -18.3048 -13.9463 -18.3041 -48.4439 GPRESSURE: 2523400 -203.759 22.4779 -97.5627 -6.74872 69.4604 -122.829 20.1593 -91.8981 -36.3906 PRESSAVG: 2523400 -25.066 -17.5758 -31.593 -17.5758 -3.60025 3.24019 -31.5929 3.2402 13.8324 GPRESSAVG: 2523400 -25.4533 -16.2629 -32.7687 -19.9599 -3.94666 3.41235 -31.2158 2.0516 14.3457 TIMING: 2523400 CPU: 7312.66, 0.00288718/step Wall: 7312.66, 0.00288718/step, 1.98622 hours remaining, 208.007812 MB of memory in use. ENERGY: 2523400 728.1868 2047.9936 1984.2251 114.7025 -206438.2144 17996.4687 0.0000 0.0000 34283.4511 -149283.1865 299.4059 -183566.6376 -149188.4996 299.5557 -91.4657 -56.8965 560311.1375 -4.9446 -5.0181 PRESSURE: 2523600 -70.6998 63.191 -18.9834 63.1899 211.719 21.406 -18.9839 21.4052 150.915 GPRESSURE: 2523600 -28.5571 17.675 15.2659 119.042 171.557 2.95991 -72.7645 43.5695 237.389 PRESSAVG: 2523600 -39.6879 -10.7915 -8.16918 -10.7916 60.6751 -12.0163 -8.16909 -12.0164 -33.8342 GPRESSAVG: 2523600 -40.1955 -12.1051 -9.17071 -10.5938 60.0749 -12.1499 -6.3564 -10.0999 -33.2997 TIMING: 2523600 CPU: 7313.23, 0.00287462/step Wall: 7313.23, 0.00287462/step, 1.97742 hours remaining, 208.007812 MB of memory in use. ENERGY: 2523600 716.9383 2045.5613 1932.8129 110.9252 -206301.9116 17922.3662 0.0000 0.0000 34114.0729 -149459.2347 297.9267 -183573.3076 -149359.8216 299.1176 97.3114 126.7963 557402.3801 -4.2823 -4.4734 PRESSURE: 2523800 -101.395 -57.2155 227.54 -57.2146 -81.672 -21.6996 227.54 -21.6994 54.7235 GPRESSURE: 2523800 -78.2739 -3.52338 169.087 -64.5399 -66.2149 -44.8286 262.375 9.16605 105.4 PRESSAVG: 2523800 -41.6173 -10.7126 26.7959 -10.7126 39.7535 -49.4703 26.7958 -49.4702 -13.4837 GPRESSAVG: 2523800 -39.5286 -7.82425 29.3942 -11.3996 39.4736 -46.9741 24.017 -51.3742 -14.708 TIMING: 2523800 CPU: 7313.81, 0.00288948/step Wall: 7313.81, 0.00288948/step, 1.98748 hours remaining, 208.007812 MB of memory in use. ENERGY: 2523800 745.1061 2067.9258 1954.1452 116.1419 -206251.7196 17755.9014 0.0000 0.0000 34161.2840 -149451.2152 298.3390 -183612.4992 -149357.9982 298.5720 -42.7813 -13.0297 557092.8034 -5.1158 -4.9210 PRESSURE: 2524000 -102.915 -20.9658 44.6006 -20.9657 -55.903 102.003 44.6001 102.004 -35.5423 GPRESSURE: 2524000 -58.2939 -21.7694 85.4055 -44.0449 -61.4548 126.407 44.7548 99.1103 17.9628 PRESSAVG: 2524000 -7.96993 -34.8349 -0.431795 -34.8348 62.7002 -35.8364 -0.431748 -35.8365 17.5235 GPRESSAVG: 2524000 -7.73052 -36.256 -1.2859 -33.6546 61.7857 -36.3573 0.949235 -34.5401 17.8237 TIMING: 2524000 CPU: 7314.39, 0.00288142/step Wall: 7314.39, 0.00288142/step, 1.98178 hours remaining, 208.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2524000 767.4910 2064.8592 1948.9970 110.7747 -206403.9389 17854.9242 0.0000 0.0000 34228.7167 -149428.1761 298.9279 -183656.8928 -149325.2223 299.1623 -64.7866 -33.9286 558498.4286 24.0846 23.9596 PRESSURE: 2524200 -205.415 -136.352 88.8939 -136.352 48.7819 -15.5806 88.8942 -15.5834 -168.175 GPRESSURE: 2524200 -127.325 -226.114 87.2998 -100.019 14.1402 -86.5474 113.181 -29.398 -93.6146 PRESSAVG: 2524200 72.7066 -21.8235 22.755 -21.8234 -23.6978 -6.12686 22.7549 -6.12682 -18.3094 GPRESSAVG: 2524200 72.4104 -23.6514 20.878 -20.4901 -23.8393 -8.00758 21.9518 -5.53286 -18.2846 TIMING: 2524200 CPU: 7314.97, 0.00289831/step Wall: 7314.97, 0.00289831/step, 1.99323 hours remaining, 208.007812 MB of memory in use. ENERGY: 2524200 795.3513 2023.5523 1953.5657 106.5918 -206479.6440 17903.0044 0.0000 0.0000 34134.6956 -149562.8830 298.1068 -183697.5787 -149465.3241 298.9618 -108.2693 -68.9333 556945.8328 10.2331 10.0955 LDB: ============= START OF LOAD BALANCING ============== 7318.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7318.35 LDB: =============== DONE WITH MIGRATION ================ 7318.35 LDB: ============= START OF LOAD BALANCING ============== 7318.64 LDB: Largest compute 4800 load 0.022248 is 18.9% of average load 0.117893 LDB: Average compute 0.001751 is 1.5% of average load 0.117893 LDB: TIME 7318.64 LOAD: AVG 0.117893 MAX 0.179057 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.496 MB LDB: TIME 7318.64 LOAD: AVG 0.117893 MAX 0.179057 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.496 MB LDB: TIME 7318.64 LOAD: AVG 0.117893 MAX 0.179057 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7318.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7318.65 PRESSURE: 2524400 20.5545 36.2325 -129.754 36.2329 -203.756 -94.3025 -129.755 -94.303 -87.1802 GPRESSURE: 2524400 62.7608 63.7979 -129.038 0.266683 -152.328 -83.8396 -78.1605 -94.4212 -68.1746 PRESSAVG: 2524400 1.5518 -31.8754 2.58569 -31.8755 -21.3276 -36.3586 2.58576 -36.3584 15.8738 GPRESSAVG: 2524400 -0.0249383 -31.2138 5.52413 -32.3101 -20.4649 -35.6605 2.38879 -38.3071 16.3646 TIMING: 2524400 CPU: 7315.55, 0.00294783/step Wall: 7315.55, 0.00294783/step, 2.02712 hours remaining, 208.777344 MB of memory in use. ENERGY: 2524400 775.3024 2099.9268 1959.1316 103.5277 -206430.7236 17757.4512 0.0000 0.0000 34152.2794 -149583.1045 298.2604 -183735.3839 -149488.5791 298.4045 -90.1272 -52.5805 557275.6116 -1.3007 -1.3751 PRESSURE: 2524600 -336.18 -312.265 151.289 -312.264 -189.045 101.809 151.289 101.808 -87.7418 GPRESSURE: 2524600 -217.15 -347.248 124.02 -278.503 -177.469 111.39 165.338 83.3099 -118.257 PRESSAVG: 2524600 -27.6271 -25.9569 3.27452 -25.9568 -5.39758 -31.6059 3.27444 -31.6059 45.5679 GPRESSAVG: 2524600 -26.202 -26.0826 2.69394 -27.0453 -5.26908 -32.5514 2.84467 -28.1759 44.3666 TIMING: 2524600 CPU: 7316.13, 0.00287973/step Wall: 7316.13, 0.00287973/step, 1.98014 hours remaining, 208.847656 MB of memory in use. ENERGY: 2524600 786.7621 2116.2831 1928.3357 119.8317 -206452.5912 17573.7545 0.0000 0.0000 34428.2543 -149499.3698 300.6705 -183927.6241 -149399.4062 298.8348 -204.3223 -170.9584 554707.8042 4.1811 4.2985 PRESSURE: 2524800 59.067 116.34 51.1956 116.342 -189.505 -252.668 51.195 -252.668 -5.62696 GPRESSURE: 2524800 98.2134 140.607 89.0344 52.6007 -196.046 -271.995 -11.641 -280.626 48.6788 PRESSAVG: 2524800 2.18469 -11.3758 3.29038 -11.3759 -18.9224 -39.4089 3.29041 -39.4088 10.1991 GPRESSAVG: 2524800 1.56203 -10.1268 2.14038 -12.8907 -19.4994 -37.3047 5.44085 -42.477 11.8405 TIMING: 2524800 CPU: 7316.71, 0.0028941/step Wall: 7316.71, 0.0028941/step, 1.98986 hours remaining, 208.847656 MB of memory in use. ENERGY: 2524800 732.6009 2107.9312 1944.5045 111.7036 -205980.2243 17499.8595 0.0000 0.0000 34096.8237 -149486.8009 297.7760 -183583.6246 -149384.5601 299.1359 -45.3552 -16.3844 556359.7032 -2.1795 -2.0323 PRESSURE: 2525000 -298.557 -93.326 61.5537 -93.3261 89.705 48.9781 61.5524 48.9779 263.972 GPRESSURE: 2525000 -245.946 -143.899 68.1477 -20.0211 79.2824 1.28226 78.9413 112.124 325.103 PRESSAVG: 2525000 -47.66 -37.2163 -17.76 -37.2163 -3.00531 14.3631 -17.76 14.3632 32.4727 GPRESSAVG: 2525000 -47.6069 -40.5025 -18.6354 -33.692 -2.74573 12.4828 -17.5339 14.3167 31.4465 TIMING: 2525000 CPU: 7317.29, 0.00289549/step Wall: 7317.29, 0.00289549/step, 1.99065 hours remaining, 208.847656 MB of memory in use. ENERGY: 2525000 741.8683 2097.2851 1957.6785 113.7863 -206583.1905 17871.5583 0.0000 0.0000 34359.4429 -149441.5710 300.0696 -183801.0139 -149347.0879 298.5855 18.3733 52.8130 556124.5505 -6.0642 -6.3020 PRESSURE: 2525200 -50.4154 26.8609 -58.4561 26.8609 -46.2776 24.0837 -58.4547 24.0824 -91.2692 GPRESSURE: 2525200 -38.99 32.7523 33.1486 48.7559 19.7621 -36.1453 0.857848 141.283 -63.8197 PRESSAVG: 2525200 -93.0169 -34.579 46.4611 -34.579 44.3052 -28.2939 46.461 -28.2939 47.9583 GPRESSAVG: 2525200 -93.2142 -32.0317 49.5263 -37.9881 44.1745 -26.9951 44.5135 -28.3556 48.758 TIMING: 2525200 CPU: 7317.87, 0.00291235/step Wall: 7317.87, 0.00291235/step, 2.00208 hours remaining, 208.847656 MB of memory in use. ENERGY: 2525200 745.3095 2056.3378 1938.9830 121.4142 -206483.9877 17866.0472 0.0000 0.0000 34194.9735 -149560.9226 298.6332 -183755.8961 -149460.4623 298.9931 -62.6541 -27.6825 557314.0837 -0.2511 -0.0939 PRESSURE: 2525400 -117.729 98.5598 -51.1624 98.5595 -50.8386 7.23763 -51.161 7.23623 -294.858 GPRESSURE: 2525400 -78.6617 0.46948 -58.8587 151.423 23.5985 -32.4751 -14.7499 -1.81026 -317.662 PRESSAVG: 2525400 56.8653 17.4477 30.2026 17.4477 3.32528 37.5396 30.2025 37.5395 -45.3987 GPRESSAVG: 2525400 56.2776 15.5729 28.4728 18.3538 3.30402 37.4789 31.2801 38.028 -44.7796 TIMING: 2525400 CPU: 7318.45, 0.00289693/step Wall: 7318.45, 0.00289693/step, 1.99131 hours remaining, 208.847656 MB of memory in use. ENERGY: 2525400 735.0488 2092.0069 1943.7850 108.1553 -206433.2084 17720.6959 0.0000 0.0000 34234.5999 -149598.9167 298.9793 -183833.5166 -149507.5970 298.5922 -154.4750 -124.2418 558541.7278 4.9306 4.9340 PRESSURE: 2525600 -168.391 70.1614 -116.881 70.1605 -65.2169 47.2152 -116.882 47.2149 -136.464 GPRESSURE: 2525600 -147.141 40.4529 -129.725 45.2237 -3.76204 33.9023 -142.744 47.7968 -119.634 PRESSAVG: 2525600 67.4224 -15.1531 20.3181 -15.1529 -14.2992 55.3507 20.3181 55.3508 -38.5267 GPRESSAVG: 2525600 67.9062 -12.5992 20.448 -16.4592 -13.3911 54.045 20.9462 55.2669 -39.2741 TIMING: 2525600 CPU: 7319.03, 0.0029179/step Wall: 7319.03, 0.0029179/step, 2.00557 hours remaining, 208.847656 MB of memory in use. ENERGY: 2525600 711.1639 2055.7064 1938.6444 104.9048 -206228.5413 17487.3868 0.0000 0.0000 34155.9211 -149774.8139 298.2922 -183930.7350 -149676.1217 297.9998 -123.3573 -90.1790 556613.9406 4.8655 5.0803 PRESSURE: 2525800 63.8311 50.4307 -146.474 50.4313 -267.225 64.4472 -146.474 64.4458 30.2238 GPRESSURE: 2525800 118.344 106.966 -122.217 56.2166 -241.182 69.559 -121.207 53.9515 48.3143 PRESSAVG: 2525800 19.3812 -34.1594 -25.0733 -34.1594 -60.9192 54.0784 -25.0733 54.0784 3.55543 GPRESSAVG: 2525800 20.4744 -34.3526 -25.8973 -34.2154 -63.2613 54.73 -23.5312 53.4312 4.03049 TIMING: 2525800 CPU: 7319.62, 0.00290481/step Wall: 7319.62, 0.00290481/step, 1.99641 hours remaining, 209.050781 MB of memory in use. ENERGY: 2525800 746.4437 2054.6586 1929.9324 113.8554 -206420.4650 17660.4721 0.0000 0.0000 34061.8706 -149853.2323 297.4708 -183915.1029 -149752.9565 298.0523 -57.7233 -24.8412 555053.1743 -12.6609 -12.9188 PRESSURE: 2526000 -7.58313 -48.8245 -175.651 -48.8248 -337.381 214.327 -175.651 214.327 -126.643 GPRESSURE: 2526000 44.5332 -55.6158 -274.222 -66.4093 -317.588 192.827 -106.715 166.358 -98.9744 PRESSAVG: 2526000 6.81852 5.11675 -6.11005 5.1168 13.955 19.5179 -6.10999 19.518 -31.7288 GPRESSAVG: 2526000 5.44822 5.56621 -4.18214 4.7038 15.0322 18.6981 -9.33363 20.2544 -31.3957 TIMING: 2526000 CPU: 7320.2, 0.0029175/step Wall: 7320.2, 0.0029175/step, 2.00497 hours remaining, 209.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2526000 770.1035 2005.0250 1952.4119 118.4462 -206171.4949 17489.2989 0.0000 0.0000 34120.8032 -149715.4061 297.9855 -183836.2093 -149614.9326 297.7937 -157.2025 -124.0097 555992.6166 -3.6518 -3.6384 PRESSURE: 2526200 -226.781 -15.4806 -0.194077 -15.4811 -139.292 62.1987 -0.193523 62.1988 -346.823 GPRESSURE: 2526200 -201.667 -38.6595 22.7431 -50.1297 -124.366 -38.6192 -54.4258 32.1762 -299.858 PRESSAVG: 2526200 -27.8604 6.31144 43.3375 6.31144 17.5726 36.8409 43.3375 36.8409 24.932 GPRESSAVG: 2526200 -26.3764 5.63972 40.8502 9.04408 18.2902 36.5302 46.8582 37.1358 22.9018 TIMING: 2526200 CPU: 7320.78, 0.0029193/step Wall: 7320.78, 0.0029193/step, 2.00604 hours remaining, 209.050781 MB of memory in use. ENERGY: 2526200 763.2634 2012.8633 1961.1455 110.1919 -206194.6541 17423.3107 0.0000 0.0000 34338.5995 -149585.2798 299.8875 -183923.8793 -149489.9818 297.7149 -237.6319 -208.6304 556325.4629 4.8814 4.9385 PRESSURE: 2526400 5.25757 41.9941 21.7657 41.9934 155.102 132.459 21.7659 132.459 94.4824 GPRESSURE: 2526400 19.423 43.6642 56.427 91.6858 181.495 136.336 -44.0368 98.245 142.334 PRESSAVG: 2526400 19.2031 -42.157 4.11243 -42.157 -3.34018 37.489 4.11242 37.489 -65.2077 GPRESSAVG: 2526400 18.7463 -43.2511 5.65406 -43.7875 -3.42164 38.5254 4.40632 36.9105 -64.9521 TIMING: 2526400 CPU: 7321.36, 0.00291224/step Wall: 7321.36, 0.00291224/step, 2.00103 hours remaining, 209.050781 MB of memory in use. ENERGY: 2526400 747.7568 2053.8507 1930.3625 108.2058 -206446.1368 17866.4912 0.0000 0.0000 34167.2036 -149572.2663 298.3907 -183739.4699 -149473.7485 298.3653 84.9472 114.4175 556324.1544 -16.4483 -16.5425 PRESSURE: 2526600 163.853 46.7286 56.4312 46.7276 156.347 201.652 56.43 201.651 112.316 GPRESSURE: 2526600 205.022 49.9126 79.1499 15.305 174.698 178.561 40.9198 142.548 150.299 PRESSAVG: 2526600 2.6167 45.2034 -2.63423 45.2035 51.3263 -17.7876 -2.63422 -17.7876 -37.3102 GPRESSAVG: 2526600 2.00082 45.8527 -2.37182 47.0778 51.7253 -19.0998 -2.88724 -17.5733 -37.0799 TIMING: 2526600 CPU: 7321.94, 0.0028969/step Wall: 7321.94, 0.0028969/step, 1.99033 hours remaining, 209.050781 MB of memory in use. ENERGY: 2526600 727.7215 2086.4285 1924.7526 102.9051 -206889.3354 18202.2887 0.0000 0.0000 34198.1400 -149647.0989 298.6609 -183845.2389 -149549.1824 298.7134 144.1720 176.6731 555464.4754 5.5443 5.5488 PRESSURE: 2526800 16.7816 60.7795 1.97723 60.7792 -46.3577 47.4465 1.97706 47.4459 206.31 GPRESSURE: 2526800 50.7198 95.5084 -43.4329 37.0347 18.9125 -19.5149 -40.5211 115.28 206.986 PRESSAVG: 2526800 28.7341 17.8573 46.5287 17.8573 -1.84324 5.91724 46.5287 5.91726 -17.6846 GPRESSAVG: 2526800 28.5424 17.3185 45.8877 15.1609 -1.42057 5.85276 43.6773 7.21196 -18.0541 TIMING: 2526800 CPU: 7322.53, 0.00291457/step Wall: 7322.53, 0.00291457/step, 2.00231 hours remaining, 209.050781 MB of memory in use. ENERGY: 2526800 742.4008 2064.7671 1940.4501 104.7481 -206573.7110 17787.1966 0.0000 0.0000 34195.0819 -149739.0665 298.6342 -183934.1483 -149639.6442 299.0595 58.9113 92.2062 554535.7449 3.0688 3.0226 PRESSURE: 2527000 -169.486 -35.1782 299.044 -35.1782 78.3073 -239.255 299.045 -239.255 29.8079 GPRESSURE: 2527000 -160.957 0.559631 292.263 4.03562 153.543 -161.268 192.265 -202.552 40.522 PRESSAVG: 2527000 -18.2259 -48.5344 9.11318 -48.5345 -15.6782 -16.2795 9.11312 -16.2796 18.9873 GPRESSAVG: 2527000 -17.7393 -48.076 9.58457 -46.689 -16.7904 -12.4376 9.38025 -18.5565 19.5864 TIMING: 2527000 CPU: 7323.1, 0.00288832/step Wall: 7323.1, 0.00288832/step, 1.98411 hours remaining, 209.050781 MB of memory in use. ENERGY: 2527000 748.4962 2029.9500 1975.2974 130.7994 -206695.2500 17846.6574 0.0000 0.0000 34394.3199 -149569.7297 300.3741 -183964.0496 -149476.0521 298.6287 -20.4570 11.0360 554995.8749 -4.9723 -4.9811 PRESSURE: 2527200 114.18 -5.63363 -63.1121 -5.63254 -32.1719 63.4259 -63.1119 63.4237 -236.665 GPRESSURE: 2527200 142.326 3.44286 27.8174 -20.9216 10.0615 108.201 -66.9439 39.3092 -200.359 PRESSAVG: 2527200 -28.9829 12.1032 40.7021 12.1032 46.0757 -38.4079 40.7023 -38.4078 12.9336 GPRESSAVG: 2527200 -28.9336 11.9299 39.0647 12.8605 46.4782 -40.9097 42.7005 -37.7109 12.5367 TIMING: 2527200 CPU: 7323.68, 0.00285743/step Wall: 7323.68, 0.00285743/step, 1.96273 hours remaining, 209.050781 MB of memory in use. ENERGY: 2527200 743.2239 2096.9241 1945.1739 112.3840 -206824.8949 18043.6679 0.0000 0.0000 34270.5234 -149612.9976 299.2930 -183883.5210 -149512.3496 299.3747 -51.5523 -15.9904 557195.7520 10.0088 10.0271 PRESSURE: 2527400 -146.919 -70.6997 -85.6786 -70.7008 162.741 177.325 -85.6798 177.324 214.681 GPRESSURE: 2527400 -54.8303 -95.7048 -86.3256 -107.469 153.146 266.243 -56.48 38.4591 240.159 PRESSAVG: 2527400 -31.5123 27.0626 -6.03202 27.0626 14.08 -34.53 -6.03208 -34.5301 27.0768 GPRESSAVG: 2527400 -31.4158 27.8063 -4.42904 25.4452 14.3798 -35.4343 -8.27659 -34.0862 26.5076 TIMING: 2527400 CPU: 7324.25, 0.00285551/step Wall: 7324.25, 0.00285551/step, 1.96126 hours remaining, 209.050781 MB of memory in use. ENERGY: 2527400 757.5412 2021.7734 1995.9898 111.7735 -206959.5687 18190.2064 0.0000 0.0000 34240.6304 -149641.6539 299.0319 -183882.2843 -149551.6286 298.6687 76.8346 112.8249 556124.2673 3.2148 3.1572 PRESSURE: 2527600 2.84353 163.796 85.7995 163.797 112.358 -123.624 85.8001 -123.626 -117.584 GPRESSURE: 2527600 29.8529 236.228 56.0622 240.825 143.404 -176.001 76.9603 -19.4401 -81.9484 PRESSAVG: 2527600 -14.1791 42.2823 -11.0677 42.2823 21.9682 -12.7797 -11.0677 -12.7796 25.2648 GPRESSAVG: 2527600 -15.2522 42.6953 -10.3514 42.0513 23.3707 -12.0428 -10.899 -13.9411 25.0826 TIMING: 2527600 CPU: 7324.82, 0.00285696/step Wall: 7324.82, 0.00285696/step, 1.96209 hours remaining, 209.050781 MB of memory in use. ENERGY: 2527600 771.4786 2102.5143 1946.6532 110.1559 -206689.7805 18025.0112 0.0000 0.0000 34136.6788 -149597.2885 298.1241 -183733.9674 -149495.2733 298.5999 -0.7940 30.4361 556996.3767 11.0180 11.0671 PRESSURE: 2527800 -153.918 -35.8134 60.5435 -35.8141 -187.562 77.0972 60.5452 77.096 -184.998 GPRESSURE: 2527800 -114.237 -4.03658 77.6659 -54.2092 -206.527 70.3039 108.474 28.1983 -115.185 PRESSAVG: 2527800 21.883 25.4429 -33.6542 25.4429 -25.623 -43.5091 -33.6542 -43.5091 18.3333 GPRESSAVG: 2527800 21.4526 23.7396 -35.7281 26.4011 -26.3244 -43.0702 -31.8087 -44.0502 19.9369 TIMING: 2527800 CPU: 7325.39, 0.00284626/step Wall: 7325.39, 0.00284626/step, 1.95459 hours remaining, 209.050781 MB of memory in use. ENERGY: 2527800 818.4851 2131.1383 1947.0346 112.8614 -206475.4359 17705.1041 0.0000 0.0000 34050.3881 -149710.4244 297.3705 -183760.8125 -149613.4933 298.9893 -175.4930 -145.3162 555893.0514 4.8644 5.0217 PRESSURE: 2528000 -28.4563 -7.15967 -11.3466 -7.15984 -183.891 -15.7106 -11.3471 -15.7114 125.851 GPRESSURE: 2528000 9.99988 29.0735 -68.6157 -65.0914 -123.649 -76.562 -22.5132 24.2575 121.225 PRESSAVG: 2528000 19.334 -3.51564 4.14093 -3.51563 0.66122 -4.245 4.14098 -4.24492 4.15684 GPRESSAVG: 2528000 20.2578 -4.80614 3.79299 -5.30551 1.18721 -5.95355 4.05862 -1.83519 2.60648 TIMING: 2528000 CPU: 7325.96, 0.00286344/step Wall: 7325.96, 0.00286344/step, 1.96623 hours remaining, 209.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2528000 744.3174 2088.8872 1968.6447 126.2782 -206643.2759 17878.1377 0.0000 0.0000 34129.6129 -149707.3978 298.0624 -183837.0107 -149619.5798 298.7351 -28.8321 2.5252 557260.2591 8.0507 8.0172 PRESSURE: 2528200 1.77215 11.1934 -172.699 11.1937 -28.4733 60.9881 -172.699 60.9866 -10.8879 GPRESSURE: 2528200 -5.76849 14.8522 -178.262 -98.5273 5.11588 101.064 -151.475 93.5609 68.2251 PRESSAVG: 2528200 -0.481615 -5.33775 -35.0892 -5.33776 3.39585 5.71054 -35.0892 5.71053 -16.2441 GPRESSAVG: 2528200 0.136628 -1.46515 -34.1139 -5.17304 2.02704 6.86364 -36.5109 2.9165 -16.1556 TIMING: 2528200 CPU: 7326.54, 0.00288545/step Wall: 7326.54, 0.00288545/step, 1.98118 hours remaining, 209.050781 MB of memory in use. ENERGY: 2528200 730.4087 2029.2366 1961.5850 113.7259 -206155.8886 17746.6525 0.0000 0.0000 34068.6414 -149505.6384 297.5299 -183574.2798 -149411.1691 297.5192 -12.5297 22.5242 557414.7746 -4.4433 -4.6640 LDB: ============= START OF LOAD BALANCING ============== 7329.92 LDB: ============== END OF LOAD BALANCING =============== 7329.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7329.92 LDB: ============= START OF LOAD BALANCING ============== 7330.21 LDB: Largest compute 4800 load 0.022081 is 18.7% of average load 0.117948 LDB: Average compute 0.001752 is 1.5% of average load 0.117948 LDB: TIME 7330.22 LOAD: AVG 0.117948 MAX 0.177262 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.289 MB LDB: TIME 7330.22 LOAD: AVG 0.117948 MAX 0.177262 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.309 MB LDB: TIME 7330.22 LOAD: AVG 0.117948 MAX 0.177262 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7330.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7330.22 PRESSURE: 2528400 163.609 -33.0786 -148.572 -33.078 44.9316 -10.1967 -148.571 -10.1967 66.4226 GPRESSURE: 2528400 157.194 -84.1543 -1.06452 -16.5522 114.938 -45.5005 -251.316 65.0376 93.6333 PRESSAVG: 2528400 29.2664 -57.6095 -13.6112 -57.6095 -34.0974 8.05236 -13.6113 8.05244 25.1968 GPRESSAVG: 2528400 27.8343 -59.1594 -13.081 -56.4725 -32.2554 8.44571 -15.095 7.53471 25.3024 TIMING: 2528400 CPU: 7327.13, 0.0029483/step Wall: 7327.13, 0.0029483/step, 2.02417 hours remaining, 210.367188 MB of memory in use. ENERGY: 2528400 761.7622 2088.9322 1940.0691 110.6688 -206048.3859 17855.2817 0.0000 0.0000 34181.8930 -149109.7790 298.5190 -183291.6720 -149018.6259 299.0704 91.6545 121.9220 556264.1817 6.7886 6.9604 PRESSURE: 2528600 150.417 22.7203 101.345 22.7186 -76.3511 -81.4778 101.345 -81.4782 -96.4737 GPRESSURE: 2528600 148.816 -0.700964 51.8715 45.7831 -34.9841 -149.352 80.0295 -35.9209 -36.8648 PRESSAVG: 2528600 3.96785 -91.3609 -28.9002 -91.3608 24.028 22.2212 -28.9003 22.2212 -20.0849 GPRESSAVG: 2528600 4.71611 -91.6577 -29.7401 -91.7449 23.2499 19.9011 -28.5662 24.811 -20.3636 TIMING: 2528600 CPU: 7327.71, 0.00290281/step Wall: 7327.71, 0.00290281/step, 1.99278 hours remaining, 210.511719 MB of memory in use. ENERGY: 2528600 774.0464 2076.2389 1917.6968 103.3680 -206267.2498 17927.4216 0.0000 0.0000 34258.1282 -149210.3498 299.1848 -183468.4781 -149103.3802 299.8240 -7.4694 25.6557 558118.8423 2.6370 2.5341 PRESSURE: 2528800 -2.31934 -170.336 112.565 -170.336 -179.549 -90.3629 112.565 -90.3623 -154.079 GPRESSURE: 2528800 77.3389 -116.883 135.308 -174.42 -170.708 -87.1559 96.2328 -72.26 -147.827 PRESSAVG: 2528800 -3.70894 -48.3107 -53.9245 -48.3106 0.9926 -18.7731 -53.9245 -18.773 -14.8675 GPRESSAVG: 2528800 -3.84206 -48.6618 -53.7769 -48.3447 0.125377 -16.4886 -52.201 -19.8374 -13.8091 TIMING: 2528800 CPU: 7328.3, 0.00295173/step Wall: 7328.3, 0.00295173/step, 2.0262 hours remaining, 210.511719 MB of memory in use. ENERGY: 2528800 730.2545 2119.2946 1954.5232 118.1814 -206007.8101 17626.9343 0.0000 0.0000 34175.9371 -149282.6849 298.4670 -183458.6220 -149184.5871 299.5419 -111.9825 -80.3988 558592.3476 -5.8613 -5.8419 PRESSURE: 2529000 -237.074 -195.683 185.303 -195.683 -133.161 86.5953 185.304 86.5965 -38.9671 GPRESSURE: 2529000 -217.366 -121.743 290.356 -151.061 -86.0904 85.0506 202.695 86.8784 -20.2573 PRESSAVG: 2529000 -36.0479 -63.0928 25.239 -63.0928 23.0997 37.9078 25.2389 37.9077 18.7673 GPRESSAVG: 2529000 -35.5885 -65.1517 26.0719 -62.724 25.2294 36.1104 26.6218 38.314 16.5444 TIMING: 2529000 CPU: 7328.88, 0.00291044/step Wall: 7328.88, 0.00291044/step, 1.99769 hours remaining, 210.511719 MB of memory in use. ENERGY: 2529000 758.7657 2090.7020 1946.1584 103.9807 -205908.7122 17473.8131 0.0000 0.0000 34197.9389 -149337.3534 298.6591 -183535.2923 -149237.2630 299.3176 -136.4008 -107.9045 556305.7450 1.9397 2.0618 PRESSURE: 2529200 27.3031 -90.7532 57.0195 -90.7533 -206.832 8.09548 57.0209 8.09515 -31.4193 GPRESSURE: 2529200 48.2896 -110.14 35.2457 -97.221 -173.873 16.1404 58.0193 39.3542 2.25961 PRESSAVG: 2529200 -41.7855 -25.802 72.7664 -25.8021 65.2122 -63.411 72.7664 -63.411 17.9627 GPRESSAVG: 2529200 -40.9766 -24.1999 69.7198 -26.2466 63.7545 -60.9656 73.1343 -61.9048 19.0643 TIMING: 2529200 CPU: 7329.46, 0.00288045/step Wall: 7329.46, 0.00288045/step, 1.97695 hours remaining, 210.570312 MB of memory in use. ENERGY: 2529200 768.7875 2084.1406 1969.4181 113.2307 -205977.1794 17632.3057 0.0000 0.0000 34168.3042 -149240.9927 298.4003 -183409.2968 -149152.0378 299.4074 -70.3161 -41.1079 556596.3760 13.7964 13.9474 PRESSURE: 2529400 -232.322 106.899 82.7364 106.9 11.1751 -215.681 82.7366 -215.68 -143.834 GPRESSURE: 2529400 -195.831 34.4778 74.7772 96.0036 33.1853 -81.6278 28.9708 -310.217 -117.804 PRESSAVG: 2529400 8.5938 -22.1979 -24.8468 -22.1977 8.77676 -54.2694 -24.8467 -54.2694 29.552 GPRESSAVG: 2529400 7.14612 -21.7769 -22.467 -21.5917 9.71819 -55.3661 -25.8982 -56.8948 30.2145 TIMING: 2529400 CPU: 7330.04, 0.00290133/step Wall: 7330.04, 0.00290133/step, 1.99112 hours remaining, 210.675781 MB of memory in use. ENERGY: 2529400 769.5438 2150.8543 1962.4626 126.3378 -205733.0391 17473.3106 0.0000 0.0000 33984.9075 -149265.6225 296.7986 -183250.5300 -149174.3823 299.0736 -121.6602 -93.4835 557088.1699 15.6408 15.6929 PRESSURE: 2529600 33.0086 -110.68 -74.8384 -110.679 24.366 -60.9937 -74.8387 -60.9941 -15.0425 GPRESSURE: 2529600 97.8835 -113.599 -91.2536 -67.2576 65.9342 -81.367 10.6119 7.66881 -28.1201 PRESSAVG: 2529600 8.71282 -29.3284 -21.3617 -29.3283 -83.0812 -34.2406 -21.3618 -34.2406 66.3196 GPRESSAVG: 2529600 10.2816 -29.9148 -21.3348 -30.3394 -83.4456 -36.2491 -22.3275 -31.6991 64.9383 TIMING: 2529600 CPU: 7330.61, 0.00288764/step Wall: 7330.61, 0.00288764/step, 1.98156 hours remaining, 210.675781 MB of memory in use. ENERGY: 2529600 727.1266 2097.9933 1937.9036 115.6263 -205924.1856 17747.8297 0.0000 0.0000 34301.1869 -148996.5192 299.5608 -183297.7061 -148904.1917 299.2210 14.1107 45.2325 558634.5396 -2.6829 -2.7419 PRESSURE: 2529800 86.6741 62.9278 -68.4516 62.9276 70.7812 -106.539 -68.4514 -106.54 109.094 GPRESSURE: 2529800 110.087 29.9149 -47.2515 51.9657 96.9838 -143.906 -64.2932 -129.955 153.864 PRESSAVG: 2529800 -10.0174 70.8569 -34.1529 70.8568 15.4837 -59.6758 -34.1529 -59.6759 -24.5143 GPRESSAVG: 2529800 -10.9315 70.9255 -33.4938 70.9835 15.4528 -59.234 -35.168 -60.4829 -22.8017 TIMING: 2529800 CPU: 7331.19, 0.00288385/step Wall: 7331.19, 0.00288385/step, 1.9788 hours remaining, 210.675781 MB of memory in use. ENERGY: 2529800 723.5850 2132.9922 1949.5417 116.5929 -206352.8825 17946.3409 0.0000 0.0000 34384.4587 -149099.3712 300.2880 -183483.8300 -148999.7407 299.9037 88.8498 120.3116 558405.6297 -6.3493 -6.0935 PRESSURE: 2530000 -35.9608 61.5798 -2.41091 61.579 -138.323 100.668 -2.41167 100.669 -63.2774 GPRESSURE: 2530000 -49.6028 121.515 -30.095 52.8347 -105.583 124.48 66.8915 69.0034 -1.51242 PRESSAVG: 2530000 -27.5948 11.4155 17.7326 11.4155 35.5349 -34.2298 17.7325 -34.2297 -14.5087 GPRESSAVG: 2530000 -26.9022 11.5475 16.4175 10.9909 35.2406 -32.8549 18.3433 -34.385 -15.2738 TIMING: 2530000 CPU: 7331.77, 0.0028823/step Wall: 7331.77, 0.0028823/step, 1.97758 hours remaining, 210.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2530000 778.2888 2145.8258 1941.8535 111.4106 -206552.6786 17912.6345 0.0000 0.0000 34356.2707 -149306.3947 300.0419 -183662.6655 -149212.0853 299.0586 -79.1869 -52.2329 558811.7057 -2.1895 -2.3118 PRESSURE: 2530200 11.313 -58.2056 100.894 -58.2066 55.4881 -1.95945 100.895 -1.96018 47.9531 GPRESSURE: 2530200 61.9255 6.40512 28.3072 -118.912 119.25 -47.5638 140.002 2.13626 32.7969 PRESSAVG: 2530200 6.07641 6.71278 38.713 6.7128 -28.2275 22.2342 38.713 22.2343 12.3131 GPRESSAVG: 2530200 6.33633 6.45709 36.6643 8.60282 -28.2287 22.8881 39.6851 20.5453 11.9445 TIMING: 2530200 CPU: 7332.34, 0.00288557/step Wall: 7332.34, 0.00288557/step, 1.97966 hours remaining, 210.675781 MB of memory in use. ENERGY: 2530200 769.3222 2093.5521 1942.6291 103.4011 -206468.0928 17865.1564 0.0000 0.0000 34333.9390 -149360.0929 299.8468 -183694.0319 -149267.4198 298.6866 38.2514 71.3241 556804.8774 -3.2793 -3.3159 PRESSURE: 2530400 -203.537 175.103 -78.1922 175.104 77.9234 14.9667 -78.1925 14.9643 125.947 GPRESSURE: 2530400 -223.731 164.448 -106.209 252.365 155.669 53.9631 -17.5967 12.456 158.712 PRESSAVG: 2530400 67.2727 27.0697 52.2538 27.0697 -6.42146 17.6332 52.2538 17.633 -43.6419 GPRESSAVG: 2530400 65.7671 28.0436 53.8195 27.1597 -6.17615 17.1193 51.7258 19.6374 -42.6559 TIMING: 2530400 CPU: 7332.93, 0.00291415/step Wall: 7332.93, 0.00291415/step, 1.99911 hours remaining, 210.675781 MB of memory in use. ENERGY: 2530400 739.7374 2130.4061 1942.3543 112.7327 -206400.6395 17834.3787 0.0000 0.0000 34239.2464 -149401.7838 299.0199 -183641.0303 -149304.8939 298.7322 0.1111 30.2166 557430.8292 5.7364 5.6450 PRESSURE: 2530600 -473.343 23.93 188.675 23.9305 -235.958 -82.6812 188.673 -82.683 120.445 GPRESSURE: 2530600 -460.808 42.5796 174.338 -10.6367 -157.376 -74.414 254.674 -91.6316 125.206 PRESSAVG: 2530600 63.1007 21.4917 43.1898 21.4917 36.0507 21.4522 43.1898 21.4521 -61.2539 GPRESSAVG: 2530600 62.9028 21.5384 43.7722 20.5449 35.8174 22.1672 43.1272 20.7428 -61.3532 TIMING: 2530600 CPU: 7333.5, 0.00287187/step Wall: 7333.5, 0.00287187/step, 1.96994 hours remaining, 210.675781 MB of memory in use. ENERGY: 2530600 732.3586 2145.2600 1922.5287 115.9561 -206220.5716 17664.4864 0.0000 0.0000 34066.3353 -149573.6465 297.5098 -183639.9818 -149481.6096 298.6946 -196.2853 -164.3261 557051.7962 12.6325 12.4557 PRESSURE: 2530800 127.526 -143.875 -8.23796 -143.877 66.7399 -128.622 -8.23782 -128.622 159.558 GPRESSURE: 2530800 168.966 -253.325 32.8609 -105.032 83.6548 -128.291 -6.39419 -152.106 188.002 PRESSAVG: 2530800 18.6418 -88.3084 21.9335 -88.3084 31.4895 79.725 21.9335 79.7249 -25.8155 GPRESSAVG: 2530800 18.3245 -90.6244 21.3431 -86.6265 31.1059 78.9879 22.2848 80.599 -25.6962 TIMING: 2530800 CPU: 7334.08, 0.00289492/step Wall: 7334.08, 0.00289492/step, 1.9856 hours remaining, 210.675781 MB of memory in use. ENERGY: 2530800 731.4846 2081.6155 1939.8067 100.3421 -206650.3579 18006.9486 0.0000 0.0000 34179.3144 -149610.8459 298.4965 -183790.1604 -149514.4215 298.3977 117.9412 146.8741 556885.4179 8.1053 7.9114 PRESSURE: 2531000 85.7079 25.4058 262.289 25.405 -16.1272 -77.09 262.288 -77.0918 2.94495 GPRESSURE: 2531000 110.578 1.6136 279.999 158.627 37.1144 -56.1868 198.9 -104.936 29.3488 PRESSAVG: 2531000 62.6759 -22.8893 5.05378 -22.8892 -20.6991 4.24305 5.05364 4.24313 -53.9391 GPRESSAVG: 2531000 63.659 -22.2618 6.86986 -21.8822 -20.4685 4.90589 2.15838 5.64776 -54.8864 TIMING: 2531000 CPU: 7334.66, 0.00290941/step Wall: 7334.66, 0.00290941/step, 1.99537 hours remaining, 210.675781 MB of memory in use. ENERGY: 2531000 769.8824 2040.0715 1950.2041 109.0345 -206283.2229 17923.3570 0.0000 0.0000 33889.3937 -149601.2798 295.9645 -183490.6735 -149500.1821 298.0430 24.1752 59.0138 557097.5264 -3.9874 -3.8986 PRESSURE: 2531200 106.754 -20.424 -189.824 -20.4227 269.564 19.0267 -189.825 19.0274 22.9194 GPRESSURE: 2531200 146.373 -56.3653 -188.811 -53.5992 333.283 11.4261 -197.299 -67.2859 22.2381 PRESSAVG: 2531200 46.1758 -32.9238 11.3923 -32.9238 10.1936 -23.2083 11.3924 -23.2083 -35.4174 GPRESSAVG: 2531200 47.0507 -31.4846 11.7731 -36.0326 10.1707 -22.0944 12.2539 -25.2212 -36.3278 TIMING: 2531200 CPU: 7335.25, 0.00291757/step Wall: 7335.25, 0.00291757/step, 2.0008 hours remaining, 210.675781 MB of memory in use. ENERGY: 2531200 741.0579 2106.8944 1896.8589 114.8636 -206872.6237 18249.0643 0.0000 0.0000 34259.0648 -149504.8198 299.1929 -183763.8846 -149404.3930 298.3217 133.0791 167.2980 557925.4758 6.9840 6.9645 PRESSURE: 2531400 -265.235 -3.48213 16.7362 -3.48165 -58.1221 -80.227 16.7361 -80.2288 -146.563 GPRESSURE: 2531400 -222.759 56.237 59.8815 -88.3923 -82.1466 -23.0517 18.9645 -202.757 -65.5857 PRESSAVG: 2531400 0.860618 -47.3118 1.64883 -47.3118 -25.3829 -13.663 1.64868 -13.6629 33.6523 GPRESSAVG: 2531400 -0.471206 -46.3173 -0.654848 -47.2801 -25.5226 -14.2958 2.95726 -13.6911 34.6597 TIMING: 2531400 CPU: 7335.83, 0.00289353/step Wall: 7335.83, 0.00289353/step, 1.98416 hours remaining, 210.675781 MB of memory in use. ENERGY: 2531400 789.0487 2055.4828 1936.0780 120.7300 -206571.7775 17697.8636 0.0000 0.0000 34404.2143 -149568.3601 300.4606 -183972.5745 -149474.5427 298.8384 -156.6400 -123.4971 557890.3496 3.0433 2.8886 PRESSURE: 2531600 5.8999 -163.123 -19.1703 -163.123 234.211 -73.4054 -19.171 -73.4031 9.08029 GPRESSURE: 2531600 29.2694 -133.065 -102.183 -107.158 314.587 -26.4602 70.0675 -55.224 0.693724 PRESSAVG: 2531600 -19.7335 63.8368 13.3691 63.8368 17.2596 -46.5089 13.3692 -46.5089 -2.42454 GPRESSAVG: 2531600 -20.6798 63.1284 14.3777 64.0521 19.3629 -45.984 14.2202 -44.4674 -3.55765 TIMING: 2531600 CPU: 7336.41, 0.0029085/step Wall: 7336.41, 0.0029085/step, 1.99426 hours remaining, 210.675781 MB of memory in use. ENERGY: 2531600 709.0630 2097.8833 1958.4619 122.3978 -206688.6875 18008.2379 0.0000 0.0000 34132.0017 -149660.6419 298.0833 -183792.6436 -149563.6063 298.1007 83.0638 114.8502 556294.5318 -1.6328 -1.6248 PRESSURE: 2531800 -222.55 100.669 -13.1995 100.669 -312.486 30.3379 -13.1986 30.3385 -16.6359 GPRESSURE: 2531800 -188.312 78.8549 -47.9922 80.9873 -300.828 35.113 -41.9148 40.3664 36.7779 PRESSAVG: 2531800 42.2187 14.7447 -2.1403 14.7446 36.9649 -33.8176 -2.1403 -33.8176 -55.0619 GPRESSAVG: 2531800 43.3858 15.1915 -0.169975 14.7194 35.3281 -34.4747 -4.82355 -34.1073 -54.9548 TIMING: 2531800 CPU: 7336.98, 0.00289012/step Wall: 7336.98, 0.00289012/step, 1.9815 hours remaining, 210.675781 MB of memory in use. ENERGY: 2531800 773.9599 2083.0778 1968.0364 108.7468 -206481.5729 17723.6895 0.0000 0.0000 34107.6865 -149716.3759 297.8709 -183824.0624 -149618.1574 298.4061 -183.8906 -150.7875 557225.1994 8.0405 7.9197 PRESSURE: 2532000 34.3998 -62.5596 -53.6598 -62.5607 15.7802 10.0743 -53.6596 10.0745 -105.464 GPRESSURE: 2532000 35.312 -58.8696 -3.96124 -36.0937 68.8978 -66.1041 -74.4856 73.7067 -77.682 PRESSAVG: 2532000 38.5636 20.2909 -26.435 20.2909 -33.25 -2.30599 -26.4351 -2.30594 -50.5028 GPRESSAVG: 2532000 37.6279 20.0492 -29.7431 20.978 -33.0242 -1.54167 -24.4265 -2.04055 -50.3056 TIMING: 2532000 CPU: 7337.56, 0.00287051/step Wall: 7337.56, 0.00287051/step, 1.9679 hours remaining, 210.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2532000 775.3481 2105.8891 1944.5209 120.2784 -206641.8047 17831.6534 0.0000 0.0000 34330.7225 -149533.3923 299.8187 -183864.1148 -149430.7507 298.0720 -18.4280 8.8426 556614.5087 -15.0631 -15.2340 PRESSURE: 2532200 -294.024 41.3613 21.4458 41.362 52.5404 109.971 21.4465 109.969 20.9259 GPRESSURE: 2532200 -196.044 -50.8444 60.0798 85.6854 45.5222 118.346 -19.167 137.206 37.4911 PRESSAVG: 2532200 71.9562 34.795 27.3983 34.7949 6.14356 35.2448 27.3983 35.2448 -36.8925 GPRESSAVG: 2532200 71.6407 35.6312 27.1033 36.4113 6.67206 33.4986 27.702 34.7676 -37.2291 TIMING: 2532200 CPU: 7338.13, 0.00286766/step Wall: 7338.13, 0.00286766/step, 1.96578 hours remaining, 210.675781 MB of memory in use. ENERGY: 2532200 755.2172 2036.1231 1933.7018 110.5348 -206447.1274 17861.4183 0.0000 0.0000 34268.9291 -149481.2031 299.2791 -183750.1323 -149384.8954 298.6942 -73.5191 -37.6769 557024.7590 13.7358 13.6946 LDB: ============= START OF LOAD BALANCING ============== 7341.52 LDB: ============== END OF LOAD BALANCING =============== 7341.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7341.52 LDB: ============= START OF LOAD BALANCING ============== 7341.81 LDB: Largest compute 4800 load 0.021791 is 18.5% of average load 0.117924 LDB: Average compute 0.001747 is 1.5% of average load 0.117924 LDB: TIME 7341.81 LOAD: AVG 0.117924 MAX 0.180221 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.062 MB LDB: TIME 7341.81 LOAD: AVG 0.117924 MAX 0.180221 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.133 MB LDB: TIME 7341.81 LOAD: AVG 0.117924 MAX 0.180221 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.133 MB LDB: ============== END OF LOAD BALANCING =============== 7341.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7341.82 PRESSURE: 2532400 -254.384 32.1406 173.901 32.1392 -221.658 164.34 173.9 164.338 -77.922 GPRESSURE: 2532400 -211.836 59.2245 108.288 -8.56313 -178.487 78.2873 295.994 180.306 -49.393 PRESSAVG: 2532400 31.317 15.1074 106.035 15.1075 -60.6793 51.142 106.035 51.1419 25.4092 GPRESSAVG: 2532400 32.0284 16.9855 106.971 13.041 -61.1736 52.3864 106.124 52.0931 24.8733 TIMING: 2532400 CPU: 7338.72, 0.00293453/step Wall: 7338.72, 0.00293453/step, 2.01146 hours remaining, 208.636719 MB of memory in use. ENERGY: 2532400 729.7119 2118.0776 1948.4627 107.0641 -206205.1382 17488.3521 0.0000 0.0000 34407.5496 -149405.9203 300.4897 -183813.4698 -149310.8716 298.8136 -184.6547 -146.5721 558546.6727 -1.3177 -1.4240 PRESSURE: 2532600 147.494 27.0211 -146.344 27.0215 101.449 91.8325 -146.344 91.8317 159.934 GPRESSURE: 2532600 199.977 31.2924 -131.498 56.2886 102.299 48.3102 -106.504 86.4816 197.589 PRESSAVG: 2532600 24.7076 8.59866 13.4092 8.59871 -27.3644 28.7102 13.4093 28.7102 -14.2287 GPRESSAVG: 2532600 25.5523 6.17493 14.0351 8.39901 -28.3027 27.9028 13.544 27.6515 -14.7318 TIMING: 2532600 CPU: 7339.29, 0.00287573/step Wall: 7339.29, 0.00287573/step, 1.97099 hours remaining, 208.707031 MB of memory in use. ENERGY: 2532600 674.8311 2116.5544 1947.1567 116.8049 -206699.6039 17915.6129 0.0000 0.0000 34254.4962 -149674.1477 299.1530 -183928.6439 -149575.8870 298.6296 136.2925 166.6216 556287.0786 -5.6285 -5.8274 PRESSURE: 2532800 -185.299 21.3803 31.4712 21.3803 -213.969 125.382 31.471 125.382 -60.0824 GPRESSURE: 2532800 -159.458 35.7258 5.30799 0.983785 -156.345 186.598 -1.56687 18.4482 -41.7174 PRESSAVG: 2532800 10.0134 8.66374 -19.5347 8.66381 -27.8792 43.0191 -19.5346 43.0191 -7.80736 GPRESSAVG: 2532800 8.16769 8.37425 -19.6856 9.68657 -27.2408 43.6722 -22.6551 44.2581 -7.03195 TIMING: 2532800 CPU: 7339.87, 0.00286954/step Wall: 7339.87, 0.00286954/step, 1.96659 hours remaining, 208.707031 MB of memory in use. ENERGY: 2532800 753.5697 2069.0263 1957.9479 104.5899 -206405.6830 17757.0495 0.0000 0.0000 34220.3163 -149543.1834 298.8545 -183763.4996 -149437.9672 297.7407 -153.1168 -119.1734 555900.8966 -8.5577 -8.7017 PRESSURE: 2533000 -1.79831 154.883 65.4397 154.884 191.52 -92.9567 65.4397 -92.9559 34.395 GPRESSURE: 2533000 71.4669 161.972 -18.385 172.528 189.064 -126.392 80.7914 -21.4455 66.8318 PRESSAVG: 2533000 -16.5355 89.0185 -11.7758 89.0185 51.6441 23.1349 -11.7759 23.135 -16.0649 GPRESSAVG: 2533000 -16.0435 89.5918 -12.9126 88.0867 51.5569 22.5669 -9.05005 22.359 -16.9525 TIMING: 2533000 CPU: 7340.45, 0.00289981/step Wall: 7340.45, 0.00289981/step, 1.98717 hours remaining, 208.707031 MB of memory in use. ENERGY: 2533000 718.7311 2087.4858 1937.0971 111.3312 -206555.0985 18026.3808 0.0000 0.0000 34281.5458 -149392.5267 299.3893 -183674.0725 -149297.0016 299.2404 74.7054 109.1209 556102.9645 6.3479 6.1870 PRESSURE: 2533200 56.4625 21.1921 63.5392 21.191 -38.9528 -19.5734 63.5398 -19.5739 -87.1419 GPRESSURE: 2533200 50.7917 82.6391 116.439 -3.11558 -5.92483 -29.4317 104.598 -21.1753 -11.4711 PRESSAVG: 2533200 -0.610673 40.6214 -9.74359 40.6213 -19.2197 72.4079 -9.74366 72.4079 6.30464 GPRESSAVG: 2533200 -1.21765 42.3471 -10.3228 40.0265 -18.1782 74.4776 -9.66343 72.5805 6.2221 TIMING: 2533200 CPU: 7341.03, 0.00290279/step Wall: 7341.03, 0.00290279/step, 1.98905 hours remaining, 208.707031 MB of memory in use. ENERGY: 2533200 747.3517 2112.4704 1936.7934 123.1750 -206480.7009 17926.1881 0.0000 0.0000 34142.8462 -149491.8762 298.1780 -183634.7224 -149402.9039 298.4782 -23.2107 11.1319 556595.1671 -4.5086 -4.3912 PRESSURE: 2533400 -90.9114 158.867 -8.65788 158.866 81.6038 -31.9995 -8.65649 -31.999 95.7849 GPRESSURE: 2533400 -59.1339 112.275 -19.3848 131.256 125.163 -13.613 21.9117 19.6605 118.34 PRESSAVG: 2533400 -25.1517 -17.3742 -7.12043 -17.3742 -5.69407 19.3097 -7.12044 19.3096 18.7363 GPRESSAVG: 2533400 -25.179 -17.8274 -3.55638 -17.3307 -6.64093 16.8477 -8.45814 19.6835 19.6643 TIMING: 2533400 CPU: 7341.61, 0.00290141/step Wall: 7341.61, 0.00290141/step, 1.98795 hours remaining, 208.707031 MB of memory in use. ENERGY: 2533400 743.2787 2081.4230 1945.6571 110.3287 -206379.8318 17727.0674 0.0000 0.0000 34224.0152 -149548.0617 298.8868 -183772.0768 -149456.5217 298.5299 28.8258 61.4563 555884.2761 -4.0365 -4.0519 PRESSURE: 2533600 -102.206 -200.528 -164.784 -200.53 87.5813 73.5654 -164.783 73.5657 -29.0189 GPRESSURE: 2533600 -43.0312 -213.09 -183.445 -246.148 85.2576 71.0135 -126.558 8.52514 17.1467 PRESSAVG: 2533600 -22.3927 -1.3459 -27.6598 -1.34591 22.3716 19.7275 -27.6598 19.7275 -6.09841 GPRESSAVG: 2533600 -21.6738 -4.65753 -30.2566 0.649889 22.8218 20.5274 -24.5 18.4154 -7.78344 TIMING: 2533600 CPU: 7342.19, 0.0028824/step Wall: 7342.19, 0.0028824/step, 1.97477 hours remaining, 208.707031 MB of memory in use. ENERGY: 2533600 709.4055 2034.7771 1961.5682 116.5866 -206542.9865 17932.2458 0.0000 0.0000 34224.9775 -149563.4258 298.8952 -183788.4033 -149463.2293 298.4618 -14.5478 19.7911 558048.5443 -2.0398 -2.2118 PRESSURE: 2533800 58.3612 -88.3681 93.3941 -88.3693 -331.464 24.8583 93.3943 24.8583 -67.072 GPRESSURE: 2533800 93.8648 -71.177 44.2515 -76.6911 -273.812 5.26002 88.088 62.7619 -55.1997 PRESSAVG: 2533800 -19.3777 -28.7401 -3.82842 -28.7401 20.0608 -13.0812 -3.82849 -13.0812 33.0277 GPRESSAVG: 2533800 -21.0401 -26.4991 -2.32591 -28.5864 19.6984 -13.965 -6.30193 -12.4595 34.4174 TIMING: 2533800 CPU: 7342.76, 0.00288041/step Wall: 7342.76, 0.00288041/step, 1.97324 hours remaining, 208.906250 MB of memory in use. ENERGY: 2533800 740.3461 2110.7329 1954.3316 119.5560 -206515.8008 17816.1927 0.0000 0.0000 34305.4975 -149469.1439 299.5984 -183774.6414 -149373.4019 298.9038 -113.3917 -78.3823 557313.5272 11.2369 11.0252 PRESSURE: 2534000 36.0633 33.2092 -44.4883 33.2092 90.0217 -3.33714 -44.4885 -3.33686 -122.766 GPRESSURE: 2534000 54.785 23.9269 -67.6167 85.3369 55.9363 93.5453 -74.6948 -31.495 -4.81476 PRESSAVG: 2534000 -65.7715 -11.7244 32.5487 -11.7243 -22.9693 32.9332 32.5486 32.9332 29.0607 GPRESSAVG: 2534000 -64.8822 -12.2759 30.2582 -13.1897 -23.1828 32.2816 33.7431 34.648 28.4696 TIMING: 2534000 CPU: 7343.34, 0.00286989/step Wall: 7343.34, 0.00286989/step, 1.96587 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2534000 712.8230 2080.9436 1937.8752 106.6557 -206508.6351 17989.2927 0.0000 0.0000 34216.6014 -149464.4435 298.8221 -183681.0449 -149369.7898 298.5895 1.1063 35.3022 557627.4205 -19.8933 -19.8651 PRESSURE: 2534200 -247.771 40.6635 -72.7704 40.6646 75.7177 21.4148 -72.7698 21.414 -17.93 GPRESSURE: 2534200 -203.379 -36.5872 -39.1118 29.3373 120.561 40.5609 -61.627 -17.5737 -20.1658 PRESSAVG: 2534200 27.8836 26.8368 32.0166 26.8368 66.7134 -7.98604 32.0168 -7.98615 -72.631 GPRESSAVG: 2534200 28.2264 25.2693 34.7712 27.3403 67.2515 -6.19099 30.4732 -9.75157 -73.6319 TIMING: 2534200 CPU: 7343.91, 0.00287601/step Wall: 7343.91, 0.00287601/step, 1.96991 hours remaining, 208.906250 MB of memory in use. ENERGY: 2534200 738.4528 2133.7036 1938.7638 111.0458 -206158.8496 17723.4713 0.0000 0.0000 34103.2495 -149410.1628 297.8322 -183513.4123 -149318.2517 298.6839 -63.3277 -34.3278 557871.5134 7.3220 7.2820 PRESSURE: 2534400 33.5628 113.964 137.689 113.965 80.2939 30.5367 137.69 30.5379 -41.3074 GPRESSURE: 2534400 33.0723 34.3297 86.5493 129.803 88.8125 -35.3838 100.573 60.1306 47.1118 PRESSAVG: 2534400 8.36764 16.8958 -58.3699 16.8959 -1.16846 13.6799 -58.3698 13.6798 -10.2659 GPRESSAVG: 2534400 7.34239 19.6331 -59.5468 17.9295 -1.87407 13.3482 -59.0452 13.4974 -8.13335 TIMING: 2534400 CPU: 7344.49, 0.00287197/step Wall: 7344.49, 0.00287197/step, 1.96698 hours remaining, 208.906250 MB of memory in use. ENERGY: 2534400 682.1652 2098.7281 1966.8947 112.9383 -206233.5750 17743.9964 0.0000 0.0000 34435.4134 -149193.4389 300.7330 -183628.8523 -149098.9579 299.0217 24.1831 56.3322 557932.0640 -1.0222 -0.8883 PRESSURE: 2534600 -23.3507 3.21073 36.6962 3.21196 -57.0889 -6.68548 36.6965 -6.68688 -217.861 GPRESSURE: 2534600 -5.49747 -68.929 124.347 2.33706 -1.18739 33.1808 -39.4745 48.4534 -186.688 PRESSAVG: 2534600 -55.9975 -0.251742 -46.6771 -0.251693 -57.1556 -1.84901 -46.677 -1.84899 108.417 GPRESSAVG: 2534600 -55.3144 -1.07198 -48.4232 -0.463364 -57.1564 -1.89674 -45.2938 -1.53392 107.465 TIMING: 2534600 CPU: 7345.07, 0.00291014/step Wall: 7345.07, 0.00291014/step, 1.99296 hours remaining, 208.906250 MB of memory in use. ENERGY: 2534600 721.2639 2072.6382 1952.9772 111.0485 -206015.4129 17701.8770 0.0000 0.0000 34329.9373 -149125.6708 299.8119 -183455.6081 -149034.1589 298.8871 -99.4335 -64.4575 558220.5744 -1.5786 -1.6687 PRESSURE: 2534800 19.8302 -22.3213 134.961 -22.3225 338.745 -10.3294 134.96 -10.3297 -209.914 GPRESSURE: 2534800 44.4455 53.0635 107.791 -24.0125 345.679 -37.7002 140.702 -59.7384 -160.857 PRESSAVG: 2534800 7.54338 -41.2467 -6.16071 -41.2467 -10.8693 -0.499993 -6.16075 -0.500041 21.9418 GPRESSAVG: 2534800 8.70526 -40.1626 -4.48344 -42.5727 -10.9586 0.311589 -7.38228 0.077659 20.5259 TIMING: 2534800 CPU: 7345.65, 0.002891/step Wall: 7345.65, 0.002891/step, 1.97969 hours remaining, 208.906250 MB of memory in use. ENERGY: 2534800 744.8369 2055.8550 1951.6303 109.2633 -206114.2953 17898.1407 0.0000 0.0000 34240.9334 -149113.6357 299.0346 -183354.5691 -149025.6696 299.7911 49.5534 76.4223 558426.8801 6.2053 6.0908 PRESSURE: 2535000 -85.8477 -32.9103 133.943 -32.9103 128.569 35.1307 133.943 35.1293 140.636 GPRESSURE: 2535000 -36.4712 -51.7805 72.0207 68.9085 151.736 49.0339 172.069 -5.73341 155.276 PRESSAVG: 2535000 -76.3529 32.1711 39.1856 32.171 12.279 -3.26204 39.1855 -3.26202 19.7015 GPRESSAVG: 2535000 -78.253 29.7532 37.4654 34.0063 13.4988 -4.06742 40.3478 -1.37983 20.8806 TIMING: 2535000 CPU: 7346.22, 0.00289549/step Wall: 7346.22, 0.00289549/step, 1.98261 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535000 732.3415 2092.5124 1942.9182 108.7915 -205995.5980 17835.4197 0.0000 0.0000 34490.8654 -148792.7493 301.2173 -183283.6147 -148699.8725 299.7046 61.1191 90.1804 559229.5699 -14.7908 -14.6245 PRESSURE: 2535200 -97.8288 63.1013 197.576 63.1018 155.896 57.8906 197.575 57.8917 39.9453 GPRESSURE: 2535200 -54.2094 39.5937 157.352 26.6043 184.45 67.0218 105.959 57.2304 61.5137 PRESSAVG: 2535200 -71.2622 0.723599 -10.7489 0.723621 96.6245 -1.39121 -10.7488 -1.39133 39.3554 GPRESSAVG: 2535200 -70.4273 3.24735 -9.89626 -0.461046 95.4874 -1.64063 -12.1666 -4.42061 39.2647 TIMING: 2535200 CPU: 7346.8, 0.00290014/step Wall: 7346.8, 0.00290014/step, 1.98563 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535200 708.4403 2069.6164 1961.7055 103.4213 -205843.1363 17838.6060 0.0000 0.0000 34190.0764 -148971.2704 298.5904 -183161.3468 -148874.6628 300.6093 32.6707 63.9181 558175.7772 21.5726 21.4416 PRESSURE: 2535400 -15.516 -6.99499 -281.633 -6.99582 -84.8808 -58.9799 -281.634 -58.9805 26.0445 GPRESSURE: 2535400 40.9747 119.283 -270.901 -40.3584 -69.718 33.2834 -305.913 -46.3934 48.3941 PRESSAVG: 2535400 -33.2055 5.37368 -55.8996 5.37364 33.5087 35.6949 -55.8998 35.695 -14.8927 GPRESSAVG: 2535400 -32.671 6.59266 -56.9541 4.35065 33.7344 38.29 -52.4404 33.206 -15.956 TIMING: 2535400 CPU: 7347.38, 0.00288328/step Wall: 7347.38, 0.00288328/step, 1.97393 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535400 733.1925 2043.2510 1939.8979 121.2003 -205719.2489 17758.0256 0.0000 0.0000 34121.4886 -149002.1930 297.9914 -183123.6816 -148906.2376 299.3828 -24.7841 6.5503 559091.7145 -4.8632 -4.9642 PRESSURE: 2535600 111.055 -99.6446 73.3271 -99.645 29.2781 -70.0673 73.3271 -70.0684 309.641 GPRESSURE: 2535600 136.595 -48.3966 49.3821 -112.678 75.512 -104.919 74.8734 -62.2929 332.512 PRESSAVG: 2535600 -11.774 24.9637 -70.3178 24.9637 20.1633 -12.2851 -70.3177 -12.2851 8.27451 GPRESSAVG: 2535600 -11.8899 21.9761 -70.7274 27.4931 20.0143 -13.2936 -71.1593 -9.05304 7.66763 TIMING: 2535600 CPU: 7347.96, 0.00289616/step Wall: 7347.96, 0.00289616/step, 1.98259 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535600 726.2653 2073.6324 1951.7598 113.5676 -206091.4209 18012.1204 0.0000 0.0000 34303.7582 -148910.3172 299.5833 -183214.0754 -148812.3188 299.6392 149.9913 181.5397 557156.7734 5.5546 5.2640 PRESSURE: 2535800 -2.50886 150.476 135.246 150.474 1.99924 -48.5937 135.245 -48.5937 229.289 GPRESSURE: 2535800 23.3589 80.6985 173.31 183.036 82.1181 -10.6617 118.559 -94.7166 240.648 PRESSAVG: 2535800 -6.99714 35.9817 -8.93529 35.9817 -46.5987 6.39597 -8.93523 6.39605 42.4711 GPRESSAVG: 2535800 -6.85766 34.2889 -8.21386 36.0023 -46.728 4.94587 -9.53641 6.20126 42.9617 TIMING: 2535800 CPU: 7348.54, 0.00290158/step Wall: 7348.54, 0.00290158/step, 1.98613 hours remaining, 208.906250 MB of memory in use. ENERGY: 2535800 760.3287 2035.2320 1940.2040 122.6521 -206250.7619 18092.4698 0.0000 0.0000 34275.3145 -149024.5608 299.3348 -183299.8753 -148929.1421 298.8526 76.2597 115.3749 558583.7453 -3.7083 -3.5413 PRESSURE: 2536000 102.409 -44.937 5.8723 -44.9367 -50.3835 42.539 5.87099 42.539 22.0824 GPRESSURE: 2536000 116.374 -11.4025 25.3819 -38.2497 -21.9057 -11.2627 -10.0857 46.4402 80.4656 PRESSAVG: 2536000 43.0206 8.24544 42.0446 8.24539 -77.9543 18.767 42.0446 18.767 48.0559 GPRESSAVG: 2536000 41.7622 10.2151 40.2121 6.88699 -78.7234 19.3901 43.5453 17.3197 49.8561 TIMING: 2536000 CPU: 7349.12, 0.00289072/step Wall: 7349.12, 0.00289072/step, 1.97854 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2536000 727.9655 2022.0613 1935.9375 112.0637 -206240.6261 17916.7635 0.0000 0.0000 34332.1169 -149193.7176 299.8309 -183525.8345 -149094.1762 299.3621 24.7025 58.3114 558109.6996 4.3741 4.2983 PRESSURE: 2536200 151.684 -61.923 46.0251 -61.9229 -3.44162 140.687 46.0249 140.687 83.8962 GPRESSURE: 2536200 198.737 29.9576 10.9082 -130.063 20.7042 105.901 95.0897 187.096 104.964 PRESSAVG: 2536200 -1.84082 -32.8026 -27.4653 -32.8025 32.7206 13.7521 -27.4653 13.7521 6.66041 GPRESSAVG: 2536200 -2.33389 -33.2096 -26.3575 -33.6232 34.521 12.7822 -27.9051 15.0051 5.39005 TIMING: 2536200 CPU: 7349.7, 0.00290699/step Wall: 7349.7, 0.00290699/step, 1.98951 hours remaining, 208.906250 MB of memory in use. ENERGY: 2536200 742.1079 2071.8971 1934.3124 107.1909 -206219.5792 18005.2265 0.0000 0.0000 34336.5795 -149022.2650 299.8699 -183358.8445 -148922.6656 299.7455 77.3794 108.1350 559286.0858 12.5134 12.5257 LDB: ============= START OF LOAD BALANCING ============== 7353.09 LDB: ============== END OF LOAD BALANCING =============== 7353.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7353.09 LDB: ============= START OF LOAD BALANCING ============== 7353.38 LDB: Largest compute 4820 load 0.022077 is 18.7% of average load 0.117895 LDB: Average compute 0.001741 is 1.5% of average load 0.117895 LDB: TIME 7353.38 LOAD: AVG 0.117895 MAX 0.183421 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.535 MB LDB: TIME 7353.38 LOAD: AVG 0.117895 MAX 0.183421 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.738 MB LDB: TIME 7353.38 LOAD: AVG 0.117895 MAX 0.183421 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7353.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7353.39 PRESSURE: 2536400 -220.781 -8.64308 -62.7943 -8.64443 -72.6461 10.0975 -62.7951 10.0973 -165.377 GPRESSURE: 2536400 -155.169 4.88813 -21.8663 -22.8472 -80.7671 49.8534 14.9173 61.2365 -136.38 PRESSAVG: 2536400 15.8992 33.9055 26.1768 33.9056 -20.5054 -6.67592 26.1768 -6.67582 42.5678 GPRESSAVG: 2536400 16.8381 34.1995 25.2657 35.4158 -20.3112 -6.77776 26.5263 -7.75997 41.4738 TIMING: 2536400 CPU: 7350.29, 0.00295824/step Wall: 7350.29, 0.00295824/step, 2.02442 hours remaining, 207.558594 MB of memory in use. ENERGY: 2536400 737.9513 2128.2074 1942.0051 104.2192 -206152.2939 17675.1390 0.0000 0.0000 34488.1209 -149076.6509 301.1933 -183564.7718 -148982.0923 299.7259 -152.9347 -124.1054 557597.4391 12.6539 12.6669 PRESSURE: 2536600 -91.1446 29.6789 -6.38636 29.6766 65.7388 34.9415 -6.3851 34.9412 -22.6201 GPRESSURE: 2536600 -73.4633 25.1718 8.90693 78.4602 92.5407 86.395 -36.3315 -18.2079 30.6686 PRESSAVG: 2536600 -5.53258 -0.957522 -20.329 -0.95751 72.0616 49.3654 -20.329 49.3655 -26.8446 GPRESSAVG: 2536600 -5.63335 0.0868869 -18.3117 -0.580691 69.9798 51.2456 -21.8559 48.6597 -23.9234 TIMING: 2536600 CPU: 7350.87, 0.00287809/step Wall: 7350.87, 0.00287809/step, 1.96942 hours remaining, 207.558594 MB of memory in use. ENERGY: 2536600 771.0102 2060.6430 1937.3927 111.6904 -206266.4743 17801.6204 0.0000 0.0000 34372.7413 -149211.3764 300.1857 -183584.1176 -149110.2631 299.7967 -16.0087 16.5820 557542.6988 13.2281 13.4743 PRESSURE: 2536800 -88.7626 51.085 140.918 51.0857 -25.0358 223.794 140.919 223.794 111.902 GPRESSURE: 2536800 -41.1115 -31.6725 178.802 71.7485 29.3915 208.39 79.799 173.306 105.292 PRESSAVG: 2536800 -0.942901 -15.6819 -10.064 -15.6819 35.124 44.4232 -10.064 44.4232 -27.0241 GPRESSAVG: 2536800 -0.846967 -19.3599 -11.9519 -16.9652 36.4331 43.4606 -8.55882 43.7134 -28.1138 TIMING: 2536800 CPU: 7351.45, 0.0028875/step Wall: 7351.45, 0.0028875/step, 1.97569 hours remaining, 207.558594 MB of memory in use. ENERGY: 2536800 746.6581 2039.2243 1982.4487 112.7525 -206344.2793 17955.3979 0.0000 0.0000 34386.5876 -149121.2101 300.3066 -183507.7978 -149022.8952 299.8630 -0.6321 31.1906 559321.3109 2.3857 2.4908 PRESSURE: 2537000 -142.935 108.369 36.073 108.369 -198.091 29.7794 36.0734 29.7802 16.9826 GPRESSURE: 2537000 -76.3191 115.038 18.9963 154.381 -172.658 52.8303 24.9859 26.9294 26.1722 PRESSAVG: 2537000 -11.0744 -12.1009 -17.917 -12.101 -16.8413 1.63018 -17.9171 1.63017 37.5435 GPRESSAVG: 2537000 -10.8662 -8.22515 -15.6622 -12.2761 -16.7685 1.25666 -19.6534 4.53557 37.4652 TIMING: 2537000 CPU: 7352.03, 0.0029056/step Wall: 7352.03, 0.0029056/step, 1.98791 hours remaining, 207.558594 MB of memory in use. ENERGY: 2537000 754.9486 2036.9924 1958.6749 110.0899 -206017.3114 17755.6303 0.0000 0.0000 34254.5708 -149146.4044 299.1537 -183400.9752 -149044.7756 299.4494 -108.0145 -74.2682 557889.9235 3.2093 3.2768 PRESSURE: 2537200 -178.599 -22.0363 78.208 -22.036 4.71134 -12.7382 78.2085 -12.7391 -30.1664 GPRESSURE: 2537200 -119.841 3.86712 8.87321 -35.2491 -21.8768 -13.6233 123.312 -13.2712 25.7372 PRESSAVG: 2537200 24.2524 -47.0399 14.7348 -47.04 21.2963 44.1268 14.7349 44.1269 -2.97621 GPRESSAVG: 2537200 24.2952 -47.5497 15.6671 -47.7753 20.5115 42.5648 13.8995 44.4389 -2.57713 TIMING: 2537200 CPU: 7352.6, 0.00287436/step Wall: 7352.6, 0.00287436/step, 1.96638 hours remaining, 207.558594 MB of memory in use. ENERGY: 2537200 738.3904 2115.5779 1962.4469 120.5343 -205907.9106 17592.0376 0.0000 0.0000 34078.0530 -149300.8704 297.6121 -183378.9234 -149209.1185 298.8216 -68.0179 -38.6602 557355.8785 14.1908 14.0765 PRESSURE: 2537400 138.198 44.1324 -158.696 44.1321 -30.5783 164.825 -158.697 164.826 16.5159 GPRESSURE: 2537400 128.182 122.703 -86.6558 11.799 -11.0022 76.7917 -180.283 127.788 101.763 PRESSAVG: 2537400 -75.9883 -23.6893 13.9107 -23.6893 -21.4391 -2.89757 13.9107 -2.89747 144.674 GPRESSAVG: 2537400 -75.7423 -23.6353 11.3187 -24.3044 -20.2125 -0.908743 15.1049 -3.21952 143.573 TIMING: 2537400 CPU: 7353.18, 0.00289613/step Wall: 7353.18, 0.00289613/step, 1.98112 hours remaining, 207.558594 MB of memory in use. ENERGY: 2537400 712.7758 2115.6791 1952.8661 111.2114 -206355.2316 17892.3441 0.0000 0.0000 34143.3403 -149427.0149 298.1823 -183570.3552 -149325.2448 298.5208 41.3785 72.9809 556350.7330 15.7487 15.8728 PRESSURE: 2537600 -7.20971 -132.748 108.34 -132.749 93.8627 181.295 108.34 181.295 -4.76963 GPRESSURE: 2537600 -32.4184 -96.7947 56.3773 -103.29 152.348 132.775 81.1644 203.757 56.5903 PRESSAVG: 2537600 -70.4577 -18.322 -39.8186 -18.322 47.3385 2.62696 -39.8185 2.62692 48.1233 GPRESSAVG: 2537600 -71.6673 -18.9497 -37.6764 -16.6293 47.4856 4.15076 -40.1085 1.32525 48.8596 TIMING: 2537600 CPU: 7353.75, 0.00286965/step Wall: 7353.75, 0.00286965/step, 1.96284 hours remaining, 207.558594 MB of memory in use. ENERGY: 2537600 736.1837 2108.9184 1909.1381 111.4293 -206328.8210 17876.3998 0.0000 0.0000 34095.1911 -149491.5607 297.7618 -183586.7517 -149397.4703 298.8409 27.2944 58.8400 556224.3357 8.3347 8.2260 PRESSURE: 2537800 -189.514 -114.444 125.099 -114.445 -390.222 -96.7147 125.1 -96.715 -162.047 GPRESSURE: 2537800 -129.809 -96.4049 146.429 -83.6513 -368.638 -115.415 26.4201 -20.0892 -160.961 PRESSAVG: 2537800 -45.1914 31.1763 -35.9492 31.1763 40.3448 17.0298 -35.9492 17.0298 31.0624 GPRESSAVG: 2537800 -44.5733 31.6347 -35.9212 30.7235 40.5194 13.4579 -35.8133 17.541 29.6703 TIMING: 2537800 CPU: 7354.33, 0.002899/step Wall: 7354.33, 0.002899/step, 1.98276 hours remaining, 207.558594 MB of memory in use. ENERGY: 2537800 759.7607 2114.7835 1919.6265 102.9438 -205875.6664 17435.5718 0.0000 0.0000 34218.4622 -149324.5180 298.8383 -183542.9801 -149234.3389 298.6166 -247.2608 -219.8028 557583.8560 8.7386 8.5388 PRESSURE: 2538000 -142.026 -90.1883 61.2234 -90.1885 82.0137 45.9332 61.2248 45.9326 48.2436 GPRESSURE: 2538000 -24.5989 -94.2702 85.4722 -84.5403 83.0514 22.7046 35.8004 87.968 19.5699 PRESSAVG: 2538000 6.86668 -29.4957 -18.0612 -29.4957 27.6088 18.8648 -18.0611 18.8646 21.735 GPRESSAVG: 2538000 7.47339 -27.7069 -18.3121 -31.3781 26.0958 20.3716 -19.1525 18.236 22.4603 TIMING: 2538000 CPU: 7354.91, 0.00289518/step Wall: 7354.91, 0.00289518/step, 1.97998 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2538000 743.6706 2079.7787 1935.2803 103.9018 -206188.6017 17817.0925 0.0000 0.0000 34344.2219 -149164.6559 299.9366 -183508.8778 -149076.2013 299.1096 -3.9229 26.0075 558057.9788 18.7368 18.6765 PRESSURE: 2538200 172.746 -183.002 33.2276 -183.004 97.67 -15.4181 33.2283 -15.4168 191.576 GPRESSURE: 2538200 230.575 -220.377 57.3941 -185.802 134.253 -3.1853 56.2779 -18.3586 197.554 PRESSAVG: 2538200 -13.8041 -15.7888 31.3348 -15.7888 -57.0715 64.7069 31.3347 64.707 59.327 GPRESSAVG: 2538200 -14.7927 -18.8274 30.0933 -13.3838 -56.7948 62.5279 32.5706 65.8474 60.0334 TIMING: 2538200 CPU: 7355.49, 0.00289825/step Wall: 7355.49, 0.00289825/step, 1.98192 hours remaining, 207.558594 MB of memory in use. ENERGY: 2538200 737.9756 2173.5661 1932.7480 108.7575 -206239.3170 17982.2856 0.0000 0.0000 34206.0157 -149097.9685 298.7296 -183303.9842 -149000.2101 299.5437 153.9974 187.4606 557495.9685 -3.8495 -3.8513 PRESSURE: 2538400 173.905 -61.0042 21.2826 -61.0053 19.4494 -157.607 21.2828 -157.608 -181.658 GPRESSURE: 2538400 147.415 -50.794 3.89511 -51.5646 59.8747 -152.882 -46.9258 -145.511 -90.2537 PRESSAVG: 2538400 33.695 -41.1487 -24.1065 -41.1485 4.27726 19.933 -24.1064 19.933 -21.98 GPRESSAVG: 2538400 31.8131 -37.2241 -23.6227 -43.5573 5.43746 22.0818 -24.4576 17.1572 -21.6108 TIMING: 2538400 CPU: 7356.07, 0.00287108/step Wall: 7356.07, 0.00287108/step, 1.96318 hours remaining, 207.558594 MB of memory in use. ENERGY: 2538400 768.6258 2097.9746 1948.9087 105.6210 -206181.4338 17879.5783 0.0000 0.0000 34224.6042 -149156.1211 298.8920 -183380.7253 -149057.5350 299.0323 3.8987 39.0121 557080.8312 5.3308 5.2133 PRESSURE: 2538600 -201.919 6.20025 165.62 6.19901 -261.671 64.4455 165.621 64.4475 -331.656 GPRESSURE: 2538600 -129.902 22.7939 188.023 58.0827 -269.795 5.28897 101.867 90.8827 -301.874 PRESSAVG: 2538600 24.6524 0.0186827 -11.355 0.0187367 -20.9669 -10.1033 -11.355 -10.1034 -39.0915 GPRESSAVG: 2538600 27.1642 -0.046604 -11.663 1.03137 -23.6663 -8.46394 -10.133 -8.84696 -38.7215 TIMING: 2538600 CPU: 7356.65, 0.00289278/step Wall: 7356.65, 0.00289278/step, 1.97786 hours remaining, 207.558594 MB of memory in use. ENERGY: 2538600 750.7040 2104.0752 1958.6470 111.5586 -205718.7945 17404.7088 0.0000 0.0000 34279.8065 -149109.2944 299.3741 -183389.1010 -149015.9605 299.7136 -265.0821 -233.8569 559176.3217 -11.8020 -11.7412 PRESSURE: 2538800 -189.712 59.3554 159.838 59.3547 168.07 132.171 159.836 132.17 55.6753 GPRESSURE: 2538800 -159.885 -30.0719 107.576 140.404 143.483 243.214 110.861 74.9192 142.274 PRESSAVG: 2538800 -8.06868 44.1018 -9.52544 44.1017 -2.67007 34.7528 -9.52545 34.7528 29.9212 GPRESSAVG: 2538800 -8.71491 41.0371 -10.6274 45.6132 -1.78852 31.5864 -10.797 36.5012 29.2767 TIMING: 2538800 CPU: 7357.22, 0.00289559/step Wall: 7357.22, 0.00289559/step, 1.97962 hours remaining, 207.558594 MB of memory in use. ENERGY: 2538800 762.7141 2155.5870 1963.6525 111.2023 -206107.6886 17805.0116 0.0000 0.0000 34321.8090 -148987.7121 299.7409 -183309.5211 -148889.3869 299.0788 11.3443 41.9576 555643.9092 6.3942 6.2578 PRESSURE: 2539000 -68.8295 28.6294 130.883 28.6296 139.447 118.842 130.883 118.842 107.983 GPRESSURE: 2539000 -29.8692 35.9493 108.871 74.7436 176.544 57.4841 279.807 93.9676 121.76 PRESSAVG: 2539000 29.1507 -12.1005 21.0916 -12.1004 -14.8497 53.549 21.0916 53.5491 3.24117 GPRESSAVG: 2539000 28.3484 -10.7256 22.2625 -13.6441 -13.8132 52.8167 22.4837 53.1171 2.92934 TIMING: 2539000 CPU: 7357.8, 0.00289486/step Wall: 7357.8, 0.00289486/step, 1.97896 hours remaining, 207.761719 MB of memory in use. ENERGY: 2539000 765.2903 2104.9819 1950.0725 99.9631 -206192.4319 17833.2203 0.0000 0.0000 34215.6706 -149223.2332 298.8140 -183438.9039 -149126.1555 299.8371 59.5334 89.4782 556205.3228 5.8474 5.8215 PRESSURE: 2539200 38.5021 -25.3962 -11.7055 -25.3963 -192.361 57.0587 -11.7059 57.0592 -243.39 GPRESSURE: 2539200 89.3596 -74.3671 52.9089 38.6421 -196.565 21.2233 -66.0452 14.3818 -190.946 PRESSAVG: 2539200 -10.7548 -9.64052 10.426 -9.64054 51.8941 45.5551 10.4259 45.555 -17.9987 GPRESSAVG: 2539200 -9.24204 -11.0845 9.44209 -9.95069 50.7775 43.1483 8.15491 46.8203 -18.1449 TIMING: 2539200 CPU: 7358.38, 0.00288075/step Wall: 7358.38, 0.00288075/step, 1.96915 hours remaining, 207.761719 MB of memory in use. ENERGY: 2539200 724.9915 2112.7182 1967.6420 121.6652 -205904.7881 17480.4657 0.0000 0.0000 34343.6686 -149153.6369 299.9318 -183497.3055 -149057.4400 299.6147 -132.4164 -99.3840 557206.3549 7.7135 7.7968 PRESSURE: 2539400 -217.327 38.6956 136.829 38.6944 118.301 171.679 136.829 171.68 81.0057 GPRESSURE: 2539400 -135.543 73.8397 86.2088 31.5797 116.551 34.2028 126.331 321.404 103.416 PRESSAVG: 2539400 -8.98477 4.91394 -26.8602 4.91388 41.333 48.3274 -26.8602 48.3273 -52.927 GPRESSAVG: 2539400 -9.53125 5.56801 -26.3271 6.57229 41.7539 50.9329 -26.5425 46.4056 -52.6621 TIMING: 2539400 CPU: 7358.96, 0.00291621/step Wall: 7358.96, 0.00291621/step, 1.99323 hours remaining, 207.761719 MB of memory in use. ENERGY: 2539400 760.8427 2138.5967 1921.8903 122.2207 -206395.0729 17827.9740 0.0000 0.0000 34309.5565 -149313.9921 299.6339 -183623.5486 -149215.9175 299.1050 -6.0068 28.1413 556854.2577 -6.8596 -6.8132 PRESSURE: 2539600 112.796 147.522 18.8957 147.522 132.573 33.7238 18.8964 33.7232 -82.9875 GPRESSURE: 2539600 130.596 160.716 20.594 139.175 129.637 16.6254 47.0176 109.885 -1.68559 PRESSAVG: 2539600 -91.3818 2.7056 48.3585 2.70565 27.8969 44.6081 48.3584 44.6081 23.1342 GPRESSAVG: 2539600 -91.8114 2.92804 48.0381 4.16477 28.7493 42.9701 48.723 45.3228 22.5831 TIMING: 2539600 CPU: 7359.54, 0.00289646/step Wall: 7359.54, 0.00289646/step, 1.97957 hours remaining, 207.761719 MB of memory in use. ENERGY: 2539600 741.2839 2106.3545 1924.7770 110.4235 -206408.0847 17993.2564 0.0000 0.0000 34359.4378 -149172.5516 300.0695 -183531.9894 -149072.4893 299.2602 54.1273 86.1826 557044.9892 -13.4502 -13.4930 PRESSURE: 2539800 -47.4529 72.0594 156.233 72.0606 -96.5837 125.928 156.234 125.927 -43.0955 GPRESSURE: 2539800 -17.5264 146.456 107.576 16.7877 -36.5991 171.044 118.314 109.987 -43.6321 PRESSAVG: 2539800 -50.507 -16.2765 12.5758 -16.2764 75.456 10.3027 12.5758 10.3027 1.15252 GPRESSAVG: 2539800 -49.8764 -17.0418 14.2447 -18.7876 74.6572 12.5454 11.3671 9.42666 1.62556 TIMING: 2539800 CPU: 7360.12, 0.00290101/step Wall: 7360.12, 0.00290101/step, 1.98251 hours remaining, 207.761719 MB of memory in use. ENERGY: 2539800 802.7177 2150.4963 1919.2542 109.3757 -206180.1206 17806.2311 0.0000 0.0000 34318.4451 -149073.6006 299.7115 -183392.0457 -148980.3409 300.0952 -62.3773 -32.5859 558317.0591 8.7005 8.8021 PRESSURE: 2540000 -205.346 10.1141 -84.4062 10.1144 159.677 173.988 -84.4051 173.988 357.838 GPRESSURE: 2540000 -213.91 92.0113 -169.157 44.5942 243.213 110.751 -99.9743 200.489 388.21 PRESSAVG: 2540000 2.68005 -1.37735 -67.6679 -1.37725 -21.3526 -39.7971 -67.6679 -39.7971 52.6461 GPRESSAVG: 2540000 2.38037 -1.21066 -68.9796 -0.667577 -19.9723 -38.1044 -65.013 -41.6312 51.6525 TIMING: 2540000 CPU: 7360.7, 0.00289836/step Wall: 7360.7, 0.00289836/step, 1.98055 hours remaining, 207.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2540000 755.8235 2088.8026 1949.7742 106.1359 -206169.5752 17749.6970 0.0000 0.0000 34339.1991 -149180.1428 299.8928 -183519.3419 -149087.3492 299.5131 104.0562 139.1712 556262.2210 11.3245 11.3535 PRESSURE: 2540200 -187.54 19.3672 56.2493 19.3669 -188.294 -189.219 56.2497 -189.219 159.135 GPRESSURE: 2540200 -144.623 67.5926 110.792 -2.04838 -152.992 -127.317 90.8484 -186.575 176.892 PRESSAVG: 2540200 -37.4862 -18.187 5.84759 -18.187 33.4396 -4.50613 5.84764 -4.50618 5.00172 GPRESSAVG: 2540200 -36.6682 -17.4931 6.55492 -17.9875 32.1889 -6.6733 4.93901 -1.72641 5.63527 TIMING: 2540200 CPU: 7361.28, 0.00288716/step Wall: 7361.28, 0.00288716/step, 1.97273 hours remaining, 207.761719 MB of memory in use. ENERGY: 2540200 760.4211 2072.8700 1949.1163 118.7457 -206253.6406 17713.8750 0.0000 0.0000 34422.1421 -149216.4704 300.6171 -183638.6125 -149109.3044 299.4824 -72.2327 -40.2413 557342.8193 0.3184 0.3853 LDB: ============= START OF LOAD BALANCING ============== 7364.67 LDB: ============== END OF LOAD BALANCING =============== 7364.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7364.67 LDB: ============= START OF LOAD BALANCING ============== 7364.96 LDB: Largest compute 4820 load 0.023022 is 19.5% of average load 0.117886 LDB: Average compute 0.001741 is 1.5% of average load 0.117886 LDB: TIME 7364.96 LOAD: AVG 0.117886 MAX 0.179291 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.844 MB LDB: TIME 7364.96 LOAD: AVG 0.117886 MAX 0.179291 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.844 MB LDB: TIME 7364.96 LOAD: AVG 0.117886 MAX 0.179291 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7364.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7364.97 PRESSURE: 2540400 -36.4088 -21.8805 -83.9479 -21.8792 -33.6548 -219.534 -83.9469 -219.534 298.051 GPRESSURE: 2540400 -14.1507 -48.8569 -68.7497 4.53969 44.0708 -226.311 -48.757 -127.015 304.09 PRESSAVG: 2540400 -35.9499 4.5473 -39.7522 4.54728 -60.4774 -9.34699 -39.7522 -9.34709 81.1126 GPRESSAVG: 2540400 -37.0182 3.81353 -40.8929 4.71589 -59.5883 -8.84507 -39.9268 -8.83358 80.7659 TIMING: 2540400 CPU: 7361.87, 0.00296454/step Wall: 7361.87, 0.00296454/step, 2.02544 hours remaining, 209.667969 MB of memory in use. ENERGY: 2540400 756.1465 2084.6690 1974.5788 118.0086 -206536.4999 17876.2882 0.0000 0.0000 34480.6079 -149246.2009 301.1277 -183726.8088 -149149.3041 300.2607 75.9958 111.3367 556775.7483 -5.1049 -5.2802 PRESSURE: 2540600 -67.6699 72.9045 -154.627 72.9042 112 -84.4575 -154.628 -84.4581 51.814 GPRESSURE: 2540600 -58.9724 182.252 -163.911 -9.89698 117.961 -32.3126 -181.022 -8.78141 139.767 PRESSAVG: 2540600 -70.9486 13.0041 -40.4863 13.0041 68.8269 -13.1795 -40.4863 -13.1795 77.7358 GPRESSAVG: 2540600 -71.5839 14.1779 -39.2021 12.3045 68.4133 -13.9061 -39.1411 -13.9386 78.6046 TIMING: 2540600 CPU: 7362.45, 0.00288852/step Wall: 7362.45, 0.00288852/step, 1.97334 hours remaining, 209.867188 MB of memory in use. ENERGY: 2540600 713.4949 2103.8311 1954.8468 121.5492 -205981.9592 17637.4798 0.0000 0.0000 34148.6260 -149302.1315 298.2284 -183450.7576 -149203.7396 299.7577 32.0480 66.2518 558247.8483 25.2047 25.1447 PRESSURE: 2540800 318.708 -51.0419 -14.6354 -51.0421 -62.3316 -10.4712 -14.6354 -10.4701 139.82 GPRESSURE: 2540800 301.484 -84.8875 10.7606 18.8426 -29.0361 52.6448 -29.4263 -25.4805 213.416 PRESSAVG: 2540800 1.66425 4.22958 -17.7619 4.22962 31.1415 -61.4001 -17.7618 -61.4001 15.3633 GPRESSAVG: 2540800 1.45074 2.49133 -18.8415 7.29506 32.2605 -61.878 -19.4588 -59.0461 15.0308 TIMING: 2540800 CPU: 7363.03, 0.00290245/step Wall: 7363.03, 0.00290245/step, 1.9827 hours remaining, 209.867188 MB of memory in use. ENERGY: 2540800 750.8904 2115.9208 1933.8395 119.2794 -206538.7554 18171.5866 0.0000 0.0000 34218.4987 -149228.7401 298.8387 -183447.2388 -149133.7728 298.7225 132.0655 161.9547 558064.0390 16.0564 16.2473 PRESSURE: 2541000 -114.363 117.781 7.67725 117.781 275.855 56.7983 7.67693 56.7986 -255.729 GPRESSURE: 2541000 -97.6849 90.154 -45.8973 113.787 320.618 94.5643 1.85963 44.5925 -215.609 PRESSAVG: 2541000 -24.2511 3.20372 -2.66392 3.20372 52.4686 -18.3713 -2.66394 -18.3714 -24.6123 GPRESSAVG: 2541000 -23.0439 2.91163 -2.16252 1.50916 52.6017 -16.7875 -1.77615 -20.9313 -25.8923 TIMING: 2541000 CPU: 7363.61, 0.00289168/step Wall: 7363.61, 0.00289168/step, 1.97517 hours remaining, 209.867188 MB of memory in use. ENERGY: 2541000 778.1078 2112.7030 1922.1089 105.3267 -206047.7488 17854.3950 0.0000 0.0000 34127.3362 -149147.7711 298.0425 -183275.1073 -149058.2098 298.8102 -31.4124 2.4414 558197.6973 1.2017 1.2218 PRESSURE: 2541200 31.268 -54.9322 79.5193 -54.9328 -153.73 60.8093 79.5178 60.8089 -62.3597 GPRESSURE: 2541200 51.9471 -46.2197 59.4654 -77.8598 -100.242 164.626 177.687 13.1831 -34.7088 PRESSAVG: 2541200 -50.4857 27.0887 -10.9927 27.0886 2.83243 13.532 -10.9927 13.532 9.97705 GPRESSAVG: 2541200 -49.6554 26.9428 -11.0098 27.895 1.66284 12.1326 -12.702 13.1402 10.4683 TIMING: 2541200 CPU: 7364.19, 0.00290085/step Wall: 7364.19, 0.00290085/step, 1.98128 hours remaining, 209.867188 MB of memory in use. ENERGY: 2541200 779.2872 2133.1012 1938.9430 114.1271 -205913.4691 17817.7081 0.0000 0.0000 34019.3356 -149110.9669 297.0993 -183130.3025 -149017.5006 298.4124 -61.6073 -27.6680 558384.6660 -12.5587 -12.5081 PRESSURE: 2541400 67.4153 -38.0995 -148.172 -38.0983 66.7188 40.2052 -148.173 40.2044 -282.877 GPRESSURE: 2541400 102.193 34.4219 -94.7705 -177.36 108.777 -30.5444 -118.452 92.0349 -267.993 PRESSAVG: 2541400 -43.307 13.1297 -15.4764 13.1296 -23.7402 -31.0645 -15.4764 -31.0645 35.5867 GPRESSAVG: 2541400 -44.968 13.8878 -15.6322 11.8807 -21.8405 -30.6673 -14.4685 -29.4519 35.7345 TIMING: 2541400 CPU: 7364.77, 0.00288456/step Wall: 7364.77, 0.00288456/step, 1.96999 hours remaining, 209.867188 MB of memory in use. ENERGY: 2541400 754.0601 2073.2329 1961.2262 99.6159 -205782.4197 17642.7503 0.0000 0.0000 34195.3717 -149056.1626 298.6367 -183251.5343 -148957.2054 299.3959 -49.5809 -19.0078 559091.7893 -10.4868 -10.3580 PRESSURE: 2541600 -290.818 118.519 91.5259 118.518 -327.891 101.474 91.5243 101.476 -189.858 GPRESSURE: 2541600 -282.133 125.753 122.95 61.4326 -321.845 69.9082 44.0817 107.47 -102.945 PRESSAVG: 2541600 -16.9059 23.2085 24.7864 23.2086 0.893244 -27.2237 24.7864 -27.2238 -16.5201 GPRESSAVG: 2541600 -14.9635 24.3383 23.9236 22.3168 -0.0976182 -27.7067 24.8965 -27.8752 -16.481 TIMING: 2541600 CPU: 7365.35, 0.00290973/step Wall: 7365.35, 0.00290973/step, 1.98702 hours remaining, 209.867188 MB of memory in use. ENERGY: 2541600 745.2142 2113.6842 1925.0468 98.6297 -205601.7404 17495.0651 0.0000 0.0000 34256.3535 -148967.7469 299.1693 -183224.1004 -148866.2123 299.5155 -269.5222 -235.6412 560429.2793 -10.8442 -10.5140 PRESSURE: 2541800 34.379 7.7389 13.9837 7.74049 153.28 135.201 13.9845 135.202 61.0492 GPRESSURE: 2541800 14.5951 14.7006 21.7062 128.029 220.117 118.905 -9.26362 142.761 104.4 PRESSAVG: 2541800 -12.8136 81.8629 13.0564 81.8629 -15.5671 -18.3375 13.0563 -18.3375 38.4732 GPRESSAVG: 2541800 -13.6561 80.8569 15.9597 82.0918 -15.4811 -18.6422 12.2516 -18.2082 39.2506 TIMING: 2541800 CPU: 7365.93, 0.00289151/step Wall: 7365.93, 0.00289151/step, 1.97442 hours remaining, 209.867188 MB of memory in use. ENERGY: 2541800 734.6951 2166.0515 1921.3225 102.2065 -206273.0477 18089.4052 0.0000 0.0000 34372.0367 -148887.3301 300.1795 -183259.3668 -148789.9058 299.6657 82.9029 113.0374 559416.9777 3.3641 3.3712 PRESSURE: 2542000 -67.4684 65.8339 101.254 65.8343 -16.1223 -21.3109 101.254 -21.3112 -200.319 GPRESSURE: 2542000 -29.2117 49.8916 173.699 82.111 20.9679 28.814 51.8255 -95.1214 -186.306 PRESSAVG: 2542000 22.2876 -21.1449 57.4543 -21.1449 13.9755 62.8823 57.4543 62.8823 -19.1863 GPRESSAVG: 2542000 22.6474 -21.8055 56.7289 -20.8696 14.0141 63.3072 57.9696 61.3471 -20.0265 TIMING: 2542000 CPU: 7366.5, 0.0028841/step Wall: 7366.5, 0.0028841/step, 1.9692 hours remaining, 209.867188 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: 2542000 734.3898 2129.1424 1965.8513 107.9350 -206042.2476 17936.6921 0.0000 0.0000 34302.3631 -148865.8740 299.5711 -183168.2371 -148770.6432 300.7200 -94.6367 -64.8499 561928.2533 5.6923 5.5450 PRESSURE: 2542200 -38.1024 -52.6266 54.9904 -52.6264 366.569 49.4329 54.9899 49.4338 55.0618 GPRESSURE: 2542200 48.8773 -117.262 11.6861 -57.5518 335.565 60.5718 4.7118 53.506 104.656 PRESSAVG: 2542200 -5.2837 -51.1588 -46.0322 -51.1589 30.6114 43.799 -46.0321 43.7989 -36.5243 GPRESSAVG: 2542200 -4.6889 -52.2635 -44.9429 -50.2083 29.9274 44.6147 -45.5508 43.396 -35.6123 TIMING: 2542200 CPU: 7367.08, 0.00287978/step Wall: 7367.08, 0.00287978/step, 1.96609 hours remaining, 209.867188 MB of memory in use. ENERGY: 2542200 745.7303 2097.3594 1954.0672 113.7737 -206345.2037 18199.4662 0.0000 0.0000 34402.7067 -148832.1002 300.4474 -183234.8069 -148741.1700 300.4594 127.8429 163.0329 558177.5905 -3.7322 -3.4579 PRESSURE: 2542400 -26.1798 171.915 22.8151 171.915 262.312 88.1416 22.8157 88.1393 89.2296 GPRESSURE: 2542400 51.6502 133.376 31.3488 112.976 249.121 104.654 49.5431 20.4301 120.975 PRESSAVG: 2542400 -29.9244 6.70805 -55.4726 6.70797 55.3635 26.3265 -55.4726 26.3265 17.1474 GPRESSAVG: 2542400 -29.934 7.91203 -56.3162 5.39043 56.7274 25.8397 -54.3554 27.1405 16.1748 TIMING: 2542400 CPU: 7367.66, 0.00290735/step Wall: 7367.66, 0.00290735/step, 1.98475 hours remaining, 209.867188 MB of memory in use. ENERGY: 2542400 795.9585 2107.6267 1913.5652 97.4144 -206285.5677 18153.9412 0.0000 0.0000 34198.6406 -149018.4210 298.6652 -183217.0616 -148914.5288 300.3595 108.4540 140.5819 557789.8369 14.1955 14.3227 PRESSURE: 2542600 40.483 47.2557 -58.9459 47.255 -79.4687 134.564 -58.9468 134.564 -60.6228 GPRESSURE: 2542600 102.731 -12.3635 -84.5671 46.8928 -54.0587 98.3494 -89.0074 112.247 -40.6774 PRESSAVG: 2542600 -26.5348 -19.7306 -3.26828 -19.7307 51.5163 30.0668 -3.26829 30.0667 -7.42699 GPRESSAVG: 2542600 -27.2553 -18.2801 -1.89059 -20.383 51.5083 28.7676 -5.60331 29.3841 -6.19928 TIMING: 2542600 CPU: 7368.24, 0.00289491/step Wall: 7368.24, 0.00289491/step, 1.9761 hours remaining, 209.867188 MB of memory in use. ENERGY: 2542600 715.4520 2135.0774 1963.6266 110.2892 -206008.1629 17768.3747 0.0000 0.0000 34403.7493 -148911.5936 300.4565 -183315.3429 -148816.1958 299.4006 -33.2028 2.6649 559198.7788 5.8515 6.0179 PRESSURE: 2542800 5.58415 132.252 72.1362 132.251 38.2063 -128.997 72.1347 -128.998 70.3649 GPRESSURE: 2542800 69.6215 189.271 66.274 56.9771 19.2011 -95.7959 93.9272 -71.3107 120.397 PRESSAVG: 2542800 -36.1241 75.2673 -10.9024 75.2673 -11.5051 41.6871 -10.9023 41.6872 22.9895 GPRESSAVG: 2542800 -34.6001 74.5697 -12.1327 76.5068 -11.6919 41.0348 -12.4565 43.4237 21.8118 TIMING: 2542800 CPU: 7368.82, 0.00289204/step Wall: 7368.82, 0.00289204/step, 1.97398 hours remaining, 209.867188 MB of memory in use. ENERGY: 2542800 729.9628 2078.7761 1935.2953 111.7274 -206462.0213 17923.6382 0.0000 0.0000 34599.4159 -149083.2056 302.1653 -183682.6215 -148983.1506 299.9499 38.0518 69.7400 557485.8759 -8.2132 -8.1601 PRESSURE: 2543000 -208.892 68.5607 -101.331 68.5602 -5.81212 150.878 -101.33 150.876 -229.788 GPRESSURE: 2543000 -179.522 1.53007 -93.1159 126.543 -13.624 152.84 -27.446 167.522 -152.451 PRESSAVG: 2543000 -83.5983 -4.32553 64.3975 -4.32562 60.8711 26.755 64.3976 26.755 50.1184 GPRESSAVG: 2543000 -84.5884 -6.95773 63.984 -3.5637 60.7178 28.0978 67.5201 27.568 51.389 TIMING: 2543000 CPU: 7369.39, 0.0028769/step Wall: 7369.39, 0.0028769/step, 1.96348 hours remaining, 209.867188 MB of memory in use. ENERGY: 2543000 763.1331 2141.2056 1924.4802 116.1875 -206019.5070 17719.3360 0.0000 0.0000 34218.4335 -149136.7312 298.8381 -183355.1646 -149037.0184 299.6260 -148.1643 -115.1989 558842.5011 9.1304 9.1728 PRESSURE: 2543200 28.853 131.325 95.2428 131.326 278.566 -53.9145 95.2419 -53.914 -71.1605 GPRESSURE: 2543200 1.94776 115.385 156.212 128.172 330.022 -140.916 -2.44616 -2.30662 -4.99245 PRESSAVG: 2543200 26.7619 23.9067 16.8462 23.9067 -34.1238 9.02366 16.8463 9.02366 20.9423 GPRESSAVG: 2543200 25.7583 25.6679 16.4542 23.4563 -33.2462 9.09628 16.8562 8.36149 20.7594 TIMING: 2543200 CPU: 7369.97, 0.00287525/step Wall: 7369.97, 0.00287525/step, 1.9622 hours remaining, 209.867188 MB of memory in use. ENERGY: 2543200 765.6886 2143.2256 1934.9038 99.1898 -206576.7999 18223.6341 0.0000 0.0000 34078.1228 -149332.0352 297.6127 -183410.1580 -149241.4445 299.1944 78.7527 108.9924 559706.7120 4.5268 4.4238 PRESSURE: 2543400 -169.12 -52.235 129.242 -52.234 -254.627 -29.67 129.241 -29.6712 -211.291 GPRESSURE: 2543400 -110.159 -15.7388 116.616 -45.6517 -237.46 -61.1302 158.544 -139.066 -188.187 PRESSAVG: 2543400 -36.4861 20.3789 23.3027 20.3788 25.5995 -31.0936 23.3027 -31.0936 5.31721 GPRESSAVG: 2543400 -35.2879 19.8307 24.3518 18.9923 25.094 -30.8221 23.7705 -31.642 4.91595 TIMING: 2543400 CPU: 7370.54, 0.00286813/step Wall: 7370.54, 0.00286813/step, 1.95718 hours remaining, 209.867188 MB of memory in use. ENERGY: 2543400 782.7759 2090.7266 1954.9664 119.8315 -206076.7458 17638.3475 0.0000 0.0000 34087.6014 -149402.4965 297.6955 -183490.0979 -149301.7103 298.6241 -211.6793 -178.6016 558850.5183 -1.8565 -1.7593 PRESSURE: 2543600 -214.542 80.2443 -39.2577 80.2446 -2.50685 -87.899 -39.2584 -87.9002 91.9438 GPRESSURE: 2543600 -186.814 -18.4099 -75.164 123.083 39.373 -134.029 -3.43935 -5.33169 110.202 PRESSAVG: 2543600 -55.6149 32.4616 -4.5274 32.4617 20.5917 -27.2885 -4.52741 -27.2886 -12.3463 GPRESSAVG: 2543600 -55.3564 33.6481 -7.33543 30.9114 20.1298 -26.1255 -4.51769 -26.4543 -11.862 TIMING: 2543600 CPU: 7371.12, 0.00287898/step Wall: 7371.12, 0.00287898/step, 1.96443 hours remaining, 209.867188 MB of memory in use. ENERGY: 2543600 746.6231 2093.2007 1947.9934 115.0486 -206370.4148 17792.6928 0.0000 0.0000 34343.0706 -149331.7856 299.9266 -183674.8562 -149245.4579 298.3706 -41.7018 -12.4130 558522.6181 -15.7899 -15.6962 PRESSURE: 2543800 334.99 18.9158 39.7989 18.9153 132.132 52.3076 39.7982 52.3082 223.902 GPRESSURE: 2543800 350.219 3.72759 -66.1342 47.8673 165.262 33.865 29.6113 34.5492 266.612 PRESSAVG: 2543800 -79.0523 -17.6626 61.2194 -17.6625 5.77797 -23.1935 61.2194 -23.1935 29.6151 GPRESSAVG: 2543800 -81.2265 -18.0781 64.2135 -15.2546 8.24089 -24.9944 59.9691 -24.0686 29.1469 TIMING: 2543800 CPU: 7371.69, 0.00288151/step Wall: 7371.69, 0.00288151/step, 1.96599 hours remaining, 209.867188 MB of memory in use. ENERGY: 2543800 732.6357 2083.7964 1922.0674 110.1863 -206731.0970 18247.2399 0.0000 0.0000 34295.4730 -149339.6983 299.5109 -183635.1713 -149242.2991 298.7664 230.3414 260.6977 557509.2629 -14.5531 -14.6129 PRESSURE: 2544000 9.20687 -64.2635 -44.2854 -64.2623 7.60105 112.824 -44.2838 112.825 -101.051 GPRESSURE: 2544000 30.3048 -70.4974 -37.5315 -101.162 32.7316 157.95 -64.9649 78.7518 -48.6757 PRESSAVG: 2544000 -23.8785 -64.2251 -36.871 -64.2251 31.3552 17.8148 -36.871 17.8148 -0.181411 GPRESSAVG: 2544000 -22.6792 -65.0532 -37.8099 -66.324 28.9189 18.0043 -37.0881 17.4674 1.65353 TIMING: 2544000 CPU: 7372.27, 0.00288111/step Wall: 7372.27, 0.00288112/step, 1.96556 hours remaining, 209.867188 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: 2544000 724.2297 2099.2048 1965.2900 113.9757 -206015.6764 17739.0131 0.0000 0.0000 34113.8374 -149260.1256 297.9246 -183373.9631 -149160.1457 299.3347 -28.0812 4.7869 556692.5087 2.4318 2.6311 PRESSURE: 2544200 71.3241 149.592 -143.384 149.592 122.629 182.329 -143.385 182.33 -4.57172 GPRESSURE: 2544200 146.895 203.785 -98.5473 139.936 141.627 197.961 -102.356 128.211 -5.44552 PRESSAVG: 2544200 -41.2612 35.1407 2.82534 35.1407 33.8258 38.0099 2.82527 38.01 -0.207287 GPRESSAVG: 2544200 -41.6788 35.1996 4.01164 36.6127 36.5857 37.1127 3.32121 39.5693 -2.27244 TIMING: 2544200 CPU: 7372.85, 0.00290367/step Wall: 7372.85, 0.00290367/step, 1.98079 hours remaining, 209.867188 MB of memory in use. ENERGY: 2544200 764.9507 2125.3307 1967.5492 107.9345 -206798.5034 18066.5561 0.0000 0.0000 34476.9040 -149289.2781 301.0954 -183766.1821 -149185.7599 299.5217 63.1272 94.3590 556982.2720 -2.5476 -2.4552 LDB: ============= START OF LOAD BALANCING ============== 7376.24 LDB: ============== END OF LOAD BALANCING =============== 7376.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7376.24 LDB: ============= START OF LOAD BALANCING ============== 7376.53 LDB: Largest compute 4794 load 0.023742 is 20.1% of average load 0.117927 LDB: Average compute 0.001739 is 1.5% of average load 0.117927 LDB: TIME 7376.53 LOAD: AVG 0.117927 MAX 0.179593 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.332 MB LDB: TIME 7376.53 LOAD: AVG 0.117927 MAX 0.179593 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.371 MB LDB: TIME 7376.53 LOAD: AVG 0.117927 MAX 0.179593 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.371 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7376.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7376.54 PRESSURE: 2544400 -214.714 137.851 82.4501 137.85 -16.7863 -76.0673 82.4502 -76.066 -37.7262 GPRESSURE: 2544400 -244.547 78.7803 5.43826 182.316 37.1983 -139.735 64.7295 -100.67 52.325 PRESSAVG: 2544400 -23.0364 7.41104 5.24018 7.41086 -50.1734 -4.84546 5.24005 -4.84542 69.7424 GPRESSAVG: 2544400 -21.8115 6.33402 3.47018 7.95557 -52.1586 -2.85405 7.38529 -5.9573 71.477 TIMING: 2544400 CPU: 7373.44, 0.00294601/step Wall: 7373.44, 0.00294601/step, 2.00951 hours remaining, 209.160156 MB of memory in use. ENERGY: 2544400 718.5900 2155.7360 1960.3403 119.4345 -205997.1578 17598.6624 0.0000 0.0000 34250.4567 -149193.9380 299.1178 -183444.3947 -149094.7550 299.5991 -89.7423 -51.6746 557487.4489 -1.1558 -0.8310 PRESSURE: 2544600 -213.247 -142.634 -81.9397 -142.632 5.84489 -4.54086 -81.9402 -4.54041 -16.8708 GPRESSURE: 2544600 -157.537 -116.182 -94.2604 -132.974 -11.974 0.288272 -91.1001 -7.31378 41.3693 PRESSAVG: 2544600 -16.0608 -8.52971 3.92662 -8.52966 18.2789 52.8256 3.92666 52.8255 27.4957 GPRESSAVG: 2544600 -17.429 -7.92942 6.45521 -10.225 19.6783 53.1376 3.59264 51.4254 27.1089 TIMING: 2544600 CPU: 7374.02, 0.00287915/step Wall: 7374.02, 0.00287915/step, 1.96374 hours remaining, 209.160156 MB of memory in use. ENERGY: 2544600 728.4922 2082.3428 1963.7707 106.5204 -205802.9328 17572.1156 0.0000 0.0000 34248.6774 -149101.0137 299.1022 -183349.6910 -149001.7245 299.7985 -74.7577 -42.7140 558628.0673 9.9046 9.7860 PRESSURE: 2544800 -137.419 111.851 19.3145 111.851 -18.6525 -56.6643 19.3143 -56.663 -411.783 GPRESSURE: 2544800 -25.0112 52.5581 74.6828 68.0623 -31.4897 -45.0391 -49.0821 -40.6547 -405.862 PRESSAVG: 2544800 33.1083 -3.5149 -16.6762 -3.51495 51.7742 -1.40888 -16.6762 -1.40878 -73.3309 GPRESSAVG: 2544800 33.2088 -4.80491 -18.9995 -3.71373 51.575 -2.00245 -14.7558 0.704486 -73.5661 TIMING: 2544800 CPU: 7374.6, 0.00290057/step Wall: 7374.6, 0.00290057/step, 1.97819 hours remaining, 209.160156 MB of memory in use. ENERGY: 2544800 738.7585 2061.4649 1944.7393 117.7576 -205984.9817 17590.1703 0.0000 0.0000 34463.0725 -149069.0186 300.9746 -183532.0911 -148967.7589 300.0393 -189.2850 -154.1210 559301.5323 3.8505 3.7393 PRESSURE: 2545000 88.5976 71.1895 126.801 71.1912 -154.699 35.5623 126.801 35.5624 -136.133 GPRESSURE: 2545000 108.684 40.7719 205.394 145.498 -109.664 28.7293 109.046 73.1612 -111.249 PRESSAVG: 2545000 -43.4209 19.1907 11.049 19.1908 -20.3707 13.8815 11.049 13.8814 62.926 GPRESSAVG: 2545000 -41.4389 19.5839 12.7299 20.7174 -21.0458 14.0436 7.12362 15.5609 61.5599 TIMING: 2545000 CPU: 7375.17, 0.00288432/step Wall: 7375.17, 0.00288432/step, 1.96695 hours remaining, 209.160156 MB of memory in use. ENERGY: 2545000 742.5935 2071.6748 1981.7124 107.9034 -206265.9599 17823.1720 0.0000 0.0000 34504.6298 -149034.2740 301.3375 -183538.9037 -148928.9866 300.2664 -67.4115 -37.4096 557911.1660 -0.2885 -0.3083 PRESSURE: 2545200 270.972 68.127 -38.3275 68.1272 161.756 -193.38 -38.3273 -193.38 -282.048 GPRESSURE: 2545200 285.929 62.7334 -0.228705 121.907 143.366 -154.341 -39.4678 -265.535 -176.656 PRESSAVG: 2545200 44.6558 -31.0962 -1.08424 -31.0962 20.8216 9.89697 -1.08424 9.89708 -16.2816 GPRESSAVG: 2545200 43.2038 -30.0348 -2.10147 -30.7631 20.8567 9.65468 0.884503 9.23059 -14.7691 TIMING: 2545200 CPU: 7375.75, 0.00288525/step Wall: 7375.75, 0.00288525/step, 1.96742 hours remaining, 209.160156 MB of memory in use. ENERGY: 2545200 741.0780 2072.9457 1947.9868 107.9921 -205969.8265 17835.8490 0.0000 0.0000 34441.0035 -148822.9713 300.7818 -183263.9747 -148735.0228 300.6462 50.2268 84.2129 558014.8722 16.3986 16.4305 PRESSURE: 2545400 -465.503 -6.72705 -14.2088 -6.72825 -127.259 -80.134 -14.2083 -80.1338 -340.061 GPRESSURE: 2545400 -414.805 9.45339 56.0336 69.3027 -95.7187 -172.182 -13.6115 -61.8243 -322.535 PRESSAVG: 2545400 19.6068 22.6425 31.1446 22.6425 -10.3575 -37.2558 31.1446 -37.2557 4.73768 GPRESSAVG: 2545400 19.9661 19.8261 30.93 22.4048 -10.1062 -38.4388 29.678 -37.0597 4.49721 TIMING: 2545400 CPU: 7376.33, 0.00288917/step Wall: 7376.33, 0.00288917/step, 1.96993 hours remaining, 209.160156 MB of memory in use. ENERGY: 2545400 785.7415 2111.8951 1958.8240 123.7644 -205491.8193 17299.4628 0.0000 0.0000 34305.9860 -148906.1455 299.6027 -183212.1315 -148806.1594 300.7635 -310.9412 -277.6862 559393.2081 4.6623 4.7857 PRESSURE: 2545600 125.891 -93.4078 74.1983 -93.4085 99.9401 8.64513 74.1984 8.64539 43.3772 GPRESSURE: 2545600 143.755 -72.2484 48.8393 -123.361 187.343 -60.3321 32.4515 108.863 42.1486 PRESSAVG: 2545600 69.2601 -3.08557 5.30322 -3.08565 -7.04292 -56.9472 5.30326 -56.9472 -33.8413 GPRESSAVG: 2545600 69.5777 -2.63638 7.0897 -3.69206 -6.58808 -55.5313 4.879 -58.0484 -34.0802 TIMING: 2545600 CPU: 7376.91, 0.00289313/step Wall: 7376.91, 0.00289313/step, 1.97247 hours remaining, 209.160156 MB of memory in use. ENERGY: 2545600 740.1112 2048.6098 1949.4904 120.5112 -205966.5057 17749.5836 0.0000 0.0000 34577.9868 -148780.2126 301.9782 -183358.1994 -148686.0374 300.1633 89.7360 124.4154 557282.6429 9.4586 9.6364 PRESSURE: 2545800 -309.574 114.919 5.38719 114.919 -7.32668 151.556 5.38737 151.555 -173.589 GPRESSURE: 2545800 -299.63 71.2495 15.3371 112.561 50.2783 133.616 -61.7093 133.485 -149.957 PRESSAVG: 2545800 17.1751 -6.3359 -28.9829 -6.33589 -22.5529 8.86627 -28.9828 8.8664 -20.1174 GPRESSAVG: 2545800 17.5828 -3.51451 -32.2553 -7.74794 -23.4836 9.02246 -25.815 8.52775 -19.8128 TIMING: 2545800 CPU: 7377.49, 0.00289783/step Wall: 7377.49, 0.00289783/step, 1.97552 hours remaining, 209.160156 MB of memory in use. ENERGY: 2545800 772.8957 2108.1961 1955.2410 108.9351 -205660.7119 17532.0242 0.0000 0.0000 34151.8224 -149031.5974 298.2564 -183183.4198 -148939.1448 300.2843 -163.4966 -133.1029 558255.2373 -8.4984 -8.5712 PRESSURE: 2546000 -206.359 29.053 128.102 29.053 96.3656 -2.09413 128.101 -2.0955 41.965 GPRESSURE: 2546000 -142.333 74.8748 79.9167 52.7331 161.923 -52.8968 104.6 48.5532 11.4929 PRESSAVG: 2546000 -33.534 -4.18675 -14.3095 -4.18677 8.48804 22.2946 -14.3094 22.2946 -9.77826 GPRESSAVG: 2546000 -34.9926 -7.1176 -12.3768 -0.691093 10.5208 21.2366 -16.1389 24.5824 -9.85167 TIMING: 2546000 CPU: 7378.07, 0.00290036/step Wall: 7378.07, 0.00290036/step, 1.97708 hours remaining, 209.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2546000 738.9530 2119.4911 1969.1835 119.2203 -206279.8582 17859.3957 0.0000 0.0000 34346.4065 -149127.2081 299.9557 -183473.6146 -149022.5058 299.1830 -22.6761 10.3612 556541.4514 -11.6081 -11.4411 PRESSURE: 2546200 -2.49846 14.7308 2.30172 14.7305 -275.702 -69.8512 2.30112 -69.849 120.789 GPRESSURE: 2546200 65.7476 -19.2814 31.1737 -10.0102 -181.142 -50.9643 -18.1464 -157.944 65.6583 PRESSAVG: 2546200 23.5846 4.54068 34.1592 4.54066 -44.5508 24.2751 34.1592 24.2752 53.546 GPRESSAVG: 2546200 24.8184 3.61102 33.2853 3.45216 -45.9539 25.5338 34.2241 20.4437 53.9708 TIMING: 2546200 CPU: 7378.64, 0.00288862/step Wall: 7378.64, 0.00288862/step, 1.96892 hours remaining, 209.160156 MB of memory in use. ENERGY: 2546200 739.9158 2103.8319 1974.6723 126.8898 -206264.6784 17731.4176 0.0000 0.0000 34379.8711 -149208.0799 300.2480 -183587.9510 -149117.7414 299.4961 -52.4702 -16.5787 555660.9032 10.8599 10.9451 PRESSURE: 2546400 -205.841 22.0135 76.3114 22.0129 -45.1858 27.7901 76.3104 27.7917 -73.8421 GPRESSURE: 2546400 -137.528 4.86382 75.8421 7.07307 -33.6723 -63.0853 103.975 165.507 -51.0741 PRESSAVG: 2546400 0.598902 24.9157 24.0044 24.9158 -45.437 4.04771 24.0045 4.04771 48.1946 GPRESSAVG: 2546400 -0.145444 24.7251 24.6004 25.4818 -43.1247 4.78595 24.0526 4.39302 46.383 TIMING: 2546400 CPU: 7379.23, 0.00291127/step Wall: 7379.23, 0.00291127/step, 1.98419 hours remaining, 209.160156 MB of memory in use. ENERGY: 2546400 731.5682 2135.8218 1943.7320 126.1003 -205898.2262 17635.7076 0.0000 0.0000 34006.9943 -149318.3021 296.9915 -183325.2964 -149220.4829 298.9753 -108.2897 -74.0916 556678.9779 1.1188 1.0376 PRESSURE: 2546600 13.5748 95.4017 23.1302 95.402 -73.8927 -108.082 23.1301 -108.081 180.663 GPRESSURE: 2546600 2.27448 112.511 15.0959 125.382 -31.5312 17.6014 -108.387 -137.038 247.85 PRESSAVG: 2546600 -4.79654 37.452 17.1978 37.452 -46.5837 -10.82 17.1977 -10.8199 81.2671 GPRESSAVG: 2546600 -4.67657 38.8927 19.6707 36.2695 -48.8096 -11.7241 16.9825 -9.17098 83.1226 TIMING: 2546600 CPU: 7379.81, 0.0029121/step Wall: 7379.81, 0.0029121/step, 1.9846 hours remaining, 209.160156 MB of memory in use. ENERGY: 2546600 738.1316 2066.7768 1929.3697 120.2680 -206330.8040 17829.6243 0.0000 0.0000 34241.2806 -149405.3530 299.0376 -183646.6336 -149303.0677 298.6152 40.1150 72.8645 556709.7110 9.9623 9.8788 PRESSURE: 2546800 -2.63871 49.8082 -118.479 49.8062 -141.342 45.0507 -118.478 45.0498 -57.0478 GPRESSURE: 2546800 38.6104 -8.98841 -142.774 132.45 -104.286 78.8027 -29.5653 1.94318 -34.2607 PRESSAVG: 2546800 34.3324 -8.39815 -1.22866 -8.39818 23.7979 35.9422 -1.22863 35.9423 -74.4972 GPRESSAVG: 2546800 35.2169 -9.72869 -6.74823 -7.72371 22.6632 36.0334 1.16774 34.3508 -75.0751 TIMING: 2546800 CPU: 7380.39, 0.00291552/step Wall: 7380.39, 0.00291552/step, 1.98677 hours remaining, 209.160156 MB of memory in use. ENERGY: 2546800 727.2373 2033.4807 1950.9200 108.6961 -206454.9276 17813.4194 0.0000 0.0000 34284.9457 -149536.2284 299.4190 -183821.1742 -149435.0397 298.4174 -67.0094 -33.3121 557768.0328 -5.4556 -5.7317 PRESSURE: 2547000 118.618 215.287 -71.2036 215.286 150.151 -64.1186 -71.2038 -64.1193 -233.166 GPRESSURE: 2547000 132.868 185.828 -133.901 133.471 182.839 -73.6169 -38.8163 -30.7871 -199.499 PRESSAVG: 2547000 -7.62974 8.85668 -0.272872 8.85664 41.4854 15.1425 -0.272809 15.1425 -41.2411 GPRESSAVG: 2547000 -7.6691 10.6254 3.70928 6.98342 42.7756 17.2597 -2.77938 16.6434 -42.2529 TIMING: 2547000 CPU: 7380.97, 0.00288038/step Wall: 7380.97, 0.00288038/step, 1.96266 hours remaining, 209.160156 MB of memory in use. ENERGY: 2547000 729.9756 2121.4052 1927.3630 120.1051 -206395.7766 17812.0298 0.0000 0.0000 34282.4669 -149402.4310 299.3973 -183684.8979 -149312.9601 298.2828 11.8673 38.7360 556865.4850 -2.4618 -2.3821 PRESSURE: 2547200 -78.9777 -164.819 -7.75834 -164.819 97.8504 33.1591 -7.76008 33.1591 27.3814 GPRESSURE: 2547200 -53.2465 -148.476 14.992 -205.045 139.212 -65.5852 -92.1001 57.5439 64.5006 PRESSAVG: 2547200 -36.5386 -2.03145 -8.62571 -2.03131 50.2675 -2.03346 -8.62573 -2.03361 -5.82808 GPRESSAVG: 2547200 -37.5887 -1.60327 -10.5731 -2.25104 49.9346 -4.86091 -9.53091 -1.07268 -4.48116 TIMING: 2547200 CPU: 7381.54, 0.00288406/step Wall: 7381.54, 0.00288406/step, 1.96501 hours remaining, 209.160156 MB of memory in use. ENERGY: 2547200 781.5318 2094.3060 1931.2183 104.4970 -206526.7727 17932.2286 0.0000 0.0000 34290.9889 -149392.0020 299.4717 -183682.9909 -149298.6780 299.1762 15.4180 50.1555 556159.7278 2.6336 2.6216 PRESSURE: 2547400 -263.614 71.8178 26.2899 71.8194 3.69523 -109.722 26.2909 -109.722 97.2694 GPRESSURE: 2547400 -203.596 129.843 125.932 14.954 70.0115 -137.353 -26.5969 -92.4869 68.7018 PRESSAVG: 2547400 -14.6174 -63.6372 24.4081 -63.6372 31.8029 -39.3197 24.4081 -39.3197 -4.27727 GPRESSAVG: 2547400 -13.7594 -64.4248 24.7082 -63.7384 30.8049 -40.2629 26.7027 -39.637 -3.6471 TIMING: 2547400 CPU: 7382.12, 0.00289735/step Wall: 7382.12, 0.00289735/step, 1.9739 hours remaining, 209.160156 MB of memory in use. ENERGY: 2547400 759.2756 2134.9630 1936.5471 116.9574 -206056.9428 17685.7531 0.0000 0.0000 34102.9140 -149320.5325 297.8292 -183423.4465 -149219.6784 298.3737 -54.2164 -21.6276 557029.0884 4.3028 4.4661 PRESSURE: 2547600 -291.896 59.7547 15.3895 59.7537 82.4094 20.5813 15.3872 20.5794 106.469 GPRESSURE: 2547600 -224.074 44.0405 78.6286 81.1048 110.51 24.1563 21.115 36.4973 115.146 PRESSAVG: 2547600 -19.6121 3.68191 6.93742 3.68193 -13.3088 28.6392 6.93746 28.6392 49.4538 GPRESSAVG: 2547600 -20.4776 3.18578 6.38319 5.24909 -13.6813 29.7126 4.73233 27.5443 50.3006 TIMING: 2547600 CPU: 7382.7, 0.00288084/step Wall: 7382.7, 0.00288084/step, 1.96249 hours remaining, 209.160156 MB of memory in use. ENERGY: 2547600 758.9949 2078.0156 1964.4840 116.0993 -206381.0470 17915.1064 0.0000 0.0000 34051.4181 -149496.9287 297.3795 -183548.3468 -149391.0291 298.4528 -34.3394 0.5272 557137.1361 5.5110 5.3806 PRESSURE: 2547800 96.6278 -113.976 212.593 -113.975 -380.941 -142.204 212.593 -142.205 -283.783 GPRESSURE: 2547800 96.093 -122.104 136.611 -43.0371 -369.074 -213.309 191.195 -82.6563 -189.598 PRESSAVG: 2547800 62.6417 5.76324 55.4002 5.76315 -37.1723 65.6519 55.4002 65.6517 -47.6939 GPRESSAVG: 2547800 62.978 3.95952 54.015 6.23385 -36.4859 62.4174 56.0356 67.3159 -48.4147 TIMING: 2547800 CPU: 7383.28, 0.0029228/step Wall: 7383.28, 0.00292279/step, 1.99091 hours remaining, 209.160156 MB of memory in use. ENERGY: 2547800 776.0056 2091.8462 1942.5153 121.9784 -206052.0403 17595.7164 0.0000 0.0000 34084.3465 -149439.6318 297.6671 -183523.9783 -149336.7138 298.0651 -189.3654 -154.1931 557602.0888 -7.4082 -7.3075 PRESSURE: 2548000 -219.168 -138.497 214.143 -138.497 -232.975 77.7324 214.142 77.7321 88.532 GPRESSURE: 2548000 -138.767 -106.234 229.015 -167.102 -229.24 40.1952 198.542 84.4727 98.2385 PRESSAVG: 2548000 -50.4265 70.079 27.753 70.0789 -2.60706 -34.32 27.7528 -34.32 21.8624 GPRESSAVG: 2548000 -49.4032 71.1174 28.1166 71.256 -2.96204 -31.7217 28.9959 -36.3961 21.3407 TIMING: 2548000 CPU: 7383.86, 0.00289198/step Wall: 7383.86, 0.00289198/step, 1.96976 hours remaining, 209.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2548000 762.0600 2082.9540 1925.8437 110.3047 -206243.2405 17822.0697 0.0000 0.0000 34398.0022 -149142.0063 300.4063 -183540.0085 -149039.3932 298.5418 -121.2037 -89.9228 557816.1189 -10.3904 -10.3415 PRESSURE: 2548200 209.356 68.5289 -178.422 68.5285 171.503 135.136 -178.422 135.137 230.318 GPRESSURE: 2548200 219.893 43.5283 -188.094 33.5983 266.033 135.12 -179.889 122.976 222.29 PRESSAVG: 2548200 -81.122 -10.7763 61.7207 -10.7763 63.619 9.46102 61.7208 9.46093 31.6474 GPRESSAVG: 2548200 -82.6718 -9.67098 63.8127 -13.0928 65.1401 9.71983 61.1971 8.90895 31.4641 TIMING: 2548200 CPU: 7384.44, 0.00289633/step Wall: 7384.44, 0.00289633/step, 1.97256 hours remaining, 209.160156 MB of memory in use. ENERGY: 2548200 743.2204 2094.4085 1965.3978 116.7694 -206452.5446 18152.7248 0.0000 0.0000 34222.9601 -149157.0635 298.8776 -183380.0236 -149062.3696 299.8013 203.7260 236.0723 557613.9234 4.7148 4.6441 LDB: ============= START OF LOAD BALANCING ============== 7387.83 LDB: ============== END OF LOAD BALANCING =============== 7387.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7387.83 LDB: ============= START OF LOAD BALANCING ============== 7388.12 LDB: Largest compute 4800 load 0.022153 is 18.8% of average load 0.117924 LDB: Average compute 0.001746 is 1.5% of average load 0.117924 LDB: TIME 7388.12 LOAD: AVG 0.117924 MAX 0.177534 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.809 MB LDB: TIME 7388.12 LOAD: AVG 0.117924 MAX 0.177534 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.809 MB LDB: TIME 7388.12 LOAD: AVG 0.117924 MAX 0.177534 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7388.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7388.13 PRESSURE: 2548400 -95.1868 -92.8424 29.812 -92.842 -10.6985 130.224 29.8121 130.226 118.487 GPRESSURE: 2548400 -68.3377 -202.83 -4.93203 -25.4843 39.1487 76.3571 66.623 117.103 130.947 PRESSAVG: 2548400 -85.0639 29.5956 51.8852 29.5955 5.25046 -15.0008 51.8851 -15.0009 50.4963 GPRESSAVG: 2548400 -84.6387 27.4427 52.1688 30.9473 5.37313 -16.5705 52.3145 -14.3884 50.0906 TIMING: 2548400 CPU: 7385.03, 0.00294106/step Wall: 7385.03, 0.00294106/step, 2.00286 hours remaining, 209.812500 MB of memory in use. ENERGY: 2548400 757.5818 2096.3336 1943.1191 106.6963 -206243.7404 17870.8454 0.0000 0.0000 34252.9856 -149216.1787 299.1398 -183469.1642 -149118.0758 299.0829 4.2007 33.9194 558263.7608 -9.7724 -9.7250 PRESSURE: 2548600 -306.9 -22.6632 52.4876 -22.6633 -147.592 -27.8547 52.4863 -27.856 -149.998 GPRESSURE: 2548600 -320.391 -42.6501 93.8501 -30.6143 -151.84 -108.33 101.483 -0.97688 -41.7998 PRESSAVG: 2548600 -51.2305 -19.3065 32.8724 -19.3064 -44.4098 46.262 32.8724 46.2621 53.2938 GPRESSAVG: 2548600 -49.6843 -19.0941 30.797 -19.6131 -45.036 47.7674 34.203 45.5824 52.3151 TIMING: 2548600 CPU: 7385.61, 0.00288161/step Wall: 7385.61, 0.00288161/step, 1.96222 hours remaining, 209.812500 MB of memory in use. ENERGY: 2548600 750.5248 2087.6756 1956.4397 106.1966 -205764.8275 17536.5286 0.0000 0.0000 34134.5351 -149192.9271 298.1054 -183327.4622 -149095.1176 299.4377 -201.4965 -171.3436 559356.9209 -14.1155 -14.1351 PRESSURE: 2548800 -188.169 -24.3061 231.104 -24.3061 -46.7381 -64.385 231.104 -64.3851 190.693 GPRESSURE: 2548800 -124.08 -96.4535 303.166 12.259 -63.045 -37.1375 145.527 1.85755 247.188 PRESSAVG: 2548800 -87.1773 -14.8692 50.86 -14.8692 -27.2019 2.54966 50.86 2.54963 76.5787 GPRESSAVG: 2548800 -87.5086 -13.2088 52.3733 -15.3233 -28.8878 2.49161 48.6791 4.23012 77.8812 TIMING: 2548800 CPU: 7386.18, 0.00287755/step Wall: 7386.18, 0.00287755/step, 1.95929 hours remaining, 209.812500 MB of memory in use. ENERGY: 2548800 776.0535 2073.9300 1931.7909 117.0228 -205912.0002 17744.7694 0.0000 0.0000 34129.5914 -149138.8422 298.0622 -183268.4336 -149046.4817 298.9935 -14.7378 20.0211 557972.4670 -12.6002 -12.8384 PRESSURE: 2549000 14.6703 50.1058 -123.502 50.1056 -99.6943 92.3209 -123.502 92.3198 -100.794 GPRESSURE: 2549000 48.1668 -40.8133 -86.4428 6.92317 -45.5658 120.303 -94.2041 61.2293 -94.9483 PRESSAVG: 2549000 -108.313 -7.12591 31.8231 -7.12574 -16.2566 8.22828 31.8231 8.22827 87.4025 GPRESSAVG: 2549000 -109.546 -9.88461 32.3322 -7.70525 -14.2736 8.71711 31.6496 7.80313 86.445 TIMING: 2549000 CPU: 7386.76, 0.0028799/step Wall: 7386.76, 0.0028799/step, 1.96073 hours remaining, 209.812500 MB of memory in use. ENERGY: 2549000 769.0936 2101.0668 1944.0394 123.5690 -206204.7261 17846.2512 0.0000 0.0000 34258.0088 -149162.6974 299.1837 -183420.7062 -149057.0572 299.3586 -61.9393 -30.7824 556570.0164 -12.3890 -12.4582 PRESSURE: 2549200 -148.722 26.1109 -117.846 26.1103 71.9236 -111.975 -117.846 -111.976 41.1708 GPRESSURE: 2549200 -162.393 42.8104 -58.4362 -38.3638 70.0311 -195.403 -107.399 -42.7731 150.849 PRESSAVG: 2549200 -35.4591 -50.4914 -73.4764 -50.4913 14.4734 -34.6654 -73.4764 -34.6654 -8.10655 GPRESSAVG: 2549200 -35.8115 -48.7317 -73.7151 -49.658 13.5568 -36.0118 -72.8684 -33.5665 -6.63515 TIMING: 2549200 CPU: 7387.34, 0.00288624/step Wall: 7387.34, 0.00288624/step, 1.96489 hours remaining, 209.812500 MB of memory in use. ENERGY: 2549200 783.4922 2089.8672 1953.2293 113.3016 -206286.4331 17757.1920 0.0000 0.0000 34335.6665 -149253.6843 299.8619 -183589.3508 -149159.8470 299.2838 -11.8759 19.4957 557794.0962 -9.6974 -9.6299 PRESSURE: 2549400 158.07 58.5529 -17.589 58.5531 270.495 67.9968 -17.5896 67.9975 -7.68489 GPRESSURE: 2549400 207.321 7.61367 -108.963 64.1321 317.69 -0.00338021 -48.7963 -10.2802 -5.06502 PRESSAVG: 2549400 -31.95 5.96503 1.33419 5.96503 16.6813 -3.47073 1.33423 -3.47058 17.6913 GPRESSAVG: 2549400 -31.2357 7.82962 0.776859 4.80128 16.8778 -1.80483 0.994775 -6.22499 17.2371 TIMING: 2549400 CPU: 7387.92, 0.00291158/step Wall: 7387.92, 0.00291158/step, 1.98197 hours remaining, 209.812500 MB of memory in use. ENERGY: 2549400 735.7635 2114.1202 1943.8097 115.0272 -206425.8363 18022.5163 0.0000 0.0000 34250.6896 -149243.9097 299.1198 -183494.5993 -149149.9323 299.7129 140.2937 173.3153 556248.2830 0.8075 0.9598 PRESSURE: 2549600 -66.0864 -33.5264 -29.5119 -33.526 89.5393 159.343 -29.5122 159.342 23.707 GPRESSURE: 2549600 -18.9572 -49.0338 -3.68088 -41.0345 79.0141 178.496 -55.2155 144.182 78.8627 PRESSAVG: 2549600 -56.3942 -74.4567 -27.9751 -74.4567 75.0337 -8.41297 -27.9752 -8.41294 -14.8598 GPRESSAVG: 2549600 -56.2301 -73.6318 -29.1225 -73.7173 74.2987 -8.23297 -28.186 -8.26553 -14.9932 TIMING: 2549600 CPU: 7388.5, 0.00289203/step Wall: 7388.5, 0.00289203/step, 1.96851 hours remaining, 209.812500 MB of memory in use. ENERGY: 2549600 759.2968 2085.0654 1958.0179 115.8878 -206293.2555 17943.7673 0.0000 0.0000 34298.8863 -149132.3340 299.5407 -183431.2203 -149040.3270 299.6297 15.7200 46.3065 557779.3361 1.2599 1.0251 PRESSURE: 2549800 -206.77 -3.10251 -177.265 -3.10279 -77.0285 -20.2867 -177.264 -20.2851 27.577 GPRESSURE: 2549800 -130.098 51.6662 -141.37 -10.511 -32.5495 -49.4546 -221.587 -36.7872 22.4737 PRESSAVG: 2549800 -10.5796 46.4165 -58.4278 46.4166 73.2794 -31.0339 -58.4278 -31.034 -11.8043 GPRESSAVG: 2549800 -10.1583 46.8821 -55.4141 46.1054 73.3188 -30.6394 -57.9724 -31.708 -12.3869 TIMING: 2549800 CPU: 7389.07, 0.00287419/step Wall: 7389.07, 0.00287419/step, 1.95621 hours remaining, 209.812500 MB of memory in use. ENERGY: 2549800 742.1824 2110.0358 1962.4179 110.3217 -205802.5404 17628.5555 0.0000 0.0000 34230.5027 -149018.5244 298.9435 -183249.0271 -148922.8375 300.0542 -85.4071 -46.7246 556973.0772 16.9652 16.9245 PRESSURE: 2550000 -58.1388 -52.8642 -42.9798 -52.8639 -179.655 -95.0649 -42.9792 -95.0654 -349.275 GPRESSURE: 2550000 -0.01921 -62.6834 -134.113 -127.875 -194.142 -56.2934 -19.6333 -31.9465 -285.239 PRESSAVG: 2550000 -3.55697 -43.8704 -8.7293 -43.8703 -4.23788 -9.32413 -8.72941 -9.32401 19.1232 GPRESSAVG: 2550000 -3.49509 -44.2908 -10.9164 -43.8891 -4.16906 -10.1724 -9.17667 -8.46164 19.0757 TIMING: 2550000 CPU: 7389.65, 0.00288973/step Wall: 7389.65, 0.00288973/step, 1.96662 hours remaining, 209.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2550000 738.1832 2165.8881 1939.7644 118.3954 -205535.3763 17445.8568 0.0000 0.0000 34271.4308 -148855.8577 299.3009 -183127.2885 -148758.6005 300.0263 -195.6896 -159.8002 557159.4382 3.7761 3.8038 PRESSURE: 2550200 -27.0247 29.1246 78.9376 29.1242 -116.444 144.634 78.9375 144.633 -91.6372 GPRESSURE: 2550200 -4.48521 -12.0742 44.8472 -2.47271 -74.0862 206.878 91.8025 67.0491 -67.2001 PRESSAVG: 2550200 49.0124 -29.5357 -30.5556 -29.5357 -12.029 75.941 -30.5556 75.941 -28.8045 GPRESSAVG: 2550200 48.4923 -29.2728 -29.4765 -32.1744 -11.3389 77.1948 -31.2041 77.1446 -29.2295 TIMING: 2550200 CPU: 7390.23, 0.00290665/step Wall: 7390.23, 0.00290665/step, 1.97798 hours remaining, 209.812500 MB of memory in use. ENERGY: 2550200 749.4348 2099.5883 1967.8378 112.0280 -205986.6538 17687.3701 0.0000 0.0000 34415.3538 -148955.0410 300.5578 -183370.3948 -148846.6397 300.1329 -78.3688 -48.5905 558296.3947 2.7263 2.6413 PRESSURE: 2550400 9.45535 -4.19406 85.5194 -4.196 -205.469 28.777 85.5194 28.7774 -59.497 GPRESSURE: 2550400 28.1312 -62.4202 14.3835 8.78165 -146.248 -18.7658 103.361 41.8642 -37.5894 PRESSAVG: 2550400 50.6913 -24.7865 -19.9382 -24.7865 -10.8669 -22.7525 -19.9383 -22.7525 -12.0568 GPRESSAVG: 2550400 50.9553 -25.4296 -20.267 -24.4828 -10.4032 -23.3029 -18.2809 -23.0042 -12.5913 TIMING: 2550400 CPU: 7390.81, 0.00288833/step Wall: 7390.81, 0.00288833/step, 1.96535 hours remaining, 209.812500 MB of memory in use. ENERGY: 2550400 741.6406 2076.4954 1972.4136 124.3611 -206015.4670 17745.5574 0.0000 0.0000 34378.7787 -148976.2202 300.2384 -183354.9989 -148877.5137 300.3453 -85.1702 -51.9020 558095.7522 9.2559 9.3203 PRESSURE: 2550600 137.765 107.763 -135.384 107.764 -93.9452 73.535 -135.383 73.5344 129.264 GPRESSURE: 2550600 151.515 1.55358 -125.384 133.142 -26.7242 -18.7113 -153.129 106.714 140.891 PRESSAVG: 2550600 60.255 -2.47287 21.6204 -2.47289 -78.6118 -35.8926 21.6204 -35.8926 0.78519 GPRESSAVG: 2550600 59.6005 -2.98316 22.8089 -1.88151 -79.869 -34.6599 19.0558 -35.9263 2.43186 TIMING: 2550600 CPU: 7391.39, 0.00288836/step Wall: 7391.39, 0.00288836/step, 1.96521 hours remaining, 209.812500 MB of memory in use. ENERGY: 2550600 732.3467 2152.1908 1933.0675 108.7186 -206357.5080 17908.6234 0.0000 0.0000 34371.7844 -149150.7767 300.1773 -183522.5611 -149061.3250 300.0708 57.6945 88.5606 557583.4693 -5.8572 -5.9455 PRESSURE: 2550800 96.1186 -109.823 75.5886 -109.822 -82.8166 -94.4765 75.5888 -94.4763 -54.0962 GPRESSURE: 2550800 128.678 -64.4873 55.8503 -51.0164 -57.3465 -24.4655 43.9171 -69.975 -10.5198 PRESSAVG: 2550800 4.25275 -12.1998 -7.7976 -12.1998 24.3867 2.04461 -7.79765 2.04449 -57.4793 GPRESSAVG: 2550800 5.01065 -10.1895 -8.40348 -10.8482 23.9759 2.14445 -6.30031 1.32595 -58.1559 TIMING: 2550800 CPU: 7391.96, 0.00287822/step Wall: 7391.96, 0.00287822/step, 1.95815 hours remaining, 209.812500 MB of memory in use. ENERGY: 2550800 709.6099 2071.1489 1970.1945 113.4125 -206321.3444 17865.6763 0.0000 0.0000 34276.3489 -149314.9533 299.3439 -183591.3022 -149214.3365 299.2264 -13.5981 20.2707 558581.9959 -9.6133 -9.7231 PRESSURE: 2551000 98.3975 94.9686 168.316 94.9677 200 -104.604 168.317 -104.604 -154.752 GPRESSURE: 2551000 95.7239 73.0182 217.665 204.751 261.435 -158.116 96.2628 -60.0725 -116.578 PRESSAVG: 2551000 -13.3033 17.889 -55.5546 17.8891 8.54054 -18.6642 -55.5546 -18.6642 -27.1717 GPRESSAVG: 2551000 -14.0535 16.5067 -54.7324 17.4463 9.36538 -19.6668 -55.9536 -17.9817 -27.0765 TIMING: 2551000 CPU: 7392.54, 0.00289949/step Wall: 7392.54, 0.00289949/step, 1.97246 hours remaining, 209.812500 MB of memory in use. ENERGY: 2551000 729.7058 2106.4469 1941.4247 113.5580 -206049.5892 17714.1658 0.0000 0.0000 34131.3443 -149312.9437 298.0775 -183444.2881 -149221.0765 299.2621 47.8818 80.1937 557887.7906 -10.6448 -10.5882 PRESSURE: 2551200 -3.95602 -117.438 -67.2719 -117.437 83.2816 184.97 -67.2712 184.969 239.667 GPRESSURE: 2551200 57.2743 -50.0286 -82.8334 -153.626 78.6867 157.327 -67.2458 199.886 282.527 PRESSAVG: 2551200 89.8988 18.3454 -47.6559 18.3453 -40.2281 -5.5988 -47.6558 -5.59889 1.01302 GPRESSAVG: 2551200 89.6894 16.3824 -48.4205 18.0383 -40.0039 -5.85482 -47.3654 -6.37579 0.960184 TIMING: 2551200 CPU: 7393.12, 0.00291548/step Wall: 7393.12, 0.00291548/step, 1.98318 hours remaining, 209.812500 MB of memory in use. ENERGY: 2551200 725.4803 2086.7433 1957.8297 107.2883 -206178.8490 17949.8619 0.0000 0.0000 34191.5014 -149160.1443 298.6029 -183351.6456 -149060.3967 299.3065 106.3309 139.4960 558431.4892 16.8946 16.8819 PRESSURE: 2551400 -19.3407 -13.9486 32.4958 -13.9476 142.983 33.6281 32.4958 33.6264 -131.931 GPRESSURE: 2551400 44.8103 -30.3091 11.0119 -40.2639 147.877 15.1784 92.1642 106.932 -98.95 PRESSAVG: 2551400 21.3135 48.9634 2.06191 48.9634 -6.53569 57.4246 2.06195 57.4246 -15.8205 GPRESSAVG: 2551400 21.387 50.8113 0.668523 48.4151 -6.67001 55.9148 4.81323 57.419 -15.8873 TIMING: 2551400 CPU: 7393.7, 0.00290059/step Wall: 7393.7, 0.00290059/step, 1.97288 hours remaining, 209.812500 MB of memory in use. ENERGY: 2551400 718.0896 2092.9527 1926.1274 113.1771 -206257.1887 17952.4274 0.0000 0.0000 34393.2121 -149061.2024 300.3645 -183454.4144 -148973.1112 299.0316 -2.7627 31.2459 559375.5481 -0.3475 -0.3901 PRESSURE: 2551600 -76.666 -8.60896 0.524471 -8.60895 -53.2569 17.2071 0.52377 17.207 37.9139 GPRESSURE: 2551600 -45.5635 -61.3836 47.1657 -46.5717 -26.2365 98.0448 -82.3609 -10.1731 86.9458 PRESSAVG: 2551600 2.73846 -5.12872 -10.5264 -5.12867 -29.8325 46.3185 -10.5264 46.3186 15.5652 GPRESSAVG: 2551600 3.21865 -3.85468 -7.94006 -5.2433 -30.5015 48.3477 -13.5577 46.8979 15.544 TIMING: 2551600 CPU: 7394.28, 0.00288816/step Wall: 7394.28, 0.00288816/step, 1.96427 hours remaining, 209.812500 MB of memory in use. ENERGY: 2551600 737.7631 2068.0755 1952.5757 103.9103 -205981.0021 17725.1899 0.0000 0.0000 34264.6535 -149128.8341 299.2417 -183393.4876 -149024.1739 299.4976 -30.6697 5.0486 559631.4078 -3.8430 -3.9129 PRESSURE: 2551800 -86.2539 -162.817 -146.478 -162.817 -140.633 -150.094 -146.479 -150.093 -40.8098 GPRESSURE: 2551800 -82.8329 -92.7433 -160.303 -157.236 -57.2461 -160.415 -174.652 -200.289 -30.8822 PRESSAVG: 2551800 7.5882 -26.5791 41.8347 -26.579 -96.8514 -4.99348 41.8347 -4.99345 55.8292 GPRESSAVG: 2551800 7.48897 -28.2715 40.1247 -26.3123 -96.3183 -4.97934 43.9131 -5.29764 55.1526 TIMING: 2551800 CPU: 7394.86, 0.00288773/step Wall: 7394.86, 0.00288773/step, 1.96382 hours remaining, 209.812500 MB of memory in use. ENERGY: 2551800 762.0680 2071.9998 1951.3818 111.3688 -206091.4117 17734.3046 0.0000 0.0000 34289.2098 -149171.0789 299.4562 -183460.2887 -149070.4710 299.1792 -89.2322 -56.9871 559150.9416 -11.1447 -11.2255 PRESSURE: 2552000 -3.68911 -54.1428 13.238 -54.1434 -135.274 -124.263 13.2373 -124.262 -137.789 GPRESSURE: 2552000 14.5518 -41.1602 75.3562 -71.2366 -120.673 -138.412 -33.4727 -180.93 -62.0834 PRESSAVG: 2552000 74.5425 12.4743 -1.91699 12.4742 -83.6653 -32.972 -1.91713 -32.972 0.279567 GPRESSAVG: 2552000 74.9731 11.3989 -0.917676 13.0223 -83.4238 -34.0183 -1.93682 -33.8149 0.109153 TIMING: 2552000 CPU: 7395.44, 0.00289395/step Wall: 7395.44, 0.00289395/step, 1.96788 hours remaining, 209.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2552000 717.0590 2075.6386 1945.7655 112.5965 -205561.2657 17570.6685 0.0000 0.0000 34039.3782 -149100.1594 297.2744 -183139.5376 -149004.9477 299.1802 -92.2506 -56.0681 559182.0160 -2.9477 -2.7805 PRESSURE: 2552200 -174.108 -278.763 -51.819 -278.764 -73.6499 -33.4164 -51.8193 -33.4178 214.987 GPRESSURE: 2552200 -148.46 -239.729 -136.802 -206.867 21.1385 -60.0834 -67.2939 -39.9253 188.019 PRESSAVG: 2552200 37.6421 -31.461 59.6416 -31.461 -2.30927 -8.416 59.6417 -8.41595 14.777 GPRESSAVG: 2552200 36.8306 -29.941 59.3647 -31.2951 -1.48951 -9.14313 58.1024 -6.97831 15.4472 TIMING: 2552200 CPU: 7396.02, 0.00290062/step Wall: 7396.02, 0.00290062/step, 1.97226 hours remaining, 209.812500 MB of memory in use. ENERGY: 2552200 734.6464 2084.8878 1937.1061 113.9215 -206014.9690 17792.5387 0.0000 0.0000 34193.4992 -149158.3694 298.6203 -183351.8685 -149069.5494 298.9886 -10.9237 20.2326 559003.8159 16.7033 16.9295 LDB: ============= START OF LOAD BALANCING ============== 7399.41 LDB: ============== END OF LOAD BALANCING =============== 7399.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7399.41 LDB: ============= START OF LOAD BALANCING ============== 7399.7 LDB: Largest compute 4800 load 0.023109 is 19.6% of average load 0.117913 LDB: Average compute 0.001752 is 1.5% of average load 0.117913 LDB: TIME 7399.7 LOAD: AVG 0.117913 MAX 0.177255 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 7399.7 LOAD: AVG 0.117913 MAX 0.177255 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: TIME 7399.7 LOAD: AVG 0.117913 MAX 0.177255 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7399.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7399.71 PRESSURE: 2552400 41.9648 47.4841 -12.2858 47.4834 -160.136 32.5111 -12.2841 32.5089 -13.483 GPRESSURE: 2552400 4.48157 -12.0247 2.73723 59.2486 -95.0602 25.7891 -14.0507 53.2582 47.9243 PRESSAVG: 2552400 -65.1658 7.41434 -11.0406 7.41429 -5.12458 -10.1742 -11.0407 -10.1741 37.792 GPRESSAVG: 2552400 -64.8287 6.17802 -12.4342 7.87322 -4.73898 -8.39299 -11.4969 -9.90961 37.2067 TIMING: 2552400 CPU: 7396.61, 0.00296036/step Wall: 7396.61, 0.00296036/step, 2.01272 hours remaining, 210.261719 MB of memory in use. ENERGY: 2552400 732.0912 2102.1073 1956.0214 118.0872 -206385.0973 17796.5941 0.0000 0.0000 34683.4535 -148996.7425 302.8992 -183680.1960 -148898.8682 300.2099 -43.8846 -14.2181 556677.8646 -10.8328 -10.7870 PRESSURE: 2552600 -427.131 -142.996 -48.4299 -142.997 3.46079 -142.121 -48.4287 -142.12 151.282 GPRESSURE: 2552600 -388.448 -163.405 -52.1514 -91.2011 56.7881 -151.68 30.5589 -126.587 151.355 PRESSAVG: 2552600 -57.8785 -2.54299 -20.9893 -2.54297 45.902 -45.8542 -20.9893 -45.8542 34.7998 GPRESSAVG: 2552600 -59.1601 -1.81475 -20.1122 -0.886056 45.1896 -43.2441 -18.6739 -47.7955 36.6831 TIMING: 2552600 CPU: 7397.19, 0.00287827/step Wall: 7397.19, 0.00287827/step, 1.95674 hours remaining, 210.503906 MB of memory in use. ENERGY: 2552600 717.3141 2128.4371 1953.2365 117.9040 -205595.5706 17412.8288 0.0000 0.0000 34287.5768 -148978.2733 299.4419 -183265.8502 -148874.4120 301.2774 -90.7959 -60.1017 558088.2926 7.6078 7.5709 PRESSURE: 2552800 2.23639 2.49417 13.325 2.49341 81.9429 57.9781 13.3249 57.9777 142.705 GPRESSURE: 2552800 22.1339 -16.2579 79.1052 66.6077 81.7721 61.3961 24.542 102.531 222.927 PRESSAVG: 2552800 -83.7844 -19.9474 3.75677 -19.9474 41.4345 -11.8864 3.75666 -11.8863 48.8859 GPRESSAVG: 2552800 -82.405 -20.4799 3.73957 -21.3665 42.0575 -15.2195 3.46405 -11.562 46.8895 TIMING: 2552800 CPU: 7397.77, 0.00289711/step Wall: 7397.77, 0.00289711/step, 1.96939 hours remaining, 210.503906 MB of memory in use. ENERGY: 2552800 750.2338 2064.8827 1937.8279 123.3176 -206140.1538 17861.3851 0.0000 0.0000 34358.0205 -149044.4862 300.0571 -183402.5068 -148947.4311 299.9775 75.6281 108.9442 557111.2361 2.1787 2.1807 PRESSURE: 2553000 -242.386 218.777 118.023 218.776 37.7574 -107.143 118.023 -107.144 -260.159 GPRESSURE: 2553000 -189.579 243.334 51.5515 259.969 58.5298 -96.854 156.934 -118.792 -238.166 PRESSAVG: 2553000 3.75283 7.77721 -6.78056 7.7772 35.6595 7.21575 -6.78055 7.21582 -69.0078 GPRESSAVG: 2553000 2.60454 11.1114 -5.40744 6.13583 35.663 6.99015 -6.58472 8.01206 -67.5728 TIMING: 2553000 CPU: 7398.35, 0.00289789/step Wall: 7398.35, 0.00289789/step, 1.96976 hours remaining, 210.503906 MB of memory in use. ENERGY: 2553000 772.4212 2117.8988 1930.9737 116.8485 -205778.9282 17505.5599 0.0000 0.0000 34383.1649 -148952.0612 300.2767 -183335.2261 -148857.6090 300.0632 -154.9294 -123.0714 558869.0754 -9.8652 -9.7684 PRESSURE: 2553200 -190.304 59.6024 87.4956 59.6017 54.8927 -93.8835 87.496 -93.8852 -79.7421 GPRESSURE: 2553200 -129.408 34.4909 90.5844 109.308 102.143 -93.4655 -10.2321 -60.7174 -82.3368 PRESSAVG: 2553200 -25.7102 -65.1325 7.6498 -65.1325 -8.2519 -61.8301 7.64981 -61.83 28.4287 GPRESSAVG: 2553200 -23.9827 -66.9703 8.07101 -65.3038 -8.95637 -61.8122 7.57713 -62.1488 27.2898 TIMING: 2553200 CPU: 7398.92, 0.00287711/step Wall: 7398.92, 0.00287711/step, 1.95548 hours remaining, 210.503906 MB of memory in use. ENERGY: 2553200 780.2269 2106.4888 1962.3963 120.5619 -205828.0588 17672.9432 0.0000 0.0000 34233.5783 -148951.8635 298.9704 -183185.4418 -148861.6535 299.9214 -71.7177 -36.5338 556793.9963 -1.8445 -1.8831 PRESSURE: 2553400 89.1125 -149.041 -221.809 -149.039 -63.7877 -167.327 -221.809 -167.327 247.952 GPRESSURE: 2553400 149.118 -31.8354 -156.107 -176.961 0.82868 -171.083 -252.484 -182.783 239.783 PRESSAVG: 2553400 20.8424 -19.0814 2.94538 -19.0814 -10.2913 -63.5229 2.9454 -63.5228 18.2287 GPRESSAVG: 2553400 21.2686 -19.9417 1.24238 -19.2466 -9.41642 -63.2298 2.3721 -64.6338 17.4704 TIMING: 2553400 CPU: 7399.49, 0.00286902/step Wall: 7399.49, 0.00286902/step, 1.94982 hours remaining, 210.503906 MB of memory in use. ENERGY: 2553400 721.4363 2104.4625 1933.0915 111.2941 -206240.8000 18050.0910 0.0000 0.0000 34271.4785 -149048.9460 299.3013 -183320.4245 -148956.2452 299.3772 91.0924 129.9100 557598.8424 9.5933 9.7742 PRESSURE: 2553600 117.843 37.1826 -85.7111 37.1821 25.6841 38.5579 -85.7113 38.5587 270.088 GPRESSURE: 2553600 220.048 -18.3141 -175.085 149.924 49.5952 23.1172 -47.85 6.54943 246.884 PRESSAVG: 2553600 -4.42896 -0.746854 2.02886 -0.746912 -64.9932 -72.3895 2.02892 -72.3895 48.3405 GPRESSAVG: 2553600 -4.16976 -0.33648 1.82203 -0.318104 -65.4504 -71.7817 1.30847 -71.7626 48.3959 TIMING: 2553600 CPU: 7400.08, 0.0029119/step Wall: 7400.08, 0.00291189/step, 1.97879 hours remaining, 210.503906 MB of memory in use. ENERGY: 2553600 762.6446 2112.3401 1959.1858 117.0165 -206269.5062 17975.9132 0.0000 0.0000 34353.9404 -148988.4655 300.0215 -183342.4059 -148902.7345 299.3455 137.8717 172.1755 557624.6721 -7.0272 -7.0748 PRESSURE: 2553800 -217.408 -101.148 -35.96 -101.148 -316.849 -97.0516 -35.9596 -97.0525 -282.975 GPRESSURE: 2553800 -128.876 -89.7737 -48.96 -146.768 -305.071 -105.504 -33.6105 -140.195 -285.054 PRESSAVG: 2553800 -15.7472 -33.1019 -73.866 -33.1018 -5.93098 -69.7577 -73.8661 -69.7578 4.90479 GPRESSAVG: 2553800 -15.8761 -32.7402 -72.7156 -33.1965 -5.44722 -68.7758 -73.4586 -69.3457 4.60098 TIMING: 2553800 CPU: 7400.66, 0.00290564/step Wall: 7400.66, 0.00290564/step, 1.97438 hours remaining, 210.503906 MB of memory in use. ENERGY: 2553800 732.1388 2095.8316 1938.0666 110.0118 -205072.8381 17130.1730 0.0000 0.0000 34069.6625 -148996.9538 297.5388 -183066.6163 -148899.7028 299.3325 -272.4105 -239.6671 559145.2143 -5.5911 -5.5741 PRESSURE: 2554000 -154.495 178.843 14.0838 178.844 -501.556 -66.4297 14.0839 -66.4284 -528.347 GPRESSURE: 2554000 -189.449 81.6413 -19.4278 238.489 -465.465 -142.589 14.5794 -0.373185 -436.558 PRESSAVG: 2554000 -8.18857 -80.6203 -15.8847 -80.6203 -13.2288 -75.6309 -15.8847 -75.631 -20.882 GPRESSAVG: 2554000 -8.34994 -81.7435 -16.1461 -79.9435 -14.1274 -75.6642 -17.2365 -75.6423 -20.0575 TIMING: 2554000 CPU: 7401.24, 0.0029019/step Wall: 7401.24, 0.0029019/step, 1.97168 hours remaining, 210.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2554000 794.6992 2089.8103 1954.4897 123.9084 -205592.2080 17297.5062 0.0000 0.0000 34118.4362 -149213.3580 297.9648 -183331.7942 -149117.5687 299.2804 -394.7991 -363.8243 559893.3895 -14.0998 -14.1783 PRESSURE: 2554200 -107.422 129.297 30.839 129.297 -200.268 -121.921 30.8402 -121.922 -209.223 GPRESSURE: 2554200 -80.7521 117.694 5.83997 147.374 -213.27 -183.106 30.9188 -46.7093 -137.459 PRESSAVG: 2554200 53.5964 47.505 16.5056 47.505 -64.017 -69.4262 16.5056 -69.4262 7.65978 GPRESSAVG: 2554200 53.4287 48.8387 15.6835 46.8505 -63.7881 -70.0536 15.9645 -70.0679 7.64582 TIMING: 2554200 CPU: 7401.81, 0.00287994/step Wall: 7401.81, 0.00287994/step, 1.9566 hours remaining, 210.503906 MB of memory in use. ENERGY: 2554200 778.9943 2055.1004 1960.0170 119.9981 -205761.6274 17409.2342 0.0000 0.0000 34181.5568 -149256.7267 298.5160 -183438.2835 -149164.3968 299.5324 -172.3042 -143.8271 557871.9716 -0.9203 -0.9045 PRESSURE: 2554400 90.1703 -58.4275 -138.828 -58.4273 35.2684 -16.5425 -138.826 -16.5432 -53.1126 GPRESSURE: 2554400 140.308 10.4915 -138.489 -104.516 56.6535 -2.12013 -19.6566 -92.5784 -12.8501 PRESSAVG: 2554400 6.58023 -19.117 13.6465 -19.1169 -24.2395 -18.5548 13.6465 -18.5548 2.34463 GPRESSAVG: 2554400 6.2368 -17.7955 13.7938 -18.0545 -23.7721 -19.2657 14.8863 -19.0839 2.40615 TIMING: 2554400 CPU: 7402.4, 0.00290653/step Wall: 7402.4, 0.00290653/step, 1.97451 hours remaining, 210.503906 MB of memory in use. ENERGY: 2554400 749.7679 2082.0005 1970.0821 124.5093 -206262.5495 17797.0625 0.0000 0.0000 34220.7280 -149318.3993 298.8581 -183539.1272 -149215.3728 299.0030 24.1087 61.3706 556834.4017 -5.1049 -5.0430 PRESSURE: 2554600 56.2992 17.3365 -6.22415 17.3366 -237.824 -75.7524 -6.22402 -75.7521 -87.9374 GPRESSURE: 2554600 48.0232 68.1131 -14.2051 45.0769 -186.237 16.5059 -28.5711 -79.1683 -45.7688 PRESSAVG: 2554600 50.8292 9.1793 -6.81421 9.17937 -14.9886 16.9289 -6.81429 16.9288 -71.0765 GPRESSAVG: 2554600 50.1777 9.24066 -8.33851 7.63913 -14.0115 19.3416 -5.4554 14.68 -71.1231 TIMING: 2554600 CPU: 7402.97, 0.00289461/step Wall: 7402.97, 0.00289461/step, 1.96624 hours remaining, 210.503906 MB of memory in use. ENERGY: 2554600 739.4153 2146.8991 1965.1559 109.9650 -206063.5929 17692.5102 0.0000 0.0000 34000.7616 -149408.8859 296.9371 -183409.6475 -149311.4913 298.7153 -89.8206 -61.3274 555977.7261 -11.7453 -11.6523 PRESSURE: 2554800 -30.2439 -255.417 132.521 -255.416 -227.192 269.158 132.521 269.157 -83.9076 GPRESSURE: 2554800 27.8664 -211.826 72.9095 -241.453 -209.125 274.935 166.765 326.139 -69.1541 PRESSAVG: 2554800 -19.0732 -61.9927 6.72163 -61.9926 -56.4348 7.79293 6.72171 7.79287 76.7141 GPRESSAVG: 2554800 -18.0736 -64.5991 8.80895 -59.1954 -57.5686 4.71842 3.48221 11.1226 76.5023 TIMING: 2554800 CPU: 7403.55, 0.0028864/step Wall: 7403.55, 0.0028864/step, 1.9605 hours remaining, 210.503906 MB of memory in use. ENERGY: 2554800 705.8532 2080.8877 1949.9110 115.3037 -205912.5183 17633.0198 0.0000 0.0000 34093.4429 -149334.1001 297.7465 -183427.5429 -149236.9688 298.3536 -113.7812 -83.4709 557323.7725 0.4020 0.2867 PRESSURE: 2555000 101.712 -71.1215 103.591 -71.1213 -33.5933 -11.9405 103.591 -11.9395 -337.135 GPRESSURE: 2555000 86.4574 -25.3591 96.8077 -115.08 -31.0055 116.041 29.2308 -75.8922 -214.508 PRESSAVG: 2555000 9.66203 -18.9784 51.2137 -18.9784 -34.1497 5.3995 51.2138 5.3995 23.9034 GPRESSAVG: 2555000 9.06758 -18.8391 48.9844 -20.0931 -33.2608 5.46434 52.9289 4.69537 23.7825 TIMING: 2555000 CPU: 7404.13, 0.00290751/step Wall: 7404.13, 0.00290751/step, 1.97468 hours remaining, 210.503906 MB of memory in use. ENERGY: 2555000 725.7216 2099.2926 1985.2262 107.7291 -205782.4232 17476.5057 0.0000 0.0000 34160.5675 -149227.3806 298.3327 -183387.9481 -149133.3011 298.2131 -89.6719 -53.0186 556403.4646 -0.1948 -0.1369 PRESSURE: 2555200 -97.64 102.346 39.4385 102.345 97.2862 45.1359 39.4383 45.1358 -189.764 GPRESSURE: 2555200 -68.0948 98.6776 112.841 42.3873 130.613 45.5169 8.85884 6.66214 -166.449 PRESSAVG: 2555200 15.8466 16.0162 57.9091 16.0162 -8.47662 7.86761 57.9091 7.86762 -31.0517 GPRESSAVG: 2555200 15.4349 16.5713 57.7946 17.07 -8.45619 7.70183 58.5919 5.31271 -30.5887 TIMING: 2555200 CPU: 7404.71, 0.00289029/step Wall: 7404.71, 0.00289029/step, 1.96283 hours remaining, 210.722656 MB of memory in use. ENERGY: 2555200 769.0187 2065.9725 1961.5724 114.1121 -206189.1637 17685.9846 0.0000 0.0000 34283.7897 -149308.7137 299.4089 -183592.5034 -149216.5657 299.3196 -63.3727 -34.6436 556362.9075 -7.8939 -7.8700 PRESSURE: 2555400 168.517 -20.0395 59.8347 -20.0389 -97.9242 -97.5284 59.8345 -97.526 96.3879 GPRESSURE: 2555400 177.321 69.0715 83.9145 -44.8873 -37.9605 -123.47 46.7057 -150.116 107.75 PRESSAVG: 2555400 -17.452 9.05876 13.3502 9.05875 24.4002 13.2243 13.3502 13.2244 -3.8715 GPRESSAVG: 2555400 -17.66 12.8454 15.632 6.64381 23.9669 14.88 11.1589 15.4026 -4.11187 TIMING: 2555400 CPU: 7405.29, 0.00287994/step Wall: 7405.29, 0.00287994/step, 1.95564 hours remaining, 210.722656 MB of memory in use. ENERGY: 2555400 780.3189 2131.4609 1955.2613 109.3206 -206000.6227 17743.2516 0.0000 0.0000 33979.3346 -149301.6749 296.7500 -183281.0095 -149205.9246 298.8852 55.6602 82.3701 557165.7474 1.0256 0.7317 PRESSURE: 2555600 46.859 -2.33633 -70.6098 -2.33624 177.817 -200.659 -70.6116 -200.659 66.161 GPRESSURE: 2555600 53.3725 18.0567 -117.88 74.924 245.119 -194.138 -39.3872 -170.968 95.7223 PRESSAVG: 2555600 12.9602 10.6726 13.8706 10.6727 17.9132 37.5055 13.8707 37.5056 3.47983 GPRESSAVG: 2555600 13.1617 8.30879 11.8079 11.4655 19.413 37.7779 15.8976 37.3814 1.923 TIMING: 2555600 CPU: 7405.87, 0.00290466/step Wall: 7405.87, 0.00290466/step, 1.97226 hours remaining, 210.722656 MB of memory in use. ENERGY: 2555600 763.6187 2132.3689 1960.7044 124.6812 -206582.0585 18049.5889 0.0000 0.0000 34281.1911 -149269.9053 299.3862 -183551.0964 -149175.2866 298.7000 96.9455 131.4045 555026.6810 11.4511 11.4993 PRESSURE: 2555800 -13.6559 49.3468 26.9454 49.3461 138.199 75.782 26.9454 75.7809 -185.25 GPRESSURE: 2555800 7.40822 86.3108 13.4166 31.9785 131.321 74.6847 -14.2516 37.6303 -88.2422 PRESSAVG: 2555800 28.9925 -68.3571 -54.28 -68.3572 -17.55 7.98124 -54.2799 7.98125 2.21625 GPRESSAVG: 2555800 28.6025 -69.8933 -52.9281 -67.4235 -19.2117 7.17287 -53.6794 7.32222 4.06017 TIMING: 2555800 CPU: 7406.45, 0.00289831/step Wall: 7406.45, 0.00289831/step, 1.96779 hours remaining, 210.722656 MB of memory in use. ENERGY: 2555800 709.4308 2110.3447 1972.6556 118.9377 -206378.7256 17929.8707 0.0000 0.0000 34375.5423 -149161.9437 300.2102 -183537.4860 -149067.4529 299.3690 -20.2357 16.8291 556690.9164 4.5529 4.4837 PRESSURE: 2556000 19.3808 19.662 -64.4104 19.6627 -250.742 80.2571 -64.4093 80.2575 -91.599 GPRESSURE: 2556000 44.5717 20.0671 24.1059 39.1167 -269.824 116.703 -81.8224 117.918 2.26427 PRESSAVG: 2556000 24.2958 -11.9416 14.8743 -11.9416 -12.5828 27.236 14.8743 27.2362 -40.973 GPRESSAVG: 2556000 23.5936 -10.7118 13.3855 -13.2183 -11.4709 27.3113 14.5345 27.0872 -41.971 TIMING: 2556000 CPU: 7407.03, 0.00290827/step Wall: 7407.03, 0.00290827/step, 1.97439 hours remaining, 210.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2556000 739.6359 2113.4457 1942.5726 119.5223 -205774.5457 17516.2724 0.0000 0.0000 34107.4270 -149235.6698 297.8686 -183343.0968 -149147.8994 300.1627 -107.6535 -74.3294 557816.8364 -9.7533 -9.9494 PRESSURE: 2556200 -121.794 -49.0311 -47.6185 -49.0304 -385.033 185.734 -47.6194 185.735 -277.851 GPRESSURE: 2556200 -86.0259 -61.4998 -35.321 -4.58613 -297.973 293.555 -62.8696 168.974 -299.244 PRESSAVG: 2556200 48.5321 16.7451 11.5717 16.7451 -39.2101 48.8129 11.5718 48.8128 21.9821 GPRESSAVG: 2556200 48.945 13.6274 12.8406 18.6341 -38.666 49.2039 10.3367 49.821 20.9128 TIMING: 2556200 CPU: 7407.61, 0.00289905/step Wall: 7407.61, 0.00289905/step, 1.96797 hours remaining, 210.722656 MB of memory in use. ENERGY: 2556200 777.8869 2118.8804 1952.5449 111.8813 -205913.7711 17461.1483 0.0000 0.0000 34323.5774 -149167.8519 299.7563 -183491.4293 -149072.2477 299.7255 -261.5595 -227.7475 557850.8008 10.4347 10.3973 LDB: ============= START OF LOAD BALANCING ============== 7410.99 LDB: ============== END OF LOAD BALANCING =============== 7410.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7411 LDB: ============= START OF LOAD BALANCING ============== 7411.29 LDB: Largest compute 4800 load 0.024514 is 20.8% of average load 0.117895 LDB: Average compute 0.001748 is 1.5% of average load 0.117895 LDB: TIME 7411.29 LOAD: AVG 0.117895 MAX 0.177413 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.332 MB LDB: TIME 7411.29 LOAD: AVG 0.117895 MAX 0.177413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.332 MB LDB: TIME 7411.29 LOAD: AVG 0.117895 MAX 0.177413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7411.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7411.3 PRESSURE: 2556400 -125.93 -7.05129 30.7524 -7.05057 -327.985 68.3833 30.7528 68.3823 -11.2046 GPRESSURE: 2556400 -55.1725 -43.1335 83.0351 70.7423 -339.917 127.567 8.13846 74.2654 29.3261 PRESSAVG: 2556400 15.0541 -61.7892 15.2932 -61.7892 -25.212 14.8817 15.2932 14.8817 -48.2465 GPRESSAVG: 2556400 15.362 -61.6541 15.6412 -60.6147 -26.7942 14.3645 15.8442 15.9456 -47.5104 TIMING: 2556400 CPU: 7408.2, 0.00294958/step Wall: 7408.2, 0.00294958/step, 2.00211 hours remaining, 210.261719 MB of memory in use. ENERGY: 2556400 728.7261 2065.8515 1970.3591 117.8490 -205758.0065 17463.9204 0.0000 0.0000 34168.4412 -149242.8591 298.4015 -183411.3003 -149150.7401 299.0901 -155.0400 -121.9213 557683.6160 -19.4681 -19.6475 PRESSURE: 2556600 -27.3796 16.4307 49.6575 16.4307 -141.633 27.9566 49.6573 27.9561 -241.599 GPRESSURE: 2556600 -11.186 58.7509 106.544 18.1393 -82.4643 16.7104 -3.81592 -55.2097 -233.321 PRESSAVG: 2556600 -23.1584 7.59092 -0.28132 7.59089 2.84892 -14.7847 -0.281362 -14.7848 -6.72551 GPRESSAVG: 2556600 -22.1053 9.39813 -2.12549 4.09591 2.82958 -13.0965 0.151711 -16.8433 -7.44602 TIMING: 2556600 CPU: 7408.78, 0.00289778/step Wall: 7408.78, 0.00289778/step, 1.96679 hours remaining, 210.648438 MB of memory in use. ENERGY: 2556600 740.4466 2128.3825 1958.3930 113.0833 -206026.0688 17619.4209 0.0000 0.0000 34282.9356 -149183.4069 299.4014 -183466.3425 -149093.6566 299.3223 -136.8705 -108.9906 557360.2995 -9.0117 -8.9072 PRESSURE: 2556800 -40.9262 130.389 -73.0539 130.389 -84.0813 135.339 -73.0535 135.339 331.939 GPRESSURE: 2556800 2.56204 139.438 -132.418 53.8224 -5.69863 183.702 35.2627 56.0443 303.804 PRESSAVG: 2556800 8.05282 42.7221 13.9748 42.7221 10.8902 -21.12 13.9748 -21.1199 -9.45011 GPRESSAVG: 2556800 7.08836 44.9468 17.361 41.0328 12.1704 -24.8059 13.0601 -19.587 -9.67579 TIMING: 2556800 CPU: 7409.36, 0.00290488/step Wall: 7409.36, 0.00290488/step, 1.97145 hours remaining, 210.699219 MB of memory in use. ENERGY: 2556800 745.5645 2102.3006 1973.7037 111.2345 -206640.8455 18184.8681 0.0000 0.0000 34468.5993 -149054.5749 301.0229 -183523.1742 -148963.5495 299.3434 68.9770 100.2226 557679.1115 3.1643 3.1943 PRESSURE: 2557000 -523.92 47.4224 99.406 47.4216 -90.8415 -100.757 99.4065 -100.758 -47.584 GPRESSURE: 2557000 -507.079 62.7163 110.168 190.566 -87.5069 -76.5917 82.8911 -87.4056 17.5584 PRESSAVG: 2557000 -23.1563 7.64349 43.0989 7.64349 -55.6232 -18.1086 43.0989 -18.1087 107.8 GPRESSAVG: 2557000 -21.6995 6.0448 42.2969 10.2275 -57.5887 -17.7127 43.1901 -17.5452 108.397 TIMING: 2557000 CPU: 7409.94, 0.00289226/step Wall: 7409.94, 0.00289226/step, 1.96272 hours remaining, 210.699219 MB of memory in use. ENERGY: 2557000 745.9361 2128.9229 1971.5989 138.7952 -205439.5710 17338.6005 0.0000 0.0000 34080.6444 -149035.0730 297.6347 -183115.7174 -148942.0781 299.1842 -220.7817 -192.3424 558740.8238 9.6735 9.7028 PRESSURE: 2557200 94.6148 -63.0997 -122.342 -63.0999 43.9227 -76.907 -122.343 -76.9081 92.1333 GPRESSURE: 2557200 92.4039 5.81775 -65.8026 -159.816 103.245 -51.3544 -204.508 -136.888 125.821 PRESSAVG: 2557200 3.71872 2.21421 40.0636 2.21408 -12.1892 -36.1129 40.0636 -36.1128 5.9839 GPRESSAVG: 2557200 2.10462 1.81025 40.271 1.75908 -12.7741 -34.4893 39.0887 -36.8406 8.40032 TIMING: 2557200 CPU: 7410.52, 0.00289493/step Wall: 7410.52, 0.00289493/step, 1.96437 hours remaining, 210.699219 MB of memory in use. ENERGY: 2557200 721.3213 2063.2524 1983.7585 118.6322 -206091.5719 17889.7961 0.0000 0.0000 34153.5343 -149161.2772 298.2713 -183314.8114 -149058.2574 298.4966 76.8903 107.1564 556391.7160 -0.8289 -0.7564 PRESSURE: 2557400 -31.7613 -96.0803 -170.173 -96.0793 -351.373 -75.0654 -170.173 -75.0661 -188.41 GPRESSURE: 2557400 -48.9102 -91.5052 -82.5727 -143.663 -295.637 -57.3506 -158.833 -55.7095 -141.134 PRESSAVG: 2557400 -17.6732 32.3198 4.05152 32.3198 1.86951 12.2474 4.05159 12.2473 4.77394 GPRESSAVG: 2557400 -17.2035 32.5942 4.41626 31.2758 3.25918 11.4652 6.41893 11.594 3.18748 TIMING: 2557400 CPU: 7411.1, 0.00289332/step Wall: 7411.1, 0.00289332/step, 1.96312 hours remaining, 210.699219 MB of memory in use. ENERGY: 2557400 733.3533 2095.5366 1969.0056 115.4469 -205752.1297 17617.8608 0.0000 0.0000 34085.0283 -149135.8982 297.6730 -183220.9264 -149043.3429 298.8670 -190.5149 -161.8940 558750.8936 -3.6766 -3.5856 PRESSURE: 2557600 54.4753 -3.0326 3.74187 -3.03156 86.5255 -2.7369 3.74216 -2.73703 223.933 GPRESSURE: 2557600 60.2171 -31.0412 59.4131 28.7292 170.224 -25.3264 46.7618 -97.8419 248.094 PRESSAVG: 2557600 51.2621 11.2689 35.519 11.2689 -17.5402 -60.4449 35.5191 -60.4448 -36.0368 GPRESSAVG: 2557600 51.0817 10.288 35.6195 13.0708 -17.6125 -58.313 33.5712 -58.8618 -35.8224 TIMING: 2557600 CPU: 7411.67, 0.00286739/step Wall: 7411.67, 0.00286739/step, 1.94537 hours remaining, 210.699219 MB of memory in use. ENERGY: 2557600 780.2369 2136.1592 1960.1881 107.3526 -206333.2174 17996.7892 0.0000 0.0000 34181.2058 -149171.2857 298.5130 -183352.4914 -149078.5156 299.3736 121.6445 159.5119 557959.7022 -0.7716 -0.7844 PRESSURE: 2557800 19.2726 -111.016 -16.965 -111.017 51.2132 -105.538 -16.9655 -105.537 -173.256 GPRESSURE: 2557800 39.5341 -71.9673 39.0453 -93.3329 109.309 -147.731 -14.5532 -56.223 -150.197 PRESSAVG: 2557800 -26.5663 -14.6063 20.5499 -14.6062 -20.5044 -31.1954 20.55 -31.1954 52.4323 GPRESSAVG: 2557800 -26.9481 -12.65 21.7138 -14.534 -21.8314 -32.0242 19.9226 -32.1252 53.2272 TIMING: 2557800 CPU: 7412.25, 0.00288221/step Wall: 7412.25, 0.00288221/step, 1.95526 hours remaining, 210.699219 MB of memory in use. ENERGY: 2557800 712.4680 2114.7714 1943.2597 107.6361 -206181.2776 17826.7864 0.0000 0.0000 34260.2077 -149216.1482 299.2029 -183476.3560 -149119.7408 299.5877 -34.2566 -0.4512 557330.7965 1.7872 1.4826 PRESSURE: 2558000 -9.19476 66.892 47.9559 66.8926 -8.84868 -147.78 47.9559 -147.781 -132.436 GPRESSURE: 2558000 74.2646 162.568 31.4578 31.9143 -7.98998 -87.2803 46.5083 -154.106 -112.299 PRESSAVG: 2558000 -8.46212 12.2235 33.2696 12.2235 -0.696055 -26.1801 33.2697 -26.1802 38.8732 GPRESSAVG: 2558000 -6.83926 10.6311 30.3284 12.3295 -0.280484 -28.7502 35.1671 -26.4593 37.3556 TIMING: 2558000 CPU: 7412.82, 0.00289312/step Wall: 7412.82, 0.00289312/step, 1.9625 hours remaining, 210.699219 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: 2558000 720.4300 2096.2369 1952.4551 127.9859 -206069.0657 17943.3030 0.0000 0.0000 34057.1454 -149171.5095 297.4295 -183228.6549 -149080.3349 298.9812 -50.1599 -15.3414 559178.8095 9.9050 10.0786 PRESSURE: 2558200 22.1615 43.3925 88.9503 43.3913 -96.1282 -35.3209 88.9497 -35.3219 -126.298 GPRESSURE: 2558200 79.8559 49.0209 38.419 76.7862 -101.366 -104.183 167.525 -111.443 -74.1163 PRESSAVG: 2558200 -17.2711 7.15277 32.3306 7.15294 21.7476 -26.8168 32.3305 -26.8167 55.7216 GPRESSAVG: 2558200 -18.5137 9.48764 34.6082 5.3903 22.4199 -24.8799 30.5173 -27.0257 56.1636 TIMING: 2558200 CPU: 7413.4, 0.00289877/step Wall: 7413.4, 0.00289877/step, 1.96617 hours remaining, 210.699219 MB of memory in use. ENERGY: 2558200 722.8520 2066.4948 1965.8884 111.1165 -206280.7511 17796.4642 0.0000 0.0000 34485.6525 -149132.2827 301.1718 -183617.9352 -149029.9505 299.9188 -66.7550 -31.8756 557011.1201 20.0660 20.0233 PRESSURE: 2558400 -103.579 -43.9544 -140.823 -43.9538 -157.718 42.8002 -140.824 42.7994 149.627 GPRESSURE: 2558400 -126.159 -133.136 -56.2524 -40.9726 -87.3285 -15.6469 -108.169 22.4586 192.479 PRESSAVG: 2558400 -76.6791 43.1392 -22.8179 43.1392 -18.4679 -34.871 -22.8178 -34.871 116.004 GPRESSAVG: 2558400 -77.1239 40.0076 -21.425 44.2137 -17.1469 -36.3584 -23.6752 -33.4751 115.248 TIMING: 2558400 CPU: 7413.98, 0.00289544/step Wall: 7413.98, 0.00289544/step, 1.96375 hours remaining, 210.699219 MB of memory in use. ENERGY: 2558400 705.8022 2123.2641 1985.1466 107.1737 -206073.8201 17809.9505 0.0000 0.0000 34222.8557 -149119.6272 298.8767 -183342.4829 -149025.5203 299.3084 -37.2232 -7.0026 558637.9509 6.9522 6.9923 PRESSURE: 2558600 91.3322 -39.3373 -157.097 -39.3372 70.8554 74.5306 -157.097 74.5313 -205.203 GPRESSURE: 2558600 109.86 72.0185 -200.17 -62.0931 107.291 15.5787 -122.835 105.402 -165.348 PRESSAVG: 2558600 -69.8503 30.4591 -17.718 30.459 7.90371 16.6484 -17.718 16.6483 19.2454 GPRESSAVG: 2558600 -69.3804 30.6146 -18.8023 30.1221 7.50865 16.2363 -15.8477 15.7569 19.4371 TIMING: 2558600 CPU: 7414.56, 0.00290594/step Wall: 7414.56, 0.00290594/step, 1.97071 hours remaining, 210.699219 MB of memory in use. ENERGY: 2558600 741.9150 2098.8746 1922.5994 114.4484 -205935.9540 17669.2357 0.0000 0.0000 34289.2052 -149099.6757 299.4562 -183388.8809 -149010.1271 300.0603 -14.3385 17.2675 558952.0627 -14.2337 -14.1449 PRESSURE: 2558800 571.36 232.279 177.578 232.279 162.756 328.318 177.577 328.318 243.385 GPRESSURE: 2558800 582.982 211.418 135.218 202.65 193.612 309.347 169.44 363.21 299.543 PRESSAVG: 2558800 -12.2098 1.11917 40.1224 1.11917 -20.8587 13.2446 40.1225 13.2446 28.0992 GPRESSAVG: 2558800 -12.701 0.417162 40.7824 1.55096 -21.9221 13.4766 40.2658 13.3094 29.8382 TIMING: 2558800 CPU: 7415.15, 0.00290148/step Wall: 7415.15, 0.00290148/step, 1.96753 hours remaining, 210.699219 MB of memory in use. ENERGY: 2558800 726.6320 2147.0812 1946.0399 118.5823 -206753.0751 18385.2948 0.0000 0.0000 34308.3602 -149121.0848 299.6234 -183429.4449 -149029.9945 300.2251 325.8335 358.7121 556572.9414 -1.6564 -1.5950 PRESSURE: 2559000 170.982 -126.713 -34.3946 -126.712 -44.0402 81.9508 -34.3949 81.9504 107.205 GPRESSURE: 2559000 233.614 -46.7735 -32.258 -109.869 -2.74864 66.4411 -70.1586 111.789 101.473 PRESSAVG: 2559000 43.5777 3.43932 40.9141 3.43938 7.59711 5.49642 40.9141 5.49639 -67.7113 GPRESSAVG: 2559000 45.6452 6.93449 40.0519 2.52251 7.3483 5.86861 42.1961 5.67899 -69.0323 TIMING: 2559000 CPU: 7415.73, 0.00289955/step Wall: 7415.73, 0.00289955/step, 1.96606 hours remaining, 210.699219 MB of memory in use. ENERGY: 2559000 732.0158 2046.8216 1951.6660 107.0692 -206065.4612 17862.3248 0.0000 0.0000 34128.5664 -149236.9974 298.0533 -183365.5638 -149137.2452 299.9561 78.0488 110.7794 557091.8689 -5.5122 -5.3463 PRESSURE: 2559200 -105.179 235.592 -50.3672 235.591 -165.411 231.437 -50.3659 231.436 -111.101 GPRESSURE: 2559200 -47.3182 172.182 7.74199 217.691 -145.666 201.778 -55.3893 215.787 -87.6822 PRESSAVG: 2559200 -11.237 -17.1617 72.9924 -17.1618 -8.63759 -17.5346 72.9924 -17.5346 23.3527 GPRESSAVG: 2559200 -12.3585 -20.0857 74.0602 -14.681 -7.55413 -15.4106 72.6089 -19.3543 23.1822 TIMING: 2559200 CPU: 7416.31, 0.00290063/step Wall: 7416.31, 0.00290063/step, 1.96663 hours remaining, 210.699219 MB of memory in use. ENERGY: 2559200 818.5574 2045.3100 1964.3999 116.1481 -205922.8182 17667.2043 0.0000 0.0000 34238.8042 -149072.3944 299.0160 -183311.1986 -148972.7892 299.4648 -127.2304 -93.5555 556890.2678 1.1594 1.0899 PRESSURE: 2559400 -99.767 -57.6437 71.9786 -57.643 -26.0364 -110.509 71.9791 -110.508 152.84 GPRESSURE: 2559400 -46.8525 -88.3247 51.3892 -62.5666 29.2572 -91.6936 41.9996 -80.7125 138.185 PRESSAVG: 2559400 1.29261 19.8116 -22.3829 19.8116 2.18214 0.601118 -22.3828 0.601029 -14.4366 GPRESSAVG: 2559400 -0.0447234 19.8166 -22.7041 19.2886 2.24446 0.140514 -23.0034 1.72815 -13.0047 TIMING: 2559400 CPU: 7416.88, 0.00288855/step Wall: 7416.88, 0.00288855/step, 1.95828 hours remaining, 210.699219 MB of memory in use. ENERGY: 2559400 748.6759 2093.9664 1967.8081 115.3971 -206319.1195 17772.8255 0.0000 0.0000 34451.8892 -149168.5574 300.8769 -183620.4465 -149069.9275 299.3958 9.0121 40.1967 557291.0061 -3.6540 -3.6017 PRESSURE: 2559600 2.9661 181.088 -56.2052 181.087 119.426 -143.31 -56.2046 -143.311 -36.4121 GPRESSURE: 2559600 11.2163 116.128 -117.399 210.178 138.859 -63.4483 -49.2782 -134.675 32.8296 PRESSAVG: 2559600 20.9214 34.9919 35.9244 34.992 -11.1624 -12.9524 35.9244 -12.9522 9.48819 GPRESSAVG: 2559600 21.5718 35.3036 33.1368 33.9438 -11.9042 -10.9712 35.6414 -12.7908 10.1608 TIMING: 2559600 CPU: 7417.46, 0.00287991/step Wall: 7417.46, 0.00287991/step, 1.95226 hours remaining, 210.699219 MB of memory in use. ENERGY: 2559600 785.8962 2115.4410 1982.0511 107.1485 -206033.5410 17809.2661 0.0000 0.0000 34155.6321 -149078.1060 298.2896 -183233.7381 -148989.3030 299.2323 28.6600 60.9684 557490.4035 6.4157 6.6095 PRESSURE: 2559800 -156.025 -22.3395 -37.6646 -22.3399 100.667 -62.8775 -37.6647 -62.8774 38.7655 GPRESSURE: 2559800 -146.437 -27.3116 -27.1538 83.6495 129.334 -58.8945 -141.304 -85.0661 99.8722 PRESSAVG: 2559800 47.0339 25.6227 -40.8121 25.6228 -13.6511 -50.6756 -40.8121 -50.6756 -36.1531 GPRESSAVG: 2559800 46.8461 26.928 -40.2421 25.2367 -12.6025 -53.8594 -42.3247 -51.6324 -36.9923 TIMING: 2559800 CPU: 7418.04, 0.00288449/step Wall: 7418.04, 0.00288449/step, 1.9552 hours remaining, 210.699219 MB of memory in use. ENERGY: 2559800 741.6903 2124.1351 1969.6120 118.6247 -205855.7163 17666.6410 0.0000 0.0000 34289.2400 -148945.7733 299.4565 -183235.0133 -148854.2843 300.0948 -5.5309 27.5896 557276.7095 -0.9234 -0.9162 PRESSURE: 2560000 -234.119 86.3763 -54.852 86.3759 86.0837 93.1594 -54.8517 93.1583 43.2926 GPRESSURE: 2560000 -202.314 119.4 -50.6414 83.8576 106.7 65.749 -59.5787 -2.81835 85.5391 PRESSAVG: 2560000 -14.2133 -39.3226 3.9789 -39.3226 44.9094 -34.7779 3.97883 -34.778 18.5449 GPRESSAVG: 2560000 -14.2154 -38.702 4.76735 -36.9868 45.3699 -36.589 4.53019 -30.8305 18.165 TIMING: 2560000 CPU: 7418.61, 0.00289253/step Wall: 7418.61, 0.00289253/step, 1.96049 hours remaining, 210.699219 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: 2560000 743.6385 2050.9397 1932.1328 110.6470 -205892.0295 17711.5450 0.0000 0.0000 34378.9443 -148964.1822 300.2399 -183343.1265 -148868.0053 299.8735 -34.9143 -3.3582 556981.4239 16.4136 16.4398 PRESSURE: 2560200 -11.2104 24.018 45.8322 24.0174 -133.295 98.6101 45.8321 98.6094 192.71 GPRESSURE: 2560200 -44.9706 134.87 66.97 -8.14796 -82.6143 65.3564 126.839 108.48 273.118 PRESSAVG: 2560200 -2.15084 -23.2423 -20.9606 -23.2424 12.9072 1.25248 -20.9607 1.25243 -2.24089 GPRESSAVG: 2560200 -1.69072 -24.3521 -20.9333 -22.8075 12.261 1.06866 -19.7852 -0.219522 -2.45337 TIMING: 2560200 CPU: 7419.19, 0.00289108/step Wall: 7419.19, 0.00289108/step, 1.95935 hours remaining, 210.699219 MB of memory in use. ENERGY: 2560200 760.2054 2108.9189 1958.1377 111.0667 -206388.5548 17943.6577 0.0000 0.0000 34432.6163 -149073.9521 300.7086 -183506.5683 -148976.2596 300.1595 16.0679 48.5110 558001.5399 2.8385 2.7056 LDB: ============= START OF LOAD BALANCING ============== 7422.58 LDB: ============== END OF LOAD BALANCING =============== 7422.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7422.58 LDB: ============= START OF LOAD BALANCING ============== 7422.87 LDB: Largest compute 4800 load 0.024394 is 20.7% of average load 0.117817 LDB: Average compute 0.001751 is 1.5% of average load 0.117817 LDB: TIME 7422.87 LOAD: AVG 0.117817 MAX 0.177332 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 7422.87 LOAD: AVG 0.117817 MAX 0.177332 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: TIME 7422.87 LOAD: AVG 0.117817 MAX 0.177332 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: ============== END OF LOAD BALANCING =============== 7422.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7422.88 PRESSURE: 2560400 -323.501 -66.2676 -202.597 -66.2669 140.696 -12.657 -202.596 -12.6575 -138.033 GPRESSURE: 2560400 -253.515 -57.1792 -138.483 -59.7581 142.704 -27.999 -207.366 -4.10116 -108.556 PRESSAVG: 2560400 23.8447 -13.2387 -8.58646 -13.2388 10.9943 45.5997 -8.58648 45.5997 -4.59709 GPRESSAVG: 2560400 23.8711 -14.4295 -9.60759 -13.0448 10.9961 48.2783 -5.4602 45.9013 -3.67536 TIMING: 2560400 CPU: 7419.78, 0.00294849/step Wall: 7419.78, 0.00294849/step, 1.99809 hours remaining, 209.492188 MB of memory in use. ENERGY: 2560400 750.8873 2146.2758 1955.9224 114.1848 -205589.9287 17585.5817 0.0000 0.0000 33983.2503 -149053.8264 296.7842 -183037.0767 -148950.3017 300.2961 -106.9459 -73.1223 558337.7209 10.0806 10.3973 PRESSURE: 2560600 379.089 -157.323 181.216 -157.322 -217.119 -99.3916 181.216 -99.3917 198.761 GPRESSURE: 2560600 397.467 -114.881 197.605 -164.975 -161.656 8.06318 136.811 -163.426 236.329 PRESSAVG: 2560600 -59.6592 -83.4221 -15.539 -83.4221 65.0681 16.3712 -15.539 16.3711 8.89304 GPRESSAVG: 2560600 -59.0308 -83.3796 -16.4791 -84.2281 64.6846 14.0152 -18.1855 16.497 8.68914 TIMING: 2560600 CPU: 7420.36, 0.00286574/step Wall: 7420.36, 0.00286574/step, 1.94186 hours remaining, 209.492188 MB of memory in use. ENERGY: 2560600 742.9243 2078.9330 1958.1412 109.0426 -205840.0686 17860.8688 0.0000 0.0000 34240.4186 -148849.7401 299.0301 -183090.1586 -148747.7505 299.4248 120.2435 157.3801 557678.1303 4.7673 4.7810 PRESSURE: 2560800 -106.643 98.7021 -3.79407 98.7027 1.77059 -34.0871 -3.79264 -34.0868 -227.833 GPRESSURE: 2560800 -39.2526 81.2008 -70.9429 45.2485 14.4534 -57.1125 -3.39699 -51.0669 -204.458 PRESSAVG: 2560800 51.2894 20.0838 -37.0264 20.0838 -42.7152 -31.7551 -37.0264 -31.7551 -29.7396 GPRESSAVG: 2560800 51.5776 19.4717 -36.2615 19.2146 -42.9232 -31.1386 -37.6058 -35.4248 -30.1535 TIMING: 2560800 CPU: 7420.93, 0.0028722/step Wall: 7420.93, 0.0028722/step, 1.94608 hours remaining, 209.492188 MB of memory in use. ENERGY: 2560800 800.4583 2088.8738 1970.1370 113.3424 -205846.6990 17666.0672 0.0000 0.0000 34248.1673 -148959.6530 299.0978 -183207.8203 -148866.2157 300.0368 -110.9018 -76.4189 558168.7076 -7.0551 -7.1664 PRESSURE: 2561000 -117.476 36.0621 27.9689 36.062 -120.599 200.044 27.9691 200.044 -294.604 GPRESSURE: 2561000 -115.682 -8.76856 94.387 84.5625 -80.1104 198.037 18.0306 211.344 -223.668 PRESSAVG: 2561000 -6.95112 -16.1122 -4.42251 -16.1122 -21.0652 -21.2595 -4.42259 -21.2596 6.12895 GPRESSAVG: 2561000 -8.01989 -14.5325 -5.31596 -15.548 -20.1093 -19.655 -4.30966 -18.0163 6.85702 TIMING: 2561000 CPU: 7421.51, 0.00290371/step Wall: 7421.51, 0.00290371/step, 1.96726 hours remaining, 209.492188 MB of memory in use. ENERGY: 2561000 751.9478 2071.7168 1956.9256 119.2339 -205839.5889 17589.2183 0.0000 0.0000 34404.2791 -148946.2675 300.4611 -183350.5466 -148849.2590 300.6161 -177.5597 -139.8199 557179.4510 -7.2958 -7.0907 PRESSURE: 2561200 35.8768 152.699 29.1024 152.699 158.923 -33.7095 29.1032 -33.7098 5.6508 GPRESSURE: 2561200 41.254 96.2591 -58.686 201.867 200.891 -83.5376 43.9271 -15.3982 69.2419 PRESSAVG: 2561200 18.012 12.4549 1.32497 12.4549 29.8607 -10.1302 1.32507 -10.1303 -55.1146 GPRESSAVG: 2561200 18.1486 11.8039 2.77422 13.6003 30.3808 -10.6827 0.389987 -9.59902 -55.7546 TIMING: 2561200 CPU: 7422.09, 0.00287429/step Wall: 7422.09, 0.00287429/step, 1.94717 hours remaining, 209.492188 MB of memory in use. ENERGY: 2561200 738.8019 2146.0822 1989.5359 107.9039 -206277.9391 17934.8205 0.0000 0.0000 34491.8978 -148868.8969 301.2263 -183360.7947 -148776.1222 300.2024 66.8170 103.7957 556325.3960 -2.4140 -2.4084 PRESSURE: 2561400 -189.3 37.1204 76.4097 37.1206 -34.8975 68.2692 76.4101 68.2696 -24.5209 GPRESSURE: 2561400 -129.828 5.40876 138.792 18.1439 -26.3118 92.8035 130.205 81.4246 2.32941 PRESSAVG: 2561400 -1.20876 -12.3754 -29.2016 -12.3753 -10.3603 3.75534 -29.2017 3.75545 -9.63435 GPRESSAVG: 2561400 -0.979186 -11.1989 -28.906 -14.6126 -11.5872 2.23451 -27.7278 3.20628 -8.80365 TIMING: 2561400 CPU: 7422.66, 0.00288866/step Wall: 7422.66, 0.00288866/step, 1.95675 hours remaining, 209.988281 MB of memory in use. ENERGY: 2561400 783.3874 2170.5278 1988.5603 123.9421 -206179.7212 17691.4424 0.0000 0.0000 34513.1323 -148908.7289 301.4118 -183421.8612 -148814.7963 300.7875 -82.9060 -51.2701 555797.4284 -7.0678 -7.1233 PRESSURE: 2561600 192.211 -49.4873 -65.5148 -49.4874 87.0292 -118.86 -65.5157 -118.86 153.516 GPRESSURE: 2561600 211.735 -95.7356 -49.5893 -19.2575 158.039 -121.826 -122.252 -213.601 151.159 PRESSAVG: 2561600 -31.4185 16.5992 -6.48334 16.5993 33.3726 21.1145 -6.48323 21.1145 -1.4167 GPRESSAVG: 2561600 -30.9995 16.9345 -7.15637 16.396 33.9702 22.0795 -6.4454 20.0558 -2.68169 TIMING: 2561600 CPU: 7423.25, 0.00291267/step Wall: 7423.25, 0.00291267/step, 1.97285 hours remaining, 209.988281 MB of memory in use. ENERGY: 2561600 764.6136 2143.6310 1969.6565 112.9990 -206415.9308 18006.0197 0.0000 0.0000 34574.7663 -148844.2448 301.9500 -183419.0110 -148741.6371 300.0743 144.2520 173.6443 556433.4796 0.1791 0.0963 PRESSURE: 2561800 -391.537 88.3295 121.362 88.3304 -61.9504 -34.4998 121.364 -34.4979 -168.834 GPRESSURE: 2561800 -327.656 85.0795 152.175 106.452 -22.1192 62.8354 132.314 -68.4073 -175.921 PRESSAVG: 2561800 22.0424 -19.7604 -8.4084 -19.7604 -2.60761 -28.4938 -8.4083 -28.4939 -23.9436 GPRESSAVG: 2561800 22.0238 -21.4448 -8.50968 -19.9139 -2.91892 -26.8459 -6.97073 -27.9013 -23.1836 TIMING: 2561800 CPU: 7423.83, 0.00289752/step Wall: 7423.83, 0.00289753/step, 1.96243 hours remaining, 209.988281 MB of memory in use. ENERGY: 2561800 747.1379 2170.2557 1948.8369 107.5110 -205562.8975 17352.9789 0.0000 0.0000 34299.7593 -148936.4178 299.5483 -183236.1771 -148842.1294 301.0267 -207.4404 -175.2320 557718.2730 -1.5029 -1.3596 PRESSURE: 2562000 -149.732 25.7572 -218.109 25.7579 -126.432 -128.365 -218.108 -128.364 -134.408 GPRESSURE: 2562000 -127.796 -61.3389 -146.916 61.6127 -94.805 -210.113 -131.508 -149.152 -88.7325 PRESSAVG: 2562000 -19.6641 54.4674 36.5672 54.4674 43.5943 -40.0009 36.5672 -40.0008 30.8841 GPRESSAVG: 2562000 -19.822 54.2006 35.7756 56.8035 43.075 -41.5313 35.3018 -39.2097 30.8746 TIMING: 2562000 CPU: 7424.41, 0.00290209/step Wall: 7424.41, 0.00290209/step, 1.96536 hours remaining, 209.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2562000 761.6271 2225.8585 1979.5548 108.8298 -205901.1030 17638.7839 0.0000 0.0000 34161.8633 -149024.5856 298.3440 -183186.4489 -148926.4557 300.1225 -136.8576 -103.7777 557965.5635 18.2714 18.0426 PRESSURE: 2562200 -64.8554 -28.1599 -83.7227 -28.1589 235.729 0.119088 -83.7216 0.119006 279.067 GPRESSURE: 2562200 -37.7984 17.919 -37.339 -25.9189 292.524 14.0383 -123.95 4.64211 309.161 PRESSAVG: 2562200 23.3013 9.59549 -16.827 9.59549 -29.465 -17.7719 -16.827 -17.7719 -7.35079 GPRESSAVG: 2562200 23.2807 10.5624 -15.8655 7.75358 -29.51 -17.8141 -17.895 -16.9192 -7.50566 TIMING: 2562200 CPU: 7424.98, 0.00289373/step Wall: 7424.98, 0.00289373/step, 1.95954 hours remaining, 209.988281 MB of memory in use. ENERGY: 2562200 776.1206 2124.1110 1960.5809 108.2420 -206598.1502 18132.6186 0.0000 0.0000 34386.2246 -149110.2526 300.3035 -183496.4772 -149014.4918 299.7543 149.9802 187.9624 556809.7315 -4.5048 -4.5783 PRESSURE: 2562400 -39.3816 -142.947 92.3982 -142.947 -92.0578 105.701 92.3983 105.7 -256.425 GPRESSURE: 2562400 -9.83778 -127.637 45.7073 -170.512 -94.5872 83.8259 108.495 145.441 -182.342 PRESSAVG: 2562400 -25.8188 7.89155 -2.28563 7.89152 -21.9099 57.2806 -2.28559 57.2806 84.2919 GPRESSAVG: 2562400 -25.5801 5.74594 -3.66226 9.67187 -22.1172 55.5965 -1.34623 56.4133 84.5422 TIMING: 2562400 CPU: 7425.57, 0.00290635/step Wall: 7425.57, 0.00290635/step, 1.96792 hours remaining, 209.988281 MB of memory in use. ENERGY: 2562400 770.3524 2134.5855 1926.2345 106.9052 -205887.6377 17637.6590 0.0000 0.0000 34128.2720 -149183.6292 298.0507 -183311.9013 -149089.4939 299.6374 -129.2881 -95.5891 558135.5882 12.1877 12.2816 PRESSURE: 2562600 174.144 -50.5779 4.86646 -50.5792 -168.146 -20.5166 4.86716 -20.5164 5.29621 GPRESSURE: 2562600 213.778 -32.161 93.3421 -198.239 -136.898 50.1959 -45.6989 -41.6993 23.9019 PRESSAVG: 2562600 -13.1094 -5.14617 15.0151 -5.1462 46.8774 37.2414 15.0151 37.2413 -15.0211 GPRESSAVG: 2562600 -13.9779 -1.62789 17.065 -8.56235 45.9636 38.4268 15.1056 36.4077 -12.9764 TIMING: 2562600 CPU: 7426.14, 0.00287776/step Wall: 7426.14, 0.00287776/step, 1.9484 hours remaining, 209.988281 MB of memory in use. ENERGY: 2562600 741.1268 2146.8497 1926.7140 105.8719 -206141.5521 17879.5565 0.0000 0.0000 34051.9214 -149289.5118 297.3839 -183341.4332 -149194.2127 298.8363 3.7646 33.5941 558518.4852 6.2489 6.3364 PRESSURE: 2562800 -207.036 -40.9624 64.8823 -40.9621 8.34614 -10.7635 64.881 -10.7644 -134.033 GPRESSURE: 2562800 -143.326 -45.6998 -8.0582 -32.5517 54.4961 40.0998 91.7757 -19.5414 -117.463 PRESSAVG: 2562800 -6.12249 2.56829 -22.7394 2.56824 -58.913 9.19433 -22.7395 9.19422 0.919231 GPRESSAVG: 2562800 -5.1923 0.549749 -25.0681 4.08162 -58.2454 10.8861 -22.2318 7.70059 -0.708495 TIMING: 2562800 CPU: 7426.72, 0.00287099/step Wall: 7426.72, 0.00287099/step, 1.94366 hours remaining, 209.988281 MB of memory in use. ENERGY: 2562800 803.2603 2089.5494 1926.2541 119.8545 -206324.9216 17920.1355 0.0000 0.0000 34190.2587 -149275.6090 298.5920 -183465.8678 -149181.8552 299.7898 -110.9075 -68.7646 558611.4564 -21.3721 -21.3821 PRESSURE: 2563000 -24.3853 85.1536 12.593 85.1543 -179.171 165.975 12.5938 165.976 -337.926 GPRESSURE: 2563000 -34.42 60.8246 80.0249 195.814 -74.2749 162.603 -1.80577 161.042 -327.559 PRESSAVG: 2563000 -5.49151 -44.4185 -3.68121 -44.4185 1.75724 65.8817 -3.68134 65.8817 31.9435 GPRESSAVG: 2563000 -6.49498 -44.0703 -1.45485 -42.4995 4.73415 64.908 -5.51715 68.2243 30.2445 TIMING: 2563000 CPU: 7427.29, 0.00289154/step Wall: 7427.29, 0.00289154/step, 1.95741 hours remaining, 209.988281 MB of memory in use. ENERGY: 2563000 748.0547 2092.8704 1951.2628 107.3430 -206214.6890 17693.0429 0.0000 0.0000 34333.2414 -149288.8737 299.8407 -183622.1151 -149190.4747 298.9865 -180.4939 -145.4180 557957.0536 9.4031 9.4945 PRESSURE: 2563200 213.176 -99.2721 53.8811 -99.2723 -6.90357 212.841 53.881 212.842 105.815 GPRESSURE: 2563200 197.42 -95.5132 67.1064 -86.3372 49.457 154.352 24.2232 114.389 157.339 PRESSAVG: 2563200 13.2949 -4.44857 -2.3545 -4.44857 -14.5486 15.1085 -2.35455 15.1084 48.341 GPRESSAVG: 2563200 13.7142 -3.45834 -1.88311 -5.64347 -16.8379 14.9058 -1.79659 15.2959 49.961 TIMING: 2563200 CPU: 7427.87, 0.00288867/step Wall: 7427.87, 0.00288867/step, 1.95531 hours remaining, 209.988281 MB of memory in use. ENERGY: 2563200 714.5614 2070.5666 1909.4153 103.2707 -206183.0366 17964.9722 0.0000 0.0000 34050.9895 -149369.2609 297.3758 -183420.2504 -149270.4375 299.0667 104.0291 134.7387 557710.5555 15.6958 15.6124 PRESSURE: 2563400 134.427 -20.0527 60.7307 -20.0515 -250.845 146.711 60.7313 146.712 -131.034 GPRESSURE: 2563400 150.928 -43.3741 11.018 -76.7662 -187.589 246.981 134.266 7.7098 -107.54 PRESSAVG: 2563400 38.2377 35.0125 13.1179 35.0125 -36.28 23.6649 13.118 23.6647 -0.700521 GPRESSAVG: 2563400 39.0846 32.874 11.5425 34.5209 -36.3663 23.2915 12.4031 23.4084 -1.17134 TIMING: 2563400 CPU: 7428.45, 0.00288111/step Wall: 7428.45, 0.00288111/step, 1.95003 hours remaining, 209.988281 MB of memory in use. ENERGY: 2563400 760.6286 2056.5303 1971.1591 98.0954 -205957.3675 17553.4830 0.0000 0.0000 34111.9413 -149405.5297 297.9081 -183517.4711 -149304.5652 298.5950 -82.4842 -48.0672 557009.7993 0.4191 0.5157 PRESSURE: 2563600 -7.68142 -23.2189 -18.3266 -23.22 118.614 104.462 -18.3283 104.464 -390.529 GPRESSURE: 2563600 45.7377 49.5894 82.1396 -56.1213 144.519 40.2387 -20.7311 156.813 -360.389 PRESSAVG: 2563600 -0.119868 25.4137 64.6453 25.4136 3.77974 82.6394 64.6454 82.6394 2.36866 GPRESSAVG: 2563600 -1.07892 27.3148 65.4276 24.2852 4.01789 83.174 65.3523 80.7084 2.76086 TIMING: 2563600 CPU: 7429.02, 0.00288022/step Wall: 7429.02, 0.00288022/step, 1.94927 hours remaining, 209.988281 MB of memory in use. ENERGY: 2563600 785.5778 2038.6060 1961.7424 111.3007 -206351.3912 17811.4288 0.0000 0.0000 34199.8107 -149442.9249 298.6755 -183642.7355 -149354.2379 298.1024 -93.1985 -56.7110 556441.0585 2.0095 1.8999 PRESSURE: 2563800 -164.628 58.6149 73.9989 58.6138 -35.5504 -4.96993 74.0004 -4.96936 -95.4186 GPRESSURE: 2563800 -141.189 135.128 97.0434 34.1591 7.40754 -16.5878 3.03033 21.5164 -71.6661 PRESSAVG: 2563800 -18.0118 4.12535 -0.931741 4.12534 16.4319 22.3468 -0.931776 22.3468 -52.3068 GPRESSAVG: 2563800 -17.5864 3.1402 -1.81377 5.44179 16.6766 20.057 -0.23454 26.2683 -52.6484 TIMING: 2563800 CPU: 7429.6, 0.00287923/step Wall: 7429.6, 0.00287923/step, 1.94844 hours remaining, 209.988281 MB of memory in use. ENERGY: 2563800 770.2563 2057.2317 1944.7960 101.2884 -206077.1565 17594.6647 0.0000 0.0000 34199.0285 -149409.8909 298.6686 -183608.9194 -149318.9060 298.8785 -98.5322 -68.4825 556434.7922 -17.9622 -17.8527 PRESSURE: 2564000 -49.6166 51.2568 5.37968 51.2572 -235.607 -145.517 5.37841 -145.518 -211.786 GPRESSURE: 2564000 -42.1326 85.425 -17.2374 24.9914 -199.023 -88.8318 -81.2162 -243.617 -149.219 PRESSAVG: 2564000 -28.426 -23.8816 -4.39292 -23.8815 -24.6223 -34.6543 -4.39302 -34.6544 11.4025 GPRESSAVG: 2564000 -28.5428 -23.6268 -2.75302 -23.4893 -24.774 -32.7511 -4.83399 -37.5424 11.6478 TIMING: 2564000 CPU: 7430.17, 0.00286888/step Wall: 7430.17, 0.00286888/step, 1.94128 hours remaining, 209.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2564000 758.7653 2090.6563 1952.0719 111.5390 -205996.5456 17632.5050 0.0000 0.0000 34048.1403 -149402.8679 297.3509 -183451.0082 -149307.6176 298.4593 -165.6700 -130.1251 557432.2699 -13.8820 -13.8896 PRESSURE: 2564200 -234.962 175.422 -100.342 175.422 -262.675 235.516 -100.343 235.518 -130.592 GPRESSURE: 2564200 -143.221 8.87811 -52.856 168.335 -258.024 195.614 -154.122 261.023 -130.817 PRESSAVG: 2564200 -8.11814 21.4106 -1.68397 21.4105 -5.28262 -15.659 -1.68398 -15.659 11.5024 GPRESSAVG: 2564200 -7.25302 20.661 -2.497 18.7841 -6.57822 -15.1925 -2.82871 -14.8194 11.6259 TIMING: 2564200 CPU: 7430.75, 0.00288803/step Wall: 7430.75, 0.00288803/step, 1.95407 hours remaining, 209.988281 MB of memory in use. ENERGY: 2564200 728.5249 2116.8121 1963.9601 121.8078 -206171.2043 17608.8111 0.0000 0.0000 34349.2301 -149282.0582 299.9804 -183631.2883 -149187.3455 298.8779 -209.4097 -177.3541 557338.8195 -0.6328 -0.7351 LDB: ============= START OF LOAD BALANCING ============== 7434.14 LDB: ============== END OF LOAD BALANCING =============== 7434.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7434.14 LDB: ============= START OF LOAD BALANCING ============== 7434.43 LDB: Largest compute 4801 load 0.021814 is 18.5% of average load 0.117936 LDB: Average compute 0.001733 is 1.5% of average load 0.117936 LDB: TIME 7434.43 LOAD: AVG 0.117936 MAX 0.180203 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.699 MB LDB: TIME 7434.43 LOAD: AVG 0.117936 MAX 0.180203 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.699 MB LDB: TIME 7434.43 LOAD: AVG 0.117936 MAX 0.180203 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.699 MB LDB: ============== END OF LOAD BALANCING =============== 7434.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7434.43 PRESSURE: 2564400 -49.7024 -134.651 6.07031 -134.651 84.9762 10.0295 6.06993 10.0295 -129.063 GPRESSURE: 2564400 15.6658 -188.017 -8.12204 -61.4625 124.677 26.2922 18.7552 -15.2471 -134.261 PRESSAVG: 2564400 60.8319 20.3044 -32.7168 20.3044 5.13386 35.8444 -32.7169 35.8444 -51.1029 GPRESSAVG: 2564400 59.6375 19.4398 -33.0675 23.6572 6.42955 36.019 -30.9087 34.9766 -51.3381 TIMING: 2564400 CPU: 7431.34, 0.00293521/step Wall: 7431.34, 0.00293521/step, 1.98583 hours remaining, 209.621094 MB of memory in use. ENERGY: 2564400 761.5314 2108.4153 1940.6691 109.6332 -206237.4724 17753.8518 0.0000 0.0000 34149.1614 -149414.2102 298.2331 -183563.3716 -149309.7112 299.1906 -31.2631 2.0273 556166.2079 4.9543 4.9097 PRESSURE: 2564600 93.0427 178.648 -146.852 178.648 -197.161 -35.5094 -146.853 -35.5106 163.566 GPRESSURE: 2564600 51.9461 273.772 -114.902 65.6577 -127.264 -28.4434 -141.603 9.36778 229.685 PRESSAVG: 2564600 29.261 24.3712 -41.0873 24.3712 -17.4862 -11.9103 -41.0874 -11.9103 -10.2711 GPRESSAVG: 2564600 28.8539 27.4002 -40.1186 21.97 -17.2571 -12.1894 -41.5427 -12.4077 -9.8182 TIMING: 2564600 CPU: 7431.92, 0.00288589/step Wall: 7431.92, 0.00288588/step, 1.9523 hours remaining, 209.621094 MB of memory in use. ENERGY: 2564600 748.0354 2076.2469 1982.8586 108.5575 -206416.5849 17973.8218 0.0000 0.0000 34117.6539 -149409.4108 297.9580 -183527.0647 -149309.1714 298.7364 19.8160 51.4557 557400.5783 0.5012 0.5929 PRESSURE: 2564800 165.259 -10.6792 66.9635 -10.6779 -212.485 3.44988 66.964 3.44962 69.999 GPRESSURE: 2564800 147.604 4.80625 139.295 -9.06308 -184.554 -97.5986 -18.0282 61.8167 156.527 PRESSAVG: 2564800 19.4741 18.8696 2.75107 18.8697 -71.4362 -29.0175 2.7511 -29.0175 36.1465 GPRESSAVG: 2564800 20.3002 17.1589 3.09094 19.5929 -71.6868 -28.2964 2.06399 -27.9251 35.3954 TIMING: 2564800 CPU: 7432.5, 0.00291709/step Wall: 7432.5, 0.00291709/step, 1.97325 hours remaining, 209.621094 MB of memory in use. ENERGY: 2564800 742.5034 2085.9036 1956.9410 119.6648 -206102.8897 17745.5522 0.0000 0.0000 34101.2504 -149351.0743 297.8147 -183452.3247 -149256.5237 299.3240 7.5913 39.8589 557114.0558 -5.2719 -5.3304 PRESSURE: 2565000 321.549 -146.596 -57.9757 -146.595 138.342 -89.7318 -57.9768 -89.7322 -110.728 GPRESSURE: 2565000 336.02 -190.214 -70.2015 -138.783 190.316 -129.302 -62.4602 -128.305 -72.8211 PRESSAVG: 2565000 34.84 -20.8765 50.3693 -20.8765 -74.5474 12.4463 50.3692 12.4463 58.1578 GPRESSAVG: 2565000 33.9743 -20.6317 50.8231 -20.9558 -74.8264 11.9518 49.5258 11.1807 60.0747 TIMING: 2565000 CPU: 7433.08, 0.00289153/step Wall: 7433.08, 0.00289153/step, 1.9558 hours remaining, 209.621094 MB of memory in use. ENERGY: 2565000 752.3718 2122.6488 1957.2381 120.6045 -206368.2597 17869.4465 0.0000 0.0000 34214.4616 -149331.4885 298.8034 -183545.9501 -149233.6757 299.5222 116.3876 151.1718 555966.5260 6.1501 6.4075 PRESSURE: 2565200 -37.4083 -5.81718 -232.871 -5.81566 51.1472 177.997 -232.87 177.997 250.645 GPRESSURE: 2565200 -16.4434 -15.6427 -136.847 -47.947 66.7253 155.064 -247.675 171.575 292.636 PRESSAVG: 2565200 80.9264 32.5378 -43.3854 32.5378 -40.418 2.58713 -43.3854 2.5871 -24.5001 GPRESSAVG: 2565200 81.0204 33.2116 -42.6898 33.9226 -39.8103 3.54454 -43.7127 3.83186 -24.6314 TIMING: 2565200 CPU: 7433.65, 0.00288246/step Wall: 7433.65, 0.00288246/step, 1.9495 hours remaining, 209.621094 MB of memory in use. ENERGY: 2565200 785.0495 2092.7763 1948.6991 115.2953 -206188.9075 17817.8430 0.0000 0.0000 34227.2288 -149202.0155 298.9149 -183429.2443 -149103.4152 299.0416 88.1281 114.3061 557251.5438 5.3361 5.5262 PRESSURE: 2565400 -227.931 -208.151 27.8156 -208.15 -276.398 20.724 27.8158 20.7232 -262.364 GPRESSURE: 2565400 -165.929 -199.215 48.7211 -210.438 -245.945 -39.0233 38.3206 52.7055 -244.193 PRESSAVG: 2565400 3.31634 7.68367 -75.5926 7.68375 -12.5232 12.7997 -75.5926 12.7997 1.64586 GPRESSAVG: 2565400 3.57872 4.18783 -77.5178 6.86356 -12.706 11.5315 -74.2206 12.4717 1.35754 TIMING: 2565400 CPU: 7434.23, 0.00288236/step Wall: 7434.23, 0.00288236/step, 1.94928 hours remaining, 209.621094 MB of memory in use. ENERGY: 2565400 763.0037 2104.0185 1960.1346 116.1926 -206038.7215 17490.6856 0.0000 0.0000 34167.2610 -149437.4255 298.3912 -183604.6865 -149340.1851 298.5660 -255.5640 -218.6889 558088.4367 -2.5203 -2.5899 PRESSURE: 2565600 -217.142 -3.2861 -63.9027 -3.2866 -67.3701 5.44755 -63.9026 5.44808 -425.061 GPRESSURE: 2565600 -189.116 60.0717 -15.445 52.5119 -58.0389 -60.4321 -83.5983 49.596 -359.122 PRESSAVG: 2565600 9.3874 -26.1242 6.43284 -26.1242 -14.0369 17.7924 6.43276 17.7924 -6.81146 GPRESSAVG: 2565600 8.8567 -21.1484 6.95427 -28.7096 -14.0905 15.5339 7.81746 20.9925 -6.07045 TIMING: 2565600 CPU: 7434.81, 0.00289055/step Wall: 7434.81, 0.00289055/step, 1.95465 hours remaining, 209.621094 MB of memory in use. ENERGY: 2565600 758.7802 2102.6674 1965.1093 114.8804 -206118.6988 17605.3448 0.0000 0.0000 34177.4291 -149394.4875 298.4800 -183571.9166 -149286.2313 298.5268 -236.5243 -202.0922 558561.5228 -3.8203 -3.7681 PRESSURE: 2565800 182.104 -47.042 132.192 -47.0434 -16.8192 -85.809 132.192 -85.8101 -221.678 GPRESSURE: 2565800 215.464 -44.6663 111.848 8.93724 52.9962 -70.1713 171.686 -74.9043 -223.866 PRESSAVG: 2565800 -24.0557 32.1543 -50.5551 32.1542 -21.6053 -25.0061 -50.5551 -25.0061 50.0934 GPRESSAVG: 2565800 -22.1571 27.6305 -51.1809 35.4748 -23.3794 -22.9678 -52.6698 -28.1936 49.6899 TIMING: 2565800 CPU: 7435.39, 0.0028926/step Wall: 7435.39, 0.0028926/step, 1.95588 hours remaining, 209.621094 MB of memory in use. ENERGY: 2565800 780.6453 2122.1302 1966.0376 110.3030 -206406.9215 17900.3905 0.0000 0.0000 34165.5768 -149361.8382 298.3765 -183527.4149 -149272.8489 298.9319 -18.7977 14.8647 556265.9866 1.4775 1.3845 PRESSURE: 2566000 -81.0697 -68.1243 -88.5619 -68.1242 -37.5537 39.9823 -88.5605 39.983 191.083 GPRESSURE: 2566000 -49.8454 -43.6141 -93.7527 -172.369 -4.92654 -40.3814 -67.4405 27.9534 229.174 PRESSAVG: 2566000 30.8014 6.6585 20.9956 6.65841 -25.0265 -30.9658 20.9955 -30.9658 3.04839 GPRESSAVG: 2566000 28.2053 7.2327 21.7115 5.9203 -23.8851 -32.9137 20.1565 -28.4169 4.63976 TIMING: 2566000 CPU: 7435.96, 0.00288946/step Wall: 7435.96, 0.00288946/step, 1.95359 hours remaining, 209.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2566000 723.0318 2132.4530 1929.3494 124.8794 -206089.2694 17769.6180 0.0000 0.0000 34195.8776 -149214.0601 298.6411 -183409.9378 -149122.4658 298.4437 24.1532 58.1342 557560.6437 2.9411 2.9867 PRESSURE: 2566200 -6.79695 -9.93427 -18.1067 -9.93354 -41.3867 95.9832 -18.1067 95.9838 -26.066 GPRESSURE: 2566200 -1.75557 -80.9568 22.2313 55.3286 22.1039 58.7058 -40.4504 69.3908 17.926 PRESSAVG: 2566200 56.6991 -6.7301 -15.4015 -6.73004 -38.0095 4.12907 -15.4014 4.12899 29.4847 GPRESSAVG: 2566200 57.7167 -5.84679 -16.9279 -4.9494 -37.4666 3.99344 -13.8896 3.83884 27.9098 TIMING: 2566200 CPU: 7436.54, 0.00288694/step Wall: 7436.54, 0.00288694/step, 1.95173 hours remaining, 209.621094 MB of memory in use. ENERGY: 2566200 763.0983 2100.6615 1932.8307 110.9295 -206158.8550 17865.6053 0.0000 0.0000 34325.5359 -149060.1939 299.7734 -183385.7297 -148961.4700 299.4432 -24.7499 12.7581 556656.9228 16.0581 16.0533 PRESSURE: 2566400 318.817 148.767 102.273 148.767 34.7859 -106.784 102.272 -106.785 43.2655 GPRESSURE: 2566400 343.774 97.2488 -29.941 116.466 45.3615 -80.5046 181.947 -32.6671 98.4507 PRESSAVG: 2566400 39.0956 6.9675 27.7047 6.96754 -27.6038 16.0408 27.7047 16.0409 41.1615 GPRESSAVG: 2566400 40.4221 5.90817 26.1758 6.07223 -27.5211 17.5071 27.864 13.8919 40.2933 TIMING: 2566400 CPU: 7437.12, 0.00288096/step Wall: 7437.12, 0.00288096/step, 1.94753 hours remaining, 209.621094 MB of memory in use. ENERGY: 2566400 717.5587 2070.4437 1987.0078 108.1616 -205994.5320 17819.1141 0.0000 0.0000 34461.7855 -148830.4606 300.9633 -183292.2461 -148722.7961 300.2119 132.2896 162.5287 557506.4966 17.5511 17.7315 PRESSURE: 2566600 30.9731 41.0413 74.4755 41.0416 -365.201 158.111 74.4755 158.11 -218.894 GPRESSURE: 2566600 68.4475 113.445 8.67728 23.5639 -376.357 31.7499 118.223 159.726 -170.558 PRESSAVG: 2566600 67.2731 56.9273 -10.2767 56.9272 -56.8889 51.5121 -10.2768 51.512 13.46 GPRESSAVG: 2566600 66.5074 55.2462 -8.26793 57.03 -57.359 52.9265 -9.26815 53.1345 14.1216 TIMING: 2566600 CPU: 7437.69, 0.00288189/step Wall: 7437.69, 0.00288188/step, 1.94799 hours remaining, 209.621094 MB of memory in use. ENERGY: 2566600 746.4623 2015.5743 1984.4764 119.6866 -206003.6979 17631.0883 0.0000 0.0000 34432.7318 -149073.6782 300.7096 -183506.4099 -148977.3602 299.6556 -184.3741 -159.4890 558691.9027 7.9481 7.7566 PRESSURE: 2566800 121.759 -23.0172 -15.4392 -23.0172 -183.57 -204.581 -15.439 -204.582 11.9916 GPRESSURE: 2566800 147.663 -16.8767 -63.6832 -85.5667 -130.57 -218.771 25.1797 -166.902 29.741 PRESSAVG: 2566800 80.8803 33.1152 39.0819 33.1151 -88.4264 22.4139 39.0819 22.4139 2.12864 GPRESSAVG: 2566800 80.9494 34.7053 38.6135 32.2636 -87.3021 21.4859 38.8159 19.4888 1.3702 TIMING: 2566800 CPU: 7438.27, 0.00287923/step Wall: 7438.27, 0.00287923/step, 1.94604 hours remaining, 209.621094 MB of memory in use. ENERGY: 2566800 718.2638 2143.3816 1949.6427 103.5719 -206150.2282 17761.2570 0.0000 0.0000 34339.7412 -149134.3701 299.8975 -183474.1113 -149039.7433 299.1931 -16.6064 15.6115 559618.9655 -1.8058 -1.6608 PRESSURE: 2567000 223.516 86.2065 -47.6108 86.206 139.217 33.9123 -47.6104 33.9139 -49.0024 GPRESSURE: 2567000 296.487 123.906 -94.8421 17.8461 147.962 55.9323 -48.2249 -8.5418 -32.8534 PRESSAVG: 2567000 105.739 -16.511 -0.662874 -16.511 3.17771 -44.2222 -0.66288 -44.2222 -108.575 GPRESSAVG: 2567000 105.54 -15.6957 -2.51247 -17.2172 2.92107 -42.3927 0.355474 -40.4617 -107.89 TIMING: 2567000 CPU: 7438.85, 0.0028935/step Wall: 7438.85, 0.0028935/step, 1.95552 hours remaining, 209.621094 MB of memory in use. ENERGY: 2567000 744.9462 2093.4649 1932.2799 106.9594 -206469.5224 18038.3722 0.0000 0.0000 34391.2306 -149162.2692 300.3472 -183553.4998 -149064.3299 300.2599 104.5767 137.1987 557602.0733 0.1139 0.1906 PRESSURE: 2567200 369.431 59.0811 56.5618 59.0813 78.2479 -15.4434 56.5615 -15.4426 160.626 GPRESSURE: 2567200 398.072 68.1916 88.1241 37.7059 99.2385 54.3122 63.6288 1.65577 205.28 PRESSAVG: 2567200 54.9941 18.5388 23.9548 18.5388 -46.3515 40.0268 23.9548 40.0268 -14.1803 GPRESSAVG: 2567200 55.593 17.6953 25.61 19.5672 -46.6962 38.2603 23.2551 37.5882 -14.2759 TIMING: 2567200 CPU: 7439.43, 0.00290594/step Wall: 7439.43, 0.00290593/step, 1.96377 hours remaining, 209.621094 MB of memory in use. ENERGY: 2567200 710.8900 2089.2901 1950.8268 109.8548 -206606.1955 18170.2545 0.0000 0.0000 34329.5665 -149245.5127 299.8086 -183575.0792 -149147.4852 299.3111 202.7682 234.1969 557565.8619 -1.8459 -1.7930 PRESSURE: 2567400 345.984 -57.5561 -172.587 -57.5567 196.202 23.8382 -172.587 23.8386 11.0069 GPRESSURE: 2567400 368.405 -35.385 -225.61 -48.058 244.303 36.8107 -60.308 11.4719 34.3743 PRESSAVG: 2567400 0.467092 12.0317 18.2424 12.0316 7.36001 50.6259 18.2424 50.626 25.8475 GPRESSAVG: 2567400 0.335098 13.8974 17.2399 10.6191 6.72867 51.653 19.6136 50.9419 26.0963 TIMING: 2567400 CPU: 7440.01, 0.00290342/step Wall: 7440.01, 0.00290342/step, 1.96191 hours remaining, 209.621094 MB of memory in use. ENERGY: 2567400 728.6659 2060.0533 1947.4688 111.8647 -206523.0369 18146.9784 0.0000 0.0000 34345.8864 -149182.1194 299.9512 -183528.0058 -149085.5676 299.8205 184.3976 215.6940 557971.7041 11.2249 11.0534 PRESSURE: 2567600 158.287 -140.113 265.548 -140.112 199.485 257.489 265.548 257.491 42.6996 GPRESSURE: 2567600 199.604 -190.422 310.494 -90.6791 237.236 227.668 183.507 163.835 67.1789 PRESSAVG: 2567600 39.5651 -56.621 -6.56645 -56.621 -10.2997 55.8523 -6.56637 55.8523 -62.3741 GPRESSAVG: 2567600 40.3617 -55.7911 -4.23964 -56.2565 -9.99451 56.1415 -10.0181 56.0305 -63.1809 TIMING: 2567600 CPU: 7440.59, 0.00289472/step Wall: 7440.59, 0.00289472/step, 1.95587 hours remaining, 209.621094 MB of memory in use. ENERGY: 2567600 753.2374 2085.0924 1931.3605 114.6621 -206205.4272 17884.2689 0.0000 0.0000 34244.7846 -149192.0213 299.0682 -183436.8059 -149089.0684 299.2189 133.4905 168.0061 557393.6028 -11.0362 -10.9379 PRESSURE: 2567800 -54.9637 -99.6563 -33.1982 -99.6557 -35.6805 107.332 -33.1986 107.333 23.1937 GPRESSURE: 2567800 -34.7946 -125.782 -50.8723 -120.224 -26.1872 158.3 -66.091 74.768 96.132 PRESSAVG: 2567800 40.487 -24.7433 -62.9697 -24.7433 15.6295 61.0094 -62.9696 61.0094 -73.7262 GPRESSAVG: 2567800 40.2802 -24.7709 -63.3196 -24.7135 14.909 60.3837 -61.0831 62.9001 -73.0253 TIMING: 2567800 CPU: 7441.17, 0.00287787/step Wall: 7441.17, 0.00287787/step, 1.94432 hours remaining, 209.621094 MB of memory in use. ENERGY: 2567800 720.9163 2052.2178 1954.6805 106.1123 -205879.9495 17530.9480 0.0000 0.0000 34425.8637 -149089.2109 300.6496 -183515.0746 -148990.1703 299.9848 -22.4835 11.7167 556945.7672 -5.8699 -5.9454 PRESSURE: 2568000 152.403 -78.0141 16.0114 -78.0135 150.406 103.764 16.0125 103.763 283.925 GPRESSURE: 2568000 200.509 -16.4169 -39.8192 -62.5065 147.264 87.7023 56.0277 149.372 322.662 PRESSAVG: 2568000 22.771 -31.3071 -21.9798 -31.3071 -16.6315 70.0301 -21.9798 70.0302 32.8328 GPRESSAVG: 2568000 22.2274 -33.245 -22.0909 -29.7465 -15.9319 69.6647 -22.3084 70.0981 32.6689 TIMING: 2568000 CPU: 7441.74, 0.00288961/step Wall: 7441.74, 0.00288961/step, 1.95209 hours remaining, 209.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2568000 744.5096 2114.5238 1941.0286 117.1301 -206216.2872 18017.3041 0.0000 0.0000 34185.6334 -149096.1577 298.5516 -183281.7911 -149002.1957 299.9637 195.5781 223.4784 555592.9435 12.9908 12.9881 PRESSURE: 2568200 124.582 -132.853 113.84 -132.852 -58.8573 62.0855 113.839 62.0852 175.577 GPRESSURE: 2568200 142.223 -74.7632 32.4236 -144.135 23.3646 109.453 125.467 -8.68524 174.964 PRESSAVG: 2568200 64.2548 -22.8432 -48.1891 -22.8433 -28.4228 21.8129 -48.1891 21.8129 24.9677 GPRESSAVG: 2568200 64.0479 -22.6718 -48.2164 -23.8625 -27.0204 20.5371 -47.473 21.6386 23.9639 TIMING: 2568200 CPU: 7442.32, 0.00290019/step Wall: 7442.32, 0.00290019/step, 1.95908 hours remaining, 209.824219 MB of memory in use. ENERGY: 2568200 736.3015 2058.3497 1950.5325 126.7254 -206222.6625 17817.4837 0.0000 0.0000 34233.5397 -149299.7300 298.9700 -183533.2697 -149205.6543 298.9739 80.4336 113.5173 557021.7101 20.2665 20.3305 LDB: ============= START OF LOAD BALANCING ============== 7445.71 LDB: ============== END OF LOAD BALANCING =============== 7445.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7445.71 LDB: ============= START OF LOAD BALANCING ============== 7446 LDB: Largest compute 4801 load 0.022723 is 19.3% of average load 0.117944 LDB: Average compute 0.001737 is 1.5% of average load 0.117944 LDB: TIME 7446 LOAD: AVG 0.117944 MAX 0.182766 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.469 MB LDB: TIME 7446 LOAD: AVG 0.117944 MAX 0.182766 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: TIME 7446 LOAD: AVG 0.117944 MAX 0.182766 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7446 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7446.01 PRESSURE: 2568400 104.526 -58.037 30.8947 -58.0383 -136.195 -103.63 30.8946 -103.63 281.77 GPRESSURE: 2568400 170.379 -57.099 40.4915 -66.6934 -146.461 -88.7823 75.1906 -65.4425 324.113 PRESSAVG: 2568400 2.71103 -64.0254 25.4816 -64.0254 -90.4671 63.9473 25.4816 63.9472 77.9524 GPRESSAVG: 2568400 2.20793 -62.7114 24.2338 -63.6145 -91.889 64.018 26.1817 63.9693 80.0371 TIMING: 2568400 CPU: 7442.91, 0.00295123/step Wall: 7442.91, 0.00295123/step, 1.9934 hours remaining, 211.289062 MB of memory in use. ENERGY: 2568400 723.8018 2125.9534 1953.7747 117.2839 -206270.7598 17790.3717 0.0000 0.0000 34294.2127 -149265.3615 299.4999 -183559.5742 -149171.4568 299.4008 83.3672 116.0104 555802.9578 -3.2679 -3.2147 PRESSURE: 2568600 201.088 -63.3146 2.05997 -63.3141 92.2777 85.9825 2.0582 85.9837 177.322 GPRESSURE: 2568600 200.208 -94.7874 32.8736 -45.5623 118.13 -10.3383 6.35931 72.3277 250.405 PRESSAVG: 2568600 -58.2817 -25.1509 -11.3436 -25.1509 4.1299 20.1527 -11.3435 20.1526 69.3644 GPRESSAVG: 2568600 -58.0578 -26.0961 -9.26762 -23.4871 3.70626 18.4419 -11.5711 20.8186 69.6741 TIMING: 2568600 CPU: 7443.49, 0.00289831/step Wall: 7443.49, 0.00289831/step, 1.95749 hours remaining, 211.546875 MB of memory in use. ENERGY: 2568600 725.3108 2124.2251 1949.7436 116.7702 -206628.9406 18211.3506 0.0000 0.0000 34142.7394 -149358.8010 298.1770 -183501.5404 -149264.0547 298.8376 156.8958 189.5810 557864.9608 5.0709 5.1075 PRESSURE: 2568800 -91.4946 -131.209 79.2977 -131.209 -80.1681 -181.032 79.2974 -181.031 95.0051 GPRESSURE: 2568800 -50.9376 -70.5314 89.8273 -137.797 18.0289 -219.098 82.3266 -120.368 55.5831 PRESSAVG: 2568800 -34.2611 -1.62559 0.211494 -1.62557 -18.3649 -22.5283 0.211541 -22.5282 59.4805 GPRESSAVG: 2568800 -34.5578 -3.66406 1.24208 -1.76455 -17.2457 -19.0474 -1.50773 -24.0934 58.4445 TIMING: 2568800 CPU: 7444.07, 0.00289906/step Wall: 7444.07, 0.00289906/step, 1.95783 hours remaining, 211.609375 MB of memory in use. ENERGY: 2568800 738.3439 2090.5452 1946.5297 113.5262 -206226.2855 17775.8995 0.0000 0.0000 34241.1244 -149320.3166 299.0363 -183561.4410 -149223.9088 299.3448 -25.5526 7.5582 556738.0804 2.2848 2.2136 PRESSURE: 2569000 -353.58 -23.4976 -24.0374 -23.4961 -56.7458 -100.796 -24.0383 -100.795 -70.9331 GPRESSURE: 2569000 -274.37 36.4045 -66.6523 0.771058 -53.6422 -128.698 16.8031 -85.1261 -55.9005 PRESSAVG: 2569000 -55.0199 48.7461 -27.9 48.7462 -36.1952 7.10557 -27.9001 7.10556 65.5638 GPRESSAVG: 2569000 -53.8247 50.8982 -29.824 47.114 -36.2546 6.23623 -27.2191 6.99142 64.5636 TIMING: 2569000 CPU: 7444.65, 0.00290186/step Wall: 7444.65, 0.00290186/step, 1.95956 hours remaining, 211.609375 MB of memory in use. ENERGY: 2569000 693.9111 2153.9284 1960.2839 120.7501 -206175.9440 17610.4121 0.0000 0.0000 34222.7410 -149413.9174 298.8757 -183636.6584 -149308.4558 298.6273 -160.4196 -127.9710 556771.6236 -8.5504 -8.5052 PRESSURE: 2569200 -7.43944 63.5421 -136.148 63.5438 54.4097 -141.723 -136.148 -141.723 28.9861 GPRESSURE: 2569200 -12.277 107.037 -148.937 -30.6103 92.1206 -177.654 -40.0789 -130.891 102.581 PRESSAVG: 2569200 38.9349 5.27223 -60.5592 5.27227 -7.6767 -51.9822 -60.5592 -51.9822 13.8664 GPRESSAVG: 2569200 37.8448 7.17897 -59.8793 3.9769 -7.93733 -50.8165 -59.8914 -51.9393 15.4285 TIMING: 2569200 CPU: 7445.23, 0.00289677/step Wall: 7445.23, 0.00289677/step, 1.95597 hours remaining, 211.609375 MB of memory in use. ENERGY: 2569200 753.7406 2100.3468 1962.1305 109.1692 -206733.2647 18034.8341 0.0000 0.0000 34217.0010 -149556.0425 298.8256 -183773.0435 -149458.9985 298.6319 25.3188 60.8081 556147.8017 15.0415 15.1120 PRESSURE: 2569400 -78.5302 8.30231 35.8443 8.30268 -47.7597 32.0983 35.844 32.0969 -53.8564 GPRESSURE: 2569400 -9.97796 9.13811 -25.9141 63.8977 22.1772 -10.7431 -46.0311 41.0828 -80.2555 PRESSAVG: 2569400 0.834742 -50.4572 -23.8439 -50.4571 13.3559 -32.6423 -23.844 -32.6424 -18.568 GPRESSAVG: 2569400 0.250196 -52.2472 -24.8289 -49.0365 13.0542 -34.5644 -23.8037 -31.2091 -18.3901 TIMING: 2569400 CPU: 7445.81, 0.00287764/step Wall: 7445.81, 0.00287764/step, 1.94289 hours remaining, 211.609375 MB of memory in use. ENERGY: 2569400 747.5043 2099.3619 1963.9768 103.4139 -206497.4785 17819.5850 0.0000 0.0000 34231.5166 -149532.1202 298.9523 -183763.6368 -149438.2595 297.3881 -60.0488 -22.6854 556453.8619 -1.4591 -1.6952 PRESSURE: 2569600 -181.542 -11.1203 128.156 -11.1203 -235.343 -46.9551 128.157 -46.9543 -134.212 GPRESSURE: 2569600 -156.234 -26.0794 200.342 -20.4098 -220.542 -83.3327 80.6621 -41.0743 -80.2895 PRESSAVG: 2569600 23.9763 50.7919 -37.7305 50.7919 48.3373 -28.3791 -37.7305 -28.3791 -31.7031 GPRESSAVG: 2569600 25.2496 49.8467 -36.2755 49.756 47.9627 -27.4653 -38.6946 -31.1234 -32.8679 TIMING: 2569600 CPU: 7446.38, 0.00287052/step Wall: 7446.38, 0.00287052/step, 1.93792 hours remaining, 211.609375 MB of memory in use. ENERGY: 2569600 777.9204 2061.1489 1978.3971 112.2986 -205970.6225 17463.1687 0.0000 0.0000 34160.5597 -149417.1291 298.3327 -183577.6888 -149309.4903 298.6753 -183.6990 -152.3553 556559.3721 13.5368 13.4481 PRESSURE: 2569800 41.8979 -67.378 51.8147 -67.3783 -72.8739 -154.904 51.8134 -154.904 -66.9462 GPRESSURE: 2569800 74.4742 -30.8282 20.502 -53.6685 -14.1627 -111.476 124.845 -177.413 -59.3416 PRESSAVG: 2569800 77.0794 29.8289 37.2088 29.8288 -65.7455 -22.6869 37.2089 -22.6869 -31.5885 GPRESSAVG: 2569800 76.7938 31.7404 36.9069 30.0685 -65.0611 -22.7856 36.7464 -21.6346 -31.4277 TIMING: 2569800 CPU: 7446.96, 0.00288293/step Wall: 7446.96, 0.00288293/step, 1.94614 hours remaining, 211.609375 MB of memory in use. ENERGY: 2569800 808.4657 2066.3411 1929.4513 114.9780 -206504.6899 17914.3241 0.0000 0.0000 34240.8438 -149430.2859 299.0338 -183671.1297 -149335.7087 298.5487 -32.6408 0.3233 555449.4755 -6.7515 -6.5650 PRESSURE: 2570000 87.1949 74.6393 -107.125 74.6383 -176.103 -61.2457 -107.125 -61.2442 -168.88 GPRESSURE: 2570000 139.01 95.2387 -167.798 8.21477 -119.677 6.23077 -8.34956 -78.3846 -180.977 PRESSAVG: 2570000 39.0315 -9.9709 -43.1962 -9.97088 -27.2684 46.2824 -43.1963 46.2824 -19.5325 GPRESSAVG: 2570000 38.5098 -13.2424 -44.1123 -9.64363 -27.0526 46.3094 -40.746 46.1634 -19.2932 TIMING: 2570000 CPU: 7447.54, 0.00288767/step Wall: 7447.54, 0.00288767/step, 1.94918 hours remaining, 211.609375 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: 2570000 780.2709 2129.0136 1952.0205 110.3940 -206366.7615 17729.3767 0.0000 0.0000 34219.9308 -149445.7551 298.8512 -183665.6859 -149342.6484 297.7124 -85.9293 -53.8812 556136.1939 -2.5898 -2.6120 PRESSURE: 2570200 38.3257 60.2424 -32.4232 60.2424 -246.394 101.346 -32.4231 101.346 -138.513 GPRESSURE: 2570200 71.8156 42.9689 -44.366 8.13436 -216.78 58.3918 -32.8774 57.7513 -99.5531 PRESSAVG: 2570200 70.9782 0.519803 24.634 0.519912 -60.9239 8.60614 24.634 8.60617 -2.59537 GPRESSAVG: 2570200 72.5726 2.76553 24.9864 0.689429 -61.6125 8.34425 22.3937 9.21431 -3.25143 TIMING: 2570200 CPU: 7448.11, 0.00287676/step Wall: 7448.11, 0.00287676/step, 1.94165 hours remaining, 211.609375 MB of memory in use. ENERGY: 2570200 803.5460 2109.1837 1962.5372 109.6884 -206569.4183 17956.8194 0.0000 0.0000 34315.1131 -149312.5304 299.6824 -183627.6435 -149212.6591 298.9715 -115.5271 -81.5058 557362.1121 2.4863 2.5695 PRESSURE: 2570400 -119.944 -102.603 43.4187 -102.602 -203.989 120.745 43.4188 120.745 -20.7473 GPRESSURE: 2570400 -46.5104 -31.2254 156.933 -115.909 -187.89 147.12 -23.5326 69.3905 -19.1756 PRESSAVG: 2570400 -61.6874 62.713 15.2584 62.713 7.6115 19.6618 15.2585 19.6618 40.3327 GPRESSAVG: 2570400 -64.3698 64.2954 16.1795 60.6537 9.87995 22.8933 16.6555 18.266 40.7328 TIMING: 2570400 CPU: 7448.69, 0.00288274/step Wall: 7448.69, 0.00288274/step, 1.94553 hours remaining, 211.609375 MB of memory in use. ENERGY: 2570400 734.9833 2098.5445 1964.4680 125.0714 -206182.1424 17673.0256 0.0000 0.0000 34092.5578 -149493.4919 297.7388 -183586.0497 -149393.1553 298.8804 -114.8934 -84.5254 558811.8772 -4.5811 -4.5857 PRESSURE: 2570600 382.109 120.773 13.3977 120.773 128.702 -1.63618 13.3973 -1.6357 -4.84123 GPRESSURE: 2570600 374.009 73.3893 -69.088 128.892 166.256 -16.2838 68.1402 107.855 55.1917 PRESSAVG: 2570600 20.6351 12.2133 15.2222 12.2134 -3.98791 -22.7831 15.2222 -22.7831 -73.5476 GPRESSAVG: 2570600 21.2818 9.94095 14.2246 14.5565 -5.96443 -24.4834 15.7487 -20.1233 -72.5709 TIMING: 2570600 CPU: 7449.27, 0.00289452/step Wall: 7449.27, 0.00289452/step, 1.95332 hours remaining, 211.609375 MB of memory in use. ENERGY: 2570600 810.5956 2147.4642 1931.9776 111.9159 -207115.9342 18194.4169 0.0000 0.0000 34251.9461 -149667.6178 299.1308 -183919.5640 -149569.6088 298.2993 168.6566 198.4854 556429.5259 -18.9668 -19.0845 PRESSURE: 2570800 189.586 159.519 -51.4227 159.52 45.9413 2.16259 -51.4227 2.16478 -26.3353 GPRESSURE: 2570800 155.818 60.2168 -92.5355 192.193 68.4529 54.2694 -43.237 -34.7997 87.105 PRESSAVG: 2570800 54.0061 -27.0236 -31.7641 -27.0235 21.7858 16.4661 -31.764 16.4661 26.6749 GPRESSAVG: 2570800 54.7185 -27.2247 -31.9849 -26.2092 22.2501 16.6252 -33.3001 15.7614 26.0516 TIMING: 2570800 CPU: 7449.85, 0.00288887/step Wall: 7449.85, 0.00288887/step, 1.94935 hours remaining, 211.609375 MB of memory in use. ENERGY: 2570800 769.3222 2079.2292 1949.0274 118.1974 -206618.5189 18026.1522 0.0000 0.0000 34090.5353 -149586.0552 297.7211 -183676.5905 -149485.1258 298.6031 69.7307 103.7921 556973.2621 34.1556 34.3401 PRESSURE: 2571000 161.876 154.367 43.3242 154.367 20.3818 31.3458 43.3245 31.3452 6.81501 GPRESSURE: 2571000 186.565 145.005 18.1579 128.258 45.6517 21.764 11.084 12.8596 57.4454 PRESSAVG: 2571000 -29.2227 29.6703 3.55478 29.6705 -40.2561 4.96219 3.55484 4.96215 25.231 GPRESSAVG: 2571000 -28.5509 31.9548 2.93328 27.1422 -40.1697 3.00515 3.17848 5.07969 24.6778 TIMING: 2571000 CPU: 7450.42, 0.00288659/step Wall: 7450.42, 0.00288659/step, 1.94765 hours remaining, 211.609375 MB of memory in use. ENERGY: 2571000 756.1552 2120.2296 1973.5830 104.0117 -206665.5907 18122.3583 0.0000 0.0000 34190.1723 -149399.0806 298.5913 -183589.2528 -149299.8178 298.7513 63.0244 96.5542 557573.1515 -14.7493 -14.6809 PRESSURE: 2571200 -161.79 121.569 25.9317 121.57 87.0314 125.374 25.9309 125.375 -37.8569 GPRESSURE: 2571200 -47.6411 119.872 88.1906 82.327 117.569 77.119 17.2509 187.01 -86.6317 PRESSAVG: 2571200 26.4843 25.5183 -28.691 25.5182 5.18216 33.3041 -28.691 33.3041 -36.4884 GPRESSAVG: 2571200 26.5875 23.8042 -26.7557 26.8384 4.39633 34.6293 -27.8075 32.9555 -35.6737 TIMING: 2571200 CPU: 7451, 0.00288652/step Wall: 7451, 0.00288652/step, 1.94744 hours remaining, 211.609375 MB of memory in use. ENERGY: 2571200 762.0233 2104.5162 1922.8694 120.5243 -206257.1939 17752.7193 0.0000 0.0000 34194.2697 -149400.2716 298.6271 -183594.5413 -149307.2389 299.0960 -37.5387 -5.5680 557130.2718 -1.6073 -1.5633 PRESSURE: 2571400 -137.002 -83.0544 6.12089 -83.0554 -171.358 -47.745 6.12001 -47.7443 127.385 GPRESSURE: 2571400 -119.369 -77.8479 -95.6428 -66.2607 -108.66 -78.0696 74.6989 34.18 157.468 PRESSAVG: 2571400 2.9195 31.1991 53.9874 31.1991 71.1536 39.9826 53.9874 39.9825 -64.6271 GPRESSAVG: 2571400 2.26616 30.2396 51.9698 31.2197 70.8692 37.6777 54.8468 41.6662 -63.9975 TIMING: 2571400 CPU: 7451.58, 0.00289369/step Wall: 7451.58, 0.00289369/step, 1.95211 hours remaining, 211.609375 MB of memory in use. ENERGY: 2571400 769.9913 2118.5315 1937.7824 112.1934 -206385.4014 17796.7017 0.0000 0.0000 34291.2942 -149358.9068 299.4744 -183650.2011 -149263.5762 298.6825 -60.3252 -23.5202 556640.6376 3.1487 3.0460 PRESSURE: 2571600 -368.834 -86.2603 44.6233 -86.2602 -92.5269 100.598 44.6234 100.596 162.117 GPRESSURE: 2571600 -371.068 -98.8154 29.9483 3.90421 -99.2259 172.629 -25.2068 121.857 267.821 PRESSAVG: 2571600 20.8263 7.73624 -8.47213 7.73629 22.8656 16.7793 -8.47215 16.7793 -75.3453 GPRESSAVG: 2571600 21.4275 8.79294 -7.65163 9.58069 22.7771 18.5549 -9.27835 16.717 -76.4734 TIMING: 2571600 CPU: 7452.15, 0.00287432/step Wall: 7452.15, 0.00287432/step, 1.93889 hours remaining, 211.609375 MB of memory in use. ENERGY: 2571600 761.6278 2133.2393 1952.5518 118.8927 -206458.0482 17688.0679 0.0000 0.0000 34403.5350 -149400.1338 300.4546 -183803.6687 -149306.7137 299.1055 -99.7479 -67.4911 556947.7357 -10.5512 -10.7563 PRESSURE: 2571800 -93.081 178.313 -74.4138 178.313 23.0825 150.217 -74.4139 150.215 -345.884 GPRESSURE: 2571800 -150.659 174.531 3.7842 203.36 100.993 147.618 -39.5622 108.699 -266.854 PRESSAVG: 2571800 -31.1569 -37.4696 7.73047 -37.4696 65.7048 33.2589 7.73055 33.259 1.91783 GPRESSAVG: 2571800 -31.0759 -38.3474 7.65337 -37.9806 66.2795 32.9751 8.13069 30.6192 1.49749 TIMING: 2571800 CPU: 7452.73, 0.00287484/step Wall: 7452.73, 0.00287484/step, 1.93908 hours remaining, 211.609375 MB of memory in use. ENERGY: 2571800 748.2916 2090.1013 1968.3443 111.3507 -206197.0609 17683.5671 0.0000 0.0000 34169.4583 -149425.9476 298.4104 -183595.4059 -149328.5087 298.9035 -138.6275 -105.5067 557469.2625 12.1552 12.2337 PRESSURE: 2572000 -49.2565 87.1333 103.303 87.1332 -117.554 -25.7834 103.303 -25.7844 6.61686 GPRESSURE: 2572000 12.6313 94.2558 162.624 104.174 -103.925 -41.7071 13.2559 -11.6285 38.8651 PRESSAVG: 2572000 -6.82186 -28.9965 24.2309 -28.9965 35.9803 -50.4153 24.2309 -50.4153 27.5337 GPRESSAVG: 2572000 -8.00354 -28.2326 24.3238 -29.5926 36.4143 -50.0553 26.9021 -49.4573 28.279 TIMING: 2572000 CPU: 7453.3, 0.00287709/step Wall: 7453.3, 0.00287709/step, 1.94044 hours remaining, 211.609375 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: 2572000 767.9254 2067.0688 1930.3154 119.9399 -206603.1790 17844.2852 0.0000 0.0000 34442.6009 -149431.0435 300.7958 -183873.6443 -149331.9793 299.1844 -53.3979 -17.4762 557234.5141 18.8974 18.8966 PRESSURE: 2572200 220.063 85.6459 67.35 85.6466 155.302 -122.056 67.3505 -122.055 128.977 GPRESSURE: 2572200 238.009 120.154 124.38 -16.006 228.342 -99.4149 57.6735 -63.596 125.883 PRESSAVG: 2572200 16.6742 -32.6919 -0.953088 -32.6918 -3.68997 -16.7201 -0.953037 -16.7201 -27.1783 GPRESSAVG: 2572200 16.8045 -32.9414 -0.406421 -33.0266 -3.72578 -16.0499 -3.46766 -17.0627 -27.4407 TIMING: 2572200 CPU: 7453.88, 0.0029031/step Wall: 7453.88, 0.0029031/step, 1.95782 hours remaining, 211.609375 MB of memory in use. ENERGY: 2572200 706.8788 2085.2043 1953.7538 112.5005 -206648.1520 18141.6292 0.0000 0.0000 34299.4650 -149348.7203 299.5458 -183648.1854 -149252.7606 299.8480 168.1144 197.4115 556230.6480 -4.7313 -4.7873 LDB: ============= START OF LOAD BALANCING ============== 7457.27 LDB: ============== END OF LOAD BALANCING =============== 7457.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.27 LDB: ============= START OF LOAD BALANCING ============== 7457.56 LDB: Largest compute 4801 load 0.022989 is 19.5% of average load 0.117975 LDB: Average compute 0.001736 is 1.5% of average load 0.117975 LDB: TIME 7457.56 LOAD: AVG 0.117975 MAX 0.180609 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.586 MB LDB: TIME 7457.56 LOAD: AVG 0.117975 MAX 0.180609 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.586 MB LDB: TIME 7457.56 LOAD: AVG 0.117975 MAX 0.180609 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.586 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7457.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.57 PRESSURE: 2572400 -109.685 -3.49944 16.7989 -3.50141 -320.217 -185.335 16.7984 -185.336 -105.164 GPRESSURE: 2572400 -3.91805 63.7531 52.3135 -23.9605 -296.141 -214.054 59.6452 -178.568 -143.574 PRESSAVG: 2572400 26.2561 -16.2683 -9.80199 -16.2683 0.389761 50.7824 -9.8019 50.7824 32.6842 GPRESSAVG: 2572400 25.9951 -15.7954 -10.0983 -14.7076 1.13316 49.1967 -9.26699 51.6641 32.0682 TIMING: 2572400 CPU: 7454.47, 0.00293331/step Wall: 7454.47, 0.00293331/step, 1.97803 hours remaining, 208.007812 MB of memory in use. ENERGY: 2572400 763.5116 2110.2885 1948.8250 115.2661 -206014.8168 17581.2916 0.0000 0.0000 34135.8302 -149359.8038 298.1167 -183495.6340 -149263.9975 299.2952 -178.3556 -147.8777 556567.5039 19.7767 19.7321 PRESSURE: 2572600 232.595 -121.724 -31.9409 -121.724 31.6904 -144.827 -31.9399 -144.827 167.158 GPRESSURE: 2572600 285.953 -66.9297 -39.398 -88.8716 41.4315 -110.019 0.11189 -220.391 197.347 PRESSAVG: 2572600 73.2592 -41.3601 26.5115 -41.3601 -48.9382 -33.1784 26.5115 -33.1785 -30.0184 GPRESSAVG: 2572600 73.8999 -39.0938 27.5484 -43.5107 -50.5598 -33.2299 23.9343 -32.7218 -28.78 TIMING: 2572600 CPU: 7455.05, 0.00289961/step Wall: 7455.05, 0.00289961/step, 1.95514 hours remaining, 208.207031 MB of memory in use. ENERGY: 2572600 726.8175 2099.5775 1932.2569 116.5414 -206703.7970 18074.5254 0.0000 0.0000 34317.2565 -149436.8217 299.7011 -183754.0782 -149337.7387 298.6992 143.8143 174.9103 555021.2375 -1.8991 -1.8133 PRESSURE: 2572800 -183.996 -3.43243 -129.929 -3.43146 -118.153 -40.3409 -129.93 -40.3387 -177.881 GPRESSURE: 2572800 -170.996 -79.6296 -124.281 15.2768 -53.923 5.53543 -85.9233 -84.0249 -162.93 PRESSAVG: 2572800 -23.0327 -55.6653 -26.0147 -55.6652 2.8498 -25.5333 -26.0147 -25.5333 -7.49977 GPRESSAVG: 2572800 -23.159 -57.8806 -26.2015 -53.322 3.59813 -25.5779 -24.1978 -24.5394 -7.73456 TIMING: 2572800 CPU: 7455.63, 0.00287487/step Wall: 7455.63, 0.00287487/step, 1.9383 hours remaining, 208.207031 MB of memory in use. ENERGY: 2572800 750.9246 2094.1990 1942.3261 110.5099 -205935.5504 17701.2899 0.0000 0.0000 34228.3039 -149107.9970 298.9243 -183336.3009 -149013.8957 299.4801 -160.0100 -129.2830 558601.8650 -9.2276 -9.0985 PRESSURE: 2573000 -58.9264 -140.61 88.6184 -140.611 41.9402 79.9966 88.6185 79.9975 6.41901 GPRESSURE: 2573000 27.7679 -216.014 102.301 -138.816 59.3584 -57.0439 90.8108 135.481 9.71586 PRESSAVG: 2573000 50.3585 -35.4203 22.5112 -35.4204 31.723 0.413467 22.5111 0.41345 -81.9692 GPRESSAVG: 2573000 50.1573 -36.6591 20.7253 -35.4863 31.743 0.620019 22.5683 0.484967 -82.5223 TIMING: 2573000 CPU: 7456.2, 0.00289294/step Wall: 7456.2, 0.00289294/step, 1.95032 hours remaining, 208.207031 MB of memory in use. ENERGY: 2573000 744.7262 2148.0719 1978.8918 116.0261 -205957.8979 17869.5180 0.0000 0.0000 34009.0619 -149091.6019 297.0096 -183100.6638 -148990.2423 299.2623 -3.5224 32.2807 558964.7441 0.0374 -0.2073 PRESSURE: 2573200 -256.541 131.459 215.347 131.459 116.69 141.476 215.348 141.477 -127.208 GPRESSURE: 2573200 -185.491 209.112 154.688 106.547 153.595 70.4222 264.417 133.521 -134.045 PRESSAVG: 2573200 -26.5402 32.5198 -6.68977 32.5198 -1.70329 31.1379 -6.68975 31.138 14.8427 GPRESSAVG: 2573200 -25.8666 34.3206 -4.18648 32.0528 -2.69997 30.7548 -6.83555 29.5819 15.362 TIMING: 2573200 CPU: 7456.79, 0.00290446/step Wall: 7456.79, 0.00290446/step, 1.95793 hours remaining, 208.207031 MB of memory in use. ENERGY: 2573200 762.9026 2027.3009 1957.1728 107.7689 -206025.6580 17779.7649 0.0000 0.0000 34224.8951 -149165.8528 298.8945 -183390.7479 -149072.8679 299.4174 -89.0199 -55.3139 559227.8731 -4.4669 -4.4015 PRESSURE: 2573400 123.164 -184.508 176.644 -184.508 -88.5608 -114.08 176.644 -114.078 140.481 GPRESSURE: 2573400 138.142 -213.924 197.016 -203.86 -0.382595 -65.7452 231.441 -50.9384 115.006 PRESSAVG: 2573400 18.6913 -19.2913 65.8742 -19.2912 -36.6546 -12.9015 65.8741 -12.9015 -13.6188 GPRESSAVG: 2573400 18.0469 -18.715 64.3386 -20.518 -36.4218 -11.9016 64.7674 -13.1354 -12.6769 TIMING: 2573400 CPU: 7457.37, 0.00291523/step Wall: 7457.37, 0.00291523/step, 1.96502 hours remaining, 208.207031 MB of memory in use. ENERGY: 2573400 755.4510 2070.9349 1989.5490 119.5147 -206448.7725 18033.6313 0.0000 0.0000 34203.0660 -149276.6256 298.7039 -183479.6916 -149186.0889 299.0919 58.3615 84.2552 557972.2050 -10.5274 -10.3506 PRESSURE: 2573600 -197.834 12.4275 -146.769 12.4281 172.18 -52.7955 -146.769 -52.7965 -115.711 GPRESSURE: 2573600 -132.747 -29.8841 -123.953 29.765 130.975 -41.4781 -105.586 -38.262 -51.32 PRESSAVG: 2573600 -7.87379 16.4557 4.27961 16.4557 7.75848 -52.5685 4.27962 -52.5685 5.08877 GPRESSAVG: 2573600 -8.54527 14.8231 5.19774 18.1462 8.04184 -50.0908 4.91294 -54.0945 5.40416 TIMING: 2573600 CPU: 7457.95, 0.0029075/step Wall: 7457.95, 0.0029075/step, 1.95965 hours remaining, 208.207031 MB of memory in use. ENERGY: 2573600 785.7589 2089.1317 1947.2638 133.1046 -206331.0810 17763.1469 0.0000 0.0000 34321.8898 -149290.7852 299.7416 -183612.6750 -149193.4480 298.9734 -47.1216 -17.6974 558200.1838 1.6578 1.6336 PRESSURE: 2573800 22.1396 -154.686 -9.70621 -154.686 -111.47 -338.767 -9.70619 -338.767 -127.829 GPRESSURE: 2573800 61.668 -126.786 -56.5382 -201.505 -123.852 -220.446 58.986 -410.506 -61.449 PRESSAVG: 2573800 -46.7957 -26.8143 4.93302 -26.8142 -51.4255 -35.9592 4.93306 -35.9592 71.9411 GPRESSAVG: 2573800 -45.7849 -28.5248 2.16339 -27.1466 -50.884 -37.5905 5.20813 -33.7548 70.4985 TIMING: 2573800 CPU: 7458.54, 0.00293559/step Wall: 7458.54, 0.00293559/step, 1.97842 hours remaining, 208.207031 MB of memory in use. ENERGY: 2573800 750.0268 2134.9693 1978.0158 106.0750 -206414.8031 17777.2763 0.0000 0.0000 34298.0669 -149370.3730 299.5335 -183668.4399 -149274.4993 298.9885 -72.3865 -41.2111 557059.7252 -8.7600 -8.7235 PRESSURE: 2574000 -91.8416 207.318 -30.7379 207.32 158.853 23.8332 -30.738 23.8328 -35.1177 GPRESSURE: 2574000 -36.84 180.011 29.0048 175.777 195.184 47.6622 15.5058 83.4867 -29.7816 PRESSAVG: 2574000 -2.8986 2.4448 -22.0428 2.44482 62.6612 7.71556 -22.0427 7.71565 -51.1691 GPRESSAVG: 2574000 -3.33173 4.84501 -17.8758 0.29629 63.4359 7.9688 -24.1151 9.8115 -52.0733 TIMING: 2574000 CPU: 7459.12, 0.00292523/step Wall: 7459.12, 0.00292523/step, 1.97128 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2574000 768.9355 2119.5556 1958.7013 98.8436 -206386.2818 17858.2601 0.0000 0.0000 34111.4771 -149470.5086 297.9040 -183581.9857 -149370.7440 298.8163 10.6313 42.8541 555748.7887 2.8645 2.6770 PRESSURE: 2574200 -338.805 199.806 26.463 199.805 -212.53 48.4667 26.4636 48.4678 -159.338 GPRESSURE: 2574200 -300.037 188.092 11.3324 257.171 -149.254 -4.77449 10.2852 95.3443 -155.253 PRESSAVG: 2574200 -52.112 35.664 -74.621 35.6639 16.6468 13.6965 -74.621 13.6966 49.1707 GPRESSAVG: 2574200 -50.5875 34.3686 -78.3348 37.0268 15.1864 12.6848 -71.2177 10.8339 49.5013 TIMING: 2574200 CPU: 7459.7, 0.00288809/step Wall: 7459.7, 0.00288809/step, 1.94609 hours remaining, 208.410156 MB of memory in use. ENERGY: 2574200 705.6720 2130.1712 1941.8934 117.5540 -206280.3997 17552.7206 0.0000 0.0000 34423.2685 -149409.1201 300.6270 -183832.3885 -149310.7562 298.8615 -236.8910 -201.5148 555870.6672 4.5685 4.7001 PRESSURE: 2574400 152.302 -171.855 -1.09921 -171.856 292.492 -1.1845 -1.1 -1.1857 112.073 GPRESSURE: 2574400 114.186 -198.065 -77.7439 -111.266 317.925 -16.014 -1.29224 -21.9043 199.414 PRESSAVG: 2574400 -23.9385 -14.6965 -11.0631 -14.6965 19.2544 58.7809 -11.0631 58.781 4.93969 GPRESSAVG: 2574400 -23.8372 -15.4908 -9.32784 -12.9106 18.8317 61.0429 -13.9829 59.7014 5.07474 TIMING: 2574400 CPU: 7460.27, 0.00287193/step Wall: 7460.27, 0.00287193/step, 1.93504 hours remaining, 208.410156 MB of memory in use. ENERGY: 2574400 751.0736 2160.7454 1966.6053 126.3415 -206628.0384 18153.0131 0.0000 0.0000 34249.1672 -149221.0924 299.1065 -183470.2596 -149127.4162 298.5726 185.6225 210.5086 555697.8362 0.0852 0.0231 PRESSURE: 2574600 319.369 -47.6862 127.169 -47.6859 92.2931 -67.4338 127.169 -67.4347 147.411 GPRESSURE: 2574600 377.174 -3.82593 143.154 -101.157 112.351 -98.1527 83.0399 -31.1667 156.078 PRESSAVG: 2574600 -48.0803 -2.46051 -41.9909 -2.46049 8.22737 -14.151 -41.9909 -14.151 27.7463 GPRESSAVG: 2574600 -48.7775 0.657355 -42.6516 -4.27431 9.1897 -17.3089 -40.8909 -12.3475 27.7822 TIMING: 2574600 CPU: 7460.85, 0.00289284/step Wall: 7460.85, 0.00289284/step, 1.94897 hours remaining, 208.410156 MB of memory in use. ENERGY: 2574600 779.4122 2177.1672 1941.1936 113.3798 -206595.3281 18019.7221 0.0000 0.0000 34419.4332 -149145.0199 300.5935 -183564.4531 -149047.9885 299.1503 186.3578 215.2009 556903.1038 -4.0355 -3.9352 PRESSURE: 2574800 115.402 96.6071 8.2113 96.6065 14.9591 -181.494 8.21174 -181.495 49.1306 GPRESSURE: 2574800 166.022 148.532 -29.4331 19.7804 29.3983 -141.489 48.1364 -254.892 92.2792 PRESSAVG: 2574800 -30.078 17.211 1.56844 17.2111 33.664 -27.2883 1.56839 -27.2883 -1.7965 GPRESSAVG: 2574800 -29.8101 16.1007 1.59742 15.8092 33.536 -26.3484 1.95569 -27.683 -1.25909 TIMING: 2574800 CPU: 7461.43, 0.00289393/step Wall: 7461.43, 0.00289393/step, 1.94955 hours remaining, 208.410156 MB of memory in use. ENERGY: 2574800 711.2842 2159.7778 1982.1214 117.2743 -206239.8058 17780.4739 0.0000 0.0000 34256.0561 -149232.8182 299.1667 -183488.8743 -149141.5751 299.7604 59.8306 95.8998 557118.7956 0.5965 0.8223 PRESSURE: 2575000 242.222 128.289 -284.066 128.29 26.4895 -158.835 -284.066 -158.834 -224.852 GPRESSURE: 2575000 283.633 46.7854 -208.347 147.649 11.229 -83.4279 -361.024 -204.152 -152.602 PRESSAVG: 2575000 18.4628 66.07 8.0746 66.0702 -28.3022 -34.1649 8.07459 -34.165 51.6274 GPRESSAVG: 2575000 18.2163 65.9278 7.55212 66.6688 -28.3816 -32.0211 9.50905 -35.483 51.8023 TIMING: 2575000 CPU: 7462.01, 0.00286943/step Wall: 7462.01, 0.00286943/step, 1.93288 hours remaining, 208.410156 MB of memory in use. ENERGY: 2575000 752.3663 2082.6763 1962.9579 110.4802 -206169.6111 17712.7519 0.0000 0.0000 34233.8559 -149314.5226 298.9728 -183548.3785 -149218.5231 299.4700 14.6199 47.4199 555537.5841 13.9293 13.8790 PRESSURE: 2575200 -363.676 -99.5017 -63.3873 -99.5015 -242.44 -96.684 -63.388 -96.6842 -280.726 GPRESSURE: 2575200 -306.966 -47.0119 -115.293 -160.43 -218.804 -178.452 -70.4436 -106.552 -261.618 PRESSAVG: 2575200 21.6463 36.3717 -4.85851 36.3717 -42.3014 -28.7901 -4.85849 -28.7901 18.883 GPRESSAVG: 2575200 22.9959 36.8787 -3.2437 36.6519 -42.2195 -30.9341 -5.89854 -25.7392 17.3367 TIMING: 2575200 CPU: 7462.58, 0.00289732/step Wall: 7462.58, 0.00289732/step, 1.95151 hours remaining, 208.410156 MB of memory in use. ENERGY: 2575200 789.2145 2137.2471 1930.1766 104.2965 -205971.8706 17460.6708 0.0000 0.0000 34267.0083 -149283.2568 299.2623 -183550.2651 -149189.4852 298.9563 -295.6140 -262.4625 557530.5006 -0.5907 -0.6290 PRESSURE: 2575400 35.572 131.982 -219.83 131.982 -193.353 -18.8833 -219.832 -18.8818 -124.957 GPRESSURE: 2575400 10.6043 96.821 -256.054 56.2656 -101.778 40.3361 -131.65 -58.3855 -96.4327 PRESSAVG: 2575400 -56.3119 38.7143 10.5687 38.7144 37.7853 40.7689 10.5688 40.7689 54.51 GPRESSAVG: 2575400 -57.6075 37.3871 9.18893 39.0577 37.9726 41.6733 9.85935 39.2175 55.8379 TIMING: 2575400 CPU: 7463.16, 0.00288614/step Wall: 7463.16, 0.00288614/step, 1.94381 hours remaining, 208.410156 MB of memory in use. ENERGY: 2575400 749.7158 2111.1501 1946.0782 100.6329 -205987.9815 17639.2795 0.0000 0.0000 34310.1597 -149130.9653 299.6392 -183441.1251 -149028.5235 299.2948 -94.2461 -62.5355 558466.9827 11.9944 12.0677 PRESSURE: 2575600 -29.5433 158.266 -48.9241 158.266 102.034 -175.475 -48.9241 -175.474 194.204 GPRESSURE: 2575600 76.0679 182.084 -16.4909 135.971 94.9146 -60.0668 -67.9993 -207.908 193.747 PRESSAVG: 2575600 -13.0516 24.5596 8.49643 24.5597 24.8437 -5.90756 8.4964 -5.9076 35.3217 GPRESSAVG: 2575600 -10.793 24.2671 10.0987 24.7976 21.4829 -5.55196 7.33878 -5.07643 36.173 TIMING: 2575600 CPU: 7463.74, 0.00289325/step Wall: 7463.74, 0.00289325/step, 1.94844 hours remaining, 208.410156 MB of memory in use. ENERGY: 2575600 721.2231 2120.2155 1977.8070 130.9179 -206473.8867 17878.3008 0.0000 0.0000 34472.6177 -149172.8047 301.0579 -183645.4224 -149087.7173 299.8952 88.8980 121.5763 557237.2365 15.7046 15.6210 PRESSURE: 2575800 300.527 -165.759 -152.4 -165.758 -186.352 -19.9972 -152.402 -19.9968 -62.3875 GPRESSURE: 2575800 251.806 -215.205 -55.1212 -189.918 -117.945 -27.2586 -196.409 10.9598 22.7088 PRESSAVG: 2575800 -39.465 -3.34706 -31.1148 -3.34703 -18.514 -33.9556 -31.1148 -33.9555 30.6415 GPRESSAVG: 2575800 -41.2262 -3.11248 -32.1983 -4.85116 -14.9679 -33.6242 -30.6814 -33.5822 29.4118 TIMING: 2575800 CPU: 7464.33, 0.00293421/step Wall: 7464.33, 0.00293421/step, 1.97587 hours remaining, 208.410156 MB of memory in use. ENERGY: 2575800 747.6759 2085.5497 1990.0886 120.5757 -206275.8665 17780.3223 0.0000 0.0000 34277.2405 -149274.4138 299.3517 -183551.6544 -149175.7263 299.5469 17.2625 52.1899 555884.2725 -9.1125 -8.9274 PRESSURE: 2576000 72.3441 82.11 33.2853 82.1094 179.203 30.237 33.2862 30.2368 143.981 GPRESSURE: 2576000 71.6992 70.948 44.6464 60.0261 256.884 1.86701 87.9877 57.536 166.559 PRESSAVG: 2576000 -8.77781 14.0291 -51.2545 14.0292 22.2093 62.1462 -51.2545 62.1463 7.88224 GPRESSAVG: 2576000 -8.93035 13.4361 -50.8507 16.5394 21.5071 61.0941 -50.3209 62.0061 9.00623 TIMING: 2576000 CPU: 7464.91, 0.00292923/step Wall: 7464.91, 0.00292923/step, 1.97235 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2576000 770.0827 2138.4125 1935.4431 110.7878 -206443.9837 17941.4651 0.0000 0.0000 34178.9295 -149368.8629 298.4931 -183547.7924 -149274.3657 299.1369 131.8427 165.0475 555656.6500 7.1046 7.1943 PRESSURE: 2576200 61.1607 57.1735 -82.9337 57.1731 -42.8213 -144.669 -82.934 -144.667 -145.022 GPRESSURE: 2576200 65.4318 -4.89694 -35.5246 62.2975 -27.7145 -145.842 -103.421 -144.436 -75.2552 PRESSAVG: 2576200 30.1072 -11.3782 7.05922 -11.3782 -107.544 -8.50499 7.05926 -8.50509 54.707 GPRESSAVG: 2576200 29.7876 -11.2126 6.94064 -12.249 -106.498 -7.3623 6.14561 -9.59623 54.0306 TIMING: 2576200 CPU: 7465.49, 0.00288979/step Wall: 7465.49, 0.00288979/step, 1.94563 hours remaining, 208.410156 MB of memory in use. ENERGY: 2576200 730.9750 2171.2994 1954.1484 112.3510 -206316.4709 17668.5104 0.0000 0.0000 34324.0272 -149355.1596 299.7603 -183679.1867 -149260.4432 298.8068 -42.2277 -12.5126 556209.5746 -7.5765 -7.5600 LDB: ============= START OF LOAD BALANCING ============== 7468.88 LDB: ============== END OF LOAD BALANCING =============== 7468.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7468.88 LDB: ============= START OF LOAD BALANCING ============== 7469.17 LDB: Largest compute 4801 load 0.022961 is 19.5% of average load 0.118003 LDB: Average compute 0.001744 is 1.5% of average load 0.118003 LDB: TIME 7469.17 LOAD: AVG 0.118003 MAX 0.179833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.781 MB LDB: TIME 7469.17 LOAD: AVG 0.118003 MAX 0.179833 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.98 MB LDB: TIME 7469.17 LOAD: AVG 0.118003 MAX 0.179833 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.98 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7469.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7469.18 PRESSURE: 2576400 81.3612 11.9044 -116.397 11.9052 -181.762 78.3036 -116.397 78.3037 35.3629 GPRESSURE: 2576400 113.539 -2.80795 -77.5164 42.0916 -178.209 19.8204 -154.314 243.457 91.807 PRESSAVG: 2576400 57.5758 -6.87143 0.306247 -6.87138 -30.2969 -41.2085 0.306222 -41.2085 -39.133 GPRESSAVG: 2576400 58.0646 -4.80639 -2.52815 -7.15217 -30.7877 -42.463 2.8454 -39.6814 -39.0115 TIMING: 2576400 CPU: 7466.08, 0.00295753/step Wall: 7466.08, 0.00295753/step, 1.99108 hours remaining, 210.195312 MB of memory in use. ENERGY: 2576400 775.2734 2101.3797 1961.9322 109.5136 -206439.5759 17891.4393 0.0000 0.0000 34099.0197 -149501.0181 297.7952 -183600.0378 -149401.6003 298.3307 -21.6794 9.0456 556757.6229 -3.9513 -3.9115 PRESSURE: 2576600 -251.694 -203.097 -32.1879 -203.097 42.4654 -39.1995 -32.1883 -39.1993 -344.445 GPRESSURE: 2576600 -215.419 -180.88 -70.8521 -214.878 0.0413657 -28.3415 -33.4408 -57.3167 -250.612 PRESSAVG: 2576600 14.7131 13.794 -23.759 13.7941 -27.5303 16.6198 -23.7589 16.6198 16.888 GPRESSAVG: 2576600 15.2746 14.1136 -20.8223 13.5253 -28.0377 17.806 -26.5101 14.2261 16.7013 TIMING: 2576600 CPU: 7466.66, 0.00289899/step Wall: 7466.66, 0.00289899/step, 1.9515 hours remaining, 210.789062 MB of memory in use. ENERGY: 2576600 735.8404 2075.6202 1962.4460 113.4863 -205751.9899 17417.6995 0.0000 0.0000 33948.5694 -149498.3280 296.4813 -183446.8974 -149394.7579 298.6195 -184.5578 -155.3298 557440.0550 1.3570 1.3127 PRESSURE: 2576800 248.966 3.56178 252.513 3.5609 140.098 -60.7721 252.513 -60.771 28.1992 GPRESSURE: 2576800 240.236 -13.5433 209.081 25.8374 220.328 -18.1462 269.657 -177.965 49.3519 PRESSAVG: 2576800 -9.16792 -30.2841 -16.2923 -30.2842 26.8313 -34.3414 -16.2924 -34.3416 -52.3665 GPRESSAVG: 2576800 -10.1375 -31.3201 -15.4749 -29.1133 27.9648 -32.8068 -14.67 -35.2501 -52.7604 TIMING: 2576800 CPU: 7467.24, 0.0029059/step Wall: 7467.24, 0.0029059/step, 1.95599 hours remaining, 210.789062 MB of memory in use. ENERGY: 2576800 742.9054 2065.0047 1972.2924 108.2484 -206620.5716 17977.3467 0.0000 0.0000 34296.3929 -149458.3811 299.5189 -183754.7741 -149359.1626 298.4708 139.0878 169.9719 556124.8996 -11.5677 -11.6444 PRESSURE: 2577000 -1.5759 87.2285 -86.8549 87.2283 131.518 -154.203 -86.8539 -154.204 -323.553 GPRESSURE: 2577000 35.1218 53.9221 -29.7643 97.8673 155.909 -213.775 -63.4811 -107.154 -289.05 PRESSAVG: 2577000 36.6803 -10.8178 50.469 -10.8177 25.9962 -34.0192 50.469 -34.0192 -45.9623 GPRESSAVG: 2577000 37.5768 -10.3675 49.541 -12.6287 24.8181 -35.6752 49.7491 -30.4881 -45.2374 TIMING: 2577000 CPU: 7467.82, 0.00288352/step Wall: 7467.82, 0.00288352/step, 1.94077 hours remaining, 210.789062 MB of memory in use. ENERGY: 2577000 749.8091 2049.6245 1930.7064 123.2188 -206063.4039 17611.9380 0.0000 0.0000 34156.1005 -149442.0066 298.2937 -183598.1070 -149339.1267 299.7908 -64.5368 -32.6733 557053.2869 5.5714 5.7192 PRESSURE: 2577200 4.97328 -23.0976 -45.6015 -23.0963 -138.291 -60.2274 -45.6016 -60.2268 69.7164 GPRESSURE: 2577200 5.10557 -31.2783 3.87077 -22.836 -110.335 -81.9603 -87.5809 -129.707 144.269 PRESSAVG: 2577200 -60.1404 13.4093 -23.7904 13.4094 61.2949 -54.8746 -23.7904 -54.8747 -2.19162 GPRESSAVG: 2577200 -60.3514 12.9929 -23.446 13.1241 61.2127 -52.9043 -23.0377 -55.2866 -1.60388 TIMING: 2577200 CPU: 7468.39, 0.0028682/step Wall: 7468.39, 0.0028682/step, 1.9303 hours remaining, 210.789062 MB of memory in use. ENERGY: 2577200 764.3278 2094.3974 1957.1421 115.9483 -206455.4449 17768.3165 0.0000 0.0000 34417.0075 -149338.3052 300.5723 -183755.3127 -149234.3198 298.8227 -21.2005 13.0132 557324.0152 -0.3457 -0.2475 PRESSURE: 2577400 -206.584 -113.656 -139.67 -113.656 38.8925 9.21479 -139.671 9.21381 23.1635 GPRESSURE: 2577400 -193.144 -108.795 -102.732 -132.378 59.7854 -22.6857 -109.351 38.0937 88.4627 PRESSAVG: 2577400 -11.8482 -87.9089 -5.23062 -87.9089 33.9536 18.8129 -5.23068 18.8129 4.68415 GPRESSAVG: 2577400 -11.6845 -87.8107 -5.11398 -87.878 35.4499 17.739 -6.13626 17.7203 3.6078 TIMING: 2577400 CPU: 7468.97, 0.00289554/step Wall: 7468.97, 0.00289554/step, 1.94854 hours remaining, 210.789062 MB of memory in use. ENERGY: 2577400 752.2514 2164.1217 1955.8558 125.8140 -206375.5321 17877.4015 0.0000 0.0000 34144.4017 -149355.6860 298.1916 -183500.0877 -149260.7778 299.1663 -48.1761 -14.9652 558216.6231 8.9298 9.1244 PRESSURE: 2577600 -71.7252 28.1169 -99.0214 28.1174 29.7246 -195.809 -99.0211 -195.809 -75.3898 GPRESSURE: 2577600 -15.4799 29.8295 -116.198 13.6272 37.4495 -116.623 -57.0442 -131.257 -44.5297 PRESSAVG: 2577600 -14.6161 -14.8024 30.5059 -14.8023 33.8901 6.32111 30.506 6.32109 -50.2311 GPRESSAVG: 2577600 -14.0577 -15.0712 30.1172 -13.98 33.8221 5.57917 30.5276 6.10696 -50.6257 TIMING: 2577600 CPU: 7469.55, 0.00289392/step Wall: 7469.55, 0.00289392/step, 1.94729 hours remaining, 210.789062 MB of memory in use. ENERGY: 2577600 747.4592 2168.3203 1927.6282 102.4775 -206092.7419 17804.8681 0.0000 0.0000 34070.5754 -149271.4132 297.5468 -183341.9886 -149179.3265 299.5019 -39.1301 -7.5200 559948.5461 -10.3190 -10.2871 PRESSURE: 2577800 7.06468 -103.047 -97.1794 -103.044 41.3425 28.4173 -97.1797 28.4167 -89.8565 GPRESSURE: 2577800 38.5505 -121.618 -161.921 -84.3371 70.595 119.304 -30.5308 59.8824 -65.1911 PRESSAVG: 2577800 21.6029 -51.2585 -3.49384 -51.2586 -7.28289 -61.3082 -3.49385 -61.3082 0.907862 GPRESSAVG: 2577800 21.5695 -51.0929 -5.32933 -51.2201 -9.39819 -60.353 -3.18792 -60.2715 3.08083 TIMING: 2577800 CPU: 7470.13, 0.00290338/step Wall: 7470.13, 0.00290338/step, 1.95349 hours remaining, 210.789062 MB of memory in use. ENERGY: 2577800 725.9423 2129.3595 1953.0950 125.9864 -205967.4833 17547.8495 0.0000 0.0000 34282.5999 -149202.6507 299.3985 -183485.2507 -149101.4538 299.6005 -13.8164 14.6514 557495.7058 5.0759 5.0840 PRESSURE: 2578000 -31.835 -75.3671 -69.9927 -75.3667 -459.481 -101.185 -69.992 -101.183 34.3784 GPRESSURE: 2578000 -47.5708 -98.0422 -93.9011 -50.3257 -386.744 -89.2275 -139.736 -72.0801 59.0496 PRESSAVG: 2578000 -20.9557 8.03204 -23.2938 8.03207 -14.0859 -59.2947 -23.2938 -59.2947 63.4298 GPRESSAVG: 2578000 -22.3365 6.74804 -20.6753 9.6122 -11.3069 -60.5257 -25.7176 -58.2096 62.1483 TIMING: 2578000 CPU: 7470.71, 0.00289132/step Wall: 7470.71, 0.00289132/step, 1.94522 hours remaining, 210.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2578000 745.3077 2096.9341 1946.3057 114.0389 -205817.9961 17558.2084 0.0000 0.0000 34214.4975 -149142.7037 298.8037 -183357.2012 -149057.4272 299.7633 -152.3126 -125.0885 557101.5032 9.4627 9.5016 PRESSURE: 2578200 168.596 238.829 -69.1071 238.83 -18.9536 -119.761 -69.1069 -119.762 10.5538 GPRESSURE: 2578200 193.871 200.668 5.81573 236.4 8.08123 -114.708 -129.333 -94.2709 43.1704 PRESSAVG: 2578200 5.31571 -40.4116 -43.5297 -40.4116 9.85709 -34.7446 -43.5297 -34.7445 -19.9008 GPRESSAVG: 2578200 7.10319 -37.1284 -45.8004 -43.0446 8.43557 -34.5675 -40.4337 -35.0711 -20.0586 TIMING: 2578200 CPU: 7471.29, 0.00288275/step Wall: 7471.29, 0.00288275/step, 1.93929 hours remaining, 210.789062 MB of memory in use. ENERGY: 2578200 736.4686 2092.6713 1956.4059 113.5226 -206158.9495 17822.1883 0.0000 0.0000 34117.6465 -149320.0463 297.9579 -183437.6928 -149225.2473 298.8046 53.3986 81.7076 556380.2468 -1.5760 -1.5066 PRESSURE: 2578400 -109.721 -86.5824 -84.559 -86.5821 -202.028 48.8235 -84.5608 48.8239 19.1163 GPRESSURE: 2578400 -111.417 -113.89 -131.468 -62.8233 -152.377 21.8421 -42.8602 70.3924 72.8024 PRESSAVG: 2578400 -2.34718 -68.3422 8.29029 -68.3422 -10.4116 25.3715 8.29025 25.3715 -12.119 GPRESSAVG: 2578400 -3.41904 -70.1428 9.35626 -66.2911 -9.63501 25.7025 7.17556 23.653 -12.0429 TIMING: 2578400 CPU: 7471.86, 0.00287985/step Wall: 7471.86, 0.00287985/step, 1.93718 hours remaining, 210.789062 MB of memory in use. ENERGY: 2578400 760.5111 2081.8948 1918.5701 115.7804 -206454.3014 17834.7999 0.0000 0.0000 34199.3567 -149543.3885 298.6715 -183742.7452 -149440.7220 298.2339 -97.5444 -63.6637 557210.7126 -8.2926 -8.3657 PRESSURE: 2578600 -59.4681 51.673 -84.4558 51.6728 -297.73 -98.401 -84.456 -98.4007 182.573 GPRESSURE: 2578600 -38.9735 50.1566 -56.7445 -43.5385 -209.608 -97.121 -100.93 -91.3609 166.421 PRESSAVG: 2578600 -28.5196 -67.5272 -33.6636 -67.5272 13.0005 31.2877 -33.6636 31.2876 -24.9017 GPRESSAVG: 2578600 -28.2909 -67.4079 -34.8869 -68.9181 12.6632 32.2173 -33.0758 31.1752 -24.8226 TIMING: 2578600 CPU: 7472.44, 0.00287241/step Wall: 7472.44, 0.00287241/step, 1.93202 hours remaining, 210.789062 MB of memory in use. ENERGY: 2578600 751.1158 2107.7165 1950.1212 100.2207 -206384.7859 17824.0997 0.0000 0.0000 34224.6472 -149426.8649 298.8924 -183651.5121 -149338.8716 298.0542 -58.2082 -27.3868 557191.1353 -13.4736 -13.4834 PRESSURE: 2578800 -6.50395 -35.4929 -197.347 -35.4933 -166.993 -53.3748 -197.347 -53.3753 6.3982 GPRESSURE: 2578800 46.8286 -0.650031 -131.413 -73.9816 -198.088 -39.5848 -178.658 -54.9282 73.2961 PRESSAVG: 2578800 31.1961 -39.5502 -13.2091 -39.5502 -54.788 -13.6437 -13.2091 -13.6437 -12.1762 GPRESSAVG: 2578800 31.4008 -39.0077 -11.403 -39.8555 -55.234 -14.3368 -14.6462 -11.8564 -11.6977 TIMING: 2578800 CPU: 7473.01, 0.00286823/step Wall: 7473.01, 0.00286823/step, 1.92905 hours remaining, 210.789062 MB of memory in use. ENERGY: 2578800 746.7937 2132.0703 1943.4787 112.5762 -206532.9923 17867.9304 0.0000 0.0000 34324.3759 -149405.7670 299.7633 -183730.1429 -149309.0044 298.5516 -55.6997 -25.9879 557073.9932 -11.9227 -11.8436 PRESSURE: 2579000 -24.0116 49.1925 -57.2194 49.1917 39.819 1.4959 -57.2193 1.4969 3.88213 GPRESSURE: 2579000 -43.8082 -26.3962 -24.2581 42.615 102.279 118.869 -78.1488 -56.4329 50.7908 PRESSAVG: 2579000 -63.8552 -9.06176 53.6058 -9.06173 62.6983 63.8384 53.6059 63.8384 -2.10132 GPRESSAVG: 2579000 -63.0239 -8.37795 54.4678 -7.98121 62.5563 64.3259 52.0208 61.7657 -3.27565 TIMING: 2579000 CPU: 7473.59, 0.00288817/step Wall: 7473.59, 0.00288817/step, 1.94229 hours remaining, 210.789062 MB of memory in use. ENERGY: 2579000 766.0389 2128.3975 1954.3959 114.9408 -206659.5030 17905.5837 0.0000 0.0000 34108.6688 -149681.4774 297.8795 -183790.1462 -149592.6425 298.9602 6.5632 36.4205 557337.5781 -1.0860 -1.2477 PRESSURE: 2579200 166.949 -74.5578 -77.5645 -74.5574 49.0309 71.8825 -77.5636 71.8821 335.811 GPRESSURE: 2579200 155.8 -105.525 -9.8967 -26.4863 130.622 49.5961 -79.8831 113.611 364.694 PRESSAVG: 2579200 -33.0061 -6.1727 -16.82 -6.17278 -2.11298 -16.2051 -16.8199 -16.2051 47.5565 GPRESSAVG: 2579200 -32.933 -6.78669 -16.7888 -5.17126 -2.54178 -15.2887 -14.6265 -17.1204 47.1999 TIMING: 2579200 CPU: 7474.17, 0.00291497/step Wall: 7474.17, 0.00291497/step, 1.96015 hours remaining, 210.789062 MB of memory in use. ENERGY: 2579200 752.8144 2161.2404 1968.0576 109.8276 -207072.3416 18140.0946 0.0000 0.0000 34160.5466 -149779.7604 298.3325 -183940.3070 -149689.9599 298.5471 183.9302 217.0386 556418.6582 4.1458 3.9084 PRESSURE: 2579400 143.874 -30.7238 41.1426 -30.7252 401.35 91.5628 41.1421 91.5626 -34.7334 GPRESSURE: 2579400 215.344 4.23825 37.7074 -44.5734 349.502 56.6823 -10.5809 116.678 34.8772 PRESSAVG: 2579400 16.2202 -16.1016 -50.8562 -16.1015 -21.9251 13.2107 -50.8562 13.2106 24.5904 GPRESSAVG: 2579400 16.806 -17.0035 -49.1044 -15.9176 -21.4434 11.4226 -52.6504 15.5649 24.5651 TIMING: 2579400 CPU: 7474.75, 0.00291187/step Wall: 7474.75, 0.00291187/step, 1.95791 hours remaining, 210.789062 MB of memory in use. ENERGY: 2579400 773.0624 2124.0658 1955.3702 116.3379 -207148.4967 18221.2979 0.0000 0.0000 34178.7262 -149779.6362 298.4913 -183958.3624 -149691.7518 297.9198 170.1635 199.9079 555598.9442 6.2952 6.6426 PRESSURE: 2579600 27.4139 66.3398 59.3659 66.3399 -32.9957 39.1845 59.3659 39.1828 -16.7078 GPRESSURE: 2579600 90.9677 13.8818 66.2269 44.5369 -33.8247 73.5793 128.692 51.9764 22.4089 PRESSAVG: 2579600 -9.43928 92.3672 -23.6988 92.3671 13.737 -55.3495 -23.6989 -55.3494 17.4776 GPRESSAVG: 2579600 -10.112 92.7192 -26.608 91.1143 13.9318 -52.2392 -22.3499 -57.0316 17.9396 TIMING: 2579600 CPU: 7475.33, 0.00288248/step Wall: 7475.33, 0.00288248/step, 1.93799 hours remaining, 210.789062 MB of memory in use. ENERGY: 2579600 734.7203 2025.4005 1970.0629 112.3767 -206823.3750 17959.5129 0.0000 0.0000 34196.9636 -149824.3382 298.6506 -184021.3018 -149725.5488 298.0312 -7.4299 26.5173 556878.1366 7.2584 7.2531 PRESSURE: 2579800 -150.484 6.33216 -15.437 6.33263 -329.327 156.255 -15.4374 156.255 -40.7589 GPRESSURE: 2579800 -109.319 -60.9939 -54.8962 -30.1955 -251.855 208.545 58.9572 154.9 -52.7553 PRESSAVG: 2579800 -32.4079 56.9974 8.74449 56.9974 -47.9651 76.8562 8.74452 76.8564 43.345 GPRESSAVG: 2579800 -31.6789 56.5783 8.90939 58.097 -47.9107 75.0492 11.1224 78.0371 42.2538 TIMING: 2579800 CPU: 7475.91, 0.00288808/step Wall: 7475.91, 0.00288808/step, 1.94159 hours remaining, 210.789062 MB of memory in use. ENERGY: 2579800 719.7329 2084.4693 1954.7863 105.5707 -206629.1863 17867.4331 0.0000 0.0000 34005.3493 -149891.8448 296.9772 -183897.1941 -149799.6839 297.2360 -173.5234 -137.9766 559788.7161 -12.3427 -12.4453 PRESSURE: 2580000 268.513 58.407 -15.0841 58.4059 45.6277 82.3673 -15.0842 82.3671 75.1617 GPRESSURE: 2580000 293.839 44.9548 -29.8861 -3.4065 57.5527 125.912 -15.598 91.5026 138.225 PRESSAVG: 2580000 -7.49874 35.2619 -52.8122 35.262 -1.6931 39.6217 -52.8123 39.6218 15.4406 GPRESSAVG: 2580000 -9.25094 36.9138 -53.2454 34.0667 -1.27894 40.3091 -54.587 38.5664 16.5516 TIMING: 2580000 CPU: 7476.5, 0.00293362/step Wall: 7476.5, 0.00293362/step, 1.97205 hours remaining, 210.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2580000 727.2863 2142.2180 1943.3393 106.8930 -207138.4799 18304.8552 0.0000 0.0000 34058.4580 -149855.4301 297.4410 -183913.8881 -149760.1909 297.2208 129.7676 163.2054 555932.0396 2.0829 2.0072 PRESSURE: 2580200 106.863 92.6074 4.76332 92.6059 -333.346 -32.7721 4.76349 -32.7719 -156.487 GPRESSURE: 2580200 204.29 -26.2803 34.6337 121.533 -337.924 -20.3035 -4.25645 -7.33417 -139.033 PRESSAVG: 2580200 29.8006 -13.161 17.065 -13.1609 -30.0695 -9.02539 17.0652 -9.02539 -1.998 GPRESSAVG: 2580200 31.2958 -13.9662 16.8712 -11.9405 -31.9542 -10.9098 17.0465 -8.83163 -1.49064 TIMING: 2580200 CPU: 7477.07, 0.00289168/step Wall: 7477.07, 0.00289168/step, 1.94369 hours remaining, 210.789062 MB of memory in use. ENERGY: 2580200 742.0074 2098.9864 1946.0929 106.1761 -206500.6878 17728.4264 0.0000 0.0000 33915.5141 -149963.4845 296.1926 -183878.9986 -149866.9853 297.0314 -127.6567 -90.8888 557898.1568 -0.7557 -0.7164 LDB: ============= START OF LOAD BALANCING ============== 7480.46 LDB: ============== END OF LOAD BALANCING =============== 7480.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7480.46 LDB: ============= START OF LOAD BALANCING ============== 7480.75 LDB: Largest compute 4800 load 0.024332 is 20.6% of average load 0.117916 LDB: Average compute 0.001745 is 1.5% of average load 0.117916 LDB: TIME 7480.76 LOAD: AVG 0.117916 MAX 0.180375 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.91 MB LDB: TIME 7480.76 LOAD: AVG 0.117916 MAX 0.180375 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: TIME 7480.76 LOAD: AVG 0.117916 MAX 0.180375 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7480.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7480.76 PRESSURE: 2580400 320.735 -144.962 119.068 -144.962 -36.8301 -18.7573 119.068 -18.7571 173.319 GPRESSURE: 2580400 360.915 -141.002 62.6405 -122.515 9.6515 -71.026 121.628 25.4983 189.214 PRESSAVG: 2580400 29.2151 -23.2366 23.3089 -23.2366 -5.25176 60.1944 23.3089 60.1942 -15.5487 GPRESSAVG: 2580400 28.1987 -23.9668 24.4387 -21.5385 -3.47918 61.0678 22.151 60.3714 -16.4898 TIMING: 2580400 CPU: 7477.67, 0.00296665/step Wall: 7477.67, 0.00296665/step, 1.99392 hours remaining, 209.242188 MB of memory in use. ENERGY: 2580400 752.7770 2129.4208 1933.3216 108.5870 -206938.5765 18204.8188 0.0000 0.0000 33987.1122 -149822.5390 296.8179 -183809.6512 -149725.7267 298.0669 152.4081 186.5936 557157.8330 2.8049 2.7432 PRESSURE: 2580600 183.183 -15.5921 9.78871 -15.5929 69.2352 -9.81378 9.7886 -9.81321 115.91 GPRESSURE: 2580600 187.201 -4.83037 -27.918 16.0251 120.752 -62.3327 -6.35988 -7.93607 158.277 PRESSAVG: 2580600 83.3116 -24.3534 33.5171 -24.3534 -70.3184 40.6939 33.517 40.6938 -70.5833 GPRESSAVG: 2580600 84.0072 -22.7114 31.5671 -26.3154 -70.7475 40.5114 33.9632 39.2264 -71.043 TIMING: 2580600 CPU: 7478.25, 0.00290273/step Wall: 7478.25, 0.00290273/step, 1.95079 hours remaining, 209.242188 MB of memory in use. ENERGY: 2580600 765.7929 2101.6378 1921.4418 112.8128 -206961.4195 18211.0574 0.0000 0.0000 34151.8279 -149696.8488 298.2564 -183848.6768 -149602.7471 297.5899 122.7761 155.4100 557372.5081 -19.1967 -19.2611 PRESSURE: 2580800 -137.53 -9.06903 3.2752 -9.0691 -81.8935 -111.974 3.27641 -111.975 -64.9335 GPRESSURE: 2580800 -79.7682 -8.16172 13.8604 65.1754 -66.1083 -192.064 -18.4862 -118.84 -32.3079 PRESSAVG: 2580800 20.8078 66.994 -30.4611 66.994 -3.64926 55.7627 -30.461 55.7626 -50.6816 GPRESSAVG: 2580800 19.761 66.3194 -30.9604 68.5235 -2.10435 56.5412 -29.7377 55.6926 -50.6772 TIMING: 2580800 CPU: 7478.83, 0.00292425/step Wall: 7478.83, 0.00292425/step, 1.96509 hours remaining, 209.242188 MB of memory in use. ENERGY: 2580800 755.7825 2138.0040 1955.3077 106.1348 -206301.3650 17637.4360 0.0000 0.0000 34135.5552 -149573.1448 298.1143 -183708.7000 -149482.6672 297.8721 -94.7857 -59.3948 556618.2230 -11.1744 -11.0068 PRESSURE: 2581000 -74.3008 7.17589 -0.190292 7.17624 235.353 -104.243 -0.190139 -104.242 -20.4946 GPRESSURE: 2581000 -42.9646 75.7249 10.289 3.58414 217.061 -46.4111 -48.6947 -147.52 69.0903 PRESSAVG: 2581000 -3.71362 11.2753 -54.4772 11.2753 -0.315667 -52.3222 -54.4771 -52.3223 -14.6619 GPRESSAVG: 2581000 -2.91167 13.0947 -53.3328 8.15066 -1.22776 -51.8158 -56.281 -51.5079 -13.8206 TIMING: 2581000 CPU: 7479.41, 0.0028912/step Wall: 7479.41, 0.0028912/step, 1.94272 hours remaining, 209.242188 MB of memory in use. ENERGY: 2581000 737.8444 2141.5055 1953.0053 106.4655 -206578.9321 17846.6268 0.0000 0.0000 34344.9580 -149448.5266 299.9431 -183793.4846 -149357.0102 298.0726 46.8526 81.0621 555802.7011 -6.2304 -5.9867 PRESSURE: 2581200 -20.856 122.468 23.3085 122.467 7.81875 -116.007 23.3082 -116.007 122.459 GPRESSURE: 2581200 -4.41178 64.1479 78.5285 182.618 72.637 -129.962 -45.4917 -33.3905 120.187 PRESSAVG: 2581200 -32.2413 44.0485 -9.80076 44.0486 -10.9954 1.22404 -9.80072 1.22406 23.785 GPRESSAVG: 2581200 -32.1616 41.6938 -9.19819 46.6258 -11.7255 1.40042 -8.46837 1.39224 24.0147 TIMING: 2581200 CPU: 7479.99, 0.00287274/step Wall: 7479.99, 0.00287274/step, 1.93016 hours remaining, 209.242188 MB of memory in use. ENERGY: 2581200 748.3192 2040.0292 1955.7455 114.0957 -206632.0419 18009.5106 0.0000 0.0000 34229.7947 -149534.5470 298.9373 -183764.3416 -149438.7034 298.8224 36.4738 62.8039 556426.8965 -6.4839 -6.6241 PRESSURE: 2581400 -21.8506 -165.691 -226.695 -165.692 -204.723 190.098 -226.694 190.097 128.463 GPRESSURE: 2581400 2.47538 -112.172 -158.115 -146.339 -153.629 234.276 -260.109 169.994 168.662 PRESSAVG: 2581400 -19.4219 10.3834 3.2997 10.3833 -44.8334 -2.01918 3.29972 -2.01915 83.3801 GPRESSAVG: 2581400 -19.0001 10.367 2.66529 9.81659 -44.9877 -1.32664 3.81097 -3.30015 83.0385 TIMING: 2581400 CPU: 7480.56, 0.0028789/step Wall: 7480.56, 0.0028789/step, 1.93414 hours remaining, 209.242188 MB of memory in use. ENERGY: 2581400 722.6871 2068.9068 1926.5881 123.1677 -206359.4691 17780.8911 0.0000 0.0000 34447.0301 -149290.1981 300.8345 -183737.2282 -149196.1802 299.2107 -32.7036 5.8359 556871.7091 6.3749 6.3502 PRESSURE: 2581600 39.5074 53.268 -100.774 53.2678 -270.757 -237.648 -100.774 -237.648 -31.3025 GPRESSURE: 2581600 59.1753 67.6503 -51.9247 -34.7761 -242.188 -214.234 -88.7041 -218.852 26.965 PRESSAVG: 2581600 -16.3076 12.7249 -28.4314 12.7249 -5.38906 -69.9479 -28.4315 -69.9479 18.7388 GPRESSAVG: 2581600 -15.7326 13.3066 -28.6357 12.7139 -5.08145 -72.905 -25.3712 -66.0147 18.0234 TIMING: 2581600 CPU: 7481.14, 0.00289192/step Wall: 7481.14, 0.00289192/step, 1.94273 hours remaining, 209.242188 MB of memory in use. ENERGY: 2581600 721.0068 2165.0022 1930.5408 118.5925 -205791.9714 17542.4581 0.0000 0.0000 34267.9427 -149046.4281 299.2705 -183314.3708 -148948.5239 299.9978 -87.5174 -52.0158 558042.7539 -0.9860 -0.9302 PRESSURE: 2581800 234.164 -60.9318 207.625 -60.9332 61.6818 -67.0308 207.624 -67.0297 -51.0085 GPRESSURE: 2581800 257.151 -31.7209 193.056 -52.7374 64.5601 -146.643 220.481 -90.0006 17.9612 PRESSAVG: 2581800 33.5668 29.9122 5.32532 29.9123 -63.9927 -47.9773 5.3252 -47.9773 -5.8797 GPRESSAVG: 2581800 32.5457 28.5412 6.00689 30.6922 -63.5669 -46.5134 2.42521 -51.6286 -5.40167 TIMING: 2581800 CPU: 7481.72, 0.0028892/step Wall: 7481.72, 0.0028892/step, 1.94074 hours remaining, 209.242188 MB of memory in use. ENERGY: 2581800 757.0382 2172.7938 1942.1188 106.9040 -206136.5826 18025.3841 0.0000 0.0000 34265.4929 -148866.8508 299.2491 -183132.3437 -148768.5062 299.9879 81.6126 113.2240 557207.8776 -12.1019 -12.1410 PRESSURE: 2582000 -62.0091 9.31651 27.1255 9.31625 48.5555 6.63457 27.1252 6.63634 -3.68405 GPRESSURE: 2582000 12.472 48.8229 -9.37174 -39.1244 24.417 39.5387 46.9631 -38.5104 39.9426 PRESSAVG: 2582000 14.2704 -3.21642 6.32117 -3.21634 -72.2079 65.0191 6.32125 65.0192 79.175 GPRESSAVG: 2582000 13.8861 -2.37343 5.3022 -3.71348 -72.2666 66.7534 6.79672 65.4667 79.0851 TIMING: 2582000 CPU: 7482.29, 0.00288342/step Wall: 7482.29, 0.00288342/step, 1.9367 hours remaining, 209.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2582000 729.8242 2147.6586 1963.6658 115.4439 -206076.0620 17939.0990 0.0000 0.0000 34371.1962 -148809.1744 300.1722 -183180.3706 -148704.8193 301.0120 -5.7125 25.6105 558429.4077 7.0792 6.9015 PRESSURE: 2582200 -268.2 150.97 20.4683 150.969 -148.88 -7.93969 20.4686 -7.93919 -41.2803 GPRESSURE: 2582200 -185.37 183.402 -21.7245 132.043 -165.895 40.2932 70.203 -52.7667 -20.5847 PRESSAVG: 2582200 14.0339 67.9601 -2.4313 67.9601 -11.3907 29.8789 -2.43138 29.8789 -6.30063 GPRESSAVG: 2582200 12.2083 67.59 -0.337267 67.3607 -10.801 27.914 -3.88819 31.1594 -4.87242 TIMING: 2582200 CPU: 7482.87, 0.00288447/step Wall: 7482.87, 0.00288447/step, 1.93724 hours remaining, 209.382812 MB of memory in use. ENERGY: 2582200 771.9534 2125.7272 1948.8560 111.6083 -205859.8074 17647.7885 0.0000 0.0000 34425.6327 -148828.2412 300.6476 -183253.8739 -148734.6524 301.0285 -152.7870 -123.9499 558053.7784 -1.2191 -1.1550 PRESSURE: 2582400 32.6429 124.825 -82.0057 124.824 -168.329 -126.132 -82.0062 -126.13 -154.485 GPRESSURE: 2582400 96.2843 57.136 -63.6957 182.035 -180.6 -223.17 -80.4942 -76.5078 -93.3331 PRESSAVG: 2582400 2.6831 22.1329 5.41758 22.1329 28.4951 24.9854 5.4176 24.9856 -23.1333 GPRESSAVG: 2582400 5.55975 22.7949 3.55494 22.6542 26.8856 26.3778 6.87383 24.4563 -24.2206 TIMING: 2582400 CPU: 7483.46, 0.00292949/step Wall: 7483.46, 0.00292949/step, 1.96732 hours remaining, 209.382812 MB of memory in use. ENERGY: 2582400 746.0601 2086.8560 1961.5536 103.9156 -205696.4118 17649.5026 0.0000 0.0000 34307.6397 -148840.8842 299.6172 -183148.5240 -148744.7632 300.0517 -96.7236 -59.2164 557596.6524 2.6816 2.7416 PRESSURE: 2582600 -146.936 76.0853 10.0451 76.0866 68.8844 47.6467 10.0457 47.6467 -10.2588 GPRESSURE: 2582600 -149.982 134.075 -21.7562 39.9692 95.8267 -17.9673 -65.1134 57.191 48.9475 PRESSAVG: 2582600 -46.9789 -17.8073 6.37424 -17.8074 46.126 -5.28422 6.37426 -5.28422 5.71332 GPRESSAVG: 2582600 -48.6539 -18.1557 6.57943 -18.9477 46.51 -6.23298 5.62234 -6.12311 6.73313 TIMING: 2582600 CPU: 7484.04, 0.0028976/step Wall: 7484.04, 0.0028976/step, 1.94574 hours remaining, 209.382812 MB of memory in use. ENERGY: 2582600 767.5728 2073.9136 1945.9945 109.1736 -205767.3544 17857.3618 0.0000 0.0000 34441.5181 -148571.8200 300.7863 -183013.3382 -148475.6711 300.2199 -29.4369 -1.7361 558775.3238 1.6202 1.5297 PRESSURE: 2582800 28.8574 -72.6202 -159.671 -72.62 5.21899 102.593 -159.67 102.592 60.0065 GPRESSURE: 2582800 75.5515 -131.396 -125.392 -75.6503 21.7253 112.115 -193.696 56.1439 106.151 PRESSAVG: 2582800 -108.671 29.1042 -64.5987 29.1042 43.8163 15.459 -64.5986 15.4589 29.7071 GPRESSAVG: 2582800 -108.039 28.5982 -63.5437 31.1935 44.1532 16.5032 -64.1855 17.9041 28.5277 TIMING: 2582800 CPU: 7484.62, 0.00289477/step Wall: 7484.62, 0.00289477/step, 1.94368 hours remaining, 209.382812 MB of memory in use. ENERGY: 2582800 753.0292 2110.3161 1953.1596 109.3303 -205868.5980 17898.0232 0.0000 0.0000 34365.6890 -148679.0506 300.1241 -183044.7396 -148580.8608 300.6427 31.3610 67.8092 558079.8281 -11.7158 -11.7859 PRESSURE: 2583000 -358.742 56.8493 124.03 56.8494 -191.342 -55.721 124.03 -55.7209 -133.837 GPRESSURE: 2583000 -350.797 108.014 108.857 69.6944 -123.065 -8.55039 184.958 -86.6309 -113.671 PRESSAVG: 2583000 -24.0323 16.6552 -14.9654 16.6553 34.0848 -8.43088 -14.9655 -8.43077 -12.1368 GPRESSAVG: 2583000 -24.8148 17.2536 -14.1639 14.8816 34.7926 -8.96068 -16.9204 -9.04424 -12.1088 TIMING: 2583000 CPU: 7485.19, 0.00288254/step Wall: 7485.19, 0.00288254/step, 1.93531 hours remaining, 209.382812 MB of memory in use. ENERGY: 2583000 757.4588 2115.5216 1935.2243 100.3243 -205386.0916 17288.6733 0.0000 0.0000 34395.8678 -148793.0216 300.3877 -183188.8894 -148689.9900 300.9108 -227.9735 -195.8442 558818.2041 -0.6948 -0.7103 PRESSURE: 2583200 0.587853 28.8954 182.569 28.8955 -125.465 -87.9127 182.569 -87.914 -180.557 GPRESSURE: 2583200 6.77077 31.0425 277.496 70.5495 -135.665 -22.1653 185.006 -98.4455 -97.5761 PRESSAVG: 2583200 -4.65071 17.4153 46.7156 17.4153 36.5289 -23.2076 46.7156 -23.2077 -23.0369 GPRESSAVG: 2583200 -5.24538 17.2138 47.1356 17.9216 36.2473 -21.8618 47.0002 -23.6864 -22.0096 TIMING: 2583200 CPU: 7485.77, 0.00288522/step Wall: 7485.77, 0.00288522/step, 1.93694 hours remaining, 209.382812 MB of memory in use. ENERGY: 2583200 778.7041 2120.2949 1975.1109 106.7253 -205812.2441 17799.5424 0.0000 0.0000 34360.2951 -148671.5713 300.0770 -183031.8664 -148576.0516 300.3494 -101.8112 -75.4899 558968.6656 2.9471 2.9974 PRESSURE: 2583400 158.246 18.3968 -137.004 18.3964 113.463 -41.6392 -137.004 -41.6393 -56.1989 GPRESSURE: 2583400 221.92 145.748 -70.2132 -19.2001 127.1 -86.6401 -177.714 -75.9297 -44.7175 PRESSAVG: 2583400 45.7335 -17.3502 33.9123 -17.3501 -33.0825 -52.2265 33.9124 -52.2265 -41.1729 GPRESSAVG: 2583400 45.9741 -16.4239 33.226 -18.095 -31.7564 -55.8968 34.9494 -51.1333 -42.4728 TIMING: 2583400 CPU: 7486.35, 0.00289459/step Wall: 7486.35, 0.00289459/step, 1.94307 hours remaining, 209.382812 MB of memory in use. ENERGY: 2583400 752.8097 2093.0238 1938.8454 124.9224 -205822.7691 17677.9712 0.0000 0.0000 34395.2348 -148839.9619 300.3821 -183235.1967 -148739.0271 300.2597 71.8368 101.4339 556896.6766 -9.5073 -9.4184 PRESSURE: 2583600 -473.552 3.55308 85.2236 3.55354 -45.0612 -79.8779 85.2241 -79.878 -330.731 GPRESSURE: 2583600 -429.767 -46.8889 80.1298 20.7975 -17.6252 -68.8422 86.5759 -82.5354 -317.53 PRESSAVG: 2583600 55.3216 -10.9369 30.9988 -10.9368 -6.15779 -33.6045 30.9988 -33.6044 -31.8538 GPRESSAVG: 2583600 55.9107 -11.5835 31.7903 -11.024 -6.96459 -32.9059 29.8396 -34.608 -31.3115 TIMING: 2583600 CPU: 7486.93, 0.0028994/step Wall: 7486.93, 0.0028994/step, 1.94614 hours remaining, 209.382812 MB of memory in use. ENERGY: 2583600 759.0403 2097.4743 1927.5361 117.6263 -205197.1598 17233.5644 0.0000 0.0000 33978.9671 -149082.9512 296.7468 -183061.9183 -148987.6759 299.5360 -283.1146 -254.9743 559620.1555 5.7700 5.8782 PRESSURE: 2583800 -190.57 31.8134 -27.323 31.8134 -222.498 38.9852 -27.3209 38.9862 -175.919 GPRESSURE: 2583800 -193.02 130.055 -10.2664 0.829194 -223.015 -32.5327 -33.4778 23.2308 -79.8911 PRESSAVG: 2583800 -45.5642 -37.6421 35.674 -37.642 34.1313 -60.6665 35.6739 -60.6664 3.3487 GPRESSAVG: 2583800 -44.9455 -36.584 36.6718 -36.9347 34.3887 -60.076 35.2792 -59.2714 2.7734 TIMING: 2583800 CPU: 7487.5, 0.00288647/step Wall: 7487.5, 0.00288647/step, 1.9373 hours remaining, 209.382812 MB of memory in use. ENERGY: 2583800 766.5376 2081.5920 1948.0450 114.6760 -205867.6718 17648.2054 0.0000 0.0000 34168.7452 -149139.8706 298.4042 -183308.6158 -149038.3648 298.4272 -196.3290 -165.3089 559562.4242 -2.6947 -2.5945 PRESSURE: 2584000 -75.7993 89.0314 7.46089 89.0323 118.269 81.7725 7.46167 81.7733 -94.7292 GPRESSURE: 2584000 -54.4987 23.9135 -76.6873 129.791 174.735 -26.5572 -3.81381 79.0678 -76.7965 PRESSAVG: 2584000 -34.6461 21.1292 -1.57961 21.1292 12.1458 5.06487 -1.57958 5.06484 26.5615 GPRESSAVG: 2584000 -34.5711 18.3364 -2.22468 21.0299 12.1455 5.49738 -2.22614 4.57279 27.0836 TIMING: 2584000 CPU: 7488.08, 0.00289215/step Wall: 7488.08, 0.00289215/step, 1.94096 hours remaining, 209.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2584000 735.8134 2141.2709 1927.5461 109.2027 -206356.8307 17888.9650 0.0000 0.0000 34376.4041 -149177.6286 300.2177 -183554.0327 -149080.1283 299.2731 -17.4198 14.4799 557011.0699 1.3537 1.5526 PRESSURE: 2584200 220.532 -122.338 73.066 -122.338 63.2943 -99.6087 73.0669 -99.6108 337.975 GPRESSURE: 2584200 249.508 -159.893 19.5295 -78.38 83.821 -150.445 45.9759 16.2999 379.959 PRESSAVG: 2584200 -0.80403 72.3991 -5.60941 72.3992 39.8599 37.6581 -5.60941 37.6582 -38.0517 GPRESSAVG: 2584200 -1.94831 73.6395 -7.64103 72.5824 41.6461 35.7671 -3.21099 40.4177 -38.6179 TIMING: 2584200 CPU: 7488.66, 0.00290536/step Wall: 7488.66, 0.00290536/step, 1.94966 hours remaining, 209.382812 MB of memory in use. ENERGY: 2584200 693.5833 2096.2839 1967.0236 114.4721 -206450.9755 17939.7824 0.0000 0.0000 34297.9417 -149341.8885 299.5325 -183639.8302 -149247.9684 298.6710 207.2671 237.7625 555931.1393 0.3347 0.3599 LDB: ============= START OF LOAD BALANCING ============== 7492.05 LDB: ============== END OF LOAD BALANCING =============== 7492.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7492.05 LDB: ============= START OF LOAD BALANCING ============== 7492.34 LDB: Largest compute 4800 load 0.023936 is 20.3% of average load 0.117962 LDB: Average compute 0.001748 is 1.5% of average load 0.117962 LDB: TIME 7492.34 LOAD: AVG 0.117962 MAX 0.179288 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 7492.34 LOAD: AVG 0.117962 MAX 0.179288 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: TIME 7492.34 LOAD: AVG 0.117962 MAX 0.179288 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7492.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7492.35 PRESSURE: 2584400 -22.56 74.7464 -9.63353 74.746 121.352 -10.0537 -9.63276 -10.0529 -215.062 GPRESSURE: 2584400 35.7294 56.1033 21.1758 71.4398 119.946 49.7915 -111.511 17.018 -162.183 PRESSAVG: 2584400 43.476 -56.4429 -18.2138 -56.443 -10.0696 71.3109 -18.2137 71.311 5.95023 GPRESSAVG: 2584400 45.133 -54.401 -17.6842 -59.0044 -12.1688 70.571 -18.7891 68.6203 6.02904 TIMING: 2584400 CPU: 7489.25, 0.00294971/step Wall: 7489.25, 0.00294971/step, 1.97925 hours remaining, 208.468750 MB of memory in use. ENERGY: 2584400 721.8895 2039.9351 1949.2877 119.6314 -206337.6133 17813.2885 0.0000 0.0000 34413.9875 -149279.5935 300.5459 -183693.5810 -149182.0634 299.4687 -38.7566 -2.1690 556945.7501 13.1189 12.9978 PRESSURE: 2584600 -116.589 -15.9216 44.4264 -15.9231 -231.185 134.09 44.4278 134.091 -70.7105 GPRESSURE: 2584600 -70.0324 -73.5908 40.3288 -64.697 -164.951 100.497 99.3218 121.949 -82.5437 PRESSAVG: 2584600 -12.9642 16.4717 1.60012 16.4716 22.866 66.0297 1.60021 66.0297 -30.3887 GPRESSAVG: 2584600 -14.0997 13.8281 -0.544918 18.7104 24.31 69.7347 2.75549 62.8736 -30.4489 TIMING: 2584600 CPU: 7489.83, 0.00288546/step Wall: 7489.83, 0.00288546/step, 1.93599 hours remaining, 208.539062 MB of memory in use. ENERGY: 2584600 741.9557 2054.4803 1951.6975 109.0933 -205888.4802 17713.7300 0.0000 0.0000 34124.8932 -149192.6302 298.0212 -183317.5234 -149099.9566 299.5045 -139.4948 -105.8423 558675.3389 -6.8290 -6.7462 PRESSURE: 2584800 -69.3315 113.493 -194.941 113.494 -159.341 12.2703 -194.94 12.271 -197.191 GPRESSURE: 2584800 -67.3912 115.751 -222.119 52.9683 -65.6577 99.0094 -197.644 -0.328393 -191.936 PRESSAVG: 2584800 68.4189 54.5193 -15.1959 54.5194 -49.4407 15.2633 -15.196 15.2633 -21.7085 GPRESSAVG: 2584800 68.0502 55.0687 -12.2486 54.257 -50.2147 13.2382 -17.8321 17.4308 -20.9043 TIMING: 2584800 CPU: 7490.41, 0.00289656/step Wall: 7490.41, 0.00289656/step, 1.94327 hours remaining, 208.539062 MB of memory in use. ENERGY: 2584800 781.0030 2107.8431 1944.7442 99.1329 -206401.4971 17868.4571 0.0000 0.0000 34463.2017 -149137.1150 300.9757 -183600.3167 -149044.6414 299.2361 -141.9545 -108.3284 558478.6722 -0.9101 -1.0229 PRESSURE: 2585000 -185.918 194.441 49.8026 194.442 -161.142 106.534 49.8024 106.533 -117.481 GPRESSURE: 2585000 -158.144 219.983 31.6378 222.27 -161.279 146.68 60.7252 79.7982 -42.7112 PRESSAVG: 2585000 41.1357 72.0029 0.702333 72.0029 0.695804 28.4796 0.702315 28.4796 -106.788 GPRESSAVG: 2585000 41.033 69.2025 0.557816 72.7084 1.04621 29.1171 1.20571 29.102 -106.525 TIMING: 2585000 CPU: 7490.99, 0.00287267/step Wall: 7490.99, 0.00287267/step, 1.92709 hours remaining, 208.539062 MB of memory in use. ENERGY: 2585000 809.7239 2055.4611 1970.4209 106.9466 -206229.8559 17858.5713 0.0000 0.0000 34239.8739 -149188.8582 299.0253 -183428.7321 -149091.1658 299.2345 -154.8469 -120.7114 559234.5534 -21.6522 -21.4819 PRESSURE: 2585200 129.079 -36.3196 40.5617 -36.3207 -51.0542 -32.0768 40.562 -32.0758 59.3029 GPRESSURE: 2585200 168.656 10.2603 88.8339 -43.4968 2.31321 -53.0909 54.3892 35.2092 68.0147 PRESSAVG: 2585200 -47.6964 15.694 -6.8896 15.6939 21.6766 -3.65831 -6.88957 -3.65842 -6.38163 GPRESSAVG: 2585200 -47.2288 17.8129 -4.70873 13.496 21.7903 -5.13975 -7.94575 -2.67758 -7.01991 TIMING: 2585200 CPU: 7491.56, 0.00289194/step Wall: 7491.56, 0.00289194/step, 1.93985 hours remaining, 208.539062 MB of memory in use. ENERGY: 2585200 773.9429 2097.3418 1932.7805 109.7958 -206080.9102 17963.5817 0.0000 0.0000 34236.6923 -148966.7752 298.9975 -183203.4674 -148873.2174 299.8235 45.7758 79.6613 558329.1295 -10.8005 -10.8195 PRESSURE: 2585400 -81.7413 113.745 -35.8086 113.746 -79.8887 131.665 -35.8089 131.665 14.6359 GPRESSURE: 2585400 -48.9679 72.4288 1.76198 176.262 -41.204 52.6819 -77.535 146.209 50.2562 PRESSAVG: 2585400 -53.7 24.5757 5.32371 24.5756 40.7624 64.0012 5.32365 64.0012 14.5983 GPRESSAVG: 2585400 -54.3368 24.2864 2.16339 25.7965 41.5812 64.8763 6.93058 63.0321 14.9022 TIMING: 2585400 CPU: 7492.15, 0.00291178/step Wall: 7492.15, 0.00291178/step, 1.95299 hours remaining, 208.539062 MB of memory in use. ENERGY: 2585400 768.5081 2098.9972 1918.7670 123.0542 -206071.7264 17732.3591 0.0000 0.0000 34421.9405 -149008.1003 300.6154 -183430.0408 -148911.0619 299.4514 -48.9981 -13.3052 557687.1400 0.5535 0.7155 PRESSURE: 2585600 -503.629 156.463 177.199 156.461 50.1275 120.203 177.199 120.204 -12.4047 GPRESSURE: 2585600 -476.954 179.042 160.467 107.134 101.643 142.613 145.462 103.532 9.41895 PRESSAVG: 2585600 -21.9203 -19.0514 26.0348 -19.0513 28.4181 15.3882 26.0348 15.3882 -8.42667 GPRESSAVG: 2585600 -21.0405 -18.0468 27.1143 -18.0085 28.2491 15.3661 25.5098 17.4357 -8.88079 TIMING: 2585600 CPU: 7492.73, 0.00289893/step Wall: 7492.73, 0.00289893/step, 1.94421 hours remaining, 208.539062 MB of memory in use. ENERGY: 2585600 771.9467 2114.6982 1952.1460 123.5004 -206180.5527 17898.6669 0.0000 0.0000 34607.6061 -148711.9884 302.2368 -183319.5945 -148610.8769 300.9707 -155.3021 -121.9639 558795.6607 -0.6429 -0.5574 PRESSURE: 2585800 268.046 34.4352 -71.22 34.436 159.114 -128.594 -71.2197 -128.594 -96.3686 GPRESSURE: 2585800 329.308 73.6389 -96.3567 46.414 157.899 -170.724 28.8185 -154.627 -56.3257 PRESSAVG: 2585800 9.64558 -45.8951 -6.8027 -45.8951 40.5346 29.724 -6.80263 29.7238 -40.5552 GPRESSAVG: 2585800 9.25979 -48.166 -9.27838 -45.257 41.0486 29.3661 -5.23948 28.032 -40.7864 TIMING: 2585800 CPU: 7493.3, 0.00289539/step Wall: 7493.3, 0.00289539/step, 1.94168 hours remaining, 208.539062 MB of memory in use. ENERGY: 2585800 773.2226 2082.4676 1945.3951 115.1731 -205922.0314 18164.1789 0.0000 0.0000 34047.1931 -148794.4011 297.3426 -182841.5942 -148705.8249 300.0499 110.2638 143.6273 558936.9813 3.2083 3.1740 PRESSURE: 2586000 46.1262 30.8249 150.32 30.8256 -163.765 -64.7281 150.319 -64.7297 -300.314 GPRESSURE: 2586000 94.5529 53.5273 150.654 82.5574 -163.041 3.85606 199.85 -122.688 -245.859 PRESSAVG: 2586000 3.17959 -33.801 34.0584 -33.801 -36.1 -15.0139 34.0584 -15.0139 2.29967 GPRESSAVG: 2586000 3.5899 -31.9435 34.0796 -35.6502 -35.6243 -13.1579 34.0806 -16.4332 1.40056 TIMING: 2586000 CPU: 7493.88, 0.00289347/step Wall: 7493.88, 0.00289347/step, 1.94023 hours remaining, 208.539062 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: 2586000 757.7487 2110.3677 1922.6466 110.8878 -206050.1536 17612.7541 0.0000 0.0000 34668.5677 -148867.1811 302.7692 -183535.7487 -148777.8804 300.7737 -139.3175 -104.7824 558290.7347 -10.2069 -10.2113 PRESSURE: 2586200 -92.9972 175.059 51.786 175.058 -194.884 22.7026 51.7855 22.7015 -108.937 GPRESSURE: 2586200 -120.138 160.151 133.107 155.857 -148.181 66.0364 -60.2336 -17.2119 -33.3007 PRESSAVG: 2586200 28.7361 -12.077 40.6392 -12.0771 -16.396 -8.49518 40.6392 -8.49519 -3.29063 GPRESSAVG: 2586200 28.4179 -13.3867 44.785 -12.7986 -17.8268 -7.80575 38.4789 -8.03055 -1.7211 TIMING: 2586200 CPU: 7494.46, 0.00287875/step Wall: 7494.46, 0.00287875/step, 1.9302 hours remaining, 208.539062 MB of memory in use. ENERGY: 2586200 768.2730 2113.1749 1933.3754 106.4468 -205727.4306 17539.4921 0.0000 0.0000 34464.5845 -148802.0838 300.9878 -183266.6683 -148702.2599 300.4221 -132.2726 -100.5400 557523.1587 3.0165 2.9567 PRESSURE: 2586400 76.7726 -17.8435 -71.5311 -17.8443 -62.8594 114.654 -71.5299 114.656 81.0939 GPRESSURE: 2586400 67.4825 -74.3864 -11.6952 47.316 -5.55682 145.562 -66.1127 48.1183 124.387 PRESSAVG: 2586400 0.592883 6.24901 32.2712 6.24896 3.87452 23.288 32.2711 23.2878 -22.562 GPRESSAVG: 2586400 -0.274321 4.64282 32.0893 8.06217 5.57645 20.876 31.8633 25.413 -23.4333 TIMING: 2586400 CPU: 7495.04, 0.00288226/step Wall: 7495.04, 0.00288226/step, 1.93239 hours remaining, 208.539062 MB of memory in use. ENERGY: 2586400 746.7903 2176.3737 1926.8126 119.1812 -206087.5474 17956.1555 0.0000 0.0000 34442.6086 -148719.6254 300.7959 -183162.2341 -148613.3676 300.2830 31.6690 62.1043 557880.0271 -6.0315 -6.0437 PRESSURE: 2586600 35.1912 -166.903 -50.4436 -166.904 29.1749 -13.9011 -50.4428 -13.9015 -153.275 GPRESSURE: 2586600 86.1446 -173.648 -103.889 -218.833 57.9543 45.8918 -27.8898 -36.2201 -134.799 PRESSAVG: 2586600 45.8109 -39.4697 -61.4995 -39.4697 6.43761 8.88299 -61.4996 8.88299 -30.2483 GPRESSAVG: 2586600 47.1963 -39.7838 -64.4573 -40.2805 5.40148 11.4033 -60.3608 7.15121 -30.3189 TIMING: 2586600 CPU: 7495.61, 0.00286779/step Wall: 7495.61, 0.00286779/step, 1.92253 hours remaining, 208.539062 MB of memory in use. ENERGY: 2586600 760.3783 2151.6352 1934.3303 109.0044 -205868.1025 17753.5916 0.0000 0.0000 34325.4210 -148833.7416 299.7724 -183159.1625 -148740.3166 300.3529 -29.6362 3.1000 558658.7869 7.3334 7.4263 PRESSURE: 2586800 -248.351 -62.3109 72.0401 -62.3119 -201.368 -23.2653 72.0393 -23.2655 -147.993 GPRESSURE: 2586800 -163.269 -65.935 -7.01823 -118.817 -152.083 -35.7136 78.1424 -21.9258 -190.017 PRESSAVG: 2586800 53.0055 -6.45126 -41.7628 -6.45122 24.8346 0.871978 -41.7627 0.872015 10.1851 GPRESSAVG: 2586800 53.9354 -4.8675 -37.61 -6.23145 24.1301 -1.42388 -43.9394 2.45699 9.54289 TIMING: 2586800 CPU: 7496.19, 0.00289631/step Wall: 7496.19, 0.00289631/step, 1.94149 hours remaining, 208.539062 MB of memory in use. ENERGY: 2586800 778.3515 2145.0932 1973.9393 107.7795 -205520.1831 17460.4089 0.0000 0.0000 34181.7506 -148872.8603 298.5177 -183054.6109 -148776.5997 300.7343 -199.2371 -168.4564 558085.7682 29.3418 29.2028 PRESSURE: 2587000 -304.231 16.7547 31.5644 16.7534 -364.216 -200.488 31.5649 -200.487 -90.5075 GPRESSURE: 2587000 -255.966 125.384 56.3724 4.43507 -333.735 -185.947 111.852 -249.452 -73.0327 PRESSAVG: 2587000 -60.5122 -70.8219 25.4295 -70.8219 60.6301 -32.4354 25.4295 -32.4354 61.3249 GPRESSAVG: 2587000 -61.8648 -70.5441 23.6444 -72.955 61.4316 -30.0978 27.6874 -33.0793 61.865 TIMING: 2587000 CPU: 7496.77, 0.00289005/step Wall: 7496.77, 0.00289005/step, 1.93714 hours remaining, 208.539062 MB of memory in use. ENERGY: 2587000 763.0725 2119.8693 1943.1857 117.4881 -205863.8761 17562.3761 0.0000 0.0000 34311.9090 -149045.9753 299.6544 -183357.8843 -148941.8545 300.4827 -252.9850 -220.9115 559046.4923 20.4809 20.4772 PRESSURE: 2587200 18.5487 -213.446 -44.9024 -213.448 -133.164 -2.53715 -44.9012 -2.53587 -123.167 GPRESSURE: 2587200 69.0482 -97.9591 -66.0068 -315.114 -120.185 0.893915 -50.6376 -0.773321 -84.8911 PRESSAVG: 2587200 12.7905 -30.4328 18.174 -30.4329 -20.9015 -60.7997 18.174 -60.7998 -50.4363 GPRESSAVG: 2587200 14.2069 -28.8769 16.0628 -30.192 -20.7058 -63.0765 18.8877 -59.9531 -51.8038 TIMING: 2587200 CPU: 7497.35, 0.00289416/step Wall: 7497.35, 0.00289416/step, 1.93973 hours remaining, 208.539062 MB of memory in use. ENERGY: 2587200 728.1301 2095.6234 1960.9098 118.1744 -206034.5827 17718.4145 0.0000 0.0000 34362.4016 -149050.9290 300.0954 -183413.3306 -148954.4742 299.3397 -79.2606 -45.3425 558531.5670 -19.5158 -19.4343 PRESSURE: 2587400 -287.041 23.9744 -144.337 23.9744 -314.183 3.47699 -144.335 3.47812 -178.39 GPRESSURE: 2587400 -250.824 86.2144 -142.12 10.7743 -255.225 -41.9152 13.9974 -2.39337 -183.248 PRESSAVG: 2587400 34.4446 -57.611 18.5811 -57.611 -16.0231 -1.78321 18.5811 -1.78317 16.8397 GPRESSAVG: 2587400 33.8428 -57.5462 17.6475 -55.8094 -15.6735 -3.18945 19.1382 -2.59394 16.873 TIMING: 2587400 CPU: 7497.92, 0.00287677/step Wall: 7497.92, 0.00287677/step, 1.92791 hours remaining, 208.539062 MB of memory in use. ENERGY: 2587400 729.1124 2134.5524 1961.5301 116.3358 -205646.7542 17442.6217 0.0000 0.0000 34178.2466 -149084.3552 298.4871 -183262.6018 -148983.5023 299.7187 -259.8717 -229.7656 560304.3167 11.7537 11.6808 PRESSURE: 2587600 -6.55997 122.906 100.563 122.907 26.7265 -55.8271 100.563 -55.8259 13.0522 GPRESSURE: 2587600 -41.7915 127.107 90.3294 49.8816 45.1211 -103.223 99.3677 -69.6583 134.546 PRESSAVG: 2587600 8.64283 -3.83778 36.1268 -3.8379 -25.7484 -31.1055 36.1269 -31.1054 20.223 GPRESSAVG: 2587600 8.20277 -3.6128 36.271 -5.8431 -26.4972 -28.4911 35.8186 -32.8644 21.6512 TIMING: 2587600 CPU: 7498.5, 0.0028975/step Wall: 7498.5, 0.0028975/step, 1.94165 hours remaining, 208.539062 MB of memory in use. ENERGY: 2587600 739.5973 2130.8828 1938.8447 117.5629 -206181.2159 17884.6603 0.0000 0.0000 34108.7741 -149260.8938 297.8804 -183369.6680 -149160.9256 299.2878 11.0729 45.9584 558598.6416 1.0392 1.1189 PRESSURE: 2587800 -106.359 -110.243 -148.284 -110.242 -113.027 -24.5999 -148.284 -24.6015 194.177 GPRESSURE: 2587800 -67.7818 -96.6197 -241.328 -14.5166 -16.9559 -93.8817 -132.995 -28.9622 150.063 PRESSAVG: 2587800 -13.7513 31.5874 -29.6566 31.5874 28.5076 -33.0974 -29.6567 -33.0974 13.653 GPRESSAVG: 2587800 -12.4318 30.1442 -26.9693 33.4489 28.9282 -35.199 -29.1879 -30.8086 12.6738 TIMING: 2587800 CPU: 7499.07, 0.00287239/step Wall: 7499.07, 0.00287239/step, 1.92466 hours remaining, 208.539062 MB of memory in use. ENERGY: 2587800 756.6160 2144.6993 1963.2755 125.6473 -206189.1766 17811.3762 0.0000 0.0000 34237.5097 -149150.0526 299.0047 -183387.5623 -149046.5573 300.0068 -8.4032 21.7751 557861.1508 9.4698 9.7234 PRESSURE: 2588000 -123.258 -80.7573 177.238 -80.7564 -68.3407 -136.409 177.238 -136.411 -120.544 GPRESSURE: 2588000 -48.0364 -39.2562 120.693 -160.374 -67.6681 -133.335 120.448 -157.914 -85.9947 PRESSAVG: 2588000 -31.8227 11.9708 -26.0187 11.9708 -4.97668 21.1476 -26.0187 21.1477 -12.893 GPRESSAVG: 2588000 -31.8997 10.5512 -29.012 13.0003 -5.33678 19.9632 -23.9265 20.3167 -12.4464 TIMING: 2588000 CPU: 7499.65, 0.00288881/step Wall: 7499.65, 0.00288881/step, 1.9355 hours remaining, 208.539062 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: 2588000 748.2547 2128.1225 1976.8729 110.4011 -206053.2576 17559.2619 0.0000 0.0000 34357.4106 -149172.9339 300.0518 -183530.3446 -149080.7000 299.6324 -104.0478 -67.2331 555883.2693 -16.5641 -16.5610 PRESSURE: 2588200 103.814 -123.551 23.7928 -123.551 -2.33012 231.755 23.7924 231.755 -24.7152 GPRESSURE: 2588200 186.779 -46.2444 35.545 -172.904 6.87137 277.717 39.1442 205.949 -19.2288 PRESSAVG: 2588200 34.9445 6.3221 -43.1481 6.32215 2.93931 31.44 -43.1481 31.4401 -6.57303 GPRESSAVG: 2588200 35.2805 8.44538 -40.7965 5.16674 2.44636 32.4347 -47.0368 34.2212 -6.06073 TIMING: 2588200 CPU: 7500.23, 0.00288794/step Wall: 7500.23, 0.00288794/step, 1.93476 hours remaining, 208.539062 MB of memory in use. ENERGY: 2588200 750.8522 2111.3159 1936.9520 110.8954 -206305.3677 17896.1569 0.0000 0.0000 34253.2640 -149245.9313 299.1423 -183499.1953 -149150.2399 299.4856 25.5894 58.1406 556242.2997 10.4369 10.5554 LDB: ============= START OF LOAD BALANCING ============== 7503.62 LDB: ============== END OF LOAD BALANCING =============== 7503.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7503.62 LDB: ============= START OF LOAD BALANCING ============== 7503.91 LDB: Largest compute 4800 load 0.025695 is 21.8% of average load 0.117955 LDB: Average compute 0.001745 is 1.5% of average load 0.117955 LDB: TIME 7503.91 LOAD: AVG 0.117955 MAX 0.181089 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.129 MB LDB: TIME 7503.91 LOAD: AVG 0.117955 MAX 0.181089 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.129 MB LDB: TIME 7503.91 LOAD: AVG 0.117955 MAX 0.181089 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.129 MB LDB: ============== END OF LOAD BALANCING =============== 7503.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7503.92 PRESSURE: 2588400 -143.229 -23.2468 -245.623 -23.2465 -105.813 -52.6584 -245.625 -52.6575 -157.697 GPRESSURE: 2588400 -167.687 30.4222 -281.271 -79.3764 -58.3663 -19.5554 -225.443 -46.1396 -69.4479 PRESSAVG: 2588400 -16.4053 46.6869 -8.36601 46.6868 -4.24557 8.36114 -8.36596 8.36107 12.8477 GPRESSAVG: 2588400 -16.8646 45.9757 -9.85772 46.8131 -3.77019 9.90372 -7.58898 6.39559 11.9446 TIMING: 2588400 CPU: 7500.82, 0.00294779/step Wall: 7500.82, 0.00294779/step, 1.97469 hours remaining, 209.492188 MB of memory in use. ENERGY: 2588400 756.4555 2052.0869 1953.2024 115.8394 -205951.7425 17636.2745 0.0000 0.0000 33990.4270 -149447.4568 296.8469 -183437.8838 -149351.5868 298.9569 -135.5795 -98.5002 556339.8944 -2.6010 -2.8967 PRESSURE: 2588600 91.4416 -139.934 -106.149 -139.936 214.677 -62.9971 -106.149 -62.9949 -10.6814 GPRESSURE: 2588600 98.8268 -123.234 -196.734 -146.636 232.463 -109.021 -115.209 -85.7037 54.1244 PRESSAVG: 2588600 63.6166 2.94109 -35.1503 2.94104 -107.356 -26.8121 -35.1502 -26.8122 40.5886 GPRESSAVG: 2588600 62.5732 2.41262 -34.0718 0.299095 -107.35 -27.6054 -35.2064 -27.5251 41.6667 TIMING: 2588600 CPU: 7501.4, 0.00289203/step Wall: 7501.4, 0.00289203/step, 1.93718 hours remaining, 209.562500 MB of memory in use. ENERGY: 2588600 750.3317 2107.0151 1977.8059 108.6236 -206726.4152 18042.5047 0.0000 0.0000 34221.1845 -149518.9495 298.8621 -183740.1340 -149420.8731 298.5883 98.4791 128.4715 555761.7772 -1.0503 -1.0367 PRESSURE: 2588800 -79.0363 86.3093 -189.982 86.31 -111.777 -125.379 -189.983 -125.379 -301.782 GPRESSURE: 2588800 -13.1319 158.037 -95.3216 -64.2009 -70.5052 -177.741 -239.828 -70.3469 -319.411 PRESSAVG: 2588800 26.2348 -18.5004 -14.5359 -18.5003 -61.5428 -13.5853 -14.5359 -13.5853 40.3408 GPRESSAVG: 2588800 26.1449 -18.003 -15.2707 -17.6955 -61.6472 -12.8436 -12.2887 -14.3803 39.85 TIMING: 2588800 CPU: 7501.98, 0.00289917/step Wall: 7501.98, 0.00289917/step, 1.9418 hours remaining, 209.562500 MB of memory in use. ENERGY: 2588800 709.5640 2096.3546 1910.6935 101.3742 -206193.6336 17536.9421 0.0000 0.0000 34237.9515 -149600.7537 299.0085 -183838.7052 -149504.3028 298.5639 -164.1984 -134.3493 558015.3156 1.6776 1.4492 PRESSURE: 2589000 -271.508 -72.3658 -69.4767 -72.3672 -71.5597 59.2608 -69.4768 59.2596 87.3417 GPRESSURE: 2589000 -174.421 -100.878 68.8771 5.0702 -101.989 225.216 -20.0394 55.1118 111.267 PRESSAVG: 2589000 30.3785 6.04471 -87.6355 6.04464 -48.4193 9.71939 -87.6355 9.71947 49.4195 GPRESSAVG: 2589000 31.2773 5.38063 -88.2637 8.46766 -49.2009 10.886 -89.7149 10.2923 49.8403 TIMING: 2589000 CPU: 7502.56, 0.00288593/step Wall: 7502.56, 0.00288593/step, 1.93277 hours remaining, 209.562500 MB of memory in use. ENERGY: 2589000 765.3370 2146.3203 1970.6323 115.5532 -206611.0484 17930.1102 0.0000 0.0000 34109.6173 -149573.4781 297.8878 -183683.0955 -149472.1754 299.1312 -85.2418 -55.0475 557950.2075 10.4595 10.6389 PRESSURE: 2589200 148.184 -66.0404 61.898 -66.04 73.3482 122.453 61.8992 122.453 66.9347 GPRESSURE: 2589200 198.682 -29.8403 32.8213 -61.0482 70.0284 131.884 112.578 165.086 113.04 PRESSAVG: 2589200 36.942 44.7102 -16.435 44.7101 -67.4229 43.4431 -16.435 43.443 53.6029 GPRESSAVG: 2589200 36.182 45.0143 -15.7364 44.0113 -66.4355 41.1259 -16.1854 44.1124 53.3513 TIMING: 2589200 CPU: 7503.13, 0.00289124/step Wall: 7503.13, 0.00289124/step, 1.93616 hours remaining, 209.562500 MB of memory in use. ENERGY: 2589200 700.7532 2123.6513 1933.6116 87.6979 -206315.7861 17993.7312 0.0000 0.0000 33834.2602 -149642.0807 295.4830 -183476.3409 -149552.7459 298.5213 96.1555 127.2500 557239.7652 7.7073 7.6993 PRESSURE: 2589400 -49.1212 244.862 55.1928 244.862 -232.35 85.7892 55.1911 85.7919 -35.0724 GPRESSURE: 2589400 0.699922 203.055 9.78278 318.099 -238.485 -7.92052 116.326 98.3796 5.25262 PRESSAVG: 2589400 64.1148 -21.7034 -48.1388 -21.7034 -51.8601 22.0129 -48.1387 22.013 -50.9425 GPRESSAVG: 2589400 64.9007 -22.4164 -49.7865 -22.4199 -53.2782 22.3784 -48.0638 20.4354 -50.415 TIMING: 2589400 CPU: 7503.71, 0.00288256/step Wall: 7503.71, 0.00288256/step, 1.93019 hours remaining, 209.562500 MB of memory in use. ENERGY: 2589400 739.9925 2097.0950 1934.7364 117.0009 -206317.4999 17556.3549 0.0000 0.0000 34200.9833 -149671.3369 298.6857 -183872.3202 -149570.6241 297.7738 -105.5144 -77.5108 556988.1044 -12.8960 -12.9308 PRESSURE: 2589600 -78.5983 -24.147 -137.008 -24.1459 -291.997 11.0749 -137.006 11.0761 136.555 GPRESSURE: 2589600 -76.9942 -58.8594 -82.0538 -74.6455 -214.993 -55.6573 -147.676 33.225 153.427 PRESSAVG: 2589600 59.5062 -11.0297 -29.7233 -11.0297 -71.3537 18.1682 -29.7233 18.1683 44.4999 GPRESSAVG: 2589600 58.8867 -9.72459 -29.7041 -11.8414 -70.4321 18.5736 -31.2445 17.0646 44.0178 TIMING: 2589600 CPU: 7504.29, 0.00290232/step Wall: 7504.29, 0.00290232/step, 1.94327 hours remaining, 209.562500 MB of memory in use. ENERGY: 2589600 740.7864 2077.5100 1954.1162 111.9005 -206030.9492 17592.9530 0.0000 0.0000 34067.9302 -149485.7529 297.5237 -183553.6831 -149396.2273 298.2467 -78.0132 -46.1868 557755.1034 10.8842 10.8242 PRESSURE: 2589800 -251.872 -81.6216 -54.5145 -81.6213 129.736 36.2408 -54.5147 36.2417 -69.7781 GPRESSURE: 2589800 -169.188 -74.4605 -17.3769 -62.2646 147.042 -42.8914 -149.544 92.7308 -84.5586 PRESSAVG: 2589800 2.72027 8.40661 5.77641 8.40655 -80.91 -10.7656 5.77649 -10.7656 22.8408 GPRESSAVG: 2589800 1.94921 7.49833 5.8597 9.36712 -80.5736 -11.6583 7.66127 -10.8808 22.7251 TIMING: 2589800 CPU: 7504.87, 0.00290325/step Wall: 7504.87, 0.00290325/step, 1.94372 hours remaining, 209.562500 MB of memory in use. ENERGY: 2589800 758.1612 2129.7239 1952.0036 118.9236 -206598.6841 18039.5018 0.0000 0.0000 33979.8332 -149620.5368 296.7543 -183600.3700 -149523.1343 297.5715 -63.9715 -35.5682 557623.5192 -18.4496 -18.6331 PRESSURE: 2590000 234.701 -63.7638 91.2321 -63.763 -18.5316 230.293 91.2315 230.293 220.531 GPRESSURE: 2590000 279.145 60.1055 50.5563 -16.8592 36.8978 308.586 87.906 200.227 227.861 PRESSAVG: 2590000 40.5871 14.4427 13.7866 14.4426 10.3241 -16.8107 13.7867 -16.8106 -26.2529 GPRESSAVG: 2590000 39.9146 16.6368 14.7536 13.1291 11.0365 -15.7113 12.0176 -16.5182 -26.6516 TIMING: 2590000 CPU: 7505.45, 0.00290013/step Wall: 7505.45, 0.00290013/step, 1.94148 hours remaining, 209.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2590000 723.7642 2111.7479 1952.9331 105.0820 -206541.5623 17896.1782 0.0000 0.0000 34021.8172 -149730.0398 297.1210 -183751.8570 -149642.5274 297.9730 145.5668 181.3012 554254.6326 8.2194 8.0998 PRESSURE: 2590200 333.688 -15.2308 -6.77963 -15.2302 95.758 52.0942 -6.77825 52.0949 -51.8204 GPRESSURE: 2590200 361.701 -31.2266 -58.4373 5.37699 132.261 21.6229 133.312 75.4346 -6.42473 PRESSAVG: 2590200 13.0894 -25.9317 35.9455 -25.9317 10.244 43.4342 35.9455 43.4342 8.24485 GPRESSAVG: 2590200 13.1642 -27.6508 33.3828 -24.7357 9.13775 44.2264 39.0736 42.2842 9.22088 TIMING: 2590200 CPU: 7506.03, 0.00288742/step Wall: 7506.03, 0.00288742/step, 1.93281 hours remaining, 209.562500 MB of memory in use. ENERGY: 2590200 709.9461 2081.0459 1953.2218 113.3779 -206184.4920 17753.5598 0.0000 0.0000 34252.0067 -149321.3336 299.1313 -183573.3403 -149222.1081 298.2146 125.8752 162.5125 555746.8808 10.5261 10.5076 PRESSURE: 2590400 98.637 -102.441 -52.5164 -102.441 56.4145 32.7725 -52.5171 32.7729 91.6089 GPRESSURE: 2590400 147.779 -78.5914 -1.5645 -80.3803 112.115 -69.8895 -55.019 55.8798 80.098 PRESSAVG: 2590400 22.7296 31.0016 -34.262 31.0017 -19.493 -4.89614 -34.262 -4.89605 10.0554 GPRESSAVG: 2590400 22.5635 29.864 -31.9593 30.4024 -18.7885 -4.35766 -35.8965 -2.77263 8.91285 TIMING: 2590400 CPU: 7506.6, 0.00286696/step Wall: 7506.6, 0.00286696/step, 1.91895 hours remaining, 209.562500 MB of memory in use. ENERGY: 2590400 744.0251 2185.6405 1959.1158 108.4118 -206446.5979 17952.2030 0.0000 0.0000 34293.0617 -149204.1399 299.4898 -183497.2017 -149116.9863 299.0088 82.2202 113.3305 554984.5959 4.4307 4.2293 PRESSURE: 2590600 -7.02568 -55.2741 101.067 -55.2726 -110.793 90.6595 101.065 90.66 -68.24 GPRESSURE: 2590600 0.671921 -28.9173 134.409 -64.904 -37.9918 -6.9335 114.985 88.9483 -58.65 PRESSAVG: 2590600 -4.06154 -12.9731 9.9915 -12.9731 38.0857 -12.4526 9.99146 -12.4527 -20.4074 GPRESSAVG: 2590600 -4.51568 -12.5495 11.323 -13.5887 37.7666 -15.1589 7.91645 -10.9777 -19.3026 TIMING: 2590600 CPU: 7507.18, 0.00289316/step Wall: 7507.18, 0.00289316/step, 1.93632 hours remaining, 209.562500 MB of memory in use. ENERGY: 2590600 725.4263 2112.0193 1931.0066 119.3751 -206028.8098 17503.0333 0.0000 0.0000 34264.7626 -149373.1866 299.2427 -183637.9492 -149276.9425 299.4506 -62.0195 -31.9900 556643.5032 4.5389 4.6494 PRESSURE: 2590800 -102.277 -104.653 70.1951 -104.651 -124.688 27.1051 70.1938 27.1054 -104.139 GPRESSURE: 2590800 -31.1237 -88.3469 -3.24824 -58.0074 -93.4947 70.403 138.882 54.0128 -114.422 PRESSAVG: 2590800 16.6435 44.4597 25.0055 44.4595 -18.0513 47.5119 25.0055 47.5119 -18.3041 GPRESSAVG: 2590800 16.1602 44.848 24.4995 45.442 -17.3547 47.9784 26.0558 46.6123 -18.5003 TIMING: 2590800 CPU: 7507.76, 0.00289969/step Wall: 7507.76, 0.00289969/step, 1.94054 hours remaining, 209.562500 MB of memory in use. ENERGY: 2590800 761.1236 2140.0794 1921.5848 110.0479 -206169.3951 17767.4838 0.0000 0.0000 34020.5335 -149448.5421 297.1098 -183469.0756 -149351.0379 298.2416 -110.3678 -79.6803 558463.7043 -6.5706 -6.5649 PRESSURE: 2591000 23.5266 70.1609 -192.017 70.1603 -35.6519 30.6706 -192.016 30.669 176.479 GPRESSURE: 2591000 32.9233 16.0147 -113.707 86.884 -48.0641 51.4929 -199.761 33.3047 273.982 PRESSAVG: 2591000 72.419 32.6957 -34.2513 32.6957 -7.01763 34.1089 -34.2513 34.1091 -37.0595 GPRESSAVG: 2591000 73.8758 32.9915 -32.6517 31.5364 -9.28975 35.3408 -32.8993 32.5683 -36.7208 TIMING: 2591000 CPU: 7508.33, 0.00287039/step Wall: 7508.33, 0.00287039/step, 1.92077 hours remaining, 209.562500 MB of memory in use. ENERGY: 2591000 736.0097 2052.3607 1935.5160 99.0133 -206158.6930 17886.7455 0.0000 0.0000 34157.6556 -149291.3922 298.3073 -183449.0478 -149193.7245 298.7468 54.7845 86.2803 557679.0645 9.4473 9.2884 PRESSURE: 2591200 -123.219 -114.564 136.553 -114.563 -102.796 92.3729 136.553 92.3724 10.3731 GPRESSURE: 2591200 -114.612 -191.045 219.162 -69.362 -20.4127 8.62025 31.8399 78.9849 16.7317 PRESSAVG: 2591200 32.5952 5.33115 -15.8025 5.3313 -39.9887 26.3004 -15.8024 26.3004 36.1146 GPRESSAVG: 2591200 31.7214 7.9271 -16.9546 5.20026 -39.2164 26.6626 -16.9909 27.4294 36.9379 TIMING: 2591200 CPU: 7508.91, 0.00288728/step Wall: 7508.91, 0.00288728/step, 1.93191 hours remaining, 209.562500 MB of memory in use. ENERGY: 2591200 751.0185 2129.9272 1931.1876 119.8506 -206262.3309 17807.3285 0.0000 0.0000 34315.6405 -149207.3779 299.6870 -183523.0185 -149109.9924 299.5783 -71.8806 -39.4309 556952.8457 9.5737 9.8143 PRESSURE: 2591400 -263.071 -102.873 95.832 -102.873 -381.558 119.504 95.8315 119.505 -218.303 GPRESSURE: 2591400 -168.277 -65.3079 144.333 -100.611 -415.282 103.865 76.3959 94.6197 -176.471 PRESSAVG: 2591400 47.0628 -68.5527 -0.114152 -68.5528 -18.8562 -51.8711 -0.114099 -51.8711 -34.077 GPRESSAVG: 2591400 47.3717 -71.5604 -0.430023 -66.2831 -18.1904 -50.8406 -0.186185 -52.0739 -34.4553 TIMING: 2591400 CPU: 7509.49, 0.00288508/step Wall: 7509.49, 0.00288508/step, 1.93028 hours remaining, 209.562500 MB of memory in use. ENERGY: 2591400 756.7247 2138.0240 1956.7031 113.0155 -205875.6709 17469.8292 0.0000 0.0000 34117.7247 -149323.6497 297.9586 -183441.3744 -149227.5407 298.7407 -287.6439 -253.3433 559235.0058 -1.9568 -1.7580 PRESSURE: 2591600 -29.0388 22.3611 -61.2944 22.3618 72.9194 -82.9639 -61.2941 -82.9631 80.3151 GPRESSURE: 2591600 65.9513 20.3387 -7.3415 67.1656 24.1494 -131.815 -71.2869 -25.6409 132.979 PRESSAVG: 2591600 13.2279 24.1639 -57.7047 24.1639 -65.052 -8.33375 -57.7048 -8.33364 70.4236 GPRESSAVG: 2591600 13.3114 27.2373 -57.7294 21.7012 -65.7151 -10.2881 -58.0396 -7.49098 70.1599 TIMING: 2591600 CPU: 7510.07, 0.00290087/step Wall: 7510.07, 0.00290087/step, 1.94068 hours remaining, 209.562500 MB of memory in use. ENERGY: 2591600 727.9838 2102.4993 1920.4968 114.6369 -206573.5254 18008.9408 0.0000 0.0000 34282.3561 -149416.6117 299.3963 -183698.9678 -149316.1045 298.9131 41.3986 74.3599 556959.2752 6.1998 5.9187 PRESSURE: 2591800 37.6427 -13.436 78.1036 -13.4353 93.7141 -88.9734 78.1049 -88.974 -141.964 GPRESSURE: 2591800 71.0878 -43.8448 42.3411 -4.83254 131.991 -103.186 17.5295 25.8133 -117.721 PRESSAVG: 2591800 -12.4119 27.0434 -14.2698 27.0434 25.8851 29.4212 -14.2698 29.4212 1.57315 GPRESSAVG: 2591800 -12.3839 24.22 -14.083 27.9511 25.5112 29.8288 -14.5707 27.9149 1.60074 TIMING: 2591800 CPU: 7510.65, 0.00288482/step Wall: 7510.65, 0.00288482/step, 1.92979 hours remaining, 209.562500 MB of memory in use. ENERGY: 2591800 741.9347 2143.3668 1931.0795 109.7052 -206597.0375 17923.1729 0.0000 0.0000 34425.2676 -149322.5109 300.6444 -183747.7785 -149231.7733 299.4272 -3.5359 28.4525 557188.1668 5.0155 4.9093 PRESSURE: 2592000 -36.5075 -80.8227 -89.2017 -80.822 -186.148 -257.324 -89.2025 -257.323 126.691 GPRESSURE: 2592000 13.4755 -18.1263 -118.576 -121.778 -194.531 -204.776 -108.142 -242.475 173.091 PRESSAVG: 2592000 36.8269 -54.207 -61.4683 -54.207 3.69373 -17.6924 -61.4684 -17.6923 -10.9131 GPRESSAVG: 2592000 37.4813 -52.6099 -62.124 -54.1584 3.58594 -17.6518 -60.516 -16.8343 -11.2683 TIMING: 2592000 CPU: 7511.22, 0.00289182/step Wall: 7511.22, 0.00289182/step, 1.93431 hours remaining, 209.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2592000 791.3082 2066.3177 1960.3455 128.2405 -206149.6341 17653.2287 0.0000 0.0000 34298.5378 -149251.6556 299.5377 -183550.1934 -149159.4239 299.4499 -31.9880 -2.6549 556527.2342 9.8692 9.9330 PRESSURE: 2592200 73.2882 -95.6619 -13.8855 -95.6614 -53.9159 -126.253 -13.8867 -126.254 -249.05 GPRESSURE: 2592200 108.108 -133.737 -23.2342 -141.829 -1.56432 -141.302 -9.76728 -117.325 -238.376 PRESSAVG: 2592200 58.7542 -20.7716 -18.003 -20.7716 -32.2319 -6.56042 -18.003 -6.56032 -31.3468 GPRESSAVG: 2592200 58.0374 -23.0396 -18.1353 -19.9124 -31.4415 -7.16749 -18.0621 -6.82191 -31.3397 TIMING: 2592200 CPU: 7511.8, 0.00287506/step Wall: 7511.8, 0.00287506/step, 1.92293 hours remaining, 209.562500 MB of memory in use. ENERGY: 2592200 751.6883 2111.5364 1954.5879 119.4911 -206261.7430 17816.3196 0.0000 0.0000 34077.5766 -149430.5431 297.6080 -183508.1196 -149336.6051 299.0889 -76.5592 -43.9442 556427.2456 -1.6082 -1.5813 LDB: ============= START OF LOAD BALANCING ============== 7515.18 LDB: ============== END OF LOAD BALANCING =============== 7515.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7515.19 LDB: ============= START OF LOAD BALANCING ============== 7515.48 LDB: Largest compute 4800 load 0.023703 is 20.1% of average load 0.117926 LDB: Average compute 0.001741 is 1.5% of average load 0.117926 LDB: TIME 7515.48 LOAD: AVG 0.117926 MAX 0.179604 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.266 MB LDB: TIME 7515.48 LOAD: AVG 0.117926 MAX 0.179604 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.297 MB LDB: TIME 7515.48 LOAD: AVG 0.117926 MAX 0.179604 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.297 MB LDB: ============== END OF LOAD BALANCING =============== 7515.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7515.49 PRESSURE: 2592400 -93.53 116.767 162.131 116.769 -80.4455 -13.1387 162.13 -13.138 -223.807 GPRESSURE: 2592400 -107.577 178.637 131.446 35.9468 -49.0875 35.0407 32.1967 -58.9996 -139.171 PRESSAVG: 2592400 10.8052 -13.3803 -10.3237 -13.3804 -1.14759 -22.6244 -10.3237 -22.6244 10.0077 GPRESSAVG: 2592400 10.7224 -11.264 -9.42452 -13.3272 -1.19365 -22.0066 -10.2044 -23.4009 9.32551 TIMING: 2592400 CPU: 7512.39, 0.00295301/step Wall: 7512.39, 0.00295301/step, 1.97491 hours remaining, 208.195312 MB of memory in use. ENERGY: 2592400 763.8852 2078.2796 1953.2543 106.6520 -206463.2497 17738.1888 0.0000 0.0000 34266.3782 -149556.6116 299.2568 -183822.9897 -149458.4081 298.9325 -132.5940 -98.6118 556133.0134 6.5551 6.2847 PRESSURE: 2592600 212.733 -50.6324 24.7252 -50.6332 319.753 238.96 24.7246 238.96 75.2095 GPRESSURE: 2592600 229.788 -34.6466 -31.7422 -60.5287 363.456 169.605 37.3837 171.73 126.386 PRESSAVG: 2592600 27.7826 31.4884 2.06677 31.4885 -25.5154 46.9032 2.06685 46.9032 -21.6352 GPRESSAVG: 2592600 29.4465 30.3381 3.76936 31.6033 -27.7204 47.523 1.41759 47.1553 -21.787 TIMING: 2592600 CPU: 7512.96, 0.00287198/step Wall: 7512.96, 0.00287198/step, 1.92055 hours remaining, 208.398438 MB of memory in use. ENERGY: 2592600 715.1287 2171.8729 1963.8965 119.4664 -206401.0351 17912.6872 0.0000 0.0000 33998.3733 -149519.6101 296.9162 -183517.9834 -149430.3894 298.5239 202.5652 239.8767 555656.2321 -6.4560 -6.6870 PRESSURE: 2592800 -133.648 -22.4496 13.8025 -22.4515 -18.3732 -104.433 13.8023 -104.433 21.6467 GPRESSURE: 2592800 -91.3186 26.1357 65.1189 -54.7576 7.53765 -52.6964 -14.721 -84.8943 60.6884 PRESSAVG: 2592800 19.0913 -27.1275 -14.6372 -27.1275 -26.886 -16.0321 -14.6373 -16.0321 -1.64287 GPRESSAVG: 2592800 18.3655 -26.9012 -16.6023 -26.8212 -25.9598 -16.7458 -15.2539 -15.4745 -1.85301 TIMING: 2592800 CPU: 7513.54, 0.00285763/step Wall: 7513.54, 0.00285763/step, 1.9108 hours remaining, 208.398438 MB of memory in use. ENERGY: 2592800 750.1239 2078.2656 1970.5092 125.8169 -206184.0737 17667.0439 0.0000 0.0000 34365.5402 -149226.7741 300.1228 -183592.3143 -149131.5890 299.2616 -43.4580 -7.6975 556756.3222 -3.1459 -3.1491 PRESSURE: 2593000 -96.8001 198.234 -70.58 198.233 -52.2865 -90.0569 -70.5792 -90.0582 -327.223 GPRESSURE: 2593000 -51.3648 186.869 -22.6441 190.575 11.207 -154.709 -52.9436 -45.3044 -320.889 PRESSAVG: 2593000 18.8811 50.2821 44.6678 50.2821 25.9157 15.6236 44.6677 15.6237 -49.0789 GPRESSAVG: 2593000 17.6185 51.7597 43.686 48.9016 26.7248 16.0367 47.2527 16.0574 -48.5804 TIMING: 2593000 CPU: 7514.11, 0.00286384/step Wall: 7514.11, 0.00286384/step, 1.91479 hours remaining, 208.398438 MB of memory in use. ENERGY: 2593000 751.8890 2137.5586 1973.1503 106.8535 -205842.9418 17515.2957 0.0000 0.0000 34004.7908 -149353.4040 296.9723 -183358.1948 -149265.0007 299.3146 -158.7697 -120.3490 557201.3786 -1.4274 -1.4123 PRESSURE: 2593200 102.398 54.2152 -2.862 54.2156 -198.539 5.63515 -2.86133 5.6343 -45.7049 GPRESSURE: 2593200 142.383 18.5873 7.70266 64.079 -131.104 14.4859 -22.4493 59.2696 -42.8589 PRESSAVG: 2593200 45.2148 -5.5789 6.52964 -5.57881 -8.32352 -16.7184 6.5296 -16.7184 -27.4283 GPRESSAVG: 2593200 45.7111 -7.5744 8.87343 -2.92574 -8.77992 -17.5625 5.17229 -16.1177 -27.7277 TIMING: 2593200 CPU: 7514.69, 0.00288579/step Wall: 7514.69, 0.00288579/step, 1.92931 hours remaining, 208.398438 MB of memory in use. ENERGY: 2593200 733.9877 2061.6647 1963.8945 117.5096 -206238.6240 17679.5209 0.0000 0.0000 34454.9876 -149227.0589 300.9040 -183682.0465 -149133.6147 298.8886 -47.2820 -10.5268 557719.8116 3.1543 3.0678 PRESSURE: 2593400 -70.8337 66.163 -71.8707 66.1637 -156.211 123.568 -71.8706 123.567 -138.983 GPRESSURE: 2593400 -30.2335 133.748 -54.7982 68.0808 -129.637 92.6778 -23.5739 75.4469 -99.6815 PRESSAVG: 2593400 10.269 54.7124 0.887447 54.7124 -6.38297 -17.7606 0.887469 -17.7606 -30.2879 GPRESSAVG: 2593400 9.55444 56.2526 1.85539 52.2371 -4.60637 -15.298 1.84716 -19.598 -31.2405 TIMING: 2593400 CPU: 7515.26, 0.00288494/step Wall: 7515.26, 0.00288494/step, 1.92858 hours remaining, 208.398438 MB of memory in use. ENERGY: 2593400 757.9224 2069.0494 1954.5715 110.1088 -205693.6764 17511.3526 0.0000 0.0000 34133.5879 -149157.0838 298.0971 -183290.6717 -149069.2249 299.0265 -122.0092 -86.5172 558145.6760 -8.8006 -8.7642 PRESSURE: 2593600 -140.567 45.2429 117.283 45.2442 -310.494 110.525 117.282 110.526 297.048 GPRESSURE: 2593600 -103.582 24.6772 104.756 31.2684 -230.538 153.605 -11.8819 75.7856 292.212 PRESSAVG: 2593600 11.0172 31.0936 -20.8292 31.0936 2.26944 18.0941 -20.8292 18.0941 -32.6932 GPRESSAVG: 2593600 11.2254 30.0758 -22.1154 32.104 0.458378 16.2958 -21.5014 20.5147 -31.1552 TIMING: 2593600 CPU: 7515.84, 0.00289425/step Wall: 7515.84, 0.00289425/step, 1.93464 hours remaining, 208.398438 MB of memory in use. ENERGY: 2593600 689.7315 2083.8944 1949.8721 111.1952 -206153.0270 17743.6536 0.0000 0.0000 34576.9562 -148997.7238 301.9692 -183574.6800 -148902.8246 300.7407 -51.3375 -13.9693 558678.9505 -6.4688 -6.4905 PRESSURE: 2593800 194.632 74.2391 -184.439 74.2408 -34.9371 -71.0934 -184.438 -71.0949 -47.9046 GPRESSURE: 2593800 198.174 141.267 -216.162 8.31906 3.18272 -51.0289 -148.638 -7.64858 14.5461 PRESSAVG: 2593800 26.5763 -31.7228 -23.5757 -31.7227 -76.4338 -10.1083 -23.5757 -10.1083 89.0544 GPRESSAVG: 2593800 26.9263 -31.606 -23.3272 -31.2241 -77.1308 -11.1432 -23.8824 -10.466 89.5386 TIMING: 2593800 CPU: 7516.42, 0.00290718/step Wall: 7516.42, 0.00290718/step, 1.94313 hours remaining, 208.398438 MB of memory in use. ENERGY: 2593800 738.3176 2072.3867 1976.0331 120.3059 -206347.2105 17968.9739 0.0000 0.0000 34448.0935 -149023.0999 300.8438 -183471.1933 -148926.3355 300.1837 37.2634 71.9678 557873.4510 13.0656 13.1114 PRESSURE: 2594000 302.484 125.69 31.7178 125.69 13.9383 -112.061 31.7167 -112.061 147.683 GPRESSURE: 2594000 345.31 76.2655 88.5077 52.6676 9.81058 -166.261 82.583 -112.685 212.214 PRESSAVG: 2594000 12.0784 -10.5248 -11.1859 -10.5247 22.9712 -8.00646 -11.1858 -8.00647 11.0411 GPRESSAVG: 2594000 12.1406 -10.1162 -8.73755 -12.09 24.0615 -7.96951 -11.5343 -7.41351 10.3571 TIMING: 2594000 CPU: 7517, 0.00288875/step Wall: 7517, 0.00288875/step, 1.93065 hours remaining, 208.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2594000 755.0001 2072.7148 1935.4776 104.7066 -206529.2299 18138.3362 0.0000 0.0000 34407.3582 -149115.6364 300.4880 -183522.9946 -149023.7167 299.3563 154.7020 189.1113 557882.7101 15.3635 15.5197 PRESSURE: 2594200 -52.212 23.1194 -48.8312 23.1201 -200.303 -71.0154 -48.8307 -71.0155 -349.268 GPRESSURE: 2594200 11.7949 1.85097 -73.5033 38.9274 -167.996 -90.9765 50.499 -55.0007 -343.142 PRESSAVG: 2594200 -2.93663 -24.8078 -85.9519 -24.8078 29.8002 -0.599011 -85.952 -0.599123 -18.8499 GPRESSAVG: 2594200 -2.72681 -26.5737 -89.852 -22.7977 31.237 -0.976688 -83.5499 0.427556 -19.8508 TIMING: 2594200 CPU: 7517.58, 0.00290348/step Wall: 7517.58, 0.00290348/step, 1.94033 hours remaining, 208.398438 MB of memory in use. ENERGY: 2594200 803.5165 2088.5509 1976.8324 124.3866 -206223.8736 17710.8250 0.0000 0.0000 34254.2881 -149265.4741 299.1512 -183519.7622 -149172.9372 299.3255 -200.5945 -166.4478 557669.8781 2.6712 2.8865 PRESSURE: 2594400 -333.709 -33.142 107.04 -33.1426 -32.4387 89.8537 107.039 89.8539 -23.0892 GPRESSURE: 2594400 -259.127 -92.2932 109.921 -10.5829 -29.0913 71.803 66.4911 87.2733 -10.7516 PRESSAVG: 2594400 19.8735 21.2915 -42.3322 21.2914 33.134 -49.5299 -42.3322 -49.5299 -10.5671 GPRESSAVG: 2594400 20.5657 21.8779 -41.0545 21.8698 31.2052 -49.2049 -44.612 -53.594 -9.7524 TIMING: 2594400 CPU: 7518.16, 0.00289715/step Wall: 7518.16, 0.00289715/step, 1.93594 hours remaining, 208.398438 MB of memory in use. ENERGY: 2594400 740.9201 2073.1577 1950.9171 114.1653 -205756.5029 17575.1619 0.0000 0.0000 34220.8385 -149081.3424 298.8591 -183302.1809 -148980.7248 299.4716 -129.7455 -99.6565 557946.3294 14.1468 14.0062 PRESSURE: 2594600 -116.583 -36.4315 -101.658 -36.4324 -207.609 -110.702 -101.659 -110.702 -254.493 GPRESSURE: 2594600 -64.4154 114.265 -124.55 -92.2458 -173.141 -144.449 -83.7309 -95.2459 -247.444 PRESSAVG: 2594600 -39.3032 38.0712 -68.6054 38.0711 -2.0262 -82.8876 -68.6055 -82.8877 30.5982 GPRESSAVG: 2594600 -40.3209 39.8482 -68.3274 36.8546 0.0776091 -82.2306 -68.0441 -81.5124 29.7477 TIMING: 2594600 CPU: 7518.74, 0.0028758/step Wall: 7518.74, 0.0028758/step, 1.92151 hours remaining, 208.398438 MB of memory in use. ENERGY: 2594600 741.3462 2107.7746 1970.4002 105.7571 -206071.5061 17610.1089 0.0000 0.0000 34384.4403 -149151.6788 300.2879 -183536.1190 -149058.7507 299.6963 -192.8952 -161.6667 557403.0624 -3.5771 -3.4985 PRESSURE: 2594800 -151.456 -106.356 -98.2972 -106.355 57.9829 -100.228 -98.2955 -100.229 -64.1818 GPRESSURE: 2594800 -139.197 -32.0548 -39.7125 -61.3859 52.728 -54.8821 -63.7072 -166.802 28.7295 PRESSAVG: 2594800 -27.8793 49.9158 -64.6191 49.9158 -12.7112 -8.87571 -64.619 -8.87559 -2.79033 GPRESSAVG: 2594800 -27.4647 48.4304 -65.714 49.6201 -14.6253 -8.27275 -63.8858 -8.96663 -1.30854 TIMING: 2594800 CPU: 7519.31, 0.00287495/step Wall: 7519.31, 0.00287495/step, 1.92079 hours remaining, 208.398438 MB of memory in use. ENERGY: 2594800 719.1805 2099.3591 1960.8441 112.6484 -205983.5100 17645.4029 0.0000 0.0000 34241.3985 -149204.6766 299.0386 -183446.0751 -149107.0982 299.5146 -52.5516 -19.2464 557505.0156 -14.4603 -14.4662 PRESSURE: 2595000 -258.552 -23.2199 43.6524 -23.2189 -122.358 8.7957 43.6529 8.79365 -201.942 GPRESSURE: 2595000 -204.927 -93.6951 49.7352 -63.3617 -113.732 -12.2849 68.4435 24.871 -193.735 PRESSAVG: 2595000 -25.8336 -5.14591 -23.9851 -5.14597 39.4235 -66.3533 -23.9851 -66.3533 49.9194 GPRESSAVG: 2595000 -25.6289 -3.76488 -22.9906 -6.76637 40.0463 -65.7901 -25.7854 -66.6497 48.6732 TIMING: 2595000 CPU: 7519.89, 0.00288208/step Wall: 7519.89, 0.00288208/step, 1.92539 hours remaining, 208.398438 MB of memory in use. ENERGY: 2595000 742.1039 2120.5361 1955.3165 114.6194 -205904.4946 17468.6009 0.0000 0.0000 34253.9959 -149249.3219 299.1487 -183503.3178 -149155.8198 299.7565 -194.2842 -170.7978 559580.7728 21.1697 21.0302 PRESSURE: 2595200 241.322 -174.425 196.543 -174.426 -56.4793 -18.6906 196.545 -18.6923 42.0491 GPRESSURE: 2595200 263.458 -228.924 178.201 -61.4803 18.0682 -132.488 202.35 75.0371 31.0434 PRESSAVG: 2595200 36.0766 12.1705 19.3278 12.1703 -15.2905 19.1678 19.3279 19.1679 3.21582 GPRESSAVG: 2595200 36.2782 11.3271 19.5643 12.2322 -15.5225 16.1874 21.0417 19.5564 3.51974 TIMING: 2595200 CPU: 7520.47, 0.00288926/step Wall: 7520.47, 0.00288926/step, 1.93003 hours remaining, 208.398438 MB of memory in use. ENERGY: 2595200 747.2818 2111.1198 1987.6944 105.0466 -206230.0598 17827.5874 0.0000 0.0000 34086.7987 -149364.5310 297.6885 -183451.3297 -149273.0769 299.2198 75.6306 104.1900 556494.2032 8.0007 8.0918 PRESSURE: 2595400 -59.69 -9.24518 -93.8679 -9.24659 -65.4405 188.642 -93.8676 188.642 -4.4617 GPRESSURE: 2595400 -36.5669 -3.3451 -77.8774 -59.5555 -11.0342 240.148 -152.634 192.123 20.9303 PRESSAVG: 2595400 -25.1681 14.9918 20.1866 14.9918 2.69176 -4.29476 20.1866 -4.2948 1.37915 GPRESSAVG: 2595400 -25.7651 15.3597 20.9252 16.4838 3.84708 -2.17173 19.2887 -4.32082 1.37285 TIMING: 2595400 CPU: 7521.05, 0.0029062/step Wall: 7521.05, 0.0029062/step, 1.94118 hours remaining, 208.398438 MB of memory in use. ENERGY: 2595400 731.2260 2034.5244 1940.9399 112.5162 -206066.4022 17745.0169 0.0000 0.0000 34161.4250 -149340.7539 298.3402 -183502.1789 -149240.3694 298.4937 -43.1974 -8.8903 558516.4497 -7.0324 -6.8484 PRESSURE: 2595600 42.5474 87.9812 -39.8763 87.9803 -79.6587 92.3142 -39.8765 92.3169 -57.0182 GPRESSURE: 2595600 90.2265 81.1083 -27.7863 115.262 -5.5725 24.6154 30.5374 169.378 -73.8191 PRESSAVG: 2595600 7.53198 8.96451 -5.63785 8.96455 61.7344 33.6368 -5.63785 33.6368 -36.1115 GPRESSAVG: 2595600 8.83655 10.1929 -5.6577 8.53651 60.1812 33.5409 -6.86808 34.0777 -36.1719 TIMING: 2595600 CPU: 7521.63, 0.00289572/step Wall: 7521.63, 0.00289572/step, 1.93402 hours remaining, 208.398438 MB of memory in use. ENERGY: 2595600 728.8017 2045.3089 1934.3452 108.6628 -206142.8968 17784.5396 0.0000 0.0000 34208.4590 -149332.7795 298.7510 -183541.2386 -149240.8813 298.3274 -31.3765 3.6116 559503.2324 11.0516 10.9486 PRESSURE: 2595800 108.605 205.335 20.5358 205.336 160.264 -20.7115 20.5363 -20.7102 1.3156 GPRESSURE: 2595800 171.904 161.462 25.9877 311.377 161.22 -66.1963 49.5092 74.7753 35.2477 PRESSAVG: 2595800 -36.1941 74.6381 -23.1068 74.638 85.3746 75.6685 -23.1067 75.6685 -29.4241 GPRESSAVG: 2595800 -37.5707 71.7162 -21.8983 75.6213 85.2548 74.8753 -24.0205 76.7132 -28.1495 TIMING: 2595800 CPU: 7522.21, 0.0029193/step Wall: 7522.21, 0.0029193/step, 1.94961 hours remaining, 208.398438 MB of memory in use. ENERGY: 2595800 734.6299 2098.2730 1948.2150 110.5952 -206384.2105 18103.5269 0.0000 0.0000 34156.8682 -149232.1024 298.3004 -183388.9705 -149131.9570 298.3877 90.0616 122.7906 558368.8273 6.5855 6.5115 PRESSURE: 2596000 -192.282 24.0871 -1.64112 24.0885 -313.791 163.642 -1.64114 163.643 -381.465 GPRESSURE: 2596000 -134.802 -32.0675 -61.5947 56.0578 -308.046 101.922 32.5946 163.43 -341.08 PRESSAVG: 2596000 35.8216 66.1795 -47.0541 66.1795 57.2944 -10.1582 -47.0541 -10.1581 -65.488 GPRESSAVG: 2596000 37.0505 67.9918 -48.4835 65.4132 57.8139 -10.6293 -45.0932 -12.1138 -66.7449 TIMING: 2596000 CPU: 7522.79, 0.00291915/step Wall: 7522.79, 0.00291915/step, 1.94934 hours remaining, 208.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2596000 734.2180 2066.7325 1934.3034 117.3014 -205466.4257 17305.1029 0.0000 0.0000 34074.4629 -149234.3046 297.5808 -183308.7675 -149137.5161 298.7933 -295.8464 -261.3095 558908.4105 9.2093 9.3732 PRESSURE: 2596200 -140.73 -109.284 26.7763 -109.285 -53.0221 -21.7451 26.7757 -21.7452 -72.7673 GPRESSURE: 2596200 -133.606 -180.198 -2.75017 -69.317 -15.7542 -43.3856 171.535 -41.3973 -20.021 PRESSAVG: 2596200 -3.22568 34.6991 37.045 34.6991 -33.9308 -16.9089 37.0449 -16.9088 -16.4106 GPRESSAVG: 2596200 -3.88893 34.2108 36.7099 34.3945 -34.1068 -13.6674 36.621 -17.2344 -15.6305 TIMING: 2596200 CPU: 7523.37, 0.00290311/step Wall: 7523.37, 0.00290311/step, 1.93847 hours remaining, 208.398438 MB of memory in use. ENERGY: 2596200 738.8033 2057.3096 1941.3671 112.6702 -206075.9989 17565.9183 0.0000 0.0000 34470.9678 -149188.9625 301.0435 -183659.9304 -149090.8479 298.9665 -88.8399 -56.4603 556682.2494 -17.8557 -17.8754 LDB: ============= START OF LOAD BALANCING ============== 7526.76 LDB: ============== END OF LOAD BALANCING =============== 7526.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7526.76 LDB: ============= START OF LOAD BALANCING ============== 7527.05 LDB: Largest compute 4800 load 0.023167 is 19.7% of average load 0.117890 LDB: Average compute 0.001740 is 1.5% of average load 0.117890 LDB: TIME 7527.06 LOAD: AVG 0.11789 MAX 0.177736 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.684 MB LDB: TIME 7527.06 LOAD: AVG 0.11789 MAX 0.177736 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: TIME 7527.06 LOAD: AVG 0.11789 MAX 0.177736 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: ============== END OF LOAD BALANCING =============== 7527.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7527.06 PRESSURE: 2596400 94.2255 92.5746 43.4923 92.5756 33.0969 -34.8692 43.4928 -34.8687 -56.9732 GPRESSURE: 2596400 183.04 76.0257 13.6284 154.15 98.6651 -20.6954 27.2899 21.546 -112.726 PRESSAVG: 2596400 -0.439298 12.6434 56.829 12.6435 -5.03975 -59.1361 56.8289 -59.136 -7.78985 GPRESSAVG: 2596400 -1.6215 14.2411 57.2474 13.7683 -3.64331 -60.5461 57.4625 -59.3816 -8.12773 TIMING: 2596400 CPU: 7523.97, 0.00295847/step Wall: 7523.97, 0.00295847/step, 1.97527 hours remaining, 209.917969 MB of memory in use. ENERGY: 2596400 732.3911 2127.6638 1943.0306 112.4560 -206329.2227 17934.3054 0.0000 0.0000 34389.1179 -149090.2579 300.3287 -183479.3758 -148994.2901 299.3450 23.4497 56.3264 557310.9710 -4.4230 -4.4642 PRESSURE: 2596600 -206.283 26.8684 1.25869 26.8675 -11.7349 -54.5354 1.25968 -54.5345 128.732 GPRESSURE: 2596600 -191.701 48.4856 10.8145 45.4171 41.2393 -91.3115 1.65789 -41.4676 152.419 PRESSAVG: 2596600 -6.75515 19.768 21.6185 19.7681 13.8386 -15.9409 21.6185 -15.9409 -40.2832 GPRESSAVG: 2596600 -5.27916 19.2398 20.7481 19.0188 12.4402 -15.9495 20.7499 -15.4872 -40.6375 TIMING: 2596600 CPU: 7524.54, 0.00288934/step Wall: 7524.54, 0.00288934/step, 1.92896 hours remaining, 210.121094 MB of memory in use. ENERGY: 2596600 735.9552 2083.5430 1936.5198 111.1297 -205950.8435 17671.1044 0.0000 0.0000 34335.6752 -149076.9163 299.8620 -183412.5915 -148982.8475 299.7001 -29.7619 0.6524 557894.1439 -11.0666 -11.1588 PRESSURE: 2596800 38.4736 15.275 150.43 15.2744 120.498 -27.4239 150.429 -27.4231 88.2738 GPRESSURE: 2596800 61.3862 -69.1692 130.718 34.19 138.458 62.1277 173.746 -55.937 156.594 PRESSAVG: 2596800 -29.1232 44.9015 28.9776 44.9015 30.0791 11.884 28.9776 11.8841 23.1372 GPRESSAVG: 2596800 -29.1063 44.9708 30.313 43.6261 30.8219 14.1192 29.3294 11.3704 23.0977 TIMING: 2596800 CPU: 7525.12, 0.00289813/step Wall: 7525.12, 0.00289813/step, 1.93466 hours remaining, 210.121094 MB of memory in use. ENERGY: 2596800 748.9212 2109.4976 1970.2500 106.2388 -206303.0289 17900.1630 0.0000 0.0000 34272.0585 -149195.8996 299.3064 -183467.9581 -149101.3771 298.7643 82.4151 118.8128 557595.9774 8.0311 8.2711 PRESSURE: 2597000 207.851 52.3416 115.204 52.342 -129.601 194.568 115.205 194.566 -91.7776 GPRESSURE: 2597000 225.604 56.9677 95.6778 26.6475 -117.307 265.75 128.319 117.495 -12.5867 PRESSAVG: 2597000 -8.98676 -12.917 28.3757 -12.917 14.6947 -37.1328 28.3757 -37.1329 34.0627 GPRESSAVG: 2597000 -8.24913 -13.3855 28.55 -12.7247 14.5195 -38.4976 28.7438 -37.3117 33.6163 TIMING: 2597000 CPU: 7525.7, 0.00290099/step Wall: 7525.7, 0.00290099/step, 1.93641 hours remaining, 210.121094 MB of memory in use. ENERGY: 2597000 787.9126 2073.6599 1972.5620 113.5209 -206360.4615 17883.2665 0.0000 0.0000 34174.6175 -149354.9220 298.4554 -183529.5395 -149268.7291 299.1412 -4.5091 31.9034 555723.2025 13.2569 13.2955 PRESSURE: 2597200 -125.141 122.993 -35.0527 122.994 -57.5855 44.1038 -35.0523 44.1037 -241.332 GPRESSURE: 2597200 -65.7846 130.752 -46.9171 140.962 -14.31 45.3618 23.6327 33.09 -254.696 PRESSAVG: 2597200 -10.2432 23.9734 60.8978 23.9735 40.2011 55.5783 60.8978 55.5783 -17.6408 GPRESSAVG: 2597200 -10.4307 23.5864 62.2503 25.3777 39.4082 54.06 58.0739 55.6192 -16.9324 TIMING: 2597200 CPU: 7526.28, 0.00290205/step Wall: 7526.28, 0.00290205/step, 1.93696 hours remaining, 210.121094 MB of memory in use. ENERGY: 2597200 761.3383 2082.5736 1936.2719 120.0233 -205645.7466 17358.9103 0.0000 0.0000 34146.0780 -149240.5512 298.2062 -183386.6292 -149148.4633 298.7139 -141.3527 -111.5970 556515.1273 4.1057 4.0150 PRESSURE: 2597400 248.38 -8.18192 -89.7473 -8.18116 -169.442 61.6185 -89.7481 61.6198 108.662 GPRESSURE: 2597400 238.119 -13.9164 -31.8264 52.2009 -141.056 106.084 -95.6913 89.5998 185.73 PRESSAVG: 2597400 -0.94938 24.0333 -26.7016 24.0333 39.5826 5.78974 -26.7016 5.78977 -58.8503 GPRESSAVG: 2597400 -2.88761 24.2041 -28.9738 22.8108 41.4806 8.04956 -23.1762 6.61483 -59.4291 TIMING: 2597400 CPU: 7526.86, 0.00288994/step Wall: 7526.86, 0.00288994/step, 1.92871 hours remaining, 210.121094 MB of memory in use. ENERGY: 2597400 772.7212 2028.2604 1967.6279 121.0571 -206048.4650 17804.6752 0.0000 0.0000 34193.0944 -149161.0288 298.6168 -183354.1232 -149069.4809 299.3596 62.5332 94.2640 557136.2883 -6.7390 -6.9454 PRESSURE: 2597600 -203.587 61.1414 -77.6991 61.1411 -199.698 -6.34607 -77.6978 -6.34551 102.331 GPRESSURE: 2597600 -165.694 125.117 -84.5155 19.9796 -172.915 -26.2396 12.3097 55.3766 130.413 PRESSAVG: 2597600 17.232 42.7292 -45.3386 42.7292 -6.25183 2.90214 -45.3386 2.90211 33.7639 GPRESSAVG: 2597600 18.456 43.7015 -46.2622 42.8257 -6.21504 1.60885 -45.5731 3.33508 32.633 TIMING: 2597600 CPU: 7527.44, 0.00289254/step Wall: 7527.44, 0.00289254/step, 1.93029 hours remaining, 210.324219 MB of memory in use. ENERGY: 2597600 747.4028 2056.6822 1944.1976 123.5922 -206116.2585 17605.2249 0.0000 0.0000 34410.1471 -149229.0117 300.5124 -183639.1588 -149134.3171 299.2872 -100.3181 -69.3987 556587.5111 14.9147 14.9580 PRESSURE: 2597800 137.836 -24.0708 142.194 -24.0709 -50.1003 -79.9724 142.194 -79.9715 -159.752 GPRESSURE: 2597800 186.192 45.1252 135.06 -157.565 60.2529 -10.6022 63.6807 -53.7983 -212.814 PRESSAVG: 2597800 -20.6071 13.7385 43.7265 13.7386 25.9221 -81.9736 43.7264 -81.9735 46.242 GPRESSAVG: 2597800 -20.7433 12.0608 43.7989 15.0683 24.9475 -83.0062 43.5257 -82.954 47.1491 TIMING: 2597800 CPU: 7528.02, 0.00291074/step Wall: 7528.02, 0.00291074/step, 1.94227 hours remaining, 210.324219 MB of memory in use. ENERGY: 2597800 778.7746 2070.5259 1939.5166 111.0404 -206434.5525 17769.1748 0.0000 0.0000 34274.3896 -149491.1307 299.3268 -183765.5203 -149396.7749 298.5169 -24.0052 11.2102 554964.7157 17.1857 17.1178 PRESSURE: 2598000 252.124 -92.7417 258.452 -92.7419 47.4495 76.0556 258.452 76.057 264.312 GPRESSURE: 2598000 313.484 -171.93 191.86 -73.5951 87.4948 157.477 355.073 97.3203 266.868 PRESSAVG: 2598000 9.10527 -27.6542 54.2215 -27.6542 -59.0464 -13.6762 54.2214 -13.6762 41.1592 GPRESSAVG: 2598000 8.08787 -27.9966 54.2158 -28.6809 -57.8262 -13.0404 54.246 -12.8329 40.551 TIMING: 2598000 CPU: 7528.6, 0.00288145/step Wall: 7528.6, 0.00288145/step, 1.92257 hours remaining, 210.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2598000 689.0029 2139.8245 1943.8704 118.5479 -206555.5701 18112.2983 0.0000 0.0000 34173.1777 -149378.8484 298.4429 -183552.0261 -149274.6352 298.5464 187.9619 222.6157 554701.2158 -2.9273 -3.0624 PRESSURE: 2598200 22.61 -109.091 35.6194 -109.092 24.3073 78.6741 35.6192 78.6743 -167.233 GPRESSURE: 2598200 36.8935 -36.0838 15.6433 -48.9941 17.0153 130.025 16.4524 -22.6214 -82.5801 PRESSAVG: 2598200 37.8556 -2.29378 -14.2566 -2.29374 -82.8736 0.276665 -14.2565 0.276644 16.0162 GPRESSAVG: 2598200 38.7318 -0.519098 -12.8189 -2.49306 -83.3751 0.0724607 -15.0654 -0.98402 16.1232 TIMING: 2598200 CPU: 7529.18, 0.00288737/step Wall: 7529.18, 0.00288737/step, 1.92636 hours remaining, 210.324219 MB of memory in use. ENERGY: 2598200 744.5787 2178.6724 1971.7305 111.8359 -206204.5209 17685.0218 0.0000 0.0000 34302.5170 -149210.1646 299.5724 -183512.6816 -149120.7793 299.2253 -40.1052 -9.5571 555877.4912 -9.6673 -9.5067 PRESSURE: 2598400 -11.4497 114.671 95.8263 114.67 -45.9001 32.6264 95.8264 32.6283 133.298 GPRESSURE: 2598400 65.745 162.192 27.1506 92.3941 -47.7254 20.746 65.0855 -54.7077 154.364 PRESSAVG: 2598400 -6.44167 30.1755 23.2723 30.1755 -34.8422 -21.3171 23.2723 -21.3171 -4.80928 GPRESSAVG: 2598400 -6.85232 29.8911 24.3218 31.15 -35.5172 -22.9835 21.7375 -19.5767 -3.87873 TIMING: 2598400 CPU: 7529.76, 0.00291274/step Wall: 7529.76, 0.00291274/step, 1.94312 hours remaining, 210.324219 MB of memory in use. ENERGY: 2598400 730.7183 2086.5948 1963.3327 110.5229 -206334.3970 17793.0649 0.0000 0.0000 34475.8742 -149174.2892 301.0864 -183650.1634 -149080.0694 299.8379 25.3159 57.4612 556413.4484 -15.3644 -15.4161 PRESSURE: 2598600 -75.6154 -70.0999 59.0713 -70.0995 -284.672 -75.279 59.0716 -75.2807 19.7595 GPRESSURE: 2598600 -65.0794 -66.8105 91.587 -60.6518 -243.572 -54.1045 95.727 -116.58 49.4704 PRESSAVG: 2598600 -28.4039 -19.067 5.8016 -19.0669 50.3926 -1.90604 5.80149 -1.90606 49.7321 GPRESSAVG: 2598600 -28.7634 -19.1775 4.09259 -18.4286 50.6756 -1.06149 7.58362 -1.0374 49.2562 TIMING: 2598600 CPU: 7530.34, 0.00289768/step Wall: 7530.34, 0.00289768/step, 1.93292 hours remaining, 210.324219 MB of memory in use. ENERGY: 2598600 778.9840 2101.0460 1964.0948 117.1714 -206261.2185 17852.4220 0.0000 0.0000 34352.5625 -149094.9377 300.0095 -183447.5002 -148994.9723 299.6741 -113.5093 -86.3938 556577.7656 23.9070 23.7228 PRESSURE: 2598800 104.587 124.536 21.6223 124.537 96.0468 67.4577 21.621 67.4592 109.843 GPRESSURE: 2598800 137.206 148.896 27.07 18.563 103.869 41.4963 65.3778 7.86394 175.115 PRESSAVG: 2598800 15.3296 -62.0433 -23.3902 -62.0434 -74.1221 -3.29523 -23.3901 -3.29511 39.2288 GPRESSAVG: 2598800 16.7193 -63.5319 -25.0974 -62.3966 -75.4256 -3.71718 -23.3034 -4.24414 39.6067 TIMING: 2598800 CPU: 7530.91, 0.00287847/step Wall: 7530.91, 0.00287847/step, 1.91994 hours remaining, 210.324219 MB of memory in use. ENERGY: 2598800 730.3693 2064.0048 1962.4551 119.4048 -206344.8765 18063.9912 0.0000 0.0000 34426.2062 -148978.4452 300.6526 -183404.6513 -148884.0384 300.3035 103.4925 138.7301 557987.8630 -6.5212 -6.3665 PRESSURE: 2599000 -203.668 -77.8941 30.5031 -77.8954 -236.442 -309.328 30.5042 -309.328 -103.586 GPRESSURE: 2599000 -166.728 -111.365 45.7669 -123.232 -251.26 -294.897 11.4586 -335.119 -38.6955 PRESSAVG: 2599000 39.031 -9.65423 32.8709 -9.65432 7.84467 -16.6501 32.8708 -16.6501 -10.6118 GPRESSAVG: 2599000 39.4216 -10.7717 33.9008 -9.33379 7.30891 -16.9237 30.3912 -17.0912 -10.3834 TIMING: 2599000 CPU: 7531.49, 0.0028823/step Wall: 7531.49, 0.00288229/step, 1.92233 hours remaining, 210.324219 MB of memory in use. ENERGY: 2599000 771.5845 2103.7775 1958.1387 116.3920 -205896.7207 17613.3711 0.0000 0.0000 34355.3936 -148978.0633 300.0342 -183333.4569 -148882.0813 300.7056 -181.2321 -152.2278 560517.5743 12.0880 12.1157 PRESSURE: 2599200 150.558 -183.942 -84.9972 -183.943 -87.8789 196.786 -84.9969 196.789 -39.9343 GPRESSURE: 2599200 159.94 -165.644 -193.237 -127.955 1.26708 198.281 -100.639 277.274 -42.4656 PRESSAVG: 2599200 48.7781 -36.1753 -30.0564 -36.1752 -51.8342 25.5346 -30.0564 25.5347 -19.7221 GPRESSAVG: 2599200 49.0189 -34.3258 -27.9843 -35.6795 -50.9725 26.0113 -30.4729 26.3609 -21.7018 TIMING: 2599200 CPU: 7532.07, 0.00288793/step Wall: 7532.07, 0.00288793/step, 1.92593 hours remaining, 210.324219 MB of memory in use. ENERGY: 2599200 750.2846 2153.0248 1936.0079 106.7814 -206402.8161 18074.4972 0.0000 0.0000 34502.4551 -148879.7651 301.3185 -183382.2202 -148777.7558 300.4865 7.5815 39.5804 558254.5823 -7.5927 -7.8851 PRESSURE: 2599400 16.0107 -19.4646 4.32141 -19.4656 -123.085 -93.8454 4.32081 -93.8439 -83.7791 GPRESSURE: 2599400 61.2486 20.9013 -21.7267 -96.0742 -96.409 -100.803 -7.81056 -66.3234 -54.9994 PRESSAVG: 2599400 14.807 15.1419 -8.04856 15.1419 51.9076 -22.4804 -8.04854 -22.4802 -54.877 GPRESSAVG: 2599400 12.5265 15.6437 -9.60515 14.798 50.7917 -21.7377 -6.82057 -22.2736 -51.9542 TIMING: 2599400 CPU: 7532.65, 0.00288846/step Wall: 7532.65, 0.00288846/step, 1.92612 hours remaining, 210.324219 MB of memory in use. ENERGY: 2599400 746.7046 2076.1773 1946.0434 127.6343 -205826.8724 17804.7194 0.0000 0.0000 34270.8345 -148854.7590 299.2957 -183125.5935 -148756.4456 300.4342 -63.6176 -30.0533 560227.3948 3.9459 3.7880 PRESSURE: 2599600 77.5586 -37.4769 -15.9533 -37.4763 130.849 -104.983 -15.9528 -104.983 64.6692 GPRESSURE: 2599600 88.6958 -133.393 -12.4627 14.1134 229.186 -140.483 -47.7681 -106.49 44.7977 PRESSAVG: 2599600 -26.1225 -10.5805 -26.9836 -10.5805 40.2546 -38.8981 -26.9836 -38.8981 -56.1324 GPRESSAVG: 2599600 -25.3476 -12.0069 -26.5292 -9.6345 42.0115 -39.6055 -25.5576 -36.624 -58.5698 TIMING: 2599600 CPU: 7533.22, 0.00289043/step Wall: 7533.22, 0.00289043/step, 1.92728 hours remaining, 210.324219 MB of memory in use. ENERGY: 2599600 746.9201 2126.0156 1933.5627 106.9873 -206271.9344 18047.9544 0.0000 0.0000 34282.2958 -149028.1985 299.3958 -183310.4943 -148931.0595 299.8307 91.0257 120.8931 557628.7014 -14.0001 -13.9686 PRESSURE: 2599800 36.1967 102.158 12.9905 102.157 80.8035 -47.8336 12.9914 -47.8348 290.757 GPRESSURE: 2599800 33.688 103.848 47.1616 152.752 138.897 -52.3291 -10.2507 -39.8198 326.343 PRESSAVG: 2599800 -60.6569 71.4739 -1.10708 71.4739 30.8095 25.6966 -1.10706 25.6966 27.0052 GPRESSAVG: 2599800 -59.9968 72.8326 -0.887873 70.2195 29.7754 26.4835 -4.01522 24.4571 27.4094 TIMING: 2599800 CPU: 7533.8, 0.00289149/step Wall: 7533.8, 0.00289149/step, 1.92782 hours remaining, 210.324219 MB of memory in use. ENERGY: 2599800 745.6566 2113.6327 1955.1060 115.7214 -206268.8018 17947.3152 0.0000 0.0000 34223.7075 -149167.6623 298.8841 -183391.3698 -149077.0686 299.4358 135.9191 166.3093 555093.7481 -0.9474 -0.9374 PRESSURE: 2600000 268.797 53.7303 -40.6607 53.7309 41.7867 87.9069 -40.6607 87.9071 -113.083 GPRESSURE: 2600000 212.313 79.681 -48.227 25.3163 117.111 25.9057 -25.6671 62.9823 -37.3457 PRESSAVG: 2600000 0.434739 103.303 2.58646 103.303 -22.0089 69.9632 2.58648 69.9633 -21.3597 GPRESSAVG: 2600000 0.93028 102.964 2.55537 102.716 -21.7266 68.8643 4.25078 70.5655 -22.1702 TIMING: 2600000 CPU: 7534.38, 0.00289987/step Wall: 7534.38, 0.00289987/step, 1.93324 hours remaining, 210.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2600000 748.3859 2074.6796 1944.8504 112.3708 -206149.2128 17833.2413 0.0000 0.0000 34532.4251 -148903.2598 301.5803 -183435.6848 -148800.7907 299.7609 65.8338 97.3594 557913.1825 -14.3113 -14.3222 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2600000 WRITING COORDINATES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2600200 -259.75 -11.2775 -43.616 -11.2775 -187.313 3.52601 -43.6167 3.52628 86.8932 GPRESSURE: 2600200 -251.001 -24.8643 -142.108 -20.7903 -135.715 -15.2143 -20.286 -12.2605 122.229 PRESSAVG: 2600200 -44.1196 3.22702 -21.9506 3.22706 18.0049 25.1664 -21.9506 25.1665 76.1993 GPRESSAVG: 2600200 -44.8148 2.66363 -22.455 5.8456 19.1278 27.832 -21.5781 24.1838 76.2421 TIMING: 2600200 CPU: 7535.15, 0.00386328/step Wall: 7535.15, 0.00386328/step, 2.5753 hours remaining, 210.449219 MB of memory in use. ENERGY: 2600200 749.7011 2136.3509 1947.8965 126.1457 -205767.4724 17415.1006 0.0000 0.0000 34312.4047 -149079.8728 299.6588 -183392.2776 -148979.5506 300.5824 -120.0566 -88.1623 557915.9048 16.6949 16.8517 LDB: ============= START OF LOAD BALANCING ============== 7538.54 LDB: ============== END OF LOAD BALANCING =============== 7538.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7538.54 LDB: ============= START OF LOAD BALANCING ============== 7538.83 LDB: Largest compute 4800 load 0.025217 is 21.4% of average load 0.117897 LDB: Average compute 0.001736 is 1.5% of average load 0.117897 LDB: TIME 7538.83 LOAD: AVG 0.117897 MAX 0.179071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.125 MB LDB: TIME 7538.83 LOAD: AVG 0.117897 MAX 0.179071 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.367 MB LDB: TIME 7538.83 LOAD: AVG 0.117897 MAX 0.179071 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.367 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7538.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7538.84 PRESSURE: 2600400 -83.0863 154.417 24.2844 154.417 -121.526 203.238 24.2845 203.238 34.4504 GPRESSURE: 2600400 -22.5062 143.207 43.1928 176.378 -72.5135 300.787 56.2008 131.12 30.7865 PRESSAVG: 2600400 11.2803 2.39997 -46.8414 2.39994 18.0042 4.64526 -46.8414 4.64519 17.5905 GPRESSAVG: 2600400 11.2971 2.08738 -47.1017 1.21492 17.1841 4.38873 -47.3686 3.75527 18.6514 TIMING: 2600400 CPU: 7535.74, 0.00293373/step Wall: 7535.74, 0.00293373/step, 1.9555 hours remaining, 208.621094 MB of memory in use. ENERGY: 2600400 762.9002 2037.5937 1950.0789 125.5756 -206293.9760 17902.9981 0.0000 0.0000 34512.1051 -149002.7245 301.4028 -183514.8296 -148908.7466 299.9252 -56.7206 -21.4111 557956.6818 15.6250 15.7109 PRESSURE: 2600600 -72.4572 70.4364 -62.7739 70.4365 -54.4425 90.3087 -62.7744 90.3094 -297.23 GPRESSURE: 2600600 -0.264949 27.8222 -51.3764 147.054 -20.3535 51.1923 -95.9606 160.953 -297.791 PRESSAVG: 2600600 -10.8292 12.1002 -6.02108 12.1002 -6.09405 77.8027 -6.02102 77.8028 29.5143 GPRESSAVG: 2600600 -9.88698 12.5742 -6.07386 11.4431 -4.98918 75.6695 -4.92765 80.1523 28.0836 TIMING: 2600600 CPU: 7536.32, 0.00288411/step Wall: 7536.32, 0.00288411/step, 1.92226 hours remaining, 208.621094 MB of memory in use. ENERGY: 2600600 806.0467 2127.9200 1943.3979 117.8577 -206041.2196 17602.2031 0.0000 0.0000 34354.6272 -149089.1671 300.0275 -183443.7942 -148990.2819 300.3732 -141.3766 -106.1363 558799.9564 4.1970 4.4025 PRESSURE: 2600800 -286.264 -172.936 53.9039 -172.936 -227.938 112.537 53.903 112.537 200.271 GPRESSURE: 2600800 -239.394 -184.447 51.5521 -160.017 -167.687 141.994 64.916 43.1784 188.23 PRESSAVG: 2600800 -49.715 2.06942 30.332 2.06936 2.50675 27.3919 30.332 27.3917 23.0464 GPRESSAVG: 2600800 -50.1844 -0.269619 31.1461 4.14881 2.10044 29.0152 28.6161 25.0546 23.7922 TIMING: 2600800 CPU: 7536.9, 0.00288963/step Wall: 7536.9, 0.00288963/step, 1.92577 hours remaining, 208.621094 MB of memory in use. ENERGY: 2600800 763.6430 2083.8751 1939.9527 117.9701 -206340.3119 17898.3293 0.0000 0.0000 34380.3760 -149156.1657 300.2524 -183536.5417 -149055.6642 299.0726 -104.6439 -72.9504 559287.3166 -8.0540 -8.0972 PRESSURE: 2601000 81.1845 233.173 37.1914 233.173 -226.626 68.4573 37.1909 68.4587 69.157 GPRESSURE: 2601000 103.389 221.075 114.44 185.45 -190.882 79.0663 -14.9571 24.0901 103.359 PRESSAVG: 2601000 4.92461 53.0387 -41.4015 53.0387 -64.6064 -19.4066 -41.4015 -19.4067 0.880739 GPRESSAVG: 2601000 4.82294 55.0698 -42.6157 51.2309 -65.1191 -21.0103 -41.38 -17.8527 1.04155 TIMING: 2601000 CPU: 7537.47, 0.0028815/step Wall: 7537.47, 0.0028815/step, 1.9202 hours remaining, 208.621094 MB of memory in use. ENERGY: 2601000 779.5073 2055.4169 1970.3455 104.0763 -206237.8529 17897.7056 0.0000 0.0000 34248.7098 -149182.0916 299.1025 -183430.8014 -149089.6374 299.5142 -25.4283 5.2887 558037.8037 -19.6003 -19.7515 PRESSURE: 2601200 119.878 93.4403 -34.4738 93.4384 10.1818 26.1913 -34.4742 26.1923 -80.1037 GPRESSURE: 2601200 158.896 4.1186 -2.37166 216.287 18.2228 125.006 -56.1399 -32.9424 -23.818 PRESSAVG: 2601200 32.5034 26.3846 39.8107 26.3847 22.3176 11.4084 39.8106 11.4083 -31.1358 GPRESSAVG: 2601200 34.9081 25.0023 41.5515 26.5107 21.3183 12.8948 41.1415 10.349 -31.8657 TIMING: 2601200 CPU: 7538.05, 0.00288426/step Wall: 7538.05, 0.00288426/step, 1.92188 hours remaining, 208.621094 MB of memory in use. ENERGY: 2601200 755.5321 2151.9851 1928.3590 105.8355 -206495.9230 17897.3105 0.0000 0.0000 34444.7636 -149212.1372 300.8147 -183656.9008 -149113.7113 299.5052 16.6522 51.1003 557002.9366 7.8951 8.1202 PRESSURE: 2601400 66.9225 -41.0504 -94.6762 -41.0499 168.779 -139.214 -94.6763 -139.214 85.142 GPRESSURE: 2601400 107.349 -52.4623 -95.2649 -37.4519 263.503 -148.618 -103.812 -152.892 57.457 PRESSAVG: 2601400 -65.4266 -17.5543 4.77188 -17.5544 22.3075 13.7778 4.77181 13.7778 7.50292 GPRESSAVG: 2601400 -66.9048 -16.7312 4.16957 -17.8005 24.066 12.2971 3.44105 13.8495 7.25532 TIMING: 2601400 CPU: 7538.63, 0.00289289/step Wall: 7538.63, 0.00289289/step, 1.92747 hours remaining, 208.621094 MB of memory in use. ENERGY: 2601400 717.5412 2094.7929 1936.8449 121.4804 -206280.0141 17920.0342 0.0000 0.0000 34395.2203 -149094.1001 300.3820 -183489.3204 -148996.1465 299.0878 106.9479 142.7696 556188.7591 -11.8721 -11.8612 PRESSURE: 2601600 -140.641 -15.3764 -10.3238 -15.3762 -48.8201 126.167 -10.324 126.167 -260.399 GPRESSURE: 2601600 -111.269 5.41073 -9.3417 -83.5407 -66.2106 205.161 -61.0617 -7.52345 -173.168 PRESSAVG: 2601600 -10.7441 -13.0144 23.3821 -13.0144 -10.5767 -46.1736 23.3821 -46.1736 32.9111 GPRESSAVG: 2601600 -11.6781 -13.1042 26.0758 -12.0123 -11.6493 -44.6035 21.4297 -47.5507 34.8759 TIMING: 2601600 CPU: 7539.21, 0.00289748/step Wall: 7539.21, 0.00289748/step, 1.93036 hours remaining, 208.621094 MB of memory in use. ENERGY: 2601600 740.9237 2154.6174 1958.0735 118.7004 -205702.6799 17636.9008 0.0000 0.0000 34114.7375 -148978.7265 297.9325 -183093.4640 -148874.5333 299.8672 -149.9535 -116.8827 558859.7291 3.8634 3.8495 PRESSURE: 2601800 -84.9754 -6.33768 -144.779 -6.33718 -135.732 30.4017 -144.778 30.4003 -192.191 GPRESSURE: 2601800 -48.7498 -82.0659 -191.161 58.6324 -128.45 -42.8302 -164.884 65.0378 -158.576 PRESSAVG: 2601800 80.3515 -32.5164 -5.28646 -32.5164 -1.78139 -14.1295 -5.28646 -14.1294 -42.2314 GPRESSAVG: 2601800 79.4985 -32.2982 -6.63991 -33.4541 -0.561461 -16.5055 -4.78747 -11.9879 -42.4033 TIMING: 2601800 CPU: 7539.79, 0.00289182/step Wall: 7539.79, 0.00289182/step, 1.92643 hours remaining, 208.621094 MB of memory in use. ENERGY: 2601800 723.3006 2123.8067 1963.6793 120.9471 -205878.3700 17617.1676 0.0000 0.0000 34297.6848 -149031.7840 299.5302 -183329.4688 -148935.0981 299.0952 -137.6330 -111.9253 559012.7692 12.1129 12.1779 PRESSURE: 2602000 75.2899 137.698 53.3629 137.698 137.857 207.932 53.363 207.932 52.2131 GPRESSURE: 2602000 76.1665 108.422 22.8326 143.836 146.419 356.553 33.7407 80.689 143.139 PRESSAVG: 2602000 -20.3704 -2.70951 -42.0817 -2.70958 -24.9519 63.8805 -42.0817 63.8806 57.2978 GPRESSAVG: 2602000 -20.104 -3.23355 -42.9836 -2.77028 -26.3598 66.478 -43.3366 64.5001 57.8441 TIMING: 2602000 CPU: 7540.37, 0.00289826/step Wall: 7540.37, 0.00289826/step, 1.93057 hours remaining, 208.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2602000 756.9223 2081.7330 1967.9438 112.3087 -206266.7276 17989.8923 0.0000 0.0000 34461.1360 -148896.7916 300.9577 -183357.9276 -148800.1094 299.6999 88.4532 121.9082 557553.7518 3.9919 3.7934 PRESSURE: 2602200 145.639 -95.3353 -48.2364 -95.3346 -148.638 59.5516 -48.2368 59.551 -33.6386 GPRESSURE: 2602200 228.193 -56.6006 -98.6551 -89.7632 -164.944 -2.99879 -0.826352 72.2508 -0.816409 PRESSAVG: 2602200 19.1894 22.0446 -31.0031 22.0446 -59.0506 44.6439 -31.0031 44.6439 77.9326 GPRESSAVG: 2602200 19.0699 22.3414 -31.526 22.5217 -57.5644 43.0806 -28.7881 43.3073 76.9185 TIMING: 2602200 CPU: 7540.95, 0.0029027/step Wall: 7540.95, 0.0029027/step, 1.93336 hours remaining, 208.621094 MB of memory in use. ENERGY: 2602200 744.5468 2242.2126 1916.5518 114.1067 -206003.9360 17628.2095 0.0000 0.0000 34207.6625 -149150.6459 298.7440 -183358.3085 -149053.2012 299.8000 -12.2123 20.8109 555100.9238 12.6904 12.8080 PRESSURE: 2602400 -107.01 81.9273 189.529 81.9282 -235.22 229.133 189.529 229.133 -149.969 GPRESSURE: 2602400 -60.1956 -33.8381 181.43 141.937 -208.758 208.313 179.472 274.416 -129.233 PRESSAVG: 2602400 -0.581623 2.89474 16.7037 2.89478 -13.4348 60.8821 16.7037 60.882 -33.7106 GPRESSAVG: 2602400 -0.272552 3.19395 15.3839 4.07363 -13.674 61.9342 15.796 58.5904 -33.9104 TIMING: 2602400 CPU: 7541.52, 0.00287364/step Wall: 7541.52, 0.00287364/step, 1.91384 hours remaining, 208.621094 MB of memory in use. ENERGY: 2602400 782.1863 2156.8265 1927.6495 115.4476 -205720.8002 17414.1237 0.0000 0.0000 34173.7951 -149150.7716 298.4483 -183324.5667 -149048.9902 299.2641 -164.0664 -132.7291 556497.7108 -15.9090 -15.9523 PRESSURE: 2602600 232.445 160.115 -159.738 160.116 139.011 54.1936 -159.739 54.1933 -239.153 GPRESSURE: 2602600 225.176 143.723 -179.87 123.087 191.079 99.7918 -121.161 82.5702 -181.635 PRESSAVG: 2602600 28.5897 17.1122 51.3184 17.1122 21.0688 41.7248 51.3184 41.7248 -8.15527 GPRESSAVG: 2602600 27.6388 15.3036 52.0485 16.4646 21.8118 40.3475 51.984 44.0494 -7.80149 TIMING: 2602600 CPU: 7542.1, 0.0028796/step Wall: 7542.1, 0.0028796/step, 1.91765 hours remaining, 208.621094 MB of memory in use. ENERGY: 2602600 754.4214 2061.3121 1939.4856 128.2943 -206344.7214 17834.6929 0.0000 0.0000 34322.6873 -149303.8278 299.7486 -183626.5151 -149211.5666 299.2295 44.1010 78.2068 556724.9548 13.8344 13.8830 PRESSURE: 2602800 -275.109 10.5851 -118.44 10.5845 -95.9464 -69.4813 -118.441 -69.481 5.88142 GPRESSURE: 2602800 -228.262 -42.9734 -155.735 -51.1632 -36.2647 -27.2036 -179.386 -164.479 -4.92639 PRESSAVG: 2602800 29.9373 0.868663 -16.2574 0.868731 -44.5488 81.4146 -16.2575 81.4146 18.8668 GPRESSAVG: 2602800 31.5632 2.20765 -16.061 0.280031 -45.1381 82.7044 -16.5042 79.5903 17.817 TIMING: 2602800 CPU: 7542.68, 0.00290432/step Wall: 7542.68, 0.00290432/step, 1.93395 hours remaining, 208.621094 MB of memory in use. ENERGY: 2602800 788.6095 2091.9197 1949.1542 100.6672 -206013.2806 17624.5796 0.0000 0.0000 34148.3780 -149309.9725 298.2263 -183458.3504 -149213.4139 299.0424 -121.7248 -89.8177 556402.2144 1.4184 1.4141 PRESSURE: 2603000 171.611 15.5164 42.7412 15.5163 304.799 -59.1684 42.7419 -59.1669 52.2094 GPRESSURE: 2603000 197.985 49.8792 174.589 79.5073 292.137 -90.9502 -61.3192 -111.354 127.78 PRESSAVG: 2603000 21.6426 -56.7982 -26.5285 -56.7982 33.0208 47.7786 -26.5285 47.7788 -14.73 GPRESSAVG: 2603000 21.395 -55.4934 -25.6935 -59.4608 32.188 46.7257 -24.6907 49.705 -13.649 TIMING: 2603000 CPU: 7543.25, 0.00287633/step Wall: 7543.25, 0.00287633/step, 1.91516 hours remaining, 208.621094 MB of memory in use. ENERGY: 2603000 755.2014 2151.3526 1964.8661 110.2491 -206747.0991 18208.2218 0.0000 0.0000 34242.2644 -149314.9437 299.0462 -183557.2080 -149219.0000 299.1856 176.2067 205.9674 556642.7851 13.3111 13.3113 PRESSURE: 2603200 -29.6129 -50.7473 40.8242 -50.7453 -72.1119 126.336 40.8249 126.336 -177.889 GPRESSURE: 2603200 40.8335 -85.4655 49.6503 14.934 -71.9422 35.2861 -2.72575 108.455 -141.991 PRESSAVG: 2603200 -43.0298 37.5701 -11.2873 37.5702 75.9652 5.42605 -11.2873 5.42598 -63.7616 GPRESSAVG: 2603200 -43.8126 36.7045 -12.8076 40.2428 75.6252 5.9548 -13.2966 4.6336 -62.6996 TIMING: 2603200 CPU: 7543.83, 0.0028703/step Wall: 7543.83, 0.0028703/step, 1.91098 hours remaining, 208.621094 MB of memory in use. ENERGY: 2603200 728.3221 2079.8373 1940.3760 112.5834 -206491.9954 17816.8050 0.0000 0.0000 34345.3101 -149468.7615 299.9461 -183814.0716 -149377.0494 298.7291 -93.2045 -57.7000 558058.1974 -10.2754 -10.2957 PRESSURE: 2603400 -36.3453 -20.4798 -9.04587 -20.4795 127.182 119.767 -9.04689 119.767 -172.288 GPRESSURE: 2603400 -48.7884 -81.8664 -27.7034 -120.889 164.641 29.5124 -61.3418 146.717 -95.3619 PRESSAVG: 2603400 -46.819 -23.0593 -46.0359 -23.0593 53.8714 61.0827 -46.036 61.0828 1.57228 GPRESSAVG: 2603400 -46.0634 -22.185 -44.6982 -23.437 53.8728 61.0301 -44.1794 60.5929 1.13875 TIMING: 2603400 CPU: 7544.4, 0.0028797/step Wall: 7544.4, 0.0028797/step, 1.91708 hours remaining, 208.621094 MB of memory in use. ENERGY: 2603400 736.4043 2093.7450 1987.0295 124.8704 -206277.8319 17835.8769 0.0000 0.0000 34137.9714 -149361.9344 298.1354 -183499.9057 -149269.5819 298.7157 -27.1503 6.8301 557202.3076 2.8749 2.9827 PRESSURE: 2603600 -6.12768 -93.9161 57.6668 -93.9168 114.475 219.676 57.668 219.677 -79.2285 GPRESSURE: 2603600 93.6133 -50.5473 79.1658 -126.146 89.2547 259.321 84.2342 193.388 -56.4853 PRESSAVG: 2603600 -46.1878 -14.3669 -47.6026 -14.3668 64.6783 16.4191 -47.6026 16.4192 -2.02205 GPRESSAVG: 2603600 -45.6613 -15.2247 -47.6085 -15.7119 64.4924 15.4426 -48.2527 17.2731 -2.15882 TIMING: 2603600 CPU: 7544.98, 0.00289339/step Wall: 7544.98, 0.00289339/step, 1.92603 hours remaining, 208.621094 MB of memory in use. ENERGY: 2603600 767.6815 2093.4274 1938.8337 98.4154 -206357.3027 17821.6695 0.0000 0.0000 34442.2050 -149195.0703 300.7923 -183637.2753 -149097.9558 298.7564 9.7063 42.1276 556810.2619 5.4895 5.5574 PRESSURE: 2603800 62.2007 -52.2713 34.4294 -52.272 63.3057 -218.918 34.4301 -218.921 79.6107 GPRESSURE: 2603800 123.088 34.0396 10.6868 -103.968 121.415 -217.879 49.5357 -130.092 66.4625 PRESSAVG: 2603800 -36.1235 -28.1803 56.5547 -28.1803 76.542 -10.9762 56.5547 -10.9762 -68.4096 GPRESSAVG: 2603800 -37.092 -28.0122 55.6577 -26.7039 76.7 -12.0671 56.3664 -9.52957 -67.5331 TIMING: 2603800 CPU: 7545.56, 0.00288357/step Wall: 7545.56, 0.00288357/step, 1.91933 hours remaining, 208.824219 MB of memory in use. ENERGY: 2603800 706.5243 2072.8964 1925.9406 113.5074 -206059.9354 17854.1443 0.0000 0.0000 34118.3907 -149268.5318 297.9644 -183386.9225 -149165.5700 298.8049 68.3724 103.6550 557128.0960 -9.3304 -9.3084 PRESSURE: 2604000 -96.9405 -11.5407 -112.155 -11.54 330.527 -90.6245 -112.154 -90.6247 189.685 GPRESSURE: 2604000 -63.7145 -37.9953 -50.974 8.10368 358.957 7.96845 -123.041 -103.753 235.737 PRESSAVG: 2604000 -30.2638 -11.784 18.9547 -11.7841 30.3425 32.0783 18.9546 32.0783 7.3213 GPRESSAVG: 2604000 -30.5291 -11.2932 19.7911 -10.864 30.8134 34.0938 19.5775 29.8825 7.21976 TIMING: 2604000 CPU: 7546.14, 0.0029004/step Wall: 7546.14, 0.0029004/step, 1.93038 hours remaining, 208.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2604000 715.7725 2108.0444 1915.1945 118.5240 -206603.4782 18088.4646 0.0000 0.0000 34328.5274 -149328.9507 299.7996 -183657.4781 -149240.0868 298.6521 141.0903 176.9932 557304.3596 2.4667 2.5014 PRESSURE: 2604200 -356.058 -137.222 -9.91519 -137.223 -73.2088 -123.628 -9.91625 -123.629 -35.5423 GPRESSURE: 2604200 -389.182 -104.329 -20.1198 -171.746 -48.2574 -116.934 39.7249 -124.961 64.2406 PRESSAVG: 2604200 -40.6185 26.9898 -44.557 26.9897 -18.3169 2.97918 -44.557 2.9794 26.4435 GPRESSAVG: 2604200 -39.981 26.9552 -44.8604 26.2276 -17.894 3.7742 -45.387 2.094 24.9099 TIMING: 2604200 CPU: 7546.72, 0.00290122/step Wall: 7546.72, 0.00290122/step, 1.93076 hours remaining, 208.824219 MB of memory in use. ENERGY: 2604200 794.0238 1995.7886 1929.3111 112.9816 -205912.6264 17668.6354 0.0000 0.0000 34192.8952 -149218.9908 298.6151 -183411.8860 -149125.3659 298.5796 -154.9364 -124.3994 559181.3340 -10.8307 -10.9884 LDB: ============= START OF LOAD BALANCING ============== 7550.1 LDB: ============== END OF LOAD BALANCING =============== 7550.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7550.1 LDB: ============= START OF LOAD BALANCING ============== 7550.39 LDB: Largest compute 4800 load 0.025022 is 21.2% of average load 0.117925 LDB: Average compute 0.001741 is 1.5% of average load 0.117925 LDB: TIME 7550.4 LOAD: AVG 0.117925 MAX 0.180491 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.426 MB LDB: TIME 7550.4 LOAD: AVG 0.117925 MAX 0.180491 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.434 MB LDB: TIME 7550.4 LOAD: AVG 0.117925 MAX 0.180491 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.434 MB LDB: ============== END OF LOAD BALANCING =============== 7550.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7550.4 PRESSURE: 2604400 -196.201 -3.68595 -0.831168 -3.68602 -278.462 -200.525 -0.829993 -200.526 -135.377 GPRESSURE: 2604400 -176.789 -95.0824 20.5051 -6.54314 -214.82 -105.356 32.8967 -210.406 -117.489 PRESSAVG: 2604400 67.321 30.146 17.312 30.146 -47.9577 -79.9042 17.3121 -79.9041 -10.0086 GPRESSAVG: 2604400 67.786 27.8757 17.2987 30.7996 -49.758 -81.1232 17.3924 -77.3528 -8.62586 TIMING: 2604400 CPU: 7547.31, 0.00293602/step Wall: 7547.31, 0.00293602/step, 1.95376 hours remaining, 208.210938 MB of memory in use. ENERGY: 2604400 736.8230 2099.4127 1932.0631 117.0049 -205972.7224 17603.9302 0.0000 0.0000 34401.3052 -149082.1833 300.4352 -183483.4885 -148988.1727 299.4159 -203.3466 -169.6995 558518.6009 3.1182 3.1340 PRESSURE: 2604600 118.665 -5.71171 -88.229 -5.71165 -178.399 29.3996 -88.228 29.3991 51.9415 GPRESSURE: 2604600 116.746 89.6329 -1.01656 -101.91 -99.7368 16.2582 -180.555 -21.5349 59.8631 PRESSAVG: 2604600 39.8873 -44.5046 21.503 -44.5045 1.52337 17.0902 21.5031 17.0901 4.87437 GPRESSAVG: 2604600 39.301 -40.2727 22.7334 -47.3446 3.1712 16.6487 22.3207 17.8106 3.56534 TIMING: 2604600 CPU: 7547.89, 0.00289637/step Wall: 7547.89, 0.00289637/step, 1.92721 hours remaining, 208.414062 MB of memory in use. ENERGY: 2604600 772.2770 2082.9393 1952.2995 115.3018 -205839.8838 17728.2064 0.0000 0.0000 34250.2108 -148938.6490 299.1156 -183188.8598 -148846.0204 299.7717 -2.5975 25.6241 557458.4733 15.4284 15.3458 PRESSURE: 2604800 5.14087 -245.084 -14.517 -245.085 135.642 50.3866 -14.5175 50.3875 -41.6043 GPRESSURE: 2604800 59.4076 -171.425 70.695 -221.216 132.468 13.1653 -30.7632 44.8687 -2.98036 PRESSAVG: 2604800 6.56274 -61.5124 4.95007 -61.5125 -28.2987 -26.5316 4.9501 -26.5317 12.6497 GPRESSAVG: 2604800 6.714 -64.2678 5.09249 -58.9322 -29.8144 -28.8234 4.31642 -27.2913 14.028 TIMING: 2604800 CPU: 7548.46, 0.00289236/step Wall: 7548.46, 0.00289236/step, 1.92438 hours remaining, 208.414062 MB of memory in use. ENERGY: 2604800 760.6747 2119.0196 1968.1575 118.8569 -206132.5771 17772.7175 0.0000 0.0000 34308.7715 -149084.3794 299.6270 -183393.1509 -148986.9721 299.5664 33.0597 62.9652 556580.1935 -3.0288 -3.0241 PRESSURE: 2605000 -238.345 116.913 -0.671411 116.914 73.1259 -96.7171 -0.670452 -96.7179 -238.156 GPRESSURE: 2605000 -250.792 138.597 15.1221 95.6135 112.356 -135.336 -9.96799 -37.8775 -166.408 PRESSAVG: 2605000 32.0756 46.8729 1.62609 46.873 -62.7139 -15.0201 1.6261 -15.0201 29.5086 GPRESSAVG: 2605000 31.0746 46.787 0.256408 46.9966 -61.7404 -12.7304 1.16046 -14.7124 29.2653 TIMING: 2605000 CPU: 7549.04, 0.00289293/step Wall: 7549.04, 0.00289293/step, 1.9246 hours remaining, 208.414062 MB of memory in use. ENERGY: 2605000 763.9749 2081.0356 1948.6628 112.1236 -206019.0194 17752.2585 0.0000 0.0000 34231.9555 -149129.0086 298.9562 -183360.9641 -149028.6336 299.6198 -134.4585 -101.6148 558489.2720 -0.3766 -0.4668 PRESSURE: 2605200 -256.192 180.714 111.415 180.713 28.0023 38.2289 111.416 38.2277 137.107 GPRESSURE: 2605200 -163.885 181.876 113.012 152.362 39.4227 114.084 97.9597 5.89303 129.753 PRESSAVG: 2605200 27.0021 48.8255 41.0687 48.8255 -16.8567 2.39825 41.0687 2.39821 2.41134 GPRESSAVG: 2605200 28.8307 51.7848 41.1464 47.2227 -18.1329 2.352 42.8098 2.00897 1.96626 TIMING: 2605200 CPU: 7549.62, 0.00289318/step Wall: 7549.62, 0.00289318/step, 1.92461 hours remaining, 208.414062 MB of memory in use. ENERGY: 2605200 740.9218 2065.7515 1959.1965 116.1153 -206056.2500 17795.8415 0.0000 0.0000 34451.8091 -148926.6143 300.8762 -183378.4234 -148834.7593 299.5820 -30.3607 1.7638 557111.2190 4.1856 4.2214 PRESSURE: 2605400 -212.177 114.716 -33.4603 114.716 -230.452 98.6876 -33.4605 98.6859 300.261 GPRESSURE: 2605400 -190.693 199.043 -80.2096 61.0244 -190.044 87.7251 -14.121 60.0767 333.672 PRESSAVG: 2605400 -45.4042 66.4634 14.4893 66.4634 23.4678 -0.465207 14.4891 -0.46527 -10.7651 GPRESSAVG: 2605400 -46.2986 65.2529 15.4318 66.4133 24.1402 0.67211 13.8997 -1.08301 -10.7114 TIMING: 2605400 CPU: 7550.21, 0.00292367/step Wall: 7550.21, 0.00292367/step, 1.94473 hours remaining, 208.414062 MB of memory in use. ENERGY: 2605400 774.5431 2049.6905 1947.8741 118.2228 -206007.8610 17791.2451 0.0000 0.0000 34355.8784 -148970.4070 300.0384 -183326.2855 -148876.2677 299.8934 -47.4557 -15.6884 558642.2513 -10.9005 -10.9566 PRESSURE: 2605600 -82.0945 70.2453 -20.8123 70.2443 229.538 91.0391 -20.8121 91.0381 -105.738 GPRESSURE: 2605600 -50.9042 50.8995 0.571112 55.5288 260.485 81.4121 -57.3948 160.044 -80.8309 PRESSAVG: 2605600 -14.5954 47.9705 103.857 47.9705 28.6405 42.0755 103.857 42.0755 20.2834 GPRESSAVG: 2605600 -15.0919 46.6633 103.288 48.1575 28.997 38.2991 103.081 43.8413 19.953 TIMING: 2605600 CPU: 7550.79, 0.00290911/step Wall: 7550.79, 0.00290911/step, 1.93488 hours remaining, 208.414062 MB of memory in use. ENERGY: 2605600 754.7913 2029.9389 1960.6778 100.0292 -206051.9188 17827.4498 0.0000 0.0000 34171.0694 -149207.9623 298.4244 -183379.0317 -149102.4170 299.8691 13.9018 42.9167 557713.1830 11.4429 11.2860 PRESSURE: 2605800 -102.073 -14.8483 -31.343 -14.8473 81.7584 81.604 -31.3423 81.6048 3.43163 GPRESSURE: 2605800 -117.825 21.2802 -30.0407 -31.5476 148.046 168.67 -37.5374 6.43723 60.4169 PRESSAVG: 2605800 -20.11 51.9303 1.11123 51.9302 -13.5921 74.2236 1.11118 74.2236 -2.95189 GPRESSAVG: 2605800 -19.7656 51.8552 1.66191 52.1704 -14.5904 77.2406 -0.616471 72.843 -2.10829 TIMING: 2605800 CPU: 7551.37, 0.00290078/step Wall: 7551.37, 0.00290078/step, 1.92918 hours remaining, 208.414062 MB of memory in use. ENERGY: 2605800 727.4166 2037.6210 1938.1455 110.2202 -206146.9740 17818.8851 0.0000 0.0000 34411.9035 -149102.7821 300.5277 -183514.6856 -149005.9624 299.1435 -5.6275 30.2126 558534.4039 -12.2180 -12.1547 PRESSURE: 2606000 -249.493 41.4167 105.882 41.4173 16.3155 111.986 105.881 111.986 -86.2991 GPRESSURE: 2606000 -161.091 17.1744 78.4714 53.9082 -3.3417 115.622 46.915 82.6756 -41.9095 PRESSAVG: 2606000 37.2214 -14.8608 0.135472 -14.8608 -34.2335 16.7559 0.135454 16.7559 2.18104 GPRESSAVG: 2606000 36.6548 -13.8963 0.946128 -13.9165 -33.7313 16.7559 0.668167 16.0431 1.64185 TIMING: 2606000 CPU: 7551.95, 0.00289148/step Wall: 7551.95, 0.00289148/step, 1.92283 hours remaining, 208.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2606000 722.5076 2062.3072 1926.1594 109.7090 -205825.9888 17553.0538 0.0000 0.0000 34246.1240 -149206.1277 299.0799 -183452.2518 -149109.7610 299.0516 -106.4923 -68.7809 556365.4719 1.7230 1.5218 PRESSURE: 2606200 165.022 43.1436 -34.4878 43.1424 274.992 77.6509 -34.4888 77.651 1.76613 GPRESSURE: 2606200 196.154 103.325 -6.69725 30.4817 348.146 101.642 14.4558 91.1089 -8.40512 PRESSAVG: 2606200 -39.9969 26.8141 11.8989 26.814 15.9529 29.1331 11.8988 29.133 42.8708 GPRESSAVG: 2606200 -40.0801 25.8294 11.1973 25.7195 16.118 28.665 14.8247 28.2964 42.8267 TIMING: 2606200 CPU: 7552.53, 0.00289941/step Wall: 7552.53, 0.00289941/step, 1.92795 hours remaining, 208.414062 MB of memory in use. ENERGY: 2606200 694.0067 2071.8559 1936.8881 115.9183 -206017.2339 17802.6403 0.0000 0.0000 34409.9849 -148985.9396 300.5110 -183395.9246 -148887.4823 298.7670 147.2599 178.6318 557117.3781 6.2756 6.2882 PRESSURE: 2606400 -180.749 -27.3394 -38.1743 -27.3402 -106.788 21.5726 -38.1738 21.5719 -270.044 GPRESSURE: 2606400 -172.484 -98.0752 -20.0365 -13.2757 -44.1762 54.7323 -58.0621 -72.3733 -245.415 PRESSAVG: 2606400 -29.9641 -7.92791 -1.3875 -7.92801 49.6523 -17.962 -1.38757 -17.962 -43.3114 GPRESSAVG: 2606400 -30.6441 -7.66807 -3.80878 -7.16699 50.1634 -20.1037 -1.87376 -17.8058 -43.1229 TIMING: 2606400 CPU: 7553.11, 0.0029039/step Wall: 7553.11, 0.0029039/step, 1.93077 hours remaining, 208.414062 MB of memory in use. ENERGY: 2606400 754.5694 2059.9476 1937.3827 110.9481 -206014.2060 17573.2675 0.0000 0.0000 34611.8374 -148966.2532 302.2738 -183578.0906 -148865.8181 299.9136 -185.8603 -154.0251 559083.8885 -7.8744 -7.8679 PRESSURE: 2606600 126.523 -82.7064 -87.162 -82.7063 -155.333 87.667 -87.1616 87.6661 -21.2235 GPRESSURE: 2606600 141.97 -59.7302 -159.933 -60.8389 -96.7638 103.87 -111.771 94.6028 4.48436 PRESSAVG: 2606600 1.57869 19.3529 -15.5049 19.3529 -56.9982 -24.9249 -15.5049 -24.9248 30.3968 GPRESSAVG: 2606600 2.08187 18.0045 -13.1639 19.1964 -57.2163 -22.4655 -17.9617 -23.429 30.201 TIMING: 2606600 CPU: 7553.68, 0.00288415/step Wall: 7553.68, 0.00288415/step, 1.91748 hours remaining, 208.414062 MB of memory in use. ENERGY: 2606600 748.4471 2138.6506 1970.8554 112.9554 -205965.2763 17954.4203 0.0000 0.0000 34132.3538 -148907.5936 298.0863 -183039.9474 -148811.8628 299.8803 -16.6777 16.5634 559093.5174 -8.3409 -8.3112 PRESSURE: 2606800 33.6999 167.754 2.73511 167.752 -41.2625 61.0575 2.73579 61.0578 94.2506 GPRESSURE: 2606800 93.4915 114.616 36.0602 176.586 32.1461 52.3275 43.3913 91.9394 52.405 PRESSAVG: 2606800 51.151 -22.2473 1.69925 -22.2473 -18.3819 36.3776 1.69933 36.3775 -1.97497 GPRESSAVG: 2606800 51.8649 -21.992 2.15015 -22.9204 -18.5157 36.2743 1.64137 36.9749 -2.18591 TIMING: 2606800 CPU: 7554.26, 0.00287445/step Wall: 7554.26, 0.00287445/step, 1.91087 hours remaining, 208.414062 MB of memory in use. ENERGY: 2606800 764.1238 2078.0994 1959.1998 115.7839 -205824.7376 17717.9980 0.0000 0.0000 34354.9524 -148834.5801 300.0303 -183189.5325 -148740.1020 300.1579 28.8960 59.3476 557650.5438 10.2647 10.3878 PRESSURE: 2607000 110.555 -153.955 29.2271 -153.955 161.175 -88.9478 29.228 -88.9475 -85.9232 GPRESSURE: 2607000 135.151 -185.347 143.577 -173.6 169.026 -69.7609 -77.9411 -101.869 -34.563 PRESSAVG: 2607000 -10.9943 -28.7319 31.0269 -28.732 51.8478 -8.69738 31.027 -8.69728 -20.5544 GPRESSAVG: 2607000 -11.5414 -26.943 29.2317 -29.3677 52.0057 -8.92757 32.4612 -11.7108 -20.0868 TIMING: 2607000 CPU: 7554.84, 0.00288858/step Wall: 7554.84, 0.00288858/step, 1.9201 hours remaining, 208.414062 MB of memory in use. ENERGY: 2607000 716.4224 2129.9798 1934.2077 102.1582 -205772.4470 17681.3893 0.0000 0.0000 34499.8260 -148708.4634 301.2956 -183208.2895 -148615.0206 300.3302 61.9356 89.8713 559373.6100 6.7664 6.7925 PRESSURE: 2607200 -17.0844 7.14029 -66.8431 7.13983 -100.508 3.41901 -66.8427 3.42047 86.2626 GPRESSURE: 2607200 20.2994 -0.822229 -74.7641 18.4663 -67.9002 20.2445 -54.117 28.7075 113.204 PRESSAVG: 2607200 52.3936 -9.33148 34.1975 -9.33158 -36.448 -60.2387 34.1975 -60.2387 32.2826 GPRESSAVG: 2607200 51.9005 -10.7813 35.1513 -9.31845 -36.0976 -60.8228 33.6109 -58.7638 32.5606 TIMING: 2607200 CPU: 7555.41, 0.00288534/step Wall: 7555.41, 0.00288534/step, 1.91779 hours remaining, 208.414062 MB of memory in use. ENERGY: 2607200 735.3730 2074.4015 1922.2297 115.9922 -205396.9524 17559.9721 0.0000 0.0000 34301.6369 -148687.3469 299.5647 -182988.9838 -148585.8744 300.5396 -10.4433 21.8678 559496.8696 16.0761 16.1212 PRESSURE: 2607400 54.9807 79.5561 211.937 79.5563 75.8386 60.4041 211.936 60.4034 283.971 GPRESSURE: 2607400 80.2156 64.913 128.242 167.218 131.389 57.6314 206.955 4.8021 309.5 PRESSAVG: 2607400 -43.0727 -34.8389 -8.72453 -34.839 -12.8089 28.2895 -8.72446 28.2894 46.2208 GPRESSAVG: 2607400 -42.8643 -35.0151 -8.13844 -33.5858 -13.6986 30.7197 -9.97631 26.7729 47.2948 TIMING: 2607400 CPU: 7555.99, 0.00289459/step Wall: 7555.99, 0.00289459/step, 1.92378 hours remaining, 208.414062 MB of memory in use. ENERGY: 2607400 765.3430 2100.0211 1935.5623 113.5170 -206129.7507 17993.7641 0.0000 0.0000 34471.5986 -148749.9445 301.0490 -183221.5431 -148657.4435 299.8637 138.2633 173.7016 557456.6473 -3.2202 -3.0894 PRESSURE: 2607600 -93.1013 56.1361 10.0974 56.1357 -165.322 96.5259 10.0976 96.5255 62.0966 GPRESSURE: 2607600 -60.2329 94.6016 15.3416 42.1732 -160.706 126.945 -76.8433 140.088 116.564 PRESSAVG: 2607600 -12.4061 -16.6351 50.6371 -16.635 10.2786 23.094 50.637 23.0939 -28.2257 GPRESSAVG: 2607600 -12.7361 -15.2923 50.2695 -19.313 12.4027 21.7169 51.6036 24.5714 -30.2612 TIMING: 2607600 CPU: 7556.57, 0.00287879/step Wall: 7556.57, 0.00287879/step, 1.91311 hours remaining, 208.414062 MB of memory in use. ENERGY: 2607600 743.2023 2102.5804 1916.8150 113.3234 -205843.7543 17825.4120 0.0000 0.0000 34292.6681 -148849.7531 299.4864 -183142.4212 -148756.9056 299.4719 -65.4421 -34.7917 560561.3087 -10.1178 -10.1982 PRESSURE: 2607800 217.724 79.238 -104.707 79.2374 58.7455 41.3777 -104.706 41.3791 96.4278 GPRESSURE: 2607800 204.622 -23.2703 -57.1117 74.4781 83.5483 121.662 -107.314 7.3126 175.171 PRESSAVG: 2607800 25.9678 40.718 -54.987 40.718 -18.4751 48.7094 -54.9872 48.7094 16.6131 GPRESSAVG: 2607800 27.0111 40.3769 -56.2746 43.2377 -20.4432 48.8256 -55.088 48.3029 17.4275 TIMING: 2607800 CPU: 7557.15, 0.00288961/step Wall: 7557.15, 0.00288961/step, 1.92015 hours remaining, 208.414062 MB of memory in use. ENERGY: 2607800 707.7767 2049.2742 1961.4900 114.5841 -205899.2184 17822.1732 0.0000 0.0000 34421.3818 -148822.5384 300.6105 -183243.9202 -148719.7252 299.5517 124.2990 154.4470 558699.1070 8.0353 7.9984 PRESSURE: 2608000 166.912 126.348 -95.8814 126.348 17.5444 -122.526 -95.8801 -122.526 57.0167 GPRESSURE: 2608000 216.794 123.857 -63.5279 136.957 100.051 -181.129 -79.9599 -0.207653 21.9322 PRESSAVG: 2608000 -35.1311 -20.3368 -2.39023 -20.3368 -15.2066 21.1713 -2.39029 21.1713 62.9714 GPRESSAVG: 2608000 -35.8145 -18.6475 -3.26214 -20.9782 -13.761 20.6631 -0.758643 19.2763 62.3643 TIMING: 2608000 CPU: 7557.73, 0.00290007/step Wall: 7557.73, 0.00290007/step, 1.92694 hours remaining, 208.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2608000 744.7723 2092.0632 1947.5187 117.8934 -206032.8771 17890.3257 0.0000 0.0000 34455.7156 -148784.5883 300.9103 -183240.3039 -148691.1440 300.0986 80.4911 112.9256 557370.3275 4.2112 4.2630 PRESSURE: 2608200 -77.5968 -35.2242 -33.1491 -35.2235 -14.2873 -113.551 -33.1497 -113.55 92.9188 GPRESSURE: 2608200 -32.0743 0.393645 -17.6889 52.3631 6.15238 -47.6304 23.8538 -113.316 117.659 PRESSAVG: 2608200 -66.1268 49.1713 8.45281 49.1713 23.9447 -18.7238 8.45276 -18.7238 43.8565 GPRESSAVG: 2608200 -66.229 45.9115 10.1275 49.7546 23.755 -18.2256 5.87466 -17.8346 44.1978 TIMING: 2608200 CPU: 7558.3, 0.00289431/step Wall: 7558.3, 0.00289431/step, 1.92295 hours remaining, 208.414062 MB of memory in use. ENERGY: 2608200 772.0290 2147.6029 1955.7169 113.7310 -205886.0561 17844.3303 0.0000 0.0000 34434.9645 -148617.6816 300.7291 -183052.6461 -148520.3031 300.7191 0.3449 30.5790 558039.1439 0.5581 0.5746 LDB: ============= START OF LOAD BALANCING ============== 7561.69 LDB: ============== END OF LOAD BALANCING =============== 7561.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7561.69 LDB: ============= START OF LOAD BALANCING ============== 7561.98 LDB: Largest compute 4800 load 0.023617 is 20.0% of average load 0.117885 LDB: Average compute 0.001737 is 1.5% of average load 0.117885 LDB: TIME 7561.99 LOAD: AVG 0.117885 MAX 0.181091 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.75 MB LDB: TIME 7561.99 LOAD: AVG 0.117885 MAX 0.181091 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.789 MB LDB: TIME 7561.99 LOAD: AVG 0.117885 MAX 0.181091 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.789 MB LDB: ============== END OF LOAD BALANCING =============== 7561.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7561.99 PRESSURE: 2608400 -162.018 -60.9768 -51.6139 -60.9786 159.787 -103.762 -51.6142 -103.762 23.9036 GPRESSURE: 2608400 -176.836 -126.585 -127.008 -11.8579 201.795 -98.9376 -68.2031 -61.8612 83.8785 PRESSAVG: 2608400 -38.9842 42.0609 -13.5817 42.061 -0.760766 1.31685 -13.5818 1.31681 -3.06185 GPRESSAVG: 2608400 -39.3687 41.5298 -14.7728 41.6446 -0.0946208 -0.597697 -11.7946 2.17277 -3.45718 TIMING: 2608400 CPU: 7558.9, 0.00296193/step Wall: 7558.9, 0.00296193/step, 1.96771 hours remaining, 207.496094 MB of memory in use. ENERGY: 2608400 726.7382 2073.6362 1938.7784 133.9126 -205586.5588 17623.8755 0.0000 0.0000 34431.5546 -148658.0633 300.6993 -183089.6179 -148559.3125 301.5668 7.2240 36.2791 557876.8283 -14.2689 -14.3068 PRESSURE: 2608600 26.9801 -44.478 67.6968 -44.478 -309.996 61.7375 67.6973 61.7394 -29.8407 GPRESSURE: 2608600 17.1371 62.548 85.1062 -44.6277 -281.383 79.0922 117.408 62.8165 55.3448 PRESSAVG: 2608600 -74.4798 74.1481 7.06236 74.1481 25.6098 10.7883 7.06227 10.7884 43.6712 GPRESSAVG: 2608600 -75.4247 73.7506 8.45322 74.0188 25.4348 12.6792 5.44561 9.45891 44.8719 TIMING: 2608600 CPU: 7559.47, 0.00288997/step Wall: 7559.47, 0.00288997/step, 1.91974 hours remaining, 207.753906 MB of memory in use. ENERGY: 2608600 763.3977 2110.8739 1932.9240 99.3721 -205869.2562 17752.5618 0.0000 0.0000 34505.6102 -148704.5165 301.3461 -183210.1266 -148604.7661 300.7277 -104.2856 -69.6339 558981.1703 -1.7329 -1.7060 PRESSURE: 2608800 85.8893 -83.8115 167.577 -83.8115 27.1431 37.0549 167.576 37.0554 103.337 GPRESSURE: 2608800 193.283 -39.2611 172.504 -74.2534 25.6139 50.8445 124.786 -25.6897 99.665 PRESSAVG: 2608800 -44.4602 36.3421 8.98513 36.3421 39.5995 71.6826 8.9851 71.6825 14.7742 GPRESSAVG: 2608800 -42.999 37.0754 8.32489 36.3948 38.9564 70.2988 10.1755 74.1066 13.8977 TIMING: 2608800 CPU: 7560.06, 0.00290239/step Wall: 7560.06, 0.00290239/step, 1.92783 hours remaining, 207.753906 MB of memory in use. ENERGY: 2608800 729.3644 2100.8299 1929.1567 116.3702 -205936.3404 17928.3204 0.0000 0.0000 34436.3049 -148695.9939 300.7408 -183132.2988 -148606.0651 300.5466 72.1232 106.1873 558055.1560 3.3045 3.2850 PRESSURE: 2609000 41.5823 -26.7027 -148.038 -26.7025 111.593 52.7985 -148.038 52.7974 115.941 GPRESSURE: 2609000 74.8752 -72.3108 -175.352 5.32009 130.71 155.789 -139.22 -16.0974 161.861 PRESSAVG: 2609000 15.0659 18.9164 -12.9454 18.9164 10.0802 -16.7229 -12.9453 -16.7228 -7.30811 GPRESSAVG: 2609000 14.7718 18.4858 -12.0126 19.288 9.97114 -14.7704 -12.4261 -18.2923 -7.90613 TIMING: 2609000 CPU: 7560.63, 0.00288536/step Wall: 7560.63, 0.00288536/step, 1.91636 hours remaining, 207.753906 MB of memory in use. ENERGY: 2609000 733.3190 2161.7927 1939.4723 111.8464 -205995.8161 17759.5368 0.0000 0.0000 34607.7923 -148682.0566 302.2385 -183289.8490 -148578.9245 301.3369 89.7056 122.4822 557696.8929 5.9460 5.6123 PRESSURE: 2609200 54.3134 -55.1338 35.5429 -55.1361 -139.341 -98.4514 35.543 -98.4504 112.028 GPRESSURE: 2609200 76.4452 -12.4662 26.8417 -29.3946 -102.919 -70.933 92.4284 -2.67532 141.583 PRESSAVG: 2609200 38.2745 20.3616 -7.08742 20.3615 18.2287 -22.4832 -7.08743 -22.4833 -54.6472 GPRESSAVG: 2609200 37.7255 20.0399 -8.72509 19.8148 17.9599 -23.5663 -8.09101 -19.9143 -53.5918 TIMING: 2609200 CPU: 7561.21, 0.00288887/step Wall: 7561.21, 0.00288887/step, 1.91853 hours remaining, 207.753906 MB of memory in use. ENERGY: 2609200 724.2943 2088.4052 1961.2559 113.4367 -205710.2094 17629.0055 0.0000 0.0000 34365.3496 -148828.4621 300.1211 -183193.8117 -148729.1614 300.6639 9.0001 38.3696 558769.1646 0.6186 0.6979 PRESSURE: 2609400 113.739 -102.212 -36.0785 -102.212 -199.828 -101.445 -36.0793 -101.445 119.351 GPRESSURE: 2609400 179.063 -119.181 3.85819 -109.994 -205.872 -82.8924 -90.1619 -136.971 152.668 PRESSAVG: 2609400 29.0572 50.9572 11.2526 50.9572 -7.93569 -68.9507 11.2524 -68.9507 -60.1787 GPRESSAVG: 2609400 29.5783 51.6525 12.5676 50.8201 -7.06327 -68.3782 10.9962 -72.3065 -61.606 TIMING: 2609400 CPU: 7561.79, 0.00290728/step Wall: 7561.79, 0.00290728/step, 1.93059 hours remaining, 207.753906 MB of memory in use. ENERGY: 2609400 746.1994 2129.2273 1938.3168 122.3315 -205896.8392 17805.3231 0.0000 0.0000 34250.4978 -148904.9433 299.1181 -183155.4411 -148813.0995 300.1327 11.0873 41.9531 558132.0648 -13.0191 -13.0303 PRESSURE: 2609600 304.838 13.0461 -13.2814 13.0453 46.5926 90.2677 -13.2806 90.2669 140.582 GPRESSURE: 2609600 347.889 28.6839 -108.702 -11.0912 128.079 30.9147 63.9446 84.2952 118.38 PRESSAVG: 2609600 19.9393 29.9932 36.8239 29.9932 20.5446 1.86488 36.824 1.86492 -18.1267 GPRESSAVG: 2609600 19.9433 31.3254 37.4145 30.046 20.741 -0.0322533 37.3943 1.74856 -17.7113 TIMING: 2609600 CPU: 7562.38, 0.00292151/step Wall: 7562.38, 0.00292151/step, 1.93988 hours remaining, 207.753906 MB of memory in use. ENERGY: 2609600 768.9619 2137.9936 1953.2107 109.9695 -206396.3493 18043.1333 0.0000 0.0000 34539.3031 -148843.7771 301.6403 -183383.0802 -148743.8217 299.8190 164.0040 198.1161 557701.6487 7.4524 7.6577 PRESSURE: 2609800 11.6709 188.778 -75.5721 188.778 134.086 152.434 -75.5713 152.434 -161.868 GPRESSURE: 2609800 61.2923 296.759 -108.082 165.243 226.925 188.361 39.6515 62.7575 -195.446 PRESSAVG: 2609800 -18.2265 59.9133 -30.9754 59.9134 19.8961 12.8135 -30.9753 12.8136 8.69337 GPRESSAVG: 2609800 -17.9202 59.2487 -31.1071 59.7561 19.8956 14.8346 -30.7587 11.0131 8.57029 TIMING: 2609800 CPU: 7562.96, 0.00291384/step Wall: 7562.96, 0.00291384/step, 1.93463 hours remaining, 207.753906 MB of memory in use. ENERGY: 2609800 791.3103 2123.5806 1955.8205 122.3101 -206107.5974 17830.4118 0.0000 0.0000 34591.3354 -148692.8287 302.0947 -183284.1641 -148595.5139 300.2731 -5.3704 30.9240 557991.8061 3.4543 3.5152 PRESSURE: 2610000 -52.4341 -24.0813 147.251 -24.0804 89.5568 79.2278 147.251 79.2275 60.5097 GPRESSURE: 2610000 -39.1354 74.6677 112.531 -50.2156 160.824 93.4845 185.687 149.244 74.0865 PRESSAVG: 2610000 -10.1317 87.9383 21.2457 87.9383 -39.6194 26.0485 21.2456 26.0485 5.87435 GPRESSAVG: 2610000 -10.6816 87.6295 20.7973 87.4196 -39.8809 23.9153 22.1464 29.2519 5.9226 TIMING: 2610000 CPU: 7563.54, 0.0029052/step Wall: 7563.54, 0.0029052/step, 1.92873 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2610000 739.1565 2076.7000 1962.6136 114.2184 -205971.3384 17864.6583 0.0000 0.0000 34488.1741 -148725.8175 301.1938 -183213.9916 -148621.0822 300.5431 32.5442 65.2583 557333.6614 -14.6256 -14.8799 PRESSURE: 2610200 366.097 100.496 25.1746 100.496 102.639 -12.5894 25.1741 -12.5907 264.217 GPRESSURE: 2610200 388.311 114.381 32.3295 98.4226 184.103 -6.73142 -52.8597 -0.355908 259.255 PRESSAVG: 2610200 7.54558 48.7266 11.8541 48.7266 -5.77629 62.3734 11.8541 62.3735 15.2617 GPRESSAVG: 2610200 7.76501 48.7019 10.7806 47.5628 -6.08867 61.5696 12.3308 62.7678 15.1338 TIMING: 2610200 CPU: 7564.12, 0.00289974/step Wall: 7564.12, 0.00289974/step, 1.92495 hours remaining, 207.808594 MB of memory in use. ENERGY: 2610200 747.9538 2071.0117 1938.0748 101.7659 -205861.0235 17965.9501 0.0000 0.0000 34207.2483 -148829.0190 298.7404 -183036.2672 -148731.1618 300.5165 244.3177 277.2229 556497.9421 5.6770 5.6034 PRESSURE: 2610400 -7.4264 54.527 7.79958 54.5277 -117.706 51.6285 7.8003 51.6272 80.6553 GPRESSURE: 2610400 99.4753 71.1623 18.967 123.361 -128.686 124.045 -72.8695 -1.05837 73.6711 PRESSAVG: 2610400 48.1122 48.2741 1.56301 48.2741 -59.4873 29.8545 1.56306 29.8545 18.5018 GPRESSAVG: 2610400 46.6607 47.275 2.73616 48.8154 -58.6525 30.7318 -0.958615 27.5722 18.4694 TIMING: 2610400 CPU: 7564.7, 0.00289221/step Wall: 7564.7, 0.00289221/step, 1.91979 hours remaining, 207.808594 MB of memory in use. ENERGY: 2610400 750.6283 2206.0910 1941.3137 120.4864 -205886.9267 17810.3403 0.0000 0.0000 34366.0516 -148692.0153 300.1273 -183058.0670 -148593.6337 300.2028 -14.8256 14.8203 558777.4090 2.3756 2.1592 PRESSURE: 2610600 -46.6594 49.9767 -136.065 49.976 76.3924 -73.5855 -136.063 -73.5863 -188.846 GPRESSURE: 2610600 -28.1818 73.9846 -71.3873 12.769 138.883 -14.0863 -134.759 -9.45039 -168.953 PRESSAVG: 2610600 41.6987 -31.5989 -44.8123 -31.5989 -22.361 54.6604 -44.8122 54.6605 7.05275 GPRESSAVG: 2610600 42.9238 -29.7792 -45.0544 -32.4979 -23.5989 54.8597 -42.1616 54.8019 7.48517 TIMING: 2610600 CPU: 7565.28, 0.00289919/step Wall: 7565.28, 0.00289919/step, 1.92425 hours remaining, 207.808594 MB of memory in use. ENERGY: 2610600 762.1714 2139.7442 1944.5934 109.7102 -205858.8901 17794.8917 0.0000 0.0000 34458.8630 -148648.9162 300.9378 -183107.7793 -148548.8147 301.8464 -53.0376 -19.4173 558220.6001 8.7968 8.9367 PRESSURE: 2610800 12.593 -143.521 -115.378 -143.521 78.68 -91.4997 -115.378 -91.4982 27.3754 GPRESSURE: 2610800 18.7319 -171.41 -86.3481 -100.183 147.676 -124.316 -124.096 -100.711 48.9925 PRESSAVG: 2610800 -22.3504 21.0707 -40.7317 21.0707 16.5389 -56.9781 -40.7317 -56.978 44.9833 GPRESSAVG: 2610800 -22.4591 18.7923 -40.7298 23.1453 17.0959 -57.4674 -41.6105 -57.7383 44.9197 TIMING: 2610800 CPU: 7565.86, 0.00289335/step Wall: 7565.86, 0.00289335/step, 1.92022 hours remaining, 207.808594 MB of memory in use. ENERGY: 2610800 744.2966 2131.4504 1937.7392 101.2559 -205894.6072 17848.8517 0.0000 0.0000 34377.0962 -148753.9171 300.2237 -183131.0134 -148667.6349 300.3624 39.5495 71.8002 557230.8402 13.0573 13.1855 PRESSURE: 2611000 -231.829 -45.8827 31.3306 -45.8845 187.97 -144.23 31.3315 -144.229 76.3944 GPRESSURE: 2611000 -236.512 -92.8603 -20.9502 -59.1862 235.429 -125.418 82.233 -105.061 123.473 PRESSAVG: 2611000 -3.57438 -14.5732 -47.2192 -14.5732 32.0229 8.52229 -47.2192 8.5223 -16.8657 GPRESSAVG: 2611000 -3.30639 -13.2186 -47.9002 -15.4052 32.2487 8.8918 -48.7731 10.8021 -17.4141 TIMING: 2611000 CPU: 7566.44, 0.00289707/step Wall: 7566.44, 0.00289707/step, 1.92253 hours remaining, 207.808594 MB of memory in use. ENERGY: 2611000 734.5620 2120.9139 1952.5627 114.8664 -205769.2906 17643.0491 0.0000 0.0000 34474.5153 -148728.8212 301.0745 -183203.3365 -148630.0668 301.1787 10.8453 40.7965 558361.7661 3.8609 3.8427 PRESSURE: 2611200 -27.2007 56.7437 -53.6095 56.7451 -196.781 98.6387 -53.6095 98.6383 137.644 GPRESSURE: 2611200 47.6592 66.0853 -111.295 19.7401 -178.311 154.784 -81.3065 105.255 143.394 PRESSAVG: 2611200 -33.0179 3.13234 -24.6447 3.13238 -27.2418 60.5675 -24.6447 60.5676 59.2576 GPRESSAVG: 2611200 -33.2088 4.37529 -26.168 2.67821 -26.0281 61.8198 -23.4436 61.0727 58.7864 TIMING: 2611200 CPU: 7567.01, 0.00288829/step Wall: 7567.01, 0.00288829/step, 1.91654 hours remaining, 207.808594 MB of memory in use. ENERGY: 2611200 770.2010 2083.3539 1992.5192 108.4909 -205655.7675 17588.0207 0.0000 0.0000 34452.0500 -148661.1318 300.8783 -183113.1818 -148561.3488 300.4517 -28.7792 4.2475 558590.4858 -0.3340 -0.1502 PRESSURE: 2611400 175.522 -81.9351 99.6344 -81.9353 -9.6135 106.612 99.6356 106.613 -35.6586 GPRESSURE: 2611400 218.359 -94.3767 15.062 -131.024 45.9119 13.9323 184.168 162.247 -30.6635 PRESSAVG: 2611400 13.098 -8.9731 -11.6285 -8.97306 29.2052 11.3867 -11.6286 11.3867 9.00237 GPRESSAVG: 2611400 13.6425 -7.72422 -7.1724 -10.1887 28.0952 9.45275 -14.6637 11.5955 9.54178 TIMING: 2611400 CPU: 7567.59, 0.00289747/step Wall: 7567.59, 0.00289747/step, 1.92247 hours remaining, 207.808594 MB of memory in use. ENERGY: 2611400 773.8341 2069.7337 1960.4929 115.6257 -205920.9155 17770.2170 0.0000 0.0000 34562.9732 -148668.0389 301.8470 -183231.0121 -148570.0472 300.9163 43.4165 77.8692 558334.0131 17.1019 17.0931 PRESSURE: 2611600 -159.598 -41.5919 -244.377 -41.592 -84.1785 -194.532 -244.378 -194.532 -384.59 GPRESSURE: 2611600 -146.363 -43.9064 -250.896 -152.484 -91.6663 -122.399 -173.918 -230.273 -288.416 PRESSAVG: 2611600 -37.9412 -11.0568 -17.2429 -11.0568 0.90888 4.07785 -17.2429 4.07789 8.5979 GPRESSAVG: 2611600 -37.6075 -15.7423 -20.7466 -9.18226 -0.19125 5.70471 -13.3006 2.32062 9.48205 TIMING: 2611600 CPU: 7568.17, 0.00288823/step Wall: 7568.17, 0.00288823/step, 1.91618 hours remaining, 207.808594 MB of memory in use. ENERGY: 2611600 775.5064 2115.9098 1951.2137 126.7174 -206218.4111 17779.8419 0.0000 0.0000 34557.6440 -148911.5780 301.8005 -183469.2221 -148810.3563 300.6826 -209.4555 -175.4820 560297.4879 -9.4782 -9.4389 PRESSURE: 2611800 -109.333 61.9116 -58.1949 61.9115 159.126 -70.6251 -58.194 -70.6245 180.607 GPRESSURE: 2611800 -94.8416 152.664 -59.9312 77.3401 191.108 -130.749 -39.2157 -81.3673 227.551 PRESSAVG: 2611800 48.8863 23.7743 29.02 23.7742 -37.8716 -51.5553 29.02 -51.5552 -28.8895 GPRESSAVG: 2611800 47.9744 25.0841 29.9982 23.6768 -37.386 -51.0393 27.7535 -52.7176 -28.8549 TIMING: 2611800 CPU: 7568.75, 0.00288739/step Wall: 7568.75, 0.00288739/step, 1.91546 hours remaining, 207.808594 MB of memory in use. ENERGY: 2611800 762.0781 2060.9068 1959.5307 122.0562 -206011.0101 17901.9819 0.0000 0.0000 34313.1864 -148891.2701 299.6656 -183204.4565 -148792.0402 300.2630 76.7998 107.9393 558113.0327 -5.9583 -6.0889 PRESSURE: 2612000 39.6797 113.492 86.1525 113.492 -195.411 -142.938 86.154 -142.939 -73.0083 GPRESSURE: 2612000 33.767 76.0552 196.523 111.303 -126.567 -81.37 63.2576 -101.918 -35.7172 PRESSAVG: 2612000 35.4141 -26.2179 18.6975 -26.2178 -30.9796 -43.4664 18.6975 -43.4663 42.5607 GPRESSAVG: 2612000 35.1975 -23.8115 19.1256 -28.4703 -31.4574 -42.0611 18.5499 -44.6623 43.3471 TIMING: 2612000 CPU: 7569.32, 0.00287017/step Wall: 7569.32, 0.00287017/step, 1.90388 hours remaining, 207.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2612000 730.2008 2086.8395 1969.5058 109.5320 -205828.4339 17595.7218 0.0000 0.0000 34395.7356 -148940.8985 300.3865 -183336.6341 -148844.3842 300.1793 -76.2466 -42.8390 557733.8600 15.6651 15.6957 PRESSURE: 2612200 -138.38 52.5899 53.0802 52.5895 -169.664 -113.938 53.0809 -113.938 -122.697 GPRESSURE: 2612200 -88.4398 73.9353 145.275 53.1834 -185.261 -51.7532 2.28238 -122.576 -60.9428 PRESSAVG: 2612200 109.085 -26.0274 -1.81572 -26.0274 -44.5498 -12.6095 -1.81563 -12.6095 -50.9134 GPRESSAVG: 2612200 109.714 -27.9985 -2.56324 -23.3043 -44.798 -15.7334 -3.71815 -10.4751 -51.4138 TIMING: 2612200 CPU: 7569.9, 0.00287833/step Wall: 7569.9, 0.00287833/step, 1.90913 hours remaining, 207.808594 MB of memory in use. ENERGY: 2612200 741.6650 2037.1856 1964.6357 118.7749 -205712.6305 17556.1053 0.0000 0.0000 34235.1217 -149059.1423 298.9838 -183294.2640 -148964.1935 299.3665 -143.5805 -111.5478 558232.3203 4.5405 4.5009 LDB: ============= START OF LOAD BALANCING ============== 7573.28 LDB: ============== END OF LOAD BALANCING =============== 7573.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7573.28 LDB: ============= START OF LOAD BALANCING ============== 7573.57 LDB: Largest compute 4800 load 0.024929 is 21.1% of average load 0.117872 LDB: Average compute 0.001743 is 1.5% of average load 0.117872 LDB: TIME 7573.57 LOAD: AVG 0.117872 MAX 0.177618 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.516 MB LDB: TIME 7573.57 LOAD: AVG 0.117872 MAX 0.177618 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.719 MB LDB: TIME 7573.57 LOAD: AVG 0.117872 MAX 0.177618 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.719 MB LDB: ============== END OF LOAD BALANCING =============== 7573.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7573.58 PRESSURE: 2612400 -52.088 -67.9048 -91.9676 -67.906 -169.066 -10.4861 -91.9678 -10.4868 -83.9886 GPRESSURE: 2612400 -32.6338 -177.281 -48.8615 20.0232 -143.317 56.1636 -34.579 -68.7581 -44.1255 PRESSAVG: 2612400 -12.9481 -6.79139 -35.7292 -6.79137 -25.8602 32.0867 -35.7291 32.0866 12.3975 GPRESSAVG: 2612400 -11.8416 -8.03375 -37.2465 -7.99539 -25.4783 30.6878 -32.2276 32.466 10.605 TIMING: 2612400 CPU: 7570.48, 0.00292912/step Wall: 7570.48, 0.00292912/step, 1.94266 hours remaining, 210.578125 MB of memory in use. ENERGY: 2612400 699.8366 2088.4487 1950.4680 118.1515 -206115.6246 17775.1655 0.0000 0.0000 34323.6613 -149159.8930 299.7571 -183483.5543 -149063.5943 299.1618 -101.7141 -73.3588 557798.6309 -8.8036 -8.9050 PRESSURE: 2612600 78.6435 10.6899 16.1411 10.6895 9.7407 59.6303 16.141 59.6297 36.4286 GPRESSURE: 2612600 127.352 -51.8682 8.78344 -5.31416 54.8992 40.5444 -1.0283 123.523 52.4254 PRESSAVG: 2612600 18.6413 -24.5075 38.2032 -24.5075 22.4907 23.0616 38.2033 23.0616 2.34893 GPRESSAVG: 2612600 17.0446 -23.6674 39.7592 -23.5389 22.8919 22.9359 37.623 22.9504 3.79779 TIMING: 2612600 CPU: 7571.06, 0.00286259/step Wall: 7571.06, 0.00286259/step, 1.89837 hours remaining, 210.578125 MB of memory in use. ENERGY: 2612600 762.7390 2098.2997 1950.3619 120.9512 -206454.5321 18002.4266 0.0000 0.0000 34294.6544 -149225.0994 299.5037 -183519.7538 -149129.8838 298.8187 41.6043 78.2256 557045.9305 14.4937 14.5781 PRESSURE: 2612800 152.457 19.9076 -4.11448 19.9077 -88.2929 68.5924 -4.11432 68.5916 -118.544 GPRESSURE: 2612800 216.662 72.7653 -0.933842 -1.12644 -91.3 51.3741 31.2872 17.4445 -86.0268 PRESSAVG: 2612800 -21.3742 -21.4139 80.6163 -21.414 31.5584 42.5449 80.6164 42.5448 8.40803 GPRESSAVG: 2612800 -19.6405 -19.4366 80.3287 -23.2859 30.3783 46.2095 79.9707 41.6432 7.86296 TIMING: 2612800 CPU: 7571.63, 0.00286818/step Wall: 7571.63, 0.00286818/step, 1.90192 hours remaining, 210.578125 MB of memory in use. ENERGY: 2612800 722.6662 2126.8188 1957.4453 103.6186 -206075.4182 17685.7714 0.0000 0.0000 34392.0500 -149087.0479 300.3543 -183479.0979 -148991.1849 298.7139 -18.1266 13.1119 557334.6185 6.1974 6.2003 PRESSURE: 2613000 -252.646 -107.825 -59.6533 -107.825 171.829 -79.1195 -59.654 -79.118 129.297 GPRESSURE: 2613000 -201.768 -21.4271 -37.6322 -214.956 177.65 -57.1264 -27.0757 -88.3639 165.796 PRESSAVG: 2613000 55.5269 -58.5564 55.6687 -58.5565 -22.7372 38.2619 55.6688 38.2618 -44.0672 GPRESSAVG: 2613000 54.7769 -60.9009 56.1709 -57.2236 -22.2518 35.9718 55.2595 38.7386 -44.0675 TIMING: 2613000 CPU: 7572.21, 0.00287505/step Wall: 7572.21, 0.00287505/step, 1.90632 hours remaining, 210.578125 MB of memory in use. ENERGY: 2613000 769.4739 2143.3197 1977.1280 105.2135 -206360.6831 17935.7760 0.0000 0.0000 34343.3251 -149086.4469 299.9288 -183429.7720 -148994.1613 299.5922 16.1598 47.2263 556365.2496 -3.7592 -3.8475 PRESSURE: 2613200 111.663 -127.81 227.496 -127.811 151.028 -16.6351 227.495 -16.6338 148.765 GPRESSURE: 2613200 168.717 -191.947 242.482 -76.2827 191.584 -37.2787 239.698 42.7931 153.626 PRESSAVG: 2613200 -3.66295 4.08819 52.8928 4.08822 18.0117 -5.68657 52.8928 -5.68665 19.0391 GPRESSAVG: 2613200 -3.69878 5.85397 54.519 2.28253 18.625 -3.92546 52.9865 -4.31752 18.1979 TIMING: 2613200 CPU: 7572.78, 0.00289825/step Wall: 7572.78, 0.00289825/step, 1.92154 hours remaining, 210.578125 MB of memory in use. ENERGY: 2613200 747.2332 2017.6966 1970.6425 126.9559 -206216.2773 18087.4872 0.0000 0.0000 34343.2740 -148922.9879 299.9284 -183266.2619 -148824.8153 300.2036 137.1520 171.3093 557031.2494 11.1293 11.0414 PRESSURE: 2613400 -189.115 40.9746 67.1365 40.9746 -144.05 48.3559 67.1361 48.3547 -116.035 GPRESSURE: 2613400 -130.101 42.4502 35.8956 0.058157 -46.6154 70.7222 128.8 58.4763 -173.409 PRESSAVG: 2613400 -27.0151 -47.6373 97.1918 -47.6373 2.49866 0.666 97.1918 0.665858 -10.5081 GPRESSAVG: 2613400 -27.9028 -49.9753 95.903 -43.9677 2.59119 -0.549683 96.1409 1.45752 -9.54216 TIMING: 2613400 CPU: 7573.36, 0.00288855/step Wall: 7573.36, 0.00288855/step, 1.91495 hours remaining, 210.578125 MB of memory in use. ENERGY: 2613400 750.8400 2078.7399 1934.5388 110.0366 -205805.7845 17526.2530 0.0000 0.0000 34305.0174 -149100.3588 299.5942 -183405.3762 -149007.2048 299.4671 -149.7332 -116.7084 558759.2176 -11.6749 -11.6179 PRESSURE: 2613600 38.7814 12.9612 64.1511 12.9621 58.7828 3.96723 64.1506 3.96646 -74.9655 GPRESSURE: 2613600 108.179 136.638 127.492 15.2287 34.4657 80.8981 85.2665 -122.677 -27.1465 PRESSAVG: 2613600 12.1601 -45.087 50.3451 -45.087 27.8146 33.2124 50.345 33.2124 -28.1075 GPRESSAVG: 2613600 12.439 -42.3641 50.8814 -49.4977 26.6218 33.8334 49.8969 31.5554 -27.6951 TIMING: 2613600 CPU: 7573.94, 0.00289853/step Wall: 7573.94, 0.00289853/step, 1.9214 hours remaining, 210.578125 MB of memory in use. ENERGY: 2613600 797.2823 2116.1983 1945.1088 113.0243 -206300.6711 17971.7995 0.0000 0.0000 34329.5105 -149027.7473 299.8082 -183357.2579 -148941.2179 299.5377 7.5329 38.4993 558519.4064 3.9558 3.7885 PRESSURE: 2613800 -48.1929 -15.9702 9.18425 -15.9714 -50.3624 131.548 9.18381 131.549 -42.2764 GPRESSURE: 2613800 7.84764 -46.9019 31.0638 16.1414 -14.7894 166.471 -48.3128 136.014 -48.4422 PRESSAVG: 2613800 120.229 20.6568 -9.81477 20.6569 -16.255 51.5293 -9.8148 51.5292 -87.9575 GPRESSAVG: 2613800 119.194 19.5479 -9.73579 23.2427 -15.1331 49.4412 -7.09047 52.3368 -88.0807 TIMING: 2613800 CPU: 7574.52, 0.00288887/step Wall: 7574.52, 0.00288887/step, 1.91484 hours remaining, 210.578125 MB of memory in use. ENERGY: 2613800 774.6109 2115.3061 1961.4846 111.3119 -205579.0432 17614.2453 0.0000 0.0000 34197.5345 -148804.5498 298.6556 -183002.0843 -148698.0514 300.2766 -46.9439 -18.4613 557626.8936 5.3387 5.3267 PRESSURE: 2614000 -242.001 -176.508 -72.6943 -176.509 -241.749 59.1738 -72.6952 59.1736 -300.192 GPRESSURE: 2614000 -196.106 -148.627 -118.955 -119.023 -241.728 -1.92607 -106.218 145.916 -260.272 PRESSAVG: 2614000 54.5406 -47.6474 27.2153 -47.6473 -8.23727 -28.9368 27.2153 -28.9368 -28.831 GPRESSAVG: 2614000 56.0386 -47.7068 28.793 -47.9242 -9.86815 -29.8264 25.1795 -26.8297 -28.3941 TIMING: 2614000 CPU: 7575.1, 0.0028857/step Wall: 7575.1, 0.0028857/step, 1.91258 hours remaining, 210.578125 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: 2614000 802.6722 2136.0794 1934.0495 104.0926 -205456.8968 17397.0560 0.0000 0.0000 34470.7073 -148612.2398 301.0413 -183082.9471 -148506.9085 300.7517 -261.3137 -232.7020 558303.0766 5.8241 5.9255 PRESSURE: 2614200 -30.2336 -136.277 48.479 -136.277 11.7883 55.1188 48.4793 55.118 299.219 GPRESSURE: 2614200 -18.8751 -190.659 133.078 -109.975 44.6007 133.675 -38.656 -117.321 352.82 PRESSAVG: 2614200 17.0929 -23.3863 -47.521 -23.3862 -41.0442 38.091 -47.521 38.0909 28.927 GPRESSAVG: 2614200 16.0297 -24.4181 -50.3003 -23.3653 -40.864 40.0948 -48.0793 35.9886 28.885 TIMING: 2614200 CPU: 7575.67, 0.00287571/step Wall: 7575.67, 0.00287571/step, 1.9058 hours remaining, 210.578125 MB of memory in use. ENERGY: 2614200 764.1001 2127.7679 1933.6924 117.3586 -205746.9611 17877.0862 0.0000 0.0000 34362.1927 -148564.7632 300.0936 -182926.9559 -148476.6628 301.1331 93.5911 126.1819 558405.2779 1.6585 1.3503 PRESSURE: 2614400 -241.716 -97.5616 107.562 -97.5622 -81.5186 53.6562 107.561 53.6554 -216.344 GPRESSURE: 2614400 -126.767 -1.02083 28.7153 -68.7845 -86.1418 58.1315 84.8653 59.7399 -226.86 PRESSAVG: 2614400 -4.3867 -23.7955 22.4531 -23.7955 25.2727 16.8415 22.4531 16.8415 14.9351 GPRESSAVG: 2614400 -4.34706 -21.046 23.4851 -24.8667 25.6532 17.9258 22.2984 15.3558 14.3733 TIMING: 2614400 CPU: 7576.25, 0.0028949/step Wall: 7576.25, 0.0028949/step, 1.91835 hours remaining, 210.578125 MB of memory in use. ENERGY: 2614400 801.2591 2094.5293 1947.7594 115.2825 -205860.2650 17504.6089 0.0000 0.0000 34733.0869 -148663.7389 303.3327 -183396.8258 -148559.2633 301.5587 -179.8592 -146.5897 556929.4461 11.9404 11.8931 PRESSURE: 2614600 -38.202 36.3974 -57.2125 36.3967 -77.5791 -20.8794 -57.2125 -20.879 74.5744 GPRESSURE: 2614600 17.2597 26.659 -103.571 90.8815 -66.0523 -28.8682 -73.8727 -76.3114 96.5579 PRESSAVG: 2614600 59.1693 45.299 35.1565 45.299 -19.9525 39.3268 35.1565 39.3268 -22.6953 GPRESSAVG: 2614600 59.0419 43.4396 34.9269 46.6104 -20.0338 37.0138 34.4829 39.4192 -22.6859 TIMING: 2614600 CPU: 7576.83, 0.00287462/step Wall: 7576.83, 0.00287462/step, 1.90476 hours remaining, 210.578125 MB of memory in use. ENERGY: 2614600 773.0420 2109.4472 1952.3181 128.0984 -205921.9510 17850.6575 0.0000 0.0000 34463.1457 -148645.2421 300.9752 -183108.3878 -148551.6722 301.5823 -13.7356 15.9218 559846.7976 5.5072 5.4407 PRESSURE: 2614800 4.61693 -50.2999 -214.405 -50.2993 211.25 49.0411 -214.405 49.0409 36.7637 GPRESSURE: 2614800 72.1302 -11.6807 -184.959 -99.496 213.735 40.3118 -175.688 108.82 70.2868 PRESSAVG: 2614800 -9.44049 -9.46328 -20.8818 -9.46317 20.0682 10.4185 -20.8818 10.4185 -43.414 GPRESSAVG: 2614800 -10.1499 -9.26351 -20.7144 -10.6741 21.0052 10.3488 -19.7147 10.374 -43.5865 TIMING: 2614800 CPU: 7577.4, 0.00289016/step Wall: 7577.4, 0.00289016/step, 1.91489 hours remaining, 210.578125 MB of memory in use. ENERGY: 2614800 741.1136 2156.4962 1955.9854 117.4341 -205745.0876 17663.3890 0.0000 0.0000 34343.0990 -148767.5702 299.9268 -183110.6692 -148667.7228 300.8901 84.2101 118.7174 557509.0642 -10.9287 -10.9104 PRESSURE: 2615000 67.863 -46.5796 1.50559 -46.5815 106.48 97.851 1.50489 97.8526 40.2106 GPRESSURE: 2615000 139.938 -79.5575 -49.2123 -40.2609 124.162 99.1436 -22.9623 69.0627 44.4574 PRESSAVG: 2615000 -7.92937 -25.0391 -6.20466 -25.0391 37.6346 -40.5152 -6.20461 -40.5152 -6.14019 GPRESSAVG: 2615000 -7.89883 -25.6477 -5.46114 -23.5528 37.0016 -41.6873 -6.36204 -37.2387 -6.08996 TIMING: 2615000 CPU: 7577.98, 0.00287026/step Wall: 7577.98, 0.00287026/step, 1.90155 hours remaining, 210.578125 MB of memory in use. ENERGY: 2615000 713.7440 2106.9430 1947.5493 124.0897 -205807.5262 17781.1359 0.0000 0.0000 34440.5506 -148693.5138 300.7779 -183134.0644 -148597.7138 300.8888 71.5178 102.8525 558084.1702 7.8550 7.6709 PRESSURE: 2615200 -82.9309 -32.3632 80.6118 -32.3643 360.845 58.731 80.612 58.7327 121.774 GPRESSURE: 2615200 4.16859 -1.59562 104.22 25.9954 362.272 172.452 121.281 -105.302 136.193 PRESSAVG: 2615200 6.93179 3.82772 61.9527 3.82781 -22.8679 12.995 61.9527 12.995 -6.70654 GPRESSAVG: 2615200 6.27802 3.89628 60.1507 2.63543 -21.9131 14.5609 64.2755 9.65671 -6.75032 TIMING: 2615200 CPU: 7578.56, 0.00288883/step Wall: 7578.56, 0.00288883/step, 1.91369 hours remaining, 210.578125 MB of memory in use. ENERGY: 2615200 770.0812 2148.1235 1951.4187 104.1695 -206191.4690 18044.7082 0.0000 0.0000 34360.1584 -148812.8096 300.0758 -183172.9680 -148719.5285 300.1786 133.2295 167.5445 557890.8879 -7.5476 -7.4618 PRESSURE: 2615400 -241.836 -27.127 -98.7314 -27.1264 -133.005 152.79 -98.7315 152.791 -213.454 GPRESSURE: 2615400 -157.048 6.41641 -157.21 -47.804 -75.1132 174.342 -97.7825 110.153 -248.155 PRESSAVG: 2615400 10.5558 6.64558 11.9989 6.64558 -16.9381 -18.5646 11.9989 -18.5645 46.6426 GPRESSAVG: 2615400 11.7003 7.83407 12.4521 6.20121 -17.9777 -18.6811 9.06969 -18.5021 46.5442 TIMING: 2615400 CPU: 7579.13, 0.00288067/step Wall: 7579.13, 0.00288067/step, 1.90812 hours remaining, 210.578125 MB of memory in use. ENERGY: 2615400 724.9746 2145.8263 1987.2267 123.0407 -206069.9241 17716.6854 0.0000 0.0000 34566.8067 -148805.3637 301.8805 -183372.1704 -148708.8840 300.2521 -196.0986 -160.1055 559096.0540 13.4201 13.4223 PRESSURE: 2615600 93.3617 36.3169 -206.232 36.3172 73.3597 42.7095 -206.23 42.711 -97.0005 GPRESSURE: 2615600 108.991 -40.5037 -129.65 112.011 73.4838 93.1302 -211.642 50.8664 -15.0169 PRESSAVG: 2615600 28.4131 -11.5456 -0.193574 -11.5456 -13.8177 -1.92301 -0.193516 -1.92309 14.7499 GPRESSAVG: 2615600 28.514 -11.7699 1.94531 -11.1679 -13.292 -3.66457 -0.0130951 -3.08404 14.5463 TIMING: 2615600 CPU: 7579.71, 0.00290823/step Wall: 7579.71, 0.00290823/step, 1.92622 hours remaining, 210.578125 MB of memory in use. ENERGY: 2615600 787.1126 2054.6580 1985.8213 126.3189 -206110.0435 17953.6461 0.0000 0.0000 34548.1595 -148654.3271 301.7177 -183202.4866 -148559.0188 301.1373 23.2403 55.8194 558878.9192 9.7817 9.9227 PRESSURE: 2615800 -364.158 -82.9616 33.4562 -82.9618 -216.864 36.3109 33.4559 36.3092 -138.682 GPRESSURE: 2615800 -310.497 -108.928 111.966 -92.6796 -188.17 -20.3345 -9.02356 62.5441 -125.504 PRESSAVG: 2615800 -8.87592 -34.4696 -27.538 -34.4697 -1.89055 -14.9453 -27.5381 -14.9453 10.5993 GPRESSAVG: 2615800 -8.51011 -35.2572 -28.5111 -34.0875 -2.25801 -13.3237 -25.7601 -13.407 10.4521 TIMING: 2615800 CPU: 7580.29, 0.0028875/step Wall: 7580.29, 0.0028875/step, 1.91232 hours remaining, 210.578125 MB of memory in use. ENERGY: 2615800 768.6514 2144.1080 1973.0688 122.7171 -205458.1266 17492.9412 0.0000 0.0000 34405.1056 -148551.5345 300.4683 -182956.6401 -148453.9709 300.9441 -239.9013 -208.0570 561102.5073 -0.0557 -0.1053 PRESSURE: 2616000 82.8142 -62.1379 96.8738 -62.1382 -344.2 146.949 96.8734 146.949 -5.28859 GPRESSURE: 2616000 110.353 -56.963 109.252 -85.332 -326.917 148.962 32.6384 142.499 48.2268 PRESSAVG: 2616000 -21.5571 -16.816 -19.9382 -16.816 -5.36892 -8.64048 -19.9382 -8.6405 -5.41054 GPRESSAVG: 2616000 -21.5547 -18.8465 -19.1253 -17.2015 -5.00044 -8.81363 -19.3048 -8.21946 -5.67764 TIMING: 2616000 CPU: 7580.87, 0.00288088/step Wall: 7580.87, 0.00288088/step, 1.90778 hours remaining, 210.578125 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: 2616000 778.2969 2115.0271 1963.5281 124.4503 -205736.5768 17623.0606 0.0000 0.0000 34427.0511 -148705.1628 300.6600 -183132.2138 -148607.1743 300.7148 -88.8916 -56.1125 558702.2752 -10.7788 -10.7443 PRESSURE: 2616200 56.8698 -20.928 117.398 -20.929 28.1231 53.947 117.398 53.9472 43.0359 GPRESSURE: 2616200 154.192 45.6819 89.1568 -23.526 1.42268 42.5656 109.929 135.713 70.5731 PRESSAVG: 2616200 -18.4737 21.7211 -7.88036 21.7211 -14.8062 91.0743 -7.88032 91.0744 30.257 GPRESSAVG: 2616200 -18.2943 22.8906 -8.92105 21.4519 -14.9058 90.6228 -11.311 91.481 30.2778 TIMING: 2616200 CPU: 7581.44, 0.00288113/step Wall: 7581.44, 0.00288113/step, 1.90779 hours remaining, 210.578125 MB of memory in use. ENERGY: 2616200 774.5091 2060.9946 1963.8280 110.9166 -206047.2528 17950.7615 0.0000 0.0000 34319.8540 -148866.3891 299.7238 -183186.2431 -148765.9584 300.7776 42.6763 75.3960 556964.6671 -1.0077 -0.9741 LDB: ============= START OF LOAD BALANCING ============== 7584.83 LDB: ============== END OF LOAD BALANCING =============== 7584.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7584.83 LDB: ============= START OF LOAD BALANCING ============== 7585.12 LDB: Largest compute 4800 load 0.024845 is 21.1% of average load 0.117873 LDB: Average compute 0.001747 is 1.5% of average load 0.117873 LDB: TIME 7585.12 LOAD: AVG 0.117873 MAX 0.180126 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.574 MB LDB: TIME 7585.12 LOAD: AVG 0.117873 MAX 0.180126 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.773 MB LDB: TIME 7585.12 LOAD: AVG 0.117873 MAX 0.180126 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7585.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7585.13 PRESSURE: 2616400 -54.3415 -65.5639 -57.3456 -65.5646 38.0895 53.1495 -57.3459 53.1499 -77.2376 GPRESSURE: 2616400 -37.8393 -141.217 -108.276 -75.5743 65.4312 22.6987 -76.4382 32.2622 -21.6954 PRESSAVG: 2616400 -7.77548 34.0623 -14.1876 34.0623 -33.8793 -39.3577 -14.1876 -39.3577 26.8821 GPRESSAVG: 2616400 -7.86527 32.9246 -16.1335 34.7024 -34.2487 -39.9375 -12.5583 -37.8774 26.9026 TIMING: 2616400 CPU: 7582.03, 0.00293232/step Wall: 7582.03, 0.00293232/step, 1.94152 hours remaining, 208.324219 MB of memory in use. ENERGY: 2616400 763.3351 2106.0869 1979.6598 106.1240 -206263.5269 17979.2104 0.0000 0.0000 34526.7941 -148802.3166 301.5311 -183329.1107 -148706.3001 301.1213 -31.1632 1.9655 558331.2900 -4.9242 -5.0704 PRESSURE: 2616600 154.62 -12.246 -119.004 -12.2468 -8.24144 32.1217 -119.003 32.1221 -129.138 GPRESSURE: 2616600 169.972 -66.5777 -39.0996 -11.5105 11.4629 30.011 -157.981 158.226 -79.5601 PRESSAVG: 2616600 21.6643 -3.25721 -4.72674 -3.25717 19.2622 7.22987 -4.7267 7.22987 -9.25184 GPRESSAVG: 2616600 21.6193 -2.43303 -3.17384 -4.67209 18.2459 8.74889 -4.60461 4.75553 -8.96154 TIMING: 2616600 CPU: 7582.6, 0.00287275/step Wall: 7582.6, 0.00287275/step, 1.90192 hours remaining, 208.324219 MB of memory in use. ENERGY: 2616600 799.1727 2069.8639 1987.1809 111.8634 -206084.1336 17909.0317 0.0000 0.0000 34352.9040 -148854.1170 300.0125 -183207.0210 -148757.5737 301.0681 5.7469 33.9581 556796.5418 10.5582 10.3012 PRESSURE: 2616800 65.4945 59.3531 -122.687 59.3537 -163.203 -39.4637 -122.687 -39.4626 -194.256 GPRESSURE: 2616800 49.2816 83.947 -78.4013 14.6014 -74.5299 9.01672 -132.948 -104.881 -173.082 PRESSAVG: 2616800 -12.5004 -8.71198 1.54011 -8.71192 -12.3185 -19.3256 1.54007 -19.3256 15.1063 GPRESSAVG: 2616800 -12.8041 -8.30123 0.897105 -8.04 -11.812 -18.6072 1.52386 -18.4536 14.7781 TIMING: 2616800 CPU: 7583.18, 0.00287114/step Wall: 7583.18, 0.00287114/step, 1.90069 hours remaining, 208.324219 MB of memory in use. ENERGY: 2616800 752.8150 2094.1984 1953.0073 103.6590 -206161.7038 17701.0530 0.0000 0.0000 34407.3046 -149149.6666 300.4875 -183556.9711 -149045.8503 300.5386 -97.3212 -66.1103 556668.5894 -3.2375 -3.2793 PRESSURE: 2617000 49.5201 52.8068 -17.319 52.8065 71.3707 -88.8861 -17.3173 -88.8852 -72.2476 GPRESSURE: 2617000 44.4091 32.3438 16.5463 43.131 135.709 -87.1776 -22.5614 -91.7422 -35.0077 PRESSAVG: 2617000 7.53523 -44.7217 5.98788 -44.7218 25.4873 -35.4137 5.98793 -35.4137 -24.6856 GPRESSAVG: 2617000 8.09862 -42.5801 6.77851 -45.79 25.8607 -35.8494 7.63465 -34.6712 -25.3954 TIMING: 2617000 CPU: 7583.76, 0.00288092/step Wall: 7583.76, 0.00288092/step, 1.90701 hours remaining, 208.324219 MB of memory in use. ENERGY: 2617000 737.2250 2103.1136 1938.8240 101.8008 -206329.4499 17852.7409 0.0000 0.0000 34297.1916 -149298.5539 299.5259 -183595.7455 -149199.7580 299.3116 16.2144 48.3702 557413.0322 2.7790 2.8546 PRESSURE: 2617200 -280.696 -26.9223 137.368 -26.9215 -144.828 -103.943 137.368 -103.942 -284.765 GPRESSURE: 2617200 -208.37 -8.97784 137.06 -20.1442 -145.507 -206.35 87.9928 -80.9315 -261.447 PRESSAVG: 2617200 -75.3945 28.3733 23.2167 28.3734 0.609141 -52.0432 23.2165 -52.0432 59.6036 GPRESSAVG: 2617200 -75.5512 27.078 21.3905 28.2808 0.10573 -52.8825 24.2445 -53.0018 59.9691 TIMING: 2617200 CPU: 7584.33, 0.00287656/step Wall: 7584.33, 0.00287656/step, 1.90396 hours remaining, 208.324219 MB of memory in use. ENERGY: 2617200 739.4094 2175.3089 1939.8304 111.8347 -205974.2668 17432.6405 0.0000 0.0000 34106.5806 -149468.6623 297.8613 -183575.2429 -149368.3782 299.1861 -236.7628 -205.1078 557171.1654 -5.0606 -5.1588 PRESSURE: 2617400 69.2292 -102.186 -48.733 -102.185 -265.521 82.7901 -48.7322 82.7906 284.867 GPRESSURE: 2617400 109.586 -104.889 -22.9948 -81.8351 -208.022 37.2706 -118.718 199.175 280.995 PRESSAVG: 2617400 -71.5793 -17.2304 24.7618 -17.2304 -11.3121 -7.4502 24.7618 -7.45016 89.3784 GPRESSAVG: 2617400 -70.9046 -16.213 26.938 -16.7154 -10.8766 -6.25459 22.1988 -6.70236 88.4599 TIMING: 2617400 CPU: 7584.91, 0.00289261/step Wall: 7584.91, 0.00289261/step, 1.91443 hours remaining, 208.324219 MB of memory in use. ENERGY: 2617400 753.0689 2096.6344 1985.7300 121.2684 -206227.0948 17814.2804 0.0000 0.0000 34049.8896 -149406.2230 297.3662 -183456.1127 -149310.6651 298.6888 29.5251 60.8531 557370.6161 2.1623 2.2262 PRESSURE: 2617600 -92.2164 -75.7432 -30.015 -75.7424 -61.8075 -40.5943 -30.0144 -40.5913 -55.4411 GPRESSURE: 2617600 -50.5575 -88.2338 -36.2747 -32.809 -32.2452 -10.7395 -72.6775 -71.0723 -25.7379 PRESSAVG: 2617600 -7.08936 16.8887 -17.0672 16.8887 -3.79024 -1.11793 -17.0672 -1.11795 6.54291 GPRESSAVG: 2617600 -7.8445 15.3413 -18.3688 18.6655 -4.19838 -1.87101 -14.9961 0.120659 7.72234 TIMING: 2617600 CPU: 7585.49, 0.00288164/step Wall: 7585.49, 0.00288164/step, 1.90701 hours remaining, 208.324219 MB of memory in use. ENERGY: 2617600 723.1272 2070.4603 1987.5322 111.5935 -206239.4785 17631.2837 0.0000 0.0000 34170.2870 -149545.1946 298.4176 -183715.4816 -149453.9590 298.6915 -69.8217 -36.1802 556642.0874 -1.4456 -1.4402 PRESSURE: 2617800 -177.281 105.031 77.5818 105.032 -297.627 97.6793 77.583 97.6798 -253.131 GPRESSURE: 2617800 -155.398 91.1791 32.201 53.3764 -270.715 39.1786 3.85191 79.5885 -214.135 PRESSAVG: 2617800 15.0748 38.0394 -55.7391 38.0394 -46.5996 -43.6381 -55.7391 -43.6382 42.6443 GPRESSAVG: 2617800 14.7345 37.4994 -54.2045 36.5735 -46.4889 -41.5279 -58.2533 -44.5975 42.4052 TIMING: 2617800 CPU: 7586.07, 0.00290255/step Wall: 7586.07, 0.00290255/step, 1.92068 hours remaining, 208.324219 MB of memory in use. ENERGY: 2617800 768.6741 2112.6483 1944.1400 109.0284 -206354.4311 17633.8167 0.0000 0.0000 34096.2535 -149689.8702 297.7711 -183786.1236 -149588.2181 297.8905 -242.6799 -213.4159 557359.0186 3.7065 3.5503 PRESSURE: 2618000 -211.577 -220.239 -203.549 -220.239 -12.9935 -45.774 -203.548 -45.7733 236.025 GPRESSURE: 2618000 -195.297 -246.993 -186.319 -249.111 25.1593 -57.6552 -224.394 -88.4132 273.679 PRESSAVG: 2618000 -20.3112 -33.552 9.23277 -33.552 41.1728 -23.9424 9.23279 -23.9424 -52.0766 GPRESSAVG: 2618000 -19.5138 -32.4795 8.6543 -34.5421 41.0146 -25.0071 8.10926 -25.2239 -52.8919 TIMING: 2618000 CPU: 7586.64, 0.00289285/step Wall: 7586.64, 0.00289285/step, 1.9141 hours remaining, 208.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2618000 736.7357 2028.6945 1966.9218 121.3812 -206586.3263 17887.4822 0.0000 0.0000 34235.8786 -149609.2323 298.9904 -183845.1109 -149509.7147 297.8473 3.8181 34.5136 557548.2966 -10.4050 -10.4637 PRESSURE: 2618200 -61.0101 -141.557 -69.6122 -141.557 -207.517 30.7407 -69.6135 30.7395 -230.152 GPRESSURE: 2618200 -25.6666 -172.776 -90.7288 -155.985 -182.693 115.08 -76.1965 73.1255 -187.445 PRESSAVG: 2618200 6.78238 -22.9932 -48.8257 -22.9932 -17.234 1.22878 -48.8258 1.22872 18.0467 GPRESSAVG: 2618200 6.14539 -24.6181 -50.1289 -21.519 -16.3619 -0.681009 -44.2109 3.53422 18.2313 TIMING: 2618200 CPU: 7587.22, 0.00289356/step Wall: 7587.22, 0.00289356/step, 1.91441 hours remaining, 208.324219 MB of memory in use. ENERGY: 2618200 734.1393 2096.9103 1943.9498 118.0547 -206006.6197 17562.5937 0.0000 0.0000 33998.4002 -149552.5717 296.9165 -183550.9719 -149468.5822 297.7292 -166.2265 -131.9346 558705.1566 2.5317 2.6716 PRESSURE: 2618400 -234.82 194.062 3.37274 194.062 -19.5557 44.3404 3.37139 44.34 126.149 GPRESSURE: 2618400 -126.807 198.698 -31.089 203.871 -7.33945 125.563 28.6355 -72.8738 88.1153 PRESSAVG: 2618400 -0.927779 39.3188 -12.5043 39.3187 50.8489 -17.6086 -12.5044 -17.6086 -49.2962 GPRESSAVG: 2618400 -1.03667 39.6259 -11.2055 38.4182 49.4656 -14.7118 -16.2887 -19.4137 -48.3677 TIMING: 2618400 CPU: 7587.8, 0.00288989/step Wall: 7587.8, 0.00288989/step, 1.91182 hours remaining, 208.324219 MB of memory in use. ENERGY: 2618400 747.5757 2053.7546 1948.1474 108.0547 -206620.6306 17946.9976 0.0000 0.0000 34271.5021 -149544.5986 299.3016 -183816.1007 -149446.0729 298.7644 -42.7424 -15.3438 558770.7575 0.2083 0.0204 PRESSURE: 2618600 191.392 -140.509 -110.463 -140.509 -103.077 34.6681 -110.462 34.6673 -47.9281 GPRESSURE: 2618600 299.364 -96.4344 -107.659 -196.475 -103.184 -37.8629 -105.889 119.423 -53.0588 PRESSAVG: 2618600 19.4337 32.1024 30.2645 32.1025 -7.89679 28.0776 30.2646 28.0776 17.4686 GPRESSAVG: 2618600 19.8382 28.9663 29.8808 33.8499 -8.85775 24.9531 32.0229 31.0385 18.0244 TIMING: 2618600 CPU: 7588.38, 0.00290884/step Wall: 7588.38, 0.00290884/step, 1.92419 hours remaining, 208.324219 MB of memory in use. ENERGY: 2618600 721.0095 2116.5355 1940.0874 130.2065 -206684.6183 18084.0697 0.0000 0.0000 34109.8901 -149582.8197 297.8902 -183692.7098 -149490.7019 298.1414 13.4621 47.7070 557810.3706 9.6685 9.6683 PRESSURE: 2618800 35.2106 7.97829 -70.7715 7.97842 -319.75 41.807 -70.7714 41.808 -82.7729 GPRESSURE: 2618800 53.561 -68.9021 -67.546 -44.6071 -282.604 4.87777 -28.8571 35.7214 -51.4496 PRESSAVG: 2618800 29.0533 -57.454 -26.7713 -57.4539 -15.0068 -41.9171 -26.7712 -41.9172 -21.0726 GPRESSAVG: 2618800 29.1607 -54.5009 -26.4514 -58.6734 -14.9263 -39.577 -26.1143 -44.8643 -21.7462 TIMING: 2618800 CPU: 7588.96, 0.00288694/step Wall: 7588.96, 0.00288694/step, 1.90955 hours remaining, 208.324219 MB of memory in use. ENERGY: 2618800 724.1608 2118.7569 1911.1066 97.9039 -206219.4393 17653.4056 0.0000 0.0000 34101.1955 -149612.9100 297.8142 -183714.1055 -149516.4767 298.1677 -122.4374 -93.4976 558279.7567 -2.3420 -2.5039 PRESSURE: 2619000 -242.81 -133.004 -97.3331 -133.003 89.0714 38.617 -97.3308 38.6183 -355.823 GPRESSURE: 2619000 -249.014 -62.4312 -133.01 -149.905 143.415 -90.1261 -15.8456 113.087 -308.237 PRESSAVG: 2619000 -45.0672 27.0409 38.667 27.041 -6.77525 12.1051 38.667 12.1051 50.9266 GPRESSAVG: 2619000 -45.9281 27.7291 37.9298 26.6223 -6.14651 10.2996 38.2768 14.2628 50.9692 TIMING: 2619000 CPU: 7589.54, 0.00290077/step Wall: 7589.54, 0.00290077/step, 1.91854 hours remaining, 208.324219 MB of memory in use. ENERGY: 2619000 755.8934 2116.6583 1905.0133 111.8983 -206679.5553 17851.1907 0.0000 0.0000 34304.7688 -149634.1325 299.5921 -183938.9013 -149541.7646 297.9830 -169.8538 -137.9453 558034.3351 -0.3053 -0.3685 PRESSURE: 2619200 149.684 -47.4356 -47.8069 -47.4345 5.43189 -63.5883 -47.8073 -63.5881 -117.355 GPRESSURE: 2619200 143.654 47.1776 -77.1793 -31.6658 52.9947 -83.4302 -21.5344 -6.77619 -65.7306 PRESSAVG: 2619200 -55.7007 -26.6767 -19.8193 -26.6766 34.7538 14.2987 -19.8192 14.2986 5.94705 GPRESSAVG: 2619200 -55.7418 -26.6942 -19.1681 -26.2957 34.6777 14.4556 -19.9724 13.2669 6.04192 TIMING: 2619200 CPU: 7590.12, 0.00292017/step Wall: 7590.12, 0.00292017/step, 1.93121 hours remaining, 208.324219 MB of memory in use. ENERGY: 2619200 761.7418 2067.7933 1929.1137 107.1446 -206572.3136 17966.3302 0.0000 0.0000 34375.7721 -149364.4179 300.2122 -183740.1900 -149263.4515 298.5134 12.5869 43.6393 556109.8333 -5.0000 -5.0074 PRESSURE: 2619400 -95.7647 -144.081 -3.84487 -144.082 41.76 -122.38 -3.84409 -122.38 -15.5505 GPRESSURE: 2619400 -62.2204 -167.545 -1.02824 -88.7106 82.3002 -99.8095 48.8646 -128.826 0.0992786 PRESSAVG: 2619400 0.385619 -13.4913 -22.0175 -13.4913 -0.145023 -57.105 -22.0174 -57.105 52.6972 GPRESSAVG: 2619400 0.43517 -15.3488 -19.7402 -13.1827 0.528421 -57.6094 -23.1657 -58.0228 51.4928 TIMING: 2619400 CPU: 7590.71, 0.00290543/step Wall: 7590.71, 0.00290543/step, 1.9213 hours remaining, 208.324219 MB of memory in use. ENERGY: 2619400 770.5778 2047.5122 1923.9904 93.7682 -206116.4743 17799.1183 0.0000 0.0000 34317.7708 -149163.7366 299.7056 -183481.5074 -149065.9959 299.2818 -23.1851 6.7264 557186.4303 17.6459 17.4855 PRESSURE: 2619600 -222.432 58.7279 77.0742 58.7283 -177.32 -62.8973 77.0727 -62.8979 -196.558 GPRESSURE: 2619600 -188.7 40.0809 51.0539 -12.0466 -150.487 15.8997 97.5239 -94.639 -159.535 PRESSAVG: 2619600 44.9028 43.5432 -48.8971 43.5433 14.8102 -32.4166 -48.8971 -32.4166 -68.197 GPRESSAVG: 2619600 44.8484 43.9239 -50.4259 45.0397 14.9463 -31.2835 -47.2584 -31.3844 -68.6138 TIMING: 2619600 CPU: 7591.28, 0.00287955/step Wall: 7591.28, 0.00287955/step, 1.90402 hours remaining, 208.324219 MB of memory in use. ENERGY: 2619600 765.5558 2028.2553 1989.9739 115.4691 -205601.0557 17358.2623 0.0000 0.0000 34059.3019 -149284.2374 297.4484 -183343.5392 -149190.4335 299.2769 -198.7701 -166.2406 558194.2790 -2.8280 -2.9397 PRESSURE: 2619800 106.73 38.9129 125.42 38.913 -31.2176 -115.102 125.419 -115.1 -111.645 GPRESSURE: 2619800 111.197 -7.77838 231.08 17.9648 51.9464 -102.184 -33.9556 -129.913 -95.9067 PRESSAVG: 2619800 -3.53466 -22.6347 16.3041 -22.6346 104.993 -57.355 16.3042 -57.3551 -100.184 GPRESSAVG: 2619800 -3.15158 -20.2168 15.2053 -26.2275 104.564 -58.0628 15.2938 -58.0211 -99.7375 TIMING: 2619800 CPU: 7591.86, 0.00288245/step Wall: 7591.86, 0.00288245/step, 1.90578 hours remaining, 208.324219 MB of memory in use. ENERGY: 2619800 752.0124 2114.6862 1941.5172 116.9736 -206484.9112 18004.9833 0.0000 0.0000 34105.3730 -149449.3655 297.8507 -183554.7385 -149354.4874 298.9866 -12.0442 22.4122 557690.2279 0.4247 0.5582 PRESSURE: 2620000 67.5894 71.9336 58.0755 71.9344 14.6962 -24.7545 58.0754 -24.7534 -89.1458 GPRESSURE: 2620000 129.607 -20.0106 170.957 62.553 13.0407 -11.9986 -56.4034 -6.40749 -57.9153 PRESSAVG: 2620000 -25.131 38.409 -43.8574 38.4091 32.7149 -17.6047 -43.8574 -17.6047 15.5813 GPRESSAVG: 2620000 -25.6262 37.4665 -41.2971 40.5565 33.1345 -16.4158 -43.4005 -17.1016 15.7017 TIMING: 2620000 CPU: 7592.44, 0.00288688/step Wall: 7592.44, 0.00288688/step, 1.90855 hours remaining, 208.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2620000 733.4786 2100.0185 1939.1110 120.6653 -206159.8989 17940.2698 0.0000 0.0000 34008.6598 -149317.6961 297.0061 -183326.3558 -149220.2952 298.1417 -2.2868 28.2440 557513.2272 7.7217 7.7367 PRESSURE: 2620200 126.868 -45.7306 16.0994 -45.7311 153.006 57.5632 16.0979 57.5619 50.3709 GPRESSURE: 2620200 126.629 1.48008 -3.82514 29.1493 189.402 23.4328 -68.9688 31.2707 107.943 PRESSAVG: 2620200 27.4502 -19.1912 24.6346 -19.1912 -12.8702 27.3887 24.6347 27.3887 -58.1555 GPRESSAVG: 2620200 28.2381 -19.5554 22.5816 -20.2457 -13.8398 26.4543 23.4479 27.6056 -58.0528 TIMING: 2620200 CPU: 7593.01, 0.00287906/step Wall: 7593.01, 0.00287906/step, 1.90322 hours remaining, 208.324219 MB of memory in use. ENERGY: 2620200 720.3331 2119.7701 1943.0682 128.2873 -206512.1451 18098.0481 0.0000 0.0000 34253.0432 -149249.5951 299.1403 -183502.6383 -149152.4618 298.6193 110.0817 141.3249 557986.3001 -14.5252 -14.5515 LDB: ============= START OF LOAD BALANCING ============== 7596.4 LDB: ============== END OF LOAD BALANCING =============== 7596.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7596.4 LDB: ============= START OF LOAD BALANCING ============== 7596.69 LDB: Largest compute 4800 load 0.024423 is 20.7% of average load 0.117874 LDB: Average compute 0.001738 is 1.5% of average load 0.117874 LDB: TIME 7596.69 LOAD: AVG 0.117874 MAX 0.18015 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.715 MB LDB: TIME 7596.69 LOAD: AVG 0.117874 MAX 0.18015 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.957 MB LDB: TIME 7596.69 LOAD: AVG 0.117874 MAX 0.18015 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7596.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7596.7 PRESSURE: 2620400 -329.918 -132.069 -2.76778 -132.069 -175.687 -144.169 -2.76791 -144.169 -73.5701 GPRESSURE: 2620400 -373.19 -118.286 -16.5301 -132.876 -109.546 -165.71 55.9868 -101.975 -4.99904 PRESSAVG: 2620400 -19.4818 -4.192 27.0564 -4.19208 16.0179 8.28539 27.0563 8.28544 30.5698 GPRESSAVG: 2620400 -19.7206 -4.18198 28.1606 -3.75933 15.6616 7.00597 25.7096 7.91159 30.869 TIMING: 2620400 CPU: 7593.6, 0.00296083/step Wall: 7593.6, 0.00296083/step, 1.95711 hours remaining, 207.687500 MB of memory in use. ENERGY: 2620400 756.1467 2098.9228 1939.6513 108.1669 -205885.8065 17633.7889 0.0000 0.0000 34111.8284 -149237.3015 297.9071 -183349.1299 -149143.0750 298.9324 -193.0583 -162.5782 559803.7516 9.0353 8.9367 PRESSURE: 2620600 -11.2639 -159.35 -127.932 -159.349 -81.1308 -69.8257 -127.932 -69.8253 -274.495 GPRESSURE: 2620600 33.595 -224.921 16.6756 -68.0735 -103.444 -138.789 -125.664 -30.9246 -195.243 PRESSAVG: 2620600 -22.0144 -54.1189 -35.6352 -54.1189 82.7362 64.4278 -35.6351 64.4277 -25.0287 GPRESSAVG: 2620600 -20.7065 -52.908 -34.7169 -55.6595 82.7065 66.1039 -33.5917 62.6755 -26.2413 TIMING: 2620600 CPU: 7594.18, 0.00289644/step Wall: 7594.18, 0.00289644/step, 1.91438 hours remaining, 207.687500 MB of memory in use. ENERGY: 2620600 764.4923 2152.6354 1946.9850 102.6962 -206256.8017 17702.0016 0.0000 0.0000 34474.8080 -149113.1833 301.0771 -183587.9913 -149013.8862 299.5743 -122.2965 -88.3641 557946.7722 11.8977 11.9196 PRESSURE: 2620800 93.9759 62.1708 80.2041 62.1706 229.957 183.618 80.2041 183.618 -69.9479 GPRESSURE: 2620800 166.019 63.0867 35.4398 44.8395 230.643 241.46 15.6754 166.512 -46.8578 PRESSAVG: 2620800 15.565 -60.1055 -0.0508754 -60.1054 81.8524 -18.5446 -0.0508742 -18.5446 -56.3797 GPRESSAVG: 2620800 15.2791 -62.4299 -2.86837 -59.598 80.8114 -21.3815 1.44588 -16.5589 -55.009 TIMING: 2620800 CPU: 7594.76, 0.00289105/step Wall: 7594.76, 0.00289105/step, 1.91067 hours remaining, 207.687500 MB of memory in use. ENERGY: 2620800 760.5158 2069.4391 1974.0522 105.6168 -206482.8900 18065.8208 0.0000 0.0000 34198.8921 -149308.5532 298.6674 -183507.4453 -149210.7408 299.0338 84.6618 116.6017 558530.7017 13.6792 13.6938 PRESSURE: 2621000 200.652 60.287 -0.88932 60.2869 -112.904 -16.8453 -0.889642 -16.8446 -104.646 GPRESSURE: 2621000 158.96 67.0693 60.687 35.1346 -59.1375 -54.2023 77.4648 -23.2387 -16.3824 PRESSAVG: 2621000 23.6191 -64.8814 42.2983 -64.8814 21.6453 30.3315 42.2983 30.3315 -66.9993 GPRESSAVG: 2621000 22.2604 -63.406 44.2474 -64.2336 23.9028 32.5486 40.7415 28.7088 -67.9398 TIMING: 2621000 CPU: 7595.34, 0.00290439/step Wall: 7595.34, 0.00290439/step, 1.91932 hours remaining, 207.890625 MB of memory in use. ENERGY: 2621000 780.7763 2105.6424 1940.6623 101.8978 -206233.4883 17869.7637 0.0000 0.0000 34150.5963 -149284.1494 298.2457 -183434.7457 -149186.0122 299.2536 -5.6327 27.8133 557924.2092 -7.2450 -7.2589 PRESSURE: 2621200 243.258 -59.9069 80.0276 -59.9083 -159.261 -89.0192 80.0269 -89.0194 134.908 GPRESSURE: 2621200 279.85 -146.247 -19.3105 -32.1467 -116.769 -80.6759 135.112 -75.6642 146.05 PRESSAVG: 2621200 -13.7329 26.6265 21.3631 26.6265 9.04252 39.4463 21.3631 39.4464 0.379834 GPRESSAVG: 2621200 -12.8546 26.7012 19.867 26.5889 7.25172 40.4744 19.7403 39.9373 0.474893 TIMING: 2621200 CPU: 7595.92, 0.00288372/step Wall: 7595.92, 0.00288372/step, 1.9055 hours remaining, 207.890625 MB of memory in use. ENERGY: 2621200 778.1623 2122.0247 1948.5586 110.4943 -206853.2784 18290.7054 0.0000 0.0000 34282.7547 -149320.5784 299.3998 -183603.3331 -149227.1049 299.1358 72.9684 103.0436 557535.4587 -1.4368 -1.7093 PRESSURE: 2621400 16.9908 -47.3967 -85.2344 -47.3966 151.96 -63.0578 -85.235 -63.0577 -157.941 GPRESSURE: 2621400 -10.0152 -18.8794 6.52753 26.499 140.222 -86.5341 -172.614 -18.167 -9.5666 PRESSAVG: 2621400 -40.9057 -0.718343 -7.973 -0.718362 13.9365 29.6608 -7.97293 29.6608 42.725 GPRESSAVG: 2621400 -41.6216 0.81473 -8.21627 -1.96496 14.0846 27.4051 -5.58495 32.0587 43.7039 TIMING: 2621400 CPU: 7596.5, 0.00289197/step Wall: 7596.5, 0.00289197/step, 1.91079 hours remaining, 207.890625 MB of memory in use. ENERGY: 2621400 743.8372 2128.7506 1951.0770 109.3349 -206066.4724 17661.9309 0.0000 0.0000 34285.5049 -149186.0368 299.4238 -183471.5417 -149086.5100 299.7368 3.6699 40.2135 556442.0936 5.2519 5.3890 PRESSURE: 2621600 -199.5 62.0245 161.114 62.0244 -1.34225 66.0638 161.114 66.0623 220.614 GPRESSURE: 2621600 -126.864 90.8148 137.295 61.0529 13.9073 80.5144 167.068 54.1551 233.555 PRESSAVG: 2621600 -43.5296 14.1249 -5.9457 14.1249 -44.4384 -29.0748 -5.9458 -29.0748 47.3107 GPRESSAVG: 2621600 -43.0945 10.7422 -5.1053 15.5648 -44.6506 -28.8924 -6.1632 -31.5419 47.6551 TIMING: 2621600 CPU: 7597.08, 0.00289939/step Wall: 7597.08, 0.00289939/step, 1.91553 hours remaining, 207.890625 MB of memory in use. ENERGY: 2621600 782.4416 2120.8693 1951.9174 114.3603 -206498.8268 17980.2344 0.0000 0.0000 34247.1496 -149301.8542 299.0889 -183549.0038 -149208.4579 299.3655 6.5906 40.1996 557536.2349 -13.5525 -13.3634 PRESSURE: 2621800 -51.7269 -2.10778 112.474 -2.10671 -244.574 105.486 112.477 105.486 -117.623 GPRESSURE: 2621800 -57.9973 -47.678 175.586 -1.19886 -205.529 126.681 63.6265 65.8753 -50.2238 PRESSAVG: 2621800 -3.15912 -30.9358 38.0501 -30.9358 -7.95702 32.4726 38.0501 32.4727 -1.38915 GPRESSAVG: 2621800 -3.36495 -29.7385 37.7962 -29.7305 -6.63353 34.6387 36.0783 31.3452 -2.49531 TIMING: 2621800 CPU: 7597.65, 0.00288062/step Wall: 7597.65, 0.00288062/step, 1.90297 hours remaining, 207.890625 MB of memory in use. ENERGY: 2621800 791.2974 2022.2942 1981.1924 118.6464 -206353.8687 17815.1734 0.0000 0.0000 34215.1133 -149410.1517 298.8091 -183625.2649 -149308.2640 299.1427 -137.9749 -104.5834 557277.5701 -4.1684 -4.1646 PRESSURE: 2622000 -0.776943 73.863 -65.5705 73.863 13.3756 56.3865 -65.5694 56.3855 -73.7752 GPRESSURE: 2622000 59.7381 72.3375 -37.3419 95.4984 32.4095 5.3967 -9.56644 71.6182 -52.0079 PRESSAVG: 2622000 -18.0592 47.4288 67.3821 47.4288 -13.5408 13.8634 67.382 13.8635 34.0779 GPRESSAVG: 2622000 -17.4304 46.5213 67.5897 46.472 -15.0877 11.7015 70.7316 16.8893 34.3498 TIMING: 2622000 CPU: 7598.22, 0.00285339/step Wall: 7598.22, 0.00285339/step, 1.88482 hours remaining, 207.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2622000 763.9219 2084.6156 1954.7514 119.1212 -206202.8361 17853.9763 0.0000 0.0000 34394.1111 -149032.3386 300.3723 -183426.4497 -148937.9650 299.6559 -20.3922 13.3799 556913.6036 0.8259 0.6106 PRESSURE: 2622200 71.7289 -27.8719 -108.208 -27.8707 -1.33933 -118.099 -108.208 -118.098 -20.5408 GPRESSURE: 2622200 114.318 -55.9495 -20.7325 -57.7768 14.1167 -145.511 -116.56 -152.615 22.5972 PRESSAVG: 2622200 12.422 -66.5475 -10.2844 -66.5475 -13.425 -13.8694 -10.2844 -13.8696 -15.043 GPRESSAVG: 2622200 12.5608 -67.8954 -10.8118 -65.91 -13.9462 -14.3209 -10.1955 -14.2361 -14.5067 TIMING: 2622200 CPU: 7598.79, 0.00284931/step Wall: 7598.79, 0.00284931/step, 1.88197 hours remaining, 207.890625 MB of memory in use. ENERGY: 2622200 693.0995 2155.0483 1932.9597 116.9838 -205635.7351 17504.6860 0.0000 0.0000 34045.6117 -149187.3460 297.3288 -183232.9577 -149092.6303 299.0865 16.6163 50.3439 557122.7054 -5.3487 -5.2974 PRESSURE: 2622400 111.05 -5.0072 -21.5944 -5.00612 -255.036 -120.974 -21.595 -120.974 -225.902 GPRESSURE: 2622400 85.8192 6.33522 -15.369 30.4848 -185.101 -108.182 -74.8411 -112.754 -180.194 PRESSAVG: 2622400 0.597264 -31.3138 25.9439 -31.3138 23.9134 -13.8304 25.9439 -13.8303 6.57864 GPRESSAVG: 2622400 0.26616 -29.87 26.5024 -30.7004 24.6365 -12.7303 23.8717 -15.22 6.39506 TIMING: 2622400 CPU: 7599.37, 0.00288205/step Wall: 7599.37, 0.00288205/step, 1.90344 hours remaining, 207.890625 MB of memory in use. ENERGY: 2622400 730.5255 2118.8037 1961.8676 112.1303 -205888.0196 17546.0492 0.0000 0.0000 34230.4995 -149188.1436 298.9435 -183418.6432 -149091.0595 299.0923 -123.2962 -93.1587 558665.8740 10.3631 10.4326 PRESSURE: 2622600 17.9775 208.309 -27.526 208.309 -170.69 -79.513 -27.5269 -79.5127 -26.2308 GPRESSURE: 2622600 61.5778 194.606 -59.8421 165.261 -135.393 32.8086 15.8251 -134.379 -6.34408 PRESSAVG: 2622600 64.9644 -24.1029 -24.7835 -24.1029 49.6375 12.5695 -24.7836 12.5694 -72.2009 GPRESSAVG: 2622600 65.4689 -24.7331 -24.3861 -24.5903 50.7903 13.0166 -23.7956 11.893 -73.3256 TIMING: 2622600 CPU: 7599.95, 0.00290252/step Wall: 7599.95, 0.00290252/step, 1.91679 hours remaining, 207.890625 MB of memory in use. ENERGY: 2622600 698.9916 2100.4252 1961.0854 110.6638 -206374.3165 17822.4833 0.0000 0.0000 34321.5518 -149359.1153 299.7386 -183680.6671 -149257.9193 299.1331 -59.6479 -26.7198 557439.3550 14.1337 14.3112 PRESSURE: 2622800 67.8941 148.423 -5.26752 148.424 -283.013 -26.0466 -5.26709 -26.0477 -245.36 GPRESSURE: 2622800 102.686 110.389 19.0021 131.658 -272.084 -72.6536 -20.6556 -48.122 -196.062 PRESSAVG: 2622800 43.208 7.44152 18.6279 7.44156 -4.88121 25.0118 18.628 25.0118 -63.0367 GPRESSAVG: 2622800 43.7817 9.47353 18.5859 6.26073 -6.17048 25.2668 18.686 24.7626 -62.3262 TIMING: 2622800 CPU: 7600.52, 0.00286979/step Wall: 7600.52, 0.00286979/step, 1.89502 hours remaining, 207.890625 MB of memory in use. ENERGY: 2622800 774.0278 2092.0349 1958.4965 98.1522 -206158.4788 17725.6965 0.0000 0.0000 34148.5511 -149361.5198 298.2278 -183510.0709 -149265.9616 298.8632 -153.4931 -121.8201 557822.3909 -8.2366 -8.2383 PRESSURE: 2623000 -85.3802 38.2719 -18.0159 38.2718 -48.8717 71.4364 -18.0157 71.438 163.569 GPRESSURE: 2623000 -77.7789 77.8127 32.4993 56.4231 33.1063 57.5955 -54.3188 200.481 170.558 PRESSAVG: 2623000 37.0615 8.79854 -41.9115 8.79849 94.119 31.7373 -41.9114 31.7373 -110.748 GPRESSAVG: 2623000 36.1873 8.46632 -40.6839 8.23094 96.0783 32.1094 -42.2464 32.5587 -111.095 TIMING: 2623000 CPU: 7601.1, 0.00287239/step Wall: 7601.1, 0.00287239/step, 1.89658 hours remaining, 207.890625 MB of memory in use. ENERGY: 2623000 739.8575 2162.7620 1942.9076 98.7956 -206062.1219 17708.3139 0.0000 0.0000 33972.9527 -149436.5326 296.6942 -183409.4853 -149343.1519 297.3946 9.7724 41.9618 556307.8337 6.8109 7.0570 PRESSURE: 2623200 -76.1347 -79.4486 -29.8233 -79.449 -131.763 -1.11046 -29.8247 -1.11148 -29.788 GPRESSURE: 2623200 -63.5324 -66.2547 -15.7823 -174.057 -14.573 -37.7462 -107.233 -33.4242 -60.6788 PRESSAVG: 2623200 59.0547 -25.2006 -19.0091 -25.2006 10.807 28.4755 -19.0089 28.4755 -35.8626 GPRESSAVG: 2623200 59.361 -24.2128 -19.7666 -23.1738 10.9986 28.1367 -20.4868 26.5895 -36.7099 TIMING: 2623200 CPU: 7601.68, 0.00288641/step Wall: 7601.68, 0.00288641/step, 1.90567 hours remaining, 207.890625 MB of memory in use. ENERGY: 2623200 795.9329 2067.1404 1947.2399 118.1220 -206269.8590 17824.6314 0.0000 0.0000 34258.8971 -149257.8952 299.1915 -183516.7923 -149162.0763 298.7821 -79.2286 -46.2614 557165.4334 11.3330 11.2166 PRESSURE: 2623400 -67.4005 -65.5982 14.9321 -65.5995 -21.1981 23.4725 14.9322 23.4734 -126.66 GPRESSURE: 2623400 23.1602 -56.1009 19.8308 -32.7602 -31.4609 17.9404 -1.68055 23.4396 -121.394 PRESSAVG: 2623400 109.024 -0.961641 4.61569 -0.96165 8.60018 58.6086 4.61574 58.6086 -107.523 GPRESSAVG: 2623400 108.539 -0.480956 4.00293 -4.38264 8.16835 59.0876 7.27918 59.1717 -106.336 TIMING: 2623400 CPU: 7602.25, 0.00287352/step Wall: 7602.25, 0.00287352/step, 1.897 hours remaining, 207.890625 MB of memory in use. ENERGY: 2623400 766.7256 2055.8524 1955.7929 118.9703 -205816.2733 17691.2914 0.0000 0.0000 34131.3681 -149096.2726 298.0777 -183227.6407 -149001.5673 298.5825 -71.7529 -43.2316 557949.5400 3.3669 3.4571 PRESSURE: 2623600 -158.867 -8.49407 -105.718 -8.4936 -87.3395 139.767 -105.718 139.766 66.7005 GPRESSURE: 2623600 -102.103 3.4503 -63.3817 -220.338 -25.3584 105.983 -136.149 132.907 59.3544 PRESSAVG: 2623600 17.5077 -14.9134 14.3695 -14.9133 -16.9548 12.4679 14.3696 12.4678 1.84257 GPRESSAVG: 2623600 18.0689 -16.3823 15.6888 -14.0682 -18.1935 10.885 10.7601 14.2201 2.4768 TIMING: 2623600 CPU: 7602.83, 0.00287717/step Wall: 7602.83, 0.00287717/step, 1.89925 hours remaining, 207.890625 MB of memory in use. ENERGY: 2623600 779.2878 2171.0581 1964.8506 119.6339 -206379.1529 17983.0035 0.0000 0.0000 34436.4529 -148924.8661 300.7421 -183361.3189 -148830.5409 299.3137 -59.8352 -22.7023 557703.7007 0.7985 0.7841 PRESSURE: 2623800 -167.958 1.64923 48.1122 1.65071 -11.5635 -87.0343 48.1133 -87.0345 -98.5494 GPRESSURE: 2623800 -151.378 -20.0695 33.6286 7.91934 26.9492 -73.2512 33.5277 -9.46134 -72.7008 PRESSAVG: 2623800 38.9863 17.2794 33.2278 17.2794 -50.0789 18.3334 33.2279 18.3336 -10.2287 GPRESSAVG: 2623800 38.7863 16.6791 33.3287 18.5647 -49.1511 19.6663 35.5054 19.2554 -10.9241 TIMING: 2623800 CPU: 7603.4, 0.0028793/step Wall: 7603.4, 0.0028793/step, 1.9005 hours remaining, 207.890625 MB of memory in use. ENERGY: 2623800 808.7475 2090.6811 1981.9463 117.4418 -206056.2513 17776.4061 0.0000 0.0000 34379.7675 -148901.2611 300.2471 -183281.0285 -148805.1811 299.9931 -92.6903 -65.7098 556826.5971 -7.1071 -7.0963 PRESSURE: 2624000 -204.974 150.8 -95.9194 150.8 148.957 -25.8501 -95.9198 -25.8499 -13.4581 GPRESSURE: 2624000 -99.661 120.127 -44.1723 104.084 136.617 -54.1871 -172.572 19.457 -17.5874 PRESSAVG: 2624000 -54.1152 -9.07751 -1.5167 -9.07748 97.0811 -32.5865 -1.51666 -32.5865 -8.89299 GPRESSAVG: 2624000 -53.3704 -9.96849 -3.16941 -8.12341 95.8083 -32.0958 -2.22577 -32.6293 -8.38711 TIMING: 2624000 CPU: 7603.98, 0.00288716/step Wall: 7603.98, 0.00288716/step, 1.90552 hours remaining, 207.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2624000 762.1428 2114.0677 1935.5473 114.1001 -205899.3995 17693.2219 0.0000 0.0000 34250.4026 -149029.9171 299.1173 -183280.3197 -148942.1337 299.8861 -23.1584 6.4562 557579.8192 11.3576 11.3502 PRESSURE: 2624200 -70.2004 -51.5069 -166.818 -51.5049 -1.02549 115.082 -166.818 115.082 -24.038 GPRESSURE: 2624200 12.3681 -38.3257 -204.95 -31.0081 -18.1696 13.669 -105.522 190.533 21.8516 PRESSAVG: 2624200 -42.1495 30.9132 -11.4242 30.9132 50.9503 -7.73376 -11.4241 -7.7338 -0.616712 GPRESSAVG: 2624200 -44.0865 32.1848 -12.2747 28.2033 52.9879 -8.1289 -8.8535 -8.55126 -0.382476 TIMING: 2624200 CPU: 7604.56, 0.00289823/step Wall: 7604.56, 0.00289823/step, 1.91267 hours remaining, 207.890625 MB of memory in use. ENERGY: 2624200 765.4157 2114.1294 1943.6583 94.7670 -206486.4773 17916.4521 0.0000 0.0000 34351.9304 -149300.1244 300.0040 -183652.0547 -149198.6828 299.6252 -31.7547 5.3500 557149.5112 2.7280 2.8397 LDB: ============= START OF LOAD BALANCING ============== 7607.94 LDB: ============== END OF LOAD BALANCING =============== 7607.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7607.95 LDB: ============= START OF LOAD BALANCING ============== 7608.24 LDB: Largest compute 4800 load 0.025378 is 21.5% of average load 0.117965 LDB: Average compute 0.001745 is 1.5% of average load 0.117965 LDB: TIME 7608.24 LOAD: AVG 0.117965 MAX 0.179271 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.684 MB LDB: TIME 7608.24 LOAD: AVG 0.117965 MAX 0.179271 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: TIME 7608.24 LOAD: AVG 0.117965 MAX 0.179271 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7608.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7608.24 PRESSURE: 2624400 -19.8125 182.168 -75.3655 182.169 -16.528 -71.5177 -75.3652 -71.5179 48.2515 GPRESSURE: 2624400 -0.850179 167.68 -97.9022 102.023 79.9802 -94.0841 -108.118 -60.9253 39.6053 PRESSAVG: 2624400 -44.159 -18.7785 -51.885 -18.7785 19.9392 26.181 -51.8851 26.1809 32.442 GPRESSAVG: 2624400 -43.3757 -18.4089 -49.3248 -17.1858 19.9942 26.5599 -56.5006 25.338 31.4509 TIMING: 2624400 CPU: 7605.15, 0.00295112/step Wall: 7605.15, 0.00295112/step, 1.94741 hours remaining, 209.230469 MB of memory in use. ENERGY: 2624400 746.7476 2049.7819 1946.8182 106.6174 -206271.2807 17871.2284 0.0000 0.0000 34270.0925 -149279.9947 299.2892 -183550.0872 -149181.5198 298.5814 3.9703 39.5785 557571.8963 2.7407 2.6898 PRESSURE: 2624600 -23.052 -56.0993 54.3006 -56.0999 109.023 125.492 54.301 125.491 97.7692 GPRESSURE: 2624600 76.023 -20.9675 15.2426 -216.263 97.0428 86.4529 120.83 162.251 104.008 PRESSAVG: 2624600 26.1726 -12.984 -3.05355 -12.984 56.323 9.4889 -3.05344 9.48896 -11.2311 GPRESSAVG: 2624600 25.0156 -12.3253 -2.64102 -13.9685 56.2972 7.9372 -2.74283 10.9171 -9.46539 TIMING: 2624600 CPU: 7605.73, 0.0028831/step Wall: 7605.73, 0.0028831/step, 1.90237 hours remaining, 209.230469 MB of memory in use. ENERGY: 2624600 754.0543 2116.5515 1913.5400 106.1461 -206649.5449 17998.3871 0.0000 0.0000 34272.5046 -149488.3613 299.3103 -183760.8659 -149394.7003 298.1960 61.2466 92.3578 557487.8894 23.7548 23.9491 PRESSURE: 2624800 58.7029 67.0051 109.39 67.0064 -111.106 -13.4649 109.389 -13.4644 181.627 GPRESSURE: 2624800 119.153 81.6468 147.741 92.6599 -98.9152 27.7835 71.0434 -28.6897 204.6 PRESSAVG: 2624800 67.6873 -31.5606 -12.7079 -31.5607 18.8029 39.7641 -12.7079 39.7639 -95.2446 GPRESSAVG: 2624800 68.356 -32.3388 -15.8001 -31.5691 18.9162 40.3176 -10.5162 38.748 -95.6489 TIMING: 2624800 CPU: 7606.31, 0.00290387/step Wall: 7606.31, 0.00290387/step, 1.91591 hours remaining, 209.230469 MB of memory in use. ENERGY: 2624800 754.4327 2087.1517 1951.7324 111.5513 -206325.4165 17672.8842 0.0000 0.0000 34295.0278 -149452.6365 299.5070 -183747.6643 -149359.6088 298.7537 43.0746 74.9459 555632.8649 -2.9181 -2.7923 PRESSURE: 2625000 -188.588 18.6233 -26.9564 18.6227 191.86 -123.218 -26.9566 -123.217 154.512 GPRESSURE: 2625000 -149.986 81.8449 -18.6987 -13.6589 220.944 -75.3406 -7.59102 -84.2195 187.386 PRESSAVG: 2625000 29.2678 -13.39 -16.7557 -13.39 31.5015 35.5734 -16.7556 35.5734 9.74242 GPRESSAVG: 2625000 29.0048 -12.7746 -14.7775 -11.8583 31.3629 35.3721 -18.7101 34.9353 10.2415 TIMING: 2625000 CPU: 7606.88, 0.00287584/step Wall: 7606.88, 0.00287584/step, 1.89726 hours remaining, 209.230469 MB of memory in use. ENERGY: 2625000 741.5648 2099.5302 1943.7291 107.4374 -206192.8640 17739.7020 0.0000 0.0000 34158.0866 -149402.8140 298.3111 -183560.9006 -149306.5702 299.3076 52.5946 86.1145 555670.5162 23.5039 23.5364 PRESSURE: 2625200 -57.6771 -95.7052 20.0265 -95.7048 368.248 -48.7428 20.0278 -48.7413 42.8158 GPRESSURE: 2625200 0.771247 -33.2796 43.011 -202.994 371.112 49.2404 37.4201 -74.0641 62.2185 PRESSAVG: 2625200 24.3951 19.4629 -56.9043 19.4629 -99.963 40.7297 -56.9042 40.7297 46.9999 GPRESSAVG: 2625200 24.263 18.8781 -56.9079 19.2473 -99.3479 41.7753 -55.5953 41.3981 46.2891 TIMING: 2625200 CPU: 7607.46, 0.00287055/step Wall: 7607.46, 0.00287055/step, 1.89361 hours remaining, 209.230469 MB of memory in use. ENERGY: 2625200 731.0604 2083.2298 1953.5697 109.0510 -206548.1187 17940.9626 0.0000 0.0000 34490.9068 -149239.3384 301.2177 -183730.2452 -149141.8847 299.2325 117.7957 144.7007 555772.6113 -9.5227 -9.5986 PRESSURE: 2625400 161.959 -96.2872 -70.7152 -96.2891 -16.5817 29.2931 -70.7144 29.2934 -119.714 GPRESSURE: 2625400 173.008 -36.3175 -87.3927 -62.1578 14.8468 -34.9825 -92.0625 40.5435 -68.7861 PRESSAVG: 2625400 -10.5524 1.92249 -45.7378 1.9224 29.8611 23.6759 -45.7379 23.6759 -11.5208 GPRESSAVG: 2625400 -10.2699 2.38472 -45.4081 1.81604 29.4179 23.0231 -44.908 24.1011 -10.4849 TIMING: 2625400 CPU: 7608.03, 0.00288525/step Wall: 7608.03, 0.00288525/step, 1.90314 hours remaining, 209.230469 MB of memory in use. ENERGY: 2625400 744.7046 2069.5832 1951.6594 110.0886 -206064.8190 17676.8196 0.0000 0.0000 34212.4885 -149299.4751 298.7862 -183511.9636 -149199.7399 299.3301 8.5545 39.6895 556469.6855 2.5960 2.8877 PRESSURE: 2625600 44.1158 -18.3508 79.7353 -18.3506 104.057 15.4519 79.7346 15.453 -15.8093 GPRESSURE: 2625600 54.4186 33.7092 172.151 -38.1747 142.064 -13.8031 -23.3795 100.555 32.7861 PRESSAVG: 2625600 -40.2681 -34.1777 -37.0625 -34.1777 40.4358 51.9654 -37.0625 51.9654 -50.2986 GPRESSAVG: 2625600 -39.2536 -35.3382 -38.9272 -34.1416 40.4141 51.2088 -36.0491 52.0411 -51.4078 TIMING: 2625600 CPU: 7608.61, 0.00289169/step Wall: 7608.61, 0.00289169/step, 1.90723 hours remaining, 209.230469 MB of memory in use. ENERGY: 2625600 752.0052 2058.5562 1965.1250 109.7774 -206602.2277 17978.3371 0.0000 0.0000 34433.4194 -149305.0074 300.7156 -183738.4268 -149211.0589 299.0328 44.1213 76.4230 557052.0513 -16.7103 -16.7491 PRESSURE: 2625800 -132.748 123.237 -60.3968 123.238 29.2845 -92.2006 -60.397 -92.203 -39.1548 GPRESSURE: 2625800 -61.0625 87.4836 -123.613 149.071 29.9019 -97.1461 -112.903 -20.8633 -12.3586 PRESSAVG: 2625800 -23.2076 47.1355 17.2443 47.1355 51.6042 -19.7265 17.2443 -19.7266 19.968 GPRESSAVG: 2625800 -24.4859 48.0487 16.7034 47.7138 51.2913 -18.151 18.0903 -20.738 21.8933 TIMING: 2625800 CPU: 7609.19, 0.00289237/step Wall: 7609.19, 0.00289237/step, 1.90752 hours remaining, 209.230469 MB of memory in use. ENERGY: 2625800 757.7609 2118.5283 1954.9608 118.2556 -206081.0452 17612.5634 0.0000 0.0000 34310.0601 -149208.9161 299.6383 -183518.9762 -149111.3608 299.0726 -47.5395 -14.5064 555906.1975 16.1215 16.2329 PRESSURE: 2626000 22.6298 318.144 4.61193 318.144 -72.571 178.579 4.61228 178.581 -62.3646 GPRESSURE: 2626000 66.7692 344.232 -28.3131 290.931 -51.0343 220.425 -19.0355 140.318 -38.0757 PRESSAVG: 2626000 -18.4671 2.05076 1.96525 2.05076 16.9712 20.7129 1.96529 20.7129 33.8148 GPRESSAVG: 2626000 -17.2903 2.86263 2.85762 0.727275 16.972 19.6123 0.667503 21.9317 32.4139 TIMING: 2626000 CPU: 7609.77, 0.00289374/step Wall: 7609.77, 0.00289374/step, 1.90826 hours remaining, 209.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2626000 765.6032 2100.9491 1961.3998 110.9678 -206404.2232 17839.7088 0.0000 0.0000 34265.6522 -149359.9424 299.2505 -183625.5946 -149255.6498 299.7105 -37.4353 -7.4469 556897.5359 10.7730 10.6985 PRESSURE: 2626200 81.798 25.496 88.4844 25.4947 101.194 14.9704 88.4842 14.9721 130.835 GPRESSURE: 2626200 104.676 41.6187 85.2446 -9.83096 131.402 -113.357 143.826 3.05024 183.101 PRESSAVG: 2626200 -64.1827 38.9789 57.7174 38.979 14.5799 36.6058 57.7173 36.6059 40.0306 GPRESSAVG: 2626200 -64.6713 36.8918 58.1036 38.7655 13.401 37.8261 56.8069 34.8372 41.9732 TIMING: 2626200 CPU: 7610.34, 0.00287215/step Wall: 7610.34, 0.00287215/step, 1.89387 hours remaining, 209.230469 MB of memory in use. ENERGY: 2626200 784.6338 2055.6075 1963.1942 124.1804 -206393.3058 17861.5291 0.0000 0.0000 34513.0282 -149091.1326 301.4109 -183604.1608 -148994.4965 299.5987 104.6092 139.7263 555258.6032 -3.1907 -3.0990 PRESSURE: 2626400 9.75201 11.9741 -122.373 11.9748 -43.2926 108.611 -122.373 108.612 -81.2254 GPRESSURE: 2626400 -13.9171 23.5882 -74.7801 16.4648 -40.5135 136.892 -75.7869 144.127 41.7638 PRESSAVG: 2626400 29.1505 22.3759 18.4559 22.376 45.4151 28.1409 18.456 28.1409 -11.3381 GPRESSAVG: 2626400 28.7463 22.991 19.926 25.2699 47.6302 26.6986 18.2864 30.5453 -13.6389 TIMING: 2626400 CPU: 7610.92, 0.0028783/step Wall: 7610.92, 0.0028783/step, 1.89776 hours remaining, 209.230469 MB of memory in use. ENERGY: 2626400 770.4763 2120.1494 1928.5682 114.9018 -206198.9048 17814.9457 0.0000 0.0000 34406.6963 -149043.1671 300.4822 -183449.8634 -148941.2240 299.9217 -38.2553 -4.2223 557914.6033 21.0758 20.9125 PRESSURE: 2626600 66.8708 9.30593 -110.407 9.30599 -90.4072 133.477 -110.406 133.476 -92.5843 GPRESSURE: 2626600 78.9483 6.66326 -163.926 66.026 -94.97 128.483 -101.912 118.543 2.00747 PRESSAVG: 2626600 -27.4319 32.8623 34.1814 32.8623 -2.01748 30.6209 34.1815 30.6208 21.2881 GPRESSAVG: 2626600 -27.2466 32.5481 30.6837 32.3203 -3.29961 30.2451 35.3556 30.0512 21.7756 TIMING: 2626600 CPU: 7611.5, 0.00289699/step Wall: 7611.5, 0.00289699/step, 1.90992 hours remaining, 209.230469 MB of memory in use. ENERGY: 2626600 743.7499 2103.3568 1964.6163 108.9772 -206020.0611 17702.2539 0.0000 0.0000 34305.5889 -149091.5181 299.5992 -183397.1070 -148993.1452 300.0272 -38.7069 -4.6714 559304.5489 -2.7204 -2.9235 PRESSURE: 2626800 112.993 -139.339 27.2298 -139.339 53.3887 188.163 27.2303 188.162 -157.121 GPRESSURE: 2626800 157.832 -184.114 67.8063 -198.685 83.4661 218.53 55.1944 103.834 -134.272 PRESSAVG: 2626800 21.0126 -42.5638 6.21036 -42.5638 23.7861 28.3782 6.21036 28.3782 -35.185 GPRESSAVG: 2626800 21.4397 -40.4397 8.37393 -43.4956 23.0337 27.4589 4.46936 27.3702 -34.6291 TIMING: 2626800 CPU: 7612.07, 0.00288491/step Wall: 7612.07, 0.00288491/step, 1.9018 hours remaining, 209.230469 MB of memory in use. ENERGY: 2626800 751.6060 2082.3639 1975.0109 124.0152 -206045.1149 17728.4732 0.0000 0.0000 34348.7860 -149034.8597 299.9765 -183383.6456 -148935.0105 299.8979 3.0868 35.6753 558079.0411 3.2045 3.2814 PRESSURE: 2627000 4.6971 38.9804 -65.0301 38.9803 27.8791 15.1268 -65.0296 15.125 253.984 GPRESSURE: 2627000 -1.85282 -17.8654 15.7907 44.8347 30.5147 98.69 -57.3241 -95.6745 350.927 PRESSAVG: 2627000 2.74459 -43.6742 -0.710531 -43.6743 31.7794 38.5535 -0.710494 38.5534 -15.8893 GPRESSAVG: 2627000 2.54743 -42.5706 0.912924 -47.2074 32.0552 39.7935 -1.20456 38.2529 -15.897 TIMING: 2627000 CPU: 7612.65, 0.00289466/step Wall: 7612.65, 0.00289466/step, 1.90806 hours remaining, 209.230469 MB of memory in use. ENERGY: 2627000 771.2671 2107.6961 1976.0768 115.0524 -206402.5925 18050.9373 0.0000 0.0000 34126.5029 -149255.0599 298.0352 -183381.5628 -149156.2445 299.2109 95.5201 126.5298 557852.2316 6.2116 6.2352 PRESSURE: 2627200 91.6367 99.772 -217.404 99.7718 72.0309 16.2123 -217.404 16.2106 224.855 GPRESSURE: 2627200 161.547 142.877 -244.106 7.72516 75.8557 9.09843 -227.788 -25.5125 247.319 PRESSAVG: 2627200 59.2178 22.8969 -44.0814 22.8968 -53.1052 18.8082 -44.0815 18.8082 73.1609 GPRESSAVG: 2627200 59.1791 22.6766 -44.914 23.8947 -53.1309 19.2641 -43.6612 18.3088 73.1651 TIMING: 2627200 CPU: 7613.23, 0.00288108/step Wall: 7613.23, 0.00288107/step, 1.89895 hours remaining, 209.230469 MB of memory in use. ENERGY: 2627200 755.8719 2057.9059 1969.2860 123.9675 -206449.7180 18059.7085 0.0000 0.0000 34396.5685 -149086.4097 300.3938 -183482.9782 -148990.8734 298.9876 129.5076 161.5739 557004.1503 26.4245 26.4044 PRESSURE: 2627400 -89.2464 -48.2678 -26.3755 -48.2681 -40.8268 -19.5294 -26.3757 -19.5291 134.554 GPRESSURE: 2627400 -18.6779 0.578011 6.23072 -37.9704 -15.2207 -38.6078 -43.8227 0.875359 136.843 PRESSAVG: 2627400 -29.1004 7.66916 25.9756 7.66924 -37.0661 -0.152281 25.9755 -0.152322 57.1824 GPRESSAVG: 2627400 -27.788 7.62273 25.8837 10.3599 -37.3112 1.46545 26.2384 -2.23434 56.49 TIMING: 2627400 CPU: 7613.81, 0.00288981/step Wall: 7613.81, 0.00288981/step, 1.90455 hours remaining, 209.230469 MB of memory in use. ENERGY: 2627400 758.6745 2098.0561 1969.4345 106.4489 -206127.8438 17735.7663 0.0000 0.0000 34355.6329 -149103.8306 300.0363 -183459.4635 -148999.7298 298.8497 1.4937 34.3150 556918.4573 -2.9947 -2.8697 PRESSURE: 2627600 -117.974 -22.2445 -16.9271 -22.2435 0.0861349 -95.5699 -16.9286 -95.5702 -62.4125 GPRESSURE: 2627600 -14.3077 -10.7104 -20.1425 -86.4647 3.98073 -130.018 11.5446 -101.214 -65.5798 PRESSAVG: 2627600 -18.184 19.8416 57.0508 19.8416 35.232 4.82717 57.0508 4.82724 -3.08933 GPRESSAVG: 2627600 -19.6729 16.4136 57.3752 20.4202 36.2347 2.11793 56.9754 7.20613 -2.91689 TIMING: 2627600 CPU: 7614.39, 0.00291574/step Wall: 7614.39, 0.00291574/step, 1.92147 hours remaining, 209.230469 MB of memory in use. ENERGY: 2627600 762.6928 2108.6572 1945.3897 116.1695 -205837.4368 17702.4834 0.0000 0.0000 34178.4628 -149023.5814 298.4890 -183202.0443 -148926.8411 299.0312 -60.1000 -25.3023 558875.0900 4.6529 4.5483 PRESSURE: 2627800 -179.314 50.268 168.522 50.2679 -44.1263 -176.847 168.521 -176.848 -13.3753 GPRESSURE: 2627800 -163.444 0.176853 146.615 52.417 24.1652 -194.676 101.127 -180.623 6.25323 PRESSAVG: 2627800 -25.3744 -11.0791 -0.121202 -11.0789 -19.6529 12.7618 -0.121218 12.7618 32.4431 GPRESSAVG: 2627800 -25.019 -8.81681 -0.405169 -12.2797 -19.553 11.8931 -0.594492 12.5632 31.8534 TIMING: 2627800 CPU: 7614.97, 0.00290715/step Wall: 7614.97, 0.00290715/step, 1.91565 hours remaining, 209.230469 MB of memory in use. ENERGY: 2627800 766.2284 2070.8250 1979.9543 100.4435 -205841.9669 17706.2694 0.0000 0.0000 34167.3607 -149050.8857 298.3921 -183218.2463 -148951.2964 299.4053 -78.9385 -44.3420 557229.2848 -4.1947 -4.2395 PRESSURE: 2628000 222.651 92.2188 164.431 92.2178 -143.179 46.1981 164.432 46.1978 -338.251 GPRESSURE: 2628000 177.047 112.316 124.352 88.4029 -70.672 24.7026 140.519 -62.6299 -268.838 PRESSAVG: 2628000 -14.0607 11.2641 13.75 11.264 60.3302 24.3009 13.7499 24.3009 -37.7547 GPRESSAVG: 2628000 -13.7826 11.8931 13.3733 11.4851 59.9605 27.8649 13.2998 23.3609 -37.4067 TIMING: 2628000 CPU: 7615.55, 0.00288117/step Wall: 7615.55, 0.00288117/step, 1.89837 hours remaining, 209.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2628000 788.3486 2028.7285 1962.7011 113.9657 -206031.9301 17911.8112 0.0000 0.0000 33912.0114 -149314.3635 296.1620 -183226.3749 -149223.8818 298.6491 -86.2597 -54.1544 559208.4142 2.8383 2.9237 PRESSURE: 2628200 -75.4673 11.0861 3.33331 11.0846 57.9766 110.273 3.33228 110.275 -225.253 GPRESSURE: 2628200 -82.0767 16.7587 8.57676 -11.9415 99.973 118.923 -59.4638 123.568 -171.146 PRESSAVG: 2628200 -8.05158 -51.7213 29.5894 -51.7213 42.2641 -1.82023 29.5893 -1.82023 -24.4766 GPRESSAVG: 2628200 -9.03399 -54.6539 29.2155 -48.3732 41.6961 -3.61941 30.5735 -0.857176 -23.3639 TIMING: 2628200 CPU: 7616.13, 0.00290006/step Wall: 7616.13, 0.00290006/step, 1.91066 hours remaining, 209.230469 MB of memory in use. ENERGY: 2628200 803.5667 2035.9319 1961.9577 121.9956 -205862.9262 17651.1596 0.0000 0.0000 34317.6913 -148970.6233 299.7049 -183288.3146 -148879.5958 299.2657 -80.9147 -51.0832 556351.5185 3.2453 3.0994 LDB: ============= START OF LOAD BALANCING ============== 7619.52 LDB: ============== END OF LOAD BALANCING =============== 7619.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7619.52 LDB: ============= START OF LOAD BALANCING ============== 7619.81 LDB: Largest compute 4800 load 0.025255 is 21.4% of average load 0.118030 LDB: Average compute 0.001743 is 1.5% of average load 0.118030 LDB: TIME 7619.81 LOAD: AVG 0.11803 MAX 0.182924 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.492 MB LDB: TIME 7619.81 LOAD: AVG 0.11803 MAX 0.182924 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.598 MB LDB: TIME 7619.81 LOAD: AVG 0.11803 MAX 0.182924 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7619.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7619.82 PRESSURE: 2628400 -138.825 -47.1027 -29.6817 -47.1031 -327.38 -29.2121 -29.6817 -29.2111 -413.402 GPRESSURE: 2628400 -175.976 -39.5959 45.3765 -4.28277 -261.906 -23.7678 -81.8831 -26.2114 -342.364 PRESSAVG: 2628400 32.8565 -72.0069 -29.2577 -72.0069 9.67207 4.61861 -29.2578 4.61858 -26.1076 GPRESSAVG: 2628400 33.3956 -70.4269 -28.0994 -74.7524 10.6085 3.87801 -28.412 3.23291 -27.5109 TIMING: 2628400 CPU: 7616.72, 0.00297111/step Wall: 7616.72, 0.00297111/step, 1.9573 hours remaining, 210.457031 MB of memory in use. ENERGY: 2628400 777.0233 2071.9259 1918.8224 110.7056 -205551.2057 17339.8553 0.0000 0.0000 34316.7412 -149016.1320 299.6966 -183332.8732 -148916.6457 300.0239 -293.2022 -260.0819 557932.3682 5.4737 5.4977 PRESSURE: 2628600 -56.4204 61.7347 48.3695 61.7336 31.3123 46.5019 48.3697 46.5014 75.8562 GPRESSURE: 2628600 -18.7831 37.1669 38.3476 71.2683 66.8647 142.667 96.2204 9.44951 94.8926 PRESSAVG: 2628600 37.2775 -48.087 -8.19754 -48.087 -26.4649 65.5602 -8.19756 65.5602 -37.2091 GPRESSAVG: 2628600 38.2513 -49.519 -8.94338 -47.4921 -27.5635 65.6898 -7.88257 66.1535 -36.7647 TIMING: 2628600 CPU: 7617.3, 0.00289679/step Wall: 7617.3, 0.00289679/step, 1.90818 hours remaining, 210.457031 MB of memory in use. ENERGY: 2628600 748.3776 2127.2728 1927.0297 120.6587 -206056.9818 17578.6473 0.0000 0.0000 34518.0520 -149036.9437 301.4547 -183554.9956 -148934.7252 300.0751 16.9160 47.6581 555358.5670 -8.7988 -8.6923 PRESSURE: 2628800 79.7579 82.5975 -138.563 82.5967 34.6526 -130.184 -138.564 -130.184 -228.924 GPRESSURE: 2628800 89.5588 65.4345 -164.552 96.7854 63.9286 -59.2108 -92.2809 -140.21 -170.011 PRESSAVG: 2628800 -7.42094 -23.1961 -58.7507 -23.1959 17.5744 -11.5949 -58.7506 -11.5948 36.1502 GPRESSAVG: 2628800 -8.15994 -22.7755 -60.4724 -23.4858 17.9565 -8.9723 -58.1348 -12.7192 36.7457 TIMING: 2628800 CPU: 7617.88, 0.00287245/step Wall: 7617.88, 0.00287245/step, 1.89199 hours remaining, 210.457031 MB of memory in use. ENERGY: 2628800 745.0293 2042.7752 1941.5320 104.9481 -206474.2373 17887.3004 0.0000 0.0000 34697.9657 -149054.6865 303.0260 -183752.6523 -148961.6374 299.5614 -38.1711 -5.5078 555660.9757 15.4345 15.5141 PRESSURE: 2629000 -99.7293 88.4061 -81.3386 88.4079 -10.1346 46.1978 -81.339 46.197 81.1052 GPRESSURE: 2629000 -84.4626 171.172 -29.5749 44.5189 -4.29255 31.7788 -146.651 124.561 171.906 PRESSAVG: 2629000 -26.4752 17.9889 -44.6183 17.9888 39.649 30.2871 -44.6184 30.287 27.5483 GPRESSAVG: 2629000 -26.6642 17.9256 -44.9351 16.3265 40.2752 26.9509 -45.2526 31.8067 27.8969 TIMING: 2629000 CPU: 7618.46, 0.00289509/step Wall: 7618.46, 0.00289509/step, 1.90674 hours remaining, 210.457031 MB of memory in use. ENERGY: 2629000 740.8558 2114.7723 1940.1600 121.4451 -206140.2018 17849.8267 0.0000 0.0000 34254.0822 -149119.0598 299.1494 -183373.1420 -149020.5127 299.6812 -9.5863 27.7169 557276.7556 13.5740 13.8360 PRESSURE: 2629200 145.944 34.7558 -101.439 34.7564 -106.23 111.511 -101.438 111.51 -61.0275 GPRESSURE: 2629200 185.835 -9.74792 -93.3837 111.588 -132.467 87.2333 -113.172 16.5971 10.7165 PRESSAVG: 2629200 -66.9322 -50.8791 -6.29928 -50.8792 51.7901 3.26972 -6.29939 3.26978 17.7791 GPRESSAVG: 2629200 -67.1125 -50.668 -3.40697 -50.2235 51.1506 5.29571 -7.35695 2.88298 18.2844 TIMING: 2629200 CPU: 7619.03, 0.00288168/step Wall: 7619.03, 0.00288168/step, 1.89775 hours remaining, 210.457031 MB of memory in use. ENERGY: 2629200 735.7913 2094.5308 1940.4643 116.6805 -205875.4801 17725.9505 0.0000 0.0000 34247.7451 -149014.3176 299.0941 -183262.0628 -148923.3011 299.3577 -7.1045 21.3617 557739.6115 0.8790 0.7742 PRESSURE: 2629400 -17.0953 163.945 167.822 163.945 -81.3321 -144.749 167.82 -144.749 49.4206 GPRESSURE: 2629400 25.145 85.899 140.446 187.658 -59.9282 -133.787 139.147 -152.695 75.3274 PRESSAVG: 2629400 -17.9721 23.8469 -2.89809 23.8469 -28.5428 11.4165 -2.89812 11.4164 6.86177 GPRESSAVG: 2629400 -18.6161 23.6922 -3.73124 23.2469 -29.347 10.9977 -0.821426 10.6754 7.02277 TIMING: 2629400 CPU: 7619.61, 0.00291201/step Wall: 7619.61, 0.00291201/step, 1.91756 hours remaining, 210.457031 MB of memory in use. ENERGY: 2629400 769.9729 2109.6778 1966.2270 105.5562 -206054.6565 17933.3348 0.0000 0.0000 34173.7874 -148996.1003 298.4482 -183169.8877 -148901.1011 299.6552 -16.3356 13.5148 557822.5324 -13.2177 -13.6468 PRESSURE: 2629600 158.214 49.4903 1.85262 49.4903 53.2224 -23.2827 1.85082 -23.2823 56.9578 GPRESSURE: 2629600 195.171 -48.5532 62.1868 135.684 123.513 49.2265 20.0633 66.3344 42.2061 PRESSAVG: 2629600 48.6454 55.2044 20.2384 55.2044 -32.2001 4.18041 20.2384 4.18053 31.6644 GPRESSAVG: 2629600 49.3781 53.9807 19.1742 56.6143 -32.437 2.24899 19.0146 6.17132 31.2407 TIMING: 2629600 CPU: 7620.19, 0.00288677/step Wall: 7620.19, 0.00288677/step, 1.90078 hours remaining, 210.457031 MB of memory in use. ENERGY: 2629600 746.9950 2078.1078 1951.8121 114.3448 -206304.5061 18018.7001 0.0000 0.0000 34294.0472 -149100.4990 299.4984 -183394.5463 -149010.9813 298.9359 89.4648 120.2965 557091.1359 16.0366 16.0606 PRESSURE: 2629800 -251.989 -112.604 67.2222 -112.604 45.8349 -123.046 67.2214 -123.045 -88.4126 GPRESSURE: 2629800 -209.227 -130.199 113.396 -109.414 56.3194 -124.86 30.1203 -123.378 -40.1444 PRESSAVG: 2629800 -41.9089 -14.7674 -8.59828 -14.7675 8.56436 -2.21282 -8.5983 -2.2128 31.5352 GPRESSAVG: 2629800 -42.9348 -13.6931 -8.13976 -14.7583 8.79817 -0.734546 -8.44072 -3.29599 31.9978 TIMING: 2629800 CPU: 7620.77, 0.00286646/step Wall: 7620.77, 0.00286646/step, 1.88724 hours remaining, 210.457031 MB of memory in use. ENERGY: 2629800 726.2538 2012.4055 1961.8690 122.2874 -205787.6139 17728.9498 0.0000 0.0000 34263.4974 -148972.3510 299.2316 -183235.8484 -148877.2900 299.1156 -98.1889 -64.3508 559459.6793 -0.6031 -0.7130 PRESSURE: 2630000 -25.9589 50.3746 116.4 50.3742 136.888 91.3018 116.4 91.3013 -367.632 GPRESSURE: 2630000 -33.9868 -21.3799 109.509 57.0266 172.044 137.891 99.1116 104.174 -303.348 PRESSAVG: 2630000 -41.5194 -42.4674 -23.13 -42.4674 41.0886 -28.4616 -23.1301 -28.4615 27.3493 GPRESSAVG: 2630000 -41.5286 -41.2666 -23.1535 -45.0073 42.7816 -28.3894 -21.5648 -26.9694 25.8319 TIMING: 2630000 CPU: 7621.34, 0.00286887/step Wall: 7621.34, 0.00286887/step, 1.88868 hours remaining, 210.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2630000 755.2345 2092.7667 1939.5279 106.4679 -205588.2188 17594.4137 0.0000 0.0000 34118.6278 -148981.1802 297.9665 -183099.8081 -148889.5257 298.9725 -85.5675 -55.0970 559262.9825 8.9728 9.0283 PRESSURE: 2630200 -101.368 -68.641 -38.7562 -68.6405 124.775 140.715 -38.7564 140.717 -32.0373 GPRESSURE: 2630200 -61.0234 15.146 -26.59 -56.6772 119.495 109.94 -51.187 150.643 37.6394 PRESSAVG: 2630200 -32.9532 -40.6238 -16.1892 -40.6239 24.6506 6.06449 -16.1892 6.06445 -20.151 GPRESSAVG: 2630200 -32.9224 -42.4913 -14.2187 -39.0046 23.335 5.77526 -19.1793 4.1422 -18.731 TIMING: 2630200 CPU: 7621.92, 0.00287967/step Wall: 7621.92, 0.00287967/step, 1.89562 hours remaining, 210.457031 MB of memory in use. ENERGY: 2630200 757.0579 2074.3965 1938.5528 128.8435 -206240.5252 17958.9671 0.0000 0.0000 34292.5780 -149090.1294 299.4856 -183382.7074 -149003.0928 299.6316 -2.8766 32.0370 559254.3566 -9.4845 -9.4394 PRESSURE: 2630400 -96.7269 -55.485 53.3042 -55.4856 -233.855 -20.6051 53.3036 -20.6064 48.1184 GPRESSURE: 2630400 6.89145 -69.3923 18.5697 -114.889 -150.178 -103.241 46.9711 -32.895 -48.7923 PRESSAVG: 2630400 30.2556 10.6878 -14.9358 10.6878 -11.6839 -12.6915 -14.9358 -12.6915 -5.55109 GPRESSAVG: 2630400 30.8164 10.7478 -16.305 11.4803 -11.6383 -13.1883 -13.0383 -11.3074 -5.9217 TIMING: 2630400 CPU: 7622.5, 0.00290552/step Wall: 7622.5, 0.00290552/step, 1.91248 hours remaining, 210.457031 MB of memory in use. ENERGY: 2630400 705.0538 2042.1230 1924.8628 129.3424 -205518.6133 17461.2938 0.0000 0.0000 34194.8639 -149061.0736 298.6323 -183255.9376 -148973.9940 299.4305 -94.1544 -64.0262 558916.6109 4.3402 4.4188 PRESSURE: 2630600 155.924 49.8022 126.035 49.8019 17.5011 13.0144 126.035 13.0155 151.709 GPRESSURE: 2630600 187.721 2.15054 199.459 119.256 61.6625 -10.8868 212.829 -32.4582 176.028 PRESSAVG: 2630600 21.4268 27.2011 34.5395 27.201 -22.4749 -72.6915 34.5395 -72.6914 27.8619 GPRESSAVG: 2630600 22.1271 27.8819 35.5681 28.1126 -22.7765 -72.4234 34.3643 -74.8265 27.9556 TIMING: 2630600 CPU: 7623.07, 0.00287242/step Wall: 7623.07, 0.00287242/step, 1.89053 hours remaining, 210.457031 MB of memory in use. ENERGY: 2630600 743.0208 2080.5803 1935.9223 111.5899 -206473.2549 18027.1852 0.0000 0.0000 34409.1189 -149165.8374 300.5034 -183574.9564 -149069.0766 299.5512 108.3782 141.8039 557081.5477 8.9379 9.1021 PRESSURE: 2630800 227.815 33.4478 15.131 33.4486 0.101889 147.08 15.1302 147.081 272.387 GPRESSURE: 2630800 310.759 87.8511 -62.6696 -14.1823 52.7749 263.466 -1.85677 148.887 238.162 PRESSAVG: 2630800 -28.5829 12.1337 42.9562 12.1337 18.3058 -62.4774 42.9563 -62.4775 -22.102 GPRESSAVG: 2630800 -28.496 12.3972 43.5885 12.0835 17.1675 -61.3952 41.1964 -62.9841 -21.1925 TIMING: 2630800 CPU: 7623.65, 0.00287616/step Wall: 7623.65, 0.00287616/step, 1.89283 hours remaining, 210.457031 MB of memory in use. ENERGY: 2630800 742.4894 2067.9128 1943.5118 117.5153 -206610.6077 18131.4108 0.0000 0.0000 34550.5655 -149057.2020 301.7387 -183607.7676 -148960.1541 299.7557 166.7679 200.5651 557409.7893 -10.7930 -10.8403 PRESSURE: 2631000 -157.085 -58.2815 -119.344 -58.2825 125.177 -126.036 -119.345 -126.036 -151.686 GPRESSURE: 2631000 -119.769 -51.6786 -141.26 -59.9532 178.16 -126.721 -130.224 -176.455 -149.219 PRESSAVG: 2631000 33.837 -10.7179 14.037 -10.7179 39.3478 -39.3407 14.037 -39.3408 12.6354 GPRESSAVG: 2631000 33.8303 -9.1124 11.9631 -13.9168 40.2136 -38.4292 16.2297 -40.0149 11.5418 TIMING: 2631000 CPU: 7624.23, 0.00290473/step Wall: 7624.23, 0.00290473/step, 1.91147 hours remaining, 210.457031 MB of memory in use. ENERGY: 2631000 754.1196 2100.8330 1968.1050 104.2054 -205659.6822 17434.4111 0.0000 0.0000 34259.9356 -149038.0724 299.2005 -183298.0080 -148942.2348 299.6350 -61.1978 -30.2759 556005.0665 28.6067 28.5286 PRESSURE: 2631200 -46.6114 27.3294 76.0177 27.3297 -414.29 -98.3732 76.0176 -98.373 -48.3786 GPRESSURE: 2631200 61.1413 -46.0963 53.1874 40.5188 -418.016 -53.1111 105.895 -61.7141 -45.6985 PRESSAVG: 2631200 11.6187 0.0984374 -60.0063 0.0983627 67.4716 9.87775 -60.0064 9.87778 -51.322 GPRESSAVG: 2631200 11.8428 -0.76906 -60.0034 3.63259 66.6903 7.45189 -60.6838 11.9437 -50.2844 TIMING: 2631200 CPU: 7624.81, 0.0029074/step Wall: 7624.81, 0.0029074/step, 1.91307 hours remaining, 210.457031 MB of memory in use. ENERGY: 2631200 766.4751 2061.5693 1946.9606 128.6166 -205847.1090 17538.1849 0.0000 0.0000 34309.7451 -149095.5574 299.6355 -183405.3025 -149003.2634 299.9324 -169.7599 -134.1912 557035.2231 9.2561 9.4163 PRESSURE: 2631400 -38.3821 14.7106 100.148 14.7102 237.739 108.103 100.148 108.104 51.6654 GPRESSURE: 2631400 -56.8889 -22.3392 85.1807 25.2016 279.67 145.707 126.775 115.391 127.64 PRESSAVG: 2631400 67.9992 -9.72771 -30.8591 -9.72777 -111.73 -10.6609 -30.8592 -10.6607 9.76732 GPRESSAVG: 2631400 67.5733 -9.24831 -30.4379 -11.8348 -110.472 -11.8126 -32.1863 -9.1796 9.01456 TIMING: 2631400 CPU: 7625.39, 0.00289729/step Wall: 7625.39, 0.00289729/step, 1.90626 hours remaining, 210.523438 MB of memory in use. ENERGY: 2631400 779.9463 2087.7420 1938.1018 118.6965 -206212.4749 17845.3497 0.0000 0.0000 34225.8566 -149216.7820 298.9029 -183442.6387 -149123.8539 298.7433 83.6741 116.8070 556380.8189 -11.3213 -11.2946 PRESSURE: 2631600 192.784 94.9087 -44.3685 94.9079 -100.592 -205.033 -44.3688 -205.034 41.2831 GPRESSURE: 2631600 215.567 44.9482 -19.1459 43.8221 -81.1831 -80.8247 -18.2495 -171.636 98.1972 PRESSAVG: 2631600 61.4011 -30.1384 -14.0968 -30.1384 -102.841 4.24125 -14.0968 4.24129 -17.9136 GPRESSAVG: 2631600 62.3188 -32.0284 -14.2974 -28.5644 -103.91 5.11947 -12.8716 2.52398 -17.4876 TIMING: 2631600 CPU: 7625.97, 0.00290751/step Wall: 7625.97, 0.00290751/step, 1.91282 hours remaining, 210.523438 MB of memory in use. ENERGY: 2631600 762.0452 2083.4852 1969.7427 119.2945 -206366.2466 17936.8592 0.0000 0.0000 34344.6791 -149150.1406 299.9406 -183494.8197 -149051.6307 299.5876 44.4916 77.5270 558107.8273 -19.7845 -19.6931 PRESSURE: 2631800 -153.139 92.2002 24.8808 92.2017 -25.6049 -15.2283 24.8791 -15.2282 84.2106 GPRESSURE: 2631800 -121.933 12.3606 32.3012 115.259 -50.671 -19.9562 -1.23174 39.0902 162.034 PRESSAVG: 2631800 56.2237 11.312 -5.71154 11.3119 -8.0475 -37.1755 -5.71154 -37.1754 -13.684 GPRESSAVG: 2631800 55.7993 11.8002 -6.62007 10.0238 -6.29494 -36.1372 -4.46004 -36.682 -14.3013 TIMING: 2631800 CPU: 7626.55, 0.00291219/step Wall: 7626.55, 0.00291219/step, 1.91574 hours remaining, 210.523438 MB of memory in use. ENERGY: 2631800 749.8698 2059.2182 1948.3217 128.6426 -206384.7424 17951.5303 0.0000 0.0000 34352.0910 -149195.0688 300.0054 -183547.1598 -149087.0720 299.8786 -31.5111 -3.5231 557519.4540 11.4974 11.7344 PRESSURE: 2632000 107.354 97.6401 46.9174 97.6404 -165.809 156.665 46.9186 156.665 -163.822 GPRESSURE: 2632000 152.744 117.565 34.3815 104.181 -114.178 199.199 67.503 134.623 -163.329 PRESSAVG: 2632000 -5.47346 -13.3332 9.92729 -13.3332 -33.2875 -12.8215 9.92724 -12.8215 28.7393 GPRESSAVG: 2632000 -5.2556 -12.5438 10.1449 -13.4524 -34.2976 -12.6309 10.4891 -13.9276 29.1938 TIMING: 2632000 CPU: 7627.13, 0.00287761/step Wall: 7627.13, 0.00287761/step, 1.89283 hours remaining, 210.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2632000 741.9643 2113.7826 1989.3747 113.7425 -206112.4195 17698.7686 0.0000 0.0000 34321.8302 -149132.9566 299.7411 -183454.7868 -149036.0452 299.0544 -74.0923 -41.5878 558088.8868 -3.3406 -3.4531 PRESSURE: 2632200 -126.947 -40.2261 -67.4096 -40.2264 -83.1356 136.958 -67.4099 136.959 -165.18 GPRESSURE: 2632200 -112.915 -62.3881 -29.7944 -35.0814 -79.72 191.615 8.4146 89.5267 -68.7749 PRESSAVG: 2632200 26.4688 32.8854 6.96877 32.8854 14.7321 16.2245 6.96876 16.2246 -26.2503 GPRESSAVG: 2632200 26.33 33.068 6.82061 32.9123 14.931 16.2351 4.43201 14.057 -26.4701 TIMING: 2632200 CPU: 7627.71, 0.00289248/step Wall: 7627.71, 0.00289248/step, 1.90245 hours remaining, 210.523438 MB of memory in use. ENERGY: 2632200 788.3179 2129.9025 1961.3973 119.6159 -206432.0982 17743.4619 0.0000 0.0000 34503.1748 -149186.2279 301.3248 -183689.4027 -149090.5801 299.7878 -125.0875 -87.1368 560066.5642 4.9835 4.9303 LDB: ============= START OF LOAD BALANCING ============== 7631.09 LDB: ============== END OF LOAD BALANCING =============== 7631.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7631.09 LDB: ============= START OF LOAD BALANCING ============== 7631.38 LDB: Largest compute 4800 load 0.026137 is 22.2% of average load 0.117891 LDB: Average compute 0.001742 is 1.5% of average load 0.117891 LDB: TIME 7631.38 LOAD: AVG 0.117891 MAX 0.1795 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.398 MB LDB: TIME 7631.38 LOAD: AVG 0.117891 MAX 0.1795 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 7631.38 LOAD: AVG 0.117891 MAX 0.1795 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 7631.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7631.39 PRESSURE: 2632400 -105.335 58.8688 -26.2865 58.8699 82.8464 189.153 -26.2847 189.154 -269.829 GPRESSURE: 2632400 -70.5256 95.6259 -69.5713 136.862 118.949 170.076 1.16092 199.24 -242.147 PRESSAVG: 2632400 24.3284 -8.53607 46.9375 -8.53619 -25.9258 30.0821 46.9374 30.0821 2.94901 GPRESSAVG: 2632400 24.4748 -11.0114 47.9505 -5.98523 -25.7272 32.2353 47.7526 31.3227 2.59882 TIMING: 2632400 CPU: 7628.29, 0.00293437/step Wall: 7628.29, 0.00293437/step, 1.92984 hours remaining, 208.980469 MB of memory in use. ENERGY: 2632400 770.9512 2149.3165 1937.1703 117.6456 -206112.3506 17898.1417 0.0000 0.0000 34225.9666 -149013.1586 298.9039 -183239.1252 -148918.7032 300.1970 -97.4392 -64.5746 559483.5244 0.4506 0.4488 PRESSURE: 2632600 44.7363 -62.401 -25.0879 -62.3997 -189.733 182.96 -25.0886 182.961 101.424 GPRESSURE: 2632600 100.587 -57.9005 -36.639 -65.9343 -171.288 127.569 -10.684 271.259 124.2 PRESSAVG: 2632600 10.6808 63.6504 30.1027 63.6504 48.4677 33.0879 30.1027 33.0878 -27.8579 GPRESSAVG: 2632600 10.7828 66.6915 29.4397 61.4553 47.7604 30.944 29.0743 34.5131 -27.1522 TIMING: 2632600 CPU: 7628.87, 0.00290246/step Wall: 7628.87, 0.00290246/step, 1.90869 hours remaining, 208.980469 MB of memory in use. ENERGY: 2632600 751.8369 2105.7687 1967.3921 112.1357 -205637.0603 17694.4133 0.0000 0.0000 34223.7795 -148781.7340 298.8848 -183005.5135 -148688.5188 300.4039 -14.5244 17.8331 558546.9679 10.4302 10.4637 PRESSURE: 2632800 -177.262 -12.8779 -64.5718 -12.8787 -322.254 -93.2998 -64.5715 -93.2996 -196.873 GPRESSURE: 2632800 -154.976 -112.829 -74.9954 -38.0233 -300.597 -91.5401 -18.2139 -92.6375 -137.48 PRESSAVG: 2632800 -2.22885 37.3178 -14.1994 37.3179 39.6236 -11.6485 -14.1994 -11.6486 1.07191 GPRESSAVG: 2632800 -1.74606 37.9036 -12.2368 36.099 40.6409 -13.5161 -14.0519 -12.5456 -0.539128 TIMING: 2632800 CPU: 7629.45, 0.00290161/step Wall: 7629.45, 0.00290161/step, 1.90797 hours remaining, 208.980469 MB of memory in use. ENERGY: 2632800 760.9797 2108.2080 1943.5219 94.4477 -205678.0894 17480.5591 0.0000 0.0000 34459.4378 -148830.9352 300.9428 -183290.3730 -148737.0170 300.6239 -232.1295 -197.6843 559203.1207 12.8222 12.7852 PRESSURE: 2633000 -91.8968 -13.4327 -201.943 -13.4328 -34.095 -84.6212 -201.943 -84.6232 33.1473 GPRESSURE: 2633000 -48.7642 34.8411 -222.536 -54.956 6.40676 -130.002 -224.942 -14.5722 36.4051 PRESSAVG: 2633000 -34.0085 -17.5311 -3.18296 -17.5312 54.9472 -30.8838 -3.18295 -30.8837 5.94718 GPRESSAVG: 2633000 -35.5126 -18.6621 -3.948 -18.975 54.4206 -26.1714 -3.51402 -32.492 7.32169 TIMING: 2633000 CPU: 7630.03, 0.00287622/step Wall: 7630.03, 0.00287622/step, 1.89112 hours remaining, 208.980469 MB of memory in use. ENERGY: 2633000 735.5540 2078.9873 1977.6185 118.7026 -205828.9517 17673.9475 0.0000 0.0000 34353.5401 -148890.6016 300.0180 -183244.1417 -148792.8290 299.8528 -30.9482 -1.9841 559268.9815 8.9620 8.7432 PRESSURE: 2633200 133.127 -34.2094 -124.58 -34.2081 4.18776 -84.447 -124.58 -84.4489 -93.0017 GPRESSURE: 2633200 139.463 5.13728 -127.97 -71.2614 -8.63835 -53.6404 -128.451 -114.73 13.3093 PRESSAVG: 2633200 2.91578 5.52946 17.0797 5.52948 37.6102 -22.9876 17.0796 -22.9876 -4.80286 GPRESSAVG: 2633200 2.44648 5.14591 18.3779 6.5095 38.7298 -23.8571 16.6101 -22.451 -5.34354 TIMING: 2633200 CPU: 7630.61, 0.0028883/step Wall: 7630.61, 0.0028883/step, 1.89889 hours remaining, 208.980469 MB of memory in use. ENERGY: 2633200 757.9914 2127.5255 1962.5626 123.4952 -206162.8937 17954.6262 0.0000 0.0000 34357.0200 -148879.6728 300.0484 -183236.6928 -148786.7192 300.5186 14.7709 48.0445 558236.4618 11.9077 11.9442 PRESSURE: 2633400 -21.2983 89.8295 -68.4387 89.8302 50.4922 -57.8902 -68.4383 -57.891 -83.2651 GPRESSURE: 2633400 13.3683 105.526 -116.527 37.4438 82.7653 -85.776 6.6623 5.26246 -49.9342 PRESSAVG: 2633400 23.4801 11.2229 -33.0781 11.2228 14.7564 -8.86335 -33.0781 -8.86342 -10.8084 GPRESSAVG: 2633400 22.8599 12.0925 -36.7033 14.4726 13.8329 -10.289 -31.5014 -8.2273 -9.39079 TIMING: 2633400 CPU: 7631.18, 0.00287842/step Wall: 7631.18, 0.00287842/step, 1.89224 hours remaining, 208.980469 MB of memory in use. ENERGY: 2633400 771.2117 2060.7664 1951.4458 120.3932 -206056.1033 17915.9257 0.0000 0.0000 34485.5959 -148750.7645 301.1713 -183236.3605 -148653.8814 300.2954 -18.0238 15.3998 559917.7383 9.1427 9.1007 PRESSURE: 2633600 207.151 71.2918 42.5337 71.2919 -146.084 -145.959 42.5344 -145.961 22.3777 GPRESSURE: 2633600 238.796 87.6866 101.19 14.0057 -140.208 -181.106 23.0875 -164.531 81.2699 PRESSAVG: 2633600 -1.68774 3.6 -32.2979 3.59994 46.4966 -10.3954 -32.2979 -10.3954 -52.6972 GPRESSAVG: 2633600 -0.607151 4.19911 -31.5943 1.05079 45.3446 -10.7003 -32.2846 -8.56542 -52.6452 TIMING: 2633600 CPU: 7631.75, 0.00286264/step Wall: 7631.75, 0.00286264/step, 1.88171 hours remaining, 208.980469 MB of memory in use. ENERGY: 2633600 755.6133 2023.3983 1956.1732 114.8219 -206081.6127 17798.7024 0.0000 0.0000 34543.8198 -148889.0839 301.6798 -183432.9037 -148791.5520 301.2579 27.8147 59.9525 559115.4285 -2.6295 -2.6359 PRESSURE: 2633800 -96.8421 -177.885 -69.7593 -177.885 -188.892 27.325 -69.7595 27.3231 -30.0241 GPRESSURE: 2633800 -53.1876 -108.338 -9.1726 -83.4165 -194.994 -4.93862 -136.936 31.2602 24 PRESSAVG: 2633800 -64.3904 -41.079 22.1718 -41.079 43.7988 -23.5715 22.1718 -23.5717 -20.5731 GPRESSAVG: 2633800 -63.7611 -42.8287 24.7807 -37.9157 43.0797 -23.3495 21.1404 -27.2055 -20.1102 TIMING: 2633800 CPU: 7632.33, 0.00289894/step Wall: 7632.33, 0.00289894/step, 1.90541 hours remaining, 208.980469 MB of memory in use. ENERGY: 2633800 719.3665 2021.7546 1955.1277 119.2621 -205385.7093 17377.2136 0.0000 0.0000 34445.2327 -148747.7521 300.8188 -183192.9848 -148651.1079 300.4250 -105.2529 -74.7272 557977.4394 -13.7216 -13.5972 PRESSURE: 2634000 -27.7215 -28.2374 74.8196 -28.2383 -223.386 -12.9616 74.8192 -12.9612 11.83 GPRESSURE: 2634000 0.67522 -4.1095 76.6089 0.140017 -132.709 13.1992 105.082 8.27764 10.9576 PRESSAVG: 2634000 -52.8583 46.3421 -2.29297 46.3421 75.8335 -6.94089 -2.293 -6.94098 -57.4851 GPRESSAVG: 2634000 -52.7943 47.2874 -3.21295 44.7856 77.1821 -7.60884 -2.65394 -4.06506 -58.5803 TIMING: 2634000 CPU: 7632.91, 0.00289525/step Wall: 7632.91, 0.00289525/step, 1.90282 hours remaining, 208.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2634000 741.0027 2146.9259 1914.5345 106.6200 -206419.1540 17995.5233 0.0000 0.0000 34498.5344 -149016.0132 301.2843 -183514.5477 -148920.4063 300.2218 -79.7591 -40.3586 559055.0244 -11.5033 -11.3975 PRESSURE: 2634200 -62.8191 -21.4735 14.3814 -21.4739 -187.198 -9.81695 14.3806 -9.81536 -0.231997 GPRESSURE: 2634200 -35.6856 5.44625 -48.6453 12.6378 -164.28 -49.7367 -12.8766 -49.7513 39.3958 PRESSAVG: 2634200 0.567636 0.159397 -21.7996 0.159375 5.65286 50.4732 -21.7995 50.4732 7.8782 GPRESSAVG: 2634200 0.0594233 0.665403 -21.0313 0.544043 6.04669 50.7183 -21.1642 51.6213 7.46724 TIMING: 2634200 CPU: 7633.49, 0.00287801/step Wall: 7633.49, 0.00287801/step, 1.89133 hours remaining, 208.980469 MB of memory in use. ENERGY: 2634200 764.3630 2078.4067 1944.2759 103.7738 -206032.2442 17847.9278 0.0000 0.0000 34311.0668 -148982.4301 299.6471 -183293.4970 -148886.2298 299.5322 -83.4163 -53.5233 559439.2431 4.6996 4.5245 PRESSURE: 2634400 144 -60.0928 93.5309 -60.0935 -30.4861 41.3547 93.5315 41.3557 220.781 GPRESSURE: 2634400 131.859 -38.635 118.739 -6.59685 24.4364 30.9521 114.122 -22.5998 266.32 PRESSAVG: 2634400 6.82043 -11.9667 -15.087 -11.9668 -65.7857 -78.9758 -15.087 -78.9758 58.577 GPRESSAVG: 2634400 6.64529 -12.4588 -14.2236 -12.6235 -66.0261 -78.8602 -13.3025 -80.2065 58.8479 TIMING: 2634400 CPU: 7634.07, 0.00289567/step Wall: 7634.07, 0.00289567/step, 1.90278 hours remaining, 208.980469 MB of memory in use. ENERGY: 2634400 772.0154 2042.5185 1951.7082 107.9943 -206199.8343 18026.9778 0.0000 0.0000 34401.2311 -148897.3889 300.4345 -183298.6200 -148804.5333 300.0921 111.4319 140.8718 558584.0221 -0.1294 -0.1776 PRESSURE: 2634600 -69.8952 -43.7176 37.719 -43.7192 -142.103 -154.15 37.7182 -154.15 81.3579 GPRESSURE: 2634600 -53.1185 -108.864 53.2562 -50.3143 -157.768 -113.104 59.401 -75.8461 187.685 PRESSAVG: 2634600 27.8962 -34.7952 -12.3916 -34.7953 -8.5023 -33.1775 -12.3915 -33.1774 -3.26392 GPRESSAVG: 2634600 27.9392 -37.3856 -12.3392 -34.1262 -9.31519 -33.6766 -16.7183 -31.6713 -2.09813 TIMING: 2634600 CPU: 7634.65, 0.00288519/step Wall: 7634.65, 0.00288519/step, 1.89573 hours remaining, 208.980469 MB of memory in use. ENERGY: 2634600 761.0242 2141.1231 1920.2173 118.9736 -205572.6995 17589.9761 0.0000 0.0000 34208.6179 -148832.7673 298.7524 -183041.3853 -148737.4386 300.6253 -43.5467 -7.7336 558710.5059 5.3767 5.5086 PRESSURE: 2634800 99.3205 163.831 75.458 163.831 40.5787 7.92861 75.4579 7.92929 32.8962 GPRESSURE: 2634800 132.573 188.879 72.9197 102.019 104.197 -0.903233 74.6067 -32.5247 28.6762 PRESSAVG: 2634800 -54.2111 -22.9621 32.5891 -22.9621 -1.50697 -45.4832 32.5891 -45.4833 56.3922 GPRESSAVG: 2634800 -53.707 -20.613 31.6749 -23.0552 -2.72892 -46.72 34.2515 -45.7609 56.602 TIMING: 2634800 CPU: 7635.22, 0.00287224/step Wall: 7635.22, 0.00287224/step, 1.88706 hours remaining, 208.980469 MB of memory in use. ENERGY: 2634800 725.1633 2148.9918 1928.5441 105.7923 -205951.8277 17898.0328 0.0000 0.0000 34208.0823 -148937.2210 298.7477 -183145.3033 -148840.9452 299.7747 57.5985 88.4820 558972.2931 0.2247 0.0554 PRESSURE: 2635000 93.9155 -83.5383 63.3926 -83.5385 -5.89923 -201.624 63.3901 -201.623 -7.94314 GPRESSURE: 2635000 138.154 -136.143 59.8834 -35.2586 6.29234 -104.846 44.3981 -195.111 32.2247 PRESSAVG: 2635000 17.891 41.9112 38.0944 41.9111 22.5235 16.3663 38.0945 16.3662 -27.3514 GPRESSAVG: 2635000 18.4013 41.5397 38.3788 41.03 23.7848 17.3264 39.6707 17.5949 -29.1433 TIMING: 2635000 CPU: 7635.8, 0.00290482/step Wall: 7635.8, 0.00290482/step, 1.90831 hours remaining, 208.980469 MB of memory in use. ENERGY: 2635000 747.8751 2020.9174 1969.8773 119.0894 -206146.9654 17839.0596 0.0000 0.0000 34457.4880 -148992.6587 300.9258 -183450.1467 -148893.9937 298.8977 26.6910 58.8905 558687.5352 4.3544 4.3476 PRESSURE: 2635200 -272.877 -21.4241 -91.8778 -21.4239 -47.6991 35.7844 -91.8768 35.7858 -6.88813 GPRESSURE: 2635200 -207.339 19.1483 -63.765 -65.7726 -55.6122 -119.783 -151.439 84.2568 46.8711 PRESSAVG: 2635200 -33.4233 13.9592 -6.20681 13.9592 20.3459 -20.9509 -6.20676 -20.9509 -27.3014 GPRESSAVG: 2635200 -35.2895 15.4057 -6.77674 13.9016 21.5444 -21.0952 -5.90669 -23.032 -26.1715 TIMING: 2635200 CPU: 7636.38, 0.00290674/step Wall: 7636.38, 0.00290674/step, 1.9094 hours remaining, 208.980469 MB of memory in use. ENERGY: 2635200 737.1092 2044.7613 1968.3593 125.3239 -205483.3975 17433.8371 0.0000 0.0000 34158.2293 -149015.7774 298.3123 -183174.0067 -148923.9845 299.1914 -109.1549 -72.0268 558552.0493 -13.4596 -13.3055 PRESSURE: 2635400 72.5091 -34.47 77.3893 -34.4705 117.818 -18.5168 77.3908 -18.5164 173.871 GPRESSURE: 2635400 127.137 -63.4482 107.279 -51.9128 140.972 48.8834 75.6359 -146.929 185.209 PRESSAVG: 2635400 -34.5247 -0.912238 3.88169 -0.912202 16.7373 -53.299 3.88168 -53.2989 41.4357 GPRESSAVG: 2635400 -33.8632 -0.214047 3.82918 -0.137593 15.8832 -52.2832 4.55543 -52.2404 41.8582 TIMING: 2635400 CPU: 7636.96, 0.00289562/step Wall: 7636.96, 0.00289562/step, 1.90194 hours remaining, 208.980469 MB of memory in use. ENERGY: 2635400 728.1556 2056.4281 1951.6597 116.8930 -206170.0025 17946.4837 0.0000 0.0000 34222.5887 -149147.7938 298.8744 -183370.3825 -149052.3406 298.9438 121.3996 151.1061 558120.3005 7.8828 7.9594 PRESSURE: 2635600 211.619 -42.6744 -16.646 -42.6734 236.96 -20.4458 -16.6455 -20.4475 13.1034 GPRESSURE: 2635600 203.405 -60.9371 -26.1027 -15.3303 261.02 26.0783 -35.3176 -11.293 94.5941 PRESSAVG: 2635600 -34.1595 10.8467 17.1806 10.8468 0.664863 20.1516 17.1807 20.1516 -21.1825 GPRESSAVG: 2635600 -35.2123 8.8738 18.6414 10.3532 1.37222 17.4714 13.9482 20.368 -20.7982 TIMING: 2635600 CPU: 7637.54, 0.0029192/step Wall: 7637.54, 0.0029192/step, 1.91726 hours remaining, 208.980469 MB of memory in use. ENERGY: 2635600 702.4999 2090.2765 1966.2982 100.1596 -206345.6747 18114.7115 0.0000 0.0000 34208.3195 -149163.4096 298.7498 -183371.7291 -149064.0789 299.6856 153.8941 186.3397 558527.8131 -18.2257 -18.2128 PRESSURE: 2635800 -204.952 62.997 -43.0183 62.9973 -64.743 -10.5574 -43.018 -10.5587 -368.959 GPRESSURE: 2635800 -155.534 95.667 -18.0544 111.145 -47.1913 -91.5231 -68.2867 51.3783 -346.635 PRESSAVG: 2635800 -34.1322 42.0802 47.5994 42.0802 17.5281 14.9215 47.5994 14.9215 -40.0967 GPRESSAVG: 2635800 -33.7469 44.3382 44.7671 41.5306 16.8653 16.5123 49.1947 15.205 -40.1834 TIMING: 2635800 CPU: 7638.13, 0.00290345/step Wall: 7638.13, 0.00290346/step, 1.90676 hours remaining, 208.980469 MB of memory in use. ENERGY: 2635800 764.9091 2142.9764 1934.5809 120.3924 -205766.6990 17342.0033 0.0000 0.0000 34509.5573 -148952.2797 301.3805 -183461.8369 -148859.8253 299.8898 -212.8848 -183.1204 557400.7888 -18.9003 -19.0217 PRESSURE: 2636000 -6.81214 52.432 -23.3587 52.4325 190.471 32.608 -23.3583 32.6072 28.4018 GPRESSURE: 2636000 83.028 40.0971 -24.0458 26.891 163.234 41.4582 -18.4631 -45.8065 55.0231 PRESSAVG: 2636000 39.6265 43.1737 -20.3883 43.1738 -10.574 -4.18803 -20.3883 -4.18807 41.0947 GPRESSAVG: 2636000 40.2758 40.9282 -20.5702 44.7401 -12.2627 -3.23644 -19.8697 -4.82273 42.0754 TIMING: 2636000 CPU: 7638.7, 0.00289455/step Wall: 7638.7, 0.00289455/step, 1.90076 hours remaining, 208.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2636000 754.0427 2149.9986 1952.6274 113.2235 -205953.9723 17870.9592 0.0000 0.0000 34193.1582 -148919.9627 298.6174 -183113.1209 -148827.8696 300.4494 70.6869 100.4282 557577.2650 23.3824 23.3628 PRESSURE: 2636200 -45.9428 -39.8738 -34.279 -39.8741 -218.263 61.4201 -34.28 61.4193 -159.454 GPRESSURE: 2636200 -50.2284 -56.5054 62.5591 -94.4659 -237.906 47.0115 -183.791 -20.8137 -45.5848 PRESSAVG: 2636200 6.32446 -1.01169 24.0168 -1.01167 0.174908 -24.719 24.0168 -24.719 13.9401 GPRESSAVG: 2636200 6.02213 1.51332 27.9187 -3.62957 1.22173 -23.9355 22.5291 -24.7944 13.01 TIMING: 2636200 CPU: 7639.29, 0.00290621/step Wall: 7639.29, 0.00290621/step, 1.90825 hours remaining, 208.980469 MB of memory in use. ENERGY: 2636200 805.3498 2082.2717 1939.8161 120.5389 -205972.0311 17657.5149 0.0000 0.0000 34315.9682 -149050.5715 299.6899 -183366.5397 -148953.4075 299.4297 -141.2200 -111.2396 556831.1966 6.8132 6.7513 LDB: ============= START OF LOAD BALANCING ============== 7642.67 LDB: ============== END OF LOAD BALANCING =============== 7642.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7642.67 LDB: ============= START OF LOAD BALANCING ============== 7642.96 LDB: Largest compute 4800 load 0.026517 is 22.5% of average load 0.117840 LDB: Average compute 0.001741 is 1.5% of average load 0.117840 LDB: TIME 7642.96 LOAD: AVG 0.11784 MAX 0.180618 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.875 MB LDB: TIME 7642.96 LOAD: AVG 0.11784 MAX 0.180618 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.117 MB LDB: TIME 7642.96 LOAD: AVG 0.11784 MAX 0.180618 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7642.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7642.97 PRESSURE: 2636400 -11.0844 -19.3151 25.8844 -19.3146 -135.328 122.973 25.8824 122.971 -108.058 GPRESSURE: 2636400 69.5802 -100.024 72.1388 -11.9591 -28.1129 129.168 -11.9932 22.8835 -194.663 PRESSAVG: 2636400 -23.3313 -4.6005 56.5671 -4.60042 25.5667 12.3398 56.5671 12.3399 -29.0697 GPRESSAVG: 2636400 -23.8534 -6.86695 53.9609 -2.35819 26.2898 10.4981 57.2229 11.9167 -29.6359 TIMING: 2636400 CPU: 7639.87, 0.00294388/step Wall: 7639.87, 0.00294388/step, 1.93282 hours remaining, 210.253906 MB of memory in use. ENERGY: 2636400 760.1759 2079.3012 1947.7480 110.8816 -205977.3739 17694.5724 0.0000 0.0000 34336.0559 -149048.6390 299.8653 -183384.6948 -148952.2603 299.5074 -84.8235 -51.0654 557796.1602 -8.9448 -9.0665 PRESSURE: 2636600 37.2035 86.9026 133.344 86.9031 -39.9805 48.6046 133.343 48.6039 -74.7705 GPRESSURE: 2636600 90.9685 103.089 160.626 0.952557 -31.1791 47.3266 149.167 -12.1392 -39.5332 PRESSAVG: 2636600 -3.98274 -51.7449 13.6776 -51.7448 -17.758 12.1151 13.6776 12.1152 10.3542 GPRESSAVG: 2636600 -3.69564 -51.6443 13.8086 -51.3448 -18.7153 13.1699 14.383 13.2789 10.9956 TIMING: 2636600 CPU: 7640.46, 0.00290308/step Wall: 7640.46, 0.00290308/step, 1.90587 hours remaining, 210.457031 MB of memory in use. ENERGY: 2636600 722.1519 2083.5840 1965.0803 98.6060 -206205.1082 17840.8439 0.0000 0.0000 34136.7111 -149358.1311 298.1244 -183494.8422 -149254.2495 299.3419 -25.8492 6.7521 558115.1142 -3.7955 -3.8051 PRESSURE: 2636800 146.253 -106.993 -39.8174 -106.992 10.9368 -167.019 -39.8172 -167.018 69.1422 GPRESSURE: 2636800 139.125 -106.043 -57.1442 -9.18689 86.2372 -205.845 100.214 -74.2586 103.56 PRESSAVG: 2636800 48.8145 -13.844 -11.5256 -13.8441 -73.8794 -13.8723 -11.5256 -13.8723 16.5734 GPRESSAVG: 2636800 48.5026 -14.7302 -9.88904 -11.9287 -72.5719 -13.5663 -12.2785 -14.5709 15.8543 TIMING: 2636800 CPU: 7641.04, 0.00290915/step Wall: 7641.04, 0.00290915/step, 1.90969 hours remaining, 210.457031 MB of memory in use. ENERGY: 2636800 756.2642 2064.6045 1943.7358 107.5030 -206342.8310 17858.2038 0.0000 0.0000 34340.3787 -149272.1409 299.9031 -183612.5196 -149174.1482 299.1067 75.4442 109.6408 556680.8333 -2.8305 -2.7383 PRESSURE: 2637000 196.657 -59.9077 56.8916 -59.9075 -97.0387 -14.1489 56.8918 -14.1495 -153.276 GPRESSURE: 2637000 207.292 -2.33977 51.0635 -94.2328 -69.5365 -30.8566 81.0768 -11.6182 -97.3766 PRESSAVG: 2637000 -76.062 -9.6583 -16.5842 -9.65819 -15.9375 -1.16239 -16.5843 -1.16244 72.7991 GPRESSAVG: 2637000 -78.0549 -9.04489 -19.7548 -9.76234 -15.4598 -2.87393 -17.5701 0.35905 73.5898 TIMING: 2637000 CPU: 7641.62, 0.00289424/step Wall: 7641.62, 0.00289424/step, 1.89975 hours remaining, 210.457031 MB of memory in use. ENERGY: 2637000 732.5328 2098.9177 1958.9596 118.6681 -205781.0386 17331.6455 0.0000 0.0000 34217.2769 -149323.0380 298.8280 -183540.3149 -149221.2329 298.9801 -17.8860 13.4598 555728.1329 -6.4001 -6.6416 PRESSURE: 2637200 -335.638 81.0831 -41.9873 81.084 -108.871 7.46358 -41.9869 7.46366 -397.961 GPRESSURE: 2637200 -272.421 124.499 -91.3291 32.0254 -66.7921 102.546 27.0026 26.2587 -396.871 PRESSAVG: 2637200 1.08096 -49.7494 0.778636 -49.7494 17.6305 0.0291121 0.778785 0.0290474 -1.8182 GPRESSAVG: 2637200 3.57738 -49.5004 0.713206 -49.7454 17.1642 1.91153 2.34677 -0.791847 -3.86551 TIMING: 2637200 CPU: 7642.19, 0.00289072/step Wall: 7642.19, 0.00289072/step, 1.89728 hours remaining, 210.457031 MB of memory in use. ENERGY: 2637200 729.4295 2053.2624 1954.8483 122.3705 -206248.3434 17607.5488 0.0000 0.0000 34358.1267 -149422.7573 300.0581 -183780.8840 -149322.3179 299.0803 -280.8237 -245.3615 557480.9520 5.6311 5.6254 PRESSURE: 2637400 -131.802 -48.7864 -94.6441 -48.7873 60.3967 11.7005 -94.6439 11.699 -141.154 GPRESSURE: 2637400 -50.4755 -31.5684 -111.366 -56.132 37.2923 11.463 -35.2175 -14.6899 -99.2469 PRESSAVG: 2637400 -50.5064 -10.9332 -27.9662 -10.9333 1.85632 4.68947 -27.9663 4.68943 29.2905 GPRESSAVG: 2637400 -50.4166 -10.2406 -27.2512 -13.247 0.583398 3.64652 -28.1288 3.49982 29.9839 TIMING: 2637400 CPU: 7642.77, 0.00289784/step Wall: 7642.77, 0.00289784/step, 1.90179 hours remaining, 210.457031 MB of memory in use. ENERGY: 2637400 756.3875 2099.2147 1934.8875 127.6479 -206154.0672 17708.9182 0.0000 0.0000 34133.4572 -149393.5542 298.0960 -183527.0114 -149294.7870 299.6457 -70.8530 -37.4767 555456.8400 -6.4532 -6.6164 PRESSURE: 2637600 -231.661 33.4953 65.9012 33.4957 10.3056 6.13815 65.9016 6.13787 -161.975 GPRESSURE: 2637600 -148.949 -58.7968 22.2779 39.2426 87.4775 -118.363 96.1371 47.5071 -214.955 PRESSAVG: 2637600 -38.4918 -22.0901 -4.28535 -22.09 -15.8494 -4.09474 -4.28533 -4.09477 70.6164 GPRESSAVG: 2637600 -38.5556 -21.5747 -3.29399 -22.0482 -16.0817 -4.33929 -2.6714 -4.15775 71.0959 TIMING: 2637600 CPU: 7643.35, 0.0028792/step Wall: 7643.35, 0.0028792/step, 1.8894 hours remaining, 210.656250 MB of memory in use. ENERGY: 2637600 747.8825 2117.9366 1946.3583 115.1614 -206248.0037 17662.0326 0.0000 0.0000 34334.0518 -149324.5804 299.8478 -183658.6322 -149223.4526 299.0540 -127.7767 -92.1421 556300.2559 5.4251 5.4862 PRESSURE: 2637800 -277.43 75.4696 63.3725 75.4714 -310.361 -147.157 63.3728 -147.157 -148.579 GPRESSURE: 2637800 -232.286 36.6384 10.4128 106.912 -285.917 -179.886 117.981 -148.824 -112.463 PRESSAVG: 2637800 -33.3128 -49.8817 37.1466 -49.8817 -21.9941 -0.446282 37.1466 -0.446348 40.6281 GPRESSAVG: 2637800 -33.3602 -51.5551 36.2734 -49.4465 -21.1064 0.232781 36.0218 0.595018 40.0859 TIMING: 2637800 CPU: 7643.92, 0.00286902/step Wall: 7643.92, 0.00286902/step, 1.88256 hours remaining, 210.656250 MB of memory in use. ENERGY: 2637800 765.0138 2087.1510 1950.4671 113.0403 -205891.9653 17472.7715 0.0000 0.0000 34109.0272 -149394.4944 297.8826 -183503.5216 -149302.6977 298.9761 -245.4567 -210.2220 557317.5249 -4.8929 -4.7936 PRESSURE: 2638000 108.562 55.8575 57.0788 55.8576 449.416 -59.5434 57.0794 -59.5446 185.035 GPRESSURE: 2638000 176.735 94.7566 60.6867 27.7754 458.8 4.16705 86.7002 17.6429 206.114 PRESSAVG: 2638000 13.8602 -48.3657 4.98376 -48.3658 14.5444 20.6187 4.98376 20.6186 -50.9849 GPRESSAVG: 2638000 12.7715 -46.8041 5.89868 -47.3197 15.3874 21.0881 5.32396 21.3973 -50.1763 TIMING: 2638000 CPU: 7644.5, 0.00289817/step Wall: 7644.5, 0.00289817/step, 1.90152 hours remaining, 210.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2638000 773.3559 2058.9558 1977.8479 119.3133 -206551.4136 18198.2942 0.0000 0.0000 33999.9005 -149423.7462 296.9296 -183423.6467 -149333.4329 298.5202 247.6711 280.5494 555620.7232 -7.5268 -7.3391 PRESSURE: 2638200 190.411 44.3067 45.8938 44.306 326.006 60.1033 45.8946 60.1029 188.934 GPRESSURE: 2638200 272.358 -65.7505 74.4774 88.0007 325.687 -47.4185 13.9301 79.2502 205.728 PRESSAVG: 2638200 -74.8677 -43.2657 -25.4626 -43.2658 -37.7485 -27.0774 -25.4625 -27.0774 81.4338 GPRESSAVG: 2638200 -73.1259 -44.5109 -23.0145 -43.0492 -38.3113 -28.5297 -25.3843 -26.6602 79.805 TIMING: 2638200 CPU: 7645.08, 0.00290144/step Wall: 7645.08, 0.00290144/step, 1.90351 hours remaining, 210.656250 MB of memory in use. ENERGY: 2638200 745.3274 2041.6274 1963.4138 105.7133 -206413.7237 18039.3505 0.0000 0.0000 34148.2525 -149370.0388 298.2252 -183518.2913 -149273.6489 298.3230 235.1169 267.9242 557000.7245 -10.3942 -10.5441 PRESSURE: 2638400 274.841 -106.88 -49.4244 -106.879 52.4432 -46.0955 -49.4231 -46.0959 212.081 GPRESSURE: 2638400 276.498 40.2536 -0.922629 -107.114 118.511 -30.3366 -47.9919 -93.2205 233.206 PRESSAVG: 2638400 6.66306 -40.2922 69.7264 -40.2923 -133.56 65.9695 69.7264 65.9696 116.852 GPRESSAVG: 2638400 7.04062 -40.3226 69.574 -41.916 -134.314 68.6995 69.4444 64.439 116.936 TIMING: 2638400 CPU: 7645.66, 0.0029064/step Wall: 7645.66, 0.0029064/step, 1.9066 hours remaining, 210.656250 MB of memory in use. ENERGY: 2638400 708.7095 2123.6965 1949.3874 105.6461 -206696.7248 18019.1022 0.0000 0.0000 34541.1886 -149248.9944 301.6568 -183790.1831 -149157.4512 299.7597 179.7883 209.4053 556067.5234 -3.3484 -3.4459 PRESSURE: 2638600 -288.048 45.2938 -9.82917 45.294 -31.1664 -91.694 -9.82841 -91.6953 -246.435 GPRESSURE: 2638600 -235.182 102.422 29.0187 -0.303283 26.3507 -83.0261 -47.1597 10.9005 -257.541 PRESSAVG: 2638600 -32.6163 6.29303 -33.5567 6.29311 18.0539 25.3095 -33.5568 25.3095 50.8475 GPRESSAVG: 2638600 -33.1563 7.31281 -35.0431 9.70323 19.2228 24.3945 -33.5296 24.3065 50.5167 TIMING: 2638600 CPU: 7646.24, 0.00290223/step Wall: 7646.24, 0.00290223/step, 1.9037 hours remaining, 210.656250 MB of memory in use. ENERGY: 2638600 777.4069 2013.8515 1951.6376 100.3192 -206035.1144 17498.7350 0.0000 0.0000 34245.5497 -149447.6146 299.0749 -183693.1643 -149348.8076 299.5639 -188.5497 -155.4573 555967.4655 12.0951 12.1944 PRESSURE: 2638800 437.74 73.8981 -2.27965 73.898 265.969 71.0354 -2.28144 71.0347 -9.34147 GPRESSURE: 2638800 440.557 46.8132 -2.22066 63.0683 281.173 147.472 -58.5003 10.4383 79.3902 PRESSAVG: 2638800 42.2939 -7.41208 -34.0329 -7.41208 -29.6915 -27.4293 -34.033 -27.4292 -32.0955 GPRESSAVG: 2638800 41.2352 -10.0526 -34.298 -8.98016 -30.7265 -28.233 -35.3486 -25.5416 -29.6276 TIMING: 2638800 CPU: 7646.83, 0.0029071/step Wall: 7646.83, 0.0029071/step, 1.90674 hours remaining, 210.656250 MB of memory in use. ENERGY: 2638800 733.4265 2051.0906 1960.6706 117.8947 -206351.2927 17996.4743 0.0000 0.0000 34105.5799 -149386.1561 297.8525 -183491.7360 -149291.2393 298.2772 231.4556 267.0402 555424.4845 -6.4977 -6.3730 PRESSURE: 2639000 -78.6122 -196.67 -240.919 -196.67 -147.836 55.5664 -240.92 55.5672 79.0037 GPRESSURE: 2639000 -23.5557 -240.44 -212.044 -189.98 -120.871 11.1968 -244.75 143.849 99.065 PRESSAVG: 2639000 71.8592 -15.4635 26.6448 -15.4635 19.5073 45.3201 26.6448 45.32 -86.1036 GPRESSAVG: 2639000 72.8227 -15.9437 27.3601 -13.5181 20.4447 45.2993 28.0793 45.7451 -87.7699 TIMING: 2639000 CPU: 7647.41, 0.00291286/step Wall: 7647.41, 0.00291286/step, 1.91035 hours remaining, 210.656250 MB of memory in use. ENERGY: 2639000 750.7278 2076.2773 1964.3153 110.3473 -206013.6525 17530.3195 0.0000 0.0000 34196.5989 -149385.0664 298.6474 -183581.6652 -149286.9810 298.6954 -49.1482 -15.1207 556485.8022 1.7543 1.8325 PRESSURE: 2639200 168.331 20.5627 88.8854 20.5624 47.4921 -24.9947 88.8855 -24.9964 -110.691 GPRESSURE: 2639200 159.405 -62.027 112.924 47.7577 95.5717 -41.2952 33.3402 -35.039 -57.2804 PRESSAVG: 2639200 -48.6437 -4.06979 -12.4139 -4.06979 32.6706 -34.7839 -12.4139 -34.7838 -13.7057 GPRESSAVG: 2639200 -49.2528 -3.11064 -12.5625 -6.3087 32.562 -33.5598 -16.0189 -36.0042 -13.1514 TIMING: 2639200 CPU: 7647.99, 0.00292566/step Wall: 7647.99, 0.00292566/step, 1.91858 hours remaining, 210.656250 MB of memory in use. ENERGY: 2639200 737.3975 2066.1880 1933.4850 110.3490 -206201.2022 17792.0694 0.0000 0.0000 34245.1965 -149316.5167 299.0718 -183561.7132 -149225.1555 299.5972 35.0440 65.8989 556778.9992 -9.8929 -9.9474 PRESSURE: 2639400 -344.916 -34.2027 123.367 -34.2024 -143.859 116.169 123.365 116.168 -148.146 GPRESSURE: 2639400 -277.22 -10.3057 117.912 -74.4761 -142.093 148.258 156.783 59.4043 -111.021 PRESSAVG: 2639400 30.4376 34.969 69.6251 34.969 -23.7792 39.0671 69.625 39.0669 0.727532 GPRESSAVG: 2639400 31.5838 34.0532 68.139 35.3892 -24.2923 36.6641 72.0433 39.3542 0.11047 TIMING: 2639400 CPU: 7648.57, 0.0028944/step Wall: 7648.57, 0.0028944/step, 1.89792 hours remaining, 210.656250 MB of memory in use. ENERGY: 2639400 761.0046 2075.8189 1958.2726 114.9450 -205931.7952 17349.2183 0.0000 0.0000 34292.8511 -149379.6846 299.4880 -183672.5358 -149280.7815 299.3500 -212.3070 -176.7781 555898.2380 2.4620 2.4673 PRESSURE: 2639600 166.577 16.5582 -1.43029 16.5578 -21.8576 23.9615 -1.42911 23.9603 14.6582 GPRESSURE: 2639600 222.66 -5.90391 -29.9585 -2.31461 12.3187 10.1323 -2.96314 -25.0131 29.9067 PRESSAVG: 2639600 45.669 -45.2067 -28.1772 -45.2066 -37.5761 -11.6892 -28.1772 -11.6892 -43.4116 GPRESSAVG: 2639600 44.242 -44.7625 -27.462 -44.9128 -36.2383 -8.91981 -27.7235 -11.9414 -43.1924 TIMING: 2639600 CPU: 7649.16, 0.0029161/step Wall: 7649.16, 0.0029161/step, 1.91199 hours remaining, 210.656250 MB of memory in use. ENERGY: 2639600 726.8158 2067.5156 1962.3828 116.9659 -206393.6085 17778.4512 0.0000 0.0000 34462.6466 -149278.8305 300.9709 -183741.4772 -149181.4880 299.8286 53.1260 88.2951 555979.6607 -11.7729 -11.7296 PRESSURE: 2639800 -42.433 -37.2788 -1.27381 -37.2772 97.8091 56.7095 -1.27451 56.7099 308.903 GPRESSURE: 2639800 -1.41198 -51.7183 86.8115 -40.5843 129.296 57.7913 -33.2167 4.99246 329.569 PRESSAVG: 2639800 -78.709 -15.8975 24.7333 -15.8976 90.7199 6.43522 24.7333 6.43531 -2.21827 GPRESSAVG: 2639800 -77.5577 -14.4595 24.2369 -18.6049 89.2807 3.67221 23.7164 7.57573 -2.17951 TIMING: 2639800 CPU: 7649.73, 0.00289418/step Wall: 7649.73, 0.00289418/step, 1.89745 hours remaining, 210.656250 MB of memory in use. ENERGY: 2639800 759.2961 2118.4031 1914.4202 109.5998 -206479.8606 18079.5410 0.0000 0.0000 34222.0452 -149276.5552 298.8696 -183498.6004 -149178.3115 299.3697 121.4265 152.4842 556664.4316 3.2642 3.1811 PRESSURE: 2640000 -54.3133 49.2336 133.695 49.2328 63.2475 220.843 133.695 220.841 -24.704 GPRESSURE: 2640000 -49.466 -21.9006 133.373 93.3176 119.634 158.118 73.3612 253.99 9.43327 PRESSAVG: 2640000 -45.5068 -6.26577 15.7388 -6.2658 88.0791 -12.7043 15.7388 -12.7042 -15.0029 GPRESSAVG: 2640000 -46.4677 -7.26608 17.8861 -3.37641 88.5507 -9.7826 17.8257 -15.4549 -14.7395 TIMING: 2640000 CPU: 7650.31, 0.00288309/step Wall: 7650.31, 0.00288309/step, 1.89002 hours remaining, 210.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2640000 746.9202 2104.5306 1980.5926 122.3849 -206184.6996 17709.4021 0.0000 0.0000 34318.2876 -149202.5816 299.7101 -183520.8692 -149111.1108 299.4339 -5.2566 26.5338 557318.2477 9.1898 9.1145 PRESSURE: 2640200 0.771177 49.6292 -63.9864 49.6306 33.1448 79.3898 -63.9863 79.3882 -91.3755 GPRESSURE: 2640200 42.0305 105.294 -55.3806 -26.6508 -0.333346 -32.4744 -65.3331 58.9032 5.3709 PRESSAVG: 2640200 14.0844 -25.8996 26.7044 -25.8995 15.254 -4.23398 26.7043 -4.23405 -28.675 GPRESSAVG: 2640200 13.3419 -26.8775 25.9767 -26.7506 15.9239 -5.03381 24.7022 -3.01428 -28.285 TIMING: 2640200 CPU: 7650.89, 0.00289931/step Wall: 7650.89, 0.00289931/step, 1.9005 hours remaining, 210.656250 MB of memory in use. ENERGY: 2640200 724.9809 2120.2931 1980.3365 109.1820 -206130.7072 17670.4506 0.0000 0.0000 34245.5935 -149279.8706 299.0753 -183525.4640 -149187.5509 299.5623 -19.1532 15.6894 556851.3883 0.2212 0.3269 LDB: ============= START OF LOAD BALANCING ============== 7654.28 LDB: ============== END OF LOAD BALANCING =============== 7654.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7654.28 LDB: ============= START OF LOAD BALANCING ============== 7654.57 LDB: Largest compute 4800 load 0.024727 is 21.0% of average load 0.117907 LDB: Average compute 0.001743 is 1.5% of average load 0.117907 LDB: TIME 7654.58 LOAD: AVG 0.117907 MAX 0.179662 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.469 MB LDB: TIME 7654.58 LOAD: AVG 0.117907 MAX 0.179662 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.5 MB LDB: TIME 7654.58 LOAD: AVG 0.117907 MAX 0.179662 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.5 MB LDB: ============== END OF LOAD BALANCING =============== 7654.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7654.58 PRESSURE: 2640400 -169.7 -61.3997 48.2064 -61.3997 112.414 -44.5927 48.2057 -44.5926 -31.9008 GPRESSURE: 2640400 -131.812 -174.985 157.791 -58.0926 147.9 -49.5674 -108.296 -104.278 -13.6145 PRESSAVG: 2640400 -78.5643 -2.81232 23.1883 -2.81233 56.5447 69.723 23.1883 69.723 3.21355 GPRESSAVG: 2640400 -78.0842 -0.387289 24.0549 -4.27295 56.93 68.1272 21.6437 70.6636 2.34645 TIMING: 2640400 CPU: 7651.49, 0.00297683/step Wall: 7651.49, 0.00297683/step, 1.95115 hours remaining, 208.179688 MB of memory in use. ENERGY: 2640400 750.3958 2076.0593 1993.5091 121.5742 -206229.3935 17844.2313 0.0000 0.0000 34329.4879 -149114.1357 299.8080 -183443.6237 -149017.8836 299.6364 -29.7289 0.8242 557150.8733 -6.2687 -6.2692 PRESSURE: 2640600 -154.47 -164.632 57.9123 -164.631 -193.9 56.5463 57.9115 56.5455 60.9614 GPRESSURE: 2640600 -46.2253 -153.54 -65.7154 -185.271 -210.792 126.663 129.539 -23.5835 75.3398 PRESSAVG: 2640600 -48.7791 -58.9457 -23.0014 -58.9457 14.3348 50.8615 -23.0014 50.8614 43.8505 GPRESSAVG: 2640600 -48.1962 -60.4684 -25.1525 -55.6176 12.3155 52.5976 -22.1535 52.4114 45.5036 TIMING: 2640600 CPU: 7652.07, 0.00289274/step Wall: 7652.07, 0.00289274/step, 1.89587 hours remaining, 208.378906 MB of memory in use. ENERGY: 2640600 752.5395 2122.9331 1959.6703 110.8767 -206225.4723 17747.4738 0.0000 0.0000 34242.9695 -149289.0093 299.0524 -183531.9788 -149189.0368 299.7282 -95.8027 -60.5593 557742.5356 3.1354 3.2077 PRESSURE: 2640800 -65.3785 -91.1454 -68.7222 -91.1467 -272.169 -38.3475 -68.7212 -38.347 320.38 GPRESSURE: 2640800 -43.4155 -133.189 -62.5265 -29.0347 -195.514 -92.5203 -174.038 -113.855 310.614 PRESSAVG: 2640800 -4.37037 -32.539 17.7206 -32.539 -1.95553 -1.44342 17.7205 -1.44335 6.96429 GPRESSAVG: 2640800 -3.93105 -32.4634 17.7473 -34.8627 -0.413286 -1.63127 17.459 -3.62689 5.47237 TIMING: 2640800 CPU: 7652.65, 0.00290163/step Wall: 7652.65, 0.00290163/step, 1.90153 hours remaining, 208.378906 MB of memory in use. ENERGY: 2640800 771.7864 2166.6578 1948.7894 116.0230 -206066.1253 17553.8876 0.0000 0.0000 34292.9456 -149216.0356 299.4888 -183508.9812 -149119.9697 299.2154 -5.7226 23.8946 557245.6529 0.2128 0.3760 PRESSURE: 2641000 -199.504 -146.958 31.6423 -146.958 69.347 105.6 31.6425 105.597 -83.4249 GPRESSURE: 2641000 -147.236 -184.569 8.53398 -57.4344 31.4163 80.794 84.0655 87.7541 -7.03887 PRESSAVG: 2641000 -67.6827 -25.8978 -27.083 -25.8979 59.45 1.94855 -27.083 1.94846 10.6001 GPRESSAVG: 2641000 -68.8216 -27.8433 -28.1804 -25.4274 58.6249 2.95249 -25.0473 2.22763 12.6804 TIMING: 2641000 CPU: 7653.23, 0.00291185/step Wall: 7653.23, 0.00291185/step, 1.90807 hours remaining, 208.378906 MB of memory in use. ENERGY: 2641000 755.3807 2129.2832 1977.9221 110.4327 -206499.1681 18004.6831 0.0000 0.0000 34330.9555 -149190.5108 299.8208 -183521.4663 -149092.7121 299.3927 -71.1939 -40.9529 557912.4275 0.7892 0.8279 PRESSURE: 2641200 12.0025 -7.51797 47.4461 -7.51715 -39.2246 -1.69561 47.4462 -1.69418 188.716 GPRESSURE: 2641200 70.4223 15.3361 35.5086 -81.0912 37.2257 -22.6373 56.9254 58.3166 154.163 PRESSAVG: 2641200 28.4512 -54.3941 0.130671 -54.3942 -6.31906 5.11106 0.130636 5.11111 -23.7536 GPRESSAVG: 2641200 28.4948 -53.4219 1.00311 -56.9016 -6.26265 5.63979 -1.69569 3.50161 -24.2325 TIMING: 2641200 CPU: 7653.81, 0.00288678/step Wall: 7653.81, 0.00288678/step, 1.89148 hours remaining, 208.378906 MB of memory in use. ENERGY: 2641200 779.8466 2138.4131 1962.9704 124.8014 -206543.1331 18000.3029 0.0000 0.0000 34145.5872 -149391.2114 298.2019 -183536.7987 -149293.1992 299.6959 53.8312 87.2703 557820.4509 -0.5405 -0.6668 PRESSURE: 2641400 -138.477 -64.8617 17.0739 -64.8613 258.329 93.8807 17.0741 93.8801 -234.356 GPRESSURE: 2641400 -72.6899 -103.808 28.3939 -27.5418 288.819 127.57 7.57158 161.96 -224.303 PRESSAVG: 2641400 6.75842 -13.6173 60.4816 -13.6173 3.12302 6.658 60.4817 6.65796 19.2899 GPRESSAVG: 2641400 7.75178 -13.1772 61.1657 -10.9161 2.3796 3.91965 59.6869 9.45045 19.1721 TIMING: 2641400 CPU: 7654.38, 0.00288304/step Wall: 7654.38, 0.00288304/step, 1.88887 hours remaining, 208.378906 MB of memory in use. ENERGY: 2641400 790.3912 2160.0770 1957.5188 116.8623 -206137.9997 17785.7024 0.0000 0.0000 34013.8339 -149313.6139 297.0513 -183327.4479 -149218.6612 298.3200 -38.1679 -2.7248 558038.0449 9.7238 9.7678 PRESSURE: 2641600 113.571 -40.9913 -118.05 -40.9905 -222.669 -107.004 -118.05 -107.003 119.011 GPRESSURE: 2641600 111.821 43.979 -16.7666 -46.082 -184.507 -134.868 -113.928 -65.9663 167.954 PRESSAVG: 2641600 -33.7799 -16.5551 -90.9702 -16.5551 38.3059 -32.6037 -90.9703 -32.6037 -3.31238 GPRESSAVG: 2641600 -34.7605 -16.6799 -90.0636 -17.8438 39.9451 -31.4366 -90.7321 -33.2324 -3.92032 TIMING: 2641600 CPU: 7654.96, 0.00288593/step Wall: 7654.96, 0.00288593/step, 1.8906 hours remaining, 208.378906 MB of memory in use. ENERGY: 2641600 744.9559 2173.2976 1970.8817 119.1786 -206325.6671 17844.6364 0.0000 0.0000 34162.2079 -149310.5090 298.3471 -183472.7169 -149216.7754 299.7564 3.3042 31.7557 557053.2784 0.4045 0.4214 PRESSURE: 2641800 109.855 -19.3208 4.17222 -19.3201 -50.3444 -2.99605 4.17143 -2.99636 169.909 GPRESSURE: 2641800 143.3 -59.7093 -42.288 -15.4443 -5.47278 -70.0277 -104.363 -8.17914 187.632 PRESSAVG: 2641800 -4.58499 28.0618 -65.5123 28.0618 60.2378 -56.7523 -65.5124 -56.7523 6.67681 GPRESSAVG: 2641800 -5.24198 28.9732 -66.9705 27.172 60.4955 -57.4372 -65.4918 -56.3 6.91368 TIMING: 2641800 CPU: 7655.54, 0.00290824/step Wall: 7655.54, 0.00290824/step, 1.90506 hours remaining, 208.378906 MB of memory in use. ENERGY: 2641800 767.1212 2104.7481 1950.8013 119.1409 -206548.0575 18012.4011 0.0000 0.0000 34272.8445 -149321.0003 299.3133 -183593.8448 -149217.9622 298.7147 76.4734 108.4863 557180.1963 20.7766 20.7224 PRESSURE: 2642000 189.398 -42.7836 -15.6672 -42.7842 315.389 10.1153 -15.6676 10.1151 -219.796 GPRESSURE: 2642000 212.375 55.6676 -19.5017 -77.6167 379.373 41.4723 13.8685 28.6403 -211.018 PRESSAVG: 2642000 -18.6119 26.5698 -29.5691 26.5698 -31.9701 -26.0494 -29.5691 -26.0495 48.628 GPRESSAVG: 2642000 -18.3558 25.3609 -28.9895 26.4799 -32.5361 -26.7483 -30.8014 -25.6004 48.8331 TIMING: 2642000 CPU: 7656.12, 0.00292098/step Wall: 7656.12, 0.00292097/step, 1.91324 hours remaining, 208.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2642000 804.3354 2112.3312 1966.1803 118.9789 -206462.8934 18024.6635 0.0000 0.0000 34217.9145 -149218.4896 298.8336 -183436.4041 -149121.4098 298.6753 94.9967 126.9100 556385.5997 -0.6513 -0.6863 PRESSURE: 2642200 -133.288 31.348 -107.903 31.3479 48.11 82.6439 -107.903 82.645 -72.9564 GPRESSURE: 2642200 -94.5929 -15.6362 -60.7109 71.9705 67.6941 119.082 -181.146 6.88154 -24.9464 PRESSAVG: 2642200 24.5518 18.4904 -11.9639 18.4904 34.4035 10.819 -11.9638 10.819 2.06676 GPRESSAVG: 2642200 25.3524 19.4425 -11.2456 19.4738 34.7371 11.1847 -11.8682 9.73915 0.964753 TIMING: 2642200 CPU: 7656.7, 0.00289781/step Wall: 7656.7, 0.00289781/step, 1.8979 hours remaining, 208.378906 MB of memory in use. ENERGY: 2642200 772.0586 2162.8598 1915.9881 119.4715 -206368.5608 17827.3312 0.0000 0.0000 34318.6809 -149252.1708 299.7136 -183570.8517 -149153.9953 299.5242 -52.7114 -17.2817 557877.8269 20.3407 20.3514 PRESSURE: 2642400 35.9553 -136.043 51.7893 -136.043 -144.026 42.8178 51.7888 42.8183 -260.654 GPRESSURE: 2642400 65.2455 -112.022 -62.347 -161.205 -170.949 41.7989 58.5954 35.8841 -164.771 PRESSAVG: 2642400 45.675 23.3649 -19.8134 23.365 22.6448 8.9774 -19.8134 8.97743 -54.7645 GPRESSAVG: 2642400 45.2147 21.8482 -22.0202 22.6833 21.2579 9.04738 -17.4382 7.91948 -52.9038 TIMING: 2642400 CPU: 7657.29, 0.00290339/step Wall: 7657.29, 0.00290339/step, 1.9014 hours remaining, 208.378906 MB of memory in use. ENERGY: 2642400 770.4163 2092.6112 1941.0112 113.3384 -206335.0460 17820.9588 0.0000 0.0000 34259.2538 -149337.4563 299.1946 -183596.7101 -149244.8260 299.5690 -122.9084 -90.1582 558495.2936 4.5184 4.5229 PRESSURE: 2642600 41.4647 -39.7312 -112.361 -39.732 85.2245 -51.0225 -112.36 -51.0243 -143.757 GPRESSURE: 2642600 69.1455 -4.90417 -116.173 -62.4995 74.041 20.4212 -93.0951 -0.856321 -68.6604 PRESSAVG: 2642600 23.4941 -29.3081 -25.3629 -29.3082 -53.7957 -8.89701 -25.363 -8.89704 -14.0761 GPRESSAVG: 2642600 22.2411 -26.9704 -24.5038 -28.7823 -52.9081 -7.87751 -26.441 -7.3448 -13.8816 TIMING: 2642600 CPU: 7657.87, 0.00290477/step Wall: 7657.87, 0.00290477/step, 1.90214 hours remaining, 208.378906 MB of memory in use. ENERGY: 2642600 712.0372 2102.9377 1967.6958 112.7370 -206225.7724 17886.0454 0.0000 0.0000 34244.6871 -149199.6322 299.0674 -183444.3193 -149105.3209 299.6912 -5.6894 24.8420 559052.1682 -14.7926 -14.8495 PRESSURE: 2642800 -252.589 -42.9052 122.358 -42.904 133.539 164.045 122.357 164.045 -126.748 GPRESSURE: 2642800 -203.568 -23.0207 89.0487 -31.437 222.96 8.18045 125.127 268.205 -161.497 PRESSAVG: 2642800 11.2637 2.13908 -77.2699 2.13903 49.0547 -1.76882 -77.2699 -1.76882 -52.7096 GPRESSAVG: 2642800 13.0831 -0.00353804 -77.9961 3.16896 49.8023 -2.79634 -78.3119 -3.68452 -54.2889 TIMING: 2642800 CPU: 7658.45, 0.00289945/step Wall: 7658.45, 0.00289945/step, 1.8985 hours remaining, 208.378906 MB of memory in use. ENERGY: 2642800 798.0130 2141.4045 1961.0484 113.6886 -206438.1981 17952.7809 0.0000 0.0000 34429.1099 -149042.1527 300.6780 -183471.2626 -148944.2262 300.0264 -81.9326 -47.3684 559780.6825 2.5362 2.8655 PRESSURE: 2643000 180.572 -61.6867 -52.6281 -61.6856 72.505 -7.294 -52.6275 -7.29509 230.853 GPRESSURE: 2643000 184.942 -34.6807 -83.2108 -12.5023 143.093 1.36431 -44.8881 36.8167 260.23 PRESSAVG: 2643000 -20.9529 29.8169 -43.5808 29.8169 -61.4157 -48.8373 -43.5806 -48.8372 55.992 GPRESSAVG: 2643000 -21.905 31.0493 -45.2464 29.0504 -61.2808 -46.9162 -42.211 -49.5555 56.9318 TIMING: 2643000 CPU: 7659.03, 0.00292063/step Wall: 7659.03, 0.00292063/step, 1.9122 hours remaining, 208.378906 MB of memory in use. ENERGY: 2643000 759.8649 2123.0741 1966.0622 120.0616 -206568.8661 18071.2442 0.0000 0.0000 34084.7353 -149443.8238 297.6705 -183528.5590 -149340.0655 299.6384 161.3100 196.0883 556659.4971 -8.7922 -8.7514 PRESSURE: 2643200 16.0287 59.5336 -119.228 59.5337 -257.397 103.684 -119.228 103.685 -122.726 GPRESSURE: 2643200 87.8987 26.8391 -174.444 128.393 -267.331 14.1629 -28.5519 167.528 -80.7009 PRESSAVG: 2643200 17.5013 25.1622 19.5715 25.1621 -37.9185 -48.5277 19.5714 -48.5276 -28.4503 GPRESSAVG: 2643200 17.8751 26.5061 20.8382 23.622 -38.3479 -50.4074 19.0123 -46.2492 -28.4514 TIMING: 2643200 CPU: 7659.61, 0.00289609/step Wall: 7659.61, 0.00289609/step, 1.89598 hours remaining, 208.378906 MB of memory in use. ENERGY: 2643200 757.9084 2154.9952 1939.0024 126.9256 -206212.3441 17778.1704 0.0000 0.0000 34208.0480 -149247.2941 298.7474 -183455.3421 -149151.8346 298.7376 -121.3649 -86.7112 559139.3303 -16.2892 -16.3081 PRESSURE: 2643400 164.574 -28.7071 -82.4785 -28.7062 -44.9267 -45.6853 -82.4777 -45.6852 -93.3637 GPRESSURE: 2643400 187.261 -68.88 -99.0068 -47.4524 24.4101 -151.452 -7.11166 127.195 -101.457 PRESSAVG: 2643400 87.5717 21.7503 -40.524 21.7502 -53.3406 -1.74588 -40.5241 -1.7457 -25.4024 GPRESSAVG: 2643400 87.1707 19.9139 -41.7934 22.758 -53.3334 -3.60833 -39.7546 -0.544242 -24.7352 TIMING: 2643400 CPU: 7660.19, 0.00290121/step Wall: 7660.19, 0.00290122/step, 1.89917 hours remaining, 208.410156 MB of memory in use. ENERGY: 2643400 779.8541 2091.0672 1945.9418 118.7161 -206345.0942 18008.8623 0.0000 0.0000 34302.7582 -149097.8945 299.5745 -183400.6527 -148993.9262 299.2307 8.7613 36.7381 559020.4801 2.9429 3.0340 PRESSURE: 2643600 167.949 88.5693 -73.3954 88.5702 43.2636 -112.112 -73.3959 -112.113 -119.958 GPRESSURE: 2643600 138.074 76.2436 5.17183 33.5532 143.827 -83.8255 -98.2183 -127.17 -93.7989 PRESSAVG: 2643600 32.9322 -22.6655 -21.032 -22.6655 60.2942 8.93534 -21.032 8.93529 -74.9908 GPRESSAVG: 2643600 34.0946 -21.0064 -19.3987 -22.6839 58.8494 11.1246 -22.1194 5.68367 -75.0309 TIMING: 2643600 CPU: 7660.78, 0.00292724/step Wall: 7660.78, 0.00292723/step, 1.91604 hours remaining, 208.410156 MB of memory in use. ENERGY: 2643600 729.8670 2140.8288 2006.3359 102.0107 -206384.1012 17913.9144 0.0000 0.0000 34314.5120 -149176.6323 299.6772 -183491.1444 -149084.4400 299.6503 30.4184 62.7008 558245.3414 6.0785 5.9710 PRESSURE: 2643800 -23.7011 118.944 19.5399 118.945 -156.279 155.283 19.5389 155.283 -69.218 GPRESSURE: 2643800 -26.7859 140.821 -7.32378 124.067 -126.095 51.1033 38.1787 148.963 -15.4425 PRESSAVG: 2643800 0.787883 36.174 -29.4037 36.174 3.18557 -59.4336 -29.4037 -59.4335 -32.3001 GPRESSAVG: 2643800 0.144266 36.3012 -29.4908 34.805 4.62928 -57.9834 -29.8921 -58.754 -33.097 TIMING: 2643800 CPU: 7661.35, 0.00289942/step Wall: 7661.35, 0.00289942/step, 1.89767 hours remaining, 208.410156 MB of memory in use. ENERGY: 2643800 783.5481 2101.2394 1951.8546 116.3312 -206097.4655 17798.1338 0.0000 0.0000 34133.6961 -149212.6621 298.0981 -183346.3583 -149118.1812 299.5497 -83.0662 -56.1079 558488.8455 -9.4422 -9.4411 PRESSURE: 2644000 81.7012 -27.1548 -2.68172 -27.1546 -133.299 92.5812 -2.68113 92.5809 -69.6193 GPRESSURE: 2644000 168.277 -162.317 -38.4638 77.2034 -95.5751 112.682 -16.0099 60.951 -93.2187 PRESSAVG: 2644000 38.6946 24.9066 -21.1573 24.9067 -34.4688 58.1498 -21.1573 58.1496 -14.234 GPRESSAVG: 2644000 38.581 24.3981 -20.7985 25.6409 -34.7452 58.0598 -20.6734 56.7742 -13.6255 TIMING: 2644000 CPU: 7661.93, 0.0028983/step Wall: 7661.93, 0.0028983/step, 1.89677 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2644000 740.9025 2109.7439 1985.2029 122.3217 -206293.5796 17833.3804 0.0000 0.0000 34395.2722 -149106.7559 300.3825 -183502.0282 -149011.5236 298.9835 -40.4057 -6.8388 558330.4433 -3.3360 -3.2633 PRESSURE: 2644200 256.685 -16.459 -45.9184 -16.4601 200.661 27.1115 -45.9187 27.1103 166.927 GPRESSURE: 2644200 282.018 -11.1255 -55.1192 -80.8485 288.283 -31.9604 -1.55062 15.1399 157.12 PRESSAVG: 2644200 -1.03204 -28.9901 -47.5665 -28.9902 4.32035 75.6403 -47.5664 75.6403 -24.0152 GPRESSAVG: 2644200 -0.572656 -31.2508 -48.2247 -29.4031 5.14229 75.277 -45.3447 76.5476 -25.392 TIMING: 2644200 CPU: 7662.51, 0.00288764/step Wall: 7662.51, 0.00288764/step, 1.88964 hours remaining, 208.410156 MB of memory in use. ENERGY: 2644200 743.3067 2089.8362 1954.5711 113.3871 -206667.0258 18301.7946 0.0000 0.0000 34300.9147 -149163.2155 299.5584 -183464.1302 -149065.3000 299.8097 208.0913 242.4735 557420.8578 -6.9090 -6.9408 LDB: ============= START OF LOAD BALANCING ============== 7665.9 LDB: ============== END OF LOAD BALANCING =============== 7665.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7665.9 LDB: ============= START OF LOAD BALANCING ============== 7666.19 LDB: Largest compute 4800 load 0.026527 is 22.5% of average load 0.117854 LDB: Average compute 0.001737 is 1.5% of average load 0.117854 LDB: TIME 7666.19 LOAD: AVG 0.117854 MAX 0.17918 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 7666.19 LOAD: AVG 0.117854 MAX 0.17918 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.086 MB LDB: TIME 7666.19 LOAD: AVG 0.117854 MAX 0.17918 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.086 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7666.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7666.2 PRESSURE: 2644400 -267.502 -90.4944 -18.3348 -90.4936 48.2487 -84.6257 -18.3359 -84.6249 181.404 GPRESSURE: 2644400 -164.147 -67.1721 -90.5463 -93.1418 70.8154 -224.267 63.2022 19.5668 165.712 PRESSAVG: 2644400 35.0305 -20.616 -20.2761 -20.6159 -17.3436 37.5166 -20.2762 37.5165 -33.7526 GPRESSAVG: 2644400 33.6115 -18.5302 -20.8459 -21.7572 -17.5706 35.3695 -22.3889 38.2625 -32.9568 TIMING: 2644400 CPU: 7663.1, 0.00296405/step Wall: 7663.1, 0.00296405/step, 1.93947 hours remaining, 208.468750 MB of memory in use. ENERGY: 2644400 773.6303 2049.5115 1940.1587 109.0656 -206157.7774 17764.2395 0.0000 0.0000 34267.9571 -149253.2147 299.2706 -183521.1718 -149156.8708 298.7536 -12.6165 24.1269 556988.9853 -5.3552 -5.6386 PRESSURE: 2644600 49.6435 95.67 -100.403 95.6705 353.853 -11.0574 -100.402 -11.057 177.344 GPRESSURE: 2644600 101.951 73.9348 -79.9309 58.8797 296.602 85.4434 -87.8224 9.23617 265.325 PRESSAVG: 2644600 -38.9603 -27.8776 15.9871 -27.8776 17.7785 -12.3691 15.9871 -12.369 47.1266 GPRESSAVG: 2644600 -39.7483 -29.0147 17.4757 -27.5392 17.4173 -10.6202 14.894 -12.9095 48.2795 TIMING: 2644600 CPU: 7663.69, 0.00291154/step Wall: 7663.69, 0.00291154/step, 1.90496 hours remaining, 208.468750 MB of memory in use. ENERGY: 2644600 720.8366 2087.3991 1942.8658 114.7530 -206666.5965 18031.1764 0.0000 0.0000 34356.0002 -149413.5654 300.0395 -183769.5656 -149317.0576 298.4972 193.6135 221.2930 555603.1646 8.6483 8.6495 PRESSURE: 2644800 369.001 64.4108 -49.9182 64.4115 141.777 157.442 -49.9191 157.443 -1.63102 GPRESSURE: 2644800 436.131 72.6631 74.3198 70.9874 136.293 160.56 -48.4069 155.287 14.6201 PRESSAVG: 2644800 51.1221 5.36534 10.7445 5.36548 14.8336 21.6507 10.7445 21.6507 5.98313 GPRESSAVG: 2644800 53.3045 3.81323 9.91891 6.44775 14.1064 21.7701 11.1235 19.9587 4.38654 TIMING: 2644800 CPU: 7664.27, 0.00289582/step Wall: 7664.27, 0.00289582/step, 1.89451 hours remaining, 208.468750 MB of memory in use. ENERGY: 2644800 708.8845 2153.5744 1966.9884 109.8247 -206819.1145 18179.8984 0.0000 0.0000 34262.6451 -149437.2990 299.2242 -183699.9441 -149342.7873 298.7160 169.7157 195.6816 556643.5360 23.9796 23.9325 PRESSURE: 2645000 -32.5536 119.81 208.925 119.81 -204.604 71.5628 208.926 71.5638 38.2252 GPRESSURE: 2645000 -40.4414 166.023 263.589 97.9787 -147.908 -21.1416 272.731 106.832 93.7693 PRESSAVG: 2645000 27.1836 11.5414 25.1799 11.5413 -13.3841 78.0079 25.18 78.0079 -7.02782 GPRESSAVG: 2645000 26.4088 11.9284 25.0172 10.3785 -12.1942 76.4896 26.9698 79.1854 -7.6063 TIMING: 2645000 CPU: 7664.85, 0.00289596/step Wall: 7664.85, 0.00289596/step, 1.89444 hours remaining, 208.468750 MB of memory in use. ENERGY: 2645000 732.1212 2069.2350 1945.9000 105.4859 -205964.9814 17634.6338 0.0000 0.0000 33932.7083 -149544.8971 296.3428 -183477.6054 -149449.2357 299.1060 -66.3107 -31.5269 556879.5900 2.2572 2.2028 PRESSURE: 2645200 -220.701 63.9439 -107.585 63.9451 26.9917 73.833 -107.587 73.833 -173.802 GPRESSURE: 2645200 -137.201 33.9789 -98.5604 66.259 6.80075 43.5203 -86.7456 56.5882 -148.602 PRESSAVG: 2645200 20.228 -7.15847 -56.1013 -7.15837 -67.6605 -13.8008 -56.1012 -13.8008 63.2574 GPRESSAVG: 2645200 20.5585 -7.83423 -56.8218 -4.73727 -67.1128 -11.8488 -57.2607 -13.8517 63.0129 TIMING: 2645200 CPU: 7665.43, 0.00293084/step Wall: 7665.43, 0.00293084/step, 1.9171 hours remaining, 208.468750 MB of memory in use. ENERGY: 2645200 727.8504 2069.9031 1963.6122 112.6091 -206402.9362 17802.4369 0.0000 0.0000 34022.0556 -149704.4690 297.1231 -183726.5246 -149607.1397 297.6974 -122.5037 -93.0009 557819.9329 5.2749 5.4862 PRESSURE: 2645400 154.817 -123.791 6.06652 -123.791 -88.5363 15.0858 6.06699 15.0854 143.773 GPRESSURE: 2645400 187.608 -147.048 5.36396 -211.454 -96.1408 33.0198 40.2052 83.2451 206.271 PRESSAVG: 2645400 22.1405 -33.709 -45.2754 -33.709 -37.7934 -24.8807 -45.2754 -24.8806 6.97132 GPRESSAVG: 2645400 22.7487 -33.0761 -44.6764 -37.093 -38.4422 -27.7014 -46.9291 -24.6382 7.11776 TIMING: 2645400 CPU: 7666.01, 0.00290676/step Wall: 7666.01, 0.00290676/step, 1.90118 hours remaining, 208.468750 MB of memory in use. ENERGY: 2645400 762.2236 2096.2613 1943.1225 100.3635 -206494.4345 18018.7518 0.0000 0.0000 34039.3983 -149534.3135 297.2745 -183573.7118 -149436.1406 297.6766 70.0180 99.2459 556494.7175 -2.8938 -2.8586 PRESSURE: 2645600 -68.1068 -31.7212 6.27447 -31.7213 44.8158 -147.716 6.2748 -147.715 77.4933 GPRESSURE: 2645600 -37.1724 -78.7411 30.8563 44.0727 94.4523 -19.8347 10.8495 -140.187 101.727 PRESSAVG: 2645600 68.8495 19.0239 -79.8514 19.0238 -22.0527 -11.3754 -79.8513 -11.3754 -0.744088 GPRESSAVG: 2645600 68.329 19.2106 -80.6879 21.8879 -22.6108 -10.1848 -76.7144 -10.3834 0.458328 TIMING: 2645600 CPU: 7666.6, 0.00291541/step Wall: 7666.6, 0.00291541/step, 1.90668 hours remaining, 208.468750 MB of memory in use. ENERGY: 2645600 710.8564 2172.4545 1924.8380 106.0525 -206302.7977 17675.2575 0.0000 0.0000 34251.7823 -149461.5565 299.1293 -183713.3389 -149365.4511 299.5719 18.0674 53.0024 556610.7379 15.3509 15.3922 PRESSURE: 2645800 -299.665 100.551 15.5673 100.552 -130.393 -100.332 15.5671 -100.332 -286.211 GPRESSURE: 2645800 -266.604 83.7974 -17.8109 66.3553 -117.312 -36.6097 70.0319 -76.8237 -230.654 PRESSAVG: 2645800 42.6446 -28.0207 -58.7503 -28.0207 -29.0511 -6.93452 -58.7503 -6.93462 -9.81636 GPRESSAVG: 2645800 42.822 -25.694 -58.02 -30.4531 -29.204 -7.11746 -60.6161 -10.3376 -9.56776 TIMING: 2645800 CPU: 7667.18, 0.00290087/step Wall: 7667.18, 0.00290087/step, 1.89701 hours remaining, 208.468750 MB of memory in use. ENERGY: 2645800 742.6234 2075.1436 1947.3401 112.5205 -206013.8734 17323.7371 0.0000 0.0000 34499.5779 -149312.9308 301.2934 -183812.5087 -149209.4408 298.5175 -238.7564 -204.8567 557640.8172 1.2590 1.3501 PRESSURE: 2646000 76.9429 124.331 -2.39416 124.33 275.663 34.6032 -2.39385 34.6018 85.5415 GPRESSURE: 2646000 100.653 150.244 -52.429 14.3341 251.865 43.6562 9.98069 -6.25883 188.147 PRESSAVG: 2646000 -0.347436 -8.64257 -69.9029 -8.64248 63.9704 -81.5195 -69.9029 -81.5196 -27.6093 GPRESSAVG: 2646000 -1.91245 -9.98699 -71.5485 -7.94218 65.1454 -82.8014 -68.7147 -78.5004 -27.0131 TIMING: 2646000 CPU: 7667.76, 0.00291563/step Wall: 7667.76, 0.00291563/step, 1.9065 hours remaining, 208.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2646000 738.4619 2097.7317 1952.0493 104.3881 -206180.0053 17856.5984 0.0000 0.0000 33993.4790 -149437.2969 296.8735 -183430.7759 -149343.0918 298.4809 146.0491 180.2218 556067.5768 12.0046 12.0733 PRESSURE: 2646200 -32.2695 143.335 -82.5508 143.335 -162.629 -2.80696 -82.5503 -2.80806 -65.3335 GPRESSURE: 2646200 11.7373 84.6394 -129.018 224.719 -158.916 -9.48284 -112.969 21.0806 -31.1017 PRESSAVG: 2646200 38.2535 20.3277 -26.3222 20.3276 -27.8535 24.265 -26.3221 24.2649 46.4671 GPRESSAVG: 2646200 39.9992 20.1257 -24.7316 20.3423 -29.3648 23.8714 -26.205 22.1641 46.6882 TIMING: 2646200 CPU: 7668.34, 0.00290327/step Wall: 7668.34, 0.00290327/step, 1.89826 hours remaining, 208.468750 MB of memory in use. ENERGY: 2646200 735.2081 2074.3063 1919.9036 117.4680 -206186.5619 17661.7705 0.0000 0.0000 34129.1387 -149548.7668 298.0583 -183677.9054 -149451.6007 298.6090 -86.7439 -59.4268 557892.1057 18.9557 19.1075 PRESSURE: 2646400 -53.5023 50.8633 -2.43228 50.8644 56.5817 -86.8027 -2.43162 -86.8029 -46.9962 GPRESSURE: 2646400 -69.068 114.472 -18.0552 69.1826 129.218 -129.691 13.2471 -68.0257 5.70759 PRESSAVG: 2646400 14.761 85.4124 -41.8141 85.4124 -8.22656 -23.4146 -41.8142 -23.4147 -13.53 GPRESSAVG: 2646400 15.2001 85.7756 -42.0564 85.1171 -7.00079 -20.728 -41.7054 -23.7881 -14.8014 TIMING: 2646400 CPU: 7668.92, 0.00289672/step Wall: 7668.92, 0.00289672/step, 1.89381 hours remaining, 208.468750 MB of memory in use. ENERGY: 2646400 757.2604 2094.2136 1949.8368 102.9568 -206267.5669 17860.8773 0.0000 0.0000 34273.7151 -149228.7069 299.3209 -183502.4220 -149128.4087 298.2854 -14.6389 21.9525 557965.6502 -2.3318 -2.2007 PRESSURE: 2646600 20.3217 -211.767 150.231 -211.767 86.3562 -4.88544 150.231 -4.88611 45.4046 GPRESSURE: 2646600 30.3822 -209.818 179.779 -169.655 144.159 -26.0852 101.236 -2.20429 64.3144 PRESSAVG: 2646600 -8.2348 -10.6249 -24.9647 -10.6248 49.5312 -13.9264 -24.9647 -13.9265 -32.4094 GPRESSAVG: 2646600 -8.8308 -11.7772 -25.2571 -8.37457 49.4282 -15.1706 -25.2867 -13.5333 -31.7866 TIMING: 2646600 CPU: 7669.5, 0.00290815/step Wall: 7669.5, 0.00290815/step, 1.90112 hours remaining, 208.468750 MB of memory in use. ENERGY: 2646600 698.8030 2080.1852 1933.9998 111.2040 -206299.8421 17862.6619 0.0000 0.0000 34365.0065 -149247.9817 300.1181 -183612.9882 -149148.1964 299.0682 50.6942 79.6184 557769.0191 2.9623 2.9369 PRESSURE: 2646800 119.535 -59.7288 30.3444 -59.729 83.0641 -112.528 30.3442 -112.527 310.017 GPRESSURE: 2646800 108.081 -26.7873 -62.0198 -123.769 90.9274 -147.729 44.5321 -83.2458 392.935 PRESSAVG: 2646800 12.35 -7.68201 34.2287 -7.68198 -19.4156 -1.43301 34.2289 -1.43302 22.0535 GPRESSAVG: 2646800 11.7487 -7.7464 32.2867 -8.64063 -20.2241 -3.38582 33.3401 0.399781 23.0882 TIMING: 2646800 CPU: 7670.08, 0.0029074/step Wall: 7670.08, 0.0029074/step, 1.90047 hours remaining, 208.468750 MB of memory in use. ENERGY: 2646800 760.9471 2093.2668 1916.1544 107.2106 -206443.1664 18087.3674 0.0000 0.0000 34206.2474 -149271.9726 298.7317 -183478.2200 -149175.7755 299.4287 170.8719 197.3147 557072.0482 4.9959 4.8709 PRESSURE: 2647000 -96.4418 -145.958 -21.0325 -145.957 -172.111 108.929 -21.0331 108.929 -230.319 GPRESSURE: 2647000 -40.3654 -133.494 40.0925 -112.368 -149.708 90.6668 -1.83732 115.022 -217.021 PRESSAVG: 2647000 -2.06755 -42.3008 -15.673 -42.3008 -28.0377 57.1198 -15.673 57.1198 11.5803 GPRESSAVG: 2647000 -2.48895 -42.0439 -13.7335 -42.7238 -28.7183 59.0059 -13.8887 55.7651 12.3203 TIMING: 2647000 CPU: 7670.67, 0.00291257/step Wall: 7670.67, 0.00291257/step, 1.90369 hours remaining, 208.468750 MB of memory in use. ENERGY: 2647000 767.9224 2126.6165 1923.4373 121.6526 -206205.4579 17707.1471 0.0000 0.0000 34241.2007 -149317.4812 299.0369 -183558.6820 -149218.5820 299.6388 -166.2904 -135.6979 558972.3652 -6.1750 -6.2956 PRESSURE: 2647200 -100.187 23.9784 -28.5856 23.9789 -220.838 -88.6051 -28.5852 -88.6046 -18.5076 GPRESSURE: 2647200 -75.4358 77.4936 5.65125 16.9862 -234.54 -10.9103 -25.9625 -138.42 74.1839 PRESSAVG: 2647200 38.956 -34.5832 -40.2384 -34.5833 -17.5368 47.5536 -40.2384 47.5535 15.266 GPRESSAVG: 2647200 38.7145 -32.4324 -39.2883 -34.3984 -16.3319 45.1661 -42.4271 48.936 14.8172 TIMING: 2647200 CPU: 7671.25, 0.00290567/step Wall: 7671.25, 0.00290567/step, 1.89902 hours remaining, 208.468750 MB of memory in use. ENERGY: 2647200 724.4661 2119.2224 1933.4714 109.1671 -206230.5264 17538.4782 0.0000 0.0000 34380.0466 -149425.6746 300.2495 -183805.7212 -149327.9351 298.7958 -113.1774 -78.5975 557096.2165 12.2284 12.3999 PRESSURE: 2647400 73.1241 -94.385 7.61032 -94.385 48.8943 81.5204 7.61031 81.52 -77.8733 GPRESSURE: 2647400 113.737 -68.9082 -5.53718 -63.2854 88.7635 56.498 -79.9453 82.8773 -68.0207 PRESSAVG: 2647400 15.778 -7.41999 -40.5074 -7.41999 -42.6775 0.199385 -40.5074 0.199392 62.4557 GPRESSAVG: 2647400 16.7066 -8.99914 -40.7633 -6.7434 -43.0202 2.55101 -40.6855 -1.31763 61.9675 TIMING: 2647400 CPU: 7671.83, 0.00290612/step Wall: 7671.83, 0.00290612/step, 1.89915 hours remaining, 208.468750 MB of memory in use. ENERGY: 2647400 730.7226 2088.7548 1971.0130 104.1509 -206749.7102 17983.0498 0.0000 0.0000 34319.8396 -149552.1795 299.7237 -183872.0191 -149461.2631 298.9518 14.7151 44.8267 556536.9962 11.8521 11.8846 PRESSURE: 2647600 -294.24 32.6019 101.676 32.6026 -70.5648 128.603 101.675 128.602 -25.7517 GPRESSURE: 2647600 -146.398 -20.4567 99.9495 10.8379 -79.9084 90.1952 135.272 126.343 -69.6131 PRESSAVG: 2647600 9.4811 2.92181 24.5311 2.92187 -13.2423 24.0899 24.531 24.0899 -14.4179 GPRESSAVG: 2647600 10.7577 3.54814 24.8683 2.18018 -13.9328 24.9908 27.0105 22.1786 -14.9154 TIMING: 2647600 CPU: 7672.41, 0.00290167/step Wall: 7672.41, 0.00290167/step, 1.89608 hours remaining, 208.468750 MB of memory in use. ENERGY: 2647600 775.0479 2123.7088 1945.0155 103.1579 -206305.1786 17659.9167 0.0000 0.0000 34140.4579 -149557.8738 298.1571 -183698.3317 -149457.9155 298.9826 -130.1853 -98.6397 555219.2065 -6.0597 -6.0302 PRESSURE: 2647800 -53.9332 -54.6116 -6.55037 -54.612 20.6478 16.0523 -6.55119 16.0539 38.9069 GPRESSURE: 2647800 -3.01898 -154.693 35.8092 -10.3068 65.4252 97.5671 19.1345 19.716 36.188 PRESSAVG: 2647800 -22.5143 -32.9824 -41.1835 -32.9825 22.01 -22.4627 -41.1837 -22.4627 -15.4958 GPRESSAVG: 2647800 -23.3354 -31.9301 -41.2471 -32.1302 22.2331 -22.7281 -43.015 -19.8355 -15.437 TIMING: 2647800 CPU: 7672.98, 0.0028857/step Wall: 7672.98, 0.0028857/step, 1.88549 hours remaining, 208.468750 MB of memory in use. ENERGY: 2647800 763.1651 2085.4660 1939.5594 114.1379 -206415.1853 17761.8529 0.0000 0.0000 34266.5158 -149484.4882 299.2580 -183751.0039 -149373.6600 298.1229 1.8739 32.8647 555308.4344 -5.3334 -5.5131 PRESSURE: 2648000 239.735 28.236 -238.877 28.2351 379.618 -125.877 -238.877 -125.876 326.924 GPRESSURE: 2648000 277.048 33.4047 -272.925 -6.7714 371.251 -90.2044 -201.948 -102.733 396.008 PRESSAVG: 2648000 -24.1248 38.5489 -29.92 38.5488 15.4783 -27.8913 -29.9201 -27.8914 9.66553 GPRESSAVG: 2648000 -23.9445 38.7084 -28.0575 39.603 15.8884 -28.81 -28.5987 -28.166 9.38894 TIMING: 2648000 CPU: 7673.56, 0.00288131/step Wall: 7673.56, 0.00288131/step, 1.88245 hours remaining, 208.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2648000 734.2192 2123.9848 1937.7325 108.6319 -207024.4149 18345.7434 0.0000 0.0000 34337.3503 -149436.7527 299.8766 -183774.1030 -149337.9875 298.8350 315.4256 348.1023 555735.0077 0.3397 0.4443 PRESSURE: 2648200 212.313 130.387 -94.0693 130.386 -58.5447 8.11138 -94.0688 8.11255 167.508 GPRESSURE: 2648200 249.895 130.26 -45.0961 189.391 -20.7811 10.6981 -108.41 -69.8339 189.566 PRESSAVG: 2648200 1.04197 -11.7709 12.6761 -11.771 -24.0823 -16.3789 12.6763 -16.3791 67.1802 GPRESSAVG: 2648200 -0.144065 -12.8457 9.96692 -14.3993 -22.9392 -15.1442 13.2116 -17.6024 67.5205 TIMING: 2648200 CPU: 7674.14, 0.00289636/step Wall: 7674.14, 0.00289636/step, 1.89212 hours remaining, 208.468750 MB of memory in use. ENERGY: 2648200 767.0078 2107.5739 1967.0810 115.3282 -206599.1088 18010.0697 0.0000 0.0000 34063.6009 -149568.4472 297.4859 -183632.0482 -149477.7669 298.3036 107.0920 139.5598 556095.8343 14.7133 14.8124 LDB: ============= START OF LOAD BALANCING ============== 7677.53 LDB: ============== END OF LOAD BALANCING =============== 7677.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7677.53 LDB: ============= START OF LOAD BALANCING ============== 7677.82 LDB: Largest compute 4801 load 0.024392 is 20.7% of average load 0.117900 LDB: Average compute 0.001734 is 1.5% of average load 0.117900 LDB: TIME 7677.82 LOAD: AVG 0.1179 MAX 0.179359 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.469 MB LDB: TIME 7677.82 LOAD: AVG 0.1179 MAX 0.179359 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.469 MB LDB: TIME 7677.82 LOAD: AVG 0.1179 MAX 0.179359 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.469 MB LDB: ============== END OF LOAD BALANCING =============== 7677.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7677.83 PRESSURE: 2648400 -132.892 55.6887 1.1938 55.6892 103.448 146.165 1.19469 146.164 -16.0186 GPRESSURE: 2648400 -86.7294 13.745 13.0441 65.8644 144.109 30.2624 3.86684 177.11 -18.981 PRESSAVG: 2648400 -43.7963 35.2391 -20.9758 35.2391 -34.1039 -34.0522 -20.9758 -34.0522 57.4824 GPRESSAVG: 2648400 -43.8152 35.9555 -18.352 35.6081 -34.3667 -35.5748 -23.4532 -35.0636 57.3019 TIMING: 2648400 CPU: 7674.73, 0.00296988/step Wall: 7674.73, 0.00296988/step, 1.93999 hours remaining, 208.941406 MB of memory in use. ENERGY: 2648400 771.3392 2207.0720 1935.2609 129.0335 -206321.7712 17864.5216 0.0000 0.0000 33983.6987 -149430.8453 296.7881 -183414.5441 -149331.5293 299.4420 -15.1541 12.7997 558254.0059 -6.8060 -6.9600 PRESSURE: 2648600 -76.9619 -138.836 -16.5335 -138.837 -302.752 16.2707 -16.5339 16.2706 -99.2282 GPRESSURE: 2648600 -12.9396 -150.647 25.7537 -124.508 -347.64 -48.5892 -97.8893 84.5492 -30.4859 PRESSAVG: 2648600 -35.8806 -10.6966 6.69884 -10.6966 47.1188 -6.40039 6.69891 -6.40036 13.9254 GPRESSAVG: 2648600 -35.8121 -12.9787 5.54981 -9.2283 46.6182 -6.16509 6.82634 -4.49206 14.2835 TIMING: 2648600 CPU: 7675.31, 0.00288011/step Wall: 7675.31, 0.00288011/step, 1.88119 hours remaining, 209.214844 MB of memory in use. ENERGY: 2648600 791.7145 2162.6218 1947.5994 119.0595 -206180.2483 17654.1880 0.0000 0.0000 34194.0495 -149311.0156 298.6251 -183505.0651 -149212.7694 298.9469 -159.6475 -130.3552 560094.0919 8.3879 8.3632 PRESSURE: 2648800 169.487 142.734 -52.0856 142.734 72.3378 165.735 -52.0852 165.735 389.346 GPRESSURE: 2648800 181.413 129.502 -68.3329 131.476 119.987 212.34 -89.92 71.1062 425.095 PRESSAVG: 2648800 7.74028 17.9366 36.1223 17.9366 -16.9425 30.9205 36.1223 30.9204 22.5448 GPRESSAVG: 2648800 8.04279 19.778 34.7639 18.1561 -16.8513 30.153 38.918 29.8528 21.6213 TIMING: 2648800 CPU: 7675.88, 0.00287027/step Wall: 7675.88, 0.00287028/step, 1.87461 hours remaining, 209.214844 MB of memory in use. ENERGY: 2648800 754.8172 2129.3050 1964.5622 114.2349 -206748.8876 18274.6559 0.0000 0.0000 34191.4501 -149319.8623 298.6024 -183511.3123 -149221.9399 299.1952 210.3906 242.1652 556981.2605 4.4475 4.2709 PRESSURE: 2649000 66.5521 129.197 -6.66407 129.197 79.5817 -180.456 -6.66377 -180.456 334.905 GPRESSURE: 2649000 40.1652 167.301 -6.42326 130.069 190.692 -161.589 -11.9747 -108.684 352.612 PRESSAVG: 2649000 -59.2522 58.76 11.8294 58.76 25.7207 -42.4896 11.8293 -42.4896 25.0094 GPRESSAVG: 2649000 -60.8381 58.4433 11.8988 60.7696 26.846 -41.38 9.6247 -40.654 25.087 TIMING: 2649000 CPU: 7676.46, 0.00289218/step Wall: 7676.46, 0.00289218/step, 1.88875 hours remaining, 209.214844 MB of memory in use. ENERGY: 2649000 754.7263 2109.5851 1929.1729 118.5088 -206746.1483 18241.6240 0.0000 0.0000 34331.7900 -149260.7410 299.8281 -183592.5310 -149155.3510 299.4627 160.3463 194.4897 557143.5926 -2.8407 -2.9684 PRESSURE: 2649200 -290.101 -55.5106 -111.518 -55.5098 -76.1794 82.8682 -111.518 82.8692 -149.214 GPRESSURE: 2649200 -235.314 -75.0452 -113.646 49.9308 -20.7991 165.364 -109.505 6.05507 -163.332 PRESSAVG: 2649200 -3.39783 -22.5027 37.1137 -22.5028 -11.732 -25.7399 37.1137 -25.7398 19.4312 GPRESSAVG: 2649200 -0.997597 -23.1959 37.858 -24.7888 -12.2903 -26.7723 37.9034 -26.5732 17.8815 TIMING: 2649200 CPU: 7677.04, 0.00287804/step Wall: 7677.04, 0.00287804/step, 1.87936 hours remaining, 209.214844 MB of memory in use. ENERGY: 2649200 747.6462 2176.9643 1944.1554 130.9276 -206289.6573 17729.9291 0.0000 0.0000 34352.8280 -149207.2067 300.0118 -183560.0347 -149106.5904 300.2488 -171.8313 -139.8151 558021.4140 1.4338 1.5312 PRESSURE: 2649400 -36.6087 -54.0972 94.0109 -54.0981 25.1087 -51.0633 94.0104 -51.064 28.6191 GPRESSURE: 2649400 -19.4345 -115.886 127.216 -33.7338 81.3793 -57.0028 99.8099 -34.1426 44.6792 PRESSAVG: 2649400 -11.439 14.7819 -38.0257 14.7819 -4.54173 -31.2606 -38.0257 -31.2606 9.48723 GPRESSAVG: 2649400 -12.4146 17.2834 -39.2611 15.7304 -5.27674 -30.5125 -39.8305 -30.9614 11.2006 TIMING: 2649400 CPU: 7677.61, 0.00287875/step Wall: 7677.61, 0.00287875/step, 1.87967 hours remaining, 209.214844 MB of memory in use. ENERGY: 2649400 729.5359 2102.6268 1933.3710 109.3620 -206861.3527 18004.9352 0.0000 0.0000 34609.0424 -149372.4794 302.2494 -183981.5218 -149277.6449 299.8703 5.7064 35.5413 556236.7336 -2.1645 -2.1636 PRESSURE: 2649600 -266.442 85.4 41.943 85.3992 27.4367 17.7444 41.9435 17.7454 48.5256 GPRESSURE: 2649600 -175.208 130.321 28.0908 64.7468 39.2838 21.8789 125.36 -30.722 42.7393 PRESSAVG: 2649600 -55.9443 -3.37246 -24.1483 -3.3725 105.49 -18.8864 -24.1483 -18.8865 23.0349 GPRESSAVG: 2649600 -55.5894 -6.20218 -22.7388 -2.3989 104.481 -18.2787 -22.4613 -19.2713 22.8878 TIMING: 2649600 CPU: 7678.19, 0.00289081/step Wall: 7678.19, 0.00289081/step, 1.88738 hours remaining, 209.214844 MB of memory in use. ENERGY: 2649600 749.5620 2104.1546 1967.3922 115.7512 -206443.9053 17852.2056 0.0000 0.0000 34279.5823 -149375.2575 299.3721 -183654.8397 -149267.7490 299.1730 -63.4932 -31.0615 556576.0829 24.1935 23.9264 PRESSURE: 2649800 -109.634 19.711 -105.121 19.71 151.577 134.36 -105.122 134.358 -67.3416 GPRESSURE: 2649800 -17.5028 -14.9275 -77.4466 45.6612 141.458 87.0582 -103.26 154.462 -49.1648 PRESSAVG: 2649800 16.5629 -4.30549 18.4914 -4.30546 50.6942 27.3152 18.4914 27.3152 -37.1329 GPRESSAVG: 2649800 15.656 -2.94641 17.4202 -7.46935 52.4171 23.8261 19.7589 27.3995 -37.496 TIMING: 2649800 CPU: 7678.77, 0.00288403/step Wall: 7678.77, 0.00288403/step, 1.88279 hours remaining, 209.214844 MB of memory in use. ENERGY: 2649800 761.2277 2163.6652 1960.5443 97.3916 -206217.0328 17881.8206 0.0000 0.0000 34150.6554 -149201.7281 298.2462 -183352.3834 -149108.1121 299.6353 -8.4662 24.9300 556948.5524 10.0414 10.1924 PRESSURE: 2650000 -44.7326 10.1872 -67.643 10.186 -59.7103 167.879 -67.6433 167.88 -196.686 GPRESSURE: 2650000 -15.8735 18.0854 43.8281 7.44118 -53.3652 126.172 -98.5186 130.776 -133.974 PRESSAVG: 2650000 -2.9321 16.4624 -47.83 16.4625 30.6222 -23.7679 -47.8299 -23.768 -24.1619 GPRESSAVG: 2650000 -3.32569 17.3975 -48.5344 18.5241 29.5577 -23.2763 -46.9181 -23.2367 -22.619 TIMING: 2650000 CPU: 7679.35, 0.00288225/step Wall: 7679.35, 0.00288225/step, 1.88147 hours remaining, 209.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2650000 759.8160 2120.5314 1949.0982 116.1313 -206308.4086 17798.6394 0.0000 0.0000 34417.9553 -149146.2371 300.5806 -183564.1924 -149043.3216 299.8196 -100.3764 -67.7374 558656.6185 1.1761 1.2043 PRESSURE: 2650200 303.819 110.492 -47.2217 110.492 31.7996 56.2208 -47.2226 56.2211 -173.813 GPRESSURE: 2650200 338.056 121.646 -56.1252 123.036 88.2871 -48.8655 -34.0249 67.0742 -166.711 PRESSAVG: 2650200 0.12696 -5.83965 -26.042 -5.83967 67.2403 -32.1375 -26.042 -32.1374 -27.6887 GPRESSAVG: 2650200 1.16226 -7.80282 -24.6158 -4.2509 67.0899 -31.579 -27.6502 -33.8656 -28.6067 TIMING: 2650200 CPU: 7679.92, 0.00288237/step Wall: 7679.92, 0.00288237/step, 1.88138 hours remaining, 209.214844 MB of memory in use. ENERGY: 2650200 727.6012 2164.1527 1945.6486 116.0821 -206299.4420 17822.5969 0.0000 0.0000 34219.3130 -149304.0475 298.8458 -183523.3605 -149200.6433 299.0845 53.9354 86.5442 558727.1674 13.2262 13.2152 PRESSURE: 2650400 6.5122 -31.3487 121.585 -31.3473 10.5598 53.6562 121.586 53.657 -87.5984 GPRESSURE: 2650400 48.5715 -35.2576 63.3182 -51.014 46.896 45.1311 180.058 5.29549 -75.387 PRESSAVG: 2650400 -13.7835 -11.823 -31.1606 -11.8229 43.8343 22.6546 -31.1606 22.6546 -38.0179 GPRESSAVG: 2650400 -14.4686 -9.03482 -31.7326 -15.1691 44.2126 25.4536 -31.2605 23.3027 -37.4273 TIMING: 2650400 CPU: 7680.5, 0.00290391/step Wall: 7680.5, 0.00290392/step, 1.89529 hours remaining, 209.214844 MB of memory in use. ENERGY: 2650400 793.2701 2134.6855 1957.7653 102.3856 -206349.7315 17874.0752 0.0000 0.0000 34279.7363 -149207.8135 299.3735 -183487.5498 -149114.4649 299.1790 -23.5088 6.6935 558359.9683 -2.6557 -2.5611 PRESSURE: 2650600 38.4354 212.622 -43.2669 212.621 13.8656 -68.3586 -43.2678 -68.3586 -58.7625 GPRESSURE: 2650600 74.7294 175.738 -101.196 203.955 16.5419 14.2256 -65.1028 -180.412 -12.4541 PRESSAVG: 2650600 -21.6453 39.5566 52.3667 39.5566 -31.1854 23.5883 52.3668 23.5884 23.7371 GPRESSAVG: 2650600 -20.735 39.1141 55.1395 39.6678 -31.7471 23.4813 51.4889 24.725 23.5786 TIMING: 2650600 CPU: 7681.09, 0.0029124/step Wall: 7681.09, 0.0029124/step, 1.90067 hours remaining, 209.214844 MB of memory in use. ENERGY: 2650600 724.1318 2074.1920 1952.4351 112.8596 -206118.3411 17708.0876 0.0000 0.0000 34451.8507 -149094.7843 300.8766 -183546.6350 -148989.1260 299.4297 -2.1538 26.2724 559327.6496 -9.6979 -9.6345 PRESSURE: 2650800 -251.559 48.4934 153.538 48.4915 -190.293 -75.6348 153.537 -75.6348 -198.072 GPRESSURE: 2650800 -292.485 71.717 193.111 87.2398 -119.919 -117.05 134.304 -60.9569 -126.612 PRESSAVG: 2650800 5.86922 50.9599 41.0789 50.9599 11.6251 -28.6506 41.0789 -28.6507 -6.11487 GPRESSAVG: 2650800 6.05569 47.6966 39.3579 52.8254 11.5973 -31.7225 40.7188 -29.1631 -5.62707 TIMING: 2650800 CPU: 7681.67, 0.00292147/step Wall: 7681.67, 0.00292147/step, 1.90642 hours remaining, 209.214844 MB of memory in use. ENERGY: 2650800 766.9731 2143.1493 1963.0011 115.2027 -205744.8762 17529.2406 0.0000 0.0000 34200.9286 -149026.3808 298.6852 -183227.3095 -148928.2306 300.0687 -213.3079 -179.6720 560282.0005 3.7931 4.0086 PRESSURE: 2651000 2.97242 21.439 209.418 21.4389 -74.8401 -169.899 209.418 -169.9 183.545 GPRESSURE: 2651000 -28.6249 40.6582 138.312 -11.7735 24.8653 -132.203 143.085 -136.034 220.392 PRESSAVG: 2651000 -14.7985 18.526 18.9599 18.5259 -7.74012 -57.7599 18.9599 -57.7599 4.63974 GPRESSAVG: 2651000 -16.2397 19.1364 17.6152 18.8262 -6.18764 -56.9287 20.1108 -57.7595 4.57793 TIMING: 2651000 CPU: 7682.25, 0.00289652/step Wall: 7682.25, 0.00289652/step, 1.88998 hours remaining, 209.214844 MB of memory in use. ENERGY: 2651000 733.1907 2100.5069 1968.3891 103.0953 -206271.2943 18075.3980 0.0000 0.0000 34202.1194 -149088.5948 298.6956 -183290.7142 -148995.4814 299.4498 37.2257 72.2109 559016.1444 -5.9663 -5.9498 PRESSURE: 2651200 -212.131 -10.871 25.8973 -10.8716 -101.654 -4.38735 25.8969 -4.3883 153.716 GPRESSURE: 2651200 -198.186 -78.726 31.6717 -5.01176 -79.5284 29.4725 106.14 -22.7855 209.045 PRESSAVG: 2651200 -22.4418 -7.31882 69.9299 -7.31881 -37.1793 -22.6972 69.9299 -22.6972 64.8256 GPRESSAVG: 2651200 -21.0608 -5.71868 71.0576 -7.41809 -38.0407 -20.5127 68.3497 -24.5838 64.2249 TIMING: 2651200 CPU: 7682.83, 0.00289876/step Wall: 7682.83, 0.00289876/step, 1.89128 hours remaining, 209.214844 MB of memory in use. ENERGY: 2651200 726.8893 2105.4113 1982.3803 108.8993 -205796.5632 17630.2393 0.0000 0.0000 34233.0277 -149009.7160 298.9655 -183242.7437 -148922.6124 300.0805 -53.3561 -22.8899 558736.3742 1.7348 1.7078 PRESSURE: 2651400 -166.899 -3.7029 -29.731 -3.70235 220.511 -73.178 -29.7299 -73.178 237.577 GPRESSURE: 2651400 -133.914 -27.9545 40.5429 17.9353 319.836 -92.8799 -100.327 -5.14786 199.699 PRESSAVG: 2651400 -29.9169 -46.9872 -14.1445 -46.9873 -9.14661 13.9571 -14.1445 13.9572 20.5364 GPRESSAVG: 2651400 -29.4969 -46.8698 -15.0636 -47.7588 -9.31557 11.7517 -13.0703 17.2613 20.5448 TIMING: 2651400 CPU: 7683.41, 0.00290681/step Wall: 7683.41, 0.00290681/step, 1.89637 hours remaining, 209.214844 MB of memory in use. ENERGY: 2651400 771.1040 2049.0185 1960.7290 118.2037 -206162.1071 18020.2470 0.0000 0.0000 34213.7287 -149029.0762 298.7970 -183242.8049 -148926.6339 300.4634 97.0630 128.5402 557460.4662 -6.1757 -6.0892 PRESSURE: 2651600 -71.5923 -32.5503 -75.5178 -32.5509 62.2857 32.9309 -75.5179 32.9298 -22.1986 GPRESSURE: 2651600 -3.91964 -21.7213 -142.317 -67.6525 84.0438 58.1032 -98.3396 26.9977 -11.8136 PRESSAVG: 2651600 -28.8354 -77.0264 -43.4523 -77.0265 -9.82214 -0.548837 -43.4523 -0.54887 32.1883 GPRESSAVG: 2651600 -29.298 -77.3603 -44.2176 -77.0544 -8.26471 0.683235 -42.5516 -2.81395 32.2051 TIMING: 2651600 CPU: 7683.99, 0.00289215/step Wall: 7683.99, 0.00289215/step, 1.88664 hours remaining, 209.214844 MB of memory in use. ENERGY: 2651600 730.3878 2035.3561 1953.7817 116.2427 -206291.7724 17867.9691 0.0000 0.0000 34558.9260 -149029.1089 301.8117 -183588.0349 -148938.0507 300.5495 -10.5017 22.7702 558811.3656 -2.1564 -1.7859 PRESSURE: 2651800 -145.184 99.0028 112.548 99.0032 80.5794 -130.897 112.548 -130.898 287.711 GPRESSURE: 2651800 -54.3934 196.058 55.4826 72.0841 113.889 -191.089 130.522 -97.8892 258.201 PRESSAVG: 2651800 29.9761 -37.6921 27.1457 -37.6921 -32.1312 -5.15418 27.1458 -5.15437 8.16284 GPRESSAVG: 2651800 31.1903 -37.5429 28.2692 -37.5915 -32.4377 -8.33668 24.9643 -3.50834 7.47284 TIMING: 2651800 CPU: 7684.57, 0.00288902/step Wall: 7684.57, 0.00288902/step, 1.88444 hours remaining, 209.214844 MB of memory in use. ENERGY: 2651800 759.4097 2132.7675 1936.9454 132.1947 -205964.1138 17721.8022 0.0000 0.0000 34464.0104 -148816.9839 300.9828 -183280.9943 -148724.7844 300.2201 74.3687 105.8988 557638.2028 2.0026 2.0752 PRESSURE: 2652000 -300.655 47.1678 38.1532 47.1671 -182.953 -54.9649 38.1536 -54.9637 -78.0763 GPRESSURE: 2652000 -189.195 -4.78902 -24.9205 68.3429 -188.83 -45.7848 109.964 -47.5037 -89.6285 PRESSAVG: 2652000 17.3431 -12.2529 50.474 -12.2528 82.0011 -29.7286 50.474 -29.7286 -44.7507 GPRESSAVG: 2652000 17.6331 -15.4586 49.9006 -12.1999 81.1244 -25.9303 51.9213 -32.1723 -44.6228 TIMING: 2652000 CPU: 7685.14, 0.00289225/step Wall: 7685.14, 0.00289225/step, 1.88639 hours remaining, 209.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2652000 775.7696 2116.8432 1941.4348 114.8536 -205593.8919 17634.6660 0.0000 0.0000 34272.5406 -148737.7843 299.3106 -183010.3248 -148650.7764 300.5277 -187.2280 -155.8846 558156.9469 18.1978 18.0449 PRESSURE: 2652200 -137.424 -9.78394 31.0434 -9.78323 6.48365 -178.563 31.0422 -178.563 -62.1549 GPRESSURE: 2652200 -82.3701 -40.786 7.11717 103.49 39.5954 -196.185 27.6972 -106.53 -59.5761 PRESSAVG: 2652200 -57.1273 -17.3854 50.3376 -17.3852 67.4971 -37.5558 50.3375 -37.5558 0.424506 GPRESSAVG: 2652200 -58.997 -12.9913 52.6659 -19.8492 68.0594 -37.4016 49.096 -36.6025 2.28722 TIMING: 2652200 CPU: 7685.72, 0.00287718/step Wall: 7685.72, 0.00287718/step, 1.8764 hours remaining, 209.214844 MB of memory in use. ENERGY: 2652200 753.1183 2085.8953 1966.7052 112.2130 -205458.1265 17588.5577 0.0000 0.0000 34424.9081 -148526.7289 300.6413 -182951.6370 -148437.4057 300.9783 -64.3652 -34.1170 559083.9068 3.5981 3.7832 LDB: ============= START OF LOAD BALANCING ============== 7689.1 LDB: ============== END OF LOAD BALANCING =============== 7689.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7689.11 LDB: ============= START OF LOAD BALANCING ============== 7689.39 LDB: Largest compute 4800 load 0.025222 is 21.4% of average load 0.117910 LDB: Average compute 0.001738 is 1.5% of average load 0.117910 LDB: TIME 7689.4 LOAD: AVG 0.11791 MAX 0.181033 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.23 MB LDB: TIME 7689.4 LOAD: AVG 0.11791 MAX 0.181033 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.23 MB LDB: TIME 7689.4 LOAD: AVG 0.11791 MAX 0.181033 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7689.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7689.4 PRESSURE: 2652400 -275.084 21.2898 97.9587 21.2891 167.884 -9.31546 97.9585 -9.31656 14.256 GPRESSURE: 2652400 -180.028 31.1138 21.7509 36.61 108.965 15.8037 128.814 -21.8661 70.19 PRESSAVG: 2652400 -91.6152 -1.30267 22.3681 -1.30268 39.3215 15.4292 22.3681 15.4292 14.2412 GPRESSAVG: 2652400 -90.0746 -4.2017 20.472 1.54564 38.202 12.8227 21.3235 15.3828 13.6054 TIMING: 2652400 CPU: 7686.31, 0.00293245/step Wall: 7686.31, 0.00293245/step, 1.91229 hours remaining, 208.007812 MB of memory in use. ENERGY: 2652400 746.3933 2135.0560 1988.8505 126.3305 -205468.1539 17777.1462 0.0000 0.0000 34364.4620 -148329.9155 300.1134 -182694.3775 -148233.9233 300.9831 -30.9813 -0.2909 560796.2708 -12.6842 -12.7557 PRESSURE: 2652600 144.6 50.3234 16.5332 50.3241 -361.208 22.7011 16.5326 22.6998 26.7043 GPRESSURE: 2652600 161.562 81.8937 6.4015 9.97093 -317.884 87.8135 -34.8338 51.0463 60.2287 PRESSAVG: 2652600 21.6462 16.8514 24.5869 16.8514 3.93212 -9.63088 24.5869 -9.63089 -38.9483 GPRESSAVG: 2652600 21.5478 17.9059 24.5161 14.4671 4.20377 -7.77316 27.1898 -7.89267 -38.904 TIMING: 2652600 CPU: 7686.88, 0.00288818/step Wall: 7686.88, 0.00288818/step, 1.88325 hours remaining, 208.210938 MB of memory in use. ENERGY: 2652600 738.8783 2121.2906 1949.0269 100.5212 -205420.5118 17611.9485 0.0000 0.0000 34365.1783 -148533.6681 300.1196 -182898.8464 -148444.0802 301.0756 -63.3013 -32.0312 559161.6120 -4.4567 -4.3841 PRESSURE: 2652800 -202.715 34.4872 155.884 34.4876 -113.097 122.305 155.884 122.306 48.8009 GPRESSURE: 2652800 -116.396 59.03 196.049 -1.55603 -129.396 215.619 213.095 103.357 75.5808 PRESSAVG: 2652800 -0.596599 22.6199 31.5896 22.62 -66.7005 5.59541 31.5896 5.59548 5.93231 GPRESSAVG: 2652800 -0.148444 24.0857 32.2211 21.3503 -67.3423 3.72334 31.2281 7.10885 6.3475 TIMING: 2652800 CPU: 7687.46, 0.00288621/step Wall: 7687.46, 0.00288621/step, 1.88181 hours remaining, 208.410156 MB of memory in use. ENERGY: 2652800 739.7431 2099.1962 1954.2972 106.9543 -205620.5389 17680.6354 0.0000 0.0000 34528.0417 -148511.6711 301.5420 -183039.7127 -148418.0808 301.2045 -89.0038 -56.7373 558990.9252 -20.4549 -20.3811 PRESSURE: 2653000 -29.7519 21.3913 22.3078 21.392 37.3752 -180.34 22.3069 -180.339 -245.454 GPRESSURE: 2653000 -8.06359 134.864 7.1709 10.7109 19.9228 -160.291 16.4726 -201.643 -150.489 PRESSAVG: 2653000 9.40639 -17.4236 48.1958 -17.4236 -47.5485 -47.839 48.1959 -47.839 31.3235 GPRESSAVG: 2653000 9.76562 -18.3441 47.562 -15.4985 -47.2156 -46.0616 47.9851 -51.0267 31.0609 TIMING: 2653000 CPU: 7688.04, 0.00287341/step Wall: 7688.04, 0.00287341/step, 1.8733 hours remaining, 208.410156 MB of memory in use. ENERGY: 2653000 749.4764 2063.5905 1954.1652 120.1074 -205831.6052 17738.4373 0.0000 0.0000 34599.1527 -148606.6758 302.1630 -183205.8285 -148515.0077 299.6567 -79.2771 -46.2098 558513.9747 -2.2729 -2.1297 PRESSURE: 2653200 35.0609 112.295 -44.2369 112.296 -437.291 6.87087 -44.2375 6.87378 -136.132 GPRESSURE: 2653200 62.1888 71.5835 -56.3419 175.085 -360.109 -27.9826 -13.0392 -62.4665 -132.165 PRESSAVG: 2653200 58.3385 44.4897 -27.6253 44.4898 -31.9598 -3.33484 -27.6251 -3.33491 -19.0269 GPRESSAVG: 2653200 57.6091 43.9219 -27.7047 44.4078 -31.7765 -4.706 -26.2084 -1.67059 -18.7501 TIMING: 2653200 CPU: 7688.61, 0.00287666/step Wall: 7688.61, 0.00287666/step, 1.87526 hours remaining, 208.410156 MB of memory in use. ENERGY: 2653200 770.5123 2073.8329 1985.0966 116.4789 -205421.2056 17516.3727 0.0000 0.0000 34180.4436 -148778.4686 298.5063 -182958.9122 -148686.1616 300.3055 -179.4540 -143.3617 558793.6754 2.4506 2.3608 PRESSURE: 2653400 129.318 43.8923 0.314475 43.8919 65.4802 63.2317 0.314263 63.2323 -62.1013 GPRESSURE: 2653400 207.789 55.559 -0.0794897 101.748 93.2347 75.3761 20.8561 73.9983 -76.2333 PRESSAVG: 2653400 8.99393 14.8539 -42.4111 14.854 0.909229 -24.7883 -42.4111 -24.7882 -11.2094 GPRESSAVG: 2653400 9.50362 16.3026 -41.945 14.6264 0.292875 -25.1199 -44.2562 -23.5812 -11.5789 TIMING: 2653400 CPU: 7689.19, 0.0028881/step Wall: 7689.19, 0.0028881/step, 1.88256 hours remaining, 208.410156 MB of memory in use. ENERGY: 2653400 732.7063 2050.7924 1923.3968 113.0857 -205794.9245 17800.8345 0.0000 0.0000 34514.3208 -148659.7881 301.4221 -183174.1089 -148566.4404 300.7342 44.2322 74.9300 560356.9449 -0.4354 -0.5941 PRESSURE: 2653600 286.078 -63.1948 -93.5726 -63.1952 104.684 -78.9913 -93.5742 -78.9889 -88.5247 GPRESSURE: 2653600 325.86 -99.9389 -152.038 -3.60163 132.667 -64.2275 -61.4189 -122.467 -60.6791 PRESSAVG: 2653600 -2.53482 25.16 -10.3345 25.16 68.8642 -17.9076 -10.3345 -17.9076 -36.4663 GPRESSAVG: 2653600 -3.86106 23.0256 -12.3425 26.6099 69.7369 -17.2747 -5.80397 -19.2929 -36.541 TIMING: 2653600 CPU: 7689.77, 0.00288638/step Wall: 7689.77, 0.00288638/step, 1.88128 hours remaining, 208.410156 MB of memory in use. ENERGY: 2653600 709.7432 2080.1835 1990.5431 109.4231 -205809.0924 17853.7588 0.0000 0.0000 34342.2577 -148723.1831 299.9195 -183065.4408 -148632.4986 300.6914 100.7457 132.6163 559388.1428 9.9544 9.7783 PRESSURE: 2653800 1.95698 6.95889 -17.8356 6.95991 115.351 9.59036 -17.8368 9.59254 -38.1764 GPRESSURE: 2653800 13.3551 -22.4173 -23.1492 32.0011 133.416 23.3641 -33.7888 -36.0228 20.9681 PRESSAVG: 2653800 -22.6708 23.2221 -18.6513 23.2222 32.5266 16.6478 -18.6512 16.6479 -11.6659 GPRESSAVG: 2653800 -22.1622 23.5654 -18.6361 22.7108 32.0945 18.3969 -20.559 15.5411 -12.3253 TIMING: 2653800 CPU: 7690.34, 0.00287269/step Wall: 7690.34, 0.00287269/step, 1.8722 hours remaining, 208.410156 MB of memory in use. ENERGY: 2653800 712.9691 2096.6510 1965.6058 112.0694 -205942.0271 17672.6258 0.0000 0.0000 34381.2700 -149000.8361 300.2602 -183382.1061 -148902.4373 300.1184 26.3773 55.9132 558623.7686 -0.6034 -0.7977 PRESSURE: 2654000 94.7565 63.489 61.5543 63.4873 190.233 -28.3435 61.5525 -28.3413 486.182 GPRESSURE: 2654000 115.175 25.9717 26.8378 58.0668 238.062 12.5067 9.08907 -57.7999 514.924 PRESSAVG: 2654000 2.43266 24.386 -5.39753 24.3859 -10.2681 -42.1218 -5.39744 -42.1217 -27.6176 GPRESSAVG: 2654000 2.63105 24.4059 -4.91421 27.1471 -9.73206 -43.2563 -6.87015 -40.3146 -28.4761 TIMING: 2654000 CPU: 7690.92, 0.0028874/step Wall: 7690.92, 0.0028874/step, 1.88162 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2654000 747.2809 2041.3699 1949.2571 113.1807 -206597.1624 18338.4095 0.0000 0.0000 34309.7048 -149097.9594 299.6352 -183407.6642 -149008.3625 299.6992 257.0570 289.3869 558332.0792 -11.8177 -11.8590 PRESSURE: 2654200 -291.138 71.9891 -131.86 71.9892 -91.4077 -83.2649 -131.859 -83.2633 -286.281 GPRESSURE: 2654200 -233.805 105.411 -131.864 -24.6366 -67.2727 -39.327 -79.9401 -107.864 -264.208 PRESSAVG: 2654200 -27.6396 -0.101086 -4.94119 -0.101146 -4.96938 -64.8198 -4.94121 -64.8199 25.4713 GPRESSAVG: 2654200 -28.5382 -0.0233361 -3.56835 -3.81353 -4.23085 -64.8337 -4.91597 -64.3607 25.7548 TIMING: 2654200 CPU: 7691.49, 0.00288176/step Wall: 7691.49, 0.00288176/step, 1.87779 hours remaining, 208.410156 MB of memory in use. ENERGY: 2654200 740.7815 2045.0211 1952.0492 118.3334 -206053.2885 17766.2447 0.0000 0.0000 34373.9753 -149056.8833 300.1965 -183430.8586 -148961.5323 299.7514 -222.9421 -188.4284 559904.5913 -2.3792 -2.3381 PRESSURE: 2654400 -247.058 35.2113 -51.2661 35.2116 -74.5308 75.6711 -51.2654 75.6701 46.8271 GPRESSURE: 2654400 -200.503 -53.9282 -91.029 74.3843 -83.9972 147.853 -68.6722 43.5056 113.874 PRESSAVG: 2654400 -37.8169 13.6432 -34.1063 13.6432 41.4976 18.3169 -34.1062 18.3168 1.26861 GPRESSAVG: 2654400 -36.5304 14.0583 -34.5117 14.9093 40.9623 17.5109 -34.1028 18.5484 0.572022 TIMING: 2654400 CPU: 7692.07, 0.00288303/step Wall: 7692.07, 0.00288303/step, 1.87845 hours remaining, 208.410156 MB of memory in use. ENERGY: 2654400 726.0970 2046.9132 1970.0287 104.1065 -205997.9514 17607.5723 0.0000 0.0000 34502.6717 -149040.5619 301.3204 -183543.2336 -148945.0328 299.5566 -91.5874 -56.8754 559131.3556 1.6498 1.6680 PRESSURE: 2654600 -237.512 7.63871 -27.8962 7.64016 -101.396 -52.7171 -27.8954 -52.7164 -82.5882 GPRESSURE: 2654600 -202.319 -25.9276 -42.3441 59.5489 -100.97 -83.5112 -9.18772 -3.26461 -35.4355 PRESSAVG: 2654600 22.8347 -17.43 -60.9099 -17.43 -37.6033 -37.9126 -60.91 -37.9126 39.039 GPRESSAVG: 2654600 22.483 -18.0508 -61.1062 -18.2678 -36.9991 -37.0948 -60.2817 -39.8756 39.0406 TIMING: 2654600 CPU: 7692.65, 0.00288917/step Wall: 7692.65, 0.00288917/step, 1.88229 hours remaining, 208.410156 MB of memory in use. ENERGY: 2654600 759.3783 2009.9027 1939.7737 111.1958 -206071.8728 17725.9951 0.0000 0.0000 34231.4679 -149294.1593 298.9519 -183525.6271 -149198.1592 299.5798 -140.4988 -112.9081 560143.5225 8.0901 8.1748 PRESSURE: 2654800 -180.478 -122.065 -51.8169 -122.064 -79.5316 93.9043 -51.8181 93.9051 -135.674 GPRESSURE: 2654800 -162.771 -197.865 -64.1175 -74.4141 -43.2512 41.3671 -116.047 88.5945 -87.9456 PRESSAVG: 2654800 0.232792 -38.2761 2.08157 -38.2761 1.42189 26.0046 2.08155 26.0047 -10.3999 GPRESSAVG: 2654800 0.389551 -38.8785 2.09826 -37.3358 0.969468 25.7259 1.88663 26.8105 -10.0033 TIMING: 2654800 CPU: 7693.23, 0.00290497/step Wall: 7693.23, 0.00290497/step, 1.89243 hours remaining, 208.410156 MB of memory in use. ENERGY: 2654800 767.6890 2104.7812 1945.1353 111.4942 -206195.5796 17816.0847 0.0000 0.0000 34038.1125 -149412.2828 297.2633 -183450.3952 -149310.4998 298.6571 -131.8945 -97.9893 560152.9484 -2.9151 -2.8814 PRESSURE: 2655000 237.321 -54.2088 -87.0261 -54.209 -307.361 51.2075 -87.0262 51.2064 -45.8487 GPRESSURE: 2655000 293.227 40.2871 -42.3353 -85.4468 -292.075 5.58526 -141.824 4.07482 -17.087 PRESSAVG: 2655000 -54.6951 -6.19396 4.82837 -6.19397 3.33103 33.9785 4.82837 33.9783 55.0827 GPRESSAVG: 2655000 -53.8146 -4.12218 4.58652 -6.37538 3.60103 32.5829 5.09456 31.2602 53.9816 TIMING: 2655000 CPU: 7693.81, 0.00289095/step Wall: 7693.81, 0.00289095/step, 1.88313 hours remaining, 208.410156 MB of memory in use. ENERGY: 2655000 712.3376 2075.4568 1972.1748 105.4682 -206113.8716 17806.4543 0.0000 0.0000 34122.8007 -149319.1793 298.0029 -183441.9800 -149225.9186 299.0840 -38.6295 -5.3116 558811.4772 1.2395 1.2560 PRESSURE: 2655200 168.33 -84.3219 139.787 -84.3209 -11.5004 -81.46 139.788 -81.4579 -218.487 GPRESSURE: 2655200 186.571 -116.097 142.817 16.2972 18.0865 -72.5223 136.207 -75.4715 -176.521 PRESSAVG: 2655200 59.8958 -24.8578 -20.3505 -24.8579 -42.8429 -7.83745 -20.3503 -7.83753 10.0056 GPRESSAVG: 2655200 59.8498 -25.0161 -20.6704 -24.3557 -43.3611 -6.61541 -20.5229 -6.83734 10.3414 TIMING: 2655200 CPU: 7694.39, 0.00290053/step Wall: 7694.39, 0.00290053/step, 1.88921 hours remaining, 208.410156 MB of memory in use. ENERGY: 2655200 730.2385 2085.2104 1987.6979 112.7353 -206690.4201 18063.4511 0.0000 0.0000 34420.6889 -149290.3980 300.6044 -183711.0869 -149198.0412 299.6253 -20.5522 9.3790 558027.5565 9.0195 8.9434 PRESSURE: 2655400 -62.0838 -165.347 97.6226 -165.348 63.0814 -12.2523 97.6228 -12.2522 180.452 GPRESSURE: 2655400 0.876073 -89.466 128.36 -141.314 163.479 -56.9645 136.622 15.4819 111.566 PRESSAVG: 2655400 5.44193 46.3105 5.63805 46.3105 41.3428 5.20072 5.63806 5.20076 -47.2141 GPRESSAVG: 2655400 4.52525 47.0904 7.23693 43.3338 42.8779 6.8619 5.28098 3.70575 -48.128 TIMING: 2655400 CPU: 7694.97, 0.00289339/step Wall: 7694.97, 0.00289339/step, 1.8844 hours remaining, 208.410156 MB of memory in use. ENERGY: 2655400 781.7579 2136.5642 1939.1986 108.0013 -206711.7445 18123.7633 0.0000 0.0000 34320.6898 -149301.7694 299.7311 -183622.4592 -149210.9066 299.8583 60.4833 91.9739 557096.5113 -0.1431 -0.2416 PRESSURE: 2655600 85.5467 -99.0257 215.519 -99.0262 61.1169 216.121 215.519 216.121 247.759 GPRESSURE: 2655600 169.11 -72.7749 126.736 -86.2979 58.7896 154.033 272.046 175.922 253.232 PRESSAVG: 2655600 -33.4256 -14.1739 19.4693 -14.1738 74.8856 66.2224 19.4692 66.2223 -48.8788 GPRESSAVG: 2655600 -32.8226 -16.3797 17.0494 -11.9617 73.3807 64.8562 21.434 68.5847 -48.3197 TIMING: 2655600 CPU: 7695.55, 0.00289471/step Wall: 7695.55, 0.00289471/step, 1.8851 hours remaining, 208.410156 MB of memory in use. ENERGY: 2655600 728.3970 2178.4062 1934.9485 116.3642 -206425.0767 17833.6020 0.0000 0.0000 34338.2090 -149295.1498 299.8841 -183633.3588 -149205.4229 299.9202 131.4742 160.3771 557045.2788 -2.4729 -2.5872 PRESSURE: 2655800 -14.6906 108.587 19.5923 108.587 -63.379 32.3487 19.5917 32.3499 -287.918 GPRESSURE: 2655800 30.6942 64.8384 75.4761 167.885 -25.1367 -48.2605 -86.8373 117.561 -281.077 PRESSAVG: 2655800 -78.2714 33.2832 40.7059 33.2832 28.1481 41.8955 40.7059 41.8956 47.4855 GPRESSAVG: 2655800 -79.0134 34.8811 42.7009 33.8387 28.1604 45.5418 38.2031 39.971 48.0862 TIMING: 2655800 CPU: 7696.12, 0.00288825/step Wall: 7696.12, 0.00288825/step, 1.88073 hours remaining, 208.410156 MB of memory in use. ENERGY: 2655800 753.8068 2142.8861 1976.4661 112.2116 -206333.4319 17821.7324 0.0000 0.0000 34158.6430 -149367.6858 298.3159 -183526.3289 -149273.1960 299.3202 -121.9960 -91.8397 558519.3429 -0.8793 -0.9223 PRESSURE: 2656000 -173.645 41.5991 11.7415 41.5997 -71.2612 -20.4308 11.7417 -20.4309 -245.038 GPRESSURE: 2656000 -80.3223 118.572 119.006 21.8014 -55.9911 79.5081 26.8083 -75.8142 -235.023 PRESSAVG: 2656000 -14.591 64.7963 36.9142 64.7963 98.875 -12.0722 36.9142 -12.0721 -40.4242 GPRESSAVG: 2656000 -15.1965 64.7126 35.8221 64.2217 100.656 -13.427 39.5755 -10.7693 -41.8875 TIMING: 2656000 CPU: 7696.7, 0.00288472/step Wall: 7696.7, 0.00288472/step, 1.87827 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2656000 743.9713 2195.2882 1931.7489 115.1504 -206090.4363 17467.7673 0.0000 0.0000 34343.4197 -149293.0905 299.9296 -183636.5102 -149190.7140 298.7235 -163.3148 -123.7788 557241.1193 14.6199 14.5241 PRESSURE: 2656200 -241.154 -149.888 212.566 -149.889 -43.3365 13.7406 212.566 13.7417 -382.213 GPRESSURE: 2656200 -238.929 -133.893 144.267 -128.652 19.9909 57.3042 170.378 -52.377 -339.493 PRESSAVG: 2656200 5.65056 45.1696 -27.3592 45.1695 30.8244 17.5368 -27.3591 17.5367 -77.3763 GPRESSAVG: 2656200 6.37662 44.8027 -25.9651 45.0377 29.9837 15.5986 -30.0615 16.1201 -77.3846 TIMING: 2656200 CPU: 7697.28, 0.00287996/step Wall: 7697.28, 0.00287996/step, 1.87501 hours remaining, 208.410156 MB of memory in use. ENERGY: 2656200 806.3373 2121.0155 1947.8567 112.3111 -206292.6646 17531.5949 0.0000 0.0000 34410.1590 -149363.3902 300.5125 -183773.5492 -149259.5195 299.0917 -222.2346 -186.1436 557851.0904 -13.6338 -13.6747 LDB: ============= START OF LOAD BALANCING ============== 7700.66 LDB: ============== END OF LOAD BALANCING =============== 7700.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7700.66 LDB: ============= START OF LOAD BALANCING ============== 7700.95 LDB: Largest compute 4800 load 0.025783 is 21.9% of average load 0.117896 LDB: Average compute 0.001736 is 1.5% of average load 0.117896 LDB: TIME 7700.96 LOAD: AVG 0.117896 MAX 0.180627 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.699 MB LDB: TIME 7700.96 LOAD: AVG 0.117896 MAX 0.180627 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.699 MB LDB: TIME 7700.96 LOAD: AVG 0.117896 MAX 0.180627 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.699 MB LDB: ============== END OF LOAD BALANCING =============== 7700.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7700.96 PRESSURE: 2656400 207.352 -123.869 -11.7858 -123.868 90.7134 106.102 -11.7863 106.102 8.57375 GPRESSURE: 2656400 215.033 -103.79 14.3912 -105.301 100.663 123.808 -115.463 129.646 75.6479 PRESSAVG: 2656400 25.8331 -2.00861 32.52 -2.00857 53.9354 -13.4885 32.52 -13.4885 -69.9115 GPRESSAVG: 2656400 25.1858 -1.9655 31.6767 -1.99257 52.0047 -13.3723 31.772 -11.9557 -67.762 TIMING: 2656400 CPU: 7697.87, 0.00295011/step Wall: 7697.87, 0.00295011/step, 1.92052 hours remaining, 208.980469 MB of memory in use. ENERGY: 2656400 712.2986 2100.0391 1967.7698 111.9788 -206306.6388 18035.8460 0.0000 0.0000 34073.5100 -149305.1966 297.5724 -183378.7066 -149207.9443 299.2581 102.2131 130.4481 558353.0073 3.2857 3.1428 PRESSURE: 2656600 -284.297 -31.4809 19.6543 -31.4795 -363.761 219.436 19.6542 219.437 -278.729 GPRESSURE: 2656600 -246.627 -38.6291 -80.4752 -12.2169 -327.443 237.289 46.8605 235.518 -244.637 PRESSAVG: 2656600 46.9593 18.6688 44.7932 18.6688 62.5768 95.8914 44.7933 95.8913 -49.4353 GPRESSAVG: 2656600 47.9073 17.282 44.7348 19.0731 62.872 95.9244 46.5021 95.6095 -50.7414 TIMING: 2656600 CPU: 7698.45, 0.00290139/step Wall: 7698.45, 0.00290139/step, 1.88864 hours remaining, 209.050781 MB of memory in use. ENERGY: 2656600 793.2396 2060.1678 1932.0313 113.4962 -205953.0633 17529.4642 0.0000 0.0000 34169.8958 -149354.7684 298.4142 -183524.6642 -149261.9637 299.4618 -308.9287 -272.9024 559004.3455 20.0336 20.0126 PRESSURE: 2656800 135.044 -105.7 -72.4368 -105.7 123.111 -10.6321 -72.4375 -10.632 -382.02 GPRESSURE: 2656800 177.297 -109.525 -4.33706 -70.0985 107.407 7.73913 -14.1686 -8.09345 -311.679 PRESSAVG: 2656800 14.9477 -39.7455 -5.19458 -39.7454 -18.9351 31.6466 -5.19453 31.6469 -4.01657 GPRESSAVG: 2656800 13.6415 -38.7386 -5.84839 -40.5037 -17.683 30.5559 -6.05358 34.1653 -3.6968 TIMING: 2656800 CPU: 7699.03, 0.00289971/step Wall: 7699.03, 0.00289971/step, 1.88739 hours remaining, 209.050781 MB of memory in use. ENERGY: 2656800 770.8742 2087.6619 1950.3969 115.6913 -206371.0229 17859.7220 0.0000 0.0000 34295.1679 -149291.5089 299.5082 -183586.6767 -149198.2951 299.0541 -41.2882 -8.9916 557619.9274 -2.6680 -2.5794 PRESSURE: 2657000 -65.3004 101.067 132.72 101.068 -20.0672 -47.7737 132.72 -47.7727 5.09758 GPRESSURE: 2657000 -44.6399 148.796 125.457 33.2172 35.119 -121.554 149.604 -3.55451 18.7943 PRESSAVG: 2657000 63.1821 -2.15888 8.21009 -2.15886 -3.5624 -10.5414 8.21019 -10.5414 -84.5741 GPRESSAVG: 2657000 63.7029 -2.83618 7.55844 -3.29021 -4.70159 -9.25263 9.16183 -13.5564 -83.9105 TIMING: 2657000 CPU: 7699.61, 0.00289408/step Wall: 7699.61, 0.00289408/step, 1.88357 hours remaining, 209.050781 MB of memory in use. ENERGY: 2657000 749.7905 2181.9411 1956.3849 122.8578 -205913.1670 17610.9868 0.0000 0.0000 34185.9420 -149105.2639 298.5543 -183291.2059 -149007.8441 299.0829 -26.7567 3.0911 556630.5666 -8.3181 -8.3031 PRESSURE: 2657200 11.0666 54.1451 87.1077 54.145 148.916 128.367 87.1073 128.367 204.823 GPRESSURE: 2657200 102.698 63.3963 130.493 83.0496 143.578 167.087 45.7915 220.138 209.725 PRESSAVG: 2657200 -28.5404 53.5041 25.7609 53.504 42.5533 -62.9958 25.761 -62.9958 -52.0761 GPRESSAVG: 2657200 -29.3008 53.8536 27.9496 55.1832 43.995 -63.0294 23.8666 -60.9641 -52.3574 TIMING: 2657200 CPU: 7700.18, 0.00289152/step Wall: 7700.18, 0.00289152/step, 1.88174 hours remaining, 209.050781 MB of memory in use. ENERGY: 2657200 738.9344 2146.7641 1935.4839 105.6332 -205941.2978 17730.9294 0.0000 0.0000 34169.5003 -149114.0525 298.4107 -183283.5528 -149017.3677 299.1136 121.6018 152.0003 557058.9012 -12.6878 -12.5544 PRESSURE: 2657400 33.2567 30.923 50.0716 30.9221 53.043 -133.99 50.0711 -133.99 59.4338 GPRESSURE: 2657400 114.627 -6.71022 45.9891 43.2279 67.4085 -149.2 -97.3969 -97.4263 53.4943 PRESSAVG: 2657400 22.3577 49.5763 -9.80541 49.5763 19.4224 -9.46598 -9.80546 -9.46601 -37.1275 GPRESSAVG: 2657400 23.3149 50.4962 -12.007 48.5945 18.8509 -9.42593 -7.78042 -9.4874 -38.0193 TIMING: 2657400 CPU: 7700.76, 0.00289734/step Wall: 7700.76, 0.00289734/step, 1.88536 hours remaining, 209.050781 MB of memory in use. ENERGY: 2657400 750.4997 2076.4489 1949.8758 114.3126 -206258.9535 17854.0700 0.0000 0.0000 34316.7287 -149197.0176 299.6965 -183513.7463 -149094.3068 299.6830 48.5778 78.5099 557179.9028 1.5509 1.3822 PRESSURE: 2657600 155.733 -142.017 37.7969 -142.018 191.857 -162.785 37.7964 -162.784 50.943 GPRESSURE: 2657600 185.52 -114.005 27.1335 -183.876 211.11 -124.135 12.683 -189.122 91.7248 PRESSAVG: 2657600 21.2182 -2.8059 57.3926 -2.80595 11.2188 -18.0722 57.3926 -18.0722 -34.1249 GPRESSAVG: 2657600 20.8299 -3.87095 57.5142 -4.38866 11.1999 -18.3718 57.5858 -20.3327 -33.8759 TIMING: 2657600 CPU: 7701.34, 0.00288691/step Wall: 7701.34, 0.00288691/step, 1.87842 hours remaining, 209.050781 MB of memory in use. ENERGY: 2657600 732.4605 2121.6539 1949.3930 113.9229 -206396.7142 18062.7072 0.0000 0.0000 34182.9739 -149233.6028 298.5284 -183416.5767 -149135.9392 299.4685 132.8442 162.7850 558082.2787 -0.5626 -0.6154 PRESSURE: 2657800 -334.226 216.126 112.442 216.128 -32.3918 -155.364 112.444 -155.363 38.9316 GPRESSURE: 2657800 -252.958 240.333 71.6916 212.484 -42.4827 -109.259 134.889 -187.615 65.3952 PRESSAVG: 2657800 -12.1804 84.8494 -21.1773 84.8494 11.6051 -65.7573 -21.1773 -65.7573 12.7612 GPRESSAVG: 2657800 -13.0607 85.5409 -19.0302 87.6936 10.4261 -66.6752 -21.663 -64.9584 14.29 TIMING: 2657800 CPU: 7701.92, 0.00290539/step Wall: 7701.92, 0.00290539/step, 1.89028 hours remaining, 209.050781 MB of memory in use. ENERGY: 2657800 756.8382 2092.1406 1947.3731 118.1809 -206122.4711 17763.8893 0.0000 0.0000 34310.8153 -149133.2337 299.6449 -183444.0491 -149030.6138 299.2626 -109.2288 -76.6817 558199.2061 4.0620 3.8851 PRESSURE: 2658000 -319.085 19.1378 7.55417 19.136 -281.401 -137.886 7.55399 -137.883 -400.787 GPRESSURE: 2658000 -314.013 -16.67 -86.8172 71.8653 -277.782 -174.752 11.4484 -61.1177 -315.788 PRESSAVG: 2658000 -6.58588 60.6545 10.8353 60.6545 -2.67408 -12.8764 10.8354 -12.8764 26.3733 GPRESSAVG: 2658000 -5.86155 59.8266 11.5474 59.3125 -2.3192 -13.8014 10.1665 -10.1029 25.0698 TIMING: 2658000 CPU: 7702.5, 0.00289672/step Wall: 7702.5, 0.00289672/step, 1.88448 hours remaining, 209.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2658000 775.3534 2083.7494 1977.8519 135.0026 -205732.3423 17301.1004 0.0000 0.0000 34204.6510 -149254.6336 298.7177 -183459.2847 -149159.7626 299.7629 -333.7575 -302.5278 557634.9409 5.7045 5.6297 PRESSURE: 2658200 -7.62209 41.3059 247.567 41.3062 -43.2899 -15.0432 247.567 -15.043 -189.079 GPRESSURE: 2658200 -20.9033 31.3784 190.747 68.5414 21.2574 31.1324 341.347 13.3345 -137.199 PRESSAVG: 2658200 15.0441 -4.96937 50.3611 -4.96933 20.2435 -7.66047 50.3612 -7.66043 -47.9159 GPRESSAVG: 2658200 14.1594 -3.36251 48.7756 -4.61963 21.4235 -7.01608 50.5235 -9.20527 -47.9111 TIMING: 2658200 CPU: 7703.08, 0.00290461/step Wall: 7703.08, 0.00290461/step, 1.88945 hours remaining, 209.050781 MB of memory in use. ENERGY: 2658200 739.8234 2053.8744 1933.2568 116.1013 -205835.2339 17473.0592 0.0000 0.0000 34335.5761 -149183.5427 299.8611 -183519.1188 -149090.4894 299.7908 -79.9969 -45.6149 555361.3220 -4.2094 -4.1094 PRESSURE: 2658400 -212.529 -140.88 111.989 -140.88 -161.094 -44.8875 111.991 -44.8868 -75.9916 GPRESSURE: 2658400 -157.362 -192.483 118.535 -82.5678 -149.49 -21.3889 39.2005 -54.2677 -49.8563 PRESSAVG: 2658400 54.225 -56.3876 -17.8559 -56.3876 0.332152 -42.8396 -17.8559 -42.8397 -8.61328 GPRESSAVG: 2658400 54.4717 -58.4972 -16.4958 -54.8059 -1.3627 -41.8746 -18.0841 -45.11 -7.8024 TIMING: 2658400 CPU: 7703.66, 0.00290441/step Wall: 7703.66, 0.00290441/step, 1.88915 hours remaining, 209.050781 MB of memory in use. ENERGY: 2658400 764.7659 2045.1805 1937.9289 107.1241 -206023.3788 17652.0866 0.0000 0.0000 34330.0392 -149186.2536 299.8128 -183516.2928 -149087.5198 299.8876 -149.8715 -118.9026 556719.0642 15.3146 15.1022 PRESSURE: 2658600 -358.875 -6.39788 231.913 -6.39746 -233.303 18.7495 231.913 18.7482 -66.3301 GPRESSURE: 2658600 -393.597 9.88977 246.143 24.0836 -170.086 -25.283 175.833 -2.13805 -3.12809 PRESSAVG: 2658600 13.6085 12.9914 -12.6527 12.9915 -33.1185 -27.506 -12.6526 -27.5061 45.7953 GPRESSAVG: 2658600 14.0772 14.6501 -14.9038 13.3932 -33.3768 -30.4084 -11.4754 -25.2606 45.9014 TIMING: 2658600 CPU: 7704.24, 0.00289842/step Wall: 7704.24, 0.00289842/step, 1.8851 hours remaining, 209.050781 MB of memory in use. ENERGY: 2658600 789.4549 2132.4910 1954.9527 112.2901 -206179.1125 17788.0728 0.0000 0.0000 34457.9846 -148943.8664 300.9301 -183401.8510 -148859.7588 300.0080 -219.5029 -188.9373 558816.2822 8.7618 8.8673 PRESSURE: 2658800 -114.906 -46.7188 83.3376 -46.7193 -214.127 141.311 83.3375 141.311 71.805 GPRESSURE: 2658800 -80.4285 -11.8273 130.624 -23.2755 -187.843 149.408 47.5671 130.792 103.598 PRESSAVG: 2658800 -8.15962 20.9983 -29.2462 20.9984 -15.8337 30.7401 -29.2461 30.7401 -2.37283 GPRESSAVG: 2658800 -8.99571 19.0561 -28.3876 21.8315 -14.6207 32.321 -28.9889 29.7835 -3.20488 TIMING: 2658800 CPU: 7704.82, 0.00290513/step Wall: 7704.82, 0.00290513/step, 1.8893 hours remaining, 209.050781 MB of memory in use. ENERGY: 2658800 764.4832 2095.0482 1938.0430 110.7871 -205742.2752 17547.1050 0.0000 0.0000 34356.9733 -148929.8353 300.0480 -183286.8086 -148836.7770 299.9442 -85.7428 -54.8911 557634.2620 -8.7887 -8.9404 PRESSURE: 2659000 -227.251 4.03755 17.6955 4.03784 -297.03 60.0552 17.6955 60.0556 9.70784 GPRESSURE: 2659000 -183.228 21.6409 -69.9921 6.67006 -262.435 134.583 -0.954757 -4.25417 30.3885 PRESSAVG: 2659000 -78.6506 45.7157 0.2435 45.7158 13.0577 25.0963 0.243536 25.0963 34.8711 GPRESSAVG: 2659000 -78.2555 47.246 1.64084 43.9718 12.3935 23.6174 -2.09906 24.7153 35.4742 TIMING: 2659000 CPU: 7705.4, 0.00290141/step Wall: 7705.4, 0.00290141/step, 1.88672 hours remaining, 209.050781 MB of memory in use. ENERGY: 2659000 735.5290 2120.5616 1966.0059 119.5684 -205488.7770 17389.8772 0.0000 0.0000 34382.1758 -148775.0593 300.2681 -183157.2350 -148679.9686 300.8493 -171.5244 -138.4248 558688.6302 -10.2406 -10.1293 PRESSURE: 2659200 61.6031 196.716 -28.2353 196.716 154.942 -0.925046 -28.2339 -0.926745 -168.61 GPRESSURE: 2659200 43.9749 191.864 -50.6985 208.785 219.094 -47.5396 7.93862 -15.6538 -135.742 PRESSAVG: 2659200 103.329 24.49 27.8551 24.49 -109.07 38.405 27.8552 38.4051 2.33913 GPRESSAVG: 2659200 102.926 24.6936 27.958 24.0398 -109.107 40.378 28.9231 36.7127 2.86248 TIMING: 2659200 CPU: 7705.98, 0.00289998/step Wall: 7705.98, 0.00289998/step, 1.88563 hours remaining, 209.050781 MB of memory in use. ENERGY: 2659200 769.2708 2095.3241 1952.0340 123.4478 -206152.3837 17972.9996 0.0000 0.0000 34350.3248 -148888.9826 299.9899 -183239.3075 -148790.2530 299.5756 15.9785 42.4422 557888.0608 -1.1337 -1.1061 PRESSURE: 2659400 -297.168 49.005 -66.4556 49.0048 -286.373 19.4072 -66.4558 19.4092 -168.853 GPRESSURE: 2659400 -262.422 119.426 -103.822 170.961 -289.004 -12.1301 -55.2073 24.1426 -109.402 PRESSAVG: 2659400 -13.0165 54.2181 -27.139 54.2181 -35.5261 -35.9748 -27.1389 -35.9749 50.2059 GPRESSAVG: 2659400 -13.333 54.4126 -27.015 55.265 -36.0637 -35.6737 -28.1333 -34.221 51.0512 TIMING: 2659400 CPU: 7706.56, 0.00289385/step Wall: 7706.56, 0.00289385/step, 1.88148 hours remaining, 209.050781 MB of memory in use. ENERGY: 2659400 786.5288 2105.2784 1935.6066 115.8653 -205889.3184 17560.6087 0.0000 0.0000 34398.9866 -148986.4440 300.4149 -183385.4306 -148886.1732 299.9209 -250.7982 -220.2763 558160.9660 0.5545 0.5515 PRESSURE: 2659600 6.02772 134.725 4.4605 134.726 66.017 7.03927 4.45969 7.03746 -225.005 GPRESSURE: 2659600 24.0291 95.6491 -73.4511 194.232 103.667 47.5846 46.2704 98.2167 -185.669 PRESSAVG: 2659600 -4.01173 75.7717 -71.769 75.7716 -33.9988 -2.22198 -71.769 -2.22199 45.1953 GPRESSAVG: 2659600 -1.37445 75.5474 -72.5862 75.0359 -34.5644 -3.97396 -70.3873 -1.63011 43.3578 TIMING: 2659600 CPU: 7707.14, 0.00288476/step Wall: 7707.14, 0.00288476/step, 1.87541 hours remaining, 209.050781 MB of memory in use. ENERGY: 2659600 760.2302 2066.6893 1933.8604 122.7533 -205759.5763 17606.5326 0.0000 0.0000 34443.0525 -148826.4579 300.7997 -183269.5104 -148722.8883 299.9847 -50.9867 -19.3244 558192.3357 2.3949 2.4730 PRESSURE: 2659800 285.393 19.8042 28.7731 19.804 174.284 -38.1919 28.7741 -38.1917 359.738 GPRESSURE: 2659800 328.598 84.683 -52.8802 10.4605 238.116 -80.7616 55.942 -8.97526 343.948 PRESSAVG: 2659800 21.6812 31.9384 -4.29942 31.9383 -9.11845 -0.0648261 -4.29943 -0.0649215 -27.8458 GPRESSAVG: 2659800 20.4187 32.0291 -4.3539 32.4039 -7.98899 0.933901 -4.35867 -0.975347 -27.98 TIMING: 2659800 CPU: 7707.72, 0.00289617/step Wall: 7707.72, 0.00289617/step, 1.88267 hours remaining, 209.050781 MB of memory in use. ENERGY: 2659800 708.9465 2114.9791 1939.9610 114.0606 -206529.7423 18186.8369 0.0000 0.0000 34432.9141 -149032.0440 300.7112 -183464.9581 -148930.7458 299.8114 273.1383 303.5541 555979.3636 -5.0944 -5.1834 PRESSURE: 2660000 -98.8926 24.1014 -93.7776 24.1007 -119.665 152.358 -93.7774 152.357 142.3 GPRESSURE: 2660000 -111.127 48.8941 -97.46 71.2388 -66.0801 144.225 -140.758 167.621 200.168 PRESSAVG: 2660000 76.0986 32.4645 -32.6803 32.4645 -55.5234 -37.5644 -32.6803 -37.5644 24.5014 GPRESSAVG: 2660000 75.1908 33.0648 -31.5398 31.6024 -56.8412 -36.1013 -33.8731 -37.9221 26.9129 TIMING: 2660000 CPU: 7708.3, 0.00290168/step Wall: 7708.3, 0.00290168/step, 1.88609 hours remaining, 209.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2660000 773.4699 2070.1393 1950.3385 122.4668 -205812.6623 17731.2213 0.0000 0.0000 34267.6005 -148897.4260 299.2675 -183165.0265 -148802.3380 299.7135 -25.4192 7.6536 558298.7237 15.0255 15.0875 PRESSURE: 2660200 -33.4154 -9.70126 -268.43 -9.70065 -342.953 -68.1484 -268.429 -68.1471 10.7496 GPRESSURE: 2660200 9.10617 58.2867 -280.222 -29.7451 -346.995 -106.144 -167.299 -40.0712 68.0845 PRESSAVG: 2660200 -3.36372 69.515 -55.9535 69.515 -13.57 -26.6927 -55.9535 -26.6927 58.5558 GPRESSAVG: 2660200 -1.87443 68.4117 -55.497 70.1852 -13.0293 -27.7316 -53.9947 -25.2625 56.5282 TIMING: 2660200 CPU: 7708.88, 0.0028979/step Wall: 7708.88, 0.0028979/step, 1.88347 hours remaining, 209.050781 MB of memory in use. ENERGY: 2660200 760.1836 2116.6281 1932.0069 112.8535 -205497.1854 17426.2535 0.0000 0.0000 34393.7492 -148755.5106 300.3692 -183149.2598 -148662.5344 300.2707 -121.8728 -89.9347 557629.6981 13.8740 13.8748 LDB: ============= START OF LOAD BALANCING ============== 7712.26 LDB: ============== END OF LOAD BALANCING =============== 7712.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7712.27 LDB: ============= START OF LOAD BALANCING ============== 7712.55 LDB: Largest compute 4800 load 0.024783 is 21.0% of average load 0.117949 LDB: Average compute 0.001737 is 1.5% of average load 0.117949 LDB: TIME 7712.56 LOAD: AVG 0.117949 MAX 0.182019 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.359 MB LDB: TIME 7712.56 LOAD: AVG 0.117949 MAX 0.182019 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.559 MB LDB: TIME 7712.56 LOAD: AVG 0.117949 MAX 0.182019 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.559 MB LDB: ============== END OF LOAD BALANCING =============== 7712.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7712.56 PRESSURE: 2660400 56.5471 36.4418 -84.1885 36.4413 -144.054 103.51 -84.1895 103.511 -118.306 GPRESSURE: 2660400 146.951 -1.8949 -8.85331 40.302 -183.501 73.0465 -124.592 130.237 -91.6968 PRESSAVG: 2660400 -5.9631 54.252 -36.9537 54.252 43.2735 -25.2114 -36.9537 -25.2114 12.8726 GPRESSAVG: 2660400 -6.055 56.0096 -37.1198 53.7908 43.4677 -24.5814 -38.6854 -25.8073 12.2506 TIMING: 2660400 CPU: 7709.47, 0.00293802/step Wall: 7709.47, 0.00293802/step, 1.90939 hours remaining, 207.964844 MB of memory in use. ENERGY: 2660400 726.9671 2107.2773 1944.1068 114.4628 -205899.3984 17632.5865 0.0000 0.0000 34504.1737 -148869.8243 301.3335 -183373.9980 -148773.2399 301.1211 -68.6043 -42.7489 558410.2076 16.7276 16.5544 PRESSURE: 2660600 -140.194 -256.35 35.0143 -256.35 110.481 10.0767 35.0132 10.0789 332.405 GPRESSURE: 2660600 -127.572 -242.287 -36.0428 -216.393 205.517 75.5414 73.9317 -37.3511 330.289 PRESSAVG: 2660600 -3.0095 60.5863 -18.3216 60.5863 35.8832 -8.87555 -18.3217 -8.87551 4.3659 GPRESSAVG: 2660600 -4.31676 58.4204 -18.3486 61.6916 36.6592 -9.05244 -17.3455 -9.27841 4.58807 TIMING: 2660600 CPU: 7710.04, 0.00287527/step Wall: 7710.04, 0.00287527/step, 1.86845 hours remaining, 208.144531 MB of memory in use. ENERGY: 2660600 783.5180 2095.1368 1967.2367 105.9151 -205833.5382 17859.0831 0.0000 0.0000 34216.2408 -148806.4077 298.8189 -183022.6485 -148708.8504 300.6181 100.8972 136.0779 557688.3776 12.4132 12.3102 PRESSURE: 2660800 75.7229 140.18 -52.2297 140.181 -78.6469 -54.8299 -52.2297 -54.8283 -84.8832 GPRESSURE: 2660800 88.221 118.951 -117.273 92.5587 -61.1549 -4.43491 -123.303 -52.4689 -29.8311 PRESSAVG: 2660800 -35.6693 -37.7467 -1.17731 -37.7468 65.668 -34.3563 -1.17735 -34.3563 3.65087 GPRESSAVG: 2660800 -36.4246 -38.0099 -2.38487 -37.2541 66.5246 -33.6483 -1.99475 -35.5479 3.5851 TIMING: 2660800 CPU: 7710.62, 0.00287156/step Wall: 7710.62, 0.00287156/step, 1.86587 hours remaining, 208.144531 MB of memory in use. ENERGY: 2660800 745.4205 2101.4569 1988.9537 125.9427 -205903.0204 17705.2807 0.0000 0.0000 34383.3323 -148852.6337 300.2782 -183235.9659 -148753.4953 300.1518 -29.2691 -0.9217 558934.6755 11.2165 11.2284 PRESSURE: 2661000 166.38 -16.2848 -85.2926 -16.2849 333.714 39.7468 -85.2932 39.7464 88.8656 GPRESSURE: 2661000 200.96 3.18187 -27.0168 -55.6046 366.762 8.99558 -121.418 -27.0969 102.351 PRESSAVG: 2661000 -0.834638 102.623 -21.765 102.623 6.52079 -23.8996 -21.765 -23.8997 24.2698 GPRESSAVG: 2661000 0.232653 102.67 -21.1793 103.25 5.66635 -24.4309 -21.7603 -23.0181 23.1275 TIMING: 2661000 CPU: 7711.2, 0.00290864/step Wall: 7711.2, 0.00290864/step, 1.88981 hours remaining, 208.144531 MB of memory in use. ENERGY: 2661000 703.3710 2122.2328 1972.7216 104.8818 -205748.2665 17813.8396 0.0000 0.0000 34181.3312 -148849.8885 298.5141 -183031.2197 -148756.4563 299.8501 196.3201 223.3579 558362.7596 9.9853 9.6755 PRESSURE: 2661200 195.654 -168.389 58.1539 -168.389 -46.267 -11.7369 58.1527 -11.7359 -73.5315 GPRESSURE: 2661200 135.636 -224.046 27.0381 -137.275 41.8013 -26.242 72.3818 33.0593 -10.7843 PRESSAVG: 2661200 15.6419 31.7151 32.1008 31.7152 58.3376 -32.4798 32.1008 -32.4799 -80.5675 GPRESSAVG: 2661200 13.6337 33.4057 31.5019 29.1607 58.769 -32.3769 32.474 -32.2998 -78.71 TIMING: 2661200 CPU: 7711.78, 0.00290787/step Wall: 7711.78, 0.00290787/step, 1.88914 hours remaining, 208.144531 MB of memory in use. ENERGY: 2661200 709.2435 2074.5301 1964.7069 122.8697 -205689.2266 17732.2092 0.0000 0.0000 34379.5489 -148706.1183 300.2452 -183085.6672 -148611.5847 299.4844 25.2852 55.5511 559004.8472 -2.1960 -2.1024 PRESSURE: 2661400 -111.142 45.7227 -57.3707 45.723 -122.696 80.8239 -57.3707 80.8245 -19.191 GPRESSURE: 2661400 -34.8479 40.4587 15.4308 -13.7346 -117.86 71.4567 -73.7215 105.026 -1.91824 PRESSAVG: 2661400 2.28234 23.2041 18.0837 23.2042 -21.3991 -26.286 18.0837 -26.2861 -8.60247 GPRESSAVG: 2661400 3.85783 21.9472 18.483 23.8252 -21.7045 -27.6591 19.9852 -27.2196 -9.5898 TIMING: 2661400 CPU: 7712.36, 0.00291178/step Wall: 7712.36, 0.00291178/step, 1.89153 hours remaining, 208.144531 MB of memory in use. ENERGY: 2661400 780.9437 2092.1343 1963.0797 112.4235 -205878.2245 17831.0867 0.0000 0.0000 34356.6592 -148741.8975 300.0453 -183098.5567 -148644.5529 300.6785 -84.3429 -51.5421 559467.2374 -9.2397 -9.1455 PRESSURE: 2661600 -123.494 33.9049 247.934 33.903 -253.614 -11.0464 247.934 -11.0466 -25.8115 GPRESSURE: 2661600 -108.508 122.754 206.482 -59.9606 -185.783 4.16812 144.394 36.0622 -10.7709 PRESSAVG: 2661600 -32.3541 -2.94967 53.5816 -2.94971 -37.6217 -60.371 53.5817 -60.3708 46.8052 GPRESSAVG: 2661600 -31.1615 -2.64427 54.8609 -2.56248 -37.9718 -59.2107 51.2326 -58.4217 45.8263 TIMING: 2661600 CPU: 7712.94, 0.00290255/step Wall: 7712.94, 0.00290255/step, 1.88537 hours remaining, 208.144531 MB of memory in use. ENERGY: 2661600 757.6197 2116.8545 1963.4151 112.2728 -205796.7749 17704.7657 0.0000 0.0000 34496.4802 -148645.3668 301.2663 -183141.8470 -148553.8922 300.8961 -134.3063 -101.6872 560101.7708 -7.7235 -7.7690 PRESSURE: 2661800 400.387 -110.93 20.1851 -110.929 -298.735 -123.673 20.1859 -123.673 -158.961 GPRESSURE: 2661800 484.129 -148.409 54.6863 -87.2055 -283.275 -74.0584 27.998 -142.081 -150.933 PRESSAVG: 2661800 49.1762 -30.8049 5.84191 -30.8048 -41.2595 65.787 5.84196 65.7871 -11.0105 GPRESSAVG: 2661800 49.8811 -29.5466 6.24522 -29.9917 -41.3466 65.6107 6.42178 66.0805 -11.066 TIMING: 2661800 CPU: 7713.53, 0.00292033/step Wall: 7713.53, 0.00292032/step, 1.89675 hours remaining, 208.144531 MB of memory in use. ENERGY: 2661800 747.3927 2098.2960 1959.2705 108.7562 -206107.3390 18024.8192 0.0000 0.0000 34304.5406 -148864.2638 299.5901 -183168.8044 -148770.5553 300.4830 -19.1028 16.6407 560539.2848 -1.0312 -0.8438 PRESSURE: 2662000 9.28102 -134.07 108.957 -134.069 -350.201 67.776 108.957 67.7763 -434.014 GPRESSURE: 2662000 11.6284 -120.234 9.1554 -117.913 -334.476 108.67 127.959 6.72643 -357.755 PRESSAVG: 2662000 -13.6784 -65.2299 -11.9774 -65.2299 -111.259 33.434 -11.9774 33.4339 106.5 GPRESSAVG: 2662000 -15.4941 -65.1046 -12.421 -66.8273 -111.487 33.0166 -12.4808 30.9229 108.393 TIMING: 2662000 CPU: 7714.11, 0.00290876/step Wall: 7714.11, 0.00290876/step, 1.88907 hours remaining, 208.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2662000 755.0958 2117.0175 1956.4797 113.5618 -205828.7550 17566.4634 0.0000 0.0000 34302.0700 -149018.0669 299.5685 -183320.1368 -148922.3088 300.0447 -258.3113 -226.8676 559626.6266 -6.1458 -6.1960 PRESSURE: 2662200 -153.029 -149.235 -47.8779 -149.234 -115.325 19.4167 -47.8782 19.4176 126.867 GPRESSURE: 2662200 -47.7764 -130.413 -150.723 -219.504 -59.3294 -16.6066 70.5185 60.9817 64.4716 PRESSAVG: 2662200 11.4161 7.68221 46.5703 7.6822 -67.5636 -9.19272 46.5703 -9.19265 44.0008 GPRESSAVG: 2662200 12.841 5.23519 45.5413 9.25714 -67.5276 -6.53054 48.0017 -9.91456 41.9192 TIMING: 2662200 CPU: 7714.69, 0.00290914/step Wall: 7714.69, 0.00290914/step, 1.88916 hours remaining, 208.144531 MB of memory in use. ENERGY: 2662200 777.2944 2076.1638 1939.5382 120.4458 -206384.4880 17944.3879 0.0000 0.0000 34419.4648 -149107.1930 300.5937 -183526.6578 -149020.3739 299.4046 -47.1619 -14.2114 558821.2147 -4.0489 -4.2558 PRESSURE: 2662400 230.675 -15.3843 -18.7648 -15.3844 298.481 -46.8102 -18.7646 -46.8108 -29.8871 GPRESSURE: 2662400 254.369 -47.9029 46.5375 18.3094 297.244 -34.1388 -90.0432 36.3121 48.3488 PRESSAVG: 2662400 -10.6513 -50.0684 0.181444 -50.0683 -2.16612 -5.60238 0.181459 -5.60242 14.0212 GPRESSAVG: 2662400 -11.7707 -48.4338 2.05944 -50.7788 -2.38759 -6.56022 -0.252399 -5.35371 15.2491 TIMING: 2662400 CPU: 7715.27, 0.002884/step Wall: 7715.27, 0.002884/step, 1.87268 hours remaining, 208.144531 MB of memory in use. ENERGY: 2662400 732.5392 2058.9932 1930.9646 117.2314 -206526.0307 18037.3282 0.0000 0.0000 34388.6734 -149260.3007 300.3248 -183648.9741 -149165.8735 299.8871 166.4233 199.9872 556271.3863 0.4012 0.3636 PRESSURE: 2662600 -115.607 -11.058 29.3503 -11.0567 -219.834 11.1956 29.3518 11.1957 34.2825 GPRESSURE: 2662600 -136.17 -35.5273 38.3686 71.4128 -153.088 -66.8753 15.8422 19.5518 83.4202 PRESSAVG: 2662600 4.86888 0.0472519 -28.2152 0.047216 22.2267 21.6595 -28.2152 21.6594 -32.175 GPRESSAVG: 2662600 4.94077 -1.24419 -29.7574 1.31638 21.0419 21.7768 -27.9296 21.7259 -31.3428 TIMING: 2662600 CPU: 7715.85, 0.00289484/step Wall: 7715.85, 0.00289484/step, 1.87956 hours remaining, 208.144531 MB of memory in use. ENERGY: 2662600 705.6497 2084.4051 1969.1453 126.8649 -206232.1963 17711.2066 0.0000 0.0000 34292.2503 -149342.6745 299.4828 -183634.9248 -149249.1897 299.0974 -100.3863 -68.6127 559024.0382 -1.6931 -1.7867 PRESSURE: 2662800 83.9385 159.312 -143.62 159.313 -204.052 -203.492 -143.62 -203.49 69.4331 GPRESSURE: 2662800 118.634 155.62 -47.3158 193.609 -198.075 -123.321 -82.1888 -238.512 127.575 PRESSAVG: 2662800 -45.934 93.5405 -32.6306 93.5405 12.2669 -6.68566 -32.6306 -6.68562 7.65023 GPRESSAVG: 2662800 -45.8191 92.3425 -32.2606 92.8513 12.2469 -7.71954 -32.7074 -4.54713 7.01719 TIMING: 2662800 CPU: 7716.43, 0.00290451/step Wall: 7716.43, 0.00290451/step, 1.88567 hours remaining, 208.144531 MB of memory in use. ENERGY: 2662800 739.6707 2123.3273 1942.9929 119.2184 -206482.3351 17843.4423 0.0000 0.0000 34458.4916 -149255.1919 300.9346 -183713.6835 -149162.7979 299.0878 -16.8935 16.0448 557381.7802 -8.6723 -8.8517 PRESSURE: 2663000 108.503 -1.04298 -69.4259 -1.04386 -23.0521 35.6441 -69.4264 35.6442 -127.498 GPRESSURE: 2663000 97.8844 8.76544 -36.2409 -7.11972 -6.62081 -60.3651 -50.437 106.725 -46.9775 PRESSAVG: 2663000 -1.79578 -10.4723 -16.9965 -10.4722 -27.7669 -14.4579 -16.9964 -14.4579 16.2598 GPRESSAVG: 2663000 -2.24079 -7.86707 -16.671 -11.9475 -27.2266 -15.6225 -18.7574 -14.7724 16.3919 TIMING: 2663000 CPU: 7717.01, 0.00291236/step Wall: 7717.01, 0.00291236/step, 1.89061 hours remaining, 208.144531 MB of memory in use. ENERGY: 2663000 781.6624 2106.0217 1959.2278 110.9288 -206221.7034 17883.7640 0.0000 0.0000 34278.6974 -149101.4012 299.3644 -183380.0986 -149004.6639 299.7014 -14.0156 14.7620 557603.2713 -4.4343 -4.3585 PRESSURE: 2663200 -79.9208 73.7224 -10.5412 73.7227 65.3814 72.5072 -10.5417 72.5071 72.3813 GPRESSURE: 2663200 27.2821 41.296 -7.65625 43.5708 82.7815 -38.0041 -28.937 113.562 45.01 PRESSAVG: 2663200 49.0036 18.2283 -0.944801 18.2282 18.5708 20.5503 -0.944742 20.5504 -67.6975 GPRESSAVG: 2663200 48.4098 16.9997 0.377747 19.2154 18.8311 21.7862 -0.0961588 18.6286 -67.0861 TIMING: 2663200 CPU: 7717.59, 0.00288743/step Wall: 7717.59, 0.00288743/step, 1.87426 hours remaining, 208.199219 MB of memory in use. ENERGY: 2663200 780.5885 2088.5739 1934.1707 125.0381 -206075.0397 17973.1797 0.0000 0.0000 34290.0090 -148883.4797 299.4632 -183173.4887 -148785.1143 300.0533 19.2806 51.6912 559906.9650 -0.0410 0.0516 PRESSURE: 2663400 -28.7298 106.883 -96.8076 106.883 10.6921 80.9951 -96.8077 80.9954 126.71 GPRESSURE: 2663400 29.0849 120.036 -138.378 116.485 70.9759 47.9598 -24.0294 53.3688 99.5756 PRESSAVG: 2663400 -19.5115 26.0163 19.5855 26.0162 43.8147 13.9676 19.5854 13.9676 -27.5667 GPRESSAVG: 2663400 -18.3606 27.0897 19.9431 25.9112 42.9911 14.053 20.0197 16.661 -28.29 TIMING: 2663400 CPU: 7718.17, 0.00289911/step Wall: 7718.17, 0.00289911/step, 1.88169 hours remaining, 208.199219 MB of memory in use. ENERGY: 2663400 790.5798 2158.1715 1944.4828 117.0725 -206076.3652 18030.2854 0.0000 0.0000 34216.8737 -148818.8994 298.8245 -183035.7731 -148723.9903 300.9835 36.2241 66.5454 558625.7891 -1.0878 -1.2198 PRESSURE: 2663600 229.703 18.5114 101.496 18.5114 228.874 64.8409 101.495 64.8411 -143.13 GPRESSURE: 2663600 270.556 5.99907 129.846 50.1062 244.1 -124.637 93.6006 69.4193 -105.975 PRESSAVG: 2663600 39.2354 19.5126 37.5274 19.5126 86.8327 42.3346 37.5275 42.3346 -101.152 GPRESSAVG: 2663600 38.7 18.1525 35.0944 19.3909 88.2791 40.7496 38.7566 40.2582 -102.19 TIMING: 2663600 CPU: 7718.75, 0.00290374/step Wall: 7718.75, 0.00290374/step, 1.88453 hours remaining, 208.199219 MB of memory in use. ENERGY: 2663600 714.4061 2106.2228 1935.3711 106.0251 -206125.2338 17916.2505 0.0000 0.0000 34440.1129 -148906.8453 300.7741 -183346.9582 -148808.8799 299.7058 105.1490 136.2267 558139.1328 8.3055 8.2630 PRESSURE: 2663800 -150.608 173.813 21.9235 173.813 85.1773 -90.223 21.9234 -90.2219 -144.255 GPRESSURE: 2663800 -105.556 200.977 111.119 189.087 79.6215 36.2264 1.10305 -130.11 -77.9145 PRESSAVG: 2663800 -33.1557 56.6657 -52.1195 56.6658 82.3131 1.54546 -52.1195 1.54555 -40.5257 GPRESSAVG: 2663800 -31.8006 55.9379 -50.2508 56.9343 79.9438 0.860835 -54.8411 3.46105 -39.1943 TIMING: 2663800 CPU: 7719.33, 0.00290079/step Wall: 7719.33, 0.00290079/step, 1.88245 hours remaining, 208.199219 MB of memory in use. ENERGY: 2663800 742.6997 2051.8112 1944.3202 114.1037 -206115.6939 17823.1760 0.0000 0.0000 34371.7550 -149067.8282 300.1771 -183439.5832 -148967.3839 300.0342 -69.8953 -34.6163 558218.9051 2.8773 2.9830 PRESSURE: 2664000 -266.045 -24.4776 11.9109 -24.477 -30.4189 182.253 11.9114 182.251 -95.2277 GPRESSURE: 2664000 -276.626 32.0786 -78.2465 -17.541 72.0774 207.37 50.3075 35.2923 -83.8113 PRESSAVG: 2664000 -48.4164 -10.2354 -5.89482 -10.2353 46.7543 16.2064 -5.89491 16.2064 -35.4835 GPRESSAVG: 2664000 -50.4517 -8.13747 -5.49404 -10.1127 49.5809 19.6157 -6.37931 13.6985 -36.0581 TIMING: 2664000 CPU: 7719.91, 0.00291258/step Wall: 7719.91, 0.00291257/step, 1.88994 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2664000 737.4311 2070.1207 1938.7033 121.4536 -206075.4275 17681.7216 0.0000 0.0000 34278.0966 -149247.9006 299.3591 -183525.9972 -149148.2237 299.4186 -130.5638 -96.1201 558648.1563 -12.3819 -12.3096 PRESSURE: 2664200 28.0086 111.694 38.2525 111.694 71.1139 145.551 38.2518 145.549 -366.6 GPRESSURE: 2664200 105.383 68.1129 -13.0483 102.622 15.2631 166.553 99.3736 186.825 -296.566 PRESSAVG: 2664200 -24.9012 49.6583 -3.54783 49.6583 15.844 25.5699 -3.5479 25.5699 15.6288 GPRESSAVG: 2664200 -23.9882 47.6374 -6.07819 49.7024 14.6442 24.7428 -2.1843 26.545 15.6308 TIMING: 2664200 CPU: 7720.5, 0.00292851/step Wall: 7720.5, 0.00292851/step, 1.90011 hours remaining, 208.199219 MB of memory in use. ENERGY: 2664200 775.3928 2100.9772 1930.8220 110.8801 -206239.2432 17759.7278 0.0000 0.0000 34089.5505 -149471.8928 297.7125 -183561.4433 -149382.5121 299.5205 -89.1592 -58.6397 559017.9056 2.1905 2.0956 LDB: ============= START OF LOAD BALANCING ============== 7723.88 LDB: ============== END OF LOAD BALANCING =============== 7723.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7723.88 LDB: ============= START OF LOAD BALANCING ============== 7724.17 LDB: Largest compute 4800 load 0.025868 is 21.9% of average load 0.117918 LDB: Average compute 0.001743 is 1.5% of average load 0.117918 LDB: TIME 7724.18 LOAD: AVG 0.117918 MAX 0.178543 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.602 MB LDB: TIME 7724.18 LOAD: AVG 0.117918 MAX 0.178543 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.805 MB LDB: TIME 7724.18 LOAD: AVG 0.117918 MAX 0.178543 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.805 MB LDB: ============== END OF LOAD BALANCING =============== 7724.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7724.18 PRESSURE: 2664400 224.18 -54.7639 175.301 -54.7641 95.5855 207.809 175.301 207.81 211.607 GPRESSURE: 2664400 275.313 -63.0844 111.13 -30.1695 154.656 178.678 107.628 210.285 196.96 PRESSAVG: 2664400 0.0863288 -18.3009 50.3042 -18.3009 -47.8073 23.8798 50.3042 23.8797 76.5661 GPRESSAVG: 2664400 -0.0700125 -18.1357 50.6313 -18.8752 -47.3209 25.4123 50.3421 23.4501 76.1575 TIMING: 2664400 CPU: 7721.09, 0.00296176/step Wall: 7721.09, 0.00296176/step, 1.92153 hours remaining, 209.250000 MB of memory in use. ENERGY: 2664400 735.6402 2134.2094 1941.9573 114.1076 -206865.9525 18315.2175 0.0000 0.0000 34093.8576 -149530.9629 297.7501 -183624.8205 -149438.8461 299.1315 177.1241 208.9765 557057.1985 9.6150 9.5889 PRESSURE: 2664600 -78.5779 -12.9876 98.2682 -12.9883 -234.037 -119.267 98.2673 -119.268 -229.825 GPRESSURE: 2664600 -30.5387 -48.2231 170.896 -24.774 -239.834 -218.933 105.501 -46.7291 -182.442 PRESSAVG: 2664600 -27.3529 -65.9949 18.2169 -65.9948 -34.0495 3.90816 18.2169 3.9082 53.1198 GPRESSAVG: 2664600 -25.2541 -64.4194 19.2476 -65.5836 -37.2651 0.794909 19.8204 3.63785 55.0255 TIMING: 2664600 CPU: 7721.67, 0.00288773/step Wall: 7721.67, 0.00288773/step, 1.87334 hours remaining, 209.250000 MB of memory in use. ENERGY: 2664600 748.3524 2092.9157 1941.2489 101.9994 -206182.4500 17528.5876 0.0000 0.0000 34235.9716 -149533.3744 298.9913 -183769.3460 -149445.4888 298.5986 -180.8134 -150.9382 557572.3065 -2.7609 -2.4979 PRESSURE: 2664800 -14.8276 -1.65336 -23.6731 -1.65211 148.249 -24.2263 -23.6735 -24.2269 -11.5584 GPRESSURE: 2664800 78.814 -12.1515 -51.5011 -20.5528 142.147 142.181 15.8011 -79.8313 -3.41472 PRESSAVG: 2664800 86.3111 -27.8758 2.69119 -27.8758 7.05947 -9.2202 2.69109 -9.22008 -45.2009 GPRESSAVG: 2664800 85.5885 -28.9456 2.09115 -27.1719 9.31767 -7.26548 2.54428 -9.40888 -46.562 TIMING: 2664800 CPU: 7722.25, 0.00291081/step Wall: 7722.25, 0.00291081/step, 1.88814 hours remaining, 209.250000 MB of memory in use. ENERGY: 2664800 747.2054 2095.8589 1956.4631 113.6125 -206467.4409 17908.2419 0.0000 0.0000 34171.0392 -149475.0198 298.4242 -183646.0590 -149385.6207 298.9867 40.6211 72.5155 556343.3136 16.0565 16.1147 PRESSURE: 2665000 -8.70388 8.72826 -80.7045 8.72907 -64.4985 -34.9724 -80.7034 -34.9718 73.8663 GPRESSURE: 2665000 31.7213 -30.136 1.59455 74.391 -81.4602 37.0319 -103.283 -11.551 140.782 PRESSAVG: 2665000 55.5173 -66.6626 -8.35567 -66.6626 -58.3148 30.4477 -8.35565 30.4477 -3.16088 GPRESSAVG: 2665000 55.5264 -67.0477 -8.13665 -68.0982 -58.9124 30.5871 -10.3007 31.0961 -2.69006 TIMING: 2665000 CPU: 7722.83, 0.0029008/step Wall: 7722.83, 0.0029008/step, 1.88149 hours remaining, 209.250000 MB of memory in use. ENERGY: 2665000 751.9624 2055.9503 1965.5759 114.7357 -206500.0851 17963.8717 0.0000 0.0000 34036.8775 -149611.1116 297.2525 -183647.9891 -149513.4983 298.8058 0.2213 30.3476 556555.3857 -1.9861 -2.0254 PRESSURE: 2665200 -114.62 -172.992 3.98669 -172.991 101.16 -82.2185 3.98679 -82.2187 83.2024 GPRESSURE: 2665200 -82.4433 -254.366 -26.3294 -166.687 119.067 -102.92 -39.8427 -45.3811 130.568 PRESSAVG: 2665200 16.3099 -40.0345 -18.6194 -40.0345 -22.9005 -5.95417 -18.6193 -5.9542 2.54494 GPRESSAVG: 2665200 15.4642 -40.4376 -18.9545 -40.4459 -21.712 -4.05022 -18.0213 -7.63689 2.31922 TIMING: 2665200 CPU: 7723.41, 0.00291384/step Wall: 7723.41, 0.00291384/step, 1.88979 hours remaining, 209.250000 MB of memory in use. ENERGY: 2665200 716.1204 2076.8196 1944.8202 99.3735 -206490.3446 17892.3174 0.0000 0.0000 34281.8177 -149479.0759 299.3916 -183760.8936 -149384.7447 298.3311 23.2477 55.7308 557017.1201 -1.3485 -1.3095 PRESSURE: 2665400 -338.13 7.63782 30.2298 7.63704 -197.672 -59.2817 30.2289 -59.2822 -116.68 GPRESSURE: 2665400 -290.032 -16.6562 125.574 18.9292 -168.24 31.758 -49.8982 -147.716 -90.5215 PRESSAVG: 2665400 -26.7597 -19.7109 8.0205 -19.7109 -17.5044 -39.4741 8.02048 -39.4741 29.5509 GPRESSAVG: 2665400 -26.909 -18.9016 10.5513 -16.1079 -17.7771 -41.7999 5.08006 -38.2575 29.9954 TIMING: 2665400 CPU: 7723.99, 0.00289421/step Wall: 7723.99, 0.00289421/step, 1.87689 hours remaining, 209.250000 MB of memory in use. ENERGY: 2665400 774.7746 2063.1267 1939.2410 113.3835 -206489.6105 17607.0172 0.0000 0.0000 34392.1413 -149599.9262 300.3551 -183992.0675 -149504.9688 297.9382 -217.4936 -182.9311 557418.3919 -4.9044 -4.8969 PRESSURE: 2665600 221.333 -76.8105 -63.9001 -76.8098 -17.6052 198.252 -63.9003 198.252 34.969 GPRESSURE: 2665600 288.487 -5.84889 1.91935 -156.211 33.0748 133.544 -93.9862 198.206 25.8871 PRESSAVG: 2665600 -9.2531 6.10233 -9.87828 6.10232 -2.07129 -19.4613 -9.87836 -19.4613 42.3905 GPRESSAVG: 2665600 -9.25267 6.21091 -12.1387 4.31327 -1.66336 -18.8235 -7.50168 -19.9142 41.7922 TIMING: 2665600 CPU: 7724.57, 0.00290531/step Wall: 7724.57, 0.00290531/step, 1.88393 hours remaining, 209.250000 MB of memory in use. ENERGY: 2665600 728.7001 2104.9835 1963.2513 114.6140 -206068.8529 17733.4574 0.0000 0.0000 34053.6478 -149370.1988 297.3990 -183423.8465 -149275.4091 297.9986 79.5655 115.8163 555722.5593 10.3554 10.2920 PRESSURE: 2665800 41.4948 -12.9786 62.8823 -12.9789 39.2665 85.3326 62.884 85.3329 137.314 GPRESSURE: 2665800 122.224 2.39911 28.654 16.9596 30.2535 48.2564 119.193 47.7509 158.528 PRESSAVG: 2665800 12.7664 13.4312 43.8249 13.4311 -30.7484 23.6035 43.825 23.6036 31.9706 GPRESSAVG: 2665800 12.3865 14.9496 45.1878 12.9291 -31.5093 23.2247 42.9605 22.7223 32.7696 TIMING: 2665800 CPU: 7725.16, 0.00292487/step Wall: 7725.16, 0.00292487/step, 1.89645 hours remaining, 209.250000 MB of memory in use. ENERGY: 2665800 725.8204 2069.4153 1966.6004 121.0784 -206219.2025 17816.5838 0.0000 0.0000 34266.3339 -149253.3703 299.2564 -183519.7042 -149157.3939 298.8979 72.6917 103.6683 557572.4537 4.6629 4.5489 PRESSURE: 2666000 -125.328 -4.84808 -173.086 -4.84832 -39.1283 -64.5622 -173.087 -64.5624 -170.51 GPRESSURE: 2666000 -114.782 53.2976 -128.7 -13.724 35.2557 -120.719 -179.872 -27.7308 -172.913 PRESSAVG: 2666000 -47.0558 23.5796 2.02731 23.5796 -32.6008 -4.13311 2.02724 -4.13317 26.6074 GPRESSAVG: 2666000 -47.1909 23.7915 3.23471 23.9234 -32.1752 -4.90208 3.11975 -4.15412 25.9331 TIMING: 2666000 CPU: 7725.74, 0.00294569/step Wall: 7725.74, 0.00294569/step, 1.90979 hours remaining, 209.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2666000 731.3509 2110.9908 1950.9540 122.3850 -206270.0159 17592.6810 0.0000 0.0000 34301.0196 -149460.6346 299.5593 -183761.6543 -149366.5348 299.4562 -111.6554 -84.1466 557680.3970 -17.6831 -17.8110 PRESSURE: 2666200 -94.922 -38.7994 108.354 -38.8002 29.27 -118.322 108.353 -118.321 48.0604 GPRESSURE: 2666200 -39.6799 3.11875 124.892 41.426 8.15997 -150.655 43.5072 -105.679 117.985 PRESSAVG: 2666200 -23.559 -38.0759 -28.661 -38.0759 62.6158 -50.6879 -28.661 -50.6877 12.1176 GPRESSAVG: 2666200 -23.096 -39.7 -32.4638 -37.4567 61.6567 -50.9286 -26.9529 -46.9957 12.4922 TIMING: 2666200 CPU: 7726.33, 0.0029083/step Wall: 7726.33, 0.0029083/step, 1.88539 hours remaining, 209.250000 MB of memory in use. ENERGY: 2666200 727.8235 2098.0293 1956.9116 102.9105 -206668.0219 17967.3159 0.0000 0.0000 34376.5419 -149438.4893 300.2189 -183815.0312 -149344.3169 298.9320 -5.8639 28.8217 556785.0299 17.0581 17.0176 PRESSURE: 2666400 74.0563 129.624 47.7488 129.624 92.1727 100.214 47.7486 100.212 -72.3358 GPRESSURE: 2666400 108.188 120.266 97.869 76.9557 111.267 13.663 25.2164 110.379 -23.1921 PRESSAVG: 2666400 -62.0818 9.74072 9.94921 9.7408 22.0496 -4.32782 9.94928 -4.32791 14.4726 GPRESSAVG: 2666400 -62.8929 10.903 11.2098 7.41701 22.0704 -3.26585 8.39788 -6.21859 14.7693 TIMING: 2666400 CPU: 7726.91, 0.00290055/step Wall: 7726.91, 0.00290055/step, 1.8802 hours remaining, 209.250000 MB of memory in use. ENERGY: 2666400 769.4671 2065.2160 1932.9381 105.8497 -206504.5842 17906.9341 0.0000 0.0000 34330.2208 -149393.9584 299.8144 -183724.1792 -149305.1970 299.2979 31.2977 65.4208 557367.7901 -8.5199 -8.6844 PRESSURE: 2666600 -25.068 -101.049 -1.50994 -101.048 -117.404 -79.2796 -1.50984 -79.2816 32.886 GPRESSURE: 2666600 3.37223 -130.217 12.8971 9.5054 -59.9776 -15.4577 -19.0798 -30.582 43.8001 PRESSAVG: 2666600 6.63212 -14.4482 -5.64839 -14.4481 -32.2446 -17.1402 -5.64838 -17.1404 34.1136 GPRESSAVG: 2666600 7.05196 -15.6874 -5.97164 -12.6667 -31.6213 -16.9942 -3.01926 -17.6603 33.4528 TIMING: 2666600 CPU: 7727.49, 0.00290124/step Wall: 7727.49, 0.00290124/step, 1.88049 hours remaining, 209.250000 MB of memory in use. ENERGY: 2666600 746.2940 2096.1176 1923.7245 103.7205 -206124.2623 17810.9495 0.0000 0.0000 34161.5882 -149281.8679 298.3416 -183443.4562 -149186.8865 298.8458 -36.5287 -4.2684 556843.8873 2.8337 2.9612 PRESSURE: 2666800 181.955 -61.9923 55.4383 -61.9926 -70.5653 111.252 55.4387 111.252 442.339 GPRESSURE: 2666800 225.47 -54.7489 33.6931 -91.9744 -15.7304 60.539 40.3325 166.047 437.24 PRESSAVG: 2666800 -14.0905 -9.82383 -12.9443 -9.82385 10.7285 -5.39976 -12.9442 -5.39993 30.0627 GPRESSAVG: 2666800 -14.2923 -11.2558 -13.7827 -9.21586 11.4861 -6.07673 -15.4101 -4.64739 29.1864 TIMING: 2666800 CPU: 7728.06, 0.00289157/step Wall: 7728.06, 0.00289157/step, 1.87406 hours remaining, 209.250000 MB of memory in use. ENERGY: 2666800 724.2829 2080.8778 1946.6705 107.1237 -206267.9979 17931.6117 0.0000 0.0000 34221.0740 -149256.3572 298.8612 -183477.4313 -149154.0390 298.9884 184.5763 215.6600 556142.2510 8.9002 8.7934 PRESSURE: 2667000 -84.2468 -17.806 -45.5731 -17.8075 -70.2102 55.5101 -45.5737 55.5113 5.40665 GPRESSURE: 2667000 -21.5467 -7.42556 18.2788 0.0470733 -61.1138 53.7572 -33.8448 112.611 34.1648 PRESSAVG: 2667000 -35.1385 -1.31946 -2.0802 -1.31944 33.0086 26.1062 -2.08017 26.1062 24.4983 GPRESSAVG: 2667000 -35.6278 -0.120649 -0.00322746 -0.69847 32.7651 25.9237 -4.28163 25.63 25.1925 TIMING: 2667000 CPU: 7728.64, 0.00286291/step Wall: 7728.64, 0.00286291/step, 1.85532 hours remaining, 209.250000 MB of memory in use. ENERGY: 2667000 778.5292 2098.3889 1933.1567 115.8952 -206178.6611 17844.0978 0.0000 0.0000 34034.9804 -149373.6129 297.2359 -183408.5933 -149281.2936 299.1554 -49.6834 -16.1652 556573.9275 7.4561 7.4433 PRESSURE: 2667200 -200.114 112.026 -64.9168 112.026 -264.441 -121.461 -64.9179 -121.463 -26.6309 GPRESSURE: 2667200 -159.006 74.1623 -85.744 46.1135 -246.041 -33.0089 10.0958 -82.0941 7.12162 PRESSAVG: 2667200 73.569 80.7366 45.4683 80.7366 -13.6315 -35.3636 45.4682 -35.3637 -47.2293 GPRESSAVG: 2667200 74.1375 81.4461 45.5785 78.6696 -13.9252 -33.8525 47.8386 -35.8153 -47.8143 TIMING: 2667200 CPU: 7729.22, 0.00289576/step Wall: 7729.22, 0.00289576/step, 1.87645 hours remaining, 209.250000 MB of memory in use. ENERGY: 2667200 755.9480 2061.3858 1927.5572 115.4343 -206046.4416 17568.9082 0.0000 0.0000 34299.1265 -149318.0815 299.5428 -183617.2080 -149221.5655 298.9158 -163.7286 -132.6416 555512.2335 4.2360 4.1327 PRESSURE: 2667400 -155.455 21.1518 -9.71999 21.1515 2.28294 109.555 -9.7187 109.556 -193.915 GPRESSURE: 2667400 -71.0549 -19.1352 20.2842 41.845 36.2875 123.62 11.0746 83.6002 -207.096 PRESSAVG: 2667400 0.201038 -35.9696 -12.1902 -35.9697 20.1908 0.145522 -12.1903 0.145609 19.6856 GPRESSAVG: 2667400 -0.591077 -37.1313 -12.4078 -36.0073 20.1076 -1.58065 -13.2542 2.04919 19.9665 TIMING: 2667400 CPU: 7729.8, 0.002918/step Wall: 7729.8, 0.002918/step, 1.8907 hours remaining, 209.250000 MB of memory in use. ENERGY: 2667400 769.2794 2108.5256 1946.4553 114.7850 -205883.2981 17563.3119 0.0000 0.0000 34096.7370 -149284.2039 297.7753 -183380.9409 -149186.1115 299.2027 -115.6955 -80.6212 556656.7618 13.3591 13.1610 PRESSURE: 2667600 -16.6249 57.8815 87.7897 57.8823 -147.914 -40.1986 87.7896 -40.1982 -4.8673 GPRESSURE: 2667600 -45.8509 -2.32191 110.006 45.2797 -76.5614 -43.9082 25.7007 -50.0085 51.2568 PRESSAVG: 2667600 32.6753 75.7528 6.97996 75.7528 12.8427 -0.409782 6.98002 -0.409854 -26.9774 GPRESSAVG: 2667600 31.6845 76.1357 7.71611 76.4662 13.7087 0.750037 8.25692 -1.24374 -26.3545 TIMING: 2667600 CPU: 7730.38, 0.00292339/step Wall: 7730.38, 0.00292339/step, 1.89403 hours remaining, 209.250000 MB of memory in use. ENERGY: 2667600 766.2773 2084.3749 1934.5401 122.0794 -206072.4587 17674.1145 0.0000 0.0000 34183.4215 -149307.6509 298.5323 -183491.0725 -149210.0371 298.7428 -56.4689 -23.7185 557381.6202 6.1802 6.3462 PRESSURE: 2667800 -68.6672 -22.1391 62.1427 -22.1383 -49.6316 21.0473 62.143 21.0467 -83.3826 GPRESSURE: 2667800 -50.9048 -47.546 9.77625 -0.0618974 -64.3628 54.7226 133.255 -28.2388 19.5901 PRESSAVG: 2667800 -15.5085 4.89899 -48.8533 4.899 -37.6968 -16.2473 -48.8533 -16.2473 37.8218 GPRESSAVG: 2667800 -13.5737 6.68024 -49.0137 2.09171 -39.5821 -19.2107 -48.4866 -13.3736 37.7373 TIMING: 2667800 CPU: 7730.97, 0.00290658/step Wall: 7730.97, 0.00290658/step, 1.88298 hours remaining, 209.250000 MB of memory in use. ENERGY: 2667800 743.3748 2056.5905 1956.2857 100.8719 -206122.8521 17746.8182 0.0000 0.0000 34265.6987 -149253.2123 299.2509 -183518.9109 -149151.9881 299.4062 -67.2271 -31.8925 556752.2600 -5.1278 -5.1395 PRESSURE: 2668000 -102.075 67.788 -141.195 67.7872 63.4886 13.5784 -141.195 13.5793 -189.055 GPRESSURE: 2668000 -77.5842 76.4218 -129.994 1.58243 94.2099 -7.99211 -135.289 42.0246 -149.734 PRESSAVG: 2668000 10.4668 29.8061 5.12046 29.8061 7.30312 -26.0771 5.12045 -26.077 -6.51014 GPRESSAVG: 2668000 9.79022 28.6624 5.58739 31.8016 8.57417 -25.6725 3.14236 -26.5681 -7.0152 TIMING: 2668000 CPU: 7731.55, 0.00290124/step Wall: 7731.55, 0.00290124/step, 1.87936 hours remaining, 209.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2668000 758.7486 2085.6331 1955.3646 120.1272 -206057.4707 17669.0995 0.0000 0.0000 34270.9267 -149197.5710 299.2965 -183468.4978 -149099.8344 299.6228 -75.8804 -44.3695 556508.0503 3.7533 3.7831 PRESSURE: 2668200 -43.737 170.795 63.1261 170.796 -105.723 -48.7745 63.1272 -48.7753 -90.6522 GPRESSURE: 2668200 -18.8841 206.993 76.5006 165.253 -30.5235 -127.239 79.6356 -37.3143 -89.6738 PRESSAVG: 2668200 -29.3447 36.3802 -22.5806 36.3802 16.0424 -84.2235 -22.5805 -84.2235 -21.6665 GPRESSAVG: 2668200 -29.1106 38.1491 -23.9071 34.8765 15.6674 -83.8839 -23.4702 -85.2127 -21.9652 TIMING: 2668200 CPU: 7732.13, 0.00290709/step Wall: 7732.13, 0.00290709/step, 1.88299 hours remaining, 209.250000 MB of memory in use. ENERGY: 2668200 769.9070 2093.8061 1938.3362 108.0400 -205799.8072 17503.4855 0.0000 0.0000 34119.8851 -149266.3474 297.9774 -183386.2324 -149169.6218 299.9433 -80.0375 -46.3605 557004.0238 -11.6563 -11.8028 LDB: ============= START OF LOAD BALANCING ============== 7735.52 LDB: ============== END OF LOAD BALANCING =============== 7735.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7735.52 LDB: ============= START OF LOAD BALANCING ============== 7735.81 LDB: Largest compute 4801 load 0.024621 is 20.9% of average load 0.117924 LDB: Average compute 0.001734 is 1.5% of average load 0.117924 LDB: TIME 7735.81 LOAD: AVG 0.117924 MAX 0.17811 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.027 MB LDB: TIME 7735.81 LOAD: AVG 0.117924 MAX 0.17811 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.027 MB LDB: TIME 7735.81 LOAD: AVG 0.117924 MAX 0.17811 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7735.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7735.82 PRESSURE: 2668400 -209.12 183.228 125.848 183.227 -39.1207 12.3338 125.849 12.3323 -148.794 GPRESSURE: 2668400 -164.13 178.391 177.748 136.477 -43.335 -73.2156 167.028 7.88714 -81.5154 PRESSAVG: 2668400 -10.1816 77.8106 -17.0826 77.8106 80.1004 33.5092 -17.0827 33.509 -44.8758 GPRESSAVG: 2668400 -11.1455 74.7445 -15.0932 78.8155 79.4598 33.8096 -17.4545 36.2904 -43.3884 TIMING: 2668400 CPU: 7732.72, 0.00298523/step Wall: 7732.72, 0.00298523/step, 1.93343 hours remaining, 208.710938 MB of memory in use. ENERGY: 2668400 762.3402 2102.3302 1929.6975 117.4651 -206065.2160 17712.5153 0.0000 0.0000 34212.9541 -149227.9137 298.7902 -183440.8677 -149130.7197 299.3890 -132.3447 -96.3267 557138.6829 8.3477 8.3086 PRESSURE: 2668600 -58.3849 -29.8291 -4.8116 -29.829 -22.9144 -131.483 -4.81124 -131.483 -136.586 GPRESSURE: 2668600 -2.56681 -44.0316 -3.86338 -60.9114 -7.0159 -57.2092 -124.506 -188.196 -120.643 PRESSAVG: 2668600 9.28619 59.4882 -28.2765 59.4882 31.9063 54.5835 -28.2766 54.5835 -28.4235 GPRESSAVG: 2668600 10.2801 58.9903 -29.9802 58.8372 31.8578 54.9364 -27.538 52.0936 -30.2403 TIMING: 2668600 CPU: 7733.31, 0.00291453/step Wall: 7733.31, 0.00291453/step, 1.88748 hours remaining, 208.953125 MB of memory in use. ENERGY: 2668600 757.9161 2137.9501 1921.0572 113.4031 -205999.6348 17633.5735 0.0000 0.0000 34305.0053 -149130.7294 299.5941 -183435.7347 -149031.6979 299.3836 -72.6283 -43.4084 557329.2350 4.2563 3.9659 PRESSURE: 2668800 79.3132 78.5419 55.0293 78.5422 -142.967 -34.1915 55.029 -34.1927 57.5712 GPRESSURE: 2668800 158.383 -11.3875 0.568115 63.9159 -176.268 5.3785 90.2113 13.446 109.073 PRESSAVG: 2668800 -12.2048 73.0073 -9.22385 73.0074 -10.4985 52.6344 -9.22388 52.6343 -8.15514 GPRESSAVG: 2668800 -11.7274 73.9376 -10.4292 75.1728 -11.0055 52.7581 -7.2263 51.9041 -8.11871 TIMING: 2668800 CPU: 7733.89, 0.00290547/step Wall: 7733.89, 0.00290547/step, 1.88146 hours remaining, 208.953125 MB of memory in use. ENERGY: 2668800 736.7965 2109.7237 1957.6486 114.5370 -205919.7081 17614.2324 0.0000 0.0000 34371.7912 -149014.9787 300.1774 -183386.7699 -148913.2813 299.9744 -2.0276 30.3959 556838.7531 -10.2862 -10.2839 PRESSURE: 2669000 -336.685 -17.3663 -165.852 -17.3653 -105.895 210.189 -165.854 210.189 161.386 GPRESSURE: 2669000 -274.248 -12.3346 -153.835 -7.97914 -85.7825 136.349 -224.18 202.454 168.183 PRESSAVG: 2669000 11.9346 -20.5173 -11.6773 -20.5173 -26.2595 -16.9263 -11.6774 -16.9263 61.9373 GPRESSAVG: 2669000 10.2532 -19.2345 -10.7698 -21.1167 -26.2303 -17.1102 -11.7227 -17.1055 63.8819 TIMING: 2669000 CPU: 7734.47, 0.00289928/step Wall: 7734.47, 0.00289928/step, 1.87729 hours remaining, 208.953125 MB of memory in use. ENERGY: 2669000 742.5459 2136.8024 1942.0021 105.3832 -205618.4131 17459.6885 0.0000 0.0000 34272.7192 -148959.2717 299.3122 -183231.9909 -148867.3372 300.6172 -93.7312 -63.9493 557356.7116 15.8708 15.9683 PRESSURE: 2669200 -3.15826 73.9994 148.264 74.0008 122.776 -0.640086 148.264 -0.639883 156.391 GPRESSURE: 2669200 50.9154 30.1304 66.6553 63.7457 125.017 -52.1725 88.4642 11.8735 204.954 PRESSAVG: 2669200 1.41572 -0.921758 42.6483 -0.92182 -39.7744 35.1652 42.6483 35.1653 57.3904 GPRESSAVG: 2669200 2.62535 -0.615077 43.6498 -1.72826 -39.5342 36.4416 41.3476 34.8069 56.2772 TIMING: 2669200 CPU: 7735.05, 0.00288197/step Wall: 7735.05, 0.00288197/step, 1.86592 hours remaining, 208.953125 MB of memory in use. ENERGY: 2669200 756.6583 2089.1104 1960.2258 102.5417 -205883.3906 17750.8637 0.0000 0.0000 34394.4360 -148829.5547 300.3752 -183223.9907 -148729.1427 300.4414 92.0028 126.9622 557126.8240 6.3439 6.4561 PRESSURE: 2669400 -112.402 -145.132 -76.5192 -145.131 -72.6882 -136.707 -76.518 -136.706 121.344 GPRESSURE: 2669400 -69.3611 -126.656 -36.4086 -114.878 -35.5192 -57.9763 -90.6806 -155.063 127.845 PRESSAVG: 2669400 -45.2356 27.5006 -30.9064 27.5006 11.9524 0.668959 -30.9064 0.668927 5.71917 GPRESSAVG: 2669400 -45.9414 26.8676 -31.7819 27.4493 11.3012 -0.359274 -29.0169 3.18496 7.07725 TIMING: 2669400 CPU: 7735.63, 0.00290724/step Wall: 7735.63, 0.00290724/step, 1.88211 hours remaining, 209.007812 MB of memory in use. ENERGY: 2669400 739.8999 2132.9339 1955.0089 125.3729 -205752.9646 17629.7322 0.0000 0.0000 34272.7624 -148897.2546 299.3126 -183170.0170 -148798.8416 300.4557 -21.2487 7.6548 557137.0760 -9.1880 -9.1876 PRESSURE: 2669600 47.7515 137.859 66.9199 137.857 -62.2656 48.4637 66.9208 48.4629 -237.781 GPRESSURE: 2669600 105.384 140.015 6.37919 139.951 -10.989 53.7136 126.592 99.9677 -238.482 PRESSAVG: 2669600 -65.4295 19.3913 15.6535 19.3913 53.5666 8.79144 15.6535 8.79145 30.451 GPRESSAVG: 2669600 -64.93 19.0521 15.7226 19.8654 54.0444 9.30845 15.6223 5.73718 29.5543 TIMING: 2669600 CPU: 7736.21, 0.0029099/step Wall: 7736.21, 0.0029099/step, 1.88367 hours remaining, 209.007812 MB of memory in use. ENERGY: 2669600 784.3570 2113.3187 1970.9751 116.0882 -205466.6087 17542.1970 0.0000 0.0000 34252.8049 -148686.8678 299.1383 -182939.6727 -148594.6647 300.4467 -84.0984 -48.0290 558084.6035 6.1960 6.2229 PRESSURE: 2669800 55.4184 -102.617 97.1326 -102.617 -111.966 -103.519 97.1333 -103.519 276.877 GPRESSURE: 2669800 103.981 -47.0416 165.631 -72.4382 -68.5232 -109.687 85.1457 -28.9542 275.475 PRESSAVG: 2669800 15.7521 26.5414 31.1193 26.5416 -24.0047 -11.417 31.1193 -11.4171 28.2307 GPRESSAVG: 2669800 17.2282 27.0202 31.9366 26.9163 -25.0199 -13.3889 28.878 -9.62008 27.7042 TIMING: 2669800 CPU: 7736.79, 0.00289404/step Wall: 7736.79, 0.00289404/step, 1.87325 hours remaining, 209.007812 MB of memory in use. ENERGY: 2669800 745.1822 2079.1894 1932.5420 115.7352 -205695.8979 17723.1389 0.0000 0.0000 34339.2464 -148760.8639 299.8932 -183100.1102 -148660.3091 300.7846 73.4430 103.6443 556704.8506 6.6594 6.6375 PRESSURE: 2670000 -145.855 140.172 58.6842 140.172 34.1246 -193.909 58.6852 -193.91 86.1769 GPRESSURE: 2670000 -92.9994 185.612 23.703 226.979 42.1569 -227.909 56.7809 -133.967 121.981 PRESSAVG: 2670000 84.8205 23.877 22.5717 23.877 -47.6335 4.64193 22.5717 4.64193 -19.1297 GPRESSAVG: 2670000 84.2921 23.2886 20.7171 22.5341 -47.2558 5.66631 24.6972 4.20758 -18.7452 TIMING: 2670000 CPU: 7737.36, 0.00287308/step Wall: 7737.36, 0.00287308/step, 1.85952 hours remaining, 209.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2670000 783.6661 2094.5780 1955.0555 119.4547 -205715.4628 17579.4310 0.0000 0.0000 34350.0286 -148833.2488 299.9873 -183183.2774 -148735.1941 300.0011 -8.5177 23.7129 556400.0992 6.0191 6.0971 PRESSURE: 2670200 -110.076 195.391 100.433 195.391 -57.4775 21.9353 100.432 21.9364 -248.454 GPRESSURE: 2670200 -62.7902 230.215 76.8111 147.404 -22.5892 15.7232 144.955 15.1231 -220.491 PRESSAVG: 2670200 6.82739 80.1224 46.737 80.1224 3.86493 33.0857 46.7371 33.0858 -2.65099 GPRESSAVG: 2670200 6.55319 79.6706 48.0758 79.9638 3.70692 34.3243 45.1726 33.6957 -2.54774 TIMING: 2670200 CPU: 7737.94, 0.00287552/step Wall: 7737.94, 0.00287552/step, 1.86094 hours remaining, 209.007812 MB of memory in use. ENERGY: 2670200 765.1209 2095.7038 1961.6817 105.4902 -205550.5850 17633.9106 0.0000 0.0000 34057.8738 -148930.8040 297.4359 -182988.6778 -148836.1102 299.5627 -138.6693 -101.9569 557837.0543 2.6804 2.5708 PRESSURE: 2670400 246.683 40.9892 32.482 40.9885 80.7861 15.9307 32.4817 15.9303 108.624 GPRESSURE: 2670400 276.072 116.364 -52.2222 61.6146 110.725 23.095 -19.5493 9.01273 158.283 PRESSAVG: 2670400 31.4549 51.9487 11.7905 51.9487 -54.1203 -1.48546 11.7905 -1.4855 17.4799 GPRESSAVG: 2670400 30.8292 53.3418 10.7278 53.0746 -53.0317 -1.69551 13.6514 -2.99787 17.6318 TIMING: 2670400 CPU: 7738.52, 0.00290096/step Wall: 7738.52, 0.00290096/step, 1.87724 hours remaining, 209.007812 MB of memory in use. ENERGY: 2670400 784.9171 2105.1146 1956.3778 118.5535 -206295.5660 18074.6967 0.0000 0.0000 34451.3115 -148804.5948 300.8719 -183255.9063 -148706.7212 300.1069 145.3645 181.6931 557425.4352 -1.7285 -1.5236 PRESSURE: 2670600 -112.736 79.2648 -57.8408 79.2641 -32.7246 31.548 -57.8423 31.5507 -240.953 GPRESSURE: 2670600 -56.1373 145.319 -71.5964 51.4756 6.61139 14.7481 -54.1367 3.49951 -232.926 PRESSAVG: 2670600 27.801 21.6472 30.9487 21.6471 -25.7503 10.5133 30.9488 10.5134 -22.9192 GPRESSAVG: 2670600 28.3269 20.3002 32.7639 21.1022 -27.5121 10.1472 29.6622 9.68767 -21.211 TIMING: 2670600 CPU: 7739.1, 0.00291258/step Wall: 7739.1, 0.00291258/step, 1.8846 hours remaining, 209.007812 MB of memory in use. ENERGY: 2670600 754.3590 2053.5944 1964.7420 125.1514 -205720.1377 17533.6284 0.0000 0.0000 34249.7993 -149038.8632 299.1120 -183288.6625 -148944.1306 300.0431 -128.8047 -94.1506 558497.5306 -6.9562 -6.7987 PRESSURE: 2670800 -135.271 64.5876 44.8218 64.5872 -19.1516 -20.1787 44.823 -20.1789 8.18936 GPRESSURE: 2670800 -82.6788 -17.4329 110.599 131.284 -7.42007 -3.27617 1.26476 -29.1936 42.9576 PRESSAVG: 2670800 5.46657 47.6871 2.74562 47.687 41.2653 11.4777 2.74567 11.4776 -89.6674 GPRESSAVG: 2670800 5.8885 47.3276 2.77985 48.769 42.1081 10.4502 2.72579 11.8942 -90.9134 TIMING: 2670800 CPU: 7739.68, 0.00291544/step Wall: 7739.68, 0.00291544/step, 1.88629 hours remaining, 209.007812 MB of memory in use. ENERGY: 2670800 750.0673 2132.9841 1926.2418 115.6900 -206118.2169 17805.7888 0.0000 0.0000 34367.5694 -149019.8754 300.1405 -183387.4449 -148925.9043 300.0817 -48.7446 -15.7138 558581.7270 -14.3119 -14.3056 PRESSURE: 2671000 116.326 -168.05 -58.453 -168.05 -96.0573 -229.576 -58.4534 -229.576 -120.007 GPRESSURE: 2671000 124.487 -181.859 -125.571 -212.888 -82.5195 -183.273 -81.7912 -190.039 -50.2237 PRESSAVG: 2671000 30.4371 12.6032 -48.5324 12.6032 -32.7893 -37.214 -48.5324 -37.214 43.1669 GPRESSAVG: 2671000 29.6115 14.1877 -49.2228 11.7018 -33.0198 -36.4904 -46.8634 -35.9491 43.6426 TIMING: 2671000 CPU: 7740.26, 0.00290631/step Wall: 7740.26, 0.00290631/step, 1.88022 hours remaining, 209.007812 MB of memory in use. ENERGY: 2671000 757.0357 2032.7011 1957.7373 111.0313 -206148.5756 17867.3644 0.0000 0.0000 34404.1227 -149018.5832 300.4598 -183422.7059 -148921.4207 299.8023 -33.2463 -2.7522 558762.2792 13.6049 13.4114 PRESSURE: 2671200 -116.842 -22.4178 -67.8684 -22.419 105.731 -148.58 -67.8683 -148.581 54.6449 GPRESSURE: 2671200 -54.9326 69.7898 -48.2049 -199.43 121.709 -102.657 -89.7716 -209.471 69.1705 PRESSAVG: 2671200 -45.1474 -41.3386 8.32132 -41.3385 -32.3789 -76.0834 8.32141 -76.0835 58.0721 GPRESSAVG: 2671200 -43.973 -41.9968 7.78491 -42.5829 -32.7368 -77.4799 7.13078 -75.2763 57.0212 TIMING: 2671200 CPU: 7740.84, 0.0029039/step Wall: 7740.84, 0.0029039/step, 1.8785 hours remaining, 209.007812 MB of memory in use. ENERGY: 2671200 736.4584 2080.1615 1927.6995 110.5993 -205921.4678 17707.2498 0.0000 0.0000 34346.9086 -149012.3906 299.9601 -183359.2992 -148919.0533 299.8243 14.5112 45.3157 557280.1345 -6.4847 -6.5628 PRESSURE: 2671400 5.32158 -146.27 77.6483 -146.271 -344.236 20.2819 77.6482 20.2819 -1.58691 GPRESSURE: 2671400 60.9408 -141.359 53.0701 -188.314 -355.209 1.44377 163.071 -1.7254 48.5351 PRESSAVG: 2671400 -44.0242 17.9582 -24.3882 17.9582 23.6041 -57.3264 -24.3882 -57.3264 32.0016 GPRESSAVG: 2671400 -47.4933 19.939 -22.9412 18.6492 24.8332 -56.3927 -25.2452 -57.3942 34.4971 TIMING: 2671400 CPU: 7741.42, 0.00289471/step Wall: 7741.42, 0.00289471/step, 1.8724 hours remaining, 209.007812 MB of memory in use. ENERGY: 2671400 749.1433 2114.1726 1958.1448 115.5446 -206071.9545 17645.2087 0.0000 0.0000 34435.6553 -149054.0852 300.7351 -183489.7405 -148968.3345 299.4240 -113.5006 -81.9109 557047.0373 3.8605 3.9456 PRESSURE: 2671600 179.564 18.0689 138.291 18.068 71.8846 -11.0752 138.289 -11.0747 119.709 GPRESSURE: 2671600 224.085 90.5813 101.02 -23.1488 83.7547 8.49504 125.596 -78.7003 160.197 PRESSAVG: 2671600 -1.10606 -14.9794 68.9447 -14.9795 -8.16321 -4.82387 68.9447 -4.82389 40.0913 GPRESSAVG: 2671600 1.54687 -16.062 68.038 -14.4024 -8.50121 -4.12043 68.6582 -6.83699 38.2619 TIMING: 2671600 CPU: 7742.01, 0.00290758/step Wall: 7742.01, 0.00290758/step, 1.88056 hours remaining, 209.007812 MB of memory in use. ENERGY: 2671600 748.9169 2060.5161 1913.0960 122.8640 -206395.9470 17981.9714 0.0000 0.0000 34321.5448 -149247.0378 299.7386 -183568.5826 -149141.0943 299.5600 123.7190 156.0123 557555.7395 10.2740 10.4359 PRESSURE: 2671800 2.1891 -61.2879 19.0646 -61.2865 -144.524 -154.886 19.065 -154.886 130.264 GPRESSURE: 2671800 77.8488 -59.4028 8.16102 -82.4086 -116.239 -157.576 39.6622 -144.962 118.491 PRESSAVG: 2671800 24.4368 -7.35326 -14.09 -7.35322 22.4016 33.4134 -14.09 33.4135 29.6122 GPRESSAVG: 2671800 24.5831 -8.28041 -12.7837 -7.51962 23.1131 33.5979 -12.7717 33.7311 28.7769 TIMING: 2671800 CPU: 7742.58, 0.00289581/step Wall: 7742.58, 0.00289581/step, 1.87279 hours remaining, 209.007812 MB of memory in use. ENERGY: 2671800 703.5105 2055.5910 1966.3131 107.6220 -205994.5532 17739.4551 0.0000 0.0000 34245.6126 -149176.4490 299.0755 -183422.0616 -149074.6626 299.5873 -4.0237 26.7003 557638.0719 25.4836 25.4910 PRESSURE: 2672000 -124.535 -15.0369 15.0203 -15.0361 22.5546 -117.998 15.0201 -118 -269.352 GPRESSURE: 2672000 -93.6932 17.7434 41.4433 25.8736 17.1341 -137.346 -53.5135 -113.553 -189.661 PRESSAVG: 2672000 -44.9521 28.0522 -45.5383 28.0522 20.9594 -43.003 -45.5382 -43.0031 -0.4192 GPRESSAVG: 2672000 -44.6672 27.4765 -48.2422 26.5548 20.2136 -43.7813 -45.176 -44.7386 0.860169 TIMING: 2672000 CPU: 7743.16, 0.00289177/step Wall: 7743.16, 0.00289177/step, 1.87001 hours remaining, 209.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2672000 733.8764 2095.4820 1923.3033 130.2144 -205807.6210 17540.7295 0.0000 0.0000 34124.8757 -149259.1395 298.0210 -183384.0153 -149164.4131 299.3214 -123.7775 -88.7400 557292.4856 -8.1373 -7.8645 PRESSURE: 2672200 -112.805 19.5603 -32.2583 19.5602 277.732 -91.9757 -32.2584 -91.9753 61.7492 GPRESSURE: 2672200 -96.2563 -5.98647 -39.033 115.332 318.346 -101.067 -119.592 -107.527 104.211 PRESSAVG: 2672200 -11.81 20.845 -70.3332 20.8449 0.554112 -48.6009 -70.3333 -48.601 70.5997 GPRESSAVG: 2672200 -12.9435 19.3588 -70.2901 23.6561 1.33289 -49.1951 -70.7034 -46.9862 71.1842 TIMING: 2672200 CPU: 7743.75, 0.00292818/step Wall: 7743.75, 0.00292818/step, 1.89339 hours remaining, 209.019531 MB of memory in use. ENERGY: 2672200 793.0685 2122.4118 1971.6941 116.4811 -206530.2676 17974.6252 0.0000 0.0000 34218.7966 -149333.1902 298.8413 -183551.9868 -149234.0985 299.0280 75.5587 108.7668 556418.2027 19.7813 19.8579 LDB: ============= START OF LOAD BALANCING ============== 7747.13 LDB: ============== END OF LOAD BALANCING =============== 7747.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7747.14 LDB: ============= START OF LOAD BALANCING ============== 7747.43 LDB: Largest compute 4801 load 0.024460 is 20.7% of average load 0.117924 LDB: Average compute 0.001729 is 1.5% of average load 0.117924 LDB: TIME 7747.43 LOAD: AVG 0.117924 MAX 0.180097 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.652 MB LDB: TIME 7747.43 LOAD: AVG 0.117924 MAX 0.180097 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.855 MB LDB: TIME 7747.43 LOAD: AVG 0.117924 MAX 0.180097 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7747.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7747.44 PRESSURE: 2672400 4.73503 50.3166 -147.337 50.3161 -43.0132 27.9425 -147.338 27.9426 215.321 GPRESSURE: 2672400 35.6577 36.6379 -153.076 39.7595 -47.5136 -24.7118 -121.969 71.7189 286.932 PRESSAVG: 2672400 17.5799 -22.9463 -38.7162 -22.9464 -57.2573 -34.7937 -38.7163 -34.7937 2.08066 GPRESSAVG: 2672400 18.4496 -21.3032 -37.3853 -24.659 -58.1962 -34.2218 -38.2968 -35.8789 2.36872 TIMING: 2672400 CPU: 7744.34, 0.0029622/step Wall: 7744.34, 0.0029622/step, 1.91523 hours remaining, 211.226562 MB of memory in use. ENERGY: 2672400 718.8422 2075.0061 1968.6282 114.8220 -206390.6523 17892.7988 0.0000 0.0000 34266.2286 -149354.3264 299.2555 -183620.5550 -149249.9727 298.8399 59.0144 91.6922 556983.8366 -12.5322 -12.4593 PRESSURE: 2672600 100.633 -4.33078 12.2507 -4.33022 -396.856 -77.4266 12.2508 -77.4261 -11.6068 GPRESSURE: 2672600 87.2287 36.8409 146.67 -31.5502 -337.419 -105.57 -109.911 -78.4811 30.5561 PRESSAVG: 2672600 10.6831 -64.8532 -14.6594 -64.8531 -30.4741 -14.1633 -14.6594 -14.1633 53.1285 GPRESSAVG: 2672600 10.2707 -65.9234 -13.2726 -65.2678 -29.8259 -17.1843 -17.0881 -11.8047 52.992 TIMING: 2672600 CPU: 7744.92, 0.00287922/step Wall: 7744.92, 0.00287922/step, 1.86142 hours remaining, 211.535156 MB of memory in use. ENERGY: 2672600 743.5336 2168.5678 1944.6930 110.6868 -206293.0342 17730.6824 0.0000 0.0000 34121.1700 -149473.7007 297.9887 -183594.8707 -149387.2187 298.2542 -102.6100 -73.2114 556853.3114 11.1125 11.1456 PRESSURE: 2672800 58.1205 -7.07386 64.0227 -7.07388 160.119 -132.106 64.0234 -132.107 164.58 GPRESSURE: 2672800 74.3501 -47.5114 40.9965 64.4863 196.344 -74.6709 54.6296 -173.697 214.766 PRESSAVG: 2672800 -12.2455 20.6345 -52.4445 20.6346 16.1108 -25.19 -52.4444 -25.1899 13.8915 GPRESSAVG: 2672800 -11.6324 22.9923 -52.4295 19.3337 15.9747 -23.1906 -51.5723 -27.3509 13.4983 TIMING: 2672800 CPU: 7745.49, 0.00288816/step Wall: 7745.49, 0.00288816/step, 1.86703 hours remaining, 211.535156 MB of memory in use. ENERGY: 2672800 726.2329 2038.7970 1942.1622 109.5607 -206888.8442 17981.5561 0.0000 0.0000 34620.3949 -149470.1404 302.3485 -184090.5353 -149369.1531 298.6375 127.6065 161.8201 556777.2977 5.9189 5.9468 PRESSURE: 2673000 279.279 -18.5379 -29.5667 -18.5373 364.46 98.8059 -29.5669 98.8062 44.5112 GPRESSURE: 2673000 309.986 -47.0238 -13.5368 -18.2926 383.216 111.663 -83.7334 26.345 93.4104 PRESSAVG: 2673000 11.3168 -30.9106 17.1938 -30.9106 9.79853 -21.6986 17.1938 -21.6986 -40.8364 GPRESSAVG: 2673000 11.8353 -33.3877 16.9504 -28.5915 11.0347 -22.281 17.9873 -19.7912 -42.2532 TIMING: 2673000 CPU: 7746.07, 0.00288504/step Wall: 7746.07, 0.00288504/step, 1.86486 hours remaining, 211.535156 MB of memory in use. ENERGY: 2673000 742.1346 2083.4700 1929.0563 113.0219 -206917.0328 18230.3664 0.0000 0.0000 34337.9774 -149481.0062 299.8821 -183818.9836 -149388.0278 299.3245 229.4168 262.2043 555319.7732 -6.5737 -6.4611 PRESSURE: 2673200 97.78 -131.697 -15.8031 -131.696 354.532 28.3924 -15.8034 28.3912 -8.81391 GPRESSURE: 2673200 116.671 -55.1695 16.9329 -125.49 399.604 42.4767 -43.7126 5.06691 13.5199 PRESSAVG: 2673200 -0.905529 9.64576 -13.3338 9.64575 -10.5903 0.883883 -13.3338 0.88387 36.4512 GPRESSAVG: 2673200 -0.797731 11.8934 -14.0964 7.67933 -11.4537 1.50674 -12.1426 1.81822 36.8901 TIMING: 2673200 CPU: 7746.65, 0.00290379/step Wall: 7746.65, 0.00290379/step, 1.87681 hours remaining, 211.535156 MB of memory in use. ENERGY: 2673200 730.4639 2080.5414 1975.7308 120.9335 -206682.8129 18124.1061 0.0000 0.0000 34200.2331 -149450.8041 298.6791 -183651.0371 -149358.3600 298.7475 147.8328 176.5983 556515.0231 8.3184 8.2129 PRESSURE: 2673400 -156.363 -74.2106 -21.7667 -74.2093 -26.4549 -6.66004 -21.7675 -6.66065 157.256 GPRESSURE: 2673400 -103.255 -101.259 -8.87286 -128.843 3.73396 14.7734 -71.1152 -78.7633 181.7 PRESSAVG: 2673400 37.249 -57.347 -15.5005 -57.347 -99.2169 -1.92544 -15.5004 -1.92539 57.1931 GPRESSAVG: 2673400 36.6435 -57.7651 -15.5873 -57.8049 -100.806 -3.29727 -16.3344 -2.83896 59.3143 TIMING: 2673400 CPU: 7747.23, 0.00289252/step Wall: 7747.23, 0.00289252/step, 1.86937 hours remaining, 211.535156 MB of memory in use. ENERGY: 2673400 763.1639 2072.1495 1954.3385 125.3995 -206201.0020 17881.6250 0.0000 0.0000 34163.9337 -149240.3919 298.3621 -183404.3256 -149145.6518 298.0352 -8.5205 27.3931 557364.6136 -1.5916 -1.6162 PRESSURE: 2673600 -11.383 -123.362 -101.63 -123.361 163.837 -41.8541 -101.629 -41.8557 58.27 GPRESSURE: 2673600 50.162 -105.286 -85.9613 -154.109 168.316 -35.6295 -61.4696 31.6338 105.829 PRESSAVG: 2673600 -62.1184 -23.8181 17.1039 -23.8182 33.5246 2.9303 17.1039 2.93024 4.44561 GPRESSAVG: 2673600 -62.6274 -24.794 16.3267 -22.5973 34.6253 4.33253 16.8356 2.04602 3.41155 TIMING: 2673600 CPU: 7747.81, 0.0028848/step Wall: 7747.81, 0.0028848/step, 1.86422 hours remaining, 211.535156 MB of memory in use. ENERGY: 2673600 766.3298 2112.8774 1948.2074 124.9626 -206323.0512 17837.0823 0.0000 0.0000 34457.9912 -149075.6004 300.9302 -183533.5916 -148980.7735 299.0584 70.2412 108.1024 556914.9482 -8.0494 -8.1968 PRESSURE: 2673800 56.4754 -178.66 -105.789 -178.66 127.712 63.0557 -105.787 63.0538 47.1212 GPRESSURE: 2673800 108.119 -221.837 -73.1739 -118.218 165.751 19.9908 -155.949 111.224 53.1772 PRESSAVG: 2673800 -13.5297 13.0284 -45.406 13.0284 -11.5108 30.1605 -45.406 30.1606 -7.37992 GPRESSAVG: 2673800 -12.9463 11.1551 -45.217 13.5158 -11.1362 30.1656 -44.8672 31.1904 -8.59416 TIMING: 2673800 CPU: 7748.39, 0.0028986/step Wall: 7748.39, 0.0028986/step, 1.87298 hours remaining, 211.535156 MB of memory in use. ENERGY: 2673800 709.9832 2112.0404 1944.3226 100.5771 -206252.1168 17941.3106 0.0000 0.0000 34348.0317 -149095.8512 299.9699 -183443.8829 -148999.9323 300.0503 77.1028 109.0159 557077.7325 -10.8068 -10.8922 PRESSURE: 2674000 53.332 157.452 -10.3815 157.453 -1.34749 -72.9545 -10.3813 -72.9537 79.8846 GPRESSURE: 2674000 117.838 112.86 -46.1172 176.26 4.32153 -66.7048 -9.22891 -47.9168 105.993 PRESSAVG: 2674000 24.3886 -31.0053 -66.7528 -31.0053 -31.6484 -44.1367 -66.7528 -44.1367 13.9801 GPRESSAVG: 2674000 25.345 -31.338 -64.4493 -31.7407 -33.2218 -46.028 -68.3691 -43.1123 14.701 TIMING: 2674000 CPU: 7748.97, 0.00290229/step Wall: 7748.97, 0.00290229/step, 1.8752 hours remaining, 211.535156 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: 2674000 757.1114 2135.5908 1940.5475 125.0509 -206003.1858 17742.2002 0.0000 0.0000 34288.6901 -149013.9950 299.4517 -183302.6851 -148914.5716 299.7640 43.9564 76.0510 557268.5760 2.2401 2.2747 PRESSURE: 2674200 -20.2522 96.4629 -31.5363 96.462 -40.9173 -51.3039 -31.5358 -51.3059 150.17 GPRESSURE: 2674200 73.5277 17.0402 -2.6761 29.9314 -45.395 -148.104 -21.3819 2.01528 157.933 PRESSAVG: 2674200 20.4247 1.92769 -48.6051 1.92768 -0.727578 -9.69454 -48.6051 -9.69464 -0.928491 GPRESSAVG: 2674200 19.5359 1.80584 -49.7069 2.64325 0.16195 -8.78083 -47.9324 -9.8306 -0.879981 TIMING: 2674200 CPU: 7749.55, 0.00292054/step Wall: 7749.55, 0.00292054/step, 1.88683 hours remaining, 211.535156 MB of memory in use. ENERGY: 2674200 746.2686 2061.2825 1943.6134 113.8241 -206559.1888 17954.6162 0.0000 0.0000 34467.5643 -149272.0196 301.0138 -183739.5839 -149179.7630 299.4534 29.6669 62.0217 558322.8898 6.2562 6.2726 PRESSURE: 2674400 -251.529 -18.9303 -66.5327 -18.9305 -130.285 123.02 -66.5325 123.021 203.128 GPRESSURE: 2674400 -226.784 -58.5139 -104.201 -33.4894 -81.5315 144.817 -58.5216 147.198 231.21 PRESSAVG: 2674400 -54.6209 32.1925 -2.1726 32.1925 15.0602 -9.56651 -2.1727 -9.56651 -22.6431 GPRESSAVG: 2674400 -54.4057 34.0807 -2.91463 31.8224 15.5575 -11.4424 -2.06818 -10.6248 -23.1965 TIMING: 2674400 CPU: 7750.13, 0.00289619/step Wall: 7750.13, 0.00289619/step, 1.87094 hours remaining, 211.535156 MB of memory in use. ENERGY: 2674400 784.3697 2097.6533 1975.6078 103.6811 -206236.2694 17781.7679 0.0000 0.0000 34201.6595 -149291.5302 298.6916 -183493.1896 -149198.8802 299.2230 -59.5618 -25.7019 558600.0746 -20.7346 -20.6816 PRESSURE: 2674600 103.446 -27.9161 -11.0123 -27.9153 219.888 -8.58846 -11.0129 -8.58732 186.179 GPRESSURE: 2674600 93.4287 -10.7852 -30.6085 -30.9552 289.832 -11.4687 -13.4013 86.8191 214.304 PRESSAVG: 2674600 0.730426 -2.74245 14.5574 -2.74237 -12.0371 -22.1471 14.5574 -22.1471 36.3521 GPRESSAVG: 2674600 0.156989 -2.33281 16.9817 -3.44969 -12.3925 -19.8791 12.9312 -20.7159 37.4378 TIMING: 2674600 CPU: 7750.71, 0.00288506/step Wall: 7750.71, 0.00288506/step, 1.86359 hours remaining, 211.535156 MB of memory in use. ENERGY: 2674600 741.6698 2062.0034 1944.9529 120.9387 -206400.3145 18003.2736 0.0000 0.0000 34479.7778 -149047.6984 301.1205 -183527.4763 -148952.3435 299.8424 169.8377 199.1884 556301.4773 8.3485 8.4008 PRESSURE: 2674800 154.529 -55.7001 141.027 -55.7009 -129.33 -43.4268 141.029 -43.4264 -142.133 GPRESSURE: 2674800 126.788 -89.4672 167.029 -40.8836 -57.1889 1.92786 95.571 -69.7207 -81.0946 PRESSAVG: 2674800 -6.61695 -17.4353 9.56592 -17.4353 -14.182 -24.7204 9.5659 -24.7203 45.6515 GPRESSAVG: 2674800 -7.02582 -16.9036 7.20402 -16.7476 -13.7546 -26.2421 10.827 -24.9222 45.7731 TIMING: 2674800 CPU: 7751.29, 0.00288544/step Wall: 7751.29, 0.00288544/step, 1.86367 hours remaining, 211.535156 MB of memory in use. ENERGY: 2674800 767.4237 2126.4682 1937.1082 115.8233 -206001.6482 17728.8788 0.0000 0.0000 34383.7871 -148942.1589 300.2822 -183325.9460 -148841.7033 299.6220 -38.9782 -3.8320 557894.8348 8.2842 8.3309 PRESSURE: 2675000 166.435 -53.1308 -3.32567 -53.1313 114.474 -72.018 -3.32516 -72.0179 337.156 GPRESSURE: 2675000 205.852 -60.8344 16.6588 -39.0335 135.172 -64.6038 -38.3818 -57.6594 387.491 PRESSAVG: 2675000 -3.1089 -69.263 30.5643 -69.2631 37.6239 -51.7316 30.5644 -51.7316 10.2863 GPRESSAVG: 2675000 -2.58615 -70.6987 32.3266 -69.5625 38.5492 -49.4078 28.609 -53.4631 8.71812 TIMING: 2675000 CPU: 7751.87, 0.00290849/step Wall: 7751.87, 0.00290849/step, 1.8784 hours remaining, 211.535156 MB of memory in use. ENERGY: 2675000 715.0158 2082.6341 1965.2156 123.9852 -206388.6533 18248.2015 0.0000 0.0000 34358.2621 -148895.3392 300.0592 -183253.6013 -148799.2244 300.0471 206.0216 242.8381 558958.4361 14.9338 14.8937 PRESSURE: 2675200 -102.6 -23.8069 -60.3507 -23.8063 -132.185 -21.0903 -60.3492 -21.0909 -133.751 GPRESSURE: 2675200 -115.93 -55.1481 -77.9479 -15.635 -88.2501 -90.3549 -46.8414 -48.6145 -55.0091 PRESSAVG: 2675200 -26.1509 -12.4025 28.0706 -12.4024 12.6976 -32.0041 28.0706 -32.004 55.324 GPRESSAVG: 2675200 -25.2098 -12.4219 26.5402 -9.87988 11.4479 -32.6967 30.2911 -32.5898 55.615 TIMING: 2675200 CPU: 7752.45, 0.00290519/step Wall: 7752.45, 0.00290519/step, 1.87611 hours remaining, 211.535156 MB of memory in use. ENERGY: 2675200 729.7146 2131.9989 1947.4391 104.4711 -205681.3810 17634.3141 0.0000 0.0000 34431.9300 -148701.5132 300.7026 -183133.4432 -148604.5049 299.8634 -122.8452 -86.3965 557350.5643 13.9569 13.9510 PRESSURE: 2675400 -174.851 -75.6528 -172.572 -75.6527 -35.1313 76.0112 -172.571 76.0117 95.1264 GPRESSURE: 2675400 -165.57 -143.019 -250.493 -74.3805 -20.9354 55.3694 -93.7475 135.674 168.761 PRESSAVG: 2675400 52.8563 -19.9102 17.8846 -19.9102 17.1299 -3.54198 17.8846 -3.54201 -53.0333 GPRESSAVG: 2675400 51.5026 -20.1633 17.5239 -22.7874 17.9922 -3.27295 18.569 -2.15903 -52.4427 TIMING: 2675400 CPU: 7753.03, 0.00291268/step Wall: 7753.03, 0.00291268/step, 1.88078 hours remaining, 211.535156 MB of memory in use. ENERGY: 2675400 743.4312 2079.7621 1953.4845 104.6180 -205705.0147 17662.2140 0.0000 0.0000 34420.6630 -148740.8418 300.6042 -183161.5048 -148646.1109 300.2147 -38.2852 -5.9148 558575.6339 5.6510 5.6840 PRESSURE: 2675600 -259.997 -46.6298 -156.761 -46.6285 47.0399 37.4719 -156.76 37.4718 -318.692 GPRESSURE: 2675600 -237.684 8.3841 -109.325 44.2728 74.0276 69.28 -196.42 -17.7264 -269.363 PRESSAVG: 2675600 -48.2618 -53.3891 29.1753 -53.3891 4.74216 37.7787 29.1753 37.7788 36.5112 GPRESSAVG: 2675600 -47.9975 -50.9567 29.7394 -52.4089 3.33409 35.9161 27.7225 37.3207 37.3903 TIMING: 2675600 CPU: 7753.61, 0.00291503/step Wall: 7753.61, 0.00291503/step, 1.88214 hours remaining, 211.535156 MB of memory in use. ENERGY: 2675600 739.0017 2133.6165 1949.9560 110.1645 -205226.5057 17363.2971 0.0000 0.0000 34332.8066 -148597.6634 299.8369 -182930.4700 -148499.5590 300.2964 -177.2167 -144.3396 559200.1287 -2.3362 -2.4244 PRESSURE: 2675800 -125.852 103.194 -14.4148 103.194 -62.7976 19.4657 -14.4147 19.4684 -95.0509 GPRESSURE: 2675800 -150.973 80.1564 -1.86046 28.4243 0.30199 -43.8452 8.2955 108.095 -34.9253 PRESSAVG: 2675800 -9.88286 -10.124 4.78335 -10.1239 18.599 14.0532 4.78332 14.0533 -18.2378 GPRESSAVG: 2675800 -8.87075 -13.6841 5.11508 -10.6793 18.8505 16.3382 6.03303 13.0099 -18.6678 TIMING: 2675800 CPU: 7754.2, 0.00291966/step Wall: 7754.2, 0.00291966/step, 1.88496 hours remaining, 211.535156 MB of memory in use. ENERGY: 2675800 745.1385 2169.6610 1942.2551 118.1069 -205910.9645 17648.3936 0.0000 0.0000 34780.8044 -148506.6050 303.7494 -183287.4094 -148409.8385 301.6570 -94.5667 -61.8655 558624.7227 -3.1739 -2.8960 PRESSURE: 2676000 -148.742 -14.4254 -156.796 -14.4253 -212.772 3.38924 -156.796 3.38797 59.8751 GPRESSURE: 2676000 -46.4921 -73.9726 -136.43 -52.4482 -194.633 -14.8204 -216.821 -51.3794 39.2201 PRESSAVG: 2676000 85.9385 4.52773 -2.81378 4.52775 -23.8548 29.7012 -2.81392 29.7011 -42.9667 GPRESSAVG: 2676000 85.4427 7.76257 -0.666049 3.80304 -23.645 28.1086 -4.10214 30.0187 -43.3951 TIMING: 2676000 CPU: 7754.78, 0.00290086/step Wall: 7754.78, 0.00290086/step, 1.87266 hours remaining, 211.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2676000 735.5638 2104.7722 1943.6619 112.9916 -205625.0089 17616.1472 0.0000 0.0000 34476.7637 -148635.1085 301.0942 -183111.8722 -148536.8946 301.1187 -100.5462 -67.3016 558552.3408 6.3723 6.1342 PRESSURE: 2676200 85.9828 -135.78 -63.1305 -135.781 -11.7615 -12.2978 -63.1298 -12.2974 19.6835 GPRESSURE: 2676200 112.942 -136.641 -154.665 -103.999 25.3811 -38.089 -39.1508 -10.2408 56.2556 PRESSAVG: 2676200 0.177764 -2.91341 -65.2051 -2.91343 -4.62533 24.4417 -65.2051 24.4417 -12.0478 GPRESSAVG: 2676200 0.141741 -3.69106 -65.93 -2.75263 -5.49957 24.4962 -63.3898 25.649 -10.9426 TIMING: 2676200 CPU: 7755.36, 0.0029098/step Wall: 7755.36, 0.0029098/step, 1.87827 hours remaining, 211.597656 MB of memory in use. ENERGY: 2676200 754.2364 2075.9319 1958.1641 120.4048 -205760.4759 17782.4708 0.0000 0.0000 34556.0579 -148513.2101 301.7866 -183069.2680 -148416.6401 301.2579 31.3016 64.8597 557514.6678 -5.4985 -5.4335 LDB: ============= START OF LOAD BALANCING ============== 7758.75 LDB: ============== END OF LOAD BALANCING =============== 7758.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7758.75 LDB: ============= START OF LOAD BALANCING ============== 7759.04 LDB: Largest compute 4820 load 0.025591 is 21.7% of average load 0.117934 LDB: Average compute 0.001739 is 1.5% of average load 0.117934 LDB: TIME 7759.04 LOAD: AVG 0.117934 MAX 0.177803 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.148 MB LDB: TIME 7759.04 LOAD: AVG 0.117934 MAX 0.177803 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.148 MB LDB: TIME 7759.04 LOAD: AVG 0.117934 MAX 0.177803 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.148 MB LDB: ============== END OF LOAD BALANCING =============== 7759.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7759.05 PRESSURE: 2676400 120.708 66.3767 -15.8701 66.3761 269.401 -121.159 -15.8701 -121.158 70.3342 GPRESSURE: 2676400 165.636 30.0151 -16.8476 171.736 269.614 -82.8489 31.1709 -100.332 118.316 PRESSAVG: 2676400 12.3686 -39.3753 16.0326 -39.3752 -9.84201 -8.77539 16.0326 -8.77533 -0.996183 GPRESSAVG: 2676400 12.9564 -38.9102 15.2911 -38.7066 -9.44311 -8.28417 16.3061 -9.39252 -2.35297 TIMING: 2676400 CPU: 7755.95, 0.00296097/step Wall: 7755.95, 0.00296097/step, 1.91114 hours remaining, 208.449219 MB of memory in use. ENERGY: 2676400 756.2227 2133.0350 1954.8792 114.5433 -205786.6097 17875.7232 0.0000 0.0000 34525.4288 -148426.7774 301.5192 -182952.2062 -148333.1454 301.9561 153.4810 184.5218 556534.0820 0.5102 0.3868 PRESSURE: 2676600 -152.298 125.075 -45.5795 125.074 -278.541 -20.4056 -45.5802 -20.4056 -343.428 GPRESSURE: 2676600 -143.993 122.036 -49.3727 76.3664 -288.96 -90.4944 -12.0381 23.2369 -234.967 PRESSAVG: 2676600 31.3441 -2.60698 38.2596 -2.60702 -24.7204 31.1908 38.2595 31.1909 18.049 GPRESSAVG: 2676600 30.9325 -5.04378 39.4766 1.22419 -24.6272 31.2305 37.2164 32.158 18.744 TIMING: 2676600 CPU: 7756.53, 0.00288723/step Wall: 7756.53, 0.00288723/step, 1.86339 hours remaining, 208.652344 MB of memory in use. ENERGY: 2676600 725.1803 2093.4056 1962.0442 126.9961 -205023.6863 17120.7689 0.0000 0.0000 34538.4136 -148456.8777 301.6326 -182995.2913 -148353.5002 302.3261 -258.0890 -222.6400 558322.7085 8.2242 8.3498 PRESSURE: 2676800 -191.359 -24.7485 13.6161 -24.7477 -37.5683 8.57368 13.6152 8.57434 -218.399 GPRESSURE: 2676800 -191.154 -87.948 3.24609 48.0836 3.45834 22.6464 -45.1859 54.8148 -141.904 PRESSAVG: 2676800 -75.913 26.4385 -34.1897 26.4384 -44.6614 6.3711 -34.1897 6.37113 77.1505 GPRESSAVG: 2676800 -76.1817 27.6932 -38.1282 24.4781 -44.7458 5.67058 -31.0667 6.48279 77.7868 TIMING: 2676800 CPU: 7757.11, 0.00289503/step Wall: 7757.11, 0.00289503/step, 1.86826 hours remaining, 208.652344 MB of memory in use. ENERGY: 2676800 731.2114 2097.0823 1987.7332 119.1851 -205167.8126 17327.9828 0.0000 0.0000 34557.9605 -148346.6573 301.8033 -182904.6178 -148245.9805 301.5820 -149.1088 -109.8665 559540.4521 -14.4746 -14.3803 PRESSURE: 2677000 -109.852 177.134 37.0316 177.133 104.273 -11.2054 37.0312 -11.2052 -103.823 GPRESSURE: 2677000 -35.1574 221.829 33.5664 102.909 87.1459 21.6866 19.0855 -147.686 -63.0239 PRESSAVG: 2677000 -73.3803 -18.4363 35.9273 -18.4363 -46.9488 -1.33666 35.9272 -1.33663 107.316 GPRESSAVG: 2677000 -73.8192 -18.0998 37.6263 -19.9021 -46.2693 -0.460708 34.1208 -4.35869 106.574 TIMING: 2677000 CPU: 7757.69, 0.00290239/step Wall: 7757.69, 0.00290239/step, 1.87285 hours remaining, 208.652344 MB of memory in use. ENERGY: 2677000 756.0874 2092.1383 1946.0551 115.2572 -205469.3630 17674.5501 0.0000 0.0000 34431.3612 -148453.9137 300.6976 -182885.2749 -148346.2368 301.2267 -36.4671 -3.6785 557427.8404 -4.3378 -4.5049 PRESSURE: 2677200 42.5544 -0.748488 -114.194 -0.746587 327.798 -208.221 -114.192 -208.221 2.26604 GPRESSURE: 2677200 86.9876 -79.749 12.5856 80.106 394.568 -116.773 -70.3332 -341.279 -13.9066 PRESSAVG: 2677200 -26.7661 -17.4026 8.75027 -17.4025 3.66538 6.84957 8.75028 6.8496 -1.00499 GPRESSAVG: 2677200 -27.0787 -20.0668 10.403 -13.7285 3.89479 6.66396 8.91898 7.83685 -1.10538 TIMING: 2677200 CPU: 7758.27, 0.00291014/step Wall: 7758.27, 0.00291014/step, 1.87769 hours remaining, 208.652344 MB of memory in use. ENERGY: 2677200 773.9620 2119.5405 1966.7082 108.9553 -206147.7891 17986.8291 0.0000 0.0000 34578.4202 -148613.3738 301.9819 -183191.7939 -148516.6024 301.2350 124.2060 155.8829 555766.3653 -8.0352 -8.0964 PRESSURE: 2677400 16.3682 131.009 11.2358 131.009 98.8273 164.158 11.2347 164.157 66.874 GPRESSURE: 2677400 23.0576 182.933 21.4264 42.8584 219.409 181.007 -36.2018 209.095 42.389 PRESSAVG: 2677400 -30.5317 -9.28893 -16.3444 -9.28899 15.4336 22.4105 -16.3445 22.4106 36.2244 GPRESSAVG: 2677400 -30.0927 -6.7846 -17.2568 -11.731 14.7574 20.6551 -16.6823 25.0094 36.0494 TIMING: 2677400 CPU: 7758.85, 0.00290289/step Wall: 7758.85, 0.00290289/step, 1.87285 hours remaining, 208.652344 MB of memory in use. ENERGY: 2677400 743.3702 2091.8620 1976.5097 122.2832 -206261.9244 17980.7064 0.0000 0.0000 34569.4112 -148777.7818 301.9033 -183347.1930 -148688.4067 300.6587 60.6898 94.9517 559053.4287 7.0421 6.9047 PRESSURE: 2677600 -70.2047 105.07 -50.0002 105.07 202.564 53.4309 -49.9992 53.43 229.557 GPRESSURE: 2677600 -53.7727 168.831 12.3521 97.9956 230.024 114.447 -142.332 -9.25553 284.907 PRESSAVG: 2677600 -23.2584 -40.49 -55.3327 -40.49 22.2408 -8.05376 -55.3326 -8.0538 74.0332 GPRESSAVG: 2677600 -22.2467 -41.5608 -56.4255 -40.4327 22.019 -8.26123 -54.485 -9.23181 73.7143 TIMING: 2677600 CPU: 7759.43, 0.00289835/step Wall: 7759.43, 0.00289835/step, 1.86976 hours remaining, 208.652344 MB of memory in use. ENERGY: 2677600 757.4220 2102.5760 2007.3472 118.1955 -206065.0115 17980.8873 0.0000 0.0000 34405.9209 -148692.6624 300.4755 -183098.5833 -148591.4833 300.8993 120.6387 153.7193 558726.3335 24.3385 24.4955 PRESSURE: 2677800 -304.091 -115.163 20.2739 -115.163 52.9412 48.1523 20.2719 48.1522 -73.4335 GPRESSURE: 2677800 -247.688 -26.0389 -4.499 -49.1584 63.4662 1.73344 -23.8473 -58.6186 -37.8406 PRESSAVG: 2677800 -52.1456 -51.857 18.2887 -51.8569 34.7928 -13.8185 18.2886 -13.8186 55.8055 GPRESSAVG: 2677800 -52.4217 -50.7993 21.6694 -51.5574 35.7558 -10.6437 15.3054 -14.5314 55.32 TIMING: 2677800 CPU: 7760.01, 0.00291017/step Wall: 7760.01, 0.00291017/step, 1.87722 hours remaining, 208.652344 MB of memory in use. ENERGY: 2677800 778.5398 2107.3812 1974.5122 108.8886 -205903.5733 17700.4294 0.0000 0.0000 34560.1014 -148673.7207 301.8220 -183233.8220 -148582.6143 300.6593 -108.1944 -74.0207 557970.6967 12.8176 12.8847 PRESSURE: 2678000 83.728 62.6507 -99.5837 62.6504 94.0663 -152.038 -99.5843 -152.039 97.3762 GPRESSURE: 2678000 118.857 8.0613 -88.6543 0.288754 112.332 -147.152 -64.2709 -76.3321 133.518 PRESSAVG: 2678000 -81.9899 -25.3303 -46.0754 -25.3303 89.8953 24.7713 -46.0754 24.7712 58.5683 GPRESSAVG: 2678000 -81.2058 -25.194 -49.0749 -25.781 88.6497 22.3881 -43.2683 24.5702 59.0985 TIMING: 2678000 CPU: 7760.6, 0.00291277/step Wall: 7760.6, 0.00291277/step, 1.87874 hours remaining, 208.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2678000 721.5532 2110.3782 1951.8036 113.4342 -205714.4497 17742.3595 0.0000 0.0000 34476.7548 -148598.1661 301.0941 -183074.9209 -148505.2642 301.0750 91.7235 121.5691 557133.5398 22.1579 22.1808 PRESSURE: 2678200 142.36 -64.7439 -26.4181 -64.745 -47.1566 22.777 -26.4184 22.7785 -68.6678 GPRESSURE: 2678200 165.193 -59.2542 -18.251 13.1604 13.1976 43.0315 -72.4646 -72.9065 -49.3308 PRESSAVG: 2678200 -0.228066 -14.51 -92.2243 -14.51 20.3787 -36.0288 -92.2244 -36.0289 -30.2097 GPRESSAVG: 2678200 -1.36003 -16.0704 -90.769 -12.3775 20.3901 -36.0483 -93.7594 -35.072 -29.2817 TIMING: 2678200 CPU: 7761.18, 0.0028984/step Wall: 7761.18, 0.0028984/step, 1.86931 hours remaining, 208.652344 MB of memory in use. ENERGY: 2678200 747.4233 2074.1068 1945.5524 108.4017 -205750.1874 17884.8314 0.0000 0.0000 34355.0627 -148634.8090 300.0313 -182989.8717 -148536.2385 300.5695 8.8451 43.0199 557202.2084 -3.3530 -3.4172 PRESSURE: 2678400 57.3476 -29.6275 47.5297 -29.6278 339.593 -163.243 47.5298 -163.243 -248.049 GPRESSURE: 2678400 73.1561 -12.5442 58.7072 -16.2132 350.08 -171.912 42.6198 -244.242 -182.543 PRESSAVG: 2678400 6.0593 -8.40068 17.6431 -8.4007 18.2422 3.99805 17.6431 3.99795 -51.7973 GPRESSAVG: 2678400 6.34647 -7.0895 18.7322 -11.7415 18.3245 5.98504 16.3078 3.13042 -52.0298 TIMING: 2678400 CPU: 7761.75, 0.00289738/step Wall: 7761.75, 0.00289738/step, 1.86849 hours remaining, 208.652344 MB of memory in use. ENERGY: 2678400 769.7959 2115.9169 1967.3210 122.2658 -205795.5642 17772.5960 0.0000 0.0000 34270.6038 -148777.0649 299.2937 -183047.6687 -148680.8102 300.5830 49.6305 80.2312 558333.2951 -9.1653 -9.1196 PRESSURE: 2678600 16.3975 -150.469 -43.8937 -150.469 188.183 -2.60752 -43.8937 -2.60772 -63.2296 GPRESSURE: 2678600 71.9537 -136.389 41.1433 -197.803 186.295 -49.3596 -83.1878 -10.9854 -18.7332 PRESSAVG: 2678600 79.3142 -44.1365 46.6868 -44.1365 -41.8944 12.0444 46.6869 12.0443 -22.9523 GPRESSAVG: 2678600 79.1012 -43.8791 44.8608 -43.8887 -40.2456 11.4105 48.7451 10.1903 -24.414 TIMING: 2678600 CPU: 7762.33, 0.00287974/step Wall: 7762.33, 0.00287974/step, 1.85696 hours remaining, 208.652344 MB of memory in use. ENERGY: 2678600 757.2557 2091.1573 1949.6229 98.8614 -205989.8396 17777.5836 0.0000 0.0000 34389.5382 -148925.8206 300.3324 -183315.3588 -148819.1009 300.1936 47.1169 79.8386 556976.0247 4.8225 4.8139 PRESSURE: 2678800 -40.068 27.3095 124.131 27.3096 -111.063 -173.274 124.131 -173.275 -196.273 GPRESSURE: 2678800 5.92572 -26.5523 125.419 -7.53769 -77.3644 -190.639 132.017 -196.442 -189.25 PRESSAVG: 2678800 -11.4181 5.5013 36.8419 5.50125 -9.31836 -68.4484 36.8418 -68.4483 19.0522 GPRESSAVG: 2678800 -11.8742 5.35503 37.2748 6.95318 -9.5996 -68.124 37.1771 -67.7758 19.5957 TIMING: 2678800 CPU: 7762.91, 0.00287684/step Wall: 7762.91, 0.00287684/step, 1.85493 hours remaining, 208.652344 MB of memory in use. ENERGY: 2678800 732.7908 2103.6562 1947.7564 117.1911 -205540.6470 17530.8367 0.0000 0.0000 34143.4566 -148964.9592 298.1833 -183108.4158 -148872.0135 299.9567 -115.8011 -86.8961 558550.3354 -0.5614 -0.6260 PRESSURE: 2679000 39.646 -72.4648 -73.465 -72.4659 -13.2008 -28.4486 -73.4661 -28.4506 -208.212 GPRESSURE: 2679000 102.879 -52.3255 -61.8792 -13.2702 36.0844 -19.5816 -38.4362 53.8268 -217.004 PRESSAVG: 2679000 -23.0784 -9.34176 -9.64002 -9.34173 -15.5401 -84.1545 -9.64009 -84.1544 22.6189 GPRESSAVG: 2679000 -22.0187 -9.50615 -10.2268 -11.1041 -16.5024 -87.1598 -8.50751 -81.5101 22.2218 TIMING: 2679000 CPU: 7763.48, 0.00287904/step Wall: 7763.48, 0.00287904/step, 1.85618 hours remaining, 208.652344 MB of memory in use. ENERGY: 2679000 768.4524 2089.0488 1944.1394 109.8585 -206148.7136 17848.5046 0.0000 0.0000 34361.8588 -149026.8512 300.0907 -183388.7100 -148931.1469 299.5189 -60.5889 -26.0135 558668.4699 -5.3332 -5.4331 PRESSURE: 2679200 -28.2823 -221.661 38.6013 -221.661 -228.003 83.285 38.6016 83.2859 -2.52921 GPRESSURE: 2679200 25.1477 -279.914 27.1182 -135.602 -181.222 -33.9612 97.0866 93.5102 -14.2263 PRESSAVG: 2679200 -62.0253 -41.0903 -37.4636 -41.0903 56.5712 -63.7945 -37.4635 -63.7945 -42.0088 GPRESSAVG: 2679200 -62.0146 -42.4437 -36.7408 -41.2741 56.7255 -62.9776 -39.7798 -64.4679 -41.5951 TIMING: 2679200 CPU: 7764.06, 0.00289714/step Wall: 7764.06, 0.00289714/step, 1.86769 hours remaining, 208.652344 MB of memory in use. ENERGY: 2679200 775.2235 2051.2259 1968.5880 111.0611 -206089.9649 17843.2851 0.0000 0.0000 34363.1981 -148977.3831 300.1024 -183340.5812 -148881.5882 299.4857 -86.2715 -56.7668 558196.1559 -15.8210 -15.6281 PRESSURE: 2679400 144.405 -186.233 -0.828512 -186.232 -35.1162 -19.882 -0.829537 -19.8819 -112.125 GPRESSURE: 2679400 121.082 -224.965 -19.6708 -159.084 -15.3307 -4.62979 21.5719 -12.6849 -29.2832 PRESSAVG: 2679400 -19.8792 -12.1765 1.14837 -12.1765 14.1877 11.8182 1.14834 11.8181 -10.0671 GPRESSAVG: 2679400 -20.1678 -11.7627 -0.622391 -9.86965 13.544 11.9527 2.32787 14.0571 -9.10222 TIMING: 2679400 CPU: 7764.64, 0.00288275/step Wall: 7764.64, 0.00288275/step, 1.85825 hours remaining, 208.652344 MB of memory in use. ENERGY: 2679400 739.8957 2111.9744 1956.4095 115.6179 -206142.8546 17739.9283 0.0000 0.0000 34484.8340 -148994.1948 301.1646 -183479.0288 -148896.8065 299.4772 -0.9454 25.4893 557818.9280 -5.2529 -5.2420 PRESSURE: 2679600 -269.885 36.5667 188.431 36.5674 -111.413 -73.1311 188.431 -73.1324 -116.846 GPRESSURE: 2679600 -255.967 26.42 129.311 44.4317 -90.6311 9.66063 169.981 -63.9198 -56.114 PRESSAVG: 2679600 10.3391 39.8098 24.6489 39.8099 -36.5521 2.62037 24.6489 2.62018 -3.33002 GPRESSAVG: 2679600 10.1648 39.2357 25.2626 39.6622 -35.9747 2.44361 24.9916 0.10556 -3.91968 TIMING: 2679600 CPU: 7765.21, 0.00288457/step Wall: 7765.21, 0.00288457/step, 1.85927 hours remaining, 208.855469 MB of memory in use. ENERGY: 2679600 756.3382 2041.4931 1979.1902 117.1384 -205810.8717 17619.9898 0.0000 0.0000 34171.5353 -149125.1866 298.4285 -183296.7220 -149028.1663 299.7118 -166.0479 -134.2373 557981.9218 -9.8477 -9.9099 PRESSURE: 2679800 -173.646 79.4288 -9.42904 79.4295 -180.418 -201.851 -9.42888 -201.852 12.4008 GPRESSURE: 2679800 -128.853 45.6999 8.72359 -5.02326 -158.261 -157.542 -9.3894 -153.92 39.2647 PRESSAVG: 2679800 -30.6598 5.87533 26.6405 5.87529 3.14561 41.3271 26.6403 41.3272 -10.7979 GPRESSAVG: 2679800 -30.2678 6.2684 29.1505 4.81494 2.90618 43.5545 25.487 40.258 -10.7287 TIMING: 2679800 CPU: 7765.79, 0.00289047/step Wall: 7765.79, 0.00289047/step, 1.86291 hours remaining, 208.855469 MB of memory in use. ENERGY: 2679800 756.6791 2027.4838 1950.2472 109.2954 -205837.2127 17725.3931 0.0000 0.0000 34246.0914 -149022.0227 299.0796 -183268.1141 -148922.0777 298.8451 -113.8880 -82.6164 558736.9999 -12.7707 -12.6968 PRESSURE: 2680000 -139.925 73.3816 42.1193 73.3819 -10.597 84.2475 42.1186 84.247 -72.4943 GPRESSURE: 2680000 -105.631 120.084 66.7446 46.8781 15.8167 69.5567 104.722 23.3412 -42.1209 PRESSAVG: 2680000 -67.7406 -20.1251 -10.1132 -20.1252 53.5426 -9.10123 -10.1133 -9.10123 -2.47999 GPRESSAVG: 2680000 -67.8224 -19.5972 -13.3848 -19.1923 54.6737 -10.161 -7.37199 -8.70032 -3.65162 TIMING: 2680000 CPU: 7766.37, 0.0029091/step Wall: 7766.37, 0.0029091/step, 1.87475 hours remaining, 208.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2680000 718.1335 2128.2191 1937.1957 107.3991 -205871.5423 17499.6175 0.0000 0.0000 34339.7392 -149141.2383 299.8975 -183480.9775 -149042.6917 299.0795 -74.3388 -43.9783 557219.3472 -5.5593 -5.6001 PRESSURE: 2680200 -211.039 90.7752 -60.4727 90.776 -96.4026 -123.034 -60.4736 -123.034 -311.013 GPRESSURE: 2680200 -169.121 139.566 -33.8519 60.9713 -29.0972 -162.796 -82.0722 -74.454 -329.503 PRESSAVG: 2680200 7.74711 -4.12553 37.6856 -4.12548 87.9556 33.1886 37.6856 33.1885 -31.0204 GPRESSAVG: 2680200 7.37876 -2.13227 39.3823 -7.95661 86.5773 32.3295 34.5399 34.3623 -29.4295 TIMING: 2680200 CPU: 7766.96, 0.00291443/step Wall: 7766.96, 0.00291443/step, 1.87803 hours remaining, 208.855469 MB of memory in use. ENERGY: 2680200 741.3208 2074.3840 1934.8870 104.4082 -205733.5490 17377.7310 0.0000 0.0000 34321.0135 -149179.8045 299.7339 -183500.8180 -149083.2115 299.6259 -206.1515 -175.9070 556840.0899 21.5608 21.5089 LDB: ============= START OF LOAD BALANCING ============== 7770.34 LDB: ============== END OF LOAD BALANCING =============== 7770.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7770.35 LDB: ============= START OF LOAD BALANCING ============== 7770.63 LDB: Largest compute 4820 load 0.025111 is 21.3% of average load 0.117999 LDB: Average compute 0.001737 is 1.5% of average load 0.117999 LDB: TIME 7770.64 LOAD: AVG 0.117999 MAX 0.178055 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.652 MB LDB: TIME 7770.64 LOAD: AVG 0.117999 MAX 0.178055 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: TIME 7770.64 LOAD: AVG 0.117999 MAX 0.178055 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7770.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7770.64 PRESSURE: 2680400 -93.6303 -2.93755 135.05 -2.93656 52.6609 159.425 135.05 159.426 -13.7923 GPRESSURE: 2680400 -36.6021 67.5898 83.079 -132.269 113.462 166.317 63.7235 146.241 -35.6006 PRESSAVG: 2680400 -44.0707 8.26889 -29.7493 8.26892 74.9605 55.5401 -29.7492 55.5401 -40.4487 GPRESSAVG: 2680400 -43.7173 5.89525 -29.1385 11.7695 76.3015 57.8645 -29.4529 53.9857 -41.4796 TIMING: 2680400 CPU: 7767.55, 0.00295063/step Wall: 7767.55, 0.00295063/step, 1.90119 hours remaining, 209.152344 MB of memory in use. ENERGY: 2680400 706.7334 2104.4312 1955.2519 98.8940 -206009.6584 17706.1568 0.0000 0.0000 34300.4354 -149137.7558 299.5542 -183438.1911 -149042.2487 298.9211 -18.2539 13.7530 556846.1564 -3.1863 -2.9651 PRESSURE: 2680600 242.098 195.797 -105.43 195.796 -415.02 168.89 -105.43 168.891 -103.364 GPRESSURE: 2680600 162.459 154.442 -126.002 180.621 -327.101 131.963 -62.5279 191.531 -22.079 PRESSAVG: 2680600 27.3185 17.0764 -36.2318 17.0764 27.1762 -21.8854 -36.2318 -21.8854 3.59194 GPRESSAVG: 2680600 26.3855 17.672 -37.817 17.2024 27.5187 -22.5119 -36.1692 -21.874 4.22393 TIMING: 2680600 CPU: 7768.12, 0.0028713/step Wall: 7768.12, 0.0028713/step, 1.84992 hours remaining, 209.609375 MB of memory in use. ENERGY: 2680600 711.2890 2046.6164 1959.0260 107.6265 -206166.5371 17580.8840 0.0000 0.0000 34395.0051 -149366.0900 300.3801 -183761.0951 -149263.9991 299.7754 -92.0956 -62.2405 556921.2020 19.3622 19.3760 PRESSURE: 2680800 -213.309 -76.2504 -122.637 -76.2507 -9.84694 33.795 -122.637 33.7954 -186.338 GPRESSURE: 2680800 -193.357 -58.0359 13.8303 -71.1153 81.0939 96.2841 -138.971 23.4871 -186.081 PRESSAVG: 2680800 10.485 -25.9471 -24.7649 -25.9471 67.0557 45.4895 -24.765 45.4895 -28.482 GPRESSAVG: 2680800 11.3063 -25.6077 -24.1267 -27.3301 68.108 46.0464 -22.9413 46.0729 -29.4294 TIMING: 2680800 CPU: 7768.7, 0.00287787/step Wall: 7768.7, 0.00287787/step, 1.85399 hours remaining, 209.609375 MB of memory in use. ENERGY: 2680800 710.3466 2156.9512 1972.4919 108.7102 -206306.2005 17689.1156 0.0000 0.0000 34200.4846 -149468.1003 298.6813 -183668.5849 -149369.1167 298.1972 -136.4981 -99.4481 557600.8561 16.3529 16.6616 PRESSURE: 2681000 -256.817 164.451 -143.38 164.451 -70.8731 34.1845 -143.38 34.1836 -174.97 GPRESSURE: 2681000 -268.725 169.036 -176.296 212.555 1.52087 19.1412 -100.999 -4.34056 -133.245 PRESSAVG: 2681000 35.672 46.1037 -33.8916 46.1037 -10.6301 -54.2082 -33.8915 -54.2083 -0.954836 GPRESSAVG: 2681000 35.6037 47.5036 -35.0084 46.6399 -10.8122 -55.5661 -33.6682 -54.6473 -0.754901 TIMING: 2681000 CPU: 7769.28, 0.00289042/step Wall: 7769.28, 0.00289042/step, 1.86191 hours remaining, 209.609375 MB of memory in use. ENERGY: 2681000 735.0024 2087.0574 1947.6232 120.0311 -206292.3440 17722.8545 0.0000 0.0000 34249.3526 -149430.4229 299.1081 -183679.7755 -149325.1516 298.6099 -167.5533 -133.4830 558221.9188 8.0290 8.0122 PRESSURE: 2681200 36.1663 1.58323 54.1688 1.58373 127.46 179.298 54.1691 179.298 34.3665 GPRESSURE: 2681200 2.80294 -25.9469 62.1425 -1.14287 207.784 204.379 -7.81049 147.481 81.1984 PRESSAVG: 2681200 -36.9362 -16.2064 -25.7061 -16.2065 31.5811 -11.7744 -25.706 -11.7743 45.8355 GPRESSAVG: 2681200 -36.7937 -17.085 -25.593 -16.9724 31.1603 -8.99034 -26.7882 -12.412 45.7008 TIMING: 2681200 CPU: 7769.85, 0.00288576/step Wall: 7769.85, 0.00288576/step, 1.85875 hours remaining, 209.609375 MB of memory in use. ENERGY: 2681200 702.8819 2100.5436 1965.0579 124.7656 -205991.6660 17608.8013 0.0000 0.0000 34265.7921 -149223.8235 299.2517 -183489.6156 -149128.3931 299.0896 65.9976 97.2618 557072.0198 13.4935 13.3558 PRESSURE: 2681400 -54.2253 -116.996 -121.735 -116.996 -110.726 -7.75354 -121.737 -7.75419 -184.742 GPRESSURE: 2681400 38.5124 -137.67 -86.1009 -146.23 -134.149 -65.5792 -135.016 -52.6581 -154.997 PRESSAVG: 2681400 -0.783513 -15.9284 -86.9254 -15.9284 -0.0964079 -21.4433 -86.9254 -21.4434 15.2057 GPRESSAVG: 2681400 -0.00952148 -16.2392 -86.6252 -16.8095 -2.4023 -22.7105 -86.9413 -21.3909 16.3934 TIMING: 2681400 CPU: 7770.43, 0.00290004/step Wall: 7770.43, 0.00290004/step, 1.86779 hours remaining, 209.609375 MB of memory in use. ENERGY: 2681400 753.1462 2056.1238 1952.8834 117.8449 -206058.4721 17507.5686 0.0000 0.0000 34501.4453 -149169.4600 301.3097 -183670.9053 -149073.9748 299.2240 -116.5642 -83.5445 557686.8622 4.7753 4.6605 PRESSURE: 2681600 -115.872 11.9633 28.807 11.9632 20.262 64.3583 28.8072 64.3598 112.379 GPRESSURE: 2681600 -94.1637 -97.7956 48.8263 99.3935 30.0833 40.3346 11.0633 137.995 171.487 PRESSAVG: 2681600 -1.39911 -40.6415 -13.5874 -40.6415 -11.7954 -61.7185 -13.5874 -61.7184 -9.00071 GPRESSAVG: 2681600 -2.04624 -39.5702 -9.91895 -38.5961 -11.7324 -61.5182 -15.1489 -60.0155 -8.65833 TIMING: 2681600 CPU: 7771.01, 0.00288446/step Wall: 7771.01, 0.00288446/step, 1.85759 hours remaining, 209.609375 MB of memory in use. ENERGY: 2681600 747.8548 2070.9602 1930.1647 120.8438 -205989.6552 17851.5914 0.0000 0.0000 34228.2603 -149039.9800 298.9239 -183268.2403 -148942.0372 299.3540 5.5896 35.8021 557751.9720 -7.3984 -7.4790 PRESSURE: 2681800 67.6501 18.2194 58.1682 18.2202 71.3686 -136.887 58.1682 -136.886 182.889 GPRESSURE: 2681800 124.798 -47.6335 -23.8084 99.1818 86.3134 -113.677 66.1384 -105.855 212.432 PRESSAVG: 2681800 57.6745 -2.42295 9.67038 -2.42301 -38.5205 -17.5667 9.67035 -17.5667 27.885 GPRESSAVG: 2681800 57.6779 -3.27638 6.72973 -2.67599 -37.5272 -18.6639 10.6696 -18.4865 27.3923 TIMING: 2681800 CPU: 7771.59, 0.0029179/step Wall: 7771.59, 0.0029179/step, 1.87897 hours remaining, 209.675781 MB of memory in use. ENERGY: 2681800 719.1153 2099.6800 1968.7041 106.1674 -206151.1695 17713.5756 0.0000 0.0000 34439.5970 -149104.3301 300.7696 -183543.9271 -149009.2476 299.6913 107.3027 141.1812 557196.1035 15.6796 15.8477 PRESSURE: 2682000 -40.9671 -212.559 67.8234 -212.56 56.7091 -10.9693 67.8225 -10.9688 -3.41329 GPRESSURE: 2682000 -20.1592 -234.407 184.18 -171.434 91.9918 -29.5045 -17.7206 44.6798 51.0328 PRESSAVG: 2682000 10.6354 -5.50663 -23.8805 -5.50666 -1.03082 -24.5704 -23.8804 -24.5705 -7.46447 GPRESSAVG: 2682000 11.3248 -6.61417 -25.6371 -6.02211 -2.10176 -25.3423 -23.5468 -23.8544 -6.84488 TIMING: 2682000 CPU: 7772.17, 0.0029066/step Wall: 7772.17, 0.0029066/step, 1.87153 hours remaining, 209.675781 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: 2682000 728.0854 2093.6125 1965.0316 104.1936 -206053.2429 17848.3837 0.0000 0.0000 34109.5785 -149204.3577 297.8874 -183313.9361 -149109.8132 299.2680 4.1096 40.9551 556684.6110 0.7134 0.7927 PRESSURE: 2682200 264.491 30.6716 159.162 30.6718 -7.72015 53.3331 159.162 53.3343 43.2864 GPRESSURE: 2682200 284.596 45.0628 124.326 -18.3284 22.6357 90.9773 133.131 56.8325 79.7965 PRESSAVG: 2682200 -11.0071 1.82434 3.02014 1.82446 -17.0167 27.5538 3.02008 27.5538 14.3384 GPRESSAVG: 2682200 -11.0629 2.44578 5.61447 2.16055 -16.5418 29.4906 2.12561 25.7564 13.9523 TIMING: 2682200 CPU: 7772.75, 0.00288891/step Wall: 7772.75, 0.00288891/step, 1.85998 hours remaining, 209.675781 MB of memory in use. ENERGY: 2682200 728.6585 2158.9217 1969.9847 107.5955 -206236.8934 18035.9646 0.0000 0.0000 34133.5035 -149102.2648 298.0964 -183235.7684 -149007.9909 300.0050 100.0192 129.0093 556623.1584 -4.5618 -4.5508 PRESSURE: 2682400 -221.69 -17.4548 27.2818 -17.4537 -209.138 142.356 27.2826 142.356 98.5078 GPRESSURE: 2682400 -190.898 39.2639 -35.3163 -82.7036 -160.782 174.951 49.8131 105.882 110.846 PRESSAVG: 2682400 -4.43229 18.509 -7.61308 18.509 -20.7647 -4.71154 -7.61307 -4.71172 42.4206 GPRESSAVG: 2682400 -6.37599 17.3401 -8.84563 19.9759 -19.8108 -4.74741 -6.76304 -6.39692 43.0512 TIMING: 2682400 CPU: 7773.33, 0.00288481/step Wall: 7773.33, 0.00288481/step, 1.85717 hours remaining, 209.675781 MB of memory in use. ENERGY: 2682400 780.9361 2097.3949 1946.4990 122.9509 -206243.2383 17886.9590 0.0000 0.0000 34417.8708 -148990.6278 300.5798 -183408.4985 -148899.1788 300.1317 -110.7732 -80.2776 557680.2937 5.7412 5.6215 PRESSURE: 2682600 100.356 -135.886 87.9529 -135.885 -4.75983 8.69594 87.9532 8.69814 197.548 GPRESSURE: 2682600 114.071 -154.314 140.739 -166.042 45.0105 12.7836 82.8798 -15.6847 239.241 PRESSAVG: 2682600 -2.32068 13.6809 12.2583 13.6809 -24.1005 2.47231 12.2582 2.47236 59.1277 GPRESSAVG: 2682600 -1.03411 15.476 15.0654 11.6205 -25.1405 0.417773 11.9895 5.98509 58.5013 TIMING: 2682600 CPU: 7773.91, 0.0028922/step Wall: 7773.91, 0.0028922/step, 1.86178 hours remaining, 209.675781 MB of memory in use. ENERGY: 2682600 741.4182 2115.6213 1949.2480 116.1485 -206196.2864 18030.5916 0.0000 0.0000 34284.9465 -148958.3122 299.4190 -183243.2587 -148866.4859 300.0869 97.7149 132.7742 557442.4272 10.9022 10.7755 PRESSURE: 2682800 64.5197 78.3347 15.862 78.3338 202.668 -30.8287 15.8617 -30.8291 110.192 GPRESSURE: 2682800 116.559 56.8079 -47.7202 122.281 270.842 -7.57086 70.9651 49.6278 90.2711 PRESSAVG: 2682800 -62.5549 -5.73262 37.344 -5.73253 6.06022 13.1582 37.344 13.1582 34.9564 GPRESSAVG: 2682800 -63.804 -5.38501 34.7282 -5.56231 6.42629 14.5354 37.6731 12.4129 35.2858 TIMING: 2682800 CPU: 7774.48, 0.00287246/step Wall: 7774.48, 0.00287246/step, 1.8489 hours remaining, 209.675781 MB of memory in use. ENERGY: 2682800 726.8579 2124.7510 1971.1442 125.5970 -206253.6158 17879.6903 0.0000 0.0000 34503.7240 -148921.8514 301.3296 -183425.5754 -148824.4174 300.0442 125.7935 159.2240 557550.4606 -7.1794 -7.3640 PRESSURE: 2683000 -226.759 80.9616 68.4501 80.9612 45.082 236.48 68.4487 236.479 83.5742 GPRESSURE: 2683000 -143.651 87.3236 89.0572 115.97 77.6096 111.886 123.969 203.824 56.3964 PRESSAVG: 2683000 -35.2682 -31.8349 -39.1387 -31.8349 -9.95371 -21.7532 -39.1386 -21.7534 52.319 GPRESSAVG: 2683000 -34.1221 -29.9629 -35.5932 -33.1942 -10.2201 -21.6947 -41.4686 -22.448 50.8114 TIMING: 2683000 CPU: 7775.06, 0.00287466/step Wall: 7775.06, 0.00287466/step, 1.85016 hours remaining, 209.675781 MB of memory in use. ENERGY: 2683000 762.5224 2064.2875 1963.2737 112.2268 -205936.7911 17637.2779 0.0000 0.0000 34303.7314 -149093.4714 299.5830 -183397.2028 -148997.5541 300.1024 -32.7010 -3.2149 557130.2544 2.3657 2.1564 PRESSURE: 2683200 -123.551 -51.546 107.522 -51.5457 -299.303 46.5344 107.521 46.5336 -7.78807 GPRESSURE: 2683200 -83.2639 -63.4907 55.8178 -115.58 -274.125 36.4936 13.0183 -14.2075 17.8601 PRESSAVG: 2683200 -9.65338 -3.54324 17.9744 -3.54315 -19.4972 -87.6742 17.9744 -87.6744 34.5119 GPRESSAVG: 2683200 -10.2595 -4.73809 17.058 -0.0155084 -19.7377 -88.6044 19.4538 -88.9376 34.4265 TIMING: 2683200 CPU: 7775.64, 0.00289074/step Wall: 7775.64, 0.00289074/step, 1.86035 hours remaining, 209.675781 MB of memory in use. ENERGY: 2683200 775.2014 2103.4722 1982.5477 120.4489 -206241.9614 17783.0238 0.0000 0.0000 34224.8316 -149252.4358 298.8940 -183477.2673 -149156.3307 299.4272 -143.5474 -113.1763 558067.3992 1.7871 1.4764 PRESSURE: 2683400 266.819 -77.5851 -2.9051 -77.5828 176.521 -14.7542 -2.90626 -14.7547 -9.17852 GPRESSURE: 2683400 312.11 -81.1727 -64.2659 -24.9656 210.304 53.7574 106.373 -16.3182 8.3005 PRESSAVG: 2683400 6.76664 -19.745 0.664555 -19.7449 -19.4571 -21.5975 0.664524 -21.5975 -2.16082 GPRESSAVG: 2683400 5.98475 -22.2832 0.538426 -21.3022 -19.0166 -21.5792 1.68136 -19.8857 -1.71085 TIMING: 2683400 CPU: 7776.21, 0.00289629/step Wall: 7776.21, 0.00289629/step, 1.86376 hours remaining, 209.675781 MB of memory in use. ENERGY: 2683400 741.3160 2120.5535 1962.4870 104.5555 -206344.7206 18009.2389 0.0000 0.0000 34078.8108 -149327.7589 297.6187 -183406.5697 -149230.3198 298.9689 144.7202 176.9045 556761.9936 -4.9504 -4.9142 PRESSURE: 2683600 447.471 74.9913 -119.521 74.9922 61.5887 9.63726 -119.52 9.63678 249.145 GPRESSURE: 2683600 524.839 85.7306 -83.3292 35.2969 92.713 -74.582 -128.416 -50.9902 223.385 PRESSAVG: 2683600 -13.9944 17.6708 35.3361 17.6709 -0.283636 32.6912 35.3362 32.6913 43.7186 GPRESSAVG: 2683600 -14.0074 19.0895 34.6229 17.0627 -0.496143 32.1251 36.6077 31.4952 43.898 TIMING: 2683600 CPU: 7776.8, 0.00290322/step Wall: 7776.8, 0.00290322/step, 1.86806 hours remaining, 209.675781 MB of memory in use. ENERGY: 2683600 733.6281 2151.6656 1943.3780 111.6183 -206577.6219 17962.0113 0.0000 0.0000 34470.5640 -149204.7567 301.0400 -183675.3207 -149107.8176 298.7796 252.7348 280.3124 556597.3764 9.8135 9.7982 PRESSURE: 2683800 -137.881 26.6055 -59.8387 26.6069 36.5525 9.57109 -59.8384 9.57154 125.865 GPRESSURE: 2683800 -75.5922 29.2388 -70.3681 7.74006 17.8332 145.432 -136.509 -12.1156 178.845 PRESSAVG: 2683800 -24.3278 9.2996 -0.380417 9.29956 -32.7109 -7.02429 -0.380502 -7.02422 19.0558 GPRESSAVG: 2683800 -22.2566 10.3334 0.180581 10.3003 -34.3211 -6.50435 -1.47664 -5.79623 18.9044 TIMING: 2683800 CPU: 7777.38, 0.00291504/step Wall: 7777.38, 0.00291504/step, 1.8755 hours remaining, 209.675781 MB of memory in use. ENERGY: 2683800 731.8724 2060.1489 1966.6231 125.2456 -206544.6694 17943.3165 0.0000 0.0000 34487.9018 -149229.5611 301.1914 -183717.4629 -149129.3033 298.7204 8.1788 40.3621 559220.0678 -12.6610 -12.5578 PRESSURE: 2684000 36.2874 2.9588 29.4938 2.95846 -424.616 -53.1495 29.4933 -53.1484 269.877 GPRESSURE: 2684000 41.7276 30.4844 49.6639 29.6812 -377.539 -71.4339 36.3743 -22.1896 314.743 PRESSAVG: 2684000 11.5556 -16.4217 26.0742 -16.4217 -54.2111 20.7367 26.0743 20.7367 42.8279 GPRESSAVG: 2684000 10.9249 -16.4146 25.4804 -18.3173 -53.1238 21.5085 26.8132 19.4834 42.0987 TIMING: 2684000 CPU: 7777.96, 0.0028966/step Wall: 7777.96, 0.0028966/step, 1.86348 hours remaining, 209.675781 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: 2684000 754.8363 2138.3066 1960.7916 109.2756 -206338.1150 17875.9824 0.0000 0.0000 34086.3357 -149412.5869 297.6844 -183498.9226 -149320.3634 298.1981 -39.4838 -7.0227 558111.2747 0.0575 -0.0334 PRESSURE: 2684200 -82.6276 55.4812 -61.2328 55.4794 78.7958 -132.347 -61.2335 -132.347 -141.355 GPRESSURE: 2684200 -55.1384 30.9816 1.02472 133.476 152.405 -67.3233 -67.9691 -160.828 -137.345 PRESSAVG: 2684200 -26.4321 -17.141 -2.55118 -17.141 -34.0004 -13.119 -2.55121 -13.1189 41.0724 GPRESSAVG: 2684200 -28.0778 -17.1336 -0.633456 -18.8335 -33.1195 -12.1251 -5.08644 -13.0612 41.6419 TIMING: 2684200 CPU: 7778.54, 0.0028938/step Wall: 7778.54, 0.0028938/step, 1.86151 hours remaining, 209.675781 MB of memory in use. ENERGY: 2684200 755.7305 2072.9781 1969.6744 123.9326 -206334.3821 17904.0833 0.0000 0.0000 34221.4919 -149286.4913 298.8648 -183507.9832 -149182.7229 298.7309 -48.3957 -13.3593 557898.7467 -6.4534 -6.5185 LDB: ============= START OF LOAD BALANCING ============== 7781.92 LDB: ============== END OF LOAD BALANCING =============== 7781.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7781.93 LDB: ============= START OF LOAD BALANCING ============== 7782.22 LDB: Largest compute 4820 load 0.025943 is 22.0% of average load 0.117921 LDB: Average compute 0.001732 is 1.5% of average load 0.117921 LDB: TIME 7782.22 LOAD: AVG 0.117921 MAX 0.17958 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.898 MB LDB: TIME 7782.22 LOAD: AVG 0.117921 MAX 0.17958 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.898 MB LDB: TIME 7782.22 LOAD: AVG 0.117921 MAX 0.17958 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.898 MB LDB: ============== END OF LOAD BALANCING =============== 7782.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7782.23 PRESSURE: 2684400 -176.783 55.1642 7.04263 55.1628 -0.822663 -42.161 7.04335 -42.1627 75.2142 GPRESSURE: 2684400 -144.085 86.1256 0.864369 55.1337 56.6059 45.4612 36.1542 -115.873 85.38 PRESSAVG: 2684400 59.5758 19.0822 21.1801 19.0822 -50.5944 6.587 21.1801 6.58696 10.8091 GPRESSAVG: 2684400 60.8398 19.0533 18.6468 19.8088 -51.5588 7.24343 23.3643 5.00533 10.5296 TIMING: 2684400 CPU: 7779.13, 0.00297302/step Wall: 7779.13, 0.00297302/step, 1.91231 hours remaining, 209.421875 MB of memory in use. ENERGY: 2684400 749.0005 2110.1626 1966.1175 116.0529 -206017.8952 17678.1879 0.0000 0.0000 34163.0370 -149235.3368 298.3543 -183398.3738 -149144.1206 299.3619 -34.1304 -0.6998 556576.7920 6.5968 6.6035 PRESSURE: 2684600 -44.6326 59.0212 134.883 59.022 20.4606 -96.7637 134.883 -96.7639 204.875 GPRESSURE: 2684600 -47.0988 98.5621 144.899 108.051 63.9958 -146.976 37.4667 -112.312 255.149 PRESSAVG: 2684600 64.0197 -16.8077 -24.3652 -16.8076 -27.7285 11.2387 -24.3652 11.2388 -30.7372 GPRESSAVG: 2684600 63.3274 -18.5243 -22.6964 -17.2826 -26.9595 10.1472 -26.9516 13.9471 -31.1256 TIMING: 2684600 CPU: 7779.72, 0.00293654/step Wall: 7779.72, 0.00293654/step, 1.88869 hours remaining, 209.664062 MB of memory in use. ENERGY: 2684600 751.0517 2109.7217 1932.0367 110.0470 -205919.4350 17575.4101 0.0000 0.0000 34197.8432 -149243.3246 298.6583 -183441.1678 -149153.8861 299.8724 60.2342 90.6818 556073.6619 1.8514 1.7474 PRESSURE: 2684800 -82.9529 99.4921 -78.5762 99.492 -268.173 -179.74 -78.576 -179.741 -97.2198 GPRESSURE: 2684800 -60.7571 119.762 -109.705 28.2287 -267.204 -219.141 -35.3623 -183.765 -24.8561 PRESSAVG: 2684800 76.4664 2.49712 41.5971 2.49705 -56.4258 -61.0598 41.5969 -61.0598 17.0572 GPRESSAVG: 2684800 75.7662 3.76741 40.7514 2.81404 -55.5892 -62.3792 44.2826 -61.6846 17.4702 TIMING: 2684800 CPU: 7780.3, 0.00291073/step Wall: 7780.3, 0.00291073/step, 1.87192 hours remaining, 209.664062 MB of memory in use. ENERGY: 2684800 755.2449 2115.4983 1932.5352 113.8369 -205816.0830 17457.2052 0.0000 0.0000 34281.5337 -149160.2289 299.3892 -183441.7626 -149064.4697 299.3932 -149.4486 -117.6056 557156.3215 12.3659 12.5491 PRESSURE: 2685000 -47.4835 -67.816 95.9225 -67.8155 0.407836 151.46 95.9218 151.459 82.1921 GPRESSURE: 2685000 -28.4695 -185.882 36.6789 1.01926 26.5459 149.033 64.1079 163.491 137.817 PRESSAVG: 2685000 38.7911 0.285661 -21.3438 0.285639 -71.7299 24.4685 -21.3437 24.4685 -18.0679 GPRESSAVG: 2685000 40.6267 -2.11497 -21.3638 0.825609 -73.4126 23.9126 -22.4851 24.5847 -18.1141 TIMING: 2685000 CPU: 7780.88, 0.00290018/step Wall: 7780.88, 0.00290018/step, 1.86498 hours remaining, 209.664062 MB of memory in use. ENERGY: 2685000 780.9204 2117.7492 1953.5177 119.4693 -206229.6936 17930.2393 0.0000 0.0000 34252.6358 -149075.1620 299.1368 -183327.7978 -148977.5668 299.6292 11.7055 45.2977 558179.2136 -17.0022 -16.9667 PRESSURE: 2685200 195.436 48.706 37.687 48.705 -197.18 254.479 37.6863 254.481 -316.48 GPRESSURE: 2685200 208.055 63.7494 38.2919 36.0572 -143.767 325.235 -71.956 259.448 -283.022 PRESSAVG: 2685200 -17.5415 16.6486 -21.5994 16.6486 53.2499 53.4153 -21.5993 53.4152 -28.7668 GPRESSAVG: 2685200 -19.0788 17.5947 -21.2493 15.3257 53.9167 54.7114 -21.8854 51.6238 -28.0609 TIMING: 2685200 CPU: 7781.47, 0.00292365/step Wall: 7781.47, 0.00292365/step, 1.87991 hours remaining, 209.664062 MB of memory in use. ENERGY: 2685200 735.4665 2115.3802 1949.5876 116.6538 -206307.3258 17784.1134 0.0000 0.0000 34388.6797 -149217.4446 300.3249 -183606.1243 -149121.0353 299.3154 -106.0747 -72.9110 557189.7717 2.3139 2.2590 PRESSURE: 2685400 49.2846 19.3243 35.9797 19.3241 -12.6297 128.251 35.9792 128.251 18.6878 GPRESSURE: 2685400 76.2427 29.9662 39.7609 88.1395 40.7118 182.635 -27.2872 71.9504 42.972 PRESSAVG: 2685400 29.122 16.3463 40.0469 16.3464 -20.7811 57.8153 40.0468 57.8152 -26.3124 GPRESSAVG: 2685400 29.7901 16.8892 40.8536 16.806 -20.9653 57.5931 41.734 59.3076 -26.8397 TIMING: 2685400 CPU: 7782.05, 0.00291695/step Wall: 7782.05, 0.00291695/step, 1.87544 hours remaining, 209.664062 MB of memory in use. ENERGY: 2685400 753.7793 2119.5172 1921.3203 111.7645 -206706.8888 17976.5066 0.0000 0.0000 34299.5872 -149524.4137 299.5468 -183824.0009 -149431.3496 298.7551 18.4476 53.3088 556406.3681 -5.9905 -6.0050 PRESSURE: 2685600 -117.109 162.23 -11.9861 162.23 -160.562 -35.2485 -11.9847 -35.2494 139.392 GPRESSURE: 2685600 -49.2426 104.441 -50.5578 255.001 -111.96 15.1793 -51.2249 -56.0471 121.84 PRESSAVG: 2685600 22.4686 29.8771 37.1649 29.8772 16.4683 -27.311 37.1648 -27.311 -16.4475 GPRESSAVG: 2685600 23.1238 30.0331 36.7511 31.5742 15.4181 -27.2603 35.3732 -27.5442 -16.2486 TIMING: 2685600 CPU: 7782.63, 0.00290344/step Wall: 7782.63, 0.00290344/step, 1.86659 hours remaining, 209.664062 MB of memory in use. ENERGY: 2685600 716.6511 2124.3772 1954.8147 110.5624 -206269.4852 17754.4073 0.0000 0.0000 34102.3287 -149506.3437 297.8241 -183608.6724 -149413.7967 298.4415 -46.0931 -13.1207 558128.7614 7.4964 7.4311 PRESSURE: 2685800 5.63019 -49.0781 33.673 -49.0775 -25.3679 -83.5818 33.6727 -83.5817 -102.573 GPRESSURE: 2685800 37.7703 -15.0895 53.2705 -26.2389 -34.3895 -5.32165 -14.3437 -177.308 -44.5815 PRESSAVG: 2685800 -20.8975 4.50927 -39.0032 4.50935 13.389 -47.3774 -39.0032 -47.3775 52.6821 GPRESSAVG: 2685800 -22.1796 5.3299 -38.4123 2.88538 13.6056 -48.3155 -37.7799 -47.2579 53.1139 TIMING: 2685800 CPU: 7783.21, 0.00288078/step Wall: 7783.21, 0.00288078/step, 1.85186 hours remaining, 209.664062 MB of memory in use. ENERGY: 2685800 740.3289 2102.4648 1969.0399 119.9331 -206583.9707 17931.0764 0.0000 0.0000 34184.5377 -149536.5898 298.5421 -183721.1276 -149444.2438 298.5224 -40.7703 -13.7336 558369.9483 15.0579 14.8467 PRESSURE: 2686000 175.63 3.11964 -22.1445 3.11983 -324.3 156.55 -22.1449 156.551 50.642 GPRESSURE: 2686000 226.47 -26.0086 37.9461 57.0893 -277.236 151.036 -27.3177 117.237 60.5057 PRESSAVG: 2686000 22.6955 25.2335 -24.4221 25.2335 -40.0052 48.4523 -24.4222 48.4523 -17.7714 GPRESSAVG: 2686000 21.9647 24.2002 -24.2441 27.7928 -39.5831 52.2522 -24.7676 46.3396 -17.973 TIMING: 2686000 CPU: 7783.78, 0.00289523/step Wall: 7783.78, 0.00289523/step, 1.86099 hours remaining, 209.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2686000 774.6928 2070.6381 1977.3290 111.3610 -206650.0294 17921.0379 0.0000 0.0000 34114.6732 -149680.2974 297.9319 -183794.9706 -149591.1995 298.3031 -32.6759 3.2466 557660.8464 -11.6937 -11.8638 PRESSURE: 2686200 58.1943 176.626 -38.9697 176.625 -166.451 -99.9152 -38.9694 -99.9143 -39.1471 GPRESSURE: 2686200 82.8893 133.148 -45.3671 130.382 -145.451 -103.782 -34.0529 -68.2775 15.2364 PRESSAVG: 2686200 36.8759 32.3883 -45.5267 32.3883 -73.8188 45.4777 -45.5267 45.4777 24.9036 GPRESSAVG: 2686200 37.7431 33.106 -46.0809 28.5101 -74.8979 44.1247 -43.9073 46.0442 25.2816 TIMING: 2686200 CPU: 7784.37, 0.00290936/step Wall: 7784.37, 0.00290936/step, 1.86991 hours remaining, 209.718750 MB of memory in use. ENERGY: 2686200 703.8887 2008.9628 1932.4346 109.2125 -206650.6892 17974.9908 0.0000 0.0000 34129.8847 -149791.3149 298.0648 -183921.1996 -149691.8960 297.1692 -49.1344 -15.7752 558422.9633 -4.0131 -3.9577 PRESSURE: 2686400 -4.2618 -28.4208 -127.653 -28.422 -316.648 -145.289 -127.653 -145.29 256.803 GPRESSURE: 2686400 88.966 -39.6689 -79.0673 16.7958 -279.712 -98.8461 -161.518 -142.759 218.171 PRESSAVG: 2686400 18.4596 21.7469 -45.4381 21.7469 8.7318 -29.2188 -45.4381 -29.2187 -41.4959 GPRESSAVG: 2686400 16.2956 21.0424 -44.1916 25.8518 9.39399 -30.0181 -47.2295 -27.7409 -39.7042 TIMING: 2686400 CPU: 7784.95, 0.00292183/step Wall: 7784.95, 0.00292183/step, 1.87776 hours remaining, 209.718750 MB of memory in use. ENERGY: 2686400 723.7680 2042.6424 1932.9279 112.8097 -206357.8621 17757.2519 0.0000 0.0000 34152.4445 -149636.0177 298.2618 -183788.4621 -149536.4630 297.0785 -21.3689 9.1414 557109.7966 -4.7682 -4.6715 PRESSURE: 2686600 -134.219 60.814 -0.50442 60.8142 -223.687 222.614 -0.50404 222.616 -230.02 GPRESSURE: 2686600 -130.989 -14.8081 -38.4124 170.137 -197.59 200.01 22.0497 151.311 -170.861 PRESSAVG: 2686600 -34.9592 -11.7626 -16.1408 -11.7626 -2.28899 0.638079 -16.1408 0.638041 33.0866 GPRESSAVG: 2686600 -33.6538 -10.9506 -17.8773 -13.6363 -1.56276 -1.47132 -17.0758 1.87371 31.2231 TIMING: 2686600 CPU: 7785.53, 0.00290223/step Wall: 7785.53, 0.00290223/step, 1.865 hours remaining, 209.718750 MB of memory in use. ENERGY: 2686600 710.8872 2071.1560 1981.9802 123.5183 -206034.0010 17484.8291 0.0000 0.0000 34154.3037 -149507.3265 298.2780 -183661.6303 -149415.5532 298.0443 -195.9752 -166.4802 556246.1322 -1.3872 -1.3312 PRESSURE: 2686800 -30.3127 -106.369 84.6126 -106.368 -159.927 23.2658 84.6122 23.2664 142.904 GPRESSURE: 2686800 7.74364 -173.005 -34.1204 -51.8131 -151.542 -41.7903 162.399 -18.9125 201.169 PRESSAVG: 2686800 -24.6576 -0.843591 24.4352 -0.843654 4.64352 -12.9859 24.4352 -12.9859 71.3321 GPRESSAVG: 2686800 -24.3945 -1.69645 25.7527 -1.59555 4.78069 -13.2642 25.3966 -13.5802 71.0904 TIMING: 2686800 CPU: 7786.12, 0.00292997/step Wall: 7786.12, 0.00292997/step, 1.88267 hours remaining, 209.718750 MB of memory in use. ENERGY: 2686800 722.4158 2103.3966 1920.0091 91.5126 -206703.7351 18036.5237 0.0000 0.0000 34369.1908 -149460.6865 300.1547 -183829.8773 -149361.8672 298.6877 -15.7786 19.1235 558027.6142 17.1060 17.1589 PRESSURE: 2687000 -41.0463 -68.861 93.9444 -68.8609 -73.6633 -22.0232 93.9439 -22.024 -74.0681 GPRESSURE: 2687000 -15.0259 -209.858 113.733 -52.741 -1.52527 8.23862 93.1694 -93.904 -70.5165 PRESSAVG: 2687000 -20.7813 40.2288 -13.0268 40.2289 -65.3298 12.9817 -13.0269 12.9816 50.9105 GPRESSAVG: 2687000 -21.2699 40.773 -13.8383 39.2694 -65.8979 13.3372 -13.4101 12.176 52.5511 TIMING: 2687000 CPU: 7786.7, 0.00290148/step Wall: 7786.7, 0.00290148/step, 1.8642 hours remaining, 209.718750 MB of memory in use. ENERGY: 2687000 719.2483 2049.7875 1935.4708 111.6875 -206174.7793 17846.2597 0.0000 0.0000 34160.0314 -149352.2940 298.3281 -183512.3255 -149259.1082 298.4179 -62.9259 -29.0226 558230.2315 -11.7335 -11.5389 PRESSURE: 2687200 139.484 -19.1608 9.9458 -19.1621 -41.3405 -2.11556 9.94607 -2.11666 102.299 GPRESSURE: 2687200 213.785 -38.3937 -21.9059 -36.2083 -66.4686 -52.2339 42.7725 6.35605 154.372 PRESSAVG: 2687200 33.685 -35.2167 47.098 -35.2168 -78.6202 -53.4307 47.0978 -53.4306 66.555 GPRESSAVG: 2687200 35.4229 -35.0585 47.1094 -34.2592 -79.2423 -51.0395 47.4557 -56.0113 65.3421 TIMING: 2687200 CPU: 7787.28, 0.00291886/step Wall: 7787.28, 0.00291886/step, 1.87521 hours remaining, 209.718750 MB of memory in use. ENERGY: 2687200 736.4780 2062.2732 1957.3979 120.9900 -206524.0078 18056.0313 0.0000 0.0000 34225.0865 -149365.7508 298.8962 -183590.8373 -149266.6675 298.8308 66.8138 100.5626 557457.8308 7.2066 7.1742 PRESSURE: 2687400 -174.267 158.334 19.1364 158.334 -159.546 -46.4941 19.1388 -46.4933 57.957 GPRESSURE: 2687400 -140.797 96.3105 8.82778 101.623 -114.984 43.0593 22.0594 -101.671 81.7068 PRESSAVG: 2687400 22.3223 -23.5744 3.84799 -23.5744 -89.9441 1.95588 3.84806 1.95582 56.0688 GPRESSAVG: 2687400 20.9215 -24.5349 3.48374 -20.9313 -89.2824 2.28566 4.3262 3.6121 56.888 TIMING: 2687400 CPU: 7787.86, 0.002897/step Wall: 7787.86, 0.002897/step, 1.861 hours remaining, 209.718750 MB of memory in use. ENERGY: 2687400 716.4920 2096.9405 1944.8825 118.1352 -205765.5553 17459.0361 0.0000 0.0000 34306.2892 -149123.7799 299.6054 -183430.0690 -149035.7541 299.4324 -91.9521 -58.0247 558782.9069 -3.8510 -3.8243 PRESSURE: 2687600 -290.008 -54.7534 25.6693 -54.7533 -101.058 50.6054 25.6699 50.6047 -216.114 GPRESSURE: 2687600 -244.149 -134.827 -5.16857 -89.3704 -69.5057 58.9124 70.52 19.7661 -205.598 PRESSAVG: 2687600 -18.2946 -12.8248 26.9552 -12.8248 -85.4457 -9.03563 26.9551 -9.03559 75.1287 GPRESSAVG: 2687600 -18.0902 -10.8028 26.2037 -15.1047 -85.1831 -10.3122 27.1759 -9.77644 74.3843 TIMING: 2687600 CPU: 7788.44, 0.00290833/step Wall: 7788.44, 0.00290833/step, 1.86812 hours remaining, 209.718750 MB of memory in use. ENERGY: 2687600 733.0266 2075.2419 1940.6591 112.0105 -205560.9443 17455.0454 0.0000 0.0000 34217.0036 -149027.9572 298.8256 -183244.9608 -148926.9966 300.1143 -202.3934 -173.0842 559461.1912 -9.5372 -9.6297 PRESSURE: 2687800 -54.882 38.6386 123.108 38.6386 57.6763 94.4333 123.107 94.434 19.0366 GPRESSURE: 2687800 5.61133 -50.7066 130.272 7.95314 24.5923 91.0252 124.261 54.4626 87.4553 PRESSAVG: 2687800 -48.4137 3.8582 33.609 3.85825 0.405495 12.2274 33.609 12.2275 22.7712 GPRESSAVG: 2687800 -47.5111 3.50718 35.5978 5.37277 -0.117318 11.8292 32.0297 13.1183 21.6495 TIMING: 2687800 CPU: 7789.02, 0.00288852/step Wall: 7789.02, 0.00288852/step, 1.85523 hours remaining, 209.718750 MB of memory in use. ENERGY: 2687800 728.9382 2050.7768 1941.8399 125.7233 -206004.8437 17786.6101 0.0000 0.0000 34355.7542 -149015.2012 300.0373 -183370.9554 -148920.6455 300.7447 7.2769 39.2196 558599.8370 -8.4124 -8.6596 PRESSURE: 2688000 260.558 131.38 -186.985 131.381 -97.6704 29.2865 -186.986 29.2863 36.02 GPRESSURE: 2688000 256.276 100.836 -194.06 5.45014 -50.6518 -10.9266 -170.265 60.6951 92.8968 PRESSAVG: 2688000 39.1533 9.69029 -25.3899 9.69025 -44.7408 106.017 -25.39 106.017 47.8637 GPRESSAVG: 2688000 38.9068 7.95748 -27.4375 8.99776 -45.8027 107.103 -23.0891 104.626 49.1943 TIMING: 2688000 CPU: 7789.6, 0.00289667/step Wall: 7789.6, 0.00289667/step, 1.8603 hours remaining, 209.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2688000 775.6471 2027.6446 1958.9057 125.4009 -206419.1247 18030.0959 0.0000 0.0000 34345.3158 -149156.1148 299.9462 -183501.4305 -149059.0531 299.8285 66.3025 99.5072 557284.2567 14.0921 14.0994 PRESSURE: 2688200 -137.21 -188.686 -35.2696 -188.686 -572.799 76.5076 -35.2684 76.5071 -501.903 GPRESSURE: 2688200 -38.6421 -77.7016 -109.583 -303.549 -580.039 93.1042 56.591 73.4266 -488.316 PRESSAVG: 2688200 54.1684 -61.3584 -30.9219 -61.3584 -101.987 0.962649 -30.9219 0.962563 23.5849 GPRESSAVG: 2688200 54.9833 -59.4085 -30.6964 -62.5951 -101.362 0.56531 -31.7362 4.1099 22.4434 TIMING: 2688200 CPU: 7790.18, 0.00289319/step Wall: 7790.18, 0.00289319/step, 1.85791 hours remaining, 209.718750 MB of memory in use. ENERGY: 2688200 775.0594 2098.4560 1943.9179 121.8917 -205521.8055 17252.8423 0.0000 0.0000 34210.1601 -149119.4780 298.7658 -183329.6381 -149021.8901 299.5840 -403.9708 -368.9992 559099.0173 -8.0780 -7.9783 LDB: ============= START OF LOAD BALANCING ============== 7793.57 LDB: ============== END OF LOAD BALANCING =============== 7793.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7793.57 LDB: ============= START OF LOAD BALANCING ============== 7793.86 LDB: Largest compute 4801 load 0.025176 is 21.3% of average load 0.117926 LDB: Average compute 0.001734 is 1.5% of average load 0.117926 LDB: TIME 7793.86 LOAD: AVG 0.117926 MAX 0.180629 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.91 MB LDB: TIME 7793.86 LOAD: AVG 0.117926 MAX 0.180629 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: TIME 7793.86 LOAD: AVG 0.117926 MAX 0.180629 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7793.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7793.87 PRESSURE: 2688400 -222.36 -109.422 -178.257 -109.421 14.0427 13.6144 -178.257 13.6141 -169.234 GPRESSURE: 2688400 -134.093 -107.903 -151.278 -77.0468 -25.4911 109.736 -198.36 -28.7046 -119.728 PRESSAVG: 2688400 8.38879 -37.9746 -38.2601 -37.9745 -31.7649 19.847 -38.2601 19.847 38.2862 GPRESSAVG: 2688400 8.15689 -36.7385 -39.4982 -38.3472 -32.6444 19.7468 -38.4612 16.0804 39.5498 TIMING: 2688400 CPU: 7790.77, 0.00295941/step Wall: 7790.77, 0.00295941/step, 1.90027 hours remaining, 208.671875 MB of memory in use. ENERGY: 2688400 789.3495 2033.5903 1901.8996 117.1747 -206003.9714 17813.8797 0.0000 0.0000 34301.5542 -149046.5234 299.5640 -183348.0776 -148953.9032 299.6517 -125.8505 -93.1041 558107.9011 4.9701 5.0208 PRESSURE: 2688600 120.167 44.461 59.5071 44.4604 8.97334 104.003 59.5074 104.004 -104.194 GPRESSURE: 2688600 132.563 32.9351 102.193 138.1 72.1762 101.781 34.9108 194.28 -70.6753 PRESSAVG: 2688600 44.883 -20.0238 -13.5963 -20.0237 25.5112 2.12808 -13.5963 2.12816 -37.2337 GPRESSAVG: 2688600 44.0427 -21.6916 -12.8448 -18.5889 27.3143 1.7034 -12.6243 3.45171 -37.6129 TIMING: 2688600 CPU: 7791.35, 0.00290583/step Wall: 7791.35, 0.00290583/step, 1.86571 hours remaining, 208.871094 MB of memory in use. ENERGY: 2688600 729.7715 2074.8784 1926.4802 107.1754 -206052.5900 17715.4638 0.0000 0.0000 34486.1516 -149012.6692 301.1761 -183498.8208 -148918.1066 300.3693 8.3157 44.6879 557369.5949 11.0535 11.2480 PRESSURE: 2688800 -18.6531 -77.5629 101.555 -77.5628 -135.005 34.9075 101.556 34.9081 175.288 GPRESSURE: 2688800 50.2537 -43.9964 38.4643 -105.347 -89.5283 85.8193 75.2318 -92.6917 157.163 PRESSAVG: 2688800 54.1144 -17.8632 61.1365 -17.8632 -16.2485 -18.6114 61.1365 -18.6113 -10.9715 GPRESSAVG: 2688800 53.5108 -16.2613 61.9495 -18.8474 -15.8063 -18.443 61.0238 -18.1656 -10.7498 TIMING: 2688800 CPU: 7791.93, 0.0029152/step Wall: 7791.93, 0.0029152/step, 1.87156 hours remaining, 208.871094 MB of memory in use. ENERGY: 2688800 779.3504 2028.9268 1934.6315 118.2274 -206024.2428 17791.8993 0.0000 0.0000 34190.8142 -149180.3931 298.5969 -183371.2073 -149080.2413 299.8933 7.2100 39.2960 557285.7880 8.9648 8.9849 PRESSURE: 2689000 168.848 -27.5078 -14.5342 -27.5072 279.407 92.0187 -14.5361 92.02 -83.3393 GPRESSURE: 2689000 238.041 -47.1767 -12.0725 -8.70328 254.453 0.627129 -79.1451 101.126 -33.3352 PRESSAVG: 2689000 25.9213 18.908 15.2607 18.908 -30.5324 0.136085 15.2607 0.136219 9.62127 GPRESSAVG: 2689000 26.653 15.6729 14.0223 19.2746 -31.1177 -0.367794 15.1842 1.90871 10.207 TIMING: 2689000 CPU: 7792.52, 0.00292721/step Wall: 7792.52, 0.00292721/step, 1.87911 hours remaining, 208.871094 MB of memory in use. ENERGY: 2689000 715.0656 2114.4464 1939.2676 100.9788 -205790.7632 17747.7805 0.0000 0.0000 34162.8843 -149010.3399 298.3530 -183173.2242 -148915.2681 299.5603 121.6384 153.0531 558591.8669 1.6701 1.9141 PRESSURE: 2689200 -108.115 -47.9609 60.3922 -47.9611 -119.282 -94.579 60.3913 -94.579 -38.0684 GPRESSURE: 2689200 -120.022 -11.0593 -1.84622 -64.7343 -47.3728 -37.3182 32.8832 -185.52 -4.2199 PRESSAVG: 2689200 -32.8641 11.232 14.4398 11.232 -26.4602 7.8399 14.4397 7.8398 50.4324 GPRESSAVG: 2689200 -32.075 12.8127 15.3154 9.30486 -26.5155 6.56265 14.7275 7.18201 49.4237 TIMING: 2689200 CPU: 7793.1, 0.00290374/step Wall: 7793.1, 0.00290374/step, 1.86388 hours remaining, 208.871094 MB of memory in use. ENERGY: 2689200 766.6264 2060.6548 1914.6256 112.0946 -205619.8231 17656.1046 0.0000 0.0000 34216.7464 -148892.9706 298.8234 -183109.7170 -148799.5842 299.5428 -88.4884 -57.2048 557990.1450 -2.9640 -3.0556 PRESSURE: 2689400 -2.10454 102.509 -74.566 102.508 63.4812 68.5074 -74.567 68.508 -235.452 GPRESSURE: 2689400 12.6925 137.454 -73.2412 71.9657 73.2091 57.8362 -104.654 39.8546 -154.073 PRESSAVG: 2689400 -51.3173 26.5053 26.5017 26.5053 17.2629 20.9866 26.5017 20.9867 73.3238 GPRESSAVG: 2689400 -51.7938 26.0118 25.7268 27.5896 17.4331 22.7166 27.0794 19.0021 74.1544 TIMING: 2689400 CPU: 7793.68, 0.00290186/step Wall: 7793.68, 0.00290186/step, 1.86251 hours remaining, 208.871094 MB of memory in use. ENERGY: 2689400 752.3924 2067.3466 1952.1828 112.4842 -205772.7414 17631.2914 0.0000 0.0000 34348.4164 -148908.6276 299.9733 -183257.0440 -148812.5116 299.2975 -58.0250 -22.7239 558564.6966 13.0898 13.2646 PRESSURE: 2689600 -270.122 -128.374 95.0977 -128.375 -40.7011 130.3 95.0982 130.298 274.739 GPRESSURE: 2689600 -235.694 -10.399 37.6799 -117.886 1.91439 174.243 3.5695 58.1728 285.899 PRESSAVG: 2689600 -60.7934 32.5057 -4.8681 32.5056 -30.4242 -15.4476 -4.86817 -15.4475 25.5441 GPRESSAVG: 2689600 -60.1192 32.791 -4.31364 32.4516 -31.1075 -17.3015 -5.18239 -14.1045 24.9145 TIMING: 2689600 CPU: 7794.26, 0.00290532/step Wall: 7794.26, 0.00290532/step, 1.86457 hours remaining, 208.871094 MB of memory in use. ENERGY: 2689600 731.7382 2100.3712 1927.3095 100.1018 -206274.2683 18058.6807 0.0000 0.0000 34446.3545 -148909.7124 300.8286 -183356.0669 -148814.0211 299.5291 -12.0280 17.3730 560004.8286 -21.8911 -22.1041 PRESSURE: 2689800 -17.9359 70.335 157.244 70.3343 72.8382 6.88738 157.244 6.88521 119.806 GPRESSURE: 2689800 42.3581 -31.1538 174.328 114.763 132.901 -11.1723 167.47 -24.7565 99.5204 PRESSAVG: 2689800 58.0917 17.5476 -1.95427 17.5476 -32.4313 -16.5119 -1.95425 -16.512 0.223647 GPRESSAVG: 2689800 57.9785 17.1515 -2.53342 18.1858 -31.6647 -15.3398 -3.05026 -18.1345 -0.718187 TIMING: 2689800 CPU: 7794.84, 0.00289782/step Wall: 7794.84, 0.00289782/step, 1.8596 hours remaining, 208.871094 MB of memory in use. ENERGY: 2689800 729.1071 2047.7763 1963.4562 112.3045 -206067.0075 17849.3382 0.0000 0.0000 34405.9463 -148959.0789 300.4757 -183365.0252 -148863.7245 300.1152 58.2362 91.5931 558156.0329 8.6280 8.5319 PRESSURE: 2690000 99.6734 208.168 -4.74641 208.168 319.175 49.8903 -4.74487 49.8931 82.5755 GPRESSURE: 2690000 120.063 253.924 4.17933 178.822 356.153 77.1898 -12.3024 50.2392 124.01 PRESSAVG: 2690000 23.969 72.9955 48.6088 72.9956 -10.4631 -9.37114 48.6088 -9.37114 0.547173 GPRESSAVG: 2690000 23.2571 75.2504 48.4542 71.8011 -10.5722 -9.30408 50.0515 -9.88295 1.95611 TIMING: 2690000 CPU: 7795.43, 0.00292239/step Wall: 7795.43, 0.00292239/step, 1.8752 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2690000 729.4667 2093.8009 1942.2456 125.3672 -206285.5282 17934.9505 0.0000 0.0000 34418.5756 -149041.1218 300.5860 -183459.6974 -148943.7051 299.7502 167.1415 200.0756 557211.5390 4.6843 4.8803 PRESSURE: 2690200 61.6551 10.4069 -29.6935 10.4056 -93.0341 -215.602 -29.6932 -215.604 -137.044 GPRESSURE: 2690200 156.794 2.44006 72.5583 16.1536 -65.2627 -138.874 -73.8363 -200.517 -148.936 PRESSAVG: 2690200 -6.08348 29.1528 10.3985 29.1528 -4.18274 17.7277 10.3985 17.7277 -40.9688 GPRESSAVG: 2690200 -4.58229 27.0909 11.8011 30.4608 -5.04006 17.2753 8.38864 19.5439 -41.5338 TIMING: 2690200 CPU: 7796.01, 0.00292241/step Wall: 7796.01, 0.00292241/step, 1.87505 hours remaining, 209.074219 MB of memory in use. ENERGY: 2690200 732.7196 2066.2957 1942.1164 106.1206 -206211.1789 17886.8406 0.0000 0.0000 34318.9749 -149158.1111 299.7161 -183477.0860 -149062.8946 299.6002 -56.1411 -19.1347 558719.7044 -17.0783 -17.0520 PRESSURE: 2690400 -219.186 40.6561 -58.3444 40.6565 -191.85 -92.573 -58.3443 -92.574 -88.4015 GPRESSURE: 2690400 -186.269 -28.7902 -69.8389 45.7685 -144.568 -100.613 -4.12761 -46.3821 -77.1198 PRESSAVG: 2690400 12.7915 42.1181 16.15 42.1181 7.33167 27.69 16.1501 27.6899 2.68012 GPRESSAVG: 2690400 11.2865 43.0695 19.7743 41.9489 10.6228 28.2602 15.2226 28.1224 0.822109 TIMING: 2690400 CPU: 7796.6, 0.00293293/step Wall: 7796.6, 0.00293293/step, 1.88164 hours remaining, 209.074219 MB of memory in use. ENERGY: 2690400 739.0282 2132.3907 1918.0991 107.3010 -205899.8458 17649.5873 0.0000 0.0000 34138.5297 -149214.9099 298.1403 -183353.4395 -149117.9866 299.3923 -166.4791 -135.9855 559782.2607 7.6011 7.5771 PRESSURE: 2690600 149.085 132.711 -116.431 132.71 341.151 193.431 -116.432 193.432 -102.997 GPRESSURE: 2690600 182.176 140.197 -57.0199 94.0707 345.521 147.831 -46.5358 194.619 -37.8397 PRESSAVG: 2690600 -2.34329 1.18539 5.91772 1.18536 51.8047 38.7712 5.91769 38.7713 -70.5405 GPRESSAVG: 2690600 -1.90604 1.34456 1.65285 0.741596 49.5635 38.5914 6.09928 37.0651 -68.4253 TIMING: 2690600 CPU: 7797.18, 0.00289839/step Wall: 7797.18, 0.00289838/step, 1.85931 hours remaining, 209.074219 MB of memory in use. ENERGY: 2690600 704.8799 2056.2925 1943.4664 113.3413 -206356.6940 18027.9931 0.0000 0.0000 34117.9101 -149392.8108 297.9602 -183510.7209 -149303.6026 298.1365 129.0794 163.2858 558687.2518 -7.0264 -6.9226 PRESSURE: 2690800 -102.813 -72.0782 -20.614 -72.0782 22.2947 116.173 -20.6151 116.173 -162.814 GPRESSURE: 2690800 -101.935 -94.4462 -16.6037 -17.5103 5.30025 141.737 -52.9118 100.367 -56.849 PRESSAVG: 2690800 2.04802 -2.80418 0.177222 -2.80413 59.8962 -1.32037 0.177259 -1.32037 -52.8708 GPRESSAVG: 2690800 2.86915 -4.71681 -0.607594 -1.73517 59.4728 -1.009 2.74235 -0.619106 -52.9816 TIMING: 2690800 CPU: 7797.76, 0.00289967/step Wall: 7797.76, 0.00289967/step, 1.85998 hours remaining, 209.074219 MB of memory in use. ENERGY: 2690800 745.2002 2053.5442 1936.3889 108.6467 -206286.0548 17790.3338 0.0000 0.0000 34245.6883 -149406.2527 299.0761 -183651.9410 -149319.7975 298.0830 -81.1107 -51.1613 558542.6073 3.0245 3.1201 PRESSURE: 2691000 -65.2283 -167.693 63.4069 -167.692 -315.827 48.5909 63.4064 48.5903 -325.04 GPRESSURE: 2691000 -22.0087 -165.866 45.9838 -95.8999 -280.453 37.8167 105.557 52.7941 -305.917 PRESSAVG: 2691000 64.0505 0.234659 32.0476 0.234625 10.0777 -26.8636 32.0476 -26.8636 -53.3903 GPRESSAVG: 2691000 63.1092 0.664702 33.9765 -0.00389096 11.7328 -25.9368 31.5491 -27.0837 -53.6308 TIMING: 2691000 CPU: 7798.34, 0.00290957/step Wall: 7798.34, 0.00290957/step, 1.86617 hours remaining, 209.074219 MB of memory in use. ENERGY: 2691000 777.8999 1989.9850 1925.4560 113.4292 -205824.2726 17418.6788 0.0000 0.0000 34166.3414 -149432.4823 298.3832 -183598.8237 -149336.3440 298.3708 -235.3653 -202.7929 558545.0688 6.9127 7.0704 PRESSURE: 2691200 -423.826 -20.129 -38.7735 -20.1295 -36.0946 -93.6012 -38.7732 -93.6009 -46.2376 GPRESSURE: 2691200 -363.497 84.2373 47.9502 -39.6065 -25.3391 -49.5821 -38.4617 -90.581 -3.92207 PRESSAVG: 2691200 -44.0036 36.67 -26.4688 36.67 17.5416 77.1964 -26.4689 77.1964 31.9823 GPRESSAVG: 2691200 -43.3314 38.2533 -27.2506 36.1581 16.38 75.8814 -27.9478 77.5707 32.1239 TIMING: 2691200 CPU: 7798.92, 0.00291066/step Wall: 7798.92, 0.00291066/step, 1.8667 hours remaining, 209.074219 MB of memory in use. ENERGY: 2691200 731.0732 2032.2625 1930.5377 108.6756 -205564.4518 17520.3741 0.0000 0.0000 33880.9338 -149360.5949 295.8906 -183241.5287 -149262.7484 297.9296 -168.7194 -130.9194 558716.0287 1.8401 1.7242 PRESSURE: 2691400 -221.281 -174.922 -71.5918 -174.921 -181.906 -19.5771 -71.5914 -19.5757 -75.5776 GPRESSURE: 2691400 -236.021 -149.151 -84.3212 -191.115 -93.5404 -70.5601 0.81374 11.7229 -42.5995 PRESSAVG: 2691400 1.09833 -23.8378 8.08659 -23.8378 -24.3155 -1.46848 8.08657 -1.46861 1.53631 GPRESSAVG: 2691400 1.03155 -23.8141 7.09214 -22.1016 -23.3072 -1.5538 8.27189 -0.845759 0.683084 TIMING: 2691400 CPU: 7799.5, 0.00289283/step Wall: 7799.5, 0.00289283/step, 1.85511 hours remaining, 209.074219 MB of memory in use. ENERGY: 2691400 747.7161 2077.3686 1940.0277 115.5341 -205931.0466 17579.4002 0.0000 0.0000 34029.5572 -149441.4426 297.1886 -183470.9998 -149340.3559 298.8261 -159.5885 -124.0535 558500.1731 -7.2270 -7.1975 PRESSURE: 2691600 67.1883 162.633 103.453 162.633 -100.881 148.25 103.453 148.249 75.9975 GPRESSURE: 2691600 101.629 254.887 82.3443 76.7892 -95.9845 146.255 151.882 202.294 128.623 PRESSAVG: 2691600 -4.23872 48.9385 -82.2755 48.9386 -13.1932 -31.5571 -82.2755 -31.5572 4.18214 GPRESSAVG: 2691600 -5.00635 48.108 -81.6149 48.2806 -15.3773 -31.3032 -79.8075 -32.095 6.26612 TIMING: 2691600 CPU: 7800.08, 0.00289421/step Wall: 7800.08, 0.00289421/step, 1.85583 hours remaining, 209.074219 MB of memory in use. ENERGY: 2691600 717.6318 2049.2675 1956.5518 101.7304 -206120.2128 17808.2752 0.0000 0.0000 34150.7865 -149335.9696 298.2473 -183486.7561 -149245.5457 298.1854 14.1016 44.7559 556541.2631 -4.4166 -4.7059 PRESSURE: 2691800 -27.2372 -91.1971 25.7208 -91.198 -239.546 142.942 25.7209 142.944 -35.1448 GPRESSURE: 2691800 -12.1405 -104.516 56.7154 -121.927 -212.591 191.164 8.66377 96.285 9.68709 PRESSAVG: 2691800 54.842 -3.27608 -21.8115 -3.27608 -29.5122 14.6154 -21.8114 14.6153 -43.1836 GPRESSAVG: 2691800 54.4784 -1.36715 -21.1689 -4.06254 -27.0338 14.198 -22.9508 13.7743 -45.5946 TIMING: 2691800 CPU: 7800.66, 0.00290254/step Wall: 7800.66, 0.00290254/step, 1.86101 hours remaining, 209.074219 MB of memory in use. ENERGY: 2691800 777.1473 2077.5046 1967.4577 119.3712 -206634.8372 17870.4465 0.0000 0.0000 34278.5128 -149544.3972 299.3628 -183822.9100 -149448.7026 298.9082 -100.6427 -71.6816 556803.0279 -5.9513 -6.0500 PRESSURE: 2692000 -230.681 235.84 -99.6269 235.84 12.1677 -26.74 -99.6269 -26.741 -229.756 GPRESSURE: 2692000 -233.562 85.295 31.2066 318.918 97.8137 -69.4843 -193.606 -80.526 -217.245 PRESSAVG: 2692000 -5.22486 -15.9257 -18.0529 -15.9257 -39.9001 -20.2121 -18.053 -20.2121 38.4002 GPRESSAVG: 2692000 -4.25322 -17.7097 -16.8395 -15.6694 -41.1323 -19.2361 -18.3626 -19.9243 38.6577 TIMING: 2692000 CPU: 7801.24, 0.00289667/step Wall: 7801.24, 0.00289667/step, 1.85709 hours remaining, 209.074219 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: 2692000 755.5166 2081.9400 1963.9666 112.7719 -206205.2861 17679.2779 0.0000 0.0000 33996.1202 -149615.6930 296.8966 -183611.8132 -149522.7564 298.5117 -149.4232 -117.6646 557814.6445 -2.2416 -2.2426 PRESSURE: 2692200 -153.634 77.9189 -39.3824 77.9188 -9.17548 21.0029 -39.3821 21.0021 -12.3098 GPRESSURE: 2692200 -142.336 87.1663 -66.4097 140.904 70.9431 16.1813 16.8215 50.037 -14.1722 PRESSAVG: 2692200 -25.7533 41.1275 -83.8593 41.1276 -0.388669 -3.49036 -83.8593 -3.49045 1.85107 GPRESSAVG: 2692200 -26.4303 39.9688 -86.9253 42.6782 0.907794 -3.35478 -83.2924 -3.62896 2.24424 TIMING: 2692200 CPU: 7801.82, 0.00288662/step Wall: 7801.82, 0.00288662/step, 1.85049 hours remaining, 209.074219 MB of memory in use. ENERGY: 2692200 762.9507 2113.8341 1949.6521 117.5662 -206195.8000 17665.5376 0.0000 0.0000 34147.6715 -149438.5878 298.2201 -183586.2593 -149340.4516 297.7705 -58.3731 -28.5218 557105.2829 -8.0970 -7.7594 LDB: ============= START OF LOAD BALANCING ============== 7805.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7805.2 LDB: =============== DONE WITH MIGRATION ================ 7805.2 LDB: ============= START OF LOAD BALANCING ============== 7805.49 LDB: Largest compute 4820 load 0.025535 is 21.6% of average load 0.117977 LDB: Average compute 0.001732 is 1.5% of average load 0.117977 LDB: TIME 7805.49 LOAD: AVG 0.117977 MAX 0.179009 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.934 MB LDB: TIME 7805.49 LOAD: AVG 0.117977 MAX 0.179009 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.004 MB LDB: TIME 7805.49 LOAD: AVG 0.117977 MAX 0.179009 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.004 MB LDB: ============== END OF LOAD BALANCING =============== 7805.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7805.5 PRESSURE: 2692400 -158.35 -86.9085 -119.856 -86.909 189.836 -102.814 -119.858 -102.813 151.886 GPRESSURE: 2692400 -91.2603 -16.3556 -173.662 -128.469 210.735 -38.8618 -84.4059 -114.506 145.27 PRESSAVG: 2692400 14.306 -41.0702 -75.1109 -41.0701 -49.6494 -31.2919 -75.111 -31.2919 62.547 GPRESSAVG: 2692400 14.2592 -39.6391 -74.5442 -43.402 -50.5626 -33.6642 -76.5263 -30.1397 62.7705 TIMING: 2692400 CPU: 7802.4, 0.00294781/step Wall: 7802.4, 0.00294781/step, 1.88955 hours remaining, 210.019531 MB of memory in use. ENERGY: 2692400 743.4245 2094.6693 1964.7202 117.7241 -206465.8481 17992.1947 0.0000 0.0000 34213.1392 -149339.9761 298.7919 -183553.1153 -149238.1045 298.8273 61.1242 88.2483 557316.8292 9.0679 8.8224 PRESSURE: 2692600 -259.76 141.148 151.325 141.147 242.145 -119.198 151.326 -119.197 -220.097 GPRESSURE: 2692600 -256.538 138.304 162.881 130.037 273.589 -130.499 54.0765 -42.6701 -165.546 PRESSAVG: 2692600 -54.5183 -23.254 24.0466 -23.2541 53.9912 -47.2965 24.0467 -47.2965 30.8872 GPRESSAVG: 2692600 -55.3286 -23.5393 25.2135 -22.3771 54.924 -47.4658 24.5695 -45.4218 30.8658 TIMING: 2692600 CPU: 7802.99, 0.00290596/step Wall: 7802.99, 0.00290596/step, 1.86256 hours remaining, 210.019531 MB of memory in use. ENERGY: 2692600 777.0909 2118.8306 1951.5821 107.8727 -206110.0706 17669.5479 0.0000 0.0000 34233.6349 -149251.5115 298.9708 -183485.1464 -149157.9266 298.8709 -79.2376 -49.4984 556971.8667 10.1200 10.1537 PRESSURE: 2692800 415.447 111.31 83.5308 111.31 84.8954 -26.1349 83.5305 -26.1354 174.702 GPRESSURE: 2692800 406.114 111.467 133.587 56.3715 133.408 -29.8557 26.0346 -50.2567 230.038 PRESSAVG: 2692800 11.8579 23.5699 24.5242 23.5699 15.0997 -68.7443 24.5242 -68.7442 -33.6053 GPRESSAVG: 2692800 13.7705 24.173 24.4529 22.4695 13.0365 -66.9262 25.093 -71.3274 -33.4515 TIMING: 2692800 CPU: 7803.57, 0.00290216/step Wall: 7803.57, 0.00290216/step, 1.85996 hours remaining, 210.175781 MB of memory in use. ENERGY: 2692800 745.1675 2048.0452 1986.1234 114.6924 -206849.1966 18341.5090 0.0000 0.0000 34355.2441 -149258.4149 300.0329 -183613.6590 -149161.7877 299.6223 225.0149 256.5201 556849.3346 -2.2159 -2.2148 PRESSURE: 2693000 3.0954 -29.4746 56.2884 -29.4748 64.2093 -221.026 56.2882 -221.026 -69.4057 GPRESSURE: 2693000 24.8029 -2.81565 71.8483 -138.215 111.772 -330.326 22.4125 -198.085 -31.5138 PRESSAVG: 2693000 37.4223 -2.54647 54.6892 -2.54644 46.853 -20.9812 54.6893 -20.9813 -18.3159 GPRESSAVG: 2693000 37.027 -3.28667 53.9101 -0.676458 48.6262 -22.8407 54.3468 -19.699 -19.6953 TIMING: 2693000 CPU: 7804.15, 0.00289937/step Wall: 7804.15, 0.00289937/step, 1.85801 hours remaining, 210.175781 MB of memory in use. ENERGY: 2693000 736.3109 2132.5547 1962.4311 118.0794 -206336.9564 17943.7369 0.0000 0.0000 34209.9115 -149233.9319 298.7637 -183443.8434 -149142.7453 299.1386 -0.7003 35.0205 558531.4974 21.9865 21.9860 PRESSURE: 2693200 -93.3221 31.9735 -42.0135 31.9725 67.4745 -112.987 -42.0135 -112.986 100.37 GPRESSURE: 2693200 -45.8127 52.658 -63.0112 -26.2977 66.2975 -85.5248 -104.371 -78.0411 146.915 PRESSAVG: 2693200 -16.3 -22.5658 7.34026 -22.5657 35.4529 -79.452 7.34036 -79.4519 -70.5588 GPRESSAVG: 2693200 -17.9447 -23.1907 7.26324 -22.9097 36.0725 -78.9313 6.45474 -79.8328 -69.378 TIMING: 2693200 CPU: 7804.73, 0.00292573/step Wall: 7804.73, 0.00292573/step, 1.87474 hours remaining, 210.175781 MB of memory in use. ENERGY: 2693200 764.8643 2093.0103 1938.7142 99.3597 -206133.3767 17861.4749 0.0000 0.0000 34408.7529 -148967.2005 300.5002 -183375.9534 -148869.2089 299.5698 24.8409 55.7998 558450.0398 -17.1353 -17.0834 PRESSURE: 2693400 88.0263 -106.71 -116.36 -106.71 -78.2414 243.886 -116.359 243.885 71.9112 GPRESSURE: 2693400 135.329 -141.698 -42.139 -114.535 17.0964 205.277 -176.101 185.18 29.0705 PRESSAVG: 2693400 -42.8288 -39.9115 1.15779 -39.9116 56.3127 16.7814 1.15781 16.7814 -30.4588 GPRESSAVG: 2693400 -41.3079 -36.8436 3.97148 -41.3001 55.2389 18.0497 -1.00465 17.2835 -30.5356 TIMING: 2693400 CPU: 7805.31, 0.00291622/step Wall: 7805.31, 0.00291622/step, 1.86849 hours remaining, 210.175781 MB of memory in use. ENERGY: 2693400 757.4454 2058.0730 1933.9026 112.6102 -205993.7654 17803.0204 0.0000 0.0000 34255.6758 -149073.0379 299.1633 -183328.7137 -148975.7619 300.3650 27.2320 60.4986 559671.9759 -5.6583 -5.5349 PRESSURE: 2693600 -140.373 -90.5192 -48.1816 -90.5203 -74.8563 -22.8987 -48.182 -22.8968 -131.068 GPRESSURE: 2693600 -113.084 -111.276 17.4018 -55.8045 -89.405 -19.1488 77.2995 56.9957 -40.7834 PRESSAVG: 2693600 3.25054 -53.9305 9.54912 -53.9305 -23.6434 -5.45674 9.54905 -5.45674 9.48946 GPRESSAVG: 2693600 2.29591 -55.3513 7.18874 -53.4201 -22.3082 -7.39673 11.1438 -5.89676 9.23112 TIMING: 2693600 CPU: 7805.9, 0.00290984/step Wall: 7805.9, 0.00290984/step, 1.86424 hours remaining, 210.175781 MB of memory in use. ENERGY: 2693600 728.9809 2123.3830 1941.6595 109.0438 -206019.6198 17657.6053 0.0000 0.0000 34418.2221 -149040.7253 300.5829 -183458.9474 -148938.4605 299.6831 -115.4325 -81.0909 558711.8850 -3.6345 -3.5937 PRESSURE: 2693800 110.898 -24.7439 212.698 -24.7427 -17.4848 -0.118847 212.698 -0.118938 8.23985 GPRESSURE: 2693800 122.501 154.209 167.386 -200.052 42.3455 39.9949 177.906 12.0763 39.0318 PRESSAVG: 2693800 -38.2885 11.4609 -21.8712 11.461 -21.9018 2.10287 -21.8712 2.10295 17.1226 GPRESSAVG: 2693800 -38.6742 10.3834 -22.8011 11.0753 -23.4512 3.30412 -20.5716 1.05857 18.7887 TIMING: 2693800 CPU: 7806.47, 0.00288506/step Wall: 7806.47, 0.00288506/step, 1.8482 hours remaining, 210.175781 MB of memory in use. ENERGY: 2693800 744.1048 2121.1863 1926.3739 120.9880 -206105.7429 18006.1692 0.0000 0.0000 34030.7445 -149156.1763 297.1990 -183186.9208 -149065.1045 298.9915 33.8842 67.9594 559048.2976 -14.3559 -14.4456 PRESSURE: 2694000 78.4008 26.4804 210.213 26.4805 -29.2728 70.3703 210.213 70.3709 -152.705 GPRESSURE: 2694000 130.568 -12.3565 223.48 91.1826 -46.3679 44.8995 192.351 128.783 -98.1355 PRESSAVG: 2694000 -11.5764 22.4903 -1.23287 22.4902 37.16 0.0573168 -1.23287 0.0572959 20.6696 GPRESSAVG: 2694000 -11.0884 22.0786 0.588387 22.0573 37.0359 -1.53942 -2.60776 2.64612 20.606 TIMING: 2694000 CPU: 7807.05, 0.00289944/step Wall: 7807.05, 0.00289944/step, 1.85725 hours remaining, 210.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2694000 738.6450 2084.6555 1935.3523 117.9853 -206186.1574 17877.0230 0.0000 0.0000 34359.4510 -149073.0454 300.0696 -183432.4964 -148973.2370 299.2076 -34.5256 -4.6451 559492.5546 15.4177 15.5178 PRESSURE: 2694200 69.6763 34.4245 78.5249 34.4272 60.6314 12.7266 78.5261 12.7266 100.49 GPRESSURE: 2694200 104.004 51.2187 95.5387 -17.9615 120.271 190.586 142.494 -97.7907 115.515 PRESSAVG: 2694200 -14.8983 -35.8193 -17.483 -35.8194 -55.8234 42.1854 -17.483 42.1854 75.468 GPRESSAVG: 2694200 -14.8732 -33.8555 -18.1118 -37.1491 -55.6746 44.0596 -16.0412 40.2418 75.2032 TIMING: 2694200 CPU: 7807.63, 0.00288219/step Wall: 7807.63, 0.00288219/step, 1.84604 hours remaining, 210.175781 MB of memory in use. ENERGY: 2694200 741.5729 2048.2182 1954.5597 118.3356 -206270.9456 17942.8416 0.0000 0.0000 34356.4379 -149108.9796 300.0433 -183465.4175 -149007.7775 300.0417 76.9327 113.2633 557294.0829 1.5821 1.5518 PRESSURE: 2694400 -37.4723 100.133 105.869 100.133 -154.455 192.226 105.869 192.226 -5.00766 GPRESSURE: 2694400 -49.9626 13.3272 159.272 164.082 -142.749 260.91 44.74 193.861 96.6622 PRESSAVG: 2694400 -24.1115 -23.3495 23.8595 -23.3495 -13.0063 3.19109 23.8596 3.19106 27.2236 GPRESSAVG: 2694400 -25.3337 -25.3152 23.1438 -19.2777 -12.1823 2.92441 24.2231 2.22301 28.3149 TIMING: 2694400 CPU: 7808.21, 0.00288487/step Wall: 7808.21, 0.00288487/step, 1.8476 hours remaining, 210.175781 MB of memory in use. ENERGY: 2694400 745.8544 2050.6608 1964.4398 112.6469 -206378.5413 17838.2766 0.0000 0.0000 34442.6008 -149224.0620 300.7958 -183666.6628 -149130.8751 299.4676 -65.6450 -32.0164 556926.6362 -3.2981 -3.0670 PRESSURE: 2694600 -35.5697 61.9824 -43.6607 61.9819 401.148 49.3296 -43.6605 49.3295 -54.5159 GPRESSURE: 2694600 -2.07119 0.174173 -40.1673 81.1114 401.1 14.7274 -63.2547 64.5908 15.9712 PRESSAVG: 2694600 -33.612 9.88418 27.7596 9.88411 6.12356 39.8982 27.7596 39.8981 12.0327 GPRESSAVG: 2694600 -33.5753 12.241 28.8108 7.9231 5.13721 38.3613 26.7485 41.1843 12.7887 TIMING: 2694600 CPU: 7808.78, 0.00286637/step Wall: 7808.78, 0.00286637/step, 1.83559 hours remaining, 210.175781 MB of memory in use. ENERGY: 2694600 777.7988 2073.7000 1944.5632 119.9687 -206354.1967 17946.7865 0.0000 0.0000 34472.0425 -149019.3371 301.0529 -183491.3795 -148923.2612 300.1181 103.6874 138.3332 557860.5709 -5.1519 -5.2164 PRESSURE: 2694800 -110.099 166.752 81.3186 166.752 76.5786 51.4349 81.3179 51.4355 -24.4984 GPRESSURE: 2694800 -71.2922 241.202 36.5492 100.738 143.714 35.6876 162.499 53.8116 -25.4845 PRESSAVG: 2694800 -6.99417 -10.8667 -4.50326 -10.8667 -3.461 -41.0067 -4.50315 -41.0066 25.4508 GPRESSAVG: 2694800 -5.77814 -13.3501 -4.66383 -10.1422 -2.58133 -38.0884 -4.3109 -40.8731 23.2553 TIMING: 2694800 CPU: 7809.35, 0.00286295/step Wall: 7809.35, 0.00286295/step, 1.83324 hours remaining, 210.175781 MB of memory in use. ENERGY: 2694800 757.2625 2054.0478 1963.9841 112.0625 -206307.1286 17812.3204 0.0000 0.0000 34627.3736 -148980.0777 302.4095 -183607.4513 -148887.7268 300.2895 -19.3395 15.6459 557553.4860 4.9985 4.9653 PRESSURE: 2695000 -235.31 -62.8653 -153.711 -62.8651 -330.534 34.8881 -153.711 34.8902 -135.767 GPRESSURE: 2695000 -231.776 -56.6851 -162.547 -102.574 -261.618 -3.87509 -121.976 32.1253 -114.19 PRESSAVG: 2695000 109.766 40.507 -21.7534 40.5071 -37.8957 -28.9294 -21.7534 -28.9294 -47.543 GPRESSAVG: 2695000 109.006 40.5917 -21.9766 41.2714 -37.734 -31.7508 -22.1782 -28.9593 -46.9366 TIMING: 2695000 CPU: 7809.93, 0.00287395/step Wall: 7809.93, 0.00287395/step, 1.84012 hours remaining, 210.175781 MB of memory in use. ENERGY: 2695000 753.4457 2121.5119 1948.9488 115.7760 -205893.6433 17481.5328 0.0000 0.0000 34580.1187 -148892.3094 301.9968 -183472.4281 -148790.4010 300.0642 -233.8706 -202.5281 559008.3000 8.1092 8.1118 PRESSURE: 2695200 -45.1406 -63.1857 3.29907 -63.1867 62.8656 -4.29975 3.29859 -4.29924 -134.417 GPRESSURE: 2695200 -30.5545 -96.8461 34.1805 19.0121 104.072 -19.4816 75.1058 -29.5684 -95.1224 PRESSAVG: 2695200 -2.89477 -28.7148 -1.81601 -28.7148 -14.3011 18.4635 -1.81597 18.4635 -12.682 GPRESSAVG: 2695200 -2.22118 -27.5087 -0.436122 -31.2681 -14.8071 18.4606 -1.78468 19.8675 -13.0701 TIMING: 2695200 CPU: 7810.5, 0.0028755/step Wall: 7810.5, 0.0028755/step, 1.84096 hours remaining, 210.175781 MB of memory in use. ENERGY: 2695200 740.4840 2031.4986 1944.0554 116.2821 -205832.1911 17729.1386 0.0000 0.0000 34294.8995 -148975.8331 299.5059 -183270.7326 -148875.1126 300.4669 -38.8973 -7.2015 558036.9085 -9.9593 -10.0328 PRESSURE: 2695400 -39.552 88.5626 -45.5206 88.5628 147.638 117.71 -45.5209 117.711 -77.7921 GPRESSURE: 2695400 32.8023 74.8429 -61.7387 95.9528 130.818 47.9117 56.5991 71.7498 -33.6575 PRESSAVG: 2695400 25.935 -32.0326 25.1578 -32.0325 -13.0014 63.1641 25.1578 63.1642 11.7473 GPRESSAVG: 2695400 25.5388 -30.8724 22.7578 -29.2995 -12.7676 63.541 26.4742 60.4364 12.4734 TIMING: 2695400 CPU: 7811.08, 0.00287907/step Wall: 7811.08, 0.00287907/step, 1.84308 hours remaining, 210.175781 MB of memory in use. ENERGY: 2695400 738.1003 2156.4141 1912.4468 113.6826 -205983.3446 17768.3969 0.0000 0.0000 34372.5652 -148921.7388 300.1842 -183294.3040 -148828.7498 300.2305 10.0980 43.3210 558118.0577 8.2270 8.4149 PRESSURE: 2695600 107.153 49.613 69.062 49.6129 -190.275 -57.9774 69.0626 -57.977 121.859 GPRESSURE: 2695600 192.374 70.9286 147.668 8.19637 -137.593 -125.113 -5.69218 -64.0488 81.4725 PRESSAVG: 2695600 35.1472 18.8804 2.91487 18.8804 5.04251 39.8658 2.91489 39.8656 -61.0263 GPRESSAVG: 2695600 35.2471 18.3961 3.79293 16.7992 5.12837 41.1796 0.624184 40.7956 -61.1316 TIMING: 2695600 CPU: 7811.65, 0.00287314/step Wall: 7811.65, 0.00287314/step, 1.83913 hours remaining, 210.175781 MB of memory in use. ENERGY: 2695600 758.4339 2092.1592 1930.7277 121.0891 -205828.8332 17844.6026 0.0000 0.0000 34123.5586 -148958.2621 298.0095 -183081.8207 -148864.9665 299.6926 12.9123 45.4180 558561.7079 -6.9455 -6.9187 PRESSURE: 2695800 44.0932 -60.0552 -50.6476 -60.0544 18.6526 263.569 -50.6463 263.567 19.5234 GPRESSURE: 2695800 89.6424 -171.96 -43.2965 35.1174 23.9142 203.592 -21.923 284.607 85.3681 PRESSAVG: 2695800 5.57963 -15.3762 43.3517 -15.3761 5.92685 36.4009 43.3516 36.4008 5.46932 GPRESSAVG: 2695800 6.3676 -16.7854 40.227 -14.3341 6.05859 35.2705 46.913 35.4926 5.09622 TIMING: 2695800 CPU: 7812.23, 0.00288333/step Wall: 7812.23, 0.00288333/step, 1.84549 hours remaining, 210.175781 MB of memory in use. ENERGY: 2695800 760.3194 2081.5045 1933.6314 111.2406 -206086.9940 17857.0937 0.0000 0.0000 34305.2848 -149037.9196 299.5966 -183343.2044 -148943.0657 299.6146 27.4231 66.3082 558072.5162 5.6586 5.8408 PRESSURE: 2696000 93.1428 -179.573 71.1879 -179.574 -228.478 211.51 71.187 211.509 148.253 GPRESSURE: 2696000 104.921 -140.05 57.4463 -166.793 -169.691 212.777 55.1321 249.618 162.252 PRESSAVG: 2696000 -17.5596 -18.038 -10.7175 -18.0379 -2.31723 33.2151 -10.7175 33.2152 17.8169 GPRESSAVG: 2696000 -16.5476 -16.7707 -8.11033 -18.3371 -2.98402 33.2458 -14.7129 32.9992 17.8893 TIMING: 2696000 CPU: 7812.81, 0.00289335/step Wall: 7812.81, 0.00289335/step, 1.85175 hours remaining, 210.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2696000 745.3030 2077.9759 1948.0912 105.1372 -206030.9643 17761.4727 0.0000 0.0000 34385.4829 -149007.5012 300.2970 -183392.9842 -148918.1321 300.3669 4.3059 32.4939 557020.4951 -0.6867 -0.5474 PRESSURE: 2696200 246.177 -170.873 26.364 -170.873 137.022 -47.8994 26.3637 -47.8984 -1.69779 GPRESSURE: 2696200 270.782 -134.045 40.7021 -102.068 204.824 -142.186 37.8037 -6.6848 5.67282 PRESSAVG: 2696200 25.885 -24.2349 -11.5124 -24.2349 -27.8296 68.4495 -11.5124 68.4496 19.7308 GPRESSAVG: 2696200 24.9449 -23.6583 -9.70684 -24.2792 -26.6653 67.7484 -11.1612 68.8469 20.2606 TIMING: 2696200 CPU: 7813.39, 0.00289316/step Wall: 7813.39, 0.00289317/step, 1.85146 hours remaining, 210.175781 MB of memory in use. ENERGY: 2696200 723.2952 2080.9983 1984.5706 120.4168 -206077.0264 17952.6002 0.0000 0.0000 34116.1846 -149098.9608 297.9451 -183215.1453 -149004.2827 299.5069 127.1669 160.4261 556845.8153 5.9287 6.1801 LDB: ============= START OF LOAD BALANCING ============== 7816.77 LDB: ============== END OF LOAD BALANCING =============== 7816.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7816.77 LDB: ============= START OF LOAD BALANCING ============== 7817.06 LDB: Largest compute 4820 load 0.025219 is 21.4% of average load 0.117934 LDB: Average compute 0.001733 is 1.5% of average load 0.117934 LDB: TIME 7817.06 LOAD: AVG 0.117934 MAX 0.176691 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.207 MB LDB: TIME 7817.07 LOAD: AVG 0.117934 MAX 0.176691 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.41 MB LDB: TIME 7817.07 LOAD: AVG 0.117934 MAX 0.176691 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.41 MB LDB: ============== END OF LOAD BALANCING =============== 7817.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7817.07 PRESSURE: 2696400 -80.9452 -95.0925 -149.866 -95.0922 -78.451 -72.6433 -149.867 -72.6432 -132.848 GPRESSURE: 2696400 -89.3237 -146.98 -177.704 -34.0419 -25.9265 -98.8218 -96.8872 -36.5505 -87.7211 PRESSAVG: 2696400 4.69898 -15.7454 1.15176 -15.7453 55.3011 -17.6704 1.15173 -17.6705 -6.45921 GPRESSAVG: 2696400 5.1724 -15.0222 0.0981797 -14.8432 54.5001 -18.6564 1.88567 -17.1122 -6.62228 TIMING: 2696400 CPU: 7813.98, 0.00294459/step Wall: 7813.98, 0.00294459/step, 1.88421 hours remaining, 207.718750 MB of memory in use. ENERGY: 2696400 722.8479 2138.8526 1960.7454 116.6533 -205745.2569 17612.7695 0.0000 0.0000 34300.3723 -148893.0159 299.5537 -183193.3882 -148794.8517 299.7815 -97.4147 -67.6571 557314.4910 17.8470 17.6834 PRESSURE: 2696600 -195.809 -52.9396 43.6465 -52.9417 -265.973 223.287 43.6462 223.286 -411.914 GPRESSURE: 2696600 -146.735 -19.0226 89.5997 -31.2334 -298.952 258.746 70.6409 216.061 -328.818 PRESSAVG: 2696600 -5.46859 4.97543 -5.62378 4.97539 16.7073 0.822976 -5.62376 0.822999 -50.6525 GPRESSAVG: 2696600 -5.80177 2.70656 -4.58243 2.79781 17.0884 2.08939 -6.67876 1.02664 -50.0056 TIMING: 2696600 CPU: 7814.55, 0.00287481/step Wall: 7814.55, 0.00287481/step, 1.8394 hours remaining, 207.718750 MB of memory in use. ENERGY: 2696600 771.7927 2098.0181 1956.0928 113.3464 -205231.9187 17191.4254 0.0000 0.0000 34307.1989 -148794.0445 299.6133 -183101.2434 -148690.0703 300.7778 -291.2322 -258.1682 558004.8533 -13.1379 -12.9063 PRESSURE: 2696800 56.8366 86.2397 -152.915 86.2414 -79.1718 -86.3303 -152.914 -86.3301 -228.504 GPRESSURE: 2696800 109.059 19.5661 -170.802 73.7103 -45.0675 -208.605 -146.242 -12.3168 -227.787 PRESSAVG: 2696800 6.73891 -41.7938 43.0369 -41.7938 7.83401 51.2231 43.0369 51.2232 -13.4072 GPRESSAVG: 2696800 6.63022 -41.9052 43.1462 -40.6409 8.7061 51.1788 43.0394 50.0781 -14.3103 TIMING: 2696800 CPU: 7815.13, 0.00287445/step Wall: 7815.13, 0.00287445/step, 1.83901 hours remaining, 207.718750 MB of memory in use. ENERGY: 2696800 721.5559 2082.8504 1995.0436 109.3742 -205689.7849 17487.6328 0.0000 0.0000 34471.9337 -148821.3943 301.0520 -183293.3280 -148730.1107 301.1854 -83.6131 -54.5987 557986.2273 0.3886 0.3420 PRESSURE: 2697000 148.521 2.11235 -8.804 2.11118 -147.942 94.8258 -8.80406 94.8243 213.475 GPRESSURE: 2697000 177.299 -65.5065 -101.355 84.019 -99.9701 94.3733 -39.3476 126.486 241.961 PRESSAVG: 2697000 10.0844 7.48297 34.5338 7.48289 59.7264 -65.7005 34.5339 -65.7004 -80.0963 GPRESSAVG: 2697000 9.79736 6.09093 32.3236 8.97216 59.0625 -63.4848 35.9815 -67.8181 -79.1353 TIMING: 2697000 CPU: 7815.7, 0.0028817/step Wall: 7815.7, 0.0028817/step, 1.84349 hours remaining, 207.718750 MB of memory in use. ENERGY: 2697000 711.3476 2093.4309 1952.3071 119.6646 -205879.4884 17678.0016 0.0000 0.0000 34378.4538 -148946.2829 300.2356 -183324.7366 -148856.0626 300.5454 71.3513 106.4301 557249.7621 -3.4285 -3.4251 PRESSURE: 2697200 146.18 -142.532 -83.4677 -142.532 -140.423 -67.1703 -83.4665 -67.1719 68.5827 GPRESSURE: 2697200 193.404 -224.394 -197.426 -80.8129 -106.835 -30.5644 -50.8185 -145.148 82.2205 PRESSAVG: 2697200 -11.3505 -19.163 26.7548 -19.163 62.6983 -22.8787 26.7548 -22.8788 -28.1934 GPRESSAVG: 2697200 -10.9155 -18.3334 26.0016 -19.8272 62.9348 -23.1584 28.19 -22.1946 -29.1132 TIMING: 2697200 CPU: 7816.28, 0.00288787/step Wall: 7816.28, 0.00288787/step, 1.84728 hours remaining, 207.718750 MB of memory in use. ENERGY: 2697200 775.1006 2143.9024 1946.8264 107.2294 -205930.3375 17690.8334 0.0000 0.0000 34351.0002 -148915.4451 299.9958 -183266.4453 -148815.3910 300.2144 24.7799 56.2632 556843.4911 7.7181 7.6354 PRESSURE: 2697400 -62.0932 60.6671 -48.0693 60.6678 -96.0118 -16.9507 -48.0692 -16.9492 -87.2169 GPRESSURE: 2697400 -31.577 102.439 -9.9802 77.3075 -89.4389 -18.8925 -29.8658 30.6006 -28.2473 PRESSAVG: 2697400 25.2042 -62.149 -38.7152 -62.1489 23.3211 -5.3769 -38.7152 -5.37682 -91.5101 GPRESSAVG: 2697400 25.0734 -62.452 -37.4301 -62.1383 22.99 -6.19364 -40.7671 -3.49976 -91.3612 TIMING: 2697400 CPU: 7816.86, 0.00289858/step Wall: 7816.86, 0.00289858/step, 1.85397 hours remaining, 207.738281 MB of memory in use. ENERGY: 2697400 768.5659 2079.0799 1974.7587 112.7450 -205791.3149 17546.9482 0.0000 0.0000 34334.2501 -148974.9671 299.8495 -183309.2172 -148877.3510 299.7406 -81.7740 -49.7544 557685.1985 -14.3283 -14.4326 PRESSURE: 2697600 -79.7746 140.257 -11.7143 140.256 313.814 -16.6221 -11.7143 -16.6232 -69.2437 GPRESSURE: 2697600 -67.097 144.567 -61.7827 98.7255 322.652 -24.2938 82.2592 15.6561 3.74893 PRESSAVG: 2697600 16.4488 -10.0246 -37.5049 -10.0246 9.64461 -11.6357 -37.5048 -11.6358 -28.7924 GPRESSAVG: 2697600 16.4836 -9.14471 -39.4587 -10.5988 8.11359 -11.9344 -36.859 -11.1811 -27.3456 TIMING: 2697600 CPU: 7817.44, 0.00290663/step Wall: 7817.44, 0.00290663/step, 1.85895 hours remaining, 207.738281 MB of memory in use. ENERGY: 2697600 754.9190 2040.6194 1971.9933 112.9694 -206060.2518 17817.8471 0.0000 0.0000 34465.3632 -148896.5403 300.9946 -183361.9035 -148789.5244 299.4554 54.9320 86.4346 556505.3317 -0.8997 -0.9161 PRESSURE: 2697800 -122.707 112.625 153.092 112.624 -329.649 -3.53852 153.092 -3.53939 -78.093 GPRESSURE: 2697800 -39.746 84.5637 158.116 132.778 -286.206 69.1629 193.676 -20.3475 -100.443 PRESSAVG: 2697800 -29.1162 39.6673 -24.9287 39.6673 -4.51817 67.2642 -24.9287 67.2641 34.7862 GPRESSAVG: 2697800 -29.3801 40.1435 -24.0605 40.6274 -3.31778 67.8875 -23.9296 66.8499 33.3697 TIMING: 2697800 CPU: 7818.02, 0.00288421/step Wall: 7818.02, 0.00288421/step, 1.84445 hours remaining, 207.738281 MB of memory in use. ENERGY: 2697800 752.2174 2133.4303 1982.5997 119.3572 -205507.0854 17392.3755 0.0000 0.0000 34286.0391 -148841.0663 299.4285 -183127.1054 -148748.3384 300.4563 -176.8163 -142.1315 557576.8979 0.3839 0.2240 PRESSURE: 2698000 -362.284 -7.0551 -177.363 -7.0536 -114.898 -56.9024 -177.364 -56.9028 -27.0707 GPRESSURE: 2698000 -336.948 25.9758 -189.722 -84.8944 -76.4857 -24.9783 -148.254 -33.9005 7.81704 PRESSAVG: 2698000 11.4557 40.8789 15.5723 40.879 54.3315 -14.5955 15.5723 -14.5956 -49.0924 GPRESSAVG: 2698000 11.5917 40.8463 16.4341 39.6632 53.8795 -14.9437 14.9892 -13.5488 -49.19 TIMING: 2698000 CPU: 7818.59, 0.00287397/step Wall: 7818.59, 0.00287397/step, 1.83774 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2698000 747.6172 2090.7904 1967.6484 110.8592 -205813.2530 17547.4232 0.0000 0.0000 34389.2358 -148959.6788 300.3297 -183348.9146 -148853.4604 300.1140 -168.0844 -135.2057 558303.3279 5.5649 5.4271 PRESSURE: 2698200 -53.6072 110.653 23.1129 110.653 109.153 16.953 23.1134 16.9535 -89.7983 GPRESSURE: 2698200 36.0843 40.3875 51.4255 154.287 148.744 7.87308 94.2658 13.888 -110.31 PRESSAVG: 2698200 -46.8521 -5.53961 -23.1747 -5.53958 40.7835 -86.5473 -23.1746 -86.5473 -15.0663 GPRESSAVG: 2698200 -46.1041 -6.21127 -22.0929 -5.11909 40.9713 -86.2344 -24.6214 -88.9821 -15.7859 TIMING: 2698200 CPU: 7819.17, 0.00287503/step Wall: 7819.17, 0.00287503/step, 1.83826 hours remaining, 207.738281 MB of memory in use. ENERGY: 2698200 759.0109 2091.4070 1963.0133 107.8936 -205729.8643 17737.1075 0.0000 0.0000 34243.4259 -148828.0063 299.0564 -183071.4321 -148743.2394 299.8174 -11.4175 24.8395 557331.6643 -7.0450 -6.9729 PRESSURE: 2698400 -212.583 229.812 202.778 229.811 -35.529 -186.166 202.777 -186.165 -228.48 GPRESSURE: 2698400 -210.71 161.848 184.119 240.208 10.4829 -186.454 177.53 -86.371 -173.364 PRESSAVG: 2698400 55.7768 -7.65579 7.02206 -7.65578 7.71854 -48.4499 7.02194 -48.45 -57.0608 GPRESSAVG: 2698400 54.4928 -9.50587 6.4649 -7.97391 8.47606 -48.907 7.49137 -48.2364 -56.414 TIMING: 2698400 CPU: 7819.75, 0.0028905/step Wall: 7819.75, 0.0028905/step, 1.84799 hours remaining, 207.738281 MB of memory in use. ENERGY: 2698400 731.8766 2075.1378 1969.9477 106.8940 -205545.6322 17539.6692 0.0000 0.0000 34354.9065 -148767.2004 300.0299 -183122.1069 -148666.5750 300.5836 -158.8639 -124.5305 558844.9195 2.1449 2.1849 PRESSURE: 2698600 134.571 -102.105 -247.624 -102.103 -18.9352 98.1543 -247.623 98.1534 -165.094 GPRESSURE: 2698600 146.587 4.06787 -255.936 -148.929 54.2912 64.33 -183.575 113.197 -153.195 PRESSAVG: 2698600 82.5254 -3.25288 1.61634 -3.2528 -20.3493 -20.9776 1.61623 -20.9776 -28.6203 GPRESSAVG: 2698600 82.1331 -0.982972 0.978578 -2.75201 -21.1081 -18.5777 2.75398 -21.35 -28.0666 TIMING: 2698600 CPU: 7820.32, 0.00287832/step Wall: 7820.32, 0.00287832/step, 1.84005 hours remaining, 207.738281 MB of memory in use. ENERGY: 2698600 757.1721 2152.1917 1940.5846 105.0830 -205693.2119 17733.2511 0.0000 0.0000 34365.1846 -148639.7446 300.1197 -183004.9293 -148542.8626 299.7393 -16.4860 15.8944 558389.4396 11.1853 10.9861 PRESSURE: 2698800 -156.129 4.9194 -20.4838 4.91962 -252.132 83.1522 -20.4834 83.1525 -125.683 GPRESSURE: 2698800 -92.2772 15.3593 -81.7243 -43.4711 -217.96 43.6197 -6.35605 58.8893 -126.482 PRESSAVG: 2698800 54.1939 16.1755 -24.1737 16.1755 23.2158 24.5047 -24.1737 24.5046 -85.3249 GPRESSAVG: 2698800 55.5665 16.6852 -23.8542 15.3758 23.2379 22.0584 -22.8896 25.7151 -86.4399 TIMING: 2698800 CPU: 7820.9, 0.00288964/step Wall: 7820.9, 0.00288964/step, 1.84712 hours remaining, 207.738281 MB of memory in use. ENERGY: 2698800 771.8974 2029.3389 1982.9832 119.7885 -205383.8028 17509.6399 0.0000 0.0000 34521.3615 -148448.7935 301.4836 -182970.1549 -148352.2947 300.7933 -177.9813 -145.5730 559675.8712 -2.6384 -2.5452 PRESSURE: 2699000 -4.22468 -109.651 -0.0891059 -109.651 159.039 -2.66368 -0.0896154 -2.66417 88.5473 GPRESSURE: 2699000 59.7621 -11.2796 39.4825 -156.22 188.613 -8.30345 -59.5703 9.68498 84.552 PRESSAVG: 2699000 -22.0848 19.4987 20.9455 19.4986 7.25542 10.749 20.9454 10.7491 1.47024 GPRESSAVG: 2699000 -22.1548 18.436 21.6302 19.3344 6.73038 11.2979 19.5622 9.95984 2.21983 TIMING: 2699000 CPU: 7821.48, 0.0028806/step Wall: 7821.48, 0.0028806/step, 1.84118 hours remaining, 207.738281 MB of memory in use. ENERGY: 2699000 738.7331 2076.3806 1982.8100 117.3859 -206000.4120 17883.5909 0.0000 0.0000 34517.3513 -148684.1603 301.4486 -183201.5116 -148590.3456 300.9668 81.1205 110.9756 558464.5778 -4.4530 -4.4015 PRESSURE: 2699200 -41.6918 96.5707 -60.7423 96.5717 274.808 -32.1595 -60.7433 -32.1612 191.113 GPRESSURE: 2699200 12.1819 135.911 -165.513 147.566 282.005 -24.9936 -89.1787 20.565 226.022 PRESSAVG: 2699200 -49.1407 -15.3825 19.161 -15.3826 -8.77907 -34.4397 19.1611 -34.4396 53.6722 GPRESSAVG: 2699200 -50.7678 -15.4597 19.8807 -15.9606 -8.33225 -33.7815 17.3247 -33.0938 55.0852 TIMING: 2699200 CPU: 7822.05, 0.0028889/step Wall: 7822.05, 0.0028889/step, 1.84633 hours remaining, 207.738281 MB of memory in use. ENERGY: 2699200 753.2055 2028.5313 1957.1146 102.5546 -205895.1082 17919.7155 0.0000 0.0000 34305.8103 -148828.1763 299.6012 -183133.9866 -148734.0935 300.7210 141.4098 173.4030 557319.1885 -1.4158 -1.3383 PRESSURE: 2699400 -78.3416 -1.92863 -190.785 -1.92983 -223.748 -147 -190.784 -146.999 -261.598 GPRESSURE: 2699400 -79.1857 -60.5471 -180.519 55.7268 -168.35 -109.804 -178.951 -81.9958 -221.866 PRESSAVG: 2699400 -30.3215 14.0782 -30.4968 14.0781 45.2725 -40.6773 -30.4968 -40.6772 -22.1466 GPRESSAVG: 2699400 -29.3944 16.1604 -31.6379 13.6957 44.7031 -41.7556 -28.6324 -41.3404 -22.6935 TIMING: 2699400 CPU: 7822.63, 0.00290729/step Wall: 7822.63, 0.00290729/step, 1.85792 hours remaining, 207.738281 MB of memory in use. ENERGY: 2699400 757.4820 2072.9906 1948.9903 103.5553 -205755.3631 17675.7701 0.0000 0.0000 34378.0492 -148818.5255 300.2321 -183196.5748 -148718.5242 299.5256 -187.8957 -156.4673 558661.5621 -2.3985 -2.4616 PRESSURE: 2699600 112.033 -40.0014 21.1351 -40.0031 254.489 226.528 21.1361 226.528 4.27626 GPRESSURE: 2699600 145.481 23.7589 -39.4402 -24.6363 338.078 241.087 49.7607 144.161 -11.718 PRESSAVG: 2699600 -32.1062 28.7462 -10.1835 28.7461 74.2654 -3.14558 -10.1836 -3.14551 -69.152 GPRESSAVG: 2699600 -31.7677 27.3556 -9.45122 29.7157 73.6172 -1.32271 -11.3734 -3.09706 -68.7362 TIMING: 2699600 CPU: 7823.22, 0.00290566/step Wall: 7823.22, 0.00290566/step, 1.85671 hours remaining, 207.738281 MB of memory in use. ENERGY: 2699600 684.0453 2092.2909 1948.5337 105.6179 -205980.9462 17916.4989 0.0000 0.0000 34397.0673 -148836.8922 300.3981 -183233.9595 -148745.2210 300.2820 123.5994 157.2801 559399.1121 -8.9976 -8.9622 PRESSURE: 2699800 -44.5204 164.28 -23.6177 164.281 -56.531 -78.2265 -23.6184 -78.2258 -169.487 GPRESSURE: 2699800 11.9826 113.836 -0.762943 162.169 -45.2664 -58.8554 -79.145 -53.7494 -129.064 PRESSAVG: 2699800 -28.697 33.6923 23.4285 33.6924 59.4733 38.3001 23.4284 38.3 -3.86378 GPRESSAVG: 2699800 -28.0218 33.7023 22.448 33.6402 59.0122 37.3454 24.159 37.2381 -3.43445 TIMING: 2699800 CPU: 7823.8, 0.00291056/step Wall: 7823.8, 0.00291056/step, 1.85969 hours remaining, 207.738281 MB of memory in use. ENERGY: 2699800 739.3654 2047.5822 1951.4667 108.7458 -205660.4612 17625.4728 0.0000 0.0000 34225.4714 -148962.3569 298.8996 -183187.8282 -148870.4732 300.1801 -90.1795 -54.1159 558213.8968 8.9708 9.1853 PRESSURE: 2700000 -145.034 29.9327 0.755157 29.9324 -90.8044 -11.774 0.755543 -11.7753 145.76 GPRESSURE: 2700000 -108.785 -100.846 5.5592 27.362 -115.889 -13.7691 -20.2394 17.8367 227.276 PRESSAVG: 2700000 66.4366 -35.1232 9.11519 -35.1232 -64.4753 10.6061 9.11518 10.606 37.3248 GPRESSAVG: 2700000 65.9253 -34.7815 11.1983 -36.007 -63.0628 11.1582 8.38547 11.0065 37.0786 TIMING: 2700000 CPU: 7824.38, 0.00290162/step Wall: 7824.38, 0.00290162/step, 1.85381 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2700000 745.1387 2054.0197 1956.7197 103.5058 -206074.3599 17761.8458 0.0000 0.0000 34449.4374 -149003.6928 300.8555 -183453.1302 -148900.7033 300.2212 -30.0262 0.8675 558084.1361 13.0954 13.3137 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 WRITING COORDINATES TO DCD FILE MD.2.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 -322.385 -68.7275 -23.7413 -68.7282 29.9185 41.2019 -23.7413 41.2013 -18.2443 GPRESSURE: 2700200 -295.878 -66.3701 56.3748 -71.6055 51.173 4.20478 -72.4895 73.1218 32.446 PRESSAVG: 2700200 -27.6472 -8.55628 2.52928 -8.55625 -13.6446 -11.1194 2.5294 -11.1194 38.0629 GPRESSAVG: 2700200 -27.4227 -8.90106 1.26571 -7.59715 -12.6627 -13.9184 2.80863 -10.1387 37.9387 TIMING: 2700200 CPU: 7824.97, 0.00297558/step Wall: 7824.97, 0.00297558/step, 1.9009 hours remaining, 207.738281 MB of memory in use. ENERGY: 2700200 778.3385 2095.3403 1942.0234 129.9435 -205992.5503 17851.1526 0.0000 0.0000 34144.7349 -149051.0173 298.1945 -183195.7521 -148951.9549 299.8339 -103.5703 -70.7531 559609.1253 -1.0763 -0.7155 LDB: ============= START OF LOAD BALANCING ============== 7828.36 LDB: ============== END OF LOAD BALANCING =============== 7828.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7828.36 LDB: ============= START OF LOAD BALANCING ============== 7828.65 LDB: Largest compute 4820 load 0.025519 is 21.6% of average load 0.117897 LDB: Average compute 0.001733 is 1.5% of average load 0.117897 LDB: TIME 7828.66 LOAD: AVG 0.117897 MAX 0.180152 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.645 MB LDB: TIME 7828.66 LOAD: AVG 0.117897 MAX 0.180152 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: TIME 7828.66 LOAD: AVG 0.117897 MAX 0.180152 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: ============== END OF LOAD BALANCING =============== 7828.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7828.66 PRESSURE: 2700400 -147.651 63.8251 -63.3598 63.8245 -109.118 -74.0454 -63.3599 -74.0443 -132.768 GPRESSURE: 2700400 -98.7659 71.8257 -73.9713 20.1518 -80.7675 -66.7554 -67.9788 -48.9012 -122.28 PRESSAVG: 2700400 -21.9207 18.0155 9.50342 18.0155 -36.266 -46.2204 9.50331 -46.2202 46.5442 GPRESSAVG: 2700400 -22.9458 18.6625 8.57742 18.1855 -36.1319 -43.5616 9.37669 -45.7326 46.9944 TIMING: 2700400 CPU: 7825.57, 0.00296909/step Wall: 7825.57, 0.00296909/step, 1.89659 hours remaining, 209.515625 MB of memory in use. ENERGY: 2700400 789.7456 2074.1795 1950.6703 101.9859 -205779.5104 17650.6486 0.0000 0.0000 34236.3027 -148975.9777 298.9941 -183212.2805 -148877.3066 299.2822 -129.8457 -100.6045 559866.0065 -3.8808 -4.0277 PRESSURE: 2700600 -34.3851 -197.723 -198.31 -197.722 -80.6934 9.28554 -198.308 9.28482 -234.993 GPRESSURE: 2700600 75.9414 -218.958 -199.337 -136.264 -53.4229 -21.9233 -147.355 17.1387 -291.337 PRESSAVG: 2700600 -0.32281 -65.6255 40.6882 -65.6255 15.7362 -50.9182 40.6882 -50.9183 5.66339 GPRESSAVG: 2700600 1.35984 -65.0562 41.9795 -65.4703 15.0146 -51.1706 41.8573 -52.6104 4.95066 TIMING: 2700600 CPU: 7826.15, 0.00289297/step Wall: 7826.15, 0.00289297/step, 1.84781 hours remaining, 209.515625 MB of memory in use. ENERGY: 2700600 744.2502 2110.7156 1952.3041 115.7558 -205811.9239 17606.8721 0.0000 0.0000 34293.7932 -148988.2331 299.4962 -183282.0263 -148891.9527 298.9419 -116.6905 -89.6062 558784.4106 7.0256 7.1084 PRESSURE: 2700800 -92.2804 52.3821 -120.813 52.3812 76.1309 -3.05122 -120.814 -3.05143 93.2704 GPRESSURE: 2700800 -69.4518 54.1941 -147.903 40.5409 125.21 26.7176 -96.8844 53.7124 117.407 PRESSAVG: 2700800 -6.73641 -17.0767 -40.1488 -17.0767 2.01093 -35.0488 -40.1488 -35.0486 9.65813 GPRESSAVG: 2700800 -7.53998 -18.1946 -39.0523 -16.9811 2.0103 -35.9928 -41.1516 -33.643 11.4439 TIMING: 2700800 CPU: 7826.72, 0.00288531/step Wall: 7826.72, 0.00288531/step, 1.84275 hours remaining, 209.515625 MB of memory in use. ENERGY: 2700800 811.6082 2083.6534 1937.0737 112.3205 -205990.6426 17855.0197 0.0000 0.0000 34352.7789 -148838.1882 300.0114 -183190.9671 -148745.7271 299.5082 25.7069 57.7218 558678.5995 1.6442 1.9714 PRESSURE: 2701000 -147.505 -29.6557 103.116 -29.6556 2.60633 -260.261 103.115 -260.261 4.63446 GPRESSURE: 2701000 -68.9301 -55.5226 99.6729 -5.88535 -14.5058 -316.088 193.504 -220.652 29.5238 PRESSAVG: 2701000 -114.383 -2.81402 -19.4186 -2.81412 28.0242 -4.52654 -19.4187 -4.52653 54.9217 GPRESSAVG: 2701000 -114.839 -1.12771 -19.6759 -2.58077 28.7332 -4.8178 -18.1966 -5.44045 54.625 TIMING: 2701000 CPU: 7827.3, 0.00286885/step Wall: 7827.3, 0.00286885/step, 1.83208 hours remaining, 209.515625 MB of memory in use. ENERGY: 2701000 763.5523 2032.6571 1984.6460 129.5000 -205919.1730 17702.0843 0.0000 0.0000 34441.5776 -148865.1557 300.7869 -183306.7333 -148776.5099 300.3797 -46.7546 -17.9707 558180.6364 -10.4789 -10.4935 PRESSURE: 2701200 -6.15208 -88.5343 135.91 -88.5355 80.8298 -9.15626 135.909 -9.15773 -217.713 GPRESSURE: 2701200 86.0711 -4.87499 72.8742 -99.9636 -5.46115 -37.3535 131.258 38.2843 -127.62 PRESSAVG: 2701200 -51.377 12.712 -7.56569 12.712 -2.16553 37.6819 -7.56558 37.6818 45.3363 GPRESSAVG: 2701200 -50.2748 12.9403 -8.93329 13.2604 -1.95826 37.2437 -9.54538 37.2503 44.856 TIMING: 2701200 CPU: 7827.87, 0.00288792/step Wall: 7827.87, 0.00288792/step, 1.8441 hours remaining, 209.515625 MB of memory in use. ENERGY: 2701200 732.0187 2112.5036 1943.6987 108.1439 -205899.4531 17728.0182 0.0000 0.0000 34455.7185 -148819.3514 300.9104 -183275.0699 -148716.8694 300.0658 -47.6784 -15.6701 558799.9297 -2.7354 -2.4590 PRESSURE: 2701400 70.7919 10.3682 136.407 10.3687 -379.961 66.0743 136.406 66.0749 -171.504 GPRESSURE: 2701400 80.9691 2.92958 145.677 -10.7626 -321.822 59.7693 189.148 108.893 -146.101 PRESSAVG: 2701400 25.0865 -3.90325 48.4332 -3.90328 -29.626 42.6597 48.4331 42.6598 -9.09387 GPRESSAVG: 2701400 25.5437 -4.89308 50.4128 -4.28291 -29.6185 44.1446 47.802 43.1275 -9.35432 TIMING: 2701400 CPU: 7828.45, 0.00288324/step Wall: 7828.45, 0.00288324/step, 1.84095 hours remaining, 209.515625 MB of memory in use. ENERGY: 2701400 786.3188 2071.8389 1927.4442 106.0939 -205881.8035 17705.0096 0.0000 0.0000 34379.1710 -148905.9272 300.2419 -183285.0982 -148814.6903 300.2255 -160.2245 -128.9849 557589.9417 -4.5445 -4.4764 PRESSURE: 2701600 -81.2602 -107.232 -68.7589 -107.231 -104.057 6.38255 -68.7587 6.38209 49.6714 GPRESSURE: 2701600 -24.7319 -129.959 -102.217 -67.0915 -69.4534 -5.92853 6.01863 25.5047 56.883 PRESSAVG: 2701600 -46.169 16.6756 49.6372 16.6756 11.5124 8.08426 49.6372 8.08427 61.3128 GPRESSAVG: 2701600 -46.3611 16.6428 49.1254 17.2737 11.9965 7.76603 51.2784 7.95957 61.4063 TIMING: 2701600 CPU: 7829.03, 0.00288414/step Wall: 7829.03, 0.00288414/step, 1.84136 hours remaining, 209.515625 MB of memory in use. ENERGY: 2701600 752.8767 2062.1931 1929.8050 115.7625 -205835.4246 17810.7820 0.0000 0.0000 34306.3839 -148857.6213 299.6062 -183164.0052 -148762.9725 299.5888 -45.2153 -12.4341 557604.6426 8.8854 9.0139 PRESSURE: 2701800 41.6755 112.666 -88.1429 112.667 -77.9858 -117.198 -88.1438 -117.199 -24.8062 GPRESSURE: 2701800 62.8808 112.38 -69.3407 119.093 -22.6506 -88.9899 -54.3098 -170.714 -9.84966 PRESSAVG: 2701800 0.557929 0.852952 0.0671266 0.852859 -2.27419 -12.0609 0.067059 -12.061 10.7879 GPRESSAVG: 2701800 -0.711962 2.46677 -1.41236 -1.00589 -1.92634 -13.4845 2.12593 -10.7664 11.7555 TIMING: 2701800 CPU: 7829.61, 0.00289467/step Wall: 7829.61, 0.00289467/step, 1.84793 hours remaining, 209.515625 MB of memory in use. ENERGY: 2701800 777.6213 2062.7164 1966.4604 115.2825 -205947.5068 17637.1232 0.0000 0.0000 34201.0602 -149187.2428 298.6864 -183388.3030 -149089.1813 299.5516 -20.3722 10.1268 556945.5120 3.0239 3.0391 PRESSURE: 2702000 249.15 35.3326 49.1337 35.3327 159.256 -96.0841 49.1345 -96.0835 -143.683 GPRESSURE: 2702000 275.328 -10.1911 29.254 99.8731 162.879 -113.034 73.6349 -140.947 -83.8268 PRESSAVG: 2702000 13.277 -26.1464 27.0548 -26.1463 2.39751 -27.1707 27.0548 -27.1708 -23.608 GPRESSAVG: 2702000 13.495 -28.3019 28.9065 -23.5745 1.89184 -25.7465 24.2951 -28.4111 -23.0827 TIMING: 2702000 CPU: 7830.18, 0.00288298/step Wall: 7830.18, 0.00288298/step, 1.8403 hours remaining, 209.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2702000 728.8144 2054.7636 1958.3548 116.8441 -206624.9485 18126.6481 0.0000 0.0000 34448.5705 -149190.9531 300.8479 -183639.5236 -149098.4528 299.2336 88.2406 118.1268 556814.5824 -2.6445 -2.5653 PRESSURE: 2702200 69.876 -61.256 -47.8629 -61.2558 -415.526 -0.274546 -47.8635 -0.275565 103.958 GPRESSURE: 2702200 50.0333 -63.4058 -71.4591 -19.5184 -325.156 -111.299 -12.7084 24.8972 129.515 PRESSAVG: 2702200 31.8719 -42.0826 -15.1676 -42.0825 -60.3433 -13.5615 -15.1677 -13.5615 40.5604 GPRESSAVG: 2702200 32.4428 -41.9237 -17.5254 -43.6059 -59.6338 -11.9783 -15.5677 -15.7918 39.4357 TIMING: 2702200 CPU: 7830.76, 0.00287828/step Wall: 7830.76, 0.00287828/step, 1.83714 hours remaining, 209.515625 MB of memory in use. ENERGY: 2702200 770.0221 2071.2908 1949.6911 126.2018 -206162.0345 17796.1347 0.0000 0.0000 34409.7057 -149038.9883 300.5085 -183448.6940 -148935.8533 299.4805 -80.5639 -48.5357 556398.4331 4.0296 4.0815 PRESSURE: 2702400 -91.4345 -94.8193 -150.828 -94.8195 -521.526 -38.802 -150.829 -38.8026 -127.004 GPRESSURE: 2702400 -33.0527 -66.5158 -52.9469 -76.3553 -537.659 -40.6272 -156.433 31.6529 -84.4509 PRESSAVG: 2702400 28.1013 48.0824 38.3792 48.0824 -34.0594 -4.343 38.3791 -4.34306 4.39217 GPRESSAVG: 2702400 28.1411 48.8755 42.1391 47.2772 -34.4096 -5.60469 36.245 -4.15749 5.45735 TIMING: 2702400 CPU: 7831.34, 0.00288544/step Wall: 7831.34, 0.00288543/step, 1.84155 hours remaining, 209.515625 MB of memory in use. ENERGY: 2702400 788.4541 2086.1335 1976.4208 121.0571 -206113.4610 17650.8812 0.0000 0.0000 34350.5414 -149139.9729 299.9918 -183490.5143 -149045.0040 299.7501 -246.6548 -218.3876 557654.3619 -0.5220 -0.2704 PRESSURE: 2702600 -279.756 149.825 122.613 149.824 -211.619 -183.227 122.613 -183.228 -174.334 GPRESSURE: 2702600 -191.212 173.169 49.4725 151.981 -217.346 -122.442 84.5262 -129.397 -157.821 PRESSAVG: 2702600 18.046 20.4187 -5.89304 20.4187 27.2711 1.72386 -5.89303 1.72387 -61.3961 GPRESSAVG: 2702600 18.6845 20.9048 -7.02388 21.1134 27.4742 3.23959 -4.13671 2.7213 -62.454 TIMING: 2702600 CPU: 7831.91, 0.00288737/step Wall: 7831.91, 0.00288737/step, 1.84263 hours remaining, 209.515625 MB of memory in use. ENERGY: 2702600 776.6401 2088.3307 1936.4695 105.1913 -205661.0692 17496.6079 0.0000 0.0000 34292.2388 -148965.5909 299.4827 -183257.8297 -148865.3534 299.9172 -221.9029 -188.7928 558647.5459 -5.3597 -5.4318 PRESSURE: 2702800 3.31379 63.8519 43.1946 63.8512 -98.4985 -163.788 43.1944 -163.788 -62.8816 GPRESSURE: 2702800 56.6298 25.6546 25.198 38.2025 -40.7359 -156.231 124.587 -279.932 -63.24 PRESSAVG: 2702800 -27.0113 41.0805 7.20021 41.0805 -23.5605 14.4924 7.20033 14.4925 48.4728 GPRESSAVG: 2702800 -27.091 41.5641 6.04887 39.8076 -22.8455 13.9029 7.56732 16.0807 48.4088 TIMING: 2702800 CPU: 7832.49, 0.00288363/step Wall: 7832.49, 0.00288363/step, 1.84007 hours remaining, 209.515625 MB of memory in use. ENERGY: 2702800 784.8551 2117.4254 1964.3011 116.3681 -206023.2549 17807.3872 0.0000 0.0000 34338.6659 -148894.2521 299.8881 -183232.9181 -148785.4602 299.9553 -52.6888 -15.7820 557688.3561 -0.6997 -0.5092 PRESSURE: 2703000 -268.698 -119.207 68.2009 -119.207 -300.021 -9.58244 68.2003 -9.58409 -155.799 GPRESSURE: 2703000 -222.112 -134.773 28.1281 -27.0229 -272.521 -36.1312 122.202 6.25211 -137.158 PRESSAVG: 2703000 22.304 37.9199 -18.9948 37.9199 -41.9802 19.8564 -18.9948 19.8565 27.5595 GPRESSAVG: 2703000 22.283 35.1753 -20.923 39.6549 -42.5084 21.1117 -15.8544 18.8034 27.2248 TIMING: 2703000 CPU: 7833.07, 0.00288041/step Wall: 7833.07, 0.00288041/step, 1.83786 hours remaining, 209.640625 MB of memory in use. ENERGY: 2703000 747.8665 2122.2521 1994.9313 116.8097 -205543.4855 17488.3586 0.0000 0.0000 34254.6422 -148818.6252 299.1543 -183073.2673 -148717.7065 300.6554 -241.5062 -210.5966 559569.0428 2.6278 2.3331 PRESSURE: 2703200 243.693 -1.30953 -118.926 -1.30992 128.869 98.056 -118.926 98.0538 -199.057 GPRESSURE: 2703200 242.733 -69.5353 -111.461 -25.7498 154.595 120.72 -192.144 124.515 -126.14 PRESSAVG: 2703200 20.8436 17.1022 -15.824 17.1022 -45.1693 60.2907 -15.8239 60.2907 1.65787 GPRESSAVG: 2703200 18.9405 21.1597 -14.5769 14.9888 -45.3899 58.5082 -18.2571 59.4473 3.48791 TIMING: 2703200 CPU: 7833.64, 0.00288905/step Wall: 7833.64, 0.00288905/step, 1.84321 hours remaining, 209.640625 MB of memory in use. ENERGY: 2703200 736.5674 2140.1953 1978.4142 115.6884 -205963.1792 17779.4205 0.0000 0.0000 34417.0470 -148795.8462 300.5726 -183212.8933 -148692.1769 300.6696 57.8348 90.3961 557654.0198 -7.5559 -7.6538 PRESSURE: 2703400 -50.9812 -42.4997 5.21805 -42.5004 -73.3111 -82.583 5.21713 -82.5843 -104.36 GPRESSURE: 2703400 -2.74546 -62.8272 5.13708 59.3274 -124.221 14.0051 10.9016 -73.6901 -4.31345 PRESSAVG: 2703400 85.8482 7.33838 24.0866 7.3384 -74.352 -7.04783 24.0867 -7.04792 4.24133 GPRESSAVG: 2703400 87.3052 4.93447 24.3298 7.88194 -75.2928 -6.09894 25.2714 -6.54418 3.69626 TIMING: 2703400 CPU: 7834.22, 0.00289476/step Wall: 7834.22, 0.00289476/step, 1.8467 hours remaining, 209.640625 MB of memory in use. ENERGY: 2703400 724.2878 2119.4662 1969.9938 108.6569 -206031.3591 17680.2913 0.0000 0.0000 34682.0549 -148746.6081 302.8870 -183428.6630 -148650.7779 301.2167 -76.2176 -43.7599 558530.1769 5.2458 5.2362 PRESSURE: 2703600 -6.29692 -114.824 109.783 -114.825 152.415 77.0045 109.783 77.0038 -102.569 GPRESSURE: 2703600 85.0305 -121.885 140.93 -117.062 158.269 15.6287 50.2976 65.0724 -95.3535 PRESSAVG: 2703600 32.3514 -18.6113 9.45124 -18.6112 -3.3292 5.34523 9.45121 5.34529 -3.52524 GPRESSAVG: 2703600 33.1015 -17.7908 10.4528 -19.3758 -3.66381 5.45333 8.32509 5.37988 -4.29951 TIMING: 2703600 CPU: 7834.8, 0.0028925/step Wall: 7834.8, 0.0028925/step, 1.84509 hours remaining, 209.640625 MB of memory in use. ENERGY: 2703600 781.4823 2038.7301 1961.5739 122.7333 -205872.9153 17685.8067 0.0000 0.0000 34595.8488 -148686.7402 302.1342 -183282.5890 -148594.4003 301.4943 14.5162 49.3154 557417.3925 8.4990 8.3794 PRESSURE: 2703800 54.9001 121.432 -0.915876 121.431 -144.591 -124.98 -0.915049 -124.98 23.8824 GPRESSURE: 2703800 147.101 59.4752 16.395 91.4479 -110.109 -72.5064 -6.72647 -109.564 -9.00388 PRESSAVG: 2703800 0.108571 46.9254 17.9994 46.9255 -24.1642 -33.2323 17.9993 -33.2323 61.0974 GPRESSAVG: 2703800 0.269264 45.9535 16.8165 47.1495 -24.2183 -33.1449 18.0317 -33.3652 60.8651 TIMING: 2703800 CPU: 7835.38, 0.00288815/step Wall: 7835.38, 0.00288815/step, 1.84216 hours remaining, 209.640625 MB of memory in use. ENERGY: 2703800 714.0790 2121.4197 1984.2705 105.2657 -205675.8280 17663.4951 0.0000 0.0000 34312.3978 -148774.9003 299.6587 -183087.2980 -148678.1563 300.3480 -21.9362 9.3295 558536.2599 12.3472 12.3054 PRESSURE: 2704000 -284.414 -52.5142 152.721 -52.5137 -67.5674 -167.494 152.719 -167.495 -204.328 GPRESSURE: 2704000 -183.423 18.2597 177.636 -141.903 -131.13 -136.858 55.1021 -167.407 -156.241 PRESSAVG: 2704000 -30.8171 9.91859 35.9748 9.91861 -57.5997 -55.2729 35.9748 -55.273 64.7794 GPRESSAVG: 2704000 -31.0272 9.13601 35.9695 9.88461 -58.2006 -54.294 35.2833 -55.5555 65.6446 TIMING: 2704000 CPU: 7835.96, 0.00290126/step Wall: 7835.96, 0.00290126/step, 1.85036 hours remaining, 209.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2704000 776.8087 2050.0805 1943.3911 120.9535 -206027.8650 17634.8004 0.0000 0.0000 34607.9582 -148893.8726 302.2399 -183501.8309 -148792.0264 301.3060 -185.4362 -156.9316 559004.5672 -7.8791 -7.8611 PRESSURE: 2704200 -108.69 8.55278 -117.626 8.55193 -154.313 -136.06 -117.625 -136.059 -77.5486 GPRESSURE: 2704200 -95.0087 103.442 -60.7662 -23.1267 -125.815 -31.0874 -178.476 -98.3485 -24.1087 PRESSAVG: 2704200 60.598 66.6971 -55.6305 66.697 -38.071 -29.5546 -55.6305 -29.5546 22.13 GPRESSAVG: 2704200 60.8782 66.2804 -54.2667 66.6581 -38.823 -29.4127 -54.8526 -29.0968 22.2761 TIMING: 2704200 CPU: 7836.54, 0.00288455/step Wall: 7836.54, 0.00288455/step, 1.83954 hours remaining, 209.640625 MB of memory in use. ENERGY: 2704200 796.8414 2032.7742 1974.7478 108.8358 -206190.1133 17880.8565 0.0000 0.0000 34450.6322 -148945.4254 300.8659 -183396.0576 -148848.9735 300.6112 -113.5171 -81.6442 557671.3852 14.8857 14.7771 LDB: ============= START OF LOAD BALANCING ============== 7839.92 LDB: ============== END OF LOAD BALANCING =============== 7839.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7839.92 LDB: ============= START OF LOAD BALANCING ============== 7840.21 LDB: Largest compute 4820 load 0.026346 is 22.3% of average load 0.117919 LDB: Average compute 0.001744 is 1.5% of average load 0.117919 LDB: TIME 7840.21 LOAD: AVG 0.117919 MAX 0.180719 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.965 MB LDB: TIME 7840.21 LOAD: AVG 0.117919 MAX 0.180719 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.965 MB LDB: TIME 7840.21 LOAD: AVG 0.117919 MAX 0.180719 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.965 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7840.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7840.22 PRESSURE: 2704400 89.0729 -83.5399 -116.753 -83.5413 295.135 -94.0593 -116.754 -94.0609 27.4535 GPRESSURE: 2704400 116.656 -101.691 -27.759 -44.6501 293.072 -144.341 -135.711 -75.7216 102.894 PRESSAVG: 2704400 19.7637 17.1176 -26.3075 17.1175 -21.6337 -12.0415 -26.3075 -12.0417 34.2718 GPRESSAVG: 2704400 19.3876 16.7314 -27.7051 20.2264 -20.6648 -11.3388 -25.7003 -13.8681 33.6306 TIMING: 2704400 CPU: 7837.12, 0.00293603/step Wall: 7837.12, 0.00293603/step, 1.87221 hours remaining, 209.765625 MB of memory in use. ENERGY: 2704400 745.7012 2114.1540 1971.3227 124.3793 -206557.9341 18012.7011 0.0000 0.0000 34404.3982 -149185.2776 300.4622 -183589.6758 -149092.1023 299.7883 137.2203 170.8742 557560.1226 10.8006 10.7845 PRESSURE: 2704600 115.167 -187.491 60.1675 -187.491 -364.106 -0.537048 60.1681 -0.536545 -69.3774 GPRESSURE: 2704600 149.931 -142.344 56.9658 -220.884 -358.289 -67.1487 45.7306 88.2787 -13.8219 PRESSAVG: 2704600 34.1819 -21.6261 38.2922 -21.6262 -28.4187 -1.41324 38.2922 -1.41338 -22.3295 GPRESSAVG: 2704600 32.906 -18.5013 38.7395 -25.3515 -27.485 -1.85473 37.7718 -1.01727 -22.2346 TIMING: 2704600 CPU: 7837.7, 0.00290446/step Wall: 7837.7, 0.00290446/step, 1.85192 hours remaining, 209.765625 MB of memory in use. ENERGY: 2704600 741.2680 2014.5250 1956.9891 117.8214 -205886.2767 17622.6280 0.0000 0.0000 34283.8145 -149149.2307 299.4091 -183433.0452 -149050.5081 299.9874 -106.1055 -74.0600 558269.0736 -5.5221 -5.6045 PRESSURE: 2704800 166.02 65.3168 67.0049 65.3173 45.2658 169.251 67.0055 169.25 -161.859 GPRESSURE: 2704800 179.523 5.85545 84.1011 -46.4232 158.312 68.8963 44.2474 147.06 -181.295 PRESSAVG: 2704800 -10.2612 6.14312 -0.422981 6.14311 -95.6241 23.1319 -0.422935 23.1318 76.2452 GPRESSAVG: 2704800 -10.8284 4.72887 -1.06477 6.4208 -96.1369 20.3915 -0.403246 25.2863 77.455 TIMING: 2704800 CPU: 7838.29, 0.00291906/step Wall: 7838.29, 0.00291906/step, 1.86106 hours remaining, 209.765625 MB of memory in use. ENERGY: 2704800 737.8185 2082.4617 1955.6677 99.6727 -205946.6987 17708.1343 0.0000 0.0000 34108.5628 -149254.3810 297.8786 -183362.9438 -149150.3557 299.3768 16.4756 52.1799 556566.9438 -9.8800 -9.8368 PRESSURE: 2705000 -144.146 125.72 -125.468 125.721 -416.313 -51.2407 -125.468 -51.2413 115.826 GPRESSURE: 2705000 -77.8438 14.2329 -90.5871 227.265 -348.275 -48.7449 -170.982 -2.49945 86.2604 PRESSAVG: 2705000 85.3334 26.5996 24.12 26.5995 -55.8134 51.2208 24.12 51.2209 8.2075 GPRESSAVG: 2705000 87.4212 24.6405 27.1059 28.6282 -56.1291 50.6745 21.9592 52.0066 7.16979 TIMING: 2705000 CPU: 7838.87, 0.00292773/step Wall: 7838.87, 0.00292773/step, 1.86643 hours remaining, 209.765625 MB of memory in use. ENERGY: 2705000 750.1946 2040.8855 1952.8492 111.8177 -205581.6028 17390.5521 0.0000 0.0000 34077.7985 -149257.5053 297.6099 -183335.3038 -149157.0246 298.3932 -148.2111 -113.2862 556980.5852 12.5758 12.8206 PRESSURE: 2705200 -51.7011 13.0247 -81.2932 13.0253 -322.664 76.4946 -81.2933 76.4931 -124.588 GPRESSURE: 2705200 4.81286 59.1468 -4.69892 -103.843 -346.132 170.763 -108.081 10.9614 -71.4215 PRESSAVG: 2705200 14.7713 29.4221 28.3891 29.4221 -28.5394 61.3782 28.389 61.3782 7.39202 GPRESSAVG: 2705200 14.4841 30.3913 24.3452 28.5281 -29.51 61.742 30.0243 59.7183 8.33325 TIMING: 2705200 CPU: 7839.46, 0.00292256/step Wall: 7839.46, 0.00292256/step, 1.86297 hours remaining, 210.035156 MB of memory in use. ENERGY: 2705200 749.0784 2062.8865 1982.3338 125.4567 -206326.5088 17642.4364 0.0000 0.0000 34385.1774 -149379.1396 300.2943 -183764.3170 -149284.2393 298.8872 -166.3177 -137.5801 557152.5326 -2.1254 -2.2309 PRESSURE: 2705400 217.131 -66.5297 83.8853 -66.5278 25.8322 -90.1309 83.8846 -90.1308 -259.087 GPRESSURE: 2705400 242.306 -91.0653 162.191 -41.4088 31.261 -44.6404 92.1344 -82.8925 -175.225 PRESSAVG: 2705400 25.854 -19.5973 -14.0443 -19.5974 24.6665 52.6421 -14.0444 52.6421 -34.9373 GPRESSAVG: 2705400 24.982 -19.7795 -11.5106 -19.2314 24.8138 55.9029 -14.0562 50.5738 -34.5565 TIMING: 2705400 CPU: 7840.04, 0.00291511/step Wall: 7840.04, 0.00291511/step, 1.85806 hours remaining, 210.035156 MB of memory in use. ENERGY: 2705400 736.6908 2073.1417 1978.8381 102.8184 -206307.0700 17866.4007 0.0000 0.0000 34336.3745 -149212.8058 299.8681 -183549.1803 -149126.3702 299.2128 -5.3748 32.7806 557146.3465 5.1944 5.0798 PRESSURE: 2705600 -143.604 -15.3137 -16.8395 -15.3147 -125.093 85.5086 -16.8381 85.5082 -358.435 GPRESSURE: 2705600 -77.2314 -12.7631 -0.255252 -9.91073 -134.956 81.4009 -34.1216 91.0106 -316.85 PRESSAVG: 2705600 97.3568 34.7314 -9.49679 34.7315 -34.7065 11.3581 -9.49669 11.3581 -98.1783 GPRESSAVG: 2705600 97.7495 35.5654 -9.36159 36.0498 -34.5278 10.1531 -9.55141 13.7328 -99.2231 TIMING: 2705600 CPU: 7840.63, 0.00292244/step Wall: 7840.63, 0.00292244/step, 1.86257 hours remaining, 210.035156 MB of memory in use. ENERGY: 2705600 757.1868 2102.6196 1966.3403 105.6268 -205713.5356 17444.6418 0.0000 0.0000 34138.3411 -149198.7792 298.1386 -183337.1202 -149102.3795 299.2236 -209.0442 -176.3458 560197.9242 -11.8427 -12.0004 PRESSURE: 2705800 51.0843 -18.8928 73.7622 -18.8932 91.3244 9.1184 73.7612 9.11861 10.4624 GPRESSURE: 2705800 78.2559 75.1646 118.345 -50.8841 115.027 7.10273 13.3643 48.2779 53.7188 PRESSAVG: 2705800 91.9603 13.6808 24.5775 13.6808 -29.4578 24.1208 24.5775 24.1208 -50.3102 GPRESSAVG: 2705800 91.0069 14.0693 25.2821 13.3653 -30.0573 22.4174 24.0828 24.6831 -49.0476 TIMING: 2705800 CPU: 7841.2, 0.00289572/step Wall: 7841.2, 0.00289572/step, 1.84538 hours remaining, 210.035156 MB of memory in use. ENERGY: 2705800 757.5432 2069.6060 1959.7043 128.4230 -206239.2394 17708.6777 0.0000 0.0000 34284.0936 -149331.1916 299.4115 -183615.2852 -149237.7429 299.1312 50.9570 82.3338 557532.7830 4.0641 3.9673 PRESSURE: 2706000 -94.5554 38.8186 -31.7927 38.818 -237.218 -126.041 -31.7914 -126.041 -104.205 GPRESSURE: 2706000 -31.3311 14.5427 -50.2424 40.7012 -257.735 -201.459 -103.52 -99.5482 -60.4035 PRESSAVG: 2706000 -20.7038 44.1639 6.10873 44.164 -37.8738 -5.95905 6.10873 -5.95897 17.5387 GPRESSAVG: 2706000 -19.333 44.7829 4.43014 41.9418 -37.2658 -4.85417 8.00351 -8.11551 15.1797 TIMING: 2706000 CPU: 7841.78, 0.00289417/step Wall: 7841.78, 0.00289417/step, 1.84423 hours remaining, 210.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2706000 737.6995 2101.7713 1956.2699 106.3215 -205943.5249 17511.8175 0.0000 0.0000 34221.5716 -149308.0737 298.8655 -183529.6453 -149208.5125 299.1831 -145.3260 -116.4900 557362.0705 -13.6796 -13.8064 PRESSURE: 2706200 278.399 45.0834 -98.6424 45.0835 20.8111 -23.723 -98.643 -23.7222 345.884 GPRESSURE: 2706200 308.26 78.693 -91.755 12.5774 134.018 -58.1844 -98.3839 -16.9454 293.088 PRESSAVG: 2706200 8.15888 30.5007 14.6892 30.5007 -8.8269 -17.1392 14.6892 -17.1391 -6.58955 GPRESSAVG: 2706200 6.70634 30.3462 16.031 31.7364 -8.37862 -17.6498 12.861 -16.6901 -5.69937 TIMING: 2706200 CPU: 7842.36, 0.00289776/step Wall: 7842.36, 0.00289776/step, 1.84636 hours remaining, 210.035156 MB of memory in use. ENERGY: 2706200 706.0999 2045.0026 1956.8367 115.7724 -206472.4826 18024.1420 0.0000 0.0000 34285.9524 -149338.6766 299.4277 -183624.6290 -149242.9328 299.8008 215.0314 245.1217 555004.2568 -2.4192 -2.4572 PRESSURE: 2706400 5.1119 -15.5459 228.15 -15.5468 78.948 26.6223 228.149 26.6226 91.7515 GPRESSURE: 2706400 32.0725 24.4963 183.559 -4.64524 93.1878 63.4078 211.048 -67.9554 146.152 PRESSAVG: 2706400 -61.3494 31.8783 -57.4666 31.8784 -60.6023 17.2944 -57.4665 17.2943 114.586 GPRESSAVG: 2706400 -60.9361 31.5377 -58.7686 31.7456 -60.4273 17.1489 -56.747 17.5728 114.517 TIMING: 2706400 CPU: 7842.94, 0.00286992/step Wall: 7842.94, 0.00286992/step, 1.82846 hours remaining, 210.035156 MB of memory in use. ENERGY: 2706400 737.9967 2043.5723 1967.5236 106.1737 -206168.5647 17702.3215 0.0000 0.0000 34307.4123 -149303.5647 299.6152 -183610.9770 -149214.6842 299.0178 58.6038 90.4708 555226.2498 -2.4551 -2.2821 PRESSURE: 2706600 -109.595 59.1804 -98.3538 59.1812 -105.374 -69.7078 -98.3545 -69.7069 -17.9795 GPRESSURE: 2706600 -96.5284 33.2206 -53.4196 116.407 -66.6447 18.2438 -62.1115 -136.827 30.0889 PRESSAVG: 2706600 4.09024 -6.91467 -43.3442 -6.91466 -35.3577 -8.94351 -43.3442 -8.94346 17.3545 GPRESSAVG: 2706600 3.56633 -8.81724 -43.1889 -6.12932 -36.1745 -9.25703 -41.6678 -9.61832 18.8245 TIMING: 2706600 CPU: 7843.51, 0.00288998/step Wall: 7843.51, 0.00288998/step, 1.84108 hours remaining, 210.035156 MB of memory in use. ENERGY: 2706600 740.5885 2051.6525 1933.4927 119.0569 -206098.2476 17689.1701 0.0000 0.0000 34422.6199 -149141.6670 300.6213 -183564.2869 -149050.9440 299.9031 -77.6497 -44.3614 557942.4793 -4.6377 -4.5945 PRESSURE: 2706800 -115.03 35.5309 -17.6545 35.5301 219.566 27.8965 -17.6547 27.8963 32.111 GPRESSURE: 2706800 -104.834 18.4904 -3.406 -5.80203 286.094 22.306 -120.311 30.2789 50.6906 PRESSAVG: 2706800 -3.76643 -29.7918 -55.0607 -29.7918 20.7387 11.8933 -55.0606 11.8933 -35.5839 GPRESSAVG: 2706800 -3.67082 -31.2479 -56.1799 -27.372 21.2365 13.957 -55.4769 12.4581 -36.5826 TIMING: 2706800 CPU: 7844.09, 0.0028772/step Wall: 7844.09, 0.0028772/step, 1.83278 hours remaining, 210.035156 MB of memory in use. ENERGY: 2706800 732.6683 2021.8616 1958.0582 114.2747 -206263.9916 17889.4653 0.0000 0.0000 34490.3602 -149057.3033 301.2129 -183547.6635 -148968.6055 299.6725 45.5492 77.3171 558085.6750 -6.2039 -6.3390 PRESSURE: 2707000 -307.845 2.69005 -30.2115 2.69019 -51.76 164.482 -30.2105 164.483 -27.6932 GPRESSURE: 2707000 -304.007 -29.9922 -88.9503 15.7145 -27.1875 184.717 35.9426 140.957 33.5935 PRESSAVG: 2707000 -8.82016 43.0527 -43.8219 43.0527 64.1313 11.4528 -43.8221 11.4527 -12.8463 GPRESSAVG: 2707000 -9.42538 45.4159 -43.6254 40.0467 64.1197 9.93209 -45.5721 11.9341 -12.7551 TIMING: 2707000 CPU: 7844.67, 0.00289481/step Wall: 7844.67, 0.00289481/step, 1.84383 hours remaining, 210.035156 MB of memory in use. ENERGY: 2707000 735.3124 2107.7261 1941.2092 119.6532 -205910.7965 17674.6284 0.0000 0.0000 34350.3557 -148981.9115 299.9902 -183332.2673 -148881.9997 299.8799 -129.0993 -99.2004 559192.0451 14.1549 13.9797 PRESSURE: 2707200 -90.8764 -88.5639 -39.5952 -88.5645 -53.2978 -180.734 -39.5945 -180.735 -247.301 GPRESSURE: 2707200 -80.3668 -171.378 -62.6146 -98.4397 -39.1508 -157.018 -23.5303 -150.83 -176.693 PRESSAVG: 2707200 -21.3557 19.0434 14.2844 19.0433 47.1691 -0.186141 14.2844 -0.186217 18.3753 GPRESSAVG: 2707200 -21.7606 18.5291 16.4518 20.4159 47.3468 -1.4067 16.6615 0.956756 18.0445 TIMING: 2707200 CPU: 7845.25, 0.0028789/step Wall: 7845.25, 0.0028789/step, 1.83354 hours remaining, 210.035156 MB of memory in use. ENERGY: 2707200 766.1585 2100.2044 1936.0286 121.4152 -206049.5732 17793.7361 0.0000 0.0000 34382.0802 -148949.9502 300.2673 -183332.0304 -148851.7374 300.5729 -130.4917 -98.7368 559797.3937 14.7296 14.5436 PRESSURE: 2707400 -13.0858 -137.61 -64.1478 -137.611 324.551 5.73384 -64.1471 5.73293 5.20902 GPRESSURE: 2707400 36.1972 -173.68 -68.5868 -136.026 400.01 60.26 -63.0476 -44.1076 -33.6433 PRESSAVG: 2707400 -42.4247 1.79787 50.951 1.79782 101.671 -56.9482 50.9509 -56.9482 -23.5785 GPRESSAVG: 2707400 -41.3045 2.70702 49.2743 1.27829 101.594 -55.4084 48.5534 -57.2079 -23.8095 TIMING: 2707400 CPU: 7845.82, 0.00287802/step Wall: 7845.82, 0.00287802/step, 1.83282 hours remaining, 210.035156 MB of memory in use. ENERGY: 2707400 760.3987 2072.9018 1969.1427 105.7455 -206250.8147 17919.7269 0.0000 0.0000 34306.3917 -149116.5074 299.6063 -183422.8991 -149013.4273 299.1558 105.5579 134.1881 557885.0967 11.8894 12.1599 PRESSURE: 2707600 223.714 -143.61 128.807 -143.611 191.3 142.351 128.807 142.35 312.432 GPRESSURE: 2707600 247.954 -14.0237 116.728 -157.934 179.199 109.893 125.455 101.681 388.305 PRESSAVG: 2707600 -38.7879 18.1968 -11.6841 18.1968 84.6311 21.2351 -11.6842 21.235 -43.1467 GPRESSAVG: 2707600 -38.8479 16.8715 -11.2858 19.5375 84.153 19.8828 -11.8224 20.5432 -42.6894 TIMING: 2707600 CPU: 7846.4, 0.00290891/step Wall: 7846.4, 0.00290891/step, 1.85233 hours remaining, 210.035156 MB of memory in use. ENERGY: 2707600 745.0410 2056.9696 1963.8719 109.7024 -206306.8068 18111.5489 0.0000 0.0000 34217.4520 -149102.2209 298.8295 -183319.6729 -149008.5405 299.1458 242.4819 271.8194 557803.6841 0.8988 0.8719 PRESSURE: 2707800 313.597 -4.55456 39.6757 -4.55289 25.0443 31.1143 39.6763 31.1156 76.3243 GPRESSURE: 2707800 344.725 -36.6953 -5.85406 13.4844 20.3114 68.1921 59.0921 -14.5791 140.674 PRESSAVG: 2707800 9.27147 11.2721 77.0916 11.2721 -44.6419 21.8244 77.0916 21.8244 63.1397 GPRESSAVG: 2707800 9.46218 13.7309 78.1081 8.51588 -45.3856 21.789 76.6615 20.4409 63.5457 TIMING: 2707800 CPU: 7846.98, 0.00288791/step Wall: 7846.98, 0.00288791/step, 1.8388 hours remaining, 210.035156 MB of memory in use. ENERGY: 2707800 749.9547 2052.9317 1958.5964 120.9230 -206517.7351 18161.8597 0.0000 0.0000 34210.7167 -149262.7529 298.7707 -183473.4696 -149170.4955 299.9517 138.3218 168.5701 557258.4156 9.2564 9.2074 PRESSURE: 2708000 -11.7795 80.9486 15.7531 80.9488 -56.9425 194.668 15.7534 194.668 -60.5414 GPRESSURE: 2708000 45.4038 154.303 -64.7446 -18.9343 -9.80856 157.261 -0.712034 295.094 -64.8461 PRESSAVG: 2708000 0.961446 26.9345 -7.59252 26.9345 14.3787 11.1456 -7.59245 11.1454 59.3348 GPRESSAVG: 2708000 0.234824 23.9249 -9.55288 29.5087 15.0963 12.1265 -4.88854 13.3001 59.4221 TIMING: 2708000 CPU: 7847.56, 0.00289187/step Wall: 7847.56, 0.00289187/step, 1.84116 hours remaining, 210.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2708000 753.0123 2082.4278 1974.2867 111.0179 -206211.5952 17732.8513 0.0000 0.0000 34183.4491 -149374.5501 298.5326 -183557.9992 -149279.5834 299.4717 -43.0878 -9.7503 557260.8998 24.8916 24.9177 PRESSURE: 2708200 -47.992 -174.397 -11.1291 -174.397 -154.843 -16.7696 -11.1285 -16.7695 -97.668 GPRESSURE: 2708200 -48.9949 -191.717 -99.1332 -137.65 -101.141 -204.496 112.83 20.0761 -47.1773 PRESSAVG: 2708200 -16.6833 -14.2976 -19.9165 -14.2976 5.47496 31.9978 -19.9165 31.9977 19.3719 GPRESSAVG: 2708200 -16.0458 -15.3901 -19.2144 -12.086 5.7174 30.0911 -19.7065 32.1534 18.5625 TIMING: 2708200 CPU: 7848.14, 0.00289219/step Wall: 7848.14, 0.00289219/step, 1.8412 hours remaining, 210.035156 MB of memory in use. ENERGY: 2708200 754.4302 2072.5692 1984.4877 100.6990 -205816.7516 17658.1581 0.0000 0.0000 34051.1788 -149195.2286 297.3774 -183246.4074 -149094.7676 298.8775 -100.1677 -65.7711 557324.8151 2.7212 2.7447 LDB: ============= START OF LOAD BALANCING ============== 7851.52 LDB: ============== END OF LOAD BALANCING =============== 7851.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7851.52 LDB: ============= START OF LOAD BALANCING ============== 7851.81 LDB: Largest compute 4820 load 0.028498 is 24.2% of average load 0.117917 LDB: Average compute 0.001752 is 1.5% of average load 0.117917 LDB: TIME 7851.81 LOAD: AVG 0.117917 MAX 0.179342 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.262 MB LDB: TIME 7851.81 LOAD: AVG 0.117917 MAX 0.179342 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.367 MB LDB: TIME 7851.81 LOAD: AVG 0.117917 MAX 0.179342 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.367 MB LDB: ============== END OF LOAD BALANCING =============== 7851.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7851.82 PRESSURE: 2708400 -261.481 55.5578 -249.925 55.5582 43.7617 -66.6939 -249.927 -66.6949 -280.79 GPRESSURE: 2708400 -206.659 -5.08068 -184.002 114.022 41.8579 -123.229 -250.132 -5.15688 -227.192 PRESSAVG: 2708400 31.5717 -30.7461 -32.9922 -30.7461 44.2523 -8.99585 -32.9921 -8.99588 3.88105 GPRESSAVG: 2708400 31.451 -29.671 -32.0553 -32.873 44.1424 -7.134 -34.26 -10.603 4.34809 TIMING: 2708400 CPU: 7848.73, 0.00294118/step Wall: 7848.73, 0.00294118/step, 1.87223 hours remaining, 208.957031 MB of memory in use. ENERGY: 2708400 746.1598 2104.1631 1958.9985 116.5011 -206201.0331 17682.2766 0.0000 0.0000 34281.7825 -149311.1516 299.3913 -183592.9341 -149206.1386 299.1749 -166.1699 -130.6646 559163.3611 26.5683 26.6472 PRESSURE: 2708600 -243.452 -81.3324 -42.0101 -81.3329 -205.121 -79.247 -42.01 -79.2483 -39.6836 GPRESSURE: 2708600 -245.418 -21.3314 -90.0753 -95.7933 -120.342 -110.339 -37.5034 -60.6372 -26.4651 PRESSAVG: 2708600 -78.2804 -14.0807 2.15442 -14.0808 46.5663 -1.31462 2.15439 -1.31458 6.58105 GPRESSAVG: 2708600 -78.2264 -12.154 2.23715 -15.2229 46.4537 -1.37979 0.900896 -0.912695 6.30105 TIMING: 2708600 CPU: 7849.3, 0.00289162/step Wall: 7849.3, 0.00289162/step, 1.84052 hours remaining, 209.027344 MB of memory in use. ENERGY: 2708600 738.4520 2125.9509 1984.5043 119.4123 -206017.1985 17498.8945 0.0000 0.0000 34231.2346 -149318.7500 298.9499 -183549.9846 -149219.5412 299.0212 -162.7524 -130.7417 556598.0733 -8.3777 -8.4905 PRESSURE: 2708800 -51.0527 -46.5689 -69.0919 -46.5688 105.364 -56.9148 -69.0925 -56.9137 25.4838 GPRESSURE: 2708800 -26.887 70.5488 -82.2662 -75.4866 87.6963 50.9815 41.2467 -52.3216 106.83 PRESSAVG: 2708800 -69.7502 -4.54352 -50.8237 -4.54351 53.005 -52.2449 -50.8236 -52.2449 42.9258 GPRESSAVG: 2708800 -71.1341 -4.52766 -52.2521 -3.33888 53.0812 -51.7862 -48.3496 -52.7392 44.5044 TIMING: 2708800 CPU: 7849.88, 0.00288346/step Wall: 7849.88, 0.00288346/step, 1.83516 hours remaining, 209.027344 MB of memory in use. ENERGY: 2708800 764.9497 2102.5065 1988.8507 114.1598 -206571.5221 17958.3911 0.0000 0.0000 34298.9091 -149343.7552 299.5409 -183642.6643 -149246.2628 299.8425 26.5983 55.8799 556314.3400 8.7268 8.8172 PRESSURE: 2709000 -236.396 19.529 120.028 19.5286 -112.514 116.042 120.026 116.041 -87.6298 GPRESSURE: 2709000 -188.023 35.7714 168.354 -12.4588 -162.947 110.119 51.1416 175.888 17.0377 PRESSAVG: 2709000 -11.5036 32.1925 -9.61422 32.1924 36.3683 7.21789 -9.61427 7.21802 -0.963152 GPRESSAVG: 2709000 -10.6819 31.0962 -7.32181 32.9112 35.0785 6.10279 -10.1405 9.54822 -0.666809 TIMING: 2709000 CPU: 7850.46, 0.00288854/step Wall: 7850.46, 0.00288854/step, 1.83824 hours remaining, 209.027344 MB of memory in use. ENERGY: 2709000 768.6833 2113.9101 1943.0611 114.1546 -206105.6764 17724.2120 0.0000 0.0000 34118.8120 -149322.8432 297.9681 -183441.6552 -149222.6409 299.3672 -145.5132 -111.3110 556618.3227 7.9672 7.9099 PRESSURE: 2709200 105.978 17.9938 -14.3727 17.9956 5.70332 8.77696 -14.3714 8.77831 -244.395 GPRESSURE: 2709200 156.656 18.9846 45.0689 49.8077 47.5712 -19.7025 50.5251 75.518 -241.587 PRESSAVG: 2709200 -10.7985 30.924 5.15093 30.924 17.2891 -12.4626 5.1509 -12.4626 -9.8701 GPRESSAVG: 2709200 -10.1701 31.8198 2.54814 29.8306 18.114 -8.30738 5.38147 -14.4918 -11.0953 TIMING: 2709200 CPU: 7851.04, 0.00289805/step Wall: 7851.04, 0.00289805/step, 1.84413 hours remaining, 209.027344 MB of memory in use. ENERGY: 2709200 735.0221 2117.4727 1956.6040 113.8820 -205833.5061 17604.5823 0.0000 0.0000 34064.5097 -149241.4332 297.4938 -183305.9429 -149147.5059 298.7561 -44.2378 -12.4530 555965.7502 -1.1265 -1.0505 PRESSURE: 2709400 -34.4169 13.2991 267.774 13.2988 82.3426 -56.7124 267.775 -56.7124 -184.8 GPRESSURE: 2709400 44.5714 34.1882 218.576 77.0833 47.746 -52.3841 233.597 -46.7133 -142.577 PRESSAVG: 2709400 10.8157 108.778 7.02062 108.778 4.18783 34.2704 7.0206 34.2701 -44.0466 GPRESSAVG: 2709400 11.0446 108.726 8.02358 107.856 3.31165 30.4192 8.52092 35.6254 -43.7769 TIMING: 2709400 CPU: 7851.62, 0.0029209/step Wall: 7851.62, 0.0029209/step, 1.8585 hours remaining, 209.027344 MB of memory in use. ENERGY: 2709400 742.9865 2125.9352 1962.3415 122.1654 -206297.2585 17793.2184 0.0000 0.0000 34537.0333 -149013.5781 301.6205 -183550.6115 -148915.3082 299.8352 -45.6248 -16.7532 556803.1988 -9.6810 -9.8069 PRESSURE: 2709600 148.48 70.558 89.1562 70.5577 11.9346 -287.672 89.1556 -287.672 104.415 GPRESSURE: 2709600 140.292 14.9432 83.3668 6.27073 150.117 -364.921 129.196 -227.331 73.3797 PRESSAVG: 2709600 14.5725 48.3747 67.2958 48.3748 -11.1583 -30.0586 67.2958 -30.0587 1.41961 GPRESSAVG: 2709600 12.6265 46.7922 64.5749 48.8634 -8.70006 -28.7756 64.7961 -30.538 0.969056 TIMING: 2709600 CPU: 7852.21, 0.0029319/step Wall: 7852.21, 0.0029319/step, 1.86534 hours remaining, 209.027344 MB of memory in use. ENERGY: 2709600 708.3171 2097.5093 1985.2057 101.3932 -206121.6144 17800.1741 0.0000 0.0000 34375.9500 -149053.0650 300.2137 -183429.0151 -148954.6329 299.4517 88.2764 121.2626 556124.6038 1.6113 1.6318 PRESSURE: 2709800 362.321 157.612 -58.7096 157.614 67.9297 122.427 -58.7102 122.428 136.76 GPRESSURE: 2709800 419.338 274.863 29.4466 30.1502 63.2801 147.606 -80.9924 113.762 184.074 PRESSAVG: 2709800 71.3209 -9.74485 19.0598 -9.74486 -49.728 -26.9323 19.0598 -26.9323 -29.5508 GPRESSAVG: 2709800 72.8418 -10.1186 20.1778 -10.4467 -51.3872 -27.1417 18.7494 -26.5414 -29.3669 TIMING: 2709800 CPU: 7852.79, 0.00291169/step Wall: 7852.79, 0.00291169/step, 1.85232 hours remaining, 209.027344 MB of memory in use. ENERGY: 2709800 716.3225 2086.6288 1973.5131 121.2343 -205959.1442 17960.5657 0.0000 0.0000 34118.2089 -148982.6709 297.9628 -183100.8798 -148885.0631 299.0511 189.0036 222.2309 555781.5571 -2.6526 -2.6374 PRESSURE: 2710000 12.6448 -53.6784 91.4458 -53.6785 -36.8077 -171.259 91.4457 -171.259 -91.119 GPRESSURE: 2710000 39.1388 -32.3395 90.3419 -72.8191 -6.40841 -166.924 81.9903 -211.58 -49.8924 PRESSAVG: 2710000 48.5813 34.0295 24.4324 34.0296 -28.994 -13.973 24.4324 -13.9728 -14.8093 GPRESSAVG: 2710000 47.2378 35.868 25.9313 33.4351 -29.0522 -14.0707 23.9052 -14.4404 -13.408 TIMING: 2710000 CPU: 7853.37, 0.00288924/step Wall: 7853.37, 0.00288924/step, 1.83788 hours remaining, 209.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2710000 748.4059 2102.0786 1944.5540 109.3214 -205805.7358 17571.5659 0.0000 0.0000 34324.5662 -149005.2438 299.7650 -183329.8100 -148909.7783 299.5369 -38.4273 -5.7207 555970.4032 1.5927 1.5926 PRESSURE: 2710200 234.251 185.703 47.7842 185.704 8.77498 -132.489 47.7847 -132.489 -43.413 GPRESSURE: 2710200 240.088 159.864 38.1983 219.17 68.2992 -174.202 43.5917 -50.8058 -3.42923 PRESSAVG: 2710200 -9.81025 -12.057 40.4509 -12.057 1.26553 36.3117 40.451 36.3116 -31.323 GPRESSAVG: 2710200 -9.00207 -13.8137 40.2251 -10.1645 1.16886 37.0998 41.1926 36.3005 -32.3572 TIMING: 2710200 CPU: 7853.95, 0.00289313/step Wall: 7853.95, 0.00289313/step, 1.84019 hours remaining, 209.027344 MB of memory in use. ENERGY: 2710200 731.4057 2123.3308 1943.3962 110.4587 -206069.8252 17771.2695 0.0000 0.0000 34251.8453 -149138.1190 299.1299 -183389.9643 -149044.1272 299.5648 66.5377 101.6528 556201.3205 -13.2893 -13.3968 PRESSURE: 2710400 31.9006 -55.4352 -41.7017 -55.435 145.056 73.2756 -41.7026 73.275 405.729 GPRESSURE: 2710400 78.3421 26.9166 -91.3715 -107.692 196.389 87.1616 52.875 33.1303 404.928 PRESSAVG: 2710400 -2.64475 29.155 -17.2191 29.1551 3.06912 23.3546 -17.2191 23.3547 -2.74958 GPRESSAVG: 2710400 -3.38494 29.8999 -19.0041 27.6367 3.91191 22.094 -14.8419 23.4375 -3.21258 TIMING: 2710400 CPU: 7854.53, 0.00289349/step Wall: 7854.53, 0.00289349/step, 1.84026 hours remaining, 209.027344 MB of memory in use. ENERGY: 2710400 753.9252 2066.3476 1976.4993 121.4432 -206524.0678 18146.0296 0.0000 0.0000 34253.2568 -149206.5660 299.1422 -183459.8229 -149114.8207 300.1748 194.2287 226.5529 555625.0663 -0.7751 -0.8952 PRESSURE: 2710600 -33.0002 -10.834 -141.868 -10.834 -82.3068 36.9461 -141.868 36.9464 -79.9158 GPRESSURE: 2710600 -41.1853 -37.2416 -124.927 -28.3919 -30.0942 17.3581 -47.666 84.8332 -17.9101 PRESSAVG: 2710600 -10.1529 1.021 -36.8821 1.02108 47.5854 23.6592 -36.8821 23.6593 10.1741 GPRESSAVG: 2710600 -11.3083 2.43192 -35.1446 1.66377 48.1406 25.0165 -38.0117 21.4864 10.9161 TIMING: 2710600 CPU: 7855.1, 0.00288097/step Wall: 7855.1, 0.00288098/step, 1.83214 hours remaining, 209.027344 MB of memory in use. ENERGY: 2710600 741.8168 2086.1856 1940.5085 124.2793 -206115.0177 17737.7612 0.0000 0.0000 34300.8646 -149183.6016 299.5580 -183484.4663 -149092.2783 299.3931 -65.0743 -29.7299 556819.2446 15.8689 15.9161 PRESSURE: 2710800 -332.379 -106.111 5.20361 -106.111 -73.0799 -35.0611 5.20438 -35.0608 -234.169 GPRESSURE: 2710800 -303.452 -74.3564 32.4528 -95.392 -46.1158 -57.7064 -10.4114 16.1851 -194.832 PRESSAVG: 2710800 -9.73225 -10.4387 -12.4499 -10.4387 40.1103 -6.87164 -12.4499 -6.87178 -2.25499 GPRESSAVG: 2710800 -8.52394 -8.62634 -15.4039 -9.50548 39.8945 -8.35434 -12.7739 -4.576 -2.87349 TIMING: 2710800 CPU: 7855.68, 0.00287294/step Wall: 7855.68, 0.00287294/step, 1.82687 hours remaining, 209.027344 MB of memory in use. ENERGY: 2710800 734.1442 2049.1593 1956.5138 110.9667 -205767.9830 17284.2743 0.0000 0.0000 34259.4396 -149373.4851 299.1962 -183632.9247 -149274.8254 299.2869 -213.2090 -181.4667 556603.1578 9.3744 9.4990 PRESSURE: 2711000 3.3415 31.7361 39.0398 31.7361 29.986 -107.297 39.0394 -107.297 -76.9621 GPRESSURE: 2711000 63.4893 8.22036 18.5255 -77.6832 41.0948 -84.2467 31.2882 -129.549 -29.0692 PRESSAVG: 2711000 -4.97515 -61.4152 -1.49292 -61.4153 100.266 9.17759 -1.49299 9.17751 -40.1074 GPRESSAVG: 2711000 -5.94799 -63.4946 -0.516202 -60.6514 100.211 10.0411 -2.9094 6.71307 -39.3337 TIMING: 2711000 CPU: 7856.25, 0.00288077/step Wall: 7856.25, 0.00288077/step, 1.83169 hours remaining, 209.027344 MB of memory in use. ENERGY: 2711000 729.5703 2058.1721 1939.2466 117.9094 -206076.0885 17742.2535 0.0000 0.0000 34203.4997 -149285.4368 298.7077 -183488.9365 -149194.3244 298.9454 -14.5449 25.1716 556729.6010 18.3946 18.3096 PRESSURE: 2711200 219.327 -133.162 90.8834 -133.163 -12.3438 25.2686 90.8848 25.267 -219.191 GPRESSURE: 2711200 229.846 -129.955 87.6368 -50.0993 9.92466 79.1487 62.7194 1.57354 -154.382 PRESSAVG: 2711200 65.8883 -23.3366 -17.3954 -23.3367 13.5448 19.8857 -17.3954 19.8855 0.839261 GPRESSAVG: 2711200 67.0746 -24.5181 -16.1343 -25.5247 12.1038 18.5961 -16.2253 23.3971 0.97732 TIMING: 2711200 CPU: 7856.83, 0.00289262/step Wall: 7856.83, 0.00289262/step, 1.83907 hours remaining, 209.027344 MB of memory in use. ENERGY: 2711200 745.2215 2087.9078 1942.8772 116.0319 -206282.0224 17767.4977 0.0000 0.0000 34361.8074 -149260.6789 300.0902 -183622.4864 -149164.2992 299.3004 -4.0695 28.4629 557675.4449 26.7574 26.7186 PRESSURE: 2711400 -66.3314 -40.0477 48.9786 -40.0477 -230.288 87.5569 48.9791 87.5552 -170.499 GPRESSURE: 2711400 -12.1296 -155.787 -29.9838 -74.1334 -187.242 118.574 60.0325 32.3127 -168.213 PRESSAVG: 2711400 16.6091 4.7215 -51.971 4.72161 23.9692 -17.0395 -51.9709 -17.0394 -68.1201 GPRESSAVG: 2711400 16.2308 7.52272 -53.5147 5.1189 24.3293 -17.3959 -51.7317 -19.634 -68.5724 TIMING: 2711400 CPU: 7857.42, 0.00292329/step Wall: 7857.42, 0.00292329/step, 1.8584 hours remaining, 209.027344 MB of memory in use. ENERGY: 2711400 759.8838 2112.6061 1946.6851 103.9279 -206130.6007 17764.7898 0.0000 0.0000 34106.1020 -149336.6059 297.8571 -183442.7080 -149236.7199 298.9331 -155.7061 -122.5284 557608.9317 -9.1806 -9.3374 PRESSURE: 2711600 -259.989 18.2875 -123.505 18.2874 32.8024 84.2425 -123.504 84.2414 -148.607 GPRESSURE: 2711600 -167.96 -66.3451 -90.4842 98.3298 24.2559 94.724 -78.0289 66.2354 -127.285 PRESSAVG: 2711600 -23.4833 -0.795148 28.3141 -0.79505 34.5913 25.4439 28.3142 25.4438 -10.882 GPRESSAVG: 2711600 -23.4718 -4.14708 31.1565 0.257112 34.6352 26.0196 26.5932 25.6059 -11.0973 TIMING: 2711600 CPU: 7857.99, 0.00288643/step Wall: 7857.99, 0.00288643/step, 1.8348 hours remaining, 209.027344 MB of memory in use. ENERGY: 2711600 740.4985 2055.6222 1919.9963 109.3884 -206328.4014 17749.1109 0.0000 0.0000 34382.4833 -149371.3017 300.2708 -183753.7851 -149277.2189 298.8473 -125.2643 -90.3295 557607.9601 0.0754 0.0220 PRESSURE: 2711800 104.653 110.693 -184.271 110.693 211.338 -107.778 -184.27 -107.778 21.9918 GPRESSURE: 2711800 145.039 184.121 -242.16 18.7181 261.407 -61.2506 -152.099 -89.7763 16.355 PRESSAVG: 2711800 -24.6989 15.2986 -10.921 15.2986 77.2055 35.0437 -10.9208 35.0439 -60.9308 GPRESSAVG: 2711800 -25.6238 18.4447 -12.5149 12.8689 77.4536 33.9964 -10.5649 36.5433 -60.4042 TIMING: 2711800 CPU: 7858.57, 0.00289943/step Wall: 7858.57, 0.00289943/step, 1.84291 hours remaining, 209.027344 MB of memory in use. ENERGY: 2711800 750.9855 2044.1847 1925.5400 102.1907 -206531.2076 18033.4230 0.0000 0.0000 34216.9280 -149457.9556 298.8249 -183674.8837 -149365.3285 298.8095 112.6612 140.9336 556970.4643 -2.8081 -2.8581 PRESSURE: 2712000 -161.882 177.077 -14.9922 177.077 -101.864 -26.5048 -14.9923 -26.507 118.764 GPRESSURE: 2712000 -165.467 132.433 64.2378 161.956 -25.551 -12.7238 -71.5466 -27.6112 149.536 PRESSAVG: 2712000 -35.1413 32.4897 8.622 32.4898 74.1088 38.6151 8.62192 38.6151 -11.8711 GPRESSAVG: 2712000 -34.1876 31.2964 8.56399 32.0244 73.2832 41.2881 9.84883 38.5619 -12.2798 TIMING: 2712000 CPU: 7859.15, 0.00290004/step Wall: 7859.15, 0.00290004/step, 1.84314 hours remaining, 209.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2712000 734.4144 2031.7223 1962.8492 119.1520 -206223.1641 17681.9941 0.0000 0.0000 34222.0129 -149471.0191 298.8694 -183693.0320 -149369.4590 299.2776 -48.3273 -13.8272 555660.9528 9.0321 8.9386 PRESSURE: 2712200 -82.9869 16.4678 94.6716 16.4663 -358.547 -35.0679 94.6717 -35.0669 227.661 GPRESSURE: 2712200 -16.4246 87.968 -4.91152 9.29432 -290.06 -54.8495 129.638 46.2776 192.939 PRESSAVG: 2712200 -79.5454 26.3778 -5.13338 26.3779 8.86884 55.1438 -5.1334 55.1438 26.9931 GPRESSAVG: 2712200 -79.3208 25.2618 -5.10676 27.3702 9.12986 53.6024 -5.32311 56.5433 26.4794 TIMING: 2712200 CPU: 7859.73, 0.00289674/step Wall: 7859.73, 0.00289674/step, 1.84088 hours remaining, 209.027344 MB of memory in use. ENERGY: 2712200 743.5967 2056.1995 1942.8605 110.8522 -206268.0352 17771.6240 0.0000 0.0000 34128.3451 -149514.5571 298.0513 -183642.9022 -149415.1705 298.8081 -71.2912 -37.8486 557646.0839 -14.5612 -14.5705 LDB: ============= START OF LOAD BALANCING ============== 7863.12 LDB: ============== END OF LOAD BALANCING =============== 7863.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7863.12 LDB: ============= START OF LOAD BALANCING ============== 7863.41 LDB: Largest compute 4820 load 0.027075 is 23.0% of average load 0.117892 LDB: Average compute 0.001749 is 1.5% of average load 0.117892 LDB: TIME 7863.41 LOAD: AVG 0.117892 MAX 0.181879 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.988 MB LDB: TIME 7863.42 LOAD: AVG 0.117892 MAX 0.181879 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: TIME 7863.42 LOAD: AVG 0.117892 MAX 0.181879 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: ============== END OF LOAD BALANCING =============== 7863.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7863.42 PRESSURE: 2712400 32.5406 150.505 -70.8617 150.506 120.019 11.6038 -70.862 11.6044 -48.9667 GPRESSURE: 2712400 82.2765 60.7836 -103.414 129.75 132.402 152.729 -79.3977 -20.9873 -11.0507 PRESSAVG: 2712400 -57.612 46.0958 16.5823 46.0959 13.9853 68.4592 16.5823 68.4593 70.1426 GPRESSAVG: 2712400 -57.8666 47.4224 15.6606 45.2688 14.0221 68.9997 15.9496 67.6754 70.1738 TIMING: 2712400 CPU: 7860.33, 0.00297182/step Wall: 7860.33, 0.00297182/step, 1.88843 hours remaining, 208.234375 MB of memory in use. ENERGY: 2712400 716.4721 2118.7335 1958.0416 119.4546 -206169.0419 17747.7909 0.0000 0.0000 34338.0217 -149170.5276 299.8825 -183508.5493 -149082.4856 299.2992 34.5309 67.8759 558472.4228 8.8386 8.7764 PRESSURE: 2712600 30.6801 -5.33379 -190.062 -5.33266 5.59752 226.09 -190.062 226.088 130.08 GPRESSURE: 2712600 82.5511 15.0838 -55.9793 -13.5878 -6.49566 220.654 -200.299 168.594 187.421 PRESSAVG: 2712600 -9.73702 -2.88824 53.7915 -2.88819 24.0724 80.2894 53.7915 80.2895 -34.061 GPRESSAVG: 2712600 -9.78087 -2.60538 56.7078 -1.40178 22.9666 80.3275 53.9976 82.1548 -33.2078 TIMING: 2712600 CPU: 7860.91, 0.00291259/step Wall: 7860.91, 0.00291259/step, 1.85062 hours remaining, 208.234375 MB of memory in use. ENERGY: 2712600 749.0216 2110.4962 1962.0219 122.3103 -206572.8848 18034.4380 0.0000 0.0000 34235.1004 -149359.4963 298.9836 -183594.5966 -149263.1345 299.7543 55.4524 87.8256 556601.9473 -6.5752 -6.6741 PRESSURE: 2712800 8.44222 -134.077 -85.3282 -134.077 56.6687 -82.0409 -85.3286 -82.0398 -43.3865 GPRESSURE: 2712800 15.7142 -215.424 -64.4755 -109.351 123.696 -94.2281 -90.2548 -70.811 -18.6726 PRESSAVG: 2712800 1.37657 -5.36119 3.44341 -5.36118 -35.4252 7.53634 3.44336 7.53635 13.6764 GPRESSAVG: 2712800 2.21741 -6.36607 1.67878 -3.64012 -34.1558 8.83102 5.21481 6.61966 11.7746 TIMING: 2712800 CPU: 7861.49, 0.0029012/step Wall: 7861.49, 0.0029012/step, 1.84323 hours remaining, 208.234375 MB of memory in use. ENERGY: 2712800 743.8410 2111.3405 1930.6951 117.4383 -206185.5377 17627.1995 0.0000 0.0000 34148.0558 -149506.9676 298.2235 -183655.0233 -149417.8970 299.2302 7.2415 40.2458 555991.8676 -6.7907 -6.7213 PRESSURE: 2713000 -98.3635 -8.50078 -30.0731 -8.4993 -131.994 -27.0646 -30.0739 -27.0657 8.54682 GPRESSURE: 2713000 -25.9385 20.7493 118.852 -68.2342 -83.0281 25.4561 -94.5487 -70.4622 -11.4861 PRESSAVG: 2713000 -13.0642 -1.65871 15.2499 -1.65867 -20.378 -25.5312 15.2499 -25.5312 62.3715 GPRESSAVG: 2713000 -14.3949 -2.84124 15.9181 -1.76722 -19.8727 -26.3796 14.5933 -26.3039 63.0833 TIMING: 2713000 CPU: 7862.07, 0.00289534/step Wall: 7862.07, 0.00289534/step, 1.83934 hours remaining, 208.234375 MB of memory in use. ENERGY: 2713000 770.2558 2045.7827 1913.7546 105.2516 -206460.1758 17650.5210 0.0000 0.0000 34474.6999 -149499.9102 301.0761 -183974.6101 -149402.2448 298.7402 -73.9370 -40.1509 556163.1483 9.6431 9.6052 PRESSURE: 2713200 35.6444 85.2669 -58.2561 85.2671 114.732 -84.2895 -58.2563 -84.2897 -116.977 GPRESSURE: 2713200 99.9543 49.7381 -62.0615 112.114 153.178 -63.3223 -103.169 -54.7685 -109.186 PRESSAVG: 2713200 -79.2166 28.2278 44.8146 28.2279 62.0308 -11.0926 44.8146 -11.0926 -8.29399 GPRESSAVG: 2713200 -78.7029 30.007 46.0223 25.6465 61.1951 -11.3044 43.9706 -10.3409 -7.63728 TIMING: 2713200 CPU: 7862.65, 0.00289231/step Wall: 7862.65, 0.00289231/step, 1.83726 hours remaining, 208.234375 MB of memory in use. ENERGY: 2713200 733.3401 2103.4724 1963.5592 108.8319 -206306.8843 17753.7606 0.0000 0.0000 34198.3757 -149445.5444 298.6629 -183643.9201 -149351.9948 298.4880 11.1331 47.9819 555875.6502 -8.4932 -8.3817 PRESSURE: 2713400 92.1991 85.6141 -75.205 85.6146 73.28 33.7301 -75.2059 33.7323 15.1914 GPRESSURE: 2713400 110.409 50.1316 -35.914 134.931 137.576 -3.53204 -87.8393 52.8572 42.7449 PRESSAVG: 2713400 -11.7509 -21.2471 -23.3176 -21.2471 38.4517 11.859 -23.3177 11.8589 -2.51341 GPRESSAVG: 2713400 -12.1897 -21.6744 -24.7866 -19.6946 38.6187 12.1714 -25.0034 10.6378 -2.1661 TIMING: 2713400 CPU: 7863.22, 0.00288714/step Wall: 7863.22, 0.00288714/step, 1.83382 hours remaining, 208.234375 MB of memory in use. ENERGY: 2713400 726.5251 2100.8631 1971.4484 116.8303 -206367.6078 17858.7830 0.0000 0.0000 34197.6736 -149395.4843 298.6568 -183593.1579 -149299.9833 299.3082 60.2235 96.9099 555708.2103 8.0625 8.0877 PRESSURE: 2713600 -44.4255 95.2057 105.76 95.2054 -75.2982 9.6095 105.76 9.60939 69.9977 GPRESSURE: 2713600 1.45587 147.083 97.5432 130.442 -6.77367 -21.2106 162.692 -19.3789 56.7828 PRESSAVG: 2713600 -23.8064 -45.9721 -7.0294 -45.9722 43.6372 -10.6428 -7.02944 -10.6428 -1.09982 GPRESSAVG: 2713600 -23.1923 -46.0098 -6.87103 -46.2359 43.5705 -11.9842 -5.4232 -9.84943 -1.31877 TIMING: 2713600 CPU: 7863.81, 0.00291953/step Wall: 7863.81, 0.00291953/step, 1.85422 hours remaining, 208.234375 MB of memory in use. ENERGY: 2713600 731.7560 2065.2791 1956.8518 98.3924 -206442.0685 17744.5413 0.0000 0.0000 34266.3789 -149578.8690 299.2568 -183845.2479 -149483.1801 298.4492 -16.5753 17.1550 555435.2078 6.2437 6.3531 PRESSURE: 2713800 -150.917 16.8591 4.60296 16.8593 90.5249 40.3067 4.6039 40.3062 -81.9342 GPRESSURE: 2713800 -117.716 -24.2362 -109.139 22.601 141.3 37.5975 25.24 73.8142 -69.3977 PRESSAVG: 2713800 -27.7161 55.4857 66.0813 55.4857 -6.58388 63.0468 66.0812 63.0467 53.6437 GPRESSAVG: 2713800 -28.4421 55.7888 64.4748 55.8533 -6.60525 63.943 68.0131 63.2892 54.7426 TIMING: 2713800 CPU: 7864.39, 0.00288885/step Wall: 7864.39, 0.00288885/step, 1.83458 hours remaining, 208.234375 MB of memory in use. ENERGY: 2713800 782.8505 2113.0559 1933.9204 110.6501 -206538.7326 17884.1435 0.0000 0.0000 34072.6783 -149641.4339 297.5652 -183714.1122 -149547.0043 298.0977 -47.4421 -15.2714 557245.5335 6.4479 6.5651 PRESSURE: 2714000 -82.0282 -33.9831 -103.721 -33.9828 -143.923 -40.1852 -103.721 -40.186 -160.951 GPRESSURE: 2714000 -58.0223 -0.241669 -87.9719 -102.382 -145.101 -44.283 -78.3113 -28.75 -86.9546 PRESSAVG: 2714000 6.88522 11.5098 8.94465 11.5098 9.88317 13.2014 8.94462 13.2014 -39.4969 GPRESSAVG: 2714000 8.25246 11.6038 10.0898 11.3229 9.71897 15.362 8.09486 12.4151 -40.7231 TIMING: 2714000 CPU: 7864.96, 0.00287314/step Wall: 7864.96, 0.00287314/step, 1.82445 hours remaining, 208.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2714000 763.1605 2047.6267 1947.0709 122.6115 -206254.6534 17825.7260 0.0000 0.0000 34206.6992 -149341.7585 298.7356 -183548.4577 -149249.5698 298.0422 -128.9672 -96.6927 557373.3389 -7.5762 -7.5839 PRESSURE: 2714200 185.114 144.091 -55.186 144.09 70.9803 -153.494 -55.1862 -153.495 173.779 GPRESSURE: 2714200 211.459 154.529 -80.447 81.109 127.596 -71.9285 58.2302 -247.729 191.97 PRESSAVG: 2714200 41.3028 33.6557 -13.515 33.6557 -16.6301 -33.867 -13.515 -33.8671 -21.9269 GPRESSAVG: 2714200 41.576 33.2411 -12.5835 34.0198 -15.2835 -35.8082 -14.5166 -34.2226 -23.0904 TIMING: 2714200 CPU: 7865.53, 0.00286481/step Wall: 7865.53, 0.00286481/step, 1.819 hours remaining, 208.234375 MB of memory in use. ENERGY: 2714200 719.3645 2130.9503 1934.0073 109.8746 -206404.6603 18045.8109 0.0000 0.0000 34123.6807 -149340.9719 298.0106 -183464.6526 -149243.6609 298.6074 143.2913 177.0084 557447.6600 0.9153 1.0674 PRESSURE: 2714400 -98.1077 130.453 137.21 130.453 35.2256 75.3797 137.21 75.3812 -189.833 GPRESSURE: 2714400 -110.236 81.4513 170.172 152.245 102.729 142.775 75.4369 47.2359 -131.665 PRESSAVG: 2714400 54.5499 57.9077 -10.157 57.9077 -20.6778 3.58617 -10.157 3.58615 -9.02717 GPRESSAVG: 2714400 52.9367 55.707 -9.91671 59.6665 -19.9197 3.29816 -11.3878 5.2007 -8.156 TIMING: 2714400 CPU: 7866.11, 0.00288747/step Wall: 7866.11, 0.00288747/step, 1.83322 hours remaining, 208.234375 MB of memory in use. ENERGY: 2714400 788.9832 2056.9005 1956.6093 102.9549 -206166.1814 17878.8497 0.0000 0.0000 33993.5782 -149388.3056 296.8744 -183381.8837 -149286.9938 298.9626 -84.2384 -46.3907 557688.2322 8.2817 8.2870 PRESSURE: 2714600 -52.4299 -135.316 -56.9968 -135.317 -24.583 -8.87585 -56.9968 -8.8768 -282.449 GPRESSURE: 2714600 -22.6334 -130.82 -168.667 -126.942 -37.7182 6.20635 31.3774 -14.7613 -208.234 PRESSAVG: 2714600 89.7151 -8.82475 10.7746 -8.82471 -20.0557 -41.1385 10.7747 -41.1384 -24.467 GPRESSAVG: 2714600 90.4321 -6.49608 9.65477 -11.1152 -22.1669 -42.53 13.5739 -40.6029 -22.6408 TIMING: 2714600 CPU: 7866.69, 0.00288178/step Wall: 7866.69, 0.00288178/step, 1.82945 hours remaining, 208.234375 MB of memory in use. ENERGY: 2714600 777.7072 2100.8911 1937.9389 114.4993 -206523.1533 17759.4032 0.0000 0.0000 34303.0919 -149529.6218 299.5774 -183832.7137 -149427.1144 298.6620 -119.8205 -89.5286 556567.8637 15.0641 15.2081 PRESSURE: 2714800 -231.186 -26.6202 96.2656 -26.6203 -411.395 10.5812 96.2659 10.5801 7.15603 GPRESSURE: 2714800 -197.48 85.9747 103.997 -60.8175 -354.998 30.1691 52.4284 -12.1734 20.1871 PRESSAVG: 2714800 -20.8268 15.3697 28.0502 15.3697 20.4785 -54.9533 28.0501 -54.9534 4.00883 GPRESSAVG: 2714800 -21.4324 15.7061 30.676 16.6033 21.6176 -53.2737 25.3025 -55.2651 3.6122 TIMING: 2714800 CPU: 7867.26, 0.00287463/step Wall: 7867.26, 0.00287463/step, 1.82475 hours remaining, 208.234375 MB of memory in use. ENERGY: 2714800 723.8245 2108.6174 1932.3997 126.2569 -206066.9264 17558.6923 0.0000 0.0000 34147.7670 -149469.3686 298.2209 -183617.1356 -149372.0110 299.1421 -211.8082 -177.4304 558346.6250 1.2202 1.2658 PRESSURE: 2715000 -22.3338 54.4797 -45.3954 54.4794 -365.021 39.4922 -45.3953 39.4923 -354.051 GPRESSURE: 2715000 49.2873 61.7768 -152.47 69.3356 -392.315 46.2434 79.8281 -26.0443 -312.931 PRESSAVG: 2715000 43.6106 30.7994 1.39256 30.7994 -44.8902 8.46776 1.39242 8.46776 30.8018 GPRESSAVG: 2715000 44.522 31.2143 -2.50859 30.777 -45.7549 7.57574 5.11899 7.47476 30.6554 TIMING: 2715000 CPU: 7867.84, 0.00288248/step Wall: 7867.84, 0.00288248/step, 1.82957 hours remaining, 208.234375 MB of memory in use. ENERGY: 2715000 769.9941 2086.7035 1958.7299 113.9067 -206071.6465 17537.2357 0.0000 0.0000 34303.3426 -149301.7340 299.5796 -183605.0766 -149208.8028 298.9427 -247.1351 -218.6529 559115.3690 9.8407 9.8075 PRESSURE: 2715200 -53.3022 -7.88091 163.704 -7.88071 -9.89585 45.718 163.703 45.7166 -216.074 GPRESSURE: 2715200 -37.4289 -20.9033 232.069 56.1222 30.6234 1.14056 64.7641 -4.6126 -162.112 PRESSAVG: 2715200 -48.0145 50.121 23.1437 50.1211 -4.12578 30.9693 23.1437 30.9693 37.4243 GPRESSAVG: 2715200 -48.175 48.3301 24.7357 51.4453 -3.85992 32.8678 20.5675 30.5402 37.948 TIMING: 2715200 CPU: 7868.42, 0.00289893/step Wall: 7868.42, 0.00289893/step, 1.83985 hours remaining, 208.234375 MB of memory in use. ENERGY: 2715200 784.0268 2116.3959 1959.5147 100.6202 -206064.6005 17787.3669 0.0000 0.0000 34137.7990 -149178.8771 298.1339 -183316.6761 -149091.8541 299.4728 -93.0905 -56.3059 559111.5343 -4.9053 -4.6956 PRESSURE: 2715400 -298.432 12.7333 48.3112 12.7332 -163.357 -251.437 48.3098 -251.436 5.92719 GPRESSURE: 2715400 -260.421 11.2857 79.211 -2.92709 -137.347 -195.374 15.9318 -211.33 52.3616 PRESSAVG: 2715400 8.75392 14.3727 56.1517 14.3726 -45.0822 5.69712 56.1518 5.69723 19.7071 GPRESSAVG: 2715400 7.77658 15.0019 58.0436 14.7082 -44.9472 3.63143 56.0614 5.81392 20.7545 TIMING: 2715400 CPU: 7869, 0.00290294/step Wall: 7869, 0.00290294/step, 1.84224 hours remaining, 208.234375 MB of memory in use. ENERGY: 2715400 756.9332 2096.6468 1961.5800 109.4064 -205994.9979 17589.9487 0.0000 0.0000 34316.8092 -149163.6736 299.6972 -183480.4828 -149066.6920 299.7481 -151.9541 -115.1356 558598.7989 -5.5404 -5.4720 PRESSURE: 2715600 38.0387 -87.7723 -117.107 -87.7742 296.801 152.619 -117.109 152.62 54.2313 GPRESSURE: 2715600 21.6406 -105.164 -55.9625 -47.1007 344.61 145.345 -142.725 132.515 119.377 PRESSAVG: 2715600 -7.64344 15.7268 24.0215 15.7268 21.6123 40.5824 24.0215 40.5823 4.42287 GPRESSAVG: 2715600 -7.52104 16.2331 22.8418 13.8517 23.207 41.2116 26.164 41.2039 2.78167 TIMING: 2715600 CPU: 7869.58, 0.00291094/step Wall: 7869.58, 0.00291094/step, 1.84715 hours remaining, 208.234375 MB of memory in use. ENERGY: 2715600 709.4106 2106.9999 1959.9353 113.8536 -206455.7131 18124.6441 0.0000 0.0000 34107.9016 -149332.9682 297.8728 -183440.8698 -149238.2786 299.0992 129.6902 161.8758 557848.4186 6.1306 6.1559 PRESSURE: 2715800 -68.6592 53.0167 26.7054 53.0153 -101.28 18.7459 26.7044 18.7464 25.9114 GPRESSURE: 2715800 -41.2561 36.1899 69.0281 85.5624 -72.8457 24.3583 70.0686 21.1768 64.3453 PRESSAVG: 2715800 25.059 24.2212 56.064 24.2212 21.9041 61.9416 56.0641 61.9416 -3.57918 GPRESSAVG: 2715800 25.4362 23.5199 56.0427 25.3323 20.6051 60.9348 56.9886 63.9586 -2.46997 TIMING: 2715800 CPU: 7870.16, 0.0028926/step Wall: 7870.16, 0.0028926/step, 1.83535 hours remaining, 208.234375 MB of memory in use. ENERGY: 2715800 758.5439 2011.6345 1980.0253 109.4324 -206261.3528 17933.4397 0.0000 0.0000 34101.0743 -149367.2027 297.8132 -183468.2770 -149276.4299 298.9408 -48.0092 -16.5855 558895.0762 14.4613 14.5238 PRESSURE: 2716000 50.4693 -113.976 145.333 -113.976 -28.8562 -60.6682 145.332 -60.6679 152.755 GPRESSURE: 2716000 82.4012 -45.9253 96.0024 -213.383 -11.7594 -104.138 154.564 11.7113 199.334 PRESSAVG: 2716000 -26.1738 7.35677 44.9896 7.35687 -49.2133 19.6684 44.9895 19.6684 64.8053 GPRESSAVG: 2716000 -26.5021 5.56907 44.7619 9.20794 -48.3501 19.9639 43.6572 17.4589 64.1876 TIMING: 2716000 CPU: 7870.74, 0.00288252/step Wall: 7870.74, 0.00288252/step, 1.8288 hours remaining, 208.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2716000 752.8485 2099.5287 1962.3390 117.7497 -206444.1462 17986.9299 0.0000 0.0000 34047.1283 -149477.6221 297.3420 -183524.7504 -149375.6159 298.0223 58.1227 89.9919 558169.7849 -3.5273 -3.5549 PRESSURE: 2716200 2.18964 42.3974 -21.1382 42.3966 -2.82076 -24.5543 -21.1375 -24.5547 -234.986 GPRESSURE: 2716200 63.5521 -3.68981 36.1966 43.0622 -11.2667 -15.422 -60.1413 -53.9346 -181.062 PRESSAVG: 2716200 -31.445 4.34225 5.52533 4.34225 13.2933 -30.6154 5.52534 -30.6153 54.1981 GPRESSAVG: 2716200 -31.2557 5.90589 6.3319 2.10041 13.411 -29.3351 6.23745 -30.7105 54.2335 TIMING: 2716200 CPU: 7871.31, 0.00289184/step Wall: 7871.31, 0.00289184/step, 1.83455 hours remaining, 208.234375 MB of memory in use. ENERGY: 2716200 753.7831 2059.6514 1960.1668 115.2387 -206216.8854 17740.5011 0.0000 0.0000 34278.3038 -149309.2405 299.3610 -183587.5443 -149216.0371 298.5848 -78.5392 -42.9255 558195.5769 12.0154 12.1296 LDB: ============= START OF LOAD BALANCING ============== 7874.7 LDB: ============== END OF LOAD BALANCING =============== 7874.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7874.7 LDB: ============= START OF LOAD BALANCING ============== 7874.99 LDB: Largest compute 4820 load 0.026723 is 22.7% of average load 0.117873 LDB: Average compute 0.001755 is 1.5% of average load 0.117873 LDB: TIME 7874.99 LOAD: AVG 0.117873 MAX 0.180949 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.543 MB LDB: TIME 7874.99 LOAD: AVG 0.117873 MAX 0.180949 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.543 MB LDB: TIME 7874.99 LOAD: AVG 0.117873 MAX 0.180949 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.543 MB LDB: ============== END OF LOAD BALANCING =============== 7875 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7875 PRESSURE: 2716400 48.4472 24.5404 81.0316 24.5402 82.3166 -129.627 81.0321 -129.625 48.5084 GPRESSURE: 2716400 125.255 -56.0029 44.6681 12.3325 97.0694 -146.642 90.3536 -142.74 50.8381 PRESSAVG: 2716400 -14.3021 35.4393 36.4559 35.4393 -23.2721 -0.725341 36.456 -0.725316 24.102 GPRESSAVG: 2716400 -15.4218 34.2884 36.8689 36.8488 -23.7386 -0.872617 34.2768 -0.418051 25.0051 TIMING: 2716400 CPU: 7871.91, 0.00295159/step Wall: 7871.91, 0.00295159/step, 1.87229 hours remaining, 210.546875 MB of memory in use. ENERGY: 2716400 748.9499 2100.2911 1944.2220 112.7327 -206092.3875 17769.0969 0.0000 0.0000 33969.3779 -149447.7171 296.6630 -183417.0950 -149349.0482 298.2576 59.7574 91.0542 556532.3044 -4.4907 -4.7184 PRESSURE: 2716600 -175.811 50.3069 -147.577 50.307 -21.9423 141.395 -147.577 141.394 20.8387 GPRESSURE: 2716600 -148.104 7.39282 -101.155 112.244 47.4599 157.27 -157.019 150.354 27.328 PRESSAVG: 2716600 -55.7243 7.96998 9.28463 7.96999 61.8953 -47.2612 9.28465 -47.2613 5.79715 GPRESSAVG: 2716600 -55.5711 11.0194 9.49194 7.28262 62.2991 -49.6172 10.4529 -46.0291 5.26527 TIMING: 2716600 CPU: 7872.48, 0.00288242/step Wall: 7872.48, 0.00288242/step, 1.82826 hours remaining, 210.617188 MB of memory in use. ENERGY: 2716600 778.3470 2107.0639 1937.6444 128.4986 -206443.3143 17846.6745 0.0000 0.0000 34267.0986 -149377.9872 299.2631 -183645.0858 -149288.0358 298.8327 -58.9716 -24.4386 556525.0094 3.9894 3.9978 PRESSURE: 2716800 331.562 118.431 258.515 118.432 148.714 -163.785 258.515 -163.786 226.622 GPRESSURE: 2716800 371.446 44.7116 259.45 92.508 143.004 -175.886 281.408 -104.493 282.372 PRESSAVG: 2716800 75.6745 24.149 -35.4023 24.149 -16.3567 -21.6813 -35.4022 -21.6814 -52.9238 GPRESSAVG: 2716800 77.1549 22.3293 -35.5791 23.6742 -16.7248 -21.2227 -36.1586 -22.846 -54.7032 TIMING: 2716800 CPU: 7873.06, 0.00287571/step Wall: 7873.06, 0.00287571/step, 1.82384 hours remaining, 210.671875 MB of memory in use. ENERGY: 2716800 702.6692 2083.4105 1928.2868 101.8904 -206507.5881 18014.3844 0.0000 0.0000 34369.4177 -149307.5291 300.1567 -183676.9468 -149212.3910 298.9321 235.6330 265.6072 556088.1376 2.1314 1.9090 PRESSURE: 2717000 258.194 -144.854 110.188 -144.855 40.3713 -80.6872 110.188 -80.6868 -275.354 GPRESSURE: 2717000 273.583 -154.206 87.9933 -126.393 89.1874 -84.6569 108.921 -124.128 -239.576 PRESSAVG: 2717000 7.53413 3.5337 -5.08747 3.53371 -18.9207 -40.7492 -5.08757 -40.7491 18.6059 GPRESSAVG: 2717000 6.26294 1.73888 -5.99911 3.85148 -19.8071 -38.9332 -4.20483 -40.4055 20.8007 TIMING: 2717000 CPU: 7873.64, 0.00289943/step Wall: 7873.64, 0.00289943/step, 1.83872 hours remaining, 210.671875 MB of memory in use. ENERGY: 2717000 750.7851 2084.9062 1955.9396 125.4093 -206376.2455 17721.3008 0.0000 0.0000 34270.8905 -149467.0141 299.2962 -183737.9045 -149365.9743 298.7413 7.7372 41.0649 556628.7511 2.4064 2.4188 PRESSURE: 2717200 -102.18 -4.47486 -33.2732 -4.47457 -128.632 15.3099 -33.2733 15.3099 -13.3541 GPRESSURE: 2717200 -122.525 29.7629 44.1568 -19.2733 -67.5358 34.5498 -74.2045 -10.1864 40.17 PRESSAVG: 2717200 32.7656 -50.4749 -35.3619 -50.4749 -39.4743 -37.6619 -35.362 -37.6619 -6.15551 GPRESSAVG: 2717200 33.0536 -48.3889 -35.8746 -53.1738 -39.3284 -38.984 -35.7765 -37.8494 -7.03539 TIMING: 2717200 CPU: 7874.22, 0.00292341/step Wall: 7874.22, 0.00292341/step, 1.85376 hours remaining, 210.671875 MB of memory in use. ENERGY: 2717200 769.4545 2048.8499 1974.1510 109.1332 -205851.7975 17798.2704 0.0000 0.0000 33981.1530 -149170.7855 296.7659 -183151.9385 -149085.3102 298.3048 -81.3888 -49.9635 558373.3407 -4.2881 -4.4367 PRESSURE: 2717400 -56.9192 119.048 -168.2 119.047 -213.037 86.8244 -168.201 86.8236 -86.7201 GPRESSURE: 2717400 -34.5184 64.5562 -108.596 35.267 -237.062 9.51588 -221.276 128.366 18.1248 PRESSAVG: 2717400 30.899 -3.25778 -14.2063 -3.25774 -62.4649 43.6093 -14.2064 43.6092 64.9747 GPRESSAVG: 2717400 31.4649 -3.80529 -13.1378 -1.96492 -62.9379 43.1728 -16.5178 44.6486 65.5851 TIMING: 2717400 CPU: 7874.8, 0.00291661/step Wall: 7874.8, 0.00291661/step, 1.84929 hours remaining, 210.671875 MB of memory in use. ENERGY: 2717400 739.0160 2083.2369 1986.7104 115.9017 -205758.9356 17549.8833 0.0000 0.0000 34284.7826 -148999.4048 299.4175 -183284.1874 -148904.3510 299.0454 -118.8921 -84.4853 557417.8548 11.1363 11.3707 PRESSURE: 2717600 -124.908 -12.583 -42.4858 -12.5827 -48.7712 2.19437 -42.4857 2.19651 -176.856 GPRESSURE: 2717600 -22.3368 58.5633 -147.148 -27.8119 -85.0242 52.6642 -45.6396 -24.3216 -147.864 PRESSAVG: 2717600 -10.4837 -41.9057 -51.0611 -41.9057 -4.47148 14.2703 -51.0611 14.2703 23.3664 GPRESSAVG: 2717600 -10.4021 -43.1917 -53.7231 -39.9507 -3.7712 15.2113 -48.0418 14.9833 22.5863 TIMING: 2717600 CPU: 7875.39, 0.00290751/step Wall: 7875.39, 0.00290751/step, 1.84336 hours remaining, 210.671875 MB of memory in use. ENERGY: 2717600 732.6880 2010.0336 1969.0026 102.0554 -205869.4450 17694.4168 0.0000 0.0000 34414.9553 -148946.2931 300.5544 -183361.2484 -148852.8341 299.7281 -116.8452 -85.0751 558489.0379 2.8037 2.8043 PRESSURE: 2717800 -204.006 -51.3393 41.0617 -51.3401 -163.482 -86.2185 41.0629 -86.2175 -121.101 GPRESSURE: 2717800 -134.617 -37.2813 -23.1233 50.4009 -156.225 -26.0734 91.937 -82.4899 -103.105 PRESSAVG: 2717800 57.17 13.6797 -15.1405 13.6798 4.20318 26.3848 -15.1404 26.3849 -61.0733 GPRESSAVG: 2717800 56.2666 15.3282 -12.8923 13.2328 3.67685 26.5722 -15.8881 25.5582 -60.4228 TIMING: 2717800 CPU: 7875.97, 0.00290901/step Wall: 7875.97, 0.00290901/step, 1.84415 hours remaining, 210.671875 MB of memory in use. ENERGY: 2717800 707.9995 2094.0552 1961.2891 125.7289 -205890.7007 17463.2982 0.0000 0.0000 34559.6568 -148978.6730 301.8181 -183538.3298 -148886.1210 300.2971 -162.8631 -131.3156 557085.0398 0.1000 -0.1598 PRESSURE: 2718000 44.1993 -42.6063 -111.922 -42.6068 137.475 -63.8966 -111.923 -63.8975 10.389 GPRESSURE: 2718000 69.7735 29.8436 -108.079 -32.9081 179.613 -143.174 -3.55494 22.6565 41.6131 PRESSAVG: 2718000 -2.32522 20.4286 -21.2087 20.4287 -1.72448 -26.0151 -21.2087 -26.015 -27.2815 GPRESSAVG: 2718000 -0.935987 21.5375 -22.286 19.2662 -2.39583 -27.8854 -20.2988 -26.854 -27.696 TIMING: 2718000 CPU: 7876.55, 0.00291403/step Wall: 7876.55, 0.00291403/step, 1.84717 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2718000 702.5593 2114.6680 1960.0484 108.9936 -206151.6684 17760.9616 0.0000 0.0000 34411.0051 -149093.4324 300.5199 -183504.4375 -148987.5687 300.6969 64.0212 96.9998 556046.4079 -10.4437 -10.3426 PRESSURE: 2718200 -271.345 0.114919 18.7181 0.114033 67.343 161.923 18.7178 161.924 -238.416 GPRESSURE: 2718200 -152.412 21.8769 33.8686 -2.36789 39.3611 157.704 -1.34188 180.892 -231.511 PRESSAVG: 2718200 27.5961 -11.0516 11.9301 -11.0517 42.9097 25.2349 11.9301 25.2349 -7.70614 GPRESSAVG: 2718200 27.223 -12.4954 15.5281 -9.94315 43.2325 26.3292 7.73679 25.5783 -7.13153 TIMING: 2718200 CPU: 7877.13, 0.00290469/step Wall: 7877.13, 0.00290469/step, 1.84109 hours remaining, 210.671875 MB of memory in use. ENERGY: 2718200 775.3450 2123.2161 1948.2068 110.1218 -206416.7638 17711.0498 0.0000 0.0000 34412.7766 -149336.0478 300.5353 -183748.8244 -149240.4969 300.0699 -147.4728 -114.8537 556816.5313 20.9332 21.1080 PRESSURE: 2718400 -40.5626 -135.366 -183.952 -135.366 13.2278 -151.789 -183.954 -151.79 -186.659 GPRESSURE: 2718400 44.0467 -76.0366 -86.2921 -172.062 56.4967 -199.676 -231.459 -111.787 -214.204 PRESSAVG: 2718400 -8.27829 51.1963 -5.56297 51.1963 -15.2512 0.831738 -5.56289 0.831856 36.9919 GPRESSAVG: 2718400 -8.27987 52.0189 -8.28535 49.9049 -14.4649 -2.21944 -1.7304 2.94136 36.5144 TIMING: 2718400 CPU: 7877.71, 0.00288963/step Wall: 7877.71, 0.00288963/step, 1.83138 hours remaining, 210.671875 MB of memory in use. ENERGY: 2718400 780.2980 2071.9112 1967.1481 119.9460 -206398.7945 17802.1901 0.0000 0.0000 34284.4250 -149372.8760 299.4144 -183657.3011 -149274.2077 299.0313 -71.3313 -37.8869 556201.6958 4.4874 4.5899 PRESSURE: 2718600 148.514 88.3843 81.2888 88.3833 -218.238 107.848 81.2905 107.847 -137.679 GPRESSURE: 2718600 153.141 103.358 55.7505 93.799 -151.606 100.036 36.1446 115.247 -108.206 PRESSAVG: 2718600 -27.9447 -24.0716 26.6164 -24.0714 14.0364 47.863 26.6163 47.8629 -2.44736 GPRESSAVG: 2718600 -28.5131 -24.0604 27.7856 -24.7592 13.5841 50.7358 24.581 47.0169 -1.01523 TIMING: 2718600 CPU: 7878.29, 0.00288774/step Wall: 7878.29, 0.00288774/step, 1.83002 hours remaining, 210.671875 MB of memory in use. ENERGY: 2718600 755.7324 2066.3137 1940.4241 132.3967 -206032.0988 17743.7888 0.0000 0.0000 34037.0861 -149356.3567 297.2543 -183393.4429 -149261.0819 298.7220 -69.1347 -35.5572 557560.9247 -5.4519 -5.3147 PRESSURE: 2718800 -142.47 -201.128 86.8151 -201.128 73.1377 79.1983 86.815 79.1986 -60.209 GPRESSURE: 2718800 -51.05 -115.173 97.8107 -218.824 76.2767 24.2601 31.0116 125.179 -64.6903 PRESSAVG: 2718800 10.4165 -2.82893 76.8934 -2.82892 -68.2756 31.0895 76.8934 31.0895 46.0211 GPRESSAVG: 2718800 11.0807 -4.07878 77.0531 -2.21561 -67.5362 29.642 76.2201 28.3028 45.4777 TIMING: 2718800 CPU: 7878.87, 0.00290865/step Wall: 7878.87, 0.00290865/step, 1.84312 hours remaining, 210.671875 MB of memory in use. ENERGY: 2718800 741.8151 2057.9930 1975.9243 112.1611 -205982.9981 17578.7482 0.0000 0.0000 34268.7953 -149247.5611 299.2779 -183516.3564 -149151.9476 298.5395 -43.1805 -13.1545 557197.8954 -3.9460 -3.6593 PRESSURE: 2719000 -68.381 25.6417 -35.5037 25.6411 126.099 204.926 -35.5021 204.925 22.7435 GPRESSURE: 2719000 22.8127 46.6044 -32.1545 12.8319 112.225 102.545 61.6539 263.514 49.1967 PRESSAVG: 2719000 -30.0896 -18.1731 -5.2232 -18.1731 28.6369 11.7106 -5.22318 11.7107 -30.6799 GPRESSAVG: 2719000 -30.8441 -18.1536 -3.21231 -16.207 28.6265 12.4773 -5.10566 11.3764 -29.7621 TIMING: 2719000 CPU: 7879.45, 0.00292719/step Wall: 7879.45, 0.00292719/step, 1.8547 hours remaining, 210.671875 MB of memory in use. ENERGY: 2719000 729.4023 2141.1926 1963.6389 103.4364 -206406.6706 17986.7534 0.0000 0.0000 34137.0395 -149345.2076 298.1273 -183482.2471 -149255.1116 298.8116 26.8206 61.4115 557110.1896 -10.7109 -10.6599 PRESSURE: 2719200 103.93 83.2431 -19.1014 83.2428 -26.1674 16.0553 -19.1008 16.0568 -94.8087 GPRESSURE: 2719200 88.5531 56.4232 -37.7877 175.079 25.7423 48.9656 -15.7894 -1.03705 -18.5277 PRESSAVG: 2719200 52.4851 60.8558 61.6741 60.8559 -44.141 53.5288 61.6741 53.5288 -1.57409 GPRESSAVG: 2719200 52.4446 62.0871 58.9282 59.1299 -44.8697 54.1762 61.5137 53.0934 -0.583764 TIMING: 2719200 CPU: 7880.03, 0.00290178/step Wall: 7880.03, 0.00290178/step, 1.83844 hours remaining, 210.671875 MB of memory in use. ENERGY: 2719200 762.3735 2082.7125 1982.0157 123.0497 -206553.3787 17919.7327 0.0000 0.0000 34315.2702 -149368.2244 299.6838 -183683.4946 -149271.1841 298.5633 -5.6821 31.9226 556294.4992 2.2567 2.3304 PRESSURE: 2719400 -101.234 -26.6581 85.6754 -26.6575 -24.8951 29.6555 85.6754 29.6565 39.6244 GPRESSURE: 2719400 -67.0389 -20.7173 10.7044 8.81963 61.596 17.8157 117.791 51.2048 22.7125 PRESSAVG: 2719400 20.1245 -30.3285 41.2019 -30.3286 38.8084 -12.9492 41.2018 -12.9492 -14.3588 GPRESSAVG: 2719400 20.5969 -31.9613 40.7798 -29.5355 39.6652 -12.407 41.3393 -10.4985 -15.7431 TIMING: 2719400 CPU: 7880.61, 0.00288787/step Wall: 7880.61, 0.00288787/step, 1.82947 hours remaining, 210.671875 MB of memory in use. ENERGY: 2719400 728.9948 2104.0532 1966.3205 101.1827 -206417.3112 17688.8693 0.0000 0.0000 34358.6925 -149469.1981 300.0630 -183827.8906 -149371.3897 299.1232 -28.8350 5.7565 556356.5648 14.8580 14.8397 PRESSURE: 2719600 -412.591 -124.122 -24.8336 -124.122 -253.597 -77.1216 -24.8343 -77.1203 -70.0914 GPRESSURE: 2719600 -334.073 -135.523 -7.52131 -117.222 -240.545 -30.6672 -26.4861 -84.9049 -69.2625 PRESSAVG: 2719600 -55.632 -43.3002 -24.4141 -43.3002 -21.944 14.3658 -24.414 14.3658 43.1724 GPRESSAVG: 2719600 -55.9197 -41.4064 -21.5848 -44.1113 -21.103 15.7416 -25.9793 12.4801 42.8521 TIMING: 2719600 CPU: 7881.19, 0.00288961/step Wall: 7881.19, 0.00288961/step, 1.83041 hours remaining, 210.875000 MB of memory in use. ENERGY: 2719600 794.1046 2096.7850 1950.0673 101.6715 -205958.8644 17437.5258 0.0000 0.0000 34275.2692 -149303.4411 299.3345 -183578.7102 -149208.0364 299.3257 -245.4267 -214.6267 556404.1236 -11.4679 -11.3902 PRESSURE: 2719800 92.4803 19.0933 -35.7361 19.0937 321.517 -155.365 -35.735 -155.365 -31.3794 GPRESSURE: 2719800 126.046 12.6155 28.5453 -17.6684 346.781 -157.544 -38.0588 -158.129 -5.24455 PRESSAVG: 2719800 24.7611 -25.7956 -17.7102 -25.7956 -74.1676 21.2226 -17.7103 21.2226 31.9433 GPRESSAVG: 2719800 24.1073 -24.0909 -21.1244 -25.1233 -74.5022 18.2895 -13.733 23.3853 32.8763 TIMING: 2719800 CPU: 7881.77, 0.00288652/step Wall: 7881.77, 0.00288652/step, 1.82829 hours remaining, 210.875000 MB of memory in use. ENERGY: 2719800 769.2440 2093.2177 1952.0869 119.5348 -206424.5883 17990.0648 0.0000 0.0000 34247.2814 -149253.1587 299.0900 -183500.4401 -149161.0470 299.5552 127.5394 155.8608 556591.2769 -5.8211 -5.8395 PRESSURE: 2720000 -84.7514 68.9304 174.372 68.9318 -116.987 -28.0281 174.372 -28.0286 -408.82 GPRESSURE: 2720000 -1.25512 54.6022 167.789 82.0766 -150.38 -79.6043 204.605 -18.8361 -353.454 PRESSAVG: 2720000 21.6899 -7.80096 55.6468 -7.80092 -16.8765 -36.6071 55.6468 -36.6071 -8.42195 GPRESSAVG: 2720000 21.2163 -9.48764 58.8804 -8.67594 -16.8941 -36.6713 51.5766 -38.8987 -7.41328 TIMING: 2720000 CPU: 7882.34, 0.00288607/step Wall: 7882.34, 0.00288607/step, 1.82785 hours remaining, 210.875000 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: 2720000 776.7527 2083.3519 1963.4412 122.6048 -206212.4435 17639.5163 0.0000 0.0000 34474.8886 -149151.8881 301.0778 -183626.7767 -149055.1892 298.9928 -203.5195 -168.3631 557505.4613 -1.2029 -1.0304 PRESSURE: 2720200 -138.442 50.2767 124.64 50.2765 -137.497 246.837 124.641 246.838 -292.101 GPRESSURE: 2720200 -142.435 -33.9817 146.546 98.2959 -11.8505 208.974 69.4074 231.466 -317.726 PRESSAVG: 2720200 50.8279 21.3468 50.8729 21.3469 3.15124 37.4361 50.8729 37.436 -16.0915 GPRESSAVG: 2720200 51.3434 21.1781 51.9729 20.1478 3.89016 40.4436 49.7703 37.0208 -17.0465 TIMING: 2720200 CPU: 7882.92, 0.0028853/step Wall: 7882.92, 0.0028853/step, 1.8272 hours remaining, 210.875000 MB of memory in use. ENERGY: 2720200 743.8523 2064.8588 1960.4958 102.9009 -205533.4421 17453.8731 0.0000 0.0000 34080.4287 -149127.0325 297.6329 -183207.4612 -149027.4381 299.5298 -189.3468 -157.3372 558303.1790 12.6292 12.7290 LDB: ============= START OF LOAD BALANCING ============== 7886.31 LDB: ============== END OF LOAD BALANCING =============== 7886.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7886.31 LDB: ============= START OF LOAD BALANCING ============== 7886.6 LDB: Largest compute 4820 load 0.027255 is 23.1% of average load 0.117888 LDB: Average compute 0.001750 is 1.5% of average load 0.117888 LDB: TIME 7886.6 LOAD: AVG 0.117888 MAX 0.179767 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.539 MB LDB: TIME 7886.6 LOAD: AVG 0.117888 MAX 0.179767 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.539 MB LDB: TIME 7886.6 LOAD: AVG 0.117888 MAX 0.179767 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.539 MB LDB: ============== END OF LOAD BALANCING =============== 7886.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7886.61 PRESSURE: 2720400 -3.73305 26.1305 205.891 26.13 30.7608 15.2971 205.89 15.2973 37.6518 GPRESSURE: 2720400 33.1162 7.27376 162.97 -126.01 45.2332 -27.5561 182.723 -14.3865 84.9888 PRESSAVG: 2720400 43.0568 20.445 -21.043 20.445 -55.5483 -0.798263 -21.043 -0.798198 -42.9499 GPRESSAVG: 2720400 43.129 20.4216 -22.0571 20.6847 -56.585 -1.12596 -19.5958 -1.43154 -41.888 TIMING: 2720400 CPU: 7883.51, 0.00296399/step Wall: 7883.51, 0.00296399/step, 1.87686 hours remaining, 208.164062 MB of memory in use. ENERGY: 2720400 757.6320 2103.4127 1951.7133 105.6633 -206317.9069 17947.7922 0.0000 0.0000 34355.2924 -149096.4011 300.0333 -183451.6934 -149011.7718 300.6588 21.5598 54.4461 558264.8813 -18.4805 -18.4480 PRESSURE: 2720600 92.3151 -12.0243 -70.5132 -12.0241 276.623 -57.7491 -70.5134 -57.75 -52.8732 GPRESSURE: 2720600 143.654 31.5245 -94.3171 -41.6503 262.057 -23.9879 -61.3618 -70.2601 22.4305 PRESSAVG: 2720600 68.169 21.1555 0.544491 21.1553 7.50317 -14.8025 0.544582 -14.8025 -42.6182 GPRESSAVG: 2720600 68.8194 20.9635 0.297933 22.1797 7.7118 -16.9066 -0.116669 -10.6388 -44.0602 TIMING: 2720600 CPU: 7884.1, 0.00294109/step Wall: 7884.1, 0.00294109/step, 1.8622 hours remaining, 208.406250 MB of memory in use. ENERGY: 2720600 739.5903 2073.0059 1958.5925 108.0412 -206175.1285 17946.6487 0.0000 0.0000 34432.1616 -148917.0884 300.7046 -183349.2500 -148823.5517 300.4233 105.3551 142.7140 559700.7484 11.0180 10.8236 PRESSURE: 2720800 -152.789 -91.538 -65.3237 -91.5378 -213.817 -94.8624 -65.3236 -94.8604 -199.14 GPRESSURE: 2720800 -69.7166 -134.583 -134.002 -25.0229 -158.914 -82.416 -89.2732 -211.158 -233.254 PRESSAVG: 2720800 -51.2677 -31.0087 -59.5243 -31.0087 53.6313 -50.6169 -59.5243 -50.617 23.2662 GPRESSAVG: 2720800 -51.7246 -31.5084 -59.6474 -29.335 53.9238 -49.5759 -57.6059 -52.6597 22.7459 TIMING: 2720800 CPU: 7884.68, 0.00290701/step Wall: 7884.68, 0.00290701/step, 1.84046 hours remaining, 208.406250 MB of memory in use. ENERGY: 2720800 758.9883 2049.6264 1938.7219 114.1166 -205848.1498 17741.8244 0.0000 0.0000 34417.9948 -148826.8775 300.5809 -183244.8723 -148734.3140 299.9390 -188.5817 -153.9614 559432.0147 8.5433 8.3150 PRESSURE: 2721000 115.189 -169.048 -50.7183 -169.047 -107.728 65.738 -50.7184 65.7384 206.7 GPRESSURE: 2721000 151.765 -145.765 -35.2551 -165.207 -75.3132 37.4505 -46.6959 138.659 242.335 PRESSAVG: 2721000 56.3237 -6.03688 -40.9662 -6.03682 -1.81324 -26.2656 -40.9663 -26.2658 6.41472 GPRESSAVG: 2721000 55.5007 -5.65513 -40.8984 -5.88247 -2.37114 -26.8 -40.453 -23.4442 8.07134 TIMING: 2721000 CPU: 7885.27, 0.00291533/step Wall: 7885.27, 0.00291533/step, 1.84556 hours remaining, 208.406250 MB of memory in use. ENERGY: 2721000 775.1617 2048.7913 1972.2985 118.3360 -206444.7071 18088.3599 0.0000 0.0000 34317.8895 -149123.8701 299.7067 -183441.7596 -149025.8391 299.7089 71.3870 106.2625 557381.5906 20.3084 20.4003 PRESSURE: 2721200 -57.0786 -135.953 126.926 -135.953 412.962 -100.63 126.926 -100.629 -254.425 GPRESSURE: 2721200 -61.3712 -4.86785 59.8873 -170.849 437.217 -59.462 98.3845 -132.496 -183.163 PRESSAVG: 2721200 48.4584 -23.5161 -68.6904 -23.5162 -20.7603 24.4784 -68.6904 24.4784 52.8687 GPRESSAVG: 2721200 47.6855 -22.4674 -67.8175 -24.1149 -20.3874 24.5594 -71.2952 22.3205 52.8571 TIMING: 2721200 CPU: 7885.85, 0.0029135/step Wall: 7885.85, 0.00291351/step, 1.84425 hours remaining, 208.492188 MB of memory in use. ENERGY: 2721200 735.0593 2130.3655 1985.3500 117.9042 -206201.3114 17875.7835 0.0000 0.0000 34130.1350 -149226.7137 298.0670 -183356.8488 -149132.7054 299.6125 33.8196 64.2277 558266.2278 26.8556 26.7184 PRESSURE: 2721400 48.3406 -77.709 42.3246 -77.7084 -34.646 66.4565 42.3232 66.4558 111.888 GPRESSURE: 2721400 112.243 27.8577 48.6501 -96.273 -12.8991 25.5793 95.0049 44.2881 121.407 PRESSAVG: 2721400 25.2634 1.21918 -21.2057 1.21916 18.6287 35.6506 -21.2058 35.6505 15.942 GPRESSAVG: 2721400 25.8363 0.607695 -21.5974 -0.401008 18.1126 34.3887 -19.4543 35.7198 15.745 TIMING: 2721400 CPU: 7886.43, 0.00292277/step Wall: 7886.43, 0.00292277/step, 1.84995 hours remaining, 208.492188 MB of memory in use. ENERGY: 2721400 768.8029 2103.6042 1954.4119 98.9722 -206460.3785 17865.3029 0.0000 0.0000 34294.9448 -149374.3397 299.5063 -183669.2845 -149282.2204 299.1526 41.8609 73.5837 557252.7039 19.9447 19.8980 PRESSURE: 2721600 -58.7921 9.46715 -45.7349 9.46632 351.455 12.2396 -45.7359 12.2399 156.533 GPRESSURE: 2721600 21.6208 -8.44613 -12.3306 -27.3377 357.152 59.549 -15.0041 2.90358 186.196 PRESSAVG: 2721600 41.3151 5.13559 6.655 5.13558 -27.1973 24.4643 6.65495 24.4645 -42.0877 GPRESSAVG: 2721600 41.6873 3.99423 7.87195 6.99624 -26.9804 26.7424 5.3085 25.9238 -42.2323 TIMING: 2721600 CPU: 7887.02, 0.0029272/step Wall: 7887.02, 0.0029272/step, 1.8526 hours remaining, 208.492188 MB of memory in use. ENERGY: 2721600 746.2345 2099.4096 1951.7033 111.2546 -206615.4891 18077.7647 0.0000 0.0000 34078.7295 -149550.3929 297.6180 -183629.1224 -149448.8028 298.0932 149.7320 188.3230 556159.8225 -9.3233 -9.1751 PRESSURE: 2721800 -76.8177 -235.312 105.107 -235.312 159.957 -163.925 105.107 -163.926 140.859 GPRESSURE: 2721800 -1.88843 -264.255 190.572 -114.86 186.446 -122.383 147.832 -108.384 128.694 PRESSAVG: 2721800 16.9448 -43.9569 46.8875 -43.9568 35.0258 -11.5608 46.8876 -11.5608 0.771449 GPRESSAVG: 2721800 17.287 -44.9855 46.1147 -43.86 34.7481 -12.9084 49.9867 -11.4684 0.892312 TIMING: 2721800 CPU: 7887.61, 0.00292837/step Wall: 7887.61, 0.00292837/step, 1.85317 hours remaining, 208.492188 MB of memory in use. ENERGY: 2721800 750.1601 2147.0428 1977.4893 121.5043 -206586.2024 17967.1332 0.0000 0.0000 34205.4929 -149417.3798 298.7251 -183622.8727 -149319.7564 298.5215 74.6662 104.4170 556945.2771 17.5807 17.6424 PRESSURE: 2722000 256.107 8.97471 10.3438 8.97462 -180.484 41.6021 10.343 41.601 212.132 GPRESSURE: 2722000 299.861 17.7281 16.8226 15.1458 -129.328 8.45844 20.8037 27.942 224.805 PRESSAVG: 2722000 83.1363 14.8135 30.441 14.8135 -57.33 -35.2802 30.4411 -35.2802 -12.1423 GPRESSAVG: 2722000 82.933 15.9859 28.7723 14.0602 -57.0561 -34.5913 27.8725 -36.0605 -12.2393 TIMING: 2722000 CPU: 7888.19, 0.00291628/step Wall: 7888.19, 0.00291628/step, 1.84536 hours remaining, 208.492188 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: 2722000 718.3060 2111.7262 1968.4355 117.1315 -206383.2748 18026.8535 0.0000 0.0000 34221.4170 -149219.4051 298.8641 -183440.8221 -149125.8464 298.6824 95.9185 131.7795 558809.4116 4.5547 4.5459 PRESSURE: 2722200 -171.438 61.0219 109.339 61.0212 -103.542 9.35591 109.34 9.35667 -236.755 GPRESSURE: 2722200 -151.225 60.1206 145.282 100.001 -26.0292 27.2996 78.2415 -47.0225 -227.484 PRESSAVG: 2722200 9.53112 -45.8811 -8.71883 -45.8812 30.4611 32.0619 -8.71887 32.0619 11.4317 GPRESSAVG: 2722200 9.0829 -44.1194 -7.50624 -46.4563 30.9507 31.0819 -9.82839 33.2205 11.3288 TIMING: 2722200 CPU: 7888.77, 0.00290689/step Wall: 7888.77, 0.00290689/step, 1.83926 hours remaining, 208.492188 MB of memory in use. ENERGY: 2722200 737.0004 2099.2078 1958.7920 108.9741 -205771.4215 17539.3308 0.0000 0.0000 34215.8499 -149112.2665 298.8155 -183328.1164 -149017.6610 299.9261 -170.5782 -134.9129 557927.0851 17.1413 17.1208 PRESSURE: 2722400 170.025 -35.5993 86.3987 -35.5978 -160.945 55.317 86.3995 55.3166 12.6349 GPRESSURE: 2722400 177.439 81.8641 17.1275 -63.7632 -83.9085 117.357 145.689 -4.43091 37.3303 PRESSAVG: 2722400 -37.4204 20.5038 13.0462 20.5039 -10.839 0.50798 13.0462 0.507979 9.49801 GPRESSAVG: 2722400 -37.4205 21.1156 11.4586 21.8584 -11.3552 1.88541 14.2138 -0.811564 9.8595 TIMING: 2722400 CPU: 7889.35, 0.00287846/step Wall: 7889.35, 0.00287846/step, 1.82111 hours remaining, 208.492188 MB of memory in use. ENERGY: 2722400 745.1795 2128.1873 2009.0880 111.3657 -206445.9332 18033.2116 0.0000 0.0000 34485.7222 -148933.1790 301.1724 -183418.9011 -148834.1891 300.1023 7.2380 43.6204 557780.1396 -12.9205 -12.9721 PRESSURE: 2722600 -106.935 123.781 -19.4339 123.781 174.287 -95.6977 -19.4324 -95.6982 -187.826 GPRESSURE: 2722600 -82.3261 78.5915 5.79409 95.5711 210.32 -46.6443 -53.0861 -89.317 -147.874 PRESSAVG: 2722600 13.0355 -22.2082 52.7054 -22.2082 -23.137 28.7003 52.7053 28.7002 36.5834 GPRESSAVG: 2722600 13.3162 -22.2412 53.6861 -26.1785 -23.2823 28.7309 54.8056 28.536 35.8878 TIMING: 2722600 CPU: 7889.92, 0.00287837/step Wall: 7889.92, 0.00287837/step, 1.82089 hours remaining, 208.492188 MB of memory in use. ENERGY: 2722600 758.1619 2096.1904 1970.6937 113.9740 -206132.5543 17786.8738 0.0000 0.0000 34462.2272 -148944.4334 300.9672 -183406.6607 -148849.0465 300.7096 -40.1582 -6.6267 557121.4638 8.8273 8.6406 PRESSURE: 2722800 -65.1091 -64.6782 234.056 -64.6791 -69.1199 -25.3738 234.055 -25.3739 -202.209 GPRESSURE: 2722800 -29.2782 -28.1288 234.281 2.3954 -38.1309 -61.9699 270.484 -8.26909 -171.341 PRESSAVG: 2722800 -35.5143 19.6868 4.2709 19.6868 8.61443 9.89143 4.27101 9.89144 32.1953 GPRESSAVG: 2722800 -35.575 17.7116 6.50829 22.6485 8.45213 10.1376 1.75087 9.6226 32.5805 TIMING: 2722800 CPU: 7890.5, 0.0028974/step Wall: 7890.5, 0.0028974/step, 1.83277 hours remaining, 208.492188 MB of memory in use. ENERGY: 2722800 773.9270 2104.3212 1972.9198 109.6189 -206044.9489 17756.0458 0.0000 0.0000 34251.1903 -149076.9258 299.1242 -183328.1161 -148984.6239 299.5016 -112.1461 -79.5835 559231.0140 1.7652 1.8192 PRESSURE: 2723000 132.345 -8.2087 -141.587 -8.20961 144.264 42.0763 -141.587 42.0777 172.928 GPRESSURE: 2723000 193.672 -84.859 -117.857 64.4457 153.395 100.203 -175.464 -43.0029 199.994 PRESSAVG: 2723000 -9.90308 -10.1333 -31.5505 -10.1333 -14.0244 -22.9639 -31.5505 -22.964 28.9113 GPRESSAVG: 2723000 -8.90314 -9.33182 -31.4565 -9.67702 -15.1349 -23.6373 -32.5071 -22.849 28.8078 TIMING: 2723000 CPU: 7891.08, 0.00288649/step Wall: 7891.08, 0.00288649/step, 1.82571 hours remaining, 208.492188 MB of memory in use. ENERGY: 2723000 703.4013 2119.2481 1913.3263 123.4300 -206324.0553 18065.0103 0.0000 0.0000 34261.1191 -149138.5202 299.2109 -183399.6393 -149047.6116 299.7378 149.8460 182.3536 558293.4432 1.6613 1.5899 PRESSURE: 2723200 -39.3831 109.389 85.4203 109.388 -49.6737 2.47062 85.4202 2.47223 13.716 GPRESSURE: 2723200 -69.8436 88.7253 106.089 104.539 10.6549 18.7773 16.6084 -9.3573 74.6047 PRESSAVG: 2723200 -50.1376 46.8396 10.4335 46.8396 -43.9349 29.3375 10.4335 29.3375 26.5306 GPRESSAVG: 2723200 -49.305 46.7327 10.0927 46.8289 -43.9505 30.918 9.78712 29.3996 25.6253 TIMING: 2723200 CPU: 7891.65, 0.00288121/step Wall: 7891.65, 0.00288121/step, 1.82221 hours remaining, 208.492188 MB of memory in use. ENERGY: 2723200 747.2419 2124.9598 1961.2107 115.4316 -206323.9270 17771.8322 0.0000 0.0000 34495.0850 -149108.1659 301.2542 -183603.2509 -149011.5127 299.7770 -25.1136 5.1387 557803.7298 -22.5140 -22.5434 PRESSURE: 2723400 -206.878 -76.9033 -41.2565 -76.9024 -1.88515 -118.639 -41.2578 -118.638 -103.033 GPRESSURE: 2723400 -207.476 -59.5672 -23.3139 -104.632 74.3742 -130.272 -37.1762 -100.061 -78.3791 PRESSAVG: 2723400 -90.756 15.2735 13.5212 15.2735 71.5227 -10.9305 13.5212 -10.9304 -11.9663 GPRESSAVG: 2723400 -92.0203 14.89 12.0125 13.1373 71.8187 -13.1022 16.0451 -11.4025 -11.2687 TIMING: 2723400 CPU: 7892.23, 0.00288435/step Wall: 7892.23, 0.00288435/step, 1.82403 hours remaining, 208.492188 MB of memory in use. ENERGY: 2723400 750.8928 2107.9063 1975.9637 117.4077 -205896.5571 17603.2604 0.0000 0.0000 34094.2809 -149246.8453 297.7538 -183341.1262 -149150.7325 299.4671 -103.9322 -70.4936 558254.1537 -10.3999 -10.4901 PRESSURE: 2723600 44.1284 66.041 -198.547 66.0407 -69.7603 -24.3503 -198.546 -24.3488 92.7261 GPRESSURE: 2723600 91.8878 59.8119 -101.273 15.5895 -17.776 26.6333 -243.891 22.4683 106.898 PRESSAVG: 2723600 -106.018 43.204 -32.4251 43.204 21.1303 -23.0809 -32.425 -23.0809 99.3028 GPRESSAVG: 2723600 -105.583 43.6871 -33.1904 44.9252 19.593 -21.5695 -33.0092 -22.1882 99.9513 TIMING: 2723600 CPU: 7892.81, 0.00288081/step Wall: 7892.81, 0.00288081/step, 1.82164 hours remaining, 208.492188 MB of memory in use. ENERGY: 2723600 738.7072 2065.5762 1945.6694 117.9028 -206183.6574 17898.6854 0.0000 0.0000 34380.7971 -149036.3192 300.2561 -183417.1164 -148946.9959 299.7800 22.3647 60.3365 557246.2157 4.8050 4.6538 PRESSURE: 2723800 -317.14 9.05833 -54.258 9.05774 -328.404 22.1398 -54.2586 22.1396 -325.687 GPRESSURE: 2723800 -360.175 11.5829 -29.354 -29.243 -257.214 41.1641 -53.3377 22.8935 -249.351 PRESSAVG: 2723800 -0.178118 57.7129 2.59023 57.7129 -12.1403 -41.6311 2.5902 -41.6311 20.6961 GPRESSAVG: 2723800 -1.67988 56.6996 2.62065 57.0743 -9.12636 -42.2093 2.35477 -41.2402 19.4021 TIMING: 2723800 CPU: 7893.39, 0.00288855/step Wall: 7893.39, 0.00288855/step, 1.82637 hours remaining, 208.492188 MB of memory in use. ENERGY: 2723800 783.0549 2084.5656 1917.9815 112.3354 -205566.4788 17349.3755 0.0000 0.0000 34127.0526 -149192.1132 298.0400 -183319.1658 -149096.2832 299.6982 -323.7436 -288.9134 557642.7943 2.7925 2.8653 PRESSURE: 2724000 194.967 -111.838 73.1792 -111.837 -35.3274 13.0513 73.1795 13.0537 97.5641 GPRESSURE: 2724000 203.731 -175.433 106.968 -124.973 20.8852 67.841 105.056 21.7381 126.253 PRESSAVG: 2724000 7.20406 14.9593 6.404 14.9594 -9.80777 -21.9841 6.40398 -21.9841 10.7647 GPRESSAVG: 2724000 7.96132 15.9278 5.70735 15.1819 -10.5016 -22.0514 7.06372 -22.3518 11.2374 TIMING: 2724000 CPU: 7893.97, 0.00290043/step Wall: 7893.97, 0.00290043/step, 1.83372 hours remaining, 208.492188 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: 2724000 722.8420 2051.0229 1940.5913 104.8129 -206096.1287 17773.3556 0.0000 0.0000 34248.6375 -149254.8665 299.1019 -183503.5040 -149161.9800 299.3356 85.7345 116.9565 556715.4808 2.7203 2.8990 PRESSURE: 2724200 -36.5793 -239.667 48.1782 -239.667 115.469 4.95306 48.1774 4.95287 468.554 GPRESSURE: 2724200 3.85463 -229.331 37.14 -232.169 165.353 -96.295 78.628 64.6237 478.993 PRESSAVG: 2724200 -34.9188 -1.83344 0.831626 -1.8335 12.2774 11.8867 0.831736 11.8867 31.6186 GPRESSAVG: 2724200 -34.3786 -3.93325 1.55469 0.149374 12.221 11.8296 0.466404 10.9861 31.3529 TIMING: 2724200 CPU: 7894.55, 0.00291276/step Wall: 7894.55, 0.00291276/step, 1.84135 hours remaining, 208.492188 MB of memory in use. ENERGY: 2724200 765.6275 2065.8009 1939.5604 108.4485 -206753.2493 18105.3440 0.0000 0.0000 34482.8466 -149285.6214 301.1473 -183768.4680 -149194.3097 298.9391 182.4812 216.0667 555241.3247 2.9924 3.0651 LDB: ============= START OF LOAD BALANCING ============== 7897.93 LDB: ============== END OF LOAD BALANCING =============== 7897.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7897.93 LDB: ============= START OF LOAD BALANCING ============== 7898.22 LDB: Largest compute 4820 load 0.026104 is 22.2% of average load 0.117807 LDB: Average compute 0.001752 is 1.5% of average load 0.117807 LDB: TIME 7898.23 LOAD: AVG 0.117807 MAX 0.180055 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 7898.23 LOAD: AVG 0.117807 MAX 0.180055 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: TIME 7898.23 LOAD: AVG 0.117807 MAX 0.180055 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7898.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7898.23 PRESSURE: 2724400 80.0833 -17.3862 28.0556 -17.3856 245.467 -67.6064 28.0565 -67.6055 212.861 GPRESSURE: 2724400 88.8611 -71.4898 50.8629 -2.34509 258.855 -153.061 -89.6641 33.7319 286.434 PRESSAVG: 2724400 32.1922 -68.921 -1.69495 -68.921 -64.425 -70.5265 -1.6949 -70.5265 37.7124 GPRESSAVG: 2724400 32.1279 -66.3914 -0.263025 -72.2136 -65.5939 -69.7864 -0.95189 -71.1269 38.3881 TIMING: 2724400 CPU: 7895.14, 0.00294031/step Wall: 7895.14, 0.00294031/step, 1.8586 hours remaining, 210.175781 MB of memory in use. ENERGY: 2724400 764.3153 2074.8783 1953.8947 116.2983 -206484.3022 18149.3977 0.0000 0.0000 34144.0080 -149281.5099 298.1881 -183425.5179 -149193.0324 299.2147 179.4707 211.3835 556442.7603 1.8265 1.6407 PRESSURE: 2724600 147.129 -111.394 135.046 -111.393 154.504 148.698 135.045 148.698 44.143 GPRESSURE: 2724600 189.711 -127.419 155.632 -149.321 172.354 127.952 151.368 54.9221 81.8149 PRESSAVG: 2724600 -0.787572 -7.11394 -36.4674 -7.11386 12.3202 -13.9119 -36.4675 -13.9119 -3.30594 GPRESSAVG: 2724600 -1.40391 -9.09013 -39.7194 -5.06295 12.8556 -15.337 -35.4125 -12.6381 -3.16249 TIMING: 2724600 CPU: 7895.71, 0.00287661/step Wall: 7895.71, 0.00287661/step, 1.81818 hours remaining, 210.175781 MB of memory in use. ENERGY: 2724600 709.7526 1971.3766 1963.7068 124.7902 -206586.9550 18107.2160 0.0000 0.0000 34530.1751 -149179.9377 301.5606 -183710.1128 -149082.1743 299.5688 115.2588 147.9598 556699.7580 2.7422 2.7631 PRESSURE: 2724800 -100.746 2.34705 8.27792 2.34596 -3.70978 -33.1808 8.27786 -33.1811 49.5343 GPRESSURE: 2724800 -72.9251 82.2459 46.0237 -21.9386 23.9289 -7.27004 40.5194 -40.5822 101.816 PRESSAVG: 2724800 6.32486 15.423 28.021 15.423 -19.1363 -2.04591 28.021 -2.04592 3.57298 GPRESSAVG: 2724800 7.7115 17.8947 29.4883 12.909 -19.4568 -0.69669 28.6136 -3.01778 2.29551 TIMING: 2724800 CPU: 7896.29, 0.00287716/step Wall: 7896.29, 0.00287716/step, 1.81836 hours remaining, 210.175781 MB of memory in use. ENERGY: 2724800 727.3078 2105.7418 1929.4633 113.0529 -206161.1455 17662.7379 0.0000 0.0000 34423.2053 -149199.6364 300.6264 -183622.8417 -149100.0773 300.1766 -18.3073 17.6067 556559.1792 -3.0795 -3.1499 PRESSURE: 2725000 -102.92 -150.726 -89.223 -150.725 102.621 14.5383 -89.2228 14.5403 17.7526 GPRESSURE: 2725000 -140.192 -173.456 -167.248 -155.599 185.872 53.5847 -9.88368 -35.9712 73.8921 PRESSAVG: 2725000 -9.47929 -45.0704 -7.96213 -45.0704 -65.621 12.3896 -7.96205 12.3896 52.8957 GPRESSAVG: 2725000 -11.3387 -45.2612 -8.76861 -44.0021 -64.5049 12.863 -9.89423 14.1721 53.7083 TIMING: 2725000 CPU: 7896.87, 0.0028929/step Wall: 7896.87, 0.0028929/step, 1.82815 hours remaining, 210.175781 MB of memory in use. ENERGY: 2725000 760.3212 2095.6207 1950.7515 105.0925 -206060.8392 17732.4090 0.0000 0.0000 34168.9161 -149247.7283 298.4056 -183416.6444 -149151.2961 299.5173 5.8181 39.8575 556479.5247 -7.4015 -7.3785 PRESSURE: 2725200 -326.017 -52.1547 -24.7445 -52.1537 -243.477 135.637 -24.7439 135.637 -273.789 GPRESSURE: 2725200 -266.774 15.2868 -13.1472 -75.6369 -261.103 138.713 -32.315 103.095 -215.472 PRESSAVG: 2725200 -30.2046 -30.5175 32.8733 -30.5173 -31.9874 -10.6301 32.8733 -10.6302 43.7003 GPRESSAVG: 2725200 -29.5079 -32.2251 34.1142 -30.1141 -33.0369 -12.8675 32.8261 -12.4984 43.7862 TIMING: 2725200 CPU: 7897.44, 0.00287501/step Wall: 7897.44, 0.00287501/step, 1.81669 hours remaining, 210.175781 MB of memory in use. ENERGY: 2725200 727.1305 2054.4051 1932.9080 111.4575 -205809.1593 17358.0897 0.0000 0.0000 34259.5390 -149365.6295 299.1971 -183625.1685 -149266.5801 298.4693 -281.0943 -247.7829 558257.3463 -6.1639 -6.2529 PRESSURE: 2725400 183.264 55.4595 14.4781 55.4586 54.2321 -48.0852 14.4777 -48.0858 -2.67358 GPRESSURE: 2725400 226.879 87.7029 76.4056 61.3569 61.6718 -31.8927 -88.2674 -45.9848 44.5045 PRESSAVG: 2725400 -2.28674 5.07904 -13.1661 5.07905 -24.3843 22.9 -13.1661 22.9 15.304 GPRESSAVG: 2725400 -1.99765 5.15186 -13.8932 6.31197 -24.5965 25.4999 -12.558 21.4832 15.3679 TIMING: 2725400 CPU: 7898.01, 0.00286255/step Wall: 7898.01, 0.00286255/step, 1.80865 hours remaining, 210.175781 MB of memory in use. ENERGY: 2725400 740.2454 2088.3010 1954.2505 114.7177 -206612.1600 17956.9281 0.0000 0.0000 34387.5120 -149370.2052 300.3147 -183757.7173 -149276.6310 298.6963 78.2740 111.0183 555974.2906 -3.7890 -3.7421 PRESSURE: 2725600 -251.713 27.741 -18.4602 27.7413 -192.781 -75.8382 -18.4612 -75.8401 -130.046 GPRESSURE: 2725600 -231.448 1.19807 8.5275 -9.53355 -171.422 -95.4357 -47.7947 -39.7377 -67.0745 PRESSAVG: 2725600 50.5668 11.442 0.992504 11.4419 -0.0766868 18.4879 0.99248 18.4879 -21.3146 GPRESSAVG: 2725600 49.7498 11.1687 0.742938 11.9938 -0.134234 16.5665 0.690037 20.2461 -20.5657 TIMING: 2725600 CPU: 7898.59, 0.00286094/step Wall: 7898.59, 0.00286094/step, 1.80748 hours remaining, 210.175781 MB of memory in use. ENERGY: 2725600 786.0041 2125.4737 1937.7710 120.0360 -205988.5115 17547.4683 0.0000 0.0000 34231.3837 -149240.3748 298.9512 -183471.7584 -149140.1469 299.7175 -191.5134 -156.6484 558447.6964 9.7252 9.6833 PRESSURE: 2725800 -198.752 148.419 12.2371 148.419 -224.663 -100.68 12.2375 -100.679 -100.006 GPRESSURE: 2725800 -142.25 86.7903 49.0847 139.226 -202.115 -67.5282 -5.27014 -106.024 -102.411 PRESSAVG: 2725800 -37.5782 32.9059 37.8412 32.9059 38.2923 32.3549 37.8412 32.3548 -9.73292 GPRESSAVG: 2725800 -36.8983 33.1034 38.2592 30.0026 37.3269 33.916 38.4334 33.6992 -9.61136 TIMING: 2725800 CPU: 7899.16, 0.00286782/step Wall: 7899.16, 0.00286782/step, 1.81166 hours remaining, 210.175781 MB of memory in use. ENERGY: 2725800 735.4493 2144.8656 1933.5262 112.3209 -205809.1594 17408.0738 0.0000 0.0000 34147.5889 -149327.3347 298.2194 -183474.9236 -149232.4819 299.1973 -174.4737 -148.9255 558244.3759 -3.0063 -3.0609 PRESSURE: 2726000 182.974 98.3379 -3.77179 98.3368 -68.3891 -2.9154 -3.77319 -2.91442 13.4161 GPRESSURE: 2726000 232.983 101.659 60.1598 111.873 -21.7193 -28.754 -40.7628 -44.0908 8.60562 PRESSAVG: 2726000 36.2313 5.23777 1.02436 5.2378 -73.4544 26.317 1.02433 26.3171 -16.559 GPRESSAVG: 2726000 35.3574 8.18902 0.087795 6.12712 -72.4213 25.8568 1.24837 26.4619 -17.1486 TIMING: 2726000 CPU: 7899.73, 0.00288111/step Wall: 7899.73, 0.00288111/step, 1.8199 hours remaining, 210.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2726000 763.0969 2096.8024 1961.2775 106.1810 -206275.7294 17817.9712 0.0000 0.0000 34105.0801 -149425.3204 297.8481 -183530.4005 -149328.4314 298.0502 42.6671 73.2899 555152.0705 -17.9274 -18.0708 PRESSURE: 2726200 52.3748 -41.6116 114.299 -41.612 -213.324 46.7777 114.297 46.7764 -124.612 GPRESSURE: 2726200 99.3658 -10.1091 29.6306 -105.82 -180.823 73.3721 164.846 66.5863 -101.675 PRESSAVG: 2726200 58.5707 -7.28031 -13.7808 -7.28032 -6.80293 -13.0748 -13.7808 -13.0749 -17.6499 GPRESSAVG: 2726200 59.0699 -9.54409 -14.276 -7.1011 -6.66323 -11.5109 -13.3481 -14.4769 -18.354 TIMING: 2726200 CPU: 7900.31, 0.00288205/step Wall: 7900.31, 0.00288205/step, 1.82034 hours remaining, 210.175781 MB of memory in use. ENERGY: 2726200 771.6141 2088.8347 1958.3838 108.4554 -206036.4188 17698.2673 0.0000 0.0000 34235.9769 -149174.8866 298.9913 -183410.8635 -149076.4913 298.9835 -95.1873 -61.0440 557491.7760 11.3726 11.3509 PRESSURE: 2726400 -48.674 93.2742 -19.1396 93.2744 -13.8809 8.5362 -19.1394 8.53512 175.415 GPRESSURE: 2726400 -67.4077 64.8544 -93.8057 98.2577 24.94 141.878 54.5772 -52.2707 246.284 PRESSAVG: 2726400 59.0477 -30.7768 64.8187 -30.7768 21.8415 -19.281 64.8187 -19.281 -19.6903 GPRESSAVG: 2726400 58.1431 -33.0026 64.2953 -29.8914 21.9115 -20.6639 64.6256 -18.5999 -18.9159 TIMING: 2726400 CPU: 7900.89, 0.00289595/step Wall: 7900.89, 0.00289595/step, 1.82896 hours remaining, 210.175781 MB of memory in use. ENERGY: 2726400 784.1174 2099.0626 1949.4399 113.2194 -206291.5076 17974.2460 0.0000 0.0000 34009.9305 -149361.4918 297.0172 -183371.4223 -149274.8388 298.5349 37.6199 67.9387 556047.0938 20.3996 20.3796 PRESSURE: 2726600 -28.4164 -157.541 54.6741 -157.54 223.355 80.9648 54.6742 80.9654 50.7989 GPRESSURE: 2726600 5.08939 -203.789 33.9871 -34.8412 274.007 121.604 45.14 10.8031 63.7372 PRESSAVG: 2726600 -34.112 -1.35722 48.668 -1.35722 -23.3556 -1.24236 48.668 -1.2423 58.6136 GPRESSAVG: 2726600 -34.5128 2.45113 49.7579 -2.07062 -23.7873 -2.53764 47.7703 0.340338 59.0072 TIMING: 2726600 CPU: 7901.47, 0.0028738/step Wall: 7901.47, 0.0028738/step, 1.81481 hours remaining, 210.175781 MB of memory in use. ENERGY: 2726600 765.9331 2129.5311 1951.1261 109.8115 -206499.2321 18022.7580 0.0000 0.0000 34028.4488 -149491.6235 297.1789 -183520.0723 -149398.8547 298.3585 81.9125 114.2779 556442.1317 0.3820 0.2357 PRESSURE: 2726800 -336.83 -145.929 -66.5534 -145.929 21.2001 48.3946 -66.5533 48.3954 144.118 GPRESSURE: 2726800 -213.606 -176.152 -15.7952 -149.826 51.5901 -21.5302 -111.439 47.288 98.5638 PRESSAVG: 2726800 -20.6344 14.8656 -17.2718 14.8656 20.4525 -21.3033 -17.2719 -21.3033 25.5471 GPRESSAVG: 2726800 -20.7571 12.5604 -18.6315 13.8985 20.8938 -22.6726 -14.1494 -21.8181 24.9372 TIMING: 2726800 CPU: 7902.04, 0.00288856/step Wall: 7902.04, 0.00288856/step, 1.82396 hours remaining, 210.175781 MB of memory in use. ENERGY: 2726800 736.5974 2110.7724 1954.2656 127.2032 -206181.9367 17744.0545 0.0000 0.0000 34190.1223 -149318.9213 298.5908 -183509.0436 -149214.9198 299.3409 -57.1709 -21.1505 556930.3041 8.4551 8.3580 PRESSURE: 2727000 -90.0775 144.411 185.982 144.412 -175.145 218.292 185.982 218.294 -26.2201 GPRESSURE: 2727000 -100.319 169.033 168.828 175.04 -124.448 172.85 225.128 146.37 24.3565 PRESSAVG: 2727000 -75.6292 7.21516 33.7125 7.21514 49.0839 30.9434 33.7124 30.9437 37.4353 GPRESSAVG: 2727000 -76.3428 7.026 36.0278 9.78212 49.0884 34.4101 28.9738 30.3085 38.0427 TIMING: 2727000 CPU: 7902.62, 0.00289697/step Wall: 7902.62, 0.00289697/step, 1.82911 hours remaining, 210.175781 MB of memory in use. ENERGY: 2727000 775.6587 2143.0841 1954.5916 112.0512 -206168.5486 17648.9914 0.0000 0.0000 34283.2700 -149250.9016 299.4043 -183534.1716 -149157.1037 298.9771 -97.1474 -66.8033 557149.6574 3.6300 3.5961 PRESSURE: 2727200 -49.7687 9.98101 125.157 9.98207 -63.9988 33.4567 125.157 33.4574 -0.672345 GPRESSURE: 2727200 -10.7171 19.5134 168.189 82.7676 -55.4212 -33.2825 58.8877 -7.41295 59.1028 PRESSAVG: 2727200 -29.0593 64.2605 37.042 64.2604 12.7878 -2.51946 37.0419 -2.51943 -6.046 GPRESSAVG: 2727200 -28.5918 64.1616 37.6285 63.2978 12.8127 -6.00976 38.0947 -0.893332 -6.28667 TIMING: 2727200 CPU: 7903.2, 0.00289314/step Wall: 7903.2, 0.00289314/step, 1.82653 hours remaining, 210.375000 MB of memory in use. ENERGY: 2727200 739.9404 2082.6476 1969.1110 106.1107 -206077.9540 17726.4673 0.0000 0.0000 34135.0149 -149318.6622 298.1096 -183453.6770 -149225.4251 299.2958 -38.1466 -2.3451 556542.6983 -7.4392 -7.3553 PRESSURE: 2727400 -41.5646 46.7979 18.397 46.7983 -176.403 -118.892 18.397 -118.894 -397.743 GPRESSURE: 2727400 -26.2971 43.402 -0.078545 45.5919 -141.889 -179.506 -39.913 -89.7949 -351.612 PRESSAVG: 2727400 -36.2214 44.1743 -13.6529 44.1743 22.3527 -13.7782 -13.6529 -13.7781 32.0114 GPRESSAVG: 2727400 -35.4518 44.9563 -16.0735 42.2898 21.4657 -11.5256 -13.0461 -15.3357 32.0602 TIMING: 2727400 CPU: 7903.78, 0.00287903/step Wall: 7903.78, 0.00287904/step, 1.81747 hours remaining, 210.375000 MB of memory in use. ENERGY: 2727400 760.2458 2105.1832 1970.1471 116.3611 -206203.1591 17529.3147 0.0000 0.0000 34233.3218 -149488.5853 298.9681 -183721.9072 -149391.9195 298.9570 -205.2368 -173.2660 555542.3847 6.0476 6.0247 PRESSURE: 2727600 221.058 4.17803 -150.773 4.17835 88.8291 82.2923 -150.774 82.2936 -102.329 GPRESSURE: 2727600 230.732 30.9518 -143.812 46.8199 129.631 89.0412 -76.0845 91.3317 -61.5152 PRESSAVG: 2727600 -25.9116 -27.8143 -50.911 -27.8143 -23.5471 8.27187 -50.911 8.27187 60.1083 GPRESSAVG: 2727600 -25.9029 -29.0103 -49.4389 -26.6663 -22.9991 7.87927 -49.0695 7.31004 60.3854 TIMING: 2727600 CPU: 7904.35, 0.00287984/step Wall: 7904.35, 0.00287984/step, 1.81782 hours remaining, 210.375000 MB of memory in use. ENERGY: 2727600 729.5889 2051.7251 1982.1667 109.2218 -206480.3965 18057.2154 0.0000 0.0000 34201.5656 -149348.9129 298.6908 -183550.4785 -149244.4915 298.6239 69.1861 99.6161 556499.4766 3.5499 3.8278 PRESSURE: 2727800 -37.2101 89.3633 37.5754 89.3639 7.53153 44.8397 37.5751 44.8392 12.6012 GPRESSURE: 2727800 -24.5564 97.0907 -14.5105 -45.8619 75.7729 54.5844 44.0226 33.4117 46.7071 PRESSAVG: 2727800 -82.1584 -9.72612 -16.9277 -9.72619 66.0217 46.3559 -16.9277 46.356 -4.38772 GPRESSAVG: 2727800 -81.9455 -7.83583 -18.0148 -10.1108 66.3894 48.2093 -17.3251 46.1097 -5.27127 TIMING: 2727800 CPU: 7904.93, 0.00289251/step Wall: 7904.93, 0.00289251/step, 1.82565 hours remaining, 210.375000 MB of memory in use. ENERGY: 2727800 709.5693 2029.8033 1956.4055 117.5724 -206176.1860 17671.8586 0.0000 0.0000 34131.2342 -149559.7427 298.0766 -183690.9770 -149468.1215 299.3488 -5.6924 32.6412 555805.2482 -6.8415 -6.9425 PRESSURE: 2728000 -131.482 -97.365 79.4578 -97.3656 -215.79 -13.8189 79.4568 -13.8192 -147.419 GPRESSURE: 2728000 -72.7801 -42.2677 -4.46668 -151.815 -251.176 -122.02 53.697 51.3082 -78.9342 PRESSAVG: 2728000 -10.7684 10.8376 5.1959 10.8376 -0.532783 -25.4922 5.19586 -25.4921 23.2025 GPRESSAVG: 2728000 -10.2182 9.79917 4.56806 10.7565 -0.090162 -28.4134 5.48715 -23.6344 21.9101 TIMING: 2728000 CPU: 7905.51, 0.00290337/step Wall: 7905.51, 0.00290337/step, 1.83235 hours remaining, 210.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2728000 736.1089 2096.5769 1948.9958 106.3003 -206229.5303 17639.3066 0.0000 0.0000 34291.6198 -149410.6220 299.4772 -183702.2418 -149315.8258 298.1919 -164.8970 -134.2967 556883.7227 3.9671 3.8672 PRESSURE: 2728200 -528.678 40.4809 -15.9545 40.4817 99.2482 -17.4062 -15.9554 -17.4071 -267.908 GPRESSURE: 2728200 -512.228 -1.7272 -55.4325 84.6538 135.445 -91.6986 49.856 27.9583 -227.012 PRESSAVG: 2728200 -35.7599 -30.5841 0.872738 -30.5842 28.8004 -70.4694 0.872795 -70.4694 9.63675 GPRESSAVG: 2728200 -35.6351 -29.6179 1.64684 -30.7474 27.4998 -68.5294 0.206023 -71.2525 10.9152 TIMING: 2728200 CPU: 7906.09, 0.00290333/step Wall: 7906.09, 0.00290333/step, 1.83216 hours remaining, 210.375000 MB of memory in use. ENERGY: 2728200 720.5452 2081.4199 1937.4031 126.9238 -205784.1336 17545.2750 0.0000 0.0000 34009.1156 -149363.4509 297.0101 -183372.5665 -149267.7002 298.6531 -232.4459 -201.2650 558887.0808 0.8924 0.9266 LDB: ============= START OF LOAD BALANCING ============== 7909.48 LDB: ============== END OF LOAD BALANCING =============== 7909.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7909.48 LDB: ============= START OF LOAD BALANCING ============== 7909.77 LDB: Largest compute 4820 load 0.026509 is 22.5% of average load 0.117913 LDB: Average compute 0.001749 is 1.5% of average load 0.117913 LDB: TIME 7909.77 LOAD: AVG 0.117913 MAX 0.177421 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.059 MB LDB: TIME 7909.77 LOAD: AVG 0.117913 MAX 0.177421 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.059 MB LDB: TIME 7909.77 LOAD: AVG 0.117913 MAX 0.177421 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7909.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7909.78 PRESSURE: 2728400 141.509 42.8119 66.7468 42.8115 32.8656 32.7235 66.7473 32.7226 56.8837 GPRESSURE: 2728400 118.47 28.2177 140.523 16.3741 84.8853 -43.883 -52.3223 94.9149 130.952 PRESSAVG: 2728400 -45.9825 1.28774 63.208 1.28792 14.7678 -16.0868 63.208 -16.0869 -39.6549 GPRESSAVG: 2728400 -46.8939 0.652464 62.7905 1.43333 14.6165 -16.2254 61.6958 -17.2238 -39.3351 TIMING: 2728400 CPU: 7906.68, 0.0029418/step Wall: 7906.68, 0.0029418/step, 1.85628 hours remaining, 209.585938 MB of memory in use. ENERGY: 2728400 694.2087 2058.1232 1954.8638 119.2269 -206068.8087 17750.3614 0.0000 0.0000 34218.6275 -149273.3972 298.8398 -183492.0247 -149171.4519 298.9582 77.0861 111.4357 557231.2938 -23.6232 -23.8708 PRESSURE: 2728600 75.951 -31.5431 135.027 -31.543 320.015 -49.0269 135.027 -49.0277 279.447 GPRESSURE: 2728600 106.246 -56.0267 81.3884 19.5307 349.817 -129.536 134.941 -39.9893 297.089 PRESSAVG: 2728600 -3.10637 -1.50914 36.8377 -1.50913 65.1642 5.2198 36.8377 5.21997 -58.3883 GPRESSAVG: 2728600 -3.08938 -0.727975 36.5703 -1.67079 66.0204 4.02693 39.079 6.14428 -58.9283 TIMING: 2728600 CPU: 7907.26, 0.00290897/step Wall: 7907.26, 0.00290897/step, 1.8354 hours remaining, 209.789062 MB of memory in use. ENERGY: 2728600 744.6173 2099.6423 1959.9880 119.1894 -206293.1904 17984.7751 0.0000 0.0000 34303.0938 -149081.8844 299.5775 -183384.9782 -148986.2052 299.4843 225.1379 251.0505 558563.4617 1.2232 1.3342 PRESSURE: 2728800 -393.549 150.036 -12.2747 150.037 -11.6631 -56.8787 -12.2743 -56.8808 -75.8634 GPRESSURE: 2728800 -382.807 132.717 -40.9504 88.4309 -47.2369 -81.3353 59.254 37.9946 32.7631 PRESSAVG: 2728800 25.9821 10.4069 -11.7863 10.4069 -5.44486 1.49337 -11.7862 1.49337 16.3927 GPRESSAVG: 2728800 26.1813 11.004 -11.9003 10.7093 -5.32093 2.47603 -12.9018 2.57002 16.3707 TIMING: 2728800 CPU: 7907.85, 0.00291564/step Wall: 7907.85, 0.00291564/step, 1.83945 hours remaining, 209.789062 MB of memory in use. ENERGY: 2728800 773.8439 2086.8114 1938.8366 108.7537 -205847.6181 17667.0185 0.0000 0.0000 34172.8850 -149099.4691 298.4403 -183272.3542 -149007.2213 299.7385 -160.3585 -132.4270 559594.6507 12.3100 12.4104 PRESSURE: 2729000 112.438 -79.8343 -69.1111 -79.8346 124.968 -8.70084 -69.1112 -8.69976 183.618 GPRESSURE: 2729000 162.789 -92.7414 -8.62849 -85.5819 109.399 -35.6503 0.460856 -96.7673 248.891 PRESSAVG: 2729000 32.244 22.5281 23.9805 22.5281 -60.6606 37.2928 23.9804 37.2927 5.85232 GPRESSAVG: 2729000 33.308 23.5714 24.9994 20.1792 -61.7572 36.8191 23.5506 36.6187 5.78766 TIMING: 2729000 CPU: 7908.43, 0.00290375/step Wall: 7908.43, 0.00290375/step, 1.83178 hours remaining, 209.789062 MB of memory in use. ENERGY: 2729000 726.3761 2099.6187 1959.4855 108.5690 -206117.3440 17862.0982 0.0000 0.0000 34206.4275 -149154.7690 298.7332 -183361.1965 -149058.5234 299.4450 140.3415 173.6928 556834.1662 -7.5214 -7.5539 PRESSURE: 2729200 60.853 138.901 82.7278 138.901 -238.2 -180.34 82.7288 -180.34 224.321 GPRESSURE: 2729200 54.6085 151.018 86.6613 140.463 -139.925 -181.3 94.5681 -194.446 230.636 PRESSAVG: 2729200 40.0435 -8.28828 51.1741 -8.28822 -22.1013 -63.3387 51.1742 -63.3387 6.12877 GPRESSAVG: 2729200 38.3785 -9.28922 49.9603 -8.36106 -19.856 -64.1061 51.3965 -63.4225 6.13409 TIMING: 2729200 CPU: 7909.01, 0.0028936/step Wall: 7909.01, 0.0028936/step, 1.82522 hours remaining, 209.789062 MB of memory in use. ENERGY: 2729200 734.8429 2100.0249 1964.1550 126.9489 -206172.2649 17817.2761 0.0000 0.0000 34200.1508 -149228.8663 298.6784 -183429.0171 -149136.0628 299.0856 15.6581 48.4396 557276.9619 8.0237 8.2188 PRESSURE: 2729400 -45.4598 26.2063 76.2322 26.2061 -201.157 -10.1806 76.2313 -10.1802 -151.878 GPRESSURE: 2729400 -28.4322 57.1291 98.3463 13.3766 -145.437 -86.6102 90.4414 13.9344 -124.217 PRESSAVG: 2729400 23.3886 18.0821 -0.112528 18.0821 -28.9925 -9.40113 -0.112717 -9.40111 -31.4164 GPRESSAVG: 2729400 25.2348 16.6829 0.28272 21.417 -30.8354 -9.26474 1.82669 -9.16659 -31.4787 TIMING: 2729400 CPU: 7909.58, 0.00288527/step Wall: 7909.58, 0.00288527/step, 1.81981 hours remaining, 209.789062 MB of memory in use. ENERGY: 2729400 752.4998 2116.0414 1930.2304 119.1607 -205841.9656 17537.2189 0.0000 0.0000 34105.0482 -149281.7663 297.8479 -183386.8144 -149189.3432 299.6265 -132.8316 -99.3620 558145.0640 -12.3401 -12.3598 PRESSURE: 2729600 -134.95 -3.45556 4.57864 -3.45593 -140.029 144.627 4.57825 144.628 -326.746 GPRESSURE: 2729600 -153.18 51.5112 52.1337 -2.91345 -148.564 205.716 -58.5047 134.663 -206.624 PRESSAVG: 2729600 -14.3356 10.6487 -2.53883 10.6486 26.0799 42.205 -2.53886 42.2051 -11.9141 GPRESSAVG: 2729600 -14.3941 11.0776 -2.64536 9.90418 26.2814 42.2521 -4.31201 41.5957 -12.2517 TIMING: 2729600 CPU: 7910.16, 0.00289518/step Wall: 7910.16, 0.00289518/step, 1.82589 hours remaining, 209.789062 MB of memory in use. ENERGY: 2729600 765.9716 2068.9163 1955.4373 113.3680 -205515.9598 17406.6718 0.0000 0.0000 34050.0768 -149155.5181 297.3678 -183205.5948 -149052.1301 299.6259 -200.5751 -169.4557 558399.5063 -0.0566 -0.1215 PRESSURE: 2729800 210.073 75.8325 215.273 75.831 128.458 66.9651 215.274 66.9643 168.553 GPRESSURE: 2729800 216.369 31.4316 279.224 65.5568 184.991 84.6289 139.353 58.6709 200.447 PRESSAVG: 2729800 74.1662 -17.3369 -48.9323 -17.3369 -44.0597 8.97266 -48.9323 8.97266 -36.8909 GPRESSAVG: 2729800 73.6913 -18.6231 -49.4482 -16.7505 -43.5123 10.4367 -46.2315 9.76401 -37.0484 TIMING: 2729800 CPU: 7910.74, 0.0028898/step Wall: 7910.74, 0.0028898/step, 1.82234 hours remaining, 209.789062 MB of memory in use. ENERGY: 2729800 751.4705 2078.5667 1937.8298 102.7167 -206575.8369 18082.5223 0.0000 0.0000 34502.8521 -149119.8788 301.3220 -183622.7309 -149015.5639 299.3981 169.0280 200.6021 554870.6137 -2.2614 -2.2898 PRESSURE: 2730000 -272.331 -15.7859 -126.297 -15.7865 -13.8635 41.0375 -126.298 41.0364 -207.984 GPRESSURE: 2730000 -280.953 3.22594 -145.485 56.6602 -5.10672 8.54264 -120.249 16.4593 -105.66 PRESSAVG: 2730000 57.2799 -17.0385 -15.2276 -17.0386 8.30586 -0.188387 -15.2275 -0.188206 -1.98879 GPRESSAVG: 2730000 56.3789 -15.6574 -17.8906 -16.8931 8.19445 -0.23736 -16.2785 -2.74012 -1.18076 TIMING: 2730000 CPU: 7911.32, 0.00288428/step Wall: 7911.32, 0.00288428/step, 1.8187 hours remaining, 209.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2730000 759.3292 2125.7155 1940.0397 104.2634 -205809.7138 17584.6882 0.0000 0.0000 34224.7628 -149070.9151 298.8934 -183295.6779 -148971.5383 299.7413 -164.7264 -130.5735 558760.2315 21.1990 21.1309 PRESSURE: 2730200 45.5081 28.7861 -120.251 28.7855 161.711 87.6429 -120.251 87.6422 323.497 GPRESSURE: 2730200 71.2495 61.9337 -120.059 90.7686 267.859 154.75 -107.124 34.9191 286.383 PRESSAVG: 2730200 24.0385 22.66 -15.3809 22.6601 -46.3392 36.1228 -15.3809 36.1228 -52.8745 GPRESSAVG: 2730200 24.1238 23.1226 -12.0069 22.4956 -45.8653 34.2367 -15.5115 37.7155 -53.6971 TIMING: 2730200 CPU: 7911.89, 0.00287008/step Wall: 7911.89, 0.00287008/step, 1.80958 hours remaining, 209.789062 MB of memory in use. ENERGY: 2730200 766.6896 2072.3628 1940.1291 100.4159 -206344.5507 17993.4040 0.0000 0.0000 34517.7108 -148953.8385 301.4518 -183471.5493 -148861.7283 300.1368 176.9052 208.4972 556754.4539 -25.0584 -25.1462 PRESSURE: 2730400 67.7316 -101.623 60.4856 -101.623 103.367 126.134 60.4838 126.134 105.138 GPRESSURE: 2730400 72.0272 -181.076 9.07285 2.34382 168.831 114.861 68.6346 91.508 131.465 PRESSAVG: 2730400 -52.4305 -9.52471 -10.0168 -9.52473 10.5969 74.8666 -10.0168 74.8665 61.0832 GPRESSAVG: 2730400 -52.4362 -10.5203 -11.5663 -9.31278 9.21682 77.3948 -10.4107 75.4089 61.9241 TIMING: 2730400 CPU: 7912.47, 0.00287767/step Wall: 7912.47, 0.00287767/step, 1.81421 hours remaining, 209.789062 MB of memory in use. ENERGY: 2730400 695.6700 2141.8021 1955.0007 109.2080 -206074.5886 17836.8697 0.0000 0.0000 34220.5007 -149115.5374 298.8561 -183336.0381 -149023.7263 299.8798 92.0786 124.1077 556760.6619 6.4165 6.2349 PRESSURE: 2730600 -41.9372 56.0061 2.48659 56.0071 -166.658 -86.6092 2.48592 -86.6101 -160.058 GPRESSURE: 2730600 3.13083 89.423 -45.9979 60.0146 -209.73 -113.636 -26.8263 -107.044 -54.0673 PRESSAVG: 2730600 -1.80065 36.5047 -5.94582 36.5047 -34.4699 16.3374 -5.94582 16.3375 21.6709 GPRESSAVG: 2730600 -2.26601 36.7152 -5.23686 36.1064 -34.0437 16.1649 -4.36238 16.7281 21.8785 TIMING: 2730600 CPU: 7913.04, 0.00288495/step Wall: 7913.04, 0.00288495/step, 1.81864 hours remaining, 209.789062 MB of memory in use. ENERGY: 2730600 736.7848 2089.9041 1935.3740 105.4419 -206172.3895 17651.9030 0.0000 0.0000 34310.6318 -149342.3500 299.6433 -183652.9818 -149247.3390 299.3319 -122.8845 -86.8889 555930.0213 -4.8665 -4.8104 PRESSURE: 2730800 -7.83246 -69.56 80.2906 -69.5586 108.177 140.453 80.2908 140.453 101.245 GPRESSURE: 2730800 -15.9381 -35.0064 83.3344 -79.0727 166.452 111.739 70.4722 63.1615 152.402 PRESSAVG: 2730800 -11.862 -12.5099 24.1294 -12.51 -41.0034 -30.5495 24.1294 -30.5495 72.8937 GPRESSAVG: 2730800 -12.2399 -13.3211 24.0784 -15.6594 -40.8496 -30.1927 24.6391 -30.1798 72.6366 TIMING: 2730800 CPU: 7913.62, 0.00289518/step Wall: 7913.62, 0.00289518/step, 1.82493 hours remaining, 209.789062 MB of memory in use. ENERGY: 2730800 740.9653 2105.3523 1945.6061 110.1492 -206360.5428 17842.2940 0.0000 0.0000 34357.0883 -149259.0876 300.0490 -183616.1759 -149161.9286 299.5414 67.1965 100.9717 554920.7771 6.6761 6.5157 PRESSURE: 2731000 133.026 31.6332 -7.56989 31.6333 -496.704 140.814 -7.56993 140.815 -64.2731 GPRESSURE: 2731000 222.567 -68.5845 22.6825 63.5419 -437.506 168.876 -7.56467 140.222 -109.877 PRESSAVG: 2731000 23.5715 -33.4545 49.557 -33.4545 -52.0031 3.46844 49.557 3.46844 35.3379 GPRESSAVG: 2731000 24.2686 -33.1185 50.8451 -30.1935 -52.2508 0.622088 46.2101 4.24126 35.3913 TIMING: 2731000 CPU: 7914.2, 0.00290394/step Wall: 7914.2, 0.00290394/step, 1.83029 hours remaining, 209.789062 MB of memory in use. ENERGY: 2731000 725.9705 2084.6621 1971.0758 118.4535 -205722.4486 17488.2467 0.0000 0.0000 33924.4646 -149409.5755 296.2708 -183334.0400 -149314.6120 298.8736 -142.6503 -108.2719 556891.5400 2.3021 2.4697 PRESSURE: 2731200 171.11 11.6085 -56.9592 11.6086 183.061 -7.7931 -56.959 -7.79462 50.2599 GPRESSURE: 2731200 192.679 -41.0482 -146.05 25.5897 199.02 -9.88663 -34.0611 -89.5707 106.345 PRESSAVG: 2731200 61.404 -4.82916 -26.1044 -4.82917 -20.1708 -31.9347 -26.1044 -31.9347 -38.345 GPRESSAVG: 2731200 60.9059 -5.2649 -27.7148 -5.78691 -19.3806 -30.9072 -24.7614 -35.3229 -38.2184 TIMING: 2731200 CPU: 7914.78, 0.00288903/step Wall: 7914.78, 0.00288903/step, 1.82073 hours remaining, 209.789062 MB of memory in use. ENERGY: 2731200 738.1800 2120.0157 1941.2596 115.7928 -206681.8050 18095.0977 0.0000 0.0000 34339.9741 -149331.4852 299.8995 -183671.4593 -149237.9781 298.1884 134.8104 166.0143 557258.1816 0.9627 1.1023 PRESSURE: 2731400 270.19 39.2799 119.872 39.2794 -153.373 144.358 119.871 144.358 113.045 GPRESSURE: 2731400 302.371 -21.8374 229.692 140.367 -165.415 109.471 103.749 156.259 188.388 PRESSAVG: 2731400 29.2529 -50.8717 3.70065 -50.8716 -18.9234 -50.7865 3.70071 -50.7865 -4.80879 GPRESSAVG: 2731400 31.0802 -50.7455 4.31225 -51.3545 -19.9226 -50.1783 3.55299 -49.9171 -5.43861 TIMING: 2731400 CPU: 7915.36, 0.00289312/step Wall: 7915.36, 0.00289313/step, 1.82315 hours remaining, 209.789062 MB of memory in use. ENERGY: 2731400 734.8481 2096.1556 1925.3770 109.0231 -206803.8701 18105.3741 0.0000 0.0000 34359.7138 -149473.3784 300.0719 -183833.0922 -149371.1190 298.2189 76.6208 108.4481 556177.9475 1.8402 1.9063 PRESSURE: 2731600 -52.1047 -16.2837 34.9005 -16.284 -119.905 -29.7094 34.9018 -29.7088 91.1374 GPRESSURE: 2731600 -70.0293 5.8979 50.1995 -8.11711 -50.7439 -64.645 33.9226 -48.1584 144.583 PRESSAVG: 2731600 -0.379472 -37.2778 63.5642 -37.2778 -47.96 -43.0741 63.564 -43.0741 32.6568 GPRESSAVG: 2731600 -1.6375 -36.468 63.2812 -38.6471 -46.7331 -42.4906 63.582 -43.65 32.9791 TIMING: 2731600 CPU: 7915.93, 0.00287689/step Wall: 7915.93, 0.00287689/step, 1.81276 hours remaining, 209.789062 MB of memory in use. ENERGY: 2731600 701.7625 2133.3740 1963.8521 113.3737 -206241.1341 17873.0768 0.0000 0.0000 34064.5227 -149391.1723 297.4939 -183455.6950 -149296.7692 299.1510 -26.9575 7.9366 557105.4095 -5.2276 -5.1305 PRESSURE: 2731800 -32.6502 47.1453 -7.75715 47.1463 115.596 -141.75 -7.75691 -141.75 100.668 GPRESSURE: 2731800 12.4981 -6.1346 10.9782 58.6265 137.745 -225.126 -33.5722 -90.1295 117.463 PRESSAVG: 2731800 11.7042 17.5298 -43.1189 17.5299 51.9123 16.7148 -43.1189 16.7148 -6.47598 GPRESSAVG: 2731800 10.5254 17.7265 -41.6619 18.2481 52.348 16.4078 -42.2949 18.4311 -6.29761 TIMING: 2731800 CPU: 7916.51, 0.00289406/step Wall: 7916.51, 0.00289406/step, 1.82342 hours remaining, 209.789062 MB of memory in use. ENERGY: 2731800 685.7791 2076.9571 1951.6843 114.8655 -206362.2492 17802.0083 0.0000 0.0000 34284.8576 -149446.0973 299.4182 -183730.9550 -149345.2187 298.6295 61.2047 89.2351 556740.4443 19.0468 18.8586 PRESSURE: 2732000 -90.4886 -62.7903 -14.236 -62.7897 -255.239 92.47 -14.2341 92.4709 -150.947 GPRESSURE: 2732000 -52.2293 -7.81984 -14.3252 -10.9607 -259.139 96.3507 -36.6448 137.395 -91.6021 PRESSAVG: 2732000 32.5803 -14.6974 13.6767 -14.6975 10.3564 6.88751 13.6766 6.88746 -6.7053 GPRESSAVG: 2732000 33.6624 -14.1772 13.7837 -14.3866 9.80755 6.801 12.4944 6.24804 -7.23247 TIMING: 2732000 CPU: 7917.09, 0.00290229/step Wall: 7917.09, 0.00290229/step, 1.82844 hours remaining, 209.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2732000 752.4120 2097.1626 1931.9854 103.0684 -206066.3362 17650.9051 0.0000 0.0000 34170.2947 -149360.5080 298.4177 -183530.8027 -149259.8342 298.5075 -165.5583 -134.3234 558620.6143 12.0771 12.0792 PRESSURE: 2732200 -47.9432 -35.3567 -200.068 -35.357 -76.5894 100.409 -200.066 100.409 78.045 GPRESSURE: 2732200 -22.3541 -154.654 -215.659 -17.6521 9.15157 47.2769 -182.649 142.101 53.7756 PRESSAVG: 2732200 58.903 -19.0767 25.8654 -19.0767 -17.0394 19.5172 25.8652 19.5172 -55.7103 GPRESSAVG: 2732200 59.1102 -22.3852 27.2911 -20.0763 -16.3719 20.2425 22.1571 21.3233 -56.2384 TIMING: 2732200 CPU: 7917.67, 0.00288652/step Wall: 7917.67, 0.00288652/step, 1.81835 hours remaining, 209.789062 MB of memory in use. ENERGY: 2732200 756.5807 2109.5954 1934.6228 101.7857 -206154.2056 17789.3615 0.0000 0.0000 34107.5756 -149354.6838 297.8699 -183462.2594 -149260.2476 299.0602 -15.4958 13.5244 557002.0947 -4.6155 -4.5000 LDB: ============= START OF LOAD BALANCING ============== 7921.06 LDB: ============== END OF LOAD BALANCING =============== 7921.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7921.06 LDB: ============= START OF LOAD BALANCING ============== 7921.35 LDB: Largest compute 4820 load 0.026406 is 22.4% of average load 0.117924 LDB: Average compute 0.001750 is 1.5% of average load 0.117924 LDB: TIME 7921.35 LOAD: AVG 0.117924 MAX 0.180374 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.176 MB LDB: TIME 7921.35 LOAD: AVG 0.117924 MAX 0.180374 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: TIME 7921.35 LOAD: AVG 0.117924 MAX 0.180374 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: ============== END OF LOAD BALANCING =============== 7921.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7921.36 PRESSURE: 2732400 205.653 8.51215 -120.667 8.51313 258.808 -56.8988 -120.666 -56.8992 20.1152 GPRESSURE: 2732400 243.331 24.5298 -97.9393 35.5718 254.005 -16.1754 -197.128 40.4847 88.005 PRESSAVG: 2732400 65.9062 -5.41212 -13.0741 -5.41216 -29.6426 -32.3098 -13.0742 -32.3098 35.65 GPRESSAVG: 2732400 66.3288 -2.03906 -14.6634 -3.35209 -31.6035 -32.2708 -11.4521 -34.1096 36.9245 TIMING: 2732400 CPU: 7918.26, 0.00296398/step Wall: 7918.26, 0.00296398/step, 1.86698 hours remaining, 208.175781 MB of memory in use. ENERGY: 2732400 770.0348 2052.1582 1933.0737 108.9829 -206589.8839 18018.0636 0.0000 0.0000 34313.6579 -149393.9128 299.6697 -183707.5706 -149300.2020 299.0969 161.5254 195.1136 555830.4602 23.9712 23.8833 PRESSURE: 2732600 -280.565 -128.772 25.9708 -128.771 19.8652 45.2028 25.9695 45.2036 -69.7778 GPRESSURE: 2732600 -175.498 -102.923 -26.494 -77.453 -39.4539 53.0246 47.6349 45.0149 -18.4031 PRESSAVG: 2732600 -44.832 -48.4557 15.6648 -48.4556 26.8572 -3.63839 15.6649 -3.63844 39.9495 GPRESSAVG: 2732600 -44.455 -49.7943 17.0892 -47.9224 26.0306 -4.83576 15.5911 -4.00508 39.6986 TIMING: 2732600 CPU: 7918.84, 0.00288494/step Wall: 7918.84, 0.00288494/step, 1.81703 hours remaining, 208.175781 MB of memory in use. ENERGY: 2732600 745.8119 2053.9850 1956.8965 118.3417 -206148.7094 17565.7395 0.0000 0.0000 34357.8268 -149350.1080 300.0554 -183707.9348 -149248.4749 299.2134 -110.1591 -77.7849 556793.5977 7.3249 7.0914 PRESSURE: 2732800 62.8351 3.42012 71.0266 3.42045 18.7415 44.5921 71.0252 44.5928 -207.09 GPRESSURE: 2732800 85.2998 49.8154 -30.4022 -67.7316 62.2284 63.798 157.732 20.6672 -165.463 PRESSAVG: 2732800 -28.7306 -3.92216 32.792 -3.92212 3.23008 -25.7291 32.7919 -25.7291 30.5211 GPRESSAVG: 2732800 -27.923 -3.12 32.028 -6.1256 4.53629 -24.2993 33.5991 -26.0048 28.8886 TIMING: 2732800 CPU: 7919.42, 0.00291149/step Wall: 7919.42, 0.00291149/step, 1.83359 hours remaining, 208.175781 MB of memory in use. ENERGY: 2732800 708.4616 2067.3466 1949.9369 105.3659 -206132.6664 17687.3091 0.0000 0.0000 34275.1838 -149339.0625 299.3337 -183614.2463 -149240.1136 299.8417 -41.8377 -5.9784 557519.3812 1.6735 1.8340 PRESSURE: 2733000 -260.631 67.0214 7.47033 67.021 -79.539 -70.2155 7.46949 -70.2167 -56.2452 GPRESSURE: 2733000 -249.468 46.9773 25.2773 90.8523 -7.02701 -3.9146 32.9982 -186.183 -39.1889 PRESSAVG: 2733000 -37.0606 -43.6031 -15.7714 -43.603 -57.6563 20.8694 -15.7714 20.8694 67.3735 GPRESSAVG: 2733000 -36.3194 -45.7262 -15.0421 -41.3506 -57.8875 19.3012 -16.9556 19.9739 67.161 TIMING: 2733000 CPU: 7920, 0.00289667/step Wall: 7920, 0.00289667/step, 1.8241 hours remaining, 208.175781 MB of memory in use. ENERGY: 2733000 763.7275 2063.6853 1967.1797 116.2594 -206278.3502 17684.6891 0.0000 0.0000 34121.0531 -149561.7560 297.9876 -183682.8091 -149467.1194 298.4525 -132.1385 -98.5613 556984.1396 -9.1145 -9.0153 PRESSURE: 2733200 -154.948 56.2926 -11.7897 56.2942 9.41546 107.094 -11.7893 107.093 -18.8157 GPRESSURE: 2733200 -136.692 67.6263 -50.9079 29.1566 7.58927 139.894 -25.2154 156.313 54.5371 PRESSAVG: 2733200 -44.3817 34.406 23.7799 34.406 8.21169 -19.7431 23.7799 -19.7432 37.593 GPRESSAVG: 2733200 -45.0148 35.2191 22.6385 30.7355 8.14605 -19.5556 24.5163 -19.2104 37.8759 TIMING: 2733200 CPU: 7920.58, 0.00290191/step Wall: 7920.58, 0.00290191/step, 1.82724 hours remaining, 208.175781 MB of memory in use. ENERGY: 2733200 727.5637 2131.3662 1963.2841 127.8787 -206603.4882 17689.5067 0.0000 0.0000 34467.9226 -149495.9661 301.0169 -183963.8887 -149394.8154 298.8937 -54.7828 -24.8553 556772.4914 0.4743 0.3357 PRESSURE: 2733400 241.812 89.6662 119.283 89.6666 285.102 78.1414 119.283 78.1417 175.517 GPRESSURE: 2733400 247.793 87.4737 119.889 1.00831 302.118 85.9423 76.7808 34.4617 243.289 PRESSAVG: 2733400 3.66167 25.3064 -9.27612 25.3063 0.166216 53.6869 -9.27613 53.6869 5.0328 GPRESSAVG: 2733400 2.08757 25.6192 -10.6466 27.4383 1.85867 52.8798 -8.6704 54.0891 4.62971 TIMING: 2733400 CPU: 7921.16, 0.00290126/step Wall: 7921.16, 0.00290126/step, 1.82667 hours remaining, 208.175781 MB of memory in use. ENERGY: 2733400 747.3110 2110.1165 1949.6553 100.6363 -206866.3982 18381.4447 0.0000 0.0000 34214.1715 -149363.0628 298.8009 -183577.2344 -149269.2428 299.0118 234.1437 264.4001 557229.0683 2.9536 2.8586 PRESSURE: 2733600 -234.83 65.5212 62.2165 65.5205 132.254 2.72347 62.2165 2.72273 8.68194 GPRESSURE: 2733600 -209.114 57.9078 166.147 42.7981 151.697 14.8658 102.621 43.0964 56.0298 PRESSAVG: 2733600 -62.0171 -14.4194 11.8474 -14.4194 -3.67894 3.55715 11.8474 3.55713 68.8552 GPRESSAVG: 2733600 -61.937 -15.3506 12.7506 -16.1452 -4.45256 5.78023 12.2348 2.55434 69.5514 TIMING: 2733600 CPU: 7921.74, 0.00288203/step Wall: 7921.74, 0.00288203/step, 1.8144 hours remaining, 208.175781 MB of memory in use. ENERGY: 2733600 758.4043 2134.1910 1957.7226 123.1774 -206596.7421 17974.4815 0.0000 0.0000 34075.0223 -149573.7430 297.5856 -183648.7652 -149479.4975 298.2849 -31.2980 -0.4623 557383.0135 1.0531 1.0540 PRESSURE: 2733800 20.8551 237.248 -164.792 237.249 -136.241 38.5538 -164.792 38.5537 -168.632 GPRESSURE: 2733800 85.7508 198.486 -155.574 234.086 -88.2572 8.27174 -164.294 58.7721 -181.715 PRESSAVG: 2733800 -24.4148 19.919 16.3025 19.919 -30.3884 -72.7202 16.3025 -72.7202 35.0028 GPRESSAVG: 2733800 -23.0104 21.453 16.9762 21.6118 -31.0322 -73.205 16.4742 -72.3127 34.33 TIMING: 2733800 CPU: 7922.32, 0.00289032/step Wall: 7922.32, 0.00289032/step, 1.81946 hours remaining, 208.175781 MB of memory in use. ENERGY: 2733800 709.2045 2086.4505 1946.6479 107.6771 -205951.5456 17539.1927 0.0000 0.0000 33885.1863 -149677.1867 295.9278 -183562.3730 -149579.6510 298.3700 -94.6725 -61.4070 557019.8771 -6.6001 -6.5709 PRESSURE: 2734000 108.999 77.0836 -78.1833 77.0829 412.346 -116.59 -78.1842 -116.591 -208.298 GPRESSURE: 2734000 99.9643 100.973 -112.602 41.6663 435.196 -123.915 -16.1754 -138.513 -127.979 PRESSAVG: 2734000 18.154 29.9041 37.6759 29.9041 -8.08115 -24.9955 37.676 -24.9954 -2.3892 GPRESSAVG: 2734000 18.4394 28.4399 36.3584 29.8793 -7.402 -25.2077 38.3901 -26.1818 -2.71285 TIMING: 2734000 CPU: 7922.9, 0.00292203/step Wall: 7922.9, 0.00292203/step, 1.83926 hours remaining, 208.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2734000 708.8423 2092.8479 1968.5169 111.4597 -207007.8509 18110.0850 0.0000 0.0000 34138.9854 -149877.1136 298.1443 -184016.0990 -149778.4756 297.2231 104.3489 135.7270 557039.1334 2.5612 2.7748 PRESSURE: 2734200 113.305 60.3921 143.29 60.3931 -163.691 -90.2284 143.29 -90.2319 188.871 GPRESSURE: 2734200 163.35 42.6379 129.954 5.24502 -171.074 -77.4407 96.3203 -33.3672 236.863 PRESSAVG: 2734200 35.0228 49.6171 33.3974 49.6171 5.60611 -2.48219 33.3974 -2.48218 -53.9791 GPRESSAVG: 2734200 33.1427 51.7075 32.7497 47.8263 5.12613 -5.79262 32.1682 1.20754 -52.4877 TIMING: 2734200 CPU: 7923.49, 0.00292043/step Wall: 7923.49, 0.00292043/step, 1.83809 hours remaining, 208.175781 MB of memory in use. ENERGY: 2734200 735.2416 2065.7780 1958.5455 112.2215 -206837.2928 18087.5178 0.0000 0.0000 34058.9442 -149819.0441 297.4452 -183877.9883 -149730.1900 297.2990 46.1616 76.3797 558421.9184 -4.4501 -4.7396 PRESSURE: 2734400 118.071 -9.21206 17.2366 -9.21223 0.386549 167.266 17.2369 167.265 42.835 GPRESSURE: 2734400 216.966 -39.3458 35.6782 -81.7772 -12.563 105.168 78.063 190.691 44.4683 PRESSAVG: 2734400 25.6683 6.91011 13.5789 6.91019 -41.8791 -56.2512 13.5789 -56.2512 19.5181 GPRESSAVG: 2734400 27.2874 6.1033 16.2144 8.77838 -41.8794 -54.6572 13.1553 -58.3198 18.552 TIMING: 2734400 CPU: 7924.07, 0.00290874/step Wall: 7924.07, 0.00290874/step, 1.83057 hours remaining, 208.175781 MB of memory in use. ENERGY: 2734400 710.4473 2089.4914 1942.8399 104.4733 -206446.8262 17971.7760 0.0000 0.0000 33970.5364 -149657.2618 296.6731 -183627.7982 -149552.6601 297.5134 53.7643 82.9572 557213.3024 1.1024 1.3200 PRESSURE: 2734600 -206.404 188.9 -64.1251 188.901 -98.8976 121.551 -64.1258 121.551 36.4199 GPRESSURE: 2734600 -143.592 146.093 -7.58754 245.04 -48.742 61.8611 -117.887 161.278 18.876 PRESSAVG: 2734600 -9.40605 39.5561 27.8151 39.556 -26.4848 11.3582 27.815 11.3582 40.0351 GPRESSAVG: 2734600 -8.68741 38.8008 26.8137 38.2366 -26.5341 12.8647 27.3843 10.0603 40.008 TIMING: 2734600 CPU: 7924.65, 0.00291435/step Wall: 7924.65, 0.00291435/step, 1.83394 hours remaining, 208.175781 MB of memory in use. ENERGY: 2734600 794.5789 2140.6053 1957.3574 115.8218 -206666.6371 17957.0844 0.0000 0.0000 34241.3897 -149459.7996 299.0386 -183701.1893 -149370.4338 298.2788 -89.6271 -57.8194 557718.1182 1.3814 1.5955 PRESSURE: 2734800 72.7828 99.0351 2.96501 99.0329 -40.9452 49.3795 2.96604 49.38 -7.9997 GPRESSURE: 2734800 86.0917 108.178 -43.165 140.859 37.2719 32.4107 -76.5402 61.2908 18.162 PRESSAVG: 2734800 -37.8737 -11.288 -22.9667 -11.288 -26.2833 13.6807 -22.9667 13.6807 19.6391 GPRESSAVG: 2734800 -39.6611 -11.0689 -21.0321 -10.1026 -24.197 13.575 -24.6167 14.0649 19.631 TIMING: 2734800 CPU: 7925.23, 0.00289464/step Wall: 7925.23, 0.00289464/step, 1.82137 hours remaining, 208.175781 MB of memory in use. ENERGY: 2734800 759.7992 2127.8269 1969.3742 107.3692 -206625.1867 18000.9196 0.0000 0.0000 34231.1641 -149428.7335 298.9493 -183659.8976 -149330.3785 298.4491 7.9460 47.1752 556833.1200 -14.8393 -14.7424 PRESSURE: 2735000 40.4976 11.679 -35.0225 11.6795 192.125 132.222 -35.023 132.224 108.91 GPRESSURE: 2735000 23.1914 25.3884 -19.4291 6.61287 246.155 128.175 41.338 109.216 171.11 PRESSAVG: 2735000 -46.8305 47.4515 -26.5811 47.4515 61.2927 7.88744 -26.5811 7.88742 33.6219 GPRESSAVG: 2735000 -46.328 47.268 -26.817 46.3762 59.9802 9.59598 -25.1122 8.07923 34.4552 TIMING: 2735000 CPU: 7925.81, 0.00291521/step Wall: 7925.81, 0.00291521/step, 1.83415 hours remaining, 208.175781 MB of memory in use. ENERGY: 2735000 771.7078 2080.9183 1949.0855 112.0220 -206807.4978 18168.8417 0.0000 0.0000 34345.2722 -149379.6503 299.9458 -183724.9226 -149284.1612 298.5046 113.8441 146.8186 556936.9829 16.0280 16.0358 PRESSURE: 2735200 -266.318 13.5433 -89.8168 13.5443 -64.2435 -32.0248 -89.8173 -32.0248 -137.332 GPRESSURE: 2735200 -299.768 -25.3951 -35.8537 28.6267 37.3282 -10.728 -110.722 14.7187 -105.424 PRESSAVG: 2735200 14.8069 46.5996 24.2445 46.5996 -54.1828 15.6406 24.2445 15.6406 75.7413 GPRESSAVG: 2735200 14.7757 47.5199 22.9378 45.9508 -54.5484 14.3368 26.0696 15.2018 76.7455 TIMING: 2735200 CPU: 7926.4, 0.00292107/step Wall: 7926.4, 0.00292107/step, 1.83768 hours remaining, 208.175781 MB of memory in use. ENERGY: 2735200 718.6825 2091.4544 1985.9000 116.0884 -205880.8067 17533.5223 0.0000 0.0000 34147.5347 -149287.6244 298.2189 -183435.1590 -149186.6304 298.5198 -155.9647 -122.6214 558680.8753 12.1218 12.3243 PRESSURE: 2735400 -180.713 -23.008 -166.825 -23.0088 137.757 63.4202 -166.825 63.4209 -102.47 GPRESSURE: 2735400 -158.117 -25.2276 -239.755 26.0659 184.517 95.6619 -124.573 46.7601 -74.874 PRESSAVG: 2735400 -28.4629 11.7699 13.5893 11.7699 47.3182 4.29948 13.5892 4.29946 -40.6985 GPRESSAVG: 2735400 -27.5998 11.0765 12.2205 13.4742 47.2593 4.40551 12.0759 4.07078 -41.0892 TIMING: 2735400 CPU: 7926.98, 0.00290986/step Wall: 7926.98, 0.00290986/step, 1.83047 hours remaining, 208.175781 MB of memory in use. ENERGY: 2735400 704.6642 2081.9078 1941.3975 113.6937 -206475.4819 17891.2963 0.0000 0.0000 34413.1920 -149329.3303 300.5390 -183742.5223 -149228.8578 299.2148 -48.4754 -16.1579 558291.9604 -7.2810 -7.1432 PRESSURE: 2735600 35.1619 53.6347 -201.197 53.6351 144.216 -56.6864 -201.198 -56.6874 -24.4722 GPRESSURE: 2735600 80.6085 96.9458 -110.419 35.3804 160.428 21.5781 -76.0422 -134.442 5.74919 PRESSAVG: 2735600 -25.6185 29.9068 -6.76534 29.9069 3.99539 52.8012 -6.76532 52.8012 -3.14619 GPRESSAVG: 2735600 -26.344 30.8583 -3.63218 28.8192 4.49371 53.224 -6.77092 51.1516 -3.04099 TIMING: 2735600 CPU: 7927.56, 0.00289104/step Wall: 7927.56, 0.00289104/step, 1.81846 hours remaining, 208.175781 MB of memory in use. ENERGY: 2735600 725.0049 2108.3808 1955.6222 112.3375 -206129.0652 17803.3901 0.0000 0.0000 34189.6339 -149234.6956 298.5866 -183424.3296 -149143.2793 299.2116 51.6353 82.2620 556852.0333 -8.2564 -8.2971 PRESSURE: 2735800 125.542 16.8664 115.093 16.866 -297.859 -66.7704 115.092 -66.7703 -211.051 GPRESSURE: 2735800 97.9651 75.8454 124.088 18.8995 -188.109 -12.6519 141.481 -1.45076 -202.118 PRESSAVG: 2735800 37.2411 2.1447 19.9951 2.14467 2.72614 10.4479 19.9951 10.4478 -39.1739 GPRESSAVG: 2735800 37.5877 4.23049 18.8081 0.573296 3.65171 8.69857 21.0535 13.2073 -40.0193 TIMING: 2735800 CPU: 7928.14, 0.00289784/step Wall: 7928.14, 0.00289784/step, 1.82258 hours remaining, 208.175781 MB of memory in use. ENERGY: 2735800 720.6424 2114.9985 1959.2555 119.5063 -205950.8041 17610.0495 0.0000 0.0000 34343.4480 -149082.9038 299.9299 -183426.3518 -148977.2937 300.1122 -127.7893 -97.4206 559129.6407 0.2644 0.4067 PRESSURE: 2736000 37.8784 99.3282 44.4961 99.3281 147.538 72.2278 44.4948 72.2288 28.5367 GPRESSURE: 2736000 107.999 101.903 44.1329 43.6314 140.53 38.0515 9.77319 94.1688 54.7193 PRESSAVG: 2736000 36.4407 -1.01717 -13.8169 -1.01724 -2.06658 -9.90696 -13.8169 -9.90694 -46.0828 GPRESSAVG: 2736000 37.1813 -5.00675 -14.9657 0.656008 -3.32273 -8.81933 -13.1552 -11.8292 -45.4646 TIMING: 2736000 CPU: 7928.72, 0.00291614/step Wall: 7928.72, 0.00291614/step, 1.83393 hours remaining, 208.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2736000 737.2476 2063.0338 1940.3528 109.5591 -206400.8316 18151.6837 0.0000 0.0000 34386.3835 -149012.5711 300.3048 -183398.9546 -148918.4262 298.9225 71.3177 101.0827 558839.9120 -3.9029 -3.8687 PRESSURE: 2736200 105.387 -83.5412 -49.9756 -83.5404 83.9551 18.3674 -49.977 18.3678 264.08 GPRESSURE: 2736200 172.338 -7.28448 -130.603 -56.4997 94.7708 15.4441 10.0627 1.99599 282.26 PRESSAVG: 2736200 -12.0487 13.6539 -15.7378 13.6539 -12.8985 -16.2481 -15.7378 -16.2482 21.0324 GPRESSAVG: 2736200 -12.6543 15.7 -14.3666 15.3929 -13.0167 -18.0126 -18.0335 -14.3742 21.6295 TIMING: 2736200 CPU: 7929.3, 0.00290938/step Wall: 7929.3, 0.00290938/step, 1.82952 hours remaining, 208.187500 MB of memory in use. ENERGY: 2736200 720.0110 2128.9046 1918.9341 101.9754 -206246.8506 18123.0220 0.0000 0.0000 34183.4344 -149070.5690 298.5324 -183254.0034 -148978.3903 299.3589 151.1407 183.1230 559610.8085 -1.3049 -1.3471 LDB: ============= START OF LOAD BALANCING ============== 7932.69 LDB: ============== END OF LOAD BALANCING =============== 7932.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7932.69 LDB: ============= START OF LOAD BALANCING ============== 7932.98 LDB: Largest compute 4800 load 0.026057 is 22.1% of average load 0.117811 LDB: Average compute 0.001749 is 1.5% of average load 0.117811 LDB: TIME 7932.98 LOAD: AVG 0.117811 MAX 0.180551 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.469 MB LDB: TIME 7932.98 LOAD: AVG 0.117811 MAX 0.180551 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.539 MB LDB: TIME 7932.98 LOAD: AVG 0.117811 MAX 0.180551 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.539 MB LDB: ============== END OF LOAD BALANCING =============== 7932.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7932.99 PRESSURE: 2736400 -171.298 43.0176 42.1391 43.0186 5.2717 20.6813 42.1402 20.6813 -168.155 GPRESSURE: 2736400 -133.382 2.1904 -57.6619 120.895 18.5085 17.9762 58.2068 70.976 -117.809 PRESSAVG: 2736400 3.85938 -8.25195 -25.4727 -8.25192 56.2854 -7.174 -25.4726 -7.17405 -49.4148 GPRESSAVG: 2736400 4.56648 -9.732 -27.1283 -9.757 55.8974 -5.69526 -22.3011 -7.12588 -49.7542 TIMING: 2736400 CPU: 7929.89, 0.00296489/step Wall: 7929.89, 0.00296488/step, 1.86425 hours remaining, 208.800781 MB of memory in use. ENERGY: 2736400 766.0440 2050.6547 1939.0797 117.9225 -206210.3290 18010.5485 0.0000 0.0000 34342.7269 -148983.3527 299.9236 -183326.0796 -148880.0238 299.1668 -111.3937 -77.5609 559898.8902 3.5767 3.5699 PRESSURE: 2736600 -186.845 -8.79751 -72.7658 -8.79733 -155.518 202.882 -72.7658 202.882 -149.322 GPRESSURE: 2736600 -126.69 -134.408 -59.5943 38.3651 -81.0978 245.363 -109.285 155.772 -188.668 PRESSAVG: 2736600 -6.93969 21.7832 -7.64432 21.7833 -2.74163 31.1928 -7.64433 31.1929 18.6085 GPRESSAVG: 2736600 -6.65824 21.991 -7.59537 23.4616 -1.8681 29.8645 -8.9634 30.2785 17.9695 TIMING: 2736600 CPU: 7930.48, 0.00292289/step Wall: 7930.48, 0.00292289/step, 1.83769 hours remaining, 209.003906 MB of memory in use. ENERGY: 2736600 752.1609 2030.8175 1939.2759 93.7418 -205686.4852 17607.1216 0.0000 0.0000 34471.4896 -148791.8778 301.0481 -183263.3674 -148683.6360 300.5316 -163.8951 -132.1520 559789.9084 2.9757 3.1477 PRESSURE: 2736800 -184.381 135.936 25.1333 135.937 -387.429 83.9935 25.1336 83.9933 -179.233 GPRESSURE: 2736800 -194.529 118.634 -60.5746 202.725 -345.477 99.1157 13.7458 115.736 -122.613 PRESSAVG: 2736800 4.72448 -21.918 -31.7087 -21.9179 41.4143 46.5599 -31.7087 46.5598 -4.90869 GPRESSAVG: 2736800 3.08784 -20.4002 -32.3385 -23.7327 42.9659 47.6876 -32.8391 47.276 -4.98822 TIMING: 2736800 CPU: 7931.06, 0.00292299/step Wall: 7931.06, 0.00292299/step, 1.83759 hours remaining, 209.003906 MB of memory in use. ENERGY: 2736800 779.9466 2115.0636 1949.9021 92.4674 -205485.4136 17525.1043 0.0000 0.0000 34327.7075 -148695.2220 299.7924 -183022.9295 -148603.4194 301.2495 -250.3476 -220.8731 558931.2057 13.7434 13.6885 PRESSURE: 2737000 -180.676 118.353 139.67 118.354 64.94 68.2548 139.671 68.2539 134.676 GPRESSURE: 2737000 -104.253 177.129 78.2535 118.834 121.57 91.9396 214.255 82.5675 101.571 PRESSAVG: 2737000 -6.91984 13.18 15.42 13.1799 -10.5858 67.398 15.4199 67.398 23.7128 GPRESSAVG: 2737000 -6.22888 12.1239 17.8643 14.1735 -12.071 67.4214 15.7757 66.1118 24.3237 TIMING: 2737000 CPU: 7931.64, 0.00290112/step Wall: 7931.64, 0.00290112/step, 1.82368 hours remaining, 209.003906 MB of memory in use. ENERGY: 2737000 702.6078 2157.6975 1891.2397 101.5196 -205800.3929 17568.9367 0.0000 0.0000 34641.3971 -148736.9945 302.5319 -183378.3916 -148642.8192 300.3792 6.3133 39.6293 557736.1759 2.0690 2.0080 PRESSURE: 2737200 173.709 29.4612 19.0506 29.461 -64.8263 40.2253 19.0498 40.2258 -69.0551 GPRESSURE: 2737200 167.322 -9.8391 48.2047 141.161 13.7446 5.89063 49.5361 -37.6072 -43.6289 PRESSAVG: 2737200 -21.5942 -9.60318 -13.4595 -9.60313 -34.3333 -21.9462 -13.4595 -21.9463 56.2407 GPRESSAVG: 2737200 -21.3637 -8.3218 -12.8207 -10.3219 -33.9951 -20.5905 -14.7278 -20.8214 56.1009 TIMING: 2737200 CPU: 7932.22, 0.00288219/step Wall: 7932.22, 0.00288219/step, 1.81162 hours remaining, 209.003906 MB of memory in use. ENERGY: 2737200 735.0811 2131.2208 1939.3324 101.5628 -205915.4696 17953.8377 0.0000 0.0000 34227.8727 -148826.5621 298.9205 -183054.4348 -148728.6191 300.7832 13.2759 45.8126 561058.3284 0.1044 0.2474 PRESSURE: 2737400 -126.524 130.096 40.5137 130.095 -74.4408 7.05764 40.515 7.05811 -8.09281 GPRESSURE: 2737400 -79.0326 103.841 76.8078 148.098 -65.0105 35.3526 95.6121 36.4535 29.7952 PRESSAVG: 2737400 13.063 -5.51844 -22.1983 -5.51849 -5.50149 34.1668 -22.1984 34.1667 32.0731 GPRESSAVG: 2737400 12.0256 -6.35436 -24.9308 -5.87789 -6.23843 35.048 -20.2515 33.3523 33.6521 TIMING: 2737400 CPU: 7932.8, 0.00290553/step Wall: 7932.8, 0.00290553/step, 1.82613 hours remaining, 209.003906 MB of memory in use. ENERGY: 2737400 750.2184 2065.5679 1958.6776 106.1916 -206221.1764 17864.0519 0.0000 0.0000 34576.5022 -148899.9668 301.9652 -183476.4691 -148796.7701 300.1538 -69.6858 -38.0826 559074.9093 13.2115 13.1464 PRESSURE: 2737600 -176.32 -54.5097 -0.637496 -54.5101 -79.4697 -51.3457 -0.637477 -51.3458 -339.489 GPRESSURE: 2737600 -158.799 -115.167 -55.4636 60.1169 -66.54 -47.3471 -36.0362 -79.2947 -260.5 PRESSAVG: 2737600 22.7599 -22.4754 31.6197 -22.4755 60.1975 0.062514 31.6197 0.0624701 -49.5703 GPRESSAVG: 2737600 24.9291 -22.1561 31.1694 -22.3994 59.893 0.16787 32.6602 0.133616 -51.2102 TIMING: 2737600 CPU: 7933.38, 0.00288866/step Wall: 7933.38, 0.00288866/step, 1.81536 hours remaining, 209.003906 MB of memory in use. ENERGY: 2737600 799.2322 2168.0825 1959.3184 101.7796 -205867.0303 17541.0916 0.0000 0.0000 34484.0020 -148813.5241 301.1574 -183297.5260 -148713.7408 300.3356 -198.4264 -161.9466 559100.8576 11.1290 11.2040 PRESSURE: 2737800 94.5147 94.7404 243.354 94.7415 -140.435 -150.96 243.353 -150.96 -25.9569 GPRESSURE: 2737800 164.861 54.8958 186.696 114.319 -107.916 -111.609 190.137 -173.533 -32.917 PRESSAVG: 2737800 18.4094 2.96181 96.6628 2.96186 -21.7236 29.0646 96.6628 29.0645 18.582 GPRESSAVG: 2737800 17.3865 3.97891 97.4844 1.93446 -20.6688 25.0512 94.4537 30.2748 18.2495 TIMING: 2737800 CPU: 7933.95, 0.00286428/step Wall: 7933.95, 0.00286428/step, 1.79988 hours remaining, 209.003906 MB of memory in use. ENERGY: 2737800 740.8675 2118.8825 1963.0880 108.9780 -206119.7391 17892.7961 0.0000 0.0000 34301.9958 -148993.1311 299.5679 -183295.1269 -148889.2400 300.0559 -23.9591 8.0094 558131.6798 5.0893 4.9891 PRESSURE: 2738000 -175.048 132.557 137.797 132.557 -177.447 188.091 137.798 188.091 -310.302 GPRESSURE: 2738000 -189.925 138.115 71.3878 130.807 -154.734 106.645 198.149 253.102 -224.837 PRESSAVG: 2738000 -3.46468 46.8261 64.4958 46.8261 4.35633 9.20675 64.4958 9.20685 -13.8504 GPRESSAVG: 2738000 -2.52016 45.3733 63.819 47.5272 3.54903 11.5563 65.6148 7.19828 -13.7661 TIMING: 2738000 CPU: 7934.53, 0.00290533/step Wall: 7934.53, 0.00290533/step, 1.82552 hours remaining, 209.003906 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: 2738000 740.0871 2119.1445 1955.4008 100.9677 -205359.1554 17243.0716 0.0000 0.0000 34327.0273 -148873.4563 299.7865 -183200.4836 -148777.2232 300.0346 -220.9321 -189.8320 557656.6031 -4.3196 -4.2457 PRESSURE: 2738200 56.015 -16.5987 -25.539 -16.5994 21.6206 17.6217 -25.5389 17.6213 -36.8649 GPRESSURE: 2738200 24.9217 70.1333 -41.1084 -124.09 98.1007 -30.5983 -59.1671 25.9496 18.9472 PRESSAVG: 2738200 8.49783 39.4365 -30.8484 39.4364 -5.40987 30.7031 -30.8484 30.7033 11.6069 GPRESSAVG: 2738200 7.45047 40.6031 -28.9041 41.0313 -5.33114 31.8416 -31.7196 29.9761 12.5324 TIMING: 2738200 CPU: 7935.12, 0.00292668/step Wall: 7935.12, 0.00292668/step, 1.83877 hours remaining, 209.003906 MB of memory in use. ENERGY: 2738200 731.7077 2115.8314 1970.6171 110.4934 -205935.4230 17891.8006 0.0000 0.0000 34329.9912 -148784.9815 299.8124 -183114.9728 -148694.9310 299.9990 13.5902 47.3232 558993.1583 4.8983 4.8839 PRESSURE: 2738400 -117.755 9.76636 -25.5752 9.7664 -132.843 -44.3352 -25.5741 -44.3366 -53.9379 GPRESSURE: 2738400 -94.3084 -22.8741 -62.3557 38.0786 -103.652 -35.5801 -43.7891 -40.0931 -7.77627 PRESSAVG: 2738400 -36.5004 61.9046 -32.7209 61.9047 37.4062 25.3499 -32.7209 25.35 48.0489 GPRESSAVG: 2738400 -35.8578 59.4666 -32.9702 62.9909 38.0939 23.9831 -32.7673 27.7546 47.2603 TIMING: 2738400 CPU: 7935.7, 0.00290855/step Wall: 7935.7, 0.00290855/step, 1.82722 hours remaining, 209.003906 MB of memory in use. ENERGY: 2738400 761.6683 2112.2703 1976.2869 110.5798 -205682.8523 17779.9690 0.0000 0.0000 34199.3852 -148742.6927 298.6717 -182942.0779 -148649.4233 301.0613 -101.5120 -68.5789 560512.8059 16.3182 16.4988 PRESSURE: 2738600 -188.343 20.0994 81.6834 20.1003 -237.263 96.0197 81.683 96.0188 -151.961 GPRESSURE: 2738600 -142.162 126.615 35.2929 -24.5679 -245.038 34.5165 88.7279 226.185 -92.9769 PRESSAVG: 2738600 -16.5656 41.1777 17.5859 41.1777 -31.5333 3.8721 17.5861 3.87212 46.5317 GPRESSAVG: 2738600 -16.757 43.7747 17.9763 40.7302 -30.7461 3.19141 15.5593 4.10047 46.188 TIMING: 2738600 CPU: 7936.28, 0.00290536/step Wall: 7936.28, 0.00290536/step, 1.82505 hours remaining, 209.003906 MB of memory in use. ENERGY: 2738600 739.9012 2065.9963 1945.7910 112.5448 -205643.5619 17560.0661 0.0000 0.0000 34527.4221 -148691.8404 301.5366 -183219.2625 -148592.5463 300.4973 -192.5224 -160.0592 559368.6106 -0.5224 -0.4383 PRESSURE: 2738800 -125.518 -43.8305 -24.8538 -43.831 -45.2856 57.2654 -24.8542 57.2671 -255.07 GPRESSURE: 2738800 -103.524 -83.0935 44.0696 -72.5256 -13.7051 29.3514 -50.0866 52.1711 -221.098 PRESSAVG: 2738800 43.3456 5.05185 11.255 5.05187 -15.3108 2.29446 11.255 2.29452 -9.9764 GPRESSAVG: 2738800 43.0096 3.59979 10.4352 3.83982 -15.1497 4.37522 13.2156 1.39024 -10.1101 TIMING: 2738800 CPU: 7936.86, 0.00290798/step Wall: 7936.86, 0.00290798/step, 1.82653 hours remaining, 209.003906 MB of memory in use. ENERGY: 2738800 740.0365 2095.9018 1956.3238 123.2061 -205573.1653 17601.0774 0.0000 0.0000 34408.8405 -148647.7792 300.5010 -183056.6197 -148549.2567 300.6752 -141.9577 -112.7760 559629.4205 6.0194 5.9166 PRESSURE: 2739000 131.905 114.993 53.9966 114.992 -11.9722 -13.0052 53.9969 -13.0052 68.3503 GPRESSURE: 2739000 169.726 108.039 -7.03224 191.148 12.8704 -20.224 158.477 29.1172 105.921 PRESSAVG: 2739000 33.5054 -2.63429 -12.5022 -2.63439 50.8202 -51.6076 -12.5023 -51.6077 -95.8837 GPRESSAVG: 2739000 34.1496 -3.26604 -11.4032 -1.61913 50.144 -51.2603 -11.8434 -50.9779 -95.7133 TIMING: 2739000 CPU: 7937.45, 0.00292724/step Wall: 7937.45, 0.00292724/step, 1.83847 hours remaining, 209.003906 MB of memory in use. ENERGY: 2739000 730.9074 2093.8428 1960.2618 114.1482 -205826.4447 17876.3585 0.0000 0.0000 34453.7370 -148597.1889 300.8931 -183050.9259 -148501.8395 301.2116 62.7609 96.1722 559040.4584 -3.8527 -3.8066 PRESSURE: 2739200 -264.497 176.804 -80.3404 176.803 81.5847 -43.478 -80.3409 -43.4782 -24.3655 GPRESSURE: 2739200 -248.515 187.642 -106 202.691 111.632 -35.9522 41.7526 -43.302 41.098 PRESSAVG: 2739200 -28.2858 -3.04051 -30.5676 -3.04042 48.8116 -23.5309 -30.5676 -23.5309 -32.1102 GPRESSAVG: 2739200 -29.7078 -0.829831 -32.6388 -4.85652 48.9493 -25.1291 -29.521 -21.7296 -30.7904 TIMING: 2739200 CPU: 7938.03, 0.00290877/step Wall: 7938.03, 0.00290877/step, 1.8267 hours remaining, 209.003906 MB of memory in use. ENERGY: 2739200 747.0383 2113.8247 1925.7411 101.4808 -205770.7792 17689.7046 0.0000 0.0000 34369.6254 -148823.3643 300.1585 -183192.9897 -148724.5789 300.2180 -69.0928 -31.9283 559127.1703 -3.8615 -3.8497 PRESSURE: 2739400 -56.1819 158.792 -108.861 158.793 -133.524 81.728 -108.862 81.7262 10.3861 GPRESSURE: 2739400 -54.3003 119.196 -105.923 77.8404 -92.5276 27.995 -121.598 118.568 50.1561 PRESSAVG: 2739400 14.283 -45.9524 6.13543 -45.9523 -3.34005 36.4752 6.13543 36.4751 -56.0919 GPRESSAVG: 2739400 14.9857 -46.4172 7.67742 -44.6828 -3.34609 37.0402 4.27255 33.9377 -56.3609 TIMING: 2739400 CPU: 7938.61, 0.00290552/step Wall: 7938.61, 0.00290552/step, 1.8245 hours remaining, 209.003906 MB of memory in use. ENERGY: 2739400 732.2755 2063.6882 1950.1044 121.0926 -205718.9775 17652.1560 0.0000 0.0000 34384.7914 -148814.8694 300.2909 -183199.6608 -148716.0221 300.0095 -59.7732 -32.2239 558038.6042 -15.0496 -14.9071 PRESSURE: 2739600 48.7606 14.3424 88.5691 14.3441 51.4429 110.591 88.5687 110.59 -138.954 GPRESSURE: 2739600 107.073 43.1927 133.983 25.0778 44.7291 123.581 11.7761 107.195 -100.601 PRESSAVG: 2739600 -22.1891 24.463 -29.9373 24.463 17.4085 28.9012 -29.9373 28.9012 7.52248 GPRESSAVG: 2739600 -22.1624 24.2701 -31.775 22.3182 17.6316 28.5077 -28.1123 29.32 7.05386 TIMING: 2739600 CPU: 7939.19, 0.00289758/step Wall: 7939.19, 0.00289758/step, 1.81936 hours remaining, 209.003906 MB of memory in use. ENERGY: 2739600 705.6935 2137.5296 1917.9887 124.6018 -206067.9694 17681.8247 0.0000 0.0000 34485.2434 -149015.0877 301.1682 -183500.3311 -148920.1274 300.3575 -12.9170 17.0672 558434.1117 0.9140 0.8410 PRESSURE: 2739800 36.4696 51.1226 225.307 51.1231 68.6713 210.981 225.307 210.983 108.53 GPRESSURE: 2739800 123.861 2.85498 244.397 73.0973 68.7803 91.9365 253.634 204.075 119.29 PRESSAVG: 2739800 -4.43086 3.45647 14.2171 3.45649 13.0516 18.1759 14.2171 18.1761 -37.9141 GPRESSAVG: 2739800 -5.12852 0.725504 15.4178 8.02327 14.0486 17.1693 12.4648 17.8324 -38.0443 TIMING: 2739800 CPU: 7939.77, 0.00289901/step Wall: 7939.77, 0.00289901/step, 1.8201 hours remaining, 209.003906 MB of memory in use. ENERGY: 2739800 725.2062 2055.0915 1961.1749 120.8061 -205816.0040 17897.1318 0.0000 0.0000 34223.4738 -148833.1196 298.8821 -183056.5934 -148738.1644 299.7821 71.2237 103.9772 559030.8348 -9.7645 -9.7081 PRESSURE: 2740000 -170.017 -62.218 141.864 -62.2169 -42.6549 98.1777 141.865 98.1784 58.2418 GPRESSURE: 2740000 -125.325 -70.6527 129.452 -15.6015 21.1932 68.0035 140.558 90.3335 53.1453 PRESSAVG: 2740000 35.6963 24.3018 3.96037 24.3019 -1.38969 7.85715 3.96031 7.85716 3.79217 GPRESSAVG: 2740000 35.1367 26.8925 5.15123 21.0919 -1.30282 7.96979 2.76762 8.05512 4.13895 TIMING: 2740000 CPU: 7940.35, 0.0029063/step Wall: 7940.35, 0.0029063/step, 1.82451 hours remaining, 209.003906 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: 2740000 744.2388 2155.6492 1928.5051 124.8833 -205796.0712 17832.3469 0.0000 0.0000 34355.8944 -148654.5535 300.0386 -183010.4479 -148550.7472 300.9281 -51.4767 -16.9956 560426.8878 12.6996 12.6576 PRESSURE: 2740200 -114.361 111.163 -10.1187 111.162 186.264 -211.852 -10.1196 -211.853 3.92163 GPRESSURE: 2740200 -64.1555 151.928 0.87352 20.5872 231.797 -196.451 22.9376 -71.5564 4.52945 PRESSAVG: 2740200 4.04404 -8.02285 21.2922 -8.02287 20.9406 -15.2833 21.2922 -15.2832 -28.8137 GPRESSAVG: 2740200 4.93384 -6.46294 21.2777 -7.45446 19.9639 -16.9259 23.0337 -12.9626 -29.1277 TIMING: 2740200 CPU: 7940.94, 0.00292653/step Wall: 7940.94, 0.00292653/step, 1.83705 hours remaining, 209.003906 MB of memory in use. ENERGY: 2740200 757.3747 2097.4436 1946.7281 114.4957 -206197.9846 17989.1011 0.0000 0.0000 34632.9707 -148659.8707 302.4583 -183292.8414 -148559.4360 300.7540 25.2751 57.3902 559746.2648 -1.2764 -1.4100 LDB: ============= START OF LOAD BALANCING ============== 7944.32 LDB: ============== END OF LOAD BALANCING =============== 7944.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7944.32 LDB: ============= START OF LOAD BALANCING ============== 7944.61 LDB: Largest compute 4800 load 0.027003 is 22.9% of average load 0.117883 LDB: Average compute 0.001751 is 1.5% of average load 0.117883 LDB: TIME 7944.62 LOAD: AVG 0.117883 MAX 0.179486 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.504 MB LDB: TIME 7944.62 LOAD: AVG 0.117883 MAX 0.179486 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.562 MB LDB: TIME 7944.62 LOAD: AVG 0.117883 MAX 0.179486 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7944.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7944.62 PRESSURE: 2740400 -152.726 246.214 -71.7673 246.214 164.785 21.9914 -71.7659 21.9918 388.441 GPRESSURE: 2740400 -59.2155 256.53 -65.3544 141.682 176.651 38.8181 -101.823 -77.5321 377.801 PRESSAVG: 2740400 -59.4958 105.994 -4.3953 105.994 38.464 -34.5817 -4.39531 -34.5817 -64.627 GPRESSAVG: 2740400 -59.4069 105.443 -4.37509 104.944 37.8354 -33.8008 -6.52641 -35.6646 -63.742 TIMING: 2740400 CPU: 7941.53, 0.00295283/step Wall: 7941.53, 0.00295283/step, 1.8534 hours remaining, 208.031250 MB of memory in use. ENERGY: 2740400 722.2853 2130.0080 1967.3406 110.3438 -205980.5511 17902.8696 0.0000 0.0000 34448.8878 -148698.8160 300.8507 -183147.7038 -148598.0275 300.5528 133.4998 165.0789 558499.3182 -28.5529 -28.4378 PRESSURE: 2740600 -145.352 -4.09894 128.443 -4.09947 -246.808 -41.0321 128.442 -41.0316 -308.805 GPRESSURE: 2740600 -168.368 15.0565 172.926 -46.0445 -182.91 -46.7037 198.074 -42.2332 -248.919 PRESSAVG: 2740600 53.0568 -35.5859 -28.7149 -35.5858 32.2085 17.9193 -28.7149 17.9193 -50.434 GPRESSAVG: 2740600 52.584 -35.6691 -30.162 -34.4498 32.5104 17.7116 -25.1976 19.8363 -50.1104 TIMING: 2740600 CPU: 7942.11, 0.00289181/step Wall: 7942.11, 0.00289181/step, 1.81493 hours remaining, 208.289062 MB of memory in use. ENERGY: 2740600 766.9648 2072.5286 1948.8682 110.9411 -205658.5324 17582.4151 0.0000 0.0000 34596.5168 -148580.2978 302.1400 -183176.8146 -148477.2937 300.4854 -233.6548 -200.0658 559705.6849 11.6104 11.6613 PRESSURE: 2740800 -19.5366 26.8078 -88.1803 26.8076 -10.009 240.388 -88.1814 240.387 -184.974 GPRESSURE: 2740800 17.521 64.3157 -13.3529 -28.2941 -16.8855 204.175 -125.176 266.536 -115.343 PRESSAVG: 2740800 8.05383 34.7467 45.8196 34.7467 -22.6245 9.36016 45.8196 9.36022 20.349 GPRESSAVG: 2740800 8.71404 35.5155 46.7651 34.3156 -22.9601 10.3187 45.9416 8.99197 19.3283 TIMING: 2740800 CPU: 7942.69, 0.00290987/step Wall: 7942.69, 0.00290987/step, 1.8261 hours remaining, 208.289062 MB of memory in use. ENERGY: 2740800 718.0804 2082.2040 1964.8928 112.4219 -205746.8241 17666.8836 0.0000 0.0000 34418.5233 -148783.8182 300.5855 -183202.3414 -148693.3420 300.3124 -71.5064 -38.2358 557717.7871 1.9261 1.6941 PRESSURE: 2741000 -222.13 -53.4359 103.234 -53.4353 -27.0212 131.424 103.235 131.424 -42.2792 GPRESSURE: 2741000 -168.511 -75.9247 151.877 -48.3545 -58.2956 154.954 135.735 88.1615 47.219 PRESSAVG: 2741000 28.5373 32.6337 -15.3696 32.6337 -36.2488 31.0305 -15.3696 31.0307 21.4011 GPRESSAVG: 2741000 27.8985 30.3947 -15.2962 33.8214 -35.1584 31.4562 -16.78 29.3902 20.698 TIMING: 2741000 CPU: 7943.27, 0.00290651/step Wall: 7943.27, 0.00290651/step, 1.82383 hours remaining, 208.289062 MB of memory in use. ENERGY: 2741000 755.5538 2103.8708 1981.7658 114.2451 -205815.2524 17595.2928 0.0000 0.0000 34636.0652 -148628.4589 302.4854 -183264.5241 -148522.4919 300.6579 -97.1435 -59.8626 559457.1425 4.5632 4.4794 PRESSURE: 2741200 -102.478 -108.938 45.4149 -108.937 -157.49 -174.912 45.4152 -174.912 28.4164 GPRESSURE: 2741200 -1.48563 -99.051 -37.4554 -98.8736 -156.386 -278.15 118.541 -201.363 18.3558 PRESSAVG: 2741200 42.9687 -35.3007 -21.4162 -35.3008 -69.6396 26.8845 -21.416 26.8845 32.8428 GPRESSAVG: 2741200 43.0501 -31.091 -22.3035 -39.4381 -69.7698 25.6803 -20.3664 26.6618 33.6396 TIMING: 2741200 CPU: 7943.85, 0.00290224/step Wall: 7943.85, 0.00290224/step, 1.821 hours remaining, 208.289062 MB of memory in use. ENERGY: 2741200 750.8872 2135.9125 1980.4230 109.8790 -205532.4953 17666.3926 0.0000 0.0000 34474.1416 -148414.8595 301.0713 -182889.0011 -148316.0817 301.0437 -77.1837 -46.5052 558754.9539 2.0573 2.3066 PRESSURE: 2741400 -0.410436 -1.90017 66.2277 -1.90119 -236.126 153.327 66.2266 153.328 83.3965 GPRESSURE: 2741400 56.2554 -69.9407 43.5531 9.85427 -190.538 123.102 -63.748 196.432 68.4069 PRESSAVG: 2741400 70.8869 -7.89485 -37.0535 -7.89491 -101.303 -4.26243 -37.0535 -4.26238 27.5239 GPRESSAVG: 2741400 71.0703 -9.06694 -36.4888 -6.1304 -101.132 -3.37909 -38.5989 -4.57209 27.136 TIMING: 2741400 CPU: 7944.43, 0.00291145/step Wall: 7944.43, 0.00291145/step, 1.82661 hours remaining, 208.289062 MB of memory in use. ENERGY: 2741400 736.7315 2150.0555 1961.7213 121.3414 -205399.1386 17460.5587 0.0000 0.0000 34551.1828 -148417.5473 301.7441 -182968.7302 -148325.2482 301.2663 -51.0466 -21.9586 558365.2564 -0.9640 -0.9751 PRESSURE: 2741600 282.853 97.3241 -8.48753 97.323 143.473 -222.762 -8.48767 -222.761 240.78 GPRESSURE: 2741600 295.414 86.9725 -61.5569 89.6987 151.599 -260.863 2.6239 -117.627 312.866 PRESSAVG: 2741600 -21.7201 20.4825 0.578724 20.4825 -16.3835 39.7217 0.578739 39.7217 39.4432 GPRESSAVG: 2741600 -21.8796 17.9378 1.2935 22.6004 -17.0399 39.9703 -0.456997 39.9214 39.7247 TIMING: 2741600 CPU: 7945.01, 0.00290165/step Wall: 7945.01, 0.00290165/step, 1.8203 hours remaining, 208.289062 MB of memory in use. ENERGY: 2741600 726.2909 2110.5642 1938.5540 105.9932 -205931.4478 17997.1748 0.0000 0.0000 34390.6087 -148662.2618 300.3417 -183052.8705 -148567.4023 301.0036 222.3685 253.2928 557931.9435 0.4465 0.2684 PRESSURE: 2741800 -227.618 -109.742 4.45435 -109.742 -73.5845 136.44 4.45417 136.441 94.0997 GPRESSURE: 2741800 -189.974 -137.884 -137.968 -100.701 -79.8485 98.0496 2.0485 115.061 162.667 PRESSAVG: 2741800 -45.7907 -34.559 -2.95303 -34.559 -24.5864 25.8881 -2.95312 25.8881 58.7397 GPRESSAVG: 2741800 -45.4465 -35.5661 -3.7323 -35.316 -24.8849 25.1832 -2.61671 25.7551 58.595 TIMING: 2741800 CPU: 7945.59, 0.00288286/step Wall: 7945.59, 0.00288286/step, 1.80835 hours remaining, 208.289062 MB of memory in use. ENERGY: 2741800 764.3212 2093.9164 1970.0168 114.7559 -205956.4741 17819.4497 0.0000 0.0000 34558.8073 -148635.2067 301.8107 -183194.0140 -148532.4423 300.6565 -69.0342 -35.7185 559462.7802 -3.8791 -3.9121 PRESSURE: 2742000 123.129 6.03929 -119.466 6.04013 69.7271 -98.984 -119.466 -98.9861 -237.043 GPRESSURE: 2742000 161.715 -32.7828 -99.5212 -40.9392 90.9047 -117.845 -142.625 -5.79329 -197.649 PRESSAVG: 2742000 38.4479 -23.4786 -58.4772 -23.4785 -99.4507 53.0294 -58.4773 53.0294 47.0836 GPRESSAVG: 2742000 38.2063 -25.3185 -57.5641 -23.1277 -100.557 53.8002 -58.7154 54.0121 47.6719 TIMING: 2742000 CPU: 7946.17, 0.00291005/step Wall: 7946.17, 0.00291005/step, 1.82525 hours remaining, 208.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2742000 749.2786 2084.2009 1944.9882 113.9220 -205911.9969 17688.6068 0.0000 0.0000 34604.6453 -148726.3552 302.2110 -183331.0005 -148621.8305 301.0232 -14.7287 18.3235 557470.7754 -4.6397 -4.8929 PRESSURE: 2742200 -190.464 51.0641 -130.782 51.0649 159.692 150.146 -130.782 150.147 30.01 GPRESSURE: 2742200 -140.262 162.542 -159.704 25.8435 199.963 140.615 -88.585 219.022 24.5454 PRESSAVG: 2742200 77.8463 54.2556 -106.436 54.2556 -44.416 -10.0656 -106.435 -10.0655 -3.70291 GPRESSAVG: 2742200 77.8208 56.7286 -104.623 53.9364 -42.6439 -11.337 -107.831 -9.57595 -5.43477 TIMING: 2742200 CPU: 7946.75, 0.0028964/step Wall: 7946.75, 0.0028964/step, 1.81653 hours remaining, 208.289062 MB of memory in use. ENERGY: 2742200 747.7843 2166.4907 1960.4559 126.1630 -205706.3750 17687.4199 0.0000 0.0000 34193.7398 -148824.3213 298.6224 -183018.0611 -148727.1945 300.2928 -0.2541 28.0823 557340.9375 9.9091 9.9140 PRESSURE: 2742400 172.153 -125.045 -31.2985 -125.045 -264.481 8.54917 -31.2986 8.55083 -249.373 GPRESSURE: 2742400 179.022 -111.644 -50.929 -109.345 -232.814 8.16137 -21.9375 102.18 -208.378 PRESSAVG: 2742400 49.8339 -10.1335 -26.3969 -10.1336 1.18472 13.2488 -26.3968 13.2488 -59.0855 GPRESSAVG: 2742400 49.5603 -8.70384 -28.1336 -13.493 1.74413 14.717 -26.1544 11.874 -59.2837 TIMING: 2742400 CPU: 7947.33, 0.00288811/step Wall: 7947.33, 0.00288811/step, 1.81117 hours remaining, 208.289062 MB of memory in use. ENERGY: 2742400 762.5802 2054.2149 1949.0259 106.2298 -205872.9247 17518.7848 0.0000 0.0000 34480.5352 -149001.5538 301.1271 -183482.0890 -148900.3389 299.6713 -113.9002 -87.3903 556033.9133 -2.6890 -2.6598 PRESSURE: 2742600 -29.2475 49.4695 74.1019 49.4699 46.283 84.602 74.1009 84.6041 106.807 GPRESSURE: 2742600 20.6757 141.3 6.78814 30.7991 109.29 122.089 40.903 129.443 91.3992 PRESSAVG: 2742600 92.5491 -45.1826 -40.4167 -45.1826 -31.5103 52.138 -40.4168 52.1379 -22.6466 GPRESSAVG: 2742600 92.6015 -46.5424 -41.5294 -41.8699 -31.9512 51.8573 -38.7282 52.8325 -22.4482 TIMING: 2742600 CPU: 7947.91, 0.00289605/step Wall: 7947.91, 0.00289605/step, 1.81598 hours remaining, 208.289062 MB of memory in use. ENERGY: 2742600 719.4434 2064.9392 1931.7307 107.5364 -206104.4710 17813.7422 0.0000 0.0000 34382.9883 -149084.0909 300.2752 -183467.0792 -148989.4125 300.2461 41.2808 73.7884 556057.2608 12.7974 12.7340 PRESSURE: 2742800 243.478 -56.931 60.4216 -56.9313 211.291 -23.6627 60.4232 -23.6625 152.266 GPRESSURE: 2742800 229.486 -115.388 -57.5543 -32.3069 327.11 4.91166 97.7805 -72.6518 150.539 PRESSAVG: 2742800 -2.80799 -17.0652 -82.213 -17.0653 -21.6335 -19.3164 -82.213 -19.3164 11.0686 GPRESSAVG: 2742800 -1.89234 -16.5869 -80.905 -17.7041 -22.4463 -18.749 -80.876 -20.7308 11.2745 TIMING: 2742800 CPU: 7948.49, 0.00290101/step Wall: 7948.49, 0.00290101/step, 1.81893 hours remaining, 208.289062 MB of memory in use. ENERGY: 2742800 717.7662 2060.2906 1952.6844 120.0761 -206272.2404 18051.0200 0.0000 0.0000 34360.4610 -149009.9422 300.0785 -183370.4032 -148917.1495 300.4237 202.3453 235.7117 557268.8091 -4.4576 -4.3547 PRESSURE: 2743000 2.42834 78.9702 -79.8887 78.9714 -42.7267 -63.7582 -79.8874 -63.7571 -125.1 GPRESSURE: 2743000 25.3408 26.3444 -93.8776 3.46408 -4.54402 -44.7779 -59.4608 -82.3531 -86.5798 PRESSAVG: 2743000 35.6002 39.7251 -3.64083 39.7252 -60.4374 39.5192 -3.64084 39.5192 -2.1375 GPRESSAVG: 2743000 35.0159 38.5333 -3.3108 40.9034 -60.5492 36.939 -5.24436 41.8578 -1.94477 TIMING: 2743000 CPU: 7949.07, 0.00291493/step Wall: 7949.07, 0.00291493/step, 1.8275 hours remaining, 208.289062 MB of memory in use. ENERGY: 2743000 752.7351 2116.5488 1918.6439 113.9819 -206032.6986 17842.4272 0.0000 0.0000 34255.4534 -149032.9083 299.1614 -183288.3617 -148935.4078 299.3462 -55.1327 -21.9277 559026.9713 -8.9916 -9.1593 PRESSURE: 2743200 95.0057 136.45 -65.9397 136.449 -142.323 -189.858 -65.94 -189.858 -236.505 GPRESSURE: 2743200 97.3345 110.706 -82.3646 232.749 -74.6976 -226.965 -77.6238 -178.626 -204.292 PRESSAVG: 2743200 82.4429 48.4456 -20.6593 48.4457 -53.5068 11.9192 -20.6593 11.9192 -48.4343 GPRESSAVG: 2743200 82.825 47.7173 -22.6449 49.2288 -53.1784 11.9702 -20.9278 10.8612 -48.9741 TIMING: 2743200 CPU: 7949.65, 0.00290182/step Wall: 7949.65, 0.00290182/step, 1.81912 hours remaining, 208.289062 MB of memory in use. ENERGY: 2743200 775.7308 2134.3445 1949.0682 123.7872 -206319.1739 17875.6714 0.0000 0.0000 34320.7683 -149139.8036 299.7318 -183460.5718 -149049.9990 300.1466 -94.6075 -60.5516 557443.1225 -6.4994 -6.4425 PRESSURE: 2743400 26.4205 -1.99503 72.9833 -1.99589 281.226 4.07359 72.9832 4.07424 -184.156 GPRESSURE: 2743400 109.473 39.5181 -14.7715 0.366336 265.998 24.6313 80.8748 -29.9581 -163.304 PRESSAVG: 2743400 5.40421 33.2046 60.6604 33.2045 30.9517 16.203 60.6604 16.2029 4.32523 GPRESSAVG: 2743400 4.69935 35.391 61.4578 31.8803 30.6518 17.0771 62.1129 14.1152 4.97065 TIMING: 2743400 CPU: 7950.23, 0.0029088/step Wall: 7950.23, 0.0029088/step, 1.82333 hours remaining, 208.289062 MB of memory in use. ENERGY: 2743400 759.8125 2078.9251 1944.6639 112.2875 -206443.3014 17812.2103 0.0000 0.0000 34564.0519 -149171.3502 301.8565 -183735.4021 -149073.3773 299.6575 41.1635 70.7220 555905.4166 13.5604 13.4406 PRESSURE: 2743600 87.4911 20.185 44.6514 20.1851 -197.29 77.1494 44.6517 77.1491 -477.981 GPRESSURE: 2743600 72.4112 31.3242 13.7354 43.701 -126.911 38.8917 49.592 120.782 -423.877 PRESSAVG: 2743600 81.0967 21.5874 12.4345 21.5873 -5.33916 24.0718 12.4345 24.0717 -119.895 GPRESSAVG: 2743600 82.0571 21.5894 11.4539 20.4018 -5.88469 23.6713 12.5218 26.0673 -120.301 TIMING: 2743600 CPU: 7950.82, 0.00292185/step Wall: 7950.82, 0.00292185/step, 1.83135 hours remaining, 208.289062 MB of memory in use. ENERGY: 2743600 748.2070 2108.7194 1946.8133 112.8666 -205853.5081 17478.7273 0.0000 0.0000 34283.8630 -149174.3115 299.4095 -183458.1745 -149077.5852 298.8544 -195.9266 -159.4588 557229.0641 -14.7126 -14.7095 PRESSURE: 2743800 -140.966 95.7767 135.33 95.7763 -127.804 24.3887 135.33 24.3883 -242.682 GPRESSURE: 2743800 -147.782 54.4888 150.97 19.3088 -70.9138 -29.2888 152.612 86.6151 -191.425 PRESSAVG: 2743800 21.0619 35.2671 -44.6219 35.2671 17.5706 7.7706 -44.6219 7.77052 -39.9912 GPRESSAVG: 2743800 19.2942 35.9358 -44.3826 34.6205 18.8915 9.4568 -45.1883 7.67168 -39.8461 TIMING: 2743800 CPU: 7951.4, 0.00289933/step Wall: 7951.4, 0.00289933/step, 1.81708 hours remaining, 208.289062 MB of memory in use. ENERGY: 2743800 755.0691 2129.1143 1953.7661 117.5903 -206482.4796 17787.1909 0.0000 0.0000 34332.8795 -149406.8694 299.8376 -183739.7489 -149313.8212 299.6540 -170.4839 -136.7069 556506.5972 -0.4529 -0.5535 PRESSURE: 2744000 3.56126 -160.033 -31.551 -160.032 -177.463 27.414 -31.5504 27.4146 -69.2 GPRESSURE: 2744000 16.1732 -96.7703 2.63319 -204.333 -77.2219 82.5667 10.8587 -30.8868 -81.4479 PRESSAVG: 2744000 119.776 -2.52001 -21.9395 -2.52001 13.6384 13.0267 -21.9395 13.0267 -21.5631 GPRESSAVG: 2744000 121.627 -4.07294 -23.2232 -1.32759 12.4026 11.6176 -21.9117 11.8102 -21.4854 TIMING: 2744000 CPU: 7951.98, 0.00290369/step Wall: 7951.98, 0.00290369/step, 1.81965 hours remaining, 208.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2744000 756.5799 2137.7364 1966.1241 114.5418 -206102.4545 17692.2771 0.0000 0.0000 34156.4220 -149278.7734 298.2965 -183435.1954 -149182.3228 299.2521 -81.0341 -47.4989 556531.9471 37.2839 37.5146 PRESSURE: 2744200 -89.664 117.474 26.2338 117.475 23.8268 78.7565 26.2325 78.7576 -25.79 GPRESSURE: 2744200 -70.5081 101.999 23.9741 99.328 92.787 4.24439 65.6063 63.0568 -16.8924 PRESSAVG: 2744200 70.0665 23.6518 -23.315 23.6518 18.2204 -2.67355 -23.315 -2.67359 -71.7519 GPRESSAVG: 2744200 70.0389 24.6723 -20.2515 25.4949 18.3801 -2.68749 -25.9573 -1.15707 -71.3102 TIMING: 2744200 CPU: 7952.56, 0.00291749/step Wall: 7952.56, 0.00291749/step, 1.82813 hours remaining, 208.289062 MB of memory in use. ENERGY: 2744200 744.9477 2150.9605 1927.5151 108.1006 -206160.8784 17717.4678 0.0000 0.0000 34015.5493 -149496.3373 297.0663 -183511.8866 -149396.9413 299.2819 -30.5424 1.7955 556174.7234 5.5116 5.7029 LDB: ============= START OF LOAD BALANCING ============== 7955.95 LDB: ============== END OF LOAD BALANCING =============== 7955.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7955.95 LDB: ============= START OF LOAD BALANCING ============== 7956.24 LDB: Largest compute 4800 load 0.027070 is 23.0% of average load 0.117882 LDB: Average compute 0.001751 is 1.5% of average load 0.117882 LDB: TIME 7956.25 LOAD: AVG 0.117882 MAX 0.178262 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.777 MB LDB: TIME 7956.25 LOAD: AVG 0.117882 MAX 0.178262 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.777 MB LDB: TIME 7956.25 LOAD: AVG 0.117882 MAX 0.178262 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.777 MB LDB: ============== END OF LOAD BALANCING =============== 7956.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7956.25 PRESSURE: 2744400 341.145 131.204 15.7341 131.204 163.905 53.9564 15.7327 53.9574 38.3542 GPRESSURE: 2744400 337.669 95.0188 -64.8345 34.2931 174.748 84.1281 107.856 -69.9209 143.824 PRESSAVG: 2744400 19.8722 40.8692 27.9111 40.8692 26.9633 23.9765 27.9112 23.9765 -55.0082 GPRESSAVG: 2744400 19.7009 37.9599 25.7773 42.5885 26.4671 23.386 31.4491 22.3076 -53.9155 TIMING: 2744400 CPU: 7953.16, 0.00297871/step Wall: 7953.16, 0.00297871/step, 1.86633 hours remaining, 210.542969 MB of memory in use. ENERGY: 2744400 701.6900 2075.9045 1916.9231 109.2848 -206742.7229 17988.8848 0.0000 0.0000 34353.9137 -149596.1220 300.0213 -183950.0357 -149499.6634 298.5659 181.1346 218.7470 555101.0534 -2.7242 -2.5825 PRESSURE: 2744600 -75.2393 -88.6418 70.8127 -88.6411 47.8757 -39.7566 70.8129 -39.756 286.587 GPRESSURE: 2744600 -39.8169 -92.0417 81.8554 -151.901 117.783 -37.434 51.014 7.14871 298.722 PRESSAVG: 2744600 18.9514 40.7817 -41.8957 40.7818 20.026 6.74952 -41.8957 6.74959 -17.933 GPRESSAVG: 2744600 18.3899 41.9346 -41.0046 40.1465 21.4803 5.76584 -43.801 10.0871 -19.0659 TIMING: 2744600 CPU: 7953.74, 0.00292187/step Wall: 7953.74, 0.00292187/step, 1.83055 hours remaining, 210.613281 MB of memory in use. ENERGY: 2744600 730.5587 2112.9485 1955.2296 111.8390 -206822.8177 18061.2336 0.0000 0.0000 34089.2671 -149761.7411 297.7100 -183851.0082 -149664.7182 297.9524 86.4079 125.5628 554956.1816 7.0148 6.9348 PRESSURE: 2744800 -128.048 -78.311 -44.9226 -78.3108 -24.849 27.5484 -44.923 27.5491 -38.5537 GPRESSURE: 2744800 -100.832 43.4036 -43.4923 -182.042 18.3113 50.2492 -168.576 53.1951 -12.7959 PRESSAVG: 2744800 0.455361 -46.5215 -21.4738 -46.5215 10.0947 12.2959 -21.4737 12.2959 4.74667 GPRESSAVG: 2744800 1.30722 -45.3054 -21.3007 -46.7839 9.74108 13.5845 -22.3569 9.56067 4.15491 TIMING: 2744800 CPU: 7954.32, 0.00291399/step Wall: 7954.32, 0.00291399/step, 1.82545 hours remaining, 210.613281 MB of memory in use. ENERGY: 2744800 758.2016 2132.5674 1955.0740 115.4189 -206335.6337 17738.4175 0.0000 0.0000 34075.3034 -149560.6509 297.5881 -183635.9543 -149467.1640 298.6700 -63.8171 -31.7723 557658.3271 5.0989 5.0677 PRESSURE: 2745000 -33.1946 -87.0841 35.1175 -87.0842 -66.0281 138.69 35.1178 138.69 -237.939 GPRESSURE: 2745000 -10.6417 -24.5412 -41.98 -155.337 -9.7904 139.602 36.7224 175.087 -232.938 PRESSAVG: 2745000 -35.3274 -12.9653 -26.5221 -12.9653 24.0424 -3.75699 -26.5221 -3.75694 -23.068 GPRESSAVG: 2745000 -35.0239 -11.3165 -26.8106 -15.2104 23.8887 -2.25995 -26.1201 -4.19748 -23.3693 TIMING: 2745000 CPU: 7954.91, 0.00292749/step Wall: 7954.91, 0.00292749/step, 1.83375 hours remaining, 210.613281 MB of memory in use. ENERGY: 2745000 760.5995 2098.0763 1960.6881 115.5698 -206323.5519 17673.2773 0.0000 0.0000 34192.7514 -149522.5895 298.6138 -183715.3409 -149425.1313 298.4501 -112.3872 -84.4567 557489.0228 -11.4510 -11.5015 PRESSURE: 2745200 -180.304 39.6668 5.2502 39.6669 -195.632 93.9816 5.25047 93.9809 -86.0396 GPRESSURE: 2745200 -152.318 39.9579 47.0752 68.8251 -179.055 136.322 43.7008 77.1674 -51.6668 PRESSAVG: 2745200 -37.956 -8.90496 -13.8678 -8.90498 87.9529 57.9893 -13.8679 57.9893 -17.9327 GPRESSAVG: 2745200 -38.2588 -11.3127 -14.7885 -7.27929 87.8732 56.6632 -11.13 59.7637 -17.2607 TIMING: 2745200 CPU: 7955.49, 0.00292833/step Wall: 7955.49, 0.00292833/step, 1.83411 hours remaining, 210.613281 MB of memory in use. ENERGY: 2745200 774.1510 2103.2237 1941.7959 121.0728 -206379.9851 17900.4142 0.0000 0.0000 34218.2806 -149321.0468 298.8368 -183539.3274 -149221.3064 299.3867 -153.9917 -127.6799 558248.6060 10.6880 10.7846 PRESSURE: 2745400 279.659 -63.5556 10.897 -63.556 -145.78 14.1363 10.8976 14.1358 -206.473 GPRESSURE: 2745400 317.386 -12.664 17.1019 22.8088 -135.706 -24.8094 41.2688 18.7493 -155.158 PRESSAVG: 2745400 -10.9805 102.02 0.582031 102.02 44.7649 60.8597 0.581983 60.8598 -58.3112 GPRESSAVG: 2745400 -10.6245 102.837 2.24293 103.414 44.9705 61.3981 -1.87883 59.6423 -59.0232 TIMING: 2745400 CPU: 7956.07, 0.00289068/step Wall: 7956.07, 0.00289068/step, 1.81037 hours remaining, 210.613281 MB of memory in use. ENERGY: 2745400 780.2912 2125.0502 1917.3235 109.2880 -206244.3777 17843.8971 0.0000 0.0000 34203.9668 -149264.5607 298.7117 -183468.5275 -149169.9650 299.1290 -24.1978 8.8406 557673.5368 -8.1756 -8.2257 PRESSURE: 2745600 -213.821 100.734 -29.431 100.733 -28.4448 38.3937 -29.4311 38.3935 2.80995 GPRESSURE: 2745600 -185.936 60.9286 -125.089 141.818 -34.7196 -14.8528 28.2077 25.7987 72.4941 PRESSAVG: 2745600 54.8986 34.3755 19.4834 34.3754 29.0869 70.8546 19.4834 70.8547 -58.6458 GPRESSAVG: 2745600 54.3051 34.1362 19.1368 33.0681 28.5419 70.1202 20.4552 71.5313 -57.4602 TIMING: 2745600 CPU: 7956.65, 0.00290086/step Wall: 7956.65, 0.00290086/step, 1.81659 hours remaining, 210.613281 MB of memory in use. ENERGY: 2745600 776.3746 2075.7534 1952.2774 105.3778 -206465.8415 17899.2973 0.0000 0.0000 34447.9207 -149208.8402 300.8423 -183656.7610 -149116.1915 299.2660 -79.8188 -49.3871 558642.2678 8.4466 8.4623 PRESSURE: 2745800 37.5078 64.5815 137.713 64.5812 -197.774 68.7523 137.715 68.7522 -51.9311 GPRESSURE: 2745800 84.013 46.3748 119.241 75.2126 -138.467 42.6326 66.0849 102.022 -57.9351 PRESSAVG: 2745800 89.0989 75.689 22.3836 75.689 35.2968 49.7841 22.3836 49.7842 -77.6871 GPRESSAVG: 2745800 87.8453 75.7755 22.3463 73.5161 35.7934 49.2129 21.9658 52.0993 -77.2219 TIMING: 2745800 CPU: 7957.24, 0.00294066/step Wall: 7957.24, 0.00294066/step, 1.84134 hours remaining, 210.613281 MB of memory in use. ENERGY: 2745800 756.4554 2093.5765 1946.9863 108.5860 -206093.3499 17682.2931 0.0000 0.0000 34338.5003 -149166.9524 299.8867 -183505.4526 -149075.0329 299.5299 -70.7324 -37.4630 557279.7885 15.5695 15.4723 PRESSURE: 2746000 195.318 18.714 -258.942 18.7142 -200.446 143.207 -258.942 143.209 -146.091 GPRESSURE: 2746000 247.363 35.9122 -297.597 -77.3889 -223.601 143.508 -288.167 174.016 -79.1841 PRESSAVG: 2746000 -17.0662 53.0293 24.5246 53.0294 38.4254 21.7969 24.5246 21.7968 -33.3972 GPRESSAVG: 2746000 -15.9312 52.8177 24.0684 51.6164 38.4574 21.0134 24.4778 20.6874 -34.0547 TIMING: 2746000 CPU: 7957.82, 0.00290766/step Wall: 7957.82, 0.00290766/step, 1.82052 hours remaining, 210.613281 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: 2746000 732.1850 2082.2951 1946.8016 116.3362 -205938.5435 17675.2755 0.0000 0.0000 34409.1311 -148976.5190 300.5035 -183385.6501 -148882.7035 299.2449 -50.4062 -18.4741 558053.9891 -4.0127 -3.8428 PRESSURE: 2746200 135.321 -77.6106 -33.0379 -77.6094 190.85 -43.115 -33.0376 -43.1172 230.943 GPRESSURE: 2746200 182.158 -124.365 -18.2076 32.8338 234.005 -41.2527 -23.0665 3.27866 218.756 PRESSAVG: 2746200 3.67067 9.33114 -47.6359 9.33123 14.8607 14.1272 -47.6359 14.1272 -40.92 GPRESSAVG: 2746200 3.72392 7.84181 -48.0153 12.1876 15.0158 15.0264 -46.8438 13.738 -41.5815 TIMING: 2746200 CPU: 7958.4, 0.00290106/step Wall: 7958.4, 0.00290106/step, 1.81623 hours remaining, 210.613281 MB of memory in use. ENERGY: 2746200 740.6775 2065.0604 1930.0354 110.6209 -206412.9523 18090.9232 0.0000 0.0000 34439.0585 -149036.5765 300.7649 -183475.6350 -148941.5534 300.5781 185.7045 211.6398 556886.7484 -7.4629 -7.6139 PRESSURE: 2746400 73.0629 116.146 26.6403 116.147 -23.6741 28.7926 26.6399 28.793 -171.576 GPRESSURE: 2746400 108.628 66.7521 62.6063 156.784 -0.24933 26.7553 -15.0354 13.2399 -130.867 PRESSAVG: 2746400 96.2947 22.0993 1.08737 22.0992 41.9181 21.5046 1.08732 21.5045 -110.731 GPRESSAVG: 2746400 96.4407 22.3755 0.689908 21.8109 42.0249 21.2315 1.53481 23.2616 -110.326 TIMING: 2746400 CPU: 7958.99, 0.00292067/step Wall: 7958.99, 0.00292067/step, 1.82834 hours remaining, 210.613281 MB of memory in use. ENERGY: 2746400 715.4928 2082.9266 1929.2140 121.4920 -205909.5629 17619.8794 0.0000 0.0000 34267.5217 -149173.0365 299.2668 -183440.5582 -149073.7177 300.1109 -40.7291 -7.4963 556393.5169 9.1605 9.3798 PRESSURE: 2746600 -442.423 50.8825 -83.3113 50.8832 -169.678 80.136 -83.312 80.1376 -231.015 GPRESSURE: 2746600 -403.589 10.2711 -94.1498 52.9337 -124.745 49.7154 -3.82387 44.8749 -202.111 PRESSAVG: 2746600 33.526 52.1731 16.5754 52.1733 29.1335 32.0484 16.5754 32.0484 -93.9034 GPRESSAVG: 2746600 33.5297 53.4661 17.4958 53.9265 28.9153 32.1387 15.8271 29.7486 -93.5034 TIMING: 2746600 CPU: 7959.57, 0.00291306/step Wall: 7959.57, 0.00291306/step, 1.82341 hours remaining, 210.613281 MB of memory in use. ENERGY: 2746600 764.8999 2041.7031 1940.6172 119.2378 -205724.5876 17386.1625 0.0000 0.0000 34389.1214 -149082.8457 300.3288 -183471.9672 -148984.5136 299.5917 -281.0390 -243.4816 558927.5688 -10.4146 -10.3528 PRESSURE: 2746800 -102.381 -127.299 46.0651 -127.299 -265.215 -59.7228 46.0644 -59.7218 -318.287 GPRESSURE: 2746800 -80.5113 -93.898 68.9387 -198.641 -255.16 -49.0538 25.8781 -52.1802 -243.622 PRESSAVG: 2746800 90.7201 8.58715 19.716 8.58705 -29.7137 12.5114 19.716 12.5114 -37.086 GPRESSAVG: 2746800 89.1388 7.20875 18.6538 9.33043 -29.1321 12.4885 20.6175 11.8731 -35.4353 TIMING: 2746800 CPU: 7960.15, 0.00289656/step Wall: 7960.15, 0.00289656/step, 1.81292 hours remaining, 210.613281 MB of memory in use. ENERGY: 2746800 767.5938 2118.5509 1930.3123 108.5209 -206080.2590 17611.2608 0.0000 0.0000 34310.0425 -149233.9778 299.6381 -183544.0202 -149134.0456 299.6677 -228.6277 -193.0978 558215.1455 7.9735 8.1905 PRESSURE: 2747000 -55.6463 -112.04 -14.9147 -112.04 -228.218 -78.5374 -14.9156 -78.5375 -338.164 GPRESSURE: 2747000 -2.12156 -141.488 24.3995 -148.084 -180.605 -68.0094 44.7738 -2.06962 -326.242 PRESSAVG: 2747000 48.4476 -8.10948 40.4224 -8.10957 -12.5121 -63.863 40.4223 -63.863 -55.5617 GPRESSAVG: 2747000 50.6059 -5.40648 41.9058 -10.4415 -13.1247 -63.7818 38.5701 -62.4089 -56.162 TIMING: 2747000 CPU: 7960.73, 0.0029055/step Wall: 7960.73, 0.0029055/step, 1.81836 hours remaining, 210.613281 MB of memory in use. ENERGY: 2747000 774.8831 2100.0229 1937.9566 114.3232 -206347.7799 17815.1118 0.0000 0.0000 34297.3072 -149308.1749 299.5269 -183605.4821 -149204.5750 298.6590 -207.3427 -169.6562 558451.6903 -6.5421 -6.2269 PRESSURE: 2747200 4.65098 185.421 -28.4674 185.421 117.232 -31.3701 -28.4661 -31.3695 32.9085 GPRESSURE: 2747200 46.7963 126.384 49.8205 197.595 153.483 -115.381 -54.0662 -62.9353 36.3944 PRESSAVG: 2747200 4.05979 -59.9133 0.00399357 -59.9133 20.2591 -32.8146 0.0040498 -32.8145 -21.1698 GPRESSAVG: 2747200 3.80782 -62.8738 -1.20833 -59.1768 21.526 -32.5101 3.49743 -32.9459 -21.9633 TIMING: 2747200 CPU: 7961.31, 0.002914/step Wall: 7961.31, 0.002914/step, 1.82352 hours remaining, 210.613281 MB of memory in use. ENERGY: 2747200 750.3686 2127.4642 1952.2393 103.1833 -206298.1839 17798.4983 0.0000 0.0000 34273.1357 -149293.2946 299.3158 -183566.4302 -149194.2385 298.8057 51.5970 78.8913 556393.3264 1.0497 1.1235 PRESSURE: 2747400 205.74 17.4059 -76.7279 17.4044 -16.8313 -99.2065 -76.7291 -99.2056 407.522 GPRESSURE: 2747400 211.931 -66.7918 -131.939 130.458 36.4001 -117.199 -50.504 -44.795 446.558 PRESSAVG: 2747400 -30.6008 -17.0593 57.6916 -17.0593 -2.55768 -14.7684 57.6915 -14.7685 29.057 GPRESSAVG: 2747400 -30.5613 -16.1128 58.7144 -15.6021 -3.58997 -15.9468 55.0712 -16.7601 30.0656 TIMING: 2747400 CPU: 7961.9, 0.00292014/step Wall: 7961.9, 0.00292014/step, 1.8272 hours remaining, 210.613281 MB of memory in use. ENERGY: 2747400 718.9295 2097.6677 1952.8003 115.2683 -206593.5123 18018.1123 0.0000 0.0000 34555.2178 -149135.5165 301.7793 -183690.7343 -149039.8628 299.1661 198.8103 231.6297 556103.5226 -1.3672 -1.3619 PRESSURE: 2747600 -230.426 62.8419 -106.378 62.8425 74.3163 181.674 -106.378 181.674 142.591 GPRESSURE: 2747600 -164.645 -16.2175 -91.264 87.1985 68.4433 193.618 -74.4041 242.742 180.368 PRESSAVG: 2747600 -24.5232 9.56766 12.1492 9.56776 -51.2126 -42.1247 12.1491 -42.1246 76.3228 GPRESSAVG: 2747600 -24.71 9.30293 12.613 8.75169 -51.8663 -41.1266 11.3688 -40.235 76.5353 TIMING: 2747600 CPU: 7962.48, 0.00289861/step Wall: 7962.48, 0.00289861/step, 1.81356 hours remaining, 210.613281 MB of memory in use. ENERGY: 2747600 735.4436 2078.1474 1951.8523 114.3514 -206142.1309 17589.5257 0.0000 0.0000 34534.7803 -149138.0301 301.6008 -183672.8104 -149038.2009 300.1304 -4.5062 28.0555 555898.4024 0.1957 -0.0137 PRESSURE: 2747800 -216.393 -4.18881 98.3351 -4.18835 -182.755 -76.2775 98.3351 -76.2783 -28.9285 GPRESSURE: 2747800 -180.537 8.40029 145.844 36.6504 -159.245 16.0705 88.4736 -58.8553 8.99174 PRESSAVG: 2747800 -110.924 -65.7355 0.276703 -65.7356 -20.8212 -1.80276 0.276645 -1.8027 80.6676 GPRESSAVG: 2747800 -111.423 -64.429 -1.48918 -64.9352 -20.651 0.516892 1.4478 -3.43856 80.8298 TIMING: 2747800 CPU: 7963.06, 0.00290378/step Wall: 7963.06, 0.00290378/step, 1.81664 hours remaining, 210.613281 MB of memory in use. ENERGY: 2747800 753.7372 2058.4368 1966.1930 111.0526 -205761.0448 17581.3753 0.0000 0.0000 34361.0548 -148929.1951 300.0836 -183290.2499 -148832.1543 299.5301 -142.6921 -110.2634 557976.5860 -17.0258 -17.0813 PRESSURE: 2748000 -98.6694 -191.871 96.6264 -191.871 6.37342 -95.7029 96.6267 -95.7034 457.535 GPRESSURE: 2748000 -96.5122 -150.593 11.8691 -212.291 108.47 -46.5161 74.2106 -101.534 456.498 PRESSAVG: 2748000 -65.5113 -6.50963 -6.04379 -6.50961 28.9146 24.2432 -6.04387 24.2432 77.4925 GPRESSAVG: 2748000 -64.3883 -7.37267 -5.39656 -7.42218 27.8872 22.1226 -7.43293 25.7548 77.5432 TIMING: 2748000 CPU: 7963.64, 0.00289122/step Wall: 7963.64, 0.00289122/step, 1.80862 hours remaining, 210.613281 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: 2748000 731.4464 2059.1152 1957.5150 109.5904 -206230.9445 17994.4894 0.0000 0.0000 34281.3168 -149097.4712 299.3873 -183378.7880 -149004.0139 300.0264 121.7462 156.1523 558383.3201 13.6319 13.6807 PRESSURE: 2748200 -120.539 -7.26094 -51.4722 -7.26024 15.916 -67.9001 -51.4738 -67.9022 151.985 GPRESSURE: 2748200 -61.5408 -40.6818 -174.326 9.52613 7.27989 -109.86 23.9368 -74.8173 192.649 PRESSAVG: 2748200 -79.5186 -48.0178 2.19265 -48.0178 -10.9378 24.3316 2.19258 24.3315 78.2449 GPRESSAVG: 2748200 -80.0596 -48.0976 2.52707 -45.8781 -10.1612 25.4019 3.05168 22.8019 77.4885 TIMING: 2748200 CPU: 7964.22, 0.00290611/step Wall: 7964.22, 0.00290611/step, 1.81777 hours remaining, 210.613281 MB of memory in use. ENERGY: 2748200 744.5370 2064.5801 1955.9350 113.2579 -206262.3110 18085.9492 0.0000 0.0000 34140.1311 -149157.9205 298.1543 -183298.0517 -149069.9865 298.8404 15.7873 46.1295 559001.8761 -4.0705 -4.2441 LDB: ============= START OF LOAD BALANCING ============== 7967.6 LDB: ============== END OF LOAD BALANCING =============== 7967.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7967.6 LDB: ============= START OF LOAD BALANCING ============== 7967.89 LDB: Largest compute 4800 load 0.027155 is 23.0% of average load 0.117887 LDB: Average compute 0.001756 is 1.5% of average load 0.117887 LDB: TIME 7967.89 LOAD: AVG 0.117887 MAX 0.17983 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.898 MB LDB: TIME 7967.9 LOAD: AVG 0.117887 MAX 0.17983 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.902 MB LDB: TIME 7967.9 LOAD: AVG 0.117887 MAX 0.17983 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7967.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7967.9 PRESSURE: 2748400 -187.806 108.892 -188.556 108.892 -153.58 -133.013 -188.556 -133.014 -12.3024 GPRESSURE: 2748400 -133.247 116.582 -164.938 39.2373 -107.547 -154.54 -172.348 -142.905 -3.67169 PRESSAVG: 2748400 -42.0539 36.8851 -28.0462 36.8852 -14.3194 -2.79011 -28.0461 -2.79002 42.6041 GPRESSAVG: 2748400 -41.9308 36.6204 -30.3413 36.4301 -13.9958 -2.03982 -25.6151 -3.06744 42.3232 TIMING: 2748400 CPU: 7964.81, 0.0029441/step Wall: 7964.81, 0.0029441/step, 1.84137 hours remaining, 208.164062 MB of memory in use. ENERGY: 2748400 758.4614 2068.8627 1958.6920 117.2565 -206114.8809 17808.5994 0.0000 0.0000 34338.9768 -149064.0322 299.8908 -183403.0090 -148967.8292 298.9459 -117.8961 -81.4885 559556.2995 -4.5898 -4.5344 PRESSURE: 2748600 -167.124 189.491 102.725 189.491 -386.708 98.8282 102.725 98.8277 -240.063 GPRESSURE: 2748600 -152 160.139 138.811 288.603 -354.303 135.275 85.4011 25.3561 -205.667 PRESSAVG: 2748600 -34.2926 6.94207 -16.0863 6.94201 65.9926 -22.9747 -16.0862 -22.9746 -10.9937 GPRESSAVG: 2748600 -34.117 7.47965 -13.2008 5.20717 65.5324 -25.5285 -18.2824 -20.3635 -10.5839 TIMING: 2748600 CPU: 7965.38, 0.0028871/step Wall: 7965.38, 0.0028871/step, 1.80556 hours remaining, 208.164062 MB of memory in use. ENERGY: 2748600 745.5754 2096.5360 1947.5711 107.4270 -205632.0002 17457.4490 0.0000 0.0000 34391.7641 -148885.6776 300.3518 -183277.4417 -148787.8078 300.3209 -264.6314 -237.3233 560269.5057 6.9021 6.9439 PRESSURE: 2748800 -87.6467 29.584 -124.445 29.5836 -34.6428 38.1623 -124.447 38.1636 -284.249 GPRESSURE: 2748800 -85.2462 23.2118 -77.9688 50.3463 -34.9778 96.4906 -145.167 -107.381 -186.062 PRESSAVG: 2748800 -59.3593 37.1902 -3.50801 37.1902 -15.7669 -28.3393 -3.50805 -28.3393 31.4063 GPRESSAVG: 2748800 -60.9057 36.7707 -4.90938 36.7316 -14.3551 -27.2733 -2.08334 -29.2948 31.8259 TIMING: 2748800 CPU: 7965.96, 0.00287822/step Wall: 7965.96, 0.00287822/step, 1.79985 hours remaining, 208.164062 MB of memory in use. ENERGY: 2748800 740.0906 2043.8903 1972.4706 128.7660 -206297.0758 17808.6527 0.0000 0.0000 34466.5535 -149136.6521 301.0050 -183603.2056 -149036.6408 299.9769 -135.5129 -102.0954 557768.9705 -14.5733 -14.4783 PRESSURE: 2749000 0.611665 0.0139673 71.2588 0.0161659 20.5952 -49.4993 71.2576 -49.4991 -201.423 GPRESSURE: 2749000 -10.3833 21.3944 40.731 -30.285 51.7644 -10.7662 139.172 -89.5887 -131.774 PRESSAVG: 2749000 -11.5402 18.5826 8.04557 18.5826 -23.6845 -18.3628 8.04551 -18.3628 48.6167 GPRESSAVG: 2749000 -11.6154 20.6319 8.30443 18.5068 -24.5636 -15.7386 6.42532 -21.0319 50.1628 TIMING: 2749000 CPU: 7966.53, 0.00287938/step Wall: 7966.53, 0.00287938/step, 1.80041 hours remaining, 208.164062 MB of memory in use. ENERGY: 2749000 764.3707 2066.8302 1944.9552 100.0540 -206247.3918 18045.5226 0.0000 0.0000 34008.9287 -149316.7304 297.0084 -183325.6591 -149224.7620 299.0576 -60.0720 -30.1309 558435.9914 4.4640 4.6613 PRESSURE: 2749200 -91.9629 48.3491 -59.1155 48.3489 -247.544 -1.78427 -59.116 -1.78383 77.5778 GPRESSURE: 2749200 -34.8612 23.7544 -45.534 4.77235 -275.556 71.6397 -42.8593 -110.448 133.721 PRESSAVG: 2749200 -30.0502 35.2045 32.5435 35.2045 35.6186 -6.83532 32.5434 -6.83542 8.34593 GPRESSAVG: 2749200 -29.0869 34.7163 32.5712 35.7687 35.889 -12.3182 31.8148 -3.30983 7.31726 TIMING: 2749200 CPU: 7967.12, 0.00291895/step Wall: 7967.12, 0.00291894/step, 1.82499 hours remaining, 208.164062 MB of memory in use. ENERGY: 2749200 739.6220 2090.3218 1920.4066 114.7901 -206491.6989 17848.7961 0.0000 0.0000 34472.8319 -149304.9303 301.0598 -183777.7622 -149209.7497 299.0456 -87.3096 -58.8988 557746.9165 4.6381 4.7065 PRESSURE: 2749400 -278.861 -27.6456 -97.7911 -27.6455 -109.474 -167.228 -97.7906 -167.225 181.066 GPRESSURE: 2749400 -251.237 -23.2136 -64.4139 -65.2774 -50.9899 -152.628 -55.9229 -188.629 193.184 PRESSAVG: 2749400 -11.1008 -45.5141 56.274 -45.5142 -60.3554 -77.6621 56.2739 -77.6621 94.1004 GPRESSAVG: 2749400 -10.3961 -44.0808 55.0966 -47.3271 -60.6386 -75.4223 58.2384 -81.3101 93.5299 TIMING: 2749400 CPU: 7967.7, 0.00289041/step Wall: 7967.7, 0.00289041/step, 1.80699 hours remaining, 208.164062 MB of memory in use. ENERGY: 2749400 747.0752 2139.7884 1975.5443 100.0038 -206365.2526 17802.6206 0.0000 0.0000 34027.2200 -149573.0003 297.1682 -183600.2203 -149466.3037 298.7175 -69.0895 -36.3474 557253.9265 7.5481 7.4984 PRESSURE: 2749600 -76.6063 11.0913 -24.2845 11.0908 19.8024 95.8782 -24.2832 95.8777 -42.7079 GPRESSURE: 2749600 -47.4882 6.3096 24.3169 108.76 38.6562 158.194 -53.221 -13.4418 -6.05662 PRESSAVG: 2749600 -35.7251 7.36036 2.2041 7.36043 23.5835 -46.8956 2.20414 -46.8956 64.3893 GPRESSAVG: 2749600 -37.5254 5.25332 3.091 9.84337 23.7861 -46.1505 1.31824 -45.2009 65.8834 TIMING: 2749600 CPU: 7968.28, 0.00292098/step Wall: 7968.28, 0.00292098/step, 1.82594 hours remaining, 208.164062 MB of memory in use. ENERGY: 2749600 733.6593 2109.2825 1946.4925 110.4514 -206264.8991 17619.3048 0.0000 0.0000 34345.0492 -149400.6593 299.9439 -183745.7086 -149299.9526 298.3700 -33.1706 -4.9629 555037.6841 17.4159 17.3814 PRESSURE: 2749800 -65.711 -54.682 -163.279 -54.6811 192.37 35.2678 -163.279 35.2684 -52.646 GPRESSURE: 2749800 -18.2593 -107.986 -116.698 -31.7554 191.389 48.6825 -148.816 46.7455 -7.99847 PRESSAVG: 2749800 -58.7776 45.335 -73.3061 45.335 -14.4639 -17.9251 -73.306 -17.9249 62.2071 GPRESSAVG: 2749800 -58.1041 45.6685 -73.9886 46.0789 -13.7359 -19.0111 -72.0956 -16.6087 60.7672 TIMING: 2749800 CPU: 7968.86, 0.00289468/step Wall: 7968.86, 0.00289468/step, 1.80934 hours remaining, 208.234375 MB of memory in use. ENERGY: 2749800 747.9859 2101.3342 1960.5899 114.6930 -206291.1776 17847.4433 0.0000 0.0000 34197.9034 -149321.2279 298.6588 -183519.1313 -149217.9373 299.0136 24.6710 55.0439 556807.7875 -3.6781 -3.6910 PRESSURE: 2750000 -196.737 -46.1803 -20.4985 -46.1798 -12.9356 -56.7643 -20.4994 -56.765 -40.8571 GPRESSURE: 2750000 -149.287 75.7897 -92.6896 -139.773 -25.3549 66.1277 18.0447 -20.6018 26.7306 PRESSAVG: 2750000 4.78581 42.554 -13.971 42.554 -46.3089 -46.3575 -13.9711 -46.3575 14.5389 GPRESSAVG: 2750000 4.97791 40.5597 -14.8316 41.2315 -46.2078 -45.5338 -14.3077 -47.083 14.9816 TIMING: 2750000 CPU: 7969.44, 0.00288021/step Wall: 7969.44, 0.00288021/step, 1.80013 hours remaining, 208.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2750000 752.3173 2077.2656 1968.3924 119.2549 -206446.1046 17894.3245 0.0000 0.0000 34359.7650 -149274.7849 300.0724 -183634.5500 -149177.3201 299.1219 -83.5099 -49.3038 557041.4711 -8.9947 -8.7495 PRESSURE: 2750200 -162.623 -53.7786 -98.2266 -53.7783 -84.1941 201.665 -98.2267 201.665 -220.521 GPRESSURE: 2750200 -176.542 -86.8859 -96.3304 -48.7983 11.0441 248.742 -68.4461 130.944 -205.048 PRESSAVG: 2750200 16.2766 -20.3787 -46.195 -20.3788 -10.5672 7.10695 -46.195 7.10705 -13.2175 GPRESSAVG: 2750200 16.1043 -19.9052 -44.6317 -20.5854 -10.3753 5.7052 -45.0682 8.20588 -13.184 TIMING: 2750200 CPU: 7970.01, 0.00288999/step Wall: 7970.01, 0.00288999/step, 1.80609 hours remaining, 208.234375 MB of memory in use. ENERGY: 2750200 745.8528 2153.9235 1953.4689 112.0095 -206314.0835 17783.0585 0.0000 0.0000 33953.9024 -149611.8678 296.5279 -183565.7702 -149505.6236 298.6848 -155.7793 -123.5155 557472.5151 -2.5027 -2.4850 PRESSURE: 2750400 214.191 -36.1871 -148.227 -36.1862 237.091 40.0197 -148.227 40.0206 19.6318 GPRESSURE: 2750400 228.411 -32.4783 -155.822 -45.6785 322.988 35.0132 -110.137 127.087 23.8332 PRESSAVG: 2750400 21.755 -53.9806 9.56534 -53.9805 44.6576 48.2056 9.56541 48.2054 -22.4816 GPRESSAVG: 2750400 22.4201 -54.6056 9.56104 -53.2909 44.3038 48.6579 8.68129 48.9215 -23.0348 TIMING: 2750400 CPU: 7970.59, 0.00288615/step Wall: 7970.59, 0.00288615/step, 1.80353 hours remaining, 208.234375 MB of memory in use. ENERGY: 2750400 762.2749 2142.8667 1946.5849 101.9804 -206841.5761 18252.0657 0.0000 0.0000 34098.5747 -149537.2288 297.7913 -183635.8036 -149444.2549 298.4387 156.9713 191.7442 558044.5881 14.6437 14.5630 PRESSURE: 2750600 174.895 -15.4183 -156.125 -15.4183 84.9933 -120.83 -156.124 -120.833 -76.3742 GPRESSURE: 2750600 259.917 -27.8643 -158.535 70.0526 84.5986 -72.3128 -179.314 -98.6688 -61.8355 PRESSAVG: 2750600 -0.585356 -25.3455 -1.28528 -25.3454 22.2141 -18.6103 -1.28523 -18.6105 27.7603 GPRESSAVG: 2750600 -1.01994 -24.3249 -2.88756 -25.2045 21.3794 -20.4011 -3.40135 -18.9602 28.7868 TIMING: 2750600 CPU: 7971.17, 0.0028956/step Wall: 7971.17, 0.0028956/step, 1.80927 hours remaining, 208.234375 MB of memory in use. ENERGY: 2750600 786.2370 2113.7777 1967.0024 108.9522 -206473.2551 17933.1659 0.0000 0.0000 34148.3952 -149415.7247 298.2264 -183564.1198 -149321.3339 298.5206 61.1714 94.2268 556745.5675 16.4630 16.3821 PRESSURE: 2750800 -209.237 85.1349 204.137 85.1348 -258.944 257.413 204.137 257.414 -265.767 GPRESSURE: 2750800 -189.479 137.113 237.601 102.449 -198.453 228.627 232.534 173.59 -245.79 PRESSAVG: 2750800 46.9671 19.0426 -21.1036 19.0425 -5.35691 -8.92193 -21.1035 -8.92196 -62.2861 GPRESSAVG: 2750800 46.1086 16.9581 -19.6043 19.5384 -4.4177 -5.68788 -19.8182 -8.98932 -62.9279 TIMING: 2750800 CPU: 7971.75, 0.00288153/step Wall: 7971.75, 0.00288153/step, 1.80032 hours remaining, 208.234375 MB of memory in use. ENERGY: 2750800 787.2917 2142.8569 1944.6672 120.3056 -206240.4051 17487.1451 0.0000 0.0000 34383.0266 -149375.1121 300.2755 -183758.1386 -149281.4046 298.6450 -244.6493 -211.2406 556475.9643 -6.8920 -7.0790 PRESSURE: 2751000 -193.668 -8.95346 63.1519 -8.95306 -321.24 37.0358 63.1516 37.0367 -109.886 GPRESSURE: 2751000 -187.046 -59.2897 92.8682 -51.0166 -268.529 10.4157 39.1934 86.4981 -68.4179 PRESSAVG: 2751000 53.8382 57.8859 33.5758 57.8859 -62.057 45.5326 33.5757 45.5326 60.9372 GPRESSAVG: 2751000 54.1727 58.8106 32.7492 56.227 -62.595 45.1543 33.164 44.4755 61.0526 TIMING: 2751000 CPU: 7972.32, 0.00289126/step Wall: 7972.32, 0.00289126/step, 1.80623 hours remaining, 208.433594 MB of memory in use. ENERGY: 2751000 747.8404 2078.6480 1955.3626 96.9143 -205784.9950 17294.7303 0.0000 0.0000 34232.1950 -149379.3044 298.9583 -183611.4994 -149279.0842 298.2385 -208.2651 -174.6641 556488.4175 17.5728 17.5434 PRESSURE: 2751200 26.3219 -4.63813 45.1892 -4.63671 -46.3208 -123.847 45.1896 -123.846 107.299 GPRESSURE: 2751200 50.195 104.659 42.9795 -20.8523 -7.52168 -110.928 -2.67104 -170.917 132.608 PRESSAVG: 2751200 -19.9585 9.21959 15.6848 9.21965 2.21539 -30.0986 15.6846 -30.0986 -22.9152 GPRESSAVG: 2751200 -20.2746 10.2595 15.7363 8.92977 1.72488 -29.8668 15.8889 -32.023 -22.3889 TIMING: 2751200 CPU: 7972.9, 0.00288984/step Wall: 7972.9, 0.00288984/step, 1.80519 hours remaining, 208.433594 MB of memory in use. ENERGY: 2751200 737.6164 2132.5388 1959.7255 120.4353 -206278.3461 17810.5700 0.0000 0.0000 34141.9109 -149375.5491 298.1698 -183517.4601 -149282.8775 298.7757 29.1001 58.4270 556473.4435 -13.5528 -13.6462 PRESSURE: 2751400 -257.615 -99.4032 71.3102 -99.4016 -62.5269 -47.9387 71.31 -47.9404 -132.637 GPRESSURE: 2751400 -199.626 -37.56 145.638 -60.3214 -6.19686 -19.7697 0.558108 -58.1629 -158.437 PRESSAVG: 2751400 4.29308 27.2829 -7.79689 27.283 44.2483 13.4357 -7.79696 13.4358 -34.8115 GPRESSAVG: 2751400 5.21222 26.8194 -5.8147 28.6956 44.4008 13.5432 -9.59976 14.2485 -36.2445 TIMING: 2751400 CPU: 7973.48, 0.00289094/step Wall: 7973.48, 0.00289094/step, 1.80572 hours remaining, 208.433594 MB of memory in use. ENERGY: 2751400 772.8909 2142.7374 1917.7130 109.3828 -206159.5379 17734.2179 0.0000 0.0000 34308.8477 -149173.7481 299.6277 -183482.5958 -149078.7475 299.3118 -150.9263 -121.4201 557372.1065 4.5766 4.4562 PRESSURE: 2751600 34.0477 188.973 134.865 188.973 100.305 32.2524 134.864 32.2542 57.4285 GPRESSURE: 2751600 24.2256 89.4802 113.046 279.66 158.535 45.2815 112.789 60.1402 104.656 PRESSAVG: 2751600 33.3008 3.50076 0.643992 3.50077 -5.49739 16.3765 0.643927 16.3765 -26.4208 GPRESSAVG: 2751600 32.9187 2.95261 0.377933 3.8568 -5.37818 15.4263 2.02456 16.4559 -25.8833 TIMING: 2751600 CPU: 7974.06, 0.0028927/step Wall: 7974.06, 0.0028927/step, 1.80665 hours remaining, 208.433594 MB of memory in use. ENERGY: 2751600 794.3131 2035.4625 1958.1128 120.9668 -206439.6265 18104.3599 0.0000 0.0000 34194.8878 -149231.5235 298.6325 -183426.4113 -149134.2286 299.0989 63.9270 95.8055 557246.3090 0.4609 0.5524 PRESSURE: 2751800 157.398 -174.505 -98.6918 -174.505 -205.945 164.628 -98.6894 164.628 -169.78 GPRESSURE: 2751800 191.329 -205.578 -76.4484 -192.928 -164.053 170.613 -112.257 180.922 -141.673 PRESSAVG: 2751800 -1.83533 30.3956 -45.831 30.3957 5.66716 8.63034 -45.8308 8.63038 37.1828 GPRESSAVG: 2751800 -2.40252 30.9015 -50.2386 28.7115 6.51752 8.42204 -44.2655 8.12568 37.3127 TIMING: 2751800 CPU: 7974.64, 0.00289206/step Wall: 7974.64, 0.00289206/step, 1.80609 hours remaining, 208.433594 MB of memory in use. ENERGY: 2751800 762.9080 2049.5395 1958.9501 106.1495 -206149.3151 17771.8602 0.0000 0.0000 34239.9783 -149259.9294 299.0262 -183499.9077 -149166.2733 299.2833 -72.7755 -38.1325 556397.6719 13.6715 13.8092 PRESSURE: 2752000 219.845 -163.175 31.5951 -163.175 -121.319 119.717 31.5961 119.719 -89.177 GPRESSURE: 2752000 210.386 -104.604 -33.4881 -193.997 -39.1621 102.888 69.1815 60.1826 -49.9654 PRESSAVG: 2752000 40.5737 12.4038 -41.7531 12.4038 1.43528 50.2791 -41.7531 50.2792 -12.4166 GPRESSAVG: 2752000 41.4732 12.9692 -38.7361 12.0184 1.84106 51.665 -41.1469 50.3742 -13.7213 TIMING: 2752000 CPU: 7975.21, 0.00287988/step Wall: 7975.21, 0.00287988/step, 1.79832 hours remaining, 208.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2752000 761.6479 2057.5166 1941.0570 131.1063 -206454.8357 17939.1450 0.0000 0.0000 34440.4059 -149183.9570 300.7766 -183624.3629 -149082.5111 299.5889 3.1164 40.4196 556837.0098 9.8641 9.8643 PRESSURE: 2752200 70.1219 -65.7062 56.37 -65.7068 -152.056 29.9958 56.3693 29.996 158.355 GPRESSURE: 2752200 114.268 -117.813 54.9032 -85.7654 -111.052 -69.6502 11.7892 109.9 174.879 PRESSAVG: 2752200 40.8595 -60.5219 1.5376 -60.5218 10.3197 24.8884 1.5376 24.8884 -76.6915 GPRESSAVG: 2752200 39.5298 -62.2299 0.973202 -58.4408 10.0745 25.0985 0.522664 25.6539 -75.4028 TIMING: 2752200 CPU: 7975.79, 0.00289579/step Wall: 7975.79, 0.00289579/step, 1.8081 hours remaining, 208.433594 MB of memory in use. ENERGY: 2752200 754.5012 2095.9722 1922.6536 115.3630 -206181.8837 17866.5008 0.0000 0.0000 34093.2160 -149333.6768 297.7445 -183426.8928 -149243.2790 299.0744 25.4735 59.3652 556961.3634 -8.5041 -8.5995 LDB: ============= START OF LOAD BALANCING ============== 7979.18 LDB: ============== END OF LOAD BALANCING =============== 7979.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7979.18 LDB: ============= START OF LOAD BALANCING ============== 7979.47 LDB: Largest compute 4800 load 0.026585 is 22.5% of average load 0.117907 LDB: Average compute 0.001754 is 1.5% of average load 0.117907 LDB: TIME 7979.47 LOAD: AVG 0.117907 MAX 0.177043 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.543 MB LDB: TIME 7979.47 LOAD: AVG 0.117907 MAX 0.177043 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.543 MB LDB: TIME 7979.47 LOAD: AVG 0.117907 MAX 0.177043 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.543 MB LDB: ============== END OF LOAD BALANCING =============== 7979.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7979.48 PRESSURE: 2752400 -210.726 51.5278 62.7404 51.5278 -385.023 -5.7658 62.7411 -5.76453 -177.544 GPRESSURE: 2752400 -150.762 36.7158 57.8275 26.2741 -371.585 57.9863 53.8469 64.1681 -150.622 PRESSAVG: 2752400 67.9293 -47.3171 45.3948 -47.317 -51.9453 20.7738 45.3947 20.7737 -16.1384 GPRESSAVG: 2752400 67.4501 -47.9043 44.9854 -47.0065 -54.3451 22.1987 44.1562 19.021 -13.5277 TIMING: 2752400 CPU: 7976.38, 0.00295223/step Wall: 7976.38, 0.00295223/step, 1.84317 hours remaining, 208.972656 MB of memory in use. ENERGY: 2752400 756.4950 2097.6661 1937.4652 112.9475 -205694.2321 17388.7268 0.0000 0.0000 34088.4373 -149312.4941 297.7028 -183400.9315 -149214.5907 299.1786 -257.7641 -224.3233 557299.7685 -0.0515 -0.1409 PRESSURE: 2752600 320.412 3.22741 -57.666 3.22868 120.358 47.288 -57.6659 47.2886 -36.987 GPRESSURE: 2752600 334.655 31.8615 -134.802 3.33677 153.841 149.268 -44.9896 -10.1258 16.2006 PRESSAVG: 2752600 43.126 -29.876 39.6004 -29.876 13.7229 39.437 39.6005 39.4371 -48.5243 GPRESSAVG: 2752600 44.1377 -30.0581 38.1914 -31.1498 15.5782 36.5406 41.8686 41.3751 -50.8123 TIMING: 2752600 CPU: 7976.96, 0.00288817/step Wall: 7976.96, 0.00288817/step, 1.80302 hours remaining, 209.269531 MB of memory in use. ENERGY: 2752600 743.6648 2103.5233 1944.1805 120.3245 -206538.2784 18090.7287 0.0000 0.0000 34303.0501 -149232.8064 299.5771 -183535.8565 -149136.7257 299.4403 134.5943 168.2322 555396.7664 2.7749 2.9679 PRESSURE: 2752800 72.7887 -50.3525 -106.583 -50.3527 162.837 -101.426 -106.583 -101.425 131.897 GPRESSURE: 2752800 112.449 65.9672 -192.887 -34.9352 198.153 -66.3461 -35.8334 -103.555 156.178 PRESSAVG: 2752800 20.5237 -16.9055 47.7696 -16.9055 3.55519 12.8506 47.7696 12.8506 7.57725 GPRESSAVG: 2752800 20.5948 -17.2252 47.6617 -15.2041 5.07953 13.4427 46.9284 11.58 6.20811 TIMING: 2752800 CPU: 7977.54, 0.00289886/step Wall: 7977.54, 0.00289886/step, 1.80954 hours remaining, 209.269531 MB of memory in use. ENERGY: 2752800 765.2612 2139.3145 1937.2298 108.1447 -206347.3469 18032.8426 0.0000 0.0000 33996.1600 -149368.3941 296.8969 -183364.5542 -149276.6325 298.5539 122.5074 155.5935 555469.9965 10.5520 10.6275 PRESSURE: 2753000 -32.8225 36.3424 152.285 36.3432 296.895 69.0812 152.285 69.081 201.777 GPRESSURE: 2753000 35.6653 35.5071 195.33 34.4636 300.518 39.3477 222.947 200.168 230.78 PRESSAVG: 2753000 -13.2737 22.7505 13.8448 22.7505 6.95671 -9.96451 13.8449 -9.96452 -29.3177 GPRESSAVG: 2753000 -13.3287 23.1066 14.193 21.9905 6.07927 -10.5783 14.0976 -8.04229 -28.662 TIMING: 2753000 CPU: 7978.12, 0.00291733/step Wall: 7978.12, 0.00291733/step, 1.8209 hours remaining, 209.406250 MB of memory in use. ENERGY: 2753000 748.7555 2049.9161 1962.8647 115.7584 -206546.8938 18054.7909 0.0000 0.0000 34383.6552 -149231.1530 300.2810 -183614.8082 -149131.3072 299.2554 155.2830 188.9877 555390.9741 -11.8782 -11.9705 PRESSURE: 2753200 -339.854 94.8546 13.4688 94.8536 92.7572 1.37616 13.468 1.37551 90.4156 GPRESSURE: 2753200 -223.186 2.62381 9.35054 152.778 94.0878 38.6237 109.318 -70.3231 76.4986 PRESSAVG: 2753200 43.7153 5.43974 85.5744 5.43971 8.37594 20.2318 85.5744 20.2318 -50.276 GPRESSAVG: 2753200 43.5807 7.24381 87.3163 5.08944 7.33354 21.1076 83.9437 17.8182 -49.6581 TIMING: 2753200 CPU: 7978.7, 0.00288874/step Wall: 7978.7, 0.00288874/step, 1.8029 hours remaining, 209.406250 MB of memory in use. ENERGY: 2753200 776.0136 2117.0817 1975.8856 119.3171 -206067.5887 17799.9875 0.0000 0.0000 34417.6022 -148861.7010 300.5775 -183279.3032 -148764.1183 300.0440 -52.2270 -17.5333 557198.5207 0.6051 0.4187 PRESSURE: 2753400 -107.882 93.7919 -53.9382 93.7911 -75.8087 -21.3162 -53.9391 -21.3161 -160.461 GPRESSURE: 2753400 -43.2106 58.0746 -127.666 164.404 -90.3348 20.1556 -71.6955 -59.211 -118.278 PRESSAVG: 2753400 -13.2043 -39.2316 27.6228 -39.2316 40.67 9.39095 27.6228 9.39095 -36.6354 GPRESSAVG: 2753400 -12.8928 -39.4622 27.1592 -38.7626 41.3578 9.87568 27.027 9.35563 -37.6207 TIMING: 2753400 CPU: 7979.28, 0.00290825/step Wall: 7979.28, 0.00290825/step, 1.81491 hours remaining, 209.406250 MB of memory in use. ENERGY: 2753400 759.8446 2141.8518 1922.2455 117.9023 -205747.5787 17538.5983 0.0000 0.0000 34387.7933 -148879.3428 300.3172 -183267.1361 -148775.4811 300.1928 -114.7173 -83.9412 558531.1333 -3.0566 -3.0519 PRESSURE: 2753600 40.4986 138.834 -70.188 138.833 -42.4007 9.6396 -70.1874 9.64085 -45.3655 GPRESSURE: 2753600 87.37 32.1126 -32.6468 157.397 9.64718 -45.0363 15.1507 24.7705 -36.2132 PRESSAVG: 2753600 -27.3408 -16.8176 -0.669524 -16.8176 -14.6996 11.9982 -0.669535 11.9982 -10.9821 GPRESSAVG: 2753600 -27.1753 -16.8631 -0.441763 -18.8086 -14.8817 12.0306 0.523164 12.0743 -10.2075 TIMING: 2753600 CPU: 7979.87, 0.00293367/step Wall: 7979.87, 0.00293367/step, 1.83061 hours remaining, 209.406250 MB of memory in use. ENERGY: 2753600 762.2151 2204.2606 1954.9759 111.3934 -206249.3466 17977.3402 0.0000 0.0000 34369.9508 -148869.2105 300.1613 -183239.1614 -148779.3969 300.5211 -15.7559 20.2680 559168.7303 -17.6741 -17.4215 PRESSURE: 2753800 -132.182 -79.2933 210.724 -79.2939 -373.978 85.8738 210.725 85.8737 -171.877 GPRESSURE: 2753800 -96.9308 -136.722 207.216 -44.1217 -316.368 30.627 214.924 105.857 -173.51 PRESSAVG: 2753800 30.9174 29.0301 -4.3766 29.03 -12.9592 6.99403 -4.37661 6.99398 22.2188 GPRESSAVG: 2753800 31.9047 29.4608 -5.61463 29.5828 -13.4098 7.9161 -3.7942 7.5812 21.6879 TIMING: 2753800 CPU: 7980.46, 0.00292482/step Wall: 7980.46, 0.00292482/step, 1.82493 hours remaining, 209.406250 MB of memory in use. ENERGY: 2753800 752.2744 2146.7695 1938.5666 113.0985 -205693.0347 17536.3463 0.0000 0.0000 34291.0979 -148914.8815 299.4727 -183205.9794 -148820.8584 300.1379 -226.0128 -195.6030 558258.8764 13.3923 13.3943 PRESSURE: 2754000 -16.467 -6.29504 -81.0779 -6.29373 -244.598 -120.376 -81.0768 -120.377 -32.098 GPRESSURE: 2754000 -12.629 -28.9434 -179.896 -91.277 -218.095 -112.17 -48.1285 -126.445 33.6325 PRESSAVG: 2754000 25.0961 -7.76195 -6.05681 -7.762 -35.8477 29.9952 -6.05683 29.9952 28.2303 GPRESSAVG: 2754000 26.1336 -8.51195 -5.32835 -7.55263 -37.3717 29.0842 -6.4551 30.0852 29.367 TIMING: 2754000 CPU: 7981.03, 0.00289326/step Wall: 7981.03, 0.00289326/step, 1.80507 hours remaining, 209.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2754000 754.9736 2146.4202 1942.9992 113.4890 -206062.7568 17890.1194 0.0000 0.0000 34133.3425 -149081.4130 298.0950 -183214.7554 -148980.2242 300.5419 -97.7209 -65.6971 559507.8715 5.8262 6.0429 PRESSURE: 2754200 122.006 -79.3443 36.904 -79.345 421.275 6.03578 36.9033 6.03651 -148.981 GPRESSURE: 2754200 196.372 -63.0184 7.57186 -117.033 415.377 49.3376 59.739 -13.7171 -117.165 PRESSAVG: 2754200 59.6648 -44.9939 10.5951 -44.9938 -45.9595 -17.5092 10.5951 -17.5091 -11.3751 GPRESSAVG: 2754200 59.6939 -44.3234 10.1372 -46.6947 -46.1131 -17.6805 10.0253 -16.4405 -11.9662 TIMING: 2754200 CPU: 7981.61, 0.00290114/step Wall: 7981.61, 0.00290114/step, 1.80983 hours remaining, 209.406250 MB of memory in use. ENERGY: 2754200 726.1745 2150.0602 1956.2072 121.4756 -206250.5598 17958.1448 0.0000 0.0000 34356.3624 -148982.1350 300.0427 -183338.4975 -148880.8844 299.6935 131.4332 164.8616 558206.2348 0.7767 0.5382 PRESSURE: 2754400 45.3862 -106.657 -7.36437 -106.658 104.925 -46.8865 -7.36352 -46.8853 190.289 GPRESSURE: 2754400 108.684 -108.846 -20.7534 -138.855 76.365 1.26056 24.2588 -29.1015 259.187 PRESSAVG: 2754400 15.1057 -59.7741 64.3073 -59.7741 18.3027 11.5869 64.3073 11.587 -14.3359 GPRESSAVG: 2754400 13.9532 -61.1693 65.3619 -56.8777 19.3975 14.4481 65.2718 10.7338 -14.2825 TIMING: 2754400 CPU: 7982.19, 0.00290281/step Wall: 7982.19, 0.00290281/step, 1.81071 hours remaining, 209.406250 MB of memory in use. ENERGY: 2754400 732.2516 2110.1137 1954.8112 99.6566 -206364.9994 18039.5776 0.0000 0.0000 34365.2781 -149063.3105 300.1205 -183428.5887 -148969.8245 299.6951 113.5332 148.0787 556618.3112 6.3575 6.3561 PRESSURE: 2754600 -152.402 -80.609 -41.986 -80.6088 8.16349 28.3005 -41.9869 28.2997 -410.417 GPRESSURE: 2754600 -132.144 3.54907 -35.4221 -186.963 18.4327 -46.237 23.5613 53.8235 -333.31 PRESSAVG: 2754600 64.5067 -35.5208 22.5603 -35.5208 -39.6915 -3.26893 22.5603 -3.26886 -30.0701 GPRESSAVG: 2754600 65.4464 -34.1472 21.9222 -37.2639 -39.7421 -5.81084 21.8697 -3.24853 -30.8986 TIMING: 2754600 CPU: 7982.78, 0.00292772/step Wall: 7982.78, 0.00292772/step, 1.82609 hours remaining, 209.406250 MB of memory in use. ENERGY: 2754600 758.5880 2117.3621 1962.6805 106.3726 -206089.3458 17638.7324 0.0000 0.0000 34207.0519 -149298.5583 298.7387 -183505.6102 -149201.6326 299.5106 -184.8851 -149.0074 556922.5602 -1.7517 -1.7314 PRESSURE: 2754800 266.37 12.1803 -63.1168 12.179 -295.807 262.667 -63.1165 262.666 -99.9037 GPRESSURE: 2754800 295.488 14.8142 -111.675 13.3474 -255.062 174.853 -22.9335 208.543 -75.7592 PRESSAVG: 2754800 52.3902 -7.46148 13.0746 -7.46147 14.3072 -14.411 13.0746 -14.4111 -72.1595 GPRESSAVG: 2754800 52.0592 -8.51052 12.2668 -6.68115 13.816 -15.8724 14.4086 -15.1368 -71.5768 TIMING: 2754800 CPU: 7983.36, 0.00288986/step Wall: 7983.36, 0.00288986/step, 1.80231 hours remaining, 209.406250 MB of memory in use. ENERGY: 2754800 741.1085 2090.4703 1953.3019 123.8031 -206026.8269 17814.0307 0.0000 0.0000 34064.0768 -149240.0357 297.4901 -183304.1124 -149138.4741 298.9138 -43.1137 -11.7777 558193.0258 -1.8207 -1.9005 PRESSURE: 2755000 10.773 14.6405 113.229 14.6404 288.411 -83.6786 113.231 -83.6798 12.0715 GPRESSURE: 2755000 105.635 -17.7701 112.747 137.366 235.78 -2.74876 81.8324 -124.411 66.6686 PRESSAVG: 2755000 86.9786 31.612 -2.81274 31.6119 -89.9093 47.2666 -2.81278 47.2666 -22.1348 GPRESSAVG: 2755000 87.1982 31.8424 -2.44385 32.3536 -90.2535 49.5828 -4.92883 47.7723 -21.9032 TIMING: 2755000 CPU: 7983.94, 0.00288618/step Wall: 7983.94, 0.00288618/step, 1.79985 hours remaining, 209.406250 MB of memory in use. ENERGY: 2755000 764.1940 2158.4154 1953.3802 111.5845 -206904.1575 18302.9401 0.0000 0.0000 34557.0983 -149056.5451 301.7957 -183613.6434 -148959.7008 299.4012 103.7520 136.0277 558000.9810 -8.3552 -8.3195 PRESSURE: 2755200 -224.875 100.546 -8.15315 100.546 -156.308 64.2109 -8.15404 64.2106 -149.379 GPRESSURE: 2755200 -204.452 118.292 61.0534 -42.948 -118.861 95.8718 -27.1716 37.065 -122.576 PRESSAVG: 2755200 51.932 11.9256 25.6074 11.9256 -29.9012 -21.1587 25.6073 -21.1588 -3.42873 GPRESSAVG: 2755200 50.0765 12.3018 25.9603 12.7173 -27.8378 -20.4838 26.9219 -20.1974 -3.92187 TIMING: 2755200 CPU: 7984.52, 0.00290173/step Wall: 7984.52, 0.00290173/step, 1.80939 hours remaining, 209.406250 MB of memory in use. ENERGY: 2755200 763.5187 2141.9173 1949.2685 105.8328 -206139.0138 17612.2361 0.0000 0.0000 34272.8407 -149293.3997 299.3132 -183566.2404 -149195.5606 299.6734 -176.8541 -148.6298 557984.2577 6.2007 6.1056 PRESSURE: 2755400 218.51 -210.038 -86.1486 -210.039 420.709 142.183 -86.1496 142.184 33.0785 GPRESSURE: 2755400 315.958 -163.158 -168.983 -217.23 370.956 69.3305 -138.638 204.751 95.8565 PRESSAVG: 2755400 23.5467 57.2391 -25.1223 57.2392 18.6561 -27.436 -25.1223 -27.4359 24.5519 GPRESSAVG: 2755400 25.2928 57.9371 -23.6074 55.6842 16.9011 -31.9663 -27.1398 -28.8881 24.3091 TIMING: 2755400 CPU: 7985.09, 0.00288641/step Wall: 7985.09, 0.00288641/step, 1.79968 hours remaining, 209.406250 MB of memory in use. ENERGY: 2755400 730.5279 2080.1739 1914.5946 120.8105 -206373.7565 18071.1753 0.0000 0.0000 34277.0051 -149179.4692 299.3496 -183456.4743 -149081.9053 299.4561 224.0990 260.9235 557038.8125 22.2516 22.1677 PRESSURE: 2755600 -51.394 -56.9816 84.4814 -56.9814 -244.311 -80.1633 84.4821 -80.1645 -120.033 GPRESSURE: 2755600 -54.9833 -90.8798 98.3648 27.5042 -208.754 -32.0796 32.6792 -133.938 -68.1006 PRESSAVG: 2755600 45.3048 43.5151 -69.4006 43.515 -76.6686 -27.8248 -69.4006 -27.8249 -34.6347 GPRESSAVG: 2755600 45.2146 42.0326 -72.0812 44.5668 -77.1751 -24.8402 -67.1667 -29.1056 -34.2404 TIMING: 2755600 CPU: 7985.67, 0.002883/step Wall: 7985.67, 0.002883/step, 1.79739 hours remaining, 209.406250 MB of memory in use. ENERGY: 2755600 770.4492 2089.3003 1944.4498 123.4374 -206052.7185 17629.1350 0.0000 0.0000 34230.1327 -149265.8143 298.9403 -183495.9469 -149171.8523 299.5718 -138.5792 -110.6128 557122.1589 -21.9995 -22.0670 PRESSURE: 2755800 -142.042 212.844 16.0034 212.844 -264.663 19.9247 16.0034 19.9237 135.701 GPRESSURE: 2755800 -139.771 206.748 46.7562 241.287 -230.145 -17.0276 8.45344 -83.5704 185.728 PRESSAVG: 2755800 24.9416 35.9299 -14.3079 35.93 -29.8872 40.8943 -14.3079 40.8943 22.9933 GPRESSAVG: 2755800 24.4783 35.7634 -13.5819 36.3926 -29.6768 39.9926 -15.7833 41.5151 23.1288 TIMING: 2755800 CPU: 7986.24, 0.00286639/step Wall: 7986.24, 0.00286639/step, 1.78687 hours remaining, 209.406250 MB of memory in use. ENERGY: 2755800 711.2718 2082.0925 1930.1571 119.7654 -206039.8319 17657.7071 0.0000 0.0000 34279.5666 -149259.2715 299.3720 -183538.8381 -149155.6309 299.3992 -90.3345 -61.3962 557144.9961 6.0159 5.9768 PRESSURE: 2756000 131.843 22.6718 -90.7585 22.6714 109.021 -21.5859 -90.7579 -21.5866 63.6822 GPRESSURE: 2756000 176.988 -35.7962 -16.7522 54.3372 131.347 -40.9288 -130.403 -7.54926 85.4328 PRESSAVG: 2756000 43.9003 36.318 -52.6302 36.318 -45.1222 -10.3525 -52.6302 -10.3526 19.7632 GPRESSAVG: 2756000 44.0883 35.6168 -52.6945 35.599 -44.5992 -9.2924 -51.6458 -9.03596 19.6411 TIMING: 2756000 CPU: 7986.82, 0.00286924/step Wall: 7986.82, 0.00286924/step, 1.78849 hours remaining, 209.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2756000 738.6368 2032.9899 1952.9825 121.2550 -206524.5308 17981.5050 0.0000 0.0000 34439.3674 -149257.7942 300.7676 -183697.1616 -149163.9084 299.0360 101.5155 131.2557 556471.5745 6.1804 6.3767 PRESSURE: 2756200 -151.491 -2.60911 19.1847 -2.60844 -464.608 107.589 19.1853 107.589 215.386 GPRESSURE: 2756200 -117.324 -44.1188 43.2787 15.6439 -418.964 194.092 -55.9895 99.0729 229.472 PRESSAVG: 2756200 7.0869 -15.9359 -18.9603 -15.9359 -64.0391 3.50573 -18.9605 3.5057 21.7738 GPRESSAVG: 2756200 7.86877 -15.4119 -19.2242 -15.7623 -64.0461 3.0507 -18.6167 3.09642 21.2512 TIMING: 2756200 CPU: 7987.39, 0.00288778/step Wall: 7987.39, 0.00288778/step, 1.79989 hours remaining, 209.406250 MB of memory in use. ENERGY: 2756200 743.7968 2069.3115 1934.9158 110.5093 -205861.3572 17509.3434 0.0000 0.0000 34501.0303 -148992.4501 301.3061 -183493.4804 -148895.2950 300.2661 -133.5709 -102.2721 557699.4611 -11.7261 -11.6421 LDB: ============= START OF LOAD BALANCING ============== 7990.78 LDB: ============== END OF LOAD BALANCING =============== 7990.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7990.78 LDB: ============= START OF LOAD BALANCING ============== 7991.07 LDB: Largest compute 4820 load 0.025895 is 22.0% of average load 0.117896 LDB: Average compute 0.001750 is 1.5% of average load 0.117896 LDB: TIME 7991.08 LOAD: AVG 0.117896 MAX 0.183728 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.539 MB LDB: TIME 7991.08 LOAD: AVG 0.117896 MAX 0.183728 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.543 MB LDB: TIME 7991.08 LOAD: AVG 0.117896 MAX 0.183728 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7991.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7991.08 PRESSURE: 2756400 126.77 22.8172 176.806 22.817 -55.818 54.402 176.807 54.4039 -39.593 GPRESSURE: 2756400 124.225 -8.29494 129.522 20.2327 51.0334 -52.9463 201.369 24.5252 -35.4899 PRESSAVG: 2756400 -12.446 20.7992 35.8691 20.7992 -57.1276 -38.9427 35.869 -38.9426 -15.0302 GPRESSAVG: 2756400 -13.3349 20.9933 36.6505 21.5489 -57.0221 -37.9327 34.4409 -39.8745 -14.7444 TIMING: 2756400 CPU: 7987.99, 0.00295751/step Wall: 7987.99, 0.00295751/step, 1.84319 hours remaining, 209.257812 MB of memory in use. ENERGY: 2756400 728.1624 2077.4095 1921.7236 107.1475 -205803.4475 17755.6716 0.0000 0.0000 34497.2185 -148716.1145 301.2728 -183213.3330 -148616.0122 300.9243 10.4531 46.5894 557499.6166 -28.2013 -28.3671 PRESSURE: 2756600 -170.893 -2.65816 56.2084 -2.65753 -114.848 41.7687 56.207 41.7679 -41.5163 GPRESSURE: 2756600 -146.19 90.0628 -4.97054 -68.8317 -65.8769 -38.7247 110.576 4.70351 -21.1218 PRESSAVG: 2756600 -20.7226 -25.0711 -3.17277 -25.0711 -58.4448 27.5076 -3.17276 27.5077 90.5581 GPRESSAVG: 2756600 -19.8726 -25.491 -3.87665 -25.7484 -58.9727 25.8445 -2.78351 30.2886 89.2182 TIMING: 2756600 CPU: 7988.57, 0.00290882/step Wall: 7988.57, 0.00290882/step, 1.81268 hours remaining, 209.500000 MB of memory in use. ENERGY: 2756600 723.8707 2049.0326 1970.7719 99.2894 -205743.6148 17670.8284 0.0000 0.0000 34422.5823 -148807.2395 300.6210 -183229.8218 -148713.4333 300.2421 -109.0861 -77.7296 558519.5857 3.7969 3.4577 PRESSURE: 2756800 -33.0979 7.39424 -44.3281 7.39333 0.47038 -104.632 -44.3287 -104.634 -239.681 GPRESSURE: 2756800 38.7963 22.7124 23.6812 92.6448 15.8146 -125.703 -37.9496 -100.197 -229.802 PRESSAVG: 2756800 22.0978 -9.16416 -20.7361 -9.16411 68.1358 32.3735 -20.736 32.3735 -67.3575 GPRESSAVG: 2756800 21.7691 -7.53395 -19.3911 -9.70737 67.8801 34.3642 -21.5921 31.8549 -66.3064 TIMING: 2756800 CPU: 7989.15, 0.0028996/step Wall: 7989.15, 0.0028996/step, 1.80677 hours remaining, 209.621094 MB of memory in use. ENERGY: 2756800 772.2869 2103.8633 1937.9329 111.3461 -205973.8848 17791.9509 0.0000 0.0000 34400.7453 -148855.7594 300.4303 -183256.5047 -148752.9137 300.4223 -90.7694 -58.3972 557999.3011 7.6254 7.7809 PRESSURE: 2757000 -189.161 -52.794 112.408 -52.7943 -381.171 20.0142 112.406 20.0146 47.6071 GPRESSURE: 2757000 -124.394 -50.3637 79.2529 70.7286 -355.703 -71.0488 76.1104 83.6758 54.8799 PRESSAVG: 2757000 -13.6175 33.0309 36.8557 33.031 23.9493 25.2457 36.8556 25.2457 -35.4264 GPRESSAVG: 2757000 -13.92 33.2106 35.4725 33.1056 24.603 22.7893 38.2181 25.2401 -35.3981 TIMING: 2757000 CPU: 7989.72, 0.00287256/step Wall: 7989.72, 0.00287256/step, 1.78976 hours remaining, 209.621094 MB of memory in use. ENERGY: 2757000 747.0757 2055.7783 1930.6625 105.2401 -205446.6397 17439.8850 0.0000 0.0000 34368.3262 -148799.6719 300.1471 -183167.9982 -148705.5926 299.7385 -174.2416 -141.7390 557043.5075 -8.3649 -8.2384 PRESSURE: 2757200 -183.04 34.7203 -104.977 34.7205 -160.425 117.811 -104.976 117.811 -11.2552 GPRESSURE: 2757200 -105.732 -26.1864 -145.744 21.6867 -168.869 161.902 -82.801 103.818 27.4209 PRESSAVG: 2757200 80.9042 -7.44378 -12.2999 -7.4438 -76.9133 100.381 -12.2999 100.381 4.81502 GPRESSAVG: 2757200 81.8546 -9.73008 -12.5676 -6.17232 -77.2323 103.373 -11.7764 98.8033 4.16612 TIMING: 2757200 CPU: 7990.3, 0.00288663/step Wall: 7990.3, 0.00288663/step, 1.79837 hours remaining, 209.621094 MB of memory in use. ENERGY: 2757200 744.2008 2023.1639 1915.5404 105.3343 -205489.9241 17515.0665 0.0000 0.0000 34518.6491 -148667.9690 301.4599 -183186.6182 -148567.2291 300.4694 -118.2403 -82.3937 556617.5631 2.9353 2.9295 PRESSURE: 2757400 -54.6167 102.955 -102.958 102.953 1.00214 -109.768 -102.958 -109.766 -88.9673 GPRESSURE: 2757400 71.6171 44.5803 -183.55 74.6388 -23.2997 -44.6424 -32.6358 -38.6387 -98.3789 PRESSAVG: 2757400 82.0483 -13.0632 59.3315 -13.0632 -3.51902 48.5825 59.3315 48.5826 7.80433 GPRESSAVG: 2757400 81.7975 -12.6787 59.7072 -13.4758 -4.31845 47.7335 60.1342 47.4141 9.38563 TIMING: 2757400 CPU: 7990.88, 0.00289967/step Wall: 7990.88, 0.00289967/step, 1.80633 hours remaining, 209.621094 MB of memory in use. ENERGY: 2757400 779.3624 2071.5156 1952.3573 106.5717 -205702.6158 17676.5185 0.0000 0.0000 34554.5376 -148561.7527 301.7734 -183116.2903 -148462.1386 301.0222 -47.5273 -16.6872 556378.7849 28.7779 28.9549 PRESSURE: 2757600 217.979 39.9475 81.1467 39.9474 -52.2634 30.2796 81.1464 30.2793 -42.0729 GPRESSURE: 2757600 240.286 141.957 149.049 7.52994 -3.36348 51.2612 -2.58356 -10.3463 -16.0805 PRESSAVG: 2757600 3.31929 10.7362 47.04 10.7364 21.7282 33.2925 47.0401 33.2925 3.26442 GPRESSAVG: 2757600 4.13361 12.4235 47.4 9.81061 22.0494 31.9311 44.7932 35.587 1.53042 TIMING: 2757600 CPU: 7991.46, 0.00289442/step Wall: 7991.46, 0.00289442/step, 1.8029 hours remaining, 209.621094 MB of memory in use. ENERGY: 2757600 740.0717 2149.5713 1939.4474 106.7094 -205854.8756 17828.1584 0.0000 0.0000 34574.3972 -148516.5202 301.9468 -183090.9174 -148411.1823 301.2673 41.2143 73.6139 557213.6497 9.4373 9.2378 PRESSURE: 2757800 -245.602 -111.598 130.7 -111.598 18.9845 -97.1998 130.7 -97.2016 -277.712 GPRESSURE: 2757800 -212.321 -72.1295 113.549 -125.884 25.1092 -71.5755 40.5083 -137.477 -210.562 PRESSAVG: 2757800 -48.6635 -31.9132 44.9834 -31.9132 52.8001 8.66697 44.9834 8.66695 24.9078 GPRESSAVG: 2757800 -49.4877 -34.4231 43.5319 -30.9545 53.1258 9.32497 46.4654 6.63963 25.6059 TIMING: 2757800 CPU: 7992.04, 0.00290929/step Wall: 7992.04, 0.00290929/step, 1.812 hours remaining, 209.621094 MB of memory in use. ENERGY: 2757800 765.8663 2154.6725 1930.8084 117.1058 -205656.6331 17548.8567 0.0000 0.0000 34466.1965 -148673.1269 301.0019 -183139.3234 -148576.7086 300.7351 -168.1099 -132.5914 557828.8213 9.6815 9.7480 PRESSURE: 2758000 132.653 -3.80598 84.9916 -3.8059 80.4422 -119.729 84.9923 -119.729 -129.451 GPRESSURE: 2758000 170.761 72.5433 28.0492 -40.1012 132.805 -105.2 152.908 -87.8205 -122.254 PRESSAVG: 2758000 28.3434 -40.5034 29.0544 -40.5034 34.649 2.89724 29.0543 2.89728 -18.401 GPRESSAVG: 2758000 29.0298 -37.5141 29.621 -41.5482 34.319 3.4617 29.7923 3.78641 -18.8829 TIMING: 2758000 CPU: 7992.62, 0.00291655/step Wall: 7992.62, 0.00291655/step, 1.81636 hours remaining, 209.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2758000 726.5838 2064.8884 1958.0611 98.4766 -205555.9480 17626.6539 0.0000 0.0000 34454.6319 -148626.6522 300.9009 -183081.2842 -148533.2785 300.3761 27.8814 60.4373 557253.2615 14.8638 14.8220 PRESSURE: 2758200 47.0898 41.5229 206.624 41.5234 -135.146 -9.69397 206.625 -9.69425 -118.98 GPRESSURE: 2758200 52.1491 44.8581 223.106 28.6546 -107.772 -28.3305 165.224 -6.41448 -60.6556 PRESSAVG: 2758200 15.7209 1.21775 -8.50013 1.21765 -3.94303 48.6441 -8.50008 48.6442 -17.4616 GPRESSAVG: 2758200 15.4355 -0.67459 -9.26536 -0.0640387 -3.62871 49.2522 -10.0103 49.5568 -16.6162 TIMING: 2758200 CPU: 7993.21, 0.00292397/step Wall: 7993.21, 0.00292397/step, 1.82082 hours remaining, 209.621094 MB of memory in use. ENERGY: 2758200 718.6080 2125.3607 1977.3092 115.2523 -205733.9848 17688.9603 0.0000 0.0000 34487.6428 -148620.8514 301.1892 -183108.4942 -148518.2462 301.1080 -69.0120 -38.7595 558974.1632 -1.8946 -1.6031 PRESSURE: 2758400 -271.39 52.5685 142.035 52.57 -159.398 -25.537 142.035 -25.5388 -137.038 GPRESSURE: 2758400 -246.527 103.444 97.1826 35.0934 -140.592 -107.974 120.276 -23.7896 -88.2587 PRESSAVG: 2758400 -78.8055 -12.6661 58.4085 -12.6661 41.2371 -3.48816 58.4086 -3.48817 24.0426 GPRESSAVG: 2758400 -79.2596 -10.7849 59.0052 -10.6493 40.9905 -5.752 58.1073 -3.43968 24.4889 TIMING: 2758400 CPU: 7993.79, 0.00290547/step Wall: 7993.79, 0.00290547/step, 1.80914 hours remaining, 209.621094 MB of memory in use. ENERGY: 2758400 742.0136 2124.6530 1947.7200 117.1572 -205486.5609 17461.6189 0.0000 0.0000 34465.3809 -148628.0174 300.9947 -183093.3982 -148531.6893 301.4743 -189.2753 -158.4592 557609.5994 -4.5086 -4.5934 PRESSURE: 2758600 -116.457 -83.0971 50.9878 -83.098 -140.857 96.4436 50.9883 96.4432 60.3703 GPRESSURE: 2758600 -72.9203 -87.8387 83.3371 -49.7359 -60.276 65.0557 -17.9644 35.2639 26.4521 PRESSAVG: 2758600 -8.38025 -21.0383 58.1299 -21.0384 2.18665 -8.3761 58.1299 -8.37602 14.562 GPRESSAVG: 2758600 -7.56877 -20.9301 58.8596 -21.2473 2.80603 -7.06869 57.6709 -8.54408 13.4883 TIMING: 2758600 CPU: 7994.38, 0.00293952/step Wall: 7994.38, 0.00293952/step, 1.83018 hours remaining, 209.621094 MB of memory in use. ENERGY: 2758600 790.6065 2146.8287 1966.5534 108.0501 -205938.9105 17803.6414 0.0000 0.0000 34420.5229 -148702.7074 300.6030 -183123.2303 -148606.6076 300.5784 -65.6480 -35.5814 557637.6925 2.7895 2.9085 PRESSURE: 2758800 -215.155 -66.1348 21.0668 -66.1337 -6.83351 66.2409 21.0667 66.2415 -29.457 GPRESSURE: 2758800 -230.516 -97.7689 25.1414 -60.8777 66.8573 83.8098 88.593 100.219 1.61969 PRESSAVG: 2758800 -0.626 -19.7984 1.13598 -19.7984 24.1631 49.6125 1.13602 49.6125 -27.2939 GPRESSAVG: 2758800 -1.70127 -22.376 -0.0737672 -17.6217 24.0293 50.7119 2.11973 49.1086 -26.1218 TIMING: 2758800 CPU: 7994.96, 0.00291148/step Wall: 7994.96, 0.00291148/step, 1.81256 hours remaining, 209.621094 MB of memory in use. ENERGY: 2758800 762.9396 2092.3639 1941.9750 109.9596 -205451.7176 17335.5726 0.0000 0.0000 34462.8216 -148746.0854 300.9724 -183208.9069 -148652.6806 300.5110 -83.8151 -54.0129 556741.9397 -1.2523 -1.2646 PRESSURE: 2759000 -266.885 37.4826 -147.369 37.4831 -131.266 61.9292 -147.368 61.9287 141.445 GPRESSURE: 2759000 -207.127 33.3502 -115.715 -2.69938 -86.2169 25.812 -128.925 10.3042 123.794 PRESSAVG: 2759000 -2.98885 -73.7709 46.5997 -73.7709 -7.62738 75.6932 46.5997 75.6932 40.7946 GPRESSAVG: 2759000 -2.67121 -70.9152 48.2586 -77.8848 -7.28343 75.2332 45.8777 74.9447 40.2759 TIMING: 2759000 CPU: 7995.54, 0.00291215/step Wall: 7995.54, 0.00291215/step, 1.81282 hours remaining, 209.621094 MB of memory in use. ENERGY: 2759000 723.4520 2100.8844 1918.6256 116.8987 -205347.5867 17410.9183 0.0000 0.0000 34194.3391 -148882.4686 298.6277 -183076.8077 -148782.1985 300.5523 -85.5688 -56.5165 557948.1335 10.0595 10.1071 PRESSURE: 2759200 -3.46646 -52.2052 10.3839 -52.2034 -73.5332 46.4192 10.3825 46.4171 -80.4488 GPRESSURE: 2759200 10.8068 -110.928 -71.754 -56.1527 49.2918 167.177 -14.4618 6.97656 -110.616 PRESSAVG: 2759200 -22.6236 -79.5324 51.2137 -79.5324 -0.491877 43.8486 51.2137 43.8485 26.6797 GPRESSAVG: 2759200 -22.6507 -82.0769 48.7502 -76.5545 0.0909669 44.6997 53.3111 46.6182 26.2291 TIMING: 2759200 CPU: 7996.12, 0.00290669/step Wall: 7996.12, 0.00290669/step, 1.80926 hours remaining, 209.621094 MB of memory in use. ENERGY: 2759200 702.2898 2086.6957 1933.6954 121.2592 -205775.5651 17614.4012 0.0000 0.0000 34394.2481 -148922.9757 300.3735 -183317.2238 -148827.9292 299.7855 -52.4828 -16.8391 558113.8144 1.1881 1.2231 PRESSURE: 2759400 59.6063 115.844 -58.382 115.846 173.427 -9.64468 -58.3823 -9.64774 64.3481 GPRESSURE: 2759400 100.541 22.2151 -51.3718 78.0393 228.286 -8.00854 -10.5148 -36.9908 60.8058 PRESSAVG: 2759400 26.8855 -10.8189 -21.6881 -10.819 -4.84831 -55.1836 -21.6882 -55.1838 -11.4492 GPRESSAVG: 2759400 27.7942 -11.8114 -19.3899 -9.22232 -5.76907 -54.3164 -25.2967 -56.8654 -11.0942 TIMING: 2759400 CPU: 7996.7, 0.00290455/step Wall: 7996.7, 0.00290455/step, 1.80776 hours remaining, 209.621094 MB of memory in use. ENERGY: 2759400 760.8975 2147.4923 1948.7086 112.0497 -206212.8494 18036.9105 0.0000 0.0000 34102.3587 -149104.4322 297.8244 -183206.7909 -149002.6442 299.4836 99.1273 129.8774 558211.2820 3.5293 3.6436 PRESSURE: 2759600 41.0384 74.8031 -64.2238 74.8026 109.884 160.284 -64.2239 160.286 343.946 GPRESSURE: 2759600 68.2073 72.3211 -10.9042 152.46 115.272 139.365 -75.778 124.882 410.617 PRESSAVG: 2759600 -61.1103 8.30326 -33.7263 8.3032 -35.5288 4.57948 -33.7262 4.57947 80.598 GPRESSAVG: 2759600 -61.6776 10.1106 -32.3034 8.09533 -35.7444 4.03773 -33.0678 3.79706 81.7872 TIMING: 2759600 CPU: 7997.29, 0.00292124/step Wall: 7997.29, 0.00292124/step, 1.81799 hours remaining, 209.621094 MB of memory in use. ENERGY: 2759600 725.4445 2067.7878 1973.9913 107.5881 -206233.6031 17980.0647 0.0000 0.0000 34423.8362 -148954.8904 300.6319 -183378.7266 -148866.8427 299.6911 164.9560 198.0321 558209.9479 -5.3470 -5.2116 PRESSURE: 2759800 -228.266 39.8125 -157.427 39.8134 -198.303 192.338 -157.427 192.337 -116.264 GPRESSURE: 2759800 -208.698 55.8936 -134.98 63.3168 -157.312 192.185 -119.113 174.663 -57.9549 PRESSAVG: 2759800 -2.22798 26.746 -3.47146 26.746 -65.3849 27.7162 -3.47139 27.7161 22.1725 GPRESSAVG: 2759800 -2.3758 29.962 -6.14 23.116 -65.235 26.7177 0.0574003 28.4284 22.1534 TIMING: 2759800 CPU: 7997.87, 0.00292572/step Wall: 7997.87, 0.00292572/step, 1.82061 hours remaining, 209.621094 MB of memory in use. ENERGY: 2759800 712.3827 2083.4703 1958.1174 110.1337 -205771.8162 17536.3487 0.0000 0.0000 34465.1491 -148906.2143 300.9927 -183371.3634 -148803.1272 299.8581 -180.9446 -141.3214 559532.0788 -15.1468 -15.1525 PRESSURE: 2760000 -42.4812 132.05 -69.9027 132.051 3.23631 -74.7687 -69.9045 -74.7678 -77.8778 GPRESSURE: 2760000 -48.103 96.7661 -82.3865 123.358 51.4671 -1.72383 -56.8301 -95.0123 -23.4588 PRESSAVG: 2760000 -18.7066 -7.5468 -34.7706 -7.54693 4.89254 30.4169 -34.7706 30.417 71.9704 GPRESSAVG: 2760000 -18.9867 -9.76015 -32.9218 -5.68759 5.27371 29.1626 -38.8405 29.3854 71.5629 TIMING: 2760000 CPU: 7998.46, 0.00291144/step Wall: 7998.46, 0.00291144/step, 1.81156 hours remaining, 209.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2760000 732.2068 2083.1368 1911.6742 122.5920 -205996.3607 17749.8532 0.0000 0.0000 34300.7526 -149096.1452 299.5570 -183396.8978 -149004.5982 299.6129 -39.0409 -6.6983 560114.2788 19.3855 19.2833 PRESSURE: 2760200 -35.2117 -133.202 230.345 -133.203 85.6161 -43.4762 230.345 -43.4763 -254.768 GPRESSURE: 2760200 2.725 -90.7131 165.699 -166.516 117.119 -60.0905 153.613 -56.5463 -221.291 PRESSAVG: 2760200 17.141 -29.3489 17.3502 -29.3489 40.3362 0.21714 17.3502 0.217171 -75.1982 GPRESSAVG: 2760200 17.5424 -30.7854 16.8313 -30.0762 39.8133 2.0991 18.2569 -0.0982129 -75.123 TIMING: 2760200 CPU: 7999.04, 0.00290342/step Wall: 7999.04, 0.00290342/step, 1.80641 hours remaining, 209.621094 MB of memory in use. ENERGY: 2760200 783.7144 2044.8603 1947.3062 118.8533 -206131.6543 17840.8172 0.0000 0.0000 34245.1798 -149150.9230 299.0717 -183396.1028 -149054.0182 298.9669 -68.1212 -33.8156 560187.6336 -5.9070 -5.9224 LDB: ============= START OF LOAD BALANCING ============== 8002.42 LDB: ============== END OF LOAD BALANCING =============== 8002.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8002.42 LDB: ============= START OF LOAD BALANCING ============== 8002.71 LDB: Largest compute 4820 load 0.025690 is 21.8% of average load 0.117866 LDB: Average compute 0.001749 is 1.5% of average load 0.117866 LDB: TIME 8002.72 LOAD: AVG 0.117866 MAX 0.180239 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.234 MB LDB: TIME 8002.72 LOAD: AVG 0.117866 MAX 0.180239 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: TIME 8002.72 LOAD: AVG 0.117866 MAX 0.180239 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8002.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8002.72 PRESSURE: 2760400 -157.107 37.5981 24.8433 37.5969 -285.235 -17.8365 24.8435 -17.8369 23.0557 GPRESSURE: 2760400 -142.833 13.2095 -25.7838 62.7958 -194.828 1.88325 69.4983 -32.9183 9.92008 PRESSAVG: 2760400 -11.2632 10.6418 -6.83929 10.6419 -19.0666 55.8936 -6.83932 55.8935 17.0896 GPRESSAVG: 2760400 -10.5405 10.4324 -6.86026 13.2004 -19.6191 53.8052 -5.53946 58.9302 16.4241 TIMING: 2760400 CPU: 7999.63, 0.00294827/step Wall: 7999.63, 0.00294827/step, 1.83415 hours remaining, 209.265625 MB of memory in use. ENERGY: 2760400 742.9360 2052.6096 1954.7080 91.9691 -205748.1494 17684.1330 0.0000 0.0000 34189.8970 -149031.8968 298.5889 -183221.7939 -148926.3072 299.9324 -139.7622 -109.2470 558604.1702 -4.4134 -4.5785 PRESSURE: 2760600 242.795 144.792 164.721 144.794 -44.6215 -33.8262 164.721 -33.8266 100.125 GPRESSURE: 2760600 293.115 159.668 186.415 168.523 -55.1817 -66.2594 141.723 11.9209 154.291 PRESSAVG: 2760600 -17.9295 23.4508 55.9242 23.4509 58.6506 12.889 55.9242 12.889 6.7591 GPRESSAVG: 2760600 -19.2063 24.7996 53.8262 23.4225 58.22 15.9961 56.06 10.8865 8.57219 TIMING: 2760600 CPU: 8000.21, 0.00289774/step Wall: 8000.21, 0.00289774/step, 1.80256 hours remaining, 209.335938 MB of memory in use. ENERGY: 2760600 742.1744 2108.2219 1937.1954 110.6217 -206200.8053 17985.7906 0.0000 0.0000 34452.2792 -148864.5221 300.8803 -183316.8013 -148774.5492 299.9152 99.4330 130.7415 559010.2278 15.8268 15.8620 PRESSURE: 2760800 -241.323 -63.393 114.292 -63.3938 -109.427 -132.309 114.293 -132.31 -256.975 GPRESSURE: 2760800 -191.042 -39.7982 92.3009 -49.56 -83.4609 -241.185 105.538 -43.3657 -241.051 PRESSAVG: 2760800 -2.54081 18.4592 -24.9687 18.4591 23.9957 -38.7528 -24.9687 -38.7528 2.9986 GPRESSAVG: 2760800 -3.50505 17.367 -24.034 17.5925 25.3758 -41.5047 -24.3096 -37.5366 2.4172 TIMING: 2760800 CPU: 8000.78, 0.0028906/step Wall: 8000.78, 0.0028906/step, 1.79795 hours remaining, 209.335938 MB of memory in use. ENERGY: 2760800 762.9356 2126.1518 1935.6207 112.0098 -205720.8632 17619.7466 0.0000 0.0000 34312.6054 -148851.7933 299.6605 -183164.3987 -148755.8707 299.8698 -202.5750 -171.8513 560249.0211 8.1512 8.0960 PRESSURE: 2761000 173.292 37.8735 -42.8891 37.8729 402.384 29.188 -42.8878 29.1882 -48.185 GPRESSURE: 2761000 144.535 34.7917 -110.96 33.3687 432.496 91.1681 -41.0367 18.2626 49.2266 PRESSAVG: 2761000 -21.747 -25.2281 -2.65407 -25.228 52.3261 -8.18787 -2.65401 -8.18793 -23.2911 GPRESSAVG: 2761000 -20.6108 -23.2948 -1.70252 -27.5061 51.7953 -6.84169 -5.3591 -10.2766 -23.1797 TIMING: 2761000 CPU: 8001.36, 0.00289571/step Wall: 8001.36, 0.00289571/step, 1.80097 hours remaining, 209.335938 MB of memory in use. ENERGY: 2761000 755.6820 2103.9911 1962.0897 116.3103 -206229.4478 17978.7545 0.0000 0.0000 34244.4056 -149068.2146 299.0649 -183312.6202 -148973.7659 300.1868 175.8302 208.7527 556704.6875 2.4293 2.6683 PRESSURE: 2761200 -29.0919 -167.029 109.893 -167.028 91.7514 13.3119 109.893 13.313 217.895 GPRESSURE: 2761200 19.7772 -167.7 106.34 -96.5925 100.962 11.9871 68.8235 -78.6089 258.339 PRESSAVG: 2761200 44.708 -30.8667 0.363525 -30.8666 -68.4984 -13.9236 0.363533 -13.9237 -12.926 GPRESSAVG: 2761200 46.1192 -30.2471 0.556268 -30.1302 -68.8822 -13.2853 0.695818 -14.5299 -14.1332 TIMING: 2761200 CPU: 8001.94, 0.00288544/step Wall: 8001.94, 0.00288544/step, 1.79442 hours remaining, 209.335938 MB of memory in use. ENERGY: 2761200 713.1088 2086.0491 1968.8672 109.9557 -206163.5226 17887.0230 0.0000 0.0000 34320.9367 -149077.5820 299.7333 -183398.5187 -148981.3324 300.5850 93.5182 126.3592 558406.0340 -12.2388 -12.2987 PRESSURE: 2761400 53.0256 -70.7245 4.66081 -70.7248 -60.3096 -23.2073 4.66199 -23.2055 -278.941 GPRESSURE: 2761400 110.597 -72.0711 -50.8039 -87.2419 -46.4859 -66.854 111.097 76.8598 -260.735 PRESSAVG: 2761400 50.3666 -64.7172 7.94867 -64.7171 -46.3238 -30.7043 7.94865 -30.7043 1.32004 GPRESSAVG: 2761400 49.0396 -65.6885 7.61609 -64.6452 -45.8512 -30.7833 10.8575 -30.4923 1.80281 TIMING: 2761400 CPU: 8002.52, 0.00288062/step Wall: 8002.52, 0.00288062/step, 1.79126 hours remaining, 209.335938 MB of memory in use. ENERGY: 2761400 759.5180 2100.5780 1942.2836 107.1054 -205858.2486 17702.2332 0.0000 0.0000 34209.2528 -149037.2776 298.7579 -183246.5304 -148942.2554 298.9036 -95.4084 -65.5414 558555.6827 1.7876 1.6637 PRESSURE: 2761600 -14.0569 -79.865 45.4269 -79.8642 -207.812 175.37 45.4279 175.371 -240.795 GPRESSURE: 2761600 -30.3016 -101.516 2.9923 -109.422 -152.607 111.68 96.9154 284.709 -187.41 PRESSAVG: 2761600 57.1168 -32.1811 11.486 -32.181 38.5057 -25.8606 11.4861 -25.8606 -142.139 GPRESSAVG: 2761600 56.0736 -32.8702 11.103 -29.8006 38.4348 -26.109 7.42943 -23.0909 -141.242 TIMING: 2761600 CPU: 8003.09, 0.00288659/step Wall: 8003.09, 0.00288659/step, 1.79482 hours remaining, 209.335938 MB of memory in use. ENERGY: 2761600 755.5434 2104.8771 1947.8923 115.7710 -206030.3706 17814.1199 0.0000 0.0000 34242.0254 -149050.1415 299.0441 -183292.1669 -148952.3859 299.5646 -154.2212 -123.4393 559349.4613 -15.5055 -15.5778 PRESSURE: 2761800 5.20608 60.637 17.8997 60.6373 135.552 83.3715 17.8991 83.3708 -149.792 GPRESSURE: 2761800 43.6089 75.195 -32.4715 49.483 170.668 96.9503 47.5371 41.082 -126.197 PRESSAVG: 2761800 31.0119 -44.2252 -23.5776 -44.2251 46.8069 1.35799 -23.5775 1.35791 -20.0901 GPRESSAVG: 2761800 32.8016 -45.1699 -22.8003 -46.1981 46.1725 0.236355 -23.2603 -0.817022 -21.3569 TIMING: 2761800 CPU: 8003.67, 0.00290303/step Wall: 8003.67, 0.00290303/step, 1.80488 hours remaining, 209.335938 MB of memory in use. ENERGY: 2761800 763.8851 2098.6497 1927.6592 115.5133 -205917.9689 17751.0161 0.0000 0.0000 34091.6754 -149169.5701 297.7311 -183261.2455 -149079.8832 299.1675 -3.0113 29.3600 557752.8289 19.2429 19.2057 PRESSURE: 2762000 1.80212 -94.8711 -58.8149 -94.8702 240.448 -33.3925 -58.8145 -33.3928 141.928 GPRESSURE: 2762000 26.5103 -128.707 -37.0269 -118.54 310.817 3.02725 -33.5219 -2.40756 145.581 PRESSAVG: 2762000 94.5414 -46.2479 -24.5614 -46.2479 -16.7233 -9.08149 -24.5615 -9.08144 -82.1211 GPRESSAVG: 2762000 92.2232 -45.8201 -24.2086 -44.4932 -14.6038 -7.77268 -23.1823 -11.1321 -82.6194 TIMING: 2762000 CPU: 8004.25, 0.00290186/step Wall: 8004.25, 0.00290186/step, 1.80399 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2762000 719.5494 2144.5287 1950.0895 130.0766 -206626.7390 18062.2140 0.0000 0.0000 34415.1364 -149205.1443 300.5559 -183620.2807 -149111.2517 299.5568 128.0594 160.9694 557168.5958 -1.4343 -1.6667 PRESSURE: 2762200 -228.67 -261.329 20.8004 -261.329 -120.95 -63.9533 20.8011 -63.9537 -89.8015 GPRESSURE: 2762200 -165.782 -291.61 75.5006 -322.898 -98.5875 -22.0572 20.1937 -72.0276 -74.7992 PRESSAVG: 2762200 6.10989 -56.1489 17.2253 -56.149 18.2926 -18.2716 17.2253 -18.2716 -30.1025 GPRESSAVG: 2762200 7.5158 -55.2321 16.9467 -58.2121 16.2105 -20.2832 17.7658 -14.9086 -29.158 TIMING: 2762200 CPU: 8004.83, 0.002878/step Wall: 8004.83, 0.002878/step, 1.789 hours remaining, 209.335938 MB of memory in use. ENERGY: 2762200 781.7141 2085.7726 1946.7235 101.7245 -206211.0092 17660.7515 0.0000 0.0000 34219.0092 -149415.3137 298.8431 -183634.3229 -149324.4187 298.4637 -146.4740 -113.0563 557370.1816 -1.9000 -1.8106 PRESSURE: 2762400 145.776 -66.0409 20.9384 -66.0423 42.5584 -36.2642 20.9375 -36.2658 72.6654 GPRESSURE: 2762400 156.615 21.6897 79.4976 -109.227 89.9042 1.4953 -34.0603 -19.029 94.451 PRESSAVG: 2762400 27.7157 -45.2629 2.75029 -45.2629 23.314 47.0043 2.7502 47.0043 -21.3861 GPRESSAVG: 2762400 26.5373 -44.8991 2.76972 -45.935 24.1529 47.7045 2.23727 47.7226 -21.1269 TIMING: 2762400 CPU: 8005.41, 0.00290466/step Wall: 8005.41, 0.00290466/step, 1.80541 hours remaining, 209.335938 MB of memory in use. ENERGY: 2762400 738.9190 2074.6977 1954.9408 112.6724 -206192.9760 17732.1023 0.0000 0.0000 34257.9390 -149321.7047 299.1831 -183579.6437 -149231.9840 298.3099 87.0001 113.6567 555967.5595 9.8812 9.8544 PRESSURE: 2762600 222.594 44.6551 -20.1762 44.6537 159.568 -17.783 -20.1761 -17.7826 -33.9967 GPRESSURE: 2762600 270.105 8.30085 53.4918 -0.900611 177.995 2.07604 -46.2853 16.0701 2.17329 PRESSAVG: 2762600 51.2065 13.6488 -14.6635 13.6488 -51.7898 34.2841 -14.6636 34.2842 27.2388 GPRESSAVG: 2762600 52.2479 12.9815 -15.217 16.4365 -52.2428 33.3638 -15.349 32.3884 25.9987 TIMING: 2762600 CPU: 8006, 0.00293811/step Wall: 8006, 0.00293811/step, 1.82603 hours remaining, 209.335938 MB of memory in use. ENERGY: 2762600 715.4149 2073.2591 1933.3091 120.0239 -206415.7790 18026.7086 0.0000 0.0000 34273.5117 -149273.5517 299.3191 -183547.0634 -149175.7296 299.5322 116.0552 150.0910 558332.1373 8.8852 8.6680 PRESSURE: 2762800 172.992 -61.6616 -62.161 -61.6608 298.169 3.99768 -62.1603 3.99869 223.085 GPRESSURE: 2762800 227.548 -58.3742 -88.3482 -73.0861 310.301 85.2675 -18.3204 -50.4169 254.924 PRESSAVG: 2762800 -25.0293 20.2598 -62.3299 20.2598 -35.6171 30.802 -62.3297 30.8021 33.7026 GPRESSAVG: 2762800 -25.5355 22.3436 -62.731 18.5987 -36.4562 32.8184 -59.3532 29.6066 34.9054 TIMING: 2762800 CPU: 8006.58, 0.00289737/step Wall: 8006.58, 0.00289737/step, 1.80055 hours remaining, 209.335938 MB of memory in use. ENERGY: 2762800 755.0687 2111.2198 1938.1589 117.7490 -206808.1697 18171.4541 0.0000 0.0000 34297.0535 -149417.4657 299.5247 -183714.5192 -149326.3342 298.9211 231.4152 264.2575 557882.6476 -8.9813 -9.0288 PRESSURE: 2763000 -110.718 66.2392 1.8703 66.2385 -120.808 -31.5326 1.87053 -31.534 -71.4691 GPRESSURE: 2763000 -47.2121 3.98793 34.5082 35.6539 -89.1865 27.788 8.53007 -84.8968 -71.127 PRESSAVG: 2763000 52.2731 -4.76233 -15.5042 -4.76234 -66.9982 -16.6419 -15.5041 -16.642 36.5249 GPRESSAVG: 2763000 52.6601 -7.17914 -14.4382 -5.50961 -66.5742 -16.2163 -16.9639 -16.5308 35.2164 TIMING: 2763000 CPU: 8007.16, 0.00290646/step Wall: 8007.16, 0.00290646/step, 1.80604 hours remaining, 209.335938 MB of memory in use. ENERGY: 2763000 729.9907 2104.3817 1955.7571 115.0260 -206050.2977 17777.6798 0.0000 0.0000 34017.4716 -149349.9908 297.0830 -183367.4624 -149248.4589 299.0255 -100.9983 -69.1752 559590.7909 7.2666 7.1008 PRESSURE: 2763200 53.5703 -92.9021 45.3683 -92.9008 95.6657 245.452 45.3686 245.451 -153.143 GPRESSURE: 2763200 161.53 -115.48 104.573 -134.204 52.8917 312.989 130.664 225.26 -132.163 PRESSAVG: 2763200 -33.6646 -94.4074 -0.24846 -94.4073 39.0196 20.0782 -0.248487 20.0784 -11.2055 GPRESSAVG: 2763200 -32.5226 -93.9532 0.0313499 -93.8515 37.1407 18.5189 -0.129413 21.2709 -10.9231 TIMING: 2763200 CPU: 8007.74, 0.0029213/step Wall: 8007.74, 0.0029213/step, 1.8151 hours remaining, 209.335938 MB of memory in use. ENERGY: 2763200 734.1755 2090.3783 1956.1719 129.2471 -206173.2971 17748.9321 0.0000 0.0000 34266.6199 -149247.7723 299.2589 -183514.3921 -149150.4692 299.3406 -1.3024 27.4198 556723.2293 -1.9502 -2.1017 PRESSURE: 2763400 -24.1596 30.4202 -86.048 30.4196 61.791 -5.80198 -86.0481 -5.80198 -274.782 GPRESSURE: 2763400 24.6516 110.001 -121.613 -39.282 103.033 -37.6367 -46.5803 -31.4798 -260.309 PRESSAVG: 2763400 71.9329 -25.1324 -23.5815 -25.1324 71.5561 11.0894 -23.5814 11.0894 -133.326 GPRESSAVG: 2763400 71.2557 -26.0553 -24.9901 -24.4983 72.1965 12.78 -24.6238 10.4737 -133.414 TIMING: 2763400 CPU: 8008.32, 0.0029048/step Wall: 8008.32, 0.0029048/step, 1.80469 hours remaining, 209.335938 MB of memory in use. ENERGY: 2763400 729.7111 2110.8697 1954.4496 120.3107 -205955.6837 17664.4800 0.0000 0.0000 34192.6857 -149183.1769 298.6132 -183375.8626 -149085.2698 299.5845 -79.0502 -44.2080 557982.8150 3.3877 3.3461 PRESSURE: 2763600 -154.134 59.1513 -11.1719 59.1508 39.5462 -11.5619 -11.1719 -11.5612 -17.6939 GPRESSURE: 2763600 -142.379 53.1716 -17.2433 79.8393 73.6637 63.0599 -21.7345 -66.3845 33.365 PRESSAVG: 2763600 12.4853 62.9051 29.2555 62.9052 -9.26207 3.93465 29.2556 3.93468 -35.0871 GPRESSAVG: 2763600 11.1315 62.3093 29.2705 65.3577 -7.88175 2.58453 29.0559 3.98874 -34.7846 TIMING: 2763600 CPU: 8008.91, 0.00291539/step Wall: 8008.91, 0.00291539/step, 1.8111 hours remaining, 209.335938 MB of memory in use. ENERGY: 2763600 749.7364 2139.6041 1971.3927 116.6075 -206178.5841 17867.6882 0.0000 0.0000 34207.7638 -149125.7913 298.7449 -183333.5551 -149032.5271 299.0452 -44.0938 -11.7834 558793.8818 -10.6213 -10.5116 PRESSURE: 2763800 -60.4664 97.6749 35.0985 97.674 -39.1625 114.119 35.0977 114.12 -152.555 GPRESSURE: 2763800 -93.4687 121.006 81.9368 65.6465 45.3156 77.3612 -24.8198 70.025 -100.667 PRESSAVG: 2763800 -0.247322 36.2106 4.65369 36.2106 24.9326 23.4928 4.65369 23.4929 -26.5944 GPRESSAVG: 2763800 -0.706141 37.5993 4.02125 34.272 25.5627 24.1465 5.51465 22.5841 -26.9456 TIMING: 2763800 CPU: 8009.48, 0.00288512/step Wall: 8009.48, 0.00288512/step, 1.79214 hours remaining, 209.335938 MB of memory in use. ENERGY: 2763800 782.8117 2196.3737 1952.7746 118.0303 -206246.7105 17776.9412 0.0000 0.0000 34429.1441 -148990.6349 300.6783 -183419.7790 -148895.2435 299.9607 -84.0613 -49.6067 558380.8619 -0.6364 -0.6963 PRESSURE: 2764000 -122.38 111.988 173.225 111.987 -13.7914 -117.635 173.225 -117.635 -2.07243 GPRESSURE: 2764000 -52.6596 98.7134 215.257 147.521 19.902 -117.217 191.511 -51.2846 -10.6155 PRESSAVG: 2764000 -25.7462 17.0002 50.4422 17.0002 31.3109 44.7986 50.4422 44.7986 2.12448 GPRESSAVG: 2764000 -23.8396 16.1033 53.072 17.0369 29.3059 42.8003 50.911 46.9986 2.09095 TIMING: 2764000 CPU: 8010.06, 0.00289271/step Wall: 8010.06, 0.00289271/step, 1.7967 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2764000 717.5065 2085.0513 1971.3301 98.8064 -206168.8409 17707.2969 0.0000 0.0000 34492.9156 -149095.9341 301.2352 -183588.8497 -148995.9251 300.1678 -46.0812 -14.4577 557855.9516 2.5631 2.5191 PRESSURE: 2764200 106.875 -27.0204 -5.30232 -27.0184 -104.607 294.804 -5.30124 294.803 -164.89 GPRESSURE: 2764200 101.618 -75.8164 -35.8386 -37.386 -78.4363 138.66 3.03574 341.49 -83.2184 PRESSAVG: 2764200 -49.1516 -22.4158 26.2783 -22.4158 18.7668 34.6213 26.2783 34.6213 17.9362 GPRESSAVG: 2764200 -51.0231 -23.1715 25.5268 -22.525 19.1232 35.6825 25.1929 31.2923 19.3096 TIMING: 2764200 CPU: 8010.64, 0.0028948/step Wall: 8010.64, 0.0028948/step, 1.79783 hours remaining, 209.335938 MB of memory in use. ENERGY: 2764200 754.5679 2146.1680 1934.7796 122.8688 -206094.3426 17845.1339 0.0000 0.0000 34108.1552 -149182.6692 297.8750 -183290.8244 -149082.9576 300.3634 -54.2071 -20.0121 558226.9788 -4.1495 -4.1968 LDB: ============= START OF LOAD BALANCING ============== 8014.03 LDB: ============== END OF LOAD BALANCING =============== 8014.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8014.03 LDB: ============= START OF LOAD BALANCING ============== 8014.32 LDB: Largest compute 4800 load 0.027784 is 23.6% of average load 0.117864 LDB: Average compute 0.001762 is 1.5% of average load 0.117864 LDB: TIME 8014.32 LOAD: AVG 0.117864 MAX 0.180263 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.492 MB LDB: TIME 8014.32 LOAD: AVG 0.117864 MAX 0.180263 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.492 MB LDB: TIME 8014.32 LOAD: AVG 0.117864 MAX 0.180263 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.492 MB LDB: ============== END OF LOAD BALANCING =============== 8014.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8014.33 PRESSURE: 2764400 -61.0865 -8.00535 -115.293 -8.00448 265.924 -137.321 -115.293 -137.319 61.0404 GPRESSURE: 2764400 -8.70235 -54.8058 -78.49 -102.106 282.983 -80.103 -72.0808 -184.948 91.1323 PRESSAVG: 2764400 38.4125 -21.2214 -21.7228 -21.2214 -11.0722 58.354 -21.7228 58.3541 11.2747 GPRESSAVG: 2764400 38.129 -18.6365 -21.0069 -22.5408 -10.7878 58.2362 -21.7843 60.699 11.7456 TIMING: 2764400 CPU: 8011.23, 0.00296035/step Wall: 8011.23, 0.00296035/step, 1.83837 hours remaining, 209.304688 MB of memory in use. ENERGY: 2764400 738.6682 2158.2800 1964.8526 112.0385 -206251.7129 17738.1462 0.0000 0.0000 34372.6895 -149167.0379 300.1852 -183539.7274 -149080.6874 299.2120 88.6258 121.8044 558506.8179 12.8717 13.0289 PRESSURE: 2764600 -128.86 -39.8115 26.7374 -39.8119 -102.159 -17.8372 26.7365 -17.8374 -135.477 GPRESSURE: 2764600 -45.5073 -20.4534 -21.9867 -94.4973 -68.7758 23.6672 10.5108 -13.1665 -150.73 PRESSAVG: 2764600 1.54906 8.46851 4.09381 8.46846 -51.2241 41.3394 4.09372 41.3394 7.01334 GPRESSAVG: 2764600 3.18378 8.16537 2.62674 9.31146 -51.422 41.4456 3.65582 41.6279 5.76273 TIMING: 2764600 CPU: 8011.82, 0.0029115/step Wall: 8011.82, 0.0029115/step, 1.80788 hours remaining, 209.304688 MB of memory in use. ENERGY: 2764600 766.8584 2106.2799 1949.6235 112.9025 -205888.2605 17741.2084 0.0000 0.0000 34006.8927 -149204.4951 296.9907 -183211.3878 -149116.0794 298.8866 -122.1654 -88.3378 558868.7079 -14.2206 -14.1585 PRESSURE: 2764800 71.3731 104.909 -29.3132 104.911 327.937 -47.0843 -29.3129 -47.0837 228.727 GPRESSURE: 2764800 97.9099 31.3922 -48.906 103.068 360.893 44.911 -93.5574 -104.386 261.277 PRESSAVG: 2764800 10.3425 12.1409 -17.5699 12.1409 -5.2897 45.2964 -17.5698 45.2964 -16.1602 GPRESSAVG: 2764800 10.8458 14.2695 -18.9662 9.99508 -5.98127 45.7828 -17.5416 43.5743 -16.2188 TIMING: 2764800 CPU: 8012.4, 0.0029095/step Wall: 8012.4, 0.0029095/step, 1.80647 hours remaining, 209.304688 MB of memory in use. ENERGY: 2764800 756.9745 2064.2271 1926.5577 116.9406 -206493.3645 18187.3156 0.0000 0.0000 34300.4162 -149140.9327 299.5541 -183441.3489 -149044.4065 299.4092 209.3456 240.0268 557731.3482 -3.7025 -3.7847 PRESSURE: 2765000 -178.848 102.824 45.7258 102.824 -139.507 35.3693 45.725 35.3717 -97.7068 GPRESSURE: 2765000 -153.029 4.78347 31.0979 153.855 -132.349 2.04246 58.6057 84.2785 -34.3106 PRESSAVG: 2765000 27.3459 -10.0135 -10.7282 -10.0135 1.76764 3.87154 -10.7283 3.87162 -37.2417 GPRESSAVG: 2765000 26.0125 -13.6992 -7.83454 -7.26311 2.62325 2.68899 -11.5321 5.3269 -37.0707 TIMING: 2765000 CPU: 8012.98, 0.0029075/step Wall: 8012.98, 0.0029075/step, 1.80507 hours remaining, 209.304688 MB of memory in use. ENERGY: 2765000 748.8637 2040.9365 1964.7357 119.7595 -206293.3383 17760.5132 0.0000 0.0000 34506.2613 -149152.2684 301.3518 -183658.5297 -149050.8155 299.1957 -138.6875 -106.5630 558833.0031 -2.7094 -2.8116 PRESSURE: 2765200 58.2716 -23.1725 -212.249 -23.1711 -89.0546 -27.4052 -212.25 -27.4073 98.8384 GPRESSURE: 2765200 82.4207 -50.8289 -159.725 -47.2125 -42.3862 8.44703 -185.396 -74.2968 140.971 PRESSAVG: 2765200 12.9845 52.5127 26.7775 52.5127 -20.5001 63.8549 26.7774 63.8547 12.9899 GPRESSAVG: 2765200 12.3079 53.7905 25.5891 51.3872 -20.2014 65.3413 28.6678 63.3107 13.1258 TIMING: 2765200 CPU: 8013.56, 0.00289583/step Wall: 8013.56, 0.00289583/step, 1.79767 hours remaining, 209.304688 MB of memory in use. ENERGY: 2765200 743.7741 2097.2579 1951.0004 119.8146 -206097.0458 17984.1422 0.0000 0.0000 33996.1330 -149204.9237 296.8967 -183201.0567 -149108.8135 299.3729 22.6851 60.3350 558475.9559 1.8248 1.7441 PRESSURE: 2765400 -176.818 12.5848 80.2764 12.5848 75.3296 30.8233 80.2771 30.8243 -330.464 GPRESSURE: 2765400 -145.818 41.2439 53.964 -82.285 125.041 83.4574 79.6986 -37.168 -311.962 PRESSAVG: 2765400 14.1174 50.2098 16.4735 50.2097 -64.6075 -17.8506 16.4735 -17.8506 32.0017 GPRESSAVG: 2765400 15.3146 51.1694 16.484 50.6201 -65.6797 -19.405 14.9363 -15.8554 32.4232 TIMING: 2765400 CPU: 8014.14, 0.00288861/step Wall: 8014.14, 0.00288861/step, 1.79302 hours remaining, 209.304688 MB of memory in use. ENERGY: 2765400 772.7336 2139.1167 1955.1303 108.1428 -206068.5783 17671.0917 0.0000 0.0000 34127.4572 -149294.9060 298.0436 -183422.3631 -149203.1457 298.8895 -143.9842 -110.9129 557070.4928 -6.1628 -5.9806 PRESSURE: 2765600 -152.236 -44.3826 231.137 -44.3841 -155.189 14.2307 231.138 14.2321 -93.4643 GPRESSURE: 2765600 -117.969 -63.024 222.52 -40.9845 -119.792 -48.6748 244.831 22.8904 -57.3055 PRESSAVG: 2765600 -73.0641 -6.7093 -8.13571 -6.70923 -11.0545 2.64625 -8.13573 2.64635 56.62 GPRESSAVG: 2765600 -72.6234 -7.56673 -9.02769 -7.60596 -10.2064 2.50789 -6.84771 1.37434 55.6834 TIMING: 2765600 CPU: 8014.72, 0.00289284/step Wall: 8014.72, 0.00289284/step, 1.79549 hours remaining, 209.304688 MB of memory in use. ENERGY: 2765600 749.5839 2097.8627 1953.0520 112.0301 -206098.6880 17768.8778 0.0000 0.0000 34098.8665 -149318.4150 297.7939 -183417.2815 -149225.5627 298.6246 -133.6298 -98.3554 559155.9970 -9.1662 -9.0488 PRESSURE: 2765800 128.941 -26.8292 15.6976 -26.8299 -100.788 41.7071 15.6972 41.7065 -116.022 GPRESSURE: 2765800 142.513 -34.8297 41.9323 -72.8986 -88.6681 122.303 13.1067 62.0847 -41.7827 PRESSAVG: 2765800 13.5116 -43.3569 17.3939 -43.357 -96.7015 9.73334 17.3938 9.73341 50.3121 GPRESSAVG: 2765800 13.6087 -45.0097 18.7986 -42.1397 -96.665 10.0947 18.8735 9.28946 50.5774 TIMING: 2765800 CPU: 8015.3, 0.00290455/step Wall: 8015.3, 0.00290455/step, 1.8026 hours remaining, 209.304688 MB of memory in use. ENERGY: 2765800 765.6728 2098.9798 1946.8656 118.4912 -206517.4707 17945.4243 0.0000 0.0000 34210.0826 -149431.9545 298.7652 -183642.0371 -149333.9902 298.2244 -29.2898 4.0207 558333.6393 -10.9593 -10.8263 PRESSURE: 2766000 91.5691 -76.5786 185.471 -76.5798 -294.158 67.3706 185.471 67.3718 -14.3216 GPRESSURE: 2766000 118.557 -68.876 144.316 -89.3014 -280.97 10.5203 177.771 -13.6259 32.2479 PRESSAVG: 2766000 84.8087 0.190771 -33.0585 0.190759 -67.4775 10.5927 -33.0586 10.5927 -30.3658 GPRESSAVG: 2766000 83.4532 0.57732 -33.7054 1.29075 -67.3083 11.5198 -36.4589 11.5618 -29.5622 TIMING: 2766000 CPU: 8015.88, 0.00291903/step Wall: 8015.88, 0.00291903/step, 1.81142 hours remaining, 209.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2766000 766.0942 2143.5821 1966.1570 122.9035 -206637.1844 17898.1837 0.0000 0.0000 34163.0999 -149577.1640 298.3548 -183740.2639 -149478.5664 298.2315 -72.3035 -43.3885 559666.3160 -4.3449 -4.4724 PRESSURE: 2766200 -185.703 94.3559 -95.8707 94.3564 -192.52 112.396 -95.8694 112.397 -5.08756 GPRESSURE: 2766200 -199.776 122.892 -44.0227 55.9725 -71.7681 103.416 -105.699 116.428 -17.2352 PRESSAVG: 2766200 19.6359 24.038 -14.936 24.0381 27.4947 -24.8741 -14.9361 -24.8741 -18.693 GPRESSAVG: 2766200 18.9309 24.7314 -13.7945 23.7877 28.5097 -26.12 -14.4952 -24.0492 -19.1784 TIMING: 2766200 CPU: 8016.46, 0.00289997/step Wall: 8016.46, 0.00289997/step, 1.79943 hours remaining, 209.304688 MB of memory in use. ENERGY: 2766200 739.8712 2102.3512 1945.6042 118.4799 -206227.3486 17821.4592 0.0000 0.0000 34001.6316 -149497.9514 296.9447 -183499.5830 -149401.8235 297.9731 -127.7701 -96.2598 558735.0047 9.4792 9.4208 PRESSURE: 2766400 -61.942 -17.2072 54.4398 -17.2066 85.0608 57.5086 54.4409 57.5079 -107.318 GPRESSURE: 2766400 -66.7085 -96.4771 -70.1041 5.48518 121.443 35.4842 71.3471 44.007 -33.7226 PRESSAVG: 2766400 -43.8618 -22.9628 -30.2316 -22.9627 57.916 6.77266 -30.2317 6.77279 20.4834 GPRESSAVG: 2766400 -43.894 -22.1907 -29.8088 -25.1552 56.7866 5.86124 -30.2107 5.47676 21.4597 TIMING: 2766400 CPU: 8017.04, 0.00287577/step Wall: 8017.04, 0.00287577/step, 1.78426 hours remaining, 209.316406 MB of memory in use. ENERGY: 2766400 749.8498 2085.8796 1941.8686 102.9021 -206488.2430 18047.0883 0.0000 0.0000 34019.4236 -149541.2311 297.1001 -183560.6546 -149444.2367 298.0442 -28.0663 7.0041 558656.6228 11.5125 11.4508 PRESSURE: 2766600 -128.12 57.0859 60.6701 57.0864 -232.625 -251.684 60.668 -251.682 -297.175 GPRESSURE: 2766600 -96.0587 140.451 50.2093 44.6158 -209.558 -193.168 136.526 -286.153 -253.56 PRESSAVG: 2766600 -23.1725 67.1228 -13.8706 67.1228 25.5368 -23.4256 -13.8707 -23.4255 -13.174 GPRESSAVG: 2766600 -22.1586 66.8726 -16.0899 69.5128 25.3033 -22.1136 -11.6168 -23.7759 -14.3182 TIMING: 2766600 CPU: 8017.61, 0.00289219/step Wall: 8017.61, 0.00289219/step, 1.79428 hours remaining, 209.316406 MB of memory in use. ENERGY: 2766600 717.8637 2113.8754 1942.7635 107.6692 -206052.0212 17570.3140 0.0000 0.0000 34194.4774 -149405.0580 298.6289 -183599.5354 -149308.6112 298.0616 -219.3065 -186.3922 559701.4691 -3.6032 -3.7245 PRESSURE: 2766800 -233.621 -2.63688 -30.656 -2.63716 -45.6322 -39.1926 -30.6564 -39.1925 -65.414 GPRESSURE: 2766800 -216.531 57.7844 -49.7257 -0.418458 8.60448 -87.934 34.8028 37.5428 -44.0869 PRESSAVG: 2766800 25.6182 61.0629 -27.2928 61.0629 -4.1379 -23.0189 -27.2929 -23.0189 -18.6182 GPRESSAVG: 2766800 24.2136 63.7171 -27.9393 59.4814 -3.19999 -23.4988 -28.9688 -22.337 -18.1567 TIMING: 2766800 CPU: 8018.19, 0.00289456/step Wall: 8018.19, 0.00289456/step, 1.79559 hours remaining, 209.316406 MB of memory in use. ENERGY: 2766800 764.6974 2087.4483 1977.3430 126.9202 -206324.9440 17797.9921 0.0000 0.0000 34164.4858 -149406.0572 298.3670 -183570.5430 -149309.8586 299.3917 -114.8892 -84.0045 557954.2952 0.9540 0.9523 PRESSURE: 2767000 -264.993 -153.143 -19.5871 -153.143 -128.083 -131.078 -19.5881 -131.078 115.475 GPRESSURE: 2767000 -241.632 -153.223 -62.5903 -99.8466 -104.065 -61.6958 69.5537 -168.49 170.376 PRESSAVG: 2767000 14.9511 37.6887 45.8292 37.6887 -4.16409 -20.2247 45.8292 -20.2247 33.2997 GPRESSAVG: 2767000 15.3446 34.7811 47.905 36.7322 -3.52509 -20.1269 45.1942 -20.4635 32.1443 TIMING: 2767000 CPU: 8018.77, 0.00288419/step Wall: 8018.77, 0.00288419/step, 1.789 hours remaining, 209.316406 MB of memory in use. ENERGY: 2767000 766.4207 2064.0866 1944.6825 120.9815 -206319.8334 17867.1541 0.0000 0.0000 34107.3017 -149449.2063 297.8675 -183556.5079 -149346.2784 299.3416 -92.5339 -58.4402 558313.2580 14.6956 14.6546 PRESSURE: 2767200 -258.28 -82.1612 -36.4783 -82.1602 75.2417 -44.8364 -36.4797 -44.8368 21.2677 GPRESSURE: 2767200 -221.801 -107.997 -75.8743 -58.2998 126.896 -139.442 4.87074 25.8171 52.0285 PRESSAVG: 2767200 -10.3966 30.0418 25.2268 30.0419 31.9295 -12.4051 25.2267 -12.405 -34.4639 GPRESSAVG: 2767200 -10.4541 29.6746 23.3937 32.5002 30.9084 -13.5228 28.0086 -11.0661 -32.9895 TIMING: 2767200 CPU: 8019.34, 0.00286178/step Wall: 8019.34, 0.00286178/step, 1.77494 hours remaining, 209.316406 MB of memory in use. ENERGY: 2767200 777.0677 2102.4615 1949.4097 101.3424 -206678.2002 17894.8290 0.0000 0.0000 34357.8529 -149495.2369 300.0557 -183853.0898 -149393.1333 299.1317 -53.9237 -14.2922 556484.8251 -4.3104 -4.1784 PRESSURE: 2767400 -128.828 206.839 293.958 206.839 150.286 149.619 293.959 149.618 -72.926 GPRESSURE: 2767400 -88.8651 176.288 221.422 217.339 189.162 152.51 416.72 165.018 -55.8909 PRESSAVG: 2767400 -39.8009 43.7275 18.2827 43.7274 35.4003 37.26 18.2827 37.2599 44.4592 GPRESSAVG: 2767400 -39.9412 45.727 17.7519 41.8121 35.7083 37.8133 16.8404 38.4142 44.2652 TIMING: 2767400 CPU: 8019.92, 0.00286698/step Wall: 8019.92, 0.00286698/step, 1.77801 hours remaining, 209.316406 MB of memory in use. ENERGY: 2767400 721.6817 2140.5062 1907.5821 112.3056 -206605.1089 17801.8601 0.0000 0.0000 34400.8680 -149520.3052 300.4313 -183921.1733 -149421.5634 299.0802 -17.1559 14.8021 556739.3192 13.3529 13.3441 PRESSURE: 2767600 35.4894 -32.5643 -83.1106 -32.5632 72.4419 -69.7448 -83.1099 -69.743 -87.334 GPRESSURE: 2767600 35.463 -41.4446 -28.4227 55.8889 142.832 -31.4544 -138.293 -102.938 -50.0948 PRESSAVG: 2767600 30.5936 -55.8896 19.2484 -55.8896 32.067 -36.7433 19.2484 -36.7434 -50.4308 GPRESSAVG: 2767600 30.1484 -57.9234 20.8759 -54.8473 32.0058 -37.1657 18.8457 -37.3375 -50.1917 TIMING: 2767600 CPU: 8020.49, 0.00288663/step Wall: 8020.49, 0.00288663/step, 1.79003 hours remaining, 209.316406 MB of memory in use. ENERGY: 2767600 734.0818 2129.8464 1947.9435 118.9648 -206509.7427 17816.9567 0.0000 0.0000 34142.5664 -149619.3830 298.1755 -183761.9495 -149518.9224 298.1363 6.8658 42.7334 556952.8490 4.0766 3.9875 PRESSURE: 2767800 -54.4596 57.4319 -1.93255 57.4321 72.1601 -160.66 -1.9326 -160.66 -114.735 GPRESSURE: 2767800 -6.19246 -36.0401 -64.5897 81.1682 71.6048 -103.703 89.7356 -252.275 -59.792 PRESSAVG: 2767800 30.4481 4.11562 -54.5531 4.11559 -14.3617 6.02084 -54.5532 6.02083 -7.78107 GPRESSAVG: 2767800 30.9633 4.64761 -54.5442 3.23175 -14.3115 8.56823 -54.2134 3.74462 -7.87541 TIMING: 2767800 CPU: 8021.07, 0.00288719/step Wall: 8021.07, 0.00288719/step, 1.79022 hours remaining, 209.316406 MB of memory in use. ENERGY: 2767800 699.0872 2111.9685 1968.6403 111.1586 -206417.6135 17707.0024 0.0000 0.0000 34184.1240 -149635.6325 298.5385 -183819.7565 -149538.6125 298.3015 -32.3447 1.8734 558844.3187 2.7684 2.9254 PRESSURE: 2768000 -47.25 73.6071 -28.0813 73.6065 -33.2024 -98.4954 -28.0817 -98.4945 -216.141 GPRESSURE: 2768000 -8.98569 57.894 -24.0254 51.2411 59.0065 -132.296 -23.6902 -105.627 -236.454 PRESSAVG: 2768000 13.4381 7.88635 -4.23046 7.88629 21.827 -5.29497 -4.23054 -5.29498 15.2962 GPRESSAVG: 2768000 13.16 7.48386 -6.19079 8.44026 23.0306 -7.2109 -5.09523 -5.4526 14.4401 TIMING: 2768000 CPU: 8021.65, 0.00289013/step Wall: 8021.65, 0.00289013/step, 1.79188 hours remaining, 209.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2768000 772.1347 2073.9966 1951.2290 110.4074 -206516.6863 17801.9228 0.0000 0.0000 34223.5203 -149583.4757 298.8825 -183806.9960 -149477.2258 298.8978 -98.8645 -62.1445 557977.9586 16.8538 16.8769 PRESSURE: 2768200 -12.146 1.26703 16.203 1.26661 -280.209 -109.58 16.203 -109.579 -145.436 GPRESSURE: 2768200 32.0702 34.1475 64.3967 -27.228 -241.131 -94.4625 -130.269 -83.403 -120.598 PRESSAVG: 2768200 -8.02406 -8.07317 41.9589 -8.0731 -16.0882 -74.2021 41.959 -74.202 -7.67387 GPRESSAVG: 2768200 -7.79319 -7.86223 42.8782 -7.44108 -17.0309 -73.5614 40.4052 -73.522 -6.78364 TIMING: 2768200 CPU: 8022.23, 0.00289657/step Wall: 8022.23, 0.00289657/step, 1.79571 hours remaining, 209.316406 MB of memory in use. ENERGY: 2768200 805.5711 2111.5583 1974.4624 113.5202 -206925.3172 17950.4041 0.0000 0.0000 34316.6305 -149653.1706 299.6957 -183969.8011 -149558.6837 298.3707 -145.9305 -109.8861 558300.2055 -10.5954 -10.5359 LDB: ============= START OF LOAD BALANCING ============== 8025.61 LDB: ============== END OF LOAD BALANCING =============== 8025.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8025.61 LDB: ============= START OF LOAD BALANCING ============== 8025.9 LDB: Largest compute 4800 load 0.026268 is 22.3% of average load 0.117970 LDB: Average compute 0.001763 is 1.5% of average load 0.117970 LDB: TIME 8025.91 LOAD: AVG 0.11797 MAX 0.182063 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.492 MB LDB: TIME 8025.91 LOAD: AVG 0.11797 MAX 0.182063 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.695 MB LDB: TIME 8025.91 LOAD: AVG 0.11797 MAX 0.182063 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.695 MB LDB: ============== END OF LOAD BALANCING =============== 8025.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8025.91 PRESSURE: 2768400 48.3336 -103.376 151.131 -103.376 -20.1248 90.0705 151.132 90.0697 -50.6807 GPRESSURE: 2768400 102.99 -71.4064 176.557 -55.1371 0.932597 70.4979 55.1611 48.4348 -20.2914 PRESSAVG: 2768400 62.2885 -34.7511 5.60878 -34.7511 -6.76213 4.82312 5.60886 4.82322 -22.6063 GPRESSAVG: 2768400 62.782 -36.1947 7.88847 -31.8355 -6.6671 4.08275 4.84248 4.02438 -22.5274 TIMING: 2768400 CPU: 8022.82, 0.00294788/step Wall: 8022.82, 0.00294788/step, 1.82736 hours remaining, 207.667969 MB of memory in use. ENERGY: 2768400 759.6256 2146.5195 1941.5403 120.3717 -206747.8327 18116.4463 0.0000 0.0000 34162.9294 -149500.3997 298.3534 -183663.3292 -149403.8535 298.2773 -7.4906 27.8770 557357.4202 10.9734 11.1958 PRESSURE: 2768600 166.312 177.504 -80.9265 177.505 -27.655 -9.66159 -80.9269 -9.66263 52.3171 GPRESSURE: 2768600 154.444 213.925 -112.586 167.573 17.8331 42.6789 -81.2914 0.351131 123.695 PRESSAVG: 2768600 48.8387 -5.32825 0.87298 -5.32824 -30.5761 -42.4137 0.872994 -42.4137 -1.64251 GPRESSAVG: 2768600 48.2335 -4.47773 -0.0519933 -8.27158 -29.8349 -40.4447 3.76803 -41.166 -1.76571 TIMING: 2768600 CPU: 8023.4, 0.00289088/step Wall: 8023.4, 0.00289088/step, 1.79187 hours remaining, 207.667969 MB of memory in use. ENERGY: 2768600 787.2345 2104.5566 1956.1324 122.4441 -206773.5371 18137.5521 0.0000 0.0000 34261.3991 -149404.2183 299.2133 -183665.6174 -149313.9331 298.8766 63.6580 98.6572 557496.6890 5.5400 5.5443 PRESSURE: 2768800 -95.172 15.3539 -28.9399 15.3529 -2.01963 -63.0262 -28.9401 -63.0255 -182.114 GPRESSURE: 2768800 -82.5717 56.8919 -46.8926 41.6153 34.7786 -96.0303 25.1739 -79.9233 -131.758 PRESSAVG: 2768800 -24.558 11.9982 4.68298 11.9982 12.2698 10.6083 4.68302 10.6082 -5.41585 GPRESSAVG: 2768800 -22.9604 13.2959 4.58827 13.3818 10.7609 8.57843 3.23972 11.0544 -5.5874 TIMING: 2768800 CPU: 8023.98, 0.00291501/step Wall: 8023.98, 0.00291501/step, 1.80666 hours remaining, 207.667969 MB of memory in use. ENERGY: 2768800 760.3430 2091.8396 1945.4241 103.7240 -206392.7345 17893.8431 0.0000 0.0000 34340.5685 -149256.9922 299.9047 -183597.5607 -149155.1550 299.0905 -93.1018 -59.8503 558227.7340 -5.9014 -5.9290 PRESSURE: 2769000 -89.3512 -2.47847 39.8249 -2.48028 -79.5895 105.837 39.8258 105.836 -464.309 GPRESSURE: 2769000 -48.7656 -18.7845 75.6525 -27.2768 -62.4309 37.3255 85.2334 117.566 -429.951 PRESSAVG: 2769000 -14.1481 16.1005 11.9365 16.1005 21.2705 -4.40546 11.9366 -4.40555 -25.4434 GPRESSAVG: 2769000 -14.8412 14.6663 12.3331 14.8995 21.9553 -4.77027 12.2786 -3.83845 -25.7407 TIMING: 2769000 CPU: 8024.56, 0.00290923/step Wall: 8024.56, 0.00290923/step, 1.80291 hours remaining, 207.667969 MB of memory in use. ENERGY: 2769000 783.3160 2124.5112 1954.3161 106.2116 -205854.6722 17570.7996 0.0000 0.0000 34089.3064 -149226.2113 297.7104 -183315.5178 -149129.0171 299.1154 -211.0834 -180.3825 556943.3298 -6.1070 -6.2089 PRESSURE: 2769200 111.886 -80.9079 -117.747 -80.91 229.577 -83.3402 -117.747 -83.3399 -112.083 GPRESSURE: 2769200 127.58 -96.2503 -123.054 -45.1044 284.339 -65.029 -147.588 -86.6747 -81.7566 PRESSAVG: 2769200 2.9528 -35.9625 27.3549 -35.9625 -1.29062 -57.4136 27.3548 -57.4137 -5.3979 GPRESSAVG: 2769200 3.70985 -35.1052 26.571 -36.2289 -0.692779 -57.8148 27.0435 -59.5989 -6.6215 TIMING: 2769200 CPU: 8025.14, 0.00291359/step Wall: 8025.14, 0.00291359/step, 1.80545 hours remaining, 207.667969 MB of memory in use. ENERGY: 2769200 772.0160 2085.8865 1965.9246 113.1996 -206324.2688 17848.9976 0.0000 0.0000 34318.4911 -149219.7533 299.7119 -183538.2443 -149125.9197 299.3809 76.4600 110.0543 556402.5230 -1.2452 -1.2015 PRESSURE: 2769400 124.386 3.66813 68.3885 3.66893 -121.868 104.661 68.389 104.662 118.749 GPRESSURE: 2769400 148.814 21.1918 77.2947 -36.0964 -97.9919 108.734 33.5729 45.2301 162.595 PRESSAVG: 2769400 74.662 -41.2551 -13.6641 -41.2551 -30.5439 -23.3544 -13.6642 -23.3544 57.4584 GPRESSAVG: 2769400 73.5446 -41.7356 -14.5177 -39.7458 -30.2518 -22.6618 -11.8868 -23.791 58.6278 TIMING: 2769400 CPU: 8025.73, 0.00291923/step Wall: 8025.73, 0.00291923/step, 1.80879 hours remaining, 207.667969 MB of memory in use. ENERGY: 2769400 748.0984 2119.5675 1932.2451 113.6392 -206208.8745 17836.4615 0.0000 0.0000 34283.0134 -149175.8493 299.4021 -183458.8627 -149077.6907 299.0766 40.4224 71.1393 556769.9564 33.8588 33.9735 PRESSURE: 2769600 -326.525 -176.927 165.31 -176.928 176.159 95.219 165.31 95.2173 -166.447 GPRESSURE: 2769600 -277.584 -130.256 178.543 -149.859 188.594 97.4384 180.262 46.6474 -153.661 PRESSAVG: 2769600 3.98038 11.9849 32.7266 11.9848 8.01864 35.8996 32.7265 35.8997 0.786249 GPRESSAVG: 2769600 3.28521 10.9303 33.6748 11.9696 7.64764 36.5647 30.8429 35.9092 1.41858 TIMING: 2769600 CPU: 8026.3, 0.00288286/step Wall: 8026.3, 0.00288286/step, 1.78609 hours remaining, 207.667969 MB of memory in use. ENERGY: 2769600 747.0611 2155.0820 1967.6678 117.9810 -206040.5192 17623.4228 0.0000 0.0000 34216.8756 -149212.4289 298.8245 -183429.3045 -149121.4986 299.3188 -105.6043 -80.8837 558098.7601 4.2618 4.1171 PRESSURE: 2769800 -23.9021 -14.6329 -0.337382 -14.6329 190.85 55.6725 -0.338619 55.675 136.402 GPRESSURE: 2769800 -4.79454 -4.85159 36.5581 -9.17181 233.842 151.682 -33.3952 44.2854 167.141 PRESSAVG: 2769800 -21.1241 -24.513 41.5826 -24.513 77.0577 45.4714 41.5826 45.4713 -20.0424 GPRESSAVG: 2769800 -21.1542 -23.3729 41.3858 -24.6897 77.5971 45.0257 40.9319 47.2529 -19.8767 TIMING: 2769800 CPU: 8026.88, 0.00289316/step Wall: 8026.88, 0.00289316/step, 1.79231 hours remaining, 207.871094 MB of memory in use. ENERGY: 2769800 757.0494 2143.9845 1950.5391 116.3007 -206307.6196 17916.1572 0.0000 0.0000 34408.9545 -149014.6340 300.5020 -183423.5886 -148913.1518 299.4995 101.1167 132.0627 556812.2196 11.9637 12.1887 PRESSURE: 2770000 -182.009 -44.3443 -20.1717 -44.3433 -5.47925 -6.01602 -20.1722 -6.01628 -102.085 GPRESSURE: 2770000 -149.868 -57.8106 -31.0628 -28.1644 -5.21004 56.8556 58.5863 6.54011 -38.7393 PRESSAVG: 2770000 -14.3419 -15.0451 -1.72111 -15.0451 -48.1768 18.3146 -1.72112 18.3147 31.3942 GPRESSAVG: 2770000 -13.9746 -15.2732 -2.6684 -15.1347 -48.1233 18.5161 -0.415585 16.4458 31.2896 TIMING: 2770000 CPU: 8027.46, 0.0029062/step Wall: 8027.46, 0.0029062/step, 1.80023 hours remaining, 207.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2770000 777.6855 2085.1299 2004.6027 123.7295 -206305.2012 17833.0231 0.0000 0.0000 34366.6582 -149114.3723 300.1326 -183481.0305 -149015.0799 300.0582 -96.5244 -64.6057 557693.0028 -10.3748 -10.2694 PRESSURE: 2770200 -59.3493 40.0216 -253.149 40.0215 -60.2436 -49.1011 -253.149 -49.1006 -19.8706 GPRESSURE: 2770200 -55.7305 65.6525 -189.299 26.8426 9.55703 -143.024 -345.743 -38.8873 18.8997 PRESSAVG: 2770200 35.6778 4.86234 -81.3014 4.86235 -95.383 22.0619 -81.3015 22.0619 16.345 GPRESSAVG: 2770200 36.755 2.16363 -80.1285 5.34825 -95.3808 19.9792 -81.1165 23.5382 15.2742 TIMING: 2770200 CPU: 8028.04, 0.00289445/step Wall: 8028.04, 0.00289445/step, 1.79279 hours remaining, 207.871094 MB of memory in use. ENERGY: 2770200 703.4128 2090.8915 1954.2146 113.7953 -205797.2592 17609.8069 0.0000 0.0000 34265.1100 -149060.0283 299.2457 -183325.1382 -148962.3791 299.7639 -46.4878 -9.0912 558297.7963 -14.4534 -14.4505 PRESSURE: 2770400 113.389 142.592 32.8847 142.591 27.1264 -95.5336 32.8845 -95.5355 -205.02 GPRESSURE: 2770400 130.622 71.8289 41.4174 163.871 69.1348 -9.43837 -15.9087 -134.353 -175.197 PRESSAVG: 2770400 -22.8254 17.7346 -24.0325 17.7346 8.77212 12.1228 -24.0326 12.1229 -3.31924 GPRESSAVG: 2770400 -23.9476 18.7961 -22.3853 17.6181 8.79685 14.8232 -25.2116 11.2011 -2.23176 TIMING: 2770400 CPU: 8028.62, 0.0028935/step Wall: 8028.62, 0.0028935/step, 1.79204 hours remaining, 207.871094 MB of memory in use. ENERGY: 2770400 748.2574 2124.4775 1977.1678 113.3060 -206213.0126 17786.1603 0.0000 0.0000 34277.4680 -149186.1755 299.3537 -183463.6436 -149092.0714 299.6539 -21.5015 8.1864 557035.0006 -5.7908 -5.7942 PRESSURE: 2770600 -119.618 25.8689 36.9145 25.8681 -269.424 266.179 36.9136 266.177 -379.244 GPRESSURE: 2770600 -92.2203 -34.8165 70.1694 10.6939 -265.558 170.744 67.0024 283.155 -319.806 PRESSAVG: 2770600 11.5776 29.6967 17.8639 29.6968 -10.648 -11.5935 17.864 -11.5936 -9.60244 GPRESSAVG: 2770600 12.9418 31.8276 16.7892 29.8171 -12.6642 -13.2757 19.9638 -10.9236 -9.5605 TIMING: 2770600 CPU: 8029.2, 0.00289111/step Wall: 8029.2, 0.00289111/step, 1.7904 hours remaining, 207.871094 MB of memory in use. ENERGY: 2770600 738.2423 2095.9294 1954.9931 111.1589 -205917.3355 17579.2312 0.0000 0.0000 34350.0194 -149087.7612 299.9873 -183437.7806 -148992.5456 299.2412 -256.0953 -225.8615 557257.0195 -2.8910 -3.0943 PRESSURE: 2770800 149.096 -11.068 -129.307 -11.0684 192.163 -90.9052 -129.306 -90.9052 148.813 GPRESSURE: 2770800 146.108 -55.6946 -182.659 -24.9462 228.666 -47.8733 -125.039 -11.5179 223.466 PRESSAVG: 2770800 27.451 -55.196 0.635387 -55.1961 1.45326 -76.7373 0.635367 -76.7374 -51.394 GPRESSAVG: 2770800 26.2027 -55.493 -0.485863 -54.7805 3.09378 -75.1403 -0.0817134 -77.1767 -51.1561 TIMING: 2770800 CPU: 8029.78, 0.00288956/step Wall: 8029.78, 0.00288956/step, 1.78928 hours remaining, 207.871094 MB of memory in use. ENERGY: 2770800 784.0561 2109.3632 1945.3379 106.1244 -206416.6437 18065.7334 0.0000 0.0000 34432.2926 -148973.7361 300.7058 -183406.0287 -148884.1519 300.3010 163.3574 199.4132 556919.3025 -7.4966 -7.2865 PRESSURE: 2771000 -8.42075 -20.8158 -190.704 -20.8159 57.7614 119.148 -190.704 119.148 -69.8581 GPRESSURE: 2771000 14.929 -108.677 -300.554 -17.5276 104.12 126.154 -161.732 41.9591 -39.8685 PRESSAVG: 2771000 1.98395 -32.7979 -40.3558 -32.7979 2.1896 20.3399 -40.3559 20.34 -34.5131 GPRESSAVG: 2771000 0.923957 -32.5614 -37.7214 -31.929 1.80012 18.6154 -42.2896 21.0807 -33.6287 TIMING: 2771000 CPU: 8030.36, 0.00291358/step Wall: 8030.36, 0.00291358/step, 1.80399 hours remaining, 207.871094 MB of memory in use. ENERGY: 2771000 700.6804 2072.1839 1942.8234 112.8784 -206036.5839 17684.1542 0.0000 0.0000 34500.6572 -149023.2065 301.3028 -183523.8637 -148928.1359 300.1122 -6.8392 26.3935 558552.1642 -10.1132 -10.3015 PRESSURE: 2771200 87.1079 43.908 -78.5015 43.9071 -57.3717 149.206 -78.5014 149.206 -312.48 GPRESSURE: 2771200 87.5599 1.1772 -61.7529 21.4928 -6.49276 154.28 -51.9555 121.513 -276.485 PRESSAVG: 2771200 36.1438 -11.2037 -37.1465 -11.2037 -3.57446 -34.52 -37.1465 -34.5201 -45.8712 GPRESSAVG: 2771200 37.5682 -11.7113 -37.6711 -13.794 -3.63474 -32.6019 -36.5381 -35.5701 -47.0878 TIMING: 2771200 CPU: 8030.94, 0.00288147/step Wall: 8030.94, 0.00288147/step, 1.78395 hours remaining, 207.871094 MB of memory in use. ENERGY: 2771200 743.6928 2036.9443 1977.6642 121.1287 -205830.1865 17570.1116 0.0000 0.0000 34288.9555 -149091.6895 299.4540 -183380.6451 -148995.8847 300.2370 -94.2480 -65.1394 557976.5699 -4.4340 -4.3848 PRESSURE: 2771400 119.858 115.148 2.83096 115.148 20.4899 -155.96 2.83194 -155.961 -34.5439 GPRESSURE: 2771400 162.675 102.79 76.6484 130.305 50.8258 -179.42 -68.1594 -195.876 -6.57116 PRESSAVG: 2771400 48.1352 3.95556 -18.1097 3.95569 -26.5843 -9.8737 -18.1096 -9.87371 -41.2778 GPRESSAVG: 2771400 48.0916 5.62652 -18.4336 5.3964 -26.5116 -11.1129 -17.6544 -8.3106 -41.6194 TIMING: 2771400 CPU: 8031.51, 0.00287456/step Wall: 8031.51, 0.00287456/step, 1.77951 hours remaining, 207.871094 MB of memory in use. ENERGY: 2771400 706.1505 2099.6816 1960.3496 130.2932 -206335.6622 17878.2759 0.0000 0.0000 34272.1499 -149288.7615 299.3072 -183560.9114 -149196.1004 299.9357 35.2681 68.9764 557797.5031 -6.5756 -6.6798 PRESSURE: 2771600 118.85 97.3144 -49.2064 97.3145 -46.8955 -40.8316 -49.2062 -40.8331 -5.40835 GPRESSURE: 2771600 120.9 185.961 -38.0265 108.598 -21.9456 -106.786 -64.2297 -88.5978 65.9015 PRESSAVG: 2771600 41.2236 28.0456 -27.505 28.0456 12.3827 -11.1705 -27.505 -11.1706 -59.2088 GPRESSAVG: 2771600 40.6116 26.1842 -27.1349 26.6573 13.0582 -11.2416 -28.0307 -11.7634 -59.1799 TIMING: 2771600 CPU: 8032.09, 0.00289478/step Wall: 8032.09, 0.00289478/step, 1.79187 hours remaining, 207.886719 MB of memory in use. ENERGY: 2771600 724.7826 2101.7605 1961.3773 107.0772 -206334.4775 17932.6429 0.0000 0.0000 34121.8130 -149385.0241 297.9943 -183506.8371 -149286.0852 299.2362 22.1821 54.9520 556867.2258 -1.8675 -1.8367 PRESSURE: 2771800 89.7641 4.72681 -123.841 4.72523 -20.6071 -8.02211 -123.839 -8.02129 200.01 GPRESSURE: 2771800 154.743 -42.9315 -173.243 55.2198 9.63518 15.6768 -172.887 -25.7921 222.39 PRESSAVG: 2771800 37.7927 -63.4642 -16.235 -63.4642 -77.8002 -76.8087 -16.2349 -76.8086 28.9921 GPRESSAVG: 2771800 37.8954 -63.4326 -16.7129 -63.2019 -77.1592 -76.1051 -15.0554 -77.3694 28.8804 TIMING: 2771800 CPU: 8032.67, 0.0028772/step Wall: 8032.67, 0.0028772/step, 1.78082 hours remaining, 207.886719 MB of memory in use. ENERGY: 2771800 755.5035 2103.7752 1949.8755 115.6009 -206906.4302 18146.8263 0.0000 0.0000 34226.6713 -149608.1775 298.9100 -183834.8488 -149508.8111 297.9141 89.7224 128.9229 556805.6485 -3.6718 -3.4611 PRESSURE: 2772000 -32.5349 -115.455 -10.3194 -115.455 -314.723 197.136 -10.3182 197.135 53.6218 GPRESSURE: 2772000 -32.9345 -84.3683 25.1951 -108.603 -218.614 173.702 29.1622 202.724 52.4158 PRESSAVG: 2772000 109.121 33.3287 -20.0639 33.3287 -75.776 5.69511 -20.0639 5.69511 23.2973 GPRESSAVG: 2772000 108.675 33.6019 -20.6931 32.9712 -75.9379 5.82787 -21.4132 5.18677 23.9334 TIMING: 2772000 CPU: 8033.24, 0.0028807/step Wall: 8033.24, 0.0028807/step, 1.78284 hours remaining, 207.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2772000 744.4519 2048.9551 1926.5101 98.1002 -206597.5214 17873.3710 0.0000 0.0000 34290.9749 -149615.1582 299.4716 -183906.1331 -149515.4859 298.7273 -97.8786 -66.3777 559098.8472 18.8808 18.8903 PRESSURE: 2772200 -249.329 13.0327 75.8732 13.033 -284.547 41.2025 75.8731 41.2031 -149.344 GPRESSURE: 2772200 -238.692 -16.3077 72.7297 6.10999 -258.383 4.76034 35.0519 57.6436 -91.7485 PRESSAVG: 2772200 -33.5635 -22.136 -45.0408 -22.136 27.5168 58.5791 -45.0409 58.5791 64.8926 GPRESSAVG: 2772200 -34.4857 -22.5451 -44.1764 -20.9095 28.0295 58.7357 -44.7646 59.3715 65.1777 TIMING: 2772200 CPU: 8033.82, 0.00287365/step Wall: 8033.82, 0.00287365/step, 1.77831 hours remaining, 207.886719 MB of memory in use. ENERGY: 2772200 753.1489 2088.7184 1958.7201 112.3390 -206796.0383 17895.1976 0.0000 0.0000 34209.5147 -149778.3996 298.7602 -183987.9143 -149684.5248 298.0702 -227.7400 -196.2743 557415.0747 19.6153 19.5739 LDB: ============= START OF LOAD BALANCING ============== 8037.2 LDB: ============== END OF LOAD BALANCING =============== 8037.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8037.2 LDB: ============= START OF LOAD BALANCING ============== 8037.49 LDB: Largest compute 4800 load 0.026035 is 22.1% of average load 0.117919 LDB: Average compute 0.001755 is 1.5% of average load 0.117919 LDB: TIME 8037.5 LOAD: AVG 0.117919 MAX 0.180525 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.477 MB LDB: TIME 8037.5 LOAD: AVG 0.117919 MAX 0.180525 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.719 MB LDB: TIME 8037.5 LOAD: AVG 0.117919 MAX 0.180525 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.719 MB LDB: ============== END OF LOAD BALANCING =============== 8037.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8037.5 PRESSURE: 2772400 -122.368 -81.0153 -84.7972 -81.0159 66.274 75.5822 -84.7967 75.5814 36.8241 GPRESSURE: 2772400 -50.7668 -34.0194 -188.186 -11.8096 44.9301 100.337 3.47142 146.833 77.0409 PRESSAVG: 2772400 1.98117 -20.4155 -51.4251 -20.4156 -2.23634 20.2763 -51.425 20.2763 -7.38937 GPRESSAVG: 2772400 1.75282 -21.4537 -54.5293 -18.8724 -3.04652 17.6793 -49.2641 21.2185 -7.05919 TIMING: 2772400 CPU: 8034.41, 0.00295273/step Wall: 8034.41, 0.00295273/step, 1.82708 hours remaining, 210.542969 MB of memory in use. ENERGY: 2772400 756.9379 2086.8849 1966.2909 118.1184 -206600.8308 17852.7090 0.0000 0.0000 34076.1471 -149743.7424 297.5955 -183819.8896 -149647.7637 297.6898 -6.4232 23.7347 555854.9097 -2.5482 -2.7843 PRESSURE: 2772600 5.11873 -153.317 72.7633 -153.316 151.282 -54.1547 72.7635 -54.1538 114.976 GPRESSURE: 2772600 53.6135 -149.073 50.4734 -178.456 225.611 -8.90195 144.484 -28.3194 105.985 PRESSAVG: 2772600 -31.5201 42.0418 -12.3478 42.0418 7.96759 -9.09261 -12.3478 -9.0926 46.9943 GPRESSAVG: 2772600 -29.0262 41.2841 -9.31872 39.3205 6.98967 -8.29642 -14.3861 -7.92427 45.5539 TIMING: 2772600 CPU: 8034.99, 0.00289482/step Wall: 8034.99, 0.00289482/step, 1.79109 hours remaining, 210.746094 MB of memory in use. ENERGY: 2772600 748.7069 2027.5436 1955.9698 112.2715 -206528.4881 17937.7574 0.0000 0.0000 33991.6690 -149754.5698 296.8577 -183746.2389 -149658.3597 297.9162 90.4589 128.4031 556295.5077 7.8139 7.8391 PRESSURE: 2772800 88.6956 -132.469 175.403 -132.47 187.745 46.1677 175.402 46.1677 -176.019 GPRESSURE: 2772800 110.777 -126.145 87.4376 -140.63 192.69 -97.4922 168.418 -4.85031 -112.369 PRESSAVG: 2772800 4.29389 -29.3143 10.6519 -29.3143 -45.0593 -23.2975 10.652 -23.2975 30.7965 GPRESSAVG: 2772800 2.65777 -26.5503 10.0211 -28.9444 -43.5191 -21.5033 10.6516 -26.7718 31.0474 TIMING: 2772800 CPU: 8035.56, 0.0028969/step Wall: 8035.56, 0.0028969/step, 1.79222 hours remaining, 210.746094 MB of memory in use. ENERGY: 2772800 727.8549 2092.0504 1965.8604 112.6599 -206136.9452 17698.6291 0.0000 0.0000 33998.0669 -149541.8236 296.9136 -183539.8905 -149452.3449 297.5700 33.4738 63.6992 555583.3924 -3.3230 -3.2713 PRESSURE: 2773000 -166.498 113.019 -29.8158 113.02 -75.2373 10.4291 -29.8153 10.4283 -62.2775 GPRESSURE: 2773000 -90.4462 132.691 -10.6404 64.3007 -63.8801 66.5431 -1.69137 -30.8326 -40.2499 PRESSAVG: 2773000 104.755 27.6604 4.06039 27.6604 -100.138 -0.876919 4.06041 -0.877171 21.5764 GPRESSAVG: 2773000 104.644 27.1537 3.62675 27.0075 -99.9223 -2.95307 5.26686 -1.40316 21.5788 TIMING: 2773000 CPU: 8036.14, 0.00288493/step Wall: 8036.14, 0.00288493/step, 1.78465 hours remaining, 210.746094 MB of memory in use. ENERGY: 2773000 728.8881 2056.3238 1917.4133 112.7854 -206033.4347 17690.2489 0.0000 0.0000 34092.8647 -149434.9105 297.7415 -183527.7752 -149351.6747 298.5668 -101.3376 -64.8588 557036.4877 8.7313 8.7669 PRESSURE: 2773200 -34.5764 -63.197 187.579 -63.1968 -169.924 -98.5807 187.578 -98.5814 -65.7456 GPRESSURE: 2773200 -5.16879 -151.396 151.459 4.21883 -139.634 -127.203 174.531 -71.359 -23.9475 PRESSAVG: 2773200 2.0909 -30.9485 5.30541 -30.9485 1.65459 -15.4623 5.30529 -15.4623 -22.4424 GPRESSAVG: 2773200 3.13939 -31.3769 6.18428 -30.7832 1.80375 -14.9228 4.02758 -12.7413 -23.3482 TIMING: 2773200 CPU: 8036.72, 0.00289426/step Wall: 8036.72, 0.00289426/step, 1.79026 hours remaining, 210.746094 MB of memory in use. ENERGY: 2773200 719.4873 2057.0968 1949.7026 112.1917 -206360.6090 17819.4691 0.0000 0.0000 34282.4108 -149420.2509 299.3968 -183702.6617 -149334.1234 298.4635 -90.0821 -56.2501 558128.2057 -6.2323 -6.1350 PRESSURE: 2773400 -355.604 21.9758 -161.58 21.976 38.0163 -140.429 -161.579 -140.429 -78.7359 GPRESSURE: 2773400 -301.438 -89.0089 -187.904 -5.63821 13.6837 -68.8503 -154.015 -180.243 -10.0866 PRESSAVG: 2773400 -52.544 11.0335 -14.1267 11.0335 40.0393 -17.544 -14.1266 -17.544 42.7251 GPRESSAVG: 2773400 -53.4545 10.3871 -16.0674 12.5092 38.9302 -17.9566 -12.434 -18.3592 44.6182 TIMING: 2773400 CPU: 8037.3, 0.00289457/step Wall: 8037.3, 0.00289457/step, 1.79029 hours remaining, 210.746094 MB of memory in use. ENERGY: 2773400 756.1833 2127.9984 1936.0989 109.6824 -206223.3264 17880.7455 0.0000 0.0000 34016.4051 -149396.2127 297.0737 -183412.6178 -149296.4184 298.8608 -132.1078 -99.2803 558240.0253 10.0735 10.0313 PRESSURE: 2773600 18.6527 -57.5479 87.6695 -57.5493 54.3358 101.836 87.6689 101.837 -325.636 GPRESSURE: 2773600 47.2887 -42.6375 171.96 -69.3048 73.1049 74.0029 132.847 92.3807 -290.658 PRESSAVG: 2773600 -14.1912 7.97751 -24.7266 7.9775 27.1721 18.3305 -24.7266 18.3305 -6.36245 GPRESSAVG: 2773600 -13.5476 7.17139 -23.4008 8.60396 27.5921 20.045 -26.0641 16.0254 -7.00768 TIMING: 2773600 CPU: 8037.88, 0.00290606/step Wall: 8037.88, 0.00290606/step, 1.79724 hours remaining, 210.746094 MB of memory in use. ENERGY: 2773600 760.0604 2082.4721 1938.5208 112.5673 -206002.6090 17742.1727 0.0000 0.0000 34242.2590 -149124.5567 299.0462 -183366.8157 -149031.5020 298.7458 -84.2159 -56.7548 559035.8097 2.2062 2.3456 PRESSURE: 2773800 -168.828 -12.6664 71.1071 -12.6682 -156.498 55.0777 71.1075 55.0771 383.782 GPRESSURE: 2773800 -72.3736 66.3319 154.792 -74.7519 -173.249 138.168 36.93 34.3564 401.727 PRESSAVG: 2773800 26.6983 -30.397 3.33602 -30.3971 -27.3601 -8.42196 3.33608 -8.422 35.7417 GPRESSAVG: 2773800 26.2825 -29.5069 2.16072 -33.8297 -26.5222 -9.98433 4.02551 -8.46957 35.3026 TIMING: 2773800 CPU: 8038.46, 0.00290002/step Wall: 8038.46, 0.00290002/step, 1.79334 hours remaining, 210.746094 MB of memory in use. ENERGY: 2773800 760.0337 2090.5097 1962.1074 119.8783 -206124.7829 17916.9389 0.0000 0.0000 34147.4994 -149127.8155 298.2186 -183275.3149 -149029.0381 298.8642 19.4855 52.0346 559085.5083 11.6933 11.6876 PRESSURE: 2774000 108.169 73.3644 -51.8272 73.3647 126.195 4.65558 -51.8265 4.65557 50.2903 GPRESSURE: 2774000 173.419 36.8858 13.0806 104.94 76.7574 41.4369 -124.832 -30.7154 133.713 PRESSAVG: 2774000 -25.2819 -21.3747 -33.6914 -21.3748 -14.9409 6.21091 -33.6913 6.21099 36.8573 GPRESSAVG: 2774000 -26.1613 -21.1067 -31.3711 -18.2242 -15.2312 6.23306 -35.2766 8.31699 37.7889 TIMING: 2774000 CPU: 8039.04, 0.00288809/step Wall: 8039.04, 0.00288809/step, 1.7858 hours remaining, 210.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2774000 752.6377 2111.1511 1938.4820 129.6556 -206403.6692 18118.0205 0.0000 0.0000 34082.1856 -149271.5368 297.6482 -183353.7223 -149174.3843 298.8478 94.8850 127.9632 559162.5948 -1.1218 -1.2012 PRESSURE: 2774200 -59.7742 -129.123 -78.8574 -129.122 -191.06 -50.7936 -78.8575 -50.7937 35.9375 GPRESSURE: 2774200 -82.7204 -184.098 -28.5955 -161.377 -158.587 -32.6376 -106.779 -9.8702 122.118 PRESSAVG: 2774200 -37.3515 -71.2367 19.1975 -71.2368 7.68358 21.3163 19.1975 21.3164 -14.7695 GPRESSAVG: 2774200 -35.745 -72.7443 17.7309 -72.554 7.01968 20.807 20.7022 19.9232 -15.7095 TIMING: 2774200 CPU: 8039.62, 0.00288829/step Wall: 8039.62, 0.0028883/step, 1.78577 hours remaining, 210.746094 MB of memory in use. ENERGY: 2774200 740.1967 2078.8990 1963.6362 106.6655 -206045.6898 17962.0633 0.0000 0.0000 34069.9490 -149124.2801 297.5413 -183194.2292 -149028.3645 298.6833 -71.6322 -39.7295 560798.7110 -14.8125 -14.8116 PRESSURE: 2774400 -171.872 -65.647 23.185 -65.6464 14.5882 23.7125 23.1856 23.7136 -86.7685 GPRESSURE: 2774400 -104.626 -47.0398 -137.923 -45.8329 43.6754 54.5432 -0.845846 102.947 -85.2468 PRESSAVG: 2774400 61.1024 -16.3942 24.8235 -16.3943 -32.9635 -0.668369 24.8235 -0.66844 11.1521 GPRESSAVG: 2774400 58.9625 -17.0245 24.7318 -14.3072 -31.1635 -1.19099 24.4985 3.55564 11.3916 TIMING: 2774400 CPU: 8040.2, 0.00290501/step Wall: 8040.2, 0.00290501/step, 1.79594 hours remaining, 210.746094 MB of memory in use. ENERGY: 2774400 763.0297 2058.0017 1966.0518 117.1719 -206311.0462 18044.2113 0.0000 0.0000 34215.2574 -149147.3223 298.8104 -183362.5798 -149048.4824 298.9525 -81.3508 -48.7326 560767.5077 13.0970 13.0636 PRESSURE: 2774600 3.2548 -139.663 136.592 -139.662 62.4846 -68.6788 136.593 -68.6769 -178.798 GPRESSURE: 2774600 8.78585 -129.678 121.329 -77.8245 159.977 -132.303 140.54 -35.91 -181.743 PRESSAVG: 2774600 -9.38814 -74.1984 14.5129 -74.1984 44.5366 -0.595816 14.513 -0.595875 -20.2809 GPRESSAVG: 2774600 -9.23318 -73.0792 15.7123 -76.6232 43.2061 2.42005 13.7307 -5.38037 -19.5501 TIMING: 2774600 CPU: 8040.78, 0.0029031/step Wall: 8040.78, 0.0029031/step, 1.7946 hours remaining, 210.746094 MB of memory in use. ENERGY: 2774600 737.3714 2113.2775 1968.3148 114.7378 -206450.0258 17974.0352 0.0000 0.0000 34415.5906 -149126.6986 300.5599 -183542.2892 -149030.7880 299.1011 -37.6863 -4.3268 557793.6761 4.9559 4.8076 PRESSURE: 2774800 -117.558 -103.494 60.6129 -103.494 160.848 121.215 60.6132 121.214 -110.119 GPRESSURE: 2774800 -113.507 -1.05332 81.6978 -112.802 196.614 127.313 55.0477 81.159 -55.6569 PRESSAVG: 2774800 -61.7347 3.8389 -21.0503 3.8389 71.1635 46.2246 -21.0503 46.2246 -9.20592 GPRESSAVG: 2774800 -60.3561 4.12339 -23.7625 4.55228 70.0522 44.293 -21.3035 47.7936 -9.69595 TIMING: 2774800 CPU: 8041.36, 0.00289997/step Wall: 8041.36, 0.00289997/step, 1.7925 hours remaining, 210.746094 MB of memory in use. ENERGY: 2774800 734.3627 2084.4205 1926.1283 118.9915 -206096.5542 17790.7701 0.0000 0.0000 34299.4055 -149142.4756 299.5452 -183441.8811 -149045.8644 299.9162 -22.2763 9.1500 558074.3046 0.0743 0.0001 PRESSURE: 2775000 -174.586 -42.3795 4.40457 -42.3794 80.4656 165.019 4.40408 165.019 187.361 GPRESSURE: 2775000 -115.241 31.5441 42.2222 -56.8941 75.0411 150.365 -55.7771 138.591 226.236 PRESSAVG: 2775000 -83.196 -1.71866 13.9448 -1.71869 -10.8365 29.3069 13.9447 29.3072 113.426 GPRESSAVG: 2775000 -83.6822 -0.964504 15.5939 -4.30973 -9.93263 29.4917 14.9903 29.6649 113.272 TIMING: 2775000 CPU: 8041.94, 0.00291817/step Wall: 8041.94, 0.00291817/step, 1.80359 hours remaining, 210.746094 MB of memory in use. ENERGY: 2775000 723.9762 2106.8051 1921.5969 113.7628 -206253.4706 18069.3275 0.0000 0.0000 34228.4790 -149089.5230 298.9258 -183318.0020 -149000.7088 298.7393 31.0803 62.0120 560869.3835 6.4644 6.5523 PRESSURE: 2775200 -208.491 -117.584 -104.542 -117.583 -145.022 107.258 -104.541 107.256 57.6533 GPRESSURE: 2775200 -117.992 -71.8018 -29.5069 -175.504 -88.6654 114.823 -53.909 168.234 31.6865 PRESSAVG: 2775200 -30.4617 -65.093 29.6375 -65.093 20.6309 53.1107 29.6375 53.1107 9.56216 GPRESSAVG: 2775200 -29.5205 -66.1007 29.8496 -64.1495 19.7724 50.3413 29.9838 54.7165 9.45162 TIMING: 2775200 CPU: 8042.52, 0.00291007/step Wall: 8042.52, 0.00291007/step, 1.79843 hours remaining, 210.746094 MB of memory in use. ENERGY: 2775200 747.6954 2105.6861 1965.0951 115.2913 -206118.9060 17832.3526 0.0000 0.0000 34166.7842 -149186.0013 298.3870 -183352.7855 -149096.6439 299.1607 -98.6198 -58.3237 559295.0920 -0.0895 -0.0988 PRESSURE: 2775400 -308.603 -68.1434 45.331 -68.1428 -119.084 -21.5104 45.3313 -21.5104 -185.429 GPRESSURE: 2775400 -292.721 -18.9679 43.9835 -25.004 -35.6026 -50.6762 18.0418 23.3585 -180.177 PRESSAVG: 2775400 -20.5631 18.8952 33.1639 18.8952 10.8428 11.8874 33.1638 11.8873 -4.8355 GPRESSAVG: 2775400 -21.5819 19.0959 31.2917 20.5558 11.8259 12.4396 34.5699 10.7197 -4.85238 TIMING: 2775400 CPU: 8043.1, 0.00289962/step Wall: 8043.1, 0.00289962/step, 1.79181 hours remaining, 210.746094 MB of memory in use. ENERGY: 2775400 735.6407 2058.7717 1960.8669 119.9478 -206046.7231 17599.3681 0.0000 0.0000 34291.4288 -149280.6990 299.4756 -183572.1278 -149177.7638 299.1695 -204.3720 -169.5000 558464.3087 -4.8520 -4.8695 PRESSURE: 2775600 37.485 -6.0532 -113.188 -6.0531 -351.606 -138.034 -113.188 -138.033 118.412 GPRESSURE: 2775600 92.4111 -40.187 -162.953 3.76096 -337.306 -90.3083 -185.78 -141.003 144.858 PRESSAVG: 2775600 85.0907 39.7804 5.79477 39.7804 -43.2937 31.1099 5.79483 31.11 -28.3907 GPRESSAVG: 2775600 85.964 39.9252 7.08947 39.6026 -44.3958 31.7636 6.65078 31.6581 -28.4832 TIMING: 2775600 CPU: 8043.68, 0.00289147/step Wall: 8043.68, 0.00289147/step, 1.78661 hours remaining, 210.746094 MB of memory in use. ENERGY: 2775600 720.5885 2100.7256 1951.9318 114.5114 -206108.1538 17701.6766 0.0000 0.0000 34253.4309 -149265.2889 299.1437 -183518.7198 -149172.5131 299.1911 -65.2362 -33.3456 558168.5344 4.4687 4.3617 PRESSURE: 2775800 -192.619 -173.498 13.1941 -173.499 -62.7717 48.3865 13.1924 48.388 26.2534 GPRESSURE: 2775800 -118.489 -54.3177 -13.3734 -208.07 14.5848 61.069 31.5227 63.8172 -23.2881 PRESSAVG: 2775800 23.6408 21.3808 -30.923 21.3807 -0.696259 17.1599 -30.923 17.1598 -16.604 GPRESSAVG: 2775800 22.9808 19.7615 -30.8703 22.7377 0.417206 16.9678 -31.7104 17.1504 -16.9409 TIMING: 2775800 CPU: 8044.26, 0.00289054/step Wall: 8044.26, 0.00289054/step, 1.78587 hours remaining, 210.746094 MB of memory in use. ENERGY: 2775800 748.2765 2121.8589 1923.1617 108.1149 -206195.7767 17705.0479 0.0000 0.0000 34198.4619 -149390.8548 298.6637 -183589.3167 -149298.3988 298.6551 -76.3793 -42.3974 557430.4487 2.1135 2.1524 PRESSURE: 2776000 -467.238 64.3465 -3.28194 64.3462 8.80775 20.6348 -3.2808 20.6364 -330.202 GPRESSURE: 2776000 -490.253 52.4428 -27.3405 114.558 38.9221 45.0447 53.7721 120.134 -246.842 PRESSAVG: 2776000 -6.16926 24.0786 -33.1516 24.0786 -66.9312 -4.93227 -33.1515 -4.93228 47.4029 GPRESSAVG: 2776000 -6.68744 24.883 -33.91 23.0445 -67.314 -4.50192 -33.9917 -6.54675 48.1365 TIMING: 2776000 CPU: 8044.84, 0.00291124/step Wall: 8044.84, 0.00291124/step, 1.7985 hours remaining, 210.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2776000 783.2031 2125.4501 1947.6889 122.0606 -206191.3340 17767.0609 0.0000 0.0000 34127.1942 -149318.6762 298.0413 -183445.8704 -149226.3108 298.4449 -262.8774 -232.7245 558502.4527 -8.5658 -8.6217 PRESSURE: 2776200 -215.183 -87.4876 154.953 -87.4883 -297.035 82.2654 154.954 82.2635 -282.605 GPRESSURE: 2776200 -236.351 54.0527 42.3541 -159.168 -325.559 32.2566 162.652 36.6014 -134.544 PRESSAVG: 2776200 -70.9098 -5.94746 -66.0224 -5.94754 58.5341 -34.8958 -66.0223 -34.8958 -11.251 GPRESSAVG: 2776200 -70.6415 -4.97787 -64.8752 -5.79046 58.1694 -35.1986 -66.4312 -34.7626 -10.8344 TIMING: 2776200 CPU: 8045.42, 0.00291149/step Wall: 8045.42, 0.00291149/step, 1.79849 hours remaining, 210.746094 MB of memory in use. ENERGY: 2776200 767.4608 2075.3747 1955.6275 124.5862 -206015.2402 17618.3160 0.0000 0.0000 34152.6148 -149321.2602 298.2633 -183473.8751 -149232.2059 298.9819 -264.9412 -232.1513 558102.6844 -7.8756 -7.7688 LDB: ============= START OF LOAD BALANCING ============== 8048.81 LDB: ============== END OF LOAD BALANCING =============== 8048.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8048.81 LDB: ============= START OF LOAD BALANCING ============== 8049.11 LDB: Largest compute 4820 load 0.026108 is 22.1% of average load 0.117913 LDB: Average compute 0.001752 is 1.5% of average load 0.117913 LDB: TIME 8049.11 LOAD: AVG 0.117913 MAX 0.180318 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.207 MB LDB: TIME 8049.11 LOAD: AVG 0.117913 MAX 0.180318 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.207 MB LDB: TIME 8049.11 LOAD: AVG 0.117913 MAX 0.180318 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8049.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8049.11 PRESSURE: 2776400 95.0842 22.1844 -4.74328 22.1855 235.144 101.084 -4.74165 101.084 34.9098 GPRESSURE: 2776400 95.1311 -41.9689 -0.598165 58.5936 289.18 49.3655 73.6924 163.394 99.8438 PRESSAVG: 2776400 3.7095 -33.8175 6.55253 -33.8174 14.0201 6.66345 6.55255 6.66341 -54.4825 GPRESSAVG: 2776400 3.63431 -34.8281 7.57289 -33.922 15.7069 7.29753 4.57941 7.59016 -55.6171 TIMING: 2776400 CPU: 8046.02, 0.00296959/step Wall: 8046.02, 0.00296959/step, 1.83421 hours remaining, 209.835938 MB of memory in use. ENERGY: 2776400 720.0066 2077.4156 1941.0973 111.2841 -206402.5757 17940.3822 0.0000 0.0000 34194.4673 -149417.9225 298.6288 -183612.3897 -149324.3327 298.9020 121.7126 161.3849 557000.1950 -12.2510 -12.0919 PRESSURE: 2776600 -144.267 -91.3063 48.7522 -91.3057 -163.057 -31.6497 48.7515 -31.6495 -133.353 GPRESSURE: 2776600 -94.5059 -115.272 -55.4025 -50.5428 -118.209 -15.6524 -18.816 -91.723 -128.848 PRESSAVG: 2776600 -3.49296 -31.6742 -31.5839 -31.6742 58.8491 -12.4792 -31.584 -12.4792 -19.3226 GPRESSAVG: 2776600 -3.25736 -31.1163 -33.6965 -29.9441 57.0249 -12.6119 -27.9883 -13.4257 -17.5337 TIMING: 2776600 CPU: 8046.6, 0.00290103/step Wall: 8046.6, 0.00290103/step, 1.79171 hours remaining, 209.835938 MB of memory in use. ENERGY: 2776600 735.7193 2128.2900 1954.3937 106.9936 -205937.8041 17600.6449 0.0000 0.0000 34135.6045 -149276.1581 298.1147 -183411.7626 -149177.5781 299.2569 -146.8923 -113.8543 557475.5622 12.0112 12.0779 PRESSURE: 2776800 79.4531 -110.416 -5.06981 -110.416 318.258 -186.252 -5.0692 -186.249 49.8479 GPRESSURE: 2776800 128.011 -63.1007 -140.648 -108.583 306.283 -226.823 20.8364 -230.845 95.218 PRESSAVG: 2776800 -21.2867 -23.1368 -9.88899 -23.1368 6.24606 7.92633 -9.88905 7.92639 -27.2357 GPRESSAVG: 2776800 -20.9827 -22.8897 -7.96137 -25.6288 6.47855 7.03009 -13.5229 8.17347 -27.0169 TIMING: 2776800 CPU: 8047.18, 0.00290662/step Wall: 8047.18, 0.00290662/step, 1.795 hours remaining, 209.835938 MB of memory in use. ENERGY: 2776800 732.3287 2170.7916 1935.9345 119.0040 -206822.7165 18038.3255 0.0000 0.0000 34528.8043 -149297.5279 301.5486 -183826.3321 -149194.2825 299.3581 149.1863 176.5040 558313.0731 -14.0921 -13.8403 PRESSURE: 2777000 -276.755 42.4256 89.5194 42.4264 -341.693 46.2234 89.5195 46.2268 5.82156 GPRESSURE: 2777000 -232.451 -98.5638 81.0492 48.9635 -364.259 66.2573 125.788 48.2409 80.8772 PRESSAVG: 2777000 -132.781 -15.4489 27.6995 -15.4488 10.4031 39.9327 27.6996 39.9329 51.7079 GPRESSAVG: 2777000 -133.517 -16.9337 27.3103 -14.3559 10.3989 41.9201 30.6537 38.2647 52.494 TIMING: 2777000 CPU: 8047.76, 0.00289615/step Wall: 8047.76, 0.00289615/step, 1.78837 hours remaining, 209.835938 MB of memory in use. ENERGY: 2777000 740.2385 2119.0196 1991.6441 114.2523 -206187.4747 17678.6269 0.0000 0.0000 34163.8039 -149379.8894 298.3610 -183543.6933 -149289.2114 298.5138 -204.2088 -171.9443 558416.2773 -23.5568 -23.5414 PRESSURE: 2777200 -39.0811 204.971 86.2843 204.97 40.7182 -27.8801 86.2851 -27.88 31.3639 GPRESSURE: 2777200 3.46488 132.98 82.7119 217.516 52.3331 -35.5393 74.7067 16.8569 74.4851 PRESSAVG: 2777200 -46.1355 40.0331 18.949 40.033 62.9773 75.733 18.9492 75.733 -37.875 GPRESSAVG: 2777200 -45.551 42.1839 19.4509 39.3225 63.9518 76.901 18.6467 77.8619 -39.6495 TIMING: 2777200 CPU: 8048.33, 0.00287802/step Wall: 8048.33, 0.00287802/step, 1.77702 hours remaining, 209.835938 MB of memory in use. ENERGY: 2777200 804.0241 2167.7891 1932.3587 123.5866 -207033.0295 18115.9589 0.0000 0.0000 34361.4493 -149527.8628 300.0871 -183889.3121 -149426.6736 298.8445 11.0004 43.4277 557068.1471 -7.0110 -7.0829 PRESSURE: 2777400 8.48297 -24.9977 62.2397 -24.9974 191.84 13.332 62.239 13.3308 207.9 GPRESSURE: 2777400 -0.00362954 -44.2416 -38.6677 -6.31557 275.72 -7.20476 139.965 70.6684 225.331 PRESSAVG: 2777400 21.1671 8.89264 46.5621 8.89262 -32.6577 21.3682 46.562 21.3682 -44.8522 GPRESSAVG: 2777400 21.0675 8.75335 44.9617 9.63319 -32.5545 20.6151 47.3299 22.0745 -44.6429 TIMING: 2777400 CPU: 8048.91, 0.00288925/step Wall: 8048.91, 0.00288925/step, 1.78379 hours remaining, 209.835938 MB of memory in use. ENERGY: 2777400 754.5495 2091.1819 1954.3821 119.0503 -206524.4658 18073.3235 0.0000 0.0000 34191.4364 -149340.5421 298.6023 -183531.9785 -149252.7415 299.4081 136.0743 167.0158 557702.3560 -18.7809 -18.7100 PRESSURE: 2777600 -381.578 37.3302 -128.638 37.3299 -24.8066 -27.7219 -128.637 -27.7228 -128.411 GPRESSURE: 2777600 -284.594 58.1039 -198.158 33.2607 -48.4182 -24.0529 -117.563 44.1223 -100.665 PRESSAVG: 2777600 -2.95638 50.4916 -23.6654 50.4916 51.2866 34.4984 -23.6654 34.4984 -3.8459 GPRESSAVG: 2777600 -4.00226 51.422 -24.7057 50.7578 52.4118 33.7937 -23.9687 33.3795 -4.55608 TIMING: 2777600 CPU: 8049.49, 0.00289523/step Wall: 8049.49, 0.00289523/step, 1.78732 hours remaining, 209.835938 MB of memory in use. ENERGY: 2777600 782.9842 2095.7775 1981.3853 111.9420 -206352.2498 17741.6761 0.0000 0.0000 34338.4302 -149300.0545 299.8861 -183638.4848 -149194.3452 298.9815 -178.2653 -144.5591 556892.2153 14.8281 14.6178 PRESSURE: 2777800 -351.506 10.4808 -126.867 10.4808 -224.656 -11.595 -126.867 -11.5958 -350 GPRESSURE: 2777800 -402.11 91.0669 -126.571 -35.7319 -178.254 -2.51762 -98.4741 -56.5548 -241.378 PRESSAVG: 2777800 33.3146 8.06003 32.8936 8.06008 0.951725 15.5413 32.8936 15.5414 16.7407 GPRESSAVG: 2777800 34.3781 7.71957 33.8081 7.83326 -0.248306 13.9475 33.3897 16.3661 16.4401 TIMING: 2777800 CPU: 8050.07, 0.00289711/step Wall: 8050.07, 0.00289711/step, 1.78832 hours remaining, 209.835938 MB of memory in use. ENERGY: 2777800 781.4358 2109.0465 1982.1423 103.2365 -206118.0005 17528.3093 0.0000 0.0000 34155.0052 -149458.8249 298.2842 -183613.8301 -149361.0573 299.2323 -308.7205 -273.9139 557330.2342 17.0023 16.8566 PRESSURE: 2778000 97.7262 -61.1736 53.9624 -61.1741 142.469 184.149 53.963 184.149 -79.021 GPRESSURE: 2778000 201.006 -2.92171 144.534 -94.979 176.381 230.464 0.875781 127.025 -107.933 PRESSAVG: 2778000 -28.6088 15.0457 -17.1767 15.0457 28.7134 23.3032 -17.1767 23.3032 -37.4812 GPRESSAVG: 2778000 -29.4826 14.8402 -16.8511 14.1458 27.5897 23.2613 -17.6051 23.3693 -35.5531 TIMING: 2778000 CPU: 8050.65, 0.00290035/step Wall: 8050.65, 0.00290035/step, 1.79016 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2778000 740.8305 2180.4050 1966.8465 112.0225 -206812.4395 18051.0298 0.0000 0.0000 34145.7954 -149615.5098 298.2037 -183761.3052 -149516.4966 299.3853 53.7247 89.8180 556924.7788 -12.4589 -12.4820 PRESSURE: 2778200 -17.2028 -28.0283 13.7687 -28.0285 125.937 91.0167 13.768 91.0162 149.896 GPRESSURE: 2778200 16.784 -93.4262 40.2776 52.4488 150.752 101.113 22.4144 145.127 173.743 PRESSAVG: 2778200 29.8107 -20.7469 7.22359 -20.747 1.49564 47.6298 7.22358 47.6297 19.4901 GPRESSAVG: 2778200 30.87 -19.5468 7.66458 -20.7554 2.48221 47.8953 6.39849 47.8885 17.2549 TIMING: 2778200 CPU: 8051.23, 0.00289138/step Wall: 8051.23, 0.00289138/step, 1.78447 hours remaining, 209.835938 MB of memory in use. ENERGY: 2778200 729.2055 2094.8961 1933.7819 104.4250 -206318.9099 17865.4210 0.0000 0.0000 34151.5376 -149439.6429 298.2539 -183591.1805 -149342.7705 298.3724 86.2099 113.7598 556039.7355 16.9322 16.8691 PRESSURE: 2778400 -123.265 140.984 65.6779 140.984 -392.07 -146.837 65.6785 -146.838 -287.242 GPRESSURE: 2778400 -50.0445 109.441 79.5058 48.4849 -389.113 -88.0807 52.5865 -147.601 -252.5 PRESSAVG: 2778400 9.04807 7.3153 29.1133 7.31529 41.3388 19.5314 29.1132 19.5315 -50.4769 GPRESSAVG: 2778400 8.66964 7.01501 28.8275 7.42083 40.8415 22.4274 30.5615 19.0358 -49.5708 TIMING: 2778400 CPU: 8051.81, 0.00289908/step Wall: 8051.81, 0.00289908/step, 1.78905 hours remaining, 209.835938 MB of memory in use. ENERGY: 2778400 751.3197 2119.2924 1934.7328 114.4083 -205887.5810 17563.1612 0.0000 0.0000 34164.6820 -149239.9847 298.3687 -183404.6668 -149142.8994 298.8223 -267.5258 -230.5525 559482.9398 -0.0300 -0.0199 PRESSURE: 2778600 -86.69 -113.551 43.0244 -113.551 -33.1386 -9.02056 43.0233 -9.02025 2.9323 GPRESSURE: 2778600 2.71237 -123.352 44.4677 -121.289 -11.5311 -99.2096 87.1836 53.2702 -13.1797 PRESSAVG: 2778600 10.9326 4.16463 5.24446 4.16457 8.21807 -0.830446 5.24442 -0.830472 -1.52021 GPRESSAVG: 2778600 10.6874 5.54775 6.43509 3.98492 7.96932 -2.7872 3.62742 -1.11792 -1.27807 TIMING: 2778600 CPU: 8052.39, 0.00288841/step Wall: 8052.39, 0.00288841/step, 1.78231 hours remaining, 209.835938 MB of memory in use. ENERGY: 2778600 747.0465 2088.8301 1929.1172 123.1683 -206312.9577 17880.8406 0.0000 0.0000 34315.8138 -149228.1412 299.6885 -183543.9550 -149131.0774 298.7299 -38.9654 -7.3328 558010.0119 5.8768 5.7929 PRESSURE: 2778800 140.043 205.878 -8.64768 205.877 -184.229 -16.792 -8.64806 -16.7923 11.615 GPRESSURE: 2778800 142.821 170.784 -55.9546 199.462 -195.304 -94.3699 -17.8996 40.9255 120.177 PRESSAVG: 2778800 -11.8023 1.93339 -16.723 1.93343 -8.62104 -63.294 -16.7229 -63.2941 -7.84055 GPRESSAVG: 2778800 -11.2021 0.0730169 -17.9935 2.97435 -8.71957 -64.1693 -16.4765 -63.4327 -8.08753 TIMING: 2778800 CPU: 8052.97, 0.0029041/step Wall: 8052.97, 0.0029041/step, 1.79183 hours remaining, 209.835938 MB of memory in use. ENERGY: 2778800 733.5448 2088.0596 1947.1183 114.9341 -205816.6979 17569.9675 0.0000 0.0000 34172.2791 -149190.7944 298.4350 -183363.0736 -149099.5804 299.1998 -10.8569 22.5646 557146.2917 -9.4213 -9.3364 PRESSURE: 2779000 -183.301 12.6832 -69.8051 12.6833 -70.515 20.6844 -69.8059 20.6849 -43.7339 GPRESSURE: 2779000 -138.068 -23.5796 -141.117 -27.8557 -52.8848 -21.5303 -41.3236 45.8791 -23.466 PRESSAVG: 2779000 -0.864172 -9.78787 -13.5484 -9.78789 3.48085 -59.2408 -13.5483 -59.2409 -29.6746 GPRESSAVG: 2779000 -2.19859 -8.70018 -12.9618 -10.5889 4.18781 -59.2269 -13.5178 -58.7727 -29.1691 TIMING: 2779000 CPU: 8053.55, 0.00289372/step Wall: 8053.55, 0.00289372/step, 1.78527 hours remaining, 209.835938 MB of memory in use. ENERGY: 2779000 722.0108 2137.3440 1957.5538 110.2539 -205678.0401 17531.3314 0.0000 0.0000 33916.8658 -149302.6804 296.2044 -183219.5462 -149204.8441 299.2463 -99.1834 -71.4729 557343.5084 -9.0193 -9.0600 PRESSURE: 2779200 -111.616 87.7548 67.7709 87.7551 -161.628 67.8093 67.7704 67.81 201.467 GPRESSURE: 2779200 -72.4366 18.0499 145.336 99.781 -94.4246 2.24468 49.0929 68.0763 191.095 PRESSAVG: 2779200 -39.921 -5.57406 11.9784 -5.57406 -34.6728 -12.6231 11.9784 -12.6232 41.0556 GPRESSAVG: 2779200 -38.8833 -6.30916 11.4957 -4.32231 -35.4568 -11.8058 12.2559 -11.8996 41.2074 TIMING: 2779200 CPU: 8054.13, 0.00289399/step Wall: 8054.13, 0.00289399/step, 1.78527 hours remaining, 209.835938 MB of memory in use. ENERGY: 2779200 752.1751 2112.7647 1948.1797 113.2002 -206489.4302 17877.9612 0.0000 0.0000 34335.7462 -149349.4030 299.8626 -183685.1493 -149258.8474 298.4933 -23.9257 8.0780 555904.5252 -11.1794 -11.0442 PRESSURE: 2779400 -231.956 -35.5035 39.3367 -35.5033 -297.353 64.4491 39.336 64.4486 -58.2694 GPRESSURE: 2779400 -235.275 37.1829 74.9127 -23.9067 -236.077 -45.2509 -32.7469 150.599 -28.4359 PRESSAVG: 2779400 -14.2118 -19.7212 2.81981 -19.7213 16.7147 -24.885 2.81983 -24.885 -4.91055 GPRESSAVG: 2779400 -14.1498 -20.2821 2.00633 -19.9083 16.6488 -25.7047 4.1059 -23.7997 -4.25336 TIMING: 2779400 CPU: 8054.7, 0.00289687/step Wall: 8054.7, 0.00289687/step, 1.78688 hours remaining, 209.835938 MB of memory in use. ENERGY: 2779400 755.5298 2094.5005 1961.9576 112.5326 -205765.1935 17369.7832 0.0000 0.0000 34212.4667 -149258.4231 298.7860 -183470.8897 -149157.2574 298.9597 -195.8595 -166.5961 556958.1890 -0.8025 -0.5848 PRESSURE: 2779600 -184.733 -6.25547 -212.711 -6.2564 188.537 5.43198 -212.712 5.43308 -47.7964 GPRESSURE: 2779600 -122.787 -25.3495 -156.388 -82.4517 218.497 -32.4207 -183.87 -1.19235 -48.4332 PRESSAVG: 2779600 -24.5483 -24.303 1.66144 -24.3031 11.2632 -3.37308 1.66143 -3.37316 19.6306 GPRESSAVG: 2779600 -24.6409 -24.2129 2.89136 -23.8241 12.6512 -2.81499 0.733485 -4.10405 18.4653 TIMING: 2779600 CPU: 8055.28, 0.0028801/step Wall: 8055.28, 0.0028801/step, 1.77638 hours remaining, 209.835938 MB of memory in use. ENERGY: 2779600 786.4826 2101.2570 1993.2150 114.0413 -206545.8672 17899.5241 0.0000 0.0000 34419.1880 -149232.1592 300.5913 -183651.3472 -149135.8601 298.8889 -14.6643 15.7588 555532.4331 2.1151 2.1585 PRESSURE: 2779800 -123.119 -1.8 6.26089 -1.80079 -149.051 -91.412 6.26137 -91.4125 -306.631 GPRESSURE: 2779800 -110.206 13.951 30.8003 -49.5803 -41.5327 -75.5772 -75.6168 -64.46 -315.183 PRESSAVG: 2779800 50.0725 -63.7004 7.98038 -63.7004 -36.2967 -76.631 7.98045 -76.6311 -47.8365 GPRESSAVG: 2779800 49.0579 -64.0672 8.48024 -64.6195 -36.2512 -76.9086 8.46118 -78.8039 -46.3896 TIMING: 2779800 CPU: 8055.86, 0.00288797/step Wall: 8055.86, 0.00288797/step, 1.78108 hours remaining, 209.835938 MB of memory in use. ENERGY: 2779800 753.6624 2070.0790 1946.4060 109.2306 -205950.5823 17423.2155 0.0000 0.0000 34190.9959 -149456.9930 298.5985 -183647.9889 -149363.1573 298.0432 -192.9340 -155.6405 558063.7191 -11.3536 -11.1943 PRESSURE: 2780000 -41.6986 117.54 -23.9117 117.541 -83.2649 -25.4526 -23.9123 -25.4532 -191.125 GPRESSURE: 2780000 23.7576 96.8773 -10.3956 76.4653 -67.7972 25.8731 -103.277 50.3976 -172.499 PRESSAVG: 2780000 16.1294 -29.5858 59.7099 -29.5858 64.0832 -30.9283 59.71 -30.9283 -58.2293 GPRESSAVG: 2780000 17.8275 -27.8409 60.1987 -30.9593 63.5833 -29.5247 58.5824 -29.5779 -59.7451 TIMING: 2780000 CPU: 8056.44, 0.00290926/step Wall: 8056.44, 0.00290926/step, 1.79405 hours remaining, 209.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2780000 777.1035 2079.0009 1952.0321 119.5589 -206494.7697 17839.8303 0.0000 0.0000 34169.0146 -149558.2294 298.4065 -183727.2439 -149465.2722 298.4707 -105.3628 -72.1794 558237.1037 7.3278 7.2219 PRESSURE: 2780200 179.251 35.6131 -68.6367 35.6128 -212.034 -14.6141 -68.6362 -14.6145 -218.613 GPRESSURE: 2780200 150.423 64.6536 -42.8372 -3.46159 -164.993 -92.5303 -80.2109 48.6219 -137.07 PRESSAVG: 2780200 -0.117854 -48.0704 1.17527 -48.0702 -2.90444 15.3549 1.17529 15.355 -48.4414 GPRESSAVG: 2780200 0.820137 -48.3055 0.316676 -46.5043 -4.36558 13.0542 0.855478 16.2104 -47.4856 TIMING: 2780200 CPU: 8057.02, 0.00287668/step Wall: 8057.02, 0.00287668/step, 1.77379 hours remaining, 209.890625 MB of memory in use. ENERGY: 2780200 775.1300 2113.2759 1966.5086 119.8915 -206477.2167 17719.5581 0.0000 0.0000 34259.6354 -149523.2173 299.1979 -183782.8527 -149428.3306 298.3597 -83.7989 -50.5467 558001.2462 -17.1546 -17.0103 LDB: ============= START OF LOAD BALANCING ============== 8060.4 LDB: ============== END OF LOAD BALANCING =============== 8060.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8060.4 LDB: ============= START OF LOAD BALANCING ============== 8060.69 LDB: Largest compute 4820 load 0.025943 is 22.0% of average load 0.117990 LDB: Average compute 0.001760 is 1.5% of average load 0.117990 LDB: TIME 8060.69 LOAD: AVG 0.11799 MAX 0.181209 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.746 MB LDB: TIME 8060.69 LOAD: AVG 0.11799 MAX 0.181209 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.746 MB LDB: TIME 8060.69 LOAD: AVG 0.11799 MAX 0.181209 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8060.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8060.7 PRESSURE: 2780400 0.749234 32.506 -61.3869 32.5067 117.344 -57.3175 -61.3871 -57.3143 107.067 GPRESSURE: 2780400 47.059 -46.0331 -15.8195 118.544 68.8354 -17.9105 7.22211 -15.7384 202.966 PRESSAVG: 2780400 29.4047 -13.776 41.2641 -13.7759 -4.87334 -7.14147 41.2642 -7.14142 -6.21059 GPRESSAVG: 2780400 27.2768 -14.1726 41.6402 -12.7755 -4.20679 -6.87215 45.1426 -7.01363 -5.51307 TIMING: 2780400 CPU: 8057.6, 0.00292921/step Wall: 8057.6, 0.00292921/step, 1.80602 hours remaining, 209.003906 MB of memory in use. ENERGY: 2780400 777.9775 2139.3863 1941.9311 120.2089 -206677.9741 18045.3476 0.0000 0.0000 34074.0872 -149579.0355 297.5775 -183653.1227 -149484.3242 297.7332 75.0534 106.2868 555953.5999 6.1069 5.8523 PRESSURE: 2780600 -59.3782 -163.644 -54.5186 -163.644 50.3431 -74.6605 -54.5186 -74.6602 -140.113 GPRESSURE: 2780600 -23.7769 -188.16 -4.28552 -171.074 42.7403 -34.0005 -17.4455 -160.322 -74.7902 PRESSAVG: 2780600 -9.51652 -56.9412 9.20099 -56.9412 26.1669 24.3702 9.20102 24.3702 -71.3883 GPRESSAVG: 2780600 -8.44825 -56.8982 9.17374 -59.4879 27.6688 24.4997 7.53341 24.313 -73.3551 TIMING: 2780600 CPU: 8058.18, 0.00290086/step Wall: 8058.18, 0.00290085/step, 1.78838 hours remaining, 209.003906 MB of memory in use. ENERGY: 2780600 705.7813 2132.6417 1954.7973 111.2249 -206125.0432 17719.8914 0.0000 0.0000 34015.0344 -149485.6721 297.0618 -183500.7065 -149393.2097 298.1092 -49.7160 -18.6089 557653.6670 -18.2460 -18.0448 PRESSURE: 2780800 49.5778 -110.485 11.9849 -110.485 -130.583 -121.602 11.9839 -121.601 -242.21 GPRESSURE: 2780800 58.2135 -137.99 89.4584 -124.947 -80.8189 -165.53 -39.1235 -49.5243 -196.745 PRESSAVG: 2780800 -41.0157 -31.8331 38.4175 -31.833 5.21351 13.6356 38.4175 13.6357 41.5616 GPRESSAVG: 2780800 -40.3618 -31.8733 35.5593 -29.9861 2.38018 11.5384 39.5589 15.1485 42.8292 TIMING: 2780800 CPU: 8058.76, 0.00289708/step Wall: 8058.76, 0.00289708/step, 1.78589 hours remaining, 209.003906 MB of memory in use. ENERGY: 2780800 752.7060 2086.6686 1966.5257 113.0820 -206134.0032 17610.0875 0.0000 0.0000 34287.6277 -149317.3056 299.4424 -183604.9334 -149221.6000 298.7938 -107.7385 -73.1169 558102.9170 1.9198 1.6158 PRESSURE: 2781000 12.2832 139.976 163.542 139.975 -19.6892 68.8412 163.542 68.8414 11.6253 GPRESSURE: 2781000 23.4757 148.562 173.922 100.336 27.9674 28.237 212.299 104.583 42.2479 PRESSAVG: 2781000 19.6062 37.0375 19.3425 37.0375 -16.7718 40.9577 19.3424 40.9575 0.672944 GPRESSAVG: 2781000 18.4318 37.2958 20.9821 37.2008 -15.0365 44.5325 18.8007 38.2232 0.487259 TIMING: 2781000 CPU: 8059.34, 0.00290598/step Wall: 8059.34, 0.00290598/step, 1.79121 hours remaining, 209.003906 MB of memory in use. ENERGY: 2781000 757.1850 2069.5390 1943.3215 117.5419 -205970.0903 17696.9585 0.0000 0.0000 34134.9246 -149250.6198 298.1088 -183385.5444 -149156.3394 298.8406 1.4064 31.2303 557339.9230 1.1691 1.2942 PRESSURE: 2781200 -160.826 -21.4823 98.985 -21.4836 -46.5379 -16.1835 98.9853 -16.1839 -78.0635 GPRESSURE: 2781200 -131.635 97.3506 88.2577 -99.4385 -5.04111 -73.1034 125.447 33.3478 -65.5151 PRESSAVG: 2781200 -40.763 7.90728 -11.7283 7.90726 17.8125 8.37155 -11.7283 8.37163 6.31176 GPRESSAVG: 2781200 -39.9339 7.90201 -11.6166 7.22987 17.7609 7.6082 -13.3558 8.40263 5.70427 TIMING: 2781200 CPU: 8059.93, 0.00292305/step Wall: 8059.93, 0.00292305/step, 1.80158 hours remaining, 209.003906 MB of memory in use. ENERGY: 2781200 752.7713 2127.3415 1968.8744 124.2550 -206429.6532 17721.5005 0.0000 0.0000 34599.8992 -149135.0114 302.1695 -183734.9106 -149034.4078 299.5370 -95.1425 -67.3970 557493.3713 -5.5463 -5.4896 PRESSURE: 2781400 95.6671 -67.7813 -249.224 -67.7809 40.9814 112.171 -249.223 112.173 -91.5316 GPRESSURE: 2781400 95.4989 -106.316 -184.171 -50.1605 114.007 196.742 -246.122 103.224 -77.4211 PRESSAVG: 2781400 14.0742 0.343687 -30.0559 0.343712 -4.09547 -6.88505 -30.0559 -6.88502 -22.1225 GPRESSAVG: 2781400 13.837 2.32653 -30.0389 -0.362936 -4.42952 -7.57316 -29.3519 -6.89415 -22.3018 TIMING: 2781400 CPU: 8060.5, 0.00288641/step Wall: 8060.5, 0.00288641/step, 1.77883 hours remaining, 209.003906 MB of memory in use. ENERGY: 2781400 738.7205 2112.9603 1939.7101 106.1517 -206519.1484 18046.5563 0.0000 0.0000 34498.5379 -149076.5116 301.2843 -183575.0495 -148980.1091 300.9048 15.0390 44.0284 557608.5200 -4.0479 -4.2981 PRESSURE: 2781600 -133.866 -137.765 -28.9955 -137.764 -192.143 71.8742 -28.9971 71.8743 -173.605 GPRESSURE: 2781600 -80.1816 -79.105 -49.5502 -207.254 -178.193 91.1276 -33.0892 52.9082 -143.439 PRESSAVG: 2781600 35.1016 -27.7107 8.31575 -27.7107 -2.89191 -6.19345 8.31573 -6.19339 -13.6098 GPRESSAVG: 2781600 35.111 -28.9601 10.32 -27.1733 -1.94612 -3.1581 8.07088 -5.98264 -14.4688 TIMING: 2781600 CPU: 8061.08, 0.00290265/step Wall: 8061.08, 0.00290265/step, 1.78868 hours remaining, 209.003906 MB of memory in use. ENERGY: 2781600 763.9816 2104.2996 1956.4564 107.1915 -205796.9566 17404.5041 0.0000 0.0000 34289.7731 -149170.7504 299.4611 -183460.5236 -149076.5146 299.5814 -166.5381 -133.9378 559120.3108 6.2000 6.2320 PRESSURE: 2781800 167.802 -42.1508 117.171 -42.1508 -67.9393 -24.3536 117.171 -24.3543 42.832 GPRESSURE: 2781800 197.648 -117.404 141.767 -48.4227 -46.6367 46.71 108.844 3.69211 90.4789 PRESSAVG: 2781800 54.4032 27.8553 32.0508 27.8552 -76.2553 32.03 32.0508 32.03 -8.66483 GPRESSAVG: 2781800 54.7278 26.3851 30.2119 27.975 -77.8018 29.8359 30.7615 31.8411 -7.296 TIMING: 2781800 CPU: 8061.67, 0.00292212/step Wall: 8061.67, 0.00292212/step, 1.80052 hours remaining, 209.003906 MB of memory in use. ENERGY: 2781800 744.3273 2133.8648 1942.5694 126.9497 -206280.8708 17807.5927 0.0000 0.0000 34263.5040 -149262.0630 299.2317 -183525.5670 -149169.0918 299.3334 47.5649 80.4967 558058.4241 -10.1723 -10.1233 PRESSURE: 2782000 153.975 36.5863 -47.7433 36.5867 143.932 -154.467 -47.7439 -154.466 -64.0508 GPRESSURE: 2782000 185.212 -8.45174 -111.513 63.6757 148.981 -222.853 -48.5113 -79.6874 -3.92354 PRESSAVG: 2782000 78.2748 11.1765 19.2661 11.1765 33.8036 -21.617 19.2661 -21.617 -31.7333 GPRESSAVG: 2782000 76.7609 11.8847 20.6859 11.6281 34.9779 -24.6873 20.8399 -19.3079 -31.2106 TIMING: 2782000 CPU: 8062.25, 0.00289722/step Wall: 8062.25, 0.00289722/step, 1.78501 hours remaining, 209.003906 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: 2782000 763.2396 2083.1535 1956.0092 129.8074 -206685.6868 18136.3997 0.0000 0.0000 34411.3565 -149205.7210 300.5229 -183617.0775 -149107.5976 299.5744 77.9523 110.0895 558709.9389 26.7817 26.8427 PRESSURE: 2782200 68.7434 -140.67 22.927 -140.669 -6.2391 -73.707 22.9266 -73.707 -207.097 GPRESSURE: 2782200 88.0845 -183.425 -8.56006 -118.691 -19.8179 -34.937 -9.71378 -55.262 -124.363 PRESSAVG: 2782200 -2.05814 -1.72707 33.9661 -1.727 65.8732 10.9511 33.966 10.9511 -38.1683 GPRESSAVG: 2782200 -2.00051 -1.18892 35.1825 -3.8126 66.2886 14.0501 33.453 9.89314 -38.6618 TIMING: 2782200 CPU: 8062.83, 0.00288815/step Wall: 8062.83, 0.00288815/step, 1.77926 hours remaining, 209.003906 MB of memory in use. ENERGY: 2782200 755.2971 2098.7291 1945.7290 109.8738 -206215.4051 17928.2712 0.0000 0.0000 34044.6627 -149332.8421 297.3205 -183377.5048 -149236.7679 300.1401 -48.1977 -18.6988 557460.9874 8.5489 8.5421 PRESSURE: 2782400 -23.1487 78.5689 146.863 78.569 -253.777 71.8682 146.862 71.868 -347.313 GPRESSURE: 2782400 1.78359 110.076 278.112 75.2414 -198.443 103.481 57.5047 72.2973 -335.764 PRESSAVG: 2782400 18.5591 9.1623 25.8585 9.16243 -15.1141 22.8092 25.8584 22.8092 14.1237 GPRESSAVG: 2782400 19.2305 10.097 25.3898 10.1204 -16.3994 20.9754 26.9381 22.4452 14.3233 TIMING: 2782400 CPU: 8063.41, 0.00290389/step Wall: 8063.41, 0.00290389/step, 1.7888 hours remaining, 209.003906 MB of memory in use. ENERGY: 2782400 717.1503 2115.8996 1944.4140 103.6822 -205688.8287 17341.3807 0.0000 0.0000 34269.6532 -149196.6487 299.2854 -183466.3019 -149093.2253 299.0114 -208.0796 -177.4747 557676.4378 5.8562 5.7182 PRESSURE: 2782600 245.841 9.2401 -73.3747 9.23832 52.1089 -48.1755 -73.3736 -48.1763 -45.3759 GPRESSURE: 2782600 230.474 2.22448 -107.098 16.0049 128.556 -216.879 -111.733 33.599 -9.12301 PRESSAVG: 2782600 33.0479 11.8068 -15.4764 11.8068 28.7936 -17.7876 -15.4763 -17.7876 -3.11845 GPRESSAVG: 2782600 32.8764 12.3696 -15.3269 12.1439 29.3707 -18.3508 -16.7257 -17.1855 -3.5721 TIMING: 2782600 CPU: 8063.98, 0.00288692/step Wall: 8063.98, 0.00288692/step, 1.77818 hours remaining, 209.003906 MB of memory in use. ENERGY: 2782600 790.4581 2130.2977 1935.0272 117.1282 -206553.2637 17901.6238 0.0000 0.0000 34469.7806 -149208.9481 301.0332 -183678.7286 -149114.2583 299.1551 84.1914 116.6358 555372.6627 19.5743 19.5584 PRESSURE: 2782800 -55.6211 123.312 92.4762 123.313 -58.6714 -54.0954 92.4758 -54.0962 -78.7045 GPRESSURE: 2782800 -12.3852 11.7279 167.494 111.642 -50.7852 -11.0233 61.0842 -95.4339 -34.1672 PRESSAVG: 2782800 19.0835 -38.0078 -55.9801 -38.0079 22.4135 -41.7506 -55.9801 -41.7507 -23.9338 GPRESSAVG: 2782800 17.9527 -41.8316 -55.0988 -38.4392 23.1173 -41.2979 -55.043 -41.8758 -24.0023 TIMING: 2782800 CPU: 8064.57, 0.00292759/step Wall: 8064.57, 0.00292759/step, 1.80307 hours remaining, 209.003906 MB of memory in use. ENERGY: 2782800 785.5284 2086.1763 1959.9421 122.4155 -206291.9735 17738.0084 0.0000 0.0000 34368.6566 -149231.2462 300.1500 -183599.9028 -149129.5774 299.0731 -64.3324 -32.4459 555654.5995 5.8544 5.6892 PRESSURE: 2783000 66.6757 33.6486 -126.594 33.6494 -34.3741 -68.3063 -126.595 -68.3071 -136.795 GPRESSURE: 2783000 62.0355 104.522 -75.012 -20.7599 -46.9612 -14.9847 -225.427 -150.634 -21.4159 PRESSAVG: 2783000 41.1681 -51.4262 -3.95777 -51.4261 -20.9732 -36.4454 -3.95772 -36.4454 -73.0878 GPRESSAVG: 2783000 41.2306 -50.144 -5.30856 -51.2706 -22.3788 -34.9242 -4.67316 -38.623 -71.862 TIMING: 2783000 CPU: 8065.15, 0.00289906/step Wall: 8065.15, 0.00289906/step, 1.78534 hours remaining, 209.003906 MB of memory in use. ENERGY: 2783000 755.2499 2139.4659 1948.0680 101.0639 -206140.6359 17852.6483 0.0000 0.0000 34143.3429 -149200.7971 298.1823 -183344.1400 -149101.6133 298.8557 -34.8312 -2.1139 558262.3057 -17.6310 -17.6701 PRESSURE: 2783200 -17.8914 40.8669 -116.541 40.8668 -191.521 15.2274 -116.541 15.2277 -138.237 GPRESSURE: 2783200 -40.6295 98.3255 -54.5094 86.5176 -143.068 10.072 -107.054 -12.8071 -67.2728 PRESSAVG: 2783200 -13.2546 37.2405 -11.755 37.2405 46.5507 10.1388 -11.755 10.1387 9.78191 GPRESSAVG: 2783200 -13.6708 38.1489 -10.3135 37.8322 47.6331 7.31577 -10.7494 12.3092 8.97779 TIMING: 2783200 CPU: 8065.74, 0.00293322/step Wall: 8065.74, 0.00293322/step, 1.80621 hours remaining, 209.003906 MB of memory in use. ENERGY: 2783200 770.7915 2069.9309 1950.7280 125.6539 -205701.8598 17513.7540 0.0000 0.0000 34298.7119 -148972.2896 299.5392 -183271.0014 -148871.5389 299.5834 -115.8831 -83.6567 557540.9756 14.3593 14.3133 PRESSURE: 2783400 -335.373 53.2351 -95.0835 53.2356 -212.21 -20.4275 -95.0846 -20.4284 -219.693 GPRESSURE: 2783400 -286.875 35.4614 -119.079 84.792 -162.704 -118.667 -44.4388 39.935 -210.209 PRESSAVG: 2783400 -21.6525 62.2956 -44.6703 62.2956 4.55038 -24.3074 -44.6704 -24.3075 -32.8796 GPRESSAVG: 2783400 -20.5092 59.6331 -44.5234 63.4379 2.97241 -22.535 -46.8206 -24.1922 -31.8787 TIMING: 2783400 CPU: 8066.32, 0.00290161/step Wall: 8066.32, 0.00290161/step, 1.78659 hours remaining, 209.003906 MB of memory in use. ENERGY: 2783400 743.1896 2128.5095 1980.9654 108.2291 -205967.7340 17510.5823 0.0000 0.0000 34362.9902 -149133.2679 300.1005 -183496.2581 -149026.8263 300.5700 -255.7585 -219.9294 557717.5919 -16.6606 -16.4718 PRESSURE: 2783600 162.368 95.6362 94.1774 95.6361 126.521 51.195 94.1772 51.1929 -251.915 GPRESSURE: 2783600 149.578 -26.8785 116.96 96.5816 203.061 -1.88874 65.5174 58.804 -212.329 PRESSAVG: 2783600 -22.1153 -32.7279 -58.4687 -32.7281 44.1156 -11.9118 -58.4687 -11.9118 -20.7605 GPRESSAVG: 2783600 -21.5053 -29.5704 -60.4834 -33.7107 45.1929 -11.7573 -56.4868 -12.6206 -22.9608 TIMING: 2783600 CPU: 8066.9, 0.00289729/step Wall: 8066.9, 0.00289729/step, 1.78377 hours remaining, 209.003906 MB of memory in use. ENERGY: 2783600 784.4475 2067.8836 1958.0478 111.2317 -206131.7064 17777.3605 0.0000 0.0000 34139.1216 -149293.6137 298.1454 -183432.7353 -149189.5998 299.8362 12.3247 46.7702 557428.4702 0.4133 0.2423 PRESSURE: 2783800 32.0317 -42.0187 -168.751 -42.0192 8.96346 -21.3367 -168.751 -21.3386 20.3303 GPRESSURE: 2783800 49.004 -17.8995 -221.022 -68.6589 61.6105 66.7119 -233.799 20.8544 55.4827 PRESSAVG: 2783800 -43.1955 -3.94164 5.23329 -3.94161 14.6046 -40.0146 5.23325 -40.0146 -14.9973 GPRESSAVG: 2783800 -44.1123 -4.08572 3.57756 -3.68215 15.4997 -36.6822 4.1979 -40.9339 -14.6791 TIMING: 2783800 CPU: 8067.47, 0.00287516/step Wall: 8067.47, 0.00287516/step, 1.76998 hours remaining, 209.003906 MB of memory in use. ENERGY: 2783800 763.7490 2049.9648 1948.3592 110.2286 -206265.8365 17910.4138 0.0000 0.0000 34342.9861 -149140.1351 299.9258 -183483.1211 -149049.6046 299.3563 20.4418 55.3658 557741.7955 -14.5294 -14.4306 PRESSURE: 2784000 -20.3359 185.771 86.3535 185.771 -165.324 2.61699 86.3546 2.61709 24.8609 GPRESSURE: 2784000 10.4828 106.374 63.6991 145.201 -94.4954 131.331 95.9237 -63.0218 8.9217 PRESSAVG: 2784000 3.52918 30.4347 -19.3086 30.4347 -30.8815 -11.8585 -19.3087 -11.8585 -41.0982 GPRESSAVG: 2784000 2.81736 29.5848 -15.6247 29.7762 -32.2351 -14.747 -20.1753 -10.7617 -39.9207 TIMING: 2784000 CPU: 8068.05, 0.00289408/step Wall: 8068.05, 0.00289408/step, 1.78147 hours remaining, 209.003906 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: 2784000 753.6687 2053.8073 1966.1372 115.5101 -206117.6544 17797.5625 0.0000 0.0000 34165.8586 -149265.1099 298.3789 -183430.9686 -149164.7303 299.3454 -53.5997 -25.0303 558807.5633 -22.8168 -23.1128 PRESSURE: 2784200 -154.97 -70.2066 97.0248 -70.2073 -158.846 22.7932 97.0247 22.7922 -615.136 GPRESSURE: 2784200 -154.655 -113.807 -7.93369 -75.7752 -107.768 107.091 157.601 45.0165 -567.193 PRESSAVG: 2784200 -29.1487 56.3593 -23.2528 56.3592 -3.89243 -13.9231 -23.2528 -13.9231 14.0299 GPRESSAVG: 2784200 -28.9173 55.9406 -27.3106 58.1252 -3.23716 -14.3181 -21.042 -11.8638 13.0097 TIMING: 2784200 CPU: 8068.63, 0.00289961/step Wall: 8068.63, 0.00289961/step, 1.78471 hours remaining, 209.003906 MB of memory in use. ENERGY: 2784200 765.5090 2069.8668 1929.3510 108.2083 -205969.1800 17562.2435 0.0000 0.0000 34097.1719 -149436.8295 297.7791 -183534.0014 -149337.5483 298.7395 -309.6507 -276.5388 559508.7196 -6.3371 -6.3816 LDB: ============= START OF LOAD BALANCING ============== 8072.01 LDB: ============== END OF LOAD BALANCING =============== 8072.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8072.01 LDB: ============= START OF LOAD BALANCING ============== 8072.3 LDB: Largest compute 4800 load 0.024898 is 21.1% of average load 0.117909 LDB: Average compute 0.001751 is 1.5% of average load 0.117909 LDB: TIME 8072.31 LOAD: AVG 0.117909 MAX 0.179682 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.645 MB LDB: TIME 8072.31 LOAD: AVG 0.117909 MAX 0.179682 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.848 MB LDB: TIME 8072.31 LOAD: AVG 0.117909 MAX 0.179682 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.848 MB LDB: ============== END OF LOAD BALANCING =============== 8072.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8072.31 PRESSURE: 2784400 216.352 -92.6774 38.0258 -92.6778 -61.3096 -166.829 38.0258 -166.826 -142.754 GPRESSURE: 2784400 267.308 -55.445 -22.3721 -103.806 -52.001 -107.278 -1.53747 -216.673 -105.399 PRESSAVG: 2784400 18.4847 -3.89635 -7.12403 -3.89643 42.5047 -40.1793 -7.12402 -40.1792 -54.4513 GPRESSAVG: 2784400 19.5873 -4.74942 -5.04085 -2.82833 42.0495 -42.5919 -7.143 -41.4133 -54.8439 TIMING: 2784400 CPU: 8069.22, 0.0029346/step Wall: 8069.22, 0.00293461/step, 1.80609 hours remaining, 208.871094 MB of memory in use. ENERGY: 2784400 753.8847 2051.2916 1955.1381 114.6849 -206328.4344 17849.4220 0.0000 0.0000 34215.0546 -149388.9587 298.8086 -183604.0133 -149296.9793 298.8834 4.0961 36.6360 558108.5241 2.1794 2.2643 PRESSURE: 2784600 -26.5102 -178.064 -140.215 -178.063 317.559 -174.911 -140.214 -174.911 -96.889 GPRESSURE: 2784600 -0.790877 -133.493 -168.295 -89.0743 341.655 -144.235 -117.896 -146.743 -34.7352 PRESSAVG: 2784600 -9.31939 -19.3861 -1.93777 -19.3861 18.711 -16.5152 -1.93772 -16.5153 10.8154 GPRESSAVG: 2784600 -9.8083 -16.3815 -0.349151 -23.7835 18.7304 -15.5329 -3.61636 -15.8597 11.4396 TIMING: 2784600 CPU: 8069.79, 0.00288651/step Wall: 8069.79, 0.00288651/step, 1.77632 hours remaining, 208.871094 MB of memory in use. ENERGY: 2784600 728.5734 2087.6613 1970.1503 104.7300 -206158.9239 17800.0370 0.0000 0.0000 34107.8515 -149359.9203 297.8724 -183467.7718 -149266.6071 299.0115 64.7198 102.0431 556410.3455 6.7357 6.7872 PRESSURE: 2784800 112.665 -116.377 -11.7858 -116.377 -198.731 4.30215 -11.7857 4.30053 -187.345 GPRESSURE: 2784800 125.185 -70.5073 43.1036 -95.4522 -165.804 35.441 -47.7245 -10.9999 -133.392 PRESSAVG: 2784800 24.1868 43.7841 -1.65781 43.7841 -18.0651 -17.3399 -1.6579 -17.3398 -40.2322 GPRESSAVG: 2784800 22.742 42.5583 -2.71199 47.6218 -17.7479 -16.4179 -2.31571 -17.0171 -39.5233 TIMING: 2784800 CPU: 8070.37, 0.00289397/step Wall: 8070.37, 0.00289397/step, 1.78076 hours remaining, 208.871094 MB of memory in use. ENERGY: 2784800 748.6664 2048.3348 1996.9026 106.8194 -206073.3172 17695.4268 0.0000 0.0000 34213.3328 -149263.8345 298.7935 -183477.1673 -149166.0596 298.6996 -91.1368 -58.0035 557984.0222 -11.3702 -11.5097 PRESSURE: 2785000 -79.6568 -120.987 -1.96953 -120.987 25.3509 57.2385 -1.97003 57.2391 86.1867 GPRESSURE: 2785000 12.0529 -180.208 -5.58653 -102.975 67.2938 49.5808 -2.9826 22.6877 55.7329 PRESSAVG: 2785000 10.1479 -11.554 -42.3232 -11.554 11.3484 -14.0083 -42.3233 -14.0084 0.109088 GPRESSAVG: 2785000 10.4146 -11.9533 -40.6026 -12.4751 11.5293 -13.6092 -43.1829 -15.7636 -0.737302 TIMING: 2785000 CPU: 8070.95, 0.00289477/step Wall: 8070.95, 0.00289477/step, 1.78109 hours remaining, 208.871094 MB of memory in use. ENERGY: 2785000 729.6368 2083.3084 1967.9928 123.9015 -206304.1898 17774.2910 0.0000 0.0000 34410.0244 -149215.0349 300.5113 -183625.0592 -149122.6761 299.4206 10.6269 45.0265 556072.8352 7.2018 7.0688 PRESSURE: 2785200 -47.4725 30.6735 -41.0177 30.6723 59.6075 -226.561 -41.0171 -226.56 -296.102 GPRESSURE: 2785200 4.50599 2.71113 10.6047 7.23023 79.3065 -205.59 -45.929 -267.079 -264.824 PRESSAVG: 2785200 25.6192 12.6707 41.383 12.6707 -49.1578 26.7152 41.383 26.7152 17.085 GPRESSAVG: 2785200 25.0991 11.8267 39.7344 12.2809 -48.978 24.5877 42.47 28.5708 17.2659 TIMING: 2785200 CPU: 8071.53, 0.00288095/step Wall: 8071.53, 0.00288095/step, 1.77242 hours remaining, 208.871094 MB of memory in use. ENERGY: 2785200 760.8924 2043.8114 1967.9618 124.6174 -206129.3662 17691.1571 0.0000 0.0000 34379.8496 -149161.0765 300.2478 -183540.9262 -149059.2182 299.8008 -94.6555 -60.3373 557561.6488 -2.1512 -2.2044 PRESSURE: 2785400 -37.8942 118.76 -102.292 118.759 -272.63 -17.2707 -102.294 -17.2705 -50.2879 GPRESSURE: 2785400 -24.1238 121.218 -102.864 60.1376 -251.802 -43.0631 34.4285 18.2644 15.5677 PRESSAVG: 2785400 -12.0344 10.4589 -51.9438 10.4589 3.86762 23.0551 -51.9439 23.055 16.8582 GPRESSAVG: 2785400 -11.6187 11.9707 -51.8637 10.3294 3.19941 24.4853 -50.6247 22.031 16.5494 TIMING: 2785400 CPU: 8072.1, 0.00286963/step Wall: 8072.1, 0.00286963/step, 1.7653 hours remaining, 208.871094 MB of memory in use. ENERGY: 2785400 742.3456 2100.6319 1947.0871 112.3591 -205972.6794 17499.1778 0.0000 0.0000 34411.2410 -149159.8370 300.5219 -183571.0780 -149068.4535 299.5910 -120.2709 -86.7859 557092.2863 2.8971 2.7100 PRESSURE: 2785600 30.9876 -92.8287 185.375 -92.8292 -63.6151 -11.4109 185.375 -11.4117 23.081 GPRESSURE: 2785600 50.7388 -38.8349 194.253 -176.026 -21.788 -125.823 180.382 -2.7829 43.5774 PRESSAVG: 2785600 -2.44093 -14.157 -12.459 -14.157 20.8816 -10.6497 -12.459 -10.6496 -39.4708 GPRESSAVG: 2785600 -2.51026 -14.0578 -11.8765 -16.4405 19.8861 -9.46769 -14.199 -10.8261 -38.9669 TIMING: 2785600 CPU: 8072.68, 0.00289651/step Wall: 8072.68, 0.00289651/step, 1.78168 hours remaining, 208.871094 MB of memory in use. ENERGY: 2785600 780.2967 2117.7981 1947.3047 107.8608 -206197.5778 17892.9370 0.0000 0.0000 34144.6945 -149206.6860 298.1941 -183351.3806 -149108.1487 299.5273 -3.1822 24.1760 558506.9054 -7.0100 -7.1970 PRESSURE: 2785800 -253.555 44.5898 154.198 44.5926 -24.0314 135.303 154.199 135.304 96.9153 GPRESSURE: 2785800 -178.011 20.1585 123.833 -22.3983 15.8436 202.743 99.2273 68.3077 72.1978 PRESSAVG: 2785800 -14.7201 -37.5347 18.9388 -37.5347 -41.9891 40.4569 18.9388 40.4569 41.5614 GPRESSAVG: 2785800 -14.335 -38.444 18.4087 -33.5859 -41.3907 38.4727 18.6257 42.0672 41.0178 TIMING: 2785800 CPU: 8073.26, 0.00289111/step Wall: 8073.26, 0.00289111/step, 1.7782 hours remaining, 208.871094 MB of memory in use. ENERGY: 2785800 790.8280 2078.9358 1984.2080 118.1248 -206356.0624 17747.3124 0.0000 0.0000 34445.2172 -149191.4363 300.8186 -183636.6534 -149089.8491 299.6971 -60.2238 -29.9899 557701.2311 -5.0493 -4.9026 PRESSURE: 2786000 31.0308 -1.17316 71.7232 -1.17312 240.273 173.102 71.7228 173.102 110.744 GPRESSURE: 2786000 59.2475 -24.8381 48.5321 -20.523 243.417 164.224 147.602 232.027 169.906 PRESSAVG: 2786000 12.9182 10.4639 24.4471 10.4638 -13.5604 48.4534 24.4471 48.4534 -4.03797 GPRESSAVG: 2786000 12.5592 10.3155 22.4757 8.98451 -13.3281 48.1225 27.1744 48.5168 -3.86378 TIMING: 2786000 CPU: 8073.84, 0.00289074/step Wall: 8073.84, 0.00289074/step, 1.77781 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2786000 764.8192 2144.4134 1972.9390 110.0266 -206445.7246 17960.1680 0.0000 0.0000 34278.4413 -149214.9170 299.3622 -183493.3583 -149116.7854 299.9727 127.3492 157.5233 556202.7875 -1.5601 -1.5442 PRESSURE: 2786200 111.539 -30.4544 -255.201 -30.4536 111.685 -37.2342 -255.201 -37.2335 -187.353 GPRESSURE: 2786200 159.932 -22.3801 -233.368 -69.5923 80.5073 -5.91439 -211.591 -85.051 -125.133 PRESSAVG: 2786200 5.53077 -0.70748 -33.7696 -0.707457 -10.6872 26.9406 -33.7696 26.9407 -12.6452 GPRESSAVG: 2786200 5.9429 -0.767338 -31.906 -0.283282 -10.5549 29.0558 -36.0018 26.3514 -13.6631 TIMING: 2786200 CPU: 8074.42, 0.00290001/step Wall: 8074.42, 0.00290001/step, 1.78335 hours remaining, 208.871094 MB of memory in use. ENERGY: 2786200 739.2004 2122.3165 1948.1567 112.3814 -206085.5066 17750.7590 0.0000 0.0000 34328.0949 -149084.5978 299.7958 -183412.6927 -148993.5638 299.7853 11.9567 38.4354 556376.7595 -5.9339 -6.0917 PRESSURE: 2786400 -25.3976 49.3678 38.466 49.3682 -50.4398 55.0251 38.4658 55.0261 -65.0886 GPRESSURE: 2786400 -2.98418 15.0022 34.9784 45.7614 -12.142 33.9974 89.7068 105.845 -15.8186 PRESSAVG: 2786400 -8.0014 15.7542 -13.8715 15.7541 12.0475 34.6524 -13.8715 34.6523 37.8778 GPRESSAVG: 2786400 -7.92142 16.5526 -14.1017 14.5728 11.9637 33.3347 -13.4121 35.5527 38.0952 TIMING: 2786400 CPU: 8074.99, 0.00287287/step Wall: 8074.99, 0.00287287/step, 1.7665 hours remaining, 208.871094 MB of memory in use. ENERGY: 2786400 786.1455 2149.3747 1939.9045 114.6185 -206468.5442 17919.6827 0.0000 0.0000 34555.0235 -149003.7948 301.7776 -183558.8183 -148909.5561 300.2125 -46.9753 -10.3149 556279.6041 13.9746 14.0458 PRESSURE: 2786600 -326.173 -37.7434 106.025 -37.7427 -193.102 15.9139 106.025 15.913 -206.364 GPRESSURE: 2786600 -234.511 -96.1266 153.215 -72.0773 -216.015 16.0179 57.8429 46.9488 -178.02 PRESSAVG: 2786600 50.0891 42.5427 53.119 42.5427 -14.0861 12.8905 53.119 12.8905 -41.43 GPRESSAVG: 2786600 49.9933 40.5257 53.0384 42.6186 -13.5584 12.9871 52.437 11.3597 -41.4381 TIMING: 2786600 CPU: 8075.57, 0.00289737/step Wall: 8075.57, 0.00289737/step, 1.7814 hours remaining, 208.871094 MB of memory in use. ENERGY: 2786600 745.0637 2093.3679 1952.6682 106.4153 -205766.4062 17398.0244 0.0000 0.0000 34424.5427 -149046.3240 300.6381 -183470.8667 -148946.6467 300.0635 -241.8796 -209.5154 558092.8621 -1.8090 -1.6677 PRESSURE: 2786800 -129.073 66.8316 -38.8418 66.8306 -74.4115 30.4442 -38.8419 30.4428 -333.361 GPRESSURE: 2786800 -51.9962 -24.2136 40.1032 79.9995 -113.185 -23.706 -100.513 -6.79311 -292.4 PRESSAVG: 2786800 24.4095 -2.46964 44.6028 -2.46967 -9.27448 44.454 44.6028 44.454 -52.2336 GPRESSAVG: 2786800 25.4245 -3.79996 43.9405 0.0717349 -9.60417 44.5735 45.7813 44.4159 -52.5496 TIMING: 2786800 CPU: 8076.16, 0.00292344/step Wall: 8076.16, 0.00292344/step, 1.79726 hours remaining, 208.871094 MB of memory in use. ENERGY: 2786800 707.6727 2089.8234 1958.7767 135.9546 -205625.2186 17316.4179 0.0000 0.0000 34499.9311 -148916.6422 301.2965 -183416.5733 -148817.7953 299.7420 -178.9484 -152.5270 557681.2256 -12.3662 -12.2431 PRESSURE: 2787000 -338.778 -5.2443 -132.256 -5.24471 -207.103 106.654 -132.258 106.653 -23.5319 GPRESSURE: 2787000 -247.938 -26.0518 -152.073 95.0682 -180.043 125.142 -27.578 13.5075 -53.2424 PRESSAVG: 2787000 23.173 29.6597 -7.24478 29.6597 17.2404 -35.4975 -7.24486 -35.4975 11.4215 GPRESSAVG: 2787000 23.112 33.6199 -6.47613 27.2032 18.1936 -36.0023 -7.20476 -34.1733 10.6206 TIMING: 2787000 CPU: 8076.73, 0.00289002/step Wall: 8076.73, 0.00289002/step, 1.77656 hours remaining, 208.871094 MB of memory in use. ENERGY: 2787000 729.9850 2067.9237 1961.3170 115.3653 -205618.0191 17529.5655 0.0000 0.0000 34352.5698 -148861.2928 300.0095 -183213.8625 -148763.5601 300.2307 -189.8043 -160.4077 557982.7654 17.2783 17.3087 PRESSURE: 2787200 -359.258 -2.41861 145.325 -2.41871 -15.6975 151.144 145.325 151.144 -110.278 GPRESSURE: 2787200 -289.911 8.74811 53.5889 -30.6995 42.488 175.523 176.704 145.238 -142.165 PRESSAVG: 2787200 7.74234 -16.2319 -16.8618 -16.2319 25.794 -42.5364 -16.8617 -42.5363 -54.7169 GPRESSAVG: 2787200 8.68119 -16.3148 -17.4103 -16.475 23.621 -41.5791 -16.3486 -43.1424 -53.4863 TIMING: 2787200 CPU: 8077.31, 0.00288367/step Wall: 8077.31, 0.00288367/step, 1.77249 hours remaining, 208.871094 MB of memory in use. ENERGY: 2787200 733.2416 2109.8909 1955.0052 118.3064 -205895.0155 17620.0352 0.0000 0.0000 34413.3158 -148945.2204 300.5400 -183358.5362 -148850.2638 300.6565 -161.7447 -129.8629 558377.8837 -7.0602 -7.0614 PRESSURE: 2787400 -357.648 67.8854 -39.7957 67.8857 91.4876 -246.962 -39.7964 -246.962 162.271 GPRESSURE: 2787400 -291.479 66.5345 -6.99616 127.892 101.552 -226.819 -25.0436 -111.428 173.143 PRESSAVG: 2787400 -47.7982 13.1268 59.2779 13.1268 112.615 -1.65431 59.2779 -1.65427 -79.8394 GPRESSAVG: 2787400 -50.2086 11.2117 61.3892 16.3014 113.775 -1.83612 57.2294 -0.72052 -78.7344 TIMING: 2787400 CPU: 8077.89, 0.00288523/step Wall: 8077.89, 0.00288523/step, 1.7733 hours remaining, 208.871094 MB of memory in use. ENERGY: 2787400 767.8923 2096.1656 1936.2336 122.0948 -205743.5968 17698.0569 0.0000 0.0000 34094.4182 -149028.7353 297.7550 -183123.1536 -148929.7185 300.3232 -34.6298 -5.5945 557510.7214 -5.0077 -5.0559 PRESSURE: 2787600 -71.0358 -158.545 87.1671 -158.545 -41.4581 117.091 87.1685 117.09 44.2075 GPRESSURE: 2787600 -15.7833 -183.368 126.316 -63.5423 -31.4868 163.244 34.1426 91.9085 78.1645 PRESSAVG: 2787600 -10.9077 -16.6304 -2.66786 -16.6304 6.46874 -15.1264 -2.66783 -15.1264 10.6262 GPRESSAVG: 2787600 -9.88629 -15.7919 -3.12088 -19.5722 6.21332 -14.7231 -0.449915 -16.5652 10.3166 TIMING: 2787600 CPU: 8078.46, 0.00287614/step Wall: 8078.46, 0.00287614/step, 1.76755 hours remaining, 208.871094 MB of memory in use. ENERGY: 2787600 730.5904 2099.9990 1966.4148 111.9441 -206047.1208 17732.6412 0.0000 0.0000 34273.3306 -149132.2006 299.3175 -183405.5313 -149035.8201 299.4014 -22.7622 10.2981 557698.5346 2.0624 2.2146 PRESSURE: 2787800 -43.3761 5.71759 -50.7173 5.71687 -278.075 -58.3987 -50.7179 -58.3969 -27.4398 GPRESSURE: 2787800 -0.297418 28.0884 -32.479 -60.9774 -251.045 19.9648 23.1328 -86.4033 -7.94318 PRESSAVG: 2787800 5.93468 -9.4048 -18.4586 -9.40481 21.034 -9.63062 -18.4587 -9.63043 8.42954 GPRESSAVG: 2787800 6.60691 -7.85 -19.7684 -9.055 21.3346 -10.6695 -19.6296 -6.35536 7.56632 TIMING: 2787800 CPU: 8079.04, 0.00289386/step Wall: 8079.04, 0.00289386/step, 1.77828 hours remaining, 208.871094 MB of memory in use. ENERGY: 2787800 774.5686 2096.5143 1928.9461 125.1783 -205987.6517 17668.3588 0.0000 0.0000 34192.0533 -149202.0322 298.6077 -183394.0855 -149121.8499 299.3144 -116.2971 -86.4284 557127.0043 11.7994 11.8359 PRESSURE: 2788000 35.517 -50.8664 -118.459 -50.8679 108.783 -203.43 -118.459 -203.43 -47.3795 GPRESSURE: 2788000 69.454 -41.2513 -60.5014 30.8133 89.3152 -169.53 -173.361 -238.887 21.1296 PRESSAVG: 2788000 58.9809 -41.7751 -68.6401 -41.7751 -7.2266 2.74402 -68.64 2.74403 -2.49954 GPRESSAVG: 2788000 57.2265 -42.8536 -67.334 -39.8554 -5.75465 3.31487 -69.485 -1.12951 -3.08415 TIMING: 2788000 CPU: 8079.62, 0.00289273/step Wall: 8079.62, 0.00289273/step, 1.77742 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2788000 736.4797 2148.4749 1959.9333 107.8092 -206424.9856 17895.7430 0.0000 0.0000 34230.4608 -149346.0847 298.9431 -183576.5455 -149252.3631 299.0094 32.3068 59.9662 555485.8335 16.4182 16.1292 PRESSURE: 2788200 -50.8408 -52.1289 143.523 -52.1299 -225.948 -234.808 143.523 -234.808 -140.577 GPRESSURE: 2788200 -27.9155 -5.03918 170.649 -25.9047 -202.918 -298.766 117.82 -18.9242 -93.355 PRESSAVG: 2788200 -12.9073 5.88803 -16.194 5.88801 2.65679 -66.7587 -16.1941 -66.7586 13.4414 GPRESSAVG: 2788200 -11.9369 5.06795 -16.2607 5.4961 1.64591 -65.874 -15.853 -66.6202 13.0913 TIMING: 2788200 CPU: 8080.2, 0.00288873/step Wall: 8080.2, 0.00288873/step, 1.77481 hours remaining, 208.871094 MB of memory in use. ENERGY: 2788200 768.9019 2111.4661 1989.9220 105.8897 -205853.3722 17498.1276 0.0000 0.0000 34147.1265 -149231.9385 298.2153 -183379.0650 -149143.2611 299.8336 -139.1219 -108.0629 557743.0788 1.0636 0.9334 LDB: ============= START OF LOAD BALANCING ============== 8083.58 LDB: ============== END OF LOAD BALANCING =============== 8083.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8083.59 LDB: ============= START OF LOAD BALANCING ============== 8083.88 LDB: Largest compute 4800 load 0.025797 is 21.9% of average load 0.117989 LDB: Average compute 0.001755 is 1.5% of average load 0.117989 LDB: TIME 8083.88 LOAD: AVG 0.117989 MAX 0.182993 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.129 MB LDB: TIME 8083.88 LOAD: AVG 0.117989 MAX 0.182993 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.129 MB LDB: TIME 8083.88 LOAD: AVG 0.117989 MAX 0.182993 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.129 MB LDB: ============== END OF LOAD BALANCING =============== 8083.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8083.89 PRESSURE: 2788400 239.49 303.959 29.2558 303.958 154.8 151.974 29.2568 151.974 -15.346 GPRESSURE: 2788400 263.418 298.991 20.3963 304.673 208.517 135.083 55.8827 122.704 -6.70388 PRESSAVG: 2788400 77.7779 3.83481 47.0979 3.83478 -7.08711 -34.4154 47.0979 -34.4154 -43.8251 GPRESSAVG: 2788400 77.5676 3.22609 48.2251 4.0075 -6.53615 -36.7246 46.2979 -32.9728 -43.4489 TIMING: 2788400 CPU: 8080.79, 0.00297257/step Wall: 8080.79, 0.00297257/step, 1.82615 hours remaining, 210.660156 MB of memory in use. ENERGY: 2788400 761.0523 2040.8135 1940.1566 111.8176 -206443.6770 17941.5197 0.0000 0.0000 34357.8151 -149290.5022 300.0553 -183648.3173 -149195.8369 299.6989 126.3150 155.0771 557604.4304 8.9552 9.1942 PRESSURE: 2788600 -168.964 -75.2658 -170.083 -75.2648 -12.9107 -140.18 -170.083 -140.179 -100.176 GPRESSURE: 2788600 -151.852 -101.68 -154.175 -111.431 47.5221 -165.717 -124.182 -84.2034 -96.8974 PRESSAVG: 2788600 9.16233 -18.219 -1.12173 -18.219 57.7141 -43.7082 -1.12176 -43.7082 -68.435 GPRESSAVG: 2788600 9.06287 -17.8408 -2.29883 -18.4863 57.1504 -42.8236 1.00673 -44.9135 -68.0808 TIMING: 2788600 CPU: 8081.37, 0.0029089/step Wall: 8081.37, 0.0029089/step, 1.78687 hours remaining, 210.800781 MB of memory in use. ENERGY: 2788600 719.8610 2014.9814 1950.4234 116.5918 -205961.0952 17608.5792 0.0000 0.0000 34279.6116 -149271.0467 299.3724 -183550.6583 -149174.4426 299.2923 -94.0171 -67.0756 556756.8517 -0.5195 -0.6225 PRESSURE: 2788800 -31.8939 152.995 72.9323 152.993 169.463 -4.16934 72.9333 -4.16753 -83.374 GPRESSURE: 2788800 -12.9177 176.803 47.4778 102.255 198.09 39.3921 51.2837 42.4944 -31.3121 PRESSAVG: 2788800 -13.5926 5.38213 -13.7006 5.38211 12.46 -4.46327 -13.7007 -4.4633 -21.8804 GPRESSAVG: 2788800 -12.6488 6.61461 -14.0282 3.26362 11.8033 -3.11364 -15.1308 -4.05525 -22.3773 TIMING: 2788800 CPU: 8081.95, 0.00289988/step Wall: 8081.95, 0.00289988/step, 1.78117 hours remaining, 210.800781 MB of memory in use. ENERGY: 2788800 719.7516 2046.9769 1931.6880 126.3486 -206387.2007 17906.1001 0.0000 0.0000 34363.0958 -149293.2397 300.1015 -183656.3355 -149199.3127 299.0791 18.0650 51.2867 556978.3843 -7.6710 -7.7409 PRESSURE: 2789000 -40.2833 72.8278 -139.897 72.8281 80.1269 124.468 -139.897 124.468 11.5864 GPRESSURE: 2789000 -42.7293 142.398 -122.424 14.9492 154.753 162.819 -121.621 79.2399 42.8154 PRESSAVG: 2789000 -8.82347 27.0949 11.0424 27.0949 -0.546374 22.0105 11.0424 22.0104 5.23541 GPRESSAVG: 2789000 -9.60291 25.3105 11.3442 28.7778 -0.798414 19.499 10.6501 22.6521 5.49154 TIMING: 2789000 CPU: 8082.53, 0.0028829/step Wall: 8082.53, 0.0028829/step, 1.77058 hours remaining, 210.800781 MB of memory in use. ENERGY: 2789000 718.2340 2070.2718 1918.0349 97.0950 -206421.9409 17878.8014 0.0000 0.0000 34272.4291 -149467.0747 299.3096 -183739.5038 -149375.9426 299.2225 17.1433 51.6131 558687.9146 -1.3781 -1.6366 PRESSURE: 2789200 126.095 -107.495 21.1165 -107.495 258.946 170.226 21.1159 170.225 -162.999 GPRESSURE: 2789200 140.87 -107.868 -48.3882 -118.891 318.027 151.164 46.066 176.922 -130.102 PRESSAVG: 2789200 3.76134 -59.3824 33.2043 -59.3824 14.4859 -16.2897 33.2043 -16.2898 -0.597399 GPRESSAVG: 2789200 3.79929 -57.8025 32.2582 -60.4254 15.5086 -15.6923 34.0079 -16.3338 -1.57854 TIMING: 2789200 CPU: 8083.11, 0.00288202/step Wall: 8083.11, 0.00288202/step, 1.76988 hours remaining, 210.800781 MB of memory in use. ENERGY: 2789200 710.0444 1985.1361 1948.8683 107.8574 -206103.2683 17776.0336 0.0000 0.0000 34216.3096 -149359.0189 298.8195 -183575.3285 -149260.2568 298.9459 74.0139 109.5987 557851.1074 5.8833 5.9098 PRESSURE: 2789400 -7.11432 305.556 99.4005 305.555 -215.104 -81.4994 99.4008 -81.4987 217.625 GPRESSURE: 2789400 3.29623 362.939 -37.8538 232.637 -115.269 -69.8825 169.464 -130.935 204.793 PRESSAVG: 2789400 -11.7993 41.0573 6.30077 41.0571 19.759 -31.763 6.30073 -31.7631 -27.5676 GPRESSAVG: 2789400 -12.1035 42.2695 5.06851 40.9514 19.4955 -30.8173 6.93806 -32.3623 -26.3759 TIMING: 2789400 CPU: 8083.69, 0.00290239/step Wall: 8083.69, 0.00290239/step, 1.78223 hours remaining, 210.800781 MB of memory in use. ENERGY: 2789400 769.1219 2038.2440 1929.1708 118.4090 -206288.7515 17759.5779 0.0000 0.0000 34345.8076 -149328.4204 299.9505 -183674.2280 -149232.9341 298.9849 -1.5311 30.9398 557171.2111 -6.5360 -6.3279 PRESSURE: 2789600 -91.8837 -106.24 -113.856 -106.24 -27.7636 -8.04613 -113.856 -8.04553 -141.893 GPRESSURE: 2789600 -45.1898 -14.9622 -134.153 -149.681 -8.73497 136.076 -67.1607 -219.48 -114.162 PRESSAVG: 2789600 24.8886 35.7905 -24.3154 35.7905 -66.3441 -28.5544 -24.3154 -28.5544 44.3487 GPRESSAVG: 2789600 24.2786 35.1219 -22.8836 35.9969 -64.895 -28.7054 -25.9977 -28.6186 43.4218 TIMING: 2789600 CPU: 8084.26, 0.00287719/step Wall: 8084.26, 0.00287719/step, 1.76659 hours remaining, 210.800781 MB of memory in use. ENERGY: 2789600 767.0026 2070.8295 1970.7247 109.9324 -206412.3438 17765.5545 0.0000 0.0000 34260.2511 -149468.0490 299.2033 -183728.3001 -149374.1130 299.2528 -87.1800 -56.0290 557540.6789 0.9644 0.9351 PRESSURE: 2789800 14.3543 71.4228 89.2052 71.4232 -1.09647 89.2221 89.2052 89.2223 21.1029 GPRESSURE: 2789800 84.4966 -54.1698 97.9563 32.2691 -12.1413 138.418 65.3416 24.1455 60.0584 PRESSAVG: 2789800 -0.679411 31.8785 -16.9386 31.8786 23.6508 -36.5542 -16.9387 -36.5544 23.929 GPRESSAVG: 2789800 1.06212 32.5169 -17.5155 32.057 21.6636 -38.2254 -16.9233 -36.8151 24.0112 TIMING: 2789800 CPU: 8084.84, 0.00287757/step Wall: 8084.84, 0.00287757/step, 1.76667 hours remaining, 210.800781 MB of memory in use. ENERGY: 2789800 725.8639 2075.6516 1957.7502 117.8774 -206431.2420 17964.3634 0.0000 0.0000 34078.5949 -149511.1406 297.6168 -183589.7355 -149412.9119 298.9890 11.4536 44.1379 557656.5427 15.6335 15.5790 PRESSURE: 2790000 -97.9573 9.12671 -25.2313 9.1268 -53.6072 74.326 -25.2315 74.3248 -200.977 GPRESSURE: 2790000 -125.349 20.7087 16.4635 -10.797 -4.09562 69.4071 -51.2841 53.6617 -135.764 PRESSAVG: 2790000 34.495 4.03833 -72.6132 4.0383 -8.41571 41.671 -72.6132 41.671 -21.9313 GPRESSAVG: 2790000 33.9642 3.14132 -73.6879 4.20476 -7.89929 40.4969 -69.2441 42.8091 -22.0821 TIMING: 2790000 CPU: 8085.42, 0.0029011/step Wall: 8085.42, 0.0029011/step, 1.78095 hours remaining, 210.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2790000 723.0897 2089.8697 1930.1370 120.3491 -206295.2177 17667.9004 0.0000 0.0000 34280.5036 -149483.3682 299.3802 -183763.8718 -149381.2126 299.1216 -117.5139 -88.4029 557604.4867 1.3827 1.3276 PRESSURE: 2790200 -218.793 -105.938 84.0009 -105.938 -289.25 -36.1999 84.0002 -36.1995 -142.452 GPRESSURE: 2790200 -206.502 -133.932 74.7406 -27.0598 -200.875 -119.237 73.3068 -22.8841 -160.085 PRESSAVG: 2790200 -36.0105 15.4286 -42.4449 15.4286 86.563 8.31634 -42.4449 8.31634 -21.9574 GPRESSAVG: 2790200 -35.7092 13.3722 -41.8144 15.9725 86.5235 9.04807 -44.0277 9.69456 -21.24 TIMING: 2790200 CPU: 8086, 0.00291002/step Wall: 8086, 0.00291002/step, 1.78627 hours remaining, 210.800781 MB of memory in use. ENERGY: 2790200 779.8255 2093.5637 1932.3050 105.2205 -206767.0218 17852.9782 0.0000 0.0000 34265.2816 -149737.8473 299.2472 -184003.1289 -149642.7873 297.8258 -216.8317 -189.1539 558686.4446 9.5317 9.8581 PRESSURE: 2790400 -86.5717 63.2103 58.5706 63.2112 -126.489 46.2231 58.5717 46.2229 -184.398 GPRESSURE: 2790400 -43.6903 29.8363 87.6236 29.317 -90.0559 73.506 16.3676 80.1613 -180.625 PRESSAVG: 2790400 -79.4826 17.3508 2.57307 17.3507 24.4239 -4.4163 2.57325 -4.41639 26.6681 GPRESSAVG: 2790400 -80.4271 20.4225 0.98044 15.0002 24.233 -3.43805 1.88454 -4.73504 28.1321 TIMING: 2790400 CPU: 8086.58, 0.00291337/step Wall: 8086.58, 0.00291337/step, 1.78816 hours remaining, 210.800781 MB of memory in use. ENERGY: 2790400 738.8766 2099.2459 1933.6411 97.6984 -206204.6640 17534.5175 0.0000 0.0000 34107.3930 -149693.2915 297.8683 -183800.6845 -149590.1464 298.0637 -132.4864 -104.7906 556837.5067 -9.4635 -9.3540 PRESSURE: 2790600 -16.1171 -159.251 11.6289 -159.25 38.1006 73.5736 11.6286 73.573 -257.65 GPRESSURE: 2790600 34.1799 -98.2427 -15.3347 -233.69 59.7085 42.5195 5.33647 126.746 -224.589 PRESSAVG: 2790600 1.67998 -19.0529 10.7722 -19.0529 75.5862 -14.0963 10.7722 -14.0964 -67.3258 GPRESSAVG: 2790600 2.59537 -19.1188 11.9462 -18.0548 76.2382 -13.3265 11.193 -14.4816 -68.2459 TIMING: 2790600 CPU: 8087.17, 0.00291366/step Wall: 8087.17, 0.00291366/step, 1.78818 hours remaining, 210.800781 MB of memory in use. ENERGY: 2790600 749.5290 2130.6126 1911.3263 109.9348 -206428.6499 17819.0497 0.0000 0.0000 34245.1386 -149463.0589 299.0713 -183708.1975 -149364.7001 298.3635 -78.5554 -43.5667 557714.6900 3.3135 3.5292 PRESSURE: 2790800 -355.003 -109.831 -47.1758 -109.83 25.9933 29.1886 -47.1753 29.1886 -37.0744 GPRESSURE: 2790800 -290.597 -55.0055 -59.8557 -145.895 31.3839 -69.7332 -85.8527 68.1278 -3.03467 PRESSAVG: 2790800 -12.951 -40.2653 16.3373 -40.2653 21.0602 2.87702 16.3373 2.87702 -41.6983 GPRESSAVG: 2790800 -13.5226 -40.8387 17.771 -39.4511 21.4982 4.38686 15.4191 1.42214 -40.943 TIMING: 2790800 CPU: 8087.75, 0.00289433/step Wall: 8087.75, 0.00289433/step, 1.77615 hours remaining, 210.800781 MB of memory in use. ENERGY: 2790800 730.9236 2054.1438 1959.6004 100.8994 -206557.8263 17801.5118 0.0000 0.0000 34278.4413 -149632.3061 299.3622 -183910.7474 -149538.0263 297.7346 -122.0281 -87.4158 557295.9758 -11.1964 -10.9891 PRESSURE: 2791000 81.2565 144.585 34.6254 144.585 -33.0586 -55.1528 34.6245 -55.1561 57.1602 GPRESSURE: 2791000 165.457 113.53 -67.3736 98.9786 -4.16643 -43.7564 67.8562 -77.6276 54.1827 PRESSAVG: 2791000 -14.0064 -16.4991 14.4603 -16.4991 24.0916 23.2675 14.4602 23.2675 47.7926 GPRESSAVG: 2791000 -13.2701 -14.1953 13.3604 -16.4269 23.7059 21.4716 14.8887 23.435 47.4061 TIMING: 2791000 CPU: 8088.33, 0.00290203/step Wall: 8088.33, 0.00290203/step, 1.78072 hours remaining, 210.800781 MB of memory in use. ENERGY: 2791000 725.7506 2054.5712 1943.0375 107.4285 -206529.5908 17869.5701 0.0000 0.0000 34159.9269 -149669.3060 298.3271 -183829.2330 -149573.3079 298.7637 35.1194 71.8244 556530.6764 19.2926 19.2806 PRESSURE: 2791200 83.2702 -92.5004 -133.424 -92.5002 -14.926 -107.088 -133.425 -107.088 -135.973 GPRESSURE: 2791200 107.597 -99.5619 -62.9175 -62.735 29.0377 -129.956 -138.152 -60.1157 -97.263 PRESSAVG: 2791200 19.1884 -24.6185 -36.4471 -24.6185 -38.8688 8.92003 -36.4471 8.92012 14.8688 GPRESSAVG: 2791200 18.8484 -25.4181 -36.0783 -23.7568 -38.823 8.95893 -35.8319 9.97018 14.4869 TIMING: 2791200 CPU: 8088.91, 0.00291592/step Wall: 8088.91, 0.00291592/step, 1.78908 hours remaining, 210.800781 MB of memory in use. ENERGY: 2791200 744.7796 2090.3351 1945.5262 103.3455 -206588.1040 17957.2698 0.0000 0.0000 34193.0342 -149553.8135 298.6163 -183746.8477 -149452.9677 297.6646 -22.5430 13.1239 558672.9467 -1.6039 -1.8292 PRESSURE: 2791400 30.9448 -27.2618 -14.9847 -27.2614 43.8113 176.841 -14.9845 176.841 84.0747 GPRESSURE: 2791400 81.1991 -38.0856 -18.1998 29.0862 103.799 169.323 -23.374 192.431 81.9736 PRESSAVG: 2791400 -19.8797 19.1728 -44.9515 19.1727 -24.9557 22.9719 -44.9515 22.9718 53.078 GPRESSAVG: 2791400 -19.1098 18.802 -44.6692 18.7158 -24.6901 23.9559 -44.6659 21.6786 52.2616 TIMING: 2791400 CPU: 8089.48, 0.00287799/step Wall: 8089.48, 0.00287799/step, 1.76565 hours remaining, 210.800781 MB of memory in use. ENERGY: 2791400 742.6387 2098.9643 1934.8940 104.0702 -206605.9261 17970.2187 0.0000 0.0000 34211.9790 -149543.1611 298.7817 -183755.1401 -149441.9698 298.7430 52.9436 88.9906 556633.5574 2.7475 2.8206 PRESSURE: 2791600 -411.505 61.4115 73.8303 61.4117 -254.337 41.9063 73.83 41.9061 -210.627 GPRESSURE: 2791600 -407.268 93.18 89.4141 108.921 -221.362 -28.5697 60.0578 98.9079 -150.98 PRESSAVG: 2791600 -44.4389 -23.1061 -32.8555 -23.1063 23.0143 55.3606 -32.8555 55.3605 6.54492 GPRESSAVG: 2791600 -45.1984 -26.4593 -33.7396 -17.7993 22.6185 54.0394 -33.2788 56.2171 7.33739 TIMING: 2791600 CPU: 8090.06, 0.00290106/step Wall: 8090.06, 0.00290106/step, 1.77964 hours remaining, 210.800781 MB of memory in use. ENERGY: 2791600 743.3874 2121.9031 1951.2373 117.0479 -206060.4661 17499.6713 0.0000 0.0000 34158.9321 -149468.2868 298.3185 -183627.2189 -149376.7188 299.0392 -292.1563 -259.8699 558094.7939 -4.9599 -5.0809 PRESSURE: 2791800 80.099 125.092 12.6413 125.093 -75.4344 -37.0409 12.6396 -37.0415 -277.016 GPRESSURE: 2791800 70.1878 101.017 30.7073 159.95 -10.3052 6.81629 -4.57753 -30.6498 -221.456 PRESSAVG: 2791800 47.4694 58.035 22.7423 58.0349 -103.47 17.9962 22.7424 17.9963 54.9022 GPRESSAVG: 2791800 47.814 61.6387 21.6047 52.1608 -103.944 17.2002 23.1392 18.3036 55.1377 TIMING: 2791800 CPU: 8090.65, 0.00292972/step Wall: 8090.65, 0.00292972/step, 1.79706 hours remaining, 210.800781 MB of memory in use. ENERGY: 2791800 743.3263 2039.4034 1939.4378 102.3431 -206502.4527 18009.9630 0.0000 0.0000 34215.9566 -149452.0225 298.8165 -183667.9792 -149345.8610 299.3624 -90.7837 -53.8580 558274.7884 -0.3661 -0.3306 PRESSURE: 2792000 49.2077 81.3104 34.6393 81.3109 -149.656 102.498 34.6395 102.497 -132.181 GPRESSURE: 2792000 54.6292 89.5882 -6.14705 101.248 -102.414 57.7541 55.0834 103.263 -94.6113 PRESSAVG: 2792000 0.877551 47.9905 59.4951 47.9904 -9.83112 55.412 59.4951 55.4119 -11.5792 GPRESSAVG: 2792000 0.586297 46.6991 59.6871 49.0958 -10.2311 56.1954 59.3802 55.4211 -11.544 TIMING: 2792000 CPU: 8091.23, 0.00289768/step Wall: 8091.23, 0.00289768/step, 1.77725 hours remaining, 210.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2792000 734.9397 2075.3226 1949.4026 109.3966 -206438.3315 17738.2603 0.0000 0.0000 34351.3919 -149479.6178 299.9992 -183831.0097 -149382.3165 298.1441 -77.5430 -47.4652 557707.8481 -6.8442 -7.0629 PRESSURE: 2792200 -274.479 19.1346 110.79 19.1345 23.8919 282.198 110.79 282.199 71.2144 GPRESSURE: 2792200 -266.469 -17.5986 130.465 -7.59848 58.6824 282.487 60.6681 152.707 115.002 PRESSAVG: 2792200 3.94178 -17.5163 -54.7317 -17.5162 -48.929 35.7994 -54.7317 35.7994 14.1974 GPRESSAVG: 2792200 4.00463 -16.2758 -53.3112 -17.7129 -48.2807 37.6459 -53.4984 35.1003 12.5157 TIMING: 2792200 CPU: 8091.81, 0.00290073/step Wall: 8091.81, 0.00290073/step, 1.77896 hours remaining, 210.800781 MB of memory in use. ENERGY: 2792200 736.8658 2050.9810 1959.9395 101.6331 -206143.8244 17609.6899 0.0000 0.0000 34269.4914 -149415.2237 299.2840 -183684.7151 -149323.8839 297.8460 -59.7908 -30.9281 557946.6253 -10.2633 -10.5868 LDB: ============= START OF LOAD BALANCING ============== 8095.2 LDB: ============== END OF LOAD BALANCING =============== 8095.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8095.2 LDB: ============= START OF LOAD BALANCING ============== 8095.49 LDB: Largest compute 4820 load 0.026204 is 22.2% of average load 0.117958 LDB: Average compute 0.001752 is 1.5% of average load 0.117958 LDB: TIME 8095.49 LOAD: AVG 0.117958 MAX 0.178329 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.879 MB LDB: TIME 8095.49 LOAD: AVG 0.117958 MAX 0.178329 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: TIME 8095.49 LOAD: AVG 0.117958 MAX 0.178329 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8095.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8095.5 PRESSURE: 2792400 -27.0274 -41.7857 -39.152 -41.7863 98.144 14.6461 -39.151 14.6472 99.7743 GPRESSURE: 2792400 58.5868 -51.6161 24.5504 37.2203 106.756 -10.4091 -115.721 102.481 100.632 PRESSAVG: 2792400 -25.8875 -58.0964 -18.4553 -58.0963 91.8626 -9.62259 -18.4552 -9.62269 -41.2081 GPRESSAVG: 2792400 -26.1772 -60.3081 -18.0795 -55.8697 91.242 -10.2633 -19.9686 -6.49781 -41.2729 TIMING: 2792400 CPU: 8092.4, 0.00297348/step Wall: 8092.4, 0.00297348/step, 1.82341 hours remaining, 208.792969 MB of memory in use. ENERGY: 2792400 712.2492 2110.6907 1959.4149 108.2556 -206091.3548 17769.8279 0.0000 0.0000 33972.5310 -149458.3855 296.6906 -183430.9166 -149370.7753 298.0242 56.9636 88.6585 557700.9813 8.2557 7.9306 PRESSURE: 2792600 -276.97 47.1203 -102.417 47.1203 -106.301 -129.277 -102.416 -129.277 -52.8339 GPRESSURE: 2792600 -234.471 82.1312 -137.685 77.9678 -102.444 -156.332 -122.942 -92.6403 -14.0012 PRESSAVG: 2792600 48.2515 -67.2272 -1.34877 -67.2272 -91.8269 -2.65038 -1.34881 -2.65033 30.9919 GPRESSAVG: 2792600 49.2856 -64.2381 -1.58294 -70.9422 -94.6686 -2.1166 -1.63405 -4.02414 32.5903 TIMING: 2792600 CPU: 8092.99, 0.0029021/step Wall: 8092.99, 0.0029021/step, 1.77947 hours remaining, 209.253906 MB of memory in use. ENERGY: 2792600 732.0268 2102.0935 1966.0244 101.5798 -206161.3016 17569.1632 0.0000 0.0000 34181.0342 -149509.3798 298.5115 -183690.4139 -149414.9321 298.3289 -145.3682 -116.9720 557813.0790 -4.1945 -4.2642 PRESSURE: 2792800 -157.502 -153.791 -84.5329 -153.79 -75.3667 64.7125 -84.5317 64.7146 -43.4215 GPRESSURE: 2792800 -158.522 -165.391 -70.537 -150.894 -56.7334 -1.09853 -111.701 25.9896 20.888 PRESSAVG: 2792800 -0.721346 -4.56229 -10.8396 -4.5623 46.7901 -67.6349 -10.8396 -67.6349 8.44978 GPRESSAVG: 2792800 -1.65186 -5.55743 -11.4891 -3.34452 48.8419 -67.8524 -10.9728 -69.65 6.85025 TIMING: 2792800 CPU: 8093.56, 0.00289696/step Wall: 8093.56, 0.00289696/step, 1.77616 hours remaining, 209.253906 MB of memory in use. ENERGY: 2792800 737.2745 2082.1269 1963.3417 107.9141 -206255.1385 17702.9575 0.0000 0.0000 34237.0061 -149424.5177 299.0003 -183661.5238 -149323.2091 298.4682 -92.0967 -64.7891 557219.6081 18.1728 18.0134 PRESSURE: 2793000 -44.552 -111.496 -56.277 -111.495 -380.785 -274.487 -56.2763 -274.489 -160.559 GPRESSURE: 2793000 6.79932 -167.263 -98.7703 -116.044 -371.716 -208.725 -58.7328 -303.818 -120.723 PRESSAVG: 2793000 -81.7407 -35.6927 36.3181 -35.6928 20.7763 -53.2858 36.3182 -53.2858 36.0773 GPRESSAVG: 2793000 -80.9058 -36.95 36.4874 -35.6087 19.3647 -54.0972 37.4971 -51.331 36.6191 TIMING: 2793000 CPU: 8094.15, 0.00291676/step Wall: 8094.15, 0.00291676/step, 1.78813 hours remaining, 209.382812 MB of memory in use. ENERGY: 2793000 738.1015 2026.3286 1969.8927 117.5909 -206302.7605 17659.8981 0.0000 0.0000 34154.1942 -149636.7545 298.2771 -183790.9487 -149534.8675 298.2682 -195.2989 -161.8799 557185.3206 -8.2957 -8.3073 PRESSURE: 2793200 -166.163 -56.486 22.8796 -56.4853 41.7914 -41.5453 22.8791 -41.5468 -126.437 GPRESSURE: 2793200 -124.479 -102.127 -49.7295 -78.2434 88.1033 -35.712 51.0839 -61.5465 -114.6 PRESSAVG: 2793200 -6.32535 -5.91753 -6.3708 -5.91755 -8.70034 -7.22993 -6.37084 -7.22995 44.5822 GPRESSAVG: 2793200 -5.87417 -4.6962 -4.77638 -6.42868 -9.05743 -6.04904 -6.92075 -8.57622 44.4772 TIMING: 2793200 CPU: 8094.73, 0.00288677/step Wall: 8094.73, 0.00288677/step, 1.76959 hours remaining, 209.382812 MB of memory in use. ENERGY: 2793200 726.5175 2088.6370 1980.1907 100.2633 -206391.3846 17750.9963 0.0000 0.0000 34121.3494 -149623.4304 297.9902 -183744.7798 -149522.5093 297.6686 -83.6029 -50.3252 556793.6651 9.8522 9.8485 PRESSURE: 2793400 -42.944 -120.016 -21.2997 -120.017 5.36765 27.7656 -21.2992 27.7664 -106.868 GPRESSURE: 2793400 44.4108 -88.3062 -32.848 -129.665 -38.4357 0.692489 -69.5949 106.066 -51.2524 PRESSAVG: 2793400 23.0865 -23.9282 -37.2632 -23.9282 0.188059 -5.6472 -37.2633 -5.64726 37.9356 GPRESSAVG: 2793400 22.0747 -23.6821 -38.0518 -24.6452 0.84933 -5.58448 -38.0611 -4.95647 39.1214 TIMING: 2793400 CPU: 8095.31, 0.00289934/step Wall: 8095.31, 0.00289934/step, 1.77713 hours remaining, 209.382812 MB of memory in use. ENERGY: 2793400 727.3858 2018.7657 1949.3425 116.0243 -206178.5350 17638.0888 0.0000 0.0000 34346.6773 -149382.2505 299.9581 -183728.9278 -149285.1763 297.9902 -48.1480 -15.0924 556860.6884 20.4034 20.6818 PRESSURE: 2793600 -91.9369 8.65028 -77.4252 8.64889 -37.0115 -43.7165 -77.4266 -43.7164 -29.7653 GPRESSURE: 2793600 -79.2847 -17.0151 -131.986 35.1621 -59.9185 19.5598 -117.642 -23.8388 72.2971 PRESSAVG: 2793600 10.5617 -54.9358 -35.5063 -54.9357 -49.4411 20.76 -35.5064 20.76 25.5258 GPRESSAVG: 2793600 11.1383 -53.2945 -36.7518 -53.8281 -50.506 21.4595 -35.4461 19.6405 25.4309 TIMING: 2793600 CPU: 8095.88, 0.00287651/step Wall: 8095.88, 0.00287651/step, 1.76298 hours remaining, 209.382812 MB of memory in use. ENERGY: 2793600 759.3277 2048.6622 1956.9391 116.0132 -206559.2732 17985.9875 0.0000 0.0000 34181.3357 -149511.0078 298.5141 -183692.3435 -149416.7166 298.1424 -52.9046 -22.3020 557638.5405 -4.4512 -4.6456 PRESSURE: 2793800 38.4569 8.15156 -76.2424 8.15274 -231.263 -109.765 -76.2417 -109.763 143.983 GPRESSURE: 2793800 59.5899 -52.2193 -121.946 16.9407 -120.61 -98.5733 15.7912 -108.463 116.137 PRESSAVG: 2793800 -27.9582 -30.6075 -40.5287 -30.6075 -44.5963 -12.8047 -40.5287 -12.8046 84.9321 GPRESSAVG: 2793800 -28.7859 -31.4855 -39.303 -31.7037 -42.2927 -13.9702 -38.2423 -12.1563 83.6214 TIMING: 2793800 CPU: 8096.46, 0.00289257/step Wall: 8096.46, 0.00289257/step, 1.77267 hours remaining, 209.382812 MB of memory in use. ENERGY: 2793800 746.8809 2110.5205 1958.6809 112.7693 -206527.3047 17903.6458 0.0000 0.0000 34236.8505 -149457.9569 298.9989 -183694.8073 -149358.2974 298.6763 -16.2743 18.3721 557134.3216 4.1258 4.1809 PRESSURE: 2794000 -308.128 30.0945 1.08078 30.0958 -300.755 -67.1146 1.08116 -67.1131 -205.25 GPRESSURE: 2794000 -297.824 20.5416 116.133 -23.7193 -247.209 -44.724 -23.9344 -55.7449 -170.335 PRESSAVG: 2794000 -24.4996 -34.57 35.0864 -34.5699 -48.1899 6.69089 35.0864 6.69095 55.4706 GPRESSAVG: 2794000 -24.3006 -37.4247 33.9594 -33.3688 -49.0289 7.14349 30.871 4.32986 56.4412 TIMING: 2794000 CPU: 8097.04, 0.00288984/step Wall: 8097.04, 0.00288984/step, 1.77083 hours remaining, 209.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2794000 761.8314 2108.6848 1961.5535 115.0402 -206276.6654 17638.2590 0.0000 0.0000 34321.1682 -149370.1283 299.7353 -183691.2965 -149273.7831 298.6057 -271.3776 -238.4563 558466.6874 -5.7396 -5.6294 PRESSURE: 2794200 108.153 3.599 -34.2135 3.59811 30.942 23.1947 -34.2132 23.1937 39.3616 GPRESSURE: 2794200 177.07 -85.6248 -25.5628 38.1412 32.9189 -64.692 1.12579 88.3569 57.0659 PRESSAVG: 2794200 -11.4216 16.9879 -2.84456 16.9879 17.9644 30.2347 -2.84458 30.2347 -73.7001 GPRESSAVG: 2794200 -10.4023 19.106 -1.34139 16.9204 17.9113 29.1231 -2.6001 33.5418 -74.5608 TIMING: 2794200 CPU: 8097.62, 0.00290009/step Wall: 8097.62, 0.00290009/step, 1.77695 hours remaining, 209.382812 MB of memory in use. ENERGY: 2794200 748.9212 2070.2837 1955.2574 115.9328 -205944.1771 17756.6021 0.0000 0.0000 34087.7877 -149209.3922 297.6971 -183297.1799 -149114.5456 299.2144 59.4854 89.0181 557558.8105 -22.3858 -22.3506 PRESSURE: 2794400 -69.8226 -7.14262 174.926 -7.14143 145.993 -27.5435 174.926 -27.5433 -161.841 GPRESSURE: 2794400 -23.075 20.03 166.53 -19.4766 224.291 23.8349 154.062 -50.8312 -192.034 PRESSAVG: 2794400 6.63487 33.7981 31.9574 33.7981 30.6656 58.1972 31.9574 58.1972 -41.7524 GPRESSAVG: 2794400 6.75804 31.7247 31.1114 34.9621 29.8342 57.0238 32.7436 57.5552 -40.5233 TIMING: 2794400 CPU: 8098.19, 0.00288363/step Wall: 8098.19, 0.00288363/step, 1.76671 hours remaining, 209.382812 MB of memory in use. ENERGY: 2794400 742.1969 2076.7128 1968.9607 128.2624 -206115.6034 17616.7022 0.0000 0.0000 34422.1473 -149160.6210 300.6172 -183582.7683 -149067.5579 299.1520 -28.5570 3.0606 556489.1445 -1.4840 -1.3103 PRESSURE: 2794600 -349.882 213.794 52.2956 213.792 -184.837 -94.8988 52.2967 -94.8967 -45.3604 GPRESSURE: 2794600 -310.365 208.352 15.8583 189.18 -215.438 -2.40764 44.7138 -145.978 30.9098 PRESSAVG: 2794600 -17.3494 27.319 30.5255 27.3191 17.631 18.8279 30.5255 18.8279 20.9132 GPRESSAVG: 2794600 -16.7137 26.2609 29.0819 28.5796 17.4105 20.6156 31.5515 17.2764 20.5029 TIMING: 2794600 CPU: 8098.78, 0.00292808/step Wall: 8098.78, 0.00292808/step, 1.79377 hours remaining, 209.382812 MB of memory in use. ENERGY: 2794600 756.2494 1998.2268 1962.5267 117.2327 -205832.3915 17414.2519 0.0000 0.0000 34263.9541 -149319.9499 299.2356 -183583.9040 -149220.6297 299.6125 -193.3598 -164.9642 557594.3757 7.0649 7.0666 PRESSURE: 2794800 68.2619 -96.2842 -15.8383 -96.2849 2.97413 253.829 -15.8392 253.83 -138.552 GPRESSURE: 2794800 99.646 -136.494 39.3602 -99.6862 5.42378 202.469 -104.952 196.42 -76.3154 PRESSAVG: 2794800 31.9025 2.90773 102.063 2.90778 7.30428 -8.66941 102.063 -8.6694 -49.9946 GPRESSAVG: 2794800 32.356 5.16293 103.929 -1.62695 6.98658 -10.5523 100.124 -8.5238 -49.563 TIMING: 2794800 CPU: 8099.36, 0.00291442/step Wall: 8099.36, 0.00291442/step, 1.78524 hours remaining, 209.382812 MB of memory in use. ENERGY: 2794800 736.8549 2098.5466 1957.8390 108.7082 -206156.7209 17747.2726 0.0000 0.0000 34301.9925 -149205.5071 299.5678 -183507.4996 -149106.6208 299.0037 -22.4387 9.5848 557294.8209 -3.5960 -3.4068 PRESSURE: 2795000 -155.574 -96.4209 39.1812 -96.4215 -29.9653 -21.4621 39.1816 -21.4632 -328.248 GPRESSURE: 2795000 -124.174 -155.217 81.2711 -33.9579 -59.524 58.4837 7.64995 -20.1131 -234.75 PRESSAVG: 2795000 -36.2328 -45.9748 -5.0589 -45.9748 51.692 -23.393 -5.05887 -23.3932 2.05901 GPRESSAVG: 2795000 -36.9915 -47.9121 -6.4875 -44.4081 52.0986 -23.1022 -3.81488 -22.3837 2.75174 TIMING: 2795000 CPU: 8099.94, 0.00287627/step Wall: 8099.94, 0.00287627/step, 1.76171 hours remaining, 209.382812 MB of memory in use. ENERGY: 2795000 743.8815 2120.0944 1927.6424 110.1166 -206105.3007 17627.0926 0.0000 0.0000 34144.4882 -149431.9851 298.1923 -183576.4733 -149335.5255 298.7908 -171.2625 -139.4827 558417.9820 5.8394 5.9530 PRESSURE: 2795200 -312.083 -55.9157 70.7479 -55.9155 -65.0111 46.3971 70.747 46.3965 -32.6886 GPRESSURE: 2795200 -232.283 -58.1239 84.3647 -84.4331 -49.5104 -24.136 63.4649 53.1656 -30.8352 PRESSAVG: 2795200 -28.3932 -25.8204 8.08944 -25.8203 2.04761 20.7541 8.08937 20.754 -23.7567 GPRESSAVG: 2795200 -28.9886 -25.4042 7.27075 -24.5932 2.93852 23.89 9.53308 18.2576 -23.9611 TIMING: 2795200 CPU: 8100.52, 0.00290103/step Wall: 8100.52, 0.00290103/step, 1.77672 hours remaining, 209.382812 MB of memory in use. ENERGY: 2795200 724.5876 2151.2346 1935.5779 107.6041 -206030.3115 17566.6164 0.0000 0.0000 34302.1452 -149242.5455 299.5692 -183544.6908 -149152.2095 298.2567 -136.5942 -104.2096 558157.2335 -16.7008 -16.6704 PRESSURE: 2795400 156.336 -69.1396 -201.686 -69.1399 -34.6966 36.3686 -201.686 36.3673 24.6104 GPRESSURE: 2795400 206.132 -70.5535 -219.794 -116.832 6.57957 -34.3611 -132.882 71.2462 29.3789 PRESSAVG: 2795400 36.8184 4.75979 16.0405 4.75983 -34.5854 25.1436 16.0405 25.1437 5.69962 GPRESSAVG: 2795400 38.0832 4.24987 17.6877 4.59112 -35.0254 25.257 15.0639 26.4349 4.88059 TIMING: 2795400 CPU: 8101.1, 0.00290183/step Wall: 8101.1, 0.00290183/step, 1.77705 hours remaining, 209.382812 MB of memory in use. ENERGY: 2795400 754.5448 2059.3594 1966.4300 113.2514 -206011.1228 17767.0737 0.0000 0.0000 34184.4974 -149165.9662 298.5417 -183350.4636 -149066.4788 299.0355 48.7499 80.6969 557321.4393 2.6442 2.6462 PRESSURE: 2795600 -33.1838 19.3965 -3.12861 19.3973 -76.4789 -11.2448 -3.12884 -11.2436 -39.747 GPRESSURE: 2795600 -69.8864 11.1079 -21.852 2.73834 -47.2766 -82.1737 -33.0987 6.26685 69.2601 PRESSAVG: 2795600 -40.7563 -22.1688 28.3106 -22.1689 25.8006 28.1404 28.3106 28.1404 31.9138 GPRESSAVG: 2795600 -41.3402 -21.723 28.9873 -24.9489 26.4253 26.2388 27.9002 30.0083 32.1124 TIMING: 2795600 CPU: 8101.68, 0.00291718/step Wall: 8101.68, 0.00291718/step, 1.78629 hours remaining, 209.382812 MB of memory in use. ENERGY: 2795600 759.1706 2091.6604 1974.6029 119.9278 -206219.2323 17797.0581 0.0000 0.0000 34256.3639 -149220.4485 299.1693 -183476.8124 -149130.0861 299.6072 -49.8032 -15.9676 557469.2785 5.6527 5.7325 PRESSURE: 2795800 -195.297 60.8611 147.261 60.8608 11.5379 10.2317 147.26 10.231 174.438 GPRESSURE: 2795800 -169.837 -3.20346 128.846 74.0976 71.6037 -49.4821 228.674 -7.55375 184.92 PRESSAVG: 2795800 -49.107 4.38794 19.3982 4.38793 46.2429 -31.0816 19.3983 -31.0816 53.5983 GPRESSAVG: 2795800 -47.7477 4.09989 18.827 6.00214 44.8283 -28.5873 19.4553 -35.045 53.2627 TIMING: 2795800 CPU: 8102.26, 0.002905/step Wall: 8102.26, 0.002905/step, 1.77867 hours remaining, 209.382812 MB of memory in use. ENERGY: 2795800 749.2908 2083.3090 1970.5826 104.1092 -206733.0007 18071.7275 0.0000 0.0000 34365.0413 -149388.9402 300.1185 -183753.9815 -149286.3210 299.6467 -3.1069 28.8957 556994.7649 16.9114 16.7811 PRESSURE: 2796000 19.2839 27.8474 26.2099 27.8477 -106.903 -73.7117 26.2092 -73.7101 -121.226 GPRESSURE: 2796000 11.2066 0.249528 -48.2764 62.2578 -70.9787 -46.7662 -2.54017 -63.7927 -39.4532 PRESSAVG: 2796000 -44.9433 51.5612 -20.1062 51.5613 6.11659 -33.2781 -20.1063 -33.2781 16.5695 GPRESSAVG: 2796000 -45.6513 52.0201 -21.4463 51.1107 5.81638 -36.0602 -19.8817 -30.3566 17.8149 TIMING: 2796000 CPU: 8102.84, 0.0029057/step Wall: 8102.84, 0.0029057/step, 1.77893 hours remaining, 209.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2796000 762.9078 2110.3814 1963.0852 106.8581 -206454.8988 17909.9349 0.0000 0.0000 34298.7724 -149302.9588 299.5397 -183601.7313 -149210.8935 299.1687 -69.6152 -33.0751 557096.7017 -7.4191 -7.3400 PRESSURE: 2796200 109.854 215.794 -86.2364 215.794 -235.464 29.8702 -86.2365 29.8701 -23.5791 GPRESSURE: 2796200 90.2529 259.733 -161.139 200.212 -187.408 38.1539 -43.5135 128.402 34.7269 PRESSAVG: 2796200 -104.877 77.0189 -75.2451 77.0189 39.2346 -28.6236 -75.2451 -28.6236 54.5739 GPRESSAVG: 2796200 -105.371 79.3105 -74.8062 76.7692 40.0952 -28.246 -75.2641 -28.4343 54.2688 TIMING: 2796200 CPU: 8103.43, 0.00291224/step Wall: 8103.43, 0.00291224/step, 1.78278 hours remaining, 209.382812 MB of memory in use. ENERGY: 2796200 719.5633 2098.1914 1952.8491 106.6417 -205966.3091 17587.1737 0.0000 0.0000 34070.3767 -149431.5132 297.5451 -183501.8899 -149338.3980 299.0703 -49.7295 -20.8093 558535.6527 -3.6895 -3.6692 LDB: ============= START OF LOAD BALANCING ============== 8106.81 LDB: ============== END OF LOAD BALANCING =============== 8106.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8106.81 LDB: ============= START OF LOAD BALANCING ============== 8107.1 LDB: Largest compute 4820 load 0.025489 is 21.6% of average load 0.117957 LDB: Average compute 0.001744 is 1.5% of average load 0.117957 LDB: TIME 8107.1 LOAD: AVG 0.117957 MAX 0.182376 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.453 MB LDB: TIME 8107.1 LOAD: AVG 0.117957 MAX 0.182376 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.523 MB LDB: TIME 8107.1 LOAD: AVG 0.117957 MAX 0.182376 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8107.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8107.11 PRESSURE: 2796400 158.349 52.3474 -69.7848 52.3483 -53.6313 130.941 -69.7858 130.942 -75.132 GPRESSURE: 2796400 138.48 -34.6722 -11.3844 69.8921 -15.6882 201.293 -109.835 96.8113 -15.1303 PRESSAVG: 2796400 38.875 34.5282 -1.13684 34.5282 -78.3305 19.7145 -1.13684 19.7144 55.7538 GPRESSAVG: 2796400 38.9342 32.0649 -0.389672 35.9599 -78.8886 20.0182 -3.13353 18.1944 56.0605 TIMING: 2796400 CPU: 8104.01, 0.00293741/step Wall: 8104.01, 0.00293741/step, 1.79802 hours remaining, 209.765625 MB of memory in use. ENERGY: 2796400 730.7161 2159.6589 1940.9282 110.7197 -206662.5444 17967.2586 0.0000 0.0000 34227.5948 -149525.6681 298.9181 -183753.2629 -149431.7057 298.7695 9.8620 35.8872 557465.1669 5.4327 5.3687 PRESSURE: 2796600 36.467 -88.5913 -145.141 -88.5904 153.773 -1.67079 -145.141 -1.67019 19.8344 GPRESSURE: 2796600 70.7948 43.1132 -177.465 -173.535 214.964 -40.9436 -85.2369 56.4228 15.7318 PRESSAVG: 2796600 -50.8157 25.1045 -9.00646 25.1045 41.8893 -7.48477 -9.00642 -7.48477 -1.23751 GPRESSAVG: 2796600 -50.7635 27.9297 -7.79971 23.0259 42.2843 -7.18686 -8.5893 -7.71177 -1.72349 TIMING: 2796600 CPU: 8104.59, 0.00289505/step Wall: 8104.59, 0.00289505/step, 1.77193 hours remaining, 209.835938 MB of memory in use. ENERGY: 2796600 712.6623 2123.4678 1973.9969 107.3267 -206631.9383 17892.4287 0.0000 0.0000 34352.2212 -149469.8348 300.0065 -183822.0560 -149376.4471 299.4681 70.0249 100.4968 558114.4157 -3.3880 -3.4009 PRESSURE: 2796800 -379.522 -44.4375 -70.0701 -44.4385 -25.5568 135.807 -70.0703 135.807 90.2436 GPRESSURE: 2796800 -365.508 -98.8235 -56.3251 -65.1353 33.3875 137.23 -53.6516 73.9121 122.791 PRESSAVG: 2796800 -86.4788 -17.6503 -28.0165 -17.6502 67.5381 -48.3076 -28.0165 -48.3076 38.6345 GPRESSAVG: 2796800 -86.5885 -20.3344 -29.4669 -16.6962 67.4362 -49.5556 -26.1486 -47.3994 39.0462 TIMING: 2796800 CPU: 8105.17, 0.00288831/step Wall: 8105.17, 0.00288831/step, 1.76764 hours remaining, 209.835938 MB of memory in use. ENERGY: 2796800 756.5728 2033.2551 1965.4735 113.1642 -206527.4047 17807.5265 0.0000 0.0000 34321.6612 -149529.7514 299.7396 -183851.4126 -149438.1275 299.1667 -104.9449 -69.7765 557037.8603 6.5646 6.6313 PRESSURE: 2797000 -109.93 -111.547 -148.776 -111.546 99.2702 -13.7282 -148.776 -13.7292 -12.0222 GPRESSURE: 2797000 -87.2347 -21.1416 -136.472 -48.3364 128.292 -40.0016 -155.663 41.5576 31.1771 PRESSAVG: 2797000 -70.618 -41.5889 -30.2351 -41.5891 49.7835 18.2925 -30.2351 18.2927 -1.21273 GPRESSAVG: 2797000 -70.8282 -38.8254 -30.7081 -41.6533 49.9937 19.8869 -32.4854 18.0649 -0.434983 TIMING: 2797000 CPU: 8105.75, 0.00288509/step Wall: 8105.75, 0.00288509/step, 1.76552 hours remaining, 209.835938 MB of memory in use. ENERGY: 2797000 734.4413 2071.6792 1964.3469 113.8870 -206787.5577 18174.9231 0.0000 0.0000 34282.7007 -149445.5795 299.3994 -183728.2802 -149348.0888 298.8650 -7.5605 24.0783 557949.0358 -7.3491 -7.0898 PRESSURE: 2797200 -153.763 174.062 -106.243 174.062 -79.719 -190.945 -106.244 -190.945 -28.6339 GPRESSURE: 2797200 -121.885 213.981 -133.737 136.226 -38.2314 -244.727 -103.928 -116.992 1.44099 PRESSAVG: 2797200 25.7388 20.4143 -16.3999 20.4143 -31.054 -17.0435 -16.3999 -17.0434 36.1129 GPRESSAVG: 2797200 26.7954 19.018 -15.7762 19.5675 -30.8053 -18.8256 -14.9936 -15.7269 34.5745 TIMING: 2797200 CPU: 8106.33, 0.0028926/step Wall: 8106.33, 0.0028926/step, 1.76995 hours remaining, 209.835938 MB of memory in use. ENERGY: 2797200 778.7432 2097.0023 1955.2848 105.9941 -206063.1385 17681.9435 0.0000 0.0000 33965.7378 -149478.4328 296.6312 -183444.1706 -149385.9787 298.7190 -87.3720 -52.8919 558862.1474 10.2659 10.1882 PRESSURE: 2797400 44.8404 264.789 -19.7241 264.79 -107.306 -184.657 -19.7242 -184.655 304.949 GPRESSURE: 2797400 85.8106 244.082 -10.8685 272.864 -47.2032 -230.749 -29.3025 -204.032 298.479 PRESSAVG: 2797400 -63.8553 82.0706 -46.3578 82.0705 22.1878 -74.603 -46.3579 -74.6031 55.9345 GPRESSAVG: 2797400 -64.2453 81.8604 -46.9934 81.9347 21.993 -74.9409 -44.9261 -76.7453 57.1272 TIMING: 2797400 CPU: 8106.91, 0.00290481/step Wall: 8106.91, 0.00290481/step, 1.77726 hours remaining, 209.835938 MB of memory in use. ENERGY: 2797400 753.5916 2181.3074 1945.5128 118.1565 -206448.9164 17918.4514 0.0000 0.0000 34278.6494 -149253.2472 299.3640 -183531.8967 -149161.1308 299.0796 80.8275 112.3622 556467.2985 4.7556 4.9583 PRESSURE: 2797600 -117.528 107.917 299.709 107.916 22.6283 80.2 299.708 80.2002 -21.7009 GPRESSURE: 2797600 -107.468 127.532 360.381 94.9163 99.754 69.3772 228.662 89.2266 -11.691 PRESSAVG: 2797600 -6.95172 27.9927 52.1606 27.9928 -3.44256 -10.1605 52.1606 -10.1604 52.863 GPRESSAVG: 2797600 -6.47665 28.3213 52.0588 28.7667 -4.31466 -9.64619 51.9084 -10.8531 52.9369 TIMING: 2797600 CPU: 8107.49, 0.00289877/step Wall: 8107.49, 0.00289877/step, 1.7734 hours remaining, 209.835938 MB of memory in use. ENERGY: 2797600 789.1876 2106.8257 1941.5632 107.3479 -206381.3198 17818.3448 0.0000 0.0000 34509.6426 -149108.4080 301.3813 -183618.0505 -149011.4775 299.5848 -38.8670 -6.4684 558844.8124 14.1562 14.0485 PRESSURE: 2797800 -74.6516 -77.8479 71.1397 -77.8477 -324.499 70.4575 71.1404 70.4584 -207.682 GPRESSURE: 2797800 -40.8372 -57.3034 31.2479 -20.9213 -273.643 51.2809 71.0801 23.072 -202.051 PRESSAVG: 2797800 -29.843 -37.8191 44.8208 -37.819 28.8507 -8.57272 44.8208 -8.57261 14.4448 GPRESSAVG: 2797800 -30.0398 -37.4043 43.8024 -39.7156 28.7471 -8.41783 44.054 -7.07855 14.5036 TIMING: 2797800 CPU: 8108.07, 0.00290878/step Wall: 8108.07, 0.00290878/step, 1.77937 hours remaining, 209.835938 MB of memory in use. ENERGY: 2797800 767.4013 2075.0395 1956.0251 101.5434 -206048.5587 17484.4184 0.0000 0.0000 34401.3299 -149262.8012 300.4354 -183664.1311 -149164.2820 299.5282 -202.2775 -172.1770 557243.9689 4.4842 4.4036 PRESSURE: 2798000 -215.125 -90.526 -1.39642 -90.526 17.5759 -121.617 -1.39524 -121.617 -271.335 GPRESSURE: 2798000 -158.76 -112.241 71.6285 -35.1124 44.3362 -135.065 -18.9597 -109.08 -253.201 PRESSAVG: 2798000 46.1972 -24.3448 -10.8119 -24.3449 -47.8277 -63.7382 -10.8119 -63.7384 -26.8432 GPRESSAVG: 2798000 46.0748 -24.3852 -10.5122 -23.3463 -47.0582 -63.0982 -10.7293 -64.6419 -27.1825 TIMING: 2798000 CPU: 8108.65, 0.0029131/step Wall: 8108.65, 0.0029131/step, 1.78185 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2798000 790.1571 2080.5179 1959.7833 120.9088 -206284.7221 17707.0838 0.0000 0.0000 34151.0961 -149475.1752 298.2500 -183626.2712 -149372.5822 298.5011 -156.2945 -122.5417 558526.7310 -9.4912 -9.3886 PRESSURE: 2798200 -126.079 109.938 -125.849 109.938 -141.094 -55.6521 -125.848 -55.6533 -74.7545 GPRESSURE: 2798200 -62.6932 73.0821 -127.728 121.996 -117.792 11.0823 -146.619 -51.0772 -70.6506 PRESSAVG: 2798200 2.39204 -2.38723 50.3338 -2.38724 -25.5125 -34.4539 50.3337 -34.4538 30.8534 GPRESSAVG: 2798200 2.96798 -0.593382 50.9723 -2.9419 -25.0815 -35.9249 50.4722 -32.5985 30.447 TIMING: 2798200 CPU: 8109.23, 0.00290402/step Wall: 8109.23, 0.00290402/step, 1.77613 hours remaining, 209.835938 MB of memory in use. ENERGY: 2798200 768.5078 2069.0075 1979.1215 106.2259 -206915.5208 18076.3363 0.0000 0.0000 34409.7484 -149506.5734 300.5089 -183916.3218 -149406.9642 298.8403 -113.9761 -83.7120 557245.5624 2.5776 2.7778 PRESSURE: 2798400 105.072 -76.454 -130.396 -76.4541 -13.8275 -40.3485 -130.396 -40.3492 -386.911 GPRESSURE: 2798400 139.016 -126.871 -93.9004 19.9846 -3.26845 -88.5015 -149.315 75.0228 -338.288 PRESSAVG: 2798400 95.4595 34.2417 -31.1446 34.2418 -74.7029 -42.8092 -31.1446 -42.8091 -50.4304 GPRESSAVG: 2798400 95.3113 32.9043 -32.0456 33.6342 -77.546 -41.7409 -30.7833 -42.1351 -48.1509 TIMING: 2798400 CPU: 8109.81, 0.0029077/step Wall: 8109.81, 0.0029077/step, 1.77822 hours remaining, 209.835938 MB of memory in use. ENERGY: 2798400 748.1889 2085.1140 1951.4474 104.3143 -206675.6598 17968.0941 0.0000 0.0000 34314.5031 -149503.9979 299.6771 -183818.5010 -149403.2216 299.5739 -98.5554 -67.5133 559315.5625 -9.8913 -10.1285 PRESSURE: 2798600 -26.5599 -71.8639 -37.994 -71.8627 366.355 -26.5636 -37.9947 -26.5618 -127.123 GPRESSURE: 2798600 4.31776 -66.3843 -25.4859 32.6635 415.2 -88.8281 -5.28422 -27.8232 -103.136 PRESSAVG: 2798600 37.714 -11.3143 -53.7475 -11.3142 -29.5093 25.1177 -53.7475 25.1177 24.4959 GPRESSAVG: 2798600 37.3373 -12.4466 -52.4859 -8.96099 -27.7539 24.927 -54.8552 24.4256 23.1778 TIMING: 2798600 CPU: 8110.39, 0.00287332/step Wall: 8110.39, 0.00287332/step, 1.75704 hours remaining, 209.835938 MB of memory in use. ENERGY: 2798600 782.2613 2124.6866 1935.3382 108.8881 -206450.3134 17993.9050 0.0000 0.0000 34292.2471 -149212.9872 299.4827 -183505.2342 -149117.0377 299.7937 70.8907 105.4606 556380.9921 10.9002 10.9204 PRESSURE: 2798800 73.1203 -86.9171 9.27762 -86.9171 68.2415 158.191 9.27694 158.191 -82.5846 GPRESSURE: 2798800 82.1875 -10 -5.52439 -63.3064 106.054 241.149 -23.8771 143.305 -36.4187 PRESSAVG: 2798800 8.08747 40.1886 28.8749 40.1886 -5.61267 49.7458 28.8749 49.7459 -28.0152 GPRESSAVG: 2798800 8.80594 42.2229 27.6827 37.9038 -6.2834 47.7073 30.6655 49.5501 -27.9346 TIMING: 2798800 CPU: 8110.96, 0.00286873/step Wall: 8110.96, 0.00286873/step, 1.75407 hours remaining, 209.835938 MB of memory in use. ENERGY: 2798800 776.7241 2088.3315 1934.1593 105.4106 -206177.1179 17874.7351 0.0000 0.0000 34215.0932 -149182.6641 298.8089 -183397.7573 -149087.4495 299.9283 19.5924 50.6077 557891.5890 -8.5135 -8.4707 PRESSURE: 2799000 253.946 -39.1529 160.985 -39.1516 -78.1074 -57.4526 160.986 -57.4518 -91.7777 GPRESSURE: 2799000 309.785 -60.3581 221.046 -37.0643 -47.9885 -28.7337 143.953 -103.291 -72.1874 PRESSAVG: 2799000 45.7894 20.7106 -12.3008 20.7106 -16.3522 -9.38333 -12.3008 -9.38322 11.9178 GPRESSAVG: 2799000 45.7603 21.6359 -11.8852 22.8846 -15.7441 -8.69999 -13.8041 -10.5019 11.6293 TIMING: 2799000 CPU: 8111.54, 0.0028878/step Wall: 8111.54, 0.0028878/step, 1.76557 hours remaining, 209.835938 MB of memory in use. ENERGY: 2799000 719.8797 2124.4994 1989.9874 112.5358 -206348.9092 17859.3041 0.0000 0.0000 34200.8742 -149341.8286 298.6847 -183542.7028 -149240.9985 299.2321 28.0203 63.2029 557855.9570 13.7850 13.8818 PRESSURE: 2799200 -68.0748 25.4254 4.99583 25.4245 -174.645 -37.5624 4.99471 -37.5636 -86.9648 GPRESSURE: 2799200 -24.5737 -19.3169 -22.4893 55.3108 -132.483 3.40741 17.6859 -27.0312 -80.193 PRESSAVG: 2799200 -21.6195 6.54152 11.4459 6.54154 15.6523 -28.0354 11.4459 -28.0355 32.4351 GPRESSAVG: 2799200 -21.4049 3.23503 11.5356 6.51294 15.0909 -25.9153 12.6608 -28.3854 32.6359 TIMING: 2799200 CPU: 8112.12, 0.0029146/step Wall: 8112.12, 0.0029146/step, 1.78179 hours remaining, 209.835938 MB of memory in use. ENERGY: 2799200 764.1575 2133.2795 1965.8230 103.9596 -206285.9649 17750.3881 0.0000 0.0000 34291.7710 -149276.5862 299.4786 -183568.3572 -149179.6212 299.1970 -109.8948 -79.0834 558067.9668 8.8226 8.7740 PRESSURE: 2799400 9.93884 115.585 103.65 115.585 163.435 -48.3438 103.651 -48.3443 -44.0888 GPRESSURE: 2799400 63.0389 159.909 158.038 151.45 145.822 -57.9191 31.7744 -82.0224 9.90989 PRESSAVG: 2799400 -70.0432 12.9402 26.4044 12.9402 34.7295 -36.8739 26.4044 -36.874 21.2388 GPRESSAVG: 2799400 -69.3403 14.3181 27.1798 11.6557 35.0001 -35.8968 25.6208 -36.8904 20.6784 TIMING: 2799400 CPU: 8112.7, 0.00288175/step Wall: 8112.7, 0.00288175/step, 1.76155 hours remaining, 209.835938 MB of memory in use. ENERGY: 2799400 752.4912 2126.4999 1951.6542 109.4063 -206238.3310 17783.0870 0.0000 0.0000 34156.5504 -149358.6420 298.2977 -183515.1924 -149259.6996 299.1126 43.0951 72.9234 557619.5233 -4.6916 -4.5539 PRESSURE: 2799600 -189.121 -76.4545 -53.6561 -76.4552 -92.6803 -39.2272 -53.6559 -39.2278 -179.76 GPRESSURE: 2799600 -147.07 -77.5873 -90.6199 -84.7194 -38.9712 13.4303 -72.4062 16.9323 -169.465 PRESSAVG: 2799600 -34.2827 -34.6019 10.2681 -34.6019 27.9531 -17.9134 10.2682 -17.9135 12.0342 GPRESSAVG: 2799600 -35.129 -36.5363 8.08428 -32.5664 27.4409 -18.8334 10.7298 -15.8783 13.6222 TIMING: 2799600 CPU: 8113.28, 0.00289283/step Wall: 8113.28, 0.00289283/step, 1.76816 hours remaining, 209.835938 MB of memory in use. ENERGY: 2799600 689.4654 2099.8082 1948.0101 111.5555 -206255.1498 17542.1628 0.0000 0.0000 34329.5908 -149534.5570 299.8089 -183864.1478 -149439.7869 298.4124 -153.8537 -118.5021 557287.2738 1.9015 1.9780 PRESSURE: 2799800 86.809 -0.703598 202.036 -0.705462 -118.283 -8.07808 202.036 -8.07657 109.494 GPRESSURE: 2799800 160.25 5.27386 207.999 45.7778 -124.444 43.6062 159.21 9.6234 136.558 PRESSAVG: 2799800 -25.0688 -19.8301 13.443 -19.83 -1.33357 46.6741 13.4431 46.6741 -12.069 GPRESSAVG: 2799800 -23.6462 -18.6158 13.7608 -20.3867 -1.17957 46.5937 12.9305 46.1512 -12.6503 TIMING: 2799800 CPU: 8113.86, 0.00291251/step Wall: 8113.86, 0.00291251/step, 1.78003 hours remaining, 209.835938 MB of memory in use. ENERGY: 2799800 730.2657 2181.5971 1925.0084 98.9239 -206424.9287 17780.6325 0.0000 0.0000 34202.1174 -149506.3836 298.6956 -183708.5011 -149409.0668 297.7810 26.0067 57.4546 556693.7573 -12.8238 -12.4920 PRESSURE: 2800000 -44.2795 -144.45 24.0257 -144.451 -196.463 28.2018 24.0266 28.2009 -94.9376 GPRESSURE: 2800000 33.8861 -79.4693 89.6393 -122.245 -172.403 52.8315 15.6653 25.5959 -98.6307 PRESSAVG: 2800000 3.7867 9.19742 37.8424 9.19734 18.8757 51.2115 37.8424 51.2115 0.830002 GPRESSAVG: 2800000 2.77814 10.1303 39.9084 8.26544 19.1419 50.701 39.0898 50.4514 1.79019 TIMING: 2800000 CPU: 8114.44, 0.00289507/step Wall: 8114.44, 0.00289507/step, 1.76921 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2800000 755.3460 2068.4454 1951.2714 111.3868 -206380.6629 17678.7522 0.0000 0.0000 34172.5955 -149642.8656 298.4378 -183815.4610 -149542.4641 298.1680 -111.8933 -79.0492 557750.8018 7.8308 7.9034 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 WRITING COORDINATES TO DCD FILE MD.2.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 -37.1919 193.088 126.847 193.088 73.2594 188.69 126.846 188.692 133.97 GPRESSURE: 2800200 86.1721 182.253 104.156 199.44 4.58183 197.822 180.779 59.2776 174.482 PRESSAVG: 2800200 -37.4167 -39.0765 86.1055 -39.0764 58.6244 -43.6404 86.1054 -43.6405 12.5229 GPRESSAVG: 2800200 -36.3727 -40.2439 86.2086 -38.2967 58.8581 -45.1385 85.6811 -43.664 11.4962 TIMING: 2800200 CPU: 8115.13, 0.00345777/step Wall: 8115.13, 0.00345777/step, 2.11289 hours remaining, 209.835938 MB of memory in use. ENERGY: 2800200 726.8256 2078.1871 1959.2035 109.0723 -206510.8366 17938.7609 0.0000 0.0000 34088.3146 -149610.4728 297.7017 -183698.7873 -149509.0563 298.2303 56.6793 88.4120 557734.5754 11.2436 11.3272 LDB: ============= START OF LOAD BALANCING ============== 8118.51 LDB: ============== END OF LOAD BALANCING =============== 8118.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8118.52 LDB: ============= START OF LOAD BALANCING ============== 8118.8 LDB: Largest compute 4820 load 0.025571 is 21.7% of average load 0.117976 LDB: Average compute 0.001746 is 1.5% of average load 0.117976 LDB: TIME 8118.81 LOAD: AVG 0.117976 MAX 0.181354 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.609 MB LDB: TIME 8118.81 LOAD: AVG 0.117976 MAX 0.181354 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: TIME 8118.81 LOAD: AVG 0.117976 MAX 0.181354 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: ============== END OF LOAD BALANCING =============== 8118.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8118.81 PRESSURE: 2800400 97.511 8.5503 -19.4472 8.54971 -111.476 19.0108 -19.4482 19.0126 88.2615 GPRESSURE: 2800400 89.6755 -16.8974 1.36477 -88.4466 -70.6841 16.5271 11.4359 102.015 148.109 PRESSAVG: 2800400 6.85632 58.9239 88.7905 58.9239 19.241 -50.7748 88.7904 -50.7748 1.61951 GPRESSAVG: 2800400 7.34375 60.1758 89.3483 58.4522 18.5465 -47.9768 87.8197 -50.4972 1.76925 TIMING: 2800400 CPU: 8115.72, 0.00293715/step Wall: 8115.72, 0.00293715/step, 1.7946 hours remaining, 209.003906 MB of memory in use. ENERGY: 2800400 711.1135 2128.5642 1956.5249 108.9893 -206412.6455 17817.7492 0.0000 0.0000 34087.3194 -149602.3849 297.6930 -183689.7043 -149507.1666 297.9408 24.7653 55.7002 558363.5691 9.2390 9.2198 PRESSURE: 2800600 -288.909 -64.5604 47.1944 -64.5595 -33.6069 132.588 47.1952 132.589 -38.8528 GPRESSURE: 2800600 -216.232 -58.8255 77.5577 -56.7204 -12.0677 56.6428 49.2317 159.24 -28.4555 PRESSAVG: 2800600 -22.5857 -8.91024 65.8535 -8.91017 94.7453 6.36829 65.8536 6.36828 -40.8782 GPRESSAVG: 2800600 -23.3158 -9.74717 62.871 -8.80384 94.6226 5.88487 65.7558 5.6246 -39.5552 TIMING: 2800600 CPU: 8116.29, 0.00288115/step Wall: 8116.29, 0.00288115/step, 1.76022 hours remaining, 209.074219 MB of memory in use. ENERGY: 2800600 738.7624 2124.3978 1948.6755 118.4582 -206436.0073 17640.8840 0.0000 0.0000 34284.2864 -149580.5430 299.4132 -183864.8294 -149477.5741 298.0731 -120.4561 -85.5850 556715.5458 10.4271 10.5838 PRESSURE: 2800800 1.38179 166.341 13.921 166.341 57.714 -106.697 13.9221 -106.697 78.6606 GPRESSURE: 2800800 33.3009 98.7127 58.2328 172.073 69.5251 -178.051 -108.743 -51.1053 134.77 PRESSAVG: 2800800 36.5446 -25.8584 15.2382 -25.8585 15.9879 -12.8009 15.2384 -12.8009 -30.704 GPRESSAVG: 2800800 37.7831 -25.0689 16.9321 -25.7748 15.7994 -13.8649 13.939 -12.7694 -31.547 TIMING: 2800800 CPU: 8116.87, 0.00288596/step Wall: 8116.87, 0.00288596/step, 1.763 hours remaining, 209.074219 MB of memory in use. ENERGY: 2800800 761.9333 2134.6948 1900.0938 106.9574 -206762.2408 17950.9161 0.0000 0.0000 34297.1403 -149610.5052 299.5255 -183907.6455 -149512.8198 298.3346 45.9188 79.1987 556552.3858 7.2762 7.3451 PRESSURE: 2801000 61.9162 -194.151 -92.6133 -194.15 2.39121 -196.213 -92.6137 -196.213 -53.0779 GPRESSURE: 2801000 84.5313 -167.078 -123.233 -146.817 22.1075 -215.076 33.4717 -188.051 -6.58682 PRESSAVG: 2801000 -40.5437 -32.1444 32.6443 -32.1443 37.5421 -5.88067 32.6443 -5.88079 -39.3907 GPRESSAVG: 2801000 -41.1302 -33.3693 32.0155 -30.0966 39.0786 -6.16591 35.4132 -6.53598 -40.3671 TIMING: 2801000 CPU: 8117.45, 0.00288297/step Wall: 8117.45, 0.00288297/step, 1.76101 hours remaining, 209.074219 MB of memory in use. ENERGY: 2801000 759.0738 2143.1912 1964.9162 118.2226 -206774.3408 17970.3116 0.0000 0.0000 34137.7197 -149680.9057 298.1332 -183818.6255 -149581.3951 297.6264 3.7432 33.3507 556489.0640 -14.1308 -14.1396 PRESSURE: 2801200 -102.804 210.14 184.658 210.141 123.213 -111.802 184.658 -111.801 -24.3848 GPRESSURE: 2801200 -71.2482 128.677 211.114 223.764 183.972 -79.0026 88.5834 -80.7221 -20.7378 PRESSAVG: 2801200 -69.4709 46.6171 53.8762 46.6172 74.2599 -42.7665 53.8762 -42.7666 2.20824 GPRESSAVG: 2801200 -69.4007 48.3515 53.8877 43.502 74.1656 -44.0996 49.9019 -40.1433 2.41724 TIMING: 2801200 CPU: 8118.03, 0.00289684/step Wall: 8118.03, 0.00289684/step, 1.76933 hours remaining, 209.074219 MB of memory in use. ENERGY: 2801200 726.8418 2122.4795 1972.6868 115.3669 -206387.9544 17722.7700 0.0000 0.0000 34092.2642 -149635.5452 297.7362 -183727.8093 -149533.0852 297.2737 -1.3254 30.6621 555462.3159 2.3324 2.3940 PRESSURE: 2801400 -277.606 -148.712 88.7111 -148.713 -40.5082 -202.682 88.7122 -202.682 318.901 GPRESSURE: 2801400 -204.607 -54.4948 45.8391 -236.295 -27.7072 -267.187 76.7538 -238.515 330.469 PRESSAVG: 2801400 -45.664 20.863 19.7637 20.8631 14.3133 -19.4937 19.7637 -19.4936 -13.8964 GPRESSAVG: 2801400 -45.6589 20.622 19.0096 21.6825 13.3503 -17.0924 22.9743 -20.9821 -13.1436 TIMING: 2801400 CPU: 8118.61, 0.00289534/step Wall: 8118.61, 0.00289534/step, 1.76825 hours remaining, 209.277344 MB of memory in use. ENERGY: 2801400 748.9000 2112.3978 1978.3366 107.5042 -206710.6840 17848.1462 0.0000 0.0000 34193.7602 -149721.6390 298.6226 -183915.3992 -149628.2503 297.5638 0.2624 32.7182 555245.9339 -15.0823 -15.1507 PRESSURE: 2801600 -45.1775 150.374 62.1417 150.374 -249.178 -38.2304 62.1427 -38.2288 -2.24534 GPRESSURE: 2801600 -38.8836 128.702 60.1794 197.656 -207.552 -62.9903 99.742 -90.3275 36.6926 PRESSAVG: 2801600 68.5889 24.7938 16.2435 24.7939 -61.5267 -28.7055 16.2436 -28.7055 10.2712 GPRESSAVG: 2801600 69.2147 24.7414 17.0482 24.409 -61.4837 -28.8664 16.9628 -28.3458 9.58787 TIMING: 2801600 CPU: 8119.18, 0.00289197/step Wall: 8119.18, 0.00289197/step, 1.76603 hours remaining, 209.277344 MB of memory in use. ENERGY: 2801600 791.8871 2115.8994 1938.2414 107.8071 -206706.3670 18009.0279 0.0000 0.0000 34042.3548 -149701.1493 297.3004 -183743.5041 -149616.3044 298.2045 -98.8668 -69.9145 556484.0863 5.7778 5.7729 PRESSURE: 2801800 130.294 -14.9829 129.788 -14.9816 -248.713 -119.945 129.788 -119.944 177.199 GPRESSURE: 2801800 166.627 -88.3628 48.2525 1.54829 -190.543 -165.348 129.928 -41.9604 180.567 PRESSAVG: 2801800 16.1363 27.7751 -1.71793 27.7751 -30.6122 -45.7473 -1.71793 -45.7473 30.5008 GPRESSAVG: 2801800 15.7916 27.1533 0.103046 30.2326 -30.4252 -47.5707 -4.80128 -43.9511 30.6276 TIMING: 2801800 CPU: 8119.76, 0.00287171/step Wall: 8119.76, 0.00287171/step, 1.7535 hours remaining, 209.277344 MB of memory in use. ENERGY: 2801800 753.0715 2052.2255 1951.9113 104.2991 -206796.9114 17990.8856 0.0000 0.0000 34161.1010 -149783.4175 298.3374 -183944.5185 -149674.0337 297.9887 19.5931 52.2169 555833.2964 5.3416 5.3313 PRESSURE: 2802000 -16.9935 -16.5837 -90.0582 -16.5842 100.752 141.579 -90.0586 141.58 126.063 GPRESSURE: 2802000 31.4868 0.436717 -137.892 -9.99706 108.523 116.233 -139.533 83.7217 170.336 PRESSAVG: 2802000 15.0301 30.7069 -0.664029 30.7069 -5.433 43.6881 -0.664056 43.688 66.8219 GPRESSAVG: 2802000 14.6097 31.4421 -0.783661 29.4605 -5.69396 45.2334 -1.49905 42.0888 66.9102 TIMING: 2802000 CPU: 8120.34, 0.00288299/step Wall: 8120.34, 0.00288299/step, 1.76023 hours remaining, 209.480469 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: 2802000 736.3843 2125.0616 1946.1851 108.3767 -206680.7504 17952.3539 0.0000 0.0000 34217.7146 -149594.6742 298.8318 -183812.3888 -149500.5982 298.3572 69.9405 103.4485 555784.0430 25.4730 25.2753 PRESSURE: 2802200 -31.2538 -5.82178 5.48142 -5.82074 59.3677 -48.7988 5.48061 -48.7988 -172.859 GPRESSURE: 2802200 -12.8749 -101.374 5.0178 73.7588 64.2372 -88.6161 26.9288 -98.3176 -103.452 PRESSAVG: 2802200 20.246 32.9665 27.7319 32.9666 -39.887 -13.3065 27.7318 -13.3065 -28.6579 GPRESSAVG: 2802200 21.0467 33.1338 27.5067 32.2111 -39.878 -14.0276 30.3839 -13.6582 -29.5125 TIMING: 2802200 CPU: 8120.91, 0.00289059/step Wall: 8120.91, 0.00289059/step, 1.7647 hours remaining, 209.480469 MB of memory in use. ENERGY: 2802200 724.0352 2088.1146 1940.9188 110.6847 -206357.9702 17851.4601 0.0000 0.0000 34090.5657 -149552.1912 297.7214 -183642.7569 -149452.5155 298.4587 -48.2485 -17.3631 556984.5107 -16.0997 -16.1146 PRESSURE: 2802400 195.496 -109.451 -238.011 -109.45 240.891 -29.229 -238.009 -29.2302 125.22 GPRESSURE: 2802400 214.356 -109.112 -295.67 -149.682 237.785 -57.7657 -252.001 -41.9816 193.636 PRESSAVG: 2802400 43.0243 20.4638 -8.49511 20.464 -55.0749 -3.54818 -8.49519 -3.54827 69.34 GPRESSAVG: 2802400 43.7416 20.6633 -9.14158 21.9629 -54.3514 -3.23695 -9.79631 -4.83448 68.6729 TIMING: 2802400 CPU: 8121.49, 0.00289037/step Wall: 8121.49, 0.00289037/step, 1.76441 hours remaining, 209.480469 MB of memory in use. ENERGY: 2802400 731.6121 2067.0919 1967.2936 129.3872 -206704.4141 18133.3100 0.0000 0.0000 34247.1503 -149428.5691 299.0889 -183675.7194 -149331.8820 297.9029 187.2024 215.2589 556438.4867 19.0965 19.3544 PRESSURE: 2802600 152.922 -26.7144 -118.792 -26.7146 -127.877 58.361 -118.791 58.361 180.276 GPRESSURE: 2802600 166.889 7.11647 -149.649 -16.037 -39.7101 64.9104 -180.021 5.29013 180.937 PRESSAVG: 2802600 1.94264 56.8324 -68.5377 56.8325 -23.1507 -47.0891 -68.5378 -47.0891 50.6753 GPRESSAVG: 2802600 1.58574 56.4241 -69.3597 55.6487 -24.8449 -46.661 -67.9079 -47.9364 52.7655 TIMING: 2802600 CPU: 8122.07, 0.00290654/step Wall: 8122.07, 0.00290654/step, 1.77412 hours remaining, 209.480469 MB of memory in use. ENERGY: 2802600 732.0043 2070.9192 1992.7074 115.4110 -206216.9465 17888.2843 0.0000 0.0000 34033.3446 -149384.2757 297.2217 -183417.6203 -149284.0390 298.5848 68.4402 102.7054 557851.9542 9.8224 9.8354 PRESSURE: 2802800 245.85 68.6281 64.6314 68.6282 90.7748 160.627 64.632 160.627 322.756 GPRESSURE: 2802800 325.401 149.42 29.1128 30.8026 140.399 226.422 -30.1127 140.052 281.817 PRESSAVG: 2802800 1.98784 39.1521 -35.1943 39.152 -19.8461 20.2802 -35.1944 20.2802 61.8384 GPRESSAVG: 2802800 1.17462 40.2541 -36.6707 40.5127 -18.6917 20.7387 -34.3494 22.6094 61.4933 TIMING: 2802800 CPU: 8122.65, 0.00289749/step Wall: 8122.65, 0.00289749/step, 1.76843 hours remaining, 209.480469 MB of memory in use. ENERGY: 2802800 705.8363 2060.8575 1945.0048 133.7422 -206694.8475 18178.5230 0.0000 0.0000 34200.3540 -149470.5296 298.6802 -183670.8836 -149368.8843 298.9814 219.7936 249.2056 556971.9994 14.6601 14.6587 PRESSURE: 2803000 -125.82 3.63675 48.0961 3.63713 60.4372 -165.424 48.0958 -165.423 126.273 GPRESSURE: 2803000 -90.1627 -38.0393 90.9282 -23.1829 95.7804 -129.653 11.0406 -214.907 153.527 PRESSAVG: 2803000 -31.2935 19.9977 -77.8257 19.9977 41.2678 -7.04648 -77.8256 -7.04652 8.16234 GPRESSAVG: 2803000 -31.189 18.4552 -75.5813 19.2746 41.1898 -8.335 -77.899 -6.20073 8.32756 TIMING: 2803000 CPU: 8123.23, 0.00288723/step Wall: 8123.23, 0.00288722/step, 1.76201 hours remaining, 209.480469 MB of memory in use. ENERGY: 2803000 751.7387 2148.8640 1969.8582 115.6621 -206378.4596 17991.1866 0.0000 0.0000 34159.0176 -149242.1323 298.3192 -183401.1498 -149143.5465 298.4163 20.2966 53.0484 559036.8551 6.0456 6.1095 PRESSURE: 2803200 -47.5229 -76.7096 -53.4799 -76.7097 -120.064 -38.1343 -53.4802 -38.1355 -137.428 GPRESSURE: 2803200 -58.5811 -41.704 -85.7244 -20.2493 -102.009 80.4322 -89.1842 -57.059 -60.2947 PRESSAVG: 2803200 -74.8217 -3.51615 -5.31894 -3.51617 41.9714 13.6182 -5.31887 13.6182 21.8825 GPRESSAVG: 2803200 -75.098 -2.55573 -6.29216 -3.45947 41.5925 12.8056 -6.27991 12.7754 22.4754 TIMING: 2803200 CPU: 8123.81, 0.00291685/step Wall: 8123.81, 0.00291685/step, 1.77993 hours remaining, 209.480469 MB of memory in use. ENERGY: 2803200 766.5968 2079.6650 1962.6136 114.0386 -206457.2427 17933.6694 0.0000 0.0000 34180.2764 -149420.3829 298.5049 -183600.6593 -149323.8008 298.4624 -101.6719 -73.6282 558226.2619 -3.6559 -3.6767 PRESSURE: 2803400 -163.903 -188.396 96.0475 -188.396 33.5044 -146.429 96.0475 -146.429 -21.1972 GPRESSURE: 2803400 -126.774 -207.769 92.724 -131.607 109.801 -181.037 92.5153 -89.9212 -36.975 PRESSAVG: 2803400 -43.6215 -76.0972 10.7501 -76.0972 45.1986 -0.90321 10.7501 -0.903112 -33.7057 GPRESSAVG: 2803400 -42.3417 -77.1865 9.49103 -76.5266 45.0857 -1.00575 13.096 -0.931545 -34.9701 TIMING: 2803400 CPU: 8124.4, 0.0029256/step Wall: 8124.4, 0.0029256/step, 1.78511 hours remaining, 209.480469 MB of memory in use. ENERGY: 2803400 760.0729 2100.0273 1936.9764 114.7425 -206689.7884 18181.6384 0.0000 0.0000 34060.6047 -149535.7262 297.4597 -183596.3309 -149441.0630 299.0661 -50.5318 -17.9828 557900.4521 -10.7095 -10.7421 PRESSURE: 2803600 -58.4117 -17.7223 92.7249 -17.7223 106.688 59.3361 92.7247 59.3357 65.4519 GPRESSURE: 2803600 -67.8699 -46.3199 97.8605 38.6746 157.945 39.6665 82.1895 32.3494 130.771 PRESSAVG: 2803600 -27.0616 -31.4243 84.5876 -31.4242 88.8215 9.52614 84.5874 9.52611 -24.4592 GPRESSAVG: 2803600 -28.4099 -31.4434 86.8669 -30.5234 88.9363 9.90456 81.2411 9.85937 -23.4964 TIMING: 2803600 CPU: 8124.98, 0.00290807/step Wall: 8124.98, 0.00290807/step, 1.77424 hours remaining, 209.480469 MB of memory in use. ENERGY: 2803600 751.9069 2079.5416 1953.8826 115.6605 -206663.6151 17978.3242 0.0000 0.0000 34338.9852 -149445.3141 299.8909 -183784.2994 -149345.8424 297.6836 37.9093 73.6154 557041.6073 12.4336 12.3433 PRESSURE: 2803800 -368.08 150.108 -53.8072 150.109 -108.824 144.306 -53.8076 144.307 -221.551 GPRESSURE: 2803800 -311.622 144.148 -109.306 155.059 -119.848 169.782 8.61857 69.3026 -176.926 PRESSAVG: 2803800 -45.6554 43.4275 16.572 43.4275 58.2863 45.2255 16.572 45.2255 -15.9965 GPRESSAVG: 2803800 -45.423 42.327 14.6996 41.9276 58.0401 43.9163 17.7812 45.3709 -16.4669 TIMING: 2803800 CPU: 8125.56, 0.00290713/step Wall: 8125.56, 0.00290713/step, 1.77351 hours remaining, 209.480469 MB of memory in use. ENERGY: 2803800 780.5775 2073.4266 1959.9364 105.8961 -206106.9842 17558.4704 0.0000 0.0000 33969.9329 -149658.7443 296.6679 -183628.6772 -149568.8148 297.7792 -232.8180 -202.7987 558173.5201 -1.1219 -1.2833 PRESSURE: 2804000 104.503 14.6244 -139.995 14.6253 -335.506 46.8773 -139.995 46.8765 49.5194 GPRESSURE: 2804000 92.2525 65.3816 -174.775 -16.1318 -235.502 30.9621 -100.227 -1.96183 55.1001 PRESSAVG: 2804000 -7.64106 49.3835 -13.5407 49.3836 -41.4077 39.7028 -13.5407 39.7027 38.8954 GPRESSAVG: 2804000 -7.54521 51.7576 -13.2338 49.2531 -42.0292 39.6622 -14.1331 39.0462 39.1857 TIMING: 2804000 CPU: 8126.14, 0.00289817/step Wall: 8126.14, 0.00289817/step, 1.76789 hours remaining, 209.480469 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: 2804000 734.3610 2010.5157 1964.6248 120.5875 -206478.3861 17974.9320 0.0000 0.0000 34256.5139 -149416.8512 299.1707 -183673.3650 -149320.1702 298.1690 -60.4946 -29.3832 557779.5469 -3.3844 -3.4629 PRESSURE: 2804200 -54.5869 -135.013 -50.8079 -135.013 -54.385 -16.2609 -50.8087 -16.262 123.351 GPRESSURE: 2804200 -2.84873 -155.354 -27.8795 -100.011 23.2982 29.8948 20.184 9.95517 95.1843 PRESSAVG: 2804200 33.5441 -52.0591 20.0096 -52.059 -18.5708 -4.73629 20.0096 -4.73638 52.2133 GPRESSAVG: 2804200 34.395 -53.0463 21.2403 -52.8536 -19.5734 -1.14063 20.425 -5.90606 52.6254 TIMING: 2804200 CPU: 8126.72, 0.00289049/step Wall: 8126.72, 0.00289049/step, 1.76304 hours remaining, 209.480469 MB of memory in use. ENERGY: 2804200 775.2678 2101.4196 1943.6926 100.2750 -206219.9783 17976.5996 0.0000 0.0000 34006.9560 -149315.7677 296.9912 -183322.7237 -149218.9717 298.7892 4.7930 38.5446 558736.3386 22.3955 22.4823 LDB: ============= START OF LOAD BALANCING ============== 8130.1 LDB: ============== END OF LOAD BALANCING =============== 8130.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8130.11 LDB: ============= START OF LOAD BALANCING ============== 8130.4 LDB: Largest compute 4820 load 0.025346 is 21.5% of average load 0.117877 LDB: Average compute 0.001757 is 1.5% of average load 0.117877 LDB: TIME 8130.4 LOAD: AVG 0.117877 MAX 0.179865 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.516 MB LDB: TIME 8130.4 LOAD: AVG 0.117877 MAX 0.179865 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.52 MB LDB: TIME 8130.4 LOAD: AVG 0.117877 MAX 0.179865 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8130.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8130.41 PRESSURE: 2804400 -281.509 -48.3634 -11.4838 -48.3648 -26.9814 64.8557 -11.4827 64.8568 -178.459 GPRESSURE: 2804400 -210.845 -44.5285 -26.221 -57.0491 -16.5928 178.447 -19.7561 -17.3061 -169.546 PRESSAVG: 2804400 39.6166 -54.1712 -20.3027 -54.1712 -71.9464 12.1286 -20.3027 12.1286 -12.4522 GPRESSAVG: 2804400 40.0389 -56.8903 -21.0229 -52.977 -72.1009 9.94554 -20.6456 13.5147 -12.9757 TIMING: 2804400 CPU: 8127.31, 0.00295763/step Wall: 8127.31, 0.00295763/step, 1.80382 hours remaining, 208.421875 MB of memory in use. ENERGY: 2804400 713.2906 2094.3000 1929.7423 122.3670 -205976.2668 17622.1318 0.0000 0.0000 34184.2584 -149310.1767 298.5396 -183494.4351 -149215.6530 298.4589 -162.3163 -132.3278 559400.8753 -14.9273 -15.0126 PRESSURE: 2804600 233.756 -32.813 204.729 -32.8151 -120.362 13.0885 204.728 13.0888 -226.747 GPRESSURE: 2804600 263.115 -97.4471 152.916 89.9766 -58.0842 51.828 217.136 82.046 -219.638 PRESSAVG: 2804600 30.092 -12.6973 36.5936 -12.6974 4.71798 22.4599 36.5936 22.46 -24.2047 GPRESSAVG: 2804600 29.6995 -11.0949 37.1923 -11.1616 5.83053 24.1061 34.7231 21.7289 -24.0558 TIMING: 2804600 CPU: 8127.89, 0.00288749/step Wall: 8127.89, 0.00288749/step, 1.76089 hours remaining, 208.664062 MB of memory in use. ENERGY: 2804600 765.4452 2015.5526 1996.4573 118.7476 -206020.2587 17782.4088 0.0000 0.0000 34131.4166 -149210.2306 298.0782 -183341.6472 -149111.2540 298.0296 -37.7840 -4.8691 557439.8503 3.5351 3.8247 PRESSURE: 2804800 -175.774 -20.8499 -10.7919 -20.8495 -205.537 -8.19641 -10.7921 -8.19633 36.8206 GPRESSURE: 2804800 -207.91 -63.3894 22.132 42.9705 -133.888 29.1461 -31.2059 -136.141 79.0147 PRESSAVG: 2804800 28.9016 10.9545 23.9428 10.9546 18.2145 2.17027 23.9427 2.17024 -83.962 GPRESSAVG: 2804800 28.3626 10.5603 25.2812 10.1679 18.5065 1.50969 23.8059 3.25977 -83.7943 TIMING: 2804800 CPU: 8128.47, 0.00289795/step Wall: 8128.47, 0.00289795/step, 1.76711 hours remaining, 208.664062 MB of memory in use. ENERGY: 2804800 762.7017 2088.7095 1984.3818 125.3516 -206052.2574 17708.4992 0.0000 0.0000 34264.9225 -149117.6910 299.2441 -183382.6135 -149021.4822 299.1412 -114.8304 -87.5947 559378.8364 -12.2820 -12.3084 PRESSURE: 2805000 341.416 -6.43123 -108.902 -6.42987 122.04 98.1212 -108.901 98.121 84.2759 GPRESSURE: 2805000 358.737 -72.4256 -124.274 45.4959 186.13 76.1107 -21.534 47.8028 112.577 PRESSAVG: 2805000 -2.55381 -28.0297 31.2566 -28.0296 -47.7722 -91.0835 31.2566 -91.0835 75.3001 GPRESSAVG: 2805000 -3.04852 -25.4922 27.8352 -30.5885 -46.3338 -93.521 35.1598 -90.6189 75.1015 TIMING: 2805000 CPU: 8129.04, 0.00287953/step Wall: 8129.04, 0.00287953/step, 1.75571 hours remaining, 208.664062 MB of memory in use. ENERGY: 2805000 695.0566 2031.9755 1968.6169 110.8803 -206508.8748 18251.4175 0.0000 0.0000 34351.5705 -149099.3574 300.0008 -183450.9279 -148996.2624 299.6895 182.5773 219.1479 560875.3671 8.3247 8.5731 PRESSURE: 2805200 81.1547 -140.306 10.2182 -140.305 229.761 57.2839 10.2182 57.2832 -138.051 GPRESSURE: 2805200 130.642 -154.273 27.8274 -122.443 206.747 79.055 -1.5921 62.3691 -78.858 PRESSAVG: 2805200 60.9624 52.4617 1.29716 52.4617 -40.8149 -6.17352 1.29706 -6.17358 -9.06026 GPRESSAVG: 2805200 61.4715 51.479 2.25876 53.9567 -41.7331 -3.90885 -2.05279 -8.65271 -8.85892 TIMING: 2805200 CPU: 8129.62, 0.00286933/step Wall: 8129.62, 0.00286933/step, 1.74934 hours remaining, 208.664062 MB of memory in use. ENERGY: 2805200 704.1002 2072.5974 1962.2496 127.6504 -206391.3153 17987.1333 0.0000 0.0000 34328.4607 -149209.1238 299.7990 -183537.5845 -149113.7417 298.8772 57.6217 86.1767 560124.8578 3.6958 3.6265 PRESSURE: 2805400 11.3965 76.5403 102.985 76.541 -163.611 -102.483 102.985 -102.484 -41.8186 GPRESSURE: 2805400 53.8171 71.5763 54.2983 -5.97228 -114.054 -63.7666 90.2961 -94.3484 -32.0096 PRESSAVG: 2805400 16.6745 -18.9897 30.227 -18.9896 -11.1211 0.370356 30.2271 0.370317 22.5795 GPRESSAVG: 2805400 17.3088 -21.0264 30.1702 -20.0819 -11.6114 0.881342 33.0513 0.131941 21.8415 TIMING: 2805400 CPU: 8130.2, 0.00290188/step Wall: 8130.2, 0.00290188/step, 1.76902 hours remaining, 208.664062 MB of memory in use. ENERGY: 2805400 772.6467 2058.2463 1955.1577 113.1678 -206627.6184 18047.4657 0.0000 0.0000 34277.4713 -149403.4629 299.3537 -183680.9342 -149308.0545 299.6577 -64.6778 -30.7488 558444.7869 9.3776 9.1796 PRESSURE: 2805600 -36.856 58.8964 -101.804 58.8964 -36.2782 -31.5121 -101.805 -31.5111 -124.36 GPRESSURE: 2805600 29.0661 -8.81183 -107.606 61.0356 -73.6199 33.6898 -75.1592 3.57766 -60.5121 PRESSAVG: 2805600 62.8891 -50.7444 68.1836 -50.7445 5.2949 20.36 68.1837 20.3599 -16.9105 GPRESSAVG: 2805600 62.7638 -51.078 70.6926 -47.6962 4.87037 16.3417 65.5331 19.6364 -16.2248 TIMING: 2805600 CPU: 8130.78, 0.00289928/step Wall: 8130.78, 0.00289928/step, 1.76728 hours remaining, 208.664062 MB of memory in use. ENERGY: 2805600 735.1780 2091.8372 1956.9992 113.1136 -206722.8719 17890.5682 0.0000 0.0000 34431.3518 -149503.8239 300.6976 -183935.1756 -149404.3587 298.8255 -65.8314 -35.0220 557300.4542 17.0912 17.1365 PRESSURE: 2805800 -29.439 -36.5546 -202.862 -36.5535 110.824 122.252 -202.862 122.251 -175.401 GPRESSURE: 2805800 50.5322 -19.2775 -182.025 -53.3869 130.871 113.41 -89.949 165.786 -186.573 PRESSAVG: 2805800 47.3041 -19.3998 27.4768 -19.3999 7.31894 34.5688 27.4768 34.5687 -60.3601 GPRESSAVG: 2805800 47.5171 -18.8007 25.8784 -21.9728 8.29565 36.6355 29.4568 36.5796 -62.0617 TIMING: 2805800 CPU: 8131.36, 0.00289878/step Wall: 8131.36, 0.00289878/step, 1.76681 hours remaining, 208.664062 MB of memory in use. ENERGY: 2805800 743.6780 2104.7989 1953.0446 107.8267 -206422.7471 17859.5134 0.0000 0.0000 34034.1765 -149619.7090 297.2289 -183653.8855 -149521.3476 297.7085 -31.3387 -1.7231 558238.8131 -1.9124 -2.0830 PRESSURE: 2806000 96.5144 -22.0417 118.217 -22.0423 61.6882 -23.4697 118.218 -23.4688 99.2292 GPRESSURE: 2806000 138.751 -70.8269 70.1342 -30.5469 83.2155 47.2583 144.744 -19.5921 131.757 PRESSAVG: 2806000 82.9833 -42.1075 -31.9532 -42.1075 42.0476 -11.3538 -31.9531 -11.3539 -81.7224 GPRESSAVG: 2806000 83.0127 -39.1689 -31.7385 -42.2994 41.0507 -10.288 -32.1467 -12.1997 -80.6273 TIMING: 2806000 CPU: 8131.94, 0.00291431/step Wall: 8131.94, 0.00291431/step, 1.77611 hours remaining, 208.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2806000 743.5394 2102.1730 1946.2396 95.4204 -206543.8807 17976.7502 0.0000 0.0000 34266.1027 -149413.6555 299.2544 -183679.7582 -149322.4679 298.1684 85.8106 117.9076 557609.5423 14.4362 14.4787 PRESSURE: 2806200 89.9626 60.0924 44.2417 60.0925 -191.726 118.438 44.2417 118.439 -225.357 GPRESSURE: 2806200 142.644 48.9087 25.8043 133.544 -171.599 51.3836 44.4239 100.412 -212.165 PRESSAVG: 2806200 36.2687 58.0525 56.6518 58.0524 -9.2716 -17.3691 56.6517 -17.3691 -0.700471 GPRESSAVG: 2806200 35.3581 54.6204 56.7232 58.7132 -8.06331 -18.7654 55.8756 -16.3878 -0.615578 TIMING: 2806200 CPU: 8132.52, 0.00289764/step Wall: 8132.52, 0.00289764/step, 1.76579 hours remaining, 208.664062 MB of memory in use. ENERGY: 2806200 750.5663 2172.2285 1929.8791 105.6670 -206204.5402 17661.6467 0.0000 0.0000 34237.3013 -149347.2512 299.0029 -183584.5525 -149255.7679 299.1928 -109.0402 -80.3732 558101.1790 8.7655 8.8931 PRESSURE: 2806400 -99.0527 137.105 40.7062 137.107 -197.844 57.7711 40.7047 57.7708 -228.392 GPRESSURE: 2806400 -41.9777 155.943 92.8627 34.4967 -172.284 97.6615 17.353 19.6617 -209.66 PRESSAVG: 2806400 -18.7757 -2.10142 84.5934 -2.10135 17.351 13.3785 84.5933 13.3785 -17.5008 GPRESSAVG: 2806400 -17.4277 -2.06882 83.7999 -2.36601 16.3304 14.385 84.7857 12.9035 -18.2026 TIMING: 2806400 CPU: 8133.1, 0.00292489/step Wall: 8133.1, 0.00292489/step, 1.78223 hours remaining, 208.785156 MB of memory in use. ENERGY: 2806400 746.3800 2163.5966 1920.8014 119.1562 -206025.8937 17580.0235 0.0000 0.0000 34234.9404 -149260.9956 298.9822 -183495.9361 -149163.9821 299.3129 -175.0962 -141.3070 558003.5873 -6.3085 -6.4333 PRESSURE: 2806600 288.957 14.9325 18.451 14.9328 55.737 27.3635 18.451 27.3633 -137.287 GPRESSURE: 2806600 267.933 89.7559 148.254 33.7553 70.2398 11.8679 -24.1821 37.8334 -38.0409 PRESSAVG: 2806600 -33.7567 65.919 33.3136 65.919 -6.33287 -21.7285 33.3136 -21.7284 21.6794 GPRESSAVG: 2806600 -34.7728 68.7921 30.3629 65.184 -7.37548 -22.8644 33.634 -20.4359 23.6866 TIMING: 2806600 CPU: 8133.68, 0.00288044/step Wall: 8133.68, 0.00288044/step, 1.75499 hours remaining, 208.785156 MB of memory in use. ENERGY: 2806600 746.3775 2109.2748 1970.1808 116.6778 -206482.1142 17890.7846 0.0000 0.0000 34046.9047 -149601.9139 297.3401 -183648.8187 -149510.3420 298.7754 69.1355 100.0439 554210.8893 -6.1367 -6.1539 PRESSURE: 2806800 305.488 -89.6878 -100.589 -89.6897 209.432 -92.3857 -100.588 -92.3842 289.014 GPRESSURE: 2806800 364.8 -19.0796 -17.6609 -188.431 251.649 -140.737 -105.3 -63.3752 287.268 PRESSAVG: 2806800 18.8679 2.64403 -11.4595 2.64404 23.2981 -33.1397 -11.4596 -33.1397 -18.4561 GPRESSAVG: 2806800 18.5184 1.9338 -10.5459 2.39478 24.4196 -31.8268 -11.5257 -34.1354 -19.2499 TIMING: 2806800 CPU: 8134.26, 0.00290087/step Wall: 8134.26, 0.00290087/step, 1.76727 hours remaining, 208.785156 MB of memory in use. ENERGY: 2806800 736.7148 2099.8491 1945.4104 106.4383 -206934.9287 18230.7462 0.0000 0.0000 34304.4977 -149511.2722 299.5897 -183815.7699 -149414.8100 297.8143 267.9782 301.2393 554546.0172 7.9033 7.8961 PRESSURE: 2807000 -127.718 -155.258 -81.9105 -155.258 40.6234 -101.963 -81.9101 -101.963 -185.359 GPRESSURE: 2807000 -149.841 -118.743 -174.767 -142.034 42.7081 -33.6326 -30.7171 -65.5891 -78.0173 PRESSAVG: 2807000 -0.550575 -45.0243 -31.3206 -45.0243 44.4461 -56.7687 -31.3205 -56.7687 -23.5914 GPRESSAVG: 2807000 -0.156085 -45.7336 -29.4032 -42.1377 44.9229 -57.8147 -31.6183 -57.1342 -24.9832 TIMING: 2807000 CPU: 8134.84, 0.00289438/step Wall: 8134.84, 0.00289438/step, 1.76316 hours remaining, 208.785156 MB of memory in use. ENERGY: 2807000 721.5023 2107.2399 1970.8233 116.6386 -206154.6911 17639.9475 0.0000 0.0000 34237.3232 -149361.2162 299.0031 -183598.5394 -149258.7929 298.8011 -90.8179 -61.7167 558442.5384 6.7680 6.5945 PRESSURE: 2807200 -443.371 104.817 -228.582 104.817 98.796 118.677 -228.584 118.678 -149.2 GPRESSURE: 2807200 -348.238 185.391 -158.441 51.5231 112.446 80.3378 -217.567 94.2745 -159.126 PRESSAVG: 2807200 -61.9556 8.97921 -95.5228 8.97903 77.548 -38.9149 -95.5228 -38.9149 -34.6165 GPRESSAVG: 2807200 -61.2822 9.49447 -94.7723 6.76953 76.4938 -38.768 -97.2708 -37.4315 -34.1689 TIMING: 2807200 CPU: 8135.42, 0.00291034/step Wall: 8135.42, 0.00291034/step, 1.77272 hours remaining, 208.785156 MB of memory in use. ENERGY: 2807200 712.8390 2061.4078 1960.3320 102.2687 -206355.1046 17751.6035 0.0000 0.0000 34325.1120 -149441.5416 299.7697 -183766.6536 -149337.0395 298.9967 -164.5916 -131.6395 559420.9970 -6.3414 -6.3191 PRESSURE: 2807400 171.073 30.4417 -196.26 30.4427 206.903 -61.4615 -196.259 -61.4616 285.342 GPRESSURE: 2807400 205.281 46.9959 -276.435 4.48843 205.666 0.133441 -143.81 -4.89562 345.313 PRESSAVG: 2807400 -67.2621 56.0816 -34.5419 56.0815 71.6052 28.885 -34.5419 28.885 46.9624 GPRESSAVG: 2807400 -67.539 54.3452 -35.1452 56.157 72.141 29.8548 -35.2941 28.2154 46.8412 TIMING: 2807400 CPU: 8136, 0.00288997/step Wall: 8136, 0.00288997/step, 1.76015 hours remaining, 208.785156 MB of memory in use. ENERGY: 2807400 749.1258 2127.1492 1971.7029 119.4488 -206659.4607 18194.8311 0.0000 0.0000 34144.2311 -149352.9718 298.1901 -183497.2029 -149258.3271 298.6816 221.1060 252.0867 557340.6933 17.1018 17.1477 PRESSURE: 2807600 62.3578 217.997 3.61509 217.996 345.131 -13.6266 3.61504 -13.6293 405.718 GPRESSURE: 2807600 117.686 236.523 52.65 261.679 382.127 34.1923 -23.3321 -47.8634 406.963 PRESSAVG: 2807600 -75.6926 58.7744 9.84257 58.7745 62.2312 -66.4432 9.84257 -66.4433 3.8137 GPRESSAVG: 2807600 -74.2455 60.727 9.00415 58.3432 62.2053 -68.0689 12.5091 -68.2663 2.74219 TIMING: 2807600 CPU: 8136.58, 0.00290888/step Wall: 8136.58, 0.00290888/step, 1.77151 hours remaining, 208.785156 MB of memory in use. ENERGY: 2807600 754.3555 2132.6240 1972.2255 129.1495 -206819.0025 18327.4317 0.0000 0.0000 34118.3402 -149384.8761 297.9640 -183503.2163 -149286.8041 298.3259 271.0690 302.2588 557227.2971 -3.2159 -3.0993 PRESSURE: 2807800 35.2001 -44.7014 298.631 -44.7005 -60.2265 126.271 298.631 126.27 -72.0987 GPRESSURE: 2807800 46.1608 -17.1493 246.751 -104.961 -21.8642 79.7819 304.862 185.063 -30.4985 PRESSAVG: 2807800 -13.1385 77.2246 20.8406 77.2247 8.81724 41.2689 20.8406 41.2691 -22.6509 GPRESSAVG: 2807800 -14.998 78.4787 20.1438 76.6024 9.75906 39.4501 18.9183 43.1849 -21.8409 TIMING: 2807800 CPU: 8137.16, 0.00291354/step Wall: 8137.16, 0.00291354/step, 1.77419 hours remaining, 208.785156 MB of memory in use. ENERGY: 2807800 746.2188 2099.7185 1982.9747 117.5955 -206449.9394 17736.4243 0.0000 0.0000 34383.4159 -149383.5917 300.2789 -183767.0076 -149285.3184 298.5372 -32.3750 -2.0673 556403.7964 -8.9907 -9.0266 PRESSURE: 2808000 -124.757 38.1256 82.1202 38.1258 -152.831 -114.783 82.12 -114.783 30.1812 GPRESSURE: 2808000 -56.9844 63.914 67.3995 105.513 -130.039 -126.289 141.003 -99.0037 50.7624 PRESSAVG: 2808000 11.4697 -17.9673 50.0104 -17.9673 -13.4509 49.9879 50.0104 49.9879 16.6502 GPRESSAVG: 2808000 12.3677 -19.2531 49.8991 -16.8138 -13.4285 52.2296 52.3509 48.5429 15.934 TIMING: 2808000 CPU: 8137.74, 0.00288181/step Wall: 8137.74, 0.00288181/step, 1.7547 hours remaining, 208.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2808000 763.5760 2133.9479 1960.0307 112.6291 -206416.0327 17696.0846 0.0000 0.0000 34323.7245 -149426.0398 299.7576 -183749.7644 -149326.6023 299.3167 -82.4687 -45.4203 557332.2851 4.8897 4.9578 PRESSURE: 2808200 -79.4819 22.1841 97.6596 22.1842 174.089 5.0473 97.6603 5.04681 289.724 GPRESSURE: 2808200 26.1633 67.5511 113.011 -70.8094 189.408 -18.1582 93.4414 -0.939099 269.555 PRESSAVG: 2808200 -11.9165 24.2917 10.3037 24.2916 24.3391 10.6479 10.3038 10.6479 40.0511 GPRESSAVG: 2808200 -10.7996 23.0638 10.8613 23.6711 23.252 9.3865 9.37608 12.4121 39.9538 TIMING: 2808200 CPU: 8138.32, 0.00290078/step Wall: 8138.32, 0.00290078/step, 1.76609 hours remaining, 208.785156 MB of memory in use. ENERGY: 2808200 720.2043 2068.3856 1973.4624 119.7501 -206264.2535 17839.4395 0.0000 0.0000 34246.5814 -149296.4301 299.0839 -183543.0115 -149205.1067 299.4965 128.1103 161.7086 556775.9565 17.4912 17.4687 LDB: ============= START OF LOAD BALANCING ============== 8141.71 LDB: ============== END OF LOAD BALANCING =============== 8141.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8141.71 LDB: ============= START OF LOAD BALANCING ============== 8142 LDB: Largest compute 4800 load 0.025798 is 21.9% of average load 0.117959 LDB: Average compute 0.001750 is 1.5% of average load 0.117959 LDB: TIME 8142 LOAD: AVG 0.117959 MAX 0.180148 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.234 MB LDB: TIME 8142 LOAD: AVG 0.117959 MAX 0.180148 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.234 MB LDB: TIME 8142 LOAD: AVG 0.117959 MAX 0.180148 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8142.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8142.01 PRESSURE: 2808400 113.859 25.9451 -3.50912 25.9436 220.24 12.5034 -3.50954 12.5017 -123.073 GPRESSURE: 2808400 167.918 -11.1319 -122.075 46.7275 248.341 -7.82338 90.9555 -26.6556 -100.471 PRESSAVG: 2808400 -37.2036 18.2372 -49.7331 18.2373 55.3823 -30.9946 -49.733 -30.9945 -12.9359 GPRESSAVG: 2808400 -37.8515 16.8978 -49.54 19.2031 55.1948 -30.333 -50.7584 -31.4382 -11.7883 TIMING: 2808400 CPU: 8138.91, 0.00296448/step Wall: 8138.91, 0.00296448/step, 1.80471 hours remaining, 208.746094 MB of memory in use. ENERGY: 2808400 775.0131 2146.1338 1939.6237 124.6474 -206042.4310 17934.0353 0.0000 0.0000 33960.7197 -149162.2581 296.5874 -183122.9778 -149072.4882 299.0535 70.3419 105.2627 558030.5179 1.7476 1.8517 PRESSURE: 2808600 46.4265 11.4771 -20.8576 11.4767 110.993 20.5697 -20.8565 20.5707 -75.9841 GPRESSURE: 2808600 71.5928 13.8916 -45.1152 -26.0375 133.048 29.5899 20.3226 82.335 -22.6624 PRESSAVG: 2808600 27.1912 38.9098 -14.1622 38.9097 -58.193 24.1764 -14.1621 24.1764 44.5005 GPRESSAVG: 2808600 28.6218 40.7225 -12.5243 36.8617 -58.4987 23.3331 -14.0391 23.0351 43.5961 TIMING: 2808600 CPU: 8139.49, 0.00288881/step Wall: 8139.49, 0.00288881/step, 1.75848 hours remaining, 209.003906 MB of memory in use. ENERGY: 2808600 735.5556 2130.8179 1979.0155 108.7120 -206379.6220 18081.6303 0.0000 0.0000 34236.7762 -149107.1146 298.9983 -183343.8908 -149013.6763 299.4484 27.1450 60.6595 557291.8216 4.4996 4.5730 PRESSURE: 2808800 104.959 80.7738 -119.839 80.7744 148.498 55.008 -119.839 55.0094 19.5743 GPRESSURE: 2808800 117.837 -20.0733 -131.763 212.202 174.076 24.2732 -145.136 86.8315 82.7792 PRESSAVG: 2808800 -60.9562 -35.5782 3.95567 -35.5782 -23.1665 -16.8553 3.95568 -16.8553 65.8155 GPRESSAVG: 2808800 -61.4221 -33.7703 1.23774 -34.4921 -22.3573 -16.1968 5.95184 -16.8887 66.0672 TIMING: 2808800 CPU: 8140.07, 0.00288187/step Wall: 8140.07, 0.00288187/step, 1.7541 hours remaining, 209.003906 MB of memory in use. ENERGY: 2808800 716.5746 2170.6168 1931.9755 114.6858 -206101.0568 17882.0670 0.0000 0.0000 34068.2162 -149216.9209 297.5262 -183285.1371 -149118.5996 299.6126 91.0107 124.8972 558720.9713 -6.1024 -5.9040 PRESSURE: 2809000 -126.007 -5.85109 65.1459 -5.8511 -197.982 -34.7917 65.1468 -34.7919 -191.559 GPRESSURE: 2809000 -68.9512 -36.9152 46.3237 -36.8786 -162.472 -39.598 46.8654 69.5639 -175.528 PRESSAVG: 2809000 -28.1152 -24.638 -45.9558 -24.6379 -36.7651 12.9226 -45.9558 12.9226 4.92103 GPRESSAVG: 2809000 -28.1669 -27.4989 -44.7156 -26.1629 -37.256 13.4163 -45.9592 13.0552 5.65945 TIMING: 2809000 CPU: 8140.65, 0.00290117/step Wall: 8140.65, 0.00290117/step, 1.76568 hours remaining, 209.003906 MB of memory in use. ENERGY: 2809000 781.1125 2097.8998 1949.2303 111.6861 -205866.6416 17510.8992 0.0000 0.0000 34016.1291 -149399.6847 297.0713 -183415.8137 -149301.4259 298.7470 -171.8493 -135.6504 556327.1851 -19.9864 -19.9212 PRESSURE: 2809200 -107.337 -299.952 79.7348 -299.952 -0.213472 -29.1417 79.7351 -29.1416 3.71353 GPRESSURE: 2809200 -118.424 -226.717 80.6231 -298.458 50.6273 -137.279 -4.43574 -48.8887 50.2231 PRESSAVG: 2809200 11.0802 -70.1597 9.95785 -70.1596 1.25689 -18.1909 9.95776 -18.1909 19.2925 GPRESSAVG: 2809200 10.4198 -67.8321 10.7623 -69.7592 1.09705 -19.8183 8.12206 -17.0652 20.5008 TIMING: 2809200 CPU: 8141.23, 0.00289427/step Wall: 8141.23, 0.00289427/step, 1.76133 hours remaining, 209.003906 MB of memory in use. ENERGY: 2809200 708.6038 2198.8106 1926.6007 112.5966 -206314.9171 17747.2862 0.0000 0.0000 34159.7168 -149461.3024 298.3253 -183621.0191 -149358.5289 298.9658 -34.6123 -5.8579 555630.3616 10.5432 10.6726 PRESSURE: 2809400 193.142 -13.8323 0.348542 -13.8322 175.354 155.604 0.348172 155.605 -128.523 GPRESSURE: 2809400 235.238 -0.526497 23.7325 14.2432 230.107 102.296 -75.9253 157.861 -111.485 PRESSAVG: 2809400 16.7617 -17.0404 17.7574 -17.0404 11.0359 10.4938 17.7575 10.4936 9.44747 GPRESSAVG: 2809400 16.6006 -17.2918 17.348 -16.0057 11.037 12.1213 18.2987 11.0269 9.57705 TIMING: 2809400 CPU: 8141.81, 0.00291554/step Wall: 8141.81, 0.00291553/step, 1.7741 hours remaining, 209.003906 MB of memory in use. ENERGY: 2809400 675.1838 2135.0439 1919.7118 104.1347 -206051.5134 17712.8944 0.0000 0.0000 34105.2360 -149399.3088 297.8495 -183504.5447 -149294.7048 298.6093 79.9907 117.9533 556999.2737 12.4150 12.4049 PRESSURE: 2809600 -293.221 17.2208 168.276 17.2209 120.078 -31.0106 168.278 -31.0104 -2.55398 GPRESSURE: 2809600 -243.088 47.5838 207.05 -59.357 164.141 -47.5544 138.702 -33.9882 -5.97566 PRESSAVG: 2809600 -25.6892 48.041 -27.6133 48.0411 -31.9535 -24.4563 -27.6132 -24.4563 22.3004 GPRESSAVG: 2809600 -26.0641 46.7969 -29.0076 45.6659 -30.8651 -25.7227 -27.2215 -23.3797 21.3832 TIMING: 2809600 CPU: 8142.39, 0.00288326/step Wall: 8142.39, 0.00288326/step, 1.75431 hours remaining, 209.003906 MB of memory in use. ENERGY: 2809600 737.3061 2055.8557 1945.0227 110.2061 -206062.8798 17672.6650 0.0000 0.0000 34224.5400 -149317.2841 298.8914 -183541.8241 -149226.0616 298.4940 -58.5655 -28.3076 556899.7778 -11.7808 -11.8487 PRESSURE: 2809800 41.7848 -138.811 143.242 -138.811 -147.13 134.108 143.242 134.108 -181.357 GPRESSURE: 2809800 44.9533 -111.041 51.9841 -105.74 -110.114 191.381 194.781 66.1922 -121.252 PRESSAVG: 2809800 -4.1181 20.2281 35.4074 20.228 -39.5626 0.745835 35.4073 0.74576 11.556 GPRESSAVG: 2809800 -3.76495 21.0095 35.9255 22.3844 -41.179 3.03791 35.6097 -0.952058 12.5496 TIMING: 2809800 CPU: 8142.96, 0.00288448/step Wall: 8142.96, 0.00288448/step, 1.75488 hours remaining, 209.003906 MB of memory in use. ENERGY: 2809800 698.3562 2156.1449 1932.2139 102.4413 -206102.5827 17665.2385 0.0000 0.0000 34062.1668 -149486.0210 297.4734 -183548.1878 -149386.4378 298.4457 -95.5673 -62.1377 556710.7961 -10.7083 -10.7981 PRESSURE: 2810000 -192.598 248.529 70.3913 248.53 -262.125 12.8321 70.3909 12.8309 89.5766 GPRESSURE: 2810000 -142.394 223.092 -2.18308 220.646 -215.558 103.036 108.407 4.74925 88.2276 PRESSAVG: 2810000 10.0073 20.146 41.3275 20.146 18.4929 -47.2764 41.3274 -47.2764 -24.8159 GPRESSAVG: 2810000 9.29445 19.7712 42.1338 18.6322 18.6585 -47.7409 39.6219 -46.7809 -24.5035 TIMING: 2810000 CPU: 8143.54, 0.00288668/step Wall: 8143.54, 0.00288668/step, 1.75607 hours remaining, 209.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2810000 760.3117 2110.9662 1954.9772 109.9773 -205957.0501 17712.7391 0.0000 0.0000 34071.1191 -149236.9595 297.5516 -183308.0786 -149138.4009 298.7600 -121.7157 -89.9081 557645.4842 1.2281 1.1498 PRESSURE: 2810200 -131.523 98.6747 -87.1347 98.6751 -202.039 -131.329 -87.1341 -131.33 320.797 GPRESSURE: 2810200 -94.5917 99.6571 -132.301 110.699 -161.218 -99.7926 -130.144 -113.596 354.402 PRESSAVG: 2810200 -52.2998 38.0911 -20.4219 38.091 -5.16684 -17.8693 -20.4219 -17.8693 37.9469 GPRESSAVG: 2810200 -51.61 37.1425 -20.3282 39.7374 -5.28626 -18.23 -20.4977 -17.9066 37.8967 TIMING: 2810200 CPU: 8144.12, 0.0029084/step Wall: 8144.12, 0.0029084/step, 1.76912 hours remaining, 209.070312 MB of memory in use. ENERGY: 2810200 742.1323 2087.9173 1943.7491 110.3122 -206314.6339 17830.0494 0.0000 0.0000 34326.9913 -149273.4822 299.7862 -183600.4735 -149171.3418 299.0332 -4.2552 32.8640 556015.9513 -6.5066 -6.3332 PRESSURE: 2810400 -141.263 -49.6419 82.0119 -49.6432 41.1946 -49.853 82.0118 -49.8514 19.3074 GPRESSURE: 2810400 -151.77 -77.1953 87.3718 -39.3011 125.585 -22.9851 159.523 -18.8347 37.2696 PRESSAVG: 2810400 -23.5414 -50.8176 11.269 -50.8176 -11.3627 -7.20349 11.269 -7.20352 7.5988 GPRESSAVG: 2810400 -23.6109 -52.3846 11.4613 -51.8732 -11.3626 -5.76304 13.6175 -8.01384 6.77256 TIMING: 2810400 CPU: 8144.7, 0.00290511/step Wall: 8144.7, 0.00290511/step, 1.76695 hours remaining, 209.070312 MB of memory in use. ENERGY: 2810400 736.7423 2163.8312 1953.2190 101.7567 -206401.8859 17900.9537 0.0000 0.0000 34234.8903 -149310.4925 298.9818 -183545.3829 -149211.7761 299.2827 -26.9202 3.6949 556815.6994 -9.1017 -9.4003 PRESSURE: 2810600 27.9024 1.44943 -23.8176 1.4499 179.658 110.959 -23.8173 110.96 -102.701 GPRESSURE: 2810600 76.581 -51.9349 -34.5975 -24.1465 175.086 93.9554 -15.1251 50.0267 -36.2684 PRESSAVG: 2810600 -0.104883 -18.3891 30.7819 -18.389 13.2043 -11.6183 30.7819 -11.6183 -47.2694 GPRESSAVG: 2810600 -1.9784 -17.7819 29.2548 -16.8992 13.872 -13.3163 30.3952 -9.69173 -46.4346 TIMING: 2810600 CPU: 8145.28, 0.00289506/step Wall: 8145.28, 0.00289506/step, 1.76068 hours remaining, 209.070312 MB of memory in use. ENERGY: 2810600 772.3010 2097.8689 1964.6219 117.3110 -206346.1917 18054.5364 0.0000 0.0000 34267.3567 -149072.1958 299.2653 -183339.5525 -148968.2408 299.6409 34.9532 71.7996 556812.0306 -11.3900 -11.5137 PRESSURE: 2810800 103.736 -146.726 57.7053 -146.726 52.9906 39.8775 57.706 39.8754 119.618 GPRESSURE: 2810800 126.897 -113.973 41.6735 -138.166 74.6464 61.3821 -37.8882 35.7379 169.207 PRESSAVG: 2810800 33.6428 12.5777 46.069 12.5776 -12.5188 16.7525 46.0689 16.7525 35.5049 GPRESSAVG: 2810800 34.6218 14.7297 45.8421 10.6769 -13.6828 17.849 45.9458 16.0691 36.1267 TIMING: 2810800 CPU: 8145.86, 0.00291013/step Wall: 8145.86, 0.00291013/step, 1.76968 hours remaining, 209.070312 MB of memory in use. ENERGY: 2810800 771.7284 2138.1084 1972.6985 106.9190 -206424.9933 17909.4012 0.0000 0.0000 34268.4146 -149257.7231 299.2746 -183526.1377 -149159.0778 299.9220 92.1147 123.5837 556434.2645 18.8763 19.0219 PRESSURE: 2811000 -155.269 95.1741 -29.3845 95.1741 12.9154 56.1071 -29.3853 56.1079 11.5479 GPRESSURE: 2811000 -148.356 153.675 48.3931 134.629 75.0678 -35.0393 -86.9626 59.059 52.4654 PRESSAVG: 2811000 -40.2678 63.0734 0.896988 63.0734 42.4591 -24.1855 0.896926 -24.1855 -22.6977 GPRESSAVG: 2811000 -40.4542 61.6202 1.3958 63.3814 44.4116 -24.9163 0.910558 -24.0918 -24.3549 TIMING: 2811000 CPU: 8146.45, 0.00290259/step Wall: 8146.45, 0.00290259/step, 1.76493 hours remaining, 209.070312 MB of memory in use. ENERGY: 2811000 778.5184 2109.5628 1981.0803 112.3370 -206405.4898 17902.3919 0.0000 0.0000 34223.7773 -149297.8220 298.8848 -183521.5994 -149201.1722 299.2417 -43.6020 -6.9411 556894.9455 -6.8354 -6.7992 PRESSURE: 2811200 -231.504 -11.638 83.5718 -11.6374 -185.29 44.7612 83.5715 44.7621 -45.0042 GPRESSURE: 2811200 -180.224 19.1215 59.8938 -96.3682 -152.961 76.4035 132.293 15.323 -31.2911 PRESSAVG: 2811200 -36.8255 56.1839 31.1299 56.184 21.3368 -0.292763 31.13 -0.292867 17.2018 GPRESSAVG: 2811200 -34.8926 56.3485 31.9712 56.4382 19.2668 -1.37415 29.4495 -0.226613 17.408 TIMING: 2811200 CPU: 8147.03, 0.00290242/step Wall: 8147.03, 0.00290242/step, 1.76467 hours remaining, 209.070312 MB of memory in use. ENERGY: 2811200 753.2821 2028.3191 1990.6681 122.0023 -205774.5466 17520.9724 0.0000 0.0000 34076.9242 -149282.3784 297.6023 -183359.3026 -149187.1301 298.8621 -153.9325 -121.4921 557568.7446 0.5711 0.5941 PRESSURE: 2811400 200.833 -45.4481 129.341 -45.4478 205.445 69.254 129.343 69.2551 -115.012 GPRESSURE: 2811400 212.56 -8.79897 52.4661 -75.3268 228.1 37.8068 138.05 47.4026 -51.8832 PRESSAVG: 2811400 11.5523 -29.4622 62.8413 -29.4621 -40.9488 91.8743 62.8414 91.8744 24.3505 GPRESSAVG: 2811400 9.76337 -30.3235 60.9809 -27.2611 -40.9637 90.7555 62.2959 91.9182 25.8881 TIMING: 2811400 CPU: 8147.61, 0.00291609/step Wall: 8147.61, 0.00291609/step, 1.77282 hours remaining, 209.070312 MB of memory in use. ENERGY: 2811400 715.7116 2042.5351 1948.0799 120.3032 -206075.4909 17777.2659 0.0000 0.0000 34270.9224 -149200.6727 299.2965 -183471.5951 -149111.1186 299.1807 97.0890 129.5922 557508.1260 -1.6820 -1.7707 PRESSURE: 2811600 -33.5551 -116.574 105.757 -116.573 -293.053 -71.0499 105.757 -71.05 -18.8622 GPRESSURE: 2811600 -43.3227 -130.338 162.782 -54.3597 -257.988 -3.661 83.4013 -27.9448 51.2403 PRESSAVG: 2811600 5.35754 3.76491 44.701 3.76488 -4.50136 34.5923 44.701 34.5923 0.608754 GPRESSAVG: 2811600 6.0019 4.98954 45.1572 0.288062 -3.50949 38.6024 46.1025 33.2878 -1.20519 TIMING: 2811600 CPU: 8148.19, 0.00290813/step Wall: 8148.19, 0.00290813/step, 1.76782 hours remaining, 209.070312 MB of memory in use. ENERGY: 2811600 758.7916 2054.2110 1949.5891 124.0986 -206103.9855 17622.2908 0.0000 0.0000 34548.6889 -149046.3156 301.7223 -183595.0044 -148939.4305 299.8165 -115.1568 -83.3570 557165.7444 0.4883 0.4291 PRESSURE: 2811800 -209.586 112.014 97.3654 112.014 -24.2751 -95.6092 97.3651 -95.6098 -68.8043 GPRESSURE: 2811800 -199.413 75.0103 65.3689 138.52 -41.4441 -104.727 124.286 -51.0081 36.4105 PRESSAVG: 2811800 -21.3988 13.8346 -6.25371 13.8346 -0.740383 -42.3371 -6.25379 -42.3372 0.12646 GPRESSAVG: 2811800 -22.0174 11.7039 -6.4039 14.559 -0.866756 -44.2152 -7.10662 -41.0282 0.986905 TIMING: 2811800 CPU: 8148.77, 0.00288883/step Wall: 8148.77, 0.00288883/step, 1.75593 hours remaining, 209.070312 MB of memory in use. ENERGY: 2811800 758.1903 2065.5166 1951.2150 112.3184 -205587.2299 17567.6327 0.0000 0.0000 34073.6879 -149058.6690 297.5740 -183132.3569 -148958.2449 298.8970 -100.8884 -68.1490 558037.6735 -7.3376 -7.2991 PRESSURE: 2812000 31.5419 119.536 38.1636 119.536 26.2628 -53.633 38.1651 -53.6342 140.032 GPRESSURE: 2812000 61.0779 71.742 8.03665 120.744 43.6217 -29.3659 108.235 29.276 179.955 PRESSAVG: 2812000 17.1236 12.2219 6.21812 12.222 21.9022 23.7917 6.21818 23.7918 -31.5903 GPRESSAVG: 2812000 17.6319 11.7338 8.25131 13.4084 22.6351 24.5387 4.59677 21.9898 -32.5931 TIMING: 2812000 CPU: 8149.34, 0.00287271/step Wall: 8149.34, 0.00287271/step, 1.74597 hours remaining, 209.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2812000 743.5095 2071.2872 1934.0074 110.3289 -205919.3496 17679.5320 0.0000 0.0000 34155.6741 -149225.0105 298.2900 -183380.6846 -149125.2042 298.7349 65.9455 94.8848 556930.0787 2.4785 2.5580 PRESSURE: 2812200 -108.347 -117.377 44.9079 -117.377 -188.017 -97.4622 44.9078 -97.4622 39.1708 GPRESSURE: 2812200 -94.4348 -108.345 -8.83954 -70.2227 -147.606 -132.36 144.935 -139.256 74.1451 PRESSAVG: 2812200 71.6729 -43.8695 5.90749 -43.8697 -62.404 8.45189 5.90743 8.45196 26.6574 GPRESSAVG: 2812200 72.9001 -42.5796 4.19742 -43.025 -63.2039 8.29869 7.39988 8.00275 26.1141 TIMING: 2812200 CPU: 8149.92, 0.00289529/step Wall: 8149.92, 0.0028953/step, 1.75954 hours remaining, 209.070312 MB of memory in use. ENERGY: 2812200 775.8116 2035.3544 1960.3086 109.4362 -205895.9195 17534.4231 0.0000 0.0000 34101.6303 -149378.9553 297.8180 -183480.5856 -149286.4442 298.0897 -85.7310 -55.9654 556663.1281 11.9755 11.9367 LDB: ============= START OF LOAD BALANCING ============== 8153.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8153.31 LDB: =============== DONE WITH MIGRATION ================ 8153.31 LDB: ============= START OF LOAD BALANCING ============== 8153.6 LDB: Largest compute 4801 load 0.023774 is 20.2% of average load 0.117901 LDB: Average compute 0.001749 is 1.5% of average load 0.117901 LDB: TIME 8153.61 LOAD: AVG 0.117901 MAX 0.180938 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.383 MB LDB: TIME 8153.61 LOAD: AVG 0.117901 MAX 0.180938 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.383 MB LDB: TIME 8153.61 LOAD: AVG 0.117901 MAX 0.180938 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8153.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8153.61 PRESSURE: 2812400 182.669 92.8399 -111.605 92.841 -108.366 172.749 -111.604 172.747 -108.133 GPRESSURE: 2812400 172.066 48.8315 -124.886 38.3142 -85.2836 118.8 -130.269 185.29 -30.7198 PRESSAVG: 2812400 -34.1961 -3.67715 -3.1254 -3.67717 26.409 8.01572 -3.12551 8.01562 26.5385 GPRESSAVG: 2812400 -34.8205 -3.69033 -4.51946 -6.16686 26.3276 6.81516 -3.23617 10.6861 26.6979 TIMING: 2812400 CPU: 8150.52, 0.00297381/step Wall: 8150.52, 0.00297381/step, 1.80708 hours remaining, 209.335938 MB of memory in use. ENERGY: 2812400 735.5149 2029.1244 1948.3635 107.8717 -206379.4791 17838.4630 0.0000 0.0000 34363.2500 -149356.8917 300.1028 -183720.1416 -149259.6939 298.9973 -11.2768 18.6876 557298.4027 6.2505 6.0683 PRESSURE: 2812600 -402.906 36.2741 90.2168 36.275 -348.261 63.4236 90.2163 63.424 -370.854 GPRESSURE: 2812600 -393.367 102.396 105.313 7.34586 -368.092 70.7519 29.8167 28.4783 -264.37 PRESSAVG: 2812600 77.5452 32.5031 6.89127 32.5031 -57.4793 -29.5985 6.89131 -29.5984 -52.6057 GPRESSAVG: 2812600 76.2271 33.3889 8.43838 33.4354 -56.7466 -28.0655 6.45002 -31.8154 -52.398 TIMING: 2812600 CPU: 8151.1, 0.00289118/step Wall: 8151.1, 0.00289118/step, 1.75671 hours remaining, 209.406250 MB of memory in use. ENERGY: 2812600 758.3777 2053.0769 1970.5364 109.8033 -206096.1592 17590.2360 0.0000 0.0000 34228.6152 -149385.5135 298.9270 -183614.1287 -149286.9397 299.0869 -374.0067 -341.9432 558851.6908 -10.8466 -10.9725 PRESSURE: 2812800 -273.546 16.7355 -54.6474 16.7357 -415.111 10.3995 -54.646 10.3995 -236.577 GPRESSURE: 2812800 -260.544 60.3032 -17.8026 45.4738 -349.324 -7.26092 -21.8221 -37.4942 -207.087 PRESSAVG: 2812800 -39.2308 35.0076 -53.9441 35.0076 -1.05294 11.6652 -53.9441 11.6653 79.7034 GPRESSAVG: 2812800 -40.212 35.6123 -55.9735 35.2373 -0.665937 10.4557 -52.3218 12.2862 79.901 TIMING: 2812800 CPU: 8151.68, 0.00290098/step Wall: 8151.68, 0.00290098/step, 1.76251 hours remaining, 209.406250 MB of memory in use. ENERGY: 2812800 724.1399 2064.9674 1948.0718 104.9417 -205804.1926 17393.7664 0.0000 0.0000 34481.9013 -149086.4040 301.1390 -183568.3053 -148992.7035 299.8683 -308.4114 -272.3185 557544.9451 13.1399 13.0077 PRESSURE: 2813000 -42.9223 138.254 174.409 138.253 -99.1745 56.7616 174.41 56.7618 -46.4801 GPRESSURE: 2813000 -77.0999 127.37 129.637 147.026 -50.0154 75.4295 160.552 115.416 34.6612 PRESSAVG: 2813000 63.4875 26.2038 -9.96872 26.2038 -71.0648 41.4727 -9.96875 41.4727 -2.39804 GPRESSAVG: 2813000 64.1191 23.953 -12.0105 27.3115 -72.7681 42.3471 -9.27206 42.9654 -1.35377 TIMING: 2813000 CPU: 8152.25, 0.0028876/step Wall: 8152.25, 0.0028876/step, 1.75422 hours remaining, 209.406250 MB of memory in use. ENERGY: 2813000 705.2849 2046.9901 1939.3461 108.9266 -205929.7195 17673.9235 0.0000 0.0000 34372.9340 -149082.3144 300.1874 -183455.2484 -148982.5979 299.7786 -62.8590 -30.8180 557806.2227 -3.3251 -3.3343 PRESSURE: 2813200 -3.43904 -9.40455 -119.046 -9.40494 -360.189 45.1607 -119.047 45.1607 -65.2035 GPRESSURE: 2813200 35.3278 17.584 -37.711 -74.8475 -306.075 128.626 -170.217 42.9311 -56.1567 PRESSAVG: 2813200 -3.90884 -11.7579 -33.8875 -11.7579 36.3413 30.7039 -33.8875 30.7037 -16.3451 GPRESSAVG: 2813200 -2.7215 -10.313 -30.5502 -13.95 35.7842 29.6121 -35.5617 30.2762 -16.5151 TIMING: 2813200 CPU: 8152.83, 0.00289472/step Wall: 8152.83, 0.00289472/step, 1.75838 hours remaining, 209.660156 MB of memory in use. ENERGY: 2813200 687.0368 2034.7780 1963.1957 111.1270 -205701.5235 17521.4623 0.0000 0.0000 34302.9895 -149080.9342 299.5765 -183383.9238 -148985.4049 299.7981 -142.9439 -108.9681 558657.6924 5.3624 5.5159 PRESSURE: 2813400 -45.6312 63.3932 -34.6316 63.3938 -176.013 135.079 -34.632 135.078 -272.09 GPRESSURE: 2813400 -10.5912 109.724 -25.2889 30.3472 -69.2335 153.835 -2.12643 114.812 -303.2 PRESSAVG: 2813400 9.49799 -31.9126 9.57919 -31.9126 -48.5632 25.9145 9.57926 25.9144 27.2396 GPRESSAVG: 2813400 10.1462 -31.491 9.72571 -28.4518 -47.4632 25.0357 10.4214 25.1832 26.4774 TIMING: 2813400 CPU: 8153.41, 0.00290641/step Wall: 8153.41, 0.00290642/step, 1.76532 hours remaining, 209.660156 MB of memory in use. ENERGY: 2813400 757.3198 2009.8696 1958.9913 113.2121 -206017.4596 17747.2049 0.0000 0.0000 34283.6513 -149147.2106 299.4077 -183430.8619 -149043.3118 299.5663 -164.5780 -127.6750 558838.1574 -3.9419 -3.6132 PRESSURE: 2813600 -22.7294 -76.8752 -72.3084 -76.8753 95.1547 -107.712 -72.307 -107.711 -66.7836 GPRESSURE: 2813600 35.1361 -147.339 -50.497 -55.2486 90.3969 -98.993 -108.575 -122.078 -26.6426 PRESSAVG: 2813600 15.4726 18.833 16.048 18.8331 10.9366 19.1886 16.048 19.1886 -38.3776 GPRESSAVG: 2813600 14.3934 16.3213 16.3284 18.7842 10.9278 19.8253 14.6681 20.4055 -37.6009 TIMING: 2813600 CPU: 8153.99, 0.00288621/step Wall: 8153.99, 0.00288621/step, 1.75289 hours remaining, 209.660156 MB of memory in use. ENERGY: 2813600 733.1774 2038.1741 1946.7249 108.4744 -205936.4063 17661.1785 0.0000 0.0000 34427.9735 -149020.7034 300.6681 -183448.6769 -148916.4188 299.6024 1.8806 32.9635 557470.4785 -3.9894 -4.0932 PRESSURE: 2813800 -257.706 202.449 -98.2813 202.448 -225.97 -40.9117 -98.2797 -40.9129 -34.5845 GPRESSURE: 2813800 -205.18 169.676 -52.993 179.068 -199.463 5.73961 -87.5183 -12.2202 -28.2546 PRESSAVG: 2813800 61.1743 -2.13319 -9.49396 -2.13317 -23.9009 13.5892 -9.49404 13.5893 -60.3116 GPRESSAVG: 2813800 61.8822 -0.0604967 -9.66073 -4.09715 -24.4192 14.5752 -9.87647 11.9373 -60.4688 TIMING: 2813800 CPU: 8154.57, 0.00289025/step Wall: 8154.57, 0.00289025/step, 1.75518 hours remaining, 209.660156 MB of memory in use. ENERGY: 2813800 729.1837 2047.6526 1953.3658 111.3327 -205418.7465 17515.9107 0.0000 0.0000 34141.7203 -148919.5806 298.1681 -183061.3008 -148821.4357 300.0133 -172.7537 -144.2990 559280.1813 -7.6794 -7.6686 PRESSURE: 2814000 -67.1519 -99.6405 -32.1407 -99.6407 -87.223 160.785 -32.1401 160.786 -158.685 GPRESSURE: 2814000 -16.0545 -95.9472 27.2458 -87.1089 -54.5635 140.015 15.9386 161.891 -144.872 PRESSAVG: 2814000 54.2974 11.4336 27.9052 11.4336 -72.0552 -46.7571 27.9053 -46.7571 43.6552 GPRESSAVG: 2814000 54.8695 11.1314 27.9831 11.9162 -71.6608 -49.1519 28.4171 -45.7271 42.9626 TIMING: 2814000 CPU: 8155.15, 0.00289116/step Wall: 8155.15, 0.00289116/step, 1.75558 hours remaining, 209.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2814000 752.7193 2072.3301 1961.8186 113.0387 -205926.9905 17691.8568 0.0000 0.0000 34257.6950 -149077.5321 299.1810 -183335.2270 -148985.5781 300.2553 -104.3534 -71.8299 559411.8463 8.6325 8.7238 PRESSURE: 2814200 50.3783 147.91 138.206 147.912 -5.82349 114.05 138.205 114.051 -18.0017 GPRESSURE: 2814200 38.9758 135.58 59.8233 234.149 46.9257 115.129 248.001 179.376 29.7567 PRESSAVG: 2814200 -33.0657 21.4382 7.94526 21.4381 -31.4156 20.0159 7.94527 20.0159 32.3905 GPRESSAVG: 2814200 -33.5983 16.9032 7.64586 24.1061 -31.5511 22.2242 7.21874 19.1621 32.9727 TIMING: 2814200 CPU: 8155.73, 0.00290801/step Wall: 8155.73, 0.00290801/step, 1.76565 hours remaining, 209.660156 MB of memory in use. ENERGY: 2814200 762.3172 2093.0675 1940.3691 127.7789 -206167.3006 17823.2729 0.0000 0.0000 34300.4474 -149120.0476 299.5543 -183420.4950 -149031.6317 299.5455 8.8511 38.5527 557298.3043 -10.6969 -10.7256 PRESSURE: 2814400 -203.92 1.82471 143.811 1.82481 -50.8582 -23.9676 143.811 -23.9684 128.712 GPRESSURE: 2814400 -181.464 13.3726 162.868 -141.066 -28.869 1.28434 128.819 -36.2033 191.117 PRESSAVG: 2814400 58.3716 -15.8018 41.5064 -15.8019 -33.8061 88.7973 41.5064 88.7973 -30.5678 GPRESSAVG: 2814400 58.1293 -11.8126 43.5117 -18.693 -34.2673 86.4633 40.96 90.3718 -30.0095 TIMING: 2814400 CPU: 8156.31, 0.00290867/step Wall: 8156.31, 0.00290867/step, 1.76589 hours remaining, 209.859375 MB of memory in use. ENERGY: 2814400 774.2949 2097.0319 1926.9516 110.5011 -206073.6282 17956.0496 0.0000 0.0000 33981.7480 -149227.0511 296.7711 -183208.7992 -149136.6286 299.1948 -42.0223 -6.4053 559700.7349 -2.0007 -2.0492 PRESSURE: 2814600 -123.385 -186.637 -33.3684 -186.636 22.5981 -54.3274 -33.3685 -54.3296 -40.3405 GPRESSURE: 2814600 -72.6818 -193.061 51.1788 -119.949 16.4592 4.69767 -138.603 -20.7795 -1.84242 PRESSAVG: 2814600 1.74361 -58.5578 41.6019 -58.5579 25.7683 42.9014 41.6019 42.9014 17.0085 GPRESSAVG: 2814600 1.62622 -57.2447 41.6336 -57.3871 27.0152 44.7276 41.1486 41.194 16.045 TIMING: 2814600 CPU: 8156.89, 0.00290673/step Wall: 8156.89, 0.00290673/step, 1.76455 hours remaining, 209.859375 MB of memory in use. ENERGY: 2814600 757.8207 2099.7110 1954.9211 109.8507 -206450.4396 17961.3250 0.0000 0.0000 34309.4714 -149257.3396 299.6331 -183566.8110 -149168.3661 299.3257 -47.0424 -19.3550 558882.1424 14.8401 14.8955 PRESSURE: 2814800 -4.14909 -102.734 22.908 -102.735 -20.0038 156.759 22.9078 156.758 -227.065 GPRESSURE: 2814800 0.68863 -108.853 -69.6947 -125.958 51.7142 89.9748 84.6679 162.747 -200.166 PRESSAVG: 2814800 -26.7266 -34.1502 34.4402 -34.1503 42.3804 46.3133 34.4402 46.3132 -13.7289 GPRESSAVG: 2814800 -26.1702 -36.436 33.9618 -33.2039 42.4844 46.2217 35.7613 45.9708 -14.206 TIMING: 2814800 CPU: 8157.47, 0.00290303/step Wall: 8157.47, 0.00290303/step, 1.76214 hours remaining, 209.859375 MB of memory in use. ENERGY: 2814800 741.6079 2089.2219 1949.4585 122.4719 -205774.0922 17608.9897 0.0000 0.0000 34181.1375 -149081.2049 298.5124 -183262.3424 -148986.0304 299.6149 -83.7394 -49.2545 559529.5243 0.6417 0.7027 PRESSURE: 2815000 104.05 -84.3944 -9.59056 -84.3946 61.3991 12.3452 -9.58964 12.3441 -195.411 GPRESSURE: 2815000 123.921 -88.3226 -27.686 -121.491 45.2967 61.7092 5.90103 -43.3617 -106.31 PRESSAVG: 2815000 61.8397 -25.5356 21.4409 -25.5356 2.41127 46.5146 21.441 46.5145 -32.807 GPRESSAVG: 2815000 62.1573 -22.4213 21.2215 -28.6327 1.1427 48.4886 22.7392 45.8837 -31.6953 TIMING: 2815000 CPU: 8158.05, 0.00286925/step Wall: 8158.05, 0.00286925/step, 1.74148 hours remaining, 209.859375 MB of memory in use. ENERGY: 2815000 745.0877 2091.8735 1935.9527 100.1879 -206347.7977 17802.2153 0.0000 0.0000 34535.7874 -149136.6933 301.6096 -183672.4807 -149029.8961 300.1513 -9.9876 20.9691 558698.5951 10.4814 10.5349 PRESSURE: 2815200 -39.5806 16.6359 -90.1793 16.635 -362.365 21.7902 -90.1793 21.7899 -256.842 GPRESSURE: 2815200 18.1228 8.25385 -130.907 16.2007 -367.708 -14.0592 -20.0016 50.455 -209.706 PRESSAVG: 2815200 28.745 -22.152 -18.3807 -22.1521 51.1149 4.45744 -18.3807 4.45747 -74.2786 GPRESSAVG: 2815200 29.2848 -25.5842 -17.3954 -20.6837 52.0128 4.53219 -21.7704 4.60643 -75.4582 TIMING: 2815200 CPU: 8158.62, 0.00288372/step Wall: 8158.62, 0.00288372/step, 1.7501 hours remaining, 209.859375 MB of memory in use. ENERGY: 2815200 770.5315 2122.7235 1928.6555 104.7986 -205550.7611 17423.8911 0.0000 0.0000 34231.8769 -148968.2840 298.9555 -183200.1608 -148873.2244 300.0014 -219.5959 -186.4304 560588.0416 1.8604 1.9465 PRESSURE: 2815400 -91.5449 -16.6166 -41.38 -16.6172 13.4962 13.4255 -41.3796 13.4249 176.47 GPRESSURE: 2815400 -53.8519 18.6205 -93.6867 2.47622 83.4047 25.076 -39.9243 -26.4881 155.379 PRESSAVG: 2815400 58.2489 -14.5932 -41.5841 -14.5932 -9.74494 29.7004 -41.5841 29.7005 -42.8253 GPRESSAVG: 2815400 57.6361 -14.2073 -43.4545 -14.257 -9.52946 27.9617 -40.1482 29.1982 -42.8109 TIMING: 2815400 CPU: 8159.2, 0.0028939/step Wall: 8159.2, 0.0028939/step, 1.75611 hours remaining, 209.859375 MB of memory in use. ENERGY: 2815400 746.8653 2083.9154 1966.4949 114.0437 -206108.2112 17882.5114 0.0000 0.0000 34421.0597 -148893.3208 300.6077 -183314.3805 -148798.5166 300.3335 32.8070 61.6437 559146.6219 1.8929 1.7652 PRESSURE: 2815600 84.9535 -36.1607 51.8874 -36.1609 134.592 -63.384 51.886 -63.3868 76.6543 GPRESSURE: 2815600 65.1201 -83.262 86.7368 -62.6462 150.006 -98.1793 67.5132 -87.0448 179.519 PRESSAVG: 2815600 -89.2398 -22.5204 -48.4036 -22.5203 21.7893 10.2557 -48.4037 10.2556 54.9677 GPRESSAVG: 2815600 -89.7059 -20.5839 -48.686 -25.3228 21.4448 9.95407 -48.8 11.1451 55.1832 TIMING: 2815600 CPU: 8159.78, 0.0028878/step Wall: 8159.78, 0.0028878/step, 1.75225 hours remaining, 209.859375 MB of memory in use. ENERGY: 2815600 766.0077 2122.6190 1969.1431 121.9144 -206457.8564 17897.0990 0.0000 0.0000 34603.4334 -148977.6397 302.2004 -183581.0731 -148885.2910 300.3536 98.7331 131.5484 557583.0926 -4.1609 -4.3593 PRESSURE: 2815800 -13.9296 176.359 55.2938 176.36 -290.889 -4.70411 55.2945 -4.70366 -106.399 GPRESSURE: 2815800 7.73757 131.7 66.2413 223.352 -213.47 -4.83268 73.7913 -0.154625 -112.836 PRESSAVG: 2815800 21.2367 36.0588 11.3124 36.0588 16.7974 -51.0699 11.3123 -51.0698 -40.9567 GPRESSAVG: 2815800 22.5247 33.2346 11.3454 38.4777 14.6487 -49.8794 12.374 -52.593 -40.2486 TIMING: 2815800 CPU: 8160.36, 0.00290023/step Wall: 8160.36, 0.00290023/step, 1.75963 hours remaining, 209.859375 MB of memory in use. ENERGY: 2815800 763.9999 2089.6785 1976.6213 118.0998 -205859.3249 17615.0693 0.0000 0.0000 34309.0343 -148986.8217 299.6293 -183295.8560 -148890.6704 300.0678 -137.0723 -106.1892 557505.7440 -0.9742 -1.0251 PRESSURE: 2816000 -186.722 44.3183 46.5204 44.3173 -200.891 17.4929 46.5205 17.4929 -61.3493 GPRESSURE: 2816000 -135.318 59.7384 80.0368 43.1036 -235.144 -66.2806 18.393 -68.1098 21.6002 PRESSAVG: 2816000 29.7488 -11.6393 20.5799 -11.6393 -0.3626 -82.5017 20.5799 -82.5019 24.3563 GPRESSAVG: 2816000 29.8226 -10.275 23.1583 -11.8056 0.607383 -84.604 19.5961 -80.1859 23.4754 TIMING: 2816000 CPU: 8160.94, 0.00288051/step Wall: 8160.94, 0.00288051/step, 1.74751 hours remaining, 209.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2816000 717.0422 2107.3551 1968.9749 102.2008 -205734.2251 17487.9768 0.0000 0.0000 34318.4525 -149032.2228 299.7116 -183350.6753 -148930.6378 299.6297 -149.6542 -116.2873 557457.4238 17.9142 17.9685 PRESSURE: 2816200 156.25 -21.3247 -51.6791 -21.3234 -123.129 -67.1743 -51.6801 -67.174 168.854 GPRESSURE: 2816200 190.995 -106.239 -23.5377 34.4148 -41.9618 -70.1668 -137.685 -67.5903 148.652 PRESSAVG: 2816200 -38.553 -12.152 -39.36 -12.1519 7.5959 0.487007 -39.3599 0.486978 21.7524 GPRESSAVG: 2816200 -39.1116 -11.7515 -40.7024 -12.6508 9.04984 0.83564 -39.5028 0.613535 21.3993 TIMING: 2816200 CPU: 8161.51, 0.00287489/step Wall: 8161.51, 0.00287489/step, 1.74394 hours remaining, 209.859375 MB of memory in use. ENERGY: 2816200 741.9451 2103.9615 1976.0300 116.9535 -206340.4916 17975.2186 0.0000 0.0000 34297.6505 -149128.7324 299.5299 -183426.3829 -149030.9950 300.0316 67.3250 99.2284 557861.1719 -3.0682 -2.8875 LDB: ============= START OF LOAD BALANCING ============== 8164.89 LDB: ============== END OF LOAD BALANCING =============== 8164.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8164.9 LDB: ============= START OF LOAD BALANCING ============== 8165.18 LDB: Largest compute 4820 load 0.023470 is 19.9% of average load 0.117970 LDB: Average compute 0.001743 is 1.5% of average load 0.117970 LDB: TIME 8165.19 LOAD: AVG 0.11797 MAX 0.178908 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.262 MB LDB: TIME 8165.19 LOAD: AVG 0.11797 MAX 0.178908 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.504 MB LDB: TIME 8165.19 LOAD: AVG 0.11797 MAX 0.178908 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8165.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8165.19 PRESSURE: 2816400 26.6008 85.1263 90.135 85.126 -151.029 -7.97193 90.1343 -7.97244 -54.0369 GPRESSURE: 2816400 53.1453 91.1275 157.785 143.763 -89.9844 25.13 -10.3982 -54.6896 -43.6332 PRESSAVG: 2816400 2.45844 -4.5388 57.3163 -4.5388 -38.0398 -23.3669 57.3163 -23.3669 14.8876 GPRESSAVG: 2816400 2.36136 -4.89707 58.306 -5.30273 -38.1315 -24.0629 57.1701 -23.4145 14.7218 TIMING: 2816400 CPU: 8162.1, 0.00293077/step Wall: 8162.1, 0.00293077/step, 1.77767 hours remaining, 209.257812 MB of memory in use. ENERGY: 2816400 723.5932 2102.8494 1964.0426 104.8238 -205978.1773 17711.4112 0.0000 0.0000 34338.6292 -149032.8280 299.8878 -183371.4572 -148937.9057 299.8731 -59.4883 -26.8241 558042.7337 -6.8979 -7.0161 PRESSURE: 2816600 243.783 97.3532 19.6158 97.3548 136.252 -56.5973 19.6172 -56.5973 10.9071 GPRESSURE: 2816600 244.112 -65.4797 -15.4859 231.157 200.778 -88.4049 -28.1145 -105.239 29.4276 PRESSAVG: 2816600 -22.4525 -31.2414 9.89213 -31.2414 30.8326 -37.4066 9.89209 -37.4066 -47.2931 GPRESSAVG: 2816600 -24.3572 -30.6452 7.88793 -29.6066 30.9257 -34.991 10.6202 -38.3971 -46.1413 TIMING: 2816600 CPU: 8162.67, 0.00288031/step Wall: 8162.67, 0.00288031/step, 1.74691 hours remaining, 209.460938 MB of memory in use. ENERGY: 2816600 740.0265 2129.2137 1923.8868 110.4231 -206259.2702 17976.3663 0.0000 0.0000 34220.4437 -149158.9101 298.8556 -183379.3538 -149066.0379 299.1387 130.3139 158.1060 557056.9454 -12.9710 -13.1909 PRESSURE: 2816800 3.10451 -162.615 -287.201 -162.615 -68.2786 -7.64562 -287.201 -7.64459 -218.69 GPRESSURE: 2816800 18.9172 -205.7 -275.074 -225.752 -25.0552 48.1351 -221.086 18.6333 -177.222 PRESSAVG: 2816800 9.71711 -7.08288 3.33555 -7.08298 5.07921 2.32411 3.3356 2.32417 19.3965 GPRESSAVG: 2816800 11.7856 -8.03804 2.46973 -6.13392 4.98001 -0.477034 2.65064 2.84696 17.4158 TIMING: 2816800 CPU: 8163.25, 0.00288937/step Wall: 8163.25, 0.00288938/step, 1.75225 hours remaining, 209.460938 MB of memory in use. ENERGY: 2816800 760.5453 2081.6401 1940.8177 109.0566 -205975.0246 17771.2525 0.0000 0.0000 34276.6045 -149035.1079 299.3461 -183311.7124 -148952.2954 299.4861 -94.6212 -61.1201 558174.9781 11.3976 11.3938 PRESSURE: 2817000 41.6637 65.9798 187.744 65.9793 165.416 112.725 187.745 112.723 -1.53819 GPRESSURE: 2817000 83.6285 44.7806 168.596 111.256 161.28 173.506 183.707 52.7319 65.4581 PRESSAVG: 2817000 2.56208 8.41259 -8.50309 8.41266 -15.258 18.12 -8.50308 18.1201 -5.46005 GPRESSAVG: 2817000 3.11226 8.65053 -6.26459 7.87434 -16.8613 20.5705 -6.15055 16.4448 -4.91797 TIMING: 2817000 CPU: 8163.83, 0.00289188/step Wall: 8163.83, 0.00289188/step, 1.7536 hours remaining, 209.460938 MB of memory in use. ENERGY: 2817000 752.3833 2134.3642 1924.9199 102.2232 -206058.2945 17871.0565 0.0000 0.0000 34171.2511 -149102.0964 298.4260 -183273.3475 -149008.1776 299.7787 68.5139 103.4556 556758.1934 -6.0520 -6.2223 PRESSURE: 2817200 59.2444 -93.0595 166.393 -93.0583 163.057 47.3203 166.394 47.3192 -47.3988 GPRESSURE: 2817200 105.696 -112.529 113.453 -80.5247 171.904 87.8918 203.889 -20.594 -0.0145121 PRESSAVG: 2817200 5.40597 27.9481 29.3328 27.9481 47.7352 5.92613 29.3329 5.9261 -24.1425 GPRESSAVG: 2817200 4.74191 28.2769 27.8167 27.0097 48.4225 4.12247 29.3239 8.5326 -23.9053 TIMING: 2817200 CPU: 8164.41, 0.00290309/step Wall: 8164.41, 0.00290309/step, 1.76024 hours remaining, 209.460938 MB of memory in use. ENERGY: 2817200 752.7134 2060.8468 1932.7443 103.8237 -206241.6596 17810.8201 0.0000 0.0000 34346.5558 -149234.1555 299.9570 -183580.7113 -149138.5805 299.8353 58.3008 92.5288 556298.8852 9.6662 9.7530 PRESSURE: 2817400 -38.4005 -19.0353 224.794 -19.0354 -171.937 176.669 224.792 176.668 -97.034 GPRESSURE: 2817400 -53.5571 49.8388 235.812 1.09339 -110.4 111.536 222.246 206.716 -47.9906 PRESSAVG: 2817400 -45.8289 3.21844 10.3909 3.2185 84.4889 16.9477 10.3909 16.9477 4.26517 GPRESSAVG: 2817400 -46.3404 2.89246 12.0268 2.47681 84.3214 15.6368 7.50037 15.989 5.2568 TIMING: 2817400 CPU: 8164.99, 0.00287992/step Wall: 8164.99, 0.00287992/step, 1.74603 hours remaining, 209.460938 MB of memory in use. ENERGY: 2817400 765.7849 2125.3902 1932.9367 114.6010 -206321.1666 17622.0541 0.0000 0.0000 34365.2682 -149395.1315 300.1204 -183760.3997 -149301.9202 299.1727 -102.4571 -70.6492 556654.4026 14.3084 14.4126 PRESSURE: 2817600 345.692 -138.531 105.332 -138.53 -60.3053 -69.2293 105.331 -69.2285 31.9208 GPRESSURE: 2817600 337.11 -162.796 124.292 -142.808 4.88531 -51.7309 61.1054 -42.7885 70.3182 PRESSAVG: 2817600 1.87495 11.6665 68.7872 11.6665 2.93709 3.21435 68.7873 3.21444 10.4905 GPRESSAVG: 2817600 2.58842 13.6777 64.6589 11.4314 3.82035 6.06569 71.389 3.52033 9.32716 TIMING: 2817600 CPU: 8165.57, 0.00290472/step Wall: 8165.57, 0.00290472/step, 1.7609 hours remaining, 209.460938 MB of memory in use. ENERGY: 2817600 742.2028 2136.5088 1962.4815 113.2503 -206404.8387 17858.8798 0.0000 0.0000 34157.5348 -149433.9807 298.3062 -183591.5155 -149342.0567 298.8120 105.7690 137.4378 557066.9368 5.1009 5.2453 PRESSURE: 2817800 -109.818 81.829 64.4578 81.8278 -65.8376 8.60285 64.4585 8.60392 51.1413 GPRESSURE: 2817800 -46.6272 162.913 12.7228 0.802404 -55.3037 71.2811 -18.9097 21.6227 72.3391 PRESSAVG: 2817800 31.1555 -20.3246 -14.3256 -20.3246 57.0336 -55.5217 -14.3256 -55.5216 -26.8599 GPRESSAVG: 2817800 31.4449 -18.8187 -12.9712 -21.8055 56.7055 -56.566 -15.6509 -53.9529 -27.3588 TIMING: 2817800 CPU: 8166.14, 0.00287597/step Wall: 8166.14, 0.00287597/step, 1.74332 hours remaining, 209.460938 MB of memory in use. ENERGY: 2817800 753.7781 2125.7010 1923.5341 107.5622 -206397.7737 17904.5398 0.0000 0.0000 34189.2823 -149393.3761 298.5835 -183582.6584 -149294.5729 298.3916 -41.5049 -9.8639 557989.0928 20.4431 20.2639 PRESSURE: 2818000 -153.309 -107.473 -36.2502 -107.474 -221.999 14.866 -36.2503 14.8671 -114.631 GPRESSURE: 2818000 -108.259 -100.629 -105.362 -124.948 -239.782 67.2692 3.14259 45.1756 -45.7441 PRESSAVG: 2818000 40.0727 37.2343 -20.4018 37.2342 -8.68904 -54.2661 -20.4018 -54.2661 -3.67062 GPRESSAVG: 2818000 39.877 33.6571 -20.6606 37.5801 -9.59303 -55.2601 -17.6861 -54.7385 -2.90079 TIMING: 2818000 CPU: 8166.71, 0.00286893/step Wall: 8166.71, 0.00286893/step, 1.73889 hours remaining, 209.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2818000 744.0040 2073.3332 1937.6490 125.4063 -206042.1345 17542.0617 0.0000 0.0000 34271.6637 -149348.0166 299.3030 -183619.6804 -149249.0394 298.4796 -163.3130 -131.2616 557521.1424 9.2377 9.1277 PRESSURE: 2818200 29.535 131.429 -111.365 131.428 33.5899 73.0654 -111.365 73.067 205.633 GPRESSURE: 2818200 77.4996 132.472 -109.648 194.633 28.519 97.7053 -72.0268 -26.0272 249.625 PRESSAVG: 2818200 -16.3096 19.4495 -31.8172 19.4494 81.5357 -33.3478 -31.8172 -33.348 -47.4875 GPRESSAVG: 2818200 -16.1748 21.4104 -30.6391 21.0641 81.4626 -32.7544 -32.6616 -34.1707 -47.7684 TIMING: 2818200 CPU: 8167.29, 0.00287964/step Wall: 8167.29, 0.00287964/step, 1.74522 hours remaining, 209.460938 MB of memory in use. ENERGY: 2818200 725.2568 2098.8536 1947.2853 111.1643 -206434.3806 17899.3847 0.0000 0.0000 34240.5394 -149411.8965 299.0311 -183652.4359 -149317.2242 298.1261 89.5861 118.5479 556615.1210 5.9129 5.8398 PRESSURE: 2818400 -150.412 76.1593 -153.93 76.1592 -82.1527 15.0225 -153.929 15.0218 -125.477 GPRESSURE: 2818400 -113.572 -9.42948 -92.2455 20.4181 -91.4636 63.6349 -103.227 -68.666 -72.4418 PRESSAVG: 2818400 17.8191 -3.23434 -49.8709 -3.23433 2.41608 -46.6684 -49.8709 -46.6683 -17.1127 GPRESSAVG: 2818400 17.8079 -1.2319 -50.7738 -3.284 1.54495 -44.4382 -49.4906 -47.7895 -17.0786 TIMING: 2818400 CPU: 8167.87, 0.00290761/step Wall: 8167.87, 0.00290761/step, 1.76201 hours remaining, 209.460938 MB of memory in use. ENERGY: 2818400 710.6862 2065.3785 1971.2362 97.4011 -206171.6580 17775.1610 0.0000 0.0000 34160.3381 -149391.4569 298.3307 -183551.7950 -149297.8507 298.5878 -119.3472 -92.4924 558453.0029 1.0408 0.7581 PRESSURE: 2818600 175.036 71.8664 -156.373 71.8665 27.2967 -16.9463 -156.372 -16.9472 180.073 GPRESSURE: 2818600 214.113 71.3219 -176.029 136.771 74.3029 11.9954 -179.122 -19.2719 206.48 PRESSAVG: 2818600 -59.0114 58.6191 -13.083 58.6191 123.238 1.71333 -13.083 1.71332 -15.2984 GPRESSAVG: 2818600 -58.9542 55.1256 -10.7545 59.803 124.594 -0.320405 -15.768 3.27532 -16.4753 TIMING: 2818600 CPU: 8168.45, 0.0028859/step Wall: 8168.45, 0.0028859/step, 1.74869 hours remaining, 209.460938 MB of memory in use. ENERGY: 2818600 773.3528 2058.9898 1937.7758 113.2289 -206813.2743 18219.3589 0.0000 0.0000 34312.1683 -149398.3997 299.6567 -183710.5680 -149300.7437 298.5468 127.4683 164.9652 556806.0217 16.3095 16.3881 PRESSURE: 2818800 -151.603 -41.0104 -16.1798 -41.0096 39.1225 0.168817 -16.1802 0.169024 -30.1081 GPRESSURE: 2818800 -59.1867 -100.169 4.38167 -21.2133 46.7138 6.82161 -2.46448 17.736 -23.416 PRESSAVG: 2818800 -48.3437 44.522 -18.4127 44.5219 109.708 1.68553 -18.4127 1.68557 -57.767 GPRESSAVG: 2818800 -48.9466 45.7009 -18.5023 41.8586 109.897 1.75602 -16.3309 0.937818 -57.4629 TIMING: 2818800 CPU: 8169.03, 0.00289531/step Wall: 8169.03, 0.00289531/step, 1.75423 hours remaining, 209.460938 MB of memory in use. ENERGY: 2818800 742.1858 2060.0794 1973.0347 114.2490 -206315.4823 17850.9950 0.0000 0.0000 34290.6002 -149284.3382 299.4683 -183574.9384 -149181.7482 299.1200 -47.5296 -11.9630 558699.0966 1.1990 1.1626 PRESSURE: 2819000 117.774 -66.4632 -115.417 -66.4644 124.305 -166.6 -115.418 -166.6 61.5743 GPRESSURE: 2819000 219.848 -80.5371 -111.422 -89.4559 114.829 -218.092 -85.2045 -194.228 61.9935 PRESSAVG: 2819000 -6.77279 -31.8639 6.02088 -31.8639 36.2504 -38.2913 6.02084 -38.2913 -22.8178 GPRESSAVG: 2819000 -6.31256 -32.2507 7.24138 -31.7191 35.8645 -36.8265 3.40608 -38.8717 -22.9428 TIMING: 2819000 CPU: 8169.61, 0.00289664/step Wall: 8169.61, 0.00289664/step, 1.75488 hours remaining, 209.460938 MB of memory in use. ENERGY: 2819000 732.4878 2092.7463 1941.6670 111.9890 -206699.7203 18117.7985 0.0000 0.0000 34205.4087 -149497.6230 298.7243 -183703.0317 -149395.8744 298.6390 101.2175 132.2234 557517.0763 2.2199 2.2030 PRESSURE: 2819200 -255.969 13.6567 -97.0643 13.655 -233.316 -83.6955 -97.0625 -83.6971 -152.976 GPRESSURE: 2819200 -200.853 -34.1773 19.1455 97.6903 -207.077 -45.5238 -87.5013 -46.8138 -136.219 PRESSAVG: 2819200 22.0083 16.3486 36.5754 16.3486 -10.6073 -10.5339 36.5755 -10.5339 42.1781 GPRESSAVG: 2819200 21.124 15.73 35.4755 17.2076 -10.3135 -11.6202 36.7954 -11.2828 42.6937 TIMING: 2819200 CPU: 8170.19, 0.00288667/step Wall: 8170.19, 0.00288667/step, 1.74868 hours remaining, 209.460938 MB of memory in use. ENERGY: 2819200 808.6082 2064.2625 1935.4300 115.4032 -206374.6531 17863.2960 0.0000 0.0000 33892.5284 -149695.1249 295.9919 -183587.6533 -149609.4601 298.2710 -214.0867 -181.3830 558858.2699 17.8597 17.8347 PRESSURE: 2819400 -29.1406 -33.1524 68.0003 -33.152 101.546 -141.36 68.0002 -141.36 -153.886 GPRESSURE: 2819400 -10.0699 22.5137 -11.0824 -19.2708 144.392 -154.884 149.626 -49.1466 -123.675 PRESSAVG: 2819400 -15.6004 -18.248 7.71598 -18.2481 -5.32578 -26.8403 7.71599 -26.8403 -3.50934 GPRESSAVG: 2819400 -16.4097 -17.5391 5.55462 -17.078 -4.69548 -27.9588 12.7436 -25.5427 -3.59204 TIMING: 2819400 CPU: 8170.76, 0.00288346/step Wall: 8170.76, 0.00288346/step, 1.74657 hours remaining, 209.460938 MB of memory in use. ENERGY: 2819400 730.3490 2046.5919 1974.9120 108.5214 -206530.7468 17885.7401 0.0000 0.0000 34174.4484 -149610.1840 298.4540 -183784.6324 -149507.9547 297.8293 -27.1600 3.5491 558777.0971 -8.1452 -8.2324 PRESSURE: 2819600 123.695 -16.3839 104.102 -16.3832 267.238 41.7481 104.1 41.75 231.711 GPRESSURE: 2819600 148.324 65.9257 69.8844 -34.0374 319.644 27.8017 94.7112 27.4639 265.17 PRESSAVG: 2819600 -79.4684 44.8763 38.6636 44.8763 111.676 -18.2363 38.6637 -18.2363 -26.5386 GPRESSAVG: 2819600 -79.0399 43.4811 39.1059 43.5952 110.491 -18.4627 35.0112 -17.5328 -26.4022 TIMING: 2819600 CPU: 8171.34, 0.00289365/step Wall: 8171.34, 0.00289365/step, 1.75259 hours remaining, 209.460938 MB of memory in use. ENERGY: 2819600 722.8565 2029.2433 1952.8298 116.4186 -207092.8826 18431.2754 0.0000 0.0000 34132.0304 -149708.2285 298.0835 -183840.2589 -149610.5088 297.5165 207.5481 244.3791 557940.8482 1.8897 1.6830 PRESSURE: 2819800 -160.322 89.2902 100.007 89.29 -276.665 -82.8371 100.006 -82.8388 -336.599 GPRESSURE: 2819800 -123.592 28.7107 39.1297 100.293 -208.219 -89.2653 134.697 -41.1123 -356.319 PRESSAVG: 2819800 -62.9268 10.6009 -14.5844 10.601 67.0763 -4.86639 -14.5844 -4.86648 31.0447 GPRESSAVG: 2819800 -62.5068 12.4225 -15.558 10.3461 66.765 -4.44252 -13.0062 -5.84617 30.9897 TIMING: 2819800 CPU: 8171.92, 0.00289428/step Wall: 8171.92, 0.00289428/step, 1.75281 hours remaining, 209.710938 MB of memory in use. ENERGY: 2819800 731.3707 2095.7608 1937.7389 122.0080 -205929.2728 17506.8747 0.0000 0.0000 33818.4014 -149717.1184 295.3445 -183535.5198 -149621.9243 297.3749 -257.8623 -229.3767 558555.4856 11.7314 11.7493 PRESSURE: 2820000 -292.956 67.7319 123.457 67.7303 12.1997 -83.3474 123.458 -83.349 -94.461 GPRESSURE: 2820000 -266.582 -18.1237 79.7068 21.8637 34.6615 -141.84 124.44 -58.9592 -54.9711 PRESSAVG: 2820000 -106.12 27.3392 72.4111 27.3392 71.9487 33.2139 72.411 33.214 39.3441 GPRESSAVG: 2820000 -105.606 26.6634 72.2063 28.8391 71.902 32.3828 73.0528 35.017 38.7236 TIMING: 2820000 CPU: 8172.49, 0.00287086/step Wall: 8172.49, 0.00287086/step, 1.73847 hours remaining, 209.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2820000 736.3811 2081.9710 1973.9368 105.1907 -206618.8190 17777.3809 0.0000 0.0000 34249.9301 -149694.0284 299.1132 -183943.9585 -149591.2338 297.6730 -125.0725 -95.6307 558885.1975 1.7242 1.6733 PRESSURE: 2820200 -50.7636 -13.5521 83.9058 -13.5528 -42.3393 270.887 83.9063 270.887 -172.577 GPRESSURE: 2820200 -23.3191 -80.8254 163.532 28.938 -50.7815 302.14 72.2734 209.026 -86.2972 PRESSAVG: 2820200 -41.6317 3.88083 10.6444 3.8809 31.8432 7.68473 10.6445 7.68466 25.4874 GPRESSAVG: 2820200 -43.6217 2.79781 11.7659 4.5977 33.3883 6.50951 10.9129 6.25345 25.3046 TIMING: 2820200 CPU: 8173.07, 0.00287943/step Wall: 8173.07, 0.00287943/step, 1.7435 hours remaining, 209.710938 MB of memory in use. ENERGY: 2820200 758.4199 2058.6914 1970.7518 114.1213 -206503.0715 17859.6855 0.0000 0.0000 34145.8441 -149595.5575 298.2041 -183741.4016 -149508.4869 297.7689 -88.5600 -53.4659 557598.0067 5.2330 5.0238 LDB: ============= START OF LOAD BALANCING ============== 8176.45 LDB: ============== END OF LOAD BALANCING =============== 8176.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8176.46 LDB: ============= START OF LOAD BALANCING ============== 8176.74 LDB: Largest compute 4820 load 0.022938 is 19.4% of average load 0.117999 LDB: Average compute 0.001742 is 1.5% of average load 0.117999 LDB: TIME 8176.75 LOAD: AVG 0.117999 MAX 0.178275 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.004 MB LDB: TIME 8176.75 LOAD: AVG 0.117999 MAX 0.178275 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.004 MB LDB: TIME 8176.75 LOAD: AVG 0.117999 MAX 0.178275 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.004 MB LDB: ============== END OF LOAD BALANCING =============== 8176.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8176.75 PRESSURE: 2820400 -128.736 -152.627 32.4104 -152.627 -329.436 38.1012 32.41 38.1009 55.0327 GPRESSURE: 2820400 -84.9993 -150.503 -33.8898 -156.37 -267.638 -2.92244 64.3184 91.5437 54.5007 PRESSAVG: 2820400 -36.2734 8.57678 56.3029 8.5768 96.6298 41.0315 56.303 41.0316 -43.0612 GPRESSAVG: 2820400 -33.3156 10.3666 56.6046 6.59836 94.9034 42.878 53.2619 42.1047 -44.5613 TIMING: 2820400 CPU: 8173.66, 0.00294065/step Wall: 8173.66, 0.00294065/step, 1.7804 hours remaining, 208.746094 MB of memory in use. ENERGY: 2820400 704.4696 2127.4177 1961.4268 115.4454 -206251.8945 17660.0264 0.0000 0.0000 34058.5004 -149624.6082 297.4414 -183683.1086 -149530.6291 298.4151 -134.3797 -99.3789 557489.2074 5.7651 5.6755 PRESSURE: 2820600 -173.873 -37.6102 204.825 -37.6107 -73.2941 105.136 204.824 105.135 109.825 GPRESSURE: 2820600 -182.131 -13.6344 180.232 -136.97 -15.7462 165.605 193.945 117.586 151.93 PRESSAVG: 2820600 -111.419 6.66347 22.0037 6.6634 78.968 41.9303 22.0036 41.9302 9.07763 GPRESSAVG: 2820600 -113.053 7.18124 20.2841 5.41797 79.6858 41.1614 22.5785 42.0305 10.1643 TIMING: 2820600 CPU: 8174.23, 0.00287234/step Wall: 8174.23, 0.00287234/step, 1.73888 hours remaining, 208.746094 MB of memory in use. ENERGY: 2820600 756.5721 2109.6279 1961.0780 115.8392 -206733.2489 18025.9027 0.0000 0.0000 34166.3111 -149597.9178 298.3829 -183764.2289 -149505.2272 297.5942 -45.7806 -15.3156 558143.0194 -7.7912 -7.7343 PRESSURE: 2820800 90.3834 -290.523 99.9171 -290.522 139.822 74.8874 99.918 74.8867 156.797 GPRESSURE: 2820800 133.29 -300.359 96.3474 -264.519 143.361 -23.8191 102.413 49.5569 221.046 PRESSAVG: 2820800 -9.37101 -12.2565 3.03795 -12.2565 56.9834 10.9485 3.03797 10.9487 -6.2258 GPRESSAVG: 2820800 -9.50172 -12.007 3.29836 -9.73668 55.392 11.4122 2.88128 10.4046 -4.36612 TIMING: 2820800 CPU: 8174.81, 0.00287336/step Wall: 8174.81, 0.00287336/step, 1.73934 hours remaining, 208.746094 MB of memory in use. ENERGY: 2820800 693.1585 2061.1961 1970.6926 114.1161 -206560.9014 17958.8326 0.0000 0.0000 34259.3866 -149503.5190 299.1957 -183762.9056 -149408.3102 299.0663 129.0009 165.8992 557402.2327 13.7955 13.8414 PRESSURE: 2821000 269.454 -104.029 124.629 -104.03 91.9506 19.8483 124.63 19.8492 67.8569 GPRESSURE: 2821000 322.079 -156.265 91.6884 -100.462 79.6008 32.1062 180.559 19.7892 125.763 PRESSAVG: 2821000 -18.175 -21.2866 9.40381 -21.2866 -34.8817 -5.38892 9.40382 -5.38896 13.5302 GPRESSAVG: 2821000 -18.1317 -22.8176 9.82174 -22.492 -33.3692 -6.36149 9.9268 -5.67385 11.7607 TIMING: 2821000 CPU: 8175.38, 0.00288613/step Wall: 8175.38, 0.00288613/step, 1.74691 hours remaining, 208.746094 MB of memory in use. ENERGY: 2821000 735.7840 2029.4601 1975.0470 102.9604 -206804.5379 18198.4610 0.0000 0.0000 34289.8490 -149472.9764 299.4618 -183762.8254 -149375.2476 299.3455 143.0870 175.8142 558801.6057 -13.1755 -13.2468 PRESSURE: 2821200 137.461 -253.995 119.222 -253.994 -47.6281 -123.594 119.222 -123.592 86.2689 GPRESSURE: 2821200 160.339 -232.676 85.7918 -208.876 43.0203 -67.0877 98.9256 -159.364 75.6765 PRESSAVG: 2821200 -13.3664 -48.0293 78.4462 -48.0294 51.9052 10.633 78.4462 10.6329 -53.3664 GPRESSAVG: 2821200 -13.1392 -46.7633 75.1964 -49.7518 51.8884 13.8871 79.9334 9.12398 -53.3469 TIMING: 2821200 CPU: 8175.96, 0.00286904/step Wall: 8175.96, 0.00286904/step, 1.73641 hours remaining, 208.746094 MB of memory in use. ENERGY: 2821200 739.2154 2060.9259 1944.1196 122.5580 -206484.1014 17907.7931 0.0000 0.0000 34195.9408 -149513.5486 298.6417 -183709.4894 -149416.2505 297.7916 58.7006 93.0119 558069.0489 -4.9426 -4.8659 PRESSURE: 2821400 -106.425 -6.49794 17.4523 -6.49887 -232.028 20.997 17.4527 20.9963 -88.8926 GPRESSURE: 2821400 -108.766 8.70662 -8.75813 -35.2814 -155.762 -1.294 38.493 -2.92488 -59.0397 PRESSAVG: 2821400 -15.8251 -6.33186 102.422 -6.33196 12.6699 4.4582 102.422 4.45829 25.6292 GPRESSAVG: 2821400 -15.8325 -6.57384 106.61 -5.50829 11.899 0.976584 101.715 4.41174 25.8838 TIMING: 2821400 CPU: 8176.53, 0.00287956/step Wall: 8176.53, 0.00287956/step, 1.74261 hours remaining, 208.746094 MB of memory in use. ENERGY: 2821400 758.9801 2161.0341 1942.7912 113.7188 -206451.7218 17789.9505 0.0000 0.0000 34340.4210 -149344.8260 299.9034 -183685.2470 -149248.0465 298.1163 -142.4485 -107.8560 559111.9308 7.4913 7.3168 PRESSURE: 2821600 -129.238 -160.95 54.2746 -160.951 -115.96 33.0185 54.2742 33.0189 252.995 GPRESSURE: 2821600 -108.139 -112.12 4.70847 -197.5 -58.1083 51.9352 60.3627 25.3972 279.177 PRESSAVG: 2821600 -30.6666 -83.9622 23.5853 -83.9623 -9.28456 47.8047 23.5853 47.8046 58.1425 GPRESSAVG: 2821600 -31.6471 -83.4353 20.8262 -83.2189 -9.94153 48.9782 23.2161 49.1587 59.7342 TIMING: 2821600 CPU: 8177.11, 0.00287422/step Wall: 8177.11, 0.00287423/step, 1.73923 hours remaining, 208.746094 MB of memory in use. ENERGY: 2821600 756.0065 2016.1727 1935.5800 105.4118 -206093.2671 17937.9646 0.0000 0.0000 34283.3134 -149058.8180 299.4047 -183342.1314 -148960.4850 299.4786 2.5990 37.6432 557234.4862 6.0638 6.0485 PRESSURE: 2821800 -291.871 -62.3264 122.771 -62.3248 17.5952 78.049 122.771 78.0483 -119.543 GPRESSURE: 2821800 -193.498 -11.4236 82.1309 -38.0084 -59.8448 26.2445 85.27 69.7954 -47.4928 PRESSAVG: 2821800 20.1549 -44.4565 74.5816 -44.4565 -17.1678 46.9378 74.5816 46.9378 38.2626 GPRESSAVG: 2821800 21.4172 -44.3551 74.9588 -45.0909 -16.6298 46.7543 75.3849 45.991 36.5517 TIMING: 2821800 CPU: 8177.68, 0.00286146/step Wall: 8177.68, 0.00286146/step, 1.73134 hours remaining, 208.746094 MB of memory in use. ENERGY: 2821800 690.7182 2060.2792 1936.8374 104.4841 -205685.6067 17441.4198 0.0000 0.0000 34216.0528 -149235.8151 298.8173 -183451.8679 -149141.0756 299.2802 -131.2730 -100.2787 557716.8387 13.7499 13.7797 PRESSURE: 2822000 -58.3491 48.4952 -4.91264 48.4952 124.853 -207.467 -4.91237 -207.466 -188.482 GPRESSURE: 2822000 -53.0208 54.6008 -34.2332 69.5758 201.696 -182.285 89.3336 -109.163 -171.174 PRESSAVG: 2822000 78.1729 -32.5438 78.1308 -32.5438 -42.4317 -22.0025 78.1308 -22.0024 -46.9192 GPRESSAVG: 2822000 77.7095 -34.9047 78.2172 -32.0296 -41.9663 -22.8259 78.7006 -21.1813 -47.2793 TIMING: 2822000 CPU: 8178.25, 0.00286533/step Wall: 8178.25, 0.00286533/step, 1.73352 hours remaining, 208.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2822000 693.9678 2123.5536 1952.7703 120.1846 -206284.7319 17833.1503 0.0000 0.0000 34192.8535 -149368.2519 298.6147 -183561.1054 -149278.8705 298.8071 -40.6594 -7.4994 558615.0908 -3.7260 -3.8454 PRESSURE: 2822200 -342.478 -44.4305 97.0395 -44.4304 -94.5887 92.9657 97.0389 92.9645 -147.663 GPRESSURE: 2822200 -284.367 -59.3808 101.815 12.4246 -58.8773 89.0351 98.717 120.631 -143.762 PRESSAVG: 2822200 16.191 79.122 17.5854 79.1218 56.3806 7.66206 17.5854 7.66206 -52.3336 GPRESSAVG: 2822200 16.1063 79.8354 19.1456 78.2683 55.3567 8.61534 16.3564 8.84454 -51.924 TIMING: 2822200 CPU: 8178.83, 0.00286499/step Wall: 8178.83, 0.00286499/step, 1.73316 hours remaining, 208.746094 MB of memory in use. ENERGY: 2822200 789.2812 2039.5932 1942.3233 101.5671 -205822.1495 17502.4730 0.0000 0.0000 33910.5741 -149536.3377 296.1495 -183446.9118 -149438.7401 298.5151 -194.9100 -162.3353 557923.9033 6.7460 6.5130 PRESSURE: 2822400 -198.359 -33.4105 75.1981 -33.4098 74.4111 -154.352 75.1983 -154.352 138.126 GPRESSURE: 2822400 -143.739 -3.45333 110.846 -37.4656 102.945 -91.5764 104.773 -136.386 152.455 PRESSAVG: 2822400 44.666 36.2377 33.7784 36.2377 18.0961 27.8292 33.7785 27.8292 -15.3423 GPRESSAVG: 2822400 43.3913 37.3758 33.9646 34.066 19.4929 27.8589 36.2384 28.132 -15.3721 TIMING: 2822400 CPU: 8179.4, 0.00285342/step Wall: 8179.4, 0.00285342/step, 1.726 hours remaining, 208.746094 MB of memory in use. ENERGY: 2822400 717.3461 2046.0280 1944.8319 104.5659 -206275.7140 17790.9349 0.0000 0.0000 34167.9450 -149504.0623 298.3972 -183672.0073 -149411.4718 297.5480 4.7260 37.2205 556738.0097 15.8066 15.8374 PRESSURE: 2822600 26.4647 79.9509 -0.936916 79.9503 43.8606 -25.6874 -0.935621 -25.6873 -181.248 GPRESSURE: 2822600 26.7195 44.8172 -12.6263 108.42 114.326 -107.994 -20.992 -23.0472 -154.147 PRESSAVG: 2822600 10.2036 -41.3588 35.5531 -41.3588 0.427785 -36.723 35.5531 -36.723 -37.626 GPRESSAVG: 2822600 10.3275 -43.9216 34.1877 -36.9511 0.0504505 -36.1024 34.258 -37.1789 -37.6406 TIMING: 2822600 CPU: 8179.97, 0.00286631/step Wall: 8179.97, 0.00286631/step, 1.73364 hours remaining, 208.746094 MB of memory in use. ENERGY: 2822600 763.8187 2090.1965 1965.1619 121.4409 -206391.9820 18012.6242 0.0000 0.0000 34150.1451 -149288.5946 298.2417 -183438.7397 -149201.0637 298.5422 -36.9742 -4.3670 557557.6835 -8.9982 -9.0876 PRESSURE: 2822800 -149.799 47.6086 -105.201 47.6081 -100.187 74.7466 -105.203 74.7464 147.191 GPRESSURE: 2822800 -157.222 24.2819 -96.3159 30.2905 -19.5059 122.542 -161.263 23.0577 173.289 PRESSAVG: 2822800 92.3692 -40.3516 -23.9921 -40.3516 -15.1861 -2.96714 -23.9921 -2.96706 -39.1279 GPRESSAVG: 2822800 92.804 -39.4489 -23.2288 -42.0109 -15.5809 -4.14324 -23.8966 -3.1587 -39.6408 TIMING: 2822800 CPU: 8180.55, 0.00287604/step Wall: 8180.55, 0.00287604/step, 1.73937 hours remaining, 208.746094 MB of memory in use. ENERGY: 2822800 742.7004 2127.1879 1911.8686 112.7619 -206296.6109 17880.7011 0.0000 0.0000 34191.6443 -149329.7468 298.6041 -183521.3911 -149236.5063 298.8717 -34.2650 -1.1461 557450.1473 12.6851 12.5274 PRESSURE: 2823000 121.877 -113.581 19.6815 -113.58 12.1323 -74.1613 19.6817 -74.1624 131.404 GPRESSURE: 2823000 180.702 -231.097 -6.75742 -117.095 53.6829 -154.513 50.29 -36.1672 131.25 PRESSAVG: 2823000 18.0147 -43.012 59.5738 -43.012 18.9793 6.89672 59.5738 6.89675 -7.63691 GPRESSAVG: 2823000 18.0829 -42.4432 60.0966 -43.5947 18.8873 6.27232 57.8322 7.30429 -7.31477 TIMING: 2823000 CPU: 8181.12, 0.00288297/step Wall: 8181.12, 0.00288297/step, 1.74339 hours remaining, 208.746094 MB of memory in use. ENERGY: 2823000 751.1037 2069.5157 1956.3547 115.8553 -205961.4036 17769.4163 0.0000 0.0000 34130.7942 -149168.3637 298.0727 -183299.1579 -149081.3425 299.0969 88.4712 121.8782 555818.6191 9.7857 9.8852 PRESSURE: 2823200 118.287 28.8859 -140.656 28.8854 105.092 -14.1171 -140.655 -14.1154 -100.683 GPRESSURE: 2823200 149.997 48.0657 -172.701 10.814 129.376 -35.1606 -154.547 36.0467 -64.9479 PRESSAVG: 2823200 12.1549 -27.6129 -31.1545 -27.6129 -10.1304 58.8384 -31.1546 58.8385 -11.726 GPRESSAVG: 2823200 12.6195 -27.6335 -33.8853 -26.9181 -9.57342 60.8985 -28.4971 59.0156 -12.8726 TIMING: 2823200 CPU: 8181.7, 0.00287927/step Wall: 8181.7, 0.00287927/step, 1.741 hours remaining, 208.746094 MB of memory in use. ENERGY: 2823200 740.3027 1999.6485 1990.0990 112.2512 -206022.7311 17659.6922 0.0000 0.0000 34438.4046 -149082.3330 300.7592 -183520.7376 -148985.6455 299.8531 40.8988 71.4751 556260.9145 -3.2339 -3.2755 PRESSURE: 2823400 -371.005 -1.02835 29.7041 -1.02816 -77.2063 -72.1186 29.7039 -72.1162 -308.488 GPRESSURE: 2823400 -363.87 25.8726 39.7161 -30.562 -34.6681 7.35929 -29.5434 -47.4297 -249.863 PRESSAVG: 2823400 49.5638 -29.3652 -12.3695 -29.3652 -22.1623 26.7494 -12.3695 26.7494 20.833 GPRESSAVG: 2823400 48.9807 -30.0133 -9.94859 -30.4181 -22.0274 27.6658 -14.0985 27.179 21.0569 TIMING: 2823400 CPU: 8182.28, 0.0028888/step Wall: 8182.28, 0.0028888/step, 1.7466 hours remaining, 208.746094 MB of memory in use. ENERGY: 2823400 744.4837 2071.6032 1941.0779 124.5167 -205688.3327 17389.1535 0.0000 0.0000 34399.7878 -149017.7100 300.4219 -183417.4977 -148918.5318 300.2345 -252.2330 -216.1336 559178.3349 16.0782 16.0034 PRESSURE: 2823600 -66.6641 -90.4768 -112.251 -90.4784 83.4944 135.301 -112.251 135.302 -27.0864 GPRESSURE: 2823600 -31.3213 -64.4494 -118.237 -28.4475 133.459 173.696 -106.117 90.6155 -28.9581 PRESSAVG: 2823600 6.80563 -55.033 -53.8453 -55.033 2.43762 33.4262 -53.8454 33.4262 7.30375 GPRESSAVG: 2823600 7.256 -54.8605 -53.5271 -53.3211 -0.492235 32.0735 -53.9626 32.4752 9.13703 TIMING: 2823600 CPU: 8182.85, 0.00287288/step Wall: 8182.85, 0.00287288/step, 1.73681 hours remaining, 208.746094 MB of memory in use. ENERGY: 2823600 726.4349 2077.5260 1978.8952 108.6513 -206189.4180 17908.5824 0.0000 0.0000 34210.7376 -149178.5905 298.7709 -183389.3282 -149080.9363 301.1855 -3.4187 24.3931 558687.4630 5.5157 5.3003 PRESSURE: 2823800 93.6878 -35.3099 -183.863 -35.3092 107.296 63.4476 -183.863 63.4483 75.7519 GPRESSURE: 2823800 63.3545 -28.0466 -121.492 53.0186 169.081 51.733 -208.136 73.0679 145.246 PRESSAVG: 2823800 -1.07181 3.2524 -58.1019 3.25243 26.098 41.5456 -58.1019 41.5456 -9.40524 GPRESSAVG: 2823800 -2.1913 4.3725 -58.8176 3.02412 28.1559 41.6162 -59.6329 40.3896 -10.4335 TIMING: 2823800 CPU: 8183.43, 0.00289377/step Wall: 8183.43, 0.00289377/step, 1.74928 hours remaining, 208.746094 MB of memory in use. ENERGY: 2823800 722.9124 2066.1542 1975.4982 125.0094 -206381.0207 18033.5095 0.0000 0.0000 34348.7622 -149109.1749 299.9763 -183457.9371 -149013.3522 299.3692 92.2452 125.8937 558841.1496 5.2070 5.1770 PRESSURE: 2824000 -7.85198 -8.59943 -1.17 -8.5997 -98.2739 -16.9391 -1.16966 -16.9393 -236.906 GPRESSURE: 2824000 53.2841 -4.32532 71.0288 2.04246 -96.4328 91.907 -122.86 -2.54969 -197.323 PRESSAVG: 2824000 -0.799192 31.0468 -37.9155 31.0469 -14.0666 -49.2427 -37.9154 -49.2428 35.8102 GPRESSAVG: 2824000 0.140839 33.7237 -37.7872 29.5302 -13.8648 -49.1532 -37.9076 -49.6043 34.7695 TIMING: 2824000 CPU: 8184.01, 0.00288636/step Wall: 8184.01, 0.00288636/step, 1.74464 hours remaining, 208.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2824000 770.8375 2128.7118 1950.9571 116.4697 -206073.9567 17766.1377 0.0000 0.0000 34163.5687 -149177.2744 298.3589 -183340.8430 -149087.1117 298.8400 -114.3439 -80.1572 559500.5960 6.9815 7.0152 PRESSURE: 2824200 31.4347 -193.274 -101.012 -193.275 39.4771 -161.619 -101.011 -161.621 -187.675 GPRESSURE: 2824200 62.8699 -112.947 -127.293 -229.147 36.3883 -217.977 -184.256 -109.218 -118.849 PRESSAVG: 2824200 26.6478 -60.6962 -2.32103 -60.6962 -27.9379 -52.1498 -2.32102 -52.1499 -21.8627 GPRESSAVG: 2824200 27.2796 -63.3497 -3.30286 -59.2394 -28.8032 -52.8614 1.21864 -49.5957 -21.1097 TIMING: 2824200 CPU: 8184.58, 0.00288382/step Wall: 8184.58, 0.00288382/step, 1.74295 hours remaining, 208.746094 MB of memory in use. ENERGY: 2824200 750.7087 2146.2815 1993.9059 127.2016 -206104.7461 17808.9564 0.0000 0.0000 34142.6774 -149135.0146 298.1765 -183277.6920 -149041.0617 298.9679 -38.9209 -6.5304 559312.3667 -7.7176 -7.5444 LDB: ============= START OF LOAD BALANCING ============== 8187.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8187.97 LDB: =============== DONE WITH MIGRATION ================ 8187.97 LDB: ============= START OF LOAD BALANCING ============== 8188.26 LDB: Largest compute 4820 load 0.023280 is 19.7% of average load 0.117908 LDB: Average compute 0.001744 is 1.5% of average load 0.117908 LDB: TIME 8188.26 LOAD: AVG 0.117908 MAX 0.177744 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.285 MB LDB: TIME 8188.26 LOAD: AVG 0.117908 MAX 0.177744 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: TIME 8188.26 LOAD: AVG 0.117908 MAX 0.177744 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8188.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8188.27 PRESSURE: 2824400 -55.3126 -88.2332 -58.6308 -88.233 44.006 115.024 -58.6304 115.024 130.154 GPRESSURE: 2824400 -27.7476 -167.693 16.5404 -38.1263 81.9109 40.287 -116.043 127.323 171.058 PRESSAVG: 2824400 65.1255 -86.9326 -43.4732 -86.9327 10.6524 -0.792972 -43.4731 -0.792806 -79.7048 GPRESSAVG: 2824400 64.3763 -86.8915 -43.3142 -85.7544 11.6287 -2.08606 -44.9661 -0.93065 -80.054 TIMING: 2824400 CPU: 8185.17, 0.00293856/step Wall: 8185.17, 0.00293856/step, 1.77587 hours remaining, 209.574219 MB of memory in use. ENERGY: 2824400 734.0596 2121.3421 1934.9522 112.0140 -206114.7562 17789.1119 0.0000 0.0000 34316.1559 -149107.1206 299.6915 -183423.2765 -149014.1811 298.8151 39.6158 75.0736 558457.3919 -1.3089 -1.3496 PRESSURE: 2824600 -34.3254 68.6876 -141.548 68.6872 39.7747 56.5047 -141.548 56.5064 -38.9357 GPRESSURE: 2824600 35.2737 16.0089 -125.75 133.386 10.971 142.319 -106.604 -82.4011 7.62372 PRESSAVG: 2824600 -17.312 34.7789 1.10624 34.779 51.8344 34.6307 1.10619 34.6306 -12.7798 GPRESSAVG: 2824600 -18.7471 34.1696 1.39138 32.999 51.5793 36.1522 0.935307 33.469 -11.4531 TIMING: 2824600 CPU: 8185.75, 0.00289373/step Wall: 8185.75, 0.00289373/step, 1.74861 hours remaining, 209.574219 MB of memory in use. ENERGY: 2824600 792.4905 2121.3476 1975.8925 131.3669 -206076.0462 17755.8264 0.0000 0.0000 34277.4222 -149021.7001 299.3533 -183299.1223 -148931.5803 299.9981 -11.1621 17.9561 556446.8516 7.2475 7.1264 PRESSURE: 2824800 -191.811 47.7578 -4.1191 47.7586 -66.8847 236.282 -4.12023 236.282 -95.0817 GPRESSURE: 2824800 -204.593 73.4413 59.949 67.1984 25.8676 258.287 -23.9047 185.302 -68.353 PRESSAVG: 2824800 33.2457 45.6157 22.9671 45.6156 -9.51409 71.6902 22.9671 71.6902 -8.86484 GPRESSAVG: 2824800 33.3044 46.5061 24.9591 46.9714 -10.6061 69.5681 20.9017 70.2438 -7.85666 TIMING: 2824800 CPU: 8186.33, 0.00288687/step Wall: 8186.33, 0.00288687/step, 1.74431 hours remaining, 209.574219 MB of memory in use. ENERGY: 2824800 755.8954 2103.1518 1950.9298 120.8617 -205953.4326 17760.1376 0.0000 0.0000 34246.0391 -149016.4173 299.0792 -183262.4563 -148922.3691 299.6601 -117.9260 -82.3595 557024.0469 4.9556 4.9472 PRESSURE: 2825000 71.5133 -99.1053 55.7968 -99.1063 14.2072 125.656 55.7964 125.655 186.531 GPRESSURE: 2825000 66.3571 -72.3623 35.0248 -56.9685 103.344 117.811 -21.3582 119.493 204.428 PRESSAVG: 2825000 72.7504 -32.1213 26.7595 -32.1213 18.3547 6.99169 26.7595 6.99185 -66.543 GPRESSAVG: 2825000 73.2779 -33.5287 24.612 -31.8343 19.1947 8.08156 28.847 9.2019 -67.8219 TIMING: 2825000 CPU: 8186.91, 0.00290353/step Wall: 8186.91, 0.00290353/step, 1.75422 hours remaining, 209.574219 MB of memory in use. ENERGY: 2825000 738.5197 2101.7476 1958.6483 120.8104 -206265.0885 17979.4944 0.0000 0.0000 34328.0389 -149037.8292 299.7953 -183365.8681 -148941.5952 299.9789 90.7506 124.7095 556196.6191 8.1874 8.2169 PRESSURE: 2825200 -55.2003 111.288 12.3711 111.288 -285.843 -115.176 12.3723 -115.174 -323.898 GPRESSURE: 2825200 -31.3313 151.677 7.29105 76.9437 -235.909 -83.5262 98.7569 -33.3169 -303.743 PRESSAVG: 2825200 29.4172 -0.544752 -23.5987 -0.544758 42.5806 6.77628 -23.5987 6.77628 -48.3972 GPRESSAVG: 2825200 29.7053 0.786947 -21.2059 -0.942175 42.2735 8.45515 -24.9614 6.13371 -48.5865 TIMING: 2825200 CPU: 8187.49, 0.00291061/step Wall: 8187.49, 0.00291061/step, 1.75833 hours remaining, 209.574219 MB of memory in use. ENERGY: 2825200 749.9102 2112.7891 1967.8942 120.1988 -205365.0820 17355.7905 0.0000 0.0000 34068.2099 -148990.2894 297.5262 -183058.4992 -148895.8008 298.9813 -221.6470 -190.3277 558317.8748 7.8669 7.7974 PRESSURE: 2825400 109.546 -2.01793 -25.6466 -2.01764 -65.052 -111.351 -25.6469 -111.349 -259.574 GPRESSURE: 2825400 110.687 -41.3256 -0.785948 -1.84397 -6.33573 -75.8295 4.91157 -99.5056 -229.456 PRESSAVG: 2825400 53.3384 23.4615 -45.5546 23.4615 -3.06481 -5.41599 -45.5546 -5.41604 -32.185 GPRESSAVG: 2825400 54.3281 22.2095 -46.5229 22.9648 -3.55951 -5.63108 -46.027 -3.77101 -32.2183 TIMING: 2825400 CPU: 8188.07, 0.00289811/step Wall: 8188.07, 0.00289811/step, 1.75062 hours remaining, 209.574219 MB of memory in use. ENERGY: 2825400 766.3309 2065.0486 1934.0731 110.0392 -206007.6680 17803.4798 0.0000 0.0000 34460.0668 -148868.6296 300.9483 -183328.6965 -148780.8501 300.6576 -71.6934 -41.7015 557864.2203 6.0295 6.1834 PRESSURE: 2825600 -104.822 105.597 -16.16 105.597 109.031 -79.1308 -16.1621 -79.1314 -176.192 GPRESSURE: 2825600 -56.4037 78.4869 -76.8423 183.703 160.172 -50.8982 27.5946 64.5474 -180.846 PRESSAVG: 2825600 -6.55282 42.6727 3.48764 42.6728 13.9175 49.6141 3.48756 49.614 -34.4387 GPRESSAVG: 2825600 -6.33517 43.6788 2.26497 44.0725 14.4236 50.1447 5.87233 47.439 -35.2634 TIMING: 2825600 CPU: 8188.65, 0.0028955/step Wall: 8188.65, 0.0028955/step, 1.74888 hours remaining, 209.574219 MB of memory in use. ENERGY: 2825600 747.8249 2098.5627 1945.0046 98.7099 -205626.6367 17594.9148 0.0000 0.0000 34536.1269 -148605.4929 301.6126 -183141.6199 -148505.7476 300.8553 -57.3276 -25.6927 560250.8869 -9.0247 -9.0583 PRESSURE: 2825800 -156.101 212.632 -15.3989 212.632 -135.623 124.448 -15.3972 124.447 113.44 GPRESSURE: 2825800 -104.05 199.335 101.855 99.0241 -112.151 173.283 -146.827 35.0558 134.771 PRESSAVG: 2825800 2.0794 -8.35231 8.77184 -8.35222 13.6139 17.5101 8.77197 17.5101 26.8081 GPRESSAVG: 2825800 0.349499 -8.58556 11.7702 -9.38111 13.4703 16.3557 5.3173 20.0263 27.9666 TIMING: 2825800 CPU: 8189.22, 0.00287557/step Wall: 8189.22, 0.00287557/step, 1.73669 hours remaining, 209.828125 MB of memory in use. ENERGY: 2825800 728.5251 2069.6712 1940.6830 112.6578 -205655.5469 17707.3698 0.0000 0.0000 34396.3956 -148700.2443 300.3923 -183096.6399 -148600.4374 300.6361 -59.4277 -27.1435 559691.2527 14.1671 13.9288 PRESSURE: 2826000 -22.8159 103.853 -7.40746 103.853 142.996 17.8673 -7.40723 17.865 -80.8416 GPRESSURE: 2826000 32.5183 143.832 1.12161 72.7704 175.03 -125.366 40.0643 47.4588 -59.4117 PRESSAVG: 2826000 -6.2773 -13.5846 19.9075 -13.5847 35.0275 38.3797 19.9075 38.3798 -27.25 GPRESSAVG: 2826000 -4.78537 -13.7692 18.8338 -12.3633 34.597 38.2666 23.6521 34.9433 -28.1028 TIMING: 2826000 CPU: 8189.8, 0.00287329/step Wall: 8189.8, 0.00287329/step, 1.73515 hours remaining, 209.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2826000 715.4737 2102.5626 1937.5030 108.2116 -206066.6223 17969.4624 0.0000 0.0000 34371.2884 -148862.1205 300.1730 -183233.4089 -148769.7746 300.5737 13.1127 49.3788 559574.7621 0.5001 0.5696 PRESSURE: 2826200 -253.651 -136.989 5.59085 -136.989 120.962 112.656 5.5916 112.654 -245.144 GPRESSURE: 2826200 -259.953 -154.675 -23.6504 -97.1006 152.268 94.4314 -0.799468 39.1838 -177.63 PRESSAVG: 2826200 -14.2999 37.4413 22.4868 37.4413 42.4988 65.4466 22.4868 65.4466 -16.6964 GPRESSAVG: 2826200 -14.1005 37.8726 20.5826 36.7453 42.866 63.2484 19.8606 67.1864 -17.5392 TIMING: 2826200 CPU: 8190.38, 0.00288724/step Wall: 8190.38, 0.00288724/step, 1.74341 hours remaining, 209.828125 MB of memory in use. ENERGY: 2826200 752.0815 2126.6784 1950.6846 117.4783 -205856.3757 17639.8913 0.0000 0.0000 34470.2141 -148799.3476 301.0370 -183269.5617 -148706.6515 300.6351 -125.9445 -95.1049 559387.4119 3.8342 3.7421 PRESSURE: 2826400 -197.102 47.7281 23.8508 47.7286 -21.7983 81.9779 23.8508 81.979 -139.503 GPRESSURE: 2826400 -105.704 0.490809 51.2419 37.7998 -17.8621 66.3919 -99.7462 198.46 -152.8 PRESSAVG: 2826400 63.8976 -12.1606 -4.60072 -12.1607 42.2594 -43.9326 -4.60074 -43.9326 -99.3444 GPRESSAVG: 2826400 63.6715 -11.3216 -3.97137 -11.1056 41.083 -39.9916 -2.48614 -43.0225 -97.701 TIMING: 2826400 CPU: 8190.95, 0.00287839/step Wall: 8190.95, 0.00287839/step, 1.73791 hours remaining, 209.828125 MB of memory in use. ENERGY: 2826400 733.2068 2139.6024 1950.8738 134.8425 -205610.8690 17504.7625 0.0000 0.0000 34294.8475 -148852.7335 299.5054 -183147.5811 -148753.5981 300.4168 -119.4678 -92.1220 557803.9411 2.2709 2.3512 PRESSURE: 2826600 -210.645 123.912 4.10178 123.911 -264.34 40.4525 4.10187 40.4536 -80.2887 GPRESSURE: 2826600 -224.49 207.74 1.07556 86.998 -180.86 -33.2358 -42.4843 46.248 -54.5337 PRESSAVG: 2826600 20.3236 11.4897 -17.0382 11.4896 -25.4803 -50.8351 -17.0382 -50.8352 15.2254 GPRESSAVG: 2826600 19.5588 10.8125 -16.8026 10.163 -25.1959 -52.5214 -18.2883 -52.5506 15.2973 TIMING: 2826600 CPU: 8191.53, 0.00289444/step Wall: 8191.53, 0.00289444/step, 1.74744 hours remaining, 209.828125 MB of memory in use. ENERGY: 2826600 730.6332 2061.6248 1958.9324 109.3138 -205730.6189 17492.2979 0.0000 0.0000 34647.7643 -148730.0525 302.5875 -183377.8168 -148629.4430 300.7913 -185.0913 -153.2946 558046.4767 3.3562 3.2201 PRESSURE: 2826800 -64.3196 1.71679 -60.0305 1.71618 -219.133 -44.1254 -60.0305 -44.1257 -32.1855 GPRESSURE: 2826800 -23.3609 -18.323 -80.0687 79.7432 -207.643 -7.12567 -38.9972 -44.4044 6.70447 PRESSAVG: 2826800 7.52605 -41.0954 29.1659 -41.0955 -2.9686 5.73146 29.1659 5.73155 10.1744 GPRESSAVG: 2826800 9.31165 -40.5615 27.8743 -42.8598 -3.32086 4.6074 29.938 7.55271 8.60598 TIMING: 2826800 CPU: 8192.11, 0.00287421/step Wall: 8192.11, 0.00287421/step, 1.73507 hours remaining, 209.828125 MB of memory in use. ENERGY: 2826800 752.1674 2075.5562 1950.2099 109.6118 -205855.8362 17666.3482 0.0000 0.0000 34280.5715 -149021.3712 299.3808 -183301.9427 -148922.9422 300.4150 -105.2128 -74.7665 558697.9223 4.9106 4.8656 PRESSURE: 2827000 -53.4695 -115.114 144.458 -115.115 62.2697 159.135 144.458 159.135 102.793 GPRESSURE: 2827000 -49.4584 -115.839 200.215 -87.9515 104.642 112.175 125.523 190.601 156.897 PRESSAVG: 2827000 -56.1568 35.6871 -36.1187 35.6871 45.4348 -13.5443 -36.1187 -13.5442 62.1595 GPRESSAVG: 2827000 -56.7416 36.0014 -35.5756 38.5195 45.9156 -13.3609 -34.9342 -13.7236 62.5329 TIMING: 2827000 CPU: 8192.68, 0.00287393/step Wall: 8192.68, 0.00287393/step, 1.73474 hours remaining, 209.828125 MB of memory in use. ENERGY: 2827000 768.7006 2082.2970 1939.8825 101.5845 -206206.4209 17804.0625 0.0000 0.0000 34326.6070 -149183.2869 299.7828 -183509.8939 -149082.8000 300.3840 37.1977 70.6934 556028.8830 17.1458 17.2356 PRESSURE: 2827200 -234.802 -6.16332 60.7819 -6.16177 -226.372 88.5443 60.7812 88.5441 -87.2005 GPRESSURE: 2827200 -190.457 138.137 -30.898 39.5797 -287.192 55.1327 111.25 56.3328 22.3089 PRESSAVG: 2827200 -24.34 22.5586 -6.64153 22.5586 -14.0785 39.347 -6.64165 39.347 -15.3317 GPRESSAVG: 2827200 -24.6133 22.6757 -6.57608 23.595 -13.8971 39.6119 -9.23907 40.6644 -15.9265 TIMING: 2827200 CPU: 8193.26, 0.00287495/step Wall: 8193.26, 0.00287495/step, 1.73519 hours remaining, 209.828125 MB of memory in use. ENERGY: 2827200 755.0460 2083.5154 1974.4590 107.1838 -205776.0643 17483.8402 0.0000 0.0000 34257.3232 -149114.6968 299.1777 -183372.0199 -149013.1026 298.8548 -182.7916 -151.7802 556809.5174 -17.9167 -18.1456 PRESSURE: 2827400 -221.6 177.884 -86.7793 177.884 -265.581 62.8438 -86.7792 62.8438 -92.8152 GPRESSURE: 2827400 -159.728 161.543 -155.727 251.703 -277.172 -19.4006 -50.5857 114.292 -35.5033 PRESSAVG: 2827400 84.3828 50.542 -60.7941 50.5419 -53.9164 -19.3708 -60.7941 -19.3709 -21.8074 GPRESSAVG: 2827400 84.4631 50.6914 -58.39 47.7458 -53.8077 -19.4244 -60.4946 -19.6345 -21.7692 TIMING: 2827400 CPU: 8193.83, 0.00286744/step Wall: 8193.83, 0.00286744/step, 1.7305 hours remaining, 209.828125 MB of memory in use. ENERGY: 2827400 756.3803 2112.2236 1905.0804 111.2802 -205679.1242 17442.6412 0.0000 0.0000 34268.5355 -149082.9830 299.2756 -183351.5185 -148987.9322 299.9583 -193.3322 -157.4678 558102.7825 2.8863 2.9621 PRESSURE: 2827600 110.955 17.986 -54.2885 17.9864 -38.0202 -120.199 -54.2894 -120.198 -42.9798 GPRESSURE: 2827600 107.106 71.2707 -15.7812 -21.681 38.8973 -182.829 -41.7354 -60.9072 -3.42603 PRESSAVG: 2827600 23.3893 46.1814 12.9603 46.1813 1.39836 -19.9692 12.9603 -19.9691 -12.1135 GPRESSAVG: 2827600 23.4137 46.3886 10.8017 46.3948 0.689232 -19.4008 11.9508 -20.8261 -11.5126 TIMING: 2827600 CPU: 8194.41, 0.00288415/step Wall: 8194.41, 0.00288415/step, 1.74042 hours remaining, 209.828125 MB of memory in use. ENERGY: 2827600 767.8553 2095.3882 1960.9617 103.5568 -206160.6140 17928.3171 0.0000 0.0000 34143.9708 -149160.5641 298.1878 -183304.5349 -149064.5280 299.0818 9.9851 47.5257 558650.5535 4.2247 4.1968 PRESSURE: 2827800 -379.171 168.489 13.6215 168.489 78.2444 -351.568 13.622 -351.567 33.9441 GPRESSURE: 2827800 -369.674 137.094 66.3478 128.6 118.852 -377.618 -48.9471 -282.428 80.8706 PRESSAVG: 2827800 -13.284 25.9491 -18.5199 25.9492 26.9884 -39.7105 -18.5199 -39.7104 20.7354 GPRESSAVG: 2827800 -14.3332 24.5961 -17.72 25.7358 26.991 -37.9527 -16.7947 -39.7353 21.4606 TIMING: 2827800 CPU: 8194.98, 0.00287973/step Wall: 8194.98, 0.00287973/step, 1.7376 hours remaining, 209.828125 MB of memory in use. ENERGY: 2827800 803.5009 2088.5513 1976.4950 110.4865 -206049.4330 17773.7352 0.0000 0.0000 34127.4715 -149169.1925 298.0437 -183296.6640 -149069.9264 298.9993 -88.9943 -56.6502 558983.8935 11.4799 11.3728 PRESSURE: 2828000 -367.106 5.56223 -143.325 5.56189 -53.2134 -30.2212 -143.324 -30.2217 -63.6558 GPRESSURE: 2828000 -293.776 -2.79192 -168.073 -11.3866 -78.3184 26.9549 -73.787 -67.1895 -11.6176 PRESSAVG: 2828000 -1.16857 18.6182 -8.98987 18.6182 -37.1657 -41.2558 -8.9898 -41.2557 10.4253 GPRESSAVG: 2828000 0.392509 19.8582 -8.99302 19.4479 -36.3791 -45.1973 -8.80316 -40.7755 8.22737 TIMING: 2828000 CPU: 8195.56, 0.00287181/step Wall: 8195.56, 0.00287181/step, 1.73266 hours remaining, 209.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2828000 742.9364 2086.4425 1945.2452 104.4250 -205858.5520 17666.5375 0.0000 0.0000 34156.3580 -149156.6073 298.2960 -183312.9653 -149064.3891 299.2447 -161.3251 -127.9039 559692.5034 -9.3030 -9.2531 PRESSURE: 2828200 68.9519 -68.062 7.94594 -68.0627 54.1628 -286.222 7.94489 -286.222 37.889 GPRESSURE: 2828200 17.4145 -23.6658 25.7284 -98.5487 116.439 -273.238 -30.4348 -207.385 122.139 PRESSAVG: 2828200 -50.8764 2.29337 -9.70773 2.29337 -35.1343 -97.6118 -9.70774 -97.612 51.982 GPRESSAVG: 2828200 -50.8752 3.31443 -10.1066 2.65763 -34.4665 -96.9982 -8.24998 -97.7036 51.7181 TIMING: 2828200 CPU: 8196.13, 0.00287735/step Wall: 8196.13, 0.00287735/step, 1.73584 hours remaining, 209.839844 MB of memory in use. ENERGY: 2828200 750.6745 2076.8641 1955.9664 121.7368 -206623.0589 17945.4711 0.0000 0.0000 34547.9741 -149224.3719 301.7161 -183772.3460 -149131.2541 299.1692 53.6679 85.3310 556511.0077 -11.3429 -11.2079 LDB: ============= START OF LOAD BALANCING ============== 8199.52 LDB: ============== END OF LOAD BALANCING =============== 8199.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8199.52 LDB: ============= START OF LOAD BALANCING ============== 8199.81 LDB: Largest compute 4820 load 0.024025 is 20.4% of average load 0.117968 LDB: Average compute 0.001747 is 1.5% of average load 0.117968 LDB: TIME 8199.81 LOAD: AVG 0.117968 MAX 0.179137 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.516 MB LDB: TIME 8199.81 LOAD: AVG 0.117968 MAX 0.179137 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: TIME 8199.81 LOAD: AVG 0.117968 MAX 0.179137 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: ============== END OF LOAD BALANCING =============== 8199.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8199.82 PRESSURE: 2828400 -139.284 46.6558 -31.6031 46.6558 -86.7771 57.5085 -31.6018 57.5068 -228.006 GPRESSURE: 2828400 -150.888 93.2928 14.5442 29.5665 -53.4521 2.11553 -126.285 32.88 -156.713 PRESSAVG: 2828400 18.7542 17.5307 -67.4598 17.5307 -40.0851 -36.4829 -67.4598 -36.4829 -6.01186 GPRESSAVG: 2828400 18.4532 14.6098 -68.0178 18.148 -41.2518 -35.0806 -69.312 -36.6895 -4.73678 TIMING: 2828400 CPU: 8196.72, 0.00295626/step Wall: 8196.72, 0.00295626/step, 1.78328 hours remaining, 208.746094 MB of memory in use. ENERGY: 2828400 765.9320 2071.0202 1946.8670 118.1096 -206058.6716 17609.0429 0.0000 0.0000 34101.8366 -149445.8633 297.8198 -183547.6999 -149357.9102 298.7107 -151.3555 -120.3508 557752.5318 -9.1143 -9.1784 PRESSURE: 2828600 -26.4032 54.5834 -48.1205 54.5828 126.964 -25.4001 -48.1215 -25.401 208.18 GPRESSURE: 2828600 4.32103 31.9504 45.5237 20.1032 177.954 -101.717 -129.187 -48.5986 226.414 PRESSAVG: 2828600 -14.8432 55.4749 19.6901 55.4749 -19.7676 -44.4551 19.6901 -44.4551 13.9885 GPRESSAVG: 2828600 -15.2518 55.7793 17.6997 54.967 -18.5691 -45.5359 19.8223 -44.5244 13.1199 TIMING: 2828600 CPU: 8197.3, 0.00289168/step Wall: 8197.3, 0.00289168/step, 1.74416 hours remaining, 208.746094 MB of memory in use. ENERGY: 2828600 713.5103 2117.4243 1949.2915 117.4580 -206403.4413 18005.3627 0.0000 0.0000 34119.6635 -149380.7311 297.9755 -183500.3946 -149296.7260 298.0443 102.9136 136.2294 557257.9541 -6.8741 -6.9003 PRESSURE: 2828800 -242.293 -100.413 -144.419 -100.412 -110.943 -120.229 -144.419 -120.229 -371.141 GPRESSURE: 2828800 -243.986 -186.598 -123.816 -56.2052 -78.4103 -148.304 -123.58 -130.625 -307.217 PRESSAVG: 2828800 13.0495 11.3265 22.1702 11.3266 5.18959 -44.4076 22.1703 -44.4076 -30.0024 GPRESSAVG: 2828800 11.8689 12.5029 24.2261 11.4383 5.10756 -42.7557 24.4588 -45.8292 -29.2963 TIMING: 2828800 CPU: 8197.88, 0.00290762/step Wall: 8197.88, 0.00290762/step, 1.75362 hours remaining, 208.949219 MB of memory in use. ENERGY: 2828800 751.6396 2148.3656 1969.0150 106.5832 -205815.5592 17382.4691 0.0000 0.0000 34138.6220 -149318.8646 298.1411 -183457.4866 -149221.2251 299.3377 -241.4590 -209.8713 558886.8079 -3.9211 -4.1066 PRESSURE: 2829000 63.8977 20.0694 155.349 20.068 30.0128 80.6025 155.349 80.6021 42.2324 GPRESSURE: 2829000 97.3578 -29.1837 266.833 21.0383 110.159 96.3851 56.194 104.848 36.7182 PRESSAVG: 2829000 -36.2693 -0.384632 -26.6496 -0.38477 5.75153 -30.1926 -26.6496 -30.1925 0.426343 GPRESSAVG: 2829000 -34.5185 -0.965107 -27.9327 -0.245899 4.96083 -29.911 -27.1154 -29.1377 -0.339776 TIMING: 2829000 CPU: 8198.46, 0.00289497/step Wall: 8198.46, 0.00289497/step, 1.74583 hours remaining, 208.949219 MB of memory in use. ENERGY: 2829000 713.2308 2079.1489 1947.0156 115.1191 -206236.4566 17763.4942 0.0000 0.0000 34115.8317 -149502.6162 297.9420 -183618.4479 -149407.3355 298.2159 45.3810 81.4116 556850.0925 -10.0305 -9.9658 PRESSURE: 2829200 240.99 -66.4988 -116.486 -66.4995 143.558 -6.72768 -116.487 -6.72738 -163.231 GPRESSURE: 2829200 225.178 -46.0791 -75.1027 -93.6327 168.984 19.5167 -73.1963 -39.3884 -60.9359 PRESSAVG: 2829200 51.125 -19.2085 50.9347 -19.2085 -8.06185 -40.5533 50.9348 -40.5532 -39.9736 GPRESSAVG: 2829200 51.7035 -18.6101 50.5248 -17.8443 -8.28454 -39.5958 51.4666 -42.7024 -39.5648 TIMING: 2829200 CPU: 8199.04, 0.00291097/step Wall: 8199.04, 0.00291097/step, 1.75531 hours remaining, 208.949219 MB of memory in use. ENERGY: 2829200 747.9185 2124.5803 1943.3897 117.1067 -206237.7086 17880.6218 0.0000 0.0000 34064.3751 -149359.7164 297.4927 -183424.0915 -149268.6643 298.4022 73.7722 111.0753 558299.9439 1.0298 1.2847 PRESSURE: 2829400 98.9228 -127.413 65.716 -127.414 -82.0618 88.1677 65.7168 88.1695 85.2373 GPRESSURE: 2829400 133.017 -182.035 37.3433 -187.177 -81.5332 77.2374 85.3997 99.1489 164.938 PRESSAVG: 2829400 30.6201 -47.9118 16.3384 -47.9119 10.7247 -1.15705 16.3384 -1.15706 -8.04911 GPRESSAVG: 2829400 29.065 -47.4775 16.8622 -49.2684 11.6586 -1.66172 14.2897 -0.783076 -6.95594 TIMING: 2829400 CPU: 8199.62, 0.00289334/step Wall: 8199.62, 0.00289334/step, 1.74452 hours remaining, 208.949219 MB of memory in use. ENERGY: 2829400 776.3197 2109.5311 1945.0563 108.3565 -206578.9218 18229.5135 0.0000 0.0000 33929.2177 -149480.9271 296.3123 -183410.1448 -149387.6034 298.3899 34.0328 72.1406 558385.2334 11.0986 11.2559 PRESSURE: 2829600 196.695 63.3873 103.158 63.3874 -278.087 -238.868 103.158 -238.869 -112.526 GPRESSURE: 2829600 216.123 4.1168 105.857 53.2975 -262.576 -292.339 27.9787 -214.469 -38.9577 PRESSAVG: 2829600 51.3974 -58.2908 46.3831 -58.2908 11.3667 -9.24359 46.3831 -9.24371 -32.8851 GPRESSAVG: 2829600 53.0238 -58.986 48.2724 -56.2186 10.8624 -9.92243 46.048 -6.70768 -34.1176 TIMING: 2829600 CPU: 8200.2, 0.00289835/step Wall: 8200.2, 0.00289835/step, 1.74739 hours remaining, 208.949219 MB of memory in use. ENERGY: 2829600 779.9208 2131.3572 1953.8415 119.3088 -206517.1762 17661.9441 0.0000 0.0000 34404.4591 -149466.3447 300.4627 -183870.8038 -149370.9734 299.0553 -64.6394 -28.4701 558321.0558 9.9597 9.9229 PRESSURE: 2829800 -56.8728 -116.374 -210.834 -116.374 -27.8627 16.2663 -210.833 16.2668 222.473 GPRESSURE: 2829800 1.7566 -95.277 -110.647 -149.465 37.4414 -17.427 -166.155 130.35 201.763 PRESSAVG: 2829800 54.9057 -1.61836 43.0783 -1.61831 12.872 -3.33494 43.0783 -3.33489 -46.3361 GPRESSAVG: 2829800 54.5901 -0.0438788 42.0858 -3.64797 13.5458 -3.81601 42.5248 -3.26162 -46.4124 TIMING: 2829800 CPU: 8200.78, 0.00290142/step Wall: 8200.78, 0.00290142/step, 1.74907 hours remaining, 208.949219 MB of memory in use. ENERGY: 2829800 821.9283 2086.5482 1964.3628 120.2247 -206636.2910 18021.3330 0.0000 0.0000 34149.3962 -149472.4978 298.2352 -183621.8940 -149371.4915 299.0928 45.9124 80.3204 556398.8533 7.1472 7.2412 PRESSURE: 2830000 -96.4795 -73.3223 143.208 -73.322 -88.3884 101.689 143.208 101.688 -315.837 GPRESSURE: 2830000 -48.6322 -99.0127 90.9473 -91.7339 -49.2153 146.83 78.956 30.8643 -314.843 PRESSAVG: 2830000 4.51725 16.9549 -25.7786 16.9549 -21.8894 -25.4988 -25.7786 -25.4988 -7.03079 GPRESSAVG: 2830000 3.97891 15.7354 -26.09 16.1505 -22.0853 -27.0575 -23.45 -24.1652 -6.06172 TIMING: 2830000 CPU: 8201.36, 0.00290703/step Wall: 8201.36, 0.00290703/step, 1.75229 hours remaining, 208.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2830000 736.6428 2145.9428 1967.9658 125.0362 -206182.5795 17685.3905 0.0000 0.0000 34069.8389 -149451.7625 297.5404 -183521.6014 -149353.0231 299.2485 -166.9017 -137.5634 558007.6698 -8.1343 -8.0560 PRESSURE: 2830200 48.2735 -7.0476 -161.548 -7.0475 -67.4754 -98.574 -161.549 -98.5753 20.1411 GPRESSURE: 2830200 126.931 1.05888 -172.465 55.3997 -75.0219 -63.9883 -154.149 -81.5531 42.6526 PRESSAVG: 2830200 41.1455 15.3029 -3.20987 15.3029 14.549 -19.8451 -3.20999 -19.845 -36.915 GPRESSAVG: 2830200 41.5158 14.5138 -1.43488 14.8175 14.6907 -18.5357 -3.82249 -23.6478 -37.9435 TIMING: 2830200 CPU: 8201.94, 0.00290436/step Wall: 8201.94, 0.00290436/step, 1.75052 hours remaining, 208.949219 MB of memory in use. ENERGY: 2830200 748.6257 2112.1272 1947.9842 109.6342 -206623.5335 18043.6842 0.0000 0.0000 34289.7625 -149371.7155 299.4610 -183661.4780 -149277.7396 299.0523 0.3130 31.5206 558875.3104 6.2598 6.0876 PRESSURE: 2830400 -113.136 110.278 157.936 110.278 27.9188 -23.55 157.935 -23.5496 108.085 GPRESSURE: 2830400 -104.555 53.6569 84.6367 71.2349 83.5021 14.7684 230.637 -89.2599 138.589 PRESSAVG: 2830400 67.6063 36.2976 -28.1656 36.2975 -39.9383 58.3508 -28.1657 58.3507 21.2241 GPRESSAVG: 2830400 68.7578 36.6325 -32.397 37.4969 -41.3478 57.6471 -28.5529 60.4648 21.0601 TIMING: 2830400 CPU: 8202.52, 0.00289674/step Wall: 8202.52, 0.00289674/step, 1.74577 hours remaining, 208.949219 MB of memory in use. ENERGY: 2830400 761.1581 2091.1101 1952.6070 102.1052 -206642.8644 18021.6287 0.0000 0.0000 34264.5063 -149449.7490 299.2405 -183714.2553 -149348.7300 299.3945 7.6224 39.1786 557033.1701 16.2974 16.1567 PRESSURE: 2830600 178.148 -116.295 -103.589 -116.295 -18.9845 -181.973 -103.589 -181.973 0.769615 GPRESSURE: 2830600 215.525 -115.881 -119.547 -47.043 -20.3517 -135.385 -154.486 -149.571 48.566 PRESSAVG: 2830600 -30.9738 19.8218 19.5893 19.8217 -60.3751 -20.1932 19.5893 -20.1933 98.4933 GPRESSAVG: 2830600 -33.4242 19.5383 22.8815 18.6937 -58.8051 -20.6258 19.3376 -19.5127 99.7448 TIMING: 2830600 CPU: 8203.11, 0.0029055/step Wall: 8203.11, 0.0029055/step, 1.75089 hours remaining, 208.949219 MB of memory in use. ENERGY: 2830600 755.7333 2074.6300 1969.3069 110.4593 -206451.1055 17884.4538 0.0000 0.0000 34169.6312 -149486.8910 298.4119 -183656.5222 -149394.1558 298.1255 53.3110 81.2464 556159.1281 2.3815 2.5052 PRESSURE: 2830800 -179.75 -55.2015 -129.909 -55.2012 -262.66 34.5365 -129.908 34.5364 -250.678 GPRESSURE: 2830800 -112.144 -115.503 -129.715 -65.8756 -267.728 4.87091 -88.7207 23.5203 -217.513 PRESSAVG: 2830800 -8.70126 0.082682 17.1574 0.0826887 21.4293 -19.9472 17.1574 -19.9472 -20.6702 GPRESSAVG: 2830800 -8.58638 0.861555 16.7741 1.75086 22.155 -20.3271 17.0035 -20.2544 -21.0963 TIMING: 2830800 CPU: 8203.68, 0.00288113/step Wall: 8203.68, 0.00288113/step, 1.73604 hours remaining, 208.949219 MB of memory in use. ENERGY: 2830800 764.9505 2051.0125 1961.0334 125.5137 -205973.9611 17336.0800 0.0000 0.0000 34321.0080 -149414.3630 299.7339 -183735.3710 -149322.8077 298.8576 -231.0292 -199.1283 556646.8842 -2.6474 -2.5092 PRESSURE: 2831000 7.77357 -38.5178 -162.244 -38.5178 -187.995 54.051 -162.243 54.051 -100.034 GPRESSURE: 2831000 36.9625 -60.9304 -160.554 -12.8667 -148.884 144.947 -124.584 24.8993 -74.4243 PRESSAVG: 2831000 -11.5869 4.27767 -4.52032 4.27763 -4.27354 20.2676 -4.52028 20.2676 28.0845 GPRESSAVG: 2831000 -10.4806 4.25154 -4.17342 3.20513 -5.39016 20.7343 -2.48262 19.9851 27.9363 TIMING: 2831000 CPU: 8204.26, 0.00288391/step Wall: 8204.26, 0.00288391/step, 1.73756 hours remaining, 208.949219 MB of memory in use. ENERGY: 2831000 717.0294 2096.6358 1932.2422 121.1716 -205765.5986 17394.2735 0.0000 0.0000 34165.8613 -149338.3849 298.3790 -183504.2462 -149238.9697 299.5953 -93.4183 -62.1154 556661.6578 4.0747 4.0219 PRESSURE: 2831200 6.9524 116.663 28.222 116.663 228.339 89.3166 28.2214 89.314 51.3393 GPRESSURE: 2831200 66.6947 168.717 18.0383 94.4113 296.628 83.2542 -31.1701 148.386 24.7773 PRESSAVG: 2831200 -6.79186 39.3853 -9.55746 39.3853 -17.7938 45.7478 -9.5575 45.7478 39.8384 GPRESSAVG: 2831200 -5.93961 37.9378 -9.07696 39.1925 -18.3283 47.7721 -12.5696 45.8272 39.2159 TIMING: 2831200 CPU: 8204.84, 0.00289548/step Wall: 8204.84, 0.00289548/step, 1.74436 hours remaining, 208.949219 MB of memory in use. ENERGY: 2831200 725.7543 2074.2874 1980.2984 118.8147 -206285.5066 18015.9468 0.0000 0.0000 34271.4940 -149098.9110 299.3015 -183370.4050 -149006.1278 299.6028 95.5436 129.3666 557377.1762 5.0842 4.9826 PRESSURE: 2831400 -15.3248 101.139 -154.634 101.139 55.5309 72.9265 -154.633 72.9258 -88.1188 GPRESSURE: 2831400 22.0488 116.372 -99.0939 32.9986 23.8347 2.34529 -122.111 121.315 -8.1783 PRESSAVG: 2831400 69.3239 -7.40044 -45.0666 -7.4005 -45.1372 44.2581 -45.0665 44.2582 -13.4285 GPRESSAVG: 2831400 69.3164 -5.54957 -46.4138 -8.20572 -45.9845 42.983 -43.7778 44.7203 -12.3242 TIMING: 2831400 CPU: 8205.41, 0.00288462/step Wall: 8205.41, 0.00288462/step, 1.73767 hours remaining, 208.949219 MB of memory in use. ENERGY: 2831400 768.9074 2063.6147 1937.3054 98.8198 -206246.2899 17886.0987 0.0000 0.0000 34168.0978 -149323.4461 298.3985 -183491.5439 -149217.2134 299.2953 -15.9709 12.5684 557656.6069 3.5861 3.6692 PRESSURE: 2831600 230.961 -14.7363 -136.484 -14.7357 -273.443 -44.6452 -136.484 -44.6445 -146.539 GPRESSURE: 2831600 243.307 13.7896 -149.321 -37.5398 -223.088 -70.7751 -195.142 -21.4752 -95.2563 PRESSAVG: 2831600 65.4235 -7.2188 18.3789 -7.21874 -34.1375 43.9733 18.3789 43.9734 -45.3214 GPRESSAVG: 2831600 65.0799 -7.92517 18.9889 -6.52694 -33.7501 42.8908 18.9041 42.1575 -45.0904 TIMING: 2831600 CPU: 8206, 0.00292154/step Wall: 8206, 0.00292154/step, 1.75974 hours remaining, 208.949219 MB of memory in use. ENERGY: 2831600 764.7379 2100.2479 1950.7464 113.4890 -206540.5286 17966.9556 0.0000 0.0000 34382.6583 -149261.6936 300.2723 -183644.3518 -149162.0093 299.2896 -63.0070 -25.0124 557762.8611 -4.6784 -4.5869 PRESSURE: 2831800 61.2453 169.794 -52.5208 169.796 -297.717 -34.0846 -52.5205 -34.0844 -278.074 GPRESSURE: 2831800 91.9434 111.834 -119.609 179.989 -276.679 -64.9687 -12.0075 -87.996 -227.657 PRESSAVG: 2831800 54.7153 27.8431 13.9685 27.8432 16.4412 -20.3457 13.9684 -20.3457 -38.9111 GPRESSAVG: 2831800 55.5685 29.7204 13.4582 26.6164 16.224 -19.1798 14.6621 -18.4593 -39.3425 TIMING: 2831800 CPU: 8206.58, 0.00289302/step Wall: 8206.58, 0.00289302/step, 1.7424 hours remaining, 208.949219 MB of memory in use. ENERGY: 2831800 762.4939 2058.6736 1970.4954 108.6271 -205768.3764 17397.4860 0.0000 0.0000 34363.2392 -149107.3612 300.1027 -183470.6004 -149014.0865 299.7762 -171.5152 -137.4640 556610.2155 10.7485 10.8167 PRESSURE: 2832000 -189.223 -26.6541 122.304 -26.6544 -76.3124 -53.4264 122.303 -53.4263 -102.087 GPRESSURE: 2832000 -142.477 -30.8636 153.918 -102.827 -89.4005 -24.7337 61.3734 -79.4262 -36.5599 PRESSAVG: 2832000 20.1187 39.5465 23.1043 39.5466 -16.3365 -6.69366 23.1043 -6.69369 2.57659 GPRESSAVG: 2832000 20.6931 37.2282 21.3774 40.9328 -17.1055 -6.01154 23.5226 -7.78027 2.161 TIMING: 2832000 CPU: 8207.16, 0.00292399/step Wall: 8207.16, 0.00292399/step, 1.76089 hours remaining, 208.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2832000 760.1707 2072.5619 1959.4293 98.6317 -205609.4430 17608.3085 0.0000 0.0000 34060.9905 -149049.3506 297.4631 -183110.3410 -148953.1136 298.9233 -122.5411 -89.4791 557498.6171 2.1196 1.9162 PRESSURE: 2832200 47.0577 -3.53433 118.339 -3.53464 -74.5461 -219.635 118.339 -219.636 -33.023 GPRESSURE: 2832200 61.4249 -48.0312 106.298 -8.43822 -60.3929 -250.107 103.196 -157.383 19.3532 PRESSAVG: 2832200 34.9177 42.2737 34.133 42.2738 2.69257 -19.8724 34.1329 -19.8724 -6.06353 GPRESSAVG: 2832200 33.9623 42.0542 36.7241 40.9653 3.39247 -22.1749 30.8264 -19.219 -6.23293 TIMING: 2832200 CPU: 8207.74, 0.00289973/step Wall: 8207.74, 0.00289973/step, 1.74612 hours remaining, 208.949219 MB of memory in use. ENERGY: 2832200 780.3554 2034.2666 1957.8358 112.1094 -205759.2345 17657.4670 0.0000 0.0000 34351.1163 -148866.0840 299.9968 -183217.2003 -148767.4547 299.6055 -20.1705 6.7951 556529.5597 10.5156 10.3739 LDB: ============= START OF LOAD BALANCING ============== 8211.13 LDB: ============== END OF LOAD BALANCING =============== 8211.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8211.13 LDB: ============= START OF LOAD BALANCING ============== 8211.42 LDB: Largest compute 4820 load 0.022813 is 19.3% of average load 0.118002 LDB: Average compute 0.001750 is 1.5% of average load 0.118002 LDB: TIME 8211.42 LOAD: AVG 0.118002 MAX 0.180963 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.773 MB LDB: TIME 8211.42 LOAD: AVG 0.118002 MAX 0.180963 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 8211.42 LOAD: AVG 0.118002 MAX 0.180963 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8211.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8211.43 PRESSURE: 2832400 -151.439 -158.12 3.36631 -158.12 -158.049 67.8405 3.36503 67.8396 188.048 GPRESSURE: 2832400 -90.5342 -114.356 49.9872 -139.72 -123.09 114.841 -20.4202 25.6868 193.137 PRESSAVG: 2832400 15.757 -13.2109 30.0778 -13.2109 -29.5548 -7.83408 30.0778 -7.8341 68.1605 GPRESSAVG: 2832400 15.7067 -11.9464 27.9286 -11.0814 -30.1016 -6.7615 33.8195 -8.11422 69.1083 TIMING: 2832400 CPU: 8208.33, 0.00295875/step Wall: 8208.33, 0.00295875/step, 1.7815 hours remaining, 208.800781 MB of memory in use. ENERGY: 2832400 802.1546 2085.9609 1973.2537 116.0771 -206125.9843 17749.5188 0.0000 0.0000 34376.4052 -149022.6140 300.2177 -183399.0192 -148928.8646 299.5344 -40.4798 -6.8292 555750.8108 18.1209 18.2378 PRESSURE: 2832600 110.141 48.9349 39.667 48.935 -100.404 92.3763 39.6661 92.375 89.7273 GPRESSURE: 2832600 67.7906 4.6077 75.9999 21.7042 -25.9779 129.208 94.0628 79.225 147.566 PRESSAVG: 2832600 -73.306 2.25292 38.0934 2.25296 12.7075 -13.2847 38.0934 -13.2849 40.8241 GPRESSAVG: 2832600 -72.7754 1.19973 39.273 3.77767 13.7908 -10.3955 35.6392 -14.7341 39.346 TIMING: 2832600 CPU: 8208.91, 0.00289474/step Wall: 8208.91, 0.00289474/step, 1.7428 hours remaining, 209.000000 MB of memory in use. ENERGY: 2832600 740.1279 2155.8711 1933.6718 101.8671 -206013.8641 17846.6419 0.0000 0.0000 34291.9660 -148943.7183 299.4803 -183235.6843 -148846.5141 299.9895 33.1549 63.1263 557044.1640 -6.5915 -6.5462 PRESSURE: 2832800 -164.006 194.012 -51.9244 194.011 33.2792 -102.169 -51.9234 -102.167 47.0387 GPRESSURE: 2832800 -114.035 97.4461 -42.9156 183.522 94.1794 -103.857 -22.9364 -157.048 44.3588 PRESSAVG: 2832800 -64.884 40.1262 47.7432 40.1261 59.2729 33.5951 47.7432 33.595 28.254 GPRESSAVG: 2832800 -65.2086 40.696 46.8339 37.9766 59.5996 31.0298 48.2967 33.1515 29.333 TIMING: 2832800 CPU: 8209.49, 0.00287953/step Wall: 8209.49, 0.00287953/step, 1.73348 hours remaining, 209.000000 MB of memory in use. ENERGY: 2832800 721.8798 2100.8242 1916.5790 98.9072 -205989.9947 17616.9322 0.0000 0.0000 34452.9054 -149081.9668 300.8858 -183534.8722 -148988.9072 299.6159 -27.8961 8.1677 555454.4779 7.5476 7.9080 PRESSURE: 2833000 87.1464 114.06 -42.3524 114.06 -269.862 7.4374 -42.3529 7.43892 181.805 GPRESSURE: 2833000 118.745 66.7986 9.69648 48.2231 -214.558 38.876 -82.6341 -9.19349 193.833 PRESSAVG: 2833000 28.4826 35.162 16.2141 35.1619 -37.5247 11.3026 16.2141 11.3026 28.5576 GPRESSAVG: 2833000 29.6431 36.8339 17.4945 35.4205 -38.2652 12.171 16.8911 11.9924 28.1322 TIMING: 2833000 CPU: 8210.06, 0.00287615/step Wall: 8210.06, 0.00287615/step, 1.73128 hours remaining, 209.000000 MB of memory in use. ENERGY: 2833000 750.2283 2084.2728 1959.9939 119.5724 -205900.1271 17729.9863 0.0000 0.0000 34337.4031 -148918.6704 299.8771 -183256.0734 -148827.1730 300.0560 -0.3033 32.6730 556743.7674 6.5052 6.5034 PRESSURE: 2833200 -115.667 -164.32 62.8121 -164.318 -318.897 -15.8112 62.8106 -15.8116 -181.057 GPRESSURE: 2833200 -91.4217 -219.829 67.6797 -71.1843 -276.451 -24.7826 60.0425 -3.59063 -137.274 PRESSAVG: 2833200 9.21474 -4.67464 -8.42488 -4.67465 43.9028 -16.6357 -8.42495 -16.6358 -40.5372 GPRESSAVG: 2833200 9.61246 -5.94075 -7.17977 -4.10974 43.7037 -17.8542 -9.17247 -16.7737 -40.9504 TIMING: 2833200 CPU: 8210.64, 0.00289937/step Wall: 8210.64, 0.00289937/step, 1.7451 hours remaining, 209.000000 MB of memory in use. ENERGY: 2833200 725.7007 2071.3985 1963.2237 117.7840 -205490.5937 17464.8385 0.0000 0.0000 34299.8017 -148847.8466 299.5487 -183147.6483 -148750.2515 300.1656 -205.2068 -168.3821 558251.1378 4.1934 4.1219 PRESSURE: 2833400 -181.297 -41.3607 -158.064 -41.3597 -64.2493 -46.9861 -158.064 -46.9855 97.9363 GPRESSURE: 2833400 -137.414 -80.7135 -136.91 -9.91688 -63.3521 -54.4191 -118.712 -64.2265 144.987 PRESSAVG: 2833400 10.4222 13.0496 -1.73201 13.0496 13.6492 -48.7995 -1.73192 -48.7996 -15.6468 GPRESSAVG: 2833400 11.216 10.8956 -2.10728 13.6558 12.34 -47.4983 -0.814459 -47.5412 -14.7433 TIMING: 2833400 CPU: 8211.23, 0.00291097/step Wall: 8211.23, 0.00291097/step, 1.75192 hours remaining, 209.000000 MB of memory in use. ENERGY: 2833400 721.9162 2075.0031 1969.6241 116.7625 -206195.7551 17764.0400 0.0000 0.0000 34417.8491 -149130.5600 300.5796 -183548.4091 -149027.0204 299.3859 -49.2034 -18.5933 558400.6299 2.8082 2.9376 PRESSURE: 2833600 56.5194 -120.873 73.3799 -120.874 201.465 6.13118 73.3796 6.13104 223.255 GPRESSURE: 2833600 58.563 -98.3809 43.4128 -72.6839 262.694 -22.8485 70.4852 -83.381 257.282 PRESSAVG: 2833600 -4.11783 0.562715 -8.69345 0.562664 -28.9498 40.4593 -8.69349 40.4593 2.73956 GPRESSAVG: 2833600 -4.4462 2.89697 -9.58476 0.380448 -27.9955 39.6365 -8.32188 40.0194 1.88254 TIMING: 2833600 CPU: 8211.8, 0.00289519/step Wall: 8211.8, 0.00289519/step, 1.74226 hours remaining, 209.000000 MB of memory in use. ENERGY: 2833600 758.8117 2060.5297 1959.2787 116.5936 -206249.2930 17960.6158 0.0000 0.0000 34314.6001 -149078.8633 299.6779 -183393.4635 -148987.6130 298.8893 160.4132 192.8463 556834.8850 -10.1094 -10.1864 PRESSURE: 2833800 -99.9168 84.0026 -75.2046 84.0039 -169.438 -13.8305 -75.203 -13.8296 -340.803 GPRESSURE: 2833800 -99.3479 47.7547 19.5328 69.4779 -122.34 -38.7352 -133.826 100.992 -298.442 PRESSAVG: 2833800 -67.1453 -39.4878 20.6844 -39.4878 7.89574 -29.5328 20.6845 -29.5328 63.1122 GPRESSAVG: 2833800 -67.2258 -38.4079 21.1817 -41.3854 7.78084 -29.7677 21.5624 -28.5254 63.2188 TIMING: 2833800 CPU: 8212.38, 0.00288668/step Wall: 8212.38, 0.00288668/step, 1.73698 hours remaining, 209.000000 MB of memory in use. ENERGY: 2833800 749.4205 2071.9476 1935.6890 115.9842 -205834.8218 17512.6319 0.0000 0.0000 34399.7589 -149049.3895 300.4217 -183449.1484 -148951.7494 300.4857 -203.3859 -173.3765 558274.8876 1.2876 1.2580 PRESSURE: 2834000 -124.178 22.6478 -85.7569 22.6475 -74.4535 84.683 -85.7578 84.6831 121.778 GPRESSURE: 2834000 -126.857 2.53874 -142.495 26.1171 -19.1485 44.3116 -47.656 60.3556 158.533 PRESSAVG: 2834000 42.7888 -0.888911 -7.49309 -0.88892 -32.7096 -15.7316 -7.493 -15.7317 46.1766 GPRESSAVG: 2834000 42.2188 -0.822613 -7.46239 -1.68791 -31.3299 -16.1712 -8.06992 -16.4669 45.8703 TIMING: 2834000 CPU: 8212.96, 0.00290397/step Wall: 8212.96, 0.00290397/step, 1.74722 hours remaining, 209.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2834000 740.9496 2075.1299 1966.4357 111.7776 -206413.2549 17807.8679 0.0000 0.0000 34518.7445 -149192.3497 301.4608 -183711.0942 -149091.6396 300.3588 -25.6177 4.1759 558211.2396 18.7520 18.9198 PRESSURE: 2834200 -53.4625 -219.283 -224.816 -219.283 -70.99 119.016 -224.818 119.016 -14.1445 GPRESSURE: 2834200 -17.7702 -251.409 -212.265 -149.364 -41.049 115.526 -145.753 217.583 17.5797 PRESSAVG: 2834200 22.8307 -67.2815 -7.06748 -67.2815 -67.219 -22.9182 -7.06741 -22.9182 5.52464 GPRESSAVG: 2834200 22.5289 -67.3422 -5.72202 -65.8929 -68.4985 -22.3814 -8.18072 -23.2337 7.20063 TIMING: 2834200 CPU: 8213.55, 0.00291214/step Wall: 8213.55, 0.00291214/step, 1.75197 hours remaining, 209.000000 MB of memory in use. ENERGY: 2834200 755.6569 2047.4237 1937.6099 119.9544 -206202.1816 17889.9125 0.0000 0.0000 34150.8392 -149300.7849 298.2478 -183451.6241 -149204.4731 299.6164 -46.1990 -13.7465 559444.3674 -12.9546 -12.9230 PRESSURE: 2834400 -149.198 20.9481 -15.5857 20.9477 -203.073 55.2788 -15.5863 55.2791 -21.6485 GPRESSURE: 2834400 -139.732 34.1998 -46.0748 44.4968 -232.504 62.2734 -149.681 -16.6125 96.0617 PRESSAVG: 2834400 -16.1203 30.6564 -41.2585 30.6564 1.56393 -27.724 -41.2586 -27.7238 -19.8652 GPRESSAVG: 2834400 -16.6011 32.3947 -40.7463 27.8141 3.12405 -27.5925 -41.7954 -29.21 -21.0338 TIMING: 2834400 CPU: 8214.12, 0.00287591/step Wall: 8214.12, 0.00287591/step, 1.73002 hours remaining, 209.000000 MB of memory in use. ENERGY: 2834400 746.1789 2067.1165 1946.9491 102.5866 -205824.5899 17490.0799 0.0000 0.0000 34331.5790 -149140.1000 299.8262 -183471.6789 -149045.0515 299.3851 -124.6400 -92.0581 557741.0880 -11.4739 -11.5036 PRESSURE: 2834600 -84.1703 -127.515 85.8439 -127.517 -194.595 -245.306 85.8446 -245.305 -321.431 GPRESSURE: 2834600 -59.4885 -165.981 168.877 -97.0635 -159.046 -146.991 -32.6023 -277.009 -281.631 PRESSAVG: 2834600 10.359 33.2617 -32.1861 33.2617 33.3358 2.7294 -32.186 2.72931 12.5835 GPRESSAVG: 2834600 11.0691 31.1918 -32.4633 35.3527 32.3881 3.44069 -33.0408 3.29336 13.1796 TIMING: 2834600 CPU: 8214.7, 0.0028895/step Wall: 8214.7, 0.0028895/step, 1.73804 hours remaining, 209.203125 MB of memory in use. ENERGY: 2834600 819.4068 2093.7982 1958.4525 99.8370 -205653.9362 17397.1416 0.0000 0.0000 34258.6566 -149026.6434 299.1894 -183285.3000 -148930.1805 299.0358 -200.0652 -166.7217 557819.6492 18.7594 18.8789 PRESSURE: 2834800 56.7231 12.6685 -69.1045 12.6697 64.5265 -58.4753 -69.1048 -58.4763 -108.566 GPRESSURE: 2834800 118.381 -23.0203 -21.7305 33.9153 112.796 -44.4121 -89.5329 -82.3817 -121.313 PRESSAVG: 2834800 -14.5882 2.61288 -25.2825 2.61292 29.9183 -45.9033 -25.2825 -45.9032 -43.775 GPRESSAVG: 2834800 -13.6058 1.01378 -27.1314 4.32672 29.8416 -46.1231 -22.4236 -43.6238 -44.3202 TIMING: 2834800 CPU: 8215.28, 0.00289935/step Wall: 8215.28, 0.00289935/step, 1.7438 hours remaining, 209.203125 MB of memory in use. ENERGY: 2834800 736.8029 2102.9933 1987.4742 109.7007 -206313.4292 17735.1924 0.0000 0.0000 34391.6562 -149249.6096 300.3509 -183641.2658 -149147.0059 299.9777 4.2278 36.6211 557618.6219 -9.4816 -9.3615 PRESSURE: 2835000 125.574 -92.1231 131.6 -92.1231 10.9 -70.3363 131.6 -70.3359 -219.912 GPRESSURE: 2835000 134.499 -22.7442 169.975 -141.395 17.1268 -17.4672 191.658 -73.7574 -144.138 PRESSAVG: 2835000 43.4695 25.42 -4.10358 25.4201 23.3961 -26.9791 -4.10349 -26.9791 -100.969 GPRESSAVG: 2835000 42.6421 26.6954 -3.89712 22.6052 23.0928 -26.8632 -4.91091 -27.8742 -99.4844 TIMING: 2835000 CPU: 8215.86, 0.00288528/step Wall: 8215.86, 0.00288528/step, 1.73518 hours remaining, 209.203125 MB of memory in use. ENERGY: 2835000 746.2990 2109.3200 1948.9293 106.7179 -206279.5453 17777.5365 0.0000 0.0000 34268.0436 -149322.6989 299.2713 -183590.7425 -149217.7820 299.2107 -27.8125 2.4957 556395.3940 -11.3678 -11.2498 PRESSURE: 2835200 11.0792 139.158 91.9441 139.158 118.896 -122.308 91.9437 -122.307 -183.248 GPRESSURE: 2835200 34.5775 185.884 82.1944 66.0492 123.065 -127.337 159.339 -193.221 -126.63 PRESSAVG: 2835200 36.3594 -30.1801 44.4566 -30.1802 45.4524 -60.5399 44.4566 -60.5399 -21.1956 GPRESSAVG: 2835200 36.0534 -29.1181 44.1784 -29.2636 45.1036 -59.8819 46.1105 -62.6101 -20.7359 TIMING: 2835200 CPU: 8216.43, 0.0028857/step Wall: 8216.43, 0.0028857/step, 1.73527 hours remaining, 209.203125 MB of memory in use. ENERGY: 2835200 769.7964 2125.0936 1947.6855 112.5415 -206422.7261 17812.4377 0.0000 0.0000 34321.5003 -149333.6711 299.7382 -183655.1714 -149228.0124 298.8980 -17.7575 10.3375 556539.5363 20.2054 20.1404 PRESSURE: 2835400 -48.0469 69.6952 137.22 69.6955 149.094 -130.159 137.221 -130.159 -36.9146 GPRESSURE: 2835400 -39.8488 96.326 141.105 122.528 153.271 -180.548 172.55 -173.208 52.0509 PRESSAVG: 2835400 8.38918 22.3233 36.9689 22.3234 17.6052 -34.9672 36.9689 -34.9671 -45.071 GPRESSAVG: 2835400 7.82019 24.5055 37.3621 19.8948 19.4776 -36.1045 34.0492 -33.0582 -47.0868 TIMING: 2835400 CPU: 8217.01, 0.00288235/step Wall: 8217.01, 0.00288235/step, 1.73309 hours remaining, 209.203125 MB of memory in use. ENERGY: 2835400 747.1926 2121.4329 1942.2176 96.6833 -206049.6988 17773.9162 0.0000 0.0000 34134.1429 -149234.1134 298.1020 -183368.2563 -149141.9272 298.7831 21.3774 55.1577 556478.9243 -6.3589 -6.5963 PRESSURE: 2835600 -354.904 -251.777 -94.7566 -251.777 204.291 -79.6865 -94.757 -79.6856 -202.005 GPRESSURE: 2835600 -300.531 -253.47 -88.2171 -297.98 229.083 -108.755 8.31986 -27.1763 -186.475 PRESSAVG: 2835600 -20.2532 9.61583 -19.4141 9.61586 -14.4439 -39.8676 -19.4141 -39.8677 47.0233 GPRESSAVG: 2835600 -19.4568 8.54159 -19.1419 10.5432 -15.8768 -40.0619 -18.6454 -39.8483 47.3588 TIMING: 2835600 CPU: 8217.59, 0.00288631/step Wall: 8217.59, 0.00288632/step, 1.73532 hours remaining, 209.203125 MB of memory in use. ENERGY: 2835600 733.9739 2043.0403 1963.7665 102.5509 -205977.9777 17593.3049 0.0000 0.0000 34336.8898 -149204.4515 299.8726 -183541.3413 -149108.6366 300.1083 -117.5390 -85.9741 557098.5987 4.1087 4.0084 PRESSURE: 2835800 68.458 89.8379 -2.89708 89.8371 275.317 6.31453 -2.89722 6.31434 -62.7637 GPRESSURE: 2835800 106.247 115.506 13.4096 94.2166 274.563 25.7315 -74.1866 70.8741 1.42863 PRESSAVG: 2835800 -9.90188 28.5275 -25.9252 28.5274 10.6767 -19.84 -25.9252 -19.84 7.26778 GPRESSAVG: 2835800 -10.2454 27.5827 -25.5454 30.2541 10.6584 -18.9655 -29.133 -19.912 7.71396 TIMING: 2835800 CPU: 8218.16, 0.00288414/step Wall: 8218.16, 0.00288414/step, 1.73385 hours remaining, 209.203125 MB of memory in use. ENERGY: 2835800 725.7290 2070.2555 1946.1913 104.6635 -206316.7148 17801.8459 0.0000 0.0000 34300.3209 -149367.7086 299.5532 -183668.0294 -149264.9722 299.3234 93.6705 127.4130 556507.5682 2.6809 2.7090 PRESSURE: 2836000 96.7594 -60.8917 93.5312 -60.8919 72.387 -58.0899 93.5319 -58.0912 257.222 GPRESSURE: 2836000 188.413 -10.1791 23.587 -70.2926 34.2978 12.793 97.7506 -45.2397 323.007 PRESSAVG: 2836000 -34.1813 14.3941 52.1758 14.3941 39.9864 7.33173 52.1759 7.33174 -44.6535 GPRESSAVG: 2836000 -33.4555 13.5776 50.8966 14.8576 38.4155 7.33333 53.9 5.80121 -43.506 TIMING: 2836000 CPU: 8218.74, 0.00287487/step Wall: 8218.74, 0.00287487/step, 1.72811 hours remaining, 209.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2836000 747.9180 2087.9539 1945.4951 107.4949 -206194.7904 17908.6805 0.0000 0.0000 34144.6531 -149252.5950 298.1937 -183397.2481 -149159.8707 298.9027 142.1230 181.9061 555858.0570 -12.9495 -12.8487 PRESSURE: 2836200 -187.14 -47.8293 -21.6212 -47.8296 -279.798 -115.121 -21.6221 -115.12 -159.572 GPRESSURE: 2836200 -214.391 -77.2617 -70.1317 -75.4661 -220.082 -133.719 -14.2591 -13.0332 -96.3124 PRESSAVG: 2836200 -7.12477 -35.3608 14.6247 -35.3609 39.2908 32.0347 14.6247 32.0345 -20.8919 GPRESSAVG: 2836200 -6.3538 -35.4962 14.4705 -36.2699 39.9007 32.962 14.8008 33.9547 -22.1643 TIMING: 2836200 CPU: 8219.32, 0.00291182/step Wall: 8219.32, 0.00291182/step, 1.75017 hours remaining, 209.203125 MB of memory in use. ENERGY: 2836200 748.0155 2115.8873 1950.5298 120.1641 -205907.3104 17479.5873 0.0000 0.0000 34265.0735 -149228.0528 299.2454 -183493.1263 -149126.7148 299.6461 -208.8365 -176.9286 557470.4907 3.7580 3.7942 LDB: ============= START OF LOAD BALANCING ============== 8222.71 LDB: ============== END OF LOAD BALANCING =============== 8222.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8222.71 LDB: ============= START OF LOAD BALANCING ============== 8223 LDB: Largest compute 4820 load 0.024303 is 20.6% of average load 0.117907 LDB: Average compute 0.001745 is 1.5% of average load 0.117907 LDB: TIME 8223 LOAD: AVG 0.117907 MAX 0.180363 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.734 MB LDB: TIME 8223 LOAD: AVG 0.117907 MAX 0.180363 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.977 MB LDB: TIME 8223 LOAD: AVG 0.117907 MAX 0.180363 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8223 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8223.01 PRESSURE: 2836400 149.726 -72.2105 -103.674 -72.2112 138.644 135.73 -103.675 135.731 148.007 GPRESSURE: 2836400 196.305 -104.321 -167.339 -78.4096 135.624 166.057 -8.65261 59.1536 207.359 PRESSAVG: 2836400 -43.6494 -22.0741 -29.6306 -22.0742 20.5636 28.902 -29.6306 28.9019 5.61242 GPRESSAVG: 2836400 -45.3343 -20.5895 -29.7876 -23.4085 20.9409 25.1363 -28.9825 29.4402 6.59989 TIMING: 2836400 CPU: 8219.91, 0.00295269/step Wall: 8219.91, 0.00295269/step, 1.77457 hours remaining, 208.746094 MB of memory in use. ENERGY: 2836400 741.9493 2126.2396 1942.4420 108.9127 -206490.1254 18180.4227 0.0000 0.0000 34283.1216 -149107.0375 299.4030 -183390.1591 -149003.8822 299.8164 145.4592 179.7627 558057.4376 -5.8245 -5.9312 PRESSURE: 2836600 -15.175 -72.0537 8.6402 -72.052 126.015 212.061 8.63858 212.062 -29.2107 GPRESSURE: 2836600 17.7793 -84.7236 -12.3058 -32.2886 156.112 197.004 -5.65406 190.149 0.0912841 PRESSAVG: 2836600 56.2026 -26.6562 -32.9903 -26.6562 -6.61502 46.7283 -32.9903 46.7282 -34.964 GPRESSAVG: 2836600 57.5364 -27.7949 -33.8538 -26.0046 -7.13981 48.2953 -32.1645 43.1699 -35.7228 TIMING: 2836600 CPU: 8220.49, 0.00289464/step Wall: 8220.49, 0.00289464/step, 1.73952 hours remaining, 209.003906 MB of memory in use. ENERGY: 2836600 715.7399 2062.6817 1974.4172 115.3905 -206319.1514 18076.4397 0.0000 0.0000 34337.6246 -149036.8578 299.8790 -183374.4824 -148942.2644 299.3838 27.2099 57.9941 559850.1660 4.8745 4.8912 PRESSURE: 2836800 -95.3763 70.755 88.6631 70.7537 -202.628 88.6875 88.6638 88.6873 -193.464 GPRESSURE: 2836800 -80.6282 73.9918 38.7409 103.265 -121.742 173.522 79.5714 31.0467 -196.495 PRESSAVG: 2836800 28.7507 30.4475 -46.3694 30.4475 -51.0694 63.2231 -46.3695 63.223 7.83307 GPRESSAVG: 2836800 28.0614 32.6137 -45.5965 30.7947 -50.0391 61.3773 -45.5548 65.6541 7.68299 TIMING: 2836800 CPU: 8221.07, 0.00290415/step Wall: 8221.07, 0.00290415/step, 1.74507 hours remaining, 209.003906 MB of memory in use. ENERGY: 2836800 786.5446 2122.3916 1963.7274 102.6110 -205953.0660 17664.6430 0.0000 0.0000 34354.6293 -148958.5192 300.0275 -183313.1485 -148859.2916 299.9925 -163.8225 -132.9551 558263.2086 -4.8285 -4.7649 PRESSURE: 2837000 -241.116 20.0717 118.204 20.072 125.694 -71.0585 118.202 -71.0596 -53.6573 GPRESSURE: 2837000 -174.379 -8.89429 76.5485 -3.92257 136.311 -112.157 116.11 -7.34114 -24.0298 PRESSAVG: 2837000 24.4813 24.6604 4.47178 24.6604 49.721 -17.0692 4.47179 -17.0691 -47.0773 GPRESSAVG: 2837000 24.475 21.0155 4.29528 24.4631 47.3834 -17.2459 3.89434 -15.5087 -44.7361 TIMING: 2837000 CPU: 8221.65, 0.0028929/step Wall: 8221.65, 0.0028929/step, 1.73815 hours remaining, 209.003906 MB of memory in use. ENERGY: 2837000 732.7746 2068.2468 1971.6104 128.5044 -205943.3765 17686.7113 0.0000 0.0000 34519.0410 -148836.4879 301.4634 -183355.5289 -148740.1121 300.2752 -56.3597 -20.6993 559364.5496 9.0417 9.0408 PRESSURE: 2837200 51.2562 123.462 -71.4526 123.464 -13.014 -5.71918 -71.4519 -5.7189 121.254 GPRESSURE: 2837200 130.688 177.105 -113.509 56.4712 30.352 -39.2511 -40.6471 4.35015 101.628 PRESSAVG: 2837200 1.47748 26.0948 48.766 26.0948 35.7291 -37.152 48.766 -37.1521 -5.187 GPRESSAVG: 2837200 2.00898 26.4741 48.673 25.4879 37.9478 -34.4383 49.1537 -37.5707 -7.55366 TIMING: 2837200 CPU: 8222.23, 0.00288923/step Wall: 8222.23, 0.00288923/step, 1.73579 hours remaining, 209.074219 MB of memory in use. ENERGY: 2837200 743.8235 2091.4308 1960.0865 117.1134 -205869.9465 17901.9550 0.0000 0.0000 34188.5138 -148867.0234 298.5768 -183055.5372 -148772.4531 300.0163 53.1655 87.5559 558044.1086 10.6732 10.8010 PRESSURE: 2837400 348.075 47.2591 11.0777 47.2594 -132.945 8.65401 11.0777 8.65433 95.874 GPRESSURE: 2837400 353.92 -0.389518 26.4659 22.2382 -101.738 3.01978 123.35 66.9093 144.647 PRESSAVG: 2837400 19.8798 -20.7145 -8.60515 -20.7144 12.3354 8.07082 -8.60518 8.07085 -10.2578 GPRESSAVG: 2837400 18.5559 -19.7238 -8.564 -20.4243 13.0337 6.76834 -9.48344 7.36879 -9.34883 TIMING: 2837400 CPU: 8222.8, 0.0028854/step Wall: 8222.8, 0.0028854/step, 1.73332 hours remaining, 209.074219 MB of memory in use. ENERGY: 2837400 738.5468 2037.4876 1974.8951 108.7780 -206118.1033 17842.8161 0.0000 0.0000 34434.2239 -148981.3558 300.7226 -183415.5797 -148870.7576 299.1656 103.6681 132.2764 557890.6075 7.3191 7.4136 PRESSURE: 2837600 -242.157 -23.0849 70.2407 -23.0829 -205.065 -88.3271 70.2403 -88.3301 -367.211 GPRESSURE: 2837600 -253.493 60.4181 17.3081 -54.2858 -164.266 -79.7152 133.351 -92.8028 -297.714 PRESSAVG: 2837600 31.8671 59.7667 -7.57564 59.7667 -28.219 -7.54549 -7.57559 -7.54557 -0.927973 GPRESSAVG: 2837600 33.0997 61.0167 -6.95821 61.3764 -29.1397 -8.58927 -7.82684 -7.79324 -1.44284 TIMING: 2837600 CPU: 8223.38, 0.00289357/step Wall: 8223.38, 0.00289357/step, 1.73807 hours remaining, 209.074219 MB of memory in use. ENERGY: 2837600 756.5770 2058.7039 1964.9216 115.6620 -205734.8279 17442.5965 0.0000 0.0000 34439.9833 -148956.3838 300.7729 -183396.3671 -148860.5130 300.0081 -271.4776 -238.4907 558958.5785 0.9067 0.8391 PRESSURE: 2837800 75.3041 19.7865 -93.1535 19.7867 47.8395 98.6723 -93.154 98.6722 24.9094 GPRESSURE: 2837800 127.949 -7.83922 -79.5901 29.7185 31.8389 110.943 -8.65985 56.8977 72.0772 PRESSAVG: 2837800 -8.72756 30.5431 -21.8264 30.5431 -1.49202 5.34842 -21.8264 5.34846 -6.53471 GPRESSAVG: 2837800 -8.35835 30.3728 -22.0653 29.8574 -1.04532 5.94179 -21.8275 6.68034 -7.00363 TIMING: 2837800 CPU: 8223.96, 0.00287925/step Wall: 8223.96, 0.00287925/step, 1.72931 hours remaining, 209.074219 MB of memory in use. ENERGY: 2837800 762.8012 2087.4155 1967.8452 117.0017 -206072.4301 17845.6367 0.0000 0.0000 34248.2103 -149043.5194 299.0981 -183291.7297 -148952.5467 299.8318 49.3510 77.2883 558438.3930 -5.5848 -5.4691 PRESSURE: 2838000 218.998 43.8177 -166.747 43.8182 -99.3434 -155.099 -166.747 -155.098 92.9058 GPRESSURE: 2838000 289.659 20.2426 -156.799 -8.58741 -89.0707 -123.195 -227.171 -130.265 102.169 PRESSAVG: 2838000 49.0971 12.6634 14.5515 12.6634 -39.0256 6.4782 14.5515 6.47828 16.4916 GPRESSAVG: 2838000 49.0428 11.8413 13.284 11.5514 -40.1942 7.28497 16.3251 6.52029 17.8743 TIMING: 2838000 CPU: 8224.54, 0.0028935/step Wall: 8224.54, 0.0028935/step, 1.73771 hours remaining, 209.074219 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: 2838000 738.3961 2065.3141 1987.6773 105.6160 -206475.4120 18050.8628 0.0000 0.0000 34452.8424 -149074.7033 300.8852 -183527.5457 -148976.3932 299.9399 70.8533 100.9191 557724.3180 8.8544 8.9076 PRESSURE: 2838200 10.4559 -16.7761 35.2682 -16.7772 27.9468 111.267 35.2675 111.265 17.0374 GPRESSURE: 2838200 38.5754 -58.7507 31.4493 27.2815 80.1552 83.1179 9.84061 74.7539 34.2284 PRESSAVG: 2838200 14.1579 10.1941 -8.55669 10.1939 -5.89048 -32.204 -8.5567 -32.2041 13.9518 GPRESSAVG: 2838200 13.7179 10.771 -8.39555 10.5498 -5.24132 -32.0581 -9.09267 -33.9273 14.2518 TIMING: 2838200 CPU: 8225.12, 0.00291241/step Wall: 8225.12, 0.00291241/step, 1.7489 hours remaining, 209.074219 MB of memory in use. ENERGY: 2838200 735.1465 2091.2869 1951.3502 111.5812 -206261.3039 17874.0879 0.0000 0.0000 34491.2666 -149006.5845 301.2208 -183497.8511 -148911.9287 299.4024 18.4801 50.9863 556497.4687 7.4064 7.5761 PRESSURE: 2838400 2.67651 11.1146 -184.297 11.1154 -98.5414 -98.1517 -184.297 -98.152 16.214 GPRESSURE: 2838400 37.4766 154.331 -208.213 32.628 -43.2686 -128.058 -113.314 -64.3486 30.1185 PRESSAVG: 2838400 -22.5139 -21.0168 -26.6654 -21.0168 -20.3876 -30.7575 -26.6654 -30.7574 47.4773 GPRESSAVG: 2838400 -23.069 -22.8565 -26.0026 -20.7968 -19.1181 -31.9367 -27.2013 -29.4718 46.9015 TIMING: 2838400 CPU: 8225.7, 0.00288539/step Wall: 8225.7, 0.00288539/step, 1.73251 hours remaining, 209.074219 MB of memory in use. ENERGY: 2838400 741.3287 2125.0032 1962.5100 117.8977 -206082.2910 17711.0390 0.0000 0.0000 34105.3199 -149319.1925 297.8502 -183424.5124 -149224.9893 299.3007 -26.5503 8.1088 559006.9640 1.5252 1.5715 PRESSURE: 2838600 -308.471 0.6185 141.216 0.617515 -53.9187 57.1057 141.216 57.1051 -81.2884 GPRESSURE: 2838600 -274.868 -38.8103 174.187 13.3184 7.0478 -8.74888 132.752 53.7832 -77.1161 PRESSAVG: 2838600 -16.7782 11.8137 -8.56577 11.8138 29.6539 -2.20182 -8.56581 -2.20182 40.1308 GPRESSAVG: 2838600 -15.6827 13.8388 -8.24284 12.6569 29.4315 -0.73255 -8.90745 -3.45122 38.9514 TIMING: 2838600 CPU: 8226.28, 0.00289337/step Wall: 8226.28, 0.00289337/step, 1.73715 hours remaining, 209.074219 MB of memory in use. ENERGY: 2838600 765.6056 2029.0677 1951.4865 118.8437 -206218.9307 17855.4638 0.0000 0.0000 34149.4782 -149348.9853 298.2359 -183498.4635 -149254.2566 298.6594 -147.8928 -114.9788 559482.3394 17.6688 17.5667 PRESSURE: 2838800 -132.736 88.0872 11.4637 88.0859 23.5458 -74.7593 11.4631 -74.7614 -143.657 GPRESSURE: 2838800 -60.0527 90.8572 33.6243 39.5604 63.628 -72.5361 9.54293 -85.6438 -157.574 PRESSAVG: 2838800 -16.41 40.0227 21.5426 40.0226 -44.2574 6.87988 21.5428 6.87976 67.4253 GPRESSAVG: 2838800 -16.8242 40.1418 21.7115 39.9411 -45.6791 6.92584 21.4416 5.7529 69.3421 TIMING: 2838800 CPU: 8226.85, 0.0028836/step Wall: 8226.85, 0.0028836/step, 1.73112 hours remaining, 209.074219 MB of memory in use. ENERGY: 2838800 731.8559 2066.0789 1943.8388 116.6726 -206480.9287 17928.2571 0.0000 0.0000 34252.4680 -149441.7576 299.1353 -183694.2256 -149348.5944 298.2706 -84.2824 -51.3329 558571.3463 2.2527 2.2796 PRESSURE: 2839000 233.578 218.845 11.9217 218.846 -42.2618 -84.246 11.9204 -84.245 -35.3265 GPRESSURE: 2839000 278.893 241.812 114.91 192.034 -53.7827 0.786996 -106.005 -68.315 40.1892 PRESSAVG: 2839000 -16.0588 45.3164 14.7524 45.3164 -38.2017 -44.5539 14.7524 -44.554 -10.3717 GPRESSAVG: 2839000 -17.4758 45.3075 15.7422 43.8667 -37.147 -44.7582 13.1136 -43.4177 -10.4928 TIMING: 2839000 CPU: 8227.43, 0.00290643/step Wall: 8227.43, 0.00290643/step, 1.74466 hours remaining, 209.074219 MB of memory in use. ENERGY: 2839000 701.8378 2080.8479 1972.9262 106.0826 -206551.0636 18146.3255 0.0000 0.0000 34260.3002 -149282.7435 299.2037 -183543.0437 -149183.2185 298.8313 51.9966 88.4330 558812.7574 -21.5441 -21.7052 PRESSURE: 2839200 -143.394 -8.82447 -99.2068 -8.82605 42.0746 11.917 -99.2055 11.9158 -224.001 GPRESSURE: 2839200 -128.312 -64.8829 -65.989 43.3913 107.039 -11.7578 -144.665 5.57851 -203.818 PRESSAVG: 2839200 -27.2106 -1.16022 -86.3958 -1.16013 49.076 -35.2306 -86.3957 -35.2307 -35.7994 GPRESSAVG: 2839200 -26.4549 -1.52592 -85.8713 -0.135291 48.198 -34.6077 -84.0721 -35.8778 -35.4602 TIMING: 2839200 CPU: 8228.01, 0.00289538/step Wall: 8228.01, 0.00289538/step, 1.73787 hours remaining, 209.074219 MB of memory in use. ENERGY: 2839200 800.8229 2075.9385 1958.1003 114.7579 -205884.7713 17733.8505 0.0000 0.0000 34059.9466 -149141.3546 297.4540 -183201.3012 -149037.2744 298.9110 -108.4400 -75.0301 558137.7954 -4.6446 -4.5724 PRESSURE: 2839400 -349.474 57.229 -96.8334 57.2276 -232.314 -64.2344 -96.832 -64.2328 -369.376 GPRESSURE: 2839400 -298.46 56.0116 -115.225 47.1239 -192.439 -64.6487 -129.227 -76.4903 -379.111 PRESSAVG: 2839400 -12.8862 27.6889 -34.9223 27.6889 -4.29466 0.758568 -34.9224 0.758619 29.8632 GPRESSAVG: 2839400 -13.4144 27.9676 -36.4361 27.2445 -4.83208 0.969916 -36.1109 1.66332 30.9973 TIMING: 2839400 CPU: 8228.59, 0.00288184/step Wall: 8228.59, 0.00288184/step, 1.72958 hours remaining, 209.074219 MB of memory in use. ENERGY: 2839400 745.8956 2142.5841 1983.8380 110.6084 -205494.6012 17189.3166 0.0000 0.0000 34162.8200 -149159.5386 298.3524 -183322.3586 -149061.7197 299.3289 -317.0544 -290.0035 558027.0800 4.2274 4.2503 PRESSURE: 2839600 -23.9473 198.979 111.871 198.979 44.0544 -92.9555 111.87 -92.9562 -75.1143 GPRESSURE: 2839600 -36.7984 177.954 26.2455 267.542 92.0757 1.94427 135.171 -116.79 -13.2482 PRESSAVG: 2839600 7.28551 -16.583 -80.4154 -16.5829 -25.6875 -39.0923 -80.4154 -39.0922 -4.82539 GPRESSAVG: 2839600 8.30699 -18.5629 -81.6597 -16.5882 -24.67 -40.158 -77.2226 -38.5954 -6.38432 TIMING: 2839600 CPU: 8229.17, 0.0028975/step Wall: 8229.17, 0.0028975/step, 1.73882 hours remaining, 209.074219 MB of memory in use. ENERGY: 2839600 737.8653 2045.6043 1941.0315 103.6831 -206025.2314 17850.5292 0.0000 0.0000 34267.4243 -149079.0937 299.2659 -183346.5180 -148980.5545 299.7606 -18.3357 14.0097 558483.3272 -7.7425 -7.5824 PRESSURE: 2839800 8.57523 -167.561 25.2959 -167.561 -183.501 -149.471 25.2953 -149.473 -5.08736 GPRESSURE: 2839800 32.4741 -134.223 24.5702 -131.981 -162.016 -189.589 22.6982 -149.249 41.2228 PRESSAVG: 2839800 -85.2443 -41.6181 19.2101 -41.6183 4.80205 -58.1476 19.21 -58.1477 73.0486 GPRESSAVG: 2839800 -85.2628 -39.3399 21.4158 -43.0957 3.97507 -56.113 15.5158 -59.0826 73.4224 TIMING: 2839800 CPU: 8229.75, 0.0028835/step Wall: 8229.75, 0.0028835/step, 1.73026 hours remaining, 209.074219 MB of memory in use. ENERGY: 2839800 734.6132 2110.2711 1953.7683 110.8466 -206141.2712 17821.0789 0.0000 0.0000 34429.8528 -148980.8402 300.6845 -183410.6931 -148886.2464 299.5481 -60.0044 -29.4399 558389.8105 -2.4646 -2.6218 PRESSURE: 2840000 -24.4806 203 4.91595 203.001 10.3899 -67.5185 4.91521 -67.5207 100.183 GPRESSURE: 2840000 28.5183 136.143 75.5368 263.093 30.4841 -101.101 -66.7052 -112.722 127.016 PRESSAVG: 2840000 -40.0753 10.9527 -26.8602 10.9527 -27.8828 -33.0961 -26.8602 -33.0962 61.0633 GPRESSAVG: 2840000 -39.1025 9.0248 -28.5327 13.5669 -27.8383 -33.8415 -25.0811 -34.0001 60.4954 TIMING: 2840000 CPU: 8230.32, 0.00287882/step Wall: 8230.32, 0.00287882/step, 1.72729 hours remaining, 209.074219 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: 2840000 750.9854 2144.5115 1943.9513 113.3842 -206134.8280 17945.5786 0.0000 0.0000 34124.7917 -149111.6253 298.0203 -183236.4170 -149021.9708 299.1273 28.6976 62.0060 558352.6774 -2.2983 -2.1485 PRESSURE: 2840200 354.35 38.9071 45.138 38.9072 126.217 30.8137 45.1367 30.8142 189.785 GPRESSURE: 2840200 297.174 -33.8558 37.3189 -12.2316 200.215 69.7005 55.8881 43.4506 267.183 PRESSAVG: 2840200 8.32087 13.0632 -16.6573 13.0633 -29.0529 -14.2076 -16.6573 -14.2077 -1.24549 GPRESSAVG: 2840200 8.0477 13.9921 -15.5592 11.9635 -29.1428 -14.6661 -16.4465 -12.6675 -0.948289 TIMING: 2840200 CPU: 8230.9, 0.00288469/step Wall: 8230.9, 0.00288468/step, 1.73065 hours remaining, 209.074219 MB of memory in use. ENERGY: 2840200 756.8962 2081.6977 1926.2861 117.2545 -206567.1567 18243.6583 0.0000 0.0000 34376.8227 -149064.5412 300.2213 -183441.3639 -148970.7957 299.4284 223.4507 254.8573 557847.8503 -7.3258 -7.3478 LDB: ============= START OF LOAD BALANCING ============== 8234.28 LDB: ============== END OF LOAD BALANCING =============== 8234.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8234.28 LDB: ============= START OF LOAD BALANCING ============== 8234.57 LDB: Largest compute 4801 load 0.023191 is 19.7% of average load 0.117980 LDB: Average compute 0.001745 is 1.5% of average load 0.117980 LDB: TIME 8234.57 LOAD: AVG 0.11798 MAX 0.178312 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.965 MB LDB: TIME 8234.57 LOAD: AVG 0.11798 MAX 0.178312 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.965 MB LDB: TIME 8234.57 LOAD: AVG 0.11798 MAX 0.178312 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.965 MB LDB: ============== END OF LOAD BALANCING =============== 8234.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8234.58 PRESSURE: 2840400 -47.6964 14.45 -88.6417 14.4491 154.71 43.7044 -88.6424 43.7037 -223.268 GPRESSURE: 2840400 -5.53693 -25.9467 -29.2506 -45.4756 137.512 -37.1561 -66.1738 151.373 -149.896 PRESSAVG: 2840400 9.63625 -29.6451 13.3215 -29.6451 -6.92379 62.9309 13.3215 62.9309 -12.5736 GPRESSAVG: 2840400 7.84662 -30.1495 12.6478 -30.836 -5.60348 63.1377 13.0997 62.4354 -11.8457 TIMING: 2840400 CPU: 8231.48, 0.00292697/step Wall: 8231.48, 0.00292697/step, 1.75586 hours remaining, 208.746094 MB of memory in use. ENERGY: 2840400 731.2546 2078.6440 1949.4930 103.9197 -205904.8398 17640.0092 0.0000 0.0000 34441.2827 -148960.2367 300.7843 -183401.5194 -148863.0878 299.1975 -38.7517 -5.9734 558530.1320 -3.2870 -3.2008 PRESSURE: 2840600 227.233 -71.8874 -191.77 -71.8874 44.8161 -18.9466 -191.769 -18.9484 -73.7725 GPRESSURE: 2840600 264.164 -83.3724 -266.579 -107.646 80.8511 -19.8315 -168.505 -63.1517 -52.8152 PRESSAVG: 2840600 32.1907 -71.8955 -29.5063 -71.8954 4.63955 -25.0999 -29.5064 -25.0998 -13.8474 GPRESSAVG: 2840600 34.0944 -71.347 -28.6423 -71.7682 4.40171 -26.078 -29.5826 -25.2379 -15.4552 TIMING: 2840600 CPU: 8232.06, 0.00288823/step Wall: 8232.06, 0.00288823/step, 1.73245 hours remaining, 208.746094 MB of memory in use. ENERGY: 2840600 770.1024 2008.0536 1941.5977 124.1851 -205674.1475 17834.4449 0.0000 0.0000 34180.1027 -148815.6611 298.5033 -182995.7639 -148715.9066 299.7732 66.0922 97.4001 559582.8519 7.6610 7.6803 PRESSURE: 2840800 -171.218 56.3184 -203.907 56.3188 -516.223 113.274 -203.907 113.273 -43.2475 GPRESSURE: 2840800 -173.472 105.354 -258.626 -8.55681 -423.841 162.02 -161.919 92.7929 -37.6582 PRESSAVG: 2840800 48.2965 45.2009 -28.9346 45.2008 -103.045 -38.4618 -28.9346 -38.462 40.3806 GPRESSAVG: 2840800 47.2313 45.6239 -29.5145 46.705 -103.704 -38.5896 -29.0606 -37.2679 41.9163 TIMING: 2840800 CPU: 8232.64, 0.00290017/step Wall: 8232.64, 0.00290017/step, 1.73946 hours remaining, 208.746094 MB of memory in use. ENERGY: 2840800 738.5628 2051.3614 1937.3278 103.5498 -205900.8900 17600.3026 0.0000 0.0000 34493.7941 -148975.9915 301.2429 -183469.7856 -148872.9229 300.3406 -243.5630 -211.6571 559413.4723 -4.7894 -4.8523 PRESSURE: 2841000 88.9581 10.0619 -89.179 10.0614 13.8503 11.8167 -89.1785 11.8163 202.595 GPRESSURE: 2841000 153.431 69.8516 -97.7553 -57.9767 36.1507 -23.957 -87.3555 11.3274 208.938 PRESSAVG: 2841000 -33.5571 15.4838 -87.559 15.4837 -18.4472 40.774 -87.559 40.774 54.7316 GPRESSAVG: 2841000 -34.6474 14.2477 -89.0293 14.39 -17.8732 42.6538 -86.3694 39.261 55.2517 TIMING: 2841000 CPU: 8233.22, 0.00290891/step Wall: 8233.22, 0.00290891/step, 1.74454 hours remaining, 208.746094 MB of memory in use. ENERGY: 2841000 715.7806 2084.6419 1987.2109 118.4887 -205961.8211 17768.6877 0.0000 0.0000 34467.8465 -148819.1648 301.0163 -183287.0113 -148725.8043 300.3655 101.8010 132.8401 556143.4456 0.9091 0.9104 PRESSURE: 2841200 179.239 39.4685 40.9231 39.4683 100.714 75.5766 40.9218 75.5753 -96.7554 GPRESSURE: 2841200 175.314 -13.7782 119.225 -30.1274 137.057 -7.62634 -28.3031 94.2575 -19.541 PRESSAVG: 2841200 -5.43303 1.18142 44.8031 1.18141 -9.68663 -19.7481 44.8031 -19.7482 -0.193053 GPRESSAVG: 2841200 -4.31073 0.588097 46.259 3.5255 -10.7782 -20.5182 44.4127 -20.6074 -0.591286 TIMING: 2841200 CPU: 8233.81, 0.00291262/step Wall: 8233.81, 0.00291262/step, 1.7466 hours remaining, 208.746094 MB of memory in use. ENERGY: 2841200 733.3365 2027.0038 1935.9970 105.0014 -205961.6288 17774.4377 0.0000 0.0000 34381.8553 -149003.9971 300.2653 -183385.8524 -148902.8300 300.1877 61.0659 97.6097 557274.9939 -5.1042 -5.2267 PRESSURE: 2841400 167.157 88.5658 37.6702 88.5655 61.0045 -65.7869 37.6704 -65.7867 42.7067 GPRESSURE: 2841400 245.738 58.4928 89.3344 88.9033 86.8012 -13.1406 -17.7725 -157.77 44.5993 PRESSAVG: 2841400 -4.11911 2.80537 37.3334 2.80532 1.96233 9.62078 37.3334 9.62084 -19.4741 GPRESSAVG: 2841400 -3.31411 3.77751 38.5577 2.18593 3.22703 10.5091 35.0224 10.121 -21.1648 TIMING: 2841400 CPU: 8234.38, 0.00288155/step Wall: 8234.38, 0.00288155/step, 1.72781 hours remaining, 208.746094 MB of memory in use. ENERGY: 2841400 763.2995 2042.5172 1937.1889 111.7254 -206457.2836 18100.3554 0.0000 0.0000 34445.0258 -149057.1714 300.8170 -183502.1972 -148966.8598 300.1295 90.2893 125.7128 556741.7056 -7.2103 -7.0840 PRESSURE: 2841600 -78.3502 5.71855 181.607 5.71873 -76.4112 -6.80525 181.606 -6.80548 -25.5467 GPRESSURE: 2841600 -41.5525 12.5806 239.871 3.61651 -14.192 -63.4075 139.298 42.2056 -10.3786 PRESSAVG: 2841600 9.998 -28.9552 -22.2045 -28.9552 39.9733 2.45352 -22.2045 2.45346 -31.7349 GPRESSAVG: 2841600 9.41837 -30.2576 -23.1978 -29.8479 39.5072 -1.03163 -21.3775 4.84804 -30.6128 TIMING: 2841600 CPU: 8234.96, 0.00288929/step Wall: 8234.96, 0.00288929/step, 1.73229 hours remaining, 208.746094 MB of memory in use. ENERGY: 2841600 724.3122 2068.9403 1937.2290 115.5119 -205756.7332 17447.6138 0.0000 0.0000 34248.8940 -149214.2320 299.1041 -183463.1260 -149120.4614 299.3150 -60.1027 -22.0411 557058.7556 6.0788 6.1043 PRESSURE: 2841800 -59.4983 77.2502 83.2432 77.2494 134.162 54.7741 83.243 54.7736 -95.7183 GPRESSURE: 2841800 -60.8964 99.3643 105.945 1.74965 184.243 102.14 33.6977 52.0538 -57.2473 PRESSAVG: 2841800 -0.784372 22.7766 13.6101 22.7766 0.427272 29.1408 13.6101 29.1409 -38.1182 GPRESSAVG: 2841800 -1.09008 23.4302 12.8151 25.7736 0.104166 29.9544 14.2197 27.9627 -37.5525 TIMING: 2841800 CPU: 8235.54, 0.00289075/step Wall: 8235.54, 0.00289075/step, 1.73301 hours remaining, 208.746094 MB of memory in use. ENERGY: 2841800 732.0632 1996.3624 1951.3257 111.3456 -206165.4842 17914.3649 0.0000 0.0000 34124.0736 -149335.9488 298.0140 -183460.0224 -149241.7651 298.8305 -7.0183 22.0332 557474.0374 -12.8251 -12.8461 PRESSURE: 2842000 219.971 -118.504 4.58125 -118.505 -32.4716 -55.7448 4.5802 -55.7441 -340.135 GPRESSURE: 2842000 226.305 -135.99 -19.7566 -123.278 -33.0711 -23.5585 -28.9995 -0.714359 -246.838 PRESSAVG: 2842000 49.7773 -1.85982 -5.75286 -1.85993 -24.8617 -2.4686 -5.75291 -2.4685 -8.96857 GPRESSAVG: 2842000 49.938 -0.978824 -5.37461 -5.86721 -24.837 -2.41841 -6.42409 -1.68008 -9.20657 TIMING: 2842000 CPU: 8236.12, 0.0029082/step Wall: 8236.12, 0.0029082/step, 1.7433 hours remaining, 208.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2842000 695.2835 2054.9645 1960.8233 122.5379 -205945.7828 17776.0529 0.0000 0.0000 34144.9318 -149191.1889 298.1962 -183336.1207 -149099.0879 298.9841 -50.8788 -17.8679 557909.2032 5.3157 5.2982 PRESSURE: 2842200 -222.252 87.0915 140.631 87.092 -36.3073 -64.6112 140.63 -64.6109 -79.081 GPRESSURE: 2842200 -177.064 143.06 169.689 45.7432 19.7096 -112.224 119.124 -107.83 -77.8566 PRESSAVG: 2842200 30.933 3.33203 57.0933 3.33196 -7.02096 9.04302 57.0934 9.04291 -4.89329 GPRESSAVG: 2842200 31.7621 4.11505 58.204 3.89838 -7.44741 9.33354 58.2485 9.01048 -5.12086 TIMING: 2842200 CPU: 8236.7, 0.00291609/step Wall: 8236.7, 0.00291609/step, 1.74787 hours remaining, 208.746094 MB of memory in use. ENERGY: 2842200 749.8774 2069.6032 1956.5239 108.1928 -205853.1317 17548.7332 0.0000 0.0000 34426.0105 -148994.1906 300.6509 -183420.2011 -148901.6041 299.4012 -112.5469 -78.4037 558527.9379 6.3396 6.3980 PRESSURE: 2842400 16.9613 40.5326 128.151 40.5311 359.387 -176.951 128.151 -176.949 64.4779 GPRESSURE: 2842400 47.4664 -5.46811 58.9934 106.267 398.151 -196.023 142.232 -101.411 93.5486 PRESSAVG: 2842400 -22.6043 17.0755 6.7216 17.0754 -2.04002 -8.10092 6.72163 -8.10095 18.9077 GPRESSAVG: 2842400 -22.7937 14.9274 6.08214 18.572 -2.35877 -7.41196 5.8054 -8.26568 18.9807 TIMING: 2842400 CPU: 8237.29, 0.0029171/step Wall: 8237.29, 0.0029171/step, 1.74832 hours remaining, 208.746094 MB of memory in use. ENERGY: 2842400 726.5219 2038.7974 1942.0093 110.9519 -205935.4707 17792.8367 0.0000 0.0000 34276.9727 -149047.3809 299.3493 -183324.3535 -148949.5569 299.1984 146.9422 179.7220 556300.1220 -1.9122 -2.0572 PRESSURE: 2842600 -104.873 55.4499 -12.6934 55.4494 -51.5422 253.908 -12.6922 253.907 109.361 GPRESSURE: 2842600 -73.7151 137.007 4.90058 28.577 20.4119 250.98 7.15083 170.084 120.052 PRESSAVG: 2842600 -57.8955 37.224 69.2258 37.2241 4.02078 -5.34846 69.2258 -5.34855 5.21561 GPRESSAVG: 2842600 -57.7964 37.9567 68.8902 38.029 4.82325 -5.68144 68.6224 -8.09261 4.53494 TIMING: 2842600 CPU: 8237.87, 0.00293891/step Wall: 8237.87, 0.00293891/step, 1.76122 hours remaining, 208.746094 MB of memory in use. ENERGY: 2842600 784.6418 1975.0500 1964.5856 106.5907 -206280.6978 18063.6400 0.0000 0.0000 34231.4206 -149154.7692 298.9515 -183386.1897 -149065.3161 299.8132 -15.6849 22.2495 558394.9317 -16.2197 -16.1461 PRESSURE: 2842800 -35.8462 -40.2554 179.905 -40.2552 41.5802 -58.7892 179.906 -58.7901 -0.647129 GPRESSURE: 2842800 -40.7003 -3.49055 162.924 -7.49523 113.807 -42.9055 179.528 -66.2938 20.1241 PRESSAVG: 2842800 -2.58027 58.8237 -29.5173 58.8236 53.9514 12.1461 -29.5173 12.1461 -32.2529 GPRESSAVG: 2842800 -3.96746 59.8133 -30.7387 58.2466 53.0639 10.7713 -27.7714 14.0121 -30.4584 TIMING: 2842800 CPU: 8238.46, 0.0029157/step Wall: 8238.46, 0.0029157/step, 1.74715 hours remaining, 208.746094 MB of memory in use. ENERGY: 2842800 755.7710 2076.2000 1936.1722 108.6427 -206347.8981 17973.7841 0.0000 0.0000 34226.9145 -149270.4135 298.9122 -183497.3280 -149177.1548 299.3888 1.6956 31.0769 557324.7442 6.3727 6.2127 PRESSURE: 2843000 -7.43448 -170.719 -64.3498 -170.721 53.0526 73.1758 -64.3489 73.1769 8.66971 GPRESSURE: 2843000 43.8104 -100.443 -117.168 -140.213 63.2376 98.7185 1.35878 121.594 38.6048 PRESSAVG: 2843000 11.8094 6.56046 6.26028 6.56049 -0.128321 -10.1623 6.26021 -10.1622 -20.3506 GPRESSAVG: 2843000 11.5642 6.11761 7.43127 7.00511 0.611808 -9.0452 6.08472 -11.3624 -20.9988 TIMING: 2843000 CPU: 8239.04, 0.00289836/step Wall: 8239.04, 0.00289836/step, 1.7366 hours remaining, 208.746094 MB of memory in use. ENERGY: 2843000 775.8021 2091.5098 1947.8711 115.8876 -206482.4664 17793.0983 0.0000 0.0000 34630.1723 -149128.1252 302.4339 -183758.2975 -149028.8564 299.4309 18.0959 48.5509 556063.9953 -2.8899 -2.9409 PRESSURE: 2843200 -123.691 -10.5517 -130.56 -10.5506 -14.9997 -57.7908 -130.56 -57.7919 -104.884 GPRESSURE: 2843200 -113.744 31.1432 -115.914 -67.1161 49.9305 19.7279 -197.029 -100.176 -61.9799 PRESSAVG: 2843200 0.0890732 16.7665 -3.15335 16.7665 38.3146 29.501 -3.15341 29.501 -36.1467 GPRESSAVG: 2843200 1.53701 16.1326 -3.63725 15.6313 37.3477 29.8356 -5.41299 30.6706 -36.4663 TIMING: 2843200 CPU: 8239.61, 0.00288665/step Wall: 8239.61, 0.00288665/step, 1.72942 hours remaining, 208.746094 MB of memory in use. ENERGY: 2843200 718.7589 2085.0149 1973.5874 120.3655 -206005.3004 17682.7539 0.0000 0.0000 34258.5449 -149166.2748 299.1884 -183424.8197 -149069.8396 299.6312 -81.1913 -41.9310 557962.2515 0.7523 0.8061 PRESSURE: 2843400 3.57542 78.1381 -103.569 78.1377 146.822 -17.2473 -103.569 -17.2467 -75.9499 GPRESSURE: 2843400 15.4668 102.454 -83.0378 137.701 194.636 -58.0603 -88.2713 5.12913 -12.7593 PRESSAVG: 2843400 -31.0706 -36.7402 16.0873 -36.7401 74.5551 -38.9477 16.0873 -38.9478 -17.104 GPRESSAVG: 2843400 -33.1376 -36.5818 16.0214 -35.4154 74.8281 -39.5961 18.6128 -38.0856 -15.6632 TIMING: 2843400 CPU: 8240.19, 0.00288888/step Wall: 8240.19, 0.00288888/step, 1.7306 hours remaining, 208.746094 MB of memory in use. ENERGY: 2843400 729.5489 2025.4045 1972.2152 99.3234 -206149.1841 18026.0085 0.0000 0.0000 34265.6868 -149030.9968 299.2508 -183296.6835 -148936.8705 299.3036 24.8158 65.7813 558711.8841 8.7935 8.6757 PRESSURE: 2843600 -12.7108 -20.9567 -136.529 -20.9575 136.328 123.713 -136.53 123.713 138.386 GPRESSURE: 2843600 -4.34248 -48.7864 -181.501 -70.777 163.649 45.6635 -162.887 140.678 199.76 PRESSAVG: 2843600 -99.1111 20.6373 11.1454 20.6373 97.0828 28.5031 11.1456 28.5031 -21.9716 GPRESSAVG: 2843600 -98.5719 20.1693 11.2461 19.8652 97.7928 27.678 10.6398 27.9546 -23.3083 TIMING: 2843600 CPU: 8240.77, 0.00290175/step Wall: 8240.77, 0.00290175/step, 1.73815 hours remaining, 208.746094 MB of memory in use. ENERGY: 2843600 720.1526 2063.4036 1949.1354 102.9441 -206574.5135 17935.1519 0.0000 0.0000 34701.3145 -149102.4114 303.0552 -183803.7259 -148997.0027 299.4868 87.3343 119.6887 557500.1402 -8.0000 -8.0291 PRESSURE: 2843800 -223.942 182.101 44.5284 182.1 260.632 -67.6003 44.5279 -67.5997 5.24344 GPRESSURE: 2843800 -132.496 201.979 120.486 124.379 220.103 9.87646 1.80915 1.67058 43.6934 PRESSAVG: 2843800 -12.9117 15.3506 -49.1389 15.3506 36.8106 -40.6167 -49.1389 -40.6167 -13.4108 GPRESSAVG: 2843800 -11.6375 16.3842 -46.9884 15.9981 36.5439 -39.7389 -49.6414 -39.3897 -14.4399 TIMING: 2843800 CPU: 8241.35, 0.00290745/step Wall: 8241.35, 0.00290745/step, 1.7414 hours remaining, 208.746094 MB of memory in use. ENERGY: 2843800 754.1666 2103.3641 1990.6862 111.0071 -206354.1308 17953.9255 0.0000 0.0000 34456.7780 -148984.2033 300.9196 -183440.9813 -148888.7380 300.4951 13.9777 43.7666 558388.0414 3.4960 3.4888 PRESSURE: 2844000 11.4862 -15.7208 104.878 -15.7198 14.0326 -63.9402 104.877 -63.9386 -302.303 GPRESSURE: 2844000 4.41962 -34.4911 76.775 53.7741 63.6594 -56.4627 77.1341 -20.1359 -245.539 PRESSAVG: 2844000 -75.7465 63.8058 23.3816 63.8057 33.4875 2.24953 23.3815 2.24955 32.7772 GPRESSAVG: 2844000 -76.4293 61.3708 22.0306 64.5582 34.8206 4.38272 24.2126 0.788392 32.0743 TIMING: 2844000 CPU: 8241.94, 0.00290621/step Wall: 8241.94, 0.00290621/step, 1.7405 hours remaining, 208.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2844000 786.8281 2081.3889 1971.4962 120.0401 -206115.2533 17864.3075 0.0000 0.0000 34248.1620 -149043.0304 299.0977 -183291.1924 -148947.7042 299.8768 -92.2614 -59.1535 559613.6275 -3.1606 -3.1781 PRESSURE: 2844200 -167.877 159.437 2.19227 159.437 -65.2753 -72.2518 2.19232 -72.2515 -56.2747 GPRESSURE: 2844200 -187.722 190.247 -61.883 173.776 -26.971 -55.4744 -3.75485 -49.618 23.4607 PRESSAVG: 2844200 -11.4858 45.5057 -22.3459 45.5056 48.8086 -23.8713 -22.3459 -23.8714 -29.0772 GPRESSAVG: 2844200 -12.603 48.6762 -22.8116 44.2399 48.6748 -26.6265 -21.8036 -21.9958 -28.0539 TIMING: 2844200 CPU: 8242.52, 0.00291663/step Wall: 8242.52, 0.00291663/step, 1.74657 hours remaining, 208.746094 MB of memory in use. ENERGY: 2844200 743.1757 2044.8790 1957.3088 118.8483 -205981.0139 17724.0940 0.0000 0.0000 34334.6052 -149058.1028 299.8526 -183392.7080 -148957.6944 299.6429 -96.4756 -63.7440 558808.7041 2.7485 2.6726 LDB: ============= START OF LOAD BALANCING ============== 8245.9 LDB: ============== END OF LOAD BALANCING =============== 8245.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8245.91 LDB: ============= START OF LOAD BALANCING ============== 8246.2 LDB: Largest compute 4801 load 0.023607 is 20.0% of average load 0.117927 LDB: Average compute 0.001739 is 1.5% of average load 0.117927 LDB: TIME 8246.2 LOAD: AVG 0.117927 MAX 0.181676 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.777 MB LDB: TIME 8246.2 LOAD: AVG 0.117927 MAX 0.181676 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.816 MB LDB: TIME 8246.2 LOAD: AVG 0.117927 MAX 0.181676 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.816 MB LDB: ============== END OF LOAD BALANCING =============== 8246.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8246.2 PRESSURE: 2844400 86.8388 -39.9117 -15.823 -39.9125 -99.999 66.0942 -15.8219 66.0951 27.8314 GPRESSURE: 2844400 107.569 87.7609 -26.9005 -175.291 -81.9116 63.634 -44.9316 20.0527 80.9672 PRESSAVG: 2844400 48.0558 58.3046 -0.155151 58.3046 19.8761 -28.7514 -0.155238 -28.7514 -31.2035 GPRESSAVG: 2844400 49.6172 58.0156 0.621414 57.7948 18.5446 -27.0151 1.09331 -31.657 -31.3225 TIMING: 2844400 CPU: 8243.11, 0.00295129/step Wall: 8243.11, 0.00295129/step, 1.76716 hours remaining, 209.773438 MB of memory in use. ENERGY: 2844400 742.7940 2080.4931 1947.7885 117.7769 -206131.1411 17778.2520 0.0000 0.0000 34221.4996 -149242.5371 298.8649 -183464.0367 -149145.6645 298.9335 4.8904 35.5417 558329.4596 12.2428 12.2798 PRESSURE: 2844600 55.256 20.1956 8.35527 20.1944 -44.539 37.4108 8.35479 37.4108 16.9215 GPRESSURE: 2844600 110.831 -57.3019 -13.4537 33.6617 -43.504 74.5208 -83.5394 -10.2772 49.4412 PRESSAVG: 2844600 -41.4039 62.8885 -38.1551 62.8886 19.8935 -3.5127 -38.1553 -3.51265 14.0826 GPRESSAVG: 2844600 -41.447 61.6434 -38.7299 64.6608 19.8167 -4.04732 -39.2342 -0.312937 13.9623 TIMING: 2844600 CPU: 8243.69, 0.0029228/step Wall: 8243.69, 0.0029228/step, 1.74995 hours remaining, 209.976562 MB of memory in use. ENERGY: 2844600 719.5950 2180.9682 1954.2788 106.4003 -206418.8525 17949.5911 0.0000 0.0000 34134.9366 -149373.0826 298.1089 -183508.0192 -149269.3216 299.4147 9.2128 38.9228 558225.7655 -2.4760 -2.5560 PRESSURE: 2844800 -127.229 38.6741 88.7468 38.6742 -358.36 126.902 88.7472 126.903 -367.01 GPRESSURE: 2844800 -89.7218 -6.75275 26.9913 -5.40602 -356.497 55.9387 65.1392 121.326 -307.541 PRESSAVG: 2844800 -24.3439 -23.9297 8.90574 -23.9298 41.7013 -6.64955 8.90573 -6.6496 -12.5854 GPRESSAVG: 2844800 -24.7187 -22.49 8.48546 -26.5854 42.4167 -6.99418 7.2541 -7.83356 -12.6065 TIMING: 2844800 CPU: 8244.28, 0.00291739/step Wall: 8244.28, 0.00291739/step, 1.74654 hours remaining, 209.976562 MB of memory in use. ENERGY: 2844800 732.9233 2082.4694 1971.0537 108.2577 -205996.5254 17359.1204 0.0000 0.0000 34274.5416 -149468.1593 299.3281 -183742.7009 -149378.1840 298.9267 -284.1997 -251.2532 557100.9043 1.5907 1.6972 PRESSURE: 2845000 -257.39 -34.3228 -114.779 -34.3215 -113.389 -187.109 -114.78 -187.108 84.7404 GPRESSURE: 2845000 -218.238 77.7518 -47.6851 38.4337 -59.0718 -179.766 -116.508 -135.498 93.5637 PRESSAVG: 2845000 -41.0332 -18.1104 -7.59242 -18.1103 -0.62087 -9.72992 -7.5925 -9.72993 88.1649 GPRESSAVG: 2845000 -41.0725 -20.0948 -6.3338 -16.4974 -0.143573 -10.201 -6.4286 -10.2794 88.5066 TIMING: 2845000 CPU: 8244.86, 0.00291015/step Wall: 8244.86, 0.00291015/step, 1.74205 hours remaining, 209.976562 MB of memory in use. ENERGY: 2845000 743.4456 1992.4043 1950.3880 103.8434 -206285.6979 17740.9016 0.0000 0.0000 34319.3552 -149435.3599 299.7195 -183754.7151 -149337.1717 298.4114 -95.3462 -61.2488 557179.9903 15.5036 15.7635 PRESSURE: 2845200 -66.7399 89.8859 104.676 89.886 124.134 -27.9748 104.677 -27.9763 33.5795 GPRESSURE: 2845200 14.5897 74.2567 46.8229 155.202 80.7023 -70.0718 85.523 -4.76141 93.6397 PRESSAVG: 2845200 33.1032 -19.0062 33.9886 -19.0062 -49.2754 -38.054 33.9886 -38.054 29.3171 GPRESSAVG: 2845200 34.6708 -16.9296 34.6855 -19.3093 -50.0174 -37.7229 33.5645 -38.0228 28.2058 TIMING: 2845200 CPU: 8245.44, 0.0029035/step Wall: 8245.44, 0.0029035/step, 1.7379 hours remaining, 209.976562 MB of memory in use. ENERGY: 2845200 775.0965 2060.3576 1970.7708 118.9766 -206570.0520 17930.2661 0.0000 0.0000 34363.0043 -149351.5801 300.1007 -183714.5844 -149254.6450 298.5727 30.3246 62.9772 557481.0991 4.3817 4.2864 PRESSURE: 2845400 40.3934 146.009 61.7722 146.01 -193.8 27.5424 61.7728 27.5445 -241.286 GPRESSURE: 2845400 48.3741 156.608 168.91 228.69 -104.166 37.4531 -50.7297 72.6199 -231.326 PRESSAVG: 2845400 -1.50375 6.28434 39.5952 6.28434 3.28854 23.5105 39.5953 23.5105 -0.06754 GPRESSAVG: 2845400 -2.28718 4.42889 38.2836 7.05178 3.66314 23.2792 39.6943 21.7152 0.320964 TIMING: 2845400 CPU: 8246.01, 0.00287272/step Wall: 8246.01, 0.00287272/step, 1.71932 hours remaining, 209.976562 MB of memory in use. ENERGY: 2845400 731.0556 2057.0548 1972.2982 105.6770 -206008.3683 17582.4613 0.0000 0.0000 34160.3851 -149399.4363 298.3311 -183559.8214 -149306.2466 299.2297 -131.5642 -95.7057 558146.4048 0.5724 0.5656 PRESSURE: 2845600 -331.089 -155.832 -99.0202 -155.832 -103.434 38.4402 -99.0207 38.4395 -62.6292 GPRESSURE: 2845600 -257.302 -184.248 -97.3823 -78.3595 -124.996 25.3314 -156.628 -34.1408 -8.79758 PRESSAVG: 2845600 34.2351 17.681 -11.7774 17.681 -14.3024 34.3426 -11.7774 34.3426 -22.4575 GPRESSAVG: 2845600 33.7816 17.8818 -11.0069 17.6389 -13.822 33.3452 -13.3613 35.2871 -22.1693 TIMING: 2845600 CPU: 8246.59, 0.00287714/step Wall: 8246.59, 0.00287714/step, 1.72181 hours remaining, 209.976562 MB of memory in use. ENERGY: 2845600 752.8401 2070.0124 1966.0827 108.4110 -206175.3406 17572.1207 0.0000 0.0000 34288.7721 -149417.1015 299.4524 -183705.8736 -149318.8625 298.6944 -165.7175 -130.3650 558458.3168 -0.8416 -0.7366 PRESSURE: 2845800 83.0068 -42.0609 -118.48 -42.0624 -134.223 102.126 -118.481 102.127 -90.358 GPRESSURE: 2845800 129.127 13.8686 -80.3875 -74.2037 -153.541 133.712 -90.4025 65.6816 -27.0049 PRESSAVG: 2845800 -34.9219 24.5582 -35.585 24.5582 -1.42984 45.273 -35.585 45.2731 35.5354 GPRESSAVG: 2845800 -34.7222 26.2501 -36.365 24.1669 -1.87137 47.7135 -36.3065 46.2816 35.7762 TIMING: 2845800 CPU: 8247.17, 0.0029029/step Wall: 8247.17, 0.0029029/step, 1.73706 hours remaining, 209.976562 MB of memory in use. ENERGY: 2845800 715.2193 2086.4922 1965.3917 108.6596 -206223.2586 17755.0159 0.0000 0.0000 34045.5530 -149546.9271 297.3283 -183592.4800 -149449.1368 298.3482 -47.1914 -17.1398 558837.7459 -0.2721 -0.2725 PRESSURE: 2846000 -223.063 123.454 -29.0803 123.453 -162.661 96.6297 -29.0809 96.6309 -106.688 GPRESSURE: 2846000 -162.315 104.248 -12.6789 169.524 -177.673 74.8982 21.7466 59.7315 -49.3165 PRESSAVG: 2846000 14.669 35.4312 -2.48518 35.4312 -126.291 34.7135 -2.48514 34.7135 21.0783 GPRESSAVG: 2846000 14.3839 33.8747 -4.09877 34.3355 -124.996 32.9098 -1.73119 36.773 20.5232 TIMING: 2846000 CPU: 8247.75, 0.00287717/step Wall: 8247.75, 0.00287717/step, 1.72151 hours remaining, 209.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2846000 737.1231 2037.5220 1935.5394 130.0762 -205846.7460 17387.4756 0.0000 0.0000 34088.0909 -149530.9188 297.6998 -183619.0096 -149444.2267 298.1190 -164.1373 -129.7681 557778.6005 -30.1811 -30.0295 PRESSURE: 2846200 -162.332 -51.417 -68.3365 -51.4167 95.9068 86.6308 -68.3375 86.6313 -59.1521 GPRESSURE: 2846200 -108.262 -39.3834 -87.9682 -5.99776 130.976 55.6654 -9.11041 157.755 -53.8634 PRESSAVG: 2846200 -28.6297 52.7719 -12.0283 52.7719 11.5086 -37.7413 -12.0282 -37.7414 -5.95788 GPRESSAVG: 2846200 -27.9701 52.6545 -11.695 52.0833 9.98204 -37.4313 -11.1255 -39.4786 -5.1507 TIMING: 2846200 CPU: 8248.33, 0.00289901/step Wall: 8248.33, 0.00289901/step, 1.73441 hours remaining, 209.976562 MB of memory in use. ENERGY: 2846200 733.9158 2039.6989 1951.8707 108.4173 -206271.9330 17731.9579 0.0000 0.0000 34159.0290 -149547.0435 298.3193 -183706.0724 -149456.3799 298.4688 -41.8591 -10.3833 556410.6179 -7.6930 -7.7129 PRESSURE: 2846400 19.7681 -22.5997 -28.446 -22.6002 -37.5478 -124.282 -28.4462 -124.283 76.1297 GPRESSURE: 2846400 75.5509 -68.4143 -23.558 56.9625 -12.1892 -37.2953 5.76718 -137.649 102.155 PRESSAVG: 2846400 -47.8079 40.8516 -30.0822 40.8516 20.5644 10.7859 -30.0822 10.7859 74.2815 GPRESSAVG: 2846400 -46.8196 41.1743 -28.8239 42.4661 19.8937 11.3759 -28.6123 11.6871 74.5756 TIMING: 2846400 CPU: 8248.9, 0.00288961/step Wall: 8248.9, 0.00288961/step, 1.72863 hours remaining, 209.976562 MB of memory in use. ENERGY: 2846400 724.8089 2038.5104 1955.9903 120.4548 -206432.2809 17761.5873 0.0000 0.0000 34195.7297 -149635.1994 298.6398 -183830.9291 -149539.0207 298.3884 19.4500 55.1721 555909.6894 15.6794 15.8832 PRESSURE: 2846600 -42.8985 50.9635 -165.895 50.9633 -89.8365 28.8305 -165.895 28.8295 -257.375 GPRESSURE: 2846600 -27.7172 -27.8424 -236.174 74.3503 -56.3976 44.8178 -164.82 78.9138 -201.317 PRESSAVG: 2846600 -27.0393 31.1114 11.063 31.1115 31.6555 38.7382 11.063 38.7383 25.1509 GPRESSAVG: 2846600 -27.1424 29.4896 8.05978 30.7532 32.3206 39.3683 9.83046 37.439 24.708 TIMING: 2846600 CPU: 8249.48, 0.00289061/step Wall: 8249.48, 0.00289061/step, 1.72907 hours remaining, 209.976562 MB of memory in use. ENERGY: 2846600 750.5715 2058.4766 1933.4172 119.8371 -206377.8978 17792.6602 0.0000 0.0000 34236.2536 -149486.6815 298.9937 -183722.9351 -149390.3741 297.7516 -130.0367 -95.1441 557161.9353 9.9224 9.9621 PRESSURE: 2846800 -173.855 89.1649 50.3641 89.1652 -53.5349 43.8795 50.3629 43.8781 -255.129 GPRESSURE: 2846800 -121.022 87.4192 140.409 30.1547 -56.0098 56.5084 -56.4196 -32.3234 -198.28 PRESSAVG: 2846800 -60.4657 0.718168 9.23725 0.718128 86.3223 -26.3461 9.23723 -26.3461 27.6766 GPRESSAVG: 2846800 -60.4618 4.22597 9.82403 -0.50257 86.4253 -26.5103 10.0891 -25.7742 27.627 TIMING: 2846800 CPU: 8250.06, 0.00290317/step Wall: 8250.06, 0.00290317/step, 1.73642 hours remaining, 209.976562 MB of memory in use. ENERGY: 2846800 740.3669 2070.2143 1931.6874 117.1399 -206182.8597 17619.1692 0.0000 0.0000 34284.9461 -149419.3358 299.4190 -183704.2819 -149323.0323 299.1282 -160.8396 -125.1040 558704.9450 17.8444 17.8635 PRESSURE: 2847000 -360.321 112.924 40.7463 112.924 -206.882 -100.582 40.7464 -100.583 113.876 GPRESSURE: 2847000 -274.897 153.513 150.693 11.5762 -201.16 -118.358 -14.1634 -102.954 115.232 PRESSAVG: 2847000 -19.0584 31.7101 35.6796 31.7101 35.631 -42.0775 35.6796 -42.0774 -21.3214 GPRESSAVG: 2847000 -20.8845 31.0833 36.2011 32.1998 36.7017 -45.0144 34.6755 -42.1004 -21.0759 TIMING: 2847000 CPU: 8250.64, 0.00290947/step Wall: 8250.64, 0.00290947/step, 1.74003 hours remaining, 209.976562 MB of memory in use. ENERGY: 2847000 735.2974 2042.2427 1951.3949 113.3315 -206261.9968 17647.1768 0.0000 0.0000 34281.2422 -149491.3113 299.3866 -183772.5535 -149396.2297 298.6382 -151.1092 -120.2752 559116.4229 -1.5829 -1.7529 PRESSURE: 2847200 23.9414 -163.831 108.64 -163.833 11.6901 -18.2041 108.64 -18.2066 -256.976 GPRESSURE: 2847200 57.2627 -216.275 126.556 -28.8914 43.0596 -93.1934 127.721 71.2097 -218.842 PRESSAVG: 2847200 9.60553 42.6531 56.0297 42.6531 28.8067 -1.68773 56.0297 -1.68767 -25.2645 GPRESSAVG: 2847200 9.28874 42.5085 58.4133 42.1435 29.396 0.796125 54.0499 -1.55966 -25.1904 TIMING: 2847200 CPU: 8251.22, 0.00288086/step Wall: 8251.22, 0.00288086/step, 1.72276 hours remaining, 209.976562 MB of memory in use. ENERGY: 2847200 756.5145 2050.0319 1948.1103 110.0300 -206751.4920 18042.4804 0.0000 0.0000 34356.7144 -149487.6104 300.0457 -183844.3249 -149388.2814 298.5426 -73.7816 -39.5066 557210.7421 4.3826 4.4981 PRESSURE: 2847400 -271.975 -61.7641 143.757 -61.7642 -260.545 101.714 143.756 101.714 -125.595 GPRESSURE: 2847400 -287.615 15.0171 160.036 -5.89763 -240.444 132.317 94.8215 58.9763 -34.3871 PRESSAVG: 2847400 17.3464 -34.9409 75.4388 -34.941 52.4252 14.5898 75.4388 14.5899 -30.184 GPRESSAVG: 2847400 18.0635 -35.2174 73.0547 -32.5754 50.7583 14.3666 79.5939 15.8641 -29.0984 TIMING: 2847400 CPU: 8251.8, 0.00291109/step Wall: 8251.8, 0.00291109/step, 1.74067 hours remaining, 209.976562 MB of memory in use. ENERGY: 2847400 740.5124 2116.2526 1956.3514 121.4076 -205739.2353 17348.8571 0.0000 0.0000 34160.9795 -149294.8748 298.3363 -183455.8543 -149197.5469 298.7038 -219.3716 -187.4822 557629.7512 13.1959 13.2411 PRESSURE: 2847600 199.425 54.0534 -79.5709 54.0531 106.592 87.4768 -79.5701 87.4754 -125.678 GPRESSURE: 2847600 278.819 136.071 -52.428 18.0561 128.801 10.319 -117.962 117.496 -134.783 PRESSAVG: 2847600 -88.8184 35.4224 -19.5507 35.4224 103.663 -23.5397 -19.5507 -23.5397 14.632 GPRESSAVG: 2847600 -87.566 36.3904 -19.257 34.1388 102.868 -23.3946 -21.1289 -23.9457 13.6582 TIMING: 2847600 CPU: 8252.38, 0.0029133/step Wall: 8252.38, 0.0029133/step, 1.74183 hours remaining, 209.976562 MB of memory in use. ENERGY: 2847600 751.1138 2110.5497 1937.8784 106.2227 -206620.6853 18101.5000 0.0000 0.0000 34194.0306 -149419.3902 298.6250 -183613.4208 -149326.0211 298.8913 60.1129 90.9457 557629.8227 9.8256 9.6533 PRESSURE: 2847800 20.5694 48.2714 -35.4616 48.2707 -24.1153 166.3 -35.4609 166.299 -58.0415 GPRESSURE: 2847800 55.5267 33.2622 -103.75 40.9366 -20.9144 170.525 -68.1465 192.796 5.4036 PRESSAVG: 2847800 -18.9744 50.4354 7.99325 50.4354 38.4657 -14.839 7.99321 -14.8391 4.13667 GPRESSAVG: 2847800 -19.1767 47.1568 9.73163 50.5351 38.8891 -13.6637 6.78964 -15.1047 3.75992 TIMING: 2847800 CPU: 8252.97, 0.00291848/step Wall: 8252.97, 0.00291848/step, 1.74477 hours remaining, 209.976562 MB of memory in use. ENERGY: 2847800 717.6030 2084.5926 1949.5013 98.3293 -206478.2852 17853.9395 0.0000 0.0000 34344.3418 -149429.9779 299.9377 -183774.3197 -149328.1152 298.1934 -20.5292 13.3386 556879.8635 7.8760 7.8241 PRESSURE: 2848000 -84.5515 48.5746 20.6065 48.5738 -209.866 -8.25503 20.6076 -8.25329 19.9892 GPRESSURE: 2848000 -38.4475 54.3974 3.02331 -15.2193 -171.381 -0.246728 25.3736 -30.7679 21.327 PRESSAVG: 2848000 37.0584 -17.8039 -41.2968 -17.804 -22.9807 89.6838 -41.2968 89.6838 -30.0887 GPRESSAVG: 2848000 37.7366 -17.6031 -42.0631 -17.4186 -23.5548 90.0435 -42.8119 88.7474 -29.9912 TIMING: 2848000 CPU: 8253.55, 0.0029113/step Wall: 8253.55, 0.0029113/step, 1.74031 hours remaining, 209.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2848000 750.2237 2124.9152 1979.8928 119.4841 -205948.4588 17654.1080 0.0000 0.0000 34091.9993 -149227.8357 297.7339 -183319.8349 -149136.7954 298.7597 -91.4760 -62.8338 558462.1383 -5.3370 -5.2698 PRESSURE: 2848200 -14.3177 -17.6968 -153.409 -17.6964 151.937 180.37 -153.408 180.369 -150.126 GPRESSURE: 2848200 60.0563 -124.654 -125.455 90.8149 143.816 280.771 -133.456 196.141 -119.782 PRESSAVG: 2848200 68.6137 -8.15962 1.09879 -8.15959 20.3057 33.7079 1.09874 33.7078 -85.2992 GPRESSAVG: 2848200 66.5098 -7.09228 1.35974 -9.51492 20.0561 34.2347 1.89641 33.221 -83.722 TIMING: 2848200 CPU: 8254.13, 0.00289823/step Wall: 8254.13, 0.00289823/step, 1.73234 hours remaining, 209.976562 MB of memory in use. ENERGY: 2848200 756.5764 2093.0424 1956.8736 112.1722 -206356.6668 17900.6822 0.0000 0.0000 34171.7792 -149365.5407 298.4306 -183537.3199 -149271.2804 298.8128 -4.1691 28.0301 557912.9863 1.2067 0.9480 LDB: ============= START OF LOAD BALANCING ============== 8257.52 LDB: ============== END OF LOAD BALANCING =============== 8257.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8257.52 LDB: ============= START OF LOAD BALANCING ============== 8257.81 LDB: Largest compute 4801 load 0.024084 is 20.4% of average load 0.117973 LDB: Average compute 0.001746 is 1.5% of average load 0.117973 LDB: TIME 8257.81 LOAD: AVG 0.117973 MAX 0.180623 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.023 MB LDB: TIME 8257.81 LOAD: AVG 0.117973 MAX 0.180623 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.082 MB LDB: TIME 8257.81 LOAD: AVG 0.117973 MAX 0.180623 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8257.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8257.82 PRESSURE: 2848400 -103.063 16.7681 -105.641 16.7686 87.9293 -39.1463 -105.643 -39.1471 -193.553 GPRESSURE: 2848400 -84.6584 -61.9191 -17.9421 78.7043 123.704 -24.8472 -116.913 15.8793 -150.652 PRESSAVG: 2848400 -19.204 -3.26824 -71.3458 -3.26819 83.6346 51.2522 -71.3458 51.2522 -32.2736 GPRESSAVG: 2848400 -18.46 -3.3505 -70.1055 -1.73093 84.839 49.9851 -71.0483 53.2206 -34.2613 TIMING: 2848400 CPU: 8254.73, 0.0029747/step Wall: 8254.73, 0.0029747/step, 1.77788 hours remaining, 209.003906 MB of memory in use. ENERGY: 2848400 742.8068 2068.8730 1975.7200 118.8095 -206092.4855 17719.5437 0.0000 0.0000 34312.3375 -149154.3949 299.6582 -183466.7324 -149058.3873 298.8019 -69.5620 -37.2020 557696.4824 10.7190 10.7059 PRESSURE: 2848600 179.68 -106.421 88.8432 -106.42 -26.8702 43.8053 88.8426 43.8049 -97.6823 GPRESSURE: 2848600 239.653 -71.547 -8.24453 -80.9765 -39.144 75.2825 177.136 -22.6216 -57.1996 PRESSAVG: 2848600 -37.4446 -23.6943 -0.803502 -23.6942 59.0681 63.3958 -0.803453 63.3958 -49.9496 GPRESSAVG: 2848600 -37.4213 -22.116 -4.19749 -26.4054 58.2314 63.4434 1.2914 62.2677 -49.1469 TIMING: 2848600 CPU: 8255.31, 0.00290122/step Wall: 8255.31, 0.00290122/step, 1.7338 hours remaining, 209.003906 MB of memory in use. ENERGY: 2848600 754.7154 2097.5596 1927.3893 105.6742 -205896.8987 17717.9350 0.0000 0.0000 34416.7477 -148876.8776 300.5700 -183293.6252 -148782.9444 299.8097 18.3759 47.7698 556926.9391 -9.4420 -9.4456 PRESSURE: 2848800 -111.165 80.7702 -170.644 80.7691 -323.305 -91.924 -170.643 -91.9208 -50.8337 GPRESSURE: 2848800 -96.7774 40.0511 -45.0802 117.634 -238.241 -102.36 -193.208 -61.5912 -47.2861 PRESSAVG: 2848800 51.953 17.9198 19.8465 17.9198 46.7282 39.8755 19.8465 39.8755 -63.4537 GPRESSAVG: 2848800 51.3352 15.871 22.4732 18.5501 47.7167 38.1787 18.4878 42.272 -64.1376 TIMING: 2848800 CPU: 8255.88, 0.00288656/step Wall: 8255.88, 0.00288656/step, 1.72488 hours remaining, 209.003906 MB of memory in use. ENERGY: 2848800 746.4187 2049.6851 1927.0519 109.8932 -205592.0657 17276.4254 0.0000 0.0000 34538.4728 -148944.1186 301.6331 -183482.5914 -148851.4316 299.9093 -161.7678 -127.4347 557842.2992 11.7425 11.6381 PRESSURE: 2849000 -250.444 -124.951 18.4052 -124.953 -44.9806 -96.7861 18.4043 -96.7871 -102.032 GPRESSURE: 2849000 -184.769 -170.539 16.7206 -90.1207 -42.9755 -78.64 -63.7422 20.647 -65.0234 PRESSAVG: 2849000 0.888078 7.08314 10.4058 7.08315 19.6882 16.6241 10.4058 16.6242 -35.3165 GPRESSAVG: 2849000 1.67406 9.58608 11.7346 7.1871 19.5162 19.6 11.2445 13.3864 -35.4468 TIMING: 2849000 CPU: 8256.46, 0.00288634/step Wall: 8256.46, 0.00288634/step, 1.72459 hours remaining, 209.003906 MB of memory in use. ENERGY: 2849000 736.2797 2133.6960 1946.3408 115.5795 -205592.3633 17635.5093 0.0000 0.0000 34238.9893 -148785.9688 299.0176 -183024.9581 -148684.0266 299.9197 -132.4857 -97.5892 559463.4523 -4.9134 -4.7522 PRESSURE: 2849200 -61.2999 51.341 -107.87 51.3405 108.391 99.8085 -107.869 99.8082 21.5448 GPRESSURE: 2849200 -61.705 46.3361 -177.367 -29.0416 231.629 19.9421 -27.2519 139.662 7.65131 PRESSAVG: 2849200 74.4569 7.89991 1.18722 7.89989 -9.33003 13.1788 1.1872 13.1788 -21.7431 GPRESSAVG: 2849200 74.4193 7.11727 1.47194 6.90696 -9.55444 9.34359 -0.878531 16.1671 -21.5574 TIMING: 2849200 CPU: 8257.03, 0.00287178/step Wall: 8257.03, 0.00287178/step, 1.71573 hours remaining, 209.003906 MB of memory in use. ENERGY: 2849200 739.3229 2086.3750 1986.3496 109.4000 -206219.2743 18065.0552 0.0000 0.0000 34293.6416 -148939.1300 299.4949 -183232.7717 -148845.0126 300.1089 22.8787 59.1918 559260.0214 14.4613 14.4358 PRESSURE: 2849400 -35.796 32.0652 -114.996 32.0654 102.09 31.3721 -114.995 31.3723 -168.096 GPRESSURE: 2849400 -0.629503 31.161 -146.839 30.1464 109.116 69.2399 -62.1513 -53.6239 -104.555 PRESSAVG: 2849400 -16.9728 -40.6084 48.3969 -40.6085 33.9646 32.99 48.3969 32.99 24.6973 GPRESSAVG: 2849400 -16.6441 -40.1946 46.4886 -39.2599 33.2428 34.8811 49.8417 30.1244 25.3362 TIMING: 2849400 CPU: 8257.61, 0.00288327/step Wall: 8257.61, 0.00288327/step, 1.72243 hours remaining, 209.003906 MB of memory in use. ENERGY: 2849400 758.2343 2035.2495 1975.2153 119.3459 -206098.0902 17925.2111 0.0000 0.0000 34233.2998 -149051.5344 298.9679 -183284.8342 -148956.8125 299.4880 -33.9342 1.3103 558820.3198 13.8964 13.9783 PRESSURE: 2849600 239.72 187.183 73.5507 187.184 181.276 18.7364 73.5509 18.7355 244.079 GPRESSURE: 2849600 294.142 113.073 59.7692 176.565 223.769 59.3354 151.435 -3.1545 239.983 PRESSAVG: 2849600 24.5535 10.8904 35.6631 10.8904 -5.26197 0.588096 35.6631 0.588039 -6.50163 GPRESSAVG: 2849600 23.5233 10.6286 34.4265 9.61929 -4.48689 0.560628 37.2773 2.63977 -6.60496 TIMING: 2849600 CPU: 8258.19, 0.00287555/step Wall: 8258.19, 0.00287555/step, 1.71766 hours remaining, 209.003906 MB of memory in use. ENERGY: 2849600 743.2696 2004.9197 1987.8885 110.6130 -206415.6409 18150.8964 0.0000 0.0000 34530.6546 -148887.3992 301.5648 -183418.0538 -148792.2418 299.6068 221.6916 252.6312 557669.6490 4.2633 4.1438 PRESSURE: 2849800 -156.536 -1.45899 -94.205 -1.45886 -167.266 191.425 -94.2047 191.426 -129.157 GPRESSURE: 2849800 -161.548 84.2406 -115.861 -67.7146 -110.384 254.514 -79.3607 162.658 -109.754 PRESSAVG: 2849800 19.429 11.6874 27.09 11.6874 48.6027 46.939 27.09 46.9389 -85.7474 GPRESSAVG: 2849800 18.5985 13.4653 27.32 11.3225 48.765 47.6636 25.331 47.6107 -85.416 TIMING: 2849800 CPU: 8258.76, 0.00289059/step Wall: 8258.76, 0.00289059/step, 1.72649 hours remaining, 209.003906 MB of memory in use. ENERGY: 2849800 762.7193 2018.1336 1976.5558 117.2363 -205497.8680 17405.1414 0.0000 0.0000 34282.4387 -148935.6430 299.3971 -183218.0817 -148834.8758 300.2887 -150.9861 -127.2285 558381.3259 -5.9053 -6.0175 PRESSURE: 2850000 -91.9048 13.6058 -108.129 13.6053 -63.5039 109.46 -108.128 109.459 -218.538 GPRESSURE: 2850000 -51.5186 -44.45 -151.386 -60.8024 10.4748 64.7329 -65.2017 93.5125 -223.915 PRESSAVG: 2850000 25.3634 -18.3454 45.3898 -18.3454 78.2205 11.1828 45.3898 11.1829 -111.989 GPRESSAVG: 2850000 26.2409 -20.8373 44.8315 -16.7173 78.6204 10.3516 46.0163 8.70844 -113.277 TIMING: 2850000 CPU: 8259.34, 0.00289066/step Wall: 8259.34, 0.00289066/step, 1.72637 hours remaining, 209.003906 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: 2850000 762.6657 2064.4926 1960.8460 120.4270 -205713.6916 17636.3173 0.0000 0.0000 34294.4008 -148874.5422 299.5015 -183168.9431 -148774.2780 300.0945 -124.6489 -88.3195 557801.0042 -2.8018 -2.8053 PRESSURE: 2850200 -30.1154 25.1493 -40.7886 25.15 13.577 -167.043 -40.7882 -167.044 -65.6767 GPRESSURE: 2850200 -16.6774 -77.1467 71.6756 25.6295 76.676 -80.7101 -46.5408 -327.509 -37.2554 PRESSAVG: 2850200 10.7212 -30.3796 -11.4014 -30.3795 40.2807 -37.1056 -11.4014 -37.1057 -60.5239 GPRESSAVG: 2850200 11.3778 -28.3326 -8.18259 -31.2817 38.6809 -37.0851 -11.8516 -35.5194 -59.8421 TIMING: 2850200 CPU: 8259.92, 0.00287621/step Wall: 8259.92, 0.00287621/step, 1.71757 hours remaining, 209.003906 MB of memory in use. ENERGY: 2850200 768.0577 2056.8612 1978.8077 112.9079 -205848.5074 17755.1426 0.0000 0.0000 34230.9507 -148945.7797 298.9474 -183176.7304 -148852.9117 299.6090 -27.4051 7.5811 557696.0186 -3.1740 -3.2611 PRESSURE: 2850400 -4.09328 86.3216 -137.209 86.3198 -146.776 13.8343 -137.208 13.8363 89.7559 GPRESSURE: 2850400 58.0664 75.2857 -87.0412 111.41 -100.967 -2.79609 -155.404 -6.13609 81.8088 PRESSAVG: 2850400 -2.95708 -52.375 -7.47507 -52.3749 12.8384 6.36635 -7.47491 6.36638 7.37335 GPRESSAVG: 2850400 -4.07131 -54.9035 -10.8827 -53.016 14.4271 7.56395 -5.88838 5.58738 6.83906 TIMING: 2850400 CPU: 8260.5, 0.00289803/step Wall: 8260.5, 0.00289803/step, 1.73044 hours remaining, 209.003906 MB of memory in use. ENERGY: 2850400 734.4884 2043.4476 1995.8353 131.5840 -206036.7895 17792.8822 0.0000 0.0000 34295.5996 -149042.9524 299.5120 -183338.5520 -148948.0333 299.2408 -20.3713 12.9695 556528.4092 5.7516 5.7316 PRESSURE: 2850600 -266.614 134.828 226.286 134.827 -158.652 -119.115 226.287 -119.116 -138.514 GPRESSURE: 2850600 -235.437 123.319 159.495 73.099 -130.264 -143.964 136.743 -165.074 -93.2073 PRESSAVG: 2850600 11.7052 -1.51518 13.1113 -1.51514 -55.6576 2.68513 13.1113 2.68522 16.5637 GPRESSAVG: 2850600 11.6357 -0.469459 13.3028 -1.51316 -55.6914 1.55612 12.6685 3.28064 16.7912 TIMING: 2850600 CPU: 8261.08, 0.00288911/step Wall: 8261.08, 0.00288911/step, 1.72496 hours remaining, 209.003906 MB of memory in use. ENERGY: 2850600 757.8923 2134.4957 1948.7953 104.8316 -205648.1215 17420.7339 0.0000 0.0000 34235.2525 -149046.1202 298.9850 -183281.3727 -148957.2431 300.0109 -187.9267 -152.9694 558826.9440 -9.1296 -9.0882 PRESSURE: 2850800 13.3089 41.3039 250.011 41.3046 -98.9561 -19.1987 250.01 -19.2 126.503 GPRESSURE: 2850800 41.9644 92.836 274.179 -7.05189 -63.0184 4.78118 222.68 -63.9606 163.121 PRESSAVG: 2850800 -45.3374 -37.4227 98.9079 -37.4227 36.0339 -11.1537 98.9078 -11.1535 18.6312 GPRESSAVG: 2850800 -45.6144 -36.9248 100.714 -38.1601 36.0173 -9.5702 99.9598 -11.6 19.528 TIMING: 2850800 CPU: 8261.65, 0.00287884/step Wall: 8261.65, 0.00287884/step, 1.71867 hours remaining, 209.003906 MB of memory in use. ENERGY: 2850800 747.3573 2075.3123 1962.4407 110.5750 -205998.6254 17816.1875 0.0000 0.0000 34218.1455 -149068.6071 298.8356 -183286.7526 -148972.9492 299.8979 13.6187 47.3558 556767.3681 3.1092 3.3103 PRESSURE: 2851000 184.212 -160.821 -103.137 -160.822 402.64 -199.489 -103.137 -199.488 59.7492 GPRESSURE: 2851000 166.479 -156.76 -140.35 -43.6772 473.25 -232.451 -23.22 -222.681 99.5126 PRESSAVG: 2851000 17.7868 4.47177 21.1917 4.47167 -15.3209 -13.8243 21.1917 -13.8243 1.7296 GPRESSAVG: 2851000 18.0739 5.5532 19.5623 6.3276 -15.2916 -16.4008 21.0746 -12.6708 1.59903 TIMING: 2851000 CPU: 8262.23, 0.00287246/step Wall: 8262.23, 0.00287246/step, 1.7147 hours remaining, 209.003906 MB of memory in use. ENERGY: 2851000 701.6307 2137.4544 1946.9639 104.3647 -206390.3726 17993.2461 0.0000 0.0000 34326.4620 -149180.2507 299.7815 -183506.7127 -149089.5021 300.0098 215.5338 246.4141 556008.1818 1.3985 1.4604 PRESSURE: 2851200 4.31055 -77.2559 58.0076 -77.2567 -39.3805 9.40464 58.0073 9.40333 -335.12 GPRESSURE: 2851200 64.8155 -82.8362 39.8705 -7.15347 -32.1103 -26.3862 53.2312 -38.3045 -317.792 PRESSAVG: 2851200 12.5088 48.7332 7.96879 48.7332 7.47844 -4.12204 7.96883 -4.12191 -34.0931 GPRESSAVG: 2851200 12.958 46.875 7.03826 48.6623 7.42548 -2.64256 7.72832 -4.17066 -35.1479 TIMING: 2851200 CPU: 8262.8, 0.0028731/step Wall: 8262.8, 0.0028731/step, 1.71492 hours remaining, 209.207031 MB of memory in use. ENERGY: 2851200 745.4973 2077.4661 1947.4655 101.4769 -205992.6614 17561.9008 0.0000 0.0000 34244.3369 -149314.5181 299.0643 -183558.8550 -149219.3735 299.2512 -123.3968 -95.0290 557701.1206 -4.7020 -4.9215 PRESSURE: 2851400 0.146458 72.6829 52.7873 72.6834 -331.918 -48.5708 52.7871 -48.5707 163.365 GPRESSURE: 2851400 27.5622 115.072 31.0224 -58.6912 -207.346 -32.0136 121.478 -5.60225 118.781 PRESSAVG: 2851400 66.1078 48.4269 -30.5617 48.4269 -19.1418 53.6393 -30.5617 53.6393 -25.9936 GPRESSAVG: 2851400 65.8134 49.2468 -27.5059 48.1911 -18.8315 54.0462 -30.5991 52.6922 -25.8915 TIMING: 2851400 CPU: 8263.37, 0.00286133/step Wall: 8263.37, 0.00286133/step, 1.70773 hours remaining, 209.207031 MB of memory in use. ENERGY: 2851400 763.5704 2092.6661 1965.7648 110.8846 -206239.7542 17851.6710 0.0000 0.0000 34138.3652 -149316.8320 298.1388 -183455.1972 -149226.6387 299.6393 -56.1355 -20.3345 557601.5335 6.9908 7.0301 PRESSURE: 2851600 97.7288 -124.445 96.9927 -124.445 -2.70513 129.589 96.9921 129.59 254.203 GPRESSURE: 2851600 198.835 -88.5884 48.8142 -155.156 -26.6613 78.8946 94.1786 183.726 276.261 PRESSAVG: 2851600 1.18732 -97.0091 -33.5251 -97.0091 32.249 10.9882 -33.5251 10.9882 1.95539 GPRESSAVG: 2851600 1.49256 -97.5405 -34.6875 -97.0536 33.2593 7.54852 -33.3643 10.7955 1.41308 TIMING: 2851600 CPU: 8263.95, 0.00287855/step Wall: 8263.95, 0.00287855/step, 1.71785 hours remaining, 209.207031 MB of memory in use. ENERGY: 2851600 734.1543 2086.1211 1972.7615 105.2788 -206070.9148 17799.4343 0.0000 0.0000 33946.7479 -149426.4168 296.4654 -183373.1647 -149338.3135 298.4013 116.4089 149.4781 557115.6411 11.7972 12.0550 PRESSURE: 2851800 -96.2756 -59.9772 142.028 -59.9776 8.54092 37.6693 142.028 37.6694 -133.622 GPRESSURE: 2851800 -25.9842 5.84817 174.056 -97.946 -0.779744 77.8566 83.9395 77.2211 -104.154 PRESSAVG: 2851800 9.86467 -19.4968 2.57712 -19.4969 -40.6545 21.4226 2.57721 21.4226 14.984 GPRESSAVG: 2851800 9.06611 -17.3322 2.28853 -20.648 -40.5796 23.1236 0.647994 21.9038 15.3494 TIMING: 2851800 CPU: 8264.53, 0.00288909/step Wall: 8264.53, 0.00288909/step, 1.72398 hours remaining, 209.207031 MB of memory in use. ENERGY: 2851800 716.9084 2140.3262 1975.2601 132.0221 -206048.6018 17729.4205 0.0000 0.0000 34070.2537 -149284.4107 297.5440 -183354.6644 -149186.7933 298.2806 -73.7857 -43.6395 557982.0597 -5.2686 -5.3880 PRESSURE: 2852000 128.446 200.664 -14.6963 200.664 -28.2638 -12.391 -14.6972 -12.3912 -31.6675 GPRESSURE: 2852000 129.723 126.473 -82.2436 179.394 83.027 60.3802 62.3394 82.5588 -45.2613 PRESSAVG: 2852000 -9.10176 -24.2741 26.1392 -24.274 46.8833 0.0744586 26.1392 0.0745413 -53.8585 GPRESSAVG: 2852000 -8.93278 -24.7144 26.1009 -24.4035 45.5067 1.79806 25.7993 -1.15659 -52.8116 TIMING: 2852000 CPU: 8265.1, 0.00289062/step Wall: 8265.1, 0.00289062/step, 1.72473 hours remaining, 209.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2852000 702.0806 2091.4208 1965.0873 126.2276 -206081.5816 17789.3442 0.0000 0.0000 34033.6794 -149373.7417 297.2246 -183407.4211 -149271.9252 298.8518 22.8381 55.8294 557655.2571 -5.3590 -5.4126 PRESSURE: 2852200 129.375 -183.741 33.6423 -183.741 122.702 130.332 33.641 130.332 36.2145 GPRESSURE: 2852200 167.979 -172.085 33.809 -138.993 147.24 105.073 30.9728 149.482 70.3162 PRESSAVG: 2852200 -7.60347 -62.3863 -3.81222 -62.3863 43.6234 -10.7273 -3.81217 -10.7272 40.5602 GPRESSAVG: 2852200 -9.03329 -63.0782 -2.57524 -61.0243 45.2107 -9.98398 -3.85934 -10.0491 39.9403 TIMING: 2852200 CPU: 8265.68, 0.00289223/step Wall: 8265.68, 0.00289223/step, 1.72554 hours remaining, 209.207031 MB of memory in use. ENERGY: 2852200 723.6391 1979.8334 1949.3494 114.6845 -206564.5601 18097.4282 0.0000 0.0000 34296.6581 -149402.9674 299.5212 -183699.6254 -149300.5442 298.5174 96.0974 128.5116 556164.2305 25.5267 25.3726 LDB: ============= START OF LOAD BALANCING ============== 8269.07 LDB: ============== END OF LOAD BALANCING =============== 8269.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8269.07 LDB: ============= START OF LOAD BALANCING ============== 8269.36 LDB: Largest compute 4820 load 0.025347 is 21.5% of average load 0.117855 LDB: Average compute 0.001751 is 1.5% of average load 0.117855 LDB: TIME 8269.36 LOAD: AVG 0.117855 MAX 0.180214 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.32 MB LDB: TIME 8269.36 LOAD: AVG 0.117855 MAX 0.180214 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.562 MB LDB: TIME 8269.36 LOAD: AVG 0.117855 MAX 0.180214 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.562 MB LDB: ============== END OF LOAD BALANCING =============== 8269.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8269.37 PRESSURE: 2852400 -80.8029 -52.9512 2.41097 -52.9517 -214.47 156.984 2.40958 156.983 287.422 GPRESSURE: 2852400 -16.2052 -38.1037 9.4563 -93.7475 -182.583 157.709 57.1782 141.03 277.784 PRESSAVG: 2852400 -43.0515 -28.3532 10.001 -28.3532 -7.70492 25.1892 10.0009 25.1892 52.8852 GPRESSAVG: 2852400 -41.5283 -30.1197 10.7888 -27.4061 -8.71783 25.0022 9.11442 25.6899 52.8952 TIMING: 2852400 CPU: 8266.27, 0.00294347/step Wall: 8266.27, 0.00294347/step, 1.75594 hours remaining, 207.910156 MB of memory in use. ENERGY: 2852400 742.7604 2006.4236 1963.4478 124.1210 -206278.1400 17854.2132 0.0000 0.0000 34233.3572 -149353.8168 298.9684 -183587.1740 -149257.4665 298.7293 -2.6167 26.3320 557773.6937 0.7096 0.8830 PRESSURE: 2852600 -143.967 -4.73428 138 -4.73413 -91.1324 -147.223 138.001 -147.222 -39.0455 GPRESSURE: 2852600 -182.285 18.5915 146.211 -45.5208 -6.9249 -147.78 168.213 -134.423 5.08683 PRESSAVG: 2852600 3.81181 -38.0866 -27.6221 -38.0867 0.239719 17.9069 -27.6221 17.9069 33.9659 GPRESSAVG: 2852600 3.45437 -37.3645 -30.2913 -38.4119 0.489949 18.5359 -25.3101 16.1538 33.7724 TIMING: 2852600 CPU: 8266.85, 0.00288337/step Wall: 8266.85, 0.00288337/step, 1.71993 hours remaining, 207.910156 MB of memory in use. ENERGY: 2852600 768.2487 2059.0895 1937.9120 104.0909 -206057.3231 17624.0045 0.0000 0.0000 34327.6379 -149236.3397 299.7918 -183563.9776 -149131.4955 298.6800 -91.3818 -61.3745 557877.5663 12.6725 12.5722 PRESSURE: 2852800 104.53 -57.5545 80.9938 -57.5547 163.317 -27.8486 80.9935 -27.8498 43.7907 GPRESSURE: 2852800 162.84 -33.2296 110.202 -124.562 167.033 -28.9685 4.16521 -70.258 83.3693 PRESSAVG: 2852800 -101.387 -1.95477 14.9749 -1.95473 51.4962 -12.3868 14.9749 -12.3869 18.3104 GPRESSAVG: 2852800 -101.345 -1.65781 15.9248 -3.30187 52.5442 -11.9793 13.0443 -12.9941 17.3478 TIMING: 2852800 CPU: 8267.43, 0.00290346/step Wall: 8267.43, 0.00290346/step, 1.73175 hours remaining, 207.910156 MB of memory in use. ENERGY: 2852800 746.9193 2076.1373 1964.6977 114.7619 -206375.1456 17952.7350 0.0000 0.0000 34356.0251 -149163.8693 300.0397 -183519.8944 -149065.1506 298.6153 103.8793 137.7475 557358.9372 -10.5269 -10.4844 PRESSURE: 2853000 -248.244 108.802 110.981 108.801 0.696482 12.2454 110.98 12.246 10.2088 GPRESSURE: 2853000 -185.332 79.5422 54.0665 90.5062 9.70598 -48.633 65.0855 24.0836 33.8933 PRESSAVG: 2853000 82.4412 9.09625 -2.12795 9.09624 -58.3533 -7.12069 -2.12797 -7.12085 -52.5418 GPRESSAVG: 2853000 82.601 10.4125 -3.95456 10.1333 -58.6775 -10.6682 -1.61272 -2.49915 -52.2449 TIMING: 2853000 CPU: 8268, 0.0028683/step Wall: 8268, 0.0028683/step, 1.71062 hours remaining, 207.910156 MB of memory in use. ENERGY: 2853000 777.1196 2098.4116 1986.7364 104.7293 -206133.5525 17692.3756 0.0000 0.0000 34291.7137 -149182.4663 299.4781 -183474.1800 -149088.2381 299.4386 -79.1128 -47.2443 557398.5476 -9.4846 -9.4405 PRESSURE: 2853200 -283.928 64.0136 -44.9954 64.0137 -79.0151 66.4004 -44.9938 66.4006 -119.956 GPRESSURE: 2853200 -269.359 130.452 -24.7881 21.2781 -30.4263 88.0311 -25.0267 65.6291 -97.771 PRESSAVG: 2853200 8.68731 -7.24666 34.7984 -7.24659 31.3855 -11.9463 34.7984 -11.9463 -22.8353 GPRESSAVG: 2853200 8.92008 -8.29341 36.1419 -6.99694 30.2103 -9.46693 35.676 -14.2463 -22.5943 TIMING: 2853200 CPU: 8268.58, 0.00287326/step Wall: 8268.58, 0.00287326/step, 1.71342 hours remaining, 207.910156 MB of memory in use. ENERGY: 2853200 728.6068 2114.1534 1963.2145 109.0760 -206240.6723 17728.8176 0.0000 0.0000 34403.0834 -149193.7206 300.4507 -183596.8040 -149096.7117 298.7846 -160.9662 -132.5187 557776.5057 5.7458 5.5120 PRESSURE: 2853400 16.3411 76.3278 8.32788 76.3283 -134.12 88.8871 8.32837 88.8887 -41.4305 GPRESSURE: 2853400 68.6494 79.7046 77.7192 1.3331 -118.339 76.635 -58.9032 66.8342 -4.55663 PRESSAVG: 2853400 -9.12916 -19.782 27.7836 -19.7819 39.7923 31.7061 27.7838 31.7061 -29.2979 GPRESSAVG: 2853400 -9.90081 -18.6633 27.8488 -20.4112 40.6559 29.7077 26.6158 32.0013 -29.2277 TIMING: 2853400 CPU: 8269.15, 0.00288136/step Wall: 8269.15, 0.00288136/step, 1.71809 hours remaining, 207.910156 MB of memory in use. ENERGY: 2853400 768.2391 2064.1242 1971.7709 111.4609 -206193.4349 17694.4254 0.0000 0.0000 34234.8791 -149348.5353 298.9817 -183583.4144 -149257.1924 299.0096 -53.0698 -18.0820 556627.5143 0.4551 0.5091 PRESSURE: 2853600 51.723 0.369052 -121.132 0.369125 -357.079 92.5716 -121.132 92.5713 5.33811 GPRESSURE: 2853600 79.4166 41.1221 -118.368 -18.219 -234.289 74.1097 -148.025 122.722 -29.265 PRESSAVG: 2853600 77.6953 37.8511 -0.367203 37.8511 -3.97091 -37.5164 -0.367111 -37.5164 -78.1812 GPRESSAVG: 2853600 78.4118 38.7457 -0.0517333 37.0361 -3.97316 -36.4292 2.01807 -38.2148 -78.7046 TIMING: 2853600 CPU: 8269.72, 0.00285293/step Wall: 8269.72, 0.00285293/step, 1.70098 hours remaining, 207.910156 MB of memory in use. ENERGY: 2853600 775.7608 2079.8059 1978.0115 115.3511 -206414.4347 17812.1799 0.0000 0.0000 34242.6505 -149410.6750 299.0496 -183653.3255 -149309.3606 299.1855 -100.0059 -61.3792 557757.3416 -1.4856 -1.4220 PRESSURE: 2853800 -7.16698 19.8741 60.3976 19.8741 -132.453 84.5042 60.3954 84.5034 156.638 GPRESSURE: 2853800 11.0811 -94.2559 106.369 17.9722 -26.2053 71.565 77.1405 44.0806 126.095 PRESSAVG: 2853800 43.0529 -6.79055 -25.5198 -6.79051 14.5338 57.6256 -25.5199 57.6256 -74.4175 GPRESSAVG: 2853800 42.909 -9.62947 -26.5243 -4.02081 15.58 56.3021 -26.8202 58.8153 -75.4483 TIMING: 2853800 CPU: 8270.3, 0.0028607/step Wall: 8270.3, 0.0028607/step, 1.70546 hours remaining, 207.910156 MB of memory in use. ENERGY: 2853800 730.4895 2112.5243 1970.7806 111.0851 -206476.3527 17941.9553 0.0000 0.0000 34095.5014 -149514.0165 297.7645 -183609.5179 -149415.5025 298.4384 5.6729 36.9904 560046.6382 -5.6103 -5.6531 PRESSURE: 2854000 -254.409 -18.5956 -117.81 -18.5965 36.0819 20.9258 -117.81 20.9228 -194.113 GPRESSURE: 2854000 -188.438 125.71 -40.3475 -56.2834 -0.540685 -22.2514 -182.123 24.1135 -132.961 PRESSAVG: 2854000 51.4996 46.58 -2.99235 46.5801 -38.0821 -30.645 -2.99242 -30.6451 -14.3512 GPRESSAVG: 2854000 50.441 49.1639 -1.199 42.2699 -38.557 -29.1365 -4.71747 -31.9731 -12.2795 TIMING: 2854000 CPU: 8270.87, 0.00287476/step Wall: 8270.87, 0.00287476/step, 1.71368 hours remaining, 207.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2854000 712.1226 2087.8730 1939.6597 116.9111 -206112.3592 17623.3765 0.0000 0.0000 34204.7228 -149427.6934 298.7184 -183632.4163 -149330.7435 298.8932 -137.4803 -107.3133 558117.0902 -0.3112 -0.1319 PRESSURE: 2854200 -157.539 12.6667 42.078 12.6653 -239.045 -59.637 42.0781 -59.637 -319.185 GPRESSURE: 2854200 -189.101 21.033 81.7907 82.2033 -186.272 22.84 42.0774 -84.049 -244.069 PRESSAVG: 2854200 54.248 -22.6504 -2.32602 -22.6505 -5.9294 16.2132 -2.32597 16.2132 7.87451 GPRESSAVG: 2854200 55.2864 -23.2027 -1.78861 -21.3017 -5.45601 18.3461 -1.56177 17.5105 6.74687 TIMING: 2854200 CPU: 8271.44, 0.00287071/step Wall: 8271.44, 0.00287071/step, 1.7111 hours remaining, 207.910156 MB of memory in use. ENERGY: 2854200 725.0501 2127.7292 1935.8448 107.9135 -205913.1146 17399.6128 0.0000 0.0000 34089.4243 -149527.5400 297.7114 -183616.9644 -149419.4380 298.7614 -238.5897 -206.4804 557304.9285 18.7310 18.8591 PRESSURE: 2854400 134.864 -85.9921 -38.8808 -85.9915 75.1269 37.2717 -38.8802 37.2715 -236.002 GPRESSURE: 2854400 80.1766 -86.567 -81.2058 -154.604 121.186 26.8951 -150.577 60.7837 -137.148 PRESSAVG: 2854400 10.625 -55.4749 -41.4179 -55.4749 44.5418 32.925 -41.4178 32.925 -40.1455 GPRESSAVG: 2854400 9.89194 -56.5341 -43.3531 -54.6672 44.4677 30.7258 -42.1915 32.5212 -39.1649 TIMING: 2854400 CPU: 8272.02, 0.00288873/step Wall: 8272.02, 0.00288873/step, 1.72168 hours remaining, 207.910156 MB of memory in use. ENERGY: 2854400 720.9946 2055.6452 1991.2919 120.9523 -206406.3741 17813.0966 0.0000 0.0000 34151.8825 -149552.5109 298.2569 -183704.3934 -149458.3723 298.5517 -8.6702 21.4050 557627.9721 5.0071 5.0649 PRESSURE: 2854600 74.7817 135.56 143.959 135.56 -66.5339 -54.8917 143.958 -54.8941 -358.779 GPRESSURE: 2854600 91.8986 155.56 220.999 131.295 1.4961 -49.0871 128.468 -12.6974 -367.914 PRESSAVG: 2854600 -28.6333 33.007 68.7498 33.007 -16.4326 5.67401 68.7498 5.67398 28.5372 GPRESSAVG: 2854600 -27.7782 33.8262 68.8867 32.3196 -16.3654 6.82636 70.5707 3.5817 27.4497 TIMING: 2854600 CPU: 8272.6, 0.00288524/step Wall: 8272.6, 0.00288524/step, 1.71944 hours remaining, 207.910156 MB of memory in use. ENERGY: 2854600 751.5839 2059.3544 1943.3110 115.9982 -206210.9912 17529.0421 0.0000 0.0000 34384.3563 -149427.3454 300.2871 -183811.7017 -149326.0567 298.4657 -116.8436 -91.5063 555632.2796 -5.5096 -5.5646 PRESSURE: 2854800 -18.3474 137.32 -137.625 137.321 217.116 -33.6383 -137.626 -33.6386 141.632 GPRESSURE: 2854800 56.8081 128.713 -124.297 182.475 241.209 -79.8817 -179.401 56.3254 145.562 PRESSAVG: 2854800 64.5465 31.789 38.5055 31.789 11.1528 30.5834 38.5054 30.5837 -50.1454 GPRESSAVG: 2854800 64.7541 31.2956 35.8974 32.1508 9.45616 29.7029 38.9192 33.6338 -48.0484 TIMING: 2854800 CPU: 8273.18, 0.00288256/step Wall: 8273.18, 0.00288256/step, 1.71769 hours remaining, 207.910156 MB of memory in use. ENERGY: 2854800 758.1733 2141.2230 1962.0296 112.3886 -206379.0325 18044.0501 0.0000 0.0000 33999.3079 -149361.8599 296.9244 -183361.1679 -149270.5648 298.7368 113.4671 147.8597 557245.6703 8.5180 8.7206 PRESSURE: 2855000 -26.3428 164.007 69.4696 164.006 -243.093 93.852 69.4693 93.8523 -179.526 GPRESSURE: 2855000 -24.8184 185.988 76.0533 198.193 -173.054 69.854 14.8771 164.423 -147.731 PRESSAVG: 2855000 52.1587 28.587 28.4427 28.587 -45.9062 70.5929 28.4428 70.5929 9.53378 GPRESSAVG: 2855000 52.6073 29.0738 32.515 27.7287 -44.736 68.9899 25.976 71.3234 7.96752 TIMING: 2855000 CPU: 8273.75, 0.00289389/step Wall: 8273.75, 0.00289389/step, 1.72428 hours remaining, 207.910156 MB of memory in use. ENERGY: 2855000 760.7820 2088.5368 1923.0927 105.8741 -206269.9308 17729.5514 0.0000 0.0000 34394.0042 -149268.0896 300.3714 -183662.0938 -149160.9734 299.4886 -149.6538 -115.2012 558433.0075 5.2621 5.2796 PRESSURE: 2855200 204.43 0.321249 -18.6297 0.321722 -265.453 18.5523 -18.6296 18.553 21.5493 GPRESSURE: 2855200 237.007 -19.6125 8.76019 5.18576 -188.966 -15.3777 -22.0336 103.271 13.7726 PRESSAVG: 2855200 10.2841 27.1679 -30.9685 27.168 -37.1056 23.4922 -30.9685 23.4921 37.9989 GPRESSAVG: 2855200 9.67153 25.8829 -33.456 27.7524 -37.4966 25.1559 -28.6811 23.1338 39.1406 TIMING: 2855200 CPU: 8274.33, 0.00288679/step Wall: 8274.33, 0.00288679/step, 1.71989 hours remaining, 207.910156 MB of memory in use. ENERGY: 2855200 758.1298 2055.6413 1969.9843 122.9811 -206064.1044 17770.8854 0.0000 0.0000 34120.7945 -149265.6879 297.9854 -183386.4825 -149165.3445 298.9292 -13.1580 20.6045 557717.0078 3.7258 3.7718 PRESSURE: 2855400 33.5705 75.8124 13.9569 75.8122 128.433 200.842 13.9576 200.842 134.019 GPRESSURE: 2855400 85.8217 60.9803 -101.186 56.013 128.347 207.128 89.2573 97.3284 191.241 PRESSAVG: 2855400 -34.0105 17.8732 -7.285 17.8733 -28.2754 -11.6248 -7.28496 -11.6247 -4.30449 GPRESSAVG: 2855400 -34.5741 18.7309 -6.92412 19.2485 -26.9591 -12.4138 -8.73186 -13.462 -5.27674 TIMING: 2855400 CPU: 8274.91, 0.00290554/step Wall: 8274.91, 0.00290554/step, 1.73089 hours remaining, 207.910156 MB of memory in use. ENERGY: 2855400 734.1441 2044.5947 1953.0847 116.4516 -206566.6801 18126.4626 0.0000 0.0000 34288.9747 -149302.9676 299.4541 -183591.9423 -149210.7634 298.5902 98.6739 135.1365 556942.9123 -22.1968 -22.2700 PRESSURE: 2855600 65.041 -73.8181 -179.218 -73.8179 20.3507 -119.838 -179.218 -119.837 -13.2921 GPRESSURE: 2855600 73.1026 -33.0265 -170.711 -38.3775 16.028 -77.7812 -149.785 -132.508 64.264 PRESSAVG: 2855600 -113.889 31.6468 25.285 31.6468 17.0744 -50.8726 25.285 -50.8726 145.975 GPRESSAVG: 2855600 -113.582 31.1815 26.9124 30.918 17.0951 -49.2036 25.0126 -50.5251 145.449 TIMING: 2855600 CPU: 8275.49, 0.00290511/step Wall: 8275.49, 0.00290511/step, 1.73048 hours remaining, 207.910156 MB of memory in use. ENERGY: 2855600 732.5006 2079.9230 1947.7537 112.5331 -206157.0687 17627.5109 0.0000 0.0000 34115.2411 -149541.6064 297.9369 -183656.8474 -149442.9253 298.0672 24.0332 51.1315 556808.8052 16.3869 16.3205 PRESSURE: 2855800 -181.765 37.9893 109.789 37.9889 -365.967 -105.557 109.789 -105.557 -23.4426 GPRESSURE: 2855800 -143.737 -7.91032 115.494 14.7144 -324.403 -169.414 70.567 -49.3297 -0.920695 PRESSAVG: 2855800 -2.50544 15.4601 -28.7157 15.4601 -17.9627 -48.8807 -28.7156 -48.8808 18.3756 GPRESSAVG: 2855800 -1.49341 15.1468 -28.2858 15.6904 -18.5855 -50.3704 -28.8133 -49.5328 17.8972 TIMING: 2855800 CPU: 8276.07, 0.00288386/step Wall: 8276.07, 0.00288386/step, 1.71766 hours remaining, 207.910156 MB of memory in use. ENERGY: 2855800 774.5091 2006.4244 1962.0211 123.4886 -206103.0397 17738.4592 0.0000 0.0000 34029.1040 -149469.0335 297.1846 -183498.1374 -149373.1099 298.2744 -190.3914 -156.3535 558361.2818 -0.6975 -0.7272 PRESSURE: 2856000 -352.103 15.0801 78.0223 15.0811 -285.49 28.9536 78.0232 28.9534 -24.2151 GPRESSURE: 2856000 -332.737 35.7849 61.5481 11.3377 -199.349 -24.9979 115.862 1.41313 -28.2033 PRESSAVG: 2856000 -18.6367 1.51259 25.7121 1.51251 -13.3369 1.69512 25.7122 1.69527 48.0234 GPRESSAVG: 2856000 -19.0863 1.62755 22.7067 -1.14118 -13.5166 1.51496 27.1373 3.48811 48.4679 TIMING: 2856000 CPU: 8276.65, 0.00287029/step Wall: 8276.65, 0.00287029/step, 1.70942 hours remaining, 207.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2856000 768.9015 2163.2740 1951.3725 118.3937 -206452.1420 17714.8256 0.0000 0.0000 34372.2264 -149363.1482 300.1812 -183735.3746 -149272.1486 299.0331 -220.6027 -186.7634 557218.3540 5.3499 5.2883 PRESSURE: 2856200 -338.738 -87.7597 31.3122 -87.7597 24.0709 32.5343 31.3097 32.5343 -80.5972 GPRESSURE: 2856200 -276.003 13.9086 -6.03301 -160.531 43.8594 -7.10684 -45.0636 80.5423 -69.2206 PRESSAVG: 2856200 12.2416 3.58735 30.1739 3.58731 -30.8379 -37.1946 30.174 -37.1947 49.7149 GPRESSAVG: 2856200 12.1041 4.27275 33.0305 4.41139 -31.4901 -35.8842 27.3928 -39.6543 50.1293 TIMING: 2856200 CPU: 8277.22, 0.00285919/step Wall: 8277.22, 0.00285919/step, 1.70265 hours remaining, 207.910156 MB of memory in use. ENERGY: 2856200 803.2707 2119.7271 1978.7908 113.9853 -206175.2080 17615.7515 0.0000 0.0000 34267.3380 -149276.3447 299.2652 -183543.6827 -149181.7252 299.8013 -131.7549 -100.4547 556060.9868 10.3729 10.2477 LDB: ============= START OF LOAD BALANCING ============== 8280.6 LDB: ============== END OF LOAD BALANCING =============== 8280.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8280.6 LDB: ============= START OF LOAD BALANCING ============== 8280.89 LDB: Largest compute 4820 load 0.023114 is 19.6% of average load 0.117932 LDB: Average compute 0.001748 is 1.5% of average load 0.117932 LDB: TIME 8280.89 LOAD: AVG 0.117932 MAX 0.179205 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.492 MB LDB: TIME 8280.89 LOAD: AVG 0.117932 MAX 0.179205 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: TIME 8280.89 LOAD: AVG 0.117932 MAX 0.179205 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: ============== END OF LOAD BALANCING =============== 8280.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8280.9 PRESSURE: 2856400 11.0169 26.3869 48.8107 26.3867 173.361 -69.0927 48.8107 -69.0927 112.521 GPRESSURE: 2856400 50.0097 -85.1793 21.797 44.1681 150.722 -33.14 -21.8308 -97.5842 181.692 PRESSAVG: 2856400 -21.199 5.95919 -20.9163 5.95914 19.9319 -19.2851 -20.9163 -19.2851 22.0355 GPRESSAVG: 2856400 -23.2211 3.7211 -20.7081 7.86948 21.3651 -18.6262 -19.8085 -17.0202 22.5267 TIMING: 2856400 CPU: 8277.8, 0.00293586/step Wall: 8277.8, 0.00293586/step, 1.74814 hours remaining, 208.933594 MB of memory in use. ENERGY: 2856400 741.9563 2146.6923 1962.8616 111.9478 -206557.4642 17931.4079 0.0000 0.0000 34296.9793 -149365.6190 299.5241 -183662.5983 -149269.0557 299.1517 98.9662 127.4745 555385.2525 6.9228 6.8902 PRESSURE: 2856600 106.709 24.87 -41.2169 24.8691 -238.114 74.359 -41.2166 74.3604 -54.9773 GPRESSURE: 2856600 127.461 41.6419 -10.2185 84.2008 -188.732 57.1519 -17.8205 108.693 -33.6435 PRESSAVG: 2856600 3.80287 14.8322 -2.29415 14.8323 -18.1697 -14.7276 -2.29427 -14.7275 -4.37026 GPRESSAVG: 2856600 5.03253 13.9966 -4.11833 14.2855 -18.9638 -14.2621 -1.4622 -16.6816 -4.66544 TIMING: 2856600 CPU: 8278.38, 0.002885/step Wall: 8278.38, 0.002885/step, 1.7177 hours remaining, 208.933594 MB of memory in use. ENERGY: 2856600 742.4543 2116.8244 1953.0377 123.9174 -206060.9698 17660.8508 0.0000 0.0000 34282.0036 -149181.8816 299.3933 -183463.8852 -149090.5193 298.5185 -62.1276 -31.6379 557244.0631 -6.2457 -6.1989 PRESSURE: 2856800 261.979 116.46 103.973 116.459 -105.65 96.3219 103.971 96.324 -108.617 GPRESSURE: 2856800 252.757 125.865 83.4275 25.6768 -33.6948 99.7037 180.991 109.558 -68.727 PRESSAVG: 2856800 103.843 -17.8415 7.86103 -17.8415 -6.25112 -11.8397 7.86095 -11.8396 -84.2885 GPRESSAVG: 2856800 104.88 -13.8831 8.26604 -18.3074 -6.87485 -13.1897 8.24878 -9.93937 -84.7349 TIMING: 2856800 CPU: 8278.95, 0.00285764/step Wall: 8278.95, 0.00285764/step, 1.70125 hours remaining, 208.933594 MB of memory in use. ENERGY: 2856800 742.8063 2088.4567 1958.4420 113.8997 -206362.7489 18043.2499 0.0000 0.0000 34174.0412 -149241.8529 298.4504 -183415.8941 -149144.8582 299.6771 15.9040 50.1118 557995.3324 4.4344 4.4233 PRESSURE: 2857000 -177.072 80.4633 53.2327 80.4642 16.9187 122.295 53.2332 122.295 -118.456 GPRESSURE: 2857000 -58.7458 113.93 73.1665 146.823 -4.69285 -1.26749 82.7371 156.2 -122.621 PRESSAVG: 2857000 44.3071 -12.3355 19.3462 -12.3355 27.7931 -18.8527 19.3461 -18.8526 -56.9738 GPRESSAVG: 2857000 42.6669 -16.9957 20.7171 -9.68658 29.1094 -18.1085 16.7259 -19.9531 -56.9108 TIMING: 2857000 CPU: 8279.53, 0.00288013/step Wall: 8279.53, 0.00288013/step, 1.71448 hours remaining, 208.933594 MB of memory in use. ENERGY: 2857000 757.0621 2051.2668 1971.5135 110.4997 -206189.2969 17829.8710 0.0000 0.0000 34093.9802 -149375.1036 297.7512 -183469.0838 -149279.8915 298.7797 -92.8699 -62.0199 557586.8995 5.0422 4.9552 PRESSURE: 2857200 -319.653 -62.3423 -16.0147 -62.3423 -261.18 162.42 -16.0156 162.419 -235.106 GPRESSURE: 2857200 -270.32 -33.4179 26.1827 -116.959 -246.117 254.803 35.8712 193.199 -201.314 PRESSAVG: 2857200 2.22024 -23.9697 -6.70958 -23.9698 50.982 93.4129 -6.70961 93.4128 -57.1002 GPRESSAVG: 2857200 3.42894 -22.6625 -7.34892 -26.4924 49.83 91.7305 -7.66288 92.6514 -57.9281 TIMING: 2857200 CPU: 8280.11, 0.00288361/step Wall: 8280.11, 0.00288361/step, 1.71639 hours remaining, 208.933594 MB of memory in use. ENERGY: 2857200 763.9242 2027.0054 1937.1282 97.5250 -205919.5739 17441.2234 0.0000 0.0000 34207.9621 -149444.8056 298.7466 -183652.7677 -149346.1512 298.4917 -271.9799 -239.2502 557774.6779 -1.2993 -1.5564 PRESSURE: 2857400 -101.441 12.5977 -60.4016 12.5981 -31.35 19.4475 -60.4007 19.4479 43.4038 GPRESSURE: 2857400 -60.4035 40.1154 -33.8674 -37.62 -33.1232 -30.1363 -60.6927 39.411 106.841 PRESSAVG: 2857400 -31.6643 19.3607 45.3863 19.3608 38.9541 -25.7693 45.3863 -25.7692 -37.6464 GPRESSAVG: 2857400 -31.6681 20.4302 46.2295 19.539 38.5993 -25.077 48.1503 -23.726 -36.9858 TIMING: 2857400 CPU: 8280.68, 0.0028715/step Wall: 8280.68, 0.0028715/step, 1.70902 hours remaining, 208.933594 MB of memory in use. ENERGY: 2857400 764.8505 2042.8395 1994.2805 124.2639 -206203.3520 17718.6278 0.0000 0.0000 34250.1082 -149308.3815 299.1147 -183558.4897 -149216.3346 298.7821 -29.7956 4.4380 554622.1246 -10.1189 -10.0182 PRESSURE: 2857600 -4.831 -15.8883 191.644 -15.8885 -237.574 -134.926 191.643 -134.926 -173.414 GPRESSURE: 2857600 0.757755 -87.9953 169.611 86.3252 -173.484 -120.033 157.862 -126.732 -134.83 PRESSAVG: 2857600 53.6398 -22.3053 19.252 -22.3052 -17.6482 74.0578 19.2519 74.0578 -43.2689 GPRESSAVG: 2857600 52.2033 -22.2203 19.8943 -21.933 -15.9658 74.5771 16.3082 73.1396 -43.4937 TIMING: 2857600 CPU: 8281.26, 0.00287598/step Wall: 8281.26, 0.00287598/step, 1.71153 hours remaining, 208.933594 MB of memory in use. ENERGY: 2857600 713.6794 2142.4543 1931.4689 119.9027 -205946.7112 17634.8210 0.0000 0.0000 34278.3866 -149125.9982 299.3617 -183404.3847 -149024.3970 299.0295 -138.6062 -102.5188 557090.3053 -2.4258 -2.4187 PRESSURE: 2857800 -230.803 -117.4 101.197 -117.4 -134.102 -75.5085 101.197 -75.5083 -36.2478 GPRESSURE: 2857800 -182.732 -37.4953 139.869 -43.1457 -82.5914 -130.704 123.252 -119.801 -45.9335 PRESSAVG: 2857800 80.6228 -17.8391 59.8581 -17.8391 -48.1274 53.6649 59.8581 53.6649 -0.063678 GPRESSAVG: 2857800 83.2207 -18.2322 58.5394 -16.7486 -49.7491 52.8461 63.5155 51.5091 -0.535386 TIMING: 2857800 CPU: 8281.83, 0.00287505/step Wall: 8281.83, 0.00287505/step, 1.71081 hours remaining, 208.933594 MB of memory in use. ENERGY: 2857800 736.7114 2137.5289 1948.3520 126.1139 -205948.1874 17531.1008 0.0000 0.0000 34364.1851 -149104.1953 300.1110 -183468.3804 -149001.6470 299.4632 -133.7176 -103.7524 558685.3916 10.8106 10.9787 PRESSURE: 2858000 -81.7421 65.6863 82.2485 65.6858 97.0201 -108.719 82.2487 -108.719 21.1938 GPRESSURE: 2858000 -28.2572 11.2111 45.1778 73.3313 117.237 -54.7809 110.952 -155.903 46.5679 PRESSAVG: 2858000 -15.1801 -12.5552 53.8539 -12.5552 45.1215 -13.3893 53.8539 -13.3893 -46.6341 GPRESSAVG: 2858000 -15.9449 -13.8826 53.8211 -13.2178 45.3641 -12.4777 52.5914 -12.098 -46.5368 TIMING: 2858000 CPU: 8282.4, 0.00285919/step Wall: 8282.4, 0.00285919/step, 1.70122 hours remaining, 208.933594 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: 2858000 743.3546 2061.1910 1956.2818 127.9024 -206010.0651 17731.5908 0.0000 0.0000 34130.6361 -149259.1082 298.0713 -183389.7443 -149161.4014 298.8260 12.1573 45.1826 559151.1298 -5.5642 -5.7059 PRESSURE: 2858200 -67.2291 -63.253 230.534 -63.2533 13.118 -52.7538 230.534 -52.7542 10.5886 GPRESSURE: 2858200 -42.3443 16.5901 261.853 -53.4709 -28.9856 -40.3236 161.091 -28.7042 135.898 PRESSAVG: 2858200 -9.18322 -5.82808 67.5667 -5.82816 -10.0207 3.93803 67.5666 3.93804 -13.9659 GPRESSAVG: 2858200 -10.3964 -4.16993 66.1167 -7.07283 -8.97559 1.6748 66.3303 4.9324 -14.2942 TIMING: 2858200 CPU: 8282.98, 0.00288671/step Wall: 8282.98, 0.00288671/step, 1.71743 hours remaining, 208.933594 MB of memory in use. ENERGY: 2858200 767.8374 2016.6892 1976.3375 107.6913 -206195.0755 17912.5647 0.0000 0.0000 34114.9032 -149299.0522 297.9339 -183413.9554 -149204.3181 298.4484 -14.5075 21.5226 558826.3506 -11.0566 -11.2221 PRESSURE: 2858400 8.33945 -17.7029 58.4504 -17.7042 -89.2972 229.504 58.4502 229.504 -184.742 GPRESSURE: 2858400 -58.2351 -37.204 55.4305 59.8772 -39.0935 291.373 7.31511 248.548 -85.7313 PRESSAVG: 2858400 -12.142 1.51077 86.1675 1.51079 17.5053 36.4326 86.1674 36.4326 0.736001 GPRESSAVG: 2858400 -12.3557 2.08289 87.9422 1.25888 16.5942 38.0498 86.5782 33.4895 0.873954 TIMING: 2858400 CPU: 8283.56, 0.00288456/step Wall: 8283.56, 0.00288456/step, 1.716 hours remaining, 208.933594 MB of memory in use. ENERGY: 2858400 748.4172 2116.8809 1935.4820 110.9239 -205957.6134 17724.6135 0.0000 0.0000 34009.0044 -149312.2915 297.0091 -183321.2960 -149213.5145 299.1628 -88.5666 -61.0200 558748.4330 2.0331 1.7041 PRESSURE: 2858600 -36.2858 -7.77191 70.5349 -7.76976 -232.893 87.0151 70.5361 87.0174 -363.95 GPRESSURE: 2858600 -61.8336 -5.67953 65.9965 -8.52603 -154.184 79.4169 74.6088 88.21 -328.805 PRESSAVG: 2858600 -31.5763 -35.1521 32.9874 -35.1521 9.14873 54.705 32.9874 54.705 43.6171 GPRESSAVG: 2858600 -31.5606 -37.9655 30.6363 -33.8416 9.0565 53.4969 35.0482 57.3547 43.6037 TIMING: 2858600 CPU: 8284.14, 0.00289991/step Wall: 8284.14, 0.00289991/step, 1.72497 hours remaining, 208.933594 MB of memory in use. ENERGY: 2858600 781.4045 2062.2244 1960.9503 112.6822 -206410.3686 17766.2598 0.0000 0.0000 34247.0260 -149479.8214 299.0878 -183726.8474 -149381.8589 299.1096 -211.0429 -181.6077 558581.8737 7.0632 7.0332 PRESSURE: 2858800 194.036 -175.964 16.952 -175.966 -107.317 -36.9785 16.9523 -36.9783 -75.1245 GPRESSURE: 2858800 216.241 -130.311 58.0707 -129.761 -96.722 -61.4899 -10.5427 21.2405 -18.6791 PRESSAVG: 2858800 64.313 -76.7879 50.6177 -76.788 -75.2402 42.6639 50.6176 42.6638 -28.139 GPRESSAVG: 2858800 64.2141 -75.1737 53.1136 -76.7068 -74.4502 44.7454 49.7074 43.2752 -29.2238 TIMING: 2858800 CPU: 8284.72, 0.00290157/step Wall: 8284.72, 0.00290157/step, 1.72579 hours remaining, 208.933594 MB of memory in use. ENERGY: 2858800 731.9333 2002.5758 1941.7723 112.4339 -206247.5092 17729.1734 0.0000 0.0000 34197.7073 -149531.9131 298.6571 -183729.6204 -149431.4002 298.9015 3.8649 33.6133 556762.8706 -13.0221 -13.1533 PRESSURE: 2859000 221.008 29.9249 -141.023 29.9245 19.2734 46.09 -141.022 46.0889 -2.93842 GPRESSURE: 2859000 223.293 -11.6984 -140.232 64.01 58.695 -48.6582 -36.7879 25.2403 58.0808 PRESSAVG: 2859000 42.9638 18.1453 50.6893 18.1452 11.1719 -12.4936 50.6893 -12.4937 -42.6771 GPRESSAVG: 2859000 42.6878 16.6464 47.9404 17.736 10.3232 -13.8237 51.4805 -14.8728 -41.3262 TIMING: 2859000 CPU: 8285.29, 0.00287999/step Wall: 8285.29, 0.00287999/step, 1.71279 hours remaining, 208.933594 MB of memory in use. ENERGY: 2859000 735.1283 2044.8236 1955.0921 117.8235 -206345.4649 17829.4763 0.0000 0.0000 34299.5712 -149363.5500 299.5467 -183663.1211 -149267.6834 298.8743 79.1142 113.3562 557036.8710 3.8195 3.8949 PRESSURE: 2859200 -440.924 -121.271 -155.359 -121.272 -338.501 199.183 -155.359 199.183 -344.781 GPRESSURE: 2859200 -359.155 -132.282 -150.707 -75.8948 -318.735 230.942 -124.491 142.811 -337.202 PRESSAVG: 2859200 2.30214 33.7356 20.0557 33.7356 -4.66452 4.53736 20.0557 4.53742 3.75536 GPRESSAVG: 2859200 3.74348 37.012 21.3244 33.2593 -5.04749 4.03643 19.8006 5.04994 2.78179 TIMING: 2859200 CPU: 8285.87, 0.00291027/step Wall: 8285.87, 0.00291027/step, 1.73064 hours remaining, 208.933594 MB of memory in use. ENERGY: 2859200 773.3452 2069.6104 1942.9846 109.2821 -205724.7178 17194.9424 0.0000 0.0000 34224.5747 -149409.9783 298.8917 -183634.5531 -149319.3509 299.0365 -374.7355 -338.3638 557663.4880 0.4643 0.4926 PRESSURE: 2859400 -139.345 -82.0608 -52.6144 -82.0605 -187.327 -221.022 -52.6149 -221.022 -72.0098 GPRESSURE: 2859400 -60.5057 -103.658 -67.7294 -124.326 -171.266 -233.063 -71.8281 -124.963 -68.7769 PRESSAVG: 2859400 -42.5843 -24.5406 -3.24577 -24.5405 -9.9975 32.4617 -3.24582 32.4617 22.0674 GPRESSAVG: 2859400 -42.7198 -27.0339 -3.79309 -25.9583 -9.2616 34.9472 -3.14456 32.7055 21.3547 TIMING: 2859400 CPU: 8286.45, 0.00288744/step Wall: 8286.45, 0.00288744/step, 1.71691 hours remaining, 208.933594 MB of memory in use. ENERGY: 2859400 754.2172 2031.3731 1938.8310 107.9057 -206024.7146 17570.7926 0.0000 0.0000 34155.5414 -149466.0536 298.2888 -183621.5949 -149368.1542 298.8640 -132.8940 -100.1827 555889.5748 -10.1714 -10.2089 PRESSURE: 2859600 39.8344 -25.3648 74.1727 -25.3656 69.6909 24.1777 74.1741 24.1779 172.207 GPRESSURE: 2859600 115.994 26.9546 27.4624 -54.0889 88.9499 28.664 143.695 18.1688 175.39 PRESSAVG: 2859600 51.0132 -17.5972 -2.99148 -17.5973 -10.2883 -30.1212 -2.99154 -30.1212 -16.8249 GPRESSAVG: 2859600 50.9795 -16.8791 -1.31713 -15.9111 -9.53842 -32.0289 -2.5552 -31.2666 -17.0482 TIMING: 2859600 CPU: 8287.03, 0.00287047/step Wall: 8287.03, 0.00287047/step, 1.70665 hours remaining, 208.933594 MB of memory in use. ENERGY: 2859600 741.1604 2063.1208 1943.1602 116.1131 -206581.5442 17992.4528 0.0000 0.0000 34138.5859 -149586.9511 298.1408 -183725.5370 -149489.0569 298.3734 93.9106 126.7782 557023.0726 7.9667 8.1309 PRESSURE: 2859800 -24.6841 -42.5186 -3.97046 -42.5182 256.971 -159.36 -3.97083 -159.361 105.89 GPRESSURE: 2859800 45.7453 -34.2527 -25.0522 14.8289 275.966 -123.313 26.6644 -204.578 124.437 PRESSAVG: 2859800 -3.88119 17.8913 19.1005 17.8913 -35.63 -9.88783 19.1005 -9.88794 -0.644233 GPRESSAVG: 2859800 -3.66763 17.0066 18.8618 19.1256 -36.5223 -10.0515 16.3481 -9.30551 0.029627 TIMING: 2859800 CPU: 8287.6, 0.00289275/step Wall: 8287.6, 0.00289275/step, 1.71974 hours remaining, 208.933594 MB of memory in use. ENERGY: 2859800 775.7810 2092.3551 1940.1265 111.4465 -206850.4769 18070.5128 0.0000 0.0000 34240.3511 -149619.9038 299.0295 -183860.2549 -149523.1302 298.4185 112.7257 148.7159 556077.3531 -13.3851 -13.3868 PRESSURE: 2860000 -191.665 81.4111 -53.392 81.4107 65.7394 -3.00573 -53.3922 -3.00437 18.6703 GPRESSURE: 2860000 -104.589 -5.74267 -111.39 99.0645 54.8811 -25.5263 90.6086 0.754862 49.4847 PRESSAVG: 2860000 1.76724 59.1709 26.4219 59.1709 -44.2648 -72.6221 26.4219 -72.6223 84.6834 GPRESSAVG: 2860000 1.36945 58.0475 26.2989 59.9172 -42.6123 -73.3116 26.6628 -71.4964 84.0321 TIMING: 2860000 CPU: 8288.18, 0.00289636/step Wall: 8288.18, 0.00289636/step, 1.72172 hours remaining, 208.933594 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: 2860000 750.0544 2090.2424 1960.7983 114.4915 -206447.6573 17830.2857 0.0000 0.0000 34046.7122 -149655.0727 297.3384 -183701.7849 -149560.6685 298.8218 -35.7518 -0.0743 556463.4637 14.0619 14.2631 PRESSURE: 2860200 149.58 0.338066 77.5677 0.338689 -32.141 53.3541 77.5675 53.355 75.0751 GPRESSURE: 2860200 85.4652 69.4758 52.0634 -62.6893 43.5547 44.5733 34.1141 67.0955 160.888 PRESSAVG: 2860200 -61.6496 8.2488 -26.4383 8.24891 27.2473 -30.0693 -26.4384 -30.0692 38.7685 GPRESSAVG: 2860200 -60.3893 9.30832 -26.8329 6.02066 25.6547 -28.9915 -25.7662 -31.5115 39.8445 TIMING: 2860200 CPU: 8288.76, 0.00289796/step Wall: 8288.76, 0.00289797/step, 1.72252 hours remaining, 208.933594 MB of memory in use. ENERGY: 2860200 699.4179 2156.2317 1938.0683 121.8740 -206456.3034 17846.6503 0.0000 0.0000 34191.7143 -149502.3470 298.6047 -183694.0613 -149409.3007 298.6932 64.1715 96.6361 557433.4358 1.4554 1.7033 LDB: ============= START OF LOAD BALANCING ============== 8292.15 LDB: ============== END OF LOAD BALANCING =============== 8292.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8292.15 LDB: ============= START OF LOAD BALANCING ============== 8292.44 LDB: Largest compute 4800 load 0.023832 is 20.2% of average load 0.117966 LDB: Average compute 0.001745 is 1.5% of average load 0.117966 LDB: TIME 8292.45 LOAD: AVG 0.117966 MAX 0.178675 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.805 MB LDB: TIME 8292.45 LOAD: AVG 0.117966 MAX 0.178675 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.809 MB LDB: TIME 8292.45 LOAD: AVG 0.117966 MAX 0.178675 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.809 MB LDB: ============== END OF LOAD BALANCING =============== 8292.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8292.45 PRESSURE: 2860400 -161.106 -139.048 -31.4174 -139.048 -245.45 39.1243 -31.4179 39.1224 -3.9023 GPRESSURE: 2860400 -97.8966 -157.954 6.90359 -66.9337 -170.55 40.7988 -50.5558 67.1892 -41.114 PRESSAVG: 2860400 70.1191 11.4577 44.8484 11.4576 -78.9882 -67.6216 44.8485 -67.6216 -13.9133 GPRESSAVG: 2860400 69.3601 12.5014 44.2662 10.7537 -79.1183 -69.6689 44.5618 -65.9254 -13.3619 TIMING: 2860400 CPU: 8289.36, 0.00296513/step Wall: 8289.36, 0.00296513/step, 1.76227 hours remaining, 209.261719 MB of memory in use. ENERGY: 2860400 729.7600 2082.1883 1961.3712 109.4926 -205998.6111 17496.6848 0.0000 0.0000 34301.2974 -149317.8168 299.5618 -183619.1143 -149219.7907 298.7227 -136.8195 -103.1868 558179.6117 -7.5941 -7.7067 PRESSURE: 2860600 253.368 61.3912 -104.359 61.3904 -29.2027 -38.696 -104.358 -38.6967 63.2433 GPRESSURE: 2860600 275.376 -25.7498 -37.8496 70.833 -10.3629 -22.5847 -115.419 -109.592 113.21 PRESSAVG: 2860600 66.8067 49.7264 4.98904 49.7264 -8.60885 -19.6002 4.98899 -19.6002 -59.2027 GPRESSAVG: 2860600 65.8831 49.5833 4.87532 51.2925 -6.38 -20.4659 5.51389 -19.8609 -60.466 TIMING: 2860600 CPU: 8289.93, 0.00289155/step Wall: 8289.93, 0.00289155/step, 1.71839 hours remaining, 209.261719 MB of memory in use. ENERGY: 2860600 750.3894 2118.7544 1949.9283 126.6248 -206418.9046 17970.0274 0.0000 0.0000 34075.9901 -149427.1903 297.5941 -183503.1804 -149336.4806 298.9286 95.8030 126.0745 557517.5345 -0.3350 -0.3210 PRESSURE: 2860800 181.492 -27.1954 20.8227 -27.1945 67.0129 -8.76088 20.8224 -8.76032 -49.1769 GPRESSURE: 2860800 223.921 -34.9641 -27.069 53.0445 130.752 -87.376 0.526864 50.8412 -43.4074 PRESSAVG: 2860800 -8.95247 -14.3017 -10.2062 -14.3018 19.0446 -15.913 -10.2063 -15.9131 -7.43618 GPRESSAVG: 2860800 -8.78503 -14.6983 -9.13054 -14.633 19.3277 -15.1518 -12.8604 -17.0513 -7.45678 TIMING: 2860800 CPU: 8290.51, 0.00289909/step Wall: 8290.51, 0.00289909/step, 1.72271 hours remaining, 209.261719 MB of memory in use. ENERGY: 2860800 694.9997 2125.1826 1926.9036 112.2943 -206270.5273 17888.5212 0.0000 0.0000 34349.7819 -149172.8440 299.9852 -183522.6258 -149084.6371 298.6423 66.4425 103.7552 557512.3415 0.8853 1.0286 PRESSURE: 2861000 275.572 57.9565 -2.62934 57.9561 133.348 9.46165 -2.63036 9.46168 97.887 GPRESSURE: 2861000 341.213 147.556 45.0015 -31.8187 124.097 45.3283 -34.2314 23.0677 144.472 PRESSAVG: 2861000 61.894 5.62021 -25.1412 5.62017 -32.0533 19.9715 -25.1412 19.9715 -37.1782 GPRESSAVG: 2861000 63.2134 6.03519 -26.1697 5.40539 -34.4239 19.3543 -22.4617 19.5978 -35.6751 TIMING: 2861000 CPU: 8291.1, 0.00291827/step Wall: 8291.1, 0.00291827/step, 1.73394 hours remaining, 209.261719 MB of memory in use. ENERGY: 2861000 727.2368 2021.4499 1926.1465 99.4331 -206623.7413 18162.5723 0.0000 0.0000 34505.4412 -149181.4614 301.3446 -183686.9026 -149077.1643 299.3305 168.9356 203.2606 557678.2246 -2.4458 -2.2952 PRESSURE: 2861200 149.68 43.2338 123.54 43.2331 284.721 56.1146 123.539 56.1152 160.419 GPRESSURE: 2861200 186.091 62.5781 106.911 40.2945 278.944 -30.4926 107.42 100.317 215.022 PRESSAVG: 2861200 43.6343 -21.1935 9.46134 -21.1935 -10.811 45.6463 9.46124 45.6463 -34.8977 GPRESSAVG: 2861200 42.7442 -21.9325 10.6239 -21.6786 -8.79392 45.2441 9.07855 47.7018 -35.7906 TIMING: 2861200 CPU: 8291.68, 0.00289373/step Wall: 8291.68, 0.00289373/step, 1.7192 hours remaining, 209.261719 MB of memory in use. ENERGY: 2861200 702.5173 2082.8992 1958.4110 125.9694 -206460.5588 18140.8362 0.0000 0.0000 34291.4604 -149158.4654 299.4759 -183449.9258 -149067.5221 299.2916 198.2733 226.6858 557631.6963 -0.6915 -0.6134 PRESSURE: 2861400 -27.0195 -47.0993 -1.17443 -47.0992 291.646 -69.9307 -1.17375 -69.9304 -6.30204 GPRESSURE: 2861400 2.68156 -28.7392 33.9737 -60.9097 275.087 -48.2557 78.7895 -128.287 76.3776 PRESSAVG: 2861400 -63.6896 -11.9901 20.7747 -11.99 -8.40214 20.4273 20.7747 20.4273 34.6419 GPRESSAVG: 2861400 -63.4713 -11.3267 20.3655 -12.7399 -8.93822 22.8401 20.6657 18.3862 34.555 TIMING: 2861400 CPU: 8292.26, 0.00292536/step Wall: 8292.26, 0.00292536/step, 1.73783 hours remaining, 209.261719 MB of memory in use. ENERGY: 2861400 754.6888 2096.4278 1961.9080 117.3804 -206345.0688 17928.4964 0.0000 0.0000 34221.8948 -149264.2727 298.8683 -183486.1675 -149173.8254 299.7284 86.1081 118.0487 557892.2270 -12.4833 -12.6182 PRESSURE: 2861600 -270.401 16.129 -27.0811 16.1288 36.6254 -167.941 -27.0811 -167.942 69.576 GPRESSURE: 2861600 -224.378 9.29161 -9.10188 -46.9018 72.2173 -99.3339 -121.85 -213.63 86.4816 PRESSAVG: 2861600 -27.8733 11.6157 35.5099 11.6157 15.2319 -45.1306 35.5099 -45.1305 26.4158 GPRESSAVG: 2861600 -27.7735 10.1862 34.5076 13.853 14.505 -45.3275 36.4973 -44.7168 26.7836 TIMING: 2861600 CPU: 8292.85, 0.00292038/step Wall: 8292.85, 0.00292038/step, 1.73471 hours remaining, 209.261719 MB of memory in use. ENERGY: 2861600 772.9444 2077.6941 1983.3589 106.5828 -206042.3594 17572.0956 0.0000 0.0000 34408.7045 -149120.9792 300.4998 -183529.6837 -149029.9666 299.4299 -54.7333 -21.8931 556271.4857 4.5915 4.5050 PRESSURE: 2861800 155.392 -64.9937 127.659 -64.9945 -113.224 42.3608 127.657 42.3591 -181.405 GPRESSURE: 2861800 170.623 -70.7023 181.774 -28.1119 -114.472 53.2492 131.819 -40.5522 -108.276 PRESSAVG: 2861800 23.4363 79.0924 -5.99628 79.0924 -59.0848 14.9723 -5.99627 14.9724 12.1775 GPRESSAVG: 2861800 21.7375 82.0476 -5.75442 78.1122 -58.1536 14.3492 -6.10502 13.7561 12.5948 TIMING: 2861800 CPU: 8293.44, 0.00295318/step Wall: 8293.44, 0.00295318/step, 1.75402 hours remaining, 209.261719 MB of memory in use. ENERGY: 2861800 689.4280 2054.7170 1984.5034 106.2995 -205921.8964 17673.1332 0.0000 0.0000 34249.2465 -149164.5689 299.1072 -183413.8154 -149059.2582 299.8382 -46.4123 -17.3751 557794.2112 -7.8237 -7.9404 PRESSURE: 2862000 -166.792 -47.5648 -8.23427 -47.566 -345.018 201.158 -8.23481 201.16 -291.901 GPRESSURE: 2862000 -157.058 -92.6011 22.7101 -17.2189 -354.655 170.766 -55.3943 190.362 -188.155 PRESSAVG: 2862000 -73.317 -6.92589 49.229 -6.92589 -40.7946 -22.9213 49.2291 -22.9212 41.9601 GPRESSAVG: 2862000 -71.3255 -6.83635 49.9105 -7.53201 -42.2694 -23.7372 49.2917 -21.9486 41.8524 TIMING: 2862000 CPU: 8294.02, 0.00293364/step Wall: 8294.02, 0.00293364/step, 1.74226 hours remaining, 209.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2862000 781.5398 2085.0293 1955.7387 103.7470 -205801.1490 17418.8361 0.0000 0.0000 34213.0370 -149243.2212 298.7910 -183456.2582 -149143.0338 299.3554 -267.9037 -233.2890 557170.7196 -24.0505 -23.9142 PRESSURE: 2862200 -307.107 -58.8771 -153.855 -58.8771 -246.348 13.7407 -153.856 13.7385 24.4084 GPRESSURE: 2862200 -242.546 41.9983 -199.653 -94.8102 -243.745 26.012 -101.33 -12.0248 56.5687 PRESSAVG: 2862200 -31.9911 25.7253 -14.9058 25.7255 -18.5193 19.475 -14.9059 19.475 28.0363 GPRESSAVG: 2862200 -33.3554 23.775 -16.2543 26.7334 -17.8081 18.4264 -14.3678 21.2256 28.8315 TIMING: 2862200 CPU: 8294.61, 0.0029197/step Wall: 8294.61, 0.0029197/step, 1.73381 hours remaining, 209.261719 MB of memory in use. ENERGY: 2862200 751.6876 2060.4518 1959.2601 111.7493 -206053.2089 17743.0034 0.0000 0.0000 34186.9367 -149240.1200 298.5630 -183427.0568 -149138.7105 298.6913 -176.3490 -143.2407 559642.5545 -7.4914 -7.4440 PRESSURE: 2862400 -40.7743 53.0514 20.7884 53.053 -21.2919 -139.972 20.788 -139.971 181.08 GPRESSURE: 2862400 11.0459 97.6942 114.474 128.496 21.208 -174.485 -7.55193 -111.104 176.01 PRESSAVG: 2862400 -63.9726 35.0835 19.6154 35.0835 17.6734 -9.80093 19.6154 -9.80098 59.9954 GPRESSAVG: 2862400 -63.3077 33.177 20.0543 35.1845 18.5092 -7.57979 17.736 -11.0577 58.3803 TIMING: 2862400 CPU: 8295.19, 0.00290695/step Wall: 8295.19, 0.00290695/step, 1.72608 hours remaining, 209.261719 MB of memory in use. ENERGY: 2862400 763.6977 2130.4810 1953.6400 113.6496 -206331.4989 17850.9884 0.0000 0.0000 34364.7577 -149154.2845 300.1160 -183519.0422 -149060.7760 299.6068 39.6713 69.4214 557351.9664 4.5654 4.5273 PRESSURE: 2862600 -263.551 -4.68488 -22.5349 -4.68594 35.4871 -43.8393 -22.5349 -43.8391 -115.197 GPRESSURE: 2862600 -222.335 -28.4729 -12.8334 -18.0241 64.302 -13.4399 -28.8916 -71.5935 -90.7687 PRESSAVG: 2862600 -106.648 61.9874 37.5388 61.9873 16.8375 -29.2046 37.5387 -29.2045 112.304 GPRESSAVG: 2862600 -106.899 63.9367 37.8751 59.9246 16.8183 -29.605 36.7617 -27.8053 112.981 TIMING: 2862600 CPU: 8295.78, 0.00293191/step Wall: 8295.78, 0.00293191/step, 1.74074 hours remaining, 209.261719 MB of memory in use. ENERGY: 2862600 745.4541 2084.2077 1937.1453 103.0214 -205950.7382 17706.3010 0.0000 0.0000 34152.9270 -149221.6816 298.2660 -183374.6086 -149124.8687 299.1593 -114.4202 -82.9340 559575.3055 7.4978 7.6336 PRESSURE: 2862800 -66.0144 196.909 9.03899 196.909 -106.461 -22.8402 9.03919 -22.8419 48.8992 GPRESSURE: 2862800 -4.11134 209.154 47.8272 160.381 -56.0224 -7.26576 4.71106 2.89586 25.4634 PRESSAVG: 2862800 -90.3101 9.96233 -13.3607 9.96236 42.5603 -21.2407 -13.3607 -21.2407 52.6978 GPRESSAVG: 2862800 -89.873 9.9487 -12.7796 12.7299 42.3322 -22.4201 -13.3168 -23.1011 52.6203 TIMING: 2862800 CPU: 8296.36, 0.00291425/step Wall: 8296.36, 0.00291425/step, 1.73009 hours remaining, 209.261719 MB of memory in use. ENERGY: 2862800 725.3381 2055.5943 1986.9757 106.9096 -206447.9861 18062.4321 0.0000 0.0000 34254.2161 -149256.5203 299.1506 -183510.7364 -149166.6676 298.8388 -41.1921 -11.5568 559888.4296 1.6493 1.6932 PRESSURE: 2863000 77.6849 6.19443 10.3638 6.19443 371.009 52.092 10.3628 52.0915 463.141 GPRESSURE: 2863000 164.914 59.8586 52.1271 45.652 345.954 -44.7831 -1.79286 146.095 481.808 PRESSAVG: 2863000 7.33885 -5.54422 -10.4814 -5.54416 58.6086 -23.0403 -10.4813 -23.0402 -33.0398 GPRESSAVG: 2863000 7.44746 -5.49746 -9.08652 -6.26739 57.6181 -21.6645 -9.25882 -22.4715 -33.2957 TIMING: 2863000 CPU: 8296.94, 0.00291404/step Wall: 8296.94, 0.00291404/step, 1.72981 hours remaining, 209.261719 MB of memory in use. ENERGY: 2863000 705.8287 2093.9118 1986.5870 118.2748 -206794.8567 18351.0408 0.0000 0.0000 34328.8605 -149210.3531 299.8025 -183539.2136 -149117.9001 298.7839 303.9448 330.8918 558001.6799 10.9692 10.5899 PRESSURE: 2863200 -37.6923 73.8513 28.6873 73.8513 -167.344 -37.8511 28.6875 -37.8507 -75.5507 GPRESSURE: 2863200 -39.2295 37.5414 -35.0576 189 -70.0681 -15.8346 16.7605 -62.759 -70.9503 PRESSAVG: 2863200 43.1542 -0.635736 7.83229 -0.635718 -7.00981 3.99107 7.83233 3.99111 -33.7563 GPRESSAVG: 2863200 43.2362 -1.08391 8.87592 -0.329611 -6.51255 2.80642 5.1528 3.65458 -33.8776 TIMING: 2863200 CPU: 8297.52, 0.00291751/step Wall: 8297.52, 0.00291751/step, 1.73171 hours remaining, 209.261719 MB of memory in use. ENERGY: 2863200 721.2887 2080.5814 1951.3354 110.8326 -206332.5621 17898.6059 0.0000 0.0000 34182.8556 -149387.0626 298.5274 -183569.9181 -149291.6143 299.3989 -93.5289 -60.0826 559309.3852 0.7960 0.9487 PRESSURE: 2863400 -239.924 150.481 -136.032 150.481 -98.4591 180.2 -136.033 180.2 -203.242 GPRESSURE: 2863400 -195.341 163.303 -109.209 205.923 -78.1714 148.521 -164.937 216.98 -165.36 PRESSAVG: 2863400 45.5258 80.987 -19.8141 80.987 1.21944 -11.7546 -19.814 -11.7546 -37.4862 GPRESSAVG: 2863400 45.7255 81.6827 -21.8109 82.9907 1.13862 -10.4554 -18.0414 -11.0445 -37.24 TIMING: 2863400 CPU: 8298.1, 0.00288361/step Wall: 8298.1, 0.00288361/step, 1.71142 hours remaining, 209.261719 MB of memory in use. ENERGY: 2863400 758.5639 2064.0942 1975.7698 102.7469 -206252.5433 17773.6997 0.0000 0.0000 34223.9398 -149353.7289 298.8862 -183577.6687 -149252.5756 298.8942 -180.5417 -146.2909 559203.8244 3.0863 3.2081 PRESSURE: 2863600 0.171566 82.1934 -166.414 82.1938 73.0742 -173.266 -166.414 -173.268 -78.7562 GPRESSURE: 2863600 15.7694 119.074 -116.891 15.1838 104.858 -12.2894 -125.332 -264.201 -32.5297 PRESSAVG: 2863600 41.6023 39.3475 -21.8539 39.3476 -6.90891 -15.6528 -21.8541 -15.6528 -49.3316 GPRESSAVG: 2863600 40.6155 38.154 -23.076 37.2341 -6.72044 -16.7974 -20.6557 -15.0418 -48.8222 TIMING: 2863600 CPU: 8298.68, 0.00291494/step Wall: 8298.68, 0.00291494/step, 1.72985 hours remaining, 209.261719 MB of memory in use. ENERGY: 2863600 770.2983 2119.1861 1991.5689 126.2839 -206337.3186 17870.4355 0.0000 0.0000 34143.1023 -149316.4436 298.1802 -183459.5458 -149223.8573 298.3166 -1.8368 29.3660 557391.9264 -4.8794 -4.9757 PRESSURE: 2863800 287.065 168.94 191.316 168.941 39.0516 -64.8293 191.315 -64.8292 36.7334 GPRESSURE: 2863800 381.043 197.062 130.868 172.478 91.7511 -42.7238 153.616 -41.0783 -10.0401 PRESSAVG: 2863800 25.2101 66.1769 -19.4524 66.1768 -50.5144 -24.8793 -19.4523 -24.8793 5.20362 GPRESSAVG: 2863800 25.6793 67.3271 -18.7057 68.1056 -49.9806 -23.8955 -18.6255 -26.5812 3.89854 TIMING: 2863800 CPU: 8299.27, 0.00292915/step Wall: 8299.27, 0.00292915/step, 1.73812 hours remaining, 209.261719 MB of memory in use. ENERGY: 2863800 740.4900 2051.9195 1983.9955 118.2639 -206814.6888 18082.8030 0.0000 0.0000 34288.1530 -149549.0641 299.4470 -183837.2170 -149455.4304 298.3493 120.9501 154.2512 557888.3234 -6.7002 -6.8009 PRESSURE: 2864000 -13.4967 197.295 32.2635 197.295 -110.456 -98.6523 32.2634 -98.6516 74.8376 GPRESSURE: 2864000 4.31223 212.519 9.74536 126.164 -48.5072 -77.4791 27.1956 -179.361 92.0277 PRESSAVG: 2864000 23.3811 35.3452 59.7029 35.3452 -59.5924 -18.3734 59.7029 -18.3735 -17.8058 GPRESSAVG: 2864000 23.2585 38.8252 59.9538 31.4748 -60.1927 -20.972 57.4397 -16.6407 -16.9029 TIMING: 2864000 CPU: 8299.85, 0.00289859/step Wall: 8299.85, 0.00289859/step, 1.71983 hours remaining, 209.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2864000 725.8536 2097.7077 1966.0738 114.5797 -206639.9511 17869.3854 0.0000 0.0000 34390.2298 -149476.1212 300.3384 -183866.3510 -149379.3143 299.1435 -16.3716 15.9443 558080.3484 -18.0057 -17.9457 PRESSURE: 2864200 112.025 235.229 -248.408 235.23 70.5403 -31.1853 -248.409 -31.1882 -68.189 GPRESSURE: 2864200 162.016 285.291 -163.089 239.434 81.2878 -105.901 -241.645 -42.4822 -32.8883 PRESSAVG: 2864200 37.1966 52.8585 -13.8653 52.8585 -19.5094 -50.251 -13.8653 -50.251 28.5333 GPRESSAVG: 2864200 37.4508 50.018 -14.0613 55.4384 -20.1736 -48.3796 -14.3415 -53.6111 28.0672 TIMING: 2864200 CPU: 8300.43, 0.00289241/step Wall: 8300.43, 0.00289241/step, 1.716 hours remaining, 209.261719 MB of memory in use. ENERGY: 2864200 758.7015 2103.1583 1984.3598 114.1049 -206994.4946 18112.9183 0.0000 0.0000 34358.6774 -149562.5743 300.0629 -183921.2517 -149467.6757 299.2098 38.1255 70.1385 557856.4160 15.4068 15.1148 LDB: ============= START OF LOAD BALANCING ============== 8303.81 LDB: ============== END OF LOAD BALANCING =============== 8303.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8303.81 LDB: ============= START OF LOAD BALANCING ============== 8304.1 LDB: Largest compute 4820 load 0.023681 is 20.1% of average load 0.117985 LDB: Average compute 0.001753 is 1.5% of average load 0.117985 LDB: TIME 8304.11 LOAD: AVG 0.117985 MAX 0.180693 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.152 MB LDB: TIME 8304.11 LOAD: AVG 0.117985 MAX 0.180693 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.211 MB LDB: TIME 8304.11 LOAD: AVG 0.117985 MAX 0.180693 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.211 MB LDB: ============== END OF LOAD BALANCING =============== 8304.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8304.11 PRESSURE: 2864400 64.4324 36.2314 29.6608 36.231 74.937 52.7224 29.661 52.7209 73.6169 GPRESSURE: 2864400 117.399 59.3908 -1.24543 82.8635 50.7854 83.7027 8.71588 25.2432 137.509 PRESSAVG: 2864400 35.0872 33.764 -14.9041 33.764 -75.6517 15.6625 -14.904 15.6626 61.3621 GPRESSAVG: 2864400 35.0163 30.8907 -15.9905 34.7642 -75.5738 16.6525 -14.4076 17.9067 61.4864 TIMING: 2864400 CPU: 8301.02, 0.00294155/step Wall: 8301.02, 0.00294155/step, 1.74499 hours remaining, 209.414062 MB of memory in use. ENERGY: 2864400 742.6706 2156.3727 1960.0980 112.6492 -206935.7281 18194.8717 0.0000 0.0000 34262.1078 -149506.9580 299.2195 -183769.0659 -149416.1205 299.0566 70.9954 101.8978 556692.0212 6.9325 6.9763 PRESSURE: 2864600 -31.6402 -224.78 -8.26316 -224.78 -221.803 1.04774 -8.26316 1.04633 -216.586 GPRESSURE: 2864600 -24.2754 -212.916 -39.3538 -203.479 -178.935 92.2027 -55.6592 -44.503 -187.163 PRESSAVG: 2864600 -1.65709 8.27548 -1.70408 8.27541 13.3507 -13.1656 -1.70411 -13.1657 -17.335 GPRESSAVG: 2864600 -2.27729 9.87898 -1.15347 7.03018 13.0104 -14.2231 -0.683415 -14.6481 -16.7254 TIMING: 2864600 CPU: 8301.59, 0.00288442/step Wall: 8301.59, 0.00288442/step, 1.71094 hours remaining, 209.656250 MB of memory in use. ENERGY: 2864600 755.4197 2099.0519 1939.8430 112.6194 -206198.4309 17604.0792 0.0000 0.0000 34040.6836 -149646.7341 297.2858 -183687.4177 -149554.4409 298.8352 -156.6765 -130.1244 559153.9963 -1.8805 -1.9975 PRESSURE: 2864800 -13.181 8.57144 57.7266 8.57179 3.33419 84.2393 57.7267 84.2397 11.0627 GPRESSURE: 2864800 -17.3675 5.49378 111.715 16.4682 43.2813 127.093 79.0066 100.853 68.973 PRESSAVG: 2864800 -62.8879 -48.7714 -47.1601 -48.7714 34.2576 37.8286 -47.1599 37.8286 -3.68119 GPRESSAVG: 2864800 -61.7395 -48.6094 -47.5948 -47.47 34.8881 36.9016 -46.2033 39.4909 -5.23665 TIMING: 2864800 CPU: 8302.17, 0.00288168/step Wall: 8302.17, 0.00288168/step, 1.70916 hours remaining, 209.656250 MB of memory in use. ENERGY: 2864800 735.0423 2058.1896 1950.0416 115.7277 -206383.6450 17873.1203 0.0000 0.0000 33838.1754 -149813.3481 295.5172 -183651.5235 -149713.8183 297.5668 0.4053 31.6289 557742.1584 -10.7705 -10.6960 PRESSURE: 2865000 -411.119 70.3853 -57.3668 70.3849 -188.315 -190.763 -57.3677 -190.761 -65.9435 GPRESSURE: 2865000 -372.468 127.237 4.94539 34.54 -165.451 -159.956 -141.054 -158.832 -28.5465 PRESSAVG: 2865000 -94.0828 35.1847 28.1273 35.1846 5.619 -27.6953 28.1274 -27.6952 67.9964 GPRESSAVG: 2865000 -94.7431 35.219 27.7874 32.9531 5.52254 -26.4228 27.2309 -27.3069 68.6462 TIMING: 2865000 CPU: 8302.75, 0.00288766/step Wall: 8302.75, 0.00288766/step, 1.71254 hours remaining, 209.656250 MB of memory in use. ENERGY: 2865000 742.2347 2082.1008 1967.8142 118.1317 -206423.0837 17559.4216 0.0000 0.0000 34136.4123 -149816.9685 298.1218 -183953.3808 -149716.1388 298.1346 -221.7926 -188.8218 558416.9427 -6.8225 -6.8581 PRESSURE: 2865200 48.8927 -90.8776 -59.8938 -90.8762 -249.366 1.00785 -59.8955 1.0089 -241.279 GPRESSURE: 2865200 41.3932 -106.362 -48.1378 -124.353 -244.948 31.2207 -12.3616 -3.71373 -136.514 PRESSAVG: 2865200 -16.707 84.2922 -4.91347 84.2923 -79.5079 -17.2755 -4.91351 -17.2756 58.6897 GPRESSAVG: 2865200 -16.0207 84.2651 -4.35871 83.8279 -80.2104 -15.6433 -5.23472 -18.6139 58.211 TIMING: 2865200 CPU: 8303.32, 0.00288807/step Wall: 8303.32, 0.00288807/step, 1.71262 hours remaining, 209.941406 MB of memory in use. ENERGY: 2865200 732.3891 2080.6158 1941.1954 108.4868 -206312.2463 17695.4942 0.0000 0.0000 34092.8763 -149661.1887 297.7416 -183754.0650 -149562.4879 297.8739 -147.2510 -113.3563 557849.5479 -12.5084 -12.6734 PRESSURE: 2865400 85.1842 -88.0721 55.9519 -88.0708 -267.617 110.864 55.9527 110.862 -3.89258 GPRESSURE: 2865400 69.9211 -73.7013 75.8369 -49.32 -167.947 16.2025 30.3082 113.832 11.0097 PRESSAVG: 2865400 -36.2246 44.0757 4.95912 44.0757 -36.6564 41.1108 4.95904 41.1107 73.4432 GPRESSAVG: 2865400 -37.8582 44.2023 5.48205 45.7309 -36.1605 39.3151 3.41271 41.2313 75.0426 TIMING: 2865400 CPU: 8303.9, 0.00289591/step Wall: 8303.9, 0.00289591/step, 1.71711 hours remaining, 209.941406 MB of memory in use. ENERGY: 2865400 733.0779 2086.6059 1987.0408 117.1846 -207019.2226 18064.6290 0.0000 0.0000 34306.7909 -149723.8935 299.6097 -184030.6844 -149629.0707 297.9449 -62.1085 -29.0054 558057.4771 0.1874 0.3413 PRESSURE: 2865600 -430.39 -132.168 -20.0759 -132.168 -323.86 -22.146 -20.0754 -22.145 -226.223 GPRESSURE: 2865600 -413.066 -134.733 -47.8398 -94.318 -250.456 -30.6976 38.7243 -59.2042 -212.065 PRESSAVG: 2865600 16.293 2.82654 27.7272 2.82654 -11.01 92.7469 27.7271 92.7469 10.6306 GPRESSAVG: 2865600 17.4631 3.97388 29.2225 2.31471 -10.5521 91.9629 28.764 93.7309 9.44787 TIMING: 2865600 CPU: 8304.49, 0.00290613/step Wall: 8304.49, 0.00290613/step, 1.72301 hours remaining, 209.941406 MB of memory in use. ENERGY: 2865600 783.3913 2070.3507 1959.1403 101.1442 -206324.0199 17589.7115 0.0000 0.0000 34157.9412 -149662.3408 298.3098 -183820.2820 -149564.0104 298.3127 -326.8243 -291.8622 557985.3397 5.3045 5.4530 PRESSURE: 2865800 -201.682 59.7742 -173.426 59.7754 -233.828 -34.6456 -173.427 -34.6456 9.01582 GPRESSURE: 2865800 -201.506 43.5743 -144.671 116.648 -161.833 -56.5048 -185.389 -27.0942 38.9828 PRESSAVG: 2865800 27.5443 -37.9979 -44.6052 -37.998 -5.19259 35.567 -44.6052 35.5671 -32.7355 GPRESSAVG: 2865800 26.9897 -38.4943 -47.116 -37.9395 -5.05653 34.531 -42.6336 35.1971 -32.3442 TIMING: 2865800 CPU: 8305.06, 0.00289192/step Wall: 8305.06, 0.00289192/step, 1.71443 hours remaining, 209.941406 MB of memory in use. ENERGY: 2865800 777.7258 2125.8767 1936.6152 116.3149 -206289.9178 17509.7324 0.0000 0.0000 34189.5696 -149634.0831 298.5860 -183823.6527 -149537.9853 298.2767 -142.1647 -108.1187 556894.9314 -3.4612 -3.4703 PRESSURE: 2866000 30.525 145.854 187.427 145.854 -34.016 56.581 187.428 56.5809 -32.7768 GPRESSURE: 2866000 24.3817 135.172 217.347 94.8095 10.5267 -88.6197 130.369 152.248 23.0234 PRESSAVG: 2866000 19.5021 67.2745 13.463 67.2746 -25.707 -30.4246 13.463 -30.4245 -2.81565 GPRESSAVG: 2866000 20.1788 66.0224 15.5475 68.9389 -25.6509 -31.3619 11.1105 -29.7268 -3.42034 TIMING: 2866000 CPU: 8305.64, 0.0028827/step Wall: 8305.64, 0.0028827/step, 1.7088 hours remaining, 209.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2866000 718.2135 2117.0334 1949.3597 111.8641 -206202.3851 17677.0238 0.0000 0.0000 33958.1879 -149670.7027 296.5653 -183628.8906 -149573.1795 298.5378 -12.0893 19.3106 555993.1917 -3.0068 -2.9641 PRESSURE: 2866200 -23.558 44.8653 96.6784 44.8662 121.638 -64.6471 96.6789 -64.6495 11.5495 GPRESSURE: 2866200 -0.998164 37.7132 65.1101 36.2039 123.858 -88.1567 72.539 -101.083 95.1783 PRESSAVG: 2866200 51.3048 42.5434 53.808 42.5434 -20.0237 -33.9892 53.808 -33.9893 21.7649 GPRESSAVG: 2866200 51.7651 43.6945 52.6154 42.2206 -19.939 -32.6337 54.9072 -33.8957 21.7324 TIMING: 2866200 CPU: 8306.22, 0.00289573/step Wall: 8306.22, 0.00289573/step, 1.71637 hours remaining, 209.941406 MB of memory in use. ENERGY: 2866200 764.0439 2109.0406 1961.6287 116.6469 -206826.4802 18015.4715 0.0000 0.0000 34143.9608 -149715.6877 298.1877 -183859.6485 -149616.8316 298.3260 36.5430 72.6795 555747.6146 17.6820 17.8528 PRESSURE: 2866400 -107.213 60.3441 249.716 60.3442 -143.126 -10.4652 249.715 -10.4636 -167.491 GPRESSURE: 2866400 -123.372 19.0676 255.217 97.7996 -96.032 28.1709 220.934 -30.6664 -99.8986 PRESSAVG: 2866400 45.9805 33.4877 31.8479 33.4877 10.0274 -16.17 31.8479 -16.17 -68.7941 GPRESSAVG: 2866400 44.9416 33.4602 32.2101 32.1822 10.0868 -13.7399 31.807 -16.7349 -67.7606 TIMING: 2866400 CPU: 8306.8, 0.00289915/step Wall: 8306.8, 0.00289915/step, 1.71823 hours remaining, 209.941406 MB of memory in use. ENERGY: 2866400 738.1633 2076.6695 1978.7530 125.4300 -206604.7078 17712.4023 0.0000 0.0000 34089.8805 -149883.4091 297.7154 -183973.2896 -149783.1331 297.9461 -139.2767 -106.4341 556445.7979 -4.2621 -4.2441 PRESSURE: 2866600 -61.5284 35.0607 93.5591 35.0612 16.286 -46.4134 93.5596 -46.4134 256.834 GPRESSURE: 2866600 7.54795 99.6247 125.57 63.4739 69.189 -35.2665 89.7571 -10.9144 232.823 PRESSAVG: 2866600 18.3021 27.6586 86.2565 27.6586 -15.0801 14.4745 86.2565 14.4745 52.8925 GPRESSAVG: 2866600 18.4331 26.5261 86.905 30.7225 -14.6445 13.1341 84.8125 14.2857 52.4306 TIMING: 2866600 CPU: 8307.37, 0.00287768/step Wall: 8307.37, 0.00287768/step, 1.70534 hours remaining, 209.941406 MB of memory in use. ENERGY: 2866600 706.5308 2106.2118 1988.4308 113.4015 -206712.9119 17953.2885 0.0000 0.0000 34013.4229 -149831.6255 297.0477 -183845.0485 -149735.2446 297.0930 70.5306 103.1866 555899.0798 18.7048 18.7397 PRESSURE: 2866800 -162.804 -192.933 -53.3802 -192.933 -90.9023 -53.1622 -53.3798 -53.1616 201.514 GPRESSURE: 2866800 -76.0514 -260.161 -89.6045 -237.949 -84.0378 -83.9816 25.2374 41.8848 218.659 PRESSAVG: 2866800 -7.64934 -56.7816 25.1622 -56.7815 2.31592 -10.9073 25.1622 -10.9073 -4.81198 GPRESSAVG: 2866800 -7.20884 -57.0616 24.6611 -58.0319 2.06475 -10.0525 26.1483 -10.6288 -4.76797 TIMING: 2866800 CPU: 8307.95, 0.0028839/step Wall: 8307.95, 0.0028839/step, 1.70887 hours remaining, 209.941406 MB of memory in use. ENERGY: 2866800 780.3263 2050.1214 1953.0654 113.4852 -206612.5194 17907.4076 0.0000 0.0000 33951.0735 -149857.0401 296.5032 -183808.1136 -149762.1101 298.0663 -17.3977 19.5231 556573.9014 -3.3818 -3.3040 PRESSURE: 2867000 -169.148 8.69788 118.045 8.69707 -177.01 142.816 118.046 142.816 125.81 GPRESSURE: 2867000 -130.01 -29.0594 79.8898 15.2388 -107.226 104.887 149.595 253.383 111.488 PRESSAVG: 2867000 -64.8284 -9.16842 87.8466 -9.16842 59.9176 5.61055 87.8466 5.61051 14.8606 GPRESSAVG: 2867000 -64.3002 -8.51482 86.5917 -10.4514 60.3385 3.99452 88.0083 7.47177 13.802 TIMING: 2867000 CPU: 8308.53, 0.00289147/step Wall: 8308.53, 0.00289147/step, 1.7132 hours remaining, 209.941406 MB of memory in use. ENERGY: 2867000 738.7935 2076.3411 1947.7998 114.6294 -206596.3480 17783.1343 0.0000 0.0000 34061.6855 -149873.9644 297.4692 -183935.6499 -149761.9790 297.5315 -73.4494 -41.9158 556591.1334 3.3166 3.2801 PRESSURE: 2867200 -82.3292 -124.634 -126.095 -124.633 47.4408 -3.82502 -126.096 -3.82455 -219.885 GPRESSURE: 2867200 -98.0904 -123.018 -133.752 -50.6831 129.661 -6.02564 24.0343 -0.0614243 -200.384 PRESSAVG: 2867200 -2.06461 -11.7184 44.9069 -11.7184 -4.97639 -62.1306 44.9067 -62.1307 -2.5343 GPRESSAVG: 2867200 -3.23105 -11.2042 45.7072 -10.8891 -4.54176 -61.8836 44.0895 -65.9777 -1.76565 TIMING: 2867200 CPU: 8309.11, 0.00288011/step Wall: 8309.11, 0.00288011/step, 1.7063 hours remaining, 209.941406 MB of memory in use. ENERGY: 2867200 710.2410 2067.8397 1955.5623 121.2759 -206629.7714 17855.7729 0.0000 0.0000 34179.2466 -149739.8329 298.4959 -183919.0794 -149644.9400 297.5098 -84.9246 -56.2712 558436.7438 -3.1918 -3.1795 PRESSURE: 2867400 -101.335 -54.3049 -26.0115 -54.3052 -117.832 134.258 -26.0113 134.257 -292.507 GPRESSURE: 2867400 -19.1299 -44.6008 -116.262 -53.4113 -99.1782 161.605 -20.3991 142.791 -306.127 PRESSAVG: 2867400 -29.5343 -13.7657 -9.77151 -13.7656 11.1016 -1.63124 -9.77156 -1.63122 9.81909 GPRESSAVG: 2867400 -28.7049 -13.0953 -9.08325 -15.3969 11.1833 -0.690005 -10.1735 -1.19055 9.31888 TIMING: 2867400 CPU: 8309.68, 0.00287475/step Wall: 8309.68, 0.00287474/step, 1.70297 hours remaining, 209.941406 MB of memory in use. ENERGY: 2867400 735.2414 2057.2187 1963.7948 107.4256 -206448.6811 17791.9634 0.0000 0.0000 34161.5295 -149631.5076 298.3411 -183793.0371 -149531.3420 297.8458 -170.5583 -141.4785 557724.3088 -2.8712 -2.7343 PRESSURE: 2867600 15.0058 148.813 -35.0332 148.813 -223.173 105.713 -35.0332 105.712 -269.817 GPRESSURE: 2867600 16.1873 210.606 -85.3991 225.055 -164.57 76.0404 -65.4346 173.905 -233.688 PRESSAVG: 2867600 50.4558 20.7571 15.7756 20.7572 -1.49197 46.036 15.7756 46.036 -27.8984 GPRESSAVG: 2867600 50.0833 20.2833 14.9348 22.219 -1.59466 45.1506 15.6679 46.4817 -27.1618 TIMING: 2867600 CPU: 8310.25, 0.00286367/step Wall: 8310.25, 0.00286367/step, 1.69625 hours remaining, 209.941406 MB of memory in use. ENERGY: 2867600 719.7304 2070.9637 1980.1134 128.6423 -206258.3580 17731.7408 0.0000 0.0000 34011.1061 -149616.0612 297.0274 -183627.1673 -149511.2019 298.4604 -159.3279 -127.3568 558030.5259 7.0218 7.1089 PRESSURE: 2867800 248.024 202.086 -130.251 202.087 96.8723 -67.3436 -130.251 -67.344 -149.307 GPRESSURE: 2867800 270.151 168.503 -120.951 161.616 163.039 -38.0645 -205.116 -50.7627 -141.059 PRESSAVG: 2867800 -25.3408 12.7117 4.81324 12.7117 -12.3958 -3.59124 4.81329 -3.59126 -0.224531 GPRESSAVG: 2867800 -25.3997 11.8695 3.82121 13.2863 -13.7511 -1.50935 6.25521 -4.8503 0.872934 TIMING: 2867800 CPU: 8310.83, 0.00287987/step Wall: 8310.83, 0.00287987/step, 1.70568 hours remaining, 209.941406 MB of memory in use. ENERGY: 2867800 725.1091 2039.6968 1945.5901 113.1610 -206746.3344 18116.6208 0.0000 0.0000 34224.2018 -149581.9548 298.8885 -183806.1566 -149489.5348 298.1547 65.1966 97.3767 557231.5336 -12.6537 -12.7593 PRESSURE: 2868000 -208.988 -159.547 127.707 -159.547 61.723 125.153 127.707 125.152 232.532 GPRESSURE: 2868000 -199.912 -130.257 107.395 -202.843 94.9015 131.89 36.2991 70.2935 290.276 PRESSAVG: 2868000 25.7355 -37.6945 32.0419 -37.6945 26.0199 -41.7052 32.0418 -41.7052 -5.85247 GPRESSAVG: 2868000 25.9462 -36.8871 34.6641 -39.7965 26.8136 -42.2223 30.1467 -40.9532 -6.51385 TIMING: 2868000 CPU: 8311.4, 0.00287211/step Wall: 8311.4, 0.00287211/step, 1.70093 hours remaining, 209.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2868000 754.5251 2110.2497 1970.7048 118.5706 -206738.2635 17991.6647 0.0000 0.0000 34278.9924 -149513.5561 299.3670 -183792.5485 -149413.4585 298.1968 28.4224 61.7552 557782.0656 15.3010 15.4153 PRESSURE: 2868200 -21.9759 -123.109 147.159 -123.109 107.017 88.604 147.16 88.6034 -220.452 GPRESSURE: 2868200 56.5403 -120.93 193.449 -196.568 120.101 97.5954 168.702 85.2117 -211.566 PRESSAVG: 2868200 -43.8053 -23.959 24.9645 -23.959 -26.59 -1.20499 24.9646 -1.20501 -20.4471 GPRESSAVG: 2868200 -43.3322 -26.0606 23.1948 -24.2574 -26.4413 -1.93548 28.3221 -0.789071 -21.1967 TIMING: 2868200 CPU: 8311.98, 0.00287724/step Wall: 8311.98, 0.00287724/step, 1.70381 hours remaining, 209.941406 MB of memory in use. ENERGY: 2868200 761.7771 2021.4715 1964.0480 139.0850 -206613.7629 17861.1650 0.0000 0.0000 34325.3808 -149540.8355 299.7721 -183866.2163 -149451.6376 298.2394 -45.1370 -11.6417 557280.1206 -30.2808 -30.3234 LDB: ============= START OF LOAD BALANCING ============== 8315.36 LDB: ============== END OF LOAD BALANCING =============== 8315.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8315.37 LDB: ============= START OF LOAD BALANCING ============== 8315.65 LDB: Largest compute 4820 load 0.023496 is 19.9% of average load 0.117929 LDB: Average compute 0.001753 is 1.5% of average load 0.117929 LDB: TIME 8315.66 LOAD: AVG 0.117929 MAX 0.179165 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.754 MB LDB: TIME 8315.66 LOAD: AVG 0.117929 MAX 0.179165 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.754 MB LDB: TIME 8315.66 LOAD: AVG 0.117929 MAX 0.179165 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.754 MB LDB: ============== END OF LOAD BALANCING =============== 8315.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8315.66 PRESSURE: 2868400 -235.903 -144.264 -53.2311 -144.263 -183.239 88.5994 -53.2337 88.599 -172.573 GPRESSURE: 2868400 -178.465 -139.212 -59.2149 -157.92 -189.205 8.17875 -73.7816 120.761 -131.064 PRESSAVG: 2868400 20.1174 -9.52395 10.4047 -9.52392 -18.9338 24.7885 10.4047 24.7885 -8.89836 GPRESSAVG: 2868400 20.469 -7.9796 10.4981 -8.56607 -18.9957 23.7488 10.1447 24.4184 -8.94911 TIMING: 2868400 CPU: 8312.57, 0.00293813/step Wall: 8312.57, 0.00293813/step, 1.7397 hours remaining, 210.039062 MB of memory in use. ENERGY: 2868400 748.9256 2098.2990 1954.5274 109.6756 -205938.5004 17526.3764 0.0000 0.0000 34081.4685 -149419.2279 297.6419 -183500.6964 -149325.9388 298.8818 -197.2383 -166.2447 558714.6565 -2.5716 -2.4920 PRESSURE: 2868600 -47.8039 78.4102 207.082 78.4093 -192.986 55.1486 207.083 55.1495 -158.332 GPRESSURE: 2868600 -44.4986 34.8594 223.86 149.514 -144.741 53.8858 142.32 123.399 -116.241 PRESSAVG: 2868600 26.5135 -2.41238 -25.5312 -2.41243 -5.59226 24.8996 -25.5311 24.8996 -9.73734 GPRESSAVG: 2868600 26.7193 -2.55836 -24.225 -2.36479 -5.38674 25.8997 -27.3514 24.4113 -10.0762 TIMING: 2868600 CPU: 8313.15, 0.0029185/step Wall: 8313.15, 0.0029185/step, 1.72792 hours remaining, 210.039062 MB of memory in use. ENERGY: 2868600 782.2992 2017.1341 1983.7563 109.1640 -206179.5008 17607.0197 0.0000 0.0000 34293.6626 -149386.4649 299.4951 -183680.1276 -149293.6316 299.0197 -133.0406 -101.8267 557483.5645 3.7280 3.7521 PRESSURE: 2868800 402.938 72.1715 39.849 72.1717 463.803 9.57045 39.8494 9.56985 389.43 GPRESSURE: 2868800 443.01 5.20833 14.8061 49.4696 475.441 12.002 52.8564 112.489 436.829 PRESSAVG: 2868800 -54.7113 -6.48472 37.0329 -6.48471 73.8421 25.2207 37.0328 25.2207 -7.61649 GPRESSAVG: 2868800 -55.2125 -4.48753 35.641 -7.86533 73.5863 25.2918 37.7125 24.8326 -6.80773 TIMING: 2868800 CPU: 8313.73, 0.0028989/step Wall: 8313.73, 0.0028989/step, 1.71615 hours remaining, 210.039062 MB of memory in use. ENERGY: 2868800 740.5652 2041.3985 1978.4392 110.1164 -206739.8202 18431.4588 0.0000 0.0000 34165.2660 -149272.5761 298.3738 -183437.8421 -149178.4615 299.2398 418.7238 451.7601 556602.2225 3.8381 3.8554 PRESSURE: 2869000 251.586 -25.0934 103.876 -25.0939 146.942 84.6312 103.875 84.6293 -151.489 GPRESSURE: 2869000 272.822 12.0228 24.7174 -148.698 191.791 167.385 90.6722 54.8535 -108.108 PRESSAVG: 2869000 60.4697 -37.9707 25.8269 -37.9708 -36.9759 29.3333 25.8269 29.3334 -26.5855 GPRESSAVG: 2869000 60.8492 -39.471 26.046 -36.0084 -37.5092 29.8696 25.7031 30.0169 -25.9734 TIMING: 2869000 CPU: 8314.31, 0.00289633/step Wall: 8314.31, 0.00289633/step, 1.71447 hours remaining, 210.039062 MB of memory in use. ENERGY: 2869000 768.8123 2124.6236 1936.9226 100.6028 -206703.2712 18180.4684 0.0000 0.0000 34199.1572 -149392.6842 298.6697 -183591.8414 -149295.5265 298.0025 82.3462 118.8348 558369.7155 -1.0306 -0.8778 PRESSURE: 2869200 300.576 71.5061 135.929 71.5056 197.26 96.2021 135.929 96.203 347.533 GPRESSURE: 2869200 321.274 -0.570147 87.7631 6.47233 235.918 148.191 166.299 106.98 390.509 PRESSAVG: 2869200 47.6367 -15.1698 46.5799 -15.1698 20.783 6.31657 46.5799 6.31657 -24.547 GPRESSAVG: 2869200 48.4502 -16.2387 46.1221 -14.4705 19.9043 5.48118 46.9074 6.55469 -23.6579 TIMING: 2869200 CPU: 8314.89, 0.0028844/step Wall: 8314.89, 0.0028844/step, 1.70724 hours remaining, 210.039062 MB of memory in use. ENERGY: 2869200 735.5637 2063.6935 1962.0546 116.4630 -206765.9792 18323.4447 0.0000 0.0000 34220.0552 -149344.7045 298.8523 -183564.7597 -149252.1297 297.9973 281.7893 315.9005 558048.5146 14.6243 14.8989 PRESSURE: 2869400 -171.424 64.5957 -10.3872 64.5962 -235.152 6.50732 -10.3886 6.50653 -5.9942 GPRESSURE: 2869400 -143.286 24.4979 11.761 92.12 -150.235 -23.0313 -81.5731 63.1906 -19.1612 PRESSAVG: 2869400 -87.3354 -8.5512 0.772931 -8.5512 6.07166 33.2302 0.772901 33.2304 16.1236 GPRESSAVG: 2869400 -87.8455 -6.6985 0.424084 -10.5238 8.17857 33.5558 0.857375 34.3347 14.5941 TIMING: 2869400 CPU: 8315.47, 0.00289854/step Wall: 8315.47, 0.00289854/step, 1.71545 hours remaining, 210.039062 MB of memory in use. ENERGY: 2869400 756.6475 2110.2384 1966.0419 119.3751 -206221.2538 17618.7552 0.0000 0.0000 34269.3806 -149380.8151 299.2830 -183650.1957 -149281.0106 298.7585 -137.5232 -104.2274 558922.1910 -21.7134 -21.6909 PRESSURE: 2869600 -10.9197 183.926 33.4349 183.924 -286.648 17.265 33.4343 17.2643 -209.632 GPRESSURE: 2869600 22.4062 301.523 11.6286 128.691 -300.994 71.7948 101.796 -15.711 -117.163 PRESSAVG: 2869600 -0.364269 13.6372 15.8287 13.6373 -22.0959 12.3171 15.8288 12.317 66.8682 GPRESSAVG: 2869600 0.139111 12.1998 17.1494 14.7278 -23.0943 12.326 15.7521 12.5413 67.4286 TIMING: 2869600 CPU: 8316.05, 0.00291083/step Wall: 8316.05, 0.00291083/step, 1.72257 hours remaining, 210.039062 MB of memory in use. ENERGY: 2869600 778.4574 2138.2191 1955.3123 110.6524 -206359.3966 17747.9982 0.0000 0.0000 34341.0202 -149287.7369 299.9087 -183628.7572 -149194.3931 298.8592 -169.0668 -131.9168 558489.2538 14.8027 14.8245 PRESSURE: 2869800 -160.759 101.485 119.685 101.485 217.764 123.032 119.685 123.032 135.23 GPRESSURE: 2869800 -117.345 -0.0465067 61.8793 153.787 281.824 140.8 65.9183 121.202 130.41 PRESSAVG: 2869800 -59.1178 18.0353 -9.72613 18.0352 -2.35376 14.7887 -9.72616 14.7885 31.4472 GPRESSAVG: 2869800 -58.0613 18.3456 -8.07113 18.7477 -2.42298 14.6504 -10.2473 15.1328 31.039 TIMING: 2869800 CPU: 8316.63, 0.0029169/step Wall: 8316.63, 0.0029169/step, 1.726 hours remaining, 210.039062 MB of memory in use. ENERGY: 2869800 740.0482 2105.4844 1953.9280 109.9086 -206265.3034 17827.1761 0.0000 0.0000 34223.4701 -149305.2879 298.8821 -183528.7580 -149209.6647 298.9361 64.0782 98.2965 557651.9142 -10.0081 -9.8151 PRESSURE: 2870000 -112.835 47.6184 1.78447 47.6178 -216.923 145.164 1.78632 145.163 -116.56 GPRESSURE: 2870000 -112.645 46.7964 20.9685 65.8871 -195.091 143.269 -42.1904 113.837 -42.5413 PRESSAVG: 2870000 54.2139 20.8008 -2.69223 20.8009 -2.1297 24.8328 -2.69225 24.8327 -37.1144 GPRESSAVG: 2870000 53.0652 21.5671 -3.65559 20.3849 -1.12954 24.4162 -2.3338 25.6943 -36.9911 TIMING: 2870000 CPU: 8317.21, 0.00291078/step Wall: 8317.21, 0.00291078/step, 1.72221 hours remaining, 210.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2870000 770.8677 2088.5473 1976.7824 109.5666 -205796.7574 17527.5891 0.0000 0.0000 34210.6541 -149112.7501 298.7702 -183323.4042 -149016.5895 299.4530 -148.7723 -116.7591 557469.2378 4.9899 4.9815 PRESSURE: 2870200 -108.418 196.339 28.4236 196.339 112.131 213.831 28.4219 213.831 -5.95827 GPRESSURE: 2870200 -19.7282 134.319 53.6631 133.882 116.114 113.187 -54.9719 165.829 -0.520399 PRESSAVG: 2870200 -4.77309 7.68094 -13.7224 7.68088 -5.23419 11.8706 -13.7224 11.8709 33.4956 GPRESSAVG: 2870200 -5.12823 6.91247 -14.6932 6.3258 -4.64152 12.4991 -14.3551 9.30407 33.1753 TIMING: 2870200 CPU: 8317.8, 0.00292345/step Wall: 8317.8, 0.00292345/step, 1.72955 hours remaining, 210.039062 MB of memory in use. ENERGY: 2870200 731.0245 2097.5591 1970.6782 117.0737 -205855.5634 17516.5576 0.0000 0.0000 34304.3975 -149118.2728 299.5888 -183422.6703 -149021.9492 299.6212 -0.7483 31.9551 555185.5805 7.8295 7.8019 PRESSURE: 2870400 237.854 145.51 102.036 145.509 135.434 13.0095 102.035 13.0096 -100.81 GPRESSURE: 2870400 262.862 181.163 98.8547 187.656 119.724 106.287 142.294 -38.7751 -21.1759 PRESSAVG: 2870400 -63.5882 -9.75186 -22.1772 -9.75187 81.1791 20.2245 -22.1771 20.2244 -41.5799 GPRESSAVG: 2870400 -63.7371 -9.76666 -22.4273 -7.97533 80.8552 19.9366 -20.4309 21.6277 -40.9862 TIMING: 2870400 CPU: 8318.38, 0.00290042/step Wall: 8318.38, 0.00290042/step, 1.71576 hours remaining, 210.039062 MB of memory in use. ENERGY: 2870400 725.0351 2129.9053 1965.1576 109.2217 -205990.8671 17820.9422 0.0000 0.0000 34096.7290 -149143.8763 297.7752 -183240.6053 -149041.9492 299.4078 90.8263 120.4699 556879.4727 -7.9963 -7.9561 PRESSURE: 2870600 -301.033 82.8308 -108.184 82.8303 -302.189 -21.2564 -108.185 -21.2553 -44.1902 GPRESSURE: 2870600 -239.01 74.3098 -149.137 77.1535 -294.226 120.873 -230.924 -64.2136 -10.2291 PRESSAVG: 2870600 -66.6477 0.872775 -38.6292 0.872782 38.3102 -12.6311 -38.6292 -12.6311 18.3401 GPRESSAVG: 2870600 -65.8634 0.186456 -40.3836 1.71788 38.0531 -10.823 -36.9839 -13.6622 17.7345 TIMING: 2870600 CPU: 8318.96, 0.00290501/step Wall: 8318.96, 0.00290501/step, 1.71831 hours remaining, 210.039062 MB of memory in use. ENERGY: 2870600 743.8749 2107.6407 1974.6126 106.7889 -205416.9808 17249.4462 0.0000 0.0000 34067.2466 -149167.3710 297.5177 -183234.6175 -149075.0041 298.7565 -215.8041 -181.1550 557377.4114 -3.3325 -3.3586 PRESSURE: 2870800 -308.508 -125.347 26.8781 -125.346 -216.252 -103.468 26.8778 -103.467 225.374 GPRESSURE: 2870800 -238.961 -131.514 32.5135 -111.544 -149.299 -114.745 32.4722 -140.534 193.731 PRESSAVG: 2870800 -0.181073 -42.3049 -26.3215 -42.3049 -33.8012 -26.1809 -26.3215 -26.1809 20.017 GPRESSAVG: 2870800 0.115645 -42.0175 -25.0495 -43.6813 -34.1653 -28.294 -28.4295 -24.1621 19.9722 TIMING: 2870800 CPU: 8319.54, 0.00292132/step Wall: 8319.54, 0.00292132/step, 1.7278 hours remaining, 210.039062 MB of memory in use. ENERGY: 2870800 750.6391 2072.9852 1940.1770 115.0696 -205589.4311 17442.4391 0.0000 0.0000 34249.4482 -149018.6729 299.1089 -183268.1211 -148922.4013 298.9787 -99.7953 -64.8432 559113.7220 -4.6551 -4.6925 PRESSURE: 2871000 119.488 65.8984 205.428 65.8994 124.062 -52.8923 205.43 -52.891 181.905 GPRESSURE: 2871000 183.343 -12.9002 181.203 119.99 134.636 -49.4858 200.775 -5.02792 205.741 PRESSAVG: 2871000 -20.4775 -25.4687 19.7709 -25.4686 46.8932 8.69692 19.771 8.69693 -9.60087 GPRESSAVG: 2871000 -20.0328 -25.4344 20.3377 -24.6762 47.0418 10.4208 18.0117 8.00061 -9.59477 TIMING: 2871000 CPU: 8320.12, 0.00289968/step Wall: 8320.12, 0.00289968/step, 1.71484 hours remaining, 210.039062 MB of memory in use. ENERGY: 2871000 756.2762 2081.4965 1957.1950 115.3389 -206005.7047 17885.6208 0.0000 0.0000 34344.9219 -148864.8555 299.9427 -183209.7774 -148770.1823 299.5929 141.8185 174.5732 557032.3471 5.6049 5.8048 PRESSURE: 2871200 -202.074 -136.712 -6.43414 -136.713 -36.2647 -49.3936 -6.43396 -49.3933 -23.5065 GPRESSURE: 2871200 -182.427 -142.635 -17.144 -145.792 53.53 -73.9616 -40.6992 61.3464 -32.7399 PRESSAVG: 2871200 29.9496 -20.2323 31.1313 -20.2324 15.7022 51.7819 31.1314 51.7819 -55.0447 GPRESSAVG: 2871200 29.3578 -22.5857 30.5534 -20.1934 15.8295 50.5985 30.9524 51.7865 -54.7113 TIMING: 2871200 CPU: 8320.7, 0.00288623/step Wall: 8320.7, 0.00288623/step, 1.70672 hours remaining, 210.039062 MB of memory in use. ENERGY: 2871200 750.2604 2102.5420 1927.0107 109.6373 -205960.8395 17764.0314 0.0000 0.0000 34351.5351 -148955.8227 300.0005 -183307.3578 -148856.2773 299.7845 -87.2817 -53.8791 558012.8782 -3.1309 -3.1747 PRESSURE: 2871400 -94.7932 -81.8116 94.879 -81.8123 49.7434 -71.4929 94.8779 -71.4916 107.8 GPRESSURE: 2871400 -29.4849 -89.9653 103.77 -28.1882 63.1124 27.6826 87.7495 -140.476 121.171 PRESSAVG: 2871400 -70.0656 -28.0894 44.7096 -28.0894 43.0843 -3.09643 44.7096 -3.09632 -0.559207 GPRESSAVG: 2871400 -68.856 -26.0424 46.603 -28.2135 42.7894 -2.59927 45.6352 -2.83577 -0.375245 TIMING: 2871400 CPU: 8321.27, 0.00286599/step Wall: 8321.27, 0.00286599/step, 1.6946 hours remaining, 210.039062 MB of memory in use. ENERGY: 2871400 740.0420 2065.3595 1925.6303 111.1284 -206059.5985 17702.1163 0.0000 0.0000 34449.9604 -149065.3616 300.8601 -183515.3220 -148973.7580 299.7663 20.9167 51.5995 555749.9689 -9.1802 -8.8139 PRESSURE: 2871600 207.489 120.303 -55.2968 120.302 54.4573 -150.646 -55.2977 -150.647 -231.712 GPRESSURE: 2871600 188.995 112.78 10.3398 41.9628 62.9795 -101.555 -49.9137 -155.811 -119.079 PRESSAVG: 2871600 -49.8795 46.1303 8.56934 46.1302 54.2138 3.88355 8.56939 3.88361 -85.0943 GPRESSAVG: 2871600 -50.7811 44.9526 8.78554 46.6851 55.3162 2.92495 7.86231 3.04359 -85.5503 TIMING: 2871600 CPU: 8321.85, 0.00288173/step Wall: 8321.85, 0.00288173/step, 1.70374 hours remaining, 210.039062 MB of memory in use. ENERGY: 2871600 700.4238 2096.6341 1952.8190 120.0711 -205894.6604 17715.8992 0.0000 0.0000 34441.5961 -148867.2171 300.7870 -183308.8132 -148762.3891 300.2701 10.0783 44.2985 556836.6127 -26.9200 -27.0051 PRESSURE: 2871800 139.713 31.3368 32.6199 31.336 -136.443 101.476 32.6197 101.474 71.2561 GPRESSURE: 2871800 154.775 -18.2792 119.921 -4.6872 -92.41 73.1878 6.98903 100.326 111.891 PRESSAVG: 2871800 -0.181632 3.67873 10.1365 3.67876 -37.3075 -54.0317 10.1365 -54.0318 44.1338 GPRESSAVG: 2871800 -0.627925 2.54937 8.98914 3.35877 -36.6724 -53.8915 10.9417 -50.8445 44.0773 TIMING: 2871800 CPU: 8322.43, 0.00288144/step Wall: 8322.43, 0.00288144/step, 1.70341 hours remaining, 210.039062 MB of memory in use. ENERGY: 2871800 752.9941 2131.8449 1933.9199 108.5903 -206162.4358 17841.6001 0.0000 0.0000 34579.8058 -148813.6807 301.9940 -183393.4865 -148715.0149 300.5150 24.8421 58.0855 555157.5343 2.2149 2.2590 PRESSURE: 2872000 -1.34115 45.0037 123.496 45.004 -83.1336 134.034 123.496 134.035 103.886 GPRESSURE: 2872000 9.47678 9.62662 182.08 77.7207 -44.4299 175.048 50.8346 45.0533 153.148 PRESSAVG: 2872000 15.1897 -31.7679 14.8804 -31.7678 -21.4252 -1.09361 14.8805 -1.09365 -13.2402 GPRESSAVG: 2872000 15.4028 -30.7305 14.5964 -33.0259 -22.9876 0.929615 17.1266 -4.1911 -11.5825 TIMING: 2872000 CPU: 8323, 0.00288925/step Wall: 8323, 0.00288925/step, 1.70787 hours remaining, 210.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2872000 719.1325 2045.5801 1953.9128 129.5912 -205947.7441 17678.2498 0.0000 0.0000 34675.1253 -148746.1524 302.8265 -183421.2777 -148645.5932 300.1790 6.4705 39.3982 556180.7870 -6.4919 -6.3891 PRESSURE: 2872200 117.797 152.765 75.9799 152.765 -19.0862 -103.485 75.9786 -103.485 -75.9475 GPRESSURE: 2872200 191.213 101.676 92.08 166.949 -7.23408 -77.141 52.897 -138.507 -62.8473 PRESSAVG: 2872200 -25.7014 6.91627 0.962022 6.91623 56.991 5.39654 0.962044 5.3967 -21.6746 GPRESSAVG: 2872200 -25.9792 7.62998 2.83318 7.59655 58.137 4.26941 -0.0876495 7.29988 -22.5624 TIMING: 2872200 CPU: 8323.58, 0.00288693/step Wall: 8323.58, 0.00288693/step, 1.70634 hours remaining, 210.039062 MB of memory in use. ENERGY: 2872200 691.0976 2111.6298 1944.8823 114.3438 -206037.9920 17818.2048 0.0000 0.0000 34352.3610 -149005.4728 300.0077 -183357.8338 -148912.8423 300.5196 7.5877 40.3772 557462.7247 3.2050 3.1985 LDB: ============= START OF LOAD BALANCING ============== 8326.97 LDB: ============== END OF LOAD BALANCING =============== 8326.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8326.97 LDB: ============= START OF LOAD BALANCING ============== 8327.26 LDB: Largest compute 4820 load 0.023904 is 20.3% of average load 0.117853 LDB: Average compute 0.001747 is 1.5% of average load 0.117853 LDB: TIME 8327.26 LOAD: AVG 0.117853 MAX 0.179476 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.023 MB LDB: TIME 8327.26 LOAD: AVG 0.117853 MAX 0.179476 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: TIME 8327.26 LOAD: AVG 0.117853 MAX 0.179476 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: ============== END OF LOAD BALANCING =============== 8327.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8327.27 PRESSURE: 2872400 -208.422 -92.2356 -135.05 -92.2352 -465.778 -57.3769 -135.051 -57.3767 -79.7581 GPRESSURE: 2872400 -225.487 -41.8276 -111.42 -128.873 -391.819 -17.4089 -127.304 -94.8142 -36.825 PRESSAVG: 2872400 32.9504 13.4557 -3.98451 13.4556 -25.6394 -40.0294 -3.98449 -40.0293 4.38796 GPRESSAVG: 2872400 32.7944 13.411 -5.17787 13.4257 -25.7534 -41.4319 -5.8898 -39.7765 4.45214 TIMING: 2872400 CPU: 8324.17, 0.00294981/step Wall: 8324.17, 0.00294981/step, 1.74334 hours remaining, 209.257812 MB of memory in use. ENERGY: 2872400 719.3467 2085.5085 1942.2796 114.4651 -205341.2825 17225.9639 0.0000 0.0000 34210.2042 -149043.5145 298.7662 -183253.7187 -148945.6504 299.9469 -251.3196 -218.0438 557649.1247 3.8997 3.8310 PRESSURE: 2872600 -142.643 -55.9555 130.065 -55.9559 -210.012 117.126 130.066 117.126 -113.471 GPRESSURE: 2872600 -122.154 10.2788 188.668 -99.6387 -168.135 113.676 70.5493 87.5211 -84.2827 PRESSAVG: 2872600 30.9584 -37.3704 2.81563 -37.3704 55.0419 30.0425 2.81559 30.0423 -60.2005 GPRESSAVG: 2872600 31.3135 -36.038 2.53551 -37.8563 54.3521 31.6771 3.34219 28.455 -60.4298 TIMING: 2872600 CPU: 8324.75, 0.00290492/step Wall: 8324.75, 0.00290492/step, 1.71665 hours remaining, 209.718750 MB of memory in use. ENERGY: 2872600 754.7045 2054.1974 1922.5679 106.1129 -205887.1642 17636.9307 0.0000 0.0000 34375.2632 -149037.3878 300.2077 -183412.6509 -148940.5020 299.4603 -155.3751 -124.8575 557917.0891 8.5999 8.4119 PRESSURE: 2872800 80.4017 197.668 57.544 197.668 140.558 -6.18175 57.5433 -6.18069 -202.067 GPRESSURE: 2872800 94.3459 226.887 48.9914 145.147 170.312 14.4896 116.5 -1.97074 -150.691 PRESSAVG: 2872800 -25.4086 31.4662 7.25161 31.4663 42.7373 34.4753 7.25162 34.4753 23.9441 GPRESSAVG: 2872800 -23.961 31.6742 6.81652 30.4085 43.2827 35.7221 8.21875 33.0727 22.2118 TIMING: 2872800 CPU: 8325.34, 0.00291401/step Wall: 8325.34, 0.00291401/step, 1.72186 hours remaining, 209.718750 MB of memory in use. ENERGY: 2872800 704.1577 2038.1321 1938.9864 119.6534 -206352.3659 18083.9077 0.0000 0.0000 34198.4682 -149269.0605 298.6637 -183467.5286 -149167.1617 299.7728 6.2977 37.9888 558638.7506 13.7576 13.8445 PRESSURE: 2873000 -83.3702 -61.4467 -69.7129 -61.446 -44.4383 98.4296 -69.7135 98.4294 -175.946 GPRESSURE: 2873000 -108.587 -51.5484 -27.7767 -31.0257 28.4039 131.183 -142.754 60.9629 -123.295 PRESSAVG: 2873000 81.2783 32.5453 -7.2235 32.5453 -4.30846 -9.43032 -7.2236 -9.43035 -28.564 GPRESSAVG: 2873000 79.1958 32.8415 -8.65917 33.4611 -4.12959 -10.3119 -6.86497 -8.1569 -27.2486 TIMING: 2873000 CPU: 8325.91, 0.00289007/step Wall: 8325.91, 0.00289007/step, 1.70755 hours remaining, 209.718750 MB of memory in use. ENERGY: 2873000 736.6155 2117.9434 1918.2311 100.5091 -206352.9591 17713.2940 0.0000 0.0000 34255.8287 -149510.5373 299.1647 -183766.3661 -149410.8152 299.1927 -101.2515 -67.8259 558238.7315 16.1353 15.9392 PRESSURE: 2873200 147.351 178.002 52.6891 178.001 -177.79 -86.2589 52.6887 -86.2627 -37.8457 GPRESSURE: 2873200 143.448 193.637 85.31 141.78 -160.911 -49.9002 80.4976 -62.239 40.7875 PRESSAVG: 2873200 -16.6395 -23.859 -35.6439 -23.859 12.1658 18.5073 -35.6439 18.5073 28.5269 GPRESSAVG: 2873200 -16.4658 -24.2545 -35.6415 -23.2985 12.2378 14.8951 -35.432 20.9559 27.7031 TIMING: 2873200 CPU: 8326.49, 0.00288435/step Wall: 8326.49, 0.00288435/step, 1.70401 hours remaining, 209.718750 MB of memory in use. ENERGY: 2873200 730.0558 2063.2928 1964.4693 121.5318 -206273.7122 17692.9799 0.0000 0.0000 34215.4487 -149485.9340 298.8120 -183701.3826 -149387.4607 298.6435 -22.7613 7.7748 557147.8393 8.0177 7.8250 PRESSURE: 2873400 -200.359 167.98 55.8851 167.982 -433.054 115.505 55.8864 115.505 -162.054 GPRESSURE: 2873400 -183.593 169.021 50.3736 88.3418 -358.563 20.0159 113.263 171.663 -163.131 PRESSAVG: 2873400 22.9356 18.7027 -47.6485 18.7026 -71.8862 17.3851 -47.6486 17.3852 65.0638 GPRESSAVG: 2873400 23.2253 16.1588 -44.4457 20.3204 -71.6462 19.1393 -49.6505 15.5024 64.2921 TIMING: 2873400 CPU: 8327.07, 0.00290513/step Wall: 8327.07, 0.00290513/step, 1.71613 hours remaining, 209.718750 MB of memory in use. ENERGY: 2873400 712.2870 2049.9126 1934.8851 122.6659 -205850.3922 17492.7327 0.0000 0.0000 33958.4891 -149579.4197 296.5679 -183537.9089 -149483.3016 297.4776 -265.1555 -235.0959 558245.3883 5.3711 5.2904 PRESSURE: 2873600 120.24 30.6257 -20.7133 30.6233 22.5321 66.7448 -20.7135 66.7457 198.104 GPRESSURE: 2873600 157.582 88.3613 27.0337 47.689 81.3165 136.505 41.5052 -68.9661 203.779 PRESSAVG: 2873600 -2.40787 21.6132 -31.773 21.6132 19.3446 27.9373 -31.7729 27.9373 3.47973 GPRESSAVG: 2873600 -2.27581 25.8127 -33.7504 18.2414 18.3449 28.3802 -30.5673 28.4555 4.17722 TIMING: 2873600 CPU: 8327.65, 0.00288762/step Wall: 8327.65, 0.00288762/step, 1.70562 hours remaining, 209.781250 MB of memory in use. ENERGY: 2873600 746.1532 2055.9758 1935.4652 108.3236 -206772.5314 17978.2701 0.0000 0.0000 34428.9935 -149519.3500 300.6770 -183948.3436 -149420.8345 298.0335 113.6254 147.5593 557045.9335 6.8055 6.7488 PRESSURE: 2873800 163.683 124.178 -87.7414 124.178 -265.897 77.2042 -87.7407 77.2048 36.2844 GPRESSURE: 2873800 222.789 96.3346 -124.723 202.679 -206.584 114.423 -103.184 46.2518 4.13187 PRESSAVG: 2873800 54.5457 -13.3312 -31.9809 -13.3312 4.19247 16.3839 -31.981 16.3838 -50.458 GPRESSAVG: 2873800 54.0051 -14.9276 -33.8036 -13.1187 5.15242 15.5368 -29.9968 14.8277 -51.4761 TIMING: 2873800 CPU: 8328.22, 0.00286821/step Wall: 8328.22, 0.00286821/step, 1.69399 hours remaining, 209.781250 MB of memory in use. ENERGY: 2873800 740.3865 2029.3004 1956.4422 110.7464 -206884.4566 18003.0182 0.0000 0.0000 34334.4145 -149710.1485 299.8510 -184044.5630 -149611.6642 298.2728 -21.9766 6.7792 555928.5065 2.7601 2.5605 PRESSURE: 2874000 -254.298 94.117 -11.3205 94.1166 -41.7993 11.7381 -11.3204 11.7403 -96.743 GPRESSURE: 2874000 -198.805 82.5587 -167.467 7.58771 8.45593 83.7359 2.26714 23.6469 -100.633 PRESSAVG: 2874000 -5.18422 12.7618 -51.2604 12.7619 -30.9781 -20.6891 -51.2604 -20.6891 33.8262 GPRESSAVG: 2874000 -5.46793 12.0027 -52.2073 14.4203 -31.9964 -18.5948 -51.2284 -20.3974 35.0617 TIMING: 2874000 CPU: 8328.8, 0.00290275/step Wall: 8328.8, 0.00290275/step, 1.71424 hours remaining, 209.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2874000 730.7832 2045.5545 1937.1483 104.9187 -206366.0753 17689.9798 0.0000 0.0000 34107.1661 -149750.5246 297.8664 -183857.6907 -149655.5808 297.7615 -130.9469 -96.9939 557277.2565 -0.7787 -0.8009 PRESSURE: 2874200 -224.138 -10.5035 25.5902 -10.5025 -175.643 -23.3493 25.5892 -23.3491 -78.9929 GPRESSURE: 2874200 -197.366 36.819 -12.0106 -32.6881 -94.4417 -94.9535 26.7574 17.9488 -96.6112 PRESSAVG: 2874200 4.41472 37.4034 58.5834 37.4034 -21.9474 -42.9104 58.5833 -42.9105 16.979 GPRESSAVG: 2874200 4.10049 38.8647 62.2411 36.282 -21.7588 -44.9586 55.7853 -43.5895 16.2848 TIMING: 2874200 CPU: 8329.38, 0.00289731/step Wall: 8329.38, 0.00289731/step, 1.71086 hours remaining, 209.781250 MB of memory in use. ENERGY: 2874200 738.3703 2118.8890 1942.0805 127.8670 -206291.6450 17582.9379 0.0000 0.0000 34170.7863 -149610.7141 298.4220 -183781.5004 -149506.9030 298.0338 -159.5910 -129.4728 557482.8808 -0.1845 -0.4579 PRESSURE: 2874400 50.7057 -35.157 -184.778 -35.1572 70.3388 122.864 -184.777 122.865 -180.472 GPRESSURE: 2874400 113.575 -80.2717 -207.277 -23.043 52.9584 102.367 -117.388 130.512 -124.572 PRESSAVG: 2874400 6.68931 4.3875 7.50047 4.38755 -14.7409 -56.0184 7.5005 -56.0182 20.7686 GPRESSAVG: 2874400 7.11462 3.09277 6.22231 5.07092 -13.6182 -52.8801 8.31181 -54.972 19.4462 TIMING: 2874400 CPU: 8329.96, 0.00289226/step Wall: 8329.96, 0.00289226/step, 1.70772 hours remaining, 209.781250 MB of memory in use. ENERGY: 2874400 725.8311 2073.3310 1961.2496 103.2206 -206240.9006 17725.6202 0.0000 0.0000 34023.5149 -149628.1331 297.1358 -183651.6481 -149537.2460 298.1248 -19.8092 13.9870 557462.5332 4.2390 4.3142 PRESSURE: 2874600 -31.821 121.207 67.4184 121.207 13.9556 48.8606 67.4189 48.859 -213.98 GPRESSURE: 2874600 1.06836 62.5621 74.4191 114.236 33.378 178.136 67.4377 -80.2529 -173.063 PRESSAVG: 2874600 13.8024 0.35411 33.7528 0.35415 -15.5221 31.4441 33.7528 31.4442 -67.4882 GPRESSAVG: 2874600 13.426 -1.30568 34.0185 0.24612 -16.2999 30.0199 33.5959 31.5053 -66.1418 TIMING: 2874600 CPU: 8330.54, 0.00288881/step Wall: 8330.54, 0.00288881/step, 1.70552 hours remaining, 209.781250 MB of memory in use. ENERGY: 2874600 749.7108 2087.2871 1951.6081 106.9277 -206619.0775 17813.8140 0.0000 0.0000 34138.9477 -149770.7822 298.1439 -183909.7299 -149677.7063 298.0615 -77.2818 -46.2055 556782.8221 -23.0693 -23.0052 PRESSURE: 2874800 5.35465 87.1267 86.2533 87.1277 140.075 -89.4361 86.2534 -89.4381 -81.2942 GPRESSURE: 2874800 52.2312 152.889 68.5031 151.239 179.582 -120.848 143.538 -44.881 -70.184 PRESSAVG: 2874800 51.9214 -15.8102 18.9775 -15.8101 14.0048 18.3757 18.9774 18.3758 -38.1358 GPRESSAVG: 2874800 52.1242 -14.3535 18.9784 -15.6143 14.1691 18.4752 20.8131 16.5382 -38.2221 TIMING: 2874800 CPU: 8331.12, 0.00288929/step Wall: 8331.12, 0.00288929/step, 1.70564 hours remaining, 209.781250 MB of memory in use. ENERGY: 2874800 700.9414 2091.5365 1939.0306 108.9047 -206609.3766 17925.8118 0.0000 0.0000 34332.4978 -149510.6538 299.8342 -183843.1517 -149415.3702 298.1161 21.3784 53.8764 557738.1062 9.2635 9.3571 PRESSURE: 2875000 -82.7757 137.313 -65.75 137.312 -200.966 93.9901 -65.7489 93.991 -292.208 GPRESSURE: 2875000 -46.1977 127.442 -66.7205 110.144 -189.924 6.08444 -61.0689 152.104 -236.161 PRESSAVG: 2875000 39.0751 23.5169 19.0839 23.5168 12.102 1.29133 19.0839 1.29124 -57.7457 GPRESSAVG: 2875000 38.8158 23.1032 19.167 22.8541 12.2936 2.54278 17.3293 3.08906 -57.3272 TIMING: 2875000 CPU: 8331.7, 0.00290017/step Wall: 8331.7, 0.00290017/step, 1.71191 hours remaining, 209.781250 MB of memory in use. ENERGY: 2875000 746.5071 2057.5951 1968.0475 114.7490 -206525.4476 17700.2908 0.0000 0.0000 34282.9524 -149655.3057 299.4016 -183938.2581 -149557.3383 298.5200 -191.9830 -157.4276 557493.2509 -2.1896 -2.0726 PRESSURE: 2875200 -131.754 -21.8735 94.7275 -21.8748 96.9006 -50.6306 94.7267 -50.6305 261.371 GPRESSURE: 2875200 -68.8552 -55.3307 77.6677 -31.737 89.4052 -47.3085 133.469 -75.7751 301.244 PRESSAVG: 2875200 2.36088 29.4117 1.74205 29.4118 -8.25061 40.8184 1.74204 40.8185 22.0093 GPRESSAVG: 2875200 2.51057 28.9918 4.14155 29.6628 -8.02044 38.5753 -0.328454 41.4335 21.1118 TIMING: 2875200 CPU: 8332.27, 0.00287996/step Wall: 8332.27, 0.00287996/step, 1.69982 hours remaining, 209.781250 MB of memory in use. ENERGY: 2875200 757.5623 2049.4086 1939.1053 102.9950 -206627.4083 17948.3685 0.0000 0.0000 34248.3959 -149581.5726 299.0998 -183829.9685 -149491.8511 298.3440 75.5058 107.2647 556457.3024 5.3732 5.2006 PRESSURE: 2875400 17.2461 222.633 12.5622 222.632 138.996 135.124 12.563 135.122 298.664 GPRESSURE: 2875400 15.685 194.944 -38.4229 188.345 160.344 83.2258 11.0216 87.7628 378.156 PRESSAVG: 2875400 -34.2816 -7.68183 -9.33761 -7.68186 -14.735 28.6014 -9.33756 28.6012 66.8937 GPRESSAVG: 2875400 -35.1724 -8.3809 -13.4793 -8.07231 -15.0265 29.719 -6.9218 29.1584 68.4747 TIMING: 2875400 CPU: 8332.85, 0.0028977/step Wall: 8332.85, 0.0028977/step, 1.71013 hours remaining, 209.781250 MB of memory in use. ENERGY: 2875400 743.8127 2072.7317 1923.8921 118.1641 -206359.3243 17849.5345 0.0000 0.0000 34303.0132 -149348.1759 299.5767 -183651.1892 -149248.5413 298.9957 151.6354 184.7283 555663.2671 5.9590 6.0919 PRESSURE: 2875600 115.337 43.4875 -41.2702 43.4858 -69.9225 149.116 -41.2692 149.117 11.0721 GPRESSURE: 2875600 100.744 102.269 -45.8865 8.87604 -37.4553 162.906 -52.2561 78.2962 86.3144 PRESSAVG: 2875600 0.262317 -1.82519 1.44281 -1.82531 54.2754 -3.45327 1.44285 -3.45337 1.48889 GPRESSAVG: 2875600 -0.305952 -1.89498 3.77414 -2.57775 55.6424 -4.4604 2.80784 -4.77672 0.925366 TIMING: 2875600 CPU: 8333.43, 0.00290184/step Wall: 8333.43, 0.00290184/step, 1.71241 hours remaining, 209.781250 MB of memory in use. ENERGY: 2875600 748.6068 2115.8987 1931.0173 96.3495 -206301.7162 17888.4083 0.0000 0.0000 34095.1385 -149426.2971 297.7613 -183521.4355 -149329.5488 299.2593 18.8288 49.8678 557219.5476 18.6755 18.7539 PRESSURE: 2875800 -158.011 73.774 -13.7672 73.7744 8.05564 -99.1919 -13.7672 -99.1925 8.31847 GPRESSURE: 2875800 -118.16 59.6937 -28.1963 126.95 10.5561 -179.248 -82.384 -75.7652 46.2226 PRESSAVG: 2875800 -68.099 33.3373 -25.7034 33.3372 24.5494 7.01202 -25.7034 7.01199 43.5037 GPRESSAVG: 2875800 -68.5295 35.115 -26.1663 32.4595 24.3292 7.57091 -26.7184 7.99387 43.9192 TIMING: 2875800 CPU: 8334.01, 0.00287519/step Wall: 8334.01, 0.00287519/step, 1.69652 hours remaining, 209.781250 MB of memory in use. ENERGY: 2875800 757.4633 2038.9626 1946.2436 123.2673 -206251.5205 17814.6104 0.0000 0.0000 34180.7311 -149390.2424 298.5088 -183570.9735 -149293.5423 299.0533 -47.2124 -20.4605 558327.3986 -0.0153 -0.0937 PRESSURE: 2876000 -159.505 73.4042 -6.58948 73.4056 268.079 110.721 -6.59017 110.721 -89.9444 GPRESSURE: 2876000 -90.928 93.1329 -31.6901 -72.8633 320.804 92.2711 -29.6674 89.6021 -128.708 PRESSAVG: 2876000 -38.3141 -53.3593 -51.1869 -53.3595 -1.24204 40.8029 -51.1869 40.8031 4.80643 GPRESSAVG: 2876000 -36.7613 -54.5198 -51.4143 -51.7673 -2.13705 39.8884 -54.2172 40.1155 4.42111 TIMING: 2876000 CPU: 8334.58, 0.00288345/step Wall: 8334.58, 0.00288345/step, 1.70124 hours remaining, 209.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2876000 727.8453 2097.0593 1957.0077 120.2563 -206129.6862 17887.4281 0.0000 0.0000 34019.7198 -149320.3698 297.1027 -183340.0895 -149223.1649 299.1795 6.2101 33.7227 558911.9472 -11.5832 -11.4924 PRESSURE: 2876200 -155.013 -91.7139 72.8984 -91.7128 -61.6903 66.2123 72.8985 66.2128 -298.59 GPRESSURE: 2876200 -192.346 23.6465 8.49544 -80.2544 -34.79 93.6995 81.5784 -17.4511 -188.628 PRESSAVG: 2876200 -1.35287 7.34331 -22.0141 7.34332 2.58433 9.39047 -22.0141 9.39047 8.21444 GPRESSAVG: 2876200 -2.26685 8.54207 -24.0846 7.32972 2.29755 10.1989 -19.2891 10.962 9.58975 TIMING: 2876200 CPU: 8335.16, 0.00287409/step Wall: 8335.16, 0.00287409/step, 1.69555 hours remaining, 209.781250 MB of memory in use. ENERGY: 2876200 755.5459 2114.0009 1941.4904 115.8853 -205654.6174 17440.9389 0.0000 0.0000 34062.5603 -149224.1956 297.4768 -183286.7559 -149131.2368 298.7266 -171.7644 -138.5878 556759.3890 3.1486 3.2068 LDB: ============= START OF LOAD BALANCING ============== 8338.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8338.54 LDB: =============== DONE WITH MIGRATION ================ 8338.55 LDB: ============= START OF LOAD BALANCING ============== 8338.83 LDB: Largest compute 4820 load 0.025740 is 21.8% of average load 0.117947 LDB: Average compute 0.001748 is 1.5% of average load 0.117947 LDB: TIME 8338.84 LOAD: AVG 0.117947 MAX 0.180751 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209 MB LDB: TIME 8338.84 LOAD: AVG 0.117947 MAX 0.180751 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209 MB LDB: TIME 8338.84 LOAD: AVG 0.117947 MAX 0.180751 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209 MB LDB: ============== END OF LOAD BALANCING =============== 8338.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8338.84 PRESSURE: 2876400 -285.609 -109.616 254.4 -109.617 40.8687 -102.528 254.4 -102.527 -127.477 GPRESSURE: 2876400 -231.046 -50.1367 290.258 -153.597 39.0853 -33.7649 249.675 -89.0718 -76.8849 PRESSAVG: 2876400 18.0023 0.945974 55.2424 0.94606 41.8607 47.325 55.2424 47.3249 -6.13736 GPRESSAVG: 2876400 17.0993 0.838608 58.2298 1.09041 43.8162 46.6627 55.0464 47.7057 -7.77604 TIMING: 2876400 CPU: 8335.75, 0.00293356/step Wall: 8335.75, 0.00293356/step, 1.73048 hours remaining, 208.542969 MB of memory in use. ENERGY: 2876400 733.9598 2083.1770 1938.7999 111.7971 -206032.2033 17632.2229 0.0000 0.0000 34224.8497 -149307.3969 298.8941 -183532.2466 -149213.5541 298.7989 -124.0723 -89.6150 557702.1322 17.9085 17.7131 PRESSURE: 2876600 -9.78807 80.573 172.247 80.5728 -264.774 -89.8019 172.247 -89.8 -189.952 GPRESSURE: 2876600 -36.4037 89.6523 157.726 108.006 -222.919 -124.619 154.88 -122.417 -123.666 PRESSAVG: 2876600 18.794 -18.4728 34.2006 -18.4729 81.0353 -31.3633 34.2007 -31.3633 -59.078 GPRESSAVG: 2876600 19.4001 -20.6808 35.0658 -17.6677 80.0897 -31.1372 34.5569 -33.3893 -59.0776 TIMING: 2876600 CPU: 8336.33, 0.00290801/step Wall: 8336.33, 0.00290801/step, 1.71524 hours remaining, 208.542969 MB of memory in use. ENERGY: 2876600 750.8267 2089.2804 1947.2687 107.5282 -206242.4172 17719.4631 0.0000 0.0000 34378.5538 -149249.4965 300.2365 -183628.0502 -149154.1883 299.7307 -154.8380 -127.6628 558171.9693 13.5838 13.4707 PRESSURE: 2876800 96.9251 14.4767 108.148 14.4769 -97.6213 -377.811 108.15 -377.811 -2.16287 GPRESSURE: 2876800 207.452 37.5369 188.195 48.6876 -73.6211 -341.616 74.9713 -308.847 -28.7823 PRESSAVG: 2876800 43.9786 25.9235 37.826 25.9236 -3.35961 -27.9178 37.826 -27.9179 -32.6894 GPRESSAVG: 2876800 44.0436 31.024 36.4656 21.2891 -3.64367 -26.937 36.3983 -28.5203 -31.967 TIMING: 2876800 CPU: 8336.91, 0.00290025/step Wall: 8336.91, 0.00290025/step, 1.7105 hours remaining, 208.628906 MB of memory in use. ENERGY: 2876800 747.0158 2165.2860 1955.8689 108.1368 -206352.6795 17992.2298 0.0000 0.0000 34026.4993 -149357.6429 297.1619 -183384.1423 -149259.7471 299.0266 -0.9530 35.0163 556933.4774 2.6432 2.8110 PRESSURE: 2877000 -54.5736 150.039 41.3102 150.037 62.6567 -13.6537 41.3102 -13.6556 7.97234 GPRESSURE: 2877000 -37.2355 121.365 5.69113 199.891 63.6441 -13.3076 1.32873 -49.488 87.4419 PRESSAVG: 2877000 4.82094 32.3324 -17.1611 32.3325 38.3623 -38.4751 -17.1611 -38.475 -23.2168 GPRESSAVG: 2877000 5.81028 28.4913 -17.3355 35.1787 38.0212 -40.389 -16.7173 -37.3821 -24.3937 TIMING: 2877000 CPU: 8337.48, 0.00288464/step Wall: 8337.48, 0.00288464/step, 1.70114 hours remaining, 208.628906 MB of memory in use. ENERGY: 2877000 739.9269 2123.4193 1963.3715 120.8490 -206599.8136 17952.6071 0.0000 0.0000 34314.7884 -149384.8513 299.6796 -183699.6397 -149291.8461 298.7523 5.3518 37.9502 556477.5695 6.6555 6.4793 PRESSURE: 2877200 315.013 34.3777 -42.7704 34.3766 -1.64447 56.2774 -42.7692 56.2772 -35.8173 GPRESSURE: 2877200 357.149 32.4115 -94.079 95.075 -2.31787 18.688 -72.0811 45.5316 9.17612 PRESSAVG: 2877200 6.13524 32.0908 -43.3928 32.0909 25.4624 -21.7076 -43.3928 -21.7074 -15.6798 GPRESSAVG: 2877200 5.94024 33.2092 -43.3644 33.3632 25.2968 -21.4821 -43.4655 -21.969 -15.2151 TIMING: 2877200 CPU: 8338.06, 0.00289296/step Wall: 8338.06, 0.00289296/step, 1.70588 hours remaining, 208.628906 MB of memory in use. ENERGY: 2877200 756.0346 2138.9112 1950.5037 110.5996 -205990.5575 17766.6832 0.0000 0.0000 34065.9308 -149201.8943 297.5062 -183267.8251 -149102.6061 298.5978 92.5170 121.3358 556178.7905 5.3059 5.3406 PRESSURE: 2877400 -116.525 -142.44 -57.7046 -142.439 -374.84 102.763 -57.7053 102.764 -124.111 GPRESSURE: 2877400 -76.3619 -110.496 -28.4085 -146.409 -351.76 124.499 -54.5306 -3.78862 -78.2916 PRESSAVG: 2877400 13.3914 -17.1733 7.17211 -17.1733 52.6585 42.1319 7.172 42.1319 -67.8218 GPRESSAVG: 2877400 12.6228 -18.0352 7.86721 -17.7184 52.8718 44.2692 6.97899 39.1547 -66.9857 TIMING: 2877400 CPU: 8338.64, 0.00289041/step Wall: 8338.64, 0.00289041/step, 1.70422 hours remaining, 208.628906 MB of memory in use. ENERGY: 2877400 742.4810 2092.5381 1951.8480 113.3533 -205971.3945 17601.4696 0.0000 0.0000 34271.2953 -149198.4092 299.2997 -183469.7046 -149104.1850 298.8285 -205.1587 -168.8045 559830.4501 -0.5907 -0.4970 PRESSURE: 2877600 -233.709 8.40388 -354.495 8.4036 -154.34 -137.701 -354.494 -137.701 -45.6886 GPRESSURE: 2877600 -191.974 39.8697 -305.069 25.9129 -140.542 -84.8656 -314.358 -88.239 -2.1061 PRESSAVG: 2877600 45.9765 -2.42281 15.9873 -2.42281 -26.6734 -30.6374 15.9873 -30.6375 -15.9724 GPRESSAVG: 2877600 45.7718 -3.10936 15.9838 -0.356244 -27.8939 -32.5424 14.6706 -27.1343 -14.8972 TIMING: 2877600 CPU: 8339.23, 0.00292272/step Wall: 8339.23, 0.00292272/step, 1.72311 hours remaining, 208.628906 MB of memory in use. ENERGY: 2877600 742.9569 2029.2047 1981.0355 111.0511 -205977.9345 17622.9700 0.0000 0.0000 34256.4163 -149234.3000 299.1698 -183490.7163 -149122.5995 299.1435 -144.5791 -111.5406 559279.6285 1.1102 0.9936 PRESSURE: 2877800 -142.475 -74.2497 0.401778 -74.2495 107.094 -69.2039 0.40148 -69.2042 -66.807 GPRESSURE: 2877800 -45.6099 -18.6089 -72.2334 -69.0419 132.669 -55.8536 -43.473 -28.872 -85.1009 PRESSAVG: 2877800 16.5033 33.4199 -55.6162 33.42 32.2414 -12.18 -55.6162 -12.1801 -45.8591 GPRESSAVG: 2877800 17.9733 33.17 -58.0322 33.1543 33.4079 -13.7298 -51.9872 -11.3723 -48.044 TIMING: 2877800 CPU: 8339.81, 0.00291497/step Wall: 8339.81, 0.00291497/step, 1.71838 hours remaining, 208.628906 MB of memory in use. ENERGY: 2877800 738.1295 2027.8927 1964.0457 108.2259 -206606.3918 17964.2998 0.0000 0.0000 34531.8849 -149271.9134 301.5755 -183803.7983 -149169.8242 299.8759 -34.0626 0.6529 558328.5612 0.9619 1.1124 PRESSURE: 2878000 138.316 -121.876 -53.2389 -121.876 50.2914 45.9969 -53.24 45.9969 -88.3687 GPRESSURE: 2878000 132.086 -140.142 -58.3364 -103.379 138.836 5.23091 -33.5477 107.438 -67.6843 PRESSAVG: 2878000 7.11295 1.54067 43.0289 1.54067 -77.1187 14.7475 43.0288 14.7474 40.0783 GPRESSAVG: 2878000 6.36422 2.7782 44.9077 0.638163 -76.0012 15.9652 39.9035 13.5683 40.3093 TIMING: 2878000 CPU: 8340.39, 0.00292167/step Wall: 8340.39, 0.00292167/step, 1.72216 hours remaining, 208.628906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2878000 758.4379 2040.2497 1951.9826 110.4269 -206222.1910 17924.6206 0.0000 0.0000 34198.5654 -149237.9079 298.6646 -183436.4733 -149142.9223 299.3815 33.4127 67.7461 559084.1927 -9.9758 -9.7759 PRESSURE: 2878200 -207.618 54.2521 -36.2449 54.2511 -122.112 5.7508 -36.2449 5.75051 45.7272 GPRESSURE: 2878200 -66 95.9191 -45.3815 59.7595 -102.689 8.74151 -97.67 7.84316 -23.8175 PRESSAVG: 2878200 -31.74 -11.3039 6.50459 -11.3038 32.4728 -18.0249 6.5046 -18.0247 63.0492 GPRESSAVG: 2878200 -30.8006 -11.243 7.27351 -13.5489 31.2825 -17.8552 7.34879 -18.5884 63.4883 TIMING: 2878200 CPU: 8340.98, 0.00291852/step Wall: 8340.98, 0.00291852/step, 1.72014 hours remaining, 208.628906 MB of memory in use. ENERGY: 2878200 735.2699 2077.8542 1938.1795 112.4509 -205711.1005 17565.8270 0.0000 0.0000 34038.9789 -149242.5401 297.2709 -183281.5191 -149151.2370 299.4676 -94.6676 -64.1689 560123.6212 21.2607 21.3234 PRESSURE: 2878400 -88.5082 -191.79 19.41 -191.789 84.7296 -216.185 19.4099 -216.185 44.8736 GPRESSURE: 2878400 -113.351 -155.416 15.908 -141.681 148.803 -223.657 -55.592 -278.318 102.179 PRESSAVG: 2878400 2.98431 -7.80798 -9.43639 -7.80799 -11.6676 -33.1951 -9.43635 -33.1952 11.6812 GPRESSAVG: 2878400 2.20291 -6.12967 -11.7988 -7.2221 -11.3844 -33.8479 -7.77814 -32.5803 12.0242 TIMING: 2878400 CPU: 8341.56, 0.00289493/step Wall: 8341.56, 0.00289493/step, 1.70608 hours remaining, 208.628906 MB of memory in use. ENERGY: 2878400 704.1494 2077.0330 1960.8075 123.1601 -206148.1837 17717.5938 0.0000 0.0000 34373.3676 -149192.0723 300.1912 -183565.4399 -149102.6841 299.4646 13.6983 45.8769 558532.3559 0.9993 0.9476 PRESSURE: 2878600 -5.95827 -80.8094 -16.1377 -80.8096 -210.815 63.3044 -16.1376 63.304 -39.8845 GPRESSURE: 2878600 63.0853 -107.361 -29.3565 -119.365 -165.106 63.6967 35.1507 87.4277 -47.4543 PRESSAVG: 2878600 20.6828 -10.654 33.5918 -10.654 -26.1702 -23.4324 33.5917 -23.4322 10.8605 GPRESSAVG: 2878600 20.6488 -13.0051 35.3564 -8.85601 -25.2297 -21.3242 32.3006 -23.4087 10.0132 TIMING: 2878600 CPU: 8342.14, 0.00290719/step Wall: 8342.14, 0.00290719/step, 1.71314 hours remaining, 208.628906 MB of memory in use. ENERGY: 2878600 750.4423 2128.5592 1955.8278 112.3365 -206282.3838 17771.2622 0.0000 0.0000 34418.8758 -149145.0801 300.5886 -183563.9559 -149051.3658 299.9934 -85.5527 -49.8250 558589.3801 1.7910 1.8108 PRESSURE: 2878800 26.2431 30.1422 -38.8837 30.1428 9.98155 50.9415 -38.883 50.9419 -45.0113 GPRESSURE: 2878800 39.9251 102.735 -18.6823 -0.28877 74.3593 94.0793 -16.5377 -54.7794 -23.6488 PRESSAVG: 2878800 -6.5698 10.2559 -6.11846 10.256 30.1537 -34.7817 -6.11839 -34.7817 -22.9123 GPRESSAVG: 2878800 -5.35825 8.89996 -6.32931 10.7971 30.6564 -36.2689 -6.94879 -35.5818 -23.9999 TIMING: 2878800 CPU: 8342.72, 0.00290411/step Wall: 8342.72, 0.00290411/step, 1.71117 hours remaining, 208.628906 MB of memory in use. ENERGY: 2878800 755.4500 2085.4042 1952.6584 106.8318 -206421.1652 18086.8524 0.0000 0.0000 34104.1976 -149329.7710 297.8404 -183433.9685 -149230.6471 299.1351 -2.9289 30.2118 559252.8533 0.2239 0.4328 PRESSURE: 2879000 -119.511 -129.335 -13.0576 -129.334 -232.086 14.0508 -13.0578 14.0493 -97.9573 GPRESSURE: 2879000 -87.1837 -62.2828 -20.4396 -75.401 -202.996 16.6918 -26.3978 0.529079 -68.8227 PRESSAVG: 2879000 -47.1593 20.101 -27.2443 20.1011 -10.6837 27.9337 -27.2442 27.9336 56.8759 GPRESSAVG: 2879000 -47.7488 21.5142 -26.7585 18.7732 -10.1325 29.3613 -29.2432 27.3679 57.1532 TIMING: 2879000 CPU: 8343.3, 0.00291053/step Wall: 8343.3, 0.00291053/step, 1.71479 hours remaining, 208.628906 MB of memory in use. ENERGY: 2879000 751.7125 2066.5027 1949.4335 102.0364 -206013.3878 17610.7792 0.0000 0.0000 34145.8849 -149387.0386 298.2045 -183532.9235 -149288.9460 298.4576 -149.8518 -119.6676 559554.1894 -0.3224 -0.2427 PRESSURE: 2879200 32.783 46.5079 39.6657 46.508 163.054 -120.542 39.6653 -120.542 -147.612 GPRESSURE: 2879200 28.1802 56.7769 6.69239 44.217 177.34 -104.808 2.45486 -66.8794 -51.0655 PRESSAVG: 2879200 17.0151 -10.9152 -21.8616 -10.9152 -24.8716 -8.60273 -21.8615 -8.60278 15.5819 GPRESSAVG: 2879200 16.3046 -9.52121 -22.2073 -11.2155 -25.3743 -9.11777 -21.1804 -8.08917 17.3103 TIMING: 2879200 CPU: 8343.88, 0.00291366/step Wall: 8343.88, 0.00291366/step, 1.71647 hours remaining, 208.628906 MB of memory in use. ENERGY: 2879200 728.4731 2125.1461 1950.0954 117.3527 -206066.1688 17814.4705 0.0000 0.0000 33994.8014 -149335.8296 296.8851 -183330.6309 -149245.9329 298.6074 16.0749 51.4849 559233.1723 2.5752 2.7468 PRESSURE: 2879400 -38.5362 52.538 74.2733 52.5386 131.283 -69.6402 74.2734 -69.6409 11.5544 GPRESSURE: 2879400 2.35585 94.835 60.0988 91.9932 182.759 -100.521 5.98272 -125.209 11.071 PRESSAVG: 2879400 68.7324 24.4117 21.3579 24.4117 11.5433 22.2661 21.3578 22.266 -58.3073 GPRESSAVG: 2879400 69.4591 20.9594 20.9115 27.1207 11.2447 22.3493 23.7983 20.9987 -58.6391 TIMING: 2879400 CPU: 8344.47, 0.00291073/step Wall: 8344.47, 0.00291073/step, 1.71458 hours remaining, 208.871094 MB of memory in use. ENERGY: 2879400 704.0319 2071.9256 1978.6316 106.2767 -206120.4599 17831.3849 0.0000 0.0000 34140.2787 -149287.9304 298.1555 -183428.2091 -149195.5801 298.8190 34.7670 65.3951 556461.8126 7.3228 7.3549 PRESSURE: 2879600 -157.951 -11.1231 79.8972 -11.1223 -171.951 36.394 79.8964 36.3949 -248.404 GPRESSURE: 2879600 -136.462 -74.1753 81.0728 11.6778 -125.43 87.8306 51.4988 -17.0851 -220.206 PRESSAVG: 2879600 59.0873 15.2892 6.11381 15.2892 13.9061 -45.7075 6.11379 -45.7076 -68.2791 GPRESSAVG: 2879600 58.2493 17.6121 7.23022 12.767 14.0567 -45.6534 5.29526 -44.4517 -67.8301 TIMING: 2879600 CPU: 8345.04, 0.00288657/step Wall: 8345.04, 0.00288657/step, 1.70019 hours remaining, 208.871094 MB of memory in use. ENERGY: 2879600 724.8689 2051.3953 1960.9433 108.4964 -205812.7676 17603.2591 0.0000 0.0000 34082.2693 -149281.5353 297.6489 -183363.8045 -149183.8471 298.5667 -192.7687 -160.6991 558893.0588 1.5715 1.4920 PRESSURE: 2879800 -8.86036 147.824 -54.1039 147.824 -162.34 -155.366 -54.1039 -155.365 -221.242 GPRESSURE: 2879800 59.4971 142.181 -23.1452 144.465 -144.008 -213.225 -73.919 -90.8723 -206.616 PRESSAVG: 2879800 42.5071 -50.5162 14.0643 -50.5162 1.54833 -47.9126 14.0644 -47.9125 -69.4007 GPRESSAVG: 2879800 42.2372 -50.6291 13.4577 -49.2402 1.59175 -48.1903 13.9732 -48.6704 -69.0553 TIMING: 2879800 CPU: 8345.62, 0.00290383/step Wall: 8345.62, 0.00290383/step, 1.71019 hours remaining, 208.871094 MB of memory in use. ENERGY: 2879800 708.9241 2096.9269 1974.9410 127.7738 -206063.7297 17724.6054 0.0000 0.0000 34064.5486 -149366.0099 297.4942 -183430.5585 -149269.0943 298.8946 -130.8142 -97.0424 560031.6374 -8.4484 -8.4088 PRESSURE: 2880000 215.209 -6.03426 -5.25789 -6.03398 76.0679 -50.9456 -5.25864 -50.9436 26.1559 GPRESSURE: 2880000 237.891 30.4398 58.8119 -16.4309 136.774 3.64378 13.9496 -124.055 45.8784 PRESSAVG: 2880000 21.5578 -13.7855 12.1812 -13.7854 -25.3967 -11.3305 12.1812 -11.3304 4.71591 GPRESSAVG: 2880000 22.1166 -12.8259 13.8176 -14.5518 -26.1733 -10.7358 13.0428 -10.8029 5.02648 TIMING: 2880000 CPU: 8346.2, 0.00290376/step Wall: 8346.2, 0.00290376/step, 1.70999 hours remaining, 208.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2880000 738.8815 2079.7176 1970.5663 92.5767 -206344.5458 17981.5409 0.0000 0.0000 34102.5730 -149378.6899 297.8263 -183481.2628 -149277.4834 298.8491 105.8111 140.1809 558855.2194 0.2923 0.3233 PRESSURE: 2880200 226.486 19.5787 176.521 19.5793 -138.477 -105.405 176.522 -105.405 -152.027 GPRESSURE: 2880200 190.067 23.265 117.516 24.0668 -12.3003 -96.2869 204.214 -165.53 -134.642 PRESSAVG: 2880200 41.2797 8.28399 30.2552 8.28398 23.1564 -33.2112 30.2552 -33.2111 -26.5629 GPRESSAVG: 2880200 40.5311 7.60107 26.3425 8.18947 23.0834 -32.925 30.9932 -34.7551 -25.9541 TIMING: 2880200 CPU: 8346.78, 0.00289605/step Wall: 8346.78, 0.00289605/step, 1.70529 hours remaining, 208.871094 MB of memory in use. ENERGY: 2880200 787.1004 2099.2743 1971.8941 117.2686 -206263.0521 17800.6252 0.0000 0.0000 34230.3488 -149256.5408 298.9421 -183486.8896 -149154.7245 298.1701 -21.3392 14.3749 557592.3739 12.6244 12.5535 LDB: ============= START OF LOAD BALANCING ============== 8350.17 LDB: ============== END OF LOAD BALANCING =============== 8350.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8350.17 LDB: ============= START OF LOAD BALANCING ============== 8350.46 LDB: Largest compute 4820 load 0.024395 is 20.7% of average load 0.117939 LDB: Average compute 0.001755 is 1.5% of average load 0.117939 LDB: TIME 8350.47 LOAD: AVG 0.117939 MAX 0.179278 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.047 MB LDB: TIME 8350.47 LOAD: AVG 0.117939 MAX 0.179278 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: TIME 8350.47 LOAD: AVG 0.117939 MAX 0.179278 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8350.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8350.47 PRESSURE: 2880400 -107.821 -56.8329 23.9125 -56.8338 -42.2159 -153.907 23.9124 -153.907 -35.9126 GPRESSURE: 2880400 -62.817 -48.4526 42.5193 -67.3928 -34.0322 -96.985 15.0413 -185.327 13.8822 PRESSAVG: 2880400 22.2687 -2.81362 38.7338 -2.81356 -10.1233 -19.3886 38.7338 -19.3887 -44.9234 GPRESSAVG: 2880400 23.2621 -3.17327 41.6097 -2.7102 -10.0156 -19.0949 38.9475 -19.8782 -45.4998 TIMING: 2880400 CPU: 8347.38, 0.00296452/step Wall: 8347.38, 0.00296452/step, 1.74545 hours remaining, 209.281250 MB of memory in use. ENERGY: 2880400 742.7899 2079.1888 1976.2686 105.1578 -206123.1873 17864.0614 0.0000 0.0000 34157.3907 -149198.3300 298.3050 -183355.7207 -149102.1742 299.6016 -61.9832 -27.6557 558045.9475 -10.9260 -10.7511 PRESSURE: 2880600 -219.572 137.447 -7.60855 137.447 -411.653 85.4879 -7.60969 85.4877 -127.943 GPRESSURE: 2880600 -174.508 208.682 -6.23015 154.699 -404.217 158.958 -52.5727 45.105 -93.2634 PRESSAVG: 2880600 24.1154 1.3602 50.7601 1.36017 -56.004 -33.1563 50.76 -33.1564 -2.88898 GPRESSAVG: 2880600 24.6743 0.0529628 50.2989 2.21783 -56.3936 -32.7223 48.8161 -34.6354 -2.86111 TIMING: 2880600 CPU: 8347.96, 0.00290037/step Wall: 8347.96, 0.00290037/step, 1.70751 hours remaining, 209.742188 MB of memory in use. ENERGY: 2880600 756.3895 2093.3556 1932.8689 110.6642 -205924.1984 17426.2342 0.0000 0.0000 34234.8581 -149369.8279 298.9815 -183604.6860 -149266.1791 299.1572 -253.0556 -223.9959 557972.2597 -11.5925 -11.5268 PRESSURE: 2880800 15.6164 -12.7929 208.112 -12.7924 -33.9555 -46.9546 208.113 -46.9562 -184.015 GPRESSURE: 2880800 38.0198 32.9718 291.249 -133.837 7.42846 -61.3139 191.425 -33.7242 -155.12 PRESSAVG: 2880800 -47.6077 35.8133 36.7087 35.8133 -2.92609 -8.97078 36.7089 -8.97072 27.2062 GPRESSAVG: 2880800 -49.0735 39.3082 37.5089 34.7149 -2.67496 -10.4699 37.4201 -6.62812 28.3174 TIMING: 2880800 CPU: 8348.53, 0.00288109/step Wall: 8348.53, 0.00288109/step, 1.696 hours remaining, 209.742188 MB of memory in use. ENERGY: 2880800 717.0229 2125.4543 1947.0144 113.0142 -205894.2043 17529.3646 0.0000 0.0000 34168.4331 -149293.9008 298.4014 -183462.3339 -149201.9162 299.0179 -67.4514 -36.5571 558424.1692 -7.7759 -7.8104 PRESSURE: 2881000 29.2664 -120.957 -59.5464 -120.958 206.304 180.037 -59.5455 180.039 -49.7247 GPRESSURE: 2881000 104.214 -155.682 -19.1767 -65.6953 198.813 112.055 -134.013 162.792 -18.9429 PRESSAVG: 2881000 -49.3954 -19.8107 19.2713 -19.8107 -14.352 -25.398 19.2713 -25.398 25.7387 GPRESSAVG: 2881000 -48.7431 -21.0464 19.841 -19.4852 -14.9171 -27.0506 19.3158 -23.9506 25.6492 TIMING: 2881000 CPU: 8349.11, 0.00289239/step Wall: 8349.11, 0.00289239/step, 1.70249 hours remaining, 209.796875 MB of memory in use. ENERGY: 2881000 706.2236 2068.4422 1950.3292 98.0385 -206287.4307 17888.6802 0.0000 0.0000 34310.6208 -149265.0962 299.6432 -183575.7170 -149165.9741 298.7548 61.9484 94.6944 559025.1528 -12.6696 -12.6703 PRESSURE: 2881200 27.7085 132.865 24.2186 132.864 59.9254 2.96535 24.2178 2.9643 -13.208 GPRESSURE: 2881200 46.9006 104.794 147.903 90.2398 116.837 -1.56882 11.5928 -62.7082 9.91293 PRESSAVG: 2881200 29.3508 -11.7364 -1.59825 -11.7364 -15.4311 27.4193 -1.59825 27.4194 -0.125665 GPRESSAVG: 2881200 29.5144 -11.2232 -2.16641 -13.0088 -14.3172 29.2262 0.233982 25.8723 -0.98167 TIMING: 2881200 CPU: 8349.69, 0.00289482/step Wall: 8349.69, 0.00289482/step, 1.70376 hours remaining, 209.796875 MB of memory in use. ENERGY: 2881200 789.2562 2132.1319 1948.4647 113.2803 -206417.6181 18036.1997 0.0000 0.0000 34298.5557 -149099.7296 299.5378 -183398.2853 -149010.8231 299.5499 24.8086 57.8834 558784.1769 4.5980 4.7385 PRESSURE: 2881400 81.8781 107.967 -185.5 107.965 14.052 -78.6525 -185.501 -78.6533 202.053 GPRESSURE: 2881400 87.3105 33.2293 -128.697 153.911 80.5958 -124.48 -179.023 -62.7122 220.743 PRESSAVG: 2881400 36.3992 3.92041 -0.781902 3.92041 -22.4691 -52.4983 -0.781901 -52.4983 24.4901 GPRESSAVG: 2881400 36.6295 3.6893 -0.505458 4.77732 -21.1702 -52.3279 -2.25106 -52.4507 23.1553 TIMING: 2881400 CPU: 8350.27, 0.00289598/step Wall: 8350.27, 0.00289598/step, 1.70428 hours remaining, 209.796875 MB of memory in use. ENERGY: 2881400 756.7023 2038.0141 1952.5542 100.5817 -206423.5312 18047.4869 0.0000 0.0000 34363.3917 -149164.8003 300.1040 -183528.1920 -149066.2449 299.6902 99.3276 129.5496 557605.5819 12.8067 12.8715 PRESSURE: 2881600 98.7794 33.9374 -60.3928 33.9381 332.933 -40.4305 -60.3921 -40.4306 234.295 GPRESSURE: 2881600 174.478 -63.4623 9.49373 55.6403 316.443 55.6502 -51.2071 -32.8589 275.265 PRESSAVG: 2881600 17.6669 15.7522 -24.6812 15.7522 -88.9913 -27.5504 -24.6811 -27.5505 37.6471 GPRESSAVG: 2881600 16.7613 15.9345 -24.6914 14.5499 -90.127 -29.9833 -25.218 -27.4013 39.9214 TIMING: 2881600 CPU: 8350.85, 0.00288819/step Wall: 8350.85, 0.00288819/step, 1.69954 hours remaining, 209.796875 MB of memory in use. ENERGY: 2881600 725.7872 2107.6875 1925.8901 96.5206 -206567.9624 18345.5438 0.0000 0.0000 34216.9861 -149149.5471 298.8255 -183366.5333 -149056.8391 299.7074 222.0026 255.3953 558795.5349 -11.2257 -11.1481 PRESSURE: 2881800 -390.192 9.43318 -40.516 9.43273 189.486 -92.4451 -40.5152 -92.445 -10.9954 GPRESSURE: 2881800 -309.514 76.4476 -27.6706 73.3334 189.116 -130.047 -83.8145 -93.8064 -2.20511 PRESSAVG: 2881800 -27.467 15.1586 0.734209 15.1585 78.8252 43.6439 0.73422 43.6439 -37.4822 GPRESSAVG: 2881800 -27.3824 14.8321 0.556644 16.0117 79.7426 45.0544 0.220249 42.6691 -38.488 TIMING: 2881800 CPU: 8351.42, 0.00288452/step Wall: 8351.42, 0.00288452/step, 1.69722 hours remaining, 209.796875 MB of memory in use. ENERGY: 2881800 738.4927 2109.9658 1937.5367 125.3931 -206440.5772 17959.1692 0.0000 0.0000 34432.0983 -149137.9214 300.7041 -183570.0197 -149038.5992 299.0249 -70.5672 -40.8676 557686.9432 4.6253 4.6241 PRESSURE: 2882000 -198.059 5.68196 51.1692 5.68218 -187.428 101.955 51.1697 101.955 -53.6169 GPRESSURE: 2882000 -147.463 94.714 60.0278 -57.9501 -144.024 156.123 19.499 29.8035 -39.4217 PRESSAVG: 2882000 -80.101 39.3163 15.6511 39.3162 40.8585 -56.2122 15.6512 -56.2121 25.3313 GPRESSAVG: 2882000 -78.9315 39.5732 16.6627 39.2779 40.6796 -55.8645 15.9251 -54.6553 24.3016 TIMING: 2882000 CPU: 8352, 0.00287436/step Wall: 8352, 0.00287436/step, 1.69108 hours remaining, 209.796875 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: 2882000 772.8079 2045.4361 1990.7873 112.2687 -205686.2314 17523.5546 0.0000 0.0000 34046.6462 -149194.7306 297.3378 -183241.3768 -149096.2724 298.8855 -146.3680 -110.3026 558408.2586 -4.6371 -4.6501 PRESSURE: 2882200 278.888 5.33389 86.6181 5.33506 158.175 25.2649 86.6186 25.2645 69.6162 GPRESSURE: 2882200 277.912 37.5001 23.273 28.2075 163.748 63.7645 91.9591 78.1317 155.095 PRESSAVG: 2882200 -39.3696 17.0457 -31.5724 17.0458 66.7482 -52.2556 -31.5723 -52.2555 -35.858 GPRESSAVG: 2882200 -39.7065 15.0538 -33.0327 18.6217 66.6768 -50.772 -31.7521 -54.3615 -35.5654 TIMING: 2882200 CPU: 8352.58, 0.00290043/step Wall: 8352.58, 0.00290043/step, 1.70626 hours remaining, 209.796875 MB of memory in use. ENERGY: 2882200 723.1723 2092.6479 1971.3333 109.6480 -206346.3908 18254.8788 0.0000 0.0000 34091.4171 -149103.2934 297.7288 -183194.7105 -149011.9405 298.7357 168.8928 198.9184 560059.6987 -2.8265 -2.8650 PRESSURE: 2882400 -148.114 77.0463 -149.673 77.0462 -180.666 21.272 -149.672 21.2706 -23.5044 GPRESSURE: 2882400 -73.9139 90.3865 -105.62 79.1323 -185.894 4.77629 -158.931 57.0349 9.24429 PRESSAVG: 2882400 -39.2772 -13.9408 -0.995046 -13.9408 4.19128 31.7277 -0.995015 31.7276 20.1137 GPRESSAVG: 2882400 -38.8317 -12.2655 0.0366253 -14.9257 3.2593 30.9125 -0.931383 32.3747 20.9485 TIMING: 2882400 CPU: 8353.15, 0.00287562/step Wall: 8353.15, 0.00287562/step, 1.6915 hours remaining, 209.796875 MB of memory in use. ENERGY: 2882400 728.3117 2062.3560 1938.8627 120.7015 -205774.3815 17695.0717 0.0000 0.0000 34278.2594 -148950.8185 299.3606 -183229.0779 -148855.2906 299.5616 -117.4282 -83.5213 559041.3409 -4.9907 -4.8746 PRESSURE: 2882600 149.989 101.667 -84.435 101.667 323.382 -123.428 -84.4351 -123.427 125.379 GPRESSURE: 2882600 142.561 55.8816 -87.1438 109.194 414.936 -129.057 -60.3205 -137.237 135.065 PRESSAVG: 2882600 -10.0897 -11.2934 -26.8944 -11.2934 16.2247 -18.6999 -26.8943 -18.6998 34.0922 GPRESSAVG: 2882600 -9.75621 -10.9628 -29.9496 -12.5379 16.7612 -19.6891 -24.8404 -16.8232 32.9486 TIMING: 2882600 CPU: 8353.73, 0.00288704/step Wall: 8353.73, 0.00288704/step, 1.69806 hours remaining, 209.796875 MB of memory in use. ENERGY: 2882600 695.2158 2052.4688 1953.2319 116.1948 -206306.9529 18133.0618 0.0000 0.0000 34241.1484 -149115.6314 299.0365 -183356.7798 -149022.2745 299.7584 199.5830 230.8541 558414.7364 13.4091 13.3179 PRESSURE: 2882800 80.505 81.4022 -102.735 81.4016 30.29 61.3851 -102.735 61.3847 260.258 GPRESSURE: 2882800 124.775 111.478 -126.623 56.1269 36.9032 62.3939 3.21768 -20.2804 307.088 PRESSAVG: 2882800 -23.5684 37.6023 0.128102 37.6022 56.2567 -46.991 0.128198 -46.991 -19.7609 GPRESSAVG: 2882800 -23.0717 40.479 1.79113 36.4013 56.6926 -45.8921 -0.784531 -48.9078 -20.4022 TIMING: 2882800 CPU: 8354.31, 0.0028755/step Wall: 8354.31, 0.0028755/step, 1.69111 hours remaining, 209.796875 MB of memory in use. ENERGY: 2882800 747.2327 2021.3728 1955.8740 103.6798 -206407.0931 18146.7702 0.0000 0.0000 34414.2965 -149017.8671 300.5486 -183432.1635 -148921.6633 299.7368 123.6843 156.2553 558388.9329 4.3091 4.4063 PRESSURE: 2883000 78.5886 68.6072 223.359 68.6059 -45.7953 -193.01 223.359 -193.01 153.106 GPRESSURE: 2883000 87.1961 54.7938 225.276 105.317 17.6026 -249.059 206.101 -151.113 180.867 PRESSAVG: 2883000 -83.9815 23.0418 31.8213 23.0419 -4.39571 -38.6634 31.8213 -38.6634 52.2803 GPRESSAVG: 2883000 -85.6964 19.3694 29.532 25.2371 -4.76605 -37.7561 33.3636 -37.9839 54.6158 TIMING: 2883000 CPU: 8354.88, 0.00289121/step Wall: 8354.88, 0.00289121/step, 1.70019 hours remaining, 209.796875 MB of memory in use. ENERGY: 2883000 742.2871 2002.5486 1966.5485 112.7293 -206174.8100 18014.5952 0.0000 0.0000 34302.3255 -149033.7759 299.5707 -183336.1014 -148940.8459 299.6845 61.9664 95.2220 557215.3215 -12.0323 -11.9489 PRESSURE: 2883200 -161.211 105.457 -50.8431 105.456 128.657 -133.856 -50.8426 -133.856 409.099 GPRESSURE: 2883200 -167.345 75.9739 -48.4055 -22.6545 196.093 -112.68 -1.01714 -42.7064 442.474 PRESSAVG: 2883200 -61.2855 24.6843 73.5271 24.6843 47.5083 -83.6882 73.5271 -83.6881 36.7327 GPRESSAVG: 2883200 -61.4045 25.1144 75.7044 24.75 47.3277 -84.4806 71.6934 -83.1538 37.379 TIMING: 2883200 CPU: 8355.47, 0.00291312/step Wall: 8355.47, 0.00291312/step, 1.71291 hours remaining, 209.796875 MB of memory in use. ENERGY: 2883200 737.0036 2073.4066 1939.4987 107.9136 -206169.8931 17850.8798 0.0000 0.0000 34382.5014 -149078.6895 300.2709 -183461.1908 -148990.1914 299.4173 125.5149 157.0738 557783.0615 7.6518 7.7674 PRESSURE: 2883400 27.0004 21.4085 -100.61 21.408 -177.333 40.4096 -100.609 40.41 -284.812 GPRESSURE: 2883400 88.9117 -16.2998 -44.9352 44.0504 -185.334 84.7543 -125.728 52.5559 -233.002 PRESSAVG: 2883400 -5.01919 -3.95281 -1.52547 -3.95288 12.3723 43.1855 -1.5255 43.1856 3.83628 GPRESSAVG: 2883400 -3.08629 -3.98429 -3.69362 -4.75375 12.6666 42.1222 -0.191973 43.9906 2.01455 TIMING: 2883400 CPU: 8356.05, 0.00290298/step Wall: 8356.05, 0.00290298/step, 1.70679 hours remaining, 209.796875 MB of memory in use. ENERGY: 2883400 749.4887 2092.9764 1945.4321 105.7511 -206065.0569 17735.1044 0.0000 0.0000 34390.8420 -149045.4623 300.3438 -183436.3042 -148949.3727 299.9879 -145.0483 -109.8078 557817.3218 3.7298 3.8650 PRESSURE: 2883600 316.011 8.1523 271.585 8.15294 410.412 -175.168 271.587 -175.167 302.952 GPRESSURE: 2883600 277.046 -39.3037 263.097 -3.52294 489.871 -197.139 155.217 -220.4 357.589 PRESSAVG: 2883600 -27.4634 38.1168 -30.951 38.1168 61.1013 -24.5337 -30.9509 -24.5336 -39.522 GPRESSAVG: 2883600 -28.428 37.6462 -29.6432 37.7431 61.1315 -24.5197 -33.8045 -24.9766 -38.6428 TIMING: 2883600 CPU: 8356.63, 0.00289619/step Wall: 8356.63, 0.00289619/step, 1.70264 hours remaining, 209.796875 MB of memory in use. ENERGY: 2883600 710.7541 2079.4683 1946.7172 116.2397 -206395.6634 18172.4268 0.0000 0.0000 34366.4348 -149003.6225 300.1306 -183370.0573 -148904.1601 299.8144 343.1249 374.8353 556854.5261 -1.9614 -1.9798 PRESSURE: 2883800 -86.2028 201.101 -39.4896 201.1 -70.3634 -46.7515 -39.4891 -46.752 -48.1015 GPRESSURE: 2883800 -46.9451 294.599 86.6596 193.039 -38.8974 -59.8379 -119.758 -80.8418 -30.847 PRESSAVG: 2883800 4.90745 65.8336 -16.749 65.8336 23.7008 -2.18867 -16.749 -2.18862 15.787 GPRESSAVG: 2883800 5.58897 65.4176 -15.0086 65.2765 23.0984 -2.28036 -17.1645 -3.19773 15.5243 TIMING: 2883800 CPU: 8357.2, 0.00288544/step Wall: 8357.2, 0.00288544/step, 1.69616 hours remaining, 209.796875 MB of memory in use. ENERGY: 2883800 736.0968 2073.2819 1967.6188 112.2223 -206041.9705 17715.5746 0.0000 0.0000 34397.2633 -149039.9127 300.3999 -183437.1760 -148946.5427 299.6698 -68.2225 -38.8965 558925.1482 14.7984 14.7372 PRESSURE: 2884000 -118.288 22.9916 -18.078 22.9922 -173.276 -91.5773 -18.0777 -91.5779 -42.8289 GPRESSURE: 2884000 -114.049 -80.0034 34.6325 61.1287 -92.5867 -162.874 -38.039 -104.299 -24.8726 PRESSAVG: 2884000 -81.9178 19.4041 -20.6529 19.4041 -12.6253 -74.7952 -20.6528 -74.7952 61.3401 GPRESSAVG: 2884000 -82.0253 20.1475 -20.2461 21.7243 -11.2382 -74.9129 -18.1571 -76.4128 60.0449 TIMING: 2884000 CPU: 8357.78, 0.00289344/step Wall: 8357.78, 0.00289344/step, 1.7007 hours remaining, 209.796875 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: 2884000 758.6579 2093.5668 1950.5947 114.7019 -205490.7420 17496.4810 0.0000 0.0000 34154.8323 -148921.9075 298.2826 -183076.7397 -148820.5512 299.7039 -111.4644 -77.1695 558452.4944 -11.0677 -11.0729 PRESSURE: 2884200 -264.385 27.1798 119.017 27.1804 -99.445 22.1459 119.016 22.1452 -324.233 GPRESSURE: 2884200 -212.286 -15.9205 126.933 111.004 -66.0615 9.72972 166.691 -14.6512 -315.691 PRESSAVG: 2884200 -9.34319 40.9409 -3.982 40.941 42.507 -41.3267 -3.98198 -41.3267 -0.963961 GPRESSAVG: 2884200 -9.6216 41.3283 -6.43134 39.6679 41.997 -41.7646 -3.22816 -38.4585 -0.129266 TIMING: 2884200 CPU: 8358.36, 0.00289259/step Wall: 8358.36, 0.00289259/step, 1.70004 hours remaining, 209.796875 MB of memory in use. ENERGY: 2884200 778.7909 2093.5894 1963.0466 111.8105 -206020.6007 17708.3975 0.0000 0.0000 34377.8697 -148987.0960 300.2305 -183364.9657 -148895.8179 299.2355 -229.3543 -198.0127 560544.3001 10.7333 10.7487 LDB: ============= START OF LOAD BALANCING ============== 8361.75 LDB: ============== END OF LOAD BALANCING =============== 8361.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8361.75 LDB: ============= START OF LOAD BALANCING ============== 8362.04 LDB: Largest compute 4800 load 0.026487 is 22.5% of average load 0.117895 LDB: Average compute 0.001751 is 1.5% of average load 0.117895 LDB: TIME 8362.04 LOAD: AVG 0.117895 MAX 0.179044 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.746 MB LDB: TIME 8362.04 LOAD: AVG 0.117895 MAX 0.179044 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.746 MB LDB: TIME 8362.04 LOAD: AVG 0.117895 MAX 0.179044 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.746 MB LDB: ============== END OF LOAD BALANCING =============== 8362.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8362.05 PRESSURE: 2884400 180.458 87.4049 -8.32307 87.4043 -101.35 27.5773 -8.32233 27.5777 -151.814 GPRESSURE: 2884400 192.906 115.943 42.1778 111.203 -76.7986 -11.0918 -10.6646 61.1561 -105.822 PRESSAVG: 2884400 -16.5849 16.7901 29.01 16.7901 49.4764 -44.2826 29.01 -44.2827 -18.9989 GPRESSAVG: 2884400 -16.5318 17.9889 31.0097 17.156 48.8272 -43.5897 28.8877 -45.2578 -18.7008 TIMING: 2884400 CPU: 8358.95, 0.00295607/step Wall: 8358.95, 0.00295607/step, 1.73718 hours remaining, 209.062500 MB of memory in use. ENERGY: 2884400 777.1538 2053.2552 1942.2722 109.0023 -205810.1955 17693.3011 0.0000 0.0000 34202.1389 -149033.0721 298.6958 -183235.2110 -148937.0854 300.1400 -24.2356 3.4285 556887.6651 4.6309 4.5315 PRESSURE: 2884600 347.328 37.7138 -34.3353 37.7137 163.743 26.2896 -34.3353 26.2903 -153.773 GPRESSURE: 2884600 422.211 113.048 -42.4832 50.1098 171.515 -89.5537 47.7129 92.0922 -149.58 PRESSAVG: 2884600 64.3084 17.8744 18.77 17.8744 7.46606 -39.0156 18.77 -39.0155 -78.3453 GPRESSAVG: 2884600 62.9208 17.3804 17.91 18.3687 8.67958 -38.3965 17.772 -38.3539 -78.0376 TIMING: 2884600 CPU: 8359.53, 0.00288096/step Wall: 8359.53, 0.00288096/step, 1.69288 hours remaining, 209.062500 MB of memory in use. ENERGY: 2884600 784.1015 2056.0796 1931.6974 109.5847 -206050.5338 17866.7550 0.0000 0.0000 34261.4329 -149040.8826 299.2136 -183302.3155 -148944.9298 300.1064 119.0994 148.0487 556546.4416 -2.1903 -2.1457 PRESSURE: 2884800 219.344 262.004 -71.3216 262.003 189.831 -170.161 -71.3199 -170.162 152.938 GPRESSURE: 2884800 229.614 203.791 -10.028 212.76 292.769 -196.126 -118.552 -133.332 131.876 PRESSAVG: 2884800 25.2983 41.0199 25.9877 41.0199 -19.8206 -36.9006 25.9876 -36.9005 -33.4325 GPRESSAVG: 2884800 26.6766 41.4703 27.3243 39.5732 -20.7634 -36.8908 26.322 -37.4354 -33.4011 TIMING: 2884800 CPU: 8360.11, 0.0028882/step Wall: 8360.11, 0.0028882/step, 1.69698 hours remaining, 209.113281 MB of memory in use. ENERGY: 2884800 786.1019 2088.8991 1950.2035 111.3152 -206041.3483 17867.1700 0.0000 0.0000 34357.0798 -148880.5788 300.0489 -183237.6585 -148789.1159 300.3816 187.3710 218.0865 557990.1269 -9.3182 -9.1627 PRESSURE: 2885000 -395.036 -61.5897 -83.0724 -61.5921 85.5358 -33.8252 -83.0713 -33.8244 -106.289 GPRESSURE: 2885000 -352.312 62.5042 -125.673 -126.401 70.5396 -35.8015 -148.492 -101.517 -34.766 PRESSAVG: 2885000 -22.7876 33.0546 -40.4485 33.0546 30.8843 -2.83703 -40.4486 -2.83696 10.3069 GPRESSAVG: 2885000 -22.9673 30.4192 -42.2283 36.5991 30.475 -2.33536 -40.7034 -3.79572 10.3481 TIMING: 2885000 CPU: 8360.69, 0.00291836/step Wall: 8360.69, 0.00291836/step, 1.71454 hours remaining, 209.113281 MB of memory in use. ENERGY: 2885000 785.5469 2054.9036 1941.6019 108.8909 -205910.1465 17709.1398 0.0000 0.0000 34320.6249 -148989.4386 299.7306 -183310.0635 -148889.1288 300.2504 -138.5965 -105.5127 558376.6697 6.1345 5.9519 PRESSURE: 2885200 69.1755 -23.46 -47.9031 -23.4582 -91.9825 101.625 -47.9037 101.624 44.3279 GPRESSURE: 2885200 61.2394 23.4952 -3.39839 -34.537 -34.2249 69.7008 -29.894 92.3821 88.0739 PRESSAVG: 2885200 -46.3376 35.4382 -28.166 35.4381 23.5641 14.892 -28.166 14.8919 5.00904 GPRESSAVG: 2885200 -45.513 37.2356 -26.3459 34.2469 23.3845 13.8619 -28.2346 14.7277 4.39203 TIMING: 2885200 CPU: 8361.27, 0.00289496/step Wall: 8361.27, 0.00289496/step, 1.70063 hours remaining, 209.113281 MB of memory in use. ENERGY: 2885200 760.1581 2103.8948 1958.2829 108.3437 -206075.6964 17768.6323 0.0000 0.0000 34231.6885 -149144.6960 298.9539 -183376.3845 -149049.5474 299.7448 7.1736 38.3628 556813.8076 -5.9215 -5.9122 PRESSURE: 2885400 -135.872 70.0858 -122.935 70.085 -217.347 68.8147 -122.936 68.8154 -334.114 GPRESSURE: 2885400 -62.6334 54.5089 -212.757 121.909 -215.552 -25.4254 -132.635 253.186 -320.515 PRESSAVG: 2885400 28.1179 42.416 31.7093 42.416 -88.8246 10.7223 31.7093 10.7224 22.8183 GPRESSAVG: 2885400 28.887 46.1461 30.1374 39.765 -89.6989 11.4306 31.798 12.0754 22.5202 TIMING: 2885400 CPU: 8361.85, 0.0029101/step Wall: 8361.85, 0.0029101/step, 1.70936 hours remaining, 209.113281 MB of memory in use. ENERGY: 2885400 760.5342 2100.2763 1970.0132 122.7315 -205809.5931 17462.3570 0.0000 0.0000 34188.1601 -149205.5209 298.5737 -183393.6809 -149101.7202 299.0726 -229.1111 -199.5670 559053.8998 -12.6295 -12.7639 PRESSURE: 2885600 -78.0425 -83.9732 85.0037 -83.9733 63.0002 -27.2573 85.003 -27.2568 -221.857 GPRESSURE: 2885600 -39.9561 -147.291 78.6097 -12.4394 58.2044 27.0386 71.7959 -62.549 -154.081 PRESSAVG: 2885600 25.0573 47.404 9.66511 47.404 -59.414 21.5181 9.66508 21.5181 9.7178 GPRESSAVG: 2885600 24.8046 43.7251 10.8793 51.1692 -59.8383 20.8372 9.57193 19.7101 10.7949 TIMING: 2885600 CPU: 8362.44, 0.0029454/step Wall: 8362.44, 0.0029454/step, 1.72993 hours remaining, 209.113281 MB of memory in use. ENERGY: 2885600 775.8593 2157.4757 1958.1096 111.1954 -206399.2333 17818.9324 0.0000 0.0000 34302.5222 -149275.1386 299.5725 -183577.6608 -149185.5658 299.5350 -78.9666 -45.2775 557297.7084 -8.2130 -8.0796 PRESSURE: 2885800 40.3992 -16.4312 72.0364 -16.4305 -252.798 160.449 72.0354 160.448 -9.86663 GPRESSURE: 2885800 74.8654 -43.8671 37.9862 -49.8022 -211.371 150.521 96.8632 82.8744 9.48508 PRESSAVG: 2885800 49.1259 -15.7999 60.0571 -15.7999 -59.6084 17.1432 60.0571 17.1432 -26.7792 GPRESSAVG: 2885800 47.6249 -13.4947 60.8674 -17.963 -58.3235 18.2081 57.6461 15.8816 -26.9802 TIMING: 2885800 CPU: 8363.03, 0.00293094/step Wall: 8363.03, 0.00293094/step, 1.72127 hours remaining, 209.113281 MB of memory in use. ENERGY: 2885800 748.6633 2133.3613 1962.8490 109.8722 -206409.8609 17827.0258 0.0000 0.0000 34207.9444 -149420.1449 298.7465 -183628.0893 -149328.9652 299.0648 -74.0885 -42.3403 555754.5413 -12.4206 -12.5596 PRESSURE: 2886000 -121.949 -107.32 -89.5733 -107.32 -227.281 -117.369 -89.5718 -117.37 -123.888 GPRESSURE: 2886000 -117.168 -100.187 -159.783 -129.339 -221.819 -48.2521 -67.6536 -199.156 -43.1278 PRESSAVG: 2886000 -4.52694 51.6748 -21.9753 51.6749 6.55917 -19.7303 -21.9752 -19.7302 -0.697509 GPRESSAVG: 2886000 -4.0249 51.1334 -24.0903 50.8759 6.7633 -20.5836 -20.6762 -18.4002 -1.43606 TIMING: 2886000 CPU: 8363.61, 0.00290896/step Wall: 8363.61, 0.00290896/step, 1.70821 hours remaining, 209.113281 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: 2886000 709.2602 2122.7152 1954.7767 109.4634 -206298.5643 17635.0996 0.0000 0.0000 34274.2737 -149492.9754 299.3258 -183767.2491 -149387.0663 298.8995 -157.7060 -127.3716 556400.1938 0.4449 0.4341 PRESSURE: 2886200 139.166 2.13067 263.594 2.12979 -208.893 -162.601 263.595 -162.6 -31.2043 GPRESSURE: 2886200 151.902 38.6722 158.392 -15.0124 -169.068 -163.602 307.56 -230.17 11.5949 PRESSAVG: 2886200 -47.8128 13.6163 -49.8567 13.6163 -1.79702 14.1277 -49.8567 14.1276 1.97265 GPRESSAVG: 2886200 -48.3167 14.9222 -48.612 13.4905 -1.69045 14.848 -49.7656 12.8452 2.49209 TIMING: 2886200 CPU: 8364.19, 0.00290863/step Wall: 8364.19, 0.00290863/step, 1.70785 hours remaining, 209.113281 MB of memory in use. ENERGY: 2886200 700.9272 2096.6761 1937.0886 103.7787 -206206.4206 17647.1889 0.0000 0.0000 34278.6490 -149442.1120 299.3640 -183720.7610 -149346.2407 298.5595 -33.6439 -1.8568 556700.9728 -15.8790 -15.8384 PRESSURE: 2886400 62.4587 -18.4787 43.0604 -18.4787 10.6379 -67.3425 43.0613 -67.3434 51.542 GPRESSURE: 2886400 114.174 -12.3144 11.7443 -74.0565 32.5922 -124.994 116.093 -61.2324 84.8185 PRESSAVG: 2886400 2.09559 28.9338 26.3323 28.934 13.9777 -10.6186 26.3323 -10.6186 45.9123 GPRESSAVG: 2886400 3.88777 28.2528 24.6073 27.9895 13.3928 -9.56887 27.4013 -8.69449 45.0618 TIMING: 2886400 CPU: 8364.77, 0.00290726/step Wall: 8364.77, 0.00290726/step, 1.70688 hours remaining, 209.113281 MB of memory in use. ENERGY: 2886400 727.5441 2107.5464 1956.2244 116.3155 -206640.6853 17956.8720 0.0000 0.0000 34206.7171 -149569.4658 298.7358 -183776.1828 -149477.4246 299.3085 41.5462 77.1949 555212.2090 20.6619 20.7808 PRESSURE: 2886600 -148.932 51.256 73.5018 51.2573 -203.301 63.5736 73.5018 63.5735 -401.142 GPRESSURE: 2886600 -95.0308 45.1799 1.657 88.1485 -122.371 140.883 52.456 33.0785 -443.611 PRESSAVG: 2886600 -0.118333 9.51119 8.25181 9.51121 6.44079 -7.58854 8.25177 -7.58852 1.75851 GPRESSAVG: 2886600 -0.215247 9.39872 8.23209 10.5273 7.15624 -7.37441 7.52198 -8.10258 1.10837 TIMING: 2886600 CPU: 8365.35, 0.00287311/step Wall: 8365.35, 0.00287311/step, 1.68668 hours remaining, 209.113281 MB of memory in use. ENERGY: 2886600 760.1148 2085.1023 1945.9749 119.2441 -206183.7371 17515.6206 0.0000 0.0000 34140.1105 -149617.5699 298.1541 -183757.6804 -149515.3701 298.7897 -251.1247 -220.3377 557313.0332 2.6937 2.6831 PRESSURE: 2886800 152.641 -160.427 -197.122 -160.427 -118.564 67.1336 -197.123 67.1347 -34.9386 GPRESSURE: 2886800 184.714 -204.197 -102.727 -221.789 -58.7307 30.7293 -234.067 122.382 -31.2995 PRESSAVG: 2886800 8.48619 -20.0508 24.0133 -20.0508 32.4553 -28.6596 24.0132 -28.6596 -37.6261 GPRESSAVG: 2886800 7.96505 -20.7893 27.4671 -20.2192 32.0021 -30.6586 22.6499 -26.9717 -37.2077 TIMING: 2886800 CPU: 8365.92, 0.00286888/step Wall: 8365.92, 0.00286888/step, 1.68404 hours remaining, 209.113281 MB of memory in use. ENERGY: 2886800 771.6990 2113.9710 1961.1936 105.5866 -206378.6792 17944.9803 0.0000 0.0000 33950.3690 -149530.8797 296.4970 -183481.2487 -149436.4012 298.2684 -0.2871 31.5611 555965.8971 1.1051 0.9198 PRESSURE: 2887000 108.397 -92.7345 162.244 -92.7356 190.445 -12.4376 162.245 -12.4358 22.2 GPRESSURE: 2887000 74.9259 -78.7774 154.498 -136.748 235.855 -20.886 136.181 16.734 112.35 PRESSAVG: 2887000 -16.2875 -29.4957 29.8038 -29.4956 34.8445 -38.6148 29.8039 -38.6148 -5.79466 GPRESSAVG: 2887000 -15.8573 -30.009 28.8868 -28.2242 33.8759 -38.8968 29.9834 -37.3905 -5.27063 TIMING: 2887000 CPU: 8366.5, 0.00289307/step Wall: 8366.5, 0.00289307/step, 1.69807 hours remaining, 209.113281 MB of memory in use. ENERGY: 2887000 738.4843 2045.5274 1966.0346 107.4619 -206623.1498 18111.3661 0.0000 0.0000 34115.5286 -149538.7468 297.9394 -183654.2754 -149440.9805 298.8277 107.0142 141.0436 556652.1718 4.2541 4.2493 PRESSURE: 2887200 104.488 18.6541 87.0201 18.6543 110.005 -23.8608 87.0199 -23.8631 21.8004 GPRESSURE: 2887200 111.64 -4.33298 147.956 71.0164 89.0229 -6.66418 71.3323 4.01996 124.654 PRESSAVG: 2887200 -28.5554 11.4775 37.4732 11.4774 36.6926 17.7778 37.4731 17.7778 -39.6516 GPRESSAVG: 2887200 -29.6192 12.9594 36.6633 9.49991 37.0502 19.9209 38.9859 13.3451 -39.3872 TIMING: 2887200 CPU: 8367.07, 0.00287442/step Wall: 8367.07, 0.00287442/step, 1.68697 hours remaining, 209.113281 MB of memory in use. ENERGY: 2887200 746.9202 2087.1186 1949.9123 110.1326 -206408.4512 17938.3352 0.0000 0.0000 34059.1739 -149516.8584 297.4472 -183576.0323 -149420.2988 298.4823 78.7646 108.4388 556250.2222 -10.5048 -10.6521 PRESSURE: 2887400 200.894 -44.4586 -103.537 -44.4596 -69.1512 11.1379 -103.537 11.1385 -46.9807 GPRESSURE: 2887400 237.25 -118.141 -100.343 60.7852 6.96673 55.187 -131.67 -48.6596 -52.9743 PRESSAVG: 2887400 84.2465 22.9077 21.4812 22.9077 -10.2341 39.921 21.4812 39.921 -47.3887 GPRESSAVG: 2887400 84.3984 22.1942 19.8848 24.6322 -9.64297 37.9478 20.7245 41.6834 -47.9834 TIMING: 2887400 CPU: 8367.65, 0.002868/step Wall: 8367.65, 0.002868/step, 1.68304 hours remaining, 209.113281 MB of memory in use. ENERGY: 2887400 751.6400 2062.5575 1949.6915 119.5307 -206204.5003 17902.6036 0.0000 0.0000 33939.5235 -149478.9535 296.4023 -183418.4770 -149378.1358 298.6673 28.2538 63.7473 556905.5123 8.8746 8.9240 PRESSURE: 2887600 -187.038 -75.0294 -43.9579 -75.0304 -133.89 48.1148 -43.9573 48.1158 -103.273 GPRESSURE: 2887600 -148.159 -0.396114 -43.5067 -139.692 -83.5567 -92.3434 -50.1486 116.792 -106.291 PRESSAVG: 2887600 58.9064 34.4725 10.5958 34.4724 -20.219 25.037 10.5959 25.037 -73.5017 GPRESSAVG: 2887600 58.9331 34.374 12.7371 32.7011 -20.3851 24.5941 9.36922 26.1559 -73.9097 TIMING: 2887600 CPU: 8368.22, 0.00288404/step Wall: 8368.22, 0.00288404/step, 1.69229 hours remaining, 209.113281 MB of memory in use. ENERGY: 2887600 739.1215 2088.0467 1938.6978 106.1510 -205987.2857 17602.9168 0.0000 0.0000 34256.4166 -149255.9352 299.1698 -183512.3519 -149152.5129 298.9466 -141.4000 -112.6690 559275.3266 -11.6048 -11.7873 PRESSURE: 2887800 -401.497 8.66509 -238.996 8.66491 -239.89 17.3245 -238.996 17.3247 -512.091 GPRESSURE: 2887800 -249.203 89.6163 -181.658 -58.2132 -264.321 23.5891 -235.321 -65.8558 -550.997 PRESSAVG: 2887800 52.7645 0.122493 7.41337 0.122493 -30.2155 8.24685 7.41335 8.24681 -9.24408 GPRESSAVG: 2887800 53.2912 0.170394 8.20518 1.5289 -30.84 8.05854 7.24464 7.36869 -9.25103 TIMING: 2887800 CPU: 8368.8, 0.00290038/step Wall: 8368.8, 0.00290038/step, 1.70172 hours remaining, 209.113281 MB of memory in use. ENERGY: 2887800 751.3401 2077.1847 1971.6099 111.1549 -205641.5535 17326.6447 0.0000 0.0000 34255.6667 -149147.9525 299.1633 -183403.6192 -149049.3275 299.8829 -384.4928 -354.8406 558053.9904 4.4350 4.4001 PRESSURE: 2888000 5.48502 8.51702 -84.8057 8.51767 264.789 -26.3844 -84.804 -26.3849 -13.3017 GPRESSURE: 2888000 24.8435 -66.1711 -117.563 26.0808 290.18 -67.6416 -20.6351 -49.9088 34.9488 PRESSAVG: 2888000 -6.08703 0.865547 2.51926 0.865586 77.1258 4.51941 2.51925 4.51952 -57.6171 GPRESSAVG: 2888000 -7.3306 -0.205449 0.975885 1.91299 78.2422 4.86952 4.22809 4.59511 -57.2416 TIMING: 2888000 CPU: 8369.39, 0.00294189/step Wall: 8369.39, 0.00294189/step, 1.72591 hours remaining, 209.113281 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: 2888000 748.3118 2050.6329 1952.9891 115.8053 -206396.1104 17919.6443 0.0000 0.0000 34351.7949 -149256.9321 300.0028 -183608.7270 -149152.2289 299.8397 85.6576 116.6576 556713.4370 4.4739 4.5567 PRESSURE: 2888200 -265.261 245.344 -12.1061 245.344 -209.19 127.936 -12.1055 127.936 277.389 GPRESSURE: 2888200 -198.406 261.876 -29.2242 245.357 -197.129 163.167 58.426 181.837 288.65 PRESSAVG: 2888200 -23.5861 -7.4302 34.4148 -7.43033 29.2914 2.87467 34.4148 2.87456 62.6072 GPRESSAVG: 2888200 -23.1056 -5.52517 35.89 -8.95133 27.8127 4.09703 33.6894 3.28987 63.7931 TIMING: 2888200 CPU: 8369.98, 0.00294922/step Wall: 8369.98, 0.00294922/step, 1.73004 hours remaining, 209.113281 MB of memory in use. ENERGY: 2888200 757.0640 2067.7408 1945.1212 105.5753 -206191.3319 17797.7690 0.0000 0.0000 34223.8790 -149294.1825 298.8856 -183518.0615 -149192.0757 299.5956 -65.6874 -35.6283 557395.7521 22.7708 22.8334 LDB: ============= START OF LOAD BALANCING ============== 8373.37 LDB: ============== END OF LOAD BALANCING =============== 8373.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8373.37 LDB: ============= START OF LOAD BALANCING ============== 8373.66 LDB: Largest compute 4820 load 0.024518 is 20.8% of average load 0.117809 LDB: Average compute 0.001746 is 1.5% of average load 0.117809 LDB: TIME 8373.67 LOAD: AVG 0.117809 MAX 0.178168 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.52 MB LDB: TIME 8373.67 LOAD: AVG 0.117809 MAX 0.178168 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.727 MB LDB: TIME 8373.67 LOAD: AVG 0.117809 MAX 0.178168 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.727 MB LDB: ============== END OF LOAD BALANCING =============== 8373.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8373.67 PRESSURE: 2888400 -145.892 156.475 -116.949 156.475 -232.462 97.3083 -116.948 97.3093 -37.4189 GPRESSURE: 2888400 -76.7068 185.433 -116.622 167.5 -265.757 87.9856 -87.6331 23.8212 11.4727 PRESSAVG: 2888400 -78.0638 42.1167 16.8022 42.1167 65.3243 42.2983 16.8021 42.2984 39.3189 GPRESSAVG: 2888400 -77.586 40.6276 14.8997 41.0784 65.3307 40.9687 17.7799 41.0257 38.5986 TIMING: 2888400 CPU: 8370.58, 0.00297581/step Wall: 8370.58, 0.00297581/step, 1.74548 hours remaining, 209.257812 MB of memory in use. ENERGY: 2888400 749.3633 2106.4720 1949.7458 111.2482 -205998.6998 17581.4107 0.0000 0.0000 34360.7463 -149139.7135 300.0809 -183500.4598 -149041.0638 299.3688 -138.5909 -110.3303 557515.3091 8.8598 8.7811 PRESSURE: 2888600 -36.1287 59.0792 -29.1196 59.0787 121.805 115.937 -29.1203 115.936 -88.0991 GPRESSURE: 2888600 28.1395 156.5 -39.4281 32.2728 162.252 78.2593 -64.8334 146.012 -98.3437 PRESSAVG: 2888600 -67.9876 31.9828 -36.5551 31.983 12.1933 -3.71137 -36.5551 -3.71137 58.431 GPRESSAVG: 2888600 -67.0282 30.6974 -35.3517 34.8695 12.2843 -3.26915 -35.7668 -1.17816 57.5639 TIMING: 2888600 CPU: 8371.16, 0.00292682/step Wall: 8371.16, 0.00292682/step, 1.71658 hours remaining, 209.660156 MB of memory in use. ENERGY: 2888600 756.2238 2096.3660 1960.7226 120.7111 -206108.6752 17830.2247 0.0000 0.0000 34259.5606 -149084.8665 299.1973 -183344.4271 -148990.6945 299.5380 -0.8077 30.6826 557082.9311 0.8789 0.9400 PRESSURE: 2888800 259.969 -12.7147 -121.072 -12.7141 -340.108 129.123 -121.072 129.124 61.5501 GPRESSURE: 2888800 259.266 -29.2261 -72.8875 -60.6133 -274.197 92.7365 -108.736 125.909 91.6878 PRESSAVG: 2888800 -22.5532 15.473 32.9708 15.473 -43.1924 2.30213 32.9708 2.30216 58.0529 GPRESSAVG: 2888800 -23.2995 17.1779 33.0504 14.4699 -43.2318 2.98539 30.9638 0.809681 59.1361 TIMING: 2888800 CPU: 8371.74, 0.00289711/step Wall: 8371.74, 0.00289711/step, 1.699 hours remaining, 209.660156 MB of memory in use. ENERGY: 2888800 755.3861 2081.5464 1956.2826 108.6224 -205955.6983 17766.5687 0.0000 0.0000 34234.6532 -149052.6390 298.9797 -183287.2922 -148966.8396 300.3008 -6.1963 25.5856 558091.1072 -2.5642 -2.4650 PRESSURE: 2889000 -1.50028 -133.622 -22.5929 -133.622 -44.709 -1.37461 -22.5925 -1.37523 -193.996 GPRESSURE: 2889000 14.3176 -135.797 -35.7911 -139.141 -29.8958 64.7808 -1.8241 -74.5029 -132.059 PRESSAVG: 2889000 31.54 -45.6231 12.6551 -45.6231 -50.5205 -66.7109 12.655 -66.7109 15.0884 GPRESSAVG: 2889000 31.413 -43.7277 11.0984 -47.2555 -50.4285 -67.1631 13.8332 -69.6312 15.0557 TIMING: 2889000 CPU: 8372.32, 0.00291198/step Wall: 8372.32, 0.00291198/step, 1.70755 hours remaining, 209.660156 MB of memory in use. ENERGY: 2889000 750.3764 2074.0077 1979.4152 103.3256 -205996.4236 17862.3798 0.0000 0.0000 34166.1353 -149060.7837 298.3814 -183226.9190 -148960.7743 299.4124 -80.0685 -49.2123 559832.9791 -1.2974 -1.3199 PRESSURE: 2889200 -21.5438 -75.7854 93.1238 -75.7864 -52.8943 -48.0065 93.1239 -48.0057 57.073 GPRESSURE: 2889200 -60.896 -13.6343 27.4286 -80.2142 -38.995 57.0972 109.78 -27.7236 176.448 PRESSAVG: 2889200 33.6228 -10.1843 -15.2176 -10.1843 -10.0352 -38.0755 -15.2175 -38.0756 10.171 GPRESSAVG: 2889200 34.2249 -13.4 -15.4804 -9.13958 -9.30426 -36.853 -15.1336 -34.5927 9.1972 TIMING: 2889200 CPU: 8372.9, 0.00289376/step Wall: 8372.9, 0.00289376/step, 1.69671 hours remaining, 209.660156 MB of memory in use. ENERGY: 2889200 756.8154 2078.5154 1954.7084 124.6074 -206095.7448 17850.5180 0.0000 0.0000 34243.9780 -149086.6022 299.0612 -183330.5801 -148992.7587 299.8225 -5.7884 25.5189 556643.8014 11.2529 11.3726 PRESSURE: 2889400 -21.9193 -20.7525 -22.1923 -20.7531 31.1918 -165.418 -22.1926 -165.417 -253.234 GPRESSURE: 2889400 -21.7169 19.9118 -6.94969 -58.3579 95.7671 -69.6894 -0.44058 -214.206 -218.474 PRESSAVG: 2889400 13.6109 53.3794 72.4775 53.3794 -1.62262 -31.0416 72.4775 -31.0416 -20.3421 GPRESSAVG: 2889400 12.5842 54.1785 73.4021 54.4625 -2.02523 -32.0443 72.2951 -33.4175 -19.0402 TIMING: 2889400 CPU: 8373.49, 0.00291179/step Wall: 8373.49, 0.00291179/step, 1.70712 hours remaining, 209.660156 MB of memory in use. ENERGY: 2889400 754.8522 2095.2248 1931.2247 112.7355 -205944.1951 17614.9080 0.0000 0.0000 34424.2073 -149011.0425 300.6352 -183435.2498 -148918.4222 299.3873 -81.3205 -48.1413 555914.9318 -2.7846 -2.8271 PRESSURE: 2889600 -116.564 10.8913 -118.05 10.8901 21.7398 -115.685 -118.051 -115.684 183.185 GPRESSURE: 2889600 -9.16151 71.7983 -125.011 -71.7862 6.24934 -93.2491 -12.4271 -153.189 187.453 PRESSAVG: 2889600 26.137 -21.4905 -20.2196 -21.4905 -19.018 -5.7464 -20.2196 -5.7464 23.1941 GPRESSAVG: 2889600 27.0733 -23.3542 -21.0879 -21.5874 -19.1699 -6.11444 -19.5002 -2.74145 22.0737 TIMING: 2889600 CPU: 8374.07, 0.00290539/step Wall: 8374.07, 0.00290539/step, 1.70321 hours remaining, 209.660156 MB of memory in use. ENERGY: 2889600 736.9409 2063.7326 1981.5761 118.6868 -205894.4074 17766.8265 0.0000 0.0000 34283.6007 -148943.0437 299.4072 -183226.6444 -148846.6386 300.2024 29.4534 61.5136 556777.3077 10.1044 9.9923 PRESSURE: 2889800 -203.812 -81.6443 -80.8213 -81.6449 111.158 115.398 -80.8226 115.398 -254.441 GPRESSURE: 2889800 -160.664 -125.16 -150.454 -72.0357 157.324 55.7578 -67.4799 138.411 -248.17 PRESSAVG: 2889800 -69.2111 -84.8547 -6.74472 -84.8547 50.8979 -18.0733 -6.7448 -18.0734 46.7305 GPRESSAVG: 2889800 -70.0687 -81.3386 -7.4117 -86.891 51.3347 -18.9058 -6.9148 -19.1393 47.4426 TIMING: 2889800 CPU: 8374.65, 0.00290765/step Wall: 8374.65, 0.00290765/step, 1.70437 hours remaining, 209.660156 MB of memory in use. ENERGY: 2889800 734.6093 2025.1975 1991.2277 101.3796 -205823.8303 17718.0520 0.0000 0.0000 34455.1682 -148798.1960 300.9056 -183253.3642 -148697.5549 300.5336 -115.6984 -83.8367 558500.2571 9.4724 9.5695 PRESSURE: 2890000 30.9808 79.4719 132.94 79.4708 116.64 -142.949 132.94 -142.949 24.6662 GPRESSURE: 2890000 35.5713 98.906 142.408 5.43026 185.243 -108.601 121.458 -169.822 37.4573 PRESSAVG: 2890000 10.5657 1.35697 -35.5919 1.35694 -33.6404 -32.6695 -35.592 -32.6694 24.7868 GPRESSAVG: 2890000 10.6687 -1.13921 -33.0651 2.99768 -33.3547 -32.1525 -35.5305 -34.3912 24.3963 TIMING: 2890000 CPU: 8375.23, 0.00289258/step Wall: 8375.23, 0.00289258/step, 1.69538 hours remaining, 209.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2890000 759.4219 2064.3937 1960.2291 111.1999 -205986.5198 17952.0613 0.0000 0.0000 34154.8392 -148984.3748 298.2827 -183139.2140 -148877.3727 300.3273 57.4292 86.0906 558448.8963 0.5707 0.5701 PRESSURE: 2890200 -26.9527 -12.3611 158.964 -12.3608 -79.6181 -212.174 158.964 -212.174 -152.532 GPRESSURE: 2890200 15.678 -74.4805 167.032 24.5721 -131.256 -167.348 139.027 -160.731 -64.6254 PRESSAVG: 2890200 67.8859 20.6595 28.1657 20.6595 25.0719 -82.0166 28.1657 -82.0167 -74.6987 GPRESSAVG: 2890200 68.3867 20.0924 25.0937 21.3454 24.3085 -83.6692 27.9787 -78.6492 -74.2205 TIMING: 2890200 CPU: 8375.81, 0.00289729/step Wall: 8375.81, 0.00289729/step, 1.69797 hours remaining, 209.660156 MB of memory in use. ENERGY: 2890200 795.2726 2051.5806 1978.8227 119.2568 -206015.7894 17628.4631 0.0000 0.0000 34402.5619 -149039.8316 300.4461 -183442.3935 -148947.2056 299.1455 -86.3675 -60.0677 556927.5051 6.0864 6.1583 PRESSURE: 2890400 38.1393 -255.012 -28.4537 -255.012 -23.7971 122.129 -28.453 122.129 -195.33 GPRESSURE: 2890400 57.6756 -292.637 -49.6709 -177.786 -0.149302 70.0076 75.199 67.7442 -146.766 PRESSAVG: 2890400 25.8079 -31.4143 35.0771 -31.4142 1.37572 -50.1128 35.0771 -50.1127 -15.9115 GPRESSAVG: 2890400 25.3292 -28.5515 36.9831 -32.8262 1.77296 -47.8669 34.8717 -53.4309 -16.0961 TIMING: 2890400 CPU: 8376.39, 0.00289941/step Wall: 8376.39, 0.00289941/step, 1.69906 hours remaining, 209.660156 MB of memory in use. ENERGY: 2890400 785.4606 2071.9078 1967.9150 100.2846 -205378.3247 17594.7726 0.0000 0.0000 33854.7139 -149003.2702 295.6616 -182857.9842 -148905.6701 299.3412 -60.3294 -29.7465 558052.6899 3.7574 3.6687 PRESSURE: 2890600 -148.176 19.6702 9.34083 19.6708 -261.674 -97.5852 9.3417 -97.5848 -52.4726 GPRESSURE: 2890600 -72.4913 10.7597 12.924 21.0315 -253.041 -62.137 -88.1089 -135.748 -29.832 PRESSAVG: 2890600 75.9965 13.3829 5.94115 13.3828 -78.2285 -30.428 5.94108 -30.4278 -0.180223 GPRESSAVG: 2890600 76.3887 11.6079 4.17511 12.0049 -78.2414 -32.9702 5.0387 -27.7212 -0.579025 TIMING: 2890600 CPU: 8376.97, 0.00292176/step Wall: 8376.97, 0.00292176/step, 1.71199 hours remaining, 209.660156 MB of memory in use. ENERGY: 2890600 720.4040 2010.2975 1946.6844 115.5001 -205291.7775 17341.7507 0.0000 0.0000 34167.4393 -148989.7016 298.3927 -183157.1409 -148895.0144 299.2700 -154.1077 -118.4548 558136.7552 -0.8041 -0.8106 PRESSURE: 2890800 101.2 -43.5835 56.4469 -43.5836 -123.961 23.1053 56.4474 23.1039 -220.478 GPRESSURE: 2890800 118.197 31.2165 -45.4592 -104.851 -109.055 40.6292 110.377 -87.3067 -156.579 PRESSAVG: 2890800 127.327 12.1758 15.0739 12.1758 -53.9115 -51.3594 15.0741 -51.3593 -27.5138 GPRESSAVG: 2890800 126.388 13.5029 17.7444 13.6505 -53.5898 -48.3349 15.8428 -51.3054 -26.9439 TIMING: 2890800 CPU: 8377.55, 0.00290401/step Wall: 8377.55, 0.00290401/step, 1.70143 hours remaining, 209.660156 MB of memory in use. ENERGY: 2890800 725.1278 2078.4605 1961.3965 98.1902 -206101.7361 17707.5862 0.0000 0.0000 34430.6735 -149100.3014 300.6916 -183530.9749 -149000.2790 299.4909 -81.0796 -49.1456 557352.6587 15.3006 15.2847 PRESSURE: 2891000 -144.675 126.174 43.0402 126.174 -259.538 216.667 43.0397 216.668 105.524 GPRESSURE: 2891000 -110.906 181.899 30.037 73.4585 -259.677 176.369 85.9054 204.621 167.73 PRESSAVG: 2891000 26.598 -0.674702 7.56727 -0.674719 -39.9969 -49.6477 7.56731 -49.6476 -56.1889 GPRESSAVG: 2891000 26.6176 -1.18076 6.04918 -1.59274 -39.8818 -51.8934 7.62049 -52.1038 -56.7129 TIMING: 2891000 CPU: 8378.13, 0.00290344/step Wall: 8378.13, 0.00290344/step, 1.70093 hours remaining, 209.660156 MB of memory in use. ENERGY: 2891000 749.3382 2100.8601 1944.1157 116.8591 -206399.2039 17880.6382 0.0000 0.0000 34417.6364 -149189.7561 300.5778 -183607.3926 -149094.3357 299.6622 -99.5629 -67.6179 557599.1146 -23.1959 -23.3257 PRESSURE: 2891200 -192.051 97.8686 26.7795 97.8685 -376.846 -79.5234 26.7791 -79.5245 -313.924 GPRESSURE: 2891200 -163.756 67.8754 9.84956 110.253 -339.925 -31.4769 12.4673 -91.065 -287.331 PRESSAVG: 2891200 -7.25394 92.782 -30.6464 92.782 19.1585 -13.951 -30.6464 -13.951 7.64289 GPRESSAVG: 2891200 -6.97552 91.693 -30.624 94.5581 18.7093 -11.3135 -30.3826 -12.1731 8.4206 TIMING: 2891200 CPU: 8378.71, 0.00291333/step Wall: 8378.71, 0.00291333/step, 1.70657 hours remaining, 209.660156 MB of memory in use. ENERGY: 2891200 731.8381 2014.8681 1987.6135 112.6859 -205889.7981 17513.4311 0.0000 0.0000 34337.1460 -149192.2155 299.8748 -183529.3614 -149088.3107 299.6406 -294.2737 -263.6707 559139.9593 6.5158 6.7181 PRESSURE: 2891400 -151.461 -96.0186 -106.018 -96.0202 -108.142 -91.5357 -106.018 -91.5344 -38.7137 GPRESSURE: 2891400 -60.8102 -45.0917 -128.612 -117.647 -59.9399 -118.612 -39.0007 -54.6355 -69.0908 PRESSAVG: 2891400 28.1224 -37.3086 -11.1168 -37.3086 -50.8409 -46.2728 -11.1168 -46.2728 2.14488 GPRESSAVG: 2891400 28.7315 -37.7311 -9.17559 -38.3058 -50.223 -47.2531 -11.6721 -47.9736 0.691961 TIMING: 2891400 CPU: 8379.29, 0.00289866/step Wall: 8379.29, 0.00289866/step, 1.69781 hours remaining, 209.660156 MB of memory in use. ENERGY: 2891400 753.2268 2065.0361 1968.3387 123.6076 -206135.4981 17726.1891 0.0000 0.0000 34283.5956 -149215.5043 299.4072 -183499.0998 -149123.3250 299.8713 -99.4389 -63.2803 557848.3937 -6.8579 -6.9332 PRESSURE: 2891600 -342.111 110.627 -10.9966 110.628 206.037 26.4787 -10.996 26.4784 -85.025 GPRESSURE: 2891600 -244.036 103.776 82.1907 139.115 227.936 -48.1052 69.1599 35.9385 -109.411 PRESSAVG: 2891600 -64.2984 15.6704 5.73855 15.6703 49.7079 -22.3612 5.73857 -22.3611 7.64875 GPRESSAVG: 2891600 -64.5853 14.0547 3.69179 15.3809 50.1109 -22.5217 6.86068 -20.4283 7.85974 TIMING: 2891600 CPU: 8379.87, 0.00288851/step Wall: 8379.87, 0.00288851/step, 1.6917 hours remaining, 209.660156 MB of memory in use. ENERGY: 2891600 742.9678 2082.9446 1941.9685 99.1239 -205901.8534 17762.0683 0.0000 0.0000 34067.9866 -149204.7937 297.5242 -183272.7803 -149105.6351 299.5414 -73.7000 -41.8367 558115.8168 -2.3139 -2.2049 PRESSURE: 2891800 -224.92 -174.954 89.6158 -174.953 -286.487 15.0649 89.6159 15.0639 96.9358 GPRESSURE: 2891800 -122.158 -162.882 98.1246 -156.14 -223.111 -24.696 141.816 -10.9134 26.808 PRESSAVG: 2891800 -36.5163 10.611 -45.2317 10.611 37.6886 -24.1594 -45.2317 -24.1595 -9.47586 GPRESSAVG: 2891800 -36.8988 12.4114 -45.6353 9.73808 37.2385 -24.8698 -43.0663 -24.888 -8.30022 TIMING: 2891800 CPU: 8380.45, 0.00288756/step Wall: 8380.45, 0.00288756/step, 1.69099 hours remaining, 209.660156 MB of memory in use. ENERGY: 2891800 724.8386 2138.8369 1958.4971 107.1686 -206329.6105 17756.6211 0.0000 0.0000 34230.7569 -149412.8912 298.9457 -183643.6481 -149312.4831 298.9880 -138.1569 -106.1539 557766.3785 -2.7679 -2.6535 PRESSURE: 2892000 -3.44862 -260.685 9.1591 -260.686 39.8445 -103.872 9.15897 -103.873 53.518 GPRESSURE: 2892000 -5.73078 -230.77 -39.3068 -216.712 130.816 -56.1406 49.0824 -30.9343 56.2313 PRESSAVG: 2892000 33.4375 -38.0409 8.00467 -38.041 -6.32148 -24.9287 8.00472 -24.9286 -22.7484 GPRESSAVG: 2892000 33.0951 -38.0537 10.2995 -38.5354 -4.69862 -24.6712 5.26167 -25.707 -23.7505 TIMING: 2892000 CPU: 8381.03, 0.00288341/step Wall: 8381.03, 0.00288341/step, 1.6884 hours remaining, 209.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2892000 729.1599 2035.6601 1953.3440 108.7033 -206492.9746 17885.2475 0.0000 0.0000 34376.8834 -149403.9764 300.2219 -183780.8598 -149305.9938 299.0518 29.9713 60.4389 556496.3109 1.4559 1.5486 PRESSURE: 2892200 61.3732 -32.1018 -173.488 -32.1026 -16.7268 108.416 -173.487 108.418 197.614 GPRESSURE: 2892200 78.1118 -52.3259 -215.77 -15.2158 42.4588 212.523 -204.865 69.899 208.447 PRESSAVG: 2892200 25.2506 -47.124 -26.983 -47.124 -3.64696 23.2516 -26.983 23.2515 -26.1065 GPRESSAVG: 2892200 24.755 -47.061 -27.2939 -46.5238 -5.51568 23.1198 -27.4003 23.7377 -24.5986 TIMING: 2892200 CPU: 8381.61, 0.00289557/step Wall: 8381.61, 0.00289557/step, 1.69535 hours remaining, 209.660156 MB of memory in use. ENERGY: 2892200 682.9693 2115.8382 1954.5242 114.9192 -206318.9830 17794.1076 0.0000 0.0000 34315.9669 -149340.6576 299.6899 -183656.6246 -149239.7920 298.7866 80.7534 109.6726 556790.6938 -1.5009 -1.7864 LDB: ============= START OF LOAD BALANCING ============== 8384.99 LDB: ============== END OF LOAD BALANCING =============== 8384.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8384.99 LDB: ============= START OF LOAD BALANCING ============== 8385.28 LDB: Largest compute 4800 load 0.026143 is 22.2% of average load 0.117830 LDB: Average compute 0.001764 is 1.5% of average load 0.117830 LDB: TIME 8385.29 LOAD: AVG 0.11783 MAX 0.179932 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.004 MB LDB: TIME 8385.29 LOAD: AVG 0.11783 MAX 0.179932 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 8385.29 LOAD: AVG 0.11783 MAX 0.179932 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8385.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8385.29 PRESSURE: 2892400 99.8191 161.992 -72.2952 161.993 -110.29 234.474 -72.2959 234.474 -141.251 GPRESSURE: 2892400 96.302 62.5567 -142.972 215.569 -48.8719 176.957 -66.6788 173.525 -98.8651 PRESSAVG: 2892400 21.3666 -44.6565 -15.193 -44.6565 18.1412 41.3207 -15.1931 41.3206 -15.8678 GPRESSAVG: 2892400 21.7671 -44.9775 -17.126 -44.2904 19.3549 43.0144 -13.4943 42.3295 -17.9887 TIMING: 2892400 CPU: 8382.2, 0.00295505/step Wall: 8382.2, 0.00295505/step, 1.73002 hours remaining, 208.679688 MB of memory in use. ENERGY: 2892400 733.4806 2101.6733 1955.1945 117.2310 -206453.6064 17908.8839 0.0000 0.0000 34263.9894 -149373.1538 299.2359 -183637.1431 -149280.8509 299.4818 -50.5742 -17.1450 559732.5617 7.8800 7.7111 PRESSURE: 2892600 128.166 80.9089 20.9547 80.909 -29.2467 9.62263 20.9529 9.62254 329.637 GPRESSURE: 2892600 199.344 97.1836 -3.56467 80.8712 -26.7074 23.7364 -53.6331 -43.4376 343.666 PRESSAVG: 2892600 45.8216 -55.545 -42.3699 -55.5449 -47.6487 37.8253 -42.37 37.8253 13.035 GPRESSAVG: 2892600 44.8495 -55.4693 -39.9419 -55.7915 -46.7867 36.6782 -44.3011 37.9484 13.0959 TIMING: 2892600 CPU: 8382.78, 0.00290205/step Wall: 8382.78, 0.00290205/step, 1.69883 hours remaining, 208.679688 MB of memory in use. ENERGY: 2892600 734.6890 2152.0607 1959.5604 106.5333 -206635.0678 18172.2919 0.0000 0.0000 34281.6660 -149228.2665 299.3903 -183509.9325 -149135.9440 299.1934 142.8521 172.1010 557199.1092 3.7359 3.7195 PRESSURE: 2892800 -141.562 -43.7452 -74.0433 -43.7442 -154.213 -19.8194 -74.0445 -19.8189 -145.729 GPRESSURE: 2892800 -79.0538 12.9759 -141.176 -87.1641 -144.701 -28.2473 -42.0981 -23.9223 -120.432 PRESSAVG: 2892800 38.3213 -15.6929 -30.8117 -15.693 -19.2758 31.682 -30.8117 31.6819 -29.0134 GPRESSAVG: 2892800 39.93 -17.2718 -31.762 -15.616 -20.7587 31.9142 -30.5419 31.0807 -29.2558 TIMING: 2892800 CPU: 8383.36, 0.00292049/step Wall: 8383.36, 0.00292049/step, 1.70946 hours remaining, 208.679688 MB of memory in use. ENERGY: 2892800 722.6164 2032.9704 1955.7032 112.1904 -205835.2281 17568.2460 0.0000 0.0000 34293.6436 -149149.8580 299.4949 -183443.5017 -149049.4988 299.4521 -147.1678 -114.7287 558104.9706 -3.3226 -3.3615 PRESSURE: 2893000 -268.337 -95.4171 145.893 -95.4174 131.209 43.9053 145.893 43.9047 -16.323 GPRESSURE: 2893000 -200.274 -161.192 154.368 -85.0026 168.386 41.1258 77.4494 49.2982 -21.3969 PRESSAVG: 2893000 -3.12962 -26.9566 1.0756 -26.9566 3.93461 -13.7281 1.0756 -13.7281 -13.1222 GPRESSAVG: 2893000 -3.69891 -25.1792 2.36245 -28.653 4.41529 -13.3464 0.560772 -12.6826 -12.7645 TIMING: 2893000 CPU: 8383.94, 0.00287969/step Wall: 8383.94, 0.00287969/step, 1.68542 hours remaining, 208.679688 MB of memory in use. ENERGY: 2893000 739.7035 2100.5813 1934.6145 123.6101 -206115.8614 17721.5585 0.0000 0.0000 34385.2287 -149110.5649 300.2948 -183495.7936 -149009.6245 299.4160 -51.1505 -17.7616 558064.9826 -4.1057 -4.0160 PRESSURE: 2893200 -58.6765 -208.906 -40.9381 -208.906 -255.907 25.3715 -40.9376 25.3734 127.181 GPRESSURE: 2893200 -31.7502 -149.596 -19.5373 -79.8184 -203.206 -2.33676 -88.3061 39.6618 141.824 PRESSAVG: 2893200 -9.0878 -53.0759 -16.0715 -53.076 11.8645 14.7132 -16.0715 14.7131 18.0768 GPRESSAVG: 2893200 -9.10154 -52.7719 -16.6861 -51.5422 11.6242 16.663 -14.4486 13.9134 18.0027 TIMING: 2893200 CPU: 8384.52, 0.00289912/step Wall: 8384.52, 0.00289912/step, 1.69663 hours remaining, 208.679688 MB of memory in use. ENERGY: 2893200 759.6057 2111.8425 1970.9623 116.4668 -206104.0210 17681.0990 0.0000 0.0000 34408.3892 -149055.6555 300.4970 -183464.0447 -148962.5291 300.0450 -62.4674 -31.0438 557524.0717 6.9512 6.8418 PRESSURE: 2893400 -42.2431 -2.5201 -33.148 -2.51821 213.327 91.5693 -33.1487 91.5688 182.683 GPRESSURE: 2893400 -4.16062 -65.3836 9.0374 -51.2814 290.611 147.046 -103.641 64.3001 161.412 PRESSAVG: 2893400 18.2701 -28.4258 -65.1718 -28.4257 -2.16252 19.3204 -65.1717 19.3204 -33.5763 GPRESSAVG: 2893400 18.0293 -28.424 -65.1793 -27.9553 -1.8833 17.5738 -64.9316 18.3399 -33.3154 TIMING: 2893400 CPU: 8385.1, 0.00291616/step Wall: 8385.1, 0.00291616/step, 1.70644 hours remaining, 208.679688 MB of memory in use. ENERGY: 2893400 746.0935 2058.8739 1987.1747 117.2380 -206337.3858 18060.2454 0.0000 0.0000 34335.0177 -149032.7425 299.8562 -183367.7602 -148932.4098 300.0538 117.9223 149.2874 558865.0518 -5.8229 -5.7231 PRESSURE: 2893600 36.7689 17.9888 -6.73301 17.9888 23.2696 193.807 -6.7337 193.804 105.23 GPRESSURE: 2893600 42.7916 6.97202 -21.7795 -12.6806 76.9703 133.645 33.4481 249.46 144.654 PRESSAVG: 2893600 -5.51704 -32.7677 -0.110446 -32.7676 -15.0023 51.3206 -0.110484 51.3205 -4.03944 GPRESSAVG: 2893600 -4.27421 -31.7118 -2.84466 -33.3802 -14.8243 51.907 0.0585544 53.8456 -4.79034 TIMING: 2893600 CPU: 8385.68, 0.00288512/step Wall: 8385.68, 0.00288512/step, 1.68812 hours remaining, 208.679688 MB of memory in use. ENERGY: 2893600 699.3063 2097.6102 1979.6066 116.7279 -206109.5338 17859.5514 0.0000 0.0000 34354.3619 -149002.3695 300.0252 -183356.7314 -148902.7839 299.8647 55.0896 88.1385 558543.0141 -8.1863 -7.9629 PRESSURE: 2893800 -270.552 79.8397 -120.321 79.8395 -126.152 117.482 -120.32 117.481 -244.184 GPRESSURE: 2893800 -203.282 54.8739 -133.916 106.133 -166.412 75.8031 -126.341 148.783 -177.504 PRESSAVG: 2893800 -17.9288 -0.289529 21.2304 -0.289561 -15.0782 -9.76536 21.2305 -9.76524 25.8866 GPRESSAVG: 2893800 -19.1437 0.628999 24.7764 -2.8025 -15.02 -12.2755 20.2212 -10.9228 26.9137 TIMING: 2893800 CPU: 8386.25, 0.00288452/step Wall: 8386.25, 0.00288452/step, 1.6876 hours remaining, 208.679688 MB of memory in use. ENERGY: 2893800 744.9444 2092.0114 1971.8881 126.7114 -205669.6367 17377.5661 0.0000 0.0000 34197.8836 -149158.6317 298.6586 -183356.5153 -149059.5626 300.1879 -213.6295 -182.3994 558999.5952 -2.3735 -2.4167 PRESSURE: 2894000 -239.011 -124.108 131.269 -124.108 -255.118 -139.145 131.27 -139.144 -294.322 GPRESSURE: 2894000 -193.263 -92.6351 96.7296 -151.606 -192.91 -121.458 88.8892 -120.799 -292.425 PRESSAVG: 2894000 41.5059 -21.3455 -16.9202 -21.3455 -21.2152 24.5585 -16.9202 24.5585 27.2462 GPRESSAVG: 2894000 41.7727 -23.3361 -18.7042 -20.3407 -20.6978 26.4457 -16.1244 23.6111 26.3968 TIMING: 2894000 CPU: 8386.83, 0.00289575/step Wall: 8386.83, 0.00289575/step, 1.69401 hours remaining, 208.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2894000 792.3087 2034.1802 1957.4238 114.8789 -205545.1605 17304.0793 0.0000 0.0000 34363.7727 -148978.5170 300.1074 -183342.2897 -148876.0476 299.3619 -262.8169 -226.1992 557411.9743 15.8456 15.8239 PRESSURE: 2894200 -376.379 92.1014 -102.524 92.1018 -215.833 2.25158 -102.524 2.25036 -159.129 GPRESSURE: 2894200 -290.105 82.6244 -146.069 149.694 -219.407 27.447 -93.8102 85.7533 -139.972 PRESSAVG: 2894200 -42.3648 -16.1685 -33.6948 -16.1685 -32.2478 -0.51594 -33.6947 -0.515967 62.2484 GPRESSAVG: 2894200 -42.2125 -17.4373 -32.4354 -13.5705 -31.4132 -1.24274 -32.2564 2.51178 61.5797 TIMING: 2894200 CPU: 8387.41, 0.00289587/step Wall: 8387.41, 0.00289587/step, 1.69392 hours remaining, 208.679688 MB of memory in use. ENERGY: 2894200 764.1689 2087.2577 1940.6688 103.7314 -205699.4062 17450.8412 0.0000 0.0000 34307.6604 -149045.0777 299.6173 -183352.7381 -148952.4829 299.5696 -250.4471 -216.4944 557598.0148 -4.1214 -4.0153 PRESSURE: 2894400 -79.0473 -1.30416 137.312 -1.30391 -125.505 -34.3295 137.311 -34.3295 -61.0285 GPRESSURE: 2894400 -76.7332 14.4054 142.919 -13.1487 -68.789 46.8215 139.319 -100.776 -25.2592 PRESSAVG: 2894400 -33.935 19.1168 17.3175 19.117 -47.1071 -27.0335 17.3175 -27.0335 55.5154 GPRESSAVG: 2894400 -33.7187 20.491 19.0312 15.9312 -49.588 -26.3894 15.933 -29.1083 57.8502 TIMING: 2894400 CPU: 8387.99, 0.00289313/step Wall: 8387.99, 0.00289313/step, 1.69216 hours remaining, 208.679688 MB of memory in use. ENERGY: 2894400 739.0504 2103.1234 1949.2625 113.2172 -205941.6300 17686.3021 0.0000 0.0000 34290.3986 -149060.2759 299.4666 -183350.6744 -148967.7991 299.5455 -88.5268 -56.9271 557450.4833 -8.5089 -8.4855 PRESSURE: 2894600 156.016 -201.734 -0.578482 -201.733 121.054 -19.8945 -0.577584 -19.8933 -78.1702 GPRESSURE: 2894600 212.897 -200.941 -103.479 -121.532 160.984 -23.8591 -50.9798 67.8766 -76.7728 PRESSAVG: 2894600 26.0154 22.5713 26.6125 22.5713 -5.44817 -14.5603 26.6126 -14.5602 6.56759 GPRESSAVG: 2894600 26.0357 21.8478 24.262 24.543 -5.33341 -15.6721 28.5146 -13.2847 6.39182 TIMING: 2894600 CPU: 8388.57, 0.0028798/step Wall: 8388.57, 0.0028798/step, 1.6842 hours remaining, 208.679688 MB of memory in use. ENERGY: 2894600 765.6058 2051.6698 1964.4935 109.3188 -206039.2797 17909.4086 0.0000 0.0000 34270.6333 -148968.1499 299.2940 -183238.7832 -148875.3262 299.5364 66.2999 99.0360 555445.5411 9.0449 9.0314 PRESSURE: 2894800 -46.5328 114.391 127.007 114.392 -79.3131 14.7191 127.008 14.7181 -77.365 GPRESSURE: 2894800 -14.3773 59.4183 159.154 129.46 -52.4419 59.7619 135.168 23.477 -53.4728 PRESSAVG: 2894800 13.5515 23.7803 24.4452 23.7803 30.5253 -3.21727 24.4452 -3.21728 -67.1873 GPRESSAVG: 2894800 14.0138 24.2604 25.719 23.3659 32.3889 -1.94332 22.5557 -3.82791 -69.1449 TIMING: 2894800 CPU: 8389.14, 0.00288471/step Wall: 8389.14, 0.00288471/step, 1.68691 hours remaining, 208.679688 MB of memory in use. ENERGY: 2894800 749.2251 2065.9982 1954.2688 127.5316 -206067.0358 17693.1524 0.0000 0.0000 34359.1962 -149117.6636 300.0674 -183476.8597 -149021.8005 300.0719 -67.7369 -40.0973 557122.6872 -7.7035 -7.5807 PRESSURE: 2895000 -7.04122 -16.5731 -37.9796 -16.5728 259.763 -240.874 -37.9814 -240.874 122.858 GPRESSURE: 2895000 63.5212 5.71844 4.69836 -136.695 259.827 -287.435 -107.767 -138.868 146.197 PRESSAVG: 2895000 0.21554 19.4797 5.04736 19.4798 58.3165 -4.68312 5.0473 -4.68309 -13.136 GPRESSAVG: 2895000 0.247566 20.0234 5.28126 20.3604 57.7242 -7.3004 6.95719 -4.63208 -12.6024 TIMING: 2895000 CPU: 8389.72, 0.00290149/step Wall: 8389.72, 0.00290149/step, 1.69657 hours remaining, 208.679688 MB of memory in use. ENERGY: 2895000 728.7771 2119.4416 1957.1063 105.8245 -206653.7189 18087.2071 0.0000 0.0000 34456.4515 -149198.9109 300.9168 -183655.3624 -149094.7544 299.2559 125.1933 156.5153 555688.1643 15.1320 15.1231 PRESSURE: 2895200 201.063 23.7202 53.224 23.7201 390.855 48.1033 53.2242 48.104 111.498 GPRESSURE: 2895200 252.226 -20.2419 48.0589 35.8449 436.737 -7.56521 33.1596 92.107 124.151 PRESSAVG: 2895200 19.1391 -115.218 -25.7349 -115.218 38.7487 -38.3667 -25.7349 -38.3669 -22.4588 GPRESSAVG: 2895200 18.4415 -113.719 -26.6897 -117.181 38.7841 -35.8204 -28.0944 -37.5098 -21.8023 TIMING: 2895200 CPU: 8390.3, 0.00288241/step Wall: 8390.3, 0.00288241/step, 1.68525 hours remaining, 208.679688 MB of memory in use. ENERGY: 2895200 705.9431 2082.9002 1941.4098 108.8337 -206727.8796 18222.6568 0.0000 0.0000 34348.7779 -149317.3582 299.9764 -183666.1361 -149222.4252 299.2795 234.4721 271.0379 555927.5199 11.8097 11.8078 PRESSURE: 2895400 -245.306 -191.109 -26.2165 -191.107 -145.54 -24.0397 -26.2179 -24.0426 -87.5501 GPRESSURE: 2895400 -226.07 -159.41 -8.91129 -186.665 -80.0953 24.7865 -44.279 -63.4568 -80.2227 PRESSAVG: 2895400 -3.69803 -49.7126 -0.0930188 -49.7127 69.6925 0.781531 -0.0930524 0.781437 -20.3393 GPRESSAVG: 2895400 -3.13574 -51.2414 2.57113 -48.6383 70.376 -0.267324 -1.63955 0.654628 -21.474 TIMING: 2895400 CPU: 8390.88, 0.00291263/step Wall: 8390.88, 0.00291263/step, 1.70275 hours remaining, 208.679688 MB of memory in use. ENERGY: 2895400 724.3835 2063.5138 1945.0030 108.2076 -205647.1510 17357.4134 0.0000 0.0000 34251.3073 -149197.3223 299.1252 -183448.6296 -149093.3805 299.4079 -159.4654 -128.7959 557845.6861 15.2184 15.2554 PRESSURE: 2895600 -178.536 39.2226 -26.8434 39.2221 -137.081 -155.133 -26.8446 -155.133 9.32036 GPRESSURE: 2895600 -191.73 -0.383909 -49.3027 2.1761 -79.2514 -260.753 -78.5996 -155.629 64.4836 PRESSAVG: 2895600 16.9459 -74.656 -20.755 -74.656 10.132 46.7832 -20.7551 46.7831 -28.8927 GPRESSAVG: 2895600 15.8116 -74.7659 -23.741 -75.8461 9.90415 45.9533 -19.5458 45.963 -27.8996 TIMING: 2895600 CPU: 8391.47, 0.00291158/step Wall: 8391.47, 0.00291158/step, 1.70198 hours remaining, 208.679688 MB of memory in use. ENERGY: 2895600 726.6980 2048.4510 1945.9261 114.6911 -206060.0237 17638.6387 0.0000 0.0000 34350.7784 -149234.8405 299.9939 -183585.6188 -149138.6664 299.8701 -102.0988 -68.8327 558200.3300 -0.6049 -0.7280 PRESSURE: 2895800 -90.368 15.9326 -126.766 15.9335 -77.4441 2.76118 -126.767 2.76139 -50.6485 GPRESSURE: 2895800 -85.3409 -2.88532 -173.554 -14.639 -30.7252 86.6 -63.4543 34.3125 -9.50592 PRESSAVG: 2895800 -53.5682 -57.0612 -33.7007 -57.0612 -38.0747 11.6811 -33.7009 11.6811 41.1522 GPRESSAVG: 2895800 -51.7369 -56.6024 -35.2911 -56.3887 -39.4399 14.1608 -30.4249 10.8355 40.5317 TIMING: 2895800 CPU: 8392.04, 0.00289524/step Wall: 8392.04, 0.00289524/step, 1.69227 hours remaining, 208.679688 MB of memory in use. ENERGY: 2895800 739.7014 2057.9929 1942.6765 109.9297 -206030.5704 17725.3136 0.0000 0.0000 34310.5702 -149144.3861 299.6427 -183454.9563 -149046.9410 299.9985 -72.8202 -41.8573 557603.4404 -16.8302 -16.8817 PRESSURE: 2896000 -119.028 -162.828 54.788 -162.828 36.3531 86.4249 54.7881 86.4252 -81.332 GPRESSURE: 2896000 -81.1133 -175.849 90.1394 -117.299 71.6253 131.567 39.7063 -34.115 -48.3924 PRESSAVG: 2896000 -24.0769 -31.7755 -27.8036 -31.7755 -15.0113 13.371 -27.8036 13.3709 42.437 GPRESSAVG: 2896000 -24.5824 -34.0599 -26.4546 -29.147 -15.1299 12.0481 -30.2391 14.0262 42.3063 TIMING: 2896000 CPU: 8392.62, 0.00289306/step Wall: 8392.62, 0.00289306/step, 1.69083 hours remaining, 208.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2896000 737.8918 2059.8229 1971.5912 108.0927 -205928.4440 17637.5313 0.0000 0.0000 34232.3910 -149181.1230 298.9600 -183413.5140 -149087.8866 299.8762 -54.6690 -19.2935 557084.1527 1.1163 0.8646 PRESSURE: 2896200 -74.8988 -3.43011 -104.981 -3.43111 268.302 -30.2339 -104.981 -30.2349 235.767 GPRESSURE: 2896200 -13.8093 13.3959 -109.96 -138.286 327.354 -59.1477 -87.5319 -79.4628 208.987 PRESSAVG: 2896200 -53.0985 31.0281 0.492174 31.0281 -23.1726 32.7214 0.492193 32.7213 64.6191 GPRESSAVG: 2896200 -52.4116 32.0711 1.34886 28.2803 -24.2488 34.035 -0.0641856 30.3217 65.0384 TIMING: 2896200 CPU: 8393.2, 0.00290419/step Wall: 8393.2, 0.00290419/step, 1.69718 hours remaining, 208.679688 MB of memory in use. ENERGY: 2896200 736.3257 2048.5945 1963.7519 108.8039 -206527.0190 18209.8760 0.0000 0.0000 34213.7781 -149245.8888 298.7974 -183459.6669 -149142.7155 299.1893 143.0567 174.1771 557399.4248 -3.8840 -3.8740 LDB: ============= START OF LOAD BALANCING ============== 8396.59 LDB: ============== END OF LOAD BALANCING =============== 8396.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8396.59 LDB: ============= START OF LOAD BALANCING ============== 8396.88 LDB: Largest compute 4800 load 0.026342 is 22.4% of average load 0.117853 LDB: Average compute 0.001766 is 1.5% of average load 0.117853 LDB: TIME 8396.88 LOAD: AVG 0.117853 MAX 0.180831 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 8396.88 LOAD: AVG 0.117853 MAX 0.180831 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: TIME 8396.88 LOAD: AVG 0.117853 MAX 0.180831 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: ============== END OF LOAD BALANCING =============== 8396.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8396.89 PRESSURE: 2896400 -19.452 -11.1228 -68.5043 -11.1223 11.7588 -31.0918 -68.5041 -31.0928 118.455 GPRESSURE: 2896400 -38.4358 45.1306 -15.2109 -118.688 55.6436 -18.16 -140.435 -45.8645 194.289 PRESSAVG: 2896400 38.9951 -10.1574 -16.8349 -10.1574 11.122 28.4634 -16.8349 28.4636 -61.269 GPRESSAVG: 2896400 38.0397 -9.12187 -15.0517 -8.35791 12.3392 28.4082 -16.6412 30.1154 -61.3361 TIMING: 2896400 CPU: 8393.79, 0.00293076/step Wall: 8393.79, 0.00293076/step, 1.71254 hours remaining, 209.570312 MB of memory in use. ENERGY: 2896400 730.2783 2045.8780 1952.6066 105.0938 -206277.3657 17802.6974 0.0000 0.0000 34470.1754 -149170.6362 301.0366 -183640.8116 -149073.8501 299.3974 36.9206 70.4991 557858.7618 -3.7173 -3.6524 PRESSURE: 2896600 -38.2893 -130.7 -56.9049 -130.7 -43.4523 -52.2551 -56.9046 -52.2561 -231.695 GPRESSURE: 2896600 -28.2233 -93.911 1.46147 -168.629 32.1652 -48.2839 -32.4513 -20.4311 -222.204 PRESSAVG: 2896600 -66.6806 -53.0616 -33.1123 -53.0616 11.6832 13.1753 -33.1124 13.1753 21.6686 GPRESSAVG: 2896600 -66.5703 -52.7009 -33.7176 -54.6748 12.7254 12.6984 -32.7666 11.6885 20.8223 TIMING: 2896600 CPU: 8394.37, 0.00290246/step Wall: 8394.37, 0.00290246/step, 1.69584 hours remaining, 209.773438 MB of memory in use. ENERGY: 2896600 727.4598 2051.0726 1949.3996 110.0581 -205795.7075 17578.0947 0.0000 0.0000 34154.7087 -149224.9140 298.2816 -183379.6227 -149127.7353 299.4134 -104.4789 -72.7540 558628.0017 -11.1096 -11.0075 PRESSURE: 2896800 100.364 12.8446 34.8834 12.844 81.6556 -86.9978 34.8835 -86.999 419.544 GPRESSURE: 2896800 162.669 38.1026 -105.371 -7.3632 147.239 -78.874 48.4981 -82.6167 392.381 PRESSAVG: 2896800 12.9636 -6.6325 17.3363 -6.63243 -26.978 -35.2083 17.3363 -35.2082 24.1703 GPRESSAVG: 2896800 13.694 -6.21327 15.4158 -7.47704 -27.6301 -35.4085 18.5489 -32.0839 24.4041 TIMING: 2896800 CPU: 8394.95, 0.00290181/step Wall: 8394.95, 0.00290181/step, 1.6953 hours remaining, 209.773438 MB of memory in use. ENERGY: 2896800 728.4486 2071.5201 1968.3587 105.8838 -206167.5378 17929.5368 0.0000 0.0000 34140.0726 -149223.7172 298.1537 -183363.7898 -149132.7045 298.9776 200.5211 234.0964 556490.1337 3.3853 3.4893 PRESSURE: 2897000 125.286 -109.822 -93.928 -109.822 -32.1625 22.0737 -93.9286 22.0744 87.5129 GPRESSURE: 2897000 144.126 -110.595 -9.45821 -94.7263 -10.4206 100.935 -135.19 9.73518 155.918 PRESSAVG: 2897000 16.5869 -5.7462 -41.6604 -5.74625 21.7189 -43.2993 -41.6604 -43.2996 48.8965 GPRESSAVG: 2897000 17.0146 -8.26903 -42.108 -2.76873 23.1613 -43.6984 -40.6434 -43.8584 47.0676 TIMING: 2897000 CPU: 8395.53, 0.00289491/step Wall: 8395.53, 0.00289491/step, 1.69111 hours remaining, 209.773438 MB of memory in use. ENERGY: 2897000 722.3219 2032.5995 1953.0562 116.6068 -205973.8377 17862.7362 0.0000 0.0000 34153.0614 -149133.4558 298.2672 -183286.5172 -149038.0439 299.0986 60.2122 96.5409 556453.4952 29.0674 29.0812 PRESSURE: 2897200 -179.624 54.9949 -54.2626 54.995 28.6932 89.4774 -54.263 89.4783 -151.804 GPRESSURE: 2897200 -159.381 37.4059 11.5381 51.8857 78.3223 120.68 -88.3656 106.406 -133.456 PRESSAVG: 2897200 20.8491 20.3465 3.60037 20.3466 -15.8052 31.118 3.60038 31.1179 5.04327 GPRESSAVG: 2897200 19.0625 22.0333 7.24005 17.1253 -16.4424 31.2323 0.0508522 31.5262 7.48891 TIMING: 2897200 CPU: 8396.11, 0.00289859/step Wall: 8396.11, 0.00289859/step, 1.6931 hours remaining, 209.773438 MB of memory in use. ENERGY: 2897200 728.5551 2089.2152 1960.6842 122.8322 -205848.5343 17677.8332 0.0000 0.0000 34157.4398 -149111.9747 298.3054 -183269.4145 -149013.8237 299.0831 -100.9118 -71.5051 556787.6091 3.3624 3.3697 PRESSURE: 2897400 -149.286 51.9038 123.134 51.9039 -36.9941 -50.4462 123.134 -50.4454 -130.276 GPRESSURE: 2897400 -128.518 -30.3205 72.5145 93.1942 -4.99263 13.7428 170.081 -183.169 -93.0697 PRESSAVG: 2897400 -50.3845 56.5904 8.69975 56.5904 17.7675 -2.20766 8.69967 -2.20783 20.3998 GPRESSAVG: 2897400 -48.8065 54.8397 6.57033 58.7275 16.2256 -3.07498 13.217 -2.89287 20.6957 TIMING: 2897400 CPU: 8396.69, 0.00291616/step Wall: 8396.69, 0.00291616/step, 1.7032 hours remaining, 209.773438 MB of memory in use. ENERGY: 2897400 742.8223 2104.6280 1956.6785 113.3758 -205698.9699 17533.3063 0.0000 0.0000 34172.0363 -149076.1226 298.4329 -183248.1590 -148983.1907 299.3945 -105.5189 -75.5267 557432.8776 -4.0724 -3.9617 PRESSURE: 2897600 13.4678 -39.2324 -1.07678 -39.2323 35.7036 92.356 -1.07807 92.3566 273.154 GPRESSURE: 2897600 55.8394 49.6057 -39.9445 -77.8996 72.346 104.344 114.251 31.5448 294.863 PRESSAVG: 2897600 15.1365 -6.08134 13.5079 -6.0813 9.10869 19.6633 13.5079 19.6634 -14.5598 GPRESSAVG: 2897600 15.5733 -6.40167 14.1971 -5.68799 9.6315 20.3827 11.9738 19.3865 -15.011 TIMING: 2897600 CPU: 8397.27, 0.00288428/step Wall: 8397.27, 0.00288428/step, 1.68442 hours remaining, 209.773438 MB of memory in use. ENERGY: 2897600 751.0658 2108.5251 1966.6697 113.0069 -206167.5879 17933.4925 0.0000 0.0000 34396.5884 -148898.2395 300.3940 -183294.8279 -148801.9022 300.1173 107.4419 141.0162 556533.8819 3.2285 3.3979 PRESSURE: 2897800 9.40029 115.657 -43.8514 115.656 113.807 39.3774 -43.8524 39.3785 51.1829 GPRESSURE: 2897800 73.5846 102.549 -34.5519 2.25567 108.309 -11.1794 -27.8158 88.9978 76.9496 PRESSAVG: 2897800 -86.4761 -31.0013 -9.10754 -31.0013 49.4485 16.4226 -9.10756 16.4225 10.4988 GPRESSAVG: 2897800 -87.8433 -29.9157 -9.71146 -31.9797 50.5607 17.3634 -9.1761 15.3585 10.8417 TIMING: 2897800 CPU: 8397.85, 0.00288669/step Wall: 8397.85, 0.00288669/step, 1.68566 hours remaining, 209.773438 MB of memory in use. ENERGY: 2897800 729.1087 2103.3482 1950.1842 104.7965 -206003.7769 17894.9843 0.0000 0.0000 34266.6013 -148954.7537 299.2588 -183221.3551 -148861.1471 300.0267 58.1300 86.2810 558745.4663 -8.8429 -8.8136 PRESSURE: 2898000 70.2327 69.0601 189.916 69.06 78.1665 -113.83 189.916 -113.831 -231.96 GPRESSURE: 2898000 65.7022 45.9612 151.247 68.8886 77.0613 -117.353 170.32 -208.039 -128.702 PRESSAVG: 2898000 72.8436 6.66248 -12.8061 6.66248 -0.836349 52.8679 -12.8062 52.8678 -109.295 GPRESSAVG: 2898000 73.0052 6.89169 -14.7391 7.33125 -0.0884413 50.4551 -11.9474 54.9965 -109.694 TIMING: 2898000 CPU: 8398.42, 0.00288874/step Wall: 8398.42, 0.00288874/step, 1.6867 hours remaining, 209.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2898000 737.5872 2128.6493 1953.1427 113.1588 -205840.1714 17730.7803 0.0000 0.0000 34143.4959 -149033.3572 298.1836 -183176.8531 -148941.6320 298.5779 -27.8535 4.6872 558527.8131 -12.4291 -12.2591 PRESSURE: 2898200 6.97374 -21.9273 28.4885 -21.9269 -74.8137 -155.567 28.4888 -155.566 28.8927 GPRESSURE: 2898200 45.7799 49.4441 41.3103 17.5248 -18.1251 -128.267 55.4658 -172.357 44.2737 PRESSAVG: 2898200 1.91992 -8.80825 47.0362 -8.80821 -2.6048 -37.2474 47.0362 -37.2474 -3.1605 GPRESSAVG: 2898200 2.52176 -7.36275 47.7025 -8.60995 -3.2028 -36.2671 45.6316 -37.6935 -3.1775 TIMING: 2898200 CPU: 8399, 0.00288878/step Wall: 8399, 0.00288878/step, 1.68657 hours remaining, 209.773438 MB of memory in use. ENERGY: 2898200 749.6962 2089.8323 1964.7559 124.0386 -206149.0814 17690.8887 0.0000 0.0000 34258.9116 -149270.9580 299.1916 -183529.8696 -149179.8841 298.9833 -12.9824 23.9762 557462.5732 -1.2818 -1.2862 PRESSURE: 2898400 -174.103 -11.2375 -63.5716 -11.2388 28.7378 36.006 -63.5739 36.0049 -61.7194 GPRESSURE: 2898400 -153.451 18.8015 -14.6893 17.9556 36.4206 -23.0475 -51.5986 -29.541 5.30848 PRESSAVG: 2898400 23.6676 -29.8758 38.8351 -29.876 9.12972 10.2556 38.8351 10.2556 -21.9784 GPRESSAVG: 2898400 24.2206 -30.8136 40.6245 -29.6119 7.93951 10.569 40.3998 7.87299 -21.5383 TIMING: 2898400 CPU: 8399.58, 0.00289396/step Wall: 8399.58, 0.00289396/step, 1.68943 hours remaining, 209.773438 MB of memory in use. ENERGY: 2898400 764.2258 2076.3115 1936.4481 121.6376 -206011.0275 17758.2751 0.0000 0.0000 34140.9667 -149213.1626 298.1616 -183354.1293 -149120.8702 298.5785 -69.0283 -37.2408 556659.1792 3.6063 3.5406 PRESSURE: 2898600 184.107 23.9115 -110.257 23.9118 -81.0369 -63.3048 -110.256 -63.305 89.8988 GPRESSURE: 2898600 260.334 38.419 -67.4545 -11.8208 -70.4707 -87.8185 -126.424 -30.0146 109.489 PRESSAVG: 2898600 34.8007 -49.4889 -19.0934 -49.4889 30.0844 3.6784 -19.0934 3.67836 -23.6932 GPRESSAVG: 2898600 35.7228 -50.0003 -18.0014 -51.1394 30.0699 2.46251 -20.7899 5.03074 -24.8943 TIMING: 2898600 CPU: 8400.16, 0.00289283/step Wall: 8400.16, 0.00289283/step, 1.68861 hours remaining, 209.773438 MB of memory in use. ENERGY: 2898600 758.1446 2149.6482 1981.7695 111.8042 -206432.8897 17993.5139 0.0000 0.0000 34179.5296 -149258.4796 298.4983 -183438.0092 -149159.0546 298.8963 64.3229 99.7839 557190.4876 13.7306 13.6328 PRESSURE: 2898800 158.107 57.7765 70.1319 57.7767 98.8231 4.81714 70.1307 4.81723 -8.81307 GPRESSURE: 2898800 188.212 66.5602 10.3271 50.7581 134.082 -65.9024 62.3966 -6.4539 26.0878 PRESSAVG: 2898800 -9.6145 -29.2288 17.5378 -29.2288 -38.6961 -11.3146 17.5378 -11.3145 -0.160517 GPRESSAVG: 2898800 -11.2747 -29.4662 16.173 -28.331 -37.9293 -11.2101 16.7902 -10.8221 0.385754 TIMING: 2898800 CPU: 8400.74, 0.00289466/step Wall: 8400.74, 0.00289466/step, 1.68952 hours remaining, 209.773438 MB of memory in use. ENERGY: 2898800 714.8050 2116.0239 1959.3944 105.6166 -206326.1368 17805.9599 0.0000 0.0000 34355.7209 -149268.6160 300.0371 -183624.3370 -149168.9486 298.5354 82.7056 116.1275 556450.3404 -16.1570 -16.2727 PRESSURE: 2899000 -71.8633 -9.39054 -81.6595 -9.3901 -138.516 106.346 -81.6593 106.347 -74.0996 GPRESSURE: 2899000 -53.048 32.2981 -112.761 -16.2328 -59.8593 -25.195 -51.3507 173.755 -82.8297 PRESSAVG: 2899000 23.6567 6.04579 -31.5056 6.04578 -11.5733 2.96286 -31.5055 2.96289 2.07696 GPRESSAVG: 2899000 24.142 6.99866 -32.1349 4.6188 -10.9565 5.71525 -29.636 0.924114 0.790053 TIMING: 2899000 CPU: 8401.32, 0.00290675/step Wall: 8401.32, 0.00290675/step, 1.69641 hours remaining, 209.972656 MB of memory in use. ENERGY: 2899000 724.1906 2072.9092 1933.4829 121.8705 -206073.8537 17546.9578 0.0000 0.0000 34049.1569 -149625.2858 297.3598 -183674.4427 -149526.1273 298.7718 -94.8263 -65.2457 557150.7257 4.7201 4.6585 PRESSURE: 2899200 52.0157 23.2124 128.2 23.2139 -53.7488 -14.6033 128.201 -14.6033 -206.822 GPRESSURE: 2899200 14.7937 2.38472 63.0677 66.9436 11.186 30.3249 221.163 -55.2611 -139.076 PRESSAVG: 2899200 42.9078 -10.2096 -21.4798 -10.2096 0.72036 -9.25139 -21.4799 -9.25137 20.2223 GPRESSAVG: 2899200 43.0792 -9.05169 -23.298 -8.26839 -1.00379 -12.1851 -21.5029 -7.85882 21.5994 TIMING: 2899200 CPU: 8401.9, 0.00292237/step Wall: 8401.9, 0.00292237/step, 1.70537 hours remaining, 209.972656 MB of memory in use. ENERGY: 2899200 718.5632 2014.5174 1966.4284 113.6853 -206493.4072 17711.4255 0.0000 0.0000 34267.8839 -149700.9036 299.2700 -183968.7875 -149593.6248 298.0572 -69.5182 -37.6989 557274.6302 21.2835 21.2249 PRESSURE: 2899400 229.661 135.549 -44.5867 135.548 -70.0581 20.8743 -44.5869 20.8739 -10.3565 GPRESSURE: 2899400 217.852 155.691 -10.6206 125.859 -43.4833 -64.0897 -188.99 76.6868 68.741 PRESSAVG: 2899400 0.319876 -2.49435 -0.0306331 -2.49439 -21.0842 -33.3329 -0.0305919 -33.333 3.47773 GPRESSAVG: 2899400 -0.416159 -2.99343 4.59575 -2.23852 -21.634 -31.8689 -2.15277 -34.7491 4.05067 TIMING: 2899400 CPU: 8402.49, 0.00291843/step Wall: 8402.49, 0.00291843/step, 1.7029 hours remaining, 210.042969 MB of memory in use. ENERGY: 2899400 735.6177 2055.7263 1975.7058 115.2886 -206380.4179 17779.0517 0.0000 0.0000 33986.2523 -149732.7756 296.8104 -183719.0279 -149636.8392 297.7080 49.7489 81.0365 557405.8696 -5.7622 -5.9998 PRESSURE: 2899600 -83.3556 95.3561 -100.271 95.3563 212.042 -45.9492 -100.27 -45.9507 256.268 GPRESSURE: 2899600 -30.4139 56.2947 5.25391 223.672 249.737 -26.6154 -47.2102 48.0779 259.007 PRESSAVG: 2899600 1.35278 43.1302 -25.6397 43.1303 28.7936 19.0353 -25.6398 19.0354 -21.5698 GPRESSAVG: 2899600 2.63988 40.0586 -27.2402 44.1368 29.5556 18.529 -25.5053 20.7077 -23.6537 TIMING: 2899600 CPU: 8403.07, 0.0029054/step Wall: 8403.07, 0.0029054/step, 1.69514 hours remaining, 210.042969 MB of memory in use. ENERGY: 2899600 729.8868 2111.4681 1955.4366 125.7030 -206779.1368 18019.5777 0.0000 0.0000 34122.7004 -149714.3641 298.0020 -183837.0645 -149616.7861 297.6482 128.3183 159.4433 555947.3274 2.8589 2.8473 PRESSURE: 2899800 -33.7447 12.0912 24.5665 12.0914 5.58136 83.512 24.5677 83.5127 166.757 GPRESSURE: 2899800 9.70446 97.4824 16.515 50.5708 12.5508 98.5325 16.8718 90.3148 202.598 PRESSAVG: 2899800 0.850985 43.2258 -4.39568 43.2259 -78.8944 -10.8994 -4.39574 -10.8993 102.241 GPRESSAVG: 2899800 0.117886 43.4904 -7.8583 42.9567 -78.6593 -9.67165 -2.15674 -10.3387 102.667 TIMING: 2899800 CPU: 8403.65, 0.00290981/step Wall: 8403.65, 0.00290981/step, 1.69755 hours remaining, 210.042969 MB of memory in use. ENERGY: 2899800 707.1585 2065.9364 1973.9776 117.9886 -206795.1636 17983.0695 0.0000 0.0000 34182.4675 -149764.5655 298.5240 -183947.0330 -149668.4296 297.2686 46.1980 74.9512 556338.3859 8.0658 8.0419 WRITING COORDINATES TO DCD FILE MD.2.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: 2900000 -122.826 -166.334 -109.476 -166.333 -112.912 140.146 -109.475 140.146 -315.206 GPRESSURE: 2900000 -124.129 -134.602 -61.8089 -213.762 -36.8459 101.233 -131.878 -10.0546 -302.633 PRESSAVG: 2900000 -32.1234 -13.031 -27.1903 -13.0309 -73.3064 83.1281 -27.1903 83.1282 70.8003 GPRESSAVG: 2900000 -33.5535 -12.7912 -24.9685 -10.8533 -73.4944 81.4655 -30.6463 82.5057 72.7248 TIMING: 2900000 CPU: 8404.25, 0.00297375/step Wall: 8404.25, 0.00297375/step, 1.73469 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2900000 783.2599 2111.8456 1939.9811 92.3171 -206504.3585 17645.2635 0.0000 0.0000 34270.2423 -149661.4491 299.2905 -183931.6914 -149569.4086 298.2611 -183.6480 -154.5358 555919.5971 -11.5432 -11.4410 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 PRESSURE: 2900200 -202.222 -143.552 -56.7578 -143.554 145.019 122.69 -56.7568 122.691 -75.7422 GPRESSURE: 2900200 -146.832 -163.214 -3.61951 -122.55 134.727 224.262 -61.5425 93.5356 -29.0919 PRESSAVG: 2900200 -13.2451 -41.3857 -34.4175 -41.3858 19.3956 39.2812 -34.4175 39.2812 24.4883 GPRESSAVG: 2900200 -11.2575 -40.1567 -33.8065 -42.8824 20.0747 38.9089 -32.3867 39.3269 21.9166 TIMING: 2900200 CPU: 8404.83, 0.00291286/step Wall: 8404.83, 0.00291286/step, 1.699 hours remaining, 210.042969 MB of memory in use. ENERGY: 2900200 698.8569 2006.9465 1952.7177 115.6521 -206462.2696 17765.2698 0.0000 0.0000 34220.8364 -149701.9902 298.8591 -183922.8266 -149601.3612 297.6194 -44.3153 -13.7322 557284.4828 10.2129 10.2446 LDB: ============= START OF LOAD BALANCING ============== 8408.21 LDB: ============== END OF LOAD BALANCING =============== 8408.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8408.21 LDB: ============= START OF LOAD BALANCING ============== 8408.51 LDB: Largest compute 4800 load 0.026158 is 22.2% of average load 0.117956 LDB: Average compute 0.001769 is 1.5% of average load 0.117956 LDB: TIME 8408.51 LOAD: AVG 0.117956 MAX 0.179786 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.059 MB LDB: TIME 8408.51 LOAD: AVG 0.117956 MAX 0.179786 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 8408.51 LOAD: AVG 0.117956 MAX 0.179786 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: ============== END OF LOAD BALANCING =============== 8408.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8408.51 PRESSURE: 2900400 96.7834 88.3624 -108.749 88.3617 -161.704 -0.799958 -108.751 -0.801774 -157.894 GPRESSURE: 2900400 97.1985 101.832 -95.3392 43.2337 -96.1313 22.5778 -54.7976 90.4616 -135.025 PRESSAVG: 2900400 23.8641 -42.4837 -29.5321 -42.4836 3.2057 -41.2041 -29.5321 -41.2041 5.48194 GPRESSAVG: 2900400 22.682 -41.6589 -28.1557 -44.2113 3.06821 -39.9202 -30.5591 -40.2367 6.54982 TIMING: 2900400 CPU: 8405.42, 0.00295357/step Wall: 8405.42, 0.00295357/step, 1.72259 hours remaining, 209.187500 MB of memory in use. ENERGY: 2900400 713.6353 2054.5762 1968.9747 103.6831 -206581.4834 17885.5947 0.0000 0.0000 34254.6024 -149600.4170 299.1540 -183855.0194 -149500.6335 298.4550 -74.2718 -44.6527 558109.6196 10.8506 10.7667 PRESSURE: 2900600 -326.373 125.645 17.4831 125.644 -274.32 -169.998 17.4824 -170 71.3511 GPRESSURE: 2900600 -267.435 102.051 30.9466 160.931 -244.931 -189.931 -64.138 -92.7379 82.5845 PRESSAVG: 2900600 12.2931 12.1067 -66.1216 12.1067 -12.752 -47.002 -66.1215 -47.0019 33.1058 GPRESSAVG: 2900600 13.7093 10.5618 -65.7649 14.1322 -13.2324 -46.9907 -64.5371 -46.4617 32.7731 TIMING: 2900600 CPU: 8406.01, 0.00292961/step Wall: 8406.01, 0.00292961/step, 1.70845 hours remaining, 209.199219 MB of memory in use. ENERGY: 2900600 759.0789 2075.9077 1953.6558 102.6500 -206347.3545 17734.1950 0.0000 0.0000 34187.6021 -149534.2651 298.5688 -183721.8672 -149439.7888 298.2305 -176.4475 -143.2607 557582.3012 10.8823 11.0833 PRESSURE: 2900800 -92.2887 -91.1432 -39.808 -91.1423 51.9002 66.011 -39.8077 66.0102 274.189 GPRESSURE: 2900800 -100.099 -46.2144 -81.9838 -160.242 82.0243 46.3134 -77.4549 79.4076 349.731 PRESSAVG: 2900800 -77.2995 -8.47829 8.43065 -8.47833 6.51054 4.51066 8.43069 4.5106 71.3843 GPRESSAVG: 2900800 -78.2255 -8.08496 6.04498 -8.20343 6.73595 3.12139 8.52143 5.48696 71.4976 TIMING: 2900800 CPU: 8406.59, 0.00291872/step Wall: 8406.59, 0.00291872/step, 1.70194 hours remaining, 209.199219 MB of memory in use. ENERGY: 2900800 716.1207 2081.1390 1966.3499 105.2284 -206451.2033 17958.1219 0.0000 0.0000 34112.4103 -149511.8331 297.9122 -183624.2434 -149419.7169 298.8229 77.9334 110.5521 556405.5409 0.1984 0.0027 PRESSURE: 2901000 40.8422 -159.266 73.274 -159.265 80.4952 -130.064 73.2743 -130.065 -145.72 GPRESSURE: 2901000 63.1751 -151.434 99.1348 -144.6 49.7792 -193.694 27.8749 -131.505 -46.3414 PRESSAVG: 2901000 -32.1791 -37.5271 -47.7766 -37.5271 -23.7572 18.6405 -47.7766 18.6405 58.9053 GPRESSAVG: 2901000 -31.8788 -37.1746 -46.2754 -37.0473 -23.722 20.3376 -49.4752 17.9342 58.0152 TIMING: 2901000 CPU: 8407.17, 0.00293006/step Wall: 8407.17, 0.00293006/step, 1.70839 hours remaining, 209.199219 MB of memory in use. ENERGY: 2901000 713.6544 2041.9927 1974.1242 114.8348 -206576.7613 17797.2938 0.0000 0.0000 34243.8173 -149691.0440 299.0598 -183934.8613 -149596.0964 298.1165 -8.1275 22.2043 556812.9029 0.9896 0.8048 PRESSURE: 2901200 33.3381 -57.3669 -125.429 -57.366 315.284 42.0897 -125.427 42.0905 -95.1327 GPRESSURE: 2901200 52.2258 -62.228 -73.0522 -124.546 347.532 54.6134 -104.242 25.5875 -49.7345 PRESSAVG: 2901200 -44.6207 -0.0500608 39.8898 -0.0498328 75.7441 -5.92015 39.8898 -5.92028 -18.7628 GPRESSAVG: 2901200 -45.8985 -1.53614 40.9024 -1.70789 75.8998 -6.7923 41.5822 -7.51672 -17.8451 TIMING: 2901200 CPU: 8407.76, 0.00291366/step Wall: 8407.76, 0.00291366/step, 1.69867 hours remaining, 209.199219 MB of memory in use. ENERGY: 2901200 728.1026 2098.9357 1949.8021 109.5875 -206586.1518 18044.7379 0.0000 0.0000 34209.3902 -149445.5957 298.7591 -183654.9859 -149347.4628 298.2414 84.4965 116.6744 557179.5088 4.1202 4.0521 PRESSURE: 2901400 -54.1459 -130.237 58.4844 -130.236 3.45573 35.6299 58.4838 35.6283 -3.78184 GPRESSURE: 2901400 -15.5802 -83.284 89.9853 -166.545 42.2373 20.5841 -35.747 57.6629 23.3185 PRESSAVG: 2901400 -63.905 33.9709 -14.4907 33.9709 30.2097 32.0797 -14.4908 32.0797 40.8606 GPRESSAVG: 2901400 -63.245 34.6936 -17.0619 35.2987 28.8473 32.2132 -15.5878 35.0069 41.1021 TIMING: 2901400 CPU: 8408.34, 0.00292054/step Wall: 8408.34, 0.00292054/step, 1.70251 hours remaining, 209.199219 MB of memory in use. ENERGY: 2901400 775.0703 2070.8131 1975.9434 99.1367 -206475.1807 17895.7734 0.0000 0.0000 34153.0751 -149505.3687 298.2673 -183658.4438 -149413.7137 298.7209 -18.1573 16.6585 556026.1477 2.3884 2.2348 PRESSURE: 2901600 -56.2912 -156.378 -75.7078 -156.379 23.9037 49.3641 -75.7086 49.3651 217.929 GPRESSURE: 2901600 -43.5891 -233.227 -122.99 -134.968 52.8836 133.024 -59.1023 46.3928 277.021 PRESSAVG: 2901600 -54.5157 3.42488 21.3878 3.42482 32.2169 56.1996 21.3878 56.1996 44.9776 GPRESSAVG: 2901600 -54.365 4.3656 22.7377 3.19996 32.7745 56.2154 21.8384 56.0029 44.0063 TIMING: 2901600 CPU: 8408.93, 0.0029313/step Wall: 8408.93, 0.0029313/step, 1.70862 hours remaining, 209.199219 MB of memory in use. ENERGY: 2901600 728.7559 2090.0162 1937.8564 128.9045 -206498.1738 17957.4795 0.0000 0.0000 34326.9892 -149328.1722 299.7861 -183655.1613 -149232.5740 298.2274 61.8472 95.4386 557223.9027 7.5596 7.4719 PRESSURE: 2901800 -159.721 -80.2202 -197.249 -80.2209 -184.805 201.938 -197.25 201.938 -3.81228 GPRESSURE: 2901800 -148.198 -37.0028 -149.963 -100.928 -64.8524 162.879 -201.394 219.469 -41.5628 PRESSAVG: 2901800 -128.681 -17.1663 28.6102 -17.1663 71.4272 -8.55866 28.6102 -8.55866 67.8428 GPRESSAVG: 2901800 -128.315 -17.5048 29.4303 -16.495 70.6738 -8.45709 29.0885 -10.5869 68.3472 TIMING: 2901800 CPU: 8409.51, 0.00290428/step Wall: 8409.51, 0.00290428/step, 1.69271 hours remaining, 209.289062 MB of memory in use. ENERGY: 2901800 742.2392 2083.0990 1983.4282 110.5133 -206013.7666 17783.1717 0.0000 0.0000 34127.0447 -149184.2704 298.0400 -183311.3152 -149090.5320 298.5983 -116.1125 -84.8709 559769.3590 3.5296 3.5685 PRESSURE: 2902000 -180.314 130.674 149.508 130.674 -257.465 -72.66 149.508 -72.6608 -67.5528 GPRESSURE: 2902000 -135.474 122.222 133.253 90.0087 -232.507 -34.1849 178.939 -131.64 -47.9152 PRESSAVG: 2902000 -9.39226 3.19139 -79.2665 3.19131 6.00888 -6.46309 -79.2665 -6.46318 20.0496 GPRESSAVG: 2902000 -8.75418 2.1382 -81.2418 1.72755 5.89991 -6.19082 -79.4333 -4.00929 19.4716 TIMING: 2902000 CPU: 8410.09, 0.00288934/step Wall: 8410.09, 0.00288934/step, 1.68384 hours remaining, 209.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2902000 758.0668 2071.7738 1961.8720 107.4896 -206167.3481 17646.4740 0.0000 0.0000 34408.7406 -149212.9312 300.5001 -183621.6718 -149114.3180 298.8635 -168.4438 -138.6318 557332.6776 5.5554 5.5391 PRESSURE: 2902200 33.5729 -125.673 98.9816 -125.673 47.2458 7.17531 98.9814 7.17165 138.941 GPRESSURE: 2902200 41.0949 -26.4508 107.878 -34.2921 91.6394 57.6115 106.552 -91.0742 178.193 PRESSAVG: 2902200 -11.1317 4.93101 18.1989 4.93102 -17.5524 12.6581 18.199 12.6581 21.1556 GPRESSAVG: 2902200 -12.3605 5.85756 21.0625 6.46933 -16.4894 13.0394 18.557 13.2254 21.4451 TIMING: 2902200 CPU: 8410.67, 0.002908/step Wall: 8410.67, 0.002908/step, 1.69455 hours remaining, 209.289062 MB of memory in use. ENERGY: 2902200 719.4421 2076.7035 1980.6126 113.9111 -206392.2772 17895.8750 0.0000 0.0000 34198.3772 -149407.3557 298.6629 -183605.7329 -149310.8541 298.8583 73.2531 103.6424 557570.8538 -2.5095 -2.4683 PRESSURE: 2902400 -204.981 -5.88153 163.267 -5.8816 -24.8699 -84.1265 163.268 -84.1265 -39.6595 GPRESSURE: 2902400 -166.563 -119.026 207.354 66.9928 32.681 -42.3666 136.503 -120.523 -38.7208 PRESSAVG: 2902400 14.9541 16.2373 13.979 16.2374 -87.7809 -13.9376 13.979 -13.9375 11.2565 GPRESSAVG: 2902400 15.627 17.6774 11.5661 15.1859 -89.0094 -14.184 14.7491 -14.4131 12.1908 TIMING: 2902400 CPU: 8411.25, 0.00288914/step Wall: 8411.25, 0.00288914/step, 1.68341 hours remaining, 209.289062 MB of memory in use. ENERGY: 2902400 740.8429 2029.7904 1962.2276 115.1683 -206128.9247 17743.0198 0.0000 0.0000 34274.7253 -149263.1505 299.3297 -183537.8758 -149161.7889 298.3151 -89.8368 -57.5342 558789.5277 -20.5234 -20.3972 PRESSURE: 2902600 -182.564 -53.7661 66.7722 -53.766 96.5377 -64.9467 66.7727 -64.9481 -52.8663 GPRESSURE: 2902600 -160.5 -17.1361 90.4689 -101.79 123.472 117.276 61.0189 -146.576 -10.6667 PRESSAVG: 2902600 9.70279 -24.4881 25.7449 -24.488 -42.7844 -10.2266 25.7449 -10.2266 6.10789 GPRESSAVG: 2902600 10.6805 -26.278 24.1433 -23.2617 -41.5562 -10.1833 24.6472 -11.0962 4.3677 TIMING: 2902600 CPU: 8411.82, 0.00289121/step Wall: 8411.82, 0.00289121/step, 1.68445 hours remaining, 209.289062 MB of memory in use. ENERGY: 2902600 721.9461 2115.5860 1945.0136 113.8958 -206491.3935 17911.5515 0.0000 0.0000 34323.7360 -149359.6644 299.7577 -183683.4004 -149266.9846 299.2578 -46.2975 -15.8982 558455.2399 -8.9913 -8.8360 PRESSURE: 2902800 108.289 -46.6435 236.257 -46.6442 -56.7387 -85.9987 236.258 -85.9987 20.4776 GPRESSURE: 2902800 118.688 -52.6671 152.552 -53.7894 -33.2185 -27.3644 291.905 -116.936 85.7205 PRESSAVG: 2902800 9.49429 8.5062 -0.740162 8.50618 -22.5939 -32.7035 -0.740153 -32.7035 11.8924 GPRESSAVG: 2902800 7.91819 9.47166 2.04918 7.59023 -21.4757 -31.8381 -2.00608 -31.9285 12.5358 TIMING: 2902800 CPU: 8412.41, 0.00290514/step Wall: 8412.41, 0.00290514/step, 1.69241 hours remaining, 209.289062 MB of memory in use. ENERGY: 2902800 725.3940 2061.1431 2005.5311 114.7333 -206568.5059 17883.9415 0.0000 0.0000 34512.8377 -149264.9252 301.4092 -183777.7629 -149168.8416 298.7837 24.0093 57.0633 557178.7917 -0.4024 -0.3406 PRESSURE: 2903000 196.505 31.5603 -90.536 31.5597 23.8642 195.483 -90.537 195.484 -18.863 GPRESSURE: 2903000 200.385 -7.19461 -148.838 75.6655 -4.81099 248.01 -76.1591 181.336 96.1206 PRESSAVG: 2903000 8.35162 2.17925 48.9054 2.17925 -34.0488 48.2243 48.9055 48.2242 45.0312 GPRESSAVG: 2903000 8.96553 1.5623 45.9115 1.99582 -35.9783 48.0929 49.9116 46.617 46.6416 TIMING: 2903000 CPU: 8412.99, 0.00290053/step Wall: 8412.99, 0.00290053/step, 1.68956 hours remaining, 209.289062 MB of memory in use. ENERGY: 2903000 751.2998 2093.8856 1959.6707 114.9841 -206439.7204 18125.5099 0.0000 0.0000 34115.1485 -149279.2218 297.9361 -183394.3703 -149188.2352 299.1875 67.1688 97.2316 558908.2838 6.4447 6.5429 PRESSURE: 2903200 300.551 244.953 -45.7468 244.952 -115.472 -151.463 -45.7461 -151.462 -12.5154 GPRESSURE: 2903200 338.968 218.009 -9.02158 206.481 -46.492 -208.647 -47.3679 -119.124 -32.119 PRESSAVG: 2903200 36.204 19.6895 -7.70275 19.6895 -12.9257 18.9934 -7.70279 18.9935 35.6559 GPRESSAVG: 2903200 36.4963 18.8254 -5.29002 20.2233 -13.1139 16.7264 -8.07509 21.556 35.2514 TIMING: 2903200 CPU: 8413.56, 0.00286895/step Wall: 8413.56, 0.00286895/step, 1.671 hours remaining, 209.289062 MB of memory in use. ENERGY: 2903200 739.2627 2069.4902 1945.8720 110.5797 -206593.1830 18106.6503 0.0000 0.0000 34387.2611 -149234.0670 300.3125 -183621.3281 -149140.6880 299.3358 57.5213 86.7856 558185.4563 19.6448 19.5446 PRESSURE: 2903400 -38.5039 53.1653 -133.466 53.1643 -94.7173 239.415 -133.465 239.414 -187.752 GPRESSURE: 2903400 -22.4729 -23.0702 -224.379 122.116 -90.1819 259.515 -134.538 174.56 -109.973 PRESSAVG: 2903400 57.5445 66.8059 -39.356 66.8058 -26.8835 57.8324 -39.3559 57.8323 -9.96364 GPRESSAVG: 2903400 57.6084 67.3214 -40.4964 67.2432 -26.4285 59.8834 -39.3625 55.217 -10.6227 TIMING: 2903400 CPU: 8414.13, 0.00287361/step Wall: 8414.13, 0.00287361/step, 1.67356 hours remaining, 209.289062 MB of memory in use. ENERGY: 2903400 744.6630 2092.0891 1948.3783 120.3142 -206149.6837 17809.0771 0.0000 0.0000 34060.0406 -149375.1214 297.4548 -183435.1620 -149280.4974 299.1116 -106.9911 -74.2094 559238.5216 6.8991 6.8524 PRESSURE: 2903600 161.287 99.5496 -83.8212 99.5485 310.089 65.9433 -83.8225 65.9423 233.131 GPRESSURE: 2903600 240.336 51.6875 -67.8997 139.199 351.515 45.2864 -69.1023 67.5681 209.621 PRESSAVG: 2903600 11.4096 7.0278 3.45439 7.02786 -27.8252 22.853 3.45446 22.853 44.6324 GPRESSAVG: 2903600 11.666 7.5514 2.64686 6.2404 -28.5962 23.5238 4.77076 21.8596 45.3968 TIMING: 2903600 CPU: 8414.71, 0.00288686/step Wall: 8414.71, 0.00288686/step, 1.68112 hours remaining, 209.289062 MB of memory in use. ENERGY: 2903600 750.3335 2060.4534 1933.0929 96.1348 -206754.6188 18399.1648 0.0000 0.0000 34110.7884 -149404.6511 297.8980 -183515.4395 -149308.7157 298.4040 234.8358 267.1575 557664.6886 9.4056 9.4888 PRESSURE: 2903800 -207.154 -13.3903 146.57 -13.3905 -163.315 -25.1102 146.568 -25.1112 71.1158 GPRESSURE: 2903800 -229.906 98.1833 129.907 -112.946 -45.1209 -43.7486 168.789 53.8989 87.5815 PRESSAVG: 2903800 -32.9952 28.243 58.7066 28.243 20.8149 -15.7152 58.7066 -15.715 35.6131 GPRESSAVG: 2903800 -33.8186 26.2252 59.9673 26.7956 22.5277 -16.3417 59.0438 -15.2908 34.3904 TIMING: 2903800 CPU: 8415.29, 0.00288125/step Wall: 8415.29, 0.00288125/step, 1.67769 hours remaining, 209.289062 MB of memory in use. ENERGY: 2903800 759.1268 2033.7887 1969.5069 113.8871 -206167.0293 17904.4903 0.0000 0.0000 34229.9042 -149156.3254 298.9383 -183386.2296 -149055.9395 298.8420 -99.7845 -62.4819 560165.4831 7.8109 7.6998 PRESSURE: 2904000 -13.1858 87.0124 27.1251 87.0121 14.2229 -41.6365 27.1237 -41.6369 206.075 GPRESSURE: 2904000 26.2935 57.322 84.5156 93.9835 3.45811 -69.4098 9.24918 -17.4508 281.425 PRESSAVG: 2904000 -26.0466 -71.4422 67.9494 -71.4422 14.0538 -6.48814 67.9494 -6.48817 32.7984 GPRESSAVG: 2904000 -26.5145 -68.8477 65.9714 -71.0983 13.5341 -4.88641 68.5664 -6.35591 33.7238 TIMING: 2904000 CPU: 8415.87, 0.00289066/step Wall: 8415.87, 0.00289066/step, 1.68301 hours remaining, 209.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2904000 739.4667 2029.9229 1934.9176 113.4778 -206172.7128 17700.5743 0.0000 0.0000 34471.6390 -149182.7145 301.0494 -183654.3535 -149087.3369 299.6490 69.0374 103.7256 557374.4516 6.9352 6.9145 PRESSURE: 2904200 -291.353 10.2942 -70.7711 10.2939 -192.162 -87.7222 -70.7696 -87.7207 -87.379 GPRESSURE: 2904200 -259.452 -13.7936 -74.923 21.1555 -127.84 -147.181 -32.8021 -48.6516 -77.362 PRESSAVG: 2904200 -54.0098 12.0231 24.4842 12.0231 2.18527 -9.122 24.4842 -9.12195 32.499 GPRESSAVG: 2904200 -52.7989 10.045 25.3571 15.0732 2.60897 -10.9323 24.0599 -8.62443 30.77 TIMING: 2904200 CPU: 8416.45, 0.00290222/step Wall: 8416.45, 0.00290222/step, 1.68958 hours remaining, 209.289062 MB of memory in use. ENERGY: 2904200 765.3915 2075.8259 1953.6911 119.2123 -205860.4314 17714.3761 0.0000 0.0000 34016.2208 -149215.7137 297.0721 -183231.9344 -149119.0309 299.5711 -190.2979 -154.8846 558737.5808 -6.4418 -6.4733 LDB: ============= START OF LOAD BALANCING ============== 8419.83 LDB: ============== END OF LOAD BALANCING =============== 8419.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8419.83 LDB: ============= START OF LOAD BALANCING ============== 8420.12 LDB: Largest compute 4801 load 0.025696 is 21.8% of average load 0.117874 LDB: Average compute 0.001756 is 1.5% of average load 0.117874 LDB: TIME 8420.12 LOAD: AVG 0.117874 MAX 0.178955 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.633 MB LDB: TIME 8420.12 LOAD: AVG 0.117874 MAX 0.178955 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.84 MB LDB: TIME 8420.13 LOAD: AVG 0.117874 MAX 0.178955 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8420.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8420.13 PRESSURE: 2904400 -77.9923 182.609 -230.372 182.611 -250.92 59.2799 -230.372 59.2811 -44.092 GPRESSURE: 2904400 -96.3834 116.965 -144.261 197.345 -230.798 132.01 -308.723 41.9052 45.5892 PRESSAVG: 2904400 -63.9405 65.6379 -36.2712 65.6379 -6.465 69.5326 -36.2712 69.5326 104.242 GPRESSAVG: 2904400 -63.1227 65.3751 -36.6638 64.5885 -7.37972 68.098 -37.869 69.327 104.231 TIMING: 2904400 CPU: 8417.04, 0.00294614/step Wall: 8417.04, 0.00294614/step, 1.71498 hours remaining, 209.402344 MB of memory in use. ENERGY: 2904400 794.3411 2054.0364 1943.7000 116.1462 -206265.1226 17801.8469 0.0000 0.0000 34099.8912 -149455.1608 297.8028 -183555.0521 -149360.8644 298.5972 -124.3348 -93.8640 557534.9916 11.2790 11.2427 PRESSURE: 2904600 -119.398 -106.46 17.4415 -106.459 81.9304 156.364 17.4418 156.365 88.7291 GPRESSURE: 2904600 -29.9523 -19.6208 -23.4473 -211.48 74.5179 179.22 45.128 171.867 95.6895 PRESSAVG: 2904600 -22.5607 -30.6055 12.3593 -30.6055 19.7936 49.4269 12.3594 49.4268 34.3267 GPRESSAVG: 2904600 -23.437 -28.7334 11.2368 -33.2 20.0094 51.2094 13.0841 51.3861 35.0861 TIMING: 2904600 CPU: 8417.62, 0.00290192/step Wall: 8417.62, 0.00290192/step, 1.68908 hours remaining, 209.863281 MB of memory in use. ENERGY: 2904600 746.7246 2150.8335 1957.3970 116.3058 -206521.3331 17844.4706 0.0000 0.0000 34220.0313 -149485.5704 298.8520 -183705.6016 -149394.3415 299.0242 17.0870 46.7517 557102.9614 10.5199 10.5529 PRESSURE: 2904800 -266.06 -127.498 -105.829 -127.499 -29.7896 46.5854 -105.828 46.5851 -72.4804 GPRESSURE: 2904800 -153.63 -138.487 -84.5196 -108.901 -9.37348 16.457 -30.317 70.3183 -108.389 PRESSAVG: 2904800 -15.5222 -7.58714 3.42699 -7.5871 -38.6393 -18.8838 3.42695 -18.8839 43.7213 GPRESSAVG: 2904800 -15.0341 -8.30473 4.38367 -4.82079 -38.9335 -18.7423 5.88158 -20.5645 43.5555 TIMING: 2904800 CPU: 8418.2, 0.00290262/step Wall: 8418.2, 0.00290262/step, 1.68932 hours remaining, 209.863281 MB of memory in use. ENERGY: 2904800 759.8050 2070.1455 1949.5696 115.7092 -206071.9455 17575.2854 0.0000 0.0000 34215.1119 -149386.3188 298.8091 -183601.4307 -149290.9206 298.8423 -122.7768 -90.4643 556965.9728 -3.4801 -3.4707 PRESSURE: 2905000 243.657 45.338 -32.3052 45.338 270.32 3.35771 -32.3052 3.35955 123.937 GPRESSURE: 2905000 222.181 88.0909 -70.3744 -44.7861 295.787 -24.7805 40.4194 58.7224 218.733 PRESSAVG: 2905000 -13.1371 11.8052 -2.05182 11.8052 48.6337 49.4965 -2.0519 49.4967 -39.597 GPRESSAVG: 2905000 -14.9838 12.3096 -2.53827 11.5274 49.7908 50.7194 -1.80273 50.1764 -38.829 TIMING: 2905000 CPU: 8418.77, 0.00289318/step Wall: 8418.77, 0.00289318/step, 1.68367 hours remaining, 209.863281 MB of memory in use. ENERGY: 2905000 735.0891 2106.2215 1965.7452 117.4864 -206297.4813 17972.5357 0.0000 0.0000 34089.9935 -149310.4099 297.7164 -183400.4034 -149212.4414 299.2752 212.6378 245.5671 556152.3405 -1.3668 -1.3407 PRESSURE: 2905200 -164.06 77.9353 -107.522 77.9371 -149.645 137.927 -107.523 137.928 -63.2391 GPRESSURE: 2905200 -140.585 91.2317 -11.6886 65.3286 -97.1528 83.8897 -193.523 222.886 -42.2498 PRESSAVG: 2905200 35.6165 -18.0033 3.34881 -18.0033 -20.8311 94.6083 3.34889 94.6083 18.8442 GPRESSAVG: 2905200 36.6507 -18.9302 1.95195 -19.4692 -21.0183 93.3786 1.35 94.9663 17.5846 TIMING: 2905200 CPU: 8419.36, 0.00290557/step Wall: 8419.36, 0.00290557/step, 1.69072 hours remaining, 209.863281 MB of memory in use. ENERGY: 2905200 704.3123 2153.1029 1951.0853 103.3553 -206044.0562 17675.0042 0.0000 0.0000 34187.3112 -149269.8850 298.5663 -183457.1962 -149173.3334 299.2041 -125.6480 -93.3291 557770.7660 11.2099 11.0723 PRESSURE: 2905400 -127.49 285.935 107.313 285.934 132.462 -130.784 107.313 -130.784 187.01 GPRESSURE: 2905400 -100.074 305.036 105.113 180.457 146.761 -117.801 70.8818 -151.974 235.323 PRESSAVG: 2905400 -24.4757 93.3161 16.5512 93.316 18.4242 -22.345 16.5512 -22.345 58.8705 GPRESSAVG: 2905400 -24.8166 93.0776 19.1843 93.7719 18.0269 -21.8336 15.9091 -22.242 59.3284 TIMING: 2905400 CPU: 8419.94, 0.00290353/step Wall: 8419.94, 0.00290353/step, 1.68937 hours remaining, 209.863281 MB of memory in use. ENERGY: 2905400 790.1955 2138.1784 1948.1968 103.6663 -206193.2568 17942.4644 0.0000 0.0000 34214.5592 -149055.9963 298.8043 -183270.5555 -148963.4092 299.1683 63.9939 94.0031 556130.8637 17.6063 17.5129 PRESSURE: 2905600 4.83953 46.6134 77.7385 46.6111 -217.369 -126.482 77.7384 -126.483 -0.823168 GPRESSURE: 2905600 48.2068 69.0117 48.0959 30.2425 -130.345 -106.145 57.1247 -153.222 -31.0344 PRESSAVG: 2905600 13.7945 4.11422 38.8396 4.11421 22.3233 -0.064141 38.8396 -0.064176 21.3328 GPRESSAVG: 2905600 12.8258 2.39793 38.0195 5.59843 23.0444 -1.04653 38.3673 1.68284 21.5857 TIMING: 2905600 CPU: 8420.52, 0.00291919/step Wall: 8420.52, 0.00291919/step, 1.69832 hours remaining, 209.863281 MB of memory in use. ENERGY: 2905600 751.1438 2124.1103 1952.0381 100.8793 -206086.5408 17545.4759 0.0000 0.0000 34475.1028 -149137.7905 301.0796 -183612.8934 -149036.3413 300.3144 -71.1176 -37.7243 555821.1891 19.1502 19.1520 PRESSURE: 2905800 60.4764 -89.1415 111.929 -89.1404 -51.7805 212.79 111.929 212.792 260.908 GPRESSURE: 2905800 75.5477 -132.393 146.962 -94.9319 57.4577 135.041 43.0603 176.389 235.222 PRESSAVG: 2905800 -46.6348 5.24449 32.2759 5.24457 12.4382 21.3245 32.2759 21.3245 -3.17047 GPRESSAVG: 2905800 -46.4678 8.08593 33.2905 4.53166 12.2746 21.8736 32.9859 19.4242 -3.08249 TIMING: 2905800 CPU: 8421.1, 0.00289835/step Wall: 8421.1, 0.00289835/step, 1.68604 hours remaining, 209.863281 MB of memory in use. ENERGY: 2905800 735.9971 2089.5529 1946.7439 111.1835 -206173.2690 17883.7511 0.0000 0.0000 34389.6810 -149016.3595 300.3336 -183406.0405 -148919.8237 299.6807 89.8679 122.7423 557678.9125 -12.4557 -12.4252 PRESSURE: 2906000 6.00471 -27.2164 -72.8575 -27.2152 -141.132 38.2453 -72.8562 38.247 -139.45 GPRESSURE: 2906000 37.5555 50.9252 -148.29 -150.43 -119.346 83.3326 -56.5537 41.0359 -97.3833 PRESSAVG: 2906000 -15.3846 -62.7741 43.7186 -62.774 17.7094 3.76566 43.7187 3.76558 -11.5023 GPRESSAVG: 2906000 -12.9781 -63.1386 40.5872 -64.4382 17.2124 4.61887 44.5903 1.66759 -12.3774 TIMING: 2906000 CPU: 8421.68, 0.00288874/step Wall: 8421.68, 0.00288874/step, 1.68029 hours remaining, 209.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2906000 734.7467 2127.4247 1958.3398 114.9156 -205731.3932 17603.6797 0.0000 0.0000 34180.9960 -149011.2907 298.5111 -183192.2866 -148926.2961 299.4877 -91.5257 -59.7245 557180.5326 -3.0592 -2.7144 PRESSURE: 2906200 116.522 29.218 75.3596 29.2184 -46.9294 -103.188 75.3581 -103.188 -65.4669 GPRESSURE: 2906200 139.151 32.3 67.2567 93.9494 18.7818 -35.4951 92.6202 -53.6629 -56.701 PRESSAVG: 2906200 56.284 0.95561 -4.73945 0.955565 0.504499 29.256 -4.73944 29.2559 -18.7558 GPRESSAVG: 2906200 55.8325 1.67169 -2.03457 2.31806 0.0252402 28.5213 -6.33164 30.9149 -18.2457 TIMING: 2906200 CPU: 8422.26, 0.00289849/step Wall: 8422.26, 0.00289849/step, 1.6858 hours remaining, 209.863281 MB of memory in use. ENERGY: 2906200 740.7419 2149.2174 1931.1127 115.3894 -206043.4971 17718.1802 0.0000 0.0000 34399.6881 -148989.1674 300.4210 -183388.8555 -148894.8428 299.8636 1.3751 33.7438 556061.9239 12.6776 12.5374 PRESSURE: 2906400 -234.72 41.0813 194.954 41.0815 -57.3537 -59.4652 194.954 -59.4657 -291.869 GPRESSURE: 2906400 -196.265 156.384 175.882 26.6807 -109.051 -54.6784 123.481 -101.589 -179.704 PRESSAVG: 2906400 2.21936 -7.94011 12.7672 -7.94016 11.7705 -29.9163 12.7673 -29.9166 -1.46964 GPRESSAVG: 2906400 3.31709 -8.19057 11.1509 -8.45523 10.7518 -30.5192 15.1166 -31.3549 -1.72354 TIMING: 2906400 CPU: 8422.84, 0.00289346/step Wall: 8422.84, 0.00289346/step, 1.68271 hours remaining, 209.863281 MB of memory in use. ENERGY: 2906400 753.3316 2085.3852 1981.2084 115.0885 -205539.3959 17440.5397 0.0000 0.0000 34312.9404 -148850.9021 299.6634 -183163.8426 -148753.9275 299.9955 -194.6474 -161.6733 557851.7324 4.1734 4.1151 PRESSURE: 2906600 141.566 -151.925 -7.28061 -151.925 -261.314 16.4731 -7.2808 16.4732 -276.786 GPRESSURE: 2906600 169.979 -151.568 11.7103 -135.317 -173.522 9.79191 -20.8955 -8.2332 -300.734 PRESSAVG: 2906600 -9.03938 -21.3692 31.3699 -21.3692 -15.5431 7.70525 31.3699 7.70535 -50.0752 GPRESSAVG: 2906600 -9.72337 -23.234 31.7347 -20.1369 -14.0369 8.18897 32.0673 8.57525 -50.8383 TIMING: 2906600 CPU: 8423.41, 0.00288822/step Wall: 8423.41, 0.00288822/step, 1.6795 hours remaining, 209.863281 MB of memory in use. ENERGY: 2906600 754.6427 2035.1109 1938.2857 121.7724 -205972.5390 17775.1741 0.0000 0.0000 34331.8047 -149015.7484 299.8282 -183347.5531 -148924.2499 300.2737 -132.1781 -101.4259 557268.1840 -24.8859 -24.8662 PRESSURE: 2906800 123.165 -39.7475 -48.4518 -39.7471 -163.663 22.8426 -48.4511 22.8455 17.4427 GPRESSURE: 2906800 160.511 -9.20191 6.50717 -33.9888 -162.397 110.805 -47.928 40.7599 59.8981 PRESSAVG: 2906800 36.5837 4.08726 -16.6079 4.08719 32.1597 -15.538 -16.608 -15.5381 -41.7064 GPRESSAVG: 2906800 36.3623 4.32025 -17.1086 3.49728 31.5129 -17.9369 -18.1475 -14.0716 -40.5398 TIMING: 2906800 CPU: 8423.99, 0.00286407/step Wall: 8423.99, 0.00286407/step, 1.6653 hours remaining, 209.863281 MB of memory in use. ENERGY: 2906800 736.3773 2113.8633 1935.9765 116.4701 -206034.5647 17773.8632 0.0000 0.0000 34176.3716 -149181.6427 298.4708 -183358.0143 -149092.1278 299.7440 -7.6853 19.3374 555762.4626 9.0124 9.1118 PRESSURE: 2907000 217.881 -83.5018 -240.765 -83.5004 123.082 128.93 -240.766 128.929 -43.3546 GPRESSURE: 2907000 268.796 -43.2653 -307.703 -23.7542 116.185 75.4248 -231.137 178.162 9.03444 PRESSAVG: 2907000 33.6528 -63.1999 37.7471 -63.1999 -27.6327 24.9478 37.747 24.9478 -21.8042 GPRESSAVG: 2907000 33.0087 -61.5954 38.1439 -64.0213 -27.4081 25.4427 38.1713 23.2512 -21.7172 TIMING: 2907000 CPU: 8424.56, 0.00288994/step Wall: 8424.56, 0.00288994/step, 1.68018 hours remaining, 209.863281 MB of memory in use. ENERGY: 2907000 725.4779 2102.7065 1935.4141 109.1738 -206062.4405 17790.6310 0.0000 0.0000 34318.1124 -149080.9247 299.7086 -183399.0372 -148986.2142 299.6075 99.2026 131.3385 557268.5065 -5.2614 -5.3722 PRESSURE: 2907200 -329.828 152.692 -66.6871 152.691 -271.573 -3.29739 -66.6857 -3.29676 -236.97 GPRESSURE: 2907200 -283.52 77.0208 -150.987 151.479 -265.668 -78.2882 -13.836 100.416 -189.721 PRESSAVG: 2907200 36.1389 15.2425 -10.7247 15.2425 -13.889 56.7554 -10.7246 56.7554 -60.1743 GPRESSAVG: 2907200 35.4267 14.1299 -9.55818 17.717 -13.0167 57.7321 -12.3477 59.4707 -60.2457 TIMING: 2907200 CPU: 8425.14, 0.00288709/step Wall: 8425.14, 0.00288709/step, 1.67836 hours remaining, 209.863281 MB of memory in use. ENERGY: 2907200 766.1959 2096.3059 1985.7401 104.2742 -206118.5587 17668.7516 0.0000 0.0000 34343.0585 -149154.2325 299.9265 -183497.2911 -149060.3982 299.6534 -279.4571 -246.3032 558762.8667 -12.6415 -12.6119 PRESSURE: 2907400 -48.2832 223.023 -272.727 223.023 -64.8088 44.2145 -272.727 44.2159 -195.94 GPRESSURE: 2907400 -6.64204 213.25 -194.479 216.988 -88.7533 26.597 -292.242 122.808 -131.52 PRESSAVG: 2907400 28.4313 63.4333 -34.2652 63.4333 -40.6532 -15.7304 -34.2651 -15.7304 -37.2483 GPRESSAVG: 2907400 28.7762 62.3614 -34.0203 62.7724 -41.9199 -14.0078 -36.1108 -18.3883 -36.9643 TIMING: 2907400 CPU: 8425.72, 0.00289714/step Wall: 8425.72, 0.00289714/step, 1.68404 hours remaining, 209.917969 MB of memory in use. ENERGY: 2907400 757.7753 2094.3489 1971.0598 101.8247 -205915.2654 17659.7896 0.0000 0.0000 34322.2039 -149008.2632 299.7443 -183330.4671 -148911.3310 300.0801 -103.0106 -75.6385 558981.2977 -16.4901 -16.7027 PRESSURE: 2907600 117.364 -201.362 29.0208 -201.362 -194.349 -70.8765 29.0199 -70.8771 5.9479 GPRESSURE: 2907600 100.051 -178.583 -89.5249 -112.836 -140.431 -76.4057 9.28399 -36.6149 66.2405 PRESSAVG: 2907600 52.9361 -2.45102 -10.7051 -2.45106 -37.7676 24.4823 -10.7051 24.4822 -24.9283 GPRESSAVG: 2907600 54.522 0.66996 -13.4066 -4.35379 -37.8625 25.8398 -8.50707 23.5329 -26.0734 TIMING: 2907600 CPU: 8426.31, 0.00292107/step Wall: 8426.31, 0.00292107/step, 1.69779 hours remaining, 209.917969 MB of memory in use. ENERGY: 2907600 723.0725 2131.8918 1948.5017 106.6542 -206114.5947 17762.8664 0.0000 0.0000 34226.2287 -149215.3793 298.9062 -183441.6080 -149121.9048 299.5264 -23.6790 8.6201 557547.6176 -3.2533 -3.1380 PRESSURE: 2907800 85.4157 -171.569 -52.0779 -171.57 -162.457 95.3095 -52.0794 95.3102 186.355 GPRESSURE: 2907800 87.524 -203.193 -68.3873 -148.117 -119.7 44.1149 -69.6281 103.497 231.934 PRESSAVG: 2907800 20.8121 1.11126 28.7886 1.11122 4.91075 -27.6633 28.7886 -27.6634 -0.252649 GPRESSAVG: 2907800 19.7404 -0.735474 29.7778 2.4673 4.27314 -29.968 28.246 -26.3683 1.39632 TIMING: 2907800 CPU: 8426.89, 0.00291191/step Wall: 8426.89, 0.0029119/step, 1.6923 hours remaining, 209.917969 MB of memory in use. ENERGY: 2907800 732.6178 2117.8381 1951.9714 98.5768 -206391.0065 18083.8232 0.0000 0.0000 34050.5983 -149355.5808 297.3723 -183406.1791 -149260.3883 299.0515 36.4379 66.5858 559145.0595 8.4901 8.4700 PRESSURE: 2908000 -125.574 -102.788 77.7347 -102.788 15.9874 115.298 77.7342 115.296 -20.051 GPRESSURE: 2908000 -59.4156 -97.6412 75.709 -141.972 28.1411 93.2283 43.1448 83.2745 -6.0577 PRESSAVG: 2908000 -54.1047 -1.06892 -41.0203 -1.06901 -20.2036 8.0266 -41.0203 8.02655 42.2979 GPRESSAVG: 2908000 -52.705 1.51842 -41.1875 -3.16449 -20.5111 7.34646 -40.7848 8.33909 41.4605 TIMING: 2908000 CPU: 8427.47, 0.00292437/step Wall: 8427.47, 0.00292437/step, 1.69939 hours remaining, 209.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2908000 768.6528 2063.4020 1953.6212 125.1176 -206424.1358 17917.2550 0.0000 0.0000 34070.4309 -149525.6563 297.5455 -183596.0872 -149434.9272 298.1962 -43.2125 -12.4441 558199.4152 -10.6701 -10.5852 PRESSURE: 2908200 -58.3254 -182.717 -105.945 -182.717 -106.225 15.8858 -105.946 15.8867 97.7535 GPRESSURE: 2908200 -5.06043 -136.861 -75.2797 -220.353 -81.5346 44.68 -89.8079 -42.5426 118.38 PRESSAVG: 2908200 45.2824 -6.90709 -2.64696 -6.90713 -35.6032 33.3654 -2.64697 33.3653 -19.6721 GPRESSAVG: 2908200 43.2135 -11.3478 -3.13397 -2.80445 -33.4759 35.3375 -1.96154 34.1785 -19.9745 TIMING: 2908200 CPU: 8428.06, 0.0029129/step Wall: 8428.06, 0.0029129/step, 1.69256 hours remaining, 209.917969 MB of memory in use. ENERGY: 2908200 743.9529 2048.9208 1941.5460 103.9943 -206069.5594 17867.3234 0.0000 0.0000 33868.0967 -149495.7253 295.7785 -183363.8220 -149398.8672 298.2979 -22.2657 10.5949 558883.9055 -3.3309 -3.4123 LDB: ============= START OF LOAD BALANCING ============== 8431.44 LDB: ============== END OF LOAD BALANCING =============== 8431.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8431.44 LDB: ============= START OF LOAD BALANCING ============== 8431.73 LDB: Largest compute 4800 load 0.024902 is 21.1% of average load 0.117910 LDB: Average compute 0.001755 is 1.5% of average load 0.117910 LDB: TIME 8431.74 LOAD: AVG 0.11791 MAX 0.181994 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.004 MB LDB: TIME 8431.74 LOAD: AVG 0.11791 MAX 0.181994 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.004 MB LDB: TIME 8431.74 LOAD: AVG 0.11791 MAX 0.181994 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.004 MB LDB: ============== END OF LOAD BALANCING =============== 8431.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8431.74 PRESSURE: 2908400 -118.285 -78.9857 16.102 -78.9873 151.686 -53.3142 16.1008 -53.3146 -84.5751 GPRESSURE: 2908400 -63.2161 -137.347 -6.75894 -126.117 159.011 -27.6598 39.1132 -131.353 -48.9206 PRESSAVG: 2908400 -13.6143 -32.5577 26.9514 -32.5577 48.6635 -26.0509 26.9514 -26.051 -34.3134 GPRESSAVG: 2908400 -13.2888 -28.6258 29.3607 -33.5518 48.0833 -26.7654 26.7268 -28.5603 -34.532 TIMING: 2908400 CPU: 8428.65, 0.00295668/step Wall: 8428.65, 0.00295668/step, 1.71783 hours remaining, 208.800781 MB of memory in use. ENERGY: 2908400 767.7698 2052.5948 1952.0191 108.3879 -206676.9909 18001.6765 0.0000 0.0000 34322.4603 -149472.0824 299.7466 -183794.5428 -149377.3463 298.3477 -17.0583 15.6247 558194.3996 0.2453 0.0875 PRESSURE: 2908600 225.712 -19.5805 9.18762 -19.5804 -147.152 -61.297 9.18899 -61.2963 -20.8382 GPRESSURE: 2908600 284.928 27.6793 52.6112 -10.4007 -82.2779 -17.8982 -10.3737 -21.8184 -44.9725 PRESSAVG: 2908600 102.866 -40.0857 -13.5466 -40.0858 31.5216 -0.924995 -13.5466 -0.925 -76.3361 GPRESSAVG: 2908600 103.261 -40.3101 -15.5469 -40.8675 30.267 -0.242519 -11.8632 0.110644 -75.3345 TIMING: 2908600 CPU: 8429.22, 0.00287716/step Wall: 8429.22, 0.00287716/step, 1.67147 hours remaining, 208.800781 MB of memory in use. ENERGY: 2908600 740.7790 2048.5995 1949.8360 107.8395 -206533.6159 17985.3553 0.0000 0.0000 34293.3535 -149407.8531 299.4924 -183701.2066 -149309.7519 299.5319 19.2408 52.5590 557294.2182 19.3504 19.3980 PRESSURE: 2908800 289.288 -14.249 -309.175 -14.2497 153.013 -68.1374 -309.177 -68.1376 19.9733 GPRESSURE: 2908800 263.088 56.1942 -340.472 -66.5854 214.527 -16.9982 -289.922 -60.8839 76.5326 PRESSAVG: 2908800 31.601 -22.0665 33.634 -22.0664 85.8926 0.50509 33.6341 0.505097 -97.5483 GPRESSAVG: 2908800 31.2122 -22.7436 32.6675 -21.6562 87.1556 -0.218536 33.4658 0.633052 -98.5714 TIMING: 2908800 CPU: 8429.8, 0.00287778/step Wall: 8429.8, 0.00287778/step, 1.67167 hours remaining, 208.800781 MB of memory in use. ENERGY: 2908800 751.7733 2103.3681 1937.0174 106.5370 -206827.7487 18242.5113 0.0000 0.0000 34244.9622 -149441.5792 299.0698 -183686.5414 -149342.2357 299.0009 154.0916 184.7158 557849.0658 6.6484 6.5988 PRESSURE: 2909000 -34.8053 -15.9363 -17.5426 -15.9361 -11.0524 113.125 -17.5431 113.124 208.787 GPRESSURE: 2909000 -9.55762 -138.75 -17.9797 7.29544 36.8071 22.3993 -20.1162 135.312 222.454 PRESSAVG: 2909000 13.3741 -22.6493 -45.2101 -22.6493 41.5564 51.2295 -45.2101 51.2294 -47.3273 GPRESSAVG: 2909000 13.406 -22.9539 -43.9873 -22.5192 41.8697 48.221 -46.3962 52.4933 -47.7874 TIMING: 2909000 CPU: 8430.37, 0.00287731/step Wall: 8430.37, 0.00287731/step, 1.67124 hours remaining, 208.800781 MB of memory in use. ENERGY: 2909000 734.5656 2066.6297 1968.7243 110.2955 -206292.3918 17802.0414 0.0000 0.0000 34312.8625 -149297.2727 299.6628 -183610.1352 -149197.0421 298.6742 54.3098 83.2344 557900.9941 2.5344 2.4961 PRESSURE: 2909200 25.5379 -9.16518 -103.838 -9.16596 302.54 14.1854 -103.837 14.1854 9.56236 GPRESSURE: 2909200 114.235 -76.1812 -70.0177 95.4485 278.287 73.1681 -152.999 86.359 43.2579 PRESSAVG: 2909200 24.6997 0.308498 -45.9542 0.308555 15.1514 11.4507 -45.9542 11.4505 -26.6838 GPRESSAVG: 2909200 24.8963 1.89335 -45.9055 -2.90998 14.2827 14.9553 -46.254 11.58 -26.2829 TIMING: 2909200 CPU: 8430.95, 0.00288996/step Wall: 8430.95, 0.00288996/step, 1.67842 hours remaining, 208.800781 MB of memory in use. ENERGY: 2909200 730.2614 2099.4914 1976.1922 116.2407 -206318.2079 17861.5792 0.0000 0.0000 34239.8857 -149294.5574 299.0254 -183534.4430 -149204.2502 299.2884 112.5469 145.2602 557618.0628 4.3891 4.2987 PRESSURE: 2909400 145.882 118.749 105.359 118.748 10.9392 -177.793 105.359 -177.794 -214.29 GPRESSURE: 2909400 157.956 87.9431 138.327 118.527 -7.7209 -221.13 47.0695 -160.373 -117.783 PRESSAVG: 2909400 64.4817 10.9401 -5.51285 10.9401 -57.0054 9.07171 -5.51277 9.07165 -8.90561 GPRESSAVG: 2909400 65.7666 9.72405 -4.45847 13.9045 -57.0263 7.69813 -5.02232 7.84087 -10.2733 TIMING: 2909400 CPU: 8431.53, 0.00289926/step Wall: 8431.53, 0.00289926/step, 1.68367 hours remaining, 208.800781 MB of memory in use. ENERGY: 2909400 716.5063 2055.3233 1970.6895 117.8902 -206242.7256 17776.1561 0.0000 0.0000 34200.2770 -149405.8831 298.6795 -183606.1602 -149311.1426 299.1028 -19.1563 10.8173 557180.9640 -0.4764 -0.5110 PRESSURE: 2909600 -142.507 -89.1469 -69.8201 -89.1477 -6.43848 86.8821 -69.8206 86.8843 -203.788 GPRESSURE: 2909600 -80.6525 3.58766 17.8305 -175.285 30.1443 114.41 -40.086 134.428 -203.54 PRESSAVG: 2909600 29.4211 -12.4443 -21.4118 -12.4444 -6.209 -17.9921 -21.4118 -17.9921 -25.4484 GPRESSAVG: 2909600 28.8607 -12.4246 -23.0806 -13.5655 -6.66966 -19.5483 -21.0459 -17.2657 -24.8172 TIMING: 2909600 CPU: 8432.11, 0.00289344/step Wall: 8432.11, 0.00289344/step, 1.68012 hours remaining, 208.800781 MB of memory in use. ENERGY: 2909600 757.0861 2050.1290 1962.6340 112.5168 -206145.3120 17730.7919 0.0000 0.0000 34079.4075 -149452.7468 297.6239 -183532.1542 -149363.1401 298.8171 -117.5778 -84.6829 558610.4814 -0.7455 -0.8754 PRESSURE: 2909800 -95.7942 -54.3788 -35.319 -54.3781 44.9261 -90.3901 -35.3201 -90.3915 -316.661 GPRESSURE: 2909800 -140.57 -8.39943 -49.9459 -74.9118 62.9525 -21.8732 -59.1536 -76.0267 -192.522 PRESSAVG: 2909800 -29.337 3.98027 8.18748 3.98032 36.311 -29.7728 8.18747 -29.7728 -7.36215 GPRESSAVG: 2909800 -30.084 0.995498 10.7411 6.71347 37.7047 -26.2048 6.42197 -29.6886 -7.36195 TIMING: 2909800 CPU: 8432.69, 0.00288109/step Wall: 8432.69, 0.00288109/step, 1.67279 hours remaining, 208.800781 MB of memory in use. ENERGY: 2909800 778.6068 2044.9558 1930.9399 111.4672 -206186.0585 17749.5340 0.0000 0.0000 34029.5372 -149541.0176 297.1884 -183570.5548 -149439.1154 298.6816 -122.5097 -90.0465 558324.2319 -0.1294 0.0863 PRESSURE: 2910000 140.821 -71.3505 -75.0892 -71.3511 24.2504 -262.128 -75.0889 -262.128 46.9501 GPRESSURE: 2910000 137.794 -105.425 -57.1109 -68.6062 85.3909 -329.733 -7.36315 -223.578 81.9248 PRESSAVG: 2910000 -4.17565 0.70209 -55.0674 0.702063 39.0357 -25.0796 -55.0674 -25.0795 -4.91979 GPRESSAVG: 2910000 -3.84202 1.36833 -57.4535 1.54997 38.3464 -28.5595 -53.639 -24.4057 -4.64436 TIMING: 2910000 CPU: 8433.26, 0.00287372/step Wall: 8433.26, 0.00287372/step, 1.66835 hours remaining, 208.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2910000 752.5323 2049.4160 1949.8419 101.8163 -206828.3748 18069.4871 0.0000 0.0000 34238.3764 -149666.9048 299.0123 -183905.2812 -149573.4056 298.0887 70.6740 101.7032 557160.3467 9.9801 9.9533 PRESSURE: 2910200 -78.0373 5.19049 54.491 5.19095 -194.94 44.1271 54.4918 44.1281 -151.045 GPRESSURE: 2910200 -86.4058 -46.4687 105.968 -44.6984 -148.845 -14.345 -25.168 144.381 -88.2937 PRESSAVG: 2910200 39.2563 13.0555 7.05463 13.0555 -33.0504 -31.4618 7.05464 -31.4617 5.09021 GPRESSAVG: 2910200 39.4562 14.9202 9.74687 9.41981 -31.7895 -28.955 4.7136 -33.5579 4.09493 TIMING: 2910200 CPU: 8433.84, 0.00287659/step Wall: 8433.84, 0.00287659/step, 1.66986 hours remaining, 208.800781 MB of memory in use. ENERGY: 2910200 684.6830 2075.6360 1925.3290 120.7812 -206033.2038 17571.8412 0.0000 0.0000 33976.8766 -149678.0568 296.7285 -183654.9334 -149580.8987 298.4279 -141.3407 -107.8481 557206.9036 3.7654 3.9205 PRESSURE: 2910400 -227.985 46.2829 -12.8631 46.2835 -236.208 43.5609 -12.8642 43.5622 -57.1797 GPRESSURE: 2910400 -241.214 67.7996 24.3396 6.2018 -153.167 2.40791 14.9661 47.7296 -15.372 PRESSAVG: 2910400 -47.6467 16.8309 3.99889 16.8309 26.9629 10.9073 3.99887 10.9072 -13.9373 GPRESSAVG: 2910400 -47.23 16.0664 1.85004 19.1354 25.0812 10.6604 6.27479 10.7965 -12.642 TIMING: 2910400 CPU: 8434.41, 0.00288857/step Wall: 8434.41, 0.00288857/step, 1.67665 hours remaining, 208.800781 MB of memory in use. ENERGY: 2910400 741.4222 2013.6432 1966.8896 128.6033 -206575.8182 17701.9476 0.0000 0.0000 34340.6297 -149682.6825 299.9053 -184023.3123 -149579.8617 298.0647 -173.7908 -136.5844 558328.6013 -11.5403 -11.5969 PRESSURE: 2910600 127.559 -226.079 -3.28734 -226.081 53.0423 125.396 -3.28743 125.395 334.52 GPRESSURE: 2910600 101.122 -220.833 -35.198 -212.099 85.7593 115.403 12.8235 3.45076 420.692 PRESSAVG: 2910600 33.6487 -60.5536 73.7336 -60.5536 -30.2439 15.4763 73.7337 15.4763 24.465 GPRESSAVG: 2910600 33.793 -59.7508 76.741 -62.1 -28.5729 15.191 70.5532 14.6234 22.7689 TIMING: 2910600 CPU: 8434.99, 0.00290379/step Wall: 8434.99, 0.00290379/step, 1.68533 hours remaining, 209.000000 MB of memory in use. ENERGY: 2910600 704.0961 2054.6844 1933.4561 114.0175 -206502.5662 18095.4980 0.0000 0.0000 34068.5058 -149532.3084 297.5287 -183600.8141 -149443.4942 297.9003 171.7074 202.5243 557765.9312 9.2899 9.3297 PRESSURE: 2910800 282.958 -114.728 -38.9017 -114.728 -80.3753 77.7935 -38.9005 77.7949 -172.981 GPRESSURE: 2910800 277.697 -132.413 -3.59268 -148.466 -15.2583 41.7913 23.3906 149.759 -129.675 PRESSAVG: 2910800 74.9852 -7.94868 -29.1252 -7.94864 -0.806304 30.4081 -29.1252 30.4081 -47.9021 GPRESSAVG: 2910800 75.5843 -6.57762 -32.0078 -7.31758 -2.41039 31.2432 -26.2457 32.225 -46.6772 TIMING: 2910800 CPU: 8435.57, 0.00289179/step Wall: 8435.57, 0.00289179/step, 1.6782 hours remaining, 209.000000 MB of memory in use. ENERGY: 2910800 700.8648 2096.5691 1946.7860 111.1250 -206273.2549 17767.7634 0.0000 0.0000 34210.6543 -149439.4923 298.7702 -183650.1466 -149340.8239 298.7344 9.8672 44.2545 556850.1711 8.7590 8.8322 PRESSURE: 2911000 -10.4033 127.244 29.2613 127.244 -166.27 47.3118 29.2607 47.3136 -72.4703 GPRESSURE: 2911000 11.8158 159.766 23.4067 117.848 -105.545 65.5387 -5.87354 -24.3168 -55.1989 PRESSAVG: 2911000 -44.9243 51.5746 53.4703 51.5746 53.7211 32.6557 53.4704 32.6555 -9.58672 GPRESSAVG: 2911000 -45.653 48.7581 54.2725 53.05 52.9084 31.8595 50.4608 30.002 -8.12178 TIMING: 2911000 CPU: 8436.15, 0.00289099/step Wall: 8436.15, 0.002891/step, 1.67758 hours remaining, 209.000000 MB of memory in use. ENERGY: 2911000 724.6116 2079.7099 1961.3676 104.1031 -206333.1112 17744.4602 0.0000 0.0000 34312.9073 -149405.9515 299.6632 -183718.8588 -149307.9713 298.3605 -83.0480 -49.6427 557260.1238 -0.2633 -0.2888 PRESSURE: 2911200 145.803 -118.651 -78.9922 -118.651 50.0339 169.222 -78.9915 169.22 -30.7357 GPRESSURE: 2911200 157.946 -72.0068 -30.7502 -105.934 108.084 239.913 -88.1058 46.2401 9.85612 PRESSAVG: 2911200 93.9083 -40.9622 33.4815 -40.9623 -69.1405 -4.7393 33.4815 -4.7394 -39.6046 GPRESSAVG: 2911200 93.3811 -43.325 34.3227 -40.4745 -68.2871 -3.646 35.8743 -3.38291 -40.211 TIMING: 2911200 CPU: 8436.73, 0.00288617/step Wall: 8436.73, 0.00288617/step, 1.67462 hours remaining, 209.000000 MB of memory in use. ENERGY: 2911200 705.0378 2047.6730 1961.2484 122.0714 -206288.4481 17774.3512 0.0000 0.0000 34329.9409 -149348.1255 299.8119 -183678.0664 -149258.0876 298.6643 55.0337 91.9619 556796.0518 -4.9456 -5.0390 PRESSURE: 2911400 -32.4056 -104.777 56.7256 -104.777 -153.419 -79.1179 56.7271 -79.1201 -215.401 GPRESSURE: 2911400 -9.29223 -79.8176 115.932 -83.5297 -83.3094 -136.417 11.5363 -10.1136 -217.402 PRESSAVG: 2911400 60.759 -67.2037 9.64691 -67.2036 74.2719 -22.4264 9.64686 -22.4264 -143.568 GPRESSAVG: 2911400 61.1861 -64.1328 8.10585 -66.8741 74.3075 -22.1383 9.7837 -22.8248 -144.691 TIMING: 2911400 CPU: 8437.31, 0.00290442/step Wall: 8437.31, 0.00290442/step, 1.68505 hours remaining, 209.000000 MB of memory in use. ENERGY: 2911400 758.8757 2029.2147 1947.8435 102.7074 -206245.9885 17767.2528 0.0000 0.0000 34410.2426 -149229.8519 300.5132 -183640.0945 -149133.1086 298.9104 -133.7417 -103.3344 557060.2355 -2.8458 -3.0658 PRESSURE: 2911600 103.646 81.5221 -106.079 81.5209 74.459 161.245 -106.08 161.243 -8.04541 GPRESSURE: 2911600 126.83 76.3764 -109.708 37.7871 98.3095 230.062 -181.014 101.908 21.7923 PRESSAVG: 2911600 21.8619 4.22623 -15.7916 4.22618 16.191 2.48355 -15.7915 2.48354 -13.0872 GPRESSAVG: 2911600 22.0739 4.69274 -15.4648 3.06051 15.2506 4.16771 -14.6342 3.17734 -12.5014 TIMING: 2911600 CPU: 8437.89, 0.00290002/step Wall: 8437.89, 0.00290001/step, 1.68233 hours remaining, 209.000000 MB of memory in use. ENERGY: 2911600 730.5629 2085.2484 1943.9329 127.1784 -206225.7691 17898.5650 0.0000 0.0000 34451.2754 -148989.0060 300.8716 -183440.2815 -148892.2642 299.8975 56.6865 82.3105 557581.6139 8.3219 8.2744 PRESSURE: 2911800 -266.724 98.791 -144.251 98.7913 57.0623 -28.0091 -144.25 -28.0101 -221.297 GPRESSURE: 2911800 -265.062 124.501 -80.9151 137.278 115.65 -27.4863 -129.013 -8.04147 -193.41 PRESSAVG: 2911800 35.7361 -0.166385 0.862787 -0.166385 -33.445 50.4901 0.862734 50.4901 -21.2179 GPRESSAVG: 2911800 36.161 0.830269 0.926095 0.647641 -32.458 46.8507 1.16477 50.0873 -21.9676 TIMING: 2911800 CPU: 8438.47, 0.00290336/step Wall: 8438.47, 0.00290336/step, 1.68411 hours remaining, 209.000000 MB of memory in use. ENERGY: 2911800 765.5932 2115.5469 1977.8867 112.5484 -205777.8452 17583.6062 0.0000 0.0000 34348.6156 -148874.0482 299.9750 -183222.6638 -148783.1304 300.3407 -143.6531 -114.2739 557317.9879 -6.3089 -6.0882 PRESSURE: 2912000 -76.6753 -39.328 -172.515 -39.3275 -4.29321 -15.5493 -172.515 -15.5496 -144.957 GPRESSURE: 2912000 -37.9645 -131.94 -171.347 -19.5899 17.5316 -16.0021 -217.97 -49.2212 -107.856 PRESSAVG: 2912000 12.9 25.4105 -15.1172 25.4104 -19.38 -15.2546 -15.1172 -15.2546 31.7995 GPRESSAVG: 2912000 11.5242 24.4271 -16.7746 24.6069 -18.323 -13.601 -15.405 -15.2808 32.4311 TIMING: 2912000 CPU: 8439.05, 0.00290098/step Wall: 8439.05, 0.00290098/step, 1.68257 hours remaining, 209.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2912000 761.6559 2069.3358 1953.9175 115.7248 -206196.8218 17765.4226 0.0000 0.0000 34375.1586 -149155.6066 300.2068 -183530.7652 -149058.5379 300.3220 -75.3083 -42.7629 556840.5478 8.4398 8.5441 PRESSURE: 2912200 -19.9085 -10.4023 52.5373 -10.4013 -150.918 -140.448 52.5359 -140.449 117.117 GPRESSURE: 2912200 -8.43418 -26.2398 37.6948 5.51691 -164.871 -179.386 31.5105 -213.101 219.436 PRESSAVG: 2912200 -31.4982 30.1562 13.9626 30.1563 9.4967 26.3077 13.9627 26.3078 -21.682 GPRESSAVG: 2912200 -30.3657 29.701 17.8581 30.0909 8.79938 28.4313 12.5664 26.662 -21.7212 TIMING: 2912200 CPU: 8439.63, 0.00288825/step Wall: 8439.63, 0.00288825/step, 1.67503 hours remaining, 209.000000 MB of memory in use. ENERGY: 2912200 751.5860 2114.6158 1946.6315 109.3879 -206137.8743 17620.8443 0.0000 0.0000 34309.3562 -149285.4525 299.6321 -183594.8087 -149191.0676 299.2960 -17.9031 15.3769 556143.4820 -14.5612 -14.4292 LDB: ============= START OF LOAD BALANCING ============== 8443.01 LDB: ============== END OF LOAD BALANCING =============== 8443.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8443.02 LDB: ============= START OF LOAD BALANCING ============== 8443.31 LDB: Largest compute 4800 load 0.025320 is 21.5% of average load 0.118015 LDB: Average compute 0.001753 is 1.5% of average load 0.118015 LDB: TIME 8443.31 LOAD: AVG 0.118015 MAX 0.181437 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.09 MB LDB: TIME 8443.31 LOAD: AVG 0.118015 MAX 0.181437 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 8443.31 LOAD: AVG 0.118015 MAX 0.181437 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8443.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8443.32 PRESSURE: 2912400 78.3614 -16.2036 34.6759 -16.2054 62.0917 -76.7291 34.677 -76.7307 46.1385 GPRESSURE: 2912400 53.553 -18.2403 -8.92079 -74.8685 159.699 -121.131 74.5456 -117.273 58.3373 PRESSAVG: 2912400 -32.4239 18.4581 -12.1243 18.4582 76.6173 -31.5304 -12.1244 -31.5304 25.7083 GPRESSAVG: 2912400 -33.4239 15.674 -12.3423 18.1104 77.2723 -35.3273 -11.1137 -32.2377 25.5832 TIMING: 2912400 CPU: 8440.22, 0.00297735/step Wall: 8440.22, 0.00297735/step, 1.72653 hours remaining, 207.320312 MB of memory in use. ENERGY: 2912400 733.7908 2114.2669 1957.8970 116.1275 -206202.7859 17789.8064 0.0000 0.0000 34273.5288 -149217.3685 299.3193 -183490.8973 -149119.6822 298.9923 62.1972 90.5299 555341.6474 23.3006 23.1439 PRESSURE: 2912600 -35.2956 -24.9771 97.089 -24.9785 -172.704 70.4937 97.0885 70.4926 -212.338 GPRESSURE: 2912600 -86.716 18.5863 61.6362 43.874 -138.258 -32.5367 30.274 89.7955 -106.742 PRESSAVG: 2912600 42.4241 9.03136 -76.2454 9.03134 3.71439 17.6925 -76.2453 17.6925 -36.0677 GPRESSAVG: 2912600 42.7342 13.6467 -76.4144 10.0505 3.44682 19.7625 -77.8376 17.5045 -36.4516 TIMING: 2912600 CPU: 8440.81, 0.00290929/step Wall: 8440.81, 0.00290929/step, 1.6869 hours remaining, 207.320312 MB of memory in use. ENERGY: 2912600 768.9389 2127.0307 1999.3573 132.2747 -206065.8310 17673.6471 0.0000 0.0000 34297.5090 -149067.0732 299.5287 -183364.5822 -148965.3900 299.5951 -140.1125 -110.5722 557108.9487 3.3569 3.2431 PRESSURE: 2912800 227.215 23.6734 -21.5515 23.6736 -69.3825 74.7379 -21.552 74.7377 63.3508 GPRESSURE: 2912800 250.335 28.3569 -67.3157 87.7876 -18.6871 7.85622 -42.7706 140.133 79.1863 PRESSAVG: 2912800 2.9937 13.2378 35.0131 13.2378 -7.44355 1.06425 35.0132 1.06413 7.25312 GPRESSAVG: 2912800 3.37854 11.3061 36.0223 11.767 -7.78048 2.17271 36.6244 1.10471 7.46141 TIMING: 2912800 CPU: 8441.39, 0.00290132/step Wall: 8441.39, 0.00290132/step, 1.68212 hours remaining, 207.320312 MB of memory in use. ENERGY: 2912800 708.5286 2138.2016 1925.5826 111.6096 -206037.6711 17779.8962 0.0000 0.0000 34248.7304 -149125.1221 299.1027 -183373.8525 -149027.5092 299.2124 73.7279 103.6116 556988.0862 0.9344 1.0198 PRESSURE: 2913000 17.3152 122.417 0.680705 122.417 11.6039 84.3173 0.678667 84.3162 -71.1368 GPRESSURE: 2913000 39.1877 114.758 -32.7192 77.1671 59.1463 67.8261 84.917 66.0269 -55.9261 PRESSAVG: 2913000 43.7382 20.963 -31.8427 20.963 -90.5064 51.9832 -31.8427 51.9833 -1.27122 GPRESSAVG: 2913000 44.5649 21.0512 -30.3072 20.1924 -90.6318 49.8592 -32.0501 53.486 -1.75561 TIMING: 2913000 CPU: 8441.97, 0.00290838/step Wall: 8441.97, 0.00290838/step, 1.68605 hours remaining, 207.320312 MB of memory in use. ENERGY: 2913000 758.2778 2116.2536 1920.4622 104.7047 -205947.2106 17621.7954 0.0000 0.0000 34384.5303 -149041.1866 300.2887 -183425.7169 -148946.4079 299.8399 -14.0726 14.1360 556345.0139 -16.0131 -15.9408 PRESSURE: 2913200 89.2778 96.8096 42.0757 96.811 26.353 -89.4108 42.0761 -89.4113 37.3522 GPRESSURE: 2913200 101.733 178.826 33.7281 110.988 61.762 -158.459 133.202 -8.70676 88.5629 PRESSAVG: 2913200 4.06152 11.4942 -7.05186 11.4942 -44.0526 -6.90249 -7.05187 -6.90248 13.5706 GPRESSAVG: 2913200 3.32002 10.9788 -9.00418 12.8755 -44.1906 -7.131 -6.90146 -8.04113 13.7747 TIMING: 2913200 CPU: 8442.55, 0.00290597/step Wall: 8442.55, 0.00290597/step, 1.68449 hours remaining, 207.320312 MB of memory in use. ENERGY: 2913200 738.0207 2105.4052 1957.2152 106.2928 -205917.2838 17819.8087 0.0000 0.0000 33996.2616 -149194.2795 296.8978 -183190.5412 -149102.3640 299.7874 50.9943 84.0193 558008.0645 -8.8069 -9.0320 PRESSURE: 2913400 -101.744 -53.3696 -47.8843 -53.3698 -43.7295 -224.225 -47.8844 -224.225 -137.831 GPRESSURE: 2913400 -67.7698 -22.1607 -82.9172 -31.8897 1.84127 -201.396 -70.7506 -204.673 -138.186 PRESSAVG: 2913400 41.642 16.8985 -4.57275 16.8984 0.612237 -21.2834 -4.57267 -21.2834 -7.92613 GPRESSAVG: 2913400 42.8589 16.9653 -4.59668 16.0649 0.92236 -20.7637 -5.65617 -21.6909 -9.10282 TIMING: 2913400 CPU: 8443.13, 0.00290867/step Wall: 8443.13, 0.00290867/step, 1.6859 hours remaining, 207.320312 MB of memory in use. ENERGY: 2913400 776.0692 2096.9434 1971.7277 107.5925 -206321.5303 17786.6452 0.0000 0.0000 34394.8910 -149187.6615 300.3791 -183582.5525 -149093.1890 299.4272 -94.4348 -68.0382 556478.3197 11.4427 11.5595 PRESSURE: 2913600 -102.878 55.6099 52.7358 55.6093 4.41396 107.876 52.7359 107.876 -147.165 GPRESSURE: 2913600 -79.7973 138.848 -71.0917 66.7013 38.2179 98.1664 87.6337 146.536 -121.441 PRESSAVG: 2913600 -0.543577 -29.1561 0.0491109 -29.1562 21.2809 -15.1106 0.0491166 -15.1106 -36.0205 GPRESSAVG: 2913600 -2.2789 -30.3662 -1.61268 -27.8965 20.2517 -12.9223 1.90047 -15.8698 -33.7238 TIMING: 2913600 CPU: 8443.71, 0.00288821/step Wall: 8443.71, 0.00288821/step, 1.67388 hours remaining, 207.320312 MB of memory in use. ENERGY: 2913600 738.6242 2054.3340 1981.7591 98.4398 -206082.5225 17873.4808 0.0000 0.0000 34172.6818 -149163.2028 298.4385 -183335.8846 -149069.5551 299.5966 -81.8762 -54.3402 558077.1691 -5.0944 -5.2503 PRESSURE: 2913800 51.9765 -138.545 107.232 -138.544 61.7097 38.6375 107.231 38.6372 -34.4276 GPRESSURE: 2913800 93.3874 -169.767 90.6632 -88.9521 108.276 -28.6636 64.0342 37.3232 -18.8015 PRESSAVG: 2913800 16.4191 -19.4469 19.8059 -19.4468 12.1138 -31.0045 19.8059 -31.0045 -58.9656 GPRESSAVG: 2913800 17.0394 -18.0898 19.8107 -21.5386 12.7367 -33.3501 19.5511 -27.7333 -59.9863 TIMING: 2913800 CPU: 8444.29, 0.00288797/step Wall: 8444.29, 0.00288797/step, 1.67358 hours remaining, 207.320312 MB of memory in use. ENERGY: 2913800 725.3698 2099.8507 1977.2220 111.3301 -206258.8077 18021.0618 0.0000 0.0000 33974.7013 -149349.2720 296.7095 -183323.9733 -149250.7213 298.9301 26.4195 60.9540 557881.8445 -10.1442 -10.0701 PRESSURE: 2914000 -298.05 -76.1298 118.81 -76.1294 -179.633 -115.913 118.808 -115.914 95.76 GPRESSURE: 2914000 -252.1 -131.997 145.633 -6.79702 -131.759 -144.146 89.3369 -103.662 99.4879 PRESSAVG: 2914000 50.6195 -55.8534 -8.55019 -55.8534 -27.6293 -43.5046 -8.55022 -43.5046 -31.171 GPRESSAVG: 2914000 49.6666 -57.9254 -6.89765 -53.7641 -27.0961 -42.2285 -9.11862 -44.8704 -30.4258 TIMING: 2914000 CPU: 8444.87, 0.00290942/step Wall: 8444.87, 0.00290942/step, 1.68584 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2914000 778.3442 2083.1556 1966.5816 110.0937 -206161.3903 17689.4269 0.0000 0.0000 34115.5025 -149418.2858 297.9392 -183533.7883 -149324.2394 298.1599 -127.3078 -94.7904 556861.2353 -2.7269 -2.6185 PRESSURE: 2914200 163.157 7.45809 109.843 7.4581 136.247 130.042 109.843 130.041 6.56262 GPRESSURE: 2914200 186.36 -34.6276 121.973 -1.34792 168.241 128.094 107.966 35.2041 57.2805 PRESSAVG: 2914200 23.9581 -3.7124 33.6363 -3.71245 -29.5723 9.83494 33.6364 9.83494 -3.17908 GPRESSAVG: 2914200 25.2006 -2.64399 31.7985 -3.48552 -30.0063 8.74475 33.1633 10.4362 -3.86419 TIMING: 2914200 CPU: 8445.45, 0.00289755/step Wall: 8445.45, 0.00289755/step, 1.67881 hours remaining, 207.320312 MB of memory in use. ENERGY: 2914200 743.9222 2094.4047 1944.6495 120.9285 -206805.6109 18142.9325 0.0000 0.0000 34206.2100 -149552.5635 298.7313 -183758.7735 -149454.6832 297.1167 101.9890 137.2938 557377.3476 -2.9311 -2.8900 PRESSURE: 2914400 -228.862 66.7071 159.114 66.7072 -108.953 51.5399 159.115 51.5396 -517.103 GPRESSURE: 2914400 -225.541 83.3975 149.244 25.9436 -63.6863 3.99814 165.642 105.093 -460.472 PRESSAVG: 2914400 -67.2818 -49.1643 41.8524 -49.1644 10.2615 13.6509 41.8524 13.6508 1.33563 GPRESSAVG: 2914400 -68.4329 -48.3762 42.9916 -51.2256 10.5274 14.9868 42.7332 12.7393 1.86584 TIMING: 2914400 CPU: 8446.03, 0.00289731/step Wall: 8446.03, 0.00289731/step, 1.67851 hours remaining, 207.320312 MB of memory in use. ENERGY: 2914400 788.6382 2039.6518 1986.3114 110.0229 -206176.1447 17558.8158 0.0000 0.0000 34165.0119 -149527.6927 298.3715 -183692.7046 -149422.8671 297.6404 -284.9728 -249.8996 558030.9766 -18.5616 -18.6799 PRESSURE: 2914600 142.967 150.062 -40.6718 150.063 1.84645 -68.4137 -40.6712 -68.4147 144.035 GPRESSURE: 2914600 148.582 225.551 -131.631 49.7343 96.2757 -57.5935 22.7092 29.5358 140.339 PRESSAVG: 2914600 -1.78683 -38.172 12.8007 -38.1721 44.6078 13.1257 12.8007 13.1257 -57.9418 GPRESSAVG: 2914600 -0.416968 -36.2299 11.8287 -38.4594 43.9733 11.6506 12.8338 15.6174 -59.1283 TIMING: 2914600 CPU: 8446.61, 0.00292427/step Wall: 8446.61, 0.00292427/step, 1.69397 hours remaining, 207.320312 MB of memory in use. ENERGY: 2914600 727.9779 2046.8217 1968.2139 111.2256 -206386.8877 17937.4749 0.0000 0.0000 34072.0980 -149523.0757 297.5601 -183595.1737 -149427.8849 297.7250 96.2828 128.3989 557676.7667 -5.0403 -5.1907 PRESSURE: 2914800 -225.079 33.9398 16.6632 33.9395 -53.5893 -181.302 16.6624 -181.301 -331.847 GPRESSURE: 2914800 -229.29 38.7312 -45.9133 -0.84539 -71.8752 -210.944 -18.3832 -181.722 -207.162 PRESSAVG: 2914800 15.5252 36.1199 6.75311 36.1198 20.8642 -15.7021 6.75313 -15.7022 -15.8627 GPRESSAVG: 2914800 15.0045 33.0019 7.00907 35.3311 20.1239 -15.9307 7.78486 -17.6486 -14.9455 TIMING: 2914800 CPU: 8447.19, 0.00290945/step Wall: 8447.19, 0.00290945/step, 1.68522 hours remaining, 207.523438 MB of memory in use. ENERGY: 2914800 766.2533 2114.1738 1985.8867 119.2980 -206500.2689 17747.0708 0.0000 0.0000 34251.1186 -149516.4677 299.1235 -183767.5863 -149415.1889 298.2373 -203.5052 -169.4426 558879.4857 6.8422 6.7276 PRESSURE: 2915000 33.7937 66.3633 142.755 66.3642 -156.025 -164.294 142.754 -164.294 118.659 GPRESSURE: 2915000 97.321 30.6976 192.417 100.212 -70.5416 -123.427 130.207 -91.7803 83.9881 PRESSAVG: 2915000 -11.1873 -41.23 15.6295 -41.23 -19.5338 -29.0685 15.6296 -29.0685 3.36855 GPRESSAVG: 2915000 -12.939 -40.5377 14.8211 -40.2527 -17.7622 -27.9352 14.2601 -29.2585 3.69819 TIMING: 2915000 CPU: 8447.77, 0.00290567/step Wall: 8447.77, 0.00290567/step, 1.68287 hours remaining, 207.523438 MB of memory in use. ENERGY: 2915000 765.5502 2042.2659 1971.0227 111.7324 -206681.4461 18041.9161 0.0000 0.0000 34201.4304 -149547.5282 298.6896 -183748.9586 -149454.9710 297.9059 -1.1905 36.9225 557045.5250 -9.1175 -9.0010 PRESSURE: 2915200 -137.027 -87.3863 -26.7894 -87.386 113.225 50.262 -26.7887 50.2611 -226.64 GPRESSURE: 2915200 -108.079 -90.0955 10.207 -50.8701 141.357 65.2602 -49.9195 -16.4576 -192.371 PRESSAVG: 2915200 -38.0796 5.8189 7.68479 5.819 51.3467 -23.2911 7.68472 -23.2912 -10.4181 GPRESSAVG: 2915200 -37.89 4.13581 10.2694 8.50121 52.9175 -24.3152 7.68543 -21.1516 -12.3298 TIMING: 2915200 CPU: 8448.36, 0.00291355/step Wall: 8448.36, 0.00291355/step, 1.68727 hours remaining, 207.523438 MB of memory in use. ENERGY: 2915200 765.9598 2089.6251 1957.0625 116.4441 -206276.2747 17676.8069 0.0000 0.0000 34211.3869 -149458.9894 298.7766 -183670.3763 -149366.5839 298.7453 -83.4806 -53.0309 557395.7625 0.9497 0.8992 PRESSURE: 2915400 186.851 6.11486 5.82469 6.11436 6.537 -3.56149 5.82289 -3.5597 76.8637 GPRESSURE: 2915400 247.536 134.767 9.4808 -114.176 9.93739 15.3562 42.3292 -23.2017 101.099 PRESSAVG: 2915400 -51.504 -32.032 37.7867 -32.032 39.4088 -31.2414 37.7867 -31.2413 -31.8881 GPRESSAVG: 2915400 -49.7145 -27.758 34.0673 -35.2891 36.8367 -29.6933 38.8017 -32.3899 -30.896 TIMING: 2915400 CPU: 8448.94, 0.00292783/step Wall: 8448.94, 0.00292783/step, 1.69538 hours remaining, 207.523438 MB of memory in use. ENERGY: 2915400 772.9607 2125.2732 1916.9535 104.8995 -206414.2468 17948.2420 0.0000 0.0000 34149.0676 -149396.8502 298.2323 -183545.9178 -149301.6168 298.7663 90.0838 119.5238 557143.8458 -14.6611 -14.5913 PRESSURE: 2915600 23.0913 -5.76128 65.2267 -5.76114 -186.691 93.7896 65.2266 93.7899 -251.085 GPRESSURE: 2915600 95.7073 -38.9163 141.998 -12.1167 -149.81 64.4131 116.901 214.633 -263.375 PRESSAVG: 2915600 10.0956 -55.6515 61.1681 -55.6514 49.9693 -46.6129 61.168 -46.6129 -45.2518 GPRESSAVG: 2915600 8.72652 -57.3525 62.7928 -55.9805 50.6036 -48.2453 62.4893 -45.6542 -44.9669 TIMING: 2915600 CPU: 8449.52, 0.00291222/step Wall: 8449.52, 0.00291222/step, 1.68618 hours remaining, 207.523438 MB of memory in use. ENERGY: 2915600 752.3774 2066.7691 1955.8276 101.4121 -206116.3355 17719.1224 0.0000 0.0000 34256.7429 -149264.0841 299.1727 -183520.8270 -149166.7272 298.9864 -138.2283 -105.8258 559137.1278 4.9377 4.7877 PRESSURE: 2915800 -109.169 -38.4018 -112.312 -38.4002 44.2809 0.186575 -112.312 0.185429 69.988 GPRESSURE: 2915800 -65.7701 -83.3803 -101.305 -73.8104 83.8949 -14.4121 -72.1997 -21.6792 84.6698 PRESSAVG: 2915800 27.5604 0.390647 -18.2914 0.390621 11.4779 -7.79977 -18.2915 -7.79978 -3.24958 GPRESSAVG: 2915800 28.2338 1.11589 -17.4788 0.986191 13.0041 -7.90071 -19.9844 -6.72267 -5.39782 TIMING: 2915800 CPU: 8450.1, 0.00289615/step Wall: 8450.1, 0.00289615/step, 1.67671 hours remaining, 207.523438 MB of memory in use. ENERGY: 2915800 752.8504 2044.8830 1970.8717 115.3474 -206010.2957 17892.7121 0.0000 0.0000 34084.0094 -149149.6217 297.6641 -183233.6310 -149059.6208 299.1004 1.7000 34.2649 558505.1137 11.9296 11.9467 PRESSURE: 2916000 159.397 194.379 35.9338 194.379 -101.975 -121.525 35.9336 -121.527 47.7997 GPRESSURE: 2916000 253.838 260.226 24.3515 193.448 -143.543 -63.1807 49.9473 -130.132 87.7049 PRESSAVG: 2916000 21.0258 3.01138 -38.0852 3.01148 -35.4961 -41.2651 -38.0852 -41.2651 31.4811 GPRESSAVG: 2916000 22.1218 5.18614 -40.3486 2.35149 -37.783 -39.6516 -35.3789 -43.6172 32.5117 TIMING: 2916000 CPU: 8450.68, 0.00289159/step Wall: 8450.68, 0.00289159/step, 1.67391 hours remaining, 207.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2916000 713.5977 2096.5121 1945.0713 112.1529 -205773.9572 17704.9630 0.0000 0.0000 33969.1897 -149232.4706 296.6614 -183201.6603 -149139.7056 298.7916 35.0741 66.0000 557685.7786 5.6703 5.6168 PRESSURE: 2916200 -24.6369 -54.1528 79.0445 -54.1542 -49.649 -274.596 79.044 -274.594 -203.992 GPRESSURE: 2916200 20.3068 -2.51693 110.993 -151.213 -86.9762 -304.265 142.13 -292.351 -108.15 PRESSAVG: 2916200 18.7805 -19.4213 50.5797 -19.4212 -28.1871 -29.6827 50.5797 -29.6826 9.20208 GPRESSAVG: 2916200 16.9632 -21.6958 50.0981 -17.3538 -27.1626 -29.6713 49.7596 -29.3276 10.0487 TIMING: 2916200 CPU: 8451.26, 0.00289607/step Wall: 8451.26, 0.00289607/step, 1.67634 hours remaining, 207.523438 MB of memory in use. ENERGY: 2916200 753.1511 2061.5123 1940.2208 135.3752 -205863.5424 17677.0047 0.0000 0.0000 34112.5005 -149183.7778 297.9130 -183296.2782 -149098.0837 298.3678 -92.7592 -58.2730 558573.4944 -0.0682 -0.0502 LDB: ============= START OF LOAD BALANCING ============== 8454.65 LDB: ============== END OF LOAD BALANCING =============== 8454.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8454.65 LDB: ============= START OF LOAD BALANCING ============== 8454.94 LDB: Largest compute 4800 load 0.025175 is 21.3% of average load 0.117926 LDB: Average compute 0.001746 is 1.5% of average load 0.117926 LDB: TIME 8454.94 LOAD: AVG 0.117926 MAX 0.17968 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.863 MB LDB: TIME 8454.94 LOAD: AVG 0.117926 MAX 0.17968 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: TIME 8454.94 LOAD: AVG 0.117926 MAX 0.17968 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.883 MB LDB: ============== END OF LOAD BALANCING =============== 8454.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8454.95 PRESSURE: 2916400 89.2942 -42.1423 44.1127 -42.142 221.17 -122.901 44.1138 -122.901 -217.242 GPRESSURE: 2916400 79.2531 -49.809 56.2869 -65.1353 248.633 -69.5123 35.5632 -132.6 -140.781 PRESSAVG: 2916400 13.5505 10.203 18.8377 10.203 -24.5368 -63.6798 18.8377 -63.6799 -11.207 GPRESSAVG: 2916400 14.0461 9.12912 19.1485 8.52117 -24.8501 -64.8532 19.318 -64.3074 -11.4281 TIMING: 2916400 CPU: 8451.85, 0.00296643/step Wall: 8451.85, 0.00296643/step, 1.7169 hours remaining, 209.761719 MB of memory in use. ENERGY: 2916400 726.6120 2087.7801 1951.1681 110.2056 -206230.1412 17923.5279 0.0000 0.0000 34303.6276 -149127.2200 299.5821 -183430.8475 -149026.1935 299.2068 31.0740 62.3683 558787.0414 -7.3977 -7.4107 PRESSURE: 2916600 -210.881 -69.0195 -135.444 -69.0186 -208.484 63.5105 -135.445 63.51 -138.763 GPRESSURE: 2916600 -175.125 -63.7674 -118.639 -7.90664 -138.195 -44.0813 -100.222 54.8896 -145.725 PRESSAVG: 2916600 -17.147 -18.7003 -27.7805 -18.7002 22.2821 -28.7922 -27.7806 -28.7922 -1.71685 GPRESSAVG: 2916600 -16.1095 -17.8521 -27.3619 -18.7343 22.037 -28.2213 -28.2338 -29.457 -2.03874 TIMING: 2916600 CPU: 8452.44, 0.00291072/step Wall: 8452.44, 0.00291072/step, 1.6845 hours remaining, 209.832031 MB of memory in use. ENERGY: 2916600 742.2723 2123.6063 1939.3465 109.1701 -205938.3873 17660.1920 0.0000 0.0000 34358.9462 -149004.8539 300.0652 -183363.8001 -148919.3733 299.0696 -186.0427 -153.0150 559283.5164 1.1394 1.2963 PRESSURE: 2916800 154.1 51.9122 -121.481 51.9135 -161.152 -14.0859 -121.481 -14.0864 -355.866 GPRESSURE: 2916800 179.53 144.264 -106.069 60.6262 -163.171 -54.6866 -207.536 -12.1412 -278.908 PRESSAVG: 2916800 60.3513 48.0709 -56.6571 48.0709 -80.9781 49.0511 -56.6571 49.0513 19.4621 GPRESSAVG: 2916800 59.4811 47.9293 -55.4393 50.3845 -80.2009 48.9777 -56.4972 50.5502 19.6569 TIMING: 2916800 CPU: 8453.02, 0.00291183/step Wall: 8453.02, 0.00291183/step, 1.68498 hours remaining, 209.886719 MB of memory in use. ENERGY: 2916800 736.7835 2105.9318 1983.7973 108.0173 -205634.8563 17615.4408 0.0000 0.0000 34292.7537 -148792.1318 299.4871 -183084.8855 -148695.2283 299.5359 -120.9723 -87.5163 558826.0723 -0.3882 -0.3543 PRESSURE: 2917000 -268.329 2.97372 102.525 2.97442 -161.506 65.7662 102.525 65.7659 -169.57 GPRESSURE: 2917000 -218.399 -14.9536 50.0063 -23.955 -140.25 53.8309 121.551 72.6317 -134.974 PRESSAVG: 2917000 -37.111 14.9878 -9.66904 14.9879 24.9075 -22.8901 -9.66911 -22.8901 36.8853 GPRESSAVG: 2917000 -36.8216 13.4374 -8.69045 14.3801 25.5061 -23.8321 -11.3201 -24.2154 36.6329 TIMING: 2917000 CPU: 8453.6, 0.00291826/step Wall: 8453.6, 0.00291825/step, 1.68853 hours remaining, 209.886719 MB of memory in use. ENERGY: 2917000 745.9078 2075.5118 1960.5475 122.3777 -205705.3837 17435.4213 0.0000 0.0000 34510.3695 -148855.2481 301.3876 -183365.6176 -148763.4928 300.9231 -199.8018 -164.5409 558288.2925 8.2273 8.4391 PRESSURE: 2917200 -334.464 6.75042 -110.533 6.75193 -516.743 -190.032 -110.532 -190.033 -144.594 GPRESSURE: 2917200 -358.637 -27.7889 -160.178 8.08266 -414.316 -132.744 -83.3612 -241.132 -130.901 PRESSAVG: 2917200 -29.4977 -12.4925 -20.2818 -12.4925 7.30837 -36.5424 -20.2818 -36.5423 34.5454 GPRESSAVG: 2917200 -30.0352 -11.3945 -21.2895 -11.7709 7.28644 -34.505 -21.6489 -37.8051 34.5188 TIMING: 2917200 CPU: 8454.18, 0.00290371/step Wall: 8454.18, 0.00290371/step, 1.67996 hours remaining, 209.886719 MB of memory in use. ENERGY: 2917200 731.8875 2048.2197 1988.9364 116.0714 -205260.1534 17234.7712 0.0000 0.0000 34132.2981 -149007.9691 298.0858 -183140.2672 -148909.5903 299.6840 -331.9338 -301.2848 559680.7671 4.1187 3.9233 PRESSURE: 2917400 101.676 120.652 -54.2113 120.652 27.6799 -76.7489 -54.2108 -76.7495 125.543 GPRESSURE: 2917400 127.46 159.897 -58.6608 155.733 21.4979 -87.518 -35.5148 -82.2204 196.166 PRESSAVG: 2917400 10.3382 58.7486 -56.9713 58.7487 -48.0417 -25.272 -56.9713 -25.2721 67.7101 GPRESSAVG: 2917400 10.5041 58.3384 -54.6726 58.8157 -48.7033 -27.9175 -56.0104 -21.9187 68.2097 TIMING: 2917400 CPU: 8454.76, 0.00289473/step Wall: 8454.76, 0.00289473/step, 1.6746 hours remaining, 209.886719 MB of memory in use. ENERGY: 2917400 751.6141 2109.1071 1980.3026 105.5309 -206300.2510 17960.0915 0.0000 0.0000 34392.0910 -149001.5139 300.3547 -183393.6048 -148907.9436 299.3596 84.9664 115.0410 557412.5921 10.0022 10.0035 PRESSURE: 2917600 100.761 -204.446 -107.228 -204.447 187.431 -138.083 -107.23 -138.083 60.4138 GPRESSURE: 2917600 88.6597 -132.173 -58.9284 -172.296 194.487 -39.7785 -120.772 -226.778 149.635 PRESSAVG: 2917600 52.6751 -14.9246 -52.1467 -14.9246 -74.1049 -56.5509 -52.1468 -56.5509 58.0735 GPRESSAVG: 2917600 52.0826 -15.45 -52.4738 -14.8388 -73.3411 -55.4866 -53.2731 -58.2991 58.2303 TIMING: 2917600 CPU: 8455.34, 0.00287292/step Wall: 8455.34, 0.00287292/step, 1.66182 hours remaining, 209.886719 MB of memory in use. ENERGY: 2917600 707.8225 2131.2454 1941.7945 111.9500 -206325.2351 17939.8548 0.0000 0.0000 34290.5100 -149202.0579 299.4676 -183492.5679 -149106.3829 299.7546 116.2021 144.2604 557140.6126 12.2146 12.3239 PRESSURE: 2917800 -30.6819 50.0612 -99.5512 50.0603 -30.4024 66.2503 -99.5508 66.2498 -57.1156 GPRESSURE: 2917800 -32.7918 1.07036 -174.257 48.3946 26.2836 41.2797 -122.915 117.693 -18.2829 PRESSAVG: 2917800 -10.3631 8.73585 -26.331 8.73589 -75.081 -5.7845 -26.331 -5.78454 41.5341 GPRESSAVG: 2917800 -9.77209 7.62825 -26.1526 8.14079 -74.0529 -6.57647 -24.7042 -2.94079 40.2235 TIMING: 2917800 CPU: 8455.91, 0.00288523/step Wall: 8455.91, 0.00288523/step, 1.66878 hours remaining, 209.886719 MB of memory in use. ENERGY: 2917800 725.3717 2087.7770 1953.9543 128.1421 -206025.9407 17828.7027 0.0000 0.0000 34064.1878 -149237.8051 297.4910 -183301.9929 -149146.5319 299.1381 -39.4000 -8.2637 558628.8724 -14.6366 -14.5338 PRESSURE: 2918000 -88.3996 -157.054 -135.618 -157.054 -149.912 87.2485 -135.617 87.2486 -59.63 GPRESSURE: 2918000 -51.4638 -166.994 -148.364 -206.852 -109.384 90.7768 -204.296 96.8636 -37.4786 PRESSAVG: 2918000 50.0458 -9.72782 -26.6863 -9.72779 -12.9727 -27.1939 -26.6863 -27.1939 -20.8742 GPRESSAVG: 2918000 50.5356 -8.64898 -29.7351 -9.6789 -14.8967 -24.1875 -25.7518 -30.3456 -19.4995 TIMING: 2918000 CPU: 8456.49, 0.00288004/step Wall: 8456.49, 0.00288004/step, 1.66562 hours remaining, 209.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2918000 737.6800 2094.9533 1950.8159 108.0443 -206181.1402 17585.8906 0.0000 0.0000 34364.9588 -149338.7973 300.1177 -183703.7561 -149241.5472 298.6107 -99.3137 -66.1089 556337.4060 5.3996 5.3798 PRESSURE: 2918200 107.653 83.4083 -43.2469 83.4094 -68.7907 26.9337 -43.2463 26.9319 189.141 GPRESSURE: 2918200 166.94 39.9261 -66.4793 152.39 -3.60308 0.570438 -26.7272 54.6287 145.207 PRESSAVG: 2918200 -19.3183 8.46852 -40.7908 8.46859 -22.3876 -76.276 -40.7908 -76.276 10.9978 GPRESSAVG: 2918200 -20.4469 9.24556 -41.2258 7.14566 -20.8104 -77.9126 -39.9063 -74.6008 10.6214 TIMING: 2918200 CPU: 8457.07, 0.00289954/step Wall: 8457.07, 0.00289954/step, 1.67674 hours remaining, 209.886719 MB of memory in use. ENERGY: 2918200 726.3151 2109.9198 1949.4547 120.9778 -206368.9408 17987.3476 0.0000 0.0000 34282.1161 -149192.8096 299.3942 -183474.9257 -149096.3690 299.6740 76.0008 102.8479 556239.5144 -10.2360 -10.2120 PRESSURE: 2918400 172.641 43.5527 52.1336 43.5514 62.413 10.2931 52.1334 10.2938 161.101 GPRESSURE: 2918400 178.783 27.0452 37.4866 82.5439 123.005 32.408 12.985 44.4413 202.496 PRESSAVG: 2918400 -43.6415 -5.40067 -44.888 -5.40064 -25.7682 -6.95949 -44.8881 -6.95951 58.0644 GPRESSAVG: 2918400 -42.9051 -6.43095 -45.025 -4.75281 -26.4073 -6.92444 -43.015 -8.4206 58.0474 TIMING: 2918400 CPU: 8457.66, 0.00292403/step Wall: 8457.66, 0.00292403/step, 1.69074 hours remaining, 209.886719 MB of memory in use. ENERGY: 2918400 738.9643 2103.8766 1957.9354 113.6443 -206276.1962 17993.4124 0.0000 0.0000 34362.4793 -149005.8840 300.0961 -183368.3633 -148907.3529 299.6798 132.0518 168.0948 557582.9987 -3.7818 -3.7550 PRESSURE: 2918600 54.2782 -14.1707 -88.8734 -14.1707 26.7427 61.2701 -88.8742 61.2717 48.5386 GPRESSURE: 2918600 85.8019 26.1727 -48.049 -67.7896 76.1311 45.0041 -94.8866 103.747 63.0219 PRESSAVG: 2918600 41.1522 34.511 51.7004 34.511 -45.2322 -11.8571 51.7005 -11.8571 -4.87457 GPRESSAVG: 2918600 41.5468 35.5114 50.4968 34.5114 -46.3461 -12.2298 51.7378 -10.2658 -4.34071 TIMING: 2918600 CPU: 8458.24, 0.00292913/step Wall: 8458.24, 0.00292913/step, 1.69353 hours remaining, 209.886719 MB of memory in use. ENERGY: 2918600 728.5689 2035.6317 1978.9247 103.0848 -206083.4956 17759.8707 0.0000 0.0000 34395.1150 -149082.3000 300.3811 -183477.4150 -148991.2812 299.5885 43.1865 74.9850 557054.8616 -2.9849 -3.0467 PRESSURE: 2918800 29.6778 47.5142 -7.11688 47.5147 16.7657 29.9936 -7.11696 29.992 -228.278 GPRESSURE: 2918800 74.9679 137.754 -99.2601 14.0649 22.5425 11.609 71.9012 66.6221 -183.211 PRESSAVG: 2918800 -0.137133 69.65 11.6297 69.65 24.4054 -0.718795 11.6297 -0.718593 58.9807 GPRESSAVG: 2918800 -0.677355 71.3224 13.1584 69.3926 26.2704 -1.2585 9.08424 -1.18037 57.4491 TIMING: 2918800 CPU: 8458.82, 0.00291537/step Wall: 8458.82, 0.00291537/step, 1.68541 hours remaining, 209.886719 MB of memory in use. ENERGY: 2918800 746.3452 2071.3187 1942.5483 121.2057 -206314.3350 17913.7037 0.0000 0.0000 34500.0145 -149019.1989 301.2972 -183519.2134 -148918.4106 299.9782 -60.6116 -28.5669 559113.2494 27.7496 27.6807 PRESSURE: 2919000 -78.0377 -96.7391 81.9065 -96.7383 -292.797 -30.6667 81.9044 -30.6676 125.629 GPRESSURE: 2919000 -61.9977 -68.8888 24.469 -131.93 -291.974 -52.3664 4.41862 21.3687 197.597 PRESSAVG: 2919000 13.8687 24.8345 40.5798 24.8344 -44.162 -10.7663 40.5797 -10.7663 32.1552 GPRESSAVG: 2919000 14.0627 24.4356 41.3241 24.8646 -44.4398 -9.48455 39.8747 -12.2169 31.8753 TIMING: 2919000 CPU: 8459.4, 0.00290159/step Wall: 8459.4, 0.00290159/step, 1.67728 hours remaining, 209.886719 MB of memory in use. ENERGY: 2919000 740.3460 2110.7774 1972.0062 99.2261 -206202.6589 17809.5996 0.0000 0.0000 34514.9329 -148955.7708 301.4275 -183470.7037 -148854.7728 300.0105 -81.7354 -52.1247 557528.3153 0.6206 0.4994 PRESSURE: 2919200 -110.625 33.8261 51.3136 33.827 -273.62 31.1911 51.3144 31.19 45.3188 GPRESSURE: 2919200 -57.8318 2.65102 141.461 23.3031 -246.208 54.6875 15.8199 -49.3436 66.4081 PRESSAVG: 2919200 64.7666 -10.3864 73.8349 -10.3863 -149.903 19.0222 73.8349 19.0221 25.671 GPRESSAVG: 2919200 64.1019 -10.162 74.6523 -8.67547 -150.745 18.3663 71.5733 19.8575 27.4015 TIMING: 2919200 CPU: 8459.98, 0.00289851/step Wall: 8459.98, 0.00289851/step, 1.67534 hours remaining, 209.886719 MB of memory in use. ENERGY: 2919200 731.3991 2173.5646 1946.6264 112.0189 -205967.2835 17558.1001 0.0000 0.0000 34496.5547 -148949.0198 301.2670 -183445.5745 -148855.0102 300.6542 -112.9754 -79.2105 555630.3743 -19.8217 -19.7473 PRESSURE: 2919400 -263.444 173.07 -19.1554 173.071 -144.561 -158.931 -19.1561 -158.93 -78.3599 GPRESSURE: 2919400 -238.854 180.859 -35.1398 159.314 -115 -132.012 39.2424 -142.174 -48.8706 PRESSAVG: 2919400 53.383 -18.9757 34.1657 -18.9756 -11.0841 -11.4414 34.1658 -11.4414 -0.316105 GPRESSAVG: 2919400 52.6313 -21.0207 33.7213 -18.6357 -9.96232 -11.898 36.8957 -11.2503 -1.17 TIMING: 2919400 CPU: 8460.57, 0.00291955/step Wall: 8460.57, 0.00291955/step, 1.68734 hours remaining, 209.886719 MB of memory in use. ENERGY: 2919400 769.5834 2099.0890 1967.9228 104.9903 -205749.0188 17405.4985 0.0000 0.0000 34341.7143 -149060.2205 299.9147 -183401.9348 -148967.1513 300.1198 -162.1214 -134.2413 557134.1587 13.9943 13.8330 PRESSURE: 2919600 -80.2777 -39.1479 43.4355 -39.1482 -267.811 35.524 43.4351 35.5249 -181.919 GPRESSURE: 2919600 -63.7306 27.2466 16.1101 -76.7565 -241.848 44.5201 59.9827 137.8 -114.909 PRESSAVG: 2919600 52.1859 -31.0415 -19.4026 -31.0416 41.2867 -17.4204 -19.4026 -17.4203 -33.3679 GPRESSAVG: 2919600 52.9297 -29.3332 -18.6432 -33.3113 40.7671 -17.9989 -21.4852 -18.2819 -33.7473 TIMING: 2919600 CPU: 8461.15, 0.00292156/step Wall: 8461.15, 0.00292156/step, 1.68834 hours remaining, 209.886719 MB of memory in use. ENERGY: 2919600 717.6972 2111.6755 1984.6746 113.2096 -205843.3612 17548.0373 0.0000 0.0000 34291.2777 -149076.7893 299.4743 -183368.0670 -148973.2952 300.2455 -176.6690 -140.1626 557167.1549 20.0349 19.9831 PRESSURE: 2919800 359.904 -107.165 40.8303 -107.166 20.7491 -85.5997 40.8299 -85.6004 111.368 GPRESSURE: 2919800 412.645 -151.028 29.6531 -92.6111 64.4461 -59.4471 68.8023 -190.859 104.018 PRESSAVG: 2919800 69.9555 -49.0068 -8.3662 -49.0069 -45.4346 23.9804 -8.36618 23.9805 -37.8746 GPRESSAVG: 2919800 70.4641 -50.229 -9.4426 -46.1928 -45.4138 24.3053 -6.69177 23.6789 -38.0952 TIMING: 2919800 CPU: 8461.73, 0.00289605/step Wall: 8461.73, 0.00289605/step, 1.67343 hours remaining, 209.886719 MB of memory in use. ENERGY: 2919800 719.4226 2140.4580 1967.9460 114.6341 -206316.6539 17897.2387 0.0000 0.0000 34411.1657 -149065.7888 300.5213 -183476.9545 -148965.6297 300.0732 164.0070 193.7028 556007.6489 -4.4512 -4.3483 PRESSURE: 2920000 -128.058 112.077 108.958 112.076 163.437 107.591 108.957 107.593 159.934 GPRESSURE: 2920000 -55.773 76.7548 -3.39185 39.1606 175.299 58.112 147.634 74.5367 164.83 PRESSAVG: 2920000 11.7468 -7.04051 -28.6277 -7.0405 -16.9239 19.8079 -28.6276 19.8078 39.5869 GPRESSAVG: 2920000 10.5962 -6.42674 -30.0283 -9.69206 -15.7703 19.3106 -28.9578 20.7285 39.801 TIMING: 2920000 CPU: 8462.31, 0.00288276/step Wall: 8462.31, 0.00288276/step, 1.66559 hours remaining, 209.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2920000 756.0804 2147.9899 1958.8142 111.1471 -205937.5004 17809.6365 0.0000 0.0000 34152.9359 -149000.8964 298.2661 -183153.8323 -148900.2839 299.9789 65.1044 94.7853 556817.9135 11.4699 11.5423 PRESSURE: 2920200 -115.281 87.8492 54.7782 87.8492 -139.004 8.2828 54.7791 8.2824 -30.7132 GPRESSURE: 2920200 -71.4942 161.819 50.95 19.7257 -92.7549 -19.7756 41.6011 85.0792 -20.9433 PRESSAVG: 2920200 49.2894 -15.3869 25.6287 -15.3868 -62.9613 45.9996 25.6287 45.9995 -18.3497 GPRESSAVG: 2920200 49.2322 -15.348 26.5338 -13.874 -62.79 46.4554 25.8866 45.1177 -18.2569 TIMING: 2920200 CPU: 8462.88, 0.00287585/step Wall: 8462.88, 0.00287585/step, 1.66144 hours remaining, 209.886719 MB of memory in use. ENERGY: 2920200 791.3190 2066.0348 1960.6102 113.0576 -206085.1298 17718.9969 0.0000 0.0000 34345.8270 -149089.2844 299.9506 -183435.1114 -148994.4658 299.1092 -94.9992 -61.7308 558014.6101 -10.6739 -10.6049 LDB: ============= START OF LOAD BALANCING ============== 8466.27 LDB: ============== END OF LOAD BALANCING =============== 8466.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8466.27 LDB: ============= START OF LOAD BALANCING ============== 8466.56 LDB: Largest compute 4800 load 0.025760 is 21.9% of average load 0.117856 LDB: Average compute 0.001750 is 1.5% of average load 0.117856 LDB: TIME 8466.57 LOAD: AVG 0.117856 MAX 0.181425 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.793 MB LDB: TIME 8466.57 LOAD: AVG 0.117856 MAX 0.181425 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.992 MB LDB: TIME 8466.57 LOAD: AVG 0.117856 MAX 0.181425 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8466.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8466.57 PRESSURE: 2920400 -296.982 127.518 -57.7516 127.517 -301.307 109.253 -57.7508 109.255 -128.873 GPRESSURE: 2920400 -245.312 120.527 -87.897 201.984 -277.656 126.309 -33.7058 81.9247 -95.8682 PRESSAVG: 2920400 24.9877 -33.8773 -5.8722 -33.8772 42.6444 19.6284 -5.87219 19.6285 -100.569 GPRESSAVG: 2920400 25.3398 -32.7393 -6.41366 -34.3909 41.7354 19.1373 -6.40222 21.2611 -99.9981 TIMING: 2920400 CPU: 8463.48, 0.00296643/step Wall: 8463.48, 0.00296643/step, 1.71361 hours remaining, 208.292969 MB of memory in use. ENERGY: 2920400 701.7906 2040.4760 1988.6161 111.1332 -205926.4521 17499.5235 0.0000 0.0000 34364.7537 -149220.1590 300.1159 -183584.9127 -149117.6829 298.9353 -242.3873 -206.2787 558239.1743 -10.9791 -10.9743 PRESSURE: 2920600 -159.606 -0.262418 -4.07538 -0.262411 155.535 79.9744 -4.0744 79.9741 43.0216 GPRESSURE: 2920600 -89.906 -30.1162 15.3025 8.66637 166.937 -1.03495 -75.0539 131.937 59.8474 PRESSAVG: 2920600 -43.2203 8.62249 3.17181 8.62249 8.89231 -22.8742 3.17185 -22.8744 30.7808 GPRESSAVG: 2920600 -42.4052 8.92615 4.09365 6.76092 8.39175 -21.9719 2.75819 -21.9636 30.9312 TIMING: 2920600 CPU: 8464.06, 0.00291365/step Wall: 8464.06, 0.00291365/step, 1.68296 hours remaining, 208.292969 MB of memory in use. ENERGY: 2920600 754.8652 2091.6394 1973.2745 120.4483 -206165.3716 17851.4155 0.0000 0.0000 34256.4454 -149117.2832 299.1701 -183373.7286 -149021.5304 299.2557 12.9836 45.6260 557804.3052 -1.1824 -1.0274 PRESSURE: 2920800 -7.99571 54.1518 -164.931 54.1517 -62.3225 -31.4334 -164.932 -31.4341 132.501 GPRESSURE: 2920800 49.0923 41.9322 -159.975 106.595 8.22328 13.6081 -157.023 -49.9035 123.255 PRESSAVG: 2920800 -52.7125 10.2163 -35.523 10.2164 6.38184 -46.8003 -35.523 -46.8004 23.6413 GPRESSAVG: 2920800 -53.8864 9.7054 -36.2526 12.0667 7.20439 -45.9993 -36.6144 -49.3126 23.9344 TIMING: 2920800 CPU: 8464.64, 0.00290941/step Wall: 8464.64, 0.00290941/step, 1.68034 hours remaining, 208.292969 MB of memory in use. ENERGY: 2920800 721.6421 2102.6248 1979.6558 119.2702 -205924.5054 17704.0725 0.0000 0.0000 34258.1881 -149039.0519 299.1853 -183297.2400 -148937.2377 298.8331 20.7274 60.1901 557461.1423 -7.5631 -7.5826 PRESSURE: 2921000 63.7404 95.1126 49.9774 95.1119 -24.8217 -6.06363 49.9767 -6.06652 150.229 GPRESSURE: 2921000 115.165 123.304 55.2234 76.3623 0.609478 -77.2568 63.2235 33.5009 175.655 PRESSAVG: 2921000 -47.3021 52.7386 24.7387 52.7387 49.5524 -51.3847 24.7387 -51.3847 0.274608 GPRESSAVG: 2921000 -47.1793 53.7988 24.4752 52.6883 48.7497 -55.0296 24.6408 -47.0041 0.947577 TIMING: 2921000 CPU: 8465.23, 0.00292902/step Wall: 8465.23, 0.00292902/step, 1.69151 hours remaining, 208.292969 MB of memory in use. ENERGY: 2921000 758.1080 2068.4084 1942.7175 116.8035 -206329.8960 17926.0856 0.0000 0.0000 34246.1491 -149271.6240 299.0801 -183517.7731 -149166.7992 299.1881 63.0491 97.1434 557187.6287 0.8416 0.8393 PRESSURE: 2921200 -163.741 -27.2489 -89.1721 -27.2485 24.1143 -6.38696 -89.1712 -6.3864 198.373 GPRESSURE: 2921200 -80.1462 119.402 -70.961 -75.6759 21.5616 95.3473 -63.8595 -38.2341 215.103 PRESSAVG: 2921200 -51.5583 18.7743 26.4476 18.7743 17.3372 41.5953 26.4476 41.5951 -6.31517 GPRESSAVG: 2921200 -51.8706 19.9366 24.1824 18.4727 17.0626 44.9668 28.0392 38.6508 -6.05367 TIMING: 2921200 CPU: 8465.81, 0.00291857/step Wall: 8465.81, 0.00291857/step, 1.68531 hours remaining, 208.292969 MB of memory in use. ENERGY: 2921200 750.6954 2087.8203 1945.4321 111.2542 -206227.9979 17790.9889 0.0000 0.0000 34213.4690 -149328.3380 298.7947 -183541.8070 -149221.1146 299.5440 19.5819 52.1729 557264.0647 -13.5121 -13.6206 PRESSURE: 2921400 -139.014 -27.5822 -5.69242 -27.5837 -302.68 -10.5219 -5.69191 -10.52 -287.324 GPRESSURE: 2921400 -118.186 -42.814 -23.2794 -18.6719 -310.609 89.2849 85.712 37.3065 -203.908 PRESSAVG: 2921400 -5.26942 43.7774 -82.9954 43.7773 -75.1776 19.9299 -82.9953 19.9299 63.697 GPRESSAVG: 2921400 -4.00256 42.253 -82.228 44.5722 -75.7873 18.2515 -82.9877 20.6729 62.6578 TIMING: 2921400 CPU: 8466.39, 0.00288865/step Wall: 8466.39, 0.00288865/step, 1.66788 hours remaining, 208.292969 MB of memory in use. ENERGY: 2921400 754.0243 2038.2449 1994.6537 114.3241 -205964.5550 17502.3755 0.0000 0.0000 34006.7641 -149554.1684 296.9895 -183560.9325 -149458.7358 297.9511 -243.0062 -210.9011 557652.7430 -5.5833 -5.7107 PRESSURE: 2921600 -102.924 153.349 -27.1419 153.348 -112.038 -6.4095 -27.1419 -6.4093 -132.82 GPRESSURE: 2921600 -41.8707 225.078 -39.6293 100.236 -115.37 42.8794 -42.469 -59.0007 -88.6813 PRESSAVG: 2921600 9.90456 35.815 -18.9492 35.815 16.2201 -14.9395 -18.9492 -14.9396 -59.131 GPRESSAVG: 2921600 9.77385 35.9751 -16.9464 35.8551 16.0835 -14.6376 -18.8998 -15.5923 -58.8647 TIMING: 2921600 CPU: 8466.97, 0.00292061/step Wall: 8466.97, 0.00292061/step, 1.68616 hours remaining, 208.292969 MB of memory in use. ENERGY: 2921600 773.8209 2105.5659 1949.7399 100.2255 -206405.3107 17829.1661 0.0000 0.0000 34177.8486 -149468.9438 298.4837 -183646.7924 -149380.2339 298.1008 -115.9272 -81.9741 558103.8697 -11.0021 -11.0025 PRESSURE: 2921800 9.86025 46.8119 -50.2785 46.8111 74.5724 -127.876 -50.2792 -127.877 129.18 GPRESSURE: 2921800 31.3346 99.2139 -130.986 88.7807 124.513 -128.581 -48.9184 -80.4208 148.954 PRESSAVG: 2921800 5.49381 13.6396 10.7157 13.6395 34.7445 6.78104 10.7157 6.78113 -19.0605 GPRESSAVG: 2921800 6.55817 14.0245 9.51567 12.7437 35.1999 6.6074 9.27764 7.46711 -20.6635 TIMING: 2921800 CPU: 8467.55, 0.00289598/step Wall: 8467.55, 0.00289598/step, 1.67179 hours remaining, 208.292969 MB of memory in use. ENERGY: 2921800 722.2857 2085.9798 1955.0403 120.4732 -206030.4819 17684.4996 0.0000 0.0000 34215.1272 -149247.0761 298.8092 -183462.2032 -149151.0767 299.1806 71.2043 101.6004 556537.1002 7.0593 7.0315 PRESSURE: 2922000 40.4347 36.8097 135.529 36.8107 -22.0088 -200.253 135.529 -200.254 18.3051 GPRESSURE: 2922000 122.009 60.9751 156.011 9.69354 -9.15657 -102.694 104.227 -244.97 18.8323 PRESSAVG: 2922000 -25.6773 51.6627 -44.153 51.6627 39.2867 -39.2513 -44.1529 -39.2514 -28.0366 GPRESSAVG: 2922000 -27.0788 50.3914 -43.6748 55.0554 39.9745 -37.4342 -44.9533 -39.705 -28.3353 TIMING: 2922000 CPU: 8468.13, 0.00289681/step Wall: 8468.13, 0.00289681/step, 1.6721 hours remaining, 208.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2922000 778.8852 2089.0812 1959.0422 103.8290 -206360.8336 17950.9262 0.0000 0.0000 34239.2945 -149239.7753 299.0203 -183479.0698 -149149.3291 299.1985 12.2437 43.8950 557796.5501 -4.8091 -5.1465 PRESSURE: 2922200 18.7003 -58.2113 91.8055 -58.2109 79.8558 91.7298 91.8064 91.7303 212.578 GPRESSURE: 2922200 -7.35874 -92.9523 71.3738 -69.498 185.001 9.16083 140.713 26.6137 221.478 PRESSAVG: 2922200 24.3194 9.95905 -4.461 9.95907 41.5895 12.5829 -4.46109 12.5829 -61.9861 GPRESSAVG: 2922200 24.2627 10.567 -5.14691 6.72047 40.3551 11.6047 -1.12195 10.4968 -60.9154 TIMING: 2922200 CPU: 8468.71, 0.0029047/step Wall: 8468.71, 0.0029047/step, 1.67649 hours remaining, 208.292969 MB of memory in use. ENERGY: 2922200 749.4277 2102.8007 1952.1764 115.2216 -206077.8849 17824.5219 0.0000 0.0000 34264.3163 -149069.4203 299.2388 -183333.7366 -148973.8298 299.1583 103.7115 133.0402 555881.2965 1.3076 1.2341 PRESSURE: 2922400 -64.2349 -134.069 -31.8301 -134.069 24.8343 -73.8892 -31.8299 -73.8902 -198.136 GPRESSURE: 2922400 -67.571 -132.037 -28.1358 -65.1849 93.837 -107.866 -17.6114 -39.752 -162.516 PRESSAVG: 2922400 -26.6792 -6.43316 -9.43249 -6.43317 23.4509 13.4246 -9.43244 13.4245 4.38399 GPRESSAVG: 2922400 -27.1233 -7.4091 -10.1552 -3.37027 24.6832 12.7605 -10.7829 14.8174 3.59759 TIMING: 2922400 CPU: 8469.29, 0.00288821/step Wall: 8469.29, 0.00288821/step, 1.66682 hours remaining, 208.292969 MB of memory in use. ENERGY: 2922400 729.4981 2079.0171 1939.9639 103.2615 -205923.1875 17733.3373 0.0000 0.0000 34431.6448 -148906.4648 300.7001 -183338.1096 -148814.2723 299.3492 -79.1789 -45.4168 558655.0216 0.3852 0.3858 PRESSURE: 2922600 -162.772 -38.9283 -66.6702 -38.9289 1.95286 -82.4711 -66.671 -82.4698 114.044 GPRESSURE: 2922600 -134.61 -4.11142 -27.2154 -42.4548 4.14439 -34.1519 -123.03 -159.709 174.979 PRESSAVG: 2922600 2.52633 2.41662 -4.60717 2.4166 51.0149 47.527 -4.60718 47.5271 -65.4894 GPRESSAVG: 2922600 2.20818 2.76682 -4.77989 1.30423 50.8581 47.6921 -3.3027 47.251 -65.3294 TIMING: 2922600 CPU: 8469.87, 0.00287775/step Wall: 8469.87, 0.00287775/step, 1.66062 hours remaining, 208.292969 MB of memory in use. ENERGY: 2922600 736.7171 2080.1066 1926.4061 118.8850 -205829.9358 17807.3263 0.0000 0.0000 34192.3472 -148968.1475 298.6103 -183160.4948 -148871.0586 299.8206 -15.5917 14.8377 558686.8604 -3.9827 -4.0877 PRESSURE: 2922800 56.1898 -100.005 17.8254 -100.005 -18.1251 79.2007 17.8255 79.2006 69.3656 GPRESSURE: 2922800 95.766 -48.9636 64.2091 -96.566 -13.4588 39.5669 33.9326 101.033 106.322 PRESSAVG: 2922800 24.1302 9.78572 -14.5315 9.78574 5.65225 33.9565 -14.5315 33.9564 2.85601 GPRESSAVG: 2922800 24.4361 11.3324 -15.4878 7.74557 3.93888 32.9866 -15.5112 35.0494 4.37463 TIMING: 2922800 CPU: 8470.44, 0.00287708/step Wall: 8470.44, 0.00287708/step, 1.66007 hours remaining, 208.292969 MB of memory in use. ENERGY: 2922800 776.4743 2015.5528 1966.2210 124.7280 -206392.4127 17962.7530 0.0000 0.0000 34448.7306 -149097.9530 300.8493 -183546.6836 -148998.1668 299.4635 35.8101 62.8763 557860.8941 10.8795 10.9165 PRESSURE: 2923000 -202.575 46.2056 -4.51466 46.205 53.6579 81.3553 -4.51424 81.3572 -3.07591 GPRESSURE: 2923000 -145.265 93.718 5.39968 55.4615 91.4107 133.008 -46.5632 81.2709 -8.40344 PRESSAVG: 2923000 42.3879 -12.9509 -2.95917 -12.9509 -4.32994 -8.89642 -2.95912 -8.89652 -72.9386 GPRESSAVG: 2923000 41.8568 -15.085 1.32517 -11.4223 -3.35276 -8.6324 -4.50072 -8.11874 -73.7208 TIMING: 2923000 CPU: 8471.02, 0.00288825/step Wall: 8471.02, 0.00288825/step, 1.66636 hours remaining, 208.292969 MB of memory in use. ENERGY: 2923000 771.5359 2127.4047 1916.8232 108.0694 -205988.0055 17717.6590 0.0000 0.0000 34137.3752 -149209.1380 298.1302 -183346.5132 -149119.8112 299.5296 -50.6643 -20.7526 558971.9726 -11.6269 -11.7389 PRESSURE: 2923200 -178.582 51.4366 20.669 51.4369 71.8479 32.3378 20.6689 32.3373 76.9461 GPRESSURE: 2923200 -116.489 122.053 -9.1107 -29.6936 135.862 69.3156 -6.03032 -23.4452 38.6234 PRESSAVG: 2923200 42.936 -31.4772 -17.3291 -31.4772 41.1546 2.96408 -17.3291 2.96409 -66.0424 GPRESSAVG: 2923200 43.1469 -30.778 -19.9927 -31.0152 40.7048 1.9282 -17.3426 2.58045 -65.9072 TIMING: 2923200 CPU: 8471.59, 0.00287999/step Wall: 8471.59, 0.00287999/step, 1.66144 hours remaining, 208.292969 MB of memory in use. ENERGY: 2923200 774.3575 2081.1609 1934.0504 112.8394 -206318.8527 17843.1719 0.0000 0.0000 34398.2297 -149175.0429 300.4083 -183573.2726 -149083.1416 299.3412 -9.9295 19.3321 558634.4444 6.0161 5.9815 PRESSURE: 2923400 -48.9645 38.0235 140.046 38.0222 165.01 -56.2462 140.045 -56.2466 -194.836 GPRESSURE: 2923400 -19.1544 151.421 204.761 -55.197 186.069 -120.654 115.175 52.8424 -151.628 PRESSAVG: 2923400 27.2944 -20.1543 18.2767 -20.1544 18.3214 4.8607 18.2767 4.86073 -90.8753 GPRESSAVG: 2923400 26.6804 -19.5747 18.6561 -20.5928 19.4648 5.63807 19.9499 5.59239 -91.4406 TIMING: 2923400 CPU: 8472.17, 0.00287359/step Wall: 8472.17, 0.00287359/step, 1.65758 hours remaining, 208.292969 MB of memory in use. ENERGY: 2923400 774.9060 2082.7842 1955.1060 110.1864 -206562.5431 18085.6993 0.0000 0.0000 34211.1248 -149342.7364 298.7743 -183553.8612 -149241.7021 299.3591 -26.2634 5.0956 558547.7891 -15.0865 -15.0985 PRESSURE: 2923600 -253.924 -123.664 -70.8999 -123.662 35.1349 81.0156 -70.9008 81.0172 -202.662 GPRESSURE: 2923600 -235.591 -131.911 -25.6595 -142.137 66.0752 107.467 -124.147 27.3375 -162.067 PRESSAVG: 2923600 -11.3309 3.98109 18.4492 3.98104 59.6385 29.8576 18.4491 29.8576 -27.9014 GPRESSAVG: 2923600 -12.1691 2.92667 18.8373 6.03542 59.3573 29.0005 17.4968 28.8826 -26.893 TIMING: 2923600 CPU: 8472.74, 0.0028771/step Wall: 8472.74, 0.0028771/step, 1.65945 hours remaining, 208.292969 MB of memory in use. ENERGY: 2923600 761.5385 2045.9919 1968.2760 137.6187 -206054.0687 17699.7231 0.0000 0.0000 34226.9137 -149214.0069 298.9121 -183440.9205 -149116.3931 298.8340 -140.4837 -110.5276 559256.5511 6.8021 6.7651 PRESSURE: 2923800 -223.291 -29.9444 -108.016 -29.945 -251.476 70.0224 -108.019 70.0211 -47.6638 GPRESSURE: 2923800 -207.04 -25.1311 -60.2747 44.6258 -207.336 67.4999 -88.6249 25.1536 -1.09141 PRESSAVG: 2923800 17.4068 -17.7155 22.8021 -17.7155 64.1791 -3.89665 22.8022 -3.89664 -36.5001 GPRESSAVG: 2923800 19.9693 -16.362 22.7893 -17.9075 63.2956 -3.16894 23.5156 -3.78008 -37.6445 TIMING: 2923800 CPU: 8473.32, 0.00289793/step Wall: 8473.32, 0.00289793/step, 1.6713 hours remaining, 208.292969 MB of memory in use. ENERGY: 2923800 770.1162 2086.2703 1941.6751 105.5035 -205742.0187 17450.9074 0.0000 0.0000 34071.5427 -149316.0035 297.5553 -183387.5462 -149217.2041 298.5213 -174.1437 -138.4890 557569.9192 15.0286 15.2068 PRESSURE: 2924000 -220.391 23.7198 -27.8737 23.721 135.136 -47.7842 -27.8735 -47.7847 66.5482 GPRESSURE: 2924000 -120.074 68.4719 14.1176 12.7502 136.628 -22.2664 -23.9878 10.08 73.1273 PRESSAVG: 2924000 7.47851 -16.3817 -49.8022 -16.3817 21.4275 -44.9034 -49.8022 -44.9035 -4.30263 GPRESSAVG: 2924000 6.42421 -15.598 -50.8679 -18.2183 20.7443 -45.0822 -51.6841 -45.4466 -2.485 TIMING: 2924000 CPU: 8473.9, 0.00290163/step Wall: 8473.9, 0.00290163/step, 1.67327 hours remaining, 208.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2924000 756.8454 2000.2090 1983.2934 114.4879 -206151.6052 17770.2254 0.0000 0.0000 34324.7156 -149201.8285 299.7663 -183526.5441 -149102.7950 299.2562 -6.2354 29.8939 556534.1072 8.2011 8.2279 PRESSURE: 2924200 1.77503 -91.6115 -92.0337 -91.6111 -155.1 -0.491266 -92.0327 -0.491624 309.086 GPRESSURE: 2924200 11.1862 -78.9214 -61.7968 -115.763 -83.6139 -33.4072 -98.8393 54.4735 332.285 PRESSAVG: 2924200 23.4131 -19.5368 -8.12952 -19.5369 -32.9052 19.1422 -8.12952 19.1422 11.2906 GPRESSAVG: 2924200 23.1028 -22.4173 -7.5821 -18.0269 -31.1055 18.1895 -6.17123 20.3588 9.65898 TIMING: 2924200 CPU: 8474.48, 0.00288329/step Wall: 8474.48, 0.00288329/step, 1.66254 hours remaining, 208.292969 MB of memory in use. ENERGY: 2924200 787.3980 2105.5268 1984.2622 108.9837 -205899.7833 17718.5754 0.0000 0.0000 34156.3458 -149038.6915 298.2959 -183195.0373 -148943.7182 299.3153 51.9203 86.6192 555776.7716 0.5995 0.5521 LDB: ============= START OF LOAD BALANCING ============== 8477.86 LDB: ============== END OF LOAD BALANCING =============== 8477.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8477.87 LDB: ============= START OF LOAD BALANCING ============== 8478.15 LDB: Largest compute 4800 load 0.026804 is 22.7% of average load 0.117885 LDB: Average compute 0.001753 is 1.5% of average load 0.117885 LDB: TIME 8478.16 LOAD: AVG 0.117885 MAX 0.180841 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.234 MB LDB: TIME 8478.16 LOAD: AVG 0.117885 MAX 0.180841 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.438 MB LDB: TIME 8478.16 LOAD: AVG 0.117885 MAX 0.180841 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.438 MB LDB: ============== END OF LOAD BALANCING =============== 8478.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8478.16 PRESSURE: 2924400 -150.167 128.338 -13.5482 128.338 -216.622 -19.8752 -13.5476 -19.8759 -165.657 GPRESSURE: 2924400 -82.4185 143.87 -3.9852 198.676 -214.581 -41.6585 -82.3138 14.9254 -136.385 PRESSAVG: 2924400 -72.2896 -3.02795 53.2413 -3.02791 -8.52466 -13.6528 53.2412 -13.6529 30.5422 GPRESSAVG: 2924400 -71.6322 -2.53029 51.5191 -2.29004 -10.1324 -11.23 54.3848 -15.9668 31.0775 TIMING: 2924400 CPU: 8475.07, 0.00293898/step Wall: 8475.07, 0.00293898/step, 1.69448 hours remaining, 209.261719 MB of memory in use. ENERGY: 2924400 755.9075 2100.0986 1952.9897 115.9206 -206206.7261 17709.5435 0.0000 0.0000 34518.3743 -149053.8918 301.4575 -183572.2661 -148952.1346 299.9559 -177.4818 -144.4613 556503.9580 -16.7574 -16.8957 PRESSURE: 2924600 120.7 -21.7929 86.2677 -21.792 -86.7918 58.8159 86.2677 58.8176 -87.716 GPRESSURE: 2924600 123.902 -59.7023 22.6292 6.3535 -14.1835 -4.49643 83.7582 17.5627 -73.083 PRESSAVG: 2924600 56.7689 24.4843 11.3714 24.4844 4.37312 26.0825 11.3714 26.0825 6.22789 GPRESSAVG: 2924600 56.6564 25.1329 12.2523 23.7731 4.54425 25.3801 9.58557 26.8519 6.5329 TIMING: 2924600 CPU: 8475.64, 0.00287484/step Wall: 8475.64, 0.00287484/step, 1.65734 hours remaining, 209.460938 MB of memory in use. ENERGY: 2924600 747.0570 2110.8851 1933.1379 106.9650 -205782.3004 17565.0004 0.0000 0.0000 34226.5902 -149092.6648 298.9093 -183319.2550 -148999.9115 299.6467 -17.9358 12.2119 556689.5364 22.4566 22.5778 PRESSURE: 2924800 42.5262 -66.1139 -45.8604 -66.1146 26.8605 -114.364 -45.8606 -114.365 -56.5915 GPRESSURE: 2924800 41.0651 -85.425 -79.8269 -1.86947 88.8964 -77.0259 -21.8471 -162.034 -5.53121 PRESSAVG: 2924800 48.2691 43.5745 28.8817 43.5745 -36.607 -35.079 28.8816 -35.0791 -45.8533 GPRESSAVG: 2924800 47.7472 43.3233 29.6844 43.7187 -36.1042 -36.0974 28.1212 -33.996 -45.411 TIMING: 2924800 CPU: 8476.22, 0.0028651/step Wall: 8476.22, 0.0028651/step, 1.65157 hours remaining, 209.460938 MB of memory in use. ENERGY: 2924800 768.4656 2077.7012 1950.2719 112.9810 -206122.8101 17886.3238 0.0000 0.0000 34217.8993 -149109.1673 298.8334 -183327.0666 -149009.3087 299.7136 4.2651 41.4768 558072.5853 -11.3971 -11.2560 PRESSURE: 2925000 13.3316 -91.8487 -43.6047 -91.8476 -128.302 196.069 -43.6063 196.068 -113.105 GPRESSURE: 2925000 64.9279 -160.344 -56.9334 -57.2175 -120.163 125.196 -14.0422 196.352 -84.2522 PRESSAVG: 2925000 102.978 41.7223 57.3474 41.7223 -5.96264 -5.92557 57.3475 -5.92555 -38.9904 GPRESSAVG: 2925000 101.508 43.0039 58.1582 43.0538 -4.67369 -5.17857 58.8264 -6.4356 -38.6668 TIMING: 2925000 CPU: 8476.79, 0.00286959/step Wall: 8476.79, 0.00286959/step, 1.654 hours remaining, 209.460938 MB of memory in use. ENERGY: 2925000 768.2522 2093.6697 1951.2559 110.1104 -206107.6785 17684.8638 0.0000 0.0000 34372.8498 -149126.6767 300.1866 -183499.5265 -149029.7604 299.8439 -76.0251 -46.4958 557280.3073 19.3417 19.3893 PRESSURE: 2925200 -38.0503 124.477 28.0138 124.478 101.8 -93.6555 28.0127 -93.6548 83.4411 GPRESSURE: 2925200 16.8357 68.3466 54.3777 161.378 100.761 -67.9066 -6.01354 -111.011 120.417 PRESSAVG: 2925200 33.8798 7.95572 15.4367 7.95575 -45.5289 -15.0172 15.4367 -15.0171 12.0562 GPRESSAVG: 2925200 34.3224 8.57758 15.9778 5.46305 -46.7662 -15.1996 16.2121 -14.0915 12.408 TIMING: 2925200 CPU: 8477.37, 0.00290378/step Wall: 8477.37, 0.00290378/step, 1.67354 hours remaining, 209.460938 MB of memory in use. ENERGY: 2925200 737.1306 2056.1224 1953.5942 107.1222 -206103.5051 17819.3149 0.0000 0.0000 34189.6481 -149240.5728 298.5867 -183430.2210 -149143.0300 299.3059 49.0636 79.3378 557656.9553 0.1357 -0.0119 PRESSURE: 2925400 66.8022 37.9114 -23.7027 37.9113 1.48221 -29.3392 -23.7034 -29.3388 118.472 GPRESSURE: 2925400 186.791 17.8201 39.2013 -74.2316 17.252 -53.172 -27.6523 0.122771 91.4991 PRESSAVG: 2925400 43.1905 -13.6864 -31.8565 -13.6864 -19.5215 -34.1882 -31.8566 -34.1882 -34.7692 GPRESSAVG: 2925400 44.9356 -13.4585 -32.8705 -13.2215 -19.6463 -33.1886 -32.8999 -36.1498 -36.388 TIMING: 2925400 CPU: 8477.95, 0.00290046/step Wall: 8477.95, 0.00290046/step, 1.67147 hours remaining, 209.460938 MB of memory in use. ENERGY: 2925400 690.8471 2008.9882 1954.8060 119.9237 -206144.2507 17808.0465 0.0000 0.0000 34288.1641 -149273.4751 299.4471 -183561.6392 -149176.8429 298.4114 62.2522 98.5141 557566.8912 -3.7001 -3.6996 PRESSURE: 2925600 -255.553 -6.51537 11.7208 -6.51476 295.991 39.47 11.7223 39.4717 -148.093 GPRESSURE: 2925600 -176.232 -10.2951 78.3771 39.2004 259.288 115.114 -58.4196 32.8599 -108.702 PRESSAVG: 2925600 21.5308 -16.3654 -22.694 -16.3654 -46.1503 -92.5635 -22.694 -92.5635 40.1334 GPRESSAVG: 2925600 18.8353 -16.3945 -21.0344 -17.4529 -46.1974 -95.6526 -23.3693 -92.2521 42.8197 TIMING: 2925600 CPU: 8478.54, 0.00291998/step Wall: 8478.54, 0.00291998/step, 1.68256 hours remaining, 209.460938 MB of memory in use. ENERGY: 2925600 703.2512 2071.1149 1951.1799 93.1522 -205881.4329 17617.8746 0.0000 0.0000 34216.9700 -149227.8900 298.8253 -183444.8600 -149126.9490 298.7295 -35.8847 -8.5486 558680.2388 5.1713 5.1525 PRESSURE: 2925800 -238.81 97.559 -118.616 97.5579 -2.94564 17.0197 -118.616 17.02 51.4651 GPRESSURE: 2925800 -169.845 109.833 -93.7358 86.8888 29.5029 -70.156 -127.086 -64.8383 41.8074 PRESSAVG: 2925800 12.4473 -16.8325 43.3893 -16.8325 54.5174 -21.9786 43.3893 -21.9786 -24.7404 GPRESSAVG: 2925800 13.9508 -17.0535 42.8152 -13.52 54.8734 -18.3412 45.6227 -23.2551 -26.1539 TIMING: 2925800 CPU: 8479.12, 0.00292798/step Wall: 8479.12, 0.00292798/step, 1.687 hours remaining, 209.460938 MB of memory in use. ENERGY: 2925800 707.8701 2063.1197 1959.1849 112.1640 -205995.3063 17760.3493 0.0000 0.0000 34125.6230 -149266.9952 298.0276 -183392.6181 -149171.2754 299.1925 -63.4303 -32.8449 558795.7944 14.0748 14.2234 PRESSURE: 2926000 96.4394 -85.4656 35.7611 -85.4658 100.152 69.2564 35.7614 69.2548 59.4469 GPRESSURE: 2926000 126.963 -140.354 60.1091 -61.405 173.628 82.4213 -42.9722 43.3432 52.5807 PRESSAVG: 2926000 7.75508 56.7691 3.59678 56.769 2.40182 -49.355 3.59673 -49.3552 21.325 GPRESSAVG: 2926000 8.63971 54.7961 2.73149 56.1774 2.82057 -50.5475 3.41026 -47.3291 19.7412 TIMING: 2926000 CPU: 8479.7, 0.0028871/step Wall: 8479.7, 0.0028871/step, 1.66329 hours remaining, 209.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2926000 753.5865 2102.9181 1924.3964 111.3092 -206818.1716 18306.7202 0.0000 0.0000 34492.1309 -149127.1103 301.2284 -183619.2411 -149026.0876 299.5291 85.3460 117.7239 558343.5592 10.4940 10.4005 PRESSURE: 2926200 -322.221 -25.1017 54.6307 -25.1009 -73.4582 25.7707 54.6309 25.7687 -11.442 GPRESSURE: 2926200 -314.847 40.2294 128.293 -78.2361 -43.8424 66.0493 64.341 13.4998 59.5288 PRESSAVG: 2926200 15.9466 27.2339 -23.5433 27.234 55.9818 35.1119 -23.5433 35.1119 -29.456 GPRESSAVG: 2926200 14.804 29.8479 -24.0204 25.9887 56.0287 34.2524 -22.934 34.1849 -28.7835 TIMING: 2926200 CPU: 8480.28, 0.00289434/step Wall: 8480.28, 0.00289434/step, 1.6673 hours remaining, 209.460938 MB of memory in use. ENERGY: 2926200 745.2213 2110.4827 1937.5180 129.9112 -205962.6986 17529.5360 0.0000 0.0000 34333.9372 -149176.0922 299.8468 -183510.0295 -149080.0488 299.8448 -135.7071 -99.7201 558805.3864 14.1575 14.0164 PRESSURE: 2926400 -258.996 48.7639 67.3582 48.7635 -158.683 208.986 67.3585 208.984 -127.931 GPRESSURE: 2926400 -225.936 40.2634 76.3926 5.32435 -129.956 184.701 2.58833 260.499 -84.1596 PRESSAVG: 2926400 -38.6746 24.6919 23.977 24.6919 -48.3516 -18.6607 23.977 -18.6607 55.655 GPRESSAVG: 2926400 -37.4863 23.116 24.5743 24.2772 -48.4972 -18.0994 22.1882 -17.6968 55.2159 TIMING: 2926400 CPU: 8480.86, 0.00289069/step Wall: 8480.86, 0.00289069/step, 1.66504 hours remaining, 209.460938 MB of memory in use. ENERGY: 2926400 751.2435 2081.2075 1962.0789 130.4119 -206025.6761 17747.5266 0.0000 0.0000 33940.2022 -149413.0056 296.4082 -183353.2078 -149323.8948 299.3174 -181.8697 -146.6839 559043.9922 -10.4571 -10.2559 PRESSURE: 2926600 -56.6594 -107.947 -112.276 -107.947 -178.061 102.301 -112.275 102.302 143.087 GPRESSURE: 2926600 -29.8981 -107.07 -122.184 -133.458 -188.17 171.032 -126.461 56.7413 219.86 PRESSAVG: 2926600 19.3868 10.4123 33.0776 10.4124 -44.8441 53.8956 33.0776 53.8956 53.6834 GPRESSAVG: 2926600 18.7785 9.68182 33.4221 10.3438 -44.7565 52.7736 33.3371 53.87 54.4394 TIMING: 2926600 CPU: 8481.43, 0.00288578/step Wall: 8481.43, 0.00288578/step, 1.66205 hours remaining, 209.460938 MB of memory in use. ENERGY: 2926600 766.0411 2060.8963 1955.2444 114.1923 -206490.3817 18036.6706 0.0000 0.0000 34183.8587 -149373.4782 298.5361 -183557.3369 -149276.0162 298.1062 -30.5444 0.5974 558884.9439 9.4087 9.4871 PRESSURE: 2926800 -129.071 -23.7672 107.842 -23.7673 -54.4861 -26.9312 107.842 -26.9328 -259.319 GPRESSURE: 2926800 -65.0772 -45.1314 191.923 40.8067 -59.4578 -72.3279 52.8559 9.92495 -219.466 PRESSAVG: 2926800 10.8856 47.0043 32.3225 47.0043 15.4444 43.7119 32.3224 43.7118 11.9244 GPRESSAVG: 2926800 10.6411 47.5025 34.4955 48.4811 14.4321 43.6277 34.2862 43.9948 12.727 TIMING: 2926800 CPU: 8482.01, 0.00288787/step Wall: 8482.01, 0.00288787/step, 1.66309 hours remaining, 209.460938 MB of memory in use. ENERGY: 2926800 762.0843 2099.5533 1930.3491 106.4430 -206338.3641 17802.8247 0.0000 0.0000 34361.7720 -149275.3377 300.0899 -183637.1097 -149175.6154 298.8764 -147.6254 -114.6671 558454.4483 12.7515 12.6001 PRESSURE: 2927000 -277.872 -3.73528 -82.362 -3.73521 -331.176 -27.9772 -82.3621 -27.9767 -391.461 GPRESSURE: 2927000 -276.691 -53.2441 -122.724 -7.00637 -289.076 -49.7403 -66.8554 -19.124 -329.14 PRESSAVG: 2927000 -37.3172 -4.88801 -8.2046 -4.888 -6.47308 -4.59268 -8.20463 -4.59271 7.79137 GPRESSAVG: 2927000 -37.2782 -5.44983 -10.6434 -6.37034 -5.51079 -4.35169 -9.58476 -5.19816 7.44568 TIMING: 2927000 CPU: 8482.59, 0.00291007/step Wall: 8482.59, 0.00291007/step, 1.67572 hours remaining, 209.460938 MB of memory in use. ENERGY: 2927000 790.5452 2092.9466 1963.2349 112.2092 -205864.6627 17403.4309 0.0000 0.0000 34062.2998 -149439.9961 297.4745 -183502.2959 -149352.2346 298.5980 -333.5030 -298.3023 558623.8310 -11.9996 -11.7811 PRESSURE: 2927200 -167.034 -14.6606 -70.738 -14.66 -94.2999 -29.5614 -70.7377 -29.5603 223.786 GPRESSURE: 2927200 -74.4921 9.20701 -46.9635 -64.8495 -99.2869 -22.0031 -40.4298 -71.8254 235.724 PRESSAVG: 2927200 33.0829 -48.8182 12.7694 -48.8182 4.68345 47.1606 12.7694 47.1605 -13.2411 GPRESSAVG: 2927200 32.7553 -48.8949 12.4932 -45.921 5.18708 46.8684 14.7462 46.3672 -13.6637 TIMING: 2927200 CPU: 8483.17, 0.0028781/step Wall: 8483.17, 0.0028781/step, 1.65715 hours remaining, 209.460938 MB of memory in use. ENERGY: 2927200 737.2619 2144.5745 1953.6031 112.7683 -206631.2961 17996.2303 0.0000 0.0000 34265.6482 -149421.2099 299.2504 -183686.8580 -149326.6359 298.8206 -12.5161 20.6485 557966.6594 8.1751 8.0929 PRESSURE: 2927400 -164.121 4.80869 148.689 4.81002 34.2347 -98.7143 148.69 -98.7134 51.4628 GPRESSURE: 2927400 -146.306 54.2856 77.2084 -45.546 129.671 -98.0185 201.973 -62.4751 51.8421 PRESSAVG: 2927400 -49.7926 -23.5331 44.7594 -23.5331 -24.5667 15.3864 44.7593 15.3863 58.2784 GPRESSAVG: 2927400 -50.0407 -21.1025 45.4247 -26.2907 -24.2627 14.0306 43.846 17.6508 58.2438 TIMING: 2927400 CPU: 8483.74, 0.00287826/step Wall: 8483.74, 0.00287826/step, 1.65708 hours remaining, 209.460938 MB of memory in use. ENERGY: 2927400 737.7059 2071.1306 1955.5775 129.3368 -206223.2549 17778.3827 0.0000 0.0000 34227.3782 -149323.7432 298.9162 -183551.1214 -149229.2770 298.7551 -26.1413 11.7355 557404.7612 -5.3603 -5.3532 PRESSURE: 2927600 -21.1903 -83.6211 74.2188 -83.6224 74.4924 -14.6416 74.2189 -14.6412 -274.441 GPRESSURE: 2927600 -8.3152 -8.46475 90.3303 -98.8082 78.7638 29.1611 56.7613 -63.5084 -192.676 PRESSAVG: 2927600 8.78062 12.6555 37.2072 12.6555 -7.34182 1.25136 37.2072 1.25131 -7.67936 GPRESSAVG: 2927600 8.3501 13.106 37.6694 12.1791 -7.8621 2.57279 35.6644 -1.38705 -6.97688 TIMING: 2927600 CPU: 8484.32, 0.00288858/step Wall: 8484.32, 0.00288858/step, 1.66286 hours remaining, 209.460938 MB of memory in use. ENERGY: 2927600 734.7961 2032.4173 1958.8994 113.1778 -206241.2128 17847.9775 0.0000 0.0000 34276.5689 -149277.3759 299.3458 -183553.9448 -149177.9548 299.1495 -73.7129 -40.7426 558122.9116 -2.0802 -2.1630 PRESSURE: 2927800 224.908 -34.0487 -161.842 -34.0489 76.4922 26.2212 -161.842 26.2213 76.6032 GPRESSURE: 2927800 219.188 -43.2955 -81.4951 28.8475 158.965 62.9491 -180.148 55.9867 97.5146 PRESSAVG: 2927800 50.5116 -6.53658 49.2351 -6.53657 -32.9976 35.6808 49.2352 35.6807 -5.07295 GPRESSAVG: 2927800 51.2583 -7.94533 50.797 -3.95505 -32.0325 36.9509 50.2172 36.9383 -6.06492 TIMING: 2927800 CPU: 8484.9, 0.00291195/step Wall: 8484.9, 0.00291195/step, 1.67615 hours remaining, 209.460938 MB of memory in use. ENERGY: 2927800 724.8861 2089.5917 1957.1847 105.1280 -206486.1606 18028.0994 0.0000 0.0000 34460.7988 -149120.4719 300.9547 -183581.2707 -149024.4608 299.9744 126.0011 158.5557 556248.7415 4.1470 4.3870 PRESSURE: 2928000 -52.782 97.4419 -0.825505 97.4425 -111.953 -69.088 -0.826323 -69.0876 -23.9491 GPRESSURE: 2928000 -7.54252 57.4729 -27.2093 76.3496 -114.748 -72.9631 51.7027 -19.0801 20.8003 PRESSAVG: 2928000 61.7764 -14.418 -0.415685 -14.4181 43.2582 53.9243 -0.415805 53.9243 -60.1881 GPRESSAVG: 2928000 61.3187 -13.9182 -2.17223 -15.5583 43.0644 53.2215 -0.787397 52.3727 -59.5611 TIMING: 2928000 CPU: 8485.48, 0.00289607/step Wall: 8485.48, 0.00289607/step, 1.66685 hours remaining, 209.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2928000 729.4058 2104.1416 1947.1707 127.8849 -206134.0476 17749.8380 0.0000 0.0000 34243.0591 -149232.5475 299.0532 -183475.6066 -149137.3130 299.3785 -62.8946 -33.8300 558596.4248 14.9488 14.9407 PRESSURE: 2928200 120.793 -46.6141 16.8962 -46.6147 -15.1182 -10.0818 16.8969 -10.0816 -20.8683 GPRESSURE: 2928200 152.468 -65.1871 -3.90604 -17.9329 47.7399 -10.8141 -5.38361 47.0453 -11.391 PRESSAVG: 2928200 -10.5906 -12.8573 -28.9633 -12.8572 25.5848 -52.347 -28.9632 -52.347 -49.0272 GPRESSAVG: 2928200 -11.1203 -12.9152 -30.6702 -14.2097 24.8262 -50.448 -27.7288 -50.9233 -47.9457 TIMING: 2928200 CPU: 8486.06, 0.00289209/step Wall: 8486.06, 0.00289209/step, 1.6644 hours remaining, 209.460938 MB of memory in use. ENERGY: 2928200 744.2680 2129.2720 1934.3441 106.4735 -206103.7285 17792.0986 0.0000 0.0000 34273.3730 -149123.8993 299.3179 -183397.2723 -149027.8453 299.0891 28.2688 62.9390 558765.5967 -11.3443 -11.4133 LDB: ============= START OF LOAD BALANCING ============== 8489.45 LDB: ============== END OF LOAD BALANCING =============== 8489.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8489.45 LDB: ============= START OF LOAD BALANCING ============== 8489.74 LDB: Largest compute 4800 load 0.026727 is 22.7% of average load 0.117899 LDB: Average compute 0.001740 is 1.5% of average load 0.117899 LDB: TIME 8489.74 LOAD: AVG 0.117899 MAX 0.181806 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 8489.74 LOAD: AVG 0.117899 MAX 0.181806 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.457 MB LDB: TIME 8489.74 LOAD: AVG 0.117899 MAX 0.181806 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.457 MB LDB: ============== END OF LOAD BALANCING =============== 8489.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8489.74 PRESSURE: 2928400 22.0177 -138.219 -184.013 -138.218 11.8148 -20.7837 -184.014 -20.7834 -161.879 GPRESSURE: 2928400 54.2401 -77.3454 -241.684 -197.152 33.9947 -4.96092 -200.751 -65.0532 -118.056 PRESSAVG: 2928400 -50.7674 -28.6724 36.8842 -28.6725 2.53264 -22.4285 36.8842 -22.4283 11.0131 GPRESSAVG: 2928400 -50.1487 -28.7264 38.5499 -28.9851 3.20152 -22.2761 36.5189 -23.4147 10.0994 TIMING: 2928400 CPU: 8486.65, 0.00293943/step Wall: 8486.65, 0.00293943/step, 1.69148 hours remaining, 210.984375 MB of memory in use. ENERGY: 2928400 763.5778 2073.1042 1954.1712 110.6903 -206204.4628 17738.1328 0.0000 0.0000 34244.7382 -149320.0482 299.0678 -183564.7864 -149218.8423 298.5519 -42.6823 -9.9403 556466.9477 -12.4072 -12.2826 PRESSURE: 2928600 -19.2148 198.286 -246.781 198.288 78.2519 -59.6175 -246.783 -59.6186 -89.4274 GPRESSURE: 2928600 -12.2639 178.871 -153.271 219.102 125.072 -96.2307 -211.634 65.5759 -39.2269 PRESSAVG: 2928600 -32.6191 -69.6325 -31.7839 -69.6325 35.5443 23.4122 -31.784 23.4122 -3.23277 GPRESSAVG: 2928600 -32.9919 -69.6951 -30.6172 -67.9931 34.8416 22.0258 -32.1244 22.9713 -2.57902 TIMING: 2928600 CPU: 8487.23, 0.0028803/step Wall: 8487.23, 0.0028803/step, 1.65729 hours remaining, 211.183594 MB of memory in use. ENERGY: 2928600 762.9745 2090.6353 1948.7772 111.4293 -206586.5410 18103.8853 0.0000 0.0000 34302.2372 -149266.6021 299.5700 -183568.8394 -149167.9095 298.9643 -10.1301 24.5272 558744.6748 -0.1025 -0.2431 PRESSURE: 2928800 261.902 32.9673 31.0306 32.9659 -139.999 -141.874 31.0302 -141.874 27.6586 GPRESSURE: 2928800 282.121 16.8872 -30.5964 -0.422833 -102.981 -150.221 42.5899 -144.292 65.9447 PRESSAVG: 2928800 20.2498 -13.7445 6.51378 -13.7446 -34.7729 -15.7343 6.51379 -15.7342 25.5007 GPRESSAVG: 2928800 21.1041 -14.0198 4.99361 -12.7107 -34.3896 -14.6215 5.75962 -15.2313 24.3962 TIMING: 2928800 CPU: 8487.8, 0.00288149/step Wall: 8487.8, 0.00288149/step, 1.65782 hours remaining, 211.183594 MB of memory in use. ENERGY: 2928800 767.3180 2112.2091 1957.4037 113.9638 -206510.1510 17959.1294 0.0000 0.0000 34297.0749 -149303.0521 299.5249 -183600.1270 -149205.5845 299.8682 49.8541 81.6948 558027.1169 3.6592 3.7036 PRESSURE: 2929000 -77.9121 -41.3352 -87.3569 -41.3355 -35.139 -167.965 -87.3576 -167.966 261.955 GPRESSURE: 2929000 -39.1682 70.1608 -83.8241 -91.8918 9.10366 -171.622 -58.6892 -144.634 271.415 PRESSAVG: 2929000 -48.5513 -14.0925 -35.2678 -14.0925 42.5134 -8.37099 -35.2676 -8.37086 13.7229 GPRESSAVG: 2929000 -47.8263 -12.1473 -37.0802 -16.8839 41.5337 -10.7439 -32.8612 -7.87738 14.2663 TIMING: 2929000 CPU: 8488.38, 0.00291591/step Wall: 8488.38, 0.00291591/step, 1.67746 hours remaining, 211.183594 MB of memory in use. ENERGY: 2929000 743.8367 2150.6191 1953.0346 90.7736 -206829.1161 18065.9558 0.0000 0.0000 34499.8690 -149325.0272 301.2959 -183824.8962 -149228.4364 299.5363 49.6346 80.4501 557361.9698 2.5617 2.6579 PRESSURE: 2929200 -179.235 110.397 127.298 110.396 -85.4261 126.75 127.299 126.75 376.422 GPRESSURE: 2929200 -199.18 29.6408 64.8414 220.039 -21.3492 86.3601 206.343 190.291 429.33 PRESSAVG: 2929200 33.4386 51.1184 -2.70499 51.1184 22.0938 -82.6272 -2.70498 -82.6272 -61.358 GPRESSAVG: 2929200 33.2499 50.1491 -2.41371 52.1648 23.1544 -82.9456 -4.95416 -80.3006 -61.8271 TIMING: 2929200 CPU: 8488.96, 0.00288975/step Wall: 8488.96, 0.00288975/step, 1.66225 hours remaining, 211.183594 MB of memory in use. ENERGY: 2929200 726.4273 2122.1375 1954.1626 120.6929 -206342.7879 17916.4048 0.0000 0.0000 34219.2374 -149283.7254 298.8451 -183502.9628 -149184.4816 299.6393 37.2536 69.6003 558390.8556 -1.9419 -1.8076 PRESSURE: 2929400 -22.3808 -113.521 69.3119 -113.521 -75.1439 -101.201 69.312 -101.202 109.244 GPRESSURE: 2929400 -45.4946 -183.263 126.793 -112.207 24.0957 -137.112 53.535 -36.3852 139.854 PRESSAVG: 2929400 -16.0605 45.1735 26.2833 45.1735 10.5285 -8.33441 26.2833 -8.33441 0.646085 GPRESSAVG: 2929400 -16.5914 45.9273 27.7607 44.4636 9.85019 -7.27908 26.9156 -7.58117 2.31999 TIMING: 2929400 CPU: 8489.54, 0.00290492/step Wall: 8489.54, 0.00290492/step, 1.67081 hours remaining, 211.191406 MB of memory in use. ENERGY: 2929400 791.3676 2084.9073 1970.2140 104.2973 -206419.1792 18025.3920 0.0000 0.0000 34218.2881 -149224.7130 298.8368 -183443.0011 -149124.8514 299.8662 3.9066 39.4850 559118.0824 -1.6286 -1.4737 PRESSURE: 2929600 -56.4327 -75.1131 -47.9764 -75.1139 -117.645 133.8 -47.9762 133.802 -117.124 GPRESSURE: 2929600 6.17524 -114.337 -51.9316 39.4968 -87.7741 96.7691 -12.6056 87.8671 -112.623 PRESSAVG: 2929600 -15.376 8.03615 23.1383 8.03626 14.7284 -12.1894 23.1383 -12.1894 42.0185 GPRESSAVG: 2929600 -15.8378 7.89192 23.6549 10.1004 15.743 -11.1329 22.2869 -13.6979 41.6769 TIMING: 2929600 CPU: 8490.12, 0.00287961/step Wall: 8490.12, 0.00287961/step, 1.6561 hours remaining, 211.191406 MB of memory in use. ENERGY: 2929600 723.2190 2099.8454 1970.6344 111.3880 -206346.1606 17846.4985 0.0000 0.0000 34269.2901 -149325.2852 299.2822 -183594.5754 -149227.9077 299.5618 -97.0672 -64.7407 558835.4986 13.7903 13.8607 PRESSURE: 2929800 -157.127 -78.8437 62.8063 -78.8426 -170.997 -33.3916 62.8063 -33.3924 -106.745 GPRESSURE: 2929800 -111.531 -84.1446 14.5429 -102.785 -120.623 -163.609 47.5044 40.6974 -96.5563 PRESSAVG: 2929800 -49.497 33.4612 40.7395 33.4613 42.4719 -9.41415 40.7395 -9.41426 -18.0327 GPRESSAVG: 2929800 -49.4691 33.2017 39.6211 32.83 42.1465 -11.1882 40.3117 -9.16876 -17.6821 TIMING: 2929800 CPU: 8490.7, 0.00289721/step Wall: 8490.7, 0.00289721/step, 1.66605 hours remaining, 211.191406 MB of memory in use. ENERGY: 2929800 725.2482 2047.4936 1967.4205 120.9563 -205874.4106 17580.0087 0.0000 0.0000 34374.0441 -149059.2391 300.1971 -183433.2832 -148964.4342 299.6704 -144.9563 -109.5700 558325.2140 -8.3526 -8.3349 PRESSURE: 2930000 -138.48 -52.0585 46.9346 -52.0594 -51.1486 -94.3468 46.9332 -94.3458 208.41 GPRESSURE: 2930000 -103.809 3.60009 12.5573 -61.39 65.1842 -126.389 113.037 -66.1111 153.56 PRESSAVG: 2930000 45.9135 35.0559 -7.59775 35.056 14.8337 -40.5716 -7.59771 -40.5717 -22.1722 GPRESSAVG: 2930000 46.7745 34.2391 -7.55455 33.8475 14.0431 -38.9303 -7.50489 -43.5625 -22.6051 TIMING: 2930000 CPU: 8491.28, 0.00288926/step Wall: 8491.28, 0.00288926/step, 1.66132 hours remaining, 211.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2930000 766.7329 2075.2775 1992.7461 116.5604 -206487.8495 18029.6536 0.0000 0.0000 34346.2557 -149160.6234 299.9544 -183506.8791 -149068.5815 300.0183 6.2605 38.3117 558598.7537 12.8583 12.7375 PRESSURE: 2930200 -67.0063 -89.0276 -20.5477 -89.028 -194.168 -111.493 -20.5481 -111.493 132.679 GPRESSURE: 2930200 -37.0277 -194.245 -31.7146 -14.479 -165.947 -81.7073 -2.21978 -145.701 171.777 PRESSAVG: 2930200 -50.3842 13.2216 50.5512 13.2216 -15.9338 -1.65198 50.5512 -1.65191 40.3432 GPRESSAVG: 2930200 -51.3667 12.5815 50.299 15.0287 -15.2341 -1.01342 51.326 -1.22353 41.2386 TIMING: 2930200 CPU: 8491.86, 0.00290207/step Wall: 8491.86, 0.00290207/step, 1.66853 hours remaining, 211.261719 MB of memory in use. ENERGY: 2930200 750.5613 2120.6273 1945.5246 114.7553 -206296.7343 17904.6181 0.0000 0.0000 34182.0616 -149278.5862 298.5204 -183460.6478 -149184.6320 298.8561 -42.8317 -10.3994 557651.2820 -8.6583 -8.4541 PRESSURE: 2930400 -51.5447 133.016 49.4327 133.017 128.092 -101.046 49.4306 -101.046 -144.602 GPRESSURE: 2930400 -1.72231 107.256 -11.6984 67.1814 126.37 -25.574 62.2902 -97.9514 -95.1436 PRESSAVG: 2930400 -29.4472 12.7932 20.4155 12.7933 52.5788 -42.8757 20.4155 -42.8758 1.98187 GPRESSAVG: 2930400 -28.5309 13.5847 20.1567 11.7501 51.9554 -46.7768 19.3144 -40.4241 1.81642 TIMING: 2930400 CPU: 8492.44, 0.00293068/step Wall: 8492.44, 0.00293068/step, 1.68481 hours remaining, 211.261719 MB of memory in use. ENERGY: 2930400 713.9803 2085.5249 1962.9302 107.8212 -206341.9740 17765.4355 0.0000 0.0000 34402.8554 -149303.4264 300.4487 -183706.2819 -149203.1513 298.2893 -22.6851 9.8348 556159.3779 8.3711 8.4137 PRESSURE: 2930600 -253.537 -340.017 -114.34 -340.017 249.219 -135.032 -114.341 -135.034 -229.095 GPRESSURE: 2930600 -223.831 -368.879 -53.6256 -273.543 281.689 -151.318 -114.666 -170.232 -191.028 PRESSAVG: 2930600 -75.842 -23.9303 -12.981 -23.9303 48.2281 -70.0416 -12.981 -70.0416 60.0231 GPRESSAVG: 2930600 -75.9324 -23.3216 -12.1624 -20.9574 48.8566 -68.4171 -10.7965 -70.5991 58.9496 TIMING: 2930600 CPU: 8493.03, 0.00291327/step Wall: 8493.03, 0.00291327/step, 1.67464 hours remaining, 211.261719 MB of memory in use. ENERGY: 2930600 742.4456 2023.0441 1991.1061 108.5168 -206154.5670 17686.2293 0.0000 0.0000 34305.8505 -149297.3744 299.6015 -183603.2250 -149198.6471 299.7807 -77.8044 -44.3898 557373.2549 10.8031 10.6246 PRESSURE: 2930800 14.5977 195.284 58.1737 195.284 103.178 192.99 58.1727 192.991 105.126 GPRESSURE: 2930800 81.9796 183.602 62.8084 229.62 100.478 216.575 -62.7043 210.156 141.765 PRESSAVG: 2930800 -29.8115 25.5504 -27.6127 25.5503 89.896 -51.952 -27.6126 -51.9519 -41.2171 GPRESSAVG: 2930800 -31.5 25.8143 -28.5559 23.0759 89.5435 -52.2762 -28.988 -53.2582 -39.6638 TIMING: 2930800 CPU: 8493.61, 0.0028997/step Wall: 8493.61, 0.0028997/step, 1.66668 hours remaining, 211.261719 MB of memory in use. ENERGY: 2930800 731.3723 2065.4308 1963.5141 116.3559 -206398.7818 18000.5748 0.0000 0.0000 34279.5992 -149241.9348 299.3723 -183521.5340 -149148.1978 299.2184 74.3007 108.0742 557996.2375 6.2891 6.1266 PRESSURE: 2931000 71.0662 48.3996 27.1157 48.3982 -48.6368 -126.07 27.1158 -126.071 -190.12 GPRESSURE: 2931000 43.9051 17.0263 16.8931 -15.2915 2.33507 -121.203 -8.0486 -134.466 -106.633 PRESSAVG: 2931000 77.0586 -1.41556 -8.60458 -1.41548 -0.620314 -17.2433 -8.60462 -17.2434 -39.2879 GPRESSAVG: 2931000 78.0143 -1.92518 -7.50164 -1.35226 -0.332579 -16.2818 -8.50396 -17.1659 -40.194 TIMING: 2931000 CPU: 8494.18, 0.00288782/step Wall: 8494.18, 0.00288782/step, 1.65969 hours remaining, 211.261719 MB of memory in use. ENERGY: 2931000 793.9109 2060.5917 1945.7502 108.1889 -206331.4429 18000.5451 0.0000 0.0000 34044.6870 -149377.7692 297.3207 -183422.4562 -149280.4914 298.4657 -55.8968 -20.1308 558404.6451 12.3835 12.4959 PRESSURE: 2931200 -270.878 104.281 -210.388 104.281 -129.641 7.7912 -210.387 7.79252 -281.507 GPRESSURE: 2931200 -219.488 112.029 -234.392 33.0652 -138.411 -49.727 -186 -5.25501 -225.135 PRESSAVG: 2931200 0.720562 -10.2567 -25.4722 -10.2568 10.0627 48.9319 -25.4722 48.9319 -33.2433 GPRESSAVG: 2931200 0.572234 -9.27991 -26.5441 -10.9858 9.84796 47.0601 -24.9467 50.1375 -33.0791 TIMING: 2931200 CPU: 8494.76, 0.00289933/step Wall: 8494.76, 0.00289933/step, 1.66615 hours remaining, 211.261719 MB of memory in use. ENERGY: 2931200 767.8833 2061.2164 1940.0779 124.9062 -206035.2093 17564.2936 0.0000 0.0000 34275.5789 -149301.2530 299.3372 -183576.8319 -149206.8264 298.8096 -227.3423 -194.3448 559774.6006 -7.4867 -7.5530 PRESSURE: 2931400 -62.573 -61.7029 97.4061 -61.7034 -225.478 9.04909 97.4071 9.04835 -18.96 GPRESSURE: 2931400 -77.0202 -66.3075 128.238 13.7709 -138.826 -95.9048 38.633 -3.0921 23.4397 PRESSAVG: 2931400 -27.6362 -21.1629 48.7397 -21.1629 -32.1011 25.3464 48.7396 25.3464 16.6965 GPRESSAVG: 2931400 -27.6488 -21.7698 49.6433 -19.4325 -31.7719 26.1812 48.0299 25.252 15.3529 TIMING: 2931400 CPU: 8495.35, 0.00291837/step Wall: 8495.35, 0.00291837/step, 1.67693 hours remaining, 211.261719 MB of memory in use. ENERGY: 2931400 761.8632 2090.2487 1959.5315 88.6568 -206288.8681 17993.6068 0.0000 0.0000 34106.7083 -149288.2530 297.8624 -183394.9613 -149196.2280 298.0738 -102.3369 -64.1355 558590.1074 -14.3470 -14.6893 PRESSURE: 2931600 -158.269 -33.7183 126.18 -33.7176 27.2881 46.2765 126.18 46.2768 78.7519 GPRESSURE: 2931600 -133.221 -54.6137 112.128 -4.12022 120.745 -18.1143 200.524 69.9453 63.6607 PRESSAVG: 2931600 -62.4744 -76.2186 -3.74055 -76.2186 41.5018 -25.5284 -3.74045 -25.5283 17.977 GPRESSAVG: 2931600 -62.5262 -77.296 -5.24491 -75.4565 41.5117 -26.4233 -3.01667 -27.393 18.0469 TIMING: 2931600 CPU: 8495.93, 0.00290148/step Wall: 8495.93, 0.00290148/step, 1.66706 hours remaining, 211.261719 MB of memory in use. ENERGY: 2931600 755.6291 2052.5978 1967.8617 113.4763 -206096.5796 17818.5741 0.0000 0.0000 34166.6020 -149221.8385 298.3854 -183388.4406 -149126.5990 299.3159 -17.4097 17.0618 556444.1263 -0.9986 -0.9892 PRESSURE: 2931800 -228.431 23.8494 -0.624461 23.8489 -120.767 219.917 -0.625067 219.915 118.824 GPRESSURE: 2931800 -212.914 51.7455 44.4986 24.2249 -51.8641 229.985 -22.815 192.308 141.171 PRESSAVG: 2931800 -70.034 10.8745 47.8165 10.8747 59.2959 -88.7739 47.8166 -88.7739 5.50462 GPRESSAVG: 2931800 -69.2087 10.2726 47.9838 10.521 59.1213 -88.4637 47.7904 -88.7228 5.06083 TIMING: 2931800 CPU: 8496.51, 0.00289807/step Wall: 8496.51, 0.00289807/step, 1.66494 hours remaining, 211.261719 MB of memory in use. ENERGY: 2931800 765.6933 2048.5859 1956.7132 110.1414 -205896.7452 17624.1563 0.0000 0.0000 34322.7156 -149068.7395 299.7488 -183391.4551 -148972.7042 299.3649 -76.7913 -41.2025 557375.8183 -1.7445 -1.6755 PRESSURE: 2932000 102.594 59.6633 80.7703 59.6637 88.7699 102.528 80.7723 102.528 -25.9045 GPRESSURE: 2932000 119.827 67.8615 56.7005 123.844 107.457 86.3304 48.2088 88.9803 38.0455 PRESSAVG: 2932000 -27.7443 -21.1438 14.8892 -21.1438 -20.2006 41.425 14.8891 41.425 39.7689 GPRESSAVG: 2932000 -28.2786 -19.9597 15.7556 -21.5819 -21.3348 42.5006 15.2419 43.3033 40.9098 TIMING: 2932000 CPU: 8497.08, 0.00288531/step Wall: 8497.08, 0.00288531/step, 1.65745 hours remaining, 211.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2932000 704.1904 2077.0489 1944.0926 110.6153 -205946.3043 17762.4578 0.0000 0.0000 34229.7232 -149118.1761 298.9367 -183347.8993 -149021.4914 299.9577 55.1530 88.4431 558024.3111 -2.7253 -2.9012 PRESSURE: 2932200 -166.589 -3.55445 74.0411 -3.55469 -87.979 23.3597 74.0418 23.3601 46.3319 GPRESSURE: 2932200 -152.305 -71.3118 48.7051 -38.6898 -26.2163 124.239 47.24 -13.3297 63.3594 PRESSAVG: 2932200 -16.2537 5.06123 -1.78901 5.06128 45.088 -4.08691 -1.78904 -4.08697 54.0832 GPRESSAVG: 2932200 -16.1492 3.62101 -2.82036 4.9232 46.5492 -4.46589 -2.13538 -5.51832 53.1408 TIMING: 2932200 CPU: 8497.67, 0.00291066/step Wall: 8497.67, 0.00291066/step, 1.67185 hours remaining, 211.261719 MB of memory in use. ENERGY: 2932200 740.2279 2090.3503 1950.7919 111.6799 -206183.0055 17639.7937 0.0000 0.0000 34476.2349 -149173.9270 301.0895 -183650.1618 -149079.8367 300.1203 -69.4122 -38.3872 556277.0592 27.6392 27.8469 LDB: ============= START OF LOAD BALANCING ============== 8501.05 LDB: ============== END OF LOAD BALANCING =============== 8501.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8501.06 LDB: ============= START OF LOAD BALANCING ============== 8501.35 LDB: Largest compute 4800 load 0.027485 is 23.3% of average load 0.117937 LDB: Average compute 0.001746 is 1.5% of average load 0.117937 LDB: TIME 8501.35 LOAD: AVG 0.117937 MAX 0.178413 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.969 MB LDB: TIME 8501.35 LOAD: AVG 0.117937 MAX 0.178413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 8501.35 LOAD: AVG 0.117937 MAX 0.178413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8501.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8501.36 PRESSURE: 2932400 41.5559 -1.17309 1.30672 -1.17298 -187.346 -130.262 1.30738 -130.263 -102.848 GPRESSURE: 2932400 96.2978 -16.4509 -36.1027 83.1587 -113.603 -208.904 52.2774 -76.7338 -127.94 PRESSAVG: 2932400 -30.2236 -24.3282 -21.3445 -24.3281 28.3189 -0.589425 -21.3445 -0.589485 -25.3378 GPRESSAVG: 2932400 -31.3185 -21.1045 -20.6698 -23.8083 28.6303 -1.72887 -22.9975 0.25938 -24.5583 TIMING: 2932400 CPU: 8498.26, 0.00296689/step Wall: 8498.26, 0.00296689/step, 1.70398 hours remaining, 210.343750 MB of memory in use. ENERGY: 2932400 754.4774 2050.7667 1943.7157 109.0413 -205731.7618 17601.9469 0.0000 0.0000 34174.7363 -149097.0774 298.4565 -183271.8137 -148998.4849 299.4853 -82.8795 -48.4151 556873.4622 -9.0808 -9.0822 PRESSURE: 2932600 -7.54597 38.422 -36.4845 38.424 112.779 -7.09977 -36.4842 -7.10009 -48.1074 GPRESSURE: 2932600 30.1007 -2.10182 -97.4032 48.6089 128.698 22.3534 -5.77426 -62.419 -0.474319 PRESSAVG: 2932600 -26.9691 -0.395914 -9.8247 -0.395992 26.8856 -15.2663 -9.82473 -15.2664 13.0837 GPRESSAVG: 2932600 -26.6693 -3.59527 -10.279 -0.796235 26.059 -14.3346 -7.87369 -17.4655 13.4447 TIMING: 2932600 CPU: 8498.84, 0.00290308/step Wall: 8498.84, 0.00290308/step, 1.66718 hours remaining, 210.414062 MB of memory in use. ENERGY: 2932600 733.7834 2060.2678 1954.4388 104.6220 -205872.5823 17625.4301 0.0000 0.0000 34417.0190 -148977.0212 300.5724 -183394.0402 -148880.3700 300.2188 19.0418 52.7746 557949.2727 4.3334 4.2781 PRESSURE: 2932800 203.569 114.941 -9.55043 114.941 -110.505 140.687 -9.55137 140.687 92.8692 GPRESSURE: 2932800 217.265 100.032 -69.374 143.227 -31.2771 65.2408 -55.2369 180.97 103.636 PRESSAVG: 2932800 20.5937 14.1759 -49.9752 14.1759 -16.8618 52.5594 -49.9753 52.5594 25.5927 GPRESSAVG: 2932800 20.2968 15.2411 -48.0125 13.1561 -15.2466 51.4748 -51.2358 53.1032 25.2393 TIMING: 2932800 CPU: 8499.42, 0.00291043/step Wall: 8499.42, 0.00291043/step, 1.67123 hours remaining, 210.414062 MB of memory in use. ENERGY: 2932800 714.3110 2097.9146 1927.0242 114.8798 -206446.3127 17898.5505 0.0000 0.0000 34580.0369 -149113.5957 301.9961 -183693.6326 -149015.0279 299.3769 61.9777 96.5412 557030.9308 9.7749 10.0965 PRESSURE: 2933000 -151.142 65.3385 -63.0378 65.3388 13.7217 1.83021 -63.0367 1.83055 89.0927 GPRESSURE: 2933000 -69.7743 172.978 -10.8101 -3.52985 35.4782 -40.4909 -100.64 46.9474 76.3125 PRESSAVG: 2933000 -20.6594 23.0996 -21.2792 23.0996 37.6342 46.3832 -21.2792 46.3831 -27.8938 GPRESSAVG: 2933000 -19.4216 22.4403 -23.1634 23.8017 36.4163 48.2998 -18.9711 45.0518 -27.5448 TIMING: 2933000 CPU: 8500, 0.00290061/step Wall: 8500, 0.00290061/step, 1.66543 hours remaining, 210.414062 MB of memory in use. ENERGY: 2933000 746.2434 2018.4870 1956.7398 108.5302 -206680.0907 17957.8574 0.0000 0.0000 34516.3787 -149375.8541 301.4401 -183892.2328 -149272.2187 299.8101 -16.1093 14.0055 556969.2599 -3.6397 -3.5167 PRESSURE: 2933200 -281.439 154.018 144.285 154.019 83.3176 239.04 144.285 239.04 163.785 GPRESSURE: 2933200 -230.192 176.679 214.367 80.8684 126.643 219.494 37.8531 190.986 157.736 PRESSAVG: 2933200 -23.8208 -5.14342 -42.321 -5.14337 -49.8199 21.8468 -42.3211 21.8468 52.116 GPRESSAVG: 2933200 -23.1112 -2.769 -41.1853 -7.38396 -49.563 20.1826 -43.8651 22.2767 51.2533 TIMING: 2933200 CPU: 8500.58, 0.00290503/step Wall: 8500.58, 0.00290503/step, 1.66781 hours remaining, 210.414062 MB of memory in use. ENERGY: 2933200 775.6575 2053.7342 1973.0319 89.7831 -206510.5966 17945.4122 0.0000 0.0000 34250.4938 -149422.4839 299.1181 -183672.9777 -149327.9728 299.1667 -11.4455 18.0623 556146.2963 -7.1749 -7.1403 PRESSURE: 2933400 3.73336 -38.011 48.5551 -38.0102 116.326 161.301 48.5548 161.302 11.777 GPRESSURE: 2933400 24.5299 -68.4185 -77.049 -93.1786 148.605 203.698 57.2843 145.718 57.2074 PRESSAVG: 2933400 9.32799 -24.8635 -1.41823 -24.8635 23.2113 23.7744 -1.41814 23.7743 6.63874 GPRESSAVG: 2933400 7.92624 -26.8489 -5.03149 -23.347 24.6323 23.7617 -1.81493 25.5357 6.5786 TIMING: 2933400 CPU: 8501.16, 0.00290331/step Wall: 8501.16, 0.00290331/step, 1.66666 hours remaining, 210.414062 MB of memory in use. ENERGY: 2933400 720.3804 2086.7892 1977.4408 121.4157 -206315.4410 17906.4455 0.0000 0.0000 34228.3389 -149274.6305 298.9246 -183502.9694 -149183.7737 299.7707 43.9454 76.7808 556458.9372 13.0593 13.0457 PRESSURE: 2933600 -46.4966 163.896 97.8908 163.897 179.766 -63.8311 97.8908 -63.8325 -143.189 GPRESSURE: 2933600 23.5094 97.8823 20.5634 64.2835 173.485 -25.7055 99.5577 -2.27461 -108.467 PRESSAVG: 2933600 -18.9256 59.8343 -3.30503 59.8341 12.1339 -2.45172 -3.30501 -2.45173 9.9617 GPRESSAVG: 2933600 -18.7541 60.1641 -1.50873 58.6493 11.2531 -3.00984 -1.96687 -2.26181 10.6058 TIMING: 2933600 CPU: 8501.75, 0.00291002/step Wall: 8501.75, 0.00291002/step, 1.67035 hours remaining, 210.414062 MB of memory in use. ENERGY: 2933600 736.6319 2053.9633 1969.4213 99.5929 -205998.8713 17627.0470 0.0000 0.0000 34329.4474 -149182.7675 299.8076 -183512.2149 -149077.3715 299.4523 -3.3064 29.5093 557242.0376 1.0567 1.0349 PRESSURE: 2933800 50.2532 -104.729 -175.553 -104.73 84.3877 72.216 -175.554 72.2156 122.173 GPRESSURE: 2933800 135.659 -174.913 -171.424 -15.117 109.189 139.421 -177.95 42.584 114.043 PRESSAVG: 2933800 31.3154 -10.9494 8.04429 -10.9493 44.3677 34.8159 8.04434 34.8159 -78.8257 GPRESSAVG: 2933800 31.3555 -11.4757 9.7165 -7.92267 44.3278 37.8603 6.33506 34.2583 -77.9098 TIMING: 2933800 CPU: 8502.33, 0.00290673/step Wall: 8502.33, 0.00290673/step, 1.6683 hours remaining, 210.414062 MB of memory in use. ENERGY: 2933800 736.6928 2077.6095 1966.0068 118.8660 -206412.1126 17914.0910 0.0000 0.0000 34329.8917 -149268.9548 299.8115 -183598.8465 -149176.9604 298.9849 85.6046 119.6302 557224.3705 -1.0475 -0.7422 PRESSURE: 2934000 58.1516 -1.28192 59.3519 -1.28145 16.3467 -67.4747 59.353 -67.4738 60.2877 GPRESSURE: 2934000 138.968 -1.33383 -26.3672 -27.0055 -2.93431 -19.4466 51.5325 -129.282 111.453 PRESSAVG: 2934000 -7.36227 -21.4886 -11.9604 -21.4886 -18.0002 6.65395 -11.9604 6.65399 1.23448 GPRESSAVG: 2934000 -7.2448 -20.0002 -12.4161 -22.9981 -18.2096 5.72208 -12.8006 5.51138 0.859834 TIMING: 2934000 CPU: 8502.91, 0.0029024/step Wall: 8502.91, 0.0029024/step, 1.66566 hours remaining, 210.414062 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: 2934000 713.2107 2062.4622 1972.7878 122.6205 -206020.2497 17762.7136 0.0000 0.0000 34184.6756 -149201.7793 298.5433 -183386.4549 -149104.9072 298.8710 44.9287 82.4956 558629.5085 -8.0427 -8.1982 PRESSURE: 2934200 -243.693 59.2803 -29.0388 59.2797 -72.6179 -164.373 -29.0396 -164.373 167.46 GPRESSURE: 2934200 -238.793 87.4727 -104.02 48.373 -54.9418 -114.707 1.27062 -129.354 233.085 PRESSAVG: 2934200 -61.9674 7.61385 16.2908 7.61384 22.7617 -63.67 16.291 -63.6701 38.2478 GPRESSAVG: 2934200 -61.9691 6.59691 16.5372 6.52378 23.2664 -64.6121 17.8546 -64.3435 37.9498 TIMING: 2934200 CPU: 8503.49, 0.0029144/step Wall: 8503.49, 0.0029144/step, 1.67238 hours remaining, 210.414062 MB of memory in use. ENERGY: 2934200 716.5691 2042.9828 1981.8997 103.5528 -205902.2895 17560.7888 0.0000 0.0000 34368.0821 -149128.4140 300.1450 -183496.4962 -149033.6215 299.7679 -49.6170 -20.2167 558398.4323 -0.3193 -0.2510 PRESSURE: 2934400 -124.227 -84.9689 -90.6763 -84.9679 -169.042 -96.0642 -90.6771 -96.0635 -102.513 GPRESSURE: 2934400 -75.3435 -47.2716 -22.994 -64.2131 -181.794 -116.121 -80.5833 -1.85014 -44.904 PRESSAVG: 2934400 -58.3611 51.8929 -47.3126 51.8929 42.9005 -12.9029 -47.3127 -12.9029 70.8327 GPRESSAVG: 2934400 -59.4146 51.5825 -47.3314 53.1843 43.8678 -13.7906 -47.4068 -11.9831 70.4305 TIMING: 2934400 CPU: 8504.07, 0.002893/step Wall: 8504.07, 0.002893/step, 1.65994 hours remaining, 210.414062 MB of memory in use. ENERGY: 2934400 788.6048 2049.7140 1975.4296 109.6440 -205958.6492 17683.6056 0.0000 0.0000 34171.2250 -149180.4262 298.4258 -183351.6512 -149080.3896 299.3046 -131.9275 -100.6806 558517.9141 18.4574 18.2946 PRESSURE: 2934600 83.2276 -31.88 12.4264 -31.8799 -59.3374 -4.1127 12.4281 -4.11335 21.4586 GPRESSURE: 2934600 136.79 -8.66229 -68.9216 -5.15472 -49.2042 33.6621 22.5258 -82.097 65.7817 PRESSAVG: 2934600 -21.5903 8.82602 -11.6374 8.8261 -44.6753 2.63026 -11.6375 2.63026 56.093 GPRESSAVG: 2934600 -21.013 11.2756 -12.5007 8.22206 -44.8644 4.62672 -10.5984 5.14938 56.0992 TIMING: 2934600 CPU: 8504.65, 0.00290534/step Wall: 8504.65, 0.00290534/step, 1.66686 hours remaining, 210.414062 MB of memory in use. ENERGY: 2934600 754.0343 2026.6884 1950.3420 117.6102 -206306.0357 18000.3254 0.0000 0.0000 34271.9291 -149185.1064 299.3053 -183457.0355 -149093.8022 298.8871 15.1163 51.1224 558999.6493 -3.3909 -3.2594 PRESSURE: 2934800 79.324 64.3646 41.4454 64.3628 75.752 -75.0952 41.4466 -75.0963 -114.941 GPRESSURE: 2934800 119.385 104.411 -13.5437 12.2652 107.788 -47.3055 -5.05586 -41.018 -89.4795 PRESSAVG: 2934800 44.7938 15.627 4.04125 15.6269 -60.0014 19.0215 4.04131 19.0215 5.08933 GPRESSAVG: 2934800 44.0229 12.9312 4.79725 16.1174 -60.7231 19.9321 0.940791 17.44 6.39506 TIMING: 2934800 CPU: 8505.23, 0.00291733/step Wall: 8505.23, 0.00291733/step, 1.67358 hours remaining, 210.414062 MB of memory in use. ENERGY: 2934800 735.5377 2051.9687 1960.5118 113.2660 -206127.1235 17824.7966 0.0000 0.0000 34312.8912 -149128.1516 299.6630 -183441.0427 -149035.6818 298.9131 13.3784 45.8976 557773.8287 -3.3727 -3.4350 PRESSURE: 2935000 -11.1051 -78.044 0.138437 -78.0449 193.241 -10.1965 0.139045 -10.1967 227.747 GPRESSURE: 2935000 82.4372 -141.398 38.0786 -7.07478 195.166 -17.3424 -85.5218 -22.0355 216.587 PRESSAVG: 2935000 -19.0617 -19.6143 -5.17501 -19.6143 24.6698 54.6428 -5.17496 54.6425 1.50808 GPRESSAVG: 2935000 -18.0181 -17.734 -5.98796 -18.9847 24.3187 53.1446 -3.80868 52.3553 0.455114 TIMING: 2935000 CPU: 8505.82, 0.00291183/step Wall: 8505.82, 0.00291183/step, 1.67026 hours remaining, 210.414062 MB of memory in use. ENERGY: 2935000 705.3812 2080.6370 1974.3204 105.0498 -206298.8467 18028.7161 0.0000 0.0000 34500.3374 -148904.4048 301.3000 -183404.7422 -148805.9022 299.7918 136.6279 164.7300 557767.8862 2.3721 2.2519 PRESSURE: 2935200 85.9933 120.472 79.3432 120.472 -78.2264 18.4162 79.3436 18.4156 -60.0463 GPRESSURE: 2935200 112.169 104.934 90.8789 173.067 -35.7721 121.465 94.7808 -39.0774 -40.6896 PRESSAVG: 2935200 -51.5049 -33.0834 59.0397 -33.0834 21.4703 50.29 59.0397 50.2899 8.06352 GPRESSAVG: 2935200 -51.5795 -33.3839 60.1265 -31.7641 21.4359 53.0286 58.8632 51.0495 7.4677 TIMING: 2935200 CPU: 8506.39, 0.0028877/step Wall: 8506.39, 0.0028877/step, 1.65625 hours remaining, 210.414062 MB of memory in use. ENERGY: 2935200 735.9004 2085.0084 1957.1731 110.8129 -205704.4565 17610.8459 0.0000 0.0000 34238.2900 -148966.4258 299.0115 -183204.7158 -148868.3819 299.5210 -17.4265 11.9025 558330.9940 -7.3237 -7.5586 PRESSURE: 2935400 36.796 -132.898 143.308 -132.898 -60.6 12.1603 143.307 12.1602 144.883 GPRESSURE: 2935400 70.1921 -128.765 133.202 -99.0733 -16.4881 26.923 74.1338 73.7486 145.643 PRESSAVG: 2935400 61.5345 -34.2745 87.5326 -34.2745 -73.2157 52.3971 87.5326 52.3971 9.13201 GPRESSAVG: 2935400 61.4199 -32.4288 87.869 -38.0481 -74.2606 50.5596 87.2493 52.618 10.0814 TIMING: 2935400 CPU: 8506.97, 0.00290106/step Wall: 8506.97, 0.00290106/step, 1.66376 hours remaining, 210.414062 MB of memory in use. ENERGY: 2935400 740.9218 2101.4419 1933.5810 123.0168 -206171.8272 17930.8641 0.0000 0.0000 34285.0869 -149056.9146 299.4202 -183342.0015 -148965.2758 299.3844 40.3597 66.4492 557401.5831 -0.8497 -0.9197 PRESSURE: 2935600 -39.3222 -70.7799 55.3936 -70.7813 -333.583 109.33 55.3942 109.33 -203.217 GPRESSURE: 2935600 -18.4399 -67.5384 23.1524 35.2075 -279.525 76.6199 94.9047 140.164 -182.283 PRESSAVG: 2935600 16.3759 -78.5331 9.04125 -78.5331 -0.175021 16.546 9.04117 16.5459 -24.5459 GPRESSAVG: 2935600 16.5164 -80.7085 6.07743 -77.143 0.889022 15.2637 10.85 17.0738 -25.4021 TIMING: 2935600 CPU: 8507.55, 0.0028907/step Wall: 8507.55, 0.0028907/step, 1.65766 hours remaining, 210.414062 MB of memory in use. ENERGY: 2935600 750.5343 2044.7326 1954.0045 98.6065 -205908.7253 17642.9372 0.0000 0.0000 34339.9676 -149077.9425 299.8995 -183417.9102 -148983.9549 300.0368 -192.0409 -160.0826 559335.3732 -2.7817 -2.6656 PRESSURE: 2935800 54.5668 -93.021 54.9366 -93.0197 5.53437 31.2764 54.9353 31.2782 -9.00853 GPRESSURE: 2935800 98.9512 -87.2201 -19.3889 -90.0054 11.3018 56.9014 136.075 105.68 41.1367 PRESSAVG: 2935800 -3.89375 -20.3947 1.0704 -20.3946 -7.53141 39.399 1.07046 39.3989 -8.72528 GPRESSAVG: 2935800 -3.79576 -20.1577 1.35144 -19.7177 -7.60423 40.4041 1.49498 39.9743 -8.82279 TIMING: 2935800 CPU: 8508.13, 0.00288848/step Wall: 8508.13, 0.00288848/step, 1.65622 hours remaining, 210.414062 MB of memory in use. ENERGY: 2935800 749.4781 2155.9315 1961.0109 119.9862 -205920.4942 17785.1745 0.0000 0.0000 34112.8344 -149036.0785 297.9159 -183148.9129 -148943.1919 299.4191 17.0309 50.4632 558113.9397 -6.7168 -6.7409 PRESSURE: 2936000 381.237 -68.7566 -92.1974 -68.7553 169.384 78.3367 -92.1965 78.3374 70.8109 GPRESSURE: 2936000 434.027 -32.6364 -99.7112 -11.0676 213.821 19.6875 -157.452 129.93 76.0513 PRESSAVG: 2936000 18.7968 -29.6774 -17.0638 -29.6774 -70.6539 26.4558 -17.0638 26.4558 33.5513 GPRESSAVG: 2936000 19.162 -30.5172 -17.5703 -29.0025 -71.4246 24.5863 -16.5257 27.7859 33.663 TIMING: 2936000 CPU: 8508.71, 0.00288686/step Wall: 8508.71, 0.00288686/step, 1.65513 hours remaining, 210.414062 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: 2936000 724.8357 2139.3871 1959.2835 100.2093 -206350.6415 17958.3392 0.0000 0.0000 34215.1519 -149253.4350 298.8094 -183468.5868 -149150.1609 298.9431 207.1442 241.2998 556835.9354 -6.1020 -6.1999 PRESSURE: 2936200 43.549 -63.8952 48.1724 -63.895 -284.424 -146.73 48.1747 -146.73 44.9412 GPRESSURE: 2936200 46.1022 -93.9871 40.1968 -84.2191 -219.638 -55.1257 82.2832 -137.395 73.6821 PRESSAVG: 2936200 58.7142 7.14981 -6.59196 7.14978 -29.4691 39.669 -6.59191 39.669 -27.7742 GPRESSAVG: 2936200 56.7039 7.09342 -5.52044 6.31494 -28.8809 40.6286 -5.52356 39.4799 -26.587 TIMING: 2936200 CPU: 8509.29, 0.00292757/step Wall: 8509.29, 0.00292757/step, 1.67831 hours remaining, 210.414062 MB of memory in use. ENERGY: 2936200 711.9758 2099.7761 1965.0988 113.8727 -206176.8724 17854.4555 0.0000 0.0000 34192.8181 -149238.8754 298.6144 -183431.6935 -149142.5841 298.6389 -65.3111 -33.2847 559336.9022 0.4903 0.4120 LDB: ============= START OF LOAD BALANCING ============== 8512.68 LDB: ============== END OF LOAD BALANCING =============== 8512.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8512.68 LDB: ============= START OF LOAD BALANCING ============== 8512.97 LDB: Largest compute 4801 load 0.025941 is 22.0% of average load 0.117867 LDB: Average compute 0.001738 is 1.5% of average load 0.117867 LDB: TIME 8512.98 LOAD: AVG 0.117867 MAX 0.177497 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.699 MB LDB: TIME 8512.98 LOAD: AVG 0.117867 MAX 0.177497 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 8512.98 LOAD: AVG 0.117867 MAX 0.177497 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8512.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8512.98 PRESSURE: 2936400 -340.177 -31.1952 -196.95 -31.1949 154.118 -28.4811 -196.949 -28.4799 99.8833 GPRESSURE: 2936400 -270.925 42.4613 -124.847 -9.94719 150.642 8.40815 -143.793 14.1856 139.398 PRESSAVG: 2936400 -14.1419 1.10696 27.5634 1.10692 -25.9064 -36.8859 27.5635 -36.8859 63.6366 GPRESSAVG: 2936400 -12.0317 -0.167316 28.5942 1.69954 -25.7397 -35.8107 26.1441 -37.9639 61.5618 TIMING: 2936400 CPU: 8509.89, 0.00296744/step Wall: 8509.89, 0.00296744/step, 1.701 hours remaining, 209.515625 MB of memory in use. ENERGY: 2936400 717.3208 2096.1423 1969.3158 115.9320 -206141.5910 17568.0288 0.0000 0.0000 34313.9328 -149360.9185 299.6721 -183674.8513 -149250.6637 299.2764 -28.7253 6.3718 556823.3158 7.8627 7.9301 PRESSURE: 2936600 -227.757 74.4748 57.1758 74.4741 -79.8311 -23.0229 57.1753 -23.0212 303.066 GPRESSURE: 2936600 -227.666 -6.75862 60.9655 78.3286 -19.7762 -24.9954 50.3068 -26.5475 339.849 PRESSAVG: 2936600 -49.9411 -19.8178 3.20453 -19.8178 58.9451 -22.5195 3.20451 -22.5195 -26.8923 GPRESSAVG: 2936600 -51.9454 -19.0395 2.38511 -18.6273 57.3898 -22.3571 4.05346 -24.1758 -23.5859 TIMING: 2936600 CPU: 8510.47, 0.00290681/step Wall: 8510.47, 0.00290681/step, 1.66609 hours remaining, 209.515625 MB of memory in use. ENERGY: 2936600 739.5923 2104.6490 1997.3605 102.5667 -206339.8093 17930.8387 0.0000 0.0000 34112.1771 -149352.6250 297.9101 -183464.8021 -149245.7837 298.8162 -1.5075 30.8024 556922.0023 -5.9627 -6.0472 PRESSURE: 2936800 -228.845 70.4345 34.9221 70.4339 90.0084 -26.762 34.9227 -26.7619 113.935 GPRESSURE: 2936800 -150.005 56.9022 -10.0126 22.7352 103.219 -16.0987 -15.5884 -130.483 127.863 PRESSAVG: 2936800 -92.3288 2.65544 3.33727 2.65529 26.7071 4.66423 3.33723 4.66414 36.1711 GPRESSAVG: 2936800 -91.0497 3.5872 5.92942 -0.578728 27.2846 4.61856 1.66166 4.1234 34.4109 TIMING: 2936800 CPU: 8511.04, 0.00288343/step Wall: 8511.04, 0.00288343/step, 1.65253 hours remaining, 209.515625 MB of memory in use. ENERGY: 2936800 737.2962 2140.4740 1969.4456 106.1000 -206477.8975 18007.2542 0.0000 0.0000 34410.9259 -149106.4017 300.5192 -183517.3275 -149009.5726 298.8656 -8.3005 27.0260 557351.9831 -9.8169 -9.7847 PRESSURE: 2937000 -11.9454 63.7809 27.8689 63.7797 -24.6954 -52.4118 27.8684 -52.4128 -99.3802 GPRESSURE: 2937000 12.3027 21.9006 93.5142 50.72 19.6673 -79.7328 34.3131 -33.3361 -72.5646 PRESSAVG: 2937000 -60.0271 -21.4183 56.908 -21.4182 44.7279 32.7582 56.9079 32.7581 13.5734 GPRESSAVG: 2937000 -59.0106 -20.4853 56.4958 -21.9118 43.6641 33.3449 56.7354 32.8844 13.5603 TIMING: 2937000 CPU: 8511.62, 0.00289976/step Wall: 8511.62, 0.00289976/step, 1.66172 hours remaining, 209.515625 MB of memory in use. ENERGY: 2937000 770.5843 2121.4732 1983.0827 113.2663 -206106.2297 17785.5873 0.0000 0.0000 34179.1336 -149153.1024 298.4949 -183332.2360 -149052.0454 299.7751 -45.3403 -13.5316 555852.7628 -0.5752 -0.5954 PRESSURE: 2937200 -271.027 25.8186 33.5073 25.8183 -77.4375 -198.412 33.5074 -198.412 48.2421 GPRESSURE: 2937200 -230.869 40.6231 50.6428 2.63713 -76.2556 -211.034 18.2897 -171.688 103.98 PRESSAVG: 2937200 -2.1157 13.1848 -2.2539 13.1847 45.2192 -13.7793 -2.25392 -13.7793 -8.33641 GPRESSAVG: 2937200 -3.2573 11.1265 -3.77142 17.244 45.5576 -15.7498 -0.73163 -12.982 -7.23639 TIMING: 2937200 CPU: 8512.21, 0.00291111/step Wall: 8512.21, 0.00291111/step, 1.66806 hours remaining, 209.515625 MB of memory in use. ENERGY: 2937200 749.9684 2138.7553 1981.6752 113.1960 -205900.6579 17477.5182 0.0000 0.0000 34411.7455 -149027.7993 300.5263 -183439.5449 -148934.9224 299.9544 -100.0743 -67.7148 555399.1969 11.5890 11.6880 PRESSURE: 2937400 174.619 99.7759 -36.9757 99.775 -82.3148 -8.34123 -36.9766 -8.34273 -27.6265 GPRESSURE: 2937400 195.459 -30.1961 -18.5041 91.0776 -39.2454 20.6671 -108.079 -0.72264 -3.89406 PRESSAVG: 2937400 4.70581 40.2639 5.50818 40.2638 -17.3284 -56.2875 5.50812 -56.2875 0.994323 GPRESSAVG: 2937400 5.56541 39.3472 5.96363 39.3691 -16.5816 -55.6392 4.20205 -56.5236 -0.572413 TIMING: 2937400 CPU: 8512.79, 0.00292364/step Wall: 8512.79, 0.00292364/step, 1.67508 hours remaining, 209.515625 MB of memory in use. ENERGY: 2937400 747.3696 2071.6358 1979.0397 120.3450 -206080.1317 17816.3300 0.0000 0.0000 34280.6442 -149064.7674 299.3814 -183345.4116 -148958.6935 299.3210 21.5594 50.7732 556282.5996 -3.8761 -3.8629 PRESSURE: 2937600 -74.3911 -114.96 9.16553 -114.959 182.298 -67.5845 9.16325 -67.5837 25.5498 GPRESSURE: 2937600 -13.3214 -99.7488 -67.1566 -81.7345 157.34 -100.525 44.392 -118.404 97.3739 PRESSAVG: 2937600 -26.2273 10.8061 -80.8253 10.8061 46.6597 -3.30408 -80.8253 -3.30413 -32.0773 GPRESSAVG: 2937600 -26.7955 10.6952 -82.0405 9.14577 46.6373 -0.602702 -78.3244 -4.47668 -31.2939 TIMING: 2937600 CPU: 8513.37, 0.00290554/step Wall: 8513.37, 0.00290554/step, 1.66455 hours remaining, 209.515625 MB of memory in use. ENERGY: 2937600 784.0698 2111.1766 1967.1591 119.3590 -206512.8764 17985.8142 0.0000 0.0000 34346.9573 -149198.3403 299.9605 -183545.2976 -149097.6901 299.4237 44.4855 80.4643 556407.6094 -3.8816 -3.8174 PRESSURE: 2937800 -67.3786 94.309 107.648 94.3079 -198.729 -64.6607 107.649 -64.6595 4.26826 GPRESSURE: 2937800 -8.00093 61.0019 53.226 141.394 -188.602 -116.96 137.389 -104.444 37.8633 PRESSAVG: 2937800 -31.1228 18.6695 -72.9314 18.6695 3.10989 2.51633 -72.9313 2.51642 52.2716 GPRESSAVG: 2937800 -30.9716 21.3584 -73.7542 18.724 3.32361 -1.0211 -73.6403 6.08776 52.1246 TIMING: 2937800 CPU: 8513.96, 0.00291375/step Wall: 8513.96, 0.00291375/step, 1.66909 hours remaining, 209.515625 MB of memory in use. ENERGY: 2937800 752.4181 2083.5587 1975.1438 126.2711 -206264.5327 17621.7895 0.0000 0.0000 34402.2744 -149303.0772 300.4436 -183705.3516 -149211.4696 299.0431 -87.2797 -52.9132 556793.4394 8.0862 8.1589 PRESSURE: 2938000 118.391 55.8423 62.6964 55.8427 102.276 -43.8015 62.6974 -43.8015 -69.2826 GPRESSURE: 2938000 128.828 8.31606 89.1984 48.3239 158.995 -67.8419 107.983 19.0528 -42.3022 PRESSAVG: 2938000 13.4698 3.82582 -23.2284 3.82582 7.01758 12.8521 -23.2284 12.8521 44.418 GPRESSAVG: 2938000 13.1598 0.565671 -21.1041 5.83609 6.10137 13.8374 -23.062 11.408 45.3089 TIMING: 2938000 CPU: 8514.54, 0.00292941/step Wall: 8514.54, 0.00292941/step, 1.6779 hours remaining, 209.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2938000 760.0452 2109.1861 1961.1973 133.1816 -206456.2629 17965.4037 0.0000 0.0000 34409.1168 -149118.1321 300.5034 -183527.2489 -149023.7797 299.4960 50.4614 81.8404 556707.2574 21.6351 21.5234 PRESSURE: 2938200 -105.019 -79.9849 113.816 -79.986 -70.3474 -145.269 113.815 -145.27 -136.804 GPRESSURE: 2938200 -57.0515 -88.8229 42.1046 -154.78 -40.6808 -142.125 175.222 -75.0851 -122.192 PRESSAVG: 2938200 -54.0778 -61.2385 80.8907 -61.2385 47.6293 59.8587 80.8906 59.8586 36.3597 GPRESSAVG: 2938200 -53.5314 -57.9875 80.6725 -63.9957 47.9676 62.4048 79.8047 59.8886 35.7126 TIMING: 2938200 CPU: 8515.13, 0.00292221/step Wall: 8515.13, 0.00292221/step, 1.67361 hours remaining, 209.515625 MB of memory in use. ENERGY: 2938200 756.0037 2099.0029 1984.4994 116.5585 -206259.1639 17747.5723 0.0000 0.0000 34276.2099 -149279.3172 299.3427 -183555.5271 -149186.2411 299.7236 -104.0567 -73.3079 557165.2853 9.9704 10.0496 PRESSURE: 2938400 -204.934 -21.5041 -55.9706 -21.503 -283.312 83.6582 -55.9708 83.6601 -4.51783 GPRESSURE: 2938400 -143.402 37.0406 -57.5346 -23.3741 -244.014 36.5686 -5.76189 139.471 -14.3367 PRESSAVG: 2938400 -53.0243 22.0679 14.9064 22.0678 53.989 16.5001 14.9063 16.5001 5.70972 GPRESSAVG: 2938400 -52.6564 22.0253 13.4257 24.8513 54.6759 13.4857 15.4699 17.9367 5.04162 TIMING: 2938400 CPU: 8515.71, 0.00291215/step Wall: 8515.71, 0.00291215/step, 1.66769 hours remaining, 209.515625 MB of memory in use. ENERGY: 2938400 759.6142 2141.5855 1992.8138 95.2306 -206407.8178 17801.8061 0.0000 0.0000 34405.8661 -149210.9015 300.4750 -183616.7676 -149117.6450 299.5266 -164.2545 -133.9175 557355.9515 2.2248 2.3537 PRESSURE: 2938600 -235.043 -58.5132 37.8775 -58.513 -137.954 106 37.8781 106 -84.1028 GPRESSURE: 2938600 -136.116 -113.447 -1.37893 -46.7189 -132.223 96.6132 20.2116 157.529 -92.8323 PRESSAVG: 2938600 -40.2974 30.16 2.44209 30.1602 -0.0989844 60.8662 2.442 60.8663 28.3261 GPRESSAVG: 2938600 -40.0312 29.3307 3.44192 29.3482 -0.975684 62.1355 2.01882 56.9833 28.2138 TIMING: 2938600 CPU: 8516.29, 0.00292947/step Wall: 8516.29, 0.00292947/step, 1.67745 hours remaining, 209.515625 MB of memory in use. ENERGY: 2938600 750.1066 2048.8346 1994.7429 121.3722 -206251.7846 17717.5619 0.0000 0.0000 34242.7772 -149376.3891 299.0507 -183619.1663 -149279.4818 299.1379 -152.3668 -120.3904 559349.8034 -4.0234 -4.2644 PRESSURE: 2938800 -276.836 75.1316 178.603 75.1309 -27.0797 -269.763 178.602 -269.764 -71.0072 GPRESSURE: 2938800 -220.56 108.574 141.835 52.6674 -24.6975 -295.392 108.59 -206.249 -45.1524 PRESSAVG: 2938800 -32.6533 -1.03723 39.1704 -1.03727 36.6286 -3.47072 39.1704 -3.47072 -19.5363 GPRESSAVG: 2938800 -32.8976 0.87666 41.4009 -2.9677 36.7487 -4.23486 37.9213 -2.2236 -19.2129 TIMING: 2938800 CPU: 8516.88, 0.00294595/step Wall: 8516.88, 0.00294595/step, 1.68672 hours remaining, 209.515625 MB of memory in use. ENERGY: 2938800 732.8942 2089.7924 1963.8848 119.3919 -206376.0503 17852.6658 0.0000 0.0000 34183.6797 -149433.7414 298.5346 -183617.4211 -149334.7576 298.6648 -124.9744 -96.8034 558496.2893 -5.1870 -5.1206 PRESSURE: 2939000 32.1554 -167.609 -133.993 -167.609 -120.761 -89.4392 -133.992 -89.4389 -317.583 GPRESSURE: 2939000 4.75297 -98.9284 -90.8505 -189.422 -92.9668 -116.08 -140.863 -133.928 -226.777 PRESSAVG: 2939000 22.7152 -16.2568 -0.789905 -16.2568 21.9092 20.875 -0.789884 20.8751 3.35177 GPRESSAVG: 2939000 22.1468 -17.1664 -3.7494 -16.0482 21.543 21.6365 0.113585 21.2117 4.58364 TIMING: 2939000 CPU: 8517.47, 0.00293181/step Wall: 8517.47, 0.00293181/step, 1.67846 hours remaining, 209.515625 MB of memory in use. ENERGY: 2939000 725.7089 2053.3527 1963.7562 115.4033 -205971.5853 17500.6769 0.0000 0.0000 34161.8777 -149450.8095 298.3442 -183612.6872 -149345.2365 298.4726 -135.3962 -104.9969 558230.2292 15.9921 16.0911 PRESSURE: 2939200 84.2534 -59.3312 114.576 -59.3314 -127.697 86.7374 114.576 86.7372 -124.802 GPRESSURE: 2939200 133.223 -50.428 102.671 27.7205 -89.4809 61.9873 72.3827 60.14 -119.116 PRESSAVG: 2939200 24.2855 -90.6969 -19.8572 -90.6969 -16.1562 21.4169 -19.8572 21.4168 -54.1598 GPRESSAVG: 2939200 24.7514 -89.868 -19.2631 -90.3316 -16.0118 20.3498 -18.0798 21.8359 -55.2041 TIMING: 2939200 CPU: 8518.06, 0.00294046/step Wall: 8518.06, 0.00294046/step, 1.68325 hours remaining, 209.515625 MB of memory in use. ENERGY: 2939200 731.5903 2085.3967 1937.8722 119.6866 -206238.0322 17755.9597 0.0000 0.0000 34074.4262 -149533.1005 297.5804 -183607.5267 -149440.0514 297.1390 -56.0818 -25.1247 558212.6984 -15.3435 -15.4882 PRESSURE: 2939400 76.1874 -54.6026 4.61814 -54.6037 -47.1167 12.6475 4.61644 12.6487 -335.352 GPRESSURE: 2939400 89.7569 -13.1203 -26.6869 -55.0789 -11.5881 48.9369 91.4529 10.359 -295.128 PRESSAVG: 2939400 16.3534 -20.9588 11.1764 -20.9587 50.3013 62.5045 11.1766 62.5046 -40.3313 GPRESSAVG: 2939400 17.0246 -20.5141 13.9436 -21.4151 49.7143 64.6675 9.56539 62.8603 -40.2733 TIMING: 2939400 CPU: 8518.64, 0.00292019/step Wall: 8518.64, 0.00292019/step, 1.67149 hours remaining, 209.515625 MB of memory in use. ENERGY: 2939400 735.0198 2114.4058 1935.7092 113.9308 -206017.2221 17680.0831 0.0000 0.0000 33977.5958 -149460.4776 296.7348 -183438.0734 -149364.4388 298.2376 -102.0937 -72.3199 557418.3579 8.7745 8.8219 PRESSURE: 2939600 295.852 -39.0436 -6.28718 -39.0418 -39.6287 -65.7775 -6.28704 -65.7789 102.102 GPRESSURE: 2939600 329.372 -63.4171 -7.97851 -7.11939 -13.892 -160.133 -83.8589 -13.0225 148.088 PRESSAVG: 2939600 6.17566 -73.8339 27.5617 -73.8339 -90.6349 16.0406 27.5618 16.0407 79.3222 GPRESSAVG: 2939600 5.27398 -73.389 25.0142 -73.7714 -90.1856 14.0696 28.251 15.7722 79.3044 TIMING: 2939600 CPU: 8519.22, 0.00290888/step Wall: 8519.22, 0.00290888/step, 1.66485 hours remaining, 209.515625 MB of memory in use. ENERGY: 2939600 755.6705 2088.6223 1959.8664 116.3616 -206271.3432 17897.3939 0.0000 0.0000 34197.6073 -149255.8210 298.6562 -183453.4283 -149159.5924 298.4032 119.4418 154.5227 556746.5819 -1.7124 -1.8691 PRESSURE: 2939800 16.8718 64.6287 -42.6887 64.6289 -74.6454 64.0217 -42.6878 64.0237 -34.0092 GPRESSURE: 2939800 28.577 106.235 -95.5017 66.541 -51.7801 85.4484 -18.1546 61.2245 26.9568 PRESSAVG: 2939800 7.36576 13.5941 22.9736 13.5941 -46.5554 -10.8184 22.9736 -10.8184 -35.4529 GPRESSAVG: 2939800 7.33951 11.5111 24.7652 15.7388 -45.5077 -9.36056 22.1134 -11.6459 -36.9915 TIMING: 2939800 CPU: 8519.8, 0.00290032/step Wall: 8519.8, 0.00290032/step, 1.65979 hours remaining, 209.515625 MB of memory in use. ENERGY: 2939800 776.8150 2083.1527 1975.9272 102.5285 -206355.0532 17659.4926 0.0000 0.0000 34249.9333 -149507.2038 299.1132 -183757.1371 -149402.4210 299.3175 -30.5943 1.2512 556465.9816 -24.8809 -25.0532 PRESSURE: 2940000 -21.4837 21.8102 149.431 21.8095 101.746 -29.2746 149.43 -29.2742 171.869 GPRESSURE: 2940000 79.6411 -46.8096 108.826 47.5681 95.7189 54.9769 148.868 -27.6251 181.016 PRESSAVG: 2940000 -28.2757 25.4622 26.8095 25.4621 30.5647 7.04526 26.8096 7.04525 -14.1478 GPRESSAVG: 2940000 -27.4338 25.689 24.4547 23.4067 29.3915 7.0713 27.9747 8.21191 -14.4082 TIMING: 2940000 CPU: 8520.39, 0.00291166/step Wall: 8520.39, 0.00291166/step, 1.66612 hours remaining, 209.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2940000 748.3691 2067.8330 1956.9523 114.6959 -206803.7433 18246.7518 0.0000 0.0000 34181.3105 -149487.8307 298.5139 -183669.1412 -149393.1503 298.4085 84.0438 118.7920 555968.2165 -3.9529 -4.1502 PRESSURE: 2940200 -6.64556 -139.245 19.8265 -139.245 170.567 88.3615 19.8271 88.3627 -248.38 GPRESSURE: 2940200 -29.6043 -131.119 19.2034 -138.896 159.079 3.19903 70.8677 137.394 -115.844 PRESSAVG: 2940200 -47.3047 -19.5834 -7.83512 -19.5834 36.0411 30.9747 -7.83504 30.9747 43.9692 GPRESSAVG: 2940200 -48.5303 -20.5077 -8.65936 -18.2648 36.3121 29.7901 -6.4507 29.6588 45.4383 TIMING: 2940200 CPU: 8520.97, 0.00291636/step Wall: 8520.97, 0.00291636/step, 1.66864 hours remaining, 209.515625 MB of memory in use. ENERGY: 2940200 786.6656 2065.8554 1949.9029 116.3918 -206445.3537 17833.7353 0.0000 0.0000 34259.8818 -149432.9208 299.2001 -183692.8026 -149337.6345 298.5040 -28.1530 4.5435 556623.4173 10.9019 11.0734 LDB: ============= START OF LOAD BALANCING ============== 8524.36 LDB: ============== END OF LOAD BALANCING =============== 8524.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8524.36 LDB: ============= START OF LOAD BALANCING ============== 8524.65 LDB: Largest compute 4800 load 0.027748 is 23.5% of average load 0.117971 LDB: Average compute 0.001735 is 1.5% of average load 0.117971 LDB: TIME 8524.65 LOAD: AVG 0.117971 MAX 0.18196 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.531 MB LDB: TIME 8524.65 LOAD: AVG 0.117971 MAX 0.18196 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.531 MB LDB: TIME 8524.65 LOAD: AVG 0.117971 MAX 0.18196 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.531 MB LDB: ============== END OF LOAD BALANCING =============== 8524.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8524.66 PRESSURE: 2940400 -171.241 118.019 -41.0649 118.02 12.9921 -75.5455 -41.0651 -75.544 135.283 GPRESSURE: 2940400 -122.353 150.942 -80.9603 39.8109 32.0285 -35.4859 -24.7088 -119.96 165.438 PRESSAVG: 2940400 -92.1763 13.5806 23.1999 13.5806 3.24773 26.0882 23.1998 26.0882 85.0312 GPRESSAVG: 2940400 -91.9262 15.8824 23.731 12.5142 3.03455 26.8164 21.0159 27.7534 85.4967 TIMING: 2940400 CPU: 8521.56, 0.00297229/step Wall: 8521.56, 0.00297229/step, 1.70048 hours remaining, 208.824219 MB of memory in use. ENERGY: 2940400 749.7236 2073.0684 1977.7049 124.9376 -206607.0657 17900.2310 0.0000 0.0000 34343.9733 -149437.4268 299.9345 -183781.4001 -149342.2453 298.6954 -7.6552 25.0377 558012.1601 -1.2991 -1.1317 PRESSURE: 2940600 -403.664 16.3151 76.4786 16.3159 -31.349 159.901 76.4774 159.903 -95.4695 GPRESSURE: 2940600 -353.743 1.81449 79.8316 -58.3166 -1.57437 132.134 67.7188 152.446 -72.6609 PRESSAVG: 2940600 -77.208 -25.265 -14.053 -25.265 6.27755 5.036 -14.053 5.03609 63.3102 GPRESSAVG: 2940600 -77.0941 -27.9189 -13.1857 -24.58 6.98184 5.28345 -13.6014 3.62433 62.8964 TIMING: 2940600 CPU: 8522.14, 0.00285953/step Wall: 8522.14, 0.00285953/step, 1.63581 hours remaining, 208.824219 MB of memory in use. ENERGY: 2940600 745.8478 2100.5628 1951.9572 115.4285 -205999.5221 17641.9265 0.0000 0.0000 34113.7427 -149330.0567 297.9238 -183443.7994 -149233.6238 298.5357 -176.8275 -142.6595 559491.5723 -2.5401 -2.4053 PRESSURE: 2940800 -252.125 32.5158 -15.2168 32.5148 -296.354 -39.8697 -15.2161 -39.8691 -37.2574 GPRESSURE: 2940800 -188.714 0.164054 -81.3377 72.2845 -277.475 -61.8532 63.3997 -1.28248 -26.7319 PRESSAVG: 2940800 15.4503 11.3527 -49.8952 11.3527 51.6407 -16.5382 -49.8951 -16.5382 -39.3738 GPRESSAVG: 2940800 14.0636 12.9182 -48.996 10.6573 52.7614 -16.2667 -50.1013 -15.8855 -39.0619 TIMING: 2940800 CPU: 8522.71, 0.00289546/step Wall: 8522.71, 0.00289546/step, 1.6562 hours remaining, 209.027344 MB of memory in use. ENERGY: 2940800 764.7090 2053.8654 1987.0230 119.8891 -206054.9451 17607.1991 0.0000 0.0000 34047.7449 -149474.5145 297.3474 -183522.2595 -149372.0271 298.3989 -195.2455 -164.3067 557375.7050 9.2391 9.2544 PRESSURE: 2941000 -210.246 65.5709 51.1468 65.5711 -389.537 -61.1108 51.1474 -61.1095 -236.925 GPRESSURE: 2941000 -162.063 81.2062 -15.1575 100.881 -327.231 -92.002 -16.1858 -51.9061 -242.416 PRESSAVG: 2941000 -24.9436 59.0336 0.782675 59.0335 20.0438 -1.64409 0.782677 -1.64419 -4.72176 GPRESSAVG: 2941000 -23.1789 59.4463 -0.617046 58.8151 18.7696 -2.60605 1.68278 -1.15068 -5.38237 TIMING: 2941000 CPU: 8523.3, 0.00290394/step Wall: 8523.3, 0.00290394/step, 1.66089 hours remaining, 209.027344 MB of memory in use. ENERGY: 2941000 747.8656 2101.1133 1960.9266 114.1271 -205741.5855 17292.9637 0.0000 0.0000 34134.9932 -149389.5959 298.1094 -183524.5891 -149294.3467 298.2519 -278.9030 -243.9033 558224.6873 -3.2072 -3.2639 PRESSURE: 2941200 -4.33681 -56.0798 26.7174 -56.0775 -40.4796 -7.99549 26.7173 -7.99601 113.281 GPRESSURE: 2941200 -53.5478 -57.0194 109.597 -39.736 -11.6254 -26.8026 6.64456 -101.255 220.582 PRESSAVG: 2941200 1.91778 4.28972 -20.7747 4.28963 -7.36646 -3.98369 -20.7746 -3.98362 -11.9228 GPRESSAVG: 2941200 0.992398 3.58742 -21.168 5.73454 -8.24576 -2.64576 -20.7665 -4.53958 -10.3388 TIMING: 2941200 CPU: 8523.88, 0.00291012/step Wall: 8523.88, 0.00291012/step, 1.66427 hours remaining, 209.027344 MB of memory in use. ENERGY: 2941200 780.8738 2093.4413 1961.5085 108.6163 -206211.7286 17877.9438 0.0000 0.0000 34069.5981 -149319.7468 297.5383 -183389.3449 -149226.1114 298.5143 22.8214 51.8030 557530.1708 -5.7905 -5.8640 PRESSURE: 2941400 -59.5495 146.291 -105.925 146.291 95.2988 24.1937 -105.925 24.194 139.043 GPRESSURE: 2941400 -24.7239 103.642 -175.88 128.093 158.827 -5.03584 -64.9991 47.5022 131.97 PRESSAVG: 2941400 8.27323 6.38594 13.391 6.38583 41.8983 -16.739 13.3909 -16.7391 -9.13453 GPRESSAVG: 2941400 8.55935 5.94217 13.9398 5.29536 42.9229 -16.6804 14.7874 -15.5719 -10.3046 TIMING: 2941400 CPU: 8524.46, 0.00289723/step Wall: 8524.46, 0.00289723/step, 1.65673 hours remaining, 209.027344 MB of memory in use. ENERGY: 2941400 723.5519 2140.0773 1958.7506 115.8144 -206225.0793 17882.2531 0.0000 0.0000 34153.3040 -149251.3281 298.2693 -183404.6321 -149157.2930 298.8736 58.2641 88.6909 558528.7987 13.6790 13.7259 PRESSURE: 2941600 57.5937 70.3388 99.6177 70.3371 -43.86 -55.843 99.6168 -55.8435 178.143 GPRESSURE: 2941600 22.6871 106.247 148.626 -7.0651 51.3324 -20.6714 55.7776 -22.7813 233.004 PRESSAVG: 2941600 26.0146 47.7621 -4.2787 47.7621 -27.6808 9.57805 -4.27859 9.57802 12.5877 GPRESSAVG: 2941600 24.8607 48.5995 -5.09313 47.9917 -25.8597 8.69271 -6.62608 9.34939 11.9213 TIMING: 2941600 CPU: 8525.04, 0.0029045/step Wall: 8525.04, 0.0029045/step, 1.66073 hours remaining, 209.027344 MB of memory in use. ENERGY: 2941600 753.3490 2130.4367 1978.3598 120.1030 -206383.3877 18007.1750 0.0000 0.0000 34052.3748 -149341.5894 297.3879 -183393.9642 -149248.6360 298.6279 63.9588 102.3413 558300.4575 3.6405 3.6408 PRESSURE: 2941800 -45.1146 115.051 -54.1329 115.049 -267.988 29.2302 -54.1321 29.2304 47.865 GPRESSURE: 2941800 -39.5452 127.615 47.3915 142.186 -196.616 0.653853 2.06904 -52.1978 77.543 PRESSAVG: 2941800 -41.5167 41.1344 13.7984 41.1344 -2.0598 -8.94074 13.7983 -8.9407 40.1109 GPRESSAVG: 2941800 -40.8432 40.0117 14.0442 41.5277 -3.15175 -10.5058 14.0444 -10.0152 40.4246 TIMING: 2941800 CPU: 8525.62, 0.0028947/step Wall: 8525.62, 0.0028947/step, 1.65496 hours remaining, 209.027344 MB of memory in use. ENERGY: 2941800 742.8172 2105.0784 1944.3867 116.3906 -206281.7574 17751.6350 0.0000 0.0000 34194.2597 -149427.1898 298.6270 -183621.4495 -149328.8237 298.8543 -88.4124 -52.8726 556802.6479 -1.1552 -1.1901 PRESSURE: 2942000 -187.804 -33.2571 -56.0056 -33.2567 -258.056 58.3089 -56.0066 58.3083 -331.051 GPRESSURE: 2942000 -150.469 26.3878 4.97674 -65.4701 -225.231 82.2835 -108.491 -32.9171 -293.176 PRESSAVG: 2942000 47.2848 -38.4656 -40.0227 -38.4656 -54.2505 32.6917 -40.0227 32.6918 37.183 GPRESSAVG: 2942000 48.0941 -39.1292 -38.3706 -37.6647 -55.1258 34.1133 -38.5672 33.2574 37.569 TIMING: 2942000 CPU: 8526.2, 0.00290481/step Wall: 8526.2, 0.00290481/step, 1.66058 hours remaining, 209.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2942000 711.9411 2123.5656 1976.1186 122.3569 -205576.5360 17402.2544 0.0000 0.0000 34042.9762 -149197.3232 297.3058 -183240.2994 -149097.3458 298.5698 -258.9703 -222.9590 558799.3911 10.0724 10.1791 PRESSURE: 2942200 -157.412 119.722 -51.5055 119.722 -124.845 -162.727 -51.506 -162.727 9.22025 GPRESSURE: 2942200 -146.55 58.1112 -4.00428 120.584 -76.4376 -101.233 -161.947 -128.367 64.4079 PRESSAVG: 2942200 12.6615 20.952 -30.7338 20.952 -38.3111 6.38661 -30.7337 6.3865 6.89759 GPRESSAVG: 2942200 12.2351 21.504 -30.5124 19.9688 -37.4764 7.09087 -30.8966 6.86958 6.64543 TIMING: 2942200 CPU: 8526.78, 0.00290518/step Wall: 8526.78, 0.00290518/step, 1.66064 hours remaining, 209.027344 MB of memory in use. ENERGY: 2942200 764.2829 2090.3559 1987.4700 109.8931 -206349.3252 17975.5409 0.0000 0.0000 34146.3549 -149275.4275 298.2086 -183421.7824 -149178.1871 298.9356 -91.0122 -52.8600 557900.7508 -6.2507 -6.1986 PRESSURE: 2942400 -138.618 -35.7199 -80.844 -35.7203 -460.855 37.3708 -80.8444 37.3711 14.9131 GPRESSURE: 2942400 -129.291 -85.5548 -17.1232 -29.1107 -399.616 -66.3358 -147.2 164.916 68.9684 PRESSAVG: 2942400 -17.793 -4.61399 27.5872 -4.61402 -9.94364 1.70914 27.5872 1.70917 22.0529 GPRESSAVG: 2942400 -17.5915 -3.39492 27.3536 -4.23367 -10.1854 0.0126283 26.4166 1.44063 22.323 TIMING: 2942400 CPU: 8527.36, 0.00290562/step Wall: 8527.36, 0.00290562/step, 1.66073 hours remaining, 209.027344 MB of memory in use. ENERGY: 2942400 762.4596 2105.7818 1986.0343 118.1654 -205928.0631 17554.6832 0.0000 0.0000 34269.6644 -149131.2743 299.2855 -183400.9387 -149034.5432 299.6117 -194.8534 -153.3127 558337.8329 -1.8946 -1.8180 PRESSURE: 2942600 -4.05852 -174.961 -41.2167 -174.961 -449.192 152.072 -41.217 152.071 24.4683 GPRESSURE: 2942600 13.6038 -165.944 -20.7726 -204.372 -437.473 108.641 -80.5524 107.25 91.2492 PRESSAVG: 2942600 18.7445 0.746403 -4.19611 0.746389 -51.5073 7.50042 -4.1961 7.50045 43.77 GPRESSAVG: 2942600 19.5735 -0.358399 -4.31115 -0.214195 -51.6106 7.70689 -5.14289 5.49298 43.407 TIMING: 2942600 CPU: 8527.94, 0.00290957/step Wall: 8527.94, 0.00290957/step, 1.66282 hours remaining, 209.027344 MB of memory in use. ENERGY: 2942600 766.8809 2114.2268 1960.8442 122.0925 -206153.0389 17773.6542 0.0000 0.0000 34281.0348 -149134.3053 299.3848 -183415.3402 -149028.1680 299.2302 -142.9274 -110.8734 558956.7555 3.6691 3.7900 PRESSURE: 2942800 -51.3684 -54.1519 40.688 -54.1502 97.4288 -152.39 40.6889 -152.391 84.501 GPRESSURE: 2942800 -76.5754 -107.099 20.749 -29.434 202.738 -171.729 60.3673 -140.206 114.73 PRESSAVG: 2942800 47.6398 16.6364 -44.3417 16.6364 -105.097 -4.78379 -44.3417 -4.78375 64.2531 GPRESSAVG: 2942800 46.341 17.3341 -43.9559 18.9372 -104.247 -4.42518 -43.721 -3.14358 64.6976 TIMING: 2942800 CPU: 8528.52, 0.00290579/step Wall: 8528.52, 0.00290579/step, 1.6605 hours remaining, 209.027344 MB of memory in use. ENERGY: 2942800 756.2672 2108.3017 1955.1988 120.3084 -206345.2660 18084.9499 0.0000 0.0000 34373.7986 -148946.4414 300.1949 -183320.2400 -148846.7368 300.2121 43.5205 80.2976 558864.5401 2.2652 2.2638 PRESSURE: 2943000 62.1704 49.2532 -21.8548 49.2528 107.016 70.5793 -21.8538 70.5783 -226.621 GPRESSURE: 2943000 56.6822 74.9282 -67.4097 54.1264 127.462 177.34 41.9985 94.4408 -147.153 PRESSAVG: 2943000 18.4575 -11.7683 -62.5321 -11.7683 -26.9234 -34.1857 -62.5321 -34.1857 6.65967 GPRESSAVG: 2943000 17.7081 -11.2896 -64.5579 -12.7628 -27.5061 -34.2789 -60.8331 -33.0449 8.38544 TIMING: 2943000 CPU: 8529.11, 0.00291557/step Wall: 8529.11, 0.00291557/step, 1.66593 hours remaining, 209.027344 MB of memory in use. ENERGY: 2943000 753.8377 2112.8403 1937.0716 106.1511 -206301.0433 17900.7213 0.0000 0.0000 34436.6214 -149053.7998 300.7436 -183490.4212 -148951.3901 299.4984 -19.1449 12.3305 558664.5655 -0.6020 -0.4708 PRESSURE: 2943200 9.6216 96.4055 -43.6036 96.4053 36.7109 71.8988 -43.604 71.8982 76.417 GPRESSURE: 2943200 68.7774 93.8983 -105.698 87.969 86.5536 88.3893 -30.1991 52.6359 54.6627 PRESSAVG: 2943200 34.0164 51.7325 -49.0069 51.7324 3.71723 -10.3338 -49.0069 -10.3337 -16.6887 GPRESSAVG: 2943200 35.4868 51.3843 -46.5937 52.2796 4.76897 -10.0334 -50.078 -11.0224 -19.2 TIMING: 2943200 CPU: 8529.69, 0.00290456/step Wall: 8529.69, 0.00290456/step, 1.65947 hours remaining, 209.027344 MB of memory in use. ENERGY: 2943200 762.6424 2065.8701 1987.4345 111.1945 -206007.5207 17811.4635 0.0000 0.0000 34164.4240 -149104.4918 298.3664 -183268.9158 -149005.2041 299.4447 40.9165 69.9979 557514.1207 7.0150 7.0186 PRESSURE: 2943400 58.8047 130.013 -69.6564 130.013 -12.5768 -116.875 -69.6561 -116.874 -51.5726 GPRESSURE: 2943400 97.0727 40.2049 -53.79 153.796 -28.1893 -104.656 -61.7246 -99.5203 19.1048 PRESSAVG: 2943400 26.076 -23.103 -23.8912 -23.1031 -53.6483 -14.0414 -23.8911 -14.0415 -27.7968 GPRESSAVG: 2943400 25.4596 -23.7159 -25.0954 -24.6537 -54.1925 -14.8926 -21.8605 -15.0394 -27.0858 TIMING: 2943400 CPU: 8530.27, 0.00292356/step Wall: 8530.27, 0.00292356/step, 1.67016 hours remaining, 209.027344 MB of memory in use. ENERGY: 2943400 757.1694 2161.3362 1960.7849 100.5521 -206506.4768 18069.0278 0.0000 0.0000 34319.6061 -149138.0004 299.7217 -183457.6065 -149047.4319 299.1540 -1.7816 29.3294 558515.7508 -18.4563 -18.6062 PRESSURE: 2943600 -168.403 -38.3979 7.94777 -38.3986 -217.549 -102.778 7.94821 -102.778 -24.5389 GPRESSURE: 2943600 -102.346 -75.4803 -4.0493 8.04197 -219.608 -48.6737 -71.0862 -159.081 0.630158 PRESSAVG: 2943600 -28.8174 18.0812 19.5062 18.0811 -3.9387 -61.2059 19.5063 -61.2059 72.8563 GPRESSAVG: 2943600 -28.9871 19.4523 19.5944 19.9008 -5.19528 -61.089 17.9673 -60.4079 73.2992 TIMING: 2943600 CPU: 8530.85, 0.00290834/step Wall: 8530.85, 0.00290834/step, 1.66131 hours remaining, 209.027344 MB of memory in use. ENERGY: 2943600 702.1045 2148.4509 1972.1638 121.2108 -205576.5294 17448.1164 0.0000 0.0000 34049.8156 -149134.6674 297.3655 -183184.4830 -149036.7330 298.3914 -136.8304 -107.1078 558851.4809 13.3667 13.0389 PRESSURE: 2943800 181.668 -35.2572 40.6387 -35.2564 102.426 -4.89736 40.6391 -4.89772 -35.1652 GPRESSURE: 2943800 178.931 -49.2578 126.694 60.0908 175.794 39.0391 -1.42871 -110.891 -15.7895 PRESSAVG: 2943800 46.571 -55.1563 23.4561 -55.1563 -46.4645 -7.44439 23.456 -7.4444 29.8031 GPRESSAVG: 2943800 47.6574 -53.7347 24.4039 -56.5941 -45.5756 -7.8316 24.0769 -7.67362 26.9733 TIMING: 2943800 CPU: 8531.43, 0.00288779/step Wall: 8531.43, 0.00288779/step, 1.64941 hours remaining, 209.027344 MB of memory in use. ENERGY: 2943800 760.4926 2161.0623 1973.7482 117.5321 -206590.7332 18085.1878 0.0000 0.0000 34452.4420 -149040.2682 300.8817 -183492.7102 -148947.5430 299.4297 82.9763 112.9786 558665.4669 9.9699 9.6851 PRESSURE: 2944000 -60.9783 14.7319 -210.205 14.7329 -56.1993 -46.6451 -210.205 -46.6447 33.3279 GPRESSURE: 2944000 -76.7784 15.9211 -242.101 14.287 -67.7608 -79.8568 -143.536 3.60107 161.552 PRESSAVG: 2944000 31.2825 -13.4734 8.6612 -13.4735 8.11311 -10.9415 8.66128 -10.9416 16.6057 GPRESSAVG: 2944000 30.2674 -14.4822 6.03095 -13.3578 8.20795 -10.2027 9.10436 -10.4361 17.7555 TIMING: 2944000 CPU: 8532.01, 0.00291634/step Wall: 8532.01, 0.00291634/step, 1.66556 hours remaining, 209.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2944000 745.0927 2105.1171 1959.2458 91.1668 -206289.7997 17982.1276 0.0000 0.0000 34169.0943 -149237.9554 298.4072 -183407.0497 -149143.8334 299.2445 -27.9499 5.6708 559433.0337 18.6671 18.7436 PRESSURE: 2944200 -193.765 -78.615 66.4866 -78.6146 -287.401 -30.7528 66.4865 -30.7538 -53.4648 GPRESSURE: 2944200 -172.411 -4.52846 65.821 -72.284 -267.379 -6.17671 98.0268 -114.083 5.26444 PRESSAVG: 2944200 -7.35857 -56.1539 2.09603 -56.154 -53.5529 11.2512 2.09591 11.2512 11.9806 GPRESSAVG: 2944200 -7.71597 -54.8723 1.2361 -57.2566 -54.3614 12.0222 2.36892 11.9973 13.1654 TIMING: 2944200 CPU: 8532.6, 0.00290984/step Wall: 8532.6, 0.00290984/step, 1.66168 hours remaining, 209.027344 MB of memory in use. ENERGY: 2944200 721.3800 2079.3019 1970.8109 117.6511 -206192.6337 17683.8925 0.0000 0.0000 34298.7138 -149320.8835 299.5392 -183619.5973 -149215.3241 299.5083 -178.2101 -144.8417 557838.0698 -16.3103 -16.3040 LDB: ============= START OF LOAD BALANCING ============== 8535.98 LDB: ============== END OF LOAD BALANCING =============== 8535.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8535.98 LDB: ============= START OF LOAD BALANCING ============== 8536.28 LDB: Largest compute 4800 load 0.027491 is 23.3% of average load 0.117877 LDB: Average compute 0.001745 is 1.5% of average load 0.117877 LDB: TIME 8536.28 LOAD: AVG 0.117877 MAX 0.180606 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.551 MB LDB: TIME 8536.28 LOAD: AVG 0.117877 MAX 0.180606 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.621 MB LDB: TIME 8536.28 LOAD: AVG 0.117877 MAX 0.180606 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.621 MB LDB: ============== END OF LOAD BALANCING =============== 8536.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8536.29 PRESSURE: 2944400 -377.175 -90.4087 24.809 -90.4097 -134.189 32.378 24.8086 32.3802 -209.672 GPRESSURE: 2944400 -347.169 -133.048 59.3665 -20.747 -153.196 55.4351 -13.0684 19.4946 -124.842 PRESSAVG: 2944400 -25.3001 -30.6898 -34.3975 -30.6898 11.5102 -1.31603 -34.3974 -1.31589 38.8436 GPRESSAVG: 2944400 -25.5886 -32.6456 -32.7734 -28.3855 12.1952 -0.172765 -35.4175 -3.40353 38.3412 TIMING: 2944400 CPU: 8533.19, 0.00297857/step Wall: 8533.19, 0.00297857/step, 1.70076 hours remaining, 209.500000 MB of memory in use. ENERGY: 2944400 760.7975 2221.3650 1961.4300 111.2136 -205796.5974 17430.3476 0.0000 0.0000 33943.7390 -149367.7046 296.4391 -183311.4436 -149275.9805 298.9631 -240.3454 -208.4023 557569.7133 8.3512 8.3159 PRESSURE: 2944600 -189.917 80.8296 15.0921 80.8297 -141.108 -60.2367 15.0919 -60.2374 -68.7889 GPRESSURE: 2944600 -75.1637 95.6264 -59.4595 64.5579 -176.238 -54.261 56.4977 -104.603 -66.0614 PRESSAVG: 2944600 -108.221 -57.5117 12.9733 -57.5118 31.4506 49.2728 12.9733 49.2729 66.1754 GPRESSAVG: 2944600 -106.683 -57.9095 15.0433 -57.8591 30.5401 47.707 12.4851 52.7793 65.9085 TIMING: 2944600 CPU: 8533.77, 0.00290651/step Wall: 8533.77, 0.00290651/step, 1.65946 hours remaining, 209.500000 MB of memory in use. ENERGY: 2944600 774.5143 2140.0524 1956.8176 114.8881 -206324.1204 17746.5882 0.0000 0.0000 34298.5327 -149292.7271 299.5376 -183591.2598 -149188.4377 298.6443 -133.2713 -105.8211 557765.1335 -3.5316 -3.4115 PRESSURE: 2944800 58.8478 -87.5986 -126.08 -87.5992 -212.469 70.7161 -126.081 70.7168 -65.0585 GPRESSURE: 2944800 95.2186 -107.226 -143.098 -1.72204 -170.914 96.0272 -107.171 90.8444 -35.37 PRESSAVG: 2944800 -44.7298 -62.499 -40.1545 -62.4989 -6.62361 4.35971 -40.1546 4.35976 -6.71981 GPRESSAVG: 2944800 -45.5311 -61.2796 -41.9389 -61.4212 -6.46518 4.57869 -38.1305 0.557213 -5.92807 TIMING: 2944800 CPU: 8534.36, 0.00292317/step Wall: 8534.36, 0.00292317/step, 1.6688 hours remaining, 209.500000 MB of memory in use. ENERGY: 2944800 745.8664 2147.3351 1958.7782 111.8398 -206620.4075 17868.9871 0.0000 0.0000 34304.0431 -149483.5578 299.5857 -183787.6010 -149390.8676 299.5332 -72.8934 -37.0218 558116.2455 -19.3577 -19.3081 PRESSURE: 2945000 114.637 48.9325 -182.727 48.9338 -59.643 112.536 -182.727 112.536 -101.022 GPRESSURE: 2945000 78.5924 57.2217 -140.505 50.6513 27.3882 178.531 -164.973 67.119 -59.5905 PRESSAVG: 2945000 17.4774 -55.1754 -72.5827 -55.1755 -10.461 -39.6761 -72.5828 -39.6762 -13.6381 GPRESSAVG: 2945000 18.3114 -56.1182 -71.3267 -58.2792 -11.2861 -41.7175 -73.1169 -37.0752 -13.4365 TIMING: 2945000 CPU: 8534.95, 0.00293966/step Wall: 8534.95, 0.00293966/step, 1.67806 hours remaining, 209.500000 MB of memory in use. ENERGY: 2945000 729.2985 2116.5266 1956.0560 108.1619 -206340.6728 17780.1029 0.0000 0.0000 34192.1787 -149458.3482 298.6088 -183650.5269 -149365.9515 299.2143 -15.3429 15.4634 558035.5047 -2.2072 -2.1371 PRESSURE: 2945200 -228.695 97.6503 -134.107 97.6515 -28.609 -55.1551 -134.107 -55.1549 -162.012 GPRESSURE: 2945200 -150.735 139.922 -66.7647 4.87701 -21.3652 -72.5316 -219.611 -31.0007 -150.49 PRESSAVG: 2945200 -4.66937 5.42173 -35.5705 5.42179 44.0605 -10.8196 -35.5705 -10.8197 -31.3539 GPRESSAVG: 2945200 -6.33415 6.23364 -37.3587 7.26503 45.0609 -9.89895 -35.6039 -11.1454 -31.0231 TIMING: 2945200 CPU: 8535.54, 0.00295443/step Wall: 8535.54, 0.00295443/step, 1.68632 hours remaining, 209.500000 MB of memory in use. ENERGY: 2945200 781.2303 2036.9346 1945.8227 111.1809 -206371.5499 17829.0953 0.0000 0.0000 34052.8985 -149614.3876 297.3924 -183667.2860 -149511.6712 298.3707 -139.7720 -107.5301 559234.5911 2.6791 2.5679 PRESSURE: 2945400 150.363 -29.8981 -30.1433 -29.899 83.1824 -197.913 -30.143 -197.914 104.209 GPRESSURE: 2945400 196.456 86.5052 -1.31079 -31.8696 125.316 -227.81 -89.083 -111.346 110.649 PRESSAVG: 2945400 -3.05247 -49.9758 -11.8311 -49.9758 50.717 11.2689 -11.8311 11.2689 -54.7223 GPRESSAVG: 2945400 -1.40462 -48.8339 -11.1358 -52.0773 49.4691 12.3136 -12.4089 10.3854 -55.7606 TIMING: 2945400 CPU: 8536.13, 0.00294464/step Wall: 8536.13, 0.00294464/step, 1.68057 hours remaining, 209.500000 MB of memory in use. ENERGY: 2945400 784.1030 2060.2292 1949.4599 112.5764 -206762.2086 18108.0890 0.0000 0.0000 34280.0216 -149467.7296 299.3760 -183747.7512 -149373.0417 297.7612 112.5849 144.1405 556223.5148 -2.3526 -2.5654 PRESSURE: 2945600 198.622 104.916 161.326 104.916 33.714 -38.135 161.327 -38.1358 1.12293 GPRESSURE: 2945600 213.498 77.9363 152.555 115.037 95.3841 20.3244 184.571 -41.6686 26.7012 PRESSAVG: 2945600 -5.32426 16.1258 -29.0518 16.1258 12.6058 31.7459 -29.0519 31.746 -11.5037 GPRESSAVG: 2945600 -5.58985 15.3318 -29.8954 17.7768 13.5467 32.5292 -29.5786 32.1028 -11.4676 TIMING: 2945600 CPU: 8536.71, 0.00292565/step Wall: 8536.71, 0.00292565/step, 1.66957 hours remaining, 209.500000 MB of memory in use. ENERGY: 2945600 690.5970 2097.4220 1960.4509 121.9868 -205709.7714 17635.5658 0.0000 0.0000 33944.0963 -149259.6527 296.4422 -183203.7490 -149166.8668 298.9194 77.8197 111.8611 557247.4660 -1.4074 -1.1703 PRESSURE: 2945800 222.404 -115.203 141.024 -115.202 -82.3117 9.64408 141.025 9.64417 154.381 GPRESSURE: 2945800 264.034 -128.628 126.254 0.79325 -36.3417 50.1662 189.71 -1.20815 158.589 PRESSAVG: 2945800 -21.7877 79.2164 13.4046 79.2164 -18.7689 3.00895 13.4045 3.00894 15.2921 GPRESSAVG: 2945800 -21.0156 79.7398 16.3651 78.2981 -20.5467 1.65323 13.5595 2.80492 15.856 TIMING: 2945800 CPU: 8537.29, 0.00291952/step Wall: 8537.29, 0.00291952/step, 1.66591 hours remaining, 209.500000 MB of memory in use. ENERGY: 2945800 702.5716 2123.0777 1952.1205 108.9236 -205974.4177 17800.1345 0.0000 0.0000 34267.1119 -149020.4778 299.2632 -183287.5898 -148925.5416 298.4818 98.1576 128.7604 556378.8730 -8.4215 -8.5688 PRESSURE: 2946000 -127.263 112.292 -22.634 112.293 -56.1267 261.695 -22.6321 261.696 -83.3994 GPRESSURE: 2946000 -139.264 167.547 -6.8307 119.577 -27.8756 258.46 -59.3476 229.41 -18.2865 PRESSAVG: 2946000 42.6679 -30.7757 47.4132 -30.7757 -69.2649 14.3283 47.4133 14.3282 5.95926 GPRESSAVG: 2946000 41.3743 -31.9002 46.5124 -29.7939 -68.6625 14.3211 49.1866 13.643 6.69338 TIMING: 2946000 CPU: 8537.88, 0.00291155/step Wall: 8537.88, 0.00291155/step, 1.6612 hours remaining, 209.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2946000 737.7774 2080.0686 1966.4257 118.0075 -205769.3543 17572.0329 0.0000 0.0000 34266.0668 -149028.9754 299.2541 -183295.0422 -148931.9147 299.7668 -88.9296 -61.8088 558197.9707 -6.8792 -6.8649 PRESSURE: 2946200 -160.358 140.774 113.026 140.773 -140.975 46.0778 113.026 46.0769 23.4951 GPRESSURE: 2946200 -104.576 90.1384 65.922 174.144 -73.3217 72.0011 87.6733 100.349 -16.6596 PRESSAVG: 2946200 -25.3928 21.7425 31.399 21.7426 2.64155 54.9883 31.399 54.9884 13.7713 GPRESSAVG: 2946200 -25.2171 21.6071 30.4251 21.0381 3.80444 56.6727 30.0412 56.3243 12.1858 TIMING: 2946200 CPU: 8538.46, 0.00290862/step Wall: 8538.46, 0.00290862/step, 1.65937 hours remaining, 209.683594 MB of memory in use. ENERGY: 2946200 745.9796 2009.8574 1961.3307 111.8409 -205624.0263 17431.4305 0.0000 0.0000 34280.7488 -149082.8383 299.3823 -183363.5871 -148982.6365 299.4763 -92.6125 -64.8525 557908.9804 -2.9933 -3.0756 PRESSURE: 2946400 412.685 180.127 184.321 180.126 -41.3286 -59.6527 184.321 -59.6512 91.4504 GPRESSURE: 2946400 402.22 191.828 206.844 132.696 41.0843 -24.176 143.444 -80.8765 126.946 PRESSAVG: 2946400 9.84488 9.54011 38.1547 9.54014 6.99113 12.8267 38.1548 12.8266 14.3896 GPRESSAVG: 2946400 10.2363 9.81634 39.0285 8.55629 6.41999 9.28809 37.6659 13.8254 14.4208 TIMING: 2946400 CPU: 8539.04, 0.0029224/step Wall: 8539.04, 0.0029224/step, 1.66707 hours remaining, 209.683594 MB of memory in use. ENERGY: 2946400 769.8111 2111.2283 1935.5494 105.5060 -206253.8611 18076.5543 0.0000 0.0000 34308.0762 -148947.1358 299.6210 -183255.2120 -148853.1690 299.0760 154.2691 190.0832 557677.3778 10.4085 10.3590 PRESSURE: 2946600 -102.082 43.4808 47.5553 43.4812 -121.511 177.849 47.5555 177.85 -80.104 GPRESSURE: 2946600 -15.6974 72.7143 -27.5547 71.6979 -124.982 153.665 67.2717 160.565 -51.6919 PRESSAVG: 2946600 18.2183 -23.1032 19.3697 -23.1032 33.757 -1.48225 19.3696 -1.48217 -23.9431 GPRESSAVG: 2946600 18.5599 -22.8769 19.598 -23.1187 33.0853 2.47721 19.1503 -1.34324 -23.6377 TIMING: 2946600 CPU: 8539.62, 0.00289743/step Wall: 8539.62, 0.00289743/step, 1.65266 hours remaining, 209.683594 MB of memory in use. ENERGY: 2946600 764.3303 2177.9877 1965.3547 113.0558 -206085.6031 17796.6085 0.0000 0.0000 34436.0693 -148832.1970 300.7388 -183268.2663 -148736.1523 300.5873 -101.2322 -64.1239 559234.4634 9.3440 9.3359 PRESSURE: 2946800 -65.4005 -75.0144 -77.1466 -75.0151 60.1758 -17.1223 -77.147 -17.1205 -386.604 GPRESSURE: 2946800 -82.0607 -87.5544 -28.62 -45.1374 83.5367 52.9462 -111.831 -8.44886 -291.287 PRESSAVG: 2946800 25.4761 -7.89211 -29.9674 -7.8921 -49.0542 26.4023 -29.9673 26.4024 0.50772 GPRESSAVG: 2946800 25.6034 -8.94177 -28.965 -7.46041 -48.6103 24.196 -29.295 26.0205 -0.520692 TIMING: 2946800 CPU: 8540.21, 0.00291473/step Wall: 8540.21, 0.00291473/step, 1.66237 hours remaining, 209.683594 MB of memory in use. ENERGY: 2946800 780.9620 2134.8200 1935.0935 100.9207 -205686.0117 17522.3939 0.0000 0.0000 34249.0696 -148962.7520 299.1056 -183211.8216 -148871.8253 300.3214 -130.6095 -96.6035 557159.6773 -7.6901 -7.8425 PRESSURE: 2947000 -140.012 100.126 -74.3128 100.126 153.835 17.8171 -74.3124 17.8172 311.935 GPRESSURE: 2947000 -97.8711 43.6388 -76.9466 83.2825 198.671 -83.4308 -121.142 82.794 305.393 PRESSAVG: 2947000 -50.5734 35.0743 15.2212 35.0742 12.6105 15.808 15.2212 15.8081 57.2314 GPRESSAVG: 2947000 -50.7592 35.5704 13.8028 35.5725 12.3129 14.0007 13.7038 15.6947 57.3504 TIMING: 2947000 CPU: 8540.79, 0.0029078/step Wall: 8540.79, 0.0029078/step, 1.65825 hours remaining, 209.683594 MB of memory in use. ENERGY: 2947000 731.2331 2151.0721 1948.0342 116.5198 -206144.5123 17918.1573 0.0000 0.0000 34283.7857 -148995.7100 299.4088 -183279.4957 -148895.7922 300.1639 108.5861 135.3976 558121.4390 6.4228 6.3014 PRESSURE: 2947200 148.764 98.4607 -79.5626 98.4606 222.984 -8.63998 -79.562 -8.64085 29.4728 GPRESSURE: 2947200 194.925 73.8814 -115.856 116.939 228.963 23.9866 74.7815 6.58691 79.1778 PRESSAVG: 2947200 -51.9373 12.2512 -13.3731 12.2512 29.4191 13.684 -13.3731 13.684 33.8196 GPRESSAVG: 2947200 -51.2301 13.0434 -12.7141 10.7853 29.103 15.9387 -11.0871 13.2862 33.4909 TIMING: 2947200 CPU: 8541.37, 0.00289322/step Wall: 8541.37, 0.00289322/step, 1.64978 hours remaining, 209.683594 MB of memory in use. ENERGY: 2947200 748.9005 2074.6780 1967.0259 116.4387 -206072.8518 17863.4611 0.0000 0.0000 34331.8770 -148970.4706 299.8288 -183302.3476 -148864.2088 300.5629 133.7404 167.6888 556035.8831 3.7672 3.7879 PRESSURE: 2947400 -132.791 37.8567 131.121 37.8569 -218.707 196.718 131.121 196.716 133.078 GPRESSURE: 2947400 -136.66 82.9788 83.1635 81.2641 -119.991 233.132 203.874 157.448 138.305 PRESSAVG: 2947400 -62.1282 2.19723 -11.1008 2.19729 45.1692 29.8514 -11.1009 29.8513 -14.9921 GPRESSAVG: 2947400 -63.9473 2.90969 -10.9925 0.276027 46.4556 29.2455 -10.9131 29.4711 -14.2537 TIMING: 2947400 CPU: 8541.95, 0.00289997/step Wall: 8541.95, 0.00289997/step, 1.65347 hours remaining, 209.683594 MB of memory in use. ENERGY: 2947400 760.3588 2157.2510 1971.1125 109.4824 -205917.3585 17748.5195 0.0000 0.0000 34348.7736 -148821.8607 299.9764 -183170.6343 -148722.4654 300.0733 -72.8066 -39.4484 559072.0307 -10.6504 -10.5818 PRESSURE: 2947600 -132.492 0.869855 76.3838 0.869708 226.207 -42.6663 76.3834 -42.6659 371.322 GPRESSURE: 2947600 -59.5838 -64.1233 21.0936 38.3314 291.101 -4.71216 119.796 12.9292 348.724 PRESSAVG: 2947600 -51.7318 35.2795 -6.08352 35.2797 -44.0148 0.598916 -6.08352 0.598946 74.1157 GPRESSAVG: 2947600 -50.8067 33.9758 -7.65096 37.4237 -44.6441 0.861577 -5.84778 0.518679 73.3044 TIMING: 2947600 CPU: 8542.53, 0.0029302/step Wall: 8542.53, 0.0029302/step, 1.67054 hours remaining, 209.683594 MB of memory in use. ENERGY: 2947600 755.0589 2079.7036 2013.0106 119.2181 -206397.5052 18137.5584 0.0000 0.0000 34359.1771 -148933.7785 300.0672 -183292.9556 -148842.3291 299.9195 155.0123 193.4137 557898.7799 -7.2103 -7.3822 PRESSURE: 2947800 -223.969 90.1697 -217.097 90.1707 -86.3289 -66.7243 -217.097 -66.7241 184.993 GPRESSURE: 2947800 -182.836 93.0028 -96.3961 177.175 -47.8335 -97.4809 -230.414 -62.6702 215.909 PRESSAVG: 2947800 -6.69768 20.3679 -17.2276 20.368 -1.58414 -29.6378 -17.2276 -29.6378 26.678 GPRESSAVG: 2947800 -6.70326 19.3745 -15.3881 22.4968 -2.33691 -29.2451 -17.4252 -30.4789 28.0814 TIMING: 2947800 CPU: 8543.11, 0.00291569/step Wall: 8543.11, 0.00291569/step, 1.66211 hours remaining, 209.683594 MB of memory in use. ENERGY: 2947800 725.4192 2117.1694 1991.5422 128.4913 -206073.2137 17913.9593 0.0000 0.0000 34259.8862 -148936.7461 299.2001 -183196.6323 -148837.6926 300.1254 -41.7683 -4.9203 558804.5170 6.1320 6.3471 PRESSURE: 2948000 -500.99 104.671 149.787 104.671 -69.7673 0.184861 149.787 0.186635 -380.515 GPRESSURE: 2948000 -505.386 113.498 99.921 30.1054 -28.2093 -32.4899 130.733 -46.4951 -321.673 PRESSAVG: 2948000 -66.0941 26.9278 10.3434 26.9277 36.2571 -16.4132 10.3434 -16.4133 22.0108 GPRESSAVG: 2948000 -65.8229 28.6716 11.1734 25.6489 36.1583 -15.9298 10.5258 -17.3295 21.7378 TIMING: 2948000 CPU: 8543.7, 0.00292664/step Wall: 8543.7, 0.00292664/step, 1.66818 hours remaining, 209.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2948000 779.2570 2069.5464 2009.2252 106.3981 -205148.8633 17216.3048 0.0000 0.0000 34170.2555 -148797.8763 298.4173 -182968.1318 -148704.3160 299.9770 -317.0907 -285.0894 558627.4985 -2.6087 -2.6422 PRESSURE: 2948200 -155.288 -35.8281 50.7244 -35.8283 -20.5504 -202.18 50.7241 -202.181 -30.0309 GPRESSURE: 2948200 -140.63 2.74187 70.5099 -86.1186 5.46943 -133.41 -8.88615 -146.298 25.5512 PRESSAVG: 2948200 12.7124 48.1135 31.5709 48.1135 7.94152 -18.1024 31.571 -18.1023 -9.344 GPRESSAVG: 2948200 14.0802 46.3049 30.6524 47.387 7.54975 -16.5589 32.1922 -17.8112 -10.1299 TIMING: 2948200 CPU: 8544.28, 0.00290824/step Wall: 8544.28, 0.00290824/step, 1.65753 hours remaining, 209.683594 MB of memory in use. ENERGY: 2948200 783.6767 2091.4958 1960.8286 109.0357 -205594.0892 17622.6565 0.0000 0.0000 34181.7216 -148844.6743 298.5175 -183026.3959 -148752.1695 300.1969 -68.6231 -36.5365 557619.3156 3.7700 3.8334 LDB: ============= START OF LOAD BALANCING ============== 8547.67 LDB: ============== END OF LOAD BALANCING =============== 8547.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8547.67 LDB: ============= START OF LOAD BALANCING ============== 8547.96 LDB: Largest compute 4800 load 0.028941 is 24.6% of average load 0.117880 LDB: Average compute 0.001752 is 1.5% of average load 0.117880 LDB: TIME 8547.96 LOAD: AVG 0.11788 MAX 0.179572 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.266 MB LDB: TIME 8547.96 LOAD: AVG 0.11788 MAX 0.179572 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: TIME 8547.96 LOAD: AVG 0.11788 MAX 0.179572 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: ============== END OF LOAD BALANCING =============== 8547.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8547.97 PRESSURE: 2948400 -93.4853 -3.81685 75.8311 -3.81754 15.0529 -84.9942 75.8315 -84.9935 -76.5376 GPRESSURE: 2948400 -80.4262 3.85005 14.7305 -6.34266 56.4579 -137.021 74.139 -99.2518 -49.6273 PRESSAVG: 2948400 -1.06798 42.0078 -20.674 42.0079 14.123 21.4149 -20.674 21.4148 -16.0997 GPRESSAVG: 2948400 -2.54247 42.735 -23.5617 43.5472 13.6117 20.043 -21.1327 22.1731 -14.4246 TIMING: 2948400 CPU: 8544.87, 0.00295852/step Wall: 8544.87, 0.00295852/step, 1.68603 hours remaining, 207.523438 MB of memory in use. ENERGY: 2948400 782.4479 2062.0925 1969.7726 120.9869 -205875.6498 17542.7956 0.0000 0.0000 34514.3869 -148883.1673 301.4227 -183397.5542 -148786.1884 300.6140 -51.6567 -24.5319 557451.0472 -1.0149 -1.1185 PRESSURE: 2948600 -175.758 8.95483 52.7796 8.95369 -207.741 115.491 52.7806 115.491 -242.614 GPRESSURE: 2948600 -141.217 -58.8272 62.7752 91.309 -186.768 127.147 47.9089 131.432 -206.411 PRESSAVG: 2948600 -3.35147 9.30284 7.13032 9.30288 23.2972 -22.7898 7.13022 -22.7897 -0.742226 GPRESSAVG: 2948600 -2.00661 10.9256 8.15948 6.56314 23.5017 -23.0809 10.2932 -20.7828 -2.63743 TIMING: 2948600 CPU: 8545.45, 0.00290307/step Wall: 8545.45, 0.00290307/step, 1.65426 hours remaining, 207.722656 MB of memory in use. ENERGY: 2948600 743.0309 2074.7288 1960.5222 101.5815 -205414.9767 17366.1628 0.0000 0.0000 34152.6800 -149016.2705 298.2638 -183168.9505 -148918.8154 299.9973 -208.7043 -178.1321 558403.7626 6.4012 6.2859 PRESSURE: 2948800 -107.703 -69.0609 99.0274 -69.0594 17.0034 -9.55469 99.027 -9.55417 26.0465 GPRESSURE: 2948800 -102.004 -107.722 139.227 -59.0018 57.5994 21.2482 42.8263 24.4998 76.0803 PRESSAVG: 2948800 44.2873 -52.1122 53.7355 -52.1122 7.19827 46.6846 53.7354 46.6845 -74.0105 GPRESSAVG: 2948800 43.1621 -53.4786 57.3336 -47.8297 8.82658 45.8648 49.7518 46.9169 -74.4736 TIMING: 2948800 CPU: 8546.03, 0.00290529/step Wall: 8546.03, 0.00290529/step, 1.65537 hours remaining, 207.722656 MB of memory in use. ENERGY: 2948800 751.9824 2090.3954 1943.3299 108.9137 -206072.7034 17782.6039 0.0000 0.0000 34430.1966 -148965.2817 300.6875 -183395.4782 -148868.9279 299.7162 -21.5510 10.5586 558813.3161 -7.5083 -7.4950 PRESSURE: 2949000 118.783 -96.5399 1.30722 -96.5396 20.4545 46.09 1.30801 46.0897 31.3325 GPRESSURE: 2949000 158.964 -107.517 27.0149 -160.193 61.5212 7.1329 -54.2517 112.122 55.2406 PRESSAVG: 2949000 40.7824 -41.3705 -7.63383 -41.3706 8.5019 -4.62034 -7.6338 -4.62033 -43.1547 GPRESSAVG: 2949000 41.3432 -39.7525 -10.6039 -43.3091 7.61229 -2.191 -7.07929 -6.95519 -42.6179 TIMING: 2949000 CPU: 8546.62, 0.0029377/step Wall: 8546.62, 0.0029377/step, 1.67367 hours remaining, 207.722656 MB of memory in use. ENERGY: 2949000 744.3623 2047.8855 1954.3494 100.0556 -206213.5937 17917.3959 0.0000 0.0000 34139.0828 -149310.4623 298.1451 -183449.5450 -149209.0650 299.2880 56.8568 91.9084 557191.4528 2.0432 2.1125 PRESSURE: 2949200 -67.6816 -134.677 -79.3048 -134.678 235.437 120.411 -79.3044 120.411 -37.9592 GPRESSURE: 2949200 -30.5175 -167.07 -11.8094 -64.2241 298.723 82.3944 -53.7024 49.8693 -36.0576 PRESSAVG: 2949200 -29.5475 -52.9996 -2.58288 -52.9995 -19.8407 55.8641 -2.58292 55.8641 3.5746 GPRESSAVG: 2949200 -29.6446 -56.2785 -1.25057 -52.5748 -18.9709 55.6918 -3.5784 56.6048 2.99336 TIMING: 2949200 CPU: 8547.2, 0.00291094/step Wall: 8547.2, 0.00291094/step, 1.65826 hours remaining, 207.722656 MB of memory in use. ENERGY: 2949200 718.0537 2074.8638 1944.7290 105.2909 -206164.6196 17927.3658 0.0000 0.0000 34214.4287 -149179.8877 298.8031 -183394.3164 -149078.4514 299.0656 43.2655 77.3825 558519.6385 -15.2712 -15.2074 PRESSURE: 2949400 84.985 168.191 58.1773 168.191 -118.59 136.495 58.1775 136.496 12.8566 GPRESSURE: 2949400 119.081 168.168 95.9876 175.695 -97.4355 113.401 124.007 88.3966 51.8731 PRESSAVG: 2949400 -35.276 -3.94461 11.0423 -3.94455 74.3164 39.9143 11.0423 39.9144 4.39159 GPRESSAVG: 2949400 -34.8296 -0.621638 10.8464 -5.1667 73.4765 38.5045 12.6492 39.3394 4.76295 TIMING: 2949400 CPU: 8547.79, 0.00291104/step Wall: 8547.79, 0.00291104/step, 1.65816 hours remaining, 207.722656 MB of memory in use. ENERGY: 2949400 753.5271 2089.5325 1960.4285 106.5157 -206142.8220 17787.2527 0.0000 0.0000 34526.6437 -148918.9217 301.5298 -183445.5654 -148834.4519 299.2330 -6.9163 24.5061 558366.1140 14.4773 14.4699 PRESSURE: 2949600 330.801 74.5003 -0.741487 74.4997 114.2 89.968 -0.742423 89.968 96.8884 GPRESSURE: 2949600 334.995 75.5656 -18.6892 50.6228 129.122 38.1543 40.477 89.9616 175.494 PRESSAVG: 2949600 16.163 -9.2298 7.3742 -9.22969 -16.3938 -45.6685 7.37419 -45.6684 -36.2787 GPRESSAVG: 2949600 15.082 -7.01369 8.08004 -12.291 -15.8909 -46.1364 6.05919 -43.7986 -36.1231 TIMING: 2949600 CPU: 8548.37, 0.00289757/step Wall: 8548.37, 0.00289757/step, 1.65033 hours remaining, 207.722656 MB of memory in use. ENERGY: 2949600 778.9412 2077.5474 1966.6235 113.5955 -206234.7752 18042.6745 0.0000 0.0000 34437.7573 -148817.6358 300.7535 -183255.3931 -148721.9163 300.1719 180.6298 213.2032 556888.0359 -12.1698 -12.3107 PRESSURE: 2949800 -80.9888 24.0789 2.46131 24.0802 134.696 -116.258 2.46174 -116.256 -91.6424 GPRESSURE: 2949800 -38.6962 63.2185 79.8603 3.70137 186.474 -96.1888 5.69801 -68.5557 -80.7267 PRESSAVG: 2949800 -10.5997 -5.46062 26.3814 -5.46071 69.7551 -7.72993 26.3813 -7.72992 -46.0513 GPRESSAVG: 2949800 -9.43921 -8.70725 24.7369 -3.05088 70.1772 -6.80707 28.237 -9.44097 -47.5988 TIMING: 2949800 CPU: 8548.94, 0.00286772/step Wall: 8548.94, 0.00286772/step, 1.63317 hours remaining, 207.722656 MB of memory in use. ENERGY: 2949800 746.2807 2053.9834 1959.9058 109.1390 -205735.6961 17651.1884 0.0000 0.0000 34239.9994 -148975.1995 299.0264 -183215.1988 -148883.2876 300.3273 -12.6451 22.3502 558486.2768 4.3680 4.3797 PRESSURE: 2950000 -162.205 -137.781 -4.46035 -137.78 -73.4053 -114.148 -4.46074 -114.149 -139.973 GPRESSURE: 2950000 -145.103 -70.7844 81.2791 -75.4502 -11.2036 -106.803 -61.7505 -131.839 -117.484 PRESSAVG: 2950000 -55.4013 35.0079 -2.98557 35.0078 52.774 -5.77534 -2.9855 -5.77525 -5.28318 GPRESSAVG: 2950000 -54.2264 33.6383 -1.25477 37.1888 52.2761 -6.39483 -3.95756 -3.54917 -5.91539 TIMING: 2950000 CPU: 8549.52, 0.00288997/step Wall: 8549.52, 0.00288997/step, 1.64568 hours remaining, 207.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2950000 745.3808 2157.1484 1970.7978 123.2804 -205821.4573 17573.5185 0.0000 0.0000 34399.9876 -148851.3438 300.4236 -183251.3314 -148756.0794 299.9632 -125.1944 -91.2635 557090.2642 -2.6368 -2.6219 PRESSURE: 2950200 36.0487 -9.98382 228.869 -9.98335 -16.408 50.0188 228.869 50.0203 131.817 GPRESSURE: 2950200 81.6482 130.586 66.0575 -114.413 41.5397 -40.5695 258.734 99.5392 123.386 PRESSAVG: 2950200 -23.7189 -26.4461 54.4055 -26.4462 73.9424 25.544 54.4054 25.544 -13.0531 GPRESSAVG: 2950200 -25.3507 -24.77 53.1025 -27.404 75.0346 24.7297 54.3528 25.1358 -12.9257 TIMING: 2950200 CPU: 8550.09, 0.0028846/step Wall: 8550.09, 0.0028846/step, 1.64246 hours remaining, 207.722656 MB of memory in use. ENERGY: 2950200 788.8823 2082.3027 1963.1888 116.4147 -206175.6863 17914.3416 0.0000 0.0000 34556.9265 -148753.6297 301.7942 -183310.5562 -148668.1813 300.9439 50.4858 82.1912 557336.9536 12.3902 12.2527 PRESSURE: 2950400 -104.542 23.3959 65.7609 23.3951 -4.54491 55.4308 65.7612 55.4305 -63.2262 GPRESSURE: 2950400 -33.0083 89.265 108.872 42.3486 27.6005 -40.3345 62.7732 94.1113 -67.2069 PRESSAVG: 2950400 -36.3206 45.6274 -5.90632 45.6273 -60.5921 59.272 -5.90638 59.2719 50.5498 GPRESSAVG: 2950400 -36.2131 44.6089 -4.03811 44.3886 -61.9781 60.1474 -7.46113 58.1254 52.1864 TIMING: 2950400 CPU: 8550.67, 0.00287526/step Wall: 8550.67, 0.00287526/step, 1.63698 hours remaining, 207.722656 MB of memory in use. ENERGY: 2950400 785.0833 2075.7849 1975.7546 109.5156 -205475.7009 17681.1693 0.0000 0.0000 34246.6658 -148601.7274 299.0847 -182848.3932 -148496.8936 301.3580 -57.4376 -24.2049 559096.2618 -15.4543 -15.3349 PRESSURE: 2950600 57.4757 -20.822 -109.035 -20.822 224.029 -39.0565 -109.036 -39.0566 16.6957 GPRESSURE: 2950600 77.3349 31.6158 -152.903 1.93562 193.135 -127.945 -65.9483 -38.6273 127.499 PRESSAVG: 2950600 -89.8348 14.8141 1.29221 14.8142 2.68988 16.1327 1.29216 16.1327 95.5524 GPRESSAVG: 2950600 -89.1391 14.7805 -0.566236 14.904 2.85015 14.5063 2.6061 17.6012 94.9233 TIMING: 2950600 CPU: 8551.25, 0.00289396/step Wall: 8551.25, 0.00289396/step, 1.64747 hours remaining, 207.722656 MB of memory in use. ENERGY: 2950600 704.6131 2126.3972 1958.4626 108.1478 -205838.2069 17741.4138 0.0000 0.0000 34481.0411 -148718.1312 301.1315 -183199.1723 -148619.3558 300.8225 99.4002 132.6563 557565.4126 2.8025 2.8781 PRESSURE: 2950800 4.28667 78.4752 -23.1744 78.4758 1.28833 -94.0405 -23.1749 -94.0404 7.46504 GPRESSURE: 2950800 64.306 133.488 -20.8496 80.133 49.6471 -59.1345 -79.0421 -137.486 -21.3983 PRESSAVG: 2950800 -39.5844 6.42388 -29.0387 6.42382 -5.20186 -9.63947 -29.0388 -9.63947 58.0376 GPRESSAVG: 2950800 -40.9967 6.12114 -28.3512 7.37658 -4.81317 -7.79901 -29.3487 -11.253 58.9269 TIMING: 2950800 CPU: 8551.83, 0.0029045/step Wall: 8551.83, 0.0029045/step, 1.65331 hours remaining, 207.722656 MB of memory in use. ENERGY: 2950800 766.6096 2118.6487 1969.4353 114.0397 -205750.8481 17666.0689 0.0000 0.0000 34457.9767 -148658.0691 300.9301 -183116.0459 -148570.7919 300.6031 4.3467 30.8516 557884.1793 4.4171 4.3723 PRESSURE: 2951000 -106.87 -17.8213 28.0165 -17.8211 25.6307 87.5007 28.016 87.5011 -65.4669 GPRESSURE: 2951000 -61.2898 -23.9404 -55.2873 39.4728 -9.00656 70.3382 1.34517 -33.4849 22.3194 PRESSAVG: 2951000 12.5662 29.9187 -0.833982 29.9188 96.3987 -9.41432 -0.833998 -9.41436 -80.3222 GPRESSAVG: 2951000 13.0942 30.0855 -2.5616 31.6479 96.5554 -9.45391 0.203881 -11.6274 -80.6402 TIMING: 2951000 CPU: 8552.41, 0.00288844/step Wall: 8552.41, 0.00288844/step, 1.644 hours remaining, 207.722656 MB of memory in use. ENERGY: 2951000 734.7214 2106.9341 1974.7995 118.9663 -205696.0008 17577.4758 0.0000 0.0000 34400.6568 -148782.4470 300.4295 -183183.1038 -148688.5114 301.1971 -48.9020 -15.9923 557896.8039 9.5476 9.6698 PRESSURE: 2951200 -0.227134 -226.254 -130.951 -226.255 -124.687 -21.9535 -130.949 -21.9548 -151.325 GPRESSURE: 2951200 45.0509 -158.712 -153.257 -257.385 -94.8482 -38.1644 -65.1073 -4.04065 -122.052 PRESSAVG: 2951200 -12.629 -29.8258 62.9157 -29.8257 29.5764 36.0041 62.9156 36.004 -17.788 GPRESSAVG: 2951200 -11.9543 -30.6149 63.4536 -30.9409 29.1618 37.3756 61.5496 38.0896 -17.9479 TIMING: 2951200 CPU: 8552.98, 0.00288596/step Wall: 8552.98, 0.00288596/step, 1.64243 hours remaining, 207.722656 MB of memory in use. ENERGY: 2951200 735.4218 2095.8862 1992.3073 105.4352 -205581.5595 17418.0564 0.0000 0.0000 34512.8312 -148721.6214 301.4091 -183234.4526 -148626.0748 300.2593 -92.0800 -57.2831 556677.9351 -0.2802 -0.2468 PRESSURE: 2951400 -77.5655 -12.6728 53.0454 -12.6725 120.163 -127.988 53.047 -127.988 -126.069 GPRESSURE: 2951400 15.7726 24.7843 4.78989 -12.0953 94.648 -186.252 102.418 -99.766 -97.6719 PRESSAVG: 2951400 9.35887 44.9398 -33.9401 44.9398 44.6996 32.8304 -33.9401 32.8303 -62.3239 GPRESSAVG: 2951400 9.99432 45.7726 -33.6538 45.3602 45.13 33.4857 -33.6332 32.5265 -64.018 TIMING: 2951400 CPU: 8553.57, 0.00290449/step Wall: 8553.57, 0.00290449/step, 1.65282 hours remaining, 207.722656 MB of memory in use. ENERGY: 2951400 758.7058 2092.9899 1962.4103 124.1769 -206333.0944 17997.8429 0.0000 0.0000 34570.2249 -148826.7436 301.9104 -183396.9686 -148728.4735 300.8066 -27.8240 4.2496 556225.6495 -2.7552 -2.9646 PRESSURE: 2951600 -192.503 81.5839 -28.2918 81.5826 88.5694 49.8523 -28.2917 49.8519 -148.269 GPRESSURE: 2951600 -162.89 84.2035 43.0458 130.34 83.2151 126.231 -58.5524 60.3658 -81.7372 PRESSAVG: 2951600 -76.2588 0.92927 6.97372 0.929224 34.7818 1.12208 6.97367 1.1223 47.206 GPRESSAVG: 2951600 -75.5591 0.937192 7.43207 2.03631 32.9808 0.352707 7.76581 1.66383 48.0664 TIMING: 2951600 CPU: 8554.14, 0.00289206/step Wall: 8554.14, 0.00289206/step, 1.64558 hours remaining, 207.722656 MB of memory in use. ENERGY: 2951600 781.9051 2088.4433 1952.5370 105.6172 -206135.0218 17708.3726 0.0000 0.0000 34424.4864 -149073.6601 300.6376 -183498.1466 -148981.2166 300.1908 -84.0676 -53.8039 557012.0811 1.9097 1.8294 PRESSURE: 2951800 94.904 -131.607 215.162 -131.607 41.1875 -15.3391 215.162 -15.3387 149.109 GPRESSURE: 2951800 110.525 -180.889 146.368 -74.8458 53.3253 -12.7279 216.319 -27.3808 228.733 PRESSAVG: 2951800 -0.919692 -13.466 -6.16953 -13.466 -43.5735 -7.04115 -6.16951 -7.04123 -19.303 GPRESSAVG: 2951800 -2.02758 -13.056 -6.60466 -15.6067 -43.0738 -8.69847 -7.93258 -5.63505 -18.3786 TIMING: 2951800 CPU: 8554.73, 0.00290879/step Wall: 8554.73, 0.00290879/step, 1.65494 hours remaining, 207.722656 MB of memory in use. ENERGY: 2951800 772.5620 2100.8082 1965.1684 118.9627 -206610.8538 18123.8111 0.0000 0.0000 34269.1382 -149260.4033 299.2809 -183529.5415 -149165.3893 300.0204 95.0669 130.8613 555563.2659 -21.2654 -21.1600 PRESSURE: 2952000 129.468 -89.7942 -77.3566 -89.7933 143.75 44.255 -77.3569 44.2551 43.759 GPRESSURE: 2952000 130.56 -97.042 -108.758 -166.307 243.729 148.833 -24.8882 25.6426 49.6282 PRESSAVG: 2952000 -27.1885 9.26157 -8.44472 9.26159 52.2828 -44.9002 -8.44468 -44.9002 2.08592 GPRESSAVG: 2952000 -26.6701 9.32061 -8.25862 8.71189 52.3541 -42.9511 -8.20473 -47.0036 0.940752 TIMING: 2952000 CPU: 8555.31, 0.00291624/step Wall: 8555.31, 0.00291624/step, 1.65901 hours remaining, 207.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2952000 752.3525 2082.5535 1941.4400 102.2164 -206604.2597 18087.6500 0.0000 0.0000 34283.4966 -149354.5508 299.4063 -183638.0474 -149258.7607 299.3249 105.6592 141.3059 555952.0341 9.0601 8.8749 PRESSURE: 2952200 -137.737 -56.7144 118.176 -56.7143 81.1634 -45.8677 118.176 -45.8688 9.90757 GPRESSURE: 2952200 -84.1532 -50.3577 166.433 37.4106 103.936 -130.885 116.445 -31.7112 33.0389 PRESSAVG: 2952200 -23.8453 -30.6289 -72.4069 -30.6289 61.0567 10.544 -72.4069 10.544 -55.1256 GPRESSAVG: 2952200 -23.5708 -30.7355 -73.3409 -30.2747 61.4564 6.89093 -71.3446 13.1551 -55.7552 TIMING: 2952200 CPU: 8555.9, 0.00293306/step Wall: 8555.9, 0.00293306/step, 1.66842 hours remaining, 207.722656 MB of memory in use. ENERGY: 2952200 696.8124 2073.0334 1975.9112 113.3120 -206051.6694 17530.4098 0.0000 0.0000 34407.8276 -149254.3629 300.4921 -183662.1904 -149150.7505 299.0244 -15.5553 17.6071 556307.9394 -5.9714 -5.9565 LDB: ============= START OF LOAD BALANCING ============== 8559.28 LDB: ============== END OF LOAD BALANCING =============== 8559.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8559.28 LDB: ============= START OF LOAD BALANCING ============== 8559.57 LDB: Largest compute 4800 load 0.026278 is 22.3% of average load 0.117983 LDB: Average compute 0.001743 is 1.5% of average load 0.117983 LDB: TIME 8559.58 LOAD: AVG 0.117983 MAX 0.177648 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.297 MB LDB: TIME 8559.58 LOAD: AVG 0.117983 MAX 0.177648 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.297 MB LDB: TIME 8559.58 LOAD: AVG 0.117983 MAX 0.177648 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.297 MB LDB: ============== END OF LOAD BALANCING =============== 8559.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8559.58 PRESSURE: 2952400 129.269 78.3838 -35.5381 78.3837 77.6519 -65.7 -35.5365 -65.6983 -217.756 GPRESSURE: 2952400 216.089 94.5506 -23.6928 109.61 68.6224 -1.08988 9.75202 -48.3728 -189.152 PRESSAVG: 2952400 40.1559 23.7759 61.9401 23.7759 88.6966 -45.1816 61.9401 -45.1815 -63.076 GPRESSAVG: 2952400 39.7064 23.4389 62.9741 24.1194 88.6245 -42.8878 61.4667 -46.8412 -61.9687 TIMING: 2952400 CPU: 8556.49, 0.00295417/step Wall: 8556.49, 0.00295417/step, 1.68027 hours remaining, 209.710938 MB of memory in use. ENERGY: 2952400 728.4377 2166.7454 1961.0072 117.9524 -206124.7642 17719.6397 0.0000 0.0000 34310.0007 -149120.9812 299.6378 -183430.9819 -149020.7786 299.2708 -3.6116 31.8529 556460.5543 21.9255 22.1207 PRESSURE: 2952600 63.7249 -33.4594 -27.1074 -33.4589 126.627 -223.036 -27.1072 -223.036 -62.8037 GPRESSURE: 2952600 108.073 9.57468 -24.5939 -111.844 145.032 -84.1391 -99.4261 -317.948 -26.0776 PRESSAVG: 2952600 73.5261 -7.15078 -32.4244 -7.15068 57.2405 -45.1176 -32.4244 -45.1176 -102.779 GPRESSAVG: 2952600 74.1057 -6.93189 -31.262 -7.48841 56.9959 -45.8355 -30.9607 -45.0287 -102.76 TIMING: 2952600 CPU: 8557.07, 0.00290061/step Wall: 8557.07, 0.00290061/step, 1.64964 hours remaining, 209.953125 MB of memory in use. ENERGY: 2952600 770.8164 2106.8659 1959.8800 128.1460 -206002.7220 17830.5398 0.0000 0.0000 34257.3790 -148949.0948 299.1782 -183206.4738 -148854.1737 299.5706 42.5160 75.6758 557764.6625 9.3293 9.4471 PRESSURE: 2952800 -42.3521 -194.904 -12.7821 -194.905 -45.534 -31.865 -12.7827 -31.8638 43.1037 GPRESSURE: 2952800 43.6804 -180.385 114.252 -206.728 -7.07761 41.2149 -73.2942 -51.5219 20.8697 PRESSAVG: 2952800 -10.3696 -0.914104 -17.565 -0.914119 2.9227 -46.213 -17.5649 -46.2131 -7.51507 GPRESSAVG: 2952800 -10.3144 -1.5074 -17.911 -1.45992 2.2688 -44.8837 -19.1791 -49.0758 -6.95474 TIMING: 2952800 CPU: 8557.65, 0.00290636/step Wall: 8557.65, 0.00290636/step, 1.65275 hours remaining, 209.953125 MB of memory in use. ENERGY: 2952800 765.8725 2095.4531 1979.5817 113.8754 -205986.8774 17722.4727 0.0000 0.0000 34401.5231 -148908.0989 300.4371 -183309.6220 -148815.4412 299.7934 -14.9275 19.1575 555725.0295 -4.9873 -5.0001 PRESSURE: 2953000 -30.6809 104.767 10.3666 104.767 44.8311 -11.9753 10.3667 -11.9742 3.59696 GPRESSURE: 2953000 -57.59 182.278 73.5514 93.8526 92.8239 -53.445 1.9436 31.1805 75.8706 PRESSAVG: 2953000 42.7432 60.4061 16.9739 60.4061 6.21625 -51.6114 16.974 -51.6114 -54.152 GPRESSAVG: 2953000 41.5187 60.4676 16.449 60.9133 7.14998 -53.035 16.8794 -47.1681 -53.5137 TIMING: 2953000 CPU: 8558.23, 0.0029231/step Wall: 8558.23, 0.0029231/step, 1.6621 hours remaining, 209.953125 MB of memory in use. ENERGY: 2953000 739.6545 2031.8652 1979.8793 111.8247 -206100.6382 17761.2213 0.0000 0.0000 34424.0235 -149052.1698 300.6336 -183476.1932 -148956.8509 299.2548 5.9157 37.0348 557260.1751 -1.7309 -1.6150 PRESSURE: 2953200 23.8229 138.677 -7.8314 138.678 -138.936 0.15181 -7.83139 0.151292 -61.4376 GPRESSURE: 2953200 27.8297 139.968 -58.603 123.298 -116.056 13.6534 62.1158 -34.7245 -3.12242 PRESSAVG: 2953200 -54.1362 10.1978 13.2201 10.1979 65.8772 -46.5908 13.2201 -46.5907 16.8462 GPRESSAVG: 2953200 -53.403 9.76893 12.9638 10.2064 65.5855 -44.3858 14.3348 -48.5774 16.0091 TIMING: 2953200 CPU: 8558.82, 0.00291543/step Wall: 8558.82, 0.00291543/step, 1.65759 hours remaining, 209.953125 MB of memory in use. ENERGY: 2953200 762.7718 2081.2344 1988.7310 114.7250 -206153.3647 17712.5321 0.0000 0.0000 34508.2941 -148985.0762 301.3695 -183493.3703 -148884.3402 300.0678 -58.8502 -30.4495 556919.8864 9.5291 9.3972 PRESSURE: 2953400 -106.54 28.8203 -100.274 28.8209 119.798 144.297 -100.274 144.297 -222.436 GPRESSURE: 2953400 -110.267 61.5995 -202.998 41.5285 189.191 101.446 -30.3563 167.174 -193.591 PRESSAVG: 2953400 -5.43778 12.6995 22.609 12.6995 -17.4957 6.84124 22.6089 6.84122 30.6395 GPRESSAVG: 2953400 -6.48409 14.0412 20.9107 11.7808 -17.5005 4.78634 23.3112 5.6595 31.9576 TIMING: 2953400 CPU: 8559.39, 0.00288374/step Wall: 8559.39, 0.00288374/step, 1.6394 hours remaining, 209.953125 MB of memory in use. ENERGY: 2953400 778.8977 2177.2104 1966.3897 109.1785 -205894.8449 17542.9115 0.0000 0.0000 34277.6401 -149042.6171 299.3552 -183320.2571 -148942.2141 299.5226 -69.7259 -38.2222 556407.5222 2.5687 2.6576 PRESSURE: 2953600 -260.058 6.15265 -80.6026 6.15151 49.5472 167.61 -80.6012 167.609 -86.912 GPRESSURE: 2953600 -200.477 -56.3503 -54.4162 -53.6704 39.672 148.051 -118.52 188.256 -28.2988 PRESSAVG: 2953600 51.3661 -0.84971 -37.7222 -0.849693 -29.6364 17.5789 -37.7221 17.579 -56.3734 GPRESSAVG: 2953600 51.3525 -1.93783 -37.9915 -0.558553 -30.6004 17.7782 -38.0622 19.0206 -55.1531 TIMING: 2953600 CPU: 8559.97, 0.00289919/step Wall: 8559.97, 0.00289919/step, 1.64803 hours remaining, 209.953125 MB of memory in use. ENERGY: 2953600 760.8873 2066.2239 1965.3305 122.3359 -206070.6720 17650.5834 0.0000 0.0000 34449.2496 -149056.0615 300.8539 -183505.3111 -148954.5467 299.8732 -99.1408 -63.0344 556885.1488 -11.5479 -11.4670 PRESSURE: 2953800 -189.458 17.1722 -145.451 17.1716 -339.702 150.57 -145.45 150.57 -271.17 GPRESSURE: 2953800 -89.8438 -68.7078 -99.709 42.9689 -345.392 112.48 -224.194 135.92 -280.987 PRESSAVG: 2953800 -37.9631 -42.8884 -48.3364 -42.8885 89.1718 1.5219 -48.3364 1.52185 -36.696 GPRESSAVG: 2953800 -36.6134 -43.2623 -47.8497 -42.8707 89.5309 3.65531 -49.4755 0.795946 -38.2571 TIMING: 2953800 CPU: 8560.56, 0.00291771/step Wall: 8560.56, 0.00291771/step, 1.65839 hours remaining, 209.953125 MB of memory in use. ENERGY: 2953800 767.6634 2150.5711 1972.8383 107.0420 -205434.6485 17089.8714 0.0000 0.0000 34296.6594 -149050.0028 299.5213 -183346.6622 -148956.8260 300.7798 -266.7767 -238.7411 557086.0101 4.8375 4.8868 PRESSURE: 2954000 -281.298 88.3904 -32.7298 88.3901 127.869 -102.714 -32.7292 -102.714 136.314 GPRESSURE: 2954000 -281.942 105.283 36.184 107.815 210.948 -153.013 -116.807 -66.3342 144.311 PRESSAVG: 2954000 -1.47467 -71.5658 -37.2975 -71.5657 11.233 -9.28402 -37.2975 -9.28415 1.21491 GPRESSAVG: 2954000 -2.58451 -74.0204 -36.4176 -69.134 11.6917 -9.93778 -37.2623 -9.73793 1.16843 TIMING: 2954000 CPU: 8561.13, 0.00289357/step Wall: 8561.13, 0.00289357/step, 1.64451 hours remaining, 209.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2954000 753.6080 2148.0017 1940.4133 115.6906 -206313.1766 17787.0657 0.0000 0.0000 34342.7740 -149225.6234 299.9240 -183568.3973 -149138.5623 299.9311 -5.7046 24.4390 557447.4395 3.6578 3.4252 PRESSURE: 2954200 -106.775 -30.1977 -106.708 -30.1982 -3.8651 70.8775 -106.709 70.8786 156.515 GPRESSURE: 2954200 -87.0829 -84.0565 -93.865 83.4663 12.3542 -50.1969 -106.908 116.659 218.844 PRESSAVG: 2954200 -6.5827 -3.98581 -0.598202 -3.98571 -12.2865 12.8163 -0.598187 12.8163 -35.6785 GPRESSAVG: 2954200 -8.05895 -2.90318 -0.307411 -5.14417 -11.1039 12.137 -0.380523 14.708 -35.603 TIMING: 2954200 CPU: 8561.71, 0.00289584/step Wall: 8561.71, 0.00289584/step, 1.64564 hours remaining, 209.953125 MB of memory in use. ENERGY: 2954200 672.7677 2092.9583 1948.5509 116.9735 -205917.1310 17595.0631 0.0000 0.0000 34338.2374 -149152.5802 299.8844 -183490.8176 -149058.8073 299.1882 15.2919 48.0383 557117.0939 -18.1826 -18.2553 PRESSURE: 2954400 -191.189 -120.865 -57.9987 -120.864 -214.836 -147.606 -57.9994 -147.606 12.6461 GPRESSURE: 2954400 -174.969 -90.3618 -97.7755 -153.474 -207.677 -113.009 -128.298 -260.135 79.8433 PRESSAVG: 2954400 20.0809 -25.9804 -52.4648 -25.9803 26.1709 46.842 -52.4647 46.8419 -34.8942 GPRESSAVG: 2954400 21.7504 -24.6707 -51.7201 -27.3072 26.5583 46.7715 -52.4966 44.4154 -36.7781 TIMING: 2954400 CPU: 8562.3, 0.00291102/step Wall: 8562.3, 0.00291102/step, 1.65411 hours remaining, 209.953125 MB of memory in use. ENERGY: 2954400 773.6508 2104.7639 1936.7178 113.3171 -206110.4690 17617.3793 0.0000 0.0000 34314.4483 -149250.1918 299.6766 -183564.6401 -149152.0202 299.5198 -131.1265 -100.9344 557615.8687 3.7859 3.8435 PRESSURE: 2954600 -103.934 -52.5314 -47.3392 -52.5322 -160.996 131.415 -47.3396 131.417 -165.17 GPRESSURE: 2954600 -88.763 -26.4613 -74.7527 -26.0906 -126.773 84.7561 -56.0659 99.9283 -112.893 PRESSAVG: 2954600 -19.3048 0.622721 17.4958 0.622719 6.89987 -9.07946 17.4957 -9.0793 12.288 GPRESSAVG: 2954600 -19.7728 0.354756 17.1972 1.03906 6.55485 -8.65219 14.8336 -8.53499 13.0005 TIMING: 2954600 CPU: 8562.88, 0.00290067/step Wall: 8562.88, 0.00290067/step, 1.64807 hours remaining, 209.953125 MB of memory in use. ENERGY: 2954600 732.0496 2077.7247 1968.9094 112.4198 -206047.0673 17691.9908 0.0000 0.0000 34339.7024 -149124.2705 299.8972 -183463.9729 -149023.9466 299.2679 -143.3667 -109.4764 558137.9815 -0.0390 -0.0725 PRESSURE: 2954800 -106.023 16.5249 42.6925 16.525 -3.29799 151.468 42.6926 151.466 -340.957 GPRESSURE: 2954800 -98.6645 -92.9258 28.5012 76.5224 43.824 109.449 16.2938 221.657 -298.642 PRESSAVG: 2954800 -55.8911 -14.8974 -19.7836 -14.8973 48.1488 14.1475 -19.7837 14.1475 -22.1032 GPRESSAVG: 2954800 -55.6859 -14.1492 -20.4626 -15.9985 46.7031 12.956 -17.2952 16.4391 -20.8704 TIMING: 2954800 CPU: 8563.46, 0.00290615/step Wall: 8563.46, 0.00290616/step, 1.65102 hours remaining, 209.953125 MB of memory in use. ENERGY: 2954800 773.5033 2066.6584 1943.9566 102.6446 -205799.7851 17637.5730 0.0000 0.0000 34182.2152 -149093.2340 298.5218 -183275.4492 -149005.6729 299.8022 -150.0927 -117.8275 558271.5447 -9.9485 -9.9511 PRESSURE: 2955000 -43.182 -8.80871 -160.253 -8.80741 147.507 105.26 -160.252 105.26 131.814 GPRESSURE: 2955000 21.3654 -17.4137 -252.671 4.00758 145.507 57.5306 -57.9493 72.2426 160.781 PRESSAVG: 2955000 -13.8093 -27.6512 -34.8336 -27.6512 -51.2671 19.3249 -34.8336 19.325 58.0666 GPRESSAVG: 2955000 -12.8667 -27.5913 -36.0337 -29.5735 -51.8983 18.0582 -36.165 19.239 57.3787 TIMING: 2955000 CPU: 8564.04, 0.00290051/step Wall: 8564.04, 0.00290051/step, 1.64765 hours remaining, 210.070312 MB of memory in use. ENERGY: 2955000 735.5395 2054.5305 1942.0199 111.3160 -206295.8525 17874.1249 0.0000 0.0000 34443.6851 -149134.6365 300.8053 -183578.3216 -149031.6294 299.8405 78.7129 109.2176 556753.7708 -2.3366 -2.4621 PRESSURE: 2955200 -41.5452 -8.97213 0.130612 -8.9719 -177.286 131.796 0.130013 131.794 -180.511 GPRESSURE: 2955200 20.4717 -7.7372 28.7254 -61.9206 -166.651 153.24 -110.872 90.5846 -147.013 PRESSAVG: 2955200 29.8815 -76.7113 -24.004 -76.7113 -33.8715 -9.20043 -24.004 -9.20042 19.3327 GPRESSAVG: 2955200 29.7731 -75.5979 -23.7688 -75.7505 -32.7578 -7.34996 -21.567 -11.5667 18.4557 TIMING: 2955200 CPU: 8564.62, 0.00290033/step Wall: 8564.62, 0.00290033/step, 1.64739 hours remaining, 210.070312 MB of memory in use. ENERGY: 2955200 742.9988 2077.0160 1983.1166 106.1156 -205716.7554 17575.8872 0.0000 0.0000 34262.3759 -148969.2454 299.2219 -183231.6213 -148866.5304 299.7346 -133.1140 -97.7310 556517.0769 5.1142 5.1570 PRESSURE: 2955400 -113.207 39.9644 20.5584 39.9652 -21.6825 49.5211 20.5583 49.5203 -70.8173 GPRESSURE: 2955400 -110.262 24.3094 -44.2253 13.4637 43.4708 42.4869 -24.4206 -18.7575 -48.5457 PRESSAVG: 2955400 -24.6124 -14.5554 26.7999 -14.5553 88.6978 -38.41 26.7998 -38.41 -36.1846 GPRESSAVG: 2955400 -25.719 -14.9528 28.0654 -13.2033 88.6777 -37.9939 23.3436 -38.3353 -34.8 TIMING: 2955400 CPU: 8565.2, 0.00291379/step Wall: 8565.2, 0.00291379/step, 1.65487 hours remaining, 210.070312 MB of memory in use. ENERGY: 2955400 741.3360 2111.5343 1942.7739 107.9069 -205727.3007 17418.9395 0.0000 0.0000 34266.0238 -149138.7862 299.2537 -183404.8100 -149040.7354 299.9882 -68.5688 -38.4455 556978.8093 9.3003 9.3862 PRESSURE: 2955600 -99.6547 107.25 -158.01 107.25 118.927 33.4784 -158.01 33.4788 -226.283 GPRESSURE: 2955600 -83.3878 104.095 -179.244 87.0643 140.138 91.2574 -162.666 -21.5386 -152.139 PRESSAVG: 2955600 -27.2051 43.8759 6.63585 43.8757 48.0658 -25.4864 6.63587 -25.4864 -44.8553 GPRESSAVG: 2955600 -25.4741 44.6133 6.10229 42.8185 48.1761 -26.3463 9.09592 -27.1155 -46.5618 TIMING: 2955600 CPU: 8565.78, 0.00290411/step Wall: 8565.78, 0.00290411/step, 1.64921 hours remaining, 210.070312 MB of memory in use. ENERGY: 2955600 755.1767 2088.5512 1966.3448 116.2946 -205941.0421 17780.6317 0.0000 0.0000 34117.6598 -149116.3833 297.9580 -183234.0432 -149027.3493 298.8602 -69.0036 -31.7965 557617.7474 -7.9982 -7.9533 PRESSURE: 2955800 60.4249 102.806 88.8686 102.805 274.198 -27.6215 88.8682 -27.6217 127.205 GPRESSURE: 2955800 97.963 75.1693 70.7052 116.918 310.756 31.4695 87.2199 -45.8234 145.998 PRESSAVG: 2955800 -45.5041 24.9752 -4.17694 24.9752 2.98369 19.3464 -4.17698 19.3464 -11.6202 GPRESSAVG: 2955800 -45.9901 23.5545 -3.65695 26.9871 2.89399 20.7031 -5.01025 18.9205 -11.1231 TIMING: 2955800 CPU: 8566.36, 0.00291041/step Wall: 8566.36, 0.00291041/step, 1.65263 hours remaining, 210.070312 MB of memory in use. ENERGY: 2955800 752.8990 2100.2575 1970.2195 113.0197 -206233.0215 18021.4831 0.0000 0.0000 34190.7581 -149084.3847 298.5964 -183275.1428 -148991.8142 299.2852 153.9429 184.9056 555779.3861 -18.0469 -18.0731 PRESSURE: 2956000 33.5048 -42.8282 -62.3769 -42.8284 142.742 -93.3663 -62.377 -93.3663 112.771 GPRESSURE: 2956000 47.7123 -71.0329 -30.7172 -12.9242 229.169 -57.2981 -137.415 -69.77 111.377 PRESSAVG: 2956000 10.5402 4.5374 -49.1412 4.53735 27.6656 11.368 -49.1413 11.3678 -27.2737 GPRESSAVG: 2956000 9.60732 5.52404 -51.5679 2.74264 30.2708 11.7795 -48.3326 13.1522 -28.4349 TIMING: 2956000 CPU: 8566.94, 0.00290188/step Wall: 8566.94, 0.00290188/step, 1.64762 hours remaining, 210.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2956000 734.9509 2138.1049 1941.3975 109.7969 -206048.8487 17834.2241 0.0000 0.0000 34294.8918 -148995.4827 299.5058 -183290.3745 -148896.6342 299.2196 96.3393 129.4195 556707.9467 3.6441 3.8144 PRESSURE: 2956200 124.903 -248.131 24.8498 -248.133 146.36 -188.486 24.8497 -188.487 82.6635 GPRESSURE: 2956200 174.339 -172.546 -45.6664 -327.63 150.668 -148.736 4.16189 -151.576 114.42 PRESSAVG: 2956200 16.0711 -28.7133 -42.5942 -28.7133 23.5635 -49.2666 -42.5942 -49.2666 31.6193 GPRESSAVG: 2956200 16.948 -27.6697 -39.8687 -29.0669 21.4341 -48.1656 -43.8439 -49.2757 32.7336 TIMING: 2956200 CPU: 8567.52, 0.00290438/step Wall: 8567.52, 0.00290438/step, 1.64888 hours remaining, 210.070312 MB of memory in use. ENERGY: 2956200 734.8993 2125.9035 1991.1937 109.5942 -206466.7180 18026.5296 0.0000 0.0000 34282.4667 -149196.1310 299.3973 -183478.5978 -149105.2269 299.3548 117.9755 146.4760 557620.8228 23.7513 23.7052 LDB: ============= START OF LOAD BALANCING ============== 8570.91 LDB: ============== END OF LOAD BALANCING =============== 8570.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8570.91 LDB: ============= START OF LOAD BALANCING ============== 8571.2 LDB: Largest compute 4800 load 0.026270 is 22.3% of average load 0.118029 LDB: Average compute 0.001742 is 1.5% of average load 0.118029 LDB: TIME 8571.2 LOAD: AVG 0.118029 MAX 0.178051 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.742 MB LDB: TIME 8571.2 LOAD: AVG 0.118029 MAX 0.178051 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.945 MB LDB: TIME 8571.2 LOAD: AVG 0.118029 MAX 0.178051 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8571.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8571.21 PRESSURE: 2956400 -410.41 123.426 95.7282 123.425 121.584 115.95 95.7291 115.95 -150.398 GPRESSURE: 2956400 -331.665 52.4198 69.1461 159.79 113.676 97.5214 179.967 67.3958 -109.603 PRESSAVG: 2956400 -63.4222 0.179589 15.958 0.179739 48.9446 78.6052 15.958 78.6052 44.4628 GPRESSAVG: 2956400 -63.6732 -1.37674 15.4478 0.855886 49.7005 75.9354 16.4567 77.2999 44.2378 TIMING: 2956400 CPU: 8568.11, 0.00293646/step Wall: 8568.11, 0.00293646/step, 1.66693 hours remaining, 208.093750 MB of memory in use. ENERGY: 2956400 763.5173 2176.4849 1960.6004 104.6805 -206001.7225 17538.7489 0.0000 0.0000 34138.2566 -149319.4340 298.1379 -183457.6906 -149223.9263 299.1158 -146.4078 -109.1972 556613.6291 9.9951 10.0884 PRESSURE: 2956600 6.81915 95.7 134.301 95.7011 -195.93 -89.3593 134.301 -89.3604 69.6591 GPRESSURE: 2956600 80.0156 38.7086 174.379 92.6326 -185.853 -71.8664 180.926 -146.011 82.3408 PRESSAVG: 2956600 -20.9571 55.9029 11.731 55.9028 28.2309 -6.20437 11.731 -6.20441 16.9398 GPRESSAVG: 2956600 -20.5366 54.1147 10.6755 58.393 29.1186 -6.96746 13.7986 -4.3682 15.4907 TIMING: 2956600 CPU: 8568.69, 0.00289579/step Wall: 8568.69, 0.00289579/step, 1.64368 hours remaining, 208.093750 MB of memory in use. ENERGY: 2956600 818.1640 2086.1029 1943.8707 109.6373 -206070.4114 17702.4618 0.0000 0.0000 34090.3802 -149319.7945 297.7198 -183410.1747 -149222.9088 299.3149 -39.8173 -7.8322 556976.4280 8.0712 8.0242 PRESSURE: 2956800 68.9605 -70.5032 49.3374 -70.5035 225.999 -48.39 49.337 -48.3902 -98.3859 GPRESSURE: 2956800 93.4109 -170.065 16.2111 -77.0315 280.236 -60.8386 57.6224 -19.5015 -77.3031 PRESSAVG: 2956800 -26.6772 61.7492 12.6361 61.7491 -43.2392 -32.0921 12.6361 -32.092 64.3016 GPRESSAVG: 2956800 -26.3892 64.4643 13.4959 59.8401 -44.9735 -30.4375 11.4369 -31.5653 66.2527 TIMING: 2956800 CPU: 8569.27, 0.00289431/step Wall: 8569.27, 0.00289431/step, 1.64268 hours remaining, 208.093750 MB of memory in use. ENERGY: 2956800 733.2672 2101.0284 1938.0469 119.2521 -206411.2864 17954.9305 0.0000 0.0000 34260.3688 -149304.3925 299.2043 -183564.7612 -149205.9299 299.0287 65.5244 98.7813 556690.9590 -1.8716 -1.7033 PRESSURE: 2957000 -59.6526 3.99941 85.0214 3.99919 -65.949 58.3483 85.0222 58.3484 25.5196 GPRESSURE: 2957000 -77.365 10.0895 2.08934 -64.8549 -15.628 44.2057 87.1391 41.9155 97.1581 PRESSAVG: 2957000 -29.1091 15.5853 -29.0225 15.5853 -16.363 -46.7378 -29.0225 -46.7377 60.9972 GPRESSAVG: 2957000 -30.2464 16.3754 -29.3674 14.4121 -15.6162 -47.512 -29.5988 -47.5589 60.8349 TIMING: 2957000 CPU: 8569.85, 0.00289678/step Wall: 8569.85, 0.00289678/step, 1.64392 hours remaining, 208.093750 MB of memory in use. ENERGY: 2957000 722.3095 2129.9956 1972.0650 116.9318 -206325.1977 17833.9608 0.0000 0.0000 34111.0140 -149438.9210 297.9000 -183549.9350 -149344.6314 298.5603 -33.3607 1.3883 557891.4462 5.1750 4.9908 PRESSURE: 2957200 -13.2796 -58.647 43.4713 -58.647 -147.77 -42.1392 43.4704 -42.1405 -197.928 GPRESSURE: 2957200 18.4022 -126.551 42.7808 21.179 -129.92 -24.556 7.57989 -136.81 -149.158 PRESSAVG: 2957200 -0.916935 36.8317 56.9678 36.8318 -0.243661 -14.7141 56.9679 -14.7141 18.4597 GPRESSAVG: 2957200 -0.44538 34.6422 58.924 38.0399 0.477079 -14.23 57.0879 -14.5565 17.4314 TIMING: 2957200 CPU: 8570.43, 0.00292305/step Wall: 8570.43, 0.00292305/step, 1.65867 hours remaining, 208.093750 MB of memory in use. ENERGY: 2957200 790.9969 2080.0899 1956.9385 111.2102 -206237.0262 17586.2254 0.0000 0.0000 34397.0154 -149314.5499 300.3977 -183711.5653 -149212.6754 298.7706 -119.6589 -86.8917 556763.3609 5.7664 5.8210 PRESSURE: 2957400 3.50859 -244.643 20.4428 -244.645 126.453 -145.326 20.443 -145.327 78.4529 GPRESSURE: 2957400 109.103 -221.411 68.9833 -186.36 89.9197 -214.551 5.41375 -52.115 101.553 PRESSAVG: 2957400 -6.28083 -45.1136 2.4896 -45.1136 -32.4624 -45.2301 2.48964 -45.2301 35.4554 GPRESSAVG: 2957400 -6.48627 -44.7999 0.843097 -46.0896 -32.9969 -43.6645 2.59029 -45.7233 35.9194 TIMING: 2957400 CPU: 8571.01, 0.00289693/step Wall: 8571.01, 0.00289693/step, 1.64368 hours remaining, 208.093750 MB of memory in use. ENERGY: 2957400 744.0818 2108.7508 1961.3230 111.3150 -206128.4565 17881.3358 0.0000 0.0000 34216.7713 -149104.8788 298.8236 -183321.6500 -149008.9421 299.0534 69.4717 100.1920 558397.0992 -1.0959 -1.1879 PRESSURE: 2957600 106.249 -21.403 15.2264 -21.4037 49.2089 -11.7376 15.2269 -11.738 -208.599 GPRESSURE: 2957600 148.509 111.775 -112.412 -98.4011 113.798 -83.7294 12.5976 16.1535 -207.067 PRESSAVG: 2957600 13.4824 12.0392 5.74369 12.0393 14.4137 66.8465 5.74376 66.8465 12.7419 GPRESSAVG: 2957600 13.8701 14.7682 7.24729 11.1457 13.3907 65.4086 5.85503 68.2296 13.3872 TIMING: 2957600 CPU: 8571.59, 0.00288695/step Wall: 8571.59, 0.00288695/step, 1.63787 hours remaining, 208.093750 MB of memory in use. ENERGY: 2957600 791.7559 2072.1672 1945.3903 119.0715 -206284.8369 17941.8119 0.0000 0.0000 34220.9393 -149193.7008 298.8600 -183414.6401 -149086.2392 299.5057 -17.7137 18.4136 557971.5505 13.5460 13.5493 PRESSURE: 2957800 56.5211 47.3321 37.6541 47.3316 -81.3659 98.5441 37.6536 98.5427 -36.7196 GPRESSURE: 2957800 46.085 96.9667 12.4615 8.86952 -21.6397 74.5509 62.0417 118.991 17.2616 PRESSAVG: 2957800 -18.4332 -23.2825 -46.5761 -23.2825 48.8915 -5.01484 -46.576 -5.01489 0.363895 GPRESSAVG: 2957800 -18.3779 -27.529 -48.4866 -20.9141 50.0601 -5.92125 -46.1166 -4.71147 -0.519016 TIMING: 2957800 CPU: 8572.17, 0.00291379/step Wall: 8572.17, 0.00291379/step, 1.65293 hours remaining, 208.093750 MB of memory in use. ENERGY: 2957800 772.9403 2096.0394 1963.6663 103.8456 -206387.4605 17905.2747 0.0000 0.0000 34167.9149 -149377.7793 298.3969 -183545.6942 -149285.4576 299.0330 -20.5214 13.9023 557738.8982 10.2741 10.3877 PRESSURE: 2958000 -330.904 -214.615 19.7337 -214.614 -173.306 -18.1407 19.7326 -18.1413 -215.972 GPRESSURE: 2958000 -273.392 -257.73 72.7092 -265.328 -140.837 32.0793 64.6073 10.7852 -194.986 PRESSAVG: 2958000 -44.8474 -25.2254 -14.6395 -25.2254 55.1068 19.9802 -14.6395 19.9802 -15.0815 GPRESSAVG: 2958000 -43.797 -23.2668 -14.0099 -26.1528 54.0524 21.915 -14.7433 17.985 -15.1279 TIMING: 2958000 CPU: 8572.75, 0.00290207/step Wall: 8572.75, 0.00290207/step, 1.64612 hours remaining, 208.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2958000 787.2462 2091.0768 1961.3633 112.8743 -205999.2427 17577.2952 0.0000 0.0000 34138.1486 -149331.2383 298.1369 -183469.3869 -149241.6198 298.7024 -240.0606 -203.0718 558266.5262 -1.6074 -1.6242 PRESSURE: 2958200 58.4118 11.0378 160.466 11.0386 361.403 49.2144 160.466 49.2125 69.7408 GPRESSURE: 2958200 118.364 3.75611 188.349 -20.043 416.896 54.0778 123.785 -21.9295 57.1893 PRESSAVG: 2958200 -38.4528 -38.8051 -49.6336 -38.8051 36.6853 -11.3638 -49.6336 -11.3637 -12.394 GPRESSAVG: 2958200 -39.4182 -39.9285 -49.9055 -39.4935 37.4411 -13.2938 -50.8722 -10.9653 -12.4874 TIMING: 2958200 CPU: 8573.34, 0.00291049/step Wall: 8573.34, 0.00291049/step, 1.65073 hours remaining, 208.093750 MB of memory in use. ENERGY: 2958200 784.9527 2070.7157 1953.9569 114.5760 -206886.7958 18204.6028 0.0000 0.0000 34392.5311 -149365.4606 300.3585 -183757.9917 -149272.7417 299.0790 163.1852 197.4831 556888.5738 -4.7205 -4.8215 PRESSURE: 2958400 -54.4712 40.0228 39.9757 40.0221 43.607 -35.6887 39.9768 -35.6873 -272.321 GPRESSURE: 2958400 -39.3472 79.2183 15.3848 -12.1066 83.621 -42.1548 -9.23531 14.0088 -223.051 PRESSAVG: 2958400 -18.6609 -31.6244 18.7162 -31.6244 73.3838 -18.3512 18.7161 -18.3512 -52.2224 GPRESSAVG: 2958400 -18.4921 -29.9792 18.2927 -29.457 72.6431 -16.6454 19.1287 -18.4702 -50.893 TIMING: 2958400 CPU: 8573.91, 0.00289126/step Wall: 8573.91, 0.00289126/step, 1.63966 hours remaining, 208.093750 MB of memory in use. ENERGY: 2958400 753.3020 2127.0496 1942.4603 107.5481 -206263.6791 17732.0075 0.0000 0.0000 34114.0351 -149487.2765 297.9264 -183601.3116 -149383.0643 299.0858 -94.3952 -59.5924 557401.6515 0.8335 1.0860 PRESSURE: 2958600 -17.1464 188.75 5.6043 188.75 23.4961 -144.762 5.60282 -144.763 -20.3853 GPRESSURE: 2958600 -45.6698 125.769 -15.8871 252.917 112.473 -100.368 -40.3992 -204.399 28.072 PRESSAVG: 2958600 -16.4684 22.459 28.5262 22.4589 74.1801 -56.059 28.5262 -56.0589 -77.2575 GPRESSAVG: 2958600 -16.597 20.3166 29.402 21.6481 74.6552 -56.859 28.0889 -57.0022 -78.045 TIMING: 2958600 CPU: 8574.49, 0.0028858/step Wall: 8574.49, 0.0028858/step, 1.63641 hours remaining, 208.093750 MB of memory in use. ENERGY: 2958600 791.5755 2091.1462 1939.7750 115.4570 -206548.7390 17848.3226 0.0000 0.0000 34080.3602 -149682.1025 297.6323 -183762.4627 -149586.0693 298.2093 -4.6785 31.6250 555555.9317 -6.5153 -6.6622 PRESSURE: 2958800 -130.233 141.314 -147.798 141.314 29.2573 80.1608 -147.799 80.1616 -150.47 GPRESSURE: 2958800 -132.086 80.5374 -40.9148 133.851 133.787 92.3301 -174.274 55.9208 -148.28 PRESSAVG: 2958800 -61.4257 21.4793 -31.7681 21.4793 28.5363 -17.7418 -31.768 -17.7419 65.8627 GPRESSAVG: 2958800 -62.7487 25.0246 -31.9628 19.5352 29.6343 -17.0943 -32.2153 -15.5951 65.9122 TIMING: 2958800 CPU: 8575.07, 0.00289725/step Wall: 8575.07, 0.00289725/step, 1.64274 hours remaining, 208.093750 MB of memory in use. ENERGY: 2958800 756.5331 2080.0053 1973.7020 116.6407 -206144.8022 17645.3013 0.0000 0.0000 34065.7071 -149506.9127 297.5043 -183572.6198 -149408.9815 298.1254 -83.8153 -48.8599 557686.4415 10.9911 10.9326 PRESSURE: 2959000 4.81378 -11.2352 -35.7055 -11.2355 72.4986 -63.9644 -35.7063 -63.964 32.7809 GPRESSURE: 2959000 50.8242 -87.2438 -16.9852 -7.35744 117.432 -61.5999 -69.2373 -54.8101 44.0619 PRESSAVG: 2959000 -7.85444 8.86715 -45.5764 8.86716 9.96406 41.0256 -45.5763 41.0255 -0.932658 GPRESSAVG: 2959000 -7.06179 7.12166 -44.6763 10.6861 8.75893 40.1122 -44.3427 40.4182 -0.467079 TIMING: 2959000 CPU: 8575.65, 0.00291926/step Wall: 8575.65, 0.00291926/step, 1.65506 hours remaining, 208.093750 MB of memory in use. ENERGY: 2959000 723.5175 2106.9414 1937.1678 114.7051 -206728.1406 18048.5262 0.0000 0.0000 34286.3041 -149510.9784 299.4308 -183797.2825 -149420.4507 298.8114 36.6978 70.7726 557824.7835 0.3923 0.4100 PRESSURE: 2959200 -131.911 -97.6304 18.2689 -97.6294 286.935 -67.9779 18.2684 -67.9774 211.363 GPRESSURE: 2959200 -64.0707 -137.255 18.0585 -82.3847 258.913 -34.7234 88.9529 -15.6332 264.654 PRESSAVG: 2959200 -39.3804 -51.271 15.0706 -51.2709 65.037 -11.9314 15.0705 -11.9313 9.72192 GPRESSAVG: 2959200 -40.2436 -50.5422 13.9404 -52.1747 65.2113 -9.61164 12.8034 -11.8897 10.33 TIMING: 2959200 CPU: 8576.24, 0.00291502/step Wall: 8576.24, 0.00291502/step, 1.65249 hours remaining, 208.093750 MB of memory in use. ENERGY: 2959200 715.7493 2070.0866 1995.6637 122.8494 -206611.8198 18016.3208 0.0000 0.0000 34150.6510 -149540.4989 298.2461 -183691.1499 -149443.4976 298.1426 122.1290 153.1654 557542.9507 11.7929 11.7659 PRESSURE: 2959400 -155.876 125.256 -22.2055 125.254 81.7702 16.0595 -22.2054 16.0615 -14.8198 GPRESSURE: 2959400 -127.832 43.3817 -2.38174 186.227 112.383 24.8777 -52.7108 -45.4493 37.3245 PRESSAVG: 2959400 -2.53827 5.79218 -41.767 5.79217 47.6599 -2.88069 -41.7669 -2.88068 -24.2091 GPRESSAVG: 2959400 -1.93878 3.46096 -41.7647 7.07968 48.1788 -6.12613 -38.998 -1.40312 -24.7972 TIMING: 2959400 CPU: 8576.82, 0.00290915/step Wall: 8576.82, 0.00290915/step, 1.649 hours remaining, 208.093750 MB of memory in use. ENERGY: 2959400 755.9080 2077.5197 1965.7234 112.4588 -206480.1849 17857.5447 0.0000 0.0000 34296.7439 -149414.2864 299.5220 -183711.0303 -149315.3349 298.5747 -29.6420 7.2917 558022.6683 6.9708 7.1476 PRESSURE: 2959600 123.671 151.67 -127.165 151.669 -137.645 68.1714 -127.166 68.1712 -73.9509 GPRESSURE: 2959600 176.559 181.859 -18.0418 107.916 -113.58 -18.2677 -164.761 88.1488 -51.6507 PRESSAVG: 2959600 36.1529 35.0121 -56.227 35.0121 -3.85556 -40.1115 -56.2271 -40.1114 -52.2825 GPRESSAVG: 2959600 36.1312 38.1099 -55.8307 32.6151 -5.12205 -40.4698 -57.4606 -41.3069 -51.1946 TIMING: 2959600 CPU: 8577.4, 0.00291383/step Wall: 8577.4, 0.00291383/step, 1.65149 hours remaining, 208.093750 MB of memory in use. ENERGY: 2959600 747.8053 2089.6128 1960.6249 117.2186 -206277.4684 17807.3632 0.0000 0.0000 34097.3061 -149457.5374 297.7803 -183554.8434 -149355.2481 298.8313 -29.3084 3.7759 558294.5230 -6.6617 -6.7285 PRESSURE: 2959800 -113.841 80.638 -29.3029 80.636 62.0501 41.2003 -29.305 41.2008 -41.4189 GPRESSURE: 2959800 -103.891 48.4555 24.6268 39.5799 92.2538 77.3232 -21.3742 1.38873 10.4546 PRESSAVG: 2959800 0.804754 14.5021 -40.3231 14.5021 -22.191 4.69042 -40.3231 4.69033 30.0456 GPRESSAVG: 2959800 0.996795 13.3599 -40.7441 14.9351 -22.1686 8.68785 -40.9341 3.39623 29.2643 TIMING: 2959800 CPU: 8577.99, 0.00292434/step Wall: 8577.99, 0.00292434/step, 1.65729 hours remaining, 208.093750 MB of memory in use. ENERGY: 2959800 754.5317 2066.6312 1962.8890 114.1753 -206356.6649 17861.5286 0.0000 0.0000 34161.2851 -149435.6240 298.3390 -183596.9091 -149336.6418 298.3263 -31.0699 -0.3942 558189.7025 2.8865 2.6975 PRESSURE: 2960000 -37.6773 -170.297 -185.149 -170.296 -47.2123 -1.91335 -185.149 -1.91377 -271.765 GPRESSURE: 2960000 -55.4782 -186.498 -186.486 -83.22 22.5475 34.1928 -210.059 -82.1104 -237.038 PRESSAVG: 2960000 -44.2004 -23.7249 -37.6894 -23.7248 59.6891 16.6012 -37.6894 16.6012 -26.7273 GPRESSAVG: 2960000 -44.696 -25.0781 -38.9581 -21.8902 59.4722 16.2699 -36.3635 14.8118 -26.8598 TIMING: 2960000 CPU: 8578.57, 0.00290114/step Wall: 8578.57, 0.00290114/step, 1.64398 hours remaining, 208.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2960000 732.5894 2091.0679 1944.5312 115.5682 -206139.7426 17583.9246 0.0000 0.0000 34292.5219 -149379.5395 299.4851 -183672.0614 -149281.9165 298.5221 -118.8850 -89.9897 557179.0567 -3.7462 -4.0279 PRESSURE: 2960200 -190.994 30.609 137.057 30.6099 -124.516 -162.009 137.058 -162.008 -40.041 GPRESSURE: 2960200 -122.017 39.4592 133.481 93.3844 -91.0976 -114.89 65.1034 -173.438 -32.1334 PRESSAVG: 2960200 12.4552 -29.0085 -14.9444 -29.0085 75.5836 -34.3627 -14.9445 -34.3627 -96.439 GPRESSAVG: 2960200 12.7325 -28.8218 -14.1234 -29.629 75.4299 -35.5933 -15.7589 -31.2623 -96.7896 TIMING: 2960200 CPU: 8579.15, 0.002894/step Wall: 8579.15, 0.002894/step, 1.63977 hours remaining, 208.093750 MB of memory in use. ENERGY: 2960200 789.9039 2104.6022 1983.6873 102.4009 -206257.1117 17783.5421 0.0000 0.0000 34308.2289 -149184.7464 299.6223 -183492.9753 -149077.8490 299.3629 -118.5172 -81.7494 557243.5061 -2.8001 -2.8757 LDB: ============= START OF LOAD BALANCING ============== 8582.53 LDB: ============== END OF LOAD BALANCING =============== 8582.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8582.53 LDB: ============= START OF LOAD BALANCING ============== 8582.83 LDB: Largest compute 4800 load 0.026949 is 22.9% of average load 0.117902 LDB: Average compute 0.001751 is 1.5% of average load 0.117902 LDB: TIME 8582.83 LOAD: AVG 0.117902 MAX 0.180798 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.379 MB LDB: TIME 8582.83 LOAD: AVG 0.117902 MAX 0.180798 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.379 MB LDB: TIME 8582.83 LOAD: AVG 0.117902 MAX 0.180798 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.379 MB LDB: ============== END OF LOAD BALANCING =============== 8582.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8582.83 PRESSURE: 2960400 -102.271 91.5925 44.9195 91.5933 -48.4432 134.582 44.9203 134.582 33.4131 GPRESSURE: 2960400 -43.9845 109.165 35.6477 66.1943 -23.0199 100.801 146.896 211.129 54.6597 PRESSAVG: 2960400 -24.2975 13.2711 17.0934 13.2712 -18.1532 31.6514 17.0934 31.6515 35.3534 GPRESSAVG: 2960400 -25.3072 13.6926 15.8915 12.3215 -18.0987 31.7473 17.1186 30.6964 36.234 TIMING: 2960400 CPU: 8579.74, 0.00296847/step Wall: 8579.74, 0.00296847/step, 1.68181 hours remaining, 209.382812 MB of memory in use. ENERGY: 2960400 731.9508 2078.8513 1923.3608 101.1427 -205753.1773 17420.5808 0.0000 0.0000 34274.2116 -149223.0794 299.3252 -183497.2910 -149126.8265 299.5797 -39.1003 -4.1149 555809.8809 -2.3658 -2.3906 PRESSURE: 2960600 -157.358 -42.7425 -86.3969 -42.7416 -53.0775 -47.3222 -86.3964 -47.3204 442.947 GPRESSURE: 2960600 -105.842 -48.2625 -80.971 -67.4179 -44.7177 19.9928 -103.054 -117.75 484.952 PRESSAVG: 2960600 -60.6882 15.965 24.5672 15.9649 77.8287 3.75103 24.5672 3.75101 -48.0668 GPRESSAVG: 2960600 -59.4702 15.6911 23.8074 16.5454 77.0013 4.09127 26.0602 2.24692 -48.6662 TIMING: 2960600 CPU: 8580.32, 0.00291622/step Wall: 8580.32, 0.00291622/step, 1.65204 hours remaining, 209.625000 MB of memory in use. ENERGY: 2960600 742.6800 2108.7770 1961.3397 116.7417 -206110.9781 17830.3702 0.0000 0.0000 34219.3834 -149131.6862 298.8464 -183351.0696 -149040.0285 299.6460 77.5036 111.4640 557072.6962 -10.3088 -10.3784 PRESSURE: 2960800 8.53224 -28.0614 -17.116 -28.063 -3.09811 -124.237 -17.1152 -124.237 -75.0129 GPRESSURE: 2960800 55.2157 -38.1394 100.788 -55.3617 12.0977 -55.405 -15.8862 -116.192 -37.5199 PRESSAVG: 2960800 63.4678 -35.8888 1.5884 -35.8888 -0.0232982 10.5023 1.5884 10.5023 -31.4041 GPRESSAVG: 2960800 62.7918 -35.6591 4.32357 -37.1667 0.793032 10.2832 -0.847793 12.7079 -31.6115 TIMING: 2960800 CPU: 8580.91, 0.00292416/step Wall: 8580.91, 0.00292416/step, 1.65637 hours remaining, 209.625000 MB of memory in use. ENERGY: 2960800 759.2670 2134.1980 1939.6927 114.9941 -206500.4703 17976.5692 0.0000 0.0000 34221.7420 -149354.0074 298.8670 -183575.7495 -149255.6168 299.3392 -23.1929 9.9312 557365.4701 10.6801 10.6578 PRESSURE: 2961000 -397.757 0.528659 -163.773 0.528016 -62.0862 132.367 -163.774 132.368 -116.98 GPRESSURE: 2961000 -302.698 24.18 -197.087 9.89269 -90.3974 110.568 -112.411 38.4209 -85.6188 PRESSAVG: 2961000 -83.3559 -22.4095 -88.5884 -22.4094 79.1745 7.52776 -88.5884 7.52767 39.6057 GPRESSAVG: 2961000 -82.7289 -21.6661 -89.3957 -20.5269 78.309 6.6544 -88.7085 7.94082 39.2872 TIMING: 2961000 CPU: 8581.49, 0.00292857/step Wall: 8581.49, 0.00292857/step, 1.65871 hours remaining, 209.753906 MB of memory in use. ENERGY: 2961000 774.5612 2078.9849 1954.9265 118.8019 -205916.8853 17593.1721 0.0000 0.0000 34217.4677 -149178.9709 298.8297 -183396.4386 -149081.8481 299.4446 -192.2745 -159.5713 557589.9845 11.8081 11.6224 PRESSURE: 2961200 -290.092 92.009 116.812 92.0088 -85.4221 39.5105 116.811 39.51 -164.403 GPRESSURE: 2961200 -245.962 129.952 167.43 71.0827 -92.1554 70.3779 94.1345 7.26466 -105.943 PRESSAVG: 2961200 -80.1543 47.1444 -9.92172 47.1444 22.0964 -10.0262 -9.92173 -10.0262 27.1057 GPRESSAVG: 2961200 -80.1289 45.7175 -9.53318 48.0297 21.0071 -9.37333 -8.10466 -9.58387 28.2298 TIMING: 2961200 CPU: 8582.08, 0.00291154/step Wall: 8582.08, 0.00291154/step, 1.6489 hours remaining, 209.753906 MB of memory in use. ENERGY: 2961200 745.8276 2082.8128 1958.6010 107.5291 -205752.7624 17427.7258 0.0000 0.0000 34439.4110 -148990.8550 300.7679 -183430.2660 -148896.9844 299.3698 -179.9725 -148.0202 556986.9290 -10.3174 -10.2974 PRESSURE: 2961400 -283.251 -67.8582 64.0808 -67.857 -61.1636 -46.8507 64.08 -46.8528 -12.5065 GPRESSURE: 2961400 -285.456 -99.8625 56.4869 -92.5362 -8.78146 -141.446 60.0649 -24.6955 48.3571 PRESSAVG: 2961400 -22.8313 -30.6265 6.09763 -30.6265 -6.31047 -14.3651 6.09756 -14.365 14.6366 GPRESSAVG: 2961400 -23.1882 -29.3705 4.15806 -31.8132 -4.81169 -14.4616 7.08169 -16.6655 13.8105 TIMING: 2961400 CPU: 8582.65, 0.00289491/step Wall: 8582.65, 0.00289491/step, 1.63932 hours remaining, 209.753906 MB of memory in use. ENERGY: 2961400 745.6824 2066.8548 1956.3496 113.2737 -206161.5038 17770.0606 0.0000 0.0000 34560.5923 -148948.6904 301.8262 -183509.2827 -148850.9023 299.5444 -118.9737 -81.9602 557689.7068 -4.8350 -4.7298 PRESSURE: 2961600 -123.378 21.9536 128.847 21.9548 -31.4577 77.3594 128.847 77.3606 232.548 GPRESSURE: 2961600 -8.15199 53.447 155.699 39.6578 -71.2168 19.029 108.102 85.0431 246.24 PRESSAVG: 2961600 -72.329 -48.5151 -21.2099 -48.5151 -8.2916 -46.8799 -21.2099 -46.88 46.7575 GPRESSAVG: 2961600 -71.9489 -48.4386 -18.5231 -48.6483 -9.81391 -46.6795 -22.4074 -46.2132 47.3227 TIMING: 2961600 CPU: 8583.24, 0.00291177/step Wall: 8583.24, 0.00291177/step, 1.64871 hours remaining, 209.753906 MB of memory in use. ENERGY: 2961600 740.5802 2073.2869 1948.9662 104.3065 -205850.2944 17835.9987 0.0000 0.0000 34149.7471 -148997.4087 298.2382 -183147.1558 -148902.3264 299.7830 25.9041 55.6237 558027.6031 -11.2877 -11.4800 PRESSURE: 2961800 -118.397 -57.323 30.1106 -57.3239 53.3675 -8.51622 30.1106 -8.51779 -183.905 GPRESSURE: 2961800 -101.515 -82.5673 33.4308 -35.5462 116.627 44.9065 -16.5003 -12.2414 -167.277 PRESSAVG: 2961800 16.8307 -19.958 59.0387 -19.958 -13.9218 16.2678 59.0387 16.2678 38.5487 GPRESSAVG: 2961800 15.5712 -20.7181 58.6597 -17.9464 -12.6052 14.8225 57.8462 16.9573 38.5493 TIMING: 2961800 CPU: 8583.82, 0.00289978/step Wall: 8583.82, 0.00289978/step, 1.64176 hours remaining, 209.753906 MB of memory in use. ENERGY: 2961800 754.6786 2065.9838 1943.9094 110.2597 -206298.5755 17827.6566 0.0000 0.0000 34486.7237 -149109.3637 301.1811 -183596.0874 -149012.5378 299.4456 -82.9779 -50.7217 556962.1638 13.8192 13.8384 PRESSURE: 2962000 -85.0939 15.9299 -85.1079 15.9307 39.1081 -4.8275 -85.1083 -4.8283 13.5552 GPRESSURE: 2962000 -84.2629 47.1817 -11.7646 6.3146 62.5502 -65.04 -214.438 46.7947 82.7025 PRESSAVG: 2962000 -45.4329 16.0349 0.0948021 16.035 76.2603 -23.9307 0.0947122 -23.9307 -19.2852 GPRESSAVG: 2962000 -45.773 16.3346 -0.683897 14.3496 77.2037 -22.8163 1.36711 -24.3388 -19.5174 TIMING: 2962000 CPU: 8584.4, 0.00290014/step Wall: 8584.4, 0.00290014/step, 1.6418 hours remaining, 209.753906 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: 2962000 713.5973 2052.1823 1988.8623 94.5712 -205853.2811 17688.7554 0.0000 0.0000 34191.8517 -149123.4609 298.6059 -183315.3125 -149026.8113 299.1688 -10.8102 20.3299 558122.6786 3.8474 3.9711 PRESSURE: 2962200 -31.0769 164.1 -158.462 164.101 89.4409 33.2575 -158.463 33.2578 -59.7081 GPRESSURE: 2962200 34.5324 107.118 -115.374 207.015 82.5325 -28.536 -171.82 76.8981 -15.9328 PRESSAVG: 2962200 -18.3862 31.8205 -46.0928 31.8205 23.1526 24.3007 -46.0928 24.3008 -51.4962 GPRESSAVG: 2962200 -17.3102 32.6917 -46.3513 33.1092 21.8475 24.2582 -46.2348 24.5496 -51.2775 TIMING: 2962200 CPU: 8584.98, 0.00290065/step Wall: 8584.98, 0.00290065/step, 1.64193 hours remaining, 209.753906 MB of memory in use. ENERGY: 2962200 728.4551 2038.3380 1990.1550 116.2573 -206069.8522 17862.7939 0.0000 0.0000 34310.1012 -149023.7516 299.6386 -183333.8528 -148929.6479 299.8008 -0.4480 33.7107 557633.3160 -15.5766 -15.5801 PRESSURE: 2962400 0.993846 -34.2071 -81.5973 -34.206 80.0575 -66.8238 -81.5957 -66.8239 65.3417 GPRESSURE: 2962400 12.8321 -4.37519 -101.748 -24.7174 132.413 58.1997 -66.1573 -166.407 93.5082 PRESSAVG: 2962400 -49.8003 -18.2298 -31.6627 -18.2299 -20.5618 21.3541 -31.6628 21.3541 53.0272 GPRESSAVG: 2962400 -49.2221 -21.4692 -30.5323 -17.8573 -19.5565 22.2838 -32.4808 19.5297 51.4492 TIMING: 2962400 CPU: 8585.56, 0.00290003/step Wall: 8585.56, 0.00290003/step, 1.64142 hours remaining, 209.753906 MB of memory in use. ENERGY: 2962400 751.7541 2075.3189 1957.4932 127.4907 -206244.8193 17901.2684 0.0000 0.0000 34373.7320 -149057.7620 300.1944 -183431.4940 -148962.3692 300.0550 48.7977 79.5843 558382.1863 -5.7783 -5.7765 PRESSURE: 2962600 -215.607 -18.8873 136.168 -18.8867 -160.507 -96.0667 136.169 -96.0669 -281.968 GPRESSURE: 2962600 -153.142 -53.9001 132.781 7.55802 -145.423 -125.608 179.589 -87.9768 -262.26 PRESSAVG: 2962600 13.9099 -24.7323 -51.963 -24.7323 -54.0515 -0.495747 -51.963 -0.49586 40.6168 GPRESSAVG: 2962600 13.2946 -21.9037 -55.5428 -25.1345 -54.7915 -2.50119 -50.0746 0.921818 41.4583 TIMING: 2962600 CPU: 8586.13, 0.00287121/step Wall: 8586.13, 0.00287121/step, 1.62494 hours remaining, 209.753906 MB of memory in use. ENERGY: 2962600 757.0541 2095.1583 1967.1335 106.6675 -205953.0380 17567.4467 0.0000 0.0000 34354.4057 -149105.1722 300.0256 -183459.5779 -149006.3551 300.2527 -219.3606 -186.9415 559391.5987 0.1584 -0.0129 PRESSURE: 2962800 3.11882 -221.453 70.0052 -221.453 -92.1166 -13.4248 70.005 -13.4258 82.7501 GPRESSURE: 2962800 36.9818 -241.469 144.965 -147.013 -68.4382 -36.1674 49.5835 46.8491 125.536 PRESSAVG: 2962800 35.4135 4.73222 32.217 4.73235 -15.73 20.0127 32.217 20.0128 21.1284 GPRESSAVG: 2962800 35.7014 5.42889 35.442 2.12366 -16.383 24.1988 29.3287 18.1918 21.6339 TIMING: 2962800 CPU: 8586.71, 0.00287547/step Wall: 8586.71, 0.00287547/step, 1.6272 hours remaining, 209.753906 MB of memory in use. ENERGY: 2962800 731.0955 2097.3710 1977.9547 108.6318 -206310.3478 17982.2500 0.0000 0.0000 34246.0005 -149167.0442 299.0788 -183413.0447 -149071.9270 299.5113 -2.0826 31.3599 558603.5052 13.6040 13.6508 PRESSURE: 2963000 -29.1694 -8.13062 -23.8209 -8.13087 -267.844 260.984 -23.8212 260.983 -263.32 GPRESSURE: 2963000 -24.5728 -30.7583 -40.8679 -12.474 -253.829 292.277 -2.45138 185.425 -193.361 PRESSAVG: 2963000 -71.4831 -10.5642 -14.6243 -10.5641 -38.348 16.9443 -14.6243 16.9443 73.1784 GPRESSAVG: 2963000 -71.5521 -11.3766 -14.8024 -7.38055 -38.0256 16.1359 -14.3009 17.6914 73.039 TIMING: 2963000 CPU: 8587.28, 0.00286603/step Wall: 8587.28, 0.00286603/step, 1.6217 hours remaining, 209.753906 MB of memory in use. ENERGY: 2963000 739.8149 2085.2014 2002.9435 110.0210 -205565.7772 17464.5254 0.0000 0.0000 33976.3958 -149186.8752 296.7243 -183163.2710 -149089.2552 298.3885 -186.7778 -157.2540 559463.6505 -12.2176 -12.1796 PRESSURE: 2963200 197.073 38.2461 -103.262 38.2466 184.827 -120.58 -103.262 -120.582 71.1191 GPRESSURE: 2963200 215.791 -5.55713 -57.47 61.7333 224.822 -151.198 -121.507 -141.073 101.418 PRESSAVG: 2963200 29.9616 -19.1783 -24.0806 -19.1784 -35.3503 -5.82242 -24.0806 -5.82249 55.1013 GPRESSAVG: 2963200 30.945 -19.7078 -23.4264 -20.8742 -35.2516 -6.72826 -23.1764 -4.48298 54.207 TIMING: 2963200 CPU: 8587.86, 0.00289942/step Wall: 8587.86, 0.00289942/step, 1.64043 hours remaining, 209.753906 MB of memory in use. ENERGY: 2963200 742.9398 2100.6095 1985.5715 107.1033 -206587.0477 18064.2202 0.0000 0.0000 34201.6329 -149384.9706 298.6914 -183586.6035 -149294.0835 298.9136 151.0064 180.6771 556450.6244 16.5709 16.6335 PRESSURE: 2963400 -253.578 -7.77764 -90.8154 -7.77869 -155.76 11.8333 -90.8154 11.8331 248.113 GPRESSURE: 2963400 -192.888 59.7489 43.1224 -19.2629 -73.2705 -10.0408 -177.146 -13.5125 226.207 PRESSAVG: 2963400 -66.6832 23.4867 -53.2602 23.4868 41.3809 -41.2251 -53.2602 -41.2251 7.98307 GPRESSAVG: 2963400 -68.4585 23.419 -53.9147 24.9175 42.8181 -41.631 -52.3587 -42.5082 8.32189 TIMING: 2963400 CPU: 8588.44, 0.00290456/step Wall: 8588.44, 0.00290456/step, 1.64318 hours remaining, 209.753906 MB of memory in use. ENERGY: 2963400 740.3933 2132.5167 1967.7517 113.2905 -206716.4783 17919.5104 0.0000 0.0000 34105.4158 -149737.5999 297.8511 -183843.0157 -149637.6867 297.9823 -53.7416 -13.3171 557708.4013 -5.7731 -5.7728 PRESSURE: 2963600 47.9245 -147.808 -110.187 -147.808 12.0592 30.1162 -110.187 30.1164 108.249 GPRESSURE: 2963600 113.372 -136.088 -138.918 -129.283 60.5137 26.8247 -92.7321 -71.3984 99.3322 PRESSAVG: 2963600 -82.2653 14.0651 -69.3087 14.0651 33.6371 9.4526 -69.3086 9.45256 24.1074 GPRESSAVG: 2963600 -82.0597 12.5955 -68.7599 13.8856 34.423 8.3949 -69.3729 12.7697 23.2143 TIMING: 2963600 CPU: 8589.02, 0.00290545/step Wall: 8589.02, 0.00290545/step, 1.64351 hours remaining, 209.753906 MB of memory in use. ENERGY: 2963600 743.8268 2106.2914 1982.4834 116.3245 -206190.8246 17784.3108 0.0000 0.0000 33944.5933 -149512.9944 296.4466 -183457.5878 -149427.1348 298.1374 56.0776 91.0725 556486.9569 -8.1736 -8.1408 PRESSURE: 2963800 -137.096 -112.279 -146.259 -112.28 -313.648 128.447 -146.26 128.445 -1.44721 GPRESSURE: 2963800 -45.1927 -87.2636 -89.7649 -102.178 -302.021 25.3192 -212.418 149.191 2.85712 PRESSAVG: 2963800 -5.07265 -3.13101 -25.751 -3.13105 90.3513 17.759 -25.751 17.759 -62.1811 GPRESSAVG: 2963800 -4.54388 -0.333339 -26.3969 -3.69244 88.556 18.1769 -26.9756 15.5067 -61.1745 TIMING: 2963800 CPU: 8589.6, 0.00289487/step Wall: 8589.6, 0.00289487/step, 1.63737 hours remaining, 209.753906 MB of memory in use. ENERGY: 2963800 744.9196 2069.0945 1981.0460 124.1967 -206477.2116 17681.6315 0.0000 0.0000 34341.4440 -149534.8792 299.9124 -183876.3232 -149437.0683 297.8339 -150.7302 -114.7854 557319.5998 7.6992 7.6126 PRESSURE: 2964000 -117.846 126.205 57.0495 126.204 -35.5063 -65.4107 57.05 -65.4087 -163.338 GPRESSURE: 2964000 -95.5785 106.116 -64.769 133.765 -9.61069 -27.2017 124.489 -18.001 -98.3919 PRESSAVG: 2964000 -40.3066 -4.67035 -1.86952 -4.67047 63.1035 3.66537 -1.86954 3.66535 -15.6331 GPRESSAVG: 2964000 -40.8211 -5.10537 -1.91947 -4.46353 63.8021 4.00828 -0.641645 3.97354 -15.5161 TIMING: 2964000 CPU: 8590.18, 0.0029167/step Wall: 8590.18, 0.0029167/step, 1.64956 hours remaining, 209.753906 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: 2964000 719.5824 2077.1894 1965.5923 115.2790 -206119.8978 17685.2169 0.0000 0.0000 34147.8400 -149409.1978 298.2216 -183557.0378 -149306.8611 298.2222 -105.5635 -67.8604 559007.5201 2.3879 2.4883 PRESSURE: 2964200 -60.735 -57.9012 206.113 -57.901 -223.401 8.97469 206.112 8.97587 52.7257 GPRESSURE: 2964200 -18.8525 68.0271 147.301 -59.0731 -191.844 -56.7066 187.038 66.8017 85.9263 PRESSAVG: 2964200 23.5155 -68.4655 32.2779 -68.4654 -55.9328 -56.9629 32.2779 -56.9628 3.20537 GPRESSAVG: 2964200 23.1869 -69.1119 30.9386 -68.5458 -56.0344 -55.0359 33.2373 -58.3893 3.79238 TIMING: 2964200 CPU: 8590.77, 0.00292254/step Wall: 8590.77, 0.00292254/step, 1.65269 hours remaining, 209.753906 MB of memory in use. ENERGY: 2964200 736.0173 2086.1240 1977.0577 115.6590 -206198.5049 17755.5115 0.0000 0.0000 34305.7922 -149222.3431 299.6010 -183528.1353 -149126.5480 298.5744 -77.1367 -41.5899 560183.0519 -9.7373 -9.6850 LDB: ============= START OF LOAD BALANCING ============== 8594.15 LDB: ============== END OF LOAD BALANCING =============== 8594.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8594.16 LDB: ============= START OF LOAD BALANCING ============== 8594.45 LDB: Largest compute 4801 load 0.026438 is 22.4% of average load 0.117907 LDB: Average compute 0.001751 is 1.5% of average load 0.117907 LDB: TIME 8594.45 LOAD: AVG 0.117907 MAX 0.179774 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.672 MB LDB: TIME 8594.45 LOAD: AVG 0.117907 MAX 0.179774 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 8594.45 LOAD: AVG 0.117907 MAX 0.179774 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: ============== END OF LOAD BALANCING =============== 8594.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8594.45 PRESSURE: 2964400 -197.194 92.457 -87.4397 92.4563 -192.643 9.74479 -87.44 9.74195 -154.416 GPRESSURE: 2964400 -127.398 72.3822 -71.7968 109.142 -166.733 3.3365 -67.2039 5.76327 -148.298 PRESSAVG: 2964400 -38.5094 -14.3481 9.46121 -14.3481 -33.8318 -20.398 9.46127 -20.3981 149.963 GPRESSAVG: 2964400 -37.2901 -15.5642 10.853 -14.5122 -34.0877 -22.0952 8.54627 -19.8396 148.74 TIMING: 2964400 CPU: 8591.36, 0.0029561/step Wall: 8591.36, 0.0029561/step, 1.67151 hours remaining, 209.519531 MB of memory in use. ENERGY: 2964400 754.0014 2124.5318 1968.5698 106.2475 -206197.5467 17676.0651 0.0000 0.0000 34332.1331 -149235.9980 299.8311 -183568.1311 -149143.6958 299.5911 -181.4178 -147.4763 557175.5608 25.8738 25.7875 PRESSURE: 2964600 179.16 50.8783 -7.82075 50.8789 193.822 16.5959 -7.82001 16.5945 -96.8599 GPRESSURE: 2964600 221.189 68.9322 6.67461 24.6373 189.413 -31.2646 -58.3936 28.6849 -37.4364 PRESSAVG: 2964600 31.0264 -7.46369 1.28311 -7.4637 39.6859 -8.13461 1.28306 -8.13458 -32.2386 GPRESSAVG: 2964600 30.7935 -6.38596 2.18369 -5.69897 39.0772 -7.95635 -0.430097 -7.24889 -31.8149 TIMING: 2964600 CPU: 8591.94, 0.00290544/step Wall: 8591.94, 0.00290545/step, 1.64271 hours remaining, 209.718750 MB of memory in use. ENERGY: 2964600 743.3847 2099.5952 1977.8053 120.4916 -206614.7327 18106.1085 0.0000 0.0000 34275.6749 -149291.6726 299.3380 -183567.3475 -149193.1984 299.2241 92.0408 124.3885 557806.2435 12.8245 12.6853 PRESSURE: 2964800 -92.9068 -6.56706 14.0493 -6.56691 -72.4228 -2.05771 14.0497 -2.05693 -114.265 GPRESSURE: 2964800 -75.6186 -108.982 18.6507 -23.1232 -21.4283 15.0447 -41.578 -9.21807 -93.5465 PRESSAVG: 2964800 53.902 -11.9697 -20.5847 -11.9697 -22.0075 15.3989 -20.5846 15.3988 -13.4523 GPRESSAVG: 2964800 53.2769 -13.1494 -22.7539 -12.383 -21.5912 14.6672 -18.7381 15.9278 -13.1178 TIMING: 2964800 CPU: 8592.52, 0.00291475/step Wall: 8592.52, 0.00291475/step, 1.6478 hours remaining, 209.718750 MB of memory in use. ENERGY: 2964800 693.9700 2094.5887 1967.7000 109.6414 -206196.5153 17609.7959 0.0000 0.0000 34252.7769 -149468.0423 299.1380 -183720.8192 -149367.5149 298.8602 -93.1981 -63.5311 557487.3920 6.1474 6.1893 PRESSURE: 2965000 -191.871 -92.0476 -39.7081 -92.0487 -58.4832 -96.4855 -39.7083 -96.4849 118.688 GPRESSURE: 2965000 -118.017 -145.183 -41.8797 -36.4148 -15.7257 -49.0387 -42.0764 -107.738 89.3096 PRESSAVG: 2965000 -17.2085 4.20293 -47.0269 4.20296 38.7322 -44.7171 -47.0268 -44.7171 5.68457 GPRESSAVG: 2965000 -17.5112 5.64287 -45.4183 4.13686 38.8004 -45.0556 -48.2003 -43.6557 5.962 TIMING: 2965000 CPU: 8593.1, 0.00289899/step Wall: 8593.1, 0.00289899/step, 1.63873 hours remaining, 209.718750 MB of memory in use. ENERGY: 2965000 725.6264 2076.2599 1965.5475 116.7755 -206240.6569 17764.9464 0.0000 0.0000 34167.9575 -149423.5437 298.3973 -183591.5012 -149328.3749 298.8592 -43.8887 -14.8109 556433.6965 9.0694 9.0838 PRESSURE: 2965200 -102.008 -23.6483 4.39877 -23.6481 125.382 50.5659 4.39837 50.565 62.7092 GPRESSURE: 2965200 -74.6522 -85.8219 60.1355 -54.4759 179.412 74.5863 19.0702 60.5513 73.0576 PRESSAVG: 2965200 -67.3191 -5.95915 14.4781 -5.95903 12.4884 -15.3652 14.4781 -15.3653 -3.48488 GPRESSAVG: 2965200 -67.4123 -6.30214 14.501 -7.1437 12.3311 -15.7747 14.8255 -17.3881 -3.5431 TIMING: 2965200 CPU: 8593.68, 0.00288681/step Wall: 8593.68, 0.00288681/step, 1.63169 hours remaining, 209.718750 MB of memory in use. ENERGY: 2965200 743.5692 2039.0322 1980.2093 124.1336 -206492.3245 17949.7822 0.0000 0.0000 34210.5263 -149445.0717 298.7690 -183655.5980 -149355.6771 298.4426 28.6944 59.2723 557252.2050 -19.4385 -19.5414 PRESSURE: 2965400 -154.325 70.4193 106.349 70.4194 -331.364 -64.3934 106.35 -64.3918 -266.745 GPRESSURE: 2965400 -71.3983 -5.76503 4.27019 73.4767 -336.185 -62.6251 152.317 -0.493345 -243.923 PRESSAVG: 2965400 20.7573 -31.9255 -54.0213 -31.9254 0.0448709 -4.74304 -54.0213 -4.74299 46.6322 GPRESSAVG: 2965400 22.0767 -32.3182 -55.4884 -30.3707 -0.229174 -2.97196 -53.6624 -4.27707 45.7815 TIMING: 2965400 CPU: 8594.27, 0.00292659/step Wall: 8594.27, 0.00292659/step, 1.65401 hours remaining, 209.718750 MB of memory in use. ENERGY: 2965400 748.4311 2105.6334 1968.8617 101.4309 -205676.9796 17441.6123 0.0000 0.0000 34141.2359 -149169.7743 298.1639 -183311.0102 -149074.4205 298.8535 -250.8116 -217.1689 557961.8408 22.4781 22.5430 PRESSURE: 2965600 -11.7931 85.9342 68.0323 85.9337 -50.6179 -67.7054 68.0327 -67.7056 137.179 GPRESSURE: 2965600 67.4304 20.2375 26.5704 137.19 0.419955 -38.7188 184.827 -57.351 108.686 PRESSAVG: 2965600 51.3356 26.9776 -55.572 26.9776 -69.5831 26.6007 -55.5721 26.6007 9.51632 GPRESSAVG: 2965600 52.8852 28.009 -54.0726 25.0119 -70.5114 24.5417 -56.3028 25.0961 9.07765 TIMING: 2965600 CPU: 8594.85, 0.00291838/step Wall: 8594.85, 0.00291838/step, 1.64921 hours remaining, 209.718750 MB of memory in use. ENERGY: 2965600 730.6641 2136.1730 1962.8006 120.4148 -206292.7828 17907.3717 0.0000 0.0000 34298.6192 -149136.7394 299.5384 -183435.3586 -149033.7223 299.6822 24.9228 58.8455 557816.8752 -2.9104 -2.8495 PRESSURE: 2965800 -466.558 89.8871 -59.033 89.8869 -63.8972 25.0918 -59.0336 25.0913 -420.587 GPRESSURE: 2965800 -443.59 131.462 -62.3863 95.1433 -33.8692 78.5575 22.8325 23.0837 -371.015 PRESSAVG: 2965800 -19.1956 10.2884 -7.58375 10.2885 10.6876 -71.7123 -7.58369 -71.7124 -18.6591 GPRESSAVG: 2965800 -21.718 10.5555 -7.27957 11.3941 12.9754 -70.6811 -6.07025 -71.1149 -18.2001 TIMING: 2965800 CPU: 8595.43, 0.0029064/step Wall: 8595.43, 0.0029064/step, 1.64228 hours remaining, 209.718750 MB of memory in use. ENERGY: 2965800 742.4230 2130.3280 1956.6581 120.9084 -205899.5041 17571.6611 0.0000 0.0000 34211.9119 -149165.6136 298.7811 -183377.5254 -149064.7194 299.4282 -317.0142 -282.8248 558936.0214 -9.0557 -8.9809 PRESSURE: 2966000 70.8564 -2.54681 104.711 -2.5466 -233.472 73.6153 104.71 73.6152 -94.4543 GPRESSURE: 2966000 51.8853 -21.3332 -34.0212 -7.47033 -178.701 107.472 83.2272 6.77907 -29.9999 PRESSAVG: 2966000 9.5749 43.2789 -23.8309 43.279 71.4031 9.42238 -23.8309 9.42251 -97.1 GPRESSAVG: 2966000 11.265 41.6473 -25.8341 42.103 70.3708 8.92059 -26.8806 8.91324 -97.25 TIMING: 2966000 CPU: 8596.01, 0.00290494/step Wall: 8596.01, 0.00290495/step, 1.64129 hours remaining, 209.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2966000 771.0329 2166.6035 1966.0893 118.0865 -206292.5810 17688.0505 0.0000 0.0000 34442.7945 -149139.9239 300.7975 -183582.7184 -149047.4182 299.8718 -85.6901 -52.2719 556690.1755 -5.3740 -5.2047 PRESSURE: 2966200 18.9673 40.0123 -50.1599 40.0118 -197.302 40.2885 -50.1594 40.288 44.7038 GPRESSURE: 2966200 71.5606 46.0246 37.2237 -52.4376 -102.246 22.2823 -53.054 85.9949 -10.2438 PRESSAVG: 2966200 5.09637 17.4498 -33.4605 17.4499 -18.3512 -20.33 -33.4606 -20.3301 12.3335 GPRESSAVG: 2966200 4.67536 17.7502 -33.6289 18.0911 -18.9922 -20.3506 -31.5526 -20.7635 13.4788 TIMING: 2966200 CPU: 8596.59, 0.00290689/step Wall: 8596.59, 0.00290689/step, 1.64223 hours remaining, 209.800781 MB of memory in use. ENERGY: 2966200 734.5424 2169.1664 1983.9049 107.0433 -206057.5869 17717.9030 0.0000 0.0000 34170.7667 -149174.2601 298.4218 -183345.0268 -149080.7897 299.9975 -44.5436 -13.6431 555820.0171 -0.3071 -0.2794 PRESSURE: 2966400 62.2329 -325.39 13.0624 -325.389 -167.206 -44.9177 13.0612 -44.9187 -173.767 GPRESSURE: 2966400 30.7192 -272.85 33.0175 -358.245 -94.2746 20.7853 28.0948 -16.7018 -114.299 PRESSAVG: 2966400 -1.77623 11.2943 -14.9602 11.2943 41.9914 14.9521 -14.9601 14.9521 15.1942 GPRESSAVG: 2966400 -3.21197 8.80691 -13.5122 11.7394 43.3987 15.0015 -17.1391 17.5754 14.9833 TIMING: 2966400 CPU: 8597.17, 0.00290949/step Wall: 8597.17, 0.00290949/step, 1.64354 hours remaining, 209.800781 MB of memory in use. ENERGY: 2966400 784.6460 2104.1677 1984.6109 112.6212 -205977.3069 17536.1891 0.0000 0.0000 34393.6832 -149061.3888 300.3686 -183455.0719 -148963.6700 300.1997 -92.9133 -59.2847 557095.3151 18.4698 18.3900 PRESSURE: 2966600 -148.144 40.0909 -48.3271 40.0909 -64.8803 20.5249 -48.3268 20.5233 66.9604 GPRESSURE: 2966600 -111.139 -38.1985 -107.753 102.11 -2.93287 16.8558 -53.1703 12.8952 67.0059 PRESSAVG: 2966600 -10.3196 -46.7875 -26.7144 -46.7876 39.9187 10.7075 -26.7144 10.7075 -32.6412 GPRESSAVG: 2966600 -9.81099 -44.4263 -28.2042 -47.3021 39.4681 12.3134 -25.075 9.32875 -32.3218 TIMING: 2966600 CPU: 8597.76, 0.00291196/step Wall: 8597.76, 0.00291196/step, 1.64477 hours remaining, 209.800781 MB of memory in use. ENERGY: 2966600 684.4949 2075.8425 1962.0543 107.5134 -205925.9138 17565.7945 0.0000 0.0000 34398.9091 -149131.3051 300.4142 -183530.2141 -149025.2512 300.2092 -48.6879 -15.6887 557818.3556 -1.0140 -0.8882 PRESSURE: 2966800 41.6041 -21.2595 -203.017 -21.2588 -59.6377 -7.23885 -203.017 -7.2403 -49.3776 GPRESSURE: 2966800 50.572 -154.478 -94.7618 74.6402 -12.6959 -53.3765 -246.522 16.288 0.0713357 PRESSAVG: 2966800 -69.2922 -10.9974 -60.6701 -10.9974 64.7393 1.85327 -60.6702 1.85334 1.4668 GPRESSAVG: 2966800 -69.7299 -10.6288 -58.3896 -9.5217 64.1915 -0.396843 -60.9391 3.17973 2.59172 TIMING: 2966800 CPU: 8598.34, 0.00291165/step Wall: 8598.34, 0.00291164/step, 1.64443 hours remaining, 209.800781 MB of memory in use. ENERGY: 2966800 731.2012 2086.1192 1959.4389 113.1734 -205932.2886 17696.0060 0.0000 0.0000 34292.2928 -149054.0572 299.4831 -183346.3500 -148962.9084 299.6042 -22.4704 12.6492 557482.1281 -1.0287 -0.9822 PRESSURE: 2967000 279.302 186.739 -29.5837 186.74 -317.069 0.92949 -29.5827 0.928962 117.089 GPRESSURE: 2967000 287.587 161.77 -8.19188 228.38 -237.215 11.4288 -45.4905 -7.49716 114.335 PRESSAVG: 2967000 20.5735 -1.13007 -11.7983 -1.13003 -23.1231 11.4224 -11.7981 11.4224 34.3277 GPRESSAVG: 2967000 21.4433 -2.06022 -13.685 -1.83689 -22.1504 12.6327 -11.5608 11.1255 32.8938 TIMING: 2967000 CPU: 8598.92, 0.00290553/step Wall: 8598.92, 0.00290553/step, 1.64082 hours remaining, 209.800781 MB of memory in use. ENERGY: 2967000 699.5310 2122.8128 1949.5008 100.9783 -205811.9381 17609.0051 0.0000 0.0000 34230.3353 -149099.7748 298.9420 -183330.1101 -149004.8654 299.8209 26.4408 54.9024 557013.8519 10.5927 10.7289 PRESSURE: 2967200 55.3389 107.914 37.6749 107.915 79.9827 -1.2803 37.6729 -1.27961 64.0071 GPRESSURE: 2967200 34.1588 57.4776 50.2022 88.1972 124.628 6.463 -4.70975 55.2535 141.646 PRESSAVG: 2967200 12.8815 7.57595 -30.1378 7.57599 -58.6814 -2.56702 -30.1379 -2.567 26.0021 GPRESSAVG: 2967200 13.6174 8.66109 -28.6171 5.06698 -59.8053 -2.01609 -30.3393 -5.43397 26.0043 TIMING: 2967200 CPU: 8599.5, 0.00291762/step Wall: 8599.5, 0.00291762/step, 1.64748 hours remaining, 209.800781 MB of memory in use. ENERGY: 2967200 749.9885 2118.5043 1980.0967 100.6748 -206502.7448 17908.1889 0.0000 0.0000 34427.6105 -149217.6811 300.6649 -183645.2916 -149120.6556 299.8095 66.4429 100.1443 557616.8520 -6.5993 -6.7278 PRESSURE: 2967400 -113.297 12.8138 -53.4885 12.813 -188.468 153.2 -53.4887 153.201 -22.9627 GPRESSURE: 2967400 -142.948 28.6795 -59.1078 -27.2912 -162.62 177.14 15.5607 121.545 84.1289 PRESSAVG: 2967400 -60.0252 -10.7442 15.8881 -10.7442 36.706 -10.8495 15.8881 -10.8495 53.3368 GPRESSAVG: 2967400 -61.1765 -10.3525 13.4545 -8.85642 37.7365 -11.9793 16.7457 -10.0491 53.4776 TIMING: 2967400 CPU: 8600.09, 0.00290701/step Wall: 8600.09, 0.00290701/step, 1.64133 hours remaining, 209.800781 MB of memory in use. ENERGY: 2967400 763.8675 2087.5228 1957.3870 121.9455 -206112.7821 17750.6417 0.0000 0.0000 34295.1254 -149136.2922 299.5079 -183431.4176 -149043.8703 299.8722 -108.2426 -73.8127 559325.7195 10.0059 10.0125 PRESSURE: 2967600 -14.89 -24.0592 -59.057 -24.0583 13.8571 -28.1664 -59.0571 -28.1662 -69.9454 GPRESSURE: 2967600 27.7069 61.379 -53.2563 22.9661 14.9583 -98.5452 -59.3829 52.7858 -20.398 PRESSAVG: 2967600 26.528 7.11409 17.1835 7.11406 -39.4116 -20.9463 17.1835 -20.9463 -38.5005 GPRESSAVG: 2967600 25.5817 5.63175 19.5944 7.69975 -39.4638 -19.3565 15.6678 -21.4191 -37.6127 TIMING: 2967600 CPU: 8600.66, 0.00289614/step Wall: 8600.66, 0.00289614/step, 1.63503 hours remaining, 209.800781 MB of memory in use. ENERGY: 2967600 745.7358 2066.8422 2003.8747 117.2771 -205851.6358 17640.8001 0.0000 0.0000 34202.3208 -149074.7852 298.6974 -183277.1059 -148981.1434 299.4096 -23.6594 7.4224 557500.0335 -17.1280 -17.1649 PRESSURE: 2967800 210.867 161.614 35.2408 161.614 -14.6681 -66.2711 35.2413 -66.2707 -253.602 GPRESSURE: 2967800 209.14 196.512 -0.675374 49.8676 65.4303 -102.064 11.7026 -100.206 -243.734 PRESSAVG: 2967800 -23.8289 -62.6951 1.6542 -62.6951 63.4822 -10.9327 1.65407 -10.9328 -22.167 GPRESSAVG: 2967800 -22.6967 -62.6049 0.575617 -62.656 63.5824 -11.7585 1.40592 -11.0084 -23.7046 TIMING: 2967800 CPU: 8601.24, 0.00289133/step Wall: 8601.24, 0.00289133/step, 1.63216 hours remaining, 209.800781 MB of memory in use. ENERGY: 2967800 755.6533 2145.7551 1960.9058 118.6748 -206027.5322 17636.7563 0.0000 0.0000 34339.8969 -149069.8901 299.8989 -183409.7870 -148973.4115 300.0293 -19.1346 10.2787 558302.9485 5.8288 5.7270 PRESSURE: 2968000 -155.415 -74.7296 55.6397 -74.7298 16.3984 -41.3833 55.6396 -41.383 -80.5746 GPRESSURE: 2968000 -137.273 -109.965 7.82262 -115.737 90.9686 -64.016 104.703 114.258 -68.8813 PRESSAVG: 2968000 24.8569 -51.1509 53.8127 -51.1508 -35.9495 -1.42507 53.8127 -1.42509 20.5363 GPRESSAVG: 2968000 24.4995 -49.5916 53.0439 -52.6119 -35.3138 -2.71333 53.1547 0.758255 20.2407 TIMING: 2968000 CPU: 8601.82, 0.0028859/step Wall: 8601.82, 0.0028859/step, 1.62893 hours remaining, 209.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2968000 752.1552 2092.8293 1957.5559 108.6127 -205994.5282 17647.1588 0.0000 0.0000 34370.7293 -149065.4870 300.1681 -183436.2163 -148963.6821 300.2698 -73.1972 -38.3954 557305.7470 3.1479 3.1421 PRESSURE: 2968200 -14.6273 -65.5162 -83.6681 -65.5153 2.18473 96.6715 -83.6672 96.6711 -100.189 GPRESSURE: 2968200 49.9508 10.6516 -65.2248 -66.5023 -56.1797 125.884 -76.3523 63.4012 -1.9455 PRESSAVG: 2968200 -39.6413 -17.0233 79.5749 -17.0233 58.2393 -23.4727 79.5749 -23.4727 -36.274 GPRESSAVG: 2968200 -38.8698 -18.8385 80.9502 -14.99 55.8318 -22.5711 80.2344 -26.0933 -34.5312 TIMING: 2968200 CPU: 8602.4, 0.00288213/step Wall: 8602.4, 0.00288213/step, 1.62664 hours remaining, 209.800781 MB of memory in use. ENERGY: 2968200 761.5434 2055.4774 1956.0479 125.4996 -206242.0970 17882.7335 0.0000 0.0000 34421.0324 -149039.7630 300.6074 -183460.7953 -148944.8479 300.8280 -37.5438 -2.7248 558146.9941 -5.8920 -5.8564 LDB: ============= START OF LOAD BALANCING ============== 8605.78 LDB: ============== END OF LOAD BALANCING =============== 8605.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8605.78 LDB: ============= START OF LOAD BALANCING ============== 8606.08 LDB: Largest compute 4800 load 0.027563 is 23.4% of average load 0.117892 LDB: Average compute 0.001752 is 1.5% of average load 0.117892 LDB: TIME 8606.08 LOAD: AVG 0.117892 MAX 0.179106 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.953 MB LDB: TIME 8606.08 LOAD: AVG 0.117892 MAX 0.179106 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: TIME 8606.08 LOAD: AVG 0.117892 MAX 0.179106 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8606.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8606.08 PRESSURE: 2968400 108.771 12.1724 148.605 12.172 -26.2614 134.331 148.605 134.332 52.2024 GPRESSURE: 2968400 83.0019 49.4615 160.35 -70.6208 20.5267 202.343 85.8943 113.184 131.642 PRESSAVG: 2968400 28.5252 6.27119 19.6594 6.2711 -53.5216 32.3019 19.6593 32.3019 39.5664 GPRESSAVG: 2968400 27.5741 9.09904 19.0494 4.76706 -51.6343 31.3337 19.6921 33.7599 37.9194 TIMING: 2968400 CPU: 8602.99, 0.00296344/step Wall: 8602.99, 0.00296344/step, 1.67237 hours remaining, 208.250000 MB of memory in use. ENERGY: 2968400 764.1228 2120.5348 1963.6146 128.1156 -206471.6048 17916.8533 0.0000 0.0000 34468.8212 -149109.5425 301.0248 -183578.3637 -149016.3309 300.1924 44.9040 78.3900 556620.1985 4.8567 4.6198 PRESSURE: 2968600 -72.3932 192.179 199.911 192.178 -133.845 -99.7991 199.91 -99.7969 194.498 GPRESSURE: 2968600 -52.9492 207.274 198.29 167.527 -96.7527 -88.8381 146.615 -65.8713 229.254 PRESSAVG: 2968600 70.6761 -50.0806 34.4969 -50.0806 -25.2088 11.1941 34.497 11.1941 -43.8793 GPRESSAVG: 2968600 71.7379 -52.9961 36.0283 -47.0302 -26.3531 10.8609 32.6297 12.4417 -43.3805 TIMING: 2968600 CPU: 8603.57, 0.00289986/step Wall: 8603.57, 0.00289986/step, 1.63633 hours remaining, 208.250000 MB of memory in use. ENERGY: 2968600 744.5108 2090.3616 1984.6253 110.0105 -206305.6531 17866.9341 0.0000 0.0000 34378.7837 -149130.4270 300.2385 -183509.2107 -149031.8845 299.8317 -3.9134 26.5175 557670.7773 0.5293 0.6681 PRESSURE: 2968800 -142.708 -61.8669 30.5313 -61.8665 62.7504 -60.1785 30.5324 -60.1795 -52.5126 GPRESSURE: 2968800 -75.3136 -59.6201 48.4711 -69.6359 63.1173 -113.507 -2.89077 -72.7303 -22.3792 PRESSAVG: 2968800 -14.914 -48.6103 4.46946 -48.6103 -13.323 -20.6923 4.46944 -20.6924 53.7502 GPRESSAVG: 2968800 -15.7754 -47.0189 3.69806 -50.1154 -13.3116 -19.1663 5.45223 -23.5271 54.376 TIMING: 2968800 CPU: 8604.15, 0.00289906/step Wall: 8604.15, 0.00289906/step, 1.63571 hours remaining, 208.250000 MB of memory in use. ENERGY: 2968800 737.5438 2116.2701 1980.6113 111.9704 -206308.1195 17769.9132 0.0000 0.0000 34208.8707 -149382.9401 298.7546 -183591.8109 -149286.2647 299.7220 -44.1569 -11.5252 556949.6536 8.5044 8.4297 PRESSURE: 2969000 -45.2278 -42.2273 86.902 -42.2277 -196.316 -62.8753 86.9036 -62.8746 -312.89 GPRESSURE: 2969000 -73.1006 -66.2449 121.018 -8.46636 -124.566 -32.1793 40.7238 -164.59 -265.049 PRESSAVG: 2969000 -20.724 6.97088 10.7606 6.97083 53.2035 -57.5443 10.7605 -57.5442 -59.1264 GPRESSAVG: 2969000 -21.4732 6.1182 9.71138 7.35269 54.5892 -58.9579 12.4918 -56.6411 -60.4224 TIMING: 2969000 CPU: 8604.73, 0.00290707/step Wall: 8604.73, 0.00290707/step, 1.64007 hours remaining, 208.250000 MB of memory in use. ENERGY: 2969000 781.3383 2078.0848 1962.9486 120.7944 -206190.2025 17661.1633 0.0000 0.0000 34306.3948 -149279.4784 299.6063 -183585.8732 -149184.5026 298.9923 -184.8115 -154.2387 557163.0125 -8.8823 -9.1021 PRESSURE: 2969200 -94.919 47.1872 -102.865 47.1885 -53.0379 93.291 -102.865 93.2911 -50.5699 GPRESSURE: 2969200 -120.967 47.3234 -96.9929 25.8407 0.932484 174.087 -112.166 74.1451 22.7801 PRESSAVG: 2969200 -8.67651 5.79764 -2.35963 5.79765 41 0.75854 -2.35961 0.75857 -61.6002 GPRESSAVG: 2969200 -8.22776 5.67796 -1.15635 6.96991 40.3607 1.8199 -4.52994 1.77315 -61.4122 TIMING: 2969200 CPU: 8605.31, 0.00290192/step Wall: 8605.31, 0.00290192/step, 1.63701 hours remaining, 208.250000 MB of memory in use. ENERGY: 2969200 743.3731 2160.3045 1949.1114 105.3539 -206260.0421 17792.3311 0.0000 0.0000 34217.6208 -149291.9473 298.8310 -183509.5681 -149194.1631 299.4418 -66.1756 -32.4182 557304.5699 -9.7589 -9.7598 PRESSURE: 2969400 -41.9 1.46025 -106.777 1.46114 -147.641 -149.326 -106.777 -149.327 -336.731 GPRESSURE: 2969400 -38.5554 -34.9093 -138.183 45.1889 -73.9068 -173.483 -129.679 -120.629 -315.13 PRESSAVG: 2969400 -0.027257 27.9481 -39.0163 27.9481 4.71552 -1.52897 -39.0163 -1.52889 -24.7177 GPRESSAVG: 2969400 -0.245926 26.203 -40.7815 27.29 3.97605 -1.84246 -38.0408 -1.40753 -23.929 TIMING: 2969400 CPU: 8605.89, 0.00290701/step Wall: 8605.89, 0.00290701/step, 1.63971 hours remaining, 208.250000 MB of memory in use. ENERGY: 2969400 740.6188 2057.5692 1983.1936 107.7417 -205830.5500 17435.0759 0.0000 0.0000 34430.4367 -149075.9141 300.6896 -183506.3508 -148982.5883 299.7972 -175.4237 -142.5309 558110.2067 -6.6765 -6.7330 PRESSURE: 2969600 297.723 4.25466 113.862 4.25509 506.411 17.0164 113.864 17.016 255.322 GPRESSURE: 2969600 270.822 50.8057 135.297 12.4044 562.946 114.909 -25.9988 -19.4293 317.435 PRESSAVG: 2969600 -45.6991 -3.38165 18.2111 -3.38164 32.7699 -8.70754 18.2111 -8.70755 -32.4277 GPRESSAVG: 2969600 -46.1543 -2.63375 18.0495 -4.69799 32.4275 -8.53167 18.9382 -10.5884 -32.0102 TIMING: 2969600 CPU: 8606.47, 0.00289228/step Wall: 8606.47, 0.00289228/step, 1.63124 hours remaining, 208.250000 MB of memory in use. ENERGY: 2969600 709.2124 2143.3240 1976.5263 111.8384 -206613.3430 18262.8502 0.0000 0.0000 34368.0476 -149041.5440 300.1447 -183409.5917 -148947.9558 300.1040 353.1521 383.7343 556834.2303 -15.1190 -15.2457 PRESSURE: 2969800 -358.4 20.5987 33.5104 20.5997 72.4468 91.9236 33.51 91.9234 -230.875 GPRESSURE: 2969800 -319.063 -87.2461 -41.3119 28.897 126.614 73.6036 -21.3286 98.3166 -207.804 PRESSAVG: 2969800 -1.60537 33.9935 -44.0878 33.9935 89.4467 2.36846 -44.0878 2.36847 -84.645 GPRESSAVG: 2969800 -2.33903 33.4395 -42.8288 34.1773 90.3621 2.08944 -44.6672 5.02276 -85.1023 TIMING: 2969800 CPU: 8607.05, 0.0029143/step Wall: 8607.05, 0.0029143/step, 1.6435 hours remaining, 208.250000 MB of memory in use. ENERGY: 2969800 743.4487 2145.2968 2006.4122 120.5867 -205755.7330 17386.0175 0.0000 0.0000 34424.2552 -148929.7157 300.6356 -183353.9709 -148830.3101 300.2013 -172.2761 -133.4177 557432.3293 1.0654 0.9736 PRESSURE: 2970000 81.6982 142.81 66.1403 142.81 100.722 -143.706 66.1399 -143.706 -65.3762 GPRESSURE: 2970000 60.8012 187.123 91.765 145.082 150.612 -229.004 -44.0915 -112.506 7.93837 PRESSAVG: 2970000 30.0161 50.205 26.526 50.2049 54.1217 -45.2361 26.5259 -45.2361 -73.6188 GPRESSAVG: 2970000 31.0444 51.4671 24.3078 50.9361 52.895 -45.6091 28.0256 -44.6506 -73.3622 TIMING: 2970000 CPU: 8607.63, 0.00288781/step Wall: 8607.63, 0.00288781/step, 1.6284 hours remaining, 208.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2970000 749.7835 2115.1708 1964.0186 114.9588 -206251.6261 17802.8115 0.0000 0.0000 34607.9516 -148896.9312 302.2398 -183504.8828 -148790.1911 300.4668 39.0147 73.1172 556823.2252 3.5063 3.5258 PRESSURE: 2970200 -287.084 144.78 -90.2292 144.781 -187.657 -106.659 -90.23 -106.661 -280.888 GPRESSURE: 2970200 -246.741 190.98 -222.802 105.959 -151.174 -97.656 -12.3226 -36.3547 -262.167 PRESSAVG: 2970200 1.65021 106.926 13.7399 106.926 112.359 -19.5159 13.74 -19.5159 -81.7812 GPRESSAVG: 2970200 1.2164 104.545 17.4996 106.74 112.526 -17.9869 11.4786 -21.9043 -81.7036 TIMING: 2970200 CPU: 8608.21, 0.00289958/step Wall: 8608.21, 0.00289958/step, 1.63488 hours remaining, 208.250000 MB of memory in use. ENERGY: 2970200 764.0803 2095.2541 1971.3268 126.7057 -205611.7593 17315.1839 0.0000 0.0000 34221.2448 -149117.9637 298.8626 -183339.2084 -149026.8664 300.5098 -251.8767 -220.0275 558023.0070 10.7428 10.6796 PRESSURE: 2970400 -34.2739 127.433 69.7567 127.433 78.2588 202.723 69.756 202.723 110.959 GPRESSURE: 2970400 59.8859 124.868 48.4596 168.103 115.692 254.855 29.0293 148.812 80.9292 PRESSAVG: 2970400 -63.2309 47.0122 -57.8562 47.0121 35.4552 -39.8867 -57.8562 -39.8867 9.67982 GPRESSAVG: 2970400 -63.5869 46.8735 -59.3069 47.8873 35.6915 -40.9469 -57.4495 -39.6113 9.83787 TIMING: 2970400 CPU: 8608.79, 0.00287966/step Wall: 8608.79, 0.00287966/step, 1.62349 hours remaining, 208.449219 MB of memory in use. ENERGY: 2970400 807.3930 2065.1551 1988.9524 104.1455 -206326.8386 18041.1547 0.0000 0.0000 34265.9407 -149054.0972 299.2530 -183320.0379 -148962.3866 299.7367 51.6478 85.5023 556802.8105 -6.0320 -6.0192 PRESSURE: 2970600 151.286 -30.4367 51.3218 -30.438 123.804 -54.5451 51.3226 -54.546 96.1324 GPRESSURE: 2970600 102.458 -18.827 -90.4569 -116.478 223.616 -2.92393 122.766 -164.121 127.713 PRESSAVG: 2970600 -16.218 -7.90725 -44.9235 -7.90733 78.5445 6.70096 -44.9235 6.7008 -78.2519 GPRESSAVG: 2970600 -16.8527 -7.09252 -47.031 -9.65458 78.3162 6.27781 -44.4274 7.06362 -78.1058 TIMING: 2970600 CPU: 8609.36, 0.00288643/step Wall: 8609.36, 0.00288643/step, 1.62714 hours remaining, 208.449219 MB of memory in use. ENERGY: 2970600 723.0413 2041.8768 1965.9982 113.1797 -206489.0619 18037.6856 0.0000 0.0000 34376.2591 -149231.0212 300.2164 -183607.2803 -149131.2416 299.4809 123.7407 151.2623 556800.9579 -5.3085 -5.5474 PRESSURE: 2970800 137.833 -41.9076 96.6347 -41.9084 166.175 -39.4773 96.6336 -39.4765 -375.771 GPRESSURE: 2970800 160.518 -7.19237 196.052 0.742964 206.823 -29.6805 104.469 10.7667 -345.217 PRESSAVG: 2970800 -55.9047 1.14598 45.4844 1.14592 22.9927 5.23898 45.4843 5.23895 15.4393 GPRESSAVG: 2970800 -54.7429 2.47109 49.7144 -0.300428 22.6095 5.0833 43.415 5.47601 14.3559 TIMING: 2970800 CPU: 8609.94, 0.00288169/step Wall: 8609.94, 0.00288169/step, 1.62431 hours remaining, 208.449219 MB of memory in use. ENERGY: 2970800 741.2504 2042.6122 1998.4291 115.6908 -206428.3587 17886.4085 0.0000 0.0000 34310.2402 -149333.7275 299.6399 -183643.9677 -149244.1416 299.4077 -23.9210 7.3744 557335.1227 -5.8243 -5.9258 PRESSURE: 2971000 -80.482 -59.7965 -83.8673 -59.7959 -166.399 -111.991 -83.8661 -111.993 23.9335 GPRESSURE: 2971000 -26.5691 -15.9053 -105.842 -42.0753 -170.487 -121.297 -58.1097 -183.933 74.5018 PRESSAVG: 2971000 -0.714477 16.4586 1.40383 16.4586 -11.6544 -15.0296 1.40381 -15.0296 -44.3012 GPRESSAVG: 2971000 -1.17828 18.1358 -0.30939 17.2777 -11.8509 -14.7976 1.62521 -14.4906 -43.6131 TIMING: 2971000 CPU: 8610.52, 0.00291052/step Wall: 8610.52, 0.00291052/step, 1.6404 hours remaining, 208.449219 MB of memory in use. ENERGY: 2971000 788.2305 2095.4631 1966.5812 121.1188 -206214.1380 17747.1851 0.0000 0.0000 34183.9316 -149311.6276 298.5368 -183495.5593 -149217.4490 298.8837 -74.3159 -40.8516 557795.6110 -18.8900 -18.8808 PRESSURE: 2971200 -34.0928 -234.944 -139.452 -234.946 -54.7991 -34.4666 -139.451 -34.4674 45.0765 GPRESSURE: 2971200 -12.3142 -262.175 -139.649 -186.625 -29.1936 -115.797 -103.719 47.3794 89.6641 PRESSAVG: 2971200 16.6861 -0.841821 -1.66035 -0.841837 12.5084 14.1717 -1.66029 14.1717 1.15988 GPRESSAVG: 2971200 16.8269 -3.29535 -2.30217 -0.453966 13.4022 17.3922 0.677207 12.858 -0.02784 TIMING: 2971200 CPU: 8611.11, 0.00291246/step Wall: 8611.11, 0.00291246/step, 1.64133 hours remaining, 208.449219 MB of memory in use. ENERGY: 2971200 751.3330 2016.7698 1961.0836 114.3296 -205965.8594 17733.7616 0.0000 0.0000 34125.6240 -149262.9577 298.0276 -183388.5817 -149165.6331 298.7709 -14.6052 16.0521 558360.0994 10.1181 10.0671 PRESSURE: 2971400 218.788 -101.847 99.6958 -101.847 8.67961 32.2488 99.6954 32.2486 -8.37797 GPRESSURE: 2971400 242.553 -13.1563 44.0057 -82.236 -23.6473 21.5412 35.4623 61.8494 87.9539 PRESSAVG: 2971400 -6.45438 -75.0813 33.4743 -75.0812 -40.2262 13.5586 33.4742 13.5588 23.4491 GPRESSAVG: 2971400 -5.52457 -75.6761 34.8915 -74.152 -41.7212 9.54785 31.2704 13.373 23.914 TIMING: 2971400 CPU: 8611.69, 0.00292493/step Wall: 8611.69, 0.00292493/step, 1.6482 hours remaining, 208.449219 MB of memory in use. ENERGY: 2971400 780.5254 2082.3995 1986.2430 111.1381 -206470.3375 17955.7850 0.0000 0.0000 34313.2857 -149240.9609 299.6665 -183554.2466 -149150.7679 298.9886 73.0298 102.2864 556922.9909 -7.7438 -7.7773 PRESSURE: 2971600 90.2863 -5.94163 -36.6939 -5.94253 -312.568 71.1367 -36.6932 71.1363 -79.4438 GPRESSURE: 2971600 112.308 46.3445 -40.7295 -2.74168 -296.656 -21.322 -126.856 81.1515 -19.8304 PRESSAVG: 2971600 52.9196 -46.5289 -25.4293 -46.5289 -37.2048 -44.2642 -25.4292 -44.2642 11.9407 GPRESSAVG: 2971600 52.3407 -46.414 -26.7356 -46.3149 -37.1279 -42.9659 -24.6677 -42.6106 12.5358 TIMING: 2971600 CPU: 8612.27, 0.00291856/step Wall: 8612.27, 0.00291856/step, 1.64445 hours remaining, 208.449219 MB of memory in use. ENERGY: 2971600 772.8128 2111.0582 1985.7333 99.3695 -206255.6079 17687.8731 0.0000 0.0000 34383.2455 -149215.5153 300.2774 -183598.7609 -149115.2118 299.2489 -100.5751 -68.0595 556336.9950 9.2185 9.2495 PRESSURE: 2971800 64.1145 94.6377 -107.748 94.637 17.5981 -229.048 -107.748 -229.047 150.106 GPRESSURE: 2971800 87.9221 29.8525 -119.877 195.478 61.8816 -221.99 23.5692 -303.032 186.268 PRESSAVG: 2971800 -14.2787 -18.2312 -45.9331 -18.2313 -66.2006 -21.4821 -45.933 -21.4821 46.0178 GPRESSAVG: 2971800 -14.1875 -17.1795 -49.0274 -18.2687 -65.4206 -21.7001 -44.891 -21.9569 45.7903 TIMING: 2971800 CPU: 8612.85, 0.00288787/step Wall: 8612.85, 0.00288787/step, 1.627 hours remaining, 208.449219 MB of memory in use. ENERGY: 2971800 717.5062 2082.3833 1956.9836 118.6430 -206050.9138 17809.7975 0.0000 0.0000 34105.0684 -149260.5318 297.8480 -183365.6002 -149175.9093 299.2304 77.2730 112.0240 556626.0994 -11.4872 -11.2726 PRESSURE: 2972000 -306.353 32.5736 -8.71687 32.5741 -232.776 94.836 -8.71714 94.8337 5.44544 GPRESSURE: 2972000 -220.656 26.1457 18.733 -29.7059 -205.488 94.4075 -92.5651 76.3057 -19.3201 PRESSAVG: 2972000 20.4551 38.5419 -37.4759 38.5418 -14.7184 -0.00806423 -37.4759 -0.00806426 -37.5554 GPRESSAVG: 2972000 19.4541 37.8668 -32.6782 38.3531 -13.4448 1.03482 -39.2819 1.08586 -37.4086 TIMING: 2972000 CPU: 8613.43, 0.00289563/step Wall: 8613.43, 0.00289563/step, 1.63121 hours remaining, 208.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2972000 764.0164 2111.6585 1968.9286 112.2437 -206003.4052 17599.3683 0.0000 0.0000 34257.6270 -149189.5626 299.1804 -183447.1896 -149089.8659 298.7810 -177.8943 -148.4883 556526.8749 -10.6062 -10.4664 PRESSURE: 2972200 -120.136 -58.1968 -114.063 -58.1964 -147.501 51.8997 -114.061 51.8992 -44.7206 GPRESSURE: 2972200 -140.106 95.0337 -174.67 -65.6473 -140.431 92.048 -103.848 68.9385 47.2641 PRESSAVG: 2972200 -38.9517 0.853011 -42.7226 0.852982 19.3426 -23.791 -42.7226 -23.791 -12.0345 GPRESSAVG: 2972200 -37.593 1.79385 -43.8008 0.652674 18.5844 -23.2929 -41.202 -25.4294 -12.6369 TIMING: 2972200 CPU: 8614.01, 0.00290282/step Wall: 8614.01, 0.00290282/step, 1.63509 hours remaining, 208.449219 MB of memory in use. ENERGY: 2972200 730.6583 2079.7624 2000.7810 118.5128 -205884.2393 17527.9235 0.0000 0.0000 34242.9326 -149183.6686 299.0520 -183426.6012 -149087.9422 298.9647 -104.1193 -77.7574 555895.5320 -10.5479 -10.5485 LDB: ============= START OF LOAD BALANCING ============== 8617.4 LDB: ============== END OF LOAD BALANCING =============== 8617.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8617.4 LDB: ============= START OF LOAD BALANCING ============== 8617.69 LDB: Largest compute 4800 load 0.026287 is 22.3% of average load 0.117960 LDB: Average compute 0.001759 is 1.5% of average load 0.117960 LDB: TIME 8617.69 LOAD: AVG 0.11796 MAX 0.175582 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 8617.69 LOAD: AVG 0.11796 MAX 0.175582 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 8617.69 LOAD: AVG 0.11796 MAX 0.175582 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8617.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8617.69 PRESSURE: 2972400 103.608 -53.9321 -85.7859 -53.9316 -81.2147 2.31107 -85.7843 2.31185 92.2153 GPRESSURE: 2972400 145.781 80.8637 -124.038 -103.699 -46.2386 22.8289 -31.5438 -21.0561 127.858 PRESSAVG: 2972400 61.7546 27.7689 -82.2444 27.769 -1.51161 9.76998 -82.2445 9.76992 -18.8924 GPRESSAVG: 2972400 60.7516 26.9875 -84.7027 28.304 -1.00537 7.31294 -80.8882 12.7241 -18.7508 TIMING: 2972400 CPU: 8614.6, 0.00293733/step Wall: 8614.6, 0.00293733/step, 1.65437 hours remaining, 210.492188 MB of memory in use. ENERGY: 2972400 747.7457 2103.8001 1995.0697 112.5917 -206219.3750 17828.1333 0.0000 0.0000 34022.7316 -149409.3028 297.1290 -183432.0344 -149309.0716 298.8572 38.2027 75.8002 555434.5978 13.7835 13.6652 PRESSURE: 2972600 -100.707 -46.1509 21.1617 -46.1513 -127.596 -123.421 21.1613 -123.42 -225.865 GPRESSURE: 2972600 -166.65 -96.8308 -22.2013 -65.978 -21.4164 -132.538 1.13354 -114.8 -165.057 PRESSAVG: 2972600 43.397 0.268835 -17.4598 0.268839 26.1311 -63.1093 -17.4597 -63.1094 -50.498 GPRESSAVG: 2972600 42.1961 0.049954 -15.6263 0.0257295 26.6045 -60.9888 -17.9056 -65.3546 -50.068 TIMING: 2972600 CPU: 8615.18, 0.00290099/step Wall: 8615.18, 0.00290099/step, 1.63374 hours remaining, 210.562500 MB of memory in use. ENERGY: 2972600 736.3783 2136.9755 1981.8247 107.1448 -206244.0017 17663.2899 0.0000 0.0000 34234.0286 -149384.3599 298.9743 -183618.3885 -149287.6954 298.4631 -151.3891 -117.7079 558071.6784 6.3434 6.2442 PRESSURE: 2972800 -144.852 -43.4872 -81.0407 -43.487 64.373 58.2248 -81.0412 58.2244 8.52313 GPRESSURE: 2972800 -143.491 -77.1118 -66.7726 41.8106 94.9292 56.7771 -105.753 107.299 81.0998 PRESSAVG: 2972800 16.7083 87.7542 -27.6913 87.7543 -4.58096 -33.171 -27.6913 -33.1709 19.2621 GPRESSAVG: 2972800 17.9141 88.7673 -28.4314 87.0891 -5.59529 -34.2233 -28.2813 -30.1741 18.8613 TIMING: 2972800 CPU: 8615.76, 0.00289188/step Wall: 8615.76, 0.00289188/step, 1.62845 hours remaining, 210.562500 MB of memory in use. ENERGY: 2972800 718.7998 2079.1879 1954.1475 115.4092 -206476.1864 17917.0044 0.0000 0.0000 34207.7501 -149483.8876 298.7448 -183691.6377 -149389.9700 298.3973 -23.9854 10.8459 557943.1418 10.4631 10.3934 PRESSURE: 2973000 2.41848 98.1514 -109.097 98.151 182.414 90.9523 -109.097 90.9534 349.78 GPRESSURE: 2973000 68.9297 154.487 -143.995 88.6061 228.095 185.3 -63.3929 94.2034 334.345 PRESSAVG: 2973000 -66.0808 -29.2519 40.779 -29.2519 -22.628 7.17218 40.779 7.1723 56.1019 GPRESSAVG: 2973000 -65.0938 -29.9577 41.7438 -28.2715 -24.2738 8.21732 40.8327 4.29489 56.4669 TIMING: 2973000 CPU: 8616.34, 0.00289911/step Wall: 8616.34, 0.00289911/step, 1.63236 hours remaining, 210.691406 MB of memory in use. ENERGY: 2973000 717.6523 2103.5571 1982.7664 102.5111 -206879.1985 18316.5165 0.0000 0.0000 34032.7399 -149623.4553 297.2164 -183656.1952 -149528.7430 298.4086 178.2044 210.4565 557506.4767 -10.8690 -10.9669 PRESSURE: 2973200 111.508 -213.503 -58.2345 -213.505 218.647 -69.1333 -58.2342 -69.1317 75.806 GPRESSURE: 2973200 162.687 -218.631 -47.3116 -201.791 252.691 14.6472 -119.906 -80.0015 95.3634 PRESSAVG: 2973200 48.7398 -71.1042 -7.91077 -71.1043 13.5834 -6.29174 -7.91079 -6.29167 -4.97384 GPRESSAVG: 2973200 47.3595 -70.7289 -7.76808 -71.6306 14.613 -8.95989 -7.79786 -5.10839 -4.59937 TIMING: 2973200 CPU: 8616.91, 0.00287729/step Wall: 8616.91, 0.00287729/step, 1.61991 hours remaining, 210.691406 MB of memory in use. ENERGY: 2973200 731.0815 2099.3566 1966.9167 108.2786 -206579.4237 18022.8137 0.0000 0.0000 34086.9906 -149563.9860 297.6902 -183650.9766 -149467.8368 298.2470 135.3203 170.2472 556900.9166 19.1165 19.1244 PRESSURE: 2973400 134.552 -63.0693 -31.3647 -63.0697 -6.61256 -4.79516 -31.3634 -4.79454 -21.2206 GPRESSURE: 2973400 162.976 -56.4364 -106.192 -48.344 2.91223 48.5606 -20.748 -53.5875 30.0534 PRESSAVG: 2973400 109.581 15.2423 2.7152 15.2424 -39.0338 -54.8802 2.71523 -54.8803 -29.3297 GPRESSAVG: 2973400 111.141 15.7521 0.311531 14.7952 -39.0295 -54.0327 1.7445 -55.5263 -30.0036 TIMING: 2973400 CPU: 8617.49, 0.00289923/step Wall: 8617.49, 0.00289923/step, 1.63211 hours remaining, 210.761719 MB of memory in use. ENERGY: 2973400 727.5490 2092.5074 1982.6765 102.8758 -206773.4787 17979.1499 0.0000 0.0000 34249.9492 -149638.7709 299.1133 -183888.7201 -149535.4659 298.4103 35.5730 65.3138 557215.4345 13.7391 14.0359 PRESSURE: 2973600 74.3454 210.327 5.03561 210.326 99.4154 -25.2266 5.03631 -25.2262 75.809 GPRESSURE: 2973600 152.575 159.734 120.26 198.853 85.4913 -16.7855 54.9578 29.3389 83.5051 PRESSAVG: 2973600 18.7609 3.24602 -27.231 3.24606 -21.5486 -16.0932 -27.2311 -16.0932 -28.6288 GPRESSAVG: 2973600 17.9236 1.97922 -25.7628 3.48585 -22.0817 -15.5527 -26.3062 -15.9698 -27.3824 TIMING: 2973600 CPU: 8618.07, 0.00288718/step Wall: 8618.07, 0.00288718/step, 1.62516 hours remaining, 210.761719 MB of memory in use. ENERGY: 2973600 752.7228 2151.5909 1945.9441 109.8456 -206863.8011 17991.8370 0.0000 0.0000 34207.0309 -149704.8298 298.7385 -183911.8607 -149611.1656 298.0192 83.1899 107.1904 556515.9335 -10.4722 -10.5135 PRESSURE: 2973800 83.3225 -11.4406 126.349 -11.4406 -247.397 -54.0297 126.349 -54.0293 103.896 GPRESSURE: 2973800 119.25 12.6053 118.547 38.7291 -207.613 -22.2669 156.169 -65.5769 115.345 PRESSAVG: 2973800 43.7705 18.8938 29.9201 18.8938 -91.4508 -35.7359 29.9202 -35.7358 39.6897 GPRESSAVG: 2973800 43.011 18.6202 30.7075 19.9106 -89.6857 -35.5433 30.0663 -36.8996 39.0179 TIMING: 2973800 CPU: 8618.64, 0.00285997/step Wall: 8618.64, 0.00285997/step, 1.60969 hours remaining, 210.761719 MB of memory in use. ENERGY: 2973800 745.1350 2045.1949 1949.6282 106.0148 -206309.4740 17801.7575 0.0000 0.0000 34038.7366 -149623.0071 297.2688 -183661.7437 -149522.2288 296.9848 -20.0594 8.9940 558084.5342 -2.6635 -2.5523 PRESSURE: 2974000 144.089 -6.93038 137.305 -6.93008 77.2317 -45.6624 137.305 -45.6626 61.7271 GPRESSURE: 2974000 184.19 18.2355 91.9726 -23.6969 108.881 -91.7642 59.7875 -94.1782 100.011 PRESSAVG: 2974000 37.7546 23.4054 -6.88633 23.4055 -33.6509 -7.0743 -6.88631 -7.07428 -13.9366 GPRESSAVG: 2974000 39.2596 22.4615 -9.39362 23.0119 -34.4564 -7.72335 -4.99607 -6.20423 -14.8831 TIMING: 2974000 CPU: 8619.22, 0.00287827/step Wall: 8619.22, 0.00287827/step, 1.61982 hours remaining, 210.761719 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: 2974000 717.7669 2080.6715 1981.6533 129.0125 -206543.2661 18001.8385 0.0000 0.0000 33914.1784 -149718.1449 296.1810 -183632.3234 -149612.5395 297.7943 94.3494 131.0274 556438.6960 -3.2776 -3.3600 PRESSURE: 2974200 -134.766 -55.6411 19.9448 -55.641 81.7566 -144.122 19.9445 -144.122 155.28 GPRESSURE: 2974200 -25.4923 -24.7089 61.4996 -101.458 29.7614 -95.9903 22.7208 -175.537 194.95 PRESSAVG: 2974200 0.106438 -27.1618 -42.5766 -27.1619 -39.5711 -7.96082 -42.5766 -7.96083 48.4473 GPRESSAVG: 2974200 0.667726 -23.0661 -40.8463 -30.073 -41.6668 -7.40777 -44.0737 -8.76654 50.0312 TIMING: 2974200 CPU: 8619.79, 0.00287182/step Wall: 8619.79, 0.00287182/step, 1.61604 hours remaining, 210.761719 MB of memory in use. ENERGY: 2974200 772.0409 2083.6308 1967.2900 123.7413 -206294.6898 17839.0864 0.0000 0.0000 34100.0156 -149408.8847 297.8039 -183508.9003 -149315.0221 298.7821 34.0902 66.4065 557953.1860 2.9942 3.0107 PRESSURE: 2974400 -117.446 -204.947 75.286 -204.948 -8.562 25.389 75.2859 25.3883 49.1249 GPRESSURE: 2974400 -35.5242 -257.69 25.2906 -210.361 -47.6495 42.4596 69.758 47.5989 108.75 PRESSAVG: 2974400 43.8738 -34.6035 -17.1089 -34.6035 39.5006 -20.945 -17.1089 -20.9449 -50.9867 GPRESSAVG: 2974400 43.4239 -37.2192 -16.538 -32.6021 40.7677 -21.3089 -16.8034 -20.3471 -52.0602 TIMING: 2974400 CPU: 8620.36, 0.00286428/step Wall: 8620.36, 0.00286428/step, 1.61164 hours remaining, 210.761719 MB of memory in use. ENERGY: 2974400 776.9850 2075.8084 1974.7225 113.0005 -206901.2261 18112.1627 0.0000 0.0000 34501.4309 -149347.1160 301.3096 -183848.5469 -149250.9878 299.1716 -25.6276 8.5254 557517.5069 10.7959 10.7105 PRESSURE: 2974600 53.0936 -131.085 -61.0877 -131.085 -145.52 63.5429 -61.0891 63.5438 99.4812 GPRESSURE: 2974600 75.8974 -191.823 -77.9841 -56.3595 -123.656 22.6885 -84.0799 117.401 159.374 PRESSAVG: 2974600 -42.5084 66.4771 13.5256 66.477 21.9592 -28.4228 13.5257 -28.4227 33.7606 GPRESSAVG: 2974600 -42.7817 66.7217 11.897 63.6972 21.4566 -28.5773 12.987 -28.3305 34.2721 TIMING: 2974600 CPU: 8620.94, 0.00287818/step Wall: 8620.94, 0.00287818/step, 1.6193 hours remaining, 210.761719 MB of memory in use. ENERGY: 2974600 768.4751 2049.7392 1959.0337 111.7535 -206644.5098 18084.0631 0.0000 0.0000 34153.4878 -149517.9573 298.2709 -183671.4452 -149423.6187 298.9414 2.3518 37.2049 557790.1933 4.4038 4.3157 PRESSURE: 2974800 18.4795 64.8917 -49.3704 64.891 -209.99 28.4195 -49.3696 28.4176 93.6893 GPRESSURE: 2974800 79.375 166.33 -94.5951 25.0379 -171.795 -1.1487 -51.018 94.7999 102.75 PRESSAVG: 2974800 -9.31009 4.02079 -82.6682 4.02077 -42.4182 27.6797 -82.6683 27.6796 37.5227 GPRESSAVG: 2974800 -9.89174 3.54174 -80.8261 8.08303 -40.9229 26.5742 -84.0319 28.1093 36.8828 TIMING: 2974800 CPU: 8621.52, 0.00287869/step Wall: 8621.52, 0.00287869/step, 1.61943 hours remaining, 210.761719 MB of memory in use. ENERGY: 2974800 751.5746 2062.5783 1967.3817 112.8510 -206493.8078 17942.7493 0.0000 0.0000 33960.5209 -149696.1519 296.5857 -183656.6728 -149604.0829 297.8616 -32.6069 3.4432 557170.7756 -4.7352 -4.6439 PRESSURE: 2975000 44.1319 25.5935 -44.7166 25.5948 -30.8214 -4.48122 -44.717 -4.47979 132.314 GPRESSURE: 2975000 73.5695 66.5577 -52.2821 44.0077 20.7553 -70.4799 -12.3921 102.224 148.663 PRESSAVG: 2975000 -14.5274 -8.97643 -29.1305 -8.97638 0.747392 28.298 -29.1306 28.298 -2.12541 GPRESSAVG: 2975000 -14.6865 -6.98606 -29.6656 -11.358 -0.193239 28.4304 -28.3232 27.1426 -0.661348 TIMING: 2975000 CPU: 8622.09, 0.00286266/step Wall: 8622.09, 0.00286266/step, 1.61025 hours remaining, 210.761719 MB of memory in use. ENERGY: 2975000 728.0311 2060.8155 1975.8620 103.9863 -206829.2184 18051.4286 0.0000 0.0000 34247.1264 -149661.9686 299.0887 -183909.0949 -149564.7683 298.0202 48.5416 80.9961 557628.9491 -5.3018 -5.1804 PRESSURE: 2975200 -7.28076 69.6897 145.678 69.6906 308.104 98.2593 145.679 98.2605 -162.503 GPRESSURE: 2975200 9.95863 82.8644 119.421 48.8352 353.777 220.232 147.353 43.5623 -129.638 PRESSAVG: 2975200 37.9938 -20.5157 12.1054 -20.5157 -31.7599 14.9013 12.1054 14.9013 31.6309 GPRESSAVG: 2975200 38.9363 -19.9329 11.3746 -22.44 -31.173 16.3505 12.8638 15.7806 29.9699 TIMING: 2975200 CPU: 8622.67, 0.002885/step Wall: 8622.67, 0.002885/step, 1.62265 hours remaining, 210.761719 MB of memory in use. ENERGY: 2975200 743.4603 2083.3718 1975.9168 109.6142 -206517.9244 17899.7003 0.0000 0.0000 34181.1278 -149524.7332 298.5123 -183705.8611 -149425.6113 298.3806 46.1069 78.0326 556747.6269 12.6216 12.5777 PRESSURE: 2975400 -19.8151 17.8817 102.204 17.8818 188.349 239.137 102.204 239.138 209.458 GPRESSURE: 2975400 93.732 -22.4167 12.1698 57.1178 109.541 244.723 186.834 278.546 285.29 PRESSAVG: 2975400 6.27313 -13.3668 29.0579 -13.3668 -30.1824 61.5072 29.0579 61.5072 28.61 GPRESSAVG: 2975400 6.54816 -14.1941 30.5257 -11.4977 -30.9105 60.7674 29.3087 61.6133 29.5056 TIMING: 2975400 CPU: 8623.24, 0.00289487/step Wall: 8623.24, 0.00289487/step, 1.62804 hours remaining, 210.761719 MB of memory in use. ENERGY: 2975400 746.3431 2073.6471 1967.4126 117.3526 -206589.8909 18008.4485 0.0000 0.0000 34116.5312 -149560.1557 297.9482 -183676.6869 -149465.4866 297.9543 125.9971 162.8542 555628.2913 1.5669 1.7144 PRESSURE: 2975600 -218.77 -98.9225 -8.17297 -98.9221 -177.56 293.014 -8.17415 293.012 -137.694 GPRESSURE: 2975600 -124.744 -163.295 -19.4312 -46.4677 -187.692 199.631 40.1644 220.981 -128.267 PRESSAVG: 2975600 8.63721 31.1536 -2.19692 31.1537 -66.6215 40.6487 -2.19694 40.6487 30.9105 GPRESSAVG: 2975600 8.16656 30.4462 -3.88451 31.8198 -67.1469 38.8836 -2.66776 42.1699 32.0448 TIMING: 2975600 CPU: 8623.82, 0.00289991/step Wall: 8623.82, 0.00289991/step, 1.63072 hours remaining, 210.761719 MB of memory in use. ENERGY: 2975600 714.9270 2138.0115 1973.7769 113.4734 -206189.7998 17554.0947 0.0000 0.0000 34246.8406 -149448.6756 299.0862 -183695.5162 -149352.4090 297.7932 -178.0080 -146.9011 558072.4860 -9.0246 -8.9785 PRESSURE: 2975800 -173.228 29.9029 -28.8997 29.9026 -198.231 2.14097 -28.8999 2.14152 182.048 GPRESSURE: 2975800 -111.747 78.2317 -0.749337 37.7196 -180.175 71.7614 21.3063 -125.786 210.528 PRESSAVG: 2975800 12.5161 31.1543 -5.56511 31.1544 -36.4844 61.9057 -5.56511 61.9057 6.00456 GPRESSAVG: 2975800 13.7585 32.1898 -5.96494 29.8693 -35.8198 64.4456 -3.9287 60.1713 4.61035 TIMING: 2975800 CPU: 8624.4, 0.00289313/step Wall: 8624.4, 0.00289313/step, 1.62674 hours remaining, 210.761719 MB of memory in use. ENERGY: 2975800 729.6712 2082.5919 1969.2720 109.6724 -206201.0989 17718.7685 0.0000 0.0000 34267.4672 -149323.6556 299.2663 -183591.1228 -149217.1428 299.2464 -63.1370 -27.1315 556890.4884 -5.9879 -5.8170 PRESSURE: 2976000 -29.6712 73.865 173.667 73.8654 65.5773 -42.8919 173.668 -42.8916 133.319 GPRESSURE: 2976000 33.2758 70.6168 135.05 165.292 100.255 -104.227 143.496 19.2828 128.818 PRESSAVG: 2976000 -27.4835 33.907 24.91 33.907 -27.2009 39.2605 24.9101 39.2605 90.0341 GPRESSAVG: 2976000 -28.3033 34.4853 23.2453 35.3438 -26.5623 39.2677 25.1276 39.0727 90.2959 TIMING: 2976000 CPU: 8624.98, 0.00290027/step Wall: 8624.98, 0.00290027/step, 1.63059 hours remaining, 210.761719 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: 2976000 714.7813 2084.6177 1962.5062 116.3504 -206416.8835 17916.6187 0.0000 0.0000 34471.8448 -149150.1644 301.0512 -183622.0092 -149053.9330 299.1983 56.4084 87.4497 557301.8459 11.7832 11.8101 PRESSURE: 2976200 -66.2878 1.73367 -153.441 1.73364 73.9623 -188.719 -153.44 -188.719 -168.147 GPRESSURE: 2976200 -55.7265 -1.8944 -115.264 -71.5299 109.429 -201.048 -206.634 -137.251 -92.3204 PRESSAVG: 2976200 -23.2053 34.0641 42.1259 34.0642 8.82971 -7.26904 42.1259 -7.26911 4.56239 GPRESSAVG: 2976200 -23.9705 35.1979 43.8121 34.4336 9.23198 -7.48366 40.7558 -6.91574 5.00911 TIMING: 2976200 CPU: 8625.56, 0.00290346/step Wall: 8625.56, 0.00290346/step, 1.63223 hours remaining, 210.761719 MB of memory in use. ENERGY: 2976200 751.0728 2068.2144 1973.4833 105.8263 -205960.4558 17629.7141 0.0000 0.0000 34189.7366 -149242.4083 298.5875 -183432.1449 -149149.5138 299.4833 -53.4908 -12.8725 557402.6962 -3.2711 -3.2431 LDB: ============= START OF LOAD BALANCING ============== 8628.95 LDB: ============== END OF LOAD BALANCING =============== 8628.95 LDB: =============== DONE WITH MIGRATION ================ 8628.95 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 8629.24 LDB: Largest compute 4801 load 0.026097 is 22.1% of average load 0.117970 LDB: Average compute 0.001751 is 1.5% of average load 0.117970 LDB: TIME 8629.24 LOAD: AVG 0.11797 MAX 0.179466 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.238 MB LDB: TIME 8629.24 LOAD: AVG 0.11797 MAX 0.179466 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: TIME 8629.24 LOAD: AVG 0.11797 MAX 0.179466 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8629.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8629.25 PRESSURE: 2976400 75.7384 119.808 154.938 119.807 -182.504 -159.415 154.938 -159.415 253.125 GPRESSURE: 2976400 118.749 82.6591 93.9768 103.26 -155.693 -146.475 138.784 -159.26 287.993 PRESSAVG: 2976400 26.9797 19.9819 -35.0308 19.9818 -42.574 -39.3034 -35.0308 -39.3035 34.9576 GPRESSAVG: 2976400 26.9389 18.0147 -34.6608 19.2842 -42.4208 -38.118 -37.201 -40.2983 34.9728 TIMING: 2976400 CPU: 8626.15, 0.0029527/step Wall: 8626.15, 0.0029527/step, 1.65974 hours remaining, 209.265625 MB of memory in use. ENERGY: 2976400 745.3839 2039.4494 1964.1890 118.0135 -205957.3960 17735.1246 0.0000 0.0000 34083.4743 -149271.7613 297.6595 -183355.2357 -149177.4642 299.2860 48.7865 83.6831 558113.0190 6.4544 6.4970 PRESSURE: 2976600 9.29386 144.182 118.752 144.183 -18.4108 -100.538 118.752 -100.538 -230.905 GPRESSURE: 2976600 91.9063 96.1235 140.558 184.977 -26.4228 -104.269 58.4445 -12.8444 -213.36 PRESSAVG: 2976600 27.0156 -29.7329 32.6166 -29.7329 9.20683 10.8165 32.6166 10.8165 -41.7625 GPRESSAVG: 2976600 27.4682 -30.2369 33.4269 -28.0611 8.40481 8.76281 33.213 13.6737 -41.838 TIMING: 2976600 CPU: 8626.73, 0.00289085/step Wall: 8626.73, 0.00289085/step, 1.62482 hours remaining, 209.335938 MB of memory in use. ENERGY: 2976600 762.6082 2082.5441 1960.5166 109.4001 -206452.0621 17755.7551 0.0000 0.0000 34406.9051 -149374.3328 300.4841 -183781.2380 -149275.1704 299.3199 -80.0073 -49.2921 556341.7474 -1.8467 -1.9884 PRESSURE: 2976800 -56.1375 -9.94925 -62.0977 -9.94938 -188.728 -85.5968 -62.0959 -85.5973 419.184 GPRESSURE: 2976800 -67.181 -56.4954 -84.4343 66.7377 -108.89 57.3103 13.4931 -164.434 450.843 PRESSAVG: 2976800 -13.4066 54.6164 -19.1455 54.6163 -12.618 2.96858 -19.1456 2.96858 22.8477 GPRESSAVG: 2976800 -12.8871 56.3248 -19.5742 53.3916 -12.4012 4.71435 -18.9652 1.35362 22.9461 TIMING: 2976800 CPU: 8627.31, 0.00290443/step Wall: 8627.31, 0.00290443/step, 1.63229 hours remaining, 209.335938 MB of memory in use. ENERGY: 2976800 739.6156 2059.6046 1944.1578 108.0636 -206599.6777 18036.1316 0.0000 0.0000 34308.8313 -149403.2732 299.6276 -183712.1045 -149308.4273 298.9258 58.1063 91.5905 557034.6703 -1.0590 -0.7807 PRESSURE: 2977000 -210.716 -39.3622 59.3477 -39.3627 -0.0339779 23.9327 59.3475 23.9317 -95.2169 GPRESSURE: 2977000 -179.425 -38.3476 -69.7917 -5.4232 63.066 36.8108 122.807 90.8529 -103.348 PRESSAVG: 2977000 -33.8072 -43.665 7.80002 -43.665 -45.3875 -1.83278 7.79992 -1.83269 65.6029 GPRESSAVG: 2977000 -33.0539 -44.4881 6.5773 -43.0044 -44.9629 -1.72149 10.1323 -2.56111 64.3038 TIMING: 2977000 CPU: 8627.89, 0.00289664/step Wall: 8627.89, 0.00289664/step, 1.62775 hours remaining, 209.335938 MB of memory in use. ENERGY: 2977000 760.0708 2093.6513 1942.2624 118.2575 -206212.4733 17741.7641 0.0000 0.0000 34188.1018 -149368.3654 298.5732 -183556.4672 -149271.3021 298.5726 -101.9888 -73.2358 558115.5990 -4.5306 -4.5710 PRESSURE: 2977200 151.158 -60.7818 -57.4245 -60.7811 -45.6757 -14.8506 -57.4261 -14.8506 -90.6692 GPRESSURE: 2977200 141.404 -76.1849 -35.4862 -117.985 8.04626 -127.992 -22.7082 -13.0273 -32.6174 PRESSAVG: 2977200 -48.3161 -22.6889 4.48667 -22.6889 -25.1194 -19.0166 4.48662 -19.0165 41.7821 GPRESSAVG: 2977200 -48.1563 -22.4407 7.6098 -22.5812 -25.7041 -20.4897 1.08539 -18.7699 42.7091 TIMING: 2977200 CPU: 8628.47, 0.00288588/step Wall: 8628.47, 0.00288588/step, 1.62154 hours remaining, 209.335938 MB of memory in use. ENERGY: 2977200 733.0222 2074.2854 1947.4547 106.7443 -206322.3663 17910.6768 0.0000 0.0000 34017.5816 -149532.6012 297.0840 -183550.1828 -149437.5945 298.2333 4.9378 38.9444 558293.3283 -10.5512 -10.3838 PRESSURE: 2977400 -161.19 64.6944 -77.6585 64.6936 -151.994 -80.831 -77.6595 -80.8307 46.3012 GPRESSURE: 2977400 -98.6524 179.127 -33.3325 -50.6713 -108.014 -138.026 -60.4561 -41.5784 21.3565 PRESSAVG: 2977400 -19.7476 50.4765 -78.0862 50.4765 26.4605 -7.45781 -78.0862 -7.45772 1.07297 GPRESSAVG: 2977400 -20.5016 50.0727 -77.0119 50.0755 26.8263 -8.44582 -78.0002 -6.52766 0.823618 TIMING: 2977400 CPU: 8629.05, 0.00288071/step Wall: 8629.05, 0.00288071/step, 1.61848 hours remaining, 209.335938 MB of memory in use. ENERGY: 2977400 746.2701 2049.0877 1992.2413 96.6734 -206484.7027 17808.2575 0.0000 0.0000 34171.2584 -149620.9142 298.4261 -183792.1726 -149528.4199 297.8805 -88.9610 -61.7699 556858.3707 2.5953 2.3828 PRESSURE: 2977600 -120.39 55.2128 59.3461 55.2131 -1.28557 -86.6052 59.3457 -86.6049 -287.71 GPRESSURE: 2977600 -109.483 -25.0538 -20.3161 109.083 25.9613 -82.0604 133.186 -97.0005 -219.234 PRESSAVG: 2977600 -21.8021 21.1511 -0.00283171 21.1511 56.1057 -44.9194 -0.00285058 -44.9193 -38.3535 GPRESSAVG: 2977600 -21.4233 22.078 -1.83455 19.4183 54.5998 -43.9034 1.60293 -45.8972 -36.7332 TIMING: 2977600 CPU: 8629.63, 0.00289615/step Wall: 8629.63, 0.00289615/step, 1.62699 hours remaining, 209.335938 MB of memory in use. ENERGY: 2977600 716.0256 2134.3952 1957.7156 108.4988 -206103.1388 17668.0859 0.0000 0.0000 34076.3947 -149442.0229 297.5976 -183518.4176 -149349.3881 298.4003 -136.4620 -100.9184 558996.0034 -1.3500 -1.1855 PRESSURE: 2977800 159.13 106.318 -8.97385 106.317 108.259 53.4412 -8.97546 53.4424 197.869 GPRESSURE: 2977800 186.891 215.236 36.4261 63.9056 119.191 -10.48 -18.2949 17.6776 254.865 PRESSAVG: 2977800 -53.6915 -20.6167 0.335502 -20.6168 12.2587 28.7758 0.335552 28.7759 -15.4706 GPRESSAVG: 2977800 -54.5544 -22.7346 -0.562599 -18.3636 12.3355 29.0712 0.00503324 28.0137 -15.1147 TIMING: 2977800 CPU: 8630.2, 0.00289618/step Wall: 8630.2, 0.00289618/step, 1.62685 hours remaining, 209.335938 MB of memory in use. ENERGY: 2977800 707.9816 2129.4752 1966.0324 112.9714 -206591.7484 18087.0965 0.0000 0.0000 34183.6011 -149404.5902 298.5339 -183588.1913 -149303.9855 298.7851 155.0858 186.9825 557690.3889 -18.9678 -19.1112 PRESSURE: 2978000 123.059 101.812 -40.8852 101.812 297.618 232.023 -40.8857 232.022 -122.976 GPRESSURE: 2978000 122.159 -0.815367 -15.3015 100.985 267.627 217.017 -118.284 266.706 11.5378 PRESSAVG: 2978000 -45.7028 37.7808 19.7645 37.7809 48.1419 -19.2872 19.7645 -19.2872 12.8426 GPRESSAVG: 2978000 -45.0728 39.7701 20.5899 35.95 48.0654 -18.5528 20.2104 -18.5067 12.1059 TIMING: 2978000 CPU: 8630.78, 0.00288806/step Wall: 8630.78, 0.00288806/step, 1.62213 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2978000 725.1124 2022.2782 1972.4755 103.7896 -206554.8402 18101.2017 0.0000 0.0000 34179.3144 -149450.6683 298.4965 -183629.9828 -149351.4571 298.4363 99.2335 133.7747 558208.2614 5.0939 5.0328 PRESSURE: 2978200 -75.6387 237.749 116.548 237.749 -240.232 -27.6407 116.548 -27.6414 -207.487 GPRESSURE: 2978200 24.6163 260.801 38.2485 176.989 -227.155 -53.4645 166.335 -21.9937 -227.539 PRESSAVG: 2978200 31.4959 22.0834 33.1831 22.0835 40.4419 3.84522 33.1831 3.84527 -30.0335 GPRESSAVG: 2978200 31.6026 21.8153 32.1405 23.099 41.0102 3.59697 33.3705 0.058776 -30.7933 TIMING: 2978200 CPU: 8631.36, 0.00291166/step Wall: 8631.36, 0.00291166/step, 1.63522 hours remaining, 209.335938 MB of memory in use. ENERGY: 2978200 730.6395 2110.4694 1970.3632 117.2021 -205877.2331 17461.7146 0.0000 0.0000 34085.3871 -149401.4571 297.6762 -183486.8442 -149312.2936 298.3864 -174.4528 -143.3591 558577.1983 13.9681 13.9399 PRESSURE: 2978400 32.3523 74.7986 -55.5641 74.7997 -85.2158 203.039 -55.5635 203.039 -109.017 GPRESSURE: 2978400 28.7561 83.0006 -108.909 -29.0887 -32.3195 151.238 -20.9175 209.082 -74.0657 PRESSAVG: 2978400 -66.7253 25.5182 16.3641 25.5182 15.8444 26.5205 16.3642 26.5204 18.2784 GPRESSAVG: 2978400 -67.6282 25.9935 16.5675 24.2879 15.7291 26.5013 15.2414 29.7117 19.6318 TIMING: 2978400 CPU: 8631.95, 0.00292072/step Wall: 8631.95, 0.00292072/step, 1.64015 hours remaining, 209.335938 MB of memory in use. ENERGY: 2978400 753.2153 2105.4225 1980.2034 120.7255 -206556.6624 17947.0427 0.0000 0.0000 34211.9761 -149438.0769 298.7817 -183650.0530 -149343.2071 298.5994 -53.9602 -25.8764 558929.1882 -10.8675 -10.7558 PRESSURE: 2978600 7.59099 -118.933 -58.9165 -118.932 -80.481 -26.5114 -58.9173 -26.5101 -285.513 GPRESSURE: 2978600 71.3027 -239.103 -37.1043 -63.4188 -39.92 -90.1039 -134.946 14.1218 -288.377 PRESSAVG: 2978600 36.2777 -17.1826 8.82681 -17.1825 18.8433 5.93853 8.82679 5.93844 -29.0531 GPRESSAVG: 2978600 36.6121 -17.01 9.64493 -15.2407 18.53 7.2632 7.82844 5.16816 -29.8036 TIMING: 2978600 CPU: 8632.54, 0.00293452/step Wall: 8632.54, 0.00293452/step, 1.64773 hours remaining, 209.335938 MB of memory in use. ENERGY: 2978600 734.0090 2095.2337 1973.1822 122.4072 -206229.0008 17835.9466 0.0000 0.0000 34161.3850 -149306.8371 298.3399 -183468.2221 -149206.4540 298.6323 -119.4675 -85.6649 559115.4475 8.6893 8.4462 PRESSURE: 2978800 -83.4728 20.7605 -212.157 20.7604 -190.376 -119.973 -212.157 -119.974 -415.886 GPRESSURE: 2978800 -94.9446 3.92196 -119.017 77.7788 -127.408 -136.288 -241.082 -182.001 -379.548 PRESSAVG: 2978800 48.7014 -43.1312 -77.0742 -43.1313 16.4625 6.19035 -77.0743 6.19035 -56.9759 GPRESSAVG: 2978800 48.3206 -42.9117 -77.3101 -42.7878 14.935 4.20523 -75.1675 5.52164 -55.4486 TIMING: 2978800 CPU: 8633.12, 0.00292171/step Wall: 8633.12, 0.00292171/step, 1.64038 hours remaining, 209.335938 MB of memory in use. ENERGY: 2978800 727.0518 2053.6241 1991.4225 118.6200 -206027.2814 17609.2555 0.0000 0.0000 34133.5474 -149393.7601 298.0968 -183527.3075 -149295.9850 298.7076 -229.9116 -200.6336 559027.3039 2.7293 2.6023 PRESSURE: 2979000 -258.748 -214.144 -64.8697 -214.145 37.0766 5.4192 -64.8704 5.41976 -130.403 GPRESSURE: 2979000 -228.249 -187.219 -32.2089 -187.97 77.7801 -8.5569 -45.4987 10.5008 -106.389 PRESSAVG: 2979000 -68.2194 -72.072 -26.5201 -72.072 54.9153 -21.9389 -26.5202 -21.9388 -3.05061 GPRESSAVG: 2979000 -67.0324 -70.8439 -26.2628 -73.3896 55.3888 -21.6671 -27.8185 -19.9385 -4.54354 TIMING: 2979000 CPU: 8633.7, 0.00291431/step Wall: 8633.7, 0.00291431/step, 1.63606 hours remaining, 209.335938 MB of memory in use. ENERGY: 2979000 712.4386 2107.1227 1994.9503 106.3679 -206172.0204 17666.5458 0.0000 0.0000 34259.3779 -149325.2173 299.1957 -183584.5952 -149233.4995 298.4666 -117.3581 -85.6190 558473.3075 -5.4516 -5.3957 PRESSURE: 2979200 174.327 112.501 -130.542 112.501 -30.9382 -18.5715 -130.542 -18.5725 -171.018 GPRESSURE: 2979200 222.644 170.759 -126.942 62.4907 -25.0871 44.1861 -77.7804 10.6606 -135.726 PRESSAVG: 2979200 -54.1653 -30.2527 -38.4885 -30.2527 50.6358 19.0964 -38.4885 19.0964 -10.3893 GPRESSAVG: 2979200 -54.3949 -30.1687 -38.2018 -32.3917 50.004 19.281 -37.4029 18.6893 -9.22697 TIMING: 2979200 CPU: 8634.28, 0.00290093/step Wall: 8634.28, 0.00290093/step, 1.62839 hours remaining, 209.335938 MB of memory in use. ENERGY: 2979200 724.1101 2096.0222 1966.2383 121.6884 -206307.3541 17806.3823 0.0000 0.0000 34156.5112 -149436.4017 298.2973 -183592.9129 -149343.6214 298.7214 -9.2099 20.6102 557079.7110 -4.6396 -4.5393 PRESSURE: 2979400 87.683 92.9534 -82.5558 92.954 111.615 -57.7481 -82.5569 -57.7498 -3.45961 GPRESSURE: 2979400 138.462 91.123 -108.243 84.4848 136.973 -84.5947 -51.3664 -67.0046 7.35538 PRESSAVG: 2979400 -3.10547 36.6742 1.61337 36.6741 24.1441 25.4189 1.61339 25.4188 -18.3722 GPRESSAVG: 2979400 -2.99557 35.1139 1.89178 38.0777 24.8026 25.5463 0.466298 25.3753 -19.3926 TIMING: 2979400 CPU: 8634.86, 0.00288717/step Wall: 8634.86, 0.00288717/step, 1.62051 hours remaining, 209.335938 MB of memory in use. ENERGY: 2979400 758.8231 2089.5385 1966.0339 117.6895 -206191.9937 17961.0631 0.0000 0.0000 34018.4662 -149280.3793 297.0917 -183298.8455 -149180.7948 299.1008 65.2795 94.2638 558480.8650 0.8888 0.8048 PRESSURE: 2979600 -127.106 -102.269 -137.861 -102.27 99.9381 -186.848 -137.861 -186.847 76.3515 GPRESSURE: 2979600 -124.72 -57.4114 -191.208 -32.4726 122.735 -229.999 -56.0297 -130.289 159.208 PRESSAVG: 2979600 -17.7252 10.3238 -49.7732 10.3237 3.75517 -60.7544 -49.7732 -60.7543 12.6013 GPRESSAVG: 2979600 -18.5621 11.8623 -49.7804 11.2461 4.35346 -58.9744 -49.1281 -62.3302 11.8256 TIMING: 2979600 CPU: 8635.44, 0.00287278/step Wall: 8635.44, 0.00287278/step, 1.61227 hours remaining, 209.335938 MB of memory in use. ENERGY: 2979600 758.4161 2066.6153 2005.1419 113.7659 -206240.7729 17955.4604 0.0000 0.0000 34006.3817 -149334.9916 296.9862 -183341.3733 -149236.7257 299.5910 16.3945 52.4078 556721.0708 -0.4563 -0.7943 PRESSURE: 2979800 -158.443 47.3346 -52.6973 47.3341 -55.1987 -189.856 -52.6974 -189.856 -2.17088 GPRESSURE: 2979800 -94.6939 -14.763 -28.2905 40.6622 -41.5071 -270.635 -130.152 -80.4509 28.6059 PRESSAVG: 2979800 -18.0564 46.6132 -15.35 46.6131 4.72095 -26.9174 -15.3499 -26.9174 6.63277 GPRESSAVG: 2979800 -18.0822 44.7474 -15.6798 47.6037 4.79972 -28.6918 -16.5318 -25.2554 6.52339 TIMING: 2979800 CPU: 8636.01, 0.00289357/step Wall: 8636.01, 0.00289357/step, 1.62377 hours remaining, 209.335938 MB of memory in use. ENERGY: 2979800 761.2933 2016.0931 1996.0026 118.9197 -205946.6121 17566.1177 0.0000 0.0000 34236.2797 -149251.9060 298.9939 -183488.1858 -149154.3415 299.7422 -71.9374 -35.8650 556941.3119 -2.2342 -2.2530 PRESSURE: 2980000 -73.5808 -57.1362 152.656 -57.1357 -92.7857 67.4378 152.657 67.4376 77.4974 GPRESSURE: 2980000 -18.9316 -87.4046 171.554 -23.8633 -18.8071 41.5375 160.828 2.24374 42.9212 PRESSAVG: 2980000 -38.0576 -6.02193 -28.9925 -6.02189 4.12637 -5.69538 -28.9925 -5.69532 4.5323 GPRESSAVG: 2980000 -37.8049 -1.87894 -29.5148 -8.99128 2.8319 -5.71997 -27.7493 -7.5708 5.03381 TIMING: 2980000 CPU: 8636.59, 0.00289323/step Wall: 8636.59, 0.00289323/step, 1.62342 hours remaining, 209.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2980000 730.1457 2097.1149 1990.3817 105.1748 -206433.9189 17961.9124 0.0000 0.0000 34237.9303 -149311.2591 299.0084 -183549.1895 -149212.4200 299.2499 -29.6230 1.7275 557102.3135 -9.7997 -9.9797 PRESSURE: 2980200 -117.289 89.1653 -117.256 89.1661 -261.455 14.3065 -117.255 14.3052 -238.371 GPRESSURE: 2980200 -100.922 3.92973 -43.7343 175.9 -265.49 -29.2758 -75.7873 13.9942 -145.14 PRESSAVG: 2980200 -71.4188 25.7089 -2.31985 25.709 -15.4875 -9.03905 -2.31976 -9.03911 100.846 GPRESSAVG: 2980200 -72.2779 21.5141 -3.70408 28.267 -15.321 -9.04727 -1.4587 -9.4194 101.403 TIMING: 2980200 CPU: 8637.17, 0.00288423/step Wall: 8637.17, 0.00288423/step, 1.61821 hours remaining, 209.335938 MB of memory in use. ENERGY: 2980200 731.4905 2074.6570 1991.7820 109.6567 -205603.1938 17357.1934 0.0000 0.0000 34233.7824 -149104.6318 298.9721 -183338.4141 -149004.9001 299.4784 -205.7048 -170.5173 557935.8565 4.6467 4.6015 LDB: ============= START OF LOAD BALANCING ============== 8640.56 LDB: ============== END OF LOAD BALANCING =============== 8640.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8640.56 LDB: ============= START OF LOAD BALANCING ============== 8640.85 LDB: Largest compute 4800 load 0.026579 is 22.5% of average load 0.117932 LDB: Average compute 0.001753 is 1.5% of average load 0.117932 LDB: TIME 8640.85 LOAD: AVG 0.117932 MAX 0.177909 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.805 MB LDB: TIME 8640.85 LOAD: AVG 0.117932 MAX 0.177909 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.012 MB LDB: TIME 8640.85 LOAD: AVG 0.117932 MAX 0.177909 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8640.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8640.86 PRESSURE: 2980400 -227.099 75.9034 200.536 75.9038 -2.76407 -168.996 200.536 -168.996 -94.0232 GPRESSURE: 2980400 -142.384 134.142 108.34 141.423 -8.49108 -152.99 194.134 -176.955 -88.6672 PRESSAVG: 2980400 41.4403 4.25482 12.0431 4.25476 -24.3589 -72.7101 12.0431 -72.7103 41.0837 GPRESSAVG: 2980400 40.2733 4.47967 13.7121 2.70936 -23.9445 -72.1465 10.388 -70.9086 41.5662 TIMING: 2980400 CPU: 8637.76, 0.00296966/step Wall: 8637.76, 0.00296966/step, 1.66598 hours remaining, 209.320312 MB of memory in use. ENERGY: 2980400 750.1035 2012.3357 1968.7023 125.4176 -205890.3825 17684.5607 0.0000 0.0000 34313.0782 -149036.1844 299.6646 -183349.2626 -148938.0117 299.5512 -107.9622 -79.8473 558896.6803 19.3884 19.2983 PRESSURE: 2980600 -188.52 -155.64 165.595 -155.639 -193.788 26.9636 165.595 26.9625 103.513 GPRESSURE: 2980600 -142.865 -100.984 154.656 -138.947 -174.88 34.7913 188.965 -29.4491 132.761 PRESSAVG: 2980600 -26.8504 62.5832 49.2633 62.5833 -33.9214 -34.8518 49.2633 -34.8517 57.2873 GPRESSAVG: 2980600 -25.3036 63.5556 46.7175 63.9072 -34.9138 -36.1722 50.7905 -33.9275 56.9822 TIMING: 2980600 CPU: 8638.34, 0.00289872/step Wall: 8638.34, 0.00289872/step, 1.62602 hours remaining, 209.777344 MB of memory in use. ENERGY: 2980600 761.6586 2093.4126 1974.4288 120.9856 -206049.4957 17773.9752 0.0000 0.0000 34312.3803 -149012.6547 299.6586 -183325.0350 -148925.1523 300.2588 -92.9319 -61.6612 559330.3533 -1.1615 -1.0784 PRESSURE: 2980800 -295.979 53.3717 -4.9246 53.3719 7.69012 -36.3945 -4.92347 -36.3919 -18.0876 GPRESSURE: 2980800 -292.783 125.861 -55.61 -15.529 59.4426 -38.1608 19.274 -14.1173 26.2679 PRESSAVG: 2980800 -43.5783 -23.8587 38.6352 -23.8586 -15.7695 -21.383 38.6352 -21.3829 -13.6097 GPRESSAVG: 2980800 -45.0824 -23.6313 39.7045 -24.0053 -14.4885 -21.1941 37.9084 -23.6653 -13.1141 TIMING: 2980800 CPU: 8638.92, 0.00290166/step Wall: 8638.92, 0.00290166/step, 1.62751 hours remaining, 209.777344 MB of memory in use. ENERGY: 2980800 727.5092 2071.9072 1977.3277 113.8367 -205910.7864 17638.8877 0.0000 0.0000 34306.1587 -149075.1593 299.6042 -183381.3180 -148977.2612 300.2768 -102.1256 -69.0241 558767.1103 -24.3192 -24.2283 PRESSURE: 2981000 18.5684 12.6863 22.0248 12.6868 169.311 -135.375 22.0255 -135.373 347.474 GPRESSURE: 2981000 84.5711 -66.117 -20.8374 -5.82177 229.576 -104.801 26.5833 -124.948 319.236 PRESSAVG: 2981000 11.7549 6.70035 15.2305 6.70035 15.9206 44.3147 15.2304 44.3148 4.60091 GPRESSAVG: 2981000 12.488 5.41636 15.9751 8.1151 16.1263 44.6077 12.9906 44.9567 4.10311 TIMING: 2981000 CPU: 8639.5, 0.0028942/step Wall: 8639.5, 0.0028942/step, 1.62316 hours remaining, 209.777344 MB of memory in use. ENERGY: 2981000 710.4706 2059.0988 1966.7341 119.2509 -206455.8667 18126.8742 0.0000 0.0000 34278.8163 -149194.6218 299.3654 -183473.4381 -149103.0306 298.9303 178.4511 211.1278 557437.0286 10.7588 10.9058 PRESSURE: 2981200 -19.0364 -44.6366 36.847 -44.6381 47.1306 111.738 36.846 111.737 -128.282 GPRESSURE: 2981200 -18.575 -139.169 -24.538 98.51 99.7567 104.621 40.5116 126.491 -84.1124 PRESSAVG: 2981200 -44.916 10.4899 22.0438 10.4898 -29.6897 -3.78628 22.0438 -3.78639 77.889 GPRESSAVG: 2981200 -45.7063 13.3107 20.458 8.43117 -29.4273 -2.9063 24.2142 -5.46416 78.3888 TIMING: 2981200 CPU: 8640.08, 0.00290414/step Wall: 8640.08, 0.00290414/step, 1.62858 hours remaining, 209.777344 MB of memory in use. ENERGY: 2981200 731.5555 2112.7517 1993.8580 105.8227 -206439.7198 17869.9949 0.0000 0.0000 34376.4001 -149249.3368 300.2177 -183625.7369 -149152.5045 299.1303 -33.3958 -0.9769 558007.9993 1.0944 1.0851 PRESSURE: 2981400 -32.3779 45.1436 -29.1549 45.1449 -73.178 -158.792 -29.1554 -158.791 26.1845 GPRESSURE: 2981400 24.8454 107.213 -66.5395 9.22014 -39.1063 -182.925 62.9966 -52.9882 29.0893 PRESSAVG: 2981400 -11.5933 79.0334 68.9848 79.0334 29.9159 -21.0468 68.9849 -21.0467 -3.95908 GPRESSAVG: 2981400 -9.74344 77.9646 69.9491 78.7936 28.603 -24.0862 67.7303 -18.1 -4.23156 TIMING: 2981400 CPU: 8640.67, 0.00291839/step Wall: 8640.67, 0.00291839/step, 1.63641 hours remaining, 209.777344 MB of memory in use. ENERGY: 2981400 767.9442 2062.1886 1964.8075 114.3312 -206269.6905 17843.0974 0.0000 0.0000 34383.6059 -149133.7158 300.2806 -183517.3216 -149030.9845 299.3272 -26.4571 4.9428 557593.7515 4.7878 4.8760 PRESSURE: 2981600 100.071 53.4908 23.3134 53.491 160.625 -49.539 23.3135 -49.5393 -243.27 GPRESSURE: 2981600 129.784 66.4693 108.997 -4.63508 174.389 -64.2809 32.1813 -68.7457 -189.521 PRESSAVG: 2981600 32.882 -5.89815 9.00141 -5.89819 -58.0456 31.992 9.00141 31.9921 -7.53359 GPRESSAVG: 2981600 32.2958 -6.33353 7.4065 -3.91877 -56.763 34.4906 8.77247 28.5271 -8.80338 TIMING: 2981600 CPU: 8641.25, 0.00289819/step Wall: 8641.25, 0.00289819/step, 1.62492 hours remaining, 209.777344 MB of memory in use. ENERGY: 2981600 716.6099 2139.0591 1975.0189 107.8399 -205957.1916 17740.2204 0.0000 0.0000 34182.5383 -149095.9052 298.5246 -183278.4434 -148998.0075 299.7011 5.8088 38.2175 559161.5684 -10.8991 -11.0902 PRESSURE: 2981800 -223.96 88.3506 40.7936 88.3505 -72.8144 -161.896 40.7931 -161.897 -100.555 GPRESSURE: 2981800 -131.067 81.7528 4.53793 132.667 -68.7047 -178.147 7.25549 -147.206 -84.8783 PRESSAVG: 2981800 15.0873 -0.788692 34.4533 -0.788666 -0.993295 -16.4019 34.4533 -16.4019 -15.8916 GPRESSAVG: 2981800 13.7706 0.774457 38.2694 -1.81989 -0.159205 -16.6547 33.5428 -14.4697 -15.5018 TIMING: 2981800 CPU: 8641.82, 0.0028795/step Wall: 8641.82, 0.0028795/step, 1.61428 hours remaining, 209.777344 MB of memory in use. ENERGY: 2981800 799.4142 2110.5937 1972.7042 133.5849 -205865.4641 17640.1004 0.0000 0.0000 34280.1148 -148928.9520 299.3768 -183209.0667 -148833.4996 299.5384 -132.4432 -94.8834 558974.0885 -0.5992 -0.6301 PRESSURE: 2982000 133.12 -230.316 149.714 -230.316 250.183 126.395 149.714 126.393 38.5096 GPRESSURE: 2982000 172.507 -81.5732 37.4043 -297.454 285.761 -12.0695 143.174 184.188 66.5839 PRESSAVG: 2982000 20.311 -38.8119 -11.2912 -38.812 91.1411 50.6828 -11.2913 50.6827 -44.588 GPRESSAVG: 2982000 20.898 -41.7385 -12.9818 -38.5013 90.6253 52.2324 -9.40989 50.0423 -44.5187 TIMING: 2982000 CPU: 8642.4, 0.00287292/step Wall: 8642.4, 0.00287293/step, 1.61043 hours remaining, 209.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2982000 756.4904 2121.1702 1986.7093 110.3856 -206046.5619 17961.7215 0.0000 0.0000 34490.8735 -148619.2114 301.2174 -183110.0848 -148519.5360 299.5513 140.6041 174.9508 558655.8560 22.2880 22.3349 PRESSURE: 2982200 120.912 -193.268 -111.943 -193.269 267.727 -132.825 -111.943 -132.826 -213.793 GPRESSURE: 2982200 118.403 -189.008 -139.265 -88.864 317.908 -189.308 -66.0707 -150.644 -162.777 PRESSAVG: 2982200 30.4433 -49.636 30.5092 -49.636 61.1738 -35.3514 30.5092 -35.3513 -84.4721 GPRESSAVG: 2982200 30.5185 -48.3656 29.97 -48.2405 61.6583 -35.1495 31.1541 -35.8306 -84.5534 TIMING: 2982200 CPU: 8642.97, 0.00287218/step Wall: 8642.97, 0.00287218/step, 1.60986 hours remaining, 210.031250 MB of memory in use. ENERGY: 2982200 720.5019 2143.0451 1970.8015 114.1305 -205770.3842 17831.1976 0.0000 0.0000 34294.7450 -148695.9625 299.5045 -182990.7075 -148608.3413 300.2270 58.2819 91.1779 558298.2569 2.3817 2.5411 PRESSURE: 2982400 18.8735 -79.7909 126.143 -79.7912 -82.6019 6.27664 126.142 6.27813 224.381 GPRESSURE: 2982400 137.556 -34.0422 96.1837 -145.872 -54.273 -115.399 108.531 52.0813 172.56 PRESSAVG: 2982400 -45.8285 -50.8481 6.38959 -50.8481 22.1727 -44.2583 6.38958 -44.2583 26.3853 GPRESSAVG: 2982400 -43.982 -51.4049 5.21316 -51.4963 21.2376 -46.3949 6.60344 -41.3359 25.6435 TIMING: 2982400 CPU: 8643.55, 0.00288572/step Wall: 8643.55, 0.00288572/step, 1.61729 hours remaining, 210.031250 MB of memory in use. ENERGY: 2982400 757.1210 2089.6481 1986.9782 120.0791 -206089.6393 17871.2269 0.0000 0.0000 34610.5725 -148654.0135 302.2627 -183264.5861 -148557.8865 300.5358 53.5507 85.2809 557119.7251 0.9098 0.9664 PRESSURE: 2982600 -133.493 16.136 -143.955 16.1367 4.58023 -213.348 -143.955 -213.349 -15.1796 GPRESSURE: 2982600 -77.9966 56.5843 -225.64 15.0395 9.87129 -168.645 -127.407 -128.572 25.1075 PRESSAVG: 2982600 -32.9846 7.38 30.7356 7.38013 -8.45422 -72.3704 30.7357 -72.3704 21.4059 GPRESSAVG: 2982600 -33.1849 8.29923 31.8717 6.78319 -8.88233 -70.6818 30.0616 -74.9136 22.2869 TIMING: 2982600 CPU: 8644.12, 0.00288115/step Wall: 8644.12, 0.00288115/step, 1.61456 hours remaining, 210.031250 MB of memory in use. ENERGY: 2982600 715.6901 2031.3406 1977.2883 108.4092 -205400.8306 17490.0060 0.0000 0.0000 34427.5632 -148650.5332 300.6645 -183078.0964 -148552.3922 300.8368 -48.0308 -14.3393 557646.4147 -6.6776 -6.5934 PRESSURE: 2982800 52.9784 -61.1053 54.5127 -61.1062 -298.812 -31.289 54.5119 -31.2889 -209.432 GPRESSURE: 2982800 46.7919 48.2019 86.882 -166.949 -296.67 -29.0866 123.377 -60.9859 -102.468 PRESSAVG: 2982800 -0.991997 -14.7174 46.1027 -14.7175 -10.216 -18.4838 46.1026 -18.4838 -34.988 GPRESSAVG: 2982800 -0.793945 -14.3444 47.3235 -15.0729 -10.031 -18.5377 46.556 -19.2724 -35.2103 TIMING: 2982800 CPU: 8644.7, 0.00289707/step Wall: 8644.7, 0.00289707/step, 1.62332 hours remaining, 210.031250 MB of memory in use. ENERGY: 2982800 761.1824 2107.2259 1986.0077 118.2856 -205433.2473 17601.5917 0.0000 0.0000 34241.9341 -148617.0199 299.0433 -182858.9540 -148524.2507 300.7831 -151.7555 -117.4487 558143.2949 -15.3987 -15.3451 PRESSURE: 2983000 77.7666 -0.00245416 10.2006 -0.00158974 11.6166 -65.023 10.2007 -65.0231 96.8462 GPRESSURE: 2983000 96.6847 -5.06794 -24.1326 32.8626 70.8531 25.4742 33.418 -43.7019 133.451 PRESSAVG: 2983000 -5.73873 -6.26819 -1.61944 -6.2682 12.2024 59.1425 -1.6194 59.1424 21.8256 GPRESSAVG: 2983000 -6.07589 -6.73243 -0.809344 -7.32939 12.7316 58.248 -2.45847 59.373 22.2597 TIMING: 2983000 CPU: 8645.29, 0.00290623/step Wall: 8645.29, 0.00290623/step, 1.6283 hours remaining, 210.031250 MB of memory in use. ENERGY: 2983000 757.2990 2080.0657 1941.3575 116.7011 -205427.9219 17777.4706 0.0000 0.0000 34342.4962 -148412.5317 299.9216 -182755.0279 -148308.7686 300.9024 62.0765 100.3295 557768.9560 9.4297 9.6385 PRESSURE: 2983200 -217.348 -93.2645 128.948 -93.2645 121.399 130.507 128.949 130.507 14.9473 GPRESSURE: 2983200 -130.752 -148.718 59.5854 -20.9404 127.071 154.084 93.1359 163.265 27.0652 PRESSAVG: 2983200 5.35414 -34.0063 26.1338 -34.0063 8.60246 46.159 26.1338 46.159 1.11713 GPRESSAVG: 2983200 6.22539 -35.1517 24.7193 -33.8394 8.11279 46.4578 26.4239 46.5099 0.476893 TIMING: 2983200 CPU: 8645.86, 0.00288787/step Wall: 8645.86, 0.00288787/step, 1.61785 hours remaining, 210.031250 MB of memory in use. ENERGY: 2983200 774.5547 2135.7853 1940.9787 106.9403 -205695.4933 17795.9769 0.0000 0.0000 34536.3912 -148404.8661 301.6149 -182941.2574 -148312.2553 301.8964 -27.0006 7.7945 556665.5861 5.0246 4.9384 PRESSURE: 2983400 -17.8519 17.6091 -153.023 17.6098 -86.0729 18.8127 -153.022 18.8127 -99.9281 GPRESSURE: 2983400 -10.0006 21.7717 -180.591 28.2624 -18.2749 24.5462 -151.654 2.80934 -87.3483 PRESSAVG: 2983400 26.332 10.6312 -29.9959 10.6313 12.3952 17.3905 -29.9959 17.3905 -57.2447 GPRESSAVG: 2983400 25.1812 11.53 -31.9133 11.0469 13.4833 16.8701 -30.2908 17.8971 -57.5294 TIMING: 2983400 CPU: 8646.44, 0.00288706/step Wall: 8646.44, 0.00288706/step, 1.61723 hours remaining, 210.046875 MB of memory in use. ENERGY: 2983400 743.5756 2163.1431 1928.4096 107.6009 -205830.3088 17652.9529 0.0000 0.0000 34610.6561 -148623.9705 302.2635 -183234.6266 -148522.8390 301.9404 -67.9510 -38.5413 556696.8430 -6.1725 -6.2883 PRESSURE: 2983600 -8.44204 99.0122 136.899 99.0135 172.288 -81.6037 136.899 -81.6037 86.7448 GPRESSURE: 2983600 40.7775 31.1922 102.815 165.452 212.728 -7.88138 146.203 -92.7425 97.7638 PRESSAVG: 2983600 4.65395 -18.7144 -8.75853 -18.7143 24.183 -70.4501 -8.75847 -70.4501 -18.0829 GPRESSAVG: 2983600 5.03984 -18.4018 -7.74866 -18.8801 24.0398 -70.0481 -8.68654 -69.3542 -18.0091 TIMING: 2983600 CPU: 8647.02, 0.00288056/step Wall: 8647.02, 0.00288056/step, 1.61343 hours remaining, 210.046875 MB of memory in use. ENERGY: 2983600 751.7019 2055.6449 1948.2961 121.5903 -205890.8079 17752.1924 0.0000 0.0000 34514.0530 -148747.3293 301.4198 -183261.3823 -148652.0554 301.4012 83.5303 117.0898 556377.0245 3.5847 3.6902 PRESSURE: 2983800 -237.186 -221.963 -2.39232 -221.962 -86.9669 150.491 -2.39162 150.488 -25.1731 GPRESSURE: 2983800 -233.254 -185.732 38.2901 -188.979 -38.7593 125.246 28.6735 97.3734 20.5945 PRESSAVG: 2983800 -88.7085 2.01387 -21.4133 2.014 21.3412 -39.8231 -21.4133 -39.8232 83.2679 GPRESSAVG: 2983800 -88.8809 1.77755 -21.6546 1.40272 20.1977 -39.8065 -20.7343 -39.3389 84.2867 TIMING: 2983800 CPU: 8647.59, 0.00288623/step Wall: 8647.59, 0.00288623/step, 1.61645 hours remaining, 210.046875 MB of memory in use. ENERGY: 2983800 736.9220 2045.5356 1961.0449 108.9024 -205686.4131 17435.1477 0.0000 0.0000 34573.3922 -148825.4684 301.9380 -183398.8606 -148729.3002 301.0772 -116.4421 -83.8061 558363.7460 5.3002 5.2012 PRESSURE: 2984000 73.775 -109.113 -112.365 -109.112 288.77 223.639 -112.365 223.64 -182.502 GPRESSURE: 2984000 120.241 -111.899 -148.072 -114.253 237.086 157.206 -71.5045 210.59 -91.3296 PRESSAVG: 2984000 -62.6023 -55.9094 -14.8804 -55.9095 16.0051 1.92689 -14.8803 1.92696 14.4671 GPRESSAVG: 2984000 -61.6988 -57.7391 -14.1494 -53.9786 16.2118 1.28817 -14.3877 -0.357946 13.6695 TIMING: 2984000 CPU: 8648.17, 0.00290586/step Wall: 8648.17, 0.00290586/step, 1.62728 hours remaining, 210.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2984000 749.1638 2105.4650 1937.5959 118.8132 -205987.4465 17779.6507 0.0000 0.0000 34421.0246 -148875.7333 300.6074 -183296.7579 -148783.4070 300.0129 60.0142 88.6658 557375.4208 -10.7101 -10.6059 PRESSURE: 2984200 -207.366 97.9861 52.4043 97.9858 -121.664 71.643 52.405 71.6411 -158.991 GPRESSURE: 2984200 -167.683 84.8604 112.188 40.1774 -52.3745 22.8857 5.97865 78.0894 -174.926 PRESSAVG: 2984200 -1.83363 -7.79058 -76.3768 -7.79049 -44.5549 34.5956 -76.3768 34.5956 63.8377 GPRESSAVG: 2984200 -2.19478 -7.77512 -76.5398 -7.07034 -45.2301 35.025 -76.9354 33.1218 64.6933 TIMING: 2984200 CPU: 8648.75, 0.0028848/step Wall: 8648.75, 0.0028848/step, 1.61533 hours remaining, 210.046875 MB of memory in use. ENERGY: 2984200 771.6829 2080.3263 1947.9851 109.2504 -205308.3465 17515.8961 0.0000 0.0000 34267.8230 -148615.3827 299.2694 -182883.2057 -148517.3811 300.4384 -162.6735 -131.6613 559159.2913 5.8164 5.7561 LDB: ============= START OF LOAD BALANCING ============== 8652.14 LDB: ============== END OF LOAD BALANCING =============== 8652.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8652.14 LDB: ============= START OF LOAD BALANCING ============== 8652.43 LDB: Largest compute 4800 load 0.026329 is 22.3% of average load 0.117875 LDB: Average compute 0.001755 is 1.5% of average load 0.117875 LDB: TIME 8652.43 LOAD: AVG 0.117875 MAX 0.179856 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.297 MB LDB: TIME 8652.43 LOAD: AVG 0.117875 MAX 0.179856 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 8652.43 LOAD: AVG 0.117875 MAX 0.179856 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 8652.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8652.43 PRESSURE: 2984400 -128.849 -9.9063 -11.1915 -9.90795 -174.852 100.239 -11.1891 100.239 -388.144 GPRESSURE: 2984400 -144.524 76.4846 38.5326 -40.7244 -146.727 151.316 10.3625 57.6778 -305.704 PRESSAVG: 2984400 -14.4003 -7.08542 -28.647 -7.08542 86.8355 79.7737 -28.6471 79.7736 -82.3523 GPRESSAVG: 2984400 -15.2049 -3.62851 -28.484 -9.35946 89.6373 78.7296 -29.4838 81.5129 -83.6435 TIMING: 2984400 CPU: 8649.34, 0.00293479/step Wall: 8649.34, 0.00293479/step, 1.64316 hours remaining, 208.867188 MB of memory in use. ENERGY: 2984400 781.2031 2023.4234 1972.1693 111.4811 -205126.0710 17236.9763 0.0000 0.0000 34273.4267 -148727.3911 299.3184 -183000.8178 -148628.3547 299.9937 -230.6149 -198.9850 558987.0390 -3.3057 -3.0704 PRESSURE: 2984600 -37.576 189.998 -146.434 189.997 209.649 -37.1693 -146.435 -37.1692 -171.944 GPRESSURE: 2984600 87.0992 248.959 -93.733 184.171 213.923 -24.9616 -162.918 -30.1514 -201.294 PRESSAVG: 2984600 -85.7322 18.0035 23.9857 18.0034 87.9161 74.9193 23.9855 74.9193 -21.8823 GPRESSAVG: 2984600 -84.4692 15.1898 21.7019 20.322 86.6143 74.461 24.8667 75.937 -21.4168 TIMING: 2984600 CPU: 8649.92, 0.00289392/step Wall: 8649.92, 0.00289392/step, 1.62011 hours remaining, 208.867188 MB of memory in use. ENERGY: 2984600 732.8397 2181.0658 1946.3705 106.5296 -205588.9215 17601.6273 0.0000 0.0000 34378.0131 -148642.4755 300.2317 -183020.4886 -148546.4034 300.1120 0.0428 33.2426 557413.5634 -6.5661 -6.4239 PRESSURE: 2984800 114.869 119.214 60.4333 119.214 310.466 -100.652 60.4337 -100.652 210.17 GPRESSURE: 2984800 164.375 176.8 58.6567 23.7774 333.516 -101.135 15.7268 -78.9313 236.103 PRESSAVG: 2984800 30.4087 43.9068 -54.9697 43.9068 12.5068 31.5495 -54.9696 31.5495 -10.215 GPRESSAVG: 2984800 30.5586 43.0469 -53.512 42.3147 12.4706 32.6771 -55.448 32.781 -10.562 TIMING: 2984800 CPU: 8650.5, 0.00290375/step Wall: 8650.5, 0.00290375/step, 1.62545 hours remaining, 208.867188 MB of memory in use. ENERGY: 2984800 694.9278 2144.8637 1944.3549 108.0010 -205907.0309 17966.3856 0.0000 0.0000 34387.2693 -148661.2287 300.3126 -183048.4979 -148560.9051 301.1911 211.8349 244.6646 556860.7232 10.9002 10.8224 PRESSURE: 2985000 -55.4782 -78.8304 102.299 -78.8301 -45.3589 103.229 102.299 103.23 -65.6734 GPRESSURE: 2985000 -41.7818 63.0858 61.1718 -108.006 23.6661 61.1216 125.924 102.414 -48.8594 PRESSAVG: 2985000 -10.5311 -28.1255 2.08531 -28.1255 -7.91403 54.0511 2.08526 54.051 39.3873 GPRESSAVG: 2985000 -11.6833 -26.0423 1.96057 -26.8237 -8.37485 53.8359 2.46979 51.6852 40.4656 TIMING: 2985000 CPU: 8651.08, 0.00288636/step Wall: 8651.08, 0.00288636/step, 1.61556 hours remaining, 208.867188 MB of memory in use. ENERGY: 2985000 724.9754 2131.7165 1965.7983 118.2252 -205726.2465 17618.4662 0.0000 0.0000 34356.0635 -148811.0016 300.0400 -183167.0651 -148714.1380 300.6213 -55.5035 -22.3250 558388.3008 6.9807 6.8025 PRESSURE: 2985200 -202.217 40.8 72.998 40.7996 5.48817 -94.4515 72.9976 -94.4511 -29.9379 GPRESSURE: 2985200 -216.597 16.617 8.50011 102.677 46.8502 -145.824 82.753 -65.9328 43.5028 PRESSAVG: 2985200 -68.2426 -13.6494 7.99496 -13.6494 12.8932 -44.2731 7.99499 -44.2732 37.1353 GPRESSAVG: 2985200 -67.4167 -15.1463 6.19933 -14.2573 13.4704 -44.2526 8.02386 -44.1758 36.4086 TIMING: 2985200 CPU: 8651.65, 0.00289086/step Wall: 8651.65, 0.00289086/step, 1.61792 hours remaining, 208.867188 MB of memory in use. ENERGY: 2985200 732.2809 2071.3952 1957.1947 110.7415 -205548.4345 17524.3764 0.0000 0.0000 34235.1435 -148917.3022 298.9840 -183152.4456 -148820.8396 300.4213 -75.5557 -42.0814 558492.3203 -6.0714 -5.8459 PRESSURE: 2985400 82.5318 -43.6661 108.628 -43.6674 -158.705 -8.73635 108.628 -8.73807 -163.182 GPRESSURE: 2985400 104.154 -104.928 140.422 -71.1093 -84.4099 13.3535 112.245 20.8975 -143.314 PRESSAVG: 2985400 -16.9652 12.5194 55.6845 12.5194 -17.5065 -3.94199 55.6845 -3.9421 13.8293 GPRESSAVG: 2985400 -17.5538 10.602 58.2151 13.659 -16.6703 -3.26057 52.7917 -3.25048 13.4594 TIMING: 2985400 CPU: 8652.23, 0.0028962/step Wall: 8652.23, 0.0028962/step, 1.62075 hours remaining, 208.867188 MB of memory in use. ENERGY: 2985400 712.6175 2145.5124 1987.4361 125.2830 -205761.4632 17666.3069 0.0000 0.0000 34459.6350 -148664.6722 300.9446 -183124.3072 -148565.1910 300.0766 -79.7851 -41.1900 558294.2279 -6.8808 -6.9216 PRESSURE: 2985600 -137.349 -19.5929 -20.6374 -19.5927 -150.775 -109.407 -20.6361 -109.406 -235.697 GPRESSURE: 2985600 -159.718 -24.536 -9.73503 -14.175 -111.261 -143.968 -44.9448 -112.522 -146.4 PRESSAVG: 2985600 15.6828 25.2637 33.101 25.2637 -52.1686 44.7681 33.101 44.7681 49.3323 GPRESSAVG: 2985600 16.3704 26.6639 32.8436 24.2099 -54.0536 44.2578 34.5714 44.5621 49.9978 TIMING: 2985600 CPU: 8652.81, 0.00287903/step Wall: 8652.81, 0.00287903/step, 1.61098 hours remaining, 208.867188 MB of memory in use. ENERGY: 2985600 780.3824 2137.9880 1974.6749 110.0411 -205896.0771 17655.1469 0.0000 0.0000 34493.5351 -148744.3087 301.2406 -183237.8438 -148657.0784 299.8717 -174.6069 -139.1264 558158.6327 4.2822 4.1049 PRESSURE: 2985800 -126.466 109.136 36.1338 109.135 -172.227 118.243 36.1333 118.242 -187.83 GPRESSURE: 2985800 -81.4506 78.3275 20.989 64.3388 -151.145 75.0611 126.838 116.485 -167.471 PRESSAVG: 2985800 60.2299 -32.9381 -14.0018 -32.9381 -17.7581 49.6222 -14.0018 49.6221 -65.7922 GPRESSAVG: 2985800 59.9013 -33.5527 -13.9879 -33.3065 -16.6789 49.9078 -13.615 50.1988 -66.4128 TIMING: 2985800 CPU: 8653.39, 0.00289225/step Wall: 8653.39, 0.00289225/step, 1.61821 hours remaining, 208.867188 MB of memory in use. ENERGY: 2985800 751.7957 2158.9044 1923.4909 111.0551 -205814.3786 17616.0568 0.0000 0.0000 34409.7848 -148843.2910 300.5092 -183253.0758 -148745.8319 301.0159 -162.1744 -133.3554 558590.3013 -7.7735 -7.7301 PRESSURE: 2986000 -198.812 -123.503 -72.8497 -123.503 -374.623 2.93691 -72.8496 2.93614 -185.639 GPRESSURE: 2986000 -225.899 -28.1972 -67.8778 -168.466 -239.553 -18.8809 -56.0626 -9.33399 -200.359 PRESSAVG: 2986000 85.4978 37.6451 -6.54024 37.6451 -103.253 7.8011 -6.54026 7.80111 -5.96723 GPRESSAVG: 2986000 84.6353 39.378 -6.05256 38.1142 -102.302 8.59546 -8.03133 7.26459 -5.96332 TIMING: 2986000 CPU: 8653.97, 0.00291807/step Wall: 8653.97, 0.00291807/step, 1.6325 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2986000 735.0876 2122.1852 1945.8546 102.2538 -205498.1111 17396.4496 0.0000 0.0000 34319.5361 -148876.7442 299.7210 -183196.2803 -148777.8798 300.5813 -253.0249 -221.9370 557988.4299 -7.9074 -7.8765 PRESSURE: 2986200 -33.4905 -213.936 34.5342 -213.937 -138.575 167.309 34.5355 167.309 -226.282 GPRESSURE: 2986200 -18.3238 -191.362 53.8724 -174.712 -102.754 190.151 -3.72938 121.377 -183.08 PRESSAVG: 2986200 13.9808 -52.1194 2.01401 -52.1194 -36.0642 15.9065 2.01407 15.9066 -5.70895 GPRESSAVG: 2986200 13.6175 -53.8831 1.4164 -51.868 -36.5448 15.9595 2.6204 15.1675 -4.62286 TIMING: 2986200 CPU: 8654.56, 0.00292237/step Wall: 8654.56, 0.00292237/step, 1.63474 hours remaining, 208.867188 MB of memory in use. ENERGY: 2986200 808.3789 2076.5025 1985.5694 117.8441 -205918.8257 17695.9364 0.0000 0.0000 34412.1668 -148822.4275 300.5300 -183234.5944 -148728.5897 300.4652 -132.7826 -101.3858 557664.2753 -9.2641 -9.1834 PRESSURE: 2986400 -348.396 8.0133 -22.5648 8.01286 12.0758 -175.927 -22.5643 -175.929 66.8384 GPRESSURE: 2986400 -254.019 -18.0244 77.9806 -38.0561 10.1637 -199.849 -95.4449 -164.939 58.3602 PRESSAVG: 2986400 -0.84308 -16.2393 -13.8062 -16.2393 54.8771 22.5931 -13.8063 22.5929 -37.9642 GPRESSAVG: 2986400 -0.586354 -13.2206 -13.3956 -17.5307 55.0955 21.9443 -13.4699 22.7471 -38.5661 TIMING: 2986400 CPU: 8655.13, 0.00289216/step Wall: 8655.13, 0.00289216/step, 1.61768 hours remaining, 208.867188 MB of memory in use. ENERGY: 2986400 751.5514 2050.9005 1951.1999 124.1586 -206027.2059 17835.8165 0.0000 0.0000 34419.5703 -148894.0086 300.5947 -183313.5789 -148800.7614 300.7227 -89.8273 -61.8316 558403.2816 5.3566 5.3143 PRESSURE: 2986600 -31.7155 81.6109 -10.5395 81.6104 -211.943 -86.9619 -10.5389 -86.9613 -104.561 GPRESSURE: 2986600 -52.7012 84.5794 19.3232 57.4135 -125.493 -134.319 -53.018 -64.0364 -57.8025 PRESSAVG: 2986600 -19.7257 -19.0766 -2.37211 -19.0765 57.3245 5.85293 -2.37211 5.85281 -55.2106 GPRESSAVG: 2986600 -20.3929 -21.2556 -0.843619 -17.9432 58.2707 4.42396 -3.41659 7.78331 -54.8272 TIMING: 2986600 CPU: 8655.71, 0.00289834/step Wall: 8655.71, 0.00289834/step, 1.62098 hours remaining, 208.867188 MB of memory in use. ENERGY: 2986600 762.6347 2096.9165 1960.3664 115.4207 -205700.3578 17602.8014 0.0000 0.0000 34364.1611 -148798.0570 300.1108 -183162.2181 -148703.2899 300.3879 -116.0731 -78.6657 558092.2940 -5.8706 -5.6498 PRESSURE: 2986800 -40.707 31.7826 60.848 31.7825 -119.645 -106.056 60.847 -106.056 233.634 GPRESSURE: 2986800 -47.7949 40.0558 109.594 -50.7399 -54.4919 -90.8319 -18.036 -121.163 271.466 PRESSAVG: 2986800 -29.4888 -3.38241 38.036 -3.38243 11.1126 18.882 38.036 18.882 36.4004 GPRESSAVG: 2986800 -29.0843 -2.90724 36.2558 -4.07845 9.95425 21.5493 39.9191 16.3791 37.5365 TIMING: 2986800 CPU: 8656.3, 0.00291641/step Wall: 8656.3, 0.00291641/step, 1.63092 hours remaining, 208.867188 MB of memory in use. ENERGY: 2986800 744.3557 2113.2293 1982.5439 117.2945 -205921.5129 17663.3975 0.0000 0.0000 34406.3324 -148894.3596 300.4791 -183300.6919 -148799.6922 300.6343 24.4273 56.3931 557731.6579 6.0081 6.1355 PRESSURE: 2987000 -260.655 52.9326 -76.6234 52.9325 -169.278 217.797 -76.6233 217.797 -74.0339 GPRESSURE: 2987000 -206.275 53.8358 -156.515 27.0845 -124.986 195.449 15.6122 219.244 -45.6542 PRESSAVG: 2987000 -25.7278 32.5118 -32.6636 32.5118 26.7649 -1.62817 -32.6635 -1.62828 24.6214 GPRESSAVG: 2987000 -25.9855 32.1203 -33.3305 32.8544 28.5392 -2.77983 -31.6068 -0.210869 23.5886 TIMING: 2987000 CPU: 8656.88, 0.00290636/step Wall: 8656.88, 0.00290636/step, 1.62514 hours remaining, 208.867188 MB of memory in use. ENERGY: 2987000 791.2487 2067.2736 1947.6823 111.2812 -205931.4099 17713.6220 0.0000 0.0000 34410.4585 -148889.8436 300.5151 -183300.3021 -148799.4584 300.1345 -167.9891 -125.6385 558636.9451 8.5528 8.7141 PRESSURE: 2987200 136.792 -40.4642 -8.86586 -40.4641 -138.471 -28.1897 -8.86488 -28.1902 -49.3934 GPRESSURE: 2987200 205.818 3.15465 23.5519 18.1061 -96.4146 -39.5779 40.8355 -14.1629 -60.1018 PRESSAVG: 2987200 24.9692 -7.61566 -17.0821 -7.61574 -40.0628 8.06866 -17.0822 8.06864 23.3737 GPRESSAVG: 2987200 26.9497 -7.07406 -16.067 -7.75376 -40.1573 9.34836 -18.5122 7.55209 21.8481 TIMING: 2987200 CPU: 8657.47, 0.00293898/step Wall: 8657.47, 0.00293898/step, 1.64322 hours remaining, 208.867188 MB of memory in use. ENERGY: 2987200 788.6233 2128.7408 1933.9226 114.7341 -206030.6139 17812.2883 0.0000 0.0000 34462.1516 -148790.1532 300.9665 -183252.3048 -148704.3936 300.7970 -17.0244 16.4338 557294.0821 2.7600 2.8802 PRESSURE: 2987400 -111.568 -21.738 249.127 -21.736 -28.3416 -142.829 249.126 -142.828 -355.717 GPRESSURE: 2987400 -99.3481 -15.0967 211.192 -3.45077 9.93081 -222.627 166.959 -196.832 -309.236 PRESSAVG: 2987400 22.8416 11.2158 18.2174 11.2158 -11.4652 27.1438 18.2175 27.1439 9.65943 GPRESSAVG: 2987400 21.2434 12.5951 19.6736 12.3776 -11.6484 24.1695 17.5623 28.4788 11.4723 TIMING: 2987400 CPU: 8658.05, 0.00292597/step Wall: 8658.05, 0.00292597/step, 1.63578 hours remaining, 208.867188 MB of memory in use. ENERGY: 2987400 747.2462 2121.2330 1917.4775 106.0372 -205600.8293 17594.2885 0.0000 0.0000 34344.7410 -148769.8057 299.9412 -183114.5468 -148677.1865 300.4814 -165.2090 -132.8845 557835.7424 7.0119 7.0225 PRESSURE: 2987600 68.681 -33.0954 110.723 -33.0957 -141.314 44.1407 110.724 44.1414 -332.568 GPRESSURE: 2987600 122.973 -72.6506 16.1466 0.648955 -170.721 57.3335 134.265 7.62836 -255.606 PRESSAVG: 2987600 28.4386 7.98921 -31.8264 7.98917 5.98234 11.1595 -31.8264 11.1596 -45.2299 GPRESSAVG: 2987600 29.7565 6.4413 -32.6536 5.85335 6.21224 11.303 -30.7764 10.0417 -45.7944 TIMING: 2987600 CPU: 8658.63, 0.0029053/step Wall: 8658.63, 0.0029053/step, 1.62406 hours remaining, 208.867188 MB of memory in use. ENERGY: 2987600 763.8556 2063.1296 1929.9965 113.4513 -205611.3865 17395.7138 0.0000 0.0000 34414.4273 -148930.8124 300.5498 -183345.2397 -148836.5626 300.7277 -135.0670 -101.1178 557132.3305 -3.6030 -3.2752 PRESSURE: 2987800 94.4332 40.8489 -62.1082 40.85 108.26 189.699 -62.107 189.696 198.101 GPRESSURE: 2987800 71.795 29.8922 49.9064 21.2495 181.707 218.643 -135.342 80.0513 242.61 PRESSAVG: 2987800 44.109 -3.71189 15.0762 -3.71181 1.99788 49.7665 15.0761 49.7664 -41.3614 GPRESSAVG: 2987800 43.1049 -4.76308 15.432 -3.54692 2.21535 50.2445 15.3177 49.4285 -41.1471 TIMING: 2987800 CPU: 8659.21, 0.00289585/step Wall: 8659.21, 0.00289585/step, 1.61862 hours remaining, 208.867188 MB of memory in use. ENERGY: 2987800 718.9092 2092.5549 1971.7198 117.8202 -206111.4399 17944.0057 0.0000 0.0000 34320.0322 -148946.3979 299.7254 -183266.4301 -148849.1920 300.1907 133.5981 165.3707 557468.6799 1.5818 1.3911 PRESSURE: 2988000 -86.3957 -165.493 31.1321 -165.495 -319.059 26.1277 31.1325 26.1273 -348.317 GPRESSURE: 2988000 -37.1645 -92.4307 -8.81344 -109.808 -355.853 37.3954 -14.6476 -7.1589 -272.601 PRESSAVG: 2988000 -66.6235 -9.22278 -38.173 -9.22279 -31.2355 -8.40381 -38.173 -8.40378 116.271 GPRESSAVG: 2988000 -66.4415 -10.115 -38.8796 -7.78306 -33.4163 -9.61397 -36.7399 -6.38221 117.799 TIMING: 2988000 CPU: 8659.79, 0.00291749/step Wall: 8659.79, 0.00291749/step, 1.63055 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2988000 752.5471 2124.4398 1985.9008 109.1554 -205494.3827 17192.6069 0.0000 0.0000 34488.1459 -148841.5869 301.1936 -183329.7328 -148741.7399 300.7856 -251.2570 -221.8726 557563.4847 6.1373 5.9803 PRESSURE: 2988200 35.4308 -60.3621 -77.3464 -60.3621 44.2439 -11.019 -77.3471 -11.0188 195.505 GPRESSURE: 2988200 85.8061 -118.033 8.25797 -63.3024 91.9412 -71.664 -62.624 -33.9355 202.489 PRESSAVG: 2988200 -58.8919 22.7021 -3.23803 22.7021 52.5736 -28.398 -3.23804 -28.398 39.6274 GPRESSAVG: 2988200 -59.9911 25.8648 -5.3781 20.9576 54.1524 -25.9026 -2.93954 -30.9912 39.3995 TIMING: 2988200 CPU: 8660.38, 0.00291083/step Wall: 8660.38, 0.00291083/step, 1.62667 hours remaining, 208.867188 MB of memory in use. ENERGY: 2988200 775.4538 2095.4826 1958.9832 97.8248 -205920.7619 17887.5470 0.0000 0.0000 34394.4481 -148711.0225 300.3753 -183105.4706 -148614.2915 300.1655 91.7266 126.7454 559560.4356 11.1030 11.1869 LDB: ============= START OF LOAD BALANCING ============== 8663.76 LDB: ============== END OF LOAD BALANCING =============== 8663.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8663.76 LDB: ============= START OF LOAD BALANCING ============== 8664.06 LDB: Largest compute 4800 load 0.026199 is 22.2% of average load 0.117949 LDB: Average compute 0.001750 is 1.5% of average load 0.117949 LDB: TIME 8664.06 LOAD: AVG 0.117949 MAX 0.179725 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.836 MB LDB: TIME 8664.06 LOAD: AVG 0.117949 MAX 0.179725 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.914 MB LDB: TIME 8664.06 LOAD: AVG 0.117949 MAX 0.179725 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.914 MB LDB: ============== END OF LOAD BALANCING =============== 8664.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8664.06 PRESSURE: 2988400 -152.1 -47.0821 -62.8765 -47.0835 -18.6572 -104.967 -62.8769 -104.967 -265.013 GPRESSURE: 2988400 -93.9718 -22.4167 -133.592 -112.645 11.9343 -34.6348 -83.5886 -134.628 -263.865 PRESSAVG: 2988400 -86.5814 -51.6318 7.48403 -51.6318 91.8407 12.7333 7.48403 12.7332 9.7997 GPRESSAVG: 2988400 -85.5855 -53.4266 10.9776 -49.5861 91.4699 13.2685 5.40946 12.244 9.80798 TIMING: 2988400 CPU: 8660.97, 0.00296207/step Wall: 8660.97, 0.00296207/step, 1.65514 hours remaining, 208.988281 MB of memory in use. ENERGY: 2988400 807.4759 2077.0573 1967.5360 110.2555 -205831.6791 17617.7657 0.0000 0.0000 34401.3352 -148850.2534 300.4354 -183251.5887 -148748.8944 300.9635 -145.2566 -115.3009 559206.2228 5.0197 5.2308 PRESSURE: 2988600 -248.427 135.578 -151.028 135.577 -223.829 233.719 -151.027 233.72 31.6675 GPRESSURE: 2988600 -225.11 112.703 -193.034 121.832 -195.528 199.004 -156.59 263.28 71.5861 PRESSAVG: 2988600 -26.6353 -32.8956 6.83305 -32.8956 -21.5497 0.333362 6.83303 0.333278 66.9625 GPRESSAVG: 2988600 -27.2092 -32.3931 6.7296 -33.6848 -20.6986 -1.1481 6.08753 0.933031 66.868 TIMING: 2988600 CPU: 8661.55, 0.00289603/step Wall: 8661.55, 0.00289603/step, 1.61808 hours remaining, 209.449219 MB of memory in use. ENERGY: 2988600 811.5284 2065.7851 1951.4798 123.1250 -206088.8182 17744.7958 0.0000 0.0000 34359.0462 -149033.0579 300.0661 -183392.1041 -148931.7254 300.5518 -146.8631 -116.3506 558137.4561 6.2592 6.3201 PRESSURE: 2988800 -169.08 -136.221 123.065 -136.222 -247.314 -33.9345 123.064 -33.9319 -17.059 GPRESSURE: 2988800 -161.762 -129.484 71.9201 -215.158 -208.61 -105.034 107.516 -72.6399 44.4928 PRESSAVG: 2988800 23.6477 47.3586 32.4743 47.3585 -14.9453 -10.5078 32.4743 -10.5078 2.27846 GPRESSAVG: 2988800 23.5854 46.3901 30.8091 47.9657 -13.6148 -10.9476 32.4952 -11.7256 1.13899 TIMING: 2988800 CPU: 8662.12, 0.0028778/step Wall: 8662.12, 0.0028778/step, 1.60773 hours remaining, 209.449219 MB of memory in use. ENERGY: 2988800 733.2741 2103.7858 1969.1529 133.5699 -205845.9393 17650.8285 0.0000 0.0000 34261.2343 -148994.0938 299.2119 -183255.3281 -148886.5900 299.6506 -144.4844 -108.6266 558803.3560 3.6603 3.7032 PRESSURE: 2989000 93.0958 -178.967 -100.101 -178.967 227.485 59.0706 -100.1 59.0722 120.778 GPRESSURE: 2989000 117.988 -188.136 -45.4789 -153.288 259.009 114.551 -101.985 -20.063 167.3 PRESSAVG: 2989000 10.8624 -2.93025 51.0352 -2.93022 -14.0591 25.1064 51.0352 25.1061 -27.7455 GPRESSAVG: 2989000 11.2377 -4.04469 50.5712 -2.17083 -14.9725 26.1756 52.0164 24.825 -27.2142 TIMING: 2989000 CPU: 8662.7, 0.0028735/step Wall: 8662.7, 0.0028735/step, 1.60517 hours remaining, 209.449219 MB of memory in use. ENERGY: 2989000 751.9810 2077.4544 1972.8411 111.2393 -206121.0846 17995.5608 0.0000 0.0000 34207.8451 -149004.1628 298.7456 -183212.0079 -148898.2870 299.7256 147.1195 181.4325 556919.4760 -10.3141 -10.3163 PRESSURE: 2989200 -37.8719 65.4272 -1.48879 65.4273 -78.8792 92.4562 -1.48823 92.456 -58.6324 GPRESSURE: 2989200 8.88426 10.0147 -19.7806 45.4965 -39.7185 114.422 7.2169 112.752 -56.1418 PRESSAVG: 2989200 -47.9533 23.8742 24.2357 23.8743 -21.142 -31.3917 24.2357 -31.3917 19.904 GPRESSAVG: 2989200 -47.4993 24.6826 26.3638 22.6254 -21.7473 -31.5675 23.3234 -29.6891 19.9541 TIMING: 2989200 CPU: 8663.27, 0.00287364/step Wall: 8663.27, 0.00287364/step, 1.60509 hours remaining, 209.449219 MB of memory in use. ENERGY: 2989200 747.6634 2079.0165 1956.6496 107.6050 -206107.5920 17723.2876 0.0000 0.0000 34339.8585 -149153.5114 299.8985 -183493.3699 -149056.3858 299.7674 -58.4612 -28.9920 557056.6949 -16.3971 -16.4308 PRESSURE: 2989400 -341.871 -126.991 149.754 -126.989 -109.674 -74.14 149.754 -74.1407 -240.76 GPRESSURE: 2989400 -285.444 -110.672 131.131 -162.489 -100.416 -78.1298 175.29 -51.9924 -215.049 PRESSAVG: 2989400 -5.57589 -3.39722 9.41536 -3.39719 1.95464 3.81214 9.41535 3.81206 25.4032 GPRESSAVG: 2989400 -5.99283 -1.08706 8.82057 -4.00878 1.9019 2.82628 9.36416 3.59744 25.435 TIMING: 2989400 CPU: 8663.85, 0.00288718/step Wall: 8663.85, 0.00288718/step, 1.61249 hours remaining, 209.449219 MB of memory in use. ENERGY: 2989400 728.9928 2095.8238 1985.1171 106.3375 -205918.9721 17485.1456 0.0000 0.0000 34284.4124 -149233.1429 299.4143 -183517.5553 -149135.4171 299.6977 -230.7682 -200.3028 557880.0075 7.2606 7.1147 PRESSURE: 2989600 -233.499 34.1617 -111.341 34.1604 271.687 -0.246117 -111.342 -0.246369 1.90346 GPRESSURE: 2989600 -222.264 65.6108 -95.089 92.2284 289.048 -23.0843 -113.207 37.7438 67.1267 PRESSAVG: 2989600 69.4274 -28.0359 -35.8807 -28.0358 -8.42609 2.12946 -35.8807 2.12956 -33.7216 GPRESSAVG: 2989600 70.0144 -26.5743 -34.693 -29.2681 -8.62083 2.97972 -36.1488 2.35302 -34.0263 TIMING: 2989600 CPU: 8664.43, 0.00290117/step Wall: 8664.43, 0.00290117/step, 1.62014 hours remaining, 209.449219 MB of memory in use. ENERGY: 2989600 744.6823 2100.2387 1931.1044 116.3300 -206005.7693 17715.4702 0.0000 0.0000 34241.1602 -149156.7836 299.0366 -183397.9438 -149060.5017 299.3250 13.3639 44.6370 557564.6709 9.0932 9.1224 PRESSURE: 2989800 -234.592 -59.0049 99.7867 -59.0047 68.0189 -66.6884 99.7861 -66.6902 -53.9958 GPRESSURE: 2989800 -183.029 -88.0901 99.7904 64.2937 103.628 -83.3606 141.776 -1.99222 -40.8845 PRESSAVG: 2989800 69.2946 -19.1499 -8.60582 -19.1499 -17.1468 22.1347 -8.60578 22.1347 -26.2775 GPRESSAVG: 2989800 69.1487 -23.2337 -8.99065 -17.2456 -17.6207 21.8948 -9.58516 23.9097 -25.7817 TIMING: 2989800 CPU: 8665.01, 0.00290954/step Wall: 8665.01, 0.00290954/step, 1.62465 hours remaining, 209.570312 MB of memory in use. ENERGY: 2989800 727.7305 2112.4298 1942.8888 98.2796 -205931.5776 17614.3015 0.0000 0.0000 34236.0849 -149199.8625 298.9922 -183435.9474 -149107.6030 299.1579 -73.5228 -40.0951 558126.0100 8.6234 8.5821 PRESSURE: 2990000 197.254 51.2388 -7.65054 51.2391 -229.506 68.6253 -7.65082 68.6253 -66.5947 GPRESSURE: 2990000 182.729 44.8817 -36.6569 79.9702 -168.626 3.47704 -23.0275 69.9649 -19.8664 PRESSAVG: 2990000 26.3258 20.088 -6.42328 20.088 30.6458 -19.8477 -6.42332 -19.8477 -64.6922 GPRESSAVG: 2990000 26.1493 22.8952 -6.93424 18.3333 31.314 -19.0405 -3.70905 -22.9676 -65.3074 TIMING: 2990000 CPU: 8665.59, 0.00289674/step Wall: 8665.59, 0.00289674/step, 1.61735 hours remaining, 209.570312 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: 2990000 720.0909 2189.9800 1985.6971 117.1996 -206349.7442 17733.2517 0.0000 0.0000 34420.2501 -149183.2746 300.6006 -183603.5247 -149089.8391 299.5665 -32.9489 -1.9211 557268.2661 -2.5735 -2.6147 PRESSURE: 2990200 -34.7582 52.9575 155.097 52.9583 90.2361 122.077 155.097 122.078 300.482 GPRESSURE: 2990200 19.8968 -17.2456 97.7921 177.856 132.262 79.6629 121.532 80.9402 313.514 PRESSAVG: 2990200 -33.2345 69.3254 -4.10689 69.3255 -21.9168 -40.3292 -4.10684 -40.3291 39.9552 GPRESSAVG: 2990200 -33.3784 68.9526 -2.50151 69.4851 -21.9215 -41.1797 -6.18413 -39.0895 39.7253 TIMING: 2990200 CPU: 8666.17, 0.00288863/step Wall: 8666.17, 0.00288863/step, 1.61266 hours remaining, 209.773438 MB of memory in use. ENERGY: 2990200 797.4022 2069.8235 1968.6794 119.1554 -206677.5126 18189.7228 0.0000 0.0000 34295.8754 -149236.8539 299.5144 -183532.7294 -149144.2472 299.7392 118.6534 155.2243 557128.0690 -5.0653 -5.1915 PRESSURE: 2990400 -19.2358 95.1434 69.9543 95.1434 -199.588 -141.08 69.9539 -141.083 118.589 GPRESSURE: 2990400 32.5407 29.981 22.3339 88.3185 -153.771 -109.523 169.113 -70.8823 110.603 PRESSAVG: 2990400 -40.08 41.3712 -6.07502 41.3711 -5.06362 2.10832 -6.07487 2.10831 49.8258 GPRESSAVG: 2990400 -38.3665 39.2923 -7.00263 43.1266 -5.89586 1.05445 -3.00409 3.34532 49.6019 TIMING: 2990400 CPU: 8666.75, 0.0028863/step Wall: 8666.75, 0.0028863/step, 1.6112 hours remaining, 209.773438 MB of memory in use. ENERGY: 2990400 716.6808 2054.0978 1943.4618 114.1580 -206256.4323 17619.6386 0.0000 0.0000 34512.8669 -149295.5284 301.4095 -183808.3953 -149203.1840 299.7734 -33.4114 -3.5423 556346.0014 1.5607 1.7799 PRESSURE: 2990600 -67.1449 82.4541 65.9508 82.4544 -96.2948 194.946 65.9519 194.946 248.165 GPRESSURE: 2990600 -19.4145 131.054 104.666 7.61858 -51.2864 156.068 -10.3616 204.819 258.657 PRESSAVG: 2990600 -7.91278 21.5082 67.4051 21.5082 -3.07267 -3.90191 67.405 -3.902 32.0157 GPRESSAVG: 2990600 -8.84548 21.4503 66.5505 20.2904 -1.99661 -1.45417 65.7838 -3.38641 31.4188 TIMING: 2990600 CPU: 8667.33, 0.00290316/step Wall: 8667.33, 0.00290316/step, 1.62045 hours remaining, 209.773438 MB of memory in use. ENERGY: 2990600 729.2615 2105.7307 1994.3897 112.0852 -206329.9949 17857.1858 0.0000 0.0000 34371.7947 -149159.5473 300.1774 -183531.3420 -149060.3894 300.3663 28.2419 62.6521 557947.6127 7.0101 6.8589 PRESSURE: 2990800 -242.811 5.58816 -3.64558 5.58767 -603.338 -87.5289 -3.6449 -87.5282 -408.487 GPRESSURE: 2990800 -199.648 21.2652 -97.5346 44.3225 -581.743 -25.1622 -46.4387 -139.966 -368.112 PRESSAVG: 2990800 -65.0666 -31.8342 8.92447 -31.8344 -12.4121 1.28752 8.92456 1.28747 60.6456 GPRESSAVG: 2990800 -64.4115 -32.3478 9.76892 -30.2256 -13.4773 0.166627 12.1653 0.471019 61.0392 TIMING: 2990800 CPU: 8667.91, 0.00290146/step Wall: 8667.91, 0.00290146/step, 1.61934 hours remaining, 209.773438 MB of memory in use. ENERGY: 2990800 780.1167 2027.9282 1964.3987 99.5097 -205378.4233 17100.7600 0.0000 0.0000 34336.2563 -149069.4538 299.8671 -183405.7101 -148965.1131 300.2457 -418.2121 -383.1677 558130.2123 -5.6111 -5.6165 PRESSURE: 2991000 -136.262 -39.6408 123.925 -39.6416 158.901 16.4478 123.925 16.448 -17.7856 GPRESSURE: 2991000 -111.647 -62.3336 113.31 -89.4876 235.011 92.4449 182.375 20.6931 -16.281 PRESSAVG: 2991000 -3.81764 9.25941 -11.7652 9.25942 -0.554297 -66.8104 -11.7652 -66.8105 13.1552 GPRESSAVG: 2991000 -3.42331 10.3009 -9.83914 7.60585 -1.11057 -67.3358 -14.8876 -66.779 13.2558 TIMING: 2991000 CPU: 8668.49, 0.00289412/step Wall: 8668.49, 0.00289412/step, 1.61508 hours remaining, 209.773438 MB of memory in use. ENERGY: 2991000 773.8738 2077.2180 1938.9736 117.9881 -205845.0557 17651.6035 0.0000 0.0000 34226.9617 -149058.4371 298.9126 -183285.3988 -148966.7893 300.0943 1.6176 35.6944 557008.2583 2.9277 2.9073 PRESSURE: 2991200 222.257 53.156 -134.445 53.1565 -145.791 -53.0413 -134.446 -53.0422 -238.444 GPRESSURE: 2991200 192.412 38.7065 -152.682 96.6786 -123.893 -146.239 -61.3683 -64.5076 -125.925 PRESSAVG: 2991200 -6.63422 -11.0041 -19.3269 -11.0042 -24.5345 -23.1381 -19.3269 -23.1381 33.7416 GPRESSAVG: 2991200 -8.1526 -10.7501 -20.2599 -12.0178 -23.5286 -22.9609 -18.7595 -21.7668 34.4439 TIMING: 2991200 CPU: 8669.06, 0.00288787/step Wall: 8669.06, 0.00288787/step, 1.61143 hours remaining, 209.773438 MB of memory in use. ENERGY: 2991200 765.4915 2114.7979 1949.9754 122.4994 -206233.3385 17789.1639 0.0000 0.0000 34324.1194 -149167.2910 299.7611 -183491.4104 -149069.8517 299.6975 -53.9928 -19.1351 556843.7322 0.8576 0.9209 PRESSURE: 2991400 -143.394 17.7736 116.059 17.7752 -37.0925 -194.061 116.058 -194.06 -492.044 GPRESSURE: 2991400 -127.618 -90.2487 127.473 61.6475 50.6526 -241.443 88.1181 -46.0352 -497.46 PRESSAVG: 2991400 -27.6661 27.9425 12.2421 27.9424 59.2833 -12.6486 12.2421 -12.6487 -29.2801 GPRESSAVG: 2991400 -26.9914 25.8062 12.2268 30.292 59.4373 -16.0322 12.8575 -13.4401 -30.4198 TIMING: 2991400 CPU: 8669.64, 0.0028908/step Wall: 8669.64, 0.0028908/step, 1.6129 hours remaining, 209.773438 MB of memory in use. ENERGY: 2991400 730.6900 2081.7831 1980.8771 116.7825 -205641.7964 17429.7400 0.0000 0.0000 34208.2130 -149093.7108 298.7488 -183301.9238 -148998.4764 299.3910 -224.1769 -191.4752 559067.2751 0.7790 0.6754 PRESSURE: 2991600 78.009 23.6671 -54.2265 23.6671 25.0865 -34.3159 -54.2268 -34.3165 151.817 GPRESSURE: 2991600 134.598 95.3268 106.88 -48.4186 44.9214 20.5149 -79.3972 -84.5516 152.86 PRESSAVG: 2991600 -9.60596 16.8979 24.1008 16.8978 52.9184 25.1356 24.1007 25.1355 -33.1448 GPRESSAVG: 2991600 -8.63271 17.1727 24.195 17.3404 51.6906 29.0185 23.0238 24.3086 -32.99 TIMING: 2991600 CPU: 8670.23, 0.0029267/step Wall: 8670.23, 0.0029267/step, 1.63277 hours remaining, 209.773438 MB of memory in use. ENERGY: 2991600 718.3182 2062.0487 1964.0231 105.0972 -206142.4248 17887.5767 0.0000 0.0000 34232.3004 -149173.0606 298.9592 -183405.3610 -149081.8283 298.9316 84.9710 110.7931 557763.9403 3.3892 3.3560 PRESSURE: 2991800 162.843 -79.8912 -83.244 -79.8915 174.165 102.417 -83.2442 102.415 36.8398 GPRESSURE: 2991800 201.446 -73.801 -103.205 -132.309 184.22 73.5175 -54.7124 82.7629 88.4395 PRESSAVG: 2991800 -29.2935 8.30083 -25.3956 8.30077 -4.55919 10.0712 -25.3956 10.0712 41.6444 GPRESSAVG: 2991800 -29.4683 9.36636 -25.1702 8.381 -4.3699 10.1969 -25.9819 11.2376 41.5265 TIMING: 2991800 CPU: 8670.81, 0.00291278/step Wall: 8670.81, 0.00291278/step, 1.62484 hours remaining, 209.773438 MB of memory in use. ENERGY: 2991800 769.5046 2091.3503 1978.5436 113.8546 -206351.0031 17957.6613 0.0000 0.0000 34389.5977 -149050.4911 300.3329 -183440.0888 -148949.3501 300.0604 124.6158 158.0353 556102.7828 2.5972 2.5628 PRESSURE: 2992000 -101.5 -105.772 -63.9148 -105.773 -34.2392 -7.47507 -63.9137 -7.47437 -141.419 GPRESSURE: 2992000 -79.9852 -266.991 -45.3059 16.6081 -16.1868 62.2226 -93.678 -32.6007 -94.1042 PRESSAVG: 2992000 14.9639 -29.8903 11.3663 -29.8903 10.334 14.2928 11.3663 14.2928 -17.2481 GPRESSAVG: 2992000 14.7755 -30.1785 11.9544 -28.9604 9.08987 14.9821 11.0137 12.4762 -15.9089 TIMING: 2992000 CPU: 8671.39, 0.0029025/step Wall: 8671.39, 0.0029025/step, 1.61895 hours remaining, 209.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2992000 744.8556 2105.3745 1970.8016 107.7302 -205725.1200 17485.1360 0.0000 0.0000 34282.1721 -149029.0502 299.3947 -183311.2223 -148934.7976 299.7285 -92.3861 -63.4254 557233.3901 2.6833 2.6522 PRESSURE: 2992200 -112.709 54.9217 105.132 54.9237 247.953 67.0965 105.132 67.0957 315.878 GPRESSURE: 2992200 -59.5365 70.2841 131.701 107.229 240.405 22.2894 64.8933 114.109 368.786 PRESSAVG: 2992200 -67.1351 -9.19911 2.43862 -9.19911 43.0241 -10.2227 2.43861 -10.2227 68.8274 GPRESSAVG: 2992200 -67.8116 -9.48527 0.140466 -10.2558 44.8239 -11.991 2.32657 -9.63586 67.4708 TIMING: 2992200 CPU: 8671.97, 0.00289993/step Wall: 8671.97, 0.00289993/step, 1.61735 hours remaining, 209.773438 MB of memory in use. ENERGY: 2992200 739.4166 2120.7347 1951.6692 118.1781 -206243.6835 17908.5279 0.0000 0.0000 34331.4676 -149073.6894 299.8252 -183405.1570 -148975.7642 299.6538 150.3741 183.2180 557474.0109 14.9054 14.8277 LDB: ============= START OF LOAD BALANCING ============== 8675.35 LDB: ============== END OF LOAD BALANCING =============== 8675.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8675.36 LDB: ============= START OF LOAD BALANCING ============== 8675.65 LDB: Largest compute 4800 load 0.026050 is 22.1% of average load 0.117952 LDB: Average compute 0.001745 is 1.5% of average load 0.117952 LDB: TIME 8675.65 LOAD: AVG 0.117952 MAX 0.180583 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.73 MB LDB: TIME 8675.65 LOAD: AVG 0.117952 MAX 0.180583 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.934 MB LDB: TIME 8675.65 LOAD: AVG 0.117952 MAX 0.180583 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8675.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8675.66 PRESSURE: 2992400 -95.422 -28.4435 155.855 -28.4455 -29.1272 -39.951 155.856 -39.9501 -243.003 GPRESSURE: 2992400 -40.703 -48.6995 41.656 71.0287 6.49687 -76.4248 131.041 -35.3343 -229.664 PRESSAVG: 2992400 -17.7974 -36.3397 45.4248 -36.3396 13.2141 -36.343 45.4249 -36.343 24.3072 GPRESSAVG: 2992400 -18.8425 -37.217 44.7707 -35.3517 14.1379 -33.9473 46.7517 -37.7959 24.9462 TIMING: 2992400 CPU: 8672.56, 0.00294601/step Wall: 8672.56, 0.00294601/step, 1.64289 hours remaining, 210.808594 MB of memory in use. ENERGY: 2992400 774.8968 2131.9452 1966.0412 118.6283 -206075.4219 17691.2026 0.0000 0.0000 34489.9439 -148902.7639 301.2093 -183392.7077 -148808.9833 299.8376 -122.5174 -87.9568 557156.5359 6.5746 6.7472 PRESSURE: 2992600 4.93004 -3.444 65.3907 -3.44368 26.8687 140.761 65.3904 140.76 45.8219 GPRESSURE: 2992600 104.448 -13.5528 120.278 33.0464 34.4699 98.3502 -4.85618 138.842 30.1227 PRESSAVG: 2992600 88.2123 -2.13497 -46.7795 -2.13505 -48.5991 41.1809 -46.7794 41.1808 -2.61545 GPRESSAVG: 2992600 89.7181 -1.40753 -45.2132 -2.32272 -49.3587 38.4787 -46.6867 41.5292 -3.43798 TIMING: 2992600 CPU: 8673.14, 0.00288214/step Wall: 8673.14, 0.00288214/step, 1.60712 hours remaining, 210.808594 MB of memory in use. ENERGY: 2992600 726.3934 2084.1385 1977.4055 115.1188 -206359.6525 17820.0640 0.0000 0.0000 34621.6437 -149014.8887 302.3594 -183636.5323 -148922.4024 300.5255 25.8735 56.3469 558831.0876 12.3326 12.3071 PRESSURE: 2992800 167.834 -171.033 156.883 -171.034 413.344 -140.713 156.883 -140.712 127.801 GPRESSURE: 2992800 207.771 -175.422 220.056 -109.412 412.457 -146.509 116.517 -152.927 187.025 PRESSAVG: 2992800 0.141248 11.128 82.8436 11.128 -52.1706 5.00739 82.8436 5.00734 49.7713 GPRESSAVG: 2992800 -0.1422 10.6626 82.6393 10.3305 -52.0508 6.0125 80.687 6.25265 50.1642 TIMING: 2992800 CPU: 8673.71, 0.00287238/step Wall: 8673.71, 0.00287237/step, 1.60151 hours remaining, 210.808594 MB of memory in use. ENERGY: 2992800 751.8313 2122.9619 1970.3562 122.7371 -206439.8657 18198.0132 0.0000 0.0000 34420.2500 -148853.7161 300.6006 -183273.9660 -148760.1007 300.7768 236.3260 269.0844 557462.3370 -0.7527 -0.6763 PRESSURE: 2993000 224.894 47.1244 -41.3902 47.1241 3.88075 17.3912 -41.3907 17.392 25.6395 GPRESSURE: 2993000 206.161 -54.2826 -46.6245 143.615 106.661 -18.5608 10.8666 24.183 50.4645 PRESSAVG: 2993000 60.6432 2.70632 19.8 2.7063 -13.7009 -56.7749 19.7999 -56.7747 -18.3812 GPRESSAVG: 2993000 60.0382 1.88702 19.3119 2.75065 -13.1184 -56.7426 21.4036 -56.6959 -18.4289 TIMING: 2993000 CPU: 8674.29, 0.00287857/step Wall: 8674.29, 0.00287857/step, 1.6048 hours remaining, 210.808594 MB of memory in use. ENERGY: 2993000 725.8362 2089.0858 1972.4473 118.5186 -206042.6697 17900.6776 0.0000 0.0000 34323.7246 -148912.3796 299.7576 -183236.1042 -148816.9745 300.1058 84.8047 121.0956 557870.2366 9.5204 9.4969 PRESSURE: 2993200 -168.996 63.9632 83.1767 63.9637 -182.546 10.3866 83.1764 10.3869 -195.455 GPRESSURE: 2993200 -118.195 58.9663 117.047 42.3421 -136.332 31.6219 108.945 35.3945 -192.385 PRESSAVG: 2993200 -23.1651 -35.6576 -16.6159 -35.6575 -40.2196 -39.8524 -16.616 -39.8525 27.4034 GPRESSAVG: 2993200 -24.1005 -32.8866 -14.9519 -35.2229 -39.6749 -38.186 -17.1199 -40.3023 27.9251 TIMING: 2993200 CPU: 8674.86, 0.00288115/step Wall: 8674.86, 0.00288115/step, 1.60608 hours remaining, 210.808594 MB of memory in use. ENERGY: 2993200 752.0952 2072.4219 1932.4537 109.5843 -205932.2883 17544.7369 0.0000 0.0000 34727.4465 -148793.5497 303.2834 -183520.9963 -148690.0510 300.1154 -182.3325 -148.9707 557953.3056 -11.9938 -11.9501 PRESSURE: 2993400 -117.753 -6.67506 41.1642 -6.67543 -146.603 -41.9159 41.1648 -41.9162 -269.575 GPRESSURE: 2993400 -101.729 -52.6256 60.5696 -19.6192 -77.8192 -47.6683 55.5519 -2.80271 -277.913 PRESSAVG: 2993400 93.7428 -28.4391 23.5539 -28.4391 -57.5007 3.78002 23.5538 3.78005 3.1567 GPRESSAVG: 2993400 95.2691 -30.2269 22.9542 -28.2077 -57.8722 3.96904 23.5218 2.45221 2.05835 TIMING: 2993400 CPU: 8675.44, 0.00287555/step Wall: 8675.44, 0.00287555/step, 1.6028 hours remaining, 210.808594 MB of memory in use. ENERGY: 2993400 742.6177 2046.3207 1957.5451 102.4250 -205528.7284 17531.8064 0.0000 0.0000 34274.1298 -148873.8838 299.3245 -183148.0136 -148776.8972 299.9018 -177.9771 -152.4871 559414.8843 13.1329 13.1517 PRESSURE: 2993600 -93.9588 25.6852 68.2218 25.6844 169.214 -24.0316 68.2236 -24.0311 -155.76 GPRESSURE: 2993600 -13.7891 22.5793 59.1325 -37.1646 169.587 9.1315 89.1609 -47.4538 -128.318 PRESSAVG: 2993600 25.5055 -9.38591 56.5165 -9.3859 -18.3014 -24.3032 56.5165 -24.303 27.7285 GPRESSAVG: 2993600 26.5278 -9.41822 56.3498 -10.2358 -19.3354 -25.6116 55.8968 -21.8599 28.1316 TIMING: 2993600 CPU: 8676.02, 0.00288913/step Wall: 8676.02, 0.00288913/step, 1.61021 hours remaining, 210.808594 MB of memory in use. ENERGY: 2993600 747.5591 2142.2727 1962.5482 120.5840 -205975.6684 17776.5388 0.0000 0.0000 34466.5760 -148759.5896 301.0052 -183226.1656 -148671.1325 300.2247 -26.8349 9.1598 557878.2124 11.6442 11.7747 PRESSURE: 2993800 67.6516 -127.636 82.4762 -127.636 -64.4655 23.9129 82.4779 23.914 190.636 GPRESSURE: 2993800 91.78 -143.715 16.9473 -108.791 -14.094 34.0867 50.0599 108.837 197.371 PRESSAVG: 2993800 -27.7401 -66.1928 24.9556 -66.1927 -0.26257 22.2653 24.9555 22.2654 -10.8648 GPRESSAVG: 2993800 -28.4077 -65.974 24.3175 -67.319 -0.738625 23.2139 26.1742 20.0393 -9.82457 TIMING: 2993800 CPU: 8676.6, 0.00289611/step Wall: 8676.6, 0.00289611/step, 1.61394 hours remaining, 210.808594 MB of memory in use. ENERGY: 2993800 727.4555 2128.4828 1970.8892 116.7372 -206277.6038 17895.7774 0.0000 0.0000 34690.9102 -148747.3514 302.9643 -183438.2617 -148647.6095 300.8867 64.6073 91.6857 556785.7303 -12.9558 -12.9903 PRESSURE: 2994000 251.481 -89.5472 -86.6588 -89.5486 -114.02 79.5933 -86.659 79.5938 97.9513 GPRESSURE: 2994000 346.774 -54.2248 -115.719 -113.136 -94.1442 69.6394 -79.6148 12.6784 73.755 PRESSAVG: 2994000 -2.56924 -43.1555 -59.2675 -43.1555 5.20268 -4.9525 -59.2674 -4.95248 53.7009 GPRESSAVG: 2994000 -1.78122 -43.0401 -58.2353 -40.6215 5.46131 -6.25841 -59.5519 -4.50502 52.8251 TIMING: 2994000 CPU: 8677.18, 0.00290576/step Wall: 8677.18, 0.00290576/step, 1.61915 hours remaining, 210.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2994000 761.8387 2100.2165 2001.4744 110.8482 -206213.1182 18003.0307 0.0000 0.0000 34230.6982 -149005.0116 298.9452 -183235.7099 -148913.0344 300.0709 78.4709 108.7948 558583.6205 18.7781 18.8350 PRESSURE: 2994200 -172.734 -24.1733 -3.82461 -24.1719 -168.58 -25.0136 -3.82431 -25.0131 -423.618 GPRESSURE: 2994200 -201.375 78.2574 103.982 -64.1291 -114.484 11.1897 -2.10554 -20.5081 -351.074 PRESSAVG: 2994200 -13.5448 -27.8681 28.8582 -27.868 19.5119 -8.88152 28.8581 -8.88154 17.9995 GPRESSAVG: 2994200 -13.7128 -27.9662 28.1044 -28.5893 20.152 -9.05783 28.3928 -7.03713 17.6489 TIMING: 2994200 CPU: 8677.76, 0.00291723/step Wall: 8677.76, 0.00291723/step, 1.62538 hours remaining, 210.957031 MB of memory in use. ENERGY: 2994200 790.6110 2109.2495 1939.0259 101.7880 -206070.8728 17614.6299 0.0000 0.0000 34469.5306 -149046.0378 301.0310 -183515.5684 -148943.0311 300.5534 -254.9772 -222.3109 559265.0500 7.9889 8.0294 PRESSURE: 2994400 401.205 -67.5431 -38.2692 -67.543 -70.1265 55.4136 -38.2697 55.413 -28.4973 GPRESSURE: 2994400 389.21 -41.065 -65.7293 -119.065 -25.3279 65.6853 82.8343 4.30343 35.7878 PRESSAVG: 2994400 -34.0935 -51.1392 26.0592 -51.139 53.4822 -38.0009 26.0591 -38.0009 -25.7421 GPRESSAVG: 2994400 -35.4151 -52.1062 26.6287 -51.8999 53.207 -38.2109 26.4481 -40.0401 -24.5077 TIMING: 2994400 CPU: 8678.34, 0.00290021/step Wall: 8678.34, 0.00290021/step, 1.61574 hours remaining, 210.957031 MB of memory in use. ENERGY: 2994400 760.0635 2131.8441 1960.1418 115.4205 -206123.7558 17949.5371 0.0000 0.0000 34223.2186 -148983.5302 298.8799 -183206.7488 -148887.3575 299.8904 100.8603 133.2232 558969.5327 -2.1178 -2.2386 PRESSURE: 2994600 -15.4494 -143.036 -122.932 -143.036 247.674 75.9692 -122.931 75.9701 19.893 GPRESSURE: 2994600 27.7532 -129.203 -150.594 -162.692 277.618 92.4961 -95.8988 37.1567 50.9626 PRESSAVG: 2994600 12.6623 -69.1769 -17.9777 -69.1769 -1.30346 -3.43883 -17.9777 -3.43891 -30.7987 GPRESSAVG: 2994600 14.5467 -67.3071 -18.2873 -69.6656 -1.49981 -3.60502 -16.7774 -1.39386 -32.3601 TIMING: 2994600 CPU: 8678.92, 0.00290226/step Wall: 8678.92, 0.00290226/step, 1.61672 hours remaining, 210.957031 MB of memory in use. ENERGY: 2994600 724.4517 2109.2002 1958.5355 124.4770 -206022.9931 17861.1810 0.0000 0.0000 34228.5655 -149016.5821 298.9266 -183245.1477 -148921.9413 299.6722 84.0391 118.7780 558228.3749 -6.4800 -6.4377 PRESSURE: 2994800 15.3331 17.0236 -47.5396 17.0237 4.23272 -227.745 -47.5403 -227.745 -68.5161 GPRESSURE: 2994800 15.2433 87.2866 -47.1434 52.3745 54.5174 -279.467 -38.1001 -145.483 -24.0389 PRESSAVG: 2994800 -0.796908 13.3219 0.208566 13.3218 34.7407 -10.2681 0.208511 -10.2681 -3.07818 GPRESSAVG: 2994800 -2.07999 11.4557 -0.617771 15.2622 35.1313 -10.2776 0.85955 -10.8032 -2.32673 TIMING: 2994800 CPU: 8679.5, 0.00291627/step Wall: 8679.5, 0.00291627/step, 1.62436 hours remaining, 210.957031 MB of memory in use. ENERGY: 2994800 735.4435 2087.7025 1948.2469 110.1830 -205987.7948 17784.6097 0.0000 0.0000 34340.1121 -148981.4971 299.9007 -183321.6092 -148890.5510 298.9236 -16.3168 15.2406 557936.8267 10.2886 10.2415 PRESSURE: 2995000 -244.507 -77.147 -115.489 -77.1467 0.312991 -53.7917 -115.489 -53.7919 -159.051 GPRESSURE: 2995000 -181.615 -104.634 -127.659 -115.54 23.1357 -130.747 -66.8083 23.8258 -141.66 PRESSAVG: 2995000 -26.2088 -28.2056 2.97306 -28.2056 -31.4908 -21.7896 2.97305 -21.7896 19.2187 GPRESSAVG: 2995000 -26.0323 -27.8334 4.84976 -28.0579 -31.0623 -20.3685 2.66595 -23.6017 19.1227 TIMING: 2995000 CPU: 8680.09, 0.00291622/step Wall: 8680.09, 0.00291622/step, 1.62417 hours remaining, 211.066406 MB of memory in use. ENERGY: 2995000 775.5691 2147.8037 1969.9242 116.5157 -205722.1971 17535.8809 0.0000 0.0000 34304.5753 -148871.9281 299.5904 -183176.5035 -148781.2981 299.5417 -134.4152 -100.0464 558014.4862 -12.8270 -12.6573 PRESSURE: 2995200 -112.544 90.9072 -19.0764 90.9076 180.925 78.1663 -19.0754 78.166 -126.544 GPRESSURE: 2995200 -60.0483 38.0627 33.1447 124.774 208.602 76.1489 -73.7883 97.4106 -119.386 PRESSAVG: 2995200 -59.4267 14.87 -4.00345 14.87 38.6503 -23.7126 -4.00357 -23.7126 44.1873 GPRESSAVG: 2995200 -59.2527 13.7829 -6.09506 15.357 38.1296 -26.1217 -4.55983 -22.0339 44.2039 TIMING: 2995200 CPU: 8680.66, 0.00287352/step Wall: 8680.66, 0.00287352/step, 1.60023 hours remaining, 211.066406 MB of memory in use. ENERGY: 2995200 725.8361 2122.0317 1961.7445 115.0349 -205825.8359 17695.0303 0.0000 0.0000 34282.0730 -148924.0853 299.3939 -183206.1583 -148828.1195 300.0567 -19.3879 9.7225 557641.2163 7.8037 7.6936 PRESSURE: 2995400 286.259 61.379 25.952 61.3796 439.236 107.762 25.9509 107.762 -3.9066 GPRESSURE: 2995400 332.932 73.7364 -23.2762 31.516 486.519 117.398 105.031 148.542 11.3003 PRESSAVG: 2995400 -3.96577 41.1719 1.15437 41.172 63.6859 25.976 1.15441 25.9759 -57.6797 GPRESSAVG: 2995400 -4.46976 42.3361 3.8229 39.4737 64.7949 28.9681 1.36136 24.2686 -58.0896 TIMING: 2995400 CPU: 8681.25, 0.00294518/step Wall: 8681.25, 0.00294518/step, 1.63997 hours remaining, 211.066406 MB of memory in use. ENERGY: 2995400 787.6553 2140.4409 1987.9333 105.4328 -206366.4433 18276.9148 0.0000 0.0000 34176.8779 -148891.1883 298.4752 -183068.0663 -148802.0056 300.0748 240.5293 276.9171 557459.1116 0.6801 0.7452 PRESSURE: 2995600 -54.3909 51.7591 87.7036 51.7594 -212.165 -78.6604 87.7034 -78.6599 135.394 GPRESSURE: 2995600 -4.28549 -14.8511 90.0107 89.8387 -230.777 -136.782 123.01 -83.4104 195.06 PRESSAVG: 2995600 26.7466 5.15703 22.3674 5.15703 2.92739 10.5292 22.3674 10.5293 6.14535 GPRESSAVG: 2995600 25.9957 3.21748 19.317 5.76235 3.06942 8.65785 23.4736 12.3785 6.87058 TIMING: 2995600 CPU: 8681.84, 0.00293409/step Wall: 8681.84, 0.00293409/step, 1.63364 hours remaining, 211.066406 MB of memory in use. ENERGY: 2995600 733.0775 2075.4640 1943.9045 116.1164 -205869.8464 17774.1792 0.0000 0.0000 34386.4461 -148840.6587 300.3054 -183227.1048 -148747.9083 299.6691 -43.7207 -13.3341 557241.4496 11.9398 11.9786 PRESSURE: 2995800 173.643 -17.731 2.07334 -17.7303 81.8209 -78.29 2.07421 -78.2915 -100.864 GPRESSURE: 2995800 112.987 -75.8873 64.5401 -10.3471 131.935 -57.1152 35.8746 -69.9021 14.4409 PRESSAVG: 2995800 -21.7854 44.3785 42.9606 44.3785 79.9869 -21.9003 42.9604 -21.9003 -0.497048 GPRESSAVG: 2995800 -22.0349 46.0334 43.2848 45.5149 80.2251 -20.7814 42.6248 -25.0011 -0.195064 TIMING: 2995800 CPU: 8682.42, 0.00290981/step Wall: 8682.42, 0.00290981/step, 1.61996 hours remaining, 211.066406 MB of memory in use. ENERGY: 2995800 732.1670 2089.3939 1978.7270 100.1429 -205833.9561 17700.4008 0.0000 0.0000 34342.6524 -148890.4720 299.9229 -183233.1245 -148788.9412 299.8475 51.5333 86.4541 559197.5948 19.2348 19.3317 PRESSURE: 2996000 -255.999 59.547 -172.632 59.5474 156.364 6.07849 -172.631 6.07821 -283.126 GPRESSURE: 2996000 -226.661 64.1873 -318.402 39.9523 181.892 -18.7515 -134.869 -66.8771 -238.533 PRESSAVG: 2996000 29.179 23.1044 -13.4724 23.1043 -45.1071 -11.3135 -13.4724 -11.3135 25.7368 GPRESSAVG: 2996000 29.7034 24.1882 -14.5948 21.5852 -45.2998 -12.9077 -13.9238 -8.80207 25.7689 TIMING: 2996000 CPU: 8683.01, 0.00293971/step Wall: 8683.01, 0.00293971/step, 1.63644 hours remaining, 211.066406 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: 2996000 755.7907 2069.7726 1962.9889 99.2444 -205966.7389 17669.3770 0.0000 0.0000 34454.7277 -148954.8376 300.9017 -183409.5653 -148857.6286 300.2702 -127.5870 -94.4340 559123.4713 3.2696 3.3908 PRESSURE: 2996200 -161.445 -146.561 -78.377 -146.562 -4.60207 61.1304 -78.3774 61.1297 86.0322 GPRESSURE: 2996200 -128.71 -89.8213 -53.1453 -150.789 8.01788 90.3794 -123.25 66.8557 147.82 PRESSAVG: 2996200 -87.7696 -13.9744 -80.7458 -13.9745 60.5027 -21.3694 -80.7458 -21.3694 48.0186 GPRESSAVG: 2996200 -87.0601 -15.1443 -80.6888 -12.1257 59.4518 -21.0037 -79.8177 -21.1478 48.4861 TIMING: 2996200 CPU: 8683.59, 0.00292549/step Wall: 8683.59, 0.00292549/step, 1.62836 hours remaining, 211.066406 MB of memory in use. ENERGY: 2996200 744.1050 2119.1832 1958.4750 111.7422 -206106.3640 17809.7612 0.0000 0.0000 34481.1988 -148881.8988 301.1329 -183363.0975 -148788.4006 299.8617 -26.6718 9.0426 557832.8540 6.9172 6.9593 LDB: ============= START OF LOAD BALANCING ============== 8686.98 LDB: ============== END OF LOAD BALANCING =============== 8686.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8686.98 LDB: ============= START OF LOAD BALANCING ============== 8687.27 LDB: Largest compute 4801 load 0.025957 is 22.0% of average load 0.118003 LDB: Average compute 0.001745 is 1.5% of average load 0.118003 LDB: TIME 8687.28 LOAD: AVG 0.118003 MAX 0.178276 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.117 MB LDB: TIME 8687.28 LOAD: AVG 0.118003 MAX 0.178276 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.125 MB LDB: TIME 8687.28 LOAD: AVG 0.118003 MAX 0.178276 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.125 MB LDB: ============== END OF LOAD BALANCING =============== 8687.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8687.28 PRESSURE: 2996400 -199.156 -35.4998 -69.3557 -35.5003 -197.917 70.1367 -69.3556 70.1358 90.7898 GPRESSURE: 2996400 -152.004 -36.1659 -99.9781 -11.5997 -128.514 43.3696 -105.678 78.1026 72.9005 PRESSAVG: 2996400 -64.1451 -15.7616 10.0125 -15.7617 38.3339 19.9902 10.0125 19.9903 16.6928 GPRESSAVG: 2996400 -63.9349 -13.4104 11.4413 -17.1893 39.3802 19.7255 8.09672 19.1005 15.2728 TIMING: 2996400 CPU: 8684.19, 0.00297094/step Wall: 8684.19, 0.00297094/step, 1.65349 hours remaining, 209.261719 MB of memory in use. ENERGY: 2996400 758.0479 2134.4946 1969.0867 118.0643 -205603.4433 17573.6899 0.0000 0.0000 34103.5311 -148946.5289 297.8346 -183050.0599 -148853.6596 300.1093 -102.0945 -69.2059 558749.8016 -3.0395 -3.0940 PRESSURE: 2996600 130.799 -196.04 -21.5348 -196.041 -165.198 35.5282 -21.5364 35.5287 -85.3651 GPRESSURE: 2996600 202.504 -250.989 -47.9625 -128.315 -168.071 3.67636 -33.4739 93.6556 -60.2944 PRESSAVG: 2996600 60.5298 2.53126 10.3428 2.53121 26.0754 -46.7484 10.3428 -46.7484 -80.8746 GPRESSAVG: 2996600 60.5494 -0.648049 10.8132 4.83339 25.8215 -47.781 11.9124 -45.032 -80.6211 TIMING: 2996600 CPU: 8684.77, 0.00289994/step Wall: 8684.77, 0.00289994/step, 1.61381 hours remaining, 209.464844 MB of memory in use. ENERGY: 2996600 753.9819 2012.2601 1956.4023 129.7862 -206213.8652 17809.0623 0.0000 0.0000 34572.8891 -148979.4831 301.9336 -183552.3722 -148881.1809 300.2081 -39.9212 -8.6203 558437.3695 1.9102 1.9166 PRESSURE: 2996800 24.8746 -68.9035 42.183 -68.904 -105.142 76.7124 42.1837 76.7133 -43.863 GPRESSURE: 2996800 98.1388 -153.314 72.0816 -45.9303 -68.3092 17.2931 12.5388 94.9367 -49.5763 PRESSAVG: 2996800 79.2177 -17.4782 -9.17349 -17.4783 -41.6869 49.3229 -9.1734 49.3229 -35.7316 GPRESSAVG: 2996800 79.9341 -15.6279 -10.2742 -20.2921 -41.6144 51.5755 -9.15345 45.7977 -36.1926 TIMING: 2996800 CPU: 8685.35, 0.00289409/step Wall: 8685.35, 0.00289409/step, 1.6104 hours remaining, 209.464844 MB of memory in use. ENERGY: 2996800 743.1905 2071.0936 1954.8494 114.4590 -206017.8846 17736.3921 0.0000 0.0000 34536.1865 -148861.7136 301.6131 -183397.9001 -148763.4907 300.4110 -41.3768 -6.5823 557339.5279 0.5997 0.7090 PRESSURE: 2997000 70.3183 -74.4834 62.1393 -74.4842 228.378 -115.772 62.138 -115.771 -203.034 GPRESSURE: 2997000 103.378 2.4238 -6.89829 -105.38 267.747 -25.6245 125.651 -151.392 -164.602 PRESSAVG: 2997000 36.5638 -6.57765 37.2294 -6.57761 -18.7654 25.3587 37.2296 25.3587 -33.0059 GPRESSAVG: 2997000 36.6292 -5.25352 35.2442 -6.75992 -19.1314 25.5724 39.839 28.4862 -32.4669 TIMING: 2997000 CPU: 8685.92, 0.00289263/step Wall: 8685.92, 0.00289263/step, 1.60943 hours remaining, 209.464844 MB of memory in use. ENERGY: 2997000 779.5058 2011.8517 1983.3640 117.7085 -205945.7000 17835.4514 0.0000 0.0000 34514.8935 -148702.9251 301.4271 -183217.8186 -148605.6663 300.5173 31.8873 68.8410 557017.4627 -5.0691 -4.9897 PRESSURE: 2997200 -77.0899 12.0179 -236.73 12.0169 -103.616 -21.8741 -236.73 -21.874 -48.4796 GPRESSURE: 2997200 -27.304 -14.9793 -222.294 38.7822 -70.2081 54.4896 -188.086 -52.5109 -30.0464 PRESSAVG: 2997200 -30.3785 22.1414 -2.63602 22.1414 62.3763 -23.0482 -2.63599 -23.0481 -15.3568 GPRESSAVG: 2997200 -31.0732 19.3226 -0.618675 25.3328 62.2481 -24.2639 -4.24495 -23.9738 -14.7255 TIMING: 2997200 CPU: 8686.5, 0.00289433/step Wall: 8686.5, 0.00289433/step, 1.61021 hours remaining, 209.464844 MB of memory in use. ENERGY: 2997200 757.6156 2075.2601 1964.6990 124.2236 -205781.6652 17623.5465 0.0000 0.0000 34528.9333 -148707.3871 301.5498 -183236.3204 -148610.4398 300.0629 -76.3953 -42.5195 558342.7338 5.5470 5.4832 PRESSURE: 2997400 -161.372 208.586 98.0594 208.588 -218.174 249.862 98.0601 249.863 -34.4481 GPRESSURE: 2997400 -125.213 221.506 63.2314 200.953 -154.966 294.041 97.0451 262.168 -43.3941 PRESSAVG: 2997400 -12.1984 -33.0414 -6.85972 -33.0414 21.0045 46.5261 -6.85974 46.5261 0.731134 GPRESSAVG: 2997400 -12.4715 -30.6006 -7.39999 -35.2522 21.0136 44.7245 -7.4403 47.9458 0.708047 TIMING: 2997400 CPU: 8687.09, 0.00291501/step Wall: 8687.09, 0.00291501/step, 1.62156 hours remaining, 209.464844 MB of memory in use. ENERGY: 2997400 778.8704 2120.9761 1940.3218 103.1138 -205457.7697 17536.8832 0.0000 0.0000 34347.1471 -148630.4574 299.9622 -182977.6044 -148531.9256 300.0009 -137.9983 -107.8575 558346.6533 3.1791 3.0834 PRESSURE: 2997600 -46.885 44.2202 7.74343 44.2204 168.32 94.2238 7.74322 94.2232 118.497 GPRESSURE: 2997600 -4.42015 4.17332 11.2071 64.671 208.555 96.5391 76.9979 107.912 125.732 PRESSAVG: 2997600 -8.0401 -34.4341 -21.3939 -34.4342 1.35608 52.3004 -21.394 52.3004 -6.27394 GPRESSAVG: 2997600 -8.39461 -36.258 -18.9234 -34.2008 1.3544 54.3418 -23.1911 51.2239 -6.24353 TIMING: 2997600 CPU: 8687.67, 0.00289783/step Wall: 8687.67, 0.00289783/step, 1.61184 hours remaining, 209.464844 MB of memory in use. ENERGY: 2997600 755.4477 2133.9982 1965.3937 110.8063 -206124.3123 17982.5976 0.0000 0.0000 34497.2797 -148678.7890 301.2733 -183176.0687 -148582.7669 300.2295 79.9775 109.9556 556814.1134 -4.3193 -4.4279 PRESSURE: 2997800 -86.7498 -65.3631 33.9778 -65.3635 -191.977 35.3966 33.9785 35.3965 39.0672 GPRESSURE: 2997800 -50.7648 -96.0568 60.5012 -4.07986 -177.267 -29.9925 105.05 9.10062 89.4978 PRESSAVG: 2997800 35.3023 17.9345 -5.93517 17.9345 -30.3641 42.4058 -5.93517 42.4058 -25.1944 GPRESSAVG: 2997800 35.7796 19.4422 -7.06976 17.3356 -30.1298 41.8328 -3.22836 44.3573 -26.0512 TIMING: 2997800 CPU: 8688.25, 0.00289782/step Wall: 8688.25, 0.00289782/step, 1.61167 hours remaining, 209.464844 MB of memory in use. ENERGY: 2997800 760.2878 2047.3091 1971.9484 115.1194 -205871.7498 17651.8222 0.0000 0.0000 34553.2493 -148772.0137 301.7621 -183325.2630 -148677.3341 301.4508 -79.8865 -46.1782 556977.5047 -6.7521 -6.8004 PRESSURE: 2998000 -113.151 -109.179 -127.038 -109.179 -130.285 -60.1647 -127.038 -60.1631 -192.525 GPRESSURE: 2998000 -129.678 -102.109 -177.203 -21.9643 -91.3444 -55.6561 -56.0117 -97.6687 -112.732 PRESSAVG: 2998000 -64.454 22.2022 -36.794 22.2022 45.6754 31.8836 -36.7941 31.8838 56.4646 GPRESSAVG: 2998000 -64.5968 21.1679 -37.7485 22.7964 46.0125 31.1343 -37.7066 31.804 56.2927 TIMING: 2998000 CPU: 8688.82, 0.00289801/step Wall: 8688.82, 0.00289801/step, 1.61161 hours remaining, 209.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2998000 776.7306 2166.8081 1959.6597 110.7198 -205694.6606 17533.4794 0.0000 0.0000 34467.9537 -148679.3094 301.0172 -183147.2630 -148580.8053 301.1248 -145.3203 -111.2517 558218.1797 12.5620 12.5695 PRESSURE: 2998200 -438.96 -38.1446 33.3671 -38.1445 -332.137 -97.482 33.3679 -97.4828 46.1443 GPRESSURE: 2998200 -371.651 -64.7496 120.82 0.10281 -303.681 -217.012 27.7528 30.8333 52.8067 PRESSAVG: 2998200 -46.6144 24.264 -2.43706 24.264 -49.3014 -3.34809 -2.43706 -3.34815 70.3333 GPRESSAVG: 2998200 -47.7982 25.234 -4.59223 23.5141 -48.9607 -3.60127 -1.17677 -4.24773 71.1767 TIMING: 2998200 CPU: 8689.4, 0.00287706/step Wall: 8689.4, 0.00287706/step, 1.5998 hours remaining, 209.464844 MB of memory in use. ENERGY: 2998200 717.1306 2112.7678 1993.0112 115.3896 -205412.4872 17318.5755 0.0000 0.0000 34327.0550 -148828.5574 299.7867 -183155.6124 -148730.5342 300.3606 -241.6508 -207.5085 558028.0292 -8.5275 -8.5274 PRESSURE: 2998400 86.6258 36.6946 115.287 36.695 -162.716 36.761 115.286 36.7625 -299.514 GPRESSURE: 2998400 77.6886 84.544 72.4878 79.9534 -108.793 42.3796 136.096 -13.46 -253.482 PRESSAVG: 2998400 2.18008 -30.6551 44.4764 -30.6551 -9.96627 -25.8156 44.4764 -25.8156 24.3639 GPRESSAVG: 2998400 3.19093 -28.9552 48.5593 -30.296 -10.4455 -23.8057 41.2104 -26.4011 23.6545 TIMING: 2998400 CPU: 8689.98, 0.00288062/step Wall: 8689.98, 0.00288062/step, 1.60162 hours remaining, 209.464844 MB of memory in use. ENERGY: 2998400 752.9388 2116.9905 1942.3634 114.9835 -205478.4748 17412.3222 0.0000 0.0000 34218.0959 -148920.7805 298.8351 -183138.8764 -148830.2754 300.6336 -125.2015 -94.8620 556855.7483 5.5259 5.4666 PRESSURE: 2998600 3.20375 -5.42255 -167.622 -5.42336 167.999 31.9935 -167.621 31.995 108.47 GPRESSURE: 2998600 41.3295 32.6893 -193.654 18.6587 191.624 95.3415 -118.731 59.4122 150.49 PRESSAVG: 2998600 33.2572 -6.81977 14.1482 -6.81978 25.2328 31.48 14.1482 31.48 -25.612 GPRESSAVG: 2998600 34.3987 -9.42496 12.6217 -7.11177 24.845 31.4772 16.8043 31.4548 -26.0496 TIMING: 2998600 CPU: 8690.55, 0.00287529/step Wall: 8690.55, 0.00287529/step, 1.5985 hours remaining, 209.464844 MB of memory in use. ENERGY: 2998600 738.4282 2108.1366 1947.0462 102.6670 -205979.4232 17813.4323 0.0000 0.0000 34390.0859 -148879.6270 300.3372 -183269.7129 -148786.7517 300.3555 93.2241 127.8144 556433.8421 10.9594 11.0647 PRESSURE: 2998800 -128.247 58.7966 -169.028 58.797 -77.3578 104.395 -169.027 104.395 -202.09 GPRESSURE: 2998800 -83.3936 82.2964 -122.516 100.706 -42.5696 189.096 -159.349 169.218 -178.737 PRESSAVG: 2998800 2.46657 42.2185 -64.9849 42.2185 10.7759 19.4451 -64.9848 19.445 6.9855 GPRESSAVG: 2998800 1.54493 42.1556 -64.9125 41.3873 10.6842 18.7015 -65.9483 20.2682 7.51168 TIMING: 2998800 CPU: 8691.13, 0.00289504/step Wall: 8691.13, 0.00289504/step, 1.60932 hours remaining, 209.464844 MB of memory in use. ENERGY: 2998800 723.4015 2137.8583 1986.8989 106.9767 -205542.6387 17484.4871 0.0000 0.0000 34131.2653 -148971.7510 298.0768 -183103.0163 -148873.1794 300.1519 -135.8983 -101.5667 556296.5478 6.7427 6.5803 PRESSURE: 2999000 340.362 101.145 28.5214 101.146 42.0733 5.50434 28.5218 5.50469 37.4781 GPRESSURE: 2999000 349.587 220.126 15.4721 -10.7612 89.5826 75.2743 23.8624 2.84769 67.1193 PRESSAVG: 2999000 13.176 16.6132 -12.5972 16.6132 -14.6675 -13.4059 -12.5971 -13.406 -23.703 GPRESSAVG: 2999000 13.3812 16.6621 -11.3999 19.8581 -15.6327 -14.2227 -12.4116 -14.4926 -22.9692 TIMING: 2999000 CPU: 8691.71, 0.0028909/step Wall: 8691.71, 0.0028909/step, 1.60686 hours remaining, 209.464844 MB of memory in use. ENERGY: 2999000 739.4660 2015.1947 1988.0453 110.0100 -206487.0589 18115.0585 0.0000 0.0000 34502.1223 -149017.1619 301.3156 -183519.2842 -148920.9722 300.0007 139.9710 168.7630 556746.1969 -8.3982 -8.4069 PRESSURE: 2999200 349.004 68.9655 128.692 68.9651 181.771 -171.423 128.693 -171.423 17.3362 GPRESSURE: 2999200 296.569 64.671 69.2243 64.5431 301.059 -76.0333 56.1939 -212.603 55.0384 PRESSAVG: 2999200 80.2805 84.7272 -14.4011 84.7271 31.3188 -20.6667 -14.401 -20.6667 -61.3252 GPRESSAVG: 2999200 79.9329 84.3254 -16.8481 83.6947 32.3308 -21.4166 -12.219 -20.8413 -61.9911 TIMING: 2999200 CPU: 8692.28, 0.00287205/step Wall: 8692.28, 0.00287205/step, 1.59622 hours remaining, 209.464844 MB of memory in use. ENERGY: 2999200 724.2873 2070.8897 1975.6680 107.7034 -206115.9930 17886.0118 0.0000 0.0000 34481.3702 -148870.0627 301.1344 -183351.4329 -148773.7045 299.7369 182.7036 217.5557 557718.3526 16.7580 16.7575 PRESSURE: 2999400 -224.93 -29.8109 -122.599 -29.8099 82.4971 -7.46358 -122.6 -7.46501 117.896 GPRESSURE: 2999400 -151.722 -75.441 -129.216 71.8656 94.3993 63.0716 -137.563 -76.9939 135.402 PRESSAVG: 2999400 -27.0516 0.311019 -16.6884 0.311111 -35.0416 2.85613 -16.6883 2.85608 61.9454 GPRESSAVG: 2999400 -25.0363 2.49902 -16.8013 0.552239 -36.2508 2.94719 -16.8994 3.79074 60.7826 TIMING: 2999400 CPU: 8692.86, 0.00289453/step Wall: 8692.86, 0.00289453/step, 1.60856 hours remaining, 209.464844 MB of memory in use. ENERGY: 2999400 739.7909 2113.3511 1964.0500 118.0276 -206020.7512 17811.6647 0.0000 0.0000 34351.4950 -148922.3719 300.0001 -183273.8669 -148818.1316 299.6796 -8.1790 26.0263 558431.1025 -0.0493 -0.1681 PRESSURE: 2999600 -13.0855 168.365 24.1169 168.366 -271.765 -124.5 24.1178 -124.501 28.6534 GPRESSURE: 2999600 68.2888 258.65 -34.5318 123.436 -249.846 -142.726 39.894 -146.515 40.4859 PRESSAVG: 2999600 -3.48776 -11.9699 38.2711 -11.97 1.33922 14.8741 38.2711 14.8742 15.2938 GPRESSAVG: 2999600 -4.24319 -12.3229 39.5006 -14.4137 2.6822 14.7852 37.8853 13.1995 14.8142 TIMING: 2999600 CPU: 8693.44, 0.00290814/step Wall: 8693.44, 0.00290814/step, 1.61596 hours remaining, 209.464844 MB of memory in use. ENERGY: 2999600 744.8836 2046.2358 1985.3217 125.4803 -206011.6342 17691.0514 0.0000 0.0000 34429.9322 -148988.7292 300.6852 -183418.6614 -148892.1609 300.0311 -85.3990 -47.0239 558906.0102 4.3818 4.4177 PRESSURE: 2999800 -138.949 17.9018 -143.672 17.9018 153.633 117.726 -143.673 117.725 -6.67853 GPRESSURE: 2999800 -62.4872 35.1656 -167.094 14.8076 145.926 156.536 -197.535 72.6499 22.3131 PRESSAVG: 2999800 -12.8725 -12.5729 31.6346 -12.5729 -6.38776 -3.80682 31.6346 -3.80674 -26.3396 GPRESSAVG: 2999800 -13.4945 -11.7783 29.2766 -11.2301 -7.46848 -3.15736 34.2836 -3.5989 -25.5251 TIMING: 2999800 CPU: 8694.02, 0.00289438/step Wall: 8694.02, 0.00289438/step, 1.60815 hours remaining, 209.464844 MB of memory in use. ENERGY: 2999800 732.8685 2080.1249 1954.9683 98.3841 -205819.4361 17678.5722 0.0000 0.0000 34445.9028 -148828.6152 300.8246 -183274.5180 -148730.9178 299.0775 2.6684 35.2507 557869.6235 -15.2000 -15.4960 PRESSURE: 3000000 -141.928 -62.5047 35.6433 -62.5038 2.52512 -117.322 35.6434 -117.323 79.5318 GPRESSURE: 3000000 -125.943 -60.7545 -5.74026 -66.6836 66.5147 -52.2859 9.29215 -174.51 80.0474 PRESSAVG: 3000000 42.7219 31.2208 -53.3925 31.2208 18.1209 -1.64025 -53.3925 -1.64037 -38.0809 GPRESSAVG: 3000000 41.2146 31.9825 -51.2341 31.4931 18.1984 -3.32397 -55.9533 -0.951796 -37.2347 TIMING: 3000000 CPU: 8694.6, 0.00289559/step Wall: 8694.6, 0.00289559/step, 1.60866 hours remaining, 209.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3000000 729.4614 2103.3396 1971.2622 111.1737 -205887.0242 17761.9199 0.0000 0.0000 34439.0630 -148770.8044 300.7649 -183209.8673 -148677.2710 300.8265 -19.9569 6.8730 558003.6201 7.5873 7.3928 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3000000 WRITING COORDINATES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3000200 -19.7531 42.9054 66.1531 42.904 111.365 18.7197 66.1529 18.7188 -47.256 GPRESSURE: 3000200 -54.0461 52.7535 52.7246 94.2536 155.526 70.2341 86.1662 -8.69535 45.4172 PRESSAVG: 3000200 -6.25434 36.7758 -30.9363 36.7758 24.3609 -17.946 -30.9364 -17.946 -63.1287 GPRESSAVG: 3000200 -6.1384 35.738 -29.1105 37.9085 25.4301 -17.5285 -30.3637 -17.8171 -64.2523 TIMING: 3000200 CPU: 8695.24, 0.00320544/step Wall: 8695.24, 0.00320544/step, 1.78062 hours remaining, 209.464844 MB of memory in use. ENERGY: 3000200 726.7255 2085.8663 1947.7566 111.6311 -205755.9019 17919.2569 0.0000 0.0000 34327.1253 -148637.5401 299.7873 -182964.6654 -148535.3749 300.4442 14.7851 48.9657 559960.4906 -15.0074 -14.9869 LDB: ============= START OF LOAD BALANCING ============== 8698.63 LDB: ============== END OF LOAD BALANCING =============== 8698.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8698.63 LDB: ============= START OF LOAD BALANCING ============== 8698.92 LDB: Largest compute 4800 load 0.026127 is 22.1% of average load 0.118029 LDB: Average compute 0.001742 is 1.5% of average load 0.118029 LDB: TIME 8698.92 LOAD: AVG 0.118029 MAX 0.179453 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.035 MB LDB: TIME 8698.92 LOAD: AVG 0.118029 MAX 0.179453 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.055 MB LDB: TIME 8698.92 LOAD: AVG 0.118029 MAX 0.179453 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8698.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8698.93 PRESSURE: 3000400 -16.7218 21.9425 29.7114 21.9432 64.8287 22.5893 29.7111 22.588 -247.838 GPRESSURE: 3000400 25.4301 25.6271 -32.3219 10.803 60.9114 -2.4724 8.16522 70.6213 -180.49 PRESSAVG: 3000400 -12.7441 -25.1058 -8.10037 -25.1058 40.9312 -31.6626 -8.10029 -31.6625 -10.9292 GPRESSAVG: 3000400 -12.1894 -25.2591 -10.6358 -25.2186 40.1191 -30.4888 -7.54275 -31.9867 -10.4625 TIMING: 3000400 CPU: 8695.83, 0.00294249/step Wall: 8695.83, 0.00294249/step, 1.63439 hours remaining, 209.265625 MB of memory in use. ENERGY: 3000400 725.6150 2128.9380 1954.3794 104.6045 -205645.1966 17594.9169 0.0000 0.0000 34365.7195 -148771.0233 300.1244 -183136.7428 -148673.4878 300.6383 -66.5772 -31.3828 558382.2667 5.7526 5.8224 PRESSURE: 3000600 -76.6908 -150.293 -128.364 -150.291 329.185 145.076 -128.363 145.075 62.1639 GPRESSURE: 3000600 -65.0621 -222.135 -104.499 -80.5145 388.834 119.513 -35.8003 65.248 88.0178 PRESSAVG: 3000600 44.4715 -17.6102 17.2708 -17.6102 21.3842 42.5062 17.2708 42.5061 -20.4883 GPRESSAVG: 3000600 44.859 -18.7527 18.5674 -15.3512 21.2865 44.7952 14.7924 41.9117 -21.0705 TIMING: 3000600 CPU: 8696.41, 0.00290775/step Wall: 8696.41, 0.00290775/step, 1.61493 hours remaining, 209.468750 MB of memory in use. ENERGY: 3000600 782.1822 2076.8298 1970.0450 107.4495 -205890.1567 17832.3667 0.0000 0.0000 34372.4457 -148748.8378 300.1831 -183121.2835 -148654.2731 301.1763 104.8860 137.2634 556211.1447 15.1224 15.0250 PRESSURE: 3000800 -224.536 -23.3703 -165.948 -23.3699 204.728 110.504 -165.947 110.503 110.058 GPRESSURE: 3000800 -242.525 60.2703 -181.752 -53.8345 281.739 42.7099 -162.943 159.081 144.69 PRESSAVG: 3000800 -1.2195 -13.753 -83.2345 -13.7529 -11.16 43.2231 -83.2345 43.223 -4.55692 GPRESSAVG: 3000800 -1.80226 -13.5499 -83.0866 -15.1206 -11.071 41.0497 -82.7638 43.5859 -4.48245 TIMING: 3000800 CPU: 8697, 0.00291783/step Wall: 8697, 0.00291783/step, 1.62037 hours remaining, 209.468750 MB of memory in use. ENERGY: 3000800 740.8056 2127.4023 1977.1012 108.8207 -206158.9585 17980.6344 0.0000 0.0000 34368.0079 -148856.1863 300.1444 -183224.1942 -148764.4967 301.5374 30.0832 61.3013 558545.5284 -5.6455 -5.7853 PRESSURE: 3001000 70.2668 -22.1158 -39.5354 -22.1155 -132.035 51.5391 -39.5358 51.5401 125.365 GPRESSURE: 3001000 85.2289 -9.90263 -70.4286 -34.4883 -78.5478 0.807872 -14.9779 104.528 142.589 PRESSAVG: 3001000 27.2792 12.8954 -41.7884 12.8954 33.3526 -31.9239 -41.7883 -31.9238 -38.725 GPRESSAVG: 3001000 27.9499 14.0138 -42.3982 9.35107 32.556 -31.8405 -40.7173 -32.2373 -38.6244 TIMING: 3001000 CPU: 8697.58, 0.00291269/step Wall: 8697.58, 0.00291269/step, 1.61735 hours remaining, 209.468750 MB of memory in use. ENERGY: 3001000 736.0822 2158.5933 1998.0768 118.1873 -205838.0375 17704.9767 0.0000 0.0000 34304.7931 -148817.3281 299.5923 -183122.1212 -148724.2619 300.7448 21.1988 49.7567 559234.8282 7.3022 7.2938 PRESSURE: 3001200 184.283 -124.866 -59.5923 -124.867 112.281 -70.5319 -59.5926 -70.532 9.02632 GPRESSURE: 3001200 237.791 -118.647 -65.2236 -162.729 156.239 -99.7575 2.53989 -57.4944 24.7664 PRESSAVG: 3001200 12.4089 26.2174 -12.9261 26.2175 -25.2994 24.6446 -12.9261 24.6446 43.0949 GPRESSAVG: 3001200 12.3713 26.1041 -13.1893 29.1288 -25.5646 23.5952 -13.6889 23.9138 43.2773 TIMING: 3001200 CPU: 8698.16, 0.00290894/step Wall: 8698.16, 0.00290894/step, 1.61511 hours remaining, 209.468750 MB of memory in use. ENERGY: 3001200 766.7469 2146.6685 1960.1974 117.6110 -206268.3583 17973.4935 0.0000 0.0000 34394.0647 -148909.5763 300.3719 -183303.6410 -148813.9783 300.1650 101.8635 139.5990 557542.6197 10.0681 10.0280 PRESSURE: 3001400 80.2384 275.465 -127.866 275.465 -61.2373 -16.1418 -127.866 -16.1406 -161.248 GPRESSURE: 3001400 125.737 277.839 -152.119 153.925 -36.1154 -75.757 -65.5821 2.44421 -150.08 PRESSAVG: 3001400 40.3614 73.9354 -41.3232 73.9353 32.3009 -5.55745 -41.3232 -5.55739 -78.2813 GPRESSAVG: 3001400 39.8501 75.1852 -39.7238 72.8424 31.8028 -4.24578 -39.5806 -4.96467 -77.5874 TIMING: 3001400 CPU: 8698.74, 0.0029071/step Wall: 8698.74, 0.0029071/step, 1.61392 hours remaining, 209.468750 MB of memory in use. ENERGY: 3001400 754.7751 2064.0033 1989.8565 110.4176 -205676.7921 17650.4778 0.0000 0.0000 34239.8858 -148867.3759 299.0254 -183107.2618 -148767.6440 299.7771 -47.4156 -20.1528 558880.1856 -1.8730 -1.9782 PRESSURE: 3001600 -94.9468 -67.4368 -144.818 -67.4378 -111.446 56.7394 -144.818 56.7394 47.7771 GPRESSURE: 3001600 -61.4094 -20.9669 -219.234 -137.813 -67.596 102.504 -114.675 -1.59854 58.3903 PRESSAVG: 3001600 9.97276 34.8573 -36.6607 34.8573 46.4456 26.188 -36.6607 26.188 -42.0295 GPRESSAVG: 3001600 9.29238 34.1013 -37.7685 36.1673 47.6982 26.444 -39.5486 26.3171 -42.06 TIMING: 3001600 CPU: 8699.31, 0.0028619/step Wall: 8699.31, 0.0028619/step, 1.58867 hours remaining, 209.468750 MB of memory in use. ENERGY: 3001600 747.4946 2090.1055 1969.8553 107.2924 -205706.6543 17515.6600 0.0000 0.0000 34456.3712 -148819.8752 300.9161 -183276.2464 -148724.9613 300.3995 -52.8719 -23.5384 557800.1763 4.7963 4.9768 PRESSURE: 3001800 22.9804 100.222 221.721 100.221 97.0822 265.939 221.721 265.939 189.704 GPRESSURE: 3001800 87.866 53.1898 125.605 94.4682 121.365 202.986 258.183 249.447 217.152 PRESSAVG: 3001800 58.9991 55.7312 -19.7289 55.7312 -6.97301 33.9773 -19.7288 33.9773 -44.1923 GPRESSAVG: 3001800 59.6942 55.3349 -19.6662 53.994 -7.55678 32.329 -19.877 35.3782 -44.3961 TIMING: 3001800 CPU: 8699.89, 0.00288319/step Wall: 8699.89, 0.00288319/step, 1.60033 hours remaining, 209.468750 MB of memory in use. ENERGY: 3001800 758.2335 2084.6122 1945.9633 101.0128 -206140.7918 17927.2447 0.0000 0.0000 34433.5099 -148890.2154 300.7164 -183323.7252 -148799.7900 300.3369 103.2557 142.1278 556066.6837 2.6113 2.5805 PRESSURE: 3002000 192.444 -102.86 -86.3305 -102.859 -185.071 -8.46112 -86.3287 -8.46113 -126.649 GPRESSURE: 3002000 260.759 -157.53 -12.402 -90.7346 -163.397 -38.5546 -67.3309 37.585 -114.852 PRESSAVG: 3002000 59.5738 -10.1946 -42.1721 -10.1946 -25.4486 29.9915 -42.172 29.9914 -61.9841 GPRESSAVG: 3002000 58.9524 -10.2187 -42.272 -9.54658 -23.9032 29.2574 -39.8286 30.3152 -63.1898 TIMING: 3002000 CPU: 8700.47, 0.00289723/step Wall: 8700.47, 0.00289723/step, 1.60796 hours remaining, 209.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3002000 779.3797 2077.7209 1987.7659 111.5545 -206128.1443 17803.1287 0.0000 0.0000 34276.1663 -149092.4282 299.3423 -183368.5945 -149001.7414 299.3430 -39.7588 -5.8299 556756.4938 -9.2863 -9.3802 PRESSURE: 3002200 -144.654 183.688 87.6475 183.688 -104.676 126.915 87.6483 126.916 -190.492 GPRESSURE: 3002200 -113.974 163.808 3.9132 224.649 -39.5068 22.2705 173.898 186.489 -182.904 PRESSAVG: 3002200 -51.4434 70.7697 55.8899 70.7698 74.7666 29.5525 55.8899 29.5523 -25.1629 GPRESSAVG: 3002200 -51.0798 69.4362 55.1677 74.731 73.6707 28.8217 56.6349 31.4283 -24.713 TIMING: 3002200 CPU: 8701.05, 0.00289971/step Wall: 8701.05, 0.00289971/step, 1.60918 hours remaining, 209.468750 MB of memory in use. ENERGY: 3002200 756.3879 2082.9145 1926.2540 101.6796 -205692.0527 17515.7502 0.0000 0.0000 34133.4470 -149175.6195 298.0959 -183309.0665 -149073.0866 299.2138 -146.6074 -112.1284 557870.5863 -0.6133 -0.7074 PRESSURE: 3002400 172.394 -18.1651 64.3382 -18.1665 -13.6417 132.931 64.3383 132.931 -52.2601 GPRESSURE: 3002400 220.228 -67.5614 35.4024 -3.71666 -0.93296 95.5937 75.8022 138.99 -22.386 PRESSAVG: 3002400 12.3539 100.671 16.2878 100.671 3.79085 17.6645 16.2879 17.6645 -13.7808 GPRESSAVG: 3002400 12.3378 100.85 16.0088 97.2446 3.68923 18.0402 16.9511 14.6419 -13.5771 TIMING: 3002400 CPU: 8701.63, 0.00290708/step Wall: 8701.63, 0.00290708/step, 1.61311 hours remaining, 209.468750 MB of memory in use. ENERGY: 3002400 714.7640 2082.0693 1961.3337 118.8727 -206131.5773 17780.0181 0.0000 0.0000 34209.3035 -149265.2160 298.7584 -183474.5195 -149168.3081 299.2658 35.4976 65.6362 557770.9907 0.7880 0.8167 PRESSURE: 3002600 68.0628 46.1281 -53.3716 46.1288 14.786 -66.5508 -53.3715 -66.5515 -75.2495 GPRESSURE: 3002600 151.058 -3.30646 69.7429 34.6435 65.4265 -5.43463 -50.6323 -63.0009 -120.469 PRESSAVG: 3002600 51.53 33.2027 1.68367 33.2027 53.5558 52.8141 1.68353 52.814 -57.3917 GPRESSAVG: 3002600 51.7335 34.3068 2.07264 32.5359 54.3436 54.0249 1.63222 53.7126 -58.1188 TIMING: 3002600 CPU: 8702.21, 0.00290973/step Wall: 8702.21, 0.00290973/step, 1.61441 hours remaining, 209.468750 MB of memory in use. ENERGY: 3002600 746.2526 2107.8449 1976.0817 120.3704 -206158.9639 17740.3314 0.0000 0.0000 34296.3580 -149171.7249 299.5186 -183468.0829 -149081.2518 299.4670 2.5331 32.0051 556659.9035 15.8980 15.9861 PRESSURE: 3002800 -201.166 -75.8515 -190.537 -75.8514 291.107 -88.7036 -190.537 -88.7037 205.4 GPRESSURE: 3002800 -152.229 -75.7422 -259.517 -166.942 344.861 -181.242 -105.779 -55.4426 207.254 PRESSAVG: 3002800 24.7377 37.7102 -7.69654 37.7101 -44.5659 -40.5757 -7.69652 -40.5757 2.73759 GPRESSAVG: 3002800 24.6662 36.7837 -5.91296 39.1188 -44.5078 -40.9008 -8.80003 -42.2492 2.27401 TIMING: 3002800 CPU: 8702.8, 0.00291267/step Wall: 8702.8, 0.00291267/step, 1.61589 hours remaining, 209.468750 MB of memory in use. ENERGY: 3002800 736.7095 2060.5090 1938.0085 104.1759 -206259.5011 17980.8517 0.0000 0.0000 34180.4332 -149258.8132 298.5062 -183439.2465 -149164.4299 298.9661 98.4470 133.2954 557728.6421 -5.6969 -5.8559 PRESSURE: 3003000 48.9681 -125.026 102.59 -125.025 -208.402 -52.4123 102.589 -52.4123 -309.247 GPRESSURE: 3003000 41.2024 -110.167 80.958 -167.189 -198.472 -25.9593 115.83 -66.178 -228.433 PRESSAVG: 3003000 4.12481 -27.1608 -45.0168 -27.1608 24.2097 -31.7617 -45.0167 -31.7615 11.7393 GPRESSAVG: 3003000 3.64179 -25.9361 -46.3758 -28.6405 24.307 -32.3772 -45.5604 -29.9511 11.4927 TIMING: 3003000 CPU: 8703.37, 0.00289283/step Wall: 8703.37, 0.00289283/step, 1.60472 hours remaining, 209.468750 MB of memory in use. ENERGY: 3003000 747.2630 2072.3818 1965.1292 117.8487 -206028.0380 17663.6531 0.0000 0.0000 34204.3876 -149257.3746 298.7154 -183461.7623 -149156.2854 298.4064 -156.2269 -128.5674 558974.5004 13.3579 13.1472 PRESSURE: 3003200 70.7084 60.0386 32.7598 60.0389 -112.84 -43.2805 32.7598 -43.2804 -82.9222 GPRESSURE: 3003200 96.3809 64.7228 109.705 42.523 -94.79 -54.3666 23.6084 -13.0575 -26.2321 PRESSAVG: 3003200 33.5788 3.50736 58.673 3.5074 -44.0881 -0.900149 58.6729 -0.900106 13.132 GPRESSAVG: 3003200 34.0875 3.29444 58.7977 5.27646 -45.3162 -1.63478 58.9999 0.0519941 14.2883 TIMING: 3003200 CPU: 8703.95, 0.00287074/step Wall: 8703.95, 0.00287074/step, 1.5923 hours remaining, 209.468750 MB of memory in use. ENERGY: 3003200 715.9464 2083.4779 1964.2863 116.6216 -206582.2316 17925.5159 0.0000 0.0000 34577.1412 -149199.2424 301.9708 -183776.3836 -149116.7207 300.0498 -41.6845 -8.2137 557825.0080 0.8743 1.0199 PRESSURE: 3003400 43.2167 29.2863 -9.25332 29.2855 61.7117 -72.2016 -9.25309 -72.201 69.3283 GPRESSURE: 3003400 115.094 -3.60109 33.1594 111.128 114.235 3.96961 -59.7747 -69.1057 48.4689 PRESSAVG: 3003400 33.8362 -2.2689 13.2408 -2.26893 30.917 -44.4262 13.2409 -44.4262 -45.3562 GPRESSAVG: 3003400 32.61 -2.5032 13.5135 -2.00118 32.3514 -43.5412 14.7965 -43.5691 -45.4749 TIMING: 3003400 CPU: 8704.53, 0.00288937/step Wall: 8704.53, 0.00288937/step, 1.60248 hours remaining, 209.468750 MB of memory in use. ENERGY: 3003400 769.3232 2115.1015 1977.3387 103.3925 -206516.9016 18120.4173 0.0000 0.0000 34152.6942 -149278.6342 298.2640 -183431.3284 -149180.1858 300.2228 58.0856 92.5993 558291.9309 6.4657 6.4955 PRESSURE: 3003600 -54.3133 82.0863 302.582 82.0872 203.605 62.8161 302.581 62.8175 -100.11 GPRESSURE: 3003600 1.55615 64.0347 266.788 41.2632 220.227 99.644 286.736 43.9408 -79.2363 PRESSAVG: 3003600 -86.2653 -7.85951 39.25 -7.8596 11.278 0.0906177 39.25 0.0904548 38.6981 GPRESSAVG: 3003600 -85.7218 -7.27954 37.8636 -9.5436 11.4604 1.11823 38.8738 -1.50045 37.943 TIMING: 3003600 CPU: 8705.1, 0.00288756/step Wall: 8705.1, 0.00288756/step, 1.60131 hours remaining, 209.468750 MB of memory in use. ENERGY: 3003600 763.1830 2033.4905 1987.6689 112.7537 -206304.5450 17864.0449 0.0000 0.0000 34273.6661 -149269.7380 299.3205 -183543.4041 -149167.1394 298.5108 16.3939 47.5158 556593.6487 -12.0964 -12.1061 PRESSURE: 3003800 -69.5244 61.3733 30.0726 61.3747 255.691 5.58885 30.0721 5.58782 -144.95 GPRESSURE: 3003800 -50.9943 115.445 28.6649 31.5348 346.239 2.72525 71.818 -64.5796 -135.917 PRESSAVG: 3003800 7.33224 -20.5925 22.3344 -20.5926 -31.8455 45.927 22.3344 45.9271 -8.83909 GPRESSAVG: 3003800 8.66076 -19.5906 23.7385 -21.4833 -32.0454 45.0385 21.6245 45.458 -9.63701 TIMING: 3003800 CPU: 8705.68, 0.00288063/step Wall: 8705.68, 0.00288063/step, 1.59731 hours remaining, 209.468750 MB of memory in use. ENERGY: 3003800 703.9934 2051.2877 1967.8288 111.8491 -206125.8632 17782.3211 0.0000 0.0000 34245.6459 -149262.9372 299.0757 -183508.5831 -149167.6669 298.8420 13.7388 53.1094 558298.1055 -11.1174 -11.0072 PRESSURE: 3004000 112.493 183.749 31.5027 183.749 38.5385 -3.28198 31.5045 -3.2811 231.187 GPRESSURE: 3004000 183.776 141.462 29.1824 236.596 72.3176 -13.6705 82.0293 -27.3265 225.853 PRESSAVG: 3004000 -21.6344 48.9806 -5.79332 48.9806 -21.5169 -14.8634 -5.79333 -14.8633 28.1777 GPRESSAVG: 3004000 -22.8036 49.0029 -4.614 48.352 -22.1702 -16.8603 -4.78282 -13.2339 29.359 TIMING: 3004000 CPU: 8706.26, 0.00288175/step Wall: 8706.26, 0.00288175/step, 1.59777 hours remaining, 209.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3004000 743.1312 2057.9383 1944.0929 118.5135 -206370.8946 17928.0129 0.0000 0.0000 34353.6203 -149225.5855 300.0187 -183579.2058 -149135.5835 299.5458 127.4063 160.6491 557249.5499 -4.9912 -5.2049 PRESSURE: 3004200 -314.387 22.9278 76.7446 22.9279 -376.661 8.03006 76.7442 8.02964 -461.135 GPRESSURE: 3004200 -268.299 -51.7538 124.363 75.849 -357.796 -56.6985 31.2207 -64.7833 -419.046 PRESSAVG: 3004200 48.4182 50.9452 46.4654 50.9453 -10.1822 -22.5094 46.4653 -22.5095 -29.436 GPRESSAVG: 3004200 48.6664 48.5156 43.9172 52.7012 -10.332 -19.8878 45.1363 -24.9415 -29.1814 TIMING: 3004200 CPU: 8706.83, 0.00287716/step Wall: 8706.83, 0.00287716/step, 1.59506 hours remaining, 209.468750 MB of memory in use. ENERGY: 3004200 755.4087 2095.1985 1922.4058 97.8852 -205803.0674 17361.7239 0.0000 0.0000 34336.3295 -149234.1159 299.8677 -183570.4454 -149137.8502 299.6912 -384.0607 -348.3804 558152.8033 2.9333 3.0510 LDB: ============= START OF LOAD BALANCING ============== 8710.21 LDB: ============== END OF LOAD BALANCING =============== 8710.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8710.22 LDB: ============= START OF LOAD BALANCING ============== 8710.51 LDB: Largest compute 4800 load 0.025158 is 21.3% of average load 0.117995 LDB: Average compute 0.001746 is 1.5% of average load 0.117995 LDB: TIME 8710.51 LOAD: AVG 0.117995 MAX 0.180529 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.523 MB LDB: TIME 8710.51 LOAD: AVG 0.117995 MAX 0.180529 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.594 MB LDB: TIME 8710.51 LOAD: AVG 0.117995 MAX 0.180529 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8710.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8710.51 PRESSURE: 3004400 189.092 -176.674 31.5705 -176.672 77.1456 -103.01 31.5694 -103.01 -56.441 GPRESSURE: 3004400 214.566 -155.472 52.3862 -109.129 92.4117 -138.347 66.2155 -85.2336 21.0038 PRESSAVG: 3004400 70.7811 -1.56905 35.9114 -1.56898 -9.19666 -3.19052 35.9113 -3.19048 -77.3557 GPRESSAVG: 3004400 72.1178 0.0743748 38.5464 -2.62755 -9.77922 -3.42216 35.4733 -1.15643 -78.1547 TIMING: 3004400 CPU: 8707.42, 0.0029344/step Wall: 8707.42, 0.0029344/step, 1.62663 hours remaining, 210.042969 MB of memory in use. ENERGY: 3004400 716.8125 2103.8624 1950.1987 96.4018 -206369.3608 17898.5184 0.0000 0.0000 34344.6347 -149258.9323 299.9402 -183603.5670 -149168.1549 299.1664 69.9323 109.3272 556597.7964 -5.2571 -5.2720 PRESSURE: 3004600 149.272 8.20457 137.844 8.20411 11.2012 -16.2865 137.843 -16.2864 129.682 GPRESSURE: 3004600 152.276 47.816 135.376 -113.101 81.3153 -87.3066 98.0465 74.9444 161.876 PRESSAVG: 3004600 4.6428 -47.1992 22.1928 -47.1992 19.4581 -30.6217 22.1928 -30.6217 -11.8215 GPRESSAVG: 3004600 3.54389 -46.9287 21.4052 -47.0357 20.6499 -32.8621 21.1215 -29.5806 -12.0317 TIMING: 3004600 CPU: 8708, 0.00288968/step Wall: 8708, 0.00288968/step, 1.60169 hours remaining, 210.042969 MB of memory in use. ENERGY: 3004600 730.2087 2105.7558 1940.6411 122.1733 -206556.1942 18110.0286 0.0000 0.0000 34083.9157 -149463.4708 297.6633 -183547.3866 -149367.0399 298.7404 96.7186 131.8224 557544.1080 4.0931 4.0540 PRESSURE: 3004800 230.544 -82.1511 -86.6296 -82.1512 194.209 88.1003 -86.631 88.1003 7.1446 GPRESSURE: 3004800 248.478 -37.0428 33.5414 -57.518 262.915 63.5635 -50.6583 101.845 7.64921 PRESSAVG: 3004800 -14.8836 -41.1487 16.4486 -41.1488 9.89678 -59.9571 16.4485 -59.9572 -36.3098 GPRESSAVG: 3004800 -14.9722 -42.1473 16.8709 -38.8602 9.58206 -57.4056 16.3894 -60.8923 -36.6292 TIMING: 3004800 CPU: 8708.57, 0.00288845/step Wall: 8708.57, 0.00288845/step, 1.60084 hours remaining, 210.042969 MB of memory in use. ENERGY: 3004800 752.9501 2130.4943 1931.2734 112.0671 -206356.8148 17981.5701 0.0000 0.0000 34116.3815 -149332.0782 297.9468 -183448.4597 -149236.8268 298.4097 143.9659 173.0137 555536.3379 -13.7655 -14.0064 PRESSURE: 3005000 56.155 -187.029 -5.14123 -187.029 47.2688 40.88 -5.14235 40.8794 23.0504 GPRESSURE: 3005000 59.4797 -153.845 77.7276 -173.168 120.422 -24.2026 32.9975 1.72427 28.4291 PRESSAVG: 3005000 34.1062 -49.7098 -7.15587 -49.7097 19.0882 4.29215 -7.15587 4.29219 -29.3615 GPRESSAVG: 3005000 33.9585 -49.087 -8.49693 -52.2257 18.7852 2.77823 -5.86962 5.28762 -28.8582 TIMING: 3005000 CPU: 8709.15, 0.002887/step Wall: 8709.15, 0.002887/step, 1.59988 hours remaining, 210.042969 MB of memory in use. ENERGY: 3005000 744.9240 2151.9974 1963.7191 121.4407 -206069.3895 17766.5585 0.0000 0.0000 34113.6488 -149207.1010 297.9230 -183320.7498 -149105.8835 299.3400 42.1581 69.4437 556624.9846 7.9443 7.9618 PRESSURE: 3005200 -352.531 -50.3488 -105.049 -50.3476 106.842 -115.258 -105.049 -115.258 -66.4399 GPRESSURE: 3005200 -274.401 8.05519 -109.611 -85.4176 129.104 -155.513 -78.8643 -38.7776 -66.4649 PRESSAVG: 3005200 -13.4842 -49.9915 11.7046 -49.9915 23.6337 41.2 11.7047 41.2 -17.691 GPRESSAVG: 3005200 -12.6291 -51.0793 10.5382 -49.9571 22.914 41.8493 12.0689 38.6492 -17.5141 TIMING: 3005200 CPU: 8709.74, 0.00291653/step Wall: 8709.74, 0.00291653/step, 1.61608 hours remaining, 210.042969 MB of memory in use. ENERGY: 3005200 764.9475 2075.8922 1980.0784 118.4774 -206194.2154 17746.1010 0.0000 0.0000 34318.5546 -149190.1644 299.7125 -183508.7190 -149084.1729 299.0843 -104.0432 -70.5876 556907.8228 -2.5138 -2.4097 PRESSURE: 3005400 28.5923 -16.3436 123.401 -16.343 -19.4076 -43.6407 123.403 -43.6423 -389.54 GPRESSURE: 3005400 19.4303 -75.5597 45.1573 71.9771 23.3945 -128.308 114.197 63.8512 -331.671 PRESSAVG: 3005400 -46.0591 -42.0511 11.5487 -42.0511 28.5126 -12.4678 11.5485 -12.4677 26.4423 GPRESSAVG: 3005400 -45.8491 -41.6643 10.7813 -41.3708 28.6171 -12.8303 12.3027 -10.7122 26.0252 TIMING: 3005400 CPU: 8710.32, 0.00291229/step Wall: 8710.32, 0.00291229/step, 1.61357 hours remaining, 210.042969 MB of memory in use. ENERGY: 3005400 738.2449 2088.1851 1976.5638 113.4597 -206058.8949 17591.0752 0.0000 0.0000 34428.8083 -149122.5580 300.6753 -183551.3663 -149025.2734 300.2806 -126.7850 -96.2822 556461.5912 2.9653 2.9311 PRESSURE: 3005600 11.2275 -6.30322 122.154 -6.30172 14.1448 67.5505 122.155 67.5506 60.8327 GPRESSURE: 3005600 42.0218 67.2736 134.572 -75.6822 29.0631 106.458 69.2995 100.129 111.623 PRESSAVG: 3005600 90.7508 -16.3715 3.3058 -16.3716 -62.3687 25.2494 3.30567 25.2494 4.84507 GPRESSAVG: 3005600 89.4556 -16.5179 5.03175 -16.814 -61.5259 25.2916 -0.219903 26.0689 5.55308 TIMING: 3005600 CPU: 8710.9, 0.00289368/step Wall: 8710.9, 0.00289368/step, 1.6031 hours remaining, 210.042969 MB of memory in use. ENERGY: 3005600 755.9395 2135.8883 1934.0181 102.6955 -205936.9137 17711.1260 0.0000 0.0000 34369.7714 -148927.4749 300.1598 -183297.2463 -148835.4705 300.0350 28.7350 60.9028 556916.6593 11.0757 11.1609 PRESSURE: 3005800 -126.171 5.1707 79.6831 5.17102 -265.457 4.07803 79.6833 4.08023 -74.0662 GPRESSURE: 3005800 -126.794 25.1219 13.7682 -47.5186 -211.679 19.8579 -11.3576 -29.2191 -29.2875 PRESSAVG: 3005800 8.38927 -21.0959 13.5899 -21.0959 8.18975 40.3604 13.5898 40.3603 17.1715 GPRESSAVG: 3005800 9.16145 -20.2655 13.032 -22.1134 8.03263 41.7339 15.038 38.5164 16.807 TIMING: 3005800 CPU: 8711.47, 0.00286977/step Wall: 8711.47, 0.00286977/step, 1.58969 hours remaining, 210.042969 MB of memory in use. ENERGY: 3005800 776.6392 2096.9064 1975.5740 102.9968 -205990.9388 17635.2684 0.0000 0.0000 34343.7560 -149059.7980 299.9326 -183403.5540 -148963.4532 299.7534 -155.2316 -122.5866 556055.3471 11.2502 11.3337 PRESSURE: 3006000 -273.212 -161.21 97.1596 -161.209 62.311 92.5335 97.1606 92.533 -49.1113 GPRESSURE: 3006000 -251.736 -159.545 43.156 -132.193 164.766 47.5904 89.7638 172.581 -70.4824 PRESSAVG: 3006000 9.35473 -11.8687 36.9333 -11.8688 -57.9568 34.6694 36.9333 34.6692 5.23033 GPRESSAVG: 3006000 10.0554 -13.2259 37.317 -9.99932 -56.9557 34.3961 36.2073 35.2025 3.49071 TIMING: 3006000 CPU: 8712.05, 0.00289591/step Wall: 8712.05, 0.00289591/step, 1.60401 hours remaining, 210.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3006000 760.1365 2068.0930 1960.3985 110.2142 -205956.3012 17635.2428 0.0000 0.0000 34388.5924 -149033.6239 300.3241 -183422.2163 -148941.5192 299.7766 -86.6708 -52.4839 557194.1224 -14.4573 -14.4698 PRESSURE: 3006200 -121.955 -9.98263 44.8256 -9.9846 -65.4549 115.043 44.826 115.042 -136.329 GPRESSURE: 3006200 -59.3426 44.5016 179.663 -42.6306 -24.0262 163.29 35.1024 32.4903 -145.552 PRESSAVG: 3006200 32.7346 17.753 47.6246 17.753 -29.7405 -12.1294 47.6245 -12.1294 -19.182 GPRESSAVG: 3006200 31.7727 17.105 47.5666 17.2367 -30.946 -11.5853 46.535 -11.6809 -16.7436 TIMING: 3006200 CPU: 8712.63, 0.00289128/step Wall: 8712.63, 0.00289128/step, 1.60129 hours remaining, 210.105469 MB of memory in use. ENERGY: 3006200 756.2941 2111.3874 1980.8000 110.5199 -205891.9824 17587.5040 0.0000 0.0000 34296.9947 -149048.4824 299.5242 -183345.4771 -148959.6344 299.5146 -107.9128 -76.3070 556837.1576 -5.3959 -5.3056 PRESSURE: 3006400 -176.739 78.1225 -41.9576 78.1211 -89.6494 -191.291 -41.9564 -191.289 -3.1138 GPRESSURE: 3006400 -140.755 80.4187 -21.5898 67.7239 -111.381 -102.808 -40.4721 -262.723 86.7666 PRESSAVG: 3006400 0.546284 42.2595 -2.85727 42.2594 79.2371 -4.20224 -2.85734 -4.2023 -44.5688 GPRESSAVG: 3006400 1.916 44.3848 -1.66009 42.1547 77.8933 -4.49102 -1.66461 -3.60993 -44.0682 TIMING: 3006400 CPU: 8713.21, 0.00289643/step Wall: 8713.21, 0.00289643/step, 1.60398 hours remaining, 210.105469 MB of memory in use. ENERGY: 3006400 768.2012 2117.1075 1967.1773 104.1557 -205939.8536 17667.8379 0.0000 0.0000 34235.4311 -149079.9429 298.9865 -183315.3740 -148982.6656 300.4418 -89.8342 -55.1233 557337.7360 11.7382 11.9137 PRESSURE: 3006600 172.798 98.0471 148.641 98.0477 32.9383 97.8992 148.642 97.8994 126.414 GPRESSURE: 3006600 237.4 144.611 41.6635 74.2015 49.4968 115.356 174.027 110.651 154.617 PRESSAVG: 3006600 31.9104 -28.6065 -0.416768 -28.6066 -0.675913 19.6794 -0.416808 19.6795 -47.2572 GPRESSAVG: 3006600 31.7476 -25.9722 -2.6955 -29.4201 0.140027 21.4255 1.06691 18.4177 -47.7586 TIMING: 3006600 CPU: 8713.79, 0.00290785/step Wall: 8713.79, 0.00290785/step, 1.61014 hours remaining, 210.105469 MB of memory in use. ENERGY: 3006600 753.7544 2117.1956 1943.0095 114.4688 -206583.5885 17989.8629 0.0000 0.0000 34358.8280 -149306.4693 300.0642 -183665.2973 -149207.0207 300.1791 110.7168 147.1709 558653.7340 -5.3409 -5.2903 PRESSURE: 3006800 -203.954 -13.0385 -199.217 -13.0377 -191.991 109.09 -199.218 109.09 -0.113147 GPRESSURE: 3006800 -69.1707 -10.4858 -125.794 -44.7473 -223.729 48.8258 -265.061 152.805 3.26913 PRESSAVG: 3006800 64.2072 -75.2018 -16.9402 -75.2018 -31.2032 -10.1436 -16.9403 -10.1437 -52.5771 GPRESSAVG: 3006800 63.8015 -79.7448 -17.1548 -74.5131 -31.7962 -12.6913 -17.65 -8.59657 -51.6136 TIMING: 3006800 CPU: 8714.37, 0.00288467/step Wall: 8714.37, 0.00288467/step, 1.59714 hours remaining, 210.105469 MB of memory in use. ENERGY: 3006800 793.8416 2130.1150 1945.2036 104.2871 -206237.9888 17726.9004 0.0000 0.0000 34175.1338 -149362.5072 298.4599 -183537.6411 -149266.3180 299.1299 -132.0196 -96.5435 559532.2340 -6.5244 -6.5361 PRESSURE: 3007000 176.102 -25.1502 115.768 -25.1513 -124.536 -96.5912 115.769 -96.5911 49.0028 GPRESSURE: 3007000 226.369 -93.3297 107.017 40.8712 -20.9569 -47.5662 102.951 -77.1788 -8.3968 PRESSAVG: 3007000 61.102 -26.1403 -26.1408 -26.1403 -30.5708 34.7751 -26.141 34.7752 -54.9835 GPRESSAVG: 3007000 61.6823 -25.2169 -25.3236 -27.5247 -29.4109 34.9419 -25.6083 32.4449 -56.2195 TIMING: 3007000 CPU: 8714.95, 0.00290198/step Wall: 8714.95, 0.00290198/step, 1.60657 hours remaining, 210.105469 MB of memory in use. ENERGY: 3007000 755.9030 2071.8298 1942.6812 112.0844 -206727.1804 17989.9288 0.0000 0.0000 34180.7475 -149674.0057 298.5090 -183854.7532 -149582.4893 298.7511 33.5232 65.6718 557401.2099 -8.1508 -7.9827 PRESSURE: 3007200 107.093 96.7586 -100.924 96.7588 208.754 58.7376 -100.923 58.738 173.494 GPRESSURE: 3007200 200.541 109.266 -109.03 141.232 216.836 182.794 -153.784 13.9374 174.242 PRESSAVG: 3007200 18.1344 -9.48128 -19.7032 -9.48128 -17.5714 19.7068 -19.7032 19.7067 -42.2598 GPRESSAVG: 3007200 18.4504 -6.8015 -18.643 -9.55844 -17.5795 21.4778 -22.516 20.005 -42.1785 TIMING: 3007200 CPU: 8715.52, 0.00288415/step Wall: 8715.52, 0.00288415/step, 1.59654 hours remaining, 210.105469 MB of memory in use. ENERGY: 3007200 751.6139 2112.4085 1938.9703 108.8306 -207026.6763 18174.6754 0.0000 0.0000 34335.0975 -149605.0800 299.8569 -183940.1775 -149507.2877 298.6561 163.1137 197.2065 556479.1039 -13.8989 -13.7692 PRESSURE: 3007400 -146.932 50.5859 -96.7135 50.5854 -40.5889 76.1604 -96.7119 76.1617 -321.335 GPRESSURE: 3007400 -135.671 73.13 -32.9228 83.7431 -9.37678 69.9041 -112.185 113.779 -270.379 PRESSAVG: 3007400 0.792545 15.6853 4.20476 15.6854 15.4753 17.0069 4.20467 17.0068 36.3366 GPRESSAVG: 3007400 0.0171689 11.5843 2.59999 18.6808 14.8845 15.7744 5.07726 17.3388 37.3789 TIMING: 3007400 CPU: 8716.1, 0.00287847/step Wall: 8716.1, 0.00287847/step, 1.59323 hours remaining, 210.105469 MB of memory in use. ENERGY: 3007400 740.7026 2157.0077 1950.7841 119.1033 -206456.3774 17690.2534 0.0000 0.0000 34343.2738 -149455.2524 299.9284 -183798.5262 -149359.2189 298.9083 -169.6188 -138.4756 558094.3814 17.5348 17.4269 PRESSURE: 3007600 184.409 -6.1295 -4.9306 -6.129 172.952 63.8929 -4.9325 63.8927 -226.984 GPRESSURE: 3007600 202.389 65.1076 90.9139 -8.51603 272.127 18.7346 21.2316 115.116 -241.321 PRESSAVG: 3007600 -49.7496 -26.5793 -19.7146 -26.5793 58.8838 16.823 -19.7145 16.823 -23.5919 GPRESSAVG: 3007600 -50.8793 -24.1205 -19.6752 -27.8746 59.7035 16.5828 -18.7218 17.1708 -23.5615 TIMING: 3007600 CPU: 8716.67, 0.00286867/step Wall: 8716.67, 0.00286867/step, 1.58765 hours remaining, 210.105469 MB of memory in use. ENERGY: 3007600 750.0951 2050.2028 1951.1022 119.6763 -206730.9118 17873.9907 0.0000 0.0000 34526.1581 -149459.6866 301.5255 -183985.8447 -149355.0476 298.7936 43.4590 77.7317 556997.9928 -4.8193 -4.9125 PRESSURE: 3007800 -239.248 96.531 -35.3812 96.5291 -94.5723 75.2358 -35.3794 75.2356 -262.23 GPRESSURE: 3007800 -176.866 115.194 -131.176 75.8638 -69.5458 56.47 27.0379 94.1358 -254.16 PRESSAVG: 3007800 -9.56661 0.664255 20.7745 0.66419 21.3585 10.8084 20.7745 10.8084 10.9188 GPRESSAVG: 3007800 -9.11505 -0.143184 23.3998 0.696632 21.1568 11.5443 19.6399 11.3411 10.5001 TIMING: 3007800 CPU: 8717.25, 0.00287642/step Wall: 8717.25, 0.00287642/step, 1.59178 hours remaining, 210.105469 MB of memory in use. ENERGY: 3007800 780.1883 2128.3801 1954.7752 124.6195 -206283.3458 17763.1135 0.0000 0.0000 34036.1633 -149496.1058 297.2463 -183532.2692 -149400.0613 299.0943 -198.6834 -166.8574 559251.0154 7.5702 7.5139 PRESSURE: 3008000 -140.042 -46.971 16.9952 -46.9709 67.7925 187.582 16.9957 187.582 123.759 GPRESSURE: 3008000 -93.5183 -59.4719 54.0045 -90.0394 17.9372 147.666 2.97138 280.244 200.154 PRESSAVG: 3008000 4.51949 8.91058 -0.681998 8.91054 -12.2936 33.1 -0.68194 33.1 -18.4664 GPRESSAVG: 3008000 4.99557 9.30136 -3.05264 10.0356 -12.3964 33.4994 -0.372891 33.2146 -18.8412 TIMING: 3008000 CPU: 8717.83, 0.00289009/step Wall: 8717.83, 0.00289009/step, 1.59918 hours remaining, 210.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3008000 729.1558 2115.4331 1965.2894 107.9056 -206667.4864 17913.5748 0.0000 0.0000 34281.0964 -149555.0314 299.3853 -183836.1278 -149454.9735 298.3341 17.1697 41.5243 556941.4913 -8.7468 -8.7473 PRESSURE: 3008200 250.403 94.295 95.861 94.2964 99.1641 57.6592 95.8609 57.6591 -205.866 GPRESSURE: 3008200 261.225 30.3983 49.754 96.2719 125.206 41.6611 118.603 -13.2818 -131.821 PRESSAVG: 3008200 27.6208 6.36559 -56.4957 6.36563 -13.2377 57.6195 -56.4957 57.6196 -20.3828 GPRESSAVG: 3008200 27.3192 6.53253 -56.4205 3.72883 -13.7605 56.9325 -57.7591 56.8623 -19.0549 TIMING: 3008200 CPU: 8718.41, 0.00290426/step Wall: 8718.41, 0.00290426/step, 1.60686 hours remaining, 210.105469 MB of memory in use. ENERGY: 3008200 752.7859 2032.4247 1990.6431 127.1661 -206749.3324 17902.8473 0.0000 0.0000 34272.7760 -149670.6892 299.3127 -183943.4652 -149573.1072 298.5129 47.9004 84.8699 557187.9740 -1.9999 -1.8321 LDB: ============= START OF LOAD BALANCING ============== 8721.8 LDB: ============== END OF LOAD BALANCING =============== 8721.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8721.8 LDB: ============= START OF LOAD BALANCING ============== 8722.09 LDB: Largest compute 4800 load 0.025459 is 21.6% of average load 0.117933 LDB: Average compute 0.001752 is 1.5% of average load 0.117933 LDB: TIME 8722.09 LOAD: AVG 0.117933 MAX 0.179679 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.727 MB LDB: TIME 8722.09 LOAD: AVG 0.117933 MAX 0.179679 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.727 MB LDB: TIME 8722.09 LOAD: AVG 0.117933 MAX 0.179679 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.727 MB LDB: ============== END OF LOAD BALANCING =============== 8722.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8722.1 PRESSURE: 3008400 -119.462 -145.322 14.8433 -145.322 -32.7391 104.503 14.8458 104.506 -219.849 GPRESSURE: 3008400 -67.4679 -102.323 -59.1665 -133.607 -27.5064 156.254 98.0512 96.2112 -176.862 PRESSAVG: 3008400 8.29774 1.34243 -44.3621 1.34242 14.7899 -48.8111 -44.3621 -48.811 -14.3997 GPRESSAVG: 3008400 8.71373 1.11792 -44.4588 2.77715 14.7975 -49.7497 -42.3946 -48.0171 -14.6481 TIMING: 3008400 CPU: 8719, 0.00298732/step Wall: 8719, 0.00298732/step, 1.65265 hours remaining, 210.757812 MB of memory in use. ENERGY: 3008400 732.0503 2126.2028 1939.2518 109.8714 -206658.4529 17758.9975 0.0000 0.0000 34294.9223 -149697.1569 299.5061 -183992.0792 -149598.1530 298.4937 -124.0165 -90.6122 556908.7494 2.8960 2.9544 PRESSURE: 3008600 16.4004 -16.3483 76.6289 -16.348 94.0768 -69.7107 76.6291 -69.7129 38.5005 GPRESSURE: 3008600 63.8549 -1.66954 112.519 34.1706 105.63 -62.8143 57.1161 -60.0746 64.3926 PRESSAVG: 3008600 73.4504 -14.6962 -39.1386 -14.6961 25.2447 -23.681 -39.1387 -23.681 -42.4716 GPRESSAVG: 3008600 73.6216 -12.3131 -41.2274 -15.5371 25.5958 -23.9011 -37.8881 -24.22 -43.2119 TIMING: 3008600 CPU: 8719.59, 0.00291598/step Wall: 8719.59, 0.00291598/step, 1.61302 hours remaining, 210.757812 MB of memory in use. ENERGY: 3008600 752.8787 2121.8532 1948.8128 122.7491 -206642.8289 17891.4892 0.0000 0.0000 34251.3403 -149553.7056 299.1255 -183805.0459 -149460.6761 298.7003 49.6592 77.9592 556685.2457 18.7412 18.6685 PRESSURE: 3008800 -63.0181 -9.3265 -39.063 -9.32776 -230.736 -61.6928 -39.0625 -61.6931 89.7086 GPRESSURE: 3008800 -15.7367 14.803 -37.0995 -57.4234 -185.331 -64.6899 23.2044 -68.3372 89.8571 PRESSAVG: 3008800 32.5176 -24.1008 18.7797 -24.1007 -18.1728 25.0845 18.7798 25.0844 19.9492 GPRESSAVG: 3008800 32.5494 -24.9379 19.6403 -23.6425 -17.6099 26.9365 19.2678 22.8044 19.2333 TIMING: 3008800 CPU: 8720.17, 0.0029055/step Wall: 8720.17, 0.0029055/step, 1.60706 hours remaining, 210.757812 MB of memory in use. ENERGY: 3008800 754.1144 2071.7752 2002.0311 120.7052 -206568.1212 17817.6655 0.0000 0.0000 34196.7692 -149605.0606 298.6489 -183801.8298 -149509.2136 298.7882 -68.0151 -37.0703 557263.8634 11.4313 11.3909 PRESSURE: 3009000 -142.838 -29.29 -106.935 -29.2906 -283.148 124.448 -106.935 124.448 -162.013 GPRESSURE: 3009000 -94.8373 -20.3807 -58.2769 -103.344 -251.381 132.418 -91.7945 42.1279 -141.666 PRESSAVG: 3009000 -46.6925 -18.9803 -11.2296 -18.9803 32.5498 20.94 -11.2296 20.94 -0.16181 GPRESSAVG: 3009000 -46.9641 -18.3226 -10.7027 -19.1479 33.4302 21.4652 -12.6929 22.0696 0.0465534 TIMING: 3009000 CPU: 8720.75, 0.00289349/step Wall: 8720.75, 0.00289349/step, 1.60026 hours remaining, 210.757812 MB of memory in use. ENERGY: 3009000 768.5642 2091.1049 1946.2828 116.0464 -206188.5091 17678.0349 0.0000 0.0000 34050.4132 -149538.0628 297.3707 -183588.4760 -149443.4256 298.7702 -195.9998 -162.6280 557550.1158 -4.7682 -4.4958 PRESSURE: 3009200 -327.776 96.5325 14.1813 96.5325 -286.729 -86.0327 14.1805 -86.034 -172.576 GPRESSURE: 3009200 -266.122 76.9163 -45.3735 38.9816 -259.446 -76.7698 55.0729 -102.974 -167.218 PRESSAVG: 3009200 44.7361 40.5311 28.6405 40.5311 20.3469 -20.9695 28.6406 -20.9696 -44.2981 GPRESSAVG: 3009200 43.5974 38.8789 29.7924 41.261 20.3134 -24.1422 27.7464 -20.0178 -43.2205 TIMING: 3009200 CPU: 8721.33, 0.00290647/step Wall: 8721.33, 0.00290647/step, 1.60728 hours remaining, 210.757812 MB of memory in use. ENERGY: 3009200 736.7517 2094.0849 1972.5248 114.4812 -205810.0256 17398.2221 0.0000 0.0000 34070.8225 -149423.1384 297.5490 -183493.9609 -149326.3099 298.4867 -262.3605 -230.9284 557268.7742 6.9283 6.8968 PRESSURE: 3009400 -86.8265 89.3028 -40.6975 89.3017 -50.626 98.7604 -40.6966 98.7602 -206.078 GPRESSURE: 3009400 8.30956 78.0204 -54.0206 85.9003 -83.5235 96.9623 -7.28759 115.113 -163.844 PRESSAVG: 3009400 -42.828 13.4108 -2.50146 13.4108 -15.8208 0.541062 -2.50147 0.541114 73.1156 GPRESSAVG: 3009400 -41.9431 13.9289 -4.14328 12.841 -16.6075 4.20698 -1.93484 -0.698154 72.8481 TIMING: 3009400 CPU: 8721.9, 0.00287494/step Wall: 8721.9, 0.00287494/step, 1.58968 hours remaining, 210.757812 MB of memory in use. ENERGY: 3009400 702.5974 2122.1804 1969.3086 109.6079 -206236.4638 17666.0015 0.0000 0.0000 34262.2406 -149404.5274 299.2207 -183666.7680 -149308.0810 298.9561 -114.5102 -79.6859 555691.4734 4.8223 4.7658 PRESSURE: 3009600 -1.61861 -6.38091 84.1174 -6.37932 -163.473 131.59 84.1168 131.589 -248.619 GPRESSURE: 3009600 23.5956 -11.5478 3.87561 -52.7298 -151.813 203.126 88.8066 105.192 -186.881 PRESSAVG: 3009600 -8.17132 -12.7422 -2.73281 -12.7422 -16.4336 34.7054 -2.73285 34.7053 5.72923 GPRESSAVG: 3009600 -8.18208 -12.7533 -0.687058 -12.6083 -17.1511 32.9004 -6.86177 35.9797 5.57199 TIMING: 3009600 CPU: 8722.48, 0.00288687/step Wall: 8722.48, 0.00288687/step, 1.59612 hours remaining, 210.757812 MB of memory in use. ENERGY: 3009600 737.5354 2085.5921 1958.8473 118.9265 -205767.0017 17565.6168 0.0000 0.0000 34069.1146 -149231.3690 297.5341 -183300.4836 -149142.2935 299.0198 -137.9035 -105.0329 557160.8494 -6.2919 -6.5871 PRESSURE: 3009800 -44.7732 89.6471 -5.99312 89.6468 -94.1145 145.879 -5.99413 145.88 -325.145 GPRESSURE: 3009800 3.65227 53.1956 47.1732 72.4617 -110.743 233.802 21.2972 25.1921 -257.445 PRESSAVG: 3009800 79.4929 13.1106 33.7413 13.1106 -0.218004 62.2669 33.7412 62.2669 -39.8319 GPRESSAVG: 3009800 78.7274 16.0171 32.3142 11.9313 1.39606 60.7398 36.8919 63.2913 -40.7912 TIMING: 3009800 CPU: 8723.06, 0.00288241/step Wall: 8723.06, 0.00288241/step, 1.59349 hours remaining, 210.757812 MB of memory in use. ENERGY: 3009800 744.7934 2028.9251 1984.4695 110.2716 -206046.7738 17490.8206 0.0000 0.0000 34374.3166 -149313.1771 300.1995 -183687.4937 -149212.9427 299.4188 -154.6777 -121.5120 557243.0459 13.1477 13.1107 PRESSURE: 3010000 -41.353 -22.9603 -124.466 -22.9604 18.1533 129.993 -124.464 129.993 112.021 GPRESSURE: 3010000 -52.5641 -22.1607 -125.542 -68.0525 53.3787 191.031 -116.044 101.928 173.095 PRESSAVG: 3010000 -5.58136 55.2462 -14.1005 55.2462 23.3549 19.0994 -14.1004 19.0994 42.4658 GPRESSAVG: 3010000 -3.96304 52.121 -14.0486 56.0693 21.8215 20.7037 -14.8809 16.7264 42.1083 TIMING: 3010000 CPU: 8723.63, 0.002879/step Wall: 8723.63, 0.002879/step, 1.59145 hours remaining, 210.828125 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: 3010000 709.0652 2051.0826 1950.5734 116.4126 -206237.2348 17858.3733 0.0000 0.0000 34288.3336 -149263.3941 299.4485 -183551.7277 -149164.5846 299.4285 29.6070 57.9698 557201.1342 20.0798 19.9889 PRESSURE: 3010200 -18.5369 -41.7045 -245.324 -41.7035 300.072 -66.075 -245.324 -66.0774 -58.4013 GPRESSURE: 3010200 12.8571 73.4243 -187.475 -112.008 286.236 -40.1527 -246.208 9.15089 15.5597 PRESSAVG: 3010200 -16.8174 -17.0493 -30.3952 -17.0492 14.738 -29.5573 -30.3953 -29.5573 -15.288 GPRESSAVG: 3010200 -18.5723 -17.5565 -32.1486 -16.0182 14.9022 -29.3855 -28.3427 -27.6415 -13.3037 TIMING: 3010200 CPU: 8724.21, 0.00288927/step Wall: 8724.21, 0.00288927/step, 1.59697 hours remaining, 210.828125 MB of memory in use. ENERGY: 3010200 728.0198 2036.5295 1937.2139 122.0341 -206186.0706 17734.5139 0.0000 0.0000 34336.5734 -149291.1860 299.8698 -183627.7593 -149180.6017 299.4168 74.3781 104.8843 555830.5518 -5.7892 -5.6580 PRESSURE: 3010400 -280.869 77.3218 70.3068 77.3217 -257.05 -77.1167 70.3075 -77.1166 -409.418 GPRESSURE: 3010400 -314.716 95.6539 85.1014 117.638 -162.841 -112.449 -2.74367 -62.4906 -377.186 PRESSAVG: 3010400 48.5499 4.61813 -27.7328 4.61808 -39.7589 35.0137 -27.7327 35.0137 30.1112 GPRESSAVG: 3010400 48.7703 4.30512 -24.2245 4.51532 -38.8504 34.5021 -30.7335 33.0988 29.3553 TIMING: 3010400 CPU: 8724.79, 0.0028761/step Wall: 8724.79, 0.0028761/step, 1.58953 hours remaining, 210.828125 MB of memory in use. ENERGY: 3010400 771.7655 2079.0944 1955.0777 113.8741 -205962.4064 17453.9355 0.0000 0.0000 34237.8682 -149350.7909 299.0078 -183588.6591 -149255.1192 299.3449 -315.7792 -284.9144 558275.7635 12.9674 13.0917 PRESSURE: 3010600 -165.576 40.7667 -49.3023 40.7664 -24.1403 -62.6856 -49.3023 -62.6853 109.95 GPRESSURE: 3010600 -120.836 18.9786 31.4136 6.47209 -5.81951 -124.94 -118.434 -18.8094 152.974 PRESSAVG: 3010600 -5.50113 49.9531 23.46 49.9532 44.4237 35.138 23.46 35.1379 -47.6971 GPRESSAVG: 3010600 -5.68434 49.4087 22.8059 50.1559 43.1105 34.3828 23.5279 35.2983 -46.7871 TIMING: 3010600 CPU: 8725.37, 0.00289704/step Wall: 8725.37, 0.00289704/step, 1.60094 hours remaining, 210.828125 MB of memory in use. ENERGY: 3010600 767.7710 2110.4164 1949.2739 97.3455 -206278.5620 17730.5183 0.0000 0.0000 34224.4641 -149398.7728 298.8908 -183623.2368 -149300.1318 299.3383 -26.5889 8.7729 556249.1412 -2.9249 -3.1203 PRESSURE: 3010800 -68.786 115.326 -80.8858 115.327 -86.0771 34.9303 -80.8848 34.9293 -221.561 GPRESSURE: 3010800 -29.0383 170.02 -34.4545 96.3363 -42.9641 15.0763 -139.033 6.28097 -204.227 PRESSAVG: 3010800 -22.6165 32.5945 50.546 32.5945 61.6003 -43.7244 50.546 -43.7244 -52.168 GPRESSAVG: 3010800 -22.8008 32.1724 47.4573 33.8571 62.2314 -42.1353 52.9628 -41.9336 -53.0435 TIMING: 3010800 CPU: 8725.95, 0.00292264/step Wall: 8725.95, 0.00292264/step, 1.61492 hours remaining, 210.828125 MB of memory in use. ENERGY: 3010800 731.0967 2063.3098 1952.3578 126.2519 -205875.0264 17622.0312 0.0000 0.0000 34167.7168 -149212.2623 298.3952 -183379.9791 -149112.8681 299.2688 -125.4747 -92.0766 559495.2110 -4.3947 -4.5376 PRESSURE: 3011000 18.923 -27.3146 -35.4064 -27.3141 -264.369 52.5081 -35.4055 52.5083 -87.5591 GPRESSURE: 3011000 48.6675 -57.1413 30.2604 13.1828 -195.52 121.131 -19.3766 39.4574 -82.8785 PRESSAVG: 3011000 2.0729 -1.57539 0.0795258 -1.57548 9.82308 8.64068 0.079514 8.6406 -6.84059 GPRESSAVG: 3011000 3.57201 -0.562893 2.91386 -1.69015 10.9138 7.8613 -1.38559 6.73871 -9.09629 TIMING: 3011000 CPU: 8726.53, 0.00291696/step Wall: 8726.53, 0.00291696/step, 1.61162 hours remaining, 210.828125 MB of memory in use. ENERGY: 3011000 759.4209 2060.6116 1938.4879 119.6274 -206330.4724 17831.8312 0.0000 0.0000 34323.0539 -149297.4395 299.7518 -183620.4934 -149187.1453 299.1254 -111.0017 -76.5769 558117.9399 1.6851 1.7965 PRESSURE: 3011200 -67.0211 134.466 69.9006 134.467 58.8239 15.131 69.9003 15.1309 -0.474152 GPRESSURE: 3011200 -55.4496 -6.53939 117.277 229.733 111.452 41.6754 35.4547 8.20289 12.3295 PRESSAVG: 3011200 48.9657 23.1711 52.0893 23.1711 -79.8044 -58.4485 52.0892 -58.4486 44.8315 GPRESSAVG: 3011200 49.3431 23.3604 53.4718 22.3642 -81.4382 -58.5902 51.0145 -57.3781 45.8805 TIMING: 3011200 CPU: 8727.12, 0.00293665/step Wall: 8727.12, 0.00293665/step, 1.62234 hours remaining, 210.902344 MB of memory in use. ENERGY: 3011200 748.2168 2085.7981 1945.6527 114.8242 -206137.9333 17841.9572 0.0000 0.0000 34063.2157 -149338.2686 297.4825 -183401.4843 -149243.3144 299.8527 -2.8905 22.7773 558435.7420 4.6643 4.5951 PRESSURE: 3011400 -206.263 1.22447 68.1679 1.22513 -96.7308 -14.7973 68.1672 -14.7965 -513.946 GPRESSURE: 3011400 -146.307 17.0734 10.5598 -73.126 -105.597 -60.6115 98.3461 -53.0277 -471.271 PRESSAVG: 3011400 59.9204 31.4368 18.7578 31.4368 -37.9881 -3.49602 18.7577 -3.49613 -34.8503 GPRESSAVG: 3011400 59.3661 32.2627 16.6934 29.761 -38.1781 -2.8561 20.173 -2.50845 -34.4881 TIMING: 3011400 CPU: 8727.7, 0.00289038/step Wall: 8727.7, 0.00289038/step, 1.59662 hours remaining, 210.902344 MB of memory in use. ENERGY: 3011400 723.2010 2074.4345 1942.8978 117.1077 -206094.7902 17437.0371 0.0000 0.0000 34364.0133 -149436.0988 300.1095 -183800.1120 -149347.4625 298.6803 -272.3132 -241.0585 558026.4681 -4.3060 -4.4334 PRESSURE: 3011600 60.0762 -247.022 18.0007 -247.022 191.705 56.7315 18.001 56.7309 176.33 GPRESSURE: 3011600 87.9097 -212.582 -42.5089 -188.9 216.233 65.3192 45.2153 -4.52365 211.398 PRESSAVG: 3011600 45.1809 -13.8607 8.67604 -13.8608 52.8985 49.0186 8.67596 49.0186 -74.4718 GPRESSAVG: 3011600 46.0684 -15.6415 8.95085 -10.3449 52.524 48.5672 7.64518 50.1146 -75.0229 TIMING: 3011600 CPU: 8728.28, 0.00288329/step Wall: 8728.28, 0.00288329/step, 1.59254 hours remaining, 210.902344 MB of memory in use. ENERGY: 3011600 702.5909 2134.1135 1937.4353 115.3352 -206834.5578 18070.3189 0.0000 0.0000 34395.1575 -149479.6065 300.3815 -183874.7640 -149385.8665 299.4301 142.7037 171.8468 556587.2320 7.8692 7.8565 PRESSURE: 3011800 153.351 -130.142 -196.646 -130.14 -221.268 7.04425 -196.645 7.04314 76.7023 GPRESSURE: 3011800 209.266 -143.374 -197.506 -60.9687 -182.495 22.6412 -189.984 21.409 75.908 PRESSAVG: 3011800 26.9728 18.7657 -11.5806 18.7657 16.3009 22.0759 -11.5806 22.0761 -45.4356 GPRESSAVG: 3011800 25.7509 19.2198 -11.4052 16.4668 16.8204 22.2238 -10.1152 20.598 -44.2135 TIMING: 3011800 CPU: 8728.85, 0.00288307/step Wall: 8728.85, 0.00288307/step, 1.59225 hours remaining, 210.902344 MB of memory in use. ENERGY: 3011800 760.2193 2089.5576 1965.8231 122.6946 -206820.9572 18021.2271 0.0000 0.0000 34291.6480 -149569.7876 299.4775 -183861.4356 -149479.2881 298.9612 2.9287 34.2262 556167.1273 -0.7206 -0.5474 PRESSURE: 3012000 -4.72586 -7.96155 -39.8023 -7.96112 -138.859 54.8673 -39.8015 54.8669 -104.121 GPRESSURE: 3012000 22.3918 -61.5947 18.3976 11.8579 -135.065 29.0611 -86.8767 78.6508 -25.7454 PRESSAVG: 3012000 55.5089 -11.5523 -18.9161 -11.5522 -10.4676 -2.43512 -18.9161 -2.4352 -38.5758 GPRESSAVG: 3012000 56.1852 -12.3337 -20.8541 -10.4902 -9.64915 -3.99997 -19.1574 -0.827274 -40.1667 TIMING: 3012000 CPU: 8729.43, 0.00287555/step Wall: 8729.43, 0.00287555/step, 1.58794 hours remaining, 210.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3012000 700.3509 2090.3112 1942.0930 116.1004 -206221.0204 17501.0778 0.0000 0.0000 34202.5565 -149668.5307 298.6994 -183871.0872 -149567.5620 298.7141 -82.5685 -46.1394 556630.2846 2.1551 2.1231 PRESSURE: 3012200 0.73557 54.4644 -63.7702 54.465 -164.353 -21.3451 -63.7703 -21.3454 -200.804 GPRESSURE: 3012200 19.2978 92.9057 -57.1461 -23.0565 -78.181 58.0812 -6.93697 -52.1458 -218.424 PRESSAVG: 3012200 44.5662 -0.274837 -57.5787 -0.274828 -7.53115 12.3949 -57.5787 12.3948 14.6985 GPRESSAVG: 3012200 43.6017 1.96867 -57.0697 -0.792595 -6.86531 13.0429 -56.6909 10.1117 14.7842 TIMING: 3012200 CPU: 8730.01, 0.0029/step Wall: 8730.01, 0.00289999/step, 1.60128 hours remaining, 210.902344 MB of memory in use. ENERGY: 3012200 751.8933 2076.2196 1952.5166 117.1398 -206234.5279 17696.9075 0.0000 0.0000 34100.9185 -149538.9326 297.8118 -183639.8511 -149443.0845 298.1216 -121.4737 -92.4356 556579.8839 17.2445 17.1735 LDB: ============= START OF LOAD BALANCING ============== 8733.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8733.4 LDB: =============== DONE WITH MIGRATION ================ 8733.4 LDB: ============= START OF LOAD BALANCING ============== 8733.69 LDB: Largest compute 4800 load 0.025252 is 21.4% of average load 0.117990 LDB: Average compute 0.001740 is 1.5% of average load 0.117990 LDB: TIME 8733.69 LOAD: AVG 0.11799 MAX 0.179646 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.758 MB LDB: TIME 8733.69 LOAD: AVG 0.11799 MAX 0.179646 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 8733.7 LOAD: AVG 0.11799 MAX 0.179646 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: ============== END OF LOAD BALANCING =============== 8733.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8733.7 PRESSURE: 3012400 -37.23 62.6261 50.9501 62.6264 -46.8779 98.8051 50.9493 98.8055 -257.32 GPRESSURE: 3012400 -33.9207 86.8622 51.9067 87.2116 5.55177 119.538 95.0842 112.373 -217.73 PRESSAVG: 3012400 56.0851 -3.45927 32.0107 -3.45923 -8.61067 50.5908 32.0108 50.5907 -61.0835 GPRESSAVG: 3012400 56.5338 -4.64597 32.1566 -3.32128 -9.5486 49.2041 30.6629 51.7324 -60.6389 TIMING: 3012400 CPU: 8730.61, 0.00299262/step Wall: 8730.61, 0.00299262/step, 1.65226 hours remaining, 210.347656 MB of memory in use. ENERGY: 3012400 756.5899 2087.3160 1965.9089 101.5610 -206271.2572 17629.4094 0.0000 0.0000 34125.9922 -149604.4799 298.0308 -183730.4720 -149504.2536 298.9003 -113.8093 -82.0330 557013.5087 -4.5364 -4.5512 PRESSURE: 3012600 -86.5109 40.9344 58.9044 40.9333 -144.624 22.6191 58.904 22.6188 126.502 GPRESSURE: 3012600 -30.8035 57.1994 108.68 93.3335 -126.077 61.4671 36.9266 28.6561 139.172 PRESSAVG: 3012600 2.80131 16.8346 -2.55538 16.8345 3.65779 7.47386 -2.55534 7.47383 2.68735 GPRESSAVG: 3012600 3.54746 17.4113 -1.41202 15.1324 3.53607 9.50059 -1.95153 7.1735 2.07005 TIMING: 3012600 CPU: 8731.18, 0.00289658/step Wall: 8731.18, 0.00289658/step, 1.59907 hours remaining, 210.417969 MB of memory in use. ENERGY: 3012600 739.5372 2087.4120 1960.6301 104.8602 -206224.7844 17881.1734 0.0000 0.0000 33869.6495 -149581.5220 295.7921 -183451.1714 -149487.4104 298.3658 -34.8778 -5.9031 557795.3914 3.0488 3.0512 PRESSURE: 3012800 -135.38 14.5995 -52.5413 14.5994 -219.088 34.022 -52.5414 34.0206 81.4678 GPRESSURE: 3012800 -90.7205 -8.90022 -68.1977 73.9106 -197.102 32.519 4.43287 69.8475 107.494 PRESSAVG: 3012800 51.9198 44.2576 -9.58136 44.2576 -79.9217 7.44573 -9.58139 7.44578 50.2588 GPRESSAVG: 3012800 52.1608 42.0301 -9.62002 47.3047 -79.755 5.99442 -10.0762 7.28865 49.8356 TIMING: 3012800 CPU: 8731.76, 0.00289195/step Wall: 8731.76, 0.00289195/step, 1.59636 hours remaining, 210.675781 MB of memory in use. ENERGY: 3012800 736.9804 2091.4704 1964.5120 111.7738 -206314.2671 17785.9058 0.0000 0.0000 34157.4155 -149466.2093 298.3052 -183623.6247 -149363.8265 298.1017 -91.0000 -60.1096 558939.3975 7.4189 7.4138 PRESSURE: 3013000 208.063 45.7835 91.9717 45.7844 -49.0794 97.6596 91.9724 97.6596 216.404 GPRESSURE: 3013000 267.785 81.7953 108.367 -38.9361 -4.33789 147.81 69.7487 68.1866 214.047 PRESSAVG: 3013000 20.3331 27.9751 16.3904 27.9752 -56.8463 8.57526 16.3904 8.57515 20.7163 GPRESSAVG: 3013000 18.9912 29.893 18.7534 26.327 -55.4098 7.38906 12.9459 8.29927 20.6534 TIMING: 3013000 CPU: 8732.34, 0.00286837/step Wall: 8732.34, 0.00286837/step, 1.58318 hours remaining, 210.675781 MB of memory in use. ENERGY: 3013000 700.0064 2112.7245 1949.4703 117.9870 -206230.1696 17970.1294 0.0000 0.0000 34096.3922 -149283.4597 297.7723 -183379.8519 -149190.3980 298.8724 125.1293 159.1645 558402.1488 -5.2657 -5.2551 PRESSURE: 3013200 74.5336 60.3246 144.522 60.3245 -204.518 -96.048 144.521 -96.0466 -178.848 GPRESSURE: 3013200 73.2793 90.9108 147.96 96.8123 -129.318 -42.5303 196.476 -99.918 -155.485 PRESSAVG: 3013200 -24.2877 4.25697 48.7784 4.25708 -4.29529 43.2998 48.7784 43.2999 -21.0154 GPRESSAVG: 3013200 -24.3107 5.28971 45.6957 2.76825 -5.30376 45.5205 51.6158 42.0749 -20.1436 TIMING: 3013200 CPU: 8732.91, 0.00286903/step Wall: 8732.91, 0.00286903/step, 1.58338 hours remaining, 210.675781 MB of memory in use. ENERGY: 3013200 729.2864 2081.0728 1967.5234 116.0612 -205936.2433 17518.5400 0.0000 0.0000 34391.4357 -149132.3238 300.3490 -183523.7595 -149030.7347 299.0390 -102.9443 -70.5081 556792.2101 -16.5328 -16.5860 PRESSURE: 3013400 -10.1836 132.94 53.119 132.941 -13.6542 28.0539 53.1186 28.0561 16.1421 GPRESSURE: 3013400 25.1669 182.466 38.167 53.3029 12.4988 51.0988 36.1065 96.5357 46.7145 PRESSAVG: 3013400 77.8692 -57.1334 -2.91432 -57.1334 -9.21917 25.2096 -2.91423 25.2096 -36.4799 GPRESSAVG: 3013400 78.6264 -58.8006 -3.72266 -56.516 -9.18199 25.1517 -2.51309 25.759 -36.9809 TIMING: 3013400 CPU: 8733.49, 0.0028776/step Wall: 8733.49, 0.0028776/step, 1.58796 hours remaining, 210.675781 MB of memory in use. ENERGY: 3013400 778.5151 2091.7482 1944.4414 107.8830 -206310.9104 17877.9343 0.0000 0.0000 34211.6168 -149298.7716 298.7786 -183510.3884 -149208.3993 298.9673 -2.5652 28.1268 556364.2217 10.7234 10.8212 PRESSURE: 3013600 112.623 142.395 8.68903 142.395 -16.1795 33.4834 8.68911 33.4827 120.522 GPRESSURE: 3013600 116.601 186.84 -5.62034 224.771 52.9989 67.6527 -25.7681 -3.05884 144.033 PRESSAVG: 3013600 20.31 -5.36838 40.5453 -5.36835 -72.3798 65.9151 40.5454 65.9152 67.6082 GPRESSAVG: 3013600 20.0206 -5.96993 43.3796 -4.19214 -72.2993 67.2728 41.0246 65.1825 67.8988 TIMING: 3013600 CPU: 8734.07, 0.00289634/step Wall: 8734.07, 0.00289634/step, 1.59814 hours remaining, 210.675781 MB of memory in use. ENERGY: 3013600 774.9074 2008.5520 1970.0245 112.7279 -206360.5960 17988.3159 0.0000 0.0000 34312.2405 -149193.8279 299.6573 -183506.0684 -149097.4333 299.3608 72.3217 104.5445 556302.6625 5.1794 5.2067 PRESSURE: 3013800 -53.4542 -142.311 21.4945 -142.311 -141.247 55.9122 21.4956 55.9132 52.6983 GPRESSURE: 3013800 69.3363 -153.267 104.67 -186.576 -205.16 149.38 -12.9406 72.887 89.7839 PRESSAVG: 3013800 45.8203 -21.4217 -6.99943 -21.4216 -53.0515 5.68325 -6.9993 5.68326 -47.1259 GPRESSAVG: 3013800 45.2282 -20.9254 -9.9302 -20.9978 -53.821 4.80992 -5.6116 6.81079 -46.0725 TIMING: 3013800 CPU: 8734.64, 0.00289627/step Wall: 8734.64, 0.00289627/step, 1.59793 hours remaining, 210.675781 MB of memory in use. ENERGY: 3013800 728.8384 2092.2788 1945.3043 118.9066 -206116.3911 17707.9063 0.0000 0.0000 34264.9168 -149258.2399 299.2440 -183523.1567 -149158.7378 298.7163 -47.3342 -15.3467 557028.8111 -18.1190 -18.2218 PRESSURE: 3014000 -297.458 -106.169 23.1709 -106.171 -316.069 44.5408 23.1713 44.5407 62.1229 GPRESSURE: 3014000 -264.608 -78.8973 -23.9342 -111.993 -253.171 10.9326 -21.1648 39.5446 58.6189 PRESSAVG: 3014000 -48.9993 -8.64133 -3.0008 -8.64144 33.1388 -34.4133 -3.00071 -34.4132 -8.76297 GPRESSAVG: 3014000 -48.2301 -7.33934 -1.27599 -10.5553 33.3715 -34.5456 -6.38392 -36.2855 -9.64564 TIMING: 3014000 CPU: 8735.22, 0.00288832/step Wall: 8735.22, 0.00288832/step, 1.59339 hours remaining, 210.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3014000 762.4742 2124.5807 1955.5872 115.6143 -205864.0619 17447.6672 0.0000 0.0000 34480.3019 -148977.8365 301.1251 -183458.1384 -148878.6954 299.3840 -183.8015 -153.0533 558152.4530 -8.2078 -8.1681 PRESSURE: 3014200 -15.8081 -54.1227 79.3766 -54.1228 -48.3085 34.171 79.3768 34.1713 -0.843237 GPRESSURE: 3014200 77.9368 -22.9301 151.129 -35.2202 -91.8465 22.5294 102.92 8.94501 42.2789 PRESSAVG: 3014200 27.5361 35.8928 -26.098 35.8927 -0.787895 -16.4385 -26.098 -16.4387 3.19067 GPRESSAVG: 3014200 26.1356 35.6782 -26.7055 35.6387 0.477538 -16.6841 -24.943 -15.0933 3.36661 TIMING: 3014200 CPU: 8735.8, 0.00289854/step Wall: 8735.8, 0.00289854/step, 1.59887 hours remaining, 210.675781 MB of memory in use. ENERGY: 3014200 748.1672 2091.8381 1976.6800 107.4233 -205766.3876 17665.9241 0.0000 0.0000 34073.8736 -149102.4812 297.5756 -183176.3548 -149008.9483 300.0682 -21.6533 9.4564 557508.7180 9.9796 9.9932 PRESSURE: 3014400 95.1846 8.86189 104.151 8.86256 -152.323 -81.5927 104.152 -81.5934 -37.4517 GPRESSURE: 3014400 99.3128 -6.24456 -5.23245 99.5768 -79.5034 -134.704 158.493 -56.9001 -11.265 PRESSAVG: 3014400 2.9125 15.6919 27.6689 15.6918 3.67295 -59.6205 27.6689 -59.6205 -9.86612 GPRESSAVG: 3014400 3.31594 14.9406 27.6248 16.04 3.53508 -57.9167 29.4666 -62.145 -9.93371 TIMING: 3014400 CPU: 8736.38, 0.00288/step Wall: 8736.38, 0.00288/step, 1.58848 hours remaining, 210.675781 MB of memory in use. ENERGY: 3014400 718.6529 2134.1373 1963.5965 114.1061 -205766.3940 17603.9289 0.0000 0.0000 34267.1083 -148964.8639 299.2632 -183231.9721 -148868.3394 299.0749 -31.5300 2.8482 558926.8058 -1.0936 -1.0276 PRESSURE: 3014600 26.6757 -231.563 22.5276 -231.563 -135.149 90.4254 22.5272 90.4257 134.671 GPRESSURE: 3014600 13.7342 -279.105 16.3593 -192.567 -79.3939 78.0382 18.7628 15.1341 188.984 PRESSAVG: 3014600 5.4263 -21.5231 -3.25851 -21.5231 27.795 28.8943 -3.25842 28.8944 -36.5575 GPRESSAVG: 3014600 6.01905 -20.2478 -3.35526 -21.2318 28.0946 26.3526 -3.8164 30.6041 -37.1464 TIMING: 3014600 CPU: 8736.96, 0.00289593/step Wall: 8736.96, 0.00289593/step, 1.59711 hours remaining, 210.675781 MB of memory in use. ENERGY: 3014600 749.4087 2123.2668 1946.2988 116.0651 -206019.9422 17660.2029 0.0000 0.0000 34386.8522 -149037.8478 300.3089 -183424.7000 -148938.5838 300.2088 8.7323 41.1081 558136.5884 -1.1121 -1.0109 PRESSURE: 3014800 390.302 -87.6238 124.348 -87.6244 156.587 -104.216 124.346 -104.213 115.85 GPRESSURE: 3014800 390.378 -86.7043 127.016 -155.696 246.765 -94.824 121.251 -101.679 121.228 PRESSAVG: 3014800 13.5035 -47.2605 32.1314 -47.2605 -37.9493 26.4977 32.1313 26.4977 11.393 GPRESSAVG: 3014800 12.3806 -49.9346 33.1921 -46.5536 -38.6366 27.0996 31.0034 26.2442 12.6408 TIMING: 3014800 CPU: 8737.54, 0.00291999/step Wall: 8737.54, 0.00291999/step, 1.61021 hours remaining, 210.675781 MB of memory in use. ENERGY: 3014800 733.2600 2127.4446 1939.8621 115.2170 -206588.5667 18343.7302 0.0000 0.0000 34130.2895 -149198.7632 298.0683 -183329.0527 -149106.3680 299.2035 220.9128 252.7904 557789.5060 -4.3509 -4.5384 PRESSURE: 3015000 -9.9787 196.659 -191.834 196.658 -136.766 -100 -191.835 -99.9997 64.7725 GPRESSURE: 3015000 -25.5989 138.567 -111.565 167.569 -61.1715 -51.6354 -197.863 -106.301 106.407 PRESSAVG: 3015000 45.5404 9.73309 21.487 9.73311 -9.47591 -19.0453 21.487 -19.0453 -11.7823 GPRESSAVG: 3015000 45.4664 8.64151 22.6124 11.3308 -9.80619 -20.296 21.8291 -19.3087 -12.009 TIMING: 3015000 CPU: 8738.12, 0.00289806/step Wall: 8738.12, 0.00289806/step, 1.59796 hours remaining, 210.675781 MB of memory in use. ENERGY: 3015000 736.7561 2111.6417 1937.1524 120.3977 -205968.2882 17825.3404 0.0000 0.0000 34036.7889 -149200.2109 297.2517 -183236.9999 -149103.6561 299.0740 -27.3240 6.5455 559338.4348 8.0941 7.8838 PRESSURE: 3015200 54.0074 23.0194 -99.9782 23.0182 -37.9968 -13.7184 -99.9771 -13.7185 80.7207 GPRESSURE: 3015200 111.438 15.5891 -177.566 28.9316 -19.9278 -26.2556 -41.3345 10.2839 90.0331 PRESSAVG: 3015200 20.8182 26.7267 -35.825 26.7267 -102.429 43.2079 -35.825 43.2079 103.775 GPRESSAVG: 3015200 20.8962 27.9285 -36.9859 25.0798 -102.472 44.3612 -36.2115 44.153 103.353 TIMING: 3015200 CPU: 8738.7, 0.00289126/step Wall: 8738.7, 0.00289126/step, 1.59405 hours remaining, 210.675781 MB of memory in use. ENERGY: 3015200 764.8480 2098.9849 1964.7640 112.9356 -206718.2095 18153.1635 0.0000 0.0000 34212.4483 -149411.0652 298.7858 -183623.5135 -149321.0531 299.0782 32.2438 60.5144 557501.5911 7.3881 7.2592 PRESSURE: 3015400 -53.9326 144.123 1.11247 144.121 -103.447 -215.73 1.11336 -215.73 59.4544 GPRESSURE: 3015400 -62.2166 143.35 -35.3774 105.234 -50.6268 -157.033 -52.9135 -218.896 112.682 PRESSAVG: 3015400 31.4717 23.6681 3.9988 23.6681 -21.2242 -43.5591 3.99892 -43.5591 -3.70352 GPRESSAVG: 3015400 31.3784 25.6335 2.97834 22.7186 -21.7324 -44.3811 4.27909 -42.8304 -3.22386 TIMING: 3015400 CPU: 8739.27, 0.0028729/step Wall: 8739.27, 0.0028729/step, 1.58376 hours remaining, 210.675781 MB of memory in use. ENERGY: 3015400 760.0699 2061.0410 1967.9659 102.7590 -206279.0998 17740.8413 0.0000 0.0000 34315.4657 -149330.9570 299.6855 -183646.4227 -149236.9923 298.9221 -32.6416 -0.0538 556986.0955 2.1813 2.1407 PRESSURE: 3015600 328.533 1.28808 28.9797 1.28814 247.811 -115.418 28.9799 -115.418 388.331 GPRESSURE: 3015600 377.442 66.6587 63.5041 19.9448 305.669 -64.6089 27.0197 -91.4491 372.227 PRESSAVG: 3015600 -26.6331 29.6312 -20.0448 29.631 17.9157 -41.5073 -20.0449 -41.5072 51.8733 GPRESSAVG: 3015600 -26.5298 29.0384 -18.623 29.4031 17.5235 -41.8337 -19.8771 -43.8307 51.8829 TIMING: 3015600 CPU: 8739.85, 0.00290254/step Wall: 8739.85, 0.00290254/step, 1.59994 hours remaining, 210.675781 MB of memory in use. ENERGY: 3015600 735.4820 2090.7418 1978.0232 120.7951 -206466.1048 18153.7546 0.0000 0.0000 34021.3439 -149365.9642 297.1169 -183387.3081 -149268.5144 298.2272 321.5585 351.7797 554658.7225 14.3853 14.2922 PRESSURE: 3015800 233.054 32.4043 -87.2694 32.4047 -42.0184 -68.2452 -87.2684 -68.2451 288.352 GPRESSURE: 3015800 284.356 -39.754 -131.141 22.8161 5.30422 -73.5815 -13.4378 -54.5133 271.632 PRESSAVG: 3015800 -30.6542 34.0614 -20.4793 34.0615 -34.4373 -45.019 -20.4792 -45.019 60.7332 GPRESSAVG: 3015800 -31.2675 31.8621 -22.4146 34.1298 -34.0318 -43.913 -18.7413 -43.9347 60.6647 TIMING: 3015800 CPU: 8740.43, 0.00288144/step Wall: 8740.43, 0.00288144/step, 1.58815 hours remaining, 210.675781 MB of memory in use. ENERGY: 3015800 741.8377 2109.0023 1952.0602 87.8181 -206870.8684 18258.7536 0.0000 0.0000 34429.2549 -149292.1416 300.6792 -183721.3965 -149199.7076 299.0926 159.7959 187.0977 556995.3734 -1.4528 -1.5449 PRESSURE: 3016000 -16.4474 54.5779 208.757 54.5767 -135.484 -58.0004 208.756 -58.0006 -157.246 GPRESSURE: 3016000 -27.837 114.53 183.485 54.7388 -103.053 -17.2205 266.048 -80.7071 -82.2098 PRESSAVG: 3016000 10.0321 43.1483 24.9738 43.1483 -44.3427 44.2676 24.9738 44.2675 10.9793 GPRESSAVG: 3016000 9.87974 43.5731 24.7848 44.6384 -44.1582 42.0079 22.7932 47.244 11.4892 TIMING: 3016000 CPU: 8741, 0.00286363/step Wall: 8741, 0.00286363/step, 1.57818 hours remaining, 210.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3016000 751.0737 2084.8365 1986.8103 117.4181 -206050.5928 17762.1582 0.0000 0.0000 34253.7431 -149094.5530 299.1465 -183348.2961 -148992.5093 299.1612 -103.0592 -71.0333 558606.6199 -7.7771 -7.5964 PRESSURE: 3016200 23.3357 25.8897 -7.33217 25.889 -359.296 -192.915 -7.33186 -192.914 -33.5388 GPRESSURE: 3016200 7.52149 32.7549 18.7549 76.0449 -285.704 -185.287 -45.9359 -189.55 -11.9711 PRESSAVG: 3016200 40.9163 9.35462 -4.8202 9.35464 -98.3016 13.0863 -4.82016 13.0863 22.0339 GPRESSAVG: 3016200 41.483 10.5043 -3.34255 7.84692 -97.924 16.0605 -4.74595 9.97031 20.2203 TIMING: 3016200 CPU: 8741.58, 0.00289151/step Wall: 8741.58, 0.00289151/step, 1.59338 hours remaining, 210.675781 MB of memory in use. ENERGY: 3016200 715.9669 2083.2360 1982.4590 115.9356 -205769.6947 17549.6934 0.0000 0.0000 34124.9783 -149197.4255 298.0219 -183322.4038 -149095.1195 298.8921 -123.1664 -96.7178 559075.6080 -11.7838 -12.0736 LDB: ============= START OF LOAD BALANCING ============== 8744.97 LDB: ============== END OF LOAD BALANCING =============== 8744.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8744.97 LDB: ============= START OF LOAD BALANCING ============== 8745.26 LDB: Largest compute 4800 load 0.025281 is 21.4% of average load 0.117892 LDB: Average compute 0.001741 is 1.5% of average load 0.117892 LDB: TIME 8745.26 LOAD: AVG 0.117892 MAX 0.180676 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.312 MB LDB: TIME 8745.26 LOAD: AVG 0.117892 MAX 0.180676 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.312 MB LDB: TIME 8745.26 LOAD: AVG 0.117892 MAX 0.180676 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8745.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8745.27 PRESSURE: 3016400 -255.726 -101.766 12.2514 -101.767 -41.1686 -135.344 12.2511 -135.344 -322.012 GPRESSURE: 3016400 -201.27 -124.759 26.7329 -45.4408 -42.5804 -205.025 -16.2676 -80.8355 -259.731 PRESSAVG: 3016400 -35.3018 -53.7283 -2.24565 -53.7282 2.50293 -36.778 -2.24573 -36.778 22.4389 GPRESSAVG: 3016400 -35.914 -54.4323 -2.09278 -52.8522 1.47901 -36.7272 -2.40104 -35.4907 24.3576 TIMING: 3016400 CPU: 8742.17, 0.00294136/step Wall: 8742.17, 0.00294136/step, 1.62069 hours remaining, 209.402344 MB of memory in use. ENERGY: 3016400 753.3200 2059.4428 1976.6951 118.3425 -205907.6439 17733.9988 0.0000 0.0000 34031.9546 -149233.8902 297.2095 -183265.8448 -149136.5486 298.7367 -206.3022 -167.8605 559694.4813 -3.4533 -3.3591 PRESSURE: 3016600 -318.808 71.1974 127.217 71.1982 -141.279 131.901 127.217 131.9 67.1884 GPRESSURE: 3016600 -288.579 87.0172 125.229 78.0708 -78.7641 97.6256 128.347 87.862 61.6428 PRESSAVG: 3016600 -11.9932 -78.8895 -15.4361 -78.8896 -37.489 -27.517 -15.436 -27.5169 22.2367 GPRESSAVG: 3016600 -11.7662 -76.2368 -15.8213 -80.9004 -38.0068 -28.8757 -16.5616 -29.3595 21.9868 TIMING: 3016600 CPU: 8742.75, 0.00288749/step Wall: 8742.75, 0.00288749/step, 1.59085 hours remaining, 209.843750 MB of memory in use. ENERGY: 3016600 721.4160 2054.9296 1953.3085 125.0942 -206153.8590 17698.4577 0.0000 0.0000 34421.6555 -149178.9975 300.6129 -183600.6530 -149083.5866 298.8910 -130.9660 -101.9001 560067.9991 -9.0818 -9.2621 PRESSURE: 3016800 -63.4505 -21.7066 -65.9739 -21.7065 -146.024 35.764 -65.9739 35.7626 -143.211 GPRESSURE: 3016800 -27.5699 -84.7768 -26.3398 -29.7307 -97.9047 78.3324 -122.722 -37.7356 -124.3 PRESSAVG: 3016800 19.6674 8.75852 6.97697 8.75844 -48.7517 12.4934 6.97695 12.4934 12.2224 GPRESSAVG: 3016800 20.3582 6.52854 6.19211 9.93287 -48.6642 13.3907 8.12624 12.1714 11.2735 TIMING: 3016800 CPU: 8743.32, 0.00286107/step Wall: 8743.32, 0.00286107/step, 1.57613 hours remaining, 209.843750 MB of memory in use. ENERGY: 3016800 761.2216 2086.4320 1926.1698 116.9969 -205738.1209 17614.7836 0.0000 0.0000 34285.4007 -148947.1163 299.4229 -183232.5170 -148851.7717 299.3342 -117.5620 -83.2582 559113.1198 -5.6206 -5.6775 PRESSURE: 3017000 93.0678 104.256 41.6021 104.255 285.39 -137.344 41.6012 -137.344 -63.2824 GPRESSURE: 3017000 156.025 6.57029 29.8305 62.7859 261.121 -140.732 28.4314 -137.412 -1.72883 PRESSAVG: 3017000 60.1787 24.9002 -86.1098 24.9003 -68.7112 -12.3343 -86.1098 -12.3342 -6.11889 GPRESSAVG: 3017000 58.6275 23.1279 -88.3588 25.5807 -68.2388 -13.0008 -86.2445 -10.8465 -5.07957 TIMING: 3017000 CPU: 8743.89, 0.00287144/step Wall: 8743.89, 0.00287144/step, 1.58168 hours remaining, 209.843750 MB of memory in use. ENERGY: 3017000 761.4800 2085.1025 1970.6451 118.3976 -206236.5132 17948.8012 0.0000 0.0000 34217.9508 -149134.1359 298.8339 -183352.0867 -149030.7858 299.6457 105.0585 138.4727 556044.9294 -4.8838 -4.8969 PRESSURE: 3017200 5.11444 -45.0835 -165.184 -45.0825 88.0629 -9.91794 -165.185 -9.91882 19.1737 GPRESSURE: 3017200 6.40691 13.26 -113.652 -61.6265 159.975 56.3355 -98.5426 -75.8793 53.703 PRESSAVG: 3017200 31.6563 -2.48481 0.854353 -2.48481 -3.1014 -3.2141 0.854322 -3.21412 -38.2631 GPRESSAVG: 3017200 32.8418 0.0873968 2.87655 -3.23637 -2.85359 -5.36393 1.95187 -3.71603 -39.7518 TIMING: 3017200 CPU: 8744.47, 0.00288161/step Wall: 8744.47, 0.00288161/step, 1.58713 hours remaining, 209.843750 MB of memory in use. ENERGY: 3017200 729.4720 2038.1882 1951.6906 102.3317 -205992.6768 17733.4439 0.0000 0.0000 34107.5590 -149329.9915 297.8698 -183437.5505 -149228.7873 298.6749 37.4504 73.3617 556629.5422 -3.2361 -3.2545 PRESSURE: 3017400 -29.6918 237.784 13.2933 237.783 20.5917 -241.984 13.2927 -241.984 -89.7385 GPRESSURE: 3017400 -2.87475 179.475 -14.0316 218.543 78.3254 -126.728 -24.8938 -295.576 -80.2327 PRESSAVG: 3017400 -23.6238 19.2598 72.3148 19.2598 36.3055 -22.1751 72.3148 -22.1751 18.2837 GPRESSAVG: 3017400 -24.5857 17.1964 72.404 20.7688 36.8683 -20.7717 72.9097 -22.8945 18.9244 TIMING: 3017400 CPU: 8745.05, 0.0029144/step Wall: 8745.05, 0.0029144/step, 1.60503 hours remaining, 209.843750 MB of memory in use. ENERGY: 3017400 708.4893 2066.4701 1972.1706 105.4948 -205884.4085 17624.8633 0.0000 0.0000 34110.3981 -149296.5223 297.8946 -183406.9204 -149196.3996 298.2418 -32.9462 -1.5940 558330.7136 10.3218 10.4023 PRESSURE: 3017600 -260.916 -81.9494 27.2359 -81.9484 -103.544 -68.6921 27.2354 -68.6908 -185.181 GPRESSURE: 3017600 -199.118 -54.6903 43.6318 -112.406 -107.57 -78.411 23.6754 -53.9646 -137.503 PRESSAVG: 3017600 -3.27711 37.3461 20.0423 37.3461 43.4594 -31.1501 20.0423 -31.15 -53.4689 GPRESSAVG: 3017600 -2.11321 36.3461 20.9517 38.8499 41.6455 -30.7331 18.4111 -30.3871 -52.3086 TIMING: 3017600 CPU: 8745.63, 0.00288087/step Wall: 8745.63, 0.00288087/step, 1.5864 hours remaining, 209.843750 MB of memory in use. ENERGY: 3017600 754.4573 2088.1546 1962.9181 107.6334 -205975.4828 17670.0186 0.0000 0.0000 34117.1623 -149275.1385 297.9537 -183392.3008 -149170.8526 298.5049 -183.2135 -148.0636 558847.6932 -4.4289 -4.2588 PRESSURE: 3017800 -18.5016 36.2258 -19.151 36.2262 -145.567 41.2049 -19.1509 41.2052 186.553 GPRESSURE: 3017800 55.8814 -14.6853 -70.2271 40.4541 -94.0976 19.6884 9.27898 95.5053 151.675 PRESSAVG: 3017800 44.2272 -5.87479 -11.9058 -5.87479 14.4973 -10.3641 -11.9059 -10.3641 -15.6822 GPRESSAVG: 3017800 43.8183 -4.20547 -14.4416 -7.64231 15.3863 -9.31061 -10.5866 -10.6212 -16.4489 TIMING: 3017800 CPU: 8746.21, 0.00289932/step Wall: 8746.21, 0.00289932/step, 1.5964 hours remaining, 209.843750 MB of memory in use. ENERGY: 3017800 727.7524 2105.2965 1954.9992 101.0674 -206099.0170 17719.6725 0.0000 0.0000 34038.3136 -149451.9154 297.2651 -183490.2290 -149355.5176 298.2942 7.4949 37.8197 557122.7144 14.3474 14.2519 PRESSURE: 3018000 -207.273 67.682 139.182 67.6812 -221.026 -101.427 139.181 -101.428 232.311 GPRESSURE: 3018000 -191.809 71.1453 94.8604 38.3089 -145.63 -68.5102 122.595 -126.559 235.83 PRESSAVG: 3018000 -1.28334 -24.7634 14.9671 -24.7635 -24.6041 28.91 14.967 28.9098 75.8881 GPRESSAVG: 3018000 -0.704463 -23.3716 16.6528 -25.5528 -24.2676 26.9085 14.6728 29.6645 75.5594 TIMING: 3018000 CPU: 8746.79, 0.00290206/step Wall: 8746.79, 0.00290206/step, 1.59775 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3018000 782.2046 2095.4626 1946.9127 116.3522 -206459.7568 17931.0362 0.0000 0.0000 34044.4888 -149543.2997 297.3190 -183587.7885 -149445.8090 298.1513 -65.3294 -33.8699 556293.7883 16.6669 16.8624 PRESSURE: 3018200 70.3373 12.1447 -31.0863 12.1439 -104.295 -93.8399 -31.0868 -93.8396 145.837 GPRESSURE: 3018200 95.0728 -36.1644 -58.0082 8.63652 -120.858 -61.869 -33.1756 -92.6498 219.724 PRESSAVG: 3018200 -21.5412 12.7581 11.909 12.758 -19.9799 54.7529 11.9089 54.7527 78.6085 GPRESSAVG: 3018200 -22.2463 10.8779 12.0548 12.3161 -20.2425 56.1237 11.301 55.0645 79.3708 TIMING: 3018200 CPU: 8747.37, 0.00290454/step Wall: 8747.37, 0.00290454/step, 1.59895 hours remaining, 209.843750 MB of memory in use. ENERGY: 3018200 766.3241 2101.9745 1941.9566 106.8461 -206267.8554 17788.5587 0.0000 0.0000 34135.1301 -149427.0653 298.1106 -183562.1954 -149333.2484 298.0427 37.2931 64.6461 556792.6986 12.3625 12.2940 PRESSURE: 3018400 184.046 52.1402 -4.71643 52.1411 -66.7088 28.7085 -4.71712 28.7101 166.533 GPRESSURE: 3018400 262.218 44.9225 37.6199 20.9403 -32.4614 92.5512 -8.80228 15.8597 150.874 PRESSAVG: 3018400 -43.8508 -32.7341 2.16612 -32.7341 -6.37006 -44.0137 2.16597 -44.0137 55.5089 GPRESSAVG: 3018400 -43.2899 -32.4338 0.722282 -30.5959 -7.29067 -44.462 2.30555 -44.7768 56.0671 TIMING: 3018400 CPU: 8747.95, 0.00290576/step Wall: 8747.95, 0.00290576/step, 1.59946 hours remaining, 210.078125 MB of memory in use. ENERGY: 3018400 721.5332 2122.5213 1958.4315 115.3330 -206157.4074 17804.4954 0.0000 0.0000 33973.6954 -149461.3977 296.7007 -183435.0931 -149369.5252 298.2584 94.6234 126.8768 556301.8890 1.7627 1.8288 PRESSURE: 3018600 -74.3373 -139.931 -40.2021 -139.931 39.7898 73.7947 -40.203 73.7932 -381.424 GPRESSURE: 3018600 -31.567 -126.937 -65.2237 -157.608 37.1761 40.5775 111.092 41.587 -326.83 PRESSAVG: 3018600 36.9018 11.2931 19.9484 11.2931 14.5256 10.6748 19.9483 10.6748 -49.5657 GPRESSAVG: 3018600 35.579 12.7645 21.0135 10.6601 17.4177 10.6094 20.3642 10.0721 -51.0235 TIMING: 3018600 CPU: 8748.53, 0.00288982/step Wall: 8748.53, 0.00288982/step, 1.59052 hours remaining, 210.078125 MB of memory in use. ENERGY: 3018600 732.2191 2084.6838 1930.5699 113.7176 -206043.1891 17655.8090 0.0000 0.0000 34214.5700 -149311.6198 298.8043 -183526.1897 -149211.8677 298.5690 -138.6571 -107.0737 557112.5736 0.6206 0.6577 PRESSURE: 3018800 448.124 -74.0657 98.8737 -74.0656 -10.6839 -144.846 98.8743 -144.846 146.874 GPRESSURE: 3018800 494.993 -15.5623 76.615 -87.0826 34.3889 -21.9982 54.9917 -166.766 161.526 PRESSAVG: 3018800 -7.31656 10.4146 2.06783 10.4145 -8.62603 30.0858 2.06787 30.0857 -13.3926 GPRESSAVG: 3018800 -6.43752 9.73761 2.02692 9.76458 -9.76462 29.7276 0.319785 29.8888 -13.0643 TIMING: 3018800 CPU: 8749.11, 0.00288489/step Wall: 8749.11, 0.00288489/step, 1.58765 hours remaining, 210.078125 MB of memory in use. ENERGY: 3018800 689.1310 2056.0305 1930.0553 107.1920 -206249.1732 18022.3782 0.0000 0.0000 34126.9353 -149317.4510 298.0390 -183444.3863 -149218.8340 298.3298 194.7712 230.3025 556816.0026 -9.7784 -9.7555 PRESSURE: 3019000 102.418 -2.64944 -113.98 -2.64886 -27.8591 -64.804 -113.98 -64.8035 160.492 GPRESSURE: 3019000 107.553 -46.7959 -180.641 -17.2664 49.8032 -58.9479 -124.438 -45.6913 185.306 PRESSAVG: 3019000 33.0361 -53.7386 -0.829725 -53.7386 -62.9145 17.0464 -0.829759 17.0463 -7.48574 GPRESSAVG: 3019000 33.3703 -53.9154 -0.539266 -54.0085 -62.8479 17.7783 1.48746 19.7266 -7.98174 TIMING: 3019000 CPU: 8749.68, 0.00287721/step Wall: 8749.68, 0.00287721/step, 1.58327 hours remaining, 210.078125 MB of memory in use. ENERGY: 3019000 707.4132 2059.1057 1938.3903 113.3999 -206214.7409 17755.2828 0.0000 0.0000 34199.4302 -149441.7188 298.6721 -183641.1490 -149352.3122 298.0821 78.3504 114.2208 556495.3365 -12.4547 -12.4865 PRESSURE: 3019200 -10.1775 146.065 45.5714 146.066 80.7393 -74.8273 45.5713 -74.8275 174.867 GPRESSURE: 3019200 -51.7611 220.322 58.0978 112.483 186.252 -43.095 25.9267 -151.318 203.236 PRESSAVG: 3019200 13.7206 -14.8937 -15.5115 -14.8937 -10.1395 -13.7475 -15.5116 -13.7476 44.3302 GPRESSAVG: 3019200 13.3727 -16.1057 -16.4256 -14.8062 -9.59007 -14.0948 -16.5316 -16.635 43.9638 TIMING: 3019200 CPU: 8750.26, 0.00289596/step Wall: 8750.26, 0.00289596/step, 1.59342 hours remaining, 210.078125 MB of memory in use. ENERGY: 3019200 736.7435 2045.6108 1922.5055 133.4366 -206239.9153 17739.2187 0.0000 0.0000 34173.2880 -149489.1123 298.4438 -183662.4002 -149391.6660 298.8835 81.8096 112.5755 555884.4595 15.9704 15.9155 PRESSURE: 3019400 23.2083 -142.865 74.7347 -142.866 207.927 79.3105 74.7356 79.3101 -101.517 GPRESSURE: 3019400 -5.7076 -204.226 24.6701 -122.171 250.415 85.7034 150.268 130.659 -15.9887 PRESSAVG: 3019400 2.42847 -2.15511 25.2048 -2.15505 -0.626056 -33.992 25.2048 -33.9919 1.09962 GPRESSAVG: 3019400 1.56287 -0.754767 26.8631 -2.44369 -0.378862 -33.868 25.6641 -33.5708 1.96071 TIMING: 3019400 CPU: 8750.84, 0.00287453/step Wall: 8750.84, 0.00287453/step, 1.58147 hours remaining, 210.078125 MB of memory in use. ENERGY: 3019400 731.8359 2138.6985 1947.6672 107.6960 -206733.5251 18158.9341 0.0000 0.0000 34215.7098 -149432.9836 298.8143 -183648.6934 -149338.3936 299.1539 43.2061 76.2395 557066.7006 0.9673 1.0482 PRESSURE: 3019600 -145.768 28.0275 -22.3998 28.0281 -98.5526 -134.233 -22.4003 -134.234 162.309 GPRESSURE: 3019600 -80.3604 -71.99 66.6499 92.1931 -71.0047 -125.358 -86.1368 -99.9815 172.34 PRESSAVG: 3019600 -0.689376 2.4726 22.4922 2.47262 -43.9724 47.1394 22.4922 47.1394 60.3834 GPRESSAVG: 3019600 0.812131 0.497641 20.8244 3.09089 -44.6751 48.4572 22.0908 46.1117 59.2853 TIMING: 3019600 CPU: 8751.41, 0.00288375/step Wall: 8751.41, 0.00288375/step, 1.58638 hours remaining, 210.078125 MB of memory in use. ENERGY: 3019600 770.6422 2082.7058 1963.5340 126.0446 -206515.4681 18042.6519 0.0000 0.0000 34161.5317 -149368.3578 298.3412 -183529.8895 -149274.6823 299.0712 -27.3371 6.9915 557499.0662 5.2405 5.1408 PRESSURE: 3019800 -313.923 0.806023 -108.474 0.806461 18.15 117.937 -108.475 117.937 -202.001 GPRESSURE: 3019800 -267.173 115.97 -95.9668 -16.3624 40.0553 58.579 -38.6743 127.458 -177.102 PRESSAVG: 3019800 -33.7267 -0.208183 -10.1029 -0.208173 -29.0201 28.0563 -10.1028 28.0564 59.4774 GPRESSAVG: 3019800 -34.301 2.51461 -8.40354 -3.58284 -30.0143 25.6999 -11.6958 30.496 60.9073 TIMING: 3019800 CPU: 8751.99, 0.00289106/step Wall: 8751.99, 0.00289106/step, 1.59024 hours remaining, 210.078125 MB of memory in use. ENERGY: 3019800 781.4270 2080.5062 1939.7820 109.1664 -205968.4059 17528.6744 0.0000 0.0000 34331.9816 -149196.8684 299.8297 -183528.8499 -149100.1908 298.2322 -165.9246 -134.7399 557314.2484 -1.0898 -1.1360 PRESSURE: 3020000 -158.084 275.349 -122.545 275.349 -79.9613 65.4397 -122.545 65.4397 -175.981 GPRESSURE: 3020000 -127.575 302.21 -71.9123 173.085 -73.9924 -1.4661 -129.283 132.173 -119.317 PRESSAVG: 3020000 27.7192 9.44816 95.0541 9.44807 47.6142 -21.1533 95.054 -21.1534 -63.5285 GPRESSAVG: 3020000 27.4306 8.05453 94.0932 11.5991 48.57 -17.8656 94.6806 -23.8472 -64.2013 TIMING: 3020000 CPU: 8752.57, 0.00291913/step Wall: 8752.57, 0.00291913/step, 1.60552 hours remaining, 210.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3020000 765.3019 2057.2683 1952.0211 116.9732 -206078.7036 17592.8560 0.0000 0.0000 34440.2317 -149154.0514 300.7751 -183594.2831 -149051.2653 299.7173 -138.0088 -106.9617 557761.6186 3.9349 3.9331 PRESSURE: 3020200 187.429 88.2172 237.459 88.2177 -44.5698 109.563 237.458 109.562 -15.3404 GPRESSURE: 3020200 205.666 108.739 123.791 22.6833 -67.3886 113.27 280.911 83.2112 78.7364 PRESSAVG: 3020200 -21.5055 22.7752 4.70149 22.7752 36.7241 -52.2367 4.70159 -52.2368 -41.5987 GPRESSAVG: 3020200 -21.2584 22.2607 6.36403 23.1795 37.2855 -55.5196 5.88962 -51.5008 -41.9258 TIMING: 3020200 CPU: 8753.16, 0.00290739/step Wall: 8753.16, 0.00290739/step, 1.5989 hours remaining, 210.078125 MB of memory in use. ENERGY: 3020200 794.7640 2115.9874 1950.3369 129.4875 -206433.3452 18035.8869 0.0000 0.0000 34226.1123 -149180.7701 298.9052 -183406.8824 -149090.6126 298.7692 42.5061 72.3378 557379.6623 -8.7934 -8.6329 LDB: ============= START OF LOAD BALANCING ============== 8756.54 LDB: ============== END OF LOAD BALANCING =============== 8756.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8756.54 LDB: ============= START OF LOAD BALANCING ============== 8756.83 LDB: Largest compute 4800 load 0.024477 is 20.8% of average load 0.117886 LDB: Average compute 0.001737 is 1.5% of average load 0.117886 LDB: TIME 8756.84 LOAD: AVG 0.117886 MAX 0.180534 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.75 MB LDB: TIME 8756.84 LOAD: AVG 0.117886 MAX 0.180534 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: TIME 8756.84 LOAD: AVG 0.117886 MAX 0.180534 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: ============== END OF LOAD BALANCING =============== 8756.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8756.84 PRESSURE: 3020400 -115.496 -151.842 47.1831 -151.842 -22.0334 65.8458 47.1815 65.8452 24.6956 GPRESSURE: 3020400 -32.6163 -163.163 57.3345 -100.164 -4.06947 85.08 37.7901 18.4441 1.52444 PRESSAVG: 3020400 -6.71916 -29.5503 -9.86804 -29.5503 -24.5358 15.1912 -9.86807 15.1912 38.7592 GPRESSAVG: 3020400 -7.01363 -29.8576 -10.781 -29.1856 -26.0884 14.4581 -10.565 16.6698 40.291 TIMING: 3020400 CPU: 8753.75, 0.00295636/step Wall: 8753.75, 0.00295636/step, 1.62567 hours remaining, 207.453125 MB of memory in use. ENERGY: 3020400 737.0221 2069.7485 1966.3357 109.5873 -205807.7814 17646.0273 0.0000 0.0000 34141.2637 -149137.7968 298.1641 -183279.0605 -149046.1776 299.3662 -37.6112 -11.7205 557140.7648 2.5014 2.3963 PRESSURE: 3020600 -37.7453 -145.899 -193.108 -145.9 -41.8302 26.1809 -193.108 26.1834 -41.7805 GPRESSURE: 3020600 -67.2783 -115.546 -156.645 -106.879 61.3297 -4.1368 -170.833 119.178 -14.9259 PRESSAVG: 3020600 40.1591 5.51762 9.31693 5.51757 -16.6467 7.77124 9.31682 7.77126 -1.99514 GPRESSAVG: 3020600 39.7773 7.45103 8.12121 4.58909 -16.0141 7.62949 10.7861 8.05867 -2.43011 TIMING: 3020600 CPU: 8754.33, 0.00289452/step Wall: 8754.33, 0.00289452/step, 1.5915 hours remaining, 207.656250 MB of memory in use. ENERGY: 3020600 755.6050 2078.8120 1917.4488 113.0964 -206272.7687 17833.7683 0.0000 0.0000 34229.3634 -149344.6748 298.9335 -183574.0382 -149249.7474 299.5253 -40.4520 -6.9581 556937.4299 7.1724 7.1110 PRESSURE: 3020800 31.0837 -126.369 60.799 -126.369 156.742 -18.7809 60.7998 -18.7821 90.5029 GPRESSURE: 3020800 27.9125 -150.042 -33.4037 -1.29304 204.98 -10.3883 84.0596 -31.4339 145.518 PRESSAVG: 3020800 5.57801 -42.3116 -38.086 -42.3115 9.5265 1.73879 -38.086 1.73891 -10.5835 GPRESSAVG: 3020800 6.35429 -42.6899 -37.781 -42.0734 9.59272 2.58486 -39.4539 0.476321 -11.462 TIMING: 3020800 CPU: 8754.9, 0.0028911/step Wall: 8754.9, 0.0028911/step, 1.58946 hours remaining, 207.656250 MB of memory in use. ENERGY: 3020800 781.8237 2118.2847 1942.8860 122.1695 -206367.8474 17925.9035 0.0000 0.0000 34019.6159 -149457.1641 297.1018 -183476.7800 -149359.9728 299.3904 92.7763 126.1367 554788.9402 1.5070 1.4950 PRESSURE: 3021000 122.237 -112.906 22.1366 -112.905 -27.0242 45.4853 22.1372 45.4861 -157.129 GPRESSURE: 3021000 98.8114 -141.599 2.7018 -137.747 68.6737 24.2354 39.5603 22.8747 -138.409 PRESSAVG: 3021000 35.1828 -35.9641 -5.2696 -35.9641 7.48893 -1.61802 -5.26955 -1.61815 -44.0704 GPRESSAVG: 3021000 34.4835 -37.0469 -5.95859 -34.1917 7.63345 -0.541323 -3.65827 -1.92093 -43.4219 TIMING: 3021000 CPU: 8755.48, 0.00288379/step Wall: 8755.48, 0.00288379/step, 1.58528 hours remaining, 207.656250 MB of memory in use. ENERGY: 3021000 731.6542 2097.8834 1950.2384 97.9590 -206417.5360 17917.0201 0.0000 0.0000 34347.6110 -149275.1698 299.9662 -183622.7808 -149176.4669 298.7987 -20.6389 9.6920 555797.0329 -0.4662 -0.4350 PRESSURE: 3021200 -113.832 37.7545 123.641 37.7534 52.2265 -33.4882 123.641 -33.4887 230.039 GPRESSURE: 3021200 -54.1119 19.8462 124.376 69.2888 51.9005 -132.746 90.9556 139.179 266.19 PRESSAVG: 3021200 60.3937 -11.7438 58.2844 -11.7438 10.1733 32.6148 58.2843 32.6149 -28.5616 GPRESSAVG: 3021200 60.1159 -10.3782 57.9648 -13.6496 11.7695 28.8299 58.0159 35.0632 -29.5417 TIMING: 3021200 CPU: 8756.06, 0.00288674/step Wall: 8756.06, 0.00288674/step, 1.58674 hours remaining, 207.656250 MB of memory in use. ENERGY: 3021200 747.2389 2059.3043 1960.2457 135.4520 -206322.1140 17935.4674 0.0000 0.0000 34140.0733 -149344.3324 298.1538 -183484.4057 -149248.1211 299.2629 56.1445 87.9928 556131.3641 14.0018 14.1146 PRESSURE: 3021400 -113.883 -11.5255 5.4403 -11.5264 -168.293 -41.4791 5.43902 -41.4805 -98.3905 GPRESSURE: 3021400 -25.915 4.36174 -4.92567 -28.3023 -169.201 -120.155 -69.1277 -48.3896 -78.6746 PRESSAVG: 3021400 -21.0304 31.1571 -34.5545 31.1572 -22.0301 -3.33446 -34.5544 -3.33448 -7.63755 GPRESSAVG: 3021400 -20.3492 32.9746 -34.9509 30.0223 -22.4903 -0.926662 -33.5695 -5.25132 -7.69956 TIMING: 3021400 CPU: 8756.64, 0.00289655/step Wall: 8756.64, 0.00289655/step, 1.59198 hours remaining, 207.656250 MB of memory in use. ENERGY: 3021400 760.6758 2069.1131 1965.3367 123.6463 -206017.3406 17657.6721 0.0000 0.0000 34308.7420 -149132.1546 299.6268 -183440.8966 -149040.9567 299.5157 -126.8557 -91.2634 558940.5504 -16.8994 -16.8464 PRESSURE: 3021600 72.769 -153.352 34.585 -153.352 -138.085 -44.4861 34.5854 -44.4872 -178.699 GPRESSURE: 3021600 58.1195 -150.301 47.2216 -103.451 -105.992 -72.6773 59.6911 -83.1782 -96.4657 PRESSAVG: 3021600 16.7223 -36.3336 10.7818 -36.3336 -9.00208 35.922 10.7816 35.922 -1.58279 GPRESSAVG: 3021600 16.9181 -39.9157 11.6709 -33.4995 -8.95684 34.4969 9.82215 34.2079 -1.85146 TIMING: 3021600 CPU: 8757.22, 0.00289109/step Wall: 8757.22, 0.00289109/step, 1.58882 hours remaining, 207.656250 MB of memory in use. ENERGY: 3021600 783.9586 2062.4975 1949.0968 122.5293 -205949.7870 17812.0458 0.0000 0.0000 34231.8427 -148987.8164 298.9552 -183219.6591 -148894.5882 299.6225 -81.3384 -48.1126 558132.4137 2.0458 2.0366 PRESSURE: 3021800 125.125 136.403 -149.376 136.402 333.728 -257.471 -149.375 -257.472 115.257 GPRESSURE: 3021800 180.078 145.27 -125.338 150.095 337.878 -225.584 -87.8239 -217.145 147.311 PRESSAVG: 3021800 27.2421 -1.51264 -28.7289 -1.51267 -1.12535 -66.869 -28.7289 -66.8691 -11.2769 GPRESSAVG: 3021800 26.6705 -0.0802308 -28.0707 -4.65232 -1.83987 -64.203 -29.3965 -64.335 -9.33934 TIMING: 3021800 CPU: 8757.8, 0.00289977/step Wall: 8757.8, 0.00289977/step, 1.59342 hours remaining, 207.656250 MB of memory in use. ENERGY: 3021800 744.2754 2084.3775 1950.8284 111.0355 -206470.2471 17962.2914 0.0000 0.0000 34415.9339 -149201.5050 300.5629 -183617.4389 -149111.7634 299.6889 191.3703 221.7556 556866.2187 4.9466 5.1638 PRESSURE: 3022000 69.6145 -130.395 -73.7605 -130.395 233.164 163.581 -73.7602 163.581 338.766 GPRESSURE: 3022000 105.594 -83.7471 -91.2179 -106.401 292.356 150.942 -69.9061 274.326 336.621 PRESSAVG: 3022000 -30.7729 -14.5021 17.5193 -14.5021 13.8807 27.2332 17.5193 27.2333 22.696 GPRESSAVG: 3022000 -31.242 -14.5756 18.4322 -12.8026 14.7496 28.0278 17.2483 25.8114 22.2024 TIMING: 3022000 CPU: 8758.37, 0.00288501/step Wall: 8758.37, 0.00288501/step, 1.58515 hours remaining, 207.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3022000 741.5778 2112.0136 1944.7044 112.0185 -206180.7172 18084.9787 0.0000 0.0000 34111.1925 -149074.2317 297.9015 -183185.4242 -148980.5506 299.2951 213.8480 244.8569 557227.3810 1.9346 1.9033 PRESSURE: 3022200 314.733 61.5872 2.50948 61.5885 -105.5 25.554 2.50989 25.5555 153.19 GPRESSURE: 3022200 357.218 -35.3112 28.8748 182.732 -34.234 106.75 -106.075 -41.2769 117.889 PRESSAVG: 3022200 -25.2811 50.8438 -10.0777 50.8438 22.0212 11.9791 -10.0778 11.9792 -14.8258 GPRESSAVG: 3022200 -24.4895 49.5868 -13.3115 51.5792 21.052 10.0901 -8.45112 11.563 -15.1615 TIMING: 3022200 CPU: 8758.95, 0.00287021/step Wall: 8758.95, 0.00287021/step, 1.57686 hours remaining, 207.656250 MB of memory in use. ENERGY: 3022200 778.5811 2123.9832 1919.8800 114.3164 -206590.6076 18090.6936 0.0000 0.0000 34335.2730 -149227.8802 299.8585 -183563.1532 -149136.4369 299.2730 120.8075 146.9577 555266.9179 -6.0286 -6.1997 PRESSURE: 3022400 -7.29807 -7.27344 -171.166 -7.27205 194.94 178.677 -171.166 178.677 417.125 GPRESSURE: 3022400 82.6206 -129.402 -125.324 73.9851 231.072 135.016 -220.691 270.549 389.279 PRESSAVG: 3022400 22.8841 -48.4484 20.8362 -48.4482 13.6515 24.9979 20.8362 24.9979 0.129977 GPRESSAVG: 3022400 21.2195 -48.2731 22.8894 -49.7349 14.1576 26.2637 21.2033 24.88 0.500568 TIMING: 3022400 CPU: 8759.52, 0.00288375/step Wall: 8759.52, 0.00288375/step, 1.58414 hours remaining, 207.656250 MB of memory in use. ENERGY: 3022400 717.1389 2098.5604 1949.5279 113.0894 -206294.4497 18049.8218 0.0000 0.0000 34310.7768 -149055.5346 299.6445 -183366.3114 -148958.9456 300.0604 201.5888 234.3237 557017.1531 12.2218 11.9592 PRESSURE: 3022600 55.6749 99.0366 -33.4149 99.0356 242.678 114.759 -33.414 114.759 5.32891 GPRESSURE: 3022600 79.4494 162.25 -68.4009 16.3122 310.463 162.734 -13.3668 75.8134 12.8134 PRESSAVG: 3022600 1.94187 -4.8374 8.01551 -4.83746 -2.07673 20.3159 8.0155 20.316 -37.3881 GPRESSAVG: 3022600 2.13697 -2.99325 9.61144 -5.73979 -2.18913 18.2642 4.8473 21.7611 -37.853 TIMING: 3022600 CPU: 8760.09, 0.00285406/step Wall: 8760.09, 0.00285406/step, 1.56767 hours remaining, 207.656250 MB of memory in use. ENERGY: 3022600 746.2494 2171.5214 1958.7135 116.4374 -206333.4957 18074.4669 0.0000 0.0000 34308.3340 -148957.7731 299.6232 -183266.1071 -148869.4685 299.7449 101.2271 134.2420 556587.4571 -12.5077 -12.6350 PRESSURE: 3022800 177.228 192.745 32.7142 192.745 -364.2 -14.7319 32.7143 -14.7325 -505.573 GPRESSURE: 3022800 174.563 150.042 6.03832 171.543 -356.601 50.7159 71.9249 5.76346 -419.033 PRESSAVG: 3022800 66.5838 18.0843 -32.2121 18.0843 20.676 23.2975 -32.2122 23.2976 -64.3209 GPRESSAVG: 3022800 67.4427 14.1939 -32.6755 20.5852 20.2987 20.806 -32.2902 24.4548 -64.6618 TIMING: 3022800 CPU: 8760.67, 0.00286418/step Wall: 8760.67, 0.00286418/step, 1.57307 hours remaining, 207.656250 MB of memory in use. ENERGY: 3022800 768.4890 2049.3621 1988.6686 110.8644 -205704.7989 17486.8860 0.0000 0.0000 34233.2974 -149067.2314 298.9679 -183300.5288 -148962.8915 299.5538 -230.8484 -200.3570 557213.0354 7.6463 7.6932 PRESSURE: 3023000 -13.719 49.4949 111.526 49.4954 -112.225 32.0411 111.527 32.0407 -276.111 GPRESSURE: 3023000 14.7781 24.4028 158.688 76.1686 -96.1477 74.5925 86.3038 -4.90309 -231.882 PRESSAVG: 3023000 -46.0637 57.2467 -32.7767 57.2467 6.57068 50.6045 -32.7767 50.6045 16.49 GPRESSAVG: 3023000 -46.8464 59.2083 -32.4967 55.3678 6.8213 54.4711 -30.8061 48.438 17.0483 TIMING: 3023000 CPU: 8761.24, 0.00286287/step Wall: 8761.24, 0.00286287/step, 1.57219 hours remaining, 207.656250 MB of memory in use. ENERGY: 3023000 766.1771 2122.1686 1983.4527 121.1629 -205713.0180 17535.0683 0.0000 0.0000 34069.9069 -149115.0814 297.5410 -183184.9884 -149028.5611 298.7945 -134.0183 -104.4172 557137.9303 -7.6677 -7.6590 PRESSURE: 3023200 80.2027 -171.503 39.3736 -171.504 81.2139 151.719 39.3744 151.718 -7.94484 GPRESSURE: 3023200 154.268 -123.676 -28.5714 -179.704 86.4896 175.836 32.753 123.787 5.24832 PRESSAVG: 3023200 29.0717 -16.1054 37.161 -16.1054 -12.8145 77.4072 37.1611 77.4072 -11.6835 GPRESSAVG: 3023200 28.6084 -15.7112 35.1819 -13.4427 -12.4395 74.2115 37.6577 79.0967 -11.9522 TIMING: 3023200 CPU: 8761.81, 0.00285451/step Wall: 8761.81, 0.00285451/step, 1.56744 hours remaining, 207.656250 MB of memory in use. ENERGY: 3023200 715.1950 2142.4074 1994.2634 105.3813 -206281.1862 17856.0897 0.0000 0.0000 34457.4249 -149010.4246 300.9253 -183467.8495 -148901.6708 299.9544 51.1573 82.0019 557193.6922 1.5246 1.4056 PRESSURE: 3023400 -259.458 -15.3954 138.293 -15.3944 -43.922 2.21972 138.292 2.21921 -281.054 GPRESSURE: 3023400 -217.756 9.36944 183.553 -70.5679 -27.5501 -51.8573 102.26 -7.8429 -242.01 PRESSAVG: 3023400 30.2186 -0.544709 -9.87496 -0.544722 -37.7181 10.4509 -9.87492 10.451 16.6445 GPRESSAVG: 3023400 31.5278 -1.16822 -10.2845 -1.75355 -38.1174 12.5862 -10.6644 10.3758 15.2391 TIMING: 3023400 CPU: 8762.38, 0.00286432/step Wall: 8762.38, 0.00286432/step, 1.57267 hours remaining, 207.656250 MB of memory in use. ENERGY: 3023400 750.9988 2135.7510 1988.7103 118.1139 -206001.6964 17584.6203 0.0000 0.0000 34408.0399 -149015.4622 300.4940 -183423.5021 -148911.9075 299.7812 -194.8113 -162.4386 557940.3335 3.0483 2.8831 PRESSURE: 3023600 226.286 129.607 26.0568 129.607 -173.079 80.0575 26.0573 80.0592 12.1135 GPRESSURE: 3023600 258.438 139.455 85.9489 186.482 -143.158 96.8019 87.5783 97.0357 42.8063 PRESSAVG: 3023600 -40.4596 41.2974 11.8489 41.2974 28.9566 13.7316 11.849 13.7318 37.3184 GPRESSAVG: 3023600 -40.6815 41.0121 12.5804 39.6472 29.8077 12.6227 13.9629 10.2328 36.9568 TIMING: 3023600 CPU: 8762.96, 0.00285737/step Wall: 8762.96, 0.00285737/step, 1.5687 hours remaining, 207.656250 MB of memory in use. ENERGY: 3023600 757.6523 2106.0281 1962.8612 112.8214 -206292.0618 17845.8023 0.0000 0.0000 34354.6940 -149152.2026 300.0281 -183506.8965 -149058.3521 299.6405 21.7734 52.6954 558527.3018 8.6052 8.6944 PRESSURE: 3023800 -119.19 95.1078 -132.838 95.1083 -123.67 -41.4517 -132.837 -41.4532 79.5315 GPRESSURE: 3023800 -21.6064 24.049 -193.344 75.0361 -112.694 17.5449 -128.204 -19.8145 82.507 PRESSAVG: 3023800 -64.1113 2.55595 -22.7999 2.55605 30.2479 27.6927 -22.7999 27.6928 -6.38459 GPRESSAVG: 3023800 -65.5899 1.92379 -23.6367 3.46619 30.3117 27.0422 -23.5771 29.4758 -5.13584 TIMING: 3023800 CPU: 8763.53, 0.0028655/step Wall: 8763.53, 0.0028655/step, 1.573 hours remaining, 207.656250 MB of memory in use. ENERGY: 3023800 716.6068 2039.5667 1961.2101 108.4764 -206055.3732 17690.6245 0.0000 0.0000 34248.6999 -149290.1887 299.1024 -183538.8886 -149194.3649 299.2778 -54.4427 -17.2644 558485.1705 -13.4160 -13.4713 PRESSURE: 3024000 173.066 -29.0906 -0.750694 -29.0917 45.6206 74.0594 -0.750841 74.0605 150.65 GPRESSURE: 3024000 211.922 -18.7037 -5.07482 -107.286 112.747 39.524 -90.3143 84.3735 148.038 PRESSAVG: 3024000 -24.6247 -28.9715 -21.6413 -28.9715 4.1914 7.58874 -21.6414 7.58866 26.9859 GPRESSAVG: 3024000 -23.6124 -28.3243 -20.3038 -29.2684 3.96553 7.38268 -23.03 9.19086 26.174 TIMING: 3024000 CPU: 8764.1, 0.00287133/step Wall: 8764.1, 0.00287133/step, 1.57604 hours remaining, 207.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3024000 749.6844 2093.0024 1959.2904 122.6431 -206408.6216 17967.8553 0.0000 0.0000 34330.2103 -149185.9358 299.8143 -183516.1460 -149093.9787 299.4706 123.1119 157.5692 555579.4515 2.1842 2.1757 PRESSURE: 3024200 -42.7121 -201.075 -19.2182 -201.075 -37.3712 14.865 -19.2196 14.8655 -145.529 GPRESSURE: 3024200 -45.3224 -187.072 -20.4648 -126.492 9.31859 -64.3047 -21.0754 -0.892273 -95.941 PRESSAVG: 3024200 -17.1816 -77.7469 -65.1497 -77.7469 -5.41013 11.9832 -65.1497 11.9834 -5.99614 GPRESSAVG: 3024200 -17.9762 -78.3852 -63.4231 -77.7117 -5.29492 13.8199 -66.6653 10.8722 -5.35558 TIMING: 3024200 CPU: 8764.68, 0.0028815/step Wall: 8764.68, 0.0028815/step, 1.58146 hours remaining, 207.656250 MB of memory in use. ENERGY: 3024200 723.3978 2109.1001 1952.3436 109.1861 -206163.3816 17753.1525 0.0000 0.0000 34314.0421 -149202.1594 299.6731 -183516.2015 -149104.3031 299.4666 -75.2040 -43.9816 556507.5853 -9.5293 -9.5422 LDB: ============= START OF LOAD BALANCING ============== 8768.07 LDB: ============== END OF LOAD BALANCING =============== 8768.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8768.07 LDB: ============= START OF LOAD BALANCING ============== 8768.36 LDB: Largest compute 4800 load 0.024780 is 21.0% of average load 0.117923 LDB: Average compute 0.001742 is 1.5% of average load 0.117923 LDB: TIME 8768.36 LOAD: AVG 0.117923 MAX 0.177476 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.707 MB LDB: TIME 8768.36 LOAD: AVG 0.117923 MAX 0.177476 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.73 MB LDB: TIME 8768.36 LOAD: AVG 0.117923 MAX 0.177476 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8768.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8768.37 PRESSURE: 3024400 49.2517 32.245 60.388 32.246 243.852 86.6476 60.3881 86.6463 390.338 GPRESSURE: 3024400 83.0833 91.1682 42.1732 49.9995 314.297 124.239 29.8063 21.6552 382.317 PRESSAVG: 3024400 20.4029 20.5354 1.26261 20.5354 -13.417 -52.881 1.2625 -52.8811 -2.47669 GPRESSAVG: 3024400 19.9732 21.2857 -0.818632 19.2217 -13.2508 -52.179 3.44171 -52.4719 -1.81753 TIMING: 3024400 CPU: 8765.27, 0.00296267/step Wall: 8765.27, 0.00296267/step, 1.62585 hours remaining, 208.238281 MB of memory in use. ENERGY: 3024400 742.9393 2151.7365 1987.2295 111.7724 -206426.2442 18097.1287 0.0000 0.0000 34072.3900 -149263.0479 297.5627 -183335.4379 -149169.8883 299.8531 227.8138 259.8989 554235.8607 1.5031 1.6350 PRESSURE: 3024600 -40.2662 -217.013 -162.016 -217.012 125.479 -192.457 -162.015 -192.458 64.3813 GPRESSURE: 3024600 -5.33355 -154.328 -182.214 -222.785 148.666 -179.858 -164.455 -152.346 94.9864 PRESSAVG: 3024600 -9.50199 -4.68486 -5.92196 -4.68483 2.8128 2.97283 -5.92203 2.97273 13.3237 GPRESSAVG: 3024600 -8.80099 -5.29973 -5.61759 -2.54963 2.6556 2.80837 -6.80423 2.51662 12.3617 TIMING: 3024600 CPU: 8765.85, 0.00288944/step Wall: 8765.85, 0.00288944/step, 1.5855 hours remaining, 208.238281 MB of memory in use. ENERGY: 3024600 746.1372 2085.5278 1952.5100 120.3556 -206787.1557 18073.0869 0.0000 0.0000 34573.4057 -149236.1325 301.9382 -183809.5382 -149141.6810 298.9949 49.8647 79.4396 556770.7008 2.2115 2.0721 PRESSURE: 3024800 -171.225 -10.9049 -28.2095 -10.9056 -9.82364 -113.237 -28.2098 -113.237 -128.473 GPRESSURE: 3024800 -156.547 -130.806 13.2568 -4.40442 1.09432 -127.248 -23.0637 -92.5436 -58.007 PRESSAVG: 3024800 -81.5419 -35.7461 7.43857 -35.7461 60.6866 -2.51644 7.4385 -2.51646 -54.7317 GPRESSAVG: 3024800 -82.0456 -35.872 5.99783 -36.7729 61.7045 -2.83156 11.1574 -3.05012 -54.6859 TIMING: 3024800 CPU: 8766.43, 0.00288046/step Wall: 8766.43, 0.00288046/step, 1.58041 hours remaining, 208.238281 MB of memory in use. ENERGY: 3024800 781.6012 2085.1496 1956.2532 102.9460 -206237.9449 17742.7213 0.0000 0.0000 34305.4944 -149263.7794 299.5984 -183569.2737 -149166.4674 299.8455 -103.1740 -71.1532 556406.7659 -25.1956 -25.0090 PRESSURE: 3025000 -18.9687 12.1905 110.476 12.1908 -23.5123 13.3712 110.476 13.371 -148.807 GPRESSURE: 3025000 -40.0901 10.1927 116.838 17.814 78.2103 -34.4043 114.16 23.8212 -130.68 PRESSAVG: 3025000 -16.2926 5.60674 -8.38553 5.60668 46.4524 7.27364 -8.38558 7.27363 -27.0866 GPRESSAVG: 3025000 -15.4194 6.82453 -6.71697 5.1647 44.4388 7.70918 -10.0493 7.34789 -26.5012 TIMING: 3025000 CPU: 8767, 0.00287315/step Wall: 8767, 0.00287315/step, 1.57624 hours remaining, 208.238281 MB of memory in use. ENERGY: 3025000 733.5734 2076.1889 1959.7120 106.3317 -205882.3090 17585.9049 0.0000 0.0000 34185.7201 -149234.8779 298.5524 -183420.5980 -149145.0594 298.8009 -63.7625 -30.8532 557944.1216 1.0244 0.8394 PRESSURE: 3025200 -150.744 -2.55776 83.691 -2.55721 -142.481 143.288 83.6905 143.288 -394.017 GPRESSURE: 3025200 -112.049 24.8036 -3.22122 -69.9003 -114.486 183.016 93.4666 116.847 -353.382 PRESSAVG: 3025200 -31.9034 20.5223 50.1201 20.5223 35.5424 61.2552 50.12 61.2551 -27.6609 GPRESSAVG: 3025200 -32.5398 19.7707 50.1804 19.678 36.6923 62.1069 51.0473 60.4929 -28.2423 TIMING: 3025200 CPU: 8767.58, 0.00288399/step Wall: 8767.58, 0.00288399/step, 1.58203 hours remaining, 208.238281 MB of memory in use. ENERGY: 3025200 762.3939 2090.5248 1986.0918 102.5437 -206257.6398 17564.9962 0.0000 0.0000 34426.1635 -149324.9259 300.6522 -183751.0894 -149229.4534 299.6585 -229.0810 -193.3060 555876.8497 -8.0073 -8.0299 PRESSURE: 3025400 -262.682 -86.5661 28.4332 -86.5656 -108.3 125 28.4337 125 10.145 GPRESSURE: 3025400 -210.306 -49.8583 106.647 -97.3945 -69.2083 201.127 2.05642 125.34 16.3407 PRESSAVG: 3025400 28.3445 26.2284 19.6401 26.2283 -38.1231 67.8366 19.6399 67.8366 -3.86711 GPRESSAVG: 3025400 28.3131 25.8081 18.7322 26.2954 -38.7425 67.6851 19.1265 67.3966 -3.0596 TIMING: 3025400 CPU: 8768.16, 0.00289255/step Wall: 8768.16, 0.00289255/step, 1.58656 hours remaining, 208.238281 MB of memory in use. ENERGY: 3025400 709.9544 2163.3730 1975.2299 99.8965 -206023.1333 17689.9623 0.0000 0.0000 34173.2477 -149211.4694 298.4435 -183384.7171 -149120.3169 299.2417 -120.2792 -87.7244 557771.6459 -4.5486 -4.4963 PRESSURE: 3025600 -16.7696 6.81354 -48.0587 6.81399 214.621 17.7951 -48.0591 17.7948 -169.234 GPRESSURE: 3025600 10.6978 6.69684 -55.2692 -30.0277 246.546 57.0809 -53.815 -18.2722 -137.847 PRESSAVG: 3025600 2.15359 -8.37598 -24.8059 -8.37602 27.6214 -18.5685 -24.806 -18.5686 -39.8385 GPRESSAVG: 3025600 2.29272 -8.249 -23.8922 -8.06384 29.1922 -19.9509 -24.8493 -18.4041 -41.6939 TIMING: 3025600 CPU: 8768.73, 0.00289041/step Wall: 8768.73, 0.00289041/step, 1.58523 hours remaining, 208.238281 MB of memory in use. ENERGY: 3025600 729.4869 2121.0986 1968.2259 114.2581 -206405.3712 17769.1344 0.0000 0.0000 34470.0307 -149233.1367 301.0354 -183703.1674 -149137.1028 298.7441 9.5390 39.7989 557758.5907 -3.3545 -3.4030 PRESSURE: 3025800 -134.229 24.9082 -40.1293 24.9086 127.39 42.1739 -40.13 42.175 182.243 GPRESSURE: 3025800 -10.3602 63.3521 -104.587 33.6351 98.3015 7.98068 -18.7428 55.5464 184.88 PRESSAVG: 3025800 -50.5512 8.99047 -28.4489 8.9905 100.279 103.505 -28.4488 103.505 -28.5243 GPRESSAVG: 3025800 -49.1124 6.6068 -28.9278 11.9158 99.2888 103.195 -30.6269 106.299 -28.6628 TIMING: 3025800 CPU: 8769.31, 0.00289588/step Wall: 8769.31, 0.00289588/step, 1.58807 hours remaining, 208.238281 MB of memory in use. ENERGY: 3025800 705.5334 2040.0589 1983.4566 109.8792 -206372.0962 17950.5972 0.0000 0.0000 34505.5768 -149076.9942 301.3458 -183582.5709 -148980.4331 299.5096 58.4682 90.9405 557383.3360 7.0677 7.1712 PRESSURE: 3026000 -44.2015 65.5905 -81.5547 65.5893 -89.2585 73.8895 -81.5546 73.8904 -121.593 GPRESSURE: 3026000 -46.3035 70.0422 -154.786 -38.1773 -48.6777 56.6362 -90.4281 -22.7149 -73.997 PRESSAVG: 3026000 -69.8266 -28.6755 -8.01864 -28.6756 15.0064 71.4588 -8.01852 71.4587 59.9172 GPRESSAVG: 3026000 -69.095 -24.9903 -7.29058 -33.8108 14.2348 73.4889 -7.67256 69.0327 60.0676 TIMING: 3026000 CPU: 8769.89, 0.00287796/step Wall: 8769.89, 0.00287796/step, 1.57808 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3026000 737.0950 2074.0795 1949.1216 99.1578 -205893.7582 17619.1223 0.0000 0.0000 34227.3604 -149187.8215 298.9161 -183415.1819 -149086.1734 299.9536 -85.0176 -56.3261 558018.4589 1.6990 1.7358 PRESSURE: 3026200 -138.937 59.2707 -35.4373 59.2715 10.1796 -61.3353 -35.438 -61.3371 -9.02697 GPRESSURE: 3026200 -118.058 1.21038 26.1171 98.5656 85.8859 -143.836 -33.5842 -99.3452 -0.988222 PRESSAVG: 3026200 -82.7528 5.23773 -24.1263 5.23786 23.9498 33.5698 -24.1263 33.5698 75.6561 GPRESSAVG: 3026200 -83.8881 3.63126 -23.736 7.28343 24.7309 31.3724 -23.6516 35.5378 75.9127 TIMING: 3026200 CPU: 8770.46, 0.0028694/step Wall: 8770.46, 0.0028694/step, 1.57323 hours remaining, 208.238281 MB of memory in use. ENERGY: 3026200 771.3643 2004.7437 1932.6819 103.6878 -206209.4413 17857.3758 0.0000 0.0000 34295.2973 -149244.2905 299.5094 -183539.5878 -149140.8598 299.3367 -45.9281 -11.0535 558293.4137 5.6177 5.5852 PRESSURE: 3026400 -78.8831 21.0484 -55.769 21.0485 -127.391 69.7583 -55.7684 69.7569 -94.5231 GPRESSURE: 3026400 -35.2432 0.202971 -72.3377 62.01 -92.8266 86.4344 44.0375 16.1812 -64.0115 PRESSAVG: 3026400 -5.16988 -16.9761 4.63764 -16.976 48.1912 22.7763 4.6376 22.7763 -15.9438 GPRESSAVG: 3026400 -5.36486 -15.4208 1.8568 -18.1554 48.8859 23.9982 6.02085 21.5626 -16.4284 TIMING: 3026400 CPU: 8771.04, 0.00289022/step Wall: 8771.04, 0.00289022/step, 1.58448 hours remaining, 208.238281 MB of memory in use. ENERGY: 3026400 771.6385 2080.1867 1950.4142 110.2990 -206121.8731 17809.5577 0.0000 0.0000 34327.0853 -149072.6917 299.7870 -183399.7770 -148982.2662 300.0257 -100.2656 -64.0271 558822.2149 9.0258 9.0309 PRESSURE: 3026600 12.0336 -103.674 129.338 -103.674 532.103 53.981 129.338 53.9801 121.216 GPRESSURE: 3026600 -8.6958 -67.5486 163.27 -115.383 508.066 42.3703 157.38 37.7551 251.395 PRESSAVG: 3026600 23.8898 -22.0842 9.47895 -22.0842 52.9294 25.162 9.47902 25.1622 -37.7304 GPRESSAVG: 3026600 24.3861 -23.7256 12.5701 -21.1912 51.4218 25.2025 7.22701 24.3628 -37.6181 TIMING: 3026600 CPU: 8771.62, 0.00290108/step Wall: 8771.62, 0.00290108/step, 1.59028 hours remaining, 208.238281 MB of memory in use. ENERGY: 3026600 727.3234 2089.4073 1951.5299 92.7256 -206317.4076 18011.5434 0.0000 0.0000 34200.6838 -149244.1941 298.6831 -183444.8779 -149151.8133 300.4073 221.7842 250.2550 557516.7029 13.0296 12.7299 PRESSURE: 3026800 35.4023 -48.2331 -55.2698 -48.2334 -76.3388 6.53942 -55.2689 6.54079 22.7787 GPRESSURE: 3026800 61.8343 -41.0828 -72.7611 -54.9373 21.4632 68.9256 -76.8889 32.4113 7.88406 PRESSAVG: 3026800 -69.7425 -20.6457 13.2372 -20.6457 5.97045 83.9702 13.2373 83.9703 7.81509 GPRESSAVG: 3026800 -69.9068 -17.9791 12.3082 -21.8066 6.83858 82.5046 13.7098 84.867 7.48518 TIMING: 3026800 CPU: 8772.2, 0.00288475/step Wall: 8772.2, 0.00288475/step, 1.58116 hours remaining, 208.238281 MB of memory in use. ENERGY: 3026800 727.0070 2135.3266 1970.2970 123.0727 -206450.2777 17917.9590 0.0000 0.0000 34370.6365 -149205.9789 300.1673 -183576.6154 -149111.2788 299.1828 -6.0526 30.3939 558071.1237 -18.6523 -18.5277 PRESSURE: 3027000 -275.221 58.5021 184.204 58.5004 -215.698 23.1699 184.205 23.1704 99.4531 GPRESSURE: 3027000 -234.07 -60.8001 235.487 94.4291 -174.003 5.79062 178.865 40.3492 114.098 PRESSAVG: 3027000 -22.9985 -34.2104 32.1869 -34.2104 47.3269 -8.57078 32.187 -8.57077 18.5386 GPRESSAVG: 3027000 -23.1759 -36.3686 31.7884 -33.7503 47.2944 -7.81532 33.0741 -9.58225 18.6074 TIMING: 3027000 CPU: 8772.77, 0.00286957/step Wall: 8772.77, 0.00286957/step, 1.57268 hours remaining, 208.238281 MB of memory in use. ENERGY: 3027000 739.6248 2116.6294 1935.9243 120.3568 -205968.5939 17626.3331 0.0000 0.0000 34321.6867 -149108.0388 299.7398 -183429.7255 -149009.1906 299.0626 -130.4886 -97.9918 558417.6498 14.2890 14.2420 PRESSURE: 3027200 -250.843 -49.5268 -93.6845 -49.5244 -247.221 50.9258 -93.6843 50.9261 49.0757 GPRESSURE: 3027200 -190.496 -19.7897 -39.8041 -34.6013 -251.978 24.832 -159.929 38.1501 101.194 PRESSAVG: 3027200 -58.9027 -18.2164 45.1884 -18.2164 -16.4127 15.4493 45.1884 15.4492 85.7873 GPRESSAVG: 3027200 -58.5384 -16.7386 44.6057 -17.0675 -15.2486 14.4064 46.0161 17.1559 84.7254 TIMING: 3027200 CPU: 8773.35, 0.0028968/step Wall: 8773.35, 0.0028968/step, 1.58745 hours remaining, 208.238281 MB of memory in use. ENERGY: 3027200 734.9829 2117.8834 1980.7965 107.1280 -205746.9350 17520.9971 0.0000 0.0000 34268.7151 -149016.4322 299.2772 -183285.1473 -148912.0684 299.5120 -149.6628 -113.7598 557381.3032 3.4906 3.6461 PRESSURE: 3027400 20.7186 -77.8591 7.79077 -77.8591 -146.782 -67.5443 7.79055 -67.544 22.3476 GPRESSURE: 3027400 70.6429 -17.7539 28.6149 -93.5685 -100.84 5.67962 0.54114 -115.045 37.9009 PRESSAVG: 3027400 -18.026 -76.7791 39.7004 -76.779 -67.4771 -15.7771 39.7004 -15.7771 106.992 GPRESSAVG: 3027400 -19.1767 -79.0363 39.9466 -78.6742 -66.6657 -12.4674 39.0341 -16.0681 107.685 TIMING: 3027400 CPU: 8773.93, 0.00287089/step Wall: 8773.93, 0.00287089/step, 1.57309 hours remaining, 208.238281 MB of memory in use. ENERGY: 3027400 737.2213 2194.5294 1968.7662 119.0675 -205978.4853 17626.6367 0.0000 0.0000 34233.3682 -149098.8960 298.9685 -183332.2642 -148996.6058 299.9822 -34.5719 2.5681 557055.0184 7.1629 7.2807 PRESSURE: 3027600 -154.36 114.466 44.7619 114.466 -53.2041 138.346 44.7616 138.347 -329.287 GPRESSURE: 3027600 -155.291 151.817 50.6912 -8.69085 3.73625 102.91 57.4981 121.632 -288.186 PRESSAVG: 3027600 47.7399 6.99787 26.8633 6.99772 -17.6457 22.708 26.8634 22.7079 8.2173 GPRESSAVG: 3027600 49.0998 8.85287 25.4565 7.14015 -18.8735 20.7222 26.2666 22.2147 8.11826 TIMING: 3027600 CPU: 8774.5, 0.00288311/step Wall: 8774.5, 0.00288311/step, 1.57963 hours remaining, 208.238281 MB of memory in use. ENERGY: 3027600 761.8965 2099.4125 1964.6664 117.2759 -206200.9761 17640.5263 0.0000 0.0000 34412.5262 -149204.6723 300.5332 -183617.1985 -149105.6955 299.9331 -178.9504 -146.5805 558440.9910 12.7705 12.7815 PRESSURE: 3027800 -53.786 -87.098 50.0215 -87.0976 -4.18407 -125.129 50.0216 -125.129 23.8764 GPRESSURE: 3027800 14.1414 -129.334 60.6889 -162.838 64.5558 -18.0263 73.1186 -123.821 -13.6324 PRESSAVG: 3027800 -9.51654 -23.2657 9.57201 -23.2657 -12.7437 -40.4938 9.57199 -40.4939 19.0038 GPRESSAVG: 3027800 -9.64471 -24.3945 10.1207 -24.1336 -12.5663 -39.4081 10.8126 -40.6677 18.5152 TIMING: 3027800 CPU: 8775.08, 0.00289068/step Wall: 8775.08, 0.00289068/step, 1.58361 hours remaining, 208.238281 MB of memory in use. ENERGY: 3027800 750.3097 2126.9892 1976.6522 112.8054 -206378.0945 17870.4676 0.0000 0.0000 34222.2027 -149318.6677 298.8710 -183540.8704 -149217.0273 299.5201 -11.3646 21.6882 556298.6390 -1.0855 -1.2320 PRESSURE: 3028000 87.459 -204.501 -139.637 -204.5 -393.381 49.2039 -139.637 49.2041 -147.713 GPRESSURE: 3028000 55.9497 -232.259 -55.0529 -173.268 -316.334 22.5173 -201.103 11.4842 -96.8199 PRESSAVG: 3028000 59.113 -32.3638 -6.21507 -32.3639 15.162 28.2801 -6.21502 28.2802 -50.0706 GPRESSAVG: 3028000 59.8996 -32.0113 -6.8168 -32.2171 14.7804 27.3521 -8.23503 27.9793 -50.0342 TIMING: 3028000 CPU: 8775.66, 0.00291094/step Wall: 8775.66, 0.00291094/step, 1.59455 hours remaining, 208.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3028000 747.2611 2142.4976 1971.9639 115.4661 -205724.8038 17457.7669 0.0000 0.0000 34035.6153 -149254.2328 297.2415 -183289.8481 -149161.0729 298.7619 -151.2115 -119.0682 558495.3714 8.0681 8.2153 PRESSURE: 3028200 167.367 25.9433 -107.867 25.9429 299.141 66.5591 -107.867 66.5607 -236.647 GPRESSURE: 3028200 228.928 18.7482 18.438 55.0559 290.475 68.1987 -56.8245 134.288 -189.255 PRESSAVG: 3028200 1.82668 -38.2531 -14.8679 -38.2531 -14.929 68.1151 -14.8678 68.1152 25.0206 GPRESSAVG: 3028200 0.615555 -38.7723 -13.608 -37.3618 -14.4792 67.8386 -12.4325 67.2525 25.4337 TIMING: 3028200 CPU: 8776.24, 0.00289661/step Wall: 8776.24, 0.00289661/step, 1.58654 hours remaining, 208.582031 MB of memory in use. ENERGY: 3028200 739.4879 2058.1056 1947.8568 117.8267 -206499.4754 18147.3598 0.0000 0.0000 34186.0156 -149302.8230 298.5550 -183488.8386 -149207.3775 298.6988 76.6202 110.0494 558777.0188 3.9728 3.8567 LDB: ============= START OF LOAD BALANCING ============== 8779.63 LDB: ============== END OF LOAD BALANCING =============== 8779.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8779.63 LDB: ============= START OF LOAD BALANCING ============== 8779.92 LDB: Largest compute 4800 load 0.025742 is 21.8% of average load 0.117939 LDB: Average compute 0.001750 is 1.5% of average load 0.117939 LDB: TIME 8779.92 LOAD: AVG 0.117939 MAX 0.179097 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.605 MB LDB: TIME 8779.92 LOAD: AVG 0.117939 MAX 0.179097 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.605 MB LDB: TIME 8779.92 LOAD: AVG 0.117939 MAX 0.179097 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8779.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8779.93 PRESSURE: 3028400 35.3269 32.7401 -165.579 32.7392 54.9397 117.846 -165.579 117.846 -72.0442 GPRESSURE: 3028400 63.0633 -10.8329 -154.343 54.8631 89.2634 106.36 -144.455 119.21 -39.7045 PRESSAVG: 3028400 46.3859 0.199222 -2.6688 0.199252 -22.9535 13.2793 -2.66875 13.2792 -19.3392 GPRESSAVG: 3028400 46.8887 0.542633 -4.01909 -0.0623474 -24.031 14.2541 -3.97525 13.1304 -19.2227 TIMING: 3028400 CPU: 8776.83, 0.0029619/step Wall: 8776.83, 0.0029619/step, 1.62214 hours remaining, 209.500000 MB of memory in use. ENERGY: 3028400 747.5050 2103.4649 1952.7558 129.4802 -206465.3451 17980.7646 0.0000 0.0000 34201.7510 -149349.6236 298.6924 -183551.3746 -149255.8286 298.8841 6.0741 37.5407 557584.7915 1.3644 1.2117 PRESSURE: 3028600 -58.8317 99.5949 -12.5079 99.5946 -11.7604 -29.146 -12.5063 -29.1455 195.084 GPRESSURE: 3028600 0.972517 204.85 67.611 40.0718 34.9988 18.1769 -38.7859 -51.9439 184.226 PRESSAVG: 3028600 5.10834 -52.252 -10.3037 -52.252 4.36924 -7.52031 -10.3036 -7.52019 -4.95465 GPRESSAVG: 3028600 4.458 -52.7739 -8.02211 -53.0606 5.25513 -8.64215 -10.4745 -6.35871 -4.92129 TIMING: 3028600 CPU: 8777.41, 0.00288808/step Wall: 8777.41, 0.00288808/step, 1.58154 hours remaining, 210.000000 MB of memory in use. ENERGY: 3028600 731.8746 2094.8481 1956.5704 98.1139 -206282.0498 17798.8973 0.0000 0.0000 34307.3840 -149294.3615 299.6149 -183601.7455 -149198.8001 299.6270 41.4973 73.3992 557561.3279 1.5076 1.5973 PRESSURE: 3028800 77.8608 -77.3757 2.94636 -77.3737 -202.219 -157.205 2.94623 -157.206 -181.356 GPRESSURE: 3028800 63.0563 -36.988 -13.1504 -55.8013 -132.166 -179.77 25.237 -167.252 -137.918 PRESSAVG: 3028800 -6.34639 -38.8615 -22.3937 -38.8614 41.2699 -19.9021 -22.3937 -19.902 3.26807 GPRESSAVG: 3028800 -7.4309 -40.2713 -25.0527 -38.5267 41.5709 -19.2644 -20.3962 -20.2754 3.97587 TIMING: 3028800 CPU: 8777.99, 0.00289382/step Wall: 8777.99, 0.00289382/step, 1.58453 hours remaining, 210.000000 MB of memory in use. ENERGY: 3028800 697.2188 2058.2227 1946.9263 114.1066 -205816.2894 17590.4686 0.0000 0.0000 34099.6081 -149309.7383 297.8004 -183409.3464 -149216.6851 298.6680 -101.9047 -69.0091 557749.3430 12.7305 12.7053 PRESSURE: 3029000 10.6654 85.3513 -121.746 85.351 93.6006 -111.575 -121.746 -111.574 -157.87 GPRESSURE: 3029000 47.0431 12.4039 -117.731 113.539 145.45 -84.6342 -107.427 -70.0496 -138.335 PRESSAVG: 3029000 14.0198 10.874 -11.2661 10.874 87.4701 6.09656 -11.2661 6.09658 -41.9828 GPRESSAVG: 3029000 14.5952 13.3245 -8.75248 10.2141 87.8923 5.42969 -12.0524 5.65515 -42.8414 TIMING: 3029000 CPU: 8778.57, 0.00291437/step Wall: 8778.57, 0.00291437/step, 1.59562 hours remaining, 210.000000 MB of memory in use. ENERGY: 3029000 738.8152 2066.7061 1952.9642 114.3279 -206234.7094 17791.6722 0.0000 0.0000 34099.6159 -149470.6081 297.8004 -183570.2240 -149376.1479 298.5200 -17.8679 18.0527 556808.4020 19.8357 19.8820 PRESSURE: 3029200 -91.7575 -74.5904 82.7108 -74.5902 -112.813 -148.863 82.7107 -148.861 249.104 GPRESSURE: 3029200 -14.1412 -143.279 80.7217 -69.4709 -102.933 -149.046 43.8692 -151.222 267.82 PRESSAVG: 3029200 -5.60763 -34.2946 -32.4216 -34.2945 -6.71613 17.6471 -32.4217 17.647 -17.0957 GPRESSAVG: 3029200 -5.23144 -37.8754 -33.2926 -31.8129 -7.49078 15.6427 -31.7557 19.1609 -16.2647 TIMING: 3029200 CPU: 8779.15, 0.00290798/step Wall: 8779.15, 0.00290798/step, 1.59196 hours remaining, 210.000000 MB of memory in use. ENERGY: 3029200 708.5580 2077.6534 1943.7261 107.7596 -205754.0986 17733.7123 0.0000 0.0000 33868.5779 -149314.1113 295.7827 -183182.6892 -149215.9191 298.3510 14.8444 50.2484 556863.6527 -9.8065 -9.6623 PRESSURE: 3029400 -89.1785 -67.611 -138.294 -67.6097 107.695 46.1508 -138.295 46.1505 308.349 GPRESSURE: 3029400 -64.1345 -80.0353 -132.129 -62.7348 141.971 -53.2506 -129.777 101.078 347.452 PRESSAVG: 3029400 -39.5328 -41.9223 -26.2202 -41.9223 -13.2295 -2.32452 -26.2202 -2.32458 56.4076 GPRESSAVG: 3029400 -38.4511 -39.597 -26.3511 -44.3359 -12.6379 0.15942 -27.2345 -4.74211 54.8022 TIMING: 3029400 CPU: 8779.73, 0.00289758/step Wall: 8779.73, 0.00289758/step, 1.5861 hours remaining, 210.000000 MB of memory in use. ENERGY: 3029400 710.5445 2056.3536 1970.6081 116.2679 -206247.9351 17881.1141 0.0000 0.0000 34163.8584 -149349.1885 298.3615 -183513.0469 -149250.7805 298.6830 108.9553 141.7629 557652.5721 1.2151 1.2377 PRESSURE: 3029600 235.918 100.655 -47.1432 100.655 53.7926 -21.6146 -47.1435 -21.6169 129.722 GPRESSURE: 3029600 335.576 89.9815 -70.1179 47.4417 42.924 -89.1944 -22.737 -6.10982 143.832 PRESSAVG: 3029600 14.0591 24.1947 7.35294 24.1947 -1.2304 -15.1852 7.35295 -15.1852 -25.032 GPRESSAVG: 3029600 12.9708 22.1941 6.03649 24.2777 -1.16265 -15.7802 7.81166 -14.532 -23.6332 TIMING: 3029600 CPU: 8780.31, 0.00288726/step Wall: 8780.31, 0.00288726/step, 1.5803 hours remaining, 210.000000 MB of memory in use. ENERGY: 3029600 772.1686 2128.3401 1939.6688 105.4535 -206440.2458 18041.6800 0.0000 0.0000 34230.6191 -149222.3158 298.9445 -183452.9348 -149127.7147 298.6930 139.8109 174.1106 556022.1416 -4.0678 -3.9417 PRESSURE: 3029800 52.297 103.487 201.141 103.487 58.9115 102.003 201.14 102.004 -182.878 GPRESSURE: 3029800 62.1297 124.314 151.299 69.5705 69.4191 113.339 157.962 -25.6417 -93.9947 PRESSAVG: 3029800 34.4845 74.7026 4.49247 74.7026 -2.88313 -45.1749 4.49249 -45.1749 -61.5237 GPRESSAVG: 3029800 35.2945 74.36 6.56423 77.2593 -3.09694 -44.4607 3.89633 -45.9231 -61.651 TIMING: 3029800 CPU: 8780.89, 0.00288472/step Wall: 8780.89, 0.00288472/step, 1.57874 hours remaining, 210.000000 MB of memory in use. ENERGY: 3029800 757.5495 2059.5676 1973.9534 119.8675 -206188.1502 17771.8890 0.0000 0.0000 34541.0793 -148964.2439 301.6558 -183505.3232 -148861.7068 299.7483 -23.8897 12.5181 557214.5179 -9.9741 -9.8178 PRESSURE: 3030000 -152.703 -50.5125 5.55783 -50.5123 -7.35675 -25.7339 5.55777 -25.735 -66.165 GPRESSURE: 3030000 -123.394 -12.3562 -37.8019 -20.816 17.6061 -77.5334 33.0254 -20.7024 -14.0859 PRESSAVG: 3030000 -21.3002 -9.98568 40.4108 -9.98567 23.3658 -18.4756 40.4109 -18.4755 -4.60023 GPRESSAVG: 3030000 -20.6287 -7.52944 41.1671 -12.6061 22.8081 -17.4076 41.7494 -17.6958 -4.35035 TIMING: 3030000 CPU: 8781.46, 0.00286869/step Wall: 8781.46, 0.00286869/step, 1.56981 hours remaining, 210.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3030000 747.6622 2122.3857 1939.1794 117.9830 -206028.1125 17845.8191 0.0000 0.0000 34341.8899 -148913.1931 299.9163 -183255.0830 -148819.4551 300.0706 -75.4084 -39.9579 559616.9140 -0.8449 -0.7236 PRESSURE: 3030200 59.6072 30.9445 79.3669 30.9451 -125.323 -29.2257 79.3673 -29.2266 -406.903 GPRESSURE: 3030200 89.6531 98.4429 95.2062 -9.25776 -67.5179 -60.7128 87.8581 -40.2586 -391.26 PRESSAVG: 3030200 -27.9777 37.8901 3.15783 37.8901 17.968 -13.9882 3.15774 -13.9883 -14.563 GPRESSAVG: 3030200 -28.4584 35.7266 1.66953 39.1204 18.0698 -16.5838 1.20576 -13.8804 -14.535 TIMING: 3030200 CPU: 8782.04, 0.00289486/step Wall: 8782.04, 0.00289486/step, 1.58397 hours remaining, 210.000000 MB of memory in use. ENERGY: 3030200 711.3433 2089.5882 1958.8533 116.2443 -205791.6320 17557.9122 0.0000 0.0000 34560.6126 -148797.0782 301.8264 -183357.6907 -148698.2994 300.5807 -157.5396 -123.0414 560169.4467 -8.1909 -8.3079 PRESSURE: 3030400 98.7326 30.4811 2.57167 30.4811 4.25214 -35.5691 2.57154 -35.5679 33.0933 GPRESSURE: 3030400 112.16 -26.8876 50.3432 84.3198 92.4634 -40.2168 50.882 -3.10263 21.3682 PRESSAVG: 3030400 33.3542 6.29754 -2.15708 6.29749 -35.1971 -28.9012 -2.15705 -28.9012 33.4819 GPRESSAVG: 3030400 34.4817 6.06162 -3.69608 6.84692 -34.6355 -26.7162 -1.37678 -28.3918 32.3147 TIMING: 3030400 CPU: 8782.62, 0.00290949/step Wall: 8782.62, 0.00290949/step, 1.59181 hours remaining, 210.000000 MB of memory in use. ENERGY: 3030400 741.3838 2074.6261 1965.1587 118.0335 -206093.8266 17856.2860 0.0000 0.0000 34397.7558 -148940.5827 300.4042 -183338.3385 -148842.7818 300.8534 45.3593 75.3305 557422.5631 10.5464 10.7203 PRESSURE: 3030600 -282.427 46.9197 -11.4413 46.9199 -289.039 -168.853 -11.4402 -168.853 -333.385 GPRESSURE: 3030600 -222.781 11.4967 -42.0661 4.28945 -287.476 -176.192 -28.3904 -111.988 -302.568 PRESSAVG: 3030600 42.1889 17.0608 12.0046 17.0609 -21.153 -50.7911 12.0045 -50.791 3.77709 GPRESSAVG: 3030600 41.4125 18.3521 14.264 15.9861 -21.4636 -51.6534 13.2028 -52.0636 4.82431 TIMING: 3030600 CPU: 8783.2, 0.00289398/step Wall: 8783.2, 0.00289398/step, 1.58317 hours remaining, 210.000000 MB of memory in use. ENERGY: 3030600 709.5564 2126.5995 1960.7434 111.8551 -205375.6748 17273.2920 0.0000 0.0000 34281.8751 -148911.7532 299.3921 -183193.6283 -148805.7562 300.5280 -301.6172 -270.9416 559325.6166 8.2710 8.2578 PRESSURE: 3030800 -108.295 -30.2645 70.7482 -30.2637 -134.295 93.3647 70.7478 93.3661 -23.5769 GPRESSURE: 3030800 -82.3239 -122.361 88.3572 113.918 -55.6606 109.575 27.6042 11.7851 -35.43 PRESSAVG: 3030800 -33.7832 35.6178 9.06083 35.6178 0.518216 -24.8859 9.0607 -24.8858 26.1606 GPRESSAVG: 3030800 -34.766 35.4979 8.46246 36.1919 2.50662 -24.7702 7.54848 -24.4135 25.0016 TIMING: 3030800 CPU: 8783.78, 0.00287742/step Wall: 8783.78, 0.00287742/step, 1.57395 hours remaining, 210.000000 MB of memory in use. ENERGY: 3030800 783.5943 2115.3592 1916.9527 111.9548 -205793.3588 17596.7506 0.0000 0.0000 34355.1110 -148913.6361 300.0317 -183268.7472 -148816.3706 300.7828 -88.7222 -57.8048 557307.6890 -2.3681 -2.4193 PRESSURE: 3031000 -214.206 -81.9416 50.6135 -81.9412 56.9605 -9.44851 50.6142 -9.44749 163.173 GPRESSURE: 3031000 -179.145 -2.48786 114.302 -168.091 128.429 -19.3509 38.2421 -13.393 151.133 PRESSAVG: 3031000 2.22651 27.0892 20.8711 27.0892 -22.8766 -47.7767 20.8713 -47.7765 -7.00842 GPRESSAVG: 3031000 2.152 28.6435 19.3169 23.7851 -24.3067 -47.4874 21.941 -46.5914 -5.38546 TIMING: 3031000 CPU: 8784.35, 0.00288203/step Wall: 8784.35, 0.00288203/step, 1.57631 hours remaining, 210.000000 MB of memory in use. ENERGY: 3031000 759.5509 2111.3992 1945.8029 117.0031 -205908.4946 17597.3954 0.0000 0.0000 34311.9856 -149065.3574 299.6551 -183377.3430 -148963.4850 300.1900 1.9760 33.4724 556360.0487 -9.2195 -9.1801 PRESSURE: 3031200 -196.145 -58.6714 98.2899 -58.6716 -200.834 25.4703 98.2907 25.4718 97.972 GPRESSURE: 3031200 -185.098 78.1286 58.0181 -71.6327 -108.841 51.7219 107.184 -3.74678 90.5103 PRESSAVG: 3031200 -35.185 40.0027 -44.1354 40.0026 19.3823 39.3055 -44.1354 39.3055 -1.59514 GPRESSAVG: 3031200 -34.1265 39.4194 -43.1384 42.8189 19.1861 39.198 -44.6458 37.9236 -2.78685 TIMING: 3031200 CPU: 8784.93, 0.00289783/step Wall: 8784.93, 0.00289783/step, 1.58479 hours remaining, 210.222656 MB of memory in use. ENERGY: 3031200 756.0522 2107.8580 1974.2310 112.0521 -205742.8865 17512.3961 0.0000 0.0000 34326.2894 -148954.0076 299.7800 -183280.2970 -148851.7974 299.9044 -99.6690 -67.8097 556570.8298 -5.7993 -5.9091 PRESSURE: 3031400 -116.3 92.7668 102.576 92.7659 -169.74 94.9964 102.576 94.9966 -60.7401 GPRESSURE: 3031400 -80.8991 -5.69035 79.4972 115.515 -117.426 150.781 87.9091 76.2378 -44.614 PRESSAVG: 3031400 -29.0296 0.0569125 9.07566 0.0569923 58.5091 35.6466 9.07585 35.6465 -52.7469 GPRESSAVG: 3031400 -29.3068 0.0640444 7.87526 -0.788892 58.3297 34.2824 7.41533 36.8101 -52.4886 TIMING: 3031400 CPU: 8785.52, 0.00291694/step Wall: 8785.52, 0.00291694/step, 1.59508 hours remaining, 210.222656 MB of memory in use. ENERGY: 3031400 746.8758 2041.6925 1967.1969 103.4465 -205692.3388 17591.5823 0.0000 0.0000 34244.7848 -148996.7600 299.0682 -183241.5448 -148898.9156 299.9715 -115.5935 -80.9797 559183.9622 -7.7558 -7.8219 PRESSURE: 3031600 -88.1571 48.8714 193.214 48.8716 65.2096 -149.373 193.214 -149.371 54.7091 GPRESSURE: 3031600 -75.9902 102.321 214.668 81.7396 75.2256 -160.276 195.053 -95.0703 130.188 PRESSAVG: 3031600 -21.043 52.6529 27.2473 52.6529 -2.34352 1.4999 27.2474 1.49993 -1.13653 GPRESSAVG: 3031600 -20.6729 53.0499 26.9098 55.7853 -2.7301 3.06078 29.1136 0.143049 -0.555503 TIMING: 3031600 CPU: 8786.1, 0.00291598/step Wall: 8786.1, 0.00291598/step, 1.5944 hours remaining, 210.222656 MB of memory in use. ENERGY: 3031600 736.6199 2105.4892 1968.4839 111.3128 -206137.6810 17858.0682 0.0000 0.0000 34452.9812 -148904.7257 300.8865 -183357.7070 -148807.5998 300.2080 10.5872 43.1411 559317.2331 -8.1744 -7.9862 PRESSURE: 3031800 -520.485 -38.4307 -31.9476 -38.4322 138.73 -23.0736 -31.948 -23.0734 126.183 GPRESSURE: 3031800 -454.743 -17.018 -18.2334 -59.9979 154.56 -64.5559 44.5279 -65.7696 131.466 PRESSAVG: 3031800 -60.0751 43.7334 -24.573 43.7334 55.8108 -19.6398 -24.5731 -19.6398 8.38917 GPRESSAVG: 3031800 -61.3143 43.4257 -21.8033 39.9894 56.9138 -18.1513 -27.0153 -20.6224 8.81884 TIMING: 3031800 CPU: 8786.68, 0.0028946/step Wall: 8786.68, 0.0028946/step, 1.58254 hours remaining, 210.222656 MB of memory in use. ENERGY: 3031800 750.5804 2080.9835 1962.6867 116.9434 -206045.8025 17836.3052 0.0000 0.0000 34348.3303 -148949.9730 299.9725 -183298.3033 -148852.9785 300.2016 -85.1910 -56.2389 558838.2891 1.3749 1.4728 PRESSURE: 3032000 63.8089 -3.62915 -28.5013 -3.62857 71.4235 65.5954 -28.5007 65.5951 -16.7668 GPRESSURE: 3032000 143.308 56.791 -11.0476 -52.5512 78.2856 -11.5898 -59.0209 77.5112 -14.1213 PRESSAVG: 3032000 -16.112 -0.129809 4.76392 -0.129852 19.5457 10.3114 4.76393 10.3114 -22.9199 GPRESSAVG: 3032000 -16.9367 -1.61686 4.5586 0.264419 20.0826 6.81606 5.85111 11.8267 -23.1599 TIMING: 3032000 CPU: 8787.26, 0.00291175/step Wall: 8787.26, 0.00291175/step, 1.59176 hours remaining, 210.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3032000 703.5365 2139.3109 1949.7976 114.6063 -206232.9994 17758.5388 0.0000 0.0000 34624.6602 -148942.5490 302.3858 -183567.2092 -148851.3605 300.5474 39.4885 69.1575 556529.9420 -6.4954 -6.6713 PRESSURE: 3032200 129.048 200.455 -103.88 200.454 -55.2412 -25.3251 -103.881 -25.3273 9.31596 GPRESSURE: 3032200 178.588 127.769 -132.06 181.718 2.64812 36.5085 -36.6404 -66.5344 -11.2371 PRESSAVG: 3032200 -55.7749 53.4983 -31.8758 53.4984 -7.66552 -9.95648 -31.8757 -9.95636 93.0041 GPRESSAVG: 3032200 -54.4906 53.5788 -33.1494 54.7996 -7.75005 -9.94121 -32.3275 -9.56709 92.0005 TIMING: 3032200 CPU: 8787.84, 0.00289476/step Wall: 8787.84, 0.00289476/step, 1.58231 hours remaining, 210.222656 MB of memory in use. ENERGY: 3032200 731.1008 2120.6907 1964.7409 104.8083 -205714.7123 17575.1881 0.0000 0.0000 34138.7801 -149079.4032 298.1425 -183218.1834 -148989.6879 300.7303 27.7076 56.6665 556900.9563 9.8546 9.9199 LDB: ============= START OF LOAD BALANCING ============== 8791.23 LDB: ============== END OF LOAD BALANCING =============== 8791.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8791.23 LDB: ============= START OF LOAD BALANCING ============== 8791.52 LDB: Largest compute 4800 load 0.025816 is 21.9% of average load 0.117960 LDB: Average compute 0.001738 is 1.5% of average load 0.117960 LDB: TIME 8791.52 LOAD: AVG 0.11796 MAX 0.181093 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.75 MB LDB: TIME 8791.52 LOAD: AVG 0.11796 MAX 0.181093 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: TIME 8791.52 LOAD: AVG 0.11796 MAX 0.181093 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: ============== END OF LOAD BALANCING =============== 8791.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8791.53 PRESSURE: 3032400 -85.25 -17.2869 24.8332 -17.2879 -37.6709 -97.6049 24.8322 -97.6059 224.541 GPRESSURE: 3032400 -94.7958 -56.9542 148.671 12.586 18.988 -91.0421 -23.3454 -99.5443 265.433 PRESSAVG: 3032400 17.6339 -22.1521 -24.0841 -22.152 -36.2663 21.1968 -24.084 21.1968 -4.55734 GPRESSAVG: 3032400 16.6891 -21.6573 -23.9598 -22.7852 -35.4647 22.5797 -23.7123 21.1124 -4.19984 TIMING: 3032400 CPU: 8788.44, 0.00297407/step Wall: 8788.44, 0.00297407/step, 1.6255 hours remaining, 210.636719 MB of memory in use. ENERGY: 3032400 755.2561 2130.4882 1950.3763 115.8258 -206491.1655 18005.7380 0.0000 0.0000 34502.6198 -149030.8613 301.3200 -183533.4811 -148932.4910 299.6620 33.8732 63.2083 556070.6404 -7.7299 -7.6585 PRESSURE: 3032600 383.656 -89.4573 37.0221 -89.4577 171.014 84.1777 37.0208 84.1758 -267.938 GPRESSURE: 3032600 382.304 4.98245 52.362 -105.403 206.34 -0.991062 -21.2926 160.597 -225.781 PRESSAVG: 3032600 49.2815 -40.8969 -31.4423 -40.8969 15.3561 18.6915 -31.4423 18.6916 -33.8509 GPRESSAVG: 3032600 49.5664 -40.9719 -31.8977 -40.4412 14.3687 17.2667 -31.9473 18.3931 -33.1434 TIMING: 3032600 CPU: 8789.01, 0.00287968/step Wall: 8789.01, 0.00287968/step, 1.57374 hours remaining, 210.636719 MB of memory in use. ENERGY: 3032600 769.2881 2127.4658 1974.5782 110.4488 -206016.3038 17837.4974 0.0000 0.0000 34202.6060 -148994.4194 298.6999 -183197.0255 -148900.7022 300.2269 95.5773 120.9544 555857.1387 10.2623 10.2639 PRESSURE: 3032800 90.3217 -24.1618 -19.5375 -24.1624 -94.0923 -12.5953 -19.5371 -12.5957 49.7987 GPRESSURE: 3032800 130.768 -39.8603 -52.2453 -38.5235 -70.3327 -2.69972 79.8014 34.6441 91.7654 PRESSAVG: 3032800 91.9327 25.7463 -15.9481 25.7463 5.65684 14.7968 -15.9482 14.7968 -65.8442 GPRESSAVG: 3032800 92.0061 26.7744 -15.3764 25.8244 5.04549 17.6338 -15.9844 14.0223 -64.8999 TIMING: 3032800 CPU: 8789.59, 0.0028963/step Wall: 8789.59, 0.0028963/step, 1.58267 hours remaining, 210.636719 MB of memory in use. ENERGY: 3032800 732.1242 2098.0482 1944.1072 111.3559 -205910.3618 17767.3772 0.0000 0.0000 34123.4951 -149133.8540 298.0090 -183257.3491 -149034.9695 299.4970 15.3427 50.7337 557469.1720 10.5818 10.7172 PRESSURE: 3033000 -318.038 -91.9922 135.047 -91.9934 0.662234 -37.7222 135.047 -37.7225 296.707 GPRESSURE: 3033000 -235.373 -67.1414 153.093 -34.5527 41.9234 -141.047 67.3036 6.91712 265.176 PRESSAVG: 3033000 -67.9716 31.9278 13.9533 31.9278 26.7532 -20.6054 13.9532 -20.6053 35.8071 GPRESSAVG: 3033000 -68.1655 31.4124 13.7459 31.303 27.6416 -22.7093 13.8385 -19.3772 35.2942 TIMING: 3033000 CPU: 8790.16, 0.00286351/step Wall: 8790.16, 0.00286351/step, 1.56459 hours remaining, 210.675781 MB of memory in use. ENERGY: 3033000 723.9034 2060.3520 1992.0246 113.2547 -206350.2871 17894.2683 0.0000 0.0000 34359.6942 -149206.7900 300.0718 -183566.4842 -149106.8616 299.3528 -6.8893 23.9086 557080.1866 -1.8038 -1.7432 PRESSURE: 3033200 -24.618 97.244 105.821 97.2439 -128.742 131.828 105.82 131.827 105.066 GPRESSURE: 3033200 52.7381 62.8865 158.869 146.453 -102.224 40.3194 54.3789 190.414 97.9609 PRESSAVG: 3033200 -34.4692 -7.36964 60.8609 -7.36959 -90.1482 6.83856 60.861 6.83853 110.899 GPRESSAVG: 3033200 -33.5459 -8.52074 62.5929 -8.12138 -89.8902 6.07419 60.3745 5.40986 110.141 TIMING: 3033200 CPU: 8790.74, 0.00288379/step Wall: 8790.74, 0.00288379/step, 1.57551 hours remaining, 210.675781 MB of memory in use. ENERGY: 3033200 759.2618 2103.6617 1959.2303 118.9542 -206049.8827 17720.1413 0.0000 0.0000 34152.6758 -149235.9576 298.2638 -183388.6334 -149145.1470 299.7520 -16.0979 16.1583 556077.4573 -4.5726 -4.4317 PRESSURE: 3033400 142.102 46.291 144.592 46.2919 -273.632 -57.1895 144.59 -57.1883 -94.1362 GPRESSURE: 3033400 175.021 92.933 118.913 45.3793 -246.333 -126.226 180.729 -13.9377 -52.1575 PRESSAVG: 3033400 -46.0763 -13.3585 -25.8805 -13.3585 -28.3613 -19.0799 -25.8805 -19.0798 82.7513 GPRESSAVG: 3033400 -46.9326 -13.7279 -28.1881 -11.2229 -28.6441 -19.181 -24.4649 -18.4115 83.6148 TIMING: 3033400 CPU: 8791.32, 0.00288917/step Wall: 8791.32, 0.00288917/step, 1.57829 hours remaining, 210.675781 MB of memory in use. ENERGY: 3033400 719.3370 2090.3387 1968.8042 125.4375 -206544.4817 17836.7264 0.0000 0.0000 34486.4642 -149317.3736 301.1789 -183803.8378 -149214.4301 299.6530 -75.2219 -41.1563 557030.5807 2.7712 2.6794 PRESSURE: 3033600 48.2094 58.2156 73.8375 58.2163 -86.4623 27.6339 73.8376 27.6332 204.919 GPRESSURE: 3033600 109.435 68.4185 116.892 46.5214 -69.4083 60.5542 102.727 -0.0529868 227.628 PRESSAVG: 3033600 -36.3003 -31.6771 16.1549 -31.6772 -67.2957 -16.2162 16.155 -16.2162 37.2647 GPRESSAVG: 3033600 -36.3567 -30.9353 16.2749 -34.6744 -67.2514 -15.1939 15.6306 -16.4995 37.9358 TIMING: 3033600 CPU: 8791.9, 0.00289994/step Wall: 8791.9, 0.00289994/step, 1.58401 hours remaining, 210.675781 MB of memory in use. ENERGY: 3033600 723.2870 2177.2697 1966.2657 116.6164 -206108.1961 17766.5817 0.0000 0.0000 34080.6798 -149277.4959 297.6351 -183358.1756 -149180.6803 299.2281 55.5554 89.2180 557209.1491 -22.1104 -21.8907 PRESSURE: 3033800 -51.3011 19.791 118.457 19.7925 55.5354 -86.4451 118.456 -86.4453 -165.169 GPRESSURE: 3033800 4.67562 61.3707 135.661 -12.509 98.1205 -67.558 44.1985 -77.2866 -175.195 PRESSAVG: 3033800 -17.647 -25.8041 16.367 -25.804 -9.06012 -61.2544 16.367 -61.2544 44.7556 GPRESSAVG: 3033800 -17.7311 -24.6713 16.813 -25.0945 -9.28118 -61.3928 16.1462 -60.3563 44.7719 TIMING: 3033800 CPU: 8792.47, 0.00287229/step Wall: 8792.47, 0.00287229/step, 1.56875 hours remaining, 210.675781 MB of memory in use. ENERGY: 3033800 728.1382 2072.9983 1990.5668 116.9197 -206042.1104 17718.2379 0.0000 0.0000 34325.7174 -149089.5320 299.7750 -183415.2494 -148991.2654 299.4630 -53.6448 -24.1329 558165.3663 6.0162 5.9199 PRESSURE: 3034000 -380.694 -60.0577 27.8492 -60.0577 -49.3298 -178.106 27.8497 -178.106 -82.6218 GPRESSURE: 3034000 -345.626 -38.4354 59.3627 -163.008 -49.8517 -187.768 64.5036 -156.018 -14.4222 PRESSAVG: 3034000 -2.39113 -2.8514 17.5508 -2.85132 -41.614 -67.1444 17.5508 -67.1443 15.4779 GPRESSAVG: 3034000 -1.77247 -1.84113 17.6749 -4.57835 -41.7078 -66.2767 17.9003 -69.8664 14.8746 TIMING: 3034000 CPU: 8793.05, 0.002879/step Wall: 8793.05, 0.00287899/step, 1.57225 hours remaining, 210.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3034000 778.8181 2079.6784 1949.7646 104.4106 -206006.8564 17654.2277 0.0000 0.0000 34340.1464 -149099.8107 299.9010 -183439.9571 -149000.7471 299.0384 -170.8820 -136.6334 559871.8795 -9.5091 -9.5352 PRESSURE: 3034200 42.9016 17.2319 294.903 17.2327 112.048 -54.0805 294.902 -54.0793 -122.132 GPRESSURE: 3034200 68.4151 -40.9644 357.472 67.2278 152.969 -98.4967 285.66 45.728 -98.6171 PRESSAVG: 3034200 -63.5393 13.0831 3.87558 13.0829 65.8041 -13.8584 3.87564 -13.8584 -45.079 GPRESSAVG: 3034200 -64.0776 11.8712 3.93193 15.6996 65.3992 -16.1676 2.85225 -11.6773 -44.3807 TIMING: 3034200 CPU: 8793.62, 0.00288525/step Wall: 8793.62, 0.00288525/step, 1.57551 hours remaining, 210.675781 MB of memory in use. ENERGY: 3034200 768.2253 2124.5275 1945.4273 98.9971 -206369.5682 17977.8884 0.0000 0.0000 34323.0637 -149131.4389 299.7519 -183454.5026 -149032.9896 300.0008 10.9392 40.9222 557032.8939 -14.2714 -14.3530 PRESSURE: 3034400 47.0531 -0.448063 100.814 -0.447929 47.0921 46.4444 100.815 46.445 -216.782 GPRESSURE: 3034400 91.7369 19.9849 115.976 -13.8824 26.7932 17.447 96.0826 102.079 -148.52 PRESSAVG: 3034400 -36.4507 47.6042 -6.13186 47.6042 21.1825 -40.3352 -6.13175 -40.3353 -0.231296 GPRESSAVG: 3034400 -35.5853 48.4187 -4.93681 45.6757 20.8484 -39.4596 -5.16067 -40.3743 -1.12139 TIMING: 3034400 CPU: 8794.2, 0.00286875/step Wall: 8794.2, 0.00286875/step, 1.56634 hours remaining, 210.675781 MB of memory in use. ENERGY: 3034400 762.9379 2116.8491 1958.2455 116.3978 -206384.6046 17766.0312 0.0000 0.0000 34450.6173 -149213.5258 300.8658 -183664.1431 -149111.7340 299.5869 -40.8789 -9.9965 556993.8887 -5.1665 -5.2861 PRESSURE: 3034600 185.584 101.804 54.5058 101.804 -128.72 -16.866 54.5059 -16.8657 -33.8744 GPRESSURE: 3034600 194.63 36.1156 18.4772 128.287 -67.6614 -84.0404 74.2317 2.43668 -17.6865 PRESSAVG: 3034600 20.9641 -0.549845 37.0339 -0.5499 -17.971 10.7321 37.034 10.7321 -46.9183 GPRESSAVG: 3034600 19.9804 -2.82572 34.4843 0.465286 -17.4348 13.2788 37.0888 10.2149 -46.9528 TIMING: 3034600 CPU: 8794.77, 0.0028754/step Wall: 8794.77, 0.0028754/step, 1.56981 hours remaining, 210.675781 MB of memory in use. ENERGY: 3034600 721.7614 2064.4908 1928.3818 105.5243 -206069.5609 17851.8983 0.0000 0.0000 34095.3636 -149302.1408 297.7633 -183397.5044 -149209.6130 298.6372 7.6634 36.4273 558556.9964 -14.6417 -14.8024 PRESSURE: 3034800 42.6471 149.833 -58.3381 149.833 -0.550568 -97.6307 -58.3389 -97.6336 -178.183 GPRESSURE: 3034800 46.3423 104.408 -68.823 130.017 42.0429 -166.209 7.5962 -31.5423 -129.644 PRESSAVG: 3034800 11.2874 -62.4659 -20.8787 -62.466 25.656 5.05742 -20.8786 5.05739 -16.6026 GPRESSAVG: 3034800 11.3796 -62.1513 -19.5284 -62.9614 25.0823 3.8743 -19.2601 4.38603 -16.7103 TIMING: 3034800 CPU: 8795.35, 0.00288677/step Wall: 8795.35, 0.00288677/step, 1.57585 hours remaining, 210.675781 MB of memory in use. ENERGY: 3034800 727.5242 2091.9170 1945.2781 103.5140 -206404.1253 17884.0043 0.0000 0.0000 34143.2325 -149508.6553 298.1813 -183651.8878 -149406.9827 298.1111 -45.3622 -13.7531 558944.4750 6.7803 6.5839 PRESSURE: 3035000 -228.427 -222.601 85.2862 -222.602 -9.81096 -37.5752 85.2865 -37.5751 -53.206 GPRESSURE: 3035000 -226.271 -171.27 82.8208 -288.016 67.2548 -47.7233 -15.2141 -51.3998 -26.2699 PRESSAVG: 3035000 31.5945 -42.7652 -29.5708 -42.7653 -46.6442 -19.3696 -29.5706 -19.3695 5.35113 GPRESSAVG: 3035000 31.371 -40.8611 -31.802 -41.5557 -45.3162 -18.4378 -29.9103 -19.947 4.518 TIMING: 3035000 CPU: 8795.93, 0.00288048/step Wall: 8795.93, 0.00288048/step, 1.57226 hours remaining, 210.675781 MB of memory in use. ENERGY: 3035000 724.5586 2083.7229 1954.6965 130.2888 -206198.1766 17794.6869 0.0000 0.0000 34147.5932 -149362.6296 298.2194 -183510.2228 -149264.7881 298.3939 -97.1479 -61.7620 558005.5698 -3.2329 -3.1424 PRESSURE: 3035200 73.559 185.089 -14.56 185.088 206.861 -94.7754 -14.5599 -94.7744 -60.1816 GPRESSURE: 3035200 83.2671 207.787 -37.1777 83.7218 238.12 -36.6376 58.7037 -185.582 -10.0641 PRESSAVG: 3035200 -7.75923 19.7076 -30.2957 19.7076 12.576 -49.7187 -30.2957 -49.7187 13.5677 GPRESSAVG: 3035200 -7.58603 17.4529 -28.5036 18.9026 13.0004 -49.7974 -30.3008 -49.9497 12.952 TIMING: 3035200 CPU: 8796.51, 0.00289247/step Wall: 8796.51, 0.00289247/step, 1.57865 hours remaining, 210.675781 MB of memory in use. ENERGY: 3035200 704.7568 2136.2743 1946.5014 120.3188 -206429.4712 17921.1719 0.0000 0.0000 34369.6171 -149230.8310 300.1584 -183600.4481 -149134.2771 299.3425 73.4129 103.7743 558340.0587 6.1282 6.1221 PRESSURE: 3035400 29.4447 -38.0575 12.1093 -38.0562 261.258 147.953 12.109 147.955 -75.9291 GPRESSURE: 3035400 24.4599 -47.4082 22.4972 -74.0535 274.228 173.368 112.924 149.381 10.8056 PRESSAVG: 3035400 -15.8261 -33.234 -42.236 -33.2339 42.9409 -22.1142 -42.2362 -22.1143 -23.313 GPRESSAVG: 3035400 -16.3763 -30.9844 -42.7442 -34.7573 43.3224 -23.7653 -42.8538 -21.5444 -23.4857 TIMING: 3035400 CPU: 8797.09, 0.00292237/step Wall: 8797.09, 0.00292237/step, 1.5948 hours remaining, 210.675781 MB of memory in use. ENERGY: 3035400 748.0083 2123.9493 1945.7649 121.1138 -206687.1625 18025.4215 0.0000 0.0000 34412.4935 -149310.4112 300.5329 -183722.9046 -149220.0280 299.0607 71.5911 103.1647 555835.1380 1.2673 1.1535 PRESSURE: 3035600 -239.64 -110.264 -77.9818 -110.265 -160.35 -23.9449 -77.9812 -23.9464 141.442 GPRESSURE: 3035600 -193.95 -61.7697 -3.02839 -36.3438 -23.4952 7.98826 -130.301 -28.4638 66.4671 PRESSAVG: 3035600 24.4518 -73.3848 6.25984 -73.3848 4.33594 1.98892 6.25969 1.98888 18.547 GPRESSAVG: 3035600 25.2417 -75.3281 5.85298 -68.8254 3.46648 2.63401 6.10668 1.62136 18.6197 TIMING: 3035600 CPU: 8797.67, 0.00292324/step Wall: 8797.67, 0.00292324/step, 1.59511 hours remaining, 210.675781 MB of memory in use. ENERGY: 3035600 756.8450 2115.7904 1935.4178 109.1761 -205949.7361 17637.3079 0.0000 0.0000 34186.8987 -149208.3001 298.5627 -183395.1988 -149116.3705 298.6464 -86.1827 -50.3261 557525.5978 15.7782 15.7760 PRESSURE: 3035800 172.516 -87.7391 67.061 -87.7388 23.3631 -189.921 67.061 -189.921 -241.31 GPRESSURE: 3035800 193.869 -85.1457 88.5259 -68.4868 58.3872 -128.816 22.0179 -168.494 -202.198 PRESSAVG: 3035800 76.2342 -0.592924 -55.2982 -0.592893 -24.1899 -54.2312 -55.2982 -54.2312 -67.0922 GPRESSAVG: 3035800 75.6857 0.285971 -56.1504 -4.54113 -25.9742 -52.91 -55.7765 -55.0868 -64.074 TIMING: 3035800 CPU: 8798.26, 0.00291991/step Wall: 8798.26, 0.00291991/step, 1.59314 hours remaining, 210.675781 MB of memory in use. ENERGY: 3035800 786.9094 2101.2634 1968.6712 115.0847 -206084.5271 17696.3253 0.0000 0.0000 34286.8317 -149129.4415 299.4354 -183416.2732 -149040.3233 299.2354 -15.1436 16.6862 557017.8035 -5.0160 -4.7875 PRESSURE: 3036000 14.4873 -130.456 -77.0775 -130.456 24.6286 169.63 -77.0771 169.628 -22.8639 GPRESSURE: 3036000 49.5233 -102.514 -44.4057 -124.184 41.474 146.496 -110.607 209.244 8.85042 PRESSAVG: 3036000 57.1858 -42.9858 -31.4275 -42.9858 -3.14931 -16.9748 -31.4274 -16.9748 -53.2017 GPRESSAVG: 3036000 57.4628 -41.7357 -31.1059 -41.5547 -1.00521 -19.4906 -30.6721 -15.2141 -55.4351 TIMING: 3036000 CPU: 8798.84, 0.00290457/step Wall: 8798.84, 0.00290457/step, 1.5846 hours remaining, 210.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3036000 747.8623 2125.3909 1978.0853 114.1365 -206245.9793 17877.7154 0.0000 0.0000 34411.8640 -148990.9250 300.5274 -183402.7890 -148892.3256 299.8549 5.4173 33.2826 558414.4357 0.2783 0.3408 PRESSURE: 3036200 57.9887 79.1537 33.4904 79.1539 -108.078 -99.446 33.49 -99.445 341.365 GPRESSURE: 3036200 106.898 89.4256 -46.2121 84.5785 -30.8116 -33.5903 -0.0503917 -133.347 313.886 PRESSAVG: 3036200 -2.714 -20.0199 12.7063 -20.02 -19.0838 -5.87944 12.7064 -5.87938 4.18412 GPRESSAVG: 3036200 -2.48899 -21.9129 11.6929 -20.1448 -20.329 -4.95627 13.4275 -4.43452 5.23402 TIMING: 3036200 CPU: 8799.42, 0.00290998/step Wall: 8799.42, 0.00290998/step, 1.58739 hours remaining, 210.675781 MB of memory in use. ENERGY: 3036200 756.0929 2123.6561 1960.2253 118.6329 -206128.1960 17851.8613 0.0000 0.0000 34372.8266 -148944.9009 300.1864 -183317.7275 -148847.4061 299.8846 97.0920 129.9907 556910.8294 -5.8712 -5.8613 LDB: ============= START OF LOAD BALANCING ============== 8802.81 LDB: ============== END OF LOAD BALANCING =============== 8802.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8802.81 LDB: ============= START OF LOAD BALANCING ============== 8803.1 LDB: Largest compute 4801 load 0.025203 is 21.4% of average load 0.117926 LDB: Average compute 0.001739 is 1.5% of average load 0.117926 LDB: TIME 8803.1 LOAD: AVG 0.117926 MAX 0.180326 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.086 MB LDB: TIME 8803.1 LOAD: AVG 0.117926 MAX 0.180326 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: TIME 8803.1 LOAD: AVG 0.117926 MAX 0.180326 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8803.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8803.11 PRESSURE: 3036400 99.0336 44.8597 -58.0643 44.859 -53.931 -62.2023 -58.0649 -62.2011 61.1216 GPRESSURE: 3036400 181.514 -13.8622 -115.76 70.1541 -60.9212 -83.2343 9.37187 -34.4861 88.7998 PRESSAVG: 3036400 58.2549 -6.60354 9.23884 -6.60352 -21.2987 -33.4104 9.23891 -33.4103 29.3296 GPRESSAVG: 3036400 57.9528 -6.77717 9.82769 -7.16972 -21.1246 -35.3266 9.10049 -33.3308 29.3756 TIMING: 3036400 CPU: 8800.01, 0.00295237/step Wall: 8800.01, 0.00295237/step, 1.61036 hours remaining, 208.812500 MB of memory in use. ENERGY: 3036400 736.9604 2055.8453 1958.3572 106.2536 -205926.5881 17727.7923 0.0000 0.0000 34235.2750 -149106.1042 298.9852 -183341.3792 -149006.6824 299.9058 35.4081 69.7975 556849.3177 22.0953 22.0679 PRESSURE: 3036600 23.1939 -175.449 -78.0949 -175.45 -170.337 -60.7935 -78.0933 -60.7949 -93.8966 GPRESSURE: 3036600 10.0684 -167.941 -113.33 -194.556 -92.2489 -35.5384 -57.3654 11.2192 -62.0528 PRESSAVG: 3036600 23.9522 -15.0486 0.419448 -15.0487 -32.4488 -10.0754 0.419401 -10.0754 34.5188 GPRESSAVG: 3036600 23.9859 -13.6101 1.04156 -16.7992 -31.7467 -6.68812 -0.381631 -11.8621 33.6361 TIMING: 3036600 CPU: 8800.59, 0.0028703/step Wall: 8800.59, 0.0028703/step, 1.56543 hours remaining, 208.812500 MB of memory in use. ENERGY: 3036600 795.4225 2138.0037 1930.7001 102.7063 -205845.7852 17677.4789 0.0000 0.0000 34148.1495 -149053.3241 298.2243 -183201.4736 -148960.5386 299.5457 -80.3465 -48.0778 557058.1253 8.6741 8.6251 PRESSURE: 3036800 -369.871 98.324 114.515 98.3222 -4.11804 -25.4197 114.516 -25.4179 41.6292 GPRESSURE: 3036800 -312.324 -0.223691 53.4454 159.698 -25.7399 -130.525 136.606 13.4451 104.114 PRESSAVG: 3036800 6.63298 -87.3813 40.3165 -87.3813 -8.66111 -17.5628 40.3165 -17.5628 21.0164 GPRESSAVG: 3036800 5.28468 -89.4014 39.7454 -86.1981 -7.78685 -17.6349 41.1158 -17.6716 21.0041 TIMING: 3036800 CPU: 8801.16, 0.00287513/step Wall: 8801.16, 0.00287513/step, 1.5679 hours remaining, 208.812500 MB of memory in use. ENERGY: 3036800 774.0258 2078.2174 1939.5776 106.3100 -205925.7982 17491.2114 0.0000 0.0000 34444.2725 -149092.1836 300.8104 -183536.4561 -148991.0372 299.9994 -110.7866 -77.9835 556976.1902 6.3294 6.1673 PRESSURE: 3037000 -168.931 101.726 6.34003 101.724 -67.4692 165.374 6.34019 165.373 -123.632 GPRESSURE: 3037000 -119.006 109.6 8.8144 196.918 -37.2144 36.2191 126.967 223.354 -103.869 PRESSAVG: 3037000 -6.13927 -77.1944 22.2125 -77.1945 4.67954 46.3708 22.2125 46.3708 3.42339 GPRESSAVG: 3037000 -5.18102 -74.5536 22.7963 -76.6404 2.25782 44.1679 21.8639 48.552 4.61692 TIMING: 3037000 CPU: 8801.74, 0.00289855/step Wall: 8801.74, 0.00289855/step, 1.58051 hours remaining, 208.812500 MB of memory in use. ENERGY: 3037000 751.1467 2114.4921 1934.3596 119.5043 -205964.1362 17666.0293 0.0000 0.0000 34226.5728 -149152.0313 298.9092 -183378.6042 -149061.6068 299.5002 -120.0109 -86.6965 558083.1463 0.6546 0.5646 PRESSURE: 3037200 -179.938 192.259 74.1127 192.258 -178.176 -37.8808 74.1121 -37.8812 -335.72 GPRESSURE: 3037200 -139.395 151.606 99.6993 238.911 -121.792 -130.832 -19.3291 -7.54469 -343.543 PRESSAVG: 3037200 -61.1397 18.7172 -8.91345 18.717 53.7289 -26.2541 -8.91338 -26.2542 35.9766 GPRESSAVG: 3037200 -60.2492 16.4845 -8.47332 17.9382 54.6237 -27.7323 -8.6143 -27.6703 34.9846 TIMING: 3037200 CPU: 8802.32, 0.00287967/step Wall: 8802.32, 0.00287967/step, 1.57006 hours remaining, 208.812500 MB of memory in use. ENERGY: 3037200 810.4283 2100.8687 1918.8264 99.2059 -206707.5989 17827.1411 0.0000 0.0000 34462.0735 -149489.0550 300.9659 -183951.1285 -149402.9360 299.1290 -231.2782 -201.5767 557018.3058 9.5219 9.7864 PRESSURE: 3037400 332.946 75.2279 46.9013 75.2294 65.5155 231.638 46.9022 231.637 265.793 GPRESSURE: 3037400 362.2 -19.1861 -12.0767 97.793 78.9325 294.415 134.076 130.613 324.08 PRESSAVG: 3037400 -5.57359 -31.9869 -53.1549 -31.9868 26.1354 -12.7645 -53.155 -12.7644 1.68625 GPRESSAVG: 3037400 -6.76942 -30.7001 -54.2371 -31.3897 26.6052 -10.381 -52.6246 -13.8227 2.2692 TIMING: 3037400 CPU: 8802.89, 0.00289045/step Wall: 8802.89, 0.00289045/step, 1.57578 hours remaining, 208.949219 MB of memory in use. ENERGY: 3037400 731.1146 2092.5759 1945.8944 97.6535 -206621.9415 18129.9076 0.0000 0.0000 34158.5926 -149466.2029 298.3155 -183624.7956 -149365.9073 299.1754 221.4183 255.0711 556950.2884 7.4160 7.3683 PRESSURE: 3037600 -206.681 -158.314 -44.3242 -158.315 84.595 -112.245 -44.3246 -112.244 28.9948 GPRESSURE: 3037600 -183.024 -151.541 -46.3469 -143.379 98.0063 -141.751 -63.5695 -95.1179 79.8903 PRESSAVG: 3037600 14.276 -33.4346 6.94534 -33.4346 52.0237 -7.99052 6.9454 -7.99061 -56.928 GPRESSAVG: 3037600 14.947 -33.759 7.19812 -32.9368 52.6681 -8.30908 5.44764 -9.8943 -57.6325 TIMING: 3037600 CPU: 8803.47, 0.00289689/step Wall: 8803.47, 0.00289689/step, 1.57913 hours remaining, 208.949219 MB of memory in use. ENERGY: 3037600 759.1346 2125.5427 1915.9814 112.8328 -206422.7408 17904.1603 0.0000 0.0000 34393.0868 -149212.0024 300.3634 -183605.0891 -149112.3101 299.3078 -31.0304 -1.7091 557150.5392 3.1239 3.3275 PRESSURE: 3037800 207.81 0.270378 -170.2 0.270118 109.035 71.2364 -170.2 71.2358 96.9687 GPRESSURE: 3037800 219.619 5.21765 -83.5091 -29.1765 163.256 52.7014 -187.636 99.3265 133.448 PRESSAVG: 3037800 22.1751 3.82112 13.0724 3.82102 3.57821 -13.3444 13.0724 -13.3444 36.131 GPRESSAVG: 3037800 21.8135 2.66316 14.9267 3.79115 2.48242 -13.2734 12.9617 -12.5435 37.0425 TIMING: 3037800 CPU: 8804.05, 0.00287761/step Wall: 8804.05, 0.00287761/step, 1.56846 hours remaining, 208.949219 MB of memory in use. ENERGY: 3037800 773.9240 2070.0931 1963.8278 116.0566 -206660.4777 18243.4680 0.0000 0.0000 34284.2023 -149208.9059 299.4125 -183493.1082 -149115.4469 299.5161 137.9379 172.1078 557581.7725 20.6281 20.4461 PRESSURE: 3038000 36.2681 35.7537 -99.5747 35.7543 -92.0875 -22.5949 -99.5755 -22.5967 -138.857 GPRESSURE: 3038000 30.0723 -81.7232 -94.7459 174.811 -61.4477 -15.2421 -131.747 -36.5208 -54.4436 PRESSAVG: 3038000 1.35028 63.0681 8.73403 63.0681 -51.0201 -0.216984 8.73399 -0.216991 55.2901 GPRESSAVG: 3038000 1.4598 63.4594 8.04179 63.4407 -49.8456 0.508228 8.63284 0.179873 54.7293 TIMING: 3038000 CPU: 8804.63, 0.0028974/step Wall: 8804.63, 0.0028974/step, 1.57908 hours remaining, 208.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3038000 757.6531 2097.9553 1950.9123 105.8999 -206256.9737 17836.5617 0.0000 0.0000 34433.2056 -149074.7859 300.7137 -183507.9915 -148977.3466 299.5343 -64.8922 -28.6063 559044.2413 1.8734 2.1145 PRESSURE: 3038200 -160.123 139.563 35.1221 139.563 -276.149 -49.7143 35.123 -49.7152 90.8458 GPRESSURE: 3038200 -84.0059 173.148 -4.81341 158.189 -273.886 -114.357 32.0227 -85.2986 112.894 PRESSAVG: 3038200 -56.2178 -17.0283 -75.8674 -17.0284 2.65483 -13.9859 -75.8673 -13.9859 37.472 GPRESSAVG: 3038200 -55.2122 -18.1724 -77.361 -16.8502 2.19078 -14.4654 -74.9187 -13.7407 37.0008 TIMING: 3038200 CPU: 8805.21, 0.00289412/step Wall: 8805.21, 0.00289412/step, 1.57714 hours remaining, 208.949219 MB of memory in use. ENERGY: 3038200 724.4977 2029.4018 1953.8391 114.5678 -206003.5821 17683.1289 0.0000 0.0000 34429.1502 -149068.9966 300.6783 -183498.1468 -148972.5912 299.6835 -115.1419 -81.6657 558690.7474 -5.3637 -5.3402 PRESSURE: 3038400 163.383 79.1615 13.5847 79.1613 114.326 -109.539 13.5857 -109.539 52.0221 GPRESSURE: 3038400 214.757 18.3118 -36.4954 136.555 190.83 -114.329 99.4817 -65.3121 31.043 PRESSAVG: 3038400 -33.0074 -4.4756 -34.3981 -4.47553 -12.2561 31.3203 -34.3981 31.3202 28.3503 GPRESSAVG: 3038400 -32.2118 -2.94245 -36.8394 -4.40658 -12.3851 30.7238 -33.2464 30.0574 28.3086 TIMING: 3038400 CPU: 8805.78, 0.00288303/step Wall: 8805.78, 0.00288303/step, 1.57093 hours remaining, 208.949219 MB of memory in use. ENERGY: 3038400 749.3050 2022.1480 1961.2235 105.1865 -206244.6708 17977.2297 0.0000 0.0000 34141.6309 -149287.9473 298.1674 -183429.5782 -149188.2769 298.7462 109.9102 145.5433 558596.2834 -5.6377 -5.4295 PRESSURE: 3038600 216.345 184.48 64.4687 184.479 25.6335 -53.5047 64.469 -53.506 316.139 GPRESSURE: 3038600 221.531 217.027 93.688 206.417 45.9399 -41.7333 35.402 -44.2884 387.654 PRESSAVG: 3038600 7.68339 21.5397 17.2255 21.5398 -45.9781 -14.9667 17.2256 -14.9668 33.6292 GPRESSAVG: 3038600 6.73515 21.7903 20.7203 20.2151 -46.7387 -14.0367 15.0073 -13.9501 34.6526 TIMING: 3038600 CPU: 8806.36, 0.00289393/step Wall: 8806.36, 0.00289393/step, 1.57671 hours remaining, 208.949219 MB of memory in use. ENERGY: 3038600 706.8752 2070.7226 1960.5456 119.4636 -206333.6433 18136.3196 0.0000 0.0000 34163.2013 -149176.5153 298.3557 -183339.7167 -149081.3712 298.6987 186.0390 218.3751 559094.3984 -1.5552 -1.7836 PRESSURE: 3038800 -89.616 -55.9327 46.7852 -55.9326 260.802 131.029 46.7836 131.031 -29.4923 GPRESSURE: 3038800 -33.6438 -67.0884 20.3688 14.9356 262.555 52.5212 -48.8555 180.202 14.1104 PRESSAVG: 3038800 -8.08527 -19.4723 74.2473 -19.4723 -1.97774 -21.073 74.2473 -21.0732 8.74802 GPRESSAVG: 3038800 -6.66348 -20.242 73.1322 -18.9459 -2.34421 -22.7477 75.1371 -19.5385 7.94349 TIMING: 3038800 CPU: 8806.94, 0.00287798/step Wall: 8806.94, 0.00287798/step, 1.56786 hours remaining, 208.949219 MB of memory in use. ENERGY: 3038800 720.8361 2138.4377 1943.6871 119.3816 -205969.6234 17798.5340 0.0000 0.0000 34202.7874 -149045.9594 298.7014 -183248.7468 -148953.6552 299.0759 47.2314 81.0071 559906.6482 -0.4383 -0.3547 PRESSURE: 3039000 -34.2045 -141.961 -60.6614 -141.961 9.24567 -53.7125 -60.6612 -53.7117 -480.317 GPRESSURE: 3039000 29.9631 -105.501 -37.2351 -108.632 23.3825 -95.4518 -81.4304 66.6633 -464.659 PRESSAVG: 3039000 -49.3209 -45.8998 8.56752 -45.8997 4.24228 26.5568 8.56752 26.5568 43.3814 GPRESSAVG: 3039000 -50.3734 -46.6781 8.28575 -45.5839 4.91612 26.2899 8.28089 25.014 43.8876 TIMING: 3039000 CPU: 8807.52, 0.00290715/step Wall: 8807.52, 0.00290715/step, 1.58359 hours remaining, 208.949219 MB of memory in use. ENERGY: 3039000 750.7131 2128.1211 1960.6524 127.4072 -206034.8281 17609.6618 0.0000 0.0000 34224.3829 -149233.8895 298.8900 -183458.2724 -149140.7021 299.0825 -168.4253 -137.1045 559584.9258 -0.5657 -0.5232 PRESSURE: 3039200 42.6336 -122.356 -92.1272 -122.356 -49.5198 -1.16475 -92.1274 -1.16573 93.1706 GPRESSURE: 3039200 67.9183 -97.4608 -23.305 -89.7057 7.95364 42.9637 -145.361 1.00799 104.808 PRESSAVG: 3039200 21.8412 -0.551285 27.5592 -0.551272 93.8004 43.3473 27.5593 43.3471 -61.4354 GPRESSAVG: 3039200 21.5315 0.524622 26.0729 -1.58871 95.7307 43.1312 28.1302 42.0026 -62.502 TIMING: 3039200 CPU: 8808.1, 0.00289722/step Wall: 8808.1, 0.00289722/step, 1.57802 hours remaining, 208.949219 MB of memory in use. ENERGY: 3039200 753.4171 2103.0736 1967.4090 126.0393 -206325.7023 17941.2797 0.0000 0.0000 34376.4378 -149058.0457 300.2180 -183434.4835 -148960.0178 299.2225 28.7615 60.2267 557639.5870 18.0687 18.2534 PRESSURE: 3039400 -208.516 -23.8586 -15.3565 -23.8587 -227.388 101.579 -15.3585 101.579 -84.8269 GPRESSURE: 3039400 -171.169 30.2646 78.2439 -144.189 -152.49 100.698 6.58652 117.36 -96.1449 PRESSAVG: 3039400 -18.9506 -64.2604 13.9867 -64.2605 28.8328 3.64402 13.9867 3.64397 -9.07875 GPRESSAVG: 3039400 -17.9256 -63.6887 16.6 -65.6531 27.0682 6.53718 14.1556 3.09614 -8.27845 TIMING: 3039400 CPU: 8808.68, 0.00289672/step Wall: 8808.68, 0.00289672/step, 1.57758 hours remaining, 208.949219 MB of memory in use. ENERGY: 3039400 754.6252 2043.4375 1966.2670 109.1705 -205653.9297 17528.3531 0.0000 0.0000 34214.3806 -149037.6958 298.8027 -183252.0765 -148939.7809 299.3822 -173.5771 -139.9348 558086.7197 0.2678 0.2880 PRESSURE: 3039600 -134.976 -214.77 73.0291 -214.771 -91.0892 32.2529 73.0283 32.2523 98.2169 GPRESSURE: 3039600 -119.09 -283.205 75.5159 -196.889 -41.8811 32.3836 75.5915 -57.9156 111.379 PRESSAVG: 3039600 -39.7252 -10.8832 -14.7722 -10.8832 28.5189 60.989 -14.7722 60.9889 0.805081 GPRESSAVG: 3039600 -39.9674 -11.4309 -14.0274 -9.82058 28.9428 60.8688 -15.2039 61.0586 0.667017 TIMING: 3039600 CPU: 8809.26, 0.00290581/step Wall: 8809.26, 0.00290581/step, 1.58237 hours remaining, 208.949219 MB of memory in use. ENERGY: 3039600 736.6459 2113.4783 1971.0650 107.4525 -206051.4539 17737.1611 0.0000 0.0000 34343.3889 -149042.2622 299.9294 -183385.6511 -148954.0099 299.2390 -42.6163 -16.5307 558526.2465 -3.4671 -3.4525 PRESSURE: 3039800 -248.472 -26.7247 286.973 -26.7259 113.053 -137.134 286.973 -137.133 -28.8439 GPRESSURE: 3039800 -181.059 -100.29 284.653 1.55123 89.1754 -254.207 245.563 -80.7651 18.7308 PRESSAVG: 3039800 57.2268 -28.878 23.0612 -28.8781 -39.0769 13.1765 23.0612 13.1766 18.8448 GPRESSAVG: 3039800 56.9043 -30.302 21.6267 -28.9588 -38.864 13.483 24.8317 13.6557 18.4219 TIMING: 3039800 CPU: 8809.84, 0.00287954/step Wall: 8809.84, 0.00287954/step, 1.56791 hours remaining, 208.949219 MB of memory in use. ENERGY: 3039800 730.9012 2160.0411 1962.5487 115.9729 -206197.5271 17787.1488 0.0000 0.0000 34447.0793 -148993.8351 300.8349 -183440.9144 -148893.3016 299.7885 -54.7543 -24.3843 559133.5043 12.3316 12.1541 PRESSURE: 3040000 -281.449 76.9702 32.8951 76.9708 -38.2962 34.6704 32.8947 34.6694 -55.257 GPRESSURE: 3040000 -197.168 41.542 -58.6335 27.5555 -27.0475 53.5629 48.3883 2.27952 -32.1168 PRESSAVG: 3040000 -33.2041 -8.4818 -4.62547 -8.48182 -28.217 -27.2761 -4.62553 -27.2762 66.967 GPRESSAVG: 3040000 -32.4789 -8.38824 -6.48392 -7.84399 -28.635 -28.8828 -2.51885 -26.9788 65.9371 TIMING: 3040000 CPU: 8810.41, 0.002859/step Wall: 8810.41, 0.002859/step, 1.55657 hours remaining, 208.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3040000 689.0871 2107.0734 1929.4896 117.2679 -205790.9585 17626.9677 0.0000 0.0000 34364.6892 -148956.3836 300.1154 -183321.0728 -148859.0815 300.0882 -125.0006 -85.4441 558625.5835 1.8486 1.6078 PRESSURE: 3040200 -142.309 -119.775 163.549 -119.775 -16.5604 108.509 163.549 108.509 -434.564 GPRESSURE: 3040200 -100.224 -177.815 149.42 -94.0231 -3.47247 113.205 226.403 -13.1664 -390.3 PRESSAVG: 3040200 29.2401 64.0387 17.4112 64.0387 -30.6005 -32.1482 17.4111 -32.1481 31.2826 GPRESSAVG: 3040200 27.4201 64.613 19.7058 63.9018 -29.6728 -30.7893 13.223 -31.8085 32.1109 TIMING: 3040200 CPU: 8810.98, 0.0028669/step Wall: 8810.98, 0.0028669/step, 1.56071 hours remaining, 208.949219 MB of memory in use. ENERGY: 3040200 765.9295 2075.9470 1951.7802 138.3828 -205426.8291 17340.9838 0.0000 0.0000 34248.5113 -148905.2945 299.1008 -183153.8058 -148805.0076 299.9651 -197.8110 -164.6656 557618.8807 9.9740 9.9527 LDB: ============= START OF LOAD BALANCING ============== 8814.37 LDB: ============== END OF LOAD BALANCING =============== 8814.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8814.37 LDB: ============= START OF LOAD BALANCING ============== 8814.66 LDB: Largest compute 4800 load 0.025754 is 21.8% of average load 0.117900 LDB: Average compute 0.001737 is 1.5% of average load 0.117900 LDB: TIME 8814.66 LOAD: AVG 0.1179 MAX 0.179131 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.777 MB LDB: TIME 8814.66 LOAD: AVG 0.1179 MAX 0.179131 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.777 MB LDB: TIME 8814.66 LOAD: AVG 0.1179 MAX 0.179131 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.777 MB LDB: ============== END OF LOAD BALANCING =============== 8814.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8814.67 PRESSURE: 3040400 -232.449 -167.673 -116.672 -167.674 -17.5321 185.918 -116.672 185.918 -514.02 GPRESSURE: 3040400 -87.0607 -215.757 3.62785 -173.125 -56.4581 141.192 -180.929 181.446 -521.811 PRESSAVG: 3040400 -7.13412 3.67467 39.0376 3.67472 44.4206 -2.08944 39.0377 -2.08935 -35.5457 GPRESSAVG: 3040400 -5.99231 2.18071 39.5076 3.75662 43.4919 -3.32853 38.3154 -1.64707 -35.9516 TIMING: 3040400 CPU: 8811.57, 0.00294081/step Wall: 8811.57, 0.00294081/step, 1.60078 hours remaining, 208.027344 MB of memory in use. ENERGY: 3040400 753.0414 2023.2322 1968.9917 124.5978 -205451.0719 17419.1089 0.0000 0.0000 34267.5993 -148894.5006 299.2675 -183162.0999 -148796.5112 299.4739 -254.6669 -221.7764 558200.3613 0.5803 0.5160 PRESSURE: 3040600 93.5288 48.084 52.5748 48.0852 7.86575 -23.5559 52.5756 -23.5554 -101.518 GPRESSURE: 3040600 131.006 49.1175 112.217 -107.391 67.4109 -74.5843 -18.7778 -10.0662 -106.214 PRESSAVG: 3040600 22.8957 -1.84768 17.8628 -1.84769 -32.6998 -37.6905 17.8628 -37.6905 -10.2581 GPRESSAVG: 3040600 22.4529 -0.611023 14.6584 -1.90286 -32.1162 -38.5192 20.9415 -39.1961 -10.9592 TIMING: 3040600 CPU: 8812.15, 0.00290791/step Wall: 8812.15, 0.00290791/step, 1.58271 hours remaining, 208.027344 MB of memory in use. ENERGY: 3040600 725.3342 2019.2347 1959.1988 118.7067 -205924.9468 17716.4021 0.0000 0.0000 34496.9747 -148889.0957 301.2707 -183386.0703 -148793.5592 300.1385 -0.0411 30.7342 557593.2537 -6.6874 -6.8742 PRESSURE: 3040800 -94.8392 -2.8485 226.366 -2.84864 -5.14817 -2.10857 226.365 -2.10758 -51.2758 GPRESSURE: 3040800 -88.4452 30.633 242.458 4.17131 24.8251 61.0198 208.203 -10.9333 14.3663 PRESSAVG: 3040800 -46.8632 -34.7885 14.2419 -34.7885 54.3357 28.992 14.2419 28.992 -28.0885 GPRESSAVG: 3040800 -47.4871 -34.0082 16.9804 -34.5387 52.6745 28.4504 13.8135 30.0172 -25.9196 TIMING: 3040800 CPU: 8812.73, 0.00288564/step Wall: 8812.73, 0.00288564/step, 1.57043 hours remaining, 208.027344 MB of memory in use. ENERGY: 3040800 757.0724 2139.2816 1951.6981 114.9465 -206286.2410 17839.2282 0.0000 0.0000 34506.5254 -148977.4886 301.3541 -183484.0140 -148878.8782 300.2604 -50.4211 -16.4179 558155.3837 -6.8720 -6.9107 PRESSURE: 3041000 -118.099 -269.151 55.6983 -269.15 -178.687 -58.3058 55.6962 -58.304 31.3484 GPRESSURE: 3041000 -111.776 -247.715 62.1633 -176.557 -90.4904 -122.171 122.53 -142.946 26.4521 PRESSAVG: 3041000 -11.4749 -11.0209 38.6653 -11.0209 -2.26796 -2.80328 38.6653 -2.80307 36.2686 GPRESSAVG: 3041000 -10.5325 -11.3019 37.421 -11.3955 -1.49948 -2.12273 39.29 -1.8436 34.2761 TIMING: 3041000 CPU: 8813.3, 0.00287179/step Wall: 8813.3, 0.00287179/step, 1.56273 hours remaining, 208.285156 MB of memory in use. ENERGY: 3041000 748.1103 2104.5055 1941.6494 113.6523 -205755.9801 17499.6623 0.0000 0.0000 34382.6328 -148965.7675 300.2721 -183348.4003 -148866.1572 299.5903 -88.4792 -58.6046 556550.2739 7.5086 7.4147 PRESSURE: 3041200 4.13288 -159.144 22.9006 -159.146 -82.3265 64.9568 22.9012 64.9566 -97.3946 GPRESSURE: 3041200 52.4037 -205.972 96.6362 -135.592 -101.077 19.3517 -0.930727 62.3743 -26.1858 PRESSAVG: 3041200 29.2981 -45.732 40.4198 -45.7321 -66.921 -44.2285 40.4198 -44.2284 13.7048 GPRESSAVG: 3041200 28.5458 -45.704 40.0468 -45.4708 -66.4198 -44.5989 39.545 -43.7768 13.6558 TIMING: 3041200 CPU: 8813.88, 0.00287476/step Wall: 8813.88, 0.00287476/step, 1.56419 hours remaining, 208.285156 MB of memory in use. ENERGY: 3041200 714.5682 2098.3440 1943.5357 111.3393 -206178.1294 17783.0902 0.0000 0.0000 34521.7231 -149005.5289 301.4868 -183527.2520 -148900.2720 300.0905 -58.5294 -24.9530 556448.7684 -7.9727 -8.0727 PRESSURE: 3041400 -177.46 28.3943 31.2679 28.3935 -188.352 -200.243 31.2703 -200.243 -50.0688 GPRESSURE: 3041400 -130.282 2.8369 5.67603 37.9213 -172.38 -129.323 43.3565 -188.504 -19.7969 PRESSAVG: 3041400 -7.48506 -19.3352 -20.861 -19.3352 8.6154 -69.3915 -20.8609 -69.3915 6.13706 GPRESSAVG: 3041400 -7.87931 -19.2975 -18.5793 -19.5042 8.45866 -70.1307 -21.5094 -69.5657 6.6031 TIMING: 3041400 CPU: 8814.45, 0.0028729/step Wall: 8814.45, 0.0028729/step, 1.56302 hours remaining, 208.285156 MB of memory in use. ENERGY: 3041400 740.5286 2105.5155 1993.7647 111.0379 -205870.8967 17503.3679 0.0000 0.0000 34182.2139 -149234.4682 298.5218 -183416.6821 -149139.7587 299.6976 -138.6268 -107.4864 558036.3849 2.4225 2.3941 PRESSURE: 3041600 -222.432 -32.9785 103.877 -32.9796 -26.9025 -163.529 103.877 -163.529 -497.502 GPRESSURE: 3041600 -197.714 -85.6687 63.2579 -0.775769 2.35804 -92.201 149.293 -215.3 -460.837 PRESSAVG: 3041600 9.91346 -38.6488 -27.6944 -38.6489 -23.4268 1.42738 -27.6945 1.42729 6.00148 GPRESSAVG: 3041600 10.8202 -37.2017 -29.3742 -40.8273 -24.9716 1.84281 -27.4446 1.10322 6.93359 TIMING: 3041600 CPU: 8815.02, 0.00286338/step Wall: 8815.02, 0.00286338/step, 1.55768 hours remaining, 208.285156 MB of memory in use. ENERGY: 3041600 733.0937 2083.0286 1960.6680 118.7635 -205824.0667 17452.8159 0.0000 0.0000 34266.1472 -149209.5498 299.2548 -183475.6970 -149117.9729 299.4789 -248.9453 -218.7311 557649.9632 -2.5039 -2.4059 PRESSURE: 3041800 166.817 11.1668 -67.5095 11.1672 -195.098 -18.7309 -67.5087 -18.7316 -11.7905 GPRESSURE: 3041800 167.708 81.7246 -71.975 27.2476 -157.94 -23.0171 -93.4614 -96.9211 57.8294 PRESSAVG: 3041800 -29.6421 -24.8379 0.412134 -24.8381 -19.7866 -58.9818 0.412165 -58.9818 -1.79659 GPRESSAVG: 3041800 -30.8013 -26.4454 -0.202749 -23.0398 -18.8834 -58.4466 0.903306 -58.2581 -2.0325 TIMING: 3041800 CPU: 8815.6, 0.00288548/step Wall: 8815.6, 0.00288548/step, 1.56954 hours remaining, 208.285156 MB of memory in use. ENERGY: 3041800 760.2141 2064.6757 1987.0412 110.5450 -206509.6013 17823.2453 0.0000 0.0000 34382.8425 -149381.0374 300.2739 -183763.8800 -149292.2437 299.2605 -13.3572 22.5323 555839.2487 -17.0751 -17.2391 PRESSURE: 3042000 83.1356 -6.17136 20.5119 -6.16925 150.98 95.5018 20.5117 95.5054 82.9375 GPRESSURE: 3042000 90.3528 -57.3449 54.2786 8.45301 228.393 79.5668 -0.00543666 117.82 103.776 PRESSAVG: 3042000 -33.0216 -23.7561 33.691 -23.7561 55.7013 -18.0196 33.6911 -18.0195 -4.15539 GPRESSAVG: 3042000 -33.176 -23.0122 35.5618 -23.9951 55.836 -18.2762 34.3317 -18.5411 -3.80947 TIMING: 3042000 CPU: 8816.18, 0.00289256/step Wall: 8816.18, 0.00289256/step, 1.57323 hours remaining, 208.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3042000 769.7812 2070.0124 1970.4246 108.8098 -206418.2134 17971.0024 0.0000 0.0000 34071.5060 -149456.6771 297.5549 -183528.1831 -149359.7922 299.2173 105.6845 140.8405 555736.2057 6.1748 6.2835 PRESSURE: 3042200 -29.9245 155.919 -44.374 155.919 -159.131 28.7057 -44.3749 28.706 -71.2343 GPRESSURE: 3042200 43.1418 218.824 -66.4195 48.1959 -145.673 75.0059 -72.6301 -59.2755 -73.12 PRESSAVG: 3042200 51.2587 14.5215 37.8253 14.5215 -4.28718 -30.9242 37.8253 -30.9242 -23.3086 GPRESSAVG: 3042200 52.2698 14.3905 35.3011 14.2143 -4.10402 -30.0574 39.2809 -31.1656 -24.2943 TIMING: 3042200 CPU: 8816.76, 0.00287972/step Wall: 8816.76, 0.00287972/step, 1.56609 hours remaining, 208.285156 MB of memory in use. ENERGY: 3042200 781.7736 2082.5728 1959.6174 122.4945 -206044.9768 17858.0455 0.0000 0.0000 33939.0704 -149301.4027 296.3983 -183240.4731 -149214.8225 298.8350 -86.7633 -58.5502 557588.3943 7.8876 7.9572 PRESSURE: 3042400 23.8082 -76.3491 -4.10703 -76.3496 -150.683 59.3173 -4.1082 59.3177 2.44571 GPRESSURE: 3042400 39.9596 -72.457 -51.8677 4.33589 -72.9918 33.3725 41.6796 154.082 3.97238 PRESSAVG: 3042400 -56.2096 -9.51645 31.301 -9.51649 20.3272 31.9393 31.301 31.9394 37.8765 GPRESSAVG: 3042400 -57.0555 -10.6159 32.6976 -7.24922 21.1273 30.2327 29.1847 31.9615 37.5638 TIMING: 3042400 CPU: 8817.33, 0.00287941/step Wall: 8817.33, 0.00287941/step, 1.56576 hours remaining, 208.285156 MB of memory in use. ENERGY: 3042400 754.7778 2104.0770 1969.4624 108.7825 -206130.5409 17753.7974 0.0000 0.0000 34180.1040 -149259.5398 298.5033 -183439.6439 -149157.0507 298.3695 -41.4764 -9.6866 558856.6262 0.6647 0.5452 PRESSURE: 3042600 180.249 -82.1386 -80.026 -82.1388 -18.9895 -26.8385 -80.0256 -26.8387 198.456 GPRESSURE: 3042600 190.955 -68.0489 -96.2135 8.12136 38.8641 -89.5799 -8.93284 5.9562 222.709 PRESSAVG: 3042600 47.1663 -25.1266 -5.50542 -25.1267 -26.6335 46.9374 -5.50538 46.9373 -37.5765 GPRESSAVG: 3042600 47.3238 -24.9854 -4.06775 -24.7074 -26.9671 47.4517 -7.00963 46.2821 -37.0309 TIMING: 3042600 CPU: 8817.91, 0.00288998/step Wall: 8817.91, 0.00288998/step, 1.57135 hours remaining, 208.285156 MB of memory in use. ENERGY: 3042600 707.7195 2116.9169 1973.5474 112.2233 -206564.5250 18163.8334 0.0000 0.0000 34191.7229 -149298.5616 298.6048 -183490.2844 -149198.4295 299.1149 119.9053 150.8428 558282.9710 -5.6812 -5.5581 PRESSURE: 3042800 -6.56474 144.329 -205.365 144.327 -77.6315 -181.577 -205.365 -181.577 -19.6591 GPRESSURE: 3042800 45.8348 148.294 -218.997 162.996 -53.8725 -253.856 -145.084 -170.516 12.9923 PRESSAVG: 3042800 -3.88269 2.91505 28.9398 2.91502 7.94833 -32.0406 28.9398 -32.0407 -44.4846 GPRESSAVG: 3042800 -4.87332 2.66134 26.4817 2.80434 8.52278 -32.8234 30.2549 -32.7829 -43.5499 TIMING: 3042800 CPU: 8818.49, 0.00288761/step Wall: 8818.49, 0.00288761/step, 1.5699 hours remaining, 208.285156 MB of memory in use. ENERGY: 3042800 728.3034 2074.0048 1969.1802 122.4589 -206136.8433 17765.6588 0.0000 0.0000 34144.8851 -149332.3520 298.1958 -183477.2372 -149231.6238 298.7674 -34.6184 1.6516 558144.1616 -13.4730 -13.3001 PRESSURE: 3043000 22.2311 282.931 -43.1502 282.932 -15.7173 -154.883 -43.15 -154.882 23.2671 GPRESSURE: 3043000 62.4536 249.398 -7.8623 289.436 22.4287 -245.8 -107.043 -133.273 37.7014 PRESSAVG: 3043000 31.4568 -5.12468 -24.3432 -5.1246 32.9042 -75.8076 -24.3432 -75.8075 -18.8991 GPRESSAVG: 3043000 33.6884 -3.91248 -23.4946 -7.31453 31.5303 -72.3921 -25.7597 -75.984 -19.7478 TIMING: 3043000 CPU: 8819.07, 0.00290338/step Wall: 8819.07, 0.00290338/step, 1.57831 hours remaining, 208.285156 MB of memory in use. ENERGY: 3043000 739.7632 2037.5464 1989.1464 124.2042 -206404.7116 17966.7205 0.0000 0.0000 34197.3309 -149349.9999 298.6538 -183547.3309 -149254.4902 298.8871 9.9269 40.8612 558321.8375 15.1539 15.1570 PRESSURE: 3043200 25.9058 110.906 25.2204 110.907 14.2253 90.8153 25.221 90.8161 -42.4518 GPRESSURE: 3043200 114.787 133.415 31.1501 107.203 58.5046 37.9749 -21.6946 59.7488 -69.2868 PRESSAVG: 3043200 10.5784 48.745 43.2826 48.745 5.50864 -67.5557 43.2825 -67.5557 -31.8842 GPRESSAVG: 3043200 10.5925 46.7596 43.2352 50.7421 6.12009 -69.0284 43.1756 -67.5031 -32.3371 TIMING: 3043200 CPU: 8819.65, 0.00290494/step Wall: 8819.65, 0.00290494/step, 1.579 hours remaining, 208.285156 MB of memory in use. ENERGY: 3043200 722.9565 2114.4105 1954.2885 110.3752 -206201.2628 17940.8290 0.0000 0.0000 34097.8377 -149260.5653 297.7849 -183358.4030 -149164.0610 298.6976 -0.7735 34.6682 557582.5696 -5.2657 -5.2082 PRESSURE: 3043400 -109.154 -19.3517 73.692 -19.3534 3.15321 76.0177 73.6902 76.0186 -99.9416 GPRESSURE: 3043400 -85.2435 -4.49304 67.6119 -32.8264 10.322 116.646 134.891 101.566 -33.2203 PRESSAVG: 3043400 0.911239 -30.4259 1.23105 -30.4258 74.1164 -30.01 1.23108 -30.0099 -37.5211 GPRESSAVG: 3043400 1.14062 -27.9493 2.15457 -33.7287 73.7532 -32.1236 2.80967 -27.9198 -37.6568 TIMING: 3043400 CPU: 8820.23, 0.00289402/step Wall: 8820.23, 0.00289402/step, 1.5729 hours remaining, 208.285156 MB of memory in use. ENERGY: 3043400 736.4436 2069.2099 1950.6683 117.9122 -206495.6989 17941.8014 0.0000 0.0000 34244.7093 -149434.9543 299.0676 -183679.6637 -149338.2186 298.7631 -68.6475 -36.0472 557897.1669 12.5022 12.4123 PRESSURE: 3043600 177.77 -33.049 8.93592 -33.0483 18.0879 60.78 8.93629 60.7795 72.7173 GPRESSURE: 3043600 225.743 -69.6258 66.1562 30.0304 30.7735 69.3023 31.5458 -4.44898 96.2439 PRESSAVG: 3043600 -39.0215 -43.7239 -50.6083 -43.7239 44.0424 -47.4723 -50.6083 -47.4722 -17.8742 GPRESSAVG: 3043600 -40.5768 -45.1225 -50.9823 -40.077 44.7942 -46.1809 -50.2579 -50.7323 -17.1806 TIMING: 3043600 CPU: 8820.8, 0.00285192/step Wall: 8820.8, 0.00285192/step, 1.54986 hours remaining, 208.285156 MB of memory in use. ENERGY: 3043600 765.2410 2079.3939 1962.5528 114.7663 -206766.7118 18160.5275 0.0000 0.0000 34329.8173 -149354.4131 299.8108 -183684.2304 -149254.7473 299.1108 89.5252 117.5867 556457.4800 -4.2844 -4.3211 PRESSURE: 3043800 -103.011 -1.56158 -43.6638 -1.56172 180.243 -29.7975 -43.6641 -29.7965 -39.6848 GPRESSURE: 3043800 -75.5955 -93.1407 -38.2638 68.0978 270.236 66.5381 -16.5494 -124.952 -45.1826 PRESSAVG: 3043800 -13.297 7.22243 -19.0271 7.2225 37.6352 -30.277 -19.027 -30.2769 -14.6968 GPRESSAVG: 3043800 -12.9824 8.05739 -18.3583 6.18117 38.1764 -30.6648 -19.4114 -27.6992 -15.9873 TIMING: 3043800 CPU: 8821.38, 0.00289686/step Wall: 8821.38, 0.00289686/step, 1.57412 hours remaining, 208.285156 MB of memory in use. ENERGY: 3043800 777.8447 2101.3081 1954.7925 107.2310 -206987.3392 18205.3372 0.0000 0.0000 34516.6512 -149324.1745 301.4425 -183840.8257 -149225.6082 299.0483 12.5156 49.8194 557826.2583 3.2138 3.0689 PRESSURE: 3044000 135.531 -39.1018 13.4768 -39.1016 111.76 -64.0349 13.4748 -64.0333 -88.2564 GPRESSURE: 3044000 164.691 54.3056 61.8628 -57.1977 171.904 -26.935 -75.5353 22.4802 -82.5318 PRESSAVG: 3044000 -19.5617 44.8083 -4.47613 44.8082 -1.47041 34.9629 -4.47619 34.9629 -0.200601 GPRESSAVG: 3044000 -19.1472 43.0073 -3.73923 45.3332 -2.25447 36.8816 -7.35968 32.4027 -0.258429 TIMING: 3044000 CPU: 8821.96, 0.00289436/step Wall: 8821.96, 0.00289436/step, 1.5726 hours remaining, 208.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3044000 755.0092 2125.6414 1956.3046 117.0986 -206156.1944 17873.0163 0.0000 0.0000 34094.5974 -149234.5269 297.7566 -183329.1243 -149140.4081 299.1235 53.0117 84.6878 556818.3811 -7.0776 -7.2200 PRESSURE: 3044200 -97.4467 119.765 126.123 119.765 83.0852 -216.167 126.122 -216.166 -26.8717 GPRESSURE: 3044200 -71.0651 78.7467 93.3068 58.7085 102.133 -269.437 99.0512 -222.666 39.2674 PRESSAVG: 3044200 -85.0963 7.3768 62.0984 7.37682 108.201 5.68925 62.0984 5.68927 -39.6928 GPRESSAVG: 3044200 -85.347 10.5182 61.3988 6.28419 107.944 3.6878 63.494 8.77308 -38.9225 TIMING: 3044200 CPU: 8822.53, 0.00287094/step Wall: 8822.53, 0.00287094/step, 1.55972 hours remaining, 208.285156 MB of memory in use. ENERGY: 3044200 733.9429 2109.4886 1958.5869 111.1827 -206185.6817 17766.8848 0.0000 0.0000 34233.3133 -149272.2826 298.9680 -183505.5958 -149171.6190 298.8194 -13.7444 23.4451 556583.0327 -5.5293 -5.4419 LDB: ============= START OF LOAD BALANCING ============== 8825.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8825.92 LDB: =============== DONE WITH MIGRATION ================ 8825.92 LDB: ============= START OF LOAD BALANCING ============== 8826.21 LDB: Largest compute 4800 load 0.025972 is 22.0% of average load 0.117852 LDB: Average compute 0.001739 is 1.5% of average load 0.117852 LDB: TIME 8826.21 LOAD: AVG 0.117852 MAX 0.178567 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.496 MB LDB: TIME 8826.21 LOAD: AVG 0.117852 MAX 0.178567 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.531 MB LDB: TIME 8826.21 LOAD: AVG 0.117852 MAX 0.178567 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.531 MB LDB: ============== END OF LOAD BALANCING =============== 8826.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8826.21 PRESSURE: 3044400 -119.508 45.3526 94.3917 45.3516 -326.681 -235.081 94.3917 -235.082 -224.034 GPRESSURE: 3044400 -100.642 13.8175 139.206 31.0779 -274.417 -217.407 55.9961 -190.999 -199.644 PRESSAVG: 3044400 24.8459 7.01304 34.915 7.01307 -12.9432 -42.2902 34.9151 -42.2901 -20.9623 GPRESSAVG: 3044400 24.6297 3.35277 35.0167 9.40955 -13.291 -41.7941 35.153 -43.1338 -20.959 TIMING: 3044400 CPU: 8823.12, 0.00293939/step Wall: 8823.12, 0.00293939/step, 1.59674 hours remaining, 209.828125 MB of memory in use. ENERGY: 3044400 740.5742 2083.9990 1979.9767 113.2089 -205911.1096 17507.7295 0.0000 0.0000 34273.2193 -149212.4020 299.3165 -183485.6213 -149113.4961 299.3992 -223.4075 -191.5678 558683.8966 -3.0199 -3.2068 PRESSURE: 3044600 -35.1495 -19.2201 -125.206 -19.2201 86.8459 77.2542 -125.206 77.2532 -61.3553 GPRESSURE: 3044600 -26.6082 0.400208 -132.381 -39.6189 137.175 73.1832 -142.134 57.8106 -14.1965 PRESSAVG: 3044600 15.0901 15.6742 32.8738 15.6741 31.902 -46.641 32.8738 -46.641 -22.3304 GPRESSAVG: 3044600 15.2232 19.5928 31.1666 13.2128 31.0391 -43.9285 32.4944 -48.3233 -22.3477 TIMING: 3044600 CPU: 8823.7, 0.00290898/step Wall: 8823.7, 0.00290898/step, 1.58006 hours remaining, 210.156250 MB of memory in use. ENERGY: 3044600 729.0708 2092.3133 1959.5615 115.0441 -206349.4144 17972.0175 0.0000 0.0000 34110.3619 -149371.0453 297.8943 -183481.4072 -149275.9733 299.1008 -3.2196 32.1234 559034.4947 8.2206 7.9715 PRESSURE: 3044800 208.072 -37.0092 114.357 -37.0084 50.6882 68.4183 114.357 68.4167 -30.3211 GPRESSURE: 3044800 206.637 -94.0422 -18.8328 13.2266 126.174 112.513 152.638 97.174 -6.79717 PRESSAVG: 3044800 101.815 43.1243 10.2766 43.1242 -29.602 11.7189 10.2768 11.7191 -95.3384 GPRESSAVG: 3044800 101.705 42.4678 11.7536 43.331 -29.767 7.73141 11.7327 12.5166 -95.035 TIMING: 3044800 CPU: 8824.28, 0.00290288/step Wall: 8824.28, 0.00290288/step, 1.57659 hours remaining, 210.156250 MB of memory in use. ENERGY: 3044800 738.6938 2081.7249 1930.5960 113.3910 -206522.4622 18001.0805 0.0000 0.0000 34297.3873 -149359.5888 299.5276 -183656.9761 -149268.2483 298.9328 76.1464 108.6713 557493.9006 -7.7085 -7.6992 PRESSURE: 3045000 -341.5 -7.29337 -132.292 -7.29289 -585.762 -68.4627 -132.292 -68.4613 -390.26 GPRESSURE: 3045000 -266.224 -15.3764 -192.99 13.3194 -564.096 -121.191 -49.1733 -13.401 -383.533 PRESSAVG: 3045000 36.5104 -28.4475 40.9616 -28.4475 5.21105 18.0377 40.9615 18.0376 -44.6895 GPRESSAVG: 3045000 36.0857 -28.8404 40.419 -29.1246 6.04098 20.0506 40.5372 15.6623 -45.0411 TIMING: 3045000 CPU: 8824.86, 0.00290212/step Wall: 8824.86, 0.00290212/step, 1.57601 hours remaining, 210.183594 MB of memory in use. ENERGY: 3045000 813.1685 2050.8782 1934.5952 115.8344 -205642.7543 17245.8456 0.0000 0.0000 34042.1225 -149440.3099 297.2983 -183482.4324 -149345.1285 299.4985 -439.1741 -404.6180 558693.0964 -0.9893 -0.9715 PRESSURE: 3045200 -22.4152 -34.2399 65.4932 -34.2404 -29.2012 -118.439 65.4914 -118.439 -162.744 GPRESSURE: 3045200 -9.1855 -64.1087 10.3329 -1.28954 33.5854 -83.5762 33.4028 -138.764 -146.267 PRESSAVG: 3045200 -16.0811 0.415711 20.1232 0.415654 -8.71309 9.22674 20.1231 9.2267 -14.7989 GPRESSAVG: 3045200 -16.0285 2.13013 20.8786 -1.53105 -9.04675 9.19141 19.094 13.1048 -14.7128 TIMING: 3045200 CPU: 8825.44, 0.00288282/step Wall: 8825.44, 0.00288282/step, 1.56537 hours remaining, 210.183594 MB of memory in use. ENERGY: 3045200 777.7459 2090.5141 1939.8413 118.8936 -206307.0632 17764.4249 0.0000 0.0000 34245.1073 -149370.5360 299.0710 -183615.6433 -149272.0549 298.4754 -71.4534 -40.6224 556665.9538 -13.1977 -13.2627 PRESSURE: 3045400 -143.516 116.958 -46.8848 116.957 110.386 13.881 -46.885 13.8834 39.0713 GPRESSURE: 3045400 -118.931 179.877 -68.4535 76.5394 139.356 -53.2259 32.9809 -49.3031 85.8712 PRESSAVG: 3045400 -12.7881 38.378 -24.3029 38.3779 30.9082 -11.409 -24.303 -11.4091 8.01741 GPRESSAVG: 3045400 -13.3066 37.4262 -25.2614 42.0592 31.9397 -13.4169 -23.1957 -11.3703 6.88784 TIMING: 3045400 CPU: 8826.02, 0.00291333/step Wall: 8826.02, 0.00291333/step, 1.58178 hours remaining, 210.183594 MB of memory in use. ENERGY: 3045400 718.6295 2100.2411 1930.9901 116.5886 -206398.5016 17730.3973 0.0000 0.0000 34168.4941 -149633.1610 298.4020 -183801.6551 -149530.5707 298.6168 1.9804 35.4319 555795.5807 8.7125 8.5070 PRESSURE: 3045600 87.2169 -34.9339 45.6896 -34.9338 -168.802 59.4676 45.6894 59.4659 177.136 GPRESSURE: 3045600 133.04 -74.2028 68.7451 42.7178 -51.4764 121.712 57.8987 73.1772 112.917 PRESSAVG: 3045600 18.7561 -0.00862378 -86.4791 -0.00868695 -17.6833 -38.4837 -86.4792 -38.4836 -14.0473 GPRESSAVG: 3045600 18.4445 0.416133 -86.1665 -0.572097 -17.876 -35.5684 -87.2406 -39.8873 -14.1264 TIMING: 3045600 CPU: 8826.6, 0.00290814/step Wall: 8826.6, 0.00290814/step, 1.5788 hours remaining, 210.183594 MB of memory in use. ENERGY: 3045600 752.3482 2069.3176 1979.1722 112.3514 -206294.0436 17731.9533 0.0000 0.0000 34093.7839 -149555.1170 297.7495 -183648.9009 -149458.1278 298.8222 31.8503 64.8269 555510.8508 -4.3248 -4.5193 PRESSURE: 3045800 -38.318 13.6188 39.4016 13.6186 -98.8947 -118.758 39.4023 -118.758 62.2626 GPRESSURE: 3045800 -26.1448 28.5012 48.2128 50.9769 -34.7588 -78.9009 17.3417 -98.8265 84.3598 PRESSAVG: 3045800 24.096 -14.4473 50.9742 -14.4472 -47.2781 -10.2231 50.9742 -10.223 27.3964 GPRESSAVG: 3045800 25.1373 -14.7311 49.3402 -15.6729 -48.0736 -11.1574 53.4459 -10.5341 26.8195 TIMING: 3045800 CPU: 8827.17, 0.00285158/step Wall: 8827.17, 0.00285158/step, 1.54793 hours remaining, 210.183594 MB of memory in use. ENERGY: 3045800 748.0847 2092.9606 1982.6746 98.5988 -206398.3349 17840.7225 0.0000 0.0000 34047.4216 -149587.8722 297.3446 -183635.2939 -149494.5868 298.2160 -24.9834 7.8188 558239.6556 1.4048 1.2944 PRESSURE: 3046000 69.3149 125.818 -101.339 125.818 59.2539 139.607 -101.338 139.607 -218.828 GPRESSURE: 3046000 33.0761 138.337 -162.932 88.6025 140.762 105.493 -114.164 150.902 -148.025 PRESSAVG: 3046000 2.66101 3.96637 16.9665 3.96639 -21.0711 37.0142 16.9665 37.0142 18.0867 GPRESSAVG: 3046000 1.60668 1.89543 17.6564 5.90807 -20.1542 35.8788 15.4567 38.8579 18.9813 TIMING: 3046000 CPU: 8827.75, 0.00287887/step Wall: 8827.75, 0.00287887/step, 1.56258 hours remaining, 210.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3046000 759.2064 2052.6403 1972.7013 109.8304 -206506.5086 17942.7101 0.0000 0.0000 34064.7862 -149604.6339 297.4963 -183669.4201 -149510.1148 297.7821 -30.0865 8.6044 556963.8038 -0.1078 0.1446 PRESSURE: 3046200 70.8254 81.6791 106.476 81.6782 -100.313 149.983 106.477 149.982 -101.156 GPRESSURE: 3046200 45.9479 75.3863 50.4234 101.461 -12.8994 90.8443 103.585 124.27 -65.7485 PRESSAVG: 3046200 33.9823 -4.93785 -27.467 -4.93781 -28.9648 13.343 -27.467 13.343 -26.5385 GPRESSAVG: 3046200 33.4632 -4.63361 -25.9161 -6.57018 -28.1567 13.6267 -27.2191 11.0941 -26.8659 TIMING: 3046200 CPU: 8828.32, 0.00287703/step Wall: 8828.32, 0.00287703/step, 1.56143 hours remaining, 210.183594 MB of memory in use. ENERGY: 3046200 733.2563 2108.3703 1942.9235 110.3922 -206555.9800 17787.2305 0.0000 0.0000 34333.5334 -149540.2738 299.8433 -183873.8072 -149438.8221 298.2636 -43.5481 -10.9000 557241.1823 -7.1737 -7.1865 PRESSURE: 3046400 -126.032 77.0108 -126.634 77.0115 -192.681 -148.205 -126.634 -148.204 -287.952 GPRESSURE: 3046400 -3.3172 98.2607 -17.9729 59.6082 -199.646 -115.912 -149.665 -166.323 -306.188 PRESSAVG: 3046400 0.01212 14.2571 -10.9402 14.2571 16.3894 17.6085 -10.9403 17.6084 -26.2478 GPRESSAVG: 3046400 0.36741 13.9342 -12.2261 14.8969 16.0981 19.1716 -11.4421 19.1537 -26.7251 TIMING: 3046400 CPU: 8828.9, 0.00288224/step Wall: 8828.9, 0.00288224/step, 1.56409 hours remaining, 210.183594 MB of memory in use. ENERGY: 3046400 746.7751 2034.7358 1983.7074 116.5051 -206299.5070 17746.6401 0.0000 0.0000 34234.6126 -149436.5309 298.9794 -183671.1435 -149340.5527 298.5484 -202.2216 -169.7171 558526.3756 -3.2821 -3.4199 PRESSURE: 3046600 -190.262 -52.9231 -54.9964 -52.9238 232.93 -92.0242 -54.9963 -92.0249 131.767 GPRESSURE: 3046600 -171.329 -17.1 -70.4765 -64.3885 260.868 -111.605 -70.4876 -87.1935 183.087 PRESSAVG: 3046600 42.8964 22.5037 -26.2914 22.5037 7.66784 -11.1101 -26.2915 -11.1101 -45.6185 GPRESSAVG: 3046600 42.4367 24.7959 -26.0006 22.6249 6.80287 -9.33476 -26.4742 -12.2708 -44.7896 TIMING: 3046600 CPU: 8829.47, 0.00286641/step Wall: 8829.47, 0.00286641/step, 1.55535 hours remaining, 210.183594 MB of memory in use. ENERGY: 3046600 756.1438 2037.4300 1979.8100 129.4407 -206621.5047 17979.2064 0.0000 0.0000 34264.2139 -149475.2600 299.2379 -183739.4739 -149379.4101 298.7681 58.1451 90.8751 556828.6768 1.6486 1.4833 PRESSURE: 3046800 177.924 -88.5467 -24.4725 -88.5475 196.156 75.4743 -24.4714 75.4755 219.119 GPRESSURE: 3046800 193.941 -169.723 -9.02403 -49.7371 240.452 132.82 24.637 73.99 263.281 PRESSAVG: 3046800 -21.1414 -18.4601 -29.9979 -18.4602 14.3118 -26.8848 -29.9979 -26.8848 28.2473 GPRESSAVG: 3046800 -20.8429 -18.726 -30.4369 -19.3366 13.7303 -29.7304 -28.0011 -25.3515 28.822 TIMING: 3046800 CPU: 8830.05, 0.00288243/step Wall: 8830.05, 0.00288243/step, 1.56388 hours remaining, 210.183594 MB of memory in use. ENERGY: 3046800 695.1818 2127.5543 1966.2932 110.7246 -206697.9957 18032.2533 0.0000 0.0000 34266.2250 -149499.7635 299.2555 -183765.9885 -149398.1226 298.5735 197.7331 232.5579 554780.3878 7.1393 7.2365 PRESSURE: 3047000 21.1859 -6.19308 100.865 -6.19295 -126.524 -11.991 100.865 -11.9917 96.0603 GPRESSURE: 3047000 55.8329 -34.0357 69.0893 -7.96715 -114.138 28.7645 42.7129 21.8844 151.905 PRESSAVG: 3047000 12.0707 -23.8192 -8.27337 -23.8193 2.07299 2.73814 -8.27351 2.73804 8.66546 GPRESSAVG: 3047000 11.7377 -24.3407 -6.14495 -24.3172 2.72948 2.68593 -10.6196 4.0804 8.29522 TIMING: 3047000 CPU: 8830.63, 0.00287746/step Wall: 8830.63, 0.00287745/step, 1.56102 hours remaining, 210.183594 MB of memory in use. ENERGY: 3047000 751.8406 2131.7950 1953.5419 120.9578 -206765.7370 17996.0901 0.0000 0.0000 34313.8393 -149497.6723 299.6713 -183811.5116 -149398.2605 299.1692 -3.0927 31.1998 557130.2800 7.6030 7.5875 PRESSURE: 3047200 -72.6275 -136.009 -6.49943 -136.01 108.106 0.547854 -6.4978 0.547988 -297.325 GPRESSURE: 3047200 -107.941 -214.483 -36.1247 -85.9538 155.77 -23.2511 58.2634 -12.3449 -206.317 PRESSAVG: 3047200 23.0285 -35.0922 1.76324 -35.0922 13.8415 -47.8645 1.76324 -47.8644 23.4129 GPRESSAVG: 3047200 23.2216 -34.5295 -0.556828 -33.9673 14.9967 -47.0886 3.11128 -48.5944 22.5884 TIMING: 3047200 CPU: 8831.2, 0.00284905/step Wall: 8831.2, 0.00284905/step, 1.54545 hours remaining, 210.183594 MB of memory in use. ENERGY: 3047200 790.3948 2068.8142 1951.8852 118.9772 -206348.4419 17818.0500 0.0000 0.0000 34235.2975 -149365.0231 298.9854 -183600.3206 -149269.5923 298.5064 -87.2822 -52.8291 557478.7743 20.0943 20.2689 PRESSURE: 3047400 -18.1283 129.289 -12.1517 129.289 245.687 -76.876 -12.1509 -76.8761 -149.382 GPRESSURE: 3047400 -0.245745 204.311 -20.4947 119.793 288.696 -90.5107 -31.0898 -110.672 -103.861 PRESSAVG: 3047400 -42.5791 -33.733 -4.09923 -33.733 20.303 -59.7818 -4.09916 -59.7818 -20.9596 GPRESSAVG: 3047400 -42.9141 -33.4474 -4.81034 -34.3445 18.9223 -59.3392 -4.09935 -61.0405 -19.0321 TIMING: 3047400 CPU: 8831.77, 0.00286236/step Wall: 8831.77, 0.00286236/step, 1.55251 hours remaining, 210.183594 MB of memory in use. ENERGY: 3047400 692.2977 2134.7859 1992.3878 116.1643 -206255.3286 17727.8090 0.0000 0.0000 34207.9222 -149383.9618 298.7463 -183591.8840 -149291.5431 298.8755 26.0590 61.5297 557770.3701 -14.4119 -14.3413 PRESSURE: 3047600 -258.09 -56.0461 -40.4597 -56.0468 115.676 -160.703 -40.46 -160.705 151.011 GPRESSURE: 3047600 -205.116 -36.1335 -57.4033 3.60549 162.943 -134.701 -14.5247 -98.2652 132.325 PRESSAVG: 3047600 -0.203183 23.2456 -34.69 23.2456 -1.85439 -36.2326 -34.69 -36.2325 -1.88712 GPRESSAVG: 3047600 0.585973 23.4084 -32.2784 23.9188 -1.68811 -34.0846 -36.5209 -39.183 -2.56549 TIMING: 3047600 CPU: 8832.34, 0.00287679/step Wall: 8832.34, 0.00287679/step, 1.56018 hours remaining, 210.183594 MB of memory in use. ENERGY: 3047600 717.5345 2076.7043 1943.4103 112.2922 -206265.1344 17897.1804 0.0000 0.0000 34276.7884 -149241.2244 299.3477 -183518.0127 -149136.8385 298.6595 2.8656 30.0506 557657.1731 -1.3149 -1.2225 PRESSURE: 3047800 -313.16 -9.04339 8.62341 -9.04357 186.921 80.3268 8.62296 80.3275 -222.722 GPRESSURE: 3047800 -286.821 22.324 1.98729 4.77383 172.157 117.519 -12.0765 63.2723 -137.965 PRESSAVG: 3047800 -68.0468 -22.5728 7.79682 -22.5728 83.8865 -55.4011 7.79669 -55.401 -37.6164 GPRESSAVG: 3047800 -68.2013 -23.014 7.86789 -22.1818 83.4439 -56.0772 10.1515 -53.0766 -37.1648 TIMING: 3047800 CPU: 8832.92, 0.00288571/step Wall: 8832.92, 0.00288571/step, 1.56486 hours remaining, 210.183594 MB of memory in use. ENERGY: 3047800 751.7642 2090.4233 1946.4021 106.0734 -206132.5166 17711.9310 0.0000 0.0000 34234.6875 -149291.2352 298.9800 -183525.9227 -149198.2977 299.1139 -116.3205 -84.2093 558971.3056 -7.2589 -7.3074 PRESSURE: 3048000 -29.4744 -5.81574 60.6 -5.81486 -192.223 1.64098 60.5993 1.64314 -182.74 GPRESSURE: 3048000 -21.9473 -32.1959 63.3453 51.2327 -175.852 43.5009 84.9351 -35.3269 -107.578 PRESSAVG: 3048000 25.5782 35.8595 -1.71814 35.8595 -40.3332 47.6462 -1.71807 47.6463 17.6454 GPRESSAVG: 3048000 25.6128 36.9476 -3.10926 35.7043 -38.4848 45.2455 -2.60972 47.3122 15.656 TIMING: 3048000 CPU: 8833.5, 0.00287994/step Wall: 8833.5, 0.00287994/step, 1.56157 hours remaining, 210.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3048000 712.8923 2132.9705 1938.1437 102.2941 -206257.2288 17851.3488 0.0000 0.0000 34369.5971 -149149.9823 300.1582 -183519.5794 -149050.2050 299.3948 -134.8127 -101.7926 560427.7506 0.9635 0.9280 PRESSURE: 3048200 121.919 -46.6724 -80.744 -46.6718 -43.7518 98.1843 -80.7439 98.183 -0.263128 GPRESSURE: 3048200 145.952 27.5191 -78.0842 -31.2421 -34.1392 77.7434 -63.5768 129.274 60.2381 PRESSAVG: 3048200 20.489 26.5004 38.0425 26.5005 -35.9845 52.5351 38.0424 52.535 -27.6096 GPRESSAVG: 3048200 20.0549 25.8047 36.9465 27.0879 -37.0725 54.9395 40.618 51.9529 -25.8335 TIMING: 3048200 CPU: 8834.07, 0.00288339/step Wall: 8834.07, 0.00288339/step, 1.56328 hours remaining, 210.183594 MB of memory in use. ENERGY: 3048200 753.5507 2089.3786 1959.7582 98.4807 -206086.2568 17892.3694 0.0000 0.0000 34185.7916 -149106.9277 298.5530 -183292.7193 -149013.8817 299.4706 25.9682 57.3502 559064.8645 -14.3684 -14.2837 LDB: ============= START OF LOAD BALANCING ============== 8837.46 LDB: ============== END OF LOAD BALANCING =============== 8837.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8837.46 LDB: ============= START OF LOAD BALANCING ============== 8837.75 LDB: Largest compute 4801 load 0.025543 is 21.6% of average load 0.118022 LDB: Average compute 0.001745 is 1.5% of average load 0.118022 LDB: TIME 8837.76 LOAD: AVG 0.118022 MAX 0.179665 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 8837.76 LOAD: AVG 0.118022 MAX 0.179665 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: TIME 8837.76 LOAD: AVG 0.118022 MAX 0.179665 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8837.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8837.76 PRESSURE: 3048400 157.768 -106.795 63.0799 -106.795 234.288 18.9339 63.0803 18.9345 109.691 GPRESSURE: 3048400 193.31 -37.5119 107.26 -171.559 287.677 -41.5892 34.5641 24.6709 134.459 PRESSAVG: 3048400 93.3196 -33.6503 30.8413 -33.6502 11.3229 45.3819 30.8413 45.3819 -90.6615 GPRESSAVG: 3048400 93.9251 -33.5095 31.6915 -34.3343 12.1059 44.1366 27.4973 43.5919 -92.335 TIMING: 3048400 CPU: 8834.67, 0.00297305/step Wall: 8834.67, 0.00297305/step, 1.61173 hours remaining, 209.632812 MB of memory in use. ENERGY: 3048400 700.1258 2042.5154 1969.3660 109.9988 -206632.8214 18207.4756 0.0000 0.0000 34482.2123 -149121.1273 301.1417 -183603.3396 -149022.7079 299.1521 167.2489 205.1491 557746.7468 4.6603 4.5653 PRESSURE: 3048600 -109.33 82.9961 -92.465 82.9956 -171.4 172.232 -92.4643 172.232 281.915 GPRESSURE: 3048600 -72.4313 143.064 -183.271 17.4325 -156.956 118.777 -48.9771 180.077 319.472 PRESSAVG: 3048600 36.9368 21.4051 54.8555 21.4052 28.3891 7.53371 54.8555 7.5338 -9.5942 GPRESSAVG: 3048600 37.2401 20.5461 54.3401 20.7073 27.1451 7.40084 53.7851 10.3845 -8.56976 TIMING: 3048600 CPU: 8835.25, 0.00291394/step Wall: 8835.25, 0.00291394/step, 1.57952 hours remaining, 209.832031 MB of memory in use. ENERGY: 3048600 736.0843 2084.8160 1938.7555 111.9980 -206022.9243 17889.5291 0.0000 0.0000 34318.7441 -148942.9973 299.7141 -183261.7414 -148846.1619 300.0389 0.3950 30.0282 557146.3069 18.5772 18.6051 PRESSURE: 3048800 44.2846 57.8556 43.9941 57.8553 128.03 -78.07 43.9934 -78.0688 53.8196 GPRESSURE: 3048800 73.9496 53.1821 2.13431 -14.785 181.002 -111.294 29.8214 -94.132 66.8925 PRESSAVG: 3048800 -44.2222 3.92817 37.0434 3.92816 13.2387 10.9081 37.0434 10.9082 25.982 GPRESSAVG: 3048800 -44.0464 3.24305 38.3425 3.75592 13.5625 9.77923 36.4269 10.6935 25.3389 TIMING: 3048800 CPU: 8835.83, 0.00287906/step Wall: 8835.83, 0.00287906/step, 1.56045 hours remaining, 209.832031 MB of memory in use. ENERGY: 3048800 708.3753 2114.6001 1980.4786 117.5178 -205955.4435 17774.8780 0.0000 0.0000 34320.3950 -148939.1987 299.7285 -183259.5937 -148842.4469 299.9222 75.3782 107.2813 556941.2699 -1.6672 -1.7150 PRESSURE: 3049000 -21.3148 -66.717 -91.8789 -66.7172 154.942 102.581 -91.8794 102.58 116.732 GPRESSURE: 3049000 61.0836 -147.436 0.909033 -20.6318 181.285 65.7512 -75.8458 147.523 102.615 PRESSAVG: 3049000 -45.4286 -0.969544 -49.0108 -0.969576 31.2973 -39.5978 -49.0108 -39.5978 18.4223 GPRESSAVG: 3049000 -45.2259 1.15098 -50.3823 -1.94302 30.6328 -39.3207 -46.2522 -39.1769 18.2206 TIMING: 3049000 CPU: 8836.41, 0.00289839/step Wall: 8836.41, 0.00289839/step, 1.57077 hours remaining, 209.832031 MB of memory in use. ENERGY: 3049000 733.1067 2071.5437 1950.7220 105.9007 -206137.0823 17881.5646 0.0000 0.0000 34336.5098 -149057.7348 299.8693 -183394.2446 -148970.0519 300.1030 83.4530 114.9948 556488.0797 1.4304 1.2092 PRESSURE: 3049200 -281.814 63.6134 -161.2 63.6125 -65.2199 8.101 -161.201 8.10205 -50.7313 GPRESSURE: 3049200 -292.273 90.772 -165.955 95.3571 -9.85732 -2.13756 -263.378 97.6014 -8.8539 PRESSAVG: 3049200 -52.4854 -49.2763 -18.5634 -49.2763 1.66874 -44.2224 -18.5636 -44.2223 22.3121 GPRESSAVG: 3049200 -52.899 -50.2896 -16.457 -48.8526 1.34359 -43.5446 -19.5716 -44.4461 23.2282 TIMING: 3049200 CPU: 8836.98, 0.00287988/step Wall: 8836.98, 0.00287988/step, 1.56057 hours remaining, 209.832031 MB of memory in use. ENERGY: 3049200 749.8707 2029.6586 1959.3668 110.5851 -205312.2652 17393.6302 0.0000 0.0000 34247.8233 -148821.3304 299.0948 -183069.1537 -148718.6354 300.1324 -132.5885 -103.6614 558832.3889 -9.5015 -9.4424 PRESSURE: 3049400 -199.088 -17.4649 24.4766 -17.4645 45.3971 116.907 24.4759 116.909 85.3514 GPRESSURE: 3049400 -98.633 -72.4556 73.3633 -68.3612 69.7591 58.3058 -20.9988 126.989 58.8307 PRESSAVG: 3049400 -45.7198 0.679874 35.7964 0.679886 52.1574 36.1378 35.7962 36.1378 20.2741 GPRESSAVG: 3049400 -45.8087 -0.125279 33.8808 1.75799 51.6688 33.5975 35.6312 35.8789 20.7257 TIMING: 3049400 CPU: 8837.56, 0.00289327/step Wall: 8837.56, 0.00289327/step, 1.56767 hours remaining, 209.832031 MB of memory in use. ENERGY: 3049400 761.3433 2106.0825 1957.4349 106.7500 -206013.9038 17660.8606 0.0000 0.0000 34235.0612 -149186.3713 298.9833 -183421.4324 -149094.3475 300.3322 -22.7798 9.9856 557808.5031 8.9039 8.8619 PRESSURE: 3049600 -234.548 -11.9595 22.2106 -11.9611 271.995 65.7543 22.2103 65.7537 85.7121 GPRESSURE: 3049600 -166.26 -2.2583 29.3539 -28.8303 251.513 87.2988 128.798 75.0733 146.823 PRESSAVG: 3049600 -31.8636 -32.4964 -23.1874 -32.4964 96.5657 38.0711 -23.1875 38.0711 -30.4357 GPRESSAVG: 3049600 -32.5708 -33.1475 -23.585 -34.6884 96.956 36.8649 -21.7068 39.067 -30.2598 TIMING: 3049600 CPU: 8838.14, 0.00288078/step Wall: 8838.14, 0.00288078/step, 1.56074 hours remaining, 209.832031 MB of memory in use. ENERGY: 3049600 780.4581 2112.7474 1952.7324 106.8668 -206432.2353 17829.4967 0.0000 0.0000 34377.0110 -149272.9230 300.2230 -183649.9339 -149183.1488 298.8501 41.0530 77.3585 556135.1836 11.4221 11.3751 PRESSURE: 3049800 8.00355 36.8455 156.812 36.8468 209.125 11.6215 156.813 11.6206 85.5097 GPRESSURE: 3049800 39.3038 158.034 124.494 -11.308 223.512 -70.1069 102.903 50.5984 136.411 PRESSAVG: 3049800 -4.37582 -4.85043 -36.9535 -4.85046 -4.86587 16.7855 -36.9534 16.7855 41.3148 GPRESSAVG: 3049800 -4.04531 -2.67697 -35.321 -5.26583 -3.77648 19.7423 -39.2964 14.2981 40.2157 TIMING: 3049800 CPU: 8838.71, 0.00288578/step Wall: 8838.71, 0.00288578/step, 1.56329 hours remaining, 209.832031 MB of memory in use. ENERGY: 3049800 746.5822 2110.3379 1957.2767 115.3735 -206309.8214 18018.2968 0.0000 0.0000 34064.4452 -149297.5091 297.4933 -183361.9543 -149202.7242 298.9988 100.8794 133.0756 558158.5720 10.6910 10.7980 PRESSURE: 3050000 -154.241 38.9299 -145.906 38.931 -64.7786 -148.333 -145.906 -148.333 203.273 GPRESSURE: 3050000 -130.956 130.041 -120.82 31.8178 12.949 -121.966 -80.2403 -124.835 188.716 PRESSAVG: 3050000 23.2348 18.7176 1.96546 18.7176 9.44886 -11.276 1.96551 -11.276 -47.0205 GPRESSAVG: 3050000 23.553 20.0494 1.90814 19.5074 8.4936 -11.8939 2.15857 -10.2739 -46.803 TIMING: 3050000 CPU: 8839.29, 0.00289448/step Wall: 8839.29, 0.00289448/step, 1.56784 hours remaining, 209.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3050000 738.7682 2075.6413 1945.4610 116.1646 -206149.7258 17867.0047 0.0000 0.0000 34099.9760 -149306.7099 297.8036 -183406.6859 -149213.2402 298.4410 -5.2488 23.5696 558332.6267 -4.7790 -4.9188 PRESSURE: 3050200 20.9089 -17.0019 -8.07638 -17.0012 -229.263 -41.3601 -8.0766 -41.3603 -117.928 GPRESSURE: 3050200 17.87 0.998899 -60.3704 -19.9849 -186.255 -71.7549 -3.55964 -66.2296 -60.9279 PRESSAVG: 3050200 38.2104 -18.051 -4.57142 -18.051 8.46309 -29.4327 -4.57149 -29.4326 -9.28329 GPRESSAVG: 3050200 38.8531 -17.6281 -4.96842 -18.8431 8.71814 -28.9469 -4.099 -29.9809 -9.89984 TIMING: 3050200 CPU: 8839.87, 0.00287985/step Wall: 8839.87, 0.00287985/step, 1.55976 hours remaining, 209.832031 MB of memory in use. ENERGY: 3050200 752.3751 2070.1365 1927.0002 108.3300 -206210.3122 17698.0155 0.0000 0.0000 34373.4782 -149280.9767 300.1921 -183654.4550 -149189.8363 299.1214 -108.7608 -76.4376 557234.7737 12.4634 12.5571 PRESSURE: 3050400 -72.2905 -109.989 104.94 -109.988 320.244 -146.556 104.941 -146.557 -24.3223 GPRESSURE: 3050400 26.0171 -130.065 86.7626 -67.9358 312.713 -104.246 160.982 -190.922 -22.5459 PRESSAVG: 3050400 -8.07314 -39.199 29.7683 -39.199 34.2885 -35.2964 29.7684 -35.2963 -28.1742 GPRESSAVG: 3050400 -8.83 -41.4505 29.4068 -37.3934 33.6839 -33.7117 30.1492 -34.0055 -27.3919 TIMING: 3050400 CPU: 8840.45, 0.00290259/step Wall: 8840.45, 0.00290259/step, 1.57191 hours remaining, 209.832031 MB of memory in use. ENERGY: 3050400 723.2009 2080.3449 1947.3428 109.3319 -206192.6564 17949.6249 0.0000 0.0000 34261.0932 -149121.7178 299.2106 -183382.8111 -149023.5807 298.9707 74.5436 105.3946 558642.0717 -0.6530 -0.8460 PRESSURE: 3050600 -195.362 -137.699 64.2012 -137.699 -297.552 -56.743 64.2013 -56.7426 -299.639 GPRESSURE: 3050600 -178.834 -135.86 55.1552 -67.0946 -215.614 -45.3347 62.8109 -73.5731 -293.344 PRESSAVG: 3050600 -67.4413 31.2128 15.4163 31.2128 32.1329 -1.26847 15.4163 -1.26847 38.0336 GPRESSAVG: 3050600 -68.5102 32.0757 15.4663 31.3408 31.8948 -2.69773 14.6026 -0.501383 38.882 TIMING: 3050600 CPU: 8841.03, 0.00288541/step Wall: 8841.03, 0.00288541/step, 1.56245 hours remaining, 209.832031 MB of memory in use. ENERGY: 3050600 773.3945 2097.7921 1960.3511 112.3405 -205798.0317 17497.0595 0.0000 0.0000 34211.4023 -149145.6916 298.7767 -183357.0939 -149043.7753 299.9851 -264.1845 -229.2640 558323.5765 0.9084 0.7556 PRESSURE: 3050800 -104.483 164.241 2.62017 164.239 52.9687 86.5278 2.62199 86.5287 -71.4139 GPRESSURE: 3050800 -98.9842 147.578 6.88685 130.512 98.2045 29.995 -54.5973 168.271 -12.0198 PRESSAVG: 3050800 -60.9882 -38.862 12.2832 -38.862 15.3918 57.5979 12.2832 57.5978 70.3296 GPRESSAVG: 3050800 -60.8665 -40.0853 12.111 -39.7681 17.1592 58.4024 12.3162 55.9776 68.3518 TIMING: 3050800 CPU: 8841.6, 0.00288474/step Wall: 8841.6, 0.00288474/step, 1.56193 hours remaining, 209.832031 MB of memory in use. ENERGY: 3050800 754.6094 2062.6399 1959.4740 107.4349 -206096.4989 17620.3678 0.0000 0.0000 34275.8998 -149316.0731 299.3400 -183591.9729 -149219.6419 299.4655 -40.9760 -4.2665 557392.2093 8.2444 8.2148 PRESSURE: 3051000 -52.0212 -16.0928 -153.706 -16.0934 26.8246 -71.5639 -153.708 -71.5619 64.2197 GPRESSURE: 3051000 1.45906 -9.34104 -145.933 19.8434 43.2998 -111.152 -156.062 9.99178 89.299 PRESSAVG: 3051000 -34.9718 1.35409 -34.0961 1.35409 0.183736 13.3493 -34.0962 13.3493 11.1597 GPRESSAVG: 3051000 -35.1722 0.426117 -33.8775 5.3137 -1.57972 14.305 -34.9651 13.4938 12.2954 TIMING: 3051000 CPU: 8842.18, 0.00286497/step Wall: 8842.18, 0.00286498/step, 1.55107 hours remaining, 209.832031 MB of memory in use. ENERGY: 3051000 746.0907 2075.8831 1956.6806 109.9056 -206182.5985 17782.1127 0.0000 0.0000 34093.0571 -149418.8687 297.7431 -183511.9258 -149318.4243 299.3535 13.0077 44.6860 556292.4800 -7.8761 -8.1522 PRESSURE: 3051200 -158.167 -87.7497 36.7331 -87.7499 -10.7421 -46.2663 36.7337 -46.2677 -176.118 GPRESSURE: 3051200 -97.3268 -86.1119 -62.9694 -105.313 28.147 -59.8612 75.4681 113.514 -182.967 PRESSAVG: 3051200 -4.55061 58.7869 -49.2798 58.7869 33.2137 52.511 -49.2798 52.511 -32.6616 GPRESSAVG: 3051200 -4.85857 58.1413 -50.6114 59.0006 33.9375 53.0066 -46.8783 51.0101 -33.6879 TIMING: 3051200 CPU: 8842.76, 0.0028959/step Wall: 8842.76, 0.0028959/step, 1.56765 hours remaining, 209.832031 MB of memory in use. ENERGY: 3051200 732.5484 2126.5574 1971.4626 109.2223 -206030.7922 17628.8153 0.0000 0.0000 34198.4300 -149263.7561 298.6634 -183462.1861 -149162.5564 299.2369 -115.0089 -84.0489 556199.0689 -1.3328 -1.5363 PRESSURE: 3051400 120.605 69.5095 -11.2565 69.5085 287.706 35.7129 -11.2566 35.7137 -31.1145 GPRESSURE: 3051400 139.449 106.099 3.01254 9.22325 274.538 12.6731 -28.1139 -1.80694 63.1124 PRESSAVG: 3051400 -74.3757 61.2041 -5.54077 61.204 34.4249 15.7876 -5.54073 15.7877 49.4938 GPRESSAVG: 3051400 -75.0754 62.9527 -0.367347 58.0026 34.4301 13.3768 -8.67747 17.3829 49.9902 TIMING: 3051400 CPU: 8843.34, 0.00291709/step Wall: 8843.34, 0.00291709/step, 1.57896 hours remaining, 209.832031 MB of memory in use. ENERGY: 3051400 767.1475 2098.5438 1939.8970 104.4947 -206677.0491 18075.2316 0.0000 0.0000 34445.0948 -149246.6396 300.8176 -183691.7344 -149150.6072 299.1107 125.7323 159.0330 555140.8108 3.1810 3.1150 PRESSURE: 3051600 136.307 67.7472 90.8609 67.7465 -85.8331 -51.5439 90.8599 -51.5453 72.0279 GPRESSURE: 3051600 147.475 48.9581 99.7194 113.397 -26.1003 -101.25 79.1721 20.8889 96.4368 PRESSAVG: 3051600 23.4692 25.2271 -67.9803 25.2271 29.7109 11.0923 -67.9803 11.0923 -9.96042 GPRESSAVG: 3051600 24.9256 25.4433 -72.6382 26.6007 29.2553 10.9707 -66.7104 12.9494 -10.6301 TIMING: 3051600 CPU: 8843.92, 0.00291364/step Wall: 8843.92, 0.00291364/step, 1.57693 hours remaining, 209.832031 MB of memory in use. ENERGY: 3051600 737.7025 2053.1980 1957.6541 104.6520 -206179.7937 17826.2455 0.0000 0.0000 34240.1911 -149260.1505 299.0281 -183500.3416 -149164.4496 299.7978 40.8341 72.6038 557636.6033 14.4065 14.5169 PRESSURE: 3051800 -350.409 -179.592 -30.7864 -179.594 -54.0811 -116.549 -30.786 -116.548 -58.578 GPRESSURE: 3051800 -300.159 -135.149 -70.9158 -211.081 -48.1967 -163.838 -83.2651 -105.3 -16.894 PRESSAVG: 3051800 -11.3978 -64.7664 24.7981 -64.7664 13.4461 -12.5916 24.798 -12.5916 -23.6114 GPRESSAVG: 3051800 -10.7373 -63.8257 25.6424 -65.6038 12.8425 -10.469 25.1485 -14.8631 -23.3209 TIMING: 3051800 CPU: 8844.51, 0.00292351/step Wall: 8844.51, 0.00292351/step, 1.5821 hours remaining, 209.832031 MB of memory in use. ENERGY: 3051800 767.1853 2080.4363 1966.8271 107.2813 -205776.1257 17656.7572 0.0000 0.0000 34004.0600 -149193.5786 296.9659 -183197.6386 -149100.6939 298.9783 -154.3562 -121.7499 558583.5585 -7.1877 -7.0719 PRESSURE: 3052000 -187.937 33.0565 116.686 33.0559 -86.233 -29.7536 116.686 -29.7543 33.645 GPRESSURE: 3052000 -155.975 -55.1074 109.75 113.947 -101.286 -36.7683 130.96 -46.3982 119.771 PRESSAVG: 3052000 9.84791 -47.5092 -32.4004 -47.5092 2.03372 -36.2273 -32.4004 -36.2272 -8.85398 GPRESSAVG: 3052000 8.50175 -50.6888 -31.4125 -45.1037 2.6821 -37.999 -33.5047 -34.6741 -8.21389 TIMING: 3052000 CPU: 8845.09, 0.00290159/step Wall: 8845.09, 0.00290159/step, 1.57008 hours remaining, 209.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3052000 724.3515 2130.1162 1969.1875 109.9052 -205931.6544 17623.3795 0.0000 0.0000 34236.5755 -149138.1391 298.9965 -183374.7146 -149041.8167 298.5330 -80.1749 -45.8301 558326.0720 1.0092 0.9900 PRESSURE: 3052200 126.085 160.598 4.33853 160.598 379.315 -164.995 4.33781 -164.996 1.58621 GPRESSURE: 3052200 111.374 130.198 28.5083 195.968 415.75 -222.764 16.8188 -111.285 73.5975 PRESSAVG: 3052200 -3.55459 0.979546 -3.39177 0.979565 27.813 1.98087 -3.3919 1.98102 22.378 GPRESSAVG: 3052200 -3.31189 4.16427 -3.36591 -2.49354 27.2464 1.98815 -3.00304 1.19891 22.5809 TIMING: 3052200 CPU: 8845.67, 0.00290294/step Wall: 8845.67, 0.00290294/step, 1.57065 hours remaining, 209.832031 MB of memory in use. ENERGY: 3052200 705.1150 2115.5353 1956.8784 108.0116 -206077.2861 17947.2804 0.0000 0.0000 34081.4743 -149162.9912 297.6420 -183244.4655 -149067.6083 299.1342 168.9954 200.2403 556725.2157 15.5455 15.5051 LDB: ============= START OF LOAD BALANCING ============== 8849.05 LDB: ============== END OF LOAD BALANCING =============== 8849.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8849.06 LDB: ============= START OF LOAD BALANCING ============== 8849.35 LDB: Largest compute 4800 load 0.023323 is 19.8% of average load 0.117858 LDB: Average compute 0.001734 is 1.5% of average load 0.117858 LDB: TIME 8849.35 LOAD: AVG 0.117858 MAX 0.177004 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.793 MB LDB: TIME 8849.35 LOAD: AVG 0.117858 MAX 0.177004 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.797 MB LDB: TIME 8849.35 LOAD: AVG 0.117858 MAX 0.177004 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.797 MB LDB: ============== END OF LOAD BALANCING =============== 8849.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8849.35 PRESSURE: 3052400 -164.666 10.6414 56.5146 10.6416 -207.295 -10.946 56.5146 -10.9461 255.173 GPRESSURE: 3052400 -139.124 -37.8492 -32.9801 58.7975 -233.22 62.2117 217.177 -24.2002 366.557 PRESSAVG: 3052400 -42.3892 26.8633 12.8754 26.8632 50.8857 -23.2349 12.8754 -23.2349 35.472 GPRESSAVG: 3052400 -41.8571 24.4037 11.8655 29.3553 49.9719 -24.0584 14.1688 -22.9652 35.2941 TIMING: 3052400 CPU: 8846.26, 0.0029531/step Wall: 8846.26, 0.0029531/step, 1.59763 hours remaining, 210.660156 MB of memory in use. ENERGY: 3052400 745.0446 2074.9362 1956.7434 123.5439 -206125.1040 17812.6576 0.0000 0.0000 34240.5798 -149171.5986 299.0315 -183412.1784 -149082.8805 299.0811 -38.9294 -1.9290 559025.7626 14.6562 14.4696 PRESSURE: 3052600 -55.0062 7.68133 -99.2463 7.68196 -15.261 -2.67335 -99.2461 -2.67378 -48.3331 GPRESSURE: 3052600 23.9128 36.7291 -31.4442 20.3816 27.5941 29.9901 -139.196 -18.2114 -72.2838 PRESSAVG: 3052600 -1.81043 4.32689 24.0145 4.32693 -13.469 -1.22647 24.0146 -1.22644 -1.77907 GPRESSAVG: 3052600 -2.04139 6.75119 24.9483 2.08186 -11.7883 0.167191 24.3611 -1.02879 -3.22607 TIMING: 3052600 CPU: 8846.84, 0.00288656/step Wall: 8846.84, 0.00288656/step, 1.56147 hours remaining, 210.765625 MB of memory in use. ENERGY: 3052600 746.1767 2086.1476 1988.3002 105.1356 -206054.4627 17813.8216 0.0000 0.0000 34126.1012 -149188.7799 298.0317 -183314.8811 -149092.6828 299.2649 -39.5335 -6.9256 558428.9789 -5.6862 -5.6852 PRESSURE: 3052800 -11.7734 41.3559 -144.309 41.356 -18.678 3.50664 -144.309 3.50726 -163.3 GPRESSURE: 3052800 -3.19902 80.3451 -183.389 67.9492 6.13595 -16.4569 -130.129 55.6262 -86.4286 PRESSAVG: 3052800 48.32 9.51742 61.4168 9.51741 -32.1222 61.9006 61.4168 61.9005 -27.3065 GPRESSAVG: 3052800 47.6359 10.7413 59.3174 8.19974 -32.5025 62.9585 60.9284 61.2896 -26.7046 TIMING: 3052800 CPU: 8847.42, 0.00291303/step Wall: 8847.42, 0.00291303/step, 1.57562 hours remaining, 210.765625 MB of memory in use. ENERGY: 3052800 742.3764 2082.5037 1958.0058 120.1551 -206099.3812 17678.7871 0.0000 0.0000 34358.7219 -149158.8312 300.0633 -183517.5531 -149057.9654 299.6504 -64.5837 -27.8306 557902.3741 -3.7029 -3.8570 PRESSURE: 3053000 -100.485 -68.5016 90.7497 -68.5034 -129.566 -29.488 90.7485 -29.489 77.2514 GPRESSURE: 3053000 -67.5639 -33.1539 45.3837 -147.92 -122.44 -26.4326 77.8358 -98.4719 134.364 PRESSAVG: 3053000 17.7543 45.7569 -1.71047 45.757 -30.69 42.3228 -1.71044 42.3227 -12.4217 GPRESSAVG: 3053000 17.1633 44.1255 0.654209 47.1877 -30.2443 42.5114 -1.67016 42.5286 -12.4368 TIMING: 3053000 CPU: 8848, 0.0028975/step Wall: 8848, 0.0028975/step, 1.56706 hours remaining, 210.765625 MB of memory in use. ENERGY: 3053000 761.3587 2128.5171 1983.4496 125.3490 -206494.4568 17984.0839 0.0000 0.0000 34179.3084 -149332.3900 298.4964 -183511.6985 -149239.4974 299.0373 -50.9332 -18.5466 557315.3975 -8.4525 -8.5059 PRESSURE: 3053200 -84.771 -78.8908 208.431 -78.8896 125.991 98.8948 208.43 98.8949 -171.161 GPRESSURE: 3053200 -75.2684 -58.2034 225.213 -74.1056 194.862 66.5359 183.855 63.4207 -167.38 PRESSAVG: 3053200 0.0656769 18.7799 -22.1953 18.7799 -24.6086 19.5029 -22.1955 19.5029 -16.5636 GPRESSAVG: 3053200 1.11595 19.5658 -22.7197 18.9118 -25.9705 18.3741 -23.5401 20.3005 -16.1755 TIMING: 3053200 CPU: 8848.58, 0.00288953/step Wall: 8848.58, 0.00288953/step, 1.56259 hours remaining, 210.765625 MB of memory in use. ENERGY: 3053200 721.6072 2109.0601 1983.5270 114.2122 -206760.9596 17862.0120 0.0000 0.0000 34233.0009 -149737.5402 298.9653 -183970.5410 -149649.3344 298.0331 -43.3136 -15.9289 557522.7234 -13.7022 -13.6767 PRESSURE: 3053400 -202.062 -93.862 186.418 -93.8611 28.1788 -63.4504 186.416 -63.4497 -68.5843 GPRESSURE: 3053400 -228.414 -54.05 106.961 -87.6365 33.8114 -72.7627 258.612 -52.1935 50.1222 PRESSAVG: 3053400 -2.93415 4.83204 31.8422 4.83208 8.16285 39.2325 31.8422 39.2325 22.3289 GPRESSAVG: 3053400 -4.34527 3.60371 30.3602 5.90292 9.15497 40.7797 33.3798 38.8046 22.8628 TIMING: 3053400 CPU: 8849.16, 0.00290533/step Wall: 8849.16, 0.00290533/step, 1.57098 hours remaining, 210.765625 MB of memory in use. ENERGY: 3053400 748.9348 2076.5264 1936.2880 101.7888 -206279.2718 17792.7186 0.0000 0.0000 34065.7044 -149557.3108 297.5043 -183623.0151 -149457.9056 298.5780 -80.8224 -48.1602 558806.6420 9.1859 9.2242 PRESSURE: 3053600 -53.6688 -71.1152 61.0057 -71.1149 194.165 12.2307 61.0055 12.2322 33.5885 GPRESSURE: 3053600 81.0828 -31.1112 36.0934 -70.9132 223.837 45.8893 68.483 49.4757 -34.2571 PRESSAVG: 3053600 67.0588 -2.37989 38.0776 -2.37976 7.6563 23.3439 38.0776 23.3439 -91.2011 GPRESSAVG: 3053600 68.8616 -0.409294 40.1196 -3.97255 6.21545 21.6976 36.9486 24.208 -91.7518 TIMING: 3053600 CPU: 8849.74, 0.00290519/step Wall: 8849.74, 0.00290519/step, 1.57074 hours remaining, 210.765625 MB of memory in use. ENERGY: 3053600 724.9053 2113.9390 1954.6264 121.9001 -206614.3744 18072.2306 0.0000 0.0000 34159.5813 -149467.1916 298.3241 -183626.7729 -149373.7644 298.5949 58.0282 90.2210 556560.3628 -5.4953 -5.5582 PRESSURE: 3053800 18.5381 -44.7944 -62.4178 -44.7941 -131.958 -1.53261 -62.4185 -1.5325 -13.1635 GPRESSURE: 3053800 48.7514 -91.3845 -98.6102 -82.5093 -115.092 -16.0325 -72.7642 -12.1474 49.2745 PRESSAVG: 3053800 83.1292 -11.6385 7.24904 -11.6385 -1.20552 50.8222 7.24901 50.8223 -61.6467 GPRESSAVG: 3053800 82.0781 -13.4223 6.27575 -11.6102 -0.142991 53.7076 8.43051 48.888 -61.9347 TIMING: 3053800 CPU: 8850.32, 0.00290863/step Wall: 8850.32, 0.00290863/step, 1.57244 hours remaining, 210.867188 MB of memory in use. ENERGY: 3053800 712.0419 2089.6246 1955.5745 113.6310 -206599.2329 17858.3453 0.0000 0.0000 34268.0915 -149601.9242 299.2718 -183870.0157 -149501.5180 298.4567 -42.1944 -5.6888 556728.6429 6.7590 6.6668 PRESSURE: 3054000 112.234 -9.0468 65.1887 -9.04683 42.0544 81.9246 65.1887 81.9257 -225.273 GPRESSURE: 3054000 125.97 75.0503 24.4725 1.69299 97.0374 51.0437 47.387 97.3055 -199.026 PRESSAVG: 3054000 3.50295 3.15445 1.21807 3.15443 38.9986 49.8782 1.21806 49.8781 -34.3386 GPRESSAVG: 3054000 3.21701 4.1506 -0.983402 4.1122 40.5153 46.6222 2.5287 51.1554 -36.0608 TIMING: 3054000 CPU: 8850.9, 0.00290766/step Wall: 8850.9, 0.00290766/step, 1.57175 hours remaining, 210.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3054000 762.0608 2089.8862 1949.6866 115.7001 -206723.8479 17837.7990 0.0000 0.0000 34274.8150 -149693.9004 299.3305 -183968.7153 -149594.9924 297.7653 -23.6614 7.9937 554974.3386 2.7210 2.5572 PRESSURE: 3054200 22.722 -83.1278 -60.0304 -83.1275 2.31443 -68.5539 -60.0312 -68.5544 38.8509 GPRESSURE: 3054200 89.9536 -64.23 -69.5021 -84.1042 49.0633 31.8153 26.5648 -31.1757 17.7863 PRESSAVG: 3054200 10.0331 -17.1769 -8.75079 -17.1769 18.9468 10.5998 -8.75077 10.5998 -27.207 GPRESSAVG: 3054200 11.1717 -17.428 -6.21488 -17.4825 17.0962 14.119 -10.4847 10.3178 -27.266 TIMING: 3054200 CPU: 8851.49, 0.0029209/step Wall: 8851.49, 0.0029209/step, 1.57875 hours remaining, 210.867188 MB of memory in use. ENERGY: 3054200 732.1950 2102.0476 1997.1334 106.6340 -206264.8914 17624.2432 0.0000 0.0000 34121.6658 -149580.9723 297.9930 -183702.6382 -149482.4699 298.5691 21.2958 52.2677 555650.2250 0.5909 0.3340 PRESSURE: 3054400 -10.1248 -202.365 22.9855 -202.367 357.768 -48.5934 22.9846 -48.5938 145.385 GPRESSURE: 3054400 41.7727 -195.833 62.636 -235.6 404.605 28.1768 -0.379294 -136.834 154.026 PRESSAVG: 3054400 -21.2122 -45.353 -8.42716 -45.353 26.5432 -7.07998 -8.42719 -7.07998 8.41264 GPRESSAVG: 3054400 -21.6019 -47.6114 -7.64209 -45.7158 26.8013 -7.94472 -8.36489 -6.6505 8.15364 TIMING: 3054400 CPU: 8852.07, 0.00291789/step Wall: 8852.07, 0.00291789/step, 1.57696 hours remaining, 210.867188 MB of memory in use. ENERGY: 3054400 789.7646 2090.8705 1969.0019 113.4634 -206445.8744 17901.1012 0.0000 0.0000 34056.2973 -149525.3754 297.4221 -183581.6727 -149429.5074 298.6115 164.3430 200.1348 555019.8584 4.5812 4.4510 PRESSURE: 3054600 140.784 74.7707 -87.5436 74.7696 -92.3418 -30.2957 -87.5444 -30.2953 -83.6088 GPRESSURE: 3054600 152.674 99.6902 -170.488 94.6576 -49.8243 -25.2236 40.1467 46.5427 -39.1381 PRESSAVG: 3054600 -13.1531 33.5818 28.1819 33.5819 49.8262 -13.62 28.1819 -13.62 -38.3709 GPRESSAVG: 3054600 -13.9563 34.4569 28.7934 34.371 48.0949 -15.7932 25.1494 -14.9843 -35.9558 TIMING: 3054600 CPU: 8852.65, 0.00291159/step Wall: 8852.65, 0.00291158/step, 1.57339 hours remaining, 210.867188 MB of memory in use. ENERGY: 3054600 750.5083 2110.4799 1984.1539 123.6750 -206428.3801 17775.2301 0.0000 0.0000 34130.5419 -149553.7911 298.0705 -183684.3329 -149460.2781 298.5778 -11.7222 21.2372 556730.2236 -0.5660 -0.6057 PRESSURE: 3054800 -68.3227 -6.76367 155.104 -6.76287 -177.671 251.961 155.103 251.96 -315.249 GPRESSURE: 3054800 -57.5282 46.099 187.353 -80.6322 -113.324 215.252 29.813 281.041 -281.523 PRESSAVG: 3054800 -16.5847 23.638 -5.18938 23.6379 66.8421 1.09057 -5.18941 1.09084 3.3537 GPRESSAVG: 3054800 -15.6291 23.8066 -5.2858 22.6784 68.3144 2.88292 -4.19505 1.77878 1.1727 TIMING: 3054800 CPU: 8853.23, 0.00288228/step Wall: 8853.23, 0.00288228/step, 1.55739 hours remaining, 210.867188 MB of memory in use. ENERGY: 3054800 769.8910 2086.6548 1977.7848 116.4984 -206213.6035 17634.9595 0.0000 0.0000 34036.3383 -149591.4767 297.2478 -183627.8150 -149495.1295 298.6441 -187.0809 -150.7918 557472.7794 17.8704 17.9527 PRESSURE: 3055000 55.0532 165.1 98.6878 165.1 20.2938 90.1452 98.6879 90.1468 -84.3694 GPRESSURE: 3055000 62.4897 172.124 5.28779 125.714 52.0896 41.5716 187.692 78.99 -16.9651 PRESSAVG: 3055000 -0.174319 -8.27166 51.3444 -8.27177 9.59304 44.0496 51.3444 44.0495 -26.9034 GPRESSAVG: 3055000 -1.07551 -6.5499 50.8718 -8.1317 9.96485 44.9287 50.7682 41.5205 -26.8385 TIMING: 3055000 CPU: 8853.81, 0.00289263/step Wall: 8853.81, 0.00289263/step, 1.56282 hours remaining, 210.867188 MB of memory in use. ENERGY: 3055000 761.3566 2134.5350 1968.7283 104.9166 -206680.8975 17990.5780 0.0000 0.0000 34216.5547 -149504.2283 298.8217 -183720.7829 -149407.1755 298.6523 -3.0075 32.5381 556205.2898 -5.8282 -5.9831 PRESSURE: 3055200 -81.8128 -26.165 134.053 -26.1645 -121.132 -70.9378 134.052 -70.9376 144.589 GPRESSURE: 3055200 -78.7175 0.594749 174.786 -3.99741 -83.3205 -94.649 105.197 -90.5901 205.1 PRESSAVG: 3055200 62.2268 -2.89473 1.79489 -2.89469 8.97041 26.6037 1.79497 26.6037 -53.6466 GPRESSAVG: 3055200 63.0945 -5.9707 0.600602 -0.504635 8.24187 24.8136 1.85384 29.282 -53.8592 TIMING: 3055200 CPU: 8854.39, 0.00291658/step Wall: 8854.39, 0.00291658/step, 1.5756 hours remaining, 210.867188 MB of memory in use. ENERGY: 3055200 794.6491 2089.8882 1969.9563 105.9739 -206372.1548 17789.3443 0.0000 0.0000 33970.3668 -149651.9762 296.6717 -183622.3429 -149561.5129 298.0292 -19.4520 14.3540 556478.6960 5.8502 5.8257 PRESSURE: 3055400 -101.7 178.607 98.8699 178.607 -76.2896 54.2995 98.87 54.2989 -119.927 GPRESSURE: 3055400 -43.441 168.039 138.596 132.905 -68.1988 102.41 -15.4811 64.2181 -93.3374 PRESSAVG: 3055400 12.1686 -15.8927 46.9633 -15.8927 -13.8244 54.2256 46.9633 54.2256 11.3216 GPRESSAVG: 3055400 11.8367 -14.8212 49.6974 -17.0284 -14.3779 54.864 46.7405 53.095 11.9575 TIMING: 3055400 CPU: 8854.97, 0.00289766/step Wall: 8854.97, 0.00289766/step, 1.56522 hours remaining, 210.867188 MB of memory in use. ENERGY: 3055400 764.7942 2122.2602 1982.6197 105.8317 -206646.7830 17760.5569 0.0000 0.0000 34327.1285 -149583.5919 299.7874 -183910.7203 -149492.3057 298.1578 -99.3056 -68.3258 556640.0311 3.2220 3.1387 PRESSURE: 3055600 -288.315 -127.816 -13.8075 -127.816 -54.4534 31.2003 -13.8079 31.2002 140.697 GPRESSURE: 3055600 -270.542 -114.841 100.677 -89.0559 15.7506 -8.0795 -52.3882 75.4593 148.777 PRESSAVG: 3055600 -70.7231 11.3289 28.9505 11.3289 40.6657 31.3752 28.9505 31.3752 76.8919 GPRESSAVG: 3055600 -71.2624 12.0969 28.1845 10.4725 41.5612 29.4263 30.0141 32.1295 76.5018 TIMING: 3055600 CPU: 8855.55, 0.00291304/step Wall: 8855.55, 0.00291304/step, 1.57336 hours remaining, 211.066406 MB of memory in use. ENERGY: 3055600 774.7508 2094.3018 1980.0153 116.5543 -206526.4451 17753.8267 0.0000 0.0000 34084.8447 -149722.1513 297.6714 -183806.9961 -149632.5116 297.5791 -67.3571 -35.3379 556832.6881 15.6115 15.6002 PRESSURE: 3055800 193.477 106.552 -74.5445 106.551 -123.138 44.1894 -74.5437 44.1889 -61.7048 GPRESSURE: 3055800 221.118 65.4451 -12.3799 94.5548 -118.523 9.36648 -99.7824 -66.2895 7.93889 PRESSAVG: 3055800 -56.6535 -49.5215 34.5389 -49.5214 -33.7543 39.5921 34.539 39.5921 34.8239 GPRESSAVG: 3055800 -56.256 -50.6331 35.6895 -48.9375 -33.4989 41.6031 34.8878 41.2364 34.6155 TIMING: 3055800 CPU: 8856.13, 0.00288116/step Wall: 8856.13, 0.00288116/step, 1.55598 hours remaining, 211.066406 MB of memory in use. ENERGY: 3055800 784.0171 2067.4181 1987.1595 119.4137 -206842.2674 18026.3660 0.0000 0.0000 34118.4485 -149739.4445 297.9649 -183857.8930 -149641.4369 297.5844 2.8783 36.8444 558361.6229 -18.5280 -18.3798 PRESSURE: 3056000 -103.286 19.135 133.231 19.1354 -211.431 -85.5123 133.231 -85.5139 -137.535 GPRESSURE: 3056000 -39.1988 -11.0092 129.024 -25.9299 -239.158 -22.5963 166.286 7.01408 -81.2989 PRESSAVG: 3056000 55.7703 -8.38127 -12.7981 -8.38134 -42.3668 -6.14674 -12.7981 -6.14673 -7.84386 GPRESSAVG: 3056000 57.224 -7.91609 -15.0089 -9.46676 -43.6382 -6.0119 -13.119 -8.53916 -8.07216 TIMING: 3056000 CPU: 8856.7, 0.00288188/step Wall: 8856.7, 0.00288188/step, 1.55621 hours remaining, 211.066406 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: 3056000 772.2067 2057.0919 1967.1126 125.3415 -206678.8869 17808.1375 0.0000 0.0000 34092.4698 -149856.5268 297.7380 -183948.9965 -149759.9787 297.8835 -150.7508 -119.8852 557372.7425 1.8532 1.8379 PRESSURE: 3056200 -40.9859 -212.102 92.0844 -212.103 -319.712 129.218 92.0837 129.217 210.504 GPRESSURE: 3056200 -32.309 -132.152 -4.65706 -219.124 -290.072 57.9527 152.458 123.42 254.645 PRESSAVG: 3056200 78.0289 -30.1027 -3.07012 -30.1027 5.24719 3.73825 -3.07017 3.73803 -53.2453 GPRESSAVG: 3056200 77.3162 -28.6355 -1.44221 -31.8337 4.76526 2.11904 -3.95047 4.87599 -53.0797 TIMING: 3056200 CPU: 8857.28, 0.00289292/step Wall: 8857.28, 0.00289292/step, 1.56202 hours remaining, 211.066406 MB of memory in use. ENERGY: 3056200 748.4727 2134.7603 1948.0155 103.8429 -206799.9152 17852.5992 0.0000 0.0000 34201.5638 -149810.6607 298.6908 -184012.2245 -149719.6375 297.3577 -50.0647 -22.5786 557829.7137 10.0103 9.6673 LDB: ============= START OF LOAD BALANCING ============== 8860.66 LDB: ============== END OF LOAD BALANCING =============== 8860.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8860.67 LDB: ============= START OF LOAD BALANCING ============== 8860.95 LDB: Largest compute 4801 load 0.022973 is 19.5% of average load 0.117964 LDB: Average compute 0.001732 is 1.5% of average load 0.117964 LDB: TIME 8860.96 LOAD: AVG 0.117964 MAX 0.175906 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.008 MB LDB: TIME 8860.96 LOAD: AVG 0.117964 MAX 0.175906 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.008 MB LDB: TIME 8860.96 LOAD: AVG 0.117964 MAX 0.175906 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.008 MB LDB: ============== END OF LOAD BALANCING =============== 8860.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8860.96 PRESSURE: 3056400 97.4508 75.0308 -182.584 75.0288 -33.6935 25.3944 -182.584 25.3916 52.6655 GPRESSURE: 3056400 125.581 -29.6643 -116.634 130.183 -9.11198 52.7473 -152.791 -54.0931 104.947 PRESSAVG: 3056400 -4.89291 -40.9113 -6.23601 -40.9113 -28.1635 -4.79171 -6.23606 -4.79177 17.3345 GPRESSAVG: 3056400 -5.26624 -43.3275 -5.84542 -38.9335 -27.0642 -2.95093 -7.98948 -5.6539 16.6218 TIMING: 3056400 CPU: 8857.87, 0.00292174/step Wall: 8857.87, 0.00292174/step, 1.57741 hours remaining, 208.035156 MB of memory in use. ENERGY: 3056400 797.5660 2149.1723 1966.5924 116.5212 -207090.6155 18211.5563 0.0000 0.0000 34225.6145 -149623.5928 298.9008 -183849.2072 -149530.6917 298.0949 38.8076 73.8052 558004.8855 -5.2407 -5.2362 PRESSURE: 3056600 -142.874 -106.263 -51.3442 -106.262 -34.8847 -165.51 -51.3436 -165.51 -91.3354 GPRESSURE: 3056600 -159.126 -139.844 -42.1322 -110.536 12.0529 -137.216 -104.115 -177.636 -3.28347 PRESSAVG: 3056600 -25.55 -7.20156 26.7336 -7.20158 12.2966 15.2721 26.7337 15.2722 44.8467 GPRESSAVG: 3056600 -25.8828 -6.72421 26.3039 -5.27079 12.5378 16.2069 29.5261 14.7904 45.2438 TIMING: 3056600 CPU: 8858.44, 0.00286409/step Wall: 8858.44, 0.00286409/step, 1.54613 hours remaining, 208.035156 MB of memory in use. ENERGY: 3056600 757.9048 2148.6863 1982.0894 117.0942 -206662.1986 17981.1528 0.0000 0.0000 34102.5765 -149572.6945 297.8263 -183675.2710 -149478.6818 297.9432 -89.6980 -50.1188 557524.9305 10.5311 10.6329 PRESSURE: 3056800 -193.988 -36.1621 -72.9757 -36.1614 -177.707 75.1282 -72.9752 75.1275 -117.893 GPRESSURE: 3056800 -151.913 -92.9285 -54.6348 -78.986 -96.4036 68.5106 15.1745 84.1354 -123.26 PRESSAVG: 3056800 -18.3509 13.9832 7.55008 13.9832 -5.65199 -92.6744 7.55011 -92.6744 11.3332 GPRESSAVG: 3056800 -17.484 13.5138 6.70759 11.4848 -5.88018 -93.5421 8.74943 -91.8822 10.6886 TIMING: 3056800 CPU: 8859.01, 0.0028625/step Wall: 8859.01, 0.0028625/step, 1.54511 hours remaining, 208.035156 MB of memory in use. ENERGY: 3056800 753.3759 2093.3186 1953.1506 103.9296 -206156.9423 17635.3586 0.0000 0.0000 33990.9050 -149626.9040 296.8510 -183617.8090 -149531.8390 298.1831 -163.1960 -123.8588 558274.5520 -4.2232 -4.2252 PRESSURE: 3057000 133.499 -156.256 176.676 -156.257 84.8574 74.2115 176.675 74.2106 -193.399 GPRESSURE: 3057000 181.813 -30.3453 250.562 -300.602 82.5264 129.903 100.608 48.6829 -143.198 PRESSAVG: 3057000 36.2803 29.3365 17.3623 29.3365 67.0969 45.7852 17.3624 45.7853 -55.9153 GPRESSAVG: 3057000 35.8282 30.3114 17.168 28.7283 67.0308 46.6472 17.8657 43.6839 -55.4565 TIMING: 3057000 CPU: 8859.59, 0.00288044/step Wall: 8859.59, 0.00288044/step, 1.55464 hours remaining, 208.035156 MB of memory in use. ENERGY: 3057000 744.6717 2095.6346 1942.2474 118.0648 -206497.8510 17909.4959 0.0000 0.0000 33878.9205 -149808.8160 295.8730 -183687.7365 -149717.8453 296.9656 8.3190 40.3806 557581.2951 15.8206 15.8008 PRESSURE: 3057200 -126.555 8.5936 -2.57824 8.59281 154.262 -129.598 -2.5778 -129.599 344.591 GPRESSURE: 3057200 -85.9997 2.51698 -86.0859 -33.1456 204.312 -123.84 41.6445 -126.037 357.564 PRESSAVG: 3057200 -19.1291 -29.1112 -17.7225 -29.1112 -10.5685 -2.26315 -17.7223 -2.26311 18.1392 GPRESSAVG: 3057200 -20.1668 -29.3773 -15.8136 -30.2574 -9.32086 -2.1477 -18.9381 -1.15969 18.2458 TIMING: 3057200 CPU: 8860.17, 0.0028916/step Wall: 8860.17, 0.0028916/step, 1.5605 hours remaining, 208.035156 MB of memory in use. ENERGY: 3057200 755.2069 2108.2756 1932.7557 118.5384 -206708.7117 18072.7643 0.0000 0.0000 33979.0579 -149742.1129 296.7476 -183721.1708 -149654.5568 297.4387 124.0995 158.6254 556131.2715 -3.8528 -3.7473 PRESSURE: 3057400 75.0173 -140.337 150.63 -140.334 -85.0188 -76.2107 150.631 -76.2076 -74.2132 GPRESSURE: 3057400 108.969 -121.912 113.09 -56.9852 -24.3729 -57.1943 109.014 -77.6578 -68.4538 PRESSAVG: 3057400 -20.4111 -34.2007 2.38865 -34.2006 -1.48843 31.4345 2.38848 31.4345 23.3307 GPRESSAVG: 3057400 -19.1903 -35.1156 0.399236 -32.3109 -3.41126 30.6933 3.65254 32.4618 24.3653 TIMING: 3057400 CPU: 8860.74, 0.00285951/step Wall: 8860.74, 0.00285951/step, 1.54302 hours remaining, 208.332031 MB of memory in use. ENERGY: 3057400 765.1782 2105.4794 1924.9042 114.4228 -206541.1028 17956.3538 0.0000 0.0000 34088.8635 -149585.9009 297.7065 -183674.7644 -149492.1738 298.1766 -28.0716 5.3809 556528.7876 0.4771 0.5879 PRESSURE: 3057600 -82.2814 70.6575 84.6457 70.6579 -349.002 35.4589 84.6457 35.4608 31.7307 GPRESSURE: 3057600 -62.4651 -78.14 109.362 139.178 -342.474 33.989 76.6885 25.4736 100.193 PRESSAVG: 3057600 2.72908 -21.3065 -1.95749 -21.3064 34.2101 17.8953 -1.95751 17.8952 -46.4436 GPRESSAVG: 3057600 2.52684 -22.2244 -0.85769 -19.9211 36.488 18.2206 -3.42805 17.6091 -48.1495 TIMING: 3057600 CPU: 8861.31, 0.00286185/step Wall: 8861.31, 0.00286185/step, 1.54413 hours remaining, 208.332031 MB of memory in use. ENERGY: 3057600 768.4096 2087.3158 1970.3622 105.8470 -206668.0053 17729.0184 0.0000 0.0000 34119.9882 -149887.0642 297.9783 -184007.0523 -149781.9921 298.3099 -133.1842 -101.5819 556634.4676 -3.1681 -3.0449 PRESSURE: 3057800 10.6119 -67.9912 7.14926 -67.9918 -130.616 -29.6756 7.14846 -29.6764 -149.545 GPRESSURE: 3057800 60.7319 -101.922 -73.8567 -38.9389 -118.798 -95.0761 63.3175 -4.91931 -110.309 PRESSAVG: 3057800 67.4742 -0.708674 -48.5851 -0.708698 -63.7409 -13.1982 -48.5851 -13.1982 25.8119 GPRESSAVG: 3057800 67.3376 0.268094 -48.1912 -0.299456 -64.7677 -14.3232 -46.9074 -11.5575 27.3168 TIMING: 3057800 CPU: 8861.89, 0.00289912/step Wall: 8861.89, 0.00289912/step, 1.56408 hours remaining, 208.332031 MB of memory in use. ENERGY: 3057800 746.3760 2091.4789 1953.5081 116.2387 -206645.5121 17763.9888 0.0000 0.0000 34059.0022 -149914.9195 297.4457 -183973.9217 -149812.4510 297.9372 -89.8498 -56.1250 556095.4909 9.8484 9.9623 PRESSURE: 3058000 -319.327 -227.625 -8.51089 -227.625 -200.456 28.682 -8.5125 28.6838 -272.121 GPRESSURE: 3058000 -259.326 -115.804 -20.1613 -318.456 -197.993 67.9474 58.6472 8.86512 -234.488 PRESSAVG: 3058000 -77.6345 -37.8482 8.78067 -37.8482 26.538 15.2365 8.78055 15.2366 47.214 GPRESSAVG: 3058000 -78.7093 -36.9379 7.57103 -40.5075 27.9654 15.8825 7.54542 14.7253 47.058 TIMING: 3058000 CPU: 8862.47, 0.00289121/step Wall: 8862.47, 0.00289121/step, 1.55965 hours remaining, 208.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3058000 757.6948 2039.1710 1941.1912 110.2371 -206058.5891 17467.5786 0.0000 0.0000 34189.5439 -149553.1726 298.5858 -183742.7165 -149456.7999 298.1093 -263.9684 -230.6025 558144.3003 -1.2942 -1.2286 PRESSURE: 3058200 279.119 47.385 -97.9966 47.386 75.474 -137.494 -97.9963 -137.494 -91.1338 GPRESSURE: 3058200 332.779 60.5752 -155.649 92.2269 77.2258 -165.437 -109.06 -81.9817 -44.6712 PRESSAVG: 3058200 25.6664 -37.1928 -7.74375 -37.1928 2.88125 4.00822 -7.74382 4.0083 25.0119 GPRESSAVG: 3058200 26.5619 -37.0921 -6.44146 -36.5833 2.06776 3.47796 -8.22515 1.07244 25.1931 TIMING: 3058200 CPU: 8863.05, 0.00288837/step Wall: 8863.05, 0.00288837/step, 1.55795 hours remaining, 208.398438 MB of memory in use. ENERGY: 3058200 749.4862 2078.4306 1963.0390 117.6565 -206577.3313 17952.3702 0.0000 0.0000 34082.3488 -149634.0001 297.6496 -183716.3489 -149537.0769 298.4317 87.8198 121.7780 555539.7166 17.8532 17.9409 PRESSURE: 3058400 -52.8562 -42.9586 -71.9234 -42.9598 224.763 123.432 -71.9228 123.432 23.6164 GPRESSURE: 3058400 -22.528 -30.0132 -93.2884 -89.6651 262.114 95.5166 -0.595791 170.623 63.6344 PRESSAVG: 3058400 -10.5473 10.1168 -47.5093 10.1167 -12.9891 -34.6007 -47.5093 -34.6007 -9.69564 GPRESSAVG: 3058400 -11.0645 10.7916 -49.3111 7.6814 -12.9013 -34.5726 -43.8352 -33.3813 -9.65698 TIMING: 3058400 CPU: 8863.63, 0.00289557/step Wall: 8863.63, 0.00289556/step, 1.56167 hours remaining, 208.398438 MB of memory in use. ENERGY: 3058400 733.2596 2065.0755 1957.4442 118.5132 -206472.7247 17897.4562 0.0000 0.0000 34119.0687 -149581.9073 297.9703 -183700.9760 -149488.2299 297.8464 65.1745 101.0736 555196.6091 -11.0774 -11.2076 PRESSURE: 3058600 14.9555 -4.06605 -108.701 -4.06686 -154.776 159.787 -108.7 159.786 -203.604 GPRESSURE: 3058600 -4.80638 6.74179 -118.26 80.0434 -119.001 265.024 -188.164 68.6513 -106.347 PRESSAVG: 3058600 -64.5588 6.86938 33.5673 6.86938 29.2516 55.2146 33.5674 55.2147 42.5797 GPRESSAVG: 3058600 -64.3861 5.55486 34.5878 9.40235 28.9821 55.6228 30.6248 55.5393 43.2355 TIMING: 3058600 CPU: 8864.2, 0.00288011/step Wall: 8864.2, 0.00288011/step, 1.55318 hours remaining, 208.398438 MB of memory in use. ENERGY: 3058600 764.4128 2021.0420 1934.4582 108.1572 -205979.6800 17530.4196 0.0000 0.0000 34134.2610 -149486.9291 298.1030 -183621.1901 -149391.0362 298.2179 -114.4750 -76.7180 555632.1035 2.4242 2.6105 PRESSURE: 3058800 298.256 31.8477 119.215 31.8473 167.919 -94.3304 119.214 -94.3305 64.7938 GPRESSURE: 3058800 365.819 56.6462 174.961 52.7018 172.796 -139.98 84.6063 -65.4833 66.8778 PRESSAVG: 3058800 -26.3225 67.567 35.5369 67.567 4.55268 35.2995 35.5369 35.2995 -4.80775 GPRESSAVG: 3058800 -25.9727 66.1563 34.8081 66.698 3.25462 34.482 37.0171 35.8247 -4.42659 TIMING: 3058800 CPU: 8864.78, 0.00287478/step Wall: 8864.78, 0.00287478/step, 1.55015 hours remaining, 208.398438 MB of memory in use. ENERGY: 3058800 756.3875 2136.0646 1947.3750 109.7710 -206599.5081 18041.0041 0.0000 0.0000 34156.0736 -149452.8323 298.2935 -183608.9060 -149361.6134 298.3268 176.9897 201.8307 555290.9967 -8.8592 -9.0482 PRESSURE: 3059000 123.281 -58.3786 -61.2346 -58.3788 -135.342 -37.1001 -61.2346 -37.1014 -136.86 GPRESSURE: 3059000 90.9888 8.06983 -111.905 -94.2504 -86.3921 -38.6089 -17.411 25.6476 -67.7558 PRESSAVG: 3059000 24.8885 -21.8303 18.2755 -21.8303 28.8843 -18.6311 18.2756 -18.6311 -79.8329 GPRESSAVG: 3059000 23.8201 -19.431 19.6864 -22.3925 30.4874 -16.7498 16.2333 -20.2116 -80.2967 TIMING: 3059000 CPU: 8865.35, 0.002874/step Wall: 8865.35, 0.002874/step, 1.54957 hours remaining, 208.398438 MB of memory in use. ENERGY: 3059000 732.8652 2093.7553 1944.4319 112.0374 -206094.8422 17468.7542 0.0000 0.0000 34167.0654 -149575.9329 298.3895 -183742.9983 -149470.9787 298.0941 -49.6406 -21.0531 556286.5222 -8.6867 -8.6631 PRESSURE: 3059200 -23.181 -59.1431 -63.1954 -59.1427 142.083 162.439 -63.1963 162.438 204.802 GPRESSURE: 3059200 30.4714 -32.0837 16.7112 -122.916 174.417 166.499 -130.488 169.481 210.547 PRESSAVG: 3059200 31.782 13.5058 23.7874 13.5058 -23.8199 15.1232 23.7873 15.1233 15.9196 GPRESSAVG: 3059200 33.0112 12.8693 24.1334 15.6911 -25.0725 15.1534 22.6179 15.6566 16.2846 TIMING: 3059200 CPU: 8865.93, 0.00289682/step Wall: 8865.93, 0.00289682/step, 1.56171 hours remaining, 208.398438 MB of memory in use. ENERGY: 3059200 738.6668 2135.4846 1945.2458 106.7415 -206915.2520 18196.9728 0.0000 0.0000 34183.4050 -149608.7355 298.5322 -183792.1405 -149508.8911 298.7121 107.9013 138.4786 556725.3980 7.9605 8.0744 PRESSURE: 3059400 -169.966 35.1232 61.9863 35.1221 -147.256 142.699 61.9852 142.699 -260.578 GPRESSURE: 3059400 -107.137 49.0782 -12.5226 14.0139 -139.859 126.511 51.7726 101.593 -224.227 PRESSAVG: 3059400 -11.7358 -65.2078 -11.813 -65.2079 66.7772 13.5695 -11.813 13.5694 -62.0862 GPRESSAVG: 3059400 -11.502 -63.5245 -15.1237 -66.5669 67.4766 11.9176 -8.5496 13.8067 -62.7189 TIMING: 3059400 CPU: 8866.51, 0.00290061/step Wall: 8866.51, 0.00290061/step, 1.56359 hours remaining, 208.398438 MB of memory in use. ENERGY: 3059400 747.6517 2032.2723 1985.8590 109.2627 -206210.6021 17639.6192 0.0000 0.0000 34080.9238 -149615.0135 297.6372 -183695.9372 -149510.5575 298.7028 -192.5999 -157.0746 559090.0578 -2.3483 -2.2481 PRESSURE: 3059600 -131.892 53.4567 70.8699 53.4555 -32.3737 154.644 70.8703 154.644 261.807 GPRESSURE: 3059600 -44.9709 80.2984 33.7301 -6.74504 -46.0241 154.371 8.44034 86.425 286.111 PRESSAVG: 3059600 39.3017 9.03415 -6.54266 9.03407 -14.4777 49.6811 -6.54262 49.681 -32.1448 GPRESSAVG: 3059600 39.5389 5.85071 -4.37566 10.837 -13.901 49.1562 -8.54281 48.7531 -33.2184 TIMING: 3059600 CPU: 8867.09, 0.00289494/step Wall: 8867.09, 0.00289493/step, 1.56037 hours remaining, 208.398438 MB of memory in use. ENERGY: 3059600 763.7124 2056.2427 1949.7671 116.5509 -206440.6589 17950.5059 0.0000 0.0000 34064.0024 -149539.8775 297.4894 -183603.8799 -149442.0930 298.3071 32.5137 65.0386 557993.7035 -2.4402 -2.5268 PRESSURE: 3059800 -122.371 44.0238 63.9821 44.0248 168.815 75.0439 63.9816 75.0425 194.177 GPRESSURE: 3059800 -81.2133 -4.80486 120.97 54.569 176.432 59.0851 93.5988 68.3938 243.435 PRESSAVG: 3059800 -9.93746 -21.3632 -51.4748 -21.3632 66.5686 53.9627 -51.4748 53.9626 -29.0129 GPRESSAVG: 3059800 -10.8127 -20.817 -51.3878 -22.3015 66.9632 56.2719 -50.9913 53.1268 -28.7438 TIMING: 3059800 CPU: 8867.67, 0.00292055/step Wall: 8867.67, 0.00292055/step, 1.57402 hours remaining, 208.398438 MB of memory in use. ENERGY: 3059800 724.5955 2056.8517 1979.1164 123.8309 -206389.3968 17938.2524 0.0000 0.0000 34153.5848 -149413.1651 298.2718 -183566.7499 -149312.9342 298.7289 80.2069 112.8843 556743.6127 9.2061 9.1355 PRESSURE: 3060000 47.2994 -153.256 182.791 -153.257 -10.117 35.4996 182.79 35.4991 -97.4249 GPRESSURE: 3060000 32.167 -182.477 228.695 -72.5858 45.2229 8.27969 103.177 87.5711 -52.2731 PRESSAVG: 3060000 -60.2065 -30.3321 -61.9509 -30.332 -26.2597 -17.6221 -61.951 -17.6222 23.3532 GPRESSAVG: 3060000 -60.4769 -30.9167 -61.89 -28.9585 -26.0734 -18.8573 -61.4414 -15.7948 22.959 TIMING: 3060000 CPU: 8868.26, 0.00291134/step Wall: 8868.26, 0.00291134/step, 1.56889 hours remaining, 208.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3060000 714.5177 2125.8487 1959.4168 111.7977 -206150.4789 17641.9060 0.0000 0.0000 34180.5890 -149416.4031 298.5076 -183596.9921 -149318.1629 298.9483 -20.0808 8.3723 556448.6748 -21.0376 -21.1971 PRESSURE: 3060200 101.056 -76.68 -1.23706 -76.6779 -229.69 -140.796 -1.23636 -140.795 -71.4519 GPRESSURE: 3060200 149.071 -84.9098 2.22459 -56.5925 -168.115 -204.528 -23.378 -174.857 -81.9187 PRESSAVG: 3060200 16.6412 -62.866 -64.5855 -62.8661 -26.9933 -19.7789 -64.5854 -19.7791 25.1257 GPRESSAVG: 3060200 16.2525 -63.6034 -60.8659 -63.6434 -27.6652 -18.8081 -66.4158 -22.5952 26.0441 TIMING: 3060200 CPU: 8868.83, 0.00288053/step Wall: 8868.83, 0.00288053/step, 1.55213 hours remaining, 208.398438 MB of memory in use. ENERGY: 3060200 730.1279 2011.9933 1953.0067 118.7858 -206180.6888 17873.6422 0.0000 0.0000 34188.2135 -149304.9195 298.5742 -183493.1330 -149204.4694 298.8751 -66.6952 -33.6543 556935.8349 4.9245 4.8771 LDB: ============= START OF LOAD BALANCING ============== 8872.22 LDB: ============== END OF LOAD BALANCING =============== 8872.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8872.22 LDB: ============= START OF LOAD BALANCING ============== 8872.51 LDB: Largest compute 4800 load 0.023253 is 19.7% of average load 0.118005 LDB: Average compute 0.001725 is 1.5% of average load 0.118005 LDB: TIME 8872.51 LOAD: AVG 0.118005 MAX 0.17576 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.934 MB LDB: TIME 8872.51 LOAD: AVG 0.118005 MAX 0.17576 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.934 MB LDB: TIME 8872.51 LOAD: AVG 0.118005 MAX 0.17576 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.934 MB LDB: ============== END OF LOAD BALANCING =============== 8872.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8872.52 PRESSURE: 3060400 135.671 -1.52617 -44.1151 -1.52532 443.448 256.465 -44.1154 256.465 121.424 GPRESSURE: 3060400 234.98 -47.5775 -50.5468 96.7364 401.814 165.616 15.5394 229.268 150.528 PRESSAVG: 3060400 9.66243 22.8646 20.8268 22.8647 33.6761 -22.7665 20.8268 -22.7665 -39.4008 GPRESSAVG: 3060400 10.6299 23.2281 16.977 22.7569 34.1957 -24.4159 24.8539 -21.1225 -41.4963 TIMING: 3060400 CPU: 8869.42, 0.00295299/step Wall: 8869.42, 0.00295299/step, 1.59101 hours remaining, 209.835938 MB of memory in use. ENERGY: 3060400 775.8019 2083.0081 1958.8319 118.1834 -206565.1132 18255.7791 0.0000 0.0000 34268.0809 -149105.4278 299.2717 -183373.5086 -149008.0627 299.3488 233.5141 262.4406 556386.9715 1.3126 1.1098 PRESSURE: 3060600 49.0807 156.333 -10.6263 156.332 158.311 -82.366 -10.627 -82.3663 208.748 GPRESSURE: 3060600 135.944 95.0007 70.0212 173.775 187.757 -139.17 -56.2353 -112.172 186.075 PRESSAVG: 3060600 -42.8212 -25.1916 56.3292 -25.1916 22.8151 47.48 56.3292 47.48 12.881 GPRESSAVG: 3060600 -42.5638 -22.9535 57.1157 -26.8994 22.2715 47.5057 53.1407 49.0186 12.8761 TIMING: 3060600 CPU: 8870.01, 0.00291009/step Wall: 8870.01, 0.00291009/step, 1.56773 hours remaining, 210.093750 MB of memory in use. ENERGY: 3060600 744.4790 2103.1419 1955.2058 109.3652 -206258.3506 17968.7051 0.0000 0.0000 34397.6451 -148979.8086 300.4032 -183377.4537 -148880.7705 300.6990 138.7131 169.9255 557464.3776 -2.3750 -2.4721 PRESSURE: 3060800 117.02 -4.04086 150.061 -4.04264 -0.926713 -28.8518 150.06 -28.852 94.4319 GPRESSURE: 3060800 192.892 -34.6939 66.2808 -17.1354 -8.5188 -102.68 166.307 -28.2626 118.589 PRESSAVG: 3060800 -11.6064 30.3812 42.2007 30.3812 -26.2513 -21.3214 42.2007 -21.3214 41.864 GPRESSAVG: 3060800 -12.0204 29.5499 41.1292 31.0091 -26.607 -20.9703 42.4093 -22.9546 43.1101 TIMING: 3060800 CPU: 8870.58, 0.00289166/step Wall: 8870.58, 0.00289166/step, 1.55764 hours remaining, 210.093750 MB of memory in use. ENERGY: 3060800 747.6978 2084.2007 1956.6113 105.4800 -205852.0189 17793.4379 0.0000 0.0000 34184.4730 -148980.1182 298.5415 -183164.5912 -148882.3283 299.3839 70.1752 100.9875 557374.7901 1.3354 1.4942 PRESSURE: 3061000 227.022 -224.655 -48.9542 -224.655 -13.2923 45.7405 -48.9547 45.7398 125.803 GPRESSURE: 3061000 190.376 -182.13 -39.1019 -224.325 8.68848 52.5387 -89.2803 -25.1287 237.383 PRESSAVG: 3061000 -21.5435 -25.3868 27.3424 -25.3868 -23.5081 -24.432 27.3424 -24.4319 40.1037 GPRESSAVG: 3061000 -22.5565 -24.3317 29.1714 -25.262 -22.6195 -24.3827 27.9984 -25.3161 40.0171 TIMING: 3061000 CPU: 8871.16, 0.00289627/step Wall: 8871.16, 0.00289626/step, 1.55996 hours remaining, 210.281250 MB of memory in use. ENERGY: 3061000 722.7681 2123.8969 1963.7403 104.3093 -206243.0774 17920.2016 0.0000 0.0000 34337.8731 -149070.2879 299.8812 -183408.1611 -148975.6984 299.7495 113.1774 145.4824 557258.0152 -1.6493 -1.7196 PRESSURE: 3061200 -113.843 77.168 96.4766 77.1671 -57.3428 159.406 96.475 159.406 -57.6799 GPRESSURE: 3061200 -38.3222 40.2003 108.178 -45.7137 -42.3931 266.189 110.65 108.832 -52.6725 PRESSAVG: 3061200 -27.2897 -20.0047 2.36475 -20.0048 12.1018 8.60087 2.36477 8.60094 9.37142 GPRESSAVG: 3061200 -25.0781 -21.3762 0.106055 -20.4549 10.9044 8.04778 4.41528 9.5072 8.71041 TIMING: 3061200 CPU: 8871.75, 0.0029393/step Wall: 8871.75, 0.0029393/step, 1.58298 hours remaining, 210.281250 MB of memory in use. ENERGY: 3061200 743.0134 2082.8231 2006.8175 101.1346 -205828.7293 17569.2781 0.0000 0.0000 34199.8693 -149125.7933 298.6760 -183325.6626 -149030.9169 299.5284 -76.2886 -44.4626 557605.2577 -1.9388 -1.8211 PRESSURE: 3061400 -415.45 -13.0644 52.6172 -13.0648 -74.0435 112.714 52.6179 112.714 -318.464 GPRESSURE: 3061400 -379.264 -10.9993 -64.5558 1.46644 -39.7576 113.47 97.0197 134.215 -283.056 PRESSAVG: 3061400 -55.2825 26.6215 -3.25362 26.6215 10.3328 28.8975 -3.25368 28.8976 5.72796 GPRESSAVG: 3061400 -56.4254 27.3637 -2.16988 26.9018 12.5142 31.2386 -3.80499 28.6327 4.76104 TIMING: 3061400 CPU: 8872.33, 0.00291627/step Wall: 8872.33, 0.00291627/step, 1.57041 hours remaining, 210.281250 MB of memory in use. ENERGY: 3061400 772.8013 2087.9023 1966.5441 110.7212 -205971.0826 17476.8100 0.0000 0.0000 34194.7564 -149361.5471 298.6313 -183556.3036 -149259.0434 299.0662 -269.3194 -234.0258 557078.6281 -13.0739 -13.0500 PRESSURE: 3061600 164.816 -43.508 -52.7735 -43.5084 81.7286 72.2434 -52.7729 72.2418 21.4739 GPRESSURE: 3061600 196.223 -74.3167 -35.7847 16.5424 154.367 28.2143 9.66642 91.9392 7.16777 PRESSAVG: 3061600 -9.31141 11.4189 -30.1714 11.4189 48.8913 34.5243 -30.1714 34.5242 -29.4142 GPRESSAVG: 3061600 -8.75685 12.1461 -31.0577 13.2141 47.205 33.4688 -30.6502 34.1457 -28.3462 TIMING: 3061600 CPU: 8872.91, 0.00290317/step Wall: 8872.91, 0.00290318/step, 1.5632 hours remaining, 210.281250 MB of memory in use. ENERGY: 3061600 741.4089 2101.4956 1959.5418 117.9898 -206584.0019 18096.4309 0.0000 0.0000 34234.0736 -149333.0613 298.9747 -183567.1349 -149236.8707 298.8940 89.3394 119.2528 556380.2246 3.3886 3.3673 PRESSURE: 3061800 -11.506 -274.048 176.638 -274.049 97.8715 -6.61143 176.639 -6.61221 -159.861 GPRESSURE: 3061800 22.4991 -290.318 213.948 -297.989 125.468 -13.8461 124.838 68.9516 -120.903 PRESSAVG: 3061800 5.06199 -3.42135 -51.9572 -3.42131 49.4571 -1.45944 -51.9573 -1.45937 -90.9897 GPRESSAVG: 3061800 4.00057 -3.65709 -50.1314 -6.85437 49.9654 -1.20128 -52.616 -1.08828 -89.6811 TIMING: 3061800 CPU: 8873.5, 0.00291934/step Wall: 8873.5, 0.00291934/step, 1.57174 hours remaining, 210.281250 MB of memory in use. ENERGY: 3061800 746.9955 2070.0795 1965.2475 120.4251 -206099.5198 17767.5569 0.0000 0.0000 34259.4945 -149169.7208 299.1967 -183429.2153 -149069.6969 298.7240 -24.4983 9.0212 556890.7445 -12.1569 -11.9051 PRESSURE: 3062000 100.321 23.5488 -43.6765 23.5485 118.445 -24.2859 -43.6763 -24.2874 50.349 GPRESSURE: 3062000 147.061 70.6749 -19.6743 -45.1365 103.008 -17.0741 -122.055 18.0539 109.589 PRESSAVG: 3062000 6.12704 0.72472 -5.69693 0.724684 -25.0686 -5.28907 -5.6969 -5.28913 20.5665 GPRESSAVG: 3062000 5.67946 1.30511 -7.95827 2.15349 -24.7748 -4.71863 -6.75545 -5.44737 20.44 TIMING: 3062000 CPU: 8874.07, 0.00287904/step Wall: 8874.07, 0.00287904/step, 1.54988 hours remaining, 210.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3062000 734.3272 2135.7789 1961.9836 110.9624 -206002.7194 17684.8722 0.0000 0.0000 34173.4595 -149201.3357 298.4453 -183374.7952 -149112.5684 298.8766 89.7049 119.8861 555455.4797 0.5417 0.4482 PRESSURE: 3062200 145.346 5.83072 -86.386 5.82977 104.394 -89.7248 -86.3858 -89.7244 -183.301 GPRESSURE: 3062200 131.868 3.52626 -109.435 71.8364 81.3235 -126.265 -44.0439 -92.9496 -63.7081 PRESSAVG: 3062200 56.9989 -68.2609 5.20717 -68.2609 -75.0829 29.1912 5.20724 29.1912 24.0179 GPRESSAVG: 3062200 58.7381 -68.1145 6.16864 -68.6671 -76.4278 29.8349 5.2804 27.9254 23.9232 TIMING: 3062200 CPU: 8874.65, 0.00287822/step Wall: 8874.65, 0.00287822/step, 1.54928 hours remaining, 210.281250 MB of memory in use. ENERGY: 3062200 740.1944 2083.4489 1968.0497 115.4680 -206250.1279 17833.8422 0.0000 0.0000 34426.9343 -149082.1903 300.6590 -183509.1246 -148982.1319 299.9886 22.1463 49.8276 557468.7050 1.9779 2.0778 PRESSURE: 3062400 -192.408 -55.8439 26.6867 -55.8445 24.174 -22.2522 26.6863 -22.2532 82.9006 GPRESSURE: 3062400 -185.879 -103.99 -82.7321 -97.0417 89.3407 -83.8364 54.0642 -30.3681 119.356 PRESSAVG: 3062400 13.9114 -26.0291 14.1515 -26.0292 -42.7551 -44.169 14.1514 -44.169 39.7231 GPRESSAVG: 3062400 13.7203 -25.2218 13.3253 -27.0537 -42.6067 -45.4054 15.2267 -43.232 40.673 TIMING: 3062400 CPU: 8875.23, 0.00290165/step Wall: 8875.23, 0.00290165/step, 1.56173 hours remaining, 210.281250 MB of memory in use. ENERGY: 3062400 725.9168 2061.0171 1966.0853 118.4481 -206354.1976 17729.3570 0.0000 0.0000 34654.8704 -149098.5030 302.6496 -183753.3733 -149002.1909 300.4923 -28.4446 7.6058 558045.1636 3.6265 3.9289 PRESSURE: 3062600 184.846 39.7695 -20.4845 39.7693 107.54 -0.706577 -20.4833 -0.707914 -60.1177 GPRESSURE: 3062600 225.847 57.3451 -81.2445 72.7894 147.502 -63.9105 50.7564 -5.58847 -35.2834 PRESSAVG: 3062600 13.7353 -37.4514 8.4109 -37.4514 -6.25694 -27.8471 8.41095 -27.8471 10.3047 GPRESSAVG: 3062600 13.3367 -38.4484 9.48114 -35.3426 -6.24042 -25.4197 8.54395 -29.7785 11.2203 TIMING: 3062600 CPU: 8875.81, 0.00290007/step Wall: 8875.81, 0.00290007/step, 1.56072 hours remaining, 210.281250 MB of memory in use. ENERGY: 3062600 724.0431 2137.1055 1973.8513 124.3582 -206086.9670 17877.0606 0.0000 0.0000 34279.6000 -148970.9483 299.3723 -183250.5483 -148873.2842 299.5148 77.4228 112.6885 558129.0907 5.9277 6.1055 PRESSURE: 3062800 144.213 115.639 -48.9619 115.639 -130.448 -78.5651 -48.9605 -78.5662 202.583 GPRESSURE: 3062800 109.622 68.4686 -63.715 81.4678 -76.1339 -129.052 -63.0959 -68.4642 281.829 PRESSAVG: 3062800 0.945411 -9.73297 5.59649 -9.73307 -66.6918 -18.4742 5.59654 -18.4741 56.8634 GPRESSAVG: 3062800 1.65074 -11.2838 6.10199 -11.4636 -66.2722 -19.3862 1.93798 -16.4687 55.987 TIMING: 3062800 CPU: 8876.39, 0.00290927/step Wall: 8876.39, 0.00290927/step, 1.56551 hours remaining, 210.523438 MB of memory in use. ENERGY: 3062800 722.7762 2120.1901 1948.0875 110.3753 -206325.3769 18136.5082 0.0000 0.0000 34301.9388 -148985.5007 299.5674 -183287.4395 -148881.8092 300.0191 72.1157 105.1057 559163.3660 -2.9610 -2.8781 PRESSURE: 3063000 -74.2981 -138.073 -115.307 -138.073 82.189 -20.935 -115.306 -20.9364 -156.764 GPRESSURE: 3063000 -2.7428 -67.2484 -71.9912 -201.67 99.247 2.57688 -138.839 -39.8153 -144.836 PRESSAVG: 3063000 39.0081 -28.8744 -26.8584 -28.8744 -38.0388 -22.7259 -26.8584 -22.7258 12.3116 GPRESSAVG: 3063000 39.0383 -29.2412 -28.1924 -26.6224 -38.0733 -22.7466 -24.0887 -23.1873 12.2922 TIMING: 3063000 CPU: 8876.97, 0.00290142/step Wall: 8876.97, 0.00290142/step, 1.56112 hours remaining, 210.523438 MB of memory in use. ENERGY: 3063000 743.1726 2084.7081 1961.6598 114.6990 -206003.3904 17705.1781 0.0000 0.0000 34305.7577 -149088.2151 299.6007 -183393.9728 -148993.9537 300.0947 -49.6243 -16.1108 558094.2655 4.4270 4.4190 PRESSURE: 3063200 -57.7032 -94.2018 -163.515 -94.2025 -23.7134 -27.297 -163.515 -27.2966 293.37 GPRESSURE: 3063200 -41.9631 -39.4555 -103.826 -123.233 0.918439 -8.42951 -124.399 4.24413 345.773 PRESSAVG: 3063200 2.20566 2.98195 -26.7877 2.98195 8.79683 23.9321 -26.7877 23.9321 -0.873977 GPRESSAVG: 3063200 1.58306 5.89626 -27.2454 0.0369529 9.75011 22.6957 -26.4905 24.5644 -1.12532 TIMING: 3063200 CPU: 8877.56, 0.00292009/step Wall: 8877.56, 0.00292009/step, 1.57101 hours remaining, 210.523438 MB of memory in use. ENERGY: 3063200 751.5146 2042.0407 1971.2394 115.2459 -206012.0212 17846.9045 0.0000 0.0000 34262.1255 -149022.9506 299.2197 -183285.0761 -148922.1656 299.3153 70.6512 101.5761 556833.1490 3.3762 3.4026 PRESSURE: 3063400 144.431 -177.28 52.1362 -177.279 47.5025 -62.2203 52.1365 -62.2222 141.23 GPRESSURE: 3063400 165.504 -183.346 54.6266 -127.385 94.4318 -16.7022 -5.3618 -82.2607 164.835 PRESSAVG: 3063400 -41.7577 1.61973 -2.00491 1.61976 24.9633 4.36597 -2.00491 4.36614 27.6092 GPRESSAVG: 3063400 -41.1784 1.65004 -2.14621 1.79418 25.208 5.15833 -2.69595 5.1854 27.5598 TIMING: 3063400 CPU: 8878.14, 0.00292781/step Wall: 8878.14, 0.00292781/step, 1.575 hours remaining, 210.523438 MB of memory in use. ENERGY: 3063400 761.7216 2068.3259 1961.9846 116.8980 -205854.3925 17742.0849 0.0000 0.0000 34330.8320 -148872.5456 299.8197 -183203.3776 -148776.3968 299.4793 111.0545 141.5901 557471.0624 3.6049 3.8631 PRESSURE: 3063600 61.4217 71.9002 53.9493 71.9004 57.5308 53.9441 53.9474 53.9452 -3.94507 GPRESSURE: 3063600 117.096 71.0334 46.0095 71.7108 101.272 11.2398 -13.9166 88.6569 15.017 PRESSAVG: 3063600 -56.9245 26.0843 -12.5205 26.0843 -4.4253 90.6584 -12.5204 90.6584 55.2061 GPRESSAVG: 3063600 -56.6614 25.1026 -12.188 28.3897 -4.18187 90.3974 -13.2007 91.0843 54.9956 TIMING: 3063600 CPU: 8878.73, 0.002918/step Wall: 8878.73, 0.002918/step, 1.56956 hours remaining, 210.523438 MB of memory in use. ENERGY: 3063600 759.8534 2057.1383 1960.4007 116.1986 -206033.0795 17761.9110 0.0000 0.0000 34443.0666 -148934.5109 300.7999 -183377.5776 -148840.8729 299.7377 38.3358 77.7950 556952.9358 -2.0479 -1.9492 PRESSURE: 3063800 10.6255 -113.422 87.8493 -113.423 -64.7059 144.305 87.8487 144.303 11.7291 GPRESSURE: 3063800 80.3449 -152.807 72.2334 -139.917 -25.9664 147.622 45.0094 144.308 8.80643 PRESSAVG: 3063800 -8.85054 25.5751 39.2428 25.5751 -28.0768 11.8179 39.2428 11.8177 22.1318 GPRESSAVG: 3063800 -9.06793 23.3619 40.4715 24.7799 -29.1213 11.6034 41.0658 9.80957 23.6216 TIMING: 3063800 CPU: 8879.31, 0.00292163/step Wall: 8879.31, 0.00292163/step, 1.57135 hours remaining, 210.523438 MB of memory in use. ENERGY: 3063800 728.7946 2138.3775 1938.4283 111.9366 -205833.6908 17677.0391 0.0000 0.0000 34387.1971 -148851.9177 300.3119 -183239.1148 -148758.7621 300.4991 -14.1171 21.0616 557992.5585 -4.9319 -4.8559 PRESSURE: 3064000 240.375 195.114 -23.528 195.114 -73.6194 35.365 -23.5281 35.3654 140.252 GPRESSURE: 3064000 268.424 230.734 -4.54317 133.46 1.37939 74.9116 -54.8159 -39.7154 123.572 PRESSAVG: 3064000 -10.3969 36.3604 54.0641 36.3605 -12.7958 20.2136 54.064 20.2137 12.1555 GPRESSAVG: 3064000 -10.007 38.9713 53.4393 34.476 -12.322 20.5705 53.0086 20.7804 11.3512 TIMING: 3064000 CPU: 8879.89, 0.00291852/step Wall: 8879.89, 0.00291852/step, 1.56952 hours remaining, 210.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3064000 733.4341 2078.7469 1940.7623 110.5022 -206277.8717 17911.4788 0.0000 0.0000 34500.6486 -149002.2989 301.3027 -183502.9475 -148907.8525 300.2916 102.3358 131.1251 557469.4343 -3.6791 -3.6593 PRESSURE: 3064200 152.962 -281.547 -24.5437 -281.549 242.351 299.322 -24.5433 299.322 -264.795 GPRESSURE: 3064200 157.889 -354.386 -5.28608 -283.504 267.235 206.924 -46.0079 386.837 -188.205 PRESSAVG: 3064200 12.1222 -9.5472 60.8407 -9.54718 18.5448 -16.3809 60.8407 -16.3809 -4.31051 GPRESSAVG: 3064200 11.0923 -10.7031 61.7704 -7.5804 19.2029 -17.5256 59.9046 -15.7189 -4.36946 TIMING: 3064200 CPU: 8880.48, 0.00291007/step Wall: 8880.48, 0.00291007/step, 1.56481 hours remaining, 210.523438 MB of memory in use. ENERGY: 3064200 754.4554 2071.4397 1947.9263 109.7419 -206107.7496 17949.9972 0.0000 0.0000 34283.0165 -148991.1726 299.4021 -183274.1891 -148896.1840 300.2376 43.5059 78.9729 558439.9480 8.7855 8.6419 LDB: ============= START OF LOAD BALANCING ============== 8883.86 LDB: ============== END OF LOAD BALANCING =============== 8883.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8883.86 LDB: ============= START OF LOAD BALANCING ============== 8884.15 LDB: Largest compute 4800 load 0.023642 is 20.0% of average load 0.117947 LDB: Average compute 0.001725 is 1.5% of average load 0.117947 LDB: TIME 8884.16 LOAD: AVG 0.117947 MAX 0.179581 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.781 MB LDB: TIME 8884.16 LOAD: AVG 0.117947 MAX 0.179581 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.781 MB LDB: TIME 8884.16 LOAD: AVG 0.117947 MAX 0.179581 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.781 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8884.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8884.16 PRESSURE: 3064400 16.5388 12.6653 46.3412 12.6641 68.4897 87.2605 46.34 87.2611 -83.101 GPRESSURE: 3064400 -1.0317 -73.4701 -18.4043 61.067 100.401 8.3324 64.0485 109.504 -0.291724 PRESSAVG: 3064400 -62.9679 -37.0514 -0.614327 -37.0514 -29.5767 5.92598 -0.614358 5.92598 18.4911 GPRESSAVG: 3064400 -61.7011 -37.0165 -2.22073 -37.5752 -30.9951 6.85125 -0.573755 5.65948 17.7806 TIMING: 3064400 CPU: 8881.07, 0.00295512/step Wall: 8881.07, 0.00295512/step, 1.58887 hours remaining, 208.238281 MB of memory in use. ENERGY: 3064400 706.5383 2116.3896 1959.3218 109.9729 -206442.1192 17949.7250 0.0000 0.0000 34449.0840 -149151.0877 300.8524 -183600.1717 -149055.6049 300.0437 0.6425 33.0258 558607.5427 -24.6845 -24.9719 PRESSURE: 3064600 -74.0053 -85.018 73.1336 -85.0187 20.6372 -38.3937 73.1334 -38.3937 20.3521 GPRESSURE: 3064600 -100.17 -64.0601 -7.67698 -114.971 81.2768 -42.8685 180.375 -16.6401 76.6692 PRESSAVG: 3064600 23.0148 -39.4716 -8.11614 -39.4716 -22.97 -12.3382 -8.1161 -12.3382 18.9796 GPRESSAVG: 3064600 21.2607 -41.4405 -8.46276 -37.8565 -21.2662 -12.119 -6.96087 -12.8974 18.7318 TIMING: 3064600 CPU: 8881.65, 0.00291633/step Wall: 8881.65, 0.00291633/step, 1.56785 hours remaining, 208.238281 MB of memory in use. ENERGY: 3064600 769.1104 2120.1747 1959.5360 97.9246 -206194.5181 17772.8375 0.0000 0.0000 34253.1369 -149221.7980 299.1412 -183474.9349 -149127.7311 300.1466 -11.0053 19.2585 557381.0851 6.3415 6.2421 PRESSURE: 3064800 -74.8424 87.9113 69.7795 87.9109 -168.486 79.4781 69.7802 79.4787 10.5457 GPRESSURE: 3064800 -8.4974 21.945 -7.02251 114.535 -105.937 119.643 117.061 -55.0257 -17.8616 PRESSAVG: 3064800 23.6843 -41.853 -30.6171 -41.8529 -51.2229 -27.9679 -30.617 -27.9678 -4.62667 GPRESSAVG: 3064800 24.0398 -40.7394 -28.6543 -44.382 -51.5346 -28.0326 -31.4052 -27.4754 -4.80477 TIMING: 3064800 CPU: 8882.23, 0.00290152/step Wall: 8882.23, 0.00290152/step, 1.55973 hours remaining, 208.238281 MB of memory in use. ENERGY: 3064800 754.3479 2044.5647 1962.3883 114.5871 -206203.9575 17694.4886 0.0000 0.0000 34301.9271 -149331.6539 299.5673 -183633.5810 -149228.6285 298.8041 -77.5942 -44.0987 556577.4098 -10.7218 -10.7665 PRESSURE: 3065000 -141.724 -49.0886 56.649 -49.0888 -148.163 -187.934 56.6485 -187.933 -314.144 GPRESSURE: 3065000 -54.5894 -30.746 203.326 -45.2038 -135.679 -104.487 72.3377 -221.622 -321.645 PRESSAVG: 3065000 15.9528 26.9266 -5.74194 26.9266 -60.7554 -6.23455 -5.74195 -6.23459 35.1034 GPRESSAVG: 3065000 16.3074 27.1277 -4.47137 26.1675 -61.652 -6.99865 -5.97172 -7.37205 35.3078 TIMING: 3065000 CPU: 8882.82, 0.00292886/step Wall: 8882.82, 0.00292886/step, 1.57426 hours remaining, 208.238281 MB of memory in use. ENERGY: 3065000 775.6021 2060.3245 1941.6077 112.8739 -205870.4534 17524.8279 0.0000 0.0000 34193.6167 -149261.6007 298.6214 -183455.2174 -149164.3971 298.9345 -201.3436 -170.6378 557832.6968 -3.2331 -3.3456 PRESSURE: 3065200 149.831 -237.267 29.159 -237.265 125.512 -12.3294 29.1598 -12.3307 -107.936 GPRESSURE: 3065200 216.706 -324.126 75.8672 -194.979 120.036 -8.74253 12.1705 -23.4536 -63.0804 PRESSAVG: 3065200 62.3608 -12.8806 -24.2706 -12.8806 -36.3177 -36.3376 -24.2706 -36.3376 -4.77341 GPRESSAVG: 3065200 61.0269 -14.5235 -24.034 -10.123 -35.0676 -35.094 -21.749 -35.27 -4.4273 TIMING: 3065200 CPU: 8883.4, 0.00291779/step Wall: 8883.4, 0.00291779/step, 1.56815 hours remaining, 208.238281 MB of memory in use. ENERGY: 3065200 732.7631 2049.7605 1960.2678 123.7933 -206452.3149 17924.8622 0.0000 0.0000 34179.8531 -149481.0149 298.5012 -183660.8679 -149383.5073 298.8394 55.8024 91.2205 555809.0217 7.0899 7.1773 PRESSURE: 3065400 -72.1159 122.783 -119.24 122.784 320.732 35.0766 -119.241 35.0752 -84.1128 GPRESSURE: 3065400 -35.3131 80.4606 -98.2093 106.795 357.97 21.4215 -104.569 95.8496 -53.6462 PRESSAVG: 3065400 71.4805 -3.20077 -11.8678 -3.20082 -43.2913 63.7205 -11.8679 63.7204 -16.392 GPRESSAVG: 3065400 72.1126 0.484848 -13.5243 -7.35931 -44.6383 62.0724 -12.0071 66.078 -15.3756 TIMING: 3065400 CPU: 8883.98, 0.00291909/step Wall: 8883.98, 0.00291909/step, 1.56869 hours remaining, 208.238281 MB of memory in use. ENERGY: 3065400 753.1469 2085.8950 1956.8899 116.7216 -206557.1141 17970.4018 0.0000 0.0000 34179.0203 -149495.0385 298.4939 -183674.0588 -149398.7579 298.7266 54.8343 89.6703 556037.4240 3.9324 4.0329 PRESSURE: 3065600 30.2666 144.322 77.4739 144.322 52.0364 -129.802 77.4761 -129.802 107.582 GPRESSURE: 3065600 -0.253888 152.805 -26.9877 90.7284 119.672 -148.526 12.1976 -122.082 155.931 PRESSAVG: 3065600 -0.279607 -38.4789 -4.61814 -38.4788 18.2717 -7.52837 -4.61812 -7.5283 -0.593619 GPRESSAVG: 3065600 0.52085 -40.293 -4.77797 -37.8562 18.3586 -6.44387 -5.52476 -9.75754 -1.41713 TIMING: 3065600 CPU: 8884.56, 0.00290261/step Wall: 8884.56, 0.00290261/step, 1.55967 hours remaining, 208.238281 MB of memory in use. ENERGY: 3065600 739.5455 2115.9462 1943.0488 115.9170 -206479.6374 17993.3582 0.0000 0.0000 34104.1589 -149467.6628 297.8401 -183571.8217 -149376.0717 298.7764 63.2950 91.7831 557561.1430 5.7995 5.8208 PRESSURE: 3065800 -77.0095 54.0748 -11.0863 54.0748 -135.798 46.4446 -11.0863 46.4446 189.888 GPRESSURE: 3065800 -4.24004 -56.0913 65.1853 177 -79.8858 86.4592 -75.7948 38.6452 170.357 PRESSAVG: 3065800 -21.6317 -2.88699 -10.3424 -2.88697 14.1827 23.7272 -10.3424 23.7273 -5.80102 GPRESSAVG: 3065800 -21.3768 -2.73638 -12.1787 -2.06035 14.3951 23.3805 -11.1644 23.4713 -6.12573 TIMING: 3065800 CPU: 8885.14, 0.00290034/step Wall: 8885.14, 0.00290034/step, 1.55829 hours remaining, 208.238281 MB of memory in use. ENERGY: 3065800 735.5740 2055.2971 1939.7525 109.4011 -206036.1735 17819.3288 0.0000 0.0000 34030.1733 -149346.6467 297.1940 -183376.8201 -149253.6439 298.6570 -7.6397 28.7438 557499.3457 -4.4167 -4.3692 PRESSURE: 3066000 -11.5753 -101.54 34.5442 -101.538 -49.5118 -62.6323 34.5433 -62.6327 -126.796 GPRESSURE: 3066000 14.3023 -65.3133 121.625 -92.2098 -8.34929 25.2872 -77.8655 -13.1289 -106.222 PRESSAVG: 3066000 -4.48419 0.88048 17.9938 0.880423 21.5284 25.5896 17.9939 25.5895 24.8895 GPRESSAVG: 3066000 -3.78607 0.602372 18.6555 2.72885 21.951 26.7685 18.4469 25.8382 23.813 TIMING: 3066000 CPU: 8885.72, 0.0028764/step Wall: 8885.72, 0.0028764/step, 1.54526 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3066000 764.3669 2115.7911 1955.9837 116.6994 -206337.2090 17657.0195 0.0000 0.0000 34298.1982 -149429.1502 299.5347 -183727.3484 -149333.1101 298.2052 -62.6277 -33.4229 556448.3543 13.9779 13.9926 PRESSURE: 3066200 -107.647 38.2642 126.624 38.2643 158.266 -267.943 126.625 -267.943 -245.168 GPRESSURE: 3066200 -73.7581 64.4697 86.7673 42.3651 167.536 -173.939 45.2199 -240.67 -189.921 PRESSAVG: 3066200 -24.6035 -25.5918 102.924 -25.5916 -57.267 4.7102 102.924 4.71016 30.5747 GPRESSAVG: 3066200 -26.0121 -25.0638 104.32 -25.3299 -58.242 4.88569 103.332 3.2136 32.8744 TIMING: 3066200 CPU: 8886.3, 0.00288124/step Wall: 8886.3, 0.00288124/step, 1.5477 hours remaining, 208.238281 MB of memory in use. ENERGY: 3066200 749.8111 2054.8067 1986.0605 127.6725 -206322.7851 17871.9687 0.0000 0.0000 34065.7235 -149466.7421 297.5044 -183532.4656 -149375.1965 298.9794 -64.8496 -32.0476 557556.6375 -17.0986 -17.1266 PRESSURE: 3066400 -53.1115 -67.7558 -42.1591 -67.7566 71.9251 -26.9516 -42.1588 -26.9511 -73.6471 GPRESSURE: 3066400 -14.1215 -145.442 -86.8074 -122.463 67.0926 -42.8908 -8.95028 -95.746 -7.71971 PRESSAVG: 3066400 12.1534 -34.1355 28.2305 -34.1355 -7.26695 1.40744 28.2305 1.40739 10.9514 GPRESSAVG: 3066400 12.2324 -34.2087 28.5544 -34.7094 -6.99218 -1.17319 26.7894 4.49069 10.471 TIMING: 3066400 CPU: 8886.87, 0.00288678/step Wall: 8886.87, 0.00288678/step, 1.55052 hours remaining, 208.289062 MB of memory in use. ENERGY: 3066400 721.5822 2086.6966 1936.7522 106.4757 -206330.8266 17863.1604 0.0000 0.0000 34091.6700 -149524.4894 297.7310 -183616.1594 -149431.1138 297.7904 -18.2778 15.0838 557765.8485 5.2793 5.2371 PRESSURE: 3066600 0.448704 58.6846 -39.3075 58.6864 20.0877 -42.2596 -39.3077 -42.2585 32.7793 GPRESSURE: 3066600 42.2383 0.332381 -50.8283 73.136 92.1402 -132.256 3.62093 -49.8174 20.0645 PRESSAVG: 3066600 109.975 -29.1209 -19.4637 -29.1209 -97.6971 -16.6881 -19.4637 -16.6882 4.75758 GPRESSAVG: 3066600 110.705 -27.164 -20.4607 -30.8167 -97.7393 -15.988 -18.3652 -18.83 3.69101 TIMING: 3066600 CPU: 8887.45, 0.00289804/step Wall: 8887.45, 0.00289804/step, 1.55641 hours remaining, 208.289062 MB of memory in use. ENERGY: 3066600 745.5263 2129.5475 1946.1349 134.3106 -206469.6130 17979.2425 0.0000 0.0000 34125.0307 -149409.8204 298.0224 -183534.8511 -149318.8127 298.7346 17.7719 51.4810 558385.1123 5.6783 5.5522 PRESSURE: 3066800 217.108 16.4623 -3.78205 16.4623 265.057 -175.367 -3.78189 -175.366 -74.6284 GPRESSURE: 3066800 259.028 -41.1104 45.261 6.64496 245.175 -115.794 -62.3715 -171.112 -1.0969 PRESSAVG: 3066800 26.4882 22.1708 52.0633 22.1708 20.4204 -41.8292 52.0634 -41.8292 -60.0745 GPRESSAVG: 3066800 27.5011 19.3742 52.4891 22.2862 19.3942 -40.5277 50.638 -40.8383 -60.0444 TIMING: 3066800 CPU: 8888.03, 0.00287696/step Wall: 8888.03, 0.00287696/step, 1.54493 hours remaining, 208.289062 MB of memory in use. ENERGY: 3066800 756.1127 2047.0063 1957.2986 120.4814 -206538.3909 18110.2309 0.0000 0.0000 34144.8173 -149402.4436 298.1952 -183547.2609 -149307.3716 298.3321 135.8455 167.7020 557012.2092 -4.3886 -4.3830 PRESSURE: 3067000 -259.798 84.5988 -60.8664 84.5988 -374.883 -27.2607 -60.8676 -27.2611 -51.4734 GPRESSURE: 3067000 -213.468 111.97 -4.02369 149.328 -377.231 -73.7611 -85.5373 -9.61537 -1.13217 PRESSAVG: 3067000 60.1793 8.85553 36.2365 8.85555 1.91151 7.11442 36.2364 7.11442 -57.7524 GPRESSAVG: 3067000 58.6024 9.71032 36.5942 10.1589 2.55942 6.02016 38.5249 6.09291 -56.8405 TIMING: 3067000 CPU: 8888.6, 0.00288236/step Wall: 8888.6, 0.00288236/step, 1.54766 hours remaining, 208.289062 MB of memory in use. ENERGY: 3067000 748.3354 2062.4330 1970.8122 104.0169 -206148.1866 17650.3953 0.0000 0.0000 34200.5384 -149411.6554 298.6818 -183612.1938 -149321.2569 298.7241 -228.7182 -197.2770 558542.8370 1.4461 1.4404 PRESSURE: 3067200 -214.381 9.20534 -125.069 9.20544 -231.244 -21.2302 -125.069 -21.2308 11.2877 GPRESSURE: 3067200 -171.123 -3.26951 -67.8725 -44.7028 -240.659 -55.2053 -139.312 -23.0592 85.6077 PRESSAVG: 3067200 -7.42196 29.8338 -38.1803 29.8338 -8.75621 -29.38 -38.1802 -29.3801 19.7452 GPRESSAVG: 3067200 -6.73696 30.7062 -37.7063 28.2745 -8.09358 -30.789 -38.8582 -27.639 18.5162 TIMING: 3067200 CPU: 8889.19, 0.00290872/step Wall: 8889.19, 0.00290872/step, 1.56166 hours remaining, 208.289062 MB of memory in use. ENERGY: 3067200 733.9290 2066.6446 1959.1430 109.7431 -206024.8007 17482.0579 0.0000 0.0000 34167.8277 -149505.4553 298.3961 -183673.2830 -149405.5017 298.8145 -144.7792 -108.7246 558681.0491 1.1890 1.2286 PRESSURE: 3067400 -240.871 -31.1838 -149.718 -31.1847 -39.754 59.3291 -149.717 59.3288 -63.6052 GPRESSURE: 3067400 -191.598 -8.38505 -107.718 10.2174 41.7566 43.5234 -157.765 32.6109 -91.587 PRESSAVG: 3067400 -59.6814 29.3948 -18.8495 29.3948 12.2115 22.2074 -18.8494 22.2074 16.594 GPRESSAVG: 3067400 -58.78 30.34 -17.6263 29.3223 12.6774 23.7264 -18.6099 20.7761 15.6603 TIMING: 3067400 CPU: 8889.76, 0.00289235/step Wall: 8889.76, 0.00289235/step, 1.55271 hours remaining, 208.289062 MB of memory in use. ENERGY: 3067400 769.2150 2040.1353 1946.8808 119.0946 -205904.9411 17591.1542 0.0000 0.0000 34048.8574 -149389.6038 297.3571 -183438.4612 -149299.7773 298.6401 -114.7434 -80.4760 557087.8085 -10.2919 -10.1474 PRESSURE: 3067600 -454.112 50.4689 52.5309 50.4696 -251.667 58.3274 52.5322 58.3275 -211.604 GPRESSURE: 3067600 -388.375 3.89821 -81.0473 52.2435 -193.793 41.9691 82.4284 96.1659 -238.73 PRESSAVG: 3067600 76.311 51.77 -16.6436 51.7699 37.0103 -12.0377 -16.6435 -12.0377 -70.4602 GPRESSAVG: 3067600 74.9734 48.5443 -18.2125 52.3019 36.8023 -13.9734 -17.8113 -11.2484 -69.4859 TIMING: 3067600 CPU: 8890.34, 0.00289711/step Wall: 8890.34, 0.00289711/step, 1.55511 hours remaining, 208.289062 MB of memory in use. ENERGY: 3067600 750.3415 2081.4638 1958.6806 117.0141 -205784.7086 17346.4939 0.0000 0.0000 34175.9962 -149354.7185 298.4675 -183530.7147 -149255.7510 299.4030 -305.7944 -273.6327 558954.0792 14.2871 14.0966 PRESSURE: 3067800 -71.1131 172.758 -166.619 172.759 155.291 -46.3204 -166.619 -46.3212 344.202 GPRESSURE: 3067800 -19.3359 285.447 -196.101 151.069 181.841 -11.2715 -132.033 -80.3073 368.559 PRESSAVG: 3067800 -18.9547 1.75944 -38.9545 1.75942 24.8859 -40.0331 -38.9545 -40.0332 -27.7483 GPRESSAVG: 3067800 -19.7102 3.49568 -40.223 2.40088 25.211 -38.1851 -40.4092 -40.1974 -26.9313 TIMING: 3067800 CPU: 8890.92, 0.00290036/step Wall: 8890.92, 0.00290036/step, 1.55669 hours remaining, 208.289062 MB of memory in use. ENERGY: 3067800 769.1732 2050.5231 1956.9777 103.5852 -206663.6018 18008.3232 0.0000 0.0000 34325.3813 -149449.6381 299.7721 -183775.0194 -149351.0231 298.7046 142.7932 177.0212 555782.1207 -7.2724 -7.1435 PRESSURE: 3068000 -102.842 5.45694 -60.724 5.45689 -209.853 81.7745 -60.7238 81.7748 -299.137 GPRESSURE: 3068000 -125.885 -45.7503 -73.4864 93.6372 -117.454 125.916 -142.862 81.0532 -262.878 PRESSAVG: 3068000 -20.4721 -50.3231 -67.0566 -50.323 19.1073 21.8704 -67.0566 21.8704 12.563 GPRESSAVG: 3068000 -19.9202 -49.8898 -65.2987 -51.1194 18.4974 22.8049 -64.9745 23.456 12.8467 TIMING: 3068000 CPU: 8891.5, 0.0028963/step Wall: 8891.5, 0.0028963/step, 1.55435 hours remaining, 208.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3068000 777.7347 2110.2499 1948.9758 118.8250 -206295.0488 17720.7443 0.0000 0.0000 34138.8933 -149479.6257 298.1434 -183618.5190 -149385.1163 298.3702 -203.9441 -168.7388 557061.0402 3.7327 3.8080 PRESSURE: 3068200 -49.6384 -75.162 143.764 -75.1625 -406.971 115.121 143.765 115.12 56.5859 GPRESSURE: 3068200 -49.3931 -92.0277 102.417 -29.3624 -324.825 71.5888 96.0672 162.307 62.2485 PRESSAVG: 3068200 -31.0142 1.59062 31.7633 1.59056 28.6115 37.4656 31.7633 37.4656 -16.6852 GPRESSAVG: 3068200 -29.8618 1.09015 28.9737 0.391666 27.9907 35.1585 33.3016 36.389 -16.8248 TIMING: 3068200 CPU: 8892.08, 0.00289417/step Wall: 8892.08, 0.00289417/step, 1.55305 hours remaining, 208.289062 MB of memory in use. ENERGY: 3068200 703.8897 2022.4282 1972.0933 112.1265 -206425.3779 17676.2683 0.0000 0.0000 34247.5127 -149691.0593 299.0920 -183938.5720 -149587.3764 298.1915 -133.3413 -103.9899 557194.0358 -6.3626 -6.2320 LDB: ============= START OF LOAD BALANCING ============== 8895.47 LDB: ============== END OF LOAD BALANCING =============== 8895.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8895.47 LDB: ============= START OF LOAD BALANCING ============== 8895.76 LDB: Largest compute 4801 load 0.024408 is 20.7% of average load 0.117979 LDB: Average compute 0.001734 is 1.5% of average load 0.117979 LDB: TIME 8895.76 LOAD: AVG 0.117979 MAX 0.18099 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.445 MB LDB: TIME 8895.76 LOAD: AVG 0.117979 MAX 0.18099 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.445 MB LDB: TIME 8895.76 LOAD: AVG 0.117979 MAX 0.18099 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.445 MB LDB: ============== END OF LOAD BALANCING =============== 8895.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8895.77 PRESSURE: 3068400 85.0019 124.908 95.8556 124.907 86.8462 40.2064 95.856 40.2074 337.684 GPRESSURE: 3068400 56.5894 157.652 18.5027 72.1983 186.279 49.6135 109.145 94.9307 356.939 PRESSAVG: 3068400 -40.6511 31.4666 4.84647 31.4666 43.8963 0.133078 4.84638 0.133073 0.327308 GPRESSAVG: 3068400 -41.8705 29.9903 8.35589 34.3633 44.4504 1.48181 0.994398 -0.0188357 0.800288 TIMING: 3068400 CPU: 8892.67, 0.00295796/step Wall: 8892.67, 0.00295796/step, 1.58711 hours remaining, 208.640625 MB of memory in use. ENERGY: 3068400 736.3533 2105.8280 1974.1895 115.8380 -206741.4038 18133.5466 0.0000 0.0000 34253.0359 -149422.6125 299.1403 -183675.6484 -149327.4348 298.4977 169.8439 199.9357 555252.3452 1.1908 1.1267 PRESSURE: 3068600 22.7118 -90.4136 125.144 -90.4135 -27.5458 41.3238 125.146 41.3234 -168.447 GPRESSURE: 3068600 55.9377 -27.268 88.2682 -144.479 -15.5034 35.2792 94.5014 -22.8447 -119.728 PRESSAVG: 3068600 -48.4506 -3.25933 7.91698 -3.25938 65.1155 23.3755 7.91691 23.3755 0.830675 GPRESSAVG: 3068600 -48.0994 -1.55364 5.45519 -6.97904 65.8005 22.132 10.7007 25.4436 0.294396 TIMING: 3068600 CPU: 8893.25, 0.0029061/step Wall: 8893.25, 0.0029061/step, 1.55912 hours remaining, 208.750000 MB of memory in use. ENERGY: 3068600 749.4274 2094.3905 1961.8833 120.1131 -206471.4565 17790.3440 0.0000 0.0000 34194.5390 -149560.7592 298.6294 -183755.2982 -149468.1605 298.0909 -57.7602 -26.4312 555465.2904 5.8318 5.9985 PRESSURE: 3068800 35.935 -128.889 -26.0767 -128.888 -52.1672 -108.47 -26.0777 -108.471 114.152 GPRESSURE: 3068800 81.5161 -68.8534 -62.5665 -159.237 11.0701 -195.695 25.5363 -33.8806 101.992 PRESSAVG: 3068800 -40.7874 -70.8674 -18.3616 -70.8675 23.7858 -7.09952 -18.3616 -7.09951 -26.7241 GPRESSAVG: 3068800 -40.4594 -71.5073 -16.0185 -67.0851 23.7965 -8.22182 -18.5921 -9.1728 -27.5934 TIMING: 3068800 CPU: 8893.83, 0.00286657/step Wall: 8893.83, 0.00286657/step, 1.53776 hours remaining, 208.750000 MB of memory in use. ENERGY: 3068800 731.7585 2114.8558 1933.7524 110.1557 -206432.7958 17849.2973 0.0000 0.0000 34225.2264 -149467.7497 298.8974 -183692.9761 -149378.1192 298.2366 32.6400 64.8593 556409.7499 -14.5752 -14.7521 PRESSURE: 3069000 177.401 -35.2969 -42.9185 -35.297 222.34 -61.2246 -42.9172 -61.2241 -58.9914 GPRESSURE: 3069000 139.372 -42.8448 -53.6714 -76.4968 340.736 4.3967 -59.6634 19.6493 -32.1058 PRESSAVG: 3069000 -63.7365 -26.3067 -24.9654 -26.3068 70.3043 -32.8583 -24.9654 -32.8583 -9.62573 GPRESSAVG: 3069000 -65.2256 -28.2844 -27.0796 -25.7267 70.0261 -30.3218 -24.7749 -33.0531 -8.2213 TIMING: 3069000 CPU: 8894.4, 0.00288072/step Wall: 8894.4, 0.00288072/step, 1.54519 hours remaining, 208.750000 MB of memory in use. ENERGY: 3069000 761.5010 2126.7682 1977.0919 115.3986 -206335.8243 17912.7217 0.0000 0.0000 34186.5324 -149255.8105 298.5595 -183442.3429 -149163.4484 298.4570 113.5834 149.3342 556849.5604 -1.0193 -1.1403 PRESSURE: 3069200 -278.545 -20.1937 154.879 -20.1948 -275.845 16.2106 154.878 16.2095 -239.711 GPRESSURE: 3069200 -254.796 54.1781 144.09 -103.839 -203.313 72.157 73.1612 -67.8483 -245.106 PRESSAVG: 3069200 56.6579 -25.0326 -30.2974 -25.0326 12.8078 32.9756 -30.2974 32.9757 -18.6621 GPRESSAVG: 3069200 57.0492 -23.6781 -29.5789 -24.2977 14.265 33.2362 -30.4992 32.1639 -20.3214 TIMING: 3069200 CPU: 8894.99, 0.00291685/step Wall: 8894.99, 0.00291685/step, 1.5644 hours remaining, 208.750000 MB of memory in use. ENERGY: 3069200 746.7283 2120.4701 1966.9565 125.8283 -205652.8786 17388.2850 0.0000 0.0000 34237.7622 -149066.8481 299.0069 -183304.6103 -148969.6311 299.7949 -264.7004 -234.4048 556567.1306 16.9345 16.9976 PRESSURE: 3069400 -118.255 -87.9759 -54.1512 -87.9757 0.33692 263.396 -54.1513 263.396 -189.554 GPRESSURE: 3069400 -78.3263 -95.4839 -81.3283 -42.8232 23.1002 292.93 32.2776 231.539 -143.337 PRESSAVG: 3069400 30.7098 -43.4372 2.77453 -43.4372 42.9273 66.7893 2.77448 66.7893 -16.1247 GPRESSAVG: 3069400 31.9344 -44.6213 2.41091 -42.5757 40.701 66.5872 4.15323 68.66 -15.0631 TIMING: 3069400 CPU: 8895.57, 0.00289139/step Wall: 8895.57, 0.00289139/step, 1.55059 hours remaining, 208.750000 MB of memory in use. ENERGY: 3069400 755.5163 2125.0310 1983.3349 102.3452 -205801.2074 17484.6028 0.0000 0.0000 34236.7210 -149113.6562 298.9978 -183350.3772 -149016.7586 299.7857 -102.4905 -66.1876 556985.3209 19.1708 19.1908 PRESSURE: 3069600 162.594 73.0818 0.88406 73.0815 257.577 -1.5386 0.883981 -1.53934 61.1099 GPRESSURE: 3069600 200.594 16.5819 -26.5532 126.39 331.615 23.2788 22.717 -59.742 46.1401 PRESSAVG: 3069600 -35.1671 15.3071 -9.69093 15.3072 48.7792 15.9718 -9.69087 15.9718 -12.7244 GPRESSAVG: 3069600 -34.5791 18.0315 -10.0723 12.7624 49.1008 15.2179 -10.0151 15.3707 -13.7858 TIMING: 3069600 CPU: 8896.14, 0.0028883/step Wall: 8896.14, 0.0028883/step, 1.54877 hours remaining, 208.750000 MB of memory in use. ENERGY: 3069600 743.0424 2135.3283 1962.7640 110.8885 -206518.2216 18204.7320 0.0000 0.0000 34158.2161 -149203.2504 298.3122 -183361.4664 -149109.3263 299.0689 160.4270 192.7829 555921.9950 0.2959 0.2453 PRESSURE: 3069800 -487.096 -41.0925 -0.412043 -41.0906 59.8906 119.948 -0.412587 119.949 -30.2892 GPRESSURE: 3069800 -418.782 -41.4463 19.7735 -39.3062 93.1796 48.5262 95.8201 121.615 -31.6321 PRESSAVG: 3069800 -36.4546 -29.0299 -1.41645 -29.0299 47.825 -7.17819 -1.41642 -7.17806 -19.932 GPRESSAVG: 3069800 -36.9146 -28.6786 0.218583 -28.8873 46.9866 -6.90026 -1.45653 -6.91182 -18.997 TIMING: 3069800 CPU: 8896.72, 0.0028795/step Wall: 8896.72, 0.0028795/step, 1.54389 hours remaining, 208.750000 MB of memory in use. ENERGY: 3069800 767.6225 2076.1892 1965.0922 99.8505 -205981.7063 17579.9540 0.0000 0.0000 34241.2067 -149251.7913 299.0370 -183492.9980 -149159.4313 298.6466 -152.4983 -119.0783 556753.9530 -2.8538 -2.9750 PRESSURE: 3070000 -216.155 -87.6075 28.6677 -87.6061 -79.9823 -23.0032 28.6674 -23.004 -321.532 GPRESSURE: 3070000 -194.739 -98.6028 -12.7754 -111.85 -51.668 3.74424 -9.65526 6.4461 -267.947 PRESSAVG: 3070000 35.326 -22.9515 31.2584 -22.9515 -34.14 -24.2011 31.2583 -24.2011 42.4548 GPRESSAVG: 3070000 33.6195 -24.6908 30.3903 -21.5864 -33.2241 -24.9827 31.9453 -24.9029 43.0162 TIMING: 3070000 CPU: 8897.3, 0.00289256/step Wall: 8897.3, 0.00289256/step, 1.55073 hours remaining, 208.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3070000 756.1500 2118.0631 1955.4199 122.0193 -205920.6242 17627.2145 0.0000 0.0000 34170.8238 -149170.9337 298.4223 -183341.7575 -149071.7853 299.1026 -205.8896 -171.4513 559135.0524 14.5469 14.4705 PRESSURE: 3070200 -30.0157 25.1378 -23.7648 25.139 -94.5042 97.2457 -23.7653 97.2457 9.65041 GPRESSURE: 3070200 -14.6872 41.3124 16.7324 -7.67832 -34.621 9.74599 -77.3149 135.418 34.5065 PRESSAVG: 3070200 18.5277 11.8716 -38.0765 11.8716 -22.7902 -0.543201 -38.0766 -0.543044 20.2433 GPRESSAVG: 3070200 19.7398 14.49 -35.9122 9.86118 -22.8766 -0.800092 -40.357 2.32521 19.2552 TIMING: 3070200 CPU: 8897.88, 0.00289696/step Wall: 8897.88, 0.00289696/step, 1.55293 hours remaining, 208.750000 MB of memory in use. ENERGY: 3070200 697.4623 2103.0883 1950.2683 110.7545 -205848.3682 17762.6672 0.0000 0.0000 34081.7091 -149142.4186 297.6440 -183224.1277 -149045.6657 299.2980 -38.2898 -4.9339 559311.4172 5.3269 5.3728 PRESSURE: 3070400 -56.4173 264.791 0.695141 264.791 -85.6038 -126.514 0.694128 -126.515 194.247 GPRESSURE: 3070400 -56.8241 178.484 -119.389 321.778 -60.5582 -162.728 122.061 -30.8382 269.046 PRESSAVG: 3070400 -28.0249 26.9259 -0.749312 26.9259 7.61151 0.593046 -0.749274 0.593097 44.9263 GPRESSAVG: 3070400 -27.7462 26.1229 -2.854 26.9455 6.98519 -0.650756 1.37039 0.659447 44.5337 TIMING: 3070400 CPU: 8898.45, 0.00288682/step Wall: 8898.45, 0.00288682/step, 1.54733 hours remaining, 208.750000 MB of memory in use. ENERGY: 3070400 755.7887 2132.2996 1956.4043 104.8666 -206081.5447 17805.1076 0.0000 0.0000 34183.7601 -149143.3178 298.5353 -183327.0779 -149048.5687 298.6725 17.4085 50.5545 558222.1641 8.1710 7.9243 PRESSURE: 3070600 83.28 -34.4702 173.6 -34.4697 35.7128 62.1026 173.6 62.1019 -270.047 GPRESSURE: 3070600 66.4762 -8.43818 130.986 33.7319 110.926 104.387 101.702 -24.459 -221.045 PRESSAVG: 3070600 -83.4325 81.2018 29.7205 81.2019 18.6546 28.1132 29.7206 28.1132 50.6943 GPRESSAVG: 3070600 -84.4705 79.4444 29.1331 82.3809 18.7082 28.9667 29.3625 27.6749 51.4845 TIMING: 3070600 CPU: 8899.03, 0.00288022/step Wall: 8899.03, 0.00288022/step, 1.54364 hours remaining, 208.750000 MB of memory in use. ENERGY: 3070600 748.7636 2070.8924 1957.1825 117.7306 -205929.2177 17641.1386 0.0000 0.0000 34247.2251 -149146.2850 299.0895 -183393.5101 -149045.5991 298.6648 -50.3513 -14.5475 557508.1291 -4.6945 -4.7593 PRESSURE: 3070800 109.284 -67.7774 4.66431 -67.775 27.6317 -160.487 4.66385 -160.486 -62.5292 GPRESSURE: 3070800 115.558 -80.4984 21.6586 -107.737 43.482 -198.07 22.3147 -134.843 11.8748 PRESSAVG: 3070800 -3.12096 -12.4379 40.0675 -12.438 6.15362 -32.121 40.0675 -32.1211 -9.49717 GPRESSAVG: 3070800 -3.26957 -11.1823 44.022 -13.3285 7.81065 -32.7269 39.3633 -31.1886 -11.0264 TIMING: 3070800 CPU: 8899.61, 0.00288489/step Wall: 8899.61, 0.00288489/step, 1.54598 hours remaining, 208.750000 MB of memory in use. ENERGY: 3070800 776.7195 2064.4290 1946.3110 123.8109 -206432.1116 17959.0875 0.0000 0.0000 34434.9631 -149126.7904 300.7291 -183561.7536 -149025.3885 298.8900 24.7956 56.9718 557125.6014 -2.1548 -2.1618 PRESSURE: 3071000 -71.3837 -81.1496 161.641 -81.1505 -173.839 201.399 161.641 201.4 295.065 GPRESSURE: 3071000 -52.3906 13.191 113.371 -97.4149 -111.249 153.263 217.855 211.043 308.583 PRESSAVG: 3071000 9.63503 19.9241 6.44493 19.9241 -22.3766 -0.644855 6.44492 -0.644913 30.2644 GPRESSAVG: 3071000 9.56864 20.8775 5.79005 17.828 -22.3971 1.34957 4.81848 -4.4304 30.879 TIMING: 3071000 CPU: 8900.18, 0.00287069/step Wall: 8900.18, 0.00287069/step, 1.53821 hours remaining, 208.750000 MB of memory in use. ENERGY: 3071000 757.2938 2095.7102 1967.5108 101.0781 -206218.5782 17838.7323 0.0000 0.0000 34204.3534 -149253.8996 298.7151 -183458.2530 -149151.5424 299.3150 16.6139 48.3146 556779.2234 5.8410 6.0168 PRESSURE: 3071200 -82.3617 49.8962 -129.832 49.8964 -196.244 28.2789 -129.833 28.281 -109.767 GPRESSURE: 3071200 -39.1519 111.078 -22.0868 71.8885 -150.853 23.1359 -180.62 31.2779 -104.351 PRESSAVG: 3071200 47.1514 -23.2844 59.4354 -23.2843 -26.0095 60.7938 59.4354 60.794 -1.01472 GPRESSAVG: 3071200 47.9587 -23.4381 58.7109 -22.9936 -26.918 58.9936 62.4708 63.8549 -1.43861 TIMING: 3071200 CPU: 8900.76, 0.00290847/step Wall: 8900.76, 0.00290847/step, 1.55829 hours remaining, 208.750000 MB of memory in use. ENERGY: 3071200 762.6505 2068.3372 1940.1354 120.1995 -206444.1617 17794.0160 0.0000 0.0000 34376.6846 -149382.1385 300.2201 -183758.8230 -149283.7737 298.7913 -129.4575 -98.1185 556932.3425 6.7091 6.5340 PRESSURE: 3071400 -18.8495 0.763386 -54.1041 0.763375 -44.4011 -111.006 -54.1037 -111.006 -83.8294 GPRESSURE: 3071400 -8.61442 7.21262 -49.0667 17.8506 23.7106 -206.752 -53.836 87.488 -60.1662 PRESSAVG: 3071400 -41.5201 -27.0429 -9.58204 -27.0429 -21.2125 -14.847 -9.58207 -14.847 69.8364 GPRESSAVG: 3071400 -40.3304 -25.9989 -9.06411 -25.8636 -21.2359 -16.8848 -11.6544 -15.322 68.8807 TIMING: 3071400 CPU: 8901.34, 0.00287308/step Wall: 8901.34, 0.00287308/step, 1.53917 hours remaining, 208.750000 MB of memory in use. ENERGY: 3071400 753.4896 2039.5759 1957.9677 121.8709 -206415.5920 18050.1302 0.0000 0.0000 34256.3831 -149236.1746 299.1695 -183492.5577 -149137.4781 298.8469 -49.0267 -15.0233 557281.5005 2.3680 2.4381 PRESSURE: 3071600 -107.053 74.8201 -61.8908 74.8199 199.053 -79.9719 -61.89 -79.9725 133.156 GPRESSURE: 3071600 -51.0412 58.2003 -66.248 90.4098 182.584 -10.2797 -5.54084 -35.0153 189.221 PRESSAVG: 3071600 -3.29985 -43.0156 1.33115 -43.0156 1.00296 7.17876 1.3311 7.17885 16.6444 GPRESSAVG: 3071600 -4.38848 -45.0133 -1.7336 -41.3211 2.75246 10.2218 4.49382 5.9374 16.2444 TIMING: 3071600 CPU: 8901.91, 0.00287378/step Wall: 8901.91, 0.00287378/step, 1.53939 hours remaining, 208.750000 MB of memory in use. ENERGY: 3071600 709.2700 2100.9685 1955.6648 122.6373 -206284.1769 17919.1573 0.0000 0.0000 34351.8243 -149124.6546 300.0030 -183476.4789 -149028.9822 298.7714 75.0520 106.9210 556613.8457 4.7825 4.8695 PRESSURE: 3071800 68.4024 -154.679 5.80069 -154.678 -15.8095 82.7784 5.80051 82.7775 -333.491 GPRESSURE: 3071800 121.375 -184.932 -21.7973 -109.683 -18.8802 57.0432 28.0168 81.2888 -291.946 PRESSAVG: 3071800 5.34892 -15.9806 -35.0358 -15.9805 -29.8439 14.7871 -35.0359 14.7872 26.9166 GPRESSAVG: 3071800 5.37941 -15.2768 -34.0895 -17.4472 -31.283 17.4125 -39.0296 13.8277 27.8504 TIMING: 3071800 CPU: 8902.49, 0.00288448/step Wall: 8902.49, 0.00288448/step, 1.54496 hours remaining, 208.750000 MB of memory in use. ENERGY: 3071800 782.7786 2034.9950 1961.4691 120.1078 -206425.7494 17807.1658 0.0000 0.0000 34596.8685 -149122.3646 302.1431 -183719.2331 -149019.3585 299.5388 -93.6328 -63.1503 557609.9757 0.8072 0.6489 PRESSURE: 3072000 152.314 17.9439 -146.632 17.9442 116.26 81.0743 -146.632 81.0722 331.717 GPRESSURE: 3072000 153.953 -13.8382 -90.5359 31.1382 103.716 84.7895 -64.6071 101.654 421.926 PRESSAVG: 3072000 39.7173 -4.674 -50.6535 -4.67403 1.99719 35.7514 -50.6535 35.7512 -10.7094 GPRESSAVG: 3072000 40.2767 -3.02168 -48.7962 -4.65407 1.22652 30.7403 -48.2085 40.6619 -10.9629 TIMING: 3072000 CPU: 8903.07, 0.00288773/step Wall: 8903.07, 0.00288773/step, 1.54654 hours remaining, 208.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3072000 721.0401 2091.2663 1954.8581 110.6299 -206346.6180 18068.2721 0.0000 0.0000 34260.6804 -149139.8711 299.2070 -183400.5514 -149033.7445 299.6207 200.0968 226.5316 557548.5049 10.3350 10.1801 PRESSURE: 3072200 8.56571 99.998 -78.4634 99.9973 -10.2534 -146.657 -78.4613 -146.656 -20.8822 GPRESSURE: 3072200 13.1907 47.0573 1.63947 108.932 51.8893 -216.278 -50.2146 -187.717 21.6737 PRESSAVG: 3072200 1.06405 18.3146 -5.65758 18.3145 -5.09255 31.4063 -5.6575 31.4061 16.305 GPRESSAVG: 3072200 0.94264 14.7912 -7.91157 19.9678 -4.95587 32.2679 -6.39465 28.0117 15.9783 TIMING: 3072200 CPU: 8903.64, 0.00286157/step Wall: 8903.64, 0.00286157/step, 1.53237 hours remaining, 208.750000 MB of memory in use. ENERGY: 3072200 731.3332 2067.5552 1963.6350 105.9874 -206153.4044 17776.2790 0.0000 0.0000 34496.9138 -149011.7008 301.2701 -183508.6146 -148910.8512 299.5608 -7.5233 28.9179 558761.1304 4.0922 3.9884 LDB: ============= START OF LOAD BALANCING ============== 8907.02 LDB: ============== END OF LOAD BALANCING =============== 8907.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8907.02 LDB: ============= START OF LOAD BALANCING ============== 8907.31 LDB: Largest compute 4800 load 0.024204 is 20.5% of average load 0.117974 LDB: Average compute 0.001736 is 1.5% of average load 0.117974 LDB: TIME 8907.32 LOAD: AVG 0.117974 MAX 0.179414 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.551 MB LDB: TIME 8907.32 LOAD: AVG 0.117974 MAX 0.179414 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: TIME 8907.32 LOAD: AVG 0.117974 MAX 0.179414 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8907.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8907.32 PRESSURE: 3072400 -199.534 83.2479 87.487 83.2493 -203.695 131.077 87.4878 131.075 -34.0956 GPRESSURE: 3072400 -212.483 31.9314 113.521 134.409 -147.655 91.1535 20.0721 109.226 28.4898 PRESSAVG: 3072400 -78.0081 -15.3038 12.78 -15.3038 -37.2595 0.992779 12.7799 0.992776 120.817 GPRESSAVG: 3072400 -78.9065 -15.0545 13.8752 -15.9022 -36.9915 2.76582 12.5054 2.31526 121.152 TIMING: 3072400 CPU: 8904.23, 0.00294247/step Wall: 8904.23, 0.00294247/step, 1.57553 hours remaining, 209.007812 MB of memory in use. ENERGY: 3072400 735.6618 2092.7362 1961.0633 121.7494 -205743.1468 17638.4780 0.0000 0.0000 34184.5907 -149008.8674 298.5425 -183193.4581 -148909.5997 299.4613 -145.7749 -110.5494 558193.7867 1.8498 1.7513 PRESSURE: 3072600 -200.377 63.6559 8.41872 63.6554 -51.8706 197.472 8.41864 197.471 -217.94 GPRESSURE: 3072600 -192.596 66.5276 50.5926 15.9007 -4.58364 228.48 51.7767 253.003 -182.352 PRESSAVG: 3072600 19.6068 23.3716 62.0597 23.3716 44.4633 14.5728 62.0597 14.5728 -39.9982 GPRESSAVG: 3072600 19.6532 25.7029 61.3496 22.7089 44.5012 15.6363 62.3147 13.6427 -39.8431 TIMING: 3072600 CPU: 8904.81, 0.00291675/step Wall: 8904.81, 0.00291675/step, 1.56159 hours remaining, 209.207031 MB of memory in use. ENERGY: 3072600 710.6852 2084.6866 1945.8733 106.2547 -205865.9585 17672.9975 0.0000 0.0000 34239.8222 -149105.6390 299.0249 -183345.4612 -149007.4558 299.3924 -156.7291 -126.5107 557263.5607 8.0240 8.1038 PRESSURE: 3072800 104.907 35.3498 87.7567 35.3497 -194.206 167.97 87.7549 167.971 11.5765 GPRESSURE: 3072800 89.8308 -16.4057 148.48 62.0846 -165.561 105.288 70.6941 198.266 93.9313 PRESSAVG: 3072800 29.667 -31.5372 -21.7452 -31.537 -18.3007 5.96174 -21.7451 5.96178 -37.2286 GPRESSAVG: 3072800 29.8917 -33.3559 -20.667 -32.0572 -17.7988 5.30242 -22.7147 6.85326 -37.8978 TIMING: 3072800 CPU: 8905.39, 0.00288944/step Wall: 8905.39, 0.00288944/step, 1.54681 hours remaining, 209.207031 MB of memory in use. ENERGY: 3072800 725.5911 2043.5504 1951.2481 106.3572 -205857.9771 17694.4274 0.0000 0.0000 34284.9471 -149051.8559 299.4190 -183336.8030 -148960.8145 298.6960 -25.9076 6.0670 557953.8027 -8.6208 -8.6016 PRESSURE: 3073000 -25.6238 -28.2028 -44.7615 -28.2027 -221.367 4.27262 -44.7623 4.27122 -135.469 GPRESSURE: 3073000 -17.466 -71.9531 -159.086 60.1746 -182.384 38.2233 -35.1351 -34.0789 -75.6408 PRESSAVG: 3073000 -27.5791 -22.7592 -13.1765 -22.7592 25.7725 -11.1741 -13.1765 -11.1741 0.0113663 GPRESSAVG: 3073000 -26.8379 -23.7408 -13.226 -21.4506 25.1652 -10.8044 -12.5679 -8.95122 0.1462 TIMING: 3073000 CPU: 8905.96, 0.00286993/step Wall: 8905.96, 0.00286993/step, 1.53621 hours remaining, 209.207031 MB of memory in use. ENERGY: 3073000 719.7861 2084.1086 1956.5111 108.7536 -205741.7129 17710.9023 0.0000 0.0000 33987.7713 -149173.8799 296.8237 -183161.6512 -149079.0383 298.9119 -127.4868 -91.8302 558956.2853 -0.5984 -0.5088 PRESSURE: 3073200 -175.657 -0.82086 -80.1475 -0.821172 157.929 -66.5498 -80.1482 -66.5497 -43.6146 GPRESSURE: 3073200 -151.364 -20.4776 -86.6736 27.5897 178.235 -157.94 -34.0709 -80.9549 14.7854 PRESSAVG: 3073200 -40.7536 -75.2883 10.3868 -75.2882 -4.44543 -15.0847 10.3869 -15.0849 33.3642 GPRESSAVG: 3073200 -41.6503 -74.9505 9.72651 -76.2271 -4.35272 -15.7396 11.2197 -16.7252 33.8415 TIMING: 3073200 CPU: 8906.54, 0.00287982/step Wall: 8906.54, 0.00287982/step, 1.54135 hours remaining, 209.207031 MB of memory in use. ENERGY: 3073200 712.0208 2103.5955 1980.1886 119.0341 -205280.6395 17526.9953 0.0000 0.0000 34033.4922 -148805.3130 297.2230 -182838.8052 -148707.6318 299.6230 -20.4476 13.8852 559311.1255 -3.9450 -4.0538 PRESSURE: 3073400 -241.155 28.2677 182.232 28.2676 33.4336 59.6993 182.231 59.6991 -229.678 GPRESSURE: 3073400 -219.966 18.5362 77.9192 13.4125 76.3608 28.7515 173.208 77.9877 -193.325 PRESSAVG: 3073400 -53.1407 -10.5151 57.3222 -10.515 1.76683 13.0334 57.3223 13.0334 34.7045 GPRESSAVG: 3073400 -53.3041 -9.86461 60.1107 -10.2422 0.825747 10.7319 55.3631 13.9729 36.0988 TIMING: 3073400 CPU: 8907.12, 0.00288292/step Wall: 8907.12, 0.00288292/step, 1.54284 hours remaining, 209.207031 MB of memory in use. ENERGY: 3073400 736.7218 2115.0276 1977.3392 114.7063 -205572.2864 17453.9849 0.0000 0.0000 34338.5896 -148835.9171 299.8874 -183174.5067 -148733.1302 300.3726 -145.7997 -112.3101 558188.3225 -5.5564 -5.4599 PRESSURE: 3073600 -22.9144 76.3192 31.3373 76.3196 9.8131 22.1688 31.3374 22.1704 -202.41 GPRESSURE: 3073600 -33.3407 102.991 10.4368 66.5133 46.1512 9.288 61.2814 122.323 -133.132 PRESSAVG: 3073600 20.5897 -25.863 28.5759 -25.863 22.01 38.9414 28.5759 38.9413 -24.5877 GPRESSAVG: 3073600 20.7046 -26.9141 24.2006 -25.9298 23.038 42.9611 30.8976 36.246 -25.9189 TIMING: 3073600 CPU: 8907.69, 0.0028915/step Wall: 8907.69, 0.0028915/step, 1.54727 hours remaining, 209.308594 MB of memory in use. ENERGY: 3073600 743.8692 2094.0362 1967.0562 114.5894 -205850.6144 17555.4646 0.0000 0.0000 34466.2942 -148909.3046 301.0027 -183375.5988 -148809.5566 299.8831 -71.8369 -40.1071 557273.7169 6.0040 5.9413 PRESSURE: 3073800 273.849 -152.724 19.0803 -152.724 45.2748 -110.015 19.0799 -110.015 182.23 GPRESSURE: 3073800 319.287 -99.9775 -60.936 -225.972 45.9011 -75.3744 71.3201 -117.082 239.524 PRESSAVG: 3073800 -15.2088 -36.6475 -2.92891 -36.6475 0.770937 6.08666 -2.92901 6.08662 -20.5257 GPRESSAVG: 3073800 -15.31 -36.5113 -0.484009 -34.622 0.912037 6.52157 -4.80923 7.40054 -20.5606 TIMING: 3073800 CPU: 8908.27, 0.0028889/step Wall: 8908.27, 0.0028889/step, 1.54572 hours remaining, 209.308594 MB of memory in use. ENERGY: 3073800 690.8877 2057.0080 2009.6906 102.6604 -206243.6294 17999.6281 0.0000 0.0000 34504.1814 -148879.5732 301.3336 -183383.7546 -148785.1404 300.4208 167.1181 201.5708 556666.7054 -11.6545 -11.6528 PRESSURE: 3074000 -62.4797 16.5982 -67.0481 16.5981 -30.9662 2.81625 -67.0483 2.81528 -56.4253 GPRESSURE: 3074000 -31.1868 -28.6105 -31.4856 80.6172 9.41534 -31.3158 -60.8302 -50.8218 -28.481 PRESSAVG: 3074000 -4.32565 -36.3622 -8.74896 -36.3621 -25.4045 -40.2725 -8.74888 -40.2724 24.2681 GPRESSAVG: 3074000 -2.97719 -36.8672 -9.29172 -38.3379 -25.9081 -43.4992 -6.63213 -38.219 23.6082 TIMING: 3074000 CPU: 8908.85, 0.00287401/step Wall: 8908.85, 0.00287401/step, 1.53759 hours remaining, 209.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3074000 779.8008 2064.4689 1957.7323 99.6602 -206145.1839 17911.5388 0.0000 0.0000 34486.2732 -148845.7098 301.1772 -183331.9830 -148756.3106 299.9953 -49.9570 -16.7508 556790.5166 -1.8207 -1.7590 PRESSURE: 3074200 -173.37 168.234 -43.0256 168.232 -134.903 55.679 -43.0261 55.6788 -191.393 GPRESSURE: 3074200 -194.026 193.217 69.1302 110.57 -81.7051 3.22652 -88.8134 127.371 -132.755 PRESSAVG: 3074200 -107.406 10.6373 -38.5789 10.6373 37.4177 -39.6185 -38.5789 -39.6186 95.0506 GPRESSAVG: 3074200 -108.326 11.6836 -39.7754 10.9128 36.5367 -37.891 -39.3818 -43.15 96.4235 TIMING: 3074200 CPU: 8909.42, 0.00286376/step Wall: 8909.42, 0.00286376/step, 1.53195 hours remaining, 209.308594 MB of memory in use. ENERGY: 3074200 743.5929 2116.1987 1963.3496 110.4495 -205621.4772 17567.7307 0.0000 0.0000 34340.8808 -148779.2750 299.9075 -183120.1558 -148684.7394 300.8207 -166.5553 -136.1621 558890.0223 8.3540 8.2114 PRESSURE: 3074400 -143.679 -15.9714 -73.9893 -15.9715 -68.626 26.0786 -73.9902 26.0779 3.11554 GPRESSURE: 3074400 -99.1978 -91.3336 -145.061 20.7617 -30.4586 35.2161 -8.57615 145.476 28.8282 PRESSAVG: 3074400 -16.5131 -10.6113 12.7223 -10.6113 -56.4975 -14.0207 12.7224 -14.0206 60.9688 GPRESSAVG: 3074400 -16.6338 -9.39876 14.1194 -11.4171 -55.525 -16.2722 14.2151 -8.87489 60.2031 TIMING: 3074400 CPU: 8909.99, 0.00286745/step Wall: 8909.99, 0.00286745/step, 1.53377 hours remaining, 209.308594 MB of memory in use. ENERGY: 3074400 753.8880 2143.1244 1936.8566 102.6716 -206101.0294 17789.7313 0.0000 0.0000 34334.5167 -149040.2408 299.8519 -183374.7575 -148950.1240 300.1408 -69.7300 -33.6094 557599.4011 -4.0140 -3.9853 PRESSURE: 3074600 -69.655 78.2957 112.164 78.2968 -21.5597 -109.753 112.165 -109.752 136.359 GPRESSURE: 3074600 -106.327 80.8225 31.5226 98.4507 38.9484 -155.06 141.274 -91.5278 219.506 PRESSAVG: 3074600 -1.88046 5.01319 -57.8583 5.01309 -68.256 -21.3502 -57.8583 -21.3502 61.7821 GPRESSAVG: 3074600 -2.69693 5.35883 -59.9016 4.92342 -67.252 -18.8084 -58.012 -24.779 61.8697 TIMING: 3074600 CPU: 8910.57, 0.00288064/step Wall: 8910.57, 0.00288064/step, 1.54066 hours remaining, 209.308594 MB of memory in use. ENERGY: 3074600 760.7844 2070.4635 1985.5385 116.9528 -206199.2294 17937.4516 0.0000 0.0000 34423.2384 -148904.8003 300.6267 -183328.0387 -148794.1542 300.2046 15.0480 50.7091 558023.3855 -2.7848 -2.6931 PRESSURE: 3074800 16.7189 -180.21 53.9059 -180.209 -210.273 38.0075 53.9053 38.0087 92.9893 GPRESSURE: 3074800 -0.446824 -123.396 24.8245 -216.6 -173.301 85.1583 -6.74505 98.7926 165.246 PRESSAVG: 3074800 58.7309 -1.06032 7.96786 -1.06032 -81.7311 -33.3549 7.96789 -33.355 42.2828 GPRESSAVG: 3074800 59.6757 -2.32174 10.9054 0.294227 -81.9872 -33.8714 6.68817 -33.2394 41.9621 TIMING: 3074800 CPU: 8911.14, 0.00287077/step Wall: 8911.14, 0.00287077/step, 1.53523 hours remaining, 209.308594 MB of memory in use. ENERGY: 3074800 731.4246 2173.6039 1943.4455 120.6737 -206249.3576 17786.5541 0.0000 0.0000 34437.7403 -149055.9155 300.7534 -183493.6559 -148965.9965 300.4492 -33.5215 -2.8337 557505.5183 6.4275 6.5502 PRESSURE: 3075000 250.743 50.1368 -14.7856 50.1372 122.499 11.5593 -14.785 11.5579 231.582 GPRESSURE: 3075000 312.185 126.032 29.6849 -8.52434 131.709 13.2082 -32.5606 -26.3071 248.44 PRESSAVG: 3075000 17.6191 -34.4151 -37.7061 -34.4151 -80.5286 12.9409 -37.7061 12.9409 127.303 GPRESSAVG: 3075000 17.2871 -33.6713 -39.2482 -34.7455 -82.1778 11.8674 -38.0727 11.8357 128.59 TIMING: 3075000 CPU: 8911.72, 0.00287388/step Wall: 8911.72, 0.00287388/step, 1.53673 hours remaining, 209.308594 MB of memory in use. ENERGY: 3075000 749.6881 2058.8886 1951.9509 108.7669 -206903.1679 18388.4765 0.0000 0.0000 34544.6680 -149100.7290 301.6872 -183645.3970 -148995.0614 300.1949 201.6078 230.7782 556661.6631 21.4646 21.2332 PRESSURE: 3075200 -200.932 -28.964 -14.9424 -28.9631 -232.345 30.5711 -14.9434 30.571 -21.1711 GPRESSURE: 3075200 -189.786 -7.34587 -45.4276 -84.1145 -146.56 -10.0324 16.7266 -5.58626 -22.2973 PRESSAVG: 3075200 -12.1341 -3.47685 -10.4265 -3.47684 -37.0124 30.1085 -10.4265 30.1087 20.9032 GPRESSAVG: 3075200 -10.809 -3.15785 -10.1039 -3.3212 -37.6855 31.8957 -10.1807 31.0239 20.286 TIMING: 3075200 CPU: 8912.29, 0.00287173/step Wall: 8912.29, 0.00287173/step, 1.53542 hours remaining, 209.308594 MB of memory in use. ENERGY: 3075200 743.3892 2091.4796 1936.0982 115.3428 -205875.1589 17766.7528 0.0000 0.0000 34221.2871 -149000.8092 298.8630 -183222.0962 -148904.9871 299.8436 -151.4826 -119.5478 558899.5200 -9.4144 -9.4028 PRESSURE: 3075400 -393.591 27.3789 58.325 27.38 98.6649 48.1663 58.3245 48.1642 26.8683 GPRESSURE: 3075400 -322.51 51.6396 141.082 54.0406 89.9926 9.75063 33.211 81.8034 57.177 PRESSAVG: 3075400 -51.2341 -59.1777 -8.93645 -59.1776 20.9485 4.05551 -8.93644 4.05543 -11.841 GPRESSAVG: 3075400 -52.148 -58.8462 -8.01739 -58.7405 21.7937 2.58818 -11.5052 3.63672 -12.0468 TIMING: 3075400 CPU: 8912.87, 0.00286403/step Wall: 8912.87, 0.00286403/step, 1.53114 hours remaining, 209.308594 MB of memory in use. ENERGY: 3075400 728.4515 2104.3411 1957.8454 113.2021 -205582.5243 17418.3311 0.0000 0.0000 34300.5502 -148959.8029 299.5552 -183260.3531 -148860.6118 300.0315 -89.3527 -58.4469 557740.7975 -14.0422 -14.1337 PRESSURE: 3075600 101.677 -61.9843 134.28 -61.9854 236.302 111.923 134.279 111.925 -52.4163 GPRESSURE: 3075600 82.3746 -101.514 167.864 -50.962 308.6 127.323 126.376 68.5193 0.255543 PRESSAVG: 3075600 -39.0305 -26.6395 -20.1741 -26.6396 31.2721 37.1401 -20.1741 37.1401 8.95479 GPRESSAVG: 3075600 -38.4248 -27.8583 -21.7128 -27.3319 31.1906 37.2786 -16.5731 36.5518 8.88036 TIMING: 3075600 CPU: 8913.44, 0.00286876/step Wall: 8913.44, 0.00286876/step, 1.53351 hours remaining, 209.308594 MB of memory in use. ENERGY: 3075600 772.4752 2142.9501 1943.9137 110.6563 -206018.2643 17949.4808 0.0000 0.0000 34210.9724 -148887.8159 298.7729 -183098.7882 -148794.2076 300.2871 95.1874 130.4101 557913.0245 0.3988 0.5487 PRESSURE: 3075800 -183.097 113.307 23.1753 113.307 13.9624 -26.4384 23.176 -26.4373 -204.362 GPRESSURE: 3075800 -128.978 101.267 -25.0516 128.034 62.1265 -57.1036 59.761 -35.988 -193.54 PRESSAVG: 3075800 19.7049 -14.0212 21.9424 -14.0211 13.4709 35.4017 21.9424 35.4017 -44.9207 GPRESSAVG: 3075800 18.3073 -13.6686 22.9038 -14.1697 13.7095 35.0005 20.5309 35.7034 -44.5603 TIMING: 3075800 CPU: 8914.02, 0.0028967/step Wall: 8914.02, 0.0028967/step, 1.54828 hours remaining, 209.308594 MB of memory in use. ENERGY: 3075800 747.7020 2104.3935 1963.7460 129.6340 -205713.4285 17604.6309 0.0000 0.0000 34138.1856 -149025.1365 298.1373 -183163.3221 -148937.8758 300.6310 -124.4988 -86.7974 558037.1015 -3.9150 -4.1812 PRESSURE: 3076000 146.991 169.133 63.9949 169.132 138.212 -63.0466 63.9954 -63.0472 75.5546 GPRESSURE: 3076000 169.813 137.03 90.8622 125.794 205.484 3.40115 113.297 -46.9204 93.0101 PRESSAVG: 3076000 -59.1357 26.0283 60.598 26.0283 34.7202 -32.6432 60.5979 -32.6433 19.7851 GPRESSAVG: 3076000 -57.859 27.3843 60.0529 26.1738 34.8535 -30.3223 59.0742 -33.1708 18.8149 TIMING: 3076000 CPU: 8914.6, 0.00289462/step Wall: 8914.6, 0.00289462/step, 1.54701 hours remaining, 209.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3076000 758.3963 2111.1527 1945.4926 111.2611 -206326.1465 17940.6922 0.0000 0.0000 34376.7798 -149082.3719 300.2210 -183459.1516 -148999.9938 299.7432 120.2524 156.1023 555282.4413 -1.5435 -1.3969 PRESSURE: 3076200 -275.081 53.4946 -172.3 53.4952 -298.589 166.128 -172.299 166.126 -87.0335 GPRESSURE: 3076200 -218.765 63.8508 -125.148 42.3105 -297.098 181.382 -204.13 159.761 -48.4166 PRESSAVG: 3076200 -45.0214 -17.5115 -1.79859 -17.5116 53.5022 81.7874 -1.79873 81.7875 21.2261 GPRESSAVG: 3076200 -45.2179 -20.1661 -1.1673 -15.4074 54.0801 79.9284 -0.49215 81.308 21.2614 TIMING: 3076200 CPU: 8915.18, 0.00288882/step Wall: 8915.18, 0.00288882/step, 1.54375 hours remaining, 209.308594 MB of memory in use. ENERGY: 3076200 782.8706 2098.9004 1959.7742 131.7685 -205725.1967 17486.0167 0.0000 0.0000 34506.6100 -148759.2563 301.3548 -183265.8663 -148655.6603 299.9404 -220.2343 -188.0932 557058.0311 9.9023 10.0412 LDB: ============= START OF LOAD BALANCING ============== 8918.56 LDB: ============== END OF LOAD BALANCING =============== 8918.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8918.56 LDB: ============= START OF LOAD BALANCING ============== 8918.85 LDB: Largest compute 4800 load 0.025567 is 21.7% of average load 0.117964 LDB: Average compute 0.001738 is 1.5% of average load 0.117964 LDB: TIME 8918.85 LOAD: AVG 0.117964 MAX 0.178619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.629 MB LDB: TIME 8918.85 LOAD: AVG 0.117964 MAX 0.178619 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.629 MB LDB: TIME 8918.85 LOAD: AVG 0.117964 MAX 0.178619 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8918.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8918.86 PRESSURE: 3076400 -58.7446 107.444 -86.1499 107.443 -54.6444 -112.332 -86.1479 -112.332 126.297 GPRESSURE: 3076400 -18.7448 50.9025 -103.426 142.428 -17.1932 -83.3492 -53.1109 -153.935 135.347 PRESSAVG: 3076400 -14.0835 -22.5546 9.19424 -22.5546 -23.4152 58.9664 9.19419 58.9663 83.2721 GPRESSAVG: 3076400 -14.2398 -20.401 9.03682 -24.0733 -23.3571 60.07 10.3858 59.0441 82.8712 TIMING: 3076400 CPU: 8915.76, 0.00293156/step Wall: 8915.76, 0.00293156/step, 1.56643 hours remaining, 208.808594 MB of memory in use. ENERGY: 3076400 709.4648 2147.9006 1947.2215 117.6434 -206005.3881 17822.2573 0.0000 0.0000 34335.9943 -148924.9063 299.8648 -183260.9006 -148819.9383 300.8616 4.3027 33.1365 557715.2702 15.2578 15.0914 PRESSURE: 3076600 -102.931 3.58335 -82.9676 3.5844 119.858 176.454 -82.9678 176.453 32.4187 GPRESSURE: 3076600 -33.2774 18.4896 -129.25 19.6612 107.836 99.8926 -8.9963 246.681 58.9801 PRESSAVG: 3076600 18.6319 4.2278 1.90403 4.22783 -13.0631 38.5111 1.90404 38.511 11.3167 GPRESSAVG: 3076600 19.1054 4.18097 0.214241 1.83666 -13.8786 38.2183 1.37534 37.8353 11.5224 TIMING: 3076600 CPU: 8916.34, 0.00288615/step Wall: 8916.34, 0.00288615/step, 1.54201 hours remaining, 208.808594 MB of memory in use. ENERGY: 3076600 758.2487 2089.1511 1972.9698 109.7998 -206039.2615 17769.7557 0.0000 0.0000 34379.0616 -148960.2749 300.2409 -183339.3364 -148860.6136 300.1792 16.4485 44.5130 557669.7563 5.6285 5.5830 PRESSURE: 3076800 63.3986 77.5255 -163.344 77.526 -125.005 -38.6416 -163.345 -38.6416 -105.023 GPRESSURE: 3076800 88.4438 98.7072 -87.8254 67.0048 -89.3574 -0.988402 -116.196 -111.676 -60.7215 PRESSAVG: 3076800 -36.8867 -13.1046 -28.6376 -13.1046 35.7779 -21.3797 -28.6376 -21.3797 -9.0358 GPRESSAVG: 3076800 -38.2471 -13.9804 -26.5559 -10.0468 35.7921 -22.8106 -29.3727 -19.783 -7.37752 TIMING: 3076800 CPU: 8916.91, 0.00287863/step Wall: 8916.91, 0.00287863/step, 1.53783 hours remaining, 208.808594 MB of memory in use. ENERGY: 3076800 757.7928 2092.0075 1979.9558 119.8565 -205696.0103 17669.7065 0.0000 0.0000 34212.9115 -148863.7797 298.7899 -183076.6912 -148770.3065 300.4119 -55.5432 -20.5451 558257.7394 -3.3815 -3.2775 PRESSURE: 3077000 -72.841 85.4411 31.493 85.4416 -120.988 -58.586 31.4925 -58.585 180.907 GPRESSURE: 3077000 -2.3734 82.5658 32.7588 34.6153 -98.4445 -76.8404 109.191 -53.2326 192.825 PRESSAVG: 3077000 -2.13014 4.48457 -10.7578 4.48464 -9.13931 -19.2591 -10.7578 -19.2591 35.1081 GPRESSAVG: 3077000 -0.420866 5.65135 -11.4464 1.96655 -9.70828 -17.9139 -10.0984 -18.8542 34.6863 TIMING: 3077000 CPU: 8917.5, 0.00290607/step Wall: 8917.5, 0.00290607/step, 1.55233 hours remaining, 208.808594 MB of memory in use. ENERGY: 3077000 760.8387 2060.5537 1965.7728 113.3234 -206146.7793 17912.4983 0.0000 0.0000 34378.4398 -148955.3525 300.2355 -183333.7923 -148858.6873 299.7509 -4.3071 30.6691 559392.4405 7.9462 8.1857 PRESSURE: 3077200 -50.2086 -145.819 37.3071 -145.819 220.067 -95.3525 37.3073 -95.3519 -3.43183 GPRESSURE: 3077200 -39.5475 -66.8247 48.8604 -106.195 299.348 -57.7464 43.4541 -125.319 17.4507 PRESSAVG: 3077200 -41.1606 2.00203 -23.7351 2.00205 -48.6687 15.8618 -23.7351 15.8618 92.4684 GPRESSAVG: 3077200 -41.6124 0.66559 -25.6387 3.2764 -47.3936 16.3252 -24.2238 15.6679 92.0366 TIMING: 3077200 CPU: 8918.08, 0.0029077/step Wall: 8918.08, 0.0029077/step, 1.55304 hours remaining, 208.808594 MB of memory in use. ENERGY: 3077200 736.3885 2114.0039 1935.1354 107.3658 -205969.1480 17905.8944 0.0000 0.0000 34201.3026 -148969.0574 298.6885 -183170.3600 -148874.8407 299.3375 55.4756 92.4172 559106.6662 0.8797 1.0102 PRESSURE: 3077400 154.341 -220.286 29.7616 -220.286 17.9033 30.4346 29.7606 30.4356 -53.2985 GPRESSURE: 3077400 217.963 -96.6951 -11.3439 -256.715 78.9713 117.964 67.8589 -78.6017 -67.1025 PRESSAVG: 3077400 -11.0324 -47.9192 3.77968 -47.9191 -4.30683 6.20498 3.77973 6.20492 18.8715 GPRESSAVG: 3077400 -11.4953 -48.0535 5.52174 -47.5154 -4.16911 6.4863 4.89441 5.5532 18.9304 TIMING: 3077400 CPU: 8918.66, 0.00292731/step Wall: 8918.66, 0.00292731/step, 1.56335 hours remaining, 208.808594 MB of memory in use. ENERGY: 3077400 780.4043 2054.3453 1949.9062 106.5683 -205838.9241 17843.9597 0.0000 0.0000 34383.4056 -148720.3346 300.2788 -183103.7402 -148625.6513 300.3850 39.6485 76.6107 558029.8851 1.1774 1.0887 PRESSURE: 3077600 313.108 -49.2822 -71.1327 -49.2816 121.457 87.1736 -71.131 87.1742 -107.912 GPRESSURE: 3077600 271.367 -151.724 -49.5048 -14.6782 153.126 117.758 -123.851 63.5284 4.79011 PRESSAVG: 3077600 8.9093 -16.7817 -41.1724 -16.7817 22.6757 -16.6634 -41.1723 -16.6634 -20.4087 GPRESSAVG: 3077600 9.44616 -15.9031 -42.0218 -18.1144 21.889 -16.189 -42.1473 -16.1352 -20.8102 TIMING: 3077600 CPU: 8919.24, 0.00290876/step Wall: 8919.24, 0.00290876/step, 1.55328 hours remaining, 208.808594 MB of memory in use. ENERGY: 3077600 776.1883 2063.1257 1955.8505 110.1423 -206010.5547 17930.9234 0.0000 0.0000 34411.0050 -148763.3193 300.5199 -183174.3243 -148676.2435 300.2530 108.8844 143.0942 557609.6221 3.7254 3.5084 PRESSURE: 3077800 32.6763 -116.049 -22.3074 -116.049 -276.691 97.7873 -22.3072 97.7893 -179.3 GPRESSURE: 3077800 9.75125 22.5102 -51.4142 -170.014 -194.799 102.866 -39.4107 23.1012 -118.833 PRESSAVG: 3077800 25.3673 -17.0787 73.9857 -17.0787 72.2066 34.8193 73.9857 34.8193 -59.0968 GPRESSAVG: 3077800 24.7793 -16.0049 76.8448 -17.2781 73.0557 34.6217 73.6242 34.7189 -59.1471 TIMING: 3077800 CPU: 8919.83, 0.00290855/step Wall: 8919.83, 0.00290855/step, 1.55301 hours remaining, 208.808594 MB of memory in use. ENERGY: 3077800 777.8253 2080.9643 1935.3846 128.0757 -205937.4183 17771.4047 0.0000 0.0000 34370.7791 -148872.9846 300.1686 -183243.7637 -148775.8573 300.4441 -141.1049 -101.2934 558591.5451 12.8257 12.8960 PRESSURE: 3078000 -29.6397 -62.884 -37.5506 -62.8824 -210.357 6.57177 -37.5505 6.57086 -327.386 GPRESSURE: 3078000 -5.48635 -36.7011 -28.0343 -77.3175 -148.754 27.6037 -67.5589 48.7452 -304.284 PRESSAVG: 3078000 61.6406 15.548 -23.2356 15.548 43.7491 53.6146 -23.2357 53.6147 -95.7761 GPRESSAVG: 3078000 62.216 15.1224 -24.804 15.9968 43.7746 53.7116 -25.2506 51.626 -95.9908 TIMING: 3078000 CPU: 8920.4, 0.0028882/step Wall: 8920.4, 0.0028882/step, 1.54198 hours remaining, 208.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3078000 742.8195 2096.2866 1960.2021 105.0002 -205589.0127 17445.9294 0.0000 0.0000 34198.6567 -149040.1182 298.6654 -183238.7749 -148934.4803 300.1729 -189.1276 -152.8415 557671.0500 3.2046 3.3332 PRESSURE: 3078200 47.6785 88.9683 -55.1166 88.9681 -15.0311 113.043 -55.1162 113.043 -39.8991 GPRESSURE: 3078200 132.356 -20.2054 -60.3243 56.0137 -26.3524 65.4851 25.3739 224.177 -28.175 PRESSAVG: 3078200 37.3583 -0.806377 13.0838 -0.806421 -19.8867 -33.1677 13.0837 -33.1677 -29.8294 GPRESSAVG: 3078200 36.7449 -2.06914 13.2997 -1.44015 -19.8289 -32.8057 14.0138 -31.3974 -28.9867 TIMING: 3078200 CPU: 8920.98, 0.00289928/step Wall: 8920.98, 0.00289928/step, 1.54773 hours remaining, 208.808594 MB of memory in use. ENERGY: 3078200 758.3135 2151.5713 1935.5388 105.6789 -206166.4595 17789.1011 0.0000 0.0000 34423.0688 -149003.1871 300.6252 -183426.2559 -148908.2912 299.7328 -2.4172 25.9430 558323.9314 -4.1192 -4.0235 PRESSURE: 3078400 37.3146 -21.5995 -3.51304 -21.5999 -51.474 105.726 -3.51317 105.726 -243.776 GPRESSURE: 3078400 -40.802 -100.02 25.225 2.27185 2.69837 55.1771 -95.871 69.0564 -104.801 PRESSAVG: 3078400 10.9776 15.3127 10.9845 15.3127 -40.0806 -18.1947 10.9847 -18.1946 29.2374 GPRESSAVG: 3078400 10.829 15.8995 8.77098 16.2764 -40.0165 -19.2403 11.9983 -17.555 29.3824 TIMING: 3078400 CPU: 8921.57, 0.00290782/step Wall: 8921.57, 0.00290782/step, 1.55213 hours remaining, 208.808594 MB of memory in use. ENERGY: 3078400 750.7963 2154.9137 1962.5985 115.1917 -206208.8353 17759.0181 0.0000 0.0000 34551.5219 -148914.7952 301.7470 -183466.3170 -148823.0552 300.1490 -85.9786 -47.6349 558138.6093 0.0448 0.0650 PRESSURE: 3078600 -37.5043 60.7972 -1.8392 60.7995 -45.6788 83.907 -1.84024 83.9071 -101.534 GPRESSURE: 3078600 -39.1111 -4.76863 28.8248 145.918 18.7333 59.9832 31.8617 32.1016 -67.1829 PRESSAVG: 3078600 -45.7357 -32.8951 12.8524 -32.895 2.24897 6.77039 12.8524 6.77042 9.71941 GPRESSAVG: 3078600 -46.3512 -33.2751 13.0161 -33.2433 1.59925 8.36738 13.498 4.54044 10.7789 TIMING: 3078600 CPU: 8922.14, 0.00287728/step Wall: 8922.14, 0.00287728/step, 1.53567 hours remaining, 208.808594 MB of memory in use. ENERGY: 3078600 738.8316 2098.0543 1972.4405 111.4203 -206071.8809 17676.3933 0.0000 0.0000 34381.8252 -149092.9156 300.2650 -183474.7409 -149003.1940 299.9984 -61.5724 -29.1869 557346.8836 -11.2558 -11.3244 PRESSURE: 3078800 18.2083 187.14 266.047 187.14 291.625 -17.8859 266.046 -17.8862 161.429 GPRESSURE: 3078800 90.4392 171.594 216.43 174.562 322.065 -22.8528 297.605 -1.39201 152.566 PRESSAVG: 3078800 -47.9791 -5.51459 22.0419 -5.5146 -16.2976 34.9836 22.0419 34.9838 114.39 GPRESSAVG: 3078800 -47.0341 -5.98012 22.3049 -6.66017 -15.7662 33.2905 22.982 35.7139 113.24 TIMING: 3078800 CPU: 8922.72, 0.00290198/step Wall: 8922.72, 0.00290198/step, 1.54869 hours remaining, 208.859375 MB of memory in use. ENERGY: 3078800 718.3307 2094.1145 1967.5890 109.9559 -206152.5944 17920.1572 0.0000 0.0000 34314.2377 -149028.2095 299.6748 -183342.4472 -148934.1988 299.5445 157.0874 188.3568 557563.8726 16.7044 16.8130 PRESSURE: 3079000 -147.285 -146.63 54.7252 -146.629 -113.597 -154.533 54.7254 -154.532 -48.0477 GPRESSURE: 3079000 -138.355 -154.008 83.2486 -171.184 -62.6722 -122.432 61.377 -127.206 3.5476 PRESSAVG: 3079000 -44.487 18.8534 -17.189 18.8535 -4.36397 8.08893 -17.1889 8.08895 3.70471 GPRESSAVG: 3079000 -44.4645 19.0041 -15.3034 19.4015 -4.96053 7.29554 -19.517 11.5642 4.44118 TIMING: 3079000 CPU: 8923.3, 0.00290559/step Wall: 8923.3, 0.00290559/step, 1.55045 hours remaining, 208.859375 MB of memory in use. ENERGY: 3079000 746.0337 2154.1722 1961.5899 118.4785 -206181.5021 17730.9476 0.0000 0.0000 34464.2527 -149006.0275 300.9849 -183470.2802 -148908.4601 299.4960 -102.9766 -65.8264 557495.0478 -15.0487 -14.9946 PRESSURE: 3079200 -225.728 44.8821 -35.9424 44.8818 -102.783 163.159 -35.9426 163.16 -9.54279 GPRESSURE: 3079200 -154.345 15.8042 -62.0972 116.291 -85.8852 196.161 -21.5919 162.178 9.10744 PRESSAVG: 3079200 -26.7892 -33.913 -35.3 -33.9129 12.1824 51.9464 -35.3 51.9464 -11.1839 GPRESSAVG: 3079200 -26.3401 -32.9473 -37.2309 -34.9213 12.3376 52.6972 -34.3692 49.9642 -11.5508 TIMING: 3079200 CPU: 8923.88, 0.0029128/step Wall: 8923.88, 0.0029128/step, 1.55414 hours remaining, 208.859375 MB of memory in use. ENERGY: 3079200 729.6031 2080.3577 1949.7798 101.9991 -205887.1437 17596.8104 0.0000 0.0000 34496.5738 -148932.0198 301.2672 -183428.5936 -148834.2037 299.7105 -112.6846 -77.0408 557778.1443 -8.5969 -8.5178 PRESSURE: 3079400 -308.809 60.4302 24.5631 60.4303 -200.433 -135.603 24.5634 -135.603 -137.728 GPRESSURE: 3079400 -250.203 -40.4529 59.2178 44.9973 -170.493 -127.036 20.7177 -90.8792 -123.562 PRESSAVG: 3079400 -37.7123 17.4603 12.4321 17.4602 24.8238 84.174 12.4319 84.1741 60.3152 GPRESSAVG: 3079400 -37.4207 14.8313 14.9901 18.3694 24.9355 84.1109 12.734 84.0377 59.8871 TIMING: 3079400 CPU: 8924.46, 0.00289974/step Wall: 8924.46, 0.00289974/step, 1.54701 hours remaining, 208.859375 MB of memory in use. ENERGY: 3079400 748.5359 2076.4926 1977.7488 116.6975 -205687.3533 17572.3804 0.0000 0.0000 34364.6365 -148830.8615 300.1149 -183195.4980 -148736.8961 300.1427 -215.6566 -181.4197 558665.1832 15.8089 15.8006 PRESSURE: 3079600 -167.432 -91.0515 51.0324 -91.0503 -172.502 140.24 51.0314 140.24 230.514 GPRESSURE: 3079600 -156.282 -68.9795 -8.87642 -152.473 -183.049 109.884 60.3464 119.95 321.744 PRESSAVG: 3079600 19.556 10.0877 17.8451 10.0878 -26.5484 40.0416 17.8452 40.0415 11.1171 GPRESSAVG: 3079600 18.3564 9.20264 16.8254 11.7419 -26.1667 39.7055 18.2466 40.503 12.3655 TIMING: 3079600 CPU: 8925.04, 0.00289801/step Wall: 8925.04, 0.00289801/step, 1.54593 hours remaining, 208.859375 MB of memory in use. ENERGY: 3079600 748.2773 2136.8184 1972.8739 108.8163 -205882.9355 17737.5928 0.0000 0.0000 34459.6104 -148718.9464 300.9443 -183178.5567 -148616.6579 301.1460 -36.4733 -5.8625 557582.1091 1.3749 1.5184 PRESSURE: 3079800 -112.022 -66.0268 -8.62308 -66.0259 -44.4565 92.8404 -8.62274 92.8415 -162.375 GPRESSURE: 3079800 -71.5227 3.36742 -47.1932 4.96546 9.78927 161.386 2.89256 81.894 -158.37 PRESSAVG: 3079800 -22.1916 -60.3641 6.42122 -60.3641 33.5159 5.71945 6.4212 5.71952 16.0273 GPRESSAVG: 3079800 -21.2826 -57.6423 6.52754 -61.2982 33.4857 6.96009 5.69578 4.19672 15.6635 TIMING: 3079800 CPU: 8925.62, 0.00288255/step Wall: 8925.62, 0.00288255/step, 1.53752 hours remaining, 208.859375 MB of memory in use. ENERGY: 3079800 751.6202 2101.8716 1912.9624 117.9395 -205743.7966 17677.7146 0.0000 0.0000 34402.7746 -148778.9138 300.4480 -183181.6883 -148676.0903 300.6304 -106.2846 -73.3677 559072.3859 9.1172 9.2889 PRESSURE: 3080000 -160.329 -22.1467 -21.0206 -22.1467 -69.2063 -36.2771 -21.0207 -36.2758 -23.5899 GPRESSURE: 3080000 -158.99 -66.8891 -13.8266 -31.6114 -47.94 73.397 18.0424 13.6762 45.6067 PRESSAVG: 3080000 -9.3332 -72.0733 -7.48451 -72.0733 14.211 4.61295 -7.48452 4.6131 -16.3819 GPRESSAVG: 3080000 -10.7417 -73.4635 -7.22777 -72.4383 14.8149 2.7287 -8.15621 6.41409 -15.5081 TIMING: 3080000 CPU: 8926.2, 0.00289381/step Wall: 8926.2, 0.00289381/step, 1.54336 hours remaining, 208.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3080000 781.4515 2069.3924 1944.4773 126.2839 -205714.4342 17589.0612 0.0000 0.0000 34289.0583 -148914.7097 299.4549 -183203.7679 -148819.2761 300.4576 -84.3752 -53.7744 557980.5133 -3.8347 -3.8117 PRESSURE: 3080200 38.4366 11.3898 -8.20165 11.3912 117.293 -64.6545 -8.20129 -64.6558 -191.326 GPRESSURE: 3080200 59.0831 25.4699 -111.605 37.2975 114.923 -118.811 18.5481 -94.2742 -106.644 PRESSAVG: 3080200 21.1911 -61.1326 -12.366 -61.1326 2.93239 -30.7595 -12.366 -30.7595 27.2545 GPRESSAVG: 3080200 21.2852 -61.2351 -13.2469 -61.5261 4.3303 -31.2686 -12.2593 -31.4152 26.0133 TIMING: 3080200 CPU: 8926.78, 0.00289725/step Wall: 8926.78, 0.00289725/step, 1.54504 hours remaining, 208.859375 MB of memory in use. ENERGY: 3080200 724.8897 2124.1857 1953.0298 106.0335 -206161.0970 17847.1380 0.0000 0.0000 34361.9831 -149043.8370 300.0917 -183405.8202 -148940.6248 299.8717 -11.8656 22.4539 559369.7305 17.1260 17.2096 LDB: ============= START OF LOAD BALANCING ============== 8930.16 LDB: ============== END OF LOAD BALANCING =============== 8930.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8930.17 LDB: ============= START OF LOAD BALANCING ============== 8930.46 LDB: Largest compute 4800 load 0.025583 is 21.7% of average load 0.117933 LDB: Average compute 0.001739 is 1.5% of average load 0.117933 LDB: TIME 8930.46 LOAD: AVG 0.117933 MAX 0.182031 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.172 MB LDB: TIME 8930.46 LOAD: AVG 0.117933 MAX 0.182031 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.375 MB LDB: TIME 8930.46 LOAD: AVG 0.117933 MAX 0.182031 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8930.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8930.47 PRESSURE: 3080400 -104.889 -20.6249 -84.0734 -20.6243 335.263 -167.077 -84.0741 -167.077 -196.727 GPRESSURE: 3080400 -48.1584 6.01475 -85.9084 9.66178 354.983 -155.094 -194.181 -166.111 -176.094 PRESSAVG: 3080400 -39.4049 -34.674 -7.8186 -34.674 31.525 -14.4598 -7.81863 -14.4598 14.5821 GPRESSAVG: 3080400 -38.0585 -35.4399 -7.59816 -32.733 29.7556 -15.2895 -8.58649 -13.8764 14.7094 TIMING: 3080400 CPU: 8927.37, 0.00296279/step Wall: 8927.37, 0.00296279/step, 1.57983 hours remaining, 208.941406 MB of memory in use. ENERGY: 3080400 742.9067 2130.7634 1959.5562 115.5291 -206370.4102 17929.1655 0.0000 0.0000 34425.7744 -149066.7148 300.6489 -183492.4892 -148961.1073 299.7898 11.2156 43.5770 556963.3656 2.2341 2.1355 PRESSURE: 3080600 227.324 -117.32 -91.3951 -117.32 240.496 -63.9602 -91.396 -63.9593 228.284 GPRESSURE: 3080600 244.737 -32.7152 -73.7662 -215.438 342.18 -12.9169 -37.8342 -110.025 212.734 PRESSAVG: 3080600 -34.7147 -12.811 -40.0519 -12.8111 79.4702 -20.978 -40.0519 -20.978 25.3863 GPRESSAVG: 3080600 -35.4591 -9.8285 -40.2128 -16.577 81.044 -18.131 -38.0976 -23.1694 24.674 TIMING: 3080600 CPU: 8927.95, 0.00289691/step Wall: 8927.95, 0.00289691/step, 1.54453 hours remaining, 208.941406 MB of memory in use. ENERGY: 3080600 728.6156 2082.3794 1949.3756 108.4775 -206414.8984 18109.7317 0.0000 0.0000 34398.3681 -149037.9505 300.4095 -183436.3186 -148946.5786 299.6240 232.0343 266.5504 557414.7141 23.3806 23.4196 PRESSURE: 3080800 150.897 -89.5044 -62.3908 -89.5055 -213.376 -75.7008 -62.3905 -75.7008 -39.9026 GPRESSURE: 3080800 168.89 -80.7269 -119.838 -83.1353 -158.876 -102.787 -22.8282 -63.8477 -1.60186 PRESSAVG: 3080800 -43.728 -36.9515 -37.8797 -36.9516 -25.1846 7.86584 -37.8797 7.86573 72.0859 GPRESSAVG: 3080800 -42.0663 -39 -36.1468 -35.7399 -26.5065 6.90817 -39.4619 8.75185 71.668 TIMING: 3080800 CPU: 8928.53, 0.00288355/step Wall: 8928.53, 0.00288355/step, 1.53725 hours remaining, 208.941406 MB of memory in use. ENERGY: 3080800 734.7057 2104.9885 1961.8970 104.7623 -205943.4897 17710.5905 0.0000 0.0000 34341.0047 -148985.5410 299.9085 -183326.5456 -148893.8750 299.5537 -34.1272 2.8043 557925.1335 1.0578 1.0317 PRESSURE: 3081000 55.8071 -15.1671 34.5403 -15.1684 133.403 -23.704 34.5403 -23.7026 270.575 GPRESSURE: 3081000 70.5351 -45.8173 -43.414 -56.6684 170.973 -73.3367 55.9577 -30.1143 317.376 PRESSAVG: 3081000 27.6528 -54.1009 6.00157 -54.101 -14.2934 -39.8873 6.00147 -39.8873 33.0449 GPRESSAVG: 3081000 25.8518 -55.3963 4.22658 -52.7464 -14.4536 -41.5976 6.30782 -40.5191 35.1919 TIMING: 3081000 CPU: 8929.11, 0.00291434/step Wall: 8929.11, 0.00291434/step, 1.5535 hours remaining, 208.941406 MB of memory in use. ENERGY: 3081000 759.7506 2144.6803 1946.4113 111.5701 -206150.5190 17889.3035 0.0000 0.0000 34322.5944 -148976.2089 299.7478 -183298.8033 -148879.4194 300.5570 153.2615 186.2946 556034.7112 15.4681 15.5300 PRESSURE: 3081200 -157.294 -62.5472 21.8715 -62.5489 -35.2442 -47.4654 21.871 -47.4647 -366.195 GPRESSURE: 3081200 -145.399 -45.8568 -38.4101 -81.1058 -26.1642 -17.0897 32.0503 16.0562 -293.755 PRESSAVG: 3081200 -45.4407 -7.46276 33.341 -7.46276 -11.7977 -13.7246 33.341 -13.7245 -6.75551 GPRESSAVG: 3081200 -44.6402 -6.57177 33.9628 -8.99775 -11.3439 -12.7327 31.2229 -13.6521 -7.65749 TIMING: 3081200 CPU: 8929.69, 0.00288793/step Wall: 8929.69, 0.00288793/step, 1.53927 hours remaining, 208.941406 MB of memory in use. ENERGY: 3081200 727.3625 2107.8745 1976.5984 111.7499 -205831.9658 17491.2468 0.0000 0.0000 34322.7471 -149094.3867 299.7491 -183417.1338 -148991.9089 299.6214 -186.2443 -155.1060 558045.5684 -21.3313 -21.2139 PRESSURE: 3081400 -2.00644 -21.8107 35.8795 -21.8111 241.086 -58.9168 35.8795 -58.9179 -147.652 GPRESSURE: 3081400 1.9906 -6.76597 119.818 14.7596 276.17 -140.286 -38.8907 15.6205 -82.9765 PRESSAVG: 3081400 77.7886 53.5379 11.2532 53.5379 -59.063 3.04612 11.2531 3.04608 -26.3045 GPRESSAVG: 3081400 77.7048 54.4299 11.6674 55.6092 -59.2559 1.2246 12.8938 1.87623 -25.7363 TIMING: 3081400 CPU: 8930.26, 0.00286421/step Wall: 8930.26, 0.00286421/step, 1.52646 hours remaining, 208.941406 MB of memory in use. ENERGY: 3081400 749.1343 2042.4736 1976.0993 114.7034 -205918.8940 17771.5107 0.0000 0.0000 34232.3659 -149032.6068 298.9598 -183264.9728 -148930.8472 300.0301 30.4761 65.0615 555211.3877 -2.5263 -2.4291 PRESSURE: 3081600 -302.122 -100.733 -4.52466 -100.732 -438.459 -44.3896 -4.52418 -44.3884 -260.144 GPRESSURE: 3081600 -319.962 -56.5472 -3.20512 -81.6459 -321.308 -82.7088 -51.5434 -59.203 -282.114 PRESSAVG: 3081600 -37.3842 -6.96339 -6.29563 -6.9633 60.9749 -3.40075 -6.29568 -3.40076 -6.20367 GPRESSAVG: 3081600 -37.2185 -7.61483 -7.3131 -9.0215 59.9137 -1.6786 -5.44781 -3.20541 -5.31671 TIMING: 3081600 CPU: 8930.84, 0.00289164/step Wall: 8930.84, 0.00289165/step, 1.54093 hours remaining, 208.941406 MB of memory in use. ENERGY: 3081600 749.0270 2098.4116 1960.2295 110.2943 -205689.4025 17493.3529 0.0000 0.0000 34236.8945 -149041.1928 298.9993 -183278.0873 -148943.3465 299.6440 -333.5749 -307.7946 558484.6437 5.7957 5.7928 PRESSURE: 3081800 5.29691 234.716 -104.248 234.716 -192.872 -74.6752 -104.247 -74.6745 -113.935 GPRESSURE: 3081800 -11.4066 190 -133.086 197.194 -98.4317 -33.033 -142.169 -42.1574 -75.0714 PRESSAVG: 3081800 18.8736 9.8726 25.6781 9.87263 1.61307 7.66034 25.6782 7.66035 -4.11721 GPRESSAVG: 3081800 19.7345 7.56581 25.3766 10.322 3.05953 7.28812 24.7883 7.75908 -5.85356 TIMING: 3081800 CPU: 8931.42, 0.00290557/step Wall: 8931.42, 0.00290556/step, 1.54818 hours remaining, 208.941406 MB of memory in use. ENERGY: 3081800 737.6978 2071.3909 1957.3994 123.4381 -205877.5833 17768.6667 0.0000 0.0000 34159.3762 -149059.6141 298.3223 -183218.9903 -148958.4359 300.2147 -100.5035 -61.6365 557907.6638 5.4565 5.6468 PRESSURE: 3082000 -35.6756 214.035 -58.906 214.034 -124.296 -115.959 -58.9056 -115.959 -294.251 GPRESSURE: 3082000 55.6833 241.861 -45.6175 213.103 -123.538 -125.158 -206.123 -66.2326 -292.993 PRESSAVG: 3082000 -0.164566 50.7027 -34.4064 50.7028 -29.1302 -11.8915 -34.4065 -11.8916 41.6631 GPRESSAVG: 3082000 0.448723 53.2522 -32.6782 50.1924 -30.9874 -10.9717 -33.7791 -10.1693 42.4929 TIMING: 3082000 CPU: 8932, 0.00290015/step Wall: 8932, 0.00290015/step, 1.54514 hours remaining, 208.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3082000 777.9909 2136.0810 1994.8505 115.2272 -206007.7957 17530.0818 0.0000 0.0000 34374.0276 -149079.5366 300.1969 -183453.5642 -148984.5430 299.7818 -151.4075 -120.2827 556669.0392 4.1228 3.9847 PRESSURE: 3082200 -206.692 167.622 -85.3301 167.622 -43.5393 24.7164 -85.3301 24.7171 -34.0435 GPRESSURE: 3082200 -144.726 236.473 -140.021 85.0838 -47.346 0.37161 -76.197 32.4523 17.2726 PRESSAVG: 3082200 -38.764 -14.4958 -56.8831 -14.4958 20.2473 44.0679 -56.8831 44.0677 20.45 GPRESSAVG: 3082200 -39.4665 -14.44 -57.5347 -13.0473 20.5837 42.782 -57.8369 43.2292 20.57 TIMING: 3082200 CPU: 8932.58, 0.00289811/step Wall: 8932.58, 0.00289811/step, 1.54389 hours remaining, 208.941406 MB of memory in use. ENERGY: 3082200 779.5040 2092.7861 1970.5784 118.6288 -206175.5521 17795.1461 0.0000 0.0000 34319.7226 -149099.1863 299.7227 -183418.9088 -149008.3904 300.3647 -94.7583 -58.2666 557838.4326 0.6444 0.5624 PRESSURE: 3082400 145.209 -51.9251 30.9692 -51.9243 -29.3226 24.2031 30.9705 24.2024 -236.791 GPRESSURE: 3082400 194.345 -71.5636 74.0517 -61.7653 -32.3537 86.7895 9.95996 -32.5235 -172.197 PRESSAVG: 3082400 -16.1012 20.4682 9.78615 20.4682 40.2428 -1.25281 9.78618 -1.25277 15.8511 GPRESSAVG: 3082400 -16.226 21.8309 11.685 17.7015 40.56 1.73262 9.42962 -1.16533 15.6532 TIMING: 3082400 CPU: 8933.16, 0.00290864/step Wall: 8933.16, 0.00290864/step, 1.54934 hours remaining, 208.941406 MB of memory in use. ENERGY: 3082400 777.4106 2115.5416 1948.7319 111.7702 -206304.5468 17785.6315 0.0000 0.0000 34555.0827 -149010.3783 301.7781 -183565.4610 -148912.5645 300.1866 -40.3014 -3.4018 555876.1940 13.3309 13.3291 PRESSURE: 3082600 3.44305 46.7676 45.6175 46.768 -26.3254 -66.9865 45.618 -66.9872 212.108 GPRESSURE: 3082600 48.6188 41.9052 33.7063 5.0505 -32.0705 -204.892 72.8998 11.6201 263.209 PRESSAVG: 3082600 -3.74267 -7.02536 11.4055 -7.02529 35.8776 34.1591 11.4055 34.1591 -41.5715 GPRESSAVG: 3082600 -4.18453 -7.46474 10.4637 -5.94829 36.2064 32.9868 12.4051 34.8801 -41.7012 TIMING: 3082600 CPU: 8933.74, 0.00288012/step Wall: 8933.74, 0.00288012/step, 1.53399 hours remaining, 208.941406 MB of memory in use. ENERGY: 3082600 734.6903 2071.5287 1985.9518 121.9665 -206064.1787 17773.2182 0.0000 0.0000 34180.4070 -149196.4161 298.5060 -183376.8232 -149104.2377 299.6686 63.0752 93.2524 557049.1100 -3.1455 -3.2265 PRESSURE: 3082800 -14.2786 -86.8577 -20.0684 -86.8579 -95.4554 146.753 -20.0679 146.754 -53.7263 GPRESSURE: 3082800 53.7194 -150.923 -8.36996 33.9976 -80.5218 186.415 -4.50999 105.992 -36.9168 PRESSAVG: 3082800 43.5411 -1.6588 -10.6897 -1.65892 15.7935 -15.7828 -10.6897 -15.7828 8.17102 GPRESSAVG: 3082800 43.6932 -3.57657 -12.0086 -0.930591 15.4246 -16.6195 -8.15509 -16.3156 7.98514 TIMING: 3082800 CPU: 8934.32, 0.00290953/step Wall: 8934.32, 0.00290953/step, 1.54949 hours remaining, 208.941406 MB of memory in use. ENERGY: 3082800 764.5477 2056.1416 1986.5136 112.8373 -205686.8141 17580.7094 0.0000 0.0000 34027.2609 -149158.8036 297.1685 -183186.0646 -149064.3073 299.2364 -54.4868 -21.2397 556542.7830 22.5019 22.3676 PRESSURE: 3083000 -19.4652 114.895 -14.7002 114.896 -85.6862 -66.7345 -14.7012 -66.7353 27.7263 GPRESSURE: 3083000 62.3184 96.9915 -19.2801 63.0407 -55.0757 -106.182 31.5008 -15.9407 12.8719 PRESSAVG: 3083000 85.7997 -30.5148 4.52965 -30.5148 -32.8964 63.1807 4.52956 63.1807 -1.46769 GPRESSAVG: 3083000 84.593 -30.7583 6.66171 -30.8961 -32.9405 61.4849 1.05207 64.9901 -0.302892 TIMING: 3083000 CPU: 8934.9, 0.00290298/step Wall: 8934.9, 0.00290298/step, 1.54584 hours remaining, 209.199219 MB of memory in use. ENERGY: 3083000 744.4502 2091.8719 1957.3805 111.1004 -205737.8646 17672.9777 0.0000 0.0000 34176.8119 -148983.2719 298.4746 -183160.0838 -148891.2227 299.4857 -25.8084 6.7049 557066.7433 17.1452 17.1166 PRESSURE: 3083200 58.7804 -45.0709 111.163 -45.0701 -384.094 -64.8369 111.164 -64.8369 -40.8151 GPRESSURE: 3083200 83.1107 -54.1989 119.694 -166.302 -322.367 12.195 66.3301 -63.8893 -39.5083 PRESSAVG: 3083200 23.5494 -27.316 -40.3146 -27.316 -20.0072 -14.1263 -40.3146 -14.1262 35.3447 GPRESSAVG: 3083200 24.4228 -25.7795 -44.1729 -28.2288 -20.2562 -13.819 -38.6339 -18.0761 34.4582 TIMING: 3083200 CPU: 8935.48, 0.00290139/step Wall: 8935.48, 0.00290139/step, 1.54483 hours remaining, 209.199219 MB of memory in use. ENERGY: 3083200 789.3533 2084.8700 1946.3875 116.8591 -205759.5858 17477.5916 0.0000 0.0000 34257.7553 -149086.7690 299.1815 -183344.5244 -148987.9255 299.8757 -122.0427 -92.9217 556473.8610 12.9623 12.8749 PRESSURE: 3083400 -59.7393 -122.603 -74.4051 -122.603 127.502 14.6014 -74.4056 14.6002 112.937 GPRESSURE: 3083400 -60.5626 -113.04 -19.9656 -132.806 188.02 34.929 -36.4013 73.8686 145.023 PRESSAVG: 3083400 -15.2509 14.2091 21.9309 14.2092 -6.44557 16.2903 21.9309 16.2903 46.2203 GPRESSAVG: 3083400 -16.1086 14.3946 23.5187 15.8231 -6.40137 19.2075 20.7749 15.4243 46.2622 TIMING: 3083400 CPU: 8936.06, 0.00288488/step Wall: 8936.06, 0.00288488/step, 1.53588 hours remaining, 209.199219 MB of memory in use. ENERGY: 3083400 744.6797 2113.9700 1952.3513 110.4175 -206224.3004 17958.1958 0.0000 0.0000 34159.4144 -149185.2717 298.3227 -183344.6861 -149088.2093 299.2643 60.2333 90.8269 557077.8126 8.1746 7.9174 PRESSURE: 3083600 -246.039 54.6474 -1.71501 54.6474 34.5219 8.55502 -1.71353 8.55522 -139.237 GPRESSURE: 3083600 -225.544 80.5897 -18.4299 60.0357 88.5576 -28.4614 21.6156 4.97332 -119.047 PRESSAVG: 3083600 -22.4891 -27.6421 -0.525087 -27.642 48.5746 37.6499 -0.525132 37.6499 5.25681 GPRESSAVG: 3083600 -22.3426 -27.8379 -1.95883 -29.6724 47.9171 38.6875 1.06217 38.0737 5.8443 TIMING: 3083600 CPU: 8936.64, 0.00290374/step Wall: 8936.64, 0.00290374/step, 1.54576 hours remaining, 209.199219 MB of memory in use. ENERGY: 3083600 775.9026 2128.4674 1937.6438 120.8481 -206118.5989 17817.5600 0.0000 0.0000 34158.0613 -149180.1157 298.3108 -183338.1770 -149079.5473 299.3361 -116.9182 -85.3445 559482.1407 10.4474 10.4729 PRESSURE: 3083800 25.7955 -41.8081 144.759 -41.8092 136.291 35.279 144.758 35.2788 85.6723 GPRESSURE: 3083800 45.7534 -7.50473 153.231 -17.8699 134.912 44.1525 110.986 43.903 182.033 PRESSAVG: 3083800 0.137154 -29.3718 28.1243 -29.3719 45.901 91.5463 28.1243 91.5463 -80.4783 GPRESSAVG: 3083800 0.454148 -30.547 30.2014 -29.3414 46.9914 89.4428 27.3678 94.1214 -81.9452 TIMING: 3083800 CPU: 8937.22, 0.00290305/step Wall: 8937.22, 0.00290305/step, 1.54523 hours remaining, 209.199219 MB of memory in use. ENERGY: 3083800 727.2405 2145.6346 1952.9192 115.8010 -206410.1016 18002.3510 0.0000 0.0000 34176.0990 -149290.0563 298.4684 -183466.1553 -149194.2530 298.9710 82.5862 120.8994 558644.2523 -11.4801 -11.4999 PRESSURE: 3084000 -81.2717 163.61 -15.7289 163.61 187.504 21.7123 -15.7284 21.7127 28.7888 GPRESSURE: 3084000 -68.3888 22.3306 -41.1222 179.713 233.744 -15.2359 -1.60355 16.9481 66.5932 PRESSAVG: 3084000 0.830455 -57.4887 19.7519 -57.4887 15.1727 45.3468 19.7519 45.3468 -4.48693 GPRESSAVG: 3084000 1.33339 -56.7577 19.6603 -56.7835 14.7005 44.8621 19.6129 45.0369 -4.90351 TIMING: 3084000 CPU: 8937.8, 0.00290038/step Wall: 8937.8, 0.00290038/step, 1.54365 hours remaining, 209.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3084000 748.1419 2085.8916 1972.4893 119.0212 -206600.6579 18041.7981 0.0000 0.0000 34320.5573 -149312.7586 299.7300 -183633.3158 -149207.9893 299.2436 45.0071 77.3162 558116.4028 3.8387 3.7101 PRESSURE: 3084200 60.5084 27.0942 63.0453 27.0945 61.8536 -175.175 63.0464 -175.174 262.446 GPRESSURE: 3084200 112.825 -2.59255 74.1426 -26.3033 96.6441 -151.717 90.8347 -228.456 271.735 PRESSAVG: 3084200 13.5422 -54.3935 16.7003 -54.3935 18.4534 -12.2893 16.7003 -12.2892 -50.9983 GPRESSAVG: 3084200 12.943 -55.1862 18.8611 -55.2474 19.1456 -11.8554 16.8105 -13.5149 -51.1491 TIMING: 3084200 CPU: 8938.38, 0.00288444/step Wall: 8938.38, 0.00288444/step, 1.535 hours remaining, 209.199219 MB of memory in use. ENERGY: 3084200 738.6207 2105.9443 1956.1002 114.8330 -206496.9305 18091.4522 0.0000 0.0000 34213.9705 -149276.0095 298.7991 -183489.9801 -149182.1888 298.8145 128.2693 160.4016 557286.4542 -6.3342 -6.3535 LDB: ============= START OF LOAD BALANCING ============== 8941.76 LDB: ============== END OF LOAD BALANCING =============== 8941.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8941.76 LDB: ============= START OF LOAD BALANCING ============== 8942.05 LDB: Largest compute 4801 load 0.024684 is 20.9% of average load 0.117997 LDB: Average compute 0.001734 is 1.5% of average load 0.117997 LDB: TIME 8942.05 LOAD: AVG 0.117997 MAX 0.179533 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.281 MB LDB: TIME 8942.05 LOAD: AVG 0.117997 MAX 0.179533 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.281 MB LDB: TIME 8942.05 LOAD: AVG 0.117997 MAX 0.179533 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8942.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8942.06 PRESSURE: 3084400 145.107 -43.3846 97.5333 -43.3855 240.262 -52.8639 97.5318 -52.8648 165.698 GPRESSURE: 3084400 197.488 -85.8537 120.202 -35.2539 230.704 0.283751 64.5615 -31.943 227.023 PRESSAVG: 3084400 65.7467 -9.19728 41.8206 -9.1973 26.0956 20.8735 41.8207 20.8735 -59.7962 GPRESSAVG: 3084400 66.0387 -9.17491 38.9569 -8.01067 26.2785 19.6812 43.7109 23.7338 -59.6431 TIMING: 3084400 CPU: 8938.96, 0.00294028/step Wall: 8938.96, 0.00294028/step, 1.56456 hours remaining, 209.242188 MB of memory in use. ENERGY: 3084400 739.3325 2101.4150 1973.3667 121.4609 -206310.6437 17936.1783 0.0000 0.0000 34201.4224 -149237.4680 298.6895 -183438.8904 -149143.8972 299.0810 183.6892 218.4048 556728.8097 10.6820 10.8914 PRESSURE: 3084600 213.884 -176.358 11.6872 -176.358 -3.00005 94.7917 11.6868 94.7916 128.641 GPRESSURE: 3084600 286.023 -137.214 -32.2994 -103.519 -5.79584 119.416 23.2842 66.4816 164.14 PRESSAVG: 3084600 31.2269 14.7912 -2.9053 14.7912 17.8387 81.0616 -2.90532 81.0615 -39.4098 GPRESSAVG: 3084600 32.3366 16.4315 -3.32624 14.1542 16.3147 80.8951 -4.65838 79.7521 -38.9298 TIMING: 3084600 CPU: 8939.55, 0.00291213/step Wall: 8939.55, 0.00291213/step, 1.54941 hours remaining, 209.242188 MB of memory in use. ENERGY: 3084600 735.2258 2118.5147 1974.5664 109.2173 -206107.3290 17868.5829 0.0000 0.0000 34099.1445 -149202.0775 297.7963 -183301.2220 -149102.7080 299.0293 113.1749 148.1223 557623.5032 3.2186 3.2405 PRESSURE: 3084800 68.7939 -171.643 24.2424 -171.643 -5.86089 -127.679 24.2438 -127.68 -64.7348 GPRESSURE: 3084800 79.7013 -71.7093 -11.2138 -124.002 56.7536 -96.0493 38.7682 -122.636 -39.7625 PRESSAVG: 3084800 4.81076 -15.0399 6.3056 -15.0399 15.1665 34.7777 6.3056 34.7776 2.29234 GPRESSAVG: 3084800 4.53881 -16.6415 5.60736 -14.1105 17.4202 34.5523 7.78009 34.0328 0.746766 TIMING: 3084800 CPU: 8940.13, 0.00290633/step Wall: 8940.13, 0.00290633/step, 1.54617 hours remaining, 209.242188 MB of memory in use. ENERGY: 3084800 762.2059 2095.1311 1950.3936 114.2063 -206203.0785 17846.3045 0.0000 0.0000 34270.1946 -149164.6425 299.2901 -183434.8371 -149065.6996 299.5068 -0.6006 32.2308 556909.4293 7.4232 7.5686 PRESSURE: 3085000 -135.933 119.872 -12.127 119.872 -270.885 -184.329 -12.126 -184.331 -53.2881 GPRESSURE: 3085000 -55.7459 126.008 -80.1377 112.594 -236.031 -137.618 51.4667 -235.039 -66.0878 PRESSAVG: 3085000 -32.5336 -5.42251 -4.38139 -5.4224 19.8563 -3.49647 -4.38141 -3.49648 4.8491 GPRESSAVG: 3085000 -31.7229 -4.26107 -2.68416 -6.24304 19.0797 -2.16596 -4.58075 -3.187 4.50785 TIMING: 3085000 CPU: 8940.71, 0.00290288/step Wall: 8940.71, 0.00290288/step, 1.54417 hours remaining, 209.242188 MB of memory in use. ENERGY: 3085000 734.8791 2068.5698 1967.5464 120.6044 -205809.0672 17568.4842 0.0000 0.0000 34355.7583 -148993.2250 300.0374 -183348.9833 -148897.5156 299.2315 -153.3687 -119.2883 558458.4450 -2.6094 -2.7118 PRESSURE: 3085200 40.3926 9.32044 5.84618 9.32111 -288.753 33.296 5.84674 33.2949 -74.7548 GPRESSURE: 3085200 106.433 8.25622 -26.0362 -38.2982 -243.983 36.7888 40.7646 32.8538 -79.6402 PRESSAVG: 3085200 -20.6733 13.5702 7.45008 13.5703 -39.3856 0.947586 7.45007 0.947605 69.176 GPRESSAVG: 3085200 -22.3964 12.8868 7.69904 13.248 -40.3075 -0.284057 8.33888 -0.573631 71.654 TIMING: 3085200 CPU: 8941.29, 0.00290123/step Wall: 8941.29, 0.00290123/step, 1.54313 hours remaining, 209.257812 MB of memory in use. ENERGY: 3085200 737.6416 2080.1686 1949.5153 99.9083 -206150.0265 17860.1670 0.0000 0.0000 34403.4254 -149019.2004 300.4537 -183422.6258 -148927.7220 299.3828 -107.7050 -72.3967 559367.8673 3.0391 2.9834 PRESSURE: 3085400 -111.896 -77.872 110.089 -77.8715 -6.58983 -33.9416 110.089 -33.9422 -9.26126 GPRESSURE: 3085400 -91.2843 -36.0806 150.189 -126.916 17.2781 -49.7347 111.714 -4.8603 57.8018 PRESSAVG: 3085400 83.798 -15.9245 5.11781 -15.9246 -11.4535 19.5153 5.1179 19.5153 -27.6393 GPRESSAVG: 3085400 84.1003 -15.6258 5.07282 -14.7423 -12.0491 20.248 3.18225 22.222 -27.4011 TIMING: 3085400 CPU: 8941.87, 0.00291327/step Wall: 8941.87, 0.00291327/step, 1.54937 hours remaining, 209.265625 MB of memory in use. ENERGY: 3085400 733.8916 2065.2784 1959.3612 112.6236 -205978.3079 17768.5995 0.0000 0.0000 34273.8405 -149064.7132 299.3220 -183338.5537 -148973.6993 300.2179 -42.5825 -5.4015 559104.1521 14.9017 14.8834 PRESSURE: 3085600 36.7772 6.72977 -97.2848 6.73065 -49.3182 67.1001 -97.284 67.101 -97.9956 GPRESSURE: 3085600 80.1375 -30.6137 -176.965 -52.8194 -25.8534 -13.4447 -29.0645 111.282 -72.739 PRESSAVG: 3085600 -68.9793 -30.0159 3.81935 -30.0159 39.7067 40.9118 3.81943 40.9117 31.5038 GPRESSAVG: 3085600 -69.8154 -29.6944 3.81294 -32.5145 40.4627 39.8948 3.99618 40.2117 31.6097 TIMING: 3085600 CPU: 8942.46, 0.00292805/step Wall: 8942.46, 0.00292805/step, 1.55707 hours remaining, 209.562500 MB of memory in use. ENERGY: 3085600 770.0850 2074.9721 1948.4737 109.5454 -206029.7946 17659.6749 0.0000 0.0000 34431.9363 -149035.1073 300.7027 -183467.0436 -148941.1937 299.7530 -36.8455 -6.1516 556679.5215 0.7437 0.7523 PRESSURE: 3085800 -44.9241 -70.2376 -59.599 -70.2372 213.835 149.031 -59.5994 149.031 263.547 GPRESSURE: 3085800 -24.2541 -104.385 -39.7034 -92.6636 280.924 143.372 -89.9758 98.9865 274.948 PRESSAVG: 3085800 -69.0313 -63.8664 -31.0764 -63.8664 15.4425 15.5129 -31.0764 15.5129 38.0642 GPRESSAVG: 3085800 -67.4672 -65.2838 -31.386 -61.8156 15.0835 15.803 -31.668 15.9081 37.041 TIMING: 3085800 CPU: 8943.04, 0.00289303/step Wall: 8943.04, 0.00289303/step, 1.53829 hours remaining, 209.562500 MB of memory in use. ENERGY: 3085800 735.8098 2131.6943 1964.0380 118.8962 -206507.7659 17961.8023 0.0000 0.0000 34507.3466 -149088.1786 301.3612 -183595.5253 -148995.9765 299.4755 144.1528 177.2060 555400.4456 -5.1749 -5.1142 PRESSURE: 3086000 245.122 38.3967 -229.065 38.3955 -225.252 64.921 -229.066 64.9206 -53.8078 GPRESSURE: 3086000 242.006 30.1702 -162.624 -24.4853 -163.473 78.3908 -216.245 37.1641 -13.9278 PRESSAVG: 3086000 10.4352 7.53242 -36.0803 7.53237 -6.11969 11.3367 -36.0802 11.3367 28.6396 GPRESSAVG: 3086000 8.20298 7.73319 -36.5459 7.63494 -5.55251 12.6209 -35.1658 8.80904 30.2615 TIMING: 3086000 CPU: 8943.61, 0.00289077/step Wall: 8943.61, 0.00289077/step, 1.53692 hours remaining, 209.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3086000 757.2901 2045.2428 1942.3051 98.5247 -206295.8294 17967.0236 0.0000 0.0000 34323.1429 -149162.3002 299.7525 -183485.4431 -149061.9994 299.3300 -11.3127 21.5349 557409.2368 10.9851 10.9706 PRESSURE: 3086200 -262.946 -60.8423 183.036 -60.8428 -198.762 194.489 183.037 194.489 -175.523 GPRESSURE: 3086200 -192.447 -55.7704 126.595 -33.7307 -186.069 201.355 205.495 223.545 -147.957 PRESSAVG: 3086200 64.2183 -42.9712 10.3504 -42.9712 -53.9949 33.9266 10.3503 33.9265 -35.7921 GPRESSAVG: 3086200 64.7065 -42.8713 11.1156 -42.4944 -54.5543 33.1563 10.5865 35.2101 -35.624 TIMING: 3086200 CPU: 8944.19, 0.00288496/step Wall: 8944.19, 0.00288496/step, 1.53368 hours remaining, 209.562500 MB of memory in use. ENERGY: 3086200 757.3105 2107.2339 1930.0105 116.5855 -205767.4710 17737.7584 0.0000 0.0000 34119.9575 -148998.6147 297.9781 -183118.5721 -148905.7556 299.6138 -212.4100 -175.4910 559133.8586 -8.5229 -8.4906 PRESSURE: 3086400 -103.265 33.9051 -123.661 33.9066 63.8342 64.3696 -123.662 64.3692 151.082 GPRESSURE: 3086400 -66.889 -11.974 -209.513 36.3884 50.5578 77.8423 -3.81144 101.956 225.806 PRESSAVG: 3086400 41.6197 -0.817454 -5.19241 -0.817473 -23.7739 36.0357 -5.19256 36.0357 -23.1232 GPRESSAVG: 3086400 42.806 -1.09821 -7.74021 -1.61204 -23.8008 36.0298 -4.19714 36.8188 -24.8524 TIMING: 3086400 CPU: 8944.77, 0.00287485/step Wall: 8944.77, 0.00287485/step, 1.52814 hours remaining, 209.562500 MB of memory in use. ENERGY: 3086400 716.9328 2087.7446 1943.6962 119.8850 -206390.9652 17959.3751 0.0000 0.0000 34374.8032 -149188.5282 300.2037 -183563.3314 -149090.9745 299.6282 37.2170 69.8249 558819.4821 -1.7591 -1.9491 PRESSURE: 3086600 -34.791 116.804 -140.618 116.804 304.189 -102.601 -140.618 -102.603 -1.97175 GPRESSURE: 3086600 -7.97729 103.331 -78.2146 75.8635 352.611 -68.3096 -123.652 -122.95 32.1706 PRESSAVG: 3086600 61.092 -5.07969 -34.1622 -5.07964 -10.4654 -0.645912 -34.1622 -0.645914 -37.7391 GPRESSAVG: 3086600 61.9195 -3.57792 -31.4575 -4.17281 -10.7676 -1.68307 -33.7133 0.621438 -39.0584 TIMING: 3086600 CPU: 8945.35, 0.00291153/step Wall: 8945.35, 0.00291153/step, 1.54748 hours remaining, 209.562500 MB of memory in use. ENERGY: 3086600 737.8794 2095.5292 2002.1245 102.6966 -206423.4100 17808.5642 0.0000 0.0000 34547.5484 -149129.0676 301.7123 -183676.6160 -149031.3063 299.3073 89.1420 125.6016 556079.2894 4.2958 4.0312 PRESSURE: 3086800 -163.16 -13.954 74.0937 -13.9524 -10.9126 -63.4426 74.0943 -63.4427 -123.748 GPRESSURE: 3086800 -151.905 -70.4139 42.7274 97.4552 32.8019 -99.7895 117.795 -88.1653 -78.6458 PRESSAVG: 3086800 -12.3775 9.4482 8.59759 9.44805 -38.8458 -32.0827 8.5975 -32.0827 35.4989 GPRESSAVG: 3086800 -14.5717 8.62957 8.9429 9.34496 -38.2677 -30.5923 8.08746 -33.6821 36.7607 TIMING: 3086800 CPU: 8945.93, 0.00291347/step Wall: 8945.93, 0.00291347/step, 1.54834 hours remaining, 209.562500 MB of memory in use. ENERGY: 3086800 760.8084 2124.0983 1959.6626 101.2207 -205981.0951 17698.3544 0.0000 0.0000 34309.6144 -149027.3363 299.6344 -183336.9508 -148926.2118 300.2019 -99.2735 -65.9163 557859.3763 -5.2415 -5.3596 PRESSURE: 3087000 60.6564 -16.08 163.391 -16.0796 -179.503 46.4012 163.391 46.3998 -91.697 GPRESSURE: 3087000 102.62 -97.906 171.738 12.596 -132.606 84.4042 128.879 38.05 -78.2662 PRESSAVG: 3087000 52.0817 16.4381 30.2491 16.4381 6.43871 -46.77 30.2492 -46.7699 11.5431 GPRESSAVG: 3087000 52.532 16.4735 30.7298 15.8292 5.93932 -46.8508 28.664 -48.8359 11.5267 TIMING: 3087000 CPU: 8946.51, 0.00289149/step Wall: 8946.51, 0.0028915/step, 1.53651 hours remaining, 209.562500 MB of memory in use. ENERGY: 3087000 749.5029 2077.4975 1929.9026 115.0069 -205584.0095 17611.0970 0.0000 0.0000 34135.4960 -148965.5066 298.1138 -183101.0026 -148866.1554 299.5049 -70.1811 -36.0840 557368.7551 23.3545 23.3327 PRESSURE: 3087200 83.6629 -20.7286 156.209 -20.729 224.504 56.7444 156.209 56.7442 -231.239 GPRESSURE: 3087200 112.329 -69.5809 255.318 51.0225 255.935 100.762 90.7054 55.2136 -189.033 PRESSAVG: 3087200 51.1756 -17.8935 18.4944 -17.8935 -3.09823 9.22321 18.4944 9.22314 -33.4969 GPRESSAVG: 3087200 50.2517 -17.4293 18.7846 -18.2933 -3.01126 10.6016 17.8957 10.0223 -32.7793 TIMING: 3087200 CPU: 8947.09, 0.00288309/step Wall: 8947.09, 0.00288309/step, 1.53188 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087200 742.5326 2064.5310 1942.3672 118.5192 -206177.1388 17946.0737 0.0000 0.0000 34262.3967 -149100.7183 299.2220 -183363.1150 -149010.9574 299.1756 25.6427 59.7433 557167.9382 4.8602 4.8204 PRESSURE: 3087400 103.727 -18.556 -14.9603 -18.5559 -72.6683 -52.0853 -14.9605 -52.0861 -251.247 GPRESSURE: 3087400 140.012 -16.3966 -24.6253 19.8132 -57.8647 -71.3993 20.9253 -74.9193 -215.747 PRESSAVG: 3087400 34.6075 -35.5495 35.829 -35.5495 -36.2462 12.9238 35.8291 12.9237 -7.57818 GPRESSAVG: 3087400 35.536 -35.6514 35.5466 -33.7581 -36.9226 9.21869 35.2274 15.3026 -7.55127 TIMING: 3087400 CPU: 8947.66, 0.00286777/step Wall: 8947.66, 0.00286777/step, 1.52358 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087400 729.1681 2085.2998 1959.5618 111.2995 -205692.6672 17612.2122 0.0000 0.0000 34207.0598 -148988.0658 298.7388 -183195.1256 -148887.2748 299.3303 -73.3960 -44.5332 558286.6712 -3.0723 -2.9793 PRESSURE: 3087600 -194.997 81.5635 2.83501 81.5653 -31.4282 60.3954 2.83554 60.3951 -58.2538 GPRESSURE: 3087600 -127.131 122.207 -49.8916 107.375 -39.3219 143.118 6.59441 47.5217 -18.5896 PRESSAVG: 3087600 32.9542 20.3787 7.07622 20.3787 3.02598 21.2089 7.07624 21.2089 -5.27943 GPRESSAVG: 3087600 32.2584 20.8943 6.66165 17.6973 4.09998 23.335 8.64941 20.669 -6.29797 TIMING: 3087600 CPU: 8948.24, 0.002887/step Wall: 8948.24, 0.002887/step, 1.53364 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087600 741.2417 2058.6898 1960.3623 104.6035 -205866.1907 17652.7166 0.0000 0.0000 34444.0269 -148904.5499 300.8083 -183348.5768 -148809.6950 299.9112 -94.8932 -61.6809 558628.4069 10.2336 10.0201 PRESSURE: 3087800 119.717 92.8832 61.7442 92.8835 143.375 273.952 61.7436 273.953 -157.878 GPRESSURE: 3087800 137.065 156.296 45.039 31.7378 176.358 232.725 24.4019 278.692 -123.083 PRESSAVG: 3087800 27.8697 -43.3142 36.9819 -43.3142 -21.9847 49.8454 36.9819 49.8455 -16.266 GPRESSAVG: 3087800 29.3494 -44.7409 37.0889 -43.2897 -22.1417 50.0453 36.3925 49.4013 -17.5759 TIMING: 3087800 CPU: 8948.82, 0.00290034/step Wall: 8948.82, 0.00290034/step, 1.54057 hours remaining, 209.593750 MB of memory in use. ENERGY: 3087800 740.8242 2082.2461 1969.3107 113.8406 -206076.1672 17869.1897 0.0000 0.0000 34482.2910 -148818.4649 301.1424 -183300.7559 -148718.7424 300.2720 35.0711 63.4470 557876.5414 -3.4603 -3.4560 PRESSURE: 3088000 30.2194 -28.8999 -17.6477 -28.901 91.5382 -24.3069 -17.6491 -24.3044 -174.208 GPRESSURE: 3088000 -8.38457 -112.648 -32.0066 -66.2527 113.327 -54.9129 0.728307 -42.5325 -42.4808 PRESSAVG: 3088000 112.56 -24.2744 -34.221 -24.2744 -68.2903 81.0724 -34.221 81.0723 11.6147 GPRESSAVG: 3088000 111.438 -23.067 -35.1985 -24.6728 -67.5712 80.1672 -32.8239 81.3944 11.8038 TIMING: 3088000 CPU: 8949.39, 0.00288793/step Wall: 8949.39, 0.00288793/step, 1.53381 hours remaining, 209.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3088000 739.1707 2076.7975 1962.9357 113.6155 -205690.2394 17509.5222 0.0000 0.0000 34244.9766 -149043.2210 299.0699 -183288.1976 -148947.5114 300.3461 -17.4834 20.8206 557014.4615 18.6280 18.5568 PRESSURE: 3088200 -205.856 -60.9835 -145.754 -60.9824 -300.198 -16.8465 -145.753 -16.8466 -93.3092 GPRESSURE: 3088200 -189.734 42.679 -133.446 -147.894 -276.051 -75.9415 -163.033 77.7846 -50.7438 PRESSAVG: 3088200 13.8473 -50.9581 -23.8952 -50.958 -51.6445 10.2518 -23.8952 10.2517 41.2867 GPRESSAVG: 3088200 14.1406 -47.8633 -23.8208 -52.2058 -52.7346 12.8325 -24.3191 8.83396 41.9946 TIMING: 3088200 CPU: 8949.97, 0.00288033/step Wall: 8949.97, 0.00288033/step, 1.52961 hours remaining, 209.593750 MB of memory in use. ENERGY: 3088200 779.1119 2084.2656 1941.6156 108.3367 -205589.4057 17422.7731 0.0000 0.0000 34211.5326 -149041.7702 298.7778 -183253.3027 -148947.3331 299.4156 -199.7876 -172.1760 556698.7037 1.1631 1.1335 LDB: ============= START OF LOAD BALANCING ============== 8953.35 LDB: ============== END OF LOAD BALANCING =============== 8953.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8953.36 LDB: ============= START OF LOAD BALANCING ============== 8953.64 LDB: Largest compute 4800 load 0.025741 is 21.8% of average load 0.117983 LDB: Average compute 0.001740 is 1.5% of average load 0.117983 LDB: TIME 8953.65 LOAD: AVG 0.117983 MAX 0.179759 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.551 MB LDB: TIME 8953.65 LOAD: AVG 0.117983 MAX 0.179759 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.809 MB LDB: TIME 8953.65 LOAD: AVG 0.117983 MAX 0.179759 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8953.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8953.65 PRESSURE: 3088400 -101.299 13.5255 38.3256 13.5251 16.3518 161.087 38.3256 161.087 -17.4352 GPRESSURE: 3088400 -51.3215 -6.45775 67.2526 50.2202 92.517 159.701 77.0515 228.948 -28.3775 PRESSAVG: 3088400 -14.2081 -14.0189 -48.296 -14.0189 -35.9898 47.4828 -48.296 47.4828 68.0552 GPRESSAVG: 3088400 -13.8634 -16.4174 -48.6718 -11.8968 -35.9561 44.507 -47.0337 50.2392 66.8523 TIMING: 3088400 CPU: 8950.56, 0.00293564/step Wall: 8950.56, 0.00293564/step, 1.55882 hours remaining, 208.527344 MB of memory in use. ENERGY: 3088400 732.6682 2002.7834 1965.8408 117.1702 -206283.9872 17921.6045 0.0000 0.0000 34259.9354 -149283.9848 299.2005 -183543.9202 -149189.2463 299.0521 -34.1273 4.2727 556562.0692 5.9524 5.6776 PRESSURE: 3088600 -162.445 -90.3919 161.756 -90.3913 -180.412 -45.9293 161.756 -45.931 7.99973 GPRESSURE: 3088600 -87.0401 15.2754 222.749 -125.77 -180.433 -43.648 81.3611 2.43243 28.8455 PRESSAVG: 3088600 -3.52597 -19.0498 26.1693 -19.0499 -54.7469 21.9234 26.1693 21.9234 107.128 GPRESSAVG: 3088600 -2.89994 -17.0225 27.8017 -20.4608 -55.4448 24.4462 24.3835 20.0969 106.945 TIMING: 3088600 CPU: 8951.13, 0.0028699/step Wall: 8951.13, 0.0028699/step, 1.52376 hours remaining, 208.527344 MB of memory in use. ENERGY: 3088600 731.4511 2087.7777 1963.4166 121.7246 -205920.7553 17622.3845 0.0000 0.0000 34124.0809 -149269.9198 298.0141 -183394.0007 -149168.6526 298.5800 -111.6191 -79.5426 557613.8230 16.2850 16.2002 PRESSURE: 3088800 236.09 39.6078 95.919 39.608 -78.5846 38.9867 95.9189 38.9853 -13.8499 GPRESSURE: 3088800 266.731 -43.7489 48.2942 -29.3029 -59.0727 26.3697 76.6473 4.87937 30.3885 PRESSAVG: 3088800 1.24075 -22.9471 -30.1823 -22.9472 -19.9575 53.3135 -30.1822 53.3135 -14.1899 GPRESSAVG: 3088800 1.72537 -26.0882 -31.7029 -20.8931 -18.9413 51.5131 -30.2789 54.6411 -15.262 TIMING: 3088800 CPU: 8951.71, 0.0028808/step Wall: 8951.71, 0.0028808/step, 1.52938 hours remaining, 208.527344 MB of memory in use. ENERGY: 3088800 711.3978 2055.8231 1956.3350 102.9552 -206367.0092 17889.0692 0.0000 0.0000 34419.8119 -149231.6169 300.5968 -183651.4288 -149127.2071 299.5226 47.8850 79.3489 556650.8959 -10.9689 -10.8260 PRESSURE: 3089000 65.7999 -5.18579 113.936 -5.18629 36.7617 136.183 113.937 136.18 116.989 GPRESSURE: 3089000 117.656 62.2275 75.0453 -37.2369 57.2924 161.696 121.067 191.327 152.499 PRESSAVG: 3089000 54.7735 29.9758 62.9698 29.9758 -5.33384 49.3886 62.9697 49.3885 -13.7811 GPRESSAVG: 3089000 53.1777 30.5095 63.6673 27.8376 -5.26995 49.9092 61.808 48.7319 -12.9367 TIMING: 3089000 CPU: 8952.29, 0.00289198/step Wall: 8952.29, 0.00289198/step, 1.53516 hours remaining, 208.527344 MB of memory in use. ENERGY: 3089000 757.0933 2039.3577 1953.3498 111.8137 -206247.3638 17761.0689 0.0000 0.0000 34377.4437 -149247.2368 300.2268 -183624.6805 -149141.2477 299.3136 73.1836 109.1490 557293.9106 11.8862 11.6570 PRESSURE: 3089200 17.1402 2.42005 -108.817 2.42083 1.47325 149.187 -108.816 149.186 113.853 GPRESSURE: 3089200 2.45242 -39.0706 -42.383 -34.7392 74.8766 109.589 -120.193 199.894 149.045 PRESSAVG: 3089200 -3.54894 5.83703 -16.5198 5.83702 12.3365 23.2324 -16.5197 23.2323 -43.6228 GPRESSAVG: 3089200 -3.20163 7.29002 -16.1711 5.84864 12.6891 23.889 -15.5206 22.9081 -43.9671 TIMING: 3089200 CPU: 8952.86, 0.00287793/step Wall: 8952.86, 0.00287793/step, 1.52754 hours remaining, 208.730469 MB of memory in use. ENERGY: 3089200 762.2981 2086.8299 1989.7236 103.9191 -206175.5010 17845.7997 0.0000 0.0000 34237.2072 -149149.7233 299.0020 -183386.9305 -149052.2627 299.5307 44.1556 75.4581 557823.2233 -11.6117 -11.4932 PRESSURE: 3089400 -457.581 -32.4998 168.174 -32.4995 45.1165 104.781 168.175 104.782 -56.1522 GPRESSURE: 3089400 -454.095 -67.7633 221.768 -90.2805 55.4704 107.844 183.68 53.2847 34.0899 PRESSAVG: 3089400 -37.5997 37.9778 -5.32495 37.9777 89.4238 24.8001 -5.32487 24.8 -37.1032 GPRESSAVG: 3089400 -38.4515 35.3428 -5.32514 37.9937 89.6524 23.3299 -7.93653 23.7334 -36.5802 TIMING: 3089400 CPU: 8953.44, 0.00288288/step Wall: 8953.44, 0.00288288/step, 1.53001 hours remaining, 208.730469 MB of memory in use. ENERGY: 3089400 732.8878 2035.0517 1931.6225 129.1689 -206078.0197 17550.5607 0.0000 0.0000 34465.7230 -149233.0051 300.9977 -183698.7281 -149139.3493 299.6602 -156.2057 -121.5116 556919.4415 4.9069 4.8736 PRESSURE: 3089600 117.192 46.8205 -122.659 46.8209 44.4561 -23.1924 -122.658 -23.1919 -14.714 GPRESSURE: 3089600 178.088 96.0234 -79.5884 71.0143 63.9541 -68.4653 -141.657 -2.91685 -7.74747 PRESSAVG: 3089600 -28.1631 -8.7229 2.62374 -8.7229 8.93759 10.1103 2.6238 10.1102 11.057 GPRESSAVG: 3089600 -27.1797 -6.52377 1.23657 -8.80003 7.9504 10.0471 5.54611 12.3186 11.1558 TIMING: 3089600 CPU: 8954.02, 0.00289472/step Wall: 8954.02, 0.00289472/step, 1.53613 hours remaining, 208.730469 MB of memory in use. ENERGY: 3089600 730.9582 2059.0783 1983.3819 114.0418 -205780.9546 17724.9377 0.0000 0.0000 34133.9055 -149034.6511 298.0999 -183168.5566 -148939.5246 300.0028 48.9780 78.0981 557773.5079 -2.7228 -2.6912 PRESSURE: 3089800 -181.928 -0.679224 -65.0855 -0.679087 166.743 20.4591 -65.0857 20.4611 69.2646 GPRESSURE: 3089800 -95.8521 25.0492 -124.667 -2.13069 171.886 -59.9226 -62.0327 56.3269 76.1749 PRESSAVG: 3089800 -22.0559 21.0348 -14.8076 21.0348 56.4615 -10.8319 -14.8077 -10.8319 -43.6565 GPRESSAVG: 3089800 -21.7473 19.3649 -14.3077 22.1697 56.5649 -11.6298 -15.0932 -11.1614 -44.0435 TIMING: 3089800 CPU: 8954.6, 0.00289232/step Wall: 8954.6, 0.00289232/step, 1.5347 hours remaining, 208.738281 MB of memory in use. ENERGY: 3089800 720.5261 2091.8976 1948.7809 110.7020 -205790.3927 17724.1451 0.0000 0.0000 34236.9952 -148957.3458 299.0002 -183194.3410 -148866.0841 299.8512 18.0264 50.7363 557796.5783 -3.0836 -3.0753 PRESSURE: 3090000 -248.893 -35.6511 -1.92627 -35.6504 95.9848 -61.224 -1.92716 -61.2236 54.7549 GPRESSURE: 3090000 -168.024 -43.6295 -19.4459 -28.6282 86.6648 -12.4223 43.7925 -80.6584 71.1249 PRESSAVG: 3090000 -60.4241 -7.70018 -12.3608 -7.70016 7.33348 -57.633 -12.3608 -57.6329 88.8849 GPRESSAVG: 3090000 -60.5598 -7.50323 -11.1813 -8.26891 7.18049 -55.4577 -13.7601 -59.2414 89.1576 TIMING: 3090000 CPU: 8955.18, 0.0029087/step Wall: 8955.18, 0.0029087/step, 1.54323 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3090000 761.2943 2137.1799 1952.7924 110.4488 -206006.3955 17835.7500 0.0000 0.0000 34471.2390 -148737.6910 301.0459 -183208.9300 -148647.5522 300.5240 -32.7176 -3.4116 559374.3246 11.9314 11.9261 PRESSURE: 3090200 -55.1624 -128.666 33.0525 -128.665 -296.633 -114.983 33.0525 -114.981 -76.5595 GPRESSURE: 3090200 37.5615 -121.927 49.2924 -207.064 -263.617 -87.0293 48.0597 -85.6153 -92.116 PRESSAVG: 3090200 70.5565 -43.7393 -8.96834 -43.7392 -43.6059 -21.9288 -8.96825 -21.9287 2.82855 GPRESSAVG: 3090200 70.3801 -41.996 -10.2318 -44.6902 -43.0642 -20.8849 -7.5559 -22.8472 2.44435 TIMING: 3090200 CPU: 8955.76, 0.00291126/step Wall: 8955.76, 0.00291126/step, 1.54442 hours remaining, 208.738281 MB of memory in use. ENERGY: 3090200 747.1802 2066.2265 1963.4083 108.9358 -205768.6461 17586.6566 0.0000 0.0000 34447.4992 -148848.7395 300.8386 -183296.2388 -148744.7524 300.2295 -142.7851 -106.0570 558709.1892 9.9264 9.9201 PRESSURE: 3090400 31.7158 42.8631 -126.951 42.8636 -31.5002 -44.9345 -126.95 -44.9338 -205.233 GPRESSURE: 3090400 38.626 2.05743 -63.7178 10.3867 37.0462 -48.4128 -183.424 -61.4621 -180.606 PRESSAVG: 3090400 29.2101 -28.402 7.1131 -28.4019 -31.2975 -37.497 7.11311 -37.497 2.83439 GPRESSAVG: 3090400 29.2183 -31.69 6.79748 -27.7583 -31.5934 -40.6172 7.48386 -36.0191 3.50194 TIMING: 3090400 CPU: 8956.34, 0.00289187/step Wall: 8956.34, 0.00289187/step, 1.53397 hours remaining, 208.738281 MB of memory in use. ENERGY: 3090400 751.1181 2086.3351 1993.0464 114.2639 -205778.8103 17703.3109 0.0000 0.0000 34360.4623 -148770.2736 300.0785 -183130.7359 -148677.3341 300.0458 -68.3390 -34.9781 559543.2947 0.2490 0.3756 PRESSURE: 3090600 70.1874 164.03 -91.8516 164.03 -115.22 62.2104 -91.8513 62.2107 -185.71 GPRESSURE: 3090600 121.941 214.791 -126.35 179.234 -69.7228 32.5439 -116.443 30.8688 -188.155 PRESSAVG: 3090600 41.8198 14.5588 -20.1064 14.5588 1.97321 -29.4377 -20.1063 -29.4377 16.1489 GPRESSAVG: 3090600 41.4197 15.1436 -19.5044 15.044 2.56992 -27.6254 -21.1918 -29.0718 15.2243 TIMING: 3090600 CPU: 8956.92, 0.00289262/step Wall: 8956.92, 0.00289262/step, 1.53421 hours remaining, 208.738281 MB of memory in use. ENERGY: 3090600 746.8294 2187.6894 1967.3088 118.0291 -205687.8668 17685.3387 0.0000 0.0000 34267.8004 -148714.8711 299.2692 -182982.6715 -148618.6957 300.6893 -76.9142 -45.3121 559637.5417 19.9806 19.7380 PRESSURE: 3090800 2.90878 -133.58 -61.9047 -133.58 -201.124 -29.7063 -61.9034 -29.7061 86.9097 GPRESSURE: 3090800 57.3279 -102.915 -23.6876 -153.296 -191.044 -130.109 -117.518 9.10278 121.067 PRESSAVG: 3090800 -9.19334 -13.9116 -65.0727 -13.9116 -3.00172 2.33942 -65.0728 2.33931 -26.5159 GPRESSAVG: 3090800 -8.99867 -13.0644 -65.9645 -12.4685 -3.44358 -0.247809 -65.1343 4.49376 -26.0438 TIMING: 3090800 CPU: 8957.5, 0.00293647/step Wall: 8957.5, 0.00293647/step, 1.55731 hours remaining, 208.738281 MB of memory in use. ENERGY: 3090800 749.8648 2086.2072 1941.6854 111.7296 -205821.5713 17788.0047 0.0000 0.0000 34268.6619 -148875.4176 299.2767 -183144.0795 -148781.3449 300.0029 -37.1019 -4.2162 558577.3087 -12.9037 -12.8287 PRESSURE: 3091000 -0.995126 106.315 -49.1583 106.314 226.741 168.228 -49.1578 168.228 -109.982 GPRESSURE: 3091000 38.7518 117.891 47.6893 60.7964 240.927 168.377 -97.5484 183.779 -66.3228 PRESSAVG: 3091000 0.738638 8.59775 -52.8371 8.59778 33.7858 -16.9958 -52.8371 -16.9956 -22.1426 GPRESSAVG: 3091000 1.32176 9.94307 -51.2612 6.66711 32.1083 -16.193 -52.241 -18.9723 -21.204 TIMING: 3091000 CPU: 8958.09, 0.00290949/step Wall: 8958.09, 0.00290949/step, 1.54284 hours remaining, 208.738281 MB of memory in use. ENERGY: 3091000 709.4000 2139.0686 1955.6925 96.3928 -205811.1867 17790.6754 0.0000 0.0000 34281.6565 -148838.3010 299.3902 -183119.9575 -148744.7869 299.9038 38.5879 71.1186 558111.6554 4.1273 4.0753 PRESSURE: 3091200 -63.472 -38.5153 -52.8016 -38.5153 64.7342 -50.3196 -52.8021 -50.3189 329.875 GPRESSURE: 3091200 7.85253 -23.6336 23.1245 1.8618 83.3463 -76.409 -112.697 -6.79941 332.728 PRESSAVG: 3091200 -32.6611 15.9042 -26.1312 15.9042 8.99641 -73.3819 -26.1311 -73.3819 29.8746 GPRESSAVG: 3091200 -32.7402 15.2201 -25.5301 15.1446 9.49347 -73.7129 -29.1698 -72.0115 29.4451 TIMING: 3091200 CPU: 8958.66, 0.0028806/step Wall: 8958.66, 0.0028806/step, 1.52736 hours remaining, 208.738281 MB of memory in use. ENERGY: 3091200 698.5724 2046.8880 1919.2346 107.2168 -205789.6912 17817.2731 0.0000 0.0000 34319.1571 -148881.3492 299.7177 -183200.5063 -148790.9840 299.8172 110.3791 141.3090 557562.9299 2.0700 2.0661 PRESSURE: 3091400 -244.39 67.6538 66.4204 67.6549 159.501 -8.16896 66.4197 -8.16752 212.823 GPRESSURE: 3091400 -172.286 116.713 48.9879 88.6912 101.487 -49.5751 163.577 -32.9988 298.102 PRESSAVG: 3091400 -60.135 34.667 -11.7668 34.667 11.7603 28.9673 -11.7668 28.9673 69.7684 GPRESSAVG: 3091400 -60.8504 32.539 -11.4312 35.7978 13.6254 29.6721 -9.76399 26.746 69.0189 TIMING: 3091400 CPU: 8959.24, 0.0029002/step Wall: 8959.24, 0.0029002/step, 1.53759 hours remaining, 208.738281 MB of memory in use. ENERGY: 3091400 728.4389 2107.8588 1961.5706 99.7787 -205952.1994 17725.0325 0.0000 0.0000 34414.3111 -148915.2089 300.5487 -183329.5200 -148819.3910 300.2903 42.6446 75.7678 558139.8805 7.1312 7.2646 PRESSURE: 3091600 102.923 104.775 -72.4375 104.775 -48.4922 -102.616 -72.4366 -102.614 309.495 GPRESSURE: 3091600 100.132 -11.919 -71.2956 173.538 19.2497 -88.0973 -60.4453 -121.769 351.849 PRESSAVG: 3091600 -60.6889 -4.39988 -8.58331 -4.39991 22.8642 31.7617 -8.58325 31.7618 53.5521 GPRESSAVG: 3091600 -59.7863 -2.90283 -8.34897 -5.29725 21.9072 32.2137 -9.05769 33.3657 54.5436 TIMING: 3091600 CPU: 8959.82, 0.0028993/step Wall: 8959.82, 0.0028993/step, 1.53695 hours remaining, 208.738281 MB of memory in use. ENERGY: 3091600 741.3137 2054.0952 1965.6489 123.1811 -206298.8600 18081.2743 0.0000 0.0000 34354.9637 -148978.3830 300.0304 -183333.3467 -148878.1571 299.4119 121.3089 157.0769 556641.0345 5.2425 5.5548 PRESSURE: 3091800 -294.699 54.252 90.4351 54.251 -105.872 109.179 90.434 109.178 -277.962 GPRESSURE: 3091800 -262.781 -6.57349 101.111 89.7022 -95.0953 57.9636 101.318 164.657 -222.428 PRESSAVG: 3091800 65.8636 14.099 18.8014 14.099 -62.524 25.6535 18.8015 25.6535 1.52705 GPRESSAVG: 3091800 64.5366 15.2034 19.5924 13.8079 -61.1267 23.7708 17.565 25.6604 1.78323 TIMING: 3091800 CPU: 8960.4, 0.00290021/step Wall: 8960.4, 0.00290021/step, 1.53727 hours remaining, 208.738281 MB of memory in use. ENERGY: 3091800 726.7922 2075.0812 1979.4231 119.0911 -205979.3092 17582.0217 0.0000 0.0000 34435.8633 -149061.0364 300.7370 -183496.8997 -148958.9339 299.4043 -226.1778 -193.4347 557653.8399 1.6222 1.7310 PRESSURE: 3092000 97.9086 -13.6503 -98.4898 -13.6505 162.077 75.6766 -98.4913 75.6776 8.22593 GPRESSURE: 3092000 141.357 -47.3394 -111.239 40.9165 174.996 91.4811 -24.246 -21.8825 54.4989 PRESSAVG: 3092000 54.38 12.9482 -6.83832 12.9481 14.9597 4.34561 -6.83832 4.34555 -20.1015 GPRESSAVG: 3092000 55.8218 11.4264 -8.08884 14.6462 14.514 4.02773 -5.81128 4.23213 -20.6088 TIMING: 3092000 CPU: 8960.98, 0.00290578/step Wall: 8960.98, 0.00290578/step, 1.54007 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3092000 733.1847 2030.1003 1963.1779 107.8171 -205872.6581 17769.9165 0.0000 0.0000 34220.0342 -149048.4274 298.8521 -183268.4615 -148946.8545 299.9913 89.4040 123.6174 557715.9123 16.4127 16.5757 PRESSURE: 3092200 -172.73 35.902 0.77144 35.9024 -190.917 48.8269 0.771292 48.8262 -90.6039 GPRESSURE: 3092200 -90.3397 48.5157 56.2438 -46.0598 -205.977 60.469 -28.473 20.5201 -50.8758 PRESSAVG: 3092200 -6.30188 10.5608 -11.5144 10.5607 -18.6513 -8.41083 -11.5143 -8.41084 63.1463 GPRESSAVG: 3092200 -5.92142 11.8467 -12.7135 11.7984 -19.6463 -6.62453 -9.87153 -8.88861 63.2767 TIMING: 3092200 CPU: 8961.57, 0.00293342/step Wall: 8961.57, 0.00293342/step, 1.55455 hours remaining, 208.738281 MB of memory in use. ENERGY: 3092200 710.5604 2134.1799 1963.1176 105.8134 -205762.7345 17476.2415 0.0000 0.0000 34336.8706 -149035.9512 299.8724 -183372.8217 -148938.3850 300.1419 -151.4170 -115.7307 558118.1177 12.7310 12.5697 LDB: ============= START OF LOAD BALANCING ============== 8964.96 LDB: ============== END OF LOAD BALANCING =============== 8964.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8964.96 LDB: ============= START OF LOAD BALANCING ============== 8965.25 LDB: Largest compute 4801 load 0.025058 is 21.2% of average load 0.118018 LDB: Average compute 0.001734 is 1.5% of average load 0.118018 LDB: TIME 8965.25 LOAD: AVG 0.118018 MAX 0.177441 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 8965.25 LOAD: AVG 0.118018 MAX 0.177441 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 8965.25 LOAD: AVG 0.118018 MAX 0.177441 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: ============== END OF LOAD BALANCING =============== 8965.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8965.26 PRESSURE: 3092400 -300.847 94.897 -10.1919 94.8978 -203.833 105.616 -10.1916 105.616 -281.405 GPRESSURE: 3092400 -261.084 120.336 -0.170011 92.6725 -193.358 86.4414 -6.73205 70.6606 -230.631 PRESSAVG: 3092400 -16.0252 27.822 -37.9908 27.822 43.6289 5.5601 -37.9908 5.55999 -11.4809 GPRESSAVG: 3092400 -16.3837 29.2888 -36.8747 25.3668 43.8303 5.78642 -40.3624 4.29034 -10.8529 TIMING: 3092400 CPU: 8962.16, 0.00296181/step Wall: 8962.16, 0.00296181/step, 1.56943 hours remaining, 209.203125 MB of memory in use. ENERGY: 3092400 731.8756 2062.9560 1985.2015 112.1583 -205765.7169 17489.3093 0.0000 0.0000 34179.0006 -149205.2155 298.4937 -183384.2161 -149110.6192 299.6206 -262.0281 -228.3577 558188.9441 5.3743 5.5313 PRESSURE: 3092600 -111.411 -132.553 -13.1825 -132.553 284.416 -2.21743 -13.1826 -2.21862 271.295 GPRESSURE: 3092600 -104.107 -135.119 -15.8058 -109.666 306.061 -63.7359 3.12993 31.2147 336.876 PRESSAVG: 3092600 11.9824 -2.4733 -83.1762 -2.47333 -31.3057 -7.54832 -83.1762 -7.5483 29.6931 GPRESSAVG: 3092600 11.3385 -3.44399 -83.4266 -0.108328 -30.3414 -9.06633 -82.2023 -6.55231 29.0736 TIMING: 3092600 CPU: 8962.74, 0.0028971/step Wall: 8962.74, 0.0028971/step, 1.53498 hours remaining, 209.312500 MB of memory in use. ENERGY: 3092600 713.0167 2086.2904 1955.6372 115.7388 -206289.0958 17839.8496 0.0000 0.0000 34204.1281 -149374.4349 298.7132 -183578.5631 -149279.2581 298.7528 148.1001 179.6099 555993.5157 3.4566 3.3569 PRESSURE: 3092800 -20.8651 62.4615 8.67612 62.4613 65.1155 126.436 8.67663 126.435 -137.674 GPRESSURE: 3092800 -38.4589 94.4556 -46.7939 -26.2711 77.0409 59.8444 40.4106 115.241 -41.3554 PRESSAVG: 3092800 4.14021 -18.5389 -13.2854 -18.539 30.3167 19.7882 -13.2854 19.7882 13.3427 GPRESSAVG: 3092800 3.516 -17.4432 -11.169 -19.5033 30.1079 22.0695 -14.892 19.4676 13.676 TIMING: 3092800 CPU: 8963.32, 0.00290291/step Wall: 8963.32, 0.00290291/step, 1.5379 hours remaining, 209.312500 MB of memory in use. ENERGY: 3092800 727.8335 2051.6502 1985.8422 106.2869 -206366.3091 17844.5036 0.0000 0.0000 34373.7775 -149276.4152 300.1947 -183650.1927 -149182.4440 299.3085 -31.1413 -0.9245 557017.7182 15.9332 15.7666 PRESSURE: 3093000 141.164 8.0737 -86.6651 8.07344 -62.9408 -40.7294 -86.6656 -40.7299 -115.99 GPRESSURE: 3093000 155.031 -29.7089 -53.8451 -35.4759 -57.1061 -29.8401 -103.093 -80.7118 -36.6492 PRESSAVG: 3093000 -28.966 -7.86869 23.441 -7.86871 4.92424 -30.5861 23.441 -30.5862 0.634718 GPRESSAVG: 3093000 -28.1676 -8.42042 22.6389 -6.87478 3.93602 -33.1531 24.1225 -29.3277 0.819564 TIMING: 3093000 CPU: 8963.9, 0.00290655/step Wall: 8963.9, 0.00290655/step, 1.53966 hours remaining, 209.312500 MB of memory in use. ENERGY: 3093000 772.5345 2110.4341 1963.5254 121.6315 -206347.4868 18022.1298 0.0000 0.0000 34139.2322 -149217.9993 298.1464 -183357.2315 -149120.2884 299.6812 -12.5891 20.4254 556951.6960 -7.8023 -7.8040 PRESSURE: 3093200 -152.08 -167.858 33.8634 -167.857 -46.9753 -20.0665 33.8632 -20.0656 -70.3435 GPRESSURE: 3093200 -115.351 -93.6988 62.198 -159.306 -19.1999 -63.5127 -113.726 -38.1083 -44.1153 PRESSAVG: 3093200 -1.41324 -15.8009 15.4904 -15.801 14.0008 11.1651 15.4904 11.165 36.2423 GPRESSAVG: 3093200 -1.26952 -16.291 15.9504 -16.4849 13.613 11.4784 15.6618 9.57281 36.3813 TIMING: 3093200 CPU: 8964.48, 0.00290374/step Wall: 8964.48, 0.00290374/step, 1.53802 hours remaining, 209.312500 MB of memory in use. ENERGY: 3093200 757.9252 2045.7905 1972.7521 107.3948 -206064.5593 17637.1095 0.0000 0.0000 34533.1637 -149010.4234 301.5867 -183543.5872 -148914.5298 299.2754 -89.7997 -59.5553 557057.1468 16.2766 16.2416 PRESSURE: 3093400 -145.518 143.305 16.4592 143.305 -70.0513 -111.276 16.4586 -111.276 -19.0705 GPRESSURE: 3093400 -103.176 220.539 -47.8173 168.265 -24.9277 -125.738 93.8386 -103.017 -2.23937 PRESSAVG: 3093400 -34.2303 -15.8364 -2.69726 -15.8365 11.3181 4.00038 -2.69712 4.00036 0.0163818 GPRESSAVG: 3093400 -34.1359 -14.7614 -3.95071 -15.1542 12.265 4.71818 -2.31334 5.83697 -0.453845 TIMING: 3093400 CPU: 8965.06, 0.00287902/step Wall: 8965.06, 0.00287902/step, 1.52476 hours remaining, 209.312500 MB of memory in use. ENERGY: 3093400 756.3231 2077.9017 1940.3671 110.3414 -206016.2112 17733.9669 0.0000 0.0000 34297.8851 -149099.4260 299.5320 -183397.3111 -149001.9822 300.2646 -78.2134 -43.4478 556865.9045 -7.6319 -7.4416 PRESSURE: 3093600 -95.1533 67.242 5.42757 67.2427 -131.967 94.7858 5.4275 94.7856 -13.3934 GPRESSURE: 3093600 -77.8219 77.6989 -46.7231 97.6288 -84.1311 -9.83087 -62.4483 36.9031 17.0927 PRESSAVG: 3093600 -27.8088 32.4585 27.0082 32.4585 0.555454 -24.9889 27.0081 -24.989 48.1594 GPRESSAVG: 3093600 -27.2191 30.8015 25.5792 29.9424 1.199 -26.3766 28.0565 -24.643 46.5508 TIMING: 3093600 CPU: 8965.64, 0.00288459/step Wall: 8965.64, 0.00288459/step, 1.52755 hours remaining, 209.312500 MB of memory in use. ENERGY: 3093600 722.8976 2097.6521 1944.1024 105.2730 -206190.3684 17852.2404 0.0000 0.0000 34311.8903 -149156.3126 299.6543 -183468.2030 -149061.6714 299.7699 -80.1711 -48.2868 557235.5308 6.9687 6.8436 PRESSURE: 3093800 171.78 -16.5143 -54.0903 -16.5137 226.816 -46.5017 -54.0905 -46.5016 -241.53 GPRESSURE: 3093800 177.026 37.9269 -32.5319 24.9826 280.009 -48.4916 -0.248619 -13.1205 -204.653 PRESSAVG: 3093800 36.8801 -3.78246 32.7895 -3.78255 -69.421 -1.80058 32.7896 -1.80063 -18.614 GPRESSAVG: 3093800 35.8296 -1.4189 35.6772 -5.09566 -70.3435 0.302724 30.6808 -4.74071 -16.2012 TIMING: 3093800 CPU: 8966.22, 0.00292911/step Wall: 8966.22, 0.00292911/step, 1.55096 hours remaining, 209.312500 MB of memory in use. ENERGY: 3093800 747.7630 2058.9049 1937.6443 119.9007 -206005.8241 17824.2268 0.0000 0.0000 34170.7344 -149146.6500 298.4215 -183317.3843 -149050.3737 299.5235 52.3553 84.1275 557442.8779 -17.0516 -16.9051 PRESSURE: 3094000 -27.8862 120.087 30.8613 120.088 -45.5537 -160.878 30.862 -160.879 5.95616 GPRESSURE: 3094000 -25.1681 83.0679 117.915 99.8942 -14.1482 -241.226 -60.3136 -172.221 78.665 PRESSAVG: 3094000 18.5799 -17.341 31.3653 -17.3409 21.352 -67.2938 31.3653 -67.2937 -58.5358 GPRESSAVG: 3094000 18.9779 -17.3867 30.1563 -15.1269 22.1375 -68.6154 32.9263 -65.347 -59.4767 TIMING: 3094000 CPU: 8966.8, 0.00289944/step Wall: 8966.8, 0.00289944/step, 1.53509 hours remaining, 209.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3094000 746.9265 2055.6852 1982.7938 108.0320 -206467.3896 17957.1164 0.0000 0.0000 34425.5681 -149191.2677 300.6470 -183616.8358 -149096.4131 299.1094 -22.4945 13.1162 557487.3130 -6.2013 -6.1204 PRESSURE: 3094200 -71.7789 -49.9561 118.042 -49.9573 -334.347 90.9056 118.041 90.9051 5.89848 GPRESSURE: 3094200 4.97829 -40.7666 84.4988 -24.618 -319.479 82.9268 91.8754 77.8356 17.3002 PRESSAVG: 3094200 8.08947 -23.2136 32.2226 -23.2136 36.2276 -4.16816 32.2226 -4.16807 -25.3017 GPRESSAVG: 3094200 8.50635 -23.6245 30.8999 -23.0983 34.7435 -2.47738 31.1635 -4.88313 -24.4598 TIMING: 3094200 CPU: 8967.39, 0.002922/step Wall: 8967.39, 0.002922/step, 1.54688 hours remaining, 209.382812 MB of memory in use. ENERGY: 3094200 761.9865 2069.8138 1949.3252 118.9213 -205917.4671 17528.3954 0.0000 0.0000 34142.7492 -149346.2759 298.1771 -183489.0250 -149248.0009 299.8573 -133.4090 -99.0669 557902.0335 6.3385 6.2633 PRESSURE: 3094400 -97.9959 43.9644 -157.692 43.964 -200.263 -11.8429 -157.693 -11.8426 -119.18 GPRESSURE: 3094400 -23.5693 3.58853 -110.173 52.5238 -236.724 31.1917 -180.719 -73.3735 -41.7463 PRESSAVG: 3094400 65.2116 -44.5333 43.8067 -44.5333 -96.0247 -6.55657 43.8068 -6.55655 14.9659 GPRESSAVG: 3094400 65.0132 -43.8942 44.2788 -42.7013 -95.2896 -6.9003 46.0349 -4.51742 14.48 TIMING: 3094400 CPU: 8967.97, 0.0029068/step Wall: 8967.97, 0.0029068/step, 1.53867 hours remaining, 209.582031 MB of memory in use. ENERGY: 3094400 744.1674 2080.4815 1973.6895 131.4137 -206249.0377 17675.0595 0.0000 0.0000 34081.9708 -149562.2553 297.6463 -183644.2262 -149474.9407 298.3095 -139.1464 -100.6798 557167.6709 -5.2824 -5.2655 PRESSURE: 3094600 56.7415 204.429 -108.659 204.43 30.8422 0.650528 -108.659 0.649908 160.709 GPRESSURE: 3094600 141.033 178.335 -124.389 188.752 66.5532 -17.2882 -92.1357 -46.2719 140.818 PRESSAVG: 3094600 3.7921 -20.5055 -14.0603 -20.5054 34.0627 32.5091 -14.0602 32.5091 1.24192 GPRESSAVG: 3094600 4.15629 -21.2445 -15.1403 -20.9823 34.3137 32.8665 -15.8145 31.4882 0.811222 TIMING: 3094600 CPU: 8968.55, 0.00290168/step Wall: 8968.55, 0.00290168/step, 1.53579 hours remaining, 209.582031 MB of memory in use. ENERGY: 3094600 747.0695 2144.5983 1922.8722 108.8953 -206672.0338 18026.4573 0.0000 0.0000 34225.1130 -149497.0283 298.8964 -183722.1412 -149402.6845 298.7304 82.7641 116.1347 556892.1760 13.0322 13.0937 PRESSURE: 3094800 95.2603 -97.2273 -11.2485 -97.227 -17.6835 39.5757 -11.2496 39.5761 -106.293 GPRESSURE: 3094800 82.4618 -34.5739 -82.2039 -176.48 26.5064 135.062 43.5278 45.1458 -33.4094 PRESSAVG: 3094800 -40.879 -4.68787 25.6625 -4.68776 41.1898 -26.7705 25.6624 -26.7704 49.4268 GPRESSAVG: 3094800 -40.9765 -6.10627 25.9698 -5.1135 41.225 -27.1565 25.9668 -26.346 49.6522 TIMING: 3094800 CPU: 8969.13, 0.00289561/step Wall: 8969.13, 0.00289561/step, 1.53242 hours remaining, 209.582031 MB of memory in use. ENERGY: 3094800 695.3158 2060.0706 1948.3868 123.4386 -206176.1798 17598.5631 0.0000 0.0000 34330.2135 -149420.1915 299.8143 -183750.4050 -149319.0824 298.9518 -9.5721 25.1862 556313.7359 16.5792 16.6336 PRESSURE: 3095000 -2.38775 -68.919 71.3659 -68.9194 -168.085 116.971 71.3653 116.97 219.87 GPRESSURE: 3095000 59.4887 -77.5613 65.0909 -30.7405 -92.3339 133.122 71.9852 263.679 186.356 PRESSAVG: 3095000 0.47725 60.9229 27.6454 60.923 31.5558 6.53462 27.6455 6.53461 34.7935 GPRESSAVG: 3095000 1.20897 62.0772 28.5516 61.5102 30.2969 6.25494 28.3954 5.98189 35.4733 TIMING: 3095000 CPU: 8969.71, 0.00291578/step Wall: 8969.71, 0.00291578/step, 1.54293 hours remaining, 209.582031 MB of memory in use. ENERGY: 3095000 724.6869 2098.6679 1943.7742 110.9118 -206358.1568 17733.9053 0.0000 0.0000 34246.6096 -149499.6012 299.0842 -183746.2107 -149397.7724 298.5698 16.4659 51.1702 557879.9669 22.2755 22.3264 PRESSURE: 3095200 -305.685 -164.461 -61.0721 -164.461 -135.113 -89.7907 -61.0715 -89.7916 -116.241 GPRESSURE: 3095200 -298.546 -203.904 -22.3919 -181.479 -102.458 -81.9933 -128.864 -178.841 -59.2698 PRESSAVG: 3095200 -48.1598 -69.066 17.8238 -69.066 44.0432 -66.5322 17.8238 -66.5322 -29.7524 GPRESSAVG: 3095200 -47.9663 -70.0995 17.3995 -70.3358 44.6263 -67.5907 18.3014 -65.6835 -30.6728 TIMING: 3095200 CPU: 8970.29, 0.00290393/step Wall: 8970.29, 0.00290393/step, 1.5365 hours remaining, 209.582031 MB of memory in use. ENERGY: 3095200 739.1691 2096.2864 1987.6469 111.2155 -206076.2555 17415.7307 0.0000 0.0000 34113.9712 -149612.2357 297.9258 -183726.2070 -149511.5957 298.4323 -185.6797 -153.4247 557855.0379 -11.2897 -11.3376 PRESSURE: 3095400 240.118 5.87866 -91.7277 5.87964 225.677 137.441 -91.7279 137.441 -152.869 GPRESSURE: 3095400 277.961 8.04626 -90.8719 30.4431 232.977 92.785 -52.9755 161.685 -97.1101 PRESSAVG: 3095400 26.6409 -42.6418 22.4862 -42.6418 66.6399 -23.5406 22.4862 -23.5407 -77.4761 GPRESSAVG: 3095400 26.2438 -40.2929 21.1599 -41.6537 66.5046 -22.5381 23.3226 -23.4811 -76.496 TIMING: 3095400 CPU: 8970.88, 0.00293322/step Wall: 8970.88, 0.00293322/step, 1.55184 hours remaining, 209.582031 MB of memory in use. ENERGY: 3095400 744.0074 2102.2757 1960.9688 107.5121 -206614.9934 18020.6217 0.0000 0.0000 34210.7198 -149468.8880 298.7707 -183679.6077 -149371.6272 298.2905 104.3086 137.9424 556531.1184 5.2682 5.4175 PRESSURE: 3095600 103.513 70.0449 -0.363286 70.0427 71.7788 -188.268 -0.363873 -188.268 46.2953 GPRESSURE: 3095600 199.295 19.168 -92.3582 51.4368 108.981 -153.43 76.1824 -190.666 24.5345 PRESSAVG: 3095600 29.0106 3.43811 -13.436 3.4381 -12.2255 29.2519 -13.4359 29.2519 1.29883 GPRESSAVG: 3095600 28.934 3.15152 -12.3658 1.84405 -12.6352 29.6216 -13.3761 27.7602 1.8639 TIMING: 3095600 CPU: 8971.46, 0.00293293/step Wall: 8971.46, 0.00293293/step, 1.55152 hours remaining, 209.582031 MB of memory in use. ENERGY: 3095600 715.1596 2125.0481 1959.2913 121.4555 -206215.5617 17883.3761 0.0000 0.0000 33918.4524 -149492.7787 296.2183 -183411.2311 -149396.5828 298.2450 73.8622 110.9370 556619.2395 6.0280 6.0542 PRESSURE: 3095800 -9.81172 39.3867 -32.2593 39.3857 -66.5629 -134.382 -32.2602 -134.382 -53.1214 GPRESSURE: 3095800 14.2099 1.07633 -98.6478 105.519 -47.3013 -202.904 35.7122 -97.4466 -3.0218 PRESSAVG: 3095800 -10.1041 36.7435 -3.77478 36.7435 47.5863 -2.84086 -3.77485 -2.84092 -7.75047 GPRESSAVG: 3095800 -10.1539 35.2927 -3.29486 38.7464 47.8967 -1.97582 -4.74743 -2.23982 -8.1726 TIMING: 3095800 CPU: 8972.06, 0.00296691/step Wall: 8972.06, 0.00296691/step, 1.56933 hours remaining, 209.582031 MB of memory in use. ENERGY: 3095800 750.5764 2123.5768 1931.8521 112.7461 -206290.8789 17837.5450 0.0000 0.0000 33992.9594 -149541.6230 296.8690 -183534.5825 -149440.4597 298.1928 -43.1653 -12.0377 556898.2451 9.9106 9.8567 PRESSURE: 3096000 -250.856 -103.711 53.966 -103.711 96.6889 103.106 53.965 103.105 -196.651 GPRESSURE: 3096000 -198.862 -62.4181 -71.9994 -130.239 107.751 98.7161 133.323 173.615 -177.506 PRESSAVG: 3096000 -18.6538 27.754 12.3657 27.754 -21.3804 -42.2166 12.3657 -42.2165 10.0926 GPRESSAVG: 3096000 -17.4239 27.2339 10.8188 26.6646 -21.7665 -44.6269 13.3234 -40.9405 9.46099 TIMING: 3096000 CPU: 8972.64, 0.00291877/step Wall: 8972.64, 0.00291877/step, 1.54371 hours remaining, 209.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3096000 722.0653 2087.3029 1948.6315 120.7244 -206261.8599 17644.8085 0.0000 0.0000 34181.3894 -149556.9379 298.5146 -183738.3273 -149456.0744 298.7902 -116.9392 -89.5389 557634.5830 -9.9806 -9.9098 PRESSURE: 3096200 -29.3492 3.80023 36.3589 3.79998 187.997 53.1456 36.3588 53.1448 192.691 GPRESSURE: 3096200 13.5282 10.2018 -15.3757 33.2633 230.76 11.9252 38.8901 72.3046 205.976 PRESSAVG: 3096200 7.28109 53.1091 15.5454 53.1091 -38.4479 18.0932 15.5452 18.0932 21.5041 GPRESSAVG: 3096200 6.38141 53.0718 15.3224 54.3221 -38.9838 18.1438 14.2839 16.7556 22.7086 TIMING: 3096200 CPU: 8973.22, 0.00288696/step Wall: 8973.22, 0.00288696/step, 1.52672 hours remaining, 209.582031 MB of memory in use. ENERGY: 3096200 738.5802 2136.6845 1938.8085 120.3328 -206128.5684 17931.8095 0.0000 0.0000 33925.0802 -149337.2726 296.2762 -183262.3528 -149246.9574 298.4664 117.1132 150.0881 557296.0373 -3.2209 -3.2979 LDB: ============= START OF LOAD BALANCING ============== 8976.61 LDB: ============== END OF LOAD BALANCING =============== 8976.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8976.61 LDB: ============= START OF LOAD BALANCING ============== 8976.9 LDB: Largest compute 4801 load 0.024647 is 20.9% of average load 0.117881 LDB: Average compute 0.001741 is 1.5% of average load 0.117881 LDB: TIME 8976.9 LOAD: AVG 0.117881 MAX 0.178616 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.801 MB LDB: TIME 8976.9 LOAD: AVG 0.117881 MAX 0.178616 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: TIME 8976.9 LOAD: AVG 0.117881 MAX 0.178616 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: ============== END OF LOAD BALANCING =============== 8976.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8976.91 PRESSURE: 3096400 -174.709 -66.972 112.77 -66.9714 232.791 -4.95579 112.77 -4.95431 -3.02624 GPRESSURE: 3096400 -134.425 -57.9685 149.601 4.99359 242.187 -71.002 162.117 -1.52983 43.0344 PRESSAVG: 3096400 -61.0787 1.71613 26.0327 1.71603 -0.776481 -39.2741 26.0327 -39.2741 42.6692 GPRESSAVG: 3096400 -61.4545 1.36608 29.8536 3.12053 -0.363776 -38.2262 24.6645 -40.9245 42.7291 TIMING: 3096400 CPU: 8973.81, 0.00297613/step Wall: 8973.81, 0.00297613/step, 1.57371 hours remaining, 208.433594 MB of memory in use. ENERGY: 3096400 733.2896 2114.5766 1942.8273 122.1587 -206297.7576 17877.9531 0.0000 0.0000 34182.8387 -149324.1136 298.5272 -183506.9523 -149231.5540 298.6889 18.3518 50.2655 557565.0761 -6.3953 -6.3631 PRESSURE: 3096600 -44.3987 57.0929 94.684 57.093 -93.3822 95.1849 94.6845 95.1869 -16.4731 GPRESSURE: 3096600 -38.3864 27.9302 22.421 11.3472 23.3022 19.6468 69.8286 177.338 -25.758 PRESSAVG: 3096600 45.6595 8.26399 -11.1606 8.26392 0.703941 13.3265 -11.1606 13.3264 13.8918 GPRESSAVG: 3096600 46.0419 10.2771 -13.127 6.97313 1.52484 14.9084 -8.60788 14.5543 13.3727 TIMING: 3096600 CPU: 8974.4, 0.00291776/step Wall: 8974.4, 0.00291776/step, 1.54268 hours remaining, 208.691406 MB of memory in use. ENERGY: 3096600 746.2214 2074.3702 1951.0481 105.9096 -206417.8118 17900.1762 0.0000 0.0000 34255.6217 -149384.4645 299.1629 -183640.0862 -149291.1035 298.7367 -51.4180 -13.6141 558972.6142 20.0851 20.3132 PRESSURE: 3096800 -121.186 0.726951 115.418 0.726033 -101.501 -55.2067 115.418 -55.208 -29.4909 GPRESSURE: 3096800 -61.4995 -89.8411 89.7905 35.7638 -116.739 -150.338 111.886 -92.1375 20.83 PRESSAVG: 3096800 38.0931 -21.1705 39.49 -21.1705 16.4665 3.53693 39.4898 3.5369 -67.486 GPRESSAVG: 3096800 38.15 -20.5261 40.6097 -22.5332 16.3298 1.81928 37.4792 3.95085 -67.9827 TIMING: 3096800 CPU: 8974.98, 0.00290728/step Wall: 8974.98, 0.00290728/step, 1.53698 hours remaining, 208.691406 MB of memory in use. ENERGY: 3096800 763.9747 2105.6454 1933.9752 122.8538 -206162.2537 17781.8038 0.0000 0.0000 34026.2916 -149427.7092 297.1601 -183454.0008 -149328.7557 298.4605 -84.0594 -52.4696 558294.0816 -4.3088 -4.5010 PRESSURE: 3097000 -10.4881 52.9112 5.61449 52.9102 -104.681 -100.015 5.61444 -100.015 -252.332 GPRESSURE: 3097000 59.6021 -0.0923439 18.8077 26.935 -100.776 -71.8908 15.4581 -124.672 -228.217 PRESSAVG: 3097000 -7.23147 -31.6093 33.5392 -31.6093 -0.504475 -38.0505 33.5392 -38.0505 -8.77555 GPRESSAVG: 3097000 -6.89983 -33.1564 32.6881 -31.7521 -0.557694 -41.4313 34.192 -36.7245 -9.23999 TIMING: 3097000 CPU: 8975.56, 0.00289454/step Wall: 8975.56, 0.00289454/step, 1.53008 hours remaining, 208.691406 MB of memory in use. ENERGY: 3097000 773.3547 2102.9403 1968.9361 131.1689 -206603.3962 17732.0330 0.0000 0.0000 34452.2302 -149442.7329 300.8799 -183894.9632 -149346.1799 298.7948 -122.5001 -89.7969 556972.6712 -5.5038 -5.5658 PRESSURE: 3097200 -62.163 153.215 -79.8766 153.215 -11.9463 34.0563 -79.8777 34.0563 149.102 GPRESSURE: 3097200 -8.13285 194.946 -118.98 101.029 1.61397 46.0477 -106.435 50.1146 173.313 PRESSAVG: 3097200 23.9267 -31.456 4.62444 -31.456 6.66265 -12.1842 4.62436 -12.1841 0.971255 GPRESSAVG: 3097200 23.2434 -32.694 4.68279 -31.3975 7.26098 -8.73308 5.68996 -13.3674 0.555708 TIMING: 3097200 CPU: 8976.14, 0.00293109/step Wall: 8976.14, 0.00293109/step, 1.54925 hours remaining, 208.691406 MB of memory in use. ENERGY: 3097200 733.0697 2083.1105 1956.6963 108.3720 -206527.1210 17829.3588 0.0000 0.0000 34331.2932 -149485.2206 299.8237 -183816.5138 -149382.7693 298.7350 24.9976 55.5979 557546.6317 10.5202 10.3534 PRESSURE: 3097400 117.956 119.281 -37.1867 119.28 -176.851 47.0093 -37.187 47.0097 -76.4032 GPRESSURE: 3097400 128.668 135.267 -50.7831 108.489 -139.879 49.8886 -95.8538 34.717 -39.8847 PRESSAVG: 3097400 33.2103 -0.859817 -72.0923 -0.859784 23.745 -15.9689 -72.0923 -15.9689 -47.2831 GPRESSAVG: 3097400 33.1504 0.85703 -72.0802 0.483917 22.9008 -16.7225 -73.86 -14.797 -47.2795 TIMING: 3097400 CPU: 8976.72, 0.00289267/step Wall: 8976.72, 0.00289267/step, 1.52878 hours remaining, 208.691406 MB of memory in use. ENERGY: 3097400 764.0885 2083.4926 1949.8564 107.2737 -206339.2973 17615.8782 0.0000 0.0000 34384.2570 -149434.4510 300.2863 -183818.7079 -149342.9189 298.1819 -45.0993 -17.0316 557490.1416 3.2241 2.9239 PRESSURE: 3097600 -85.5995 58.3792 -48.6681 58.3786 -108.176 -119.014 -48.6682 -119.016 -40.4834 GPRESSURE: 3097600 -94.6874 1.44977 -50.792 101.23 -47.0046 -38.5326 -32.8028 -154.522 2.23151 PRESSAVG: 3097600 8.78292 -9.81923 -19.4991 -9.81928 55.349 -13.8222 -19.499 -13.8223 -76.8364 GPRESSAVG: 3097600 8.21133 -8.6823 -16.5277 -12.178 56.4161 -14.5593 -20.8818 -13.041 -77.0906 TIMING: 3097600 CPU: 8977.3, 0.00290925/step Wall: 8977.3, 0.00290925/step, 1.53738 hours remaining, 208.691406 MB of memory in use. ENERGY: 3097600 756.0262 2076.8918 1952.6205 106.9769 -206335.5332 17744.9165 0.0000 0.0000 34339.8109 -149358.2904 299.8981 -183698.1013 -149260.8588 299.2014 -78.0864 -46.4868 556388.1429 -4.2348 -4.1544 PRESSURE: 3097800 29.2521 -60.3434 95.6977 -60.344 -18.5134 -7.05901 95.6965 -7.06 -142.369 GPRESSURE: 3097800 101.747 -47.7959 110.218 33.1881 5.71131 32.9923 155.757 -22.0689 -142.832 PRESSAVG: 3097800 -11.3208 -8.19286 -72.5222 -8.19288 25.3605 -0.366042 -72.5222 -0.365985 -29.3835 GPRESSAVG: 3097800 -10.3102 -9.48101 -75.2931 -5.95014 23.4182 2.56171 -67.1068 -2.17163 -28.4991 TIMING: 3097800 CPU: 8977.89, 0.00290444/step Wall: 8977.89, 0.00290444/step, 1.53467 hours remaining, 208.691406 MB of memory in use. ENERGY: 3097800 768.0768 2109.0322 1959.7755 106.9954 -206408.7318 17899.5018 0.0000 0.0000 34277.4025 -149287.9477 299.3531 -183565.3501 -149190.3829 299.0554 -43.8767 -11.7914 556736.8802 -5.1146 -5.1303 PRESSURE: 3098000 -34.9668 173.776 27.5933 173.777 -171.231 -92.5698 27.5927 -92.5685 114.396 GPRESSURE: 3098000 -11.317 174.323 104.92 96.5477 -161.216 -21.7319 8.34763 -160.648 181.737 PRESSAVG: 3098000 60.2229 21.6632 15.0423 21.6632 -87.8444 -9.3401 15.0423 -9.34011 49.1036 GPRESSAVG: 3098000 60.1959 21.6303 16.0199 20.6562 -87.9267 -9.75221 13.0056 -10.1678 48.9658 TIMING: 3098000 CPU: 8978.47, 0.00291307/step Wall: 8978.47, 0.00291307/step, 1.53907 hours remaining, 208.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3098000 747.9335 2110.1162 1945.9444 108.6917 -206434.2734 17903.3862 0.0000 0.0000 34115.4825 -149502.7188 297.9390 -183618.2013 -149407.9523 299.0517 -30.6008 3.0681 557790.9516 7.1607 7.0783 PRESSURE: 3098200 48.6083 5.93028 -75.6216 5.93087 22.4558 6.35985 -75.6214 6.35844 -23.9133 GPRESSURE: 3098200 0.836493 -61.3001 -132.449 72.745 80.8572 -23.9321 -0.359413 114.509 61.1654 PRESSAVG: 3098200 37.3305 37.9186 17.2225 37.9185 -10.4352 -12.8401 17.2225 -12.84 -42.3565 GPRESSAVG: 3098200 36.3711 37.7243 14.8142 37.5817 -10.9573 -13.8152 16.5591 -14.1519 -41.0299 TIMING: 3098200 CPU: 8979.05, 0.00291077/step Wall: 8979.05, 0.00291077/step, 1.5377 hours remaining, 208.691406 MB of memory in use. ENERGY: 3098200 744.1387 2030.1646 1970.3523 113.5184 -205976.9419 17670.3241 0.0000 0.0000 34018.5586 -149429.8851 297.0925 -183448.4437 -149324.9933 298.4945 15.7169 47.6197 556117.8240 -5.1537 -5.2053 PRESSURE: 3098400 167.41 -97.8877 -50.3307 -97.8882 -182.876 -8.50787 -50.33 -8.50867 69.8185 GPRESSURE: 3098400 172.718 -125.426 6.63929 -24.2646 -147.668 -36.737 -80.117 -14.1506 153.301 PRESSAVG: 3098400 38.1627 26.2483 31.0444 26.2484 -35.726 3.52314 31.0444 3.52319 5.44201 GPRESSAVG: 3098400 37.4689 25.8604 32.9247 25.5597 -34.8834 4.76522 31.4897 5.1958 5.78694 TIMING: 3098400 CPU: 8979.63, 0.00292287/step Wall: 8979.63, 0.00292287/step, 1.54392 hours remaining, 208.691406 MB of memory in use. ENERGY: 3098400 738.5129 2099.2466 1975.3239 114.4563 -206335.0082 17926.5300 0.0000 0.0000 34093.6515 -149387.2869 297.7483 -183480.9384 -149293.3312 297.6615 18.1174 59.4506 557397.9192 2.6262 2.7908 PRESSURE: 3098600 -111.92 -233.674 -68.3645 -233.675 -45.6791 26.2639 -68.3648 26.2635 36.0314 GPRESSURE: 3098600 -98.2025 -145.077 -93.3703 -255.553 -16.3393 -27.1486 -151.596 76.6227 101.713 PRESSAVG: 3098600 -21.8049 34.1178 14.0174 34.1179 -30.2088 37.6242 14.0174 37.6241 123.356 GPRESSAVG: 3098600 -20.2786 36.2087 13.4426 34.3195 -30.7886 37.04 13.2321 37.3098 122.48 TIMING: 3098600 CPU: 8980.22, 0.00290425/step Wall: 8980.22, 0.00290425/step, 1.53393 hours remaining, 208.691406 MB of memory in use. ENERGY: 3098600 740.0489 2036.1246 1957.6899 117.2347 -206315.0274 17962.9705 0.0000 0.0000 34122.8740 -149378.0847 298.0035 -183500.9587 -149282.9294 298.6977 -40.5227 -4.2764 558526.2877 23.7809 23.8042 PRESSURE: 3098800 -118.085 32.1525 58.7386 32.1532 -252.882 -215.559 58.7393 -215.557 15.4777 GPRESSURE: 3098800 -88.6701 81.6466 -27.2195 -39.5135 -206.672 -210.929 85.5345 -72.8483 39.4998 PRESSAVG: 3098800 -24.1684 -81.3756 7.2881 -81.3756 26.7241 2.00546 7.28815 2.00551 -34.905 GPRESSAVG: 3098800 -25.3211 -82.4015 10.2747 -80.8366 27.3927 0.998055 5.22418 4.69511 -34.7945 TIMING: 3098800 CPU: 8980.8, 0.00292417/step Wall: 8980.8, 0.00292417/step, 1.54429 hours remaining, 208.691406 MB of memory in use. ENERGY: 3098800 764.6226 2067.4663 1975.1169 104.9758 -206154.1356 17780.7880 0.0000 0.0000 34112.1281 -149349.0381 297.9097 -183461.1662 -149255.5817 298.7684 -118.4964 -85.2807 557869.1900 -10.7831 -10.9076 PRESSURE: 3099000 -105.97 -176.997 56.4687 -176.999 -146.924 81.5732 56.4685 81.5731 -262.845 GPRESSURE: 3099000 -42.2439 -45.3764 110.954 -174.912 -155.359 100.806 52.4181 36.2874 -228.789 PRESSAVG: 3099000 -3.66683 -12.2247 28.2647 -12.2248 -3.33874 -24.4484 28.2646 -24.4484 -13.1246 GPRESSAVG: 3099000 -2.9488 -13.8517 25.5686 -10.7748 -3.22799 -24.3169 31.6844 -25.0673 -13.9776 TIMING: 3099000 CPU: 8981.39, 0.00293849/step Wall: 8981.39, 0.00293849/step, 1.55169 hours remaining, 208.691406 MB of memory in use. ENERGY: 3099000 743.3017 2140.3788 1978.3338 115.0520 -205990.7597 17649.1632 0.0000 0.0000 34086.5366 -149277.9936 297.6862 -183364.5301 -149184.1601 298.5151 -171.9126 -142.1304 558114.6818 -6.7101 -6.7181 PRESSURE: 3099200 72.151 -22.9674 -127.665 -22.9677 -3.05654 -69.5929 -127.665 -69.5929 150.615 GPRESSURE: 3099200 127.714 58.9884 -149.632 -21.443 21.3603 -69.2363 -113.097 -62.8014 168.154 PRESSAVG: 3099200 50.7554 5.82243 8.42972 5.82231 -41.9145 -113.94 8.42972 -113.94 0.480564 GPRESSAVG: 3099200 50.9959 5.02186 7.95111 4.97808 -42.3861 -113.989 7.65435 -114.824 0.601374 TIMING: 3099200 CPU: 8981.97, 0.00291349/step Wall: 8981.97, 0.00291349/step, 1.53832 hours remaining, 208.691406 MB of memory in use. ENERGY: 3099200 772.7069 2090.9729 1938.5208 111.0887 -206357.5256 18039.7342 0.0000 0.0000 34193.3712 -149211.1309 298.6192 -183404.5021 -149128.0779 298.5412 73.2365 105.7427 555973.7717 3.1072 3.0704 PRESSURE: 3099400 8.17679 -13.4938 32.6415 -13.494 -78.019 13.0905 32.6419 13.0897 -165.168 GPRESSURE: 3099400 -11.3918 -3.18964 55.4407 22.6228 -29.5315 54.6316 80.4893 29.0675 -99.4934 PRESSAVG: 3099400 0.722814 27.7141 50.5518 27.714 0.494185 -10.0635 50.5518 -10.0635 -3.92773 GPRESSAVG: 3099400 -0.312974 31.3612 50.7347 25.8987 1.53849 -7.0531 50.2538 -11.913 -4.30299 TIMING: 3099400 CPU: 8982.55, 0.00288177/step Wall: 8982.55, 0.00288177/step, 1.52142 hours remaining, 208.691406 MB of memory in use. ENERGY: 3099400 734.3715 2162.8229 1981.2917 116.2359 -206118.6617 17723.7814 0.0000 0.0000 34191.5794 -149208.5790 298.6036 -183400.1584 -149108.9883 298.9585 -78.3367 -46.8056 557845.2548 -0.9036 -1.0258 PRESSURE: 3099600 -103.613 -91.5678 -43.247 -91.5681 141.438 -80.6183 -43.2459 -80.6174 143.862 GPRESSURE: 3099600 -28.8861 -94.2085 -85.1889 -124.369 120.649 -40.7707 -18.9662 -93.2105 187.157 PRESSAVG: 3099600 -93.7277 9.26811 22.9084 9.26802 -5.54162 48.298 22.9084 48.2979 54.611 GPRESSAVG: 3099600 -93.0143 7.90498 24.1659 11.1397 -5.89994 43.484 22.6281 51.2476 54.3137 TIMING: 3099600 CPU: 8983.12, 0.00286722/step Wall: 8983.12, 0.00286722/step, 1.51357 hours remaining, 208.691406 MB of memory in use. ENERGY: 3099600 708.2254 2059.5319 1973.2737 97.0718 -206299.2070 17859.6353 0.0000 0.0000 34285.4608 -149316.0081 299.4235 -183601.4689 -149217.8818 298.5084 60.5623 92.9733 558319.6475 -14.8861 -14.8668 PRESSURE: 3099800 -127.975 85.9029 40.6101 85.9024 -216.713 -28.0502 40.6105 -28.051 -189.775 GPRESSURE: 3099800 -147.84 136.539 8.80166 58.6165 -140.522 8.15306 76.4416 -92.6953 -132.578 PRESSAVG: 3099800 79.4415 18.0996 0.734461 18.0997 -76.1102 40.5943 0.73448 40.5943 5.582 GPRESSAVG: 3099800 77.7608 17.6283 0.258025 19.928 -75.6955 43.5467 1.0397 39.2411 7.2253 TIMING: 3099800 CPU: 8983.69, 0.00286961/step Wall: 8983.69, 0.00286961/step, 1.51468 hours remaining, 208.691406 MB of memory in use. ENERGY: 3099800 794.8078 2070.4897 1982.8738 96.2234 -206508.2508 17920.8982 0.0000 0.0000 34287.8245 -149355.1334 299.4441 -183642.9579 -149254.7121 298.8455 -178.1542 -140.3137 557028.4911 2.9711 3.0969 PRESSURE: 3100000 -39.9004 120.117 -155.036 120.115 157.16 -102.253 -155.034 -102.252 57.5986 GPRESSURE: 3100000 -8.74645 129.042 -179.905 183.408 175.594 -93.6296 -93.425 -95.5899 107.773 PRESSAVG: 3100000 -45.564 25.4594 -13.7845 25.4594 4.7867 -8.80266 -13.7844 -8.8027 18.6904 GPRESSAVG: 3100000 -44.2943 24.6833 -13.1341 23.0124 5.30473 -9.12256 -12.5698 -9.38453 16.9168 TIMING: 3100000 CPU: 8984.28, 0.0029016/step Wall: 8984.28, 0.0029016/step, 1.5314 hours remaining, 208.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3100000 730.9933 2104.1177 1937.1639 107.6599 -206342.3076 17947.3241 0.0000 0.0000 34084.9783 -149430.0703 297.6726 -183515.0485 -149340.9666 298.4090 58.2862 91.5402 558975.1691 -7.3623 -7.3576 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100200 50.6207 -1.67937 -5.88857 -1.68041 -125.867 8.04967 -5.88887 8.04915 -41.9941 GPRESSURE: 3100200 56.4158 12.6954 -44.1446 65.3252 -98.0663 -41.3576 -82.6095 2.92963 31.9646 PRESSAVG: 3100200 33.9303 67.1096 1.77949 67.1096 -80.219 52.9775 1.77949 52.9775 79.0927 GPRESSAVG: 3100200 33.6761 67.656 -0.47417 68.3387 -80.4409 52.8589 0.811509 55.2783 79.6419 TIMING: 3100200 CPU: 8984.87, 0.00296086/step Wall: 8984.87, 0.00296086/step, 1.56251 hours remaining, 208.984375 MB of memory in use. ENERGY: 3100200 736.0680 2073.1034 1965.6748 115.6573 -206560.6432 17890.7798 0.0000 0.0000 34259.1130 -149520.2468 299.1934 -183779.3599 -149424.5117 297.9808 -39.0800 -3.2286 558426.8709 10.9347 10.9590 LDB: ============= START OF LOAD BALANCING ============== 8988.25 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8988.25 LDB: =============== DONE WITH MIGRATION ================ 8988.25 LDB: ============= START OF LOAD BALANCING ============== 8988.54 LDB: Largest compute 4800 load 0.022968 is 19.5% of average load 0.117937 LDB: Average compute 0.001735 is 1.5% of average load 0.117937 LDB: TIME 8988.55 LOAD: AVG 0.117937 MAX 0.178231 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.109 MB LDB: TIME 8988.55 LOAD: AVG 0.117937 MAX 0.178231 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.312 MB LDB: TIME 8988.55 LOAD: AVG 0.117937 MAX 0.178231 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8988.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8988.55 PRESSURE: 3100400 -167.568 180.583 -1.01998 180.583 135.535 151.504 -1.02086 151.505 -224.099 GPRESSURE: 3100400 -84.8876 204.691 47.2678 193.258 101.577 118.25 36.398 135.709 -159.997 PRESSAVG: 3100400 54.8851 44.0655 -14.2881 44.0655 -1.66324 -19.1199 -14.2881 -19.1199 -62.7883 GPRESSAVG: 3100400 54.9954 46.3189 -9.62037 41.4649 -0.985776 -20.5549 -15.2805 -20.3834 -62.8652 TIMING: 3100400 CPU: 8985.46, 0.00295033/step Wall: 8985.46, 0.00295033/step, 1.55679 hours remaining, 208.734375 MB of memory in use. ENERGY: 3100400 778.1719 2061.3998 1953.3158 118.8188 -206486.1130 17858.7868 0.0000 0.0000 34206.7254 -149508.8945 298.7358 -183715.6199 -149415.4703 298.4192 -85.3769 -47.7690 558610.1146 -3.1888 -2.9518 PRESSURE: 3100600 143.236 144.114 27.1648 144.114 -204.122 -19.7629 27.166 -19.7629 -67.9816 GPRESSURE: 3100600 202.961 174.731 84.1167 78.1384 -148.587 -56.1975 2.99286 -41.7296 -84.7752 PRESSAVG: 3100600 23.5245 18.5268 35.7595 18.5268 9.92813 24.8589 35.7596 24.8589 -33.1624 GPRESSAVG: 3100600 22.6922 15.8669 31.7212 20.1185 8.85046 24.6668 35.322 24.6569 -31.7862 TIMING: 3100600 CPU: 8986.03, 0.00287612/step Wall: 8986.03, 0.00287613/step, 1.51748 hours remaining, 208.789062 MB of memory in use. ENERGY: 3100600 728.9543 2019.5353 1960.1242 116.4886 -206163.5781 17814.9153 0.0000 0.0000 33999.6701 -149523.8902 296.9276 -183523.5603 -149417.3386 298.1610 -42.9558 -10.1339 559484.8706 0.0968 -0.0812 PRESSURE: 3100800 73.3453 -146.89 39.7652 -146.891 -83.9762 -88.0305 39.7643 -88.0308 -18.1161 GPRESSURE: 3100800 94.7387 -100.053 61.1164 -135.187 -31.2081 -106.868 143.176 -52.6922 10.8174 PRESSAVG: 3100800 31.3995 -17.5749 42.5653 -17.5748 5.4592 -9.28934 42.5653 -9.28935 -20.0764 GPRESSAVG: 3100800 32.407 -15.8565 44.5744 -19.0127 5.27357 -4.44318 43.4085 -10.6738 -20.4749 TIMING: 3100800 CPU: 8986.61, 0.00288918/step Wall: 8986.61, 0.00288918/step, 1.5242 hours remaining, 208.789062 MB of memory in use. ENERGY: 3100800 764.3715 2126.6885 1942.6534 108.5835 -206382.1459 17871.0180 0.0000 0.0000 34014.0646 -149554.7665 297.0533 -183568.8311 -149455.1824 298.1696 -9.5823 24.7827 557732.2545 5.5941 5.7352 PRESSURE: 3101000 -150.649 -15.2894 -188.57 -15.2883 -119.226 78.2925 -188.573 78.2933 314.737 GPRESSURE: 3101000 -63.7621 20.125 -155.562 -105.999 -79.6694 35.074 -204.399 158.182 290.463 PRESSAVG: 3101000 -5.57953 -25.6247 -38.8361 -25.6246 -29.5862 2.48454 -38.8362 2.48463 -4.62827 GPRESSAVG: 3101000 -5.8295 -27.5348 -39.5723 -25.0973 -28.9468 0.557669 -38.0438 4.68434 -5.32908 TIMING: 3101000 CPU: 8987.19, 0.00287848/step Wall: 8987.19, 0.00287848/step, 1.5184 hours remaining, 208.789062 MB of memory in use. ENERGY: 3101000 737.5812 2077.0563 1978.6533 125.8901 -206788.0378 18118.6122 0.0000 0.0000 34086.0537 -149664.1909 297.6820 -183750.2446 -149572.1841 297.3382 14.9542 49.0106 558951.2056 -13.2647 -13.3684 PRESSURE: 3101200 157.254 -94.7932 -269.721 -94.7924 171.399 -114.613 -269.721 -114.613 -162.427 GPRESSURE: 3101200 213.316 -131.283 -139.119 -109.706 160.48 -109.95 -301.78 -95.8155 -92.9088 PRESSAVG: 3101200 18.7889 -28.8371 -34.9978 -28.837 -4.52022 2.9572 -34.9978 2.95713 16.6575 GPRESSAVG: 3101200 18.8897 -26.781 -35.8933 -27.6241 -3.50201 3.22755 -36.246 1.55972 15.8124 TIMING: 3101200 CPU: 8987.77, 0.00290148/step Wall: 8987.77, 0.00290148/step, 1.53037 hours remaining, 208.789062 MB of memory in use. ENERGY: 3101200 702.2778 2129.5100 1974.9819 110.0585 -206668.8482 18020.6423 0.0000 0.0000 34063.4125 -149667.9652 297.4843 -183731.3777 -149563.6354 298.0406 55.4086 93.6292 557993.4959 10.3088 10.4000 PRESSURE: 3101400 -29.447 -10.3694 -61.9407 -10.3686 126.713 50.2988 -61.9408 50.2974 -94.5018 GPRESSURE: 3101400 17.0986 34.9076 -64.6307 -50.0688 203.639 49.9101 -137.429 124.976 -129.105 PRESSAVG: 3101400 47.4622 26.3055 -55.5345 26.3056 33.7496 -28.9349 -55.5345 -28.935 -66.5467 GPRESSAVG: 3101400 46.4907 25.3913 -52.5568 26.4555 34.0416 -28.7602 -57.3464 -26.5673 -66.0504 TIMING: 3101400 CPU: 8988.35, 0.00289932/step Wall: 8988.35, 0.00289932/step, 1.52907 hours remaining, 208.789062 MB of memory in use. ENERGY: 3101400 701.2460 2122.3408 1949.2448 106.8111 -206949.4067 18150.8618 0.0000 0.0000 34234.8946 -149684.0076 298.9818 -183918.9022 -149587.6698 298.4485 0.9215 30.5442 558083.5273 4.8884 4.8273 PRESSURE: 3101600 -16.2709 -7.36818 -53.465 -7.36871 55.76 114.367 -53.4657 114.366 -96.5643 GPRESSURE: 3101600 -7.53118 -52.0517 -8.28881 -118.964 84.6648 41.981 -27.5538 76.8881 -33.1642 PRESSAVG: 3101600 -23.878 -25.5776 12.1752 -25.5776 27.3493 29.7613 12.1751 29.7614 7.32369 GPRESSAVG: 3101600 -23.8216 -24.7464 8.59216 -27.2944 27.098 28.6288 13.9717 27.684 7.52701 TIMING: 3101600 CPU: 8988.92, 0.00287956/step Wall: 8988.92, 0.00287956/step, 1.51849 hours remaining, 208.789062 MB of memory in use. ENERGY: 3101600 714.0667 2085.3071 1971.3447 120.6746 -206662.5556 17924.1068 0.0000 0.0000 33985.9002 -149861.1556 296.8073 -183847.0558 -149762.1180 297.5385 -19.0251 14.6565 557841.5667 3.5983 3.6011 PRESSURE: 3101800 -258.118 -94.6725 -86.9159 -94.6735 -61.7486 -257.916 -86.9156 -257.915 -71.4574 GPRESSURE: 3101800 -207.881 -212.061 -118.012 6.43291 -7.88506 -228.551 -19.885 -224.394 -77.0609 PRESSAVG: 3101800 29.6897 2.26883 29.3671 2.26883 9.0733 11.7045 29.367 11.7046 -30.2478 GPRESSAVG: 3101800 30.2001 1.7972 29.2074 3.66468 8.78889 13.6511 31.2255 13.0086 -30.0701 TIMING: 3101800 CPU: 8989.5, 0.00288332/step Wall: 8989.5, 0.00288332/step, 1.52031 hours remaining, 208.789062 MB of memory in use. ENERGY: 3101800 768.3861 2110.6978 1960.1604 111.1502 -206529.2793 17811.8455 0.0000 0.0000 34050.1423 -149716.8970 297.3684 -183767.0393 -149615.7665 297.3796 -130.4415 -97.6090 556008.1166 2.8384 2.9730 PRESSURE: 3102000 -274.773 24.511 -224.554 24.5102 -204.579 -151.89 -224.554 -151.889 -329.187 GPRESSURE: 3102000 -241.77 74.8167 -167.335 17.4391 -172.077 -147.332 -275.797 -145.502 -297.098 PRESSAVG: 3102000 8.98074 -26.4771 -98.066 -26.477 14.9251 -17.0591 -98.0661 -17.0591 -59.5263 GPRESSAVG: 3102000 9.33725 -26.2508 -95.2685 -27.3467 14.3266 -18.6897 -99.956 -17.4677 -59.0597 TIMING: 3102000 CPU: 8990.08, 0.00289969/step Wall: 8990.08, 0.00289969/step, 1.52878 hours remaining, 208.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3102000 758.2257 2180.3548 1933.9942 107.9787 -206255.6526 17598.9127 0.0000 0.0000 34055.4202 -149620.7664 297.4145 -183676.1866 -149532.1281 297.6661 -269.5130 -236.9819 558003.2271 -11.8735 -11.7986 PRESSURE: 3102200 -173.209 -157.382 -51.9048 -157.381 189.159 16.27 -51.905 16.2684 12.6101 GPRESSURE: 3102200 -136.988 -148.836 -29.7161 -174.326 209.396 66.6119 5.50368 10.2109 56.4897 PRESSAVG: 3102200 -60.2288 9.50198 -4.28208 9.50194 106.575 -76.7298 -4.282 -76.7297 -12.4139 GPRESSAVG: 3102200 -59.826 7.98219 -6.0141 11.7014 106.459 -77.0636 -2.96422 -75.7414 -12.8904 TIMING: 3102200 CPU: 8990.66, 0.00289758/step Wall: 8990.66, 0.00289758/step, 1.52751 hours remaining, 208.789062 MB of memory in use. ENERGY: 3102200 759.1316 2150.7214 1959.7706 119.6191 -206854.8601 18104.2125 0.0000 0.0000 34108.4512 -149652.9537 297.8776 -183761.4049 -149556.2803 298.2176 9.5200 42.9657 556368.3386 11.3106 11.2477 PRESSURE: 3102400 11.7519 -23.5405 -31.0106 -23.5401 82.571 27.4519 -31.0105 27.4546 -5.20807 GPRESSURE: 3102400 8.64805 -80.1288 -58.8938 -28.7863 129.955 -25.4068 -96.7042 84.8471 45.4254 PRESSAVG: 3102400 17.3226 34.6417 -3.07103 34.6417 53.6618 9.80366 -3.07108 9.80366 -93.3928 GPRESSAVG: 3102400 16.7309 35.4832 -3.95724 32.2806 53.9303 10.5715 -3.88179 8.54391 -93.2115 TIMING: 3102400 CPU: 8991.23, 0.00287519/step Wall: 8991.23, 0.00287519/step, 1.51555 hours remaining, 208.789062 MB of memory in use. ENERGY: 3102400 753.5844 2048.6345 1960.9193 127.6431 -206892.1652 18020.3883 0.0000 0.0000 34437.2889 -149543.7068 300.7494 -183980.9957 -149443.9910 297.9539 29.7050 61.3427 558061.8646 -7.4694 -7.5168 PRESSURE: 3102600 182.239 -2.5601 -8.07765 -2.55979 -45.9374 -145.979 -8.07741 -145.978 15.2511 GPRESSURE: 3102600 237.233 45.1527 -7.31047 49.9765 13.479 -173.347 -38.6157 -163.417 -9.59081 PRESSAVG: 3102600 -0.321963 49.9878 34.02 49.9878 29.6198 3.66582 34.0201 3.66595 -32.8018 GPRESSAVG: 3102600 0.200388 49.8257 34.1373 51.8056 30.6667 3.97461 33.2026 2.75085 -34.5035 TIMING: 3102600 CPU: 8991.81, 0.00290799/step Wall: 8991.81, 0.00290799/step, 1.53267 hours remaining, 208.789062 MB of memory in use. ENERGY: 3102600 747.6722 2146.1633 1952.6371 116.3893 -206588.4681 17999.3738 0.0000 0.0000 34178.1564 -149448.0761 298.4863 -183626.2325 -149352.5658 297.8445 50.5176 80.3737 556904.7005 -1.1680 -1.2121 PRESSURE: 3102800 -120.037 28.6909 13.8039 28.6915 -25.9783 -129.673 13.8048 -129.672 -129.453 GPRESSURE: 3102800 -123.433 67.69 23.0151 -56.0067 48.4734 -98.5643 69.6609 -131.592 -107.17 PRESSAVG: 3102800 -6.96399 -3.11028 -20.1505 -3.11032 14.2878 48.7231 -20.1504 48.7231 -54.9997 GPRESSAVG: 3102800 -7.47241 -2.89268 -19.1193 -3.55107 13.6118 48.0372 -20.759 49.9307 -53.1764 TIMING: 3102800 CPU: 8992.4, 0.00290203/step Wall: 8992.4, 0.00290203/step, 1.52937 hours remaining, 208.789062 MB of memory in use. ENERGY: 3102800 793.4995 2140.6689 1954.6203 117.0659 -206550.6237 17756.2882 0.0000 0.0000 34222.3631 -149566.1178 298.8724 -183788.4809 -149471.8963 297.9337 -91.8228 -60.7097 555739.0180 -15.8919 -15.6790 PRESSURE: 3103000 194.754 -108.43 79.9278 -108.43 -10.0332 -89.0051 79.9265 -89.0056 384.105 GPRESSURE: 3103000 233.708 -30.6429 50.9983 -134.41 70.3191 -125.126 128.241 -72.135 358.079 PRESSAVG: 3103000 -6.03209 -14.2664 -60.4135 -14.2662 -19.1459 45.4177 -60.4135 45.4177 39.1502 GPRESSAVG: 3103000 -6.51116 -13.1134 -61.4606 -14.6169 -17.8595 46.7412 -58.2579 43.8422 38.2373 TIMING: 3103000 CPU: 8992.98, 0.00290271/step Wall: 8992.98, 0.00290271/step, 1.52957 hours remaining, 208.789062 MB of memory in use. ENERGY: 3103000 757.7441 2093.2930 1962.5797 120.9345 -206913.1671 18274.3349 0.0000 0.0000 34138.6329 -149565.6480 298.1412 -183704.2808 -149464.9003 297.9903 189.6086 220.7021 555345.5551 4.6574 4.6222 PRESSURE: 3103200 -203.604 -29.2291 -113.336 -29.23 -144.65 -12.7356 -113.336 -12.7365 -163.292 GPRESSURE: 3103200 -191.527 -22.4821 -52.6846 -17.027 -61.4347 15.304 -147.301 27.7112 -156.061 PRESSAVG: 3103200 5.24616 5.56223 -38.1634 5.56205 -14.1137 38.4505 -38.1634 38.4505 5.81532 GPRESSAVG: 3103200 4.72854 3.86982 -36.2569 6.2408 -14.6705 38.6623 -40.6692 38.3295 6.94986 TIMING: 3103200 CPU: 8993.55, 0.00289236/step Wall: 8993.55, 0.00289236/step, 1.52395 hours remaining, 208.789062 MB of memory in use. ENERGY: 3103200 736.5911 2073.1257 1930.7918 120.8717 -206137.4041 17647.1032 0.0000 0.0000 33985.2875 -149643.6330 296.8020 -183628.9205 -149539.9683 298.3822 -170.5151 -136.3409 557832.1859 -1.0174 -0.9974 PRESSURE: 3103400 -22.9803 -34.361 33.2522 -34.3616 -213.6 -5.44954 33.2527 -5.4498 -93.0769 GPRESSURE: 3103400 73.4434 41.5035 20.4418 -101.162 -164.481 39.2916 74.3139 -76.5052 -133.039 PRESSAVG: 3103400 -35.411 38.2301 -81.4143 38.2302 81.7356 4.07261 -81.4145 4.07264 -49.0131 GPRESSAVG: 3103400 -32.8822 39.3149 -83.4567 37.3062 79.8162 5.74691 -78.9636 4.03696 -49.8818 TIMING: 3103400 CPU: 8994.13, 0.00290157/step Wall: 8994.13, 0.00290157/step, 1.52864 hours remaining, 208.867188 MB of memory in use. ENERGY: 3103400 782.1432 2126.5091 1979.1139 111.8148 -206705.0367 17786.1831 0.0000 0.0000 34167.0934 -149752.1792 298.3897 -183919.2726 -149646.8582 296.9701 -109.8857 -74.6924 555336.9752 -0.8962 -0.9826 PRESSURE: 3103600 77.8277 217.638 95.2718 217.639 50.5963 -30.8406 95.2712 -30.8404 -38.2643 GPRESSURE: 3103600 70.826 140.168 89.6012 228.517 97.544 -2.47551 27.7471 -13.8862 19.5265 PRESSAVG: 3103600 68.7423 13.411 37.8087 13.411 31.3518 47.3022 37.8087 47.3023 -37.0996 GPRESSAVG: 3103600 66.9882 11.5066 39.9506 13.8781 31.9378 45.068 38.3291 47.1406 -36.2102 TIMING: 3103600 CPU: 8994.72, 0.00290612/step Wall: 8994.72, 0.00290612/step, 1.53088 hours remaining, 208.867188 MB of memory in use. ENERGY: 3103600 751.7186 2162.2210 1965.5429 107.4508 -206580.8271 17967.1035 0.0000 0.0000 33951.7106 -149675.0797 296.5087 -183626.7903 -149577.6547 297.5547 30.0532 62.6322 557792.7258 20.9982 20.9053 PRESSURE: 3103800 -140.557 -108.719 -22.1662 -108.719 43.3916 -53.4357 -22.1669 -53.436 -207.205 GPRESSURE: 3103800 -97.7644 -137.923 -4.59992 -103.44 16.6409 -40.7152 16.1453 -25.6958 -117.438 PRESSAVG: 3103800 39.8719 -16.8542 32.2235 -16.8541 -20.5043 18.7895 32.2235 18.7896 -36.9768 GPRESSAVG: 3103800 41.0434 -16.3092 32.0672 -16.2198 -21.2887 21.3333 30.7046 18.8957 -37.3786 TIMING: 3103800 CPU: 8995.3, 0.00290058/step Wall: 8995.3, 0.00290058/step, 1.5278 hours remaining, 208.867188 MB of memory in use. ENERGY: 3103800 758.5859 2104.4246 1965.7973 105.4435 -206385.0244 17767.8186 0.0000 0.0000 34199.7208 -149483.2337 298.6747 -183682.9545 -149389.6246 298.0545 -101.4567 -66.1871 556530.8175 -5.8697 -5.8746 PRESSURE: 3104000 -183.064 -21.9015 -52.4482 -21.9023 -92.9182 147.025 -52.4492 147.026 29.6406 GPRESSURE: 3104000 -135.105 28.4455 -52.0078 -75.3472 -44.7809 201.96 -77.1248 21.8081 37.9956 PRESSAVG: 3104000 4.91673 -46.7818 -21.5966 -46.7818 -16.5738 27.9252 -21.5967 27.9252 -26.4509 GPRESSAVG: 3104000 3.68194 -44.7396 -22.0442 -46.3067 -15.6775 26.829 -21.4547 29.1478 -26.285 TIMING: 3104000 CPU: 8995.87, 0.00287537/step Wall: 8995.87, 0.00287537/step, 1.51436 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3104000 748.3313 2147.0649 1948.9260 111.1668 -206242.8321 17756.6187 0.0000 0.0000 34161.6628 -149369.0616 298.3423 -183530.7244 -149271.0309 298.7260 -82.1138 -47.2966 557575.6564 -12.7027 -12.7602 PRESSURE: 3104200 4.47018 145.209 50.6983 145.207 -7.72041 147.129 50.6978 147.128 142.853 GPRESSURE: 3104200 65.4561 129.424 -58.8795 152.454 -4.12829 190.116 175.076 162.822 172.047 PRESSAVG: 3104200 42.0461 -3.53341 -4.37844 -3.53339 -36.2897 14.8327 -4.37833 14.8328 0.574041 GPRESSAVG: 3104200 42.7562 -7.08723 -4.27169 -2.99595 -36.2371 13.924 -3.76608 12.2185 0.314026 TIMING: 3104200 CPU: 8996.45, 0.00290737/step Wall: 8996.45, 0.00290737/step, 1.53105 hours remaining, 208.867188 MB of memory in use. ENERGY: 3104200 755.4831 2157.6031 1944.5763 116.4454 -206781.7935 17987.0853 0.0000 0.0000 34234.3887 -149586.2117 298.9774 -183820.6003 -149489.7096 298.0013 46.5342 77.7916 556589.4535 2.1101 2.2777 LDB: ============= START OF LOAD BALANCING ============== 8999.84 LDB: ============== END OF LOAD BALANCING =============== 8999.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8999.84 LDB: ============= START OF LOAD BALANCING ============== 9000.14 LDB: Largest compute 4800 load 0.022694 is 19.2% of average load 0.117907 LDB: Average compute 0.001726 is 1.5% of average load 0.117907 LDB: TIME 9000.14 LOAD: AVG 0.117907 MAX 0.181645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.199 MB LDB: TIME 9000.14 LOAD: AVG 0.117907 MAX 0.181645 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.402 MB LDB: TIME 9000.14 LOAD: AVG 0.117907 MAX 0.181645 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.402 MB LDB: ============== END OF LOAD BALANCING =============== 9000.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9000.14 PRESSURE: 3104400 -193.214 61.3288 -104.563 61.3284 -325.847 -1.73295 -104.562 -1.73456 -244.813 GPRESSURE: 3104400 -214.1 68.2912 -14.5788 17.5269 -277.426 45.6173 -81.4055 3.17397 -179.305 PRESSAVG: 3104400 40.1835 -8.36668 5.61172 -8.36669 -13.9559 8.89198 5.61175 8.89201 -25.6079 GPRESSAVG: 3104400 40.4445 -8.04911 4.62136 -9.44961 -13.7433 10.7869 5.37889 9.18492 -25.9153 TIMING: 3104400 CPU: 8997.05, 0.0029839/step Wall: 8997.05, 0.0029839/step, 1.57119 hours remaining, 209.691406 MB of memory in use. ENERGY: 3104400 762.0209 2128.1654 1955.5801 117.1827 -206012.0783 17549.9883 0.0000 0.0000 34131.6852 -149367.4557 298.0805 -183499.1408 -149269.0812 298.4850 -254.6248 -223.6102 557240.8780 0.2066 0.2620 PRESSURE: 3104600 219.977 -40.0864 -110.278 -40.0857 150.326 -50.2465 -110.278 -50.2466 10.5491 GPRESSURE: 3104600 228.712 -95.1513 -57.4352 -33.1008 192.46 14.9284 -114.717 -83.8308 41.9935 PRESSAVG: 3104600 11.3958 -40.7793 -0.425482 -40.7793 -2.31697 40.1794 -0.425551 40.1794 -17.6967 GPRESSAVG: 3104600 10.609 -39.1064 -0.85021 -39.7343 -2.23691 38.9331 -0.942774 43.2604 -17.4291 TIMING: 3104600 CPU: 8997.63, 0.00291327/step Wall: 8997.63, 0.00291327/step, 1.53384 hours remaining, 209.691406 MB of memory in use. ENERGY: 3104600 687.7074 2122.1629 1932.0321 100.7991 -206388.1540 17841.4995 0.0000 0.0000 34226.9953 -149476.9577 298.9129 -183703.9531 -149377.7898 298.9782 126.9508 154.3885 556290.1745 -2.8726 -3.0190 PRESSURE: 3104800 137.022 -26.7967 -1.54762 -26.7964 122.444 52.9197 -1.54626 52.9193 -54.3608 GPRESSURE: 3104800 187.404 -12.718 104.65 -13.1001 133.791 25.92 -72.4843 28.9492 -3.38831 PRESSAVG: 3104800 33.6919 -24.1102 -1.134 -24.1103 39.0502 -10.3112 -1.13404 -10.3113 -54.468 GPRESSAVG: 3104800 35.4511 -23.3727 -0.0225805 -26.2872 38.349 -10.7665 0.536935 -10.4093 -55.6584 TIMING: 3104800 CPU: 8998.21, 0.0029127/step Wall: 8998.21, 0.0029127/step, 1.53337 hours remaining, 209.691406 MB of memory in use. ENERGY: 3104800 721.0203 2091.1120 1972.4138 103.3070 -206623.6424 17929.4172 0.0000 0.0000 34218.2093 -149588.1629 298.8361 -183806.3722 -149492.5806 299.0780 68.3685 105.9356 556734.4539 6.0914 6.0472 PRESSURE: 3105000 83.3371 1.90299 110.365 1.90286 196.468 79.8376 110.366 79.8408 251.152 GPRESSURE: 3105000 152.847 -45.8412 147.021 -12.1822 229.922 14.5103 112.689 67.4785 254.895 PRESSAVG: 3105000 -1.17469 12.7778 14.3295 12.7778 -6.39558 -16.5406 14.3295 -16.5407 -32.1215 GPRESSAVG: 3105000 -3.28959 11.9841 12.7037 14.9991 -5.30106 -14.9144 13.3951 -19.3252 -30.9332 TIMING: 3105000 CPU: 8998.8, 0.00291153/step Wall: 8998.8, 0.00291153/step, 1.5326 hours remaining, 209.691406 MB of memory in use. ENERGY: 3105000 747.0714 2053.2052 1938.6182 101.9916 -207111.7007 18281.4001 0.0000 0.0000 34313.9642 -149675.4500 299.6724 -183989.4142 -149578.3642 297.8873 176.9856 212.5547 556079.1230 -13.2306 -13.1746 PRESSURE: 3105200 -162.756 -13.6723 50.2459 -13.6731 -13.6288 158.191 50.2455 158.19 -226.951 GPRESSURE: 3105200 -108.907 42.707 81.1582 17.8428 19.6468 135.716 -5.80257 176.503 -222.57 PRESSAVG: 3105200 -28.3769 40.6282 70.043 40.6281 81.0832 19.4907 70.043 19.4908 -16.1576 GPRESSAVG: 3105200 -27.4691 41.6438 72.3428 39.4622 80.5024 18.7299 68.5105 18.7542 -16.5875 TIMING: 3105200 CPU: 8999.38, 0.00291215/step Wall: 8999.38, 0.00291215/step, 1.53276 hours remaining, 209.691406 MB of memory in use. ENERGY: 3105200 713.5865 2095.2820 1944.3882 119.7148 -205922.0903 17613.7320 0.0000 0.0000 33966.5169 -149468.8699 296.6380 -183435.3868 -149372.1421 298.5109 -134.4452 -103.9432 558021.7144 12.1829 12.1486 PRESSURE: 3105400 -97.6606 -198.954 -20.5619 -198.953 -246.71 103.265 -20.5624 103.263 -52.9457 GPRESSURE: 3105400 17.3753 -224.432 2.77335 -244.296 -279.615 49.7159 -4.20353 153.909 -40.5971 PRESSAVG: 3105400 65.5579 -35.5084 38.8731 -35.5084 -11.9899 35.4594 38.8731 35.4593 -44.9504 GPRESSAVG: 3105400 66.0908 -37.4236 35.2778 -34.6768 -10.8762 33.6202 39.5645 37.371 -46.4983 TIMING: 3105400 CPU: 8999.96, 0.00288104/step Wall: 8999.96, 0.00288104/step, 1.51623 hours remaining, 209.691406 MB of memory in use. ENERGY: 3105400 765.1052 2060.9389 1937.8428 111.4867 -206205.8831 17610.8877 0.0000 0.0000 34216.9496 -149502.6723 298.8251 -183719.6219 -149411.3510 298.6886 -132.4389 -100.9456 556347.2335 2.8725 2.9054 PRESSURE: 3105600 12.5904 1.86592 -56.81 1.86719 -262.121 256.993 -56.8094 256.993 205.481 GPRESSURE: 3105600 44.3046 -3.81897 11.3415 25.4974 -226.722 264.341 -72.3035 180.916 249.273 PRESSAVG: 3105600 -21.6012 -16.3931 37.6977 -16.3931 -52.9106 9.75345 37.6978 9.75334 27.3381 GPRESSAVG: 3105600 -22.0211 -14.9557 40.305 -16.9427 -53.8386 9.79523 37.8501 8.97533 29.2972 TIMING: 3105600 CPU: 9000.53, 0.00288468/step Wall: 9000.53, 0.00288468/step, 1.51798 hours remaining, 209.894531 MB of memory in use. ENERGY: 3105600 771.9638 2081.3925 1960.2989 103.7798 -206133.1888 17838.1386 0.0000 0.0000 33971.8153 -149405.8000 296.6843 -183377.6153 -149304.1275 297.9885 -14.6834 22.2853 556370.5574 -15.7246 -15.5208 PRESSURE: 3105800 222.19 -30.3182 -7.90745 -30.3176 -273.253 86.2188 -7.90667 86.2202 30.6157 GPRESSURE: 3105800 232.292 -90.2997 37.8473 23.6042 -251.234 138.352 -50.8277 35.6664 99.1971 PRESSAVG: 3105800 62.5945 23.612 -14.6725 23.6119 -9.40282 -76.193 -14.6727 -76.1929 0.0743126 GPRESSAVG: 3105800 63.037 22.6617 -16.725 23.928 -9.28872 -76.5033 -13.5037 -76.9938 -0.601996 TIMING: 3105800 CPU: 9001.11, 0.00287557/step Wall: 9001.11, 0.00287557/step, 1.51303 hours remaining, 209.894531 MB of memory in use. ENERGY: 3105800 723.5568 2100.7242 1933.9767 113.8081 -206198.1342 17762.4052 0.0000 0.0000 34115.1980 -149448.4653 297.9365 -183563.6633 -149352.9762 297.8564 -6.8156 26.7516 555520.6265 17.7553 17.7154 PRESSURE: 3106000 -199.937 -26.2934 184.88 -26.2948 -284.831 33.7007 184.878 33.7002 -143.55 GPRESSURE: 3106000 -136.113 -27.6987 124.893 -115.539 -254.23 6.3586 156.94 -10.0587 -124.792 PRESSAVG: 3106000 -18.4661 -21.6229 51.2703 -21.6231 36.2083 -41.2813 51.2704 -41.2813 -38.3403 GPRESSAVG: 3106000 -18.2466 -18.8005 51.4928 -22.5625 35.9123 -37.6004 51.1341 -41.7309 -38.4535 TIMING: 3106000 CPU: 9001.68, 0.00286194/step Wall: 9001.68, 0.00286194/step, 1.5057 hours remaining, 209.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3106000 788.6887 2130.0046 1912.2769 109.4923 -206291.7122 17644.5832 0.0000 0.0000 34180.9705 -149525.6961 298.5109 -183706.6666 -149434.1737 297.9910 -209.4392 -171.7118 557088.7269 -6.8660 -6.9293 PRESSURE: 3106200 -68.357 96.5331 -85.5801 96.5324 65.7215 130.755 -85.581 130.753 -97.843 GPRESSURE: 3106200 -2.38679 57.191 -52.8659 92.5282 128.201 100.049 -152.626 90.3214 -116.554 PRESSAVG: 3106200 -37.0541 9.47664 38.4279 9.4766 15.398 40.1604 38.428 40.1604 -18.8967 GPRESSAVG: 3106200 -38.2857 6.6819 36.0386 10.4921 16.0277 37.3581 38.3672 41.1476 -18.4548 TIMING: 3106200 CPU: 9002.25, 0.00287433/step Wall: 9002.25, 0.00287433/step, 1.51206 hours remaining, 210.097656 MB of memory in use. ENERGY: 3106200 749.3069 2104.5104 1926.7310 121.6131 -206473.8414 17757.9237 0.0000 0.0000 34176.7643 -149636.9919 298.4742 -183813.7562 -149544.0794 298.0708 -33.4928 3.0866 555314.1559 -13.5176 -13.5709 PRESSURE: 3106400 -24.2755 243.334 194.719 243.334 -375.261 -204.313 194.719 -204.314 -365.295 GPRESSURE: 3106400 -31.2656 183.859 220.475 178.277 -306.517 -127.184 113.674 -202.229 -317.293 PRESSAVG: 3106400 -56.8882 47.3991 46.7726 47.3991 21.521 14.6946 46.7727 14.6945 21.4919 GPRESSAVG: 3106400 -56.5533 46.6301 49.8265 48.6719 20.7532 15.3294 45.6928 14.0903 21.7398 TIMING: 3106400 CPU: 9002.83, 0.00288535/step Wall: 9002.83, 0.00288535/step, 1.5177 hours remaining, 210.097656 MB of memory in use. ENERGY: 3106400 733.9730 2053.1897 1950.9161 108.4436 -205853.8301 17345.0905 0.0000 0.0000 34163.4816 -149498.7356 298.3582 -183662.2171 -149398.0376 298.2750 -254.9437 -218.3583 556912.8252 -4.6251 -4.6868 PRESSURE: 3106600 83.4225 47.0141 113.501 47.0151 -34.7697 -48.6385 113.501 -48.6374 -113.416 GPRESSURE: 3106600 109.842 78.4694 11.7174 17.6957 69.3013 -138.142 212.039 -39.9909 -132.812 PRESSAVG: 3106600 29.204 1.20713 -4.27467 1.207 -28.9344 -12.819 -4.27479 -12.819 -26.0899 GPRESSAVG: 3106600 28.3065 2.5363 -5.38517 0.0491373 -28.7905 -13.0424 -5.2862 -11.9177 -25.9095 TIMING: 3106600 CPU: 9003.4, 0.00286247/step Wall: 9003.4, 0.00286247/step, 1.5055 hours remaining, 210.097656 MB of memory in use. ENERGY: 3106600 746.9641 2067.9605 1944.9234 105.5246 -206499.0960 17861.5962 0.0000 0.0000 34155.5632 -149616.5642 298.2890 -183772.1274 -149520.1611 297.3656 -21.5877 15.4438 555295.8571 -8.6068 -8.7979 PRESSURE: 3106800 -65.8455 -66.4359 151.749 -66.4375 54.6016 -95.9978 151.75 -95.9979 39.4864 GPRESSURE: 3106800 -33.7293 -26.0341 173.907 -64.4546 67.8161 -96.9569 102.31 -62.7705 86.21 PRESSAVG: 3106800 -26.4357 1.51909 14.499 1.51916 -28.8745 -43.3409 14.4989 -43.341 17.6286 GPRESSAVG: 3106800 -26.6891 2.63865 15.8258 1.63239 -28.8119 -43.2832 15.2669 -43.1447 17.7545 TIMING: 3106800 CPU: 9003.98, 0.00287696/step Wall: 9003.98, 0.00287696/step, 1.51296 hours remaining, 210.097656 MB of memory in use. ENERGY: 3106800 733.8010 2058.8926 1940.8248 106.3174 -206614.9324 17993.7852 0.0000 0.0000 34155.8941 -149625.4172 298.2919 -183781.3114 -149518.6855 298.1580 9.4142 40.0989 558010.3124 -12.5605 -12.5822 PRESSURE: 3107000 30.9909 -80.8813 -102.541 -80.8817 -98.3362 -146.532 -102.541 -146.533 -89.953 GPRESSURE: 3107000 84.0611 -19.5289 -103.276 -31.0482 -96.9132 -104.863 -106.979 -72.4908 -34.3512 PRESSAVG: 3107000 20.6235 -19.5464 -28.6164 -19.5464 24.1925 -7.46513 -28.6164 -7.46523 -16.9456 GPRESSAVG: 3107000 20.7029 -22.0702 -30.3022 -19.1754 23.3794 -7.69915 -28.2853 -6.05079 -16.1468 TIMING: 3107000 CPU: 9004.55, 0.00287396/step Wall: 9004.55, 0.00287396/step, 1.51123 hours remaining, 210.097656 MB of memory in use. ENERGY: 3107000 749.0937 2098.3015 1949.5537 101.8248 -206187.1610 17820.7470 0.0000 0.0000 34055.4156 -149412.2248 297.4144 -183467.6404 -149316.4791 298.1939 -52.4328 -15.7344 557574.4100 9.2901 9.3118 PRESSURE: 3107200 31.073 -27.5506 -57.9576 -27.549 37.5079 -0.843889 -57.9563 -0.844204 -252.911 GPRESSURE: 3107200 28.407 -162.608 17.7914 -61.0818 66.0328 -9.57174 -89.8312 -4.66242 -193.305 PRESSAVG: 3107200 62.3631 -48.969 -22.4186 -48.969 -28.2284 0.901332 -22.4184 0.901251 -45.807 GPRESSAVG: 3107200 62.7963 -48.2831 -21.2325 -49.9534 -28.4729 2.10435 -23.2659 0.493423 -46.036 TIMING: 3107200 CPU: 9005.13, 0.00287441/step Wall: 9005.13, 0.00287441/step, 1.5113 hours remaining, 210.097656 MB of memory in use. ENERGY: 3107200 686.4978 2098.2080 1958.3846 121.5435 -206276.0454 17807.3602 0.0000 0.0000 34113.0241 -149491.0273 297.9175 -183604.0514 -149393.0970 298.3903 -61.4433 -32.9551 558864.3170 -3.8908 -3.9042 PRESSURE: 3107400 -104.104 -80.609 -5.53544 -80.6098 104.773 82.8496 -5.53429 82.8501 -106.84 GPRESSURE: 3107400 -88.2959 -57.461 -54.5731 -98.6628 165.889 87.7417 -17.9843 93.9098 -91.5362 PRESSAVG: 3107400 2.41309 17.4181 -20.744 17.4181 87.2834 -15.7631 -20.7439 -15.7631 -49.1198 GPRESSAVG: 3107400 1.59115 18.454 -20.651 18.0528 87.9803 -16.5045 -19.594 -14.8497 -49.0062 TIMING: 3107400 CPU: 9005.71, 0.00288605/step Wall: 9005.71, 0.00288605/step, 1.51726 hours remaining, 210.097656 MB of memory in use. ENERGY: 3107400 695.4542 2127.7431 1917.9682 109.6851 -206398.8524 17907.1952 0.0000 0.0000 34138.7700 -149502.0367 298.1424 -183640.8066 -149403.3203 297.1813 -35.3902 -4.6477 558764.0987 13.5256 13.5217 PRESSURE: 3107600 -180.208 -76.6655 -5.38352 -76.6648 140.786 54.8212 -5.38439 54.822 -9.71694 GPRESSURE: 3107600 -117.557 -104.559 -4.13159 -63.1509 183.809 83.2215 39.4399 58.2283 -3.15828 PRESSAVG: 3107600 -25.2143 -38.7703 -8.43514 -38.7703 -7.42592 48.4429 -8.4351 48.4429 43.9197 GPRESSAVG: 3107600 -23.8105 -40.3484 -8.0029 -39.1342 -8.27284 48.8047 -7.74278 47.8352 43.231 TIMING: 3107600 CPU: 9006.29, 0.0029007/step Wall: 9006.29, 0.0029007/step, 1.5248 hours remaining, 210.097656 MB of memory in use. ENERGY: 3107600 763.1309 2046.8960 1943.7478 113.4836 -206526.5403 17897.6535 0.0000 0.0000 34184.4600 -149577.1684 298.5414 -183761.6285 -149481.8446 298.0433 -16.3797 21.0313 555799.1356 3.7598 3.7159 PRESSURE: 3107800 -194.732 -114.208 -40.7292 -114.207 57.6763 73.6047 -40.7286 73.6065 -459.197 GPRESSURE: 3107800 -95.7012 -201.507 -103.505 -56.3273 41.7565 100.441 -68.31 74.6239 -430.136 PRESSAVG: 3107800 11.4468 -60.5304 -43.0268 -60.5305 41.3833 15.8342 -43.0268 15.8342 -86.2022 GPRESSAVG: 3107800 11.6161 -60.1242 -44.1926 -58.7651 41.8612 15.1993 -42.7616 15.084 -86.4834 TIMING: 3107800 CPU: 9006.86, 0.00288822/step Wall: 9006.86, 0.00288822/step, 1.51808 hours remaining, 210.097656 MB of memory in use. ENERGY: 3107800 726.6633 2058.7338 1963.7652 119.2947 -206065.4632 17484.5936 0.0000 0.0000 34207.0132 -149505.3992 298.7384 -183712.4125 -149408.6488 298.0064 -198.7512 -161.3601 557225.0907 -11.1241 -11.0020 PRESSURE: 3108000 -191.468 -178.911 -69.5197 -178.911 -22.8665 60.7992 -69.5198 60.7991 -290.479 GPRESSURE: 3108000 -151.491 -146.056 -50.7313 -254.117 35.4295 111.552 -76.9851 59.7798 -283.938 PRESSAVG: 3108000 63.3278 -11.9175 -35.0248 -11.9175 47.3488 65.8316 -35.0248 65.8317 -119.428 GPRESSAVG: 3108000 62.896 -10.3934 -35.8377 -14.1083 47.0039 66.4462 -36.106 65.1005 -118.762 TIMING: 3108000 CPU: 9007.45, 0.00291187/step Wall: 9007.45, 0.00291187/step, 1.53035 hours remaining, 210.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3108000 753.5015 2111.1449 1977.3842 105.9842 -206055.7716 17643.2307 0.0000 0.0000 34155.0133 -149309.5127 298.2842 -183464.5260 -149211.7084 298.5924 -168.2711 -133.3332 556376.3490 -2.9172 -2.9539 PRESSURE: 3108200 -251.119 -62.9788 -212.002 -62.9798 -17.4943 -12.1628 -212.002 -12.1621 -113.021 GPRESSURE: 3108200 -210.834 70.2843 -245.534 -149.031 20.1938 -27.9967 -177.254 11.0937 -105.007 PRESSAVG: 3108200 10.5979 5.90279 -66.4401 5.90272 -7.71856 15.3223 -66.4401 15.3222 17.5549 GPRESSAVG: 3108200 10.9622 6.64866 -65.2359 5.26294 -7.50579 13.8284 -67.3914 18.1209 16.8754 TIMING: 3108200 CPU: 9008.03, 0.00289982/step Wall: 9008.03, 0.00289982/step, 1.52386 hours remaining, 210.097656 MB of memory in use. ENERGY: 3108200 755.5564 2151.3242 1962.3808 120.4379 -205983.6882 17767.0903 0.0000 0.0000 34205.9573 -149020.9413 298.7291 -183226.8986 -148926.4074 299.1522 -127.2115 -98.5491 557812.1298 6.8114 6.7773 LDB: ============= START OF LOAD BALANCING ============== 9011.41 LDB: ============== END OF LOAD BALANCING =============== 9011.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9011.41 LDB: ============= START OF LOAD BALANCING ============== 9011.7 LDB: Largest compute 4800 load 0.022012 is 18.7% of average load 0.117930 LDB: Average compute 0.001734 is 1.5% of average load 0.117930 LDB: TIME 9011.7 LOAD: AVG 0.11793 MAX 0.178951 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.438 MB LDB: TIME 9011.7 LOAD: AVG 0.11793 MAX 0.178951 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.465 MB LDB: TIME 9011.7 LOAD: AVG 0.11793 MAX 0.178951 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.465 MB LDB: ============== END OF LOAD BALANCING =============== 9011.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9011.71 PRESSURE: 3108400 219.65 108.383 -95.507 108.383 269.031 147.351 -95.5066 147.35 -145.434 GPRESSURE: 3108400 256.225 14.9794 -33.026 131.292 260.144 157.815 -35.2103 204.796 -88.1718 PRESSAVG: 3108400 -12.6245 -41.1012 -9.23129 -41.1012 -0.989809 -0.721453 -9.23118 -0.721473 33.7017 GPRESSAVG: 3108400 -13.348 -41.1693 -9.52554 -40.5454 -0.47783 0.551553 -7.66202 -1.7855 34.0594 TIMING: 3108400 CPU: 9008.61, 0.0029368/step Wall: 9008.61, 0.0029368/step, 1.54312 hours remaining, 209.945312 MB of memory in use. ENERGY: 3108400 729.2781 2102.9238 1961.9745 131.3029 -206247.9082 18081.1292 0.0000 0.0000 34219.1615 -149022.1381 298.8444 -183241.2996 -148926.9277 300.0907 114.4158 142.7322 556216.2501 6.6958 6.7445 PRESSURE: 3108600 77.6223 34.8774 -22.4229 34.8774 42.1747 -23.6324 -22.4229 -23.6337 109.825 GPRESSURE: 3108600 129.821 115.23 57.4806 -122.143 68.7987 -61.0945 -47.5723 -11.3495 109.787 PRESSAVG: 3108600 44.3324 67.8943 -28.8898 67.8943 -27.14 1.88573 -28.8899 1.88575 7.27761 GPRESSAVG: 3108600 44.2427 66.4487 -27.9856 68.1259 -27.0974 2.22674 -29.7578 1.70341 7.1513 TIMING: 3108600 CPU: 9009.19, 0.00287715/step Wall: 9009.19, 0.00287715/step, 1.51162 hours remaining, 209.945312 MB of memory in use. ENERGY: 3108600 768.5176 2098.4430 1957.6200 111.2615 -205991.1929 17852.1749 0.0000 0.0000 34166.0945 -149037.0814 298.3810 -183203.1759 -148944.8798 299.5322 76.5405 102.8023 557627.0326 8.1567 8.0989 PRESSURE: 3108800 36.5296 -10.8539 -62.2093 -10.8529 -141.883 218.546 -62.2103 218.546 -277.129 GPRESSURE: 3108800 68.7688 8.64238 -32.8695 -27.0146 -108.938 211.393 -77.1137 162.843 -236.877 PRESSAVG: 3108800 -6.19019 7.72006 -20.3312 7.72005 9.42767 11.5048 -20.3313 11.5049 -36.8162 GPRESSAVG: 3108800 -6.08335 6.38011 -19.9565 9.16666 9.23622 11.2861 -20.4215 11.9775 -36.6386 TIMING: 3108800 CPU: 9009.77, 0.00290435/step Wall: 9009.77, 0.00290435/step, 1.52575 hours remaining, 209.945312 MB of memory in use. ENERGY: 3108800 749.2423 2061.3337 1937.3542 113.2581 -205781.9767 17545.9485 0.0000 0.0000 34452.5432 -148922.2966 300.8826 -183374.8398 -148823.0816 299.3901 -127.4939 -92.3488 558018.1095 -11.1929 -11.1619 PRESSURE: 3109000 -321.21 78.2228 -33.2066 78.2233 -56.2032 -106.317 -33.2074 -106.315 -126.952 GPRESSURE: 3109000 -334.707 74.1066 -24.7812 84.7469 -38.8267 -109.219 -11.2998 -98.2795 -32.5709 PRESSAVG: 3109000 4.41955 44.9764 -37.7754 44.9763 7.61879 -2.22152 -37.7754 -2.22145 -32.0563 GPRESSAVG: 3109000 6.43142 45.1504 -36.9254 45.1818 6.44354 -1.35935 -36.412 -3.9142 -32.3598 TIMING: 3109000 CPU: 9010.35, 0.00290832/step Wall: 9010.35, 0.00290832/step, 1.52768 hours remaining, 209.945312 MB of memory in use. ENERGY: 3109000 761.5778 2148.2322 1936.4460 106.7404 -205623.5587 17430.1986 0.0000 0.0000 34400.4342 -148839.9293 300.4275 -183240.3636 -148733.1345 300.7310 -168.1216 -135.3681 556652.1122 -6.6726 -6.4950 PRESSURE: 3109200 -344.798 135.724 183.27 135.725 90.1565 28.576 183.268 28.5774 147.739 GPRESSURE: 3109200 -345.526 177.934 236.954 176.938 132.267 44.6161 200.752 111.095 205.634 PRESSAVG: 3109200 -37.0834 46.6606 -4.07863 46.6606 9.98778 23.8439 -4.07868 23.8441 -27.0539 GPRESSAVG: 3109200 -39.2957 47.872 -4.8849 45.4943 11.739 22.055 -6.12771 25.4294 -25.8721 TIMING: 3109200 CPU: 9010.93, 0.00288809/step Wall: 9010.93, 0.00288809/step, 1.51689 hours remaining, 209.945312 MB of memory in use. ENERGY: 3109200 787.1038 2090.4591 1986.6685 109.4600 -205748.5849 17713.7903 0.0000 0.0000 34214.2301 -148846.8730 298.8014 -183061.1032 -148757.6147 299.9085 -35.6343 -2.5415 557017.2391 -18.0498 -17.8096 PRESSURE: 3109400 -11.7809 73.8003 156.752 73.7997 -21.9337 -91.7753 156.753 -91.7761 -10.0208 GPRESSURE: 3109400 -5.18375 140.409 141.185 80.8982 60.01 -60.8964 96.565 -91.5351 1.93508 PRESSAVG: 3109400 -41.1604 -17.5864 37.7659 -17.5864 66.5725 -23.5054 37.7659 -23.5055 15.3072 GPRESSAVG: 3109400 -39.8283 -17.5641 37.5398 -16.5531 67.4577 -23.2384 39.2709 -23.8414 13.5608 TIMING: 3109400 CPU: 9011.51, 0.00288053/step Wall: 9011.51, 0.00288053/step, 1.51276 hours remaining, 209.945312 MB of memory in use. ENERGY: 3109400 726.4171 2141.2802 1980.4576 126.6651 -205919.1321 17623.3444 0.0000 0.0000 34486.1170 -148834.8507 301.1758 -183320.9676 -148734.6210 300.8115 -14.5785 18.9204 555898.7605 13.5731 13.7301 PRESSURE: 3109600 29.7797 -129.169 -66.4437 -129.169 -9.1953 21.909 -66.4438 21.9097 -98.1319 GPRESSURE: 3109600 84.8764 -12.4253 -129.939 -177.43 5.39952 -29.2032 -73.3977 60.0197 -66.9806 PRESSAVG: 3109600 -9.30459 17.302 -2.1179 17.3021 -4.14636 -5.96218 -2.11787 -5.96216 -36.9637 GPRESSAVG: 3109600 -10.119 17.6029 -1.4428 16.4837 -6.33955 -5.03522 -4.49136 -5.63804 -34.4049 TIMING: 3109600 CPU: 9012.08, 0.00287935/step Wall: 9012.08, 0.00287935/step, 1.51198 hours remaining, 210.226562 MB of memory in use. ENERGY: 3109600 786.6469 2073.1792 1965.0336 104.6508 -205816.7300 17670.9538 0.0000 0.0000 34411.9071 -148804.3585 300.5277 -183216.2656 -148708.7200 300.6840 -25.8492 7.7651 557040.9429 -16.8049 -16.9545 PRESSURE: 3109800 -48.8875 66.392 147.353 66.3917 136.575 134.269 147.352 134.27 13.8697 GPRESSURE: 3109800 -57.0951 60.0421 186.532 75.916 232.156 134.782 95.2398 184.537 25.828 PRESSAVG: 3109800 -29.6878 48.7961 23.4712 48.7962 98.9105 50.4871 23.4712 50.4871 -46.6095 GPRESSAVG: 3109800 -29.2588 50.396 22.1802 47.418 100.74 48.733 24.7202 50.5577 -48.9094 TIMING: 3109800 CPU: 9012.65, 0.00286506/step Wall: 9012.65, 0.00286506/step, 1.50431 hours remaining, 210.226562 MB of memory in use. ENERGY: 3109800 773.2780 2114.5465 1925.0519 113.3072 -206321.7273 17925.7260 0.0000 0.0000 34549.1680 -148920.6497 301.7265 -183469.8177 -148826.4599 300.1581 33.8524 66.9630 558161.7341 7.5377 7.5241 PRESSURE: 3110000 161.103 126.647 122.595 126.647 300.252 56.5358 122.595 56.5338 -37.6763 GPRESSURE: 3110000 125.681 198.298 89.2613 88.0692 393.8 24.5045 236.472 51.9234 -1.85998 PRESSAVG: 3110000 2.90021 22.5086 -8.88476 22.5085 38.173 51.4694 -8.8847 51.4694 -50.0415 GPRESSAVG: 3110000 2.2859 20.4373 -7.44569 22.4808 38.0793 53.3055 -7.8514 49.3504 -49.5337 TIMING: 3110000 CPU: 9013.23, 0.00288203/step Wall: 9013.23, 0.00288203/step, 1.51306 hours remaining, 210.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3110000 717.5855 2094.6608 1935.5905 115.6411 -206072.9485 17852.8913 0.0000 0.0000 34476.0788 -148880.5005 301.0882 -183356.5793 -148781.2787 300.3778 141.2262 172.5404 557030.9215 -2.9894 -3.0561 PRESSURE: 3110200 33.6331 50.7703 -223.041 50.77 81.3067 -41.8805 -223.04 -41.8809 -96.0367 GPRESSURE: 3110200 39.7573 20.9283 -328.155 67.6774 181.843 -55.5347 -163.987 -124.73 -112.243 PRESSAVG: 3110200 56.9752 9.99556 -27.326 9.99544 49.9503 -6.5118 -27.326 -6.51182 -64.7377 GPRESSAVG: 3110200 56.9061 9.69216 -26.326 10.7337 49.5153 -8.25995 -28.1095 -5.00478 -64.3485 TIMING: 3110200 CPU: 9013.81, 0.00289692/step Wall: 9013.81, 0.00289692/step, 1.52072 hours remaining, 210.226562 MB of memory in use. ENERGY: 3110200 754.7609 2154.2507 1975.9707 109.9171 -205847.6103 17686.5491 0.0000 0.0000 34255.3659 -148910.7958 299.1606 -183166.1617 -148823.4199 300.3810 6.3010 36.4525 558314.4982 14.0626 14.0243 PRESSURE: 3110400 162.349 44.8292 -35.9632 44.8292 -96.2325 -44.6957 -35.9626 -44.6956 11.7074 GPRESSURE: 3110400 162.447 23.0647 -61.5043 5.6921 -10.9997 -25.4856 -26.898 -44.7076 21.9124 PRESSAVG: 3110400 38.2367 -3.28419 2.92117 -3.28418 27.0426 -20.9372 2.92107 -20.937 -7.26263 GPRESSAVG: 3110400 37.987 -2.40242 3.37435 -3.84222 26.486 -19.2629 3.92557 -20.3696 -6.85248 TIMING: 3110400 CPU: 9014.39, 0.0028823/step Wall: 9014.39, 0.0028823/step, 1.51289 hours remaining, 210.484375 MB of memory in use. ENERGY: 3110400 772.8107 2108.0331 1968.8764 113.9782 -206270.2898 17930.3222 0.0000 0.0000 34222.2162 -149154.0531 298.8711 -183376.2693 -149055.7810 299.0127 25.9413 57.7865 559077.3325 19.3389 19.2069 PRESSURE: 3110600 -69.6785 -29.6428 -64.7606 -29.6434 87.5919 67.614 -64.7615 67.6152 -47.5821 GPRESSURE: 3110600 -45.201 -45.9183 -16.8646 17.2113 73.7951 66.4511 -50.8253 181.68 48.9808 PRESSAVG: 3110600 23.0828 15.0377 -0.477257 15.0375 -46.3237 -16.4055 -0.47715 -16.4054 -27.8609 GPRESSAVG: 3110600 24.5898 13.0649 -0.495208 14.8992 -47.3643 -15.9291 -2.67134 -15.5523 -28.5204 TIMING: 3110600 CPU: 9014.96, 0.00288589/step Wall: 9014.96, 0.00288589/step, 1.51461 hours remaining, 210.484375 MB of memory in use. ENERGY: 3110600 731.7754 2116.4244 1967.7499 133.0883 -206640.1407 17968.9085 0.0000 0.0000 34371.0008 -149351.1934 300.1705 -183722.1942 -149255.1439 298.8648 -9.8896 25.8583 558372.8525 -17.0340 -17.0983 PRESSURE: 3110800 -102.565 -62.8987 -18.3518 -62.8977 14.8876 133.479 -18.3524 133.478 -141.144 GPRESSURE: 3110800 -107.032 -59.1641 1.14288 -62.1296 67.5876 85.4778 -31.5243 77.7342 -97.7087 PRESSAVG: 3110800 1.15498 -11.5206 13.8817 -11.5206 28.7952 -52.891 13.8817 -52.891 -71.2394 GPRESSAVG: 3110800 -0.676348 -9.41989 12.1727 -9.76084 29.3953 -54.1667 16.8353 -54.0749 -70.5816 TIMING: 3110800 CPU: 9015.55, 0.00291347/step Wall: 9015.55, 0.00291347/step, 1.52892 hours remaining, 210.484375 MB of memory in use. ENERGY: 3110800 750.6269 2091.9105 1975.7814 112.3960 -206601.3166 18002.9802 0.0000 0.0000 34376.3514 -149291.2703 300.2172 -183667.6217 -149198.9503 299.2352 -76.2737 -45.7176 559892.7302 -13.7631 -13.9542 PRESSURE: 3111000 316.586 -104.8 -93.0236 -104.801 33.3089 -209.143 -93.0232 -209.143 101.943 GPRESSURE: 3111000 370.305 -137.021 -100.282 -84.0519 129.081 -254.322 -129.501 -178.21 56.9609 PRESSAVG: 3111000 -102.588 21.8523 -1.44353 21.8524 -17.9682 -12.2601 -1.44353 -12.2599 91.4684 GPRESSAVG: 3111000 -101.384 21.2013 -0.183136 19.8755 -19.1324 -13.16 -4.66632 -12.5453 91.3191 TIMING: 3111000 CPU: 9016.13, 0.002904/step Wall: 9016.13, 0.002904/step, 1.52379 hours remaining, 210.484375 MB of memory in use. ENERGY: 3111000 698.8432 2134.1754 1977.2471 104.2045 -206439.7921 18018.6339 0.0000 0.0000 34240.9940 -149265.6939 299.0351 -183506.6880 -149167.3609 298.9003 150.6126 185.4489 557852.3353 -9.6961 -9.7326 PRESSURE: 3111200 278.751 115.623 21.3068 115.624 -56.3338 -248.741 21.3062 -248.741 119.505 GPRESSURE: 3111200 246.224 78.5244 -41.662 63.198 18.1239 -222.82 84.01 -221.854 165.056 PRESSAVG: 3111200 -100.872 55.8782 -11.3323 55.878 -25.5182 -69.0474 -11.3323 -69.0473 84.7953 GPRESSAVG: 3111200 -102.042 56.3987 -12.1526 56.8193 -25.5162 -69.3078 -10.7553 -67.8246 86.3807 TIMING: 3111200 CPU: 9016.7, 0.00287967/step Wall: 9016.7, 0.00287967/step, 1.51087 hours remaining, 210.484375 MB of memory in use. ENERGY: 3111200 722.7249 2086.4696 1963.2185 98.3705 -206064.6608 17841.0355 0.0000 0.0000 34040.1379 -149312.7039 297.2810 -183352.8418 -149221.2661 298.7353 113.9742 143.1347 557264.6173 -13.8650 -13.7257 PRESSURE: 3111400 296.077 16.2829 -18.6763 16.2839 -57.6043 -107.949 -18.6776 -107.948 124.215 GPRESSURE: 3111400 240.029 8.83101 -65.3329 15.2721 -4.06486 -109.068 48.7961 -110.61 206.069 PRESSAVG: 3111400 24.7313 40.1575 35.4914 40.1575 -75.1805 -29.8074 35.4914 -29.8073 39.2022 GPRESSAVG: 3111400 25.6132 40.108 35.2366 41.4903 -73.0552 -29.092 36.3791 -31.1235 36.2667 TIMING: 3111400 CPU: 9017.28, 0.00289804/step Wall: 9017.28, 0.00289804/step, 1.52034 hours remaining, 210.484375 MB of memory in use. ENERGY: 3111400 760.9116 2187.1946 1934.9953 103.3764 -206718.3645 18065.5646 0.0000 0.0000 34221.4726 -149444.8493 298.8646 -183666.3218 -149352.9158 298.7328 120.8961 147.3444 556681.9314 -3.7490 -3.7251 PRESSURE: 3111600 78.381 65.9957 48.632 65.9964 267.826 -43.4585 48.6313 -43.4582 309.018 GPRESSURE: 3111600 75.3002 8.71626 22.2345 79.4093 296.474 -111.709 22.267 -4.36223 392.919 PRESSAVG: 3111600 -8.11876 -2.51288 -3.81799 -2.51292 57.8109 3.06352 -3.81799 3.06355 -13.0126 GPRESSAVG: 3111600 -7.68785 -3.30479 -3.0729 -2.8194 56.9266 1.84643 -2.87132 2.71205 -12.236 TIMING: 3111600 CPU: 9017.86, 0.00287794/step Wall: 9017.86, 0.00287794/step, 1.50964 hours remaining, 210.484375 MB of memory in use. ENERGY: 3111600 729.4381 2105.8473 1949.8609 122.6574 -206652.0810 18147.0935 0.0000 0.0000 34213.2465 -149383.9372 298.7928 -183597.1837 -149291.9457 299.3257 218.4082 254.8980 556106.1695 12.2265 12.3343 PRESSURE: 3111800 -50.9478 137.04 -32.0194 137.04 43.5137 -58.8549 -32.0191 -58.8547 -98.4579 GPRESSURE: 3111800 -31.0567 110.045 -61.3413 75.9328 68.0338 -37.3963 -40.7502 -83.6942 -55.948 PRESSAVG: 3111800 -41.1929 6.04115 -70.396 6.04122 52.2623 -30.3781 -70.3959 -30.3781 -26.3426 GPRESSAVG: 3111800 -41.8301 4.65662 -70.9336 6.13041 52.503 -29.8963 -71.5842 -30.7175 -26.2429 TIMING: 3111800 CPU: 9018.43, 0.00287525/step Wall: 9018.43, 0.00287525/step, 1.50807 hours remaining, 210.484375 MB of memory in use. ENERGY: 3111800 754.4950 2097.3846 1984.2186 127.0695 -206265.9368 17779.9354 0.0000 0.0000 34184.1339 -149338.6998 298.5385 -183522.8336 -149247.2732 298.6834 -35.2973 -6.3236 558102.4368 -5.0911 -5.1900 PRESSURE: 3112000 -48.1299 57.4361 76.6023 57.436 117.511 -24.9842 76.6018 -24.9844 3.98766 GPRESSURE: 3112000 38.3685 124.792 82.7335 69.554 157.214 -24.9172 150.298 -16.0631 -19.1188 PRESSAVG: 3112000 79.5283 -10.6769 -52.4852 -10.6769 5.27952 -40.0741 -52.4851 -40.0741 -90.2098 GPRESSAVG: 3112000 79.5504 -9.84589 -54.0166 -9.74643 6.51494 -40.5571 -49.6648 -39.396 -91.0329 TIMING: 3112000 CPU: 9019.02, 0.00290912/step Wall: 9019.02, 0.00290912/step, 1.52567 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3112000 759.0435 2053.5692 1983.1922 118.7060 -206518.8640 18045.9207 0.0000 0.0000 34111.1598 -149447.2726 297.9012 -183558.4324 -149350.5069 299.2689 24.4564 58.8212 559107.9946 -1.8006 -1.6559 PRESSURE: 3112200 45.6398 -106.79 27.6815 -106.791 117.388 -65.9309 27.681 -65.9305 -22.5592 GPRESSURE: 3112200 94.0481 -48.4155 -12.6393 -157.944 152.672 -140.748 60.4261 -24.6423 -8.88787 PRESSAVG: 3112200 33.7917 31.1011 -76.3002 31.1011 9.44782 -3.7042 -76.3003 -3.7041 -40.0747 GPRESSAVG: 3112200 32.946 31.9964 -74.7255 30.5787 7.91391 -0.844742 -77.3352 -6.15954 -38.1124 TIMING: 3112200 CPU: 9019.6, 0.00290948/step Wall: 9019.6, 0.00290948/step, 1.5257 hours remaining, 210.484375 MB of memory in use. ENERGY: 3112200 729.9480 2103.4725 1946.7510 123.6107 -206552.9256 18024.0384 0.0000 0.0000 34278.8347 -149346.2703 299.3656 -183625.1050 -149249.4045 298.7132 46.8230 79.2774 557109.7671 1.0549 0.9158 LDB: ============= START OF LOAD BALANCING ============== 9022.98 LDB: ============== END OF LOAD BALANCING =============== 9022.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9022.99 LDB: ============= START OF LOAD BALANCING ============== 9023.28 LDB: Largest compute 4800 load 0.021454 is 18.2% of average load 0.117949 LDB: Average compute 0.001732 is 1.5% of average load 0.117949 LDB: TIME 9023.28 LOAD: AVG 0.117949 MAX 0.177883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.402 MB LDB: TIME 9023.28 LOAD: AVG 0.117949 MAX 0.177883 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: TIME 9023.28 LOAD: AVG 0.117949 MAX 0.177883 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9023.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9023.29 PRESSURE: 3112400 -95.0803 -135.107 10.5926 -135.107 -71.3795 -17.1769 10.5938 -17.1753 21.4572 GPRESSURE: 3112400 -56.4533 -114.681 -40.1536 -134.598 -95.4374 17.6254 67.9044 -16.5438 121.248 PRESSAVG: 3112400 16.9019 -23.1005 -39.8031 -23.1006 115.66 24.0927 -39.8032 24.0926 -82.0319 GPRESSAVG: 3112400 18.0737 -22.9031 -42.0902 -23.9893 115.033 23.7128 -41.6541 25.1281 -81.7796 TIMING: 3112400 CPU: 9020.19, 0.0029642/step Wall: 9020.19, 0.0029642/step, 1.55423 hours remaining, 209.179688 MB of memory in use. ENERGY: 3112400 732.9493 2071.4393 1972.5911 119.2216 -206232.6980 17892.0274 0.0000 0.0000 34092.2484 -149352.2207 297.7361 -183444.4692 -149261.8757 298.8576 -48.3342 -10.2141 558256.2914 16.8434 17.1092 PRESSURE: 3112600 124.248 -66.4547 -17.3518 -66.4536 -97.2251 -104.969 -17.352 -104.97 -226.013 GPRESSURE: 3112600 104.658 -11.3991 84.4355 -74.8413 -47.3225 -76.5627 -63.8409 -117.713 -166.636 PRESSAVG: 3112600 48.3234 37.2659 40.4974 37.2659 -8.85527 15.8774 40.4974 15.8774 -15.6094 GPRESSAVG: 3112600 47.4007 36.8888 41.6138 38.9745 -8.4606 15.66 43.6181 14.4316 -14.5834 TIMING: 3112600 CPU: 9020.77, 0.00288458/step Wall: 9020.77, 0.00288458/step, 1.51232 hours remaining, 209.179688 MB of memory in use. ENERGY: 3112600 774.9407 2068.9452 1947.6221 103.1651 -206683.1980 18095.8451 0.0000 0.0000 34237.1815 -149455.4984 299.0018 -183692.6798 -149363.3047 298.6970 -66.3301 -36.4338 557435.7312 7.9529 8.1189 PRESSURE: 3112800 -69.2776 5.60157 -57.2805 5.60018 51.3444 -5.10543 -57.2808 -5.10506 -118.21 GPRESSURE: 3112800 -4.44792 -6.05361 -145.838 -49.1875 47.465 -47.8962 -73.2886 26.5772 -79.7423 PRESSAVG: 3112800 72.8062 -16.37 40.0524 -16.37 -60.5645 -10.1903 40.0524 -10.1903 -30.7184 GPRESSAVG: 3112800 73.8207 -16.4301 40.7501 -17.6609 -60.5058 -11.6945 37.0741 -8.85519 -32.0941 TIMING: 3112800 CPU: 9021.34, 0.00287781/step Wall: 9021.34, 0.00287781/step, 1.50861 hours remaining, 209.179688 MB of memory in use. ENERGY: 3112800 691.6437 2110.8912 1963.1946 128.6358 -206283.8500 17672.8268 0.0000 0.0000 34354.3150 -149362.3428 300.0248 -183716.6578 -149267.0956 299.2279 -45.3812 -12.2417 556970.5292 -6.1589 -6.2597 PRESSURE: 3113000 -21.2725 55.426 6.11672 55.4262 -167.132 -8.21614 6.1168 -8.21876 106.726 GPRESSURE: 3113000 -1.33743 88.7585 -26.6971 84.7758 -156.482 11.0607 30.229 -4.23384 168.556 PRESSAVG: 3113000 6.04031 14.7794 53.3669 14.7795 42.7991 17.4797 53.3669 17.4797 -35.6874 GPRESSAVG: 3113000 5.86454 14.3369 52.6096 16.5775 44.4029 19.0085 54.2896 18.5144 -36.6647 TIMING: 3113000 CPU: 9021.92, 0.00290098/step Wall: 9021.92, 0.00290098/step, 1.5206 hours remaining, 209.179688 MB of memory in use. ENERGY: 3113000 717.0178 2081.7827 1959.5881 119.1668 -206312.1749 17760.1873 0.0000 0.0000 34382.8234 -149291.6089 300.2737 -183674.4323 -149196.5621 299.5876 -27.2261 3.5790 556691.7406 4.3840 4.5342 PRESSURE: 3113200 -102.198 -40.5099 155.288 -40.5124 -65.7334 -107.969 155.288 -107.97 59.0425 GPRESSURE: 3113200 -50.4772 -118.974 90.0887 19.6534 -7.80972 -93.8605 191.019 -1.58188 62.9711 PRESSAVG: 3113200 -51.4984 -11.6223 37.3749 -11.6223 -23.0849 -46.113 37.3749 -46.113 117.196 GPRESSAVG: 3113200 -51.5559 -13.17 38.5613 -11.8517 -24.3395 -46.3546 36.5619 -48.6298 118.663 TIMING: 3113200 CPU: 9022.49, 0.00285771/step Wall: 9022.49, 0.00285771/step, 1.49776 hours remaining, 209.179688 MB of memory in use. ENERGY: 3113200 748.1691 2093.6986 1955.8386 129.7487 -206184.9521 17760.5466 0.0000 0.0000 34256.3083 -149240.6423 299.1689 -183496.9506 -149140.4685 299.1398 -36.2963 1.5614 556798.9023 14.2042 14.2560 PRESSURE: 3113400 -7.49457 79.17 173.167 79.1699 -87.0294 -12.9873 173.166 -12.9891 99.3772 GPRESSURE: 3113400 102.583 136.875 102.839 44.8219 -33.4604 -49.761 95.5707 115.803 43.7272 PRESSAVG: 3113400 19.4456 -7.63017 63.4833 -7.63027 -42.9733 -4.73622 63.4834 -4.73622 3.70498 GPRESSAVG: 3113400 20.1063 -3.94491 62.0223 -10.3063 -42.4281 -4.84941 63.5937 -2.85324 2.45339 TIMING: 3113400 CPU: 9023.07, 0.00285852/step Wall: 9023.07, 0.00285852/step, 1.49803 hours remaining, 209.179688 MB of memory in use. ENERGY: 3113400 761.2824 2105.5256 1955.9074 120.6434 -206318.3488 17843.4882 0.0000 0.0000 34207.6561 -149323.8457 298.7440 -183531.5018 -149232.8808 299.4198 1.6178 37.6167 557364.2580 -6.6076 -6.6228 PRESSURE: 3113600 -15.2023 137.398 70.7674 137.399 -24.5901 143.863 70.7683 143.865 -78.2839 GPRESSURE: 3113600 59.8769 134.534 78.3182 119.316 -20.8278 178.047 12.2093 141.984 -56.1321 PRESSAVG: 3113600 25.4353 -1.67383 27.6463 -1.67391 -41.9348 13.8283 27.6464 13.8283 47.9805 GPRESSAVG: 3113600 24.1499 -2.01793 27.926 -2.1319 -41.636 14.474 27.4927 13.0824 48.6185 TIMING: 3113600 CPU: 9023.64, 0.00287707/step Wall: 9023.64, 0.00287707/step, 1.50758 hours remaining, 209.179688 MB of memory in use. ENERGY: 3113600 754.9457 2086.8975 1969.7517 106.5458 -206166.2604 17794.0590 0.0000 0.0000 34131.6432 -149322.4175 298.0801 -183454.0606 -149226.5128 298.5643 -39.3588 -5.6943 558282.0009 10.4937 10.3775 PRESSURE: 3113800 -138.272 -54.8904 61.9158 -54.8888 -237.326 84.4269 61.9161 84.4272 -117.387 GPRESSURE: 3113800 -76.395 -33.7913 19.5832 3.24791 -209.478 174.139 173.041 117.426 -100.399 PRESSAVG: 3113800 -55.6609 10.848 7.36257 10.8479 -54.765 16.0652 7.3625 16.065 69.2267 GPRESSAVG: 3113800 -55.6901 11.0842 9.12797 12.415 -55.9721 16.355 7.14043 17.0163 70.9492 TIMING: 3113800 CPU: 9024.21, 0.00286133/step Wall: 9024.21, 0.00286133/step, 1.49918 hours remaining, 209.179688 MB of memory in use. ENERGY: 3113800 748.2717 2077.0777 1940.8077 111.4081 -205990.8523 17605.2027 0.0000 0.0000 34431.6610 -149076.4233 300.7003 -183508.0843 -148981.9537 299.0035 -164.3280 -128.7575 557301.1075 -13.7331 -13.5710 PRESSURE: 3114000 -506.118 -139.556 115.676 -139.555 -111.132 22.9895 115.675 22.9896 -266.75 GPRESSURE: 3114000 -450.718 -71.9778 -0.953413 -220.601 -48.6042 81.9989 173.876 -34.4251 -296.463 PRESSAVG: 3114000 -9.04079 -17.1876 -13.3109 -17.1876 28.3566 23.2866 -13.3109 23.2866 25.0925 GPRESSAVG: 3114000 -9.308 -17.0059 -14.8811 -16.9397 28.9144 22.6629 -11.7065 24.1072 24.7236 TIMING: 3114000 CPU: 9024.79, 0.00288069/step Wall: 9024.79, 0.00288069/step, 1.50916 hours remaining, 209.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3114000 740.1632 2105.4185 1943.6050 104.2994 -205513.3498 17336.5281 0.0000 0.0000 34165.7934 -149117.5422 298.3784 -183283.3356 -149013.3970 299.7845 -294.6665 -265.2618 559655.0103 14.8028 14.7767 PRESSURE: 3114200 -21.2078 7.2477 74.3905 7.248 -23.8597 -54.0733 74.3911 -54.0721 182.075 GPRESSURE: 3114200 -80.6551 3.4556 139.049 -17.895 100.183 6.65079 69.1443 -107.474 214.126 PRESSAVG: 3114200 -51.3939 -32.2283 28.4729 -32.2284 -55.0871 72.0525 28.4729 72.0526 81.7041 GPRESSAVG: 3114200 -50.974 -33.0864 27.5251 -33.624 -54.6442 73.3399 27.5631 70.7424 81.1121 TIMING: 3114200 CPU: 9025.37, 0.00287515/step Wall: 9025.37, 0.00287515/step, 1.5061 hours remaining, 209.179688 MB of memory in use. ENERGY: 3114200 772.4531 2099.2421 1961.8186 108.8686 -206058.7398 17862.0408 0.0000 0.0000 34131.3151 -149123.0016 298.0773 -183254.3167 -149024.5839 299.4714 45.6693 77.8848 556543.5792 -8.2590 -8.1687 PRESSURE: 3114400 -126.071 -15.9452 -144.486 -15.9459 -77.2939 89.8568 -144.487 89.8577 116.143 GPRESSURE: 3114400 -97.2681 -56.5214 -193.454 72.1118 -23.1015 31.8814 -139.274 142.509 141.209 PRESSAVG: 3114400 -34.8344 -4.04483 -4.86542 -4.04483 -12.9931 45.3884 -4.86541 45.3885 2.17227 GPRESSAVG: 3114400 -34.4939 -3.27394 -3.63685 -3.23517 -13.3989 44.1667 -5.55618 46.5134 2.03041 TIMING: 3114400 CPU: 9025.95, 0.00291389/step Wall: 9025.95, 0.00291389/step, 1.52623 hours remaining, 209.179688 MB of memory in use. ENERGY: 3114400 745.3021 2068.2268 1958.8665 110.2081 -205861.6246 17560.3241 0.0000 0.0000 34518.3860 -148900.3110 301.4577 -183418.6970 -148802.9756 299.6274 -29.0741 6.9463 557237.3497 -15.2184 -15.2874 PRESSURE: 3114600 12.561 38.4579 -72.9639 38.459 4.10433 -26.522 -72.9643 -26.5241 87.6422 GPRESSURE: 3114600 90.7171 73.7303 -3.79005 48.9289 77.6629 13.2927 -51.951 27.1758 26.5949 PRESSAVG: 3114600 36.1605 -4.40249 -10.608 -4.40266 -7.70223 -6.51129 -10.6081 -6.51123 -3.12631 GPRESSAVG: 3114600 36.5828 -2.73872 -10.4816 -4.99875 -8.01204 -5.55604 -10.3883 -7.00079 -2.91574 TIMING: 3114600 CPU: 9026.53, 0.00288845/step Wall: 9026.53, 0.00288845/step, 1.51275 hours remaining, 209.179688 MB of memory in use. ENERGY: 3114600 743.2497 2117.0242 1947.2535 124.5244 -206366.6388 17942.4167 0.0000 0.0000 34543.8756 -148948.2947 301.6803 -183492.1703 -148849.1571 300.1065 34.7692 64.9916 557904.9080 8.4440 8.5517 PRESSURE: 3114800 -117.533 -97.2952 -140.599 -97.2956 -50.8944 -69.36 -140.599 -69.358 276.803 GPRESSURE: 3114800 -64.4933 -142.989 -131.069 -28.6279 -3.65749 5.01508 -94.1722 -124.234 277.794 PRESSAVG: 3114800 33.7795 26.3121 31.3778 26.3123 -96.667 -36.9853 31.3778 -36.9852 34.678 GPRESSAVG: 3114800 32.2976 23.4827 31.5266 27.277 -95.7229 -37.9097 31.0884 -36.5164 35.5299 TIMING: 3114800 CPU: 9027.1, 0.00287999/step Wall: 9027.1, 0.00287999/step, 1.50816 hours remaining, 209.179688 MB of memory in use. ENERGY: 3114800 689.9115 2081.6668 1975.7616 124.9115 -205987.0311 17694.1007 0.0000 0.0000 34400.6388 -149020.0401 300.4293 -183420.6789 -148929.4326 300.6863 36.1251 69.8811 557167.4691 -9.4031 -9.2984 PRESSURE: 3115000 -334.769 -308.868 -170.941 -308.868 78.2631 11.1227 -170.941 11.1217 23.0055 GPRESSURE: 3115000 -256.048 -318.894 -101.832 -303.608 50.3013 -28.3804 -174.074 -12.2915 61.8343 PRESSAVG: 3115000 -11.698 -27.4758 -4.23912 -27.4759 -79.4666 -5.43265 -4.23921 -5.43278 103.907 GPRESSAVG: 3115000 -10.3144 -26.5415 -4.8383 -29.195 -80.4317 -6.43412 -3.61958 -5.56419 103.884 TIMING: 3115000 CPU: 9027.68, 0.00287019/step Wall: 9027.68, 0.00287019/step, 1.50286 hours remaining, 209.179688 MB of memory in use. ENERGY: 3115000 706.7921 2083.4942 1949.1612 129.5394 -206037.9482 17600.6623 0.0000 0.0000 34571.7148 -148996.5843 301.9234 -183568.2990 -148890.7753 300.1332 -77.8333 -47.9707 557073.0958 4.2476 4.3794 PRESSURE: 3115200 45.447 -95.6875 -22.515 -95.6884 -142.793 -55.1038 -22.5155 -55.1037 -7.30954 GPRESSURE: 3115200 80.9667 -129.412 -39.0061 -31.823 -107.807 -57.3367 43.804 -34.8937 29.8287 PRESSAVG: 3115200 -21.6587 -46.2353 -9.14009 -46.2353 -17.0493 -50.378 -9.1401 -50.3781 32.4259 GPRESSAVG: 3115200 -21.4241 -46.1272 -10.0895 -44.7466 -16.248 -49.7562 -8.84715 -51.697 31.8249 TIMING: 3115200 CPU: 9028.25, 0.00288512/step Wall: 9028.25, 0.00288512/step, 1.51052 hours remaining, 209.179688 MB of memory in use. ENERGY: 3115200 720.3696 2168.6730 1925.4858 131.4275 -205777.6207 17508.7586 0.0000 0.0000 34319.1471 -149003.7590 299.7176 -183322.9062 -148905.9129 300.6260 -34.8851 0.9963 557595.8629 -2.0940 -1.9490 PRESSURE: 3115400 7.99106 -66.5153 -170.161 -66.5151 -140.261 84.8221 -170.16 84.8228 -223.113 GPRESSURE: 3115400 94.6231 50.3493 -156.759 -161.018 -122.204 142.169 -265.053 157.436 -214.582 PRESSAVG: 3115400 -26.6825 -54.7163 -23.1188 -54.7163 -11.8867 22.3901 -23.1187 22.3902 50.1976 GPRESSAVG: 3115400 -27.5655 -54.1809 -24.1133 -54.4314 -12.2939 22.7254 -20.7244 22.6552 51.2455 TIMING: 3115400 CPU: 9028.83, 0.00290473/step Wall: 9028.83, 0.00290473/step, 1.52063 hours remaining, 209.179688 MB of memory in use. ENERGY: 3115400 754.0449 2055.2384 1977.7954 110.7330 -205824.0680 17687.9442 0.0000 0.0000 34417.3878 -148820.9243 300.5756 -183238.3121 -148730.8387 300.4627 -118.4611 -80.7210 558784.9009 3.8761 3.7954 PRESSURE: 3115600 -166.542 -51.9573 -34.6673 -51.9568 -332.639 43.5235 -34.6662 43.523 -92.013 GPRESSURE: 3115600 -119.666 -11.0143 -55.7489 -12.7121 -268.045 53.4399 12.9467 -3.74165 -108.052 PRESSAVG: 3115600 -12.1624 -37.5749 1.38664 -37.5749 -36.648 61.0332 1.38665 61.0332 35.0435 GPRESSAVG: 3115600 -12.2284 -38.2304 3.13881 -38.6928 -37.0047 58.9248 -2.33096 63.6009 35.33 TIMING: 3115600 CPU: 9029.41, 0.00289192/step Wall: 9029.41, 0.00289192/step, 1.51376 hours remaining, 209.179688 MB of memory in use. ENERGY: 3115600 737.4958 2100.5975 1938.1727 114.6928 -205070.4530 17344.3850 0.0000 0.0000 34069.9989 -148765.1104 297.5418 -182835.1092 -148667.6303 300.2384 -197.0646 -165.2543 558680.8942 -4.5890 -4.6344 PRESSURE: 3115800 -110.763 -54.9161 23.6772 -54.9172 -179.412 -250.266 23.677 -250.265 33.7043 GPRESSURE: 3115800 -130.716 -118.816 87.6914 -37.3407 -112.096 -192.834 -36.6104 -285.96 81.8093 PRESSAVG: 3115800 -47.6236 -56.7175 22.3581 -56.7175 0.958321 12.6951 22.3582 12.6951 7.81824 GPRESSAVG: 3115800 -46.7537 -56.6825 23.8535 -55.2819 0.330585 14.4414 20.5436 7.81587 8.06848 TIMING: 3115800 CPU: 9029.99, 0.00289736/step Wall: 9029.99, 0.00289736/step, 1.51645 hours remaining, 209.179688 MB of memory in use. ENERGY: 3115800 754.3754 2090.3792 1951.2324 116.5799 -205429.5372 17522.1883 0.0000 0.0000 34397.1479 -148597.6339 300.3988 -182994.7818 -148500.2682 300.6751 -85.4905 -53.6678 558337.9855 -12.9490 -12.7849 PRESSURE: 3116000 -71.8647 -25.2799 75.5982 -25.2797 -132.846 166.121 75.5978 166.121 -216.092 GPRESSURE: 3116000 -59.5548 29.1777 111.822 -6.03076 -72.9956 66.7095 120.62 260.913 -187.892 PRESSAVG: 3116000 17.8973 -93.3291 42.5882 -93.3291 4.72731 66.9675 42.5881 66.9676 -9.07776 GPRESSAVG: 3116000 17.8361 -93.5685 38.8069 -92.9051 5.18461 66.4058 46.2929 70.294 -9.84697 TIMING: 3116000 CPU: 9030.57, 0.00288593/step Wall: 9030.57, 0.00288593/step, 1.51031 hours remaining, 209.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3116000 777.8443 2081.2134 1944.0923 113.6488 -205626.6986 17583.7794 0.0000 0.0000 34414.3937 -148711.7266 300.5495 -183126.1203 -148617.8572 301.2117 -140.2675 -106.8142 558812.7909 4.5156 4.3912 PRESSURE: 3116200 -21.9677 38.5972 -29.4334 38.5965 -106.22 -57.3886 -29.4333 -57.3879 -0.346279 GPRESSURE: 3116200 -28.3777 139.286 -65.0843 13.8673 -56.3982 -29.3927 27.5707 -108.41 49.8737 PRESSAVG: 3116200 29.0982 -14.4771 39.9385 -14.4771 -60.7655 28.1843 39.9386 28.1842 -16.1726 GPRESSAVG: 3116200 29.8629 -14.1736 41.27 -13.6997 -61.0584 29.637 39.9097 26.7036 -16.6742 TIMING: 3116200 CPU: 9031.14, 0.00287444/step Wall: 9031.14, 0.00287444/step, 1.50413 hours remaining, 209.179688 MB of memory in use. ENERGY: 3116200 762.1312 2138.0590 1965.1668 110.2456 -205966.7406 17736.2862 0.0000 0.0000 34438.1448 -148816.7069 300.7569 -183254.8517 -148721.5285 300.3667 -42.8448 -11.6341 558053.5467 -15.9466 -15.9565 LDB: ============= START OF LOAD BALANCING ============== 9034.53 LDB: ============== END OF LOAD BALANCING =============== 9034.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9034.53 LDB: ============= START OF LOAD BALANCING ============== 9034.82 LDB: Largest compute 4800 load 0.023887 is 20.3% of average load 0.117937 LDB: Average compute 0.001739 is 1.5% of average load 0.117937 LDB: TIME 9034.83 LOAD: AVG 0.117937 MAX 0.179156 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.203 MB LDB: TIME 9034.83 LOAD: AVG 0.117937 MAX 0.179156 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.273 MB LDB: TIME 9034.83 LOAD: AVG 0.117937 MAX 0.179156 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9034.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9034.83 PRESSURE: 3116400 -37.4151 -13.4061 94.1361 -13.4053 -47.524 44.4681 94.1369 44.4673 -224.98 GPRESSURE: 3116400 -16.5982 -87.6016 151.005 -20.1076 -22.6392 127.206 30.6578 -56.6731 -172.213 PRESSAVG: 3116400 34.8347 -38.6633 33.2964 -38.6633 18.8239 2.67055 33.2964 2.67063 -4.63299 GPRESSAVG: 3116400 33.7842 -39.242 33.0187 -41.5038 19.0033 1.82311 32.6661 2.91362 -3.88874 TIMING: 3116400 CPU: 9031.74, 0.00297074/step Wall: 9031.74, 0.00297074/step, 1.55436 hours remaining, 209.179688 MB of memory in use. ENERGY: 3116400 720.0420 2117.5825 1982.9617 117.5593 -206116.6090 17746.3839 0.0000 0.0000 34475.5491 -148956.5305 301.0835 -183432.0796 -148857.2286 300.5163 -103.3064 -70.4835 559257.7908 16.3419 16.2996 PRESSURE: 3116600 -78.2006 -32.1937 -106.194 -32.1933 312.432 54.1286 -106.193 54.1284 49.4561 GPRESSURE: 3116600 -30.2598 -15.6862 -98.4835 33.0907 287.054 131.459 -97.4622 60.6324 120.58 PRESSAVG: 3116600 0.549497 -6.97084 46.0536 -6.97093 47.7027 1.02726 46.0536 1.02736 -32.5615 GPRESSAVG: 3116600 0.504908 -7.73402 45.9484 -5.12285 48.174 -1.42615 45.9398 1.49931 -32.9482 TIMING: 3116600 CPU: 9032.31, 0.00287186/step Wall: 9032.31, 0.00287186/step, 1.50246 hours remaining, 209.179688 MB of memory in use. ENERGY: 3116600 711.1745 2150.0201 1951.6085 116.1905 -206417.6932 18133.9860 0.0000 0.0000 34309.7607 -149044.9529 299.6357 -183354.7136 -148946.3098 299.5774 94.5626 125.7915 557807.5066 5.2303 5.2436 PRESSURE: 3116800 -178.525 0.88158 -163.82 0.880906 -69.5105 -80.0641 -163.821 -80.0652 -135.305 GPRESSURE: 3116800 -150.956 -36.0411 -134.285 7.22241 -71.5021 -54.026 -93.3164 -64.6833 -68.6506 PRESSAVG: 3116800 -10.2071 -53.8429 -1.2051 -53.843 47.0139 -39.0947 -1.20507 -39.0946 -52.2811 GPRESSAVG: 3116800 -10.2268 -51.4208 -0.197543 -56.111 45.3973 -37.2436 -1.77789 -39.7664 -50.8528 TIMING: 3116800 CPU: 9032.89, 0.00287235/step Wall: 9032.89, 0.00287235/step, 1.50256 hours remaining, 209.234375 MB of memory in use. ENERGY: 3116800 758.5113 2133.2972 1944.6500 117.3791 -205924.9719 17617.0074 0.0000 0.0000 34514.9974 -148839.1295 301.4281 -183354.1269 -148740.8551 300.4083 -127.7803 -97.0363 558440.4525 -5.1581 -5.2274 PRESSURE: 3117000 40.3365 12.1699 27.8012 12.1694 -90.0408 70.4861 27.8013 70.4866 -146.324 GPRESSURE: 3117000 47.9827 -35.64 -65.7821 131.731 -40.9186 38.05 143.26 29.2916 -104.737 PRESSAVG: 3117000 27.0254 -30.2393 6.37867 -30.2393 38.8995 -32.2369 6.37861 -32.237 17.9322 GPRESSAVG: 3117000 26.7144 -31.3703 6.76059 -29.6819 39.8026 -34.742 6.53045 -30.893 16.4335 TIMING: 3117000 CPU: 9033.46, 0.00288258/step Wall: 9033.46, 0.00288258/step, 1.50775 hours remaining, 209.234375 MB of memory in use. ENERGY: 3117000 809.0060 2072.0786 1961.9878 113.1754 -206151.2088 17694.1146 0.0000 0.0000 34534.0976 -148966.7488 301.5949 -183500.8464 -148867.8618 299.9666 -65.3427 -32.5575 557690.7308 27.9523 27.6501 PRESSURE: 3117200 28.2117 -13.4406 45.5883 -13.4408 48.3515 -14.7501 45.5888 -14.7498 -91.3132 GPRESSURE: 3117200 90.4046 -40.5697 56.9331 -17.2073 74.1162 -5.03108 -28.4145 -8.39039 -75.4581 PRESSAVG: 3117200 36.5628 -3.58102 61.2738 -3.58099 54.5889 -16.371 61.2737 -16.3709 -49.8807 GPRESSAVG: 3117200 36.2162 -4.71811 61.9912 -2.70796 54.2998 -13.7245 60.7073 -17.622 -49.7545 TIMING: 3117200 CPU: 9034.04, 0.00289586/step Wall: 9034.04, 0.00289586/step, 1.51453 hours remaining, 209.234375 MB of memory in use. ENERGY: 3117200 754.3875 2110.3643 1971.3375 110.9611 -206158.7899 17869.0973 0.0000 0.0000 34240.1607 -149102.4816 299.0278 -183342.6422 -149009.4553 299.5572 -4.9167 29.6876 557884.1094 13.7570 13.5872 PRESSURE: 3117400 -78.3327 38.326 154.569 38.3258 -20.0049 -27.2559 154.568 -27.2563 157.318 GPRESSURE: 3117400 -45.9218 85.5062 117.298 -2.13965 41.8054 -17.326 187.027 -28.9621 149.226 PRESSAVG: 3117400 4.68595 -1.3807 11.5725 -1.38065 -3.94252 -2.14031 11.5726 -2.1402 26.6777 GPRESSAVG: 3117400 5.84353 -1.08737 10.3979 -0.475926 -4.96338 -2.61389 12.3882 -0.851811 26.4028 TIMING: 3117400 CPU: 9034.62, 0.00288146/step Wall: 9034.62, 0.00288146/step, 1.50684 hours remaining, 209.476562 MB of memory in use. ENERGY: 3117400 775.3827 2080.6630 1977.4395 113.2738 -206408.7741 17842.6906 0.0000 0.0000 34539.3362 -149079.9884 301.6406 -183619.3246 -148980.9762 299.6533 19.6600 48.3698 556421.1250 9.1404 9.0943 PRESSURE: 3117600 -91.4333 27.8581 -81.131 27.8574 -155.171 39.6355 -81.1303 39.6368 124.728 GPRESSURE: 3117600 -88.1126 9.1644 -25.2656 10.6912 -50.8586 74.1005 -136.172 34.1756 128.414 PRESSAVG: 3117600 58.5588 -18.7573 -35.5511 -18.7573 -18.7476 38.7285 -35.5511 38.7286 -58.7665 GPRESSAVG: 3117600 58.2272 -18.5741 -35.1543 -17.4348 -18.0897 38.8825 -35.9915 38.2654 -58.4875 TIMING: 3117600 CPU: 9035.2, 0.0028842/step Wall: 9035.2, 0.0028842/step, 1.50811 hours remaining, 209.476562 MB of memory in use. ENERGY: 3117600 743.3195 2058.0622 1988.9345 116.8852 -206108.8527 17788.3764 0.0000 0.0000 34283.3727 -149129.9022 299.4052 -183413.2748 -149037.2575 299.8358 -40.6254 -3.5190 558066.7167 -6.3184 -6.1167 PRESSURE: 3117800 -0.936197 20.1748 -170.055 20.1753 147.651 -108.921 -170.055 -108.919 -18.1426 GPRESSURE: 3117800 46.8879 29.6972 -205.083 26.7768 174.887 -92.2988 -194.767 -92.2779 4.49537 PRESSAVG: 3117800 7.29137 -37.6829 10.5195 -37.6829 52.4074 -10.4504 10.5195 -10.4505 -36.9727 GPRESSAVG: 3117800 7.92294 -35.7174 10.5998 -40.0819 52.2842 -9.7543 11.8354 -10.4309 -37.3112 TIMING: 3117800 CPU: 9035.77, 0.00287694/step Wall: 9035.77, 0.00287694/step, 1.50416 hours remaining, 209.476562 MB of memory in use. ENERGY: 3117800 744.0748 2140.3652 1965.2118 117.0147 -206356.8068 17908.6413 0.0000 0.0000 34462.3457 -149019.1533 300.9682 -183481.4990 -148923.2255 300.6230 42.8574 75.4234 557483.2668 7.5754 7.6320 PRESSURE: 3118000 -154.537 -77.9095 -15.5417 -77.9095 -20.1724 52.943 -15.5431 52.9423 -23.5428 GPRESSURE: 3118000 -226.306 -124.062 27.3442 -26.7475 71.3731 9.56528 -116.409 45.9876 54.1113 PRESSAVG: 3118000 9.864 -7.66529 -79.7942 -7.66538 2.61401 25.4082 -79.7941 25.4083 8.40579 GPRESSAVG: 3118000 8.49575 -7.12385 -79.8934 -7.11681 2.57708 27.3193 -80.1941 23.0632 9.48159 TIMING: 3118000 CPU: 9036.35, 0.00288486/step Wall: 9036.35, 0.00288486/step, 1.50814 hours remaining, 209.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3118000 803.3011 2095.3649 1945.0309 108.9357 -206190.0107 17773.5390 0.0000 0.0000 34340.0251 -149123.8140 299.9000 -183463.8390 -149032.0081 299.8296 -66.0842 -33.6071 557378.2775 6.9613 6.8515 PRESSURE: 3118200 226.143 -33.9284 -148.633 -33.9289 94.0774 -90.1365 -148.632 -90.1371 -32.37 GPRESSURE: 3118200 307.41 -12.0961 -65.3381 43.9409 83.4425 -67.5559 -176.264 -96.2996 -12.0778 PRESSAVG: 3118200 -32.5379 -4.74033 -20.9029 -4.7404 70.0173 22.0997 -20.9029 22.0995 -12.2023 GPRESSAVG: 3118200 -32.9916 -5.68012 -19.5575 -3.77995 70.4174 20.7835 -22.2123 23.7555 -11.8956 TIMING: 3118200 CPU: 9036.92, 0.00288298/step Wall: 9036.92, 0.00288298/step, 1.507 hours remaining, 209.476562 MB of memory in use. ENERGY: 3118200 732.4246 2155.9392 1943.0717 117.9983 -206257.3740 17847.4664 0.0000 0.0000 34192.9452 -149267.5285 298.6155 -183460.4737 -149164.5267 299.4073 95.9502 126.2582 557744.4474 8.4257 8.5101 PRESSURE: 3118400 183.959 102.951 32.2264 102.951 48.3785 80.8481 32.2256 80.8474 44.6906 GPRESSURE: 3118400 206.701 78.624 9.16046 99.2477 98.7434 9.98751 106.204 31.588 67.0292 PRESSAVG: 3118400 -49.0467 -30.1944 47.2026 -30.1944 16.313 -35.1041 47.2026 -35.1042 -43.064 GPRESSAVG: 3118400 -48.5508 -30.2771 45.9251 -31.2708 16.5475 -37.8788 48.6959 -35.1708 -43.7724 TIMING: 3118400 CPU: 9037.51, 0.00290848/step Wall: 9037.51, 0.00290848/step, 1.52016 hours remaining, 209.476562 MB of memory in use. ENERGY: 3118400 756.2087 2061.9763 1966.6968 98.1211 -206489.0575 17985.9743 0.0000 0.0000 34357.2481 -149262.8321 300.0504 -183620.0802 -149166.6774 299.3704 92.3427 124.1578 557146.8609 -25.2659 -25.2586 PRESSURE: 3118600 52.0461 217.77 -142.853 217.77 5.60093 -45.9953 -142.853 -45.9948 -165.816 GPRESSURE: 3118600 40.9037 267.944 -141.06 175.146 53.3898 27.2799 -196.035 -63.4705 -108.571 PRESSAVG: 3118600 -7.57977 15.2366 2.45017 15.2366 39.1008 -55.1319 2.45019 -55.1319 29.3037 GPRESSAVG: 3118600 -8.10469 14.9485 2.3552 17.2031 39.2336 -51.5142 3.42957 -54.6341 29.6291 TIMING: 3118600 CPU: 9038.09, 0.00290092/step Wall: 9038.09, 0.00290092/step, 1.51605 hours remaining, 209.476562 MB of memory in use. ENERGY: 3118600 769.4048 2114.9232 1953.3313 118.5519 -206475.8508 18058.4957 0.0000 0.0000 34221.0328 -149240.1111 298.8608 -183461.1439 -149144.4785 299.4254 -36.0562 -4.7592 558365.4935 20.2749 20.2527 PRESSURE: 3118800 -148.721 -299.429 100.969 -299.428 24.2999 -135.564 100.969 -135.563 -261.09 GPRESSURE: 3118800 -108.469 -249.823 92.6311 -335.894 38.2411 -176.201 -17.5957 -98.7008 -221.195 PRESSAVG: 3118800 -41.7465 -23.2996 2.95517 -23.2995 110.131 -89.4184 2.95513 -89.4183 -72.3599 GPRESSAVG: 3118800 -41.5657 -22.998 3.64356 -24.2051 110.104 -90.6698 0.947949 -90.5608 -72.191 TIMING: 3118800 CPU: 9038.66, 0.00289396/step Wall: 9038.66, 0.00289396/step, 1.51225 hours remaining, 209.476562 MB of memory in use. ENERGY: 3118800 755.0765 2067.8346 1964.6084 108.8586 -206204.6010 17790.7229 0.0000 0.0000 34434.9469 -149082.5532 300.7290 -183517.5001 -148990.0567 299.7603 -128.5038 -97.1411 558582.2881 -1.3253 -1.2176 PRESSURE: 3119000 -89.096 -180.719 -1.43254 -180.719 -122.995 -104.366 -1.43241 -104.366 -133.134 GPRESSURE: 3119000 -65.1461 -124.65 32.3703 -205.674 -104.021 -78.3715 -41.7375 -75.5328 -75.4596 PRESSAVG: 3119000 -41.8912 -5.58466 24.1769 -5.5847 3.96944 -89.5875 24.1769 -89.5873 32.7297 GPRESSAVG: 3119000 -41.4874 -3.88334 24.5755 -6.56465 3.48865 -90.07 23.8463 -89.4501 33.3007 TIMING: 3119000 CPU: 9039.24, 0.00287338/step Wall: 9039.24, 0.00287338/step, 1.50134 hours remaining, 209.476562 MB of memory in use. ENERGY: 3119000 751.4473 2135.4622 1948.6600 104.0640 -206077.8710 17717.0593 0.0000 0.0000 34419.9407 -149001.2375 300.5979 -183421.1782 -148909.5617 299.8266 -115.0751 -81.5422 559320.5933 -1.7307 -1.5660 PRESSURE: 3119200 -328.943 78.0357 64.8934 78.0368 -19.726 -239.852 64.8931 -239.85 -158.646 GPRESSURE: 3119200 -310.98 132.361 164.082 53.2965 19.2449 -199.792 26.2633 -282.61 -113.032 PRESSAVG: 3119200 21.9219 35.1102 -53.7431 35.1103 -7.52085 24.2751 -53.7431 24.275 -20.6866 GPRESSAVG: 3119200 22.2085 34.3509 -54.2131 36.4719 -8.23894 25.071 -52.6174 25.7756 -21.0277 TIMING: 3119200 CPU: 9039.82, 0.00288598/step Wall: 9039.82, 0.00288598/step, 1.50777 hours remaining, 209.476562 MB of memory in use. ENERGY: 3119200 718.1309 2143.9011 1954.3303 102.0145 -205726.2881 17520.0369 0.0000 0.0000 34171.2275 -149116.6469 298.4258 -183287.8744 -149013.2404 299.6560 -169.1052 -134.9223 557326.0296 -2.0952 -2.3527 PRESSURE: 3119400 -387.708 78.3022 41.4681 78.3031 161.728 148.756 41.468 148.755 20.1019 GPRESSURE: 3119400 -301.036 75.2727 -30.7967 94.5747 154.917 134.444 85.9117 178.879 23.5175 PRESSAVG: 3119400 -44.4701 -10.2631 9.39874 -10.2631 29.6391 35.9683 9.39885 35.9683 6.59594 GPRESSAVG: 3119400 -44.711 -9.41798 9.83847 -13.1502 30.0955 37.1818 9.01054 34.8712 6.21074 TIMING: 3119400 CPU: 9040.4, 0.00290575/step Wall: 9040.4, 0.00290575/step, 1.51793 hours remaining, 209.476562 MB of memory in use. ENERGY: 3119400 773.9673 2134.6022 1956.1991 118.0162 -206174.5833 17881.7896 0.0000 0.0000 34261.5198 -149048.4891 299.2144 -183310.0089 -148944.9758 299.5351 -68.6261 -40.8669 558374.6074 -2.7450 -2.8016 PRESSURE: 3119600 33.4267 -28.7134 -74.5261 -28.7131 280.969 -284.372 -74.5258 -284.372 322.467 GPRESSURE: 3119600 69.2117 82.169 7.41429 -149.492 285.754 -299.32 -64.444 -212.545 362.673 PRESSAVG: 3119600 -8.35474 15.2873 -49.9494 15.2873 52.2771 5.82141 -49.9494 5.82137 -23.4981 GPRESSAVG: 3119600 -8.38447 13.704 -52.0561 16.8455 51.5589 3.75474 -48.2797 6.24732 -23.3254 TIMING: 3119600 CPU: 9040.97, 0.00288558/step Wall: 9040.97, 0.00288558/step, 1.50724 hours remaining, 209.476562 MB of memory in use. ENERGY: 3119600 737.4271 2074.6545 1968.9492 106.1320 -206510.6138 18059.0311 0.0000 0.0000 34414.9510 -149149.4689 300.5543 -183564.4199 -149053.0777 299.5216 212.2876 239.2131 557149.3273 6.8081 6.6163 PRESSURE: 3119800 -90.0693 53.673 49.5712 53.6731 -131.492 112.979 49.5711 112.98 -230.606 GPRESSURE: 3119800 -52.1801 174.304 86.1445 -25.8154 -123.436 88.9186 15.1236 140.572 -186.894 PRESSAVG: 3119800 -0.830477 -4.19563 4.1115 -4.19574 49.1518 5.99333 4.1115 5.99337 -45.5644 GPRESSAVG: 3119800 -1.07854 -2.6773 4.8875 -3.93598 48.7491 5.90755 1.60572 6.10381 -45.0614 TIMING: 3119800 CPU: 9041.55, 0.00287733/step Wall: 9041.55, 0.00287733/step, 1.50277 hours remaining, 209.476562 MB of memory in use. ENERGY: 3119800 778.4860 2079.9623 1989.6524 122.2316 -205851.4634 17539.8669 0.0000 0.0000 34128.9544 -149212.3097 298.0566 -183341.2641 -149113.4280 299.2863 -150.7225 -120.8368 558515.0090 0.9190 0.8697 PRESSURE: 3120000 135.667 -43.5281 -155.47 -43.5282 3.28324 -185.628 -155.469 -185.627 -68.374 GPRESSURE: 3120000 218.17 -37.995 -194.205 -105.477 12.0716 -155.471 -86.9506 -187.346 -75.7496 PRESSAVG: 3120000 -5.37914 13.4809 -35.2129 13.4808 63.8084 -40.9652 -35.213 -40.9651 -16.9716 GPRESSAVG: 3120000 -4.14444 11.5211 -35.5285 14.553 63.1391 -38.919 -33.2157 -42.62 -17.3016 TIMING: 3120000 CPU: 9042.13, 0.00291243/step Wall: 9042.13, 0.00291243/step, 1.52093 hours remaining, 209.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3120000 702.1920 2097.5885 1973.0849 112.8157 -206220.7765 17829.0534 0.0000 0.0000 34401.7622 -149104.2797 300.4391 -183506.0419 -149009.2576 299.1844 23.5254 51.4973 556767.6687 13.8192 13.8977 PRESSURE: 3120200 -87.5613 66.1984 -1.23347 66.197 160.698 -217.475 -1.23395 -217.474 271.409 GPRESSURE: 3120200 -25.6154 99.6737 -63.8518 28.9714 159.249 -188.769 36.5764 -223.859 302.935 PRESSAVG: 3120200 -46.3843 8.55153 12.0433 8.55155 34.8375 -34.6826 12.0434 -34.6826 -31.1254 GPRESSAVG: 3120200 -46.7194 8.066 12.6277 9.04841 35.9417 -36.2029 8.87669 -31.909 -31.7251 TIMING: 3120200 CPU: 9042.71, 0.00289733/step Wall: 9042.71, 0.00289733/step, 1.51289 hours remaining, 209.476562 MB of memory in use. ENERGY: 3120200 747.5590 2054.9590 1948.6191 99.7496 -206226.3800 18062.8794 0.0000 0.0000 34264.7144 -149047.8995 299.2423 -183312.6138 -148951.6186 299.4923 114.8486 145.5229 557776.0054 -14.2241 -14.1676 LDB: ============= START OF LOAD BALANCING ============== 9046.1 LDB: ============== END OF LOAD BALANCING =============== 9046.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9046.1 LDB: ============= START OF LOAD BALANCING ============== 9046.39 LDB: Largest compute 4800 load 0.024246 is 20.5% of average load 0.117992 LDB: Average compute 0.001742 is 1.5% of average load 0.117992 LDB: TIME 9046.39 LOAD: AVG 0.117992 MAX 0.18059 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.328 MB LDB: TIME 9046.39 LOAD: AVG 0.117992 MAX 0.18059 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: TIME 9046.39 LOAD: AVG 0.117992 MAX 0.18059 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9046.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9046.4 PRESSURE: 3120400 6.51173 89.5327 62.0519 89.5313 -284.133 163.275 62.0513 163.275 -75.4388 GPRESSURE: 3120400 68.6476 39.8519 86.8268 130.173 -232.885 149.2 -24.2482 115.05 -82.6055 PRESSAVG: 3120400 -58.2778 27.5537 33.7267 27.5536 9.61237 5.26647 33.7267 5.26669 46.5731 GPRESSAVG: 3120400 -58.5851 28.556 35.4491 25.5878 10.2056 7.99758 34.5055 2.817 46.7077 TIMING: 3120400 CPU: 9043.3, 0.00296186/step Wall: 9043.3, 0.00296186/step, 1.54642 hours remaining, 209.367188 MB of memory in use. ENERGY: 3120400 729.2356 2024.1944 1979.6033 117.7321 -205924.0109 17736.6293 0.0000 0.0000 34077.1080 -149259.5083 297.6039 -183336.6163 -149163.4506 299.0287 -117.6865 -82.2809 558232.1600 -0.6975 -0.5573 PRESSURE: 3120600 71.1887 82.0114 139.18 82.0109 130.936 -6.86711 139.18 -6.86707 -365.329 GPRESSURE: 3120600 65.5267 67.9935 137.234 123.573 200.496 -7.40075 82.931 -29.3795 -332.749 PRESSAVG: 3120600 -16.1781 -19.2274 -19.0647 -19.2274 12.7571 -19.6374 -19.0646 -19.6375 0.727435 GPRESSAVG: 3120600 -16.2424 -20.0456 -22.5829 -18.1443 12.6323 -22.096 -15.7312 -19.232 0.482038 TIMING: 3120600 CPU: 9043.89, 0.00292628/step Wall: 9043.89, 0.00292627/step, 1.52768 hours remaining, 209.367188 MB of memory in use. ENERGY: 3120600 711.3712 2072.4809 1964.3394 123.7464 -206320.3480 17859.6000 0.0000 0.0000 34203.9567 -149384.8534 298.7117 -183588.8102 -149284.2353 299.2354 -54.4014 -22.2420 558797.6476 -0.8978 -1.0427 PRESSURE: 3120800 4.7983 -151.414 -27.3067 -151.414 -16.0572 -56.9526 -27.3066 -56.9532 -176.972 GPRESSURE: 3120800 8.50808 -214.308 -5.39397 -121.248 22.704 -26.3521 -8.59712 -55.0018 -119.542 PRESSAVG: 3120800 32.1801 -18.7612 -19.6051 -18.7611 -35.2838 -7.95929 -19.6051 -7.95924 -12.2531 GPRESSAVG: 3120800 33.2388 -19.459 -17.5753 -17.9579 -34.651 -7.57304 -21.669 -5.94979 -13.2237 TIMING: 3120800 CPU: 9044.47, 0.00290921/step Wall: 9044.47, 0.00290921/step, 1.51861 hours remaining, 209.367188 MB of memory in use. ENERGY: 3120800 697.9585 2111.6294 1943.3991 119.0007 -206187.1972 17770.7740 0.0000 0.0000 34073.2876 -149471.1480 297.5705 -183544.4356 -149377.1565 299.0221 -62.7435 -29.4432 557842.9317 -5.1189 -4.8786 PRESSURE: 3121000 2.85938 139.428 83.2493 139.427 70.7818 9.75686 83.2492 9.75899 -20.6771 GPRESSURE: 3121000 44.7763 185.898 81.1041 186.171 115.427 -32.1521 102.247 31.15 -5.12018 PRESSAVG: 3121000 2.06621 -32.6768 -44.9028 -32.6768 -39.7341 -42.6221 -44.9028 -42.6221 31.886 GPRESSAVG: 3121000 2.36625 -31.4544 -44.5069 -33.6432 -40.6493 -44.0671 -46.1896 -42.8855 32.504 TIMING: 3121000 CPU: 9045.05, 0.00289394/step Wall: 9045.05, 0.00289394/step, 1.51048 hours remaining, 209.378906 MB of memory in use. ENERGY: 3121000 724.4755 2127.9519 1959.2828 104.9133 -206484.5060 17974.9164 0.0000 0.0000 34130.3860 -149462.5802 298.0691 -183592.9661 -149368.1155 298.9506 17.6547 51.6942 556907.6836 -1.9273 -1.9264 PRESSURE: 3121200 -136.199 -67.1459 -34.5163 -67.1462 2.29953 -14.1038 -34.5161 -14.1027 16.5556 GPRESSURE: 3121200 -107.227 -105.27 -156.229 -63.4513 32.8802 15.4688 -41.6808 20.2017 50.5846 PRESSAVG: 3121200 3.64118 -42.9078 0.163888 -42.9077 -6.90266 -45.1194 0.163859 -45.1194 -2.66769 GPRESSAVG: 3121200 3.49032 -42.8766 -0.121398 -44.2349 -6.2039 -44.5235 0.316021 -43.923 -2.81934 TIMING: 3121200 CPU: 9045.63, 0.00288064/step Wall: 9045.63, 0.00288064/step, 1.50337 hours remaining, 209.378906 MB of memory in use. ENERGY: 3121200 730.5699 2107.8460 1969.2214 116.4985 -206142.3588 17664.9014 0.0000 0.0000 34104.1473 -149449.1744 297.8400 -183553.3218 -149343.5216 299.3437 -39.1145 -7.9208 555807.3433 -1.9764 -1.8443 PRESSURE: 3121400 33.574 -14.4209 32.9729 -14.4211 -18.5628 16.6426 32.9731 16.6418 -157.628 GPRESSURE: 3121400 6.78631 -88.0488 25.7206 -13.1716 65.298 37.319 45.5562 24.2084 -124.599 PRESSAVG: 3121400 27.0846 -37.9477 -64.2152 -37.9478 3.55916 4.80073 -64.2152 4.80068 -53.7655 GPRESSAVG: 3121400 26.4671 -38.0039 -64.3176 -40.1656 3.77216 5.01652 -63.1338 3.18335 -53.676 TIMING: 3121400 CPU: 9046.2, 0.00287046/step Wall: 9046.2, 0.00287046/step, 1.4979 hours remaining, 209.378906 MB of memory in use. ENERGY: 3121400 726.9718 2080.1176 1959.2878 111.6170 -206050.6864 17544.2120 0.0000 0.0000 34103.5387 -149524.9415 297.8347 -183628.4802 -149431.3732 298.9356 -47.5388 -17.5048 556336.8808 -7.7072 -7.8123 PRESSURE: 3121600 -30.6721 185.966 -35.3476 185.966 -299.632 42.3083 -35.3485 42.3084 180.495 GPRESSURE: 3121600 -9.72685 288.396 -40.2841 171.045 -268.389 70.8379 -71.1014 -4.76178 225.14 PRESSAVG: 3121600 40.4893 36.3955 -71.562 36.3954 -29.083 -4.0691 -71.562 -4.06906 -8.12639 GPRESSAVG: 3121600 39.7099 36.2854 -69.9202 36.7469 -29.2498 -4.3086 -72.8807 -4.23715 -6.69044 TIMING: 3121600 CPU: 9046.78, 0.00287715/step Wall: 9046.78, 0.00287715/step, 1.50123 hours remaining, 209.378906 MB of memory in use. ENERGY: 3121600 770.4228 2101.7046 1951.4711 102.7127 -206464.7097 17869.5231 0.0000 0.0000 34229.7043 -149439.1711 298.9365 -183668.8753 -149341.4782 298.3386 -49.9363 -17.6585 556988.9506 1.0933 1.2565 PRESSURE: 3121800 -123.498 -153.696 -2.37211 -153.698 -203.752 -30.4641 -2.3722 -30.4637 -73.2011 GPRESSURE: 3121800 -73.0765 -129.581 14.1858 -180.314 -159.134 -6.50928 -37.1435 24.4163 -87.0755 PRESSAVG: 3121800 -0.812896 37.9658 -8.5695 37.9658 -31.9957 -39.4968 -8.56958 -39.4969 9.63629 GPRESSAVG: 3121800 -0.386406 37.1924 -10.8518 38.8324 -31.3664 -38.174 -7.41001 -38.8574 8.11468 TIMING: 3121800 CPU: 9047.35, 0.00285929/step Wall: 9047.35, 0.00285929/step, 1.49175 hours remaining, 209.578125 MB of memory in use. ENERGY: 3121800 735.4119 2104.4873 1975.8758 104.8802 -206278.1734 17662.7510 0.0000 0.0000 34167.4177 -149527.3497 298.3926 -183694.7673 -149430.6940 298.4444 -133.4839 -106.4286 556699.3135 -7.7241 -7.8794 PRESSURE: 3122000 98.8169 -6.57016 50.5108 -6.56904 91.2031 -235.648 50.5115 -235.649 111.611 GPRESSURE: 3122000 102.977 -8.0641 90.5048 73.5179 141.645 -270.921 73.0306 -119.887 153.021 PRESSAVG: 3122000 85.7495 2.4243 20.8678 2.42439 29.3116 -33.8276 20.8678 -33.8276 -97.357 GPRESSAVG: 3122000 85.7898 2.93304 22.6065 4.28647 27.864 -34.7311 19.8231 -34.6878 -96.1728 TIMING: 3122000 CPU: 9047.92, 0.00285653/step Wall: 9047.92, 0.00285653/step, 1.49016 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3122000 721.1052 2111.8375 1964.9991 109.2285 -206819.7862 18125.0559 0.0000 0.0000 34124.5883 -149662.9719 298.0185 -183787.5601 -149565.7316 297.5525 100.5438 132.5476 556806.7386 5.9014 5.8270 PRESSURE: 3122200 133.419 -50.0306 -91.4303 -50.0299 70.0337 -48.444 -91.4306 -48.4445 -98.6815 GPRESSURE: 3122200 101.44 -4.68214 -111.126 -21.4611 116.365 -60.3443 -41.448 13.647 -15.4193 PRESSAVG: 3122200 74.8176 -11.8694 20.0119 -11.8694 -2.39952 -39.0886 20.012 -39.0887 -55.8655 GPRESSAVG: 3122200 75.3839 -12.2914 18.3087 -10.4594 -1.52922 -37.9805 21.1834 -39.8124 -57.466 TIMING: 3122200 CPU: 9048.5, 0.00289638/step Wall: 9048.5, 0.00289638/step, 1.51078 hours remaining, 209.578125 MB of memory in use. ENERGY: 3122200 696.2139 2123.0035 1933.6023 122.3416 -206891.1517 17991.2417 0.0000 0.0000 34217.2827 -149807.4660 298.8280 -184024.7487 -149711.6508 298.2383 34.9236 67.4620 556289.9569 5.5175 5.4629 PRESSURE: 3122400 -40.136 -120.653 185.877 -120.652 -239.004 -0.249808 185.877 -0.249233 110.596 GPRESSURE: 3122400 3.31894 -236.411 49.3294 -120.994 -208.398 -69.3262 193.409 81.6536 136.859 PRESSAVG: 3122400 66.2122 -15.71 -24.8166 -15.71 -9.05773 -14.158 -24.8166 -14.158 -63.1249 GPRESSAVG: 3122400 64.2445 -16.7698 -23.902 -19.1104 -8.60242 -14.4526 -25.2172 -13.4378 -62.2561 TIMING: 3122400 CPU: 9049.08, 0.00290173/step Wall: 9049.08, 0.00290173/step, 1.51341 hours remaining, 209.578125 MB of memory in use. ENERGY: 3122400 732.8725 2100.9586 1943.5602 111.9200 -206690.8198 17976.4389 0.0000 0.0000 34114.7565 -149710.3131 297.9327 -183825.0696 -149619.2734 298.2663 -56.1814 -22.7400 558199.9183 -1.9902 -2.2047 PRESSURE: 3122600 -103.4 -193.194 46.3781 -193.194 -53.8658 -15.6189 46.3774 -15.619 -49.3819 GPRESSURE: 3122600 -73.4268 -174.955 43.3579 -190.546 -43.6924 -122.887 29.8199 13.5732 10.393 PRESSAVG: 3122600 53.6666 -34.8803 -1.39722 -34.8803 -47.8643 8.91594 -1.39723 8.91594 -24.1392 GPRESSAVG: 3122600 53.9837 -32.762 -1.88876 -33.7924 -48.486 9.89755 -0.833611 8.68184 -24.3552 TIMING: 3122600 CPU: 9049.66, 0.00289833/step Wall: 9049.66, 0.00289833/step, 1.51148 hours remaining, 209.578125 MB of memory in use. ENERGY: 3122600 707.3123 2147.1694 1963.2663 120.8915 -206617.8053 17851.6811 0.0000 0.0000 34068.9118 -149758.5729 297.5323 -183827.4846 -149664.4758 297.2773 -68.8827 -35.5754 558410.3831 -6.1123 -6.2859 PRESSURE: 3122800 -151.384 -50.0024 -31.8885 -50.0024 -295.261 9.65957 -31.8885 9.66175 -303.511 GPRESSURE: 3122800 -126.633 -73.6615 -46.1649 16.9744 -226.836 -101.108 -31.6738 51.5435 -293.554 PRESSAVG: 3122800 -26.8105 -0.0292868 -25.6935 -0.0293254 56.1357 46.3381 -25.6935 46.338 -57.6744 GPRESSAVG: 3122800 -25.3607 -0.0104328 -24.6368 1.30823 55.2783 45.1371 -25.6646 46.8536 -58.7223 TIMING: 3122800 CPU: 9050.24, 0.00290449/step Wall: 9050.24, 0.00290449/step, 1.51453 hours remaining, 209.578125 MB of memory in use. ENERGY: 3122800 728.0783 2054.3492 1952.8818 102.5199 -206152.3604 17410.4398 0.0000 0.0000 34168.4728 -149735.6186 298.4018 -183904.0914 -149630.8210 298.0838 -250.0520 -215.6744 558444.4055 -9.4497 -9.6016 PRESSURE: 3123000 102.304 -19.7946 -66.8412 -19.7941 -143.636 76.8675 -66.8425 76.8679 90.6274 GPRESSURE: 3123000 146.417 -46.4279 -9.76248 -129.801 -70.658 -3.39316 -75.0552 126.118 72.82 PRESSAVG: 3123000 -59.429 20.1867 45.8761 20.1866 9.15546 48.8146 45.876 48.8147 21.6426 GPRESSAVG: 3123000 -59.3759 19.832 46.9104 20.4978 8.63979 48.5964 44.1578 48.5249 22.4852 TIMING: 3123000 CPU: 9050.82, 0.00291628/step Wall: 9050.82, 0.00291628/step, 1.52052 hours remaining, 209.578125 MB of memory in use. ENERGY: 3123000 711.6120 2099.2918 1970.6734 111.5125 -206848.7835 17911.3918 0.0000 0.0000 34242.2368 -149802.0653 299.0460 -184044.3020 -149705.8882 297.5508 16.4321 49.5264 556964.3630 -9.5436 -9.4170 PRESSURE: 3123200 103.446 -13.4086 -169.704 -13.4087 164.527 -70.7059 -169.704 -70.7059 282.152 GPRESSURE: 3123200 119.722 69.2987 -194.136 -54.0933 201.713 -80.4219 -79.8545 -22.3926 305.489 PRESSAVG: 3123200 4.48941 -6.34588 7.89246 -6.34586 4.28882 -18.2235 7.89255 -18.2235 -11.7235 GPRESSAVG: 3123200 3.87949 -6.52306 6.64986 -7.2963 5.01485 -18.2829 8.93079 -18.5322 -11.9465 TIMING: 3123200 CPU: 9051.4, 0.00290711/step Wall: 9051.4, 0.00290711/step, 1.51557 hours remaining, 209.578125 MB of memory in use. ENERGY: 3123200 738.5397 2190.6561 1958.7850 105.4528 -207116.9321 18210.9134 0.0000 0.0000 34041.0534 -149871.5318 297.2890 -183912.5852 -149783.8007 297.8982 183.3749 208.9744 555820.5171 -0.9818 -1.0174 PRESSURE: 3123400 -145.441 -27.0657 86.1912 -27.0669 -64.4709 -11.2786 86.1909 -11.2794 69.3725 GPRESSURE: 3123400 -87.6818 -4.31143 20.2966 -21.5806 -30.1469 8.25022 70.5542 -7.94548 79.5018 PRESSAVG: 3123400 -10.3692 46.8877 -66.7467 46.8876 -20.0717 -26.0558 -66.7468 -26.0558 5.45434 GPRESSAVG: 3123400 -10.1549 48.9505 -66.1578 45.5316 -20.6334 -24.3162 -68.468 -25.8849 5.6417 TIMING: 3123400 CPU: 9051.98, 0.00289247/step Wall: 9051.98, 0.00289247/step, 1.50778 hours remaining, 209.578125 MB of memory in use. ENERGY: 3123400 702.3822 2071.3324 1946.4748 113.5507 -206672.7196 17881.1046 0.0000 0.0000 34325.2266 -149632.6482 299.7707 -183957.8749 -149530.3821 298.5233 -46.8466 -12.7756 556956.0975 -8.3289 -8.3822 PRESSURE: 3123600 35.418 -164.34 27.0225 -164.338 -332.942 103.424 27.0224 103.424 -305.029 GPRESSURE: 3123600 82.3425 -122.995 75.2365 -184.189 -299.106 118.127 -93.2739 53.2952 -293.623 PRESSAVG: 3123600 40.431 -0.715512 -20.8995 -0.715438 -4.77839 -10.499 -20.8994 -10.4991 -40.0537 GPRESSAVG: 3123600 39.2229 -3.58298 -21.6865 1.04909 -4.59899 -12.6151 -20.2289 -8.81155 -39.3548 TIMING: 3123600 CPU: 9052.55, 0.00285608/step Wall: 9052.55, 0.00285608/step, 1.48865 hours remaining, 209.578125 MB of memory in use. ENERGY: 3123600 735.8473 2072.3339 1923.9097 120.6720 -206392.0641 17556.8518 0.0000 0.0000 34429.8923 -149552.5572 300.6848 -183982.4495 -149458.3317 298.6804 -200.8509 -170.1287 556593.1584 -1.4670 -1.5769 PRESSURE: 3123800 -53.7107 33.9191 72.3204 33.9182 -306.565 114.837 72.3194 114.838 52.0033 GPRESSURE: 3123800 -55.8462 60.4404 27.5727 20.7174 -248.889 165.658 74.2132 129.276 96.9932 PRESSAVG: 3123800 10.0413 2.47858 21.5423 2.4785 -22.8581 0.0763739 21.5424 0.0763566 20.1006 GPRESSAVG: 3123800 11.4174 1.60495 21.8824 2.55993 -22.8707 2.5168 20.5234 -1.85945 19.0091 TIMING: 3123800 CPU: 9053.14, 0.00292185/step Wall: 9053.14, 0.00292185/step, 1.52277 hours remaining, 209.578125 MB of memory in use. ENERGY: 3123800 727.6772 2167.6747 1961.1396 108.4957 -206540.8823 17750.6475 0.0000 0.0000 34300.7606 -149524.4870 299.5571 -183825.2476 -149419.4877 298.3128 -102.7576 -69.2473 555986.6573 2.4279 2.5186 PRESSURE: 3124000 -5.41919 -45.3638 -51.6047 -45.3631 -229.121 84.3983 -51.6039 84.3988 -365.442 GPRESSURE: 3124000 -2.30129 -43.0276 -71.6254 9.07833 -205.783 13.1645 -40.2825 110.252 -299.589 PRESSAVG: 3124000 66.9131 -28.0051 21.8552 -28.0052 9.59556 11.7962 21.8551 11.7963 -74.5043 GPRESSAVG: 3124000 66.3671 -26.761 21.8639 -27.9714 9.04934 11.6703 25.3036 10.8111 -73.5126 TIMING: 3124000 CPU: 9053.72, 0.00288885/step Wall: 9053.72, 0.00288885/step, 1.50541 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3124000 797.2530 2114.5645 1951.1201 101.1052 -206232.4602 17632.3903 0.0000 0.0000 34071.8229 -149564.2042 297.5577 -183636.0271 -149471.1126 298.2875 -199.9940 -169.2242 557081.6249 0.6681 0.6346 PRESSURE: 3124200 157.609 -199.893 176.238 -199.893 -21.587 53.7055 176.236 53.7043 -154.947 GPRESSURE: 3124200 188.558 -180.492 214.423 -197.295 -40.4589 113.984 197.47 37.3034 -70.0376 PRESSAVG: 3124200 34.4883 -44.0981 18.0763 -44.0981 -38.4908 7.73972 18.0764 7.73965 -16.8427 GPRESSAVG: 3124200 34.5762 -43.6738 17.059 -43.74 -37.5907 7.25765 16.8541 7.22675 -17.6347 TIMING: 3124200 CPU: 9054.29, 0.00286974/step Wall: 9054.29, 0.00286974/step, 1.49529 hours remaining, 209.578125 MB of memory in use. ENERGY: 3124200 783.6310 2091.2106 1956.3797 112.1676 -206374.9334 17921.5597 0.0000 0.0000 33812.8224 -149697.1623 295.2958 -183509.9847 -149602.2894 297.6475 -6.3083 26.0204 557276.2260 -6.9484 -6.8831 LDB: ============= START OF LOAD BALANCING ============== 9057.67 LDB: ============== END OF LOAD BALANCING =============== 9057.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9057.68 LDB: ============= START OF LOAD BALANCING ============== 9057.96 LDB: Largest compute 4800 load 0.023466 is 19.9% of average load 0.118015 LDB: Average compute 0.001737 is 1.5% of average load 0.118015 LDB: TIME 9057.97 LOAD: AVG 0.118015 MAX 0.178404 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.918 MB LDB: TIME 9057.97 LOAD: AVG 0.118015 MAX 0.178404 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.008 MB LDB: TIME 9057.97 LOAD: AVG 0.118015 MAX 0.178404 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.008 MB LDB: ============== END OF LOAD BALANCING =============== 9057.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9057.97 PRESSURE: 3124400 -273.627 -25.3508 56.2115 -25.3505 -200.373 29.8057 56.2111 29.8058 -141.197 GPRESSURE: 3124400 -248.449 -18.0275 51.4387 -61.5881 -137.674 -11.1714 47.7861 37.2765 -118.844 PRESSAVG: 3124400 -4.24785 -38.7174 88.5066 -38.7174 20.991 19.7928 88.5066 19.7928 -16.3136 GPRESSAVG: 3124400 -4.40059 -37.8028 89.8837 -41.0962 22.1268 19.8142 89.0459 21.6877 -17.5582 TIMING: 3124400 CPU: 9054.88, 0.00292814/step Wall: 9054.88, 0.00292814/step, 1.52556 hours remaining, 208.906250 MB of memory in use. ENERGY: 3124400 766.1986 2090.4159 1946.7176 109.0459 -206416.7605 17723.8130 0.0000 0.0000 34253.0571 -149527.5124 299.1405 -183780.5695 -149420.9704 297.9208 -205.0654 -168.3221 558163.2969 0.1432 0.0560 PRESSURE: 3124600 -171.446 -209.391 -101.894 -209.392 -52.104 -65.9695 -101.894 -65.9697 30.2111 GPRESSURE: 3124600 -100.337 -109.322 -57.259 -171.606 -3.42318 -78.2615 -191.638 -166.405 15.338 PRESSAVG: 3124600 -61.2365 -78.9137 -7.07534 -78.9137 8.31345 -8.69228 -7.07536 -8.69237 66.8937 GPRESSAVG: 3124600 -61.4575 -75.2419 -8.37583 -80.5262 7.65412 -10.9566 -8.74696 -8.79895 68.1946 TIMING: 3124600 CPU: 9055.45, 0.002873/step Wall: 9055.45, 0.002873/step, 1.49667 hours remaining, 208.906250 MB of memory in use. ENERGY: 3124600 736.5646 2105.3157 1921.4993 113.8102 -206065.0668 17558.6187 0.0000 0.0000 34148.3845 -149480.8739 298.2263 -183629.2584 -149383.7900 298.0630 -64.4463 -29.4742 556716.9857 4.6569 4.7971 PRESSURE: 3124800 295.686 -71.7108 -33.4651 -71.7104 41.513 3.27084 -33.4639 3.27082 259.754 GPRESSURE: 3124800 338.946 -15.9687 -74.0991 -116.49 34.984 107.605 -65.048 -66.89 314.198 PRESSAVG: 3124800 52.444 -21.1047 0.132683 -21.1047 -19.0992 -12.0519 0.132729 -12.0519 -3.64465 GPRESSAVG: 3124800 52.4367 -23.7021 0.0989289 -18.6067 -19.2054 -10.7134 0.307129 -12.038 -3.99555 TIMING: 3124800 CPU: 9056.03, 0.00288065/step Wall: 9056.03, 0.00288065/step, 1.5005 hours remaining, 208.906250 MB of memory in use. ENERGY: 3124800 729.9891 2067.7945 1928.4471 112.8299 -206569.8259 18015.1348 0.0000 0.0000 34454.0898 -149261.5407 300.8961 -183715.6305 -149156.6093 299.8838 198.9843 229.3762 556816.4144 9.9000 9.7453 PRESSURE: 3125000 -60.2546 -25.8712 86.3796 -25.8704 -7.21209 -178.408 86.38 -178.408 14.9025 GPRESSURE: 3125000 -26.8699 -61.4498 78.9567 15.0242 60.454 -250.576 82.4957 -194.082 5.9682 PRESSAVG: 3125000 34.2992 -36.677 10.7367 -36.6771 -73.2401 -17.8539 10.7366 -17.8539 43.0092 GPRESSAVG: 3125000 35.6932 -36.137 13.1053 -36.405 -74.2515 -17.6874 8.92808 -18.6384 42.4499 TIMING: 3125000 CPU: 9056.6, 0.00288255/step Wall: 9056.6, 0.00288255/step, 1.50133 hours remaining, 208.906250 MB of memory in use. ENERGY: 3125000 735.3258 2057.7204 1939.8745 115.1033 -206278.2777 17743.8242 0.0000 0.0000 34530.1098 -149156.3197 301.5600 -183686.4295 -149059.6446 299.7422 -17.5214 13.1841 556806.6837 1.3561 1.2972 PRESSURE: 3125200 -4.25217 144.323 123.902 144.324 120.092 -26.4409 123.903 -26.4395 -268.358 GPRESSURE: 3125200 -8.1588 164.002 67.8216 78.3898 178.64 -16.2898 161.877 -34.565 -232.622 PRESSAVG: 3125200 32.8799 34.0274 -1.77018 34.0273 -34.725 64.6671 -1.77014 64.6671 19.6011 GPRESSAVG: 3125200 32.8998 34.8252 -2.88139 35.0342 -35.6033 66.5832 2.41901 65.1086 20.0026 TIMING: 3125200 CPU: 9057.18, 0.00287527/step Wall: 9057.18, 0.00287527/step, 1.49738 hours remaining, 208.906250 MB of memory in use. ENERGY: 3125200 774.6716 2104.9690 1942.4614 113.5421 -206239.2177 17713.2626 0.0000 0.0000 34334.0392 -149256.2719 299.8477 -183590.3111 -149164.8053 299.6862 -50.8395 -20.7136 555717.5604 5.9187 5.7664 PRESSURE: 3125400 120.788 -100.166 -52.4233 -100.167 -107.736 111.451 -52.4236 111.45 -126.313 GPRESSURE: 3125400 135.757 -113.644 -137.058 -70.2176 -61.2563 91.1741 50.9467 96.7986 -78.568 PRESSAVG: 3125400 -16.1613 -15.9396 15.7143 -15.9397 20.2811 42.2561 15.7143 42.256 28.2346 GPRESSAVG: 3125400 -18.2973 -17.6999 16.7833 -14.8132 22.1481 40.1747 13.7871 42.4302 28.4738 TIMING: 3125400 CPU: 9057.76, 0.00290877/step Wall: 9057.76, 0.00290877/step, 1.51466 hours remaining, 208.906250 MB of memory in use. ENERGY: 3125400 741.2287 2117.0181 1948.3595 111.2405 -206234.9844 17842.7177 0.0000 0.0000 34110.8381 -149363.5817 297.8984 -183474.4199 -149275.5642 299.1649 -37.7532 -1.3556 557161.2002 10.7848 10.7749 PRESSURE: 3125600 -38.0704 21.2718 33.0654 21.2721 -186.399 107.534 33.0645 107.534 -77.9037 GPRESSURE: 3125600 19.4068 -27.9227 -16.7928 43.6692 -168.881 74.1121 8.3646 75.3243 -64.1271 PRESSAVG: 3125600 -21.804 5.67254 7.74733 5.6725 -23.2013 23.0084 7.74738 23.0084 -7.47907 GPRESSAVG: 3125600 -19.7661 5.42879 7.40172 4.05374 -24.4332 23.2923 7.08898 23.7473 -8.43625 TIMING: 3125600 CPU: 9058.33, 0.00287207/step Wall: 9058.33, 0.00287207/step, 1.49539 hours remaining, 208.906250 MB of memory in use. ENERGY: 3125600 728.4813 2073.8938 1943.8529 118.3282 -206204.6226 17683.1495 0.0000 0.0000 34332.9408 -149323.9761 299.8381 -183656.9169 -149231.7034 298.5591 -100.7912 -71.2003 556989.9754 -17.4948 -17.5452 PRESSURE: 3125800 -3.52274 114.163 -63.8315 114.164 -149.004 -44.1935 -63.8315 -44.1928 -123.976 GPRESSURE: 3125800 22.9679 124.277 -47.9777 122.769 -89.649 -92.8866 -144.224 -27.0604 -114.83 PRESSAVG: 3125800 6.86657 5.92066 6.79409 5.92077 -5.5268 -32.7356 6.79405 -32.7356 -10.4186 GPRESSAVG: 3125800 5.81526 4.85888 6.75615 6.32226 -4.16131 -32.4782 6.09302 -33.6575 -10.9655 TIMING: 3125800 CPU: 9058.9, 0.00285154/step Wall: 9058.9, 0.00285154/step, 1.48454 hours remaining, 208.906250 MB of memory in use. ENERGY: 3125800 736.9262 2100.1321 1949.8476 119.2832 -206502.1296 17763.7757 0.0000 0.0000 34193.7278 -149638.4371 298.6223 -183832.1649 -149544.0590 299.2477 -92.1674 -60.5037 556954.5090 -3.0263 -3.1039 PRESSURE: 3126000 -96.4269 -148.231 -42.3075 -148.231 -324.211 -14.0452 -42.3062 -14.0454 78.4388 GPRESSURE: 3126000 -15.7759 -137.091 -43.1264 -158.624 -269.641 11.9451 2.3332 -72.5386 37.2568 PRESSAVG: 3126000 -6.31926 -25.09 37.8884 -25.09 -22.8276 -29.8104 37.8884 -29.8105 40.6615 GPRESSAVG: 3126000 -5.68121 -24.91 38.8773 -26.0027 -23.1769 -28.4517 37.5656 -31.7156 40.1007 TIMING: 3126000 CPU: 9059.49, 0.0029111/step Wall: 9059.49, 0.0029111/step, 1.51539 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3126000 748.8038 2102.1683 1951.1182 111.2695 -206518.2353 17709.5445 0.0000 0.0000 34183.0893 -149712.2417 298.5294 -183895.3310 -149623.7031 298.4067 -114.0662 -82.7200 557562.7014 3.8382 3.7475 PRESSURE: 3126200 86.8612 9.01817 -183.247 9.01865 131.89 6.45591 -183.248 6.45611 7.01402 GPRESSURE: 3126200 167.652 -66.357 -122.392 11.5068 114.459 71.7733 -287.473 6.27599 47.6068 PRESSAVG: 3126200 -27.5258 -22.1002 -1.04191 -22.1002 16.1714 -46.0771 -1.04196 -46.0772 -6.69507 GPRESSAVG: 3126200 -27.4462 -21.8095 -3.65784 -23.1123 14.8199 -46.885 1.22888 -43.7131 -5.31855 TIMING: 3126200 CPU: 9060.06, 0.00288197/step Wall: 9060.06, 0.00288197/step, 1.50007 hours remaining, 208.906250 MB of memory in use. ENERGY: 3126200 779.6543 2043.7223 1951.9161 105.7739 -206685.6429 18065.3162 0.0000 0.0000 34059.9646 -149679.2955 297.4541 -183739.2600 -149582.1331 297.7366 75.2550 109.9059 556440.5387 -6.0165 -5.9816 PRESSURE: 3126400 195.461 -64.1921 121.88 -64.1915 -59.3005 154.504 121.88 154.504 -128.836 GPRESSURE: 3126400 224.841 -15.0909 123.96 -125.856 -9.57238 142.749 66.2925 112.068 -111.384 PRESSAVG: 3126400 76.4338 10.0463 5.57676 10.0463 -45.7315 -9.98668 5.57671 -9.98657 20.6327 GPRESSAVG: 3126400 75.3121 13.3931 6.67245 9.73391 -45.2746 -12.4564 5.39526 -9.29324 20.9964 TIMING: 3126400 CPU: 9060.64, 0.0028878/step Wall: 9060.64, 0.0028878/step, 1.50294 hours remaining, 208.906250 MB of memory in use. ENERGY: 3126400 783.3480 2022.5778 1953.9224 118.9806 -206592.9735 17934.0852 0.0000 0.0000 34045.7534 -149734.3061 297.3300 -183780.0595 -149635.6357 298.4500 2.4415 34.6283 556864.9856 17.1117 17.0113 PRESSURE: 3126600 8.7994 97.2661 -132.234 97.2659 -31.4928 93.4607 -132.235 93.4623 -176.146 GPRESSURE: 3126600 53.4875 134.269 -88.9721 119.71 5.31767 127.769 -165.438 69.086 -156.291 PRESSAVG: 3126600 -39.5097 55.4885 64.4285 55.4885 18.6338 91.8667 64.4286 91.8667 -2.93855 GPRESSAVG: 3126600 -39.4132 54.2521 64.823 56.8821 18.8336 94.1971 64.2451 92.3396 -2.95508 TIMING: 3126600 CPU: 9061.22, 0.00290199/step Wall: 9061.22, 0.00290199/step, 1.51016 hours remaining, 208.906250 MB of memory in use. ENERGY: 3126600 757.2172 2024.6134 1952.1307 104.8454 -206727.3184 17933.3456 0.0000 0.0000 34249.3692 -149705.7970 299.1083 -183955.1662 -149608.0232 298.0597 -66.2797 -32.4952 557648.0193 -7.9382 -7.8449 PRESSURE: 3126800 147.601 108.747 -148.656 108.747 -60.1339 -72.9261 -148.658 -72.9261 -198.384 GPRESSURE: 3126800 178.297 144.907 -88.9256 104.933 -45.0507 -83.7363 -146.983 -58.4255 -147.108 PRESSAVG: 3126800 32.7555 43.4574 74.8494 43.4575 45.8111 22.7504 74.8493 22.7503 -4.78258 GPRESSAVG: 3126800 33.2284 44.2039 75.0523 41.9921 44.6006 21.4917 75.3635 20.8074 -4.21681 TIMING: 3126800 CPU: 9061.8, 0.00288502/step Wall: 9061.8, 0.00288502/step, 1.50117 hours remaining, 208.906250 MB of memory in use. ENERGY: 3126800 759.3726 2070.2118 1940.3338 112.2702 -206407.1314 17837.7325 0.0000 0.0000 34129.5599 -149557.6506 298.0619 -183687.2105 -149464.4096 297.9268 -36.9722 -4.6207 556467.2258 24.5947 24.5374 PRESSURE: 3127000 83.4752 -110.863 105.554 -110.862 -65.0524 -123.323 105.554 -123.324 164.133 GPRESSURE: 3127000 138.027 -137.467 151.32 -125.191 -50.5918 -115.014 152.303 -93.1897 178.233 PRESSAVG: 3127000 -33.8635 5.47708 30.4198 5.47703 26.4735 54.9798 30.4198 54.9799 18.2815 GPRESSAVG: 3127000 -34.0848 5.80339 29.926 4.95304 28.2429 55.5205 31.744 55.8612 16.8005 TIMING: 3127000 CPU: 9062.38, 0.00290058/step Wall: 9062.38, 0.00290058/step, 1.50911 hours remaining, 208.906250 MB of memory in use. ENERGY: 3127000 681.9630 2039.9488 1950.8034 112.3985 -206317.3510 17876.7113 0.0000 0.0000 34017.1085 -149638.4173 297.0799 -183655.5258 -149541.5178 298.0854 60.8518 88.5564 557222.4284 3.6305 3.6529 PRESSURE: 3127200 244.509 40.0257 -2.35204 40.0269 140.712 9.07277 -2.35427 9.07287 15.5962 GPRESSURE: 3127200 290.343 42.2169 55.9627 78.1553 163.182 3.1668 -60.5592 -43.9431 48.9644 PRESSAVG: 3127200 -34.5274 8.26271 -16.5227 8.26272 -5.65544 32.3272 -16.5226 32.3272 13.3687 GPRESSAVG: 3127200 -34.2448 7.87567 -15.5569 8.50048 -5.84718 31.5817 -18.3251 34.2394 12.7986 TIMING: 3127200 CPU: 9062.96, 0.00289335/step Wall: 9062.96, 0.00289335/step, 1.50518 hours remaining, 208.906250 MB of memory in use. ENERGY: 3127200 724.8618 2072.0193 1952.4270 107.8497 -206605.7256 17959.6915 0.0000 0.0000 34370.7225 -149418.1538 300.1681 -183788.8763 -149319.2483 297.9155 133.6055 167.4964 556617.8119 -8.9380 -9.0978 PRESSURE: 3127400 -34.8857 -150.384 147.416 -150.385 -318.231 -6.42807 147.416 -6.42945 30.4207 GPRESSURE: 3127400 -59.1569 -95.2167 176.073 -154.765 -217.067 -15.167 99.9432 9.79625 50.9894 PRESSAVG: 3127400 -4.40458 -14.9669 -23.6607 -14.9669 13.0511 -6.23181 -23.6608 -6.23195 58.4009 GPRESSAVG: 3127400 -4.89511 -16.6478 -24.2709 -13.0737 12.9425 -5.01297 -22.7816 -9.2832 58.5709 TIMING: 3127400 CPU: 9063.54, 0.00289566/step Wall: 9063.54, 0.00289566/step, 1.50622 hours remaining, 208.906250 MB of memory in use. ENERGY: 3127400 771.2665 2054.9141 1938.8977 102.9395 -206472.9747 17848.4807 0.0000 0.0000 34319.5518 -149436.9245 299.7212 -183756.4763 -149337.5585 298.5225 -107.5652 -75.0781 556412.5903 22.3491 22.2061 PRESSURE: 3127600 -258.184 62.0326 67.8789 62.0321 -21.9827 -37.7138 67.879 -37.7137 -280.413 GPRESSURE: 3127600 -202.288 37.6699 144.559 62.4909 -37.2228 -13.9307 45.3583 -22.4677 -220.571 PRESSAVG: 3127600 6.67298 -34.0175 48.2273 -34.0177 29.3409 -52.6053 48.2274 -52.6053 -36.7408 GPRESSAVG: 3127600 6.40008 -33.3691 50.1047 -35.6742 29.5161 -51.9448 46.39 -52.6504 -37.0355 TIMING: 3127600 CPU: 9064.12, 0.00290201/step Wall: 9064.12, 0.00290201/step, 1.50937 hours remaining, 208.906250 MB of memory in use. ENERGY: 3127600 713.0975 2117.4306 1968.0228 117.5790 -206037.9152 17574.5396 0.0000 0.0000 34076.6031 -149470.6426 297.5995 -183547.2457 -149378.4799 298.5662 -186.8599 -153.3605 557702.3586 -0.2423 -0.3731 PRESSURE: 3127800 -5.25596 113.398 97.9402 113.399 -241.867 -28.8001 97.9412 -28.7991 -76.0242 GPRESSURE: 3127800 49.9271 159.411 145.449 80.0272 -152.226 28.4426 89.6093 -32.7884 -129.502 PRESSAVG: 3127800 21.1298 17.6192 -5.11045 17.6192 -13.815 -41.7084 -5.11046 -41.7083 -21.2327 GPRESSAVG: 3127800 22.3033 18.3516 -5.19594 16.9313 -15.5426 -41.7837 -4.65661 -40.2352 -21.009 TIMING: 3127800 CPU: 9064.7, 0.00289475/step Wall: 9064.7, 0.00289475/step, 1.50543 hours remaining, 208.906250 MB of memory in use. ENERGY: 3127800 732.6151 2108.0420 1952.9591 110.9481 -206309.4961 17743.1043 0.0000 0.0000 34072.7093 -149589.1182 297.5654 -183661.8275 -149494.3118 297.7610 -107.7158 -77.2669 558180.8484 -4.6393 -4.7494 PRESSURE: 3128000 7.65973 17.3484 -45.0292 17.3501 77.1646 161.785 -45.0294 161.785 -116.404 GPRESSURE: 3128000 -2.57806 -20.8329 -50.1569 71.2805 140.272 158.568 -112.994 212.405 -90.0349 PRESSAVG: 3128000 3.90445 9.78121 4.2935 9.78116 -38.413 -7.15743 4.29348 -7.15737 33.312 GPRESSAVG: 3128000 3.3417 9.46387 1.75612 10.8901 -36.0081 -6.88267 6.25012 -7.75986 31.8414 TIMING: 3128000 CPU: 9065.27, 0.00286471/step Wall: 9065.27, 0.00286471/step, 1.48965 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3128000 754.3791 2091.5634 1937.1720 123.4375 -206771.2424 17990.1538 0.0000 0.0000 34254.0632 -149620.4733 299.1493 -183874.5365 -149535.4363 298.1218 -10.5266 15.8865 558180.0927 -0.3989 -0.2750 PRESSURE: 3128200 -141.433 -13.8397 -33.2815 -13.8381 128.469 -0.741928 -33.2813 -0.742165 -329.107 GPRESSURE: 3128200 -141.094 38.1145 10.3454 4.98927 169.195 -61.5399 4.1546 18.9657 -273.992 PRESSAVG: 3128200 33.6774 -39.8062 -17.6272 -39.8062 2.81089 -33.1477 -17.6273 -33.1477 -3.66726 GPRESSAVG: 3128200 32.9593 -40.9056 -14.5224 -38.0687 0.330982 -34.1767 -19.7022 -33.3148 -0.676784 TIMING: 3128200 CPU: 9065.84, 0.00286374/step Wall: 9065.84, 0.00286374/step, 1.48899 hours remaining, 208.906250 MB of memory in use. ENERGY: 3128200 747.9776 2071.8469 1949.6888 112.4142 -206684.7715 17879.0174 0.0000 0.0000 34326.2415 -149597.5850 299.7796 -183923.8266 -149498.7235 298.5542 -114.0236 -81.9640 556774.9360 10.9404 10.8712 LDB: ============= START OF LOAD BALANCING ============== 9069.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9069.23 LDB: =============== DONE WITH MIGRATION ================ 9069.23 LDB: ============= START OF LOAD BALANCING ============== 9069.52 LDB: Largest compute 4801 load 0.021555 is 18.3% of average load 0.118007 LDB: Average compute 0.001736 is 1.5% of average load 0.118007 LDB: TIME 9069.52 LOAD: AVG 0.118007 MAX 0.178419 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.699 MB LDB: TIME 9069.52 LOAD: AVG 0.118007 MAX 0.178419 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.762 MB LDB: TIME 9069.52 LOAD: AVG 0.118007 MAX 0.178419 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.762 MB LDB: ============== END OF LOAD BALANCING =============== 9069.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9069.53 PRESSURE: 3128400 -154.746 -59.247 -10.2773 -59.2469 -335.904 -146.34 -10.2779 -146.34 -291.429 GPRESSURE: 3128400 -199.808 -79.3482 15.8768 -64.0008 -246.772 -87.0069 26.6235 -209.05 -239.152 PRESSAVG: 3128400 13.1013 -26.6815 -51.0485 -26.6815 20.7346 -16.3522 -51.0485 -16.3523 2.19914 GPRESSAVG: 3128400 14.304 -27.7693 -52.0509 -25.9038 21.9184 -15.2908 -49.7397 -16.6296 0.407294 TIMING: 3128400 CPU: 9066.43, 0.0029467/step Wall: 9066.43, 0.0029467/step, 1.53196 hours remaining, 210.503906 MB of memory in use. ENERGY: 3128400 793.6464 2062.0073 1965.5573 107.3428 -206057.7009 17500.0662 0.0000 0.0000 34075.3561 -149553.7247 297.5886 -183629.0808 -149458.3606 297.7265 -260.6930 -228.5774 557224.8146 12.0117 12.2099 PRESSURE: 3128600 -380.563 42.9043 3.36594 42.9042 -109.894 -221.306 3.36542 -221.306 -83.7958 GPRESSURE: 3128600 -325.825 77.9263 -29.1605 -14.8225 -35.3 -311.534 38.3713 -205.075 -124.742 PRESSAVG: 3128600 58.4551 -0.0431596 -57.3066 -0.0431051 -37.3664 -14.1006 -57.3066 -14.1005 -27.2271 GPRESSAVG: 3128600 58.5701 -0.847098 -57.3502 -2.13162 -37.2594 -15.2554 -56.8064 -13.1648 -27.8425 TIMING: 3128600 CPU: 9067.01, 0.00288443/step Wall: 9067.01, 0.00288443/step, 1.49942 hours remaining, 210.503906 MB of memory in use. ENERGY: 3128600 768.2460 2131.1164 1939.8792 112.1581 -206290.2403 17627.4185 0.0000 0.0000 34019.8637 -149691.5584 297.1039 -183711.4220 -149601.6253 298.3769 -191.4176 -161.9558 556294.7279 -2.0461 -2.1773 PRESSURE: 3128800 27.5999 116.435 -6.80991 116.435 -255.251 -74.9227 -6.81048 -74.9221 -93.712 GPRESSURE: 3128800 22.1941 74.9754 49.8473 100.868 -171.463 -86.8033 -130.393 -42.1607 -70.9524 PRESSAVG: 3128800 -31.5362 26.0966 27.686 26.0966 1.54625 -13.4896 27.6861 -13.4894 -41.0942 GPRESSAVG: 3128800 -33.0641 27.4621 28.3517 26.4674 1.31291 -13.5213 25.3953 -14.2472 -39.0973 TIMING: 3128800 CPU: 9067.58, 0.00287866/step Wall: 9067.58, 0.00287866/step, 1.49626 hours remaining, 210.503906 MB of memory in use. ENERGY: 3128800 738.7631 2098.1098 1964.4340 113.3945 -206643.8610 17781.4142 0.0000 0.0000 34292.1992 -149655.5462 299.4823 -183947.7454 -149556.7919 298.3824 -107.1209 -73.4070 557349.2572 -23.6947 -23.6162 PRESSURE: 3129000 204.482 67.0218 -71.7402 67.022 39.6483 98.2313 -71.741 98.2323 -106.28 GPRESSURE: 3129000 263.29 48.018 -54.1663 -29.1294 12.3567 68.7046 -60.3012 161.227 -52.7607 PRESSAVG: 3129000 36.9777 9.47518 3.84399 9.47519 -43.88 50.7508 3.844 50.7507 -16.7022 GPRESSAVG: 3129000 38.4495 9.81116 2.15954 7.9962 -44.1682 51.4129 6.90681 51.9844 -18.1059 TIMING: 3129000 CPU: 9068.16, 0.00289034/step Wall: 9068.16, 0.00289034/step, 1.50217 hours remaining, 210.503906 MB of memory in use. ENERGY: 3129000 746.1072 2082.5784 1965.9090 108.7839 -206438.1983 17852.2502 0.0000 0.0000 34045.0049 -149637.5647 297.3235 -183682.5696 -149547.8889 298.0094 45.9499 74.2954 556369.5630 -7.8682 -7.9415 PRESSURE: 3129200 -178.596 131.585 45.7378 131.585 16.8223 101.87 45.737 101.87 -348.262 GPRESSURE: 3129200 -142.344 44.3427 26.0021 128.198 64.0086 155.513 46.8634 37.6872 -326.712 PRESSAVG: 3129200 24.9943 8.61316 -45.5706 8.6132 2.16355 48.2186 -45.5706 48.2186 18.1764 GPRESSAVG: 3129200 25.6287 9.40622 -46.1001 11.1678 1.53908 46.1026 -46.9836 47.4935 18.4555 TIMING: 3129200 CPU: 9068.74, 0.00289563/step Wall: 9068.74, 0.00289563/step, 1.50476 hours remaining, 210.503906 MB of memory in use. ENERGY: 3129200 757.1294 2093.5217 1949.7777 112.6747 -206378.4810 17699.1860 0.0000 0.0000 34238.0293 -149528.1621 299.0092 -183766.1915 -149427.1574 297.6366 -170.0118 -135.0158 557420.8250 15.1114 15.2078 PRESSURE: 3129400 -101.316 -76.5237 109.269 -76.5227 11.6184 -251.105 109.268 -251.105 -99.1131 GPRESSURE: 3129400 -90.2113 5.33338 139.894 -182.088 60.9209 -322.625 112.078 -214.16 -60.7356 PRESSAVG: 3129400 -23.7595 -45.3649 -22.6963 -45.365 34.2926 -4.18684 -22.6964 -4.18693 -26.9852 GPRESSAVG: 3129400 -24.2702 -44.4008 -23.6135 -46.1394 35.4304 -3.77696 -22.0173 -3.09704 -27.7536 TIMING: 3129400 CPU: 9069.32, 0.00289233/step Wall: 9069.32, 0.00289233/step, 1.50289 hours remaining, 210.503906 MB of memory in use. ENERGY: 3129400 769.5804 2091.8231 1931.3226 106.3697 -206197.5261 17846.3081 0.0000 0.0000 34109.4930 -149342.6291 297.8867 -183452.1221 -149244.3867 298.2875 -62.9369 -30.0087 557637.3064 -5.4840 -5.5311 PRESSURE: 3129600 67.4224 -71.354 155.656 -71.3543 0.0268196 83.9052 155.655 83.9035 181.274 GPRESSURE: 3129600 133.361 -12.193 96.7931 -148.21 11.0796 -19.4216 131.657 139.926 206.425 PRESSAVG: 3129600 -74.0186 3.23546 33.7743 3.2355 53.128 32.6228 33.7743 32.6229 -5.30578 GPRESSAVG: 3129600 -74.0789 1.52899 38.1495 4.62631 53.382 34.1548 33.067 31.5997 -5.55157 TIMING: 3129600 CPU: 9069.9, 0.00288646/step Wall: 9069.9, 0.00288646/step, 1.49967 hours remaining, 210.792969 MB of memory in use. ENERGY: 3129600 748.9661 2043.4414 1950.1238 112.3439 -206458.0590 18130.4835 0.0000 0.0000 34123.2386 -149349.4618 298.0067 -183472.7004 -149249.2557 298.7788 82.9078 116.9552 558549.1543 -8.7321 -8.7495 PRESSURE: 3129800 -60.8747 -45.67 -47.7411 -45.6718 -211.792 -168.99 -47.7416 -168.991 190.369 GPRESSURE: 3129800 -38.9001 -40.2037 -102.022 -37.8547 -171.047 -204.905 2.43615 -101.333 223.714 PRESSAVG: 3129800 -37.0836 -10.6819 47.8863 -10.6818 -37.3335 -47.595 47.8863 -47.595 45.4581 GPRESSAVG: 3129800 -37.345 -10.5355 44.8007 -13.3995 -37.5009 -47.48 48.6506 -46.3466 45.8327 TIMING: 3129800 CPU: 9070.47, 0.00289251/step Wall: 9070.47, 0.00289251/step, 1.50266 hours remaining, 210.792969 MB of memory in use. ENERGY: 3129800 773.1068 2085.5744 1950.6949 117.7423 -206048.2532 17647.0938 0.0000 0.0000 34227.4814 -149246.5595 298.9171 -183474.0410 -149162.9780 298.2716 -27.4325 4.5889 555862.9442 -9.6530 -9.6711 PRESSURE: 3130000 -32.2099 -149.926 79.1656 -149.925 151.398 20.5849 79.1655 20.5847 286.704 GPRESSURE: 3130000 -2.7089 -135.578 94.4507 -164.102 185.067 -161.764 66.1139 125.871 320.254 PRESSAVG: 3130000 21.5257 0.0733301 20.7741 0.0733577 1.67643 -31.5079 20.774 -31.5079 0.459831 GPRESSAVG: 3130000 22.5932 1.58477 22.0454 -0.0116255 1.34974 -33.5137 19.7961 -31.9367 -0.38761 TIMING: 3130000 CPU: 9071.05, 0.00288811/step Wall: 9071.05, 0.00288811/step, 1.50021 hours remaining, 210.792969 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: 3130000 760.8724 2061.4289 1993.0909 118.7102 -206234.3373 17799.4663 0.0000 0.0000 34210.2441 -149290.5245 298.7666 -183500.7686 -149192.9863 299.3951 135.2973 167.5374 554684.3441 7.8873 7.8518 PRESSURE: 3130200 173.799 5.66219 -6.89605 5.66324 27.6431 121.909 -6.89599 121.909 -189.609 GPRESSURE: 3130200 192.447 22.8421 44.3686 26.7046 112.981 -14.4926 -9.49111 146.163 -185.326 PRESSAVG: 3130200 18.4065 14.0225 29.4384 14.0224 77.5249 45.7135 29.4384 45.7134 -58.6126 GPRESSAVG: 3130200 16.8431 14.0366 31.5343 12.99 78.484 46.8661 29.45 46.7245 -58.1699 TIMING: 3130200 CPU: 9071.63, 0.00288809/step Wall: 9071.63, 0.00288809/step, 1.50004 hours remaining, 210.792969 MB of memory in use. ENERGY: 3130200 747.4767 2111.7599 1982.3980 114.8918 -206184.4989 17781.6602 0.0000 0.0000 34114.4939 -149331.8183 297.9304 -183446.3122 -149234.7480 298.6750 3.9443 40.0339 556517.5353 12.4396 12.3857 PRESSURE: 3130400 232.933 69.758 256.422 69.7592 -10.9271 -118.464 256.423 -118.464 -124.384 GPRESSURE: 3130400 226.321 63.582 289.521 72.4959 -27.3765 -15.0103 234.921 -173.399 15.9743 PRESSAVG: 3130400 54.7677 27.6273 42.5494 27.6273 -33.2811 -18.1346 42.5495 -18.1347 -1.32546 GPRESSAVG: 3130400 54.9021 26.8828 39.4541 28.4706 -33.3851 -17.8945 43.1605 -19.5183 -1.06539 TIMING: 3130400 CPU: 9072.2, 0.00286589/step Wall: 9072.2, 0.00286589/step, 1.48835 hours remaining, 210.996094 MB of memory in use. ENERGY: 3130400 749.6116 2104.2276 1956.6144 121.7371 -206703.4980 17960.9237 0.0000 0.0000 34233.9844 -149576.3992 298.9739 -183810.3836 -149477.7426 298.4570 32.5407 71.6396 556359.5291 6.7204 6.8172 PRESSURE: 3130600 -137.729 75.4153 -31.3793 75.4163 -205.201 47.4437 -31.3786 47.4421 110.66 GPRESSURE: 3130600 -98.1462 102.309 -57.8165 125.924 -169.416 34.4888 -50.3246 30.9726 143.868 PRESSAVG: 3130600 -30.9919 8.59688 71.4046 8.59681 -11.3948 -3.46129 71.4045 -3.46132 18.9118 GPRESSAVG: 3130600 -29.3773 7.81413 71.3642 10.3378 -11.7166 -3.17096 71.6686 -4.53917 17.7091 TIMING: 3130600 CPU: 9072.78, 0.00286509/step Wall: 9072.78, 0.00286509/step, 1.48778 hours remaining, 210.996094 MB of memory in use. ENERGY: 3130600 761.2531 2070.2386 1964.3004 123.1726 -206399.8980 17630.0848 0.0000 0.0000 34196.1550 -149654.6935 298.6435 -183850.8485 -149556.3413 298.3051 -77.4229 -41.2313 556757.2949 -7.8250 -7.7949 PRESSURE: 3130800 -175.296 -215.938 47.715 -215.938 -118.441 -158.428 47.7147 -158.43 127.575 GPRESSURE: 3130800 -81.2696 -195.901 82.022 -209.362 -99.9601 -96.8355 34.4403 -177.904 115.58 PRESSAVG: 3130800 5.12226 27.7248 -16.6062 27.7248 111.128 14.2427 -16.6061 14.2427 -113.712 GPRESSAVG: 3130800 4.58295 26.4331 -16.5611 26.7872 110.324 13.5643 -16.4809 14.9588 -113.266 TIMING: 3130800 CPU: 9073.35, 0.0028776/step Wall: 9073.35, 0.0028776/step, 1.49411 hours remaining, 210.996094 MB of memory in use. ENERGY: 3130800 724.9437 2133.8752 1938.0917 107.3082 -206830.9356 17855.0538 0.0000 0.0000 34171.5079 -149900.1551 298.4283 -184071.6630 -149806.8912 298.1592 -55.3875 -21.8831 555970.8381 0.8464 0.5468 PRESSURE: 3131000 237.036 144.311 65.0418 144.311 113.624 19.5355 65.0407 19.5362 32.0727 GPRESSURE: 3131000 318.063 138.567 125.116 139.873 163.034 31.2804 13.8539 -8.26934 3.31748 PRESSAVG: 3131000 23.3671 57.7709 -10.0759 57.7708 -9.96544 -15.1606 -10.0758 -15.1606 9.00118 GPRESSAVG: 3131000 22.8027 56.7676 -10.6668 58.7217 -9.2867 -16.0932 -10.1842 -14.5376 8.63204 TIMING: 3131000 CPU: 9073.94, 0.00292139/step Wall: 9073.94, 0.00292139/step, 1.51669 hours remaining, 210.996094 MB of memory in use. ENERGY: 3131000 756.5900 2094.0659 1918.2109 107.2425 -206839.1092 18086.4380 0.0000 0.0000 34021.8974 -149854.6644 297.1217 -183876.5618 -149758.4533 297.6705 127.5777 161.4716 557352.8440 7.4676 7.3827 PRESSURE: 3131200 13.831 -38.1219 16.3949 -38.1213 -6.97817 68.363 16.3953 68.3633 -198.99 GPRESSURE: 3131200 1.52932 -67.286 -81.6465 -20.8647 31.6245 103.359 71.1581 -7.38183 -120.645 PRESSAVG: 3131200 -29.2756 62.5446 -28.536 62.5447 50.5901 2.58632 -28.5361 2.58619 -34.9005 GPRESSAVG: 3131200 -28.5255 64.1318 -27.2543 63.1656 49.0618 2.85164 -29.7417 3.40728 -34.3056 TIMING: 3131200 CPU: 9074.52, 0.00291587/step Wall: 9074.52, 0.00291587/step, 1.51366 hours remaining, 210.996094 MB of memory in use. ENERGY: 3131200 757.7521 2083.0088 1966.4484 101.5928 -206850.0438 17900.0510 0.0000 0.0000 34165.1384 -149876.0524 298.3727 -184041.1908 -149785.1949 297.5086 -64.0456 -29.1636 556039.3931 -4.5287 -4.5897 PRESSURE: 3131400 -168.178 -81.613 -126.363 -81.6129 -171.994 169.086 -126.362 169.087 -194.033 GPRESSURE: 3131400 -85.8454 -138.596 -61.7738 12.9807 -175.384 133.399 -193.12 138.431 -162.962 PRESSAVG: 3131400 18.5214 -57.4187 9.39674 -57.4188 42.5761 -22.8376 9.39668 -22.8375 -29.3156 GPRESSAVG: 3131400 18.3845 -57.0841 8.52397 -57.9476 44.1564 -24.3643 10.1519 -22.1115 -30.5564 TIMING: 3131400 CPU: 9075.1, 0.00289657/step Wall: 9075.1, 0.00289657/step, 1.50348 hours remaining, 210.996094 MB of memory in use. ENERGY: 3131400 759.4775 2105.8117 1917.8418 108.4565 -206730.0104 17778.2301 0.0000 0.0000 34161.7181 -149898.4746 298.3428 -184060.1927 -149799.1798 297.4519 -178.0682 -141.3973 558593.4439 10.5940 10.6615 PRESSURE: 3131600 -100.804 -132.631 -41.8625 -132.632 232.595 -45.9812 -41.8623 -45.9793 -216.928 GPRESSURE: 3131600 -89.9532 -266.872 -41.9113 -71.6364 327.622 -72.3528 -95.07 14.7796 -235.882 PRESSAVG: 3131600 20.4841 -56.2524 -27.5997 -56.2525 22.8797 -18.3745 -27.5997 -18.3746 -40.5069 GPRESSAVG: 3131600 20.5833 -56.2195 -25.5405 -56.3114 23.5377 -16.5862 -31.2862 -18.9805 -40.7326 TIMING: 3131600 CPU: 9075.68, 0.00288425/step Wall: 9075.68, 0.00288425/step, 1.49693 hours remaining, 210.996094 MB of memory in use. ENERGY: 3131600 771.5483 2081.5678 1951.9992 114.4292 -206813.0585 18021.4981 0.0000 0.0000 33968.1654 -149903.8505 296.6524 -183872.0159 -149803.9761 297.4293 -28.3789 0.5959 558608.1680 0.9523 1.1295 PRESSURE: 3131800 -38.6069 -49.7983 -76.2773 -49.7987 243.205 5.6761 -76.2763 5.67591 332.441 GPRESSURE: 3131800 11.4548 -3.52135 -103.802 -33.2748 272.308 -110.513 -103.999 32.2268 347.381 PRESSAVG: 3131800 -75.7935 3.45386 -58.4466 3.45379 57.9355 -5.16405 -58.4466 -5.16398 15.419 GPRESSAVG: 3131800 -76.2597 3.61474 -60.9462 3.72275 58.4114 -6.1818 -54.1342 -5.94392 15.5683 TIMING: 3131800 CPU: 9076.25, 0.00289778/step Wall: 9076.25, 0.00289778/step, 1.50379 hours remaining, 210.996094 MB of memory in use. ENERGY: 3131800 733.8535 2074.8969 1944.8600 117.9497 -206771.5909 18154.1596 0.0000 0.0000 33937.0793 -149808.7920 296.3810 -183745.8712 -149715.4146 297.0330 179.0131 210.3813 556180.8432 -0.8130 -0.7600 PRESSURE: 3132000 135.11 199.198 -32.5114 199.196 43.9009 51.7226 -32.51 51.7201 208.536 GPRESSURE: 3132000 132.851 200.112 -83.771 176.416 92.0513 28.6712 14.3121 -1.35487 268.798 PRESSAVG: 3132000 39.7698 -0.721641 -0.287658 -0.721573 -20.1237 15.4355 -0.287722 15.4354 -11.1194 GPRESSAVG: 3132000 39.4783 0.156324 -0.618391 -2.14148 -20.2289 16.7239 0.589974 15.9649 -10.6616 TIMING: 3132000 CPU: 9076.83, 0.00288824/step Wall: 9076.83, 0.00288824/step, 1.49867 hours remaining, 210.996094 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: 3132000 771.8571 2074.1486 1964.6638 120.0332 -206553.7927 17982.7525 0.0000 0.0000 34016.1122 -149624.2255 297.0712 -183640.3377 -149531.1172 297.6035 129.1824 164.5666 556957.0697 2.8422 2.8626 PRESSURE: 3132200 -185.796 92.2584 -194.18 92.2586 -239.8 -48.4604 -194.178 -48.4614 -231.791 GPRESSURE: 3132200 -180.661 43.165 -177.737 43.0853 -151.458 -33.2446 -140.731 -91.0979 -230.217 PRESSAVG: 3132200 30.9502 -18.8642 48.2425 -18.8642 -17.7495 29.3068 48.2425 29.3068 -62.1402 GPRESSAVG: 3132200 30.6421 -20.8918 48.0705 -18.263 -17.8307 26.2283 47.9054 29.9752 -61.8313 TIMING: 3132200 CPU: 9077.41, 0.00290398/step Wall: 9077.41, 0.00290398/step, 1.50668 hours remaining, 210.996094 MB of memory in use. ENERGY: 3132200 752.4629 2100.3176 1925.5442 114.1867 -206124.3061 17637.5200 0.0000 0.0000 34041.2566 -149553.0180 297.2908 -183594.2746 -149459.1980 298.0257 -219.1290 -187.4457 559187.3393 -16.3132 -16.3399 LDB: ============= START OF LOAD BALANCING ============== 9080.8 LDB: ============== END OF LOAD BALANCING =============== 9080.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9080.8 LDB: ============= START OF LOAD BALANCING ============== 9081.09 LDB: Largest compute 4801 load 0.022792 is 19.3% of average load 0.117899 LDB: Average compute 0.001734 is 1.5% of average load 0.117899 LDB: TIME 9081.09 LOAD: AVG 0.117899 MAX 0.179459 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.863 MB LDB: TIME 9081.09 LOAD: AVG 0.117899 MAX 0.179459 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.934 MB LDB: TIME 9081.09 LOAD: AVG 0.117899 MAX 0.179459 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.934 MB LDB: ============== END OF LOAD BALANCING =============== 9081.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9081.1 PRESSURE: 3132400 -344.399 -130.951 138.476 -130.95 -82.5427 -30.2925 138.476 -30.2913 29.0275 GPRESSURE: 3132400 -308.5 -116.011 159.978 -131.962 -37.6438 -19.0217 144.019 -32.713 43.9928 PRESSAVG: 3132400 -37.9579 -22.1134 -45.5678 -22.1133 -1.94052 12.6449 -45.5678 12.645 -17.2417 GPRESSAVG: 3132400 -36.5231 -21.7731 -45.4755 -23.1803 -2.83053 15.1815 -47.9058 12.4302 -17.2616 TIMING: 3132400 CPU: 9078, 0.00293669/step Wall: 9078, 0.00293669/step, 1.52349 hours remaining, 209.675781 MB of memory in use. ENERGY: 3132400 760.9934 2117.6107 1950.9035 112.7080 -206323.7233 17839.5307 0.0000 0.0000 33948.7543 -149593.2226 296.4829 -183541.9770 -149503.4904 298.4814 -132.6381 -100.7171 559422.6642 -19.0467 -18.8717 PRESSURE: 3132600 -162.59 -61.2323 300.445 -61.2311 -545.34 1.33026 300.444 1.33009 -363.806 GPRESSURE: 3132600 -184.038 -74.7225 258.681 -10.7693 -400.07 -112.632 263.408 43.9243 -392.566 PRESSAVG: 3132600 9.42383 14.968 85.1476 14.9678 -0.736103 20.4168 85.1476 20.4169 -7.65055 GPRESSAVG: 3132600 8.40097 16.0057 84.5901 15.7659 0.673729 20.3495 88.4819 20.5798 -8.11541 TIMING: 3132600 CPU: 9078.58, 0.00289246/step Wall: 9078.58, 0.00289246/step, 1.50038 hours remaining, 209.675781 MB of memory in use. ENERGY: 3132600 766.3186 2082.7380 1968.8298 119.5435 -206081.3483 17462.5864 0.0000 0.0000 34135.9502 -149545.3819 298.1177 -183681.3321 -149452.5605 297.9755 -357.2451 -325.5580 560380.2114 0.3457 0.3198 PRESSURE: 3132800 -74.9596 61.5132 135.135 61.5136 -137.859 -200.306 135.135 -200.306 -101.019 GPRESSURE: 3132800 -64.6438 29.6899 100.94 48.4312 -111.691 -212.312 121.966 -131.263 -39.847 PRESSAVG: 3132800 -15.7029 40.7756 50.2772 40.7755 -19.8394 3.98318 50.2772 3.98319 27.8586 GPRESSAVG: 3132800 -14.3816 39.963 51.5201 41.4701 -21.4183 2.01891 47.8275 3.18626 28.1164 TIMING: 3132800 CPU: 9079.16, 0.00290563/step Wall: 9079.16, 0.00290563/step, 1.50706 hours remaining, 209.675781 MB of memory in use. ENERGY: 3132800 749.8227 2133.5228 1944.8966 105.0705 -206158.3612 17675.7825 0.0000 0.0000 34130.1016 -149419.1644 298.0667 -183549.2661 -149324.4862 297.7997 -104.6128 -72.0607 558335.3502 -2.5612 -2.5612 PRESSURE: 3133000 134.962 17.0642 45.1815 17.065 174.293 -18.1776 45.1826 -18.1764 -242.57 GPRESSURE: 3133000 205.467 65.8074 30.0618 -14.4596 160.283 -7.28598 25.4933 -88.3941 -194.919 PRESSAVG: 3133000 20.7453 -36.8144 39.8257 -36.8143 -3.62023 16.5947 39.8257 16.5946 -8.48439 GPRESSAVG: 3133000 19.5619 -35.6405 38.2451 -37.9805 -2.63265 17.3518 39.9254 17.3011 -8.59022 TIMING: 3133000 CPU: 9079.74, 0.00289952/step Wall: 9079.74, 0.00289952/step, 1.50372 hours remaining, 209.675781 MB of memory in use. ENERGY: 3133000 756.8330 2078.7153 1946.8321 109.1923 -206605.4623 18033.7769 0.0000 0.0000 34216.5948 -149463.5179 298.8220 -183680.1127 -149370.4610 298.4313 22.2284 56.9438 557473.7702 2.8802 2.7797 PRESSURE: 3133200 75.6621 -61.5261 79.3812 -61.5269 -104.441 -159.117 79.3814 -159.117 119.905 GPRESSURE: 3133200 83.378 -84.471 126.604 8.18587 -60.9293 -179.027 -18.4205 -118.025 151.302 PRESSAVG: 3133200 -14.1579 40.482 50.0456 40.4819 -9.76391 -61.0661 50.0456 -61.0661 -19.7245 GPRESSAVG: 3133200 -13.5211 38.8448 48.6484 41.5058 -10.8856 -61.3313 51.3359 -59.9153 -20.0224 TIMING: 3133200 CPU: 9080.32, 0.00289606/step Wall: 9080.32, 0.00289606/step, 1.50177 hours remaining, 209.675781 MB of memory in use. ENERGY: 3133200 720.0671 2121.8552 1964.5759 110.8022 -206454.8816 17896.1560 0.0000 0.0000 34204.1165 -149437.3086 298.7131 -183641.4251 -149337.9320 298.6571 30.3755 57.9170 558131.0784 -14.5487 -14.8097 PRESSURE: 3133400 101.372 -97.3133 -88.3693 -97.3135 -200.639 159.504 -88.3689 159.503 -168.788 GPRESSURE: 3133400 143.785 -35.2167 -45.4851 -122.29 -178.074 119.113 -45.6683 157.329 -139.719 PRESSAVG: 3133400 17.2875 8.63695 -15.0306 8.63697 -40.6868 -75.0464 -15.0307 -75.0463 -5.99271 GPRESSAVG: 3133400 15.9419 10.8842 -13.1591 7.44476 -39.7558 -74.5123 -15.5299 -76.9691 -5.74021 TIMING: 3133400 CPU: 9080.9, 0.00289925/step Wall: 9080.9, 0.00289925/step, 1.50326 hours remaining, 209.675781 MB of memory in use. ENERGY: 3133400 711.9722 2159.2102 1966.2584 105.8720 -206110.1377 17542.4189 0.0000 0.0000 34280.7122 -149343.6938 299.3820 -183624.4060 -149245.1546 298.1173 -89.3516 -58.0026 557221.8276 -9.7973 -9.8514 PRESSURE: 3133600 -68.17 128.768 -37.7144 128.767 -292.412 -210.815 -37.7141 -210.815 -88.9432 GPRESSURE: 3133600 -68.1428 70.7571 -44.8074 160.116 -254.319 -231.934 -73.3938 -205.623 -21.9291 PRESSAVG: 3133600 18.8265 53.0307 23.7118 53.0307 -25.6337 -42.1621 23.7118 -42.1622 -21.7303 GPRESSAVG: 3133600 18.9495 52.4459 23.0422 51.9012 -26.0867 -41.3418 26.3048 -41.4791 -21.3423 TIMING: 3133600 CPU: 9081.48, 0.00291145/step Wall: 9081.48, 0.00291145/step, 1.50943 hours remaining, 209.675781 MB of memory in use. ENERGY: 3133600 770.0451 2126.6593 1936.1994 116.2976 -206274.4667 17550.2856 0.0000 0.0000 34326.5545 -149448.4253 299.7823 -183774.9798 -149351.0638 299.0898 -149.8416 -114.7969 556901.1064 -9.5125 -9.4932 PRESSURE: 3133800 -376.403 51.5845 30.6816 51.584 10.3444 -139.276 30.6812 -139.277 -293.094 GPRESSURE: 3133800 -326.148 104.376 -3.73074 49.3709 35.5137 -131.963 135.353 -150.483 -266.782 PRESSAVG: 3133800 -4.90095 5.6763 48.0224 5.67629 -28.0496 -35.1913 48.0223 -35.1911 44.2813 GPRESSAVG: 3133800 -4.02983 5.60715 50.6576 8.18331 -27.584 -37.1968 44.0634 -34.5745 43.6829 TIMING: 3133800 CPU: 9082.07, 0.00292115/step Wall: 9082.07, 0.00292115/step, 1.51429 hours remaining, 209.675781 MB of memory in use. ENERGY: 3133800 779.1232 2050.6545 1952.4041 124.5300 -205844.8492 17504.6763 0.0000 0.0000 34076.9263 -149356.5347 297.6023 -183433.4610 -149257.9210 299.5359 -219.7177 -185.8057 557651.5633 3.7769 4.0230 PRESSURE: 3134000 120.321 -66.4421 -48.6913 -66.4423 175.985 -72.471 -48.6899 -72.4694 -87.4055 GPRESSURE: 3134000 204.024 -4.17403 -118.45 -74.6501 162.603 -121.499 -59.5464 -99.5747 -57.8346 PRESSAVG: 3134000 15.461 47.9569 21.5287 47.9569 48.4376 15.7871 21.5288 15.7871 -56.4701 GPRESSAVG: 3134000 16.13 45.7878 18.6639 47.1705 46.8182 15.8422 23.203 17.3497 -55.5721 TIMING: 3134000 CPU: 9082.65, 0.00291133/step Wall: 9082.65, 0.00291133/step, 1.50904 hours remaining, 209.675781 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: 3134000 729.7079 2109.1988 1975.8575 107.5846 -206355.0657 17950.8965 0.0000 0.0000 34054.7611 -149427.0591 297.4087 -183481.8202 -149337.8709 298.3403 69.6334 102.9306 557897.8085 2.4762 2.4587 PRESSURE: 3134200 475.535 -137.774 -153.61 -137.773 344.993 -76.2415 -153.61 -76.2406 332.231 GPRESSURE: 3134200 430.06 -100.679 -154.961 -150.574 404.776 -28.9979 -80.0271 -74.0934 428.161 PRESSAVG: 3134200 22.6307 -23.1251 48.5891 -23.1252 -5.79149 -78.0345 48.589 -78.0346 31.6874 GPRESSAVG: 3134200 21.4172 -22.6878 48.8829 -22.2272 -4.27798 -78.6814 51.1192 -78.2597 30.9769 TIMING: 3134200 CPU: 9083.23, 0.00291405/step Wall: 9083.23, 0.00291405/step, 1.51029 hours remaining, 209.675781 MB of memory in use. ENERGY: 3134200 727.4751 2055.5065 1977.1660 113.0741 -206897.5279 18413.3420 0.0000 0.0000 34273.7970 -149337.1672 299.3216 -183610.9642 -149240.2595 298.2848 384.2531 420.9990 556468.9306 16.1755 16.0387 PRESSURE: 3134400 -179.968 74.7898 216.648 74.7908 -225.507 -61.5003 216.649 -61.4992 -108.992 GPRESSURE: 3134400 -149.307 70.522 297.96 102.952 -208.005 11.3165 233.705 -35.8884 -58.7965 PRESSAVG: 3134400 52.1125 26.5812 12.9225 26.5811 -18.8944 -12.1465 12.9225 -12.1464 -48.5868 GPRESSAVG: 3134400 52.7876 27.8168 13.7633 27.4939 -18.493 -10.3747 11.2042 -14.5565 -49.6702 TIMING: 3134400 CPU: 9083.81, 0.00291906/step Wall: 9083.81, 0.00291906/step, 1.51272 hours remaining, 209.738281 MB of memory in use. ENERGY: 3134400 784.9899 2053.6850 1957.9631 107.6022 -206232.2826 17485.3177 0.0000 0.0000 34468.3303 -149374.3945 301.0205 -183842.7248 -149268.4937 299.5059 -171.4892 -138.7027 557143.7282 -5.1229 -5.1252 PRESSURE: 3134600 -143.472 59.087 -34.8304 59.0875 -351.735 30.659 -34.8303 30.6577 43.3965 GPRESSURE: 3134600 -114.958 20.3939 -40.4614 25.7426 -275.866 60.6697 -0.425994 33.4779 33.2023 PRESSAVG: 3134600 -49.9217 44.6368 55.571 44.6368 -55.2089 39.4792 55.571 39.4792 124.495 GPRESSAVG: 3134600 -50.6184 44.172 52.7455 43.1747 -54.8948 37.8868 55.8413 41.0316 124.58 TIMING: 3134600 CPU: 9084.4, 0.0029247/step Wall: 9084.4, 0.0029247/step, 1.51548 hours remaining, 209.738281 MB of memory in use. ENERGY: 3134600 729.7473 2090.5988 1944.7409 112.9931 -206102.4002 17640.3438 0.0000 0.0000 34399.0585 -149184.9178 300.4155 -183583.9763 -149082.6922 299.6105 -150.6037 -119.2070 558691.4013 6.4547 6.3555 PRESSURE: 3134800 250.959 54.7267 139.979 54.7272 217.462 83.7043 139.979 83.7039 93.2762 GPRESSURE: 3134800 273.394 2.82578 186.058 115.422 229.42 80.8787 110.071 58.0491 153.709 PRESSAVG: 3134800 -29.1272 43.1498 -15.9757 43.1498 -44.2211 56.282 -15.9756 56.282 37.1259 GPRESSAVG: 3134800 -28.0939 43.6227 -14.4447 42.501 -45.2768 57.7122 -17.4552 54.4295 37.321 TIMING: 3134800 CPU: 9084.98, 0.00291382/step Wall: 9084.98, 0.00291382/step, 1.50968 hours remaining, 209.738281 MB of memory in use. ENERGY: 3134800 715.8244 2048.9070 1961.9496 119.4229 -206383.3979 18156.1125 0.0000 0.0000 34422.7888 -148958.3928 300.6228 -183381.1816 -148856.9509 299.3909 187.2327 218.8406 557030.3950 -12.0741 -12.0166 PRESSURE: 3135000 27.6294 51.8594 23.9571 51.8595 -39.0231 102.209 23.956 102.209 110.426 GPRESSURE: 3135000 70.1988 -30.2522 -11.1839 156.418 -15.5965 117.454 76.7203 113.779 144.767 PRESSAVG: 3135000 51.9333 56.6057 30.0274 56.6056 27.1354 41.4781 30.0275 41.4781 3.8693 GPRESSAVG: 3135000 50.5189 55.8432 29.7197 57.2063 28.1149 41.2161 30.9376 43.3266 4.73412 TIMING: 3135000 CPU: 9085.56, 0.00290585/step Wall: 9085.56, 0.00290585/step, 1.50539 hours remaining, 209.738281 MB of memory in use. ENERGY: 3135000 741.3366 2086.1890 1953.7512 104.7339 -205990.4383 17676.5594 0.0000 0.0000 34360.3260 -149067.5421 300.0773 -183427.8681 -148968.5701 300.2210 33.0108 66.4563 557481.6224 27.6460 27.7893 PRESSURE: 3135200 -385.636 7.74278 44.0777 7.74195 -169.544 50.6691 44.0777 50.6687 157.527 GPRESSURE: 3135200 -337.297 -12.7918 51.759 44.6927 -138.118 51.6228 33.735 -15.9784 173.282 PRESSAVG: 3135200 37.4735 -15.5984 39.4373 -15.5984 34.5505 -28.356 39.4373 -28.3559 -68.7275 GPRESSAVG: 3135200 38.8723 -14.8321 41.6808 -15.4858 33.2138 -28.4733 39.4452 -31.5956 -69.2034 TIMING: 3135200 CPU: 9086.14, 0.00289596/step Wall: 9086.14, 0.00289596/step, 1.50011 hours remaining, 209.738281 MB of memory in use. ENERGY: 3135200 790.9082 2065.3304 1962.9314 111.6439 -205920.6577 17626.4738 0.0000 0.0000 34228.2833 -149135.0864 298.9241 -183363.3698 -149034.8179 298.9601 -132.5510 -100.7110 558077.4241 1.0988 0.9609 PRESSURE: 3135400 259.104 -58.2667 61.2669 -58.2665 330.843 119.835 61.2668 119.835 55.8755 GPRESSURE: 3135400 254.817 -77.8444 70.6936 -11.5423 401.3 61.0342 46.6255 48.8789 81.6168 PRESSAVG: 3135400 2.55905 42.3498 28.8451 42.3498 -22.2904 24.739 28.8451 24.739 0.0211018 GPRESSAVG: 3135400 2.32242 43.3457 26.888 41.4361 -22.4189 23.905 27.1724 27.6256 0.346458 TIMING: 3135400 CPU: 9086.72, 0.00289781/step Wall: 9086.72, 0.00289781/step, 1.5009 hours remaining, 209.738281 MB of memory in use. ENERGY: 3135400 736.8208 2110.0318 1949.0966 110.4060 -206302.8834 18065.3971 0.0000 0.0000 34188.3736 -149142.7576 298.5756 -183331.1312 -149052.4324 299.3295 215.2742 245.9112 557335.8091 -6.5701 -6.5833 PRESSURE: 3135600 -186.543 -110.721 -62.91 -110.72 -381.942 -51.1802 -62.9101 -51.1796 -230.666 GPRESSURE: 3135600 -194.72 -39.3544 -70.4038 -94.6035 -333.618 -100.058 -62.9031 -39.482 -174.791 PRESSAVG: 3135600 23.1613 -0.516137 2.48984 -0.516115 33.1033 -3.7956 2.48987 -3.79556 -54.2191 GPRESSAVG: 3135600 22.6682 -0.0704 0.88473 -1.33497 33.873 -2.85298 3.25107 -4.85494 -54.6211 TIMING: 3135600 CPU: 9087.3, 0.00290292/step Wall: 9087.3, 0.00290292/step, 1.50339 hours remaining, 209.738281 MB of memory in use. ENERGY: 3135600 752.0334 2081.2899 1955.6241 120.0798 -205586.5106 17454.1889 0.0000 0.0000 34235.0695 -148988.2251 298.9834 -183223.2946 -148888.9263 299.8374 -266.3836 -234.3760 559409.2695 0.6819 0.6400 PRESSURE: 3135800 68.7227 -70.4716 75.8975 -70.4705 138.22 -104.653 75.899 -104.653 -12.8623 GPRESSURE: 3135800 111.063 -97.2467 34.8734 -58.7136 183.318 -50.1912 43.0588 -114.549 3.28844 PRESSAVG: 3135800 13.9234 -100.343 1.91993 -100.343 -5.54972 -7.22998 1.91997 -7.22998 -40.3704 GPRESSAVG: 3135800 14.3339 -100.82 3.73659 -101.018 -5.84359 -6.93458 2.2306 -7.89249 -40.6217 TIMING: 3135800 CPU: 9087.88, 0.00289273/step Wall: 9087.88, 0.00289273/step, 1.49795 hours remaining, 209.738281 MB of memory in use. ENERGY: 3135800 785.2469 2049.9289 1947.3058 115.2716 -206152.3732 17994.9748 0.0000 0.0000 34395.6341 -148864.0111 300.3856 -183259.6452 -148771.2350 299.9445 64.6935 99.2232 557940.7066 -10.6656 -10.7105 PRESSURE: 3136000 11.2864 -19.9644 -238.397 -19.964 -59.5584 62.4071 -238.397 62.4065 120.174 GPRESSURE: 3136000 61.1261 89.2217 -204.476 -72.3232 -30.5488 36.2006 -214.66 83.136 131.554 PRESSAVG: 3136000 20.6936 3.98345 -47.8003 3.9835 45.7621 -17.3619 -47.8002 -17.3617 -45.323 GPRESSAVG: 3136000 21.5701 2.51181 -48.3798 4.39873 45.2068 -19.3619 -45.8445 -16.0887 -45.3539 TIMING: 3136000 CPU: 9088.46, 0.00289029/step Wall: 9088.46, 0.00289029/step, 1.49653 hours remaining, 209.738281 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: 3136000 758.8987 2109.8522 1961.9947 122.8865 -205999.9572 17560.8464 0.0000 0.0000 34495.0184 -148990.4602 301.2536 -183485.4786 -148885.8894 300.2000 23.9673 54.0436 555359.8731 7.0442 7.1410 PRESSURE: 3136200 82.8232 61.1573 70.3893 61.1581 -333.835 -43.3977 70.3888 -43.3973 52.1468 GPRESSURE: 3136200 96.0235 117.6 25.8722 27.6915 -280.736 9.57991 87.4015 -73.3397 95.3672 PRESSAVG: 3136200 7.36657 38.3698 -5.99316 38.37 12.713 20.5889 -5.99308 20.5888 8.21125 GPRESSAVG: 3136200 7.18509 37.347 -6.44647 40.1256 13.5366 23.0943 -5.69243 19.8972 7.37852 TIMING: 3136200 CPU: 9089.04, 0.002916/step Wall: 9089.04, 0.002916/step, 1.50968 hours remaining, 209.738281 MB of memory in use. ENERGY: 3136200 762.4935 2053.3560 1956.4960 110.4963 -205792.0425 17674.5072 0.0000 0.0000 34189.6218 -149045.0718 298.5865 -183234.6935 -148945.4333 299.9703 -66.2883 -29.7817 556501.4109 9.4303 9.3667 LDB: ============= START OF LOAD BALANCING ============== 9092.43 LDB: ============== END OF LOAD BALANCING =============== 9092.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9092.43 LDB: ============= START OF LOAD BALANCING ============== 9092.72 LDB: Largest compute 4801 load 0.023081 is 19.6% of average load 0.117987 LDB: Average compute 0.001733 is 1.5% of average load 0.117987 LDB: TIME 9092.72 LOAD: AVG 0.117987 MAX 0.177934 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.902 MB LDB: TIME 9092.72 LOAD: AVG 0.117987 MAX 0.177934 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.902 MB LDB: TIME 9092.72 LOAD: AVG 0.117987 MAX 0.177934 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.902 MB LDB: ============== END OF LOAD BALANCING =============== 9092.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9092.73 PRESSURE: 3136400 97.0306 -104.21 -138.811 -104.212 77.6675 61.5633 -138.812 61.5615 30.6319 GPRESSURE: 3136400 86.2421 -136.033 -139.621 -24.7598 122.769 94.7912 -156.993 75.9689 79.1909 PRESSAVG: 3136400 -15.1326 -40.5821 -41.9486 -40.5821 18.0288 -30.9234 -41.9486 -30.9234 28.2774 GPRESSAVG: 3136400 -15.585 -39.6703 -40.3249 -44.6074 16.8039 -32.2207 -43.5777 -29.9175 29.8996 TIMING: 3136400 CPU: 9089.64, 0.00296516/step Wall: 9089.64, 0.00296516/step, 1.53496 hours remaining, 209.929688 MB of memory in use. ENERGY: 3136400 757.1595 2042.0509 1961.3443 126.5197 -206384.7606 17933.9570 0.0000 0.0000 34389.2147 -149174.5145 300.3296 -183563.7292 -149074.5929 299.5243 68.4433 96.0674 556001.4421 10.3912 10.3728 PRESSURE: 3136600 -56.3729 85.275 -33.0151 85.2733 93.0954 -10.76 -33.015 -10.7594 33.2354 GPRESSURE: 3136600 -16.1557 22.6688 -68.8446 52.7064 160.224 -66.8567 -93.6132 32.2031 35.2118 PRESSAVG: 3136600 -37.8689 20.9362 28.6646 20.9362 -17.4148 -13.0892 28.6646 -13.0891 53.1532 GPRESSAVG: 3136600 -37.9525 20.6819 29.0392 23.1038 -17.8283 -12.893 27.8869 -14.8198 53.7279 TIMING: 3136600 CPU: 9090.22, 0.00290589/step Wall: 9090.22, 0.00290589/step, 1.50412 hours remaining, 210.128906 MB of memory in use. ENERGY: 3136600 722.9467 2058.1263 1960.3786 112.7651 -206017.6146 17551.8057 0.0000 0.0000 34238.5292 -149373.0630 299.0136 -183611.5922 -149274.5115 299.1328 23.3193 59.7599 555793.7801 -0.7102 -0.6843 PRESSURE: 3136800 231.746 -81.7718 -18.0418 -81.7718 -28.838 -29.5213 -18.0426 -29.5216 271.601 GPRESSURE: 3136800 199.135 -159.572 -49.3616 -17.3056 26.0535 -0.983785 -103.889 -82.9288 347.136 PRESSAVG: 3136800 -6.71044 -39.7749 27.8666 -39.7749 -70.4425 -87.0652 27.8665 -87.0652 65.0011 GPRESSAVG: 3136800 -7.09399 -41.7735 25.6926 -36.8222 -68.7189 -87.5216 29.7324 -86.2734 63.8429 TIMING: 3136800 CPU: 9090.8, 0.00290927/step Wall: 9090.8, 0.00290927/step, 1.50571 hours remaining, 210.128906 MB of memory in use. ENERGY: 3136800 722.5538 2034.3773 1964.8201 111.0892 -206077.2326 17861.1953 0.0000 0.0000 34100.8193 -149282.3778 297.8109 -183383.1970 -149181.5852 298.6699 158.1695 190.7746 556632.8465 -4.0506 -3.9900 PRESSURE: 3137000 -11.0504 -39.6858 14.1048 -39.6855 -239.045 -110.738 14.1052 -110.739 -69.038 GPRESSURE: 3137000 -35.436 -61.7788 92.3094 -59.527 -129.445 -169.693 -65.3704 -143.593 -54.6886 PRESSAVG: 3137000 -40.9213 2.64513 -21.8157 2.64519 -38.376 -48.513 -21.8158 -48.513 5.38192 GPRESSAVG: 3137000 -39.8625 4.47001 -21.6257 1.67259 -39.0405 -47.8513 -23.0304 -48.4468 5.12399 TIMING: 3137000 CPU: 9091.38, 0.00289589/step Wall: 9091.38, 0.00289589/step, 1.49862 hours remaining, 210.128906 MB of memory in use. ENERGY: 3137000 747.8212 1999.2113 1935.8058 126.0561 -206235.9076 17685.4381 0.0000 0.0000 34497.3595 -149244.2157 301.2740 -183741.5752 -149148.8007 299.3710 -106.3777 -73.1900 558228.9002 -24.6385 -24.5930 PRESSURE: 3137200 51.2565 69.0042 9.48576 69.0058 -343.981 -65.0663 9.48525 -65.0675 -86.1852 GPRESSURE: 3137200 82.1108 58.4277 -52.7367 131.488 -302.495 -24.5874 58.0886 -43.9306 -53.6251 PRESSAVG: 3137200 -73.6948 -73.0609 19.8293 -73.0609 -2.52532 -15.7624 19.8292 -15.7624 27.7192 GPRESSAVG: 3137200 -73.5623 -73.7162 21.2954 -73.0274 -1.88027 -17.5781 18.4932 -13.9005 26.7308 TIMING: 3137200 CPU: 9091.96, 0.00290295/step Wall: 9091.96, 0.00290295/step, 1.50212 hours remaining, 210.128906 MB of memory in use. ENERGY: 3137200 790.4080 2112.8969 1964.1120 109.4706 -206186.6208 17559.2280 0.0000 0.0000 34282.9135 -149367.5919 299.4012 -183650.5053 -149270.9658 298.7420 -126.3033 -91.3365 556805.0050 -16.1670 -16.2373 PRESSURE: 3137400 167.604 11.1825 72.0373 11.1826 135.634 -54.0907 72.0362 -54.0904 43.6463 GPRESSURE: 3137400 206.653 18.6401 53.8811 -80.5697 188.105 -63.3552 66.9411 39.8358 37.8368 PRESSAVG: 3137400 89.4005 -13.4592 6.76814 -13.4591 -40.8453 23.8898 6.76818 23.8898 -1.91565 GPRESSAVG: 3137400 87.8296 -16.0472 5.78368 -13.704 -40.0227 24.9068 7.58655 22.7514 -1.90533 TIMING: 3137400 CPU: 9092.54, 0.00292325/step Wall: 9092.54, 0.00292325/step, 1.51246 hours remaining, 210.128906 MB of memory in use. ENERGY: 3137400 708.2162 2127.3182 1934.8060 119.5557 -206513.5366 17899.4826 0.0000 0.0000 34328.6642 -149395.4936 299.8008 -183724.1578 -149305.3991 299.8840 115.6281 144.1982 557878.6673 15.5465 15.3005 PRESSURE: 3137600 -1.04508 163.635 -70.1436 163.634 -321.142 116.504 -70.1439 116.503 -40.2591 GPRESSURE: 3137600 26.3658 77.4957 -196.969 237.401 -241.034 165.123 -13.6209 54.596 -44.6257 PRESSAVG: 3137600 -8.25107 14.8768 27.6486 14.8768 -22.7518 7.51454 27.6485 7.5146 59.1316 GPRESSAVG: 3137600 -7.28042 17.9969 28.3965 14.6703 -23.5927 6.2556 26.8504 8.33727 59.2667 TIMING: 3137600 CPU: 9093.12, 0.00290841/step Wall: 9093.12, 0.00290841/step, 1.50462 hours remaining, 210.128906 MB of memory in use. ENERGY: 3137600 756.2084 2116.5801 1961.2340 109.5666 -206023.6670 17697.2116 0.0000 0.0000 34178.4919 -149204.3744 298.4893 -183382.8663 -149105.2913 299.4795 -120.8153 -86.4313 558923.5911 9.3762 9.4645 PRESSURE: 3137800 68.2996 -120.175 61.6324 -120.174 -217.132 -13.7962 61.6328 -13.7955 65.0835 GPRESSURE: 3137800 80.7812 -46.426 71.9717 -204.825 -184.172 -6.9466 45.1999 35.5371 114.88 PRESSAVG: 3137800 11.4591 21.5339 27.903 21.5339 -121.298 -12.0503 27.9029 -12.0503 93.3424 GPRESSAVG: 3137800 11.6168 21.534 27.7412 20.6225 -120.626 -11.7127 30.1262 -12.8771 92.8098 TIMING: 3137800 CPU: 9093.71, 0.00292167/step Wall: 9093.71, 0.00292167/step, 1.51131 hours remaining, 210.128906 MB of memory in use. ENERGY: 3137800 769.1064 2137.4731 1975.8253 111.4269 -206415.8424 17807.7224 0.0000 0.0000 34294.2318 -149320.0567 299.5001 -183614.2885 -149215.8132 298.9184 -27.9163 3.8297 557958.1077 -5.4987 -5.3999 PRESSURE: 3138000 -211.852 18.4387 -0.719817 18.4384 -13.1716 136.134 -0.718764 136.135 67.3572 GPRESSURE: 3138000 -196.811 18.4716 22.0669 75.2958 20.7432 179.243 -47.5416 -1.57281 115.341 PRESSAVG: 3138000 -43.5033 -19.9298 -15.2505 -19.9298 -53.5509 0.224519 -15.2504 0.224538 116.32 GPRESSAVG: 3138000 -43.4256 -18.8644 -16.0865 -21.0431 -53.4696 1.92912 -17.7163 -1.00549 116.757 TIMING: 3138000 CPU: 9094.29, 0.00292933/step Wall: 9094.29, 0.00292933/step, 1.51512 hours remaining, 210.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3138000 735.0299 2116.9082 1979.7837 102.9202 -206031.1321 17626.9591 0.0000 0.0000 34038.3364 -149431.1946 297.2653 -183469.5310 -149328.8375 299.0729 -52.5555 -20.2423 558031.5790 6.4220 6.6205 PRESSURE: 3138200 -37.1267 -13.9605 -19.616 -13.961 -107.419 -105.372 -19.6168 -105.37 -105.79 GPRESSURE: 3138200 9.12375 62.3119 9.84439 -28.5873 -123.992 -64.5918 14.338 -183.461 -40.9014 PRESSAVG: 3138200 35.2891 41.3111 -17.3493 41.311 -14.0192 2.09719 -17.3492 2.09726 -3.00725 GPRESSAVG: 3138200 35.4922 40.0063 -16.9776 44.212 -15.3216 0.951666 -14.5013 4.63222 -1.90246 TIMING: 3138200 CPU: 9094.87, 0.00289579/step Wall: 9094.87, 0.00289579/step, 1.49761 hours remaining, 210.128906 MB of memory in use. ENERGY: 3138200 776.2759 2118.5602 1954.5334 110.2518 -206434.8936 17942.0933 0.0000 0.0000 34100.9174 -149432.2617 297.8118 -183533.1791 -149331.0205 298.9060 -83.4453 -51.9232 557219.9402 6.0876 6.0894 PRESSURE: 3138400 377.292 -22.9224 -37.4239 -22.9232 229.186 -13.7633 -37.4237 -13.7633 169.518 GPRESSURE: 3138400 372.659 -32.8075 -58.9377 -26.7095 306.445 -34.3003 -93.2802 15.6254 205.139 PRESSAVG: 3138400 -12.0299 8.2544 23.7829 8.25444 -9.42897 23.6963 23.7829 23.6962 12.3046 GPRESSAVG: 3138400 -11.393 7.49788 24.6922 7.33255 -8.86928 23.6764 22.43 23.8004 10.4094 TIMING: 3138400 CPU: 9095.46, 0.00291134/step Wall: 9095.46, 0.00291134/step, 1.50548 hours remaining, 210.128906 MB of memory in use. ENERGY: 3138400 741.3957 2098.5801 1953.1528 121.9704 -206442.3094 18011.0110 0.0000 0.0000 34123.2232 -149392.9764 298.0066 -183516.1995 -149301.1563 298.2394 258.6651 294.7474 555207.1869 -3.0514 -3.2843 PRESSURE: 3138600 -178.089 -9.94004 68.4047 -9.94023 -146.629 -28.0348 68.4039 -28.0353 68.9971 GPRESSURE: 3138600 -92.9964 -19.8712 28.7724 -7.17725 -154.814 -10.0425 152.912 16.9375 84.7127 PRESSAVG: 3138600 67.123 -43.1197 41.502 -43.1196 -34.9469 3.24717 41.5019 3.24718 -18.5136 GPRESSAVG: 3138600 67.781 -40.0166 40.6621 -41.9665 -34.9391 4.29237 41.7418 2.27059 -19.5376 TIMING: 3138600 CPU: 9096.04, 0.00290952/step Wall: 9096.04, 0.00290952/step, 1.50438 hours remaining, 210.128906 MB of memory in use. ENERGY: 3138600 714.7341 2070.9979 1955.5839 110.3978 -205972.7226 17446.9603 0.0000 0.0000 34199.2747 -149474.7739 298.6708 -183674.0486 -149381.3737 298.4749 -85.2401 -54.3660 556123.5325 4.5542 4.4348 PRESSURE: 3138800 149.509 -5.83356 177.692 -5.83426 144.444 -3.21479 177.693 -3.21602 -316.92 GPRESSURE: 3138800 148.188 -13.0564 143.47 -53.9087 149.64 -15.9458 148.413 -20.7153 -216.892 PRESSAVG: 3138800 4.1399 6.31307 35.0188 6.31296 50.0698 -66.0116 35.0188 -66.0117 -84.1832 GPRESSAVG: 3138800 2.40032 6.08818 34.5069 4.2623 49.0961 -67.2184 34.5495 -65.8403 -81.8326 TIMING: 3138800 CPU: 9096.61, 0.00288189/step Wall: 9096.61, 0.00288189/step, 1.48994 hours remaining, 210.128906 MB of memory in use. ENERGY: 3138800 763.1513 2122.1758 1923.6467 111.0642 -206443.2189 17878.9625 0.0000 0.0000 34167.9980 -149476.2203 298.3976 -183644.2183 -149386.6306 298.5700 -7.6556 26.9789 557544.3098 -9.9912 -10.1121 PRESSURE: 3139000 -135.788 -194.328 2.42503 -194.328 -17.2958 -98.0423 2.42403 -98.0412 -62.5434 GPRESSURE: 3139000 -155.585 -202.346 9.41188 -217.894 36.4935 -116.743 -32.152 -119.428 -6.82123 PRESSAVG: 3139000 -11.0063 -25.3861 48.6199 -25.3861 37.2821 -8.80808 48.6199 -8.80793 -5.86577 GPRESSAVG: 3139000 -11.4348 -26.8347 47.9634 -24.2449 38.5484 -8.15107 48.1997 -11.8911 -7.0022 TIMING: 3139000 CPU: 9097.19, 0.00288009/step Wall: 9097.19, 0.00288009/step, 1.48885 hours remaining, 210.128906 MB of memory in use. ENERGY: 3139000 757.8678 2142.2436 1935.7433 124.0217 -206626.3791 17768.2367 0.0000 0.0000 34422.3910 -149475.8751 300.6193 -183898.2661 -149383.1168 298.9948 -71.8758 -41.9709 556494.4456 6.8033 6.7038 PRESSURE: 3139200 194.129 -259.256 72.6899 -259.255 85.7099 142.944 72.69 142.944 -179.38 GPRESSURE: 3139200 145.127 -215.605 -11.5309 -301.709 177.25 228.255 82.4857 103.068 -108.528 PRESSAVG: 3139200 -30.9045 -2.44279 11.6155 -2.44281 29.8415 -23.9938 11.6155 -23.9938 -59.2109 GPRESSAVG: 3139200 -31.2152 -3.53303 12.0407 -0.233275 29.7678 -23.6278 12.0511 -21.3666 -58.5764 TIMING: 3139200 CPU: 9097.77, 0.00289773/step Wall: 9097.77, 0.00289773/step, 1.4978 hours remaining, 210.128906 MB of memory in use. ENERGY: 3139200 779.5382 2142.8670 1958.4602 129.1841 -206452.6096 17947.0683 0.0000 0.0000 33963.3624 -149532.1294 296.6105 -183495.4918 -149445.6021 298.0695 33.4864 71.2830 555730.3308 -20.0913 -20.0079 PRESSURE: 3139400 66.1994 -118.065 -19.5792 -118.065 59.7343 -54.3108 -19.5793 -54.3095 31.4419 GPRESSURE: 3139400 73.5993 -164.93 -66.8854 -48.0537 81.4429 -57.5277 38.6469 -61.1503 85.3691 PRESSAVG: 3139400 11.5523 -57.9453 -1.08652 -57.9451 4.73055 -8.9617 -1.08648 -8.96169 16.2848 GPRESSAVG: 3139400 12.1112 -57.0576 -0.336546 -59.1714 3.11117 -8.79523 -1.95726 -10.2988 17.52 TIMING: 3139400 CPU: 9098.35, 0.00290072/step Wall: 9098.35, 0.00290072/step, 1.49919 hours remaining, 210.128906 MB of memory in use. ENERGY: 3139400 731.7537 2143.1507 1946.8491 114.1053 -206565.7114 17916.2398 0.0000 0.0000 34109.7792 -149603.8336 297.8892 -183713.6129 -149505.4617 298.2127 52.4585 80.1371 557583.6371 10.8559 10.9141 PRESSURE: 3139600 -261.648 -108.701 -59.9175 -108.702 -63.5286 44.3512 -59.9173 44.3511 15.4407 GPRESSURE: 3139600 -207.409 -110.048 -153.185 -80.5458 -72.1233 -18.8805 -29.1158 90.1657 78.4531 PRESSAVG: 3139600 -15.9351 22.697 17.5524 22.697 15.3707 -14.2064 17.5524 -14.2064 -2.60525 GPRESSAVG: 3139600 -16.3006 23.8829 16.5321 20.4874 16.1892 -14.3816 18.3892 -13.373 -2.73565 TIMING: 3139600 CPU: 9098.93, 0.00290051/step Wall: 9098.93, 0.00290051/step, 1.49892 hours remaining, 210.128906 MB of memory in use. ENERGY: 3139600 778.4068 2124.9212 1962.1007 122.1333 -206632.2827 17903.6829 0.0000 0.0000 34225.9312 -149515.1066 298.9036 -183741.0378 -149424.6437 297.5241 -103.2453 -67.0264 557087.3371 -1.0565 -0.9490 PRESSURE: 3139800 388.858 -100.811 15.5514 -100.81 40.2591 -107.861 15.5504 -107.861 -98.1825 GPRESSURE: 3139800 424.353 -154.68 35.5932 -27.8528 76.6146 -109.266 -20.7158 -62.9792 -83.7427 PRESSAVG: 3139800 -4.40232 -32.353 28.6492 -32.353 -27.2854 -8.84504 28.6493 -8.845 30.58 GPRESSAVG: 3139800 -4.20269 -31.473 28.7479 -31.3666 -27.3528 -10.3084 28.5166 -8.71183 30.3884 TIMING: 3139800 CPU: 9099.51, 0.00289246/step Wall: 9099.51, 0.00289246/step, 1.4946 hours remaining, 210.128906 MB of memory in use. ENERGY: 3139800 739.8459 2152.9263 1963.3512 114.4681 -206774.2060 18012.8687 0.0000 0.0000 34087.7243 -149703.0214 297.6966 -183790.7458 -149601.8720 298.1857 110.3116 139.0751 556504.6875 -0.3692 -0.3890 PRESSURE: 3140000 11.8971 206.894 -60.5508 206.894 140.51 82.0807 -60.5509 82.08 131.609 GPRESSURE: 3140000 28.7219 175.122 -75.4028 194.808 186.086 151.05 -4.7152 46.2405 171.357 PRESSAVG: 3140000 -16.4259 -4.42361 26.98 -4.42374 -35.6784 27.1662 26.9801 27.1662 38.5261 GPRESSAVG: 3140000 -15.8882 -2.74769 27.9818 -7.09138 -35.56 28.8515 26.4353 27.5283 37.6231 TIMING: 3140000 CPU: 9100.09, 0.00288662/step Wall: 9100.09, 0.00288662/step, 1.49142 hours remaining, 210.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3140000 735.5159 2114.9414 1938.8135 120.6991 -207004.5902 18240.2789 0.0000 0.0000 34215.8503 -149638.4912 298.8155 -183854.3415 -149543.0461 297.6122 94.6722 128.7217 554945.2894 -4.5261 -4.6084 PRESSURE: 3140200 -23.9405 -31.4753 -153.169 -31.4752 -376.345 2.94225 -153.169 2.94293 -284.79 GPRESSURE: 3140200 -12.2416 -37.6717 -134.664 9.22618 -397.629 129.626 -68.4725 -34.8338 -172.273 PRESSAVG: 3140200 32.9069 38.7937 -3.21135 38.7936 26.1943 17.7318 -3.21137 17.7318 -24.5678 GPRESSAVG: 3140200 33.284 35.6337 -2.97943 41.5329 25.2083 17.0111 -0.902364 16.5789 -24.4742 TIMING: 3140200 CPU: 9100.66, 0.00288816/step Wall: 9100.66, 0.00288816/step, 1.49206 hours remaining, 210.128906 MB of memory in use. ENERGY: 3140200 781.1550 2138.2907 1986.8981 108.3551 -206226.4207 17529.9039 0.0000 0.0000 34072.2194 -149609.5984 297.5612 -183681.8178 -149512.7865 298.7485 -228.3587 -194.0476 557495.8416 11.5111 11.3394 LDB: ============= START OF LOAD BALANCING ============== 9104.05 LDB: ============== END OF LOAD BALANCING =============== 9104.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9104.05 LDB: ============= START OF LOAD BALANCING ============== 9104.34 LDB: Largest compute 4800 load 0.023568 is 20.0% of average load 0.117910 LDB: Average compute 0.001729 is 1.5% of average load 0.117910 LDB: TIME 9104.35 LOAD: AVG 0.11791 MAX 0.1792 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.699 MB LDB: TIME 9104.35 LOAD: AVG 0.11791 MAX 0.1792 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.902 MB LDB: TIME 9104.35 LOAD: AVG 0.11791 MAX 0.1792 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.902 MB LDB: ============== END OF LOAD BALANCING =============== 9104.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9104.35 PRESSURE: 3140400 64.7995 -12.2151 -6.88651 -12.2151 -215.34 -82.4901 -6.88685 -82.4892 -137.246 GPRESSURE: 3140400 104.462 -37.8539 94.7639 111.037 -151.434 -68.0385 -61.3559 -102.374 -146.024 PRESSAVG: 3140400 -46.6209 38.523 22.0306 38.5231 37.7472 1.61334 22.0305 1.61335 18.8267 GPRESSAVG: 3140400 -47.5432 40.1856 21.8984 37.2207 39.8538 1.38599 19.3551 1.62751 17.5593 TIMING: 3140400 CPU: 9101.26, 0.00296559/step Wall: 9101.26, 0.00296559/step, 1.53189 hours remaining, 210.375000 MB of memory in use. ENERGY: 3140400 742.8631 2124.3927 1945.3542 117.9096 -206523.5753 17828.0067 0.0000 0.0000 34085.2927 -149679.7564 297.6753 -183765.0492 -149578.6296 297.8904 -95.9288 -64.3320 557531.9517 3.3177 3.2900 PRESSURE: 3140600 453.343 26.9303 -37.129 26.9308 -130.23 -84.766 -37.1282 -84.7661 18.0637 GPRESSURE: 3140600 507.282 47.4247 5.97622 -39.8921 -51.9862 -157.477 -107.527 -130.678 -4.82698 PRESSAVG: 3140600 32.4667 23.3748 33.802 23.3747 9.39011 -38.13 33.802 -38.1301 -17.9321 GPRESSAVG: 3140600 32.9728 21.9101 34.8583 24.0797 7.18934 -38.8753 32.8228 -37.7514 -16.0396 TIMING: 3140600 CPU: 9101.84, 0.00291085/step Wall: 9101.84, 0.00291085/step, 1.50345 hours remaining, 210.375000 MB of memory in use. ENERGY: 3140600 710.2113 2093.0577 1946.5685 117.7905 -206759.3569 18130.7708 0.0000 0.0000 34233.9151 -149527.0428 298.9733 -183760.9579 -149432.9345 298.3371 113.7255 150.1562 558675.6025 7.9749 8.0408 PRESSURE: 3140800 -64.7463 68.8516 97.3681 68.8504 -8.05632 -193.918 97.3693 -193.919 -71.0097 GPRESSURE: 3140800 -5.00849 37.4173 88.4125 25.7364 22.8789 -188.91 110.603 -202.811 -64.7426 PRESSAVG: 3140800 42.2711 61.3697 24.1711 61.3699 -8.28602 -8.38714 24.1711 -8.38707 -4.19033 GPRESSAVG: 3140800 43.2275 63.4251 23.6143 60.0053 -8.29842 -6.44704 25.8789 -8.08316 -4.95524 TIMING: 3140800 CPU: 9102.42, 0.00288586/step Wall: 9102.42, 0.00288586/step, 1.49039 hours remaining, 210.375000 MB of memory in use. ENERGY: 3140800 746.1905 2118.8218 1947.5399 126.7005 -206585.1310 17939.8894 0.0000 0.0000 34101.7965 -149604.1923 297.8195 -183705.9888 -149510.1299 298.2045 -47.9375 -15.6241 558133.6288 9.9316 9.9913 PRESSURE: 3141000 -229.923 108.824 125.525 108.823 -174.027 94.184 125.524 94.1845 -202.416 GPRESSURE: 3141000 -170.099 133.4 179.12 118.143 -143.747 53.564 124.885 130.32 -197.237 PRESSAVG: 3141000 53.4005 18.8699 19.9437 18.8699 -32.0957 10.7317 19.9438 10.7318 -40.1612 GPRESSAVG: 3141000 51.9968 17.6076 19.053 19.8018 -31.1294 8.74908 21.0858 11.9562 -39.8505 TIMING: 3141000 CPU: 9103, 0.00290823/step Wall: 9103, 0.00290823/step, 1.50178 hours remaining, 210.375000 MB of memory in use. ENERGY: 3141000 754.1010 2081.8148 1968.0692 103.8237 -206244.9836 17633.2807 0.0000 0.0000 34176.0034 -149527.8908 298.4675 -183703.8942 -149435.6979 298.5165 -202.1220 -170.3607 557447.2109 -6.2855 -6.3277 PRESSURE: 3141200 -78.2096 38.4685 115.072 38.469 -198.908 -95.1785 115.073 -95.1769 -168.749 GPRESSURE: 3141200 -65.8073 58.2962 133.614 5.38334 -200.232 -104.899 96.3427 -56.7538 -85.3363 PRESSAVG: 3141200 41.0639 -23.6743 19.5102 -23.6743 22.7128 14.3017 19.5102 14.3018 -48.6834 GPRESSAVG: 3141200 40.921 -24.6163 19.7323 -21.3343 22.1319 16.6081 18.5216 14.1908 -48.1369 TIMING: 3141200 CPU: 9103.58, 0.00289203/step Wall: 9103.58, 0.00289203/step, 1.49325 hours remaining, 210.375000 MB of memory in use. ENERGY: 3141200 788.8861 2099.2024 1902.9641 107.1225 -206396.9077 17694.2058 0.0000 0.0000 34296.3431 -149508.1836 299.5185 -183804.5267 -149412.4523 298.3757 -148.6221 -117.1254 556716.5986 5.0311 4.9720 PRESSURE: 3141400 167.994 7.88923 -42.7618 7.88865 63.1404 42.4577 -42.7618 42.4584 155.461 GPRESSURE: 3141400 203.625 -14.6155 -97.1297 -17.6341 90.2152 -5.45569 5.19437 69.7165 193.856 PRESSAVG: 3141400 -47.8222 7.41048 -52.8364 7.41043 28.2972 -1.27486 -52.8365 -1.27481 -6.52716 GPRESSAVG: 3141400 -47.5005 8.05161 -52.9144 6.51437 29.5616 -2.09791 -54.0438 -1.39636 -8.91785 TIMING: 3141400 CPU: 9104.16, 0.00289627/step Wall: 9104.16, 0.00289627/step, 1.49528 hours remaining, 210.375000 MB of memory in use. ENERGY: 3141400 750.3630 2053.5072 1926.3115 106.2275 -206973.0260 18188.5817 0.0000 0.0000 34317.3554 -149630.6796 299.7020 -183948.0349 -149536.7881 298.2018 128.8653 162.5654 556622.6743 -8.6840 -8.9522 PRESSURE: 3141600 -229.153 65.5355 -12.6388 65.5343 -136.347 -75.8212 -12.6387 -75.8201 74.7545 GPRESSURE: 3141600 -206.427 105.856 3.66661 26.4516 -130.331 -43.2485 -7.38876 -61.4305 154.209 PRESSAVG: 3141600 -8.01493 1.37308 -18.0458 1.373 18.9059 22.3677 -18.0457 22.3677 12.691 GPRESSAVG: 3141600 -7.39532 3.85507 -19.3964 0.669248 17.9517 23.3067 -14.4744 21.6517 13.0082 TIMING: 3141600 CPU: 9104.74, 0.00290099/step Wall: 9104.74, 0.00290099/step, 1.49755 hours remaining, 210.375000 MB of memory in use. ENERGY: 3141600 747.3478 2111.6081 1972.0764 119.0749 -206468.8798 17804.7920 0.0000 0.0000 34119.4716 -149594.5091 297.9738 -183713.9808 -149505.5850 298.4028 -96.9151 -60.8497 557897.2712 7.8607 7.8548 PRESSURE: 3141800 8.53575 72.8936 57.4862 72.8938 -174.982 71.4332 57.4869 71.432 130.55 GPRESSURE: 3141800 34.2177 109.619 57.9101 16.316 -136.293 126.248 54.0067 -45.6484 162.366 PRESSAVG: 3141800 11.267 -4.54611 20.7676 -4.54594 -12.0294 -37.9499 20.7676 -37.9498 22.5145 GPRESSAVG: 3141800 10.5043 -7.78509 20.5776 -4.10763 -11.9822 -38.4966 18.4282 -37.6673 22.9139 TIMING: 3141800 CPU: 9105.31, 0.00289551/step Wall: 9105.31, 0.00289551/step, 1.49457 hours remaining, 210.375000 MB of memory in use. ENERGY: 3141800 731.2021 2059.6753 1958.9639 104.1991 -206397.7352 17923.4727 0.0000 0.0000 34276.7891 -149343.4331 299.3477 -183620.2222 -149242.2925 297.8326 -11.9652 20.0968 559254.9567 7.2507 7.1453 PRESSURE: 3142000 -394.271 -114.575 77.9951 -114.576 14.0654 19.7161 77.9945 19.7168 -12.5813 GPRESSURE: 3142000 -382.667 -88.1412 73.1832 -142.607 12.1066 36.8828 124.144 -21.3929 74.564 PRESSAVG: 3142000 -57.7687 7.72606 -34.4372 7.72604 37.8144 -7.07438 -34.4372 -7.07439 -6.07797 GPRESSAVG: 3142000 -57.3119 10.0628 -33.7518 6.02107 37.8191 -6.06874 -34.6515 -6.49486 -5.71959 TIMING: 3142000 CPU: 9105.89, 0.00288478/step Wall: 9105.89, 0.00288478/step, 1.48887 hours remaining, 210.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3142000 730.1300 2113.4134 1963.4714 106.6543 -206023.2861 17610.7850 0.0000 0.0000 34116.8161 -149382.0158 297.9506 -183498.8319 -149281.8339 298.6194 -130.9289 -98.6656 559033.9510 -8.6774 -8.4041 PRESSURE: 3142200 -183.064 -43.9795 -51.1979 -43.978 -21.6155 -42.0553 -51.1975 -42.0541 -122.674 GPRESSURE: 3142200 -162.367 -18.3542 -62.9801 -38.0393 -20.6895 -113.524 -41.3313 -77.7572 -47.4927 PRESSAVG: 3142200 -30.2097 2.43512 47.177 2.43525 44.1576 -40.7913 47.177 -40.7912 -6.88345 GPRESSAVG: 3142200 -29.6493 3.4976 47.3341 1.6571 43.5267 -41.5271 48.2532 -41.9887 -6.74616 TIMING: 3142200 CPU: 9106.47, 0.00289915/step Wall: 9106.47, 0.00289915/step, 1.49612 hours remaining, 210.375000 MB of memory in use. ENERGY: 3142200 713.9117 2127.8509 1946.6376 115.4251 -206295.4191 17652.0837 0.0000 0.0000 34306.4614 -149433.0489 299.6069 -183739.5103 -149333.7765 298.5623 -109.1181 -76.8496 558441.3247 2.3548 2.3771 PRESSURE: 3142400 -74.2803 12.809 -187.171 12.8095 -120.39 113.959 -187.169 113.959 28.7618 GPRESSURE: 3142400 -59.78 -12.6154 -210.567 -18.4074 -75.2229 41.906 -171.278 71.4027 64.5209 PRESSAVG: 3142400 46.946 27.1093 -38.9077 27.1093 47.518 -30.6378 -38.9076 -30.6377 -43.7152 GPRESSAVG: 3142400 46.4353 24.3025 -37.5539 28.9832 48.859 -33.4706 -39.0875 -30.4485 -43.7077 TIMING: 3142400 CPU: 9107.05, 0.00289932/step Wall: 9107.05, 0.00289932/step, 1.49605 hours remaining, 210.375000 MB of memory in use. ENERGY: 3142400 702.0787 2127.4497 1968.8514 106.8682 -206091.6141 17774.6241 0.0000 0.0000 34063.3530 -149348.3890 297.4837 -183411.7420 -149245.6865 298.7774 -55.3028 -23.4940 558732.5011 16.9162 17.1955 PRESSURE: 3142600 -6.76751 -68.9415 -183.133 -68.9407 34.4608 -34.4203 -183.132 -34.4186 -72.0843 GPRESSURE: 3142600 -11.7568 35.6871 -85.5668 -190.441 74.9835 -26.4364 -183.064 -74.6766 -1.10544 PRESSAVG: 3142600 35.4997 -4.80516 5.76049 -4.80522 25.3649 -26.2042 5.76043 -26.2042 -7.12911 GPRESSAVG: 3142600 36.1047 -4.17987 4.32383 -6.1552 23.8643 -24.8474 6.53333 -25.4171 -6.05769 TIMING: 3142600 CPU: 9107.63, 0.00288418/step Wall: 9107.63, 0.00288418/step, 1.48808 hours remaining, 210.375000 MB of memory in use. ENERGY: 3142600 784.9638 2123.1256 1960.8140 114.0922 -206268.1764 17819.4008 0.0000 0.0000 34128.5859 -149337.1941 298.0534 -183465.7800 -149252.1741 298.5188 -14.7970 20.7071 558084.7552 17.9119 17.9704 PRESSURE: 3142800 -191.45 9.67015 -53.8424 9.67019 298.805 127.241 -53.8429 127.239 -203.595 GPRESSURE: 3142800 -217.506 26.2711 36.5791 36.6597 284.539 122.891 -120.646 103.146 -54.5959 PRESSAVG: 3142800 -17.8993 5.39808 -12.0423 5.39805 23.6224 -27.727 -12.0422 -27.7271 -1.67177 GPRESSAVG: 3142800 -17.8075 3.58557 -12.7708 7.01791 23.5714 -26.5815 -11.2839 -29.4755 -1.49909 TIMING: 3142800 CPU: 9108.21, 0.00290185/step Wall: 9108.21, 0.00290185/step, 1.49703 hours remaining, 210.375000 MB of memory in use. ENERGY: 3142800 732.1592 2098.1809 1951.7525 111.6910 -206377.0898 17935.5020 0.0000 0.0000 34347.6573 -149200.1469 299.9666 -183547.8042 -149105.9573 299.7840 -32.0803 4.1457 558240.9517 1.3504 1.4216 PRESSURE: 3143000 -107.069 103.142 14.968 103.141 50.4548 -38.433 14.9678 -38.4323 -3.0113 GPRESSURE: 3143000 -51.596 86.9065 -5.95066 163.994 125.014 -83.5773 61.8917 23.4242 -30.0305 PRESSAVG: 3143000 -43.3231 36.0462 3.18457 36.0461 57.753 -7.00581 3.18456 -7.00583 -25.2605 GPRESSAVG: 3143000 -43.4549 37.0637 3.77742 37.0423 59.0607 -8.0031 1.22425 -4.23999 -26.0495 TIMING: 3143000 CPU: 9108.79, 0.00289962/step Wall: 9108.79, 0.00289962/step, 1.49572 hours remaining, 210.375000 MB of memory in use. ENERGY: 3143000 702.5526 2089.6909 1961.6630 112.9849 -205957.5498 17680.5521 0.0000 0.0000 34124.5846 -149285.5217 298.0185 -183410.1063 -149182.5703 299.0906 -19.8751 14.4625 558522.8819 -3.6102 -3.4812 PRESSURE: 3143200 145.427 -121.216 18.1843 -121.215 -9.02767 -81.8959 18.1846 -81.8961 -151.795 GPRESSURE: 3143200 92.8761 -124.137 -78.4475 -144.495 48.5771 -92.7038 120.009 -29.2639 -59.3738 PRESSAVG: 3143200 77.4578 -24.2393 -6.48827 -24.2393 18.9726 -1.18283 -6.48821 -1.1828 -44.3348 GPRESSAVG: 3143200 76.7719 -23.5073 -6.90182 -25.8621 19.4794 0.596007 -4.44794 -4.22738 -43.9374 TIMING: 3143200 CPU: 9109.37, 0.00289047/step Wall: 9109.37, 0.00289047/step, 1.49084 hours remaining, 210.375000 MB of memory in use. ENERGY: 3143200 731.0954 2124.4312 1930.4846 108.0073 -206314.9948 17781.4675 0.0000 0.0000 34319.3679 -149320.1409 299.7196 -183639.5088 -149224.7894 298.6508 -5.1320 27.3598 557919.8384 17.3652 17.4379 PRESSURE: 3143400 8.8585 3.65476 58.6578 3.65557 -283.355 113.298 58.6582 113.298 -178.33 GPRESSURE: 3143400 43.2745 -10.0468 27.5923 -35.901 -253.481 106.12 59.2419 116.149 -148.172 PRESSAVG: 3143400 51.2193 17.3197 6.81471 17.3198 -60.1434 6.95151 6.8147 6.95151 24.2973 GPRESSAVG: 3143400 51.9438 16.5919 5.87238 18.0009 -59.4729 2.75188 6.78335 9.02686 22.7604 TIMING: 3143400 CPU: 9109.95, 0.00289782/step Wall: 9109.95, 0.00289782/step, 1.49447 hours remaining, 210.375000 MB of memory in use. ENERGY: 3143400 744.5059 2113.7860 1932.0031 107.2294 -206078.2940 17553.7299 0.0000 0.0000 34180.5847 -149446.4550 298.5075 -183627.0397 -149353.6162 297.9727 -150.9419 -119.4596 557291.5299 5.1244 5.0771 PRESSURE: 3143600 -57.2225 -1.47194 -164.197 -1.47197 187.353 -213.076 -164.198 -213.076 28.4426 GPRESSURE: 3143600 -26.1671 -53.2468 -114.996 45.19 210.483 -192.313 -203.376 -178.116 66.7059 PRESSAVG: 3143600 -61.8147 -16.6576 48.1048 -16.6576 11.8198 18.7643 48.1048 18.7644 28.2896 GPRESSAVG: 3143600 -61.9468 -15.6238 50.1229 -17.9281 10.7571 24.9026 47.4886 16.5812 29.6519 TIMING: 3143600 CPU: 9110.53, 0.00290526/step Wall: 9110.53, 0.00290526/step, 1.49815 hours remaining, 210.375000 MB of memory in use. ENERGY: 3143600 733.7037 2102.7649 1933.1627 96.3291 -206284.7116 17783.5427 0.0000 0.0000 34242.5393 -149392.6691 299.0486 -183635.2085 -149296.7895 298.9746 52.8578 83.6740 556767.8092 -7.2351 -7.1793 PRESSURE: 3143800 -240.916 -40.8517 142.722 -40.8512 -199.08 -65.2689 142.723 -65.2693 -95.0205 GPRESSURE: 3143800 -171.442 -57.2873 169.009 -57.9341 -203.437 -113.08 137.378 -55.2987 -65.5347 PRESSAVG: 3143800 -1.91987 -98.3224 1.12417 -98.3224 -20.091 -0.948306 1.1241 -0.948176 15.8211 GPRESSAVG: 3143800 -0.959481 -100.674 1.40336 -97.3826 -20.2807 -5.74512 0.624085 -0.0748301 15.5971 TIMING: 3143800 CPU: 9111.11, 0.00290384/step Wall: 9111.11, 0.00290384/step, 1.49725 hours remaining, 210.375000 MB of memory in use. ENERGY: 3143800 755.2378 2162.2415 1926.5250 100.7243 -206051.9674 17518.3088 0.0000 0.0000 34069.3055 -149519.6245 297.5357 -183588.9300 -149421.1744 298.2039 -178.3387 -146.8045 556750.7106 -2.0633 -1.8810 PRESSURE: 3144000 189.858 -17.5296 -28.0528 -17.5293 76.1054 32.5675 -28.053 32.568 23.3884 GPRESSURE: 3144000 174.186 -76.457 42.4036 -23.8938 180.72 34.7659 -85.1084 51.6081 30.5608 PRESSAVG: 3144000 -111.042 -28.615 -7.64662 -28.615 53.0876 -30.8639 -7.64661 -30.864 29.1545 GPRESSAVG: 3144000 -110.335 -26.6752 -10.0633 -28.8499 52.0166 -29.42 -5.62715 -32.8807 28.9742 TIMING: 3144000 CPU: 9111.69, 0.00292312/step Wall: 9111.69, 0.00292312/step, 1.50703 hours remaining, 210.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3144000 747.6861 2122.2513 1965.2160 130.3537 -206225.5562 17783.3192 0.0000 0.0000 34095.3347 -149381.3952 297.7630 -183476.7299 -149290.4785 298.3206 96.4507 128.4892 556859.9485 -9.5998 -9.7815 PRESSURE: 3144200 -193.271 -21.5137 -31.278 -21.5155 -65.7307 -145.597 -31.2787 -145.597 24.3525 GPRESSURE: 3144200 -159.162 -40.9472 -110.515 -48.9296 0.879446 -121.19 -67.0482 -127.76 10.111 PRESSAVG: 3144200 -15.4317 -18.3066 3.40413 -18.3065 25.3826 -15.1463 3.40408 -15.1463 24.1806 GPRESSAVG: 3144200 -16.7232 -19.9854 4.4496 -17.378 27.1467 -16.4664 2.62586 -13.1626 24.1396 TIMING: 3144200 CPU: 9112.28, 0.00292462/step Wall: 9112.28, 0.00292462/step, 1.50764 hours remaining, 210.375000 MB of memory in use. ENERGY: 3144200 731.6675 2092.5831 1940.9556 113.3382 -206254.4833 17690.5250 0.0000 0.0000 34316.3387 -149369.0753 299.6931 -183685.4140 -149271.5053 299.1702 -78.2166 -49.3904 557228.1562 11.3772 11.5211 LDB: ============= START OF LOAD BALANCING ============== 9115.67 LDB: ============== END OF LOAD BALANCING =============== 9115.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9115.67 LDB: ============= START OF LOAD BALANCING ============== 9115.96 LDB: Largest compute 4801 load 0.023209 is 19.7% of average load 0.118056 LDB: Average compute 0.001736 is 1.5% of average load 0.118056 LDB: TIME 9115.96 LOAD: AVG 0.118056 MAX 0.177855 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.691 MB LDB: TIME 9115.96 LOAD: AVG 0.118056 MAX 0.177855 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.691 MB LDB: TIME 9115.96 LOAD: AVG 0.118056 MAX 0.177855 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.691 MB LDB: ============== END OF LOAD BALANCING =============== 9115.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9115.97 PRESSURE: 3144400 24.3242 -65.8533 -20.4323 -65.8537 193.952 63.6889 -20.4314 63.6894 21.5729 GPRESSURE: 3144400 99.4098 -17.1099 40.7389 -103.493 156.516 112.562 -32.1135 70.3392 69.7966 PRESSAVG: 3144400 -27.5162 31.6346 32.1799 31.6345 -3.31762 -13.8197 32.1799 -13.8198 -17.0108 GPRESSAVG: 3144400 -28.4116 31.7817 33.2876 31.6719 -3.49666 -12.5238 31.3123 -15.9614 -16.0161 TIMING: 3144400 CPU: 9112.87, 0.00296715/step Wall: 9112.87, 0.00296715/step, 1.5294 hours remaining, 209.417969 MB of memory in use. ENERGY: 3144400 751.5368 2131.7898 1969.7865 116.6015 -206564.1990 18017.9874 0.0000 0.0000 34319.8655 -149256.6315 299.7239 -183576.4969 -149161.3090 299.2939 79.9497 108.5740 557407.8562 -15.9482 -15.9748 PRESSURE: 3144600 -69.284 17.1439 -19.7765 17.1433 -91.4215 -75.0281 -19.7757 -75.027 -93.0332 GPRESSURE: 3144600 -74.9015 126.991 18.7471 17.243 -47.5323 -33.8622 -57.258 14.8905 -29.4008 PRESSAVG: 3144600 -32.7227 -19.6225 82.4177 -19.6226 2.99633 0.741125 82.4177 0.741191 -10.5214 GPRESSAVG: 3144600 -31.8921 -18.0759 83.1816 -20.8214 3.38868 0.0331576 81.0142 2.82101 -11.7635 TIMING: 3144600 CPU: 9113.45, 0.00288668/step Wall: 9113.45, 0.00288668/step, 1.48776 hours remaining, 209.417969 MB of memory in use. ENERGY: 3144600 747.8330 2118.4896 1946.3112 105.4195 -205732.5952 17493.0527 0.0000 0.0000 34115.8471 -149205.6421 297.9422 -183321.4892 -149110.4402 298.8319 -84.5796 -50.6115 557815.5010 -13.4159 -13.4223 PRESSURE: 3144800 266.79 15.0282 8.96495 15.0276 130.365 148.567 8.96472 148.568 37.2342 GPRESSURE: 3144800 300.934 75.9799 -63.4933 -14.8004 146.857 130.825 46.9645 170.509 88.6579 PRESSAVG: 3144800 -52.334 -75.4398 -6.95144 -75.4399 76.9114 23.2059 -6.95149 23.2059 21.7138 GPRESSAVG: 3144800 -51.7695 -74.5076 -10.0357 -78.0529 76.0718 23.6483 -4.54294 23.5723 22.2101 TIMING: 3144800 CPU: 9114.02, 0.00287106/step Wall: 9114.02, 0.00287106/step, 1.47955 hours remaining, 209.417969 MB of memory in use. ENERGY: 3144800 765.5776 2116.2103 1957.9458 107.0187 -206400.0044 17959.0693 0.0000 0.0000 34240.6639 -149253.5189 299.0322 -183494.1827 -149150.9616 299.3070 144.7963 178.8164 557111.9945 15.4304 15.5041 PRESSURE: 3145000 53.293 -91.5352 -7.83429 -91.536 211.056 -66.2434 -7.8347 -66.2432 -185.178 GPRESSURE: 3145000 124.419 -110.399 -1.28861 9.74173 211.779 -51.4012 5.73967 -107.01 -164.626 PRESSAVG: 3145000 -28.6979 60.1749 14.534 60.1748 16.7061 -9.51502 14.534 -9.51514 3.22957 GPRESSAVG: 3145000 -29.1046 58.8638 15.7426 62.7906 16.4817 -9.20276 12.7696 -11.1961 4.05224 TIMING: 3145000 CPU: 9114.6, 0.00290963/step Wall: 9114.6, 0.00290963/step, 1.49927 hours remaining, 209.417969 MB of memory in use. ENERGY: 3145000 714.7077 2089.8206 1917.2385 107.1429 -206143.9134 17835.6219 0.0000 0.0000 34170.6972 -149308.6847 298.4212 -183479.3819 -149208.7975 299.5999 26.3905 57.1908 557020.8297 -2.9207 -2.8569 PRESSURE: 3145200 77.7479 39.7503 -210.761 39.7501 -146.337 132.658 -210.76 132.656 150.913 GPRESSURE: 3145200 117.89 57.3196 -221.951 44.5715 -100.905 84.321 -232.591 183.086 158.419 PRESSAVG: 3145200 -43.6377 -8.58212 -12.7578 -8.58216 20.4664 7.46746 -12.7578 7.46748 -15.9451 GPRESSAVG: 3145200 -43.0774 -7.67759 -11.997 -9.60539 21.363 6.37672 -12.4475 9.03865 -17.1444 TIMING: 3145200 CPU: 9115.18, 0.00287891/step Wall: 9115.18, 0.00287891/step, 1.48328 hours remaining, 209.417969 MB of memory in use. ENERGY: 3145200 722.2835 2074.2090 1937.3242 116.3903 -206433.1063 17881.5843 0.0000 0.0000 34376.9337 -149324.3812 300.2223 -183701.3149 -149224.1966 299.0855 27.4411 58.4680 555706.2804 -13.0388 -12.9529 PRESSURE: 3145400 63.0235 83.6784 -70.8749 83.6785 -64.2286 -32.7135 -70.8743 -32.7137 18.1617 GPRESSURE: 3145400 126.803 179.458 42.1347 -3.6991 -55.04 26.1746 -141.695 -12.3622 50.5228 PRESSAVG: 3145400 -33.2078 12.9721 -50.6461 12.9723 -16.9459 -45.4415 -50.6461 -45.4415 65.1522 GPRESSAVG: 3145400 -33.5543 13.5401 -52.7783 14.0317 -18.1794 -45.5264 -51.6496 -45.4936 66.2379 TIMING: 3145400 CPU: 9115.75, 0.00286168/step Wall: 9115.75, 0.00286168/step, 1.47424 hours remaining, 209.417969 MB of memory in use. ENERGY: 3145400 688.8547 2079.9134 1923.4790 105.6872 -205980.2686 17640.8812 0.0000 0.0000 34137.1563 -149404.2968 298.1283 -183541.4531 -149307.1398 298.7509 5.6522 40.7620 555987.8895 4.9995 4.8347 PRESSURE: 3145600 -49.702 -39.3044 85.8033 -39.3039 -417.881 -144.854 85.8032 -144.853 35.3007 GPRESSURE: 3145600 4.59504 -11.9903 113.703 -98.0566 -352.891 -90.9862 52.8623 -87.532 22.7158 PRESSAVG: 3145600 -27.7439 -1.24065 15.8841 -1.24065 22.5759 -42.6201 15.8841 -42.6202 56.8543 GPRESSAVG: 3145600 -27.7015 -2.14914 17.5826 -3.32842 23.5975 -42.446 15.3933 -45.2163 56.3198 TIMING: 3145600 CPU: 9116.33, 0.00289632/step Wall: 9116.33, 0.00289632/step, 1.49193 hours remaining, 209.417969 MB of memory in use. ENERGY: 3145600 735.7187 2076.9311 1950.9699 103.4963 -206345.1979 17602.6201 0.0000 0.0000 34274.2880 -149601.1738 299.3259 -183875.4619 -149490.3342 298.5803 -144.0942 -108.5266 556218.8770 17.2287 17.4052 PRESSURE: 3145800 -177.785 -36.9742 235.319 -36.9746 2.12578 -7.09458 235.319 -7.09623 -274.423 GPRESSURE: 3145800 -190.225 -25.7036 282.343 -78.4725 46.8792 -63.0687 192.835 8.55404 -229.582 PRESSAVG: 3145800 -12.3897 -0.376544 51.2338 -0.376526 -15.3266 4.68342 51.2338 4.68326 66.7708 GPRESSAVG: 3145800 -12.5026 -1.1649 50.0647 -0.57679 -15.3698 6.0196 49.6265 5.43235 66.7193 TIMING: 3145800 CPU: 9116.91, 0.00287919/step Wall: 9116.91, 0.00287919/step, 1.48294 hours remaining, 209.417969 MB of memory in use. ENERGY: 3145800 746.9217 2055.3013 1964.2410 107.8340 -206206.6847 17470.1885 0.0000 0.0000 34317.0508 -149545.1474 299.6993 -183862.1982 -149443.6022 298.3045 -150.0276 -124.3091 558281.4935 13.0181 12.9490 PRESSURE: 3146000 -243.498 33.4955 303.997 33.4943 -55.4722 62.8885 303.998 62.8882 80.6532 GPRESSURE: 3146000 -192.822 43.3311 341.057 76.3557 -53.2222 16.6024 275.294 131.003 125.135 PRESSAVG: 3146000 -106.6 -47.2612 53.2463 -47.2611 66.2536 -72.1931 53.2463 -72.193 39.1553 GPRESSAVG: 3146000 -106.845 -45.1385 52.6745 -47.5779 65.5282 -74.0695 55.0855 -72.6657 39.7504 TIMING: 3146000 CPU: 9117.48, 0.00287432/step Wall: 9117.48, 0.00287432/step, 1.48028 hours remaining, 209.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3146000 761.9747 2097.9273 1946.3556 120.0253 -206219.3896 17624.3034 0.0000 0.0000 34213.6253 -149455.1781 298.7961 -183668.8035 -149356.4415 298.6240 -72.7723 -40.3031 557911.5086 -0.3972 -0.5221 PRESSURE: 3146200 152.351 -21.2969 -153.21 -21.2965 40.1964 -161.367 -153.21 -161.368 107.826 GPRESSURE: 3146200 134.611 -53.0606 -151.126 -3.13004 120.733 -134.98 -82.4368 -87.8478 152.605 PRESSAVG: 3146200 -4.27846 -4.4927 31.6892 -4.4927 -0.00507093 -12.9932 31.6892 -12.9932 -17.5452 GPRESSAVG: 3146200 -4.6995 -4.69074 33.9092 -3.87951 0.473807 -12.3816 31.857 -9.03844 -18.0844 TIMING: 3146200 CPU: 9118.06, 0.00289033/step Wall: 9118.06, 0.00289033/step, 1.48836 hours remaining, 209.417969 MB of memory in use. ENERGY: 3146200 761.7993 2098.8706 1949.2267 105.4919 -206674.5744 18055.4205 0.0000 0.0000 34291.9540 -149411.8115 299.4802 -183703.7654 -149309.0929 298.9945 100.1244 135.9829 556590.3596 -7.2763 -7.4367 PRESSURE: 3146400 361.441 -175.243 -9.02191 -175.243 -30.306 -83.2295 -9.02313 -83.2271 101.832 GPRESSURE: 3146400 352.185 -73.3263 -6.3264 -165.64 30.0513 -156.699 -53.9568 -71.4807 154.491 PRESSAVG: 3146400 14.9868 -5.93927 -33.1544 -5.93921 -29.2364 -9.06925 -33.1545 -9.0692 35.8279 GPRESSAVG: 3146400 14.5171 -5.59296 -34.7662 -3.89887 -29.379 -9.15937 -33.1701 -9.88015 36.1996 TIMING: 3146400 CPU: 9118.64, 0.00289288/step Wall: 9118.64, 0.00289288/step, 1.48951 hours remaining, 209.417969 MB of memory in use. ENERGY: 3146400 722.2283 2103.4685 1950.2927 120.6302 -206642.1074 17959.6728 0.0000 0.0000 34337.5853 -149448.2295 299.8787 -183785.8148 -149352.0357 299.1477 144.3225 178.9089 556458.5343 7.1928 7.1126 PRESSURE: 3146600 59.0484 79.7748 -0.827989 79.7743 136.556 -63.4315 -0.828838 -63.4313 -256.795 GPRESSURE: 3146600 106.013 104.061 -81.5578 118.722 126.556 -26.8985 22.5732 -104.547 -201.824 PRESSAVG: 3146600 -6.32761 -23.812 -69.9321 -23.812 6.4154 -0.450057 -69.9321 -0.450023 -27.1475 GPRESSAVG: 3146600 -5.76799 -24.3026 -71.8063 -25.2572 6.07241 -0.0159596 -69.121 0.212499 -26.8779 TIMING: 3146600 CPU: 9119.22, 0.00289245/step Wall: 9119.22, 0.00289245/step, 1.48913 hours remaining, 209.417969 MB of memory in use. ENERGY: 3146600 767.1529 2101.1781 1962.7360 115.2907 -206320.3543 17783.6061 0.0000 0.0000 34085.5931 -149504.7974 297.6780 -183590.3906 -149415.9818 298.9906 -20.3968 10.2484 558558.6798 -9.0199 -8.8578 PRESSURE: 3146800 -22.7207 148.744 -1.38404 148.744 -143.513 73.6501 -1.38271 73.6505 109.937 GPRESSURE: 3146800 -26.1053 160.711 75.7191 44.1702 -87.4421 192.815 -42.3755 29.1608 170.371 PRESSAVG: 3146800 -2.96025 7.64043 -22.2125 7.64044 -14.781 37.0184 -22.2125 37.0185 -6.97642 GPRESSAVG: 3146800 -1.35757 6.60125 -20.6431 9.02243 -14.5209 35.2256 -21.7264 36.3519 -8.50281 TIMING: 3146800 CPU: 9119.8, 0.00289467/step Wall: 9119.8, 0.00289467/step, 1.49011 hours remaining, 209.417969 MB of memory in use. ENERGY: 3146800 693.3175 2145.0124 1966.5555 109.4666 -206377.7597 17852.4428 0.0000 0.0000 34012.8045 -149598.1605 297.0423 -183610.9650 -149502.1938 298.9269 -18.7655 18.9412 556951.6212 -8.2392 -8.1271 PRESSURE: 3147000 -98.3554 -92.0479 23.6767 -92.0477 -63.8279 88.73 23.6765 88.7308 -88.2424 GPRESSURE: 3147000 -75.0761 -160.907 32.3941 -23.047 -93.226 80.7097 -73.5918 146.224 8.26096 PRESSAVG: 3147000 15.1367 32.2809 20.8786 32.281 -21.3589 26.3969 20.8784 26.3969 6.80334 GPRESSAVG: 3147000 15.2444 32.6068 21.2755 31.9131 -21.5424 26.5936 21.1481 25.7607 6.43958 TIMING: 3147000 CPU: 9120.38, 0.00289991/step Wall: 9120.38, 0.00289991/step, 1.49265 hours remaining, 209.417969 MB of memory in use. ENERGY: 3147000 761.1710 2151.7751 1981.1034 114.1077 -206297.2294 17662.1475 0.0000 0.0000 34092.0245 -149534.9002 297.7341 -183626.9247 -149433.5135 298.4339 -83.4752 -53.3470 557268.2041 0.1937 0.0472 PRESSURE: 3147200 20.3719 27.7085 -128.101 27.7078 -149.511 148.205 -128.101 148.203 -153.231 GPRESSURE: 3147200 112.919 -2.84758 -93.985 -85.8133 -175.844 193.109 -163.517 35.2107 -116.221 PRESSAVG: 3147200 60.3696 -1.88664 -20.8264 -1.88674 -30.2233 57.9041 -20.8265 57.9042 -25.6032 GPRESSAVG: 3147200 59.7267 0.688281 -21.03 -2.9953 -29.901 58.7511 -21.0736 57.9504 -24.7751 TIMING: 3147200 CPU: 9120.95, 0.00287555/step Wall: 9120.95, 0.00287555/step, 1.47995 hours remaining, 209.417969 MB of memory in use. ENERGY: 3147200 754.7111 2137.8163 1953.5782 123.6415 -206234.1159 17588.5222 0.0000 0.0000 34182.2028 -149493.6438 298.5217 -183675.8466 -149403.7509 298.4478 -94.1233 -59.7156 556123.9065 1.5144 1.6835 PRESSURE: 3147400 124.969 -99.3733 -28.9708 -99.373 -96.0815 -101.488 -28.9725 -101.488 22.6149 GPRESSURE: 3147400 106.556 -96.6513 -54.8557 -152.926 23.6082 -75.9011 14.1314 -6.12514 10.9127 PRESSAVG: 3147400 -31.2178 17.6841 -15.5583 17.6841 -11.187 -29.4089 -15.5584 -29.409 10.5172 GPRESSAVG: 3147400 -31.1149 13.5794 -13.133 19.3278 -10.7883 -29.4876 -16.9137 -28.566 9.88873 TIMING: 3147400 CPU: 9121.53, 0.002901/step Wall: 9121.53, 0.002901/step, 1.49289 hours remaining, 209.417969 MB of memory in use. ENERGY: 3147400 746.1873 2062.6142 1959.3000 104.2305 -206281.5258 17844.0516 0.0000 0.0000 34170.9384 -149394.2038 298.4233 -183565.1422 -149293.0061 298.7773 17.1673 47.0257 556783.6034 -10.6292 -10.6715 PRESSURE: 3147600 -191.54 157.222 -81.0928 157.222 171.638 34.5086 -81.0935 34.5087 22.4747 GPRESSURE: 3147600 -149.73 145.443 -74.8896 -30.9804 217.172 168.288 -75.5318 -56.8884 30.9822 PRESSAVG: 3147600 -25.6968 14.9674 38.2924 14.9675 34.2627 -18.1749 38.2924 -18.1748 -43.4463 GPRESSAVG: 3147600 -26.7779 17.5831 35.671 14.7124 34.9391 -17.1016 38.4522 -18.6903 -43.3985 TIMING: 3147600 CPU: 9122.11, 0.00290329/step Wall: 9122.11, 0.00290329/step, 1.4939 hours remaining, 209.417969 MB of memory in use. ENERGY: 3147600 765.3312 2168.6120 1935.3813 120.2739 -206327.2304 17849.2095 0.0000 0.0000 34207.8668 -149280.5558 298.7458 -183488.4225 -149172.4931 298.8727 0.8575 32.8082 557658.8761 -11.6268 -11.7457 PRESSURE: 3147800 41.941 40.7612 81.6338 40.7603 -52.7838 -14.9374 81.6348 -14.9374 160.792 GPRESSURE: 3147800 65.0415 90.694 42.9527 -57.4261 -0.736377 -66.023 41.578 41.3045 178.092 PRESSAVG: 3147800 31.9807 1.17898 -45.9939 1.17896 5.46741 13.0992 -45.994 13.0992 3.59871 GPRESSAVG: 3147800 32.3448 0.128457 -46.5933 -0.771455 4.98924 14.9424 -43.6305 11.3258 3.64013 TIMING: 3147800 CPU: 9122.69, 0.00288495/step Wall: 9122.69, 0.00288495/step, 1.48431 hours remaining, 209.417969 MB of memory in use. ENERGY: 3147800 772.0894 2136.3029 1945.4875 111.9669 -206328.3679 17908.8596 0.0000 0.0000 34209.5767 -149244.0849 298.7607 -183453.6616 -149150.3195 299.3776 49.9829 80.7989 556258.2958 13.6823 13.6581 PRESSURE: 3148000 -269.772 -59.2098 -170.72 -59.21 40.5651 161.891 -170.721 161.892 -155.056 GPRESSURE: 3148000 -204.052 -16.4121 -41.8039 -115.415 39.3087 148.385 -118.396 206.776 -132.025 PRESSAVG: 3148000 30.3711 -54.632 -13.4189 -54.632 58.3334 58.3716 -13.4189 58.3717 -72.6177 GPRESSAVG: 3148000 30.8713 -55.6436 -10.5125 -53.6771 57.6693 55.2301 -15.3461 60.0682 -72.3945 TIMING: 3148000 CPU: 9123.27, 0.00287762/step Wall: 9123.27, 0.00287762/step, 1.48038 hours remaining, 209.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3148000 755.3701 2146.9689 1959.2908 100.5757 -205962.8130 17648.5216 0.0000 0.0000 34204.8407 -149147.2452 298.7194 -183352.0859 -149052.7723 299.3622 -128.0874 -98.9227 556487.3546 5.3623 5.3820 PRESSURE: 3148200 -95.2483 78.4827 -54.3139 78.4824 -146.547 -27.0945 -54.3141 -27.0946 -74.4904 GPRESSURE: 3148200 -63.4102 34.4976 -91.0137 70.6066 -117.092 -28.8871 -49.6626 126.144 -41.3063 PRESSAVG: 3148200 -66.793 -33.7082 32.1136 -33.7082 23.8443 -10.076 32.1136 -10.0759 16.1655 GPRESSAVG: 3148200 -67.2396 -33.6913 30.0601 -32.7165 24.2237 -10.0271 31.3383 -9.15828 16.3893 TIMING: 3148200 CPU: 9123.84, 0.0028789/step Wall: 9123.84, 0.00287889/step, 1.48087 hours remaining, 209.617188 MB of memory in use. ENERGY: 3148200 755.3615 2144.9037 1966.0097 106.9176 -206178.2572 17650.7358 0.0000 0.0000 34140.6276 -149413.7013 298.1586 -183554.3288 -149316.6651 299.3171 -105.4285 -73.9363 557414.6244 -8.9277 -8.8755 LDB: ============= START OF LOAD BALANCING ============== 9127.22 LDB: ============== END OF LOAD BALANCING =============== 9127.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9127.23 LDB: ============= START OF LOAD BALANCING ============== 9127.51 LDB: Largest compute 4800 load 0.021303 is 18.1% of average load 0.117957 LDB: Average compute 0.001738 is 1.5% of average load 0.117957 LDB: TIME 9127.52 LOAD: AVG 0.117957 MAX 0.17846 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.957 MB LDB: TIME 9127.52 LOAD: AVG 0.117957 MAX 0.17846 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.023 MB LDB: TIME 9127.52 LOAD: AVG 0.117957 MAX 0.17846 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9127.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9127.52 PRESSURE: 3148400 10.723 -89.0927 -27.8402 -89.093 -100.153 127.885 -27.841 127.886 -52.3549 GPRESSURE: 3148400 23.9592 -171.995 -67.8324 -129.233 -43.4356 85.5195 -42.2321 122.845 -26.3367 PRESSAVG: 3148400 -2.71757 -29.7598 38.4066 -29.7598 -18.9341 -39.3916 38.4065 -39.3915 -34.7289 GPRESSAVG: 3148400 -2.07342 -30.0461 38.4948 -31.1197 -18.5818 -39.5548 38.9586 -41.0601 -35.8963 TIMING: 3148400 CPU: 9124.43, 0.00292769/step Wall: 9124.43, 0.00292769/step, 1.50581 hours remaining, 209.925781 MB of memory in use. ENERGY: 3148400 746.4229 2087.6925 1915.5074 117.6196 -206394.6220 17955.9500 0.0000 0.0000 34216.0398 -149355.3898 298.8172 -183571.4296 -149263.2608 298.1246 -47.2618 -15.2710 557772.4409 -18.7935 -18.8505 PRESSURE: 3148600 80.0262 63.511 -27.6256 63.511 -150.173 -213.056 -27.6265 -213.057 -88.5967 GPRESSURE: 3148600 45.817 56.487 -123.547 86.3631 -36.3245 -207.073 -18.3998 -233.153 -72.9358 PRESSAVG: 3148600 -67.3628 12.2432 -10.1848 12.2432 50.4133 -46.6325 -10.1849 -46.6325 -31.9109 GPRESSAVG: 3148600 -69.4338 13.2352 -10.0306 12.4915 51.0345 -47.861 -8.32239 -45.1572 -30.0111 TIMING: 3148600 CPU: 9125.01, 0.00290832/step Wall: 9125.01, 0.00290832/step, 1.49569 hours remaining, 210.128906 MB of memory in use. ENERGY: 3148600 743.0004 2136.9583 1939.5010 113.9068 -206136.8955 17664.2866 0.0000 0.0000 34216.6428 -149322.5997 298.8225 -183539.2425 -149227.9594 298.6879 -52.9144 -21.1478 557391.2301 -16.2868 -16.1368 PRESSURE: 3148800 -158.999 69.7111 -156.598 69.7119 -87.5693 1.25703 -156.598 1.25767 1.02258 GPRESSURE: 3148800 -90.4256 126.413 -82.1788 -13.8461 -63.0147 5.3466 -220.291 -54.5412 9.32048 PRESSAVG: 3148800 28.176 -24.1928 9.14403 -24.1928 22.0426 -14.1648 9.14399 -14.1649 -8.82703 GPRESSAVG: 3148800 30.1004 -24.9926 8.87067 -21.8306 20.189 -11.1937 7.27785 -15.624 -8.28297 TIMING: 3148800 CPU: 9125.59, 0.002901/step Wall: 9125.59, 0.002901/step, 1.49176 hours remaining, 210.128906 MB of memory in use. ENERGY: 3148800 766.6507 2160.3149 1940.2812 115.6354 -206186.8726 17701.3729 0.0000 0.0000 34272.8142 -149229.8033 299.3130 -183502.6175 -149130.1167 298.9409 -81.8484 -48.0399 557355.4918 13.7972 14.0021 PRESSURE: 3149000 -127.054 -82.5172 40.9397 -82.5183 -71.307 58.285 40.9397 58.2847 -57.3466 GPRESSURE: 3149000 -90.2714 -42.1149 -78.9371 -155.33 -12.3232 120.54 169.228 35.6502 -57.1269 PRESSAVG: 3149000 -24.7447 -19.7385 -41.4475 -19.7385 13.4543 42.9507 -41.4475 42.9506 44.2643 GPRESSAVG: 3149000 -23.8647 -20.5877 -41.6228 -19.5927 14.7093 41.1487 -40.3972 43.6561 41.7663 TIMING: 3149000 CPU: 9126.17, 0.0029041/step Wall: 9126.17, 0.0029041/step, 1.49319 hours remaining, 210.128906 MB of memory in use. ENERGY: 3149000 764.7450 2111.0255 1939.8529 113.1117 -206159.2700 17815.5782 0.0000 0.0000 34024.6785 -149390.2783 297.1460 -183414.9568 -149291.8298 298.5961 -85.2360 -53.2405 558348.5991 10.9913 10.8703 PRESSURE: 3149200 -76.2381 -11.2909 21.4365 -11.2905 50.2814 35.3079 21.4367 35.3095 26.7089 GPRESSURE: 3149200 -30.9653 32.3658 -75.3051 2.72013 86.1994 83.9503 51.4523 -60.6715 34.5243 PRESSAVG: 3149200 25.8328 0.558083 -12.9216 0.558096 -27.6339 -12.2172 -12.9215 -12.2172 39.4819 GPRESSAVG: 3149200 25.3639 1.18022 -11.6669 -1.02784 -27.907 -12.3795 -12.7741 -11.5544 39.9385 TIMING: 3149200 CPU: 9126.75, 0.00291306/step Wall: 9126.75, 0.00291306/step, 1.49763 hours remaining, 210.128906 MB of memory in use. ENERGY: 3149200 746.7839 2074.7936 1935.1496 122.5263 -206522.3612 17841.4671 0.0000 0.0000 34356.1828 -149445.4578 300.0411 -183801.6406 -149350.3244 298.7501 0.2507 29.9195 556942.2557 12.5603 12.4651 PRESSURE: 3149400 250.845 -14.6335 -59.074 -14.6343 112.172 53.3495 -59.0722 53.3491 -43.3063 GPRESSURE: 3149400 306.876 32.5052 -4.22524 51.0652 146.361 73.1429 -142.855 16.5224 -27.56 PRESSAVG: 3149400 -11.3741 -62.7948 26.1134 -62.7948 43.0189 -12.1353 26.1135 -12.1354 24.1142 GPRESSAVG: 3149400 -11.4176 -62.5135 23.4413 -62.4317 42.2779 -11.8155 26.71 -12.1923 24.4256 TIMING: 3149400 CPU: 9127.34, 0.00291916/step Wall: 9127.34, 0.00291916/step, 1.50061 hours remaining, 210.128906 MB of memory in use. ENERGY: 3149400 736.3136 2116.0735 1946.5173 113.5953 -206797.2179 17920.2894 0.0000 0.0000 34304.9379 -149659.4909 299.5936 -183964.4288 -149554.0985 298.8484 106.5702 141.8922 554826.7541 18.5863 18.4286 PRESSURE: 3149600 24.5345 50.98 -18.3651 50.9813 -24.2675 79.2724 -18.3643 79.2706 -309.523 GPRESSURE: 3149600 19.8056 -1.5803 -16.7615 85.5581 39.135 55.8768 21.6593 71.0719 -275.29 PRESSAVG: 3149600 62.5 28.2735 10.8399 28.2736 -24.8981 28.4316 10.8399 28.4315 -65.9692 GPRESSAVG: 3149600 62.312 28.3586 11.2763 27.5064 -24.4136 28.2235 11.169 26.9498 -66.5407 TIMING: 3149600 CPU: 9127.91, 0.00288146/step Wall: 9127.91, 0.00288146/step, 1.48107 hours remaining, 210.191406 MB of memory in use. ENERGY: 3149600 756.3706 2138.4138 1935.0519 124.4506 -206250.3790 17601.1314 0.0000 0.0000 34271.5528 -149423.4081 299.3020 -183694.9609 -149330.3853 298.7559 -103.0853 -72.1166 557613.4132 -9.4558 -9.5474 PRESSURE: 3149800 10.3252 39.2379 -72.2602 39.2387 6.39697 -47.9867 -72.2607 -47.9874 -47.5605 GPRESSURE: 3149800 29.9427 17.1528 -130.691 53.8064 87.1771 -140.212 -34.208 15.9089 -40.3109 PRESSAVG: 3149800 36.9382 -43.0607 12.3656 -43.0607 -50.8454 20.5685 12.3656 20.5685 42.1549 GPRESSAVG: 3149800 37.3645 -42.3143 13.6638 -43.1047 -50.2134 18.595 11.4672 22.5939 41.2751 TIMING: 3149800 CPU: 9128.49, 0.00290013/step Wall: 9128.49, 0.00290013/step, 1.4905 hours remaining, 210.191406 MB of memory in use. ENERGY: 3149800 734.8789 2124.8383 1936.1838 108.7998 -206470.3508 17920.5004 0.0000 0.0000 34094.4759 -149550.6737 297.7555 -183645.1495 -149458.7066 298.4886 -10.2794 25.6030 557673.6319 9.4159 9.4754 PRESSURE: 3150000 -44.657 161.067 146.238 161.065 -297.141 262.458 146.239 262.458 -46.0445 GPRESSURE: 3150000 -63.6705 122.174 88.831 217.851 -278.111 211.441 182.82 225.071 57.928 PRESSAVG: 3150000 -56.2386 -34.0051 50.1118 -34.005 -30.7406 -28.5814 50.1117 -28.5815 39.9279 GPRESSAVG: 3150000 -55.8618 -35.3868 50.9202 -33.4413 -31.7635 -26.8811 47.6739 -28.3701 40.9715 TIMING: 3150000 CPU: 9129.07, 0.00289143/step Wall: 9129.07, 0.00289143/step, 1.48587 hours remaining, 210.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3150000 736.0525 2122.1998 1929.9525 106.4148 -206092.7726 17573.9178 0.0000 0.0000 34157.2412 -149466.9941 298.3037 -183624.2352 -149367.2731 298.7183 -129.2809 -94.6177 558223.3117 -15.6838 -15.5512 PRESSURE: 3150200 103.92 -51.775 -154.923 -51.7749 -81.8338 -59.8186 -154.923 -59.8159 75.3155 GPRESSURE: 3150200 164.478 51.9817 -193.693 -81.907 41.5498 -47.0676 -163.756 -88.6336 -22.5394 PRESSAVG: 3150200 13.1791 38.9305 -1.86871 38.9306 -29.8987 13.5308 -1.86882 13.5309 23.5335 GPRESSAVG: 3150200 12.6696 41.3055 -4.16462 38.9617 -29.1868 13.9272 0.0960904 12.3522 23.2972 TIMING: 3150200 CPU: 9129.65, 0.00290326/step Wall: 9129.65, 0.00290326/step, 1.49179 hours remaining, 210.191406 MB of memory in use. ENERGY: 3150200 714.7374 2106.0369 1953.0338 119.3808 -206377.8281 17716.4549 0.0000 0.0000 34240.1025 -149528.0817 299.0273 -183768.1842 -149428.7160 298.5434 32.4672 61.1629 557707.5849 2.2713 2.2600 PRESSURE: 3150400 136.888 -60.9566 17.0443 -60.9567 -16.9705 128.266 17.0446 128.268 160.811 GPRESSURE: 3150400 171.486 -50.4999 48.5846 -87.0361 -18.1152 177.265 -8.16157 132.665 229.427 PRESSAVG: 3150400 -26.5209 -37.7812 -34.2748 -37.7812 50.0122 -11.1888 -34.2748 -11.1887 0.66831 GPRESSAVG: 3150400 -26.9129 -38.2403 -32.9491 -39.6674 50.2332 -13.6561 -33.6252 -9.0686 0.345953 TIMING: 3150400 CPU: 9130.24, 0.00292192/step Wall: 9130.24, 0.00292192/step, 1.50122 hours remaining, 210.191406 MB of memory in use. ENERGY: 3150400 748.7835 2093.0270 1946.0187 115.6449 -206938.8470 18158.1724 0.0000 0.0000 34324.3826 -149552.8179 299.7634 -183877.2005 -149461.7600 298.3234 93.5761 127.5991 558077.7485 8.0532 7.8888 PRESSURE: 3150600 -286.01 40.1592 23.0157 40.1587 -55.7961 -113.114 23.0154 -113.114 86.0984 GPRESSURE: 3150600 -250.104 50.1745 5.80043 -28.4372 -16.892 -124.014 21.0736 -135.885 92.8729 PRESSAVG: 3150600 -55.0811 28.2637 65.0677 28.2637 25.5188 30.1517 65.0677 30.1518 42.5298 GPRESSAVG: 3150600 -55.9488 24.917 66.1203 30.2996 24.6157 30.136 64.6476 29.0544 44.1703 TIMING: 3150600 CPU: 9130.82, 0.00289959/step Wall: 9130.82, 0.00289959/step, 1.48959 hours remaining, 210.191406 MB of memory in use. ENERGY: 3150600 729.7646 2109.7060 1958.5569 109.6613 -206300.0469 17766.5235 0.0000 0.0000 34077.5756 -149548.2590 297.6079 -183625.8345 -149446.9877 298.2451 -85.2360 -58.0410 558997.0836 4.3225 4.2791 PRESSURE: 3150800 75.6485 102.244 -75.4303 102.245 22.7157 -110.172 -75.4296 -110.172 -20.2074 GPRESSURE: 3150800 139.713 98.5026 -52.1523 101.558 47.2024 -121.58 -109.037 -197.262 -5.48257 PRESSAVG: 3150800 29.5915 -34.2326 -3.02168 -34.2326 -50.6234 -19.8454 -3.02163 -19.8453 30.9988 GPRESSAVG: 3150800 30.1549 -34.9331 -4.62558 -33.9045 -50.5421 -16.4064 -2.76767 -22.5156 30.4678 TIMING: 3150800 CPU: 9131.39, 0.0028935/step Wall: 9131.39, 0.0028935/step, 1.48629 hours remaining, 210.191406 MB of memory in use. ENERGY: 3150800 745.1504 2101.1990 1939.7622 105.1328 -206493.6952 17912.6169 0.0000 0.0000 34284.2292 -149405.6046 299.4127 -183689.8338 -149308.7061 298.4862 26.0523 60.4776 558471.9927 3.3223 3.3602 PRESSURE: 3151000 133.922 -181.695 78.7244 -181.693 -45.9753 109.474 78.7242 109.475 33.2491 GPRESSURE: 3151000 213.875 -106.278 168.248 -212.403 24.5507 160.039 42.6999 81.3101 -10.9663 PRESSAVG: 3151000 35.3298 -57.3827 7.24457 -57.3826 13.31 -2.96517 7.24459 -2.96512 -25.4603 GPRESSAVG: 3151000 34.2319 -55.7047 7.98045 -56.7404 13.7104 -2.30899 7.32049 -1.66816 -25.4168 TIMING: 3151000 CPU: 9131.97, 0.00290565/step Wall: 9131.97, 0.00290565/step, 1.49237 hours remaining, 210.191406 MB of memory in use. ENERGY: 3151000 722.3490 2081.3769 1932.9294 101.3410 -206551.5844 17979.7502 0.0000 0.0000 34303.0794 -149430.7584 299.5773 -183733.8378 -149339.6952 298.4714 40.3985 75.8199 558068.4366 7.7265 7.5085 PRESSURE: 3151200 59.0689 16.4848 -100.55 16.4857 30.4784 -8.14326 -100.55 -8.14474 230.478 GPRESSURE: 3151200 113.029 1.31669 -166.23 -48.6084 47.1251 24.7768 -42.1886 48.4588 253.882 PRESSAVG: 3151200 -36.1973 -38.8057 -58.5575 -38.8057 -6.53387 5.1127 -58.5575 5.11275 35.5538 GPRESSAVG: 3151200 -35.9273 -38.3538 -59.1258 -41.8097 -6.05715 2.80016 -59.8046 6.27889 34.726 TIMING: 3151200 CPU: 9132.55, 0.0028984/step Wall: 9132.55, 0.0028984/step, 1.48849 hours remaining, 210.191406 MB of memory in use. ENERGY: 3151200 765.4553 2070.0505 1960.5373 105.9646 -206614.7265 18042.4199 0.0000 0.0000 34254.7665 -149415.5323 299.1554 -183670.2988 -149317.1743 299.4611 106.6750 138.0120 556725.4069 -2.3925 -2.4195 PRESSURE: 3151400 -126.719 26.3293 26.4061 26.3291 -31.2324 132.035 26.4062 132.034 -22.3974 GPRESSURE: 3151400 -100.258 -26.9477 70.3312 109.231 26.1612 -46.8644 -112.963 156.716 -4.30974 PRESSAVG: 3151400 70.0799 -33.6454 -29.8937 -33.6454 -33.5682 -30.4554 -29.8938 -30.4553 35.9619 GPRESSAVG: 3151400 69.5507 -33.0148 -28.4997 -30.4816 -34.3897 -30.1872 -29.1565 -30.0734 37.3297 TIMING: 3151400 CPU: 9133.14, 0.00291948/step Wall: 9133.14, 0.00291947/step, 1.49915 hours remaining, 210.191406 MB of memory in use. ENERGY: 3151400 734.2321 2098.9703 1949.1463 114.4302 -206540.3213 17751.0685 0.0000 0.0000 34353.2893 -149539.1846 300.0158 -183892.4739 -149439.6194 299.1523 -60.1163 -26.1355 556845.1819 24.1579 24.1636 PRESSURE: 3151600 -22.4406 -5.07926 15.931 -5.07707 268.654 34.7565 15.9299 34.7577 127.388 GPRESSURE: 3151600 -22.7572 69.4847 3.65264 -40.7823 314.453 35.6358 10.7084 27.7153 177.567 PRESSAVG: 3151600 -70.7893 -36.6648 -5.3792 -36.6648 18.9861 -29.4612 -5.37928 -29.4613 6.98697 GPRESSAVG: 3151600 -70.7475 -38.0795 -5.23274 -38.8778 18.677 -30.99 -6.36456 -30.2984 7.35945 TIMING: 3151600 CPU: 9133.72, 0.00291227/step Wall: 9133.72, 0.00291227/step, 1.49529 hours remaining, 210.191406 MB of memory in use. ENERGY: 3151600 709.5463 2092.1282 1924.1329 101.2803 -206834.2804 17974.2880 0.0000 0.0000 34370.8769 -149662.0278 300.1694 -184032.9048 -149563.1189 298.3413 124.5335 156.4210 556452.1414 -14.9387 -14.9037 PRESSURE: 3151800 149.478 8.58349 -10.4908 8.58319 167.867 33.4483 -10.4907 33.4488 112.548 GPRESSURE: 3151800 177.062 -83.4165 -10.5497 -1.88206 197.954 43.9284 -5.75514 -3.86467 150.24 PRESSAVG: 3151800 8.86039 -2.97261 -36.5067 -2.97259 -14.2231 -1.37129 -36.5067 -1.37129 23.2615 GPRESSAVG: 3151800 8.98521 -1.94421 -37.9503 -4.35947 -13.4865 -0.0722002 -35.9232 -2.35728 22.7623 TIMING: 3151800 CPU: 9134.31, 0.00293192/step Wall: 9134.31, 0.00293192/step, 1.50522 hours remaining, 210.191406 MB of memory in use. ENERGY: 3151800 722.3935 2144.7656 1952.1840 106.8927 -206386.9148 18005.2675 0.0000 0.0000 34021.4498 -149433.9616 297.1178 -183455.4115 -149334.2268 298.1916 143.2978 175.0854 557356.0953 5.9663 6.0870 PRESSURE: 3152000 -8.99948 147.777 -63.3966 147.777 -150.287 144.228 -63.3965 144.23 -231.263 GPRESSURE: 3152000 10.32 130.912 -46.8582 118.23 -91.7285 155.032 -167.858 90.0193 -193.006 PRESSAVG: 3152000 -12.6108 33.2648 -66.166 33.2648 -0.449218 21.3246 -66.166 21.3246 5.61933 GPRESSAVG: 3152000 -12.2179 33.5775 -66.3543 35.1195 -1.25071 21.9814 -65.1064 22.3422 6.01337 TIMING: 3152000 CPU: 9134.88, 0.00288434/step Wall: 9134.88, 0.00288434/step, 1.48063 hours remaining, 210.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3152000 755.9430 2060.1384 1905.9821 131.1994 -206247.6545 17673.5650 0.0000 0.0000 34427.5495 -149293.2772 300.6644 -183720.8266 -149190.7498 298.7998 -130.1832 -91.4716 557874.4736 -2.4802 -2.4851 PRESSURE: 3152200 -156.13 5.7785 -35.2369 5.7775 -54.1239 1.14623 -35.2374 1.14573 -64.7085 GPRESSURE: 3152200 -127.761 -67.2722 -211.507 70.6696 -37.306 11.549 121.417 -19.2239 -3.35979 PRESSAVG: 3152200 -56.2329 -8.89047 -3.66149 -8.89052 54.25 20.6517 -3.66161 20.6517 9.44652 GPRESSAVG: 3152200 -55.7434 -10.9364 -2.54789 -7.91266 54.5287 18.8811 -4.08008 20.9364 8.53214 TIMING: 3152200 CPU: 9135.46, 0.00287418/step Wall: 9135.46, 0.00287418/step, 1.47525 hours remaining, 210.191406 MB of memory in use. ENERGY: 3152200 737.7181 2106.1150 1925.6299 98.9616 -206083.9943 17611.7515 0.0000 0.0000 34119.5542 -149484.2641 297.9746 -183603.8183 -149377.7956 298.9004 -91.6542 -56.1424 557175.1126 2.4879 2.4391 LDB: ============= START OF LOAD BALANCING ============== 9138.84 LDB: ============== END OF LOAD BALANCING =============== 9138.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9138.85 LDB: ============= START OF LOAD BALANCING ============== 9139.14 LDB: Largest compute 4800 load 0.021018 is 17.8% of average load 0.117963 LDB: Average compute 0.001728 is 1.5% of average load 0.117963 LDB: TIME 9139.14 LOAD: AVG 0.117963 MAX 0.179216 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.441 MB LDB: TIME 9139.14 LOAD: AVG 0.117963 MAX 0.179216 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.68 MB LDB: TIME 9139.14 LOAD: AVG 0.117963 MAX 0.179216 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.68 MB LDB: ============== END OF LOAD BALANCING =============== 9139.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9139.14 PRESSURE: 3152400 -62.32 6.61882 -29.8274 6.61834 -203.717 -12.0305 -29.8293 -12.0301 512.078 GPRESSURE: 3152400 -27.925 52.9107 2.64474 -49.8413 -79.034 -5.82111 -48.4437 11.3846 446.599 PRESSAVG: 3152400 12.4755 -37.8451 -10.6449 -37.8452 -26.1858 2.51478 -10.6449 2.51481 41.1622 GPRESSAVG: 3152400 11.2807 -35.6889 -9.18594 -41.0176 -24.773 3.41571 -12.0035 3.98259 40.5802 TIMING: 3152400 CPU: 9136.05, 0.00295011/step Wall: 9136.05, 0.00295011/step, 1.51406 hours remaining, 210.117188 MB of memory in use. ENERGY: 3152400 732.1146 2084.0261 1960.2085 119.3974 -206456.0151 18051.2544 0.0000 0.0000 34167.1173 -149341.8968 298.3899 -183509.0142 -149250.0064 298.6067 82.0136 113.2132 556137.3847 9.1507 9.0293 PRESSURE: 3152600 59.1857 82.1774 -102.191 82.1767 -86.4336 70.4429 -102.192 70.4424 -367.154 GPRESSURE: 3152600 59.3738 42.3676 -160.124 33.5462 -59.205 8.24266 -79.8053 49.7565 -299.844 PRESSAVG: 3152600 25.8939 38.8547 1.86014 38.8547 -26.1019 -10.0216 1.86006 -10.0216 -27.6813 GPRESSAVG: 3152600 26.3527 39.0453 0.318659 40.3533 -27.0221 -11.3742 1.56423 -10.7272 -26.6126 TIMING: 3152600 CPU: 9136.63, 0.00290155/step Wall: 9136.63, 0.00290155/step, 1.48898 hours remaining, 210.320312 MB of memory in use. ENERGY: 3152600 744.2553 2090.6866 1931.7417 115.2506 -205945.7407 17673.2537 0.0000 0.0000 34239.1299 -149151.4231 299.0188 -183390.5529 -149057.4919 298.7393 -131.4673 -99.8916 558720.6149 -9.2964 -9.0940 PRESSURE: 3152800 -243.276 70.9135 -48.393 70.9134 46.6139 -127.479 -48.393 -127.479 97.9078 GPRESSURE: 3152800 -189.015 86.2994 -62.5937 -22.068 85.1067 -123.838 -101.275 -107.337 102.037 PRESSAVG: 3152800 -5.45813 35.0819 -55.2423 35.0818 -21.5493 31.2928 -55.2423 31.2928 64.8834 GPRESSAVG: 3152800 -4.95372 35.9846 -55.6852 34.9392 -21.2409 32.2412 -54.3904 31.3178 64.5206 TIMING: 3152800 CPU: 9137.2, 0.00287711/step Wall: 9137.2, 0.00287711/step, 1.47628 hours remaining, 210.320312 MB of memory in use. ENERGY: 3152800 761.8623 2141.4882 1942.0777 102.6790 -206073.7925 17596.4648 0.0000 0.0000 34278.6516 -149250.5689 299.3640 -183529.2205 -149159.8292 300.0327 -32.9180 -0.6238 554509.7406 12.6253 12.7753 PRESSURE: 3153000 -356.37 121.308 4.82063 121.307 -80.2064 123.299 4.82213 123.299 49.0574 GPRESSURE: 3153000 -287.27 119.759 -96.3705 167.255 -64.441 78.6376 52.7643 150.577 57.3272 PRESSAVG: 3153000 -11.7715 68.1501 -22.8314 68.15 -39.8109 -5.86356 -22.8314 -5.86362 17.8834 GPRESSAVG: 3153000 -11.3981 67.4927 -20.618 67.6238 -41.4671 -5.57298 -25.463 -4.97995 19.3643 TIMING: 3153000 CPU: 9137.78, 0.00288762/step Wall: 9137.78, 0.00288762/step, 1.48151 hours remaining, 210.320312 MB of memory in use. ENERGY: 3153000 728.5805 2074.6936 1935.0200 107.0300 -205720.9663 17463.4726 0.0000 0.0000 34265.4482 -149146.7214 299.2487 -183412.1696 -149056.5314 299.5409 -129.1731 -98.1281 556147.6779 -11.2330 -11.1670 PRESSURE: 3153200 34.545 116.503 111.697 116.505 -329.248 -130.112 111.695 -130.112 36.5592 GPRESSURE: 3153200 47.3597 161.531 175.587 91.9177 -229.258 -143.598 100.358 -128.2 23.39 PRESSAVG: 3153200 44.1876 7.9248 -19.0117 7.92487 -53.266 -50.9561 -19.0117 -50.9562 45.4035 GPRESSAVG: 3153200 43.4167 6.69354 -20.6105 8.84531 -52.0573 -50.5092 -14.5899 -54.948 44.4756 TIMING: 3153200 CPU: 9138.36, 0.00289617/step Wall: 9138.36, 0.00289617/step, 1.48573 hours remaining, 210.320312 MB of memory in use. ENERGY: 3153200 738.2584 2060.8743 1971.6931 104.1549 -205877.2164 17538.7956 0.0000 0.0000 34363.2936 -149100.1465 300.1032 -183463.4401 -149003.2222 299.4735 -86.0479 -52.8362 558929.5463 12.1084 11.9450 PRESSURE: 3153400 -412.581 -53.0402 158.114 -53.04 -27.3855 -35.3661 158.114 -35.3657 -34.8272 GPRESSURE: 3153400 -369.095 -110.104 154.625 -70.235 -25.4365 -105.211 173.82 23.9026 19.9005 PRESSAVG: 3153400 57.0924 51.4872 -52.2468 51.4872 -100.381 -16.6007 -52.2468 -16.6007 18.4221 GPRESSAVG: 3153400 57.7543 51.6578 -52.5551 49.668 -100.597 -16.2848 -54.0122 -14.2398 18.6092 TIMING: 3153400 CPU: 9138.94, 0.0028926/step Wall: 9138.94, 0.0028926/step, 1.48374 hours remaining, 210.320312 MB of memory in use. ENERGY: 3153400 762.7795 2138.7829 1949.4906 114.3579 -205446.9133 17514.1817 0.0000 0.0000 34042.0567 -148925.2639 297.2977 -182967.3206 -148832.2689 299.6808 -158.2646 -124.8769 558945.9130 -8.2888 -8.0780 PRESSURE: 3153600 -341.591 13.2157 -17.9714 13.2163 -159.919 -20.0325 -17.9716 -20.0329 -224.877 GPRESSURE: 3153600 -268.838 -8.03758 -8.11568 68.0994 -94.1672 -42.7719 -15.4022 -43.7663 -268.454 PRESSAVG: 3153600 -6.4789 52.1701 55.7205 52.1702 -2.48569 -21.0902 55.7205 -21.0901 21.2226 GPRESSAVG: 3153600 -6.17008 53.2579 57.5299 53.2893 -2.55938 -22.5946 56.651 -20.3826 20.5058 TIMING: 3153600 CPU: 9139.52, 0.00290599/step Wall: 9139.52, 0.00290599/step, 1.49045 hours remaining, 210.320312 MB of memory in use. ENERGY: 3153600 797.8929 2095.5873 1933.4893 111.2430 -205871.4260 17563.4660 0.0000 0.0000 34412.0043 -148957.7433 300.5286 -183369.7476 -148860.3164 299.9743 -242.1288 -210.4865 558710.8034 4.0860 3.9254 PRESSURE: 3153800 -88.282 31.3475 80.7892 31.3486 -49.5437 3.93371 80.7907 3.93497 147.093 GPRESSURE: 3153800 -28.7456 60.4567 70.6745 46.2597 -30.6606 48.9622 -1.78867 -79.4259 163.43 PRESSAVG: 3153800 30.4808 71.3601 -56.896 71.3601 -24.1721 -1.03936 -56.8959 -1.03935 -12.9273 GPRESSAVG: 3153800 31.0922 69.9556 -58.6171 72.9906 -24.6086 0.23662 -59.191 -3.85169 -12.6996 TIMING: 3153800 CPU: 9140.1, 0.00288934/step Wall: 9140.1, 0.00288934/step, 1.48175 hours remaining, 210.320312 MB of memory in use. ENERGY: 3153800 708.0768 2078.2580 1947.0119 115.0983 -205800.9464 17747.2327 0.0000 0.0000 34257.8466 -148947.4221 299.1823 -183205.2687 -148842.1625 300.2228 3.0890 34.6746 559356.5705 -2.2062 -2.0720 PRESSURE: 3154000 165.837 138.017 29.4875 138.017 -36.0398 21.8265 29.4876 21.8264 -174.618 GPRESSURE: 3154000 134.237 122.486 56.1749 111.954 -23.7423 -42.0542 94.5328 21.6697 -72.1749 PRESSAVG: 3154000 26.0322 9.59626 -13.0941 9.59626 6.72933 11.5372 -13.0942 11.5374 15.4451 GPRESSAVG: 3154000 24.7552 9.30893 -12.2157 8.09002 7.64677 11.191 -10.8437 13.5867 15.7533 TIMING: 3154000 CPU: 9140.68, 0.00288479/step Wall: 9140.68, 0.00288479/step, 1.47926 hours remaining, 210.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3154000 762.3830 2125.9616 1938.8785 118.5583 -206023.6385 17759.0498 0.0000 0.0000 34330.7298 -148988.0776 299.8188 -183318.8073 -148890.8802 299.5196 -14.9401 12.7732 559617.1345 16.0689 16.0517 PRESSURE: 3154200 -111.549 -41.1904 42.5095 -41.1921 -15.936 -53.7345 42.51 -53.7349 -56.0366 GPRESSURE: 3154200 -42.4828 -78.7847 97.9978 76.3746 0.69523 -45.0317 65.157 -16.452 -33.4446 PRESSAVG: 3154200 -54.2738 -0.80726 33.0425 -0.807214 -19.5818 34.5887 33.0425 34.5888 1.75038 GPRESSAVG: 3154200 -54.0241 -1.18321 31.6114 -1.19788 -18.2227 35.0301 32.2374 33.7627 0.869155 TIMING: 3154200 CPU: 9141.25, 0.00287906/step Wall: 9141.25, 0.00287906/step, 1.47616 hours remaining, 210.320312 MB of memory in use. ENERGY: 3154200 747.0963 2042.3418 1950.0412 114.0615 -206010.0083 17708.0759 0.0000 0.0000 34620.0624 -148828.3292 302.3456 -183448.3916 -148731.6364 299.5635 -61.1740 -25.0774 559795.4678 -24.0351 -23.7926 PRESSURE: 3154400 -88.2283 18.3011 -95.8091 18.3017 63.0151 5.30424 -95.8097 5.30444 106.655 GPRESSURE: 3154400 -47.9563 27.4898 -102.666 -27.6019 50.4418 70.7554 -67.4346 50.4348 179.976 PRESSAVG: 3154400 32.259 3.31636 -23.0261 3.31634 21.8448 -26.2337 -23.0261 -26.2336 -7.28829 GPRESSAVG: 3154400 31.5965 3.33521 -24.3715 3.39995 20.7869 -27.9567 -22.7986 -25.4398 -5.96501 TIMING: 3154400 CPU: 9141.83, 0.00287652/step Wall: 9141.83, 0.00287652/step, 1.47469 hours remaining, 210.320312 MB of memory in use. ENERGY: 3154400 738.4642 2083.7109 1912.4884 110.8196 -205820.7509 17677.9033 0.0000 0.0000 34530.2298 -148767.1347 301.5611 -183297.3645 -148667.1419 300.8543 27.1473 60.8204 557861.4432 15.6052 15.4728 PRESSURE: 3154600 -93.4582 -36.0302 -111.517 -36.0303 -264.49 27.3249 -111.519 27.3253 -148.239 GPRESSURE: 3154600 -68.327 8.06635 -110.745 -41.6861 -233.996 27.0364 -140.503 7.23802 -92.4536 PRESSAVG: 3154600 -32.4815 19.3825 -18.7828 19.3825 7.44438 -21.2534 -18.7827 -21.2534 -9.33256 GPRESSAVG: 3154600 -31.5329 22.2958 -19.0694 18.866 6.73163 -18.2094 -17.104 -21.5253 -9.26286 TIMING: 3154600 CPU: 9142.41, 0.00289777/step Wall: 9142.41, 0.00289777/step, 1.48543 hours remaining, 210.320312 MB of memory in use. ENERGY: 3154600 764.3961 2069.2162 1954.9610 115.1997 -205521.9002 17499.4559 0.0000 0.0000 34152.2142 -148966.4571 298.2598 -183118.6713 -148871.1419 299.9315 -168.7289 -131.5920 559761.0024 -11.4565 -11.3547 PRESSURE: 3154800 -97.7202 -96.4934 46.0478 -96.4934 171.405 -20.7496 46.0481 -20.7492 40.2953 GPRESSURE: 3154800 -91.8089 -147.279 22.8467 -23.814 219.154 -25.6437 39.2981 -79.542 81.2582 PRESSAVG: 3154800 -1.48399 -21.7445 -56.7149 -21.7445 -13.3006 -4.1547 -56.7149 -4.15464 54.4046 GPRESSAVG: 3154800 -1.96941 -22.3675 -54.2326 -22.7241 -12.6834 -6.92212 -60.173 -4.84525 54.1879 TIMING: 3154800 CPU: 9142.98, 0.00288653/step Wall: 9142.98, 0.00288653/step, 1.47951 hours remaining, 210.320312 MB of memory in use. ENERGY: 3154800 748.5179 2060.2579 1941.5872 111.0636 -206121.9931 17938.5222 0.0000 0.0000 34332.7921 -148989.2522 299.8368 -183322.0443 -148900.7672 299.5919 37.9935 69.5343 559260.0840 13.2067 13.1783 PRESSURE: 3155000 36.6058 -177.677 94.7046 -177.676 132.412 -35.2264 94.7049 -35.2273 -164.231 GPRESSURE: 3155000 81.6638 -272.224 200.938 -96.1729 129.645 -51.1623 23.5752 -96.0321 -105.645 PRESSAVG: 3155000 14.453 23.1676 3.44794 23.1676 47.0206 -34.7124 3.4479 -34.7124 -83.6903 GPRESSAVG: 3155000 15.3732 19.8626 2.66279 26.8068 45.3598 -35.2728 5.7055 -35.7581 -83.1394 TIMING: 3155000 CPU: 9143.56, 0.00288135/step Wall: 9143.56, 0.00288135/step, 1.47669 hours remaining, 210.320312 MB of memory in use. ENERGY: 3155000 766.4490 2053.0782 1937.3683 105.4550 -206468.3353 18015.4626 0.0000 0.0000 34506.0852 -149084.4370 301.3502 -183590.5222 -148982.9414 299.9947 1.5956 35.2213 558555.4233 -7.4055 -7.4688 PRESSURE: 3155200 222.02 79.4262 -49.6723 79.4263 -114.79 -13.1663 -49.6708 -13.1668 283.635 GPRESSURE: 3155200 328.682 142.288 -151.961 58.6619 -88.9209 -113.447 10.3171 -59.6158 261.082 PRESSAVG: 3155200 -32.2514 -22.8608 -16.1761 -22.8609 37.9644 7.85751 -16.1762 7.85753 -24.0617 GPRESSAVG: 3155200 -32.1844 -21.5734 -17.3287 -24.3416 39.1877 9.63612 -17.6137 7.48954 -25.6601 TIMING: 3155200 CPU: 9144.14, 0.00290073/step Wall: 9144.14, 0.00290073/step, 1.48646 hours remaining, 210.320312 MB of memory in use. ENERGY: 3155200 728.7283 2156.7134 1957.3040 115.0130 -206547.4067 18113.1720 0.0000 0.0000 34516.6087 -148959.8673 301.4421 -183476.4760 -148857.8022 299.6215 130.2882 166.9477 557795.7558 -6.1162 -6.2190 PRESSURE: 3155400 -18.0033 -14.7234 29.7996 -14.7241 85.3165 -54.8742 29.7993 -54.8746 -44.1178 GPRESSURE: 3155400 9.3445 5.1528 50.1773 -119.062 100.497 -18.181 -5.69495 -66.7522 9.20764 PRESSAVG: 3155400 -17.0261 -39.5019 -40.8687 -39.5018 -80.0876 -13.3518 -40.8688 -13.3518 79.3491 GPRESSAVG: 3155400 -18.3267 -38.4736 -42.5496 -40.6657 -79.9292 -15.0949 -39.8161 -12.4185 80.7321 TIMING: 3155400 CPU: 9144.72, 0.00288828/step Wall: 9144.72, 0.00288828/step, 1.47992 hours remaining, 210.320312 MB of memory in use. ENERGY: 3155400 764.2126 2068.2861 1946.0974 120.1302 -206262.2954 17888.3262 0.0000 0.0000 34514.2286 -148961.0143 301.4213 -183475.2429 -148856.9018 299.6217 7.7318 39.6831 557121.8444 -5.9215 -5.8413 PRESSURE: 3155600 -362.939 52.3347 -124.777 52.3353 -284.584 -78.4372 -124.777 -78.4374 198.937 GPRESSURE: 3155600 -323.011 -14.8223 -131.12 92.278 -270.138 -23.5218 -47.7511 -87.8933 251.032 PRESSAVG: 3155600 -12.9301 1.77796 -22.4323 1.778 -11.4781 -16.017 -22.4322 -16.0169 36.5863 GPRESSAVG: 3155600 -12.0076 2.00154 -21.1327 3.48934 -11.1304 -15.4178 -22.3865 -14.3804 35.8151 TIMING: 3155600 CPU: 9145.3, 0.00288765/step Wall: 9145.3, 0.00288765/step, 1.47944 hours remaining, 210.320312 MB of memory in use. ENERGY: 3155600 752.3256 2092.6246 1984.6336 125.0015 -205887.7203 17685.2117 0.0000 0.0000 34231.5253 -149016.3979 298.9524 -183247.9233 -148926.5291 299.6438 -149.5288 -114.0389 558645.0791 4.0594 4.2257 PRESSURE: 3155800 151.437 -196.111 -76.6422 -196.111 -100.028 -134.433 -76.6429 -134.436 -31.1642 GPRESSURE: 3155800 141.374 -221.189 -90.8313 -126.139 -73.0177 -156.466 31.317 -134.021 55.9062 PRESSAVG: 3155800 2.66468 7.81228 -15.7783 7.81228 7.17193 -54.8391 -15.7782 -54.8391 17.2347 GPRESSAVG: 3155800 2.63489 5.25697 -16.2951 6.17424 6.34163 -56.5854 -14.991 -53.2873 17.3382 TIMING: 3155800 CPU: 9145.87, 0.00288575/step Wall: 9145.87, 0.00288575/step, 1.47831 hours remaining, 210.320312 MB of memory in use. ENERGY: 3155800 745.4456 2007.8146 1982.4845 104.8799 -206386.6839 18038.4153 0.0000 0.0000 34230.5265 -149277.1175 298.9437 -183507.6440 -149183.6118 299.3755 6.7483 41.4209 557761.0419 9.0238 8.7716 PRESSURE: 3156000 -73.4739 -90.6295 105.559 -90.6301 14.2735 169.06 105.559 169.059 -36.2493 GPRESSURE: 3156000 29.6038 -116.596 52.6099 -51.9093 3.62301 118.463 103.977 154.032 -25.4566 PRESSAVG: 3156000 2.68715 -58.7033 24.6602 -58.7033 -17.4847 -33.9643 24.6601 -33.9643 -0.282723 GPRESSAVG: 3156000 2.49968 -57.1787 26.3095 -58.135 -18.0119 -32.3412 21.4675 -35.2371 0.536468 TIMING: 3156000 CPU: 9146.45, 0.00288078/step Wall: 9146.45, 0.00288078/step, 1.4756 hours remaining, 210.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3156000 723.0807 2088.8571 1945.8813 109.1637 -206284.0203 17783.6646 0.0000 0.0000 34348.9730 -149284.3999 299.9781 -183633.3729 -149188.5192 298.4913 -31.8166 2.5901 558706.5941 -5.0268 -4.9919 PRESSURE: 3156200 -135.189 30.9571 -28.9564 30.9564 -54.5961 14.6299 -28.956 14.6302 121.495 GPRESSURE: 3156200 -148.399 -0.421631 -45.4745 67.1706 41.2563 15.6035 30.3978 15.0696 130.915 PRESSAVG: 3156200 -12.6795 22.651 15.9635 22.651 -48.3009 -0.0350359 15.9637 -0.0350015 34.3546 GPRESSAVG: 3156200 -11.3357 23.2736 16.4485 23.1859 -48.2072 -1.04666 18.3409 -1.22561 32.8917 TIMING: 3156200 CPU: 9147.02, 0.00286668/step Wall: 9147.02, 0.00286668/step, 1.46822 hours remaining, 210.320312 MB of memory in use. ENERGY: 3156200 732.5827 2056.5551 1945.5211 113.6122 -205985.1319 17687.7328 0.0000 0.0000 34094.3391 -149354.7888 297.7543 -183449.1279 -149264.7001 298.6665 -22.7633 7.9242 556816.4878 -8.8753 -8.8838 LDB: ============= START OF LOAD BALANCING ============== 9150.41 LDB: ============== END OF LOAD BALANCING =============== 9150.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9150.41 LDB: ============= START OF LOAD BALANCING ============== 9150.69 LDB: Largest compute 4800 load 0.020426 is 17.3% of average load 0.117958 LDB: Average compute 0.001723 is 1.5% of average load 0.117958 LDB: TIME 9150.7 LOAD: AVG 0.117958 MAX 0.177455 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.914 MB LDB: TIME 9150.7 LOAD: AVG 0.117958 MAX 0.177455 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.98 MB LDB: TIME 9150.7 LOAD: AVG 0.117958 MAX 0.177455 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.98 MB LDB: ============== END OF LOAD BALANCING =============== 9150.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9150.7 PRESSURE: 3156400 -276.394 -38.6201 -13.6443 -38.6207 -36.8428 -141.466 -13.6452 -141.467 -346.664 GPRESSURE: 3156400 -264.954 9.15417 67.73 -13.5822 -25.6339 -140.748 -85.2518 -98.1362 -263.061 PRESSAVG: 3156400 -52.4733 14.8097 -26.5063 14.8098 68.5104 -11.1278 -26.5062 -11.1278 -11.4849 GPRESSAVG: 3156400 -53.878 16.4782 -25.8042 13.4335 68.9577 -9.40518 -28.0018 -11.1633 -10.5038 TIMING: 3156400 CPU: 9147.61, 0.00292091/step Wall: 9147.61, 0.00292091/step, 1.49583 hours remaining, 208.523438 MB of memory in use. ENERGY: 3156400 763.5024 2045.7184 1971.5250 121.9787 -206056.8303 17453.1396 0.0000 0.0000 34342.3973 -149358.5689 299.9207 -183700.9662 -149258.5887 298.9469 -219.9671 -184.5496 556011.7718 1.5174 1.5253 PRESSURE: 3156600 13.4798 -132.908 230.195 -132.909 213.589 -34.3647 230.196 -34.3642 -43.8538 GPRESSURE: 3156600 41.4973 -126.051 213.545 -110.234 194.498 9.42357 167.033 -5.0046 46.458 PRESSAVG: 3156600 -19.2812 -52.578 -43.3636 -52.578 -26.5421 -9.70231 -43.3635 -9.70241 -3.02832 GPRESSAVG: 3156600 -19.5447 -53.9562 -46.1021 -52.3864 -26.0501 -10.3902 -41.8288 -11.2708 -3.14114 TIMING: 3156600 CPU: 9148.18, 0.00285953/step Wall: 9148.18, 0.00285953/step, 1.46424 hours remaining, 208.523438 MB of memory in use. ENERGY: 3156600 756.2363 2053.8749 1941.1879 118.7737 -206458.3582 17935.5599 0.0000 0.0000 34341.4058 -149311.3196 299.9120 -183652.7255 -149220.1033 299.0287 61.0717 94.1510 556228.9108 -16.2839 -16.2453 PRESSURE: 3156800 -195.631 126.604 68.3892 126.605 69.261 37.2082 68.3896 37.2095 -113.994 GPRESSURE: 3156800 -165.547 155.651 13.5095 115.206 65.6356 -15.9562 23.4234 9.98618 -50.7261 PRESSAVG: 3156800 -31.6568 64.6597 29.8378 64.6598 29.4026 -26.3664 29.8379 -26.3663 37.2355 GPRESSAVG: 3156800 -32.0985 62.9604 29.8861 64.0666 28.4685 -24.8774 30.686 -27.0476 37.5168 TIMING: 3156800 CPU: 9148.75, 0.00287313/step Wall: 9148.75, 0.00287313/step, 1.47104 hours remaining, 208.523438 MB of memory in use. ENERGY: 3156800 778.4820 2046.3375 1958.9627 114.6708 -206134.0614 17751.3278 0.0000 0.0000 34110.0650 -149374.2155 297.8917 -183484.2805 -149282.0290 299.3195 -80.1213 -50.2125 557697.8367 11.6604 11.2956 PRESSURE: 3157000 184.576 10.0078 27.7806 10.0075 -258.065 97.2037 27.7806 97.2049 49.2483 GPRESSURE: 3157000 253.757 -11.4899 15.868 23.6114 -214.076 97.8576 91.537 109.923 28.1952 PRESSAVG: 3157000 -43.5708 35.1965 -5.60334 35.1965 -25.1874 -3.41396 -5.60318 -3.4139 74.5581 GPRESSAVG: 3157000 -43.5787 37.3729 -3.4831 34.9384 -24.7225 -5.23962 -7.0714 -0.201524 74.0516 TIMING: 3157000 CPU: 9149.32, 0.00285414/step Wall: 9149.32, 0.00285414/step, 1.46116 hours remaining, 208.523438 MB of memory in use. ENERGY: 3157000 774.9466 2109.6995 1964.9000 119.9897 -206436.5919 17837.1620 0.0000 0.0000 34229.4445 -149400.4496 298.9343 -183629.8941 -149312.5416 298.2069 -8.0801 22.6254 557991.4232 1.9333 1.9168 PRESSURE: 3157200 106.654 -29.9112 18.7177 -29.9115 254.381 -88.648 18.7182 -88.6467 -141.442 GPRESSURE: 3157200 193.194 -52.9137 -38.7317 7.26969 233.06 24.4177 43.4124 -109.098 -106.805 PRESSAVG: 3157200 24.2623 7.71474 -34.1638 7.71473 13.8148 37.8711 -34.1638 37.8711 23.7114 GPRESSAVG: 3157200 25.6245 9.21602 -34.9983 5.67834 13.6242 37.0451 -33.0817 37.8867 22.8383 TIMING: 3157200 CPU: 9149.9, 0.00285632/step Wall: 9149.9, 0.00285632/step, 1.46212 hours remaining, 208.523438 MB of memory in use. ENERGY: 3157200 726.5133 2085.2147 1967.6237 106.1999 -206723.5426 17940.0338 0.0000 0.0000 34348.5639 -149549.3932 299.9746 -183897.9572 -149452.8409 299.5953 73.1974 106.4832 556332.5319 20.5962 20.6957 PRESSURE: 3157400 -28.4385 -159.409 74.8969 -159.409 -116.056 100.552 74.8959 100.552 17.5008 GPRESSURE: 3157400 9.82751 -199.37 119.534 -205.871 -90.4029 168.952 37.6351 116.414 47.3147 PRESSAVG: 3157400 63.8983 -19.8393 4.58067 -19.8394 -13.7363 16.1524 4.58061 16.1524 -51.476 GPRESSAVG: 3157400 63.1232 -23.0329 5.11576 -17.2659 -12.2915 18.4716 1.57995 13.852 -52.4298 TIMING: 3157400 CPU: 9150.47, 0.0028668/step Wall: 9150.47, 0.0028668/step, 1.46733 hours remaining, 208.523438 MB of memory in use. ENERGY: 3157400 751.8543 2127.2083 1936.5924 99.1783 -206681.1857 18039.6644 0.0000 0.0000 34249.8619 -149476.8261 299.1126 -183726.6880 -149379.0122 298.8522 -42.3314 -11.0869 557232.3600 -0.4380 -0.5327 PRESSURE: 3157600 130.44 89.1508 56.0019 89.15 497.62 -65.0505 56.0022 -65.0497 57.5418 GPRESSURE: 3157600 167.788 137.16 -0.344751 82.8345 552.774 -32.816 84.7006 -56.1988 60.0806 PRESSAVG: 3157600 30.8377 -3.40365 79.5122 -3.40365 -29.9565 55.6323 79.5121 55.6324 6.70977 GPRESSAVG: 3157600 29.541 -2.84632 78.1719 -4.89688 -29.1909 55.8425 82.7075 56.7669 7.82024 TIMING: 3157600 CPU: 9151.04, 0.00286289/step Wall: 9151.04, 0.00286289/step, 1.46516 hours remaining, 208.523438 MB of memory in use. ENERGY: 3157600 741.2023 2092.5023 1972.9847 119.6354 -206480.9461 18032.6035 0.0000 0.0000 34166.2377 -149355.7801 298.3823 -183522.0178 -149261.1259 299.2181 228.5341 260.2141 556759.0935 2.5303 2.7235 PRESSURE: 3157800 151.168 10.7606 -103.529 10.7607 110.591 -27.5877 -103.529 -27.5874 -230.801 GPRESSURE: 3157800 182.331 -42.0255 -96.7478 -8.34994 139.686 50.2678 -52.4257 -40.7507 -187.071 PRESSAVG: 3157800 4.67217 -17.2924 44.8613 -17.2923 -7.51462 6.546 44.8614 6.54613 -10.5788 GPRESSAVG: 3157800 5.01682 -15.8655 45.7768 -17.317 -8.3121 6.37721 43.0844 6.93724 -10.0042 TIMING: 3157800 CPU: 9151.62, 0.00290145/step Wall: 9151.62, 0.00290145/step, 1.48474 hours remaining, 208.523438 MB of memory in use. ENERGY: 3157800 741.2472 2056.9002 1961.5571 117.8994 -206365.6255 17777.4200 0.0000 0.0000 34231.5796 -149479.0219 298.9529 -183710.6015 -149383.9293 298.6109 10.3194 44.9819 556039.5533 -4.4738 -4.4332 PRESSURE: 3158000 -108.719 -76.6673 80.8261 -76.6674 260.386 14.8375 80.8266 14.8347 66.998 GPRESSURE: 3158000 -80.994 -150.028 75.872 30.0573 280.056 46.5135 106.765 -1.35679 114.983 PRESSAVG: 3158000 79.4677 -21.0988 54.6926 -21.0988 -49.442 -57.0518 54.6926 -57.0518 -12.3245 GPRESSAVG: 3158000 79.1882 -20.9875 55.841 -22.9201 -49.2813 -58.9903 54.9267 -57.8005 -12.3682 TIMING: 3158000 CPU: 9152.2, 0.0028813/step Wall: 9152.2, 0.0028813/step, 1.47427 hours remaining, 208.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3158000 756.2795 2145.2472 1947.0041 103.2749 -206458.0080 17984.6420 0.0000 0.0000 33958.8062 -149562.7542 296.5707 -183521.5604 -149463.0435 298.0264 72.8883 104.6817 557018.5448 5.9004 5.8462 PRESSURE: 3158200 57.8084 -147.398 -26.3935 -147.399 213.055 -81.1669 -26.3932 -81.1671 149.543 GPRESSURE: 3158200 88.0232 -142.696 -21.4504 -108.267 232.798 -14.5103 -11.7119 -83.2843 195.044 PRESSAVG: 3158200 7.87798 -12.0562 42.9729 -12.0562 -95.4737 -46.4599 42.973 -46.4598 75.7125 GPRESSAVG: 3158200 8.88015 -13.2546 40.7152 -9.53252 -96.7924 -43.9375 44.0082 -46.6255 75.5176 TIMING: 3158200 CPU: 9152.77, 0.00287171/step Wall: 9152.77, 0.00287171/step, 1.4692 hours remaining, 208.523438 MB of memory in use. ENERGY: 3158200 701.0182 2121.9115 1939.1629 123.5812 -206858.7794 18118.3694 0.0000 0.0000 34522.6725 -149332.0636 301.4951 -183854.7361 -149239.8372 298.4367 140.1356 171.9551 557102.0898 -3.9611 -4.1315 PRESSURE: 3158400 -71.2655 -34.4625 68.0891 -34.4633 -167.98 149.969 68.0899 149.969 -46.187 GPRESSURE: 3158400 -33.8356 -39.8281 -49.4018 -43.3942 -154.844 183.707 151.741 220.712 5.22899 PRESSAVG: 3158400 54.0722 -20.4102 15.6456 -20.4102 -74.8702 -22.7932 15.6457 -22.7932 -35.417 GPRESSAVG: 3158400 53.8087 -19.7155 16.6634 -21.9093 -74.9421 -25.0221 12.704 -21.2328 -35.5812 TIMING: 3158400 CPU: 9153.35, 0.00287556/step Wall: 9153.35, 0.00287556/step, 1.47101 hours remaining, 208.523438 MB of memory in use. ENERGY: 3158400 749.2355 2077.3948 1940.7965 106.8375 -206504.5767 17751.8901 0.0000 0.0000 34299.0730 -149579.3493 299.5423 -183878.4224 -149482.5484 299.1519 -95.1442 -61.1504 557193.9817 -18.7384 -18.9049 PRESSURE: 3158600 -42.0084 -145.138 -49.751 -145.138 -88.6598 -23.6255 -49.7518 -23.6261 -160.799 GPRESSURE: 3158600 -9.76678 -89.247 -31.3913 -91.9941 -87.5553 -39.3262 -53.4166 1.42762 -105.524 PRESSAVG: 3158600 67.7155 -70.8719 4.93451 -70.8719 -88.6115 23.9946 4.93432 23.9944 7.9286 GPRESSAVG: 3158600 66.8804 -72.4193 4.4992 -66.431 -88.3387 25.1224 8.39366 22.6143 7.80423 TIMING: 3158600 CPU: 9153.92, 0.00287722/step Wall: 9153.92, 0.00287722/step, 1.4717 hours remaining, 208.523438 MB of memory in use. ENERGY: 3158600 761.1746 2139.7780 1963.9270 110.5397 -206476.5340 17799.1072 0.0000 0.0000 34036.4639 -149665.5437 297.2489 -183702.0076 -149574.8294 297.4124 -97.1556 -67.6153 556976.7560 -4.3225 -4.5514 PRESSURE: 3158800 -395.596 -21.4732 0.846161 -21.4722 38.6343 145.2 0.846819 145.199 -148.868 GPRESSURE: 3158800 -294.991 -32.5814 43.652 -67.0043 4.82027 175.445 -20.8114 8.42581 -125.059 PRESSAVG: 3158800 53.35 -5.19578 -48.7052 -5.19576 20.5567 -0.781432 -48.7052 -0.781354 -51.5531 GPRESSAVG: 3158800 53.1971 -5.66321 -48.5002 -8.97415 21.7331 -1.05279 -47.5242 -1.75877 -52.4961 TIMING: 3158800 CPU: 9154.5, 0.00288154/step Wall: 9154.5, 0.00288154/step, 1.47375 hours remaining, 208.523438 MB of memory in use. ENERGY: 3158800 758.5153 2078.7353 1949.0667 113.3678 -206271.5150 17629.3522 0.0000 0.0000 34100.5153 -149641.9622 297.8083 -183742.4775 -149550.7161 297.7343 -168.6098 -138.4099 557755.6759 7.4512 7.4780 PRESSURE: 3159000 231.95 27.7046 75.6798 27.7047 61.4395 48.2831 75.6796 48.2833 77.351 GPRESSURE: 3159000 277.081 43.8565 87.479 51.3348 70.8278 -1.88689 55.4335 59.4174 107.844 PRESSAVG: 3159000 26.1702 -42.1662 36.6047 -42.1661 -49.0776 54.4458 36.6046 54.4458 20.9832 GPRESSAVG: 3159000 26.8437 -41.2636 37.6123 -39.0175 -50.174 55.4793 32.2711 56.1057 21.4112 TIMING: 3159000 CPU: 9155.08, 0.00288183/step Wall: 9155.08, 0.00288183/step, 1.47374 hours remaining, 208.523438 MB of memory in use. ENERGY: 3159000 722.8099 2100.0975 1931.0578 111.4706 -206744.1922 18038.7326 0.0000 0.0000 34189.8936 -149650.1303 298.5888 -183840.0239 -149552.1185 298.7915 123.5800 151.9173 556791.3136 -0.6414 -0.6397 PRESSURE: 3159200 -43.236 154.589 -95.3993 154.589 25.105 -92.7574 -95.3988 -92.7571 9.54653 GPRESSURE: 3159200 -15.7094 75.9492 -77.3317 265.275 107.843 -147.847 -43.2421 -40.5691 -15.2415 PRESSAVG: 3159200 19.3268 -21.6635 -11.5793 -21.6635 1.45081 -12.2054 -11.5793 -12.2054 -16.8952 GPRESSAVG: 3159200 19.5371 -22.3669 -13.5663 -23.4646 0.786703 -12.5463 -9.1455 -12.7073 -16.863 TIMING: 3159200 CPU: 9155.65, 0.00287723/step Wall: 9155.65, 0.00287723/step, 1.47122 hours remaining, 208.523438 MB of memory in use. ENERGY: 3159200 775.7326 2085.0531 1931.7201 109.2757 -206685.5917 17949.5349 0.0000 0.0000 34168.4668 -149665.8085 298.4017 -183834.2753 -149568.9489 297.7327 -2.8615 25.6307 557558.1988 1.2941 1.1536 PRESSURE: 3159400 -88.4525 -52.2031 -191.133 -52.2035 45.7036 -70.6658 -191.133 -70.6652 161.896 GPRESSURE: 3159400 -15.8583 -73.3643 -114.71 -18.3386 50.388 -52.5844 -230.673 -61.5433 187.637 PRESSAVG: 3159400 -22.6014 -7.25526 -64.0536 -7.25517 36.4982 20.4056 -64.0536 20.4056 -5.24655 GPRESSAVG: 3159400 -23.5016 -8.04344 -61.9986 -5.44106 37.3919 20.7119 -64.8106 19.388 -5.19811 TIMING: 3159400 CPU: 9156.22, 0.00286955/step Wall: 9156.22, 0.00286955/step, 1.46713 hours remaining, 208.523438 MB of memory in use. ENERGY: 3159400 785.4774 2086.3201 1957.6465 115.6380 -206712.1814 18164.6469 0.0000 0.0000 33941.2648 -149661.1878 296.4175 -183602.4525 -149563.1678 297.9445 39.7158 74.0557 556944.8155 2.8834 2.8974 PRESSURE: 3159600 -125.835 63.759 74.4196 63.7607 191.363 -142.122 74.4202 -142.122 -25.1596 GPRESSURE: 3159600 -47.5689 110.23 149.258 26.8273 191.229 -126.235 55.3974 -113.718 -23.1216 PRESSAVG: 3159600 -19.2761 35.9978 -14.5295 35.9978 30.3774 -26.6781 -14.5297 -26.6781 4.67915 GPRESSAVG: 3159600 -19.9878 37.1461 -14.553 34.1349 30.6217 -26.5426 -13.6089 -27.1744 5.08434 TIMING: 3159600 CPU: 9156.81, 0.00290535/step Wall: 9156.81, 0.00290535/step, 1.48528 hours remaining, 208.726562 MB of memory in use. ENERGY: 3159600 739.5591 2099.2108 1955.1818 103.8801 -206412.1915 17902.1990 0.0000 0.0000 33983.0418 -149629.1188 296.7824 -183612.1606 -149526.2199 297.8248 13.4564 40.1794 556260.1736 5.2602 5.2394 PRESSURE: 3159800 -167.944 265.164 0.147009 265.165 -181.176 -77.4975 0.146741 -77.4949 116.959 GPRESSURE: 3159800 -141.673 251.459 58.5267 180.855 -170.885 -62.2794 -5.24086 -75.913 180.026 PRESSAVG: 3159800 23.3597 30.2306 -20.3071 30.2307 11.7854 -57.6803 -20.3071 -57.6803 -34.6537 GPRESSAVG: 3159800 23.6693 29.1027 -21.6542 29.5848 11.1551 -60.1665 -20.7192 -57.1563 -34.4947 TIMING: 3159800 CPU: 9157.38, 0.00289594/step Wall: 9157.38, 0.00289594/step, 1.48031 hours remaining, 208.726562 MB of memory in use. ENERGY: 3159800 744.2711 2083.3876 1947.1118 123.4547 -206490.1235 17845.9244 0.0000 0.0000 34110.8446 -149635.1292 297.8985 -183745.9739 -149542.1737 297.4804 -77.3871 -44.1771 559040.5793 0.1638 0.1099 PRESSURE: 3160000 -208.974 153.101 27.9379 153.102 81.6815 188.694 27.9374 188.695 38.1221 GPRESSURE: 3160000 -178.996 147.487 102.237 161.271 108.449 185.172 -48.2635 83.5105 78.4412 PRESSAVG: 3160000 15.3435 39.019 1.6339 39.0189 4.57233 23.2866 1.63398 23.2867 -36.2574 GPRESSAVG: 3160000 15.9162 40.9445 2.08563 39.9838 4.65981 26.0898 -0.285811 22.9168 -36.542 TIMING: 3160000 CPU: 9157.96, 0.00289674/step Wall: 9157.96, 0.00289674/step, 1.48055 hours remaining, 208.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3160000 732.1124 2057.6333 1949.8624 109.1390 -206284.3424 17801.4465 0.0000 0.0000 34115.8231 -149518.3257 297.9420 -183634.1488 -149420.4333 298.0141 -29.7235 2.6316 559263.9073 -5.4472 -5.3220 PRESSURE: 3160200 -10.7354 97.7274 -31.7139 97.728 45.89 -21.7708 -31.7143 -21.7701 -300.724 GPRESSURE: 3160200 6.92272 217.112 12.7096 99.2676 57.4919 53.5317 -19.1675 -78.2574 -246.783 PRESSAVG: 3160200 -19.2804 79.099 19.3615 79.0989 1.52135 21.8395 19.3614 21.8395 8.08127 GPRESSAVG: 3160200 -21.0696 80.4998 20.244 77.4073 1.24261 20.1192 19.463 24.3223 9.52661 TIMING: 3160200 CPU: 9158.54, 0.00288716/step Wall: 9158.54, 0.00288716/step, 1.4755 hours remaining, 208.726562 MB of memory in use. ENERGY: 3160200 772.4580 2124.1632 1954.8163 115.0350 -206226.3745 17739.3196 0.0000 0.0000 33926.1695 -149594.4130 296.2857 -183520.5824 -149494.7062 298.3392 -88.5230 -60.7895 556739.7359 -3.2259 -3.4335 LDB: ============= START OF LOAD BALANCING ============== 9161.93 LDB: ============== END OF LOAD BALANCING =============== 9161.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9161.93 LDB: ============= START OF LOAD BALANCING ============== 9162.22 LDB: Largest compute 4801 load 0.021194 is 18.0% of average load 0.118008 LDB: Average compute 0.001728 is 1.5% of average load 0.118008 LDB: TIME 9162.22 LOAD: AVG 0.118008 MAX 0.178624 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.32 MB LDB: TIME 9162.22 LOAD: AVG 0.118008 MAX 0.178624 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.352 MB LDB: TIME 9162.22 LOAD: AVG 0.118008 MAX 0.178624 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.352 MB LDB: ============== END OF LOAD BALANCING =============== 9162.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9162.23 PRESSURE: 3160400 92.7831 -65.6203 97.568 -65.6214 -228.719 110.532 97.5666 110.533 -233.763 GPRESSURE: 3160400 95.5334 34.3184 -36.9078 -68.6246 -192.238 51.1734 109.874 193.453 -176.614 PRESSAVG: 3160400 41.2633 29.3223 10.2552 29.3222 -52.5211 -5.16714 10.2551 -5.1673 42.6597 GPRESSAVG: 3160400 42.908 30.0044 9.97319 29.2627 -53.0444 -3.02043 10.6784 -5.8363 41.6577 TIMING: 3160400 CPU: 9159.13, 0.00294376/step Wall: 9159.13, 0.00294376/step, 1.50426 hours remaining, 209.992188 MB of memory in use. ENERGY: 3160400 746.7033 2107.7581 1950.3780 100.9137 -206090.5903 17603.9865 0.0000 0.0000 33963.3075 -149617.5432 296.6100 -183580.8507 -149522.5591 297.4783 -123.2329 -91.1062 557154.4869 10.4673 10.5071 PRESSURE: 3160600 -250.048 135.772 26.8035 135.773 -157.245 30.2582 26.8025 30.259 -180.08 GPRESSURE: 3160600 -224.303 100.269 -76.9718 156.45 -145.336 -37.2249 205.937 69.3682 -115.368 PRESSAVG: 3160600 37.6024 -28.0536 -27.2948 -28.0537 20.3546 12.6083 -27.2948 12.6084 6.56451 GPRESSAVG: 3160600 37.8703 -30.6514 -26.8529 -26.9591 20.9312 9.93575 -27.0206 12.4594 5.98394 TIMING: 3160600 CPU: 9159.71, 0.00288792/step Wall: 9159.71, 0.00288792/step, 1.47557 hours remaining, 209.992188 MB of memory in use. ENERGY: 3160600 769.4729 2087.5626 1941.1394 114.6740 -206061.6889 17527.1417 0.0000 0.0000 34141.1608 -149480.5375 298.1632 -183621.6983 -149394.2119 297.7435 -195.7908 -161.6690 556606.5593 21.5072 21.5952 PRESSURE: 3160800 -77.8613 -69.0246 -9.83894 -69.025 1.53327 -88.8213 -9.83832 -88.8217 -127.704 GPRESSURE: 3160800 -27.3417 -84.9592 -52.9762 -29.6608 -6.76798 -96.6591 92.0346 -93.1236 -61.5479 PRESSAVG: 3160800 23.6221 -22.5122 12.4312 -22.5121 22.2788 50.7348 12.4312 50.7347 -18.0883 GPRESSAVG: 3160800 23.1275 -23.3755 9.39459 -22.2295 20.7357 52.6569 14.2835 48.2254 -16.0978 TIMING: 3160800 CPU: 9160.28, 0.00286709/step Wall: 9160.28, 0.00286709/step, 1.46476 hours remaining, 209.992188 MB of memory in use. ENERGY: 3160800 750.3008 2128.6814 1942.1686 118.1699 -206624.8370 17895.2075 0.0000 0.0000 34097.8336 -149692.4753 297.7849 -183790.3089 -149601.9512 298.0550 -68.0106 -31.8859 557370.7657 9.2709 9.2551 PRESSURE: 3161000 206.452 142.99 94.3671 142.991 -116.514 -37.1247 94.3676 -37.1256 -160.692 GPRESSURE: 3161000 269.809 74.7599 62.7678 193.83 -75.3542 -21.5748 124.63 -79.1819 -163.424 PRESSAVG: 3161000 41.7351 -18.8778 -11.4583 -18.8779 8.69808 37.2284 -11.4583 37.2284 -32.2818 GPRESSAVG: 3161000 42.6944 -15.0655 -9.6597 -21.9397 10.1135 36.5613 -12.4357 38.3083 -35.2667 TIMING: 3161000 CPU: 9160.86, 0.00288122/step Wall: 9160.86, 0.00288122/step, 1.47182 hours remaining, 209.992188 MB of memory in use. ENERGY: 3161000 720.2817 2082.9343 1966.2607 105.7826 -206360.1943 17999.9981 0.0000 0.0000 33878.6224 -149606.3144 295.8704 -183484.9368 -149514.5145 297.5548 -23.5849 10.3436 557211.8427 6.0504 5.8471 PRESSURE: 3161200 39.1531 31.5349 135.059 31.5334 277.962 121.244 135.06 121.244 -147.213 GPRESSURE: 3161200 77.5503 17.5548 129.84 10.1605 311.312 129.248 79.9153 -91.5896 -114.024 PRESSAVG: 3161200 29.5501 13.9028 51.3217 13.9027 0.865525 19.9315 51.3217 19.9315 -18.3154 GPRESSAVG: 3161200 27.9995 11.8909 50.4982 17.7302 0.852979 20.0568 51.2369 20.7222 -17.0352 TIMING: 3161200 CPU: 9161.44, 0.002898/step Wall: 9161.44, 0.002898/step, 1.48024 hours remaining, 209.992188 MB of memory in use. ENERGY: 3161200 730.7102 2092.1265 1984.8926 119.8294 -206656.8415 17903.2085 0.0000 0.0000 34203.7075 -149622.3666 298.7095 -183826.0741 -149533.7733 298.5763 56.6339 91.6127 556874.2307 4.0334 3.9391 PRESSURE: 3161400 -92.2346 -153.44 80.4084 -153.439 -107.177 -109.428 80.4086 -109.427 -126.109 GPRESSURE: 3161400 -43.7793 -90.5282 129.711 -163.236 -87.1172 -78.8171 76.2762 -104.923 -87.9426 PRESSAVG: 3161400 -1.7904 13.9639 43.7436 13.9639 42.1537 88.2029 43.7436 88.2027 -11.2963 GPRESSAVG: 3161400 -1.6902 13.7098 45.403 13.4381 41.6534 86.673 42.2255 89.4881 -11.4958 TIMING: 3161400 CPU: 9162.02, 0.00290131/step Wall: 9162.02, 0.0029013/step, 1.48176 hours remaining, 209.992188 MB of memory in use. ENERGY: 3161400 760.3877 2098.7435 1946.3760 115.3805 -206379.7124 17812.1656 0.0000 0.0000 33871.3189 -149775.3403 295.8067 -183646.6592 -149673.0013 297.7954 -108.5066 -72.9464 557690.1849 9.6890 9.4891 PRESSURE: 3161600 62.6289 -35.9401 9.54568 -35.9381 3.46591 98.9907 9.54444 98.9913 -178.998 GPRESSURE: 3161600 83.8196 -88.5047 -35.6044 -77.1154 31.1334 111.664 4.67798 99.0634 -128.546 PRESSAVG: 3161600 11.8591 11.5823 28.8279 11.5822 -37.3439 4.1098 28.8279 4.10982 35.8431 GPRESSAVG: 3161600 12.0943 13.4831 27.4496 10.7858 -37.9132 6.53952 30.5005 0.672941 36.1631 TIMING: 3161600 CPU: 9162.6, 0.00290497/step Wall: 9162.6, 0.00290497/step, 1.48347 hours remaining, 209.992188 MB of memory in use. ENERGY: 3161600 725.8017 2046.9423 1977.5459 114.6671 -206927.8556 18093.9604 0.0000 0.0000 34187.5278 -149781.4104 298.5682 -183968.9382 -149684.6606 297.6159 -37.6343 -4.5310 556711.9631 3.4528 3.4481 PRESSURE: 3161800 251.576 -119.336 -16.0051 -119.336 139.134 -9.10521 -16.0066 -9.10386 -180.885 GPRESSURE: 3161800 247.955 -173.627 10.7477 -144.424 198.255 90.8165 -100.241 -22.9075 -133.5 PRESSAVG: 3161800 -16.4517 14.7298 5.30268 14.7299 -48.2021 1.12157 5.30272 1.12157 78.2032 GPRESSAVG: 3161800 -15.4836 14.1708 5.01709 12.5544 -48.4003 0.615047 5.51188 3.00308 77.7995 TIMING: 3161800 CPU: 9163.18, 0.00289971/step Wall: 9163.18, 0.00289971/step, 1.48062 hours remaining, 209.992188 MB of memory in use. ENERGY: 3161800 735.6527 2111.9383 1956.1811 109.5162 -206510.8721 17828.2648 0.0000 0.0000 34112.2470 -149657.0721 297.9107 -183769.3190 -149561.0002 298.0607 69.9419 104.2366 556159.6208 4.5165 4.6385 PRESSURE: 3162000 64.336 -41.84 -57.2062 -41.8399 195.415 -95.1889 -57.2064 -95.1895 -54.5845 GPRESSURE: 3162000 89.3622 -45.0052 -103.439 -0.589151 220.47 -141.363 -54.0623 -103.705 -19.256 PRESSAVG: 3162000 4.08845 -62.2607 -58.5726 -62.2607 15.2364 5.85143 -58.5726 5.85135 -11.1892 GPRESSAVG: 3162000 3.93345 -63.5459 -56.5211 -60.8733 16.2298 5.84104 -59.0451 5.70112 -12.0164 TIMING: 3162000 CPU: 9163.75, 0.00288245/step Wall: 9163.75, 0.00288245/step, 1.47165 hours remaining, 209.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3162000 760.0830 2121.2461 1946.6304 119.1904 -206601.8968 17888.8555 0.0000 0.0000 34167.1136 -149598.7778 298.3899 -183765.8914 -149501.0930 298.1659 68.3888 96.8588 556298.5696 2.7119 2.7156 PRESSURE: 3162200 -36.2362 177.239 28.7827 177.24 -121.869 33.9794 28.7824 33.9795 -123.631 GPRESSURE: 3162200 9.66507 167.892 11.7881 203.368 -78.7995 62.4033 16.5816 10.3712 -124.163 PRESSAVG: 3162200 26.8854 -25.2321 -16.2006 -25.2321 42.6311 -28.5128 -16.2006 -28.5127 -47.2396 GPRESSAVG: 3162200 25.331 -24.5523 -19.3634 -25.3394 42.3973 -28.6504 -14.7584 -28.6447 -45.183 TIMING: 3162200 CPU: 9164.32, 0.00284869/step Wall: 9164.32, 0.00284869/step, 1.45425 hours remaining, 209.992188 MB of memory in use. ENERGY: 3162200 745.7299 2022.5212 1981.2960 114.9600 -206316.3476 17893.2328 0.0000 0.0000 34065.3544 -149493.2533 297.5012 -183558.6077 -149401.1603 297.9901 -93.9118 -64.4325 558376.0205 7.4256 7.5151 PRESSURE: 3162400 -14.4525 -46.8608 -207.632 -46.8604 -177.558 -168.831 -207.632 -168.83 193.915 GPRESSURE: 3162400 38.9536 -87.6296 -143.08 -56.3306 -145.147 -212.303 -147.643 -141.301 194.877 PRESSAVG: 3162400 -4.91174 -9.73067 -47.0471 -9.73059 -18.2247 -58.7443 -47.0471 -58.7443 7.34342 GPRESSAVG: 3162400 -3.55651 -9.43808 -43.4369 -9.70281 -18.8747 -60.4608 -49.3332 -56.5229 6.28188 TIMING: 3162400 CPU: 9164.9, 0.00285388/step Wall: 9164.9, 0.00285388/step, 1.45674 hours remaining, 209.992188 MB of memory in use. ENERGY: 3162400 750.5443 2036.2414 1967.5673 117.2234 -206223.2976 17854.1930 0.0000 0.0000 34183.7729 -149313.7554 298.5354 -183497.5283 -149233.5620 298.1520 0.6347 29.5611 556557.7136 -5.2644 -5.3831 PRESSURE: 3162600 -97.0006 71.2104 -35.3505 71.2096 32.4427 110.706 -35.3501 110.706 -163.876 GPRESSURE: 3162600 -52.3771 79.5367 11.4485 43.4447 73.3484 135.652 -32.1705 129.341 -151.63 PRESSAVG: 3162600 -7.40005 -2.01804 -16.585 -2.01815 -18.3132 12.9499 -16.585 12.9498 43.5265 GPRESSAVG: 3162600 -7.19229 -2.3404 -16.9406 -2.30177 -17.8759 13.4724 -16.5648 11.6649 42.7237 TIMING: 3162600 CPU: 9165.47, 0.00286772/step Wall: 9165.47, 0.00286772/step, 1.46365 hours remaining, 209.992188 MB of memory in use. ENERGY: 3162600 820.1638 2087.9524 1954.5223 109.9121 -206092.9448 17762.6801 0.0000 0.0000 34055.9514 -149301.7628 297.4191 -183357.7142 -149206.1334 299.4175 -76.1445 -43.5528 557781.0335 5.9377 5.8852 PRESSURE: 3162800 54.1254 -21.4931 53.5026 -21.4934 -94.7052 -173.567 53.5028 -173.566 -168.739 GPRESSURE: 3162800 57.8441 -120.116 93.3524 -71.0566 -54.5343 -234.172 88.4951 -102.646 -109.824 PRESSAVG: 3162800 -9.71743 4.74404 21.9491 4.74399 -34.0395 -18.0774 21.9492 -18.0774 26.7288 GPRESSAVG: 3162800 -11.1492 3.52354 20.1589 6.47405 -33.1108 -17.7229 22.8171 -18.6465 27.2595 TIMING: 3162800 CPU: 9166.04, 0.00287299/step Wall: 9166.04, 0.00287299/step, 1.46618 hours remaining, 210.214844 MB of memory in use. ENERGY: 3162800 743.1844 2050.7704 1941.1794 121.2929 -206408.1745 17933.4366 0.0000 0.0000 34400.6417 -149217.6689 300.4294 -183618.3107 -149126.5873 299.6746 -69.7731 -35.5046 558138.8296 -5.6760 -5.6669 PRESSURE: 3163000 7.82356 -100.261 -96.6873 -100.261 -250.607 77.1181 -96.6893 77.1186 -138.651 GPRESSURE: 3163000 83.8543 -106.527 -21.6604 -109.578 -260.524 14.0012 -153.48 88.4225 -94.0534 PRESSAVG: 3163000 69.3702 41.3295 -16.1431 41.3294 -36.3266 29.5187 -16.1431 29.5188 16.3444 GPRESSAVG: 3163000 70.6127 41.2309 -14.1347 42.273 -37.2231 28.7391 -16.9617 29.6548 15.6194 TIMING: 3163000 CPU: 9166.62, 0.0028948/step Wall: 9166.62, 0.0028948/step, 1.47715 hours remaining, 210.214844 MB of memory in use. ENERGY: 3163000 778.7697 2056.8484 1948.7812 129.3174 -206488.7234 17769.8690 0.0000 0.0000 34472.1734 -149332.9644 301.0541 -183805.1378 -149242.7617 299.1043 -127.1450 -90.2410 557471.0677 16.4627 16.3363 PRESSURE: 3163200 -222.223 -30.1 -90.741 -30.0995 -43.5114 54.7195 -90.741 54.7205 -330.15 GPRESSURE: 3163200 -170.559 79.0212 -89.4866 -144.896 -17.7917 134.623 -138.214 -7.54556 -318.029 PRESSAVG: 3163200 -3.12288 12.3477 -21.4664 12.3477 -17.5062 1.64206 -21.4665 1.64212 3.85931 GPRESSAVG: 3163200 -3.88406 11.9373 -20.9346 11.7414 -17.1369 3.67617 -22.6554 1.43461 4.19868 TIMING: 3163200 CPU: 9167.19, 0.00286072/step Wall: 9167.19, 0.00286072/step, 1.4596 hours remaining, 210.214844 MB of memory in use. ENERGY: 3163200 732.6293 2093.3833 1957.1278 110.4640 -206639.0597 17875.4054 0.0000 0.0000 34342.4169 -149527.6330 299.9209 -183870.0499 -149423.7859 298.3885 -198.6282 -168.7932 557989.5854 -5.5899 -5.6074 PRESSURE: 3163400 -42.4715 133.849 -17.4039 133.848 -345.919 -45.8268 -17.4045 -45.8268 -148.62 GPRESSURE: 3163400 -71.5242 123.791 26.3466 105.929 -239.223 -38.7088 -70.0695 -14.3981 -125.104 PRESSAVG: 3163400 14.4226 17.006 -7.67859 17.006 30.4208 -4.57343 -7.67851 -4.57342 -33.1986 GPRESSAVG: 3163400 14.3456 18.4405 -8.93869 16.2632 30.6097 -5.39844 -6.99566 -4.81976 -33.3297 TIMING: 3163400 CPU: 9167.77, 0.00286612/step Wall: 9167.77, 0.00286612/step, 1.4622 hours remaining, 210.214844 MB of memory in use. ENERGY: 3163400 720.4995 2039.3501 1962.9256 99.9670 -205935.1295 17600.5238 0.0000 0.0000 34059.1334 -149452.7301 297.4469 -183511.8635 -149348.2825 298.9951 -179.0037 -145.2837 559899.1049 3.8816 3.8752 PRESSURE: 3163600 318.286 -92.4542 -171.207 -92.4539 -190.357 92.1876 -171.206 92.1872 96.7518 GPRESSURE: 3163600 273.09 -47.2824 -205.724 -179.399 -118.757 -28.6142 -142.462 184.216 157.131 PRESSAVG: 3163600 5.92096 55.9854 -68.795 55.9854 -71.5383 2.02703 -68.7949 2.02703 89.8108 GPRESSAVG: 3163600 4.64056 55.9847 -69.1035 55.1116 -71.4496 2.11578 -68.5758 2.5598 90.7324 TIMING: 3163600 CPU: 9168.34, 0.00287769/step Wall: 9168.34, 0.00287769/step, 1.46794 hours remaining, 210.214844 MB of memory in use. ENERGY: 3163600 730.1677 2083.3178 1957.7953 106.1856 -206493.1129 17990.8394 0.0000 0.0000 34210.9632 -149413.8440 298.7729 -183624.8071 -149323.1381 298.3969 74.8934 103.8215 558684.4105 8.0645 7.9744 PRESSURE: 3163800 -175.862 5.55622 -129.172 5.55595 -114.171 -53.0318 -129.171 -53.0318 152.864 GPRESSURE: 3163800 -122.957 -64.1614 -150.008 32.588 -65.0119 -137.901 -65.1889 -43.8596 149.852 PRESSAVG: 3163800 4.02476 33.0667 13.5266 33.0666 -2.01993 -93.6899 13.5265 -93.6899 41.1377 GPRESSAVG: 3163800 4.70337 32.3944 14.2432 32.2628 -1.17742 -94.019 13.1789 -94.6607 39.7188 TIMING: 3163800 CPU: 9168.92, 0.00287872/step Wall: 9168.92, 0.00287872/step, 1.46831 hours remaining, 210.214844 MB of memory in use. ENERGY: 3163800 747.3305 2067.2586 1967.6331 111.5849 -206089.5778 17722.7896 0.0000 0.0000 34078.4513 -149394.5300 297.6156 -183472.9812 -149298.0322 298.6384 -45.7232 -12.7058 559765.3733 14.3809 14.4149 PRESSURE: 3164000 -119.051 37.2215 50.7961 37.2222 -330.594 -52.6964 50.7967 -52.6962 -404.697 GPRESSURE: 3164000 -109.134 5.91204 50.1151 9.15738 -300.322 -47.5902 75.6538 -8.93332 -351.376 PRESSAVG: 3164000 -6.34303 -13.1635 14.5931 -13.1636 -3.71263 18.3908 14.5931 18.3908 51.0631 GPRESSAVG: 3164000 -5.98603 -13.254 13.9347 -11.4789 -5.92562 18.7753 14.058 18.8974 52.6863 TIMING: 3164000 CPU: 9169.5, 0.00289091/step Wall: 9169.5, 0.00289091/step, 1.47436 hours remaining, 210.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3164000 771.6266 2056.9907 1957.9472 127.8324 -205587.0524 17358.8584 0.0000 0.0000 34148.8428 -149164.9543 298.2303 -183313.7971 -149066.1537 299.1655 -284.7806 -253.6108 559766.0511 13.6692 13.5916 PRESSURE: 3164200 -60.3455 -28.2123 -85.3124 -28.2106 -79.8282 -33.9953 -85.3125 -33.996 49.4328 GPRESSURE: 3164200 -55.8569 -135.355 -61.6924 -9.4036 -66.9836 -14.3848 30.1322 -21.3931 118.584 PRESSAVG: 3164200 -29.3529 12.3898 39.7449 12.3898 -16.8507 25.7328 39.745 25.7327 31.3034 GPRESSAVG: 3164200 -28.941 12.0581 38.7277 14.1225 -16.3192 23.5759 41.6543 26.8097 29.8459 TIMING: 3164200 CPU: 9170.07, 0.00286286/step Wall: 9170.07, 0.00286286/step, 1.4599 hours remaining, 210.214844 MB of memory in use. ENERGY: 3164200 767.9589 2106.8633 1939.7209 114.2873 -206332.7691 17888.6162 0.0000 0.0000 34371.7650 -149143.5573 300.1772 -183515.3223 -149047.1427 298.8041 -30.2469 -1.4190 558358.1802 -4.9667 -5.1381 LDB: ============= START OF LOAD BALANCING ============== 9173.45 LDB: ============== END OF LOAD BALANCING =============== 9173.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9173.46 LDB: ============= START OF LOAD BALANCING ============== 9173.75 LDB: Largest compute 4801 load 0.021063 is 17.9% of average load 0.117896 LDB: Average compute 0.001742 is 1.5% of average load 0.117896 LDB: TIME 9173.75 LOAD: AVG 0.117896 MAX 0.178497 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.375 MB LDB: TIME 9173.75 LOAD: AVG 0.117896 MAX 0.178497 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.375 MB LDB: TIME 9173.75 LOAD: AVG 0.117896 MAX 0.178497 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.375 MB LDB: ============== END OF LOAD BALANCING =============== 9173.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9173.75 PRESSURE: 3164400 238.808 205.521 -163.501 205.522 126.993 -161.107 -163.501 -161.106 264.552 GPRESSURE: 3164400 270.062 201.476 -85.8959 242.963 192.973 -189.392 -168.96 -131.208 271.948 PRESSAVG: 3164400 36.2792 -54.2375 27.4519 -54.2374 -21.8118 -6.36136 27.4517 -6.36146 -40.3798 GPRESSAVG: 3164400 37.0781 -52.4845 27.7444 -56.6573 -21.7973 -3.78979 27.1931 -7.57151 -40.659 TIMING: 3164400 CPU: 9170.66, 0.00294552/step Wall: 9170.66, 0.00294552/step, 1.50189 hours remaining, 210.398438 MB of memory in use. ENERGY: 3164400 765.0126 2114.9441 1965.3873 118.7812 -206288.9571 18066.8680 0.0000 0.0000 34425.2042 -148832.7597 300.6439 -183257.9639 -148736.9370 299.8215 210.1176 244.9943 557261.5940 -8.6375 -8.4594 PRESSURE: 3164600 -62.1146 -191.199 -172.42 -191.199 -72.7338 45.8064 -172.419 45.808 -248.578 GPRESSURE: 3164600 -46.0413 -193.765 -260.473 -161.934 -31.5878 53.9523 -144.198 48.7859 -221.138 PRESSAVG: 3164600 -21.9623 -15.9195 -30.24 -15.9195 17.2723 -1.47802 -30.24 -1.47806 32.2291 GPRESSAVG: 3164600 -22.7278 -16.7205 -29.9637 -13.7051 17.6074 -2.17898 -28.9799 -2.79304 32.2456 TIMING: 3164600 CPU: 9171.23, 0.00287569/step Wall: 9171.23, 0.00287569/step, 1.46612 hours remaining, 210.601562 MB of memory in use. ENERGY: 3164600 770.9149 2091.4261 1972.7476 118.3879 -205855.0204 17562.8636 0.0000 0.0000 34347.0708 -148991.6094 299.9615 -183338.6803 -148892.0596 299.9549 -127.8087 -99.5890 558543.1061 9.1797 9.0417 PRESSURE: 3164800 112.797 61.7779 -11.0529 61.778 310.342 46.696 -11.0521 46.6956 36.7578 GPRESSURE: 3164800 124.284 -53.9006 -89.6497 168.003 341.823 -21.8783 89.62 69.1541 89.8495 PRESSAVG: 3164800 42.8147 -32.35 -8.19218 -32.35 -6.50001 -34.6307 -8.19222 -34.6308 -41.9176 GPRESSAVG: 3164800 41.7152 -34.0795 -7.6171 -31.7739 -7.09164 -36.3285 -10.2146 -33.0921 -40.4566 TIMING: 3164800 CPU: 9171.81, 0.0028802/step Wall: 9171.81, 0.0028802/step, 1.46826 hours remaining, 210.601562 MB of memory in use. ENERGY: 3164800 727.3145 2092.3633 1988.9304 127.5555 -206279.9610 17976.5900 0.0000 0.0000 34436.2610 -148930.9462 300.7404 -183367.2072 -148829.3981 299.6678 153.2989 185.3189 557669.3366 -1.8676 -1.9443 PRESSURE: 3165000 -39.6083 128.975 -3.10232 128.975 -109.105 -56.9658 -3.10271 -56.9665 52.2157 GPRESSURE: 3165000 -3.17584 193.115 9.22208 8.4 -82.1324 -67.9823 -98.0682 -138.536 81.4496 PRESSAVG: 3165000 38.2917 44.9383 8.35735 44.9383 11.436 -34.9814 8.35734 -34.9814 -36.4248 GPRESSAVG: 3165000 38.7329 47.2795 7.86941 41.2262 12.0026 -34.0829 8.51184 -34.6003 -37.4474 TIMING: 3165000 CPU: 9172.39, 0.00287558/step Wall: 9172.39, 0.00287558/step, 1.46575 hours remaining, 210.601562 MB of memory in use. ENERGY: 3165000 755.9505 2114.4864 1968.0293 120.5990 -206106.2005 17715.4206 0.0000 0.0000 34446.7580 -148984.9567 300.8321 -183431.7147 -148884.9404 299.6780 -32.1657 -1.2862 557869.5190 4.4343 4.4294 PRESSURE: 3165200 8.14981 -94.3239 -113.608 -94.3248 -167.981 18.4303 -113.608 18.4318 25.2509 GPRESSURE: 3165200 48.7443 4.77154 -68.9235 -108.675 -112.533 16.2864 -78.2979 -13.4063 28.48 PRESSAVG: 3165200 14.1907 22.5813 -11.0451 22.5812 5.82742 -30.7793 -11.045 -30.7793 -36.1913 GPRESSAVG: 3165200 14.9547 24.0645 -9.17893 23.2966 5.80042 -32.6212 -12.0973 -30.2459 -36.4983 TIMING: 3165200 CPU: 9172.96, 0.00288568/step Wall: 9172.96, 0.00288568/step, 1.47073 hours remaining, 210.601562 MB of memory in use. ENERGY: 3165200 724.7250 2108.5587 1936.0207 123.5154 -206114.7503 17667.6252 0.0000 0.0000 34334.8705 -149219.4349 299.8550 -183554.3053 -149121.8350 299.8228 -44.8602 -11.7696 556308.1507 -5.3911 -5.2477 PRESSURE: 3165400 -146.014 -4.67614 50.768 -4.67518 69.7254 -34.4271 50.7695 -34.4269 116.691 GPRESSURE: 3165400 -156.829 35.3612 59.1073 -83.334 170.16 -96.5287 7.25941 -80.9888 127.492 PRESSAVG: 3165400 25.9358 8.49093 28.2236 8.49101 4.73637 -12.0593 28.2237 -12.0594 -10.9298 GPRESSAVG: 3165400 24.7593 7.19631 25.2185 9.41038 5.02126 -9.37295 29.7258 -13.0679 -9.79382 TIMING: 3165400 CPU: 9173.54, 0.00286678/step Wall: 9173.54, 0.00286678/step, 1.46094 hours remaining, 210.601562 MB of memory in use. ENERGY: 3165400 738.1579 2167.0147 1960.8269 108.4798 -206063.2841 17717.3934 0.0000 0.0000 34273.1740 -149098.2373 299.3162 -183371.4113 -148996.1021 299.0446 13.4675 46.9411 556995.5180 6.5808 6.6622 PRESSURE: 3165600 70.6122 -87.247 63.23 -87.2478 141.971 -68.7277 63.2282 -68.7267 -4.70935 GPRESSURE: 3165600 121.797 -94.3719 151.947 -70.5927 156.706 -85.244 -24.1319 -57.6677 30.3977 PRESSAVG: 3165600 -5.55057 37.596 81.2164 37.5959 28.731 27.3111 81.2163 27.3111 -18.7881 GPRESSAVG: 3165600 -4.33628 36.9136 82.5703 40.0675 28.1819 25.0295 79.8699 28.5968 -19.9558 TIMING: 3165600 CPU: 9174.11, 0.00286844/step Wall: 9174.11, 0.00286844/step, 1.46163 hours remaining, 210.601562 MB of memory in use. ENERGY: 3165600 746.5992 2122.6765 1948.2924 122.0415 -206067.5723 17757.5243 0.0000 0.0000 34383.2406 -148987.1978 300.2774 -183370.4384 -148897.0717 299.5891 69.2911 102.9670 556496.0440 1.4641 1.2966 PRESSURE: 3165800 187.448 -79.8257 -122.836 -79.8256 38.0348 -120.08 -122.836 -120.08 368.895 GPRESSURE: 3165800 282.535 -85.9597 -151.641 -104.389 96.9479 -103.233 -168.243 -143.529 320.408 PRESSAVG: 3165800 70.6693 36.7255 24.2937 36.7255 31.3554 11.4111 24.2937 11.4111 -54.819 GPRESSAVG: 3165800 69.5356 39.3146 24.0106 33.9947 30.3906 12.0391 24.5891 10.5773 -52.7858 TIMING: 3165800 CPU: 9174.68, 0.00286426/step Wall: 9174.68, 0.00286426/step, 1.45934 hours remaining, 210.601562 MB of memory in use. ENERGY: 3165800 783.6670 2154.7214 1985.2589 114.9879 -206470.3455 18075.9696 0.0000 0.0000 34268.9255 -149086.8152 299.2790 -183355.7407 -148992.8552 299.8771 198.1259 233.2971 555244.3800 15.7352 15.7135 PRESSURE: 3166000 153.501 57.9144 46.5005 57.9142 -7.70362 61.5175 46.501 61.5179 229.379 GPRESSURE: 3166000 164.352 121.02 49.0359 4.22498 32.1521 2.12648 2.00641 94.1488 273.874 PRESSAVG: 3166000 43.492 27.2932 -8.32334 27.2932 -10.9622 25.0469 -8.32319 25.0469 -57.1206 GPRESSAVG: 3166000 42.753 25.4177 -9.19049 27.001 -8.75936 26.5029 -6.91807 23.2553 -58.5035 TIMING: 3166000 CPU: 9175.26, 0.00287908/step Wall: 9175.26, 0.00287908/step, 1.46673 hours remaining, 210.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3166000 759.4004 2118.7318 1937.5682 119.0869 -206338.3784 17832.4146 0.0000 0.0000 34575.1517 -148996.0246 301.9534 -183571.1763 -148900.8532 299.7232 125.0588 156.7927 557010.7525 -8.1969 -8.1700 PRESSURE: 3166200 85.7529 21.6297 15.4644 21.6305 166.491 -121.545 15.465 -121.544 -149.443 GPRESSURE: 3166200 137.587 -10.1835 73.9093 76.5709 146.033 -101.946 -38.2141 -175.302 -99.3362 PRESSAVG: 3166200 -38.4545 -59.8801 -2.17164 -59.8802 59.0301 -6.03538 -2.17157 -6.03533 21.7414 GPRESSAVG: 3166200 -37.2987 -59.8874 -0.681621 -59.2711 59.3667 -6.71553 -1.6645 -3.62769 20.9375 TIMING: 3166200 CPU: 9175.84, 0.00288527/step Wall: 9175.84, 0.00288527/step, 1.46972 hours remaining, 210.601562 MB of memory in use. ENERGY: 3166200 771.8315 2131.3286 1970.0103 115.8806 -206212.1549 17885.2481 0.0000 0.0000 34171.8006 -149166.0552 298.4308 -183337.8558 -149068.9415 299.9055 34.2671 61.4278 557911.6833 14.1057 14.3352 PRESSURE: 3166400 -418.419 71.7338 129.396 71.7341 -329.917 80.4613 129.397 80.4625 -270.199 GPRESSURE: 3166400 -365.806 48.0948 139.402 22.556 -340.023 11.804 111.169 63.3418 -217.305 PRESSAVG: 3166400 20.3322 -17.0257 -13.8615 -17.0257 -18.1369 16.7096 -13.8614 16.7098 6.74868 GPRESSAVG: 3166400 20.4974 -19.1039 -13.1984 -17.2309 -20.1585 15.421 -16.6943 17.0726 8.38454 TIMING: 3166400 CPU: 9176.41, 0.00287357/step Wall: 9176.41, 0.00287357/step, 1.4636 hours remaining, 210.601562 MB of memory in use. ENERGY: 3166400 752.8523 2159.2213 1957.7751 115.3840 -205744.9999 17278.9799 0.0000 0.0000 34329.6028 -149151.1845 299.8090 -183480.7873 -149057.1656 299.2220 -339.5119 -307.7115 558678.2574 2.9813 2.9078 PRESSURE: 3166600 -485.202 -84.4758 -214.885 -84.4745 -14.8151 106.906 -214.886 106.907 -104.984 GPRESSURE: 3166600 -451.765 -33.0023 -142.991 -29.9549 -17.7807 51.5664 -238.084 145.612 -42.4165 PRESSAVG: 3166600 9.97117 -23.2646 -25.1188 -23.2646 62.4322 28.9848 -25.1188 28.9848 -46.2113 GPRESSAVG: 3166600 8.5833 -23.2215 -26.5612 -22.4504 63.8249 29.6024 -22.332 28.0358 -46.343 TIMING: 3166600 CPU: 9176.98, 0.00286492/step Wall: 9176.98, 0.00286492/step, 1.45904 hours remaining, 210.601562 MB of memory in use. ENERGY: 3166600 774.2141 2121.2981 1972.5474 107.2733 -205853.3282 17418.5523 0.0000 0.0000 34297.3886 -149162.0545 299.5276 -183459.4431 -149068.9661 299.4271 -201.6672 -170.6541 558891.8311 8.7307 8.6884 PRESSURE: 3166800 -2.85954 118.917 65.2678 118.915 105.798 147.144 65.2677 147.147 -67.6015 GPRESSURE: 3166800 23.2813 89.9856 117.98 55.6622 133.925 142.336 58.9629 155.318 -25.2816 PRESSAVG: 3166800 -32.5474 1.44438 -31.8145 1.44439 70.4228 -30.1036 -31.8145 -30.1037 -15.4509 GPRESSAVG: 3166800 -31.9357 2.54061 -30.4171 0.834785 70.1161 -30.6096 -35.1893 -30.2591 -15.3787 TIMING: 3166800 CPU: 9177.56, 0.00289636/step Wall: 9177.56, 0.00289636/step, 1.47489 hours remaining, 210.601562 MB of memory in use. ENERGY: 3166800 710.6005 2109.6618 1953.3653 109.1279 -206393.4819 17811.2003 0.0000 0.0000 34469.0443 -149230.4818 301.0267 -183699.5261 -149129.9517 299.5152 11.7789 43.9750 557774.9367 7.4748 7.6005 PRESSURE: 3167000 -272.122 -47.6537 -184.402 -47.6541 -41.3003 -105.689 -184.404 -105.691 -14.0296 GPRESSURE: 3167000 -209.367 -85.2855 -78.8839 -94.4484 -9.84071 -31.9161 -170.172 -122.541 1.46084 PRESSAVG: 3167000 -6.02124 -11.9567 3.84026 -11.9567 -26.4087 10.9336 3.84032 10.9334 12.0171 GPRESSAVG: 3167000 -6.37773 -12.0268 3.37338 -11.9391 -25.766 12.6603 6.43789 9.30654 11.7117 TIMING: 3167000 CPU: 9178.14, 0.00290075/step Wall: 9178.14, 0.00290075/step, 1.47697 hours remaining, 210.601562 MB of memory in use. ENERGY: 3167000 762.4967 2095.5892 1948.3839 108.6165 -206172.8954 17599.9224 0.0000 0.0000 34240.3025 -149417.5843 299.0291 -183657.8868 -149313.3120 298.7838 -109.1508 -72.5823 557491.1355 -6.8043 -6.8107 PRESSURE: 3167200 -50.5511 118.063 -55.8411 118.063 -139.204 13.8944 -55.8413 13.8923 188.917 GPRESSURE: 3167200 4.06396 101.097 -62.5244 122.665 -127.552 -0.591243 -24.8409 45.182 204.088 PRESSAVG: 3167200 -12.7013 -14.7272 43.7944 -14.7273 -44.5645 22.2148 43.7944 22.2149 63.446 GPRESSAVG: 3167200 -12.3822 -15.2712 44.404 -14.1392 -45.2219 21.004 44.4282 25.9205 64.1646 TIMING: 3167200 CPU: 9178.72, 0.00291098/step Wall: 9178.72, 0.00291098/step, 1.48201 hours remaining, 210.601562 MB of memory in use. ENERGY: 3167200 753.0734 2110.0169 1977.5000 117.5467 -206435.4273 17954.2831 0.0000 0.0000 34078.7353 -149444.2719 297.6181 -183523.0071 -149349.8865 298.3229 -0.2794 26.8668 558487.9462 2.0601 2.1868 PRESSURE: 3167400 66.1158 -126.952 77.44 -126.952 -186.075 42.1353 77.439 42.1358 27.9577 GPRESSURE: 3167400 129.913 -100.253 1.69015 -86.6945 -122.594 33.4217 142.747 101.63 -0.582791 PRESSAVG: 3167400 51.9423 4.4349 81.1006 4.43491 -108.851 3.08303 81.1007 3.08301 29.6987 GPRESSAVG: 3167400 51.7837 5.04603 79.0987 3.80276 -108.512 2.36613 81.7777 2.31075 29.2513 TIMING: 3167400 CPU: 9179.3, 0.00288247/step Wall: 9179.3, 0.00288247/step, 1.46734 hours remaining, 210.601562 MB of memory in use. ENERGY: 3167400 764.9605 2109.0661 1980.7530 118.8824 -206542.1355 18021.5888 0.0000 0.0000 34223.3282 -149323.5565 298.8808 -183546.8847 -149235.7252 298.6510 -30.6672 2.2455 559013.9406 -9.0699 -9.1592 PRESSURE: 3167600 -85.4623 69.1298 -42.33 69.1303 189.263 203.499 -42.3295 203.499 -75.1873 GPRESSURE: 3167600 -35.7213 114.727 -70.2716 119.697 195.014 181.879 -51.7282 236.518 -29.6696 PRESSAVG: 3167600 17.6054 -22.9204 -0.871402 -22.9205 11.6982 -28.9509 -0.871434 -28.9509 -16.8943 GPRESSAVG: 3167600 17.8723 -22.6512 -1.42873 -22.6804 10.7104 -29.4406 -0.757872 -28.5692 -16.511 TIMING: 3167600 CPU: 9179.88, 0.00287075/step Wall: 9179.88, 0.00287075/step, 1.46121 hours remaining, 210.601562 MB of memory in use. ENERGY: 3167600 749.7295 2090.0570 1956.6697 102.4551 -206646.2028 18040.7429 0.0000 0.0000 34156.1865 -149550.3621 298.2945 -183706.5486 -149454.6220 298.8779 9.5377 43.2078 557066.5577 4.1364 4.0239 PRESSURE: 3167800 208.491 -95.7899 52.4284 -95.7888 -105.765 85.3083 52.429 85.3076 -56.7145 GPRESSURE: 3167800 211.354 -92.5318 44.8957 -137.973 -32.1807 132.932 29.1126 131.76 -50.6456 PRESSAVG: 3167800 -30.5324 -38.9603 57.0386 -38.9602 41.3684 13.1704 57.0386 13.1705 -5.16201 GPRESSAVG: 3167800 -32.0716 -39.6209 56.85 -37.8812 42.484 16.1846 57.4567 11.2392 -5.08923 TIMING: 3167800 CPU: 9180.45, 0.00288486/step Wall: 9180.45, 0.00288486/step, 1.46823 hours remaining, 210.601562 MB of memory in use. ENERGY: 3167800 761.4088 2097.4782 1956.5229 103.0701 -206772.2207 17890.4154 0.0000 0.0000 34262.6532 -149700.6721 299.2243 -183963.3253 -149604.3294 298.4980 15.3373 42.8427 555873.4826 1.8913 1.7744 PRESSURE: 3168000 -1.81685 -116.176 -80.6826 -116.176 50.9575 -10.8498 -80.6824 -10.8494 128.852 GPRESSURE: 3168000 63.1132 -101.742 -16.3103 -124.599 64.3233 -52.9009 -142.417 15.8936 144.342 PRESSAVG: 3168000 -50.5253 -4.25209 30.2488 -4.25213 11.0844 36.3218 30.2488 36.3217 -22.0914 GPRESSAVG: 3168000 -49.6904 -3.71458 33.0675 -4.12116 9.47503 33.7837 28.1678 36.1901 -21.3237 TIMING: 3168000 CPU: 9181.02, 0.00286335/step Wall: 9181.02, 0.00286335/step, 1.45713 hours remaining, 210.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3168000 735.7893 2087.2268 1954.8459 108.5946 -206588.8051 18123.0354 0.0000 0.0000 34112.1912 -149467.1219 297.9102 -183579.3131 -149375.3436 299.1676 59.3309 90.5929 556355.8164 -20.5108 -20.5130 PRESSURE: 3168200 115.008 -40.4026 -128.838 -40.4036 -98.34 -77.0132 -128.838 -77.0133 6.80625 GPRESSURE: 3168200 174.956 -50.1455 -259.492 -9.34206 -77.4363 -183.414 -113.348 22.0113 12.2049 PRESSAVG: 3168200 22.5862 -12.13 10.5158 -12.1299 -29.6119 2.6655 10.5157 2.66546 5.2592 GPRESSAVG: 3168200 22.7755 -12.1139 9.15573 -12.0931 -29.3354 3.21627 12.7113 4.25531 3.99434 TIMING: 3168200 CPU: 9181.6, 0.00288521/step Wall: 9181.6, 0.00288522/step, 1.46809 hours remaining, 210.601562 MB of memory in use. ENERGY: 3168200 730.2290 2072.9649 1953.3765 109.6113 -206249.3511 17780.6860 0.0000 0.0000 34306.8416 -149295.6418 299.6102 -183602.4834 -149198.8897 298.9170 7.8248 36.5750 556085.1303 -0.5888 -0.8552 LDB: ============= START OF LOAD BALANCING ============== 9184.99 LDB: ============== END OF LOAD BALANCING =============== 9184.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9184.99 LDB: ============= START OF LOAD BALANCING ============== 9185.28 LDB: Largest compute 4800 load 0.020811 is 17.6% of average load 0.118015 LDB: Average compute 0.001730 is 1.5% of average load 0.118015 LDB: TIME 9185.28 LOAD: AVG 0.118015 MAX 0.178529 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.699 MB LDB: TIME 9185.28 LOAD: AVG 0.118015 MAX 0.178529 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.699 MB LDB: TIME 9185.28 LOAD: AVG 0.118015 MAX 0.178529 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.699 MB LDB: ============== END OF LOAD BALANCING =============== 9185.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9185.29 PRESSURE: 3168400 36.5467 -1.08239 -39.5146 -1.08367 -90.8234 137.441 -39.5156 137.443 -79.6799 GPRESSURE: 3168400 24.4018 -52.3666 -69.1772 24.9193 -13.6715 59.8175 -40.2638 108.551 -46.3938 PRESSAVG: 3168400 6.40734 -34.6887 16.715 -34.6887 -31.0407 50.89 16.7149 50.89 22.0924 GPRESSAVG: 3168400 5.50937 -34.9962 16.7032 -36.0332 -30.1674 49.4425 15.1184 51.316 21.7966 TIMING: 3168400 CPU: 9182.19, 0.00295019/step Wall: 9182.19, 0.00295019/step, 1.50099 hours remaining, 210.929688 MB of memory in use. ENERGY: 3168400 762.2328 2044.7951 1950.4154 113.7623 -206105.6113 17736.4036 0.0000 0.0000 34287.6108 -149210.3913 299.4422 -183498.0021 -149110.0674 299.0864 -44.6522 -11.8878 555558.4782 -0.8470 -0.9538 PRESSURE: 3168600 -89.1826 -43.8299 47.9975 -43.8303 -143.597 -60.4153 47.9981 -60.4143 -265.934 GPRESSURE: 3168600 -24.3938 -66.3262 101.063 -97.5697 -145.609 -15.2469 85.2934 -9.67526 -242.908 PRESSAVG: 3168600 2.97306 -35.8248 -26.2414 -35.8248 26.9595 -18.8426 -26.2413 -18.8426 14.9169 GPRESSAVG: 3168600 4.14684 -35.24 -28.8575 -34.5518 26.5233 -15.6685 -24.7702 -20.9696 14.2198 TIMING: 3168600 CPU: 9182.76, 0.00285174/step Wall: 9182.76, 0.00285174/step, 1.45075 hours remaining, 211.187500 MB of memory in use. ENERGY: 3168600 761.2652 2094.5166 1937.5927 100.7164 -205902.2745 17558.0876 0.0000 0.0000 34299.1757 -149150.9204 299.5432 -183450.0961 -149057.5817 299.3367 -166.2377 -137.6368 557661.8660 14.9498 14.9633 PRESSURE: 3168800 231.109 -0.52287 84.0748 -0.522682 174.954 -143.504 84.0764 -143.504 166.032 GPRESSURE: 3168800 228.375 28.8149 78.8246 50.5635 238.988 -139.796 132.566 -211.327 196.272 PRESSAVG: 3168800 33.8231 -13.9032 -35.0515 -13.9032 1.23897 -10.7297 -35.0515 -10.7297 -53.3768 GPRESSAVG: 3168800 33.8813 -12.4855 -33.9064 -14.1331 1.02663 -11.0542 -34.805 -10.9291 -53.0309 TIMING: 3168800 CPU: 9183.34, 0.00287166/step Wall: 9183.34, 0.00287166/step, 1.46072 hours remaining, 211.187500 MB of memory in use. ENERGY: 3168800 755.5265 2036.3530 1949.7290 123.2954 -206485.6337 18165.7280 0.0000 0.0000 34196.4818 -149258.5199 298.6464 -183455.0017 -149160.8565 299.3006 190.6984 221.2118 557402.4711 -6.1049 -6.0410 PRESSURE: 3169000 107.12 75.5527 -130.517 75.5532 -138.149 107.328 -130.518 107.328 255.462 GPRESSURE: 3169000 125.473 52.839 -86.5249 108.187 -61.8625 78.1178 -114.01 114.972 243.71 PRESSAVG: 3169000 32.6473 15.3643 -44.8838 15.3643 -0.6353 35.8673 -44.8838 35.8674 -43.146 GPRESSAVG: 3169000 31.2009 13.802 -46.466 17.1952 0.0336014 32.7417 -46.3132 37.8323 -42.452 TIMING: 3169000 CPU: 9183.91, 0.00285984/step Wall: 9183.91, 0.00285984/step, 1.45455 hours remaining, 211.187500 MB of memory in use. ENERGY: 3169000 769.4854 2127.4114 1964.6252 111.4772 -206479.6397 18163.2457 0.0000 0.0000 34150.9476 -149192.4472 298.2487 -183343.3947 -149106.3728 298.9181 74.8111 102.4400 559174.9490 -3.7113 -3.7392 PRESSURE: 3169200 -177.365 2.58418 -113.132 2.58443 54.9561 80.1013 -113.132 80.099 -214.629 GPRESSURE: 3169200 -138.474 46.0208 -107.942 -10.0211 58.9124 68.2644 -99.3982 32.253 -159.096 PRESSAVG: 3169200 0.637554 0.949214 -31.9507 0.949244 -8.97866 47.3118 -31.9507 47.3118 11.8075 GPRESSAVG: 3169200 0.931293 1.77737 -29.6844 -0.561096 -9.11827 48.428 -32.3193 44.9463 11.9156 TIMING: 3169200 CPU: 9184.48, 0.00287769/step Wall: 9184.48, 0.00287769/step, 1.46347 hours remaining, 211.187500 MB of memory in use. ENERGY: 3169200 724.0047 2093.4923 1949.7578 114.6826 -206081.8395 17670.0533 0.0000 0.0000 34247.2759 -149282.5729 299.0900 -183529.8488 -149181.5796 298.4579 -112.3458 -79.5523 560047.7816 1.1555 1.2429 PRESSURE: 3169400 89.4036 68.9258 -47.5741 68.9256 63.8501 -17.9107 -47.5741 -17.9106 -93.932 GPRESSURE: 3169400 115.586 95.1845 -91.1988 73.6385 90.8597 -2.19406 -81.3778 -66.5363 -70.0889 PRESSAVG: 3169400 13.0504 20.5313 -18.4888 20.5313 8.1617 28.7753 -18.4889 28.7753 -19.4036 GPRESSAVG: 3169400 12.7821 19.9776 -17.4765 21.7005 8.54647 30.6585 -18.9797 30.0741 -19.5362 TIMING: 3169400 CPU: 9185.06, 0.00288773/step Wall: 9185.06, 0.00288773/step, 1.46841 hours remaining, 211.187500 MB of memory in use. ENERGY: 3169400 733.5379 2127.1095 1976.9648 123.9498 -206046.4180 17826.5641 0.0000 0.0000 34043.0482 -149215.2437 297.3064 -183258.2919 -149117.2793 298.6612 19.7739 45.4523 559177.7004 0.6028 0.5974 PRESSURE: 3169600 -239.914 24.8511 -263.107 24.8513 122.721 -48.0875 -263.105 -48.0865 137.969 GPRESSURE: 3169600 -194.704 28.5857 -239.015 37.1072 185.512 17.3213 -232.502 -12.3835 141.039 PRESSAVG: 3169600 -20.2756 -67.0506 -21.4657 -67.0506 -9.41147 -46.0285 -21.4658 -46.0286 23.2232 GPRESSAVG: 3169600 -20.0487 -68.932 -22.9541 -66.6581 -9.281 -45.4863 -20.8969 -47.1999 22.6088 TIMING: 3169600 CPU: 9185.64, 0.00290346/step Wall: 9185.64, 0.00290346/step, 1.47625 hours remaining, 211.187500 MB of memory in use. ENERGY: 3169600 758.8736 2084.7284 1959.4394 113.4039 -206385.6963 17861.1456 0.0000 0.0000 34329.2915 -149278.8141 299.8062 -183608.1056 -149178.0356 299.4444 6.9255 43.9493 557918.3879 -2.1546 -2.2403 PRESSURE: 3169800 -183.057 -31.3696 44.6301 -31.3683 -186.747 3.30258 44.6301 3.30036 -388.947 GPRESSURE: 3169800 -167.205 -2.64157 24.6696 -2.73605 -137.718 10.1828 92.9777 49.7906 -351.51 PRESSAVG: 3169800 30.1001 6.5925 -86.8341 6.59249 -22.6722 -1.936 -86.8341 -1.93601 -37.8405 GPRESSAVG: 3169800 29.364 7.21069 -85.8638 6.33605 -21.9432 -2.4188 -86.9019 -2.69943 -37.5867 TIMING: 3169800 CPU: 9186.22, 0.00289115/step Wall: 9186.22, 0.00289115/step, 1.46983 hours remaining, 211.187500 MB of memory in use. ENERGY: 3169800 766.6434 2106.9904 1943.6225 115.3997 -206239.3788 17755.0855 0.0000 0.0000 34173.5585 -149378.0787 298.4462 -183551.6373 -149282.4626 298.6314 -252.9171 -218.8111 557710.2093 -10.1375 -10.0553 PRESSURE: 3170000 67.6099 83.3045 -51.4084 83.3048 94.0747 112.212 -51.4088 112.211 47.8522 GPRESSURE: 3170000 98.783 38.3133 -70.6741 157.344 109.793 110.858 -102.447 97.9479 103.448 PRESSAVG: 3170000 -46.5049 27.4438 -112.586 27.4438 22.9038 1.27774 -112.586 1.27775 16.1668 GPRESSAVG: 3170000 -45.8016 27.1904 -112.448 25.1814 20.3154 1.80682 -113.144 0.804837 18.0866 TIMING: 3170000 CPU: 9186.8, 0.00288147/step Wall: 9186.8, 0.00288147/step, 1.46474 hours remaining, 211.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3170000 782.8719 2027.8906 1977.4767 107.7565 -206250.2008 17857.3480 0.0000 0.0000 34399.5751 -149097.2821 300.4200 -183496.8572 -148996.0641 299.3734 69.8456 104.0079 556407.3169 -2.4781 -2.4665 PRESSURE: 3170200 -23.9925 -36.1443 -25.2257 -36.1434 11.6517 -83.5768 -25.2263 -83.5769 -44.2739 GPRESSURE: 3170200 -9.69262 15.6006 -2.51559 -8.96113 45.2322 -94.8538 -87.8226 -93.3791 15.931 PRESSAVG: 3170200 16.5256 -5.50987 22.9432 -5.50992 -15.2523 -7.00624 22.9433 -7.00626 -21.2121 GPRESSAVG: 3170200 16.8936 -5.17436 22.1342 -3.80194 -13.9621 -10.1629 23.1582 -3.39128 -22.6227 TIMING: 3170200 CPU: 9187.37, 0.00287373/step Wall: 9187.37, 0.00287373/step, 1.46065 hours remaining, 211.187500 MB of memory in use. ENERGY: 3170200 731.9481 2079.1203 1971.3802 117.8845 -206195.5551 17818.7524 0.0000 0.0000 34384.3902 -149092.0794 300.2874 -183476.4696 -148993.2377 299.9494 -18.8716 17.1568 557727.5555 -6.6463 -6.5637 PRESSURE: 3170400 -69.898 67.9233 5.4079 67.9226 -46.1456 32.7777 5.40824 32.7756 14.721 GPRESSURE: 3170400 -9.37251 35.7292 -4.54138 68.7275 -52.1804 -13.8462 -28.5098 30.7109 57.7972 PRESSAVG: 3170400 -9.38736 -55.3277 30.9037 -55.3278 5.12182 -25.6849 30.9036 -25.6847 6.41199 GPRESSAVG: 3170400 -9.7277 -53.2639 32.0856 -55.9695 4.76105 -25.6391 29.2722 -27.3557 7.09338 TIMING: 3170400 CPU: 9187.95, 0.00287199/step Wall: 9187.95, 0.00287199/step, 1.45961 hours remaining, 211.187500 MB of memory in use. ENERGY: 3170400 706.5969 2058.4602 1989.1486 107.7466 -206331.0879 17939.8634 0.0000 0.0000 34475.4773 -149053.7948 301.0829 -183529.2722 -148963.5186 299.4204 -33.7742 -1.2519 558255.4714 0.7155 0.7089 PRESSURE: 3170600 -145.512 27.0534 50.8665 27.0539 30.8503 137.2 50.8681 137.201 -244.663 GPRESSURE: 3170600 -80.2046 113.977 81.8528 -73.2611 35.9716 120.412 115.337 196.164 -216.375 PRESSAVG: 3170600 24.8995 48.8339 44.3799 48.8339 1.12239 13.0679 44.3799 13.068 -17.7054 GPRESSAVG: 3170600 24.1444 46.0363 43.4749 49.4589 2.65041 14.2268 46.1973 12.1747 -18.29 TIMING: 3170600 CPU: 9188.52, 0.00289169/step Wall: 9188.52, 0.00289169/step, 1.46946 hours remaining, 211.187500 MB of memory in use. ENERGY: 3170600 706.9719 2078.0029 1934.6245 119.5775 -205889.2659 17747.8983 0.0000 0.0000 34286.6366 -149015.5542 299.4337 -183302.1908 -148913.4804 299.5681 -119.7749 -86.8692 560097.5488 2.7722 2.8349 PRESSURE: 3170800 -51.6041 87.8603 76.3453 87.8604 127.256 91.5493 76.3461 91.5509 -197.72 GPRESSURE: 3170800 -12.8067 112.298 59.2074 63.6142 153.58 77.144 19.6963 84.774 -166.764 PRESSAVG: 3170800 52.1718 -42.0937 -8.4109 -42.0936 41.5427 -11.2114 -8.41092 -11.2115 -34.0716 GPRESSAVG: 3170800 53.3765 -42.4987 -8.54065 -42.4497 40.3224 -9.93818 -9.98029 -10.5666 -34.0871 TIMING: 3170800 CPU: 9189.1, 0.00289786/step Wall: 9189.1, 0.00289786/step, 1.47244 hours remaining, 211.187500 MB of memory in use. ENERGY: 3170800 774.8207 2054.8615 1950.4616 118.7879 -206165.2522 17812.8614 0.0000 0.0000 34266.2946 -149187.1646 299.2561 -183453.4592 -149086.6225 299.2161 -40.6891 -8.6636 558508.4216 19.8810 19.8706 PRESSURE: 3171000 -39.7812 -233.657 -123.959 -233.656 -218.223 -106.336 -123.959 -106.334 -176.477 GPRESSURE: 3171000 6.76405 -210.948 -86.1246 -189.018 -199.459 -112.914 -202.095 -45.2512 -139.947 PRESSAVG: 3171000 52.3948 -93.6961 9.86473 -93.6961 69.6064 -55.6398 9.86481 -55.6398 -36.6901 GPRESSAVG: 3171000 52.888 -92.3158 10.2332 -93.4648 71.0095 -56.5402 11.4771 -57.8536 -38.1444 TIMING: 3171000 CPU: 9189.68, 0.00288312/step Wall: 9189.68, 0.00288312/step, 1.46479 hours remaining, 211.187500 MB of memory in use. ENERGY: 3171000 734.8367 2071.3946 1969.9562 98.0897 -206344.7978 17725.9427 0.0000 0.0000 34275.8530 -149468.7249 299.3395 -183744.5778 -149366.7169 298.3409 -144.8272 -110.8807 558521.3937 28.4370 28.5844 PRESSURE: 3171200 16.903 168.516 -82.2008 168.516 -37.1157 -121.437 -82.2007 -121.437 -180.435 GPRESSURE: 3171200 142.086 109.799 -117.449 162.366 -68.5939 -38.8899 -19.0535 -108.308 -180.809 PRESSAVG: 3171200 -21.8851 5.94223 -28.0497 5.9422 43.4083 -71.7667 -28.0497 -71.7667 3.94873 GPRESSAVG: 3171200 -22.8195 5.42925 -28.4187 7.26309 42.2193 -71.9256 -26.2483 -71.1128 6.43108 TIMING: 3171200 CPU: 9190.26, 0.00288256/step Wall: 9190.26, 0.00288256/step, 1.46434 hours remaining, 211.187500 MB of memory in use. ENERGY: 3171200 773.1624 2054.1488 1951.7622 118.2827 -206345.9776 17785.3802 0.0000 0.0000 34216.1053 -149447.1359 298.8178 -183663.2412 -149354.1160 298.7073 -66.8826 -35.7723 559508.1142 8.4906 8.6103 PRESSURE: 3171400 10.691 104.174 58.8192 104.174 -370.268 75.3343 58.8196 75.334 -121.275 GPRESSURE: 3171400 14.1638 67.4684 84.8212 38.753 -304.277 115.628 75.9636 51.3727 -86.1868 PRESSAVG: 3171400 -3.68747 -10.449 -19.2734 -10.4491 -10.1108 13.6688 -19.2735 13.6688 -15.2582 GPRESSAVG: 3171400 -3.56403 -9.30358 -19.4733 -11.9268 -9.76656 11.6709 -21.0271 16.6087 -15.8811 TIMING: 3171400 CPU: 9190.84, 0.00293458/step Wall: 9190.84, 0.00293458/step, 1.49061 hours remaining, 211.187500 MB of memory in use. ENERGY: 3171400 799.2017 2120.8333 1948.7300 111.1404 -206297.1768 17887.4851 0.0000 0.0000 34003.9586 -149425.8277 296.9650 -183429.7862 -149327.9547 298.0864 -160.2843 -125.4333 559871.5384 -9.6855 -9.7372 PRESSURE: 3171600 178.229 83.7893 -31.0235 83.7893 -117.285 54.1599 -31.0234 54.1609 91.392 GPRESSURE: 3171600 228.432 142.966 -119.062 65.3791 -82.4032 40.662 13.2889 -3.58936 99.3703 PRESSAVG: 3171600 13.2522 7.04204 -49.5724 7.04201 8.03473 45.3083 -49.5724 45.3084 -3.31284 GPRESSAVG: 3171600 13.4673 5.55053 -49.1146 7.78279 7.76052 47.918 -50.9891 43.4408 -2.72918 TIMING: 3171600 CPU: 9191.42, 0.00288954/step Wall: 9191.42, 0.00288954/step, 1.46757 hours remaining, 211.187500 MB of memory in use. ENERGY: 3171600 738.0816 2141.8803 1948.6658 99.8025 -206639.6717 17954.2511 0.0000 0.0000 34448.6370 -149308.3534 300.8485 -183756.9904 -149209.7521 298.5304 50.7786 81.7999 557178.9865 5.9914 6.1662 PRESSURE: 3171800 -147.685 48.1201 -19.6342 48.1213 168.257 116.661 -19.6355 116.658 -35.5688 GPRESSURE: 3171800 -150.622 52.8941 -36.4649 31.0424 237.076 60.2981 16.7621 144.87 -13.4308 PRESSAVG: 3171800 -53.9808 24.931 -24.8857 24.931 23.013 6.83589 -24.8857 6.83571 29.4084 GPRESSAVG: 3171800 -53.1657 25.0943 -24.0157 26.3548 22.9913 6.67814 -22.8049 6.03145 29.158 TIMING: 3171800 CPU: 9192, 0.00289495/step Wall: 9192, 0.00289495/step, 1.47015 hours remaining, 211.187500 MB of memory in use. ENERGY: 3171800 732.5678 2131.2929 1964.3944 102.7658 -206038.5343 17713.3393 0.0000 0.0000 34151.0833 -149243.0907 298.2499 -183394.1740 -149144.0054 298.8929 -4.9992 24.3411 557384.3269 -0.5198 -0.3388 PRESSURE: 3172000 156.286 -74.967 -111.512 -74.9671 239.035 -55.252 -111.512 -55.2527 75.1894 GPRESSURE: 3172000 174.298 -118.774 -129.736 -147.519 249.762 -24.138 -126.052 -103.235 144.66 PRESSAVG: 3172000 3.67243 26.8801 -92.1939 26.8801 12.03 36.6078 -92.1939 36.6079 -4.22569 GPRESSAVG: 3172000 4.07823 29.1804 -93.8765 23.7301 11.7542 37.4029 -92.1076 36.8887 -4.22234 TIMING: 3172000 CPU: 9192.58, 0.00287666/step Wall: 9192.58, 0.00287666/step, 1.4607 hours remaining, 211.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3172000 769.9288 2155.1734 1977.6083 108.1493 -206593.9042 18158.3290 0.0000 0.0000 33986.4057 -149438.3097 296.8117 -183424.7154 -149349.0852 298.4786 156.8367 189.5734 556274.3847 3.8256 3.8700 PRESSURE: 3172200 -104.511 -48.5357 -83.7024 -48.5361 129.054 -80.8507 -83.7036 -80.8504 225.345 GPRESSURE: 3172200 -100.562 -51.0718 38.865 -205.211 190.793 70.4685 -93.0578 -156.643 258.182 PRESSAVG: 3172200 1.0221 4.81 -48.2573 4.81012 42.0898 24.4912 -48.2574 24.4913 -42.5759 GPRESSAVG: 3172200 -1.02015 3.987 -48.1575 5.34489 42.8998 24.1521 -49.7906 24.5623 -41.618 TIMING: 3172200 CPU: 9193.16, 0.00289761/step Wall: 9193.16, 0.00289761/step, 1.47118 hours remaining, 211.187500 MB of memory in use. ENERGY: 3172200 736.8277 2091.6661 1943.8837 114.8166 -206630.6687 18051.2714 0.0000 0.0000 34111.2317 -149580.9714 297.9019 -183692.2031 -149485.4551 298.3928 83.2961 116.1374 556789.1876 0.1787 0.0872 LDB: ============= START OF LOAD BALANCING ============== 9196.54 LDB: ============== END OF LOAD BALANCING =============== 9196.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9196.54 LDB: ============= START OF LOAD BALANCING ============== 9196.84 LDB: Largest compute 4800 load 0.023215 is 19.7% of average load 0.117955 LDB: Average compute 0.001733 is 1.5% of average load 0.117955 LDB: TIME 9196.84 LOAD: AVG 0.117955 MAX 0.181194 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.418 MB LDB: TIME 9196.84 LOAD: AVG 0.117955 MAX 0.181194 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.418 MB LDB: TIME 9196.84 LOAD: AVG 0.117955 MAX 0.181194 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.418 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9196.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9196.85 PRESSURE: 3172400 -215.646 -14.8019 89.2913 -14.8018 -305.188 29.9798 89.2914 29.9792 -112.236 GPRESSURE: 3172400 -173.159 128.912 91.3076 -81.6266 -277.631 90.2852 67.7217 37.803 -88.7138 PRESSAVG: 3172400 -40.5715 7.94849 -35.2964 7.94855 7.71793 0.971284 -35.2965 0.971355 24.912 GPRESSAVG: 3172400 -39.5481 8.01537 -33.8007 8.07561 6.60059 0.797478 -35.0412 1.13807 24.5351 TIMING: 3172400 CPU: 9193.75, 0.00297421/step Wall: 9193.75, 0.00297421/step, 1.50991 hours remaining, 209.308594 MB of memory in use. ENERGY: 3172400 802.7087 2087.5394 1941.9672 106.6223 -206417.5459 17668.6512 0.0000 0.0000 34298.2699 -149511.7871 299.5353 -183810.0571 -149406.8328 298.4462 -211.0233 -179.8345 558172.9087 -2.6472 -2.8041 PRESSURE: 3172600 209.359 -169.15 -15.0638 -169.149 -64.2907 -182.837 -15.0636 -182.837 -166.735 GPRESSURE: 3172600 275.144 -163.24 -27.7353 -185.074 -60.9354 -141.832 36.6554 -96.0336 -141.892 PRESSAVG: 3172600 48.803 -16.0228 -32.5862 -16.0229 -14.3443 3.95645 -32.5861 3.95655 -2.70714 GPRESSAVG: 3172600 49.1077 -16.462 -33.6467 -15.6831 -13.5239 4.16948 -31.3852 3.90431 -3.39426 TIMING: 3172600 CPU: 9194.33, 0.00291226/step Wall: 9194.33, 0.00291226/step, 1.4783 hours remaining, 209.308594 MB of memory in use. ENERGY: 3172600 793.0348 2132.6082 1965.6961 110.9783 -206598.4846 17931.8029 0.0000 0.0000 34020.3404 -149644.0239 297.1081 -183664.3643 -149554.1584 298.7644 -7.2222 24.1057 557688.0772 10.5839 10.7299 PRESSURE: 3172800 84.6708 -219.19 112.434 -219.191 -90.7891 -92.6655 112.435 -92.6658 36.1591 GPRESSURE: 3172800 116.198 -146.626 115.935 -114.622 -60.3965 -102.993 75.9866 -135.479 58.4195 PRESSAVG: 3172800 41.4438 -6.25336 16.4714 -6.25335 2.83836 -27.5873 16.4715 -27.5873 -67.2523 GPRESSAVG: 3172800 41.205 -7.43827 17.9314 -5.8052 3.1743 -26.8131 15.7843 -27.6403 -66.6029 TIMING: 3172800 CPU: 9194.91, 0.00289688/step Wall: 9194.91, 0.00289688/step, 1.47033 hours remaining, 209.308594 MB of memory in use. ENERGY: 3172800 732.6759 2091.6604 1985.9174 118.7194 -206387.9942 17889.4470 0.0000 0.0000 34093.4467 -149476.1275 297.7465 -183569.5742 -149377.7279 298.5815 10.0136 38.0736 556416.4802 -7.6567 -7.4079 PRESSURE: 3173000 188.781 -93.4669 52.6715 -93.4658 193.309 63.1556 52.6712 63.1552 -27.6344 GPRESSURE: 3173000 202.283 -27.6222 15.2904 -44.2636 205.257 56.379 72.1388 17.8974 34.6751 PRESSAVG: 3173000 -4.62878 -20.1655 14.234 -20.1656 31.8139 -62.7167 14.234 -62.7167 -35.7653 GPRESSAVG: 3173000 -5.46398 -20.4639 13.3499 -21.4486 33.2311 -63.9382 14.7409 -59.9139 -36.9683 TIMING: 3173000 CPU: 9195.49, 0.00288615/step Wall: 9195.49, 0.00288615/step, 1.46472 hours remaining, 209.308594 MB of memory in use. ENERGY: 3173000 732.5627 2118.6947 1955.2720 121.0167 -206782.0049 18078.4264 0.0000 0.0000 34152.4214 -149623.6110 298.2616 -183776.0325 -149525.6456 298.9050 118.1518 147.4050 555726.5515 -2.8601 -3.0671 PRESSURE: 3173200 -33.3248 -62.9361 65.421 -62.9365 10.994 54.0806 65.4218 54.0816 -62.0181 GPRESSURE: 3173200 1.62871 -0.0604066 108.92 -95.1285 -6.19027 -19.1251 110.539 71.1995 13.7337 PRESSAVG: 3173200 34.3716 6.52719 43.8226 6.52729 3.83897 -23.0175 43.8227 -23.0177 -55.9996 GPRESSAVG: 3173200 34.814 5.29222 44.0859 9.94207 2.72479 -24.5162 42.1637 -24.4124 -54.8605 TIMING: 3173200 CPU: 9196.07, 0.00287804/step Wall: 9196.07, 0.00287804/step, 1.46044 hours remaining, 209.308594 MB of memory in use. ENERGY: 3173200 722.1380 2091.4136 1952.1551 104.3414 -206211.3088 17862.1364 0.0000 0.0000 33806.4788 -149672.6455 295.2404 -183479.1244 -149580.5820 298.1390 -28.1163 3.0574 557618.9658 -5.9297 -5.7739 PRESSURE: 3173400 74.3892 17.8415 202.209 17.8417 -91.3997 -42.0418 202.209 -42.0416 -164.524 GPRESSURE: 3173400 96.6667 3.90973 244.689 60.3716 -87.6769 26.1365 218.344 -10.3119 -86.7234 PRESSAVG: 3173400 -3.55296 12.6647 32.7795 12.6646 25.7504 -40.1127 32.7795 -40.1126 -55.2574 GPRESSAVG: 3173400 -3.7899 15.3558 31.7179 9.26463 25.927 -37.1337 35.1603 -42.3603 -54.9653 TIMING: 3173400 CPU: 9196.65, 0.00291056/step Wall: 9196.65, 0.00291056/step, 1.47678 hours remaining, 209.308594 MB of memory in use. ENERGY: 3173400 729.3783 2090.2149 1939.0582 114.9485 -206509.2470 17864.7019 0.0000 0.0000 34093.8221 -149677.1230 297.7498 -183770.9451 -149580.1546 297.8098 -60.5115 -25.9112 557903.7983 -11.0200 -10.9427 PRESSURE: 3173600 -59.7636 -96.3958 -107.595 -96.3955 56.1487 62.3772 -107.596 62.3759 54.808 GPRESSURE: 3173600 -30.3904 -29.3717 -95.8993 -184.512 81.8798 158.256 -85.8379 28.194 97.5805 PRESSAVG: 3173600 45.7334 11.9321 -12.3281 11.9321 30.8633 44.3752 -12.328 44.3751 -73.6833 GPRESSAVG: 3173600 47.0784 11.2085 -10.7816 11.7739 30.9581 43.9692 -12.4963 43.5674 -74.5944 TIMING: 3173600 CPU: 9197.23, 0.00289008/step Wall: 9197.23, 0.00289008/step, 1.46623 hours remaining, 209.308594 MB of memory in use. ENERGY: 3173600 738.4648 2096.3610 1952.1306 117.8642 -206595.2405 17867.7503 0.0000 0.0000 34136.4773 -149686.1923 298.1223 -183822.6696 -149590.4727 297.6487 17.0644 49.6900 556001.0515 0.9711 1.1474 PRESSURE: 3173800 -268.207 -212.799 -127.293 -212.799 -81.3744 31.7165 -127.292 31.7159 -266.889 GPRESSURE: 3173800 -239.72 -190.289 -133.031 -199.59 -79.8223 77.0349 -126.109 -22.3196 -205.695 PRESSAVG: 3173800 28.7611 -9.69388 -66.9192 -9.69395 4.76196 -20.9595 -66.9192 -20.9595 -41.8793 GPRESSAVG: 3173800 28.9418 -11.0047 -67.9218 -7.57734 4.13692 -20.9247 -67.0764 -19.7134 -41.4662 TIMING: 3173800 CPU: 9197.8, 0.00288623/step Wall: 9197.8, 0.00288623/step, 1.46412 hours remaining, 209.308594 MB of memory in use. ENERGY: 3173800 702.2543 2080.3150 1957.1965 98.2217 -205899.8387 17472.3264 0.0000 0.0000 33908.6245 -149680.9003 296.1325 -183589.5248 -149570.9041 297.6275 -205.4901 -175.0789 557240.7624 -2.7854 -2.7958 PRESSURE: 3174000 228.884 -61.3946 -118.214 -61.3948 -25.907 30.834 -118.215 30.8341 -25.57 GPRESSURE: 3174000 267.536 -97.0751 -139.781 -7.22051 19.9886 100.215 -155.196 60.4549 -9.51483 PRESSAVG: 3174000 -3.49024 -38.2171 -16.0915 -38.2172 26.4108 -15.2609 -16.0915 -15.2609 -26.3347 GPRESSAVG: 3174000 -4.35242 -37.0822 -16.9873 -41.2932 26.492 -13.8213 -16.1708 -15.1994 -25.2137 TIMING: 3174000 CPU: 9198.38, 0.00289661/step Wall: 9198.38, 0.00289661/step, 1.46922 hours remaining, 209.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3174000 736.7847 2115.4884 1951.6898 114.0739 -206504.6803 17790.5858 0.0000 0.0000 34056.9495 -149739.1082 297.4278 -183796.0577 -149635.0783 297.0584 59.1357 92.6700 555142.0332 -1.1380 -1.0247 PRESSURE: 3174200 -8.66552 2.09522 -60.6543 2.09746 -0.0933699 37.6244 -60.655 37.6241 98.3691 GPRESSURE: 3174200 21.193 10.1657 -118.5 -65.8066 77.6057 -4.90079 -81.5783 144.679 90.3086 PRESSAVG: 3174200 25.0804 -13.7603 -77.621 -13.7602 15.6432 35.1444 -77.621 35.1444 -22.4901 GPRESSAVG: 3174200 25.2031 -12.9407 -77.7595 -12.3757 15.1516 32.8791 -77.9326 36.5306 -22.5749 TIMING: 3174200 CPU: 9198.96, 0.00289937/step Wall: 9198.96, 0.00289937/step, 1.47047 hours remaining, 209.308594 MB of memory in use. ENERGY: 3174200 733.9056 2027.7647 1968.8848 124.2568 -206443.4836 17839.0341 0.0000 0.0000 34092.3104 -149657.3271 297.7366 -183749.6375 -149553.1477 297.6351 29.8701 63.0358 556030.5029 6.0778 5.9266 PRESSURE: 3174400 -230.963 0.774328 -16.1895 0.775039 -108.65 -118.367 -16.1891 -118.368 -41.3304 GPRESSURE: 3174400 -168.866 35.7872 35.9791 -35.8422 -77.1789 -47.1353 5.55534 -106.294 -30.1482 PRESSAVG: 3174400 85.8936 -43.7584 -2.1164 -43.7584 -103.012 -2.09078 -2.11642 -2.09086 25.8256 GPRESSAVG: 3174400 85.8351 -47.7262 -0.355236 -41.1781 -102.406 -1.71743 -5.46325 -4.80436 26.013 TIMING: 3174400 CPU: 9199.54, 0.00289266/step Wall: 9199.54, 0.00289266/step, 1.4669 hours remaining, 209.308594 MB of memory in use. ENERGY: 3174400 727.9076 2143.8035 1930.6729 113.8324 -206243.7342 17688.1318 0.0000 0.0000 34014.9222 -149624.4637 297.0608 -183639.3859 -149525.6514 297.8139 -126.9809 -92.0642 557665.4637 2.9025 3.1475 PRESSURE: 3174600 -212.782 -9.86619 -121.9 -9.86583 111.677 61.0118 -121.9 61.0105 31.2035 GPRESSURE: 3174600 -131.262 35.3176 -200.715 -14.8067 135.251 49.0794 -53.521 46.4105 20.0955 PRESSAVG: 3174600 -31.1185 8.61309 -46.9421 8.61317 -16.8323 -1.19023 -46.9419 -1.19019 13.7256 GPRESSAVG: 3174600 -31.0224 11.0718 -48.1233 9.57604 -16.3821 0.141095 -44.0949 -0.573376 12.7531 TIMING: 3174600 CPU: 9200.11, 0.0028729/step Wall: 9200.11, 0.0028729/step, 1.45672 hours remaining, 209.308594 MB of memory in use. ENERGY: 3174600 769.6391 2159.6574 1926.7198 115.8704 -206619.0407 17987.3094 0.0000 0.0000 33938.2873 -149721.5574 296.3915 -183659.8446 -149636.3041 297.9533 -23.3004 8.0280 557607.9840 -11.4084 -11.5505 PRESSURE: 3174800 -325.778 58.7071 -74.366 58.7061 69.306 -41.574 -74.3665 -41.5741 195.364 GPRESSURE: 3174800 -279.722 122.603 -64.5906 121.786 127.307 -103.443 -141.778 -72.7418 196.4 PRESSAVG: 3174800 -29.1695 -11.84 -1.36901 -11.8401 35.5753 -80.0557 -1.36893 -80.0558 -22.0756 GPRESSAVG: 3174800 -29.5934 -11.9745 -1.6563 -14.6479 36.8778 -81.0076 -0.498393 -78.7531 -22.7703 TIMING: 3174800 CPU: 9200.69, 0.00285381/step Wall: 9200.69, 0.00285381/step, 1.44688 hours remaining, 209.308594 MB of memory in use. ENERGY: 3174800 726.3781 2130.6274 1952.0385 115.5627 -206763.3934 17991.9755 0.0000 0.0000 34095.4003 -149751.4109 297.7636 -183846.8111 -149653.5247 298.2655 -20.3693 14.6617 557950.1268 -5.2233 -5.1620 PRESSURE: 3175000 -200.618 -79.2304 -90.1618 -79.231 15.2672 -60.4352 -90.1626 -60.4343 25.4279 GPRESSURE: 3175000 -196.876 -66.2155 -63.5598 -129.937 53.2836 -3.56456 -54.6645 -83.2121 64.2954 PRESSAVG: 3175000 -59.8876 -25.7295 -9.34394 -25.7295 57.9354 -14.7369 -9.34397 -14.7368 24.4369 GPRESSAVG: 3175000 -60.1911 -24.7528 -6.75198 -25.8758 57.5008 -16.0353 -11.6886 -14.5037 24.8498 TIMING: 3175000 CPU: 9201.26, 0.00286019/step Wall: 9201.26, 0.00286019/step, 1.44996 hours remaining, 209.308594 MB of memory in use. ENERGY: 3175000 741.4580 2103.0546 1936.2678 115.6685 -206766.6301 17812.9738 0.0000 0.0000 34142.2317 -149914.9757 298.1726 -184057.2074 -149810.8365 297.5672 -53.3077 -26.4323 555964.0604 7.4949 7.3865 PRESSURE: 3175200 -2.42912 160.958 155.141 160.959 -29.0844 90.5018 155.139 90.5038 -114.251 GPRESSURE: 3175200 -0.418391 176.998 155.524 149.213 5.34225 136.829 119.301 76.1438 -47.1587 PRESSAVG: 3175200 -18.5371 11.4209 -50.8549 11.4209 24.2198 23.3601 -50.8549 23.3601 -21.0373 GPRESSAVG: 3175200 -18.6266 11.4732 -52.4815 12.7942 23.9048 24.1861 -50.0396 23.4706 -21.2325 TIMING: 3175200 CPU: 9201.83, 0.00286239/step Wall: 9201.83, 0.00286239/step, 1.45091 hours remaining, 209.511719 MB of memory in use. ENERGY: 3175200 738.9388 2127.8308 1975.1774 118.7773 -206414.7696 17752.2160 0.0000 0.0000 33985.2570 -149716.5724 296.8017 -183701.8294 -149619.3053 297.6145 -48.5881 -14.0783 555807.9867 -5.1182 -5.3181 PRESSURE: 3175400 -94.8773 -9.82176 -85.0665 -9.82155 150.26 120.143 -85.0671 120.142 -86.5634 GPRESSURE: 3175400 -22.9534 -13.7627 -88.7949 21.4968 158.72 149.323 -70.75 175.271 -54.0204 PRESSAVG: 3175400 -3.92459 12.768 -13.7384 12.768 13.8539 12.7919 -13.7385 12.7918 -3.85247 GPRESSAVG: 3175400 -1.86789 12.5981 -16.5027 14.5207 12.2565 14.1687 -11.6351 11.2947 -3.46562 TIMING: 3175400 CPU: 9202.41, 0.0029068/step Wall: 9202.41, 0.0029068/step, 1.47326 hours remaining, 209.511719 MB of memory in use. ENERGY: 3175400 764.5525 2105.7315 1962.4581 113.2435 -206468.8262 17741.9592 0.0000 0.0000 33972.3377 -149808.5438 296.6889 -183780.8815 -149714.8476 297.7148 -10.3934 27.2486 556282.8410 2.0256 2.3077 PRESSURE: 3175600 15.0017 204.187 -128.266 204.187 -94.8968 49.6109 -128.265 49.6111 -106.177 GPRESSURE: 3175600 3.10944 175.678 -67.8414 211.712 -42.3156 -13.2662 -174.896 21.8408 -58.1635 PRESSAVG: 3175600 66.491 41.6717 24.7771 41.6717 -13.4676 60.2658 24.7771 60.2657 -57.3818 GPRESSAVG: 3175600 64.4506 41.8854 28.1752 39.9883 -12.3559 59.1296 23.4564 61.8758 -56.287 TIMING: 3175600 CPU: 9202.99, 0.0028893/step Wall: 9202.99, 0.0028893/step, 1.46424 hours remaining, 209.511719 MB of memory in use. ENERGY: 3175600 755.9260 2110.5751 1940.5210 111.3682 -206442.5200 17675.8274 0.0000 0.0000 34201.9337 -149646.3686 298.6940 -183848.3023 -149553.4549 298.2378 -62.0240 -32.4566 556301.3164 -1.4528 -1.3974 PRESSURE: 3175800 -331.309 12.0686 -20.3058 12.0695 -57.2677 -44.496 -20.3055 -44.4955 0.154578 GPRESSURE: 3175800 -234.18 24.8139 69.7085 -62.6521 -6.80002 -5.19478 2.70616 -45.6131 -52.2896 PRESSAVG: 3175800 38.3338 30.7655 -45.9327 30.7654 -19.0162 -29.9448 -45.9326 -29.945 9.60227 GPRESSAVG: 3175800 39.0543 29.5249 -47.6178 31.2545 -19.9328 -30.5659 -47.4765 -30.5093 9.31095 TIMING: 3175800 CPU: 9203.57, 0.00291214/step Wall: 9203.57, 0.00291214/step, 1.47565 hours remaining, 209.511719 MB of memory in use. ENERGY: 3175800 708.2138 2123.7601 1968.8535 109.9506 -206259.5053 17646.4228 0.0000 0.0000 34153.9216 -149548.3829 298.2747 -183702.3045 -149456.6596 298.7934 -129.4740 -97.7566 558320.9045 9.6399 9.4775 PRESSURE: 3176000 -12.7163 62.0786 -116.295 62.0783 -70.2906 122.546 -116.294 122.546 -28.9807 GPRESSURE: 3176000 46.0634 19.7039 -111.53 99.0764 -88.0633 63.5234 -130.353 100.114 23.5467 PRESSAVG: 3176000 -56.6796 17.5202 -31.0285 17.5202 3.96921 17.7074 -31.0285 17.7074 65.0264 GPRESSAVG: 3176000 -59.2139 18.6854 -31.5269 16.0448 5.09062 18.8047 -30.2057 17.3226 65.5853 TIMING: 3176000 CPU: 9204.15, 0.00289799/step Wall: 9204.15, 0.00289799/step, 1.46832 hours remaining, 209.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3176000 734.5571 2105.2940 1943.1473 115.3428 -206267.8227 17783.3582 0.0000 0.0000 34172.1416 -149413.9817 298.4338 -183586.1233 -149319.1323 298.1119 -37.3292 -6.1511 558347.6915 4.1053 3.8207 PRESSURE: 3176200 -285.684 15.3634 167.018 15.3645 -199.49 -20.0811 167.019 -20.0827 -172.473 GPRESSURE: 3176200 -230.246 -3.62511 221.368 11.9395 -145.993 -55.5921 140.841 3.32227 -173.096 PRESSAVG: 3176200 7.86693 32.2971 -20.3955 32.297 -2.63321 -7.12057 -20.3955 -7.12064 -13.3414 GPRESSAVG: 3176200 8.21789 31.8408 -19.7174 31.9312 -2.69115 -6.89313 -19.597 -8.34711 -13.6606 TIMING: 3176200 CPU: 9204.73, 0.00288268/step Wall: 9204.73, 0.00288268/step, 1.4604 hours remaining, 209.511719 MB of memory in use. ENERGY: 3176200 786.6214 2104.3355 1962.2391 100.2548 -205913.2375 17539.4460 0.0000 0.0000 34153.6415 -149266.6990 298.2722 -183420.3405 -149171.2943 298.5925 -219.2158 -183.1115 557976.1508 -2.7025 -2.7113 LDB: ============= START OF LOAD BALANCING ============== 9208.11 LDB: ============== END OF LOAD BALANCING =============== 9208.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9208.12 LDB: ============= START OF LOAD BALANCING ============== 9208.41 LDB: Largest compute 4801 load 0.021940 is 18.6% of average load 0.117922 LDB: Average compute 0.001739 is 1.5% of average load 0.117922 LDB: TIME 9208.41 LOAD: AVG 0.117922 MAX 0.177614 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.363 MB LDB: TIME 9208.41 LOAD: AVG 0.117922 MAX 0.177614 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.465 MB LDB: TIME 9208.41 LOAD: AVG 0.117922 MAX 0.177614 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9208.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9208.42 PRESSURE: 3176400 -90.2539 -14.5677 80.8706 -14.5681 -197.569 59.2346 80.8715 59.2362 142.012 GPRESSURE: 3176400 -36.4715 -14.6836 114.197 21.9871 -159.219 17.5551 17.2023 14.3448 148.792 PRESSAVG: 3176400 -13.2023 36.8094 41.2173 36.8095 12.0682 10.9902 41.2172 10.9901 13.0685 GPRESSAVG: 3176400 -13.3098 38.2535 43.6017 38.5913 11.7919 9.89286 38.7672 13.8029 13.675 TIMING: 3176400 CPU: 9205.32, 0.00297364/step Wall: 9205.32, 0.00297364/step, 1.50631 hours remaining, 209.367188 MB of memory in use. ENERGY: 3176400 734.5225 2141.0483 1959.0254 133.1277 -206067.1504 17627.7966 0.0000 0.0000 34105.7361 -149365.8937 297.8539 -183471.6298 -149272.2839 298.9309 -48.6037 -15.6328 556910.4421 3.9781 4.0524 PRESSURE: 3176600 157.094 160.795 -32.2926 160.796 -77.1725 -3.9533 -32.2932 -3.95478 20.8342 GPRESSURE: 3176600 223.14 168.974 -113.418 134.391 -82.5042 30.5363 -50.692 36.0643 55.733 PRESSAVG: 3176600 77.6662 24.751 50.3722 24.7509 15.8815 -38.3869 50.3722 -38.3868 -67.7692 GPRESSAVG: 3176600 78.3833 24.6352 48.5702 23.7246 14.9805 -37.856 51.2916 -39.5804 -67.5775 TIMING: 3176600 CPU: 9205.9, 0.00288473/step Wall: 9205.9, 0.00288473/step, 1.46112 hours remaining, 209.367188 MB of memory in use. ENERGY: 3176600 718.6589 2097.5398 1956.5380 121.9373 -206407.1498 17841.5658 0.0000 0.0000 34176.9379 -149493.9720 298.4757 -183670.9099 -149391.6755 298.2298 33.5853 65.4562 557486.4458 8.5928 8.5954 PRESSURE: 3176800 -124.443 18.2349 -62.7087 18.2332 165.534 -125.834 -62.71 -125.834 50.7634 GPRESSURE: 3176800 -114.594 95.0914 -10.8138 35.8196 182.292 -142.989 -154.248 -178.817 113.643 PRESSAVG: 3176800 -50.1003 10.136 -33.4707 10.1359 69.001 11.1946 -33.4707 11.1946 -28.2751 GPRESSAVG: 3176800 -49.6589 11.3056 -32.7636 11.9659 69.5512 10.1057 -35.3028 10.5928 -28.6451 TIMING: 3176800 CPU: 9206.48, 0.0029015/step Wall: 9206.48, 0.0029015/step, 1.46945 hours remaining, 209.367188 MB of memory in use. ENERGY: 3176800 747.5170 2083.9622 1973.7451 109.1403 -206441.9860 17856.7413 0.0000 0.0000 34151.6736 -149519.2065 298.2551 -183670.8801 -149421.7781 298.5580 30.6181 60.4471 556944.6298 -3.1248 -2.9176 PRESSURE: 3177000 -146.776 143.968 -184.435 143.969 -43.2867 -154.128 -184.435 -154.127 -256.341 GPRESSURE: 3177000 -86.0898 177.553 -192.58 123.567 -47.1863 -93.1976 -180.723 -226.863 -209.152 PRESSAVG: 3177000 78.5684 -6.69079 -10.7294 -6.6908 -20.6056 15.7637 -10.7295 15.7637 -45.7606 GPRESSAVG: 3177000 78.6814 -7.37134 -11.6673 -7.28916 -19.9475 17.4367 -8.68934 15.0037 -46.3103 TIMING: 3177000 CPU: 9207.06, 0.00291148/step Wall: 9207.06, 0.00291148/step, 1.47434 hours remaining, 209.367188 MB of memory in use. ENERGY: 3177000 765.7682 2124.3995 1971.4768 101.5517 -206117.3178 17736.0224 0.0000 0.0000 34087.9287 -149330.1705 297.6984 -183418.0992 -149230.3366 298.9873 -148.8010 -114.1427 558053.1940 4.0674 4.1412 PRESSURE: 3177200 -128.975 -53.8159 -53.7093 -53.8149 51.8542 240.722 -53.7088 240.721 -22.5736 GPRESSURE: 3177200 -42.3983 -126.867 3.15561 -44.4357 63.2998 179.272 -142.423 207.348 -16.9637 PRESSAVG: 3177200 11.9288 -2.90449 -0.46103 -2.90445 35.2025 -10.0934 -0.461026 -10.0934 -26.934 GPRESSAVG: 3177200 13.7716 -3.23836 0.700526 -4.87243 33.6022 -9.27163 -1.61721 -9.48905 -26.4214 TIMING: 3177200 CPU: 9207.64, 0.00290777/step Wall: 9207.64, 0.00290777/step, 1.4723 hours remaining, 209.367188 MB of memory in use. ENERGY: 3177200 718.2514 2163.6397 1951.8200 109.6306 -206140.2358 17747.8650 0.0000 0.0000 34179.3417 -149269.6875 298.4967 -183449.0292 -149166.6014 298.5383 -33.2316 1.3126 556958.4770 6.7324 6.9841 PRESSURE: 3177400 -238.939 37.3263 74.9768 37.3252 127.197 -49.8831 74.9763 -49.8832 -113.133 GPRESSURE: 3177400 -157.03 34.6966 69.1577 39.9074 117.157 20.8945 98.8346 -26.3189 -82.0837 PRESSAVG: 3177400 6.00265 -6.49082 36.6393 -6.49078 38.4019 -12.8335 36.6393 -12.8335 -26.0525 GPRESSAVG: 3177400 5.02719 -6.91002 37.1185 -5.1655 38.2378 -16.5174 35.8959 -11.5804 -25.1789 TIMING: 3177400 CPU: 9208.23, 0.00290745/step Wall: 9208.23, 0.00290745/step, 1.47198 hours remaining, 209.367188 MB of memory in use. ENERGY: 3177400 744.6216 2167.2963 1935.3043 130.5289 -205893.7483 17724.2683 0.0000 0.0000 34153.2572 -149038.4717 298.2689 -183191.7289 -148945.4102 298.5963 -74.9585 -40.6522 558368.2081 6.1173 6.0287 PRESSURE: 3177600 2.97051 -53.0064 21.5243 -53.0083 -3.12088 84.1891 21.5234 84.1884 -45.1924 GPRESSURE: 3177600 22.4957 -112.455 67.8016 22.1143 25.2229 58.9309 68.29 158.178 2.22695 PRESSAVG: 3177600 9.32524 37.2613 -0.66917 37.2612 39.2352 20.7249 -0.669163 20.725 -83.3482 GPRESSAVG: 3177600 9.98101 35.8236 -2.67758 37.3857 40.4873 23.9 1.86272 19.8095 -84.8082 TIMING: 3177600 CPU: 9208.81, 0.00292466/step Wall: 9208.81, 0.00292466/step, 1.48053 hours remaining, 209.367188 MB of memory in use. ENERGY: 3177600 710.9252 2157.0572 1956.8830 123.8911 -205922.8325 17622.0095 0.0000 0.0000 34324.6575 -149027.4090 299.7658 -183352.0665 -148929.0572 299.7070 -15.1143 16.6485 555308.7624 -11.5959 -11.4466 PRESSURE: 3177800 -288.004 100.864 38.2514 100.864 252.161 -135.202 38.2523 -135.203 -174.459 GPRESSURE: 3177800 -182.402 98.6559 93.8063 108.265 173.913 -253.525 34.6691 -153.999 -106.61 PRESSAVG: 3177800 -55.2796 38.5235 -34.1373 38.5236 49.7342 -6.97724 -34.1374 -6.9771 -6.66197 GPRESSAVG: 3177800 -57.0117 38.7538 -32.8392 38.9238 49.9859 -7.38335 -35.5392 -7.26662 -5.78835 TIMING: 3177800 CPU: 9209.39, 0.00291455/step Wall: 9209.39, 0.00291455/step, 1.47525 hours remaining, 209.367188 MB of memory in use. ENERGY: 3177800 808.9139 2073.8139 1921.8124 104.3255 -206099.5632 17835.7053 0.0000 0.0000 34429.3840 -148925.6083 300.6804 -183354.9923 -148833.8058 300.4432 -70.1004 -38.3661 557464.4603 -4.0691 -4.2714 PRESSURE: 3178000 117.923 -179.949 82.4969 -179.949 48.1299 -86.5929 82.4955 -86.5914 132.189 GPRESSURE: 3178000 101.613 -152.582 81.265 -127.537 108.138 -60.7352 4.98047 -25.8257 189.698 PRESSAVG: 3178000 6.73465 -19.8983 23.3551 -19.8983 -36.3706 11.7169 23.3551 11.7169 37.323 GPRESSAVG: 3178000 7.07914 -19.0977 24.5889 -20.3887 -36.2473 9.54646 23.104 12.7269 36.3803 TIMING: 3178000 CPU: 9209.97, 0.0029086/step Wall: 9209.97, 0.00290861/step, 1.47208 hours remaining, 209.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3178000 726.4404 2112.1603 1941.4014 121.0999 -206304.1530 17990.3513 0.0000 0.0000 34439.4592 -148973.2405 300.7684 -183412.6997 -148876.9979 300.1258 99.4139 133.1497 556770.8537 2.5623 2.4041 PRESSURE: 3178200 -96.6393 -26.423 4.35521 -26.4228 18.9853 -115.182 4.35535 -115.183 -138.465 GPRESSURE: 3178200 -89.563 -57.5333 52.877 -45.4462 55.4813 -67.8039 -115.272 -187.545 -67.4724 PRESSAVG: 3178200 -15.2622 -30.8983 77.8774 -30.8983 47.5667 -39.7108 77.8774 -39.7108 -26.2047 GPRESSAVG: 3178200 -15.4155 -31.4211 75.9707 -29.5952 47.7942 -37.2263 78.5305 -39.9881 -25.9623 TIMING: 3178200 CPU: 9210.55, 0.00289029/step Wall: 9210.55, 0.00289029/step, 1.46265 hours remaining, 209.367188 MB of memory in use. ENERGY: 3178200 777.8092 2051.0886 1928.6023 116.7772 -206124.8340 17821.2556 0.0000 0.0000 34362.6302 -149066.6709 300.0974 -183429.3011 -148970.2308 299.4828 -72.0397 -33.8514 557887.9894 2.0333 2.1388 PRESSURE: 3178400 -317.195 -12.6815 -34.4601 -12.6796 -264.003 -143.905 -34.4593 -143.904 26.2286 GPRESSURE: 3178400 -260.744 -48.085 -9.35677 -90.5351 -262.662 -105.263 -49.4689 -196.735 62.0092 PRESSAVG: 3178400 89.5298 15.0741 -3.48471 15.0741 -71.6988 -17.7307 -3.48459 -17.7307 3.5676 GPRESSAVG: 3178400 89.4298 14.327 -2.90919 11.6994 -72.1477 -17.1753 -4.18426 -18.3423 4.25821 TIMING: 3178400 CPU: 9211.13, 0.00290537/step Wall: 9211.13, 0.00290537/step, 1.47012 hours remaining, 209.367188 MB of memory in use. ENERGY: 3178400 727.1437 2037.6725 1961.6995 111.2373 -205412.6944 17313.6278 0.0000 0.0000 34342.1146 -148919.1990 299.9182 -183261.3136 -148822.0378 299.4337 -184.9899 -153.7987 559766.1001 7.1329 7.1801 PRESSURE: 3178600 29.8107 -236.348 -82.8871 -236.348 203.921 45.5559 -82.8867 45.5579 73.2078 GPRESSURE: 3178600 82.009 -178.32 -88.7116 -192.441 221.66 45.2403 -128.14 62.4784 112.94 PRESSAVG: 3178600 54.8055 -4.88861 -13.2545 -4.88858 -61.1252 -27.6001 -13.2544 -27.6001 14.762 GPRESSAVG: 3178600 54.9982 -3.55058 -12.9793 -3.30893 -60.2662 -29.1621 -14.0633 -27.0867 14.5969 TIMING: 3178600 CPU: 9211.72, 0.00291818/step Wall: 9211.72, 0.00291818/step, 1.47644 hours remaining, 209.367188 MB of memory in use. ENERGY: 3178600 749.3067 2089.1017 1946.6204 114.8229 -206174.7686 17851.1940 0.0000 0.0000 34363.8070 -149059.9159 300.1077 -183423.7229 -148962.3006 299.4761 102.3131 138.8695 557872.7347 2.8141 3.1096 PRESSURE: 3178800 -34.6053 99.4885 23.483 99.4888 -117.848 -49.0078 23.4826 -49.008 272.347 GPRESSURE: 3178800 47.1235 118.899 8.89488 100.917 -119.725 -88.1337 46.8678 -45.5311 298.61 PRESSAVG: 3178800 -45.4899 -4.85676 24.6635 -4.85677 30.6319 -26.7156 24.6634 -26.7155 -1.13898 GPRESSAVG: 3178800 -45.3762 -4.60546 22.9298 -4.97951 30.7818 -27.8927 25.2953 -25.6195 -1.56584 TIMING: 3178800 CPU: 9212.3, 0.00290222/step Wall: 9212.3, 0.00290222/step, 1.4682 hours remaining, 209.367188 MB of memory in use. ENERGY: 3178800 765.1247 2049.5211 1934.9137 97.3566 -206128.6865 17877.5269 0.0000 0.0000 34419.1364 -148985.1071 300.5909 -183404.2435 -148889.4955 299.8163 39.9647 75.3361 558290.8251 -5.3323 -5.3867 PRESSURE: 3179000 -256.969 35.6681 -50.66 35.6667 -125.333 -96.1706 -50.6579 -96.1703 -155.068 GPRESSURE: 3179000 -175.432 -7.49305 -101.4 10.0872 -129.311 -91.3989 -82.0216 -18.1106 -124.531 PRESSAVG: 3179000 14.8284 11.1934 21.8173 11.1934 -7.23696 -28.2928 21.8173 -28.293 15.0526 GPRESSAVG: 3179000 16.8547 12.0487 19.77 9.37442 -9.21653 -24.9647 24.9055 -29.8208 15.0488 TIMING: 3179000 CPU: 9212.88, 0.00290036/step Wall: 9212.88, 0.00290036/step, 1.4671 hours remaining, 209.367188 MB of memory in use. ENERGY: 3179000 737.2807 2088.0773 1964.4937 105.0775 -205812.5169 17527.9252 0.0000 0.0000 34353.7407 -149035.9218 300.0198 -183389.6625 -148943.5096 299.9355 -179.1234 -143.0915 558005.2824 7.5480 7.5623 PRESSURE: 3179200 96.66 228.076 -50.5189 228.077 254.776 -120.5 -50.518 -120.501 282.4 GPRESSURE: 3179200 129.816 272.165 -6.93464 213.087 288.66 -94.9825 6.20073 -101.023 311.68 PRESSAVG: 3179200 32.4497 11.8426 -21.9729 11.8426 -30.1953 -12.4794 -21.9729 -12.4794 10.9579 GPRESSAVG: 3179200 30.9831 9.40766 -19.4764 12.9639 -29.8256 -14.5096 -24.4937 -11.6575 11.9276 TIMING: 3179200 CPU: 9213.46, 0.00291611/step Wall: 9213.46, 0.00291611/step, 1.47491 hours remaining, 209.367188 MB of memory in use. ENERGY: 3179200 722.1949 2088.8715 1945.5437 105.9063 -206040.7302 17940.2365 0.0000 0.0000 34238.1941 -148999.7831 299.0107 -183237.9773 -148904.8764 299.8745 211.2786 243.3856 556047.9338 4.4041 4.3617 PRESSURE: 3179400 -193.357 -49.7531 19.9886 -49.752 -65.4845 -64.2063 19.9899 -64.2063 -65.8312 GPRESSURE: 3179400 -173.148 14.0276 -53.8055 -81.5074 -14.1075 -141.344 -27.3071 -25.5096 -54.3356 PRESSAVG: 3179400 48.7175 -33.422 25.2634 -33.4221 -47.0267 -12.8961 25.2634 -12.8961 -21.8433 GPRESSAVG: 3179400 47.6684 -32.9624 23.8534 -32.3241 -45.194 -12.8844 26.3965 -11.9488 -22.1523 TIMING: 3179400 CPU: 9214.04, 0.00291666/step Wall: 9214.04, 0.00291666/step, 1.47502 hours remaining, 209.367188 MB of memory in use. ENERGY: 3179400 796.7735 2104.7211 1956.6684 119.0825 -205712.7468 17749.3737 0.0000 0.0000 34228.1972 -148757.9305 298.9234 -182986.1277 -148664.6947 300.1537 -108.2244 -80.5304 558952.5317 -6.7175 -6.5593 PRESSURE: 3179600 3.04375 -110.953 -15.7699 -110.954 -143.529 -119.364 -15.7699 -119.364 -49.812 GPRESSURE: 3179600 10.8089 -148.177 -72.4425 -160.592 -112.564 -113.217 -12.9038 -190.652 12.4963 PRESSAVG: 3179600 48.4673 -53.2084 -41.9257 -53.2084 -38.7307 -39.3997 -41.9256 -39.3998 -11.0192 GPRESSAVG: 3179600 48.2998 -54.4286 -40.3741 -53.3982 -38.8569 -39.2688 -41.7536 -41.5349 -10.547 TIMING: 3179600 CPU: 9214.63, 0.00290814/step Wall: 9214.63, 0.00290814/step, 1.47055 hours remaining, 209.367188 MB of memory in use. ENERGY: 3179600 742.6277 2134.9602 1955.2247 115.9220 -205557.5274 17502.4754 0.0000 0.0000 34339.9491 -148766.3683 299.8993 -183106.3174 -148666.2062 300.2937 -63.4324 -29.7531 556452.2438 -0.4275 -0.3680 PRESSURE: 3179800 69.746 193.413 171.573 193.413 163.327 -88.1774 171.575 -88.1779 317.189 GPRESSURE: 3179800 157.734 163.266 141.096 222.843 190.642 -9.73485 190.507 -115.992 296.877 PRESSAVG: 3179800 -32.1369 -16.6023 -10.4872 -16.6024 -30.8952 -50.3814 -10.4872 -50.3816 41.9381 GPRESSAVG: 3179800 -30.8126 -14.0169 -12.0129 -17.8238 -30.8532 -48.5343 -10.7791 -48.14 40.5647 TIMING: 3179800 CPU: 9215.21, 0.00289829/step Wall: 9215.21, 0.00289829/step, 1.46541 hours remaining, 209.367188 MB of memory in use. ENERGY: 3179800 750.9073 2093.8421 1976.2467 104.0637 -205951.3618 17940.0778 0.0000 0.0000 34300.3489 -148785.8753 299.5535 -183086.2242 -148682.1869 299.9908 183.4206 215.0841 557035.5315 -7.0313 -7.0337 PRESSURE: 3180000 -22.2384 -388.639 167.109 -388.64 -83.6391 -112.465 167.111 -112.465 66.5132 GPRESSURE: 3180000 -23.3451 -416.696 152.496 -328.742 -74.4483 -81.444 179.778 -115.59 142.622 PRESSAVG: 3180000 0.463025 -9.76055 14.6904 -9.76058 36.4902 29.9079 14.6904 29.908 -8.49982 GPRESSAVG: 3180000 1.19611 -13.0681 16.0713 -7.30979 36.0749 28.8857 14.383 26.7313 -8.19783 TIMING: 3180000 CPU: 9215.78, 0.00289359/step Wall: 9215.78, 0.00289359/step, 1.46287 hours remaining, 209.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3180000 734.9554 2104.3230 1967.1896 115.0571 -205954.8378 17758.1206 0.0000 0.0000 34270.6567 -149004.5353 299.2942 -183275.1921 -148903.9045 300.0506 -13.1215 14.9429 557269.0315 9.4845 9.6911 PRESSURE: 3180200 215.211 -69.8575 163.255 -69.8585 -242.144 199.989 163.255 199.99 -131.138 GPRESSURE: 3180200 257.296 -15.8145 201.317 -56.3237 -211.936 266.117 107.649 185.743 -101.663 PRESSAVG: 3180200 -16.8738 -43.0985 44.4601 -43.0985 53.6094 -18.3728 44.4601 -18.3728 39.4156 GPRESSAVG: 3180200 -18.2344 -41.2262 45.1778 -43.8973 54.5209 -19.0644 43.0426 -16.8288 40.2948 TIMING: 3180200 CPU: 9216.36, 0.00288902/step Wall: 9216.36, 0.00288901/step, 1.4604 hours remaining, 209.367188 MB of memory in use. ENERGY: 3180200 730.9896 2101.2991 1956.9738 117.8776 -205760.1925 17616.3636 0.0000 0.0000 34338.6042 -148898.0846 299.8876 -183236.6888 -148805.4208 300.4552 -52.6899 -18.7676 557165.2061 25.3837 25.5271 LDB: ============= START OF LOAD BALANCING ============== 9219.75 LDB: ============== END OF LOAD BALANCING =============== 9219.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9219.75 LDB: ============= START OF LOAD BALANCING ============== 9220.04 LDB: Largest compute 4801 load 0.021466 is 18.2% of average load 0.117971 LDB: Average compute 0.001737 is 1.5% of average load 0.117971 LDB: TIME 9220.04 LOAD: AVG 0.117971 MAX 0.180757 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.164 MB LDB: TIME 9220.04 LOAD: AVG 0.117971 MAX 0.180757 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.164 MB LDB: TIME 9220.04 LOAD: AVG 0.117971 MAX 0.180757 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9220.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9220.05 PRESSURE: 3180400 -88.6169 -7.78678 -49.8867 -7.78621 -143.051 70.4824 -49.8865 70.4835 14.7523 GPRESSURE: 3180400 -69.5108 -31.3074 -53.2438 -11.4331 -96.0679 103.921 -7.43853 42.7257 37.6805 PRESSAVG: 3180400 -12.9244 -61.1116 60.5628 -61.1116 16.3083 -22.9335 60.5628 -22.9336 3.3731 GPRESSAVG: 3180400 -13.7291 -62.7346 59.0389 -60.581 16.227 -25.1252 60.672 -22.4706 4.57527 TIMING: 3180400 CPU: 9216.95, 0.00294858/step Wall: 9216.95, 0.00294858/step, 1.49034 hours remaining, 211.527344 MB of memory in use. ENERGY: 3180400 742.8208 2160.7459 1973.3648 113.4707 -206067.5729 17677.9248 0.0000 0.0000 34448.3846 -148950.8612 300.8463 -183399.2458 -148863.2707 300.0742 -72.3053 -42.6327 557495.0182 2.2523 2.3577 PRESSURE: 3180600 -74.4008 34.4082 68.0061 34.4098 -70.6531 41.3911 68.005 41.39 -37.2142 GPRESSURE: 3180600 -16.928 -9.55003 46.5785 -35.6867 -95.5896 87.122 135.827 82.6175 22.6108 PRESSAVG: 3180600 25.7266 0.150244 40.9085 0.150154 -27.1888 25.7072 40.9086 25.7072 32.8764 GPRESSAVG: 3180600 26.3855 -0.571885 39.8419 0.00898968 -27.6146 27.8559 43.4712 26.9908 31.9789 TIMING: 3180600 CPU: 9217.53, 0.00288212/step Wall: 9217.53, 0.00288212/step, 1.45659 hours remaining, 211.527344 MB of memory in use. ENERGY: 3180600 751.1075 2086.8721 1929.5276 115.0604 -205765.6252 17690.3303 0.0000 0.0000 34339.2807 -148853.4467 299.8935 -183192.7274 -148758.9581 300.5144 -60.7560 -29.9689 558249.3344 10.4714 10.2499 PRESSURE: 3180800 82.3799 111.765 25.8806 111.766 -16.7938 -101.598 25.8815 -101.598 160.113 GPRESSURE: 3180800 129.853 135.708 11.8832 157.836 36.4759 -72.5931 10.605 -211.063 173.451 PRESSAVG: 3180800 -34.5895 24.7425 31.8584 24.7425 26.1581 20.842 31.8584 20.8421 -18.8478 GPRESSAVG: 3180800 -33.8975 24.1675 33.5654 25.451 25.1454 21.9008 29.9717 19.0777 -18.2724 TIMING: 3180800 CPU: 9218.11, 0.00289277/step Wall: 9218.11, 0.00289277/step, 1.46181 hours remaining, 211.527344 MB of memory in use. ENERGY: 3180800 771.1635 2135.9515 1949.1501 113.5757 -206275.3424 17993.4191 0.0000 0.0000 34518.6783 -148793.4043 301.4602 -183312.0826 -148688.5744 300.6739 75.2331 113.2602 557922.1840 -9.0930 -9.0082 PRESSURE: 3181000 -1.61776 256.721 -18.4735 256.72 221.677 93.5306 -18.4732 93.5294 246.955 GPRESSURE: 3181000 -7.81067 284.492 -34.9313 229.724 248.778 93.5424 27.5875 58.8529 315.351 PRESSAVG: 3181000 -9.4357 7.11205 2.86122 7.11204 16.2219 -27.2344 2.86112 -27.2343 79.1522 GPRESSAVG: 3181000 -9.82759 7.97169 2.17163 5.57665 17.9488 -29.8479 4.90112 -25 78.0953 TIMING: 3181000 CPU: 9218.69, 0.00288988/step Wall: 9218.69, 0.00288988/step, 1.46019 hours remaining, 211.527344 MB of memory in use. ENERGY: 3181000 689.9548 2067.7526 1962.2056 114.3109 -206143.8220 17829.6844 0.0000 0.0000 34504.8460 -148975.0677 301.3394 -183479.9137 -148869.6457 300.2668 155.6715 185.4395 555756.6563 28.6461 28.7388 PRESSURE: 3181200 -65.4394 140.098 55.1472 140.099 36.3625 23.5452 55.1474 23.5451 71.7106 GPRESSURE: 3181200 -65.9202 198.297 77.3011 55.1335 25.0238 3.06091 129.147 63.5951 178.898 PRESSAVG: 3181200 -96.4176 45.0506 -35.0261 45.0506 -13.9269 30.0027 -35.0262 30.0027 113.694 GPRESSAVG: 3181200 -95.8492 46.4812 -36.0909 44.9726 -14.3017 30.1339 -36.8069 28.7283 113.483 TIMING: 3181200 CPU: 9219.26, 0.00289531/step Wall: 9219.26, 0.00289531/step, 1.46277 hours remaining, 211.527344 MB of memory in use. ENERGY: 3181200 726.4624 2148.3807 1963.3087 109.2904 -206086.7162 17760.4347 0.0000 0.0000 34464.8947 -148913.9447 300.9905 -183378.8394 -148815.5826 299.9531 14.2112 46.0006 557055.5923 1.1165 1.1107 PRESSURE: 3181400 -326.153 62.293 -41.1417 62.2927 -369.153 116.51 -41.1429 116.51 -144.408 GPRESSURE: 3181400 -277.959 -1.92261 -47.0139 53.0579 -368.497 49.1818 -29.3368 83.5204 -104.821 PRESSAVG: 3181400 -28.9532 -2.46715 9.28416 -2.46708 -5.19209 -30.9995 9.28418 -30.9996 5.14369 GPRESSAVG: 3181400 -29.6027 -2.28163 11.0501 -2.58305 -5.78083 -32.9116 8.17805 -30.766 5.75547 TIMING: 3181400 CPU: 9219.84, 0.00288724/step Wall: 9219.84, 0.00288724/step, 1.45854 hours remaining, 211.527344 MB of memory in use. ENERGY: 3181400 713.0150 2134.4348 1944.8565 113.7228 -205990.0242 17550.2909 0.0000 0.0000 34444.0819 -149089.6223 300.8087 -183533.7042 -148993.2006 299.6076 -279.9045 -250.4257 558725.6628 -9.6672 -9.8760 PRESSURE: 3181600 142.441 85.5831 -18.6845 85.5818 -33.1958 -115.48 -18.6837 -115.48 -73.1423 GPRESSURE: 3181600 189.832 164.517 -56.7487 -20.1721 -27.904 -21.5183 -59.6638 -84.198 -28.9897 PRESSAVG: 3181600 -36.973 28.0782 -8.14769 28.0781 25.9125 29.2978 -8.14768 29.2979 6.06295 GPRESSAVG: 3181600 -37.9463 26.6489 -9.45521 28.5985 26.551 33.6219 -6.90208 28.2376 6.04021 TIMING: 3181600 CPU: 9220.42, 0.00290435/step Wall: 9220.42, 0.00290435/step, 1.46702 hours remaining, 211.527344 MB of memory in use. ENERGY: 3181600 773.0791 2102.9908 1938.9583 111.5275 -206072.5844 17924.5757 0.0000 0.0000 34210.8357 -149010.6171 298.7717 -183221.4529 -148913.7313 299.2293 12.0344 44.3127 558028.7795 -1.6659 -1.7850 PRESSURE: 3181800 -0.283284 33.9856 -129.856 33.9863 110.168 40.5328 -129.857 40.5325 283.312 GPRESSURE: 3181800 18.6364 92.6087 -170.793 -28.35 137.148 89.0143 -59.9818 32.1392 332.883 PRESSAVG: 3181800 -15.6448 -5.7855 24.5067 -5.78552 -65.5929 14.7286 24.5067 14.7286 58.3633 GPRESSAVG: 3181800 -14.9293 -5.19247 24.0087 -6.20993 -66.6761 14.9335 23.8327 14.6984 59.779 TIMING: 3181800 CPU: 9221, 0.00289389/step Wall: 9221, 0.00289389/step, 1.46158 hours remaining, 211.527344 MB of memory in use. ENERGY: 3181800 732.5771 2112.7310 1947.9942 119.6212 -205946.1887 17835.9873 0.0000 0.0000 34244.9156 -148952.3622 299.0694 -183197.2779 -148859.5514 300.4089 131.0656 162.8892 557138.5850 -7.6248 -7.2755 PRESSURE: 3182000 374.309 43.057 109.271 43.057 -89.2069 5.06451 109.27 5.06496 99.4824 GPRESSURE: 3182000 434.501 -32.8226 105.831 80.8089 -84.8633 125.999 111.248 -81.135 137.218 PRESSAVG: 3182000 -0.573381 -4.32625 -4.62585 -4.32624 -26.0396 -29.5412 -4.62583 -29.5412 52.9875 GPRESSAVG: 3182000 0.906928 -3.4114 -1.88867 -4.53623 -25.3123 -30.8578 -4.85193 -30.1592 51.2617 TIMING: 3182000 CPU: 9221.58, 0.00288941/step Wall: 9221.58, 0.00288941/step, 1.45915 hours remaining, 211.527344 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: 3182000 713.7388 2086.3572 1974.2560 110.1677 -206218.2627 18016.6795 0.0000 0.0000 34198.0513 -149119.0123 298.6601 -183317.0635 -149021.7215 299.6978 128.1948 162.2851 556844.3017 8.7915 8.9521 PRESSURE: 3182200 61.2019 -146.26 -14.2156 -146.259 -109.845 -44.5175 -14.2153 -44.5164 -28.751 GPRESSURE: 3182200 58.0422 -178.057 -21.9193 -171.349 -47.8264 25.5203 -92.0283 -22.0934 11.7923 PRESSAVG: 3182200 -3.14412 -29.7474 -24.3527 -29.7474 -43.9513 -1.15786 -24.3528 -1.15798 71.3561 GPRESSAVG: 3182200 -4.77828 -30.0577 -25.6203 -29.9976 -44.2123 -2.00179 -24.6376 -0.155529 73.0437 TIMING: 3182200 CPU: 9222.15, 0.0028768/step Wall: 9222.15, 0.0028768/step, 1.45262 hours remaining, 211.527344 MB of memory in use. ENERGY: 3182200 726.8475 2130.8938 1973.5276 107.8690 -206306.5147 17741.8033 0.0000 0.0000 34469.6316 -149155.9419 301.0319 -183625.5735 -149056.5838 299.2903 -25.7979 7.3360 556956.2879 8.0869 8.0177 PRESSURE: 3182400 20.5516 19.6919 -121.427 19.6912 -122.368 17.9409 -121.428 17.9409 -165.298 GPRESSURE: 3182400 66.7809 -27.713 -225.902 79.759 -78.3279 20.8415 -76.6396 -12.6083 -175.557 PRESSAVG: 3182400 39.5973 -1.14376 -18.9041 -1.14378 -12.01 -16.2444 -18.904 -16.2444 -30.454 GPRESSAVG: 3182400 39.8822 -1.53344 -20.2272 1.92689 -12.1997 -14.3393 -19.3062 -15.8312 -30.9726 TIMING: 3182400 CPU: 9222.73, 0.00287281/step Wall: 9222.73, 0.00287281/step, 1.45045 hours remaining, 211.527344 MB of memory in use. ENERGY: 3182400 702.8405 2129.1073 1980.8501 104.5334 -205883.9150 17681.3663 0.0000 0.0000 34070.2372 -149214.9802 297.5439 -183285.2174 -149123.8302 299.0408 -89.0382 -62.3682 558476.3250 -0.9555 -1.0967 PRESSURE: 3182600 -41.1244 -49.4816 -18.9827 -49.4817 155.525 82.8423 -18.9836 82.8418 140.817 GPRESSURE: 3182600 -7.14515 -61.0175 -52.9383 -53.994 192.964 90.5576 -15.5605 84.3184 162.179 PRESSAVG: 3182600 39.7487 -29.6164 7.39778 -29.6165 -29.5976 -23.0731 7.39765 -23.0732 -41.2909 GPRESSAVG: 3182600 39.476 -29.5934 8.01435 -31.8505 -28.8768 -23.8192 10.0891 -24.4295 -41.0992 TIMING: 3182600 CPU: 9223.31, 0.00288389/step Wall: 9223.31, 0.00288389/step, 1.45589 hours remaining, 211.527344 MB of memory in use. ENERGY: 3182600 705.0789 2073.4249 1961.6192 124.1312 -205936.8970 17732.2214 0.0000 0.0000 34262.9770 -149077.4445 299.2271 -183340.4214 -148981.6449 299.3434 85.0726 115.9991 557131.1429 -10.3799 -10.1666 PRESSURE: 3182800 229.405 6.85491 48.2684 6.85538 -55.1074 54.6818 48.2697 54.6819 63.6529 GPRESSURE: 3182800 321.833 -21.522 39.122 70.6441 -42.4208 -72.9311 43.6767 139.294 42.6299 PRESSAVG: 3182800 21.7661 63.475 -30.6358 63.4749 -19.2344 10.1753 -30.6358 10.1752 14.7242 GPRESSAVG: 3182800 22.6456 64.0575 -30.3313 64.4878 -20.2486 9.99249 -31.7195 10.8372 14.7254 TIMING: 3182800 CPU: 9223.88, 0.00289266/step Wall: 9223.88, 0.00289266/step, 1.46015 hours remaining, 211.527344 MB of memory in use. ENERGY: 3182800 761.1855 2079.6933 1968.5699 119.4920 -206240.4808 17993.3546 0.0000 0.0000 34251.8489 -149066.3365 299.1299 -183318.1854 -148967.7019 299.6769 79.3170 107.3473 557058.6058 5.7520 5.7074 PRESSURE: 3183000 -45.2443 100.67 142.749 100.671 155.685 62.6347 142.749 62.6336 161.06 GPRESSURE: 3183000 7.11371 219.492 148.263 7.39156 147.938 -10.6579 112.003 113.128 219.007 PRESSAVG: 3183000 30.9285 56.5042 7.79189 56.5043 -66.8069 6.83576 7.79187 6.83579 65.7344 GPRESSAVG: 3183000 29.1362 57.3134 9.70554 54.6957 -65.404 7.07962 6.52009 6.08764 66.507 TIMING: 3183000 CPU: 9224.46, 0.00288903/step Wall: 9224.46, 0.00288903/step, 1.45816 hours remaining, 211.527344 MB of memory in use. ENERGY: 3183000 726.6120 2132.4618 1948.0404 115.5776 -206257.0827 17988.9092 0.0000 0.0000 34237.3341 -149108.1477 299.0032 -183345.4817 -149000.7170 299.6515 90.5001 124.6865 558175.9358 9.9520 10.0798 PRESSURE: 3183200 55.8346 11.8135 -53.8696 11.8132 123.04 -33.9545 -53.8687 -33.9528 122.778 GPRESSURE: 3183200 62.4827 -44.7275 -105.002 36.5606 219.355 -27.4948 -26.1292 -43.6422 97.8438 PRESSAVG: 3183200 -32.2545 62.8724 15.7098 62.8724 -36.7418 15.1517 15.7098 15.1516 64.1312 GPRESSAVG: 3183200 -31.873 61.0658 13.5257 62.9891 -37.458 13.8561 18.7015 15.1492 64.6661 TIMING: 3183200 CPU: 9225.04, 0.00288664/step Wall: 9225.04, 0.00288664/step, 1.45679 hours remaining, 211.527344 MB of memory in use. ENERGY: 3183200 758.0585 2085.0015 1948.3819 109.8143 -206493.7070 18027.1376 0.0000 0.0000 34404.7178 -149160.5954 300.4650 -183565.3132 -149064.0173 299.6151 100.5508 126.5606 557571.5455 -1.6217 -1.5550 PRESSURE: 3183400 -67.1018 116.485 72.3726 116.484 130.362 -54.754 72.3715 -54.7551 117.264 GPRESSURE: 3183400 -7.42393 44.1268 79.3287 67.0297 144.72 -28.1584 93.0648 -183.226 149.856 PRESSAVG: 3183400 5.07185 -16.274 14.0435 -16.274 -1.92212 -19.0238 14.0434 -19.0239 -36.1212 GPRESSAVG: 3183400 6.01346 -16.3519 11.8217 -14.9544 -1.63761 -17.4719 13.0256 -18.5226 -37.5059 TIMING: 3183400 CPU: 9225.62, 0.0029032/step Wall: 9225.62, 0.0029032/step, 1.46499 hours remaining, 211.527344 MB of memory in use. ENERGY: 3183400 713.5448 2098.4782 1964.2883 115.8066 -205778.2114 17637.2098 0.0000 0.0000 34215.6865 -149033.1971 298.8141 -183248.8836 -148933.8645 299.8674 60.1747 95.7175 557797.5794 -10.9905 -11.0434 PRESSURE: 3183600 -72.5491 114.338 114.294 114.339 128.368 133.359 114.295 133.36 -164.381 GPRESSURE: 3183600 -9.00205 64.5787 194.709 196.029 173.228 170.405 109.501 112.746 -169.693 PRESSAVG: 3183600 4.70044 29.7096 68.5338 29.7096 17.9435 15.4509 68.5338 15.4508 21.7905 GPRESSAVG: 3183600 3.89111 30.729 72.6747 30.2586 16.762 14.0442 66.1174 16.3047 23.7037 TIMING: 3183600 CPU: 9226.2, 0.0029104/step Wall: 9226.2, 0.0029104/step, 1.46846 hours remaining, 211.527344 MB of memory in use. ENERGY: 3183600 702.3300 2071.8108 1923.2387 112.3641 -205773.4617 17585.8877 0.0000 0.0000 34380.4152 -148997.4152 300.2527 -183377.8304 -148892.4620 299.8278 -36.1873 -1.8223 558532.8876 14.8115 14.7856 PRESSURE: 3183800 -193.871 -48.9298 -177.963 -48.9297 -178.055 -25.9206 -177.963 -25.9198 129.795 GPRESSURE: 3183800 -95.3698 -27.7198 -170.649 -132.395 -136.059 12.8619 -153.049 27.6704 91.2591 PRESSAVG: 3183800 14.0157 19.4443 49.0554 19.4444 -55.7055 -7.86842 49.0553 -7.8684 10.6098 GPRESSAVG: 3183800 14.5294 19.8918 46.874 16.796 -56.5008 -6.30451 49.0879 -9.7605 10.0601 TIMING: 3183800 CPU: 9226.79, 0.0029204/step Wall: 9226.79, 0.0029204/step, 1.47334 hours remaining, 211.527344 MB of memory in use. ENERGY: 3183800 719.5121 2081.2935 1941.2108 111.1930 -205986.9904 17729.7307 0.0000 0.0000 34346.2744 -149057.7759 299.9546 -183404.0503 -148963.9606 299.9618 -80.7104 -46.7231 558189.1305 -10.3600 -10.6371 PRESSURE: 3184000 -159.291 25.4989 -65.732 25.4968 -11.9315 118.474 -65.7324 118.476 170.249 GPRESSURE: 3184000 -115.587 27.5799 -115.522 66.6014 -21.2781 143.54 -51.5038 49.1383 237.465 PRESSAVG: 3184000 88.6872 27.911 -40.4651 27.911 -67.9536 3.30724 -40.4651 3.30729 1.09817 GPRESSAVG: 3184000 88.1945 28.0335 -37.1019 30.0769 -67.8316 3.17617 -40.1355 3.63415 1.43168 TIMING: 3184000 CPU: 9227.37, 0.0029183/step Wall: 9227.37, 0.0029183/step, 1.47212 hours remaining, 211.527344 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: 3184000 763.1927 2135.3816 1959.0739 124.2199 -206071.2441 17753.5315 0.0000 0.0000 34430.4026 -148905.4419 300.6893 -183335.8445 -148809.1704 300.8369 -0.3248 33.5332 558316.3504 7.2773 7.2649 PRESSURE: 3184200 -269.412 -44.8747 86.5424 -44.8757 -34.6322 -5.0922 86.5432 -5.09233 -253.563 GPRESSURE: 3184200 -227.574 -66.343 84.2725 -65.9572 7.21142 3.70387 177.034 -14.0975 -242.671 PRESSAVG: 3184200 -2.65897 -28.5903 -9.56852 -28.5904 -20.8275 -9.91669 -9.56864 -9.91669 44.8306 GPRESSAVG: 3184200 -2.97038 -29.0521 -11.5124 -30.358 -18.9019 -10.2861 -9.20851 -10.6943 42.713 TIMING: 3184200 CPU: 9227.95, 0.00289672/step Wall: 9227.95, 0.00289672/step, 1.46107 hours remaining, 211.527344 MB of memory in use. ENERGY: 3184200 730.8896 2117.7202 1950.7093 108.9924 -206083.6259 17584.7918 0.0000 0.0000 34591.0343 -148999.4882 302.0921 -183590.5225 -148905.2776 300.2800 -185.8693 -154.3446 558384.9293 7.1147 6.9469 LDB: ============= START OF LOAD BALANCING ============== 9231.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9231.34 LDB: =============== DONE WITH MIGRATION ================ 9231.34 LDB: ============= START OF LOAD BALANCING ============== 9231.63 LDB: Largest compute 4800 load 0.021047 is 17.8% of average load 0.118002 LDB: Average compute 0.001744 is 1.5% of average load 0.118002 LDB: TIME 9231.63 LOAD: AVG 0.118002 MAX 0.180676 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.707 MB LDB: TIME 9231.63 LOAD: AVG 0.118002 MAX 0.180676 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: TIME 9231.63 LOAD: AVG 0.118002 MAX 0.180676 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9231.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9231.64 PRESSURE: 3184400 328.6 38.9526 37.6716 38.9523 -3.24383 109.945 37.6714 109.944 178.59 GPRESSURE: 3184400 351.163 40.266 101.524 34.9669 34.6142 67.2596 27.9731 225.274 214.816 PRESSAVG: 3184400 5.29573 30.2763 44.2763 30.2763 9.10816 71.2186 44.2763 71.2186 -11.1673 GPRESSAVG: 3184400 5.3267 28.7052 45.2076 31.0719 7.18465 72.1553 44.8452 71.4076 -8.95078 TIMING: 3184400 CPU: 9228.54, 0.00296503/step Wall: 9228.54, 0.00296502/step, 1.49536 hours remaining, 209.417969 MB of memory in use. ENERGY: 3184400 710.9961 2116.7731 1938.4554 101.3931 -206329.5822 17994.2493 0.0000 0.0000 34390.9647 -149076.7506 300.3448 -183467.7152 -148981.1667 299.8473 167.9821 200.1978 558141.1297 1.0789 1.1869 PRESSURE: 3184600 -195.951 84.4127 -124.412 84.4123 29.2208 27.3752 -124.412 27.3762 197.005 GPRESSURE: 3184600 -205.31 97.2397 -100.433 99.2582 88.1347 -122.188 -181.92 78.5917 241.234 PRESSAVG: 3184600 -23.9481 12.5855 76.8907 12.5854 55.4856 30.2796 76.8906 30.2799 24.0101 GPRESSAVG: 3184600 -24.1777 14.8746 75.0193 11.3713 55.6805 30.1527 77.0523 31.1811 23.4262 TIMING: 3184600 CPU: 9229.12, 0.00289831/step Wall: 9229.12, 0.00289831/step, 1.46155 hours remaining, 209.417969 MB of memory in use. ENERGY: 3184600 723.8599 2104.6028 1924.1960 112.0401 -206000.1410 17729.4875 0.0000 0.0000 34174.2817 -149231.6731 298.4525 -183405.9548 -149137.6497 299.3431 10.0914 41.3530 558433.5552 18.5158 18.3097 PRESSURE: 3184800 -451.266 60.1442 -89.9522 60.1439 22.1581 129.462 -89.9521 129.462 -192.648 GPRESSURE: 3184800 -392.081 -1.27468 -12.467 109.41 68.7913 19.9785 -166.453 225.069 -198.474 PRESSAVG: 3184800 -65.5209 31.2375 42.0096 31.2376 48.4579 11.0702 42.0095 11.07 28.1496 GPRESSAVG: 3184800 -65.0219 30.5831 42.5298 32.7833 48.7508 10.28 42.4994 11.4418 27.5222 TIMING: 3184800 CPU: 9229.7, 0.00288238/step Wall: 9229.7, 0.00288238/step, 1.45336 hours remaining, 209.417969 MB of memory in use. ENERGY: 3184800 747.6021 2042.9431 1956.9390 110.0250 -205964.5278 17617.1369 0.0000 0.0000 34229.1382 -149260.7435 298.9316 -183489.8817 -149159.3993 299.2223 -207.2520 -173.9213 558178.4353 3.6955 3.7504 PRESSURE: 3185000 -96.4156 -19.969 20.524 -19.9685 -228.088 -70.29 20.5247 -70.2893 -95.6209 GPRESSURE: 3185000 -52.2507 12.7987 -3.45435 -125.546 -235.849 -87.8571 31.1222 -32.1149 -32.3218 PRESSAVG: 3185000 39.0026 10.488 22.0379 10.488 35.7462 23.1502 22.0379 23.1501 -32.8749 GPRESSAVG: 3185000 38.8291 10.9038 21.3002 8.27734 35.7519 22.7927 22.0788 20.8492 -32.8681 TIMING: 3185000 CPU: 9230.28, 0.00291649/step Wall: 9230.28, 0.00291649/step, 1.4704 hours remaining, 209.417969 MB of memory in use. ENERGY: 3185000 714.3881 2064.8321 1968.2660 118.5805 -206214.0621 17706.7084 0.0000 0.0000 34300.1172 -149341.1698 299.5515 -183641.2870 -149240.1268 299.0841 -140.0415 -106.8071 557982.5824 13.9580 13.9043 PRESSURE: 3185200 323.167 -28.4932 -94.0552 -28.494 -176.797 31.553 -94.0531 31.5535 123.768 GPRESSURE: 3185200 388.138 4.53367 -143.205 0.945169 -134.501 53.5329 -82.2062 31.685 109.301 PRESSAVG: 3185200 -30.2496 -20.1597 25.1265 -20.1597 -38.8366 -29.4661 25.1266 -29.466 56.7477 GPRESSAVG: 3185200 -30.0602 -19.8414 27.1716 -19.8821 -38.4832 -29.1691 23.7695 -28.5953 56.2811 TIMING: 3185200 CPU: 9230.87, 0.00291734/step Wall: 9230.87, 0.00291734/step, 1.47066 hours remaining, 209.417969 MB of memory in use. ENERGY: 3185200 739.7633 2071.8543 1946.2999 119.3191 -206392.0330 17956.6057 0.0000 0.0000 34257.2574 -149300.9333 299.1771 -183558.1907 -149199.7743 298.5458 90.0464 120.9793 558037.2447 -4.1129 -4.0874 PRESSURE: 3185400 85.0919 61.7189 57.2783 61.7185 -97.9364 225.812 57.2784 225.812 13.8374 GPRESSURE: 3185400 101.679 145.212 51.3946 96.1876 -28.943 211.309 28.2253 59.3714 12.1083 PRESSAVG: 3185400 2.8508 -12.4553 6.7416 -12.4553 16.983 28.8034 6.74158 28.8035 3.059 GPRESSAVG: 3185400 1.34422 -14.7607 6.66958 -10.9535 16.6813 29.5705 9.05653 29.8603 4.15017 TIMING: 3185400 CPU: 9231.45, 0.00291204/step Wall: 9231.45, 0.00291204/step, 1.46783 hours remaining, 209.417969 MB of memory in use. ENERGY: 3185400 731.7558 2094.0327 1970.9409 121.8206 -206208.7462 17796.5208 0.0000 0.0000 34148.2408 -149345.4346 298.2251 -183493.6754 -149243.0417 299.0761 0.3310 28.2814 558416.9879 7.6309 7.3919 PRESSURE: 3185600 393.763 79.9692 -60.1992 79.9709 221.703 177.021 -60.1999 177.02 167.686 GPRESSURE: 3185600 443.788 90.1609 -67.5858 168.381 268.702 147.47 -41.1281 205.756 178.157 PRESSAVG: 3185600 99.5149 33.4552 30.129 33.4552 -19.4065 -12.0966 30.129 -12.0966 -95.849 GPRESSAVG: 3185600 100.131 34.5819 30.8058 32.3983 -19.9245 -13.5956 28.8768 -10.929 -95.7527 TIMING: 3185600 CPU: 9232.03, 0.00288888/step Wall: 9232.03, 0.00288888/step, 1.45599 hours remaining, 209.417969 MB of memory in use. ENERGY: 3185600 733.1822 2134.6817 1964.3270 116.5303 -206920.8363 18330.3116 0.0000 0.0000 34274.2757 -149367.5278 299.3258 -183641.8035 -149279.8057 298.4570 261.0506 296.8825 557270.7111 -5.2468 -5.1820 PRESSURE: 3185800 107.961 266.106 -137.478 266.106 46.9907 46.506 -137.478 46.5036 70.3897 GPRESSURE: 3185800 92.4325 191.06 -136.005 198.82 63.9545 41.7337 -87.8044 67.7025 159.826 PRESSAVG: 3185800 36.2029 -25.077 3.50563 -25.077 11.1871 -22.5465 3.50558 -22.5464 -59.6659 GPRESSAVG: 3185800 35.968 -27.1578 1.56691 -22.5238 12.4657 -24.2483 2.41408 -21.3345 -60.8878 TIMING: 3185800 CPU: 9232.6, 0.00289153/step Wall: 9232.6, 0.00289153/step, 1.45717 hours remaining, 209.417969 MB of memory in use. ENERGY: 3185800 681.8917 2079.8392 1955.0098 104.5143 -206027.1454 17663.7759 0.0000 0.0000 34288.9228 -149253.1915 299.4537 -183542.1144 -149149.8761 298.5135 75.1137 105.4045 556849.6262 -4.0919 -4.1514 PRESSURE: 3186000 -241.729 -169.274 55.0068 -169.273 -55.2888 21.1425 55.0063 21.1431 -55.0592 GPRESSURE: 3186000 -197.332 -84.8296 114.765 -205.235 -40.0993 5.48411 82.5252 -49.9316 -7.68315 PRESSAVG: 3186000 10.4167 10.3981 53.1459 10.398 -28.8254 -17.7566 53.1458 -17.7566 -30.6663 GPRESSAVG: 3186000 10.6288 13.0423 54.5101 8.63224 -29.3237 -18.6356 53.8362 -17.5398 -29.9207 TIMING: 3186000 CPU: 9233.18, 0.00288677/step Wall: 9233.18, 0.00288677/step, 1.45461 hours remaining, 209.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3186000 743.9573 2097.2242 1948.5949 120.7778 -206311.5763 17818.3026 0.0000 0.0000 34205.3021 -149377.4175 298.7234 -183582.7196 -149276.7234 298.4247 -117.3591 -81.7049 559111.5298 -16.3584 -16.2052 PRESSURE: 3186200 -21.0499 94.201 98.8317 94.2012 -51.6411 -5.66722 98.8307 -5.6653 -81.1011 GPRESSURE: 3186200 16.5716 69.6523 84.5526 108.604 -98.4635 1.8895 35.2987 -70.6717 24.6065 PRESSAVG: 3186200 12.0195 7.30172 9.53634 7.30172 -25.1856 -8.19899 9.53634 -8.19896 -13.8527 GPRESSAVG: 3186200 11.6459 6.14813 9.27575 5.42965 -25.2503 -7.36251 11.2214 -6.56242 -13.2242 TIMING: 3186200 CPU: 9233.76, 0.00290391/step Wall: 9233.76, 0.00290391/step, 1.46309 hours remaining, 209.417969 MB of memory in use. ENERGY: 3186200 760.2388 2112.8229 1964.1142 110.0919 -206405.4109 17964.8828 0.0000 0.0000 34176.4955 -149316.7648 298.4718 -183493.2603 -149221.4992 298.6080 -51.2640 -19.0951 558259.1710 -9.0063 -8.9429 PRESSURE: 3186400 35.759 -95.8796 66.7305 -95.8793 62.8884 41.4737 66.7298 41.4729 -247.472 GPRESSURE: 3186400 62.2826 -0.543396 51.8603 -107.703 100.065 150.255 1.95805 1.59624 -212.871 PRESSAVG: 3186400 -36.5187 -1.08922 -7.8953 -1.08912 58.7575 13.9449 -7.89523 13.9448 -33.1384 GPRESSAVG: 3186400 -35.9731 -0.427123 -8.96568 -0.56387 59.1758 16.3073 -8.38027 11.2058 -34.0867 TIMING: 3186400 CPU: 9234.34, 0.00289439/step Wall: 9234.34, 0.00289439/step, 1.45813 hours remaining, 209.417969 MB of memory in use. ENERGY: 3186400 745.6927 2094.2631 1979.8786 130.3060 -206273.8084 17768.3141 0.0000 0.0000 34288.0418 -149267.3120 299.4460 -183555.3539 -149179.8281 299.2619 -49.6083 -16.8411 557007.5001 -3.6332 -3.6280 PRESSURE: 3186600 55.261 -30.2359 -140.647 -30.2352 43.3253 9.66509 -140.647 9.66539 82.7189 GPRESSURE: 3186600 131.231 74.8584 -141.104 -180.885 0.0584862 -10.7449 -216.632 0.254906 146.081 PRESSAVG: 3186600 43.1175 45.2125 15.587 45.2125 -54.7413 13.0697 15.5871 13.0697 5.05402 GPRESSAVG: 3186600 43.1535 45.245 18.1595 45.0191 -54.7398 11.758 12 12.6593 4.99413 TIMING: 3186600 CPU: 9234.92, 0.00288151/step Wall: 9234.92, 0.00288151/step, 1.45148 hours remaining, 209.621094 MB of memory in use. ENERGY: 3186600 733.8164 2082.7216 1964.0953 113.7583 -206139.7299 17771.3335 0.0000 0.0000 34172.9402 -149301.0646 298.4408 -183474.0048 -149208.1954 299.1397 60.4350 92.4568 556349.9757 -2.1899 -2.1974 PRESSURE: 3186800 -194.114 66.6973 -189.28 66.6974 -153.176 130.968 -189.279 130.969 -100.474 GPRESSURE: 3186800 -190.498 131.769 -106.3 110.722 -82.8531 55.7061 -229.634 176.937 -84.4628 PRESSAVG: 3186800 -52.1719 -7.83698 -37.8419 -7.83701 67.8912 29.1035 -37.8418 29.1034 30.5999 GPRESSAVG: 3186800 -51.5864 -7.36691 -39.1074 -5.32065 67.2457 30.0802 -34.7951 29.6076 30.6316 TIMING: 3186800 CPU: 9235.49, 0.00287711/step Wall: 9235.49, 0.00287711/step, 1.4491 hours remaining, 209.621094 MB of memory in use. ENERGY: 3186800 795.5994 2090.5352 1984.3180 110.4945 -206117.7254 17678.7074 0.0000 0.0000 34131.9364 -149326.1347 298.0827 -183458.0711 -149220.2447 298.7769 -149.2543 -119.2713 558354.2201 15.4397 15.4303 PRESSURE: 3187000 -130.901 89.1596 231.296 89.1599 -180.469 12.488 231.296 12.4859 -196.656 GPRESSURE: 3187000 -116.064 94.2353 276.211 142.895 -123.472 -28.9266 131.993 -82.119 -174.042 PRESSAVG: 3187000 21.739 59.7688 6.68523 59.7688 11.4977 13.932 6.68517 13.932 -18.0925 GPRESSAVG: 3187000 23.4602 57.8371 6.16347 60.4888 10.7949 12.2498 7.39501 13.9992 -18.6534 TIMING: 3187000 CPU: 9236.07, 0.00288718/step Wall: 9236.07, 0.00288718/step, 1.45401 hours remaining, 209.621094 MB of memory in use. ENERGY: 3187000 728.9747 2098.6436 1970.7884 103.1633 -206160.2026 17668.5779 0.0000 0.0000 34233.9618 -149356.0928 298.9737 -183590.0547 -149253.0869 298.9554 -169.3421 -137.8594 558286.5808 5.0481 5.2005 PRESSURE: 3187200 58.8956 -72.6039 105.382 -72.604 247.723 78.7423 105.382 78.7428 115.786 GPRESSURE: 3187200 83.5477 -58.775 60.556 -128.797 271.648 63.8511 105.359 43.3854 153.556 PRESSAVG: 3187200 -30.3555 50.5009 24.9676 50.5009 57.6557 21.3407 24.9674 21.3408 -67.6562 GPRESSAVG: 3187200 -32.198 50.989 24.9932 50.8434 58.1976 20.1109 23.0134 21.1915 -66.4992 TIMING: 3187200 CPU: 9236.65, 0.0029163/step Wall: 9236.65, 0.00291631/step, 1.46852 hours remaining, 209.621094 MB of memory in use. ENERGY: 3187200 721.1998 2078.0160 1963.3180 107.7550 -206824.5599 18175.5122 0.0000 0.0000 34267.3244 -149511.4345 299.2651 -183778.7590 -149419.1951 298.3718 140.8015 169.5839 557633.0359 -13.4520 -13.4998 PRESSURE: 3187400 129.367 -79.7722 20.5519 -79.7738 -83.0357 4.71718 20.5522 4.71731 -231.409 GPRESSURE: 3187400 180.265 -129.957 -42.1215 -67.4909 -82.8199 31.4844 59.0488 21.6641 -191.924 PRESSAVG: 3187400 7.74455 -74.9065 -23.778 -74.9065 11.0415 23.7238 -23.7779 23.7239 -7.90479 GPRESSAVG: 3187400 7.39496 -74.1751 -24.3721 -75.8009 11.2765 26.6104 -24.0145 24.4295 -8.10391 TIMING: 3187400 CPU: 9237.23, 0.00287099/step Wall: 9237.23, 0.00287099/step, 1.44554 hours remaining, 209.621094 MB of memory in use. ENERGY: 3187400 736.8422 2082.7330 1924.8662 113.9642 -206282.2011 17689.4083 0.0000 0.0000 34192.1740 -149542.2131 298.6088 -183734.3871 -149441.8403 298.5771 -61.6926 -31.4932 557651.0151 3.6271 3.5225 PRESSURE: 3187600 211.103 -60.8146 85.8338 -60.8154 -55.7946 -126.706 85.8337 -126.705 -75.8293 GPRESSURE: 3187600 246.347 -36.1504 17.1335 -55.9139 -55.6116 -21.7301 134.325 -146.567 -27.685 PRESSAVG: 3187600 25.5071 -60.4575 11.9499 -60.4574 3.35596 -5.43881 11.9499 -5.43869 -36.3204 GPRESSAVG: 3187600 25.8594 -60.7698 13.6209 -61.7822 3.44333 -9.34119 11.913 -5.54577 -36.4649 TIMING: 3187600 CPU: 9237.8, 0.0028759/step Wall: 9237.8, 0.0028759/step, 1.44786 hours remaining, 209.621094 MB of memory in use. ENERGY: 3187600 737.0360 2057.6385 1926.9788 113.0862 -206430.4018 17950.6934 0.0000 0.0000 34124.0703 -149520.8986 298.0140 -183644.9690 -149421.5448 298.2943 26.4930 54.3501 557432.1196 -2.4858 -2.3874 PRESSURE: 3187800 32.9419 52.557 -82.6451 52.5568 -215.704 71.4826 -82.6453 71.4819 -132.838 GPRESSURE: 3187800 120.447 44.3044 -162.712 104.504 -199.813 -12.2266 -17.5634 108.305 -137.454 PRESSAVG: 3187800 52.6267 88.831 -14.5708 88.8311 -20.4561 39.5984 -14.5707 39.5984 -29.8099 GPRESSAVG: 3187800 52.5523 89.2654 -14.3858 89.1751 -21.1693 42.3121 -14.6954 39.4434 -29.2729 TIMING: 3187800 CPU: 9238.38, 0.00290558/step Wall: 9238.38, 0.00290558/step, 1.46264 hours remaining, 209.621094 MB of memory in use. ENERGY: 3187800 741.3958 2039.0963 1959.6750 121.5893 -206096.5517 17686.4083 0.0000 0.0000 34014.2569 -149534.1302 297.0550 -183548.3871 -149445.9479 298.6890 -105.1999 -72.2733 558480.7608 0.7869 0.7034 PRESSURE: 3188000 -138.669 -65.5619 159.013 -65.5607 -185.559 -32.8618 159.012 -32.8618 -270.892 GPRESSURE: 3188000 -149.162 -8.9261 121.984 -56.4417 -107.188 -72.4407 141.062 -54.5887 -247.541 PRESSAVG: 3188000 -8.40402 14.8392 12.3435 14.8393 -2.13103 -16.4524 12.3435 -16.4523 0.0477254 GPRESSAVG: 3188000 -9.19439 15.5163 12.2761 16.0883 -1.03437 -17.2518 13.0362 -15.4353 -0.142269 TIMING: 3188000 CPU: 9238.96, 0.00288435/step Wall: 9238.96, 0.00288435/step, 1.45179 hours remaining, 209.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3188000 757.2211 2035.9844 1935.4221 106.7945 -206251.5456 17704.2107 0.0000 0.0000 34205.0259 -149506.8869 298.7210 -183711.9128 -149411.7959 298.4382 -198.3732 -167.9638 559529.3523 -3.4958 -3.4570 PRESSURE: 3188200 -40.9752 -116.88 57.5233 -116.879 -47.3137 -92.3973 57.5232 -92.3973 60.6342 GPRESSURE: 3188200 -14.5531 -152.86 1.71663 -78.4603 -45.5934 -72.5131 127.225 -49.6976 115.419 PRESSAVG: 3188200 2.21606 7.37264 -51.8086 7.37269 -25.5452 -0.71152 -51.8086 -0.711624 -17.5731 GPRESSAVG: 3188200 2.55168 8.84074 -52.3054 6.2738 -25.4168 -0.596449 -51.3443 -0.825484 -17.9173 TIMING: 3188200 CPU: 9239.55, 0.002932/step Wall: 9239.55, 0.002932/step, 1.47561 hours remaining, 209.621094 MB of memory in use. ENERGY: 3188200 716.8081 2081.0307 1899.1268 118.5590 -206459.9251 17863.5335 0.0000 0.0000 34190.6559 -149590.2111 298.5955 -183780.8670 -149497.3081 298.8240 -9.2182 18.4243 558337.5434 -13.6341 -13.5941 LDB: ============= START OF LOAD BALANCING ============== 9242.94 LDB: ============== END OF LOAD BALANCING =============== 9242.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9242.94 LDB: ============= START OF LOAD BALANCING ============== 9243.23 LDB: Largest compute 4801 load 0.020688 is 17.5% of average load 0.117966 LDB: Average compute 0.001739 is 1.5% of average load 0.117966 LDB: TIME 9243.23 LOAD: AVG 0.117966 MAX 0.182657 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.211 MB LDB: TIME 9243.23 LOAD: AVG 0.117966 MAX 0.182657 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.41 MB LDB: TIME 9243.23 LOAD: AVG 0.117966 MAX 0.182657 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.41 MB LDB: ============== END OF LOAD BALANCING =============== 9243.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9243.24 PRESSURE: 3188400 56.0537 -124.134 -5.7249 -124.134 -186.179 31.551 -5.72568 31.5518 132.824 GPRESSURE: 3188400 128.791 -188.07 -38.9948 -124.556 -193.705 69.6348 -5.86304 -41.4623 158.805 PRESSAVG: 3188400 -14.1014 -37.5753 7.64077 -37.5753 8.97681 1.47741 7.6408 1.4774 12.7168 GPRESSAVG: 3188400 -13.261 -39.5788 9.6727 -35.7481 8.72861 4.94864 7.5605 -0.397779 12.4164 TIMING: 3188400 CPU: 9240.14, 0.00298475/step Wall: 9240.14, 0.00298475/step, 1.50199 hours remaining, 212.191406 MB of memory in use. ENERGY: 3188400 707.3007 2087.9259 1930.3263 114.1358 -206397.5891 17777.4006 0.0000 0.0000 34118.2189 -149662.2809 297.9629 -183780.4998 -149572.4213 297.6898 0.8996 31.2972 557224.1247 2.5307 2.6280 PRESSURE: 3188600 -101.479 118.724 -102.18 118.726 -30.7877 165.458 -102.18 165.457 -96.5055 GPRESSURE: 3188600 -65.1474 193.635 -47.2873 101.074 -23.7269 189.125 -159.359 73.1351 -34.2994 PRESSAVG: 3188600 55.581 -1.73344 -9.40119 -1.73342 2.03452 40.8668 -9.40123 40.8667 15.1219 GPRESSAVG: 3188600 55.2471 -2.44865 -11.2258 -2.00297 0.631981 37.2799 -8.9109 42.0753 16.9459 TIMING: 3188600 CPU: 9240.73, 0.00293554/step Wall: 9240.73, 0.00293554/step, 1.47707 hours remaining, 212.519531 MB of memory in use. ENERGY: 3188600 752.8572 2059.0459 1963.3784 118.4275 -206626.1900 18012.1696 0.0000 0.0000 33991.3367 -149728.9747 296.8548 -183720.3114 -149636.8649 297.6360 -76.2572 -41.0579 558029.8329 24.2458 24.2750 PRESSURE: 3188800 -48.9881 165.902 16.1871 165.9 -78.6553 -99.6404 16.1872 -99.6389 142.344 GPRESSURE: 3188800 10.9628 134.192 7.92014 182.277 -70.5297 -58.2405 -3.95898 -119.051 181.802 PRESSAVG: 3188800 -13.0682 -33.3872 -18.0748 -33.3873 67.482 -12.1872 -18.0748 -12.1873 -9.45005 GPRESSAVG: 3188800 -13.1021 -33.6053 -16.8203 -33.404 68.0764 -11.6876 -19.211 -11.2683 -9.42419 TIMING: 3188800 CPU: 9241.31, 0.0029062/step Wall: 9241.31, 0.0029062/step, 1.46214 hours remaining, 212.519531 MB of memory in use. ENERGY: 3188800 719.1525 2083.6153 1959.0139 129.6904 -206240.0885 17814.4199 0.0000 0.0000 34040.0992 -149494.0973 297.2807 -183534.1966 -149395.9559 298.1308 4.9003 40.7452 557449.3682 14.9879 15.1834 PRESSURE: 3189000 62.241 -121.876 85.5729 -121.876 -170.577 25.0585 85.5727 25.0589 -132.2 GPRESSURE: 3189000 54.0413 -120.537 99.5905 -167.219 -65.7167 -19.8199 86.6061 38.3625 -129.275 PRESSAVG: 3189000 9.99002 -32.05 -13.8362 -32.05 -50.3432 -14.7589 -13.8362 -14.759 57.1207 GPRESSAVG: 3189000 10.2975 -30.5703 -13.7186 -33.1272 -49.7947 -14.65 -13.6334 -15.8011 56.7456 TIMING: 3189000 CPU: 9241.89, 0.0029064/step Wall: 9241.89, 0.0029064/step, 1.46208 hours remaining, 212.519531 MB of memory in use. ENERGY: 3189000 776.4884 1975.0558 1927.1933 119.6866 -206271.0552 17851.9439 0.0000 0.0000 34227.6040 -149393.0831 298.9182 -183620.6871 -149296.0471 298.3519 -80.1787 -46.9836 555816.5560 5.5892 5.7495 PRESSURE: 3189200 12.9375 -61.1793 -182.496 -61.1793 143.419 4.60256 -182.495 4.60232 -315.243 GPRESSURE: 3189200 59.7052 -33.5843 -123.302 -95.6614 175.355 -62.1197 -197.813 -42.4218 -282.736 PRESSAVG: 3189200 -6.89975 42.7958 35.0605 42.7957 -2.77234 -23.0595 35.0605 -23.0595 17.3479 GPRESSAVG: 3189200 -6.69026 42.8868 32.8848 44.9533 -3.05866 -23.7142 34.5859 -22.1629 17.665 TIMING: 3189200 CPU: 9242.47, 0.00289593/step Wall: 9242.47, 0.00289593/step, 1.45665 hours remaining, 212.519531 MB of memory in use. ENERGY: 3189200 750.6523 2036.6984 1945.2272 115.8035 -206261.4541 17842.0093 0.0000 0.0000 34190.2390 -149380.8243 298.5919 -183571.0633 -149287.7627 298.9677 -52.9621 -15.8919 556265.9689 2.5586 2.6387 PRESSURE: 3189400 -10.4619 -110.483 58.5509 -110.485 -193.786 -76.5977 58.5512 -76.5968 25.8644 GPRESSURE: 3189400 6.36871 -34.05 42.2562 -175.991 -116.853 -181.508 68.5272 5.07864 23.7016 PRESSAVG: 3189400 -29.9033 36.7401 15.9287 36.7401 43.8851 -17.7903 15.9286 -17.7903 -34.8703 GPRESSAVG: 3189400 -29.0844 36.2484 15.3142 36.6522 44.4237 -18.0558 17.1723 -16.0208 -35.8086 TIMING: 3189400 CPU: 9243.05, 0.00289232/step Wall: 9243.05, 0.00289232/step, 1.45467 hours remaining, 212.519531 MB of memory in use. ENERGY: 3189400 734.4549 2096.8711 1942.0296 115.4836 -206425.2199 17790.1605 0.0000 0.0000 34100.1048 -149646.1154 297.8047 -183746.2202 -149548.8512 298.4082 -59.4613 -28.9276 557247.1346 -6.9628 -6.8231 PRESSURE: 3189600 3.74867 86.0855 103.188 86.0847 -127.548 -30.1136 103.188 -30.1122 -132.349 GPRESSURE: 3189600 50.9298 158.895 129.045 58.0246 -151.95 49.8166 42.7002 -41.6688 -46.7994 PRESSAVG: 3189600 25.5131 45.479 8.20564 45.4789 3.20387 -25.5139 8.20553 -25.5139 9.64906 GPRESSAVG: 3189600 23.9151 45.6118 9.63599 42.8599 3.69382 -26.0637 6.59551 -27.0575 11.0411 TIMING: 3189600 CPU: 9243.63, 0.00288576/step Wall: 9243.63, 0.00288576/step, 1.45122 hours remaining, 212.519531 MB of memory in use. ENERGY: 3189600 699.2672 2047.5905 1959.9135 109.5877 -205998.3262 17585.0807 0.0000 0.0000 33866.4168 -149730.4697 295.7638 -183596.8865 -149633.7001 298.2940 -85.3827 -49.2732 556652.2898 12.7887 12.8833 PRESSURE: 3189800 21.4194 1.21927 -13.0938 1.21911 -242.313 121.633 -13.0935 121.631 -189.902 GPRESSURE: 3189800 66.64 48.9731 -37.688 25.2914 -200.835 105.006 41.1547 141.885 -185.28 PRESSAVG: 3189800 125.943 7.93962 -13.4733 7.93973 -43.7077 -1.86807 -13.4733 -1.86807 -54.734 GPRESSAVG: 3189800 126.505 6.2885 -13.3276 10.4559 -43.4419 -1.77712 -14.5386 -1.88964 -55.2681 TIMING: 3189800 CPU: 9244.21, 0.00288833/step Wall: 9244.21, 0.00288833/step, 1.45235 hours remaining, 212.519531 MB of memory in use. ENERGY: 3189800 727.3456 2054.0408 1962.0137 117.7827 -206400.4372 17662.1769 0.0000 0.0000 34097.9801 -149779.0973 297.7861 -183877.0774 -149684.3887 297.6102 -136.9316 -106.4916 558224.2672 9.1672 9.2650 PRESSURE: 3190000 -3.4963 13.9968 -29.1603 13.9966 -112.938 -154.412 -29.1624 -154.412 -131.231 GPRESSURE: 3190000 60.544 59.5151 9.17318 46.195 -94.1988 -116.721 -70.1834 -177.017 -102.243 PRESSAVG: 3190000 78.9443 -45.6692 20.4418 -45.6691 -60.5817 1.53915 20.4418 1.53909 20.5676 GPRESSAVG: 3190000 78.9531 -43.0831 20.607 -47.4667 -61.3634 2.54156 20.0302 0.814178 21.7311 TIMING: 3190000 CPU: 9244.79, 0.00290544/step Wall: 9244.79, 0.00290544/step, 1.46079 hours remaining, 212.519531 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: 3190000 737.8203 2069.7491 1936.7291 108.4620 -206453.8394 17743.1220 0.0000 0.0000 34058.7934 -149799.1636 297.4439 -183857.9569 -149702.9471 297.6030 -82.5552 -45.2992 557969.8440 12.9767 13.1070 PRESSURE: 3190200 258.372 -101.514 -78.7203 -101.512 115.814 -32.069 -78.7212 -32.0691 117.45 GPRESSURE: 3190200 306.503 -74.7164 -98.0196 -115.893 141.103 -33.4078 -25.016 -2.91147 122.577 PRESSAVG: 3190200 27.4175 -28.3803 -21.8662 -28.3802 -47.5279 32.337 -21.8662 32.337 -8.8083 GPRESSAVG: 3190200 28.2709 -30.8556 -23.7517 -28.5946 -47.6545 34.4393 -21.0112 32.0178 -9.694 TIMING: 3190200 CPU: 9245.37, 0.00290426/step Wall: 9245.37, 0.00290426/step, 1.46003 hours remaining, 212.519531 MB of memory in use. ENERGY: 3190200 726.1660 2101.5623 1924.1565 108.4654 -206917.3346 18181.4440 0.0000 0.0000 34016.2514 -149859.2889 297.0724 -183875.5404 -149760.5819 297.8369 163.8785 190.0607 556011.4443 -9.6396 -9.6925 PRESSURE: 3190400 127.347 -57.3606 38.0541 -57.3602 -18.3979 29.4684 38.0548 29.47 -74.9542 GPRESSURE: 3190400 184.266 43.5084 44.3646 -109.305 -29.9647 11.9054 77.3824 31.2974 -18.5163 PRESSAVG: 3190400 -10.986 31.1257 11.6341 31.1258 -6.48451 -50.4347 11.634 -50.4347 7.83192 GPRESSAVG: 3190400 -12.03 30.5436 11.8052 31.4305 -4.97611 -52.4909 11.7536 -48.6724 6.96905 TIMING: 3190400 CPU: 9245.94, 0.00288447/step Wall: 9245.94, 0.00288447/step, 1.44992 hours remaining, 212.519531 MB of memory in use. ENERGY: 3190400 745.7996 2043.3123 1972.3927 104.6072 -206735.3080 17874.0586 0.0000 0.0000 34126.7928 -149868.3448 298.0378 -183995.1376 -149771.5192 297.4310 11.3316 45.2618 555711.0822 -3.2129 -3.3457 PRESSURE: 3190600 -206.001 -47.1348 29.7224 -47.1355 -112.804 69.8896 29.7214 69.8888 -360.365 GPRESSURE: 3190600 -213.959 -13.2084 83.2714 -59.1504 -100.276 80.7917 -33.8554 12.8053 -287.85 PRESSAVG: 3190600 66.5058 4.85619 -3.33969 4.8562 30.578 -46.7062 -3.3396 -46.7061 -33.792 GPRESSAVG: 3190600 66.4397 7.04666 -2.89012 4.5199 30.3732 -48.8578 -3.73274 -47.0366 -33.9926 TIMING: 3190600 CPU: 9246.53, 0.00290199/step Wall: 9246.53, 0.00290199/step, 1.45857 hours remaining, 212.519531 MB of memory in use. ENERGY: 3190600 773.2914 2081.1457 1953.4326 113.0295 -206167.0399 17548.5791 0.0000 0.0000 33721.8694 -149975.6923 294.5015 -183697.5616 -149878.2272 296.7848 -226.3900 -200.6951 558459.2615 21.0972 20.9401 PRESSURE: 3190800 -116.199 31.5662 -216.71 31.5653 362.31 -80.8801 -216.711 -80.879 -135.947 GPRESSURE: 3190800 -82.1602 -72.5791 -212.513 169.035 404.038 -107.406 -270.435 -47.6319 -120.109 PRESSAVG: 3190800 -65.1164 4.71486 9.359 4.71477 50.8454 -18.8473 9.35906 -18.8474 2.15764 GPRESSAVG: 3190800 -64.9842 3.51834 9.99816 5.04242 50.4866 -18.2622 10.1058 -18.8854 2.82942 TIMING: 3190800 CPU: 9247.11, 0.00290142/step Wall: 9247.11, 0.00290142/step, 1.45812 hours remaining, 212.519531 MB of memory in use. ENERGY: 3190800 722.2392 2060.1609 1903.8689 97.3935 -206782.3051 18233.2867 0.0000 0.0000 33918.8669 -149846.4890 296.2219 -183765.3558 -149744.7603 296.6318 36.7216 67.2563 558465.2334 -4.0378 -3.8894 PRESSURE: 3191000 -107.335 106.174 -5.48321 106.174 -23.6424 -98.3582 -5.48413 -98.3597 186.18 GPRESSURE: 3191000 -105.195 31.3409 -108.21 110.593 77.8449 -154.237 50.3844 -49.6347 195.252 PRESSAVG: 3191000 -124.682 -34.0073 -8.00048 -34.0075 107.955 -1.14515 -8.00064 -1.14515 1.73622 GPRESSAVG: 3191000 -125.215 -33.328 -9.99082 -33.6407 107.56 0.484743 -7.35328 -1.97065 2.59003 TIMING: 3191000 CPU: 9247.69, 0.0029005/step Wall: 9247.69, 0.0029005/step, 1.4575 hours remaining, 212.519531 MB of memory in use. ENERGY: 3191000 739.5871 2037.8830 1949.3471 108.4014 -206698.6357 17948.5273 0.0000 0.0000 34252.4010 -149662.4887 299.1347 -183914.8897 -149567.2066 297.4669 18.4010 55.9673 556550.8639 -4.9969 -5.0217 PRESSURE: 3191200 -52.6888 -111.53 134.87 -111.53 109.315 -116.712 134.869 -116.713 -192.197 GPRESSURE: 3191200 3.90228 -128.289 44.6474 -78.3119 109.759 -106.019 94.9085 -254.997 -149.823 PRESSAVG: 3191200 25.3642 -21.0417 25.4667 -21.0416 58.8427 -30.4917 25.4667 -30.4916 -44.9919 GPRESSAVG: 3191200 26.695 -22.9487 25.9487 -20.3043 58.1325 -31.0611 24.719 -29.8719 -45.601 TIMING: 3191200 CPU: 9248.26, 0.00289111/step Wall: 9248.26, 0.00289111/step, 1.45262 hours remaining, 212.519531 MB of memory in use. ENERGY: 3191200 753.7156 2009.6409 1959.4112 110.1129 -206290.6869 17708.5172 0.0000 0.0000 34162.9508 -149586.3383 298.3535 -183749.2892 -149485.6530 298.5489 -45.1905 -12.0540 556457.5475 13.0717 13.0755 PRESSURE: 3191400 46.4101 142.879 73.6525 142.88 126.899 24.9465 73.6522 24.9476 12.3193 GPRESSURE: 3191400 122.72 125.664 72.2815 87.3405 157.445 57.4584 74.212 55.94 3.42413 PRESSAVG: 3191400 -8.58692 -49.693 22.1819 -49.6931 32.7534 -11.4513 22.1818 -11.4512 -9.07977 GPRESSAVG: 3191400 -8.59872 -47.1014 23.0267 -50.6304 33.0069 -12.3759 20.139 -11.6004 -9.93957 TIMING: 3191400 CPU: 9248.84, 0.00287933/step Wall: 9248.84, 0.00287933/step, 1.44654 hours remaining, 212.519531 MB of memory in use. ENERGY: 3191400 733.5826 2077.2158 1980.7630 102.6738 -206839.6748 18036.4944 0.0000 0.0000 34169.2580 -149739.6872 298.4086 -183908.9453 -149647.9120 298.7447 61.8760 94.5298 556186.1256 5.0289 4.8229 PRESSURE: 3191600 -82.7375 125.003 -44.2311 125.003 114.219 168.932 -44.2311 168.933 106.182 GPRESSURE: 3191600 -78.9204 180.549 -7.80594 88.5317 155.029 153.81 -82.2658 178.126 144.956 PRESSAVG: 3191600 -2.36424 -21.4045 19.391 -21.4045 34.5425 4.14537 19.3911 4.1453 -38.0497 GPRESSAVG: 3191600 -3.53163 -24.1867 19.7432 -20.6329 35.3658 6.67314 22.6611 3.02198 -37.4495 TIMING: 3191600 CPU: 9249.41, 0.00287615/step Wall: 9249.41, 0.00287615/step, 1.44479 hours remaining, 212.519531 MB of memory in use. ENERGY: 3191600 737.5088 2049.4003 1967.5270 111.4325 -206614.8497 17868.8616 0.0000 0.0000 34203.1214 -149676.9980 298.7044 -183880.1194 -149582.2735 297.4145 45.8879 73.6881 555491.1792 -1.9572 -1.8718 PRESSURE: 3191800 40.9836 -75.136 130.082 -75.1355 86.0874 -76.9356 130.082 -76.9347 97.7533 GPRESSURE: 3191800 150.622 -51.6004 103.726 -99.5485 117.504 -57.2854 193.371 31.8548 63.7745 PRESSAVG: 3191800 -61.4044 -21.6791 -0.697316 -21.679 36.4766 49.2797 -0.697267 49.2797 72.8198 GPRESSAVG: 3191800 -60.3517 -21.0421 -0.99793 -21.7391 36.0693 46.3362 0.307405 49.8842 72.0238 TIMING: 3191800 CPU: 9250, 0.00291869/step Wall: 9250, 0.00291869/step, 1.46599 hours remaining, 212.519531 MB of memory in use. ENERGY: 3191800 750.4716 2092.4145 1978.1450 91.8026 -206411.0761 17790.0026 0.0000 0.0000 34078.2298 -149630.0102 297.6137 -183708.2400 -149538.5989 297.8766 74.9415 110.6336 554873.3919 15.9640 15.9138 PRESSURE: 3192000 59.1981 -126.857 19.6925 -126.856 75.5056 86.8927 19.6925 86.8938 92.0217 GPRESSURE: 3192000 81.9423 -47.0999 15.2055 -204.857 120.162 149.244 -21.9021 88.1188 124.596 PRESSAVG: 3192000 23.0369 -17.9415 -34.5494 -17.9415 0.490098 2.82628 -34.5495 2.82632 -29.7863 GPRESSAVG: 3192000 22.2911 -17.9517 -33.7641 -18.2937 1.40133 5.37326 -37.3595 1.318 -29.9256 TIMING: 3192000 CPU: 9250.58, 0.00288612/step Wall: 9250.58, 0.00288612/step, 1.44947 hours remaining, 212.519531 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: 3192000 745.9435 2075.7411 1975.0865 106.4049 -206485.0728 17905.5644 0.0000 0.0000 34060.2377 -149616.0946 297.4565 -183676.3323 -149522.3240 297.7816 75.5751 108.9002 556603.0956 -2.0864 -2.0777 PRESSURE: 3192200 -93.2301 55.6941 -268.123 55.6941 -145.668 7.14044 -268.124 7.14127 122.705 GPRESSURE: 3192200 -39.8442 93.3951 -245.309 3.22819 -138.605 -37.7443 -261.724 -65.1753 153.978 PRESSAVG: 3192200 -48.7445 6.00771 -27.6357 6.00776 55.8257 -31.6628 -27.6357 -31.663 21.3549 GPRESSAVG: 3192200 -48.0992 5.89815 -29.3691 6.53907 53.643 -33.7978 -26.4279 -30.8578 22.7253 TIMING: 3192200 CPU: 9251.16, 0.0028989/step Wall: 9251.16, 0.0028989/step, 1.45573 hours remaining, 212.519531 MB of memory in use. ENERGY: 3192200 755.8626 2015.1386 1974.4819 123.6968 -206539.1941 17890.3322 0.0000 0.0000 34176.7093 -149602.9726 298.4737 -183779.6819 -149508.0768 298.4155 -38.7312 -8.1571 556978.4223 9.4787 9.4230 LDB: ============= START OF LOAD BALANCING ============== 9254.54 LDB: ============== END OF LOAD BALANCING =============== 9254.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9254.54 LDB: ============= START OF LOAD BALANCING ============== 9254.83 LDB: Largest compute 4800 load 0.021474 is 18.2% of average load 0.117926 LDB: Average compute 0.001735 is 1.5% of average load 0.117926 LDB: TIME 9254.84 LOAD: AVG 0.117926 MAX 0.180536 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.418 MB LDB: TIME 9254.84 LOAD: AVG 0.117926 MAX 0.180536 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.621 MB LDB: TIME 9254.84 LOAD: AVG 0.117926 MAX 0.180536 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.621 MB LDB: ============== END OF LOAD BALANCING =============== 9254.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9254.84 PRESSURE: 3192400 -250.194 49.4061 -96.3048 49.4056 -7.27986 4.94653 -96.3041 4.94684 -144.718 GPRESSURE: 3192400 -237.762 137.338 -117.695 16.1067 19.0684 12.7477 -72.6374 39.1991 -97.1107 PRESSAVG: 3192400 -29.1828 15.1584 -36.7822 15.1584 64.4198 -35.4416 -36.7821 -35.4415 -54.0524 GPRESSAVG: 3192400 -29.339 16.4163 -35.9581 14.5333 65.7162 -37.0435 -34.703 -34.2638 -55.1777 TIMING: 3192400 CPU: 9251.75, 0.00296023/step Wall: 9251.75, 0.00296023/step, 1.48637 hours remaining, 210.187500 MB of memory in use. ENERGY: 3192400 741.6818 2108.8040 1977.4317 115.6745 -206135.6617 17560.1504 0.0000 0.0000 34066.8268 -149565.0925 297.5141 -183631.9193 -149471.3944 298.2600 -134.0642 -105.2681 558053.6310 -6.2718 -6.2668 PRESSURE: 3192600 -408.268 -26.1829 85.4433 -26.1826 -230.714 -64.6483 85.4434 -64.6487 -401.851 GPRESSURE: 3192600 -371.544 -34.7443 -5.29141 -50.3613 -180.098 -74.5708 57.728 38.737 -387.887 PRESSAVG: 3192600 -83.9092 1.33075 -46.9311 1.33076 -16.451 0.839116 -46.9312 0.839057 44.8844 GPRESSAVG: 3192600 -83.3154 1.2081 -47.8803 -1.22876 -17.6744 3.16303 -48.8068 -0.278331 45.106 TIMING: 3192600 CPU: 9252.33, 0.00289306/step Wall: 9252.33, 0.00289306/step, 1.45248 hours remaining, 210.386719 MB of memory in use. ENERGY: 3192600 748.8931 2060.7941 1953.5410 111.5102 -206158.2352 17407.3052 0.0000 0.0000 34133.9081 -149742.2836 298.0999 -183876.1917 -149638.9298 297.4405 -346.9442 -313.1764 558174.5752 -18.4919 -18.6279 PRESSURE: 3192800 -145.96 13.011 -113.863 13.0113 -34.7414 -8.58665 -113.863 -8.58637 77.9069 GPRESSURE: 3192800 -97.1551 42.6361 -105.464 28.8776 -30.7664 -53.7422 -142.115 -76.7193 129.742 PRESSAVG: 3192800 -85.9612 -7.94318 -23.4474 -7.94314 39.9871 -20.2885 -23.4475 -20.2885 55.1244 GPRESSAVG: 3192800 -87.2363 -8.63333 -22.4663 -4.57823 42.03 -19.8076 -24.612 -21.2086 54.7995 TIMING: 3192800 CPU: 9252.9, 0.00287521/step Wall: 9252.9, 0.00287521/step, 1.44336 hours remaining, 210.386719 MB of memory in use. ENERGY: 3192800 748.0247 2067.2880 1971.4761 116.2209 -206555.9575 17791.8899 0.0000 0.0000 33993.1968 -149867.8610 296.8710 -183861.0578 -149768.5326 297.7966 -34.2650 0.6068 556716.0902 3.0501 3.1977 PRESSURE: 3193000 19.0742 93.4789 -54.0499 93.4799 5.63641 -87.8733 -54.0504 -87.8732 -261.424 GPRESSURE: 3193000 65.6571 109.088 -122.839 56.9447 52.2267 -92.2937 32.8867 -123.786 -261.715 PRESSAVG: 3193000 -9.10424 40.7511 -17.6479 40.7511 25.8471 -19.6256 -17.648 -19.6256 -14.5654 GPRESSAVG: 3193000 -8.88708 40.7084 -16.2988 37.7043 25.2586 -20.2658 -17.6292 -18.1805 -14.3286 TIMING: 3193000 CPU: 9253.48, 0.00290517/step Wall: 9253.48, 0.00290517/step, 1.45824 hours remaining, 210.386719 MB of memory in use. ENERGY: 3193000 733.6631 2055.6598 1972.1523 109.1313 -206479.9611 17704.8180 0.0000 0.0000 34090.1276 -149814.4089 297.7176 -183904.5365 -149714.0919 297.0872 -78.9046 -47.9438 556861.3317 0.7258 0.6810 PRESSURE: 3193200 -75.9818 -120.104 23.764 -120.103 -271.411 12.4665 23.7635 12.4656 -206.04 GPRESSURE: 3193200 -2.21136 -78.8816 8.21175 -137.102 -235.677 41.4448 -21.5888 41.9876 -224.768 PRESSAVG: 3193200 11.7296 19.598 -22.7901 19.5979 -8.6324 16.796 -22.7902 16.7959 47.7701 GPRESSAVG: 3193200 11.5098 18.8743 -23.5334 19.8085 -8.28279 15.7117 -21.9107 16.3288 47.6227 TIMING: 3193200 CPU: 9254.06, 0.00290401/step Wall: 9254.06, 0.00290401/step, 1.45749 hours remaining, 210.386719 MB of memory in use. ENERGY: 3193200 763.5254 2089.9906 1986.1019 109.6893 -206396.5141 17611.9793 0.0000 0.0000 34100.9427 -149734.2850 297.8120 -183835.2277 -149641.0117 297.6318 -184.4777 -154.2190 556504.6455 16.9558 16.9499 PRESSURE: 3193400 -79.6005 56.5103 -115.192 56.5089 -110.177 -15.595 -115.192 -15.5941 154.363 GPRESSURE: 3193400 -68.2641 137.464 -85.1816 95.4025 -8.44078 -20.6995 -134.176 29.1652 142.064 PRESSAVG: 3193400 36.4261 -13.6664 29.5122 -13.6664 -34.6499 8.82897 29.5121 8.82889 -3.236 GPRESSAVG: 3193400 36.5564 -14.5287 29.726 -11.3019 -34.9436 8.91891 30.865 11.0082 -2.64614 TIMING: 3193400 CPU: 9254.64, 0.00290231/step Wall: 9254.64, 0.00290231/step, 1.45647 hours remaining, 210.386719 MB of memory in use. ENERGY: 3193400 767.1310 2077.0339 1959.4568 114.3626 -206556.5675 17907.9639 0.0000 0.0000 34010.7602 -149719.8591 297.0244 -183730.6193 -149628.6000 297.4934 -11.8046 21.7863 557098.1999 -0.4866 -0.3444 PRESSURE: 3193600 -262.445 180.589 -42.1228 180.589 -356.608 18.1434 -42.1236 18.1436 -58.968 GPRESSURE: 3193600 -233.974 224.747 -130.812 112.24 -331.107 -49.5531 42.4404 -32.4354 -18.4156 PRESSAVG: 3193600 34.2197 104.188 -28.1358 104.189 -79.6912 31.1821 -28.1358 31.182 62.1663 GPRESSAVG: 3193600 33.4805 105.083 -28.7892 102.994 -79.1905 32.1027 -28.9037 29.3674 62.4807 TIMING: 3193600 CPU: 9255.22, 0.00288437/step Wall: 9255.22, 0.00288438/step, 1.44732 hours remaining, 210.386719 MB of memory in use. ENERGY: 3193600 791.0959 2045.9525 1994.2259 98.3450 -206483.0859 17782.1050 0.0000 0.0000 34124.2506 -149647.1110 298.0156 -183771.3616 -149549.1995 297.5759 -226.0069 -194.4991 558522.4577 5.5649 5.5902 PRESSURE: 3193800 -72.1258 39.4443 -101.629 39.4429 -41.6771 85.5987 -101.629 85.5998 -17.0037 GPRESSURE: 3193800 -31.1037 -54.6394 -171.045 79.7924 14.0726 35.4605 -103.642 64.5234 -28.9654 PRESSAVG: 3193800 -56.0626 43.4938 -27.5198 43.4938 40.4648 -60.4527 -27.5198 -60.4528 60.6405 GPRESSAVG: 3193800 -54.9548 44.8968 -27.4828 42.1893 40.2408 -60.8294 -26.0944 -60.2021 60.4196 TIMING: 3193800 CPU: 9255.8, 0.00291628/step Wall: 9255.8, 0.00291628/step, 1.46316 hours remaining, 210.386719 MB of memory in use. ENERGY: 3193800 752.6650 2066.7139 1979.6635 109.6723 -206292.5946 17712.5365 0.0000 0.0000 33982.4886 -149688.8548 296.7775 -183671.3434 -149592.2050 297.6743 -43.6022 -15.3321 557296.4336 15.0142 15.2352 PRESSURE: 3194000 -377.913 162.438 12.5366 162.438 -159.752 -0.564757 12.5372 -0.564116 -39.2055 GPRESSURE: 3194000 -298.769 172.194 -6.91607 148.679 -115.958 -12.0502 62.646 30.601 -67.0979 PRESSAVG: 3194000 -58.7255 54.976 -51.1815 54.976 -4.36117 21.7542 -51.1816 21.7541 64.992 GPRESSAVG: 3194000 -59.919 55.5855 -49.0237 54.2065 -2.80354 22.1428 -53.1776 19.9317 64.4685 TIMING: 3194000 CPU: 9256.38, 0.00289223/step Wall: 9256.38, 0.00289223/step, 1.45094 hours remaining, 210.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3194000 731.0018 2087.5940 1966.9849 113.1053 -206032.1713 17502.1263 0.0000 0.0000 34077.8683 -149553.4907 297.6105 -183631.3589 -149464.0132 297.6531 -192.2901 -160.6082 557689.0856 0.6351 0.5820 PRESSURE: 3194200 11.0011 -48.8384 -99.5112 -48.8383 -12.6078 76.4598 -99.5106 76.46 -244.327 GPRESSURE: 3194200 -10.075 -29.9517 -73.5892 -76.9288 18.7533 -84.0759 -124.117 120.074 -158.775 PRESSAVG: 3194200 -24.3801 17.9481 -4.95352 17.9481 -10.8183 -49.1439 -4.9535 -49.1439 37.5899 GPRESSAVG: 3194200 -23.8754 17.7448 -6.12832 18.3986 -12.6497 -49.3131 -3.35136 -48.4458 39.2057 TIMING: 3194200 CPU: 9256.96, 0.00289505/step Wall: 9256.96, 0.00289505/step, 1.45219 hours remaining, 210.386719 MB of memory in use. ENERGY: 3194200 739.2745 2029.4635 1971.3837 109.4418 -206112.7399 17587.9884 0.0000 0.0000 34117.1147 -149558.0733 297.9532 -183675.1881 -149457.6132 298.0749 -81.9779 -50.0322 558116.0994 0.7972 0.8936 PRESSURE: 3194400 25.1232 76.1894 10.7916 76.19 -27.0542 10.9771 10.7913 10.9779 -140.709 GPRESSURE: 3194400 79.5162 83.5354 -7.93359 123.763 19.5877 19.4007 74.3293 -17.857 -143.337 PRESSAVG: 3194400 -53.9414 17.6086 -12.0197 17.6086 44.9924 -21.6089 -12.0196 -21.6089 27.8992 GPRESSAVG: 3194400 -53.5609 16.3005 -12.6039 20.4838 46.0056 -21.9318 -12.6064 -21.0013 26.8952 TIMING: 3194400 CPU: 9257.54, 0.00290753/step Wall: 9257.54, 0.00290752/step, 1.45829 hours remaining, 210.386719 MB of memory in use. ENERGY: 3194400 724.0866 2139.2625 1974.4239 100.6918 -206291.7810 17722.4794 0.0000 0.0000 34223.7736 -149407.0632 298.8847 -183630.8368 -149305.0001 298.4191 -47.5468 -14.7442 556658.6113 6.3167 6.4467 PRESSURE: 3194600 251.338 80.7737 87.0218 80.7733 -149.546 73.9687 87.0199 73.9684 206.925 GPRESSURE: 3194600 268.036 59.5911 132.222 69.2002 -78.0757 102.296 95.0749 78.0649 220.587 PRESSAVG: 3194600 -69.6644 35.6704 -5.74639 35.6704 34.0934 1.88154 -5.74641 1.8816 33.2735 GPRESSAVG: 3194600 -70.2711 35.4279 -4.39886 32.7148 33.815 2.99231 -5.54458 2.30535 34.0112 TIMING: 3194600 CPU: 9258.13, 0.00293148/step Wall: 9258.13, 0.00293148/step, 1.47014 hours remaining, 210.386719 MB of memory in use. ENERGY: 3194600 770.1840 2104.9743 1953.3341 106.4139 -206205.5577 17823.7246 0.0000 0.0000 34105.1533 -149341.7736 297.8488 -183446.9269 -149243.4042 298.1281 102.9058 136.8492 556660.5449 -0.7658 -0.8150 PRESSURE: 3194800 169.191 118.45 46.9374 118.451 72.0102 -8.55205 46.9368 -8.55249 49.2681 GPRESSURE: 3194800 193.871 150.744 72.3441 109.717 66.0157 -74.3028 59.0795 -161.917 121.232 PRESSAVG: 3194800 -16.3111 10.8817 70.4791 10.8816 20.2431 28.499 70.4792 28.4991 2.0917 GPRESSAVG: 3194800 -14.731 10.5491 69.2763 12.768 18.7763 27.2379 69.81 29.2597 2.15259 TIMING: 3194800 CPU: 9258.71, 0.00289427/step Wall: 9258.71, 0.00289427/step, 1.45132 hours remaining, 210.386719 MB of memory in use. ENERGY: 3194800 784.5457 2103.5320 1963.2482 106.9404 -206346.7828 18033.3403 0.0000 0.0000 34212.3046 -149142.8716 298.7846 -183355.1762 -149046.4415 298.5570 96.8233 127.0395 556617.8201 2.0079 2.0660 PRESSURE: 3195000 -157.095 54.152 71.6369 54.1505 -14.2793 29.1158 71.6373 29.1124 -78.6324 GPRESSURE: 3195000 -90.1702 17.4601 -4.41456 118.259 1.99988 -0.429387 115.545 15.5589 -50.2407 PRESSAVG: 3195000 -8.27 -9.73284 35.7024 -9.73275 7.2542 -64.7786 35.7023 -64.7785 45.6537 GPRESSAVG: 3195000 -8.15261 -10.4348 36.6449 -9.05136 8.28144 -64.6792 35.5322 -65.454 45.0428 TIMING: 3195000 CPU: 9259.29, 0.0029002/step Wall: 9259.29, 0.0029002/step, 1.45413 hours remaining, 210.386719 MB of memory in use. ENERGY: 3195000 759.4806 2113.6959 1950.8928 113.4152 -205976.4730 17680.7201 0.0000 0.0000 34150.2968 -149207.9716 298.2430 -183358.2684 -149104.5106 299.9583 -83.3357 -46.1370 558039.8359 14.8793 15.0572 PRESSURE: 3195200 -24.7664 -70.8587 13.0021 -70.8579 -123.18 73.3873 13.002 73.3879 -13.9164 GPRESSURE: 3195200 -6.28489 -6.19208 25.7342 -113.926 -71.3022 77.2772 -59.935 11.2631 21.2701 PRESSAVG: 3195200 18.1436 7.54263 9.18381 7.54272 -52.7141 -15.5218 9.18379 -15.5217 -11.2998 GPRESSAVG: 3195200 16.7142 7.87727 8.25387 7.42376 -52.0804 -14.8106 9.71271 -15.6352 -10.2335 TIMING: 3195200 CPU: 9259.87, 0.00289066/step Wall: 9259.87, 0.00289066/step, 1.44918 hours remaining, 210.386719 MB of memory in use. ENERGY: 3195200 737.1858 2050.7532 1953.6221 113.4831 -205981.0255 17748.8983 0.0000 0.0000 34180.1659 -149196.9172 298.5039 -183377.0831 -149088.2181 299.0062 -53.9544 -18.7723 557890.1643 -15.2901 -15.1999 PRESSURE: 3195400 -232.441 -108.757 -43.392 -108.755 -440.313 -28.4722 -43.3928 -28.4742 52.3852 GPRESSURE: 3195400 -199.788 -35.703 -54.9449 -146.321 -397.369 -62.4534 70.3396 -26.653 79.8584 PRESSAVG: 3195400 15.6557 2.366 71.8782 2.36602 -12.9864 18.1909 71.8781 18.191 21.2943 GPRESSAVG: 3195400 15.9635 4.39558 71.7956 0.460753 -12.6416 17.6415 73.9127 16.72 20.5411 TIMING: 3195400 CPU: 9260.44, 0.00287746/step Wall: 9260.44, 0.00287746/step, 1.44241 hours remaining, 210.386719 MB of memory in use. ENERGY: 3195400 772.1684 2044.3110 1970.5626 105.2961 -206141.7326 17697.4618 0.0000 0.0000 34324.0884 -149227.8444 299.7608 -183551.9327 -149129.3344 298.7634 -206.7899 -172.4327 557769.0281 7.9879 7.9543 PRESSURE: 3195600 -206.608 -36.5201 -69.8577 -36.5218 -252.448 -11.9544 -69.8573 -11.9543 -290.378 GPRESSURE: 3195600 -150.362 51.6057 -79.973 -22.5408 -183.834 25.2168 -124.506 6.1549 -314.062 PRESSAVG: 3195600 -11.1781 -25.3303 -56.0201 -25.3303 -45.8361 -14.5141 -56.0202 -14.514 61.6323 GPRESSAVG: 3195600 -11.2416 -26.5924 -57.2306 -25.4619 -45.3659 -12.561 -55.631 -13.4838 60.8572 TIMING: 3195600 CPU: 9261.02, 0.00289746/step Wall: 9261.02, 0.00289746/step, 1.45227 hours remaining, 210.386719 MB of memory in use. ENERGY: 3195600 769.8521 2136.9482 1951.6858 123.8705 -205526.4785 17353.9629 0.0000 0.0000 33982.9096 -149207.2493 296.7812 -183190.1588 -149115.1927 298.9964 -249.8111 -216.0863 557055.3665 1.5394 1.4166 PRESSURE: 3195800 -84.3649 56.1846 43.6646 56.1833 79.4111 -178.582 43.6655 -178.583 -43.0522 GPRESSURE: 3195800 4.62454 140.729 95.0306 68.3049 46.2611 -173.834 -45.7685 -119.044 -2.71012 PRESSAVG: 3195800 -26.5591 5.25617 -5.87798 5.25614 1.04084 -24.9019 -5.87804 -24.9021 25.1039 GPRESSAVG: 3195800 -26.6178 4.86524 -6.67491 7.13654 1.16205 -28.2998 -6.77488 -23.7149 25.1195 TIMING: 3195800 CPU: 9261.6, 0.00289137/step Wall: 9261.6, 0.00289137/step, 1.44906 hours remaining, 210.386719 MB of memory in use. ENERGY: 3195800 750.4307 2119.5783 1963.9764 119.7789 -206267.6845 17945.0363 0.0000 0.0000 34191.9395 -149176.9444 298.6067 -183368.8839 -149080.7780 298.8221 -16.0020 16.0585 558027.6405 -0.1381 -0.1121 PRESSURE: 3196000 -226.917 -101.087 -46.9629 -101.087 -40.0178 -92.0648 -46.9618 -92.0646 -213.293 GPRESSURE: 3196000 -185.553 -178.124 -9.1724 26.3846 -12.1312 -98.6021 -87.3593 -78.2802 -184.314 PRESSAVG: 3196000 -46.8657 -10.3565 -6.86521 -10.3564 76.817 -32.0738 -6.86523 -32.0737 -4.78937 GPRESSAVG: 3196000 -46.6058 -10.6412 -6.93621 -10.3185 76.0222 -31.44 -6.54404 -31.0057 -4.35631 TIMING: 3196000 CPU: 9262.18, 0.00289266/step Wall: 9262.18, 0.00289266/step, 1.44955 hours remaining, 210.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3196000 753.3620 2071.2666 1969.8242 134.4737 -206109.7318 17713.4073 0.0000 0.0000 34356.6548 -149110.7433 300.0452 -183467.3980 -149012.7653 299.5619 -160.0758 -127.3328 559365.7340 8.3873 8.3534 PRESSURE: 3196200 187.886 -69.3898 38.0404 -69.3891 -204.423 42.2372 38.0408 42.2376 123.187 GPRESSURE: 3196200 165.599 -67.3546 -66.5125 0.767706 -124.274 10.3429 14.4571 99.6128 154.411 PRESSAVG: 3196200 -28.2902 25.1334 29.637 25.1333 -0.847642 -36.854 29.6369 -36.854 47.9377 GPRESSAVG: 3196200 -28.9305 23.741 31.757 24.3866 -0.0937533 -37.4243 26.338 -37.0288 48.0285 TIMING: 3196200 CPU: 9262.76, 0.00290371/step Wall: 9262.76, 0.00290371/step, 1.45492 hours remaining, 210.386719 MB of memory in use. ENERGY: 3196200 763.0867 2051.4626 1963.2379 100.1337 -206286.4919 17925.5027 0.0000 0.0000 34328.4801 -149154.5883 299.7992 -183483.0684 -149049.0444 299.4744 35.5501 65.2453 556873.7162 6.2666 6.3348 LDB: ============= START OF LOAD BALANCING ============== 9266.15 LDB: ============== END OF LOAD BALANCING =============== 9266.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9266.15 LDB: ============= START OF LOAD BALANCING ============== 9266.44 LDB: Largest compute 4800 load 0.020850 is 17.7% of average load 0.117927 LDB: Average compute 0.001738 is 1.5% of average load 0.117927 LDB: TIME 9266.44 LOAD: AVG 0.117927 MAX 0.179903 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.188 MB LDB: TIME 9266.44 LOAD: AVG 0.117927 MAX 0.179903 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.188 MB LDB: TIME 9266.44 LOAD: AVG 0.117927 MAX 0.179903 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9266.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9266.45 PRESSURE: 3196400 -202.86 161.274 23.2961 161.275 66.1696 117.688 23.296 117.688 -37.1193 GPRESSURE: 3196400 -216.695 23.6361 53.7492 223.694 40.3391 125.546 -73.5784 78.0617 99.5609 PRESSAVG: 3196400 -95.9552 -11.8549 -43.4094 -11.855 16.2105 5.77112 -43.4095 5.77122 91.4259 GPRESSAVG: 3196400 -96.0045 -9.70582 -45.0687 -13.5665 16.8641 7.33787 -42.7748 6.46962 90.7705 TIMING: 3196400 CPU: 9263.35, 0.00295866/step Wall: 9263.35, 0.00295866/step, 1.48229 hours remaining, 210.441406 MB of memory in use. ENERGY: 3196400 719.9240 2099.4398 1948.5861 106.8350 -205715.9140 17523.5817 0.0000 0.0000 34273.0524 -149044.4950 299.3151 -183317.5474 -148945.4805 299.9403 -57.9364 -25.5983 557172.5736 3.8937 3.8767 PRESSURE: 3196600 89.682 75.2316 98.2525 75.2318 187.18 76.5048 98.2522 76.5059 -188.517 GPRESSURE: 3196600 126.848 95.3828 159.274 103.978 201.735 22.7719 69.318 65.2131 -140.543 PRESSAVG: 3196600 -33.2427 19.3729 61.6272 19.3728 -13.6502 4.05232 61.6273 4.05217 13.0699 GPRESSAVG: 3196600 -33.5182 19.9835 61.2922 19.4148 -14.4094 3.08427 62.4162 0.18558 13.8732 TIMING: 3196600 CPU: 9263.93, 0.00289542/step Wall: 9263.93, 0.00289542/step, 1.45044 hours remaining, 210.644531 MB of memory in use. ENERGY: 3196600 728.1125 2047.4930 1949.5340 105.8807 -205828.6276 17595.4026 0.0000 0.0000 34330.6952 -149071.5096 299.8185 -183402.2047 -148968.2144 299.7528 29.4483 62.6798 556657.0627 -11.2743 -11.3515 PRESSURE: 3196800 -215.239 -80.7386 134.789 -80.7388 -300.659 35.75 134.789 35.7498 -312.018 GPRESSURE: 3196800 -205.147 -35.0459 190.565 -119.518 -200.672 7.81033 110.758 47.1079 -334.213 PRESSAVG: 3196800 -8.35181 -19.0474 17.9813 -19.0474 -11.7284 50.7297 17.9813 50.7297 17.5572 GPRESSAVG: 3196800 -7.08421 -19.6916 18.552 -18.5512 -12.2637 51.8355 18.5761 53.163 16.6678 TIMING: 3196800 CPU: 9264.51, 0.0029027/step Wall: 9264.51, 0.0029027/step, 1.45393 hours remaining, 210.761719 MB of memory in use. ENERGY: 3196800 762.9034 2059.1979 1938.1987 107.9511 -205620.6514 17297.7457 0.0000 0.0000 34329.6931 -149124.9616 299.8097 -183454.6547 -149031.1943 299.7021 -275.9721 -246.6775 557383.0969 -0.8410 -0.8934 PRESSURE: 3197000 260.087 -13.407 -223.588 -13.4075 307.541 -73.4127 -223.587 -73.4125 43.1766 GPRESSURE: 3197000 310.344 18.8444 -261.638 -37.4033 296.374 -87.6111 -156.606 -127.413 118.7 PRESSAVG: 3197000 7.64016 7.30681 38.6348 7.30687 21.4539 26.1107 38.6347 26.1106 7.84907 GPRESSAVG: 3197000 7.08098 8.51099 38.3892 7.81086 22.8361 27.2169 39.1724 25.6869 7.13447 TIMING: 3197000 CPU: 9265.09, 0.00290413/step Wall: 9265.09, 0.00290413/step, 1.45449 hours remaining, 210.761719 MB of memory in use. ENERGY: 3197000 736.3696 2065.8716 1934.7641 116.1465 -206173.4639 18058.9835 0.0000 0.0000 34083.2442 -149178.0844 297.6574 -183261.3286 -149079.6991 300.0764 203.6015 241.8059 556660.7289 12.3144 12.3505 PRESSURE: 3197200 -281.519 38.4751 28.5426 38.4751 -133.607 -5.57403 28.5414 -5.5742 -37.8046 GPRESSURE: 3197200 -196.596 77.3069 -6.6513 54.4108 -156.166 9.43268 87.0257 -34.2837 -6.50864 PRESSAVG: 3197200 32.3829 49.1852 -6.17723 49.1851 -27.2161 10.9335 -6.17721 10.9335 19.8033 GPRESSAVG: 3197200 31.5588 48.2568 -3.95863 49.6226 -27.7335 8.0791 -7.96219 12.6727 20.9428 TIMING: 3197200 CPU: 9265.67, 0.00291797/step Wall: 9265.67, 0.00291797/step, 1.46125 hours remaining, 210.761719 MB of memory in use. ENERGY: 3197200 746.2417 2070.6209 1946.7409 109.9252 -205874.8841 17574.7029 0.0000 0.0000 34310.2409 -149116.4117 299.6399 -183426.6526 -149018.5966 298.8707 -150.9768 -119.7568 558326.3013 8.3234 8.2560 PRESSURE: 3197400 103.31 -43.7182 -53.9019 -43.7187 -48.85 -143.386 -53.902 -143.384 349.969 GPRESSURE: 3197400 120.286 16.6694 111.204 -62.4544 2.93814 -181.079 -130.961 -80.2173 390.884 PRESSAVG: 3197400 57.764 -25.8814 30.4642 -25.8813 -42.0297 -7.15512 30.4642 -7.15509 -14.3868 GPRESSAVG: 3197400 57.8648 -25.3446 29.3617 -27.9924 -42.223 -4.85347 29.8064 -10.0225 -14.4073 TIMING: 3197400 CPU: 9266.25, 0.00289185/step Wall: 9266.25, 0.00289185/step, 1.44801 hours remaining, 210.761719 MB of memory in use. ENERGY: 3197400 717.8321 2071.8394 1957.5364 119.2423 -206260.5670 17897.4512 0.0000 0.0000 34361.5910 -149135.0744 300.0883 -183496.6655 -149033.6005 299.9321 134.8095 171.3697 557490.5527 0.4492 0.4115 PRESSURE: 3197600 -405.266 -49.5739 -83.9619 -49.5723 20.3937 173.221 -83.9628 173.222 143.614 GPRESSURE: 3197600 -357.166 -131.867 -129.376 -0.910093 96.5863 190.647 -133.553 199.658 133.141 PRESSAVG: 3197600 -11.9157 -23.2807 -58.2398 -23.2806 2.09822 18.1094 -58.2398 18.1095 20.8026 GPRESSAVG: 3197600 -11.1624 -24.0288 -60.4141 -19.3982 1.61527 17.308 -54.29 17.6161 20.3467 TIMING: 3197600 CPU: 9266.83, 0.00288213/step Wall: 9266.83, 0.00288213/step, 1.44298 hours remaining, 210.761719 MB of memory in use. ENERGY: 3197600 759.1718 2078.2408 1952.7903 107.3992 -206011.0951 17704.4020 0.0000 0.0000 34332.5841 -149076.5069 299.8350 -183409.0910 -148982.9247 299.8751 -80.4195 -42.4795 558047.2636 3.6617 3.5999 PRESSURE: 3197800 209.983 -208.835 103.481 -208.835 -50.1874 153.498 103.481 153.498 -105.46 GPRESSURE: 3197800 247.157 -131.71 120.743 -274.948 -52.698 124.939 80.0113 179.726 -52.8097 PRESSAVG: 3197800 0.338087 -30.8792 67.8437 -30.8792 -30.8733 48.093 67.8436 48.0929 48.3728 GPRESSAVG: 3197800 0.205433 -31.2227 70.6533 -32.7915 -30.796 45.9532 64.4265 50.4324 48.7656 TIMING: 3197800 CPU: 9267.41, 0.00290887/step Wall: 9267.41, 0.00290887/step, 1.45621 hours remaining, 210.761719 MB of memory in use. ENERGY: 3197800 767.5952 2121.0950 1960.2545 102.2833 -206472.9090 17886.4012 0.0000 0.0000 34356.7377 -149278.5422 300.0459 -183635.2798 -149183.7434 299.2889 18.1117 47.2165 556238.4343 5.9459 6.0584 PRESSURE: 3198000 23.2355 75.0023 94.5911 75.0031 -190.406 3.3281 94.5905 3.32864 -226.827 GPRESSURE: 3198000 69.6738 67.7428 85.0204 57.3938 -154.85 41.0874 36.5903 -75.0966 -217.355 PRESSAVG: 3198000 37.8639 -47.1754 62.4362 -47.1753 7.94483 9.1998 62.4362 9.19985 -34.5031 GPRESSAVG: 3198000 38.2636 -48.0053 60.203 -47.9679 7.1275 11.8021 64.3727 7.28903 -34.2706 TIMING: 3198000 CPU: 9267.99, 0.002893/step Wall: 9267.99, 0.002893/step, 1.44811 hours remaining, 210.761719 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: 3198000 742.9289 2070.8225 1953.6880 127.0800 -205932.8763 17577.7659 0.0000 0.0000 34107.0990 -149353.4919 297.8658 -183460.5908 -149260.2139 298.0658 -131.3325 -100.8435 558091.3404 3.7685 3.7068 PRESSURE: 3198200 -91.1905 69.2679 -70.1502 69.2677 0.918568 2.15194 -70.1506 2.15092 355.654 GPRESSURE: 3198200 -39.329 123.027 -109.44 6.08255 -0.776658 5.90572 -25.4711 11.2395 397.776 PRESSAVG: 3198200 -8.12974 -9.39969 21.6633 -9.39973 -8.73605 -41.511 21.6632 -41.5109 16.5266 GPRESSAVG: 3198200 -8.18531 -5.78244 22.7675 -8.21373 -8.91792 -43.0971 20.6711 -40.3371 16.5808 TIMING: 3198200 CPU: 9268.57, 0.00290667/step Wall: 9268.57, 0.00290667/step, 1.45479 hours remaining, 210.761719 MB of memory in use. ENERGY: 3198200 710.7927 2085.6751 1958.4305 116.2829 -206349.9636 17944.3310 0.0000 0.0000 34318.8500 -149215.6014 299.7151 -183534.4515 -149118.9759 299.5330 88.4606 119.2233 557971.7316 -0.1131 -0.1741 PRESSURE: 3198400 44.8946 15.8432 119.219 15.8425 181.754 41.4188 119.218 41.4174 14.9682 GPRESSURE: 3198400 69.4288 -58.7094 152.788 6.85319 179.631 128.755 107.937 -2.71301 88.9995 PRESSAVG: 3198400 29.9272 -25.2263 -9.74025 -25.2262 -9.35309 34.6367 -9.74024 34.6367 -0.823219 GPRESSAVG: 3198400 28.8788 -25.7148 -9.46744 -24.8967 -7.03754 36.4005 -10.1133 34.7032 -1.62031 TIMING: 3198400 CPU: 9269.15, 0.00290267/step Wall: 9269.15, 0.00290267/step, 1.45262 hours remaining, 210.761719 MB of memory in use. ENERGY: 3198400 709.5824 2124.1765 1977.6433 125.4342 -206397.4054 17907.7039 0.0000 0.0000 34269.7799 -149283.0851 299.2865 -183552.8651 -149193.0772 299.4197 80.5389 112.6863 557717.9418 6.5836 6.7403 PRESSURE: 3198600 -178.956 -85.923 -26.9773 -85.9236 31.5439 -27.4745 -26.9767 -27.4753 -164.477 GPRESSURE: 3198600 -117.491 -94.2927 -39.0045 -123.162 68.1652 -64.493 16.4888 -45.0665 -158.158 PRESSAVG: 3198600 7.22437 -17.8474 17.1163 -17.8473 8.09374 33.3511 17.1163 33.3511 -2.23653 GPRESSAVG: 3198600 7.55787 -16.8765 16.1582 -18.1259 6.93451 31.348 20.2697 32.4837 -1.7589 TIMING: 3198600 CPU: 9269.73, 0.00290147/step Wall: 9269.73, 0.00290147/step, 1.45186 hours remaining, 210.761719 MB of memory in use. ENERGY: 3198600 747.8210 2071.7317 1983.3306 123.5560 -206227.2762 17847.4610 0.0000 0.0000 34079.7280 -149373.6479 297.6267 -183453.3759 -149279.8339 298.5259 -103.9631 -69.1609 557927.1316 4.3605 4.2445 PRESSURE: 3198800 -117.812 69.2077 -44.4729 69.2079 -45.1129 142.595 -44.4724 142.595 -112.37 GPRESSURE: 3198800 -113.119 43.3968 -39.7952 -5.2436 -19.6648 132.698 -112.892 56.4905 -36.7978 PRESSAVG: 3198800 42.8661 44.3983 1.11488 44.3983 -1.44862 -34.2698 1.11478 -34.2697 -2.4072 GPRESSAVG: 3198800 43.06 45.0292 2.72053 43.6054 -2.19806 -32.0451 -2.62279 -36.5309 -1.94823 TIMING: 3198800 CPU: 9270.31, 0.00290609/step Wall: 9270.31, 0.00290609/step, 1.45401 hours remaining, 210.761719 MB of memory in use. ENERGY: 3198800 759.9349 2100.6995 1947.0454 104.8612 -206083.1658 17606.2495 0.0000 0.0000 34245.8204 -149318.5550 299.0773 -183564.3754 -149229.6394 298.7010 -91.7651 -56.5271 556620.7308 13.0034 12.9712 PRESSURE: 3199000 34.8766 -77.9728 -83.4552 -77.9744 -51.9674 0.755466 -83.4547 0.754386 -122.248 GPRESSURE: 3199000 46.7192 -23.6201 58.2816 -221.813 10.4811 -20.4389 -78.111 16.185 -98.2781 PRESSAVG: 3199000 -48.4622 4.16712 -23.5734 4.16711 51.228 10.443 -23.5734 10.4429 -4.53007 GPRESSAVG: 3199000 -48.6649 0.39144 -22.8824 4.86912 50.9339 9.10094 -20.8217 13.6792 -4.173 TIMING: 3199000 CPU: 9270.9, 0.00294837/step Wall: 9270.9, 0.00294837/step, 1.475 hours remaining, 210.761719 MB of memory in use. ENERGY: 3199000 744.3954 2095.4342 1956.8418 112.8640 -206031.7909 17652.7999 0.0000 0.0000 34083.3412 -149386.1144 297.6583 -183469.4556 -149283.2329 298.6263 -46.4462 -13.6926 558128.3275 -0.5881 -0.6347 PRESSURE: 3199200 121.761 -16.5935 10.3104 -16.5942 -194.58 -127.705 10.3096 -127.706 -156.957 GPRESSURE: 3199200 162.775 -67.9601 26.9864 -130.453 -143.93 -109.344 -23.2109 -113.699 -157.448 PRESSAVG: 3199200 37.4314 4.31142 21.6496 4.31134 3.26915 2.13048 21.6496 2.13064 -77.2486 GPRESSAVG: 3199200 37.8252 4.58171 19.8758 4.35269 3.56819 1.8003 21.1562 2.49039 -78.18 TIMING: 3199200 CPU: 9271.48, 0.00289396/step Wall: 9271.48, 0.00289396/step, 1.44762 hours remaining, 210.761719 MB of memory in use. ENERGY: 3199200 765.0291 2083.9448 1963.7556 108.5610 -206387.3970 17814.8359 0.0000 0.0000 34262.4482 -149388.8224 299.2225 -183651.2706 -149287.6647 299.0705 -76.5920 -46.2011 557277.2277 -12.1827 -12.2622 PRESSURE: 3199400 -18.5351 96.3188 -8.62157 96.3189 -157.846 -41.1399 -8.62293 -41.1404 22.2211 GPRESSURE: 3199400 42.1713 190.243 -4.9105 157.563 -160.314 12.7072 20.5637 -40.8806 68.0586 PRESSAVG: 3199400 -4.91979 -57.013 10.7855 -57.0131 35.6209 -6.46572 10.7855 -6.46569 15.7703 GPRESSAVG: 3199400 -3.81466 -53.78 13.5037 -56.61 35.7029 -5.58698 8.74366 -8.59773 14.3049 TIMING: 3199400 CPU: 9272.06, 0.00289895/step Wall: 9272.06, 0.00289895/step, 1.44996 hours remaining, 210.761719 MB of memory in use. ENERGY: 3199400 786.3900 2104.4529 1977.9974 113.8967 -206133.3469 17782.3111 0.0000 0.0000 34062.8810 -149305.4178 297.4796 -183368.2988 -149211.7973 299.5657 -51.3865 -16.6948 556846.6747 15.4905 15.3977 PRESSURE: 3199600 11.0147 -76.3324 15.6625 -76.3318 -226.672 -24.5003 15.6622 -24.5004 -159.805 GPRESSURE: 3199600 22.6134 -90.0611 -86.0245 -8.39159 -157.162 4.89926 32.9337 3.90677 -133.175 PRESSAVG: 3199600 -8.96977 26.364 29.8053 26.3639 49.9203 -26.7803 29.8052 -26.7803 -0.209227 GPRESSAVG: 3199600 -10.6837 25.1579 28.8835 25.4215 50.8191 -28.7114 30.9537 -24.8485 0.142036 TIMING: 3199600 CPU: 9272.65, 0.002933/step Wall: 9272.65, 0.002933/step, 1.46682 hours remaining, 210.761719 MB of memory in use. ENERGY: 3199600 734.5096 2066.7515 1959.0591 103.7848 -205644.3865 17349.4975 0.0000 0.0000 34264.7083 -149166.0757 299.2422 -183430.7840 -149066.6703 299.3181 -125.1541 -89.2414 556287.6335 13.5804 13.4258 PRESSURE: 3199800 129.749 7.02775 -150.919 7.02678 -31.9641 -25.1302 -150.918 -25.1293 -35.0668 GPRESSURE: 3199800 133.189 -13.1421 -102.494 16.0469 0.732362 45.6512 -87.5973 23.446 31.243 PRESSAVG: 3199800 4.13195 25.2025 34.6902 25.2026 5.03666 30.416 34.6901 30.416 -35.6991 GPRESSAVG: 3199800 4.07923 26.2463 34.6253 23.0363 4.89717 30.5433 35.1172 30.9198 -35.7146 TIMING: 3199800 CPU: 9273.23, 0.00290679/step Wall: 9273.23, 0.00290679/step, 1.45356 hours remaining, 210.761719 MB of memory in use. ENERGY: 3199800 751.5855 2128.9672 1939.0947 120.4240 -205919.5888 17669.4826 0.0000 0.0000 34148.0822 -149161.9526 298.2237 -183310.0348 -149068.2801 299.1804 20.9060 55.0547 557164.8626 -8.8435 -8.9127 WRITING VELOCITIES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3200000 WRITING COORDINATES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3200000 55.7188 -59.3239 -7.93355 -59.3244 -161.99 -7.16749 -7.93109 -7.16827 -95.4059 GPRESSURE: 3200000 115.868 -82.8774 -35.2967 -22.1251 -135.735 -70.2193 11.154 -36.938 -80.3624 PRESSAVG: 3200000 -11.8358 -29.9477 -1.51565 -29.9477 44.104 -41.4286 -1.51558 -41.4286 -35.8048 GPRESSAVG: 3200000 -11.5049 -29.1097 -0.713552 -28.7013 44.0895 -40.6395 -2.95138 -43.9562 -35.8075 TIMING: 3200000 CPU: 9273.83, 0.00299415/step Wall: 9273.83, 0.00299415/step, 1.49707 hours remaining, 210.761719 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: 3200000 741.1652 2139.3014 1970.9609 105.8361 -206186.9622 17709.7171 0.0000 0.0000 34238.9528 -149281.0286 299.0173 -183519.9814 -149181.7301 298.3272 -67.2256 -33.4098 557272.5383 -1.1789 -1.0743 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 PRESSURE: 3200200 66.2585 -25.7468 -40.2759 -25.7481 59.5819 -18.0655 -40.2768 -18.0649 419.284 GPRESSURE: 3200200 119.125 11.8209 -11.6923 -68.3912 135.82 -48.0391 -36.8709 20.7183 389.235 PRESSAVG: 3200200 -94.1887 38.9735 29.8519 38.9736 69.7233 10.2171 29.852 10.2171 12.4711 GPRESSAVG: 3200200 -94.7776 36.9207 27.6436 37.4204 69.0598 9.38643 31.5551 13.2139 13.7184 TIMING: 3200200 CPU: 9274.41, 0.00291099/step Wall: 9274.41, 0.00291099/step, 1.45533 hours remaining, 210.761719 MB of memory in use. ENERGY: 3200200 748.5466 2093.0414 1951.4837 118.7141 -206806.5988 18170.8803 0.0000 0.0000 34227.4447 -149496.4878 298.9168 -183723.9325 -149405.2690 298.7219 181.7081 214.7270 556570.4443 -3.9981 -3.9998 LDB: ============= START OF LOAD BALANCING ============== 9277.79 LDB: ============== END OF LOAD BALANCING =============== 9277.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9277.8 LDB: ============= START OF LOAD BALANCING ============== 9278.08 LDB: Largest compute 4772 load 0.020249 is 17.2% of average load 0.117912 LDB: Average compute 0.001727 is 1.5% of average load 0.117912 LDB: TIME 9278.09 LOAD: AVG 0.117912 MAX 0.179993 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.559 MB LDB: TIME 9278.09 LOAD: AVG 0.117912 MAX 0.179993 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.762 MB LDB: TIME 9278.09 LOAD: AVG 0.117912 MAX 0.179993 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.762 MB LDB: ============== END OF LOAD BALANCING =============== 9278.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9278.09 PRESSURE: 3200400 -170.091 67.6772 106.046 67.6764 -113.393 -152.602 106.045 -152.603 -151.551 GPRESSURE: 3200400 -135.111 42.2425 66.5364 12.7757 -0.787236 -153.265 127.491 -51.3405 -192.111 PRESSAVG: 3200400 -3.0857 64.8848 75.7718 64.8848 10.7711 1.86428 75.7719 1.86422 -6.55007 GPRESSAVG: 3200400 -3.32133 65.7229 77.3405 66.632 11.9217 2.23056 75.0355 -1.29928 -6.94744 TIMING: 3200400 CPU: 9275, 0.00293745/step Wall: 9275, 0.00293745/step, 1.4684 hours remaining, 210.457031 MB of memory in use. ENERGY: 3200400 768.4264 2150.1301 1931.5151 129.5365 -205881.4223 17629.4812 0.0000 0.0000 33891.8956 -149380.4374 295.9864 -183272.3330 -149288.4937 298.3852 -145.0118 -109.3364 558169.8184 0.3785 0.5510 PRESSURE: 3200600 -86.5103 -35.6884 231.229 -35.6888 -426.415 -3.26633 231.228 -3.26609 -228.1 GPRESSURE: 3200600 -52.4416 -88.4871 159.442 -40.2247 -385.709 126.457 89.9011 -22.4954 -198.332 PRESSAVG: 3200600 -31.5948 -17.9521 -1.00301 -17.9521 20.9945 -8.64028 -1.00287 -8.64033 26.6412 GPRESSAVG: 3200600 -31.1681 -18.1321 -2.80195 -18.7772 18.5032 -8.25609 -1.19659 -6.64917 28.6291 TIMING: 3200600 CPU: 9275.58, 0.00289122/step Wall: 9275.58, 0.00289122/step, 1.44513 hours remaining, 210.457031 MB of memory in use. ENERGY: 3200600 708.5607 2064.3119 1940.8627 107.6597 -206118.4240 17436.7259 0.0000 0.0000 34459.9725 -149400.3307 300.9475 -183860.3032 -149292.0010 298.7107 -247.0086 -212.1610 558195.3815 5.3470 5.3214 PRESSURE: 3200800 -82.0767 -73.3278 191.023 -73.328 -28.7006 133.291 191.023 133.289 96.6881 GPRESSURE: 3200800 -12.1426 -57.7991 205.279 -120.089 43.1601 148.964 186.864 87.277 60.0908 PRESSAVG: 3200800 25.8341 -63.1873 15.5606 -63.1873 -48.5723 62.3511 15.5605 62.3511 11.857 GPRESSAVG: 3200800 27.1652 -64.6491 16.0967 -61.9854 -46.9951 61.2845 14.7938 61.9989 9.4073 TIMING: 3200800 CPU: 9276.15, 0.00288586/step Wall: 9276.15, 0.00288586/step, 1.44229 hours remaining, 210.457031 MB of memory in use. ENERGY: 3200800 734.4682 2119.2286 1952.3128 108.4435 -206385.2511 17818.6402 0.0000 0.0000 34175.1439 -149477.0138 298.4600 -183652.1578 -149384.0658 297.9547 -4.6964 30.3695 556630.4187 -3.6270 -3.4742 PRESSURE: 3201000 -288.258 -180.936 70.0206 -180.935 -347.839 -5.35695 70.0198 -5.35804 9.14625 GPRESSURE: 3201000 -320.098 -114.709 88.4962 -269.503 -223.975 32.2208 24.7228 60.7112 17.492 PRESSAVG: 3201000 19.0646 -56.6357 56.9407 -56.6357 -26.4646 -16.4725 56.9408 -16.4725 55.6686 GPRESSAVG: 3201000 18.0887 -53.7335 56.1799 -58.4723 -28.3143 -15.1242 59.1188 -15.5559 57.7442 TIMING: 3201000 CPU: 9276.73, 0.00289578/step Wall: 9276.73, 0.00289578/step, 1.44709 hours remaining, 210.527344 MB of memory in use. ENERGY: 3201000 727.8788 2057.9911 1951.6729 114.3648 -206416.0033 17686.3280 0.0000 0.0000 34414.5151 -149463.2527 300.5505 -183877.7677 -149360.1909 297.6885 -208.9833 -175.5270 558317.2730 16.0895 15.8395 PRESSURE: 3201200 65.0736 158.213 -94.0967 158.214 347.704 100.569 -94.0975 100.569 47.8304 GPRESSURE: 3201200 136.747 170.228 -67.5137 183.771 332.725 70.5948 -71.9813 98.7723 74.501 PRESSAVG: 3201200 -2.92004 -33.5561 -4.37404 -33.556 -5.49496 56.0283 -4.37406 56.0283 -3.70406 GPRESSAVG: 3201200 -2.99517 -36.4425 -3.75365 -30.0646 -3.88197 53.7422 -7.08308 54.5039 -5.29377 TIMING: 3201200 CPU: 9277.31, 0.00289812/step Wall: 9277.31, 0.00289812/step, 1.44809 hours remaining, 210.527344 MB of memory in use. ENERGY: 3201200 746.9563 2071.1487 1922.1714 103.4711 -206626.7929 18097.4589 0.0000 0.0000 34133.3651 -149552.2214 298.0952 -183685.5865 -149454.1368 298.1146 153.5360 181.3245 557457.5805 -4.0397 -4.0570 PRESSURE: 3201400 71.1723 10.2917 -36.9794 10.2921 43.6572 166.265 -36.979 166.266 208.56 GPRESSURE: 3201400 120.811 78.4868 -133.905 -88.6167 75.6675 192.756 4.98368 152.247 229.579 PRESSAVG: 3201400 -29.3371 28.0303 -2.56767 28.0303 -60.8724 44.2586 -2.5677 44.2586 65.9183 GPRESSAVG: 3201400 -28.2573 29.9895 -1.35409 26.5861 -62.1988 45.2041 -0.999474 44.7941 66.1486 TIMING: 3201400 CPU: 9277.89, 0.0029041/step Wall: 9277.89, 0.0029041/step, 1.45092 hours remaining, 210.527344 MB of memory in use. ENERGY: 3201400 757.6885 2021.0882 1942.2159 103.7135 -206729.9795 18096.1633 0.0000 0.0000 34245.7093 -149563.4009 299.0763 -183809.1102 -149469.5686 297.6924 107.7965 142.0192 556396.5544 -8.0971 -8.1025 PRESSURE: 3201600 -76.5216 77.0976 200.379 77.0982 -219.054 52.4201 200.381 52.4204 -34.6931 GPRESSURE: 3201600 -53.3186 75.5261 165.504 42.5798 -132.928 -73.5946 194.299 173.783 -45.5669 PRESSAVG: 3201600 10.4479 58.3018 4.13854 58.3018 12.1807 7.80195 4.13847 7.80183 -17.7657 GPRESSAVG: 3201600 9.06183 56.335 3.93204 58.8717 13.7044 8.66568 3.28992 6.28829 -18.0468 TIMING: 3201600 CPU: 9278.47, 0.00290439/step Wall: 9278.47, 0.00290439/step, 1.45091 hours remaining, 210.527344 MB of memory in use. ENERGY: 3201600 741.8345 2086.2750 1961.3342 109.0941 -206397.5918 17730.1551 0.0000 0.0000 34068.1956 -149700.7033 297.5260 -183768.8989 -149609.4936 297.7921 -110.0896 -77.2712 556411.1154 1.6210 1.5731 PRESSURE: 3201800 139.591 186.352 -41.4169 186.351 -319.198 -62.4472 -41.4159 -62.4466 -219.9 GPRESSURE: 3201800 149.221 187.18 -68.7265 89.0447 -303.7 112.477 -2.66038 -162.428 -147.741 PRESSAVG: 3201800 51.5134 15.3064 13.9013 15.3063 -33.2601 -0.583048 13.9012 -0.582983 5.71072 GPRESSAVG: 3201800 51.8083 15.9202 14.3061 15.4109 -33.2261 1.77266 13.5545 -0.946265 5.21546 TIMING: 3201800 CPU: 9279.06, 0.00291994/step Wall: 9279.06, 0.00291994/step, 1.45851 hours remaining, 210.527344 MB of memory in use. ENERGY: 3201800 764.8710 2021.0940 1960.6965 113.6132 -206267.7189 17637.1748 0.0000 0.0000 34100.9045 -149669.3648 297.8117 -183770.2693 -149580.0228 298.4286 -133.1690 -100.7402 556324.3283 7.9880 7.9326 PRESSURE: 3202000 -107.205 -90.9336 24.2417 -90.9343 -241.402 39.1261 24.2425 39.1243 -97.1683 GPRESSURE: 3202000 -88.9448 -146.609 -44.9338 -80.1501 -199.141 46.3133 -2.12814 55.4536 -71.5281 PRESSAVG: 3202000 68.8444 -28.8706 -27.5406 -28.8706 -38.6527 -0.0346577 -27.5407 -0.0346347 -36.7011 GPRESSAVG: 3202000 68.1833 -30.1053 -29.0588 -28.256 -39.505 -0.33307 -27.5883 2.19668 -35.2381 TIMING: 3202000 CPU: 9279.64, 0.0029283/step Wall: 9279.64, 0.0029283/step, 1.46252 hours remaining, 210.527344 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: 3202000 740.9163 2070.6239 1958.0604 111.6655 -206087.8735 17468.6131 0.0000 0.0000 34068.2756 -149669.7188 297.5267 -183737.9944 -149577.9642 298.0788 -148.5919 -119.8714 556252.0720 -2.1698 -2.1866 PRESSURE: 3202200 67.6906 -184.304 169.041 -184.304 -18.5534 -92.3521 169.041 -92.3532 -121.776 GPRESSURE: 3202200 111.355 -167.121 125.758 -182.041 -0.336673 14.0519 217.906 -116.233 -70.4637 PRESSAVG: 3202200 73.7211 -11.5423 11.7683 -11.5423 -62.3798 -50.492 11.7683 -50.492 3.84686 GPRESSAVG: 3202200 74.2014 -8.8255 11.1457 -12.4995 -62.5016 -52.375 12.5833 -50.5765 3.30167 TIMING: 3202200 CPU: 9280.23, 0.00291497/step Wall: 9280.23, 0.00291497/step, 1.4557 hours remaining, 210.527344 MB of memory in use. ENERGY: 3202200 763.6875 2081.3517 1928.2482 115.1297 -206166.4602 17795.9199 0.0000 0.0000 34040.5289 -149441.5944 297.2844 -183482.1233 -149348.5488 298.8917 -24.2129 13.5183 555717.9796 5.0627 5.0005 PRESSURE: 3202400 111.636 -123.622 31.4648 -123.623 85.0444 32.5475 31.4642 32.5462 -211.208 GPRESSURE: 3202400 184.609 -170.901 6.06182 -164.084 130.789 -59.3472 96.7118 79.1928 -239.745 PRESSAVG: 3202400 8.94257 32.5477 16.5115 32.5476 -31.8037 4.90723 16.5115 4.90723 -22.3817 GPRESSAVG: 3202400 9.44943 31.4567 18.8245 34.1693 -31.8876 4.55417 14.828 6.65128 -22.5694 TIMING: 3202400 CPU: 9280.81, 0.00292759/step Wall: 9280.81, 0.00292759/step, 1.46185 hours remaining, 210.527344 MB of memory in use. ENERGY: 3202400 733.4875 2082.8866 1919.9870 109.3352 -206622.0114 17914.1273 0.0000 0.0000 34290.9865 -149571.2014 299.4717 -183862.1878 -149476.3333 298.0645 -4.8425 25.2176 556653.2715 -15.0810 -15.0025 PRESSURE: 3202600 -73.8212 9.88666 61.443 9.88731 -191.818 16.0919 61.4421 16.0921 -150.795 GPRESSURE: 3202600 -15.9544 -32.5403 12.1008 73.5085 -199.805 50.9573 96.8923 -13.256 -100.801 PRESSAVG: 3202600 32.332 -25.567 71.8046 -25.5669 -21.6206 5.47293 71.8046 5.47284 -2.81718 GPRESSAVG: 3202600 32.4474 -24.62 70.5919 -27.6282 -21.3109 6.07999 74.1439 4.17855 -3.06725 TIMING: 3202600 CPU: 9281.39, 0.00291584/step Wall: 9281.39, 0.00291584/step, 1.45581 hours remaining, 210.527344 MB of memory in use. ENERGY: 3202600 776.7234 2087.7931 1944.4479 114.6964 -206038.7980 17605.5454 0.0000 0.0000 34066.7954 -149442.7964 297.5138 -183509.5918 -149345.3556 298.2379 -138.8113 -105.5199 558106.0329 2.6314 2.6897 PRESSURE: 3202800 -189.782 26.1146 3.13904 26.1156 -225.227 166.633 3.13872 166.632 65.5825 GPRESSURE: 3202800 -148.688 77.9102 32.0401 90.0656 -209.616 117.713 116.02 199.962 107.886 PRESSAVG: 3202800 7.30859 5.22378 49.9844 5.22383 -24.8682 47.239 49.9844 47.2392 -11.0887 GPRESSAVG: 3202800 6.33953 5.65056 50.4824 5.58003 -23.7768 48.1314 48.6356 45.2326 -10.8139 TIMING: 3202800 CPU: 9281.97, 0.00289792/step Wall: 9281.97, 0.00289792/step, 1.4467 hours remaining, 210.527344 MB of memory in use. ENERGY: 3202800 723.9618 2099.0633 1919.5706 113.0026 -206289.6556 17719.4772 0.0000 0.0000 34314.5338 -149400.0463 299.6774 -183714.5801 -149302.7782 298.8831 -116.4753 -83.4728 557314.1178 -9.5494 -9.4171 PRESSURE: 3203000 5.99536 128.305 -82.2393 128.305 -66.1842 -347.667 -82.2396 -347.668 83.4173 GPRESSURE: 3203000 42.1648 176.831 -97.1017 109.859 -8.68839 -276.209 -72.8332 -410.177 92.2836 PRESSAVG: 3203000 15.3486 16.3031 -1.76274 16.303 -89.2836 45.6594 -1.76264 45.6594 48.5308 GPRESSAVG: 3203000 15.9134 15.9183 -3.36063 16.484 -89.1027 44.7263 -1.16698 45.6224 48.2897 TIMING: 3203000 CPU: 9282.56, 0.00291711/step Wall: 9282.56, 0.00291711/step, 1.45612 hours remaining, 210.527344 MB of memory in use. ENERGY: 3203000 729.2655 2100.3968 1954.5150 113.2486 -206578.1830 18117.7500 0.0000 0.0000 34166.6270 -149396.3802 298.3857 -183563.0071 -149298.3859 299.2137 7.7428 41.9200 557536.0045 -8.4681 -8.2998 PRESSURE: 3203200 -189.779 -66.4355 176.349 -66.4343 -237.377 -208.915 176.348 -208.914 -80.5073 GPRESSURE: 3203200 -189.131 12.1078 178.63 1.66168 -192.661 -149.988 97.0308 -222.904 -30.6106 PRESSAVG: 3203200 42.3305 3.63277 37.8813 3.63281 6.11831 -2.19783 37.8812 -2.19794 -31.3309 GPRESSAVG: 3203200 42.835 1.69888 38.8107 6.09906 6.0365 -0.996795 37.1934 -1.82389 -31.6936 TIMING: 3203200 CPU: 9283.14, 0.00290764/step Wall: 9283.14, 0.00290764/step, 1.45124 hours remaining, 210.527344 MB of memory in use. ENERGY: 3203200 757.3483 2086.8047 1962.7227 127.5656 -205914.1260 17462.9615 0.0000 0.0000 34109.8044 -149406.9188 297.8894 -183516.7232 -149304.3581 298.6216 -169.2211 -137.4677 558054.3749 5.7060 5.7259 PRESSURE: 3203400 29.5633 197.688 14.7691 197.689 57.9591 -67.8981 14.7698 -67.8983 -273.366 GPRESSURE: 3203400 37.6095 215.849 -1.95115 128.884 74.5406 9.05579 23.666 -35.7361 -200.673 PRESSAVG: 3203400 21.3215 22.8617 39.1692 22.8616 1.40503 -2.19913 39.1692 -2.19915 -56.6532 GPRESSAVG: 3203400 20.5534 22.9239 37.7209 21.5209 1.1871 -1.58657 41.969 -2.59976 -55.8728 TIMING: 3203400 CPU: 9283.72, 0.00289394/step Wall: 9283.72, 0.00289394/step, 1.44424 hours remaining, 210.527344 MB of memory in use. ENERGY: 3203400 787.4754 2105.3852 1946.1884 105.5006 -206592.5175 17893.9580 0.0000 0.0000 34299.8365 -149454.1733 299.5490 -183754.0098 -149354.0606 299.3829 -61.9478 -29.5076 556511.4455 -11.3089 -11.3774 PRESSURE: 3203600 -247.977 73.2012 7.756 73.1995 182.413 83.1741 7.75491 83.1746 -143.171 GPRESSURE: 3203600 -183.117 138.375 -56.5959 71.9292 162.276 34.1049 21.6933 77.1786 -88.1127 PRESSAVG: 3203600 16.6086 31.5959 2.07428 31.596 -1.39906 18.1753 2.07427 18.1753 -17.8879 GPRESSAVG: 3203600 17.5504 31.7102 2.3511 31.9382 -2.09525 16.4857 -0.291636 19.9218 -18.2856 TIMING: 3203600 CPU: 9284.3, 0.00288662/step Wall: 9284.3, 0.00288662/step, 1.44042 hours remaining, 210.527344 MB of memory in use. ENERGY: 3203600 794.9816 2062.4025 1955.1619 124.3218 -206395.6765 17840.0294 0.0000 0.0000 34245.5379 -149373.2415 299.0748 -183618.7794 -149280.1641 298.9730 -69.5781 -36.3181 557421.4334 -0.8928 -0.9435 PRESSURE: 3203800 -60.8939 112.57 101.047 112.571 -118.527 -107.178 101.047 -107.18 107.912 GPRESSURE: 3203800 9.31498 124.925 166.821 100.139 -81.573 -12.4622 152.435 -55.9303 86.6088 PRESSAVG: 3203800 22.91 -28.8969 44.8973 -28.897 -45.2229 -49.0564 44.8973 -49.0564 31.9661 GPRESSAVG: 3203800 20.9186 -29.0677 47.1467 -27.0995 -45.009 -49.3117 46.3648 -48.7459 33.5504 TIMING: 3203800 CPU: 9284.88, 0.00290508/step Wall: 9284.88, 0.00290508/step, 1.44947 hours remaining, 210.527344 MB of memory in use. ENERGY: 3203800 735.5210 2023.7299 1937.3526 110.9101 -206562.7317 17795.7970 0.0000 0.0000 34364.0523 -149595.3686 300.1098 -183959.4210 -149499.2761 298.9856 -23.8361 4.7836 555935.7064 3.2177 3.1533 PRESSURE: 3204000 -69.8189 -73.6859 84.195 -73.6863 -140.899 -87.1391 84.1951 -87.1387 60.2542 GPRESSURE: 3204000 -26.4204 -33.6707 132.296 -45.988 -84.0589 -63.0305 75.2888 12.239 62.6233 PRESSAVG: 3204000 -24.4535 17.2066 5.90935 17.2066 15.7735 -34.4819 5.90941 -34.4818 27.8547 GPRESSAVG: 3204000 -24.3193 17.0447 5.5954 15.4801 15.8672 -33.5249 3.82672 -36.2291 27.7717 TIMING: 3204000 CPU: 9285.46, 0.00291022/step Wall: 9285.46, 0.00291022/step, 1.45188 hours remaining, 210.527344 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: 3204000 729.2221 2056.2014 1945.6920 117.0005 -206260.5337 17722.4565 0.0000 0.0000 34142.8562 -149547.1049 298.1781 -183689.9611 -149455.1247 298.4626 -50.1545 -15.9520 559342.2461 6.3916 6.4399 PRESSURE: 3204200 -26.9511 51.5216 92.3847 51.5222 106.38 44.4459 92.3842 44.4449 231.768 GPRESSURE: 3204200 3.3404 109.624 67.8814 -98.6826 109.504 -32.1451 58.7303 9.04109 299.876 PRESSAVG: 3204200 -2.40149 4.82564 32.0333 4.82568 -27.0918 -17.1442 32.0332 -17.1441 2.68786 GPRESSAVG: 3204200 -1.58667 5.65206 32.8779 4.09137 -25.9063 -20.1392 32.7775 -16.0513 0.850782 TIMING: 3204200 CPU: 9286.04, 0.0029005/step Wall: 9286.04, 0.0029005/step, 1.44686 hours remaining, 210.527344 MB of memory in use. ENERGY: 3204200 730.7026 2119.2998 1960.3665 103.0953 -206553.3229 18018.8677 0.0000 0.0000 34198.5808 -149422.4101 298.6647 -183620.9909 -149324.6979 298.9801 103.7323 137.5733 556191.9619 -8.9351 -8.8807 LDB: ============= START OF LOAD BALANCING ============== 9289.42 LDB: ============== END OF LOAD BALANCING =============== 9289.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9289.42 LDB: ============= START OF LOAD BALANCING ============== 9289.71 LDB: Largest compute 4800 load 0.021824 is 18.5% of average load 0.117900 LDB: Average compute 0.001735 is 1.5% of average load 0.117900 LDB: TIME 9289.72 LOAD: AVG 0.1179 MAX 0.176458 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.594 MB LDB: TIME 9289.72 LOAD: AVG 0.1179 MAX 0.176458 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.625 MB LDB: TIME 9289.72 LOAD: AVG 0.1179 MAX 0.176458 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.625 MB LDB: ============== END OF LOAD BALANCING =============== 9289.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9289.72 PRESSURE: 3204400 -47.1216 43.7855 46.3931 43.7869 -157.152 -62.5409 46.3928 -62.5424 92.2653 GPRESSURE: 3204400 11.9485 25.1837 74.417 -22.8185 -81.6963 -66.6606 42.1195 -32.8352 60.9427 PRESSAVG: 3204400 12.9631 2.94072 -21.6618 2.94076 -41.6547 -60.3503 -21.6619 -60.3503 24.8752 GPRESSAVG: 3204400 12.3122 2.40517 -24.5141 5.02436 -41.3753 -57.8125 -18.3691 -58.9949 24.407 TIMING: 3204400 CPU: 9286.63, 0.00294232/step Wall: 9286.63, 0.00294232/step, 1.46756 hours remaining, 209.925781 MB of memory in use. ENERGY: 3204400 711.8136 2079.1484 1943.0371 110.1300 -205961.6692 17592.4772 0.0000 0.0000 34206.5057 -149318.5572 298.7339 -183525.0628 -149218.1316 298.9788 -37.3360 -2.9351 557416.2769 -1.2721 -1.5521 PRESSURE: 3204600 0.443548 90.2451 104.783 90.2433 253.865 2.03795 104.782 2.03795 -166.162 GPRESSURE: 3204600 -15.8714 43.0944 75.5708 0.405618 260.987 -53.8539 44.2302 -23.3259 -52.0506 PRESSAVG: 3204600 -28.3823 12.1034 -2.36013 12.1035 36.8311 -5.18338 -2.36031 -5.18328 55.4075 GPRESSAVG: 3204600 -28.3839 11.7198 -1.53247 8.52496 35.6699 -5.00166 -5.45689 -7.46041 56.9293 TIMING: 3204600 CPU: 9287.21, 0.00290003/step Wall: 9287.21, 0.00290003/step, 1.44631 hours remaining, 210.128906 MB of memory in use. ENERGY: 3204600 761.0191 2130.0276 1927.6931 116.2443 -206480.8123 17974.4296 0.0000 0.0000 34371.2372 -149200.1614 300.1726 -183571.3986 -149113.4814 299.2427 29.3822 64.3551 557070.0761 21.2854 21.4051 PRESSURE: 3204800 -5.52629 -28.0316 -5.54608 -28.0303 25.9719 -53.0435 -5.54743 -53.0411 -6.87837 GPRESSURE: 3204800 78.9113 46.005 -12.3259 -51.9607 20.3547 -89.8511 30.363 4.24519 5.03422 PRESSAVG: 3204800 -42.0607 -9.42871 0.447946 -9.42867 -42.7325 -11.7124 0.447971 -11.7125 31.9515 GPRESSAVG: 3204800 -40.6473 -8.87909 1.70734 -9.01441 -42.5617 -13.1124 4.16241 -9.33056 31.2347 TIMING: 3204800 CPU: 9287.79, 0.00290629/step Wall: 9287.79, 0.00290629/step, 1.44927 hours remaining, 210.128906 MB of memory in use. ENERGY: 3204800 757.9159 2072.0886 1947.3551 102.2056 -206360.9125 17801.0784 0.0000 0.0000 34358.1467 -149322.1222 300.0582 -183680.2690 -149219.9618 299.3448 4.5224 34.7667 556452.6542 -17.6139 -17.3248 PRESSURE: 3205000 -81.4061 24.3993 29.6667 24.3984 6.03996 27.213 29.6686 27.2131 -59.6428 GPRESSURE: 3205000 -26.2342 70.7907 -3.49564 -80.9762 48.286 35.3064 18.9518 -2.02616 -57.8768 PRESSAVG: 3205000 -76.634 -5.27081 57.2131 -5.27069 63.4319 47.8879 57.2132 47.8879 16.0923 GPRESSAVG: 3205000 -76.7679 -5.47589 57.0684 -2.94265 62.8141 48.6933 53.5867 45.6845 16.6263 TIMING: 3205000 CPU: 9288.37, 0.00292225/step Wall: 9288.37, 0.00292225/step, 1.45707 hours remaining, 210.128906 MB of memory in use. ENERGY: 3205000 810.6976 2045.3762 1949.6496 111.7381 -206185.2775 17726.4969 0.0000 0.0000 34298.8840 -149242.4350 299.5407 -183541.3190 -149138.4515 299.2132 -45.0030 -11.9417 556960.3702 0.9634 0.8908 PRESSURE: 3205200 59.7514 -159.65 89.7432 -159.651 -10.061 -101.437 89.7428 -101.436 -17.1447 GPRESSURE: 3205200 75.6967 -169.136 82.8042 -120.895 84.7024 -101.702 117.262 -83.5882 -22.6436 PRESSAVG: 3205200 -40.3774 -37.1795 89.3787 -37.1794 42.2323 55.7509 89.3788 55.7508 25.5198 GPRESSAVG: 3205200 -41.0673 -36.739 90.4188 -37.4515 43.2525 56.2707 89.6777 56.6254 25.7954 TIMING: 3205200 CPU: 9288.96, 0.00291135/step Wall: 9288.96, 0.00291135/step, 1.45147 hours remaining, 210.128906 MB of memory in use. ENERGY: 3205200 762.5576 2077.2358 1948.8638 118.0127 -206365.4071 17841.9621 0.0000 0.0000 34221.1844 -149395.5907 298.8621 -183616.7751 -149303.8556 299.3789 10.8486 45.9185 555719.8041 9.1249 9.3269 PRESSURE: 3205400 -193.761 167.222 87.5432 167.222 -130.922 -47.0149 87.5443 -47.0171 228.124 GPRESSURE: 3205400 -81.779 189.631 13.1101 148.275 -169.636 14.5238 104.781 -40.9504 243.201 PRESSAVG: 3205400 -73.0285 -4.69949 32.6443 -4.69951 13.549 8.64343 32.6443 8.64347 44.1881 GPRESSAVG: 3205400 -74.2382 -4.17425 32.5112 -6.22974 14.1203 8.19376 32.0459 8.18236 44.6371 TIMING: 3205400 CPU: 9289.53, 0.00289526/step Wall: 9289.53, 0.00289526/step, 1.44329 hours remaining, 210.128906 MB of memory in use. ENERGY: 3205400 733.3003 2142.2812 1959.1876 106.2146 -206379.3504 17831.3358 0.0000 0.0000 34102.9592 -149504.0718 297.8296 -183607.0310 -149406.3259 298.5013 -32.1863 -2.7382 556165.6110 -5.0971 -5.1603 PRESSURE: 3205600 -146.384 16.9372 78.12 16.9371 -90.7757 119.724 78.1189 119.724 244.813 GPRESSURE: 3205600 -97.1174 -9.28096 136.187 25.3126 -99.7026 103.747 130.14 105.121 313.093 PRESSAVG: 3205600 -25.3183 35.7062 63.251 35.7062 6.99129 -15.6969 63.251 -15.6971 -13.3268 GPRESSAVG: 3205600 -23.6648 36.1787 63.7728 35.6423 6.91889 -15.6266 63.0595 -16.1449 -14.3573 TIMING: 3205600 CPU: 9290.11, 0.00287765/step Wall: 9290.11, 0.00287765/step, 1.43435 hours remaining, 210.128906 MB of memory in use. ENERGY: 3205600 727.2561 2048.6446 1937.3807 117.8970 -206417.3588 17939.0676 0.0000 0.0000 34220.9825 -149426.1302 298.8604 -183647.1127 -149330.6742 298.6194 2.5508 38.7578 556531.5347 -10.5513 -10.3677 PRESSURE: 3205800 -149.081 72.7548 10.3993 72.7553 -243.623 -10.616 10.3997 -10.6156 -71.7217 GPRESSURE: 3205800 -136.979 175.985 -28.4333 4.63648 -188.765 17.1439 47.2086 -70.4872 -52.2321 PRESSAVG: 3205800 -48.9841 -11.051 44.6043 -11.051 46.761 -16.2405 44.6043 -16.2405 38.069 GPRESSAVG: 3205800 -49.5369 -11.6596 41.7702 -9.7174 47.8173 -16.8916 44.1556 -15.4921 37.6426 TIMING: 3205800 CPU: 9290.69, 0.00289475/step Wall: 9290.69, 0.00289475/step, 1.44271 hours remaining, 210.128906 MB of memory in use. ENERGY: 3205800 775.2840 2144.7835 1921.6152 121.1170 -206495.3322 17696.0455 0.0000 0.0000 34252.1717 -149584.3154 299.1327 -183836.4871 -149492.8970 298.5395 -154.8085 -125.9919 557805.7568 11.9486 11.9744 PRESSURE: 3206000 79.3104 122.593 45.4497 122.594 45.2576 87.6535 45.4494 87.6548 -12.2861 GPRESSURE: 3206000 172.303 112.021 -13.0449 82.7142 17.628 75.4801 126.1 177.128 18.1051 PRESSAVG: 3206000 -23.2692 -12.191 71.6354 -12.191 2.91426 55.7609 71.6355 55.7609 -6.88929 GPRESSAVG: 3206000 -23.085 -11.7117 73.7047 -11.6015 1.36509 55.7021 72.75 58.2921 -5.50908 TIMING: 3206000 CPU: 9291.26, 0.00287708/step Wall: 9291.26, 0.00287708/step, 1.43375 hours remaining, 210.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3206000 752.6942 2124.1560 1936.4377 119.7963 -206788.2582 18057.8279 0.0000 0.0000 34315.4573 -149481.8888 299.6854 -183797.3461 -149379.7654 299.3370 37.4273 69.3455 557825.3030 -9.0814 -9.0763 PRESSURE: 3206200 57.7422 7.70685 123.496 7.70593 -275.023 142.797 123.498 142.797 -25.9781 GPRESSURE: 3206200 18.905 46.9099 223.532 51.2802 -240.357 150.279 46.9445 125.733 78.7524 PRESSAVG: 3206200 38.6324 -31.2488 7.50402 -31.2489 22.5467 62.5962 7.50406 62.5961 -30.7285 GPRESSAVG: 3206200 38.3232 -32.9297 5.25633 -31.6253 22.8066 61.6748 9.42338 61.8144 -30.0573 TIMING: 3206200 CPU: 9291.84, 0.00289871/step Wall: 9291.84, 0.00289871/step, 1.44436 hours remaining, 210.128906 MB of memory in use. ENERGY: 3206200 761.3499 2109.3085 1932.2605 102.8436 -206386.0530 17921.0328 0.0000 0.0000 34160.5070 -149398.7507 298.3322 -183559.2577 -149299.6861 299.1342 -81.0864 -47.5666 559069.2517 10.1502 10.3575 PRESSURE: 3206400 275.255 -128.401 -92.0505 -128.401 111.502 -127.612 -92.0502 -127.613 54.2043 GPRESSURE: 3206400 268.962 -108.699 -185.147 -110.175 163.991 -121.663 -0.992261 -85.2659 98.5158 PRESSAVG: 3206400 -9.10634 -19.3287 12.3924 -19.3287 49.0249 -19.1732 12.3924 -19.1733 -36.7304 GPRESSAVG: 3206400 -10.3621 -18.5908 14.1024 -21.2121 50.2036 -19.8823 9.33513 -18.7307 -36.8741 TIMING: 3206400 CPU: 9292.42, 0.00286979/step Wall: 9292.42, 0.00286979/step, 1.42979 hours remaining, 210.128906 MB of memory in use. ENERGY: 3206400 744.8530 2110.6879 1943.0061 119.8449 -206885.2959 18165.8760 0.0000 0.0000 34531.3410 -149269.6869 301.5708 -183801.0279 -149179.5742 298.8329 146.9872 177.1561 556193.6641 1.0627 0.9891 PRESSURE: 3206600 23.8386 -148.987 -221.139 -148.987 10.507 -104.221 -221.14 -104.22 121.831 GPRESSURE: 3206600 110.866 -131.507 -344.146 -143.987 40.7219 -166.874 -149.412 20.6012 100.313 PRESSAVG: 3206600 -50.4609 -54.6988 21.6875 -54.6988 47.6103 28.5577 21.6875 28.5576 -3.16164 GPRESSAVG: 3206600 -49.0991 -55.1136 20.8009 -53.4211 46.6974 30.606 24.466 28.4822 -2.85312 TIMING: 3206600 CPU: 9292.99, 0.00288041/step Wall: 9292.99, 0.00288041/step, 1.43493 hours remaining, 210.128906 MB of memory in use. ENERGY: 3206600 764.6569 2099.1086 1942.2386 95.3366 -206534.2858 17916.4765 0.0000 0.0000 34349.2389 -149367.2296 299.9804 -183716.4685 -149270.7735 299.4189 52.0587 83.9669 556985.6417 -2.0041 -1.7516 PRESSURE: 3206800 32.8529 50.7674 -30.7988 50.7679 3.29197 27.2531 -30.7974 27.2532 174.848 GPRESSURE: 3206800 91.2451 62.6698 -86.6873 58.0594 11.7495 69.5392 20.1399 -15.1237 204.175 PRESSAVG: 3206800 -10.0539 -61.8928 -37.7493 -61.8928 21.3706 16.8601 -37.7494 16.8602 -6.05154 GPRESSAVG: 3206800 -8.88326 -62.2514 -36.4499 -61.4567 19.9293 15.5519 -37.6573 14.6191 -5.79268 TIMING: 3206800 CPU: 9293.57, 0.00287796/step Wall: 9293.57, 0.00287796/step, 1.43355 hours remaining, 210.128906 MB of memory in use. ENERGY: 3206800 733.6609 2109.7093 1955.8803 107.9352 -206303.5752 17796.3665 0.0000 0.0000 34311.9851 -149288.0378 299.6551 -183600.0229 -149181.4682 298.5483 70.3308 102.3898 556887.2624 1.7551 1.7511 PRESSURE: 3207000 483.189 78.6608 2.27879 78.6616 -68.0719 -130.258 2.27861 -130.258 31.4308 GPRESSURE: 3207000 424.391 144.943 1.79562 -39.7753 24.7589 -128.276 -31.1984 -117.773 91.3652 PRESSAVG: 3207000 15.7908 -14.0815 -30.9888 -14.0815 6.19997 18.2161 -30.9888 18.216 -1.01616 GPRESSAVG: 3207000 15.1243 -11.2235 -33.019 -17.1724 8.43929 17.8278 -28.8126 19.0502 -2.30972 TIMING: 3207000 CPU: 9294.15, 0.00287905/step Wall: 9294.15, 0.00287905/step, 1.43393 hours remaining, 210.128906 MB of memory in use. ENERGY: 3207000 746.3067 2081.2301 1941.3803 115.8891 -206610.1255 17927.9860 0.0000 0.0000 34494.1847 -149303.1486 301.2463 -183797.3334 -149205.2937 299.4012 148.8494 180.1718 554737.5798 6.9915 7.0846 PRESSURE: 3207200 -238.118 178.437 -34.1625 178.438 225.983 43.4539 -34.1623 43.4555 86.3704 GPRESSURE: 3207200 -136.948 193.031 4.96736 152.53 234.003 -4.37606 -29.5434 87.8678 86.988 PRESSAVG: 3207200 -2.61212 4.01524 1.7384 4.01533 58.6146 -31.5841 1.73846 -31.5841 -53.7148 GPRESSAVG: 3207200 -1.95717 1.68737 2.99673 5.80404 56.5724 -31.0469 -1.97818 -32.2609 -52.7777 TIMING: 3207200 CPU: 9294.72, 0.00288068/step Wall: 9294.72, 0.00288068/step, 1.43458 hours remaining, 210.128906 MB of memory in use. ENERGY: 3207200 693.6875 2052.0972 1980.6687 97.1196 -206159.9387 17829.0088 0.0000 0.0000 34291.6135 -149215.7434 299.4772 -183507.3569 -149120.0847 299.5685 24.7451 61.3477 556725.4609 0.7625 0.6125 PRESSURE: 3207400 147.079 93.1411 -149.247 93.1401 -132.698 -35.5852 -149.248 -35.5827 -98.138 GPRESSURE: 3207400 203.661 116.209 -172.127 87.1732 -78.3573 -61.897 -88.6167 -27.3356 -105.554 PRESSAVG: 3207400 -45.7468 0.716365 32.1102 0.71642 25.7309 -34.1488 32.1102 -34.1488 24.0291 GPRESSAVG: 3207400 -46.5494 0.151368 33.1193 2.94966 27.2431 -33.1258 31.9935 -34.2091 23.2429 TIMING: 3207400 CPU: 9295.3, 0.00289259/step Wall: 9295.3, 0.00289259/step, 1.44035 hours remaining, 210.128906 MB of memory in use. ENERGY: 3207400 710.6421 2169.7252 1944.6991 117.9691 -206224.1880 17714.2863 0.0000 0.0000 34271.6407 -149295.2256 299.3028 -183566.8662 -149193.7992 299.0924 -27.9190 6.5834 557155.5267 1.3377 1.3122 PRESSURE: 3207600 -5.7497 3.63437 56.3143 3.634 19.037 50.4345 56.313 50.4356 8.44296 GPRESSURE: 3207600 -21.5959 18.2759 2.39909 31.4995 55.7957 76.3858 98.2843 18.7863 76.8823 PRESSAVG: 3207600 -23.9375 38.0615 9.68647 38.0614 -27.7628 -17.4104 9.68644 -17.4105 88.9127 GPRESSAVG: 3207600 -23.9229 37.965 8.45439 34.997 -28.1266 -18.7085 10.9015 -15.9087 89.4688 TIMING: 3207600 CPU: 9295.88, 0.00287677/step Wall: 9295.88, 0.00287677/step, 1.43231 hours remaining, 210.128906 MB of memory in use. ENERGY: 3207600 771.0630 2077.6052 1924.2741 115.1292 -205971.2446 17698.9141 0.0000 0.0000 34294.0185 -149090.2405 299.4982 -183384.2591 -148988.5942 299.5743 7.2434 37.0274 556880.4754 12.4041 12.4731 PRESSURE: 3207800 118.573 -104.876 -68.4294 -104.877 -39.1294 103.754 -68.4303 103.753 9.53099 GPRESSURE: 3207800 173.167 -90.9859 -16.7683 -94.29 -68.9001 91.0224 -74.5958 60.5797 82.0614 PRESSAVG: 3207800 -43.6872 1.94463 -18.4946 1.94464 -8.71059 4.64499 -18.4947 4.64482 30.7009 GPRESSAVG: 3207800 -43.0826 3.88279 -18.3309 2.11484 -9.50064 4.86249 -17.5154 2.71561 30.5477 TIMING: 3207800 CPU: 9296.45, 0.00289701/step Wall: 9296.45, 0.00289701/step, 1.44223 hours remaining, 210.128906 MB of memory in use. ENERGY: 3207800 749.8039 2106.5607 1956.4297 99.6981 -206056.5846 17808.6545 0.0000 0.0000 34322.6135 -149012.8242 299.7479 -183335.4377 -148917.2377 299.0110 29.6583 62.1095 557506.9083 -7.2323 -7.3452 PRESSURE: 3208000 139.64 -42.6138 -28.1128 -42.6132 -47.3857 48.5164 -28.1131 48.5166 348.348 GPRESSURE: 3208000 166.304 39.6365 34.603 -83.2599 -3.80154 63.2819 -3.37567 -7.966 378.794 PRESSAVG: 3208000 6.72784 -32.6982 -46.2552 -32.6981 -43.6459 61.5084 -46.2551 61.5084 46.4431 GPRESSAVG: 3208000 7.37503 -34.0102 -45.7699 -32.0141 -43.2373 62.6522 -47.0595 61.0026 45.7186 TIMING: 3208000 CPU: 9297.04, 0.0029177/step Wall: 9297.04, 0.0029177/step, 1.45236 hours remaining, 210.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3208000 736.8657 2146.8530 1957.9833 109.1937 -206588.0660 18122.1167 0.0000 0.0000 34422.3643 -149092.6893 300.6191 -183515.0536 -148995.3808 299.5152 146.8675 180.4320 557216.5456 3.1750 3.2855 PRESSURE: 3208200 157.921 -38.8409 -98.5785 -38.8403 45.1238 -5.01823 -98.5789 -5.01903 79.0856 GPRESSURE: 3208200 169.558 46.0065 -105.531 -81.9813 17.8698 76.9593 -113.592 1.14119 200.277 PRESSAVG: 3208200 30.2371 -9.05082 78.755 -9.05086 -62.858 7.80224 78.755 7.80233 56.7548 GPRESSAVG: 3208200 30.2112 -10.5956 78.0735 -9.60524 -63.9531 5.60181 79.9244 9.22033 57.3499 TIMING: 3208200 CPU: 9297.62, 0.00290727/step Wall: 9297.62, 0.00290727/step, 1.44701 hours remaining, 210.128906 MB of memory in use. ENERGY: 3208200 758.6582 2095.6242 1965.3064 124.1863 -205777.0825 17623.8362 0.0000 0.0000 34143.0405 -149066.4307 298.1797 -183209.4712 -148975.0477 299.7912 94.0435 129.2349 557631.9870 8.0446 7.8693 LDB: ============= START OF LOAD BALANCING ============== 9301.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9301.01 LDB: =============== DONE WITH MIGRATION ================ 9301.01 LDB: ============= START OF LOAD BALANCING ============== 9301.3 LDB: Largest compute 4772 load 0.022015 is 18.6% of average load 0.118045 LDB: Average compute 0.001731 is 1.5% of average load 0.118045 LDB: TIME 9301.31 LOAD: AVG 0.118045 MAX 0.179318 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.621 MB LDB: TIME 9301.31 LOAD: AVG 0.118045 MAX 0.179318 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.625 MB LDB: TIME 9301.31 LOAD: AVG 0.118045 MAX 0.179318 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.625 MB LDB: ============== END OF LOAD BALANCING =============== 9301.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9301.31 PRESSURE: 3208400 -115.336 158.767 43.8932 158.769 -7.11835 -426.386 43.8918 -426.385 25.7228 GPRESSURE: 3208400 -57.6693 241.073 104.724 137.048 -4.3637 -373.476 20.9347 -379.781 64.1662 PRESSAVG: 3208400 -5.37974 6.35874 -19.8609 6.35878 35.2497 -27.0538 -19.861 -27.0538 -22.2176 GPRESSAVG: 3208400 -5.70494 8.51557 -20.0756 6.36095 36.1548 -25.4679 -19.9767 -27.3837 -23.443 TIMING: 3208400 CPU: 9298.22, 0.00298124/step Wall: 9298.22, 0.00298124/step, 1.48366 hours remaining, 210.421875 MB of memory in use. ENERGY: 3208400 757.2453 2144.4331 1958.7645 109.2339 -206033.1902 17676.2254 0.0000 0.0000 34312.9538 -149074.3341 299.6636 -183387.2879 -148981.9286 299.6612 -32.2439 0.7111 557620.2330 2.5508 2.3356 PRESSURE: 3208600 106.989 -19.8827 30.8046 -19.8847 180.56 -83.9439 30.8035 -83.943 -85.9806 GPRESSURE: 3208600 164.554 -98.95 37.6319 5.6134 167.29 -74.7712 -53.1813 -98.7513 -31.4403 PRESSAVG: 3208600 -11.9897 -24.4289 61.7161 -24.4289 -5.23203 7.51202 61.7161 7.51201 2.37084 GPRESSAVG: 3208600 -11.5323 -25.2745 61.2683 -22.6734 -5.40147 7.44501 60.2255 5.89718 2.34339 TIMING: 3208600 CPU: 9298.8, 0.0029363/step Wall: 9298.8, 0.0029363/step, 1.46114 hours remaining, 210.492188 MB of memory in use. ENERGY: 3208600 754.4596 2097.0621 1928.2697 114.3071 -206556.2863 17993.4114 0.0000 0.0000 34442.6935 -149226.0828 300.7966 -183668.7763 -149124.4552 299.2153 67.1893 100.1345 555904.2851 -4.9503 -4.8635 PRESSURE: 3208800 -229.617 -17.0185 -41.688 -17.0169 31.6409 -127.666 -41.6893 -127.665 -7.54439 GPRESSURE: 3208800 -119.323 -2.59854 -93.3095 -29.7824 23.3574 -133.69 27.812 -88.2035 -12.435 PRESSAVG: 3208800 -32.243 -8.22891 -14.3906 -8.22885 -2.78695 23.0664 -14.3906 23.0664 3.14383 GPRESSAVG: 3208800 -33.5278 -8.84607 -15.5511 -9.53078 -2.37239 23.5393 -12.5106 23.6527 3.91657 TIMING: 3208800 CPU: 9299.38, 0.00290115/step Wall: 9299.38, 0.00290115/step, 1.44348 hours remaining, 210.492188 MB of memory in use. ENERGY: 3208800 774.1121 2072.7077 1967.8941 111.9038 -206368.4396 17795.9075 0.0000 0.0000 34314.5468 -149331.3678 299.6775 -183645.9145 -149235.1016 299.1661 -68.5067 -36.1336 556832.7034 -10.6287 -10.6612 PRESSURE: 3209000 -75.5459 -111.906 -183.165 -111.906 -402.92 -198.943 -183.165 -198.943 44.248 GPRESSURE: 3209000 -21.5822 -53.9613 -264.14 -114.295 -398.52 -160.531 -162.02 -237.549 88.4161 PRESSAVG: 3209000 -41.5259 28.8405 -63.4116 28.8404 -14.9791 -36.7943 -63.4116 -36.7944 48.6369 GPRESSAVG: 3209000 -40.6891 27.1692 -61.6155 30.1733 -14.9423 -37.6764 -66.8743 -36.1448 48.3061 TIMING: 3209000 CPU: 9299.96, 0.00288153/step Wall: 9299.96, 0.00288153/step, 1.43356 hours remaining, 210.492188 MB of memory in use. ENERGY: 3209000 763.0187 2068.3450 1968.9261 126.2341 -206259.0997 17753.6952 0.0000 0.0000 34244.9317 -149333.9488 299.0695 -183578.8805 -149237.8192 298.9950 -144.7392 -110.5619 557597.4986 -2.6227 -2.4418 PRESSURE: 3209200 76.6292 77.7462 -55.1181 77.7464 174.37 -86.6587 -55.1176 -86.6599 283.557 GPRESSURE: 3209200 88.2831 25.544 -127.954 15.5844 223.922 -144.475 35.9011 -99.4688 336.766 PRESSAVG: 3209200 -6.47012 -7.40077 1.66068 -7.40075 -76.1757 17.5839 1.66061 17.584 59.0074 GPRESSAVG: 3209200 -7.30294 -6.98296 2.69434 -9.29054 -76.3558 17.1854 2.4771 18.5087 60.2198 TIMING: 3209200 CPU: 9300.54, 0.00289078/step Wall: 9300.54, 0.00289078/step, 1.438 hours remaining, 210.492188 MB of memory in use. ENERGY: 3209200 752.8063 2021.6797 1953.3238 104.2407 -206610.8309 18286.2703 0.0000 0.0000 34178.3365 -149314.1737 298.4879 -183492.5102 -149219.1799 299.4695 178.1855 216.3238 558302.1734 -7.8795 -7.8130 PRESSURE: 3209400 -127.711 -7.41021 39.9201 -7.41222 -302.995 79.1749 39.9202 79.1753 -565.332 GPRESSURE: 3209400 -82.7242 27.9724 47.2015 27.8537 -234.141 103.417 51.8088 114.767 -566.416 PRESSAVG: 3209400 -47.92 -18.9911 -8.32413 -18.9911 47.6135 11.7291 -8.32421 11.7292 -11.323 GPRESSAVG: 3209400 -46.9338 -16.702 -9.34225 -17.6805 47.4798 10.0854 -5.81461 12.1677 -12.213 TIMING: 3209400 CPU: 9301.12, 0.00291355/step Wall: 9301.12, 0.00291355/step, 1.44917 hours remaining, 210.492188 MB of memory in use. ENERGY: 3209400 724.5554 2077.2872 1942.6797 117.7240 -205818.9088 17429.5022 0.0000 0.0000 34311.1341 -149216.0260 299.6477 -183527.1601 -149116.3535 299.1233 -332.0128 -294.4271 559191.4364 -3.8765 -3.8890 PRESSURE: 3209600 -391.496 82.4849 -155.242 82.4854 -133.887 77.1862 -155.242 77.186 -272.953 GPRESSURE: 3209600 -408.318 103.538 -130.881 166.046 -85.008 107.702 -123.091 107.364 -214.863 PRESSAVG: 3209600 17.277 35.8295 29.9462 35.8295 26.4872 17.5207 29.9461 17.5208 -50.4449 GPRESSAVG: 3209600 16.8111 35.146 30.292 36.1724 26.6464 19.4977 28.0782 15.5387 -50.1316 TIMING: 3209600 CPU: 9301.7, 0.00291782/step Wall: 9301.7, 0.00291782/step, 1.45113 hours remaining, 210.492188 MB of memory in use. ENERGY: 3209600 776.3999 2112.9468 1948.4820 109.7769 -205921.6182 17537.4869 0.0000 0.0000 34160.6561 -149275.8697 298.3335 -183436.5257 -149175.6316 299.0868 -266.1120 -236.0630 559291.4611 -2.2269 -2.2247 PRESSURE: 3209800 258.383 6.10862 353.913 6.10865 -26.5407 -60.2824 353.911 -60.2819 0.68817 GPRESSURE: 3209800 255.885 21.8612 335.666 21.7114 -10.4607 -146.878 389.994 -50.6502 74.3801 PRESSAVG: 3209800 9.12613 23.2568 42.4039 23.2568 -4.51528 15.053 42.4039 15.0531 -14.1136 GPRESSAVG: 3209800 8.84368 24.5787 42.0419 20.8339 -4.52696 14.5903 40.2942 15.3781 -13.4912 TIMING: 3209800 CPU: 9302.28, 0.00288131/step Wall: 9302.28, 0.00288131/step, 1.43281 hours remaining, 210.492188 MB of memory in use. ENERGY: 3209800 775.5153 2060.1924 1922.5089 116.7055 -206171.6745 17884.0507 0.0000 0.0000 34160.5022 -149252.1996 298.3322 -183412.7018 -149156.3665 298.7618 77.5101 106.6016 556628.3673 -3.1676 -3.0581 PRESSURE: 3210000 21.3162 -24.7022 -113.265 -24.7027 1.4602 111.344 -113.265 111.343 -27.4537 GPRESSURE: 3210000 27.383 -26.1432 -35.5822 -4.27794 44.1911 77.4172 -52.1618 150.008 25.3671 PRESSAVG: 3210000 61.6853 -17.1602 0.99942 -17.1602 -31.1813 12.4794 0.999441 12.4795 9.70973 GPRESSAVG: 3210000 61.7198 -17.5593 -1.35775 -15.7381 -30.9412 12.6873 4.12446 10.298 9.3216 TIMING: 3210000 CPU: 9302.86, 0.00289544/step Wall: 9302.86, 0.00289544/step, 1.43968 hours remaining, 210.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3210000 756.1395 2079.5750 1952.4483 110.5758 -205999.8001 17750.2415 0.0000 0.0000 34305.2476 -149045.5725 299.5963 -183350.8201 -148945.6874 299.5306 -1.5591 32.3138 555788.0739 13.4046 13.3667 PRESSURE: 3210200 -322.211 176.624 -86.0185 176.622 -130.416 166.15 -86.0175 166.148 -128.224 GPRESSURE: 3210200 -306.971 211.902 38.835 89.4168 -105.343 120.05 -144.65 79.2346 -75.1005 PRESSAVG: 3210200 48.0248 22.6373 27.2179 22.6373 10.8028 105.262 27.2179 105.262 -3.05296 GPRESSAVG: 3210200 48.4661 22.7581 28.215 20.772 9.40344 105.874 27.8379 106.368 -2.76319 TIMING: 3210200 CPU: 9303.44, 0.00289867/step Wall: 9303.44, 0.00289867/step, 1.44112 hours remaining, 210.492188 MB of memory in use. ENERGY: 3210200 777.7783 2113.1766 1938.9087 117.2897 -205772.5993 17400.5186 0.0000 0.0000 34315.5543 -149109.3730 299.6863 -183424.9273 -149012.1210 300.1183 -193.6167 -162.4713 557337.2037 18.5915 18.3688 PRESSURE: 3210400 -122.639 89.7745 36.0632 89.775 221.026 -82.553 36.0633 -82.5518 147 GPRESSURE: 3210400 -78.0644 145.477 -87.9948 37.8228 281.564 -57.2951 14.9471 -111.851 145.428 PRESSAVG: 3210400 -34.9033 9.48425 -1.60072 9.48423 -0.0667055 43.5463 -1.60072 43.5464 8.43966 GPRESSAVG: 3210400 -35.2228 8.92628 0.0701335 12.494 1.29505 44.0255 -5.06493 43.5625 7.98321 TIMING: 3210400 CPU: 9304.02, 0.00288774/step Wall: 9304.02, 0.00288774/step, 1.43553 hours remaining, 210.492188 MB of memory in use. ENERGY: 3210400 709.7440 2107.4273 1973.5355 117.7403 -206091.2702 17803.5789 0.0000 0.0000 34323.9494 -149055.2949 299.7596 -183379.2443 -148963.6127 299.4458 81.7956 116.3090 556938.9807 -8.8434 -8.6482 PRESSURE: 3210600 -365.389 51.6871 -14.011 51.6856 -38.565 28.0717 -14.0109 28.0712 -146.666 GPRESSURE: 3210600 -295.371 36.1769 25.1094 68.6695 -8.41641 7.82844 -0.119218 73.684 -150.031 PRESSAVG: 3210600 20.0617 -5.41069 -9.1889 -5.41075 34.1291 40.8185 -9.1888 40.8185 -40.1989 GPRESSAVG: 3210600 20.3427 -7.95688 -7.576 -6.00067 33.3538 39.6646 -7.28461 41.2491 -39.9019 TIMING: 3210600 CPU: 9304.6, 0.00290521/step Wall: 9304.6, 0.00290521/step, 1.44405 hours remaining, 210.492188 MB of memory in use. ENERGY: 3210600 710.0961 2083.7842 1947.0894 119.2493 -205558.8921 17473.9781 0.0000 0.0000 34263.3026 -148961.3924 299.2299 -183224.6949 -148867.1239 300.0242 -183.5401 -151.2728 558491.8951 4.6639 4.5982 PRESSURE: 3210800 -241.546 231.213 91.5119 231.214 122.865 127.275 91.5123 127.275 -118.552 GPRESSURE: 3210800 -223.951 275.822 92.7172 190.117 87.2877 108.078 125.677 165.558 -11.4368 PRESSAVG: 3210800 26.7733 -14.1577 35.8661 -14.1577 -22.2233 35.0204 35.8662 35.0204 -29.4914 GPRESSAVG: 3210800 26.5097 -12.1978 36.0615 -12.5753 -21.9849 35.0319 34.9837 34.1626 -29.8494 TIMING: 3210800 CPU: 9305.17, 0.00288197/step Wall: 9305.17, 0.00288197/step, 1.43234 hours remaining, 210.492188 MB of memory in use. ENERGY: 3210800 794.9722 2109.2942 1973.2729 118.4054 -205941.3311 17735.2172 0.0000 0.0000 34217.5801 -148992.5892 298.8306 -183210.1693 -148896.2434 299.6906 -79.0778 -49.3667 556485.2579 -8.3138 -8.4415 PRESSURE: 3211000 28.702 39.3225 1.52143 39.3214 19.8096 -1.2358 1.52273 -1.23623 -109.289 GPRESSURE: 3211000 49.0415 11.7985 22.2709 81.603 37.5295 52.7785 -38.684 -36.9659 -37.6989 PRESSAVG: 3211000 -37.2886 10.7747 39.0742 10.7747 62.7529 -16.9375 39.0741 -16.9373 -59.9599 GPRESSAVG: 3211000 -36.5572 9.64532 37.183 6.92243 61.6582 -18.5701 39.6505 -17.033 -60.1011 TIMING: 3211000 CPU: 9305.75, 0.00288247/step Wall: 9305.75, 0.00288247/step, 1.43243 hours remaining, 210.492188 MB of memory in use. ENERGY: 3211000 730.6402 2073.1073 1944.3372 131.3829 -206247.1215 17927.4213 0.0000 0.0000 34237.5579 -149202.6747 299.0051 -183440.2326 -149105.9956 299.3924 -20.2590 16.2907 558077.9417 -11.4985 -11.6667 PRESSURE: 3211200 166.337 19.9125 105.297 19.9133 11.9707 -62.4883 105.297 -62.4874 26.8028 GPRESSURE: 3211200 198.287 97.5513 74.6327 121.032 28.0775 -38.3247 156.411 -91.2261 79.0713 PRESSAVG: 3211200 44.3914 29.23 21.9859 29.2301 2.41965 -32.4051 21.9859 -32.405 -68.6827 GPRESSAVG: 3211200 45.1172 32.2422 22.7173 30.2363 2.10779 -31.7212 22.1483 -31.3911 -68.4768 TIMING: 3211200 CPU: 9306.33, 0.00290173/step Wall: 9306.33, 0.00290173/step, 1.44184 hours remaining, 210.492188 MB of memory in use. ENERGY: 3211200 728.0548 2072.0155 1953.6409 114.5324 -206234.8237 17957.7037 0.0000 0.0000 34274.2642 -149134.6123 299.3257 -183408.8765 -149041.6628 299.7038 68.3702 101.8120 558455.5783 -7.2906 -7.0840 PRESSURE: 3211400 -27.1092 44.5719 135.126 44.5724 -28.7523 -72.3779 135.126 -72.378 42.5283 GPRESSURE: 3211400 24.8018 -58.5977 220.699 85.0258 -12.2713 -140.676 49.8655 -40.6854 67.4062 PRESSAVG: 3211400 -48.9206 7.44735 -9.66747 7.44736 24.4925 6.45052 -9.66739 6.45063 -13.506 GPRESSAVG: 3211400 -49.5021 5.238 -10.6432 8.22141 26.0446 6.31084 -9.07583 7.73449 -14.7721 TIMING: 3211400 CPU: 9306.91, 0.00287393/step Wall: 9306.91, 0.00287393/step, 1.42786 hours remaining, 210.492188 MB of memory in use. ENERGY: 3211400 746.3847 2072.4561 1936.4909 121.0974 -206139.0725 17747.9634 0.0000 0.0000 34405.1397 -149109.5403 300.4686 -183514.6800 -149013.3911 300.0624 -4.4444 26.6455 556650.7729 -12.6447 -12.7432 PRESSURE: 3211600 -254.591 15.0674 16.8223 15.0676 -3.12088 -114.423 16.8212 -114.422 -49.0443 GPRESSURE: 3211600 -198.991 34.6985 106.244 24.6777 8.46909 -149.105 -46.7421 -4.51715 -17.1988 PRESSAVG: 3211600 -38.8051 11.5968 48.3793 11.597 -6.20696 40.3197 48.3793 40.3197 21.8329 GPRESSAVG: 3211600 -39.0064 13.4267 50.2936 11.8873 -7.22293 39.5911 45.9171 40.11 22.2146 TIMING: 3211600 CPU: 9307.48, 0.00287736/step Wall: 9307.48, 0.00287736/step, 1.42941 hours remaining, 210.492188 MB of memory in use. ENERGY: 3211600 767.8109 2088.9294 1948.9195 124.5653 -205858.1313 17661.5339 0.0000 0.0000 34365.3046 -148901.0677 300.1208 -183266.3722 -148813.9152 299.9239 -102.2521 -69.2402 558453.7256 -7.7264 -8.0049 PRESSURE: 3211800 -92.0014 -7.10065 41.7326 -7.10069 14.7342 9.75097 41.7322 9.75167 -10.4496 GPRESSURE: 3211800 -57.1855 18.106 8.24989 -21.3624 12.6199 -5.38186 40.7009 75.7238 51.6565 PRESSAVG: 3211800 17.4828 -22.701 22.1612 -22.7009 -25.6966 15.4365 22.1613 15.4365 7.93209 GPRESSAVG: 3211800 18.0818 -23.6915 20.4539 -23.3937 -26.2554 15.0168 22.7175 14.3278 7.85295 TIMING: 3211800 CPU: 9308.06, 0.00290107/step Wall: 9308.06, 0.00290107/step, 1.44103 hours remaining, 210.492188 MB of memory in use. ENERGY: 3211800 786.5128 2125.2565 1951.4986 96.7978 -206196.8526 17851.5205 0.0000 0.0000 34370.0240 -149015.2424 300.1620 -183385.2664 -148924.7161 299.6765 -29.2389 2.3636 557089.2657 -0.0939 -0.1069 PRESSURE: 3212000 -32.2045 235.609 36.6125 235.609 -170.923 -63.5491 36.6111 -63.5508 -73.4077 GPRESSURE: 3212000 36.3714 294.766 74.6083 213.488 -158.253 -172.744 106.19 -41.2929 -45.6815 PRESSAVG: 3212000 74.4856 -14.9039 -37.084 -14.9039 6.54675 49.6287 -37.0841 49.6286 -14.7272 GPRESSAVG: 3212000 73.0404 -15.2897 -36.6122 -13.9014 6.6609 52.7124 -33.5518 49.7025 -13.6572 TIMING: 3212000 CPU: 9308.64, 0.00289389/step Wall: 9308.64, 0.0028939/step, 1.4373 hours remaining, 210.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3212000 737.5927 2111.2217 1964.7698 113.7069 -205988.8832 17644.7791 0.0000 0.0000 34323.2800 -149093.5330 299.7537 -183416.8130 -148999.6268 300.5478 -92.1782 -55.8543 557421.1860 22.1017 22.0147 PRESSURE: 3212200 449.735 135.417 113.933 135.418 253.19 -93.4759 113.934 -93.4766 225.509 GPRESSURE: 3212200 497.99 135.551 163.584 205.759 251.415 -62.4495 -0.135416 -94.783 273.26 PRESSAVG: 3212200 -0.902929 66.0814 39.9915 66.0814 33.3979 -6.29412 39.9915 -6.29402 -73.0457 GPRESSAVG: 3212200 -0.304849 66.6885 40.1922 65.9801 33.3408 -8.29178 37.1854 -5.10409 -73.6159 TIMING: 3212200 CPU: 9309.22, 0.00288438/step Wall: 9309.22, 0.00288439/step, 1.43242 hours remaining, 210.492188 MB of memory in use. ENERGY: 3212200 752.8845 2096.2874 1958.3922 123.0105 -206466.7249 18304.4323 0.0000 0.0000 34484.2574 -148747.4605 301.1596 -183231.7180 -148658.1403 299.8591 309.4778 340.8885 556394.4229 -13.5169 -13.5267 LDB: ============= START OF LOAD BALANCING ============== 9312.6 LDB: ============== END OF LOAD BALANCING =============== 9312.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9312.6 LDB: ============= START OF LOAD BALANCING ============== 9312.89 LDB: Largest compute 4772 load 0.022937 is 19.4% of average load 0.117957 LDB: Average compute 0.001739 is 1.5% of average load 0.117957 LDB: TIME 9312.9 LOAD: AVG 0.117957 MAX 0.182753 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.168 MB LDB: TIME 9312.9 LOAD: AVG 0.117957 MAX 0.182753 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.238 MB LDB: TIME 9312.9 LOAD: AVG 0.117957 MAX 0.182753 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.238 MB LDB: ============== END OF LOAD BALANCING =============== 9312.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9312.9 PRESSURE: 3212400 260.931 70.7819 -44.7441 70.7817 34.8533 -10.563 -44.7424 -10.5637 103.541 GPRESSURE: 3212400 264.797 75.0836 -9.96659 62.4201 147.702 -73.6602 -31.2036 43.4545 87.6279 PRESSAVG: 3212400 4.34705 18.5986 -27.6254 18.5986 43.7043 1.35014 -27.6255 1.3501 -3.88588 GPRESSAVG: 3212400 4.09138 18.7408 -27.9373 18.3213 44.1362 2.36228 -26.7227 1.30345 -3.96209 TIMING: 3212400 CPU: 9309.81, 0.00295298/step Wall: 9309.81, 0.00295298/step, 1.46632 hours remaining, 209.878906 MB of memory in use. ENERGY: 3212400 708.6964 2156.5011 1931.9125 105.3744 -205949.2106 17902.0531 0.0000 0.0000 34552.1524 -148592.5207 301.7525 -183144.6731 -148502.0279 301.3460 133.1084 166.7087 558174.7059 14.7218 14.7552 PRESSURE: 3212600 54.396 -67.9084 116.175 -67.9094 -161.914 19.293 116.175 19.2933 -34.5386 GPRESSURE: 3212600 83.8459 -25.9207 180.648 -97.2929 -130.283 100.603 84.3115 -54.6797 -1.3475 PRESSAVG: 3212600 97.025 5.62293 -1.69165 5.62293 -69.4583 5.55805 -1.69164 5.55817 12.1085 GPRESSAVG: 3212600 97.7228 5.26095 -1.61426 6.47909 -70.2578 6.26342 -3.93236 4.42596 12.3099 TIMING: 3212600 CPU: 9310.39, 0.00291097/step Wall: 9310.39, 0.00291097/step, 1.4453 hours remaining, 210.078125 MB of memory in use. ENERGY: 3212600 770.1642 2125.0923 1959.9820 108.6911 -205869.9783 17695.3235 0.0000 0.0000 34444.3919 -148766.3333 300.8114 -183210.7253 -148668.0169 300.7479 -47.3521 -15.9283 559075.9958 13.2250 13.2583 PRESSURE: 3212800 -68.3493 61.5697 12.2496 61.5703 -218.208 -98.7006 12.2486 -98.7014 13.7671 GPRESSURE: 3212800 -3.2507 32.5262 -26.7879 25.0404 -142.642 -142.934 43.313 -37.3177 -31.748 PRESSAVG: 3212800 52.2996 12.3488 -21.3359 12.3488 -56.3616 -23.4317 -21.336 -23.4317 17.1015 GPRESSAVG: 3212800 52.8466 14.3763 -21.232 9.97222 -55.3955 -23.7186 -20.6208 -21.7938 15.9386 TIMING: 3212800 CPU: 9310.98, 0.00293504/step Wall: 9310.98, 0.00293504/step, 1.45709 hours remaining, 210.078125 MB of memory in use. ENERGY: 3212800 765.1597 2088.7231 1980.7733 129.1538 -205667.1950 17572.5390 0.0000 0.0000 34142.5942 -148988.2518 298.1758 -183130.8460 -148889.3734 300.1872 -90.9300 -59.2136 558547.1078 4.3465 4.4632 PRESSURE: 3213000 111.519 -66.2294 25.6261 -66.2292 86.603 55.8295 25.6256 55.8311 138.527 GPRESSURE: 3213000 121.317 -114.136 63.8075 30.7558 164.285 -13.8281 48.9935 148.27 142.511 PRESSAVG: 3213000 5.25817 -2.88828 -12.5108 -2.88825 19.3576 -5.6454 -12.5107 -5.64537 -8.16864 GPRESSAVG: 3213000 3.20137 -5.7751 -12.6514 -0.191644 19.59 -5.64538 -9.30604 -7.5188 -6.99888 TIMING: 3213000 CPU: 9311.56, 0.00290601/step Wall: 9311.56, 0.00290601/step, 1.44251 hours remaining, 210.078125 MB of memory in use. ENERGY: 3213000 725.7726 2082.4210 1937.6766 99.8234 -205802.2160 17741.9630 0.0000 0.0000 34260.5451 -148954.0143 299.2059 -183214.5594 -148855.9062 299.4673 112.2165 142.7041 556588.8740 5.4824 5.2642 PRESSURE: 3213200 200.383 37.0881 -116.969 37.0884 -34.7137 -89.256 -116.968 -89.258 -35.3478 GPRESSURE: 3213200 271.907 67.0817 -97.4989 -39.598 -18.6764 -47.2996 -119.984 -4.02682 -14.7476 PRESSAVG: 3213200 -20.6108 -10.0329 -25.447 -10.0328 17.4201 -56.7631 -25.4471 -56.763 -1.03475 GPRESSAVG: 3213200 -19.6151 -9.62903 -24.6911 -11.3662 17.1887 -57.2672 -28.3757 -54.334 -2.33876 TIMING: 3213200 CPU: 9312.14, 0.00291993/step Wall: 9312.14, 0.00291993/step, 1.44926 hours remaining, 210.078125 MB of memory in use. ENERGY: 3213200 722.9440 2091.0666 1948.6815 111.6942 -206214.7408 17932.2505 0.0000 0.0000 34405.5645 -149002.5395 300.4724 -183408.1040 -148903.8265 299.0954 43.4406 79.4945 557268.3540 -1.4085 -1.5884 PRESSURE: 3213400 72.7055 20.7588 -212.933 20.7581 86.8657 -73.4312 -212.933 -73.4317 66.5904 GPRESSURE: 3213400 123.251 10.65 -176.47 -13.0479 123.475 -79.2702 -277.76 -29.7553 65.8429 PRESSAVG: 3213400 41.3815 1.641 -54.1031 1.64104 -43.8661 -16.6081 -54.1031 -16.6081 21.4236 GPRESSAVG: 3213400 41.1797 0.88205 -54.4134 1.19588 -43.9931 -15.313 -53.7489 -19.6572 21.9347 TIMING: 3213400 CPU: 9312.72, 0.00290385/step Wall: 9312.72, 0.00290385/step, 1.44112 hours remaining, 210.078125 MB of memory in use. ENERGY: 3213400 732.6328 2062.3375 1934.2412 123.1578 -206197.8991 17796.1969 0.0000 0.0000 34555.6432 -148993.6898 301.7830 -183549.3330 -148902.8979 300.1336 75.3872 104.1896 556541.3971 6.3130 6.3737 PRESSURE: 3213600 -117.283 -98.2096 -326.747 -98.2095 2.22504 -22.0705 -326.748 -22.0703 121.652 GPRESSURE: 3213600 -107.243 -172.918 -392.214 -102.088 55.0806 -12.5627 -287.829 71.0282 155.868 PRESSAVG: 3213600 58.6696 -7.02831 -119.776 -7.02824 -42.7767 -48.6227 -119.776 -48.6227 36.7192 GPRESSAVG: 3213600 59.5467 -3.95133 -119.842 -5.8099 -43.6994 -50.1386 -119.944 -45.7649 37.0193 TIMING: 3213600 CPU: 9313.31, 0.00291839/step Wall: 9313.31, 0.00291839/step, 1.44817 hours remaining, 210.078125 MB of memory in use. ENERGY: 3213600 771.9966 2074.5102 1935.6167 105.7676 -206291.4684 17855.6461 0.0000 0.0000 34408.8598 -149139.0715 300.5011 -183547.9312 -149044.8234 300.3793 2.1981 34.5683 557490.5371 17.5374 17.6222 PRESSURE: 3213800 106.957 94.4712 -37.7159 94.4711 -175.113 -149.57 -37.7155 -149.569 31.9818 GPRESSURE: 3213800 113.118 117.063 -67.9641 108.51 -152.304 -133.936 8.48896 -137.269 111.773 PRESSAVG: 3213800 7.79321 58.6554 -57.5927 58.6554 -87.8182 -16.0009 -57.5926 -16.0009 62.3094 GPRESSAVG: 3213800 6.97434 57.0735 -56.3172 59.6266 -88.2026 -17.4615 -55.9937 -16.5767 63.7404 TIMING: 3213800 CPU: 9313.89, 0.00292516/step Wall: 9313.89, 0.00292516/step, 1.45137 hours remaining, 210.078125 MB of memory in use. ENERGY: 3213800 748.1063 2024.6735 1940.0949 100.3712 -206161.5652 17787.4601 0.0000 0.0000 34298.6383 -149262.2208 299.5385 -183560.8591 -149165.0692 299.3870 -12.0581 24.1957 558139.5565 -5.9052 -5.8293 PRESSURE: 3214000 155.978 103.78 146.931 103.78 -47.0309 63.0199 146.93 63.0208 94.5282 GPRESSURE: 3214000 229.337 122.438 143.944 87.1563 24.5404 71.2358 16.5563 103.16 42.8189 PRESSAVG: 3214000 2.28613 40.1722 -31.5331 40.1723 -77.4106 -34.4984 -31.533 -34.4985 38.8182 GPRESSAVG: 3214000 2.6084 41.3189 -32.5681 37.7513 -75.7557 -30.8038 -34.2462 -37.7115 37.3775 TIMING: 3214000 CPU: 9314.47, 0.00291141/step Wall: 9314.47, 0.00291141/step, 1.44438 hours remaining, 210.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3214000 795.1195 2081.5020 1920.9976 120.3689 -206420.7146 17893.8054 0.0000 0.0000 34326.7757 -149282.1455 299.7843 -183608.9212 -149181.1708 299.3940 67.8250 98.8987 556800.7285 -12.1021 -11.9233 PRESSURE: 3214200 6.47543 83.9339 -189.33 83.9346 61.3359 -8.13541 -189.329 -8.13325 56.2179 GPRESSURE: 3214200 28.6191 62.1703 -189.865 59.2513 89.7725 9.71322 -230.507 -32.9472 88.7683 PRESSAVG: 3214200 67.9288 43.1426 -66.5488 43.1426 -27.0182 -17.4054 -66.5488 -17.4053 17.3485 GPRESSAVG: 3214200 67.2557 39.452 -65.6305 47.2611 -26.3001 -18.4371 -66.4061 -15.9729 16.9968 TIMING: 3214200 CPU: 9315.05, 0.00290439/step Wall: 9315.05, 0.00290439/step, 1.44074 hours remaining, 210.078125 MB of memory in use. ENERGY: 3214200 712.4500 2153.9599 1936.1923 114.1864 -206335.2903 17840.3708 0.0000 0.0000 34250.6280 -149327.5029 299.1193 -183578.1309 -149232.3633 299.7137 41.3431 69.0533 556988.6841 19.4197 19.3175 PRESSURE: 3214400 -322.065 118.483 23.4308 118.483 -292.01 189.57 23.431 189.569 -484.535 GPRESSURE: 3214400 -300.453 85.2812 82.3993 80.1623 -319.118 172.674 -52.9994 240.22 -379.243 PRESSAVG: 3214400 -7.77054 43.0111 -90.0035 43.011 27.7924 52.7607 -90.0035 52.7606 3.05032 GPRESSAVG: 3214400 -8.43582 44.667 -90.8865 40.248 27.0079 51.7656 -87.1882 53.3842 4.30565 TIMING: 3214400 CPU: 9315.64, 0.0029158/step Wall: 9315.64, 0.0029158/step, 1.44623 hours remaining, 210.078125 MB of memory in use. ENERGY: 3214400 753.9314 2081.3718 1964.5353 120.4178 -205726.0825 17248.6664 0.0000 0.0000 34165.3281 -149391.8318 298.3743 -183557.1599 -149303.8709 299.2653 -366.2031 -332.9381 557397.7955 7.6907 7.6259 PRESSURE: 3214600 -361.438 -13.2313 -108.119 -13.2309 -268.393 -68.4786 -108.118 -68.4772 36.0225 GPRESSURE: 3214600 -274.659 -14.368 -147.192 -33.0984 -226.269 6.45641 -115.949 -47.6253 12.0068 PRESSAVG: 3214600 7.91713 85.7829 -40.9377 85.7829 -1.43574 9.00523 -40.9377 9.00527 24.131 GPRESSAVG: 3214600 9.35998 87.8736 -40.6885 84.6245 -2.15792 8.74111 -41.1763 9.72119 23.8257 TIMING: 3214600 CPU: 9316.22, 0.00290143/step Wall: 9316.22, 0.00290143/step, 1.43895 hours remaining, 210.078125 MB of memory in use. ENERGY: 3214600 778.1373 2091.6113 1934.1907 127.1615 -206088.7051 17497.1033 0.0000 0.0000 34131.6801 -149528.8209 298.0805 -183660.5010 -149436.1752 299.0885 -197.9360 -162.9739 554496.4115 10.2041 10.3426 PRESSURE: 3214800 -89.5383 -66.0048 -139.742 -66.0052 -25.4428 104.462 -139.743 104.462 -128.202 GPRESSURE: 3214800 -77.914 -172.261 -183.908 -9.06458 29.0771 109.948 -177.801 43.4952 -85.2472 PRESSAVG: 3214800 -33.1511 -40.0583 32.6605 -40.0582 21.7152 27.4093 32.6605 27.4094 -15.637 GPRESSAVG: 3214800 -34.1023 -40.1758 32.1892 -39.7041 22.5891 28.4379 32.7753 26.7175 -15.9774 TIMING: 3214800 CPU: 9316.8, 0.00289355/step Wall: 9316.8, 0.00289355/step, 1.43488 hours remaining, 210.078125 MB of memory in use. ENERGY: 3214800 749.8290 2127.3051 1952.8459 96.1103 -206465.8493 17691.5786 0.0000 0.0000 34380.7964 -149467.3840 300.2560 -183848.1804 -149373.8296 298.7589 -81.0611 -44.6947 554379.0994 -9.0243 -9.1635 PRESSURE: 3215000 189.917 -14.3613 285.494 -14.3622 -132.963 17.7985 285.493 17.7992 -28.1268 GPRESSURE: 3215000 222.495 16.2376 265.552 17.9943 -79.9959 -10.1483 202.336 45.2759 -16.2565 PRESSAVG: 3215000 -11.3489 9.77938 40.8302 9.77939 61.0009 -4.46515 40.8302 -4.46499 -31.0797 GPRESSAVG: 3215000 -11.0225 6.34058 40.2726 12.2351 61.5157 -2.73397 40.9085 -5.37874 -31.6382 TIMING: 3215000 CPU: 9317.38, 0.00289493/step Wall: 9317.38, 0.00289493/step, 1.4354 hours remaining, 210.078125 MB of memory in use. ENERGY: 3215000 723.0104 2056.0310 1924.1951 117.3076 -206308.2841 17747.9289 0.0000 0.0000 34234.3775 -149505.4335 298.9773 -183739.8111 -149417.0059 298.2784 9.6091 42.0808 554953.3976 6.1908 6.2850 PRESSURE: 3215200 183.424 -33.852 37.347 -33.851 -5.65516 -67.7916 37.3469 -67.7931 249.727 GPRESSURE: 3215200 192.261 -35.6278 -49.1323 -59.8283 89.9454 -58.3107 61.4216 -101.28 252.409 PRESSAVG: 3215200 68.5342 -23.3632 8.47668 -23.3633 9.30827 -24.7729 8.47663 -24.773 -77.961 GPRESSAVG: 3215200 69.0255 -23.3097 7.50439 -25.7802 9.60211 -29.8067 6.84436 -23.1984 -77.8828 TIMING: 3215200 CPU: 9317.95, 0.00289214/step Wall: 9317.95, 0.00289214/step, 1.43386 hours remaining, 210.144531 MB of memory in use. ENERGY: 3215200 776.2925 2093.8476 1948.8614 109.9334 -206477.7702 17920.4949 0.0000 0.0000 34187.9858 -149440.3547 298.5722 -183628.3404 -149343.6164 298.7508 142.4986 178.2053 555182.6086 -0.0395 0.2483 PRESSURE: 3215400 -192.895 178.355 -36.3495 178.356 136.918 68.9308 -36.3502 68.9292 -294.721 GPRESSURE: 3215400 -187.071 203.889 -54.515 143.87 165.121 57.6246 -94.1418 136.003 -233.04 PRESSAVG: 3215400 9.66433 78.0731 59.3255 78.0731 -46.0504 -21.7744 59.3255 -21.7743 36.5132 GPRESSAVG: 3215400 10.0885 80.4473 60.1245 78.6932 -46.1398 -19.069 59.6215 -20.9452 36.7729 TIMING: 3215400 CPU: 9318.53, 0.00288666/step Wall: 9318.53, 0.00288666/step, 1.43098 hours remaining, 210.144531 MB of memory in use. ENERGY: 3215400 710.3991 2108.5628 1933.0747 124.8831 -206067.5625 17530.1308 0.0000 0.0000 34297.2629 -149363.2491 299.5265 -183660.5120 -149272.4913 299.1825 -116.8993 -84.9968 556568.1445 0.0424 0.2405 PRESSURE: 3215600 13.6559 -24.1694 33.6942 -24.1696 63.5896 101.078 33.695 101.076 -144.431 GPRESSURE: 3215600 95.2349 -109.181 -43.4721 -30.2972 81.6368 70.9862 140.633 111.034 -161.501 PRESSAVG: 3215600 14.9958 37.5985 5.66321 37.5984 13.5925 20.5168 5.66307 20.5168 -51.3757 GPRESSAVG: 3215600 14.5262 38.0175 6.2704 37.1074 13.0825 21.3488 7.59762 19.2149 -51.0716 TIMING: 3215600 CPU: 9319.11, 0.00287182/step Wall: 9319.11, 0.00287182/step, 1.42347 hours remaining, 210.144531 MB of memory in use. ENERGY: 3215600 711.8529 2081.3103 1963.0780 106.1811 -206199.0627 17768.4474 0.0000 0.0000 34212.1422 -149356.0507 298.7831 -183568.1929 -149259.7064 299.1296 -22.3951 5.1235 555844.7677 -7.5958 -7.8209 PRESSURE: 3215800 352.472 24.7825 18.2988 24.7825 32.8437 19.9928 18.2985 19.9927 -249.336 GPRESSURE: 3215800 365.191 30.8616 -34.1318 22.6491 36.4206 -14.3006 94.8695 -0.174118 -181.944 PRESSAVG: 3215800 79.4409 26.4186 55.6749 26.4185 -2.62421 13.3089 55.6751 13.309 -53.8626 GPRESSAVG: 3215800 79.9152 27.1284 55.6958 25.192 -2.3642 11.3299 54.2448 15.2788 -54.4693 TIMING: 3215800 CPU: 9319.68, 0.0028805/step Wall: 9319.68, 0.0028805/step, 1.42761 hours remaining, 210.144531 MB of memory in use. ENERGY: 3215800 723.1416 2089.2580 1941.0973 104.7108 -206264.2861 17738.9542 0.0000 0.0000 34171.6728 -149495.4515 298.4297 -183667.1243 -149398.0568 299.0732 45.3267 73.2227 555800.3156 7.6514 7.6939 PRESSURE: 3216000 155.774 -31.1761 13.1529 -31.1762 -37.6624 64.1853 13.152 64.1845 -46.6872 GPRESSURE: 3216000 182.644 13.2911 4.56819 -8.28303 -7.58691 5.29993 85.3763 77.7752 5.35378 PRESSAVG: 3216000 38.6245 48.2145 -22.16 48.2144 2.94789 -18.7981 -22.16 -18.7981 -29.179 GPRESSAVG: 3216000 39.1122 46.9745 -22.7052 49.2885 1.49738 -18.9801 -21.6733 -18.4708 -28.4677 TIMING: 3216000 CPU: 9320.26, 0.002907/step Wall: 9320.26, 0.002907/step, 1.44058 hours remaining, 210.144531 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: 3216000 696.8455 2051.6983 1929.3718 117.1865 -206284.2069 17717.8306 0.0000 0.0000 34158.0488 -149613.2255 298.3107 -183771.2743 -149518.8221 298.5145 23.8081 60.1369 557282.0476 4.1311 4.0473 PRESSURE: 3216200 213.32 1.74295 -85.7449 1.74236 -48.947 -191.887 -85.7454 -191.887 69.4421 GPRESSURE: 3216200 229.22 1.66732 -10.5524 -3.32228 3.15845 -150.243 -123.494 -189.67 105.851 PRESSAVG: 3216200 21.5798 -17.106 -30.514 -17.106 -68.9028 30.9552 -30.5141 30.9552 0.234535 GPRESSAVG: 3216200 20.901 -15.0466 -31.0865 -16.8016 -68.2125 31.6385 -31.659 28.6127 -0.0931818 TIMING: 3216200 CPU: 9320.84, 0.00289742/step Wall: 9320.84, 0.00289742/step, 1.43567 hours remaining, 210.144531 MB of memory in use. ENERGY: 3216200 729.8018 2104.8437 1953.7521 110.6810 -206720.9206 18049.1513 0.0000 0.0000 34322.1169 -149450.5738 299.7436 -183772.6907 -149357.3129 298.1159 77.9383 112.7429 558145.6115 -15.6961 -15.8016 LDB: ============= START OF LOAD BALANCING ============== 9324.23 LDB: ============== END OF LOAD BALANCING =============== 9324.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9324.23 LDB: ============= START OF LOAD BALANCING ============== 9324.52 LDB: Largest compute 4800 load 0.022255 is 18.9% of average load 0.117973 LDB: Average compute 0.001727 is 1.5% of average load 0.117973 LDB: TIME 9324.52 LOAD: AVG 0.117973 MAX 0.178577 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.109 MB LDB: TIME 9324.52 LOAD: AVG 0.117973 MAX 0.178577 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.18 MB LDB: TIME 9324.52 LOAD: AVG 0.117973 MAX 0.178577 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9324.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9324.53 PRESSURE: 3216400 -279.518 63.4991 -109.349 63.4982 -150.152 177.15 -109.349 177.151 -386.08 GPRESSURE: 3216400 -239.528 68.0209 -65.8329 74.814 -121.697 225.664 -156.876 106.811 -364.998 PRESSAVG: 3216400 56.3345 29.2547 -29.941 29.2546 -14.0399 4.7118 -29.941 4.71173 -50.4878 GPRESSAVG: 3216400 54.5416 27.4463 -29.4994 30.8398 -12.395 4.20734 -28.8205 6.13934 -51.3575 TIMING: 3216400 CPU: 9321.44, 0.00295987/step Wall: 9321.44, 0.00295987/step, 1.46645 hours remaining, 212.121094 MB of memory in use. ENERGY: 3216400 750.4122 2025.6119 1939.1741 114.5631 -206028.3928 17553.0492 0.0000 0.0000 34316.1191 -149329.4632 299.6912 -183645.5824 -149228.9930 298.7651 -271.9169 -242.0742 559608.2244 -2.7311 -3.0703 PRESSURE: 3216600 -97.9197 -104.112 -51.9999 -104.113 81.2929 -149.378 -51.9994 -149.38 -161.424 GPRESSURE: 3216600 -71.8039 -169.962 -32.4999 -38.7742 111.568 -61.0856 -120.217 -209.346 -123.799 PRESSAVG: 3216600 66.4898 -35.5729 -20.7143 -35.5729 -56.7017 -5.25932 -20.7142 -5.25936 -57.7292 GPRESSAVG: 3216600 67.3522 -35.671 -21.1971 -37.0927 -57.4299 -3.88647 -20.4154 -4.44063 -57.7726 TIMING: 3216600 CPU: 9322.02, 0.00291285/step Wall: 9322.02, 0.00291285/step, 1.44299 hours remaining, 212.324219 MB of memory in use. ENERGY: 3216600 709.6958 2069.8800 1957.2806 107.2438 -205955.0928 17600.5756 0.0000 0.0000 34087.4684 -149422.9485 297.6943 -183510.4169 -149332.3651 298.4538 -59.3503 -28.0116 558613.8747 -15.9804 -15.9501 PRESSURE: 3216800 2.41705 8.37317 -59.6825 8.37281 6.76874 57.6291 -59.6824 57.629 122.238 GPRESSURE: 3216800 93.281 15.9806 34.4691 82.4813 49.449 19.2208 -100.338 52.3731 77.8875 PRESSAVG: 3216800 69.2665 -4.36276 1.00259 -4.36289 34.8689 2.09595 1.00256 2.09587 -86.133 GPRESSAVG: 3216800 69.7411 -3.77979 2.04725 -4.36668 34.7858 1.86271 0.253701 0.4913 -85.356 TIMING: 3216800 CPU: 9322.6, 0.00291094/step Wall: 9322.6, 0.00291094/step, 1.44189 hours remaining, 212.324219 MB of memory in use. ENERGY: 3216800 734.9122 2082.9049 1935.5820 120.2348 -206110.2761 17641.3924 0.0000 0.0000 34368.3108 -149226.9389 300.1470 -183595.2497 -149132.4800 298.6173 43.8081 73.5392 557848.5712 6.0008 6.3903 PRESSURE: 3217000 9.0804 -30.8178 -123.601 -30.8182 -88.7281 194.886 -123.6 194.886 -45.7543 GPRESSURE: 3217000 71.2329 -27.1731 -166.053 45.326 -56.3461 162.838 -168.694 275.438 -56.2181 PRESSAVG: 3217000 -1.97791 -5.81623 25.572 -5.81617 39.0315 48.4139 25.572 48.414 -16.0353 GPRESSAVG: 3217000 -1.18948 -7.09035 25.8054 -5.04151 38.6496 48.405 24.7629 49.7127 -16.3884 TIMING: 3217000 CPU: 9323.18, 0.00291806/step Wall: 9323.18, 0.00291806/step, 1.44525 hours remaining, 212.324219 MB of memory in use. ENERGY: 3217000 749.8678 2147.7780 1959.1647 112.1050 -206210.1510 17789.0683 0.0000 0.0000 34134.9301 -149317.2371 298.1088 -183452.1671 -149220.7747 299.0612 -41.8007 -13.7771 558088.1149 7.0061 7.0239 PRESSURE: 3217200 38.376 -49.2501 88.9113 -49.2508 -163.681 6.33861 88.9113 6.33845 188.9 GPRESSURE: 3217200 19.9902 -35.0373 97.3844 -91.9279 -130.226 -87.0103 0.278617 17.49 274.392 PRESSAVG: 3217200 -10.5775 -27.6875 -9.19654 -27.6874 -30.9904 19.8295 -9.19654 19.8293 -5.40575 GPRESSAVG: 3217200 -11.2897 -26.0328 -8.12923 -27.1057 -30.6847 20.7587 -9.69174 18.0638 -4.62733 TIMING: 3217200 CPU: 9323.77, 0.00292124/step Wall: 9323.77, 0.00292124/step, 1.44666 hours remaining, 212.394531 MB of memory in use. ENERGY: 3217200 751.8533 2032.8242 1934.6057 108.7092 -206575.8231 17989.6489 0.0000 0.0000 34455.7053 -149302.4765 300.9102 -183758.1819 -149207.0535 298.7818 21.1983 54.7188 557848.2786 -15.6579 -15.5339 PRESSURE: 3217400 63.0078 9.34848 -39.6746 9.34807 -143.614 -5.38176 -39.6739 -5.38121 335.115 GPRESSURE: 3217400 111.098 20.3492 -40.3528 -1.6185 -78.0209 62.6218 -35.6322 0.465984 311.913 PRESSAVG: 3217400 60.2475 -21.9367 18.5844 -21.9367 -2.66925 -10.878 18.5844 -10.878 -35.8133 GPRESSAVG: 3217400 60.4846 -22.8619 17.2557 -23.618 -2.43953 -11.4614 19.2278 -9.67327 -36.6255 TIMING: 3217400 CPU: 9324.35, 0.00292155/step Wall: 9324.35, 0.00292155/step, 1.44665 hours remaining, 212.394531 MB of memory in use. ENERGY: 3217400 738.1714 2060.2290 1957.8359 101.9395 -206247.7637 17922.4153 0.0000 0.0000 34055.1378 -149412.0350 297.4120 -183467.1727 -149313.5259 298.7342 84.8365 114.9967 558794.6829 7.2550 7.1398 PRESSURE: 3217600 187.269 69.8945 91.9615 69.8938 96.5464 47.8849 91.9624 47.885 -103.455 GPRESSURE: 3217600 220.083 155.355 99.7523 52.268 151.098 112.313 49.5359 84.6493 -84.3496 PRESSAVG: 3217600 49.3299 49.4322 53.1353 49.4323 -46.7542 39.5722 53.1353 39.5721 38.4022 GPRESSAVG: 3217600 48.2831 49.6865 51.7035 51.9489 -47.3875 37.4183 53.3394 39.5528 40.1398 TIMING: 3217600 CPU: 9324.94, 0.00292116/step Wall: 9324.94, 0.00292116/step, 1.4463 hours remaining, 212.394531 MB of memory in use. ENERGY: 3217600 724.1554 2093.8810 1951.8213 127.5791 -206475.1713 17953.0289 0.0000 0.0000 34317.5537 -149307.1520 299.7037 -183624.7058 -149207.9340 298.9611 60.1203 95.6104 558175.3023 13.6593 13.6784 PRESSURE: 3217800 -194.949 71.4434 -36.4031 71.4438 11.7665 72.0421 -36.4025 72.0425 78.0728 GPRESSURE: 3217800 -97.2767 95.44 27.5191 -21.6713 53.0096 124.132 -98.0694 79.6605 33.6001 PRESSAVG: 3217800 -13.6493 17.1211 15.8444 17.121 -62.5869 49.7999 15.8444 49.8 44.6768 GPRESSAVG: 3217800 -12.9545 16.4666 17.5344 14.5126 -62.0921 52.9485 16.7149 49.4118 43.3907 TIMING: 3217800 CPU: 9325.51, 0.00289041/step Wall: 9325.51, 0.00289041/step, 1.43091 hours remaining, 212.394531 MB of memory in use. ENERGY: 3217800 746.4198 2065.8122 1954.5568 118.4563 -206210.8416 17981.4556 0.0000 0.0000 34096.5387 -149247.6022 297.7736 -183344.1409 -149152.9161 299.0891 -35.0366 -3.5557 559271.8992 -10.5198 -10.5520 PRESSURE: 3218000 132.438 14.7273 -182.624 14.7272 -309.541 -13.5165 -182.625 -13.5167 -225.381 GPRESSURE: 3218000 110.381 -36.6528 -172.583 160.85 -229.993 -28.9847 -83.716 -31.4029 -173.296 PRESSAVG: 3218000 70.3221 57.8387 4.9643 57.8388 -47.5383 53.9341 4.96427 53.934 -20.3535 GPRESSAVG: 3218000 69.3074 59.0153 4.38801 58.6175 -46.7668 51.4024 3.79248 53.7325 -19.9059 TIMING: 3218000 CPU: 9326.09, 0.00288416/step Wall: 9326.09, 0.00288416/step, 1.42766 hours remaining, 212.394531 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: 3218000 740.3791 2121.5806 1943.6347 114.6589 -205946.9476 17501.7374 0.0000 0.0000 34156.5110 -149368.4459 298.2973 -183524.9569 -149270.2044 298.7186 -134.1614 -97.6363 559034.9595 0.8101 0.8782 PRESSURE: 3218200 -79.1452 -302.01 -75.1156 -302.009 -154.567 24.1503 -75.1164 24.1517 37.158 GPRESSURE: 3218200 -31.6714 -242.921 -105.865 -288.51 -115.957 10.0446 -74.3543 -16.1026 46.7154 PRESSAVG: 3218200 82.2075 -16.6077 -15.7285 -16.6075 -18.9836 56.586 -15.7285 56.586 -65.2681 GPRESSAVG: 3218200 83.1549 -17.5711 -16.0826 -17.3934 -19.5789 56.003 -17.2513 57.0552 -65.3225 TIMING: 3218200 CPU: 9326.67, 0.0029048/step Wall: 9326.67, 0.0029048/step, 1.43771 hours remaining, 212.394531 MB of memory in use. ENERGY: 3218200 739.8806 2081.0074 1983.2933 114.1891 -205753.0779 17703.6383 0.0000 0.0000 33925.9113 -149205.1579 296.2834 -183131.0692 -149115.1729 298.9936 -65.5181 -33.6377 559407.1515 -0.6814 -0.5822 PRESSURE: 3218400 87.2875 66.037 -118.63 66.0378 -54.4106 -31.1397 -118.63 -31.1401 68.0408 GPRESSURE: 3218400 100.85 99.5929 -120.962 131.205 11.1126 -27.947 -124.919 -24.7319 84.3385 PRESSAVG: 3218400 -0.0422471 10.9765 -10.9184 10.9765 33.7073 35.1473 -10.9185 35.1472 -4.05788 GPRESSAVG: 3218400 -0.225235 8.96433 -12.1031 13.8479 33.485 37.763 -8.94158 34.6088 -3.87509 TIMING: 3218400 CPU: 9327.25, 0.00287235/step Wall: 9327.25, 0.00287235/step, 1.4215 hours remaining, 212.394531 MB of memory in use. ENERGY: 3218400 787.0791 2132.3412 1956.1737 119.9534 -206597.8910 18124.0115 0.0000 0.0000 34207.2094 -149271.1229 298.7401 -183478.3322 -149183.9687 299.1813 33.6392 65.4336 557183.0466 9.8691 9.7949 PRESSURE: 3218600 -82.9519 -22.4885 -91.9539 -22.4891 -36.0895 -17.3653 -91.9531 -17.3665 144.025 GPRESSURE: 3218600 -46.2736 -29.3984 -34.6949 -66.0653 23.2772 4.58825 -113.502 -75.0817 157.751 PRESSAVG: 3218600 -1.10653 0.56082 -7.63314 0.560837 -33.6507 69.5765 -7.63311 69.5763 31.3926 GPRESSAVG: 3218600 -2.15096 3.60762 -6.66228 -3.4817 -32.7458 67.5541 -8.10346 71.7337 31.5986 TIMING: 3218600 CPU: 9327.82, 0.00287902/step Wall: 9327.82, 0.00287902/step, 1.42463 hours remaining, 212.394531 MB of memory in use. ENERGY: 3218600 769.3378 2082.8703 1981.7581 113.9659 -206748.6091 18005.2811 0.0000 0.0000 34258.2836 -149537.1124 299.1861 -183795.3960 -149437.2480 299.2878 8.3280 44.9182 556597.5594 -1.1215 -1.0994 PRESSURE: 3218800 -13.3549 -89.1891 -65.6456 -89.1897 -49.6907 -102.073 -65.6455 -102.069 -130.814 GPRESSURE: 3218800 23.7995 -129.513 -15.1536 -73.3107 -21.0238 -162.883 -82.0735 -53.2636 -89.7323 PRESSAVG: 3218800 -57.8933 28.9542 -1.89931 28.9542 48.8584 34.4644 -1.89925 34.4645 -31.7948 GPRESSAVG: 3218800 -57.56 28.5024 -0.780957 31.0573 48.4119 34.3876 -1.18036 33.1282 -31.3416 TIMING: 3218800 CPU: 9328.4, 0.00289474/step Wall: 9328.4, 0.00289474/step, 1.43225 hours remaining, 212.394531 MB of memory in use. ENERGY: 3218800 766.2012 2085.3170 1972.5085 121.5678 -206556.5985 17974.8239 0.0000 0.0000 34194.3819 -149441.7982 298.6280 -183636.1801 -149344.5163 298.7968 -64.6197 -28.9855 558830.1289 -13.6099 -13.4966 PRESSURE: 3219000 -77.0438 -49.6531 26.0738 -49.6531 98.6574 111.62 26.0745 111.621 96.4276 GPRESSURE: 3219000 -33.1096 -28.5791 66.0794 -56.392 109.505 125.819 33.2486 77.0483 149.203 PRESSAVG: 3219000 28.5124 37.9373 -32.1659 37.9373 6.42387 20.6841 -32.166 20.6842 16.5807 GPRESSAVG: 3219000 29.4218 37.4396 -32.2709 37.8236 6.04135 19.192 -31.2966 19.761 15.3873 TIMING: 3219000 CPU: 9328.98, 0.00289876/step Wall: 9328.98, 0.00289876/step, 1.43408 hours remaining, 212.394531 MB of memory in use. ENERGY: 3219000 750.7961 2078.0527 1971.9567 103.9598 -206369.0210 17832.0796 0.0000 0.0000 34074.6688 -149557.5075 297.5826 -183632.1762 -149461.7573 298.4022 39.3471 75.1994 556642.3904 17.1723 16.9502 PRESSURE: 3219200 -210.183 89.0986 75.2296 89.0982 -103.355 -76.4487 75.2305 -76.4492 -380.508 GPRESSURE: 3219200 -139.509 112.09 46.0707 102.012 -68.9802 -97.8905 100.091 -78.9929 -383.289 PRESSAVG: 3219200 5.16778 30.1965 -0.426701 30.1965 15.8657 12.5925 -0.426741 12.5926 44.0565 GPRESSAVG: 3219200 6.3084 28.1242 -0.941442 30.6667 15.4469 17.0062 -0.516592 11.5787 43.5372 TIMING: 3219200 CPU: 9329.56, 0.00288605/step Wall: 9329.56, 0.00288605/step, 1.42763 hours remaining, 212.394531 MB of memory in use. ENERGY: 3219200 777.7878 2066.1857 1942.5267 105.1447 -206403.7475 17692.6233 0.0000 0.0000 34365.2668 -149454.2126 300.1204 -183819.4793 -149351.8633 299.1366 -231.3486 -197.2595 558790.8084 21.6967 21.7642 PRESSURE: 3219400 -92.749 -74.7591 58.6302 -74.7591 -40.3289 141.754 58.6303 141.755 -53.5788 GPRESSURE: 3219400 -77.7547 -111.384 21.6903 -3.80083 53.8318 101.987 -16.5051 109.033 -64.2778 PRESSAVG: 3219400 9.94969 -55.1081 22.215 -55.1081 38.7273 -20.4327 22.215 -20.4327 -52.6072 GPRESSAVG: 3219400 10.0985 -52.9515 21.3891 -55.1273 38.8764 -23.5411 23.3872 -19.4527 -52.902 TIMING: 3219400 CPU: 9330.14, 0.00289415/step Wall: 9330.14, 0.00289415/step, 1.43148 hours remaining, 212.394531 MB of memory in use. ENERGY: 3219400 768.0663 2068.5630 1955.9788 117.5509 -206359.4615 17769.4914 0.0000 0.0000 34158.2596 -149521.5515 298.3126 -183679.8112 -149433.7134 298.6759 -62.2189 -29.4002 558500.9344 -1.3101 -1.3090 PRESSURE: 3219600 -312.168 8.34346 56.654 8.34268 54.2848 89.9908 56.6543 89.9919 109.975 GPRESSURE: 3219600 -234.552 48.0498 -85.3089 -49.2011 121.7 133.951 172.537 56.0827 74.9054 PRESSAVG: 3219600 19.9963 10.4958 65.4301 10.4959 -71.4903 -29.8452 65.43 -29.8452 43.3846 GPRESSAVG: 3219600 18.5115 11.2579 66.9476 10.7661 -70.2316 -27.5916 65.0172 -29.3516 43.795 TIMING: 3219600 CPU: 9330.71, 0.00288039/step Wall: 9330.71, 0.00288039/step, 1.42451 hours remaining, 212.394531 MB of memory in use. ENERGY: 3219600 777.9518 2093.5906 1944.4832 104.3094 -206350.9275 17869.8413 0.0000 0.0000 34165.9193 -149394.8319 298.3795 -183560.7511 -149296.7719 298.3417 -49.3028 -12.6486 557572.2680 -2.7032 -2.6417 PRESSURE: 3219800 133.46 -85.2224 131.427 -85.222 62.1766 35.1404 131.427 35.14 196.504 GPRESSURE: 3219800 133.561 26.0419 18.3018 -77.7658 104.126 52.4291 197.065 16.6651 244.813 PRESSAVG: 3219800 26.3704 -18.1091 56.8129 -18.109 -37.8625 -17.5154 56.813 -17.5153 -41.1367 GPRESSAVG: 3219800 26.8644 -18.035 58.5955 -19.2509 -39.7845 -17.8566 56.3662 -18.1586 -39.7749 TIMING: 3219800 CPU: 9331.29, 0.00288478/step Wall: 9331.29, 0.00288478/step, 1.42652 hours remaining, 212.394531 MB of memory in use. ENERGY: 3219800 730.2246 2123.5858 1943.4301 111.1357 -206680.2372 18100.9124 0.0000 0.0000 34328.3728 -149342.5756 299.7982 -183670.9485 -149241.5864 299.0220 130.7138 160.8333 556909.1695 -17.5429 -17.5650 PRESSURE: 3220000 221.705 3.67779 146.405 3.67784 179.245 -57.403 146.404 -57.4012 133.72 GPRESSURE: 3220000 243.96 3.69861 124.503 -1.39841 175.431 9.54829 158.959 -87.5935 207.052 PRESSAVG: 3220000 26.9627 -2.07657 52.6407 -2.07656 14.314 43.0019 52.6406 43.0019 -27.5599 GPRESSAVG: 3220000 26.0591 -3.44017 50.4675 -2.9379 14.9417 43.694 51.9914 42.679 -28.0784 TIMING: 3220000 CPU: 9331.87, 0.00288536/step Wall: 9331.87, 0.00288536/step, 1.42665 hours remaining, 212.394531 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: 3220000 720.7248 2096.6824 1971.8709 107.8792 -206456.6119 17947.4088 0.0000 0.0000 34123.8929 -149488.1529 298.0124 -183612.0459 -149390.8063 298.8161 178.2233 208.8145 556343.4652 4.5723 4.3075 PRESSURE: 3220200 192.546 78.9895 -79.9192 78.9894 31.5257 -10.0499 -79.9176 -10.0498 296.919 GPRESSURE: 3220200 237.86 55.2959 -68.2408 92.0222 101.467 -89.0123 -92.3838 71.6996 275.38 PRESSAVG: 3220200 76.5163 -3.70418 13.4423 -3.70424 -69.1979 30.7603 13.4423 30.7602 4.14658 GPRESSAVG: 3220200 76.7872 -1.98829 15.7248 -4.53386 -69.3721 30.5593 11.1053 30.242 3.94856 TIMING: 3220200 CPU: 9332.45, 0.00289363/step Wall: 9332.45, 0.00289363/step, 1.43058 hours remaining, 212.394531 MB of memory in use. ENERGY: 3220200 722.6942 2086.3602 1956.3368 111.3611 -206602.3677 17998.7164 0.0000 0.0000 34277.2105 -149449.6885 299.3514 -183726.8989 -149360.9116 298.8308 173.6639 204.9022 556464.5832 3.8217 3.7879 LDB: ============= START OF LOAD BALANCING ============== 9335.83 LDB: ============== END OF LOAD BALANCING =============== 9335.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9335.83 LDB: ============= START OF LOAD BALANCING ============== 9336.12 LDB: Largest compute 4772 load 0.021794 is 18.5% of average load 0.118025 LDB: Average compute 0.001728 is 1.5% of average load 0.118025 LDB: TIME 9336.12 LOAD: AVG 0.118025 MAX 0.178334 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.637 MB LDB: TIME 9336.12 LOAD: AVG 0.118025 MAX 0.178334 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.707 MB LDB: TIME 9336.12 LOAD: AVG 0.118025 MAX 0.178334 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9336.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9336.13 PRESSURE: 3220400 -110.318 68.0325 -8.29679 68.0322 -245.13 -24.0756 -8.29553 -24.0761 -342.929 GPRESSURE: 3220400 -122.968 71.1686 -43.3659 59.6822 -170.587 -93.0522 2.87266 -32.8594 -299.305 PRESSAVG: 3220400 70.299 42.7321 4.31194 42.7321 -9.30118 -11.2234 4.31197 -11.2234 -22.546 GPRESSAVG: 3220400 70.0618 41.2617 2.97706 42.8839 -8.57628 -12.9244 6.2491 -10.0752 -22.7585 TIMING: 3220400 CPU: 9333.03, 0.00293949/step Wall: 9333.03, 0.00293949/step, 1.45309 hours remaining, 209.929688 MB of memory in use. ENERGY: 3220400 740.5827 2104.9255 1955.6484 114.6852 -206413.3896 17587.5699 0.0000 0.0000 34322.0813 -149587.8967 299.7433 -183909.9780 -149493.1849 298.5080 -232.7923 -197.6201 557034.4625 12.8173 12.9090 PRESSURE: 3220600 -112.137 -37.4103 74.5716 -37.4109 28.8341 110.655 74.5713 110.655 99.8591 GPRESSURE: 3220600 -76.0341 -34.0459 4.98608 -47.1753 79.1476 125.012 147.565 111.481 120.29 PRESSAVG: 3220600 43.5368 75.233 17.3816 75.2331 13.0666 1.1739 17.3816 1.17386 -36.9883 GPRESSAVG: 3220600 43.5604 72.7815 16.1471 77.0044 12.7721 1.71472 18.5557 2.265 -36.3913 TIMING: 3220600 CPU: 9333.61, 0.00287588/step Wall: 9333.61, 0.00287588/step, 1.42149 hours remaining, 209.929688 MB of memory in use. ENERGY: 3220600 736.6303 2107.1999 1954.0297 116.7909 -206433.4382 17969.6295 0.0000 0.0000 34116.7913 -149432.3666 297.9504 -183549.1579 -149341.8650 298.2153 5.5189 41.1346 557865.3138 6.5384 6.6471 PRESSURE: 3220800 -56.9614 -242.014 79.9526 -242.014 -182.021 51.7564 79.9516 51.7587 -43.583 GPRESSURE: 3220800 -31.4867 -270.741 61.6462 -161.066 -168.61 22.2373 81.0522 121.081 19.6105 PRESSAVG: 3220800 -20.654 13.3677 -27.2125 13.3677 -79.305 -17.7881 -27.2127 -17.7881 85.7535 GPRESSAVG: 3220800 -21.8274 16.0876 -27.0014 12.2182 -79.0611 -18.4627 -27.4831 -20.602 86.7699 TIMING: 3220800 CPU: 9334.19, 0.00288962/step Wall: 9334.19, 0.00288962/step, 1.42811 hours remaining, 209.929688 MB of memory in use. ENERGY: 3220800 743.8290 2083.0334 1965.9555 127.8406 -206441.0453 17911.2561 0.0000 0.0000 34271.0297 -149338.1010 299.2974 -183609.1308 -149240.0934 298.3122 -94.1886 -60.1622 557167.4252 -4.7352 -4.7062 PRESSURE: 3221000 -132.192 30.275 -14.26 30.2753 56.8254 105.164 -14.2599 105.163 209.673 GPRESSURE: 3221000 -103.666 50.5673 11.5454 -63.6668 79.6285 159.587 95.5277 111.441 254.088 PRESSAVG: 3221000 -3.42239 22.0029 87.3919 22.0027 10.3657 36.1408 87.3918 36.1407 -3.20032 GPRESSAVG: 3221000 -3.20637 21.3693 87.0995 22.4369 10.8046 36.8937 86.9103 37.5215 -3.70022 TIMING: 3221000 CPU: 9334.77, 0.00290859/step Wall: 9334.77, 0.00290859/step, 1.43733 hours remaining, 209.929688 MB of memory in use. ENERGY: 3221000 696.6628 2094.3386 1945.4559 112.8455 -206195.3042 17778.3760 0.0000 0.0000 34280.2923 -149287.3332 299.3783 -183567.6255 -149196.3952 298.7538 44.7687 76.6835 556013.9740 1.2477 1.2993 PRESSURE: 3221200 -33.6762 19.2057 -23.3753 19.2051 -68.5272 -195.402 -23.3754 -195.404 157.133 GPRESSURE: 3221200 62.6307 -24.7714 -103.054 13.398 -68.9618 -171.204 -30.7777 -133.9 150.451 PRESSAVG: 3221200 -39.3785 -6.83107 -12.2078 -6.831 35.4669 17.3782 -12.2078 17.3782 8.85452 GPRESSAVG: 3221200 -37.6582 -7.30968 -9.05874 -8.04489 33.9487 19.0602 -13.5702 17.1557 8.4972 TIMING: 3221200 CPU: 9335.35, 0.00290865/step Wall: 9335.35, 0.00290865/step, 1.4372 hours remaining, 209.929688 MB of memory in use. ENERGY: 3221200 712.9829 2046.9109 1977.6571 114.3268 -206021.4351 17716.7844 0.0000 0.0000 34195.8303 -149256.9428 298.6407 -183452.7730 -149164.0404 298.9978 18.3098 48.0401 557152.5871 1.6477 1.5959 PRESSURE: 3221400 -172.276 -55.6717 -37.5718 -55.6707 -63.9652 -38.8506 -37.5728 -38.8508 -0.147137 GPRESSURE: 3221400 -142.589 36.1979 -26.3306 -53.0078 22.1736 -55.4697 -88.8355 -88.1761 -14.4832 PRESSAVG: 3221400 -37.9353 -18.1852 -4.5027 -18.1852 28.6384 -14.8428 -4.50265 -14.8428 14.5969 GPRESSAVG: 3221400 -39.3301 -19.0701 -6.44318 -16.2144 30.1216 -16.8831 -4.3856 -14.7378 14.1632 TIMING: 3221400 CPU: 9335.93, 0.00291272/step Wall: 9335.93, 0.00291272/step, 1.43904 hours remaining, 209.929688 MB of memory in use. ENERGY: 3221400 745.8346 2111.9837 1973.7034 115.2218 -206021.6324 17602.3404 0.0000 0.0000 34161.6347 -149310.9138 298.3421 -183472.5485 -149215.4670 299.3663 -78.7962 -44.9663 557137.9680 1.7667 1.6516 PRESSURE: 3221600 -124.519 -77.5321 -67.0606 -77.5321 -165.042 169.365 -67.061 169.365 24.8617 GPRESSURE: 3221600 -152.467 -164.697 -61.244 -25.3168 -91.281 203.831 -59.5474 177.514 82.8797 PRESSAVG: 3221600 60.1261 13.7077 33.1521 13.7077 -22.7363 -1.44012 33.1521 -1.44022 -38.4921 GPRESSAVG: 3221600 60.559 13.9274 31.8221 12.4394 -23.7603 -1.14293 34.097 -1.35463 -37.7478 TIMING: 3221600 CPU: 9336.52, 0.00292054/step Wall: 9336.52, 0.00292054/step, 1.44274 hours remaining, 209.929688 MB of memory in use. ENERGY: 3221600 739.7223 2091.1251 1974.1461 117.4367 -206235.3347 17681.7070 0.0000 0.0000 34359.7640 -149271.4336 300.0724 -183631.1976 -149174.8719 299.3477 -88.2329 -53.6228 556616.5870 -0.3675 -0.3164 PRESSURE: 3221800 -46.4706 95.8354 -63.0565 95.8356 43.3909 101.856 -63.0553 101.856 -217.164 GPRESSURE: 3221800 -47.2913 65.3327 38.6033 113.154 91.5225 18.5086 -73.487 142.719 -174.656 PRESSAVG: 3221800 -12.9299 1.40328 17.7313 1.40311 -5.26564 32.7462 17.7312 32.7462 23.7809 GPRESSAVG: 3221800 -13.3484 3.14448 20.4742 -0.138407 -4.45959 31.6482 15.9857 36.2049 23.0901 TIMING: 3221800 CPU: 9337.1, 0.00290954/step Wall: 9337.1, 0.00290954/step, 1.43715 hours remaining, 209.929688 MB of memory in use. ENERGY: 3221800 729.0981 2127.1332 1973.6108 117.5128 -206106.1396 17506.4400 0.0000 0.0000 34454.5229 -149197.8217 300.8999 -183652.3446 -149097.2217 299.3393 -73.4145 -43.4751 556328.6997 1.8618 1.7607 PRESSURE: 3222000 88.2747 20.2948 -52.467 20.2941 489.856 -99.6514 -52.4675 -99.6518 146.509 GPRESSURE: 3222000 124.767 43.7082 -2.93342 -14.8434 495.101 -79.3215 -89.2989 -110.942 201.448 PRESSAVG: 3222000 5.57881 21.6019 6.0775 21.6019 49.0282 20.7239 6.07754 20.7238 -40.0212 GPRESSAVG: 3222000 5.49386 20.8923 5.54127 21.7238 50.0723 22.1332 5.75523 19.5491 -40.7232 TIMING: 3222000 CPU: 9337.68, 0.00288957/step Wall: 9337.68, 0.00288957/step, 1.42713 hours remaining, 209.929688 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 724.8284 2077.5458 1944.1617 115.1122 -206611.2001 18302.2344 0.0000 0.0000 34303.1147 -149144.2030 299.5776 -183447.3177 -149052.3313 299.9399 241.5465 273.7721 555736.4038 4.8619 4.9477 PRESSURE: 3222200 172.413 60.5618 269.009 60.5636 -66.7132 -34.6725 269.01 -34.6719 206.207 GPRESSURE: 3222200 162.756 18.7351 256.689 82.3538 -47.9406 18.7146 120.741 -59.795 297.019 PRESSAVG: 3222200 27.8642 22.1708 74.3877 22.1708 40.8326 24.5225 74.3878 24.5227 -65.3008 GPRESSAVG: 3222200 28.612 22.2513 70.8264 21.6001 39.1391 25.2833 75.7493 22.585 -64.1834 TIMING: 3222200 CPU: 9338.26, 0.00289863/step Wall: 9338.26, 0.00289863/step, 1.43144 hours remaining, 209.929688 MB of memory in use. ENERGY: 3222200 741.9182 1995.0639 1989.5073 112.6513 -206209.9995 17895.5489 0.0000 0.0000 34207.2428 -149268.0670 298.7404 -183475.3098 -149165.2099 299.5594 103.9687 137.2779 557693.3445 1.1320 1.1892 PRESSURE: 3222400 25.2142 143.128 -91.0854 143.128 143.684 -250.559 -91.086 -250.56 90.3336 GPRESSURE: 3222400 60.8336 12.2021 -125.91 267.738 229.884 -255.338 -40.8774 -208.288 73.6135 PRESSAVG: 3222400 -18.3566 70.7219 -7.58019 70.7219 82.866 -3.70854 -7.58015 -3.70846 -91.9482 GPRESSAVG: 3222400 -19.8024 70.7869 -4.88359 73.2489 83.4459 -3.95115 -8.63859 -3.01772 -91.0795 TIMING: 3222400 CPU: 9338.84, 0.00292883/step Wall: 9338.84, 0.00292883/step, 1.44619 hours remaining, 209.929688 MB of memory in use. ENERGY: 3222400 760.2195 2050.6575 1964.7953 119.1959 -206596.1205 18031.7492 0.0000 0.0000 34280.0478 -149389.4554 299.3762 -183669.5031 -149297.9645 298.8459 86.4105 121.4438 555510.7089 -9.1463 -9.1453 PRESSURE: 3222600 -78.032 23.2378 -200.552 23.2366 -98.3353 1.82742 -200.552 1.82684 -173.414 GPRESSURE: 3222600 -49.5811 -24.1214 -131.598 144.991 -35.8286 -32.4393 -225.962 10.2429 -172.134 PRESSAVG: 3222600 51.2044 -5.04743 -45.4985 -5.04744 -11.208 17.5182 -45.4986 17.5181 -17.0851 GPRESSAVG: 3222600 52.1384 -5.97831 -43.8768 -4.25576 -11.0852 15.7666 -44.4773 17.8072 -18.3773 TIMING: 3222600 CPU: 9339.43, 0.00293808/step Wall: 9339.43, 0.00293808/step, 1.4506 hours remaining, 209.929688 MB of memory in use. ENERGY: 3222600 783.4836 2048.0996 1939.8776 114.2076 -206545.6207 17803.9541 0.0000 0.0000 34352.7564 -149503.2418 300.0112 -183855.9983 -149415.0472 298.8559 -116.5939 -85.8480 558326.7255 7.6371 7.5586 PRESSURE: 3222800 253.134 -32.5151 -140.151 -32.5139 78.1646 -131.098 -140.153 -131.097 71.6351 GPRESSURE: 3222800 260.708 -26.7458 -138.176 -87.6084 155.529 -133.634 -162.32 -140.636 76.5544 PRESSAVG: 3222800 7.82525 41.7628 -61.3066 41.7629 60.0751 -27.3646 -61.3066 -27.3646 -44.2113 GPRESSAVG: 3222800 6.98321 44.7219 -62.7995 38.0594 60.1432 -28.3786 -60.5767 -26.7016 -43.4148 TIMING: 3222800 CPU: 9340.02, 0.00293064/step Wall: 9340.02, 0.00293064/step, 1.44676 hours remaining, 209.929688 MB of memory in use. ENERGY: 3222800 763.7418 2092.6815 1968.2104 107.1236 -206398.2466 17755.8714 0.0000 0.0000 34365.1780 -149345.4399 300.1196 -183710.6179 -149250.2975 299.3360 134.3111 164.2637 556082.3042 7.8964 7.9039 PRESSURE: 3223000 -121.268 -29.0436 21.075 -29.0435 81.7681 -112.093 21.0755 -112.095 217.721 GPRESSURE: 3223000 -81.1068 11.4374 -40.5397 -45.0233 44.3329 -63.7205 40.0352 -74.5081 315.013 PRESSAVG: 3223000 -66.7148 -33.5949 7.55194 -33.5949 44.5109 -46.5187 7.55196 -46.5186 42.2423 GPRESSAVG: 3223000 -64.9629 -35.2646 8.23229 -29.9919 43.9428 -45.3469 5.40568 -47.0938 41.1926 TIMING: 3223000 CPU: 9340.6, 0.00292443/step Wall: 9340.6, 0.00292443/step, 1.44353 hours remaining, 209.929688 MB of memory in use. ENERGY: 3223000 707.8832 2163.4920 1963.8987 122.8446 -206369.2006 17880.2692 0.0000 0.0000 34240.9607 -149289.8523 299.0348 -183530.8129 -149196.1422 298.8603 59.4069 92.7465 556829.9964 6.6795 6.7242 PRESSURE: 3223200 -44.4417 -29.1529 -27.1211 -29.1541 147.464 -135.167 -27.1196 -135.169 -46.4535 GPRESSURE: 3223200 7.72458 -18.0516 -12.9264 -12.069 214.513 -137.121 -61.4383 -71.7094 -58.0663 PRESSAVG: 3223200 -79.9671 -51.2511 16.7773 -51.251 88.2999 -42.0047 16.7773 -42.0046 -0.295149 GPRESSAVG: 3223200 -81.1693 -48.8061 14.9701 -53.7757 88.8669 -40.6886 19.6147 -41.8706 0.175948 TIMING: 3223200 CPU: 9341.19, 0.00292451/step Wall: 9341.19, 0.00292451/step, 1.44341 hours remaining, 209.929688 MB of memory in use. ENERGY: 3223200 744.9341 2157.7338 1935.5725 121.2495 -206078.2251 17654.3458 0.0000 0.0000 34122.5603 -149341.8291 298.0008 -183464.3895 -149246.5834 299.3077 18.8563 54.7238 557537.2817 2.6792 2.6245 PRESSURE: 3223400 -289.753 49.886 29.3573 49.8855 -11.3494 105.889 29.3577 105.888 -59.1979 GPRESSURE: 3223400 -296.463 11.7807 -22.6793 23.7842 48.8307 45.4163 14.6099 82.4254 -21.514 PRESSAVG: 3223400 41.921 -2.18578 -15.8335 -2.18578 -9.12762 10.2673 -15.8334 10.2673 -18.683 GPRESSAVG: 3223400 41.5051 -2.80151 -14.3089 -2.02433 -9.48423 8.61449 -17.292 9.77004 -18.7592 TIMING: 3223400 CPU: 9341.77, 0.00292547/step Wall: 9341.77, 0.00292547/step, 1.44372 hours remaining, 209.929688 MB of memory in use. ENERGY: 3223400 763.2732 2104.3598 2001.2492 113.9036 -205998.1916 17669.7490 0.0000 0.0000 34067.9889 -149277.6679 297.5242 -183345.6568 -149172.4171 299.0972 -120.1002 -89.7156 557526.1085 4.7035 4.4206 PRESSURE: 3223600 -117.574 56.848 -58.6107 56.848 -353.653 41.6103 -58.61 41.6119 3.53375 GPRESSURE: 3223600 -59.4921 28.6853 -34.6537 184.309 -318.633 -16.1802 -106.887 70.4101 4.16372 PRESSAVG: 3223600 18.3748 29.8031 33.4007 29.803 21.3891 3.51592 33.4007 3.51585 -44.3808 GPRESSAVG: 3223600 19.3445 29.035 34.0321 31.0544 22.1791 3.89143 33.0111 4.68289 -45.7618 TIMING: 3223600 CPU: 9342.36, 0.00292147/step Wall: 9342.36, 0.00292147/step, 1.44158 hours remaining, 209.929688 MB of memory in use. ENERGY: 3223600 773.3396 2161.4837 1979.2341 114.5707 -206293.1178 17770.4278 0.0000 0.0000 34323.6846 -149170.3773 299.7573 -183494.0619 -149076.6772 299.1478 -155.8975 -124.6536 558102.0591 -1.5390 -1.4127 PRESSURE: 3223800 142.212 -92.5853 154.205 -92.5854 221.576 82.8614 154.204 82.8603 163.952 GPRESSURE: 3223800 209.573 -44.3057 206.69 -194.493 283.621 114.892 125.954 70.9639 135.339 PRESSAVG: 3223800 14.0222 22.6747 67.0076 22.6747 -5.53503 -6.41121 67.0075 -6.41119 -9.05268 GPRESSAVG: 3223800 13.8295 22.8159 65.8553 22.0947 -6.48769 -6.81227 69.0656 -7.005 -8.57295 TIMING: 3223800 CPU: 9342.94, 0.00292084/step Wall: 9342.94, 0.00292084/step, 1.44111 hours remaining, 209.929688 MB of memory in use. ENERGY: 3223800 718.0789 2160.7817 1993.4584 100.3401 -206361.7684 17925.0551 0.0000 0.0000 34260.7719 -149203.2823 299.2078 -183464.0542 -149105.2800 299.5371 175.9131 209.5111 556825.3032 -0.1885 -0.4104 PRESSURE: 3224000 274.709 64.5847 51.3069 64.5855 337.36 87.318 51.307 87.3199 -5.84123 GPRESSURE: 3224000 411.096 202.334 47.9663 39.6932 320.213 125.543 87.9084 72.4415 -16.845 PRESSAVG: 3224000 68.8655 21.7273 29.286 21.7272 -11.961 -0.711638 29.2862 -0.711646 -102.345 GPRESSAVG: 3224000 67.4063 19.8883 28.7191 23.5396 -10.9773 0.0165462 29.5336 -1.20947 -101.838 TIMING: 3224000 CPU: 9343.52, 0.00289685/step Wall: 9343.52, 0.00289685/step, 1.42911 hours remaining, 209.929688 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 725.7587 2057.3417 1950.2490 117.6656 -206668.1355 18229.1649 0.0000 0.0000 34434.1644 -149153.7913 300.7221 -183587.9557 -149048.9250 298.7710 202.0760 238.1545 557905.4685 -15.1468 -15.1364 PRESSURE: 3224200 -103.593 153.398 -105.662 153.398 -109.954 62.9183 -105.663 62.9174 51.0248 GPRESSURE: 3224200 -112.529 35.4507 -173.902 184.96 -48.7498 21.8276 -70.2617 107.029 99.8679 PRESSAVG: 3224200 -54.457 4.12498 -8.88792 4.12507 29.8082 41.4722 -8.88794 41.4723 22.2958 GPRESSAVG: 3224200 -54.4763 4.27106 -9.7406 4.96637 28.6456 39.1476 -9.78076 43.4874 23.1561 TIMING: 3224200 CPU: 9344.1, 0.00292034/step Wall: 9344.1, 0.00292034/step, 1.44054 hours remaining, 209.937500 MB of memory in use. ENERGY: 3224200 715.1873 2078.3521 1986.9183 110.9266 -205963.9033 17601.4255 0.0000 0.0000 34458.3696 -149012.7239 300.9335 -183471.0935 -148912.5343 299.6552 -54.1742 -20.4704 558220.3389 -0.7843 -0.8916 LDB: ============= START OF LOAD BALANCING ============== 9347.49 LDB: ============== END OF LOAD BALANCING =============== 9347.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9347.49 LDB: ============= START OF LOAD BALANCING ============== 9347.79 LDB: Largest compute 4772 load 0.022505 is 19.1% of average load 0.117935 LDB: Average compute 0.001727 is 1.5% of average load 0.117935 LDB: TIME 9347.79 LOAD: AVG 0.117935 MAX 0.179975 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.48 MB LDB: TIME 9347.79 LOAD: AVG 0.117935 MAX 0.179975 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.48 MB LDB: TIME 9347.79 LOAD: AVG 0.117935 MAX 0.179975 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.48 MB LDB: ============== END OF LOAD BALANCING =============== 9347.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9347.79 PRESSURE: 3224400 -243.84 77.3591 -5.21342 77.3586 -166.206 -197.617 -5.21293 -197.616 -86.6003 GPRESSURE: 3224400 -194.942 15.62 -17.1875 76.0575 -104.009 -200.586 -54.8347 -146.981 -110.627 PRESSAVG: 3224400 -20.4578 3.8702 -34.3503 3.87026 -58.8852 -27.0607 -34.3503 -27.0607 39.203 GPRESSAVG: 3224400 -20.2815 4.97475 -34.829 3.54037 -58.1013 -25.8376 -33.391 -27.3408 38.3291 TIMING: 3224400 CPU: 9344.7, 0.00297741/step Wall: 9344.7, 0.00297741/step, 1.46853 hours remaining, 209.929688 MB of memory in use. ENERGY: 3224400 766.4171 2099.5738 1966.8517 116.5164 -206142.3586 17588.7888 0.0000 0.0000 34588.9621 -149015.2487 302.0740 -183604.2108 -148913.4000 300.0996 -165.5488 -136.5261 557332.9310 -13.3800 -13.3512 PRESSURE: 3224600 -149.426 141.319 -18.7162 141.319 54.1641 13.9861 -18.716 13.984 -72.6291 GPRESSURE: 3224600 -103.806 154.455 -88.3581 127.315 56.6498 -34.0013 -19.4883 -13.799 -36.145 PRESSAVG: 3224600 63.4056 -3.38274 23.2186 -3.38272 -18.1611 -9.12555 23.2185 -9.12563 -9.12388 GPRESSAVG: 3224600 63.6047 -1.87934 23.2099 -5.75905 -18.7113 -6.85217 22.8697 -10.6552 -8.83508 TIMING: 3224600 CPU: 9345.28, 0.00288692/step Wall: 9345.28, 0.00288692/step, 1.42373 hours remaining, 210.132812 MB of memory in use. ENERGY: 3224600 730.8835 2117.4663 1989.3979 118.1193 -205735.5326 17548.7678 0.0000 0.0000 34372.4124 -148858.4854 300.1828 -183230.8978 -148762.7032 299.9886 -55.9637 -27.7672 558430.8732 12.0402 12.0194 PRESSURE: 3224800 -48.3417 -72.7941 30.5702 -72.7942 42.5889 80.5992 30.5699 80.6016 -81.3053 GPRESSURE: 3224800 -2.84893 -85.2723 57.1198 3.95112 73.4344 74.3249 -35.6391 69.5688 -55.9637 PRESSAVG: 3224800 36.2271 -30.639 -17.2227 -30.6391 12.7404 2.90673 -17.2227 2.9068 -93.5512 GPRESSAVG: 3224800 36.8331 -32.861 -14.3186 -29.1207 11.9975 1.37094 -18.9704 1.77224 -93.7075 TIMING: 3224800 CPU: 9345.85, 0.00289466/step Wall: 9345.85, 0.00289466/step, 1.42739 hours remaining, 210.132812 MB of memory in use. ENERGY: 3224800 772.8369 2069.7466 1947.9204 108.8311 -206273.7968 17941.9014 0.0000 0.0000 34343.7948 -149088.7655 299.9329 -183432.5603 -148988.6267 300.3482 -29.0194 4.8739 557423.0031 -14.8612 -14.9590 PRESSURE: 3225000 98.9642 157.282 61.1332 157.282 -18.4244 -21.3163 61.1339 -21.3175 54.4717 GPRESSURE: 3225000 74.273 125.533 69.2656 144.854 61.1888 51.5697 8.09055 -54.3909 98.2615 PRESSAVG: 3225000 -5.51023 -49.3588 -12.979 -49.3587 -11.2515 2.4581 -12.9791 2.45804 37.9371 GPRESSAVG: 3225000 -5.83513 -47.7581 -14.9369 -51.1332 -9.92167 4.68292 -11.9236 3.3422 36.3768 TIMING: 3225000 CPU: 9346.44, 0.00293246/step Wall: 9346.44, 0.00293245/step, 1.44586 hours remaining, 210.132812 MB of memory in use. ENERGY: 3225000 748.6660 2101.9156 1979.3735 129.6025 -206163.8934 17870.8436 0.0000 0.0000 34338.6938 -148994.7983 299.8884 -183333.4921 -148902.9196 299.8399 45.0039 77.9077 556790.0282 7.0585 6.8733 PRESSURE: 3225200 -32.4923 39.8796 44.0467 39.8788 -122.563 127.36 44.0464 127.361 -238.889 GPRESSURE: 3225200 45.0523 83.0263 14.2103 -2.20618 -106.211 144.551 52.2849 114.756 -239.923 PRESSAVG: 3225200 -16.0082 48.7737 7.04434 48.7735 -2.64852 23.4882 7.04433 23.4883 5.91506 GPRESSAVG: 3225200 -15.5699 47.835 6.21485 47.6229 -2.91056 23.3159 8.50994 21.1272 5.75643 TIMING: 3225200 CPU: 9347.02, 0.00288784/step Wall: 9347.02, 0.00288784/step, 1.4237 hours remaining, 210.132812 MB of memory in use. ENERGY: 3225200 742.6302 2135.7975 1962.2210 119.1650 -206044.9017 17740.0438 0.0000 0.0000 34269.5336 -149075.5106 299.2844 -183345.0442 -148981.5292 299.3698 -131.3149 -100.3606 558446.1435 -4.2472 -4.2414 PRESSURE: 3225400 -304.548 3.75883 -36.7021 3.75848 -271.6 61.2288 -36.7032 61.2275 -342.269 GPRESSURE: 3225400 -261.843 -38.5087 -63.4426 -9.34895 -204.123 -13.6336 -6.78485 116.301 -349.916 PRESSAVG: 3225400 3.48466 -38.0141 -35.3222 -38.0141 -84.4569 31.6404 -35.3222 31.6404 54.8833 GPRESSAVG: 3225400 4.40679 -37.887 -33.8106 -36.0533 -84.7489 28.1054 -36.388 36.6886 54.4825 TIMING: 3225400 CPU: 9347.6, 0.0029019/step Wall: 9347.6, 0.0029019/step, 1.43048 hours remaining, 210.132812 MB of memory in use. ENERGY: 3225400 755.1726 2123.9011 1935.2660 104.2914 -205784.6782 17492.5788 0.0000 0.0000 34236.7742 -149136.6942 298.9983 -183373.4684 -149042.4515 300.0913 -306.1390 -271.9607 559243.8558 -8.6963 -8.6199 PRESSURE: 3225600 -39.1997 -18.1863 -98.63 -18.1877 -152.041 89.9548 -98.6315 89.9533 -198.525 GPRESSURE: 3225600 6.42421 -1.16864 -72.7261 -9.07396 -86.9449 93.9695 -87.7604 64.6391 -224.426 PRESSAVG: 3225600 6.55977 -37.034 -7.2674 -37.034 1.46914 -3.8004 -7.26745 -3.80039 28.8228 GPRESSAVG: 3225600 6.5176 -34.9116 -8.95259 -36.6197 1.55336 -2.58209 -6.368 -6.59586 28.1764 TIMING: 3225600 CPU: 9348.18, 0.00289772/step Wall: 9348.18, 0.00289772/step, 1.42826 hours remaining, 210.132812 MB of memory in use. ENERGY: 3225600 772.8017 2093.0947 1940.0824 114.2912 -205813.5129 17622.1789 0.0000 0.0000 34184.7952 -149086.2687 298.5443 -183271.0639 -148992.0138 299.7519 -129.9221 -101.6489 556484.0711 12.2839 12.0824 PRESSURE: 3225800 -113.97 -26.4897 29.3213 -26.49 -166.004 -279.464 29.3212 -279.464 -213.528 GPRESSURE: 3225800 -101.03 39.1546 65.0354 -29.3138 -141.72 -212.938 61.5468 -286.388 -150.619 PRESSAVG: 3225800 46.5671 3.39222 35.9979 3.39221 -25.7943 16.804 35.9979 16.8039 -40.0956 GPRESSAVG: 3225800 46.0453 2.94879 39.4278 1.40372 -26.4952 17.2583 32.675 16.3915 -39.4589 TIMING: 3225800 CPU: 9348.76, 0.00288587/step Wall: 9348.76, 0.00288587/step, 1.42225 hours remaining, 210.132812 MB of memory in use. ENERGY: 3225800 765.1967 2062.2078 1953.5544 101.5072 -206042.1214 17616.2871 0.0000 0.0000 34226.5933 -149316.7750 298.9094 -183543.3683 -149218.4365 299.5971 -164.5007 -131.1227 558043.4385 -6.4409 -6.6363 PRESSURE: 3226000 36.5088 -78.202 -24.6231 -78.2024 -210.068 62.3545 -24.6229 62.353 -19.5242 GPRESSURE: 3226000 29.3911 -8.35889 -81.9416 -26.7625 -164.605 -15.1003 39.5849 83.9601 33.5911 PRESSAVG: 3226000 33.0461 7.27174 14.3587 7.27173 -5.09956 -5.57188 14.3586 -5.57186 38.0605 GPRESSAVG: 3226000 33.4914 6.70331 14.0049 7.84389 -4.3794 -4.03548 17.5568 -6.15253 36.7138 TIMING: 3226000 CPU: 9349.34, 0.00289606/step Wall: 9349.34, 0.00289606/step, 1.42711 hours remaining, 210.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3226000 754.6145 2063.5091 1934.2145 109.2514 -206077.3354 17758.5099 0.0000 0.0000 34264.5049 -149192.7312 299.2404 -183457.2361 -149098.0053 299.5546 -64.3612 -33.8743 558425.8050 22.0023 21.9419 PRESSURE: 3226200 -140.902 24.9028 42.6075 24.9024 41.0138 -53.6368 42.6077 -53.6365 -27.1176 GPRESSURE: 3226200 -96.829 83.7995 99.892 -28.9053 62.2803 -7.48824 12.977 -85.582 14.5671 PRESSAVG: 3226200 -32.7249 -19.3484 0.016863 -19.3484 -4.40712 -16.3864 0.0168621 -16.3863 30.2359 GPRESSAVG: 3226200 -33.332 -20.1462 -2.16538 -17.9104 -4.05669 -17.2106 -1.84199 -16.6382 31.2072 TIMING: 3226200 CPU: 9349.92, 0.00294249/step Wall: 9349.92, 0.00294249/step, 1.44983 hours remaining, 210.132812 MB of memory in use. ENERGY: 3226200 733.3039 2119.0872 1927.1730 99.4398 -206044.1204 17688.7373 0.0000 0.0000 34159.0134 -149317.3659 298.3192 -183476.3792 -149214.6613 299.0234 -42.3353 -6.6605 560033.1683 -2.2987 -2.0605 PRESSURE: 3226400 211.458 -91.0455 -6.67923 -91.0464 160.098 22.6163 -6.67871 22.616 21.0235 GPRESSURE: 3226400 287.552 -85.3435 -80.8234 -72.354 184.477 43.897 87.2044 71.9367 29.1295 PRESSAVG: 3226400 41.4197 -18.1757 24.3957 -18.1758 3.5616 26.7693 24.3957 26.7693 -27.5285 GPRESSAVG: 3226400 42.8269 -19.0074 24.786 -19.2796 2.57981 24.125 25.3757 28.5522 -28.1155 TIMING: 3226400 CPU: 9350.51, 0.00293337/step Wall: 9350.51, 0.00293337/step, 1.44517 hours remaining, 210.132812 MB of memory in use. ENERGY: 3226400 736.0580 2064.3403 1947.7818 113.5501 -206569.9438 18130.6916 0.0000 0.0000 34263.0441 -149314.4779 299.2277 -183577.5221 -149211.6023 299.5588 130.8597 167.0530 557794.6238 5.8176 5.7637 PRESSURE: 3226600 -52.4375 232.011 113.408 232.01 77.2939 -113.972 113.407 -113.971 9.05204 GPRESSURE: 3226600 -8.06342 138.243 69.3035 245.239 108.248 -207.645 173.973 -34.4118 35.3382 PRESSAVG: 3226600 28.6336 11.7624 -10.9485 11.7625 -51.6326 31.231 -10.9485 31.2309 9.06964 GPRESSAVG: 3226600 27.9724 12.8201 -9.35515 10.5201 -51.5714 34.1659 -11.4828 31.0711 10.119 TIMING: 3226600 CPU: 9351.1, 0.00293088/step Wall: 9351.1, 0.00293088/step, 1.44378 hours remaining, 210.132812 MB of memory in use. ENERGY: 3226600 725.2866 2013.8666 1958.7645 112.6686 -206360.3764 17719.4577 0.0000 0.0000 34477.4866 -149352.8458 301.1005 -183830.3324 -149246.9747 299.8611 11.3028 45.1743 557835.1534 -4.6431 -4.4933 PRESSURE: 3226800 -138.019 144.04 -116.327 144.039 -152.384 3.40681 -116.326 3.40761 -88.8898 GPRESSURE: 3226800 -125.711 244.492 -189.52 58.9469 -135.068 58.4695 -130.969 -64.1012 -26.3007 PRESSAVG: 3226800 -54.0099 41.9694 -0.0451911 41.9695 -1.9448 -14.9714 -0.0451765 -14.9715 36.8478 GPRESSAVG: 3226800 -54.1525 42.7286 -0.80958 41.071 -2.22775 -17.9568 -0.232442 -15.5361 36.5435 TIMING: 3226800 CPU: 9351.69, 0.00294494/step Wall: 9351.69, 0.00294494/step, 1.45055 hours remaining, 210.132812 MB of memory in use. ENERGY: 3226800 723.6295 2123.0199 1948.0496 110.4404 -206104.1943 17589.0279 0.0000 0.0000 34251.9242 -149358.1029 299.1306 -183610.0270 -149267.3158 299.4448 -126.4307 -95.6933 557183.2301 -6.3690 -6.6122 PRESSURE: 3227000 -121.275 95.5292 144.503 95.5303 173.701 -4.87165 144.503 -4.87061 95.7042 GPRESSURE: 3227000 -106.025 152.431 216.177 60.2696 244.331 2.60165 185.397 -16.6897 109.437 PRESSAVG: 3227000 7.11064 36.5998 14.3019 36.5998 7.63011 13.5424 14.302 13.5424 -5.59678 GPRESSAVG: 3227000 7.14256 37.485 16.5412 37.7623 8.37032 16.1219 14.5679 14.0885 -5.63149 TIMING: 3227000 CPU: 9352.27, 0.00293816/step Wall: 9352.27, 0.00293816/step, 1.44704 hours remaining, 210.132812 MB of memory in use. ENERGY: 3227000 720.7696 2118.4184 1966.0709 108.4256 -206515.3952 17894.6907 0.0000 0.0000 34168.4464 -149538.5735 298.4015 -183707.0199 -149444.1969 298.5754 49.3766 82.5811 556711.0811 3.0480 3.2938 PRESSURE: 3227200 215.135 6.18027 20.5346 6.17915 -142.86 53.0712 20.5346 53.0687 95.2179 GPRESSURE: 3227200 258.914 -26.1892 59.8132 13.3395 -114.733 11.9307 -57.367 4.78061 124.836 PRESSAVG: 3227200 28.0979 16.3733 25.5654 16.3733 -8.50685 39.8287 25.5653 39.8286 -20.0935 GPRESSAVG: 3227200 27.2477 14.3933 24.2216 17.9705 -7.61306 40.3676 24.9344 38.0756 -19.7842 TIMING: 3227200 CPU: 9352.86, 0.00291901/step Wall: 9352.86, 0.00291901/step, 1.43745 hours remaining, 210.132812 MB of memory in use. ENERGY: 3227200 759.4701 2038.6651 1952.4687 119.1330 -206433.5938 17981.5877 0.0000 0.0000 34043.3052 -149538.9639 297.3087 -183582.2691 -149437.6324 298.6339 55.8309 89.6726 558127.7717 -0.1675 -0.0498 PRESSURE: 3227400 -147.025 -73.1197 -115.306 -73.1208 -99.3061 142.381 -115.305 142.384 -142.57 GPRESSURE: 3227400 -157.642 -50.6326 -127.796 -67.0479 -7.37505 130.688 -157.794 145.99 -126.811 PRESSAVG: 3227400 38.2349 2.30138 -13.3938 2.30139 11.2741 -12.611 -13.3938 -12.6111 -25.6128 GPRESSAVG: 3227400 38.5724 2.29165 -13.8512 1.82115 11.2773 -13.4429 -11.4555 -13.163 -26.0092 TIMING: 3227400 CPU: 9353.44, 0.00290675/step Wall: 9353.44, 0.00290675/step, 1.43125 hours remaining, 210.132812 MB of memory in use. ENERGY: 3227400 694.2473 2068.3267 1965.1189 128.2123 -206168.5045 17623.2662 0.0000 0.0000 34140.7581 -149548.5750 298.1597 -183689.3332 -149455.4994 298.6665 -129.6337 -97.2760 559281.6808 7.9654 7.9468 PRESSURE: 3227600 198.954 -61.4149 -100.027 -61.4138 -292.985 -184.565 -100.028 -184.563 -25.0117 GPRESSURE: 3227600 285.844 5.52089 -127.579 -95.4592 -315.164 -57.8467 -89.4244 -186.367 16.0321 PRESSAVG: 3227600 -9.39487 22.6623 -26.1982 22.6624 -34.2427 -30.7819 -26.1983 -30.7819 6.62722 GPRESSAVG: 3227600 -8.47347 23.5812 -24.2416 22.3307 -35.1913 -30.9156 -29.1974 -28.2889 6.56077 TIMING: 3227600 CPU: 9354.02, 0.00291093/step Wall: 9354.02, 0.00291093/step, 1.43315 hours remaining, 210.132812 MB of memory in use. ENERGY: 3227600 780.0173 2072.9565 1970.0516 100.2082 -206541.8531 17954.5594 0.0000 0.0000 34202.8005 -149461.2595 298.7016 -183664.0600 -149364.8637 298.1709 -39.6810 -4.4290 558069.5617 -12.3368 -12.3680 PRESSURE: 3227800 -14.5938 -86.3996 114.915 -86.4004 -100.616 -59.4908 114.915 -59.4891 53.6284 GPRESSURE: 3227800 16.5421 -82.0335 125.572 -157.566 -104.1 -27.3812 147.162 6.07635 118.497 PRESSAVG: 3227800 64.3498 7.71806 -33.5124 7.71809 -27.5292 -32.4036 -33.5124 -32.4036 21.0497 GPRESSAVG: 3227800 63.6714 9.24151 -35.2798 5.67316 -28.2573 -30.4881 -33.5336 -35.4453 22.5542 TIMING: 3227800 CPU: 9354.6, 0.00289574/step Wall: 9354.6, 0.00289574/step, 1.42551 hours remaining, 210.132812 MB of memory in use. ENERGY: 3227800 729.2233 2062.6939 1926.6395 117.6214 -206265.0227 17775.7265 0.0000 0.0000 34032.9767 -149620.1415 297.2185 -183653.1182 -149522.1210 298.6545 -20.5273 10.3132 557481.3265 19.2901 19.3228 PRESSURE: 3228000 45.0015 144.461 102.013 144.461 149.926 -180.616 102.014 -180.618 56.0144 GPRESSURE: 3228000 42.2558 120.453 99.3269 96.8814 234.861 -74.3422 71.6918 -262.691 73.0435 PRESSAVG: 3228000 12.175 -56.4646 -11.2641 -56.4646 12.6236 -70.9277 -11.2641 -70.9277 3.21146 GPRESSAVG: 3228000 11.1337 -58.3264 -10.8439 -54.246 14.3594 -73.0108 -10.3931 -69.4208 2.39252 TIMING: 3228000 CPU: 9355.18, 0.00291603/step Wall: 9355.18, 0.00291603/step, 1.43533 hours remaining, 210.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3228000 730.3523 2053.1752 1939.3222 128.3385 -206173.5419 17811.3125 0.0000 0.0000 33920.0407 -149591.0006 296.2322 -183511.0413 -149500.2121 298.4450 83.6473 116.7202 556776.7327 9.3367 9.2952 PRESSURE: 3228200 71.5126 -31.6072 -88.4866 -31.608 107.169 -23.5748 -88.487 -23.5749 -17.4972 GPRESSURE: 3228200 131.904 -61.4341 -18.1435 46.5518 86.3691 -112.992 -134.678 93.9732 30.3384 PRESSAVG: 3228200 48.7767 17.2521 18.1997 17.252 31.9933 17.4355 18.1996 17.4356 -45.5177 GPRESSAVG: 3228200 49.9281 18.0168 18.928 15.6223 31.5567 17.3808 18.7184 19.4117 -46.1496 TIMING: 3228200 CPU: 9355.76, 0.00290093/step Wall: 9355.76, 0.00290093/step, 1.42774 hours remaining, 210.132812 MB of memory in use. ENERGY: 3228200 745.8389 2067.5340 1972.3143 120.1577 -206558.6381 17777.7353 0.0000 0.0000 34426.8254 -149448.2324 300.6580 -183875.0579 -149347.8595 298.4465 53.7282 82.8706 556309.1734 11.7508 11.7784 LDB: ============= START OF LOAD BALANCING ============== 9359.15 LDB: ============== END OF LOAD BALANCING =============== 9359.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9359.15 LDB: ============= START OF LOAD BALANCING ============== 9359.44 LDB: Largest compute 4772 load 0.023665 is 20.1% of average load 0.117978 LDB: Average compute 0.001726 is 1.5% of average load 0.117978 LDB: TIME 9359.44 LOAD: AVG 0.117978 MAX 0.17872 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.188 MB LDB: TIME 9359.44 LOAD: AVG 0.117978 MAX 0.17872 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: TIME 9359.44 LOAD: AVG 0.117978 MAX 0.17872 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9359.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9359.45 PRESSURE: 3228400 -59.6841 -9.43959 -94.8759 -9.44012 -400.749 209.425 -94.875 209.425 -187.706 GPRESSURE: 3228400 -57.9449 -25.4346 -102.22 -0.134988 -368.377 163.846 -67.4627 219.378 -141.141 PRESSAVG: 3228400 22.0329 35.7565 -34.9942 35.7565 -25.9868 14.4101 -34.9943 14.4102 -17.2942 GPRESSAVG: 3228400 22.5377 35.0475 -35.7818 37.5447 -25.9629 13.5442 -34.0709 15.4694 -17.9776 TIMING: 3228400 CPU: 9356.35, 0.00294612/step Wall: 9356.35, 0.00294612/step, 1.44982 hours remaining, 211.468750 MB of memory in use. ENERGY: 3228400 773.5877 2055.2624 1945.3716 114.7340 -206090.6597 17643.6488 0.0000 0.0000 34217.0612 -149340.9940 298.8261 -183558.0552 -149247.5883 299.2976 -216.0466 -189.1542 558304.0046 -7.0827 -7.1342 PRESSURE: 3228600 -114.591 -12.2081 -88.2879 -12.2083 -61.1374 70.3157 -88.2871 70.3163 185.633 GPRESSURE: 3228600 -59.0472 -59.9389 -170.072 -48.7571 -22.7056 139.77 -27.0545 84.6303 185.744 PRESSAVG: 3228600 39.3164 15.4124 14.6443 15.4124 -7.25153 1.78725 14.6441 1.78721 0.324311 GPRESSAVG: 3228600 40.6044 15.4986 15.0888 14.3843 -7.66912 3.86088 14.493 -0.743017 -0.893741 TIMING: 3228600 CPU: 9356.93, 0.00290064/step Wall: 9356.93, 0.00290064/step, 1.42728 hours remaining, 211.539062 MB of memory in use. ENERGY: 3228600 734.0092 2079.0785 1953.0178 126.3127 -206391.6917 17874.6756 0.0000 0.0000 34270.2101 -149354.3877 299.2903 -183624.5979 -149252.9893 298.7170 3.3016 34.6638 557335.4252 10.7964 10.6805 PRESSURE: 3228800 -59.2597 58.5789 71.4385 58.5786 -23.6091 7.69066 71.4396 7.68957 -145.651 GPRESSURE: 3228800 -67.116 147.675 8.17742 83.1433 9.66129 117.492 64.3563 6.28009 -72.4203 PRESSAVG: 3228800 65.1638 43.7258 -19.1136 43.7259 0.678902 -8.33256 -19.1136 -8.33262 -67.7459 GPRESSAVG: 3228800 63.2708 43.4109 -20.7224 43.2504 0.700287 -9.69733 -18.7512 -6.67328 -66.2105 TIMING: 3228800 CPU: 9357.51, 0.00289828/step Wall: 9357.51, 0.00289828/step, 1.42595 hours remaining, 211.539062 MB of memory in use. ENERGY: 3228800 706.5884 2110.4564 1966.8734 127.0702 -206097.2139 17647.0606 0.0000 0.0000 34325.0772 -149214.0877 299.7694 -183539.1649 -149118.1423 299.1924 -76.1733 -43.2917 558270.6545 -0.6344 -0.7464 PRESSURE: 3229000 41.5157 -159.14 -106.281 -159.141 -38.0746 128.987 -106.281 128.988 7.70996 GPRESSURE: 3229000 78.1948 -85.245 -52.9477 -134.945 12.2959 152.949 -148.624 114.042 22.2317 PRESSAVG: 3229000 -10.154 27.3905 -44.9892 27.3904 -48.9307 -7.41319 -44.9892 -7.41316 53.6824 GPRESSAVG: 3229000 -9.71739 27.4456 -44.7943 27.4105 -48.8104 -6.64922 -45.9801 -8.6425 53.5278 TIMING: 3229000 CPU: 9358.09, 0.0028872/step Wall: 9358.09, 0.0028872/step, 1.42034 hours remaining, 211.539062 MB of memory in use. ENERGY: 3229000 730.8983 2102.1513 1938.0160 106.9831 -206140.5058 17703.3011 0.0000 0.0000 34366.1518 -149193.0042 300.1282 -183559.1559 -149096.3897 299.9658 3.7170 37.5741 556066.3700 -1.8008 -1.6667 PRESSURE: 3229200 -97.8285 -252.871 -48.8206 -252.871 101.671 91.596 -48.8205 91.598 184.874 GPRESSURE: 3229200 -73.7674 -274.814 2.00727 -241.792 176.761 102.996 -28.4138 21.8983 189.009 PRESSAVG: 3229200 -41.6528 -16.5976 -29.1197 -16.5975 31.7294 11.0865 -29.1197 11.0866 14.3099 GPRESSAVG: 3229200 -42.5368 -16.3602 -27.5742 -15.4156 32.3265 11.0227 -29.2194 9.97033 14.5189 TIMING: 3229200 CPU: 9358.67, 0.00290687/step Wall: 9358.67, 0.00290687/step, 1.42986 hours remaining, 211.539062 MB of memory in use. ENERGY: 3229200 742.2082 2065.2997 1938.8059 104.1975 -206678.3918 18103.1299 0.0000 0.0000 34590.6606 -149134.0901 302.0888 -183724.7507 -149037.2263 299.9505 62.9053 97.3343 557228.4583 1.4622 1.4362 PRESSURE: 3229400 271.198 31.9123 -67.1481 31.9134 237.423 22.7906 -67.1475 22.7912 -3.79912 GPRESSURE: 3229400 286.61 74.6557 -141.839 118.15 238.485 64.5766 5.40097 -98.3907 70.3232 PRESSAVG: 3229400 -4.48871 -43.8137 -31.2026 -43.8137 -47.6979 -8.90968 -31.2026 -8.9098 36.7391 GPRESSAVG: 3229400 -4.96647 -42.0919 -32.5312 -45.4593 -47.514 -8.24062 -31.3429 -8.80602 36.5656 TIMING: 3229400 CPU: 9359.25, 0.00290091/step Wall: 9359.25, 0.00290091/step, 1.42677 hours remaining, 211.539062 MB of memory in use. ENERGY: 3229400 754.4664 2119.4000 1959.4231 110.9694 -206250.9249 17972.4148 0.0000 0.0000 34147.2480 -149187.0032 298.2164 -183334.2512 -149096.8808 299.4609 168.2739 198.4730 557022.7691 -5.1492 -5.3050 PRESSURE: 3229600 19.7027 65.8882 -97.2292 65.8892 -283.829 -29.6696 -97.2285 -29.6689 -253.257 GPRESSURE: 3229600 -18.8561 57.2139 -92.1378 43.1993 -193.482 20.441 -47.9455 -74.7462 -191.377 PRESSAVG: 3229600 -27.4111 -15.0599 -26.8759 -15.0599 48.2661 14.4662 -26.8759 14.466 -11.0629 GPRESSAVG: 3229600 -26.7482 -17.254 -26.2211 -13.7149 47.1683 14.6305 -28.6818 15.1579 -10.2006 TIMING: 3229600 CPU: 9359.83, 0.00289408/step Wall: 9359.83, 0.00289408/step, 1.42325 hours remaining, 211.539062 MB of memory in use. ENERGY: 3229600 715.2545 2067.9866 1961.2289 114.2997 -205956.6833 17519.0115 0.0000 0.0000 34398.3391 -149180.5630 300.4093 -183578.9021 -149078.7439 299.6960 -172.4611 -134.5717 558326.6616 3.2640 3.4065 PRESSURE: 3229800 11.57 -22.8716 -77.063 -22.8719 -37.3117 -121.998 -77.0632 -121.997 33.2166 GPRESSURE: 3229800 30.518 -15.5023 -77.1563 33.8355 -40.1679 -84.137 -103.822 -102.327 112.204 PRESSAVG: 3229800 17.5162 -7.94151 7.73525 -7.94154 4.1073 -22.9822 7.73524 -22.9821 -2.54497 GPRESSAVG: 3229800 17.6452 -8.5777 6.2396 -6.98264 5.41595 -23.3837 10.772 -22.4241 -3.70041 TIMING: 3229800 CPU: 9360.41, 0.00291217/step Wall: 9360.41, 0.00291217/step, 1.43198 hours remaining, 211.539062 MB of memory in use. ENERGY: 3229800 697.5711 2116.7995 1960.5337 115.5587 -205860.2194 17613.0403 0.0000 0.0000 34323.5481 -149033.1680 299.7561 -183356.7161 -148934.3531 299.9639 2.4916 34.1846 557554.2503 6.3595 6.4536 PRESSURE: 3230000 -27.2424 58.8443 155.092 58.8452 -30.5907 65.814 155.092 65.8161 97.6938 GPRESSURE: 3230000 56.455 12.3903 165.163 16.7461 -32.9368 1.29085 120.946 80.8472 125.569 PRESSAVG: 3230000 -15.8656 -51.8154 46.2468 -51.8154 -26.2671 -39.5671 46.2468 -39.5672 0.818734 GPRESSAVG: 3230000 -14.7505 -50.5953 46.0093 -53.7564 -27.3067 -38.9566 46.6421 -40.3866 1.72566 TIMING: 3230000 CPU: 9360.99, 0.0029016/step Wall: 9360.99, 0.0029016/step, 1.42662 hours remaining, 211.539062 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: 3230000 722.0936 2106.5451 1938.3691 114.6481 -205885.5286 17760.5837 0.0000 0.0000 34385.2561 -148858.0329 300.2950 -183243.2890 -148764.1030 299.8967 13.2869 49.6959 556520.2587 -13.7713 -13.4439 PRESSURE: 3230200 -174.119 74.2499 74.521 74.2497 78.153 -91.0459 74.5196 -91.0457 138.207 GPRESSURE: 3230200 -66.1625 115.564 -3.91268 135.297 117.113 -16.3659 107.545 -80.3501 102.325 PRESSAVG: 3230200 -68.0673 10.0855 30.3423 10.0854 -27.9562 -15.3299 30.3422 -15.3299 83.7249 GPRESSAVG: 3230200 -67.825 10.8137 30.3214 12.3693 -28.5848 -16.8992 30.2776 -13.802 83.9047 TIMING: 3230200 CPU: 9361.58, 0.00291999/step Wall: 9361.58, 0.00291999/step, 1.4355 hours remaining, 211.539062 MB of memory in use. ENERGY: 3230200 755.1576 2087.8061 1963.6523 103.7711 -205775.8655 17793.9379 0.0000 0.0000 34236.3383 -148835.2022 298.9945 -183071.5405 -148742.0751 300.5316 14.0803 51.0919 557520.0808 -4.0995 -4.1683 PRESSURE: 3230400 63.9077 120.279 27.1287 120.281 43.5702 -37.0695 27.1292 -37.0694 45.8014 GPRESSURE: 3230400 34.3655 94.0575 25.6598 135.944 114.592 -29.3879 10.2628 -24.4262 103.542 PRESSAVG: 3230400 1.79716 -0.000480935 -26.1229 -0.000469073 49.8316 -44.5374 -26.1229 -44.5375 -6.57988 GPRESSAVG: 3230400 0.755437 -2.57481 -25.2005 -0.853696 50.4345 -42.9516 -27.6824 -45.8102 -6.03295 TIMING: 3230400 CPU: 9362.16, 0.00293849/step Wall: 9362.16, 0.00293849/step, 1.44443 hours remaining, 211.539062 MB of memory in use. ENERGY: 3230400 757.4605 2109.6918 1958.0918 119.5654 -206133.0098 17830.2836 0.0000 0.0000 34441.9700 -148915.9467 300.7903 -183357.9167 -148822.6334 300.0471 51.0931 84.1663 557841.8838 15.0163 15.0523 PRESSURE: 3230600 200.609 -101.504 -65.2686 -101.503 -114.09 -73.8523 -65.2702 -73.8531 -31.2066 GPRESSURE: 3230600 183.034 -61.6305 -86.328 -113.633 -48.8424 -128.216 -83.4804 -49.0406 3.70844 PRESSAVG: 3230600 -13.7159 -15.6955 -47.2881 -15.6956 43.5184 3.69644 -47.288 3.69654 -19.9584 GPRESSAVG: 3230600 -13.3205 -14.0419 -46.5083 -16.5396 43.1674 4.04413 -45.5581 2.7358 -20.9251 TIMING: 3230600 CPU: 9362.74, 0.00288973/step Wall: 9362.74, 0.00288973/step, 1.4203 hours remaining, 211.539062 MB of memory in use. ENERGY: 3230600 741.1528 2090.8882 1955.3416 124.9947 -206100.6202 17854.7965 0.0000 0.0000 34557.0013 -148776.4450 301.7949 -183333.4463 -148682.8226 301.4479 18.4375 45.9667 557212.2213 3.2814 2.9739 PRESSURE: 3230800 -228.559 -77.0848 114.951 -77.0846 -151.096 112.89 114.951 112.889 -315.449 GPRESSURE: 3230800 -196.418 -35.4374 115.102 -154.036 -141.394 64.2381 144.086 96.005 -264.902 PRESSAVG: 3230800 -39.8982 0.0617163 -5.63452 0.0617847 41.4873 -21.6754 -5.63448 -21.6754 12.0093 GPRESSAVG: 3230800 -38.809 0.908829 -4.52793 -0.397447 40.5081 -22.1087 -7.50342 -20.4665 11.7759 TIMING: 3230800 CPU: 9363.32, 0.00289742/step Wall: 9363.32, 0.00289742/step, 1.42392 hours remaining, 211.539062 MB of memory in use. ENERGY: 3230800 787.0965 2123.9393 1971.8541 114.3385 -205655.8889 17528.0443 0.0000 0.0000 34461.5961 -148669.0201 300.9617 -183130.6162 -148574.7949 301.1369 -231.7017 -200.9048 559410.5949 4.5328 4.4917 PRESSURE: 3231000 83.2373 73.5492 -22.703 73.5494 142.362 -9.49394 -22.7041 -9.49379 51.1908 GPRESSURE: 3231000 87.4943 74.5362 7.34471 29.5334 192.31 32.4457 -85.1737 -10.7393 98.0156 PRESSAVG: 3231000 -74.1497 -22.5325 -29.414 -22.5326 21.84 11.2774 -29.4141 11.2773 81.7239 GPRESSAVG: 3231000 -75.787 -22.4799 -29.8651 -22.1581 22.8205 11.4802 -28.1724 11.0198 82.077 TIMING: 3231000 CPU: 9363.91, 0.00292855/step Wall: 9363.91, 0.00292855/step, 1.43906 hours remaining, 211.539062 MB of memory in use. ENERGY: 3231000 757.7593 2160.3599 1986.7986 111.9164 -206212.4607 18039.9150 0.0000 0.0000 34437.2589 -148718.4526 300.7491 -183155.7115 -148627.8987 301.5712 92.2634 125.9401 558408.5983 9.8048 9.7035 PRESSURE: 3231200 197.869 136.142 88.2548 136.143 206.44 -63.328 88.2541 -63.3277 -65.79 GPRESSURE: 3231200 205.282 164.434 160.805 107.802 205.483 -28.2511 87.044 72.5781 12.8769 PRESSAVG: 3231200 -49.7378 -50.2809 -44.0943 -50.2809 115.014 26.8486 -44.0944 26.8487 1.18205 GPRESSAVG: 3231200 -49.0261 -51.16 -44.239 -51.2422 113.885 27.0561 -45.2639 26.6364 1.39931 TIMING: 3231200 CPU: 9364.49, 0.00292809/step Wall: 9364.49, 0.00292809/step, 1.43867 hours remaining, 211.539062 MB of memory in use. ENERGY: 3231200 755.1244 2079.1567 1957.1295 112.2850 -206009.6436 17960.6822 0.0000 0.0000 34274.8900 -148870.3758 299.3311 -183145.2658 -148768.5979 300.6791 112.8395 141.2140 558127.2033 22.1529 22.0862 PRESSURE: 3231400 -136.814 35.3556 -28.6204 35.3564 -349.523 -3.82373 -28.6205 -3.82445 28.1329 GPRESSURE: 3231400 -81.3087 84.6267 27.9165 66.0555 -319.287 -97.1899 -82.0985 39.0119 45.4968 PRESSAVG: 3231400 30.8035 33.8637 5.93719 33.8638 -34.5288 5.56377 5.93719 5.56376 -1.62714 GPRESSAVG: 3231400 30.6625 32.9808 6.32218 34.8385 -33.5625 5.09522 6.04428 6.33053 -2.51572 TIMING: 3231400 CPU: 9365.08, 0.00294016/step Wall: 9365.08, 0.00294016/step, 1.44444 hours remaining, 211.539062 MB of memory in use. ENERGY: 3231400 745.6801 2058.7330 1962.5380 113.2419 -205711.3303 17592.3252 0.0000 0.0000 34251.5904 -148987.2217 299.1277 -183238.8121 -148888.2562 299.7746 -152.7347 -118.3662 559441.2311 -1.7841 -1.8052 PRESSURE: 3231600 90.2975 -103.584 -40.4365 -103.582 34.404 -183.613 -40.4367 -183.612 142.41 GPRESSURE: 3231600 129.482 -88.0605 -100.572 -96.5759 82.5675 -176.664 -35.4008 -120.371 155.007 PRESSAVG: 3231600 16.6922 -39.1139 -22.856 -39.1138 -28.0228 -45.7758 -22.8561 -45.7759 -8.86417 GPRESSAVG: 3231600 16.9075 -36.8857 -24.2097 -38.7961 -29.2337 -45.418 -21.057 -45.5367 -7.9543 TIMING: 3231600 CPU: 9365.66, 0.00291382/step Wall: 9365.66, 0.00291382/step, 1.43134 hours remaining, 211.539062 MB of memory in use. ENERGY: 3231600 743.2646 2063.2937 1927.7568 105.3409 -205854.9527 17958.0251 0.0000 0.0000 34133.1810 -148924.0906 298.0936 -183057.2716 -148826.4659 299.3525 89.0371 122.3522 558619.6302 -6.7316 -6.7602 PRESSURE: 3231800 77.4956 -21.66 -67.8378 -21.6598 -216.867 39.3442 -67.8382 39.3427 -64.5811 GPRESSURE: 3231800 55.6442 -8.75678 -92.8255 -26.4306 -140.901 52.7834 -120.758 32.7848 -25.7144 PRESSAVG: 3231800 30.472 -42.3117 -14.0481 -42.3117 -9.94823 -61.5278 -14.0481 -61.5277 25.076 GPRESSAVG: 3231800 29.1253 -43.3746 -13.7389 -44.6204 -7.76324 -63.256 -15.3905 -62.3081 24.1521 TIMING: 3231800 CPU: 9366.24, 0.00288961/step Wall: 9366.24, 0.00288961/step, 1.41928 hours remaining, 211.539062 MB of memory in use. ENERGY: 3231800 733.2756 2085.5684 1945.2048 102.2779 -206046.9436 17843.5608 0.0000 0.0000 34387.4196 -148949.6366 300.3139 -183337.0562 -148852.5899 299.5033 -67.9841 -36.9904 560174.5782 15.1999 15.1714 PRESSURE: 3232000 -39.5633 12.603 49.6828 12.6023 45.2053 36.2092 49.6827 36.2099 -96.604 GPRESSURE: 3232000 -40.3925 18.0633 50.271 -7.02895 101.558 133.759 -3.96169 41.9896 -41.2213 PRESSAVG: 3232000 11.1794 -16.7353 -31.6844 -16.7353 10.1014 -25.6967 -31.6845 -25.6967 -56.0324 GPRESSAVG: 3232000 12.3951 -18.7385 -32.9374 -14.6827 8.14897 -23.8614 -29.3066 -26.2485 -54.9307 TIMING: 3232000 CPU: 9366.82, 0.00290006/step Wall: 9366.82, 0.00290006/step, 1.42425 hours remaining, 211.609375 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: 3232000 750.3877 2085.8679 1959.2907 123.8008 -205992.0316 17741.2428 0.0000 0.0000 34347.0060 -148984.4357 299.9609 -183331.4417 -148893.6459 299.2867 -30.3206 6.6480 559228.3244 -11.5839 -11.4622 PRESSURE: 3232200 -137.613 76.3157 -100.281 76.315 -32.22 -219.773 -100.279 -219.774 -177.775 GPRESSURE: 3232200 -45.3606 -52.4587 -40.1119 148.948 -68.1474 -222.292 -84.6085 -226.028 -140.988 PRESSAVG: 3232200 31.8489 -23.4875 6.87986 -23.4876 24.0776 -55.0288 6.87983 -55.0288 -20.9419 GPRESSAVG: 3232200 31.929 -22.3465 7.35534 -24.4223 25.2486 -56.5162 4.88455 -53.4704 -22.1426 TIMING: 3232200 CPU: 9367.4, 0.00290903/step Wall: 9367.4, 0.00290903/step, 1.4285 hours remaining, 211.609375 MB of memory in use. ENERGY: 3232200 730.3887 2067.0865 1950.0041 124.6252 -205922.0478 17571.8912 0.0000 0.0000 34369.1557 -149108.8964 300.1544 -183478.0522 -149017.2747 300.5624 -115.8695 -84.8320 558970.5888 11.6615 11.6783 LDB: ============= START OF LOAD BALANCING ============== 9370.79 LDB: ============== END OF LOAD BALANCING =============== 9370.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9370.79 LDB: ============= START OF LOAD BALANCING ============== 9371.08 LDB: Largest compute 4772 load 0.023935 is 20.3% of average load 0.117936 LDB: Average compute 0.001726 is 1.5% of average load 0.117936 LDB: TIME 9371.08 LOAD: AVG 0.117936 MAX 0.178888 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.34 MB LDB: TIME 9371.08 LOAD: AVG 0.117936 MAX 0.178888 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.34 MB LDB: TIME 9371.08 LOAD: AVG 0.117936 MAX 0.178888 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.34 MB LDB: ============== END OF LOAD BALANCING =============== 9371.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9371.09 PRESSURE: 3232400 -112.558 27.7345 22.0413 27.734 -2.25635 10.8166 22.0428 10.8168 -99.2436 GPRESSURE: 3232400 -126.52 59.6716 -7.26621 20.9942 46.5797 13.2288 103.311 -51.3126 -39.6667 PRESSAVG: 3232400 -7.35551 -6.87207 -47.8275 -6.87214 44.1793 -27.3271 -47.8275 -27.3271 -43.776 GPRESSAVG: 3232400 -7.10427 -5.40429 -47.0179 -5.89627 43.0843 -25.5976 -47.0175 -28.5071 -43.7635 TIMING: 3232400 CPU: 9367.99, 0.00295085/step Wall: 9367.99, 0.00295085/step, 1.44887 hours remaining, 209.292969 MB of memory in use. ENERGY: 3232400 798.8372 2148.2578 1966.3005 114.2556 -206190.5470 17697.7939 0.0000 0.0000 34210.8112 -149254.2908 298.7715 -183465.1020 -149161.2500 299.1371 -71.3525 -39.8689 556696.2004 -2.3174 -2.5945 PRESSURE: 3232600 -122.229 -65.7774 -5.10861 -65.7777 36.2271 39.831 -5.109 39.8326 -215.62 GPRESSURE: 3232600 -125.375 -113.354 -47.7278 -49.3791 61.899 61.5964 -26.5295 -14.7823 -137.919 PRESSAVG: 3232600 29.6558 -5.28345 -78.5794 -5.28342 25.1624 -14.249 -78.5794 -14.2489 -8.22981 GPRESSAVG: 3232600 28.0394 -6.54813 -77.8017 -6.68204 26.599 -15.6727 -79.1253 -11.9147 -7.36306 TIMING: 3232600 CPU: 9368.58, 0.00291987/step Wall: 9368.58, 0.00291987/step, 1.43349 hours remaining, 209.292969 MB of memory in use. ENERGY: 3232600 774.1067 2071.1443 1990.0520 111.9830 -206130.6303 17808.1359 0.0000 0.0000 34205.1427 -149170.0657 298.7220 -183375.2084 -149082.6685 299.8037 -100.5404 -67.1316 559162.7913 15.5295 15.7584 PRESSURE: 3232800 -128.704 101.45 -240.249 101.451 -26.2336 -30.5927 -240.248 -30.5935 -211.404 GPRESSURE: 3232800 -54.3734 133.076 -156.038 105.744 -2.76989 -64.9054 -160.097 -14.3642 -197.226 PRESSAVG: 3232800 -16.6178 45.0504 10.3023 45.0505 50.2722 36.5626 10.3023 36.5626 -60.1625 GPRESSAVG: 3232800 -15.5199 46.6119 7.9238 44.4306 49.2165 34.4204 10.7677 37.0676 -60.4607 TIMING: 3232800 CPU: 9369.17, 0.00293812/step Wall: 9369.17, 0.00293812/step, 1.44229 hours remaining, 209.292969 MB of memory in use. ENERGY: 3232800 765.6893 2079.4857 1955.6933 124.1899 -206583.3434 17823.4641 0.0000 0.0000 34530.7733 -149304.0479 301.5658 -183834.8212 -149208.8609 299.4506 -122.1137 -84.7898 557778.7994 -8.8360 -8.9213 PRESSURE: 3233000 134.41 164.593 -87.5827 164.593 48.6642 130.697 -87.5826 130.698 50.3072 GPRESSURE: 3233000 123.699 146.27 -30.4961 176.578 115.724 -15.7889 -85.6482 150.118 93.8551 PRESSAVG: 3233000 30.8121 45.2601 -20.0835 45.2602 -19.2305 54.2451 -20.0834 54.2452 14.1919 GPRESSAVG: 3233000 30.3828 42.7304 -18.3061 46.0273 -19.133 54.7321 -19.9191 54.7058 14.4896 TIMING: 3233000 CPU: 9369.75, 0.002916/step Wall: 9369.75, 0.002916/step, 1.43127 hours remaining, 209.292969 MB of memory in use. ENERGY: 3233000 691.3621 2117.3562 1972.7332 107.2998 -205954.3478 17546.9420 0.0000 0.0000 34044.8087 -149473.8458 297.3218 -183518.6545 -149377.9720 298.6496 77.7939 111.0928 556991.7555 8.5912 8.5798 PRESSURE: 3233200 47.0267 -51.5465 -164.703 -51.5465 41.3878 -240.298 -164.704 -240.298 -101.447 GPRESSURE: 3233200 77.8898 -8.43195 -237.983 -16.6091 134.83 -166.82 -164.894 -229.944 -114.962 PRESSAVG: 3233200 13.1748 -40.336 9.16808 -40.336 16.1586 -15.1277 9.16808 -15.1277 -58.2325 GPRESSAVG: 3233200 12.6662 -40.4648 8.63103 -40.5619 16.1609 -13.0628 8.50414 -17.2271 -57.8855 TIMING: 3233200 CPU: 9370.34, 0.00294158/step Wall: 9370.34, 0.00294158/step, 1.44366 hours remaining, 209.292969 MB of memory in use. ENERGY: 3233200 750.3639 2075.8724 1981.1657 114.2130 -206573.2599 17971.1573 0.0000 0.0000 34190.6657 -149489.8218 298.5956 -183680.4875 -149393.9774 299.1267 -4.3442 32.5858 557991.3490 -9.6330 -9.6861 PRESSURE: 3233400 246.956 -169.072 52.8225 -169.072 257.302 93.1096 52.8233 93.1083 358.426 GPRESSURE: 3233400 264.931 -158.278 33.6479 -187.481 290.679 116.114 57.3804 80.3629 402.028 PRESSAVG: 3233400 17.9309 9.50688 12.3621 9.50685 -19.822 4.09097 12.362 4.09093 -18.5694 GPRESSAVG: 3233400 18.1504 10.1441 13.2073 9.32478 -19.767 4.88883 13.571 0.988571 -18.7176 TIMING: 3233400 CPU: 9370.92, 0.0029218/step Wall: 9370.92, 0.0029218/step, 1.43379 hours remaining, 209.292969 MB of memory in use. ENERGY: 3233400 783.4527 2163.2626 1951.4720 112.1426 -206863.7146 18149.1379 0.0000 0.0000 34304.1333 -149400.1134 299.5865 -183704.2467 -149301.8548 298.7023 287.5612 319.2127 555237.3901 -6.8202 -6.7781 PRESSURE: 3233600 13.6987 -154.933 155.579 -154.934 32.6241 38.1143 155.579 38.1132 -34.0454 GPRESSURE: 3233600 22.9791 -123.897 59.6867 -141.043 85.2439 70.8113 274.758 -36.0841 3.14862 PRESSAVG: 3233600 -63.8564 -85.373 28.5713 -85.373 -38.9005 31.7882 28.5714 31.7882 73.8231 GPRESSAVG: 3233600 -62.0637 -85.923 28.2551 -84.593 -39.8988 30.8314 26.2448 33.3792 73.0442 TIMING: 3233600 CPU: 9371.5, 0.00291531/step Wall: 9371.5, 0.00291531/step, 1.43044 hours remaining, 209.292969 MB of memory in use. ENERGY: 3233600 722.4745 2169.2419 1907.3815 112.5355 -206229.0129 17830.4300 0.0000 0.0000 34272.3636 -149214.5859 299.3091 -183486.9495 -149115.3495 298.8796 4.0925 37.1239 556869.7332 -9.6446 -9.6394 PRESSURE: 3233800 178.981 -183.738 -14.4241 -183.738 89.235 139.737 -14.4245 139.737 -164.441 GPRESSURE: 3233800 265.248 -193.046 -50.6336 -85.3594 126.408 126.107 4.50172 115.215 -183.728 PRESSAVG: 3233800 18.4964 -23.0663 -7.34145 -23.0663 20.6168 20.2044 -7.34158 20.2045 -42.8825 GPRESSAVG: 3233800 17.7496 -24.259 -7.75248 -22.9824 21.8405 21.3398 -7.59095 21.1407 -43.1093 TIMING: 3233800 CPU: 9372.09, 0.00294071/step Wall: 9372.09, 0.00294071/step, 1.44274 hours remaining, 209.292969 MB of memory in use. ENERGY: 3233800 744.4514 2089.7681 1972.6752 110.7776 -206461.7349 17936.2440 0.0000 0.0000 34462.2491 -149145.5695 300.9674 -183607.8186 -149047.3451 299.3852 34.5916 69.3096 558329.1061 -1.2565 -1.1731 PRESSURE: 3234000 -376.745 -140.932 125.526 -140.932 -60.8096 22.5951 125.526 22.5945 -51.5296 GPRESSURE: 3234000 -337.142 -141.43 113.787 -154.87 8.00289 51.8474 91.9621 15.2745 -65.3861 PRESSAVG: 3234000 -61.193 6.94078 -11.939 6.94069 36.9376 -35.9103 -11.9389 -35.9102 0.540904 GPRESSAVG: 3234000 -61.0798 9.26443 -12.9408 5.87885 36.1942 -36.24 -12.6351 -36.4031 1.39525 TIMING: 3234000 CPU: 9372.68, 0.00291599/step Wall: 9372.68, 0.00291599/step, 1.43045 hours remaining, 209.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3234000 770.9926 2118.5684 1945.8792 120.0251 -206176.2653 17714.2831 0.0000 0.0000 34409.3233 -149097.1936 300.5052 -183506.5169 -148996.1886 299.6623 -163.0280 -131.5083 556694.3011 -7.9049 -7.8301 PRESSURE: 3234200 129.328 -9.05656 -101.034 -9.05687 -13.5288 -19.5253 -101.035 -19.5253 122.592 GPRESSURE: 3234200 127.506 -15.506 -83.224 54.5118 56.7689 5.83047 -92.108 -10.8668 134.691 PRESSAVG: 3234200 -36.1361 -51.3118 27.0672 -51.3119 12.9721 4.99747 27.0672 4.99751 -11.533 GPRESSAVG: 3234200 -36.1763 -51.3066 29.2342 -52.0314 12.0304 5.54815 27.8 4.06561 -10.9706 TIMING: 3234200 CPU: 9373.25, 0.00288299/step Wall: 9373.25, 0.00288299/step, 1.4141 hours remaining, 209.292969 MB of memory in use. ENERGY: 3234200 764.8083 2114.9349 1955.4024 120.7142 -206390.7618 17804.4112 0.0000 0.0000 34511.8974 -149118.5934 301.4010 -183630.4908 -149025.3701 300.1091 79.4637 106.3218 554114.4020 -11.5657 -11.7055 PRESSURE: 3234400 285.766 75.6147 60.2345 75.6151 69.8695 -64.1946 60.2357 -64.1952 20.7749 GPRESSURE: 3234400 277.202 21.2504 162.668 151.968 114.394 -93.1338 29.4295 -38.2383 94.2205 PRESSAVG: 3234400 -8.85204 25.5982 20.3334 25.5981 40.3983 5.35402 20.3334 5.3538 -45.0333 GPRESSAVG: 3234400 -10.2614 23.4814 19.8441 26.2391 41.986 3.09571 21.2937 8.05325 -45.2882 TIMING: 3234400 CPU: 9373.83, 0.00291211/step Wall: 9373.83, 0.00291211/step, 1.42823 hours remaining, 209.292969 MB of memory in use. ENERGY: 3234400 707.5603 2083.6554 1944.6683 118.1193 -206193.9542 18003.8293 0.0000 0.0000 34273.1546 -149062.9669 299.3160 -183336.1216 -148956.7162 300.0222 125.4701 161.9386 557321.3806 -4.4957 -4.5212 PRESSURE: 3234600 101.499 148.102 -12.5372 148.103 -72.4127 84.1268 -12.5377 84.1271 -184.607 GPRESSURE: 3234600 148.787 46.6587 -22.6498 167.13 -61.6316 88.26 -28.3395 96.0767 -134.6 PRESSAVG: 3234600 46.7761 -19.9284 1.21124 -19.9283 47.9563 24.2608 1.21123 24.2609 -84.1031 GPRESSAVG: 3234600 47.0193 -18.5797 2.17589 -19.6757 46.9134 26.698 -0.0304711 22.7884 -82.8224 TIMING: 3234600 CPU: 9374.41, 0.0028839/step Wall: 9374.41, 0.0028839/step, 1.41423 hours remaining, 209.292969 MB of memory in use. ENERGY: 3234600 725.0623 2105.5586 1938.7082 120.6581 -205698.7834 17526.0493 0.0000 0.0000 34023.2212 -149259.5257 297.1333 -183282.7469 -149159.8859 299.6614 -51.8404 -15.8147 555945.4321 3.5431 3.7034 PRESSURE: 3234800 216.697 193.292 -69.5431 193.29 -91.6965 -172.303 -69.5428 -172.303 -234.072 GPRESSURE: 3234800 186.999 167.778 -20.9447 169.159 36.8514 -130.395 -179.991 -29.0247 -235.626 PRESSAVG: 3234800 40.9649 -5.10351 -21.8454 -5.1036 53.0054 -15.7745 -21.8454 -15.7744 -108.657 GPRESSAVG: 3234800 41.4111 -4.02717 -22.7431 -5.1042 53.2712 -17.837 -21.2182 -15.9019 -110.303 TIMING: 3234800 CPU: 9374.99, 0.00289347/step Wall: 9374.99, 0.00289347/step, 1.41877 hours remaining, 209.292969 MB of memory in use. ENERGY: 3234800 731.4401 2159.9894 1947.5636 116.7034 -206299.7098 17778.2877 0.0000 0.0000 34323.6866 -149242.0389 299.7573 -183565.7255 -149137.8273 299.2395 -36.3571 -3.9252 556697.8042 -4.8954 -5.2069 PRESSURE: 3235000 -295.584 126.113 20.6832 126.112 -278.894 -42.8383 20.6837 -42.8376 -84.3191 GPRESSURE: 3235000 -301.355 82.3208 -24.488 191.85 -236.096 -1.62474 28.5367 -83.1904 -24.7451 PRESSAVG: 3235000 11.0317 -33.1592 6.40697 -33.1592 69.059 -24.7584 6.40699 -24.7582 -80.066 GPRESSAVG: 3235000 11.3639 -35.2448 7.17431 -32.6323 67.713 -23.703 4.44214 -25.3043 -79.036 TIMING: 3235000 CPU: 9375.57, 0.00288804/step Wall: 9375.57, 0.00288804/step, 1.41594 hours remaining, 209.292969 MB of memory in use. ENERGY: 3235000 769.1504 2086.1874 1989.5142 122.7664 -205871.9860 17498.0524 0.0000 0.0000 34021.0558 -149385.2594 297.1143 -183406.3152 -149280.1753 299.3706 -219.5988 -187.3985 557050.3936 0.0082 0.0137 PRESSURE: 3235200 -69.1096 -109.574 -78.3048 -109.575 -25.4019 50.7934 -78.3044 50.7947 74.7592 GPRESSURE: 3235200 -63.849 -144.798 -112.995 -100.845 15.7714 22.806 -39.0025 72.896 120.882 PRESSAVG: 3235200 -43.9755 60.3386 -29.4532 60.3385 5.67677 -31.0578 -29.4533 -31.058 80.689 GPRESSAVG: 3235200 -43.619 61.5417 -30.3148 59.9917 7.13604 -32.2755 -30.7012 -31.9765 78.7399 TIMING: 3235200 CPU: 9376.14, 0.00288092/step Wall: 9376.14, 0.00288093/step, 1.41229 hours remaining, 209.292969 MB of memory in use. ENERGY: 3235200 745.7902 2138.4392 1950.7717 103.5544 -206186.5985 17610.4439 0.0000 0.0000 34367.9629 -149269.6362 300.1440 -183637.5991 -149166.5668 299.2406 -6.5841 24.2682 556287.9221 14.1301 14.0856 PRESSURE: 3235400 -48.0848 10.735 53.127 10.734 121.689 -149.394 53.1269 -149.394 51.0577 GPRESSURE: 3235400 12.7402 8.62526 37.4761 56.1428 162.777 -160.178 95.4654 -90.1151 49.2446 PRESSAVG: 3235400 -45.5774 18.4566 42.2059 18.4566 36.055 22.5772 42.2059 22.5772 -33.8394 GPRESSAVG: 3235400 -45.5531 19.3307 40.2123 17.9673 34.7287 23.1382 43.4869 23.882 -31.7934 TIMING: 3235400 CPU: 9376.72, 0.00288957/step Wall: 9376.72, 0.00288957/step, 1.41637 hours remaining, 209.292969 MB of memory in use. ENERGY: 3235400 747.4405 2084.3280 1938.1767 115.6786 -206666.8517 18041.2435 0.0000 0.0000 34212.8338 -149527.1505 298.7892 -183739.9843 -149434.8034 298.5893 41.5540 74.9207 556731.5013 -14.4540 -14.2059 PRESSURE: 3235600 229.917 142.562 98.2813 142.564 123.769 119.143 98.2813 119.143 350.114 GPRESSURE: 3235600 329.354 176.999 21.5428 110.404 127.577 172.723 96.7975 29.141 350.417 PRESSAVG: 3235600 -13.3413 31.7077 11.859 31.7077 54.0781 8.04692 11.859 8.04681 -53.4513 GPRESSAVG: 3235600 -14.2872 32.2941 14.9337 33.1654 54.8346 9.72644 10.9504 6.03634 -53.0121 TIMING: 3235600 CPU: 9377.3, 0.00289253/step Wall: 9377.3, 0.00289253/step, 1.41766 hours remaining, 209.292969 MB of memory in use. ENERGY: 3235600 736.8798 2108.8039 1960.3882 121.6745 -207053.5779 18282.8089 0.0000 0.0000 34192.1377 -149650.8850 298.6084 -183843.0227 -149553.9743 298.1065 234.6000 269.1160 556445.5033 -4.2382 -4.1549 PRESSURE: 3235800 60.4278 96.4044 124.509 96.404 -72.2656 -40.3222 124.508 -40.3224 23.7421 GPRESSURE: 3235800 36.7354 94.5731 197.59 121.987 22.4105 -8.44782 190.751 -87.2019 62.6168 PRESSAVG: 3235800 8.9806 20.1732 39.5944 20.1732 -15.0976 38.6445 39.5945 38.6445 -14.7436 GPRESSAVG: 3235800 10.1807 20.1361 40.4406 19.9139 -16.1295 39.8834 39.3233 38.5535 -15.4434 TIMING: 3235800 CPU: 9377.88, 0.00288743/step Wall: 9377.88, 0.00288743/step, 1.415 hours remaining, 209.292969 MB of memory in use. ENERGY: 3235800 771.5283 2075.2363 1959.9224 131.0891 -206810.6494 17891.6865 0.0000 0.0000 34316.0307 -149665.1561 299.6904 -183981.1868 -149565.6958 297.8717 3.9681 40.5876 556884.1345 -6.9535 -7.1307 PRESSURE: 3236000 55.5485 4.33258 -80.4144 4.33311 -68.6947 -38.2273 -80.4141 -38.2278 171.181 GPRESSURE: 3236000 108.803 -2.82371 -84.5868 52.6483 -16.6227 -34.7836 -9.19815 -63.1028 153.368 PRESSAVG: 3236000 -0.117201 -47.2739 -5.60087 -47.2739 17.6313 22.7023 -5.60094 22.7024 -33.8301 GPRESSAVG: 3236000 -0.327839 -48.0164 -8.25864 -48.0319 18.1544 22.6668 -3.18878 24.3247 -34.1496 TIMING: 3236000 CPU: 9378.46, 0.0029222/step Wall: 9378.46, 0.0029222/step, 1.43188 hours remaining, 209.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3236000 737.8518 2099.4601 1967.0345 111.7410 -206426.9609 17797.8468 0.0000 0.0000 34098.6158 -149614.4107 297.7917 -183713.0265 -149520.1607 298.1889 52.6782 81.8494 556252.5507 -5.4387 -5.4410 PRESSURE: 3236200 -14.8268 -36.8868 218.853 -36.8868 -59.7432 131.72 218.852 131.72 -70.5821 GPRESSURE: 3236200 -0.168703 -90.9217 230.129 -97.3844 -16.3725 164.916 288.154 114.244 -25.0779 PRESSAVG: 3236200 -6.70762 11.1531 -59.2113 11.1531 12.3172 33.6277 -59.2113 33.6277 12.7685 GPRESSAVG: 3236200 -6.28659 8.42579 -58.7942 13.0665 11.4964 33.2816 -58.5926 31.9322 13.1845 TIMING: 3236200 CPU: 9379.04, 0.00290372/step Wall: 9379.04, 0.00290372/step, 1.42266 hours remaining, 209.496094 MB of memory in use. ENERGY: 3236200 703.8504 2076.1880 1945.2200 118.3592 -206287.7410 17765.2342 0.0000 0.0000 34133.7214 -149545.1679 298.0983 -183678.8893 -149448.1502 298.0383 -48.3840 -13.8730 557659.0711 6.1260 6.1314 LDB: ============= START OF LOAD BALANCING ============== 9382.43 LDB: ============== END OF LOAD BALANCING =============== 9382.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9382.43 LDB: ============= START OF LOAD BALANCING ============== 9382.73 LDB: Largest compute 4772 load 0.023985 is 20.4% of average load 0.117859 LDB: Average compute 0.001725 is 1.5% of average load 0.117859 LDB: TIME 9382.73 LOAD: AVG 0.117859 MAX 0.179274 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.031 MB LDB: TIME 9382.73 LOAD: AVG 0.117859 MAX 0.179274 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.031 MB LDB: TIME 9382.73 LOAD: AVG 0.117859 MAX 0.179274 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.031 MB LDB: ============== END OF LOAD BALANCING =============== 9382.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9382.73 PRESSURE: 3236400 117.094 -45.7659 -53.8731 -45.7651 -65.8944 7.97946 -53.8743 7.97932 179.323 GPRESSURE: 3236400 140.928 -21.6414 16.5507 -28.5777 -52.2949 -51.1917 -49.1968 56.2667 242.122 PRESSAVG: 3236400 50.4098 -56.4069 -18.4441 -56.407 -6.03536 2.08193 -18.4441 2.08198 -48.0646 GPRESSAVG: 3236400 48.9757 -54.1691 -17.5582 -58.6961 -5.82478 -1.83983 -20.4727 4.92882 -46.7969 TIMING: 3236400 CPU: 9379.64, 0.00297877/step Wall: 9379.64, 0.00297877/step, 1.45927 hours remaining, 211.093750 MB of memory in use. ENERGY: 3236400 696.0325 2105.8114 1938.1066 112.2063 -206921.4800 18154.1640 0.0000 0.0000 34304.2965 -149610.8627 299.5880 -183915.1591 -149510.3380 297.6985 76.8409 110.2519 556862.0585 -1.2301 -1.2153 PRESSURE: 3236600 -197.392 115.515 -165.53 115.514 -129.545 -219.753 -165.529 -219.753 8.94731 GPRESSURE: 3236600 -120.591 111.971 -140.255 117.091 -119.823 -199.736 -161.371 -143.069 30.1295 PRESSAVG: 3236600 -42.458 44.6955 -37.1335 44.6956 16.3982 48.1923 -37.1335 48.1922 -3.45657 GPRESSAVG: 3236600 -40.4729 43.7657 -38.0656 46.3612 15.9814 48.9258 -37.0382 47.1861 -4.54406 TIMING: 3236600 CPU: 9380.22, 0.00290545/step Wall: 9380.22, 0.00290545/step, 1.42318 hours remaining, 211.234375 MB of memory in use. ENERGY: 3236600 709.2802 2102.7800 1933.4877 109.2657 -206395.0985 17719.5237 0.0000 0.0000 34161.9047 -149658.8564 298.3444 -183820.7611 -149558.0343 297.9055 -105.9964 -70.0949 558171.2848 -9.8388 -9.6785 PRESSURE: 3236800 93.8358 -126.545 -9.08344 -126.545 41.4595 -0.0683837 -9.08443 -0.0673049 298.032 GPRESSURE: 3236800 94.7266 3.00485 47.8479 -148.726 102.363 13.6734 -38.7282 15.1178 339.653 PRESSAVG: 3236800 -109.348 -10.7876 4.80237 -10.7876 6.08502 11.6131 4.80239 11.6131 92.898 GPRESSAVG: 3236800 -110.978 -8.54868 4.65118 -12.2969 7.57706 12.705 5.36317 13.1476 92.8577 TIMING: 3236800 CPU: 9380.81, 0.00293191/step Wall: 9380.81, 0.00293191/step, 1.43598 hours remaining, 211.234375 MB of memory in use. ENERGY: 3236800 701.5193 2108.4506 1949.1235 113.1711 -206463.9130 18073.3519 0.0000 0.0000 33914.8431 -149603.4535 296.1868 -183518.2965 -149509.7238 297.6352 144.4423 178.9142 556715.6202 -3.4551 -3.5144 PRESSURE: 3237000 -151.919 37.8838 12.0048 37.883 -94.8712 -148.255 12.006 -148.255 -144.656 GPRESSURE: 3237000 -108.865 -4.38896 7.97773 44.956 -82.3884 -143.951 39.6947 -185.216 -101.863 PRESSAVG: 3237000 -49.5033 22.2245 -3.47186 22.2245 -82.9716 -2.45111 -3.47173 -2.45099 96.4612 GPRESSAVG: 3237000 -49.3482 21.6274 -3.75879 23.8825 -82.6277 -3.26186 -2.30492 -4.63166 96.3946 TIMING: 3237000 CPU: 9381.39, 0.00292172/step Wall: 9381.39, 0.00292172/step, 1.43083 hours remaining, 211.234375 MB of memory in use. ENERGY: 3237000 749.1261 2166.8642 1961.1019 104.8622 -206526.3446 17756.3567 0.0000 0.0000 34055.0070 -149733.0266 297.4108 -183788.0336 -149640.3284 298.2469 -130.4818 -97.7057 557301.2752 -12.0046 -11.8604 PRESSURE: 3237200 -242.953 -117.477 -102.029 -117.477 47.8438 23.249 -102.03 23.2487 -250.059 GPRESSURE: 3237200 -189.792 -127.867 -170.231 -97.6169 85.6309 13.1137 -0.503174 22.8128 -235.366 PRESSAVG: 3237200 -43.4486 -22.7392 15.5925 -22.7391 44.9048 -8.97618 15.5926 -8.9762 14.3662 GPRESSAVG: 3237200 -42.6065 -21.9843 15.4303 -25.4236 44.1119 -7.69789 16.3573 -8.9294 14.345 TIMING: 3237200 CPU: 9381.98, 0.00293471/step Wall: 9381.98, 0.00293471/step, 1.43703 hours remaining, 211.234375 MB of memory in use. ENERGY: 3237200 742.3853 2072.5057 1956.6600 109.7225 -206275.9452 17571.1435 0.0000 0.0000 34115.1961 -149708.3323 297.9365 -183823.5283 -149611.7759 298.3739 -148.3895 -113.1754 557609.8538 5.2741 5.2835 PRESSURE: 3237400 147.606 31.5763 -70.2208 31.5751 -162.671 -37.6244 -70.2206 -37.6259 -101.049 GPRESSURE: 3237400 187.431 20.4276 17.1722 -6.43587 -154.033 -81.2366 -217.882 -34.2843 -64.4118 PRESSAVG: 3237400 -14.1321 -18.724 -41.7077 -18.724 11.5596 -33.813 -41.7077 -33.8131 -17.1368 GPRESSAVG: 3237400 -15.017 -20.3005 -41.4242 -16.7881 10.176 -32.7074 -43.9944 -34.8657 -15.6228 TIMING: 3237400 CPU: 9382.56, 0.00291943/step Wall: 9382.56, 0.00291943/step, 1.42938 hours remaining, 211.234375 MB of memory in use. ENERGY: 3237400 696.1506 2099.2611 1938.3783 109.7250 -206579.9324 17802.8942 0.0000 0.0000 34025.6267 -149907.8966 297.1543 -183933.5232 -149813.6041 297.4350 -38.7045 -10.3381 556164.3481 -6.5698 -6.8213 PRESSURE: 3237600 -25.0685 6.76549 -24.6141 6.765 -11.5315 -73.6898 -24.6147 -73.6881 -174.992 GPRESSURE: 3237600 18.1004 25.2484 -26.2027 -3.4999 -21.4367 -57.3367 44.3098 -22.581 -106.553 PRESSAVG: 3237600 50.7857 24.2224 -21.8662 24.2224 -41.0872 1.078 -21.8662 1.0781 -41.121 GPRESSAVG: 3237600 51.9266 24.4909 -19.4286 24.1695 -40.2611 0.995314 -22.8364 2.47093 -42.9115 TIMING: 3237600 CPU: 9383.14, 0.00291471/step Wall: 9383.14, 0.00291471/step, 1.42691 hours remaining, 211.285156 MB of memory in use. ENERGY: 3237600 750.8670 2119.8195 1956.7668 114.0890 -206890.3027 17878.5511 0.0000 0.0000 34025.7316 -150044.4777 297.1552 -184070.2093 -149953.4374 296.9002 -70.5305 -36.6297 555974.0973 -10.4742 -10.4153 PRESSURE: 3237800 10.4765 -25.9733 106.537 -25.9735 -44.0437 126.636 106.537 126.636 39.4303 GPRESSURE: 3237800 36.6859 9.82676 57.056 -58.359 -9.50865 130.799 100.894 177.443 82.1402 PRESSAVG: 3237800 -16.9591 15.3238 11.4145 15.3238 -6.23017 -0.344311 11.4146 -0.344432 49.8461 GPRESSAVG: 3237800 -17.528 16.7209 11.0395 13.0248 -5.39463 0.644656 12.3773 -0.899442 49.6149 TIMING: 3237800 CPU: 9383.72, 0.00289681/step Wall: 9383.72, 0.00289681/step, 1.41799 hours remaining, 211.285156 MB of memory in use. ENERGY: 3237800 757.9763 2082.2286 1964.9909 125.7604 -206620.7962 17907.3856 0.0000 0.0000 33824.6577 -149957.7967 295.3991 -183782.4545 -149862.9423 296.6057 1.9544 36.4392 555929.4740 8.8856 8.8974 PRESSURE: 3238000 60.8848 -86.3706 -18.9384 -86.3695 -1.13185 -99.0468 -18.9376 -99.0473 -302.095 GPRESSURE: 3238000 109.657 0.879201 -66.5413 -105.655 -39.2844 -114.704 -55.7398 -32.7946 -217.732 PRESSAVG: 3238000 8.44182 -44.564 -8.74044 -44.564 10.4349 -7.33717 -8.74044 -7.33716 -42.3133 GPRESSAVG: 3238000 7.9352 -45.2674 -9.14747 -44.0377 10.701 -10.0499 -9.17165 -4.7268 -41.9373 TIMING: 3238000 CPU: 9384.3, 0.00290634/step Wall: 9384.3, 0.00290634/step, 1.42249 hours remaining, 211.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3238000 743.0962 2139.9992 1944.5248 113.5265 -206497.2943 17704.6741 0.0000 0.0000 33966.1779 -149885.2955 296.6351 -183851.4734 -149792.3358 296.9135 -80.7805 -49.1198 557620.2020 -7.8122 -7.7670 PRESSURE: 3238200 207.619 -53.8441 -20.5239 -53.8441 206.146 -22.5767 -20.5249 -22.5761 93.6021 GPRESSURE: 3238200 250.284 -58.0506 -2.18802 -3.25625 217.631 -16.557 -30.1496 -35.9164 125.614 PRESSAVG: 3238200 42.1961 -20.5933 -29.3721 -20.5932 -47.2901 9.55193 -29.3721 9.55192 -1.19928 GPRESSAVG: 3238200 43.6258 -19.7221 -30.8497 -20.6423 -49.3438 11.8561 -29.5202 7.93244 -0.731376 TIMING: 3238200 CPU: 9384.89, 0.00290511/step Wall: 9384.89, 0.00290511/step, 1.42173 hours remaining, 211.285156 MB of memory in use. ENERGY: 3238200 729.6047 2117.0811 1957.5991 110.9134 -207181.2167 18248.1254 0.0000 0.0000 34086.2331 -149931.6598 297.6836 -184017.8930 -149833.0944 297.6972 169.1225 197.8427 556676.8818 -2.0978 -2.1498 PRESSURE: 3238400 189.712 -115.005 -20.0457 -115.005 46.4442 -129.38 -20.047 -129.379 129.367 GPRESSURE: 3238400 231.35 -84.3779 -52.7161 -100.725 63.6458 -210.873 -27.8847 -143.95 181.94 PRESSAVG: 3238400 -4.47833 -9.20682 -10.6563 -9.20677 27.6797 41.8015 -10.6563 41.8015 -18.6742 GPRESSAVG: 3238400 -5.10973 -7.62486 -8.85032 -8.17386 28.4568 41.6079 -8.99334 39.7147 -18.6899 TIMING: 3238400 CPU: 9385.46, 0.00288723/step Wall: 9385.46, 0.00288723/step, 1.41282 hours remaining, 211.285156 MB of memory in use. ENERGY: 3238400 717.6882 2095.9696 1939.1673 119.8552 -207010.3035 18060.1308 0.0000 0.0000 34124.2795 -149953.2128 298.0158 -184077.4923 -149858.4486 296.8696 121.8409 158.9786 555441.7629 1.5090 1.5524 PRESSURE: 3238600 59.2262 -55.3067 -116.354 -55.3067 -23.6409 -14.4375 -116.354 -14.4372 -198.355 GPRESSURE: 3238600 136.749 -52.7541 -129.173 -75.9462 23.2433 109.354 -92.5215 -25.7934 -223.472 PRESSAVG: 3238600 -9.08271 -41.9449 -62.7671 -41.9449 34.9211 21.6114 -62.7671 21.6114 17.922 GPRESSAVG: 3238600 -8.45665 -44.5522 -63.5825 -41.92 35.4279 21.5428 -62.6814 24.3907 16.9341 TIMING: 3238600 CPU: 9386.04, 0.00289421/step Wall: 9386.04, 0.00289421/step, 1.41607 hours remaining, 211.285156 MB of memory in use. ENERGY: 3238600 797.7000 2095.9628 1954.4717 113.1765 -206400.0253 17924.4335 0.0000 0.0000 33947.3327 -149566.9481 296.4705 -183514.2807 -149478.8549 297.7554 -54.2565 -21.1600 557636.6185 14.5868 14.6351 PRESSURE: 3238800 -38.9779 96.603 142.829 96.6033 -28.9862 -5.37054 142.828 -5.3698 86.6653 GPRESSURE: 3238800 -20.9011 161.535 135.593 65.962 -1.02504 25.9195 117.222 -56.8227 142.483 PRESSAVG: 3238800 -29.28 -21.0549 -11.5876 -21.0549 -14.7295 -12.5021 -11.5876 -12.5021 44.4771 GPRESSAVG: 3238800 -29.3186 -19.6601 -11.6265 -20.6351 -15.2506 -11.5777 -15.4635 -14.1209 45.1669 TIMING: 3238800 CPU: 9386.62, 0.00289343/step Wall: 9386.62, 0.00289343/step, 1.41553 hours remaining, 211.285156 MB of memory in use. ENERGY: 3238800 712.3614 2093.9256 1959.4816 120.9570 -206598.4220 17873.3362 0.0000 0.0000 34355.5822 -149482.7780 300.0358 -183838.3602 -149378.8716 298.1078 6.2337 40.1855 557109.4072 0.1559 0.1992 PRESSURE: 3239000 27.0975 67.6768 -104.526 67.6775 -387.492 135.112 -104.525 135.112 95.6571 GPRESSURE: 3239000 20.9034 10.6534 -42.2907 109.854 -346.644 145.35 -122.914 67.9716 153.207 PRESSAVG: 3239000 -8.94291 15.9118 -12.6745 15.9118 -69.616 -22.3837 -12.6746 -22.3836 21.6457 GPRESSAVG: 3239000 -10.3428 14.9792 -13.1923 15.2714 -68.4958 -23.3131 -9.72042 -22.0414 22.1016 TIMING: 3239000 CPU: 9387.2, 0.00290858/step Wall: 9387.2, 0.00290858/step, 1.42278 hours remaining, 211.285156 MB of memory in use. ENERGY: 3239000 750.6635 2041.8385 1958.5233 106.4974 -205841.6214 17474.4435 0.0000 0.0000 34208.6332 -149301.0220 298.7525 -183509.6552 -149205.4540 298.8801 -88.2458 -57.5113 557007.2885 -18.9710 -18.9123 PRESSURE: 3239200 306.006 -63.9123 -147.581 -63.9119 348.714 -224.899 -147.581 -224.9 171.869 GPRESSURE: 3239200 303.996 -18.7718 -119.616 -152.433 415.561 -195.152 -129.459 -273.375 195.654 PRESSAVG: 3239200 1.24231 -19.7993 -20.572 -19.7992 -45.1001 -36.2719 -20.572 -36.2719 88.8254 GPRESSAVG: 3239200 1.4935 -18.833 -20.6546 -18.9659 -46.2053 -33.8015 -19.705 -37.1797 90.1797 TIMING: 3239200 CPU: 9387.78, 0.00290488/step Wall: 9387.78, 0.00290488/step, 1.42081 hours remaining, 211.285156 MB of memory in use. ENERGY: 3239200 708.3520 2117.9996 1965.0426 108.4248 -206484.6413 17965.4229 0.0000 0.0000 34343.8112 -149275.5883 299.9330 -183619.3995 -149182.5150 298.9598 275.5298 305.0705 556282.2624 14.9892 15.1560 PRESSURE: 3239400 -199.922 120.943 -11.0707 120.942 -4.36725 36.403 -11.0694 36.4028 -289.96 GPRESSURE: 3239400 -184.322 120.241 -36.8671 81.8832 -21.1331 52.6571 13.9187 -21.5512 -198.072 PRESSAVG: 3239400 -29.0693 10.2472 -69.4097 10.2473 46.6558 -30.1437 -69.4097 -30.1437 2.11558 GPRESSAVG: 3239400 -26.6395 9.49898 -68.9479 9.6583 46.9968 -31.2359 -69.3907 -28.3987 -0.613354 TIMING: 3239400 CPU: 9388.36, 0.00288289/step Wall: 9388.36, 0.00288289/step, 1.40989 hours remaining, 211.285156 MB of memory in use. ENERGY: 3239400 795.5201 2044.4487 1934.6626 119.5517 -206163.3120 17728.8978 0.0000 0.0000 34278.8142 -149261.4168 299.3654 -183540.2310 -149171.5040 299.3839 -164.7497 -134.5091 557941.5301 6.5674 6.5813 PRESSURE: 3239600 -161.098 54.6454 -68.5663 54.6456 -121.1 147.677 -68.5673 147.676 -106.045 GPRESSURE: 3239600 -155.165 -58.815 -18.7171 -12.3456 -78.4546 124.958 -6.967 114.656 -57.8652 PRESSAVG: 3239600 44.6991 -2.70605 44.4526 -2.70606 -25.9681 -4.5744 44.4527 -4.57429 21.0182 GPRESSAVG: 3239600 42.2919 -4.12248 42.9273 -4.67629 -24.6671 -5.5303 45.2764 -4.31824 22.0627 TIMING: 3239600 CPU: 9388.94, 0.00289618/step Wall: 9388.94, 0.00289618/step, 1.41623 hours remaining, 211.484375 MB of memory in use. ENERGY: 3239600 725.7553 2075.9604 1978.1166 115.2487 -206014.5938 17700.8471 0.0000 0.0000 34243.1196 -149175.5461 299.0537 -183418.6657 -149074.9352 298.6004 -129.4142 -97.1616 558246.2808 13.2497 13.2291 PRESSURE: 3239800 -84.4729 30.2182 -0.543645 30.2182 -187.616 222.989 -0.542914 222.988 -116.304 GPRESSURE: 3239800 -94.2545 54.5583 -27.7953 -46.4716 -112.606 225.121 96.5994 247.107 -84.8211 PRESSAVG: 3239800 -19.9745 -34.5682 15.5972 -34.5682 -64.8927 -2.23495 15.5972 -2.23496 46.7634 GPRESSAVG: 3239800 -18.509 -33.0918 17.9884 -32.0519 -66.1632 -1.5081 13.8468 -2.62274 47.0868 TIMING: 3239800 CPU: 9389.52, 0.00289222/step Wall: 9389.52, 0.00289222/step, 1.41414 hours remaining, 211.484375 MB of memory in use. ENERGY: 3239800 784.1191 2083.6911 1972.4248 116.1331 -205806.0229 17693.0047 0.0000 0.0000 34136.4777 -149020.1725 298.1223 -183156.6502 -148918.9076 299.3779 -129.4645 -97.2270 558647.4218 -12.7013 -12.5285 PRESSURE: 3240000 4.71741 81.4594 -94.453 81.4588 -46.6338 -2.28349 -94.4531 -2.28135 -145.323 GPRESSURE: 3240000 70.6058 79.1976 -174.304 77.6765 -47.9253 -12.5265 -58.158 -46.7573 -115.424 PRESSAVG: 3240000 -12.4987 -14.6974 22.1303 -14.6975 -18.6251 90.7043 22.1303 90.7042 -5.98556 GPRESSAVG: 3240000 -12.0043 -15.5888 18.4009 -13.3767 -17.6075 89.1765 24.2596 91.9676 -6.98063 TIMING: 3240000 CPU: 9390.1, 0.0028987/step Wall: 9390.1, 0.0028987/step, 1.41714 hours remaining, 211.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3240000 734.1859 2172.1491 1955.3445 128.9466 -206336.3141 17817.4553 0.0000 0.0000 34418.6512 -149109.5816 300.5866 -183528.2328 -149016.2563 300.1796 -62.4130 -30.9144 558126.0166 -12.3698 -12.1975 PRESSURE: 3240200 -452.519 42.5153 93.9773 42.5169 -147.762 -151.468 93.9777 -151.467 -196.168 GPRESSURE: 3240200 -420.835 41.228 67.3337 17.7432 -174.465 -235.472 85.6866 -115.434 -99.5891 PRESSAVG: 3240200 32.5433 30.514 22.9355 30.514 -39.4862 -3.88878 22.9355 -3.8887 22.27 GPRESSAVG: 3240200 31.5679 30.8849 26.8066 29.1152 -39.5064 -1.8654 20.1544 -5.92803 23.3517 TIMING: 3240200 CPU: 9390.68, 0.00289996/step Wall: 9390.68, 0.00289996/step, 1.4176 hours remaining, 211.484375 MB of memory in use. ENERGY: 3240200 778.3439 2094.5797 1954.4999 109.1455 -205747.0081 17449.1158 0.0000 0.0000 34290.7768 -149070.5467 299.4699 -183361.3234 -148978.9138 299.6557 -265.4829 -231.6295 558054.8578 5.1090 5.1377 LDB: ============= START OF LOAD BALANCING ============== 9394.06 LDB: ============== END OF LOAD BALANCING =============== 9394.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9394.06 LDB: ============= START OF LOAD BALANCING ============== 9394.36 LDB: Largest compute 4772 load 0.022965 is 19.5% of average load 0.117988 LDB: Average compute 0.001728 is 1.5% of average load 0.117988 LDB: TIME 9394.36 LOAD: AVG 0.117988 MAX 0.179353 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.855 MB LDB: TIME 9394.36 LOAD: AVG 0.117988 MAX 0.179353 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: TIME 9394.36 LOAD: AVG 0.117988 MAX 0.179353 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.098 MB LDB: ============== END OF LOAD BALANCING =============== 9394.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9394.36 PRESSURE: 3240400 106.931 14.0072 7.00311 14.0082 392.178 92.3833 7.00305 92.384 186.744 GPRESSURE: 3240400 140.156 -68.4687 41.9646 30.3234 441.307 -30.3036 113.451 96.0867 188.086 PRESSAVG: 3240400 -12.1871 -56.81 -8.33108 -56.8101 25.0912 -20.9179 -8.33123 -20.9179 -22.1036 GPRESSAVG: 3240400 -12.0511 -57.2053 -9.82232 -56.9302 24.9207 -23.3604 -6.67437 -18.3268 -21.7478 TIMING: 3240400 CPU: 9391.27, 0.0029559/step Wall: 9391.27, 0.0029559/step, 1.44478 hours remaining, 211.136719 MB of memory in use. ENERGY: 3240400 738.0350 2106.1071 1944.6661 108.8141 -206362.7679 18148.0731 0.0000 0.0000 34420.5050 -148896.5676 300.6028 -183317.0726 -148790.1498 299.8449 228.6175 256.5164 557441.0679 -3.0665 -2.9594 PRESSURE: 3240600 -85.9609 28.543 -62.7612 28.5436 83.7426 -138.658 -62.7611 -138.659 -23.0676 GPRESSURE: 3240600 -83.6638 -53.4979 33.9171 35.5246 148.133 -99.0708 -80.7248 -145.772 18.4659 PRESSAVG: 3240600 -23.873 -8.99345 -12.2859 -8.99334 47.6353 -80.7585 -12.2859 -80.7585 -21.0071 GPRESSAVG: 3240600 -23.4855 -7.79962 -10.8979 -10.2472 47.3776 -77.8802 -13.9715 -82.6401 -20.6134 TIMING: 3240600 CPU: 9391.85, 0.00290561/step Wall: 9391.85, 0.00290561/step, 1.42004 hours remaining, 211.636719 MB of memory in use. ENERGY: 3240600 729.0142 2081.2890 1994.8888 120.0046 -205813.1694 17716.7498 0.0000 0.0000 34361.9634 -148809.2596 300.0916 -183171.2231 -148708.4596 300.0689 -8.4286 27.6449 558324.6907 0.9184 1.0929 PRESSURE: 3240800 83.006 34.8698 85.3298 34.87 -111.976 50.2592 85.3299 50.2588 -203.939 GPRESSURE: 3240800 50.4681 54.6308 -6.0911 47.8028 -39.376 -22.321 167.25 17.5651 -134.894 PRESSAVG: 3240800 26.9578 -6.18049 -7.26516 -6.18056 -65.0937 -14.0515 -7.26521 -14.0515 63.3657 GPRESSAVG: 3240800 26.9831 -5.53119 -7.6965 -6.17587 -64.1626 -14.3284 -5.41612 -14.1067 62.4469 TIMING: 3240800 CPU: 9392.43, 0.00289645/step Wall: 9392.43, 0.00289645/step, 1.4154 hours remaining, 211.636719 MB of memory in use. ENERGY: 3240800 738.2247 2118.5151 1955.1836 105.9898 -205653.7464 17554.5435 0.0000 0.0000 34361.3939 -148819.8958 300.0866 -183181.2897 -148725.5141 300.5725 -77.6363 -41.2674 558380.2435 8.4100 8.4225 PRESSURE: 3241000 -218.133 -6.50491 -151.638 -6.50473 12.4946 -70.8476 -151.637 -70.8479 -71.4172 GPRESSURE: 3241000 -149.276 72.5038 -109.654 -21.7084 -14.4869 -19.668 -193.91 -94.433 4.17567 PRESSAVG: 3241000 34.0334 4.17315 14.8606 4.17325 -18.2746 38.5143 14.8606 38.5143 -21.8559 GPRESSAVG: 3241000 32.8024 4.12215 16.6017 5.1191 -19.8673 38.1863 11.0574 38.5684 -19.9867 TIMING: 3241000 CPU: 9393.01, 0.00290828/step Wall: 9393.01, 0.00290828/step, 1.42102 hours remaining, 211.703125 MB of memory in use. ENERGY: 3241000 772.8335 2076.7462 1971.7574 120.9762 -206045.1784 17748.5104 0.0000 0.0000 34459.6584 -148894.6963 300.9448 -183354.3548 -148797.0556 299.8845 -92.3517 -53.1958 558449.7927 -2.0324 -2.3506 PRESSURE: 3241200 128.839 -193.62 9.66738 -193.619 27.0657 70.9252 9.66854 70.9268 103.224 GPRESSURE: 3241200 153.029 -210.958 -33.3889 -220.748 98.5471 130.987 76.0366 64.0416 126.012 PRESSAVG: 3241200 -35.7726 15.2023 -29.5125 15.2023 7.65357 -17.6748 -29.5124 -17.6748 19.6524 GPRESSAVG: 3241200 -34.8926 13.391 -30.6899 16.4097 8.97251 -19.5973 -26.162 -15.4274 18.0318 TIMING: 3241200 CPU: 9393.59, 0.00289508/step Wall: 9393.59, 0.00289508/step, 1.41441 hours remaining, 211.703125 MB of memory in use. ENERGY: 3241200 749.5618 2089.4704 1962.5382 101.2142 -205933.5749 17886.6424 0.0000 0.0000 34164.4623 -148979.6857 298.3667 -183144.1480 -148878.3941 299.8275 86.3763 125.8628 558020.7894 -2.8222 -2.6294 PRESSURE: 3241400 -4.68966 -24.6045 24.2702 -24.6061 24.4712 -22.1382 24.2701 -22.1403 269.362 GPRESSURE: 3241400 75.9414 -25.6906 -19.9374 43.7757 21.6517 -48.5133 91.9873 11.3811 295.65 PRESSAVG: 3241400 48.1336 15.3972 10.5676 15.3973 -89.2337 27.8523 10.5676 27.8522 43.0496 GPRESSAVG: 3241400 48.3113 15.5073 11.1665 12.2509 -89.9331 30.8623 10.1748 24.5122 43.2391 TIMING: 3241400 CPU: 9394.17, 0.00291976/step Wall: 9394.17, 0.00291976/step, 1.4263 hours remaining, 211.703125 MB of memory in use. ENERGY: 3241400 726.5097 2037.3741 1951.8925 113.3504 -205730.1669 17780.9332 0.0000 0.0000 34347.2019 -148772.9051 299.9627 -183120.1070 -148676.7357 300.0267 96.3812 131.0812 557829.9329 0.6498 0.5391 PRESSURE: 3241600 -325.543 -50.7006 -59.6795 -50.6982 -54.2898 -64.731 -59.6788 -64.7323 -164.93 GPRESSURE: 3241600 -261.081 -60.9452 -77.544 -16.4851 -41.5144 -29.1243 -6.11469 -21.0064 -136.746 PRESSAVG: 3241600 -38.6431 24.1978 23.9558 24.1978 51.3387 19.7549 23.9557 19.7549 -9.11597 GPRESSAVG: 3241600 -39.1122 26.5868 24.1984 24.6752 51.0343 20.0868 23.3904 21.1569 -8.43097 TIMING: 3241600 CPU: 9394.76, 0.00290717/step Wall: 9394.76, 0.00290717/step, 1.41999 hours remaining, 211.703125 MB of memory in use. ENERGY: 3241600 738.7579 2093.4435 1938.1640 106.8006 -205379.4777 17456.2473 0.0000 0.0000 34336.0719 -148709.9925 299.8655 -183046.0644 -148610.6466 300.3216 -181.5876 -146.4469 559073.2257 1.1932 1.1637 PRESSURE: 3241800 -29.067 33.5564 61.6171 33.5571 -111.878 170.164 61.6171 170.165 -94.1633 GPRESSURE: 3241800 -22.6218 20.2983 33.6229 138.294 -60.4835 134.42 125.535 184.879 -51.0083 PRESSAVG: 3241800 -66.4989 -30.2606 -20.749 -30.2605 28.2461 51.4028 -20.7491 51.4027 -7.14165 GPRESSAVG: 3241800 -66.8152 -30.8855 -22.2821 -28.6454 28.9753 48.4016 -19.22 52.6539 -7.40364 TIMING: 3241800 CPU: 9395.34, 0.00294252/step Wall: 9395.34, 0.00294252/step, 1.43709 hours remaining, 211.703125 MB of memory in use. ENERGY: 3241800 739.1888 2076.1051 1944.5097 124.1677 -205624.3507 17620.7944 0.0000 0.0000 34536.2392 -148583.3459 301.6136 -183119.5851 -148476.6487 300.3416 -78.3694 -44.7046 557637.2219 -15.1315 -15.0812 PRESSURE: 3242000 204.065 -58.3206 36.9433 -58.3197 219.235 -192.038 36.9435 -192.039 -95.5522 GPRESSURE: 3242000 221.212 -18.4758 146.689 -80.873 249.456 -254.434 -44.9661 -232.708 -48.5954 PRESSAVG: 3242000 15.7827 53.1881 -35.136 53.1881 16.2681 31.1868 -35.1359 31.1869 -23.574 GPRESSAVG: 3242000 15.9061 52.978 -32.246 52.1939 16.0642 31.9841 -38.0866 30.1647 -24.0496 TIMING: 3242000 CPU: 9395.93, 0.00291631/step Wall: 9395.93, 0.00291631/step, 1.42413 hours remaining, 211.703125 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: 3242000 727.7342 2084.2683 1961.5066 112.1195 -205876.5247 17701.5637 0.0000 0.0000 34545.8437 -148743.4886 301.6974 -183289.3323 -148638.6373 300.8056 109.2492 140.6909 556906.5708 2.8256 2.6402 PRESSURE: 3242200 -266.449 -139.919 165.82 -139.92 19.8368 240.144 165.819 240.142 36.0888 GPRESSURE: 3242200 -227.677 -152.13 120.007 -128.356 79.0891 247.693 122.608 192.487 39.8416 PRESSAVG: 3242200 18.4383 46.7342 13.2081 46.7341 15.8556 -21.2546 13.208 -21.2546 -17.2974 GPRESSAVG: 3242200 17.4461 47.5466 11.4441 45.8075 16.789 -21.614 13.2029 -20.8309 -16.9278 TIMING: 3242200 CPU: 9396.5, 0.00288755/step Wall: 9396.5, 0.00288755/step, 1.40993 hours remaining, 211.703125 MB of memory in use. ENERGY: 3242200 714.4634 2094.2792 1934.2293 110.7711 -205470.5267 17577.2541 0.0000 0.0000 34290.3497 -148749.1801 299.4662 -183039.5298 -148660.8045 300.1704 -70.1746 -36.2489 556914.7846 5.6655 5.7691 PRESSURE: 3242400 -314.632 -164.587 -19.2877 -164.588 -479.209 146.215 -19.287 146.214 -283.01 GPRESSURE: 3242400 -294.39 -126.205 21.1289 -127.881 -392.293 104.145 -47.9341 100.633 -287.95 PRESSAVG: 3242400 16.3832 16.3309 15.1007 16.3309 24.4129 8.44339 15.1007 8.44343 -14.0588 GPRESSAVG: 3242400 17.3632 15.7489 13.0214 17.7642 23.9285 9.11554 18.6487 7.30672 -14.545 TIMING: 3242400 CPU: 9397.08, 0.00289942/step Wall: 9397.08, 0.00289942/step, 1.41556 hours remaining, 211.703125 MB of memory in use. ENERGY: 3242400 743.3098 2089.5350 1965.0640 106.4007 -205309.0197 17144.6463 0.0000 0.0000 34469.6814 -148790.3826 301.0323 -183260.0639 -148696.7694 300.9348 -358.9501 -324.8779 558572.7836 8.9124 8.9156 PRESSURE: 3242600 -352.885 58.9277 -39.8015 58.927 26.0119 58.5401 -39.8015 58.5392 -78.4362 GPRESSURE: 3242600 -320.428 -44.9165 -12.7813 45.0404 59.3541 73.1387 -55.7612 102.599 -44.4546 PRESSAVG: 3242600 -15.8558 -37.2576 11.2436 -37.2576 -5.41654 46.2531 11.2436 46.253 41.6334 GPRESSAVG: 3242600 -16.5575 -38.5059 13.7546 -36.3581 -4.62081 46.4169 8.42674 45.6243 41.6128 TIMING: 3242600 CPU: 9397.67, 0.00291107/step Wall: 9397.67, 0.00291107/step, 1.42109 hours remaining, 211.703125 MB of memory in use. ENERGY: 3242600 740.2718 2105.7250 1938.5992 116.0791 -205825.2061 17740.9214 0.0000 0.0000 34430.3048 -148753.3048 300.6884 -183183.6096 -148654.9019 300.3571 -135.1032 -101.8428 559187.1402 6.7870 6.8115 PRESSURE: 3242800 -17.9916 143.336 -103.817 143.337 -46.6797 -41.5874 -103.819 -41.5868 -165.439 GPRESSURE: 3242800 -0.249077 211.113 -120.361 57.0557 -10.4321 30.2916 -99.6836 -36.2757 -126.766 PRESSAVG: 3242800 -18.5722 2.54981 14.8827 2.54984 -13.9257 12.1866 14.8827 12.1866 -1.26435 GPRESSAVG: 3242800 -19.0604 3.99935 10.9714 0.970679 -13.9211 11.7641 17.1154 15.6384 -1.00114 TIMING: 3242800 CPU: 9398.25, 0.00292815/step Wall: 9398.25, 0.00292815/step, 1.42926 hours remaining, 211.703125 MB of memory in use. ENERGY: 3242800 744.2286 2133.5545 1959.0968 99.0534 -205622.6370 17616.6212 0.0000 0.0000 34278.4315 -148791.6510 299.3621 -183070.0825 -148700.7358 300.5896 -76.7033 -45.8159 557738.4658 -11.2541 -11.3276 PRESSURE: 3243000 94.1527 0.249674 -64.1952 0.250455 210.555 -40.7389 -64.1959 -40.7378 55.613 GPRESSURE: 3243000 103.248 -51.0034 -115.77 33.4984 249.217 -54.798 -60.2817 -41.4144 92.8077 PRESSAVG: 3243000 -3.10723 -35.1672 -36.0067 -35.1672 -17.1925 -71.2419 -36.0067 -71.2419 34.0663 GPRESSAVG: 3243000 -1.98142 -36.5009 -33.7327 -34.2529 -18.4278 -71.7764 -38.7729 -74.3008 34.2228 TIMING: 3243000 CPU: 9398.84, 0.00293113/step Wall: 9398.84, 0.00293113/step, 1.43055 hours remaining, 211.703125 MB of memory in use. ENERGY: 3243000 732.4605 2094.1224 1938.7073 108.0892 -206078.9750 18005.0065 0.0000 0.0000 34589.7285 -148610.8607 302.0807 -183200.5892 -148513.3766 300.5895 120.1069 148.4243 558512.6932 4.5888 4.6045 PRESSURE: 3243200 61.8652 -64.4443 -39.6562 -64.4435 -38.4702 119.821 -39.6563 119.822 101.724 GPRESSURE: 3243200 139.786 -106.21 -6.98664 -99.4657 -1.005 90.2938 -96.109 87.6747 74.1545 PRESSAVG: 3243200 15.4567 -2.29655 -27.8542 -2.29649 14.268 -48.2305 -27.8543 -48.2305 -35.9005 GPRESSAVG: 3243200 16.2223 -1.25208 -27.5101 -0.1369 15.4181 -48.0128 -27.1848 -47.2832 -37.2567 TIMING: 3243200 CPU: 9399.42, 0.00292593/step Wall: 9399.42, 0.00292593/step, 1.42785 hours remaining, 211.703125 MB of memory in use. ENERGY: 3243200 756.2524 2107.7105 1945.1876 121.0561 -205812.4212 17675.4361 0.0000 0.0000 34444.1220 -148762.6564 300.8091 -183206.7784 -148666.5774 301.2413 41.7065 70.9785 558439.9651 -2.0586 -1.8721 PRESSURE: 3243400 -235.598 -233.307 -80.7801 -233.308 -216.802 138.78 -80.7802 138.781 -160.429 GPRESSURE: 3243400 -177.114 -203.735 -124.034 -237.014 -209.522 158.841 -17.3624 -7.97011 -135.507 PRESSAVG: 3243400 -27.763 -49.9308 -18.0534 -49.9308 16.0307 -16.0819 -18.0534 -16.0819 9.67252 GPRESSAVG: 3243400 -29.1545 -51.6544 -19.8926 -50.482 14.8891 -14.5929 -17.2485 -18.2407 11.9423 TIMING: 3243400 CPU: 9400, 0.00290506/step Wall: 9400, 0.00290506/step, 1.41751 hours remaining, 211.703125 MB of memory in use. ENERGY: 3243400 770.0165 2077.8990 1959.0837 118.3119 -205769.0420 17509.2878 0.0000 0.0000 34543.9279 -148790.5152 301.6807 -183334.4431 -148695.8750 300.7090 -204.2766 -174.0474 558080.7773 -0.6866 -0.7744 PRESSURE: 3243600 80.3735 -124.354 -24.8901 -124.352 -140.75 -47.5429 -24.8898 -47.5446 130.98 GPRESSURE: 3243600 103.073 -141.902 -39.3709 -154.173 -71.1453 -31.6675 11.8648 -24.1899 131.834 PRESSAVG: 3243600 5.38427 -12.8579 -8.79787 -12.8579 15.7832 0.908584 -8.7979 0.908672 -13.4407 GPRESSAVG: 3243600 4.88802 -10.5415 -7.33654 -15.8754 16.4917 -0.544567 -9.0429 2.34707 -12.8954 TIMING: 3243600 CPU: 9400.58, 0.00288547/step Wall: 9400.58, 0.00288547/step, 1.40779 hours remaining, 211.703125 MB of memory in use. ENERGY: 3243600 750.1965 2086.2802 1963.8321 115.2492 -206026.0068 17869.3271 0.0000 0.0000 34355.7286 -148885.3931 300.0371 -183241.1216 -148785.6054 299.7063 23.5345 54.5874 557615.9345 2.5756 2.8281 PRESSURE: 3243800 -68.5537 62.2828 17.5983 62.2821 -170.033 -36.546 17.5982 -36.5458 64.2588 GPRESSURE: 3243800 -53.3782 11.8322 8.48007 13.9931 -140.953 -20.9378 -5.80341 88.1585 121.182 PRESSAVG: 3243800 -33.3742 39.9424 37.2338 39.9424 -0.376852 -11.4826 37.2339 -11.4825 22.1614 GPRESSAVG: 3243800 -33.1668 38.1869 36.4478 42.1068 0.0351401 -11.6017 38.3001 -11.0702 21.1844 TIMING: 3243800 CPU: 9401.16, 0.00289437/step Wall: 9401.16, 0.00289437/step, 1.41197 hours remaining, 211.703125 MB of memory in use. ENERGY: 3243800 760.7788 2084.5736 1974.4606 115.3313 -205698.7997 17680.4676 0.0000 0.0000 34169.0825 -148914.1054 298.4071 -183083.1879 -148809.3980 299.3154 -58.1092 -24.3828 560433.7171 -3.8632 -3.9824 PRESSURE: 3244000 -59.557 101.762 -15.6031 101.763 106.315 -48.8299 -15.6028 -48.8297 109.18 GPRESSURE: 3244000 -58.0224 50.1869 19.7983 162.135 114.214 -69.149 12.1481 -73.0873 194.515 PRESSAVG: 3244000 -10.2646 -14.7291 12.3069 -14.7291 -0.727538 -38.6537 12.3069 -38.6539 1.98756 GPRESSAVG: 3244000 -10.6884 -14.2657 12.9774 -15.7744 -0.827248 -37.9071 12.4457 -38.7844 2.68753 TIMING: 3244000 CPU: 9401.75, 0.00293698/step Wall: 9401.75, 0.00293698/step, 1.43259 hours remaining, 211.703125 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: 3244000 736.6741 2149.9041 1947.0005 118.4464 -206016.9880 17861.7149 0.0000 0.0000 34336.3880 -148866.8600 299.8682 -183203.2480 -148772.2453 299.9370 51.9793 83.5689 559464.4640 -3.0015 -2.9427 PRESSURE: 3244200 109.658 7.60641 -4.37466 7.60809 140.64 -115.902 -4.3737 -115.901 288.577 GPRESSURE: 3244200 180.883 -51.9348 -56.9221 35.7564 165.428 -138.047 38.9421 -63.2624 287.754 PRESSAVG: 3244200 -32.0099 -37.7403 66.6352 -37.7403 41.1135 2.56061 66.6352 2.56069 36.3843 GPRESSAVG: 3244200 -31.6949 -36.0164 69.5577 -38.3487 40.081 4.47466 64.7772 1.88559 36.4525 TIMING: 3244200 CPU: 9402.32, 0.00288492/step Wall: 9402.32, 0.00288492/step, 1.40704 hours remaining, 211.703125 MB of memory in use. ENERGY: 3244200 722.8588 2084.7734 1970.7345 112.1367 -206327.3997 18103.1107 0.0000 0.0000 34346.3051 -148987.4804 299.9548 -183333.7855 -148893.6394 299.7599 179.6250 211.3548 557263.2582 15.1626 14.9462 LDB: ============= START OF LOAD BALANCING ============== 9405.71 LDB: ============== END OF LOAD BALANCING =============== 9405.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9405.71 LDB: ============= START OF LOAD BALANCING ============== 9406 LDB: Largest compute 4772 load 0.024648 is 20.9% of average load 0.117949 LDB: Average compute 0.001725 is 1.5% of average load 0.117949 LDB: TIME 9406 LOAD: AVG 0.117949 MAX 0.179424 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.391 MB LDB: TIME 9406 LOAD: AVG 0.117949 MAX 0.179424 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.594 MB LDB: TIME 9406 LOAD: AVG 0.117949 MAX 0.179424 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.594 MB LDB: ============== END OF LOAD BALANCING =============== 9406 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9406.01 PRESSURE: 3244400 -248.838 -58.3898 159.317 -58.39 -94.5218 61.0079 159.316 61.0075 1.63803 GPRESSURE: 3244400 -215.666 -35.9377 138.188 -103.829 -55.7811 38.5285 76.2598 6.15795 24.6995 PRESSAVG: 3244400 -20.595 -21.6204 11.2417 -21.6203 44.0579 12.3424 11.2416 12.3423 13.8137 GPRESSAVG: 3244400 -20.4459 -21.5784 7.33763 -21.0836 44.669 11.7382 12.4699 12.5846 13.134 TIMING: 3244400 CPU: 9402.91, 0.00292906/step Wall: 9402.91, 0.00292906/step, 1.42841 hours remaining, 211.269531 MB of memory in use. ENERGY: 3244400 750.4930 2124.3836 1971.5287 112.0863 -205611.7697 17604.3268 0.0000 0.0000 34296.3713 -148752.5800 299.5187 -183048.9513 -148661.8345 299.7423 -113.9071 -82.2493 558079.4055 12.4255 12.4524 PRESSURE: 3244600 -33.1752 -99.1914 143.369 -99.1909 -65.1713 -202.937 143.37 -202.939 -103.587 GPRESSURE: 3244600 33.6672 -80.6446 73.4313 -40.9154 -50.6714 -160.262 126.798 -129.796 -95.6012 PRESSAVG: 3244600 5.51252 3.16012 55.2948 3.16018 -10.145 -32.776 55.2948 -32.776 -16.3112 GPRESSAVG: 3244600 4.55961 4.50615 57.0476 2.89976 -10.6946 -34.0432 55.569 -31.734 -15.4377 TIMING: 3244600 CPU: 9403.49, 0.00287397/step Wall: 9403.49, 0.00287397/step, 1.40138 hours remaining, 211.472656 MB of memory in use. ENERGY: 3244600 753.7386 2131.4197 1980.5597 124.2494 -205951.8274 17698.0747 0.0000 0.0000 34589.6044 -148674.1809 302.0796 -183263.7853 -148576.8013 300.1947 -67.3110 -37.5352 558474.7406 -6.9812 -7.1909 PRESSURE: 3244800 14.749 139.305 122.535 139.306 -22.6839 -167.801 122.535 -167.802 138.289 GPRESSURE: 3244800 15.757 148.387 176.29 194.347 44.8683 -71.2063 99.1148 -147.361 184.939 PRESSAVG: 3244800 21.3887 -49.2428 23.6573 -49.2427 -39.2107 -4.18992 23.6572 -4.18987 67.8717 GPRESSAVG: 3244800 20.2181 -52.9653 24.1785 -48.3873 -37.7337 -5.84513 21.9545 -6.19751 67.281 TIMING: 3244800 CPU: 9404.06, 0.00287188/step Wall: 9404.06, 0.00287188/step, 1.4002 hours remaining, 211.472656 MB of memory in use. ENERGY: 3244800 797.2170 2172.6049 1944.1298 123.4841 -206001.7729 17918.8515 0.0000 0.0000 34208.1496 -148837.3361 298.7483 -183045.4857 -148742.0469 301.3267 43.4512 81.8549 557220.1792 16.6832 16.5885 PRESSURE: 3245000 -77.8076 -81.7892 98.1906 -81.7903 -127.972 49.2785 98.1901 49.2779 54.4814 GPRESSURE: 3245000 -79.2029 -33.8349 119.508 -96.5703 -59.3618 52.3779 48.1893 17.9539 89.8758 PRESSAVG: 3245000 -26.0913 -3.51781 9.37902 -3.51784 6.32166 74.9905 9.37906 74.9905 37.5037 GPRESSAVG: 3245000 -24.6979 -1.1169 6.4115 -5.3628 5.60161 77.8859 10.5026 74.6347 37.232 TIMING: 3245000 CPU: 9404.64, 0.00289392/step Wall: 9404.64, 0.00289392/step, 1.41078 hours remaining, 211.472656 MB of memory in use. ENERGY: 3245000 756.5766 2203.4083 1968.4041 113.4739 -205890.7446 17703.8831 0.0000 0.0000 34557.3241 -148587.6745 301.7977 -183144.9986 -148488.6523 300.4093 -50.4327 -16.2296 558542.9715 5.9114 6.0452 PRESSURE: 3245200 140.691 -95.2499 72.747 -95.2488 -253.935 232.967 72.7484 232.967 336.761 GPRESSURE: 3245200 191.444 -146.938 7.20776 26.5551 -256.33 36.7712 137.906 278.244 374.933 PRESSAVG: 3245200 -30.6739 -2.39498 -19.1764 -2.39493 -4.30146 50.3169 -19.1764 50.317 29.2446 GPRESSAVG: 3245200 -31.1346 -2.55316 -17.2046 -0.865286 -3.67714 47.4661 -19.8643 53.0131 29.1001 TIMING: 3245200 CPU: 9405.22, 0.00290302/step Wall: 9405.22, 0.00290302/step, 1.41506 hours remaining, 211.472656 MB of memory in use. ENERGY: 3245200 747.3525 2141.8249 1961.9975 106.0278 -205913.9047 17737.0281 0.0000 0.0000 34521.2539 -148698.4201 301.4827 -183219.6740 -148599.1632 301.0552 74.5057 103.3490 557354.5504 -1.9103 -1.9039 PRESSURE: 3245400 -18.6132 40.4118 -66.6363 40.4125 40.1525 -79.246 -66.6362 -79.246 -55.3468 GPRESSURE: 3245400 49.8265 -41.8399 -100.66 134.681 13.6442 -19.4054 11.8445 -30.1024 -14.7618 PRESSAVG: 3245400 29.0313 -11.5273 -15.7557 -11.5273 46.8812 -42.0654 -15.7556 -42.0654 -25.7396 GPRESSAVG: 3245400 28.5692 -12.3782 -16.7686 -9.25026 48.4634 -39.9124 -14.4667 -42.5849 -27.2822 TIMING: 3245400 CPU: 9405.8, 0.00290814/step Wall: 9405.8, 0.00290814/step, 1.41739 hours remaining, 211.472656 MB of memory in use. ENERGY: 3245400 777.4772 2047.8656 1959.1406 120.3918 -205667.9166 17778.8783 0.0000 0.0000 34212.6620 -148771.5011 298.7877 -182984.1631 -148679.5469 300.2225 -11.2692 16.2363 558924.8507 16.7243 16.5835 PRESSURE: 3245600 173.807 -2.31643 -83.6501 -2.31641 115.006 165.75 -83.6505 165.752 -187.969 GPRESSURE: 3245600 205.496 19.6069 -85.0277 -52.963 104.773 177.444 -39.8545 184.357 -121.746 PRESSAVG: 3245600 58.8072 37.3119 5.26301 37.3119 -54.2517 16.2508 5.26308 16.2508 22.2029 GPRESSAVG: 3245600 58.9178 36.9455 6.29639 35.8899 -56.7213 16.1673 5.00628 16.9806 24.4667 TIMING: 3245600 CPU: 9406.38, 0.00291635/step Wall: 9406.38, 0.00291635/step, 1.42123 hours remaining, 211.472656 MB of memory in use. ENERGY: 3245600 770.5532 2096.5310 1963.8824 111.0716 -205863.0317 17924.7992 0.0000 0.0000 34161.7896 -148834.4047 298.3434 -182996.1943 -148739.1958 299.7556 33.6147 62.8411 559037.3300 8.9194 8.8877 PRESSURE: 3245800 -53.5121 3.63084 137.005 3.63042 -214.226 71.2774 137.006 71.2806 -175.757 GPRESSURE: 3245800 -52.2664 66.8775 124.217 29.3849 -162.823 -4.63811 109.421 138.649 -123.522 PRESSAVG: 3245800 27.4361 -8.09281 -27.4806 -8.09277 -14.5124 19.3073 -27.4807 19.3072 -30.8514 GPRESSAVG: 3245800 26.7669 -7.45566 -30.6348 -9.34124 -13.4506 17.9493 -27.2303 19.2097 -31.0426 TIMING: 3245800 CPU: 9406.97, 0.00290715/step Wall: 9406.97, 0.00290715/step, 1.41659 hours remaining, 211.472656 MB of memory in use. ENERGY: 3245800 776.3580 2084.5713 1961.9272 111.3828 -205908.3959 17732.0996 0.0000 0.0000 34241.4377 -149000.6194 299.0390 -183242.0571 -148906.0944 299.6709 -147.8316 -112.8707 559215.9494 -5.9759 -5.9088 PRESSURE: 3246000 108.636 -41.6566 101.38 -41.6557 18.849 8.04154 101.381 8.04108 -36.6824 GPRESSURE: 3246000 104.634 -29.9796 73.3287 -5.46695 105.717 -43.0197 84.417 -14.9229 -28.5313 PRESSAVG: 3246000 -11.1117 21.0154 13.1934 21.0154 39.5251 -48.5139 13.1933 -48.5139 -7.43105 GPRESSAVG: 3246000 -10.6248 17.8582 14.746 22.3238 39.2459 -48.0379 11.6147 -51.0243 -7.4549 TIMING: 3246000 CPU: 9407.55, 0.00290766/step Wall: 9407.55, 0.00290766/step, 1.41668 hours remaining, 211.472656 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: 3246000 732.9440 2118.7761 1960.3096 124.8961 -206075.1382 17916.7681 0.0000 0.0000 34283.0945 -148938.3498 299.4028 -183221.4443 -148843.8381 300.2715 30.2674 60.6065 559025.5559 6.9941 7.0554 PRESSURE: 3246200 -308.225 -99.0646 -46.4 -99.0626 -368.859 -37.1238 -46.3999 -37.1233 42.749 GPRESSURE: 3246200 -263.851 -176.315 -47.4672 65.5381 -329.179 5.82065 -76.2778 -17.8174 52.7059 PRESSAVG: 3246200 23.7387 37.5357 1.16609 37.5357 -7.32007 -21.4683 1.16615 -21.4683 -64.8466 GPRESSAVG: 3246200 23.2192 38.409 0.584999 38.6869 -7.28591 -20.3833 2.74011 -19.7139 -64.3566 TIMING: 3246200 CPU: 9408.13, 0.00289223/step Wall: 9408.13, 0.00289223/step, 1.409 hours remaining, 211.472656 MB of memory in use. ENERGY: 3246200 729.0316 2185.6302 1975.4092 106.8711 -205634.4430 17321.4638 0.0000 0.0000 34223.5104 -149092.5267 298.8824 -183316.0371 -149004.0753 299.5300 -211.4450 -180.1082 558091.6472 -16.1426 -16.1411 PRESSURE: 3246400 -148.84 128.552 77.5257 128.55 149.59 -22.4962 77.5266 -22.4942 -198.955 GPRESSURE: 3246400 -86.8871 72.501 133.84 172.132 176.007 7.14585 28.0261 2.35072 -191.293 PRESSAVG: 3246400 28.9104 11.0434 22.4524 11.0434 -23.6806 -42.9063 22.4524 -42.9062 0.972087 GPRESSAVG: 3246400 29.8153 11.4448 23.5633 7.51814 -23.1227 -44.6472 21.347 -41.6194 0.0770143 TIMING: 3246400 CPU: 9408.71, 0.00291544/step Wall: 9408.71, 0.00291544/step, 1.42015 hours remaining, 211.472656 MB of memory in use. ENERGY: 3246400 771.2759 2072.0688 1958.5017 106.0548 -206145.5792 17865.8882 0.0000 0.0000 34506.0493 -148865.7406 301.3499 -183371.7899 -148773.1681 299.8465 -66.0682 -34.0577 559353.7660 2.0673 2.2565 PRESSURE: 3246600 -119.136 -50.4608 -78.6988 -50.4604 -83.1647 4.49925 -78.6976 4.50008 41.202 GPRESSURE: 3246600 -52.4069 -49.3156 -107.202 -117.279 -89.8635 23.003 -105.173 8.58324 72.0857 PRESSAVG: 3246600 -63.8413 23.3925 5.77878 23.3925 -6.29351 -7.29334 5.77878 -7.29336 20.3769 GPRESSAVG: 3246600 -64.3579 24.1281 5.71849 26.5057 -6.1027 -4.6594 7.48731 -11.1554 20.3616 TIMING: 3246600 CPU: 9409.29, 0.00292326/step Wall: 9409.29, 0.00292326/step, 1.42379 hours remaining, 211.472656 MB of memory in use. ENERGY: 3246600 762.6121 2096.4109 1988.5624 116.3351 -205925.7860 17792.0454 0.0000 0.0000 34191.9745 -148977.8457 298.6070 -183169.8202 -148886.4459 300.3746 -53.6996 -23.3949 559748.0716 -16.5860 -16.6997 PRESSURE: 3246800 -129.292 108.973 86.7571 108.973 118.252 126.554 86.7575 126.553 -291.432 GPRESSURE: 3246800 -102.354 87.7281 6.72345 173.33 142.367 117.598 73.1125 150.972 -246.025 PRESSAVG: 3246800 28.5945 -19.3267 -3.48431 -19.3267 -35.3122 -37.606 -3.48431 -37.606 36.2133 GPRESSAVG: 3246800 30.4857 -19.0829 -2.13316 -19.5639 -36.6012 -38.1461 -3.95403 -35.6358 35.7672 TIMING: 3246800 CPU: 9409.88, 0.00293406/step Wall: 9409.88, 0.00293406/step, 1.42889 hours remaining, 211.472656 MB of memory in use. ENERGY: 3246800 803.1780 2051.1283 1973.8858 123.2796 -205720.1206 17597.0361 0.0000 0.0000 34353.8758 -148817.7371 300.0209 -183171.6129 -148720.1663 300.0280 -100.8241 -68.6705 558117.4612 9.8319 9.8839 PRESSURE: 3247000 3.92698 286.615 -28.222 286.615 -209.74 -98.6607 -28.223 -98.6606 276.551 GPRESSURE: 3247000 40.773 248.05 44.9238 282.895 -195.861 -110.15 -88.9569 -143.161 324.978 PRESSAVG: 3247000 34.9556 24.679 19.5436 24.6791 -37.1752 -53.5208 19.5435 -53.521 17.2024 GPRESSAVG: 3247000 34.4682 25.0152 17.1097 22.9283 -36.9015 -54.0284 20.2495 -53.065 17.4712 TIMING: 3247000 CPU: 9410.46, 0.00292093/step Wall: 9410.46, 0.00292093/step, 1.42233 hours remaining, 211.675781 MB of memory in use. ENERGY: 3247000 763.3813 2153.4345 1944.6330 108.8366 -206374.9565 17946.3292 0.0000 0.0000 34216.2702 -149242.0716 298.8192 -183458.3418 -149141.9849 299.9800 23.5792 56.6301 556593.6679 4.9943 5.0126 PRESSURE: 3247200 114.074 -112.159 -39.132 -112.159 -34.2244 15.6143 -39.1323 15.614 -196.509 GPRESSURE: 3247200 111.415 -32.597 -45.0681 -56.4587 59.7195 37.2777 0.71184 -28.4971 -196.285 PRESSAVG: 3247200 17.3158 -13.6742 39.9343 -13.6742 -28.3301 -48.1373 39.9342 -48.1373 26.8582 GPRESSAVG: 3247200 16.7596 -16.31 40.5517 -13.3844 -27.372 -49.946 38.5474 -46.8091 26.7287 TIMING: 3247200 CPU: 9411.05, 0.00293481/step Wall: 9411.05, 0.00293481/step, 1.42893 hours remaining, 211.675781 MB of memory in use. ENERGY: 3247200 780.5442 2192.6858 2000.6095 131.8747 -205999.8468 17716.9364 0.0000 0.0000 34225.2218 -148951.9743 298.8974 -183177.1962 -148848.3137 299.6619 -38.8865 -8.3835 555958.3076 5.2813 5.3721 PRESSURE: 3247400 -508.233 27.2026 -19.3639 27.2045 -263.032 40.1734 -19.3642 40.1735 -174.839 GPRESSURE: 3247400 -449.689 -4.9526 -44.3606 32.0121 -194.236 58.9986 58.9605 -42.6686 -194.999 PRESSAVG: 3247400 -29.5754 -18.1722 -25.0126 -18.1721 32.8416 -1.06869 -25.0126 -1.06862 34.9291 GPRESSAVG: 3247400 -29.2534 -13.3824 -25.219 -20.2385 32.7875 -0.527172 -23.6823 -2.77416 35.5436 TIMING: 3247400 CPU: 9411.63, 0.00291714/step Wall: 9411.63, 0.00291714/step, 1.42016 hours remaining, 211.675781 MB of memory in use. ENERGY: 3247400 756.7225 2143.8751 1956.8842 117.8455 -205808.4917 17340.9970 0.0000 0.0000 34416.9079 -149075.2595 300.5714 -183492.1674 -148977.0478 299.5715 -315.3678 -279.6413 557733.9864 12.7318 13.0259 PRESSURE: 3247600 -404.494 52.758 8.65563 52.7572 -116.167 -86.2379 8.65592 -86.2376 -163.791 GPRESSURE: 3247600 -423.281 33.244 49.7271 96.5356 -75.4391 -97.6864 -53.9343 -114.669 -96.3512 PRESSAVG: 3247600 -50.1424 34.5656 4.49811 34.5655 0.476236 -14.6293 4.49821 -14.6293 36.9779 GPRESSAVG: 3247600 -50.5145 33.4427 4.88611 34.2614 0.451936 -15.9434 1.00414 -13.8104 37.336 TIMING: 3247600 CPU: 9412.21, 0.00289346/step Wall: 9412.21, 0.00289346/step, 1.40847 hours remaining, 211.675781 MB of memory in use. ENERGY: 3247600 750.6461 2166.5266 1940.7034 118.2918 -206117.1216 17581.1719 0.0000 0.0000 34494.9131 -149064.8686 301.2527 -183559.7818 -148965.4103 299.9426 -228.1508 -198.3571 558345.3241 -4.2294 -4.2422 PRESSURE: 3247800 32.5829 72.4859 117.388 72.4868 -117.205 24.3579 117.389 24.36 -25.7801 GPRESSURE: 3247800 86.2829 42.9192 58.2634 133.545 -62.9519 -4.93947 191.103 -51.748 -49.7049 PRESSAVG: 3247800 59.0968 56.1845 -6.56127 56.1846 -40.2309 33.0928 -6.56121 33.0927 -17.7908 GPRESSAVG: 3247800 58.3493 54.7556 -8.43428 57.4297 -39.0766 34.2402 -2.381 33.026 -18.6276 TIMING: 3247800 CPU: 9412.79, 0.00290489/step Wall: 9412.79, 0.00290489/step, 1.41387 hours remaining, 211.675781 MB of memory in use. ENERGY: 3247800 710.6801 2144.7948 1962.6515 123.3068 -205820.4219 17550.7395 0.0000 0.0000 34195.1938 -149133.0555 298.6351 -183328.2493 -149032.8081 299.4819 -36.8008 -8.7913 557104.9459 0.3584 0.2150 PRESSURE: 3248000 283.873 97.9452 -94.4524 97.9456 392.289 126.962 -94.4528 126.962 337.062 GPRESSURE: 3248000 321.329 95.9019 -49.7176 81.3078 458.011 144.132 -114.399 182.992 333.219 PRESSAVG: 3248000 27.7829 19.9968 10.5268 19.9969 -3.17273 -9.87965 10.5268 -9.87973 5.99402 GPRESSAVG: 3248000 28.3715 19.7042 11.157 20.2475 -3.74101 -8.37345 9.25132 -11.7143 5.4922 TIMING: 3248000 CPU: 9413.37, 0.00289088/step Wall: 9413.37, 0.00289088/step, 1.40689 hours remaining, 211.675781 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: 3248000 724.0538 2062.4153 1961.8333 115.8732 -206506.3157 18093.6746 0.0000 0.0000 34374.0614 -149174.4041 300.1972 -183548.4656 -149079.8093 299.2093 337.7414 370.8529 554959.0445 10.2014 10.0409 PRESSURE: 3248200 -158.909 27.1084 -76.9004 27.1088 -132.999 -128.305 -76.9007 -128.304 -150.1 GPRESSURE: 3248200 -133.185 -0.370015 -81.7866 17.6515 -110.555 -97.1574 -110.099 -56.4525 -99.99 PRESSAVG: 3248200 66.7992 -18.2855 -63.561 -18.2856 -24.3975 48.3957 -63.561 48.3957 20.1087 GPRESSAVG: 3248200 66.8448 -18.4217 -62.566 -17.4408 -25.7531 46.7383 -63.5116 49.4216 20.3742 TIMING: 3248200 CPU: 9413.96, 0.00292096/step Wall: 9413.96, 0.00292096/step, 1.42137 hours remaining, 211.675781 MB of memory in use. ENERGY: 3248200 776.5916 2153.1136 1939.4251 127.3795 -205907.1664 17542.3566 0.0000 0.0000 34211.2017 -149157.0983 298.7749 -183368.3001 -149054.6189 299.5672 -147.3361 -114.5766 557013.2752 20.8368 20.4886 LDB: ============= START OF LOAD BALANCING ============== 9417.34 LDB: ============== END OF LOAD BALANCING =============== 9417.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9417.35 LDB: ============= START OF LOAD BALANCING ============== 9417.63 LDB: Largest compute 4772 load 0.024601 is 20.8% of average load 0.118039 LDB: Average compute 0.001723 is 1.5% of average load 0.118039 LDB: TIME 9417.64 LOAD: AVG 0.118039 MAX 0.178998 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.539 MB LDB: TIME 9417.64 LOAD: AVG 0.118039 MAX 0.178998 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.742 MB LDB: TIME 9417.64 LOAD: AVG 0.118039 MAX 0.178998 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.742 MB LDB: ============== END OF LOAD BALANCING =============== 9417.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9417.64 PRESSURE: 3248400 42.3311 -56.7454 160.357 -56.746 101.225 -24.5711 160.358 -24.573 264.689 GPRESSURE: 3248400 76.0525 -9.83301 127.303 -92.7785 114.512 -21.4228 157.059 -96.6314 315.198 PRESSAVG: 3248400 32.1154 -8.57046 -65.1715 -8.57041 -8.9423 84.2829 -65.1716 84.2827 -9.77109 GPRESSAVG: 3248400 31.0449 -9.16758 -66.8574 -10.3403 -9.15545 83.6094 -63.9614 84.0046 -8.99187 TIMING: 3248400 CPU: 9414.55, 0.0029536/step Wall: 9414.55, 0.0029536/step, 1.43709 hours remaining, 210.425781 MB of memory in use. ENERGY: 3248400 744.4337 2185.3856 1946.2531 127.4885 -206338.2317 17978.8107 0.0000 0.0000 34337.1162 -149018.7439 299.8746 -183355.8602 -148922.4470 299.2282 136.0814 168.5875 556465.8570 4.4673 4.2992 PRESSURE: 3248600 172.832 -56.2515 -96.6038 -56.2531 102.515 60.0513 -96.6031 60.0496 -205.589 GPRESSURE: 3248600 160.256 -69.3803 -157.702 3.32703 180.754 -56.3306 28.5025 105.708 -183.821 PRESSAVG: 3248600 20.675 -16.3742 -21.2111 -16.3742 -3.42883 -27.6466 -21.2111 -27.6465 -2.48046 GPRESSAVG: 3248600 20.0582 -16.1518 -21.133 -15.1195 -3.23825 -28.728 -21.3809 -25.9334 -2.78313 TIMING: 3248600 CPU: 9415.13, 0.00288795/step Wall: 9415.13, 0.00288795/step, 1.40499 hours remaining, 210.496094 MB of memory in use. ENERGY: 3248600 721.5693 2103.8866 1930.5744 104.8687 -205987.3222 17840.6501 0.0000 0.0000 34285.5969 -149000.1761 299.4246 -183285.7730 -148902.7246 299.6085 23.2530 52.3965 558441.3143 4.9219 4.6790 PRESSURE: 3248800 -107.608 98.636 179.368 98.637 -137.984 205.454 179.368 205.455 -25.9051 GPRESSURE: 3248800 -113.976 86.6127 162.618 189.824 -112.288 211.009 136.808 162.394 46.5966 PRESSAVG: 3248800 -7.37363 2.72932 38.7268 2.72928 39.1196 49.9232 38.7267 49.9233 3.2848 GPRESSAVG: 3248800 -6.21598 2.8776 39.9894 1.54308 39.0802 53.1951 38.3261 49.1757 2.50609 TIMING: 3248800 CPU: 9415.71, 0.00290344/step Wall: 9415.71, 0.00290344/step, 1.41236 hours remaining, 210.496094 MB of memory in use. ENERGY: 3248800 722.8982 2134.1076 1936.7584 121.0573 -206033.7078 17716.1837 0.0000 0.0000 34396.9743 -149005.7283 300.3973 -183402.7027 -148911.0412 300.0856 -90.4991 -59.8892 558931.3527 11.6769 11.7901 PRESSURE: 3249000 104.206 -0.857061 -53.7896 -0.857068 158.341 -82.1607 -53.7892 -82.1624 -6.59894 GPRESSURE: 3249000 143.869 -31.308 -100.006 -6.78037 217.631 -82.2423 -53.3397 -74.5136 -1.72842 PRESSAVG: 3249000 17.6271 -5.96687 31.0168 -5.9669 -53.3235 28.5169 31.0169 28.5168 54.9254 GPRESSAVG: 3249000 17.3183 -6.18603 28.7693 -6.69372 -52.2932 28.9513 32.3281 27.4396 54.3036 TIMING: 3249000 CPU: 9416.28, 0.00288717/step Wall: 9416.28, 0.00288717/step, 1.40429 hours remaining, 210.496094 MB of memory in use. ENERGY: 3249000 750.8334 2037.9026 1943.7755 112.5295 -206560.9219 18177.8059 0.0000 0.0000 34546.8786 -148991.1964 301.7065 -183538.0750 -148899.2510 299.8633 85.3159 119.9240 559113.4178 6.4097 6.4429 PRESSURE: 3249200 63.7391 -103.663 43.069 -103.663 -188.968 -2.81166 43.0681 -2.81104 4.14285 GPRESSURE: 3249200 26.887 -52.9554 128.392 -98.5239 -90.595 -3.06899 -11.4709 -79.631 46.5711 PRESSAVG: 3249200 2.39987 -12.2574 57.5498 -12.2575 8.21317 20.9464 57.5498 20.9463 -4.99169 GPRESSAVG: 3249200 1.7364 -11.601 60.9921 -12.7964 8.17922 19.6965 54.3738 21.8739 -5.01678 TIMING: 3249200 CPU: 9416.86, 0.00289998/step Wall: 9416.86, 0.00289998/step, 1.41036 hours remaining, 210.546875 MB of memory in use. ENERGY: 3249200 748.6605 2082.6642 1974.2609 107.9475 -205710.2944 17549.0172 0.0000 0.0000 34357.0939 -148890.6503 300.0490 -183247.7442 -148795.6465 299.3958 -40.3620 -5.7123 557129.7114 1.8738 1.6329 PRESSURE: 3249400 -147.82 63.4238 -35.7131 63.4217 93.9895 68.7975 -35.7129 68.7963 96.3217 GPRESSURE: 3249400 -80.9798 69.4054 -29.3761 141.177 122.763 128.173 -112.455 52.7948 95.6709 PRESSAVG: 3249400 45.9879 -4.35734 34.2202 -4.35733 7.64609 12.1962 34.2202 12.1963 -8.66933 GPRESSAVG: 3249400 46.3689 -4.79687 31.9202 -3.71406 6.42528 13.1435 36.6254 14.3986 -8.59362 TIMING: 3249400 CPU: 9417.44, 0.00290702/step Wall: 9417.44, 0.00290702/step, 1.41362 hours remaining, 210.546875 MB of memory in use. ENERGY: 3249400 717.6643 2111.1343 1951.4633 103.4788 -205349.9651 17467.9803 0.0000 0.0000 34324.8852 -148673.3589 299.7678 -182998.2441 -148574.3248 300.7713 14.1638 45.8182 556693.3797 14.9882 14.7335 PRESSURE: 3249600 322.739 -156.831 -40.2262 -156.829 137.017 -16.1356 -40.2259 -16.1361 246.315 GPRESSURE: 3249600 375.567 -190.289 -43.9442 -153.509 155.359 -11.4946 -28.0323 52.3448 276.178 PRESSAVG: 3249600 -36.108 -53.8014 -10.1302 -53.8015 39.5846 20.6225 -10.1302 20.6225 38.6977 GPRESSAVG: 3249600 -36.485 -53.1609 -8.7608 -53.3393 40.4641 17.087 -9.64783 20.866 38.1257 TIMING: 3249600 CPU: 9418.03, 0.00290223/step Wall: 9418.03, 0.00290223/step, 1.41113 hours remaining, 210.546875 MB of memory in use. ENERGY: 3249600 708.6772 2066.3740 1954.7331 115.4183 -205850.8592 17852.2769 0.0000 0.0000 34524.3759 -148629.0038 301.5100 -183153.3797 -148532.2453 301.0055 235.3569 269.0350 555510.7916 14.0581 14.0349 PRESSURE: 3249800 -51.5432 -7.5229 -45.579 -7.52333 77.4056 -144.815 -45.5787 -144.815 52.0476 GPRESSURE: 3249800 -20.8612 -25.6469 -4.47326 -19.3146 118.698 -174.014 -115.527 -123.65 63.5472 PRESSAVG: 3249800 -16.0803 -28.7425 -3.51549 -28.7426 33.8222 6.2651 -3.51552 6.265 -1.94919 GPRESSAVG: 3249800 -16.7255 -29.1418 -2.99656 -28.1906 34.236 8.98545 -5.71459 4.18749 -1.3593 TIMING: 3249800 CPU: 9418.61, 0.0029168/step Wall: 9418.61, 0.0029168/step, 1.41805 hours remaining, 210.546875 MB of memory in use. ENERGY: 3249800 711.8005 2138.9642 1930.2936 109.2559 -205853.5355 17695.9467 0.0000 0.0000 34556.5542 -148710.7203 301.7910 -183267.2745 -148607.8980 300.6275 25.9700 53.7948 558230.4432 5.2642 5.3837 PRESSURE: 3250000 -60.1209 -3.89345 43.6272 -3.89317 -15.7865 108.469 43.6267 108.47 -48.1597 GPRESSURE: 3250000 -18.3367 -38.1827 30.4323 9.34014 55.807 152.815 91.9177 54.6945 -49.1741 PRESSAVG: 3250000 -95.7855 -11.1582 -18.4417 -11.1582 58.4948 -1.56008 -18.4416 -1.56009 0.122515 GPRESSAVG: 3250000 -94.4611 -10.6832 -17.949 -10.019 57.6306 -1.18211 -19.311 -0.621808 0.444856 TIMING: 3250000 CPU: 9419.19, 0.0029068/step Wall: 9419.19, 0.00290681/step, 1.41303 hours remaining, 210.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3250000 752.0154 2076.6012 1962.6541 105.1572 -205952.3678 17752.6124 0.0000 0.0000 34484.7057 -148818.6217 301.1635 -183303.3273 -148724.8978 300.9155 -41.3557 -3.9013 558250.6321 -12.3894 -12.1286 PRESSURE: 3250200 84.5918 46.9049 114.518 46.9046 -50.0416 70.5884 114.518 70.5878 142.369 GPRESSURE: 3250200 139.878 103.515 166.775 -1.94739 -47.1353 56.4187 77.9085 65.3357 187.145 PRESSAVG: 3250200 26.3688 8.09521 41.6255 8.09518 -3.80912 25.8164 41.6255 25.8164 -1.55316 GPRESSAVG: 3250200 25.4885 8.5774 41.3314 6.15383 -4.44126 24.8496 41.8876 26.5209 -0.164669 TIMING: 3250200 CPU: 9419.77, 0.00290188/step Wall: 9419.77, 0.00290188/step, 1.41047 hours remaining, 210.546875 MB of memory in use. ENERGY: 3250200 717.9801 2104.4710 1943.0137 114.8398 -206120.8734 17836.9847 0.0000 0.0000 34407.4794 -148996.1048 300.4891 -183403.5841 -148902.9296 300.1813 58.9730 93.2959 558495.2009 7.0022 6.9608 PRESSURE: 3250400 -206.384 4.90457 110.819 4.90515 92.4881 -33.362 110.819 -33.3634 -230.699 GPRESSURE: 3250400 -170.262 -26.2365 156.836 31.1732 142.146 -23.879 60.1822 19.6478 -207.013 PRESSAVG: 3250400 -19.395 36.9849 37.5672 36.985 10.8581 2.65257 37.5673 2.65256 22.3101 GPRESSAVG: 3250400 -18.8802 34.4346 38.2324 36.966 11.5744 2.39423 38.2204 1.85905 21.4499 TIMING: 3250400 CPU: 9420.35, 0.00290765/step Wall: 9420.35, 0.00290765/step, 1.41312 hours remaining, 210.546875 MB of memory in use. ENERGY: 3250400 769.7603 2101.7857 2005.9489 130.8039 -205859.1108 17700.2976 0.0000 0.0000 34328.3601 -148822.1544 299.7981 -183150.5145 -148734.9437 300.4457 -114.8649 -78.3763 558466.2858 4.5910 4.7147 PRESSURE: 3250600 22.246 2.10733 43.6627 2.10608 -86.8242 20.0073 43.6618 20.0066 -78.4519 GPRESSURE: 3250600 115.453 46.6652 -35.1708 -1.94524 -100.045 -18.0077 109.902 78.4658 -68.4769 PRESSAVG: 3250600 -7.41623 -4.0442 46.2585 -4.04422 52.8707 -1.71364 46.2585 -1.71364 -11.6592 GPRESSAVG: 3250600 -7.78034 -2.24015 47.9235 -3.92286 53.0488 -2.96648 43.813 -0.117368 -12.1074 TIMING: 3250600 CPU: 9420.93, 0.00290392/step Wall: 9420.93, 0.00290392/step, 1.41114 hours remaining, 210.546875 MB of memory in use. ENERGY: 3250600 754.2173 2113.5831 1937.7315 105.6586 -205766.5241 17628.8000 0.0000 0.0000 34361.9568 -148864.5769 300.0915 -183226.5337 -148771.3158 299.9057 -47.6767 -17.6894 558001.2443 11.2651 11.0537 PRESSURE: 3250800 -226.643 116.9 93.9725 116.899 -70.4397 17.9188 93.9727 17.9185 89.4655 GPRESSURE: 3250800 -193.867 75.1588 130.954 197.959 -26.2189 18.6635 161.008 -44.1547 102.978 PRESSAVG: 3250800 -0.548406 -9.73686 16.5916 -9.73691 -13.3812 -15.3077 16.5917 -15.3077 -13.5479 GPRESSAVG: 3250800 -1.36457 -8.4881 14.6978 -9.36146 -11.538 -13.9089 18.4554 -15.534 -13.7862 TIMING: 3250800 CPU: 9421.51, 0.00290742/step Wall: 9421.51, 0.00290742/step, 1.41268 hours remaining, 210.546875 MB of memory in use. ENERGY: 3250800 729.2011 2140.3081 1972.7422 103.6750 -205765.5909 17611.0638 0.0000 0.0000 34363.5681 -148845.0326 300.1056 -183208.6007 -148748.0701 299.9134 -69.2059 -39.0359 559716.6294 -9.1592 -8.8963 PRESSURE: 3251000 131.845 117.375 -76.1379 117.375 -149.681 83.0197 -76.1372 83.0208 -28.6165 GPRESSURE: 3251000 125.412 138.051 -45.6295 110.848 -115.649 123.241 -79.4439 46.0623 29.2401 PRESSAVG: 3251000 -21.0055 90.2324 17.2442 90.2324 -9.11199 14.4327 17.2441 14.4326 53.0989 GPRESSAVG: 3251000 -21.5098 87.7318 16.803 89.8519 -8.98389 15.2357 16.4402 10.4986 53.3074 TIMING: 3251000 CPU: 9422.09, 0.00290389/step Wall: 9422.09, 0.00290389/step, 1.41081 hours remaining, 210.546875 MB of memory in use. ENERGY: 3251000 719.6753 2130.9291 1936.9255 112.7144 -206146.5554 17786.3669 0.0000 0.0000 34315.2387 -149144.7056 299.6835 -183459.9442 -149040.2263 300.0489 -15.4842 13.0010 557582.8086 7.6605 7.6046 PRESSURE: 3251200 1.69579 53.3453 46.6641 53.3465 107.153 -53.0051 46.6646 -53.0059 173.241 GPRESSURE: 3251200 23.2235 -16.0471 96.3198 130.32 140.259 -44.061 82.3497 -98.8488 222.352 PRESSAVG: 3251200 -32.1419 15.5514 65.0884 15.5513 -16.8329 28.5051 65.0884 28.505 69.3407 GPRESSAVG: 3251200 -32.7133 16.191 65.0505 16.4135 -17.5234 28.804 66.2021 29.7539 70.4093 TIMING: 3251200 CPU: 9422.68, 0.00291006/step Wall: 9422.68, 0.00291006/step, 1.41364 hours remaining, 210.546875 MB of memory in use. ENERGY: 3251200 758.1997 2112.3669 1968.4957 115.2387 -206123.4919 17886.6589 0.0000 0.0000 34164.8892 -149117.6427 298.3705 -183282.5319 -149022.0214 299.3603 94.0299 128.6115 556554.2098 6.7886 6.7242 PRESSURE: 3251400 42.4714 159.948 25.405 159.949 47.0998 41.1326 25.4041 41.1328 130.223 GPRESSURE: 3251400 81.6685 137.008 1.10983 187.286 72.3898 40.2815 -13.9062 50.0041 154.736 PRESSAVG: 3251400 33.5603 -47.8856 23.0721 -47.8857 -42.3134 22.2833 23.072 22.2832 11.7841 GPRESSAVG: 3251400 35.0021 -47.0647 21.2488 -48.7226 -42.626 21.2842 24.6864 24.4063 10.2513 TIMING: 3251400 CPU: 9423.26, 0.00290133/step Wall: 9423.26, 0.00290133/step, 1.40924 hours remaining, 210.546875 MB of memory in use. ENERGY: 3251400 756.8148 2124.0789 1957.8561 106.3054 -206266.4737 17861.7436 0.0000 0.0000 34330.3028 -149129.3721 299.8151 -183459.6749 -149033.4635 299.6285 73.2647 102.9314 555628.6512 1.0103 0.8758 PRESSURE: 3251600 -87.7705 -55.6663 81.5536 -55.6672 -39.4394 -16.4681 81.5529 -16.4666 122.741 GPRESSURE: 3251600 -78.8987 10.8146 104.211 -48.5616 12.0707 -12.2574 150.067 14.7972 155.575 PRESSAVG: 3251600 8.34632 -36.7171 6.04468 -36.7172 -0.580958 10.6399 6.04472 10.64 1.69908 GPRESSAVG: 3251600 6.4872 -37.2194 8.09945 -35.8433 0.738238 9.6051 5.78846 10.1106 2.70714 TIMING: 3251600 CPU: 9423.83, 0.00288782/step Wall: 9423.83, 0.00288783/step, 1.40252 hours remaining, 210.546875 MB of memory in use. ENERGY: 3251600 733.6902 2112.9318 1967.9514 105.5234 -206112.9111 17680.7904 0.0000 0.0000 34233.6464 -149278.3775 298.9709 -183512.0239 -149178.8701 299.2446 -1.4895 29.5824 556863.1089 3.1548 3.3109 PRESSURE: 3251800 -119.715 163.875 -63.8271 163.876 -104.108 136.241 -63.8252 136.244 -290.771 GPRESSURE: 3251800 -57.2214 105.791 -117.147 211.43 -58.4786 144.418 20.0024 152.058 -288.834 PRESSAVG: 3251800 -71.5817 13.3512 -34.081 13.3513 89.9595 37.3209 -34.081 37.321 13.7609 GPRESSAVG: 3251800 -69.0118 14.4927 -33.314 12.4309 88.4843 35.2509 -36.4379 37.7685 12.5224 TIMING: 3251800 CPU: 9424.42, 0.00290467/step Wall: 9424.42, 0.00290467/step, 1.41054 hours remaining, 210.546875 MB of memory in use. ENERGY: 3251800 762.4426 2075.6940 1948.1746 117.5692 -206014.5910 17593.8353 0.0000 0.0000 34107.9475 -149408.9279 297.8732 -183516.8753 -149302.9105 299.2429 -171.5314 -134.8445 556808.1914 10.7129 10.6650 PRESSURE: 3252000 -143.389 85.6985 -65.3124 85.6986 -23.9355 31.7071 -65.3124 31.7048 -88.2933 GPRESSURE: 3252000 -157.845 66.6214 -59.5256 77.111 -14.4797 -6.61043 11.1647 53.5685 16.3604 PRESSAVG: 3252000 25.2861 3.96305 -0.725036 3.96307 -21.4115 28.0155 -0.725008 28.0155 -2.44709 GPRESSAVG: 3252000 23.8789 1.36502 -2.04801 4.89342 -20.9536 31.9528 1.72492 26.2464 -1.40291 TIMING: 3252000 CPU: 9424.99, 0.00289721/step Wall: 9424.99, 0.00289721/step, 1.40676 hours remaining, 210.558594 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: 3252000 715.2283 2105.0971 1990.0996 117.7765 -206142.4111 17682.0273 0.0000 0.0000 34340.2591 -149191.9233 299.9020 -183532.1824 -149097.6314 299.1653 -85.2061 -51.9881 557788.4571 0.4758 0.5074 PRESSURE: 3252200 -88.8737 3.21217 -202.639 3.21361 -5.52387 55.1626 -202.639 55.163 225 GPRESSURE: 3252200 -65.4625 2.11198 -127.217 90.6694 32.9165 139.939 -189.265 43.1895 255.267 PRESSAVG: 3252200 -17.7075 -26.0903 -20.9311 -26.0905 19.6279 0.551744 -20.9311 0.551633 29.4106 GPRESSAVG: 3252200 -17.6203 -23.9543 -17.9125 -25.6731 19.6095 1.22924 -23.6256 0.501885 29.3053 TIMING: 3252200 CPU: 9425.57, 0.0028943/step Wall: 9425.57, 0.0028943/step, 1.40518 hours remaining, 210.558594 MB of memory in use. ENERGY: 3252200 784.3712 2105.5100 1950.8723 113.0140 -206658.2981 18184.5452 0.0000 0.0000 34151.7530 -149368.2323 298.2558 -183519.9853 -149276.6758 298.4780 43.5340 74.2402 558305.6317 10.4437 10.4315 LDB: ============= START OF LOAD BALANCING ============== 9428.96 LDB: ============== END OF LOAD BALANCING =============== 9428.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9428.96 LDB: ============= START OF LOAD BALANCING ============== 9429.25 LDB: Largest compute 4772 load 0.025040 is 21.2% of average load 0.118011 LDB: Average compute 0.001727 is 1.5% of average load 0.118011 LDB: TIME 9429.25 LOAD: AVG 0.118011 MAX 0.179651 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.238 MB LDB: TIME 9429.25 LOAD: AVG 0.118011 MAX 0.179651 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.277 MB LDB: TIME 9429.25 LOAD: AVG 0.118011 MAX 0.179651 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9429.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9429.26 PRESSURE: 3252400 -0.657645 -202.869 -61.7495 -202.868 -89.5804 -89.9133 -61.7509 -89.9139 -320.82 GPRESSURE: 3252400 18.2335 -164.592 -19.3067 -168.658 -61.517 -79.7319 -64.3666 -44.1012 -270.373 PRESSAVG: 3252400 27.2213 -24.1427 -31.4463 -24.1428 -10.6445 2.37711 -31.4463 2.37699 -4.14504 GPRESSAVG: 3252400 27.7385 -23.4015 -34.5908 -25.6987 -10.8265 1.70742 -31.3839 3.8542 -4.71312 TIMING: 3252400 CPU: 9426.16, 0.00295281/step Wall: 9426.16, 0.00295281/step, 1.43343 hours remaining, 209.417969 MB of memory in use. ENERGY: 3252400 717.6295 2083.1735 1984.1290 110.4760 -206094.8634 17559.6396 0.0000 0.0000 34158.3731 -149481.4427 298.3136 -183639.8158 -149386.2062 298.3628 -137.0193 -104.5521 558460.2455 4.1439 4.0663 PRESSURE: 3252600 -318.502 42.1641 85.3578 42.1634 -509.963 -68.6222 85.3584 -68.6219 -87.4875 GPRESSURE: 3252600 -253.195 23.6945 133.478 -6.62957 -431.1 -80.793 53.0735 -48.5979 -118.716 PRESSAVG: 3252600 8.70152 -10.359 -33.1405 -10.3591 9.56943 -43.5575 -33.1404 -43.5576 -45.1966 GPRESSAVG: 3252600 8.58236 -13.7418 -31.5203 -8.99686 9.46847 -45.3423 -31.7703 -43.6847 -44.5837 TIMING: 3252600 CPU: 9426.74, 0.00290048/step Wall: 9426.74, 0.00290048/step, 1.40786 hours remaining, 209.621094 MB of memory in use. ENERGY: 3252600 773.6837 2069.3337 1977.7406 122.1290 -205918.5491 17337.9498 0.0000 0.0000 34104.3904 -149533.3219 297.8421 -183637.7123 -149430.0644 298.2536 -305.3175 -267.6704 558623.8989 -8.9752 -8.8443 PRESSURE: 3252800 -171.231 10.2385 55.8653 10.239 19.9451 187.771 55.8668 187.77 -109.107 GPRESSURE: 3252800 -134.446 30.9876 53.871 -34.0187 106.201 97.6019 120.314 166.179 -135.248 PRESSAVG: 3252800 -34.6581 23.6625 27.2862 23.6624 35.6785 11.9768 27.2862 11.9767 26.4231 GPRESSAVG: 3252800 -33.605 26.4095 26.9002 23.0469 35.3476 11.7896 25.545 12.478 26.0452 TIMING: 3252800 CPU: 9427.33, 0.00294099/step Wall: 9427.33, 0.00294099/step, 1.42736 hours remaining, 209.621094 MB of memory in use. ENERGY: 3252800 739.8221 2034.5211 1988.5457 107.5596 -206388.4153 17885.1631 0.0000 0.0000 34066.9431 -149565.8607 297.5151 -183632.8037 -149462.9241 297.7804 -86.7976 -54.4973 558750.9061 9.1478 9.2626 PRESSURE: 3253000 -103.548 -114.176 -55.3329 -114.177 111.492 116.307 -55.3322 116.307 -2.91568 GPRESSURE: 3253000 -36.7997 -73.1621 -83.9901 -174.086 78.764 119.285 -159.053 50.3716 60.4136 PRESSAVG: 3253000 -11.3734 -8.15678 18.1465 -8.15686 50.7406 36.069 18.1465 36.0691 -43.3025 GPRESSAVG: 3253000 -12.0211 -10.0343 17.8922 -6.81252 51.5278 36.2997 17.9982 34.1236 -43.7307 TIMING: 3253000 CPU: 9427.92, 0.0029301/step Wall: 9427.92, 0.0029301/step, 1.42191 hours remaining, 209.621094 MB of memory in use. ENERGY: 3253000 741.2511 2138.3390 1957.3590 119.1020 -206420.5090 17907.0853 0.0000 0.0000 34154.8590 -149402.5136 298.2829 -183557.3726 -149309.8206 297.9056 1.6761 34.1260 558737.3355 -1.3118 -1.4080 PRESSURE: 3253200 -364.898 -116.999 -12.1597 -117 2.90304 9.28206 -12.1586 9.28171 183.037 GPRESSURE: 3253200 -405.934 -143.967 -45.0554 -91.7006 61.1231 94.9444 12.482 76.0566 263.274 PRESSAVG: 3253200 -69.9976 -38.586 23.5783 -38.586 57.3671 21.4464 23.5782 21.4464 37.0084 GPRESSAVG: 3253200 -70.3881 -39.1549 23.2233 -39.0653 56.9895 24.6249 24.4397 20.7992 37.5991 TIMING: 3253200 CPU: 9428.5, 0.00291461/step Wall: 9428.5, 0.00291461/step, 1.41423 hours remaining, 209.621094 MB of memory in use. ENERGY: 3253200 720.5679 2173.1793 1930.2717 119.6934 -206107.6630 17834.4764 0.0000 0.0000 34051.9387 -149277.5355 297.3841 -183329.4742 -149181.2465 298.7668 -59.6527 -27.1790 559054.6193 8.1260 8.0668 PRESSURE: 3253400 -238.246 -23.2462 133.837 -23.2467 -51.7892 -8.12297 133.838 -8.12212 67.0685 GPRESSURE: 3253400 -156.729 19.9103 48.6902 -136.115 -1.14648 -60.24 139.605 -68.885 26.1349 PRESSAVG: 3253400 -49.8394 26.27 9.95948 26.2699 59.4948 -8.91467 9.9594 -8.91465 6.85835 GPRESSAVG: 3253400 -50.7224 27.8983 10.4225 25.8528 61.0696 -10.9898 10.1596 -7.30111 5.93575 TIMING: 3253400 CPU: 9429.08, 0.00290813/step Wall: 9429.08, 0.00290813/step, 1.41093 hours remaining, 209.621094 MB of memory in use. ENERGY: 3253400 729.2749 2139.1033 1940.3280 106.0965 -206222.6704 17673.5180 0.0000 0.0000 34330.8595 -149303.4902 299.8199 -183634.3497 -149209.9348 299.0660 -74.3220 -43.9134 558504.0043 5.5046 5.4276 PRESSURE: 3253600 -222.465 -25.8536 -81.0378 -25.8527 179.879 -7.0919 -81.0381 -7.08997 -59.4304 GPRESSURE: 3253600 -168.201 -54.4489 -70.2374 29.5218 151.061 -61.4627 -22.7415 -16.5249 17.296 PRESSAVG: 3253600 -7.09522 -40.7997 -0.826585 -40.7997 68.6496 42.1205 -0.826564 42.1205 -49.1878 GPRESSAVG: 3253600 -7.01111 -40.7673 -0.565647 -40.7493 68.0087 41.2758 -1.74821 43.4995 -48.3424 TIMING: 3253600 CPU: 9429.66, 0.00290015/step Wall: 9429.66, 0.00290015/step, 1.40689 hours remaining, 209.621094 MB of memory in use. ENERGY: 3253600 745.2240 2129.2965 1954.9334 126.8907 -205695.1683 17491.5950 0.0000 0.0000 34122.1671 -149125.0617 297.9974 -183247.2288 -149035.8429 298.7672 -34.0054 0.0521 556583.7045 4.1222 4.2184 PRESSURE: 3253800 -23.3556 36.5829 -85.4905 36.5839 280.131 -158.087 -85.4898 -158.086 201.529 GPRESSURE: 3253800 55.1893 95.3504 -72.9127 -80.9724 334.959 -62.5366 -64.6849 -136.455 175.651 PRESSAVG: 3253800 27.8528 9.52985 -44.9211 9.52985 37.7092 8.74226 -44.9211 8.74227 -67.372 GPRESSAVG: 3253800 29.3446 9.79423 -45.909 8.40617 36.4533 8.49465 -43.5031 7.44798 -67.2311 TIMING: 3253800 CPU: 9430.25, 0.00291669/step Wall: 9430.25, 0.00291669/step, 1.41476 hours remaining, 209.621094 MB of memory in use. ENERGY: 3253800 756.8949 2173.3896 1934.0841 111.4373 -206193.1976 18106.2502 0.0000 0.0000 33901.3641 -149209.7774 296.0690 -183111.1415 -149117.4365 299.0342 152.7682 188.5998 556319.7834 -0.6033 -0.4777 PRESSURE: 3254000 -1.14483 -6.32037 87.6845 -6.32108 113.727 94.1165 87.6841 94.116 28.1625 GPRESSURE: 3254000 59.7524 26.9003 94.3867 -29.5083 120.2 108.516 115.888 61.5554 56.9177 PRESSAVG: 3254000 -24.5245 -12.0602 33.4962 -12.0602 -19.5745 56.7518 33.4962 56.7517 41.5132 GPRESSAVG: 3254000 -25.617 -15.6784 33.4138 -10.7737 -18.0296 56.6267 33.4602 58.2835 41.5836 TIMING: 3254000 CPU: 9430.82, 0.00289016/step Wall: 9430.82, 0.00289016/step, 1.40173 hours remaining, 209.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3254000 743.7675 2128.4223 1985.9970 113.5380 -206082.1897 17731.0543 0.0000 0.0000 34215.4392 -149163.9712 298.8119 -183379.4104 -149073.0045 299.1022 46.9150 78.9566 555816.1358 -0.8619 -0.6877 PRESSURE: 3254200 -117.146 -182.192 63.0058 -182.192 33.2264 26.7645 63.0057 26.7646 -117.615 GPRESSURE: 3254200 -58.8898 -161.71 43.221 -188.634 37.5221 65.3966 30.2483 -33.9877 -87.2439 PRESSAVG: 3254200 -9.2078 -18.962 32.2841 -18.962 -2.01618 49.5715 32.2841 49.5715 25.4751 GPRESSAVG: 3254200 -9.40841 -16.7373 30.1749 -17.8014 -1.14504 51.6415 31.9902 47.1812 24.5848 TIMING: 3254200 CPU: 9431.4, 0.00288597/step Wall: 9431.4, 0.00288597/step, 1.39953 hours remaining, 209.621094 MB of memory in use. ENERGY: 3254200 721.7830 2130.8861 1923.2462 112.2628 -206319.6901 17869.3800 0.0000 0.0000 34375.6771 -149186.4549 300.2113 -183562.1320 -149088.7329 299.4947 -67.1783 -36.2039 557185.2614 4.7504 4.6771 PRESSURE: 3254400 -56.7031 58.4049 -38.7559 58.4052 -100.656 -80.4566 -38.7556 -80.4567 -88.756 GPRESSURE: 3254400 -13.4635 75.7557 -23.095 48.0756 -97.6237 -35.0688 -69.6879 -67.9952 -36.7165 PRESSAVG: 3254400 22.6666 33.08 -59.0431 33.0799 9.98675 28.7932 -59.0431 28.7933 14.6186 GPRESSAVG: 3254400 22.3722 32.7035 -58.4229 32.7749 10.7881 28.0348 -58.4209 29.4373 13.8577 TIMING: 3254400 CPU: 9431.98, 0.00289569/step Wall: 9431.98, 0.00289569/step, 1.40409 hours remaining, 209.621094 MB of memory in use. ENERGY: 3254400 746.7052 2089.5112 1940.9900 107.7683 -206152.2078 17911.1377 0.0000 0.0000 33939.9479 -149416.1476 296.4060 -183356.0955 -149319.8479 298.9587 -82.0384 -49.2679 557841.7914 15.7573 15.6727 PRESSURE: 3254600 -33.7889 193.757 -119.356 193.757 -94.8851 71.217 -119.355 71.2172 -194.544 GPRESSURE: 3254600 -23.3669 200.846 -69.4008 107.47 -18.0889 55.0907 -84.4077 -11.1542 -184.563 PRESSAVG: 3254600 30.4451 -10.6828 -6.18963 -10.6828 14.8353 30.7273 -6.18966 30.7274 -30.7892 GPRESSAVG: 3254600 30.1531 -10.9529 -6.509 -11.7318 13.1024 30.5911 -5.67733 31.3906 -29.4192 TIMING: 3254600 CPU: 9432.56, 0.0028923/step Wall: 9432.56, 0.0028923/step, 1.40229 hours remaining, 209.621094 MB of memory in use. ENERGY: 3254600 751.8181 2083.7834 1943.5954 125.4869 -206161.5895 17670.5337 0.0000 0.0000 34262.6954 -149323.6767 299.2246 -183586.3721 -149227.2982 298.6581 -107.7394 -75.3395 558268.3948 4.8304 4.6121 PRESSURE: 3254800 144.433 -124.923 184.733 -124.924 66.6368 -168.062 184.732 -168.062 303.334 GPRESSURE: 3254800 147.669 -67.7911 119.034 -202.784 87.3798 -232.427 204.44 -147.492 379.24 PRESSAVG: 3254800 20.9611 -33.1393 -40.9675 -33.1391 -10.4074 14.5999 -40.9675 14.5998 1.60395 GPRESSAVG: 3254800 22.1552 -32.1994 -39.7707 -33.3516 -10.6439 15.7129 -41.4732 15.0298 0.493561 TIMING: 3254800 CPU: 9433.14, 0.00290412/step Wall: 9433.14, 0.00290412/step, 1.40785 hours remaining, 209.621094 MB of memory in use. ENERGY: 3254800 724.7622 2161.5266 1933.5649 119.9853 -206654.0122 18200.7724 0.0000 0.0000 34318.6686 -149194.7322 299.7135 -183513.4009 -149098.5631 299.5016 171.4681 204.7627 557739.7675 4.0526 4.0016 PRESSURE: 3255000 186.286 -90.2263 -123.108 -90.2268 -60.3174 75.4944 -123.106 75.4939 -109.761 GPRESSURE: 3255000 237.657 -47.7811 -90.8139 -94.0792 -17.2874 -11.6221 -219.776 157.099 -101.212 PRESSAVG: 3255000 -8.91491 15.2936 3.94815 15.2936 46.7347 -57.0652 3.94806 -57.0652 -10.2722 GPRESSAVG: 3255000 -10.0421 14.3948 3.03938 15.4559 47.3374 -57.1539 5.56986 -55.606 -9.75782 TIMING: 3255000 CPU: 9433.72, 0.00290788/step Wall: 9433.72, 0.00290788/step, 1.40952 hours remaining, 209.621094 MB of memory in use. ENERGY: 3255000 727.6699 2080.7561 1960.1959 103.1414 -206517.4169 17994.5661 0.0000 0.0000 34280.7847 -149370.3028 299.3826 -183651.0874 -149270.3957 299.4062 5.4027 39.7190 557883.2499 9.1825 9.1792 PRESSURE: 3255200 -66.1757 -49.4027 -160.051 -49.4028 245.051 -44.6049 -160.052 -44.6044 58.9669 GPRESSURE: 3255200 -37.7927 -45.1943 -238.462 -22.1449 223.652 -64.3084 -116.789 58.1233 146.497 PRESSAVG: 3255200 -18.9149 14.9661 -17.903 14.9662 18.4304 -47.7367 -17.9031 -47.7366 17.5231 GPRESSAVG: 3255200 -18.278 15.9881 -17.1606 16.4271 17.4317 -47.1596 -19.9438 -51.1265 17.6257 TIMING: 3255200 CPU: 9434.3, 0.00289408/step Wall: 9434.3, 0.00289408/step, 1.40267 hours remaining, 209.621094 MB of memory in use. ENERGY: 3255200 731.2029 2103.3288 1943.0334 108.2492 -206356.6723 17879.3303 0.0000 0.0000 34318.5636 -149272.9642 299.7126 -183591.5278 -149178.3858 298.6568 79.2808 110.7853 558594.3693 5.6795 5.5931 PRESSURE: 3255400 143.253 230.706 8.57746 230.706 -99.9485 63.4925 8.57684 63.4913 -51.5054 GPRESSURE: 3255400 158.917 211.825 -5.14305 248.44 -26.0256 81.66 -15.6487 108.012 -51.4336 PRESSAVG: 3255400 46.0961 47.3705 -36.3978 47.3705 -2.38206 21.1593 -36.3978 21.1594 -37.399 GPRESSAVG: 3255400 47.1297 49.0398 -36.5905 45.4865 -2.3101 20.4148 -36.7753 23.4436 -38.2867 TIMING: 3255400 CPU: 9434.89, 0.00292201/step Wall: 9434.89, 0.00292201/step, 1.41604 hours remaining, 209.621094 MB of memory in use. ENERGY: 3255400 752.4507 2131.3048 1963.6813 108.3499 -206765.7726 17993.4379 0.0000 0.0000 34375.8444 -149440.7036 300.2128 -183816.5481 -149347.4779 299.6444 -2.7335 27.1526 558660.2320 2.1050 2.1776 PRESSURE: 3255600 -193.712 18.3519 131.653 18.3512 -241.56 155.883 131.652 155.882 65.5799 GPRESSURE: 3255600 -198.744 78.5497 203.091 -9.83378 -190.402 76.2543 132.107 169.131 121.939 PRESSAVG: 3255600 -60.8625 -15.8572 27.7338 -15.8572 -4.50361 4.73601 27.7338 4.73616 48.1651 GPRESSAVG: 3255600 -59.9827 -18.4318 31.6012 -16.6678 -4.39181 4.93012 27.1698 3.24606 47.204 TIMING: 3255600 CPU: 9435.47, 0.00291305/step Wall: 9435.47, 0.00291305/step, 1.41154 hours remaining, 209.621094 MB of memory in use. ENERGY: 3255600 726.4923 2036.9142 1945.6828 111.1051 -206064.1991 17629.3748 0.0000 0.0000 34143.8387 -149470.7912 298.1866 -183614.6299 -149375.2220 298.7433 -123.2308 -89.0689 557912.8098 -5.7337 -5.7235 PRESSURE: 3255800 -145.751 -19.3931 -135.095 -19.3938 97.5343 -15.1108 -135.094 -15.1115 3.25053 GPRESSURE: 3255800 -140.963 -82.3064 -104.013 142.791 160.303 12.6446 -180.869 -31.2391 31.0989 PRESSAVG: 3255800 -55.3915 -3.69896 -13.5811 -3.6988 34.1807 3.38792 -13.5811 3.38799 15.3128 GPRESSAVG: 3255800 -55.9776 -2.5885 -17.0513 -0.395224 34.4274 3.04566 -12.0786 4.61975 15.437 TIMING: 3255800 CPU: 9436.05, 0.00291748/step Wall: 9436.05, 0.00291748/step, 1.41352 hours remaining, 209.621094 MB of memory in use. ENERGY: 3255800 733.0064 2071.6613 1944.9583 111.1594 -206400.4292 17857.4321 0.0000 0.0000 34147.2112 -149535.0003 298.2161 -183682.2115 -149443.8044 298.2277 -14.9888 16.8129 557735.2882 -1.9660 -2.0378 PRESSURE: 3256000 -154.673 -137.863 39.9783 -137.864 46.975 -5.70995 39.9781 -5.70958 -172.352 GPRESSURE: 3256000 -128.845 -120.391 94.0691 -138.076 95.1163 120.544 -34.0675 -43.9404 -146.709 PRESSAVG: 3256000 -69.1974 -45.8205 -27.819 -45.8206 27.8918 -17.089 -27.8191 -17.0891 51.6757 GPRESSAVG: 3256000 -68.5788 -46.3321 -28.3299 -46.4683 26.9233 -15.8229 -26.2799 -16.8608 52.1042 TIMING: 3256000 CPU: 9436.63, 0.00289908/step Wall: 9436.63, 0.00289908/step, 1.40444 hours remaining, 209.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3256000 752.5076 2070.2586 1947.1481 99.9548 -206357.1619 17757.2198 0.0000 0.0000 33948.0868 -149781.9863 296.4771 -183730.0731 -149686.4517 297.9305 -93.3499 -60.1457 557267.3344 3.4567 3.4829 PRESSURE: 3256200 194.148 121.733 -32.2395 121.733 85.1546 41.1243 -32.2393 41.1219 358.113 GPRESSURE: 3256200 257.346 170.35 -129.796 146.051 106.504 38.3993 -16.8773 7.6561 375.746 PRESSAVG: 3256200 3.58442 26.3584 36.4232 26.3585 26.3375 4.98149 36.4233 4.98146 -7.97684 GPRESSAVG: 3256200 2.53737 26.7833 39.2077 23.6617 26.7999 3.47805 34.2573 5.60221 -7.51972 TIMING: 3256200 CPU: 9437.21, 0.00289874/step Wall: 9437.21, 0.00289874/step, 1.40412 hours remaining, 209.707031 MB of memory in use. ENERGY: 3256200 743.2066 2117.4409 1946.0548 123.0264 -206716.1566 18045.7865 0.0000 0.0000 34163.7275 -149576.9139 298.3603 -183740.6414 -149483.7499 297.7300 212.4719 246.5321 557034.8819 7.3150 7.2725 LDB: ============= START OF LOAD BALANCING ============== 9440.6 LDB: ============== END OF LOAD BALANCING =============== 9440.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9440.6 LDB: ============= START OF LOAD BALANCING ============== 9440.89 LDB: Largest compute 4772 load 0.022027 is 18.7% of average load 0.118063 LDB: Average compute 0.001732 is 1.5% of average load 0.118063 LDB: TIME 9440.89 LOAD: AVG 0.118063 MAX 0.181671 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.328 MB LDB: TIME 9440.89 LOAD: AVG 0.118063 MAX 0.181671 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.336 MB LDB: TIME 9440.89 LOAD: AVG 0.118063 MAX 0.181671 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9440.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9440.9 PRESSURE: 3256400 47.7141 54.1397 -20.6535 54.1395 44.3471 38.2779 -20.6537 38.2774 -3.28742 GPRESSURE: 3256400 78.323 115.714 7.56525 15.5689 113.786 -1.21172 -5.61118 19.3131 -16.5018 PRESSAVG: 3256400 43.6437 -24.957 13.7933 -24.9571 -0.274619 -27.0786 13.7933 -27.0785 -25.3854 GPRESSAVG: 3256400 43.7558 -24.1069 12.1892 -22.1904 0.758613 -24.9313 15.2837 -28.6627 -26.9345 TIMING: 3256400 CPU: 9437.8, 0.00296837/step Wall: 9437.8, 0.00296837/step, 1.43768 hours remaining, 210.714844 MB of memory in use. ENERGY: 3256400 743.1390 2088.1416 1957.8390 105.1312 -206590.3517 17994.4673 0.0000 0.0000 34259.8130 -149441.8205 299.1995 -183701.6335 -149349.5941 298.3620 29.5913 58.5358 557177.6117 5.9946 5.8600 PRESSURE: 3256600 -42.6439 -182.009 106.349 -182.01 -36.3722 -35.3771 106.349 -35.3779 -53.7158 GPRESSURE: 3256600 -31.7766 -154.28 80.8146 -170.71 22.9038 16.3818 21.3301 40.7257 -28.9654 PRESSAVG: 3256600 -25.6383 -59.5529 0.529828 -59.5529 1.16982 2.45313 0.529877 2.45303 29.3268 GPRESSAVG: 3256600 -26.1773 -60.6339 0.291018 -60.4096 1.55132 2.19385 0.224526 3.87179 29.3083 TIMING: 3256600 CPU: 9438.38, 0.00290177/step Wall: 9438.38, 0.00290177/step, 1.40526 hours remaining, 210.785156 MB of memory in use. ENERGY: 3256600 773.3390 2090.5428 1955.5195 101.6493 -206289.5203 17929.1237 0.0000 0.0000 34293.8482 -149145.4977 299.4967 -183439.3459 -149056.5998 299.3826 -44.2440 -12.6127 557384.2502 1.6194 1.5608 PRESSURE: 3256800 -321.463 -62.5722 -123.522 -62.5702 92.3545 -166.22 -123.522 -166.221 -103.995 GPRESSURE: 3256800 -235.473 -46.5218 -60.7866 17.9236 145.091 -205.122 -174.08 -67.2746 -147.281 PRESSAVG: 3256800 -22.4163 1.32627 -4.40807 1.32641 31.4875 18.1066 -4.40811 18.1066 43.7423 GPRESSAVG: 3256800 -23.3042 0.848552 -4.31857 2.63217 31.1498 17.6171 -5.16677 17.5025 44.4603 TIMING: 3256800 CPU: 9438.97, 0.00290326/step Wall: 9438.97, 0.00290326/step, 1.40582 hours remaining, 210.785156 MB of memory in use. ENERGY: 3256800 774.9525 2009.5804 1993.0709 109.5501 -206122.7967 17687.2856 0.0000 0.0000 34265.9854 -149282.3718 299.2534 -183548.3572 -149192.9033 299.4845 -111.0345 -79.2213 557397.8244 17.6045 17.4353 PRESSURE: 3257000 -20.1594 16.983 -23.452 16.9825 -24.7201 -159.784 -23.4513 -159.784 107.407 GPRESSURE: 3257000 1.28305 -36.9736 78.2412 -19.2619 58.0133 -170.251 -45.2788 -64.2642 102.076 PRESSAVG: 3257000 -84.8505 -3.77672 -36.3757 -3.77673 6.39769 -40.1577 -36.3757 -40.1577 32.5411 GPRESSAVG: 3257000 -83.7877 -2.95277 -37.3403 -7.00195 5.1748 -39.5631 -35.8085 -39.8579 33.042 TIMING: 3257000 CPU: 9439.54, 0.00289088/step Wall: 9439.54, 0.00289088/step, 1.39967 hours remaining, 210.785156 MB of memory in use. ENERGY: 3257000 749.2842 2042.6821 1936.5642 112.1406 -206650.9225 17980.0396 0.0000 0.0000 34451.5714 -149378.6404 300.8741 -183830.2118 -149279.1778 299.4747 20.8426 53.7909 556440.1238 -15.3039 -15.1903 PRESSURE: 3257200 122.021 -138.908 191.423 -138.909 284.352 7.79727 191.424 7.79678 -106.824 GPRESSURE: 3257200 99.9963 -202.834 124.415 -104.052 305.308 -24.9938 182.044 31.5012 -2.28599 PRESSAVG: 3257200 -29.7668 1.01687 -0.938498 1.01694 67.6158 56.4247 -0.938488 56.4247 5.47535 GPRESSAVG: 3257200 -30.2323 0.515985 0.892681 3.71305 68.449 56.3101 -1.30505 54.9662 4.9931 TIMING: 3257200 CPU: 9440.12, 0.00289293/step Wall: 9440.12, 0.00289292/step, 1.4005 hours remaining, 210.785156 MB of memory in use. ENERGY: 3257200 729.3815 2121.2785 1933.4142 104.2381 -206297.1324 17993.0321 0.0000 0.0000 34134.8555 -149280.9325 298.1082 -183415.7880 -149182.0735 299.2761 99.8498 134.3394 556701.7318 14.4415 14.4033 PRESSURE: 3257400 89.5725 -79.282 94.2375 -79.2806 33.9572 -11.0503 94.2383 -11.0485 321.106 GPRESSURE: 3257400 128.204 -64.5518 83.9705 -100.021 108.399 -43.1053 132.006 3.57712 317.669 PRESSAVG: 3257400 -31.4171 7.44019 33.5029 7.44017 19.937 3.55533 33.5029 3.55534 8.07741 GPRESSAVG: 3257400 -31.6122 8.24918 31.4276 6.73582 20.2782 3.13222 33.4652 3.59574 7.723 TIMING: 3257400 CPU: 9440.7, 0.00289568/step Wall: 9440.7, 0.00289568/step, 1.40167 hours remaining, 210.785156 MB of memory in use. ENERGY: 3257400 752.0754 2052.6929 1932.6995 116.9554 -206487.8504 18006.3425 0.0000 0.0000 34235.7350 -149391.3498 298.9892 -183627.0848 -149285.8085 298.9512 148.2118 184.7573 555082.5257 -1.1342 -1.2037 PRESSURE: 3257600 -240.131 3.24053 130.946 3.2392 -231.315 0.140383 130.945 0.140899 -159.343 GPRESSURE: 3257600 -193.965 34.5334 190.346 54.4997 -207.448 -63.5694 151.99 41.7813 -128.965 PRESSAVG: 3257600 -47.4688 -32.4455 64.2334 -32.4456 -21.7301 -11.1056 64.2333 -11.1055 72.7883 GPRESSAVG: 3257600 -47.7365 -30.8297 64.5813 -32.3308 -22.025 -11.2506 65.9996 -9.44038 73.8419 TIMING: 3257600 CPU: 9441.28, 0.00289253/step Wall: 9441.28, 0.00289253/step, 1.39998 hours remaining, 210.785156 MB of memory in use. ENERGY: 3257600 770.5068 2046.1429 1947.3070 123.8544 -206121.2707 17516.1028 0.0000 0.0000 34309.3110 -149408.0458 299.6317 -183717.3567 -149309.7295 298.8149 -210.2630 -176.7925 555338.1935 1.1965 1.3601 PRESSURE: 3257800 -138.896 45.9 -42.2681 45.8991 24.3812 -196.416 -42.2673 -196.415 -119.474 GPRESSURE: 3257800 -106.954 91.6922 -82.9311 1.28144 36.1554 -135.196 -60.2359 -101.572 -56.0977 PRESSAVG: 3257800 -13.9593 -6.83168 46.2301 -6.83176 -26.2612 -29.8747 46.2302 -29.8747 53.7063 GPRESSAVG: 3257800 -12.4558 -6.75769 46.712 -7.22391 -25.9539 -31.6906 45.251 -30.9902 52.7326 TIMING: 3257800 CPU: 9441.86, 0.00288606/step Wall: 9441.86, 0.00288606/step, 1.39669 hours remaining, 210.785156 MB of memory in use. ENERGY: 3257800 762.3315 2116.1792 1971.6376 111.1395 -206358.8396 17626.2184 0.0000 0.0000 34320.9017 -149450.4316 299.7330 -183771.3333 -149356.1911 299.3468 -77.9962 -42.2987 554228.1310 4.4953 4.7743 PRESSURE: 3258000 -34.7297 169.661 -76.8082 169.662 -90.8538 78.9275 -76.8085 78.9274 -85.1059 GPRESSURE: 3258000 -11.4028 75.0428 -52.742 205.153 -50.8752 94.3152 -111.086 155.121 -39.7796 PRESSAVG: 3258000 54.8028 -10.9338 -24.8662 -10.9339 -47.6599 -2.02257 -24.8663 -2.02257 -19.379 GPRESSAVG: 3258000 54.3401 -11.6781 -24.4336 -13.091 -48.0566 0.943206 -24.688 -0.58222 -18.5141 TIMING: 3258000 CPU: 9442.44, 0.00290939/step Wall: 9442.44, 0.00290938/step, 1.40782 hours remaining, 210.785156 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: 3258000 734.5477 2073.7884 1932.3766 108.0744 -206123.6929 17647.0246 0.0000 0.0000 34264.7800 -149363.1012 299.2428 -183627.8812 -149262.0580 298.4837 -70.2298 -34.0192 556254.2927 -4.0787 -4.0769 PRESSURE: 3258200 60.6659 -188.279 -172.344 -188.278 258.197 71.2604 -172.343 71.2588 135.302 GPRESSURE: 3258200 92.2536 -196.187 -96.5304 -124.995 312.579 78.2722 -198.772 76.0671 142.583 PRESSAVG: 3258200 -77.4847 19.5567 32.8809 19.5568 36.2981 9.72254 32.8808 9.72252 75.2238 GPRESSAVG: 3258200 -77.6993 19.4817 32.1644 20.5516 36.5865 7.52135 32.604 9.78415 75.1103 TIMING: 3258200 CPU: 9443.02, 0.00288709/step Wall: 9443.02, 0.00288709/step, 1.39687 hours remaining, 210.785156 MB of memory in use. ENERGY: 3258200 762.7072 2107.4011 1947.4769 114.7862 -206603.3656 18253.5491 0.0000 0.0000 34118.7139 -149298.7311 297.9672 -183417.4451 -149206.4375 299.6239 151.3883 182.4720 556489.2289 11.3457 11.3325 PRESSURE: 3258400 -19.8481 86.5883 50.2562 86.5879 -222.632 -40.2369 50.2572 -40.2372 -201.865 GPRESSURE: 3258400 21.9396 102.314 54.1068 145.429 -191.989 -62.6968 63.0489 -57.9094 -186.048 PRESSAVG: 3258400 -16.1478 25.014 -30.4372 25.014 71.6542 -26.425 -30.4373 -26.425 -33.9744 GPRESSAVG: 3258400 -16.9695 25.8311 -33.3979 24.9366 71.7789 -27.1789 -30.3142 -26.882 -34.1143 TIMING: 3258400 CPU: 9443.6, 0.00291304/step Wall: 9443.6, 0.00291304/step, 1.40926 hours remaining, 210.785156 MB of memory in use. ENERGY: 3258400 791.7865 2077.1066 1965.7657 118.3548 -206055.2395 17656.1358 0.0000 0.0000 34167.8289 -149278.2613 298.3961 -183446.0902 -149183.2829 299.0772 -148.1151 -118.6989 556508.2681 7.1773 6.8984 PRESSURE: 3258600 -310.062 5.65273 -1.70409 5.65211 -137.556 -91.1699 -1.70258 -91.1699 -147.862 GPRESSURE: 3258600 -230.352 -38.5935 -54.7685 -4.668 -122.72 -82.0651 32.4825 -91.3052 -136.779 PRESSAVG: 3258600 56.9193 -12.3921 5.33725 -12.3921 -31.8438 -1.45523 5.33729 -1.45525 -41.1314 GPRESSAVG: 3258600 55.7692 -12.6596 5.46586 -13.5749 -30.146 0.981916 6.52045 -1.02903 -42.0085 TIMING: 3258600 CPU: 9444.18, 0.00291391/step Wall: 9444.18, 0.00291392/step, 1.40953 hours remaining, 210.785156 MB of memory in use. ENERGY: 3258600 731.0455 2077.7931 1959.6001 103.8805 -206003.1591 17523.2019 0.0000 0.0000 34282.7878 -149324.8502 299.4001 -183607.6380 -149219.1267 299.3672 -198.4933 -163.2835 556757.2833 -5.3519 -5.4618 PRESSURE: 3258800 12.7101 -213.831 31.477 -213.83 256.602 150.057 31.4769 150.057 250.208 GPRESSURE: 3258800 50.2178 -164.177 -6.69616 -241.363 271.138 186.34 107.516 64.6954 291.768 PRESSAVG: 3258800 28.8302 78.9794 55.4413 78.9795 6.91383 4.04407 55.4413 4.04405 -51.7429 GPRESSAVG: 3258800 28.6202 77.6299 58.1316 81.7198 5.68122 1.80745 54.2785 4.24559 -50.4987 TIMING: 3258800 CPU: 9444.76, 0.00291355/step Wall: 9444.76, 0.00291355/step, 1.40919 hours remaining, 210.785156 MB of memory in use. ENERGY: 3258800 699.1013 2145.8898 1990.9212 118.5483 -206523.4504 18062.0817 0.0000 0.0000 34194.6525 -149312.2555 298.6304 -183506.9081 -149219.9281 299.0523 173.1736 204.3749 556751.1458 -5.3330 -5.3991 PRESSURE: 3259000 -248.904 -61.3464 35.6664 -61.3462 13.1877 78.6689 35.6659 78.6692 -161.228 GPRESSURE: 3259000 -208.995 -80.5403 65.7543 -103.807 35.2891 32.483 42.4752 55.0035 -121.326 PRESSAVG: 3259000 -17.7901 25.3391 70.6847 25.3392 49.4034 -3.54167 70.6846 -3.54177 -6.26276 GPRESSAVG: 3259000 -16.8882 24.084 69.4869 24.6317 49.4329 -1.20759 70.1006 -4.98658 -7.22652 TIMING: 3259000 CPU: 9445.35, 0.0029167/step Wall: 9445.35, 0.0029167/step, 1.41055 hours remaining, 210.785156 MB of memory in use. ENERGY: 3259000 714.6062 2102.0356 1959.9178 117.1937 -205999.2816 17500.9580 0.0000 0.0000 34153.1518 -149451.4185 298.2680 -183604.5704 -149358.8064 298.3906 -132.3146 -98.3442 557504.2927 8.4502 8.4394 PRESSURE: 3259200 -160.428 -13.7832 202.263 -13.784 73.0186 -23.0513 202.264 -23.0511 -13.1876 GPRESSURE: 3259200 -208.24 29.3104 175.27 -64.7752 78.252 -109.991 249.759 -59.3187 111.203 PRESSAVG: 3259200 -6.66021 -51.5906 52.7685 -51.5907 53.8733 36.1217 52.7685 36.1218 -52.8476 GPRESSAVG: 3259200 -7.48288 -48.5723 53.9538 -51.6262 54.1728 33.2575 51.7509 36.1559 -51.9582 TIMING: 3259200 CPU: 9445.93, 0.00291841/step Wall: 9445.93, 0.00291841/step, 1.41122 hours remaining, 210.785156 MB of memory in use. ENERGY: 3259200 768.7034 2072.1630 1954.1901 108.3812 -206124.1115 17818.9861 0.0000 0.0000 34077.1799 -149324.5077 297.6045 -183401.6876 -149223.0956 298.3383 -33.5323 -6.2619 556128.3591 -1.8782 -1.7561 PRESSURE: 3259400 -10.0681 -13.3287 49.7601 -13.3282 -204.463 7.48429 49.7617 7.48455 -107.793 GPRESSURE: 3259400 75.7446 26.4182 5.59256 -21.8621 -185.089 4.29194 55.9603 27.25 -117.672 PRESSAVG: 3259400 -19.8358 -58.6407 41.3013 -58.6407 -63.7995 -28.5312 41.3012 -28.5312 39.1451 GPRESSAVG: 3259400 -19.3174 -60.308 41.6683 -59.8894 -64.6192 -26.4549 41.9463 -27.6187 39.5776 TIMING: 3259400 CPU: 9446.51, 0.00289561/step Wall: 9446.51, 0.00289561/step, 1.40003 hours remaining, 210.785156 MB of memory in use. ENERGY: 3259400 749.6311 2044.2714 1978.9078 115.2328 -206270.0009 17818.2812 0.0000 0.0000 34198.7566 -149364.9199 298.6662 -183563.6765 -149266.4487 298.1659 -107.4416 -75.6721 557586.8847 -14.8301 -14.7863 PRESSURE: 3259600 -181.641 -194.35 95.304 -194.351 -238.533 142.673 95.3033 142.672 -26.876 GPRESSURE: 3259600 -104.749 -196.318 15.3508 -219.692 -211.197 119.543 79.0277 45.9139 -40.6008 PRESSAVG: 3259600 16.6646 -40.009 6.89834 -40.009 -87.8348 -15.2764 6.89833 -15.2764 28.241 GPRESSAVG: 3259600 16.897 -39.0971 7.39938 -41.6155 -86.8791 -16.2105 7.56041 -14.6771 27.0447 TIMING: 3259600 CPU: 9447.09, 0.00291192/step Wall: 9447.09, 0.00291192/step, 1.40775 hours remaining, 210.785156 MB of memory in use. ENERGY: 3259600 733.9679 2170.7898 1977.0213 103.0574 -206096.7011 17550.6169 0.0000 0.0000 34193.7623 -149367.4855 298.6226 -183561.2477 -149272.3081 298.0327 -149.0168 -118.8489 557078.5794 -14.3097 -14.3125 PRESSURE: 3259800 -138.741 161.713 51.7451 161.712 195.901 -60.7809 51.7438 -60.7822 7.43022 GPRESSURE: 3259800 -138.307 191.621 60.2985 109.05 228.833 17.8947 36.4306 -74.0019 63.406 PRESSAVG: 3259800 -83.8984 11.4869 4.74615 11.4868 59.7199 30.6399 4.74615 30.64 12.231 GPRESSAVG: 3259800 -83.9343 12.0115 3.51808 13.1607 58.7844 30.5672 4.54498 30.1702 12.3667 TIMING: 3259800 CPU: 9447.68, 0.00292297/step Wall: 9447.68, 0.00292297/step, 1.41293 hours remaining, 210.785156 MB of memory in use. ENERGY: 3259800 743.2915 2129.7185 1962.3102 121.1373 -206572.8302 17929.7008 0.0000 0.0000 34178.2569 -149508.4149 298.4872 -183686.6718 -149411.1417 298.5310 21.5301 51.3106 557338.5762 -3.9825 -4.2611 PRESSURE: 3260000 -66.3718 -74.1299 77.5415 -74.1315 43.9911 -124.8 77.5424 -124.8 -172.793 GPRESSURE: 3260000 -52.3747 -134.614 25.7963 -18.8548 77.757 -63.8213 115.528 -192.713 -135.264 PRESSAVG: 3260000 38.5469 -21.1785 38.1472 -21.1785 46.5885 15.6923 38.1473 15.6923 -67.4434 GPRESSAVG: 3260000 38.6111 -23.5786 40.8025 -20.8926 46.1438 14.4816 37.1209 17.1378 -66.7668 TIMING: 3260000 CPU: 9448.26, 0.00292241/step Wall: 9448.26, 0.00292241/step, 1.4125 hours remaining, 210.785156 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: 3260000 766.2907 2129.9614 1961.2941 127.6908 -206791.1822 18061.6800 0.0000 0.0000 34222.0473 -149522.2179 298.8697 -183744.2652 -149429.9487 298.8251 -65.0579 -36.6274 558717.7483 5.8973 5.9960 PRESSURE: 3260200 90.8195 -26.6521 -93.1189 -26.6523 55.5565 188.166 -93.1189 188.167 -40.3132 GPRESSURE: 3260200 121.227 13.6851 -82.0056 -29.1517 39.2758 138.016 -38.7105 117.589 36.5613 PRESSAVG: 3260200 48.6564 -35.144 -15.4606 -35.144 -41.7973 44.9591 -15.4605 44.9591 -4.61395 GPRESSAVG: 3260200 48.4135 -33.4054 -17.6737 -34.9917 -41.3113 47.1544 -14.0677 41.9787 -4.74086 TIMING: 3260200 CPU: 9448.85, 0.0029329/step Wall: 9448.85, 0.0029329/step, 1.41741 hours remaining, 210.785156 MB of memory in use. ENERGY: 3260200 751.7550 2140.4675 1932.0853 112.2480 -206384.0985 18004.1640 0.0000 0.0000 34049.7363 -149393.6424 297.3648 -183443.3787 -149303.5031 298.4767 35.3543 65.6880 558701.0650 0.7484 0.7871 LDB: ============= START OF LOAD BALANCING ============== 9452.24 LDB: ============== END OF LOAD BALANCING =============== 9452.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9452.24 LDB: ============= START OF LOAD BALANCING ============== 9452.53 LDB: Largest compute 4772 load 0.022523 is 19.1% of average load 0.118023 LDB: Average compute 0.001731 is 1.5% of average load 0.118023 LDB: TIME 9452.53 LOAD: AVG 0.118023 MAX 0.179996 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.625 MB LDB: TIME 9452.53 LOAD: AVG 0.118023 MAX 0.179996 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.711 MB LDB: TIME 9452.53 LOAD: AVG 0.118023 MAX 0.179996 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9452.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9452.54 PRESSURE: 3260400 -46.0714 -80.6591 -118.44 -80.6597 -75.4747 55.4912 -118.439 55.4906 91.6018 GPRESSURE: 3260400 -3.53182 -134.392 -27.4914 -88.797 -51.1562 84.3828 -144.446 -18.9975 118.176 PRESSAVG: 3260400 -10.4053 53.2929 -54.5824 53.293 -0.211025 21.4357 -54.5823 21.4357 27.952 GPRESSAVG: 3260400 -10.22 51.6569 -53.7271 53.6244 -0.255624 19.4466 -55.4627 23.2133 27.6372 TIMING: 3260400 CPU: 9449.44, 0.00296607/step Wall: 9449.44, 0.00296607/step, 1.43327 hours remaining, 211.527344 MB of memory in use. ENERGY: 3260400 752.3129 2087.6459 1959.2710 99.8727 -206749.9100 18091.0038 0.0000 0.0000 34377.2404 -149382.5634 300.2250 -183759.8038 -149290.7005 299.4475 -9.9814 21.1626 558209.2253 5.7785 5.7205 PRESSURE: 3260600 3.60151 28.5448 -177.365 28.5446 -55.2452 -26.7345 -177.363 -26.7338 -160.376 GPRESSURE: 3260600 39.3399 128.18 -181.735 -15.0471 -45.8765 -19.5472 -146.423 -65.228 -105.202 PRESSAVG: 3260600 -21.762 22.6614 -48.1658 22.6613 12.8563 8.98943 -48.1658 8.98941 15.852 GPRESSAVG: 3260600 -21.1217 21.8219 -48.7158 23.9099 12.7554 10.1161 -47.2769 7.66111 15.8214 TIMING: 3260600 CPU: 9450.03, 0.00291638/step Wall: 9450.03, 0.00291638/step, 1.4091 hours remaining, 211.527344 MB of memory in use. ENERGY: 3260600 760.7522 2067.9782 1972.6865 129.4827 -206319.8751 17896.1089 0.0000 0.0000 34160.9936 -149331.8730 298.3365 -183492.8666 -149239.1520 299.4461 -70.6733 -37.2463 559648.0071 2.3154 2.4851 PRESSURE: 3260800 48.3409 -42.3195 -27.6714 -42.3183 136.483 133.214 -27.6705 133.215 47.1236 GPRESSURE: 3260800 54.6974 -32.1651 18.5259 15.9975 202.276 116.533 -42.1536 219.306 61.9464 PRESSAVG: 3260800 -15.5366 41.053 -29.5934 41.0531 51.388 17.7373 -29.5934 17.7371 -29.5149 GPRESSAVG: 3260800 -15.6578 43.2518 -28.4687 38.9813 51.5315 17.409 -29.882 17.8317 -28.7261 TIMING: 3260800 CPU: 9450.61, 0.00290398/step Wall: 9450.61, 0.00290398/step, 1.40295 hours remaining, 211.527344 MB of memory in use. ENERGY: 3260800 738.9977 2112.0660 1940.8390 110.8155 -206580.7279 18028.0573 0.0000 0.0000 34214.2564 -149435.6960 298.8016 -183649.9524 -149345.3548 298.6674 77.3157 106.3066 558165.0383 2.1122 2.3825 PRESSURE: 3261000 -68.0664 -105.63 -95.2074 -105.632 155.285 -70.4794 -95.2072 -70.4803 -403.7 GPRESSURE: 3261000 -6.56379 -46.5326 -106.248 -219.838 179.581 -68.488 -47.0349 -82.4622 -376.391 PRESSAVG: 3261000 14.2987 -60.2107 -12.8397 -60.2106 0.0465291 42.3043 -12.8397 42.3043 -25.4478 GPRESSAVG: 3261000 12.6388 -59.7597 -14.896 -59.5237 1.91163 43.531 -12.0689 43.7457 -25.0301 TIMING: 3261000 CPU: 9451.19, 0.00292165/step Wall: 9451.19, 0.00292165/step, 1.41132 hours remaining, 211.527344 MB of memory in use. ENERGY: 3261000 766.0065 2103.6482 1933.7343 125.6331 -206114.3723 17752.5274 0.0000 0.0000 34101.0471 -149331.7756 297.8129 -183432.8227 -149231.2298 298.8427 -105.4938 -67.7914 558169.1341 -3.7009 -3.4932 PRESSURE: 3261200 109.649 -36.3835 11.4733 -36.3847 242.073 -70.7029 11.4732 -70.7045 147.515 GPRESSURE: 3261200 187.271 -33.3077 -15.5796 -0.375934 224.119 -48.2957 30.2342 -93.2094 182.701 PRESSAVG: 3261200 -64.3918 26.109 6.67984 26.1091 38.1995 -13.4473 6.67979 -13.4474 14.5193 GPRESSAVG: 3261200 -63.3964 24.3196 8.54717 28.0373 38.1111 -12.8011 5.81692 -15.428 13.2252 TIMING: 3261200 CPU: 9451.77, 0.00287462/step Wall: 9451.77, 0.00287462/step, 1.38844 hours remaining, 211.527344 MB of memory in use. ENERGY: 3261200 757.7506 2130.0798 1919.7162 108.1825 -206714.6848 18168.9199 0.0000 0.0000 34149.7505 -149480.2855 298.2383 -183630.0360 -149385.6331 298.7014 166.4126 198.0302 559277.7610 -3.8910 -4.0201 PRESSURE: 3261400 -167.852 -119.978 -131.025 -119.978 -40.4536 -180.315 -131.025 -180.314 -245.347 GPRESSURE: 3261400 -124.296 -204.893 -52.6858 -104.277 -0.568354 -102.483 -222.203 -178.291 -203.442 PRESSAVG: 3261400 -21.1565 39.4271 -42.9236 39.4271 40.6441 -45.5494 -42.9236 -45.5496 -33.6724 GPRESSAVG: 3261400 -20.62 41.8928 -44.3308 37.3585 40.0058 -45.9913 -42.7739 -45.7889 -34.3056 TIMING: 3261400 CPU: 9452.35, 0.00291384/step Wall: 9452.35, 0.00291384/step, 1.40722 hours remaining, 211.527344 MB of memory in use. ENERGY: 3261400 732.6579 2058.9702 1918.2350 106.0962 -206213.9233 17705.7768 0.0000 0.0000 34406.1604 -149286.0268 300.4776 -183692.1872 -149181.3845 298.8597 -151.2175 -109.4357 559598.0389 -4.7282 -4.9733 PRESSURE: 3261600 -333.686 -14.3549 173.071 -14.3567 -268.715 107.3 173.072 107.3 -105.036 GPRESSURE: 3261600 -336.738 85.2022 183.546 -57.7301 -203.361 94.6051 200.75 115.448 -65.3179 PRESSAVG: 3261600 -34.2416 -11.2255 -8.43364 -11.2254 8.79842 -42.7649 -8.43358 -42.7649 -42.7601 GPRESSAVG: 3261600 -34.1585 -11.7513 -8.24153 -12.852 7.43607 -42.313 -8.31038 -41.2011 -41.7005 TIMING: 3261600 CPU: 9452.93, 0.00291996/step Wall: 9452.93, 0.00291996/step, 1.41002 hours remaining, 211.527344 MB of memory in use. ENERGY: 3261600 724.5562 2088.0451 1965.3203 113.8596 -206090.0275 17458.0621 0.0000 0.0000 34321.8876 -149418.2966 299.7416 -183740.1842 -149329.1871 298.7329 -235.8123 -201.8057 557469.6678 -22.7344 -22.8076 PRESSURE: 3261800 106.922 -82.1391 71.1097 -82.1386 132.989 -193.81 71.1108 -193.809 -258.102 GPRESSURE: 3261800 130.904 -53.1808 35.4281 -118.176 187.19 -158.443 151.419 -262.869 -246.064 PRESSAVG: 3261800 8.26928 11.2054 -11.802 11.2055 -17.2993 2.45559 -11.8019 2.45561 11.2072 GPRESSAVG: 3261800 9.37426 10.4703 -13.1538 14.5446 -17.7689 1.02689 -9.78634 1.7297 9.63194 TIMING: 3261800 CPU: 9453.52, 0.00292123/step Wall: 9453.52, 0.00292123/step, 1.41047 hours remaining, 211.527344 MB of memory in use. ENERGY: 3261800 789.6336 2135.7732 1900.0060 113.1074 -206468.5675 18006.0924 0.0000 0.0000 34118.3716 -149405.5834 297.9642 -183523.9550 -149307.1256 298.3458 -6.0633 24.0103 559308.7351 0.7257 0.4124 PRESSURE: 3262000 -22.2468 5.99402 -24.1629 5.99491 -352.02 11.6743 -24.1618 11.6743 -51.8424 GPRESSURE: 3262000 2.0779 -38.9788 -0.958044 78.358 -255.654 -65.0183 -80.67 93.2722 -72.1446 PRESSAVG: 3262000 32.0601 -12.5015 -7.01602 -12.5015 -9.74948 -37.5306 -7.0161 -37.5305 -49.0565 GPRESSAVG: 3262000 29.8816 -14.3395 -5.86838 -13.4918 -8.22106 -38.9831 -7.88695 -36.8369 -48.3202 TIMING: 3262000 CPU: 9454.1, 0.0029149/step Wall: 9454.1, 0.0029149/step, 1.40725 hours remaining, 211.527344 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: 3262000 722.0051 2080.7914 1937.7706 106.9255 -205925.4314 17511.2436 0.0000 0.0000 34250.7145 -149315.9808 299.1200 -183566.6952 -149224.0222 298.6099 -142.0364 -108.5735 557131.2107 -8.9153 -8.8866 PRESSURE: 3262200 17.8035 9.62222 -43.8545 9.62214 234.913 -61.8344 -43.8544 -61.8335 -53.7865 GPRESSURE: 3262200 27.803 0.727609 -92.7201 35.484 280.535 -24.1351 -27.7178 -35.3896 -17.5039 PRESSAVG: 3262200 67.6291 27.3516 9.98825 27.3517 -117.109 -5.26596 9.9884 -5.26604 56.8907 GPRESSAVG: 3262200 67.8425 28.8351 10.1698 27.1981 -116.778 -5.08981 8.19018 -4.25935 56.8321 TIMING: 3262200 CPU: 9454.68, 0.00291901/step Wall: 9454.68, 0.00291901/step, 1.40907 hours remaining, 211.585938 MB of memory in use. ENERGY: 3262200 736.7342 2103.9301 1943.1121 100.0725 -206641.0355 18111.7401 0.0000 0.0000 34097.4994 -149547.9471 297.7819 -183645.4465 -149451.0356 298.6588 66.3101 96.9447 557738.8320 2.4704 2.6321 PRESSURE: 3262400 134.583 -33.2503 -30.885 -33.2515 146.475 -64.5596 -30.8845 -64.5595 -158.573 GPRESSURE: 3262400 165.322 -41.0866 -42.9385 -71.935 196.242 -146.224 -25.3725 -6.44045 -141.359 PRESSAVG: 3262400 -44.4314 -31.1373 -7.42377 -31.1374 50.7795 30.7117 -7.42374 30.7118 -3.61483 GPRESSAVG: 3262400 -43.5248 -31.1647 -7.13658 -29.6851 50.2413 32.32 -7.04501 29.297 -3.88799 TIMING: 3262400 CPU: 9455.27, 0.00291045/step Wall: 9455.27, 0.00291045/step, 1.40478 hours remaining, 211.585938 MB of memory in use. ENERGY: 3262400 733.8805 2065.9107 1944.2160 117.1889 -206667.4364 18149.5483 0.0000 0.0000 34085.3224 -149571.3695 297.6756 -183656.6919 -149470.4203 298.8316 40.8284 73.4018 557713.9172 0.9111 0.9428 PRESSURE: 3262600 -39.9129 22.2562 99.5504 22.2553 -19.97 108.788 99.5497 108.787 64.1785 GPRESSURE: 3262600 21.6792 75.8536 105.588 -25.6718 21.3503 64.6436 129.695 169.033 70.0481 PRESSAVG: 3262600 -8.211 -27.6905 -45.5954 -27.6904 -15.4679 43.5919 -45.5955 43.5918 27.9294 GPRESSAVG: 3262600 -8.77409 -26.9182 -45.314 -30.9092 -14.6062 43.87 -46.4897 41.3474 28.3841 TIMING: 3262600 CPU: 9455.84, 0.0028791/step Wall: 9455.84, 0.0028791/step, 1.38948 hours remaining, 211.585938 MB of memory in use. ENERGY: 3262600 766.1163 2008.6817 1931.7414 117.3057 -206225.8531 17731.1737 0.0000 0.0000 34144.0141 -149526.8202 298.1882 -183670.8343 -149430.9215 297.9632 1.4319 37.6925 556200.1419 1.4168 1.6679 PRESSURE: 3262800 64.228 -91.7281 -51.6545 -91.7282 -43.6065 -100.492 -51.6538 -100.492 154.555 GPRESSURE: 3262800 98.2929 -74.6296 -57.6366 -60.3861 -12.5997 -25.6192 -84.4032 -160.726 189.913 PRESSAVG: 3262800 -32.7829 -34.4034 4.20211 -34.4034 -28.2155 -20.2237 4.20204 -20.2237 10.078 GPRESSAVG: 3262800 -32.8127 -37.0853 3.64078 -32.9418 -29.5126 -20.2907 4.48149 -16.9434 11.4612 TIMING: 3262800 CPU: 9456.42, 0.00289006/step Wall: 9456.42, 0.00289006/step, 1.39462 hours remaining, 211.585938 MB of memory in use. ENERGY: 3262800 723.9050 2059.1375 1950.6731 111.4861 -206254.6524 17910.0310 0.0000 0.0000 34094.6435 -149404.7762 297.7570 -183499.4197 -149306.8582 298.5549 58.3922 91.8688 556561.7259 -16.9735 -16.9547 PRESSURE: 3263000 -71.7091 28.4045 61.0865 28.4056 -30.6486 -95.9206 61.0845 -95.9197 2.86344 GPRESSURE: 3263000 -1.78914 37.669 0.425555 57.4247 -14.1495 -149.466 102.795 -145.711 5.33101 PRESSAVG: 3263000 67.0045 13.8919 -19.9751 13.892 12.4663 -12.6034 -19.9751 -12.6035 -8.97166 GPRESSAVG: 3263000 67.1997 17.5692 -20.1797 12.2816 12.7253 -12.5917 -19.3016 -13.7146 -9.46349 TIMING: 3263000 CPU: 9457, 0.0028905/step Wall: 9457, 0.0028905/step, 1.39466 hours remaining, 211.585938 MB of memory in use. ENERGY: 3263000 755.3102 2125.0467 1947.5324 108.5501 -205973.8597 17741.2108 0.0000 0.0000 34137.9621 -149158.2474 298.1353 -183296.2094 -149064.9195 298.7386 -33.1648 -3.5359 557637.5689 23.4997 23.4872 PRESSURE: 3263200 -94.0164 -47.0614 -4.61456 -47.0605 -213.248 34.4184 -4.61344 34.4183 -260.37 GPRESSURE: 3263200 -126.078 39.2119 -69.1607 9.52627 -119.377 31.5231 74.8871 3.8661 -224.579 PRESSAVG: 3263200 77.3975 12.8668 -10.1759 12.8667 -4.94246 20.3611 -10.1759 20.361 -101.551 GPRESSAVG: 3263200 77.6214 11.6221 -10.531 13.7603 -5.09373 20.4754 -8.16377 19.3967 -101.526 TIMING: 3263200 CPU: 9457.58, 0.00292893/step Wall: 9457.58, 0.00292893/step, 1.41305 hours remaining, 211.585938 MB of memory in use. ENERGY: 3263200 772.1686 2059.9261 1954.7905 107.7948 -206054.7300 17698.4851 0.0000 0.0000 34231.9042 -149229.6606 298.9557 -183461.5649 -149136.8021 299.8556 -189.2112 -156.6781 557647.2548 -9.6986 -9.6662 PRESSURE: 3263400 -236.959 -55.1399 -25.0185 -55.1391 -151.474 -41.1205 -25.0192 -41.1211 -289.018 GPRESSURE: 3263400 -195.028 15.4487 -40.1367 -56.8975 -161.45 -135.136 51.0762 -16.4157 -214.867 PRESSAVG: 3263400 -20.7789 -7.21931 -43.5775 -7.2193 28.4868 10.2478 -43.5774 10.2478 -73.2913 GPRESSAVG: 3263400 -20.5048 -9.32306 -41.7869 -5.88538 29.2896 8.18105 -44.6799 11.1422 -74.5468 TIMING: 3263400 CPU: 9458.17, 0.00292438/step Wall: 9458.17, 0.00292438/step, 1.41069 hours remaining, 211.585938 MB of memory in use. ENERGY: 3263400 762.5711 2118.0593 1932.4505 118.2363 -206343.6797 17676.1496 0.0000 0.0000 34386.2389 -149349.9740 300.3036 -183736.2129 -149251.0760 299.0236 -225.8170 -190.4481 557713.4413 -21.8611 -21.9207 PRESSURE: 3263600 -21.8688 -29.4604 -19.4752 -29.4607 415.641 25.8298 -19.4746 25.829 33.8351 GPRESSURE: 3263600 28.6212 -71.0348 -57.3825 -30.3206 473.269 68.586 48.0505 85.4759 26.9555 PRESSAVG: 3263600 -39.779 -17.7275 -36.6252 -17.7274 39.6785 23.1481 -36.6252 23.148 9.48169 GPRESSAVG: 3263600 -41.0662 -16.2565 -37.0442 -15.9861 40.616 24.0805 -36.5634 24.932 9.68296 TIMING: 3263600 CPU: 9458.75, 0.00290408/step Wall: 9458.75, 0.00290408/step, 1.40073 hours remaining, 211.585938 MB of memory in use. ENERGY: 3263600 735.6448 2132.1054 1940.1986 119.9556 -206566.9512 18081.1211 0.0000 0.0000 34306.7106 -149251.2151 299.6090 -183557.9257 -149150.2753 299.4395 142.5359 176.2819 557147.5721 3.1271 3.0776 PRESSURE: 3263800 28.2202 57.7153 -197.256 57.7139 56.1942 58.7469 -197.256 58.7477 -59.4855 GPRESSURE: 3263800 124.812 17.2298 -198.482 95.4851 3.36915 46.8335 -113.369 115.497 -0.258115 PRESSAVG: 3263800 65.8868 10.6764 -8.49733 10.6763 -17.2083 -18.1051 -8.49729 -18.1051 -31.0588 GPRESSAVG: 3263800 67.2544 11.7697 -8.57111 6.00967 -19.1343 -18.6663 -8.61165 -17.3397 -30.3269 TIMING: 3263800 CPU: 9459.33, 0.00290585/step Wall: 9459.33, 0.00290585/step, 1.40143 hours remaining, 211.585938 MB of memory in use. ENERGY: 3263800 748.8041 2158.4973 1961.7232 120.6581 -206204.8878 17857.4180 0.0000 0.0000 34155.3140 -149202.4733 298.2869 -183357.7872 -149110.2238 299.4340 8.3096 42.6410 558313.9938 5.8732 5.9311 PRESSURE: 3264000 -48.5199 -81.2716 135.184 -81.2715 -97.899 -98.1461 135.184 -98.1457 82.8744 GPRESSURE: 3264000 -34.0391 -185.705 109.82 21.9108 -67.8754 -126.356 137.516 -131.933 151.103 PRESSAVG: 3264000 53.5593 19.7922 25.9657 19.7922 -28.4583 -22.0262 25.9656 -22.0262 -39.0785 GPRESSAVG: 3264000 53.5255 20.3292 26.6017 20.2433 -27.3904 -20.1392 27.0358 -24.779 -39.7314 TIMING: 3264000 CPU: 9459.91, 0.0029141/step Wall: 9459.91, 0.0029141/step, 1.40524 hours remaining, 211.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3264000 730.8917 2055.2774 1972.1017 109.4043 -206410.6577 17899.1985 0.0000 0.0000 34441.6411 -149202.1430 300.7874 -183643.7841 -149101.5702 299.3441 -21.1815 16.3960 558664.9252 -4.6591 -4.5321 PRESSURE: 3264200 -117.221 -1.91938 224.671 -1.92023 -17.3117 -33.8312 224.672 -33.8308 -246.1 GPRESSURE: 3264200 -72.0725 4.35235 272.96 -23.9419 21.3067 -104.387 154.25 -17.7655 -236.45 PRESSAVG: 3264200 14.5859 5.54304 12.8996 5.54301 -70.6989 -37.1894 12.8996 -37.1895 41.4431 GPRESSAVG: 3264200 14.6149 5.67108 12.0608 4.97688 -70.6366 -39.4984 11.5094 -36.3408 41.328 TIMING: 3264200 CPU: 9460.5, 0.00292152/step Wall: 9460.5, 0.00292152/step, 1.40866 hours remaining, 211.585938 MB of memory in use. ENERGY: 3264200 784.0724 2062.7293 1947.3022 114.8979 -206172.9426 17821.6633 0.0000 0.0000 34149.1849 -149293.0926 298.2333 -183442.2775 -149200.7461 298.7391 -126.8777 -95.7385 558374.8446 -4.8900 -4.8979 LDB: ============= START OF LOAD BALANCING ============== 9463.89 LDB: ============== END OF LOAD BALANCING =============== 9463.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9463.89 LDB: ============= START OF LOAD BALANCING ============== 9464.18 LDB: Largest compute 4772 load 0.024646 is 20.9% of average load 0.117944 LDB: Average compute 0.001739 is 1.5% of average load 0.117944 LDB: TIME 9464.19 LOAD: AVG 0.117944 MAX 0.180127 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.754 MB LDB: TIME 9464.19 LOAD: AVG 0.117944 MAX 0.180127 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.996 MB LDB: TIME 9464.19 LOAD: AVG 0.117944 MAX 0.180127 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.996 MB LDB: ============== END OF LOAD BALANCING =============== 9464.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9464.19 PRESSURE: 3264400 122.6 -110.189 -10.3045 -110.189 -102.092 -56.9384 -10.3056 -56.9388 -199.556 GPRESSURE: 3264400 72.1379 -21.3835 -22.5147 -94.291 -33.0893 -50.8509 45.139 -43.2312 -122.072 PRESSAVG: 3264400 11.8742 -37.5221 75.2295 -37.522 39.0039 42.0702 75.2295 42.0702 -13.5408 GPRESSAVG: 3264400 11.7016 -38.6254 73.995 -35.529 38.927 42.164 76.0208 41.3517 -14.1694 TIMING: 3264400 CPU: 9461.1, 0.00300199/step Wall: 9461.1, 0.00300199/step, 1.44729 hours remaining, 211.507812 MB of memory in use. ENERGY: 3264400 735.5490 2054.0052 1950.4644 118.0840 -206499.8387 17811.1978 0.0000 0.0000 34290.7993 -149539.7389 299.4701 -183830.5382 -149438.1074 298.9108 -59.6831 -27.6744 557742.1514 12.4458 12.1531 PRESSURE: 3264600 31.7799 133.468 -72.8467 133.468 -292.004 40.5517 -72.845 40.5514 29.5352 GPRESSURE: 3264600 65.0034 69.747 -86.6314 128.175 -247.501 26.0315 -59.4039 16.4312 60.8967 PRESSAVG: 3264600 16.0429 29.6935 22.6028 29.6935 -7.31772 5.10213 22.6027 5.10206 14.486 GPRESSAVG: 3264600 15.3732 29.6685 24.8838 29.3488 -7.02123 6.79517 21.5731 2.33176 15.1634 TIMING: 3264600 CPU: 9461.69, 0.00297635/step Wall: 9461.69, 0.00297635/step, 1.43476 hours remaining, 211.707031 MB of memory in use. ENERGY: 3264600 729.8961 2093.0777 1917.5138 109.6800 -206489.1509 17798.3540 0.0000 0.0000 34234.1240 -149606.5053 298.9751 -183840.6293 -149498.1118 298.4636 -76.8964 -40.5337 557478.9961 7.7371 7.8385 PRESSURE: 3264800 18.5463 6.20294 -92.7188 6.20293 -15.0131 131.022 -92.7182 131.022 -260.506 GPRESSURE: 3264800 65.5071 138.901 -192.64 -37.2369 22.2805 175.73 -45.9153 199.567 -245.444 PRESSAVG: 3264800 -50.4074 65.0891 -46.249 65.0891 -1.84214 -9.01467 -46.2489 -9.01463 40.0733 GPRESSAVG: 3264800 -49.7753 65.0584 -46.4441 65.2851 -2.55176 -9.06006 -45.8342 -6.64683 39.906 TIMING: 3264800 CPU: 9462.27, 0.00290327/step Wall: 9462.27, 0.00290327/step, 1.39937 hours remaining, 211.707031 MB of memory in use. ENERGY: 3264800 751.6774 2076.3658 1959.0536 107.3528 -206453.2336 17842.0908 0.0000 0.0000 34015.9780 -149700.7151 297.0700 -183716.6932 -149605.5603 297.4990 -85.6576 -52.5521 557762.5231 -4.0587 -4.1404 PRESSURE: 3265000 -214.365 82.9791 -130.617 82.9793 -12.0827 -32.6776 -130.617 -32.6787 1.80661 GPRESSURE: 3265000 -169.273 185.106 -163.31 31.4306 33.9276 -44.689 -105.536 -13.0918 15.2362 PRESSAVG: 3265000 -57.4933 44.5117 -32.5863 44.5117 29.7812 42.917 -32.5864 42.9169 45.5395 GPRESSAVG: 3265000 -58.1983 42.924 -33.6486 46.6381 30.0688 42.5357 -31.6301 42.8073 45.3828 TIMING: 3265000 CPU: 9462.86, 0.00294502/step Wall: 9462.86, 0.00294502/step, 1.41934 hours remaining, 211.707031 MB of memory in use. ENERGY: 3265000 733.0104 2018.1982 1963.5229 111.4182 -206622.0955 17882.6924 0.0000 0.0000 34034.7999 -149878.4537 297.2344 -183913.2536 -149783.6638 297.0164 -74.8804 -40.0362 558142.6653 5.9424 5.7511 PRESSURE: 3265200 -6.34521 76.0572 50.4811 76.0557 -132.193 -73.6287 50.482 -73.6287 98.2943 GPRESSURE: 3265200 -22.2286 65.2545 76.5766 117.435 -71.1949 32.5476 119.663 -119.996 152.34 PRESSAVG: 3265200 -57.5864 -14.7872 -17.6155 -14.7871 3.88987 -44.1151 -17.6154 -44.1151 0.511314 GPRESSAVG: 3265200 -56.9074 -14.6668 -16.0511 -17.7384 3.98735 -42.1688 -17.3308 -45.4364 0.187334 TIMING: 3265200 CPU: 9463.44, 0.00290802/step Wall: 9463.44, 0.00290802/step, 1.40134 hours remaining, 211.707031 MB of memory in use. ENERGY: 3265200 707.5007 2049.6791 1958.4176 101.0811 -206475.5205 17813.6154 0.0000 0.0000 33916.2431 -149928.9835 296.1990 -183845.2266 -149835.8411 296.9832 -13.4147 19.6387 557055.3425 -17.7284 -17.5776 PRESSURE: 3265400 -69.3308 85.9893 80.8929 85.9899 115.699 68.1782 80.891 68.1785 -67.3991 GPRESSURE: 3265400 -72.6061 36.4629 162.146 104.127 187.02 61.1812 -16.1803 65.2238 -30.9352 PRESSAVG: 3265400 -59.6298 -22.1284 7.78328 -22.1284 11.355 -0.901105 7.78317 -0.901071 31.7104 GPRESSAVG: 3265400 -59.2834 -20.9941 6.51437 -20.1355 11.361 -2.67258 6.98644 0.924038 31.5788 TIMING: 3265400 CPU: 9464.03, 0.00292059/step Wall: 9464.03, 0.00292059/step, 1.40724 hours remaining, 211.707031 MB of memory in use. ENERGY: 3265400 741.6726 2036.1770 1990.2677 104.0696 -206576.7708 17849.9370 0.0000 0.0000 34108.9954 -149745.6515 297.8823 -183854.6469 -149659.0399 297.3133 -7.0102 27.8261 556882.7509 -5.5215 -5.4479 PRESSURE: 3265600 -2.22186 179.627 73.8307 179.627 435.547 7.85058 73.8307 7.85134 271.422 GPRESSURE: 3265600 39.1679 211.127 55.1002 236.524 438.876 22.5343 116.197 61.7201 325.472 PRESSAVG: 3265600 -78.8469 44.0043 14.3732 44.0043 42.4683 43.5059 14.3732 43.5058 56.2382 GPRESSAVG: 3265600 -79.726 44.1087 16.2132 42.5426 42.6621 43.3931 13.9457 44.2989 56.9604 TIMING: 3265600 CPU: 9464.61, 0.00293105/step Wall: 9464.61, 0.00293105/step, 1.41212 hours remaining, 211.707031 MB of memory in use. ENERGY: 3265600 735.0102 2026.0349 1955.3633 120.9858 -206864.0849 18198.8407 0.0000 0.0000 33989.2384 -149838.6116 296.8365 -183827.8500 -149746.8289 297.1134 234.9156 267.8384 555540.3425 6.6199 6.6322 PRESSURE: 3265800 -20.0055 -11.7785 -117.142 -11.7777 223.778 5.06868 -117.142 5.06882 -84.3459 GPRESSURE: 3265800 4.67016 -17.1669 -156.956 2.82189 269.21 0.0578199 -21.2994 18.7392 -42.8785 PRESSAVG: 3265800 -13.0368 -7.14619 -25.5984 -7.14616 44.3444 36.3078 -25.5983 36.3077 17.8392 GPRESSAVG: 3265800 -11.0329 -7.4843 -26.0139 -7.36097 42.8924 36.1539 -27.2389 34.535 16.292 TIMING: 3265800 CPU: 9465.2, 0.00292637/step Wall: 9465.2, 0.00292637/step, 1.4097 hours remaining, 211.707031 MB of memory in use. ENERGY: 3265800 749.7140 2046.3173 1940.5322 115.0994 -206616.7666 17834.5479 0.0000 0.0000 34162.7706 -149767.7853 298.3520 -183930.5559 -149668.6556 296.8950 39.8089 77.0005 557340.9879 16.3823 16.0505 PRESSURE: 3266000 -336.478 154.502 33.4384 154.503 -217.855 160.696 33.4392 160.696 90.339 GPRESSURE: 3266000 -280.521 140.666 89.2912 224.12 -193.857 161.57 41.3427 167.064 111.679 PRESSAVG: 3266000 -28.9616 36.5067 -23.1663 36.5067 -13.0568 67.6845 -23.1662 67.6844 -17.5751 GPRESSAVG: 3266000 -29.991 37.2658 -23.2227 37.141 -12.6854 68.8414 -20.1946 66.282 -17.1315 TIMING: 3266000 CPU: 9465.79, 0.00293359/step Wall: 9465.79, 0.00293359/step, 1.41301 hours remaining, 211.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3266000 731.9864 2092.3646 1957.5378 103.8270 -206047.8030 17661.7608 0.0000 0.0000 34062.6401 -149437.6864 297.4775 -183500.3265 -149344.5950 297.8645 -154.6648 -120.8998 558388.3918 -19.8645 -19.9360 PRESSURE: 3266200 -63.9956 53.9838 61.4359 53.9842 4.80325 40.0062 61.436 40.0056 140.342 GPRESSURE: 3266200 -30.955 44.2134 87.7864 150.685 68.5143 3.51695 9.05268 22.9196 155.668 PRESSAVG: 3266200 -19.93 18.3609 -46.7837 18.3609 -8.38438 -12.7235 -46.7836 -12.7235 33.0046 GPRESSAVG: 3266200 -20.8028 16.5569 -50.0127 18.4071 -7.20415 -12.5667 -46.7399 -9.5949 33.1703 TIMING: 3266200 CPU: 9466.37, 0.00289626/step Wall: 9466.37, 0.00289626/step, 1.39487 hours remaining, 211.707031 MB of memory in use. ENERGY: 3266200 779.0839 2134.3906 1965.6862 120.5145 -206049.2460 17672.5768 0.0000 0.0000 34219.3305 -149157.6634 298.8459 -183376.9939 -149061.6568 298.9000 27.0498 64.4092 556280.5393 1.5634 1.7211 PRESSURE: 3266400 77.419 -63.0184 -1.73632 -63.0197 -78.0201 93.9588 -1.73673 93.9584 -305.177 GPRESSURE: 3266400 113.053 -46.105 -32.9647 -74.8609 -4.1841 4.04493 21.6276 46.0356 -305.104 PRESSAVG: 3266400 17.3073 -7.14266 -27.8706 -7.14271 -19.5869 -61.9326 -27.8706 -61.9326 -10.647 GPRESSAVG: 3266400 17.2099 -6.74323 -26.9101 -5.89071 -19.3504 -63.5213 -27.9918 -62.1219 -11.0175 TIMING: 3266400 CPU: 9466.94, 0.00289873/step Wall: 9466.94, 0.00289873/step, 1.3959 hours remaining, 211.707031 MB of memory in use. ENERGY: 3266400 753.2259 2074.0859 1980.1482 111.9203 -206257.5313 17658.5522 0.0000 0.0000 34451.8412 -149227.7577 300.8765 -183679.5989 -149128.8368 299.8712 -101.9261 -65.4118 557535.9858 -4.3089 -4.3860 PRESSURE: 3266600 -19.5125 225.865 58.6622 225.865 -13.4184 33.5276 58.6624 33.5269 28.5825 GPRESSURE: 3266600 12.2617 193.919 106.631 237.534 5.91835 -10.5729 21.1667 20.8935 82.2082 PRESSAVG: 3266600 -48.731 22.0442 -29.9536 22.0442 18.9063 -33.6988 -29.9536 -33.6988 17.4421 GPRESSAVG: 3266600 -48.5739 22.7888 -27.8654 20.5421 18.8136 -32.5898 -34.1758 -34.2284 17.4244 TIMING: 3266600 CPU: 9467.53, 0.00290488/step Wall: 9467.53, 0.00290488/step, 1.3987 hours remaining, 211.707031 MB of memory in use. ENERGY: 3266600 784.2249 2109.7386 1970.3658 112.1124 -206510.5931 18016.3770 0.0000 0.0000 34260.9428 -149256.8316 299.2093 -183517.7744 -149163.1689 299.7156 -1.4494 33.4627 558017.0939 -4.1275 -4.1120 PRESSURE: 3266800 -213.077 -197.851 64.1015 -197.85 146.719 -221.874 64.1 -221.871 111.317 GPRESSURE: 3266800 -190.036 -137.676 148.914 -259.106 220.732 -125.11 44.8916 -261.308 109.025 PRESSAVG: 3266800 -82.4058 38.9826 8.35056 38.9825 -18.6682 -17.4329 8.35053 -17.4329 66.3558 GPRESSAVG: 3266800 -81.0253 38.1296 7.77346 39.4555 -19.6066 -17.1632 11.3189 -18.4747 66.0474 TIMING: 3266800 CPU: 9468.1, 0.00288933/step Wall: 9468.1, 0.00288933/step, 1.39105 hours remaining, 211.707031 MB of memory in use. ENERGY: 3266800 730.3266 2134.4562 1956.5389 114.3202 -206327.6159 17861.7823 0.0000 0.0000 34380.8556 -149149.3362 300.2566 -183530.1918 -149055.4350 298.9935 14.9864 46.5737 557554.2776 -11.5727 -11.5282 PRESSURE: 3267000 247.507 -58.3126 49.342 -58.3124 41.4561 161.025 49.3407 161.024 -252.378 GPRESSURE: 3267000 261.953 36.3987 79.7125 -30.4403 36.1799 97.3416 142.765 151.664 -170.574 PRESSAVG: 3267000 17.5575 -29.0318 -19.9654 -29.0319 74.1771 -2.21949 -19.9654 -2.2195 -65.3464 GPRESSAVG: 3267000 16.3714 -29.9561 -20.6251 -27.1531 74.7102 -2.38026 -20.5288 -1.74627 -64.7308 TIMING: 3267000 CPU: 9468.68, 0.00289668/step Wall: 9468.68, 0.00289668/step, 1.39443 hours remaining, 211.707031 MB of memory in use. ENERGY: 3267000 743.3913 2113.1662 1937.0752 116.5138 -206411.0964 17863.8799 0.0000 0.0000 34485.0639 -149152.0061 301.1666 -183637.0700 -149064.0667 299.5418 12.1949 42.5195 557187.2219 8.7961 8.7836 PRESSURE: 3267200 -74.8557 111.142 -47.3009 111.141 337.874 -47.28 -47.2998 -47.2786 -145.167 GPRESSURE: 3267200 -35.2402 141.241 -43.3738 153.483 351.552 -118.592 -129.589 -52.9762 -85.3649 PRESSAVG: 3267200 54.6982 35.8719 2.57985 35.8719 18.9995 25.6426 2.57987 25.6427 -48.8281 GPRESSAVG: 3267200 55.4866 37.3915 1.15619 35.0286 18.644 25.1841 6.33441 25.4915 -48.7585 TIMING: 3267200 CPU: 9469.27, 0.00291112/step Wall: 9469.27, 0.00291112/step, 1.40122 hours remaining, 211.707031 MB of memory in use. ENERGY: 3267200 745.3545 2108.0371 1935.6158 103.9531 -206304.2235 17848.6143 0.0000 0.0000 34165.4913 -149397.1575 298.3757 -183562.6487 -149300.4427 299.7239 39.2836 76.9823 556132.9292 8.2899 8.4574 PRESSURE: 3267400 -97.9329 -70.4816 -17.4877 -70.4818 -114.939 -105.145 -17.4868 -105.144 -217.615 GPRESSURE: 3267400 -51.4961 -40.5483 -3.6009 -126.2 -98.4938 5.45496 -55.2177 -154.254 -185.084 PRESSAVG: 3267400 41.7149 -22.2458 17.7577 -22.2458 -48.6393 25.6466 17.7577 25.6467 -13.4785 GPRESSAVG: 3267400 42.6145 -22.0894 17.3733 -22.5352 -49.476 25.1226 14.9286 25.75 -13.3704 TIMING: 3267400 CPU: 9469.84, 0.00288257/step Wall: 9469.84, 0.00288257/step, 1.38732 hours remaining, 211.937500 MB of memory in use. ENERGY: 3267400 722.4703 2118.8011 1944.9283 114.8478 -206229.6325 17702.4316 0.0000 0.0000 34229.9419 -149396.2115 298.9386 -183626.1534 -149306.5192 299.1287 -143.4956 -111.6914 558060.3855 -6.8010 -6.7440 PRESSURE: 3267600 -93.8226 90.2044 54.5544 90.205 -124.925 -31.4571 54.5547 -31.4556 29.0159 GPRESSURE: 3267600 -45.5839 -2.29631 45.1551 113.719 -70.5526 -132.425 56.3532 25.4975 32.8191 PRESSAVG: 3267600 -0.64797 -42.1552 -1.3322 -42.1552 40.9936 48.856 -1.3322 48.856 -31.6522 GPRESSAVG: 3267600 -2.29244 -42.8256 -0.383629 -43.0664 42.3364 50.056 -0.903581 48.3588 -31.6076 TIMING: 3267600 CPU: 9470.42, 0.00289395/step Wall: 9470.42, 0.00289395/step, 1.39263 hours remaining, 211.937500 MB of memory in use. ENERGY: 3267600 747.9268 2162.3455 1962.3735 104.4071 -206515.7306 17906.7651 0.0000 0.0000 34111.8620 -149520.0505 297.9074 -183631.9125 -149423.3007 298.2113 -63.2440 -27.7725 557855.7561 2.8978 2.8121 PRESSURE: 3267800 98.1898 -222.112 -31.78 -222.112 -97.3956 133.404 -31.7804 133.403 31.9766 GPRESSURE: 3267800 120.461 -193.468 -94.4572 -173.058 -55.643 149.269 57.9643 89.1897 69.682 PRESSAVG: 3267800 4.91833 2.97986 21.2748 2.9799 81.1805 55.6282 21.2748 55.6282 -75.8437 GPRESSAVG: 3267800 5.14098 4.8978 23.8291 3.90408 80.3018 54.9645 20.6856 54.5005 -75.6709 TIMING: 3267800 CPU: 9471, 0.00290926/step Wall: 9471, 0.00290926/step, 1.39984 hours remaining, 211.937500 MB of memory in use. ENERGY: 3267800 721.0138 2076.6803 1954.9464 109.1202 -206336.0802 17751.1496 0.0000 0.0000 34324.1918 -149398.9780 299.7617 -183723.1699 -149300.9655 298.6842 10.9236 44.8335 556792.8502 3.4184 3.2573 PRESSURE: 3268000 125.514 -29.7255 185.578 -29.7263 -180.423 158.612 185.577 158.612 175.301 GPRESSURE: 3268000 169.37 -26.2085 113.722 50.0712 -104.599 76.435 156.28 124.43 158.917 PRESSAVG: 3268000 48.018 17.3627 34.9889 17.3628 -95.9079 40.5731 34.9889 40.5729 59.9894 GPRESSAVG: 3268000 48.4991 14.7764 30.5164 16.8558 -94.7356 38.7 34.6186 42.0162 58.5206 TIMING: 3268000 CPU: 9471.58, 0.00290487/step Wall: 9471.58, 0.00290487/step, 1.39757 hours remaining, 211.937500 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: 3268000 739.4029 2134.1201 1984.6278 108.7233 -206575.0793 18004.5200 0.0000 0.0000 34202.3687 -149401.3165 298.6978 -183603.6852 -149309.4621 299.1371 40.1307 74.5628 556796.0629 4.0332 4.0947 PRESSURE: 3268200 -110.591 -54.3187 27.4604 -54.3203 -202.91 -85.9921 27.4604 -85.9928 -11.3885 GPRESSURE: 3268200 -107.523 -21.2378 -20.0256 -75.3761 -132.174 -46.7396 -10.7684 -75.0776 8.81933 PRESSAVG: 3268200 1.75492 -3.61456 16.6396 -3.61452 -54.6299 -18.9633 16.6396 -18.9634 51.8456 GPRESSAVG: 3268200 1.59196 -2.95888 18.6592 -4.51878 -54.9526 -16.4029 18.0141 -19.2815 52.4868 TIMING: 3268200 CPU: 9472.16, 0.00286699/step Wall: 9472.16, 0.00286699/step, 1.37918 hours remaining, 211.937500 MB of memory in use. ENERGY: 3268200 767.5265 2137.4922 1943.4387 115.8461 -205932.5808 17603.7811 0.0000 0.0000 34125.1247 -149239.3715 298.0232 -183364.4962 -149147.2062 299.2145 -108.2965 -76.9592 557475.4082 -0.3431 -0.2913 LDB: ============= START OF LOAD BALANCING ============== 9475.54 LDB: ============== END OF LOAD BALANCING =============== 9475.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9475.54 LDB: ============= START OF LOAD BALANCING ============== 9475.84 LDB: Largest compute 4772 load 0.022570 is 19.1% of average load 0.117996 LDB: Average compute 0.001724 is 1.5% of average load 0.117996 LDB: TIME 9475.84 LOAD: AVG 0.117996 MAX 0.176941 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.469 MB LDB: TIME 9475.84 LOAD: AVG 0.117996 MAX 0.176941 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.469 MB LDB: TIME 9475.84 LOAD: AVG 0.117996 MAX 0.176941 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.469 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9475.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9475.84 PRESSURE: 3268400 1.59277 51.836 36.8661 51.836 36.3485 -189.994 36.8654 -189.993 438.947 GPRESSURE: 3268400 -0.624171 37.1715 7.1381 61.4702 124.199 -185.171 -69.3059 -164.612 451.681 PRESSAVG: 3268400 -57.1386 -28.5894 -2.19937 -28.5894 16.5343 -59.959 -2.19928 -59.9591 -13.6338 GPRESSAVG: 3268400 -56.506 -27.4748 -2.40082 -30.3658 15.5509 -60.724 -1.68448 -61.4292 -13.3187 TIMING: 3268400 CPU: 9472.75, 0.00295708/step Wall: 9472.75, 0.00295708/step, 1.42235 hours remaining, 209.480469 MB of memory in use. ENERGY: 3268400 751.1974 2113.5911 1976.6328 121.0866 -206710.3919 18249.1572 0.0000 0.0000 34234.1351 -149264.5918 298.9752 -183498.7268 -149170.4969 299.5707 158.9627 191.7522 557847.6856 -18.0794 -18.0913 PRESSURE: 3268600 43.5144 18.6414 -155.692 18.6396 18.4997 -56.8493 -155.691 -56.8502 43.8657 GPRESSURE: 3268600 91.666 39.2248 -85.0862 21.5536 37.5093 -99.4142 -167.485 -33.7989 89.582 PRESSAVG: 3268600 -24.9641 11.2424 21.0581 11.2425 -38.5156 14.7258 21.058 14.7259 47.6484 GPRESSAVG: 3268600 -24.5068 9.53862 20.526 14.2382 -38.3619 15.4767 20.6823 15.8929 47.0351 TIMING: 3268600 CPU: 9473.32, 0.00288252/step Wall: 9473.32, 0.00288252/step, 1.38633 hours remaining, 209.550781 MB of memory in use. ENERGY: 3268600 736.0721 2091.7710 1921.1567 117.0857 -206265.3411 18000.7357 0.0000 0.0000 34319.6984 -149078.8216 299.7225 -183398.5200 -148974.9779 299.6638 35.2933 72.9191 558874.1575 -5.2771 -5.2778 PRESSURE: 3268800 -71.7575 172.273 -18.695 172.274 -168.256 -65.1164 -18.6936 -65.1163 64.8255 GPRESSURE: 3268800 -50.6426 239.082 65.5602 88.6938 -110.908 -21.1017 -39.2831 -111.464 100.561 PRESSAVG: 3268800 29.3497 21.3771 24.4674 21.377 -21.5689 7.772 24.4674 7.77204 29.4327 GPRESSAVG: 3268800 28.5325 23.1714 26.3505 21.2005 -21.4444 6.2409 23.7929 9.25955 30.0802 TIMING: 3268800 CPU: 9473.91, 0.00290173/step Wall: 9473.91, 0.00290173/step, 1.39541 hours remaining, 209.550781 MB of memory in use. ENERGY: 3268800 769.6129 2092.8671 1932.3988 115.4419 -206165.2767 17916.4708 0.0000 0.0000 34215.4448 -149123.0404 298.8120 -183338.4852 -149024.9307 299.4013 -58.3959 -20.3297 559317.7010 12.4045 12.3894 PRESSURE: 3269000 -215.846 45.3133 134.078 45.3114 -257.133 53.7321 134.078 53.7315 -265.524 GPRESSURE: 3269000 -201.919 79.7042 147.416 59.8433 -188.833 158.357 118.037 64.051 -250.152 PRESSAVG: 3269000 18.4226 -10.4103 24.8493 -10.4103 16.9472 -13.5066 24.8493 -13.5067 -21.0131 GPRESSAVG: 3269000 16.9122 -11.6214 23.8964 -11.1861 17.8411 -11.0477 25.2096 -14.4952 -20.7266 TIMING: 3269000 CPU: 9474.49, 0.0029139/step Wall: 9474.49, 0.0029139/step, 1.4011 hours remaining, 209.550781 MB of memory in use. ENERGY: 3269000 769.0060 2011.0000 1933.9603 127.6505 -205798.3013 17552.0649 0.0000 0.0000 34184.4422 -149220.1774 298.5412 -183404.6196 -149121.5256 299.2702 -246.1678 -213.6347 560868.8201 4.7856 4.6756 PRESSURE: 3269200 -84.4045 -54.3012 188.989 -54.3013 -1.04159 -45.4211 188.988 -45.4202 -68.6625 GPRESSURE: 3269200 -84.5394 -73.8894 118.091 -52.0188 19.2846 -120.358 209.515 14.9425 6.21283 PRESSAVG: 3269200 -22.5475 6.64481 89.7707 6.64482 -33.6116 7.01721 89.7708 7.01715 73.1565 GPRESSAVG: 3269200 -21.3541 7.20799 89.7728 6.67998 -34.231 4.9957 90.885 8.33481 72.7464 TIMING: 3269200 CPU: 9475.07, 0.00289575/step Wall: 9475.07, 0.00289575/step, 1.39221 hours remaining, 209.550781 MB of memory in use. ENERGY: 3269200 740.7925 2110.7087 1940.8739 114.8472 -206349.2165 17848.8386 0.0000 0.0000 34370.7893 -149222.3662 300.1687 -183593.1554 -149125.6866 299.4081 -51.3695 -19.6807 558772.8353 5.6658 5.7204 PRESSURE: 3269400 -18.0477 -52.097 -72.1996 -52.0967 -75.8676 60.3199 -72.1993 60.3209 -321.326 GPRESSURE: 3269400 -20.178 -13.8942 6.09198 -25.3081 -91.8985 106.255 16.4668 59.2145 -217.592 PRESSAVG: 3269400 28.9946 5.66616 -10.1763 5.66619 -9.88049 -29.5875 -10.1763 -29.5877 -14.9329 GPRESSAVG: 3269400 29.9212 2.18782 -10.6645 6.86542 -9.73632 -29.8993 -10.9669 -31.1189 -16.3233 TIMING: 3269400 CPU: 9475.65, 0.00289614/step Wall: 9475.65, 0.00289614/step, 1.39224 hours remaining, 209.753906 MB of memory in use. ENERGY: 3269400 716.6332 2128.2606 1919.4220 125.3997 -206169.2584 17712.6978 0.0000 0.0000 34183.4743 -149383.3709 298.5328 -183566.8452 -149287.1873 299.0315 -138.4139 -109.8896 559044.9179 1.3937 1.2872 PRESSURE: 3269600 29.3103 23.487 -115.236 23.4875 -226.762 -251.045 -115.237 -251.046 6.63064 GPRESSURE: 3269600 55.5859 8.20052 -82.4449 27.8896 -187.467 -246.127 -144.026 -239.179 52.9916 PRESSAVG: 3269600 -17.1114 16.2611 -10.4057 16.261 14.6654 -26.7395 -10.4059 -26.7396 21.0878 GPRESSAVG: 3269600 -17.5118 18.925 -10.2369 14.5027 14.7973 -24.1542 -11.9453 -29.0629 21.241 TIMING: 3269600 CPU: 9476.23, 0.00290572/step Wall: 9476.23, 0.00290572/step, 1.39668 hours remaining, 209.753906 MB of memory in use. ENERGY: 3269600 777.6106 2126.6366 1961.9487 117.3388 -206051.4849 17711.5235 0.0000 0.0000 34303.5350 -149052.8918 299.5813 -183356.4267 -148952.2802 298.5477 -63.6069 -26.2966 558542.5465 6.2139 6.1755 PRESSURE: 3269800 -251.032 72.245 40.0541 72.2458 67.2272 -15.6924 40.0549 -15.6918 5.12537 GPRESSURE: 3269800 -288.493 55.2263 181.544 9.73473 114.001 -134.835 -32.5467 108.387 85.7867 PRESSAVG: 3269800 -3.11965 35.5437 77.8039 35.5438 -58.4907 3.69624 77.8039 3.69626 73.3795 GPRESSAVG: 3269800 -3.07776 36.6669 78.7408 35.4049 -59.4865 1.44292 77.2454 5.22097 74.2372 TIMING: 3269800 CPU: 9476.81, 0.00290175/step Wall: 9476.81, 0.00290175/step, 1.39461 hours remaining, 209.753906 MB of memory in use. ENERGY: 3269800 731.3235 2166.1531 1943.3433 97.5575 -206097.0483 17580.5201 0.0000 0.0000 34217.5804 -149360.5703 298.8306 -183578.1507 -149259.6828 298.8246 -59.5600 -29.5684 558229.8504 3.9230 3.8910 PRESSURE: 3270000 96.9523 -143.863 173.537 -143.863 56.2798 -42.9864 173.537 -42.9855 181.351 GPRESSURE: 3270000 190.303 -90.7457 117.38 -39.6175 66.2305 -121.95 208.169 30.2452 158.349 PRESSAVG: 3270000 -68.2292 -6.18544 14.5986 -6.18543 21.2379 -34.5433 14.5986 -34.5433 21.1025 GPRESSAVG: 3270000 -67.8203 -6.77688 15.0663 -4.99252 21.5139 -31.397 16.2274 -35.0713 21.1489 TIMING: 3270000 CPU: 9477.38, 0.00287965/step Wall: 9477.38, 0.00287965/step, 1.38383 hours remaining, 209.753906 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: 3270000 765.5940 2101.6441 1933.7892 106.5880 -206767.8306 17999.9254 0.0000 0.0000 34250.9266 -149609.3631 299.1219 -183860.2897 -149523.9205 298.4696 111.5278 138.2942 555556.7672 -8.6296 -8.3858 PRESSURE: 3270200 107.477 -26.0379 63.0045 -26.0383 170.177 -72.5514 63.0047 -72.5519 349.935 GPRESSURE: 3270200 161.978 -57.289 73.3521 -8.30129 214.71 13.8464 89.6659 -83.2213 336.553 PRESSAVG: 3270200 -12.6601 3.03407 47.9232 3.03404 -30.285 -39.4375 47.9232 -39.4376 -7.89126 GPRESSAVG: 3270200 -12.0535 2.45513 45.6747 2.69389 -29.6631 -38.4561 49.1528 -40.415 -9.16741 TIMING: 3270200 CPU: 9477.96, 0.00288886/step Wall: 9477.96, 0.00288886/step, 1.3881 hours remaining, 209.753906 MB of memory in use. ENERGY: 3270200 751.7992 2088.0977 1970.7855 106.7287 -206752.6028 18049.9248 0.0000 0.0000 33981.3554 -149803.9115 296.7676 -183785.2668 -149708.5232 297.7943 209.1967 237.7471 554971.9517 -16.9455 -16.9613 PRESSURE: 3270400 214.53 49.2312 157.842 49.2303 167.447 -187.647 157.843 -187.647 133.946 GPRESSURE: 3270400 226.505 53.3222 149.673 78.7721 222.167 -274.706 132.658 -204.301 151.683 PRESSAVG: 3270400 -28.3081 -1.39249 8.51397 -1.39251 21.4346 11.8398 8.51401 11.8398 24.3913 GPRESSAVG: 3270400 -28.3408 -0.703232 9.90257 -1.3279 20.8961 7.44236 6.83203 13.3142 25.2962 TIMING: 3270400 CPU: 9478.55, 0.00291931/step Wall: 9478.55, 0.00291931/step, 1.40257 hours remaining, 209.753906 MB of memory in use. ENERGY: 3270400 721.4225 2130.2498 1965.9224 106.9188 -206588.6233 17972.6076 0.0000 0.0000 34038.4102 -149653.0920 297.2659 -183691.5022 -149567.2701 297.5729 171.9743 200.1183 554831.5301 5.8393 5.9505 PRESSURE: 3270600 0.614619 -280.184 -42.5932 -280.184 -139.739 -165.289 -42.5926 -165.289 -17.6682 GPRESSURE: 3270600 53.5288 -250.608 -103.132 -259.317 -101.077 -94.3607 -11.795 -219.799 -11.5213 PRESSAVG: 3270600 8.78847 19.4016 4.02088 19.4017 -18.4702 -46.1636 4.02093 -46.1635 42.6066 GPRESSAVG: 3270600 7.91012 17.8409 3.10895 20.5322 -18.3516 -45.6614 4.45783 -47.8521 42.7404 TIMING: 3270600 CPU: 9479.12, 0.00289606/step Wall: 9479.12, 0.00289606/step, 1.39123 hours remaining, 209.753906 MB of memory in use. ENERGY: 3270600 769.2657 2113.4205 1944.3611 101.4007 -206724.6137 17895.4445 0.0000 0.0000 34338.8803 -149561.8410 299.8900 -183900.7212 -149465.3280 298.7578 -52.2642 -19.6898 555579.1665 10.9750 10.7663 PRESSURE: 3270800 58.3145 97.3915 -50.8722 97.3907 179.868 -16.1971 -50.8721 -16.1969 279.077 GPRESSURE: 3270800 109.181 82.8596 -106.607 82.7227 231.236 -7.19533 -68.5106 -1.65151 277.945 PRESSAVG: 3270800 -46.4441 -3.6448 -8.37791 -3.64491 -53.3334 -13.205 -8.37794 -13.2051 79.2761 GPRESSAVG: 3270800 -45.9198 -2.81919 -6.25487 -3.51261 -53.564 -14.1198 -8.7782 -9.92184 78.8719 TIMING: 3270800 CPU: 9479.71, 0.00290507/step Wall: 9479.71, 0.00290507/step, 1.3954 hours remaining, 209.753906 MB of memory in use. ENERGY: 3270800 763.0483 2095.2631 1956.1977 109.3320 -207052.0711 18207.1089 0.0000 0.0000 34181.3289 -149739.7922 298.5140 -183921.1211 -149642.6800 298.3853 172.4199 206.1208 556141.1946 -6.8338 -6.8706 PRESSURE: 3271000 -9.24506 -133.672 -24.0439 -133.672 -105.384 -45.4014 -24.0442 -45.4014 -231.55 GPRESSURE: 3271000 102.975 -48.3434 14.4986 -169.824 -112.906 -100.714 -158.754 -95.9878 -228.013 PRESSAVG: 3271000 -20.432 -22.4866 -48.7084 -22.4866 -21.6763 6.95898 -48.7084 6.95888 33.792 GPRESSAVG: 3271000 -20.7558 -20.8765 -48.9349 -25.022 -21.2156 7.67573 -49.0435 6.75762 34.3261 TIMING: 3271000 CPU: 9480.29, 0.00291489/step Wall: 9480.29, 0.00291489/step, 1.39996 hours remaining, 209.753906 MB of memory in use. ENERGY: 3271000 728.4291 2002.6384 1952.1874 106.0037 -206373.4017 17666.4361 0.0000 0.0000 34124.8369 -149792.8701 298.0207 -183917.7070 -149696.8128 297.7548 -115.3929 -79.3147 556557.1866 -2.7721 -2.5485 PRESSURE: 3271200 284.926 15.0822 -30.6124 15.0819 -143.206 87.2864 -30.6129 87.285 -204.48 GPRESSURE: 3271200 340.863 37.6262 -84.2865 18.0536 -74.7225 36.2602 -48.3761 140.228 -209.198 PRESSAVG: 3271200 14.3586 -31.2832 33.6295 -31.2832 -30.2262 9.0047 33.6295 9.00478 -6.35212 GPRESSAVG: 3271200 15.0101 -32.7472 30.0691 -30.5719 -29.8815 10.1034 36.2672 8.52665 -7.17482 TIMING: 3271200 CPU: 9480.87, 0.00292344/step Wall: 9480.87, 0.00292344/step, 1.4039 hours remaining, 209.753906 MB of memory in use. ENERGY: 3271200 763.4867 2053.6210 1942.8204 104.2543 -206357.9271 17823.4522 0.0000 0.0000 34004.0428 -149666.2498 296.9658 -183670.2925 -149578.8173 297.1926 -20.9200 18.9808 557345.1987 -7.4066 -7.3488 PRESSURE: 3271400 248.311 25.9838 -75.2795 25.9835 328.066 -82.7247 -75.2786 -82.7238 -51.1124 GPRESSURE: 3271400 285.56 39.2941 -93.1125 39.2851 371.762 -109.959 -58.3918 -95.0763 -28.3325 PRESSAVG: 3271400 -12.021 -51.9449 23.6643 -51.945 -34.8039 -20.0008 23.6642 -20.0008 43.4958 GPRESSAVG: 3271400 -12.4888 -53.1527 25.5799 -50.3456 -34.707 -21.7068 22.8554 -19.5337 43.9635 TIMING: 3271400 CPU: 9481.46, 0.00291983/step Wall: 9481.46, 0.00291983/step, 1.402 hours remaining, 209.753906 MB of memory in use. ENERGY: 3271400 719.3348 2094.9544 1958.7764 107.7299 -206895.8828 18082.6484 0.0000 0.0000 34263.3617 -149669.0773 299.2305 -183932.4389 -149574.5409 298.0712 175.0882 209.6632 557082.6250 -1.1097 -1.0774 PRESSURE: 3271600 -180.239 -78.7604 -204.109 -78.7603 128.358 90.8876 -204.109 90.8877 -27.2247 GPRESSURE: 3271600 -129.73 8.13085 -242.691 -113.609 196.959 78.1816 -200.868 123.258 -56.875 PRESSAVG: 3271600 -14.5976 -43.4518 -17.8273 -43.4519 103.481 27.5467 -17.8274 27.5466 -45.3933 GPRESSAVG: 3271600 -14.9879 -41.7045 -18.0906 -44.5277 103.524 28.7765 -17.5233 25.1046 -44.4462 TIMING: 3271600 CPU: 9482.04, 0.002896/step Wall: 9482.04, 0.002896/step, 1.3904 hours remaining, 209.753906 MB of memory in use. ENERGY: 3271600 727.6406 2085.7779 1938.5925 102.8720 -206668.9878 17829.9126 0.0000 0.0000 34353.5591 -149630.6331 300.0182 -183984.1921 -149527.2073 298.9548 -26.3684 3.4514 557127.1506 14.4969 14.6966 PRESSURE: 3271800 -73.0277 4.86611 -28.0459 4.8669 -163.496 65.4036 -28.0452 65.4051 29.8012 GPRESSURE: 3271800 -3.42699 25.6631 54.2796 -34.5972 -143.744 51.0381 -66.841 47.0171 59.1577 PRESSAVG: 3271800 8.47728 6.03309 9.13223 6.03311 -30.9096 13.1845 9.13226 13.1846 -0.767248 GPRESSAVG: 3271800 8.65011 3.52988 10.4944 7.14702 -30.6838 12.6902 8.52364 12.7753 -1.24405 TIMING: 3271800 CPU: 9482.62, 0.00291108/step Wall: 9482.62, 0.00291108/step, 1.39748 hours remaining, 209.753906 MB of memory in use. ENERGY: 3271800 753.1922 2085.1387 1976.3780 106.8358 -206329.6665 17576.5678 0.0000 0.0000 34213.2351 -149618.3189 298.7927 -183831.5540 -149514.3779 297.3967 -68.9076 -29.3379 555984.1121 -7.7332 -7.7593 PRESSURE: 3272000 184.03 16.1811 182.849 16.1818 65.8068 173.042 182.848 173.041 -0.191604 GPRESSURE: 3272000 149.732 30.4269 101.618 33.762 132.887 120.869 219.789 111.415 66.3318 PRESSAVG: 3272000 22.9458 -11.1841 27.593 -11.1841 -66.6344 37.7847 27.593 37.7848 17.1165 GPRESSAVG: 3272000 22.4465 -7.21848 25.1813 -11.6463 -66.6285 37.7386 29.011 38.8662 17.1339 TIMING: 3272000 CPU: 9483.2, 0.00289249/step Wall: 9483.2, 0.00289249/step, 1.3884 hours remaining, 209.753906 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: 3272000 766.0089 2116.0288 1947.3048 103.0570 -206537.2585 18070.2806 0.0000 0.0000 33878.9232 -149655.6550 295.8731 -183534.5783 -149557.7019 298.1066 83.2150 116.3169 556682.1538 -8.8573 -9.0161 PRESSURE: 3272200 149.312 137.617 -27.9935 137.618 110.919 21.5464 -27.9931 21.5449 24.9274 GPRESSURE: 3272200 210.593 94.0981 -54.3666 103.857 113.645 -52.4181 121.929 43.079 59.397 PRESSAVG: 3272200 27.5229 -8.45093 32.754 -8.45093 -16.7865 -52.3612 32.7539 -52.3612 -34.6752 GPRESSAVG: 3272200 27.0739 -10.652 33.2892 -7.6198 -17.4887 -50.2606 32.652 -53.0698 -33.625 TIMING: 3272200 CPU: 9483.77, 0.00288737/step Wall: 9483.77, 0.00288737/step, 1.38578 hours remaining, 209.753906 MB of memory in use. ENERGY: 3272200 735.0452 2158.4694 1938.5176 122.9332 -206801.9423 18038.5210 0.0000 0.0000 34019.8404 -149788.6154 297.1037 -183808.4558 -149696.7973 297.6565 95.0529 127.8784 556285.3487 -7.9796 -8.0133 LDB: ============= START OF LOAD BALANCING ============== 9487.16 LDB: ============== END OF LOAD BALANCING =============== 9487.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9487.16 LDB: ============= START OF LOAD BALANCING ============== 9487.45 LDB: Largest compute 4772 load 0.023878 is 20.2% of average load 0.117979 LDB: Average compute 0.001726 is 1.5% of average load 0.117979 LDB: TIME 9487.46 LOAD: AVG 0.117979 MAX 0.178522 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.734 MB LDB: TIME 9487.46 LOAD: AVG 0.117979 MAX 0.178522 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.938 MB LDB: TIME 9487.46 LOAD: AVG 0.117979 MAX 0.178522 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.938 MB LDB: ============== END OF LOAD BALANCING =============== 9487.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9487.46 PRESSURE: 3272400 111.508 -14.7006 45.7575 -14.699 42.3855 -84.8347 45.7563 -84.8361 165.204 GPRESSURE: 3272400 117.112 -79.1151 66.6412 -9.19917 98.4278 -67.2455 88.8372 -146.866 196.671 PRESSAVG: 3272400 2.35378 -14.9839 -81.006 -14.9838 -55.5116 -109.356 -81.0061 -109.356 42.4787 GPRESSAVG: 3272400 3.92734 -13.6722 -79.7814 -16.7025 -55.7891 -109.596 -81.3316 -109.134 41.4922 TIMING: 3272400 CPU: 9484.37, 0.00295491/step Wall: 9484.37, 0.00295491/step, 1.41803 hours remaining, 211.015625 MB of memory in use. ENERGY: 3272400 717.0158 2085.6332 1951.6205 120.0867 -207107.2080 18165.6637 0.0000 0.0000 34135.6236 -149931.5645 298.1149 -184067.1882 -149832.7852 296.8846 106.3658 137.4036 556388.1222 -3.5597 -3.4565 PRESSURE: 3272600 -286.157 -103.108 -63.0524 -103.107 -332.66 -21.3188 -63.0538 -21.3196 -287.304 GPRESSURE: 3272600 -295.894 -86.0851 -59.0891 -98.7431 -279.116 -33.4032 -76.6586 45.443 -226.182 PRESSAVG: 3272600 -36.3524 -18.355 -53.1049 -18.355 5.60804 -35.163 -53.1049 -35.1629 8.28384 GPRESSAVG: 3272600 -37.6314 -18.8166 -53.2744 -18.7485 6.32926 -36.8708 -53.948 -32.6147 8.48961 TIMING: 3272600 CPU: 9484.94, 0.00289671/step Wall: 9484.94, 0.00289671/step, 1.38994 hours remaining, 211.015625 MB of memory in use. ENERGY: 3272600 792.1320 2073.5449 1944.0923 110.0113 -206590.3830 17597.6948 0.0000 0.0000 34145.6221 -149927.2858 298.2022 -184072.9079 -149837.0867 297.4824 -302.0404 -267.0639 557154.3837 -7.4868 -7.6042 PRESSURE: 3272800 293.989 -160.877 -57.5838 -160.878 145.374 -34.2592 -57.5849 -34.2588 -55.3717 GPRESSURE: 3272800 344.473 -243.47 -34.9706 -21.4304 185.597 15.3611 -123.603 -30.359 -41.0774 PRESSAVG: 3272800 -20.8141 -18.0215 -44.607 -18.0215 49.5674 -1.14154 -44.607 -1.1414 -21.6332 GPRESSAVG: 3272800 -20.7634 -17.8049 -45.682 -20.2452 49.8373 -1.421 -44.2745 -3.121 -22.3167 TIMING: 3272800 CPU: 9485.52, 0.00288558/step Wall: 9485.52, 0.00288558/step, 1.38444 hours remaining, 211.015625 MB of memory in use. ENERGY: 3272800 742.2193 2042.7472 1926.1634 117.8269 -206787.0063 18133.9072 0.0000 0.0000 33973.6118 -149850.5305 296.7000 -183824.1423 -149754.5368 297.3833 127.9970 162.9978 556762.6787 2.3734 2.2524 PRESSURE: 3273000 18.6437 -150.052 -212.156 -150.052 67.7971 55.9758 -212.154 55.9761 49.658 GPRESSURE: 3273000 62.279 -46.4408 -252.073 -129.875 60.8247 120.049 -191.043 76.0468 107.573 PRESSAVG: 3273000 -61.3504 -10.6869 -18.2028 -10.6867 37.5309 40.6403 -18.2029 40.6404 19.4726 GPRESSAVG: 3273000 -61.1254 -8.24054 -18.5102 -7.78104 36.5932 42.3343 -17.5878 40.096 19.4483 TIMING: 3273000 CPU: 9486.1, 0.00291343/step Wall: 9486.1, 0.00291343/step, 1.39764 hours remaining, 211.015625 MB of memory in use. ENERGY: 3273000 757.2328 2045.4437 1956.3072 110.3150 -206765.0460 18036.6931 0.0000 0.0000 34026.6312 -149832.4231 297.1630 -183859.0543 -149735.3584 296.9759 45.3663 76.8921 557187.3811 -1.4490 -1.6946 PRESSURE: 3273200 -187.602 82.2794 4.65475 82.2795 -53.9968 15.157 4.65501 15.1578 -15.3868 GPRESSURE: 3273200 -134.848 -8.68873 35.5461 90.0141 -54.4168 38.8679 46.0167 23.2818 29.2561 PRESSAVG: 3273200 -22.16 36.8802 23.2066 36.8802 5.81591 34.1364 23.2066 34.1365 -17.7272 GPRESSAVG: 3273200 -20.7416 34.2619 23.3623 35.9399 4.72797 32.8499 22.2571 35.5032 -17.7681 TIMING: 3273200 CPU: 9486.69, 0.00293182/step Wall: 9486.69, 0.00293182/step, 1.4063 hours remaining, 211.015625 MB of memory in use. ENERGY: 3273200 742.7342 2071.1693 1936.2241 118.5269 -206583.8674 17885.2643 0.0000 0.0000 34149.6660 -149680.2825 298.2375 -183829.9485 -149584.5130 297.6616 -85.6620 -53.3361 557020.6091 -11.3571 -11.2606 PRESSURE: 3273400 -52.5186 32.6205 87.6043 32.6211 56.1726 5.12347 87.6053 5.12373 243.941 GPRESSURE: 3273400 24.348 -10.199 101.793 40.4141 79.4854 -65.1392 53.736 -5.09553 254.861 PRESSAVG: 3273400 -59.2713 -17.5263 -11.6556 -17.5262 -13.2529 20.1312 -11.6556 20.1311 77.3499 GPRESSAVG: 3273400 -60.0326 -14.6907 -9.98558 -17.9271 -11.8021 20.537 -11.9312 21.2677 76.6528 TIMING: 3273400 CPU: 9487.28, 0.00293952/step Wall: 9487.28, 0.00293952/step, 1.40983 hours remaining, 211.015625 MB of memory in use. ENERGY: 3273400 752.1069 2076.2160 1932.7038 115.0718 -206723.0386 18059.0742 0.0000 0.0000 33931.7247 -149856.1413 296.3342 -183787.8660 -149766.0243 297.4587 82.5315 119.5647 557269.5115 1.6086 1.6060 PRESSURE: 3273600 -81.9916 199.97 104.01 199.97 156.523 11.7084 104.01 11.709 68.4792 GPRESSURE: 3273600 -97.1461 171.655 143.44 144.233 211.812 53.6084 79.6475 -25.4388 127.245 PRESSAVG: 3273600 -74.7696 18.4807 32.2113 18.4806 22.039 -5.41004 32.2113 -5.41008 72.781 GPRESSAVG: 3273600 -74.9475 15.7745 32.3068 19.0082 20.8085 -4.63629 31.6314 -7.53768 74.3625 TIMING: 3273600 CPU: 9487.86, 0.00290562/step Wall: 9487.86, 0.00290562/step, 1.3934 hours remaining, 211.015625 MB of memory in use. ENERGY: 3273600 745.6454 2142.5691 1944.4959 103.8517 -206492.5342 17939.6492 0.0000 0.0000 33871.7964 -149744.5265 295.8108 -183616.3230 -149654.9657 297.6693 47.6701 80.6367 556884.6909 6.6834 6.7412 PRESSURE: 3273800 -81.2716 53.9074 -122.109 53.9077 26.422 -29.8027 -122.11 -29.8023 33.1193 GPRESSURE: 3273800 -55.1674 131.382 -96.3318 101.228 46.1127 -10.9806 -104.286 -83.3119 86.0525 PRESSAVG: 3273800 -44.4702 68.0458 -14.9738 68.0458 -57.6824 46.9207 -14.9738 46.9206 70.2567 GPRESSAVG: 3273800 -44.8848 68.5742 -16.6609 67.4484 -57.4876 47.4368 -14.6416 47.7301 70.4568 TIMING: 3273800 CPU: 9488.44, 0.00290325/step Wall: 9488.44, 0.00290325/step, 1.39211 hours remaining, 211.015625 MB of memory in use. ENERGY: 3273800 715.2893 2059.2660 1944.4558 106.7167 -206321.8896 17753.2691 0.0000 0.0000 34197.5346 -149545.3583 298.6556 -183742.8928 -149454.4494 297.6583 -7.2435 25.6659 556327.2532 -10.6320 -10.6385 PRESSURE: 3274000 99.0436 126.579 -20.2723 126.58 -4.92879 31.8387 -20.2726 31.8382 156.742 GPRESSURE: 3274000 77.6501 176.639 -49.5178 94.049 66.9976 36.5861 6.70122 57.5729 203.893 PRESSAVG: 3274000 19.2908 40.0186 19.0079 40.0186 68.423 20.3515 19.008 20.3514 -59.8825 GPRESSAVG: 3274000 18.6014 38.8301 19.893 40.2447 69.0119 19.9911 21.8821 20.468 -58.9838 TIMING: 3274000 CPU: 9489.02, 0.00290381/step Wall: 9489.02, 0.00290381/step, 1.39221 hours remaining, 211.015625 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: 3274000 765.4100 2057.6097 1972.9414 108.4682 -206430.3861 18037.1036 0.0000 0.0000 34174.7782 -149314.0750 298.4568 -183488.8532 -149219.2703 298.5197 83.6189 116.1801 556393.9132 9.2771 9.5432 PRESSURE: 3274200 -101.323 -73.6714 -94.1377 -73.6708 205.918 118.931 -94.1372 118.931 90.3541 GPRESSURE: 3274200 -26.195 -96.9553 -4.62663 -112.801 199.15 83.8537 -113.27 150.225 120.918 PRESSAVG: 3274200 -64.9512 -3.89237 18.49 -3.8924 84.7613 52.6231 18.4901 52.623 -31.613 GPRESSAVG: 3274200 -63.1432 -2.20518 18.3626 -2.59499 84.2139 51.0278 15.7056 50.9882 -33.0881 TIMING: 3274200 CPU: 9489.6, 0.00290184/step Wall: 9489.6, 0.00290184/step, 1.39111 hours remaining, 211.015625 MB of memory in use. ENERGY: 3274200 715.6645 2069.4047 1907.6540 121.2403 -206281.1019 17906.4824 0.0000 0.0000 34240.8357 -149319.8204 299.0337 -183560.6561 -149223.9784 298.5624 64.9833 97.9576 557628.9308 -3.9343 -4.0058 PRESSURE: 3274400 -363.552 64.378 -103.582 64.3767 -268.796 -115.75 -103.582 -115.751 -237.776 GPRESSURE: 3274400 -313.093 77.424 -109.862 70.9222 -208.927 -130.876 -128.633 -94.0789 -249.848 PRESSAVG: 3274400 -34.2246 -3.5588 3.76297 -3.5588 25.8218 51.7605 3.76298 51.7607 -23.1604 GPRESSAVG: 3274400 -34.2947 -5.50309 4.3319 -2.29317 25.6413 52.1443 5.3169 51.0663 -22.9894 TIMING: 3274400 CPU: 9490.18, 0.00288498/step Wall: 9490.18, 0.00288498/step, 1.38287 hours remaining, 211.015625 MB of memory in use. ENERGY: 3274400 776.2780 2049.4143 1940.5187 108.8621 -206096.6613 17584.5157 0.0000 0.0000 34294.0552 -149343.0173 299.4985 -183637.0725 -149250.6324 298.7114 -290.0414 -257.2893 558966.1602 -10.5211 -10.5476 PRESSURE: 3274600 -226.158 -4.29149 -77.2704 -4.2925 -113.338 75.3307 -77.2692 75.3308 -278.736 GPRESSURE: 3274600 -184.098 -2.98057 -155.705 -8.63474 -66.3138 167.18 -117.708 -28.9592 -274.407 PRESSAVG: 3274600 30.4876 24.4778 -7.95334 24.4778 -34.4978 31.0755 -7.9533 31.0754 -18.9634 GPRESSAVG: 3274600 29.7786 26.3053 -9.64462 23.0897 -33.0266 32.0201 -8.70066 31.2265 -20.0165 TIMING: 3274600 CPU: 9490.76, 0.00291368/step Wall: 9490.76, 0.00291368/step, 1.39646 hours remaining, 211.015625 MB of memory in use. ENERGY: 3274600 761.4722 2147.4471 1948.5344 118.9100 -206045.2529 17454.5177 0.0000 0.0000 34314.3981 -149299.9733 299.6762 -183614.3714 -149200.9459 299.1608 -206.0777 -174.9398 556838.8957 -7.6579 -7.7548 PRESSURE: 3274800 -97.0994 -26.3814 -71.6881 -26.3819 -106.134 88.6251 -71.6878 88.6246 -1.21846 GPRESSURE: 3274800 -11.2883 77.4326 -2.328 10.4989 -66.5777 3.24013 -124.123 104.012 -33.1958 PRESSAVG: 3274800 -40.3581 46.4983 17.7933 46.4983 26.3498 40.4373 17.7933 40.4372 12.4722 GPRESSAVG: 3274800 -38.5886 46.6396 17.7174 46.7323 25.3603 39.6003 16.4162 41.944 11.9842 TIMING: 3274800 CPU: 9491.34, 0.0028937/step Wall: 9491.34, 0.0028937/step, 1.38672 hours remaining, 211.015625 MB of memory in use. ENERGY: 3274800 756.4240 2071.7845 1959.0343 103.4987 -206180.1967 17726.6484 0.0000 0.0000 34326.9482 -149235.8586 299.7858 -183562.8068 -149144.5143 299.2861 -68.1507 -37.0206 556325.0773 -0.5120 -0.4147 PRESSURE: 3275000 -103.632 61.1881 34.9802 61.1877 -178.95 170.583 34.9803 170.58 -42.4002 GPRESSURE: 3275000 -82.4524 165.369 -12.6003 -10.243 -119.671 179.757 135.171 204.123 -44.8544 PRESSAVG: 3275000 5.09782 46.6749 14.7481 46.6748 -9.55992 40.6534 14.748 40.6533 40.1844 GPRESSAVG: 3275000 2.65149 46.6206 14.7705 45.9582 -8.72277 42.0148 17.4509 38.9405 41.5737 TIMING: 3275000 CPU: 9491.92, 0.00288578/step Wall: 9491.92, 0.00288578/step, 1.38277 hours remaining, 211.015625 MB of memory in use. ENERGY: 3275000 739.3545 2089.3453 1925.6954 116.6795 -205570.9885 17634.6326 0.0000 0.0000 34150.2021 -148915.0792 298.2422 -183065.2812 -148822.7379 299.6820 -108.3273 -82.3259 558031.3991 11.9074 11.8341 PRESSURE: 3275200 -413.661 -208.149 -82.3365 -208.15 75.9484 33.9345 -82.3381 33.9324 197.604 GPRESSURE: 3275200 -340.986 -147.369 -67.9957 -219.182 83.7614 45.8007 -62.6046 33.2447 213.417 PRESSAVG: 3275200 -5.46969 -48.1177 -2.07978 -48.1176 -34.0809 -0.838264 -2.07975 -0.838189 40.9475 GPRESSAVG: 3275200 -4.5673 -47.6971 -1.13598 -48.3078 -34.5914 -2.08328 -3.67301 0.0829149 41.0932 TIMING: 3275200 CPU: 9492.5, 0.0029016/step Wall: 9492.5, 0.0029016/step, 1.39019 hours remaining, 211.015625 MB of memory in use. ENERGY: 3275200 756.6403 2130.7622 1920.5965 102.6248 -205371.8739 17503.1044 0.0000 0.0000 34119.0434 -148839.1022 297.9701 -182958.1456 -148744.7929 299.8737 -46.7028 -14.6025 557831.7567 0.4657 0.6448 PRESSURE: 3275400 104.342 109.491 85.1975 109.491 -6.15708 153.389 85.1976 153.39 -334.137 GPRESSURE: 3275400 93.2411 65.278 96.3377 22.2425 40.0136 179.738 123.756 216.923 -267.806 PRESSAVG: 3275400 24.7286 -60.4413 13.2654 -60.4412 2.0861 18.6754 13.2655 18.6754 -30.7581 GPRESSAVG: 3275400 23.749 -61.089 14.8825 -60.5814 3.29791 18.0857 12.6905 20.5906 -30.8548 TIMING: 3275400 CPU: 9493.08, 0.0029271/step Wall: 9493.08, 0.0029271/step, 1.40224 hours remaining, 211.015625 MB of memory in use. ENERGY: 3275400 769.1773 2085.9306 1949.7175 100.4708 -205942.5405 17621.7235 0.0000 0.0000 34344.9262 -149070.5945 299.9428 -183415.5207 -148981.6381 299.7668 -78.6507 -44.8506 556692.9782 -1.3144 -1.2693 PRESSURE: 3275600 119.705 -216.98 -113.569 -216.979 101.075 192.612 -113.57 192.611 14.5529 GPRESSURE: 3275600 94.3422 -175.469 -60.9709 -148.562 165.079 44.5112 -149.767 266.426 69.6531 PRESSAVG: 3275600 35.7398 -66.3096 31.5514 -66.3097 -42.4178 87.6661 31.5514 87.666 -4.7637 GPRESSAVG: 3275600 36.8176 -67.85 29.6413 -66.14 -43.1842 87.5797 32.2317 86.3274 -5.25352 TIMING: 3275600 CPU: 9493.66, 0.00289305/step Wall: 9493.66, 0.00289305/step, 1.38577 hours remaining, 211.015625 MB of memory in use. ENERGY: 3275600 781.8236 2087.4405 1965.4729 122.9650 -206282.0732 17907.9363 0.0000 0.0000 34426.2364 -148990.1985 300.6529 -183416.4349 -148890.2950 300.0692 78.4442 109.6913 555641.4268 -3.8139 -3.8734 PRESSURE: 3275800 -63.3214 59.4856 -76.238 59.4858 -366.29 201.698 -76.2377 201.7 37.8571 GPRESSURE: 3275800 -10.7949 82.7267 -118.083 52.9873 -302.827 125.596 -10.6991 288.963 20.8148 PRESSAVG: 3275800 -9.34348 -21.0647 -8.06134 -21.0648 13.8516 22.0369 -8.06139 22.0369 29.7519 GPRESSAVG: 3275800 -8.61626 -20.1313 -8.85558 -20.0332 14.1711 22.8934 -6.76451 23.2538 28.4512 TIMING: 3275800 CPU: 9494.24, 0.00290329/step Wall: 9494.24, 0.00290329/step, 1.39052 hours remaining, 211.015625 MB of memory in use. ENERGY: 3275800 774.9472 2085.6779 1958.7447 113.6948 -205946.7530 17610.6204 0.0000 0.0000 34365.4062 -149037.6617 300.1216 -183403.0680 -148936.1956 299.9626 -130.5849 -97.6025 556242.2319 11.4200 11.3354 PRESSURE: 3276000 12.5007 -69.7019 17.7039 -69.7027 7.41428 11.0966 17.7043 11.0967 119.018 GPRESSURE: 3276000 82.2251 -39.6099 69.4879 -71.9644 19.9557 -55.2058 6.48157 18.6237 131.394 PRESSAVG: 3276000 9.37878 -18.8054 -30.0523 -18.8053 -6.7343 49.0533 -30.0523 49.0533 -2.65875 GPRESSAVG: 3276000 8.43251 -18.7489 -27.576 -20.4138 -6.45461 48.8477 -30.5456 48.5936 -2.33563 TIMING: 3276000 CPU: 9494.83, 0.00291891/step Wall: 9494.83, 0.00291891/step, 1.39783 hours remaining, 211.015625 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: 3276000 737.3776 2150.3390 1941.8682 104.3335 -206305.5390 17853.7209 0.0000 0.0000 34331.7469 -149186.1529 299.8277 -183517.8998 -149092.9882 299.7208 46.3111 77.8582 556344.6356 -0.0048 -0.1192 PRESSURE: 3276200 55.2512 -66.251 189.915 -66.2502 -151.126 11.771 189.915 11.771 -31.9163 GPRESSURE: 3276200 57.8231 -130.321 160.892 -39.6997 -98.7838 99.4275 275.276 -70.3409 11.551 PRESSAVG: 3276200 -46.2052 -8.89911 2.42312 -8.89904 26.3541 54.2731 2.42326 54.2731 6.79573 GPRESSAVG: 3276200 -45.2492 -9.00332 2.62454 -7.86263 25.0667 54.8139 1.38438 51.9339 7.3448 TIMING: 3276200 CPU: 9495.41, 0.00292822/step Wall: 9495.41, 0.00292822/step, 1.40213 hours remaining, 211.015625 MB of memory in use. ENERGY: 3276200 718.9199 2075.6651 1955.5567 116.0740 -205746.6822 17507.0138 0.0000 0.0000 34282.9242 -149090.5285 299.4013 -183373.4527 -148989.8388 299.8685 -42.5972 -9.8032 556584.1899 -4.3518 -4.2792 LDB: ============= START OF LOAD BALANCING ============== 9498.8 LDB: ============== END OF LOAD BALANCING =============== 9498.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9498.8 LDB: ============= START OF LOAD BALANCING ============== 9499.1 LDB: Largest compute 4772 load 0.024760 is 21.0% of average load 0.117942 LDB: Average compute 0.001727 is 1.5% of average load 0.117942 LDB: TIME 9499.1 LOAD: AVG 0.117942 MAX 0.182061 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.59 MB LDB: TIME 9499.1 LOAD: AVG 0.117942 MAX 0.182061 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.652 MB LDB: TIME 9499.1 LOAD: AVG 0.117942 MAX 0.182061 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.652 MB LDB: ============== END OF LOAD BALANCING =============== 9499.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9499.11 PRESSURE: 3276400 266.641 181.032 -47.9185 181.032 -197.679 98.8754 -47.9202 98.8761 218.46 GPRESSURE: 3276400 264.34 166.237 -100.337 134.839 -91.9571 42.4771 -60.7002 144.871 217.756 PRESSAVG: 3276400 -11.6688 67.3765 -14.3162 67.3763 -55.2865 -27.4518 -14.3161 -27.4517 56.1505 GPRESSAVG: 3276400 -12.0952 66.1575 -14.9732 68.1739 -54.3577 -28.3387 -13.4127 -26.4191 55.6564 TIMING: 3276400 CPU: 9496.01, 0.00300717/step Wall: 9496.01, 0.00300717/step, 1.43976 hours remaining, 208.464844 MB of memory in use. ENERGY: 3276400 708.7522 2073.8957 1946.9506 127.7233 -206046.9668 17676.1578 0.0000 0.0000 34362.9097 -149150.5775 300.0998 -183513.4871 -149047.5093 299.9000 95.8074 130.0463 556925.4382 -3.6016 -3.5988 PRESSURE: 3276600 -74.7997 -26.5999 10.5475 -26.6005 49.3 -114.233 10.5486 -114.234 142.995 GPRESSURE: 3276600 -44.4621 -105.714 -39.9605 47.548 120.059 -70.4491 57.5932 -116.803 148.924 PRESSAVG: 3276600 -1.10567 -17.0438 -15.7783 -17.0437 -88.5291 16.6708 -15.7783 16.6708 66.446 GPRESSAVG: 3276600 -2.18099 -16.2905 -15.4483 -17.6032 -89.1946 18.5988 -17.106 16.4925 67.2074 TIMING: 3276600 CPU: 9496.6, 0.00291274/step Wall: 9496.6, 0.00291274/step, 1.3944 hours remaining, 208.464844 MB of memory in use. ENERGY: 3276600 723.5809 2140.0537 1916.1467 106.1167 -206377.0782 17989.4892 0.0000 0.0000 34336.0374 -149165.6535 299.8652 -183501.6909 -149069.5339 299.2628 39.1652 74.8404 557012.6768 -7.7296 -8.0560 PRESSURE: 3276800 -171.311 -39.1558 30.1938 -39.1559 -151.214 46.8843 30.1939 46.8847 389.328 GPRESSURE: 3276800 -124.142 -103.187 -12.5273 -32.4402 -116.957 -38.1295 -53.9658 70.8988 402.171 PRESSAVG: 3276800 8.0907 -10.8518 31.5766 -10.8517 -24.7394 -20.3231 31.5766 -20.323 31.0469 GPRESSAVG: 3276800 8.38467 -11.4269 29.7942 -12.0384 -24.8545 -21.5197 32.5009 -18.4238 30.4833 TIMING: 3276800 CPU: 9497.18, 0.00290934/step Wall: 9497.18, 0.00290934/step, 1.39261 hours remaining, 208.464844 MB of memory in use. ENERGY: 3276800 755.1252 2082.3875 1963.1725 113.9752 -206546.8413 17989.0062 0.0000 0.0000 34369.2127 -149273.9620 300.1549 -183643.1747 -149176.8014 299.4875 22.2678 53.6908 556800.9325 4.7994 4.6711 PRESSURE: 3277000 -93.792 68.4044 1.23918 68.4056 49.1573 49.6747 1.24005 49.6742 -24.2498 GPRESSURE: 3277000 -24.935 52.3196 24.4727 88.5226 70.0719 42.1191 2.67222 81.8745 -23.2456 PRESSAVG: 3277000 -43.4154 -17.3891 36.2867 -17.3891 -0.992206 35.7603 36.2867 35.7602 49.9415 GPRESSAVG: 3277000 -43.1863 -13.7393 35.8393 -18.1342 -0.174279 34.1092 35.401 34.4199 49.5013 TIMING: 3277000 CPU: 9497.76, 0.0028936/step Wall: 9497.76, 0.0028936/step, 1.38491 hours remaining, 208.464844 MB of memory in use. ENERGY: 3277000 715.9426 2106.8784 1944.4840 112.8762 -206390.1256 17924.5153 0.0000 0.0000 34417.9131 -149167.5160 300.5802 -183585.4291 -149067.2788 299.8244 -22.9615 7.2971 558600.6264 1.8446 2.0469 PRESSURE: 3277200 -77.1191 -91.7726 -53.478 -91.7729 -160.1 -166.641 -53.4785 -166.643 -243.055 GPRESSURE: 3277200 -51.5384 -38.5173 -45.3744 -122.603 -81.3923 -248.132 -85.3506 -164.219 -243.533 PRESSAVG: 3277200 -44.8521 -3.48846 40.1986 -3.48854 -16.8995 9.7188 40.1986 9.71875 26.839 GPRESSAVG: 3277200 -45.8173 -4.58552 40.3667 -3.69083 -16.4105 11.1089 41.9949 10.4963 27.3686 TIMING: 3277200 CPU: 9498.34, 0.00289827/step Wall: 9498.34, 0.00289827/step, 1.38698 hours remaining, 208.464844 MB of memory in use. ENERGY: 3277200 749.4950 2117.4062 1934.4934 120.3463 -205988.4527 17694.7461 0.0000 0.0000 34286.6025 -149085.3632 299.4334 -183371.9657 -148979.9523 299.8820 -160.0914 -125.4879 558078.0401 -11.6376 -11.6197 PRESSURE: 3277400 -156.034 -79.7091 -126.009 -79.7099 -189.31 -101.683 -126.008 -101.685 -131.896 GPRESSURE: 3277400 -81.2849 -81.0973 -6.42934 -32.6531 -175.665 -123.724 -142.209 -61.6133 -116.469 PRESSAVG: 3277400 28.3767 12.0009 15.3749 12.0009 -24.7814 -35.295 15.3749 -35.295 -29.1199 GPRESSAVG: 3277400 29.4696 10.1372 14.5785 13.3551 -24.8094 -34.9202 14.0157 -36.6921 -29.8625 TIMING: 3277400 CPU: 9498.92, 0.00291003/step Wall: 9498.92, 0.00291003/step, 1.39245 hours remaining, 208.464844 MB of memory in use. ENERGY: 3277400 720.2172 2163.2766 1967.6574 97.8162 -205866.0500 17404.5384 0.0000 0.0000 34331.5772 -149180.9670 299.8262 -183512.5443 -149091.0081 299.4994 -159.0798 -124.4728 557851.9379 -8.5082 -8.4008 PRESSURE: 3277600 17.9389 -3.38488 -13.5433 -3.38343 -19.0119 -99.7325 -13.5422 -99.7315 -177.034 GPRESSURE: 3277600 43.0059 -1.1319 -74.2401 -51.9966 5.16061 -0.45831 1.69375 -109.867 -116.103 PRESSAVG: 3277600 48.7693 6.12495 -24.4172 6.12495 -30.9692 37.915 -24.4172 37.915 -0.355645 GPRESSAVG: 3277600 49.2653 7.21643 -25.3846 5.18079 -30.9629 40.3742 -24.3499 34.9102 -0.782971 TIMING: 3277600 CPU: 9499.5, 0.00291757/step Wall: 9499.5, 0.00291757/step, 1.3959 hours remaining, 208.464844 MB of memory in use. ENERGY: 3277600 786.2018 2081.7745 1951.0382 105.7678 -206252.2089 17811.4829 0.0000 0.0000 34290.8143 -149225.1295 299.4702 -183515.9438 -149131.2071 299.4274 -59.3689 -22.6454 557335.9557 5.8148 5.8398 PRESSURE: 3277800 366.628 -13.9572 -120.559 -13.9568 -228.281 103.695 -120.558 103.694 267.348 GPRESSURE: 3277800 415.756 33.6078 -103.653 -41.9634 -199.582 144.39 -218.038 103.682 263.263 PRESSAVG: 3277800 35.0082 47.896 -4.82205 47.896 2.56433 -6.04591 -4.82213 -6.04598 -71.4366 GPRESSAVG: 3277800 34.1984 46.8217 -2.44314 48.5765 2.68676 -9.16419 -5.8379 -2.48965 -71.1067 TIMING: 3277800 CPU: 9500.08, 0.00290686/step Wall: 9500.08, 0.00290686/step, 1.39061 hours remaining, 208.464844 MB of memory in use. ENERGY: 3277800 766.9414 2134.8422 1952.0919 124.3625 -206373.2446 18002.0470 0.0000 0.0000 34204.5630 -149188.3966 298.7170 -183392.9596 -149084.0256 298.8689 135.2318 159.8123 556903.4219 -11.2880 -11.4072 PRESSURE: 3278000 -85.6194 95.3598 23.762 95.36 252.735 -29.5405 23.7619 -29.5391 -101.268 GPRESSURE: 3278000 -39.5123 121.11 6.45318 76.2267 261.517 36.1867 26.8039 -59.1317 -43.543 PRESSAVG: 3278000 5.81533 24.461 9.97473 24.4611 -36.5488 21.1631 9.97485 21.1632 28.9301 GPRESSAVG: 3278000 5.83217 25.7738 8.71882 23.692 -36.786 21.1806 10.568 21.3081 28.8854 TIMING: 3278000 CPU: 9500.67, 0.00292033/step Wall: 9500.67, 0.00292033/step, 1.39689 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3278000 731.0728 2132.6843 1951.2399 117.2673 -206043.6488 17801.2967 0.0000 0.0000 34248.6302 -149061.4577 299.1018 -183310.0879 -148971.1555 299.8354 21.9490 59.4871 556394.0406 -0.6011 -0.6895 PRESSURE: 3278200 47.3223 78.2964 -111.262 78.2963 26.7163 -30.3529 -111.262 -30.3541 -68.7609 GPRESSURE: 3278200 120.75 60.5138 -158.461 53.7009 50.2826 -32.4661 -30.4775 11.1407 -70.4196 PRESSAVG: 3278200 98.8763 55.0699 -68.0265 55.0699 -75.8418 50.942 -68.0265 50.942 24.6815 GPRESSAVG: 3278200 99.4965 56.4169 -65.9379 55.6475 -75.8922 52.4049 -68.4585 49.0236 23.9367 TIMING: 3278200 CPU: 9501.24, 0.00287612/step Wall: 9501.24, 0.00287612/step, 1.37558 hours remaining, 208.464844 MB of memory in use. ENERGY: 3278200 695.2893 2132.6240 1962.6774 119.2414 -205878.3981 17667.2183 0.0000 0.0000 34313.4285 -148987.9192 299.6677 -183301.3477 -148894.6019 299.5197 1.7592 33.5375 557640.9116 15.9053 15.8470 PRESSURE: 3278400 77.1749 18.5378 -15.0994 18.539 289.428 -231.194 -15.0994 -231.194 128.27 GPRESSURE: 3278400 124.632 24.836 -40.4615 -27.511 299.973 -195.308 93.586 -200.228 169.076 PRESSAVG: 3278400 -22.3703 -14.3512 -29.2575 -14.3511 -39.1623 -6.41133 -29.2575 -6.41147 94.2667 GPRESSAVG: 3278400 -22.5214 -14.4845 -29.8206 -16.8457 -39.4584 -7.12673 -28.6022 -5.09656 95.063 TIMING: 3278400 CPU: 9501.82, 0.00290232/step Wall: 9501.82, 0.00290232/step, 1.38796 hours remaining, 208.464844 MB of memory in use. ENERGY: 3278400 747.4076 2128.3953 1947.6678 112.7957 -206349.3499 17989.4215 0.0000 0.0000 34211.8069 -149211.8551 298.7802 -183423.6620 -149111.5188 299.4439 164.9578 197.8937 556999.3301 10.9114 11.0277 PRESSURE: 3278600 247.17 131.946 -13.3282 131.945 -285.08 -18.0068 -13.3283 -18.0071 248.776 GPRESSURE: 3278600 286.857 49.1878 -9.14682 230.124 -265.19 -30.8365 -29.0501 -32.1922 282.894 PRESSAVG: 3278600 -63.4893 18.6307 -4.36476 18.6306 45.4873 -11.1518 -4.3648 -11.1519 21.2386 GPRESSAVG: 3278600 -63.5793 16.9979 -4.54734 19.011 45.8761 -12.0882 -4.39246 -12.519 20.7742 TIMING: 3278600 CPU: 9502.4, 0.00290456/step Wall: 9502.4, 0.00290456/step, 1.38887 hours remaining, 208.464844 MB of memory in use. ENERGY: 3278600 757.8144 2136.5470 1946.3862 108.3173 -206465.8070 17882.1787 0.0000 0.0000 34264.3029 -149370.2605 299.2387 -183634.5634 -149266.6362 299.3126 70.2886 101.5201 556509.2237 1.0789 1.0237 PRESSURE: 3278800 300.396 77.8117 59.2114 77.8116 -97.2284 133.384 59.2102 133.384 191.573 GPRESSURE: 3278800 335.487 138.009 -45.6803 26.4297 -15.9611 175.919 142.673 90.1112 177.606 PRESSAVG: 3278800 -25.4111 -8.94219 9.12752 -8.94223 35.2673 12.9983 9.12751 12.9983 -35.7889 GPRESSAVG: 3278800 -25.4867 -9.3143 8.09276 -7.25042 35.2154 13.0749 6.18265 14.3735 -35.3658 TIMING: 3278800 CPU: 9502.98, 0.00289262/step Wall: 9502.98, 0.00289262/step, 1.38299 hours remaining, 208.464844 MB of memory in use. ENERGY: 3278800 753.1715 2073.7190 1931.7791 112.3261 -206423.9567 17956.1775 0.0000 0.0000 34351.3241 -149245.4593 299.9987 -183596.7834 -149157.5406 298.8242 131.5802 165.7108 556391.3156 -8.6442 -8.5457 PRESSURE: 3279000 -115.776 -111.805 -159.34 -111.804 -161.881 -0.535122 -159.341 -0.53521 -68.1144 GPRESSURE: 3279000 -75.6376 -182.164 -89.4877 -95.8146 -99.1541 -14.1128 -107.318 -21.0761 -70.6112 PRESSAVG: 3279000 -5.73042 -21.6802 4.65675 -21.6802 19.8176 -26.932 4.65672 -26.932 33.4878 GPRESSAVG: 3279000 -5.68182 -21.3841 2.89254 -20.1298 20.191 -26.8085 7.4379 -27.8529 32.6555 TIMING: 3279000 CPU: 9503.56, 0.00289005/step Wall: 9503.56, 0.00289005/step, 1.3816 hours remaining, 208.464844 MB of memory in use. ENERGY: 3279000 758.4427 2080.7706 1961.6233 110.6838 -206295.8637 17721.8324 0.0000 0.0000 34383.0866 -149279.4244 300.2760 -183662.5110 -149180.2602 299.6909 -115.2569 -81.8009 556406.5144 15.8583 15.7216 PRESSURE: 3279200 98.3622 74.6771 -114.018 74.6761 199.489 84.8316 -114.016 84.8323 -301.993 GPRESSURE: 3279200 140.586 36.5255 -142.524 0.41142 231.686 122.925 -9.79028 10.7505 -296.923 PRESSAVG: 3279200 -3.94674 16.0144 -34.3722 16.0144 53.7211 -37.2276 -34.3722 -37.2276 -28.1276 GPRESSAVG: 3279200 -4.49755 16.5907 -32.9498 15.6674 53.2015 -36.2214 -32.2149 -37.8433 -26.7042 TIMING: 3279200 CPU: 9504.13, 0.00287273/step Wall: 9504.13, 0.00287273/step, 1.37317 hours remaining, 208.464844 MB of memory in use. ENERGY: 3279200 720.9062 2112.7122 1974.4557 123.4176 -206271.8158 17854.1835 0.0000 0.0000 34177.1657 -149308.9749 298.4777 -183486.1407 -149217.7655 299.0031 -1.3806 25.1162 557301.8772 7.2156 7.3333 PRESSURE: 3279400 -141.589 -15.8386 -50.7317 -15.8384 -184.395 52.4519 -50.7327 52.4534 -228.56 GPRESSURE: 3279400 -134.401 -18.074 -64.3761 -68.0466 -151.319 5.51024 74.1304 84.7142 -173.719 PRESSAVG: 3279400 85.8516 -14.9405 -42.7678 -14.9405 -51.0625 -6.49319 -42.7677 -6.49315 -14.8701 GPRESSAVG: 3279400 85.8426 -13.0939 -43.1324 -17.4256 -50.5049 -7.80857 -45.537 -4.5332 -15.7213 TIMING: 3279400 CPU: 9504.72, 0.00290879/step Wall: 9504.72, 0.00290879/step, 1.39024 hours remaining, 208.464844 MB of memory in use. ENERGY: 3279400 784.4935 2060.5126 1968.2075 104.3591 -206034.3886 17639.8627 0.0000 0.0000 34177.2193 -149299.7339 298.4782 -183476.9532 -149199.3928 299.0740 -184.8480 -153.1464 556069.4976 6.6397 6.5388 PRESSURE: 3279600 -9.94664 64.2313 -56.2268 64.2303 -64.8689 81.0192 -56.2272 81.0201 -271.383 GPRESSURE: 3279600 -9.98524 26.5421 22.3809 99.8623 -17.4244 129.116 -74.6927 92.1446 -216.819 PRESSAVG: 3279600 11.4927 -33.3102 -21.5843 -33.3101 -36.838 25.8776 -21.5843 25.8777 -19.8789 GPRESSAVG: 3279600 10.1301 -36.3034 -19.6767 -30.9823 -36.744 26.9414 -22.5024 23.8929 -18.632 TIMING: 3279600 CPU: 9505.3, 0.00289966/step Wall: 9505.3, 0.00289966/step, 1.38572 hours remaining, 208.464844 MB of memory in use. ENERGY: 3279600 758.8223 2032.0124 1979.7097 114.9748 -206140.6254 17692.0698 0.0000 0.0000 34047.1810 -149515.8553 297.3425 -183563.0363 -149422.7257 298.6883 -115.3994 -81.4095 558316.8591 -15.0747 -15.0820 PRESSURE: 3279800 118.757 -63.276 27.0315 -63.2748 -16.2012 53.2827 27.0304 53.2828 191.373 GPRESSURE: 3279800 167.34 -74.141 -8.62866 -27.3394 -4.27659 142.003 61.6247 32.5192 238.334 PRESSAVG: 3279800 -8.20741 13.7001 -39.0642 13.7002 -15.2221 24.0932 -39.0642 24.0932 11.9825 GPRESSAVG: 3279800 -7.04307 14.3132 -40.5395 13.4197 -16.0128 22.7185 -37.3169 25.8341 11.6955 TIMING: 3279800 CPU: 9505.87, 0.00288947/step Wall: 9505.87, 0.00288947/step, 1.38069 hours remaining, 208.464844 MB of memory in use. ENERGY: 3279800 725.9722 2088.0539 1943.1279 103.6842 -206235.4605 17845.2641 0.0000 0.0000 34096.8492 -149432.5090 297.7763 -183529.3582 -149335.2195 298.8362 97.9762 133.7991 556382.1735 -3.8157 -3.7868 PRESSURE: 3280000 -226.397 -31.1784 65.9515 -31.1791 -287.343 -10.1495 65.9518 -10.1485 -79.8508 GPRESSURE: 3280000 -128.25 -48.4338 62.3142 -14.4596 -269.586 36.8441 92.2854 12.7263 -81.8761 PRESSAVG: 3280000 -25.0529 -5.27112 72.5242 -5.27116 17.7569 7.52824 72.5242 7.52822 2.10743 GPRESSAVG: 3280000 -25.5423 -5.64496 71.449 -5.66619 18.2717 8.72389 72.579 5.92722 2.18027 TIMING: 3280000 CPU: 9506.45, 0.00289299/step Wall: 9506.45, 0.00289299/step, 1.3822 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3280000 759.8837 2084.7708 1928.2453 119.1254 -206149.8265 17491.1057 0.0000 0.0000 34190.1448 -149576.5509 298.5910 -183766.6957 -149476.4858 298.2638 -197.8634 -159.9038 557228.8825 -1.7295 -1.6968 PRESSURE: 3280200 83.176 9.54012 -17.1535 9.53921 -136.688 -42.8453 -17.1535 -42.8441 29.0513 GPRESSURE: 3280200 163.007 35.736 -44.3404 -53.25 -121.025 1.23408 33.9912 -57.2528 35.7308 PRESSAVG: 3280200 -5.88044 9.81572 16.4996 9.81571 -41.4227 20.5565 16.4997 20.5565 26.3529 GPRESSAVG: 3280200 -6.63638 10.1737 17.6278 9.0244 -40.4505 19.3561 16.3629 21.6852 26.0644 TIMING: 3280200 CPU: 9507.03, 0.00289544/step Wall: 9507.03, 0.00289544/step, 1.38322 hours remaining, 208.464844 MB of memory in use. ENERGY: 3280200 754.4411 2036.5660 1988.9198 116.8339 -206584.0043 17978.8110 0.0000 0.0000 34034.0762 -149674.3565 297.2281 -183708.4327 -149573.8427 299.0459 -8.1536 25.9043 558108.1690 -6.9834 -7.0075 LDB: ============= START OF LOAD BALANCING ============== 9510.42 LDB: ============== END OF LOAD BALANCING =============== 9510.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9510.42 LDB: ============= START OF LOAD BALANCING ============== 9510.72 LDB: Largest compute 4772 load 0.025976 is 22.0% of average load 0.117913 LDB: Average compute 0.001731 is 1.5% of average load 0.117913 LDB: TIME 9510.72 LOAD: AVG 0.117913 MAX 0.18025 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.031 MB LDB: TIME 9510.72 LOAD: AVG 0.117913 MAX 0.18025 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.234 MB LDB: TIME 9510.72 LOAD: AVG 0.117913 MAX 0.18025 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9510.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9510.72 PRESSURE: 3280400 -205.86 175.721 -13.6655 175.721 -214.413 42.9387 -13.6658 42.9408 -134.913 GPRESSURE: 3280400 -156.099 147.698 52.1502 229.413 -151.946 75.4993 -33.0373 29.3877 -159.249 PRESSAVG: 3280400 -0.146091 3.99215 6.20538 3.99223 34.923 -25.1716 6.20546 -25.1716 6.75578 GPRESSAVG: 3280400 0.824009 4.27461 5.86264 4.39484 33.1162 -25.1976 5.42312 -23.6532 7.73207 TIMING: 3280400 CPU: 9507.63, 0.00298613/step Wall: 9507.63, 0.00298613/step, 1.42638 hours remaining, 209.929688 MB of memory in use. ENERGY: 3280400 747.3307 2088.7326 1967.6116 123.3183 -206479.5860 17865.2789 0.0000 0.0000 34072.4117 -149614.9023 297.5628 -183687.3140 -149522.7726 298.2746 -185.0617 -155.7645 558384.3560 13.8442 13.8908 PRESSURE: 3280600 -97.3823 100.348 -43.5842 100.348 -50.2777 31.4064 -43.5839 31.4063 -151.536 GPRESSURE: 3280600 -134.657 165.598 75.4511 115.847 -15.3663 30.0223 -126.02 -15.8064 -65.2249 PRESSAVG: 3280600 -15.4002 20.5897 7.63707 20.5897 -25.8121 50.905 7.63706 50.905 -13.9819 GPRESSAVG: 3280600 -15.6343 20.7931 9.6264 20.5401 -25.2495 52.6094 6.1865 48.8111 -14.6866 TIMING: 3280600 CPU: 9508.22, 0.00294318/step Wall: 9508.22, 0.00294318/step, 1.40569 hours remaining, 210.332031 MB of memory in use. ENERGY: 3280600 715.8663 2102.8190 1959.0090 124.2071 -205954.6079 17500.2068 0.0000 0.0000 33846.3250 -149706.1746 295.5884 -183552.4997 -149615.1805 298.1329 -99.7321 -71.7495 557265.4605 -18.3981 -18.5234 PRESSURE: 3280800 -122.203 25.4674 87.8443 25.468 -188.859 -158.303 87.8436 -158.302 -66.7741 GPRESSURE: 3280800 -52.1296 -31.5418 5.14879 41.6017 -178.124 -107.191 114.105 -209.108 -42.7819 PRESSAVG: 3280800 -29.4559 -17.1188 -48.843 -17.1187 -5.24188 -19.4794 -48.843 -19.4795 -7.09181 GPRESSAVG: 3280800 -28.7446 -18.2778 -48.6997 -16.9651 -6.04872 -20.0844 -47.305 -20.8586 -6.69788 TIMING: 3280800 CPU: 9508.8, 0.0029118/step Wall: 9508.8, 0.0029118/step, 1.39055 hours remaining, 210.332031 MB of memory in use. ENERGY: 3280800 727.5426 2039.6254 1938.9866 108.2645 -206437.7895 17746.3875 0.0000 0.0000 34018.6652 -149858.3177 297.0935 -183876.9829 -149763.2374 297.3623 -125.9452 -91.0118 556448.5979 -13.9298 -13.8304 PRESSURE: 3281000 -76.931 -0.372915 -72.1182 -0.374472 -244.526 -28.4273 -72.1177 -28.4261 30.7224 GPRESSURE: 3281000 9.62272 -17.9916 -94.4776 24.3247 -169.97 19.8658 -78.7054 -78.3604 -18.9376 PRESSAVG: 3281000 -26.7318 7.994 17.7493 7.99391 23.5426 -0.745487 17.7493 -0.745444 33.6365 GPRESSAVG: 3281000 -26.6297 10.5494 15.7716 6.36377 23.7399 -3.38198 18.766 0.930889 33.5419 TIMING: 3281000 CPU: 9509.38, 0.00291777/step Wall: 9509.38, 0.00291777/step, 1.39323 hours remaining, 210.332031 MB of memory in use. ENERGY: 3281000 782.7086 2099.8455 1948.2029 108.4035 -206502.7296 17794.1130 0.0000 0.0000 34116.5179 -149652.9381 297.9480 -183769.4560 -149561.0301 297.6987 -96.9114 -59.7616 555283.5300 10.1491 10.2174 PRESSURE: 3281200 -272.565 -260.428 13.0077 -260.427 -112.088 -155.934 13.0059 -155.933 -217.351 GPRESSURE: 3281200 -231.194 -330.607 -40.7392 -215.848 -109.618 -224.378 -13.2755 -126.373 -167.843 PRESSAVG: 3281200 -20.8745 -44.4004 -16.7093 -44.4005 51.1934 -4.90772 -16.7092 -4.90759 -6.54527 GPRESSAVG: 3281200 -21.8122 -44.7619 -15.6 -42.3739 51.4436 -2.34638 -19.1441 -5.30345 -5.53616 TIMING: 3281200 CPU: 9509.96, 0.00289922/step Wall: 9509.96, 0.00289922/step, 1.38422 hours remaining, 210.332031 MB of memory in use. ENERGY: 3281200 800.2995 2043.9066 1944.8817 114.6277 -206407.6333 17787.2197 0.0000 0.0000 34107.7806 -149608.9175 297.8717 -183716.6981 -149513.3228 298.4431 -200.6679 -169.5518 556039.2999 7.9245 8.0317 PRESSURE: 3281400 131 -143.978 -124.132 -143.979 22.9985 -41.751 -124.131 -41.7503 70.2069 GPRESSURE: 3281400 149.914 -108.034 -28.5021 -211.725 101.884 -78.5013 -157.098 63.141 69.2965 PRESSAVG: 3281400 -113.167 -54.5352 -4.53353 -54.5351 123.111 20.5127 -4.53345 20.5127 -15.2322 GPRESSAVG: 3281400 -113.528 -56.2878 -4.1236 -55.3581 123.967 20.2577 -3.53772 20.1539 -15.5968 TIMING: 3281400 CPU: 9510.55, 0.00294075/step Wall: 9510.55, 0.00294075/step, 1.40388 hours remaining, 210.332031 MB of memory in use. ENERGY: 3281400 722.7118 2122.9917 1943.5879 109.7232 -206852.0780 18054.4961 0.0000 0.0000 34398.8963 -149499.6710 300.4141 -183898.5673 -149406.0673 297.9371 74.7353 107.0318 556534.8274 -1.7628 -1.7192 PRESSURE: 3281600 81.7956 73.0958 -52.4567 73.0953 217.993 149.788 -52.456 149.79 -57.6424 GPRESSURE: 3281600 98.9901 146.114 -15.8266 -5.30318 229.758 143.397 -65.4841 206.849 4.85468 PRESSAVG: 3281600 -32.1606 -42.0338 -21.9792 -42.0337 52.6394 1.07807 -21.9792 1.07796 -48.3757 GPRESSAVG: 3281600 -30.8092 -40.2286 -21.9296 -41.3083 52.0708 -1.15233 -21.2657 1.88044 -49.1871 TIMING: 3281600 CPU: 9511.14, 0.00294528/step Wall: 9511.14, 0.00294528/step, 1.40588 hours remaining, 210.332031 MB of memory in use. ENERGY: 3281600 759.2877 2012.8674 1967.6567 124.2585 -206664.0628 17875.2200 0.0000 0.0000 34363.2916 -149561.4809 300.1032 -183924.7725 -149474.7948 298.5812 80.7155 111.2008 555849.3615 -9.2990 -9.3085 PRESSURE: 3281800 -64.089 -98.3102 -41.014 -98.3097 62.1762 72.586 -41.0156 72.5849 220.54 GPRESSURE: 3281800 -11.587 -41.7831 -30.2057 -149.451 103.105 48.2555 -4.68292 172.195 229.668 PRESSAVG: 3281800 -35.0974 68.9819 -23.3365 68.9819 47.7533 32.2152 -23.3365 32.2151 -3.6868 GPRESSAVG: 3281800 -36.4097 68.9229 -24.1446 69.0116 47.1248 33.8681 -22.2411 30.5728 -1.81755 TIMING: 3281800 CPU: 9511.73, 0.00293844/step Wall: 9511.73, 0.00293844/step, 1.40245 hours remaining, 210.332031 MB of memory in use. ENERGY: 3281800 713.6972 2016.1198 1937.3276 124.3779 -206261.0654 17993.8607 0.0000 0.0000 33953.5057 -149522.1765 296.5244 -183475.6822 -149425.0992 297.8719 72.8756 107.0622 558055.0605 2.9897 2.9659 PRESSURE: 3282000 55.8301 -54.1048 4.69607 -54.1042 189.691 77.7419 4.69665 77.7417 -23.8722 GPRESSURE: 3282000 96.7684 -112.164 56.6752 -82.2617 190.853 112.089 -67.2176 2.91897 24.7793 PRESSAVG: 3282000 0.264118 -17.7723 -15.7339 -17.7722 -84.6626 8.26059 -15.7339 8.26063 33.0798 GPRESSAVG: 3282000 -0.00949206 -17.5798 -14.8497 -18.3271 -83.8562 9.50237 -17.9091 8.32433 32.7346 TIMING: 3282000 CPU: 9512.31, 0.00292171/step Wall: 9512.31, 0.00292171/step, 1.3943 hours remaining, 210.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3282000 755.3667 2072.6568 1938.7387 104.6885 -206249.5709 17867.5369 0.0000 0.0000 34137.1135 -149373.4698 298.1279 -183510.5833 -149279.8237 298.2194 73.8829 104.1334 557760.9020 -17.1062 -17.0437 PRESSURE: 3282200 63.3816 -130.586 60.4249 -130.585 -120.133 143.144 60.4256 143.145 200.953 GPRESSURE: 3282200 105.815 -98.4359 12.1873 -120.976 -48.0633 41.4426 51.3139 101.121 186.67 PRESSAVG: 3282200 -34.0034 21.102 45.783 21.102 17.742 30.4422 45.7832 30.4421 3.78055 GPRESSAVG: 3282200 -32.8692 19.8431 45.5082 20.7957 17.4073 29.0726 46.575 29.9644 3.01328 TIMING: 3282200 CPU: 9512.89, 0.00289914/step Wall: 9512.89, 0.00289914/step, 1.38337 hours remaining, 210.332031 MB of memory in use. ENERGY: 3282200 697.5587 2049.5875 1964.3734 105.5051 -205878.9433 17784.8587 0.0000 0.0000 34262.7338 -149014.3261 299.2250 -183277.0598 -148917.4804 299.5797 48.0670 81.4740 557705.3163 -4.1603 -4.1495 PRESSURE: 3282400 52.0096 135.904 105.389 135.905 318.246 -111.43 105.389 -111.43 45.7574 GPRESSURE: 3282400 106.563 45.4135 141.056 179.509 331.014 -105.655 59.6327 -62.9204 75.8614 PRESSAVG: 3282400 -51.5243 28.5541 24.6092 28.5541 -43.9531 -48.0783 24.6091 -48.0783 88.5393 GPRESSAVG: 3282400 -50.4413 28.0465 22.8901 29.7686 -43.3216 -47.9507 24.7553 -47.4788 87.8529 TIMING: 3282400 CPU: 9513.47, 0.00290018/step Wall: 9513.47, 0.00290018/step, 1.38371 hours remaining, 210.332031 MB of memory in use. ENERGY: 3282400 703.1422 2066.3851 1979.8705 114.4664 -206562.8142 18039.0707 0.0000 0.0000 34594.8419 -149065.0375 302.1254 -183659.8794 -148971.4867 299.3087 138.6709 171.1461 556927.2977 -2.3127 -1.9700 PRESSURE: 3282600 99.2141 -155.083 73.5696 -155.083 -0.754378 -191.006 73.5685 -191.007 92.3597 GPRESSURE: 3282600 174.007 -91.326 139.261 -226.154 -2.1751 -182.893 120.157 -145.383 110.314 PRESSAVG: 3282600 -42.4872 27.3719 54.3335 27.3719 55.6911 -36.0933 54.3335 -36.0933 -21.0533 GPRESSAVG: 3282600 -42.2795 28.0734 54.5449 25.9716 54.8769 -35.7985 55.7193 -36.0445 -20.5471 TIMING: 3282600 CPU: 9514.05, 0.00287382/step Wall: 9514.05, 0.00287382/step, 1.37097 hours remaining, 210.332031 MB of memory in use. ENERGY: 3282600 757.6693 2099.7278 1941.5927 118.2172 -206522.5001 18079.5553 0.0000 0.0000 34387.7334 -149138.0043 300.3166 -183525.7377 -149043.7618 300.3976 63.6065 94.0488 557312.4755 -2.6165 -2.6499 PRESSURE: 3282800 -205.736 21.738 -34.5752 21.7385 108.088 92.0157 -34.5756 92.015 -66.0461 GPRESSURE: 3282800 -131.735 -2.40048 -40.225 57.1534 136.522 100.735 -92.9018 85.2304 -71.2883 PRESSAVG: 3282800 -5.3726 24.9223 -4.95697 24.9222 9.34844 -4.08941 -4.95698 -4.08944 -14.6461 GPRESSAVG: 3282800 -6.90095 25.0279 -4.25157 25.6948 10.3004 -4.17868 -6.82709 -3.1144 -14.3024 TIMING: 3282800 CPU: 9514.63, 0.00289959/step Wall: 9514.63, 0.00289959/step, 1.38311 hours remaining, 210.332031 MB of memory in use. ENERGY: 3282800 747.6820 2073.4318 1965.0296 104.4361 -205789.8876 17614.2562 0.0000 0.0000 34218.8963 -149066.1556 298.8421 -183285.0519 -148970.0539 299.8454 -54.5650 -22.1671 558715.3116 -3.5567 -3.6343 PRESSURE: 3283000 -49.3705 -33.6057 -52.7488 -33.605 -174.73 -44.8233 -52.7494 -44.8237 -143.231 GPRESSURE: 3283000 -30.8868 -13.2458 -53.8115 -1.62911 -121.843 51.6778 -11.2325 -64.9393 -110.831 PRESSAVG: 3283000 27.5077 0.330493 25.2278 0.33065 -7.80057 -0.511141 25.2279 -0.510958 -29.9668 GPRESSAVG: 3283000 28.6411 -0.461138 27.3045 0.278873 -8.20837 -2.10667 25.9815 -1.63606 -30.4626 TIMING: 3283000 CPU: 9515.21, 0.00289167/step Wall: 9515.21, 0.00289167/step, 1.37917 hours remaining, 210.332031 MB of memory in use. ENERGY: 3283000 738.4062 2076.4185 1947.2123 120.5165 -205569.3037 17500.6833 0.0000 0.0000 34284.3081 -148901.7588 299.4134 -183186.0668 -148799.7685 299.7711 -122.4439 -87.8537 559150.5725 -3.4199 -3.3433 PRESSURE: 3283200 81.4816 32.3995 -211.108 32.3993 -270.578 108.823 -211.109 108.824 2.54857 GPRESSURE: 3283200 156.847 62.0884 -187.669 43.3397 -252.343 129.847 -154.646 49.0973 10.0035 PRESSAVG: 3283200 53.863 -24.6304 14.1063 -24.6305 -37.8051 27.1868 14.1062 27.1869 9.38583 GPRESSAVG: 3283200 53.5657 -25.0379 14.0928 -25.4455 -37.297 27.5375 13.435 26.4377 9.59206 TIMING: 3283200 CPU: 9515.79, 0.00291347/step Wall: 9515.79, 0.00291347/step, 1.3894 hours remaining, 210.332031 MB of memory in use. ENERGY: 3283200 781.1585 1980.5568 1961.7524 113.8714 -206129.0636 17833.5297 0.0000 0.0000 34576.8632 -148881.3317 301.9683 -183458.1949 -148778.1382 300.0161 -62.1825 -28.4976 557983.8262 8.4813 8.6203 PRESSURE: 3283400 65.3081 123.913 35.8022 123.913 6.48923 67.3898 35.8026 67.3889 -251.971 GPRESSURE: 3283400 52.2109 174.322 105.354 128.041 90.9513 125.187 -13.2009 69.9348 -218.916 PRESSAVG: 3283400 1.24407 18.9739 -14.5072 18.9739 19.7356 39.5866 -14.5071 39.5866 26.5633 GPRESSAVG: 3283400 0.995412 19.5666 -14.4815 18.6115 19.581 42.0877 -14.7286 39.63 27.2787 TIMING: 3283400 CPU: 9516.37, 0.00292869/step Wall: 9516.37, 0.00292869/step, 1.3965 hours remaining, 210.332031 MB of memory in use. ENERGY: 3283400 730.5835 2098.2049 1944.4709 100.2904 -205567.4455 17536.8634 0.0000 0.0000 34342.2823 -148814.7500 299.9197 -183157.0323 -148713.7228 299.9730 -60.0578 -25.2514 558064.6384 15.8477 15.9517 PRESSURE: 3283600 -163.319 108.883 68.2 108.883 -329.875 -55.1648 68.1984 -55.1667 -171.504 GPRESSURE: 3283600 -131.028 64.399 40.8026 122.506 -274.63 -172.895 131.825 92.4137 -155.651 PRESSAVG: 3283600 -22.1554 38.4186 3.57148 38.4185 -20.9919 9.59471 3.57155 9.59465 48.6609 GPRESSAVG: 3283600 -21.1551 38.1191 1.70079 38.6984 -20.8568 6.24796 3.43972 11.3311 47.431 TIMING: 3283600 CPU: 9516.96, 0.00292345/step Wall: 9516.96, 0.00292345/step, 1.39384 hours remaining, 210.332031 MB of memory in use. ENERGY: 3283600 747.8782 2082.4753 1919.3773 120.2499 -205630.5914 17533.4339 0.0000 0.0000 34456.9645 -148770.2124 300.9212 -183227.1768 -148674.4685 300.5887 -221.5659 -187.1029 558576.5687 1.8379 1.8064 PRESSURE: 3283800 179.286 177.328 -16.6567 177.328 186.72 118.703 -16.6577 118.704 -104.219 GPRESSURE: 3283800 213.356 111.964 1.54211 131.236 154.255 147.233 -12.7308 7.17842 -4.29816 PRESSAVG: 3283800 -19.8507 4.5529 33.2357 4.55287 -28.86 -10.3606 33.2358 -10.3606 16.0127 GPRESSAVG: 3283800 -20.7771 4.36442 32.896 3.82552 -28.7223 -9.14586 34.0285 -11.9045 16.5967 TIMING: 3283800 CPU: 9517.54, 0.00289968/step Wall: 9517.54, 0.00289968/step, 1.38234 hours remaining, 210.332031 MB of memory in use. ENERGY: 3283800 766.2924 2121.0848 1927.3242 116.9264 -205814.7686 17823.0701 0.0000 0.0000 34305.5708 -148754.4998 299.5991 -183060.0706 -148658.6075 300.5029 87.2623 121.1042 556862.0965 -10.8993 -10.9676 PRESSURE: 3284000 21.8143 90.9449 6.38018 90.9456 -172.322 -16.0872 6.3808 -16.088 102.222 GPRESSURE: 3284000 -4.28726 45.515 -11.7643 53.2385 -127.022 -74.7823 47.568 37.7414 187.156 PRESSAVG: 3284000 9.16498 60.9442 -8.30706 60.9442 -3.10146 2.58201 -8.30701 2.58201 -4.90926 GPRESSAVG: 3284000 9.07565 60.4006 -6.83132 61.9734 -2.78187 0.954006 -9.94459 4.05037 -5.40577 TIMING: 3284000 CPU: 9518.12, 0.00290606/step Wall: 9518.12, 0.00290606/step, 1.38522 hours remaining, 210.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3284000 728.0648 2117.0167 1896.6727 108.5317 -205632.4451 17564.4906 0.0000 0.0000 34413.2805 -148804.3881 300.5397 -183217.6686 -148700.7582 300.4541 -16.0954 18.6157 557552.1465 0.3848 0.2960 PRESSURE: 3284200 43.6543 -22.6386 -104.01 -22.6383 -309.229 -23.3363 -104.01 -23.3381 -325.132 GPRESSURE: 3284200 89.5998 -54.7425 -74.5543 -52.0244 -266.087 -10.3396 -205.198 -94.2157 -316.81 PRESSAVG: 3284200 -7.36858 -1.30859 42.9351 -1.30866 32.6628 21.0582 42.9351 21.0581 -58.273 GPRESSAVG: 3284200 -6.92674 -0.175368 42.6323 -1.0192 32.2017 24.4735 44.6771 18.1825 -58.1527 TIMING: 3284200 CPU: 9518.7, 0.00291066/step Wall: 9518.7, 0.00291066/step, 1.38725 hours remaining, 210.332031 MB of memory in use. ENERGY: 3284200 764.0358 2118.8160 1942.7949 108.9006 -205368.8805 17344.0427 0.0000 0.0000 34396.7873 -148693.5032 300.3957 -183090.2905 -148597.1448 300.4325 -196.9020 -164.4326 556693.3425 -10.9929 -10.9593 LDB: ============= START OF LOAD BALANCING ============== 9522.09 LDB: ============== END OF LOAD BALANCING =============== 9522.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9522.09 LDB: ============= START OF LOAD BALANCING ============== 9522.38 LDB: Largest compute 4772 load 0.025345 is 21.5% of average load 0.117911 LDB: Average compute 0.001723 is 1.5% of average load 0.117911 LDB: TIME 9522.38 LOAD: AVG 0.117911 MAX 0.177184 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.957 MB LDB: TIME 9522.38 LOAD: AVG 0.117911 MAX 0.177184 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.988 MB LDB: TIME 9522.38 LOAD: AVG 0.117911 MAX 0.177184 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.988 MB LDB: ============== END OF LOAD BALANCING =============== 9522.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9522.39 PRESSURE: 3284400 -295.404 59.1996 100.829 59.1997 -81.2803 74.6994 100.828 74.6981 -263.179 GPRESSURE: 3284400 -257.588 -39.0118 90.2016 115.269 -83.4405 154.426 163.175 25.2904 -205.13 PRESSAVG: 3284400 86.7216 33.2562 -18.2725 33.2562 -66.9514 5.78924 -18.2726 5.78923 -29.7265 GPRESSAVG: 3284400 88.6104 33.3857 -17.563 31.9804 -67.6303 4.48822 -17.2728 5.76896 -30.8608 TIMING: 3284400 CPU: 9519.29, 0.00295633/step Wall: 9519.29, 0.00295633/step, 1.40886 hours remaining, 209.417969 MB of memory in use. ENERGY: 3284400 733.4271 2114.9860 1910.1798 103.4151 -205214.8092 17194.7580 0.0000 0.0000 34452.4285 -148705.6147 300.8816 -183158.0432 -148609.3397 300.7774 -213.2877 -182.0529 557539.2767 -3.3188 -3.2936 PRESSURE: 3284600 -61.9098 100.873 90.3627 100.875 -92.8659 -176.931 90.3611 -176.93 -317.703 GPRESSURE: 3284600 -19.2406 70.7859 134.888 74.8765 -45.253 -217.893 30.7554 -130.793 -304.769 PRESSAVG: 3284600 -15.4965 23.4704 44.7387 23.4704 33.2912 -25.4987 44.7387 -25.4986 0.55463 GPRESSAVG: 3284600 -15.8054 20.4902 44.9656 24.656 33.168 -23.1737 43.5379 -26.313 1.60176 TIMING: 3284600 CPU: 9519.87, 0.00289366/step Wall: 9519.87, 0.00289366/step, 1.37883 hours remaining, 209.417969 MB of memory in use. ENERGY: 3284600 714.1692 2093.5536 1939.8302 112.8501 -205551.6188 17461.1352 0.0000 0.0000 34379.0827 -148850.9978 300.2411 -183230.0806 -148747.2447 300.3738 -157.4928 -123.0876 557447.4182 6.1164 6.3214 PRESSURE: 3284800 -40.0149 -37.9608 -63.3298 -37.96 -197.139 -95.4212 -63.3292 -95.4215 -42.88 GPRESSURE: 3284800 -17.7418 56.9145 -107.311 -0.26799 -186.329 -114.777 -42.6435 -121.843 19.3021 PRESSAVG: 3284800 38.7654 51.8654 15.5621 51.8654 -50.6625 -21.9876 15.5621 -21.9875 35.9313 GPRESSAVG: 3284800 37.998 53.2417 13.0529 52.6384 -50.0831 -23.2501 17.0005 -20.3643 36.4755 TIMING: 3284800 CPU: 9520.45, 0.00287648/step Wall: 9520.45, 0.00287648/step, 1.37048 hours remaining, 209.417969 MB of memory in use. ENERGY: 3284800 756.2794 2124.9968 1960.4877 109.5103 -206032.3628 17701.7091 0.0000 0.0000 34478.8738 -148900.5057 301.1126 -183379.3795 -148801.7207 300.4825 -93.3447 -61.5896 557882.2936 8.0114 8.1302 PRESSURE: 3285000 -168.128 -123.861 60.6784 -123.861 -148.196 47.9338 60.678 47.9345 -275.938 GPRESSURE: 3285000 -177.012 -157.409 30.535 -128.774 -121.798 7.99204 143.482 133.5 -199.261 PRESSAVG: 3285000 16.321 10.4436 44.0434 10.4436 -29.8542 20.9303 44.0435 20.9302 62.834 GPRESSAVG: 3285000 17.0784 11.2187 45.4862 8.3112 -29.5276 18.5713 43.2195 19.2193 61.9607 TIMING: 3285000 CPU: 9521.02, 0.00287387/step Wall: 9521.02, 0.00287387/step, 1.36908 hours remaining, 209.417969 MB of memory in use. ENERGY: 3285000 777.3761 2091.7512 1972.2846 125.2338 -205637.5471 17544.3658 0.0000 0.0000 34358.9949 -148767.5405 300.0656 -183126.5355 -148673.6648 300.0134 -197.4208 -166.0236 558439.1014 16.4336 16.5039 PRESSURE: 3285200 -98.805 -88.7951 197.107 -88.7958 107.019 -34.8565 197.107 -34.857 -98.53 GPRESSURE: 3285200 -38.1713 -121.563 144.671 -134.812 92.7581 -115.801 255.808 -6.83161 -49.1186 PRESSAVG: 3285200 -9.84418 15.9757 -23.3955 15.9756 31.9696 9.38452 -23.3956 9.38462 -21.0304 GPRESSAVG: 3285200 -9.8513 14.1995 -23.7618 19.1973 31.1057 11.9307 -22.7917 10.2896 -20.2415 TIMING: 3285200 CPU: 9521.6, 0.00290173/step Wall: 9521.6, 0.00290173/step, 1.38219 hours remaining, 209.417969 MB of memory in use. ENERGY: 3285200 753.6070 2062.4872 1923.4700 111.6524 -205805.3865 17723.3312 0.0000 0.0000 34379.0321 -148851.8066 300.2406 -183230.8386 -148753.0125 300.6455 -30.1055 1.8228 557861.1848 0.3650 0.3376 PRESSURE: 3285400 -188.672 -63.2088 -82.1358 -63.208 -113.01 80.7566 -82.1365 80.7575 -136.309 GPRESSURE: 3285400 -156.346 -13.4962 -204.654 -81.9941 -129.898 135.532 -39.6013 76.5752 -51.6659 PRESSAVG: 3285400 56.3914 -79.7203 -3.8133 -79.7204 -31.979 -22.836 -3.81333 -22.836 -23.8211 GPRESSAVG: 3285400 55.9209 -79.052 -1.82823 -81.0884 -31.0982 -25.1297 -2.71522 -21.8402 -23.6514 TIMING: 3285400 CPU: 9522.18, 0.00290276/step Wall: 9522.18, 0.00290276/step, 1.38252 hours remaining, 209.417969 MB of memory in use. ENERGY: 3285400 764.9739 2055.2977 1941.6249 114.6923 -205521.3357 17503.0935 0.0000 0.0000 34383.4449 -148758.2085 300.2792 -183141.6534 -148653.9531 299.7431 -145.9967 -112.6368 559017.8608 0.1971 0.3904 PRESSURE: 3285600 117.041 -133.881 -108.634 -133.882 -209.924 -85.8218 -108.633 -85.8227 174.687 GPRESSURE: 3285600 170.165 -140.335 -58.2148 -115.685 -170.642 -79.8732 -166.257 11.1 191.712 PRESSAVG: 3285600 117.862 14.5749 -17.8796 14.5749 -56.704 -9.88317 -17.8797 -9.88314 -53.8787 GPRESSAVG: 3285600 117.104 12.8071 -18.55 15.8268 -55.6939 -8.92253 -18.6715 -9.08444 -53.3623 TIMING: 3285600 CPU: 9522.76, 0.00289727/step Wall: 9522.76, 0.00289727/step, 1.37974 hours remaining, 209.417969 MB of memory in use. ENERGY: 3285600 719.5099 2111.4756 1948.4582 125.0455 -206125.6699 18023.1273 0.0000 0.0000 34337.7542 -148860.2992 299.8801 -183198.0535 -148767.0965 300.7212 27.2681 63.7453 558297.3615 2.4264 2.6827 PRESSURE: 3285800 5.01083 -58.8866 -120.596 -58.8859 139 -153.09 -120.596 -153.089 -273.279 GPRESSURE: 3285800 -20.774 33.6552 -114.964 -20.4147 220.86 -125.675 -64.264 -126.812 -225.7 PRESSAVG: 3285800 12.5224 -53.3239 -8.70637 -53.3239 40.1798 -37.668 -8.70635 -37.668 -20.4139 GPRESSAVG: 3285800 13.3735 -51.1694 -8.98877 -55.0763 40.2273 -38.7038 -9.61662 -38.7601 -21.4521 TIMING: 3285800 CPU: 9523.34, 0.00289343/step Wall: 9523.34, 0.00289343/step, 1.37776 hours remaining, 209.417969 MB of memory in use. ENERGY: 3285800 753.8413 2112.1401 1943.3927 118.3875 -205833.1603 17774.4320 0.0000 0.0000 34337.6873 -148793.2793 299.8796 -183130.9666 -148688.5703 300.8286 -43.0895 -8.5381 559204.9581 10.7628 10.7162 PRESSURE: 3286000 -106.249 -6.43438 20.812 -6.43426 176.137 76.8574 20.8124 76.8579 -55.2515 GPRESSURE: 3286000 -30.2106 -59.8265 -5.14516 31.6457 192.776 59.2369 -18.9607 22.253 -50.51 PRESSAVG: 3286000 41.1915 -48.3332 -27.8232 -48.3332 17.7971 -3.84134 -27.8232 -3.8412 -40.8644 GPRESSAVG: 3286000 42.1434 -48.3027 -30.4628 -47.9321 16.3324 -5.20655 -25.1845 -4.10052 -40.7581 TIMING: 3286000 CPU: 9523.92, 0.00289252/step Wall: 9523.92, 0.00289252/step, 1.37716 hours remaining, 209.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3286000 704.9850 2133.3122 1958.3447 117.4008 -206189.1962 17888.0803 0.0000 0.0000 34534.2260 -148852.8472 301.5960 -183387.0733 -148748.5811 300.3793 4.8788 37.3517 558728.9414 6.0414 5.9059 PRESSURE: 3286200 -69.8631 133.19 -114.975 133.189 160.494 -66.867 -114.976 -66.8671 25.9801 GPRESSURE: 3286200 -52.5104 185.497 -212.204 94.1897 193.162 -6.96443 -57.1669 -41.2927 83.7945 PRESSAVG: 3286200 32.467 -26.2232 -44.9884 -26.2232 -16.9722 -45.8427 -44.9883 -45.8426 4.55783 GPRESSAVG: 3286200 31.3265 -26.0561 -43.9027 -26.2262 -17.7588 -43.9937 -47.1284 -44.5268 6.49608 TIMING: 3286200 CPU: 9524.5, 0.00288178/step Wall: 9524.5, 0.00288178/step, 1.37189 hours remaining, 209.417969 MB of memory in use. ENERGY: 3286200 766.6906 2091.3415 1929.8903 113.7424 -206126.4454 17877.3214 0.0000 0.0000 34282.7300 -149064.7292 299.3996 -183347.4592 -148964.1005 299.8628 38.8703 74.8152 558792.5434 6.6842 6.6879 PRESSURE: 3286400 -310.929 78.5642 12.7663 78.5627 -52.8558 -205.274 12.7675 -205.276 8.13016 GPRESSURE: 3286400 -279.459 44.5022 22.1484 94.4529 -21.3233 -189.644 13.2083 -124.858 33.9708 PRESSAVG: 3286400 19.9289 24.4584 -14.5317 24.4585 59.7944 21.1798 -14.5318 21.1798 -68.3756 GPRESSAVG: 3286400 20.5169 23.284 -12.0726 24.1689 60.616 19.9187 -14.9737 21.7288 -70.2187 TIMING: 3286400 CPU: 9525.07, 0.00289238/step Wall: 9525.07, 0.00289238/step, 1.37677 hours remaining, 209.417969 MB of memory in use. ENERGY: 3286400 795.8696 2071.3442 1952.1167 114.3572 -206169.2845 17742.8901 0.0000 0.0000 34420.1585 -149072.5483 300.5998 -183492.7067 -148968.7428 299.4696 -118.5516 -88.9373 559207.7807 3.7826 3.6381 PRESSURE: 3286600 37.4414 31.1312 -60.4666 31.1326 238.447 -7.81338 -60.4662 -7.81286 57.4786 GPRESSURE: 3286600 96.2473 28.2096 -42.3744 17.086 262.606 19.6707 -57.7495 -44.4218 79.5375 PRESSAVG: 3286600 17.5661 37.8792 -19.3628 37.8792 -19.0943 -25.5053 -19.3628 -25.5053 4.81168 GPRESSAVG: 3286600 18.8806 37.4346 -22.4518 37.71 -19.367 -24.0913 -17.8603 -26.6905 4.03606 TIMING: 3286600 CPU: 9525.65, 0.00288332/step Wall: 9525.65, 0.00288332/step, 1.3723 hours remaining, 209.417969 MB of memory in use. ENERGY: 3286600 736.9950 2161.0109 1976.4771 122.2319 -206203.1640 17887.5683 0.0000 0.0000 34380.2341 -148938.6467 300.2511 -183318.8808 -148856.4698 299.8674 111.1224 146.1303 556572.3561 1.0945 1.1832 PRESSURE: 3286800 71.2633 -159.039 -87.9694 -159.04 15.4267 -165.432 -87.9706 -165.433 63.1619 GPRESSURE: 3286800 107.004 -151.19 -63.7949 -208.921 20.0111 -129.796 -166.004 -146.553 117.511 PRESSAVG: 3286800 -18.0455 -32.9462 24.522 -32.9462 32.5282 -17.1429 24.5221 -17.1429 -20.218 GPRESSAVG: 3286800 -18.3601 -31.5807 26.6429 -34.1002 33.2249 -18.6126 21.675 -16.4229 -20.3349 TIMING: 3286800 CPU: 9526.23, 0.00288303/step Wall: 9526.23, 0.00288303/step, 1.372 hours remaining, 209.417969 MB of memory in use. ENERGY: 3286800 748.3992 2086.4205 2014.3702 118.9121 -206111.1920 17868.1748 0.0000 0.0000 34218.1183 -149056.7970 298.8353 -183274.9152 -148973.2474 299.7757 49.9506 81.5088 558130.1438 -1.9118 -1.8234 PRESSURE: 3287000 248.59 16.1344 65.5357 16.1344 321.327 71.3721 65.5354 71.3713 187.296 GPRESSURE: 3287000 254.192 -7.63243 129.831 -42.6263 333.586 2.59249 50.9966 116.347 261.645 PRESSAVG: 3287000 63.5103 -26.4309 -8.42516 -26.4309 3.65034 1.3533 -8.42511 1.35333 -19.6646 GPRESSAVG: 3287000 62.9133 -27.0405 -9.66831 -26.899 2.55428 2.32869 -6.66709 1.2193 -18.3162 TIMING: 3287000 CPU: 9526.8, 0.00287993/step Wall: 9526.8, 0.00287993/step, 1.37037 hours remaining, 209.417969 MB of memory in use. ENERGY: 3287000 686.6366 2126.5516 1943.4828 125.1736 -206442.6970 18133.0873 0.0000 0.0000 34378.3836 -149049.3815 300.2350 -183427.7651 -148955.1658 300.2447 252.4043 283.1413 557123.1562 15.8320 15.7171 PRESSURE: 3287200 -83.6611 1.5094 -74.7165 1.50937 -33.9763 -17.6507 -74.715 -17.6486 -162.899 GPRESSURE: 3287200 -7.23551 84.3475 -53.3432 -86.9416 15.2297 -48.7541 -140.633 101.351 -184.33 PRESSAVG: 3287200 -18.9863 -22.8427 -14.803 -22.8427 18.1019 16.7929 -14.8029 16.7929 11.5067 GPRESSAVG: 3287200 -19.4767 -22.3961 -15.6 -21.9505 19.2188 15.204 -16.4431 18.5804 10.9444 TIMING: 3287200 CPU: 9527.38, 0.00289132/step Wall: 9527.38, 0.00289132/step, 1.37563 hours remaining, 209.417969 MB of memory in use. ENERGY: 3287200 824.6404 2130.9879 1980.3182 112.9414 -206176.5046 17781.7071 0.0000 0.0000 34389.4601 -148956.4494 300.3317 -183345.9096 -148855.6167 299.6695 -93.5121 -58.7785 559260.2961 3.5408 3.5622 PRESSURE: 3287400 -130.182 -48.2978 71.3013 -48.2984 -181.402 -8.38824 71.3007 -8.38788 -164.291 GPRESSURE: 3287400 -143.42 -22.886 75.278 -83.5071 -115.455 -73.994 136.204 41.9027 -125.633 PRESSAVG: 3287400 -25.8403 37.6957 12.6233 37.6957 16.2018 2.79211 12.6232 2.79217 0.328275 GPRESSAVG: 3287400 -25.366 38.8363 12.5526 38.009 16.1345 4.82637 14.7469 1.96442 -0.179279 TIMING: 3287400 CPU: 9527.97, 0.00291517/step Wall: 9527.97, 0.00291517/step, 1.38681 hours remaining, 209.417969 MB of memory in use. ENERGY: 3287400 776.2208 2033.4458 1954.4475 117.2657 -205980.2480 17721.2623 0.0000 0.0000 34333.9511 -149043.6548 299.8469 -183377.6059 -148943.0513 299.9050 -158.6251 -128.1694 558394.7560 -3.1034 -3.1369 PRESSURE: 3287600 -89.9114 -1.43848 -63.3413 -1.43832 27.4295 -169.661 -63.3417 -169.661 -16.1356 GPRESSURE: 3287600 -49.3577 -67.8394 -95.6214 -28.4317 13.2495 -72.4279 -50.5733 -165.656 55.3995 PRESSAVG: 3287600 39.8858 -8.31824 -4.26535 -8.31827 20.276 44.0897 -4.26533 44.0897 -43.7079 GPRESSAVG: 3287600 39.5872 -9.79691 -4.34512 -7.79776 21.0085 43.1834 -3.8607 42.4353 -43.9804 TIMING: 3287600 CPU: 9528.55, 0.00290081/step Wall: 9528.55, 0.00290081/step, 1.37982 hours remaining, 209.417969 MB of memory in use. ENERGY: 3287600 733.8451 2084.2579 1955.0910 125.7181 -206006.6122 17765.9055 0.0000 0.0000 34392.9571 -148948.8375 300.3622 -183341.7946 -148855.8647 300.6110 -26.2058 6.4304 557476.8322 5.4847 5.5384 PRESSURE: 3287800 134.812 -107.375 -92.3796 -107.375 -185.633 5.94889 -92.3793 5.94872 60.0016 GPRESSURE: 3287800 129.25 -82.3963 -10.2356 -71.6145 -119.78 38.3712 -191.82 -101.011 96.9881 PRESSAVG: 3287800 20.2602 -20.6981 -1.14362 -20.6981 -13.5367 42.8563 -1.1436 42.8563 -37.4321 GPRESSAVG: 3287800 20.234 -20.5683 -0.625194 -22.1936 -15.2244 42.1911 -3.12675 42.7328 -36.0117 TIMING: 3287800 CPU: 9529.13, 0.0029001/step Wall: 9529.13, 0.0029001/step, 1.37932 hours remaining, 209.417969 MB of memory in use. ENERGY: 3287800 754.0763 2055.9104 1969.9258 122.3573 -205882.8224 17611.2779 0.0000 0.0000 34640.6606 -148728.6141 302.5255 -183369.2747 -148626.7226 301.1260 3.0601 35.4863 557453.6036 -10.2362 -10.3340 PRESSURE: 3288000 -80.2405 -16.4249 39.9014 -16.4236 -38.0109 69.3292 39.9014 69.3296 -55.219 GPRESSURE: 3288000 -38.2402 -92.287 -60.4615 13.9934 29.1873 8.20815 55.8187 -15.6759 -75.3322 PRESSAVG: 3288000 45.4914 -33.7795 19.0124 -33.7795 30.777 -37.2333 19.0124 -37.2333 -37.6636 GPRESSAVG: 3288000 43.8773 -35.3431 20.3672 -32.6865 33.3544 -37.3399 16.7681 -36.552 -38.5684 TIMING: 3288000 CPU: 9529.71, 0.0029118/step Wall: 9529.71, 0.0029118/step, 1.38472 hours remaining, 209.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3288000 787.3984 2061.0235 1961.5911 108.6004 -205702.4294 17596.2351 0.0000 0.0000 34376.9911 -148810.5899 300.2228 -183187.5810 -148714.9404 300.9248 -57.8235 -28.1284 556864.7734 12.8683 12.8878 PRESSURE: 3288200 61.0643 -16.0349 -31.4171 -16.0356 38.5013 227.64 -31.4174 227.638 131.319 GPRESSURE: 3288200 114.037 -4.77392 -76.0469 -39.3098 96.9794 201.437 31.9918 244.425 92.5573 PRESSAVG: 3288200 16.1969 39.0412 18.9171 39.0412 15.9505 63.6273 18.9171 63.6272 -9.5517 GPRESSAVG: 3288200 17.0349 39.8565 16.619 38.5743 14.9964 62.5901 22.2826 65.4098 -9.26978 TIMING: 3288200 CPU: 9530.29, 0.00290352/step Wall: 9530.29, 0.00290352/step, 1.38062 hours remaining, 209.417969 MB of memory in use. ENERGY: 3288200 757.1882 2094.5703 1929.8652 122.0592 -205489.4426 17676.1920 0.0000 0.0000 34195.7067 -148713.8610 298.6396 -182909.5678 -148621.4944 299.8709 76.9617 101.1913 557833.1108 7.5319 7.5872 LDB: ============= START OF LOAD BALANCING ============== 9533.67 LDB: ============== END OF LOAD BALANCING =============== 9533.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9533.68 LDB: ============= START OF LOAD BALANCING ============== 9533.97 LDB: Largest compute 4772 load 0.024685 is 20.9% of average load 0.117937 LDB: Average compute 0.001720 is 1.5% of average load 0.117937 LDB: TIME 9533.97 LOAD: AVG 0.117937 MAX 0.179288 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.957 MB LDB: TIME 9533.97 LOAD: AVG 0.117937 MAX 0.179288 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.961 MB LDB: TIME 9533.97 LOAD: AVG 0.117937 MAX 0.179288 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9533.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9533.97 PRESSURE: 3288400 12.0158 -57.4613 69.1869 -57.4613 167.837 23.4085 69.1872 23.4086 7.17676 GPRESSURE: 3288400 103.845 -57.1409 -20.7191 -102.64 205.955 75.8418 158.026 -28.961 -24.2127 PRESSAVG: 3288400 -17.3168 -33.8323 13.6513 -33.8322 43.8493 52.8276 13.6513 52.8278 -23.5301 GPRESSAVG: 3288400 -17.5623 -34.4664 13.2933 -33.3903 43.4856 53.9539 14.331 50.5446 -23.3486 TIMING: 3288400 CPU: 9530.88, 0.00295098/step Wall: 9530.88, 0.00295098/step, 1.40303 hours remaining, 209.929688 MB of memory in use. ENERGY: 3288400 759.3518 2077.8191 1957.8898 117.2978 -206025.4093 17849.1213 0.0000 0.0000 34309.4280 -148954.5015 299.6328 -183263.9295 -148858.7840 299.7928 62.3431 95.1958 555784.9349 1.0008 0.8582 PRESSURE: 3288600 -204.343 -192.008 124.293 -192.007 117.921 186.78 124.293 186.78 -240.558 GPRESSURE: 3288600 -160.641 -163.157 140.21 -210.142 107.258 141.394 199.529 72.888 -179.147 PRESSAVG: 3288600 98.7864 -83.7247 34.998 -83.7248 -55.9508 92.7297 34.998 92.7299 -18.3303 GPRESSAVG: 3288600 100.414 -83.7031 34.1863 -83.8739 -57.2951 92.8446 35.549 91.7931 -18.9392 TIMING: 3288600 CPU: 9531.46, 0.00290514/step Wall: 9531.46, 0.00290514/step, 1.38107 hours remaining, 210.171875 MB of memory in use. ENERGY: 3288600 748.2329 2055.8243 1960.6213 110.2644 -206141.7353 17679.0171 0.0000 0.0000 34476.9006 -149110.8747 301.0953 -183587.7754 -149009.0352 300.9617 -108.9934 -77.5098 557820.8979 8.1684 8.0598 PRESSURE: 3288800 78.5188 124.471 82.9444 124.471 -301.219 118.54 82.9438 118.539 -77.3243 GPRESSURE: 3288800 33.7218 101.61 35.9078 185.438 -237.72 24.3976 36.6642 156.716 1.51706 PRESSAVG: 3288800 71.4018 -0.16204 25.7023 -0.162066 -6.42295 35.9716 25.7023 35.9717 -83.1772 GPRESSAVG: 3288800 70.1677 0.133247 25.3021 0.373362 -6.14449 35.5106 24.9132 35.2532 -82.6597 TIMING: 3288800 CPU: 9532.03, 0.00287367/step Wall: 9532.03, 0.00287367/step, 1.36595 hours remaining, 210.171875 MB of memory in use. ENERGY: 3288800 777.9255 2120.1757 1952.0908 115.1357 -206013.8545 17631.9282 0.0000 0.0000 34433.0917 -148983.5069 300.7128 -183416.5985 -148889.3718 300.0405 -100.0083 -67.4937 556326.9999 -6.0661 -6.2122 PRESSURE: 3289000 71.2132 16.5362 -17.7344 16.5369 47.737 73.2387 -17.7351 73.2385 -239.319 GPRESSURE: 3289000 83.3124 -30.0527 62.2398 50.3248 80.1857 81.8367 -115.447 111.477 -183.525 PRESSAVG: 3289000 32.7168 26.4337 13.1046 26.4337 -83.5549 84.3395 13.1047 84.3395 33.3155 GPRESSAVG: 3289000 31.8982 25.0826 14.9687 27.0829 -83.1276 84.3852 14.0744 87.8851 33.518 TIMING: 3289000 CPU: 9532.62, 0.00290787/step Wall: 9532.62, 0.00290787/step, 1.38205 hours remaining, 210.171875 MB of memory in use. ENERGY: 3289000 757.6906 2144.9449 1964.0784 126.4074 -206092.1632 17823.0065 0.0000 0.0000 34313.0235 -148963.0119 299.6642 -183276.0354 -148867.2007 300.3566 -40.1229 -6.6756 556215.9117 -5.8409 -5.9038 PRESSURE: 3289200 143.194 121.62 1.35478 121.619 142.866 111.83 1.35388 111.83 -121.743 GPRESSURE: 3289200 142.689 114.845 -1.96961 179.765 154.694 75.4744 -68.5081 8.83786 -39.5868 PRESSAVG: 3289200 71.3145 64.1491 5.51183 64.1491 -58.884 38.5732 5.51186 38.5732 13.8755 GPRESSAVG: 3289200 71.5713 65.7253 5.18904 63.854 -59.6363 35.3082 4.52308 38.4382 14.2424 TIMING: 3289200 CPU: 9533.2, 0.00290698/step Wall: 9533.2, 0.00290698/step, 1.38146 hours remaining, 210.171875 MB of memory in use. ENERGY: 3289200 759.5258 2077.5573 1952.1793 107.7132 -206161.6920 17942.7977 0.0000 0.0000 34327.9692 -148993.9494 299.7947 -183321.9186 -148899.0006 299.9772 54.7720 85.9320 557737.9922 8.7686 8.7258 PRESSURE: 3289400 -275.239 8.63264 -78.6585 8.63334 0.0872077 -78.0316 -78.6583 -78.0329 138.518 GPRESSURE: 3289400 -189.622 43.4878 -61.7163 -69.4693 -56.2854 -9.6919 -121.37 -77.0231 211.746 PRESSAVG: 3289400 34.4255 0.66847 -35.5374 0.668568 -18.8272 40.7556 -35.5374 40.7556 -27.4573 GPRESSAVG: 3289400 35.5406 0.492632 -33.792 1.43152 -19.9041 42.4424 -37.2231 40.3697 -27.6798 TIMING: 3289400 CPU: 9533.78, 0.00288822/step Wall: 9533.78, 0.00288822/step, 1.37239 hours remaining, 210.171875 MB of memory in use. ENERGY: 3289400 799.0858 2079.4476 1950.4131 104.7717 -206084.2367 17794.6463 0.0000 0.0000 34455.2674 -148900.6048 300.9064 -183355.8722 -148815.7918 299.8619 -45.5449 -11.3872 556741.9555 -3.9530 -4.0144 PRESSURE: 3289600 -167.934 91.2344 -32.9904 91.2346 -124.03 3.90659 -32.9908 3.90558 104.67 GPRESSURE: 3289600 -96.0567 -5.43455 -50.0497 37.9965 -90.3421 36.4426 -22.764 -44.9504 92.4761 PRESSAVG: 3289600 33.3277 -3.07238 -6.09506 -3.0723 6.59983 -0.156023 -6.09501 -0.156191 -41.5145 GPRESSAVG: 3289600 32.1848 -1.9155 -7.21024 -4.72642 8.21483 0.835077 -3.60959 -0.213712 -41.9528 TIMING: 3289600 CPU: 9534.36, 0.00290968/step Wall: 9534.36, 0.00290968/step, 1.38242 hours remaining, 210.222656 MB of memory in use. ENERGY: 3289600 763.5538 2081.1032 1946.9636 105.8586 -205901.2191 17689.9430 0.0000 0.0000 34438.9606 -148874.8363 300.7640 -183313.7969 -148775.8139 299.8263 -62.4312 -31.3076 556827.6344 -0.5290 -0.5177 PRESSURE: 3289800 347.591 -225.428 95.5425 -225.43 74.155 -169.872 95.5421 -169.872 -118.318 GPRESSURE: 3289800 349.929 -219.968 134.326 -218.159 92.3003 -155.868 82.072 -156.968 -39.6497 PRESSAVG: 3289800 45.3701 -26.491 23.9004 -26.4909 -6.88847 12.7007 23.9003 12.7008 -36.2 GPRESSAVG: 3289800 44.6809 -29.2489 25.5134 -26.5328 -6.47502 13.6136 21.8884 11.5734 -36.2879 TIMING: 3289800 CPU: 9534.94, 0.00291846/step Wall: 9534.94, 0.00291846/step, 1.38643 hours remaining, 210.222656 MB of memory in use. ENERGY: 3289800 751.3413 2101.0991 1970.4663 117.6924 -205832.1531 17802.4218 0.0000 0.0000 34298.8066 -148790.3256 299.5400 -183089.1322 -148696.3768 300.1282 101.1427 134.1933 557750.6426 0.7605 0.6393 PRESSURE: 3290000 -234.185 -32.0904 155.237 -32.0912 -112.394 161.456 155.235 161.455 19.3643 GPRESSURE: 3290000 -195.782 -9.0761 185.943 -70.8114 -82.5603 114.714 144.103 211.03 48.6473 PRESSAVG: 3290000 -8.13304 -48.9239 12.7144 -48.9239 -3.74041 45.8587 12.7144 45.8587 3.83636 GPRESSAVG: 3290000 -7.65476 -47.926 12.105 -48.6566 -4.04645 45.5368 15.664 46.6571 3.31921 TIMING: 3290000 CPU: 9535.52, 0.00288965/step Wall: 9535.52, 0.00288965/step, 1.37258 hours remaining, 210.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3290000 733.5888 2068.4640 1963.6679 112.2434 -205903.6934 17679.4248 0.0000 0.0000 34371.5624 -148974.7421 300.1754 -183346.3045 -148876.1065 300.1159 -109.0716 -76.5651 559475.8696 -2.6790 -2.7940 PRESSURE: 3290200 79.5226 -28.4577 -43.5925 -28.4571 -170.191 84.7336 -43.5925 84.7353 70.8657 GPRESSURE: 3290200 70.3776 36.9676 -98.5815 -49.7614 -106.685 54.6492 -73.388 85.2439 116.584 PRESSAVG: 3290200 76.3273 -29.5388 9.53991 -29.539 -51.2658 37.9359 9.53986 37.9358 -26.7273 GPRESSAVG: 3290200 76.5924 -27.9378 9.66852 -29.9222 -52.664 37.8114 7.28445 38.101 -26.1953 TIMING: 3290200 CPU: 9536.09, 0.00288075/step Wall: 9536.09, 0.00288075/step, 1.3682 hours remaining, 210.222656 MB of memory in use. ENERGY: 3290200 758.8917 2038.7263 1946.5998 107.7884 -206080.7889 17954.1343 0.0000 0.0000 34296.9606 -148977.6877 299.5239 -183274.6483 -148879.8957 300.1248 -6.6010 26.7589 557754.6027 -0.5553 -0.7556 PRESSURE: 3290400 -172.217 -67.2723 -142.249 -67.273 -49.8087 36.3764 -142.249 36.3765 63.5473 GPRESSURE: 3290400 -144.115 -27.9563 -51.8434 -130.065 -13.053 -9.12555 -139.446 46.4712 96.9403 PRESSAVG: 3290400 -36.101 -22.5895 -44.7623 -22.5895 -28.1903 11.2428 -44.7623 11.2428 55.2737 GPRESSAVG: 3290400 -36.3398 -21.9469 -44.3075 -22.1715 -27.5077 11.5424 -45.8589 9.52464 54.4621 TIMING: 3290400 CPU: 9536.67, 0.00287481/step Wall: 9536.67, 0.00287481/step, 1.36522 hours remaining, 210.222656 MB of memory in use. ENERGY: 3290400 728.9138 2091.1467 1944.0361 118.8854 -205982.1055 17772.9889 0.0000 0.0000 34214.3101 -149111.8245 298.8021 -183326.1346 -149018.7721 299.7888 -52.8261 -20.0760 559019.6077 -3.0058 -3.1285 PRESSURE: 3290600 -169.26 -53.5636 19.1428 -53.5635 157.705 -46.0306 19.1441 -46.0313 22.5788 GPRESSURE: 3290600 -133.05 39.7927 46.7542 -57.4501 210.527 15.988 94.7048 -64.1546 30.2739 PRESSAVG: 3290600 -6.22779 -18.0594 -17.5013 -18.0594 -35.2157 52.6244 -17.5013 52.6244 46.4326 GPRESSAVG: 3290600 -7.52147 -19.54 -15.6632 -17.6688 -35.3004 52.6803 -15.3389 52.5322 47.1605 TIMING: 3290600 CPU: 9537.24, 0.00285899/step Wall: 9537.24, 0.00285899/step, 1.35754 hours remaining, 210.222656 MB of memory in use. ENERGY: 3290600 765.8237 2086.3774 1988.4577 123.3440 -206338.3206 17765.9240 0.0000 0.0000 34267.3397 -149341.0541 299.2652 -183608.3939 -149242.0536 299.0050 3.6746 35.9168 557196.4169 1.6630 1.4462 PRESSURE: 3290800 102.391 -190.703 5.05373 -190.701 -137.269 11.8593 5.0532 11.8582 -140.001 GPRESSURE: 3290800 150.242 -156.975 122.618 -149.87 -113.868 -40.9242 79.8649 72.3983 -117.127 PRESSAVG: 3290800 12.0388 -17.425 -4.79579 -17.4249 -4.4481 12.064 -4.79583 12.0641 -0.509267 GPRESSAVG: 3290800 13.9012 -16.2497 -6.33105 -18.9571 -3.58786 11.2948 -5.28697 11.9251 -3.3127 TIMING: 3290800 CPU: 9537.81, 0.00284325/step Wall: 9537.81, 0.00284325/step, 1.34991 hours remaining, 210.222656 MB of memory in use. ENERGY: 3290800 770.1077 2072.5795 1982.2689 125.2669 -206080.8944 17678.1177 0.0000 0.0000 34192.8420 -149259.7117 298.6146 -183452.5537 -149162.9322 298.8836 -58.2930 -26.9177 558027.9462 2.3605 2.3335 PRESSURE: 3291000 -43.4432 -219.585 37.5096 -219.584 -82.7311 -261.91 37.5086 -261.912 -30.4138 GPRESSURE: 3291000 -11.3202 -208.31 46.761 -228.247 -39.3786 -259.182 44.9654 -246.366 -9.08367 PRESSAVG: 3291000 21.1838 -15.5984 16.4477 -15.5985 -7.4571 -39.7972 16.4476 -39.7973 -39.5522 GPRESSAVG: 3291000 21.2582 -15.9965 13.8314 -14.5828 -8.28888 -42.0219 19.5313 -35.8387 -38.9619 TIMING: 3291000 CPU: 9538.38, 0.00287353/step Wall: 9538.38, 0.00287353/step, 1.36413 hours remaining, 210.222656 MB of memory in use. ENERGY: 3291000 753.3854 2092.3048 1983.9630 100.0605 -206059.4076 17655.4717 0.0000 0.0000 34407.1760 -149067.0463 300.4864 -183474.2223 -148971.3102 299.9256 -52.1960 -19.9275 556912.2939 -8.6085 -8.6642 PRESSURE: 3291200 -6.52982 10.8725 -66.5024 10.8713 179.665 -215.607 -66.5007 -215.608 97.8694 GPRESSURE: 3291200 64.1027 -21.1013 -3.03398 15.867 207.69 -220.697 -134.794 -144.173 106.708 PRESSAVG: 3291200 49.384 -81.7307 27.9053 -81.7307 -94.1335 -25.818 27.9052 -25.818 34.507 GPRESSAVG: 3291200 49.8152 -82.7586 28.5022 -79.8837 -94.2673 -24.7755 24.8098 -26.578 34.3906 TIMING: 3291200 CPU: 9538.96, 0.00289925/step Wall: 9538.96, 0.00289925/step, 1.37618 hours remaining, 210.222656 MB of memory in use. ENERGY: 3291200 782.8128 2087.5056 1984.0454 122.3186 -206417.8312 18016.6396 0.0000 0.0000 34315.1945 -149109.3147 299.6831 -183424.5092 -149015.8089 300.3509 90.3350 126.1669 556419.6506 -3.4142 -3.3539 PRESSURE: 3291400 -17.9088 55.1356 -7.37626 55.1357 74.5255 0.963648 -7.37666 0.963807 126.746 GPRESSURE: 3291400 -26.4106 30.3044 35.4245 48.786 92.2947 19.4015 -98.5248 -31.4216 219.737 PRESSAVG: 3291400 -6.98984 -30.0201 10.4897 -30.02 -31.1616 -50.1203 10.4897 -50.1202 21.5912 GPRESSAVG: 3291400 -8.61659 -31.4945 10.8209 -31.8154 -30.3433 -47.7911 10.8558 -52.9829 22.6836 TIMING: 3291400 CPU: 9539.55, 0.00291517/step Wall: 9539.55, 0.00291517/step, 1.38357 hours remaining, 210.222656 MB of memory in use. ENERGY: 3291400 776.8555 2049.8931 1971.9649 127.3501 -206391.0824 17957.4593 0.0000 0.0000 34260.0554 -149247.5039 299.2016 -183507.5594 -149143.2119 298.9057 61.1209 95.2070 557447.6430 -5.5201 -5.4254 PRESSURE: 3291600 -102.785 -42.0601 48.8229 -42.0595 35.1208 -136.914 48.8231 -136.913 134.467 GPRESSURE: 3291600 -53.1664 -3.86816 102.358 -42.4599 53.4152 -184.606 32.4302 -142.78 154.503 PRESSAVG: 3291600 36.0759 -9.84822 -10.7409 -9.84818 -38.3013 -21.7898 -10.7408 -21.7897 -0.198337 GPRESSAVG: 3291600 36.7468 -10.9438 -11.2208 -5.65673 -39.5778 -20.9961 -11.9084 -21.3809 1.1085 TIMING: 3291600 CPU: 9540.13, 0.00288978/step Wall: 9540.13, 0.00288978/step, 1.37136 hours remaining, 210.222656 MB of memory in use. ENERGY: 3291600 768.9054 2093.0956 1949.2938 113.7842 -206104.3113 17881.4081 0.0000 0.0000 34257.3304 -149040.4938 299.1778 -183297.8242 -148943.6240 299.7056 22.2676 51.5840 560687.0697 -0.8079 -0.5742 PRESSURE: 3291800 -209.016 128.139 146.606 128.137 -145.604 70.7114 146.608 70.7132 -255.135 GPRESSURE: 3291800 -185.356 66.8624 177.36 139.622 -107.09 70.4045 141.072 22.2909 -226.179 PRESSAVG: 3291800 48.03 -13.5394 20.3383 -13.5395 -5.17688 -15.1146 20.3384 -15.1147 -48.2746 GPRESSAVG: 3291800 48.0582 -9.74436 21.4536 -18.5269 -3.43195 -17.3839 20.9708 -11.4337 -50.1939 TIMING: 3291800 CPU: 9540.71, 0.00289903/step Wall: 9540.71, 0.00289903/step, 1.37559 hours remaining, 210.222656 MB of memory in use. ENERGY: 3291800 763.9391 2116.7874 1972.1015 107.4052 -205807.8681 17534.3354 0.0000 0.0000 34385.3573 -148927.9424 300.2959 -183313.2996 -148831.0239 300.1932 -203.2513 -172.8751 559924.7816 -1.8072 -1.8559 PRESSURE: 3292000 -240.299 128.068 47.7222 128.067 -124.433 88.0137 47.7242 88.0139 18.8985 GPRESSURE: 3292000 -179.163 179.945 32.4155 105.759 -56.7545 22.2326 -14.059 79.9622 -12.3368 PRESSAVG: 3292000 21.0948 -0.659912 15.1929 -0.65998 -64.4934 4.67149 15.1929 4.67151 46.9321 GPRESSAVG: 3292000 20.9716 -2.07837 14.3712 0.95979 -65.4864 5.0527 14.4505 0.612177 47.8307 TIMING: 3292000 CPU: 9541.28, 0.00289379/step Wall: 9541.28, 0.00289379/step, 1.37294 hours remaining, 210.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3292000 780.0594 2188.0369 1976.4497 116.0050 -205997.0795 17707.6882 0.0000 0.0000 34226.0539 -149002.7864 298.9046 -183228.8403 -148902.7516 299.7557 -115.2779 -82.7514 558940.6166 1.1778 1.1053 PRESSURE: 3292200 94.5255 -130.766 96.2545 -130.766 267.755 83.0798 96.2549 83.079 117.043 GPRESSURE: 3292200 94.6429 -51.1389 51.1245 -102.532 288.133 110.396 220.999 25.4883 197.102 PRESSAVG: 3292200 -8.5215 -18.0961 14.4127 -18.0962 -16.3559 3.30407 14.4128 3.30405 36.648 GPRESSAVG: 3292200 -8.96378 -17.4109 13.7125 -17.7049 -16.6614 4.59855 16.5315 4.63698 37.2048 TIMING: 3292200 CPU: 9541.87, 0.00292942/step Wall: 9541.87, 0.00292942/step, 1.38969 hours remaining, 210.222656 MB of memory in use. ENERGY: 3292200 743.4901 2117.5798 1993.7034 131.5065 -206114.0397 17914.7040 0.0000 0.0000 34238.2966 -148974.7593 299.0116 -183213.0559 -148877.1829 300.4157 159.7743 193.2924 557103.3595 3.9235 3.8599 LDB: ============= START OF LOAD BALANCING ============== 9545.26 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9545.26 LDB: =============== DONE WITH MIGRATION ================ 9545.26 LDB: ============= START OF LOAD BALANCING ============== 9545.55 LDB: Largest compute 4772 load 0.022435 is 19.0% of average load 0.117962 LDB: Average compute 0.001722 is 1.5% of average load 0.117962 LDB: TIME 9545.55 LOAD: AVG 0.117962 MAX 0.179174 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.895 MB LDB: TIME 9545.55 LOAD: AVG 0.117962 MAX 0.179174 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.895 MB LDB: TIME 9545.55 LOAD: AVG 0.117962 MAX 0.179174 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9545.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9545.56 PRESSURE: 3292400 -363.472 40.2583 26.2821 40.2575 -51.5846 -70.6109 26.2816 -70.6111 70.836 GPRESSURE: 3292400 -355.983 -16.324 53.1556 84.6413 -39.2759 -35.8062 14.8291 -144.238 142.761 PRESSAVG: 3292400 -17.0862 -36.1923 17.2959 -36.1923 -69.3173 -26.2079 17.2958 -26.2078 60.2541 GPRESSAVG: 3292400 -16.4429 -35.3677 16.5535 -38.1259 -69.397 -28.5877 16.3403 -25.2002 59.5528 TIMING: 3292400 CPU: 9542.46, 0.00296974/step Wall: 9542.46, 0.00296974/step, 1.40865 hours remaining, 210.890625 MB of memory in use. ENERGY: 3292400 761.5186 2125.2662 1979.1997 120.8765 -205701.4901 17478.5166 0.0000 0.0000 34193.6850 -149042.4276 298.6220 -183236.1125 -148946.3355 300.0743 -114.7403 -84.1660 558243.9616 -8.7165 -8.7624 PRESSURE: 3292600 17.9096 230.898 -27.505 230.898 -124.542 -65.7178 -27.5051 -65.7208 117.149 GPRESSURE: 3292600 39.635 302.009 -15.1862 136.815 -96.9646 -56.3606 1.44088 -59.6674 162.206 PRESSAVG: 3292600 24.4259 26.9687 -41.4569 26.9687 4.36284 -24.7519 -41.457 -24.7521 -30.7969 GPRESSAVG: 3292600 25.3987 25.1435 -42.4356 27.2456 4.01262 -21.5862 -39.7426 -24.7228 -31.4313 TIMING: 3292600 CPU: 9543.05, 0.00290739/step Wall: 9543.05, 0.00290739/step, 1.37891 hours remaining, 211.089844 MB of memory in use. ENERGY: 3292600 754.9942 2159.2832 1990.4209 114.6592 -205906.4045 17710.4453 0.0000 0.0000 34280.8606 -148895.7412 299.3833 -183176.6018 -148794.9997 299.6896 3.5053 34.9587 556293.5774 -0.6694 -0.6733 PRESSURE: 3292800 15.098 9.9799 41.0345 9.98111 -140.883 -205.597 41.0351 -205.595 -396.91 GPRESSURE: 3292800 44.7656 75.9747 -43.6065 -5.66761 -77.504 -135.206 -34.3118 -122.421 -382.582 PRESSAVG: 3292800 29.9219 49.9683 -26.5884 49.9684 34.2771 -45.838 -26.5885 -45.8379 -56.148 GPRESSAVG: 3292800 28.4142 51.157 -24.0556 50.4743 34.622 -45.6216 -27.6405 -48.3171 -55.1288 TIMING: 3292800 CPU: 9543.63, 0.00289893/step Wall: 9543.63, 0.00289893/step, 1.37473 hours remaining, 211.089844 MB of memory in use. ENERGY: 3292800 791.5851 2153.2684 1968.9636 112.0329 -205521.4396 17550.4281 0.0000 0.0000 34210.9786 -148734.1830 298.7730 -182945.1616 -148630.6847 299.7132 -174.2315 -138.4400 559820.5828 2.6836 2.6358 PRESSURE: 3293000 209.746 -32.6285 28.9159 -32.6281 19.8641 64.3543 28.9169 64.3554 -283.455 GPRESSURE: 3293000 198.326 7.5009 -18.6485 -33.7768 88.8202 160.756 40.7612 30.7852 -245.507 PRESSAVG: 3293000 25.799 -6.75265 -36.0913 -6.75261 64.9078 29.0267 -36.0912 29.0266 -104.423 GPRESSAVG: 3293000 26.8746 -8.44365 -36.3132 -4.56006 63.7843 26.9061 -36.8018 31.8696 -104.172 TIMING: 3293000 CPU: 9544.21, 0.00293022/step Wall: 9544.21, 0.00293022/step, 1.38941 hours remaining, 211.101562 MB of memory in use. ENERGY: 3293000 764.1250 2193.5017 1944.9768 107.1909 -205963.8148 17843.2326 0.0000 0.0000 34438.6606 -148672.1273 300.7614 -183110.7879 -148581.2334 300.8511 -17.9483 13.8800 558259.3098 -4.5720 -4.5042 PRESSURE: 3293200 57.1669 38.1992 -6.14295 38.1996 -51.7041 61.13 -6.14463 61.1304 -30.2349 GPRESSURE: 3293200 74.4869 29.0342 -39.1657 -29.4396 25.2967 60.297 -0.371023 82.8044 -18.2556 PRESSAVG: 3293200 57.6102 -8.93735 -79.9181 -8.93748 -4.39828 10.2638 -79.9181 10.2639 -10.0031 GPRESSAVG: 3293200 56.9631 -5.61919 -77.9487 -9.46244 -3.78283 10.9803 -81.8118 12.2154 -9.66656 TIMING: 3293200 CPU: 9544.79, 0.00290021/step Wall: 9544.79, 0.00290021/step, 1.37502 hours remaining, 211.101562 MB of memory in use. ENERGY: 3293200 730.9516 2132.8331 1969.5183 124.4655 -206232.8769 17785.8805 0.0000 0.0000 34654.4664 -148834.7615 302.6461 -183489.2280 -148741.3842 300.0494 -8.2574 27.1760 557844.5395 14.4029 14.5046 PRESSURE: 3293400 91.1076 -36.4432 47.9316 -36.4439 -48.9384 -69.9321 47.9303 -69.9323 -250.063 GPRESSURE: 3293400 129.088 -34.7072 24.8142 4.717 -56.4784 -10.0314 84.0429 -26.0328 -179.268 PRESSAVG: 3293400 -39.8228 -9.10498 2.95917 -9.105 32.7743 -7.50452 2.95909 -7.50454 -8.54989 GPRESSAVG: 3293400 -38.9739 -10.9882 2.18458 -9.82226 32.3321 -7.0916 6.45237 -11.0846 -8.91865 TIMING: 3293400 CPU: 9545.37, 0.00289499/step Wall: 9545.37, 0.00289499/step, 1.37239 hours remaining, 211.101562 MB of memory in use. ENERGY: 3293400 762.1676 2133.4201 1961.5584 113.5049 -205984.2326 17764.8985 0.0000 0.0000 34542.0694 -148706.6138 301.6645 -183248.6832 -148620.0318 300.9514 -69.2980 -35.5529 557521.7535 -5.1994 -5.1868 PRESSURE: 3293600 -262.473 -23.058 -32.3027 -23.0583 31.776 23.9565 -32.3035 23.957 -271.539 GPRESSURE: 3293600 -233.843 -51.8272 -53.6701 60.8165 47.1166 63.686 -74.472 21.7331 -223.062 PRESSAVG: 3293600 18.7459 -8.20439 -3.37957 -8.20444 25.2456 35.3865 -3.37955 35.3865 -30.4943 GPRESSAVG: 3293600 17.7738 -8.093 -5.35032 -8.39468 26.5198 33.6773 -4.2365 36.9221 -30.8691 TIMING: 3293600 CPU: 9545.95, 0.0028973/step Wall: 9545.95, 0.0028973/step, 1.37332 hours remaining, 211.101562 MB of memory in use. ENERGY: 3293600 741.1426 2124.4391 1958.1269 120.0547 -205967.2138 17529.0855 0.0000 0.0000 34534.8343 -148959.5307 301.6013 -183494.3650 -148865.9313 300.5851 -167.4122 -136.5964 557887.6880 4.4991 4.4749 PRESSURE: 3293800 105.49 -49.5502 -40.601 -49.5511 212.126 44.3366 -40.6004 44.3365 87.4423 GPRESSURE: 3293800 134.981 -76.9156 -15.2712 -83.6902 245.771 52.1636 -47.3075 32.3998 124.287 PRESSAVG: 3293800 27.9893 -25.1128 -8.87801 -25.1127 56.2101 23.2027 -8.87802 23.2026 -15.7454 GPRESSAVG: 3293800 28.2341 -23.8599 -7.73001 -24.0762 55.6157 24.2238 -9.95051 23.4254 -14.7308 TIMING: 3293800 CPU: 9546.54, 0.00292934/step Wall: 9546.54, 0.00292934/step, 1.38834 hours remaining, 211.101562 MB of memory in use. ENERGY: 3293800 738.9679 2075.3139 1988.6171 114.7094 -205971.3802 17731.7116 0.0000 0.0000 34307.6037 -149014.4566 299.6168 -183322.0604 -148917.9926 300.3429 135.0194 168.3467 556069.3296 22.8180 23.0396 PRESSURE: 3294000 -32.4426 -0.038737 179.454 -0.0390185 131.369 -79.076 179.453 -79.0771 -109.244 GPRESSURE: 3294000 55.299 5.50672 148.282 66.5373 100.021 -39.7421 208.724 -121.353 -65.4345 PRESSAVG: 3294000 15.9178 13.9531 -11.3089 13.9531 43.9254 -43.6822 -11.3089 -43.6823 -51.1305 GPRESSAVG: 3294000 17.4931 15.6743 -11.3523 13.0139 43.6759 -44.5546 -9.67743 -45.3252 -52.6069 TIMING: 3294000 CPU: 9547.12, 0.00292179/step Wall: 9547.12, 0.00292179/step, 1.38461 hours remaining, 211.101562 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: 3294000 756.7142 2083.8719 1932.2121 118.7278 -205997.5187 17759.7087 0.0000 0.0000 34391.2833 -148955.0007 300.3476 -183346.2840 -148862.0947 300.1542 -3.4391 29.9620 556990.5768 2.9042 2.8541 PRESSURE: 3294200 36.2677 151.615 25.8206 151.615 25.287 130.365 25.8211 130.365 -47.6675 GPRESSURE: 3294200 47.4662 115.861 -7.5584 140.123 15.3723 195.845 52.5279 90.0609 40.2509 PRESSAVG: 3294200 44.5639 49.6765 38.406 49.6765 -0.658961 -51.1783 38.4058 -51.1781 -51.8217 GPRESSAVG: 3294200 44.1416 45.7178 39.506 51.1253 -0.447508 -49.5725 37.8283 -51.7325 -51.4674 TIMING: 3294200 CPU: 9547.7, 0.00289014/step Wall: 9547.7, 0.00289014/step, 1.36944 hours remaining, 211.101562 MB of memory in use. ENERGY: 3294200 742.6625 2101.2956 1961.8473 106.5749 -205838.6618 17699.0790 0.0000 0.0000 34120.5517 -149106.6508 297.9833 -183227.2025 -149004.5165 299.0326 4.6291 34.3632 557121.5905 -2.6389 -2.5911 PRESSURE: 3294400 -156.932 19.6757 37.3677 19.6743 4.42598 -34.8143 37.3672 -34.8153 -122.113 GPRESSURE: 3294400 -34.8341 -78.9701 -2.31965 82.3093 -44.6187 47.6271 119.656 -119.081 -113.089 PRESSAVG: 3294400 21.1925 29.2885 -11.5918 29.2884 -13.3573 -1.14443 -11.5918 -1.14447 -27.6532 GPRESSAVG: 3294400 19.9621 31.4964 -11.095 29.109 -12.9152 -0.609186 -12.8448 1.46396 -26.9162 TIMING: 3294400 CPU: 9548.28, 0.00289182/step Wall: 9548.28, 0.00289182/step, 1.37008 hours remaining, 211.101562 MB of memory in use. ENERGY: 3294400 753.2339 2107.5076 1961.9764 108.7890 -206141.4877 17715.0632 0.0000 0.0000 34250.8702 -149244.0474 299.1214 -183494.9176 -149149.7237 299.4304 -91.5394 -64.1807 558044.8956 -6.6060 -6.6231 PRESSURE: 3294600 -173.928 -83.495 31.2398 -83.4949 145.248 51.8997 31.2412 51.8988 28.329 GPRESSURE: 3294600 -64.0531 -117.267 81.6304 -41.3364 116.33 96.1788 2.48163 29.8118 53.2281 PRESSAVG: 3294600 29.2742 16.3709 16.8415 16.3708 56.3094 -70.365 16.8415 -70.365 -70.1463 GPRESSAVG: 3294600 28.9569 15.1918 16.8153 16.7349 56.533 -69.203 17.8184 -72.0446 -69.9336 TIMING: 3294600 CPU: 9548.86, 0.00289936/step Wall: 9548.86, 0.00289936/step, 1.37349 hours remaining, 211.101562 MB of memory in use. ENERGY: 3294600 761.5994 2069.7034 1958.3120 122.2772 -206202.2198 17812.0868 0.0000 0.0000 34397.4236 -149080.8174 300.4013 -183478.2410 -148986.1537 299.5253 -0.1168 35.1682 557978.6638 5.1458 5.1854 PRESSURE: 3294800 57.7059 41.031 -63.721 41.0326 408.501 71.9441 -63.7212 71.9434 -66.8002 GPRESSURE: 3294800 63.5791 69.2346 -96.8434 -17.3213 470.274 -1.58236 -41.8326 79.4538 -55.2279 PRESSAVG: 3294800 35.2841 -9.66161 -18.3862 -9.66166 12.0709 -29.1844 -18.3863 -29.1846 12.0611 GPRESSAVG: 3294800 36.0395 -8.8952 -19.6363 -9.96676 11.188 -29.9943 -18.1997 -26.8774 11.973 TIMING: 3294800 CPU: 9549.44, 0.0029112/step Wall: 9549.44, 0.0029112/step, 1.37894 hours remaining, 211.101562 MB of memory in use. ENERGY: 3294800 730.7403 2054.9755 1969.6934 103.2221 -206289.7993 17869.0798 0.0000 0.0000 34332.0544 -149230.0337 299.8304 -183562.0882 -149135.8223 299.7327 133.1354 159.5416 557824.5155 19.8053 19.7335 PRESSURE: 3295000 -96.472 25.0434 -60.578 25.0448 59.2344 86.9215 -60.5798 86.9205 21.9065 GPRESSURE: 3295000 -79.9362 33.4498 -79.9946 19.1165 76.5184 45.7583 -49.8389 160.179 86.9888 PRESSAVG: 3295000 -81.2305 17.4235 -53.0625 17.4235 91.5431 -30.6621 -53.0625 -30.6622 -10.0808 GPRESSAVG: 3295000 -81.2908 15.6369 -51.4618 16.0685 91.5277 -30.5149 -54.3802 -33.9795 -9.85852 TIMING: 3295000 CPU: 9550.02, 0.00291059/step Wall: 9550.02, 0.00291059/step, 1.37849 hours remaining, 211.101562 MB of memory in use. ENERGY: 3295000 735.6738 2107.1495 1968.3649 116.0092 -205930.2652 17791.4922 0.0000 0.0000 34055.5486 -149156.0268 297.4156 -183211.5754 -149056.8155 299.3967 -5.1104 27.8570 559331.3515 0.0773 0.1261 PRESSURE: 3295200 -123.45 28.2551 3.79336 28.2556 125.105 37.4733 3.79131 37.4749 188.432 GPRESSURE: 3295200 -54.3374 -130.429 -95.7754 69.054 129.984 96.3035 53.9755 35.0393 214.304 PRESSAVG: 3295200 -67.6937 -21.2256 17.9357 -21.2256 51.8361 60.0559 17.9357 60.0559 50.7708 GPRESSAVG: 3295200 -67.028 -21.8381 17.5918 -20.5665 50.7555 59.2007 18.0703 62.0964 51.2623 TIMING: 3295200 CPU: 9550.6, 0.00289964/step Wall: 9550.6, 0.00289964/step, 1.37314 hours remaining, 211.101562 MB of memory in use. ENERGY: 3295200 746.2287 2116.5464 1957.4051 119.2227 -206438.7417 17974.0129 0.0000 0.0000 34245.1979 -149280.1279 299.0718 -183525.3258 -149181.2487 299.3795 63.3623 96.6500 557134.4850 11.6377 11.6633 PRESSURE: 3295400 395.853 -58.8079 64.2989 -58.807 40.3499 -38.1489 64.2996 -38.1477 -203.343 GPRESSURE: 3295400 411.969 -38.6406 17.9523 -44.2141 94.7424 -80.0311 46.5359 -29.0977 -178.593 PRESSAVG: 3295400 -8.76261 -56.8632 22.3439 -56.8633 -9.59821 15.1443 22.3438 15.1442 12.911 GPRESSAVG: 3295400 -9.58992 -55.9111 21.8979 -56.4576 -8.45097 15.7704 22.1335 14.3159 12.9492 TIMING: 3295400 CPU: 9551.18, 0.0028906/step Wall: 9551.18, 0.0028906/step, 1.3687 hours remaining, 211.101562 MB of memory in use. ENERGY: 3295400 771.3649 2087.8247 1966.9158 129.8211 -206591.8040 18015.1332 0.0000 0.0000 34432.9606 -149187.7838 300.7116 -183620.7444 -149092.6999 299.1518 77.6201 109.3727 557524.4726 -1.8166 -1.6972 PRESSURE: 3295600 -306.365 92.8177 59.1554 92.8179 -154.072 96.5539 59.1551 96.5548 7.14054 GPRESSURE: 3295600 -232.976 122.026 52.0643 130.208 -144.063 88.3333 24.6145 -8.62449 24.2266 PRESSAVG: 3295600 42.7411 -30.4524 27.6551 -30.4525 -2.85942 72.703 27.6551 72.703 -3.46827 GPRESSAVG: 3295600 43.7023 -28.7284 28.5251 -32.0082 -2.75178 70.3568 29.1457 72.4462 -4.27996 TIMING: 3295600 CPU: 9551.76, 0.00288846/step Wall: 9551.76, 0.00288846/step, 1.36753 hours remaining, 211.101562 MB of memory in use. ENERGY: 3295600 776.5825 2125.4081 1942.1744 112.7113 -206199.7659 17669.4659 0.0000 0.0000 34327.0622 -149246.3616 299.7868 -183573.4238 -149147.4176 300.1635 -151.0987 -117.6040 557477.9073 12.1378 12.2235 PRESSURE: 3295800 29.4985 -43.1835 -168.746 -43.1827 90.1032 -54.098 -168.745 -54.0975 -248.008 GPRESSURE: 3295800 19.5779 -7.83695 -149.766 -85.6073 132.19 -102.845 -60.476 -61.2211 -158.844 PRESSAVG: 3295800 20.763 -8.21874 49.0627 -8.21875 -7.88845 -21.5301 49.0628 -21.5299 38.3741 GPRESSAVG: 3295800 20.2436 -8.27888 48.0981 -6.79471 -7.42985 -20.2491 48.8429 -23.2896 38.3577 TIMING: 3295800 CPU: 9552.34, 0.0028938/step Wall: 9552.34, 0.0028938/step, 1.36989 hours remaining, 211.101562 MB of memory in use. ENERGY: 3295800 784.3067 2114.1227 1968.1870 109.9588 -206611.8241 17888.8242 0.0000 0.0000 34306.9786 -149439.4461 299.6114 -183746.4248 -149341.5041 298.9244 -42.8021 -2.3584 556103.9187 17.0829 17.0571 PRESSURE: 3296000 -103.81 85.5372 47.392 85.5369 338.261 47.0055 47.3931 47.0054 -211.615 GPRESSURE: 3296000 -59.2984 84.3591 97.5498 101.523 324.747 22.6462 27.4889 79.0327 -130.402 PRESSAVG: 3296000 -9.4102 -37.5569 -56.8172 -37.5569 -14.2654 18.7017 -56.8173 18.7016 -23.3792 GPRESSAVG: 3296000 -8.32797 -37.688 -57.1185 -38.0098 -15.8759 18.9645 -55.8482 19.8251 -22.7237 TIMING: 3296000 CPU: 9552.91, 0.00285283/step Wall: 9552.91, 0.00285283/step, 1.35034 hours remaining, 211.101562 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: 3296000 770.0217 2098.4118 1981.9835 125.6936 -206773.8188 18146.0449 0.0000 0.0000 34256.4297 -149395.2337 299.1699 -183651.6634 -149294.4020 298.8435 7.6119 45.0157 557565.0164 -15.6849 -15.6425 PRESSURE: 3296200 27.7902 3.58845 46.2446 3.58958 160.72 19.6537 46.2452 19.6549 -90.9958 GPRESSURE: 3296200 83.262 -25.5485 -46.1755 -11.5328 182.066 59.6569 103.54 37.9293 -70.226 PRESSAVG: 3296200 -8.10461 -21.0144 42.0293 -21.0143 63.4196 18.1587 42.0293 18.1588 -78.8877 GPRESSAVG: 3296200 -9.27581 -21.5276 41.9962 -20.027 64.8121 19.3547 41.9757 20.3219 -78.7398 TIMING: 3296200 CPU: 9553.48, 0.00286966/step Wall: 9553.48, 0.00286966/step, 1.35814 hours remaining, 211.101562 MB of memory in use. ENERGY: 3296200 770.1128 2102.7143 1941.3115 117.0569 -207082.3274 18207.5350 0.0000 0.0000 34342.9277 -149600.6692 299.9253 -183943.5969 -149511.3504 299.2477 32.5049 65.0339 556524.0831 -7.8576 -7.7345 LDB: ============= START OF LOAD BALANCING ============== 9556.86 LDB: ============== END OF LOAD BALANCING =============== 9556.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9556.87 LDB: ============= START OF LOAD BALANCING ============== 9557.15 LDB: Largest compute 4772 load 0.025561 is 21.7% of average load 0.117964 LDB: Average compute 0.001733 is 1.5% of average load 0.117964 LDB: TIME 9557.16 LOAD: AVG 0.117964 MAX 0.175973 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.188 MB LDB: TIME 9557.16 LOAD: AVG 0.117964 MAX 0.175973 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.188 MB LDB: TIME 9557.16 LOAD: AVG 0.117964 MAX 0.175973 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.188 MB LDB: ============== END OF LOAD BALANCING =============== 9557.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9557.16 PRESSURE: 3296400 -157.565 -57.3344 126.359 -57.3329 114.716 72.2517 126.359 72.2533 14.9287 GPRESSURE: 3296400 -125.981 -64.0515 98.5463 -107.443 95.9799 40.645 172.416 90.5551 107.142 PRESSAVG: 3296400 1.16768 -33.4698 43.7883 -33.4698 39.2887 21.2874 43.7883 21.2875 -49.6474 GPRESSAVG: 3296400 1.434 -32.8738 44.2651 -35.9266 38.5994 21.2759 45.5733 19.9546 -49.7526 TIMING: 3296400 CPU: 9554.07, 0.00293082/step Wall: 9554.07, 0.00293082/step, 1.38693 hours remaining, 210.699219 MB of memory in use. ENERGY: 3296400 736.9832 2085.0104 1973.3272 126.7139 -206641.7640 17878.2485 0.0000 0.0000 34283.6661 -149557.8147 299.4078 -183841.4808 -149462.1025 298.5181 -9.3068 25.7137 558124.2706 -3.0637 -3.2397 PRESSURE: 3296600 -108.653 25.7745 -62.0986 25.7758 -167.205 64.0093 -62.0988 64.0076 -178.237 GPRESSURE: 3296600 -65.3496 31.026 -61.1303 60.445 -143.796 144.005 -75.6239 -100.587 -146.99 PRESSAVG: 3296600 -3.47266 5.34853 -7.21964 5.34849 13.655 10.496 -7.21969 10.4958 -7.9794 GPRESSAVG: 3296600 -5.19786 3.96208 -5.92396 7.99521 14.1355 9.96964 -9.3133 9.5252 -7.12419 TIMING: 3296600 CPU: 9554.64, 0.0028918/step Wall: 9554.64, 0.0028918/step, 1.3683 hours remaining, 210.902344 MB of memory in use. ENERGY: 3296600 750.1497 2151.8471 1934.4978 118.2318 -206613.4409 17869.4530 0.0000 0.0000 34122.4718 -149666.7897 298.0000 -183789.2615 -149571.0380 299.6812 -151.3651 -118.7121 557429.7356 0.7343 0.6045 PRESSURE: 3296800 -242.206 -10.078 -141.413 -10.0784 -206.338 155.323 -141.414 155.323 72.3075 GPRESSURE: 3296800 -196.075 -0.39531 -115.396 -100.887 -169.193 165.129 -141.987 68.3836 96.218 PRESSAVG: 3296800 13.2996 -29.6925 13.5647 -29.6925 -30.4531 -0.995983 13.5647 -0.99605 2.18331 GPRESSAVG: 3296800 13.682 -29.7989 9.42007 -31.9219 -31.104 -1.25681 14.0951 0.902034 2.3058 TIMING: 3296800 CPU: 9555.22, 0.00287647/step Wall: 9555.22, 0.00287647/step, 1.36089 hours remaining, 210.902344 MB of memory in use. ENERGY: 3296800 708.8662 2084.7916 1962.4163 98.7346 -206419.9690 17680.5879 0.0000 0.0000 34169.9756 -149714.5969 298.4149 -183884.5725 -149619.9118 298.1570 -125.4122 -89.6834 556757.9753 -4.9901 -5.0387 PRESSURE: 3297000 -229.991 -47.7797 14.6718 -47.7809 -126.384 12.3948 14.6707 12.3951 -154.965 GPRESSURE: 3297000 -212.984 -71.5476 -28.8146 -10.9264 -74.2971 83.8418 101.206 60.9421 -127.081 PRESSAVG: 3297000 56.9797 9.64097 20.017 9.64086 5.8705 -60.8644 20.0169 -60.8644 -29.0379 GPRESSAVG: 3297000 58.8128 9.656 21.9121 11.3808 5.51286 -58.9236 20.1844 -63.8659 -30.1699 TIMING: 3297000 CPU: 9555.8, 0.0028872/step Wall: 9555.8, 0.0028872/step, 1.3658 hours remaining, 210.902344 MB of memory in use. ENERGY: 3297000 781.9441 2086.4378 1958.8487 115.1008 -206219.6041 17497.4388 0.0000 0.0000 34137.1039 -149642.7300 298.1278 -183779.8339 -149546.6846 298.5624 -170.4464 -138.1209 555630.3648 11.2708 11.3852 PRESSURE: 3297200 -24.3198 70.7015 38.5809 70.7023 -50.3899 -2.53599 38.5819 -2.53659 -264.041 GPRESSURE: 3297200 -2.44154 -26.3712 108.093 21.3865 -24.2692 -4.66484 13.3671 63.2317 -217.872 PRESSAVG: 3297200 3.89861 2.7404 23.4723 2.74041 6.32197 -15.7166 23.4722 -15.7165 -29.2916 GPRESSAVG: 3297200 2.71485 4.2724 22.3504 1.13465 7.89971 -17.0454 23.8726 -12.8284 -30.0173 TIMING: 3297200 CPU: 9556.37, 0.00288907/step Wall: 9556.37, 0.00288907/step, 1.36653 hours remaining, 210.902344 MB of memory in use. ENERGY: 3297200 733.2819 2201.8084 1951.0408 108.7001 -206370.2817 17696.8937 0.0000 0.0000 34135.0708 -149543.4861 298.1101 -183678.5569 -149446.4320 298.0462 -112.9169 -81.5275 557187.9590 -6.3570 -6.4676 PRESSURE: 3297400 -30.7092 67.4104 -160.023 67.411 13.5155 -17.2258 -160.024 -17.2251 -0.447819 GPRESSURE: 3297400 -17.0204 93.0658 -116 -6.04606 54.9631 -18.3569 -116.891 0.654035 26.7931 PRESSAVG: 3297400 22.8664 -31.1122 -0.309263 -31.1123 8.47709 54.1097 -0.309288 54.1097 -15.2166 GPRESSAVG: 3297400 24.0254 -32.8172 1.10243 -30.6145 6.11536 51.9936 -1.17777 51.6666 -14.1239 TIMING: 3297400 CPU: 9556.96, 0.00290158/step Wall: 9556.96, 0.00290158/step, 1.37229 hours remaining, 210.902344 MB of memory in use. ENERGY: 3297400 762.3228 2152.9497 1962.7084 121.7838 -206366.3028 17767.7858 0.0000 0.0000 34169.8146 -149428.9376 298.4135 -183598.7522 -149344.8890 298.2482 -5.8805 21.5786 557089.7864 5.3756 5.3390 PRESSURE: 3297600 199.854 4.98876 -30.1822 4.99029 291.622 -79.4189 -30.1824 -79.4185 18.1681 GPRESSURE: 3297600 205.823 39.8979 -39.9562 -46.3415 328.951 -87.8531 52.5342 -82.6252 67.4608 PRESSAVG: 3297600 -0.512178 11.8755 -25.7005 11.8755 0.134369 -6.18275 -25.7005 -6.18266 42.0672 GPRESSAVG: 3297600 -1.42865 13.5268 -24.1037 12.9207 1.24762 -6.37388 -24.9839 -5.14384 41.5604 TIMING: 3297600 CPU: 9557.53, 0.00289516/step Wall: 9557.53, 0.00289516/step, 1.36909 hours remaining, 210.902344 MB of memory in use. ENERGY: 3297600 714.1701 2158.7014 1984.5736 119.8536 -206480.1695 18018.1551 0.0000 0.0000 34137.0611 -149347.6547 298.1274 -183484.7157 -149249.0549 298.8381 169.8814 200.7447 556820.2015 13.8965 13.7931 PRESSURE: 3297800 102.36 -12.1094 47.5378 -12.1101 121.53 -32.5813 47.5374 -32.5799 125.33 GPRESSURE: 3297800 131.562 25.2915 130.976 56.8792 152.037 72.4557 17.8428 -3.95882 168.132 PRESSAVG: 3297800 -16.879 15.7048 -18.0887 15.7048 -4.75298 -37.5999 -18.0887 -37.5998 -32.9055 GPRESSAVG: 3297800 -18.3932 15.8941 -20.2234 14.2589 -3.49256 -36.8232 -18.3599 -38.5742 -32.9042 TIMING: 3297800 CPU: 9558.11, 0.00287919/step Wall: 9558.11, 0.00287919/step, 1.36138 hours remaining, 210.902344 MB of memory in use. ENERGY: 3297800 762.9846 2176.7071 1957.2413 107.6289 -206914.2015 18195.5078 0.0000 0.0000 34216.5431 -149497.5887 298.8216 -183714.1318 -149403.6817 298.4793 116.4064 150.5769 557028.7578 -18.1792 -18.2633 PRESSURE: 3298000 -121.333 -179.772 4.3092 -179.772 179.684 -146.434 4.30931 -146.435 64.6899 GPRESSURE: 3298000 -104.622 -136.531 20.9371 -117.563 238.668 -177.181 -41.6877 -84.2633 101.993 PRESSAVG: 3298000 -33.1361 22.4925 -47.014 22.4925 8.48119 10.7268 -47.0139 10.7268 1.5971 GPRESSAVG: 3298000 -32.7658 20.9869 -46.3174 24.9541 6.75158 8.94537 -46.6824 12.9341 3.22664 TIMING: 3298000 CPU: 9558.69, 0.00288799/step Wall: 9558.69, 0.00288799/step, 1.36538 hours remaining, 210.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3298000 783.4936 2085.3407 1964.0710 111.9785 -206542.5273 17900.4505 0.0000 0.0000 34211.5145 -149485.6785 298.7777 -183697.1930 -149392.7631 298.4734 41.0136 78.6795 555911.1547 -7.6859 -7.5959 PRESSURE: 3298200 209.069 100.17 106.506 100.171 92.1104 -44.7663 106.507 -44.766 29.1232 GPRESSURE: 3298200 272.845 4.47752 179.798 74.9306 110.867 -37.5907 -2.36263 -0.37098 53.3046 PRESSAVG: 3298200 44.4824 28.5859 -13.8481 28.5859 -0.185941 22.7942 -13.8482 22.7941 -33.377 GPRESSAVG: 3298200 45.7069 29.4238 -13.3398 25.671 -0.0281383 24.7956 -14.3002 22.5838 -34.4611 TIMING: 3298200 CPU: 9559.26, 0.00288506/step Wall: 9559.26, 0.00288506/step, 1.36383 hours remaining, 210.902344 MB of memory in use. ENERGY: 3298200 784.6788 2056.2733 1977.2809 115.1297 -206697.9982 18103.7526 0.0000 0.0000 34306.6126 -149354.2703 299.6082 -183660.8829 -149264.5832 298.8205 110.1010 145.6723 558085.6421 3.6398 3.7392 PRESSURE: 3298400 -96.9225 -9.2636 19.7484 -9.26492 -119.163 134.366 19.7464 134.367 198.897 GPRESSURE: 3298400 -57.1094 -79.3749 86.7994 58.6358 -47.2121 159.775 -49.6006 117.292 195.282 PRESSAVG: 3298400 -60.8438 -6.65626 -10.4549 -6.65631 24.9545 -14.9309 -10.455 -14.9309 47.5762 GPRESSAVG: 3298400 -60.9071 -8.24341 -11.1714 -2.97416 26.0541 -15.3604 -11.5473 -13.3688 46.6526 TIMING: 3298400 CPU: 9559.84, 0.00289986/step Wall: 9559.84, 0.00289986/step, 1.37067 hours remaining, 210.902344 MB of memory in use. ENERGY: 3298400 730.9870 2136.2230 1950.6530 114.9016 -206425.0128 17874.3588 0.0000 0.0000 34103.4092 -149514.4803 297.8336 -183617.8894 -149412.8140 298.6283 -5.7298 30.3202 557364.6572 3.8957 3.9332 PRESSURE: 3298600 -20.1731 84.6569 31.1901 84.6579 -48.7517 -118.647 31.189 -118.647 152.098 GPRESSURE: 3298600 -33.5439 121.644 -15.9871 30.18 -14.9993 -60.1969 71.847 -160.422 227.47 PRESSAVG: 3298600 -17.4623 -33.5276 -19.4782 -33.5276 16.2396 12.8611 -19.4782 12.8611 33.4823 GPRESSAVG: 3298600 -18.7664 -31.2742 -18.9086 -37.3735 15.0025 14.5278 -17.4535 10.2971 35.7592 TIMING: 3298600 CPU: 9560.42, 0.00289253/step Wall: 9560.42, 0.00289253/step, 1.36704 hours remaining, 210.902344 MB of memory in use. ENERGY: 3298600 769.3782 2166.3181 1943.2527 120.4736 -206687.3536 17945.2789 0.0000 0.0000 34395.7280 -149346.9241 300.3864 -183742.6521 -149251.9008 297.8883 27.7243 59.6423 557069.6363 10.7532 10.6651 PRESSURE: 3298800 -35.8223 -152.12 -56.1295 -152.12 -115.2 7.17408 -56.13 7.17462 -124.896 GPRESSURE: 3298800 -11.1703 -96.8481 -14.7867 -102.876 -82.4734 69.8614 -182.86 59.3351 -91.4936 PRESSAVG: 3298800 -13.0859 -63.0674 -24.2139 -63.0674 -63.1486 9.83866 -24.2139 9.83866 66.3473 GPRESSAVG: 3298800 -11.5562 -62.7096 -25.5887 -60.5674 -62.8099 7.95355 -26.4279 11.0885 65.0032 TIMING: 3298800 CPU: 9561, 0.00289055/step Wall: 9561, 0.00289055/step, 1.36594 hours remaining, 210.902344 MB of memory in use. ENERGY: 3298800 749.9798 2141.9855 1948.7832 115.9456 -206200.7575 17761.3325 0.0000 0.0000 34363.8195 -149118.9114 300.1078 -183482.7309 -149025.3550 299.2607 -91.9727 -61.7124 558409.8464 -3.2957 -3.1209 PRESSURE: 3299000 -106.837 152.856 -85.259 152.856 -9.51566 98.4946 -85.26 98.4957 23.2494 GPRESSURE: 3299000 -23.3772 104.378 -15.6711 121.763 -55.1642 176.514 -67.0443 55.6348 81.2848 PRESSAVG: 3299000 -20.6985 -35.2055 16.7627 -35.2054 5.44893 32.3429 16.7627 32.3429 64.7942 GPRESSAVG: 3299000 -21.2992 -36.3605 18.7417 -34.7121 4.68818 31.9648 18.6456 32.9212 65.9281 TIMING: 3299000 CPU: 9561.58, 0.00288874/step Wall: 9561.58, 0.00288874/step, 1.36493 hours remaining, 210.902344 MB of memory in use. ENERGY: 3299000 742.0580 2105.7890 1933.3175 111.0882 -206036.9950 17699.4989 0.0000 0.0000 34259.2408 -149186.0026 299.1945 -183445.2434 -149086.0920 299.9316 -31.0345 0.9144 558301.8112 16.5149 16.4390 PRESSURE: 3299200 97.4278 -8.33484 -10.1576 -8.3335 -22.2124 -189.496 -10.1576 -189.494 -27.0197 GPRESSURE: 3299200 97.304 28.4915 36.7269 21.3284 46.1378 -152.159 44.2179 -177.178 -5.09779 PRESSAVG: 3299200 -31.3638 22.6546 -10.1051 22.6548 -53.1859 -32.761 -10.1052 -32.7609 54.7044 GPRESSAVG: 3299200 -31.28 22.771 -10.2256 22.1306 -52.9416 -33.6221 -10.1363 -32.2889 54.0853 TIMING: 3299200 CPU: 9562.16, 0.00290784/step Wall: 9562.16, 0.00290784/step, 1.37379 hours remaining, 210.902344 MB of memory in use. ENERGY: 3299200 730.8694 2091.6735 1937.5706 118.5126 -206183.7377 17847.4017 0.0000 0.0000 34242.5303 -149215.1796 299.0485 -183457.7099 -149120.8881 298.8324 16.0652 46.1147 558912.9599 -9.9484 -10.0454 PRESSURE: 3299400 158.241 131.231 14.2398 131.231 -141.382 -78.34 14.2402 -78.3397 92.8204 GPRESSURE: 3299400 292.553 102.435 19.7164 91.9968 -192.8 -25.2951 -9.69638 -87.2641 113.205 PRESSAVG: 3299400 -3.98612 11.3795 44.2004 11.3794 -29.6289 -34.6347 44.2003 -34.6348 24.2873 GPRESSAVG: 3299400 -3.99804 9.99892 46.2955 9.51369 -29.2975 -33.2088 42.7667 -36.6669 23.94 TIMING: 3299400 CPU: 9562.75, 0.00293285/step Wall: 9562.75, 0.00293285/step, 1.38545 hours remaining, 210.902344 MB of memory in use. ENERGY: 3299400 770.2714 2067.7245 1986.7810 120.2866 -206266.3542 17837.2220 0.0000 0.0000 34142.8714 -149341.1973 298.1782 -183484.0687 -149247.7638 298.9890 36.5599 70.9861 557921.0837 -3.1092 -3.1185 PRESSURE: 3299600 41.5384 79.5537 -30.2671 79.5535 -62.4417 9.10087 -30.2673 9.10161 -5.04293 GPRESSURE: 3299600 76.9494 100.549 -16.0502 91.4045 -38.5333 131.052 4.71396 -84.6959 26.62 PRESSAVG: 3299600 23.8346 -0.223749 9.76316 -0.223693 3.2454 -57.1883 9.7632 -57.1884 8.80098 GPRESSAVG: 3299600 22.7649 0.718618 7.1945 3.28098 4.22967 -56.0968 10.5854 -56.1505 9.17924 TIMING: 3299600 CPU: 9563.33, 0.00291544/step Wall: 9563.33, 0.00291544/step, 1.37706 hours remaining, 210.902344 MB of memory in use. ENERGY: 3299600 764.8353 2129.4884 1955.2286 111.3330 -206006.9477 17648.8867 0.0000 0.0000 34149.9847 -149247.1912 298.2403 -183397.1759 -149156.2629 298.9451 -8.6488 21.6787 557869.0681 11.9603 12.0579 PRESSURE: 3299800 208.051 136.464 -58.7753 136.463 220.14 72.1146 -58.7765 72.1146 57.8922 GPRESSURE: 3299800 229.858 55.8293 -22.3752 233.67 272.737 -26.4824 -19.5503 177.766 78.1433 PRESSAVG: 3299800 -50.4574 45.1419 -31.5444 45.142 21.2836 -47.4976 -31.5444 -47.4975 58.1103 GPRESSAVG: 3299800 -49.4695 46.603 -30.904 43.043 20.471 -47.0705 -32.0412 -49.9262 57.6127 TIMING: 3299800 CPU: 9563.91, 0.00289696/step Wall: 9563.91, 0.00289696/step, 1.36817 hours remaining, 210.902344 MB of memory in use. ENERGY: 3299800 755.5232 2124.7071 1953.7533 109.7561 -206587.4301 18018.4859 0.0000 0.0000 34474.3067 -149150.8978 301.0727 -183625.2045 -149047.4276 299.8788 162.0278 193.5792 556308.0105 9.6455 9.5381 PRESSURE: 3300000 -165.205 121.085 -82.4635 121.087 24.079 141.542 -82.4645 141.542 -127.299 GPRESSURE: 3300000 -102.75 89.4786 -127.647 207.575 6.55975 111.012 -123.49 121.432 -77.8849 PRESSAVG: 3300000 -37.3199 33.435 -8.01628 33.4351 28.7195 3.68473 -8.01619 3.68468 -25.0046 GPRESSAVG: 3300000 -37.8972 34.2422 -8.61933 33.4911 28.523 3.27129 -7.70871 4.52813 -25.0063 TIMING: 3300000 CPU: 9564.49, 0.00289231/step Wall: 9564.49, 0.00289231/step, 1.36582 hours remaining, 210.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3300000 759.3738 2059.9628 1960.8966 114.0535 -205752.7268 17647.2716 0.0000 0.0000 34114.6605 -149096.5079 297.9318 -183211.1685 -149000.0344 299.6076 -89.4752 -58.0250 557653.7427 -11.2017 -11.4602 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3300000 WRITING COORDINATES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3300200 47.8266 90.8778 36.096 90.8779 62.3574 46.4563 36.0964 46.4556 -255.216 GPRESSURE: 3300200 59.4442 28.2517 50.0851 75.0396 110.044 46.7607 -30.9723 19.8302 -232.258 PRESSAVG: 3300200 -1.33683 -18.2734 7.82875 -18.2734 41.3538 22.1476 7.82878 22.1474 -9.07373 GPRESSAVG: 3300200 -0.978617 -18.3087 7.73202 -18.9757 40.9071 20.6296 8.84388 23.4611 -9.19223 TIMING: 3300200 CPU: 9565.09, 0.00298997/step Wall: 9565.09, 0.00298997/step, 1.41177 hours remaining, 210.902344 MB of memory in use. ENERGY: 3300200 773.4206 2075.1748 1934.0967 107.8206 -206111.3109 17970.2944 0.0000 0.0000 34232.3689 -149018.1349 298.9598 -183250.5038 -148934.5216 299.5191 -48.3440 -20.9232 558148.0045 10.3144 10.2454 LDB: ============= START OF LOAD BALANCING ============== 9568.47 LDB: ============== END OF LOAD BALANCING =============== 9568.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9568.48 LDB: ============= START OF LOAD BALANCING ============== 9568.77 LDB: Largest compute 4772 load 0.021569 is 18.3% of average load 0.117964 LDB: Average compute 0.001734 is 1.5% of average load 0.117964 LDB: TIME 9568.77 LOAD: AVG 0.117964 MAX 0.178886 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.988 MB LDB: TIME 9568.77 LOAD: AVG 0.117964 MAX 0.178886 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210 MB LDB: TIME 9568.77 LOAD: AVG 0.117964 MAX 0.178886 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9568.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9568.78 PRESSURE: 3300400 -77.2371 -110.537 -100.88 -110.537 -14.7828 29.7239 -100.881 29.7226 -46.2876 GPRESSURE: 3300400 -62.76 -69.7364 -189.661 -114.093 30.1945 -5.30916 -61.7209 31.7775 -13.0797 PRESSAVG: 3300400 7.82247 7.52315 -5.34924 7.52311 13.5894 14.8174 -5.34932 14.8174 -12.6032 GPRESSAVG: 3300400 7.08473 7.90696 -3.17649 8.39998 13.4424 16.0705 -7.61835 13.5247 -11.6651 TIMING: 3300400 CPU: 9565.68, 0.0029772/step Wall: 9565.68, 0.0029772/step, 1.40557 hours remaining, 210.703125 MB of memory in use. ENERGY: 3300400 757.9034 2073.9810 1945.2722 112.8746 -206289.2783 17870.9801 0.0000 0.0000 34483.9692 -149044.2980 301.1571 -183528.2671 -148953.3689 299.5699 -46.1025 -15.2150 559649.8610 2.9362 2.9540 PRESSURE: 3300600 -211.972 -49.0417 -173.766 -49.0403 -160.943 -154.264 -173.767 -154.264 -76.9602 GPRESSURE: 3300600 -186.384 -54.8348 -124.189 -73.1432 -133.583 -197.879 -197.704 -56.992 -31.103 PRESSAVG: 3300600 -12.4401 -18.9934 -30.8413 -18.9933 -3.68378 -41.69 -30.8413 -41.69 33.4555 GPRESSAVG: 3300600 -13.5836 -18.2909 -32.1516 -18.7657 -4.20849 -41.4741 -29.6068 -42.2651 34.338 TIMING: 3300600 CPU: 9566.26, 0.00291101/step Wall: 9566.26, 0.00291101/step, 1.37416 hours remaining, 210.703125 MB of memory in use. ENERGY: 3300600 736.4081 2109.2631 1933.6616 112.6125 -205719.2192 17587.5377 0.0000 0.0000 34316.3937 -148923.3424 299.6936 -183239.7361 -148825.2675 299.8929 -149.9586 -117.0236 558743.0861 5.7772 5.5153 PRESSURE: 3300800 57.0521 62.4518 -62.5306 62.4504 -167.773 -74.0577 -62.5306 -74.0599 -39.0672 GPRESSURE: 3300800 95.7507 103.799 47.9682 10.759 -124.716 90.3848 -147.937 -124.93 -11.5768 PRESSAVG: 3300800 7.88683 -41.2558 -42.0336 -41.2557 -10.0803 16.8707 -42.0335 16.8706 -13.1446 GPRESSAVG: 3300800 9.00635 -43.1574 -43.1515 -42.3168 -9.88108 16.2227 -43.0683 17.3104 -13.9334 TIMING: 3300800 CPU: 9566.84, 0.00289998/step Wall: 9566.84, 0.00289998/step, 1.36879 hours remaining, 210.703125 MB of memory in use. ENERGY: 3300800 729.9696 2092.5777 1912.6037 117.5397 -205965.3826 17836.8990 0.0000 0.0000 34238.9854 -149036.8075 299.0176 -183275.7929 -148938.8009 299.0106 -49.9293 -13.5141 557297.0258 -5.1127 -4.9360 PRESSURE: 3301000 -53.9152 44.0613 187.311 44.0623 60.7886 84.7684 187.31 84.7705 30.993 GPRESSURE: 3301000 -33.64 105.721 68.7179 25.4506 117.231 66.183 233.852 131.784 58.098 PRESSAVG: 3301000 48.4385 38.0755 66.4342 38.0755 -17.65 -13.557 66.4342 -13.557 -31.6227 GPRESSAVG: 3301000 49.2361 38.612 66.853 39.3262 -17.1738 -16.9868 68.1741 -9.7672 -32.6961 TIMING: 3301000 CPU: 9567.42, 0.00290204/step Wall: 9567.42, 0.00290204/step, 1.3696 hours remaining, 210.703125 MB of memory in use. ENERGY: 3301000 758.7584 2093.8527 1925.5266 119.6722 -206016.7987 17749.5134 0.0000 0.0000 34229.1046 -149140.3707 298.9313 -183369.4753 -149047.5536 298.9506 12.6221 47.2298 557117.1749 -0.2781 -0.2113 PRESSURE: 3301200 -246.728 63.0098 89.3589 63.0109 115.348 102.072 89.3576 102.072 -180.668 GPRESSURE: 3301200 -220.191 26.3587 65.0487 106.405 120.262 23.4197 105.458 59.6577 -129.884 PRESSAVG: 3301200 -10.5645 -0.768879 27.5139 -0.768911 10.2642 8.49655 27.5138 8.49656 -11.1107 GPRESSAVG: 3301200 -12.1281 -0.621334 27.6491 -1.33112 10.6338 10.4082 26.2152 7.15613 -9.81109 TIMING: 3301200 CPU: 9568, 0.0028825/step Wall: 9568, 0.0028825/step, 1.36022 hours remaining, 210.703125 MB of memory in use. ENERGY: 3301200 748.9719 2082.1788 1938.8047 111.5663 -206235.9810 17680.3717 0.0000 0.0000 34409.7091 -149264.3785 300.5085 -183674.0876 -149163.4356 299.5428 -104.0162 -76.6044 557945.1520 -3.8036 -3.7685 PRESSURE: 3301400 -167.259 -109.78 -264.482 -109.78 -199.763 9.09018 -264.481 9.08784 -107.751 GPRESSURE: 3301400 -145.624 -103.862 -262.274 -185.611 -148.815 -30.6693 -265.47 -1.57023 -92.4679 PRESSAVG: 3301400 27.8346 -36.4544 -11.6604 -36.4543 26.6831 -10.5053 -11.6604 -10.5053 -55.4049 GPRESSAVG: 3301400 28.5375 -35.8823 -12.5354 -35.6397 26.8699 -9.97966 -9.84766 -11.9105 -56.6877 TIMING: 3301400 CPU: 9568.58, 0.00289734/step Wall: 9568.58, 0.00289734/step, 1.36706 hours remaining, 210.703125 MB of memory in use. ENERGY: 3301400 785.6469 2107.8335 1940.4217 109.0564 -206100.8627 17585.0901 0.0000 0.0000 34362.7100 -149210.1041 300.0981 -183572.8141 -149114.5479 299.4552 -158.2578 -128.9690 557443.6153 -0.2957 -0.4267 PRESSURE: 3301600 184.151 -153.765 88.0597 -153.763 90.7322 60.7803 88.0584 60.7815 85.2825 GPRESSURE: 3301600 264.633 -146.835 50.3058 -151.964 145.839 150.817 67.9384 6.76111 63.2704 PRESSAVG: 3301600 55.568 -90.1413 -30.1714 -90.1414 3.59447 10.9589 -30.1714 10.9589 -54.7887 GPRESSAVG: 3301600 56.2408 -89.6809 -30.5028 -89.4051 3.79247 11.5447 -30.6803 11.1939 -55.0236 TIMING: 3301600 CPU: 9569.16, 0.0028925/step Wall: 9569.16, 0.0028925/step, 1.36462 hours remaining, 210.703125 MB of memory in use. ENERGY: 3301600 805.3230 2073.4838 1913.0006 109.8546 -206964.6482 18316.1921 0.0000 0.0000 34353.9402 -149392.8539 300.0215 -183746.7941 -149295.5772 298.8984 120.0551 157.9139 557503.8435 1.4579 1.6699 PRESSURE: 3301800 -94.7079 -106.616 19.4465 -106.616 -95.3712 -37.4338 19.4449 -37.4348 -101.615 GPRESSURE: 3301800 -49.4988 -107.47 0.699986 -155.803 -27.8967 -24.7957 11.868 -71.9069 -126.626 PRESSAVG: 3301800 57.9986 -21.7062 0.238722 -21.7063 23.3227 0.886368 0.238708 0.886353 -47.727 GPRESSAVG: 3301800 57.8173 -23.1565 1.58325 -21.8236 22.2643 -0.0533453 0.606878 0.816456 -46.3908 TIMING: 3301800 CPU: 9569.74, 0.00292828/step Wall: 9569.74, 0.00292828/step, 1.38134 hours remaining, 210.703125 MB of memory in use. ENERGY: 3301800 780.5671 2064.9155 1944.1331 105.8249 -206551.8324 17885.9028 0.0000 0.0000 34366.9371 -149403.5520 300.1350 -183770.4890 -149307.7531 299.1274 -97.2313 -68.0071 557951.4893 11.1981 11.2303 PRESSURE: 3302000 -124.253 128.053 3.78986 128.055 60.2436 3.35611 3.78952 3.35679 61.1669 GPRESSURE: 3302000 -108.612 102.432 -31.5839 59.706 73.4849 -20.6125 6.90065 47.5712 129.146 PRESSAVG: 3302000 34.2886 5.21068 -10.7923 5.21073 -10.1493 -55.5298 -10.7924 -55.5298 -5.83832 GPRESSAVG: 3302000 34.8127 7.02504 -10.6976 3.1562 -11.0441 -56.2306 -11.7967 -56.0176 -5.09236 TIMING: 3302000 CPU: 9570.33, 0.00291637/step Wall: 9570.33, 0.00291637/step, 1.37555 hours remaining, 210.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3302000 746.9023 2151.5595 1974.0124 110.1392 -206503.7063 17967.7068 0.0000 0.0000 34149.5344 -149403.8516 298.2364 -183553.3860 -149312.8716 298.5599 -0.9475 31.3396 557946.0590 6.1003 6.2254 PRESSURE: 3302200 -189.727 31.6718 73.7733 31.6703 -126.359 7.24504 73.7725 7.2456 -330.773 GPRESSURE: 3302200 -208.616 -49.069 80.9033 84.9028 -123.13 121.333 15.587 -126.681 -220.476 PRESSAVG: 3302200 -28.4213 -30.7808 -3.07564 -30.7809 14.183 -23.5337 -3.07559 -23.5336 4.43522 GPRESSAVG: 3302200 -29.2227 -34.1181 -4.082 -27.6066 15.293 -21.9591 -3.10245 -23.4715 4.61214 TIMING: 3302200 CPU: 9570.91, 0.00292783/step Wall: 9570.91, 0.00292783/step, 1.3808 hours remaining, 210.703125 MB of memory in use. ENERGY: 3302200 707.1837 2120.4354 1958.1342 108.5633 -206004.0051 17480.1592 0.0000 0.0000 34164.7942 -149464.7350 298.3696 -183629.5292 -149357.9975 298.6991 -215.6195 -184.0739 557373.6324 -3.2677 -3.1058 PRESSURE: 3302400 -28.8576 4.76097 -186.52 4.76216 101.273 -114.696 -186.519 -114.696 261.479 GPRESSURE: 3302400 -25.4943 32.5502 -117.878 44.3828 131.302 -165.99 -110.595 -94.352 337.188 PRESSAVG: 3302400 -60.7121 -3.66714 -50.0016 -3.66713 2.98159 -4.86538 -50.0014 -4.8654 20.1514 GPRESSAVG: 3302400 -61.0932 -1.18774 -48.6045 -5.01971 3.83789 -5.34649 -50.4339 -3.44145 19.6169 TIMING: 3302400 CPU: 9571.49, 0.00289238/step Wall: 9571.49, 0.00289238/step, 1.36392 hours remaining, 210.703125 MB of memory in use. ENERGY: 3302400 708.6839 2092.2447 1957.5450 104.7187 -206334.3007 17951.2601 0.0000 0.0000 34134.7459 -149385.1024 298.1072 -183519.8483 -149287.5093 298.4870 111.2981 147.6655 556194.3233 -12.5264 -12.5461 PRESSURE: 3302600 -135.652 19.6078 101.932 19.6077 -223.987 -2.02828 101.932 -2.0252 -251.261 GPRESSURE: 3302600 -144.208 70.7796 149.818 -2.4902 -186.915 14.9472 108.062 32.6464 -179.979 PRESSAVG: 3302600 -10.1942 -16.2026 46.7877 -16.2026 5.02709 -50.6973 46.7877 -50.6973 28.3348 GPRESSAVG: 3302600 -9.20719 -15.6222 46.0143 -18.1648 3.67406 -50.0919 48.31 -51.4067 28.5819 TIMING: 3302600 CPU: 9572.07, 0.00289018/step Wall: 9572.07, 0.00289018/step, 1.36272 hours remaining, 210.703125 MB of memory in use. ENERGY: 3302600 773.0237 2136.3170 1957.8586 126.5469 -206057.3575 17610.8487 0.0000 0.0000 34067.1860 -149385.5766 297.5172 -183452.7626 -149295.2047 299.1584 -203.6335 -170.3673 556671.5474 7.7226 7.6829 PRESSURE: 3302800 -26.7863 -38.1356 -162.394 -38.1351 2.83646 -45.973 -162.394 -45.9736 336.299 GPRESSURE: 3302800 26.2276 13.3865 -127.164 -42.3713 2.54277 19.8187 -51.1182 -57.3508 379.733 PRESSAVG: 3302800 -35.7215 7.68908 -4.20771 7.68924 -37.0687 93.2917 -4.20775 93.2917 26.8289 GPRESSAVG: 3302800 -36.1858 7.28863 -5.19108 8.41249 -36.1583 91.945 -5.84685 95.0598 26.0541 TIMING: 3302800 CPU: 9572.65, 0.002894/step Wall: 9572.65, 0.002894/step, 1.36436 hours remaining, 210.703125 MB of memory in use. ENERGY: 3302800 730.1748 2092.4185 1976.9502 114.2183 -206220.1441 17804.2781 0.0000 0.0000 34032.5187 -149469.5854 297.2145 -183502.1041 -149372.1808 298.2468 104.1163 136.1678 557228.9203 -15.3205 -15.4300 PRESSURE: 3303000 -46.4733 -46.6398 2.77113 -46.6398 -75.8588 208.93 2.77205 208.932 247.649 GPRESSURE: 3303000 -0.831921 -35.1797 -60.4662 -51.9912 -55.0365 249.725 48.3447 178.603 276.063 PRESSAVG: 3303000 -28.0574 13.3571 -12.5847 13.3571 35.0336 74.9338 -12.5847 74.9339 32.2153 GPRESSAVG: 3303000 -27.6998 14.8288 -10.9152 13.9229 34.3176 77.0541 -10.0639 72.7703 32.6436 TIMING: 3303000 CPU: 9573.23, 0.00289924/step Wall: 9573.23, 0.00289924/step, 1.36667 hours remaining, 210.902344 MB of memory in use. ENERGY: 3303000 768.2940 2028.9502 1955.8084 110.4647 -206392.8348 17987.0495 0.0000 0.0000 34291.4305 -149250.8375 299.4756 -183542.2680 -149148.2025 298.2655 41.7724 73.3980 557120.7700 13.0638 13.0871 PRESSURE: 3303200 -141.618 -47.3206 83.7598 -47.3191 -261.068 74.6506 83.7587 74.6505 -105.874 GPRESSURE: 3303200 -148.488 23.1653 154.264 -127.013 -216.218 68.904 112.616 63.208 -38.9733 PRESSAVG: 3303200 -58.3782 29.8826 -9.66927 29.8826 10.3825 32.552 -9.66922 32.552 25.3156 GPRESSAVG: 3303200 -57.803 26.6073 -10.4656 30.2358 10.5731 29.8865 -11.9962 34.5056 24.2104 TIMING: 3303200 CPU: 9573.81, 0.00288608/step Wall: 9573.81, 0.00288608/step, 1.36031 hours remaining, 210.902344 MB of memory in use. ENERGY: 3303200 776.8176 2105.4275 1944.4900 117.7819 -206203.7780 17779.2234 0.0000 0.0000 34317.7568 -149162.2806 299.7055 -183480.0375 -149073.2202 298.9124 -169.5199 -134.5598 560002.5112 -7.5600 -7.6731 PRESSURE: 3303400 -30.1265 16.4648 43.0223 16.4648 262.431 -201.718 43.0228 -201.718 138.502 GPRESSURE: 3303400 20.2956 25.0416 23.2481 -7.3217 261.776 -224.411 67.8421 -78.411 186.456 PRESSAVG: 3303400 5.04017 29.1814 26.2723 29.1814 10.5122 55.1829 26.2723 55.1829 -2.15472 GPRESSAVG: 3303400 4.85489 29.0114 27.3395 30.9806 8.93801 56.8636 27.128 54.0561 -0.186442 TIMING: 3303400 CPU: 9574.38, 0.00289511/step Wall: 9574.38, 0.00289511/step, 1.3644 hours remaining, 210.902344 MB of memory in use. ENERGY: 3303400 779.0154 2144.2631 1968.1001 113.1564 -206306.9181 18047.3163 0.0000 0.0000 34320.9101 -148934.1567 299.7330 -183255.0668 -148837.1095 299.3219 123.6021 156.1758 558150.2415 4.4659 4.5355 PRESSURE: 3303600 214.291 -112.552 -68.0716 -112.552 115.876 66.7127 -68.0726 66.7143 104.234 GPRESSURE: 3303600 234.955 -156.368 -29.9879 -156.14 144.483 95.0712 5.4231 47.9939 155.221 PRESSAVG: 3303600 -24.1515 -33.5404 4.87271 -33.5404 -52.0187 -17.2302 4.87274 -17.2301 45.8018 GPRESSAVG: 3303600 -25.558 -32.1219 5.02882 -34.9823 -50.0403 -17.1422 4.22288 -17.7797 44.799 TIMING: 3303600 CPU: 9574.97, 0.00292272/step Wall: 9574.97, 0.00292272/step, 1.37725 hours remaining, 210.902344 MB of memory in use. ENERGY: 3303600 738.1200 2149.2610 1998.2671 108.7769 -206190.5981 17998.8249 0.0000 0.0000 34259.0254 -148938.3229 299.1926 -183197.3483 -148841.2046 299.8995 144.8003 178.2197 558415.5345 -10.1228 -10.2664 PRESSURE: 3303800 27.7553 93.5869 -75.7997 93.5861 -222.425 -201.954 -75.8005 -201.954 -50.0436 GPRESSURE: 3303800 68.7067 57.4324 -1.08069 110.965 -215.849 -169.192 -83.6567 -238.139 0.875719 PRESSAVG: 3303800 -2.04974 14.3126 6.67066 14.3124 7.48629 -45.4238 6.67076 -45.4239 -16.1122 GPRESSAVG: 3303800 -0.46621 13.6272 4.90622 17.0446 6.81143 -44.6077 6.95448 -45.2745 -17.2246 TIMING: 3303800 CPU: 9575.55, 0.00289235/step Wall: 9575.55, 0.00289235/step, 1.36278 hours remaining, 210.902344 MB of memory in use. ENERGY: 3303800 761.0944 2080.8162 1961.9141 118.8792 -205788.7102 17446.3065 0.0000 0.0000 34362.7751 -149056.9246 300.0987 -183419.6998 -148959.8864 299.9747 -81.5710 -48.7556 556755.0454 -3.5585 -3.6265 PRESSURE: 3304000 -61.0378 -54.8494 -96.5606 -54.8508 -164.433 -216.857 -96.5626 -216.858 -108.061 GPRESSURE: 3304000 -3.77784 -33.6276 -119.479 -24.6492 -137.43 -239.511 -31.8168 -159.576 -96.1223 PRESSAVG: 3304000 66.8906 -40.8473 -34.1652 -40.8473 -32.1046 -94.6512 -34.1653 -94.6512 -32.5112 GPRESSAVG: 3304000 66.3154 -40.7479 -31.3398 -42.7944 -32.278 -96.2308 -34.9345 -94.3045 -32.2171 TIMING: 3304000 CPU: 9576.12, 0.00288539/step Wall: 9576.12, 0.00288539/step, 1.35934 hours remaining, 210.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3304000 791.7789 2138.6193 1989.8329 110.0045 -206233.0317 17715.8318 0.0000 0.0000 34319.5095 -149167.4548 299.7208 -183486.9643 -149076.1986 299.0405 -111.1771 -79.1102 559110.6259 0.7583 0.6068 PRESSURE: 3304200 -133.823 -169.651 123.811 -169.651 -21.5029 151.059 123.81 151.058 113.11 GPRESSURE: 3304200 -109.156 -199.607 48.6023 -143.704 17.0517 198.302 84.0791 96.5614 156.995 PRESSAVG: 3304200 16.2381 -2.88513 27.5398 -2.88515 5.24333 -7.45518 27.5398 -7.45516 -37.3988 GPRESSAVG: 3304200 15.9874 -0.780643 29.4808 -4.72934 5.24239 -6.14921 26.6199 -7.89108 -36.7959 TIMING: 3304200 CPU: 9576.7, 0.00288842/step Wall: 9576.7, 0.00288842/step, 1.36061 hours remaining, 210.902344 MB of memory in use. ENERGY: 3304200 745.4301 2095.6879 1954.5502 113.9379 -206435.0083 17986.2468 0.0000 0.0000 34374.1394 -149165.0160 300.1979 -183539.1554 -149078.7897 299.8860 -14.0718 21.6302 557709.2636 -5.3058 -5.1887 LDB: ============= START OF LOAD BALANCING ============== 9580.09 LDB: ============== END OF LOAD BALANCING =============== 9580.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9580.09 LDB: ============= START OF LOAD BALANCING ============== 9580.38 LDB: Largest compute 4772 load 0.022971 is 19.5% of average load 0.117994 LDB: Average compute 0.001726 is 1.5% of average load 0.117994 LDB: TIME 9580.38 LOAD: AVG 0.117994 MAX 0.179828 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.48 MB LDB: TIME 9580.38 LOAD: AVG 0.117994 MAX 0.179828 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.48 MB LDB: TIME 9580.38 LOAD: AVG 0.117994 MAX 0.179828 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9580.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9580.39 PRESSURE: 3304400 134.554 5.33341 76.5737 5.3342 180.371 -18.8732 76.5737 -18.8729 55.2594 GPRESSURE: 3304400 147.98 -6.90635 95.3284 20.2248 228.329 -107.675 63.8545 29.9981 80.3674 PRESSAVG: 3304400 3.82907 -2.36559 44.1555 -2.3655 60.504 -29.3707 44.1554 -29.3707 -37.1597 GPRESSAVG: 3304400 3.46372 -3.64293 41.3359 -1.30988 60.9025 -30.4311 47.449 -30.0817 -36.746 TIMING: 3304400 CPU: 9577.29, 0.00295027/step Wall: 9577.29, 0.00295027/step, 1.38958 hours remaining, 210.449219 MB of memory in use. ENERGY: 3304400 743.2322 2136.9308 1954.7476 119.6041 -206998.4947 18320.4746 0.0000 0.0000 34386.5834 -149336.9220 300.3066 -183723.5055 -149234.3915 299.5744 123.3946 152.2258 556718.4046 9.0578 9.2067 PRESSURE: 3304600 -260.763 -103.562 -83.1999 -103.562 -266.154 172.541 -83.2004 172.542 -136.263 GPRESSURE: 3304600 -259.538 -125.207 -44.1126 -17.072 -232.068 139.133 -91.4109 158.411 -64.0946 PRESSAVG: 3304600 25.7507 -62.8394 12.8399 -62.8394 30.4827 38.6371 12.8399 38.637 -0.869751 GPRESSAVG: 3304600 25.5497 -63.6828 11.5451 -63.2002 31.4203 37.8817 12.0534 38.4524 -0.609682 TIMING: 3304600 CPU: 9577.87, 0.00291114/step Wall: 9577.87, 0.00291114/step, 1.37099 hours remaining, 210.914062 MB of memory in use. ENERGY: 3304600 754.6821 2118.3306 1973.5492 114.0945 -206244.8744 17707.2534 0.0000 0.0000 34423.7589 -149153.2058 300.6312 -183576.9647 -149053.5553 300.2809 -221.0600 -185.2337 557470.6760 18.4545 18.7868 PRESSURE: 3304800 -4.12449 -99.816 72.4468 -99.8154 -274.773 26.7918 72.4465 26.7921 53.2591 GPRESSURE: 3304800 55.5503 -39.244 141.072 -177.442 -221.856 -5.93189 -30.7436 106.337 44.659 PRESSAVG: 3304800 9.73345 -58.7419 9.6719 -58.742 16.4631 10.9172 9.67198 10.9171 -22.4582 GPRESSAVG: 3304800 10.7687 -58.6356 12.0723 -58.7104 16.0552 10.9356 8.61147 12.5808 -22.6076 TIMING: 3304800 CPU: 9578.45, 0.00289637/step Wall: 9578.45, 0.00289637/step, 1.36387 hours remaining, 210.914062 MB of memory in use. ENERGY: 3304800 794.3757 2097.6536 1954.2032 117.9206 -206575.2503 17837.6324 0.0000 0.0000 34574.4136 -149199.0512 301.9470 -183773.4648 -149100.8905 299.3397 -75.2129 -40.5491 557330.4780 1.2461 1.4054 PRESSURE: 3305000 -296.449 117.953 116.57 117.953 -187.217 -45.4998 116.57 -45.5005 -355.444 GPRESSURE: 3305000 -294.664 53.5972 115.421 118.782 -144.919 -76.7184 104.462 -15.5624 -301.624 PRESSAVG: 3305000 -13.8068 -6.1469 57.8244 -6.14692 44.255 6.72434 57.8243 6.72433 -22.296 GPRESSAVG: 3305000 -14.3812 -5.99736 58.165 -5.94843 45.6788 6.59818 58.5698 4.05573 -23.0022 TIMING: 3305000 CPU: 9579.04, 0.00290939/step Wall: 9579.04, 0.00290939/step, 1.36984 hours remaining, 210.914062 MB of memory in use. ENERGY: 3305000 763.5077 2155.4775 1939.9701 108.3944 -206128.4291 17561.3164 0.0000 0.0000 34475.8500 -149123.9132 301.0862 -183599.7631 -149022.0833 299.7284 -279.7031 -247.0690 558319.1609 2.7174 2.7651 PRESSURE: 3305200 0.0684442 54.8222 105.463 54.8213 236.557 13.0756 105.462 13.0751 -19.924 GPRESSURE: 3305200 21.955 99.1974 119.516 84.5555 318.858 -10.899 57.6374 53.3636 -18.7039 PRESSAVG: 3305200 32.0143 -39.6759 6.07422 -39.6758 27.0284 -26.8845 6.07422 -26.8846 -81.3966 GPRESSAVG: 3305200 32.3311 -39.3091 7.0904 -37.8425 26.4094 -25.3794 5.13442 -24.3573 -81.2116 TIMING: 3305200 CPU: 9579.62, 0.00290631/step Wall: 9579.62, 0.00290631/step, 1.36823 hours remaining, 210.914062 MB of memory in use. ENERGY: 3305200 762.0861 2139.5145 1922.7005 109.9710 -206563.7743 18032.8306 0.0000 0.0000 34463.6419 -149133.0297 300.9796 -183596.6716 -149043.3786 300.4857 72.2337 107.3698 556907.0350 -7.4513 -7.4904 PRESSURE: 3305400 -370.385 -43.9503 40.5253 -43.9511 -21.7876 21.4818 40.5261 21.4822 36.9201 GPRESSURE: 3305400 -369.289 -52.5686 46.126 -42.7099 -18.6695 31.6794 12.8202 -25.5457 132.76 PRESSAVG: 3305400 -1.18312 -3.25034 17.3939 -3.25038 -1.25308 9.27548 17.394 9.27554 9.90484 GPRESSAVG: 3305400 -1.2139 -3.56832 16.6631 -3.92599 -1.88873 10.107 18.4657 7.65443 10.0833 TIMING: 3305400 CPU: 9580.2, 0.00291409/step Wall: 9580.2, 0.00291409/step, 1.37173 hours remaining, 210.914062 MB of memory in use. ENERGY: 3305400 760.2672 2126.9955 1928.7128 120.0346 -205758.8140 17605.2696 0.0000 0.0000 34241.4237 -148976.1106 299.0389 -183217.5343 -148884.9961 299.8403 -118.4176 -85.0662 557266.1183 2.4895 2.3269 PRESSURE: 3305600 0.0260465 119.907 -23.8548 119.907 -8.35137 -36.773 -23.855 -36.7719 -85.0897 GPRESSURE: 3305600 12.7469 190.736 -29.4759 20.8734 50.5929 -16.0728 -22.8557 -45.1134 -60.5995 PRESSAVG: 3305600 -1.52352 -26.115 28.5132 -26.1151 -31.2551 -18.2868 28.5132 -18.2868 47.4428 GPRESSAVG: 3305600 -2.49562 -27.3478 25.3082 -25.6348 -29.3186 -20.9104 29.4491 -16.9511 46.8812 TIMING: 3305600 CPU: 9580.78, 0.00292241/step Wall: 9580.78, 0.00292241/step, 1.37548 hours remaining, 210.914062 MB of memory in use. ENERGY: 3305600 799.7171 2146.4512 1936.0679 108.2924 -206285.7545 17785.4432 0.0000 0.0000 34404.9558 -149104.8270 300.4670 -183509.7828 -149021.7311 300.6922 -31.1383 0.9134 556283.3054 4.8881 5.0223 PRESSURE: 3305800 130.164 11.4043 -86.7861 11.4039 185.606 -47.2601 -86.7853 -47.2608 30.5465 GPRESSURE: 3305800 129.938 16.1771 -2.0145 -11.4285 179.035 95.0616 -83.3143 -102.319 138.245 PRESSAVG: 3305800 1.73295 -19.1871 -43.1144 -19.1871 67.205 -32.7597 -43.1145 -32.7596 -51.3942 GPRESSAVG: 3305800 0.948466 -20.4957 -41.3782 -18.6963 65.97 -31.7677 -43.0682 -33.6685 -48.8009 TIMING: 3305800 CPU: 9581.36, 0.00289596/step Wall: 9581.36, 0.00289596/step, 1.36287 hours remaining, 210.914062 MB of memory in use. ENERGY: 3305800 732.4933 2094.6727 1954.4429 99.8113 -206396.0647 18031.7332 0.0000 0.0000 34541.8233 -148941.0881 301.6623 -183482.9114 -148844.8209 300.4730 115.4391 149.0727 556481.0227 5.8479 6.0392 PRESSURE: 3306000 -307.597 0.2378 -11.8719 0.237868 12.6537 61.6602 -11.8729 61.6585 -483.504 GPRESSURE: 3306000 -242.487 42.4071 52.1468 -69.2108 -9.48804 54.256 32.8407 77.5888 -417.074 PRESSAVG: 3306000 -66.7595 -49.6472 79.8218 -49.6473 55.7287 58.9643 79.8219 58.9644 -5.42294 GPRESSAVG: 3306000 -66.3649 -47.7797 78.9515 -51.7221 56.4259 60.6735 78.6693 59.1782 -6.24235 TIMING: 3306000 CPU: 9581.94, 0.00288679/step Wall: 9581.94, 0.00288679/step, 1.35839 hours remaining, 210.914062 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: 3306000 712.1374 2092.8696 1947.6289 118.8866 -205540.5098 17392.8606 0.0000 0.0000 34337.0355 -148939.0912 299.8739 -183276.1267 -148846.6908 299.8038 -259.4826 -223.0164 559144.3142 -5.4846 -5.3938 PRESSURE: 3306200 -30.8753 30.256 -181.549 30.2565 -79.7149 12.5885 -181.549 12.5871 -67.9086 GPRESSURE: 3306200 19.3256 33.7389 -147.744 34.4267 25.0409 9.58584 -262.8 -14.4685 -125.64 PRESSAVG: 3306200 48.2707 -13.9398 30.1118 -13.9398 -24.0831 35.8398 30.1117 35.8398 18.2251 GPRESSAVG: 3306200 48.4654 -12.7847 31.6229 -13.1186 -23.7751 34.5741 29.5099 34.9253 17.3564 TIMING: 3306200 CPU: 9582.52, 0.00289558/step Wall: 9582.52, 0.00289558/step, 1.36237 hours remaining, 210.914062 MB of memory in use. ENERGY: 3306200 744.3495 2096.4163 1944.0559 111.4754 -205918.1135 17631.6745 0.0000 0.0000 34613.9602 -148776.1817 302.2923 -183390.1419 -148672.6858 300.2987 -59.4996 -27.0910 558237.4385 14.1376 14.0156 PRESSURE: 3306400 26.6854 15.0817 214.895 15.0812 -97.2492 80.8158 214.896 80.8132 -26.2351 GPRESSURE: 3306400 -18.6761 10.0178 233.63 -7.83489 -14.5075 76.1696 142.091 55.4137 44.2895 PRESSAVG: 3306400 29.002 -16.087 23.4057 -16.0869 29.8967 -2.8886 23.4057 -2.88857 -38.3001 GPRESSAVG: 3306400 29.5732 -16.398 21.1205 -16.5438 29.0997 -3.42609 25.641 -2.49513 -37.5937 TIMING: 3306400 CPU: 9583.1, 0.00289324/step Wall: 9583.1, 0.00289324/step, 1.36111 hours remaining, 210.914062 MB of memory in use. ENERGY: 3306400 755.6564 2069.4933 1954.1789 112.4027 -205834.8994 17904.9822 0.0000 0.0000 34213.6239 -148824.5621 298.7961 -183038.1859 -148732.7293 300.0002 -32.2663 3.7020 560405.9585 6.8662 7.0264 PRESSURE: 3306600 -335.677 -147.992 -118.327 -147.99 -257.006 208.032 -118.326 208.032 -248.228 GPRESSURE: 3306600 -308.394 -84.631 -57.8941 -217.378 -234.399 301.139 -145.942 176.657 -203.672 PRESSAVG: 3306600 48.3135 10.982 9.94045 10.982 -38.2694 40.4569 9.94043 40.4569 -62.9154 GPRESSAVG: 3306600 48.0199 7.71117 12.378 12.1994 -37.6554 40.7102 7.69174 39.066 -62.6877 TIMING: 3306600 CPU: 9583.68, 0.00290473/step Wall: 9583.68, 0.00290473/step, 1.36635 hours remaining, 210.914062 MB of memory in use. ENERGY: 3306600 795.9223 2116.8909 1937.1960 103.2765 -205860.3315 17649.9193 0.0000 0.0000 34356.1913 -148900.9351 300.0412 -183257.1264 -148802.6112 299.4320 -280.3036 -248.8218 560279.7204 -17.6238 -17.4411 PRESSURE: 3306800 -159.86 -157.69 72.2116 -157.69 -145.453 -103.982 72.2115 -103.982 -310.299 GPRESSURE: 3306800 -62.4961 -125.578 87.7377 -138.638 -158.744 -131.124 64.1408 -39.4533 -292.22 PRESSAVG: 3306800 40.5959 6.0895 9.69452 6.08949 3.7768 0.301736 9.69453 0.301782 -1.50524 GPRESSAVG: 3306800 42.1079 8.0252 8.61825 4.57423 3.37243 0.648163 9.96873 3.09316 -1.96703 TIMING: 3306800 CPU: 9584.26, 0.00291238/step Wall: 9584.26, 0.00291238/step, 1.36979 hours remaining, 210.914062 MB of memory in use. ENERGY: 3306800 743.4282 2105.6094 1960.2710 109.7182 -205843.3602 17629.5123 0.0000 0.0000 34429.7630 -148865.0582 300.6837 -183294.8212 -148764.5143 300.2883 -205.2042 -171.1535 559123.0384 14.2892 14.5044 PRESSURE: 3307000 204.994 -29.6017 152.69 -29.6017 105.767 -81.5443 152.69 -81.5452 106.17 GPRESSURE: 3307000 280.245 64.0629 177.573 -60.55 140.495 -9.6958 45.7687 -27.2929 102.003 PRESSAVG: 3307000 12.0631 -31.4646 64.4405 -31.4647 -35.6839 -39.0448 64.4405 -39.0447 -4.41092 GPRESSAVG: 3307000 11.2167 -31.0102 66.9554 -31.0965 -35.6953 -37.0483 64.1921 -41.0317 -3.05215 TIMING: 3307000 CPU: 9584.84, 0.00289223/step Wall: 9584.84, 0.00289223/step, 1.36015 hours remaining, 210.914062 MB of memory in use. ENERGY: 3307000 723.1435 2139.5705 1934.9492 110.6808 -206106.1343 18033.1899 0.0000 0.0000 34265.3756 -148899.2247 299.2480 -183164.6003 -148799.7553 300.2138 138.9769 174.2475 557424.9610 -9.3439 -9.1769 PRESSURE: 3307200 -156.562 -63.3735 38.1024 -63.3749 -25.985 -85.2251 38.1033 -85.2258 -195.258 GPRESSURE: 3307200 -132.391 -66.0381 48.2416 -94.8556 0.00660258 -35.474 35.391 -83.2668 -141.97 PRESSAVG: 3307200 26.7283 -48.0466 -0.495589 -48.0467 22.2027 14.6248 -0.495551 14.6248 -36.547 GPRESSAVG: 3307200 25.6529 -49.1719 -2.73707 -46.8633 23.2713 14.8306 0.0632073 15.4165 -36.3456 TIMING: 3307200 CPU: 9585.42, 0.00288169/step Wall: 9585.42, 0.00288169/step, 1.35503 hours remaining, 210.914062 MB of memory in use. ENERGY: 3307200 755.7029 2062.3115 1971.0878 109.0264 -205680.8553 17543.8589 0.0000 0.0000 34303.0348 -148935.8330 299.5769 -183238.8678 -148843.4615 299.4610 -125.9347 -91.4515 558485.0495 4.1280 4.1929 PRESSURE: 3307400 142.425 -176.513 14.9059 -176.512 83.1215 91.6721 14.9057 91.6711 75.9196 GPRESSURE: 3307400 174.244 -187.709 12.9256 -149.084 154.007 20.7067 -19.9359 119.112 74.4199 PRESSAVG: 3307400 2.54297 -12.2594 -5.65116 -12.2595 55.5092 34.9155 -5.6511 34.9155 -68.6983 GPRESSAVG: 3307400 3.3745 -12.7752 -3.87506 -12.9514 54.9748 31.3819 -4.57661 36.0151 -68.5579 TIMING: 3307400 CPU: 9585.99, 0.00287931/step Wall: 9585.99, 0.00287931/step, 1.35376 hours remaining, 210.914062 MB of memory in use. ENERGY: 3307400 742.2737 2022.3215 1965.1002 100.4617 -206303.0021 18013.2339 0.0000 0.0000 34424.4367 -149035.1744 300.6372 -183459.6111 -148922.1996 300.0736 100.4889 134.2236 556714.2709 -3.5487 -3.4028 PRESSURE: 3307600 119.821 126.139 -115.978 126.139 93.9612 -69.2239 -115.978 -69.2245 113.267 GPRESSURE: 3307600 189.449 155.521 -141.864 49.467 167.304 -132.025 -32.7011 -84.4978 73.7715 PRESSAVG: 3307600 15.615 1.96183 -20.4346 1.96193 -8.32408 -10.0339 -20.4345 -10.034 -27.0703 GPRESSAVG: 3307600 16.3139 1.07868 -23.0782 1.44961 -8.20993 -8.80148 -19.5629 -11.6836 -27.8449 TIMING: 3307600 CPU: 9586.57, 0.00287492/step Wall: 9586.57, 0.00287492/step, 1.35153 hours remaining, 210.914062 MB of memory in use. ENERGY: 3307600 778.7388 2061.1206 1953.8675 118.0356 -206208.7957 17893.1574 0.0000 0.0000 34256.7202 -149147.1557 299.1725 -183403.8759 -149053.6177 299.3399 109.0165 143.5081 555318.8904 -6.5931 -6.5803 PRESSURE: 3307800 -216.32 177.205 -62.8835 177.204 -327.335 160.18 -62.8831 160.181 -113.306 GPRESSURE: 3307800 -135.873 164.49 -91.8168 277.389 -318.295 190.062 -56.2154 122.269 -96.5831 PRESSAVG: 3307800 13.1429 6.12763 -20.4736 6.1277 -32.7483 28.3508 -20.4736 28.3507 -12.4146 GPRESSAVG: 3307800 12.676 6.86686 -20.242 6.68796 -31.4015 28.6087 -20.3147 29.2128 -13.3651 TIMING: 3307800 CPU: 9587.14, 0.0028836/step Wall: 9587.14, 0.0028836/step, 1.35545 hours remaining, 210.914062 MB of memory in use. ENERGY: 3307800 709.6256 2140.0078 1943.5242 108.9220 -205650.8771 17485.3538 0.0000 0.0000 34199.4958 -149063.9478 298.6727 -183263.4436 -148960.1881 299.7488 -218.9872 -183.5839 557935.1847 -10.6733 -10.6969 PRESSURE: 3308000 90.6631 -134.328 61.2496 -134.328 -174.16 13.1996 61.2502 13.1983 -120.918 GPRESSURE: 3308000 88.918 -124.704 72.3613 -179.242 -134.304 -64.5191 34.027 62.905 -58.3622 PRESSAVG: 3308000 14.8055 -1.7809 -9.11768 -1.78105 -54.4187 57.967 -9.11773 57.9671 79.0839 GPRESSAVG: 3308000 14.6176 -3.00226 -8.41549 -1.02266 -54.3594 59.2296 -10.1838 57.4423 79.2438 TIMING: 3308000 CPU: 9587.72, 0.00288571/step Wall: 9587.72, 0.00288571/step, 1.35628 hours remaining, 210.914062 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: 3308000 730.3964 2124.7149 1923.5090 112.1084 -206124.1720 17715.5121 0.0000 0.0000 34405.3516 -149112.5795 300.4705 -183517.9311 -149016.5485 299.4245 -68.1383 -34.5828 555877.1493 13.1569 13.1674 PRESSURE: 3308200 30.1972 71.9567 114.486 71.9573 461.037 145.272 114.486 145.273 81.2567 GPRESSURE: 3308200 66.8134 29.5141 104.749 153.277 447.277 75.1679 69.4518 140.132 156.515 PRESSAVG: 3308200 37.528 6.91888 65.1107 6.9189 -43.0789 36.1478 65.1107 36.1479 -21.4287 GPRESSAVG: 3308200 37.8439 6.75378 62.8914 6.88153 -43.2795 34.3159 66.9641 37.4794 -21.0759 TIMING: 3308200 CPU: 9588.31, 0.00291913/step Wall: 9588.31, 0.00291913/step, 1.37183 hours remaining, 210.914062 MB of memory in use. ENERGY: 3308200 729.1940 2105.0146 1947.3236 114.9625 -206432.4328 18082.7795 0.0000 0.0000 34402.8844 -149050.2741 300.4489 -183453.1585 -148950.6103 299.8389 190.8302 223.5352 556980.9519 -8.9932 -8.8372 LDB: ============= START OF LOAD BALANCING ============== 9591.69 LDB: ============== END OF LOAD BALANCING =============== 9591.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9591.69 LDB: ============= START OF LOAD BALANCING ============== 9591.98 LDB: Largest compute 4792 load 0.022423 is 19.0% of average load 0.117974 LDB: Average compute 0.001732 is 1.5% of average load 0.117974 LDB: TIME 9591.99 LOAD: AVG 0.117974 MAX 0.177232 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.617 MB LDB: TIME 9591.99 LOAD: AVG 0.117974 MAX 0.177232 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.676 MB LDB: TIME 9591.99 LOAD: AVG 0.117974 MAX 0.177232 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.676 MB LDB: ============== END OF LOAD BALANCING =============== 9591.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9591.99 PRESSURE: 3308400 -33.1939 -66.6395 -44.3875 -66.6405 -116.979 185.139 -44.3875 185.14 27.7988 GPRESSURE: 3308400 -34.3094 -67.4638 -83.1232 -66.0131 -74.9031 173.618 -10.2075 139.143 79.7615 PRESSAVG: 3308400 40.6059 36.647 22.9974 36.6471 7.43237 44.7129 22.9974 44.7129 -34.6481 GPRESSAVG: 3308400 39.9782 36.3327 26.1936 37.6221 6.44214 46.1332 21.3394 41.7347 -33.104 TIMING: 3308400 CPU: 9588.9, 0.00295605/step Wall: 9588.9, 0.00295605/step, 1.38901 hours remaining, 210.449219 MB of memory in use. ENERGY: 3308400 721.6492 2105.8529 1967.9971 121.6235 -206126.5368 17781.5581 0.0000 0.0000 34534.9604 -148892.8957 301.6024 -183427.8561 -148795.6909 300.0782 -40.7915 -9.8170 558661.4055 4.4634 4.4388 PRESSURE: 3308600 33.8405 -43.8798 9.02995 -43.8782 -15.6005 156.775 9.02878 156.777 -335.508 GPRESSURE: 3308600 104.488 -59.9031 71.5174 -92.8438 -15.9661 159.442 -52.4062 127.68 -309.038 PRESSAVG: 3308600 37.6955 -0.95506 44.2637 -0.955127 7.69597 -15.5191 44.2636 -15.519 -53.2147 GPRESSAVG: 3308600 39.2853 0.758754 43.0803 -2.71862 7.31849 -17.3548 44.1809 -12.8797 -54.1786 TIMING: 3308600 CPU: 9589.47, 0.00288111/step Wall: 9589.47, 0.00288111/step, 1.35364 hours remaining, 210.652344 MB of memory in use. ENERGY: 3308600 707.7797 2091.7556 1979.2879 115.8004 -205538.0697 17551.8103 0.0000 0.0000 34189.6828 -148901.9530 298.5870 -183091.6358 -148802.2887 300.9013 -105.7561 -73.5052 559513.7235 -2.6077 -2.5249 PRESSURE: 3308800 277.43 -23.9058 -165.54 -23.9045 257.579 -30.0588 -165.54 -30.0598 10.8041 GPRESSURE: 3308800 296.226 61.5414 -245.938 -92.1004 262.059 -21.9996 -74.1899 -50.0263 81.922 PRESSAVG: 3308800 3.69269 31.0816 0.534603 31.0816 -12.9273 -28.0645 0.534617 -28.0645 11.6702 GPRESSAVG: 3308800 3.80478 31.5491 -1.20281 30.6036 -13.557 -25.6747 4.08703 -30.0328 11.9526 TIMING: 3308800 CPU: 9590.05, 0.00290861/step Wall: 9590.05, 0.00290861/step, 1.3664 hours remaining, 210.652344 MB of memory in use. ENERGY: 3308800 732.4706 2057.2436 1935.8243 115.3445 -206097.3697 17984.3163 0.0000 0.0000 34365.9756 -148906.1949 300.1266 -183272.1704 -148808.3654 299.5317 181.9378 213.4022 557345.6810 0.8119 0.7335 PRESSURE: 3309000 18.0956 244.891 -30.0499 244.891 304.685 -67.2646 -30.0523 -67.2625 -32.4915 GPRESSURE: 3309000 89.0248 226.426 -64.7915 105.248 312.204 -16.6017 -59.6617 -55.5777 -15.0341 PRESSAVG: 3309000 -9.23511 -1.39074 20.6606 -1.39063 92.6773 17.1247 20.6606 17.1247 -71.5246 GPRESSAVG: 3309000 -9.40482 -1.55478 20.86 -1.40963 93.3435 14.9079 17.9766 18.4743 -71.7641 TIMING: 3309000 CPU: 9590.64, 0.00291459/step Wall: 9590.64, 0.00291459/step, 1.36905 hours remaining, 210.652344 MB of memory in use. ENERGY: 3309000 769.8832 2035.1421 1938.1851 110.3360 -206144.0916 17798.8748 0.0000 0.0000 34497.6140 -148994.0563 301.2762 -183491.6703 -148890.8338 299.8473 96.7631 128.7316 557072.8629 3.9725 4.0582 PRESSURE: 3309200 -29.1591 -101.834 85.1746 -101.835 10.3615 41.8574 85.1738 41.8564 20.2051 GPRESSURE: 3309200 64.6159 -145.533 127.065 -83.7595 9.74124 -33.4704 1.12209 117.906 32.9591 PRESSAVG: 3309200 -61.1316 27.3427 -6.36587 27.3426 16.7684 -11.2925 -6.36586 -11.2926 -8.28974 GPRESSAVG: 3309200 -60.8804 27.5108 -5.56199 27.861 17.0205 -10.5422 -6.0102 -11.4951 -8.52282 TIMING: 3309200 CPU: 9591.22, 0.00290275/step Wall: 9591.22, 0.00290275/step, 1.36332 hours remaining, 210.652344 MB of memory in use. ENERGY: 3309200 743.2427 2071.6612 1953.3531 123.4012 -206326.9084 17821.3241 0.0000 0.0000 34521.2335 -149092.6925 301.4825 -183613.9260 -148993.5702 299.6219 0.4692 35.7721 557121.7390 -17.5510 -17.4609 PRESSURE: 3309400 172.223 165.729 -55.57 165.73 58.1115 -181.448 -55.5681 -181.449 -121.285 GPRESSURE: 3309400 254.253 103.815 -145.958 219.176 73.7693 -188.557 -84.542 -171.559 -109.33 PRESSAVG: 3309400 15.4233 -26.4251 -1.95332 -26.4252 10.2935 11.8974 -1.9534 11.8974 26.5304 GPRESSAVG: 3309400 15.0523 -25.1221 -1.56103 -28.6015 10.7255 15.6644 -1.47137 10.0984 26.5086 TIMING: 3309400 CPU: 9591.8, 0.0029/step Wall: 9591.8, 0.0029/step, 1.36187 hours remaining, 210.652344 MB of memory in use. ENERGY: 3309400 758.3235 2121.6464 1936.5689 122.1017 -206231.0269 17877.4575 0.0000 0.0000 34331.4064 -149083.5224 299.8247 -183414.9288 -148986.6672 300.3855 36.3500 72.8975 557320.3716 17.4157 17.4288 PRESSURE: 3309600 28.3115 41.0393 -67.0383 41.0381 -86.1976 23.5902 -67.0385 23.5905 -68.129 GPRESSURE: 3309600 119.579 -14.4027 -46.1231 103.996 -39.3424 62.9964 -54.43 -10.3448 -96.5941 PRESSAVG: 3309600 42.6741 34.6621 -59.2013 34.662 -11.0601 69.5424 -59.2013 69.5425 -38.8844 GPRESSAVG: 3309600 41.8789 34.5973 -60.7964 35.7747 -10.8613 67.6489 -60.8458 70.5017 -38.7558 TIMING: 3309600 CPU: 9592.38, 0.00289819/step Wall: 9592.38, 0.00289819/step, 1.36086 hours remaining, 210.652344 MB of memory in use. ENERGY: 3309600 760.5070 2008.4826 1942.0756 110.7581 -206096.2806 17892.6095 0.0000 0.0000 34372.6302 -149009.2176 300.1847 -183381.8478 -148910.3090 299.3896 -42.0050 -5.4526 558843.7197 -2.4235 -2.5794 PRESSURE: 3309800 26.815 134.851 -55.1337 134.852 -261.03 -101.224 -55.1339 -101.224 -131.725 GPRESSURE: 3309800 127.826 152.484 -49.6612 86.4923 -237.205 -133.121 -41.7883 -100.764 -157.997 PRESSAVG: 3309800 111.853 36.3434 -48.9164 36.3435 33.0645 49.0762 -48.9164 49.0763 -113.843 GPRESSAVG: 3309800 112.914 34.5059 -45.9168 36.0381 32.8697 50.3358 -49.1237 48.7687 -114.583 TIMING: 3309800 CPU: 9592.96, 0.00290071/step Wall: 9592.96, 0.00290071/step, 1.36188 hours remaining, 210.652344 MB of memory in use. ENERGY: 3309800 747.5437 2116.0156 1948.0822 109.7192 -205861.4463 17553.1013 0.0000 0.0000 34412.6347 -148974.3494 300.5341 -183386.9842 -148875.1529 299.9403 -121.9798 -89.1251 557130.7397 10.3582 10.4001 PRESSURE: 3310000 147.297 -111.679 -112.183 -111.679 -111.738 70.5489 -112.183 70.55 291.173 GPRESSURE: 3310000 158.621 -238.868 -54.0603 -5.80587 -74.2386 39.7535 -166.807 94.6785 338.877 PRESSAVG: 3310000 92.9812 -6.63707 37.8555 -6.63701 -94.8096 -51.4773 37.8556 -51.4772 -4.23551 GPRESSAVG: 3310000 93.0704 -7.35687 37.0608 -5.16284 -94.1507 -51.779 38.3402 -52.421 -4.50753 TIMING: 3310000 CPU: 9593.54, 0.00289282/step Wall: 9593.54, 0.00289282/step, 1.35802 hours remaining, 210.652344 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: 3310000 750.2934 2059.9994 1954.2259 113.7590 -206400.6396 18076.8178 0.0000 0.0000 34395.8572 -149049.6867 300.3876 -183445.5440 -148953.9411 299.6245 108.9111 141.0865 557650.9900 -2.0213 -1.8626 PRESSURE: 3310200 69.7319 70.4318 227.186 70.4311 105.675 141.666 227.186 141.666 46.4664 GPRESSURE: 3310200 110.114 20.7162 241.528 66.7547 94.3007 175.349 197.042 105.934 118.547 PRESSAVG: 3310200 102.932 -18.7228 53.1442 -18.7228 -67.9558 -30.6282 53.144 -30.6281 -21.1 GPRESSAVG: 3310200 101.487 -17.2701 53.9449 -20.2982 -68.0393 -32.478 56.034 -29.2423 -19.6211 TIMING: 3310200 CPU: 9594.12, 0.00289997/step Wall: 9594.12, 0.00289997/step, 1.36121 hours remaining, 210.652344 MB of memory in use. ENERGY: 3310200 732.6960 2115.6837 1917.1806 100.4349 -206177.8613 17917.9517 0.0000 0.0000 34323.9084 -149070.0061 299.7592 -183393.9145 -148979.2096 299.0767 73.9576 107.6539 557709.0135 4.6253 4.6089 PRESSURE: 3310400 151.687 5.30692 36.2299 5.30878 -155.248 -244.628 36.2309 -244.627 154.65 GPRESSURE: 3310400 226.11 -48.6801 36.8539 49.6933 -195.155 -356.888 10.1379 -131.435 214.161 PRESSAVG: 3310400 -13.8676 27.2197 72.7513 27.2196 -46.449 0.300933 72.7514 0.30091 67.9951 GPRESSAVG: 3310400 -13.0234 26.61 70.9373 28.3688 -46.6417 2.0646 71.3032 -1.34484 67.2662 TIMING: 3310400 CPU: 9594.69, 0.00286788/step Wall: 9594.69, 0.00286788/step, 1.34599 hours remaining, 210.652344 MB of memory in use. ENERGY: 3310400 696.8817 2145.0438 1949.6380 103.2094 -206290.5646 17966.9057 0.0000 0.0000 34358.2083 -149070.6776 300.0588 -183428.8859 -148971.5544 299.2850 50.3630 81.7052 558120.9125 2.5595 2.5337 PRESSURE: 3310600 -114.477 187.039 9.07736 187.039 192.081 148.942 9.07675 148.942 -80.9877 GPRESSURE: 3310600 -131.602 141.547 104.73 264.407 184.087 84.599 -20.3369 161.775 36.9398 PRESSAVG: 3310600 18.9704 4.51478 -2.34979 4.51481 -60.437 -45.8094 -2.34985 -45.8095 33.7191 GPRESSAVG: 3310600 18.8266 4.18575 -0.88709 3.09145 -61.2551 -48.2403 -4.36199 -43.9611 34.6057 TIMING: 3310600 CPU: 9595.27, 0.00288184/step Wall: 9595.27, 0.00288184/step, 1.35238 hours remaining, 210.652344 MB of memory in use. ENERGY: 3310600 744.9675 2106.3671 1945.0347 120.2437 -206250.7112 17798.7740 0.0000 0.0000 34255.3190 -149280.0051 299.1602 -183535.3241 -149181.6259 299.4435 -1.1281 29.8083 557651.4648 -2.5825 -2.6076 PRESSURE: 3310800 -6.33896 -196.396 127.238 -196.397 -254.554 38.1449 127.236 38.1459 -223.233 GPRESSURE: 3310800 88.9961 -221.461 109.46 -139.574 -253.784 24.9298 107.671 97.2807 -204.709 PRESSAVG: 3310800 -49.2118 -13.2035 9.73167 -13.2035 29.916 12.4461 9.73165 12.4461 11.5927 GPRESSAVG: 3310800 -48.5934 -12.1496 8.46163 -12.3692 31.032 12.2779 10.0794 12.4312 9.88744 TIMING: 3310800 CPU: 9595.84, 0.00289178/step Wall: 9595.84, 0.00289178/step, 1.35689 hours remaining, 210.652344 MB of memory in use. ENERGY: 3310800 734.4202 2110.7331 1938.8211 113.6626 -206275.7499 17589.3318 0.0000 0.0000 34324.9836 -149463.7974 299.7686 -183788.7811 -149373.8292 299.3498 -161.3751 -123.1654 557611.9032 -2.5677 -2.5580 PRESSURE: 3311000 -196.456 145.456 11.2574 145.456 -193.365 118.809 11.258 118.81 -96.0494 GPRESSURE: 3311000 -184.217 147.758 33.8333 135.947 -156.361 78.9903 53.9902 200.465 -41.7614 PRESSAVG: 3311000 -46.1542 3.14311 -15.7552 3.14299 30.7409 25.1819 -15.7552 25.1819 17.6086 GPRESSAVG: 3311000 -46.0972 0.582925 -15.7697 3.35904 29.1992 25.8406 -15.6818 24.5904 18.8913 TIMING: 3311000 CPU: 9596.43, 0.0029041/step Wall: 9596.43, 0.0029041/step, 1.36251 hours remaining, 210.652344 MB of memory in use. ENERGY: 3311000 776.7787 2060.7743 1928.4308 107.8032 -205739.1281 17518.6808 0.0000 0.0000 34075.0213 -149271.6390 297.5856 -183346.6603 -149181.4146 299.2675 -161.9570 -127.4466 557737.7182 0.7318 0.6644 PRESSURE: 3311200 57.4494 123.792 -30.1219 123.792 -38.297 8.69437 -30.1203 8.69383 55.9964 GPRESSURE: 3311200 51.9253 115.205 -106.983 99.7333 20.8411 -37.8543 4.82949 21.34 103.614 PRESSAVG: 3311200 2.48498 56.4968 -5.54956 56.4968 17.8701 2.66426 -5.54951 2.66423 3.01542 GPRESSAVG: 3311200 1.97632 56.5753 -4.06128 56.2325 18.4847 1.182 -5.24063 3.0937 3.27276 TIMING: 3311200 CPU: 9597, 0.00287619/step Wall: 9597, 0.00287619/step, 1.34925 hours remaining, 210.652344 MB of memory in use. ENERGY: 3311200 704.7262 2089.8070 1956.0589 106.6139 -206197.7639 17799.9156 0.0000 0.0000 34233.8358 -149306.8064 298.9726 -183540.6422 -149209.4378 299.0234 25.0496 58.7936 556533.3241 7.7902 7.9113 PRESSURE: 3311400 -14.6876 -23.2118 0.703516 -23.2107 -185.126 18.6462 0.704193 18.6464 234.447 GPRESSURE: 3311400 35.2744 -12.3482 70.1045 -27.8916 -135.456 -82.7054 -71.6207 35.2303 247.935 PRESSAVG: 3311400 0.18101 23.709 -57.9327 23.709 4.00914 -41.7801 -57.9327 -41.7801 31.4934 GPRESSAVG: 3311400 -0.0661443 25.939 -58.2389 24.7982 5.364 -40.003 -57.0137 -40.5707 30.4096 TIMING: 3311400 CPU: 9597.57, 0.00286598/step Wall: 9597.57, 0.00286598/step, 1.3443 hours remaining, 210.652344 MB of memory in use. ENERGY: 3311400 726.1682 2132.7864 1952.4544 109.5212 -206118.2950 17726.1841 0.0000 0.0000 34124.0519 -149347.1288 298.0138 -183471.1807 -149257.2902 298.8125 11.5443 49.2512 557466.3699 11.8945 11.9025 PRESSURE: 3311600 -14.9862 -23.4578 161.992 -23.4559 28.5261 182.376 161.992 182.375 -141.3 GPRESSURE: 3311600 50.8114 -47.341 192.177 81.8606 75.0667 126.857 135.234 127.97 -169.449 PRESSAVG: 3311600 42.3 5.48576 -28.9887 5.48569 -21.3384 10.3336 -28.9886 10.3335 2.7822 GPRESSAVG: 3311600 42.2119 3.34165 -28.196 5.67763 -21.4199 10.4107 -31.6173 6.8528 2.89345 TIMING: 3311600 CPU: 9598.15, 0.00287586/step Wall: 9598.15, 0.00287586/step, 1.34878 hours remaining, 210.652344 MB of memory in use. ENERGY: 3311600 751.5323 2119.6203 1939.5514 124.1564 -206412.1325 17908.2599 0.0000 0.0000 34222.1325 -149346.8797 298.8704 -183569.0122 -149244.6211 298.7305 -42.5868 -14.5238 556156.3111 7.9146 7.8951 PRESSURE: 3311800 49.3757 -179.315 77.7038 -179.316 73.1301 180.781 77.7049 180.78 -48.4703 GPRESSURE: 3311800 6.54965 -204.887 95.94 -137.7 160.952 139.992 -1.36242 244.668 13.5026 PRESSAVG: 3311800 -53.6437 -6.10371 -12.7254 -6.10375 37.4884 30.6292 -12.7254 30.6292 -38.6647 GPRESSAVG: 3311800 -52.7018 -4.46583 -11.6118 -7.14166 36.5377 28.6686 -11.9895 32.2547 -38.9024 TIMING: 3311800 CPU: 9598.73, 0.00289419/step Wall: 9598.73, 0.00289419/step, 1.35721 hours remaining, 210.652344 MB of memory in use. ENERGY: 3311800 734.5807 2147.1496 1928.6677 111.6335 -206398.2334 17943.9942 0.0000 0.0000 34182.1903 -149350.0173 298.5216 -183532.2075 -149252.5070 298.9839 24.6785 60.3348 557786.2155 -18.2733 -18.3555 PRESSURE: 3312000 -149.979 -55.0915 87.2179 -55.0913 80.2816 -21.7933 87.2185 -21.7933 -63.2099 GPRESSURE: 3312000 -125.986 -87.1182 -3.17171 5.57244 81.4532 62.9535 199.441 -62.7548 13.91 PRESSAVG: 3312000 -19.3541 -7.46839 -48.8218 -7.46835 66.5198 48.4301 -48.8217 48.4301 -31.6199 GPRESSAVG: 3312000 -20.2931 -7.95906 -49.338 -8.78617 66.5358 49.9986 -48.502 49.465 -31.1751 TIMING: 3312000 CPU: 9599.31, 0.00290742/step Wall: 9599.31, 0.00290742/step, 1.36326 hours remaining, 210.652344 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: 3312000 745.0951 2100.5120 1950.5662 107.3117 -206227.8682 17802.5401 0.0000 0.0000 34245.1592 -149276.6839 299.0715 -183521.8431 -149179.3400 298.9588 -44.3025 -10.2076 557991.7222 5.1819 5.0226 PRESSURE: 3312200 -5.77425 -44.9457 -62.7989 -44.9463 -167.124 246.684 -62.7988 246.685 124.999 GPRESSURE: 3312200 39.5952 -80.8266 -117.886 -43.4234 -115.419 165.322 -54.4716 250.523 132.118 PRESSAVG: 3312200 -48.7888 18.0141 -18.0919 18.0141 4.41124 46.82 -18.0918 46.8201 20.5529 GPRESSAVG: 3312200 -48.2902 20.1815 -17.8626 17.0653 4.80667 46.9126 -19.8519 46.7963 19.9822 TIMING: 3312200 CPU: 9599.89, 0.00291047/step Wall: 9599.89, 0.00291047/step, 1.36452 hours remaining, 210.652344 MB of memory in use. ENERGY: 3312200 726.2950 2130.4676 1936.1101 123.1840 -206648.0831 17949.9719 0.0000 0.0000 34501.7019 -149280.3525 301.3119 -183782.0544 -149179.9945 299.1004 -15.9664 18.7649 558398.1189 -7.9416 -7.8338 LDB: ============= START OF LOAD BALANCING ============== 9603.28 LDB: ============== END OF LOAD BALANCING =============== 9603.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9603.28 LDB: ============= START OF LOAD BALANCING ============== 9603.57 LDB: Largest compute 4792 load 0.023371 is 19.8% of average load 0.117984 LDB: Average compute 0.001732 is 1.5% of average load 0.117984 LDB: TIME 9603.57 LOAD: AVG 0.117984 MAX 0.1791 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.09 MB LDB: TIME 9603.57 LOAD: AVG 0.117984 MAX 0.1791 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.09 MB LDB: TIME 9603.57 LOAD: AVG 0.117984 MAX 0.1791 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.09 MB LDB: ============== END OF LOAD BALANCING =============== 9603.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9603.58 PRESSURE: 3312400 -92.2845 120.086 -92.4042 120.085 76.8604 -200.65 -92.4043 -200.65 17.512 GPRESSURE: 3312400 -45.7711 117.676 -109.866 133.634 59.5382 -229.87 -69.8993 -110.071 94.4699 PRESSAVG: 3312400 5.45616 1.57755 -0.0662521 1.57743 6.64037 6.31718 -0.0660722 6.31717 16.2665 GPRESSAVG: 3312400 5.09325 -0.114874 -0.863519 4.3992 7.18876 5.43017 1.60198 7.05165 16.0304 TIMING: 3312400 CPU: 9600.48, 0.0029598/step Wall: 9600.48, 0.0029598/step, 1.38749 hours remaining, 209.414062 MB of memory in use. ENERGY: 3312400 794.2436 2094.3428 1945.7482 106.3987 -206304.5365 17846.3203 0.0000 0.0000 34403.4168 -149114.0660 300.4536 -183517.4828 -149016.4397 299.0246 0.6960 36.0790 557069.1676 9.4543 9.4375 PRESSURE: 3312600 -162.632 -12.0961 -67.0879 -12.0961 72.5327 61.3919 -67.0875 61.392 -60.3752 GPRESSURE: 3312600 -107.624 68.678 -105.993 -49.9142 98.9282 -1.8344 -15.6228 59.4703 -53.4938 PRESSAVG: 3312600 -57.6791 -34.9444 -14.4136 -34.9445 54.1373 78.3175 -14.4136 78.3176 64.2096 GPRESSAVG: 3312600 -58.0664 -33.2089 -14.8575 -36.7226 53.575 79.9687 -13.7657 76.4465 64.7667 TIMING: 3312600 CPU: 9601.07, 0.00292509/step Wall: 9601.07, 0.00292509/step, 1.37105 hours remaining, 209.429688 MB of memory in use. ENERGY: 3312600 758.0773 2123.6185 1920.0260 106.4074 -206651.5560 18043.9742 0.0000 0.0000 34471.6186 -149227.8340 301.0492 -183699.4526 -149126.1366 299.7884 -50.1583 -20.7299 558320.6285 20.2226 20.0918 PRESSURE: 3312800 -41.2494 -15.7835 55.1039 -15.7844 24.0959 27.7005 55.1048 27.7027 -153.925 GPRESSURE: 3312800 -20.1528 -25.1304 53.9675 -10.5059 16.3424 73.1998 40.3214 -46.0006 -57.1119 PRESSAVG: 3312800 -29.9336 -12.9675 -8.55421 -12.9675 17.8715 29.1998 -8.55417 29.1998 31.6682 GPRESSAVG: 3312800 -28.8496 -14.7877 -7.60682 -11.2319 16.6658 31.07 -9.55952 29.1788 32.0327 TIMING: 3312800 CPU: 9601.65, 0.00290388/step Wall: 9601.65, 0.00290388/step, 1.36095 hours remaining, 209.429688 MB of memory in use. ENERGY: 3312800 760.5751 2122.6002 1946.0056 108.6361 -206248.1423 17911.7747 0.0000 0.0000 34366.6421 -149031.9085 300.1324 -183398.5506 -148937.8814 299.4981 -57.0261 -20.3074 558580.7559 6.5353 6.6163 PRESSURE: 3313000 -361.912 33.7001 116.44 33.6988 -116.344 40.5373 116.439 40.5377 -91.3742 GPRESSURE: 3313000 -336.925 111.322 159.88 28.7402 -93.7966 31.5786 172.024 41.1883 -43.055 PRESSAVG: 3313000 27.2798 7.40393 -50.2139 7.40385 -17.0746 -23.5223 -50.2139 -23.5223 -5.71601 GPRESSAVG: 3313000 27.1849 7.006 -50.0754 5.71342 -16.3051 -27.4027 -50.0847 -24.3244 -7.10592 TIMING: 3313000 CPU: 9602.23, 0.00289393/step Wall: 9602.23, 0.00289393/step, 1.35613 hours remaining, 209.429688 MB of memory in use. ENERGY: 3313000 757.5780 2149.3640 1968.6974 121.3636 -206036.8996 17619.6888 0.0000 0.0000 34181.2641 -149238.9438 298.5135 -183420.2079 -149145.3109 299.3160 -189.8768 -157.9255 558040.1494 1.4964 1.2580 PRESSURE: 3313200 -229.1 20.2566 -57.0324 20.2563 -35.4843 -34.6571 -57.0313 -34.6568 307.715 GPRESSURE: 3313200 -210.683 -56.2127 5.3572 74.2293 26.2082 16.4164 -43.7374 -91.6844 327.605 PRESSAVG: 3313200 -37.1235 -8.42762 -16.9111 -8.42757 59.0572 -11.1337 -16.9111 -11.1336 22.7227 GPRESSAVG: 3313200 -38.003 -7.43294 -18.0444 -5.85044 58.8107 -8.09258 -18.3577 -10.0798 24.0467 TIMING: 3313200 CPU: 9602.81, 0.00291154/step Wall: 9602.81, 0.00291154/step, 1.36422 hours remaining, 209.429688 MB of memory in use. ENERGY: 3313200 747.0658 2144.5412 1938.5944 110.3264 -206129.6886 17883.6688 0.0000 0.0000 34120.4832 -149185.0089 297.9827 -183305.4921 -149082.4976 299.5540 14.3769 47.7102 557875.4975 14.8855 14.9514 PRESSURE: 3313400 -114.904 -9.37596 -1.53869 -9.37591 -4.13731 161.019 -1.53993 161.019 -312.166 GPRESSURE: 3313400 -71.7717 -44.4002 2.91091 52.6519 27.841 64.6856 -48.9655 162.428 -291.403 PRESSAVG: 3313400 -31.6474 -8.77495 -20.1243 -8.77492 -10.0542 56.0931 -20.1243 56.0931 56.5891 GPRESSAVG: 3313400 -31.475 -10.963 -19.9473 -9.53803 -9.8479 52.8992 -17.5552 56.2717 56.2756 TIMING: 3313400 CPU: 9603.39, 0.002906/step Wall: 9603.39, 0.002906/step, 1.36146 hours remaining, 209.429688 MB of memory in use. ENERGY: 3313400 735.5770 2157.8037 1955.6263 107.2600 -206017.7537 17594.4750 0.0000 0.0000 34383.3561 -149083.6556 300.2784 -183467.0117 -148984.7587 300.0007 -143.7358 -111.7779 557862.5876 4.9625 4.9842 PRESSURE: 3313600 119.368 -171.93 84.1611 -171.928 50.6489 -34.3106 84.161 -34.3104 154.728 GPRESSURE: 3313600 176.932 -135.386 98.3804 -176.3 65.8913 -33.8176 110.15 -148.499 166.536 PRESSAVG: 3313600 -23.4214 27.1163 12.2065 27.1163 -25.9425 32.5691 12.2064 32.5691 0.0899928 GPRESSAVG: 3313600 -22.3805 30.2896 11.2252 25.3783 -26.6859 34.7822 10.0124 31.8542 -0.559298 TIMING: 3313600 CPU: 9603.98, 0.00292088/step Wall: 9603.98, 0.00292088/step, 1.36827 hours remaining, 209.429688 MB of memory in use. ENERGY: 3313600 752.7536 2085.7491 1935.9996 94.0895 -206240.6718 17872.9727 0.0000 0.0000 34417.0407 -149082.0665 300.5726 -183499.1073 -148987.2646 300.2829 108.2484 136.4531 557168.8613 -16.4247 -16.5419 PRESSURE: 3313800 -131.08 -10.2278 0.783725 -10.2275 -42.1888 -39.2255 0.784139 -39.2253 25.3554 GPRESSURE: 3313800 -119.625 1.17334 -68.8514 0.0365885 28.1759 -71.9515 168.464 -49.3231 38.8467 PRESSAVG: 3313800 8.75797 -13.0663 8.40299 -13.0663 -5.86313 -0.459775 8.40298 -0.459765 -10.9016 GPRESSAVG: 3313800 7.77812 -14.3188 12.1099 -12.6245 -5.06175 -2.71051 8.33296 -0.1975 -10.7497 TIMING: 3313800 CPU: 9604.55, 0.00288474/step Wall: 9604.55, 0.00288474/step, 1.35118 hours remaining, 209.429688 MB of memory in use. ENERGY: 3313800 752.5455 2100.9196 1955.1138 124.0427 -205904.2186 17712.4862 0.0000 0.0000 34311.9221 -148947.1887 299.6545 -183259.1108 -148846.5879 299.4123 -49.3046 -17.5340 556806.9152 -2.6689 -2.6778 PRESSURE: 3314000 32.6299 -24.5236 -65.3837 -24.5224 73.4148 -34.0048 -65.3839 -34.0053 76.9796 GPRESSURE: 3314000 86.3459 -7.98336 -49.0385 -19.5954 49.0575 52.5979 -37.8739 -151.009 135.448 PRESSAVG: 3314000 13.8071 24.5091 -14.5442 24.5091 -45.0311 16.4455 -14.5442 16.4456 39.8595 GPRESSAVG: 3314000 13.5288 25.0348 -18.0612 23.5811 -44.5614 19.0353 -11.5433 13.9354 40.0446 TIMING: 3314000 CPU: 9605.13, 0.00288682/step Wall: 9605.13, 0.00288682/step, 1.352 hours remaining, 209.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3314000 770.9275 2095.9500 1955.2777 121.0069 -205879.9176 17766.0872 0.0000 0.0000 34318.4935 -148852.1748 299.7119 -183170.6683 -148761.5456 300.5078 61.0081 90.2837 556913.2007 2.8785 3.0040 PRESSURE: 3314200 -137.959 37.9497 -164.541 37.9491 -83.919 23.481 -164.54 23.4812 -44.1339 GPRESSURE: 3314200 -125.021 55.1753 -139.606 -5.22559 -113.666 -20.3059 -122.413 91.8701 61.4282 PRESSAVG: 3314200 -37.2653 -30.4195 -37.0412 -30.4196 -12.7521 14.7058 -37.0413 14.7059 17.7371 GPRESSAVG: 3314200 -37.3078 -30.3469 -38.3347 -28.6823 -13.5426 15.1236 -37.0673 18.3645 18.7388 TIMING: 3314200 CPU: 9605.71, 0.00288229/step Wall: 9605.71, 0.00288229/step, 1.34971 hours remaining, 209.429688 MB of memory in use. ENERGY: 3314200 721.9172 2059.7021 1958.7328 119.0800 -205665.7238 17486.5268 0.0000 0.0000 34415.2811 -148904.4838 300.5572 -183319.7649 -148804.5482 300.4668 -88.6705 -59.0862 559256.5228 -10.7601 -10.7039 PRESSURE: 3314400 -375.099 -28.5802 -148.079 -28.5802 5.97963 -110.285 -148.079 -110.286 3.67088 GPRESSURE: 3314400 -321.8 44.5958 -164.629 -61.8362 42.7939 -93.8519 -129.077 -112.737 12.3906 PRESSAVG: 3314400 -83.5666 11.6302 -47.2534 11.6303 19.9758 15.4131 -47.2534 15.4131 75.4083 GPRESSAVG: 3314400 -83.0306 12.3036 -47.5461 9.53476 20.8919 14.3767 -47.7263 14.1793 73.5115 TIMING: 3314400 CPU: 9606.28, 0.00287496/step Wall: 9606.28, 0.00287496/step, 1.34612 hours remaining, 209.429688 MB of memory in use. ENERGY: 3314400 755.9696 2081.5732 1933.2025 102.4414 -205966.8124 17617.6508 0.0000 0.0000 34490.1332 -148985.8417 301.2109 -183475.9749 -148885.6231 300.9465 -121.8162 -88.8717 558068.7147 3.9392 3.7909 PRESSURE: 3314600 67.6679 5.0194 15.4174 5.01782 26.1244 59.0224 15.4188 59.0216 176.42 GPRESSURE: 3314600 111.131 -18.4858 83.6226 38.4774 89.3997 39.5189 -8.20462 119.441 161.898 PRESSAVG: 3314600 -17.7968 -27.4814 -38.8889 -27.4814 -6.51178 -38.2135 -38.8888 -38.2134 43.5283 GPRESSAVG: 3314600 -18.2263 -28.1098 -35.572 -25.4699 -7.68914 -36.0964 -40.9616 -39.0843 45.1857 TIMING: 3314600 CPU: 9606.86, 0.00287597/step Wall: 9606.86, 0.00287597/step, 1.34644 hours remaining, 209.429688 MB of memory in use. ENERGY: 3314600 735.0377 2165.3114 1914.7951 116.6038 -206198.0390 17921.8404 0.0000 0.0000 34534.1593 -148810.2913 301.5954 -183344.4507 -148715.5065 300.4365 90.0706 120.8098 556321.5576 6.4066 6.4234 PRESSURE: 3314800 -186.739 -118.145 -106.725 -118.145 -262.538 -13.4085 -106.726 -13.4091 -182.593 GPRESSURE: 3314800 -166.537 -146.665 -130.942 -115.085 -231.967 40.8008 -79.0076 31.1133 -137.821 PRESSAVG: 3314800 3.25585 -46.6524 -19.885 -46.6525 4.1079 15.57 -19.8849 15.57 -5.292 GPRESSAVG: 3314800 2.47069 -47.5955 -22.266 -47.5261 4.41813 13.7096 -17.1427 17.494 -5.31082 TIMING: 3314800 CPU: 9607.43, 0.0028699/step Wall: 9607.43, 0.0028699/step, 1.34343 hours remaining, 209.429688 MB of memory in use. ENERGY: 3314800 743.6860 2184.5363 1923.6934 101.0897 -205361.3643 17296.5729 0.0000 0.0000 34368.9601 -148742.8259 300.1527 -183111.7860 -148642.1804 300.9116 -210.6235 -178.7750 559266.3274 0.6906 0.5260 PRESSURE: 3315000 -170.942 -12.0039 75.6104 -12.0043 -442.352 92.0184 75.6109 92.019 -37.2521 GPRESSURE: 3315000 -189.458 -92.0132 114.176 74.1076 -408.006 149.336 98.7585 61.6364 43.6244 PRESSAVG: 3315000 0.56148 -22.838 -25.7585 -22.838 -39.3483 45.5897 -25.7585 45.5896 51.2746 GPRESSAVG: 3315000 0.263575 -24.4259 -23.7436 -22.1382 -39.0335 45.5206 -27.6376 42.5659 50.9399 TIMING: 3315000 CPU: 9608, 0.00287088/step Wall: 9608, 0.00287088/step, 1.34373 hours remaining, 209.429688 MB of memory in use. ENERGY: 3315000 766.4176 2157.4007 1931.9765 102.0801 -205564.5724 17570.0068 0.0000 0.0000 34303.7923 -148732.8984 299.5836 -183036.6907 -148635.3069 300.8382 -216.8488 -184.6130 559859.1617 4.1626 4.0567 PRESSURE: 3315200 127.386 18.1362 93.8744 18.1356 -190.337 -41.1006 93.8739 -41.1011 222.037 GPRESSURE: 3315200 176.83 60.7346 22.4299 -28.1532 -149.058 -107.103 89.0274 1.53705 233.903 PRESSAVG: 3315200 22.8655 23.7775 26.6762 23.7775 -57.5324 -2.06266 26.6761 -2.06265 -20.3711 GPRESSAVG: 3315200 24.5857 27.1507 26.3042 21.4838 -58.1973 -1.73377 27.1732 0.609106 -20.8983 TIMING: 3315200 CPU: 9608.58, 0.00289883/step Wall: 9608.58, 0.00289883/step, 1.35665 hours remaining, 209.429688 MB of memory in use. ENERGY: 3315200 743.9017 2070.7213 1940.2786 115.0207 -205949.3383 17865.5798 0.0000 0.0000 34514.9852 -148698.8510 301.4279 -183213.8362 -148603.7663 300.5969 53.0287 87.2253 557818.2852 -18.3460 -18.1699 PRESSURE: 3315400 269.311 -24.0336 -8.80083 -24.0333 -303.546 -56.4865 -8.8009 -56.4889 62.883 GPRESSURE: 3315400 275.414 -11.5809 -26.9225 -56.3557 -260.093 -6.69837 -10.2415 -25.2208 124.306 PRESSAVG: 3315400 19.0402 42.9154 11.434 42.9154 10.8444 9.19134 11.434 9.1913 -23.2163 GPRESSAVG: 3315400 18.0657 42.8586 9.21292 44.0123 11.9246 8.69403 12.0022 8.88066 -23.4867 TIMING: 3315400 CPU: 9609.16, 0.00287285/step Wall: 9609.16, 0.00287285/step, 1.34433 hours remaining, 209.429688 MB of memory in use. ENERGY: 3315400 762.3955 2070.5148 1960.2101 117.2941 -205767.4591 17818.4829 0.0000 0.0000 34440.9976 -148597.5641 300.7818 -183038.5617 -148500.4775 300.5095 9.5492 46.5419 557582.2412 2.2228 2.1678 PRESSURE: 3315600 -95.0651 27.2029 -78.3209 27.2018 -57.1108 -57.6352 -78.3207 -57.635 -206.933 GPRESSURE: 3315600 -71.408 -59.8744 -122.298 56.2583 27.7864 -46.5345 -6.26526 30.745 -216.797 PRESSAVG: 3315600 -11.3796 11.3877 -7.58469 11.3878 -15.151 11.742 -7.58467 11.7419 77.4028 GPRESSAVG: 3315600 -11.6935 10.0656 -5.7258 11.6768 -15.0774 10.0547 -7.61048 12.1439 78.353 TIMING: 3315600 CPU: 9609.74, 0.0028891/step Wall: 9609.74, 0.0028891/step, 1.35178 hours remaining, 209.429688 MB of memory in use. ENERGY: 3315600 784.8406 2156.5595 1944.9697 109.6027 -205562.5034 17550.8122 0.0000 0.0000 34332.6541 -148683.0646 299.8356 -183015.7187 -148586.0277 300.6584 -119.7031 -86.8061 557957.3908 16.9574 17.1940 PRESSURE: 3315800 48.2945 -187.67 21.0548 -187.669 67.5486 -79.4829 21.055 -79.4843 154.676 GPRESSURE: 3315800 106.413 -192.718 18.1292 -296.538 99.9079 -56.8799 -66.108 -101.682 163.021 PRESSAVG: 3315800 -23.7431 -59.7326 16.0291 -59.7327 -11.6522 -2.19921 16.0292 -2.19912 37.8698 GPRESSAVG: 3315800 -22.398 -59.4639 14.3575 -61.3104 -12.7361 0.0561727 17.2139 -2.32686 38.1207 TIMING: 3315800 CPU: 9610.31, 0.00288465/step Wall: 9610.31, 0.00288465/step, 1.34954 hours remaining, 209.429688 MB of memory in use. ENERGY: 3315800 750.6892 2116.7746 1974.7779 117.6547 -206198.8500 17968.0962 0.0000 0.0000 34473.3428 -148797.5148 301.0643 -183270.8576 -148687.6792 300.3803 90.1731 123.1139 557631.6036 0.8248 0.9955 PRESSURE: 3316000 -9.00509 82.7052 -70.2201 82.7052 114.424 -113.41 -70.2205 -113.411 -138.408 GPRESSURE: 3316000 69.6704 44.9396 -43.1172 152.119 113.186 -68.8869 -59.5716 -156.927 -101.083 PRESSAVG: 3316000 -31.7517 1.675 21.658 1.67507 -10.6479 10.6339 21.658 10.634 65.4678 GPRESSAVG: 3316000 -32.4577 1.90084 22.7219 2.00987 -9.2301 11.4272 21.6648 10.0072 64.908 TIMING: 3316000 CPU: 9610.89, 0.0028848/step Wall: 9610.89, 0.0028848/step, 1.34944 hours remaining, 209.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3316000 749.8533 2109.9006 1924.9358 117.6348 -205651.6970 17587.0834 0.0000 0.0000 34370.8839 -148791.4052 300.1695 -183162.2891 -148693.2029 300.3893 -10.9964 27.2578 557617.7660 7.6894 7.7400 PRESSURE: 3316200 25.7833 7.86832 39.772 7.87037 145.508 176.687 39.7731 176.686 -48.7964 GPRESSURE: 3316200 14.6931 72.4276 40.3351 53.7082 196.817 150.82 85.3949 164.412 8.86829 PRESSAVG: 3316200 -38.667 26.7648 43.3183 26.7649 -44.4028 1.00194 43.3183 1.00197 62.7631 GPRESSAVG: 3316200 -39.3365 26.0399 43.0959 26.9043 -43.7548 -0.347334 41.8658 1.22637 63.0993 TIMING: 3316200 CPU: 9611.47, 0.0028823/step Wall: 9611.47, 0.0028823/step, 1.34812 hours remaining, 209.429688 MB of memory in use. ENERGY: 3316200 726.5398 2039.9728 1939.9753 117.1897 -205736.6901 17671.0095 0.0000 0.0000 34476.5041 -148765.4989 301.0919 -183242.0030 -148665.8973 300.4311 40.8316 73.4595 557428.0924 -6.7689 -6.6640 LDB: ============= START OF LOAD BALANCING ============== 9614.85 LDB: ============== END OF LOAD BALANCING =============== 9614.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9614.86 LDB: ============= START OF LOAD BALANCING ============== 9615.15 LDB: Largest compute 4792 load 0.022766 is 19.3% of average load 0.118030 LDB: Average compute 0.001732 is 1.5% of average load 0.118030 LDB: TIME 9615.15 LOAD: AVG 0.11803 MAX 0.179446 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.43 MB LDB: TIME 9615.15 LOAD: AVG 0.11803 MAX 0.179446 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.43 MB LDB: TIME 9615.15 LOAD: AVG 0.11803 MAX 0.179446 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.43 MB LDB: ============== END OF LOAD BALANCING =============== 9615.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9615.16 PRESSURE: 3316400 23.4002 1.77126 -46.9285 1.76908 148.31 28.7291 -46.9277 28.7297 -80.0208 GPRESSURE: 3316400 65.9925 31.0514 -101.354 -23.648 169.481 19.9991 -40.0411 -43.3928 -46.8599 PRESSAVG: 3316400 -62.224 12.5175 -20.7738 12.5175 99.8626 6.86327 -20.7738 6.86338 -17.0105 GPRESSAVG: 3316400 -62.4805 11.4391 -20.9001 14.032 99.1695 4.28332 -19.158 6.78696 -16.6929 TIMING: 3316400 CPU: 9612.06, 0.00296343/step Wall: 9612.06, 0.00296343/step, 1.3859 hours remaining, 209.941406 MB of memory in use. ENERGY: 3316400 750.3672 2067.8599 1946.9787 118.7530 -205806.0779 17623.7108 0.0000 0.0000 34409.1422 -148889.2661 300.5036 -183298.4083 -148788.6833 300.0585 30.5631 62.8713 557669.5459 6.8760 6.6654 PRESSURE: 3316600 -286.847 -13.9911 -85.9714 -13.9903 -103.213 74.2392 -85.9737 74.2405 -82.4332 GPRESSURE: 3316600 -214.421 0.305778 -67.7589 -54.3395 -64.3639 128.493 -29.947 79.0889 -91.0407 PRESSAVG: 3316600 -0.397324 -3.20314 -27.7972 -3.20317 14.7572 43.3576 -27.7973 43.3576 1.31319 GPRESSAVG: 3316600 -0.196866 -3.54735 -26.5442 -3.28321 15.2978 45.3077 -28.4056 42.7613 -0.0309446 TIMING: 3316600 CPU: 9612.64, 0.00291477/step Wall: 9612.64, 0.00291477/step, 1.36298 hours remaining, 209.941406 MB of memory in use. ENERGY: 3316600 696.0070 2136.3402 1932.5072 111.0387 -205279.1242 17402.5668 0.0000 0.0000 34232.9099 -148767.7545 298.9645 -183000.6644 -148684.7677 299.6019 -157.4976 -123.2751 558373.6616 5.2243 5.0233 PRESSURE: 3316800 -68.5056 12.2341 -131.224 12.2356 152.262 73.822 -131.225 73.8213 -56.3834 GPRESSURE: 3316800 -23.2126 25.2705 -135.463 5.25812 231.501 -4.53816 -123.942 101.419 -84.2369 PRESSAVG: 3316800 92.6748 -18.6561 14.0006 -18.656 8.4855 51.215 14.0006 51.215 -86.9376 GPRESSAVG: 3316800 92.4577 -17.4782 14.1974 -20.9515 8.54585 50.6268 13.4815 52.9819 -87.3942 TIMING: 3316800 CPU: 9613.22, 0.00289658/step Wall: 9613.22, 0.00289658/step, 1.35431 hours remaining, 209.941406 MB of memory in use. ENERGY: 3316800 707.4696 2131.8893 1957.1275 120.0602 -205931.1720 17845.6451 0.0000 0.0000 34329.4584 -148839.5218 299.8077 -183168.9802 -148746.6585 299.7125 9.1242 41.3504 559273.3946 4.7409 4.5364 PRESSURE: 3317000 -14.352 -173.93 -146.885 -173.929 -152.733 38.7844 -146.885 38.7818 -209.861 GPRESSURE: 3317000 25.4917 -71.8081 -155.361 -169.954 -149.617 27.9383 -81.5814 90.8653 -156.523 PRESSAVG: 3317000 28.0021 -18.1611 -19.3143 -18.161 31.863 -1.66401 -19.3144 -1.66414 -55.8956 GPRESSAVG: 3317000 28.8582 -17.8123 -20.8469 -16.8327 30.5255 0.451646 -19.5495 -4.55142 -55.4461 TIMING: 3317000 CPU: 9613.8, 0.00290318/step Wall: 9613.8, 0.00290318/step, 1.35724 hours remaining, 209.941406 MB of memory in use. ENERGY: 3317000 741.2805 2105.0329 1935.5595 103.6069 -206055.4725 17730.0297 0.0000 0.0000 34371.0665 -149068.8965 300.1711 -183439.9630 -148975.4690 299.2808 -125.6489 -93.5493 559104.5425 1.3232 1.3125 PRESSURE: 3317200 36.7947 155.356 42.7402 155.355 123.38 30.3365 42.7412 30.3374 -105.012 GPRESSURE: 3317200 72.8485 52.3979 -74.2423 195.318 128.376 -20.7146 143.161 6.11912 -52.9857 PRESSAVG: 3317200 49.7165 -28.5899 -78.5289 -28.5899 -6.89928 -16.6801 -78.5288 -16.6801 -52.0743 GPRESSAVG: 3317200 49.3517 -28.9002 -78.9252 -29.0345 -6.94086 -18.216 -75.5797 -14.2928 -51.5224 TIMING: 3317200 CPU: 9614.38, 0.00289739/step Wall: 9614.38, 0.00289739/step, 1.35437 hours remaining, 209.941406 MB of memory in use. ENERGY: 3317200 719.3089 2098.6156 1921.5355 103.2041 -205722.5267 17634.7611 0.0000 0.0000 34054.0889 -149191.0127 297.4028 -183245.1016 -149091.5094 298.7758 18.3878 49.4129 558669.7984 -3.0857 -3.0372 PRESSURE: 3317400 -24.6707 -156.579 85.3415 -156.579 -5.45335 -92.9437 85.3427 -92.9448 68.7643 GPRESSURE: 3317400 -18.1159 -137.138 139.773 -174.264 42.5673 -118.613 31.5526 -151.062 101.963 PRESSAVG: 3317400 21.7692 36.3578 7.22017 36.3579 18.6921 -33.1643 7.22016 -33.1644 -14.3855 GPRESSAVG: 3317400 20.9127 38.1298 7.74375 34.9853 18.566 -31.9653 5.35635 -33.4372 -14.0368 TIMING: 3317400 CPU: 9614.96, 0.00289854/step Wall: 9614.96, 0.00289854/step, 1.35474 hours remaining, 209.941406 MB of memory in use. ENERGY: 3317400 753.5704 2108.4024 1920.5900 114.0605 -206275.9439 17845.5255 0.0000 0.0000 34207.4998 -149326.2952 298.7426 -183533.7950 -149231.1792 298.8911 12.8801 42.1382 556753.1277 8.6919 8.4807 PRESSURE: 3317600 -30.9653 81.9074 -111.522 81.9073 64.6024 65.7079 -111.522 65.7083 -275.791 GPRESSURE: 3317600 -4.36081 113.842 -37.2008 136.987 151.338 63.3478 -75.3092 30.9363 -286.446 PRESSAVG: 3317600 -16.0903 3.39674 4.25165 3.39677 30.674 19.3106 4.25173 19.3106 -49.6386 GPRESSAVG: 3317600 -16.0421 0.864826 5.20905 5.34027 31.0867 16.1334 3.51186 19.0434 -50.0469 TIMING: 3317600 CPU: 9615.54, 0.00291044/step Wall: 9615.54, 0.00291044/step, 1.36015 hours remaining, 209.941406 MB of memory in use. ENERGY: 3317600 783.0668 2038.9860 1918.9405 110.2398 -206310.2511 17855.4341 0.0000 0.0000 34193.3401 -149410.2439 298.6189 -183603.5840 -149317.5394 298.6406 -80.7179 -46.4894 557908.9826 -11.6850 -11.6674 PRESSURE: 3317800 -251.334 56.0361 -33.1963 56.0364 26.5263 48.4638 -33.1965 48.464 -165.484 GPRESSURE: 3317800 -228.338 4.47189 23.4399 49.455 85.9048 -32.0607 -70.462 83.598 -148.052 PRESSAVG: 3317800 66.1864 19.1579 -5.26491 19.1578 27.9973 30.52 -5.26495 30.52 -59.9641 GPRESSAVG: 3317800 66.6012 21.8022 -6.67189 16.4713 28.4662 30.0778 -5.37098 31.7413 -61.0477 TIMING: 3317800 CPU: 9616.13, 0.00294796/step Wall: 9616.13, 0.00294796/step, 1.37752 hours remaining, 209.941406 MB of memory in use. ENERGY: 3317800 792.4280 2037.5795 1928.1623 104.4223 -206152.2647 17776.0615 0.0000 0.0000 34112.6891 -149400.9220 297.9146 -183513.6111 -149302.1793 298.3094 -130.0972 -96.8285 558589.8267 11.4065 11.3399 PRESSURE: 3318000 268.632 65.0057 225 65.005 -20.146 -107.9 224.999 -107.901 59.2909 GPRESSURE: 3318000 298.807 45.5775 221.246 38.6178 17.4507 -117.605 176.373 -202.006 103.071 PRESSAVG: 3318000 8.31568 -38.7212 53.6555 -38.7212 -58.9366 -53.7713 53.6555 -53.7712 7.00929 GPRESSAVG: 3318000 7.57464 -41.0334 51.8702 -35.6208 -58.7704 -51.8397 53.9545 -53.2967 7.3146 TIMING: 3318000 CPU: 9616.72, 0.00291523/step Wall: 9616.72, 0.00291523/step, 1.36206 hours remaining, 209.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3318000 718.8247 2082.9293 1940.5790 119.4767 -206425.8846 17957.7166 0.0000 0.0000 34368.1061 -149238.2523 300.1452 -183606.3584 -149144.5969 299.5291 102.5922 139.7763 555571.1251 -14.5372 -14.6271 PRESSURE: 3318200 -160.467 76.4235 -86.8784 76.4235 -194.706 72.9192 -86.8789 72.9184 -213.605 GPRESSURE: 3318200 -97.2645 47.9914 -128.453 185.43 -113.583 39.9866 -47.5101 135.757 -249.002 PRESSAVG: 3318200 -0.248248 -10.78 -36.6801 -10.78 -43.2456 -33.4345 -36.6801 -33.4346 72.932 GPRESSAVG: 3318200 0.456705 -11.6503 -32.9464 -9.3549 -44.785 -35.7656 -36.4926 -33.0617 72.8289 TIMING: 3318200 CPU: 9617.3, 0.00290604/step Wall: 9617.3, 0.00290604/step, 1.3576 hours remaining, 209.941406 MB of memory in use. ENERGY: 3318200 722.6019 2117.7198 1932.4852 118.5656 -205921.2990 17487.3371 0.0000 0.0000 34406.8226 -149135.7667 300.4833 -183542.5893 -149029.4143 299.6088 -189.5928 -153.2832 557713.9235 9.8127 9.5002 PRESSURE: 3318400 -216.482 -6.99776 -18.5942 -6.99801 -72.3218 54.2557 -18.594 54.2543 157.178 GPRESSURE: 3318400 -130.635 -52.3957 -30.8502 -20.9836 -60.9514 83.359 -99.9133 -61.9344 144.975 PRESSAVG: 3318400 -30.4925 1.01103 27.94 1.01108 13.5339 -3.80298 27.9401 -3.80299 65.0537 GPRESSAVG: 3318400 -30.4418 -0.0595326 25.4188 -0.806938 13.2419 -2.23164 27.3464 -5.29968 64.5177 TIMING: 3318400 CPU: 9617.88, 0.00289515/step Wall: 9617.88, 0.00289515/step, 1.35236 hours remaining, 209.941406 MB of memory in use. ENERGY: 3318400 719.2173 2104.0739 1944.1274 94.6893 -205925.0226 17592.0790 0.0000 0.0000 34568.5025 -148902.3332 301.8953 -183470.8357 -148803.9528 299.9037 -43.8751 -15.5374 557727.1152 16.0317 15.7726 PRESSURE: 3318600 -102.644 -77.6212 9.48786 -77.6218 -72.7066 44.7013 9.48909 44.7023 -151.015 GPRESSURE: 3318600 -95.8835 -59.5252 -91.661 -28.9171 -59.5889 -0.543569 -16.7026 -11.1273 -62.9733 PRESSAVG: 3318600 3.3752 45.5402 11.744 45.5402 -39.1983 15.6152 11.744 15.6151 39.1053 GPRESSAVG: 3318600 2.35662 48.0777 11.4126 44.621 -39.0839 16.0416 11.4275 16.3815 39.7604 TIMING: 3318600 CPU: 9618.45, 0.002867/step Wall: 9618.45, 0.002867/step, 1.33905 hours remaining, 209.941406 MB of memory in use. ENERGY: 3318600 737.1763 2072.6721 1949.9957 114.5185 -205573.0003 17581.5990 0.0000 0.0000 34318.9785 -148798.0603 299.7162 -183117.0388 -148698.3702 299.6103 -108.7884 -72.8152 557818.9754 1.0941 1.0110 PRESSURE: 3318800 24.0303 258.725 72.7549 258.726 -0.688645 -82.6811 72.7553 -82.68 198.312 GPRESSURE: 3318800 127.447 232.961 76.1804 236.076 39.5079 -190.072 96.0959 -33.3463 159.061 PRESSAVG: 3318800 26.771 57.0964 -13.9355 57.0964 -34.6575 15.2952 -13.9356 15.2952 6.19492 GPRESSAVG: 3318800 26.5397 56.5913 -12.8482 57.705 -34.5454 15.0597 -15.5815 14.5668 5.83088 TIMING: 3318800 CPU: 9619.03, 0.00287907/step Wall: 9619.03, 0.00287907/step, 1.34452 hours remaining, 209.941406 MB of memory in use. ENERGY: 3318800 752.4174 2081.2647 1940.9284 115.0307 -206089.3433 17961.1702 0.0000 0.0000 34526.5645 -148711.9673 301.5291 -183238.5318 -148612.5899 300.2274 73.8845 108.6719 558677.0750 -0.5639 -0.7249 PRESSURE: 3319000 -482.218 -80.3445 80.7781 -80.3445 -198.887 108.981 80.7784 108.981 -66.1924 GPRESSURE: 3319000 -420.384 -81.1969 86.1187 -142.537 -182.93 120.738 134.681 127.438 -52.4754 PRESSAVG: 3319000 56.8907 19.8078 52.1189 19.8079 7.04543 59.9874 52.119 59.9874 -52.7226 GPRESSAVG: 3319000 56.711 19.6439 52.029 20.6314 7.11858 59.6672 53.5994 61.0301 -53.0865 TIMING: 3319000 CPU: 9619.61, 0.00290211/step Wall: 9619.61, 0.00290211/step, 1.35513 hours remaining, 209.941406 MB of memory in use. ENERGY: 3319000 741.2715 2132.5360 1934.5685 106.5709 -205280.1498 17240.9847 0.0000 0.0000 34277.2439 -148846.9742 299.3517 -183124.2182 -148742.0624 300.1869 -249.0991 -218.5964 556838.7099 3.7378 3.5810 PRESSURE: 3319200 -45.2239 -31.9671 175.944 -31.9663 -218.302 -67.0864 175.945 -67.0868 -192.335 GPRESSURE: 3319200 9.24722 -7.66804 165.378 -82.4309 -170.571 -69.7082 185.033 -142.137 -198.386 PRESSAVG: 3319200 87.3454 9.01579 -0.315036 9.01581 -32.2769 9.69459 -0.315051 9.69462 -10.9922 GPRESSAVG: 3319200 87.0449 8.3854 -0.939783 7.17258 -32.2115 9.39096 2.09128 9.78871 -11.5058 TIMING: 3319200 CPU: 9620.19, 0.00290065/step Wall: 9620.19, 0.00290065/step, 1.35428 hours remaining, 209.941406 MB of memory in use. ENERGY: 3319200 764.1404 2096.3414 1905.9150 121.3045 -206032.1670 17549.8404 0.0000 0.0000 34560.0007 -149034.6246 301.8211 -183594.6252 -148938.1491 300.3889 -151.9535 -119.9033 556943.0936 14.6921 14.4426 PRESSURE: 3319400 1.66478 74.4359 91.6646 74.4365 -256.429 81.1497 91.6644 81.1494 -118.125 GPRESSURE: 3319400 63.9912 68.2073 181.89 74.2083 -240.594 25.828 10.2133 119.245 -102.486 PRESSAVG: 3319400 28.7211 19.3486 33.3279 19.3486 -33.0988 23.9143 33.3279 23.9143 -58.4314 GPRESSAVG: 3319400 27.9722 18.5153 33.8614 21.0962 -33.167 25.2987 30.4651 22.8395 -57.6207 TIMING: 3319400 CPU: 9620.77, 0.0029063/step Wall: 9620.77, 0.0029063/step, 1.35676 hours remaining, 209.941406 MB of memory in use. ENERGY: 3319400 789.6770 2028.5078 1933.0151 112.0542 -206090.4587 17730.3109 0.0000 0.0000 34388.2026 -149108.6910 300.3207 -183496.8937 -149010.8107 299.9679 -124.2963 -93.0295 557014.0867 -20.9364 -20.9385 PRESSURE: 3319600 -309.224 -147.509 13.3597 -147.509 -298.89 169.577 13.3594 169.576 -239.886 GPRESSURE: 3319600 -279.252 -141.893 -77.428 -46.6799 -300.384 118.096 56.2581 162.281 -182.743 PRESSAVG: 3319600 7.35298 -0.345281 -8.36154 -0.345282 -27.8811 -24.1572 -8.36152 -24.1572 -0.562995 GPRESSAVG: 3319600 8.6646 0.169535 -9.98232 0.74657 -29.1969 -25.1952 -5.78018 -22.5181 -0.74368 TIMING: 3319600 CPU: 9621.35, 0.00289574/step Wall: 9621.35, 0.00289574/step, 1.35167 hours remaining, 209.941406 MB of memory in use. ENERGY: 3319600 762.4674 2012.0996 1949.7572 99.4341 -205690.9811 17390.0803 0.0000 0.0000 34469.5161 -149007.6264 301.0309 -183477.1425 -148913.8687 300.1332 -282.6665 -254.1263 557132.7309 -7.0304 -7.0920 PRESSURE: 3319800 -48.0302 -104.528 -42.3207 -104.528 288.142 128.928 -42.3202 128.928 340.593 GPRESSURE: 3319800 -33.8503 -90.3409 -11.5085 -65.3896 331.427 82.7083 -17.6996 183.456 381.775 PRESSAVG: 3319800 18.0675 36.2833 1.72829 36.2833 -49.7964 -15.3125 1.72828 -15.3124 45.6603 GPRESSAVG: 3319800 18.3683 37.1775 2.66945 34.4236 -49.0499 -16.1572 -0.550334 -15.384 44.7281 TIMING: 3319800 CPU: 9621.93, 0.00290317/step Wall: 9621.93, 0.00290317/step, 1.35497 hours remaining, 209.941406 MB of memory in use. ENERGY: 3319800 724.8153 2044.7586 1950.8090 118.7746 -206298.2193 18075.2892 0.0000 0.0000 34243.6416 -149140.1310 299.0582 -183383.7726 -149040.0126 300.0318 193.5683 226.4505 556304.3221 4.6438 4.6822 PRESSURE: 3320000 40.9424 27.3984 52.8956 27.399 -47.2215 7.17947 52.8953 7.18022 -4.1696 GPRESSURE: 3320000 35.8252 -21.6204 -33.9152 31.0777 -24.2316 6.05335 31.3712 53.6082 78.2871 PRESSAVG: 3320000 -20.4806 32.4102 10.1225 32.4102 10.4499 42.4766 10.1224 42.4765 -32.5066 GPRESSAVG: 3320000 -21.0503 32.0274 11.2461 32.0218 9.95514 44.1342 10.177 42.1889 -31.5952 TIMING: 3320000 CPU: 9622.51, 0.00288778/step Wall: 9622.51, 0.00288778/step, 1.34763 hours remaining, 209.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3320000 732.5519 2079.4942 1936.3204 113.0894 -206136.3243 17837.5795 0.0000 0.0000 34313.2460 -149124.0428 299.6661 -183437.2888 -149032.1485 299.7696 -3.4829 29.9603 558200.7870 -14.1791 -14.2301 PRESSURE: 3320200 -479.368 -20.3693 -48.4166 -20.3695 -195.234 -184.786 -48.4164 -184.786 -181.258 GPRESSURE: 3320200 -412.429 -44.06 -127.308 -33.0127 -199.563 -74.8083 25.5687 -241.243 -144.625 PRESSAVG: 3320200 -16.9993 -12.1605 -41.9944 -12.1604 -8.70918 5.56875 -41.9944 5.56872 -9.71854 GPRESSAVG: 3320200 -19.2674 -14.4423 -42.8345 -10.7277 -6.98543 6.44669 -41.8756 6.1437 -9.92601 TIMING: 3320200 CPU: 9623.08, 0.0028836/step Wall: 9623.08, 0.0028836/step, 1.34552 hours remaining, 209.941406 MB of memory in use. ENERGY: 3320200 760.6249 2065.4233 1946.2573 103.8367 -206024.0559 17602.5699 0.0000 0.0000 34488.4713 -149056.8726 301.1964 -183545.3439 -148958.1521 299.5169 -285.2868 -252.2055 558691.8569 -11.8090 -12.0596 LDB: ============= START OF LOAD BALANCING ============== 9626.47 LDB: ============== END OF LOAD BALANCING =============== 9626.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9626.47 LDB: ============= START OF LOAD BALANCING ============== 9626.76 LDB: Largest compute 4772 load 0.022352 is 18.9% of average load 0.117993 LDB: Average compute 0.001734 is 1.5% of average load 0.117993 LDB: TIME 9626.76 LOAD: AVG 0.117993 MAX 0.17897 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.16 MB LDB: TIME 9626.76 LOAD: AVG 0.117993 MAX 0.17897 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: TIME 9626.76 LOAD: AVG 0.117993 MAX 0.17897 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: ============== END OF LOAD BALANCING =============== 9626.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9626.77 PRESSURE: 3320400 -1.63489 -43.4279 123.598 -43.4271 -184.891 -100.713 123.598 -100.712 -157.84 GPRESSURE: 3320400 -9.97578 -77.0473 136.816 -20.6876 -93.924 -112.231 114.327 -105.152 -150.561 PRESSAVG: 3320400 -32.6405 46.2346 8.24225 46.2345 46.1496 16.7516 8.24225 16.7517 13.8775 GPRESSAVG: 3320400 -30.7029 48.4121 8.63569 46.3875 45.2487 15.2626 9.98522 18.0959 13.1189 TIMING: 3320400 CPU: 9623.67, 0.00295422/step Wall: 9623.67, 0.00295422/step, 1.37831 hours remaining, 211.738281 MB of memory in use. ENERGY: 3320400 749.5595 2076.8549 1931.2644 106.3649 -206051.5395 17775.8297 0.0000 0.0000 34285.6937 -149125.9723 299.4255 -183411.6660 -149028.5199 299.6262 -114.7885 -84.8203 559651.7142 9.1289 9.2216 PRESSURE: 3320600 -91.9413 -132.274 29.19 -132.274 -304.801 -110.1 29.1901 -110.097 123.217 GPRESSURE: 3320600 -46.3453 -97.5855 37.0085 -163.743 -258.563 -54.9819 95.1353 -20.52 138.892 PRESSAVG: 3320600 49.836 39.3535 46.9961 39.3534 6.01505 16.3283 46.996 16.3285 -32.1618 GPRESSAVG: 3320600 50.0308 39.6257 47.7335 37.2205 3.81761 14.7118 45.6358 16.8309 -30.4864 TIMING: 3320600 CPU: 9624.25, 0.00288256/step Wall: 9624.25, 0.00288256/step, 1.34472 hours remaining, 211.738281 MB of memory in use. ENERGY: 3320600 734.2602 2041.2796 1967.7441 115.5205 -205668.3848 17584.0282 0.0000 0.0000 34105.2876 -149120.2646 297.8500 -183225.5522 -149023.1083 299.1932 -91.1749 -55.3388 559772.4882 7.8964 7.7873 PRESSURE: 3320800 5.86113 -62.0081 -84.8835 -62.0086 53.7215 -158.572 -84.8826 -158.572 154.793 GPRESSURE: 3320800 10.7472 -15.0666 -33.294 -68.2871 127.968 -131.926 -70.1107 -137.7 164.937 PRESSAVG: 3320800 -59.2917 -10.4613 -39.6397 -10.4613 9.66099 -25.5412 -39.6397 -25.5412 32.299 GPRESSAVG: 3320800 -59.4202 -9.71551 -40.4064 -9.92894 10.3381 -24.3044 -38.5625 -27.5778 31.5919 TIMING: 3320800 CPU: 9624.83, 0.00288459/step Wall: 9624.83, 0.00288459/step, 1.3455 hours remaining, 211.738281 MB of memory in use. ENERGY: 3320800 729.0814 2052.5677 1957.2047 97.4793 -206222.5236 18001.1098 0.0000 0.0000 34109.2253 -149275.8553 297.8843 -183385.0806 -149180.4931 298.6791 71.4585 101.2175 557703.1272 -5.7772 -5.8301 PRESSURE: 3321000 -112.892 45.9708 -112.065 45.9719 -208.062 -6.99353 -112.066 -6.99244 -151.163 GPRESSURE: 3321000 -121.445 -96.7181 -88.0152 70.8276 -162.596 48.2056 -127.211 -20.5508 -91.829 PRESSAVG: 3321000 -29.3405 -13.1281 -40.1502 -13.1281 -58.5423 -31.9449 -40.1502 -31.945 64.7024 GPRESSAVG: 3321000 -29.8121 -15.0076 -41.0183 -13.5083 -58.4297 -32.5069 -40.9502 -32.5809 66.0014 TIMING: 3321000 CPU: 9625.41, 0.00289422/step Wall: 9625.41, 0.00289422/step, 1.34983 hours remaining, 211.738281 MB of memory in use. ENERGY: 3321000 776.6178 2103.0110 1946.1512 115.0728 -206067.2118 17546.7202 0.0000 0.0000 34219.7452 -149359.8935 298.8495 -183579.6388 -149267.6131 298.3952 -157.3724 -125.2899 556034.7323 -7.7268 -7.4135 PRESSURE: 3321200 -328.796 0.136124 -80.7828 0.135517 -123.014 -0.940782 -80.7832 -0.941569 -56.0268 GPRESSURE: 3321200 -323.028 -46.6446 -1.77706 8.72848 -30.6878 -44.1507 -118.125 42.2871 -50.0643 PRESSAVG: 3321200 -7.75802 28.2367 -10.1778 28.2367 -42.2215 18.255 -10.1779 18.255 103.663 GPRESSAVG: 3321200 -8.10342 28.9434 -9.21395 29.0898 -42.3933 17.8853 -9.38854 19.2154 103.762 TIMING: 3321200 CPU: 9625.99, 0.00290411/step Wall: 9625.99, 0.00290411/step, 1.35428 hours remaining, 211.738281 MB of memory in use. ENERGY: 3321200 746.6590 2080.6536 1948.6448 113.2291 -205997.3680 17568.7541 0.0000 0.0000 34233.2606 -149306.1669 298.9676 -183539.4275 -149210.5072 299.0599 -169.2790 -134.5934 557905.3565 17.8944 17.7552 PRESSURE: 3321400 -77.6306 -209.841 254.997 -209.841 -28.5263 -79.8973 254.997 -79.8965 257.19 GPRESSURE: 3321400 14.0558 -147.296 152.432 -227.168 -22.4559 -73.9109 291.087 -84.1497 257.029 PRESSAVG: 3321400 44.6054 -43.9832 6.50131 -43.9832 -102.145 3.84655 6.50131 3.84676 28.5194 GPRESSAVG: 3321400 44.6323 -44.0217 5.69709 -43.5509 -101.725 3.70881 6.96336 5.20206 28.3125 TIMING: 3321400 CPU: 9626.57, 0.0029074/step Wall: 9626.57, 0.0029074/step, 1.35565 hours remaining, 211.738281 MB of memory in use. ENERGY: 3321400 713.4279 2094.7693 1949.7336 122.0119 -206102.2573 17670.6414 0.0000 0.0000 34092.0525 -149459.6207 297.7344 -183551.6732 -149366.8540 299.0591 50.3445 82.8762 555749.7891 -9.6733 -9.5933 PRESSURE: 3321600 164.934 -160.966 4.15842 -160.966 250.423 123.536 4.15913 123.535 334.744 GPRESSURE: 3321600 203.38 -257.133 -1.18645 -82.2986 299.821 192.875 -82.2571 30.549 347.601 PRESSAVG: 3321600 18.8912 -99.5517 36.9716 -99.5517 2.20723 -23.7636 36.9717 -23.7637 2.3363 GPRESSAVG: 3321600 19.3956 -100.524 37.989 -97.5944 1.493 -23.9908 35.5642 -24.5994 2.32024 TIMING: 3321600 CPU: 9627.15, 0.00289165/step Wall: 9627.15, 0.00289165/step, 1.34815 hours remaining, 211.738281 MB of memory in use. ENERGY: 3321600 723.0804 2083.2449 1922.2010 117.7906 -206981.9381 18274.5650 0.0000 0.0000 34328.7951 -149532.2611 299.8019 -183861.0561 -149439.3612 298.2390 250.0335 283.6006 555760.4570 7.8116 7.7363 PRESSURE: 3321800 73.3531 -29.1067 -17.3554 -29.1083 320.669 -48.7528 -17.3552 -48.7529 247.148 GPRESSURE: 3321800 124.7 48.4055 46.8387 -121.962 325.414 -35.6721 34.2043 -42.0907 281.414 PRESSAVG: 3321800 63.8824 -44.7312 77.2521 -44.7313 -38.0774 12.2324 77.2521 12.2324 -55.9425 GPRESSAVG: 3321800 63.6116 -43.6581 75.4918 -48.25 -37.6742 12.763 79.6259 11.6211 -55.8674 TIMING: 3321800 CPU: 9627.72, 0.00289369/step Wall: 9627.72, 0.00289369/step, 1.34894 hours remaining, 211.738281 MB of memory in use. ENERGY: 3321800 695.7895 2132.6269 1953.3131 115.5584 -206764.1757 18142.2678 0.0000 0.0000 34356.1715 -149368.4486 300.0410 -183724.6201 -149273.1988 298.3064 213.7234 243.8424 555576.3028 -10.0458 -9.9767 PRESSURE: 3322000 -191.209 -53.683 216.1 -53.6831 -127.136 20.6143 216.101 20.6132 -182.224 GPRESSURE: 3322000 -143.221 -99.8154 216.107 -18.4354 -137.396 -68.4894 177.894 92.0978 -117.734 PRESSAVG: 3322000 4.98781 -26.5335 45.4002 -26.5335 -26.7197 -4.28807 45.4002 -4.28808 18.4962 GPRESSAVG: 3322000 5.82429 -27.8556 45.3892 -26.5197 -27.4704 -2.76159 43.4083 -4.55007 17.8889 TIMING: 3322000 CPU: 9628.3, 0.00286465/step Wall: 9628.3, 0.00286465/step, 1.33524 hours remaining, 211.738281 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: 3322000 760.1032 2148.1913 1916.1258 113.4825 -206190.0265 17674.3773 0.0000 0.0000 34293.9537 -149283.7926 299.4976 -183577.7463 -149188.6875 298.7040 -166.8567 -132.7838 556278.1007 -1.0785 -1.2524 PRESSURE: 3322200 119.553 -152.192 -33.6612 -152.193 -74.2985 -61.8696 -33.6606 -61.869 299.215 GPRESSURE: 3322200 162.353 -136.438 52.5862 -95.4226 -49.0248 -16.4264 31.8395 -67.2644 339.29 PRESSAVG: 3322200 41.3078 -11.317 -4.44482 -11.317 -69.4479 8.51472 -4.44474 8.51488 0.232148 GPRESSAVG: 3322200 39.197 -10.2379 -4.47785 -11.5038 -68.1275 7.29393 -3.5286 9.84709 1.16182 TIMING: 3322200 CPU: 9628.87, 0.00286777/step Wall: 9628.87, 0.00286777/step, 1.33654 hours remaining, 211.738281 MB of memory in use. ENERGY: 3322200 728.9976 2109.9347 1945.2469 112.7783 -206552.4868 18071.5329 0.0000 0.0000 34312.2277 -149271.7687 299.6572 -183583.9964 -149177.4239 298.4637 114.8231 150.8727 557340.9934 -9.3027 -9.2562 PRESSURE: 3322400 6.40635 -106.239 -14.9742 -106.239 132.153 -167.798 -14.9756 -167.8 246.577 GPRESSURE: 3322400 17.3105 -111.957 34.3567 -103.267 158.66 -281.322 -121.843 -102.459 309.459 PRESSAVG: 3322400 -26.5118 -4.09582 2.64191 -4.09574 61.5786 4.72402 2.64185 4.72395 -10.8817 GPRESSAVG: 3322400 -26.4941 -3.3944 3.92989 -1.9193 61.8616 3.48793 2.82155 3.74156 -10.7032 TIMING: 3322400 CPU: 9629.44, 0.00286765/step Wall: 9629.44, 0.00286765/step, 1.33633 hours remaining, 211.738281 MB of memory in use. ENERGY: 3322400 762.8903 2079.1307 1962.7670 126.1663 -206442.9893 18053.6165 0.0000 0.0000 34241.3785 -149217.0399 299.0385 -183458.4184 -149122.1334 298.8728 128.3787 161.8101 556215.1836 8.0617 8.2215 PRESSURE: 3322600 130.701 -163.628 134.741 -163.627 214.978 81.2339 134.74 81.2339 75.2958 GPRESSURE: 3322600 201.42 -172.53 162.111 -160.201 212.95 114.145 160.249 23.6616 98.7771 PRESSAVG: 3322600 -38.3484 13.7146 -14.5455 13.7146 33.9947 3.90972 -14.5455 3.90964 -42.8278 GPRESSAVG: 3322600 -37.586 13.1198 -15.1665 13.8272 33.3095 4.72817 -14.1357 4.3281 -43.1114 TIMING: 3322600 CPU: 9630.02, 0.00289496/step Wall: 9630.02, 0.00289496/step, 1.34889 hours remaining, 211.738281 MB of memory in use. ENERGY: 3322600 741.9691 2109.6850 1932.6712 116.0007 -206189.5681 18029.6303 0.0000 0.0000 34068.7915 -149190.8202 297.5312 -183259.6116 -149102.0104 298.0346 140.3250 171.0489 557357.1756 -15.7272 -15.7960 PRESSURE: 3322800 23.562 -25.3316 -91.0433 -25.3321 58.2008 -22.3045 -91.0424 -22.3043 -253.704 GPRESSURE: 3322800 28.5994 -90.9879 4.2003 -28.3588 42.0005 -115.603 -207.232 -104.055 -147.203 PRESSAVG: 3322800 31.5557 -4.12843 -14.5907 -4.12849 -22.5678 6.94374 -14.5908 6.94376 17.6205 GPRESSAVG: 3322800 32.2658 -4.22661 -13.967 -3.87973 -22.6941 6.42688 -15.0245 6.44773 17.4125 TIMING: 3322800 CPU: 9630.6, 0.002869/step Wall: 9630.6, 0.002869/step, 1.33663 hours remaining, 211.738281 MB of memory in use. ENERGY: 3322800 746.1620 2085.9243 1942.7013 107.3572 -206428.0876 17888.5302 0.0000 0.0000 34418.8367 -149238.5759 300.5883 -183657.4126 -149132.9233 298.9857 -57.3138 -25.5345 556999.7580 8.8695 8.9947 PRESSURE: 3323000 -154.596 -59.0076 -106.358 -59.0091 -200.531 -18.4276 -106.36 -18.4265 35.7049 GPRESSURE: 3323000 -80.9121 -51.6857 -83.9891 -122.947 -150.105 53.5453 -98.9061 -1.93648 10.1096 PRESSAVG: 3323000 2.732 -41.3771 4.6782 -41.377 14.7985 31.2685 4.67807 31.2684 -34.5945 GPRESSAVG: 3323000 2.96826 -42.8236 4.42018 -40.6804 15.0401 34.5787 4.34377 32.4629 -34.7338 TIMING: 3323000 CPU: 9631.17, 0.00286305/step Wall: 9631.17, 0.00286305/step, 1.3337 hours remaining, 211.738281 MB of memory in use. ENERGY: 3323000 735.2056 2097.3788 1955.6882 123.9680 -206288.1559 17775.0426 0.0000 0.0000 34302.7460 -149298.1267 299.5744 -183600.8728 -149196.5033 298.9603 -106.4740 -73.6357 558024.1322 -5.6880 -5.5752 PRESSURE: 3323200 127.904 -184.725 7.03229 -184.725 -238.959 -36.6115 7.03287 -36.6127 -221.237 GPRESSURE: 3323200 147.286 -121.134 0.523047 -250.455 -226.294 -15.8148 27.2397 54.688 -169.114 PRESSAVG: 3323200 60.3938 -58.4949 20.3068 -58.4949 -53.3132 22.6375 20.3068 22.6376 11.1486 GPRESSAVG: 3323200 58.6457 -56.3596 21.4545 -61.2052 -52.6428 19.0733 19.2879 23.8108 12.2265 TIMING: 3323200 CPU: 9631.74, 0.00285901/step Wall: 9631.74, 0.00285901/step, 1.33166 hours remaining, 211.738281 MB of memory in use. ENERGY: 3323200 751.9229 2033.7025 1949.6584 116.3643 -206128.3924 17578.2550 0.0000 0.0000 34469.1869 -149229.3024 301.0280 -183698.4893 -149135.0824 299.5420 -110.7641 -82.7072 556348.3642 6.0764 6.0765 PRESSURE: 3323400 257.557 -7.24737 -104.942 -7.24728 160.219 -42.6159 -104.943 -42.6164 14.7263 GPRESSURE: 3323400 275.76 -3.97462 -94.5366 -12.974 212.528 -43.3296 -23.096 28.0333 39.37 PRESSAVG: 3323400 32.0612 -30.1302 -13.1997 -30.1303 -41.5338 9.11215 -13.1996 9.1121 19.7405 GPRESSAVG: 3323400 32.5345 -32.404 -14.0383 -28.5408 -42.5548 10.5131 -12.1395 10.4572 19.7597 TIMING: 3323400 CPU: 9632.32, 0.00287764/step Wall: 9632.32, 0.00287764/step, 1.34018 hours remaining, 211.738281 MB of memory in use. ENERGY: 3323400 768.4500 2100.3625 1942.4485 98.1852 -206251.1441 17949.0957 0.0000 0.0000 34303.4990 -149089.1032 299.5810 -183392.6022 -148990.8694 300.0198 144.1674 175.8860 556310.0571 3.4226 3.2465 PRESSURE: 3323600 -128.512 -29.2349 51.6333 -29.235 -254.755 88.7591 51.6338 88.7578 78.2501 GPRESSURE: 3323600 -53.1879 47.991 89.5381 -57.4968 -229.42 66.207 53.2328 91.8364 67.7908 PRESSAVG: 3323600 -37.5207 -79.6825 31.129 -79.6825 28.3923 -13.5996 31.1289 -13.5995 -19.5455 GPRESSAVG: 3323600 -36.779 -77.9574 31.3419 -81.0108 28.4983 -12.3087 30.0107 -16.05 -20.0602 TIMING: 3323600 CPU: 9632.89, 0.00288108/step Wall: 9632.89, 0.00288108/step, 1.34162 hours remaining, 211.738281 MB of memory in use. ENERGY: 3323600 771.0858 2100.9691 1951.7713 113.8841 -206193.3154 17813.8740 0.0000 0.0000 34325.6675 -149116.0636 299.7746 -183441.7311 -149017.5307 299.6280 -101.6722 -71.6055 558453.2984 -9.5579 -9.4470 PRESSURE: 3323800 -239.708 -5.03617 -54.9618 -5.03767 -36.7551 -45.5414 -54.9633 -45.5409 -138.117 GPRESSURE: 3323800 -191.306 -60.8574 -49.5019 -18.4059 10.9922 -117.255 -129.448 -2.12536 -132.124 PRESSAVG: 3323800 -19.2997 -17.3606 -19.4833 -17.3606 -6.29132 -10.576 -19.4833 -10.576 45.3425 GPRESSAVG: 3323800 -19.5826 -17.5429 -18.488 -16.4948 -4.86104 -12.7894 -17.8676 -11.0098 44.3926 TIMING: 3323800 CPU: 9633.47, 0.00287192/step Wall: 9633.47, 0.00287192/step, 1.3372 hours remaining, 211.738281 MB of memory in use. ENERGY: 3323800 769.7946 2117.6225 1929.8814 117.8222 -206047.5909 17832.5511 0.0000 0.0000 34224.8139 -149055.1052 298.8938 -183279.9191 -148962.7882 299.7142 -138.1933 -104.1460 559441.2092 6.5838 6.6497 PRESSURE: 3324000 -140.332 42.7044 -9.46423 42.706 -173.645 31.5216 -9.46377 31.5205 -10.2448 GPRESSURE: 3324000 -93.3597 -41.9225 -31.6812 31.7951 -92.728 41.0466 -17.7767 -2.52825 -30.6105 PRESSAVG: 3324000 -72.4687 -17.6063 18.8607 -17.6063 5.05641 -32.918 18.8606 -32.918 83.0523 GPRESSAVG: 3324000 -72.7385 -16.8619 19.1358 -17.9171 4.85287 -33.4061 18.4248 -31.2232 84.0371 TIMING: 3324000 CPU: 9634.05, 0.00289054/step Wall: 9634.05, 0.00289054/step, 1.34571 hours remaining, 211.738281 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: 3324000 730.5377 2145.7187 1922.0954 116.4155 -206057.7706 17767.1182 0.0000 0.0000 34214.6086 -149161.2765 298.8047 -183375.8851 -149057.5020 299.7461 -108.0739 -72.2327 558265.8532 5.2133 5.3838 PRESSURE: 3324200 80.8843 20.387 -54.9473 20.3868 -28.2198 -8.15824 -54.9483 -8.15746 187.997 GPRESSURE: 3324200 88.4533 42.339 -176.967 -13.0421 48.4697 14.7228 146.181 -49.2101 210.398 PRESSAVG: 3324200 -10.5054 9.83345 29.4025 9.83351 51.2193 17.2086 29.4025 17.2086 -77.8201 GPRESSAVG: 3324200 -9.90854 8.5913 29.419 10.2427 50.0624 20.0937 30.7202 15.0356 -77.2575 TIMING: 3324200 CPU: 9634.62, 0.00287822/step Wall: 9634.62, 0.00287822/step, 1.33981 hours remaining, 211.738281 MB of memory in use. ENERGY: 3324200 737.2808 2116.6782 1958.4586 114.5821 -206152.6252 17738.8074 0.0000 0.0000 34241.5469 -149245.2713 299.0399 -183486.8182 -149149.5957 299.2944 80.2204 115.7736 557158.0922 -12.3687 -12.3679 LDB: ============= START OF LOAD BALANCING ============== 9638.01 LDB: ============== END OF LOAD BALANCING =============== 9638.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9638.01 LDB: ============= START OF LOAD BALANCING ============== 9638.3 LDB: Largest compute 4792 load 0.022927 is 19.4% of average load 0.117904 LDB: Average compute 0.001735 is 1.5% of average load 0.117904 LDB: TIME 9638.3 LOAD: AVG 0.117904 MAX 0.180975 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.16 MB LDB: TIME 9638.3 LOAD: AVG 0.117904 MAX 0.180975 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.363 MB LDB: TIME 9638.3 LOAD: AVG 0.117904 MAX 0.180975 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.363 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9638.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9638.31 PRESSURE: 3324400 -134.822 -155.534 -60.2395 -155.534 -271.916 -52.1329 -60.2394 -52.1344 -114.613 GPRESSURE: 3324400 -112.294 -203.469 -61.74 -62.5031 -280.858 -177.834 -53.4144 34.1738 -25.0276 PRESSAVG: 3324400 -4.19686 22.4619 -48.2053 22.4619 25.3872 -46.9917 -48.2052 -46.9916 -3.96489 GPRESSAVG: 3324400 -3.39047 23.7115 -49.6827 22.8464 26.2124 -48.0231 -50.5975 -45.0595 -5.57492 TIMING: 3324400 CPU: 9635.21, 0.00294195/step Wall: 9635.21, 0.00294195/step, 1.36931 hours remaining, 211.933594 MB of memory in use. ENERGY: 3324400 746.4433 2109.3190 1958.5874 124.0123 -205956.2618 17563.6138 0.0000 0.0000 34284.9490 -149169.3370 299.4190 -183454.2859 -149067.7473 299.2772 -173.7838 -139.3930 557735.5853 5.7418 5.7490 PRESSURE: 3324600 -52.3827 -50.5571 182.716 -50.5569 29.8385 102.384 182.717 102.384 -375.589 GPRESSURE: 3324600 -43.6092 -62.4187 262.746 31.6093 83.0472 55.3457 84.2061 33.0965 -343.064 PRESSAVG: 3324600 29.8416 -34.7579 -41.384 -34.7579 18.9192 -13.9546 -41.3839 -13.9545 -5.15398 GPRESSAVG: 3324600 29.3412 -34.9721 -40.7936 -34.4389 18.3194 -12.8017 -40.1879 -15.2511 -4.78883 TIMING: 3324600 CPU: 9635.79, 0.0029083/step Wall: 9635.79, 0.0029083/step, 1.35349 hours remaining, 212.128906 MB of memory in use. ENERGY: 3324600 792.5203 2083.0616 1935.6221 115.4018 -206324.3882 17730.9473 0.0000 0.0000 34212.6214 -149454.2137 298.7873 -183666.8350 -149355.8173 298.5375 -132.7110 -101.2087 556759.2884 14.5356 14.2906 PRESSURE: 3324800 -66.004 37.2357 137.548 37.2365 128.944 139.597 137.548 139.597 -21.3087 GPRESSURE: 3324800 2.07955 -6.07112 238.55 -3.45656 102.09 124.603 102.487 221.208 37.3025 PRESSAVG: 3324800 51.2333 16.1567 37.6112 16.1567 -17.0917 28.798 37.6111 28.798 -13.799 GPRESSAVG: 3324800 50.5149 16.7508 36.7348 13.1896 -17.1885 28.3949 36.5686 28.4511 -12.758 TIMING: 3324800 CPU: 9636.38, 0.00291738/step Wall: 9636.38, 0.00291738/step, 1.35756 hours remaining, 212.128906 MB of memory in use. ENERGY: 3324800 776.4512 2111.9071 1947.9036 120.3335 -206201.8221 17884.8257 0.0000 0.0000 33879.9007 -149480.5002 295.8816 -183360.4010 -149386.1770 297.8823 13.8770 47.1574 558318.4435 6.7809 6.8561 PRESSURE: 3325000 77.2909 -21.4717 147.481 -21.4721 -197.466 -66.4095 147.482 -66.4086 107.063 GPRESSURE: 3325000 108.975 24.2462 131.736 -37.9402 -132.936 -8.85067 165.268 -102.622 102.417 PRESSAVG: 3325000 82.9848 -20.657 52.2731 -20.657 -39.2517 12.4734 52.2732 12.4733 -28.4657 GPRESSAVG: 3325000 82.5325 -20.5827 52.4544 -20.6926 -38.4513 11.8962 52.6626 13.7007 -28.7013 TIMING: 3325000 CPU: 9636.96, 0.0029004/step Wall: 9636.96, 0.0029004/step, 1.34949 hours remaining, 212.128906 MB of memory in use. ENERGY: 3325000 725.4745 2048.1570 1966.4080 116.9086 -206327.4494 17926.4526 0.0000 0.0000 34101.6376 -149442.4110 297.8181 -183544.0486 -149345.8364 298.7924 -4.3709 26.1519 558281.7563 5.0891 5.1266 PRESSURE: 3325200 -19.3131 28.1895 5.7147 28.1889 38.2317 -138.359 5.71634 -138.359 -47.4518 GPRESSURE: 3325200 65.9655 105.371 42.6279 -15.8803 91.1927 -137 44.2765 -183.307 -84.2349 PRESSAVG: 3325200 34.7828 7.58746 2.77554 7.58747 41.7204 18.3106 2.77547 18.3105 -43.3372 GPRESSAVG: 3325200 34.4222 7.93107 1.55237 7.81307 42.5875 16.8636 2.34954 18.6045 -43.6699 TIMING: 3325200 CPU: 9637.53, 0.00288774/step Wall: 9637.53, 0.00288774/step, 1.34344 hours remaining, 212.128906 MB of memory in use. ENERGY: 3325200 746.7896 2069.7052 1937.2849 104.9498 -206573.0392 17899.5226 0.0000 0.0000 34463.7375 -149351.0497 300.9804 -183814.7872 -149256.5001 298.9849 -9.5110 24.3078 557769.9254 11.0553 11.1132 PRESSURE: 3325400 -138.239 171.733 -221.087 171.733 43.2408 41.3512 -221.087 41.3518 -63.6031 GPRESSURE: 3325400 -98.3332 197.567 -275.008 182.062 -5.4836 -25.2973 -247.457 120.886 36.5045 PRESSAVG: 3325400 10.0006 9.94437 7.53197 9.94438 35.2343 7.64788 7.53193 7.64787 -80.88 GPRESSAVG: 3325400 10.4986 9.03651 8.62321 12.4888 35.2541 8.7497 8.30142 10.1776 -81.2469 TIMING: 3325400 CPU: 9638.11, 0.00287602/step Wall: 9638.11, 0.00287602/step, 1.33783 hours remaining, 212.128906 MB of memory in use. ENERGY: 3325400 770.4046 2133.6252 1939.0636 91.3864 -206473.7775 17926.7077 0.0000 0.0000 34205.3533 -149407.2366 298.7239 -183612.5899 -149313.0241 298.4485 -52.8671 -22.4374 557163.1592 -11.8817 -11.8314 PRESSURE: 3325600 -253.509 67.9865 14.2177 67.9867 -555.981 40.8261 14.218 40.8244 -308.789 GPRESSURE: 3325600 -286.288 13.4762 28.7516 107.843 -516.164 35.3467 22.0704 -69.9995 -213.022 PRESSAVG: 3325600 15.4045 41.8735 7.53213 41.8734 33.1639 10.8557 7.53212 10.8557 -51.6399 GPRESSAVG: 3325600 15.395 40.5817 7.29278 40.1637 32.869 11.3005 7.82261 8.45492 -52.128 TIMING: 3325600 CPU: 9638.68, 0.00288304/step Wall: 9638.68, 0.00288304/step, 1.34094 hours remaining, 212.128906 MB of memory in use. ENERGY: 3325600 718.2930 2075.1442 1953.0422 127.5733 -205910.2278 17385.9503 0.0000 0.0000 34190.1574 -149460.0673 298.5911 -183650.2247 -149360.1430 298.8060 -372.7596 -338.4914 559674.6610 -1.0239 -1.2880 PRESSURE: 3325800 157.57 -194.731 -58.9134 -194.73 120.628 -17.4481 -58.9115 -17.448 79.0959 GPRESSURE: 3325800 215.151 -131.361 -20.6734 -270.398 167.515 -38.1453 -78.4713 61.9211 63.7477 PRESSAVG: 3325800 -60.8899 -9.28519 -34.7956 -9.2852 -29.0347 26.0043 -34.7957 26.0043 28.1603 GPRESSAVG: 3325800 -60.9153 -7.78324 -33.9741 -8.81097 -29.2068 24.8167 -35.3049 27.6488 27.7837 TIMING: 3325800 CPU: 9639.27, 0.0029111/step Wall: 9639.27, 0.0029111/step, 1.35382 hours remaining, 212.128906 MB of memory in use. ENERGY: 3325800 748.7662 2102.2713 1957.8722 100.9056 -206712.9614 18187.9429 0.0000 0.0000 34086.8484 -149528.3548 297.6889 -183615.2033 -149437.9918 298.2439 119.0979 148.8046 556669.2634 -20.5881 -20.7795 PRESSURE: 3326000 -149.598 18.759 -7.1656 18.7581 -65.4187 -185.621 -7.16605 -185.621 -94.6653 GPRESSURE: 3326000 -172.891 39.5677 -29.3802 68.7961 -44.6267 -183.497 -40.6934 -147.602 -7.7755 PRESSAVG: 3326000 27.5747 -33.967 -22.9333 -33.967 -49.0083 21.6149 -22.9334 21.6149 -10.0634 GPRESSAVG: 3326000 26.5842 -33.9701 -21.543 -34.4447 -48.2449 20.6016 -23.4079 19.9765 -9.5027 TIMING: 3326000 CPU: 9639.85, 0.00289208/step Wall: 9639.85, 0.00289208/step, 1.34482 hours remaining, 212.128906 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: 3326000 727.6080 2054.0246 1952.4805 114.8588 -206169.3245 17780.9479 0.0000 0.0000 34027.7419 -149511.6628 297.1727 -183539.4047 -149418.2993 297.7382 -103.2273 -75.0979 558677.4353 -10.4990 -10.3878 PRESSURE: 3326200 207.435 30.4465 9.75934 30.4478 106.276 168.351 9.75887 168.349 96.4047 GPRESSURE: 3326200 259.364 29.4763 106.322 103.04 140.933 122.863 -27.5591 277.215 120.927 PRESSAVG: 3326200 -37.6107 9.10509 -31.322 9.10508 -4.97139 -56.4238 -31.3219 -56.4239 27.5576 GPRESSAVG: 3326200 -36.2385 8.76751 -34.826 9.4505 -5.56802 -56.6633 -29.1959 -55.8081 27.2452 TIMING: 3326200 CPU: 9640.43, 0.00292094/step Wall: 9640.43, 0.00292094/step, 1.35808 hours remaining, 212.128906 MB of memory in use. ENERGY: 3326200 732.6875 2071.5550 1947.6048 114.1127 -206471.4119 17942.4180 0.0000 0.0000 34198.0751 -149464.9588 298.6603 -183663.0339 -149358.7803 297.8121 136.7052 173.7412 555642.4863 -5.0082 -4.8538 PRESSURE: 3326400 80.0707 -39.1397 -122.314 -39.1404 168.354 116.429 -122.313 116.429 5.23656 GPRESSURE: 3326400 149.291 -7.1609 -64.7978 -35.0668 207.401 66.3039 -95.8487 37.869 11.3523 PRESSAVG: 3326400 -23.1344 -39.8577 11.2458 -39.8577 -5.06381 -7.2616 11.2458 -7.26172 21.5044 GPRESSAVG: 3326400 -24.7287 -40.6337 12.7448 -39.5485 -4.10876 -5.92116 9.84835 -8.32199 21.8522 TIMING: 3326400 CPU: 9641.01, 0.00290265/step Wall: 9641.01, 0.00290265/step, 1.34941 hours remaining, 212.375000 MB of memory in use. ENERGY: 3326400 749.7084 2071.1536 1964.6703 104.8993 -206616.2583 18075.8924 0.0000 0.0000 34262.2172 -149387.7170 299.2205 -183649.9342 -149287.4332 298.6995 84.5537 122.6811 557461.5210 -2.2313 -2.3284 PRESSURE: 3326600 -166.855 47.9066 -30.6441 47.9067 -329.968 170.729 -30.6449 170.728 -169.916 GPRESSURE: 3326600 -124.477 148.682 -25.9919 8.71865 -316.305 130.955 5.84304 221.871 -137.078 PRESSAVG: 3326600 3.17155 -22.2469 -12.2526 -22.2468 -22.8552 -18.5688 -12.2525 -18.5686 10.8543 GPRESSAVG: 3326600 3.34267 -22.9009 -12.5932 -22.7998 -22.5307 -20.3152 -11.5097 -17.8918 10.4032 TIMING: 3326600 CPU: 9641.6, 0.00292942/step Wall: 9641.6, 0.00292942/step, 1.36169 hours remaining, 212.375000 MB of memory in use. ENERGY: 3326600 738.6263 2078.6751 1937.8119 109.7079 -205933.7184 17597.0122 0.0000 0.0000 34066.5137 -149405.3712 297.5113 -183471.8849 -149303.9354 297.9296 -222.2464 -192.6200 558887.0000 -2.9431 -2.9283 PRESSURE: 3326800 -116.653 32.0352 26.0618 32.0341 41.0282 -164.696 26.0613 -164.695 -21.5029 GPRESSURE: 3326800 -97.9261 78.5888 69.8347 60.3242 77.377 -125.994 60.7413 -104.743 20.8125 PRESSAVG: 3326800 26.3512 -12.424 21.3821 -12.424 -12.4085 -3.01989 21.382 -3.01982 -36.7947 GPRESSAVG: 3326800 27.1373 -12.8214 22.1184 -11.7135 -13.1365 -0.379884 20.8214 -3.19326 -37.1514 TIMING: 3326800 CPU: 9642.18, 0.00290466/step Wall: 9642.18, 0.00290466/step, 1.35002 hours remaining, 212.375000 MB of memory in use. ENERGY: 3326800 682.0734 2068.3610 1929.8301 103.3339 -206141.5135 17692.9874 0.0000 0.0000 34209.9856 -149454.9421 298.7643 -183664.9277 -149362.8642 298.7028 -32.3758 0.0878 558785.0324 -7.6173 -7.7169 PRESSURE: 3327000 -133.016 -10.812 76.3807 -10.8135 77.4947 -61.8812 76.3804 -61.881 -57.2812 GPRESSURE: 3327000 -124.964 46.9864 61.6043 -89.7987 146.97 -9.80734 138.433 -138.137 -40.6701 PRESSAVG: 3327000 25.3263 17.1562 -8.09886 17.1562 -37.3461 -47.8804 -8.09887 -47.8803 17.287 GPRESSAVG: 3327000 25.1246 19.8414 -10.141 15.6915 -37.6099 -48.2667 -7.17201 -48.2142 17.8017 TIMING: 3327000 CPU: 9642.76, 0.00291723/step Wall: 9642.76, 0.00291723/step, 1.3557 hours remaining, 212.375000 MB of memory in use. ENERGY: 3327000 740.0798 2078.0156 1936.5227 112.9601 -206713.3397 18004.3048 0.0000 0.0000 34372.3412 -149469.1155 300.1822 -183841.4567 -149381.5482 298.7178 -37.6009 -6.2214 558830.8988 1.7558 1.7721 PRESSURE: 3327200 -69.5385 41.9188 -103.497 41.9186 -427.476 -167.239 -103.497 -167.241 16.0494 GPRESSURE: 3327200 4.81458 27.4576 -201.77 37.205 -400.122 -210.413 -67.9078 -154.278 17.6484 PRESSAVG: 3327200 -20.4068 14.9721 -18.3996 14.972 -25.1615 -49.4557 -18.3996 -49.4557 50.6907 GPRESSAVG: 3327200 -19.6288 13.9585 -17.4458 15.6644 -25.2099 -50.4608 -19.7201 -47.9734 50.4202 TIMING: 3327200 CPU: 9643.34, 0.00289952/step Wall: 9643.34, 0.00289952/step, 1.34731 hours remaining, 212.375000 MB of memory in use. ENERGY: 3327200 722.1361 2045.2387 1945.6377 114.9793 -206207.1352 17713.0898 0.0000 0.0000 34014.0052 -149652.0483 297.0528 -183666.0536 -149556.2938 298.1621 -160.3217 -125.8863 559809.3048 1.7075 1.8605 PRESSURE: 3327400 -74.1751 -24.3373 -64.2797 -24.3375 -57.5717 -90.7936 -64.2807 -90.7951 -218.04 GPRESSURE: 3327400 -75.1428 -29.1518 -38.2232 -22.3508 -18.3914 -38.3248 -100.447 -145.661 -149.689 PRESSAVG: 3327400 37.018 46.8779 -16.5026 46.8779 -55.5644 -35.2608 -16.5025 -35.2607 23.4276 GPRESSAVG: 3327400 36.4018 46.1145 -16.3987 48.4489 -55.3364 -35.2323 -15.4425 -36.8447 23.6091 TIMING: 3327400 CPU: 9643.92, 0.00290171/step Wall: 9643.92, 0.00290171/step, 1.34816 hours remaining, 212.375000 MB of memory in use. ENERGY: 3327400 722.1866 2088.1669 1939.6675 108.9142 -205990.6350 17506.4054 0.0000 0.0000 34126.7860 -149498.5084 298.0377 -183625.2944 -149399.0038 298.1530 -116.5955 -81.0744 557564.9284 1.6271 1.5582 PRESSURE: 3327600 -279.197 -133.722 -148.029 -133.721 -125.817 19.5111 -148.029 19.5101 -91.4156 GPRESSURE: 3327600 -237.036 -102.788 -146.286 -113.198 -65.2693 -15.3949 -55.5113 67.63 -81.8106 PRESSAVG: 3327600 22.1514 39.2203 -46.7074 39.2204 30.838 1.92781 -46.7075 1.9278 -18.4544 GPRESSAVG: 3327600 22.3426 41.9287 -46.4303 37.0469 30.8128 3.44088 -46.1137 4.15729 -18.5802 TIMING: 3327600 CPU: 9644.5, 0.00291366/step Wall: 9644.5, 0.00291366/step, 1.35356 hours remaining, 212.375000 MB of memory in use. ENERGY: 3327600 777.7970 2086.1721 1989.6781 125.9357 -206244.5569 17709.3114 0.0000 0.0000 34111.8997 -149443.7629 297.9077 -183555.6626 -149344.9374 298.7622 -165.4767 -128.0385 558060.5905 11.5117 11.5250 PRESSURE: 3327800 -2.64378 95.399 41.9972 95.3983 -129.71 129.169 41.9975 129.169 115.194 GPRESSURE: 3327800 89.8452 84.2744 10.4167 113.485 -90.2573 129.487 73.6482 135.093 79.283 PRESSAVG: 3327800 23.6744 2.17419 26.8361 2.17421 -57.5301 -4.4353 26.8362 -4.4352 31.8886 GPRESSAVG: 3327800 24.9766 0.191545 27.0299 2.64425 -58.1961 -5.31089 24.3217 -7.48002 31.2249 TIMING: 3327800 CPU: 9645.08, 0.00289186/step Wall: 9645.08, 0.00289186/step, 1.34327 hours remaining, 212.375000 MB of memory in use. ENERGY: 3327800 737.0787 2054.8344 1924.5005 115.8678 -206402.6221 17852.1012 0.0000 0.0000 34350.4625 -149367.7770 299.9911 -183718.2395 -149270.7117 298.2445 -5.7199 26.2903 556758.2962 -0.6557 -0.6649 PRESSURE: 3328000 6.00088 -36.9623 23.4991 -36.9621 -293.26 158.367 23.4978 158.366 -164.407 GPRESSURE: 3328000 53.1601 18.8999 45.4408 -68.3899 -254.717 197.898 9.93113 184.165 -161.851 PRESSAVG: 3328000 13.6954 5.89725 -139.93 5.89729 16.8436 35.8951 -139.93 35.895 36.7431 GPRESSAVG: 3328000 12.2557 7.3374 -139.582 4.75153 17.2616 35.8187 -139.254 37.3874 38.1879 TIMING: 3328000 CPU: 9645.66, 0.00288863/step Wall: 9645.66, 0.00288863/step, 1.34161 hours remaining, 212.375000 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: 3328000 729.3039 2013.4659 1973.2850 114.2075 -205889.2965 17576.6130 0.0000 0.0000 34069.3314 -149413.0899 297.5359 -183482.4213 -149315.6526 299.2114 -150.5555 -121.1361 558704.7263 22.4274 22.5684 PRESSURE: 3328200 -183.847 -109.471 -83.333 -109.47 -283.831 -14.0038 -83.3331 -14.0059 -87.8685 GPRESSURE: 3328200 -155.28 -85.899 -71.8911 -85.9019 -228.168 17.1076 -56.2747 -75.4401 -63.9996 PRESSAVG: 3328200 58.5405 -28.4082 -14.853 -28.4081 -101.728 -28.5898 -14.853 -28.5898 34.6154 GPRESSAVG: 3328200 60.4562 -27.3876 -14.6527 -28.3703 -101.455 -29.381 -12.7484 -28.3725 32.3656 TIMING: 3328200 CPU: 9646.24, 0.00288271/step Wall: 9646.24, 0.00288271/step, 1.3387 hours remaining, 212.375000 MB of memory in use. ENERGY: 3328200 755.9227 2110.0420 1962.5517 101.6006 -206289.1033 17711.0324 0.0000 0.0000 34204.1443 -149443.8096 298.7133 -183647.9539 -149352.2608 298.9899 -185.1824 -149.1492 558419.1288 -2.8572 -2.8777 LDB: ============= START OF LOAD BALANCING ============== 9649.62 LDB: ============== END OF LOAD BALANCING =============== 9649.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9649.62 LDB: ============= START OF LOAD BALANCING ============== 9649.91 LDB: Largest compute 4792 load 0.023054 is 19.5% of average load 0.117952 LDB: Average compute 0.001735 is 1.5% of average load 0.117952 LDB: TIME 9649.91 LOAD: AVG 0.117952 MAX 0.179608 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.688 MB LDB: TIME 9649.91 LOAD: AVG 0.117952 MAX 0.179608 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.691 MB LDB: TIME 9649.91 LOAD: AVG 0.117952 MAX 0.179608 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9649.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9649.92 PRESSURE: 3328400 -96.9121 -9.06 78.4972 -9.05885 -230.17 45.932 78.4964 45.9329 -50.8979 GPRESSURE: 3328400 -44.0806 -60.6701 117.768 -17.6713 -166.762 7.98234 -30.7163 -12.9865 -68.691 PRESSAVG: 3328400 -39.3514 -19.7277 -19.8431 -19.7277 10.0357 1.67678 -19.8432 1.67684 23.0129 GPRESSAVG: 3328400 -41.152 -22.5314 -19.7876 -18.3175 10.238 2.57921 -20.1729 0.0136929 24.5181 TIMING: 3328400 CPU: 9646.82, 0.00293039/step Wall: 9646.82, 0.00293039/step, 1.36068 hours remaining, 211.480469 MB of memory in use. ENERGY: 3328400 766.5839 2047.0422 1964.5985 109.8827 -206010.1779 17672.9983 0.0000 0.0000 34139.4057 -149309.6666 298.1479 -183449.0722 -149215.2327 298.8510 -125.9933 -93.1779 557201.3790 -2.1009 -2.1319 PRESSURE: 3328600 142.136 -124.034 163.98 -124.034 26.9837 104.252 163.98 104.25 301.643 GPRESSURE: 3328600 189.309 -149.424 168.581 -115.242 101.739 55.9954 171.927 152.845 273.369 PRESSAVG: 3328600 21.0886 -25.1292 -19.5772 -25.1293 -58.7854 -20.7672 -19.5772 -20.7671 38.5082 GPRESSAVG: 3328600 21.4356 -24.3984 -21.0456 -26.5251 -58.5339 -20.6717 -18.9477 -21.5634 38.4859 TIMING: 3328600 CPU: 9647.4, 0.00287979/step Wall: 9647.4, 0.00287979/step, 1.33702 hours remaining, 211.550781 MB of memory in use. ENERGY: 3328600 721.3510 2050.3818 1938.5044 104.7331 -206195.9286 18021.3422 0.0000 0.0000 34134.0891 -149225.5270 298.1015 -183359.6160 -149132.4680 298.7427 156.9209 188.1387 556783.7981 0.2705 0.4626 PRESSURE: 3328800 -229.291 -158.773 17.1509 -158.772 -77.4215 -133.012 17.1509 -133.011 145.638 GPRESSURE: 3328800 -229.752 -153.533 63.6745 -176.801 31.5905 -105.383 119.149 -210.649 151.236 PRESSAVG: 3328800 -22.0597 -66.1192 -13.8571 -66.1192 4.21053 -10.7793 -13.857 -10.7792 25.5378 GPRESSAVG: 3328800 -22.3436 -65.6885 -12.8596 -64.9901 4.09079 -11.238 -14.1365 -9.15172 25.8317 TIMING: 3328800 CPU: 9647.98, 0.00289642/step Wall: 9647.98, 0.00289642/step, 1.34458 hours remaining, 211.808594 MB of memory in use. ENERGY: 3328800 729.9213 2027.9647 1949.4483 98.6749 -206035.4005 17720.3263 0.0000 0.0000 34069.1243 -149439.9407 297.5341 -183509.0650 -149342.5129 298.5459 -53.6914 -15.6421 557033.1767 2.5629 2.5263 PRESSURE: 3329000 -135.751 -65.4437 -27.251 -65.4441 -172.856 -99.7301 -27.2522 -99.7301 -117.26 GPRESSURE: 3329000 -69.3186 -78.3527 56.5989 -51.7787 -164.417 -114.997 -15.7671 -50.0284 -93.3314 PRESSAVG: 3329000 69.0603 -56.5744 23.6325 -56.5745 -66.2642 12.881 23.6325 12.8811 11.4813 GPRESSAVG: 3329000 70.4919 -58.2679 25.9045 -56.1447 -66.4404 13.3766 22.7473 13.7868 10.6656 TIMING: 3329000 CPU: 9648.56, 0.00292188/step Wall: 9648.56, 0.00292188/step, 1.35624 hours remaining, 211.808594 MB of memory in use. ENERGY: 3329000 732.2159 2036.7438 1933.7894 102.7679 -205945.9698 17460.4949 0.0000 0.0000 34258.6193 -149421.3385 299.1890 -183679.9578 -149319.7847 297.9485 -141.9559 -109.0225 556560.7638 4.7591 4.9057 PRESSURE: 3329200 -186.027 -58.4346 47.2725 -58.432 -77.2163 8.48804 47.273 8.48845 192.675 GPRESSURE: 3329200 -185.577 -61.0521 66.1398 36.7055 -57.7907 -10.8217 -22.8812 -27.3303 279.178 PRESSAVG: 3329200 -9.00224 -35.4667 -8.12152 -35.4668 -43.1191 -37.2254 -8.12141 -37.2253 39.5906 GPRESSAVG: 3329200 -9.48489 -35.0484 -9.68332 -35.5656 -42.4717 -37.4844 -8.63744 -37.8362 39.7669 TIMING: 3329200 CPU: 9649.15, 0.00292159/step Wall: 9649.15, 0.00292159/step, 1.35594 hours remaining, 211.808594 MB of memory in use. ENERGY: 3329200 700.1972 2038.7476 1958.0701 121.3840 -206050.0092 17682.1125 0.0000 0.0000 34139.2945 -149410.2032 298.1470 -183549.4977 -149312.8459 298.5453 -23.5229 11.9368 557713.9159 -4.1769 -4.0632 PRESSURE: 3329400 -49.5464 40.2485 47.2967 40.2498 -70.9626 31.8734 47.2967 31.8718 75.891 GPRESSURE: 3329400 7.60709 -26.5458 80.605 -1.6125 -46.0394 96.926 72.4952 -77.9865 93.4601 PRESSAVG: 3329400 -2.78818 -23.2843 -44.2246 -23.2844 -4.3549 -52.9092 -44.2246 -52.909 45.2059 GPRESSAVG: 3329400 -1.99617 -22.8181 -42.388 -25.5445 -5.7762 -53.172 -43.9811 -52.5107 45.7829 TIMING: 3329400 CPU: 9649.72, 0.00289264/step Wall: 9649.72, 0.00289264/step, 1.34235 hours remaining, 211.808594 MB of memory in use. ENERGY: 3329400 718.8037 2052.9818 1952.4708 115.0673 -206020.8179 17558.5334 0.0000 0.0000 34144.1847 -149478.7761 298.1897 -183622.9608 -149375.2522 298.3521 -14.8727 18.3426 556751.2418 12.6876 12.6702 PRESSURE: 3329600 32.2055 -65.1775 151.738 -65.1761 26.9429 -27.9241 151.737 -27.9222 232.286 GPRESSURE: 3329600 11.1771 -15.3369 114.822 -55.7737 149.856 -66.7197 126.734 -36.2442 238.064 PRESSAVG: 3329600 -27.4498 -9.21151 -59.7451 -9.21149 -4.16464 -77.0403 -59.745 -77.0403 65.3026 GPRESSAVG: 3329600 -26.8802 -9.07031 -59.7798 -8.09608 -4.42987 -76.0109 -60.0838 -76.298 65.1487 TIMING: 3329600 CPU: 9650.3, 0.00288325/step Wall: 9650.3, 0.00288325/step, 1.33783 hours remaining, 211.808594 MB of memory in use. ENERGY: 3329600 746.8767 2035.3455 1949.1981 103.9379 -206465.0489 18016.8196 0.0000 0.0000 34142.8735 -149469.9976 298.1782 -183612.8711 -149372.3467 298.8766 97.1449 133.0323 556116.1996 11.2294 11.2795 PRESSURE: 3329800 -269.328 0.852089 -125.958 0.852527 -24.7044 101.755 -125.957 101.754 -34.318 GPRESSURE: 3329800 -192.127 -4.08033 -145.995 -72.0743 -50.8613 142.301 -140.463 112.405 4.49416 PRESSAVG: 3329800 -54.9983 -33.9514 -34.9208 -33.9514 8.0136 -37.9644 -34.9208 -37.9644 42.4891 GPRESSAVG: 3329800 -55.2924 -34.4968 -37.9867 -34.8982 8.32744 -39.3662 -33.7518 -38.7161 42.3038 TIMING: 3329800 CPU: 9650.88, 0.00287448/step Wall: 9650.88, 0.00287448/step, 1.3336 hours remaining, 211.808594 MB of memory in use. ENERGY: 3329800 769.3555 2101.7685 1953.2991 116.7685 -206535.6752 17769.9974 0.0000 0.0000 34388.9547 -149435.5314 300.3273 -183824.4861 -149337.5074 298.8938 -109.4502 -79.4979 557041.0263 -1.4985 -1.5537 PRESSURE: 3330000 103.649 -31.1244 -24.3974 -31.124 -202.727 25.7336 -24.3983 25.7333 -268.039 GPRESSURE: 3330000 86.7801 7.84734 27.9543 32.4681 -173.347 68.7945 -2.07016 22.0816 -168.945 PRESSAVG: 3330000 21.9431 3.33018 -3.7602 3.33014 41.6305 -1.19686 -3.76027 -1.1968 -65.3557 GPRESSAVG: 3330000 21.7833 3.91652 -2.49041 4.49748 41.3451 1.4049 -5.53051 -2.23878 -64.7423 TIMING: 3330000 CPU: 9651.45, 0.00287853/step Wall: 9651.45, 0.00287853/step, 1.33532 hours remaining, 211.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3330000 756.4887 2030.5546 1909.1875 119.0986 -206138.6579 17580.9632 0.0000 0.0000 34295.7931 -149446.5722 299.5137 -183742.3653 -149353.8102 298.7782 -122.3723 -85.1708 556104.0505 -0.5940 -0.5380 PRESSURE: 3330200 -133.687 -105.186 77.0766 -105.186 5.67854 49.7451 77.077 49.7449 84.1722 GPRESSURE: 3330200 -92.6133 -130.729 108.664 -90.7785 -0.893281 -32.0741 30.2761 47.3489 156.313 PRESSAVG: 3330200 -60.9331 0.892723 -48.44 0.892628 42.2629 -0.566248 -48.4399 -0.56614 29.3605 GPRESSAVG: 3330200 -61.6479 -1.17413 -49.4857 2.56498 42.6625 -2.24769 -48.7031 3.10642 29.9154 TIMING: 3330200 CPU: 9652.03, 0.00289769/step Wall: 9652.03, 0.00289769/step, 1.34405 hours remaining, 211.820312 MB of memory in use. ENERGY: 3330200 749.3751 2130.8450 1934.1109 110.1949 -206366.3623 17852.5790 0.0000 0.0000 34166.7801 -149422.4773 298.3870 -183589.2574 -149323.7718 298.6888 -14.6122 20.9356 557519.9116 3.5634 3.6433 PRESSURE: 3330400 -29.3452 -127.667 119.254 -127.666 28.7019 84.0476 119.254 84.0463 -83.2884 GPRESSURE: 3330400 -17.5293 -49.4085 60.1959 -105.175 49.8769 80.2968 145.306 65.1308 -26.7991 PRESSAVG: 3330400 -7.19574 16.7223 -31.1669 16.7224 3.309 -4.63931 -31.1669 -4.63931 -6.53624 GPRESSAVG: 3330400 -7.22702 18.1966 -30.2678 14.2161 3.63588 -5.08478 -30.704 -7.57247 -6.74062 TIMING: 3330400 CPU: 9652.6, 0.00286576/step Wall: 9652.6, 0.00286576/step, 1.32908 hours remaining, 211.820312 MB of memory in use. ENERGY: 3330400 735.7354 2044.2605 1939.4181 112.1832 -205861.4779 17674.4589 0.0000 0.0000 34244.6256 -149110.7962 299.0668 -183355.4218 -149017.0532 299.0868 -27.9772 1.8495 558169.0311 -3.4743 -3.4439 PRESSURE: 3330600 309.561 90.1233 -67.4657 90.1222 -21.7996 48.3935 -67.4668 48.3927 266.822 GPRESSURE: 3330600 376.992 105.574 -35.0765 104.403 -18.0596 111.56 -134.823 18.1949 290.074 PRESSAVG: 3330600 -35.2352 -19.4145 -19.0204 -19.4146 -5.29564 78.3251 -19.0204 78.3251 54.4801 GPRESSAVG: 3330600 -35.0178 -19.947 -20.096 -19.5167 -4.80355 78.2778 -18.7344 78.9978 54.0111 TIMING: 3330600 CPU: 9653.18, 0.00288464/step Wall: 9653.18, 0.00288464/step, 1.33767 hours remaining, 211.820312 MB of memory in use. ENERGY: 3330600 725.1583 2167.2946 1950.0988 107.1254 -206601.9435 18001.3308 0.0000 0.0000 34405.1252 -149245.8105 300.4685 -183650.9357 -149143.7206 299.8223 184.8611 216.3357 555561.9923 4.6498 4.7299 PRESSURE: 3330800 -25.0413 36.4982 35.0276 36.4986 44.5481 87.487 35.0287 87.4869 3.64964 GPRESSURE: 3330800 24.6556 30.6073 -4.70866 -8.8619 99.636 49.3746 6.78011 96.9788 -10.3071 PRESSAVG: 3330800 -30.7012 23.8666 2.43288 23.8664 -10.866 37.9058 2.43292 37.9058 16.9995 GPRESSAVG: 3330800 -29.936 24.2173 3.04136 24.7945 -10.7817 37.6901 1.41468 37.8741 16.1682 TIMING: 3330800 CPU: 9653.76, 0.0028742/step Wall: 9653.76, 0.0028742/step, 1.33267 hours remaining, 211.820312 MB of memory in use. ENERGY: 3330800 740.4773 2067.0505 1952.8130 124.2055 -206087.2647 17799.5093 0.0000 0.0000 34112.2188 -149290.9904 297.9105 -183403.2092 -149197.5010 299.0261 7.7188 37.9948 557697.1012 -8.1893 -8.1832 PRESSURE: 3331000 102.477 184.872 179.967 184.872 66.5282 37.3683 179.968 37.3674 -16.8705 GPRESSURE: 3331000 104.898 144.783 151.017 230.859 117.127 74.3238 173.315 13.8859 31.1376 PRESSAVG: 3331000 -14.3373 37.249 -37.139 37.2489 3.8871 23.9196 -37.139 23.9197 10.0011 GPRESSAVG: 3331000 -14.2743 36.9589 -38.6005 37.4807 2.84033 24.1469 -37.0849 23.6694 11.0735 TIMING: 3331000 CPU: 9654.33, 0.00287652/step Wall: 9654.33, 0.00287652/step, 1.33358 hours remaining, 211.820312 MB of memory in use. ENERGY: 3331000 733.8366 2054.1576 1963.3242 113.2261 -206327.2032 17880.4331 0.0000 0.0000 34394.7178 -149187.5077 300.3776 -183582.2255 -149086.7701 299.5628 50.7116 84.3874 556510.2881 -0.1497 -0.1201 PRESSURE: 3331200 -62.7083 -20.1694 -26.8435 -20.1689 95.3473 -44.1053 -26.8436 -44.1065 -91.7078 GPRESSURE: 3331200 -3.20108 -98.5455 -66.0069 -6.54708 67.8807 -28.0115 41.5346 -110.094 -25.471 PRESSAVG: 3331200 66.6141 -15.7507 -52.7723 -15.7508 -9.13042 -1.17483 -52.7724 -1.17487 -70.3166 GPRESSAVG: 3331200 65.8692 -17.011 -51.9369 -16.0618 -8.79021 -0.578735 -52.8868 -0.163262 -70.33 TIMING: 3331200 CPU: 9654.91, 0.00289166/step Wall: 9654.91, 0.00289166/step, 1.34044 hours remaining, 211.820312 MB of memory in use. ENERGY: 3331200 765.7727 2085.6828 1943.9491 103.0626 -206111.4001 17764.4754 0.0000 0.0000 34287.2800 -149161.1774 299.4393 -183448.4574 -149071.9189 299.3367 -19.6896 13.0695 557579.3360 -4.2776 -4.4170 PRESSURE: 3331400 -99.214 50.1225 -8.3942 50.1228 -101.4 -18.1402 -8.39353 -18.1398 -41.7461 GPRESSURE: 3331400 -33.7534 29.6985 -100.225 -7.12826 -65.5488 -67.4816 47.602 -47.3257 -50.2628 PRESSAVG: 3331400 -1.2611 8.69778 -15.4566 8.69779 104.78 -29.4393 -15.4566 -29.4393 -100.044 GPRESSAVG: 3331400 -1.48903 9.72164 -15.4392 8.7497 104.328 -29.9316 -15.0502 -29.7208 -99.5067 TIMING: 3331400 CPU: 9655.49, 0.00288944/step Wall: 9655.49, 0.00288944/step, 1.33925 hours remaining, 211.820312 MB of memory in use. ENERGY: 3331400 730.9485 2116.0556 1947.2353 106.4543 -206099.7362 17602.8578 0.0000 0.0000 34486.7861 -149109.3986 301.1817 -183596.1847 -149009.1744 299.6912 -80.7865 -49.8550 556019.1247 1.1583 1.1109 PRESSURE: 3331600 113.99 138.834 -223.575 138.835 -62.7625 -8.51664 -223.574 -8.51713 290.185 GPRESSURE: 3331600 142.87 212.138 -277.924 83.0071 -5.94796 -68.0965 -201.651 -7.55372 297.056 PRESSAVG: 3331600 22.7504 6.63082 -50.6933 6.63078 2.61682 -35.6889 -50.6933 -35.6888 -8.72384 GPRESSAVG: 3331600 22.4624 7.13757 -50.0726 6.488 3.22591 -33.3058 -50.8195 -35.3238 -9.51296 TIMING: 3331600 CPU: 9656.07, 0.00289072/step Wall: 9656.07, 0.00289072/step, 1.33969 hours remaining, 211.820312 MB of memory in use. ENERGY: 3331600 746.6594 2093.8184 1969.3579 117.7482 -206205.4639 17792.0371 0.0000 0.0000 34346.4908 -149139.3520 299.9564 -183485.8428 -149035.0778 299.7163 113.8041 144.6591 557120.9511 5.5478 5.3918 PRESSURE: 3331800 23.54 -101.147 25.3204 -101.148 -304.69 -54.8231 25.3214 -54.8235 -144.46 GPRESSURE: 3331800 112.759 9.91632 45.7345 -134.011 -292.974 -68.7916 -13.4967 -13.1963 -137.74 PRESSAVG: 3331800 13.0961 1.91352 -41.2812 1.91346 -14.6668 -43.8854 -41.2811 -43.8853 -51.9964 GPRESSAVG: 3331800 14.198 0.76023 -40.4093 3.4236 -14.7473 -45.2446 -43.3528 -44.9278 -52.5788 TIMING: 3331800 CPU: 9656.64, 0.00289052/step Wall: 9656.64, 0.00289052/step, 1.33944 hours remaining, 211.820312 MB of memory in use. ENERGY: 3331800 735.4576 2116.3703 1965.3434 112.7083 -205909.0538 17535.5694 0.0000 0.0000 34352.8854 -149090.7194 300.0123 -183443.6048 -148988.6983 299.1908 -141.8699 -105.9853 559028.5201 -17.8557 -17.7093 PRESSURE: 3332000 122.601 -62.2029 257.924 -62.2022 -113.213 54.1158 257.926 54.116 -125.748 GPRESSURE: 3332000 125.362 -177.658 232.04 -74.4143 -138.221 89.918 219.704 -85.4231 -6.6973 PRESSAVG: 3332000 33.8947 1.31897 39.163 1.31901 18.6656 -19.0099 39.163 -19.01 2.59583 GPRESSAVG: 3332000 33.6668 1.4874 37.6766 0.785337 16.6091 -19.7812 40.1025 -16.9648 5.11307 TIMING: 3332000 CPU: 9657.23, 0.00291575/step Wall: 9657.23, 0.00291574/step, 1.35096 hours remaining, 211.820312 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: 3332000 764.6426 2112.2571 1946.5088 116.2619 -206477.6930 18038.9273 0.0000 0.0000 34282.9456 -149216.1497 299.4015 -183499.0952 -149114.9323 300.1147 -38.7869 -6.5189 557609.5893 18.3854 18.4630 PRESSURE: 3332200 -2.42434 139.47 -49.4739 139.471 -75.7047 -200.518 -49.4737 -200.516 -276.119 GPRESSURE: 3332200 -20.7564 81.6059 -79.301 174.74 3.01354 -171.08 -43.9273 -94.595 -249.256 PRESSAVG: 3332200 -30.4479 21.6532 13.9444 21.6532 -47.407 24.2896 13.9444 24.2896 78.988 GPRESSAVG: 3332200 -31.6654 22.6595 13.1118 17.9986 -46.3531 24.7117 14.7228 22.5208 78.4691 TIMING: 3332200 CPU: 9657.8, 0.00287505/step Wall: 9657.8, 0.00287505/step, 1.33195 hours remaining, 211.820312 MB of memory in use. ENERGY: 3332200 748.6470 2161.9635 1973.2150 117.3572 -205941.4776 17596.3574 0.0000 0.0000 34227.0471 -149116.8905 298.9133 -183343.9376 -149022.8790 299.2487 -118.0825 -88.9995 558214.0965 0.3777 0.1502 LDB: ============= START OF LOAD BALANCING ============== 9661.19 LDB: ============== END OF LOAD BALANCING =============== 9661.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9661.19 LDB: ============= START OF LOAD BALANCING ============== 9661.48 LDB: Largest compute 4792 load 0.022226 is 18.8% of average load 0.117952 LDB: Average compute 0.001737 is 1.5% of average load 0.117952 LDB: TIME 9661.49 LOAD: AVG 0.117952 MAX 0.181028 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.004 MB LDB: TIME 9661.49 LOAD: AVG 0.117952 MAX 0.181028 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.004 MB LDB: TIME 9661.49 LOAD: AVG 0.117952 MAX 0.181028 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.004 MB LDB: ============== END OF LOAD BALANCING =============== 9661.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9661.49 PRESSURE: 3332400 -9.70457 -36.3614 -157.939 -36.3612 -236.886 188.711 -157.938 188.711 -293.803 GPRESSURE: 3332400 33.86 8.0221 -108.091 -153.285 -185.068 176.86 -177.73 115.964 -295.202 PRESSAVG: 3332400 33.1461 73.4309 -7.26935 73.4309 -15.3712 -29.6483 -7.26927 -29.6484 -19.0152 GPRESSAVG: 3332400 34.4057 72.5723 -6.89584 76.77 -16.5061 -29.1663 -7.08325 -29.8153 -19.8569 TIMING: 3332400 CPU: 9658.4, 0.00297485/step Wall: 9658.4, 0.00297485/step, 1.37802 hours remaining, 212.082031 MB of memory in use. ENERGY: 3332400 760.0476 2128.4599 1965.9805 120.0903 -206195.1818 17712.6085 0.0000 0.0000 34414.6263 -149093.3687 300.5515 -183507.9950 -148998.2954 300.4929 -180.1313 -148.8034 558074.2258 -0.4135 -0.6525 PRESSURE: 3332600 -415.297 50.0573 -113.156 50.056 111.231 -51.4252 -113.156 -51.4229 -29.4102 GPRESSURE: 3332600 -353.835 61.2609 -48.4959 2.81404 166.863 -103.358 -148.177 -34.2769 -50.9825 PRESSAVG: 3332600 -12.9802 -2.79189 -25.7337 -2.79181 11.6822 -10.1382 -25.7337 -10.1383 11.6239 GPRESSAVG: 3332600 -14.3038 -2.6632 -25.0837 -3.45528 12.5968 -9.91023 -26.5287 -9.25991 12.3493 TIMING: 3332600 CPU: 9658.98, 0.00292867/step Wall: 9658.98, 0.00292867/step, 1.35646 hours remaining, 212.082031 MB of memory in use. ENERGY: 3332600 750.2271 2081.4123 1962.6571 127.9794 -205890.3899 17700.5325 0.0000 0.0000 34187.1276 -149080.4540 298.5647 -183267.5816 -148984.4286 299.8572 -111.1588 -79.3182 558272.0799 3.4420 3.5474 PRESSURE: 3332800 5.24536 22.7357 -152.918 22.7362 -25.8864 40.1321 -152.916 40.1314 180.269 GPRESSURE: 3332800 18.2204 -22.388 -159.075 9.07024 58.474 0.812156 -149.255 114.432 175.403 PRESSAVG: 3332800 -24.9118 -11.9169 -44.1617 -11.9169 38.0407 8.52557 -44.1618 8.5255 5.1209 GPRESSAVG: 3332800 -22.7694 -12.7261 -43.1759 -12.9628 37.3487 7.73838 -42.9246 8.52052 3.57917 TIMING: 3332800 CPU: 9659.57, 0.00291594/step Wall: 9659.57, 0.00291594/step, 1.35041 hours remaining, 212.082031 MB of memory in use. ENERGY: 3332800 750.9619 2080.2223 1963.2780 109.3124 -205965.5576 17663.1607 0.0000 0.0000 34316.4433 -149082.1790 299.6940 -183398.6223 -148983.1269 299.6673 53.2094 84.0325 556322.4582 6.0833 6.0528 PRESSURE: 3333000 17.4069 102.446 25.4522 102.447 -52.3972 40.3661 25.4525 40.367 -321.883 GPRESSURE: 3333000 -3.38608 112.621 111.102 65.7407 -9.84064 15.8565 -27.8793 64.1876 -242.781 PRESSAVG: 3333000 -58.2659 -1.50792 -36.2049 -1.50792 -2.10461 32.2362 -36.2049 32.2362 13.1473 GPRESSAVG: 3333000 -59.7311 -0.941247 -36.519 0.0964272 -1.77964 32.1361 -34.985 33.3846 13.2928 TIMING: 3333000 CPU: 9660.15, 0.00290774/step Wall: 9660.15, 0.00290774/step, 1.34644 hours remaining, 212.082031 MB of memory in use. ENERGY: 3333000 736.6404 2142.1263 1953.5814 108.0417 -206134.4538 17822.2494 0.0000 0.0000 34271.5173 -149100.2973 299.3017 -183371.8145 -149005.1003 299.4712 -118.9579 -85.3358 557793.4928 -15.7411 -16.0726 PRESSURE: 3333200 156.24 79.6759 128.703 79.6762 -12.7736 -59.0666 128.703 -59.0666 -88.2385 GPRESSURE: 3333200 177.682 125.934 108.281 106.747 15.1759 -78.4442 61.3599 41.3977 -43.4159 PRESSAVG: 3333200 64.8656 39.1464 26.763 39.1464 -1.16348 -9.73117 26.763 -9.73119 -26.5754 GPRESSAVG: 3333200 65.0207 38.3938 27.0049 40.6327 -0.893976 -8.93028 23.6009 -10.9831 -27.0898 TIMING: 3333200 CPU: 9660.73, 0.00289108/step Wall: 9660.73, 0.00289108/step, 1.33857 hours remaining, 212.082031 MB of memory in use. ENERGY: 3333200 742.2911 2088.8514 1949.2227 122.9614 -205996.6812 17655.6721 0.0000 0.0000 34456.6067 -148981.0757 300.9181 -183437.6825 -148882.4205 299.6194 18.4094 49.8140 556741.9305 12.3756 12.3456 PRESSURE: 3333400 35.6672 -40.5904 -146.552 -40.5908 49.3923 -197.095 -146.553 -197.096 33.8572 GPRESSURE: 3333400 43.4506 -24.7501 -174.255 9.65364 59.2565 -235.163 -180.228 -164.992 110.263 PRESSAVG: 3333400 -75.119 23.3794 -29.0138 23.3793 11.6979 -19.4358 -29.0137 -19.4358 -2.63598 GPRESSAVG: 3333400 -75.1302 25.1968 -31.7174 19.99 11.6036 -19.8216 -25.7309 -18.1916 -2.35716 TIMING: 3333400 CPU: 9661.3, 0.00289261/step Wall: 9661.3, 0.00289261/step, 1.33912 hours remaining, 212.082031 MB of memory in use. ENERGY: 3333400 772.4591 2089.4600 1946.3180 122.4077 -206193.4010 17834.9620 0.0000 0.0000 34395.5342 -149032.2598 300.3848 -183427.7940 -148936.9167 299.8202 39.6389 70.9899 556163.6085 -22.0190 -21.9613 PRESSURE: 3333600 -108.712 56.5446 83.0767 56.5439 139.569 -5.60096 83.0778 -5.60145 93.8497 GPRESSURE: 3333600 -85.3598 -48.1038 57.4555 41.7073 181.915 -88.0787 86.9585 105.806 126.151 PRESSAVG: 3333600 36.4363 -52.3827 -28.0692 -52.3827 9.36586 -12.9577 -28.0693 -12.9577 -50.0844 GPRESSAVG: 3333600 36.4818 -52.5905 -26.2482 -52.0001 9.92831 -16.093 -29.6718 -12.3998 -49.9912 TIMING: 3333600 CPU: 9661.88, 0.002876/step Wall: 9661.88, 0.002876/step, 1.33127 hours remaining, 212.082031 MB of memory in use. ENERGY: 3333600 733.1497 2107.7161 1936.7061 114.6706 -206318.5416 17869.1027 0.0000 0.0000 34375.2481 -149181.9484 300.2076 -183557.1965 -149080.6374 299.6328 41.5690 74.2355 558221.0463 -1.4274 -1.1937 PRESSURE: 3333800 100.512 -141.312 -246.13 -141.312 64.1873 -86.3526 -246.128 -86.3533 237.184 GPRESSURE: 3333800 121.466 -167.696 -111.074 -78.2585 135.745 -113.401 -249.54 1.09602 254.228 PRESSAVG: 3333800 77.4135 28.2418 -42.3129 28.2417 -56.0576 43.3815 -42.3129 43.3815 3.22212 GPRESSAVG: 3333800 78.3559 27.922 -43.7415 28.4649 -56.015 45.1157 -41.4269 41.0261 2.22392 TIMING: 3333800 CPU: 9662.46, 0.00290013/step Wall: 9662.46, 0.00290013/step, 1.34228 hours remaining, 212.082031 MB of memory in use. ENERGY: 3333800 732.2790 2098.4818 1964.8678 103.2749 -206205.8603 17970.8415 0.0000 0.0000 34345.2888 -148990.8266 299.9459 -183336.1154 -148902.4136 299.1338 133.9611 170.4797 556633.0389 8.1927 8.1883 PRESSURE: 3334000 185.209 27.0202 -175.329 27.0198 84.3065 -100.932 -175.329 -100.933 62.3186 GPRESSURE: 3334000 212.389 9.74822 -58.8015 20.6893 59.7436 -76.0746 -228.059 -73.8753 147.117 PRESSAVG: 3334000 34.2793 36.7298 -66.0845 36.7298 2.03147 9.72033 -66.0846 9.72047 -14.7672 GPRESSAVG: 3334000 34.0234 36.4378 -62.2867 37.9132 1.43598 11.1136 -67.4137 11.3003 -13.6481 TIMING: 3334000 CPU: 9663.04, 0.0028827/step Wall: 9663.04, 0.0028827/step, 1.33405 hours remaining, 212.277344 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: 3334000 781.8676 2159.3060 1970.6631 117.4652 -206039.4051 17757.6204 0.0000 0.0000 34290.0853 -148962.3975 299.4638 -183252.4828 -148869.3631 299.6621 110.6113 139.7501 557277.6600 7.1812 7.2704 PRESSURE: 3334200 -132.771 -19.3343 -53.9894 -19.3349 88.9745 -114.607 -53.9915 -114.609 -156.844 GPRESSURE: 3334200 -74.9103 -31.204 -130.434 -72.7528 38.5317 -149.24 -31.8821 -58.634 -61.2733 PRESSAVG: 3334200 64.1148 -4.77654 -63.8641 -4.7765 -67.5406 -64.156 -63.8642 -64.1561 59.3771 GPRESSAVG: 3334200 64.9471 -1.65932 -67.9466 -5.79923 -67.7803 -65.0895 -60.9674 -62.8377 59.0562 TIMING: 3334200 CPU: 9663.61, 0.00288738/step Wall: 9663.61, 0.00288738/step, 1.33605 hours remaining, 212.277344 MB of memory in use. ENERGY: 3334200 755.6698 2146.5475 1939.3998 123.2726 -206041.0483 17742.9919 0.0000 0.0000 34419.0948 -148914.0719 300.5905 -183333.1667 -148814.0208 299.8276 -66.8801 -32.5506 557829.8980 18.6504 18.7410 PRESSURE: 3334400 -327.057 107.556 -4.49597 107.557 -466.445 -57.9714 -4.49552 -57.971 -150.911 GPRESSURE: 3334400 -337.547 100.904 20.9125 104.898 -439.965 -36.184 -70.853 -72.8466 -84.1754 PRESSAVG: 3334400 38.1293 -18.0939 -32.0431 -18.0939 -41.6913 1.5262 -32.0431 1.52619 -19.3716 GPRESSAVG: 3334400 37.1882 -20.633 -31.3167 -17.9153 -40.6147 1.34142 -32.2498 -0.564179 -19.5764 TIMING: 3334400 CPU: 9664.19, 0.00288873/step Wall: 9664.19, 0.00288873/step, 1.33652 hours remaining, 212.277344 MB of memory in use. ENERGY: 3334400 810.8790 2111.8977 1932.2529 119.9151 -205310.7785 17213.5543 0.0000 0.0000 34253.6892 -148868.5903 299.1460 -183122.2794 -148769.6199 300.5690 -314.8045 -287.2290 558280.6432 -7.6445 -7.6676 PRESSURE: 3334600 190.938 9.61804 -4.02627 9.61799 -29.2658 -61.7485 -4.02479 -61.7484 -433.433 GPRESSURE: 3334600 242.778 21.1933 -94.8883 -12.5776 -2.72343 -88.7046 14.8194 -93.9063 -407.637 PRESSAVG: 3334600 28.3486 -36.6888 20.4631 -36.6888 -41.2585 5.73691 20.4633 5.73687 -23.7791 GPRESSAVG: 3334600 28.3758 -35.8066 17.7343 -36.9545 -41.7396 7.78702 19.2501 4.93641 -22.9979 TIMING: 3334600 CPU: 9664.77, 0.00291125/step Wall: 9664.77, 0.00291125/step, 1.34678 hours remaining, 212.277344 MB of memory in use. ENERGY: 3334600 769.3134 2114.2568 1949.0920 111.6103 -206143.5882 17720.6798 0.0000 0.0000 34524.1936 -148954.4424 301.5084 -183478.6359 -148857.2020 299.5044 -90.5869 -55.8609 558202.4190 -12.2297 -12.1206 PRESSURE: 3334800 -73.5792 -80.2875 -79.7016 -80.2884 191.911 -222.448 -79.701 -222.448 53.6139 GPRESSURE: 3334800 9.6407 -86.878 -193.498 -52.6722 213.124 -242.739 -22.4707 -210.834 45.107 PRESSAVG: 3334800 15.4604 -20.4934 30.0445 -20.4934 -13.2175 28.7252 30.0445 28.7252 -27.4105 GPRESSAVG: 3334800 14.9945 -21.1638 31.2129 -19.4394 -11.7159 28.408 31.709 29.3412 -28.1384 TIMING: 3334800 CPU: 9665.35, 0.00289815/step Wall: 9665.35, 0.00289815/step, 1.34055 hours remaining, 212.277344 MB of memory in use. ENERGY: 3334800 774.2605 2071.1767 1947.6237 109.5879 -206105.7272 17911.5204 0.0000 0.0000 34172.5968 -149118.9612 298.4378 -183291.5580 -149016.0831 299.7578 57.3153 89.2907 556884.2293 -8.3892 -8.2866 PRESSURE: 3335000 -132.891 102.497 63.9521 102.498 224.135 -7.59969 63.951 -7.60053 -103.275 GPRESSURE: 3335000 -95.4973 130.771 101.995 116.323 239.428 -12.4036 -49.2796 43.5772 -64.7117 PRESSAVG: 3335000 10.3286 0.0279155 37.5941 0.0278332 52.6868 -11.235 37.5942 -11.2351 -56.472 GPRESSAVG: 3335000 10.851 -0.406659 38.3451 0.655604 51.8962 -12.5085 35.0786 -11.1147 -55.3837 TIMING: 3335000 CPU: 9665.93, 0.00286728/step Wall: 9665.93, 0.00286728/step, 1.32612 hours remaining, 212.277344 MB of memory in use. ENERGY: 3335000 768.0910 2108.3481 1928.0975 107.9670 -206008.9159 17726.4106 0.0000 0.0000 34234.4711 -149135.5306 298.9782 -183370.0017 -149040.1016 299.3150 -4.0104 26.4062 558113.3664 2.1811 2.4545 PRESSURE: 3335200 129.755 15.9659 97.9259 15.9673 -94.5055 -11.5762 97.927 -11.5748 -82.6068 GPRESSURE: 3335200 97.8493 -100.3 64.0584 35.5573 -61.4399 -19.1015 158.748 -22.125 10.3546 PRESSAVG: 3335200 50.0343 14.6426 -11.5011 14.6426 37.7989 -2.79511 -11.501 -2.79517 -42.9315 GPRESSAVG: 3335200 51.3801 14.7966 -11.9674 14.7724 36.4971 -4.01072 -9.71532 -2.53868 -42.8207 TIMING: 3335200 CPU: 9666.51, 0.00289305/step Wall: 9666.51, 0.00289305/step, 1.33787 hours remaining, 212.277344 MB of memory in use. ENERGY: 3335200 765.9093 2147.1243 1963.9116 127.4372 -206350.0733 17947.2481 0.0000 0.0000 34368.2876 -149030.1552 300.1468 -183398.4428 -148943.8258 299.8218 -15.7859 15.5880 557160.3945 14.9672 15.0188 PRESSURE: 3335400 -3.11392 34.3594 10.6173 34.3607 184.403 164.05 10.619 164.051 -357.898 GPRESSURE: 3335400 -1.98731 54.2569 53.1414 47.1897 259.743 206.242 -70.0187 205.542 -336.622 PRESSAVG: 3335400 -12.5804 -23.4804 18.02 -23.4804 59.152 13.4239 18.02 13.4237 -24.378 GPRESSAVG: 3335400 -14.0502 -23.4308 18.7711 -23.6072 60.3137 13.3185 18.0464 15.0106 -24.544 TIMING: 3335400 CPU: 9667.08, 0.00289379/step Wall: 9667.08, 0.00289379/step, 1.33806 hours remaining, 212.277344 MB of memory in use. ENERGY: 3335400 779.3681 2135.4713 1941.3716 123.3870 -206209.4622 17838.4457 0.0000 0.0000 34153.7639 -149237.6544 298.2733 -183391.4184 -149141.3152 298.9997 -58.8696 -26.2887 557829.2714 7.3978 7.2398 PRESSURE: 3335600 163.216 87.6694 -27.8589 87.6698 -39.534 -54.7914 -27.8589 -54.7904 -88.3311 GPRESSURE: 3335600 173.974 64.7521 -37.2598 70.6926 31.8669 -43.8195 25.2925 20.3285 -57.3484 PRESSAVG: 3335600 3.53007 -39.4422 3.17742 -39.4422 -15.3269 20.1279 3.17762 20.128 -31.1162 GPRESSAVG: 3335600 4.29742 -37.1721 4.54027 -42.5472 -15.8044 19.3102 4.26876 18.912 -31.7234 TIMING: 3335600 CPU: 9667.66, 0.00287308/step Wall: 9667.66, 0.00287308/step, 1.32832 hours remaining, 212.277344 MB of memory in use. ENERGY: 3335600 758.4758 2109.5387 1909.3083 128.4139 -206473.0047 17985.6235 0.0000 0.0000 34184.7850 -149396.8595 298.5442 -183581.6446 -149296.5342 298.3768 11.7838 49.4975 557819.3113 -14.3043 -14.4101 PRESSURE: 3335800 52.3764 -2.63063 131.28 -2.63154 124.534 -65.5343 131.279 -65.5357 -171.913 GPRESSURE: 3335800 127.917 67.9479 187.62 -57.7842 136.473 -34.1101 129.377 -82.2972 -162.959 PRESSAVG: 3335800 57.644 -31.3198 4.3425 -31.3199 15.7851 -18.7391 4.34243 -18.739 -22.321 GPRESSAVG: 3335800 56.4889 -31.426 3.47847 -30.4312 16.4143 -16.086 4.38096 -20.7514 -21.8068 TIMING: 3335800 CPU: 9668.24, 0.00288577/step Wall: 9668.24, 0.00288577/step, 1.33403 hours remaining, 212.277344 MB of memory in use. ENERGY: 3335800 715.9343 2157.4261 1946.9860 104.6592 -206373.8332 17862.7726 0.0000 0.0000 34034.6275 -149551.4274 297.2329 -183586.0549 -149454.3324 298.8384 1.6658 33.8103 556733.6766 17.0361 17.0321 PRESSURE: 3336000 -12.7976 -69.3787 -31.1027 -69.3784 -102.617 -17.1342 -31.1019 -17.1352 -38.1802 GPRESSURE: 3336000 9.43821 -85.6951 1.76642 -98.4133 -80.7871 36.755 -85.4222 -80.3569 12.842 PRESSAVG: 3336000 50.6659 13.6166 -19.8516 13.6166 0.127978 -29.2893 -19.8516 -29.2893 -37.1069 GPRESSAVG: 3336000 51.014 12.2749 -17.8898 13.4185 0.177563 -30.4308 -22.7434 -28.2124 -38.1714 TIMING: 3336000 CPU: 9668.81, 0.002868/step Wall: 9668.81, 0.002868/step, 1.32565 hours remaining, 212.277344 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: 3336000 751.7972 2075.1452 1958.3616 112.5071 -206186.0112 17801.8742 0.0000 0.0000 34091.9450 -149394.3808 297.7334 -183486.3259 -149301.2160 298.2312 -51.1982 -19.5023 557951.3799 4.5623 4.3401 PRESSURE: 3336200 6.27738 123.393 -91.254 123.394 -58.8563 -6.16149 -91.2543 -6.16174 -159.065 GPRESSURE: 3336200 74.1014 191.813 -19.9176 46.0669 -53.5967 -14.3415 -149.07 9.58795 -130.596 PRESSAVG: 3336200 91.4816 -10.405 -4.99706 -10.405 -15.6769 -15.3171 -4.997 -15.3172 -42.3564 GPRESSAVG: 3336200 91.9485 -12.0725 -6.06836 -7.49501 -16.5137 -17.5906 -5.44319 -13.9951 -41.9841 TIMING: 3336200 CPU: 9669.39, 0.00288638/step Wall: 9669.39, 0.00288638/step, 1.33399 hours remaining, 212.277344 MB of memory in use. ENERGY: 3336200 788.2191 2078.4165 1941.6205 122.9340 -206211.7851 17725.8337 0.0000 0.0000 34082.0892 -149472.6722 297.6474 -183554.7614 -149378.8658 298.6834 -70.5480 -36.6970 556145.4330 11.1494 11.1503 LDB: ============= START OF LOAD BALANCING ============== 9672.77 LDB: ============== END OF LOAD BALANCING =============== 9672.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9672.77 LDB: ============= START OF LOAD BALANCING ============== 9673.06 LDB: Largest compute 4792 load 0.022590 is 19.1% of average load 0.117990 LDB: Average compute 0.001726 is 1.5% of average load 0.117990 LDB: TIME 9673.06 LOAD: AVG 0.11799 MAX 0.179077 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.348 MB LDB: TIME 9673.06 LOAD: AVG 0.11799 MAX 0.179077 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.348 MB LDB: TIME 9673.06 LOAD: AVG 0.11799 MAX 0.179077 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9673.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9673.07 PRESSURE: 3336400 -68.5038 -59.1008 -104.055 -59.1014 -7.07648 -108.998 -104.055 -108.997 21.9539 GPRESSURE: 3336400 -85.4413 -64.8506 -107.467 -17.585 44.1702 -99.1666 -108.452 -81.008 91.5501 PRESSAVG: 3336400 8.15276 -44.4067 1.10611 -44.4068 16.3425 -7.72229 1.10618 -7.72236 -54.4219 GPRESSAVG: 3336400 8.21319 -42.8612 1.2511 -45.0222 16.4881 -7.24276 2.49642 -6.72096 -54.5705 TIMING: 3336400 CPU: 9669.97, 0.00293878/step Wall: 9669.97, 0.00293878/step, 1.35804 hours remaining, 210.148438 MB of memory in use. ENERGY: 3336400 737.2683 2101.2344 1971.1581 122.1996 -205927.0948 17616.6148 0.0000 0.0000 34075.2642 -149303.3553 297.5878 -183378.6195 -149208.5406 298.8264 -17.8755 16.7597 555234.6784 -9.9756 -9.9564 PRESSURE: 3336600 -45.2096 -147.54 43.4552 -147.54 82.3533 -56.4945 43.454 -56.4958 199.965 GPRESSURE: 3336600 -20.2345 -143.229 35.5497 -203.928 123.909 -104.808 9.43467 -63.7367 220.985 PRESSAVG: 3336600 82.0686 -52.8185 -11.0218 -52.8184 -28.7757 -22.6865 -11.0219 -22.6864 -79.8547 GPRESSAVG: 3336600 80.8586 -52.0366 -12.0488 -53.7243 -27.3621 -21.2492 -13.342 -25.0901 -79.7853 TIMING: 3336600 CPU: 9670.56, 0.0029079/step Wall: 9670.56, 0.0029079/step, 1.34361 hours remaining, 210.148438 MB of memory in use. ENERGY: 3336600 732.4526 2166.0676 1953.9320 121.1285 -206449.5640 17799.5498 0.0000 0.0000 34495.4847 -149180.9489 301.2576 -183676.4335 -149092.2156 299.4045 79.0361 108.2197 555277.4492 -8.8539 -8.7629 PRESSURE: 3336800 -88.3645 181.238 -7.92552 181.239 -60.543 122.615 -7.92702 122.614 -25.9132 GPRESSURE: 3336800 -25.5533 144.996 -28.1106 127.109 -20.8097 176.593 -41.2592 94.4739 -26.5789 PRESSAVG: 3336800 -22.2248 33.6606 19.1106 33.6606 34.6633 5.41818 19.1106 5.41818 15.8852 GPRESSAVG: 3336800 -20.6402 31.9853 19.9584 34.9948 34.3322 5.37001 19.9647 4.69622 14.953 TIMING: 3336800 CPU: 9671.13, 0.00289453/step Wall: 9671.13, 0.00289453/step, 1.33727 hours remaining, 210.148438 MB of memory in use. ENERGY: 3336800 746.7181 2125.4186 1922.3488 119.1393 -206380.3717 17913.2886 0.0000 0.0000 34231.0769 -149322.3814 298.9485 -183553.4582 -149223.7880 299.2751 -58.2736 -24.3140 556364.9616 9.4413 9.5483 PRESSURE: 3337000 -299.456 -14.3851 -8.54848 -14.3839 -83.9046 162.478 -8.54829 162.478 -3.79616 GPRESSURE: 3337000 -217.508 25.7915 -117.279 31.3694 -62.9518 108.299 94.5269 159.75 -13.6115 PRESSAVG: 3337000 10.7516 17.0943 32.9622 17.0944 19.8927 12.9096 32.9623 12.9097 -38.0595 GPRESSAVG: 3337000 9.9618 18.0983 31.9812 16.1738 18.7997 12.2388 35.4024 13.5013 -37.211 TIMING: 3337000 CPU: 9671.71, 0.00289933/step Wall: 9671.71, 0.00289933/step, 1.33933 hours remaining, 210.148438 MB of memory in use. ENERGY: 3337000 804.3396 2077.7839 1967.9812 109.5900 -206272.8805 17672.0487 0.0000 0.0000 34225.8371 -149415.3002 298.9027 -183641.1373 -149318.0064 299.1540 -129.0522 -98.0237 555944.7229 -2.4717 -2.8165 PRESSURE: 3337200 -179.681 124.802 37.5078 124.802 -93.4202 -10.9387 37.5077 -10.9376 -70.2826 GPRESSURE: 3337200 -144.48 56.841 59.1873 124.411 -34.5235 -17.3951 -9.81088 -73.4709 -53.4589 PRESSAVG: 3337200 -65.9002 33.1583 3.10945 33.1582 41.5289 50.211 3.10936 50.211 4.21955 GPRESSAVG: 3337200 -65.5579 31.9022 3.11569 32.2853 41.447 50.9071 2.01595 49.7454 3.83097 TIMING: 3337200 CPU: 9672.3, 0.00290786/step Wall: 9672.3, 0.00290786/step, 1.34311 hours remaining, 210.148438 MB of memory in use. ENERGY: 3337200 757.9310 2066.9992 1932.7874 123.0104 -206095.4982 17521.8129 0.0000 0.0000 34381.2845 -149311.6729 300.2603 -183692.9574 -149218.1856 299.3849 -114.4612 -77.4873 556418.2319 -6.7173 -6.7600 PRESSURE: 3337400 -1.52802 -62.4389 96.1742 -62.4403 56.3968 62.1479 96.175 62.1473 -55.7531 GPRESSURE: 3337400 49.1734 -141.869 105.975 -86.7873 74.5079 27.406 95.7999 77.1736 -24.5065 PRESSAVG: 3337400 57.9632 3.69433 -0.535158 3.69424 -66.2312 27.5278 -0.535214 27.5277 -20.1216 GPRESSAVG: 3337400 57.7516 3.81703 -0.528563 3.92813 -67.1296 28.4768 -0.734517 27.1884 -19.2805 TIMING: 3337400 CPU: 9672.88, 0.00292347/step Wall: 9672.88, 0.00292347/step, 1.35016 hours remaining, 210.148438 MB of memory in use. ENERGY: 3337400 774.4424 2097.7336 1958.1047 119.8202 -206218.8589 17803.2337 0.0000 0.0000 34178.2562 -149287.2681 298.4872 -183465.5243 -149193.0248 299.1384 -0.2948 33.0583 556767.0844 -9.4632 -9.5528 PRESSURE: 3337600 -101.55 -123.512 19.1627 -123.513 -95.2592 -46.6554 19.1624 -46.6561 -58.8383 GPRESSURE: 3337600 -81.8814 -189.271 -16.0535 -61.4079 -16.5032 -58.1487 16.5851 21.7819 -60.7198 PRESSAVG: 3337600 29.8734 -19.0124 -6.81578 -19.0125 -58.9234 18.8291 -6.81582 18.8291 41.9744 GPRESSAVG: 3337600 27.8436 -19.4164 -7.14036 -18.7353 -56.3786 18.3687 -6.47898 18.9148 41.8207 TIMING: 3337600 CPU: 9673.46, 0.0029095/step Wall: 9673.46, 0.0029095/step, 1.34354 hours remaining, 210.148438 MB of memory in use. ENERGY: 3337600 738.7941 2089.6015 1979.7179 116.5067 -206046.9511 17746.7453 0.0000 0.0000 34220.8790 -149154.7066 298.8594 -183375.5856 -149056.5890 299.7272 -85.2157 -53.0348 557975.0015 4.3081 4.4286 PRESSURE: 3337800 -86.1827 114.32 16.6967 114.32 155.289 -126.352 16.6981 -126.352 -277.606 GPRESSURE: 3337800 -29.766 100.278 42.6113 88.2289 167.907 -33.8676 30.7033 -165.109 -255.131 PRESSAVG: 3337800 83.6361 -15.1681 -65.5436 -15.168 2.94744 -30.948 -65.5436 -30.9481 -41.3075 GPRESSAVG: 3337800 83.8546 -13.4354 -64.9251 -13.4157 2.6057 -32.4416 -65.5274 -29.757 -41.543 TIMING: 3337800 CPU: 9674.04, 0.00289517/step Wall: 9674.04, 0.00289517/step, 1.33676 hours remaining, 210.148438 MB of memory in use. ENERGY: 3337800 746.3167 2073.4878 1907.5298 116.2001 -205672.1210 17567.1651 0.0000 0.0000 34244.5529 -149016.8685 299.0662 -183261.4214 -148922.7268 300.2505 -69.4998 -38.9966 558974.3855 15.0920 14.9724 PRESSURE: 3338000 80.4394 28.7826 146.498 28.7824 -59.6924 49.0487 146.497 49.0488 180.104 GPRESSURE: 3338000 94.4896 -5.78366 136.179 108.628 -57.9556 58.4426 122.622 39.6608 265.711 PRESSAVG: 3338000 25.2556 -0.899627 18.0066 -0.899528 -10.1934 -20.5275 18.0065 -20.5275 -61.6141 GPRESSAVG: 3338000 27.4448 -0.274799 17.2321 -3.59741 -11.9505 -22.1174 16.9291 -18.6501 -61.6271 TIMING: 3338000 CPU: 9674.62, 0.00288514/step Wall: 9674.62, 0.00288514/step, 1.33197 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3338000 711.3602 2117.8256 1957.9150 128.5059 -206593.0118 17998.6065 0.0000 0.0000 34503.9490 -149174.8496 301.3316 -183678.7986 -149072.6249 300.2539 66.9503 100.7485 557611.4985 -15.5173 -15.3776 PRESSURE: 3338200 253.951 31.6176 -105.786 31.6184 -79.023 127.379 -105.786 127.38 -309.355 GPRESSURE: 3338200 268.156 22.1171 -156.145 116.996 -23.8439 85.4208 -118.24 125.155 -269.669 PRESSAVG: 3338200 65.4929 1.58614 31.6762 1.58614 -92.5902 -30.1165 31.6761 -30.1166 58.6222 GPRESSAVG: 3338200 64.7354 0.531584 29.9391 3.14151 -91.8028 -28.2078 34.9243 -32.599 58.3408 TIMING: 3338200 CPU: 9675.2, 0.00289749/step Wall: 9675.2, 0.00289749/step, 1.33751 hours remaining, 210.148438 MB of memory in use. ENERGY: 3338200 763.0504 2154.9374 1961.3182 111.4655 -205845.2922 17467.8971 0.0000 0.0000 34307.7504 -149078.8731 299.6181 -183386.6236 -148988.4147 300.1246 -44.8087 -8.4523 556927.1631 10.5083 10.4245 PRESSURE: 3338400 -241.421 -128.749 145.007 -128.749 -275.516 44.8533 145.007 44.853 103.728 GPRESSURE: 3338400 -174.624 -153.732 205.407 -55.1748 -238.981 -31.7198 84.2478 138.369 86.3461 PRESSAVG: 3338400 18.3472 3.92013 27.7207 3.92008 31.5138 -13.7462 27.7207 -13.7463 -5.64227 GPRESSAVG: 3338400 17.8753 1.03033 30.6143 7.11708 31.4048 -12.6272 23.8897 -12.7491 -5.50918 TIMING: 3338400 CPU: 9675.78, 0.0029203/step Wall: 9675.78, 0.0029203/step, 1.34788 hours remaining, 210.148438 MB of memory in use. ENERGY: 3338400 791.8145 2131.0516 1968.5281 122.8773 -206102.4094 17710.2139 0.0000 0.0000 34412.3850 -148965.5391 300.5319 -183377.9241 -148873.4838 300.2015 -137.7364 -109.0865 557015.8420 14.7396 14.5903 PRESSURE: 3338600 104.077 -64.8811 60.3957 -64.8823 -381.835 -43.4247 60.395 -43.4219 -124.351 GPRESSURE: 3338600 95.46 -71.8141 -28.2991 19.7158 -258.367 -92.4486 -8.06011 -105.858 -148.334 PRESSAVG: 3338600 -53.6923 30.8086 43.0361 30.8087 91.7167 -4.26771 43.036 -4.26773 14.5687 GPRESSAVG: 3338600 -53.6396 33.0501 40.7411 26.7322 92.9438 -4.31562 43.516 -6.38559 13.3582 TIMING: 3338600 CPU: 9676.36, 0.00289903/step Wall: 9676.36, 0.00289903/step, 1.3379 hours remaining, 210.148438 MB of memory in use. ENERGY: 3338600 780.6449 2147.6748 1958.8131 115.9784 -206189.5328 17571.7753 0.0000 0.0000 34453.7141 -149160.9321 300.8929 -183614.6462 -149062.4494 300.2313 -134.0364 -103.7470 555634.0899 17.5310 17.5542 PRESSURE: 3338800 -166.256 -147.68 47.6479 -147.681 -10.9377 82.7736 47.6467 82.7714 169.365 GPRESSURE: 3338800 -97.0985 -138.03 18.9786 -60.0282 -17.0205 141.727 102.284 8.73384 191.582 PRESSAVG: 3338800 -1.89026 67.2321 -27.5169 67.2321 50.7609 -12.837 -27.5168 -12.8368 12.8003 GPRESSAVG: 3338800 -1.81319 69.027 -27.6396 66.5143 49.2653 -13.2052 -27.2855 -13.3182 14.1688 TIMING: 3338800 CPU: 9676.94, 0.00290396/step Wall: 9676.94, 0.00290396/step, 1.34002 hours remaining, 210.148438 MB of memory in use. ENERGY: 3338800 748.1476 2136.7441 1963.4829 109.3433 -206288.6499 17842.4401 0.0000 0.0000 34254.3132 -149234.1787 299.1514 -183488.4919 -149134.0509 299.7627 -2.6093 25.8210 555911.0478 20.5570 20.5403 PRESSURE: 3339000 -129.675 0.32223 0.00318277 0.322811 -113.612 30.3086 0.00450579 30.3091 -18.3938 GPRESSURE: 3339000 -97.7354 -41.3378 -24.0762 54.8572 -107.645 -24.8862 31.0814 126.809 19.1425 PRESSAVG: 3339000 -40.4787 14.7997 2.32686 14.7997 -19.5762 -3.5522 2.32681 -3.55221 66.1863 GPRESSAVG: 3339000 -39.8876 11.2711 2.97416 17.9253 -18.6427 -4.84631 3.74002 -1.55876 64.8311 TIMING: 3339000 CPU: 9677.53, 0.00291671/step Wall: 9677.53, 0.00291671/step, 1.34574 hours remaining, 210.148438 MB of memory in use. ENERGY: 3339000 753.3128 2114.8949 1944.2534 116.0272 -205903.2194 17575.1791 0.0000 0.0000 34242.8097 -149156.7423 299.0510 -183399.5521 -149065.8392 299.3772 -87.2270 -62.0792 557516.3444 2.0438 2.1003 PRESSURE: 3339200 -50.2149 169.071 -121.332 169.072 -116.633 -156.511 -121.331 -156.512 -248.239 GPRESSURE: 3339200 -39.0392 162.067 -111.954 135.535 -76.9789 -117.127 -75.7871 -162.695 -197.217 PRESSAVG: 3339200 -40.4878 -8.0929 -29.2088 -8.093 -8.25444 4.38866 -29.2088 4.38877 13.6573 GPRESSAVG: 3339200 -41.6077 -5.08224 -29.1007 -12.2514 -8.11513 3.55532 -30.3328 3.62406 15.1561 TIMING: 3339200 CPU: 9678.11, 0.00289753/step Wall: 9678.11, 0.00289753/step, 1.33673 hours remaining, 210.148438 MB of memory in use. ENERGY: 3339200 739.3027 2049.6299 1924.1830 106.6000 -205947.5114 17640.2020 0.0000 0.0000 34356.6804 -149130.9133 300.0454 -183487.5937 -149025.1147 300.2748 -138.3624 -104.4118 559213.2885 -11.6950 -11.5223 PRESSURE: 3339400 -265.305 -9.32922 -155.354 -9.33028 -26.1364 -144.327 -155.356 -144.329 -214.167 GPRESSURE: 3339400 -263.97 5.37831 -104.938 -107.339 -1.75812 -267.824 -272.86 -81.1458 -150.19 PRESSAVG: 3339400 15.931 26.0582 -29.6258 26.0582 26.5138 -60.191 -29.626 -60.1911 -3.03437 GPRESSAVG: 3339400 15.2213 23.3202 -29.6756 28.5947 26.8594 -58.9421 -29.5591 -60.081 -3.04058 TIMING: 3339400 CPU: 9678.69, 0.00291896/step Wall: 9678.69, 0.00291896/step, 1.34645 hours remaining, 210.148438 MB of memory in use. ENERGY: 3339400 722.1343 2135.5617 1946.3587 132.0854 -206101.0750 17821.2450 0.0000 0.0000 34143.0998 -149200.5902 298.1802 -183343.6899 -149105.9354 299.4865 -168.5361 -138.6392 559718.1556 13.1368 13.0134 PRESSURE: 3339600 -222.588 174.162 199.617 174.163 -153 -25.0987 199.617 -25.0984 -282.693 GPRESSURE: 3339600 -138.98 124.556 193.499 181.852 -138.143 3.77409 195.71 -69.9693 -277.877 PRESSAVG: 3339600 42.5126 62.2226 -19.1452 62.2226 14.8491 -44.1505 -19.1453 -44.1505 -74.8176 GPRESSAVG: 3339600 41.751 67.0103 -19.1048 62.2056 15.9523 -43.2394 -18.3987 -45.9419 -74.7652 TIMING: 3339600 CPU: 9679.27, 0.0029124/step Wall: 9679.27, 0.0029124/step, 1.34326 hours remaining, 210.148438 MB of memory in use. ENERGY: 3339600 744.6955 2005.8839 1947.4474 106.4523 -206010.2266 17763.7668 0.0000 0.0000 34271.2840 -149170.6968 299.2996 -183441.9807 -149068.2653 299.3246 -219.4271 -185.0001 559734.9767 -5.8187 -5.6873 PRESSURE: 3339800 81.3598 16.2298 4.56102 16.2303 197.238 -133.417 4.56052 -133.418 -21.1155 GPRESSURE: 3339800 88.4937 94.7765 -74.0995 -14.2455 240.378 -88.0842 8.77623 -132.71 11.2701 PRESSAVG: 3339800 35.515 28.8751 24.5265 28.8751 -37.2493 -34.6409 24.5265 -34.6409 -4.84701 GPRESSAVG: 3339800 37.3996 25.9563 25.0559 28.8573 -38.5484 -36.2085 24.2513 -32.843 -6.07577 TIMING: 3339800 CPU: 9679.86, 0.00292226/step Wall: 9679.86, 0.00292226/step, 1.34765 hours remaining, 210.148438 MB of memory in use. ENERGY: 3339800 750.8928 2041.7284 1961.1496 114.0373 -206638.1875 18142.1977 0.0000 0.0000 34508.7735 -149119.4081 301.3737 -183628.1816 -149010.3761 299.4607 85.8275 113.3807 557882.1555 -2.1937 -2.4082 PRESSURE: 3340000 -6.39002 120.588 148.27 120.588 -2.45805 173.335 148.27 173.334 -127.941 GPRESSURE: 3340000 38.8383 118.621 139.454 106.555 -6.70979 121.375 117.258 136.904 -70.0125 PRESSAVG: 3340000 20.6304 -19.7107 -19.1138 -19.7106 13.9393 -12.5373 -19.114 -12.5374 -26.2976 GPRESSAVG: 3340000 19.313 -19.3621 -18.747 -20.2863 15.2431 -12.1244 -19.5992 -13.254 -25.3865 TIMING: 3340000 CPU: 9680.44, 0.00292658/step Wall: 9680.44, 0.00292658/step, 1.34948 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3340000 757.2925 2031.9033 1938.2113 110.0026 -205610.7547 17581.2260 0.0000 0.0000 34095.7532 -149096.3658 297.7667 -183192.1191 -149003.0082 299.6232 -45.5965 -12.6280 557524.8872 2.7574 3.0565 PRESSURE: 3340200 -293.977 -25.5939 -36.302 -25.5932 -69.3154 164.753 -36.3 164.753 -215.554 GPRESSURE: 3340200 -203.509 -30.8619 -77.8122 -8.57757 -81.4996 101.174 -150.861 199.31 -206.892 PRESSAVG: 3340200 1.84945 11.8034 -8.44086 11.8033 -2.96405 48.6397 -8.44092 48.6397 5.79787 GPRESSAVG: 3340200 2.82393 13.5433 -7.80392 11.8441 -3.62877 49.3739 -9.87218 49.3972 5.32072 TIMING: 3340200 CPU: 9681.03, 0.00291834/step Wall: 9681.03, 0.00291834/step, 1.34552 hours remaining, 210.148438 MB of memory in use. ENERGY: 3340200 787.1227 2089.3311 1944.3023 110.8362 -206031.7383 17624.0918 0.0000 0.0000 34197.0993 -149278.9549 298.6518 -183476.0542 -149176.7213 298.8849 -192.9486 -163.9668 557083.6443 1.5611 1.5053 LDB: ============= START OF LOAD BALANCING ============== 9684.41 LDB: ============== END OF LOAD BALANCING =============== 9684.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9684.42 LDB: ============= START OF LOAD BALANCING ============== 9684.71 LDB: Largest compute 4801 load 0.023368 is 19.8% of average load 0.117891 LDB: Average compute 0.001736 is 1.5% of average load 0.117891 LDB: TIME 9684.72 LOAD: AVG 0.117891 MAX 0.183026 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.434 MB LDB: TIME 9684.72 LOAD: AVG 0.117891 MAX 0.183026 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.434 MB LDB: TIME 9684.72 LOAD: AVG 0.117891 MAX 0.183026 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.434 MB LDB: ============== END OF LOAD BALANCING =============== 9684.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9684.72 PRESSURE: 3340400 137.91 133.436 96.1637 133.434 -60.2522 -70.6338 96.1638 -70.633 -242.086 GPRESSURE: 3340400 168.164 129.373 60.6285 82.1727 -10.9557 -63.5463 109.067 -121.814 -237.8 PRESSAVG: 3340400 32.5315 -0.23123 -16.6738 -0.231274 30.7379 0.369509 -16.6738 0.369425 -5.0514 GPRESSAVG: 3340400 32.0153 -2.66086 -17.0877 0.255725 30.7135 -0.53006 -16.5536 -0.255154 -4.93849 TIMING: 3340400 CPU: 9681.63, 0.00300422/step Wall: 9681.63, 0.00300422/step, 1.38494 hours remaining, 211.632812 MB of memory in use. ENERGY: 3340400 773.2821 2099.2350 1938.0142 108.9744 -206173.2906 17695.2208 0.0000 0.0000 34546.0533 -149012.5108 301.6993 -183558.5641 -148917.0052 299.6659 -54.8093 -26.8637 557544.9823 19.4060 19.2634 PRESSURE: 3340600 44.4451 103.453 -118.084 103.452 30.4046 -13.1476 -118.083 -13.1483 264.784 GPRESSURE: 3340600 100.867 120.732 -91.1597 128.006 69.0934 19.8609 -29.6361 -22.0813 269.749 PRESSAVG: 3340600 29.6041 -8.63345 3.17238 -8.6334 -0.300317 -12.036 3.17244 -12.036 -25.6127 GPRESSAVG: 3340600 31.084 -8.21387 1.45833 -9.89397 -0.842766 -10.6639 6.11829 -14.3596 -26.3415 TIMING: 3340600 CPU: 9682.22, 0.00294771/step Wall: 9682.22, 0.00294771/step, 1.35873 hours remaining, 211.835938 MB of memory in use. ENERGY: 3340600 762.2222 2125.7977 1948.6856 105.0621 -205847.7744 17694.3131 0.0000 0.0000 34180.5646 -149031.1292 298.5074 -183211.6938 -148926.4430 299.2892 113.2112 146.5699 556054.5552 1.2303 1.2999 PRESSURE: 3340800 100.938 136.648 93.6592 136.646 -219.391 -20.242 93.66 -20.2416 -131.74 GPRESSURE: 3340800 117.458 111.984 54.1477 141.825 -155.162 -50.962 22.2482 31.8219 -117.792 PRESSAVG: 3340800 11.7425 4.27128 -2.15576 4.27135 53.111 -9.52601 -2.15576 -9.52599 -35.3556 GPRESSAVG: 3340800 10.8932 4.53514 0.272418 6.16754 53.232 -11.9438 -2.48427 -5.86558 -34.4391 TIMING: 3340800 CPU: 9682.8, 0.00292295/step Wall: 9682.8, 0.00292295/step, 1.34716 hours remaining, 211.835938 MB of memory in use. ENERGY: 3340800 758.8991 2145.1142 1939.4045 120.3437 -206028.9644 17602.8497 0.0000 0.0000 34359.0581 -149103.2951 300.0662 -183462.3532 -149004.7933 299.1510 -83.3978 -51.8319 558654.8764 9.8326 9.8954 PRESSURE: 3341000 -128.332 -4.32171 225.67 -4.3214 -27.1084 52.3576 225.67 52.3558 -258.03 GPRESSURE: 3341000 -123.673 -14.1724 283.812 -5.92198 22.2508 29.5928 200.401 99.6475 -215.336 PRESSAVG: 3341000 112.84 46.6621 76.1112 46.6622 -4.82143 10.5343 76.1113 10.5343 -68.0728 GPRESSAVG: 3341000 112.492 46.4165 73.9996 46.8895 -5.05683 11.2843 74.8991 10.2566 -66.9418 TIMING: 3341000 CPU: 9683.38, 0.00291653/step Wall: 9683.38, 0.00291653/step, 1.34403 hours remaining, 211.835938 MB of memory in use. ENERGY: 3341000 764.6526 2088.6480 1927.2636 106.1865 -205979.1459 17677.4512 0.0000 0.0000 34103.0686 -149311.8755 297.8306 -183414.9441 -149210.8348 298.7431 -137.8235 -105.5863 558342.9773 13.3151 13.4978 PRESSURE: 3341200 31.9262 172.074 105.028 172.074 298.907 -70.9804 105.029 -70.9796 -184.684 GPRESSURE: 3341200 72.3118 155.977 14.3417 134.544 356.692 -62.7124 163.293 12.2409 -175.607 PRESSAVG: 3341200 29.6558 -39.468 39.4754 -39.468 77.5286 33.6253 39.4755 33.6252 -64.2158 GPRESSAVG: 3341200 29.5648 -38.5752 40.6686 -40.5263 78.4248 34.1594 40.7644 31.3636 -65.108 TIMING: 3341200 CPU: 9683.97, 0.00290607/step Wall: 9683.97, 0.00290607/step, 1.33905 hours remaining, 211.835938 MB of memory in use. ENERGY: 3341200 736.2420 2172.5183 1898.1197 118.5030 -206288.0890 17958.2225 0.0000 0.0000 34360.0278 -149044.4557 300.0747 -183404.4835 -148940.5210 299.3961 48.7162 84.4656 557890.2128 14.3229 14.2939 PRESSURE: 3341400 170.111 104.37 -8.02741 104.37 4.09747 156.594 -8.02512 156.595 -162.926 GPRESSURE: 3341400 189.087 44.9295 0.51653 171.81 35.6752 125.978 -31.8442 237.304 -113.214 PRESSAVG: 3341400 44.5196 24.464 46.8885 24.464 -20.7245 51.5623 46.8885 51.5622 -41.2276 GPRESSAVG: 3341400 45.6869 24.0092 47.2772 24.9703 -21.3323 50.5242 45.8124 52.6059 -41.7321 TIMING: 3341400 CPU: 9684.54, 0.00288395/step Wall: 9684.54, 0.00288395/step, 1.3287 hours remaining, 211.835938 MB of memory in use. ENERGY: 3341400 755.2302 2105.8761 1915.1173 112.0299 -205995.3545 17752.9903 0.0000 0.0000 34345.7604 -149008.3502 299.9501 -183354.1106 -148912.0704 299.6433 3.7608 37.1828 557516.4676 -5.8108 -5.7925 PRESSURE: 3341600 158.739 2.23021 -26.2425 2.23139 -5.65675 -139.455 -26.2421 -139.455 -62.7618 GPRESSURE: 3341600 204.227 63.9809 -88.4479 23.3872 11.3657 -189.002 24.5718 -136.511 -33.174 PRESSAVG: 3341600 -28.6581 -14.7073 8.13628 -14.7073 5.01047 -18.2666 8.13643 -18.2666 3.92841 GPRESSAVG: 3341600 -30.0404 -13.6928 8.50781 -13.8075 5.00679 -18.9904 8.01795 -18.5704 4.94767 TIMING: 3341600 CPU: 9685.12, 0.00289285/step Wall: 9685.12, 0.00289285/step, 1.33264 hours remaining, 211.835938 MB of memory in use. ENERGY: 3341600 796.1382 2113.9596 1926.6097 112.0949 -206017.7622 17832.3288 0.0000 0.0000 34329.1429 -148907.4880 299.8049 -183236.6309 -148818.3355 300.1788 30.1070 60.8061 558281.1080 -6.5731 -6.6953 PRESSURE: 3341800 97.5495 -83.9003 -45.8918 -83.9011 83.3176 147.576 -45.8913 147.576 45.0907 GPRESSURE: 3341800 141.966 -86.6454 -70.8697 -51.8873 122.14 143.868 -2.16079 238.669 62.5198 PRESSAVG: 3341800 27.521 -18.1473 22.2261 -18.1473 17.377 28.1779 22.2261 28.1778 -29.5875 GPRESSAVG: 3341800 27.3837 -20.5544 21.9787 -18.0301 18.3219 31.4335 23.145 26.4636 -30.3326 TIMING: 3341800 CPU: 9685.7, 0.00288769/step Wall: 9685.7, 0.00288769/step, 1.3301 hours remaining, 211.835938 MB of memory in use. ENERGY: 3341800 769.4600 2121.9977 1938.2695 112.1626 -205892.7731 17806.4248 0.0000 0.0000 34396.2785 -148748.1800 300.3913 -183144.4585 -148648.1523 300.0958 75.3193 108.8752 558123.3820 5.1035 5.1243 PRESSURE: 3342000 328.249 254.281 -46.6961 254.282 -16.6089 74.1041 -46.6965 74.1059 196.737 GPRESSURE: 3342000 368.134 168.051 -99.5232 262.758 43.0794 61.9392 -8.70938 71.9748 202.374 PRESSAVG: 3342000 -5.24526 6.15059 -29.0054 6.15057 -31.5398 19.3783 -29.0054 19.3783 16.3878 GPRESSAVG: 3342000 -3.8861 6.45395 -29.0054 6.37811 -32.7281 17.1577 -29.0485 21.1339 15.8852 TIMING: 3342000 CPU: 9686.28, 0.00289381/step Wall: 9686.28, 0.00289381/step, 1.33276 hours remaining, 211.835938 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: 3342000 766.5924 2155.1307 1956.7166 121.6184 -206316.5316 17963.8738 0.0000 0.0000 34469.3211 -148883.2787 301.0292 -183352.5998 -148787.5533 300.2543 169.4589 204.5289 557175.3134 -6.7991 -6.9097 PRESSURE: 3342200 -223.424 57.6411 -88.6565 57.6411 -110.638 88.9276 -88.6559 88.9265 -17.4752 GPRESSURE: 3342200 -146.592 65.9603 -62.5871 41.704 -124.953 42.7073 -161.468 100.629 6.91732 PRESSAVG: 3342200 -14.6081 19.0409 12.1163 19.0409 39.0043 -4.18712 12.1163 -4.18706 -37.1119 GPRESSAVG: 3342200 -14.5347 18.2558 11.0038 18.6379 38.6865 -5.16148 10.6272 -1.57937 -36.9114 TIMING: 3342200 CPU: 9686.86, 0.00289474/step Wall: 9686.86, 0.00289474/step, 1.33303 hours remaining, 211.835938 MB of memory in use. ENERGY: 3342200 729.7681 2163.2983 1926.8015 115.3647 -205656.0199 17474.6168 0.0000 0.0000 34398.0995 -148848.0711 300.4072 -183246.1706 -148756.7881 299.8060 -117.1792 -88.2089 559166.7084 -4.2386 -4.2532 PRESSURE: 3342400 -39.3518 -129.739 146.468 -129.74 63.3256 -97.8847 146.469 -97.8829 -26.5125 GPRESSURE: 3342400 -48.7504 -147.641 63.4326 -82.9155 49.2166 3.96083 133.739 -116.795 102.451 PRESSAVG: 3342400 2.01659 -63.0952 31.524 -63.0952 6.83025 -42.2737 31.5241 -42.2737 -12.6186 GPRESSAVG: 3342400 1.68554 -61.6412 32.8192 -62.7813 8.64739 -40.752 29.831 -44.8458 -13.2806 TIMING: 3342400 CPU: 9687.44, 0.00289679/step Wall: 9687.44, 0.00289679/step, 1.33381 hours remaining, 211.835938 MB of memory in use. ENERGY: 3342400 767.5115 2102.9219 1975.6424 117.0128 -206123.6922 17654.0579 0.0000 0.0000 34513.3975 -148993.1482 301.4141 -183506.5457 -148900.2202 300.6885 -0.8463 34.3057 557312.1425 -1.2573 -0.9826 PRESSURE: 3342600 -21.1364 13.0542 38.6936 13.0561 -115.627 149.363 38.6936 149.362 -63.8093 GPRESSURE: 3342600 -53.4415 -19.036 26.3686 84.0891 -39.4028 119.832 -4.45543 146.596 -22.4443 PRESSAVG: 3342600 -47.2906 -16.6001 -50.0791 -16.6001 2.08733 -3.91904 -50.0791 -3.91901 34.6618 GPRESSAVG: 3342600 -48.1632 -14.9718 -49.6484 -17.9789 1.83258 -3.49781 -48.1842 -4.09151 35.9991 TIMING: 3342600 CPU: 9688.01, 0.00289104/step Wall: 9688.01, 0.00289104/step, 1.331 hours remaining, 211.835938 MB of memory in use. ENERGY: 3342600 760.9390 2141.0411 1935.3494 115.9066 -206409.6581 17934.8484 0.0000 0.0000 34444.2240 -149077.3496 300.8100 -183521.5735 -148987.9793 300.0461 -66.8575 -38.4295 557181.1539 -3.5138 -3.4439 PRESSURE: 3342800 23.2201 32.9921 42.2888 32.9923 -198.065 108.842 42.2895 108.841 -230.553 GPRESSURE: 3342800 17.208 61.9246 -37.7095 54.3579 -107.316 41.7724 58.8529 89.2398 -198.5 PRESSAVG: 3342800 95.5155 27.1413 9.65484 27.1414 -43.5551 8.30241 9.65487 8.3023 -30.3738 GPRESSAVG: 3342800 96.0631 24.7986 10.7003 28.8178 -43.7357 8.76684 9.15224 8.632 -30.9856 TIMING: 3342800 CPU: 9688.59, 0.00290345/step Wall: 9688.59, 0.00290345/step, 1.33655 hours remaining, 211.835938 MB of memory in use. ENERGY: 3342800 751.3826 2170.7127 1953.4195 117.9648 -206246.3462 17798.7422 0.0000 0.0000 34321.5206 -149132.6037 299.7384 -183454.1243 -149035.6618 299.9627 -135.1324 -96.2026 559109.8768 7.1955 7.1139 PRESSURE: 3343000 -239.53 -84.1 -72.8992 -84.1008 -123.707 40.8319 -72.9001 40.8306 -164.48 GPRESSURE: 3343000 -197.608 -15.1833 -102.928 -148.363 -89.2196 -8.76599 -116.253 -39.0192 -150.562 PRESSAVG: 3343000 20.4816 19.2058 -13.6124 19.2058 -67.3726 13.9667 -13.6124 13.9666 16.9943 GPRESSAVG: 3343000 21.4595 20.2026 -16.6578 17.9511 -67.5024 15.5304 -12.4591 14.4542 15.8809 TIMING: 3343000 CPU: 9689.18, 0.00291292/step Wall: 9689.18, 0.00291292/step, 1.34075 hours remaining, 211.835938 MB of memory in use. ENERGY: 3343000 784.0691 2138.6647 1920.1940 115.6804 -206114.6500 17669.1708 0.0000 0.0000 34412.2824 -149074.5886 300.5310 -183486.8710 -148970.1512 299.8793 -175.9057 -145.7966 558506.2577 -9.9656 -10.0540 PRESSURE: 3343200 -12.7285 25.6405 -156.18 25.6406 31.1934 -155.484 -156.18 -155.484 -174.499 GPRESSURE: 3343200 6.52702 52.9939 -118.809 -30.9495 82.6535 -150.684 -162.02 -201.711 -146.91 PRESSAVG: 3343200 -6.10599 31.5172 -10.5568 31.5172 16.0759 -24.3368 -10.5568 -24.3368 4.3376 GPRESSAVG: 3343200 -7.53573 32.2266 -9.57396 32.5088 15.3776 -27.3632 -11.371 -24.3596 5.8866 TIMING: 3343200 CPU: 9689.76, 0.00290669/step Wall: 9689.76, 0.00290669/step, 1.33772 hours remaining, 211.835938 MB of memory in use. ENERGY: 3343200 744.3844 2164.0381 1923.7112 107.5358 -205643.6603 17653.3504 0.0000 0.0000 33905.7601 -149144.8803 296.1074 -183050.6404 -149047.3876 299.3588 -52.0113 -19.2431 557527.4856 4.7692 4.5761 PRESSURE: 3343400 41.5986 -175.297 -21.7016 -175.298 40.2022 -218.479 -21.7005 -218.478 -94.2188 GPRESSURE: 3343400 95.9652 -83.0002 63.45 -255.288 48.6289 -248.985 -25.2764 -236.462 -57.741 PRESSAVG: 3343400 -19.4688 -14.2085 1.9052 -14.2085 10.7546 -27.8291 1.90522 -27.8292 46.1569 GPRESSAVG: 3343400 -19.5746 -13.2611 3.03493 -15.3965 11.6244 -24.8906 2.26286 -28.9493 45.3372 TIMING: 3343400 CPU: 9690.34, 0.00291459/step Wall: 9690.34, 0.00291459/step, 1.3412 hours remaining, 211.835938 MB of memory in use. ENERGY: 3343400 783.7480 2141.6883 1964.3269 112.4781 -206139.7617 17718.0929 0.0000 0.0000 34157.6337 -149261.7939 298.3071 -183419.4275 -149160.6509 298.5943 -4.1393 28.9510 556571.7926 12.4809 12.4623 PRESSURE: 3343600 -65.8878 -82.0848 -86.6967 -82.0846 -68.4681 187.732 -86.6976 187.729 -186.176 GPRESSURE: 3343600 -23.7705 -109.915 -83.7538 -6.7096 -86.3209 112.541 -9.40223 169.033 -105.182 PRESSAVG: 3343600 -20.9458 -1.18265 -23.7108 -1.18263 -3.83474 -14.8641 -23.7107 -14.8643 9.9474 GPRESSAVG: 3343600 -20.2524 -2.96938 -24.7032 -0.933745 -4.45019 -15.725 -25.0042 -14.824 10.5977 TIMING: 3343600 CPU: 9690.92, 0.0029034/step Wall: 9690.92, 0.0029034/step, 1.33589 hours remaining, 211.835938 MB of memory in use. ENERGY: 3343600 754.9368 2092.0596 1937.3002 109.4234 -205840.0919 17545.2787 0.0000 0.0000 34251.5067 -149149.5866 299.1269 -183401.0933 -149050.9555 299.5929 -106.8441 -71.7579 558887.9012 -4.9444 -4.7016 PRESSURE: 3343800 -12.2528 -1.1159 163.953 -1.11652 -139.788 -124.331 163.953 -124.331 -215.924 GPRESSURE: 3343800 27.2979 -53.3925 178.291 49.0728 -116.745 -207.652 50.2056 -71.2147 -169.862 PRESSAVG: 3343800 68.5543 -48.9248 70.5865 -48.9247 -2.07853 -2.66963 70.5864 -2.66968 -9.86386 GPRESSAVG: 3343800 67.2747 -49.1194 71.742 -48.4121 0.0281766 -2.7932 70.6651 -1.10879 -11.0156 TIMING: 3343800 CPU: 9691.5, 0.00288952/step Wall: 9691.5, 0.00288952/step, 1.32934 hours remaining, 211.835938 MB of memory in use. ENERGY: 3343800 750.9518 2175.1150 1901.8210 111.6949 -206177.9150 17725.6326 0.0000 0.0000 34204.0645 -149308.6351 298.7126 -183512.6996 -149208.9134 298.9596 -122.6550 -86.4365 558404.3936 18.8706 18.7624 PRESSURE: 3344000 166.992 -20.1944 -6.84826 -20.1962 79.353 -54.3416 -6.84787 -54.3446 211.995 GPRESSURE: 3344000 254.628 -3.75523 -182.613 -4.53546 132.036 -90.3975 29.5038 12.92 169.429 PRESSAVG: 3344000 36.7606 -36.2289 -17.6668 -36.2289 10.3562 -41.8199 -17.6669 -41.8198 -46.171 GPRESSAVG: 3344000 38.4131 -35.6064 -18.4905 -37.4683 8.01259 -42.5831 -15.6258 -42.7538 -45.3523 TIMING: 3344000 CPU: 9692.08, 0.00291098/step Wall: 9692.08, 0.00291098/step, 1.33905 hours remaining, 211.835938 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: 3344000 719.9109 2159.5421 1953.1358 135.8744 -206803.5912 18202.2656 0.0000 0.0000 34285.5887 -149347.2737 299.4246 -183632.8624 -149247.0742 298.2740 152.7800 185.3644 556839.4460 0.3152 0.3578 PRESSURE: 3344200 -36.0744 -9.19965 -1.75024 -9.20028 223.29 -72.8027 -1.74933 -72.8029 25.1799 GPRESSURE: 3344200 1.88036 -95.7481 67.6418 61.9202 260.863 -30.7969 -18.9656 28.3386 41.5391 PRESSAVG: 3344200 15.4141 -37.7554 -20.098 -37.7554 44.3176 13.9209 -20.098 13.9209 -57.8925 GPRESSAVG: 3344200 15.1393 -37.2785 -18.9111 -37.1861 45.0705 15.391 -20.9463 13.5658 -58.2456 TIMING: 3344200 CPU: 9692.66, 0.00287433/step Wall: 9692.66, 0.00287433/step, 1.32203 hours remaining, 211.835938 MB of memory in use. ENERGY: 3344200 796.0852 2131.4777 1918.6956 113.2325 -206761.2690 18276.9558 0.0000 0.0000 34234.3752 -149290.4471 298.9773 -183524.8223 -149192.4861 299.3856 70.7987 101.4276 557791.8953 0.6131 0.6548 LDB: ============= START OF LOAD BALANCING ============== 9696.04 LDB: ============== END OF LOAD BALANCING =============== 9696.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9696.04 LDB: ============= START OF LOAD BALANCING ============== 9696.33 LDB: Largest compute 4802 load 0.023818 is 20.2% of average load 0.117953 LDB: Average compute 0.001728 is 1.5% of average load 0.117953 LDB: TIME 9696.33 LOAD: AVG 0.117953 MAX 0.180712 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.18 MB LDB: TIME 9696.33 LOAD: AVG 0.117953 MAX 0.180712 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.18 MB LDB: TIME 9696.33 LOAD: AVG 0.117953 MAX 0.180712 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9696.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 9696.34 PRESSURE: 3344400 20.6518 -52.9142 -58.0059 -52.9128 164.607 -118.926 -58.0057 -118.924 -46.6733 GPRESSURE: 3344400 46.2984 -115.951 -94.6869 0.134228 165.32 -98.4616 -104.115 -223.989 17.144 PRESSAVG: 3344400 21.0477 -41.4429 46.5322 -41.4429 25.4437 1.03345 46.5321 1.03332 -59.6923 GPRESSAVG: 3344400 20.0335 -40.0027 45.7648 -41.8783 25.8004 -0.970354 47.0572 1.17484 -58.4789 TIMING: 3344400 CPU: 9693.24, 0.00292602/step Wall: 9693.24, 0.00292602/step, 1.34564 hours remaining, 210.210938 MB of memory in use. ENERGY: 3344400 736.9295 2155.5009 1934.8098 116.3287 -206686.3095 18005.1884 0.0000 0.0000 34321.1288 -149416.4234 299.7350 -183737.5522 -149318.5231 298.8452 46.1950 76.2543 557769.9522 -4.4003 -4.2150 Info: useSync: 0 useProxySync: 0 PRESSURE: 3344600 -234.331 -93.0193 19.3116 -93.0186 -236.457 -107.22 19.3114 -107.221 -191.472 GPRESSURE: 3344600 -173.328 -71.386 -20.9004 -84.912 -248.837 -97.0869 54.7715 -35.5872 -153.339 PRESSAVG: 3344600 -9.71024 -25.3088 -4.47136 -25.3088 -71.7767 21.8681 -4.47134 21.8681 31.6112 GPRESSAVG: 3344600 -8.64198 -25.1609 -6.62898 -25.0651 -71.4859 23.3918 -2.89813 20.0486 30.724 TIMING: 3344600 CPU: 9693.82, 0.00288441/step Wall: 9693.82, 0.00288441/step, 1.32635 hours remaining, 210.210938 MB of memory in use. ENERGY: 3344600 767.3694 2146.3818 1953.3835 129.9671 -205847.0891 17509.8526 0.0000 0.0000 34059.7335 -149280.4012 297.4521 -183340.1348 -149183.3912 298.3793 -220.7533 -191.8345 558146.8975 -16.6252 -16.4679 PRESSURE: 3344800 8.24014 165.908 -133.475 165.907 119.388 88.2609 -133.474 88.2592 183.854 GPRESSURE: 3344800 34.5093 169.174 -89.5382 192.069 152.719 125.008 -260.42 70.0541 214.126 PRESSAVG: 3344800 -3.66658 -7.88753 10.4397 -7.88753 8.60931 18.9907 10.4397 18.9908 61.9158 GPRESSAVG: 3344800 -2.01296 -8.78082 10.1571 -8.63596 6.95992 18.5271 9.8787 21.8033 62 TIMING: 3344800 CPU: 9694.4, 0.00288614/step Wall: 9694.4, 0.00288614/step, 1.32698 hours remaining, 210.210938 MB of memory in use. ENERGY: 3344800 737.5889 2162.0129 1944.8189 110.3157 -206088.5284 17733.8790 0.0000 0.0000 34048.1119 -149351.8010 297.3506 -183399.9130 -149256.7124 299.4528 103.8276 133.7848 556706.8439 22.2862 22.3157 PRESSURE: 3345000 136.974 -79.0963 77.8104 -79.0968 87.4904 -37.143 77.8106 -37.1434 -26.2156 GPRESSURE: 3345000 126.83 -176.896 151.239 -7.87399 100.663 -9.37178 -31.9882 -21.7823 66.0541 PRESSAVG: 3345000 -30.5042 42.6755 15.2705 42.6755 57.5588 -4.61145 15.2705 -4.61147 -16.1192 GPRESSAVG: 3345000 -32.0721 41.8687 17.6194 44.0423 59.6475 -5.03408 12.2615 -5.36982 -16.2276 TIMING: 3345000 CPU: 9694.97, 0.00288049/step Wall: 9694.97, 0.00288049/step, 1.32423 hours remaining, 210.210938 MB of memory in use. ENERGY: 3345000 710.5636 2147.3283 1926.0866 117.1535 -206266.3273 17941.5166 0.0000 0.0000 34241.4731 -149182.2056 299.0393 -183423.6787 -149077.9510 299.7184 66.0828 97.8489 556148.8208 3.6451 3.7826 PRESSURE: 3345200 -34.4512 -18.5965 -12.9556 -18.5967 17.2912 207.933 -12.9555 207.932 184.262 GPRESSURE: 3345200 10.6993 43.9321 -14.2468 -56.1448 42.0843 149.1 -13.4309 155.314 220.629 PRESSAVG: 3345200 6.611 0.838873 0.967617 0.838877 -5.39541 35.4724 0.967618 35.4724 8.21643 GPRESSAVG: 3345200 7.87788 2.4808 -0.322384 -1.23127 -6.69947 34.8758 0.650743 35.7014 8.485 TIMING: 3345200 CPU: 9695.55, 0.0028887/step Wall: 9695.55, 0.0028887/step, 1.32784 hours remaining, 210.210938 MB of memory in use. ENERGY: 3345200 772.0646 2130.1090 1947.6217 130.2346 -206437.6622 17914.3232 0.0000 0.0000 34189.5246 -149353.7846 298.5856 -183543.3092 -149262.0794 298.8632 55.7007 91.1376 555551.8411 3.1440 3.2211 PRESSURE: 3345400 -72.961 -65.8449 -10.0971 -65.8437 -43.3492 43.9783 -10.0976 43.9774 -105.453 GPRESSURE: 3345400 -34.675 -106.213 97.665 -30.4239 -3.29105 77.9108 -70.2443 73.1431 -77.783 PRESSAVG: 3345400 -11.6852 2.8797 -4.43632 2.87966 37.7801 -48.3935 -4.43628 -48.3936 -15.259 GPRESSAVG: 3345400 -11.8692 1.82151 -3.66275 3.3188 37.7749 -48.0467 -4.74452 -48.7886 -15.1655 TIMING: 3345400 CPU: 9696.12, 0.00287273/step Wall: 9696.12, 0.00287273/step, 1.32034 hours remaining, 210.210938 MB of memory in use. ENERGY: 3345400 737.4939 2117.4729 1935.5136 113.2441 -206412.4905 17883.3932 0.0000 0.0000 34423.7619 -149201.6109 300.6313 -183625.3727 -149107.6359 298.9365 -73.9209 -38.5830 555663.8887 3.6119 3.5801 PRESSURE: 3345600 -187.242 67.6329 -118.392 67.6333 19.0864 -20.4846 -118.391 -20.486 -147.124 GPRESSURE: 3345600 -176.998 14.1849 -152.225 93.5507 42.1208 41.5652 -104.951 -128.431 -82.4747 PRESSAVG: 3345600 35.7671 11.7088 -18.8713 11.7088 -36.0436 14.9292 -18.8713 14.9292 -17.4381 GPRESSAVG: 3345600 35.6189 11.1718 -18.2341 12.0635 -35.6033 15.8329 -17.1651 14.3191 -17.5574 TIMING: 3345600 CPU: 9696.7, 0.00289551/step Wall: 9696.7, 0.00289551/step, 1.33065 hours remaining, 210.210938 MB of memory in use. ENERGY: 3345600 777.5813 2066.3178 1934.7473 104.6814 -206103.1490 17689.9759 0.0000 0.0000 34367.6813 -149162.1640 300.1415 -183529.8452 -149064.2708 299.8397 -105.0933 -72.4506 557358.1269 -5.9049 -5.8473 PRESSURE: 3345800 75.0439 47.9487 7.03276 47.9503 95.0353 -17.7445 7.03301 -17.7455 229.415 GPRESSURE: 3345800 158.596 -24.5035 59.9654 114.485 148.33 23.225 51.0888 17.9986 193.648 PRESSAVG: 3345800 -3.94466 44.0793 3.88238 44.0792 -8.5779 11.2186 3.88233 11.2186 2.7446 GPRESSAVG: 3345800 -2.91045 43.6033 4.47921 46.1938 -9.39986 9.98049 2.50415 13.6877 2.22352 TIMING: 3345800 CPU: 9697.29, 0.00291185/step Wall: 9697.29, 0.00291185/step, 1.338 hours remaining, 210.210938 MB of memory in use. ENERGY: 3345800 735.7338 2108.2894 1921.7540 106.4421 -206551.7957 18037.7636 0.0000 0.0000 34474.9053 -149166.9076 301.0779 -183641.8129 -149065.8570 299.7518 133.1646 166.8581 556436.5422 -3.2593 -3.3623 PRESSURE: 3346000 237.573 -138.138 -165.588 -138.138 -76.592 -58.5967 -165.587 -58.5979 71.0772 GPRESSURE: 3346000 229.01 -110.273 -47.9099 -107.866 -52.9006 -55.0286 -319.839 -67.5074 159.396 PRESSAVG: 3346000 28.6997 -16.5836 32.4103 -16.5836 -4.06976 -70.1693 32.4104 -70.1693 -33.2386 GPRESSAVG: 3346000 27.2582 -13.0318 31.5532 -18.0856 -5.03136 -66.5325 33.1122 -72.6908 -31.0331 TIMING: 3346000 CPU: 9697.87, 0.00290516/step Wall: 9697.87, 0.00290516/step, 1.33476 hours remaining, 210.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3346000 731.0432 2080.6711 1930.8762 119.6663 -206543.5333 18033.2919 0.0000 0.0000 34404.9311 -149243.0535 300.4668 -183647.9846 -149146.5504 298.5614 77.3527 111.8348 556707.6175 -2.8696 -2.9354 PRESSURE: 3346200 -300.422 -80.0174 57.4181 -80.0166 -215.084 -103.484 57.4189 -103.483 -224.292 GPRESSURE: 3346200 -289.51 6.857 107.915 -122.223 -156.628 -96.7521 -18.524 -160.848 -190.39 PRESSAVG: 3346200 -52.5742 -37.7155 22.1865 -37.7155 14.1016 -89.7293 22.1865 -89.7294 35.7939 GPRESSAVG: 3346200 -51.9969 -40.3498 20.5679 -38.145 14.2903 -92.7988 24.4877 -89.1181 35.0416 TIMING: 3346200 CPU: 9698.45, 0.00290586/step Wall: 9698.45, 0.00290586/step, 1.33492 hours remaining, 210.210938 MB of memory in use. ENERGY: 3346200 761.4182 2062.7853 1958.1276 116.7465 -205797.5428 17361.5022 0.0000 0.0000 34227.6252 -149309.3379 298.9184 -183536.9631 -149213.9813 298.7460 -246.5994 -212.1759 557556.6349 -0.8929 -0.8883 PRESSURE: 3346400 -187.97 7.49869 60.8417 7.49947 -144.402 -46.7215 60.8425 -46.7209 -32.5491 GPRESSURE: 3346400 -208.424 39.5245 121.109 46.4799 -50.255 -77.7808 36.0706 85.795 -4.58855 PRESSAVG: 3346400 21.3401 9.76357 5.97142 9.76361 -26.6553 -19.8948 5.97148 -19.8948 23.0591 GPRESSAVG: 3346400 21.5151 10.4347 7.43391 9.32178 -26.1435 -18.0751 4.6168 -17.9923 22.945 TIMING: 3346400 CPU: 9699.03, 0.00292131/step Wall: 9699.03, 0.00292131/step, 1.34186 hours remaining, 210.210938 MB of memory in use. ENERGY: 3346400 720.8051 2119.5954 1917.6605 112.3962 -206117.0811 17691.4645 0.0000 0.0000 34270.4984 -149284.6610 299.2928 -183555.1594 -149189.1486 298.6798 -121.6402 -87.7560 557572.9886 5.9146 6.1055 PRESSURE: 3346600 137.23 -21.6294 127.861 -21.6302 201.338 -186.08 127.862 -186.079 67.8749 GPRESSURE: 3346600 186.63 -85.6778 161.083 57.2434 196.287 -190.901 151.054 -164.244 111.294 PRESSAVG: 3346600 -21.9446 32.6697 17.7018 32.6696 13.2941 -18.9652 17.7019 -18.9651 -0.553822 GPRESSAVG: 3346600 -22.5905 32.3069 17.3087 35.1909 13.244 -19.3459 17.3258 -19.2773 0.578537 TIMING: 3346600 CPU: 9699.61, 0.00287068/step Wall: 9699.61, 0.00287068/step, 1.31844 hours remaining, 210.210938 MB of memory in use. ENERGY: 3346600 736.9368 2128.1023 1936.1395 115.2991 -206584.2632 18029.6568 0.0000 0.0000 34236.5816 -149401.5470 298.9966 -183638.1286 -149305.5866 298.8353 135.4809 164.7368 557073.9112 -3.0681 -2.9226 PRESSURE: 3346800 -191.662 8.17776 133.194 8.17887 48.78 76.4786 133.192 76.4784 -182.829 GPRESSURE: 3346800 -173.36 4.63645 186.327 19.6104 64.9516 -3.30207 150.852 107.556 -110.258 PRESSAVG: 3346800 -79.648 -52.5585 61.3878 -52.5586 12.8835 -6.46185 61.3878 -6.46182 55.1361 GPRESSAVG: 3346800 -79.0304 -50.5213 62.1134 -51.9131 12.8885 -6.19916 60.0521 -6.97787 54.7981 TIMING: 3346800 CPU: 9700.18, 0.00288483/step Wall: 9700.18, 0.00288483/step, 1.32478 hours remaining, 210.210938 MB of memory in use. ENERGY: 3346800 738.2610 2068.1664 1961.1946 103.8345 -206010.8212 17579.7547 0.0000 0.0000 34152.5564 -149407.0538 298.2628 -183559.6102 -149309.9052 298.8071 -108.5703 -72.8889 557118.4251 -3.8761 -3.7813 PRESSURE: 3347000 -311.031 -40.0495 59.5082 -40.0493 -152.462 -62.0699 59.5077 -62.0693 -71.4868 GPRESSURE: 3347000 -229.194 -127.547 2.63095 7.729 -125.375 -16.7754 101.735 -115.73 -68.4048 PRESSAVG: 3347000 3.77742 25.2031 12.0742 25.203 12.3398 6.60611 12.074 6.60615 -14.2293 GPRESSAVG: 3347000 4.53194 21.5287 9.91553 24.8894 12.1629 7.34633 13.5298 6.06866 -15.2858 TIMING: 3347000 CPU: 9700.76, 0.00287384/step Wall: 9700.76, 0.00287384/step, 1.31957 hours remaining, 210.210938 MB of memory in use. ENERGY: 3347000 771.0166 2062.2748 1948.4388 120.4539 -206141.2775 17728.4370 0.0000 0.0000 34094.7171 -149415.9393 297.7576 -183510.6564 -149325.4543 298.9256 -178.3266 -140.9913 559213.9071 0.6293 0.4697 PRESSURE: 3347200 110.465 82.1941 57.6762 82.1944 78.7077 84.5401 57.675 84.5393 91.4423 GPRESSURE: 3347200 104.894 61.6063 69.5111 -29.3614 103.415 82.7453 -24.3204 42.7319 169.862 PRESSAVG: 3347200 41.1068 -6.60985 -27.5565 -6.60985 -54.9777 -68.2712 -27.5566 -68.2712 12.8646 GPRESSAVG: 3347200 39.7867 -5.30296 -27.5085 -8.47705 -54.4707 -68.5279 -27.5525 -67.8977 14.0578 TIMING: 3347200 CPU: 9701.33, 0.00287602/step Wall: 9701.33, 0.00287602/step, 1.32041 hours remaining, 210.210938 MB of memory in use. ENERGY: 3347200 729.8735 2090.8495 1916.6479 123.6283 -207023.1613 18304.3758 0.0000 0.0000 34277.8686 -149579.9177 299.3572 -183857.7863 -149482.1033 298.5858 93.5384 126.0570 558818.4930 -0.3354 -0.2087 PRESSURE: 3347400 36.3996 -19.5558 -75.6381 -19.5563 -48.4911 -129.591 -75.6384 -129.589 -117.531 GPRESSURE: 3347400 53.698 -30.8273 -57.579 71.237 49.7753 -90.1661 -104.146 -121.951 -133.49 PRESSAVG: 3347400 5.00987 -0.931523 -3.84518 -0.931483 29.0541 -10.455 -3.84514 -10.455 -26.0363 GPRESSAVG: 3347400 6.28497 -1.39648 -3.22454 1.56601 28.7399 -10.0354 -3.31236 -11.6077 -27.2941 TIMING: 3347400 CPU: 9701.91, 0.0028892/step Wall: 9701.91, 0.0028892/step, 1.3263 hours remaining, 210.210938 MB of memory in use. ENERGY: 3347400 762.0299 2068.1857 1925.7590 111.5092 -206136.6052 17767.8278 0.0000 0.0000 33840.8854 -149660.4082 295.5409 -183501.2936 -149571.8164 297.7950 -43.2074 -10.0057 559142.9628 2.6759 2.5770 PRESSURE: 3347600 131.34 -7.52311 -226.949 -7.52269 167.765 117.858 -226.949 117.857 -63.5441 GPRESSURE: 3347600 218.927 -42.3608 -179.244 -40.2214 153.064 87.1662 -276.857 142.092 -41.2901 PRESSAVG: 3347600 35.3135 -7.33554 7.75797 -7.33561 8.28638 -10.5456 7.75797 -10.5457 -38.4295 GPRESSAVG: 3347600 34.8245 -8.39926 8.952 -9.37154 9.33821 -11.8761 5.11583 -6.63161 -38.5186 TIMING: 3347600 CPU: 9702.49, 0.00289423/step Wall: 9702.49, 0.00289423/step, 1.32845 hours remaining, 210.210938 MB of memory in use. ENERGY: 3347600 752.1969 2066.1040 1948.8859 111.6329 -206884.5375 18173.3659 0.0000 0.0000 34159.6281 -149672.7237 298.3245 -183832.3519 -149572.6232 298.0655 78.5205 110.2335 557575.2527 1.7234 1.8814 PRESSURE: 3347800 143.646 83.1486 -4.64135 83.1484 312.661 295.037 -4.64285 295.037 -186.879 GPRESSURE: 3347800 193.452 124.722 -12.4262 5.15717 347.925 283.466 24.7598 314.96 -171.877 PRESSAVG: 3347800 -9.70263 -1.78268 -23.7212 -1.78267 -0.778733 37.954 -23.7212 37.9541 -17.5244 GPRESSAVG: 3347800 -10.3778 0.662689 -23.966 -1.4153 -1.09185 38.3422 -21.0245 35.4182 -16.4845 TIMING: 3347800 CPU: 9703.07, 0.00288894/step Wall: 9703.07, 0.00288894/step, 1.32586 hours remaining, 210.210938 MB of memory in use. ENERGY: 3347800 742.3833 2109.1909 1943.8221 119.7136 -206788.0335 18078.0527 0.0000 0.0000 34094.0960 -149700.7749 297.7522 -183794.8709 -149613.4841 298.0234 89.8092 123.1668 556538.5050 -9.3353 -9.3181 PRESSURE: 3348000 -26.9944 4.04931 10.042 4.04954 -145.41 20.3529 10.0432 20.3529 49.0285 GPRESSURE: 3348000 7.83396 -80.4929 0.330718 -8.22611 -107.718 1.04926 -10.7617 57.1144 67.7575 PRESSAVG: 3348000 -43.9724 15.1868 8.57146 15.1868 5.42981 19.4814 8.57143 19.4814 16.8886 GPRESSAVG: 3348000 -43.7991 13.0133 6.74771 15.4056 6.6015 19.2048 8.78331 18.6959 15.5966 TIMING: 3348000 CPU: 9703.64, 0.00288554/step Wall: 9703.64, 0.00288554/step, 1.32414 hours remaining, 210.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3348000 722.9995 2112.5729 1910.2916 108.3532 -206088.6040 17668.3262 0.0000 0.0000 34055.2259 -149510.8348 297.4128 -183566.0606 -149410.3710 297.8174 -41.1255 -10.7089 558069.7475 -7.2180 -7.2003 PRESSURE: 3348200 -193.129 -32.1053 -53.3462 -32.1048 -488.407 -67.0333 -53.346 -67.0337 -143.514 GPRESSURE: 3348200 -124.369 8.83233 -69.2846 -29.668 -428.591 -11.9382 21.5432 -106.03 -178.941 PRESSAVG: 3348200 50.9943 36.8624 -27.8231 36.8623 0.257861 13.9378 -27.8231 13.9378 -46.4563 GPRESSAVG: 3348200 50.9458 38.6868 -27.0051 35.9475 -1.30322 13.5155 -29.6687 15.2906 -45.3953 TIMING: 3348200 CPU: 9704.22, 0.002894/step Wall: 9704.22, 0.002894/step, 1.32787 hours remaining, 210.210938 MB of memory in use. ENERGY: 3348200 798.7024 2111.2135 1958.7280 113.6328 -206489.2803 17767.0262 0.0000 0.0000 34461.2903 -149278.6870 300.9590 -183739.9773 -149185.8010 299.3795 -275.0167 -243.9669 558753.7149 1.5986 1.4158 LDB: ============= START OF LOAD BALANCING ============== 9707.61 LDB: ============== END OF LOAD BALANCING =============== 9707.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9707.61 LDB: ============= START OF LOAD BALANCING ============== 9707.9 LDB: Largest compute 4792 load 0.024260 is 20.6% of average load 0.117972 LDB: Average compute 0.001730 is 1.5% of average load 0.117972 LDB: TIME 9707.9 LOAD: AVG 0.117972 MAX 0.179996 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.527 MB LDB: TIME 9707.9 LOAD: AVG 0.117972 MAX 0.179996 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.527 MB LDB: TIME 9707.9 LOAD: AVG 0.117972 MAX 0.179996 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9707.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9707.91 PRESSURE: 3348400 30.4481 63.463 28.9239 63.4627 -13.9127 136.427 28.9263 136.426 -178.567 GPRESSURE: 3348400 14.9023 0.271762 -24.7859 62.7611 13.1644 136.269 5.54772 93.212 -90.3186 PRESSAVG: 3348400 34.781 11.3646 -4.73467 11.3647 -4.74179 -1.56967 -4.73464 -1.56961 -3.49029 GPRESSAVG: 3348400 34.1848 11.7438 -4.1301 11.5801 -3.76944 -2.34262 -5.81077 -2.44465 -4.22303 TIMING: 3348400 CPU: 9704.81, 0.00293831/step Wall: 9704.81, 0.00293831/step, 1.34803 hours remaining, 210.660156 MB of memory in use. ENERGY: 3348400 740.4466 2030.9862 1940.0369 102.6747 -206258.3815 17876.9246 0.0000 0.0000 34376.1573 -149191.1551 300.2155 -183567.3124 -149092.3204 299.4733 -54.0106 -20.7506 557801.8383 8.8497 8.7308 PRESSURE: 3348600 27.0927 -21.4577 -4.08966 -21.4564 -330.746 206.429 -4.09069 206.43 -168.252 GPRESSURE: 3348600 66.4289 15.8448 -25.7039 -14.7331 -312.543 166.034 -7.04213 182.145 -136.617 PRESSAVG: 3348600 -3.38724 -22.7104 -15.0519 -22.7104 -4.3715 72.432 -15.0519 72.432 -16.4607 GPRESSAVG: 3348600 -3.90116 -23.306 -14.2963 -23.61 -5.70274 73.7476 -12.7256 70.9433 -14.8448 TIMING: 3348600 CPU: 9705.39, 0.00288549/step Wall: 9705.39, 0.00288549/step, 1.32364 hours remaining, 210.863281 MB of memory in use. ENERGY: 3348600 737.2643 2102.2594 1910.7889 111.1651 -205927.8572 17605.7288 0.0000 0.0000 34262.6172 -149198.0335 299.2240 -183460.6507 -149100.9429 299.2932 -157.3017 -127.5769 559126.3765 -8.0732 -8.1496 PRESSURE: 3348800 -209.248 -60.1436 -24.0568 -60.1426 29.8978 -176.551 -24.0568 -176.551 33.1705 GPRESSURE: 3348800 -109.091 18.6123 -60.7449 -151.853 44.6978 -166.398 -90.6929 -103.882 24.0116 PRESSAVG: 3348800 18.7657 54.5209 15.4258 54.5209 -2.39598 -20.3358 15.4259 -20.3357 -27.3124 GPRESSAVG: 3348800 19.5968 55.3364 15.1168 56.3881 -0.957121 -20.0876 14.9438 -16.6479 -29.0344 TIMING: 3348800 CPU: 9705.97, 0.00289334/step Wall: 9705.97, 0.00289334/step, 1.32708 hours remaining, 210.863281 MB of memory in use. ENERGY: 3348800 734.4509 2117.9359 1933.1391 110.7975 -206216.8974 17840.3631 0.0000 0.0000 34449.2169 -149030.9941 300.8536 -183480.2110 -148935.7593 299.2336 -48.7265 -13.4605 559052.4319 -3.6476 -3.4649 PRESSURE: 3349000 -126.5 128.97 219.505 128.97 -12.326 82.3499 219.505 82.3489 63.8582 GPRESSURE: 3349000 -59.2127 99.3026 143.326 53.7745 -7.44358 139.464 185.021 -20.9779 101.173 PRESSAVG: 3349000 22.2862 -15.8924 1.17652 -15.8923 -9.72171 -5.78134 1.17657 -5.78137 11.0981 GPRESSAVG: 3349000 22.3848 -16.1163 0.0354321 -17.5499 -10.0889 -4.60271 0.833677 -8.2172 10.7946 TIMING: 3349000 CPU: 9706.55, 0.00293527/step Wall: 9706.55, 0.00293527/step, 1.34615 hours remaining, 210.863281 MB of memory in use. ENERGY: 3349000 758.5861 2033.9631 1939.6180 126.1805 -206021.4215 17839.1645 0.0000 0.0000 34361.8815 -148962.0277 300.0909 -183323.9092 -148864.1508 299.9498 -24.9892 11.5055 559171.6458 7.8875 7.6968 PRESSURE: 3349200 199.691 -24.3983 127.911 -24.3976 159.378 117.061 127.911 117.062 197.38 GPRESSURE: 3349200 205.093 9.00284 21.2268 -13.6704 182.426 147.442 155.329 75.2836 267.243 PRESSAVG: 3349200 -48.3209 39.8373 -3.92557 39.8373 9.75398 46.3363 -3.92558 46.3363 -10.8127 GPRESSAVG: 3349200 -49.0914 39.1993 -4.73483 40.9844 10.7159 44.2185 -2.48428 47.1066 -10.8059 TIMING: 3349200 CPU: 9707.14, 0.00291409/step Wall: 9707.14, 0.00291409/step, 1.33627 hours remaining, 210.863281 MB of memory in use. ENERGY: 3349200 746.9260 2093.6777 1956.3407 123.2638 -206258.4695 18127.9477 0.0000 0.0000 34285.7150 -148924.5985 299.4257 -183210.3135 -148835.6407 300.1027 185.4827 218.2541 559338.0152 -16.4599 -16.3938 PRESSURE: 3349400 134.212 98.852 18.6406 98.8514 -116.75 17.4213 18.6397 17.421 283.516 GPRESSURE: 3349400 210.7 56.7316 -6.7865 133.899 -67.3417 2.73867 35.358 27.3477 267.24 PRESSAVG: 3349400 -21.8485 -15.112 17.1882 -15.112 29.1148 5.75823 17.1882 5.7582 -37.9782 GPRESSAVG: 3349400 -21.7003 -14.2644 17.3768 -15.9353 28.4734 8.20414 18.896 4.69066 -37.5756 TIMING: 3349400 CPU: 9707.72, 0.00290127/step Wall: 9707.72, 0.00290127/step, 1.33023 hours remaining, 210.863281 MB of memory in use. ENERGY: 3349400 714.5261 2057.2352 1919.4127 110.0059 -206053.7391 17974.4605 0.0000 0.0000 34344.4039 -148933.6949 299.9382 -183278.0988 -148836.8604 299.9478 100.3262 136.8659 558261.0228 -10.2373 -10.2675 PRESSURE: 3349600 -16.0427 124.395 -20.4686 124.395 -68.447 71.3474 -20.4686 71.3474 25.1764 GPRESSURE: 3349600 -1.0452 98.5731 -84.9147 133.768 3.85005 4.7902 46.6924 72.1381 45.9354 PRESSAVG: 3349600 38.1554 -12.2154 -36.8104 -12.2155 -4.31759 25.7588 -36.8104 25.7588 -22.1586 GPRESSAVG: 3349600 38.1885 -15.7234 -37.2507 -10.8096 -4.05732 24.3527 -37.3027 26.2292 -22.1661 TIMING: 3349600 CPU: 9708.29, 0.00288884/step Wall: 9708.29, 0.00288884/step, 1.32437 hours remaining, 210.863281 MB of memory in use. ENERGY: 3349600 753.3231 2082.5265 1937.8254 104.8022 -206081.8613 17844.3406 0.0000 0.0000 34377.9204 -148981.1231 300.2309 -183359.0434 -148887.0548 300.0225 -19.7711 16.2467 559406.4494 3.8931 3.9884 PRESSURE: 3349800 -130.217 -19.7921 98.9278 -19.7927 124.612 64.0621 98.9273 64.0631 148.24 GPRESSURE: 3349800 -98.3917 -111.394 80.2663 -9.41022 192.243 77.6042 142.754 73.3098 146.04 PRESSAVG: 3349800 -30.4166 -26.9207 31.8304 -26.9207 -3.78718 -25.3209 31.8304 -25.321 5.31553 GPRESSAVG: 3349800 -30.4367 -22.8412 33.0809 -28.8232 -3.85011 -26.3273 29.7484 -25.0726 5.62514 TIMING: 3349800 CPU: 9708.88, 0.00292727/step Wall: 9708.88, 0.00292727/step, 1.34183 hours remaining, 210.863281 MB of memory in use. ENERGY: 3349800 726.6708 2064.0441 1932.5312 119.3638 -205877.1126 17779.0747 0.0000 0.0000 34518.1153 -148737.3127 301.4553 -183255.4280 -148642.8581 299.9532 47.5451 79.9637 558216.6616 -9.6294 -9.5539 PRESSURE: 3350000 -219.34 -21.743 -52.6145 -21.7423 -239.813 -111.921 -52.6148 -111.92 47.4652 GPRESSURE: 3350000 -134.924 -73.8649 -136.552 -21.1007 -251.738 -34.6031 36.0759 -143.267 83.0292 PRESSAVG: 3350000 -62.7511 -51.9958 11.0657 -51.9959 18.0795 -3.3026 11.0656 -3.30267 53.3732 GPRESSAVG: 3350000 -61.3163 -52.8584 8.50547 -51.5778 17.0882 -2.15439 13.9933 -3.87013 53.4581 TIMING: 3350000 CPU: 9709.46, 0.00290849/step Wall: 9709.46, 0.00290849/step, 1.33306 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3350000 761.6576 2078.6857 1983.8952 122.2604 -206054.9752 17733.6561 0.0000 0.0000 34404.4911 -148970.3291 300.4630 -183374.8202 -148888.0940 299.9202 -137.2292 -101.2109 558747.5058 2.9006 3.0767 PRESSURE: 3350200 -104.819 -60.3379 -23.7208 -60.3362 -52.4484 -32.0345 -23.7206 -32.0349 -85.0541 GPRESSURE: 3350200 -74.5447 -87.4342 -72.3372 -44.0444 -43.6402 -82.8076 -71.8893 -65.9606 -12.496 PRESSAVG: 3350200 -40.5156 -5.8967 -59.1383 -5.89683 -28.4177 72.0632 -59.1383 72.0632 39.8556 GPRESSAVG: 3350200 -40.4582 -5.11147 -57.0895 -6.91209 -29.4779 71.9117 -61.5186 71.0943 40.6977 TIMING: 3350200 CPU: 9710.04, 0.00290481/step Wall: 9710.04, 0.00290481/step, 1.33121 hours remaining, 210.863281 MB of memory in use. ENERGY: 3350200 801.0900 2091.2293 1963.9634 118.6258 -206336.8524 17997.8906 0.0000 0.0000 34485.8146 -148878.2388 301.1732 -183364.0533 -148781.7899 299.7947 -80.7739 -43.5603 557650.3761 -9.6926 -9.7462 PRESSURE: 3350400 -212.091 -136.243 -5.50351 -136.244 177.042 -11.8546 -5.50282 -11.8521 -141.499 GPRESSURE: 3350400 -154.162 -163.618 100.54 -92.8311 209.473 -30.2823 17.44 -22.3866 -133.929 PRESSAVG: 3350400 -77.479 -14.3873 -12.9395 -14.3874 101.473 -5.86104 -12.9395 -5.86101 -16.466 GPRESSAVG: 3350400 -77.6126 -14.2662 -14.4619 -12.4586 103.256 -6.46754 -11.5325 -3.20964 -17.6774 TIMING: 3350400 CPU: 9710.62, 0.00288219/step Wall: 9710.62, 0.00288219/step, 1.32068 hours remaining, 210.863281 MB of memory in use. ENERGY: 3350400 771.8481 2099.2131 1984.9278 121.8490 -206001.9387 17744.1687 0.0000 0.0000 34363.0156 -148916.9164 300.1008 -183279.9320 -148820.2091 299.6949 -58.8494 -26.2058 557297.8425 2.5093 2.6552 PRESSURE: 3350600 22.9274 -117.675 -45.8873 -117.675 -393.085 15.2486 -45.8868 15.2482 -50.9741 GPRESSURE: 3350600 73.5364 -176.133 -74.1129 -106.829 -342.221 17.3014 -34.6519 31.7652 -53.8636 PRESSAVG: 3350600 22.1585 -25.6209 3.68022 -25.6209 12.7852 -6.21352 3.68022 -6.21354 -16.9013 GPRESSAVG: 3350600 21.6428 -26.9764 4.49788 -26.3024 12.863 -7.31055 1.59691 -6.4931 -16.1012 TIMING: 3350600 CPU: 9711.2, 0.00288794/step Wall: 9711.2, 0.00288794/step, 1.32316 hours remaining, 210.863281 MB of memory in use. ENERGY: 3350600 772.7490 2107.7921 1958.0048 102.5265 -205980.7293 17562.5513 0.0000 0.0000 34506.2320 -148970.8735 301.3515 -183477.1055 -148877.7428 300.0063 -140.3773 -107.5161 557535.2429 6.0141 6.1349 PRESSURE: 3350800 -316.074 -105.912 29.3928 -105.913 -12.5333 -139.123 29.3931 -139.124 -126.193 GPRESSURE: 3350800 -277.565 -99.3543 65.3562 -109.853 18.9608 -166.132 37.3407 -221.933 -102.78 PRESSAVG: 3350800 -34.5201 14.1445 -48.0613 14.1445 17.0598 -35.0733 -48.0613 -35.0733 8.47652 GPRESSAVG: 3350800 -33.8193 13.4596 -46.671 15.0735 15.6781 -34.8943 -47.7387 -35.1947 8.60428 TIMING: 3350800 CPU: 9711.78, 0.00289645/step Wall: 9711.78, 0.00289645/step, 1.3269 hours remaining, 210.863281 MB of memory in use. ENERGY: 3350800 728.9534 2112.3026 1944.7257 101.9666 -205894.8195 17549.4265 0.0000 0.0000 34379.0266 -149078.4181 300.2406 -183457.4447 -148987.0299 300.0959 -151.5999 -120.4614 559136.0309 -2.9946 -3.1790 PRESSURE: 3351000 5.91554 -18.307 26.0527 -18.306 88.0102 37.124 26.053 37.1233 -202.101 GPRESSURE: 3351000 -9.34621 -21.1411 45.821 83.2246 123.15 -14.1955 27.938 -12.0221 -123.191 PRESSAVG: 3351000 52.2829 28.2528 19.7532 28.2528 -26.1061 -69.5418 19.7531 -69.5418 9.7845 GPRESSAVG: 3351000 51.6403 26.5389 17.9601 28.4542 -23.7616 -67.7925 21.4688 -71.3716 8.59065 TIMING: 3351000 CPU: 9712.36, 0.00290549/step Wall: 9712.36, 0.00290549/step, 1.33087 hours remaining, 210.863281 MB of memory in use. ENERGY: 3351000 741.3128 2067.3535 1949.6884 111.5217 -206082.6557 17976.8504 0.0000 0.0000 34185.9305 -149049.9983 298.5542 -183235.9288 -148955.1381 299.7901 -36.0585 -3.1290 557818.4317 11.9871 12.1564 PRESSURE: 3351200 29.8987 168.38 -16.3744 168.38 -166.317 73.9721 -16.3758 73.9712 -70.2638 GPRESSURE: 3351200 55.4528 129.565 -20.0309 189.345 -177.391 121.552 -68.2541 5.17388 3.41169 PRESSAVG: 3351200 2.1457 7.19462 -34.2356 7.19456 19.9801 -23.7905 -34.2357 -23.7904 -50.3317 GPRESSAVG: 3351200 1.27773 8.65813 -32.9299 6.33351 19.2369 -24.2941 -34.5306 -22.7693 -48.9917 TIMING: 3351200 CPU: 9712.94, 0.00290502/step Wall: 9712.94, 0.00290502/step, 1.3305 hours remaining, 210.863281 MB of memory in use. ENERGY: 3351200 765.2222 2137.2907 1941.3184 121.1799 -205478.3621 17493.3298 0.0000 0.0000 33945.6638 -149074.3571 296.4559 -183020.0210 -148979.4758 299.0559 -68.8942 -39.5089 556887.5438 -9.4020 -9.4923 PRESSURE: 3351400 175.755 43.7643 9.97758 43.7638 113.697 -16.3952 9.9764 -16.3962 -57.4169 GPRESSURE: 3351400 139.954 11.7024 28.1878 101.109 105.352 65.5271 13.7718 -137.236 84.528 PRESSAVG: 3351400 21.2957 -2.00552 -25.1799 -2.0056 36.9764 -75.3976 -25.18 -75.3975 -3.18444 GPRESSAVG: 3351400 22.3104 -3.27388 -24.0693 -0.222217 37.0113 -77.1518 -25.6326 -75.3644 -3.76255 TIMING: 3351400 CPU: 9713.52, 0.00293081/step Wall: 9713.52, 0.00293081/step, 1.34215 hours remaining, 210.863281 MB of memory in use. ENERGY: 3351400 721.4054 2126.0667 1964.4905 112.2050 -206209.6076 17868.7372 0.0000 0.0000 34098.4245 -149318.2784 297.7900 -183416.7029 -149223.8504 298.9261 77.3451 109.9446 556638.6980 18.3625 18.5197 PRESSURE: 3351600 22.5455 -162.123 79.3616 -162.124 79.2416 -124.559 79.3627 -124.56 -62.6785 GPRESSURE: 3351600 37.4082 -71.4812 29.5596 -141.846 95.9406 -121.714 84.0315 -125.481 2.45194 PRESSAVG: 3351600 5.69629 -1.32098 33.2385 -1.32102 -16.6438 -20.0888 33.2384 -20.0889 23.5177 GPRESSAVG: 3351600 5.48882 -1.79572 31.1287 -1.35696 -16.8612 -17.5148 33.08 -19.9006 23.5106 TIMING: 3351600 CPU: 9714.1, 0.00288121/step Wall: 9714.1, 0.00288121/step, 1.31928 hours remaining, 210.863281 MB of memory in use. ENERGY: 3351600 708.8130 2104.9576 1954.3970 130.0652 -206457.9214 17911.8981 0.0000 0.0000 34043.2604 -149604.5301 297.3083 -183647.7906 -149512.9236 298.4950 13.0362 45.2669 556563.9153 4.1901 4.0461 PRESSURE: 3351800 233.123 -13.3425 39.5784 -13.3433 -73.5302 -49.1475 39.5793 -49.1468 348.76 GPRESSURE: 3351800 225.268 -27.4496 0.580302 0.527286 9.60817 -70.6518 114.021 -22.4423 383.811 PRESSAVG: 3351800 -17.0828 -18.4387 48.0968 -18.4388 -8.28792 -26.7411 48.0969 -26.741 50.1187 GPRESSAVG: 3351800 -16.9586 -16.4909 49.5722 -20.42 -7.02209 -27.5277 49.1268 -27.3602 49.5742 TIMING: 3351800 CPU: 9714.68, 0.00287725/step Wall: 9714.68, 0.00287725/step, 1.3173 hours remaining, 210.863281 MB of memory in use. ENERGY: 3351800 700.0106 2093.7448 1925.2618 111.1021 -206527.1284 17913.9060 0.0000 0.0000 34241.1605 -149541.9426 299.0366 -183783.1030 -149443.4590 298.6436 169.4510 206.2291 556791.0307 8.2493 8.5312 PRESSURE: 3352000 237.782 -8.6038 86.9495 -8.60302 46.7004 43.5803 86.9492 43.5811 70.9752 GPRESSURE: 3352000 263.317 -45.6933 91.2186 -61.7765 54.216 -2.8753 135.172 120.14 138.385 PRESSAVG: 3352000 71.9765 19.0661 32.3456 19.0661 -18.5279 -46.5443 32.3455 -46.5443 -31.1243 GPRESSAVG: 3352000 73.8734 17.1354 30.3653 20.7816 -20.2215 -46.9061 32.8282 -45.5694 -31.3782 TIMING: 3352000 CPU: 9715.25, 0.00287311/step Wall: 9715.25, 0.00287311/step, 1.31525 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3352000 763.6249 2115.6025 1933.5562 102.8471 -206567.7354 18081.8722 0.0000 0.0000 34262.9255 -149307.3070 299.2267 -183570.2325 -149207.7042 298.7634 118.4859 151.9726 557156.2664 7.4415 7.4246 PRESSURE: 3352200 -17.2366 142.812 -226.868 142.813 -65.4314 98.6393 -226.869 98.6382 -206.179 GPRESSURE: 3352200 40.2965 137.563 -219.195 212.609 -78.5704 156.462 -203.488 73.6311 -147.969 PRESSAVG: 3352200 33.806 87.1241 -1.02022 87.124 22.999 18.526 -1.02034 18.526 -14.3286 GPRESSAVG: 3352200 32.1144 87.9829 1.04532 86.3192 24.4053 18.8766 -1.36351 16.6677 -13.3705 TIMING: 3352200 CPU: 9715.83, 0.00287462/step Wall: 9715.83, 0.00287461/step, 1.31578 hours remaining, 210.863281 MB of memory in use. ENERGY: 3352200 793.0817 2107.3508 1963.6215 111.7977 -206201.1574 17854.0638 0.0000 0.0000 33943.2455 -149427.9964 296.4348 -183371.2419 -149329.2044 298.9830 -96.2824 -62.0811 557668.9622 14.1588 14.3831 LDB: ============= START OF LOAD BALANCING ============== 9719.21 LDB: ============== END OF LOAD BALANCING =============== 9719.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9719.21 LDB: ============= START OF LOAD BALANCING ============== 9719.5 LDB: Largest compute 4792 load 0.023870 is 20.2% of average load 0.117977 LDB: Average compute 0.001728 is 1.5% of average load 0.117977 LDB: TIME 9719.5 LOAD: AVG 0.117977 MAX 0.178521 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 9719.5 LOAD: AVG 0.117977 MAX 0.178521 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.637 MB LDB: TIME 9719.5 LOAD: AVG 0.117977 MAX 0.178521 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9719.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9719.51 PRESSURE: 3352400 347.023 -12.8264 -85.9582 -12.8255 37.6319 -154.858 -85.958 -154.857 113.117 GPRESSURE: 3352400 368.437 -10.1122 -166.296 -12.9332 117.225 -130.531 -53.2486 -107.088 113.927 PRESSAVG: 3352400 35.1624 58.8844 -2.18668 58.8844 -11.9268 -38.6363 -2.18678 -38.6363 -27.1361 GPRESSAVG: 3352400 34.7667 59.2949 -3.26971 58.499 -11.8637 -39.3885 -2.2602 -37.7091 -26.9103 TIMING: 3352400 CPU: 9716.41, 0.00293113/step Wall: 9716.41, 0.00293113/step, 1.34148 hours remaining, 211.429688 MB of memory in use. ENERGY: 3352400 752.7932 2052.8794 1960.7111 117.4134 -206599.2996 18148.9070 0.0000 0.0000 34167.1084 -149399.4871 298.3899 -183566.5955 -149296.2419 298.6449 165.9240 199.8630 556131.2138 -1.3001 -1.3358 PRESSURE: 3352600 -57.6946 43.3774 34.7708 43.3763 195.853 29.4972 34.7701 29.4965 -66.4584 GPRESSURE: 3352600 -7.77959 -25.9108 3.46064 58.7039 223.706 92.788 80.4537 47.183 -45.954 PRESSAVG: 3352600 -49.1066 -27.0151 -51.0999 -27.0151 48.7653 -42.4392 -51.1 -42.4392 -40.2704 GPRESSAVG: 3352600 -48.7244 -25.8574 -50.6648 -26.0511 49.0822 -40.8173 -49.5482 -43.1234 -41.1277 TIMING: 3352600 CPU: 9716.99, 0.00288622/step Wall: 9716.99, 0.00288622/step, 1.32077 hours remaining, 211.632812 MB of memory in use. ENERGY: 3352600 686.5704 2091.8787 1944.9124 113.0975 -206161.1103 17700.0592 0.0000 0.0000 34323.0712 -149301.5207 299.7519 -183624.5920 -149205.6998 298.8154 23.8998 56.6576 557632.4286 -13.5372 -13.5899 PRESSURE: 3352800 -93.162 -8.26607 -48.9362 -8.26483 -279.594 -41.1872 -48.9369 -41.1877 -34.3197 GPRESSURE: 3352800 -88.8006 40.4861 -126.185 -38.4032 -201.375 5.35665 -69.9439 -182.699 -25.7024 PRESSAVG: 3352800 -35.9179 -8.7313 -62.3987 -8.73128 25.784 24.3153 -62.3987 24.3153 -31.7503 GPRESSAVG: 3352800 -36.9838 -8.85869 -62.334 -10.0499 25.538 25.0765 -63.591 24.4148 -30.4076 TIMING: 3352800 CPU: 9717.57, 0.00290605/step Wall: 9717.57, 0.00290605/step, 1.32968 hours remaining, 211.632812 MB of memory in use. ENERGY: 3352800 720.6401 2110.2137 1953.0335 96.8457 -206119.3422 17610.4328 0.0000 0.0000 34331.2229 -149296.9534 299.8231 -183628.1763 -149205.9527 299.6260 -135.6919 -105.2928 558829.3844 -13.9614 -13.9511 PRESSURE: 3353000 198.847 -75.5734 -98.3604 -75.5734 139.693 24.5352 -98.3612 24.5342 71.1772 GPRESSURE: 3353000 264.777 -3.1642 -94.5863 -88.5891 119.313 11.6728 -92.6542 34.1674 131.856 PRESSAVG: 3353000 -51.0898 -16.1797 -16.0989 -16.1796 9.84798 -13.8992 -16.099 -13.8992 37.9167 GPRESSAVG: 3353000 -50.2417 -16.6519 -16.2876 -14.6109 8.94341 -14.8627 -15.7759 -13.8023 38.5805 TIMING: 3353000 CPU: 9718.16, 0.00292843/step Wall: 9718.16, 0.00292843/step, 1.33976 hours remaining, 211.632812 MB of memory in use. ENERGY: 3353000 745.7502 2124.9108 1942.6986 129.8426 -206423.2952 17933.1283 0.0000 0.0000 34375.1520 -149171.8125 300.2068 -183546.9645 -149082.7306 299.7920 136.5726 171.9823 557977.2731 -1.1084 -0.9059 PRESSURE: 3353200 -80.8774 -55.1743 -19.3466 -55.1722 146.289 19.2747 -19.3479 19.2744 46.3037 GPRESSURE: 3353200 -63.6694 0.656535 -33.8154 -124.729 177.717 29.7364 -42.4342 24.2342 88.5738 PRESSAVG: 3353200 -84.5087 16.5327 20.322 16.5329 51.4276 -24.6527 20.322 -24.6527 -19.633 GPRESSAVG: 3353200 -84.1061 17.6034 21.5248 16.7393 52.6068 -24.8338 18.4393 -23.4202 -20.6688 TIMING: 3353200 CPU: 9718.74, 0.00293732/step Wall: 9718.74, 0.00293732/step, 1.34366 hours remaining, 211.632812 MB of memory in use. ENERGY: 3353200 779.5346 2079.4075 1922.8117 113.3993 -206377.5160 18075.0605 0.0000 0.0000 34253.3604 -149153.9419 299.1431 -183407.3023 -149054.7533 299.0400 37.2383 67.5406 558764.6247 -17.5714 -17.3894 PRESSURE: 3353400 -39.4376 6.4037 -45.2267 6.40345 95.6307 25.4396 -45.2264 25.4404 199.213 GPRESSURE: 3353400 -56.5888 -70.504 -94.6674 -4.45904 87.3559 89.3526 -49.9948 9.23615 327.761 PRESSAVG: 3353400 -57.443 -48.2762 -29.1915 -48.2762 103.286 11.8577 -29.1915 11.8576 -48.0467 GPRESSAVG: 3353400 -56.8276 -49.9998 -32.8466 -50.2516 103.09 11.8937 -26.5437 11.6485 -48.2499 TIMING: 3353400 CPU: 9719.33, 0.00293565/step Wall: 9719.33, 0.00293565/step, 1.34273 hours remaining, 211.632812 MB of memory in use. ENERGY: 3353400 737.2162 2121.7182 1953.7106 111.7649 -206128.9317 17789.0885 0.0000 0.0000 34199.3761 -149216.0571 298.6717 -183415.4332 -149119.7410 299.9692 85.1352 119.5093 557295.9338 -0.7346 -0.6627 PRESSURE: 3353600 -80.0495 54.0087 -39.5817 54.0089 -7.48767 -105.864 -39.5817 -105.863 -222.82 GPRESSURE: 3353600 -74.2962 80.2414 -129.544 62.3753 46.6039 -78.6347 12.4664 -49.6159 -171.398 PRESSAVG: 3353600 -77.9197 69.1404 -24.5123 69.1405 26.8563 4.2475 -24.5123 4.24751 36.1537 GPRESSAVG: 3353600 -78.6893 68.5314 -22.6995 70.8737 27.1495 4.82957 -26.309 4.28924 36.4347 TIMING: 3353600 CPU: 9719.91, 0.00291869/step Wall: 9719.91, 0.00291869/step, 1.33481 hours remaining, 211.632812 MB of memory in use. ENERGY: 3353600 780.1474 2061.0021 1956.5775 118.0992 -206268.7222 17772.6810 0.0000 0.0000 34116.0336 -149464.1813 297.9438 -183580.2149 -149366.3699 298.7966 -103.4525 -66.3635 556984.5277 -4.9699 -5.0350 PRESSURE: 3353800 106.415 73.2242 -61.6061 73.2232 238.274 28.8138 -61.6057 28.8125 -27.8888 GPRESSURE: 3353800 123.079 109.473 -65.4484 67.9428 248.722 33.6006 -24.4622 14.1814 39.448 PRESSAVG: 3353800 -3.57801 -1.53265 20.3186 -1.53267 -34.1047 29.1064 20.3186 29.1064 16.5983 GPRESSAVG: 3353800 -3.11071 0.413883 20.6598 -2.15639 -34.5306 28.5289 20.6397 29.5216 16.7602 TIMING: 3353800 CPU: 9720.49, 0.00290011/step Wall: 9720.49, 0.00290011/step, 1.32615 hours remaining, 211.632812 MB of memory in use. ENERGY: 3353800 731.6023 2048.0674 1953.5057 104.2067 -206302.0487 17895.8509 0.0000 0.0000 34068.5908 -149500.2248 297.5295 -183568.8156 -149403.7906 298.2438 105.6000 137.0830 556314.7773 -7.0281 -6.9604 PRESSURE: 3354000 8.5734 115.283 67.5307 115.285 -132.466 10.0683 67.5304 10.0686 9.31727 GPRESSURE: 3354000 60.7147 114.365 61.8744 79.7393 -101.056 58.8196 87.9645 38.7573 28.2799 PRESSAVG: 3354000 40.1597 51.5124 -23.8561 51.5124 -19.0321 -13.7394 -23.8561 -13.7392 14.5774 GPRESSAVG: 3354000 41.2188 49.6371 -24.4025 52.9273 -18.1346 -14.7426 -22.5966 -12.9317 12.9653 TIMING: 3354000 CPU: 9721.08, 0.00291244/step Wall: 9721.08, 0.00291244/step, 1.33163 hours remaining, 211.632812 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: 3354000 780.6988 2110.9411 1953.3291 110.3609 -206374.4885 17826.0169 0.0000 0.0000 34100.9172 -149492.2244 297.8118 -183593.1416 -149398.9783 298.3432 -38.1918 -4.0205 556042.0606 11.9017 12.0165 PRESSURE: 3354200 -104.226 -125.296 -107.585 -125.296 -11.8657 39.39 -107.586 39.3903 114.99 GPRESSURE: 3354200 -7.21392 -87.9492 -149.181 -162.408 3.88112 -9.13123 -58.6727 13.1945 115.749 PRESSAVG: 3354200 54.4636 -4.19221 9.79492 -4.19218 50.8573 32.7201 9.79493 32.72 -78.5195 GPRESSAVG: 3354200 54.4451 -2.5412 11.4157 -5.5854 50.9629 32.353 10.48 31.8165 -78.4852 TIMING: 3354200 CPU: 9721.66, 0.00290601/step Wall: 9721.66, 0.00290601/step, 1.32853 hours remaining, 211.632812 MB of memory in use. ENERGY: 3354200 742.4064 2104.0514 1938.8636 100.6209 -206242.4354 17742.9177 0.0000 0.0000 33958.4260 -149655.1494 296.5674 -183613.5754 -149558.1951 298.1018 -0.3673 37.4721 555427.1563 8.9338 8.9743 PRESSURE: 3354400 -33.6249 63.6343 -102.561 63.6349 23.4556 117.165 -102.562 117.166 -315.597 GPRESSURE: 3354400 -58.511 32.2701 -113.409 140.355 130.406 111.495 -9.23145 92.5741 -296.809 PRESSAVG: 3354400 -14.9851 2.83931 16.57 2.83939 29.4396 -9.23511 16.57 -9.23504 -40.9129 GPRESSAVG: 3354400 -16.1373 2.15435 16.647 2.52688 30.0924 -9.16784 13.7136 -6.53427 -40.8719 TIMING: 3354400 CPU: 9722.24, 0.00290161/step Wall: 9722.24, 0.00290161/step, 1.32636 hours remaining, 211.632812 MB of memory in use. ENERGY: 3354400 750.6439 2063.3661 1939.2816 112.0231 -206370.7382 17834.9908 0.0000 0.0000 34099.0476 -149571.3851 297.7955 -183670.4328 -149472.2235 298.0581 -108.5888 -74.9712 557464.8263 -8.8195 -8.9723 PRESSURE: 3354600 86.2861 49.7286 12.3887 49.7302 -48.3116 122.621 12.3891 122.621 -129.307 GPRESSURE: 3354600 117.467 49.1738 16.6464 84.2132 -43.3611 105.026 46.5019 85.8053 -64.3424 PRESSAVG: 3354600 57.6031 2.82644 40.8953 2.82654 14.588 27.3056 40.8953 27.3058 -69.5293 GPRESSAVG: 3354600 56.7917 3.76646 39.2732 2.52973 14.2216 30.6171 41.9906 25.1308 -68.568 TIMING: 3354600 CPU: 9722.82, 0.00288592/step Wall: 9722.82, 0.00288592/step, 1.31903 hours remaining, 211.632812 MB of memory in use. ENERGY: 3354600 716.7466 2131.4035 1922.5344 99.5735 -206509.5864 17928.4532 0.0000 0.0000 34360.7062 -149350.1690 300.0806 -183710.8751 -149263.5661 298.9652 -30.4443 3.2545 557290.0744 0.8873 0.8151 PRESSURE: 3354800 -147.412 -42.2301 112.16 -42.2315 -40.0459 57.8563 112.16 57.8587 -58.0887 GPRESSURE: 3354800 -81.8471 -54.3565 57.284 -59.6901 -6.96576 15.2543 186.371 118.51 -51.6364 PRESSAVG: 3354800 1.834 -19.8075 33.2948 -19.8075 26.1047 41.8199 33.2948 41.8199 -61.432 GPRESSAVG: 3354800 2.01555 -23.664 32.705 -18.9782 26.0898 39.5388 34.5092 43.9094 -61.8633 TIMING: 3354800 CPU: 9723.39, 0.0028922/step Wall: 9723.39, 0.0028922/step, 1.32173 hours remaining, 211.632812 MB of memory in use. ENERGY: 3354800 709.3101 2050.9606 1954.1481 102.5707 -206193.2812 17673.3762 0.0000 0.0000 34371.0871 -149331.8284 300.1713 -183702.9155 -149235.6667 298.8970 -81.8488 -46.8164 558039.2792 -11.1644 -11.2526 PRESSURE: 3355000 44.3358 -168.951 11.9731 -168.951 -37.5171 -154.141 11.9731 -154.141 -171.804 GPRESSURE: 3355000 65.0851 -198.779 -26.8244 -159.412 -21.0949 -158.86 -23.6304 -115.938 -126.696 PRESSAVG: 3355000 40.8861 -9.52919 0.646074 -9.52918 4.75495 44.6048 0.646097 44.6049 -68.7833 GPRESSAVG: 3355000 40.7681 -5.26598 1.67505 -13.29 5.13612 45.6827 -0.918567 42.6288 -69.1152 TIMING: 3355000 CPU: 9723.98, 0.00291347/step Wall: 9723.98, 0.00291347/step, 1.33129 hours remaining, 211.632812 MB of memory in use. ENERGY: 3355000 737.6135 2088.4637 1966.1106 115.8703 -205746.1401 17615.8682 0.0000 0.0000 34028.8652 -149193.3486 297.1825 -183222.2138 -149104.5143 299.1267 -54.9952 -27.5685 559770.3376 -7.7141 -7.7370 PRESSURE: 3355200 -263.296 -17.78 -88.8383 -17.7796 -259.362 -130.249 -88.8386 -130.25 -70.4743 GPRESSURE: 3355200 -236.656 38.6871 -135.688 -146.507 -178.455 8.74324 -50.7539 -215.476 -82.8356 PRESSAVG: 3355200 58.5029 14.9459 -60.1161 14.9459 -33.1697 -11.4198 -60.1161 -11.4199 -6.69774 GPRESSAVG: 3355200 58.9977 12.7427 -61.436 18.9845 -33.2911 -11.5105 -59.0538 -12.036 -6.89913 TIMING: 3355200 CPU: 9724.56, 0.00293693/step Wall: 9724.56, 0.00293693/step, 1.34185 hours remaining, 211.632812 MB of memory in use. ENERGY: 3355200 733.9979 2074.8675 1982.0187 118.0792 -206254.2317 17655.8670 0.0000 0.0000 34405.6530 -149283.7483 300.4731 -183689.4013 -149182.4712 299.0952 -197.7107 -165.9824 557950.7918 6.2118 6.2691 PRESSURE: 3355400 -8.66256 -119.611 -158.835 -119.611 49.9472 -171.915 -158.836 -171.914 38.5716 GPRESSURE: 3355400 17.8881 -213.685 -107.571 -67.429 109.134 -145.851 -77.8651 -240.063 48.0211 PRESSAVG: 3355400 -39.3466 2.82566 -24.1008 2.82559 7.30434 -83.8181 -24.1008 -83.8182 28.9811 GPRESSAVG: 3355400 -40.5194 3.25771 -22.5161 1.89962 7.855 -83.6311 -24.2393 -83.3961 29.1303 TIMING: 3355400 CPU: 9725.15, 0.00291714/step Wall: 9725.15, 0.00291714/step, 1.33265 hours remaining, 211.632812 MB of memory in use. ENERGY: 3355400 706.8411 2101.9570 1930.9028 108.7653 -206294.8641 17764.7726 0.0000 0.0000 34525.3314 -149156.2939 301.5183 -183681.6254 -149060.8498 299.8009 26.6188 58.3478 558191.1684 -1.0204 -1.1781 PRESSURE: 3355600 -17.971 63.0172 202.753 63.0172 53.3094 -43.309 202.753 -43.3083 -105.863 GPRESSURE: 3355600 -9.8406 21.5506 141.563 48.6196 50.9023 16.3401 96.6123 -63.5708 -6.16454 PRESSAVG: 3355600 17.4601 -30.5291 -28.3973 -30.5291 31.5749 -44.7156 -28.3972 -44.7156 -43.9575 GPRESSAVG: 3355600 17.7109 -29.5896 -28.2901 -33.6764 30.7066 -44.3821 -28.9652 -44.8972 -42.8867 TIMING: 3355600 CPU: 9725.73, 0.00290987/step Wall: 9725.73, 0.00290987/step, 1.32916 hours remaining, 211.632812 MB of memory in use. ENERGY: 3355600 769.9213 2070.3439 1940.1023 127.4990 -206224.0215 17897.3967 0.0000 0.0000 34357.2378 -149061.5205 300.0503 -183418.7583 -148966.8651 299.9087 -23.5082 11.6324 558514.5206 1.6925 1.8436 PRESSURE: 3355800 72.5434 199.018 56.7841 199.017 11.6846 28.3891 56.7852 28.3915 204.045 GPRESSURE: 3355800 116.691 239.385 34.1134 163.268 34.9268 26.3902 57.5896 -32.316 226.037 PRESSAVG: 3355800 -49.8475 29.7894 7.52823 29.7894 -8.28804 -18.6915 7.52822 -18.6915 32.0255 GPRESSAVG: 3355800 -48.4082 29.6707 5.20935 32.6229 -8.96664 -20.4392 9.61333 -19.5615 31.8201 TIMING: 3355800 CPU: 9726.31, 0.00289457/step Wall: 9726.31, 0.00289457/step, 1.32202 hours remaining, 211.632812 MB of memory in use. ENERGY: 3355800 736.1051 2102.2620 1953.0043 112.7467 -205815.9240 17630.5731 0.0000 0.0000 34394.0672 -148887.1655 300.3719 -183281.2328 -148794.3297 299.6291 96.0911 125.8849 555617.8504 -8.7033 -8.5183 PRESSURE: 3356000 -36.0274 -21.3211 48.3476 -21.3225 88.4231 -63.0781 48.3474 -63.0788 199.474 GPRESSURE: 3356000 28.9934 -71.8987 21.254 16.1831 92.6913 -110.334 -61.5487 -91.4465 210.971 PRESSAVG: 3356000 -22.9534 47.0129 10.5451 47.013 -13.7209 9.33612 10.5452 9.33608 51.8999 GPRESSAVG: 3356000 -23.5712 46.2118 12.3433 47.3475 -13.543 10.4543 9.56171 10.2476 51.8644 TIMING: 3356000 CPU: 9726.89, 0.00289498/step Wall: 9726.89, 0.00289498/step, 1.32204 hours remaining, 211.632812 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: 3356000 774.5985 2074.8284 1938.5230 117.9898 -205789.6904 17808.7400 0.0000 0.0000 34334.5292 -148740.4816 299.8520 -183075.0108 -148648.8665 300.0988 83.9567 110.8851 556340.7700 5.0752 4.9168 PRESSURE: 3356200 99.2694 127.43 12.8803 127.429 -32.2284 -1.2744 12.8811 -1.27448 135.453 GPRESSURE: 3356200 134.987 94.3979 8.03374 145.814 -28.7726 57.983 57.2345 -3.75865 194.034 PRESSAVG: 3356200 -91.4398 27.2147 -1.1293 27.2148 43.8209 33.4847 -1.12942 33.4847 39.6226 GPRESSAVG: 3356200 -91.373 27.4295 -2.01764 26.9012 43.2772 32.9626 -0.504059 32.3785 40.3352 TIMING: 3356200 CPU: 9727.46, 0.0028866/step Wall: 9727.46, 0.0028866/step, 1.31805 hours remaining, 211.632812 MB of memory in use. ENERGY: 3356200 724.5588 2136.6916 1960.1683 111.6026 -205892.4643 17905.7946 0.0000 0.0000 34257.4416 -148796.2068 299.1788 -183053.6484 -148698.5517 299.2364 67.4979 100.0829 558306.4720 -2.6655 -2.5869 LDB: ============= START OF LOAD BALANCING ============== 9730.85 LDB: ============== END OF LOAD BALANCING =============== 9730.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9730.85 LDB: ============= START OF LOAD BALANCING ============== 9731.15 LDB: Largest compute 4772 load 0.023798 is 20.2% of average load 0.117861 LDB: Average compute 0.001724 is 1.5% of average load 0.117861 LDB: TIME 9731.15 LOAD: AVG 0.117861 MAX 0.179782 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 9731.15 LOAD: AVG 0.117861 MAX 0.179782 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.699 MB LDB: TIME 9731.15 LOAD: AVG 0.117861 MAX 0.179782 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9731.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9731.16 PRESSURE: 3356400 -24.2899 35.0835 -238.125 35.0834 -30.9112 116.596 -238.126 116.596 -41.5255 GPRESSURE: 3356400 -54.2485 56.8156 -73.1224 33.8643 23.4935 99.7235 -339.431 75.157 39.2188 PRESSAVG: 3356400 -28.5285 46.7384 -47.3766 46.7384 34.0209 -30.8131 -47.3766 -30.813 -1.7534 GPRESSAVG: 3356400 -28.6695 48.077 -47.7405 45.4244 34.8027 -32.4171 -50.0316 -30.1565 -1.575 TIMING: 3356400 CPU: 9728.06, 0.00297387/step Wall: 9728.06, 0.00297387/step, 1.35774 hours remaining, 211.691406 MB of memory in use. ENERGY: 3356400 735.4498 2087.1400 1964.1609 105.5564 -205766.7909 17540.4796 0.0000 0.0000 34540.9313 -148793.0729 301.6545 -183334.0043 -148691.6262 300.5919 -32.2422 2.8213 556971.5066 1.2463 1.5194 PRESSURE: 3356600 -28.6232 -109.11 91.1575 -109.109 205.348 -5.81503 91.158 -5.81292 -405.496 GPRESSURE: 3356600 -1.1003 -72.0411 6.09665 -62.6485 262.072 -4.53037 155.961 26.029 -394.756 PRESSAVG: 3356600 -37.4648 18.0348 -51.8456 18.0348 20.0442 -11.5224 -51.8456 -11.5222 34.5287 GPRESSAVG: 3356600 -36.1415 17.274 -51.5245 18.6037 19.7816 -9.13699 -49.7784 -13.0488 33.7411 TIMING: 3356600 CPU: 9728.64, 0.00291412/step Wall: 9728.64, 0.00291412/step, 1.33029 hours remaining, 212.152344 MB of memory in use. ENERGY: 3356600 780.0400 2117.6685 1944.0649 105.5583 -205642.5568 17621.4505 0.0000 0.0000 34316.5623 -148757.2123 299.6951 -183073.7746 -148654.1274 300.9168 -76.2571 -44.5947 557844.7013 5.7027 5.7937 PRESSURE: 3356800 87.2564 71.6372 104.54 71.6365 150.79 -48.5195 104.54 -48.5198 122.484 GPRESSURE: 3356800 136.666 70.666 36.1992 100.356 173.785 -13.686 166.081 -37.4752 146.341 PRESSAVG: 3356800 -14.3287 -26.9739 51.227 -26.9738 45.0621 28.8445 51.2271 28.8444 -56.2129 GPRESSAVG: 3356800 -15.2924 -26.3539 51.0084 -27.0544 45.7928 29.1112 51.5561 27.671 -55.7381 TIMING: 3356800 CPU: 9729.23, 0.00291874/step Wall: 9729.23, 0.00291874/step, 1.33224 hours remaining, 212.152344 MB of memory in use. ENERGY: 3356800 775.0403 2133.3635 1940.4710 120.9836 -206268.0240 18183.0370 0.0000 0.0000 34420.3060 -148694.8227 300.6011 -183115.1286 -148592.9540 299.8043 120.1769 152.2640 556770.2904 -8.4932 -8.4126 PRESSURE: 3357000 -237.879 167.038 -151.349 167.037 -257.598 -16.9491 -151.349 -16.9492 5.31281 GPRESSURE: 3357000 -192.251 169.511 -108.549 125.787 -207.463 -2.58057 -213.003 0.0976633 0.369951 PRESSAVG: 3357000 22.7739 13.5958 2.90462 13.5958 -37.7947 29.8348 2.90455 29.8348 16.4061 GPRESSAVG: 3357000 24.2643 10.473 2.08993 15.1174 -37.963 29.7995 2.965 31.4538 15.6437 TIMING: 3357000 CPU: 9729.81, 0.00293365/step Wall: 9729.81, 0.00293365/step, 1.33889 hours remaining, 212.152344 MB of memory in use. ENERGY: 3357000 779.5873 2090.7133 1966.8782 99.5962 -205583.7581 17557.3600 0.0000 0.0000 34157.2228 -148932.4004 298.3035 -183089.6231 -148833.4382 300.3335 -163.3879 -133.1148 558619.1777 0.4618 0.6483 PRESSURE: 3357200 183.946 -122.239 211.338 -122.239 252.638 -50.9431 211.338 -50.9424 30.0368 GPRESSURE: 3357200 164.072 -57.7805 127.377 -132.981 346.589 -88.9466 201.878 -113.558 51.7997 PRESSAVG: 3357200 -48.0187 20.3299 -7.1028 20.33 -7.18156 -26.4133 -7.10273 -26.4134 26.8243 GPRESSAVG: 3357200 -48.2579 25.2851 -5.37353 18.5461 -7.52675 -28.4937 -8.07753 -25.2169 28.2596 TIMING: 3357200 CPU: 9730.39, 0.00290178/step Wall: 9730.39, 0.00290178/step, 1.32418 hours remaining, 212.152344 MB of memory in use. ENERGY: 3357200 746.9948 2074.4612 1909.3830 103.4836 -206073.2510 17933.1826 0.0000 0.0000 34333.1162 -148972.6296 299.8396 -183305.7458 -148869.4577 299.5990 155.5401 187.4866 557362.9067 -9.4587 -9.1750 PRESSURE: 3357400 -89.8806 6.76611 211.246 6.76726 -151.179 -148.191 211.246 -148.192 -174.506 GPRESSURE: 3357400 -37.7441 70.7474 282.207 -87.5663 -118.71 -230.443 227.883 -111.1 -148.513 PRESSAVG: 3357400 -5.96043 12.5848 49.2368 12.5848 -1.94225 10.6723 49.2369 10.6723 17.7169 GPRESSAVG: 3357400 -6.65029 11.4135 51.4245 11.3872 -1.21356 11.9457 47.747 8.11675 17.9115 TIMING: 3357400 CPU: 9730.97, 0.00290729/step Wall: 9730.97, 0.00290729/step, 1.32653 hours remaining, 212.152344 MB of memory in use. ENERGY: 3357400 758.7940 2042.9659 1911.3763 118.8434 -205896.5585 17560.0719 0.0000 0.0000 34253.4029 -149251.1042 299.1435 -183504.5070 -149148.5632 299.1389 -138.5220 -101.6558 558394.2470 3.2714 3.3492 PRESSURE: 3357600 207.164 225.522 -140.937 225.522 201.806 -59.3994 -140.937 -59.3984 269.15 GPRESSURE: 3357600 200.109 84.5923 -115.402 270.857 230.192 -111.116 -174.782 -48.8057 337.444 PRESSAVG: 3357600 -13.3256 -20.0694 10.4699 -20.0693 60.251 -39.312 10.47 -39.312 6.30787 GPRESSAVG: 3357600 -12.7057 -22.6716 6.95802 -17.3784 58.9116 -39.7371 14.3022 -36.868 6.50595 TIMING: 3357600 CPU: 9731.55, 0.0028979/step Wall: 9731.55, 0.0028979/step, 1.32209 hours remaining, 212.152344 MB of memory in use. ENERGY: 3357600 724.1581 2060.8668 1941.2775 110.2776 -206077.9757 17924.0547 0.0000 0.0000 34370.7258 -148946.6153 300.1681 -183317.3410 -148848.8650 299.0443 226.0400 255.9151 555624.4651 17.7444 17.5706 PRESSURE: 3357800 -444.151 -86.316 53.3976 -86.3162 10.3916 73.2993 53.3982 73.3001 -106.503 GPRESSURE: 3357800 -405.736 26.0161 32.6702 -53.8476 48.6997 23.3526 55.2702 109.447 -79.0332 PRESSAVG: 3357800 8.52893 37.931 -11.8065 37.931 51.1703 58.8944 -11.8065 58.8944 7.04399 GPRESSAVG: 3357800 8.42151 40.0474 -10.1578 37.0322 51.3406 59.9232 -14.8429 56.8086 6.91028 TIMING: 3357800 CPU: 9732.13, 0.0029/step Wall: 9732.13, 0.0029/step, 1.32288 hours remaining, 212.152344 MB of memory in use. ENERGY: 3357800 757.9681 2082.1004 1890.7643 111.7743 -205732.4708 17347.1065 0.0000 0.0000 34399.2561 -149143.5011 300.4173 -183542.7572 -149041.3087 300.2961 -180.0874 -145.3566 557506.7590 22.2477 22.2241 PRESSURE: 3358000 -98.9421 -41.9105 79.314 -41.9095 -304.33 -83.2652 79.3137 -83.2653 -295.01 GPRESSURE: 3358000 -111.634 36.2024 79.2583 0.120388 -200.151 -120.935 100.183 -67.4375 -285.051 PRESSAVG: 3358000 -31.8973 15.3238 -23.6001 15.3238 44.7512 -32.2922 -23.6 -32.2921 -17.4352 GPRESSAVG: 3358000 -32.7395 13.6794 -24.2801 15.0949 46.0106 -32.7338 -22.0702 -31.6745 -18.0615 TIMING: 3358000 CPU: 9732.71, 0.00290225/step Wall: 9732.71, 0.00290225/step, 1.32375 hours remaining, 212.152344 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: 3358000 733.0336 2068.7701 1980.7750 128.5537 -205751.7539 17398.4936 0.0000 0.0000 34161.9110 -149280.2169 298.3445 -183442.1279 -149184.6487 300.3009 -232.7606 -198.9455 558415.4222 -1.5271 -1.5968 PRESSURE: 3358200 -71.8012 187.954 -22.2604 187.954 1.54529 -8.60147 -22.2597 -8.60039 58.6863 GPRESSURE: 3358200 -22.1081 206.883 -49.6902 197.445 42.7112 -12.6401 18.5787 7.9051 64.6883 PRESSAVG: 3358200 20.7135 3.40736 -25.1267 3.40743 -8.97357 -7.31848 -25.1266 -7.31832 -32.0567 GPRESSAVG: 3358200 20.8133 2.6457 -25.7536 4.31488 -9.18401 -6.95405 -23.926 -7.20761 -32.0613 TIMING: 3358200 CPU: 9733.3, 0.0029055/step Wall: 9733.3, 0.0029055/step, 1.32507 hours remaining, 212.152344 MB of memory in use. ENERGY: 3358200 733.7211 2066.1358 1947.0133 116.7174 -206235.0897 17821.2339 0.0000 0.0000 34262.3490 -149287.9191 299.2216 -183550.2681 -149191.9357 299.4043 -3.8565 28.4305 559140.6273 -6.7723 -6.8106 PRESSURE: 3358400 -409.89 -51.0582 62.4337 -51.0585 -275.311 243.518 62.4343 243.515 -253.452 GPRESSURE: 3358400 -407.607 -39.1277 26.1345 -66.1033 -260.673 55.7555 86.2843 335.572 -186.043 PRESSAVG: 3358400 -44.3279 -29.0011 18.9813 -29.0013 15.5387 43.3861 18.9812 43.386 9.35835 GPRESSAVG: 3358400 -43.3195 -29.4448 21.259 -28.3385 14.5501 41.3862 17.1561 43.6139 8.97092 TIMING: 3358400 CPU: 9733.88, 0.0029341/step Wall: 9733.88, 0.00293409/step, 1.33795 hours remaining, 212.152344 MB of memory in use. ENERGY: 3358400 756.2022 2078.8338 1942.3125 112.2657 -205389.4049 17388.4687 0.0000 0.0000 34045.1758 -149066.1462 297.3250 -183111.3220 -148969.9781 298.1460 -312.8844 -284.7743 559583.3077 -6.4770 -6.5995 PRESSURE: 3358600 158.136 47.3048 32.5322 47.3063 100.037 78.1579 32.5335 78.159 -170.954 GPRESSURE: 3358600 174.938 6.91475 17.2527 -53.3865 104.433 77.8349 -20.651 124.343 -89.2525 PRESSAVG: 3358600 37.5868 8.83313 37.128 8.83314 21.6226 38.9354 37.1281 38.9353 -45.8701 GPRESSAVG: 3358600 37.1736 10.04 36.3007 6.20711 20.6237 40.3596 38.5077 39.3328 -44.5527 TIMING: 3358600 CPU: 9734.48, 0.0029703/step Wall: 9734.48, 0.0029703/step, 1.35429 hours remaining, 212.152344 MB of memory in use. ENERGY: 3358600 707.0978 2062.6985 1982.1642 106.7003 -206431.9594 18001.3540 0.0000 0.0000 34433.4057 -149138.5389 300.7155 -183571.9447 -149042.3641 298.9864 29.0731 63.3726 557917.5838 4.4464 4.4149 PRESSURE: 3358800 45.6299 57.8845 -175.519 57.8837 -30.2212 -220.031 -175.52 -220.032 -177.549 GPRESSURE: 3358800 38.6875 69.2499 -188.262 19.5009 4.32612 -217.638 -253.902 -223.611 -95.3351 PRESSAVG: 3358800 0.850478 2.9081 52.0558 2.90804 2.76081 9.76868 52.0557 9.76882 23.0811 GPRESSAVG: 3358800 0.904294 2.5831 51.7814 5.78105 2.55628 8.70233 49.5233 8.98764 22.8795 TIMING: 3358800 CPU: 9735.06, 0.0029383/step Wall: 9735.06, 0.0029383/step, 1.33954 hours remaining, 212.152344 MB of memory in use. ENERGY: 3358800 772.0791 2092.6299 1955.9333 109.9052 -206297.1844 17749.1741 0.0000 0.0000 34377.0001 -149240.4627 300.2229 -183617.4629 -149148.8900 298.4421 -54.0468 -17.4405 558105.9343 8.8975 8.7800 PRESSURE: 3359000 -286.375 40.0661 -37.4738 40.0674 -4.14215 128.133 -37.4729 128.133 -326.043 GPRESSURE: 3359000 -274.03 78.8979 -23.3973 -29.2268 23.1961 81.336 10.2568 155.412 -264.012 PRESSAVG: 3359000 -31.385 10.0209 8.04989 10.0209 67.4585 19.1494 8.04987 19.1494 -30.3527 GPRESSAVG: 3359000 -32.4327 11.3641 6.68597 8.12307 69.3184 20.4516 9.1939 17.8547 -30.5722 TIMING: 3359000 CPU: 9735.65, 0.00291639/step Wall: 9735.65, 0.00291639/step, 1.32939 hours remaining, 212.203125 MB of memory in use. ENERGY: 3359000 729.3632 2019.7985 1937.5657 120.8215 -206197.0724 17728.0738 0.0000 0.0000 34202.0022 -149459.4475 298.6946 -183661.4497 -149353.1245 298.5298 -205.5201 -171.6154 558942.5083 1.9069 2.1045 PRESSURE: 3359200 174.488 -143.968 -107.234 -143.968 -187.443 -84.6211 -107.234 -84.6201 -96.1634 GPRESSURE: 3359200 256.012 -109.346 -111.456 -127.518 -206.556 -68.1128 -12.4705 -88.2256 -67.7232 PRESSAVG: 3359200 20.2833 29.6644 30.2605 29.6645 -19.0501 -22.1612 30.2605 -22.1612 3.31911 GPRESSAVG: 3359200 20.1544 30.4656 31.2089 31.2702 -18.7271 -24.3047 31.608 -20.7234 3.00629 TIMING: 3359200 CPU: 9736.23, 0.00292076/step Wall: 9736.23, 0.00292076/step, 1.33122 hours remaining, 212.203125 MB of memory in use. ENERGY: 3359200 742.9753 1991.7254 1960.7961 115.2626 -206492.4472 17878.0667 0.0000 0.0000 34361.0727 -149442.5484 300.0838 -183803.6211 -149354.0281 298.7562 -36.3730 -6.0889 557587.5863 1.5174 1.4779 PRESSURE: 3359400 -399.734 -168.105 46.9347 -168.104 322.854 -6.89406 46.9349 -6.89448 -59.2009 GPRESSURE: 3359400 -352.938 -124.755 41.4203 -131.616 371.077 -75.2752 102.384 -50.2952 -62.0938 PRESSAVG: 3359400 -33.2717 -24.9011 -6.21625 -24.901 16.8309 -34.455 -6.21623 -34.455 33.7775 GPRESSAVG: 3359400 -31.8938 -26.2834 -5.24603 -24.8727 15.1859 -32.4896 -6.91808 -34.4647 33.946 TIMING: 3359400 CPU: 9736.81, 0.0029012/step Wall: 9736.81, 0.0029012/step, 1.32214 hours remaining, 212.203125 MB of memory in use. ENERGY: 3359400 773.4918 2051.2051 1931.0103 114.0765 -206538.5562 17721.3838 0.0000 0.0000 34130.8946 -149816.4941 298.0736 -183947.3887 -149724.4733 298.2441 -45.3603 -14.6517 556363.7320 5.7789 5.7460 PRESSURE: 3359600 25.9185 23.2222 193.037 23.2225 -127.893 190.776 193.037 190.775 -169.162 GPRESSURE: 3359600 55.2134 -15.6585 181.765 -0.764607 -68.9024 233.457 167.867 85.8805 -160.366 PRESSAVG: 3359600 13.891 -34.3137 -26.0003 -34.3138 34.5078 24.1564 -26.0003 24.1563 -65.0936 GPRESSAVG: 3359600 13.8915 -35.877 -27.3771 -33.6377 34.8605 23.8039 -26.5331 23.7181 -65.4702 TIMING: 3359600 CPU: 9737.39, 0.00288951/step Wall: 9737.39, 0.00288951/step, 1.31665 hours remaining, 212.203125 MB of memory in use. ENERGY: 3359600 749.6271 2130.6430 1963.8344 101.6261 -206533.0139 17794.8823 0.0000 0.0000 34078.0198 -149714.3812 297.6118 -183792.4011 -149619.9231 297.7710 -90.3788 -58.0185 557223.0037 -5.5649 -5.5727 PRESSURE: 3359800 48.6166 163.425 -69.6418 163.427 -52.6337 64.9801 -69.6436 64.9797 -256.854 GPRESSURE: 3359800 9.87836 52.6371 -38.2529 235.923 -19.5562 57.5316 17.9101 143.824 -164.827 PRESSAVG: 3359800 45.8153 31.7148 0.135121 31.7148 -34.6244 -3.15318 0.135087 -3.15328 6.82328 GPRESSAVG: 3359800 44.9489 34.3517 -0.0561217 29.3073 -34.8895 -3.8203 0.951266 -2.31301 8.03597 TIMING: 3359800 CPU: 9737.97, 0.00288052/step Wall: 9737.97, 0.00288052/step, 1.3124 hours remaining, 212.203125 MB of memory in use. ENERGY: 3359800 736.0902 2114.0558 1970.9333 115.9384 -206578.3281 17725.9268 0.0000 0.0000 34184.2699 -149731.1137 298.5397 -183915.3836 -149642.2611 298.3355 -86.9571 -58.1681 557744.6811 6.0047 6.0318 PRESSURE: 3360000 -48.2841 2.89106 24.5949 2.89035 -108.592 5.03278 24.5947 5.03275 -11.3433 GPRESSURE: 3360000 -33.8996 -77.7387 95.5912 2.11322 -61.2825 -20.4767 -0.817521 34.9958 16.9056 PRESSAVG: 3360000 -28.5474 63.4551 -33.7505 63.4553 36.6774 9.39999 -33.7505 9.4 -4.32438 GPRESSAVG: 3360000 -28.1947 63.0575 -31.7331 62.6075 36.9237 9.37505 -34.6576 7.88157 -5.48588 TIMING: 3360000 CPU: 9738.54, 0.00288303/step Wall: 9738.54, 0.00288303/step, 1.31338 hours remaining, 212.203125 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: 3360000 744.9213 2120.5163 1952.7497 130.0449 -206525.8884 17795.6437 0.0000 0.0000 34158.2358 -149623.7768 298.3124 -183782.0125 -149531.0373 298.2301 -56.0733 -26.0922 557527.1380 1.2685 1.0810 PRESSURE: 3360200 -200.312 -14.4632 -39.0909 -14.4636 -52.3189 -27.863 -39.0906 -27.8635 -307.916 GPRESSURE: 3360200 -124.193 -54.5638 -103.138 83.7547 -9.13041 -23.2247 24.2849 -13.952 -319.334 PRESSAVG: 3360200 -9.1092 -15.9289 -7.62685 -15.929 51.3977 2.44805 -7.62677 2.44815 -0.234458 GPRESSAVG: 3360200 -9.75677 -16.3432 -7.45577 -14.3405 51.5844 3.61118 -6.68017 2.99491 0.143012 TIMING: 3360200 CPU: 9739.12, 0.00289196/step Wall: 9739.12, 0.00289196/step, 1.31729 hours remaining, 212.203125 MB of memory in use. ENERGY: 3360200 805.5880 2051.8970 1954.3740 120.9053 -206114.1875 17622.6353 0.0000 0.0000 34095.2803 -149463.5077 297.7626 -183558.7880 -149361.9295 298.2892 -186.8491 -150.8858 558690.4316 14.0180 13.9902 LDB: ============= START OF LOAD BALANCING ============== 9742.51 LDB: ============== END OF LOAD BALANCING =============== 9742.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9742.51 LDB: ============= START OF LOAD BALANCING ============== 9742.8 LDB: Largest compute 4772 load 0.024884 is 21.1% of average load 0.117853 LDB: Average compute 0.001727 is 1.5% of average load 0.117853 LDB: TIME 9742.8 LOAD: AVG 0.117853 MAX 0.179328 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 9742.8 LOAD: AVG 0.117853 MAX 0.179328 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.836 MB LDB: TIME 9742.8 LOAD: AVG 0.117853 MAX 0.179328 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.836 MB LDB: ============== END OF LOAD BALANCING =============== 9742.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9742.81 PRESSURE: 3360400 -131.297 39.2962 -23.978 39.2957 -156.919 -43.7933 -23.9789 -43.7943 -333.119 GPRESSURE: 3360400 -85.6309 62.788 4.23223 -63.4953 -98.8147 -10.5329 -14.6421 -98.4335 -346.57 PRESSAVG: 3360400 31.6847 30.8657 -22.9731 30.8657 -65.6088 65.6945 -22.9732 65.6944 55.2077 GPRESSAVG: 3360400 32.2526 30.0416 -25.3788 32.0566 -65.8769 66.3599 -22.4574 65.9707 55.2731 TIMING: 3360400 CPU: 9739.71, 0.00294908/step Wall: 9739.71, 0.00294908/step, 1.34314 hours remaining, 210.921875 MB of memory in use. ENERGY: 3360400 766.9159 2101.7400 1939.4834 104.8673 -206110.2724 17719.2477 0.0000 0.0000 34128.2226 -149349.7954 298.0503 -183478.0181 -149256.2227 298.9075 -207.1117 -177.0051 559381.9983 7.0945 7.2163 PRESSURE: 3360600 -105.276 -107.978 -77.8794 -107.979 -191.923 118.511 -77.8799 118.509 -34.565 GPRESSURE: 3360600 -118.188 -75.8166 -13.7581 -150.159 -141.711 95.5628 -181.299 94.9508 27.7166 PRESSAVG: 3360600 -7.61518 41.2079 -24.6964 41.2079 27.4148 -48.4126 -24.6963 -48.4126 -1.42107 GPRESSAVG: 3360600 -7.91763 41.5205 -22.4084 40.8357 27.4283 -49.8567 -24.9194 -49.0076 -1.2248 TIMING: 3360600 CPU: 9740.29, 0.00291237/step Wall: 9740.29, 0.00291237/step, 1.32626 hours remaining, 211.125000 MB of memory in use. ENERGY: 3360600 750.0806 2091.4436 1941.6492 119.8509 -206538.0543 17917.3576 0.0000 0.0000 34227.7347 -149489.9377 298.9193 -183717.6724 -149392.1168 299.3049 -110.5881 -77.3941 557277.1075 6.1262 6.0953 PRESSURE: 3360800 -16.5438 16.245 42.1818 16.2459 -179.51 -58.3229 42.182 -58.3238 23.3443 GPRESSURE: 3360800 -0.498435 -48.9627 61.0667 117.994 -163.845 -101.931 -28.0763 -102.261 86.6546 PRESSAVG: 3360800 74.8722 -17.2318 2.17565 -17.2319 -52.1279 -32.4106 2.17566 -32.4105 14.7252 GPRESSAVG: 3360800 75.9099 -16.4051 0.792524 -17.3955 -51.7409 -33.0257 2.09585 -31.5656 13.6573 TIMING: 3360800 CPU: 9740.88, 0.00291259/step Wall: 9740.88, 0.00291259/step, 1.3262 hours remaining, 211.125000 MB of memory in use. ENERGY: 3360800 778.5970 2076.6528 1979.5764 112.2755 -206113.0542 17739.0117 0.0000 0.0000 34027.8236 -149399.1172 297.1734 -183426.9408 -149301.7953 298.1081 -57.5698 -25.8964 557321.1569 12.4898 12.6088 PRESSURE: 3361000 -101.091 -150.485 13.9475 -150.485 -12.3776 117.462 13.9474 117.462 -72.5725 GPRESSURE: 3361000 -154.116 -188.519 36.5111 -73.0352 37.2499 188.22 47.8834 33.2137 18.4303 PRESSAVG: 3361000 57.2389 37.3566 -3.95128 37.3565 -9.89115 3.18622 -3.95129 3.18622 33.2741 GPRESSAVG: 3361000 56.5974 36.1169 -4.07446 39.171 -9.84988 4.59432 -2.68783 4.62178 33.5669 TIMING: 3361000 CPU: 9741.46, 0.00290909/step Wall: 9741.46, 0.00290909/step, 1.32445 hours remaining, 211.125000 MB of memory in use. ENERGY: 3361000 802.6257 2114.7068 1967.0987 107.3138 -206421.8265 17855.4430 0.0000 0.0000 34253.4132 -149321.2254 299.1436 -183574.6385 -149221.6467 298.8144 -62.0138 -32.8119 558062.1698 26.8740 26.7715 PRESSURE: 3361200 -142.965 -108.245 -178.399 -108.245 -97.4354 -54.1874 -178.399 -54.1881 -39.6462 GPRESSURE: 3361200 -104.38 -170.84 -166.616 -68.3072 -22.5504 -37.9772 -121.429 -26.9234 -39.7007 PRESSAVG: 3361200 -55.6343 -4.06828 34.7059 -4.06836 -17.4371 -23.6988 34.7058 -23.6987 20.5801 GPRESSAVG: 3361200 -56.0065 -4.74751 34.5304 -6.64697 -17.9843 -23.7323 34.8234 -24.7238 21.973 TIMING: 3361200 CPU: 9742.05, 0.00293929/step Wall: 9742.05, 0.00293929/step, 1.33803 hours remaining, 211.125000 MB of memory in use. ENERGY: 3361200 743.5096 2071.6134 1988.7426 121.7764 -206361.2957 17957.2847 0.0000 0.0000 34155.0983 -149323.2707 298.2850 -183478.3690 -149228.0650 298.7284 -93.3489 -55.5436 558238.5695 -17.4971 -17.3392 PRESSURE: 3361400 -131.05 -156.551 183.778 -156.552 36.7502 -7.16271 183.778 -7.16189 -55.0325 GPRESSURE: 3361400 -86.1287 -137.563 221.328 -83.4745 71.2142 -67.6872 231.922 -15.1653 -51.0456 PRESSAVG: 3361400 40.9014 -38.3266 11.6648 -38.3266 -63.9206 -29.0678 11.6647 -29.0678 -18.3938 GPRESSAVG: 3361400 42.001 -36.4879 11.5464 -38.5408 -64.2168 -29.374 11.041 -30.5602 -19.044 TIMING: 3361400 CPU: 9742.63, 0.00291729/step Wall: 9742.63, 0.00291729/step, 1.32785 hours remaining, 211.125000 MB of memory in use. ENERGY: 3361400 760.2830 2146.0060 1963.3246 120.1358 -206076.9181 17725.5564 0.0000 0.0000 34007.9508 -149353.6616 296.9999 -183361.6124 -149258.9680 299.0328 -49.7776 -21.9867 556933.9691 -13.8043 -13.7533 PRESSURE: 3361600 -135.411 62.4069 71.2015 62.4054 -256.623 29.8899 71.2006 29.8906 125.992 GPRESSURE: 3361600 -94.4187 126.492 120.221 51.8931 -283.599 28.4296 78.6677 -18.8842 200.258 PRESSAVG: 3361600 99.0654 48.8161 20.4412 48.8162 -73.5633 8.17721 20.4412 8.17719 9.68268 GPRESSAVG: 3361600 99.2111 46.76 21.5478 48.6183 -73.7281 7.50184 19.6405 9.17544 9.684 TIMING: 3361600 CPU: 9743.21, 0.00289586/step Wall: 9743.21, 0.00289586/step, 1.31794 hours remaining, 211.125000 MB of memory in use. ENERGY: 3361600 761.1192 2110.8427 1968.6039 111.5094 -206127.2690 17791.4857 0.0000 0.0000 34126.7343 -149256.9738 298.0373 -183383.7081 -149163.2677 297.6969 -88.6805 -59.2533 558455.2666 11.7282 11.7223 PRESSURE: 3361800 362.125 -21.67 29.629 -21.6697 -37.2768 136.219 29.6284 136.218 247.418 GPRESSURE: 3361800 408.057 -50.6155 55.2466 -19.7288 -4.45243 172.458 -70.433 4.40418 267.915 PRESSAVG: 3361800 -9.96169 15.3429 -1.44803 15.3429 35.5409 -1.0891 -1.44824 -1.08917 7.22224 GPRESSAVG: 3361800 -10.3463 16.0912 -1.36095 15.4146 34.9164 -1.9588 -0.431746 -1.95405 8.08417 TIMING: 3361800 CPU: 9743.79, 0.00290312/step Wall: 9743.79, 0.00290313/step, 1.32108 hours remaining, 211.125000 MB of memory in use. ENERGY: 3361800 757.8401 2103.7141 1953.1757 133.8511 -206818.1107 18355.5736 0.0000 0.0000 34466.2188 -149047.7373 301.0021 -183513.9561 -148951.7692 299.2406 190.7555 223.8396 559128.4464 10.9338 10.8848 PRESSURE: 3362000 -37.666 -28.4505 158.754 -28.4513 -186.671 -27.4933 158.755 -27.4933 -90.9602 GPRESSURE: 3362000 -4.66007 30.7116 174.586 -64.9457 -171.306 34.8505 190.421 -56.0602 -51.6414 PRESSAVG: 3362000 61.7447 -20.6097 -39.096 -20.6097 -65.7907 9.49022 -39.0959 9.49018 -3.15581 GPRESSAVG: 3362000 61.9478 -19.7673 -36.4081 -21.2695 -64.7128 9.94565 -40.8852 11.2401 -4.48019 TIMING: 3362000 CPU: 9744.36, 0.00286452/step Wall: 9744.36, 0.00286452/step, 1.30336 hours remaining, 211.125000 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: 3362000 785.1874 2158.3729 1949.2765 106.8164 -205957.8200 17705.9036 0.0000 0.0000 34262.3741 -148989.8891 299.2218 -183252.2632 -148893.4831 299.6743 -105.0989 -75.8691 559096.6675 -2.4006 -2.4151 PRESSURE: 3362200 -25.3535 -20.1284 50.7267 -20.1299 -21.4825 118.732 50.7271 118.732 -20.7101 GPRESSURE: 3362200 -42.5472 -48.703 51.1378 -7.99668 56.2677 -27.9402 50.2895 109.921 8.48267 PRESSAVG: 3362200 4.74947 0.971519 37.0184 0.97146 -35.6041 -4.98032 37.0184 -4.98024 31.9747 GPRESSAVG: 3362200 4.06531 -0.0572329 36.3119 1.71488 -35.0677 -3.41967 37.9446 -6.12534 32.0928 TIMING: 3362200 CPU: 9744.93, 0.00286313/step Wall: 9744.93, 0.00286313/step, 1.30256 hours remaining, 211.125000 MB of memory in use. ENERGY: 3362200 780.3837 2138.1690 1957.5706 112.6334 -206247.0670 17855.1756 0.0000 0.0000 34424.8205 -148978.3143 300.6405 -183403.1347 -148880.1939 299.9221 -22.5154 7.4011 558501.0037 0.3734 0.3635 PRESSURE: 3362400 -99.9592 -95.3152 -79.3913 -95.3154 -57.9531 -134.902 -79.3908 -134.902 -52.3477 GPRESSURE: 3362400 -103.834 -90.9884 65.0005 -95.3276 8.81012 -175.023 -159.398 -136.136 -8.08517 PRESSAVG: 3362400 16.039 21.7482 -63.2862 21.7483 -98.1122 -23.4674 -63.2862 -23.4675 35.7207 GPRESSAVG: 3362400 17.4491 20.6473 -64.7382 22.3241 -98.7161 -23.0196 -62.7323 -24.6342 35.3602 TIMING: 3362400 CPU: 9745.51, 0.00288131/step Wall: 9745.51, 0.00288131/step, 1.31067 hours remaining, 211.125000 MB of memory in use. ENERGY: 3362400 740.3577 2140.8987 1944.5640 124.6093 -205804.7933 17636.5687 0.0000 0.0000 34309.2496 -148908.5454 299.6312 -183217.7950 -148810.2229 299.8597 -70.0867 -34.3696 558849.3340 -15.4508 -15.3023 PRESSURE: 3362600 90.2006 -141.656 -57.9719 -141.657 -172.266 71.7185 -57.9701 71.7192 99.3035 GPRESSURE: 3362600 69.4829 -68.7839 -91.0193 -117.869 -97.3964 58.1801 -87.271 83.2561 146.902 PRESSAVG: 3362600 -22.9051 -52.6362 1.97174 -52.6363 -23.7685 -8.74668 1.97172 -8.74669 51.2143 GPRESSAVG: 3362600 -22.7477 -52.3444 1.48689 -51.6878 -23.4339 -10.1427 2.80778 -8.2764 51.0989 TIMING: 3362600 CPU: 9746.09, 0.00290622/step Wall: 9746.09, 0.00290622/step, 1.32184 hours remaining, 211.125000 MB of memory in use. ENERGY: 3362600 775.5485 2108.6460 1963.6934 115.5803 -206068.5786 17856.0495 0.0000 0.0000 34253.2320 -148995.8289 299.1420 -183249.0609 -148894.9192 300.1574 5.7460 39.6629 558463.3417 1.5136 1.6391 PRESSURE: 3362800 -44.172 116.15 -23.5992 116.15 131.904 -31.7627 -23.5988 -31.7626 130.473 GPRESSURE: 3362800 29.1192 123.95 41.9256 111.792 138.859 -33.0056 -58.0836 -110.162 153.515 PRESSAVG: 3362800 -30.6232 -6.92592 -56.2329 -6.92588 33.9317 -14.4793 -56.233 -14.4794 8.45994 GPRESSAVG: 3362800 -31.3029 -5.47705 -55.35 -7.04013 34.8249 -12.0169 -58.5146 -16.2219 8.38904 TIMING: 3362800 CPU: 9746.67, 0.00288971/step Wall: 9746.67, 0.00288971/step, 1.31418 hours remaining, 211.125000 MB of memory in use. ENERGY: 3362800 711.7343 2184.1261 1922.6852 104.8066 -206375.6763 17954.2909 0.0000 0.0000 34548.0392 -148949.9939 301.7166 -183498.0332 -148852.2835 299.9806 72.7352 107.1642 557693.1330 3.9228 3.9703 PRESSURE: 3363000 143.416 103.872 -108.132 103.871 -243.742 -90.375 -108.132 -90.3753 54.1342 GPRESSURE: 3363000 163.788 89.0777 -120.426 140.847 -207.041 -170.438 -138.177 -144.21 87.3915 PRESSAVG: 3363000 -43.5974 71.6432 -24.5132 71.6431 16.5604 -4.89317 -24.5132 -4.89303 3.16446 GPRESSAVG: 3363000 -41.932 71.0306 -25.6812 68.9723 15.5738 -7.55003 -21.7967 -1.93845 2.6634 TIMING: 3363000 CPU: 9747.24, 0.00286948/step Wall: 9747.24, 0.00286948/step, 1.30482 hours remaining, 211.125000 MB of memory in use. ENERGY: 3363000 741.7338 2147.1991 1943.4832 123.6314 -206072.3652 17828.6283 0.0000 0.0000 34287.0311 -149000.6584 299.4372 -183287.6895 -148903.3719 300.2008 -15.3972 14.7127 557848.0702 -7.9575 -7.8983 PRESSURE: 3363200 38.3266 102.224 -94.7285 102.224 -302.625 -0.136502 -94.7298 -0.137717 -170.554 GPRESSURE: 3363200 69.997 136.42 -87.2281 69.584 -213.768 -87.7413 -64.5699 26.3184 -172.545 PRESSAVG: 3363200 -26.6671 60.1047 -42.4218 60.1047 -3.63102 -6.85368 -42.4219 -6.85371 72.5723 GPRESSAVG: 3363200 -29.1605 60.6324 -41.8879 60.5189 -2.92181 -5.31863 -44.8506 -7.86007 73.8798 TIMING: 3363200 CPU: 9747.82, 0.00289806/step Wall: 9747.82, 0.00289806/step, 1.31765 hours remaining, 211.125000 MB of memory in use. ENERGY: 3363200 750.8664 2159.9583 1931.2566 103.2577 -206144.7777 17655.5349 0.0000 0.0000 34389.6934 -149154.2105 300.3337 -183543.9038 -149055.6463 300.4845 -144.9507 -105.4386 557665.8487 14.0914 13.9325 PRESSURE: 3363400 -187.28 26.4679 -171.318 26.4675 -16.7151 -34.8436 -171.317 -34.8436 320.745 GPRESSURE: 3363400 -136.417 -35.9771 -170.297 54.8907 -19.5211 -94.1648 -203.854 -13.4614 358.6 PRESSAVG: 3363400 -9.52965 10.0027 -25.9088 10.0026 -16.5991 -52.8175 -25.9088 -52.8176 8.45156 GPRESSAVG: 3363400 -8.57158 9.60738 -27.3137 9.90884 -18.0767 -53.4465 -25.2026 -53.0481 8.93446 TIMING: 3363400 CPU: 9748.4, 0.00289447/step Wall: 9748.4, 0.00289447/step, 1.31586 hours remaining, 211.125000 MB of memory in use. ENERGY: 3363400 730.0231 2162.1716 1915.3093 114.4018 -206300.2416 17782.2609 0.0000 0.0000 34441.7378 -149154.3371 300.7883 -183596.0749 -149051.1992 299.6264 38.9166 67.5540 557102.9317 -5.8924 -5.9046 PRESSURE: 3363600 -99.6809 56.079 -141.762 56.0786 -30.2483 -58.504 -141.763 -58.505 90.0887 GPRESSURE: 3363600 -30.7191 87.7492 -114.183 48.9158 23.4822 -87.0466 -198.849 -5.34085 64.8227 PRESSAVG: 3363600 -6.3766 46.4655 -42.7022 46.4654 -18.1859 -47.1342 -42.7023 -47.1342 -0.789781 GPRESSAVG: 3363600 -5.46228 44.2103 -42.6105 46.6819 -18.0313 -48.0717 -43.3888 -45.8481 -1.9949 TIMING: 3363600 CPU: 9748.98, 0.00289131/step Wall: 9748.98, 0.00289131/step, 1.31426 hours remaining, 211.125000 MB of memory in use. ENERGY: 3363600 772.7010 2117.1883 1951.6691 111.3040 -206096.7919 17699.9793 0.0000 0.0000 34238.7258 -149205.2244 299.0153 -183443.9502 -149110.1628 299.4350 -13.2802 19.1953 557624.2628 -8.4508 -8.4962 PRESSURE: 3363800 -179.355 33.8187 10.0711 33.8188 -136.031 -48.0171 10.072 -48.0157 279.847 GPRESSURE: 3363800 -143.081 14.6996 59.7678 -45.9533 -119.773 -193.325 -3.00538 -66.0379 335.654 PRESSAVG: 3363800 -14.1791 36.7427 15.8737 36.7426 6.00457 -38.7433 15.8737 -38.7432 7.88663 GPRESSAVG: 3363800 -15.1088 39.665 15.3872 36.2726 6.63501 -37.4075 17.3693 -41.6138 8.47305 TIMING: 3363800 CPU: 9749.56, 0.00288838/step Wall: 9749.56, 0.00288838/step, 1.31277 hours remaining, 211.125000 MB of memory in use. ENERGY: 3363800 752.9509 2136.0178 1928.7901 112.7663 -206167.4989 17790.9096 0.0000 0.0000 34409.0614 -149037.0029 300.5029 -183446.0643 -148941.2165 298.9654 -11.8467 24.2667 559043.4451 -0.0960 -0.0002 PRESSURE: 3364000 -246.381 -24.861 15.458 -24.8602 -83.0416 90.1421 15.4581 90.1436 -34.5866 GPRESSURE: 3364000 -196.846 -40.2932 -17.6991 5.84539 -3.29055 105.31 3.86679 5.47728 -80.2027 PRESSAVG: 3364000 -53.2383 49.8649 10.7435 49.8648 -51.8773 12.5523 10.7434 12.5524 96.0935 GPRESSAVG: 3364000 -52.8947 48.5274 10.9225 51.0671 -51.5397 13.4117 12.2521 13.3636 95.3319 TIMING: 3364000 CPU: 9750.14, 0.0029166/step Wall: 9750.14, 0.0029166/step, 1.32543 hours remaining, 211.125000 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: 3364000 758.7818 2167.2088 1923.2665 99.7910 -206339.5179 17886.1172 0.0000 0.0000 34208.1034 -149296.2492 298.7479 -183504.3526 -149196.2440 299.5939 -121.3364 -93.4465 560041.3407 -3.0073 -3.0341 PRESSURE: 3364200 98.3427 228.268 -67.7965 228.267 -53.4858 -125.006 -67.7965 -125.003 -193.977 GPRESSURE: 3364200 155 204.047 19.5983 185.037 -32.7313 -161.388 -101.884 -86.1361 -174.005 PRESSAVG: 3364200 7.72425 53.1594 -1.78895 53.1594 -28.7465 15.7243 -1.78896 15.7244 -7.389 GPRESSAVG: 3364200 7.10405 53.7873 -1.29364 52.3118 -29.0412 15.1756 -4.12154 18.0583 -6.93706 TIMING: 3364200 CPU: 9750.72, 0.0029117/step Wall: 9750.72, 0.0029117/step, 1.32305 hours remaining, 211.125000 MB of memory in use. ENERGY: 3364200 762.7653 2127.0330 1926.1786 115.0788 -206299.5996 17813.0994 0.0000 0.0000 34068.0204 -149487.4241 297.5245 -183555.4446 -149389.5618 298.6658 -49.7068 -17.2454 558664.2524 -9.4704 -9.6247 LDB: ============= START OF LOAD BALANCING ============== 9754.11 LDB: ============== END OF LOAD BALANCING =============== 9754.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9754.11 LDB: ============= START OF LOAD BALANCING ============== 9754.4 LDB: Largest compute 4801 load 0.022807 is 19.3% of average load 0.117980 LDB: Average compute 0.001726 is 1.5% of average load 0.117980 LDB: TIME 9754.4 LOAD: AVG 0.11798 MAX 0.179516 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 9754.4 LOAD: AVG 0.11798 MAX 0.179516 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 9754.4 LOAD: AVG 0.11798 MAX 0.179516 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9754.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9754.41 PRESSURE: 3364400 -33.2672 -78.2383 142.877 -78.2389 -120.554 -46.8875 142.877 -46.8895 142.831 GPRESSURE: 3364400 -15.7445 -27.2825 16.8818 -184.046 -81.4666 -62.1991 216.121 -86.8275 177.81 PRESSAVG: 3364400 22.6069 57.3118 -11.1371 57.3117 -59.7738 16.9856 -11.137 16.9855 37.1828 GPRESSAVG: 3364400 21.9832 57.2708 -11.7654 57.8828 -59.0639 15.4912 -10.1143 15.6916 38.063 TIMING: 3364400 CPU: 9751.31, 0.00294968/step Wall: 9751.31, 0.00294968/step, 1.34014 hours remaining, 210.351562 MB of memory in use. ENERGY: 3364400 760.3587 2181.4746 1924.8091 116.3800 -206482.7414 17929.4108 0.0000 0.0000 34040.0184 -149530.2898 297.2799 -183570.3082 -149436.9419 298.8782 -3.6633 26.8663 557375.8544 0.0053 0.3274 PRESSURE: 3364600 -151.648 135.802 59.4143 135.802 -53.1472 40.7063 59.4137 40.7072 -152.201 GPRESSURE: 3364600 -108.763 94.3074 11.7718 83.8004 -54.1595 66.2101 96.9855 -14.1244 -101.187 PRESSAVG: 3364600 -63.1717 -0.76697 18.0255 -0.76702 -19.7201 -31.957 18.0255 -31.9569 93.864 GPRESSAVG: 3364600 -62.3434 0.817529 19.3946 -1.86 -21.6628 -32.2383 18.0506 -30.7774 94.9193 TIMING: 3364600 CPU: 9751.9, 0.00291525/step Wall: 9751.9, 0.00291525/step, 1.32433 hours remaining, 210.351562 MB of memory in use. ENERGY: 3364600 783.4626 2143.0245 1932.4436 119.5803 -206398.4436 17783.0294 0.0000 0.0000 34241.1319 -149395.7712 299.0363 -183636.9032 -149293.8824 298.8270 -118.9987 -88.0365 556705.8845 3.6574 3.6377 PRESSURE: 3364800 312.488 49.3174 -3.88673 49.3192 -70.0109 -60.4334 -3.88703 -60.4319 -113.837 GPRESSURE: 3364800 326.363 -1.68342 -56.7935 -1.85382 -29.2008 -19.318 34.3625 -70.2949 -79.6085 PRESSAVG: 3364800 30.6571 -10.7342 -35.8955 -10.7342 -9.90376 -41.2313 -35.8955 -41.2313 -19.3613 GPRESSAVG: 3364800 31.3107 -13.5155 -35.201 -8.86518 -9.03456 -40.2795 -37.7159 -42.5027 -21.0135 TIMING: 3364800 CPU: 9752.47, 0.00288796/step Wall: 9752.47, 0.00288796/step, 1.31177 hours remaining, 210.351562 MB of memory in use. ENERGY: 3364800 807.0983 2182.5414 1933.9807 122.5379 -206484.7664 17785.8784 0.0000 0.0000 34453.3025 -149199.4272 300.8893 -183652.7297 -149107.2437 299.4662 42.8801 72.5178 555078.2096 0.4640 0.4209 PRESSURE: 3365000 62.7803 51.1191 -120.012 51.1193 -95.0417 145.128 -120.011 145.128 -182.644 GPRESSURE: 3365000 107.374 31.0913 -179.705 44.7549 -79.3216 118.335 -135.174 125.371 -145.946 PRESSAVG: 3365000 80.1747 24.4252 20.4482 24.4252 -7.31759 -23.2964 20.4482 -23.2965 -76.0741 GPRESSAVG: 3365000 80.2245 25.7581 18.3121 21.5833 -7.06922 -24.0695 21.0119 -22.9244 -76.436 TIMING: 3365000 CPU: 9753.05, 0.00287703/step Wall: 9753.05, 0.00287703/step, 1.30665 hours remaining, 210.351562 MB of memory in use. ENERGY: 3365000 782.7415 2153.3600 1976.5488 114.2983 -206255.3758 17701.4693 0.0000 0.0000 34285.5892 -149241.3688 299.4246 -183526.9579 -149144.2166 300.1220 -71.6353 -39.2979 555512.9790 -1.0723 -1.0936 PRESSURE: 3365200 -273.727 144.635 -156.476 144.637 -288.591 69.4059 -156.476 69.406 -154.364 GPRESSURE: 3365200 -220.061 220.669 -88.1482 89.473 -221.358 9.31271 -105.729 37.5288 -179.275 PRESSAVG: 3365200 44.6271 5.34335 -3.94425 5.34339 -3.8181 30.6053 -3.94416 30.6052 -26.9428 GPRESSAVG: 3365200 42.6904 5.52813 -4.13278 6.84435 -2.93748 30.7184 -2.41035 28.6762 -26.0113 TIMING: 3365200 CPU: 9753.63, 0.00288514/step Wall: 9753.63, 0.00288514/step, 1.31017 hours remaining, 210.351562 MB of memory in use. ENERGY: 3365200 779.1878 2116.9634 1975.0663 106.2847 -205916.0046 17443.1509 0.0000 0.0000 34319.7492 -149175.6021 299.7229 -183495.3514 -149082.5180 299.8583 -238.8940 -206.8982 557864.2046 4.6221 4.5805 PRESSURE: 3365400 234.239 -251.813 16.019 -251.812 -45.6072 36.4848 16.0188 36.4866 -270.384 GPRESSURE: 3365400 292.12 -202.24 2.23105 -294.954 -62.0931 23.5758 58.8858 -18.1896 -207.502 PRESSAVG: 3365400 52.1633 -1.31225 17.4895 -1.31226 9.2032 24.3817 17.4895 24.3817 -66.1124 GPRESSAVG: 3365400 52.5688 -0.614202 19.092 -2.29125 8.75302 25.506 14.8323 25.2228 -66.0938 TIMING: 3365400 CPU: 9754.21, 0.00289469/step Wall: 9754.21, 0.00289469/step, 1.31435 hours remaining, 210.351562 MB of memory in use. ENERGY: 3365400 761.1839 2116.9913 1949.7032 105.9415 -206490.6906 17951.4176 0.0000 0.0000 34515.7918 -149089.6614 301.4350 -183605.4532 -148997.1951 300.2036 -27.2507 7.5081 558724.3591 -1.5820 -1.5906 PRESSURE: 3365600 146.623 -18.5634 41.8679 -18.5648 -109.792 49.027 41.8691 49.0274 117.564 GPRESSURE: 3365600 180.637 -43.9816 -85.306 -28.1966 -112.837 122.413 27.7681 91.7067 186.076 PRESSAVG: 3365600 54.0256 -12.9303 -3.40627 -12.9304 -71.7113 21.6786 -3.40623 21.6788 -7.77116 GPRESSAVG: 3365600 56.305 -14.1708 -4.10114 -11.2513 -72.4155 20.781 -1.72247 23.3116 -8.74773 TIMING: 3365600 CPU: 9754.78, 0.00288089/step Wall: 9754.78, 0.00288089/step, 1.30792 hours remaining, 210.351562 MB of memory in use. ENERGY: 3365600 732.2809 2160.3291 1931.1053 115.0380 -206307.3164 17874.7887 0.0000 0.0000 34317.2545 -149176.5199 299.7011 -183493.7745 -149079.4384 299.7577 51.4652 84.6253 557534.6825 -8.4856 -8.2861 PRESSURE: 3365800 0.67649 155.485 134.178 155.486 -4.11269 51.4774 134.179 51.478 -232.456 GPRESSURE: 3365800 -17.7535 160.184 157.347 131.452 65.0916 97.6119 74.5098 16.2596 -195.668 PRESSAVG: 3365800 60.5443 -8.05726 -8.26016 -8.0573 -37.6173 16.3243 -8.26018 16.3245 -15.7741 GPRESSAVG: 3365800 59.2674 -6.99313 -9.91608 -9.45287 -37.8671 16.9499 -8.6957 13.5048 -14.0261 TIMING: 3365800 CPU: 9755.36, 0.00289628/step Wall: 9755.36, 0.00289628/step, 1.31475 hours remaining, 210.351562 MB of memory in use. ENERGY: 3365800 736.6954 2082.5091 1950.7831 111.5101 -206272.9706 17635.8467 0.0000 0.0000 34533.6920 -149221.9343 301.5913 -183755.6262 -149122.9323 299.7716 -78.6307 -49.4435 557087.4235 2.3843 2.4581 PRESSURE: 3366000 -214.779 -85.4428 58.7115 -85.4429 1.73011 51.6021 58.7104 51.6019 -321.907 GPRESSURE: 3366000 -121.073 -66.0264 76.3997 -103.049 -38.4424 83.2442 91.34 50.375 -277.103 PRESSAVG: 3366000 2.08257 -29.7048 5.11446 -29.7049 2.57603 18.185 5.11446 18.1851 -29.2798 GPRESSAVG: 3366000 2.54049 -30.653 9.69448 -29.4827 3.44316 18.687 3.71482 19.1626 -30.6782 TIMING: 3366000 CPU: 9755.94, 0.00289883/step Wall: 9755.94, 0.00289883/step, 1.31575 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3366000 753.7752 2153.9942 1918.7004 112.8077 -205997.7899 17575.8843 0.0000 0.0000 34285.5681 -149197.0599 299.4244 -183482.6280 -149104.1069 299.6867 -178.3186 -145.5397 558406.8659 -8.2071 -8.2315 PRESSURE: 3366200 -74.9612 65.9995 -80.6601 65.999 -184.279 178.986 -80.6614 178.986 -226.766 GPRESSURE: 3366200 -41.7926 56.792 -110.706 20.2305 -153.286 228.079 -77.9034 101.71 -190.323 PRESSAVG: 3366200 1.21436 -28.3367 -67.0831 -28.3367 65.9899 37.0913 -67.0832 37.0915 -65.7303 GPRESSAVG: 3366200 0.289249 -28.7714 -67.6978 -28.0451 65.5937 36.1339 -65.6642 37.0913 -64.5831 TIMING: 3366200 CPU: 9756.52, 0.00289893/step Wall: 9756.52, 0.00289893/step, 1.31563 hours remaining, 210.351562 MB of memory in use. ENERGY: 3366200 737.7592 2099.9874 1936.3712 109.5230 -206193.7121 17656.2086 0.0000 0.0000 34250.1572 -149403.7055 299.1151 -183653.8627 -149304.8365 298.8188 -162.0021 -128.4672 557345.7051 0.4913 0.4333 PRESSURE: 3366400 -98.6018 -6.17373 -121.808 -6.17253 61.758 -18.8073 -121.808 -18.8066 -153.964 GPRESSURE: 3366400 -105.038 -23.7362 -64.6273 25.9432 138.169 13.8917 -142.578 33.6557 -130.447 PRESSAVG: 3366400 -20.3169 42.8155 4.02704 42.8155 16.5618 -40.1939 4.02703 -40.194 -54.5401 GPRESSAVG: 3366400 -19.4621 42.6613 3.55578 44.5471 16.8804 -40.0102 3.31229 -38.7374 -55.1653 TIMING: 3366400 CPU: 9757.1, 0.00291633/step Wall: 9757.1, 0.00291633/step, 1.32337 hours remaining, 210.351562 MB of memory in use. ENERGY: 3366400 711.4499 2102.5925 1922.7695 107.4080 -205661.7061 17537.0059 0.0000 0.0000 34079.2640 -149201.2162 297.6227 -183280.4802 -149108.5647 298.6879 -63.6025 -32.4387 557798.6192 -19.4318 -19.2490 PRESSURE: 3366600 -146.047 5.95324 15.8327 5.9523 190.546 102.25 15.8323 102.251 -174.428 GPRESSURE: 3366600 -124.585 17.284 -62.0911 71.8479 259.904 102.098 3.10838 230.266 -161.389 PRESSAVG: 3366600 -55.5801 31.7408 -23.8729 31.7408 92.5078 -14.2205 -23.873 -14.2205 -17.7345 GPRESSAVG: 3366600 -56.2132 34.0828 -22.6631 29.7558 93.6424 -13.326 -23.655 -15.384 -18.2608 TIMING: 3366600 CPU: 9757.69, 0.00293453/step Wall: 9757.69, 0.00293453/step, 1.33146 hours remaining, 210.351562 MB of memory in use. ENERGY: 3366600 763.5175 2091.5740 1953.3751 109.9624 -206012.3512 17724.2757 0.0000 0.0000 34222.6109 -149147.0356 298.8746 -183369.6465 -149056.2207 299.0971 -43.3097 -8.6901 557846.6991 6.3977 6.3895 PRESSURE: 3366800 -58.5574 30.1031 73.5111 30.1025 -226.499 -81.119 73.5104 -81.1206 -124.445 GPRESSURE: 3366800 -27.8839 55.5713 81.1632 -13.5052 -177.338 -96.3353 151.391 -51.6805 -103.788 PRESSAVG: 3366800 -6.6684 22.3534 -43.4036 22.3535 23.5299 -38.5961 -43.4037 -38.5962 9.4306 GPRESSAVG: 3366800 -6.05008 18.2152 -45.0726 25.8911 22.2607 -39.6836 -42.2861 -37.1529 10.671 TIMING: 3366800 CPU: 9758.28, 0.00292077/step Wall: 9758.28, 0.00292077/step, 1.32506 hours remaining, 210.351562 MB of memory in use. ENERGY: 3366800 781.6869 2099.4744 1924.9962 103.1440 -206090.1310 17765.4558 0.0000 0.0000 34286.6799 -149128.6937 299.4341 -183415.3737 -149034.8910 299.4092 -136.5004 -103.0034 557609.0019 8.7640 8.9605 PRESSURE: 3367000 -151.735 82.1465 -144.87 82.1451 194.658 -7.5376 -144.869 -7.53654 54.5598 GPRESSURE: 3367000 -120.8 99.9131 -221.427 -44.2326 187.707 17.0115 -106.319 -19.889 127.61 PRESSAVG: 3367000 -19.5923 7.15105 -29.8196 7.15115 -43.9985 -65.4254 -29.8194 -65.4254 90.5113 GPRESSAVG: 3367000 -19.8553 9.09204 -29.5736 4.56228 -43.1989 -64.1644 -31.0905 -65.6131 90.0062 TIMING: 3367000 CPU: 9758.86, 0.0029168/step Wall: 9758.86, 0.0029168/step, 1.32309 hours remaining, 210.351562 MB of memory in use. ENERGY: 3367000 756.3664 2096.3798 1933.5532 109.2000 -206227.6340 17846.8140 0.0000 0.0000 34298.2565 -149187.0641 299.5352 -183485.3206 -149092.9912 299.5818 32.4941 64.8388 557489.0775 8.9735 8.9840 PRESSURE: 3367200 -48.2231 -5.32527 -32.1125 -5.32378 -228.398 -65.7184 -32.112 -65.7181 0.818233 GPRESSURE: 3367200 30.5525 41.9161 16.9672 39.5153 -209.688 -21.1572 -14.4227 -55.7314 0.764215 PRESSAVG: 3367200 7.70298 4.37035 -6.57216 4.37022 -54.2742 -100.105 -6.57216 -100.105 34.0864 GPRESSAVG: 3367200 7.77687 4.8365 -6.34152 6.2276 -53.8499 -100.158 -6.79371 -100.912 33.693 TIMING: 3367200 CPU: 9759.44, 0.00290064/step Wall: 9759.44, 0.00290064/step, 1.3156 hours remaining, 210.351562 MB of memory in use. ENERGY: 3367200 757.1400 2074.0858 1954.8326 105.7697 -205904.8897 17635.6034 0.0000 0.0000 34145.2494 -149232.2089 298.1990 -183377.4583 -149134.6215 299.2344 -91.9344 -59.4570 558254.6487 -4.1616 -4.1267 PRESSURE: 3367400 198.414 29.9745 25.7045 29.9741 88.5965 126.307 25.7054 126.307 178.946 GPRESSURE: 3367400 206.689 -18.3589 -16.8449 181.886 150.694 122.076 41.1105 -28.4619 212.617 PRESSAVG: 3367400 -14.777 27.398 -41.2351 27.398 -5.89468 -7.88077 -41.235 -7.88072 47.6359 GPRESSAVG: 3367400 -16.1241 27.9729 -43.548 26.5574 -5.65523 -7.22517 -40.0123 -7.86134 48.7259 TIMING: 3367400 CPU: 9760.02, 0.0029199/step Wall: 9760.02, 0.0029199/step, 1.32417 hours remaining, 210.351562 MB of memory in use. ENERGY: 3367400 734.5517 2113.5851 1943.2690 115.0102 -206219.1733 17805.1324 0.0000 0.0000 34300.0524 -149207.5725 299.5509 -183507.6249 -149115.7560 299.2578 155.3191 190.0002 555908.0373 8.9881 8.9822 PRESSURE: 3367600 -22.1588 -71.156 -177.372 -71.1551 -179.819 150.303 -177.374 150.303 10.2055 GPRESSURE: 3367600 -15.1309 62.7086 -118.089 -85.7181 -119.385 63.9912 -227.968 200.385 38.0907 PRESSAVG: 3367600 17.843 56.2363 -39.8053 56.2364 -21.1127 43.2542 -39.8053 43.2541 27.8361 GPRESSAVG: 3367600 18.6414 55.636 -37.733 56.0793 -20.356 42.3022 -39.9349 43.9123 26.2371 TIMING: 3367600 CPU: 9760.61, 0.00292632/step Wall: 9760.61, 0.00292632/step, 1.32692 hours remaining, 210.351562 MB of memory in use. ENERGY: 3367600 710.0178 2064.9207 1953.6686 114.0685 -206259.9969 17718.4956 0.0000 0.0000 34290.8400 -149407.9856 299.4704 -183698.8256 -149309.7478 299.0172 -63.9242 -32.1417 557808.9574 8.1888 8.1742 PRESSURE: 3367800 174.739 57.669 -80.0173 57.6687 96.9359 -19.4818 -80.0174 -19.4805 341.941 GPRESSURE: 3367800 191.45 51.3171 -98.2964 -42.1316 132.474 -84.8204 -57.889 75.9268 384.418 PRESSAVG: 3367800 -24.6644 -5.85217 -16.3239 -5.85223 -5.13101 -29.2788 -16.3239 -29.2789 0.542936 GPRESSAVG: 3367800 -23.6856 -8.36086 -16.4255 -5.39567 -5.90353 -31.4094 -17.7645 -27.389 1.04865 TIMING: 3367800 CPU: 9761.19, 0.00290037/step Wall: 9761.19, 0.00290037/step, 1.315 hours remaining, 210.351562 MB of memory in use. ENERGY: 3367800 720.4967 2117.1773 1950.5154 115.9735 -206640.6444 18113.6219 0.0000 0.0000 34103.0590 -149519.8005 297.8305 -183622.8595 -149425.9108 298.5109 204.5389 236.1138 556746.1235 -9.7508 -9.5135 PRESSURE: 3368000 235.573 -138.586 -60.6886 -138.586 30.173 50.6598 -60.6876 50.6596 -145.302 GPRESSURE: 3368000 269.764 -76.0593 -68.4023 -195.199 41.3229 -1.48803 -14.26 81.5857 -106.389 PRESSAVG: 3368000 10.2561 31.081 7.2607 31.0809 -45.0103 1.47327 7.26062 1.47329 69.1369 GPRESSAVG: 3368000 10.1099 35.2323 6.988 29.4881 -45.1717 3.87521 8.13817 0.0015021 68.7525 TIMING: 3368000 CPU: 9761.76, 0.00287918/step Wall: 9761.76, 0.00287918/step, 1.30523 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3368000 752.6758 2093.1720 1972.4383 108.0581 -206830.0629 18050.3711 0.0000 0.0000 34395.3537 -149457.9939 300.3832 -183853.3475 -149361.9054 298.0416 40.1480 68.2329 557630.5449 11.4609 11.2302 PRESSURE: 3368200 -299.185 69.5847 40.876 69.5846 -174.223 -116.495 40.8775 -116.495 -269.772 GPRESSURE: 3368200 -260.911 80.2159 -53.922 70.9152 -107.659 -159.846 46.7751 -57.8554 -274.297 PRESSAVG: 3368200 34.6617 8.67995 14.2268 8.68003 -0.862924 5.13323 14.2267 5.13337 -8.73295 GPRESSAVG: 3368200 34.2632 5.34507 14.4248 10.7123 -0.77565 5.91179 15.1457 4.06248 -8.31214 TIMING: 3368200 CPU: 9762.34, 0.00287744/step Wall: 9762.34, 0.00287744/step, 1.30428 hours remaining, 210.351562 MB of memory in use. ENERGY: 3368200 771.4619 2095.7505 1971.5358 113.0020 -206339.0960 17660.5036 0.0000 0.0000 34303.5822 -149423.2600 299.5817 -183726.8422 -149323.6332 298.5938 -247.7269 -214.2890 558946.8270 8.3553 8.3918 LDB: ============= START OF LOAD BALANCING ============== 9765.72 LDB: ============== END OF LOAD BALANCING =============== 9765.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9765.73 LDB: ============= START OF LOAD BALANCING ============== 9766.01 LDB: Largest compute 4801 load 0.023530 is 19.9% of average load 0.118035 LDB: Average compute 0.001733 is 1.5% of average load 0.118035 LDB: TIME 9766.02 LOAD: AVG 0.118035 MAX 0.178416 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.375 MB LDB: TIME 9766.02 LOAD: AVG 0.118035 MAX 0.178416 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: TIME 9766.02 LOAD: AVG 0.118035 MAX 0.178416 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: ============== END OF LOAD BALANCING =============== 9766.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9766.02 PRESSURE: 3368400 -115.342 45.2377 93.3516 45.2386 -40.5362 -183.318 93.3505 -183.318 -255.567 GPRESSURE: 3368400 -117.576 67.9655 4.70478 106.703 -22.3727 -181.64 177.5 -149.978 -182.75 PRESSAVG: 3368400 10.1138 22.0797 59.3659 22.0798 -36.7653 -55.9421 59.3659 -55.9421 10.4394 GPRESSAVG: 3368400 9.82371 22.107 59.4791 23.3521 -35.9698 -57.2359 60.4163 -54.3139 10.2895 TIMING: 3368400 CPU: 9762.93, 0.00294357/step Wall: 9762.93, 0.00294357/step, 1.33409 hours remaining, 211.632812 MB of memory in use. ENERGY: 3368400 740.4369 2086.7409 1923.0409 118.9801 -206138.6640 17721.2813 0.0000 0.0000 34048.2531 -149499.9309 297.3519 -183548.1840 -149404.3325 299.1493 -137.1484 -107.5664 558785.4526 -5.4040 -5.2855 PRESSURE: 3368600 -215.277 -71.0839 108.164 -71.0838 -60.9109 -63.5102 108.165 -63.5116 -241.071 GPRESSURE: 3368600 -211.599 -58.7049 98.4751 -93.921 -1.33001 46.9508 48.7898 -129.27 -209.69 PRESSAVG: 3368600 -1.36988 -8.38727 24.0239 -8.38719 68.9373 -15.9034 24.0239 -15.9033 -57.8346 GPRESSAVG: 3368600 -1.79641 -6.18331 24.8047 -9.8782 68.6981 -16.4446 22.4808 -16.6327 -57.3182 TIMING: 3368600 CPU: 9763.51, 0.00289706/step Wall: 9763.51, 0.00289706/step, 1.31285 hours remaining, 211.832031 MB of memory in use. ENERGY: 3368600 784.7148 2069.1153 1924.3744 109.6669 -206327.0525 17711.5744 0.0000 0.0000 34337.4822 -149390.1245 299.8778 -183727.6067 -149291.1705 298.7400 -172.4198 -140.8731 558231.0830 3.2443 3.1945 PRESSURE: 3368800 -220.313 132.544 -164.706 132.545 150.789 65.2722 -164.705 65.2728 -63.1643 GPRESSURE: 3368800 -97.9831 173.1 -126.537 54.1858 151.01 31.9325 -162.691 108.563 -88.6051 PRESSAVG: 3368800 -1.1874 50.9295 36.4254 50.9295 46.2108 5.97423 36.4254 5.97415 -45.7898 GPRESSAVG: 3368800 -0.506532 48.93 35.9317 49.8524 46.3194 6.91058 36.2708 4.80573 -46.3002 TIMING: 3368800 CPU: 9764.08, 0.00288582/step Wall: 9764.08, 0.00288582/step, 1.3076 hours remaining, 211.832031 MB of memory in use. ENERGY: 3368800 782.2907 2124.4981 1941.8125 123.5639 -206434.5345 17940.7714 0.0000 0.0000 34152.0287 -149369.5692 298.2582 -183521.5979 -149273.4027 298.3913 -44.2294 -11.8593 557001.1677 -0.2555 -0.1625 PRESSURE: 3369000 -256.352 -115.194 167.698 -115.193 -240.094 -67.5258 167.699 -67.5264 -366.023 GPRESSURE: 3369000 -214.627 -72.6811 170.901 -165.891 -236.063 -85.1685 129.705 -65.4986 -315.751 PRESSAVG: 3369000 -3.33608 6.02678 -23.2572 6.0267 -30.2193 6.92585 -23.2572 6.92585 6.69148 GPRESSAVG: 3369000 -4.40113 8.68885 -23.1853 7.30744 -30.2 5.96931 -22.7959 7.59312 8.04963 TIMING: 3369000 CPU: 9764.66, 0.00288377/step Wall: 9764.66, 0.00288377/step, 1.30651 hours remaining, 211.832031 MB of memory in use. ENERGY: 3369000 768.3246 2151.3863 1946.9834 107.8746 -206154.0438 17546.5985 0.0000 0.0000 34092.4174 -149540.4590 297.7376 -183632.8764 -149447.0554 298.5998 -287.4895 -255.4801 557632.5721 -8.9546 -8.8505 PRESSURE: 3369200 -16.0312 -55.3229 -8.03482 -55.3224 -262.463 -15.9043 -8.03312 -15.9034 18.2713 GPRESSURE: 3369200 4.74407 7.651 -47.821 -103.898 -186.502 4.51209 -16.9187 -41.0498 41.0162 PRESSAVG: 3369200 11.0504 -20.6641 22.0358 -20.6641 -36.8047 34.3852 22.0358 34.3851 -3.41489 GPRESSAVG: 3369200 12.4965 -23.2943 22.6466 -19.8739 -37.4645 34.1999 22.4791 34.7036 -4.23856 TIMING: 3369200 CPU: 9765.24, 0.00291093/step Wall: 9765.24, 0.00291093/step, 1.31865 hours remaining, 211.832031 MB of memory in use. ENERGY: 3369200 731.6240 2082.0685 1944.2042 108.6705 -206291.7387 17652.7749 0.0000 0.0000 34269.5641 -149502.8324 299.2846 -183772.3966 -149403.9470 298.3982 -86.7411 -46.9139 556288.7144 -9.7230 -9.7355 PRESSURE: 3369400 165.722 70.0892 104.18 70.0877 40.4902 89.6756 104.181 89.6766 160.727 GPRESSURE: 3369400 193.053 154.955 91.5401 61.7139 36.8716 78.6025 60.4405 170.823 229.346 PRESSAVG: 3369400 76.8555 -11.0994 20.5792 -11.0994 -47.5413 9.12189 20.5792 9.12184 -10.8857 GPRESSAVG: 3369400 75.6323 -9.56433 18.6336 -13.1982 -47.9984 9.72687 19.1161 10.8729 -9.65718 TIMING: 3369400 CPU: 9765.83, 0.00290968/step Wall: 9765.83, 0.00290968/step, 1.31792 hours remaining, 211.832031 MB of memory in use. ENERGY: 3369400 702.0506 2091.3344 1957.8758 111.6186 -206482.9985 17900.8796 0.0000 0.0000 34145.9892 -149573.2502 298.2054 -183719.2394 -149475.5789 298.4479 122.3131 153.0902 556246.7635 6.1429 5.9923 PRESSURE: 3369600 23.3402 110.59 -91.8912 110.59 -254.452 -19.558 -91.8909 -19.5586 -152.959 GPRESSURE: 3369600 55.7277 35.5367 -22.7202 97.6465 -171.288 -31.1145 -144.755 20.2977 -175.806 PRESSAVG: 3369600 11.6888 0.463613 -17.6316 0.463641 -4.44475 53.1437 -17.6316 53.1437 -2.88554 GPRESSAVG: 3369600 12.2622 0.147823 -17.2815 3.1577 -3.25293 51.2857 -16.6772 52.412 -4.21499 TIMING: 3369600 CPU: 9766.41, 0.0029095/step Wall: 9766.41, 0.0029095/step, 1.31768 hours remaining, 211.832031 MB of memory in use. ENERGY: 3369600 750.3592 2062.5065 1934.6281 108.8403 -206185.8984 17838.0404 0.0000 0.0000 33915.4392 -149576.0846 296.1920 -183491.5238 -149487.7072 298.4507 -128.0237 -97.1221 557352.1871 1.4528 1.5981 PRESSURE: 3369800 -218.297 -9.19039 -84.7246 -9.19066 -37.6327 33.4856 -84.7243 33.4873 -216.972 GPRESSURE: 3369800 -168.731 30.214 -5.40952 -10.2449 -29.8075 65.9047 -72.312 -51.8452 -177.103 PRESSAVG: 3369800 5.09325 10.4628 -49.2684 10.4627 -66.5009 -4.06076 -49.2685 -4.0607 46.2802 GPRESSAVG: 3369800 5.75079 12.6667 -47.5169 7.60031 -67.7272 -2.13412 -48.8019 -4.54355 46.8074 TIMING: 3369800 CPU: 9766.99, 0.00290447/step Wall: 9766.99, 0.00290447/step, 1.31524 hours remaining, 211.832031 MB of memory in use. ENERGY: 3369800 736.8532 2072.9125 1927.2118 121.6465 -206191.3100 17684.0347 0.0000 0.0000 34047.1782 -149601.4731 297.3425 -183648.6512 -149512.9304 298.0982 -157.6339 -125.2138 558798.8496 -5.0425 -5.0563 PRESSURE: 3370000 -24.1229 -20.5019 68.8821 -20.5003 -287.241 -79.2261 68.8828 -79.2252 24.0466 GPRESSURE: 3370000 -15.1549 -21.4267 22.3508 -8.27641 -245.526 -126.212 31.9784 -72.1048 70.0918 PRESSAVG: 3370000 -27.5481 -14.4929 -26.0008 -14.4928 35.9199 -39.5219 -26.0009 -39.5218 6.18055 GPRESSAVG: 3370000 -28.3427 -16.9091 -26.69 -13.5045 35.6813 -38.715 -26.5137 -38.1718 7.32545 TIMING: 3370000 CPU: 9767.57, 0.00291986/step Wall: 9767.57, 0.00291987/step, 1.32205 hours remaining, 211.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3370000 775.5410 2140.1017 1924.9310 114.9157 -206170.6709 17698.0257 0.0000 0.0000 34109.5197 -149407.6362 297.8869 -183517.1558 -149310.6888 298.1061 -95.7724 -63.5298 558588.6827 4.8508 4.8880 PRESSURE: 3370200 -158.682 -32.7556 80.6591 -32.7545 -236.939 149.018 80.6593 149.018 -378.233 GPRESSURE: 3370200 -118.07 -53.3243 43.207 21.8956 -217.522 74.4601 137.155 143.717 -351.124 PRESSAVG: 3370200 27.6225 -28.0081 36.7646 -28.008 -16.5881 -46.0602 36.7646 -46.0602 1.36464 GPRESSAVG: 3370200 27.394 -24.8904 37.1977 -30.7467 -16.6381 -48.3501 36.83 -44.4509 1.18857 TIMING: 3370200 CPU: 9768.15, 0.00288792/step Wall: 9768.15, 0.00288792/step, 1.30743 hours remaining, 211.832031 MB of memory in use. ENERGY: 3370200 784.4496 2094.8135 1936.9157 112.1201 -205893.4620 17461.5868 0.0000 0.0000 34157.2415 -149346.3349 298.3037 -183503.5764 -149250.0964 298.9259 -257.9512 -228.9051 558406.2083 4.1330 3.9815 PRESSURE: 3370400 60.4174 49.743 9.78198 49.7428 -34.5937 -9.00524 9.78183 -9.00598 28.814 GPRESSURE: 3370400 83.1214 102.083 1.42692 -16.4553 -19.0162 7.74722 23.4122 43.7841 80.121 PRESSAVG: 3370400 10.0457 -14.8711 45.0819 -14.8711 -27.9978 15.5021 45.0819 15.5021 21.6569 GPRESSAVG: 3370400 10.3911 -18.9103 43.5974 -13.8614 -28.1329 18.1903 45.2627 12.0397 20.9494 TIMING: 3370400 CPU: 9768.73, 0.0028832/step Wall: 9768.73, 0.0028832/step, 1.30513 hours remaining, 211.832031 MB of memory in use. ENERGY: 3370400 771.0225 2101.3947 1934.5252 110.3428 -206392.3366 17892.7234 0.0000 0.0000 34173.4537 -149408.8744 298.4453 -183582.3281 -149307.7999 298.7266 18.2126 48.0754 557660.4681 1.2349 1.0692 PRESSURE: 3370600 -258.18 5.53121 142.444 5.53083 -284.184 -105.363 142.443 -105.362 -18.5007 GPRESSURE: 3370600 -263.172 -21.9272 171.794 -21.8895 -173.676 -146.442 124.322 -83.9217 -17.7279 PRESSAVG: 3370600 32.4097 -3.45388 36.8927 -3.45382 -20.1096 -3.59429 36.8927 -3.59418 -7.56223 GPRESSAVG: 3370600 32.1032 -1.41034 38.1144 -2.53622 -19.5507 -5.43266 34.5116 -3.0807 -7.8873 TIMING: 3370600 CPU: 9769.3, 0.0028919/step Wall: 9769.3, 0.0028919/step, 1.30891 hours remaining, 211.832031 MB of memory in use. ENERGY: 3370600 735.7751 2103.8465 1945.6181 121.3938 -205939.5597 17658.6631 0.0000 0.0000 33955.7992 -149418.4638 296.5444 -183374.2630 -149320.5497 297.8961 -186.9549 -151.5252 558717.3686 1.5793 1.5551 PRESSURE: 3370800 -126.816 43.2444 1.37018 43.2436 -166.134 44.4257 1.36953 44.4256 -421.074 GPRESSURE: 3370800 -114.655 44.4019 -37.5742 56.3829 -161.954 72.4732 82.0542 45.0218 -333.028 PRESSAVG: 3370800 -12.643 -30.8422 38.8239 -30.8422 -20.971 30.7417 38.8239 30.7417 13.3432 GPRESSAVG: 3370800 -12.8278 -31.5684 39.0266 -30.6117 -21.4437 31.8709 41.3953 29.3039 14.0192 TIMING: 3370800 CPU: 9769.88, 0.00289682/step Wall: 9769.88, 0.00289682/step, 1.31097 hours remaining, 211.832031 MB of memory in use. ENERGY: 3370800 736.7093 2144.0005 1923.9983 118.4798 -205590.4151 17214.7116 0.0000 0.0000 34173.1113 -149279.4043 298.4423 -183452.5156 -149175.7748 298.5294 -238.0078 -203.2121 557592.3830 -6.7569 -6.7508 PRESSURE: 3371000 179.187 39.0761 186.358 39.0764 39.2271 -46.4942 186.358 -46.4946 23.4849 GPRESSURE: 3371000 188.221 -78.2828 155.515 90.2199 22.399 -62.8795 161.004 -102.241 132.049 PRESSAVG: 3371000 -2.89225 23.169 54.561 23.1689 29.1564 -14.6922 54.561 -14.6921 -9.61071 GPRESSAVG: 3371000 -2.75206 22.9067 53.0749 22.9495 29.5619 -15.7269 54.1184 -11.2729 -10.244 TIMING: 3371000 CPU: 9770.46, 0.00288658/step Wall: 9770.46, 0.00288658/step, 1.30618 hours remaining, 211.832031 MB of memory in use. ENERGY: 3371000 739.2818 2129.0819 1942.5447 117.2135 -206141.5142 17780.4529 0.0000 0.0000 34233.4451 -149199.4944 298.9692 -183432.9395 -149109.3780 299.8171 80.6329 114.2229 556475.8142 5.5511 5.5219 PRESSURE: 3371200 -2.61003 -20.9454 -15.2293 -20.9441 -11.0788 -56.0508 -15.2295 -56.0506 3.07343 GPRESSURE: 3371200 19.6445 -124.984 -52.5012 -8.20017 15.5508 -60.1463 17.3601 -57.6627 62.3454 PRESSAVG: 3371200 -50.565 -26.2353 29.8115 -26.2353 -18.9223 -17.0837 29.8116 -17.0837 23.0104 GPRESSAVG: 3371200 -51.0996 -26.8789 29.5584 -25.8759 -18.3511 -17.7585 29.1262 -17.1152 23.0243 TIMING: 3371200 CPU: 9771.04, 0.00287528/step Wall: 9771.04, 0.00287528/step, 1.3009 hours remaining, 211.832031 MB of memory in use. ENERGY: 3371200 755.1174 2128.4612 1949.0971 111.0747 -206148.5534 17747.7732 0.0000 0.0000 34326.8620 -149130.1677 299.7850 -183457.0297 -149028.9774 299.8364 -3.5385 32.5135 558796.7218 -15.4923 -15.4755 PRESSURE: 3371400 -67.5818 209.163 6.10699 209.164 288.609 -27.7894 6.10768 -27.7886 101.555 GPRESSURE: 3371400 -61.7419 246.486 -4.04549 179.875 374.294 -4.82135 -58.7701 -4.65486 110.722 PRESSAVG: 3371400 -64.4546 31.3394 -4.06795 31.3394 10.5508 24.9823 -4.06789 24.9823 46.6015 GPRESSAVG: 3371400 -63.7541 31.2315 -2.32817 32.3101 10.814 25.3673 -5.09682 24.1117 45.8451 TIMING: 3371400 CPU: 9771.61, 0.00287957/step Wall: 9771.61, 0.00287957/step, 1.30269 hours remaining, 211.832031 MB of memory in use. ENERGY: 3371400 742.3727 2090.5416 1960.1676 113.8217 -206533.8472 18068.5140 0.0000 0.0000 34381.7744 -149176.6551 300.2646 -183558.4296 -149079.6333 299.6861 107.5273 141.0914 557623.2121 -2.4341 -2.3650 PRESSURE: 3371600 46.482 -50.4557 -62.3554 -50.4547 -32.8234 -51.2699 -62.3558 -51.2704 -133.259 GPRESSURE: 3371600 72.9211 -38.1389 -94.6786 -31.892 -7.96407 -69.1345 -86.6999 -49.7859 -85.2996 PRESSAVG: 3371600 -74.6303 -1.49365 -3.45032 -1.49364 63.4899 5.74605 -3.45039 5.74592 47.0169 GPRESSAVG: 3371600 -74.1156 -1.9034 -5.04267 -1.46853 62.8167 4.25864 -1.68945 6.35046 47.2978 TIMING: 3371600 CPU: 9772.19, 0.00288299/step Wall: 9772.19, 0.00288299/step, 1.30407 hours remaining, 211.832031 MB of memory in use. ENERGY: 3371600 776.5986 2086.0304 1956.6048 102.1070 -206211.1426 17837.2745 0.0000 0.0000 34380.9095 -149071.6177 300.2570 -183452.5271 -148973.6303 299.9482 -39.8668 -6.7808 558956.3648 11.9589 11.9997 PRESSURE: 3371800 -90.5007 -135.993 1.67566 -135.994 -5.83977 -153.121 1.67675 -153.121 -228.216 GPRESSURE: 3371800 -24.7162 -193.332 -0.360183 -114.554 -10.4468 -67.3887 63.197 -196.284 -197.734 PRESSAVG: 3371800 -3.82155 -40.7944 -18.6413 -40.7945 12.2219 10.7476 -18.6413 10.7475 -8.52584 GPRESSAVG: 3371800 -5.85251 -39.3409 -17.9364 -39.9431 13.5654 9.83226 -18.7835 10.0333 -7.23921 TIMING: 3371800 CPU: 9772.77, 0.0028976/step Wall: 9772.77, 0.0028976/step, 1.31052 hours remaining, 211.832031 MB of memory in use. ENERGY: 3371800 750.4540 2135.5632 1969.5368 123.2519 -206289.9336 17786.5117 0.0000 0.0000 34372.5432 -149152.0726 300.1840 -183524.6158 -149048.2039 300.1249 -108.1854 -77.6325 559312.7358 -0.0418 0.1579 PRESSURE: 3372000 -95.5468 82.435 -25.3824 82.4368 -151.923 66.8428 -25.3822 66.8423 -94.4916 GPRESSURE: 3372000 -57.1112 133.626 -58.5628 95.4958 -141.6 81.8194 77.6598 113.639 -46.7353 PRESSAVG: 3372000 29.7885 13.8374 -52.5131 13.8374 -1.52776 37.1729 -52.5132 37.1729 -39.2969 GPRESSAVG: 3372000 31.7058 15.5057 -50.7216 12.2168 -2.75578 40.2279 -52.6346 35.7004 -39.6925 TIMING: 3372000 CPU: 9773.35, 0.00290838/step Wall: 9773.35, 0.00290838/step, 1.31523 hours remaining, 211.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3372000 754.5311 2114.8576 1942.6096 121.9647 -205960.2803 17627.0192 0.0000 0.0000 34149.2034 -149250.0947 298.2335 -183399.2981 -149147.1414 300.2219 -113.9872 -81.8156 558165.5299 -3.6787 -3.5808 PRESSURE: 3372200 24.0955 54.1421 52.6873 54.1443 -146.392 155.589 52.6867 155.588 54.7677 GPRESSURE: 3372200 52.5674 -31.2647 33.5944 123.542 -88.4094 186.381 135.479 139.431 73.1401 PRESSAVG: 3372200 63.2317 -34.0188 32.6963 -34.0188 -51.2821 65.5363 32.6963 65.5363 11.549 GPRESSAVG: 3372200 63.1029 -36.6652 32.0731 -33.3293 -50.8587 65.1679 32.8645 67.7758 11.545 TIMING: 3372200 CPU: 9773.93, 0.00288058/step Wall: 9773.93, 0.00288058/step, 1.3025 hours remaining, 211.832031 MB of memory in use. ENERGY: 3372200 763.8794 2044.4334 1956.1868 120.0541 -206084.8013 17809.9369 0.0000 0.0000 34156.8532 -149233.4576 298.3003 -183390.3108 -149139.6858 299.7726 -22.5097 12.4327 558313.4834 7.8329 7.9297 LDB: ============= START OF LOAD BALANCING ============== 9777.31 LDB: ============== END OF LOAD BALANCING =============== 9777.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9777.31 LDB: ============= START OF LOAD BALANCING ============== 9777.6 LDB: Largest compute 4802 load 0.022962 is 19.5% of average load 0.118027 LDB: Average compute 0.001716 is 1.5% of average load 0.118027 LDB: TIME 9777.6 LOAD: AVG 0.118027 MAX 0.177834 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.676 MB LDB: TIME 9777.6 LOAD: AVG 0.118027 MAX 0.177834 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.758 MB LDB: TIME 9777.61 LOAD: AVG 0.118027 MAX 0.177834 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9777.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9777.61 PRESSURE: 3372400 149.774 94.7486 -85.6145 94.7478 46.8711 176.663 -85.6152 176.662 -15.3215 GPRESSURE: 3372400 184.763 154.12 -90.6379 82.8459 123.95 89.9667 -172.69 189.347 -36.8147 PRESSAVG: 3372400 2.27146 5.37827 -25.0596 5.37827 -16.4483 71.3674 -25.0596 71.3674 -17.4159 GPRESSAVG: 3372400 1.75315 6.56911 -27.1422 4.43877 -16.7874 69.7851 -24.9133 69.36 -17.1283 TIMING: 3372400 CPU: 9774.52, 0.00294623/step Wall: 9774.52, 0.00294623/step, 1.33202 hours remaining, 210.863281 MB of memory in use. ENERGY: 3372400 766.7168 2140.7892 1936.5477 122.6286 -206510.7390 17927.1612 0.0000 0.0000 34341.0324 -149275.8631 299.9088 -183616.8955 -149178.2112 299.8595 60.4412 90.6326 558005.9417 -10.5309 -10.7209 PRESSURE: 3372600 145.575 -47.5596 -51.7443 -47.5586 -30.3015 -251.633 -51.7452 -251.634 129.918 GPRESSURE: 3372600 131.702 -17.164 -69.3325 27.6103 0.0233243 -143.612 -95.311 -275.556 211.604 PRESSAVG: 3372600 -15.514 39.6415 0.402932 39.6416 18.5041 -0.944802 0.402937 -0.944887 1.1165 GPRESSAVG: 3372600 -16.6175 39.2336 -0.642578 41.2348 18.0094 2.08565 0.633001 -1.20593 2.64764 TIMING: 3372600 CPU: 9775.09, 0.00287888/step Wall: 9775.09, 0.00287888/step, 1.30141 hours remaining, 211.121094 MB of memory in use. ENERGY: 3372600 731.7750 2088.3010 1963.3864 116.7479 -206427.6091 17949.5471 0.0000 0.0000 34382.0756 -149195.7762 300.2672 -183577.8518 -149107.7051 299.4949 81.7304 114.4433 557764.4803 1.3688 1.3465 PRESSURE: 3372800 -194.847 -102.155 100.699 -102.155 -78.038 150.327 100.7 150.327 -38.7849 GPRESSURE: 3372800 -131.68 -76.8932 102.347 -10.8176 -41.3085 107.875 147.822 108.462 -43.661 PRESSAVG: 3372800 35.1133 -31.4353 22.5143 -31.4352 -77.4815 -8.81917 22.5142 -8.81905 57.2559 GPRESSAVG: 3372800 36.6376 -30.7423 22.8358 -33.5875 -77.1583 -10.3496 23.4832 -7.84977 55.1584 TIMING: 3372800 CPU: 9775.67, 0.00288169/step Wall: 9775.67, 0.00288169/step, 1.30252 hours remaining, 211.121094 MB of memory in use. ENERGY: 3372800 748.3064 2102.4061 1934.3188 112.9189 -206067.0598 17724.0039 0.0000 0.0000 34189.4852 -149255.6205 298.5853 -183445.1057 -149153.3808 299.3463 -103.8899 -72.2163 558558.3033 4.9626 4.8792 PRESSURE: 3373000 -34.3985 -148.186 20.7533 -148.186 -19.8997 -160.426 20.7541 -160.427 -254.027 GPRESSURE: 3373000 72.543 -80.7215 1.03541 -68.7622 -68.669 -175.351 20.9049 -102.627 -218.574 PRESSAVG: 3373000 16.4167 35.5758 36.4598 35.5758 -55.6848 -3.83979 36.4598 -3.8397 42.7937 GPRESSAVG: 3373000 15.6458 33.9756 38.5959 37.1907 -54.83 -3.6652 34.7158 -3.60658 42.6111 TIMING: 3373000 CPU: 9776.25, 0.00290167/step Wall: 9776.25, 0.00290167/step, 1.31139 hours remaining, 211.175781 MB of memory in use. ENERGY: 3373000 739.7324 2070.4240 1959.8394 110.9531 -206121.8126 17558.4069 0.0000 0.0000 34441.0033 -149241.4534 300.7818 -183682.4568 -149137.7348 299.3885 -102.7749 -71.5668 557283.9802 1.1752 1.1423 PRESSURE: 3373200 -255.095 79.1767 -19.1319 79.176 -20.1141 4.80893 -19.1315 4.80856 -44.7411 GPRESSURE: 3373200 -180.359 51.0616 -75.371 43.7691 -7.75794 -37.8375 7.22049 -35.3353 -28.8749 PRESSAVG: 3373200 14.5199 -17.9691 33.3009 -17.9692 33.3066 -1.01923 33.3009 -1.01913 -8.57447 GPRESSAVG: 3373200 14.6848 -18.6832 32.5563 -14.9283 32.0111 -2.15131 34.3025 -0.418287 -7.66513 TIMING: 3373200 CPU: 9776.83, 0.00290054/step Wall: 9776.83, 0.00290054/step, 1.31072 hours remaining, 211.175781 MB of memory in use. ENERGY: 3373200 783.0161 2099.2609 1951.6891 112.9263 -206206.1757 17822.8245 0.0000 0.0000 34289.0843 -149147.3744 299.4551 -183436.4587 -149046.7699 299.8619 -106.6502 -72.3307 557656.2800 13.0840 13.0103 PRESSURE: 3373400 -0.948521 65.0305 120.494 65.0298 -191.023 -19.5456 120.494 -19.5465 -110.613 GPRESSURE: 3373400 22.1013 17.9713 55.3616 55.1215 -119.198 -44.2014 138.304 -1.69475 -107.011 PRESSAVG: 3373400 3.03363 17.3602 -9.80001 17.3602 28.5518 13.2335 -9.79994 13.2336 -26.5876 GPRESSAVG: 3373400 2.1439 20.5274 -8.05919 13.6807 29.2363 12.9824 -11.4381 13.434 -25.6391 TIMING: 3373400 CPU: 9777.4, 0.00286967/step Wall: 9777.4, 0.00286967/step, 1.29661 hours remaining, 211.175781 MB of memory in use. ENERGY: 3373400 773.2068 2132.1400 1947.9993 122.2997 -205738.7699 17586.0694 0.0000 0.0000 34257.4206 -148919.6342 299.1786 -183177.0547 -148825.9821 300.1402 -100.8617 -68.0360 558192.2942 1.6659 1.9137 PRESSURE: 3373600 348.391 -10.7764 -129.889 -10.7773 168.636 32.2267 -129.89 32.2261 155.321 GPRESSURE: 3373600 382.605 44.8738 -96.1423 65.625 203.631 72.2142 -88.5558 36.887 192.579 PRESSAVG: 3373600 -17.8988 -16.4485 7.88958 -16.4485 18.4684 1.38532 7.8896 1.38542 -41.9871 GPRESSAVG: 3373600 -17.9991 -17.0682 8.58263 -15.5339 18.7282 4.60058 7.91102 0.496998 -41.6848 TIMING: 3373600 CPU: 9777.98, 0.00286739/step Wall: 9777.98, 0.00286739/step, 1.29542 hours remaining, 211.175781 MB of memory in use. ENERGY: 3373600 741.9638 2072.2064 1951.1165 105.7292 -206275.2819 18068.0174 0.0000 0.0000 34358.8670 -148977.3817 300.0645 -183336.2487 -148889.8550 299.2229 224.1161 259.6051 557430.7195 -13.8058 -13.6519 PRESSURE: 3373800 152.972 -10.1805 -194.572 -10.1806 -211.313 107.14 -194.573 107.138 -182.541 GPRESSURE: 3373800 142.919 -5.38265 -169.041 46.2347 -155.593 139.798 -192.096 42.145 -122.893 PRESSAVG: 3373800 25.8614 -15.0651 -3.74941 -15.065 27.4944 19.5393 -3.7494 19.5392 -47.0725 GPRESSAVG: 3373800 27.1853 -15.5326 -5.85343 -14.9497 27.0332 18.3915 -3.34087 19.2083 -47.5567 TIMING: 3373800 CPU: 9778.56, 0.00290266/step Wall: 9778.56, 0.00290266/step, 1.3112 hours remaining, 211.175781 MB of memory in use. ENERGY: 3373800 773.4771 2059.9323 1936.9928 102.9079 -205779.8026 17703.6570 0.0000 0.0000 34317.9510 -148884.8846 299.7072 -183202.8356 -148785.8340 300.0935 -80.2938 -45.1887 558384.3381 2.0944 2.2206 PRESSURE: 3374000 113.455 78.7422 50.9373 78.7425 -58.2326 16.384 50.9373 16.3846 163.051 GPRESSURE: 3374000 186.237 66.4411 8.03501 109.033 -4.03867 42.4156 65.0518 116.873 152.151 PRESSAVG: 3374000 -11.7197 12.7914 -50.7069 12.7914 -37.0272 3.13868 -50.707 3.13862 27.9311 GPRESSAVG: 3374000 -12.5531 11.1747 -50.3234 11.2097 -36.4122 1.88739 -49.0902 3.20183 28.6653 TIMING: 3374000 CPU: 9779.14, 0.00289857/step Wall: 9779.14, 0.00289857/step, 1.30919 hours remaining, 211.175781 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: 3374000 748.3738 2083.6742 1932.5525 106.8181 -206118.0008 17807.4771 0.0000 0.0000 34468.6074 -148970.4977 301.0229 -183439.1051 -148879.6320 299.6982 72.7580 111.4496 556461.7564 -6.9386 -6.7666 PRESSURE: 3374200 133.39 -27.4452 61.5325 -27.4467 138.64 -12.2509 61.5327 -12.252 212.022 GPRESSURE: 3374200 163.531 -24.3545 -5.73922 -42.6981 159.239 -51.5252 187.186 -40.8036 255.215 PRESSAVG: 3374200 -22.5886 0.566203 -24.5933 0.566214 -35.6041 -33.4771 -24.5933 -33.4771 51.2213 GPRESSAVG: 3374200 -22.7157 3.3647 -24.7975 -0.723946 -34.3982 -33.3202 -25.334 -33.373 49.8403 TIMING: 3374200 CPU: 9779.71, 0.00289334/step Wall: 9779.71, 0.00289334/step, 1.30666 hours remaining, 211.175781 MB of memory in use. ENERGY: 3374200 740.6443 2074.3267 1969.9830 125.9403 -206438.2912 18102.8253 0.0000 0.0000 34331.7465 -149092.8251 299.8277 -183424.5716 -148998.8333 299.8680 161.3506 192.6619 556780.2312 -2.3238 -2.4245 PRESSURE: 3374400 -77.9125 95.2556 -107.204 95.2558 45.1403 -38.1002 -107.204 -38.1007 4.29264 GPRESSURE: 3374400 17.4899 94.6908 -75.6019 94.701 50.8108 -171.865 -207.287 71.8908 7.79296 PRESSAVG: 3374400 -34.6006 -15.2692 -59.0067 -15.2692 60.533 -10.0643 -59.0067 -10.0644 -28.7255 GPRESSAVG: 3374400 -33.2047 -16.3202 -58.2826 -12.9696 59.0523 -8.7888 -59.4119 -9.59001 -28.7929 TIMING: 3374400 CPU: 9780.3, 0.00292082/step Wall: 9780.3, 0.00292082/step, 1.31891 hours remaining, 211.175781 MB of memory in use. ENERGY: 3374400 753.7307 2003.9135 1953.5886 112.9710 -205922.0098 17763.2845 0.0000 0.0000 34420.2099 -148914.3117 300.6003 -183334.5216 -148818.5345 299.9170 -9.4932 25.3646 558271.1637 -0.9310 -0.9818 PRESSURE: 3374600 -0.437156 98.6686 -75.9927 98.6698 -276.121 2.19569 -75.9945 2.19588 193.771 GPRESSURE: 3374600 73.5004 40.949 16.444 119.429 -186.558 9.55065 -100.916 -46.1608 119.67 PRESSAVG: 3374600 -11.7242 16.2008 -32.2745 16.2007 8.96977 2.18276 -32.2745 2.18283 20.1509 GPRESSAVG: 3374600 -11.5872 14.5122 -32.719 14.8455 10.1597 1.37853 -31.7668 1.82105 19.3542 TIMING: 3374600 CPU: 9780.88, 0.00290354/step Wall: 9780.88, 0.00290354/step, 1.31095 hours remaining, 211.175781 MB of memory in use. ENERGY: 3374600 768.4543 2119.2665 1968.3145 114.0365 -205972.5641 17836.2337 0.0000 0.0000 34286.3178 -148879.9408 299.4309 -183166.2587 -148773.2058 299.8945 -27.5957 2.2043 558669.5757 5.7988 5.9756 PRESSURE: 3374800 -58.1228 -223.729 -91.0446 -223.73 148.816 -2.46678 -91.043 -2.46502 -114.621 GPRESSURE: 3374800 41.1049 -267.853 -54.8685 -203.735 133.02 31.0569 -91.7136 -2.35348 -91.7981 PRESSAVG: 3374800 -66.4001 10.5085 -5.20187 10.5084 -21.2868 -14.1898 -5.20181 -14.1897 49.1488 GPRESSAVG: 3374800 -66.6962 12.001 -6.4155 9.48542 -22.9392 -15.671 -4.15341 -14.3706 50.802 TIMING: 3374800 CPU: 9781.46, 0.00289456/step Wall: 9781.46, 0.00289456/step, 1.30674 hours remaining, 211.175781 MB of memory in use. ENERGY: 3374800 757.6291 2030.7231 1940.5989 101.6279 -205985.5767 17839.9461 0.0000 0.0000 34237.4091 -149077.6424 299.0038 -183315.0515 -148982.5482 299.8296 -7.9759 27.4422 557884.8454 -12.8460 -12.9444 PRESSURE: 3375000 -99.2644 120.803 -88.63 120.803 89.0014 233.014 -88.6304 233.014 -78.2586 GPRESSURE: 3375000 -75.5194 98.7653 -133.495 98.3986 112.853 188.316 -62.7156 201.793 -28.3103 PRESSAVG: 3375000 -28.833 13.9151 49.7376 13.915 83.6657 21.8636 49.7376 21.8637 -7.08883 GPRESSAVG: 3375000 -29.3446 14.5816 50.615 12.9192 84.08 22.7396 49.2641 23.0454 -7.41834 TIMING: 3375000 CPU: 9782.04, 0.00288859/step Wall: 9782.04, 0.00288858/step, 1.30388 hours remaining, 211.175781 MB of memory in use. ENERGY: 3375000 728.8241 2072.4199 1964.7656 112.8387 -206102.9275 17631.2521 0.0000 0.0000 34407.9096 -149184.9174 300.4928 -183592.8270 -149084.5606 299.5325 -29.5072 3.0079 557306.0981 15.9146 15.7724 PRESSURE: 3375200 -110.715 -16.0579 22.6367 -16.0569 59.7767 39.8174 22.6384 39.8173 72.5263 GPRESSURE: 3375200 -114.143 -95.342 7.16913 56.1697 88.9939 31.5011 6.72609 -60.1257 144.388 PRESSAVG: 3375200 -41.1767 3.33558 54.9791 3.33555 89.3525 7.8105 54.9791 7.81043 -66.7918 GPRESSAVG: 3375200 -40.5949 4.1065 55.0586 4.53367 88.7174 8.69436 55.8497 7.06454 -66.5783 TIMING: 3375200 CPU: 9782.62, 0.00289552/step Wall: 9782.62, 0.00289552/step, 1.30685 hours remaining, 211.175781 MB of memory in use. ENERGY: 3375200 736.2233 2087.6657 1943.3648 111.0766 -206108.1672 17692.8927 0.0000 0.0000 34450.0299 -149086.9142 300.8607 -183536.9442 -148987.4090 299.2391 7.1958 39.7464 557176.5228 -6.2053 -6.1520 PRESSURE: 3375400 79.4824 180.515 -101.986 180.516 -118.185 -63.4311 -101.986 -63.4321 204.549 GPRESSURE: 3375400 71.4131 159.133 -130.299 197.623 -19.4273 19.0372 -92.4771 -176.491 213.06 PRESSAVG: 3375400 -21.5922 -11.9742 61.0406 -11.9742 33.0647 35.2903 61.0406 35.2902 -11.7414 GPRESSAVG: 3375400 -22.7028 -14.058 61.5335 -10.1453 34.3602 34.8276 57.8168 35.9564 -12.2357 TIMING: 3375400 CPU: 9783.19, 0.00287793/step Wall: 9783.19, 0.00287793/step, 1.29875 hours remaining, 211.175781 MB of memory in use. ENERGY: 3375400 766.3468 2097.6921 1941.1391 115.7901 -206167.3369 17765.2913 0.0000 0.0000 34320.9995 -149160.0780 299.7338 -183481.0774 -149064.2479 299.9008 55.2820 88.3487 557374.8412 -0.0896 -0.1927 PRESSURE: 3375600 158.517 42.3074 -46.4302 42.3077 -70.9805 95.5309 -46.4298 95.5318 -82.6484 GPRESSURE: 3375600 195.931 56.7262 -36.7301 43.7571 -45.9771 91.7727 -67.6136 117.419 -54.0081 PRESSAVG: 3375600 -36.3058 4.87471 -21.9441 4.87478 -4.04643 -10.8589 -21.9442 -10.8589 19.2107 GPRESSAVG: 3375600 -35.5679 6.96098 -22.8701 3.0999 -3.88639 -10.4004 -19.4117 -11.9749 18.2119 TIMING: 3375600 CPU: 9783.77, 0.00288733/step Wall: 9783.77, 0.00288733/step, 1.30283 hours remaining, 211.175781 MB of memory in use. ENERGY: 3375600 743.9223 2096.8337 1944.7358 100.9546 -206004.8825 17846.1252 0.0000 0.0000 34292.0532 -148980.2577 299.4810 -183272.3109 -148885.5948 299.8278 1.6293 31.9819 558695.2452 -7.0472 -7.0808 PRESSURE: 3375800 16.9956 29.8779 5.46286 29.8774 241.426 -3.24904 5.4642 -3.24945 71.7607 GPRESSURE: 3375800 46.2482 74.2862 -66.02 -45.6139 284.567 84.8387 -1.67021 -10.8376 105.27 PRESSAVG: 3375800 -14.1769 -45.6622 40.7194 -45.6622 10.7656 -1.28672 40.7194 -1.28676 -29.9106 GPRESSAVG: 3375800 -13.9098 -48.2028 41.2437 -43.4836 10.7739 -2.04079 40.4561 -0.67631 -29.4587 TIMING: 3375800 CPU: 9784.35, 0.00288966/step Wall: 9784.35, 0.00288966/step, 1.30372 hours remaining, 211.175781 MB of memory in use. ENERGY: 3375800 741.3922 2081.6320 1972.2513 112.2373 -206353.3636 18029.4059 0.0000 0.0000 34417.9518 -148998.4931 300.5805 -183416.4449 -148891.4046 299.9187 110.0607 145.3618 558247.4721 -11.1073 -10.8649 PRESSURE: 3376000 -275.144 115.67 42.7632 115.669 -326.986 53.6683 42.7628 53.667 -91.1354 GPRESSURE: 3376000 -219.528 32.6946 101.707 117.515 -284.374 41.6135 28.1831 73.287 -110.538 PRESSAVG: 3376000 19.7971 -6.45048 20.424 -6.45042 52.3706 -1.64967 20.424 -1.64964 -37.7463 GPRESSAVG: 3376000 19.0955 -3.84514 21.2469 -9.68522 52.5885 -1.80886 20.8164 -2.98115 -37.2049 TIMING: 3376000 CPU: 9784.92, 0.00287633/step Wall: 9784.92, 0.00287633/step, 1.29755 hours remaining, 211.175781 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: 3376000 735.5324 2098.0029 1973.5592 118.1859 -206063.0942 17649.4400 0.0000 0.0000 34301.2202 -149187.1533 299.5611 -183488.3736 -149091.0813 299.3574 -231.0884 -204.8133 559610.0229 11.4738 11.4930 PRESSURE: 3376200 -25.4718 57.6874 230.858 57.6876 -49.7933 108.754 230.857 108.755 -65.5852 GPRESSURE: 3376200 -15.5701 109.732 276.022 9.80061 -19.2617 98.8765 227.377 110.691 -15.1236 PRESSAVG: 3376200 -3.10596 -16.3388 8.69313 -16.3388 -42.5286 -7.51293 8.69312 -7.51282 27.9693 GPRESSAVG: 3376200 -2.91745 -16.904 8.43141 -14.6767 -42.7932 -6.7772 7.78255 -6.57218 28.0507 TIMING: 3376200 CPU: 9785.5, 0.00288743/step Wall: 9785.5, 0.00288743/step, 1.30239 hours remaining, 211.175781 MB of memory in use. ENERGY: 3376200 776.8748 2072.9537 1949.7150 114.5115 -206232.9426 17776.7513 0.0000 0.0000 34289.3459 -149252.7903 299.4574 -183542.1362 -149165.1890 298.5537 -46.9501 -16.6518 558505.4401 -5.8884 -5.8867 LDB: ============= START OF LOAD BALANCING ============== 9788.88 LDB: ============== END OF LOAD BALANCING =============== 9788.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9788.88 LDB: ============= START OF LOAD BALANCING ============== 9789.17 LDB: Largest compute 4792 load 0.024816 is 21.0% of average load 0.117976 LDB: Average compute 0.001724 is 1.5% of average load 0.117976 LDB: TIME 9789.17 LOAD: AVG 0.117976 MAX 0.179689 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.836 MB LDB: TIME 9789.17 LOAD: AVG 0.117976 MAX 0.179689 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: TIME 9789.17 LOAD: AVG 0.117976 MAX 0.179689 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.039 MB LDB: ============== END OF LOAD BALANCING =============== 9789.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9789.18 PRESSURE: 3376400 -7.74868 -67.3139 84.7864 -67.3147 -39.1039 -161.564 84.7873 -161.564 -84.021 GPRESSURE: 3376400 83.0258 -20.4115 105.411 10.692 -32.6453 -134.271 42.6389 -197.24 -91.5271 PRESSAVG: 3376400 9.52696 -40.8112 43.5539 -40.8112 13.5729 -14.831 43.5539 -14.8309 -28.7581 GPRESSAVG: 3376400 9.81642 -41.6389 42.4903 -40.8135 14.4383 -15.0004 42.2579 -15.8534 -30.3162 TIMING: 3376400 CPU: 9786.08, 0.0029306/step Wall: 9786.08, 0.0029306/step, 1.3217 hours remaining, 211.117188 MB of memory in use. ENERGY: 3376400 774.7987 2089.0611 1941.6496 113.4947 -206112.3477 17716.8508 0.0000 0.0000 34049.0347 -149427.4582 297.3587 -183476.4929 -149327.2548 298.1224 -43.6245 -13.7155 558324.1935 -1.8861 -2.0205 PRESSURE: 3376600 -224.644 138.139 -0.206368 138.139 -199.501 -47.9834 -0.207208 -47.9836 -84.9995 GPRESSURE: 3376600 -148.582 68.195 -91.2853 144.41 -223.943 -75.0442 -73.701 -3.81564 -60.9831 PRESSAVG: 3376600 1.23563 -22.3322 29.1005 -22.3323 19.0345 -37.3597 29.1005 -37.3597 -7.63603 GPRESSAVG: 3376600 -0.0796202 -22.6404 29.7716 -23.7317 18.8005 -38.4953 27.6999 -36.3968 -5.80569 TIMING: 3376600 CPU: 9786.66, 0.00287638/step Wall: 9786.66, 0.00287638/step, 1.29709 hours remaining, 211.117188 MB of memory in use. ENERGY: 3376600 762.8569 2100.6138 1936.6382 109.3444 -205954.6521 17562.0786 0.0000 0.0000 34194.1103 -149289.0098 298.6257 -183483.1201 -149197.7528 298.9898 -169.7147 -144.5029 558912.5820 4.2114 4.3051 PRESSURE: 3376800 -63.8194 141.802 -12.3333 141.802 67.8622 75.4065 -12.3337 75.4074 -74.7527 GPRESSURE: 3376800 -6.82901 158.245 46.9 196.821 55.4715 40.2878 -91.933 57.1369 -22.9477 PRESSAVG: 3376800 0.890276 -23.2511 -1.71371 -23.2512 -29.5727 -5.66261 -1.71377 -5.66256 42.5536 GPRESSAVG: 3376800 1.63276 -22.0228 -3.55689 -22.459 -29.856 -3.52409 0.840367 -7.3313 42.0969 TIMING: 3376800 CPU: 9787.23, 0.00285362/step Wall: 9787.23, 0.00285362/step, 1.28667 hours remaining, 211.117188 MB of memory in use. ENERGY: 3376800 765.9593 2102.1795 1951.2323 112.9381 -206267.0413 17853.2185 0.0000 0.0000 34181.4196 -149300.0941 298.5148 -183481.5136 -149205.6902 299.0803 -23.5700 8.5649 557832.9216 4.6237 4.6246 PRESSURE: 3377000 258.611 2.01479 -54.4508 2.01447 -115.585 -85.4006 -54.4503 -85.4003 286.1 GPRESSURE: 3377000 304.203 -22.7024 -75.9145 -15.5642 -78.4363 -60.2622 -54.083 -155.699 296.54 PRESSAVG: 3377000 5.27397 5.6638 54.5146 5.66379 14.117 20.3095 54.5147 20.3095 25.7865 GPRESSAVG: 3377000 4.04197 4.35985 55.1467 4.27825 14.5465 20.4725 53.1852 20.458 26.2122 TIMING: 3377000 CPU: 9787.81, 0.00287573/step Wall: 9787.81, 0.00287573/step, 1.29648 hours remaining, 211.117188 MB of memory in use. ENERGY: 3377000 734.1482 2140.3789 1929.8966 97.4982 -206847.8745 18317.8852 0.0000 0.0000 34250.0227 -149378.0447 299.1140 -183628.0675 -149273.7776 298.5506 143.0416 174.1023 558231.5735 15.0592 14.9336 PRESSURE: 3377200 -64.1228 -78.1698 96.3159 -78.1703 77.34 -79.8485 96.3159 -79.849 57.4358 GPRESSURE: 3377200 -47.8814 -85.5307 70.1081 -62.7466 139.588 -89.2388 165.546 -63.2872 82.5286 PRESSAVG: 3377200 19.761 0.359298 35.5825 0.359295 -7.55567 23.8592 35.5825 23.8592 -22.0445 GPRESSAVG: 3377200 20.7175 2.142 37.6838 1.50595 -8.22602 24.8859 35.2488 24.5286 -22.3411 TIMING: 3377200 CPU: 9788.38, 0.00287945/step Wall: 9788.38, 0.00287945/step, 1.29799 hours remaining, 211.117188 MB of memory in use. ENERGY: 3377200 731.7710 2091.4337 1962.6151 110.0273 -206672.8937 18006.7290 0.0000 0.0000 34320.4554 -149449.8622 299.7291 -183770.3176 -149359.6516 299.3292 23.5510 58.0783 558014.7922 -3.2797 -3.2832 PRESSURE: 3377400 -36.342 55.9166 124.696 55.9166 16.4957 -72.6574 124.696 -72.6585 49.27 GPRESSURE: 3377400 3.82832 51.0831 115.576 83.8745 55.5891 -52.2955 86.5327 -57.2073 63.9798 PRESSAVG: 3377400 -3.99184 -26.1006 34.0281 -26.1006 12.4967 -38.5459 34.0281 -38.5458 32.404 GPRESSAVG: 3377400 -4.2342 -27.0005 32.079 -25.5025 11.6314 -40.6184 35.1601 -37.0667 33.2781 TIMING: 3377400 CPU: 9788.96, 0.00287819/step Wall: 9788.96, 0.00287819/step, 1.29726 hours remaining, 211.117188 MB of memory in use. ENERGY: 3377400 693.5788 2189.9531 1974.8495 121.3471 -206055.8917 17779.6649 0.0000 0.0000 34025.7314 -149270.7668 297.1552 -183296.4981 -149188.7455 299.0271 9.8079 41.1324 558073.7400 13.6363 13.5584 PRESSURE: 3377600 -12.0424 -20.4664 -44.3864 -20.4666 212.779 -54.0773 -44.3864 -54.0766 -109.924 GPRESSURE: 3377600 37.1351 -12.9316 46.5172 40.2479 220.071 -86.9489 -89.6299 15.6355 -67.5538 PRESSAVG: 3377600 -67.2872 16.9148 1.42848 16.9149 53.6156 -4.46115 1.42846 -4.46119 -0.359355 GPRESSAVG: 3377600 -67.8564 16.4777 3.62611 17.5961 55.0684 -3.85252 1.1143 -4.3576 -1.81141 TIMING: 3377600 CPU: 9789.54, 0.00290558/step Wall: 9789.54, 0.00290558/step, 1.30945 hours remaining, 211.117188 MB of memory in use. ENERGY: 3377600 735.6593 2125.6917 1974.3698 115.2665 -205852.7204 17663.1299 0.0000 0.0000 34236.7801 -149001.8232 298.9983 -183238.6033 -148904.7439 298.7649 30.2707 63.2174 557669.6616 -4.6770 -4.8665 PRESSURE: 3377800 -161.252 55.6724 11.0802 55.6737 -52.8551 -14.187 11.0806 -14.1871 48.6799 GPRESSURE: 3377800 -80.363 47.6046 20.2551 28.1454 -74.64 21.4165 34.9222 -43.302 79.7605 PRESSAVG: 3377800 -10.0375 -41.589 77.7386 -41.589 -15.0476 -34.993 77.7386 -34.9929 74.3732 GPRESSAVG: 3377800 -10.1799 -41.6649 76.7396 -43.5192 -15.0641 -32.9218 78.7173 -36.7959 74.201 TIMING: 3377800 CPU: 9790.12, 0.00292621/step Wall: 9790.12, 0.00292621/step, 1.31858 hours remaining, 211.117188 MB of memory in use. ENERGY: 3377800 736.8695 2162.0169 1930.6907 103.8295 -206057.2661 17763.0017 0.0000 0.0000 34293.3821 -149067.4757 299.4926 -183360.8578 -148976.8535 299.4985 -55.1424 -25.0808 557395.4222 16.4294 16.3190 PRESSURE: 3378000 305.444 11.9141 -201.316 11.9137 29.1321 0.549266 -201.316 0.549822 242.481 GPRESSURE: 3378000 328.934 -82.8282 -126.058 51.8117 126.023 140.126 -216.144 -133.924 221.246 PRESSAVG: 3378000 55.202 36.1126 -10.8217 36.1126 -45.7918 -17.2896 -10.8217 -17.2896 -21.6924 GPRESSAVG: 3378000 56.1626 36.2878 -11.5837 38.8124 -46.1473 -20.284 -10.9658 -15.8826 -21.5148 TIMING: 3378000 CPU: 9790.7, 0.0029022/step Wall: 9790.7, 0.0029022/step, 1.3076 hours remaining, 211.117188 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: 3378000 747.5499 2100.4864 1970.3055 112.0937 -206431.3609 18071.7164 0.0000 0.0000 34351.9382 -149077.2708 300.0040 -183429.2090 -148979.3138 299.8910 192.3526 225.4010 556806.9451 -4.0941 -3.8332 PRESSURE: 3378200 -210.716 -79.6247 62.5865 -79.6236 181.978 -74.0687 62.5869 -74.0685 76.4418 GPRESSURE: 3378200 -119.157 -106.964 -3.5254 -56.93 231.322 -117.454 102.932 66.6362 40.2413 PRESSAVG: 3378200 66.631 42.8702 -7.60926 42.8701 -29.8034 9.53496 -7.60934 9.53494 -3.3038 GPRESSAVG: 3378200 66.5503 41.1313 -8.02072 41.8236 -29.4881 11.4409 -7.23028 10.1463 -3.65127 TIMING: 3378200 CPU: 9791.29, 0.0029296/step Wall: 9791.29, 0.0029296/step, 1.31978 hours remaining, 211.117188 MB of memory in use. ENERGY: 3378200 743.0854 2070.1285 1917.8805 120.3425 -206091.7834 17862.8821 0.0000 0.0000 34403.0858 -148974.3786 300.4507 -183377.4645 -148882.8145 300.1377 15.9012 50.8019 557937.2938 11.1746 11.1370 PRESSURE: 3378400 157.982 -168.944 -82.58 -168.944 -59.5139 -7.79272 -82.5805 -7.79226 49.8696 GPRESSURE: 3378400 174.102 -138.651 -113.108 -90.2826 -49.5344 28.8619 -125.639 -59.9297 132.199 PRESSAVG: 3378400 -3.12012 16.8274 14.1613 16.8274 39.5044 17.7253 14.1613 17.7254 10.3192 GPRESSAVG: 3378400 -3.80388 18.6121 15.6247 17.0726 38.6081 17.0011 11.5939 15.5717 10.8346 TIMING: 3378400 CPU: 9791.87, 0.00289715/step Wall: 9791.87, 0.00289715/step, 1.30501 hours remaining, 211.117188 MB of memory in use. ENERGY: 3378400 758.2288 2053.6886 1954.9489 118.6403 -206180.5114 17892.0503 0.0000 0.0000 34491.4996 -148911.4549 301.2228 -183402.9545 -148812.0323 299.7310 49.4461 85.5890 558678.1606 15.5679 15.2130 PRESSURE: 3378600 -139.595 68.1791 51.175 68.1797 -68.3441 78.7201 51.175 78.7215 -175.161 GPRESSURE: 3378600 -126.452 74.5136 91.4441 34.0102 13.3654 57.9423 24.6597 17.9348 -182.369 PRESSAVG: 3378600 11.6805 -7.13193 13.5605 -7.13191 -61.8538 35.3572 13.5605 35.3572 20.9269 GPRESSAVG: 3378600 11.5962 -7.73405 13.841 -6.60187 -61.5251 34.974 15.3733 35.9043 21.4541 TIMING: 3378600 CPU: 9792.45, 0.00290279/step Wall: 9792.45, 0.00290279/step, 1.30738 hours remaining, 211.117188 MB of memory in use. ENERGY: 3378600 697.7268 2048.0114 1949.3271 113.5898 -205588.2019 17497.7956 0.0000 0.0000 34273.8972 -149007.8540 299.3225 -183281.7512 -148905.9009 300.3200 -127.7003 -98.4851 558256.4467 -9.7488 -9.4916 PRESSURE: 3378800 27.399 -162.61 -68.2466 -162.609 244.414 74.6297 -68.2455 74.6297 73.3395 GPRESSURE: 3378800 26.9688 -181.41 -70.5232 -172.912 239.987 92.0727 -58.6153 50.3427 183.735 PRESSAVG: 3378800 -4.52972 -45.2729 31.4421 -45.2729 -9.93129 29.3784 31.4421 29.3784 29.5491 GPRESSAVG: 3378800 -4.71888 -42.5055 29.7225 -48.8076 -8.84592 30.2115 32.0759 30.2472 28.6048 TIMING: 3378800 CPU: 9793.03, 0.00288122/step Wall: 9793.03, 0.00288122/step, 1.29751 hours remaining, 211.117188 MB of memory in use. ENERGY: 3378800 766.9321 2107.7939 1959.1596 121.6234 -206381.2523 18241.6998 0.0000 0.0000 34499.3239 -148684.7196 301.2912 -183184.0435 -148589.7388 299.9049 115.0507 150.2303 558546.6888 5.0294 5.0133 PRESSURE: 3379000 -124.362 100.109 121.204 100.109 24.302 2.89 121.204 2.88953 24.4695 GPRESSURE: 3379000 -129.381 118.096 129.12 93.3679 68.031 19.9185 149.393 -47.3401 67.4052 PRESSAVG: 3379000 9.64404 7.37252 58.2638 7.37248 -15.5906 22.2556 58.2637 22.2556 58.1245 GPRESSAVG: 3379000 9.40668 4.30722 61.0773 8.06897 -15.8022 23.0374 56.801 21.8414 58.3484 TIMING: 3379000 CPU: 9793.61, 0.00290138/step Wall: 9793.61, 0.00290138/step, 1.30643 hours remaining, 211.117188 MB of memory in use. ENERGY: 3379000 762.8204 2041.6848 1948.1268 121.2822 -205738.4089 17633.2709 0.0000 0.0000 34306.0870 -148925.1369 299.6036 -183231.2239 -148827.1976 300.1578 -25.1968 2.0184 556469.3470 17.3926 17.3176 PRESSURE: 3379200 195.332 135.762 -2.06688 135.76 -41.0576 81.039 -2.06617 81.0397 -65.1082 GPRESSURE: 3379200 194.92 56.788 142.697 97.969 42.5141 44.5089 -25.5362 58.2438 -31.1889 PRESSAVG: 3379200 -13.1027 0.154293 84.814 0.15437 -53.6111 -8.98288 84.814 -8.98283 81.7427 GPRESSAVG: 3379200 -13.2815 -0.456636 84.2091 0.93672 -54.6809 -9.76336 84.4629 -9.83655 82.6117 TIMING: 3379200 CPU: 9794.19, 0.0028934/step Wall: 9794.19, 0.0028934/step, 1.30267 hours remaining, 211.117188 MB of memory in use. ENERGY: 3379200 723.3548 2115.5743 1932.7569 114.0622 -205782.0664 17695.0044 0.0000 0.0000 34209.7104 -148991.6034 298.7619 -183201.3138 -148891.9792 299.6558 29.7222 68.7485 556298.5518 5.0097 4.8831 PRESSURE: 3379400 122.103 123.55 -102.629 123.55 104.911 85.4859 -102.627 85.4865 144.621 GPRESSURE: 3379400 227.877 32.3494 -87.8013 82.7187 54.5625 142.866 -109.367 0.643971 187.168 PRESSAVG: 3379400 9.52108 14.7593 34.2242 14.7593 -35.5644 9.53032 34.2241 9.53033 20.9301 GPRESSAVG: 3379400 10.5825 15.5167 32.7895 15.7105 -35.6519 9.99655 34.0677 9.97187 20.1706 TIMING: 3379400 CPU: 9794.77, 0.00290925/step Wall: 9794.77, 0.00290925/step, 1.30965 hours remaining, 211.375000 MB of memory in use. ENERGY: 3379400 759.3094 2101.0648 1940.1809 116.2669 -205753.0347 17785.3827 0.0000 0.0000 34156.2877 -148894.5424 298.2954 -183050.8301 -148795.7698 299.1685 123.8782 156.5357 558361.1074 -1.7044 -1.6329 PRESSURE: 3379600 -378.293 -18.0439 25.9099 -18.0437 -115.587 72.3999 25.9106 72.4 -108.921 GPRESSURE: 3379600 -356.244 6.07736 112.677 42.8806 -67.1004 124.282 -8.7574 158.965 -87.151 PRESSAVG: 3379600 0.540914 4.92447 11.6217 4.9244 -5.80877 21.6899 11.6217 21.69 33.9585 GPRESSAVG: 3379600 1.06368 3.7293 11.379 3.60602 -5.30293 20.5993 12.526 21.7975 32.8443 TIMING: 3379600 CPU: 9795.34, 0.00287498/step Wall: 9795.34, 0.00287498/step, 1.29406 hours remaining, 211.375000 MB of memory in use. ENERGY: 3379600 760.8939 2166.0169 1952.6458 106.2149 -205874.7731 17541.5746 0.0000 0.0000 34560.0293 -148787.3976 301.8213 -183347.4269 -148689.9334 300.1620 -200.9338 -170.1651 558059.0589 9.5635 9.5350 PRESSURE: 3379800 -404.487 -149.549 111.301 -149.549 -411.49 -28.5215 111.302 -28.5225 -139.708 GPRESSURE: 3379800 -363.707 -280.427 94.3246 -120.422 -366.132 -26.3541 175.317 -44.8269 -128.172 PRESSAVG: 3379800 39.2191 -37.5065 27.9703 -37.5064 26.0473 -0.140672 27.9703 -0.14066 -34.7406 GPRESSAVG: 3379800 37.953 -36.6502 28.2661 -37.1307 26.7085 -1.5868 30.4085 2.09745 -34.2547 TIMING: 3379800 CPU: 9795.92, 0.00288991/step Wall: 9795.92, 0.00288991/step, 1.30062 hours remaining, 211.375000 MB of memory in use. ENERGY: 3379800 750.8436 2159.2280 1954.3435 111.9382 -205537.8321 17342.4571 0.0000 0.0000 34423.3569 -148795.6647 300.6277 -183219.0217 -148698.0175 300.6665 -318.5618 -286.0037 558354.4164 10.1753 10.1356 PRESSURE: 3380000 -179.453 45.1213 91.1215 45.1218 26.2154 50.6216 91.122 50.6227 197.812 GPRESSURE: 3380000 -146.297 13.1203 51.5267 -7.38918 20.6343 73.37 98.1928 -57.4216 275.456 PRESSAVG: 3380000 -16.284 7.1298 79.9109 7.12976 10.0353 -43.7589 79.911 -43.759 -19.544 GPRESSAVG: 3380000 -15.2327 7.76296 78.9081 7.14681 8.39609 -42.5272 78.3253 -45.5504 -19.1785 TIMING: 3380000 CPU: 9796.5, 0.00291825/step Wall: 9796.5, 0.00291825/step, 1.31321 hours remaining, 211.375000 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: 3380000 767.5796 2122.1945 1946.6606 111.5609 -205640.8004 17691.9769 0.0000 0.0000 34361.7885 -148639.0394 300.0900 -183000.8279 -148546.9551 300.7601 14.8580 49.9311 556979.8751 -8.5976 -8.6717 PRESSURE: 3380200 10.0868 -120.29 20.5433 -120.291 -72.6356 -75.0052 20.5438 -75.0044 123.924 GPRESSURE: 3380200 31.8264 -81.8061 -10.2059 -130.913 -11.5084 -35.8939 35.7014 -51.7375 134.587 PRESSAVG: 3380200 -66.7254 31.1808 18.471 31.1808 29.1933 -12.9516 18.4711 -12.9517 55.2412 GPRESSAVG: 3380200 -67.0422 31.6435 18.1904 31.0792 29.6287 -11.56 18.4754 -12.2997 54.7783 TIMING: 3380200 CPU: 9797.09, 0.00292719/step Wall: 9797.09, 0.00292719/step, 1.31707 hours remaining, 211.375000 MB of memory in use. ENERGY: 3380200 764.2636 2090.3593 1967.5108 125.2001 -205946.2046 17769.0204 0.0000 0.0000 34405.0523 -148824.7981 300.4679 -183229.8504 -148731.0801 301.3471 20.4584 51.6348 556761.5530 5.9030 5.7883 LDB: ============= START OF LOAD BALANCING ============== 9800.48 LDB: ============== END OF LOAD BALANCING =============== 9800.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9800.48 LDB: ============= START OF LOAD BALANCING ============== 9800.77 LDB: Largest compute 4792 load 0.024320 is 20.6% of average load 0.117981 LDB: Average compute 0.001730 is 1.5% of average load 0.117981 LDB: TIME 9800.77 LOAD: AVG 0.117981 MAX 0.179748 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.609 MB LDB: TIME 9800.77 LOAD: AVG 0.117981 MAX 0.179748 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: TIME 9800.77 LOAD: AVG 0.117981 MAX 0.179748 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: ============== END OF LOAD BALANCING =============== 9800.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9800.78 PRESSURE: 3380400 123.835 105.104 30.5381 105.105 -188.544 -56.8506 30.5377 -56.8502 -78.2226 GPRESSURE: 3380400 173.812 124.334 28.7226 74.9497 -139.057 -95.643 81.1348 13.8238 -77.6847 PRESSAVG: 3380400 -35.04 -68.9715 38.8291 -68.9715 6.14439 0.409958 38.8292 0.409926 26.7126 GPRESSAVG: 3380400 -36.0274 -68.7778 41.1366 -69.2524 7.8126 -1.82767 37.582 2.19042 26.003 TIMING: 3380400 CPU: 9797.68, 0.00296045/step Wall: 9797.68, 0.00296045/step, 1.33187 hours remaining, 210.148438 MB of memory in use. ENERGY: 3380400 794.5517 2003.7464 1942.5334 116.7980 -206218.3202 17834.5496 0.0000 0.0000 34523.6548 -149002.4861 301.5037 -183526.1409 -148914.3588 299.9888 -47.6439 -14.3099 556313.8870 -0.7277 -0.7372 PRESSURE: 3380600 55.9192 -26.7311 17.3191 -26.7317 -25.1467 4.79624 17.3183 4.79716 19.1698 GPRESSURE: 3380600 123.919 -18.7093 38.9084 135.65 -39.9425 -41.4815 -13.3351 55.3058 75.2903 PRESSAVG: 3380600 24.0694 -9.71834 -21.6943 -9.71833 -47.1194 21.3316 -21.6943 21.3316 2.0813 GPRESSAVG: 3380600 24.6524 -10.7919 -21.2975 -9.99848 -48.1482 19.7963 -21.0134 20.8824 2.68577 TIMING: 3380600 CPU: 9798.26, 0.00291731/step Wall: 9798.26, 0.00291731/step, 1.31231 hours remaining, 210.351562 MB of memory in use. ENERGY: 3380600 717.8364 2109.3350 1970.2301 115.6047 -206069.6663 17893.0050 0.0000 0.0000 34314.3834 -148949.2717 299.6760 -183263.6551 -148843.8055 300.3170 16.6474 53.0891 558262.5791 -6.9896 -6.9367 PRESSURE: 3380800 186.104 88.5421 137.004 88.5415 76.8663 172.765 137.003 172.767 23.5432 GPRESSURE: 3380800 179.023 106.793 79.9717 65.6951 90.7076 151.137 33.0365 225.543 124.617 PRESSAVG: 3380800 66.8872 -56.0096 -14.7225 -56.0095 -29.3507 31.8501 -14.7226 31.8501 -12.9686 GPRESSAVG: 3380800 66.2396 -57.4912 -16.5472 -54.0348 -29.5002 35.2015 -13.7723 28.758 -12.7966 TIMING: 3380800 CPU: 9798.85, 0.00290549/step Wall: 9798.85, 0.00290549/step, 1.30682 hours remaining, 210.351562 MB of memory in use. ENERGY: 3380800 739.3500 2109.4777 1931.3073 130.5873 -205816.3158 17779.5635 0.0000 0.0000 34163.7844 -148962.2457 298.3608 -183126.0301 -148870.3531 299.6560 95.5046 131.4494 556643.6398 8.1893 7.9810 PRESSURE: 3381000 56.9505 -73.3018 181.307 -73.3015 -228.543 55.7305 181.308 55.7294 2.04553 GPRESSURE: 3381000 124.394 -19.9765 261.152 -190.811 -190.312 66.1193 159.816 94.9851 4.91516 PRESSAVG: 3381000 -10.7519 -25.3042 16.6435 -25.3041 17.784 46.3442 16.6435 46.3444 -15.7898 GPRESSAVG: 3381000 -10.2979 -22.1209 18.3238 -27.4897 18.1477 44.3901 16.0987 47.8009 -15.6171 TIMING: 3381000 CPU: 9799.42, 0.00288888/step Wall: 9799.42, 0.00288888/step, 1.29919 hours remaining, 210.351562 MB of memory in use. ENERGY: 3381000 752.1200 2076.8718 1982.2292 112.9067 -205751.9552 17671.6183 0.0000 0.0000 34180.8754 -148975.3338 298.5101 -183156.2092 -148884.4055 299.2170 -56.5157 -20.3343 557260.7609 -2.9192 -2.5891 PRESSURE: 3381200 60.613 112.372 113.066 112.372 -303.392 -40.6008 113.067 -40.6005 -246.556 GPRESSURE: 3381200 76.852 115.745 55.4301 13.9085 -229.673 -96.8488 41.1776 -13.7164 -239.945 PRESSAVG: 3381200 -6.10099 0.0202536 -4.62893 0.0202215 -29.5547 33.9708 -4.62893 33.9706 10.4992 GPRESSAVG: 3381200 -7.38202 -1.57653 -3.93076 -1.34622 -29.0957 34.5844 -6.88082 34.2671 11.6682 TIMING: 3381200 CPU: 9800, 0.0028865/step Wall: 9800, 0.0028865/step, 1.29796 hours remaining, 210.351562 MB of memory in use. ENERGY: 3381200 782.4791 2155.9809 1945.8213 111.8287 -206018.8262 17622.5932 0.0000 0.0000 34433.6824 -148966.4407 300.7179 -183400.1231 -148868.4754 299.4583 -163.1115 -130.9221 556861.5525 -8.3855 -8.2699 PRESSURE: 3381400 -135.171 -214.58 -40.2909 -214.579 212.814 -97.2794 -40.2932 -97.2807 20.678 GPRESSURE: 3381400 -83.6732 -254.51 -1.00578 -219.196 229.409 -86.3652 -139.356 -97.6019 54.4836 PRESSAVG: 3381400 -8.6536 1.88126 -33.9039 1.88125 34.793 -7.28412 -33.9038 -7.28415 -13.8842 GPRESSAVG: 3381400 -6.65712 1.55949 -35.2113 3.69162 35.8576 -6.73231 -33.5827 -7.47293 -15.8961 TIMING: 3381400 CPU: 9800.58, 0.00288692/step Wall: 9800.58, 0.00288692/step, 1.29799 hours remaining, 210.351562 MB of memory in use. ENERGY: 3381400 708.2577 2134.5729 1940.9779 124.4209 -205897.3671 17640.0085 0.0000 0.0000 34212.6399 -149136.4893 298.7875 -183349.1292 -149032.8241 299.5377 32.7738 66.7397 557261.7625 4.0851 4.4348 PRESSURE: 3381600 31.5244 78.5052 -17.8126 78.5058 -179.656 -28.5452 -17.8118 -28.5472 302.756 GPRESSURE: 3381600 73.9637 137.353 37.4089 80.7427 -80.2873 -92.3798 -76.1857 -107.325 258.596 PRESSAVG: 3381600 -47.5019 3.02793 14.4368 3.02784 48.3615 -63.8006 14.4368 -63.8006 40.7004 GPRESSAVG: 3381600 -47.8499 4.46444 15.3524 3.15375 48.4967 -62.6642 15.5725 -66.0907 40.6821 TIMING: 3381600 CPU: 9801.15, 0.00287913/step Wall: 9801.15, 0.00287913/step, 1.29433 hours remaining, 210.351562 MB of memory in use. ENERGY: 3381600 733.3010 2136.0232 1944.4966 116.3204 -206482.1872 17901.6898 0.0000 0.0000 34239.0665 -149411.2897 299.0183 -183650.3562 -149303.7477 298.9285 51.5415 84.0909 556722.4130 13.8533 13.7763 PRESSURE: 3381800 -206.476 -75.2224 -84.9094 -75.2229 186.87 144.828 -84.91 144.827 -165.749 GPRESSURE: 3381800 -188.338 -76.294 -36.5188 -20.234 199.28 79.9598 -99.4414 190.239 -111.029 PRESSAVG: 3381800 -20.1937 -29.9537 -14.9214 -29.9538 48.8615 11.2683 -14.9214 11.2682 -18.9781 GPRESSAVG: 3381800 -19.228 -32.6572 -16.5562 -28.4082 47.4731 12.7522 -16.0299 12.1838 -17.5764 TIMING: 3381800 CPU: 9801.73, 0.00289029/step Wall: 9801.73, 0.00289029/step, 1.29918 hours remaining, 210.351562 MB of memory in use. ENERGY: 3381800 757.4472 2113.7929 1948.1854 115.7072 -206346.8331 17744.5035 0.0000 0.0000 34200.6340 -149466.5631 298.6826 -183667.1970 -149371.6308 298.2481 -61.7851 -33.3623 556588.2388 3.2299 3.5562 PRESSURE: 3382000 -0.750257 -76.0362 -64.4759 -76.0377 163.561 -128.152 -64.477 -128.151 40.4275 GPRESSURE: 3382000 3.26339 -67.9423 -58.2606 -38.5554 177.672 -54.3882 -23.1284 -230.707 123.581 PRESSAVG: 3382000 87.2947 23.3713 61.6031 23.3714 0.35785 -0.930504 61.6031 -0.930472 -70.265 GPRESSAVG: 3382000 86.4692 22.8903 61.3101 23.4977 1.18435 -0.762666 63.2414 -0.296218 -70.1938 TIMING: 3382000 CPU: 9802.31, 0.00289518/step Wall: 9802.31, 0.00289518/step, 1.30122 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3382000 779.9125 2026.9495 1950.4796 106.1699 -206184.9692 17841.6865 0.0000 0.0000 34317.7881 -149161.9831 299.7058 -183479.7712 -149067.7621 299.3511 67.7462 101.5055 557148.4538 5.7958 5.8199 PRESSURE: 3382200 80.9435 48.8639 120.293 48.8646 128.457 99.6026 120.292 99.6026 -119.616 GPRESSURE: 3382200 83.6119 75.9893 205.168 94.6589 139.937 107.298 59.7143 58.232 -47.0002 PRESSAVG: 3382200 -3.79551 -2.13358 6.5 -2.1336 4.41118 61.5825 6.50009 61.5826 -48.1022 GPRESSAVG: 3382200 -3.8108 1.26205 8.08173 -5.01212 5.33504 60.2037 3.59842 61.6713 -49.7935 TIMING: 3382200 CPU: 9802.89, 0.00290604/step Wall: 9802.89, 0.00290604/step, 1.30594 hours remaining, 210.351562 MB of memory in use. ENERGY: 3382200 791.9051 2082.5765 1945.9268 100.3037 -206417.8882 17985.0413 0.0000 0.0000 34158.1233 -149354.0115 298.3114 -183512.1349 -149265.3107 298.5539 29.9281 58.8495 557838.8974 -15.8288 -16.0897 PRESSURE: 3382400 72.5325 17.656 -37.1369 17.656 201.202 -253.192 -37.1371 -253.193 50.8394 GPRESSURE: 3382400 82.4343 14.6644 -96.4576 -67.8571 231.07 -275.101 -20.8264 -210.28 106.546 PRESSAVG: 3382400 43.0916 -19.7943 -17.7075 -19.7942 16.7965 -20.1063 -17.7075 -20.1062 -53.3846 GPRESSAVG: 3382400 43.6023 -22.0919 -17.8099 -19.3783 15.264 -21.655 -16.3296 -20.414 -52.8811 TIMING: 3382400 CPU: 9803.47, 0.00290461/step Wall: 9803.47, 0.00290461/step, 1.30514 hours remaining, 210.351562 MB of memory in use. ENERGY: 3382400 737.0553 2082.5098 1941.2216 102.6273 -206410.5280 17882.3887 0.0000 0.0000 34228.5680 -149436.1573 298.9266 -183664.7253 -149341.9437 299.0083 108.1915 140.0167 555711.4260 2.1679 1.9951 PRESSURE: 3382600 -41.8636 -178.21 -55.7502 -178.211 -268.536 -18.3402 -55.7492 -18.3391 -313.006 GPRESSURE: 3382600 -38.7112 -165.351 -126.353 -208.772 -299.977 -65.6535 -14.993 45.3769 -182.924 PRESSAVG: 3382600 63.4908 -31.1986 -32.5468 -31.1987 -31.6107 40.785 -32.5467 40.785 -14.428 GPRESSAVG: 3382600 62.8455 -33.1184 -32.3786 -29.9387 -32.0676 41.793 -32.6412 38.3804 -13.5681 TIMING: 3382600 CPU: 9804.05, 0.0029014/step Wall: 9804.05, 0.0029014/step, 1.30354 hours remaining, 210.351562 MB of memory in use. ENERGY: 3382600 712.7867 2095.6968 1937.5661 126.2625 -205807.7225 17446.1797 0.0000 0.0000 34170.7845 -149318.4462 298.4220 -183489.2307 -149224.9002 298.5560 -207.8017 -173.8705 556160.2952 5.8174 5.7366 PRESSURE: 3382800 -165.316 57.6018 -10.0793 57.6023 -85.7211 27.2313 -10.0796 27.2309 -66.8442 GPRESSURE: 3382800 -140.264 -19.9483 23.2447 132.784 -32.6312 -0.0545945 -19.8361 0.970856 -46.7977 PRESSAVG: 3382800 -11.545 -14.4403 -28.6134 -14.4403 51.6144 -2.49789 -28.6134 -2.4979 12.146 GPRESSAVG: 3382800 -12.1976 -10.9644 -28.4758 -14.987 52.5003 -2.39062 -29.8819 -2.02844 11.9918 TIMING: 3382800 CPU: 9804.63, 0.00288429/step Wall: 9804.63, 0.00288429/step, 1.29569 hours remaining, 210.351562 MB of memory in use. ENERGY: 3382800 702.0967 2107.0434 1939.3501 108.2634 -206156.7002 17685.7450 0.0000 0.0000 34440.0426 -149174.1589 300.7735 -183614.2015 -149076.8006 299.3349 -105.9605 -73.2309 558244.3462 17.4051 17.4315 PRESSURE: 3383000 29.0273 23.8322 -92.882 23.8314 -140.312 127.575 -92.8815 127.573 51.5348 GPRESSURE: 3383000 23.3829 16.3454 -72.4813 38.1023 -132.551 108.322 -5.2334 79.0725 150.996 PRESSAVG: 3383000 -19.231 -40.0067 -14.4707 -40.0067 -55.5207 10.0069 -14.4707 10.007 68.3731 GPRESSAVG: 3383000 -18.0793 -41.938 -16.0369 -40.4294 -55.9993 8.67725 -14.0145 10.8297 68.0823 TIMING: 3383000 CPU: 9805.2, 0.0028677/step Wall: 9805.2, 0.0028677/step, 1.28807 hours remaining, 210.351562 MB of memory in use. ENERGY: 3383000 733.9997 2080.1402 1948.7393 119.2642 -206160.8306 17732.5304 0.0000 0.0000 34147.8013 -149398.3554 298.2212 -183546.1567 -149298.2123 299.1398 -19.9166 13.9426 556705.3345 -2.1262 -1.9988 PRESSURE: 3383200 -27.3306 -62.5326 -92.773 -62.533 53.2609 8.68329 -92.7721 8.68352 169.397 GPRESSURE: 3383200 52.144 -46.5673 -91.7549 5.5765 91.4491 18.3461 -108.781 -29.004 163.926 PRESSAVG: 3383200 -49.758 -71.6661 -9.70127 -71.6662 -42.762 15.07 -9.70125 15.0701 45.3757 GPRESSAVG: 3383200 -50.6859 -69.0545 -9.77174 -71.7363 -42.4674 14.3524 -9.63757 15.7045 45.7483 TIMING: 3383200 CPU: 9805.78, 0.00290314/step Wall: 9805.78, 0.00290314/step, 1.30383 hours remaining, 210.351562 MB of memory in use. ENERGY: 3383200 709.8321 2070.7991 1942.5119 105.7794 -206565.3556 18083.5365 0.0000 0.0000 34177.0505 -149475.8462 298.4767 -183652.8967 -149383.4446 299.1594 65.1092 102.5063 557259.6271 -15.7148 -15.8017 PRESSURE: 3383400 358.04 55.4842 -22.5369 55.4835 42.7967 167.93 -22.5363 167.93 18.885 GPRESSURE: 3383400 425.212 53.8003 -75.3683 100.886 44.3945 150.608 -30.4042 226.792 45.9829 PRESSAVG: 3383400 -16.3833 -7.74685 -42.404 -7.74694 -19.0129 20.5489 -42.404 20.5489 -16.2403 GPRESSAVG: 3383400 -16.5819 -9.79265 -42.6951 -5.91206 -18.9187 22.6774 -40.401 22.8798 -16.0944 TIMING: 3383400 CPU: 9806.36, 0.00289547/step Wall: 9806.36, 0.00289547/step, 1.30023 hours remaining, 210.351562 MB of memory in use. ENERGY: 3383400 701.4367 2148.3212 1927.7552 115.2899 -206488.2343 18076.6673 0.0000 0.0000 34120.6599 -149398.1041 297.9842 -183518.7640 -149300.0512 298.7689 139.9071 171.8633 557725.8682 -17.2121 -17.1983 PRESSURE: 3383600 242.649 -145.12 -60.0441 -145.119 235.099 104.342 -60.0439 104.343 226.055 GPRESSURE: 3383600 271.271 -59.9251 1.91326 -206.877 289.247 40.513 96.2603 104.865 246.069 PRESSAVG: 3383600 -9.56192 -0.245881 -5.43558 -0.245938 53.2108 60.1949 -5.43562 60.195 -24.4895 GPRESSAVG: 3383600 -9.04484 2.85217 -4.54692 -2.28415 52.3614 59.9777 -5.13243 57.4456 -24.4019 TIMING: 3383600 CPU: 9806.94, 0.0028592/step Wall: 9806.94, 0.0028592/step, 1.28378 hours remaining, 210.351562 MB of memory in use. ENERGY: 3383600 744.3289 2087.9616 1943.4189 119.6833 -206914.1883 18328.1569 0.0000 0.0000 34388.0653 -149302.5733 300.3195 -183690.6387 -149204.0182 298.9655 234.6010 268.8624 556353.2545 6.3864 6.3049 PRESSURE: 3383800 -90.6418 -101.409 91.0307 -101.408 -87.0256 10.6649 91.031 10.6663 -197.288 GPRESSURE: 3383800 -25.973 -152.895 92.9579 -42.9715 -81.8359 60.2243 86.1573 -74.0044 -170.383 PRESSAVG: 3383800 29.8373 72.2752 23.2294 72.2752 34.0328 31.9622 23.2295 31.9621 -34.4846 GPRESSAVG: 3383800 29.4596 69.4877 21.602 73.905 35.2986 32.7033 22.0211 32.75 -35.268 TIMING: 3383800 CPU: 9807.51, 0.00287855/step Wall: 9807.51, 0.00287855/step, 1.29231 hours remaining, 210.351562 MB of memory in use. ENERGY: 3383800 747.7697 2103.7865 1946.4557 119.6677 -206495.5157 17946.6805 0.0000 0.0000 34235.6100 -149395.5456 298.9881 -183631.1556 -149302.0033 299.1855 -124.9852 -92.7306 557925.3305 9.7952 9.8301 PRESSURE: 3384000 -421.907 64.7489 -23.2338 64.7484 27.1899 -180 -23.2334 -180 50.4385 GPRESSURE: 3384000 -391.862 7.88089 -31.8017 103.493 79.9845 -235.791 -34.9334 -170.069 64.0253 PRESSAVG: 3384000 -4.82488 -1.83544 20.823 -1.83548 76.7824 -20.5796 20.823 -20.5796 -7.89229 GPRESSAVG: 3384000 -4.58763 -1.12582 21.859 -2.34579 78.3876 -20.954 19.0623 -19.5037 -9.29426 TIMING: 3384000 CPU: 9808.09, 0.00289228/step Wall: 9808.09, 0.00289228/step, 1.29831 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3384000 732.9095 2125.9208 1951.4872 104.0150 -205781.7246 17492.4813 0.0000 0.0000 34080.3973 -149294.5136 297.6326 -183374.9109 -149206.2947 299.4229 -114.7595 -82.6173 556885.2581 21.3551 21.5019 PRESSURE: 3384200 -99.1887 93.4422 115.239 93.4421 17.7701 214.432 115.24 214.432 13.2121 GPRESSURE: 3384200 -87.7993 61.0506 111.555 175.61 48.1598 306.148 110.48 92.0532 57.384 PRESSAVG: 3384200 -15.6855 0.745528 14.1833 0.745543 -23.6917 33.8158 14.1833 33.8159 10.4535 GPRESSAVG: 3384200 -16.1887 -0.801942 11.8847 0.668648 -24.4002 34.3849 16.2046 31.9979 11.3297 TIMING: 3384200 CPU: 9808.67, 0.00290415/step Wall: 9808.67, 0.00290415/step, 1.30348 hours remaining, 210.351562 MB of memory in use. ENERGY: 3384200 742.7459 2077.1291 1944.3642 106.4178 -206028.9682 17929.2013 0.0000 0.0000 34032.4383 -149196.6716 297.2137 -183229.1099 -149099.5741 299.2308 -22.7355 5.9148 557840.1049 -9.6412 -9.7531 LDB: ============= START OF LOAD BALANCING ============== 9812.06 LDB: ============== END OF LOAD BALANCING =============== 9812.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9812.06 LDB: ============= START OF LOAD BALANCING ============== 9812.34 LDB: Largest compute 4792 load 0.024323 is 20.6% of average load 0.117977 LDB: Average compute 0.001716 is 1.5% of average load 0.117977 LDB: TIME 9812.35 LOAD: AVG 0.117977 MAX 0.178975 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 9812.35 LOAD: AVG 0.117977 MAX 0.178975 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: TIME 9812.35 LOAD: AVG 0.117977 MAX 0.178975 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9812.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9812.35 PRESSURE: 3384400 197.063 18.0897 128.642 18.0896 150.165 119.917 128.641 119.917 401.511 GPRESSURE: 3384400 272.511 51.1673 91.1186 -6.17041 159.93 147.788 206.305 106.337 404.855 PRESSAVG: 3384400 -44.1305 15.2766 39.3893 15.2766 20.4182 25.1817 39.3893 25.1815 38.1815 GPRESSAVG: 3384400 -43.527 15.8384 40.1165 16.2624 20.1747 23.4715 39.9162 25.9975 37.567 TIMING: 3384400 CPU: 9809.26, 0.00292969/step Wall: 9809.26, 0.00292969/step, 1.31478 hours remaining, 210.863281 MB of memory in use. ENERGY: 3384400 672.9910 2034.6338 1967.3166 117.8995 -206037.8075 17908.5239 0.0000 0.0000 34209.8240 -149126.6188 298.7629 -183336.4428 -149028.0112 299.9423 249.5798 279.0985 556414.2764 4.8231 4.7383 PRESSURE: 3384600 -36.5103 103.461 -47.7724 103.462 120.91 35.6852 -47.7722 35.6847 194.862 GPRESSURE: 3384600 43.3801 85.954 -47.9682 37.4516 133.229 -10.5326 -36.2447 50.021 189.055 PRESSAVG: 3384600 -23.5964 -3.4736 -22.7677 -3.4737 -2.4533 56.1903 -22.7676 56.1902 -16.6761 GPRESSAVG: 3384600 -23.6666 -2.32742 -21.7935 -5.6393 -2.8507 59.2553 -25.1334 53.6583 -16.2209 TIMING: 3384600 CPU: 9809.83, 0.00287652/step Wall: 9809.83, 0.00287652/step, 1.29076 hours remaining, 210.863281 MB of memory in use. ENERGY: 3384600 705.3084 2129.4845 1923.5808 128.6946 -206306.6473 18024.1323 0.0000 0.0000 34215.6605 -149179.7862 298.8139 -183395.4468 -149094.3696 298.6760 93.0873 121.8880 560243.9751 -14.2419 -14.2460 PRESSURE: 3384800 72.7783 83.726 48.2286 83.7261 90.7794 107.431 48.2289 107.432 226.691 GPRESSURE: 3384800 89.4334 60.1469 95.4432 19.0995 133.591 30.5453 6.49986 134.375 261.704 PRESSAVG: 3384800 -52.5452 28.4847 20.2373 28.4846 -50.5823 16.0729 20.2372 16.073 79.6178 GPRESSAVG: 3384800 -53.5911 29.1979 18.8468 28.8795 -50.6637 13.9888 19.1236 17.6874 80.8441 TIMING: 3384800 CPU: 9810.41, 0.0028953/step Wall: 9810.41, 0.0028953/step, 1.29903 hours remaining, 210.863281 MB of memory in use. ENERGY: 3384800 743.1829 2081.0302 1934.5088 112.3269 -206202.6373 17926.9829 0.0000 0.0000 34267.4891 -149137.1165 299.2665 -183404.6056 -149045.0687 300.1318 130.0829 161.5759 556487.9242 -7.8366 -7.8036 PRESSURE: 3385000 -33.7067 228.736 -45.6029 228.735 10.673 170.131 -45.6019 170.13 10.9225 GPRESSURE: 3385000 29.147 179.18 -64.7579 72.7481 103.308 191.808 28.389 215.246 -33.4259 PRESSAVG: 3385000 -72.5876 64.1573 -17.1943 64.1573 36.3451 4.52617 -17.1944 4.5261 28.7381 GPRESSAVG: 3385000 -70.8708 61.5429 -15.1644 64.7912 35.1582 4.64676 -16.656 4.75924 27.9432 TIMING: 3385000 CPU: 9810.99, 0.00287711/step Wall: 9810.99, 0.00287711/step, 1.2907 hours remaining, 210.863281 MB of memory in use. ENERGY: 3385000 749.3203 2117.6513 1938.3349 119.0027 -206449.0965 17848.3965 0.0000 0.0000 34252.4561 -149423.9347 299.1352 -183676.3908 -149329.9435 299.7186 -4.0371 33.0097 555281.3285 -2.5015 -2.5898 PRESSURE: 3385200 110.871 -191.095 -84.0379 -191.095 -69.6647 2.01118 -84.0372 2.01141 211.111 GPRESSURE: 3385200 167.477 -146.465 -120.982 -265.853 -59.5167 30.7764 -13.6391 43.0891 234.894 PRESSAVG: 3385200 38.1605 25.6765 -56.5456 25.6765 -22.1095 -11.4813 -56.5457 -11.4813 1.31281 GPRESSAVG: 3385200 38.1393 26.7823 -56.1655 24.1744 -21.5003 -12.11 -56.2518 -9.24564 0.513769 TIMING: 3385200 CPU: 9811.56, 0.00288624/step Wall: 9811.56, 0.00288624/step, 1.29464 hours remaining, 210.863281 MB of memory in use. ENERGY: 3385200 733.8269 2075.5381 1934.2111 107.7563 -206542.9480 17931.6969 0.0000 0.0000 34213.9458 -149545.9728 298.7989 -183759.9186 -149449.1407 298.5890 84.1059 114.2848 555348.2685 5.7880 5.7176 PRESSURE: 3385400 38.2354 -99.9829 47.9045 -99.9814 240.441 -122.602 47.9042 -122.601 152.599 GPRESSURE: 3385400 50.3408 -164.862 64.144 -9.02612 250.878 -163.513 5.1433 -135.376 222.742 PRESSAVG: 3385400 -35.6187 -37.5852 23.8332 -37.5853 4.64178 9.05263 23.8332 9.05262 54.2535 GPRESSAVG: 3385400 -35.5735 -36.8238 23.2938 -37.0278 4.57623 11.4693 24.5311 6.22999 54.9095 TIMING: 3385400 CPU: 9812.14, 0.00289821/step Wall: 9812.14, 0.00289821/step, 1.29985 hours remaining, 210.863281 MB of memory in use. ENERGY: 3385400 727.4806 2134.7823 1920.5530 93.6514 -206788.5157 18114.9746 0.0000 0.0000 34155.9693 -149641.1046 298.2926 -183797.0738 -149545.9321 298.1321 143.7582 174.6537 556370.5831 7.7589 7.9708 PRESSURE: 3385600 33.1826 60.5626 -217.883 60.5638 67.4281 10.7242 -217.884 10.7254 -66.3549 GPRESSURE: 3385600 49.2521 97.3673 -129.189 78.8196 61.4502 10.9531 -204.828 49.4583 12.154 PRESSAVG: 3385600 -23.4892 -24.2417 41.1008 -24.2416 43.8291 -21.6693 41.1007 -21.6693 -28.4898 GPRESSAVG: 3385600 -23.7358 -24.9616 40.8429 -24.6027 42.9118 -23.1771 41.8908 -20.2973 -27.2866 TIMING: 3385600 CPU: 9812.72, 0.00288808/step Wall: 9812.72, 0.00288808/step, 1.29514 hours remaining, 210.863281 MB of memory in use. ENERGY: 3385600 745.5161 2115.7258 1923.1499 111.2284 -206353.3119 17737.2806 0.0000 0.0000 33935.3060 -149785.1051 296.3655 -183720.4110 -149696.6442 297.9164 11.4186 40.9521 557285.4826 -2.7166 -2.7035 PRESSURE: 3385800 172.938 -89.6112 7.79322 -89.611 -133.021 81.7837 7.793 81.7838 -541.872 GPRESSURE: 3385800 117.487 -109.208 -0.535265 -19.3142 -66.5356 49.2842 88.4961 122.15 -451.863 PRESSAVG: 3385800 22.4293 16.0481 34.5622 16.0481 55.978 43.8274 34.5622 43.8274 -83.7894 GPRESSAVG: 3385800 22.0079 13.3639 35.0426 17.7918 57.5608 43.4705 31.4453 41.205 -85.0457 TIMING: 3385800 CPU: 9813.3, 0.00289174/step Wall: 9813.3, 0.00289174/step, 1.29662 hours remaining, 210.863281 MB of memory in use. ENERGY: 3385800 703.7909 2109.0877 1953.4484 105.1306 -206182.4859 17598.8332 0.0000 0.0000 34152.6251 -149559.5701 298.2634 -183712.1952 -149458.8882 297.7215 -167.3181 -133.6372 557790.3584 -1.7940 -1.8256 PRESSURE: 3386000 178.493 -96.5304 -80.9606 -96.5312 -173.787 -26.5118 -80.9601 -26.5115 -61.2923 GPRESSURE: 3386000 264.444 -162.209 -63.4485 -104.419 -169.971 29.9596 -58.5081 -22.9366 -54.9046 PRESSAVG: 3386000 -0.19775 -27.2973 -43.3656 -27.2972 -2.03533 -2.01636 -43.3655 -2.01635 -7.30687 GPRESSAVG: 3386000 0.775512 -26.1982 -41.9943 -28.5273 -2.64493 -2.26007 -42.5178 1.35728 -7.46006 TIMING: 3386000 CPU: 9813.88, 0.00290617/step Wall: 9813.88, 0.00290617/step, 1.30293 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3386000 689.5029 2094.3054 1976.0483 123.5388 -206216.7469 17651.0221 0.0000 0.0000 34073.9102 -149608.4193 297.5759 -183682.3295 -149516.4448 298.8668 -18.8622 13.1895 555327.0328 -3.1800 -3.1098 PRESSURE: 3386200 -39.734 28.4792 -244.862 28.4787 114.797 128.278 -244.863 128.278 -222.675 GPRESSURE: 3386200 -2.94681 -31.0036 -292.695 78.8606 150.629 54.3474 -227.073 149.789 -193.635 PRESSAVG: 3386200 2.57098 26.1344 7.69336 26.1345 -13.654 10.7908 7.69344 10.7908 0.121471 GPRESSAVG: 3386200 2.32721 27.2542 6.21652 26.3474 -12.7833 10.9433 7.44853 9.39064 -0.739039 TIMING: 3386200 CPU: 9814.46, 0.00288706/step Wall: 9814.46, 0.00288706/step, 1.29421 hours remaining, 210.863281 MB of memory in use. ENERGY: 3386200 695.8049 2064.9457 1928.2268 119.5675 -206527.9790 17672.8306 0.0000 0.0000 34522.0036 -149524.5999 301.4892 -184046.6036 -149426.5812 298.9080 -49.2041 -15.3178 555326.5883 -3.6538 -3.7317 PRESSURE: 3386400 165.448 101.807 -77.9771 101.807 -83.5223 58.8789 -77.977 58.8781 -161.364 GPRESSURE: 3386400 178.074 94.5095 -31.5022 94.4456 -70.8322 56.5028 -27.5594 100.233 -84.6135 PRESSAVG: 3386400 101.803 -2.35672 -43.4461 -2.35674 -16.8748 36.597 -43.4461 36.5969 -33.679 GPRESSAVG: 3386400 100.912 -1.60564 -44.2318 -3.35691 -16.8663 37.7391 -42.5296 36.6459 -32.3393 TIMING: 3386400 CPU: 9815.04, 0.00290756/step Wall: 9815.04, 0.00290756/step, 1.30323 hours remaining, 210.863281 MB of memory in use. ENERGY: 3386400 709.3283 2189.0813 1935.2042 114.7639 -206267.3563 17695.9360 0.0000 0.0000 34020.0473 -149602.9953 297.1055 -183623.0426 -149499.8628 298.0624 -26.4795 7.5427 556336.4831 17.0832 17.2355 PRESSURE: 3386600 61.6749 145.847 -100.469 145.846 57.3231 -79.3229 -100.469 -79.3239 327.905 GPRESSURE: 3386600 137.303 241.046 -69.2228 79.4032 74.0204 -118.068 -92.2875 -83.6501 332.893 PRESSAVG: 3386600 28.4321 -6.10317 2.47803 -6.10315 -25.2723 -27.6668 2.47804 -27.6668 -33.7312 GPRESSAVG: 3386600 29.0524 -7.40597 2.90411 -5.79315 -25.5828 -28.3567 1.25365 -28.1326 -34.553 TIMING: 3386600 CPU: 9815.63, 0.00296459/step Wall: 9815.63, 0.00296459/step, 1.32863 hours remaining, 210.863281 MB of memory in use. ENERGY: 3386600 721.4597 2096.8507 1938.3691 114.2213 -206447.9821 17855.3592 0.0000 0.0000 34261.5757 -149460.1463 299.2149 -183721.7221 -149360.0967 298.4366 148.9676 181.4054 555572.8866 -10.1905 -10.3612 PRESSURE: 3386800 -126.215 -186.602 -160.638 -186.602 -123.68 -20.0772 -160.638 -20.077 -294.635 GPRESSURE: 3386800 -116.324 -146.825 -164.262 -183.443 -122.608 22.4302 -118.397 2.04158 -206.55 PRESSAVG: 3386800 24.548 22.5883 -10.85 22.5884 41.214 -0.149516 -10.8499 -0.149488 -1.42146 GPRESSAVG: 3386800 23.6639 23.6959 -12.5696 22.9994 40.5707 0.174712 -9.28144 1.85577 -0.623142 TIMING: 3386800 CPU: 9816.22, 0.00292205/step Wall: 9816.22, 0.00292205/step, 1.3094 hours remaining, 210.863281 MB of memory in use. ENERGY: 3386800 778.6035 2119.2367 1935.0078 123.8960 -205924.0238 17535.7823 0.0000 0.0000 33951.2684 -149480.2290 296.5049 -183431.4974 -149383.8561 298.6696 -181.5100 -148.4943 556510.7660 21.4468 21.2038 PRESSURE: 3387000 -100.352 41.0563 -171.179 41.0564 37.2103 120.634 -171.18 120.633 -74.4864 GPRESSURE: 3387000 -34.3819 55.4285 -143.765 86.2216 59.4657 118.099 -273.078 193.108 -61.8978 PRESSAVG: 3387000 25.064 -14.686 -38.7805 -14.686 12.0868 -6.34643 -38.7804 -6.34635 -38.2631 GPRESSAVG: 3387000 26.2892 -15.8391 -36.0705 -14.5276 11.2788 -5.80408 -42.4356 -7.18725 -38.2271 TIMING: 3387000 CPU: 9816.79, 0.00288355/step Wall: 9816.79, 0.00288355/step, 1.29199 hours remaining, 210.863281 MB of memory in use. ENERGY: 3387000 759.7359 2104.2632 1947.7576 107.3790 -206485.8741 17943.3435 0.0000 0.0000 34239.5052 -149383.8898 299.0221 -183623.3950 -149294.5247 299.0838 -45.8759 -12.2713 557755.6104 -0.3708 -0.2197 PRESSURE: 3387200 106.341 88.1261 2.21855 88.1257 40.7583 -91.8213 2.21937 -91.822 33.7703 GPRESSURE: 3387200 133.236 153.426 -98.2876 60.7464 69.2871 -132.266 37.3506 -111.16 64.1686 PRESSAVG: 3387200 -33.1725 -3.06726 9.14014 -3.06729 -10.7243 9.45653 9.14017 9.45649 63.9534 GPRESSAVG: 3387200 -34.3005 -2.40413 7.32012 -1.37714 -9.5145 8.10298 11.4345 9.7359 64.0367 TIMING: 3387200 CPU: 9817.36, 0.00285337/step Wall: 9817.36, 0.00285337/step, 1.27831 hours remaining, 210.863281 MB of memory in use. ENERGY: 3387200 716.1923 2079.9140 1928.6680 110.4099 -206278.4883 17798.3772 0.0000 0.0000 34226.0653 -149418.8616 298.9047 -183644.9269 -149316.7484 298.6743 60.2900 88.8971 557266.1084 6.6855 6.7405 PRESSURE: 3387400 -7.35234 -79.3158 153.34 -79.3156 -37.2818 -158.507 153.339 -158.506 -122.75 GPRESSURE: 3387400 -31.237 -66.5437 63.8143 -19.0344 4.06474 -106.729 141.187 -145.532 -42.9114 PRESSAVG: 3387400 5.74309 2.65828 -33.1072 2.65816 -6.69036 31.3733 -33.1071 31.3732 -8.32799 GPRESSAVG: 3387400 6.91223 0.622997 -31.9147 2.83964 -7.51268 29.6732 -32.8528 33.067 -9.08571 TIMING: 3387400 CPU: 9817.94, 0.00288242/step Wall: 9817.94, 0.00288242/step, 1.29116 hours remaining, 210.863281 MB of memory in use. ENERGY: 3387400 738.3422 2093.9017 1941.8313 131.4902 -206239.3986 17821.1886 0.0000 0.0000 34185.2619 -149327.3826 298.5484 -183512.6445 -149231.3095 298.4912 -55.7946 -23.3612 558751.0919 -3.0918 -3.2287 PRESSURE: 3387600 21.2695 -6.38231 -14.8656 -6.38185 64.6884 -153.895 -14.8664 -153.896 -126.516 GPRESSURE: 3387600 48.0963 -105.125 -57.8656 74.8512 99.1319 -156.327 110.723 -89.8389 -89.9954 PRESSAVG: 3387600 -27.3767 -15.5308 -31.5362 -15.5308 -34.816 -56.4739 -31.5362 -56.4739 44.0523 GPRESSAVG: 3387600 -28.792 -12.6603 -33.7308 -17.4841 -33.7079 -53.6684 -28.9491 -57.3726 44.1051 TIMING: 3387600 CPU: 9818.52, 0.00288857/step Wall: 9818.52, 0.00288857/step, 1.29376 hours remaining, 210.863281 MB of memory in use. ENERGY: 3387600 713.0282 2057.4929 1968.7318 116.3190 -206587.6867 17974.3013 0.0000 0.0000 34316.5591 -149441.2544 299.6950 -183757.8136 -149337.5869 298.6964 -13.5194 19.0776 557761.5818 -6.0468 -6.1316 PRESSURE: 3387800 -351.249 -19.529 27.3456 -19.5299 0.0505728 103.339 27.3456 103.337 -152.437 GPRESSURE: 3387800 -329.594 25.5971 -6.73305 -89.2098 52.0143 18.5553 9.89231 101.599 -127.701 PRESSAVG: 3387800 -32.15 1.38022 -5.7472 1.38027 50.212 -31.3431 -5.74732 -31.3431 -30.481 GPRESSAVG: 3387800 -31.2663 0.00891586 -4.54198 0.872146 49.5436 -31.0941 -8.26811 -33.3875 -30.7429 TIMING: 3387800 CPU: 9819.1, 0.00290052/step Wall: 9819.1, 0.00290052/step, 1.29895 hours remaining, 210.863281 MB of memory in use. ENERGY: 3387800 756.2985 2103.8274 1958.3443 116.0215 -206296.4370 17619.5301 0.0000 0.0000 34435.6498 -149306.7655 300.7351 -183742.4153 -149211.0689 299.1831 -167.8786 -135.0938 557238.2092 -4.1397 -4.1552 PRESSURE: 3388000 204.143 -113.937 -43.4778 -113.938 42.5915 87.1522 -43.477 87.1522 51.9723 GPRESSURE: 3388000 149.908 -149.72 -21.9287 -59.391 82.4627 70.0687 -91.2679 82.6663 163.473 PRESSAVG: 3388000 -8.80941 -56.246 -25.8534 -56.2461 48.0436 -31.1354 -25.8534 -31.1354 -59.7849 GPRESSAVG: 3388000 -7.82956 -53.8371 -27.4918 -56.3761 47.3461 -32.5176 -23.8393 -29.9305 -60.3602 TIMING: 3388000 CPU: 9819.68, 0.00289827/step Wall: 9819.68, 0.00289827/step, 1.29778 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3388000 728.9302 2100.8833 1977.4399 123.8506 -206401.2921 17939.2118 0.0000 0.0000 34343.1797 -149187.7965 299.9275 -183530.9763 -149094.4029 298.8257 99.5688 131.9480 557348.6222 -6.8502 -6.9479 PRESSURE: 3388200 -220.838 -87.2345 130.947 -87.2344 -45.2759 -16.3818 130.947 -16.3813 351.903 GPRESSURE: 3388200 -175.509 -99.2569 175.655 -69.2314 -18.9969 19.0774 5.19429 23.124 376.975 PRESSAVG: 3388200 16.9019 -14.1989 17.3684 -14.1989 -26.519 -13.2426 17.3684 -13.2426 71.9054 GPRESSAVG: 3388200 16.365 -17.2356 18.848 -13.8225 -26.3182 -13.2062 15.2733 -12.2102 72.4928 TIMING: 3388200 CPU: 9820.26, 0.00288686/step Wall: 9820.26, 0.00288686/step, 1.29251 hours remaining, 210.863281 MB of memory in use. ENERGY: 3388200 728.6202 2162.7631 1938.9220 121.8797 -206322.3933 17773.6257 0.0000 0.0000 34354.2132 -149242.3693 300.0239 -183596.5826 -149152.9509 299.1032 28.5965 60.8230 555855.5515 20.7628 20.8465 LDB: ============= START OF LOAD BALANCING ============== 9823.64 LDB: ============== END OF LOAD BALANCING =============== 9823.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9823.64 LDB: ============= START OF LOAD BALANCING ============== 9823.93 LDB: Largest compute 4772 load 0.023280 is 19.7% of average load 0.118078 LDB: Average compute 0.001723 is 1.5% of average load 0.118078 LDB: TIME 9823.94 LOAD: AVG 0.118078 MAX 0.177543 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 9823.94 LOAD: AVG 0.118078 MAX 0.177543 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.703 MB LDB: TIME 9823.94 LOAD: AVG 0.118078 MAX 0.177543 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.703 MB LDB: ============== END OF LOAD BALANCING =============== 9823.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9823.94 PRESSURE: 3388400 31.6531 154.357 15.978 154.357 -187.126 -20.175 15.9775 -20.1737 -95.4584 GPRESSURE: 3388400 53.7554 160.978 29.9356 13.6813 -168.307 -48.3129 -104.814 -45.3549 -29.0048 PRESSAVG: 3388400 -41.0639 19.765 -12.4626 19.765 8.61926 -45.9665 -12.4626 -45.9665 10.0992 GPRESSAVG: 3388400 -41.81 19.4356 -10.6934 20.307 9.02443 -46.2712 -13.3682 -47.8121 10.295 TIMING: 3388400 CPU: 9820.85, 0.00295544/step Wall: 9820.85, 0.00295544/step, 1.32305 hours remaining, 210.460938 MB of memory in use. ENERGY: 3388400 751.2319 2101.4006 1951.3264 112.0328 -206311.9229 17769.9603 0.0000 0.0000 34259.3327 -149366.6381 299.1953 -183625.9708 -149270.4559 298.7708 -83.6438 -47.8522 555888.4323 -7.4485 -7.4969 PRESSURE: 3388600 -13.3976 33.3594 168.84 33.3598 -355.584 -2.8931 168.839 -2.8948 -422.676 GPRESSURE: 3388600 -11.6296 21.0731 223.419 53.2806 -298.244 -23.3735 111.187 -32.643 -385.235 PRESSAVG: 3388600 -7.25005 83.8194 12.3018 83.8195 -47.0035 25.1887 12.3017 25.1886 22.0093 GPRESSAVG: 3388600 -6.42448 85.2864 11.3552 84.0523 -47.1437 26.2695 13.8561 26.8683 21.3414 TIMING: 3388600 CPU: 9821.42, 0.00288261/step Wall: 9821.42, 0.00288261/step, 1.29029 hours remaining, 210.460938 MB of memory in use. ENERGY: 3388600 726.3798 2130.1766 1910.1266 112.5262 -205803.3142 17288.6909 0.0000 0.0000 34245.9430 -149389.4711 299.0783 -183635.4141 -149290.3842 298.9754 -263.8858 -231.7028 557084.4310 -10.7481 -10.7423 PRESSURE: 3388800 216.123 -33.3044 132.071 -33.3056 61.5427 -15.1424 132.07 -15.1419 263.882 GPRESSURE: 3388800 209.411 40.7454 87.3683 -73.1385 105.031 -24.9746 151.262 32.4963 327.515 PRESSAVG: 3388800 -6.87519 55.86 -1.60403 55.8599 -23.019 75.2403 -1.60401 75.2402 63.7368 GPRESSAVG: 3388800 -6.69746 55.4212 -3.05831 56.4846 -23.2236 73.5818 -0.693029 75.6439 64.0942 TIMING: 3388800 CPU: 9822, 0.00288708/step Wall: 9822, 0.00288708/step, 1.29213 hours remaining, 210.460938 MB of memory in use. ENERGY: 3388800 730.7913 2094.5941 1927.3241 105.7937 -206417.0902 18102.7846 0.0000 0.0000 34122.7431 -149333.0592 298.0024 -183455.8024 -149243.8381 298.7189 180.5160 213.9856 557228.6071 11.2809 11.3910 PRESSURE: 3389000 56.3098 -52.2885 124.399 -52.2893 75.8931 110.369 124.399 110.368 -87.2928 GPRESSURE: 3389000 33.9206 -73.3305 66.2741 -93.7632 136.398 73.0145 56.333 123.715 -30.9246 PRESSAVG: 3389000 66.2032 43.1523 -29.2859 43.1523 6.08782 22.3897 -29.2859 22.3896 -101.1 GPRESSAVG: 3389000 65.3903 42.6497 -26.7319 41.8061 7.33909 23.4637 -32.5693 23.0152 -101.701 TIMING: 3389000 CPU: 9822.58, 0.00289326/step Wall: 9822.58, 0.00289326/step, 1.29473 hours remaining, 210.460938 MB of memory in use. ENERGY: 3389000 706.8397 2129.3599 1938.0008 107.0958 -205997.1459 17544.3034 0.0000 0.0000 34205.3768 -149366.1695 298.7241 -183571.5463 -149271.7710 298.7218 14.9701 46.4648 556326.6889 -9.6030 -9.6574 PRESSURE: 3389200 -156.49 10.2746 -13.9706 10.2746 -191.003 14.892 -13.9705 14.8925 -394.69 GPRESSURE: 3389200 -102.037 114.898 -65.5868 -65.8885 -111.208 -26.3114 -35.9391 83.5474 -414.528 PRESSAVG: 3389200 -37.1118 -16.4082 7.69654 -16.4081 -10.2853 -23.3867 7.69653 -23.3867 30.0486 GPRESSAVG: 3389200 -38.273 -16.339 7.95134 -15.3335 -9.49059 -24.1438 7.84289 -22.6555 30.4761 TIMING: 3389200 CPU: 9823.16, 0.0028944/step Wall: 9823.16, 0.0028944/step, 1.29509 hours remaining, 210.460938 MB of memory in use. ENERGY: 3389200 745.4777 2137.4624 1955.9352 123.5985 -206068.4849 17571.5876 0.0000 0.0000 34198.7698 -149335.6536 298.6664 -183534.4234 -149237.3115 298.4619 -247.3944 -209.2577 557399.8636 -5.7828 -5.7625 PRESSURE: 3389400 171.207 -30.6523 -5.7084 -30.6518 151.946 15.3697 -5.70774 15.3678 36.3416 GPRESSURE: 3389400 219.307 30.5481 -67.5165 -30.0539 178.589 -15.2062 62.2036 -9.48731 69.1718 PRESSAVG: 3389400 -22.8965 -8.40489 -34.1322 -8.40498 64.5636 -5.39178 -34.1322 -5.39177 -16.7623 GPRESSAVG: 3389400 -21.8482 -7.34471 -34.9872 -8.99524 62.9155 -5.43227 -31.8336 -5.74668 -16.2835 TIMING: 3389400 CPU: 9823.74, 0.00290114/step Wall: 9823.74, 0.00290113/step, 1.29794 hours remaining, 210.460938 MB of memory in use. ENERGY: 3389400 758.5200 2088.2493 1963.8756 126.5975 -206359.3786 17918.6492 0.0000 0.0000 34337.1329 -149166.3541 299.8747 -183503.4870 -149071.9259 299.7100 119.8316 155.6891 555569.3414 8.3016 8.2613 PRESSURE: 3389600 -7.23433 44.1396 35.6595 44.1401 -286.408 9.50534 35.6598 9.50483 -120.484 GPRESSURE: 3389600 -3.14149 52.0823 -36.766 44.5765 -232.584 22.3717 25.4197 57.5893 -81.0249 PRESSAVG: 3389600 40.2159 16.4266 -18.9143 16.4267 -12.3957 4.97464 -18.9143 4.97444 -21.194 GPRESSAVG: 3389600 39.819 13.7916 -20.0314 16.7412 -12.1414 6.39132 -19.0248 3.34792 -21.1624 TIMING: 3389600 CPU: 9824.32, 0.00290094/step Wall: 9824.32, 0.00290094/step, 1.29769 hours remaining, 210.460938 MB of memory in use. ENERGY: 3389600 734.7832 2161.9967 1937.1975 99.9410 -205801.9177 17482.3856 0.0000 0.0000 34221.0115 -149164.6023 298.8606 -183385.6138 -149064.8382 300.1183 -138.0420 -105.5833 557375.9147 2.2087 2.1717 PRESSURE: 3389800 177.192 -14.6993 -84.3185 -14.6989 -112.586 2.03046 -84.3173 2.03069 186.816 GPRESSURE: 3389800 209.962 25.5773 -91.7184 44.3414 -69.519 9.92102 -153.575 -84.5097 200.85 PRESSAVG: 3389800 69.0501 -28.7439 -5.62505 -28.7439 -55.3353 -23.8508 -5.62499 -23.8508 8.78418 GPRESSAVG: 3389800 67.9436 -27.8259 -5.41772 -28.367 -54.2334 -25.0827 -5.76337 -22.7482 8.79585 TIMING: 3389800 CPU: 9824.9, 0.00289043/step Wall: 9824.9, 0.00289043/step, 1.29283 hours remaining, 210.460938 MB of memory in use. ENERGY: 3389800 717.9148 2091.7624 1953.5525 116.9959 -206326.6084 17787.4856 0.0000 0.0000 34338.9835 -149319.9137 299.8909 -183658.8973 -149225.0172 298.9481 83.8073 113.7644 555945.7169 7.4997 7.5020 PRESSURE: 3390000 14.2413 -127.085 -46.8935 -127.086 73.5138 -39.3906 -46.8938 -39.3911 115.422 GPRESSURE: 3390000 64.8475 -6.64834 -88.9342 -167.118 112.192 -36.6597 -0.14633 -114.168 117.08 PRESSAVG: 3390000 28.5741 7.97071 -22.5704 7.9707 -55.5718 37.4833 -22.5704 37.4832 8.97859 GPRESSAVG: 3390000 30.0328 11.5698 -22.293 6.36977 -56.4952 36.0975 -23.7044 37.2594 8.60124 TIMING: 3390000 CPU: 9825.48, 0.00291831/step Wall: 9825.48, 0.00291831/step, 1.30513 hours remaining, 210.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3390000 734.0778 2106.4241 1941.5705 114.3751 -206379.2508 17803.7628 0.0000 0.0000 34232.6173 -149446.4232 298.9620 -183679.0405 -149353.5556 298.6791 67.7258 98.0399 556421.2059 -6.0064 -5.9537 PRESSURE: 3390200 409.959 57.8077 -32.9357 57.8069 2.41 -23.3661 -32.9356 -23.3667 -226.395 GPRESSURE: 3390200 441.539 77.7331 -25.7678 -24.6245 61.1908 -92.5957 12.799 19.0735 -224.361 PRESSAVG: 3390200 3.93946 44.5574 -19.6373 44.5573 71.0423 54.9646 -19.6372 54.9646 -78.2396 GPRESSAVG: 3390200 4.14213 41.5211 -20.9722 46.3956 71.0054 56.6409 -17.5575 54.9242 -78.4373 TIMING: 3390200 CPU: 9826.06, 0.00291386/step Wall: 9826.06, 0.00291386/step, 1.30298 hours remaining, 210.460938 MB of memory in use. ENERGY: 3390200 732.0556 2100.9784 1929.4842 104.9251 -206170.2310 17660.3939 0.0000 0.0000 34284.2260 -149358.1678 299.4127 -183642.3938 -149264.7523 298.7482 61.9916 92.7897 555072.0638 -1.0859 -1.0966 PRESSURE: 3390400 217.03 64.2984 24.705 64.2985 -227.466 115.25 24.7051 115.25 42.5813 GPRESSURE: 3390400 244.172 -27.6564 43.2585 135.675 -195.233 241.872 74.1318 94.5551 76.0416 PRESSAVG: 3390400 17.6362 11.0996 22.421 11.0996 63.3733 47.3286 22.421 47.3286 -73.2113 GPRESSAVG: 3390400 17.245 10.8013 24.6867 10.9416 62.5097 45.9072 22.9001 49.4669 -71.9989 TIMING: 3390400 CPU: 9826.65, 0.00291058/step Wall: 9826.65, 0.00291058/step, 1.30135 hours remaining, 210.460938 MB of memory in use. ENERGY: 3390400 716.3012 2075.4144 1926.5183 98.4207 -206344.5557 17894.3575 0.0000 0.0000 34242.4238 -149391.1199 299.0476 -183633.5437 -149293.9322 299.0452 10.7149 41.6601 558237.9683 2.5994 2.5853 PRESSURE: 3390600 -354.836 -50.2943 91.022 -50.2944 -154.98 -95.2268 91.0212 -95.2271 -236.085 GPRESSURE: 3390600 -324.283 -95.645 69.2617 44.2893 -159.171 -62.2769 65.7362 -80.8428 -170.394 PRESSAVG: 3390600 -11.3676 4.26929 62.6445 4.26915 -20.1502 18.7339 62.6445 18.7339 36.5622 GPRESSAVG: 3390600 -11.2941 5.33478 60.1487 4.32464 -20.3468 20.1117 60.3112 16.3612 36.4416 TIMING: 3390600 CPU: 9827.23, 0.00291947/step Wall: 9827.23, 0.00291947/step, 1.30516 hours remaining, 210.460938 MB of memory in use. ENERGY: 3390600 756.5837 2068.9810 1929.6200 118.7826 -206078.3407 17509.1186 0.0000 0.0000 34256.4507 -149438.8042 299.1701 -183695.2549 -149337.9953 298.9439 -248.6334 -217.9494 558104.0584 1.6815 1.6002 PRESSURE: 3390800 -291.217 -154.111 58.0374 -154.111 -245.289 40.913 58.0386 40.9121 -469.043 GPRESSURE: 3390800 -265.363 -148.459 105.699 -220.586 -202.283 62.2653 24.2722 84.0403 -436.557 PRESSAVG: 3390800 28.5093 -17.8682 -8.5748 -17.8682 40.2925 31.5714 -8.57479 31.5714 -30.5816 GPRESSAVG: 3390800 28.2133 -17.9214 -9.4793 -19.0237 40.6282 31.7712 -7.0023 34.4145 -30.6205 TIMING: 3390800 CPU: 9827.81, 0.00290796/step Wall: 9827.81, 0.00290796/step, 1.29986 hours remaining, 210.460938 MB of memory in use. ENERGY: 3390800 782.4431 2097.3322 1937.6604 118.8643 -205893.3810 17353.9818 0.0000 0.0000 34169.9008 -149433.1985 298.4142 -183603.0992 -149332.4936 298.6926 -335.1829 -301.4012 557347.8763 12.7401 12.7403 PRESSURE: 3391000 -270.069 -63.8682 -27.5031 -63.8691 -286.385 99.7263 -27.5025 99.7266 -209.294 GPRESSURE: 3391000 -223.735 -1.15639 -45.5296 -50.022 -227.898 153.012 46.2302 89.2411 -222.096 PRESSAVG: 3391000 56.2589 24.2982 74.6345 24.2982 -37.6104 63.7158 74.6345 63.7159 4.48636 GPRESSAVG: 3391000 55.5878 23.3675 76.577 27.6544 -37.1424 63.1607 74.0228 62.0646 4.13143 TIMING: 3391000 CPU: 9828.39, 0.00289826/step Wall: 9828.39, 0.00289826/step, 1.29536 hours remaining, 210.460938 MB of memory in use. ENERGY: 3391000 769.7937 2101.1759 1944.0039 122.6444 -205912.5500 17478.6461 0.0000 0.0000 34196.2452 -149300.0407 298.6443 -183496.2859 -149206.9805 298.8939 -255.2495 -224.5764 558186.6292 7.7116 7.5256 PRESSURE: 3391200 -7.58118 14.734 100.447 14.7331 36.1277 -8.07849 100.447 -8.07788 118.254 GPRESSURE: 3391200 18.8288 -16.203 86.4358 -24.854 82.3666 -22.2973 140.274 -28.0957 134.854 PRESSAVG: 3391200 18.7955 19.9859 77.5703 19.9859 -24.3833 36.5894 77.5701 36.5894 8.30508 GPRESSAVG: 3391200 18.8064 19.6456 75.2167 19.9349 -24.0418 38.3372 79.6688 34.6403 8.40572 TIMING: 3391200 CPU: 9828.97, 0.00291989/step Wall: 9828.97, 0.00291989/step, 1.30487 hours remaining, 210.460938 MB of memory in use. ENERGY: 3391200 712.7826 2095.0087 1960.8269 112.1722 -206260.8539 17910.8096 0.0000 0.0000 34101.1814 -149368.0724 297.8141 -183469.2538 -149271.0882 298.6466 48.9335 78.6830 557570.7037 0.9058 1.0568 PRESSURE: 3391400 203.406 -81.6435 -44.8503 -81.6433 86.273 0.868228 -44.8502 0.867996 160.174 GPRESSURE: 3391400 244.315 -39.7638 -120.854 -75.4785 121.82 -38.3004 -74.0812 -76.2377 177.515 PRESSAVG: 3391400 -37.4935 -15.1148 11.3191 -15.115 -4.73449 -12.5575 11.3191 -12.5574 9.60789 GPRESSAVG: 3391400 -36.2281 -13.7323 11.5287 -16.4533 -4.8855 -12.6235 10.1563 -12.7918 8.72242 TIMING: 3391400 CPU: 9829.55, 0.00287878/step Wall: 9829.55, 0.00287878/step, 1.28634 hours remaining, 210.460938 MB of memory in use. ENERGY: 3391400 750.9033 2096.2187 1941.3591 123.7836 -206246.6202 17988.7197 0.0000 0.0000 34032.9567 -149312.6791 297.2183 -183345.6358 -149224.6621 298.7450 149.9512 181.2168 557242.2213 -10.8734 -10.7971 PRESSURE: 3391600 -130.519 -98.5324 -83.5899 -98.5336 156.198 36.4985 -83.5887 36.4986 -110.533 GPRESSURE: 3391600 -99.4293 -21.1181 -79.0764 -141.011 207.797 124.937 -36.8739 -42.342 -92.9081 PRESSAVG: 3391600 -51.009 -1.48396 16.353 -1.48404 71.7729 15.6914 16.353 15.6915 -3.48863 GPRESSAVG: 3391600 -51.6334 -0.960283 17.4685 -2.79091 70.5739 14.4802 16.0948 18.5368 -2.00228 TIMING: 3391600 CPU: 9830.12, 0.00286759/step Wall: 9830.12, 0.00286759/step, 1.28118 hours remaining, 210.460938 MB of memory in use. ENERGY: 3391600 715.9674 2129.8157 1991.4131 121.3331 -206366.8113 17693.0254 0.0000 0.0000 34350.0556 -149365.2009 299.9876 -183715.2565 -149269.2243 298.4649 -28.2844 5.1531 556731.9303 5.7584 5.6461 PRESSURE: 3391800 -42.0106 87.3367 -66.2476 87.3357 -98.8459 23.5438 -66.2462 23.544 -51.7602 GPRESSURE: 3391800 17.1402 95.26 0.268143 118.819 -113.16 57.3009 -73.1634 -15.7093 -7.38372 PRESSAVG: 3391800 7.15622 31.5701 -45.4789 31.5701 -34.0435 60.3183 -45.4787 60.3182 22.6863 GPRESSAVG: 3391800 6.23952 31.9912 -43.6815 32.9951 -32.1473 61.6878 -45.2773 57.6408 21.5274 TIMING: 3391800 CPU: 9830.7, 0.00286336/step Wall: 9830.7, 0.00286336/step, 1.27913 hours remaining, 210.460938 MB of memory in use. ENERGY: 3391800 744.5981 2125.4852 1932.0138 118.3317 -206331.8724 17874.4958 0.0000 0.0000 34120.2241 -149416.7238 297.9804 -183536.9478 -149321.0424 298.6575 -64.2056 -34.4678 558872.4658 -1.4003 -1.4601 PRESSURE: 3392000 -398.258 -53.5173 0.833276 -53.5175 -46.3636 -44.7374 0.833134 -44.7372 -76.0195 GPRESSURE: 3392000 -389.198 -54.0062 -18.9685 7.59399 -27.8653 -37.4899 97.9415 17.1465 -10.1218 PRESSAVG: 3392000 4.07799 -7.25426 49.1322 -7.25419 16.3038 6.07604 49.1322 6.07605 -19.6083 GPRESSAVG: 3392000 4.49614 -8.02639 45.8775 -6.22034 15.9413 5.69977 49.9773 7.19401 -19.635 TIMING: 3392000 CPU: 9831.27, 0.00289042/step Wall: 9831.27, 0.00289042/step, 1.29105 hours remaining, 210.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3392000 738.8535 2154.4606 1929.7019 110.1144 -206227.5042 17660.0009 0.0000 0.0000 34296.3488 -149338.0240 299.5185 -183634.3728 -149241.4409 298.6531 -173.5470 -142.3950 558957.4748 0.2578 0.2675 PRESSURE: 3392200 121.543 -222.268 22.1837 -222.268 -399.373 3.2825 22.1838 3.28131 -20.0536 GPRESSURE: 3392200 158.42 -206.742 -21.1645 -270.368 -401.655 -7.60315 40.5944 -105.432 50.0975 PRESSAVG: 3392200 35.2759 13.0831 9.77964 13.0832 -20.5496 27.3364 9.77963 27.3363 -25.8433 GPRESSAVG: 3392200 34.9246 14.2113 11.0417 10.6849 -19.7353 25.4767 8.01875 26.0243 -26.7234 TIMING: 3392200 CPU: 9831.85, 0.00288779/step Wall: 9831.85, 0.00288779/step, 1.28972 hours remaining, 210.460938 MB of memory in use. ENERGY: 3392200 765.2248 2105.6050 1933.8574 111.0286 -205976.3545 17716.7343 0.0000 0.0000 34129.0957 -149214.8087 298.0579 -183343.9044 -149125.7993 299.1824 -99.2944 -64.3793 558705.9614 -3.7057 -3.8447 LDB: ============= START OF LOAD BALANCING ============== 9835.24 LDB: ============== END OF LOAD BALANCING =============== 9835.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9835.24 LDB: ============= START OF LOAD BALANCING ============== 9835.53 LDB: Largest compute 4772 load 0.024410 is 20.7% of average load 0.118014 LDB: Average compute 0.001723 is 1.5% of average load 0.118014 LDB: TIME 9835.53 LOAD: AVG 0.118014 MAX 0.181992 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.98 MB LDB: TIME 9835.53 LOAD: AVG 0.118014 MAX 0.181992 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.184 MB LDB: TIME 9835.53 LOAD: AVG 0.118014 MAX 0.181992 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9835.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9835.54 PRESSURE: 3392400 41.1662 43.2164 11.4481 43.2178 -99.8796 19.605 11.449 19.6066 20.5357 GPRESSURE: 3392400 49.2747 27.3826 21.8939 12.8136 -45.5869 21.4452 -39.9328 12.0127 58.6582 PRESSAVG: 3392400 -27.9351 68.1785 10.9447 68.1785 -26.1513 -18.9945 10.9446 -18.9944 49.1522 GPRESSAVG: 3392400 -27.8814 69.278 12.4222 67.4308 -27.1727 -16.3649 11.0481 -19.5269 50.3849 TIMING: 3392400 CPU: 9832.44, 0.00296093/step Wall: 9832.44, 0.00296093/step, 1.32222 hours remaining, 210.265625 MB of memory in use. ENERGY: 3392400 768.1091 2063.3811 1933.6955 118.6126 -206496.3669 18057.8772 0.0000 0.0000 34118.6681 -149436.0232 297.9668 -183554.6914 -149340.3660 298.2064 -12.7259 20.7820 559168.2348 -1.6447 -1.5564 PRESSURE: 3392600 302.401 140.632 12.3411 140.633 51.4301 113.549 12.3407 113.549 107.486 GPRESSURE: 3392600 297.052 90.1882 -70.9783 181.421 81.9227 1.42839 119.087 172.101 188.252 PRESSAVG: 3392600 52.5005 77.5708 29.2745 77.5709 17.49 -32.1294 29.2745 -32.1294 -20.2425 GPRESSAVG: 3392600 52.3718 73.5282 28.7965 78.1452 17.7091 -31.923 28.4487 -32.2206 -20.3644 TIMING: 3392600 CPU: 9833.03, 0.0029111/step Wall: 9833.03, 0.0029111/step, 1.29981 hours remaining, 210.265625 MB of memory in use. ENERGY: 3392600 758.4722 1952.0721 1946.6961 108.6831 -207076.0482 18469.5255 0.0000 0.0000 34523.3915 -149317.2076 301.5014 -183840.5991 -149220.0456 298.9359 153.7725 189.0755 558833.6523 16.5827 16.5722 PRESSURE: 3392800 27.5295 -162.401 -26.654 -162.402 120.836 42.7941 -26.6552 42.7929 26.0145 GPRESSURE: 3392800 13.2063 -132.83 -63.3221 -237.944 173.258 122.224 109.24 29.5541 81.5774 PRESSAVG: 3392800 -2.4969 96.8663 19.4499 96.8664 -48.5198 11.9481 19.45 11.9481 32.0278 GPRESSAVG: 3392800 -1.63679 98.6959 18.9295 96.472 -49.3051 11.7425 21.3774 13.5213 32.1624 TIMING: 3392800 CPU: 9833.61, 0.0029195/step Wall: 9833.61, 0.0029195/step, 1.30339 hours remaining, 210.265625 MB of memory in use. ENERGY: 3392800 761.3941 2076.4102 1933.7895 118.6073 -206519.1098 18059.9928 0.0000 0.0000 33962.6589 -149606.2571 296.6043 -183568.9159 -149517.2865 298.5339 58.1267 89.3471 558340.7341 -6.3296 -6.2598 PRESSURE: 3393000 117.263 169.565 -94.6861 169.564 147.107 -127.547 -94.6867 -127.547 92.9035 GPRESSURE: 3393000 184.201 80.4507 -132.724 170.792 176.539 -200.759 -126.137 -97.322 89.514 PRESSAVG: 3393000 -2.21288 12.1915 31.0189 12.1915 -1.46378 -16.4868 31.0189 -16.4868 21.6124 GPRESSAVG: 3393000 -1.60624 11.0803 29.896 12.0556 -2.83574 -17.4939 30.2081 -16.4364 22.3583 TIMING: 3393000 CPU: 9834.19, 0.00291147/step Wall: 9834.19, 0.00291147/step, 1.29965 hours remaining, 210.265625 MB of memory in use. ENERGY: 3393000 764.3594 2059.1985 1946.9200 106.3486 -206851.5591 18143.1451 0.0000 0.0000 34321.2052 -149510.3824 299.7356 -183831.5876 -149425.0215 298.4409 119.0913 150.0844 557729.7645 5.9786 5.9721 PRESSURE: 3393200 -56.3866 -96.6185 -243.485 -96.618 -155.899 -49.082 -243.484 -49.0817 -193.309 GPRESSURE: 3393200 -39.2949 -89.1647 -222.668 -76.8882 -92.1699 -58.1341 -233.845 -68.3752 -180.636 PRESSAVG: 3393200 51.0497 -46.918 -46.3669 -46.918 -25.9042 -51.0471 -46.3669 -51.0471 -40.1112 GPRESSAVG: 3393200 49.4871 -50.211 -45.3695 -44.2151 -23.8781 -49.4454 -45.5606 -52.5271 -40.731 TIMING: 3393200 CPU: 9834.77, 0.00288458/step Wall: 9834.77, 0.00288458/step, 1.28749 hours remaining, 210.265625 MB of memory in use. ENERGY: 3393200 760.0751 2050.9748 1966.1086 114.7230 -205861.9128 17596.8329 0.0000 0.0000 34090.1972 -149283.0012 297.7182 -183373.1984 -149188.7789 299.1248 -135.1981 -104.0337 559793.6197 -4.9886 -5.0407 PRESSURE: 3393400 -71.6492 7.72942 10.5126 7.72934 -199.557 205.371 10.5134 205.37 -129.166 GPRESSURE: 3393400 -71.0234 -10.9831 37.1969 28.4988 -142.147 71.5764 -102.6 209.946 -94.364 PRESSAVG: 3393400 9.75347 -4.16158 -2.66568 -4.16166 -0.940004 -52.4971 -2.66567 -52.4971 -9.62181 GPRESSAVG: 3393400 11.1494 -1.76776 -1.87319 -5.7783 -1.78597 -54.2305 -5.58873 -51.0121 -10.3424 TIMING: 3393400 CPU: 9835.35, 0.00290061/step Wall: 9835.35, 0.00290061/step, 1.29448 hours remaining, 210.265625 MB of memory in use. ENERGY: 3393400 699.8941 2079.4979 1941.2741 101.7263 -205645.3225 17486.5435 0.0000 0.0000 34064.8937 -149271.4930 297.4972 -183336.3867 -149168.9681 298.8847 -133.4574 -102.5116 558254.4062 -0.2694 -0.3264 PRESSURE: 3393600 185.459 -35.6307 99.7469 -35.6303 16.0375 -29.2504 99.7468 -29.2504 5.8727 GPRESSURE: 3393600 174.637 -38.3487 102.1 65.3046 87.0283 -84.1963 75.7603 -35.8234 40.342 PRESSAVG: 3393600 -10.9501 12.969 15.1037 12.9689 -59.9388 -6.67071 15.1037 -6.67063 73.2115 GPRESSAVG: 3393600 -10.2721 13.608 15.1771 13.8505 -60.2467 -4.72371 16.0391 -9.65361 73.2421 TIMING: 3393600 CPU: 9835.93, 0.00290796/step Wall: 9835.93, 0.00290796/step, 1.2976 hours remaining, 210.265625 MB of memory in use. ENERGY: 3393600 741.3324 2071.0784 1963.8038 110.8942 -206462.9133 18020.2663 0.0000 0.0000 34319.9010 -149235.6372 299.7242 -183555.5383 -149143.7107 298.5757 69.1230 100.6690 557485.6248 0.7742 0.9078 PRESSURE: 3393800 -23.4858 60.0658 24.2911 60.066 -49.364 -21.7191 24.2905 -21.7186 -165.507 GPRESSURE: 3393800 -3.43374 127.237 41.8957 36.6154 -10.9912 54.9477 -46.4399 -59.2237 -124.977 PRESSAVG: 3393800 -11.4348 46.677 -2.70486 46.6769 -49.282 -10.3816 -2.70488 -10.3815 87.2674 GPRESSAVG: 3393800 -12.6772 48.2995 -2.96939 44.423 -47.6895 -10.513 -0.761026 -8.55411 86.4894 TIMING: 3393800 CPU: 9836.51, 0.00289966/step Wall: 9836.51, 0.00289966/step, 1.29373 hours remaining, 210.265625 MB of memory in use. ENERGY: 3393800 762.4080 2115.5688 1957.9236 104.8937 -206461.7903 17902.4530 0.0000 0.0000 34212.6697 -149405.8736 298.7878 -183618.5432 -149312.4783 298.7571 -79.4524 -46.4672 558203.0331 8.8502 8.7076 PRESSURE: 3394000 -113.329 -20.5292 0.809497 -20.5291 -369.867 58.7818 0.810151 58.7813 47.1187 GPRESSURE: 3394000 -79.0946 -32.274 65.2536 -9.46093 -271.942 0.0512026 -34.7474 127.93 17.2274 PRESSAVG: 3394000 -33.9185 29.3851 15.0022 29.3851 32.3213 20.1062 15.0021 20.1063 4.2061 GPRESSAVG: 3394000 -34.0798 28.4748 16.0096 29.9776 31.7201 18.9294 14.2443 21.3833 5.47325 TIMING: 3394000 CPU: 9837.09, 0.00289487/step Wall: 9837.09, 0.00289487/step, 1.29143 hours remaining, 210.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3394000 747.7862 2074.8766 1961.1439 108.9877 -206117.9485 17719.0185 0.0000 0.0000 34046.1633 -149459.9724 297.3336 -183506.1356 -149367.7186 298.9506 -145.3592 -111.2697 559082.4681 0.8696 1.0379 PRESSURE: 3394200 -151.044 -0.48092 -8.21226 -0.480628 94.086 -87.2446 -8.21184 -87.2437 -232.81 GPRESSURE: 3394200 -127.273 56.4171 -75.1221 -11.6113 98.1131 -93.1696 35.1233 -85.1362 -168.415 PRESSAVG: 3394200 65.4189 3.58447 -19.3539 3.58457 13.0235 -25.6667 -19.3539 -25.6666 -63.4869 GPRESSAVG: 3394200 65.5431 4.34844 -20.3439 2.86172 12.8647 -26.6305 -19.3152 -26.9008 -63.5345 TIMING: 3394200 CPU: 9837.67, 0.0028859/step Wall: 9837.67, 0.0028859/step, 1.28727 hours remaining, 210.265625 MB of memory in use. ENERGY: 3394200 777.7405 2062.6207 1940.3625 115.7288 -206300.6924 17832.8774 0.0000 0.0000 34152.5283 -149418.8342 298.2625 -183571.3625 -149328.7011 298.2956 -96.5893 -65.8583 558227.3510 4.9852 4.9578 PRESSURE: 3394400 75.2487 118.23 -48.6265 118.228 275.6 117.741 -48.6265 117.741 -43.602 GPRESSURE: 3394400 125.123 136.608 -31.7916 156.966 246.333 75.5262 -53.9365 149.772 31.2347 PRESSAVG: 3394400 35.7674 -22.6314 17.0251 -22.6314 22.8225 -4.52038 17.025 -4.5202 -67.2054 GPRESSAVG: 3394400 36.4648 -23.2887 17.9467 -20.7282 22.2617 -1.40871 16.2808 -5.79134 -67.8372 TIMING: 3394400 CPU: 9838.24, 0.00285939/step Wall: 9838.24, 0.00285939/step, 1.27529 hours remaining, 210.265625 MB of memory in use. ENERGY: 3394400 766.4019 2022.8946 1944.0160 112.8022 -206785.0830 18210.1957 0.0000 0.0000 34242.7251 -149486.0473 299.0502 -183728.7724 -149384.4681 297.5478 102.4155 134.2304 558216.5294 -2.8718 -3.0369 PRESSURE: 3394600 -62.1963 114.127 -71.3376 114.126 -234.963 16.7611 -71.3385 16.7617 107.386 GPRESSURE: 3394600 -56.3282 159.277 -36.2495 70.855 -197.837 -38.8112 -45.4119 36.7567 159.547 PRESSAVG: 3394600 67.0798 -38.5655 -20.2014 -38.5655 0.207443 -24.906 -20.2014 -24.906 -94.7816 GPRESSAVG: 3394600 65.9111 -38.2419 -20.7861 -38.3007 1.60007 -24.9171 -18.2485 -24.3424 -95.014 TIMING: 3394600 CPU: 9838.81, 0.00286667/step Wall: 9838.81, 0.00286667/step, 1.27837 hours remaining, 210.265625 MB of memory in use. ENERGY: 3394600 721.3718 2084.9787 1948.3423 119.8419 -206181.1903 17782.2712 0.0000 0.0000 34052.8286 -149471.5558 297.3918 -183524.3844 -149379.2326 297.9061 -63.2578 -31.5395 558516.3429 -9.1648 -9.1676 PRESSURE: 3394800 -179.96 -142.965 -15.0323 -142.964 -217.784 154.359 -15.0327 154.36 -46.5103 GPRESSURE: 3394800 -132.223 -77.5428 -73.6919 -127.697 -200.611 120.214 -15.8199 190.048 -9.75661 PRESSAVG: 3394800 1.66472 -2.88463 -25.2192 -2.88463 -16.413 5.39491 -25.2192 5.395 37.2708 GPRESSAVG: 3394800 1.75815 -2.28643 -23.8601 -4.36733 -18.4245 3.83053 -27.3353 5.55088 39.0904 TIMING: 3394800 CPU: 9839.39, 0.00288858/step Wall: 9839.39, 0.00288858/step, 1.28799 hours remaining, 210.265625 MB of memory in use. ENERGY: 3394800 768.8790 2072.0244 1965.6658 113.4673 -205859.5221 17565.3449 0.0000 0.0000 33863.0352 -149511.1055 295.7343 -183374.1407 -149416.2085 298.6377 -148.0850 -114.1970 556668.3495 7.5075 7.4747 PRESSURE: 3395000 271.15 -91.8817 -76.3347 -91.8819 95.4367 76.1266 -76.3341 76.1273 20.9361 GPRESSURE: 3395000 333.327 -147.32 -171.329 -68.5716 131.04 109.147 -3.05088 112.811 21.0731 PRESSAVG: 3395000 51.0004 -24.0084 -32.8389 -24.0083 0.321392 -1.94678 -32.8388 -1.94678 -47.1266 GPRESSAVG: 3395000 50.9723 -25.7633 -32.9373 -24.0454 0.168273 -1.09335 -33.8582 -1.3209 -46.6504 TIMING: 3395000 CPU: 9839.97, 0.00288038/step Wall: 9839.97, 0.00288038/step, 1.28417 hours remaining, 210.265625 MB of memory in use. ENERGY: 3395000 716.4754 2118.8514 1946.5208 109.8341 -206294.0246 17802.9526 0.0000 0.0000 34073.0940 -149526.2961 297.5688 -183599.3901 -149429.1097 298.9040 129.1742 161.8133 557395.2620 1.3984 1.4967 PRESSURE: 3395200 143.678 30.9805 -80.0964 30.9798 -188.006 -95.1499 -80.0973 -95.1489 -220.933 GPRESSURE: 3395200 135.181 -16.734 -59.2613 36.2418 -141.495 -173.864 -120.586 -191.211 -162.558 PRESSAVG: 3395200 57.8748 -12.9198 4.99527 -12.9198 -33.8434 13.1078 4.99532 13.1078 6.72177 GPRESSAVG: 3395200 58.1205 -12.608 2.87607 -11.6873 -33.5081 11.9802 7.45116 13.7583 6.62087 TIMING: 3395200 CPU: 9840.55, 0.0028961/step Wall: 9840.55, 0.0028961/step, 1.29102 hours remaining, 210.265625 MB of memory in use. ENERGY: 3395200 735.6130 2064.7031 1958.7202 116.6039 -206230.9714 17831.0799 0.0000 0.0000 34154.6822 -149369.5692 298.2813 -183524.2513 -149278.0205 298.5005 -88.4206 -56.2908 558066.9408 10.2511 10.4111 PRESSURE: 3395400 -513.142 -23.3551 34.202 -23.3552 -366.37 -143.686 34.2012 -143.686 -329.719 GPRESSURE: 3395400 -478.173 35.0533 13.061 -64.0003 -372.011 -141.191 121.809 -126.756 -260.579 PRESSAVG: 3395400 -5.6029 52.3334 -2.03539 52.3334 -46.8108 5.21629 -2.03538 5.21637 18.1186 GPRESSAVG: 3395400 -4.9097 52.2963 0.505002 49.2235 -45.3171 5.11792 -3.97436 4.30971 16.4492 TIMING: 3395400 CPU: 9841.13, 0.00291373/step Wall: 9841.13, 0.00291373/step, 1.29872 hours remaining, 210.265625 MB of memory in use. ENERGY: 3395400 763.5737 2129.2175 1945.0128 117.1433 -205843.3008 17483.3833 0.0000 0.0000 34103.2089 -149301.7613 297.8318 -183404.9702 -149211.0334 298.0096 -403.0770 -370.2545 560107.4349 -11.4317 -11.2592 PRESSURE: 3395600 -352.67 99.9072 -1.22251 99.9069 55.2188 -67.0375 -1.2243 -67.0378 -177.626 GPRESSURE: 3395600 -294.735 20.0225 9.45693 120.224 14.2348 46.7383 -5.24673 -54.1204 -101.528 PRESSAVG: 3395600 -20.2501 8.45899 -14.2864 8.45911 8.01631 -25.8104 -14.2864 -25.8104 -31.4508 GPRESSAVG: 3395600 -21.4579 6.95827 -14.511 9.64256 8.01325 -24.3358 -13.9698 -26.6135 -30.3778 TIMING: 3395600 CPU: 9841.71, 0.00289489/step Wall: 9841.71, 0.00289489/step, 1.29016 hours remaining, 210.265625 MB of memory in use. ENERGY: 3395600 692.8138 2070.3112 1958.5444 116.8558 -205824.9188 17466.2440 0.0000 0.0000 34246.6597 -149273.4899 299.0846 -183520.1495 -149180.6298 299.2469 -158.3590 -127.3429 558577.8614 -14.5615 -14.6075 PRESSURE: 3395800 -161.308 -38.5483 19.7705 -38.5486 11.6652 35.8603 19.7699 35.8588 -157.095 GPRESSURE: 3395800 -108.229 -47.3467 -37.9085 -78.8292 43.3962 133.622 6.28226 -40.6595 -144.241 PRESSAVG: 3395800 -5.61347 61.021 -9.98179 61.021 9.43128 -4.37966 -9.98184 -4.37976 53.9883 GPRESSAVG: 3395800 -4.44774 60.2837 -9.98972 62.1461 8.38695 -2.76232 -12.2286 -5.02937 53.6655 TIMING: 3395800 CPU: 9842.29, 0.00290137/step Wall: 9842.29, 0.00290137/step, 1.29288 hours remaining, 210.265625 MB of memory in use. ENERGY: 3395800 759.2429 2097.4752 1956.8205 115.2766 -206152.9850 17769.5905 0.0000 0.0000 34274.6294 -149179.9500 299.3289 -183454.5793 -149084.3745 299.4923 -102.2459 -69.6912 557839.5832 19.2687 19.2016 PRESSURE: 3396000 98.4012 150.2 152.365 150.2 -61.3702 42.534 152.364 42.5344 -115.176 GPRESSURE: 3396000 124.006 15.2263 102.634 167.018 -11.1866 -51.6828 152.976 75.2591 -88.659 PRESSAVG: 3396000 -1.56703 46.4064 -9.08378 46.4064 51.3588 31.579 -9.08379 31.579 -27.9373 GPRESSAVG: 3396000 -3.34503 46.6198 -9.77231 44.2432 52.8432 27.6216 -7.05946 33.2722 -27.8517 TIMING: 3396000 CPU: 9842.87, 0.0028918/step Wall: 9842.87, 0.0028918/step, 1.28846 hours remaining, 210.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3396000 730.3892 2140.0575 1959.8581 105.3069 -206033.3970 17795.9119 0.0000 0.0000 34164.2735 -149137.5999 298.3651 -183301.8734 -149046.7984 299.8620 -26.0485 8.0536 559464.9749 7.2848 7.2155 PRESSURE: 3396200 -144.32 -12.2312 -49.5158 -12.2317 136.934 78.8225 -49.5163 78.8221 -235.422 GPRESSURE: 3396200 -115.157 -0.765499 -50.5834 24.9423 208.452 81.7801 -52.2339 37.9395 -243.872 PRESSAVG: 3396200 -33.5698 -36.4057 54.3231 -36.4058 87.9936 0.370464 54.323 0.370449 11.254 GPRESSAVG: 3396200 -33.5163 -34.4427 53.5661 -35.3938 87.1057 1.13638 53.312 1.26284 12.1895 TIMING: 3396200 CPU: 9843.44, 0.00287875/step Wall: 9843.44, 0.00287875/step, 1.28248 hours remaining, 210.265625 MB of memory in use. ENERGY: 3396200 736.6763 2082.8589 1929.0782 112.7400 -206244.3974 17898.3094 0.0000 0.0000 34126.3454 -149358.3892 298.0339 -183484.7346 -149265.1173 298.7126 -80.9358 -50.1923 559634.8546 21.8926 21.9263 LDB: ============= START OF LOAD BALANCING ============== 9846.83 LDB: ============== END OF LOAD BALANCING =============== 9846.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9846.83 LDB: ============= START OF LOAD BALANCING ============== 9847.12 LDB: Largest compute 4772 load 0.026045 is 22.1% of average load 0.118014 LDB: Average compute 0.001714 is 1.5% of average load 0.118014 LDB: TIME 9847.12 LOAD: AVG 0.118014 MAX 0.179129 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.402 MB LDB: TIME 9847.12 LOAD: AVG 0.118014 MAX 0.179129 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.605 MB LDB: TIME 9847.12 LOAD: AVG 0.118014 MAX 0.179129 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.605 MB LDB: ============== END OF LOAD BALANCING =============== 9847.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9847.13 PRESSURE: 3396400 -116.365 -69.4796 64.867 -69.4798 -24.6989 -48.1977 64.8672 -48.1991 62.2413 GPRESSURE: 3396400 -57.3811 -74.1682 63.2317 -64.7656 7.89046 28.7709 149.334 -55.6811 79.1648 PRESSAVG: 3396400 -46.2466 -11.1593 21.8495 -11.1593 41.3823 26.9755 21.8495 26.9755 -23.0735 GPRESSAVG: 3396400 -44.7968 -11.9623 21.3551 -10.0344 41.1658 28.3914 23.7204 25.641 -24.2223 TIMING: 3396400 CPU: 9844.03, 0.0029514/step Wall: 9844.03, 0.0029514/step, 1.31468 hours remaining, 210.406250 MB of memory in use. ENERGY: 3396400 745.8881 2026.1954 1951.6169 115.1421 -206286.4325 18027.6649 0.0000 0.0000 34072.4965 -149347.4286 297.5636 -183419.9250 -149243.5644 298.6734 -26.2744 9.8914 557783.6731 -9.3126 -9.2844 PRESSURE: 3396600 69.35 -19.887 14.4129 -19.887 137.248 32.9921 14.4132 32.9926 168.734 GPRESSURE: 3396600 16.1224 20.2679 68.1791 -6.61955 236.683 52.3589 -32.349 -36.6302 225.378 PRESSAVG: 3396600 -18.5612 21.1271 3.95711 21.1269 52.5754 -21.6271 3.95701 -21.6273 34.0565 GPRESSAVG: 3396600 -18.9468 22.1785 4.19265 20.2757 52.6006 -21.7344 3.54358 -21.7733 34.3539 TIMING: 3396600 CPU: 9844.61, 0.00289418/step Wall: 9844.61, 0.00289417/step, 1.28903 hours remaining, 210.406250 MB of memory in use. ENERGY: 3396600 703.7819 2118.3314 1945.9743 97.2542 -206409.5093 17953.7941 0.0000 0.0000 34354.2191 -149236.1543 300.0239 -183590.3733 -149139.9062 298.9637 125.1109 159.3944 558321.4295 22.6902 22.6693 PRESSURE: 3396800 -46.6322 25.2798 -12.5728 25.2791 -107.011 180.947 -12.5736 180.948 -81.3169 GPRESSURE: 3396800 -19.1286 23.2102 -23.3003 61.0268 -94.4343 136.779 -51.733 121.458 -21.7247 PRESSAVG: 3396800 -12.0041 25.4133 21.6569 25.4133 17.1757 -67.2077 21.6568 -67.2077 -19.7256 GPRESSAVG: 3396800 -13.3858 24.5736 22.8882 26.6007 17.6805 -68.8801 19.4172 -66.1078 -19.1841 TIMING: 3396800 CPU: 9845.19, 0.00289539/step Wall: 9845.19, 0.00289539/step, 1.28942 hours remaining, 210.406250 MB of memory in use. ENERGY: 3396800 746.8134 2114.3798 1975.2409 103.0770 -205839.3636 17740.5935 0.0000 0.0000 34104.5469 -149054.7122 297.8435 -183159.2591 -148957.8454 299.0292 -78.3201 -45.0959 559979.8493 -4.8513 -4.9631 PRESSURE: 3397000 127.419 -122.945 -91.8327 -122.946 299.885 -210.08 -91.8333 -210.082 -113.583 GPRESSURE: 3397000 173.557 -142.792 -39.0207 -123.347 326.437 -130.477 -45.1397 -269.04 -102.474 PRESSAVG: 3397000 -54.07 -32.9812 -0.519271 -32.9812 35.5619 32.2893 -0.519253 32.2894 10.9963 GPRESSAVG: 3397000 -52.0285 -31.8443 -1.86171 -33.9725 35.2205 33.4914 0.70218 31.0607 9.32448 TIMING: 3397000 CPU: 9845.77, 0.00288528/step Wall: 9845.77, 0.00288528/step, 1.28475 hours remaining, 210.406250 MB of memory in use. ENERGY: 3397000 727.4251 2110.0406 1954.2834 111.5517 -206392.1841 18039.5645 0.0000 0.0000 34492.6096 -148956.7092 301.2325 -183449.3188 -148864.1620 299.3020 104.5735 132.5067 558853.3551 -2.5039 -2.4945 PRESSURE: 3397200 -440.395 9.15432 27.7516 9.15449 -341.649 72.6506 27.7508 72.6504 -113.946 GPRESSURE: 3397200 -430.306 44.7548 72.626 -11.2651 -249.208 122.417 8.70505 54.1994 -112.901 PRESSAVG: 3397200 -27.5656 -19.3301 62.7288 -19.3301 -8.67389 4.12077 62.7287 4.12088 5.66196 GPRESSAVG: 3397200 -27.9195 -18.5936 63.1732 -19.1413 -7.50893 4.47814 65.2721 7.17251 5.24999 TIMING: 3397200 CPU: 9846.35, 0.00289659/step Wall: 9846.35, 0.00289659/step, 1.28962 hours remaining, 210.406250 MB of memory in use. ENERGY: 3397200 736.7431 2024.4916 1949.3989 111.7426 -205742.5798 17449.2399 0.0000 0.0000 34371.8410 -149099.1226 300.1778 -183470.9637 -148996.9992 299.9869 -298.6636 -264.1383 559250.9070 -10.1925 -10.0595 PRESSURE: 3397400 -399.641 97.7319 -107.074 97.7335 -373.604 -48.7125 -107.075 -48.7125 32.9453 GPRESSURE: 3397400 -388.64 139.376 -62.309 37.6949 -328.647 -94.4527 -133.441 12.3996 67.3169 PRESSAVG: 3397400 -23.21 34.0359 19.7992 34.0359 -49.9289 -0.443299 19.7992 -0.443274 51.1963 GPRESSAVG: 3397400 -23.0114 33.3954 19.4155 35.3296 -50.9802 -1.18877 16.5015 -3.86915 51.6901 TIMING: 3397400 CPU: 9846.93, 0.00290273/step Wall: 9846.93, 0.00290273/step, 1.2922 hours remaining, 210.406250 MB of memory in use. ENERGY: 3397400 711.4412 2056.5534 1954.9161 116.3452 -205975.4379 17470.3535 0.0000 0.0000 34666.4565 -148999.3719 302.7508 -183665.8284 -148901.9117 299.7390 -246.7666 -216.6566 559307.0421 -7.3142 -7.4338 PRESSURE: 3397600 75.1223 -167.955 141.332 -167.956 391.601 -9.2292 141.332 -9.23138 32.0413 GPRESSURE: 3397600 102.377 -175.137 186.286 -166.313 430.676 -73.4613 152.129 34.0628 60.6319 PRESSAVG: 3397600 -50.7887 -29.1188 10.2019 -29.1188 44.845 25.3691 10.2019 25.3692 -25.7328 GPRESSAVG: 3397600 -51.7524 -28.7024 11.6245 -29.282 45.0994 25.9558 10.8181 25.1112 -25.2774 TIMING: 3397600 CPU: 9847.51, 0.00290186/step Wall: 9847.51, 0.00290186/step, 1.29165 hours remaining, 210.406250 MB of memory in use. ENERGY: 3397600 713.6699 2078.0636 1952.4609 121.4714 -206243.1313 18127.5189 0.0000 0.0000 34388.2825 -148861.6642 300.3214 -183249.9467 -148766.1116 300.6608 166.2547 197.8948 559519.0167 -10.5588 -10.6435 PRESSURE: 3397800 90.9838 117.804 22.7072 117.805 38.6183 -62.7263 22.7073 -62.7262 16.7628 GPRESSURE: 3397800 149.666 -33.5316 40.6179 231.754 81.881 -178.108 66.4831 77.1664 15.7924 PRESSAVG: 3397800 10.2864 6.258 35.6383 6.25807 75.3212 -30.9774 35.6383 -30.9774 -33.6606 GPRESSAVG: 3397800 11.4615 6.7192 33.4639 4.57198 74.1366 -32.8402 37.3442 -29.4279 -33.2811 TIMING: 3397800 CPU: 9848.09, 0.00290239/step Wall: 9848.09, 0.00290239/step, 1.29173 hours remaining, 210.406250 MB of memory in use. ENERGY: 3397800 731.2905 2087.9579 1974.9695 99.8660 -206022.5705 17915.7306 0.0000 0.0000 34340.0249 -148872.7311 299.9000 -183212.7560 -148773.3466 300.3068 48.7883 82.4466 558253.9018 17.3157 17.4390 PRESSURE: 3398000 61.5922 -82.7886 -62.6317 -82.7891 -460.472 15.0718 -62.6301 15.0736 -131.056 GPRESSURE: 3398000 91.1336 -177.66 -76.2006 -67.4792 -423.802 -22.5946 -17.4284 39.5019 -93.0882 PRESSAVG: 3398000 -2.41518 2.56029 27.6195 2.56037 -5.90256 -59.0962 27.6195 -59.0961 12.8028 GPRESSAVG: 3398000 -1.45329 3.01522 27.2924 1.99037 -6.04723 -58.0188 27.7701 -59.8025 12.0271 TIMING: 3398000 CPU: 9848.66, 0.00287611/step Wall: 9848.66, 0.00287611/step, 1.27987 hours remaining, 210.406250 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: 3398000 754.8213 2064.9350 1948.0958 121.2939 -205772.9054 17657.6799 0.0000 0.0000 34479.4816 -148746.5978 301.1179 -183226.0794 -148643.3605 300.5834 -176.6455 -141.9188 559278.8526 1.4950 1.5089 PRESSURE: 3398200 -42.7223 -117.938 34.3537 -117.938 -41.6129 106.571 34.3535 106.571 -20.8505 GPRESSURE: 3398200 -38.7146 -134.556 1.81681 -102.646 7.32035 46.0958 -16.3128 158.009 20.5641 PRESSAVG: 3398200 3.30016 -54.5623 45.661 -54.5622 -45.5572 0.997869 45.661 0.997772 95.6684 GPRESSAVG: 3398200 2.3645 -55.954 45.9737 -52.4815 -45.5581 0.163184 44.9282 0.0760174 96.6099 TIMING: 3398200 CPU: 9849.24, 0.00286782/step Wall: 9849.24, 0.00286782/step, 1.27602 hours remaining, 210.406250 MB of memory in use. ENERGY: 3398200 753.3416 2067.2831 1960.9448 111.9630 -205982.4214 17703.2765 0.0000 0.0000 34556.9613 -148828.6510 301.7945 -183385.6123 -148726.9647 300.5506 -35.0619 -3.6101 556575.3940 17.8038 17.8054 PRESSURE: 3398400 -153.288 39.3677 -182.766 39.3664 -83.9045 126.011 -182.765 126.011 -199.114 GPRESSURE: 3398400 -167.895 46.3633 -207.393 54.2399 -43.7872 115.959 -142.316 88.273 -128.547 PRESSAVG: 3398400 0.696098 -29.7574 16.9895 -29.7574 -44.727 -41.1088 16.9895 -41.1087 -0.840244 GPRESSAVG: 3398400 1.71797 -27.75 19.0043 -30.0059 -46.253 -41.7214 17.0315 -38.956 -0.0972943 TIMING: 3398400 CPU: 9849.81, 0.00286611/step Wall: 9849.81, 0.00286611/step, 1.2751 hours remaining, 210.406250 MB of memory in use. ENERGY: 3398400 733.9411 2097.1448 1952.0386 115.6893 -205609.3948 17452.5548 0.0000 0.0000 34386.8576 -148871.1686 300.3090 -183258.0262 -148767.4427 300.0308 -145.4354 -113.4096 558352.3884 -14.9570 -14.8774 PRESSURE: 3398600 -230.391 -136.069 2.77379 -136.07 -175.856 -123.051 2.77368 -123.051 132.044 GPRESSURE: 3398600 -167.856 -123.152 1.84827 -123.79 -121.611 -139.991 32.5279 -44.3269 109.686 PRESSAVG: 3398600 -8.78895 2.20973 -2.09372 2.20962 19.7173 -17.576 -2.09373 -17.5761 -22.2872 GPRESSAVG: 3398600 -9.24369 0.235113 -3.64373 3.05714 22.3977 -17.3699 -0.201958 -17.4897 -23.9311 TIMING: 3398600 CPU: 9850.39, 0.00288645/step Wall: 9850.39, 0.00288645/step, 1.28399 hours remaining, 210.406250 MB of memory in use. ENERGY: 3398600 752.3872 2133.7143 1946.1512 109.7939 -205531.8936 17521.8252 0.0000 0.0000 34256.1418 -148811.8798 299.1674 -183068.0216 -148710.3514 300.3457 -91.4010 -59.9271 558131.7449 -3.7863 -3.5924 PRESSURE: 3398800 -83.8369 -190.036 125.164 -190.037 2.82229 16.5087 125.162 16.5076 165.115 GPRESSURE: 3398800 -56.7942 -172.413 87.1715 -202.275 27.3073 -0.032611 126.028 -11.0063 217.796 PRESSAVG: 3398800 -55.6616 -54.4589 25.8787 -54.4588 19.8499 -11.9876 25.8788 -11.9878 17.5103 GPRESSAVG: 3398800 -56.0459 -52.275 26.9157 -55.4629 19.5199 -8.37895 24.2805 -14.9216 18.7836 TIMING: 3398800 CPU: 9850.97, 0.00290255/step Wall: 9850.97, 0.00290255/step, 1.29099 hours remaining, 210.406250 MB of memory in use. ENERGY: 3398800 757.8046 2059.9931 1960.0949 112.5688 -205876.4253 17866.1139 0.0000 0.0000 34139.6854 -148980.1645 298.1504 -183119.8499 -148884.3038 299.8675 28.0336 62.7697 557643.0863 -6.1004 -5.9141 PRESSURE: 3399000 320.899 -36.4562 86.8079 -36.4584 -177.815 231.553 86.8083 231.553 145.084 GPRESSURE: 3399000 374.56 -90.0575 24.0965 -63.1255 -182.766 181.443 202.17 232.115 181.79 PRESSAVG: 3399000 -4.87854 -73.4332 -28.7436 -73.4333 41.2754 48.1832 -28.7435 48.1833 -34.4532 GPRESSAVG: 3399000 -3.86623 -75.6208 -29.7878 -71.9011 40.6231 44.7606 -29.7339 48.5623 -34.4694 TIMING: 3399000 CPU: 9851.54, 0.00288842/step Wall: 9851.54, 0.00288842/step, 1.28454 hours remaining, 210.406250 MB of memory in use. ENERGY: 3399000 719.1540 2053.4612 1934.2045 116.9806 -206347.1578 18020.6847 0.0000 0.0000 34420.1176 -149082.5552 300.5994 -183502.6728 -148989.1091 299.4535 96.0560 124.5281 556792.2914 0.6479 0.7625 PRESSURE: 3399200 97.3815 -22.9284 -26.5711 -22.9286 96.3021 -89.2205 -26.5702 -89.2199 31.6052 GPRESSURE: 3399200 124.801 -136.257 12.9574 -44.4591 149.481 -162.778 -91.0211 -32.6064 46.8198 PRESSAVG: 3399200 54.1979 -18.4071 18.6076 -18.4072 -1.66909 26.1288 18.6076 26.1287 -58.1196 GPRESSAVG: 3399200 53.8336 -16.2352 19.4943 -21.882 -1.08738 27.0266 19.1067 27.2241 -58.2227 TIMING: 3399200 CPU: 9852.13, 0.00290356/step Wall: 9852.13, 0.00290356/step, 1.29111 hours remaining, 210.406250 MB of memory in use. ENERGY: 3399200 755.0610 2120.0543 1945.7567 114.0606 -206093.1278 17843.3095 0.0000 0.0000 34320.9265 -148993.9592 299.7332 -183314.8857 -148898.4380 299.8087 75.0963 107.0337 556065.7972 -1.8636 -1.8255 PRESSURE: 3399400 398.386 4.91012 -47.9285 4.91151 70.7467 52.2802 -47.9283 52.2809 -147.664 GPRESSURE: 3399400 456.694 -145.939 -70.6733 50.8959 122.731 57.3954 -91.617 61.5499 -162.803 PRESSAVG: 3399400 48.4157 -47.5139 -23.6777 -47.514 -14.8403 -18.1486 -23.6776 -18.1486 -47.4078 GPRESSAVG: 3399400 48.7148 -47.6036 -23.701 -45.504 -15.7639 -18.52 -23.6089 -17.9332 -46.9851 TIMING: 3399400 CPU: 9852.7, 0.00286945/step Wall: 9852.7, 0.00286945/step, 1.27579 hours remaining, 210.406250 MB of memory in use. ENERGY: 3399400 711.8488 2123.8251 1938.9698 119.7816 -205982.0952 17899.8932 0.0000 0.0000 34163.2193 -149024.5573 298.3559 -183187.7766 -148937.4386 299.5809 107.1564 138.8741 557245.5676 -4.6108 -4.6781 PRESSURE: 3399600 190.314 -14.6618 -42.1282 -14.6623 281.32 37.9486 -42.1276 37.9492 -36.8332 GPRESSURE: 3399600 207.821 71.8603 -25.8807 -66.5793 334.652 45.7817 -25.88 110.852 1.7289 PRESSAVG: 3399600 83.8564 -28.781 15.1276 -28.781 1.749 60.2497 15.1277 60.2499 -44.9289 GPRESSAVG: 3399600 83.3191 -29.7154 15.7559 -28.376 1.92918 60.7131 14.2103 60.0424 -44.6943 TIMING: 3399600 CPU: 9853.28, 0.00287997/step Wall: 9853.28, 0.00287997/step, 1.2803 hours remaining, 210.406250 MB of memory in use. ENERGY: 3399600 713.7563 2105.4715 1947.0851 116.8623 -206205.6979 17956.3101 0.0000 0.0000 34290.5580 -149075.6548 299.4680 -183366.2128 -148978.4895 299.3005 144.9337 181.4006 558923.3981 13.5588 13.5180 PRESSURE: 3399800 -239.889 88.9377 207.539 88.9375 -48.0633 -71.1108 207.538 -71.1105 -279.688 GPRESSURE: 3399800 -141.224 137.766 99.9514 112.942 -71.2746 -79.6087 171.631 -77.4379 -259.506 PRESSAVG: 3399800 55.9258 -6.105 -16.3504 -6.10504 -103.579 55.1758 -16.3503 55.1758 23.4233 GPRESSAVG: 3399800 56.4093 -5.95496 -15.7412 -7.33173 -104.108 57.0836 -17.7352 51.624 23.8701 TIMING: 3399800 CPU: 9853.86, 0.00290631/step Wall: 9853.86, 0.00290631/step, 1.29185 hours remaining, 210.406250 MB of memory in use. ENERGY: 3399800 799.8729 2083.1649 1968.8448 101.2022 -205876.1162 17553.4323 0.0000 0.0000 34405.0648 -148964.5343 300.4680 -183369.5991 -148866.7535 299.7352 -189.2135 -157.3348 559132.4549 -8.0765 -7.9428 PRESSURE: 3400000 -96.6864 60.6382 -171.865 60.6395 126.666 -3.78903 -171.865 -3.7874 116.796 GPRESSURE: 3400000 -44.0008 100.472 -177.119 94.8263 124.072 -94.037 -180.661 -51.7971 163.669 PRESSAVG: 3400000 15.9878 10.5269 -33.3734 10.527 -6.4462 68.5571 -33.3734 68.5571 33.4389 GPRESSAVG: 3400000 16.5543 11.6004 -35.5322 10.6759 -4.96423 66.3828 -31.3262 71.436 30.9877 TIMING: 3400000 CPU: 9854.44, 0.00292017/step Wall: 9854.44, 0.00292017/step, 1.29785 hours remaining, 210.406250 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: 3400000 755.0913 2123.6235 1984.5913 111.4615 -206640.1055 18224.8663 0.0000 0.0000 34498.7975 -148941.6741 301.2866 -183440.4716 -148844.7772 300.5672 48.9252 81.2468 557447.6373 14.3268 14.1926 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3400200 -172.761 -105.06 18.5856 -105.059 -157.09 84.956 18.5861 84.9553 -427.858 GPRESSURE: 3400200 -95.7612 -176.073 4.67432 -99.0226 -117.754 157.641 30.2749 139.035 -448.687 PRESSAVG: 3400200 22.9338 -27.3851 15.5174 -27.3851 27.7337 31.5744 15.5174 31.5743 -54.0731 GPRESSAVG: 3400200 22.9084 -27.1474 15.1492 -27.1002 25.7785 34.1956 15.9752 31.1883 -51.7986 TIMING: 3400200 CPU: 9855.04, 0.00297266/step Wall: 9855.04, 0.00297266/step, 1.32102 hours remaining, 210.531250 MB of memory in use. ENERGY: 3400200 800.6724 2121.9607 1972.4630 112.9874 -205793.7116 17719.1225 0.0000 0.0000 34349.8120 -148716.6937 299.9855 -183066.5057 -148621.7086 300.5289 -252.5697 -220.7339 559182.1704 -1.1352 -1.0372 LDB: ============= START OF LOAD BALANCING ============== 9858.42 LDB: ============== END OF LOAD BALANCING =============== 9858.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9858.42 LDB: ============= START OF LOAD BALANCING ============== 9858.71 LDB: Largest compute 4772 load 0.025467 is 21.6% of average load 0.118032 LDB: Average compute 0.001723 is 1.5% of average load 0.118032 LDB: TIME 9858.71 LOAD: AVG 0.118032 MAX 0.17776 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.281 MB LDB: TIME 9858.71 LOAD: AVG 0.118032 MAX 0.17776 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.281 MB LDB: TIME 9858.71 LOAD: AVG 0.118032 MAX 0.17776 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9858.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9858.72 PRESSURE: 3400400 -134.631 -139.306 46.6242 -139.305 -42.9647 -63.1352 46.6249 -63.1344 -213.201 GPRESSURE: 3400400 -101.042 -128.407 7.09274 -111.217 23.5401 -51.274 67.3293 -122.853 -210.178 PRESSAVG: 3400400 25.9493 19.3 -39.5793 19.3001 28.3943 -56.1317 -39.5793 -56.1317 -29.8144 GPRESSAVG: 3400400 25.8257 17.7769 -38.2177 21.0248 30.8468 -58.5527 -39.9096 -56.3667 -32.1519 TIMING: 3400400 CPU: 9855.62, 0.0029285/step Wall: 9855.62, 0.0029285/step, 1.30123 hours remaining, 211.050781 MB of memory in use. ENERGY: 3400400 742.4248 2054.4454 1953.4797 111.4703 -205863.5184 17654.2136 0.0000 0.0000 34398.1977 -148949.2870 300.4080 -183347.4847 -148859.4220 300.4780 -130.2653 -95.8933 559030.1188 8.1764 8.1735 PRESSURE: 3400600 55.4737 67.1823 228.57 67.1824 133.815 -5.97291 228.571 -5.97262 -85.1058 GPRESSURE: 3400600 31.5847 -7.73047 98.0141 10.7605 161.177 -58.7274 253.016 6.91935 12.8964 PRESSAVG: 3400600 -16.2588 -35.0014 -36.8355 -35.0013 29.9945 34.9132 -36.8354 34.9132 -43.926 GPRESSAVG: 3400600 -15.4908 -33.7408 -38.2503 -36.3954 29.0983 34.5686 -37.5148 35.5975 -43.9165 TIMING: 3400600 CPU: 9856.19, 0.00286489/step Wall: 9856.19, 0.00286489/step, 1.27281 hours remaining, 211.250000 MB of memory in use. ENERGY: 3400600 752.2098 2070.6523 1953.1805 114.4921 -206004.6247 17870.8068 0.0000 0.0000 34363.9903 -148879.2929 300.1093 -183243.2832 -148781.0919 300.8989 34.7275 68.5528 557724.5438 -10.0635 -10.1030 PRESSURE: 3400800 192.578 -12.6681 28.2622 -12.6677 102.716 -26.3897 28.2628 -26.3883 96.4706 GPRESSURE: 3400800 198.752 -32.5945 2.18143 -58.7087 115.186 23.5946 56.2278 -88.4009 168.882 PRESSAVG: 3400800 -38.5703 -20.1433 19.5556 -20.1433 24.0299 69.6737 19.5556 69.6737 -2.78736 GPRESSAVG: 3400800 -39.1135 -22.6631 21.1582 -20.3778 23.4828 73.7068 20.9701 67.4535 -2.0523 TIMING: 3400800 CPU: 9856.77, 0.00288063/step Wall: 9856.77, 0.00288063/step, 1.27964 hours remaining, 211.250000 MB of memory in use. ENERGY: 3400800 764.7925 2117.6120 1988.7068 117.8597 -206181.6996 17891.8754 0.0000 0.0000 34501.1799 -148799.6732 301.3074 -183300.8531 -148698.2576 299.9633 130.5883 160.9400 556176.3936 -5.7759 -5.8943 PRESSURE: 3401000 -87.3639 -143.751 7.06322 -143.754 84.0166 -257.502 7.06336 -257.501 -50.2389 GPRESSURE: 3401000 21.3278 -180.785 5.51262 -218.202 83.3133 -265.307 84.1495 -233.641 -53.5277 PRESSAVG: 3401000 6.02459 -62.4396 2.61606 -62.4396 15.5538 -36.3097 2.61599 -36.3099 -18.5144 GPRESSAVG: 3401000 6.03856 -59.3463 0.831444 -63.8933 16.9954 -39.4329 2.84717 -33.18 -19.9933 TIMING: 3401000 CPU: 9857.34, 0.00286981/step Wall: 9857.34, 0.00286981/step, 1.27467 hours remaining, 211.250000 MB of memory in use. ENERGY: 3401000 770.3083 2166.3993 1928.5962 119.9667 -205594.7743 17495.2997 0.0000 0.0000 34356.4712 -148757.7328 300.0436 -183114.2040 -148661.3975 300.2530 -17.8620 17.0378 558013.1964 1.0213 1.0135 PRESSURE: 3401200 75.8499 140.143 107.483 140.142 -147.867 4.11914 107.482 4.118 -129.054 GPRESSURE: 3401200 55.7072 128.957 92.4882 170.771 -55.048 40.3676 103.998 28.0421 -92.6224 PRESSAVG: 3401200 -19.5042 -5.5122 4.54489 -5.51225 -24.3845 -15.0583 4.54491 -15.0584 25.3351 GPRESSAVG: 3401200 -20.1822 -6.64712 5.02072 -3.23904 -24.5823 -13.3853 5.31671 -16.9556 26.5424 TIMING: 3401200 CPU: 9857.92, 0.00287267/step Wall: 9857.92, 0.00287267/step, 1.27579 hours remaining, 211.250000 MB of memory in use. ENERGY: 3401200 777.2183 2075.6055 1975.1647 108.2758 -205783.7133 17607.2058 0.0000 0.0000 34591.4528 -148648.7904 302.0958 -183240.2432 -148538.4720 300.2891 -67.0238 -30.6544 558390.4280 -6.1845 -6.0740 PRESSURE: 3401400 -33.8757 58.6083 -38.7107 58.6089 -7.598 60.9993 -38.7107 60.9994 -218.701 GPRESSURE: 3401400 -32.1019 79.923 3.94279 9.08922 38.6433 70.7615 24.7806 47.1251 -162.322 PRESSAVG: 3401400 -21.1028 37.8074 14.2839 37.8074 49.8971 43.7161 14.284 43.716 -33.8136 GPRESSAVG: 3401400 -20.8105 37.958 13.9671 36.7335 50.2512 42.1191 13.868 44.9105 -34.5137 TIMING: 3401400 CPU: 9858.49, 0.00286973/step Wall: 9858.49, 0.00286973/step, 1.27432 hours remaining, 211.250000 MB of memory in use. ENERGY: 3401400 766.0407 2086.6600 1937.8234 117.3143 -205770.7445 17783.9863 0.0000 0.0000 34402.0236 -148676.8962 300.4414 -183078.9198 -148574.5163 300.2641 -86.7250 -51.9268 559119.3673 -1.6731 -1.6910 PRESSURE: 3401600 -10.7218 -109.48 84.2739 -109.48 -194.688 -9.74016 84.2743 -9.73998 -276.874 GPRESSURE: 3401600 -5.06236 -150.192 4.68702 -46.0269 -144.47 -87.595 4.86796 -89.9978 -248.806 PRESSAVG: 3401600 -8.94958 19.0483 39.0046 19.0483 34.0761 -11.2508 39.0046 -11.2507 -9.90643 GPRESSAVG: 3401600 -7.24659 18.5273 39.7757 20.9731 32.9482 -13.6695 37.9565 -11.5656 -10.5128 TIMING: 3401600 CPU: 9859.07, 0.00287924/step Wall: 9859.07, 0.00287924/step, 1.27838 hours remaining, 211.250000 MB of memory in use. ENERGY: 3401600 773.1003 2087.8116 1963.6864 114.7589 -205392.0960 17411.8943 0.0000 0.0000 34278.4763 -148762.3683 299.3625 -183040.8446 -148658.2514 301.2527 -160.7614 -132.7794 559058.9318 5.0734 5.0629 PRESSURE: 3401800 -68.6301 165.583 -77.0768 165.584 -121.094 100.728 -77.0777 100.727 -40.9031 GPRESSURE: 3401800 -58.9872 147.797 -75.6582 133.193 -40.4046 147.354 -206.981 157.613 -29.8459 PRESSAVG: 3401800 36.8821 38.8447 -17.2528 38.8447 -8.97303 -35.1988 -17.2528 -35.1989 -42.431 GPRESSAVG: 3401800 35.0006 40.3087 -18.9844 36.7005 -6.96547 -32.3021 -16.8411 -35.5722 -42.092 TIMING: 3401800 CPU: 9859.65, 0.00289176/step Wall: 9859.65, 0.00289176/step, 1.28378 hours remaining, 211.250000 MB of memory in use. ENERGY: 3401800 729.8053 2105.7279 1949.9434 105.9990 -205574.6622 17508.3315 0.0000 0.0000 34317.0636 -148857.7916 299.6995 -183174.8551 -148763.0556 300.4339 -76.8759 -43.0792 558436.6044 -4.8406 -4.6856 PRESSURE: 3402000 182.655 57.9356 91.7691 57.9339 265.799 111.524 91.7683 111.525 298.353 GPRESSURE: 3402000 224.922 71.0365 118.8 66.4864 301.434 102.765 91.3286 170.737 333.253 PRESSAVG: 3402000 -7.25103 25.4857 -7.97072 25.4857 -58.5463 78.8888 -7.97071 78.8889 31.1303 GPRESSAVG: 3402000 -7.54669 22.7333 -6.70759 28.3225 -59.0582 80.5749 -8.74684 80.0182 31.8086 TIMING: 3402000 CPU: 9860.22, 0.00287157/step Wall: 9860.22, 0.00287157/step, 1.27466 hours remaining, 211.250000 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: 3402000 756.6930 2114.6366 1952.0296 113.9552 -206423.8247 18198.2591 0.0000 0.0000 34574.8506 -148713.4007 301.9508 -183288.2512 -148614.8758 300.4674 248.9361 286.5362 557294.0658 -11.5557 -11.5988 PRESSURE: 3402200 -31.7032 -75.744 -20.3898 -75.7445 -179.522 -15.8243 -20.39 -15.8232 -224.653 GPRESSURE: 3402200 -11.2519 -9.21061 5.97747 -71.7941 -84.859 13.8629 -98.0925 -19.2288 -233.847 PRESSAVG: 3402200 12.904 -6.00512 -18.9663 -6.00516 15.0617 8.08927 -18.9664 8.08932 -16.8961 GPRESSAVG: 3402200 12.7472 -3.42712 -16.7534 -8.17526 14.5494 6.83946 -19.4594 6.90174 -16.5403 TIMING: 3402200 CPU: 9860.79, 0.00286644/step Wall: 9860.79, 0.00286644/step, 1.27222 hours remaining, 211.250000 MB of memory in use. ENERGY: 3402200 717.8964 2051.2508 1957.6675 105.4698 -205787.1809 17618.8064 0.0000 0.0000 34387.1912 -148948.8988 300.3119 -183336.0900 -148852.6719 299.8443 -145.2927 -109.9859 559989.1472 3.6899 3.5854 PRESSURE: 3402400 202.122 10.0742 -264.772 10.0732 -27.0021 -90.0075 -264.774 -90.0059 264.477 GPRESSURE: 3402400 281.538 -13.614 -231.659 -36.5709 -33.5902 -116.02 -230.822 0.556301 284.323 PRESSAVG: 3402400 -15.1419 -27.3569 -48.6519 -27.3569 -13.0624 -23.5688 -48.6519 -23.5688 -31.696 GPRESSAVG: 3402400 -13.8506 -26.7136 -49.2983 -28.2385 -14.4864 -24.2961 -47.2742 -22.371 -31.9794 TIMING: 3402400 CPU: 9861.37, 0.00286329/step Wall: 9861.37, 0.00286329/step, 1.27066 hours remaining, 211.250000 MB of memory in use. ENERGY: 3402400 724.6559 2064.0617 1950.5619 138.3800 -206262.5764 18008.1474 0.0000 0.0000 34386.4187 -148990.3508 300.3051 -183376.7695 -148889.8344 299.6094 146.5322 177.4234 558773.0944 -19.9668 -20.1055 PRESSURE: 3402600 -269.331 -109.208 -56.7244 -109.208 74.2613 37.3271 -56.7245 37.3263 -146.257 GPRESSURE: 3402600 -217.442 -185.196 36.5678 -17.8011 128.419 116.634 -66.9148 7.51143 -149.579 PRESSAVG: 3402600 53.3662 -3.42976 -33.3217 -3.42989 -8.64644 5.91989 -33.3216 5.91982 -16.6048 GPRESSAVG: 3402600 52.7505 -4.83981 -34.69 -2.2367 -8.48786 6.92269 -32.5329 6.08394 -16.3238 TIMING: 3402600 CPU: 9861.95, 0.00291306/step Wall: 9861.95, 0.00291306/step, 1.29259 hours remaining, 211.250000 MB of memory in use. ENERGY: 3402600 776.6693 2052.6732 1956.0734 109.1389 -206047.0987 17670.8999 0.0000 0.0000 34380.2005 -149101.4436 300.2508 -183481.6441 -149003.6421 299.7849 -113.7757 -79.5342 557654.2556 9.3717 9.3129 PRESSURE: 3402800 -24.75 -146.865 -147.854 -146.865 182.858 -35.8127 -147.855 -35.8124 -40.146 GPRESSURE: 3402800 60.4526 -115.124 -224.457 -211.428 216.487 29.239 -133.545 -101.209 -49.4866 PRESSAVG: 3402800 12.9392 -5.73575 -32.3802 -5.73575 -17.1447 -41.9765 -32.3803 -41.9765 2.10062 GPRESSAVG: 3402800 12.2757 -5.98021 -32.1735 -4.30212 -15.9953 -42.3555 -33.7642 -42.4889 1.66765 TIMING: 3402800 CPU: 9862.53, 0.00290687/step Wall: 9862.53, 0.00290687/step, 1.28968 hours remaining, 211.250000 MB of memory in use. ENERGY: 3402800 720.3920 2062.3651 1970.7896 112.4101 -206196.2233 17899.6534 0.0000 0.0000 34333.7603 -149096.8528 299.8453 -183430.6130 -149001.3358 299.7502 39.3208 75.8177 557861.3594 -0.7016 -0.6840 PRESSURE: 3403000 -79.2448 -44.2749 -125.502 -44.2747 -165.827 119.681 -125.503 119.682 19.3307 GPRESSURE: 3403000 16.9277 -2.00095 -206.505 -52.2681 -116.09 121.721 -89.3882 121.757 -30.1422 PRESSAVG: 3403000 39.3536 -31.2692 29.8875 -31.2692 35.5909 56.3263 29.8874 56.3263 -57.9932 GPRESSAVG: 3403000 40.084 -30.7675 29.989 -30.956 35.4681 55.422 30.2941 57.5831 -58.586 TIMING: 3403000 CPU: 9863.1, 0.00286475/step Wall: 9863.1, 0.00286475/step, 1.27083 hours remaining, 211.250000 MB of memory in use. ENERGY: 3403000 750.6867 2078.6995 1954.4946 101.7416 -206015.2648 17801.2481 0.0000 0.0000 34087.6541 -149240.7402 297.6960 -183328.3943 -149152.4548 298.9418 -75.2472 -43.1014 557353.1798 5.6504 5.6554 PRESSURE: 3403200 141.785 -98.5366 142.266 -98.5367 -271.426 41.3821 142.266 41.3828 212.832 GPRESSURE: 3403200 142.39 -145.537 133.102 -16.0181 -208.503 -15.9898 183.06 110.045 246.278 PRESSAVG: 3403200 36.2261 -32.0256 61.5547 -32.0257 -27.7907 47.0668 61.5548 47.0667 9.96478 GPRESSAVG: 3403200 36.9852 -30.4204 60.8164 -34.052 -28.8866 47.2089 63.1381 46.6557 10.5799 TIMING: 3403200 CPU: 9863.68, 0.00287257/step Wall: 9863.68, 0.00287257/step, 1.27414 hours remaining, 211.250000 MB of memory in use. ENERGY: 3403200 744.4244 2058.4895 1965.7693 115.3325 -206446.5953 17885.7472 0.0000 0.0000 34341.8507 -149334.9815 299.9159 -183676.8323 -149235.4867 298.6931 27.7302 60.0552 557520.8986 6.1334 6.2262 PRESSURE: 3403400 64.6105 114.87 110.66 114.87 62.7647 69.7919 110.659 69.791 34.3584 GPRESSURE: 3403400 83.115 -8.87118 98.8161 135.781 83.6518 55.1357 140.858 70.5194 107.03 PRESSAVG: 3403400 -10.5426 -67.7375 46.9667 -67.7374 25.0346 4.11505 46.9667 4.11499 -8.0036 GPRESSAVG: 3403400 -11.3763 -71.8869 48.5005 -66.2887 25.7068 4.4843 46.8008 3.08399 -7.73453 TIMING: 3403400 CPU: 9864.25, 0.00288205/step Wall: 9864.25, 0.00288205/step, 1.27819 hours remaining, 211.250000 MB of memory in use. ENERGY: 3403400 722.8269 2109.9426 1956.3007 118.2273 -206261.5032 17747.1174 0.0000 0.0000 34266.5493 -149340.5389 299.2583 -183607.0882 -149242.9511 298.7090 53.9112 91.2655 557734.0326 2.1628 2.1986 PRESSURE: 3403600 80.6622 239.662 -245.942 239.663 -36.9451 -0.782803 -245.943 -0.782924 169.732 GPRESSURE: 3403600 57.713 251.629 -209.07 112.66 -5.03949 -44.365 -286.43 -65.0042 260.263 PRESSAVG: 3403600 -45.7202 17.2142 3.86598 17.2143 36.374 19.7633 3.86593 19.7631 30.524 GPRESSAVG: 3403600 -44.9591 19.3581 2.83843 15.4573 35.6892 18.2183 1.97174 21.19 30.7104 TIMING: 3403600 CPU: 9864.83, 0.00288961/step Wall: 9864.83, 0.00288961/step, 1.28138 hours remaining, 211.250000 MB of memory in use. ENERGY: 3403600 731.3379 2087.9166 1975.5157 102.5954 -206185.0794 17902.4992 0.0000 0.0000 34162.9845 -149222.2301 298.3538 -183385.2146 -149124.5406 299.2727 71.1496 104.3121 557566.3768 7.0593 7.1468 PRESSURE: 3403800 -33.924 7.84463 -72.9766 7.84534 -119.101 -63.5826 -72.9769 -63.5823 -71.0611 GPRESSURE: 3403800 -20.2053 8.12853 92.5708 96.9632 -108.936 -37.9612 -148.951 -72.1362 -12.6117 PRESSAVG: 3403800 -11.6363 -5.27548 -33.1443 -5.27543 23.8056 -31.2126 -33.1443 -31.2125 -13.538 GPRESSAVG: 3403800 -12.4842 -7.04569 -31.3546 -4.77069 24.001 -30.3133 -32.2279 -32.8709 -12.9741 TIMING: 3403800 CPU: 9865.41, 0.00289016/step Wall: 9865.41, 0.00289016/step, 1.28146 hours remaining, 211.250000 MB of memory in use. ENERGY: 3403800 740.4865 2088.3560 1951.6841 125.2067 -205796.0966 17652.7205 0.0000 0.0000 34013.3215 -149224.3213 297.0468 -183237.6428 -149130.8669 298.7397 -74.6952 -47.2510 558471.5099 -0.4562 -0.4858 PRESSURE: 3404000 -167.739 -69.8706 109.326 -69.8707 12.3971 180.709 109.325 180.711 -87.7809 GPRESSURE: 3404000 -151.754 -85.8029 82.1215 42.5903 48.1858 158.644 103.567 222.16 -38.0284 PRESSAVG: 3404000 -43.9844 -41.5607 -5.21364 -41.5607 35.7974 -4.93077 -5.21365 -4.93081 12.2254 GPRESSAVG: 3404000 -43.7664 -38.5799 -8.9932 -41.0527 36.7234 -4.78983 -3.85407 -4.94488 10.9967 TIMING: 3404000 CPU: 9865.99, 0.00289397/step Wall: 9865.99, 0.00289397/step, 1.28299 hours remaining, 211.250000 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: 3404000 787.4288 2145.1417 1979.5214 112.3324 -206415.6315 17816.6867 0.0000 0.0000 34465.1235 -149109.3971 300.9925 -183574.5206 -149007.4336 299.1874 -81.0409 -47.1990 558060.1699 1.3461 1.3179 PRESSURE: 3404200 -292.046 79.1787 121.868 79.1791 -114.049 85.1543 121.867 85.153 -209.16 GPRESSURE: 3404200 -247.081 96.2901 138.679 96.5944 -46.7004 128.177 226.592 72.6444 -213.059 PRESSAVG: 3404200 -79.1508 -43.9145 62.098 -43.9144 34.0369 73.1137 62.098 73.1136 51.5639 GPRESSAVG: 3404200 -79.1277 -46.3031 63.1379 -43.5929 33.5311 74.7522 61.1795 73.1053 52.2468 TIMING: 3404200 CPU: 9866.56, 0.00287522/step Wall: 9866.56, 0.00287522/step, 1.27452 hours remaining, 211.250000 MB of memory in use. ENERGY: 3404200 734.5899 2067.9726 1932.6286 119.1646 -206002.9424 17597.8284 0.0000 0.0000 34268.4898 -149282.2685 299.2752 -183550.7582 -149187.4622 299.3872 -205.0847 -168.9467 558883.8431 2.1500 2.2167 LDB: ============= START OF LOAD BALANCING ============== 9869.95 LDB: ============== END OF LOAD BALANCING =============== 9869.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9869.95 LDB: ============= START OF LOAD BALANCING ============== 9870.24 LDB: Largest compute 4792 load 0.023965 is 20.3% of average load 0.118023 LDB: Average compute 0.001723 is 1.5% of average load 0.118023 LDB: TIME 9870.24 LOAD: AVG 0.118023 MAX 0.179774 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.027 MB LDB: TIME 9870.24 LOAD: AVG 0.118023 MAX 0.179774 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.035 MB LDB: TIME 9870.24 LOAD: AVG 0.118023 MAX 0.179774 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.035 MB LDB: ============== END OF LOAD BALANCING =============== 9870.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9870.25 PRESSURE: 3404400 -263.47 152.005 30.4784 152.005 -31.596 136.632 30.4788 136.634 63.905 GPRESSURE: 3404400 -232.728 25.159 172.09 178.786 -4.43565 102.239 -35.611 158.539 101.196 PRESSAVG: 3404400 -32.3829 -7.36515 63.2984 -7.36513 -5.36101 5.24746 63.2984 5.24747 45.8134 GPRESSAVG: 3404400 -31.2649 -7.0314 63.1296 -5.91694 -5.74354 2.19475 62.1967 8.15885 44.6631 TIMING: 3404400 CPU: 9867.15, 0.00294482/step Wall: 9867.15, 0.00294482/step, 1.30521 hours remaining, 210.609375 MB of memory in use. ENERGY: 3404400 721.6192 2117.0276 1937.5718 111.5101 -205823.3691 17589.0304 0.0000 0.0000 34179.5068 -149167.1033 298.4981 -183346.6100 -149079.2938 298.7571 -77.0536 -45.3224 559189.5824 2.6899 2.5516 PRESSURE: 3404600 -203.147 -54.4325 25.0751 -54.4311 12.8399 31.6779 25.0733 31.6788 269.441 GPRESSURE: 3404600 -217.976 -78.6955 80.6815 -113.349 107.659 71.2735 -110.49 -21.9862 282.612 PRESSAVG: 3404600 -30.0105 -53.0611 1.5542 -53.0612 -4.25989 10.3633 1.5543 10.3633 34.4663 GPRESSAVG: 3404600 -30.4548 -50.7815 2.51204 -56.3042 -4.32838 12.3282 1.95644 6.61501 35.084 TIMING: 3404600 CPU: 9867.73, 0.00289808/step Wall: 9867.73, 0.00289808/step, 1.28433 hours remaining, 210.609375 MB of memory in use. ENERGY: 3404600 758.4860 2078.3871 1956.0613 96.4797 -206312.5618 17878.5040 0.0000 0.0000 34409.4337 -149135.2100 300.5061 -183544.6436 -149039.9891 298.5217 26.3778 57.4315 557922.1064 0.0653 0.1003 PRESSURE: 3404800 25.6263 85.6523 -152.845 85.6536 -108.397 -9.3452 -152.845 -9.34584 -4.95159 GPRESSURE: 3404800 69.3864 17.6991 -139.466 103.875 -75.9538 22.3993 -253.238 6.78383 21.6838 PRESSAVG: 3404800 -6.50371 -36.7236 -4.34444 -36.7236 -2.46591 10.2105 -4.34446 10.2105 46.169 GPRESSAVG: 3404800 -7.45586 -38.4114 -4.05629 -35.8446 -1.32594 11.5114 -3.48061 10.2325 46.0029 TIMING: 3404800 CPU: 9868.31, 0.00290174/step Wall: 9868.31, 0.00290174/step, 1.28579 hours remaining, 210.609375 MB of memory in use. ENERGY: 3404800 759.2380 2045.7111 1963.4438 126.1956 -206257.1616 17916.8035 0.0000 0.0000 34395.1988 -149050.5707 300.3818 -183445.7695 -148959.5056 299.5349 -29.2407 5.0388 557839.5106 12.3998 12.4070 PRESSURE: 3405000 -39.8504 -12.0951 6.17745 -12.0946 -91.838 6.87685 6.17783 6.87718 -16.6511 GPRESSURE: 3405000 6.12792 78.4841 -65.8396 -30.9469 -24.5275 -64.7324 13.3108 7.80242 -38.5001 PRESSAVG: 3405000 -9.31211 -34.4208 -10.6162 -34.4207 24.9111 72.7771 -10.6163 72.7771 -31.9081 GPRESSAVG: 3405000 -8.6431 -34.6011 -10.193 -33.673 25.6254 70.413 -10.2215 74.8163 -33.5254 TIMING: 3405000 CPU: 9868.9, 0.00292171/step Wall: 9868.9, 0.00292171/step, 1.29448 hours remaining, 210.609375 MB of memory in use. ENERGY: 3405000 696.5832 2056.9430 1955.4902 105.5971 -206108.9614 17773.6612 0.0000 0.0000 34337.9172 -149182.7695 299.8816 -183520.6867 -149084.5624 299.3108 -49.4465 -18.9666 559363.2617 -5.4364 -5.5143 PRESSURE: 3405200 85.5879 96.9334 -96.1954 96.9337 -60.4533 -32.4688 -96.1958 -32.4688 170.064 GPRESSURE: 3405200 202.614 22.5858 -142.005 49.9378 -74.5793 -9.76119 -118.26 -51.6692 167.138 PRESSAVG: 3405200 -6.68797 -28.9275 -8.4109 -28.9274 -40.5134 91.8 -8.41095 91.8 26.4499 GPRESSAVG: 3405200 -7.08455 -30.5612 -8.90428 -27.7674 -41.959 92.223 -8.77962 91.8938 28.0595 TIMING: 3405200 CPU: 9869.48, 0.00288733/step Wall: 9869.48, 0.00288733/step, 1.27909 hours remaining, 210.609375 MB of memory in use. ENERGY: 3405200 723.0687 2092.3251 1962.6205 110.6638 -206349.4500 17978.5247 0.0000 0.0000 34217.6144 -149264.6328 298.8309 -183482.2472 -149173.8372 298.8504 65.0663 98.3907 557243.7576 -6.9171 -6.9947 PRESSURE: 3405400 -122.257 13.764 -106.647 13.7624 -97.7465 -36.303 -106.648 -36.3039 16.6537 GPRESSURE: 3405400 -70.416 0.355712 -228.455 -60.2184 -89.8882 -72.3433 -30.9066 -68.1093 37.0151 PRESSAVG: 3405400 15.6222 0.310031 -30.0278 0.310145 6.10898 30.0875 -30.0277 30.0876 -24.6109 GPRESSAVG: 3405400 15.8643 0.711533 -30.275 1.37155 6.14872 30.4453 -31.1931 29.419 -25.0495 TIMING: 3405400 CPU: 9870.05, 0.0028873/step Wall: 9870.05, 0.0028873/step, 1.27892 hours remaining, 210.609375 MB of memory in use. ENERGY: 3405400 705.3098 2054.2670 1956.9770 112.8211 -205969.2482 17640.3597 0.0000 0.0000 34112.4362 -149387.0773 297.9124 -183499.5135 -149284.7716 298.3709 -67.7834 -41.0964 558481.6670 -0.9599 -1.0122 PRESSURE: 3405600 -21.9352 -6.03897 -90.7159 -6.03669 95.5793 116.504 -90.7157 116.503 35.306 GPRESSURE: 3405600 61.6131 -11.8764 -121.24 -22.7406 113.859 102.333 -31.9631 209.83 24.6341 PRESSAVG: 3405600 33.3031 -31.6879 13.6218 -31.6879 2.51621 -19.6476 13.6217 -19.6476 -38.1598 GPRESSAVG: 3405600 33.3897 -31.3679 16.5492 -33.6928 2.23031 -21.3992 12.5482 -17.7523 -38.6101 TIMING: 3405600 CPU: 9870.63, 0.00290456/step Wall: 9870.63, 0.00290456/step, 1.2864 hours remaining, 210.609375 MB of memory in use. ENERGY: 3405600 735.5431 2016.3369 1958.1061 113.4889 -206312.3769 17766.5519 0.0000 0.0000 34258.8117 -149463.5384 299.1907 -183722.3501 -149368.0688 298.1844 36.3167 66.7019 556541.8120 -0.7802 -0.9967 PRESSURE: 3405800 137.106 99.7509 18.2726 99.7517 109.416 -125.9 18.2748 -125.899 113.456 GPRESSURE: 3405800 214.868 18.874 -58.3144 150.537 90.6283 -102.934 78.4847 -191.268 147.454 PRESSAVG: 3405800 -5.57367 -16.9381 23.4406 -16.9382 -37.5713 -5.68723 23.4407 -5.68714 -19.9605 GPRESSAVG: 3405800 -5.84633 -16.0077 21.4356 -15.9157 -37.7188 -4.95581 26.7154 -7.47966 -19.7593 TIMING: 3405800 CPU: 9871.21, 0.00288062/step Wall: 9871.21, 0.00288062/step, 1.27563 hours remaining, 210.609375 MB of memory in use. ENERGY: 3405800 732.9522 2101.6448 1921.7395 115.8463 -206149.2204 17911.1171 0.0000 0.0000 33953.1721 -149412.7484 296.5215 -183365.9206 -149325.3898 297.8469 119.9925 150.9835 557936.0182 -21.0352 -21.1081 PRESSURE: 3406000 115.322 -1.2562 -14.5476 -1.25525 -0.0569729 2.18227 -14.5469 2.18404 -19.832 GPRESSURE: 3406000 146.663 37.9246 -123.866 -58.6387 8.36937 -30.0562 -11.0676 -1.84518 43.0666 PRESSAVG: 3406000 37.8162 -29.2531 -3.03968 -29.2531 -53.0719 -11.7378 -3.03971 -11.7379 -27.2686 GPRESSAVG: 3406000 37.7618 -29.4087 -5.03008 -28.7576 -53.9806 -11.4561 -4.36863 -10.2702 -26.4589 TIMING: 3406000 CPU: 9871.79, 0.00288328/step Wall: 9871.79, 0.00288328/step, 1.27665 hours remaining, 210.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3406000 724.0095 2049.6211 1926.3018 108.9495 -206319.7702 17717.0542 0.0000 0.0000 34253.2354 -149540.5986 299.1420 -183793.8340 -149441.6121 297.8418 31.8109 66.0328 556620.0413 -14.1748 -14.2259 PRESSURE: 3406200 67.2416 -244.316 -124.219 -244.317 162.736 -259.35 -124.219 -259.349 159.708 GPRESSURE: 3406200 148.655 -261.372 -70.6698 -196.307 184.537 -289.9 -177.475 -293.735 151.479 PRESSAVG: 3406200 38.0609 20.5448 0.793608 20.5448 -39.5405 -32.7871 0.793698 -32.7871 7.59716 GPRESSAVG: 3406200 37.4129 20.643 3.18269 19.6844 -39.2947 -33.8611 -0.110173 -33.507 8.24632 TIMING: 3406200 CPU: 9872.36, 0.00288769/step Wall: 9872.36, 0.00288769/step, 1.27845 hours remaining, 210.609375 MB of memory in use. ENERGY: 3406200 737.6323 2089.8740 1931.2540 102.9976 -206455.9002 17961.1071 0.0000 0.0000 34287.2034 -149345.8317 299.4387 -183633.0351 -149246.1639 298.0223 129.8954 161.5569 557421.2939 2.0392 2.1215 PRESSURE: 3406400 -19.812 80.5949 69.7814 80.5938 -19.7581 142.855 69.7816 142.855 -185.508 GPRESSURE: 3406400 -13.7297 44.9557 114.867 110.116 -20.1555 159.406 46.2031 182.089 -84.366 PRESSAVG: 3406400 20.3355 -1.10891 -7.66859 -1.10881 17.5005 1.72624 -7.66864 1.72626 -10.0121 GPRESSAVG: 3406400 21.408 -2.61623 -7.38437 -1.41475 17.5882 2.72462 -6.45698 1.47738 -11.4172 TIMING: 3406400 CPU: 9872.94, 0.00287029/step Wall: 9872.94, 0.00287029/step, 1.27058 hours remaining, 210.609375 MB of memory in use. ENERGY: 3406400 767.8327 2086.2952 1943.3990 108.8045 -206133.9431 17667.1972 0.0000 0.0000 34200.8092 -149359.6054 298.6842 -183560.4146 -149258.2187 298.1115 -75.0261 -39.4171 559148.5986 9.2746 9.1930 PRESSURE: 3406600 112.687 -43.0137 -16.0333 -43.0141 113.147 -18.3021 -16.0341 -18.3016 66.5235 GPRESSURE: 3406600 124.845 -19.0456 9.52715 -110.525 177.733 -53.7695 -86.0707 -13.0919 100.146 PRESSAVG: 3406600 -35.8271 11.8937 10.9654 11.8938 83.8642 6.49595 10.9654 6.49608 -28.8857 GPRESSAVG: 3406600 -35.9678 13.947 10.6876 10.2248 83.8336 6.93016 10.3451 7.61546 -28.4665 TIMING: 3406600 CPU: 9873.51, 0.00286207/step Wall: 9873.51, 0.00286207/step, 1.26678 hours remaining, 210.609375 MB of memory in use. ENERGY: 3406600 735.8077 2090.8334 1969.0965 118.9746 -206598.5417 18110.0775 0.0000 0.0000 34140.3103 -149433.4418 298.1558 -183573.7521 -149338.6965 298.4457 97.4528 134.2415 557261.7723 6.3838 6.4664 PRESSURE: 3406800 242.351 0.662532 51.4359 0.663498 -84.552 137.429 51.4367 137.429 -200.457 GPRESSURE: 3406800 290.862 15.7279 33.8446 -16.7308 -58.6101 90.5329 68.9711 208.69 -179.466 PRESSAVG: 3406800 26.0427 -51.741 74.612 -51.741 -24.0316 -42.0427 74.612 -42.0427 -43.2534 GPRESSAVG: 3406800 25.4974 -50.099 74.7701 -52.678 -23.1367 -41.696 74.1866 -42.649 -44.2569 TIMING: 3406800 CPU: 9874.09, 0.00288402/step Wall: 9874.09, 0.00288402/step, 1.27634 hours remaining, 210.609375 MB of memory in use. ENERGY: 3406800 735.4998 2026.9445 1940.3664 118.7878 -206377.0376 17898.5177 0.0000 0.0000 34236.0998 -149420.8216 298.9924 -183656.9213 -149328.7883 298.6665 -14.2192 17.5954 558053.3888 -13.7474 -13.9654 PRESSURE: 3407000 158.037 -135.588 12.6637 -135.589 -5.53766 286.481 12.6625 286.482 -99.5085 GPRESSURE: 3407000 237.873 -59.1381 82.0848 -81.8525 25.6432 318.443 -25.4553 192.689 -109.866 PRESSAVG: 3407000 22.5551 -6.3481 -4.52622 -6.34813 4.94595 -2.94887 -4.52631 -2.94889 -30.0837 GPRESSAVG: 3407000 22.5279 -9.27735 -5.48015 -3.89773 4.14387 -3.18484 -4.26349 -2.79398 -29.4248 TIMING: 3407000 CPU: 9874.66, 0.00287153/step Wall: 9874.66, 0.00287153/step, 1.27065 hours remaining, 210.609375 MB of memory in use. ENERGY: 3407000 772.7672 2019.7268 1954.4449 118.9462 -206485.8625 18005.7910 0.0000 0.0000 34153.9456 -149460.2408 298.2749 -183614.1864 -149367.1860 299.6493 17.6636 51.2167 558049.0136 -0.8609 -0.9177 PRESSURE: 3407200 81.5011 93.8429 35.3775 93.842 -141.02 -40.4467 35.3769 -40.4478 -357.177 GPRESSURE: 3407200 27.4108 79.6412 -66.1237 35.1227 -94.6313 -83.3951 56.7119 -27.6819 -246.086 PRESSAVG: 3407200 -4.98065 17.022 -2.90703 17.022 47.854 17.2488 -2.907 17.2488 -13.2889 GPRESSAVG: 3407200 -5.4487 17.588 -2.55958 17.4467 48.2257 20.1064 -2.49378 15.8506 -13.0744 TIMING: 3407200 CPU: 9875.24, 0.00288372/step Wall: 9875.24, 0.00288372/step, 1.27589 hours remaining, 210.609375 MB of memory in use. ENERGY: 3407200 773.0763 2100.6419 1963.8005 126.9751 -206286.3261 17806.4156 0.0000 0.0000 34271.8271 -149243.5896 299.3044 -183515.4167 -149145.8139 299.6067 -138.8986 -104.4355 557777.5951 9.8615 9.9008 PRESSURE: 3407400 -229.694 -80.6786 -167.535 -80.6797 29.5299 33.2932 -167.534 33.2932 -91.7513 GPRESSURE: 3407400 -181.386 -151.099 -124.557 -16.3932 25.7012 100.256 -112.47 -31.8819 -42.9688 PRESSAVG: 3407400 -9.98107 -32.3548 -24.584 -32.3548 15.8064 -24.012 -24.584 -24.012 1.28414 GPRESSAVG: 3407400 -9.83587 -32.527 -24.8375 -32.7419 16.5722 -24.6216 -24.4386 -24.0651 1.01131 TIMING: 3407400 CPU: 9875.82, 0.00290162/step Wall: 9875.82, 0.00290162/step, 1.28364 hours remaining, 210.609375 MB of memory in use. ENERGY: 3407400 768.1521 2096.4812 1960.3146 105.7793 -206419.5181 17720.6246 0.0000 0.0000 34512.3769 -149255.7895 301.4052 -183768.1664 -149159.7228 299.8566 -97.3051 -66.2177 556831.0094 2.3698 2.5825 PRESSURE: 3407600 -212.414 -98.7634 -71.4922 -98.7626 -0.907993 24.1538 -71.4925 24.154 -340.922 GPRESSURE: 3407600 -226.046 -151.963 -133.947 -66.6381 -18.4231 47.3686 -82.0187 -9.56456 -212.993 PRESSAVG: 3407600 -11.4856 7.20875 5.97504 7.20871 -3.20089 38.373 5.97495 38.373 49.0392 GPRESSAVG: 3407600 -11.9235 7.95443 6.20922 6.9481 -2.57523 36.4506 4.9348 39.0089 48.9724 TIMING: 3407600 CPU: 9876.4, 0.00290187/step Wall: 9876.4, 0.00290187/step, 1.28359 hours remaining, 210.609375 MB of memory in use. ENERGY: 3407600 749.9702 2076.9670 1930.5179 109.3668 -206314.3836 17666.2977 0.0000 0.0000 34226.5872 -149554.6768 298.9093 -183781.2640 -149453.3195 298.9763 -184.7480 -152.4873 557711.1359 11.4509 11.4912 PRESSURE: 3407800 421.93 -75.1135 36.5792 -75.1133 145.885 -47.8994 36.5808 -47.8993 -45.7269 GPRESSURE: 3407800 456.65 -77.4832 -1.14973 -60.768 215.988 -64.1731 18.2883 27.298 -56.4891 PRESSAVG: 3407800 20.9181 24.7756 -19.0606 24.7757 -36.6815 15.2555 -19.0607 15.2555 -0.93561 GPRESSAVG: 3407800 20.2877 24.1775 -17.4324 25.1997 -36.876 13.7496 -17.5556 15.4599 -0.00429441 TIMING: 3407800 CPU: 9876.98, 0.00291167/step Wall: 9876.98, 0.00291167/step, 1.28777 hours remaining, 210.609375 MB of memory in use. ENERGY: 3407800 669.9065 2097.9234 1982.3456 109.2908 -206470.7405 17944.0431 0.0000 0.0000 34091.4976 -149575.7336 297.7295 -183667.2311 -149482.9638 298.3313 174.0292 205.3832 557350.6282 -5.5663 -5.5309 PRESSURE: 3408000 -159.816 -0.987497 98.8641 -0.989411 0.230631 -35.0525 98.8658 -35.0517 -31.6917 GPRESSURE: 3408000 -88.7954 126.541 78.0649 66.1199 18.7771 -28.8445 128.01 -67.8007 -26.3977 PRESSAVG: 3408000 96.273 -2.02411 -11.1204 -2.02406 -37.0083 -14.2794 -11.1203 -14.2793 -49.8472 GPRESSAVG: 3408000 98.1806 -3.03709 -10.0465 -1.43986 -37.5687 -13.0551 -12.2755 -14.2185 -50.9828 TIMING: 3408000 CPU: 9877.56, 0.00291608/step Wall: 9877.56, 0.00291608/step, 1.28955 hours remaining, 210.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3408000 731.4298 2065.0451 1959.4490 103.5389 -206594.6260 17831.8957 0.0000 0.0000 34230.6457 -149672.6218 298.9447 -183903.2675 -149577.6246 298.3777 -63.7590 -32.1387 557918.4596 3.1391 3.2097 PRESSURE: 3408200 75.336 -81.3715 88.7538 -81.3706 -14.42 154.777 88.7532 154.779 -57.2292 GPRESSURE: 3408200 139.542 -149.376 63.7248 13.9816 27.1451 115.57 83.1561 145.936 -72.0176 PRESSAVG: 3408200 20.4166 -7.4142 12.312 -7.41428 -29.0261 -28.0725 12.312 -28.0725 25.5601 GPRESSAVG: 3408200 20.2453 -8.38537 11.2675 -9.12443 -28.4418 -27.8819 11.3763 -28.9273 25.2621 TIMING: 3408200 CPU: 9878.14, 0.00287683/step Wall: 9878.14, 0.00287683/step, 1.27204 hours remaining, 210.609375 MB of memory in use. ENERGY: 3408200 776.2400 2061.7994 1946.4394 119.0754 -206679.3570 17926.7159 0.0000 0.0000 34135.3425 -149713.7444 298.1124 -183849.0869 -149621.0845 297.8370 1.2289 31.5564 557156.5523 5.6502 5.6885 LDB: ============= START OF LOAD BALANCING ============== 9881.53 LDB: ============== END OF LOAD BALANCING =============== 9881.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9881.53 LDB: ============= START OF LOAD BALANCING ============== 9881.82 LDB: Largest compute 4792 load 0.023951 is 20.3% of average load 0.117917 LDB: Average compute 0.001719 is 1.5% of average load 0.117917 LDB: TIME 9881.82 LOAD: AVG 0.117917 MAX 0.180341 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.641 MB LDB: TIME 9881.82 LOAD: AVG 0.117917 MAX 0.180341 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 9881.82 LOAD: AVG 0.117917 MAX 0.180341 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: ============== END OF LOAD BALANCING =============== 9881.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9881.83 PRESSURE: 3408400 -114.245 57.8489 -1.45137 57.8474 -88.5773 200.351 -1.45101 200.35 -236.671 GPRESSURE: 3408400 -50.6027 9.92699 49.183 133.981 -43.1419 206.886 -31.1112 151.697 -246.763 PRESSAVG: 3408400 54.8333 24.7277 -7.21092 24.7278 -30.428 8.54759 -7.21093 8.54754 -19.6505 GPRESSAVG: 3408400 54.5049 25.0959 -7.64029 25.5414 -31.1917 9.78882 -5.83644 6.25794 -19.0081 TIMING: 3408400 CPU: 9878.73, 0.00296422/step Wall: 9878.73, 0.00296422/step, 1.31051 hours remaining, 209.640625 MB of memory in use. ENERGY: 3408400 725.7201 2091.6552 1937.5847 122.4825 -206091.8967 17558.0413 0.0000 0.0000 34112.8362 -149543.5767 297.9159 -183656.4128 -149445.5569 297.5243 -146.4977 -113.5026 557728.7470 1.5849 1.4350 PRESSURE: 3408600 -348.749 115.392 -6.53493 115.393 -68.4479 -39.5515 -6.53457 -39.5523 -417.871 GPRESSURE: 3408600 -290.412 84.0463 -26.5855 126.739 -52.5747 -144.814 44.5404 47.5266 -391.666 PRESSAVG: 3408600 -5.84991 89.4565 13.3486 89.4565 31.2121 -43.3406 13.3486 -43.3406 -13.1809 GPRESSAVG: 3408600 -5.15727 90.8003 14.271 88.7369 30.9851 -46.089 12.4537 -39.1754 -13.9479 TIMING: 3408600 CPU: 9879.31, 0.00288198/step Wall: 9879.31, 0.00288198/step, 1.274 hours remaining, 209.843750 MB of memory in use. ENERGY: 3408600 731.7884 2080.1528 1947.2860 112.4424 -205741.8769 17477.1629 0.0000 0.0000 33943.0006 -149450.0437 296.4327 -183393.0443 -149350.9242 298.4106 -278.3559 -244.8841 560187.4602 4.0604 3.9600 PRESSURE: 3408800 -280.309 80.6762 -25.8028 80.6764 -27.6387 61.4957 -25.8029 61.4944 -59.7508 GPRESSURE: 3408800 -206.006 58.034 63.2823 132.342 8.84607 18.7085 37.6417 102.835 -75.3097 PRESSAVG: 3408800 53.6441 65.5984 -49.479 65.5984 -61.4448 -56.8959 -49.4791 -56.8957 16.5125 GPRESSAVG: 3408800 53.2818 66.3735 -50.7066 64.6018 -60.9089 -56.8725 -47.5036 -56.7291 17.2275 TIMING: 3408800 CPU: 9879.88, 0.00286545/step Wall: 9879.88, 0.00286545/step, 1.26653 hours remaining, 209.843750 MB of memory in use. ENERGY: 3408800 735.1041 2070.7871 1960.8484 108.0190 -206391.2814 17830.3937 0.0000 0.0000 34164.7811 -149521.3480 298.3695 -183686.1290 -149425.7385 298.3171 -122.5661 -90.8234 560170.5909 2.9039 3.2001 PRESSURE: 3409000 -68.6971 -44.0927 97.4619 -44.0925 330.843 -80.0644 97.4601 -80.063 174.129 GPRESSURE: 3409000 -85.5625 66.4523 64.1533 -133.148 456.326 -155.194 120.297 -45.3625 168.796 PRESSAVG: 3409000 32.9334 -13.6176 -12.2378 -13.6177 -20.4319 6.67601 -12.2379 6.67594 8.66102 GPRESSAVG: 3409000 32.9285 -13.2652 -10.2482 -13.9696 -20.4332 9.12374 -14.604 5.38785 8.24328 TIMING: 3409000 CPU: 9880.46, 0.00287774/step Wall: 9880.46, 0.00287774/step, 1.2718 hours remaining, 209.843750 MB of memory in use. ENERGY: 3409000 733.4944 2071.1037 1963.5090 112.0573 -206840.3296 18130.3066 0.0000 0.0000 34312.1193 -149517.7393 299.6563 -183829.8587 -149418.7474 298.9073 145.4251 179.8529 555850.3095 7.0542 6.9129 PRESSURE: 3409200 -274.096 -5.4745 45.3435 -5.47461 -216.401 1.74237 45.3428 1.74232 -216.737 GPRESSURE: 3409200 -229.942 -51.3052 55.7389 -27.9784 -163.381 -70.0835 41.6286 38.0162 -195.98 PRESSAVG: 3409200 -11.662 -20.5581 -39.2603 -20.5581 6.97807 87.2329 -39.2602 87.2329 16.8371 GPRESSAVG: 3409200 -11.6086 -21.0136 -42.4389 -19.1695 6.30151 85.5624 -37.6572 87.1251 18.1951 TIMING: 3409200 CPU: 9881.04, 0.00289283/step Wall: 9881.04, 0.00289283/step, 1.27831 hours remaining, 209.843750 MB of memory in use. ENERGY: 3409200 720.9268 2090.2571 1938.4975 125.7650 -206003.6726 17524.5663 0.0000 0.0000 34041.7157 -149561.9441 297.2948 -183603.6598 -149466.8703 298.6876 -235.7445 -196.4346 558815.3176 4.0511 4.2960 PRESSURE: 3409400 -21.1939 -82.52 122.13 -82.5193 -72.2948 -160.372 122.13 -160.373 -209.321 GPRESSURE: 3409400 -46.764 -79.3692 45.9669 -63.7208 -2.71655 -143.254 98.0197 -256.019 -153.896 PRESSAVG: 3409400 53.7772 -70.283 -18.2155 -70.2828 37.6911 -45.297 -18.2155 -45.2971 -101.426 GPRESSAVG: 3409400 54.4434 -70.2987 -15.6607 -71.605 37.9186 -43.5385 -18.9966 -46.3744 -102.418 TIMING: 3409400 CPU: 9881.61, 0.00288742/step Wall: 9881.61, 0.00288742/step, 1.27576 hours remaining, 209.843750 MB of memory in use. ENERGY: 3409400 742.4456 2061.4181 1954.6490 115.8967 -206368.0356 17814.5208 0.0000 0.0000 34217.7079 -149461.3975 298.8318 -183679.1054 -149366.2439 298.5785 -100.9366 -67.7922 559485.7671 -3.3191 -3.3521 PRESSURE: 3409600 -93.8819 2.14186 -193.11 2.14241 -145.01 15.8856 -193.11 15.8845 -298.173 GPRESSURE: 3409600 -75.3322 -15.0083 -160.883 22.0534 -60.5986 70.1061 -194.282 21.4193 -316.761 PRESSAVG: 3409600 30.2905 13.3608 -44.4983 13.3607 17.9297 -7.63151 -44.4983 -7.63151 -27.5631 GPRESSAVG: 3409600 29.7004 12.1638 -46.3085 15.9235 16.6724 -8.35945 -43.883 -6.47955 -26.1479 TIMING: 3409600 CPU: 9882.2, 0.00291729/step Wall: 9882.2, 0.00291729/step, 1.28879 hours remaining, 209.843750 MB of memory in use. ENERGY: 3409600 757.2441 2104.0338 1930.4415 128.6740 -206233.4256 17740.9159 0.0000 0.0000 34123.3333 -149448.7830 298.0076 -183572.1163 -149355.6434 298.2420 -179.0217 -150.8972 558240.7851 6.8857 6.7416 PRESSURE: 3409800 -324.364 -53.8492 50.079 -53.8494 50.21 88.7594 50.0783 88.759 -118.209 GPRESSURE: 3409800 -223.414 -73.2875 9.73865 -92.0196 -16.9159 20.1589 -2.54422 134.78 -62.603 PRESSAVG: 3409800 22.1621 -68.244 -5.3247 -68.244 16.0567 19.8209 -5.32469 19.8208 -14.0845 GPRESSAVG: 3409800 22.7916 -67.0189 -3.23561 -68.0984 15.778 17.6865 -6.91941 20.0255 -13.7703 TIMING: 3409800 CPU: 9882.78, 0.00291428/step Wall: 9882.78, 0.00291428/step, 1.2873 hours remaining, 209.843750 MB of memory in use. ENERGY: 3409800 763.9068 2102.9661 1952.8269 110.0544 -206625.9367 17952.2471 0.0000 0.0000 34340.1216 -149403.8138 299.9008 -183743.9354 -149310.9117 298.6790 -130.7876 -100.9776 557173.9863 8.0448 8.2665 PRESSURE: 3410000 155.848 2.10169 75.3556 2.10269 -19.8622 -8.71907 75.356 -8.71924 231.454 GPRESSURE: 3410000 225.039 -3.13077 33.3431 -28.5873 27.6272 -41.5395 42.5958 24.3455 219.71 PRESSAVG: 3410000 33.1057 -6.37272 -24.1918 -6.37277 -6.43564 48.3503 -24.1918 48.3502 17.579 GPRESSAVG: 3410000 33.832 -7.01577 -25.941 -7.62011 -6.03888 49.9705 -20.2367 46.6393 16.2958 TIMING: 3410000 CPU: 9883.36, 0.00288681/step Wall: 9883.36, 0.00288681/step, 1.27501 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3410000 693.9409 2099.7785 1944.5357 121.1344 -206574.8897 18042.0707 0.0000 0.0000 34231.4351 -149441.9945 298.9516 -183673.4295 -149340.7896 298.3399 122.4801 157.4586 557060.7351 14.7497 14.6963 PRESSURE: 3410200 -114.175 -109.154 -21.025 -109.154 -416.216 -32.3307 -21.0261 -32.33 319.256 GPRESSURE: 3410200 -104.09 -47.6676 -22.3094 -64.3847 -328.721 -133.435 8.27896 67.3066 318.835 PRESSAVG: 3410200 19.2592 -7.43261 -2.5664 -7.43266 13.3222 -0.318987 -2.56633 -0.318834 -22.1948 GPRESSAVG: 3410200 18.6796 -6.85105 -1.78685 -7.32908 12.7931 -0.308581 -5.26172 0.760167 -21.7181 TIMING: 3410200 CPU: 9883.94, 0.00291247/step Wall: 9883.94, 0.00291247/step, 1.28618 hours remaining, 209.843750 MB of memory in use. ENERGY: 3410200 767.9081 2103.7630 1946.6327 117.9011 -206345.6539 17781.8243 0.0000 0.0000 34169.9589 -149457.6658 298.4147 -183627.6247 -149363.4728 298.9748 -70.3782 -37.9920 558412.8279 3.4622 3.2515 PRESSURE: 3410400 -28.9511 -63.8959 74.8578 -63.8969 -138.707 -67.1517 74.857 -67.1512 63.6374 GPRESSURE: 3410400 -4.45355 6.25058 37.5001 -178.058 -117.4 -105.381 106.079 -30.2972 104.005 PRESSAVG: 3410400 55.0845 -0.906028 -49.5076 -0.906035 -14.6515 -13.3124 -49.5075 -13.3125 2.36012 GPRESSAVG: 3410400 54.2654 -0.213055 -50.5885 0.361838 -13.5963 -13.8186 -49.0757 -12.4407 1.78669 TIMING: 3410400 CPU: 9884.52, 0.00289702/step Wall: 9884.52, 0.00289702/step, 1.2792 hours remaining, 209.843750 MB of memory in use. ENERGY: 3410400 709.5125 2092.3686 1961.3013 120.0261 -206091.9306 17804.4998 0.0000 0.0000 34101.7590 -149302.4633 297.8191 -183404.2223 -149204.2306 298.6979 -34.6736 -5.9495 558214.3950 14.2644 14.1519 PRESSURE: 3410600 -118.876 -69.3468 47.1972 -69.3467 -107.047 56.2851 47.1964 56.2866 -232.022 GPRESSURE: 3410600 -131.52 -100.702 45.5003 -19.2624 -58.376 106.737 -19.5643 90.491 -182.063 PRESSAVG: 3410600 0.907659 31.0396 -6.09487 31.0397 68.0789 13.8107 -6.09488 13.8108 -37.3171 GPRESSAVG: 3410600 1.43057 31.477 -4.35649 30.442 67.8769 14.0427 -7.36538 11.5606 -37.5091 TIMING: 3410600 CPU: 9885.1, 0.00288611/step Wall: 9885.1, 0.00288611/step, 1.27422 hours remaining, 209.843750 MB of memory in use. ENERGY: 3410600 732.6407 2101.0727 1944.1512 111.3078 -206408.1465 17763.5243 0.0000 0.0000 34388.9332 -149366.5165 300.3271 -183755.4497 -149268.7718 298.5709 -152.6481 -123.9865 557886.6207 10.5565 10.5995 PRESSURE: 3410800 -94.3448 6.53755 17.021 6.53852 164.524 -110.02 17.0215 -110.019 21.4779 GPRESSURE: 3410800 -11.3036 -18.9491 31.7683 46.5431 107.536 -114.964 18.0995 -60.3474 80.939 PRESSAVG: 3410800 14.8801 54.9757 -13.5453 54.9757 14.2471 37.817 -13.5452 37.817 -35.1876 GPRESSAVG: 3410800 14.3504 53.8125 -15.4761 55.2171 13.7062 36.8592 -10.7921 41.699 -34.7194 TIMING: 3410800 CPU: 9885.67, 0.00288131/step Wall: 9885.67, 0.00288131/step, 1.27194 hours remaining, 209.843750 MB of memory in use. ENERGY: 3410800 767.4082 2111.0209 1984.6275 116.7750 -206577.2577 17958.4944 0.0000 0.0000 34243.7499 -149395.1819 299.0592 -183638.9318 -149293.5875 299.2342 30.5522 59.0570 557381.0868 -2.0201 -2.2210 PRESSURE: 3411000 -42.1027 25.492 -65.2881 25.4915 -255.091 -44.8839 -65.2886 -44.8842 67.9251 GPRESSURE: 3411000 -5.12875 56.5527 -74.7864 24.4582 -211.445 -46.5149 -95.1963 -55.0872 82.6621 PRESSAVG: 3411000 70.8779 49.6977 -30.4438 49.6978 -22.0984 18.3576 -30.4438 18.3575 -36.9125 GPRESSAVG: 3411000 72.1046 49.7921 -27.4458 50.0258 -22.3414 19.7867 -30.436 15.8918 -37.6128 TIMING: 3411000 CPU: 9886.25, 0.00289317/step Wall: 9886.25, 0.00289317/step, 1.27701 hours remaining, 209.843750 MB of memory in use. ENERGY: 3411000 764.1870 2098.5565 1947.2365 109.6564 -206329.5746 17844.3730 0.0000 0.0000 34400.9018 -149164.6633 300.4316 -183565.5652 -149067.8505 299.4694 -76.4230 -44.6372 558068.2279 3.9556 4.0501 PRESSURE: 3411200 104.052 122.892 -16.9268 122.892 5.60717 92.6141 -16.9251 92.6157 47.3532 GPRESSURE: 3411200 173.184 105.84 9.77022 117.417 71.2895 80.3434 -71.231 18.7797 17.8622 PRESSAVG: 3411200 12.8199 6.66385 -27.3887 6.66384 45.7209 -11.6901 -27.3887 -11.6902 -30.3323 GPRESSAVG: 3411200 11.8541 5.77625 -28.9391 6.1348 45.7176 -12.6101 -28.8117 -11.7701 -29.6362 TIMING: 3411200 CPU: 9886.83, 0.00288378/step Wall: 9886.83, 0.00288378/step, 1.27271 hours remaining, 209.843750 MB of memory in use. ENERGY: 3411200 757.6512 2117.3048 1969.2107 116.8721 -206311.9509 17923.8496 0.0000 0.0000 34410.1266 -149016.9359 300.5122 -183427.0625 -148917.9999 300.0857 52.3375 87.4453 558086.4182 9.4028 9.3118 PRESSURE: 3411400 -67.128 169.627 -18.5185 169.627 -230.046 -51.2797 -18.5191 -51.2802 -139.002 GPRESSURE: 3411400 -60.4697 113.703 50.5916 224.725 -213.132 42.1213 -74.2367 78.3003 -65.7094 PRESSAVG: 3411400 -37.023 -6.06556 -30.7373 -6.06557 -30.3799 -0.725188 -30.7372 -0.725113 91.7799 GPRESSAVG: 3411400 -36.984 -3.74963 -29.0311 -7.49213 -29.6541 -0.285744 -31.7917 -0.302625 90.718 TIMING: 3411400 CPU: 9887.41, 0.00289462/step Wall: 9887.41, 0.00289462/step, 1.27733 hours remaining, 209.843750 MB of memory in use. ENERGY: 3411400 747.1384 2094.9889 1953.6174 130.8161 -206172.7683 17773.0451 0.0000 0.0000 34427.8193 -149045.3430 300.6667 -183473.1623 -148944.9893 299.6606 -145.3919 -113.1038 558211.0216 8.1257 8.0266 PRESSURE: 3411600 -221.44 19.6391 146.72 19.6382 90.8436 -12.5968 146.72 -12.5967 142.993 GPRESSURE: 3411600 -160.015 72.0806 116.304 69.213 130.753 -22.6269 159.409 -35.151 152.454 PRESSAVG: 3411600 -27.894 -20.4478 -32.8257 -20.4477 -18.1907 55.03 -32.8257 55.03 49.5597 GPRESSAVG: 3411600 -27.9353 -20.2578 -33.5006 -21.5546 -18.6845 54.8309 -33.0142 55.9339 50.0734 TIMING: 3411600 CPU: 9887.98, 0.00287345/step Wall: 9887.98, 0.00287345/step, 1.26783 hours remaining, 209.843750 MB of memory in use. ENERGY: 3411600 713.9119 2124.6816 1964.9101 119.8521 -205802.8818 17585.4747 0.0000 0.0000 34238.9553 -149055.0960 299.0173 -183294.0514 -148953.3332 300.1420 4.1321 41.0640 557538.0238 1.1583 1.1512 PRESSURE: 3411800 -206.331 -77.4958 102.259 -77.4957 3.07251 -2.69506 102.259 -2.69512 118.117 GPRESSURE: 3411800 -210.678 -112.703 87.0159 -96.6887 81.8903 -1.41385 58.7254 1.75069 146.526 PRESSAVG: 3411800 -20.2827 -38.7719 47.0617 -38.7718 -40.5673 27.3903 47.0617 27.3903 54.5874 GPRESSAVG: 3411800 -20.477 -40.6956 47.8596 -37.7791 -40.7398 26.9716 48.7851 25.5142 54.6952 TIMING: 3411800 CPU: 9888.56, 0.0028821/step Wall: 9888.56, 0.00288209/step, 1.27148 hours remaining, 209.843750 MB of memory in use. ENERGY: 3411800 743.5775 2042.3525 1977.9359 113.6765 -205946.4060 17737.1366 0.0000 0.0000 34170.6007 -149161.1263 298.4204 -183331.7271 -149064.2980 299.2409 -28.3804 5.9129 559345.1414 -2.0875 -2.1739 PRESSURE: 3412000 2.60697 -60.4249 42.9076 -60.4253 78.5837 28.5738 42.9072 28.5746 124.673 GPRESSURE: 3412000 21.4161 -56.3521 42.1841 -30.6149 149.599 32.9956 127.43 -39.2416 148.77 PRESSAVG: 3412000 -38.5061 -18.7588 -18.9614 -18.7589 24.318 45.3829 -18.9613 45.383 27.3466 GPRESSAVG: 3412000 -38.7148 -18.1813 -19.8536 -17.9582 24.6903 46.9068 -18.8654 46.0835 27.4774 TIMING: 3412000 CPU: 9889.14, 0.0028909/step Wall: 9889.14, 0.0028909/step, 1.27521 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3412000 700.1043 2135.2916 1928.3445 111.7024 -206433.3989 18035.8422 0.0000 0.0000 34278.1745 -149243.9392 299.3598 -183522.1138 -149140.5089 299.2397 68.6211 106.5950 558054.3130 4.3861 4.4843 PRESSURE: 3412200 -39.0159 12.7525 -44.4105 12.754 119.351 5.02562 -44.4111 5.02599 256.96 GPRESSURE: 3412200 -23.8872 -0.522443 21.6923 -60.221 209.807 27.6407 -69.4958 -25.014 260.982 PRESSAVG: 3412200 -120.86 -2.35259 -0.240578 -2.35253 -28.5931 25.0421 -0.240586 25.0422 48.5461 GPRESSAVG: 3412200 -121.937 -2.48294 -1.62377 -2.68952 -28.9943 21.8591 2.28333 27.8649 50.1766 TIMING: 3412200 CPU: 9889.72, 0.00289568/step Wall: 9889.72, 0.00289568/step, 1.27716 hours remaining, 209.843750 MB of memory in use. ENERGY: 3412200 739.3161 2102.3202 1942.5098 110.3021 -206517.9698 17926.7440 0.0000 0.0000 34480.4994 -149216.2782 301.1268 -183696.7775 -149115.4061 299.2622 112.4317 148.9672 556789.8247 -33.6356 -33.5848 LDB: ============= START OF LOAD BALANCING ============== 9893.11 LDB: ============== END OF LOAD BALANCING =============== 9893.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9893.11 LDB: ============= START OF LOAD BALANCING ============== 9893.4 LDB: Largest compute 4772 load 0.023820 is 20.2% of average load 0.118024 LDB: Average compute 0.001716 is 1.5% of average load 0.118024 LDB: TIME 9893.4 LOAD: AVG 0.118024 MAX 0.178387 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.176 MB LDB: TIME 9893.4 LOAD: AVG 0.118024 MAX 0.178387 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.379 MB LDB: TIME 9893.4 LOAD: AVG 0.118024 MAX 0.178387 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.379 MB LDB: ============== END OF LOAD BALANCING =============== 9893.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9893.41 PRESSURE: 3412400 -304.682 0.704372 -8.83174 0.705015 7.31102 -12.2944 -8.83016 -12.294 -211.233 GPRESSURE: 3412400 -218.185 -4.56692 13.7511 -82.6555 43.7684 14.3709 -38.5633 -9.35543 -230.851 PRESSAVG: 3412400 -58.2442 15.0533 9.43235 15.0533 -2.69414 -31.7313 9.43234 -31.7314 66.4171 GPRESSAVG: 3412400 -57.8205 13.8972 8.40704 16.4303 -2.88153 -29.8649 8.84529 -32.6953 66.2278 TIMING: 3412400 CPU: 9890.31, 0.00297373/step Wall: 9890.31, 0.00297373/step, 1.31142 hours remaining, 211.496094 MB of memory in use. ENERGY: 3412400 745.6058 2059.3980 1934.0186 112.4731 -205651.3607 17589.4071 0.0000 0.0000 34107.4871 -149102.9710 297.8692 -183210.4580 -149007.3678 299.2494 -169.5348 -135.0894 557858.7458 1.8263 1.8419 PRESSURE: 3412600 -15.1396 -58.9892 -47.0592 -58.989 143.156 83.1914 -47.0581 83.1923 -148.977 GPRESSURE: 3412600 -11.0149 -60.0572 -93.4778 -83.0359 167.984 145.969 -76.1078 62.6838 -75.9638 PRESSAVG: 3412600 -10.4072 4.41764 24.4086 4.4176 -9.86466 -20.3151 24.4086 -20.3152 72.4247 GPRESSAVG: 3412600 -11.1933 4.38236 27.4636 3.82019 -9.39815 -18.9827 23.6152 -22.4054 72.0925 TIMING: 3412600 CPU: 9890.89, 0.00291825/step Wall: 9890.89, 0.00291825/step, 1.28679 hours remaining, 211.890625 MB of memory in use. ENERGY: 3412600 716.7466 2041.7059 1945.1163 113.8294 -205934.8269 17688.5897 0.0000 0.0000 34200.3642 -149228.4748 298.6803 -183428.8390 -149134.1131 299.2304 -6.9868 27.0018 557890.4243 17.3843 17.1670 PRESSURE: 3412800 127.013 -58.8674 -45.242 -58.868 -373.355 18.6515 -45.2428 18.6497 -184.412 GPRESSURE: 3412800 152.157 -21.2639 -92.5909 -57.904 -312.586 19.5636 10.1044 -92.1014 -175.04 PRESSAVG: 3412800 12.8445 -44.8451 0.15537 -44.8452 9.09579 16.412 0.155373 16.412 -15.7247 GPRESSAVG: 3412800 14.1415 -43.8543 0.00712236 -45.4867 8.87287 14.734 0.472327 16.6426 -17.099 TIMING: 3412800 CPU: 9891.47, 0.00288097/step Wall: 9891.47, 0.00288097/step, 1.27019 hours remaining, 211.890625 MB of memory in use. ENERGY: 3412800 757.2013 2085.6310 1968.0711 134.6641 -205692.7684 17488.2405 0.0000 0.0000 34176.6066 -149082.3538 298.4728 -183258.9604 -148988.8099 298.7976 -143.5844 -111.8229 557953.7043 2.0719 1.9718 PRESSURE: 3413000 -186.654 251.289 -54.9471 251.289 -277.736 81.2467 -54.9469 81.247 -188.73 GPRESSURE: 3413000 -125.027 223.835 -22.2572 192.09 -240.525 65.7843 -68.5937 88.3728 -185.177 PRESSAVG: 3413000 19.972 -3.31554 -44.0551 -3.3155 -14.9598 -15.057 -44.0551 -15.057 46.0773 GPRESSAVG: 3413000 19.9451 -2.9792 -45.4667 -4.80874 -14.4668 -15.3719 -43.4443 -12.1003 46.3095 TIMING: 3413000 CPU: 9892.05, 0.00289476/step Wall: 9892.05, 0.00289476/step, 1.27611 hours remaining, 211.890625 MB of memory in use. ENERGY: 3413000 702.8474 2123.8341 1974.3365 105.8458 -205729.2994 17511.3915 0.0000 0.0000 34184.1136 -149126.9306 298.5384 -183311.0441 -149023.9177 298.8619 -217.7066 -183.5766 558313.6251 17.0298 17.2626 PRESSURE: 3413200 139.176 50.9574 -37.3967 50.9589 -177.88 207.948 -37.3975 207.949 160.508 GPRESSURE: 3413200 165.581 41.8807 -85.1146 50.2843 -105.026 252.709 -84.5954 201.819 150.949 PRESSAVG: 3413200 40.795 -56.1672 -51.2432 -56.1671 -16.2728 -23.2161 -51.2432 -23.2161 2.06792 GPRESSAVG: 3413200 41.1157 -56.9837 -49.4469 -55.0151 -16.9273 -21.8507 -53.3485 -25.599 3.31985 TIMING: 3413200 CPU: 9892.63, 0.00290672/step Wall: 9892.63, 0.00290672/step, 1.28122 hours remaining, 211.890625 MB of memory in use. ENERGY: 3413200 770.2734 2074.1444 1962.4154 113.7717 -206025.7982 17722.4652 0.0000 0.0000 34308.4087 -149074.3193 299.6239 -183382.7280 -148981.4626 299.5649 40.6015 70.5014 558151.6787 8.8634 9.1694 PRESSURE: 3413400 -142.483 127.848 -115.107 127.848 143.699 16.0152 -115.107 16.0155 158.059 GPRESSURE: 3413400 -138.958 251.939 -99.9374 94.821 135.857 62.4085 -55.8523 52.0247 250.334 PRESSAVG: 3413400 13.1998 26.3542 -19.1385 26.3541 44.8445 54.119 -19.1386 54.119 -38.9896 GPRESSAVG: 3413400 12.8467 28.4856 -18.2026 27.008 45.9011 50.149 -19.5601 56.9064 -39.1078 TIMING: 3413400 CPU: 9893.21, 0.00289271/step Wall: 9893.21, 0.00289271/step, 1.27488 hours remaining, 211.890625 MB of memory in use. ENERGY: 3413400 747.9591 2101.2595 1972.1008 111.3151 -206103.9694 17928.0946 0.0000 0.0000 34287.7322 -148955.5081 299.4433 -183243.2403 -148863.5583 299.9427 53.0918 82.4113 558590.3381 6.3516 6.5467 PRESSURE: 3413600 -159.029 -125.216 -141.492 -125.215 51.2762 -39.6431 -141.493 -39.6432 -142.545 GPRESSURE: 3413600 -142.609 -141.787 -67.5894 -37.7455 144.647 -12.9958 -195.725 -122.773 -171.707 PRESSAVG: 3413600 38.8765 -24.8349 0.385666 -24.8349 49.5011 11.1443 0.385573 11.1444 -28.9046 GPRESSAVG: 3413600 39.4657 -25.1372 0.233417 -24.7724 50.1304 14.0304 0.788883 7.30905 -29.9679 TIMING: 3413600 CPU: 9893.79, 0.00288832/step Wall: 9893.79, 0.00288832/step, 1.27278 hours remaining, 211.890625 MB of memory in use. ENERGY: 3413600 730.2546 2161.3232 1969.0200 108.9426 -206302.8565 17867.9339 0.0000 0.0000 34348.4281 -149116.9541 299.9734 -183465.3822 -149012.9678 299.5838 -83.4324 -56.5562 559109.8970 19.8243 19.8761 PRESSURE: 3413800 -105.582 -151.756 115.018 -151.755 -59.0889 24.3298 115.017 24.329 134.267 GPRESSURE: 3413800 -68.0855 -115.788 11.9575 -143.473 3.39451 43.345 106.383 40.5425 145.624 PRESSAVG: 3413800 -0.397656 24.5972 -25.8254 24.5972 37.7408 -16.3401 -25.8256 -16.3401 -31.4846 GPRESSAVG: 3413800 -0.587284 21.8571 -26.0368 26.9386 36.3045 -16.7197 -25.609 -15.4834 -29.3007 TIMING: 3413800 CPU: 9894.37, 0.0029081/step Wall: 9894.37, 0.0029081/step, 1.28134 hours remaining, 211.890625 MB of memory in use. ENERGY: 3413800 768.1037 2104.0322 1921.8074 99.3885 -206093.5179 17859.8479 0.0000 0.0000 34124.6680 -149215.6701 298.0192 -183340.3381 -149113.2495 299.0537 -10.1345 26.9775 557666.9992 1.9528 2.1388 PRESSURE: 3414000 -202.856 41.9154 42.5081 41.9138 90.6835 -50.1818 42.5082 -50.1817 -51.3774 GPRESSURE: 3414000 -189.145 54.3061 18.9428 61.8498 75.3205 -34.603 136.491 16.5246 38.1132 PRESSAVG: 3414000 29.9583 24.8963 -40.8976 24.8963 8.70608 11.4873 -40.8976 11.4872 16.0008 GPRESSAVG: 3414000 30.7961 26.143 -41.9765 22.9441 8.85599 11.7779 -38.1007 12.7475 14.8032 TIMING: 3414000 CPU: 9894.94, 0.00285692/step Wall: 9894.94, 0.00285692/step, 1.25863 hours remaining, 211.890625 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: 3414000 753.2898 2080.0718 1941.7049 114.9935 -206173.5638 17768.6310 0.0000 0.0000 34283.3512 -149231.5217 299.4050 -183514.8728 -149137.6774 298.7756 -54.5166 -25.2371 557807.7294 18.2217 18.1518 PRESSURE: 3414200 -174.275 33.4231 -81.7432 33.4243 -181.871 -57.5197 -81.742 -57.5183 19.752 GPRESSURE: 3414200 -159.181 0.297175 -118.003 36.9519 -123.368 -92.0454 -102.659 -29.7605 44.6569 PRESSAVG: 3414200 -15.3242 19.3096 15.8284 19.3095 -36.9718 23.3649 15.8285 23.3649 46.5812 GPRESSAVG: 3414200 -16.5481 19.4111 16.3928 19.7266 -35.5863 22.6332 14.4032 22.9196 46.3912 TIMING: 3414200 CPU: 9895.51, 0.0028701/step Wall: 9895.51, 0.0028701/step, 1.26428 hours remaining, 211.890625 MB of memory in use. ENERGY: 3414200 733.6344 2113.1960 1934.2249 109.6854 -205936.1652 17546.9531 0.0000 0.0000 34410.8244 -149087.6471 300.5183 -183498.4715 -148999.5967 299.6666 -112.1314 -79.2973 557777.2637 -1.9050 -1.9144 PRESSURE: 3414400 129.196 -16.8613 -96.847 -16.8616 -264.572 -9.67873 -96.847 -9.67789 -99.6386 GPRESSURE: 3414400 131.185 -19.563 23.994 -109.653 -223.405 -84.4467 -187.865 35.3637 -40.7986 PRESSAVG: 3414400 3.60078 7.24216 5.19312 7.24217 -54.0099 -16.0673 5.19318 -16.0673 61.4714 GPRESSAVG: 3414400 4.94561 6.80631 5.2521 5.06915 -55.3034 -17.016 2.576 -14.0639 61.8162 TIMING: 3414400 CPU: 9896.09, 0.00289691/step Wall: 9896.09, 0.00289691/step, 1.27593 hours remaining, 211.890625 MB of memory in use. ENERGY: 3414400 749.4335 2090.0812 1945.6134 99.7197 -205934.9061 17604.3375 0.0000 0.0000 34202.9762 -149242.7446 298.7031 -183445.7208 -149147.7126 299.7438 -78.3382 -44.3394 557425.2124 3.6874 3.8195 PRESSURE: 3414600 63.1304 27.3628 -79.2994 27.3628 139.004 -9.59392 -79.3007 -9.59336 -50.423 GPRESSURE: 3414600 119.85 -15.1008 -123.603 17.823 102.796 20.6201 -117.459 -13.4991 11.7808 PRESSAVG: 3414600 42.1441 26.5961 -56.5022 26.5962 -16.4729 -10.6868 -56.5022 -10.6868 -24.9406 GPRESSAVG: 3414600 41.8979 26.2686 -57.6509 29.4386 -15.5408 -7.99182 -53.544 -11.0834 -25.336 TIMING: 3414600 CPU: 9896.67, 0.00288313/step Wall: 9896.67, 0.00288313/step, 1.2697 hours remaining, 211.890625 MB of memory in use. ENERGY: 3414600 734.1913 2147.0129 1913.0039 113.9132 -206435.8744 17879.3249 0.0000 0.0000 34377.5168 -149270.9116 300.2274 -183648.4284 -149169.0826 299.4055 50.5704 78.1420 556894.6960 0.2435 0.3403 PRESSURE: 3414800 -119.308 122.933 -35.987 122.933 50.0724 49.5974 -35.9878 49.5953 146.998 GPRESSURE: 3414800 -37.8285 179.129 -102.707 48.8862 117.634 58.5235 3.07071 59.0868 101.544 PRESSAVG: 3414800 7.50838 47.9249 29.4746 47.9249 -9.46474 21.5461 29.4747 21.5461 -9.33706 GPRESSAVG: 3414800 6.60169 47.6149 31.5009 48.8292 -9.58523 20.7472 28.0111 18.1923 -8.43947 TIMING: 3414800 CPU: 9897.25, 0.00287805/step Wall: 9897.25, 0.00287805/step, 1.2673 hours remaining, 211.890625 MB of memory in use. ENERGY: 3414800 726.2590 2040.0697 1954.6732 111.4178 -206671.9846 17943.5421 0.0000 0.0000 34561.2498 -149334.7728 301.8320 -183896.0227 -149235.8683 299.3197 25.9207 60.4499 556221.8075 -3.7645 -3.8077 PRESSURE: 3415000 -38.5796 -48.1654 62.5447 -48.1666 167.148 72.8861 62.5448 72.8862 -123.204 GPRESSURE: 3415000 -0.0849761 -33.4122 71.6955 35.1936 204.628 54.2179 80.282 29.2409 -112.516 PRESSAVG: 3415000 -94.4877 58.5583 0.699593 58.5583 95.5795 19.877 0.699681 19.8771 13.0447 GPRESSAVG: 3415000 -92.6828 60.2614 1.93557 56.9348 95.4098 19.8635 0.630073 20.6218 11.5119 TIMING: 3415000 CPU: 9897.82, 0.00287013/step Wall: 9897.82, 0.00287013/step, 1.26366 hours remaining, 212.144531 MB of memory in use. ENERGY: 3415000 763.9512 2063.4538 1946.3463 105.1019 -206259.2174 17789.8441 0.0000 0.0000 34251.4576 -149339.0624 299.1265 -183590.5200 -149238.8905 299.1525 1.7881 30.6758 555848.7148 4.7122 4.7463 PRESSURE: 3415200 -59.767 -166.919 51.0648 -166.921 -69.6008 128.012 51.0648 128.012 -396.349 GPRESSURE: 3415200 -17.4668 -128.8 -16.621 -211.554 -90.8108 147.762 -9.84847 165.4 -330.18 PRESSAVG: 3415200 6.74933 -4.17239 5.20761 -4.17235 16.704 23.9285 5.20755 23.9285 -7.21862 GPRESSAVG: 3415200 5.911 -5.81329 3.37589 -3.77159 16.7056 23.886 4.67729 24.2113 -5.99351 TIMING: 3415200 CPU: 9898.4, 0.0028782/step Wall: 9898.4, 0.0028782/step, 1.26705 hours remaining, 212.144531 MB of memory in use. ENERGY: 3415200 767.4432 2150.7214 1953.4910 112.4621 -206109.3276 17563.0845 0.0000 0.0000 34262.7917 -149299.3337 299.2255 -183562.1254 -149207.6656 299.2947 -175.2388 -146.1526 557818.0721 5.4116 5.5410 PRESSURE: 3415400 -50.8485 66.5708 -51.6648 66.571 78.2292 -16.2445 -51.6638 -16.2454 27.0779 GPRESSURE: 3415400 4.54292 88.1411 -55.6642 -26.1973 86.7175 -10.142 1.04912 -23.7334 63.9754 PRESSAVG: 3415400 33.5591 -12.3685 45.6622 -12.3684 -12.3834 40.8854 45.6622 40.8855 -20.6688 GPRESSAVG: 3415400 33.6622 -11.1946 45.3872 -10.7419 -12.3978 42.102 47.3859 39.6811 -21.0109 TIMING: 3415400 CPU: 9898.98, 0.00291907/step Wall: 9898.98, 0.00291907/step, 1.28488 hours remaining, 212.144531 MB of memory in use. ENERGY: 3415400 731.7262 2100.0034 1949.5965 110.6690 -206487.4401 17849.5790 0.0000 0.0000 34332.8684 -149412.9976 299.8375 -183745.8660 -149318.3828 299.1954 18.1529 51.7453 556558.1008 0.1689 0.0845 PRESSURE: 3415600 234.169 70.7099 133.469 70.7099 109.919 150.444 133.469 150.445 154.455 GPRESSURE: 3415600 277.462 102.576 108.869 62.9504 151.303 186.611 71.2165 212.091 185.723 PRESSAVG: 3415600 64.8965 -1.87827 23.3005 -1.87837 39.3372 78.8858 23.3005 78.8858 -44.6968 GPRESSAVG: 3415600 64.7725 -0.622232 23.0504 -3.30495 40.1991 76.9132 24.8075 81.1432 -45.0682 TIMING: 3415600 CPU: 9899.55, 0.00287913/step Wall: 9899.55, 0.00287913/step, 1.26714 hours remaining, 212.144531 MB of memory in use. ENERGY: 3415600 755.7726 2083.0323 1937.6106 115.7484 -206569.1259 18038.1879 0.0000 0.0000 34209.1383 -149429.6357 298.7569 -183638.7741 -149330.7043 298.1519 166.1812 204.8290 556274.9325 19.8457 19.9678 PRESSURE: 3415800 34.6873 101.588 59.4264 101.588 35.2052 122.484 59.4264 122.484 -43.4076 GPRESSURE: 3415800 88.7631 160.594 160.451 19.0911 91.2253 149.896 83.4689 178.774 -35.244 PRESSAVG: 3415800 -2.31587 16.5362 7.04288 16.5363 67.7223 70.409 7.04282 70.409 -24.5399 GPRESSAVG: 3415800 -2.19484 15.5706 6.62151 16.7713 65.8358 71.6042 5.13357 68.3482 -22.5203 TIMING: 3415800 CPU: 9900.13, 0.00287991/step Wall: 9900.13, 0.00287991/step, 1.26732 hours remaining, 212.144531 MB of memory in use. ENERGY: 3415800 758.9693 2137.2685 1946.2775 101.4656 -206348.6931 17918.3572 0.0000 0.0000 34072.9159 -149413.4392 297.5672 -183486.3551 -149320.7587 298.3498 8.8283 48.2481 557719.5420 13.6222 13.7069 PRESSURE: 3416000 -153.031 66.6139 -105.223 66.6126 -235.011 87.502 -105.223 87.5024 -346.515 GPRESSURE: 3416000 -127.777 70.6154 -83.4805 203.091 -194.241 28.3074 -218.48 59.1244 -315.936 PRESSAVG: 3416000 -22.9102 -18.2872 -38.4535 -18.2872 52.4168 49.655 -38.4535 49.655 -18.3501 GPRESSAVG: 3416000 -21.5816 -19.3267 -38.1952 -16.4177 53.0456 49.0534 -38.9216 49.733 -20.2505 TIMING: 3416000 CPU: 9900.71, 0.00288051/step Wall: 9900.71, 0.00288051/step, 1.26742 hours remaining, 212.144531 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: 3416000 775.7292 2115.9224 1938.9821 117.7100 -206168.3992 17522.3794 0.0000 0.0000 34083.2323 -149614.4437 297.6573 -183697.6760 -149517.5820 298.5660 -244.8521 -212.6515 557817.1515 3.7189 3.7378 PRESSURE: 3416200 326.001 -50.1891 49.1607 -50.1905 193.301 -136.798 49.1609 -136.797 196.6 GPRESSURE: 3416200 376.051 -45.8232 67.0209 -10.4428 196.007 -131.779 32.9906 -174.057 242.24 PRESSAVG: 3416200 84.7676 -8.12861 55.5327 -8.12862 -39.7313 -0.885742 55.5327 -0.88572 -29.0975 GPRESSAVG: 3416200 83.9521 -6.23006 55.9041 -11.8675 -38.8429 -0.617449 54.9518 -1.28752 -29.2262 TIMING: 3416200 CPU: 9901.29, 0.00291313/step Wall: 9901.29, 0.00291313/step, 1.28161 hours remaining, 212.144531 MB of memory in use. ENERGY: 3416200 706.8443 2062.8903 1973.2011 118.6563 -206789.3703 18087.2883 0.0000 0.0000 34074.1685 -149766.3215 297.5782 -183840.4900 -149669.6079 297.3615 238.6340 271.4326 556137.5780 5.3130 5.2944 LDB: ============= START OF LOAD BALANCING ============== 9904.67 LDB: ============== END OF LOAD BALANCING =============== 9904.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9904.68 LDB: ============= START OF LOAD BALANCING ============== 9904.97 LDB: Largest compute 4772 load 0.025218 is 21.4% of average load 0.117941 LDB: Average compute 0.001716 is 1.5% of average load 0.117941 LDB: TIME 9904.97 LOAD: AVG 0.117941 MAX 0.180453 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 9904.97 LOAD: AVG 0.117941 MAX 0.180453 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.633 MB LDB: TIME 9904.97 LOAD: AVG 0.117941 MAX 0.180453 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.633 MB LDB: ============== END OF LOAD BALANCING =============== 9904.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9904.97 PRESSURE: 3416400 -241.509 148.921 -45.8957 148.921 -42.3793 106.823 -45.8955 106.823 85.8773 GPRESSURE: 3416400 -192.013 47.9027 75.7936 150.099 10.4532 110.08 26.5253 89.9725 81.5188 PRESSAVG: 3416400 36.428 -24.0134 13.6856 -24.0133 -38.322 -10.4188 13.6856 -10.4188 18.1628 GPRESSAVG: 3416400 35.6908 -24.3207 14.993 -21.765 -37.9523 -11.4738 14.3002 -8.2931 18.7739 TIMING: 3416400 CPU: 9901.88, 0.00294065/step Wall: 9901.88, 0.00294065/step, 1.29356 hours remaining, 209.824219 MB of memory in use. ENERGY: 3416400 742.4930 2113.3470 1971.6095 108.1768 -206343.9010 17839.2459 0.0000 0.0000 34016.8415 -149552.1872 297.0775 -183569.0288 -149464.5591 297.8848 -66.0037 -33.3469 557456.0540 5.4229 5.5041 PRESSURE: 3416600 -13.4731 -13.7088 -66.0245 -13.7089 20.2713 58.3261 -66.0234 58.3244 98.2212 GPRESSURE: 3416600 -24.1725 -53.388 -125.067 79.1839 71.5072 12.7902 -76.8439 41.9483 148.452 PRESSAVG: 3416600 21.3715 9.27295 -24.9137 9.2729 -28.737 -31.813 -24.9137 -31.8131 13.2393 GPRESSAVG: 3416600 21.7903 8.4741 -24.6472 8.95545 -29.1641 -31.5282 -23.938 -31.2988 13.7968 TIMING: 3416600 CPU: 9902.46, 0.00289448/step Wall: 9902.46, 0.00289448/step, 1.27309 hours remaining, 209.824219 MB of memory in use. ENERGY: 3416600 773.5409 2091.4769 1946.2188 111.5852 -206691.5287 17948.6729 0.0000 0.0000 34247.7783 -149572.2556 299.0944 -183820.0340 -149472.9136 298.0686 35.0064 65.2622 557107.9297 1.9580 2.1410 PRESSURE: 3416800 44.2236 -29.4328 -125.356 -29.4319 52.9571 9.05857 -125.357 9.05974 86.1055 GPRESSURE: 3416800 42.8994 21.9933 -31.5717 -65.9733 83.2064 25.6245 -176.41 0.109359 145.217 PRESSAVG: 3416800 4.67353 54.9737 -34.5223 54.9737 -5.36608 25.1146 -34.5223 25.1146 2.34396 GPRESSAVG: 3416800 3.97259 55.2825 -35.3387 54.4339 -5.45373 26.2877 -33.6042 22.4865 2.92137 TIMING: 3416800 CPU: 9903.03, 0.00288253/step Wall: 9903.03, 0.00288253/step, 1.26767 hours remaining, 209.824219 MB of memory in use. ENERGY: 3416800 740.4921 2077.4949 1972.6907 109.4771 -206323.7858 17860.0061 0.0000 0.0000 34099.1534 -149464.4716 297.7964 -183563.6249 -149366.6429 297.8421 61.0954 90.4409 557801.6809 0.5505 0.4801 PRESSURE: 3417000 -171.338 12.3122 60.4685 12.3127 -73.2422 30.9793 60.468 30.9794 -116.563 GPRESSURE: 3417000 -157.913 47.482 39.1101 14.3268 -4.40633 53.162 89.103 70.527 -86.7305 PRESSAVG: 3417000 -14.2849 25.6499 13.236 25.6498 51.0522 -5.03187 13.236 -5.03183 13.4027 GPRESSAVG: 3417000 -13.5123 25.4873 14.934 26.2511 51.3974 -6.56032 12.9907 -3.28512 12.6027 TIMING: 3417000 CPU: 9903.61, 0.00289329/step Wall: 9903.61, 0.00289329/step, 1.27224 hours remaining, 209.824219 MB of memory in use. ENERGY: 3417000 730.2743 2114.8299 1972.9433 119.2780 -206252.4825 17545.1381 0.0000 0.0000 34235.5105 -149534.5084 298.9872 -183770.0189 -149436.3813 298.2396 -120.3811 -83.0167 557103.1173 16.7233 16.8292 PRESSURE: 3417200 -103.911 8.19612 -37.1266 8.1967 -158.679 75.664 -37.1263 75.6644 -93.3515 GPRESSURE: 3417200 -28.6386 -31.3571 21.1675 50.2438 -127.663 51.7362 -115.954 130.917 -113.546 PRESSAVG: 3417200 -31.484 93.6317 22.4121 93.6317 17.772 -27.5461 22.412 -27.5461 28.0572 GPRESSAVG: 3417200 -31.6119 92.607 21.8322 94.0676 16.5124 -27.1473 22.5046 -25.7728 28.7877 TIMING: 3417200 CPU: 9904.19, 0.00288805/step Wall: 9904.19, 0.00288805/step, 1.26978 hours remaining, 209.824219 MB of memory in use. ENERGY: 3417200 747.5927 2063.4792 1953.0964 118.4201 -206128.1865 17600.1909 0.0000 0.0000 34216.3967 -149429.0105 298.8203 -183645.4072 -149330.7617 298.3951 -118.6473 -89.9493 557205.8876 4.7817 4.5628 PRESSURE: 3417400 10.5409 10.7604 -91.3655 10.7603 43.9909 35.0637 -91.366 35.0637 16.3548 GPRESSURE: 3417400 52.8461 -8.72104 3.63447 49.4826 40.1621 30.3939 -169.49 137.161 64.2044 PRESSAVG: 3417400 -30.5666 -41.9563 -47.0487 -41.9563 32.8296 -5.16845 -47.0487 -5.1685 -58.3703 GPRESSAVG: 3417400 -29.5103 -41.9144 -48.2541 -40.6609 32.017 -6.64142 -47.7147 -5.20711 -58.6304 TIMING: 3417400 CPU: 9904.77, 0.00291661/step Wall: 9904.77, 0.00291661/step, 1.28217 hours remaining, 209.824219 MB of memory in use. ENERGY: 3417400 772.2803 2071.5910 1951.6234 117.0289 -206491.1431 18018.5171 0.0000 0.0000 34202.0251 -149358.0772 298.6948 -183560.1024 -149260.2862 298.8677 23.6289 52.4042 558317.5948 -18.7025 -18.7079 PRESSURE: 3417600 197.54 -14.0398 165.107 -14.0395 248.012 87.4 165.109 87.3992 -382.039 GPRESSURE: 3417600 266.391 -13.7959 203.084 55.2008 287.767 115.507 100.22 84.6421 -387.253 PRESSAVG: 3417600 51.4508 35.7502 17.0083 35.7503 10.7045 7.09472 17.0084 7.09471 -55.6842 GPRESSAVG: 3417600 50.5571 35.4942 19.1166 36.5917 11.0461 6.66437 17.2898 5.54052 -55.1465 TIMING: 3417600 CPU: 9905.35, 0.00290547/step Wall: 9905.35, 0.00290547/step, 1.27711 hours remaining, 209.824219 MB of memory in use. ENERGY: 3417600 807.8391 2070.3832 1956.3732 121.8515 -206481.4882 18075.9985 0.0000 0.0000 34031.4828 -149417.5597 297.2054 -183449.0425 -149319.5424 298.6219 21.1712 55.6352 556609.6526 2.1570 2.1523 PRESSURE: 3417800 169.536 -70.8176 62.2127 -70.8174 346.95 -89.9682 62.2126 -89.9676 395.296 GPRESSURE: 3417800 185.908 -111.126 -34.7778 6.61006 385.357 -44.1101 105.481 -116.709 445.736 PRESSAVG: 3417800 -28.1545 -30.1267 11.7279 -30.1267 9.48325 27.0767 11.7279 27.0767 19.7241 GPRESSAVG: 3417800 -28.136 -29.9329 8.11868 -29.3186 9.17498 28.3691 12.8325 27.2338 19.5243 TIMING: 3417800 CPU: 9905.93, 0.00288001/step Wall: 9905.93, 0.00288001/step, 1.26576 hours remaining, 209.824219 MB of memory in use. ENERGY: 3417800 753.5517 2052.1976 1932.1316 119.0011 -206443.1938 18081.3050 0.0000 0.0000 34172.5721 -149332.4346 298.4376 -183505.0067 -149244.0027 298.2444 303.9272 339.0001 555747.9714 0.3510 0.1877 PRESSURE: 3418000 182.556 -109.228 -138.561 -109.229 -132.804 19.0746 -138.561 19.0758 -282.468 GPRESSURE: 3418000 247.427 -95.0573 -120.18 -80.3563 -63.8889 27.2209 -98.7972 16.5022 -312.201 PRESSAVG: 3418000 14.51 36.557 6.05479 36.557 -11.2859 33.3137 6.05482 33.3137 27.1558 GPRESSAVG: 3418000 15.2681 37.8208 7.2469 34.4172 -11.3914 33.9319 6.86257 31.0804 26.0401 TIMING: 3418000 CPU: 9906.51, 0.00289805/step Wall: 9906.51, 0.00289805/step, 1.27353 hours remaining, 209.824219 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: 3418000 748.4499 2092.3815 1944.8105 110.5914 -205864.4467 17676.0236 0.0000 0.0000 34051.9107 -149240.2791 297.3838 -183292.1898 -149139.7746 299.1087 -77.5718 -42.8875 556876.9996 10.1266 9.9723 PRESSURE: 3418200 -163.532 118.524 -227.831 118.525 -89.7151 -233.372 -227.832 -233.372 -209.877 GPRESSURE: 3418200 -116.866 58.9638 -265.025 172.669 -58.5575 -187.705 -250.589 -173.826 -186.13 PRESSAVG: 3418200 14.2245 50.3556 -62.2663 50.3556 56.6172 -32.0428 -62.2663 -32.0427 -40.2229 GPRESSAVG: 3418200 14.0064 48.9502 -59.9371 48.7748 58.1131 -34.0049 -64.9769 -28.8688 -40.8631 TIMING: 3418200 CPU: 9907.09, 0.00290595/step Wall: 9907.09, 0.00290595/step, 1.27684 hours remaining, 209.824219 MB of memory in use. ENERGY: 3418200 758.1622 2122.1754 1959.9104 118.1076 -206066.9448 17539.1061 0.0000 0.0000 34394.4638 -149175.0194 300.3754 -183569.4831 -149079.1018 299.5807 -154.3748 -120.5180 557309.3381 10.2063 10.4188 PRESSURE: 3418400 112.073 -93.6944 42.5412 -93.6944 144.34 -41.1767 42.5407 -41.1751 28.6845 GPRESSURE: 3418400 180.126 -69.8257 -15.2436 -50.3456 213.581 17.2781 184.922 -24.7677 -18.6534 PRESSAVG: 3418400 15.1559 -40.6604 21.7545 -40.6603 -37.5332 -49.8381 21.7545 -49.8381 -17.1655 GPRESSAVG: 3418400 14.8706 -39.8793 19.9654 -40.0689 -38.5718 -48.564 23.9591 -52.1564 -15.5848 TIMING: 3418400 CPU: 9907.67, 0.00287733/step Wall: 9907.67, 0.00287733/step, 1.26411 hours remaining, 209.824219 MB of memory in use. ENERGY: 3418400 743.0267 2088.4188 1983.2442 110.5249 -206664.1821 18066.1912 0.0000 0.0000 34477.5813 -149195.1950 301.1013 -183672.7763 -149089.7895 299.7254 95.0324 125.0178 558076.6693 -13.1809 -13.0953 PRESSURE: 3418600 76.4676 -118.327 92.27 -118.328 -246.23 -56.4075 92.2704 -56.4074 228.791 GPRESSURE: 3418600 59.547 -143.608 180.712 -57.5125 -191.603 16.0025 12.3877 -76.4939 294.652 PRESSAVG: 3418600 -9.29888 24.127 -22.9706 24.1269 -28.7599 26.6132 -22.9707 26.6132 18.5967 GPRESSAVG: 3418600 -9.41398 25.2365 -22.215 22.9563 -29.0844 24.8707 -24.1553 28.096 19.3077 TIMING: 3418600 CPU: 9908.24, 0.00287688/step Wall: 9908.24, 0.00287688/step, 1.26375 hours remaining, 209.824219 MB of memory in use. ENERGY: 3418600 771.0679 2106.5763 1956.0822 120.1787 -206065.2533 17897.6023 0.0000 0.0000 33896.3725 -149317.3735 296.0255 -183213.7460 -149225.9087 298.6880 19.6763 54.1986 557407.3348 -6.4873 -6.3969 PRESSURE: 3418800 -151.41 5.95046 37.1554 5.9515 -74.2924 -1.33202 37.1536 -1.33202 63.0135 GPRESSURE: 3418800 -86.8586 -5.51302 104.651 11.5597 -98.9265 -76.6054 72.9517 10.6933 126.459 PRESSAVG: 3418800 -54.5414 -1.24661 19.0789 -1.2466 -16.4219 23.8613 19.0788 23.8613 71.857 GPRESSAVG: 3418800 -53.7016 -1.48396 20.023 -0.319611 -16.4718 23.0244 17.1927 22.182 71.0048 TIMING: 3418800 CPU: 9908.82, 0.00290644/step Wall: 9908.82, 0.00290644/step, 1.27657 hours remaining, 209.824219 MB of memory in use. ENERGY: 3418800 760.3190 2154.1570 1949.8643 117.3581 -206043.6039 17643.9716 0.0000 0.0000 34170.9646 -149246.9692 298.4235 -183417.9339 -149157.0379 299.2746 -54.2297 -19.7755 556701.1839 0.2979 0.2771 PRESSURE: 3419000 -260.211 -25.7165 -13.8124 -25.7159 134.203 58.901 -13.8118 58.8993 260.31 GPRESSURE: 3419000 -248.266 -25.9627 20.0225 -71.1349 174.261 20.6498 48.5734 128.339 317.558 PRESSAVG: 3419000 -7.26232 -23.7536 -0.173045 -23.7536 -73.2644 40.9352 -0.173118 40.9352 50.1007 GPRESSAVG: 3419000 -7.8502 -23.4352 -0.637662 -21.5006 -72.7469 42.7355 2.74358 41.7823 50.7517 TIMING: 3419000 CPU: 9909.41, 0.00293663/step Wall: 9909.41, 0.00293663/step, 1.28967 hours remaining, 209.824219 MB of memory in use. ENERGY: 3419000 723.1416 2072.3704 1940.1843 117.6214 -206145.1185 17686.1452 0.0000 0.0000 34385.7886 -149219.8671 300.2996 -183605.6556 -149122.8030 299.6430 44.7672 81.1842 557969.2241 -10.1420 -9.9485 PRESSURE: 3419200 -88.6193 109.682 -106.285 109.682 113.021 119.801 -106.285 119.803 67.6841 GPRESSURE: 3419200 -56.6245 181.339 -66.9446 17.6517 182.01 77.4367 -195.296 109.729 66.7245 PRESSAVG: 3419200 18.7676 11.3891 24.8464 11.3893 -66.8779 -4.75858 24.8464 -4.75849 32.8041 GPRESSAVG: 3419200 19.1318 12.8063 24.9832 7.02225 -68.2404 -3.95409 23.9153 -4.99075 33.5398 TIMING: 3419200 CPU: 9909.99, 0.00291352/step Wall: 9909.99, 0.00291352/step, 1.27936 hours remaining, 209.824219 MB of memory in use. ENERGY: 3419200 747.0708 2077.5927 1920.0294 114.1399 -206172.0866 17844.1332 0.0000 0.0000 34181.0263 -149288.0942 298.5114 -183469.1205 -149197.2518 299.0995 30.6952 64.0365 557037.6598 -5.1021 -5.1896 PRESSURE: 3419400 -75.2697 -15.6476 36.4174 -15.6479 32.4548 102.187 36.4193 102.187 -215.292 GPRESSURE: 3419400 -60.7377 -14.6804 -42.6324 -49.0455 23.7933 163.598 99.0424 136.262 -138.641 PRESSAVG: 3419400 -47.5035 61.1372 31.6275 61.1371 30.6887 -26.9969 31.6275 -26.997 37.5592 GPRESSAVG: 3419400 -48.324 55.9664 29.7544 65.5786 32.1749 -29.1233 33.634 -24.6861 36.8819 TIMING: 3419400 CPU: 9910.57, 0.00289967/step Wall: 9910.57, 0.00289967/step, 1.27312 hours remaining, 209.824219 MB of memory in use. ENERGY: 3419400 756.7517 2070.3645 1974.1047 107.9568 -205787.2670 17592.0088 0.0000 0.0000 34101.8230 -149184.2576 297.8197 -183286.0806 -149083.7062 298.9721 -86.0355 -58.5283 558854.1383 6.9148 6.9109 PRESSURE: 3419600 118.796 -56.3149 183.12 -56.3141 287.556 -153.627 183.122 -153.626 115.756 GPRESSURE: 3419600 189.001 -31.5514 30.0302 -112.66 251.62 -136.893 238.327 -123.181 171.884 PRESSAVG: 3419600 13.1489 -5.95539 -17.6227 -5.95536 25.1452 22.3777 -17.6228 22.3777 -52.8818 GPRESSAVG: 3419600 12.1689 -1.21719 -15.2173 -9.98578 26.6211 24.1112 -18.0122 21.7801 -53.047 TIMING: 3419600 CPU: 9911.15, 0.00288573/step Wall: 9911.15, 0.00288573/step, 1.26683 hours remaining, 209.824219 MB of memory in use. ENERGY: 3419600 732.4827 2130.3420 1977.2383 116.9781 -206235.7453 17975.1397 0.0000 0.0000 34168.9687 -149134.5958 298.4061 -183303.5645 -149040.7107 299.0449 174.0360 204.1684 557183.1845 -4.8626 -4.7523 PRESSURE: 3419800 137.859 -1.14682 90.4056 -1.14787 -209.941 145.717 90.406 145.716 -44.0763 GPRESSURE: 3419800 169.16 66.503 -27.6944 58.8694 -170.688 166.531 68.8737 147.535 -12.3385 PRESSAVG: 3419800 -14.309 42.2505 23.0453 42.2505 8.24665 -2.53317 23.0454 -2.53313 21.5352 GPRESSAVG: 3419800 -13.8857 40.5232 21.0362 45.2631 8.14907 -2.07082 22.3569 -3.3681 21.2529 TIMING: 3419800 CPU: 9911.73, 0.00288645/step Wall: 9911.73, 0.00288645/step, 1.26699 hours remaining, 210.027344 MB of memory in use. ENERGY: 3419800 773.1618 2096.3798 1979.9683 114.8047 -206178.6403 17846.9388 0.0000 0.0000 34140.6605 -149226.7264 298.1589 -183367.3869 -149130.9271 298.9265 -38.7194 -4.6223 558708.2877 5.1576 5.1721 PRESSURE: 3420000 -260.544 3.18351 41.6866 3.1822 -207.262 -271.01 41.6842 -271.008 -262.775 GPRESSURE: 3420000 -268.829 -13.5726 115.123 -56.5338 -128.501 -168.305 32.3479 -245.406 -238.726 PRESSAVG: 3420000 23.4287 -11.4645 -41.1425 -11.4645 -19.4229 -10.4979 -41.1427 -10.4978 3.75764 GPRESSAVG: 3420000 23.2218 -12.9055 -39.7061 -13.0924 -19.554 -10.9336 -39.6572 -10.4066 4.62257 TIMING: 3420000 CPU: 9912.31, 0.00290329/step Wall: 9912.31, 0.00290329/step, 1.27422 hours remaining, 210.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3420000 796.2501 2096.6798 1964.3263 111.6899 -205896.2607 17571.9640 0.0000 0.0000 34085.6403 -149269.7104 297.6784 -183355.3506 -149173.4156 298.7993 -243.5269 -212.0185 558940.0945 2.5878 2.7635 PRESSURE: 3420200 -47.2834 131.09 142.586 131.09 290.789 230.869 142.587 230.869 -52.8522 GPRESSURE: 3420200 -4.98622 190.172 151.979 23.9023 312.177 208.867 119.457 159.573 -26.0396 PRESSAVG: 3420200 20.8302 -44.5929 14.3584 -44.5929 -13.7454 -16.1853 14.3584 -16.1852 5.66027 GPRESSAVG: 3420200 23.7144 -43.2207 14.4549 -43.6463 -14.7978 -15.4357 12.1832 -16.3957 4.04249 TIMING: 3420200 CPU: 9912.89, 0.00288888/step Wall: 9912.89, 0.00288888/step, 1.26773 hours remaining, 210.027344 MB of memory in use. ENERGY: 3420200 733.6135 2049.0854 1971.7113 121.6275 -206497.1814 18012.7243 0.0000 0.0000 34164.9069 -149443.5126 298.3706 -183608.4195 -149356.3526 298.4611 63.5511 93.7170 557591.0481 4.2484 4.3197 LDB: ============= START OF LOAD BALANCING ============== 9916.28 LDB: ============== END OF LOAD BALANCING =============== 9916.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9916.28 LDB: ============= START OF LOAD BALANCING ============== 9916.57 LDB: Largest compute 4792 load 0.025795 is 21.9% of average load 0.117971 LDB: Average compute 0.001718 is 1.5% of average load 0.117971 LDB: TIME 9916.57 LOAD: AVG 0.117971 MAX 0.180328 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.852 MB LDB: TIME 9916.57 LOAD: AVG 0.117971 MAX 0.180328 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.914 MB LDB: TIME 9916.57 LOAD: AVG 0.117971 MAX 0.180328 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9916.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9916.58 PRESSURE: 3420400 -11.3059 -3.98964 -112.215 -3.99001 28.3887 -53.5212 -112.214 -53.5204 -205.849 GPRESSURE: 3420400 71.3621 -23.5167 -116.044 -30.6855 5.27471 40.0851 -85.8453 -65.7698 -165.942 PRESSAVG: 3420400 47.1693 36.8201 -40.877 36.8201 -39.3618 -16.5388 -40.877 -16.5387 -24.2643 GPRESSAVG: 3420400 46.653 35.513 -42.8128 35.8112 -38.3423 -17.9417 -38.508 -15.4512 -24.2222 TIMING: 3420400 CPU: 9913.48, 0.00298753/step Wall: 9913.48, 0.00298753/step, 1.31086 hours remaining, 210.414062 MB of memory in use. ENERGY: 3420400 731.0800 2127.7659 1938.5788 104.1574 -206478.8020 17831.5060 0.0000 0.0000 34314.3245 -149431.3894 299.6755 -183745.7138 -149326.9902 298.4670 -62.9221 -29.7685 557640.9440 -5.4856 -5.3038 PRESSURE: 3420600 -32.0161 -93.5734 -20.9879 -93.5729 -12.1801 -11.2378 -20.9879 -11.2363 -208.287 GPRESSURE: 3420600 -31.4577 -97.8611 -67.0894 -9.89841 56.9273 57.5895 2.25764 -99.9529 -169.727 PRESSAVG: 3420600 -0.230304 12.6696 -56.9134 12.6695 17.9575 -34.7194 -56.9133 -34.7194 -4.38088 GPRESSAVG: 3420600 -1.88623 15.6215 -55.528 11.597 17.8243 -34.6829 -59.4321 -36.9555 -2.88566 TIMING: 3420600 CPU: 9914.06, 0.00289257/step Wall: 9914.06, 0.00289257/step, 1.26904 hours remaining, 210.414062 MB of memory in use. ENERGY: 3420600 759.7351 2049.3738 1947.0611 111.1146 -206166.0307 17732.7800 0.0000 0.0000 34305.9392 -149260.0270 299.6023 -183565.9661 -149167.2182 298.9169 -84.1610 -48.0858 558773.5747 4.4488 4.3508 PRESSURE: 3420800 -183.403 10.4707 -186.008 10.4713 -55.8268 -70.4373 -186.008 -70.4367 -297.603 GPRESSURE: 3420800 -97.4778 0.608429 -212.153 4.02032 -35.2105 -98.8304 -95.1207 -101.541 -294.236 PRESSAVG: 3420800 19.9479 -2.46041 -24.3102 -2.46038 14.4464 -6.94917 -24.3102 -6.94908 -11.9929 GPRESSAVG: 3420800 19.9655 -2.79477 -25.944 -0.889896 14.821 -9.28531 -22.576 -4.02664 -12.3447 TIMING: 3420800 CPU: 9914.64, 0.00291382/step Wall: 9914.64, 0.00291382/step, 1.2782 hours remaining, 210.414062 MB of memory in use. ENERGY: 3420800 738.6503 2066.6358 1951.3652 108.6104 -205936.0867 17681.4478 0.0000 0.0000 34388.4745 -149000.9027 300.3231 -183389.3772 -148898.5977 299.8828 -178.9444 -142.3080 559809.4711 7.4671 7.4806 PRESSURE: 3421000 -383.343 -2.76451 -23.6587 -2.76356 249.804 69.1899 -23.6571 69.1904 -29.4931 GPRESSURE: 3421000 -363.431 16.8877 24.7804 -12.4568 303.679 -20.5029 13.9546 37.4926 -12.1238 PRESSAVG: 3421000 -62.8045 27.0998 -51.5205 27.0998 19.5526 13.4748 -51.5203 13.4749 -8.27237 GPRESSAVG: 3421000 -62.0394 25.307 -49.6089 28.3153 19.2693 12.3136 -51.9833 12.6784 -7.99847 TIMING: 3421000 CPU: 9915.23, 0.00291115/step Wall: 9915.23, 0.00291115/step, 1.27686 hours remaining, 210.414062 MB of memory in use. ENERGY: 3421000 754.4766 2148.2880 1939.9738 117.4280 -206083.3065 17807.7193 0.0000 0.0000 34244.1730 -149071.2478 299.0629 -183315.4208 -148972.9346 299.9721 -54.3439 -23.9586 558938.0011 -17.1748 -16.9229 PRESSURE: 3421200 75.3431 -188.626 138.453 -188.626 -18.4045 8.19598 138.453 8.19701 165.735 GPRESSURE: 3421200 76.9856 -210.313 93.9553 -133.592 44.0439 -33.9842 179.99 100.464 211.01 PRESSAVG: 3421200 24.6302 17.9047 -29.3039 17.9046 -10.266 17.7865 -29.3039 17.7864 -25.6417 GPRESSAVG: 3421200 24.0421 17.4999 -30.164 17.6991 -10.1895 22.0046 -28.882 19.1208 -25.3704 TIMING: 3421200 CPU: 9915.81, 0.00291268/step Wall: 9915.81, 0.00291268/step, 1.27737 hours remaining, 210.414062 MB of memory in use. ENERGY: 3421200 739.5060 2027.1101 1957.4663 101.8915 -206120.5499 17791.5301 0.0000 0.0000 34316.4822 -149186.5635 299.6944 -183503.0458 -149081.4466 299.0313 74.2245 110.6799 556833.3117 -3.7592 -3.8393 PRESSURE: 3421400 7.41418 -80.4877 131.846 -80.4875 -47.8763 -95.9968 131.847 -95.9977 -3.07496 GPRESSURE: 3421400 20.6186 -6.08423 49.9113 -154.205 -4.71164 -134.451 216.696 -165.254 38.3188 PRESSAVG: 3421400 31.2411 -14.4849 -0.237508 -14.4849 23.7849 -45.3101 -0.237481 -45.3102 -64.7786 GPRESSAVG: 3421400 32.2804 -14.1988 -0.47928 -14.3796 23.6281 -45.9887 -1.16722 -48.2023 -65.5548 TIMING: 3421400 CPU: 9916.39, 0.00289975/step Wall: 9916.39, 0.00289975/step, 1.27154 hours remaining, 210.414062 MB of memory in use. ENERGY: 3421400 735.7513 2059.5609 1935.4720 113.9557 -206332.0855 17850.5889 0.0000 0.0000 34353.2414 -149283.5152 300.0154 -183636.7566 -149194.9239 298.7514 -14.5124 18.0752 557952.7143 -3.2508 -3.2154 PRESSURE: 3421600 174.715 4.35122 17.0569 4.35257 -139.796 74.7529 17.0582 74.7523 -106.835 GPRESSURE: 3421600 182.927 -11.3326 75.7462 -13.0836 -72.2157 16.3813 -5.57786 25.2107 -87.7459 PRESSAVG: 3421600 -20.5358 12.1537 50.6703 12.1536 6.55788 42.8054 50.6703 42.8054 -33.1671 GPRESSAVG: 3421600 -21.4714 10.7008 50.4937 13.2301 7.06611 43.0184 50.2524 42.5189 -33.0316 TIMING: 3421600 CPU: 9916.97, 0.00291393/step Wall: 9916.97, 0.00291393/step, 1.2776 hours remaining, 210.414062 MB of memory in use. ENERGY: 3421600 745.4408 2034.5830 1943.8808 106.2344 -206198.8233 17900.7600 0.0000 0.0000 34070.8722 -149397.0521 297.5494 -183467.9243 -149300.2486 298.6318 -23.9718 7.6552 556371.4910 -15.7150 -15.8123 PRESSURE: 3421800 -35.4947 41.6027 -138.989 41.6013 -230.652 64.2633 -138.989 64.2642 -109.602 GPRESSURE: 3421800 -14.1979 120.45 -68.0095 15.757 -193.363 60.1826 -131.666 0.917095 -56.4304 PRESSAVG: 3421800 65.0706 48.527 39.871 48.5271 19.4245 41.975 39.8711 41.9748 -73.7906 GPRESSAVG: 3421800 64.5257 48.4487 38.9417 48.2315 18.1967 40.6073 40.8969 42.1604 -72.6648 TIMING: 3421800 CPU: 9917.56, 0.00292689/step Wall: 9917.56, 0.00292689/step, 1.28312 hours remaining, 210.414062 MB of memory in use. ENERGY: 3421800 718.7188 2052.3612 1910.2649 99.1059 -206144.0132 17608.8473 0.0000 0.0000 34286.1830 -149468.5321 299.4298 -183754.7151 -149370.3631 298.2415 -125.2495 -87.9970 556435.2569 3.5682 3.3525 PRESSURE: 3422000 128.232 -10.5256 -13.7749 -10.5251 32.875 -119.188 -13.7743 -119.189 9.88033 GPRESSURE: 3422000 153.308 -131.696 -14.2034 41.6712 101.795 -127.689 26.327 -136.76 30.6152 PRESSAVG: 3422000 34.3259 14.5956 20.9904 14.5957 -47.7779 27.0761 20.9904 27.0761 28.5096 GPRESSAVG: 3422000 35.5927 16.2218 21.1176 14.2126 -47.4455 27.4602 20.1679 26.9312 26.7703 TIMING: 3422000 CPU: 9918.14, 0.00290365/step Wall: 9918.14, 0.00290365/step, 1.27276 hours remaining, 210.414062 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: 3422000 721.0613 2018.0577 1930.5374 109.2508 -206114.3029 17833.5527 0.0000 0.0000 34077.3663 -149424.4767 297.6061 -183501.8430 -149327.4144 298.7410 56.9958 95.2395 558169.1452 5.0192 4.9725 PRESSURE: 3422200 -160.002 0.802975 -95.7093 0.80311 89.5862 -81.6552 -95.7091 -81.6554 108.111 GPRESSURE: 3422200 -93.2617 -52.915 -82.072 -32.9736 113.523 -48.9325 -29.3303 -60.1332 116.749 PRESSAVG: 3422200 100.546 -47.4235 -2.92093 -47.4234 -59.7474 -1.45678 -2.92095 -1.45682 -69.2178 GPRESSAVG: 3422200 99.8734 -48.8928 -0.885637 -47.088 -59.0061 -1.937 -5.82866 -0.265749 -69.0729 TIMING: 3422200 CPU: 9918.72, 0.00290961/step Wall: 9918.72, 0.00290961/step, 1.27522 hours remaining, 210.414062 MB of memory in use. ENERGY: 3422200 707.2342 2058.9307 1938.2363 112.2163 -206303.8433 17900.6456 0.0000 0.0000 34245.5574 -149341.0227 299.0750 -183586.5802 -149240.1168 299.0282 12.5650 45.6700 559328.5463 -9.4730 -9.4019 PRESSURE: 3422400 261.857 75.8709 -11.5341 75.8712 327.708 -1.91291 -11.5334 -1.91173 81.3953 GPRESSURE: 3422400 251.565 74.7686 79.2776 161.485 402.738 8.42652 -89.961 40.2369 109.321 PRESSAVG: 3422400 101.274 -4.2926 -39.8011 -4.29274 -76.8657 25.7501 -39.8011 25.7501 -62.051 GPRESSAVG: 3422400 101.339 -4.52083 -40.8716 -4.71568 -77.5772 24.107 -37.5359 26.2217 -61.0812 TIMING: 3422400 CPU: 9919.3, 0.00288461/step Wall: 9919.3, 0.00288461/step, 1.2641 hours remaining, 210.414062 MB of memory in use. ENERGY: 3422400 707.8400 2102.1859 1948.9326 122.3184 -206713.7159 18244.8462 0.0000 0.0000 34295.9493 -149291.6436 299.5151 -183587.5929 -149197.6920 299.1382 223.6534 254.5414 557380.2135 -12.5476 -12.4397 PRESSURE: 3422600 186.009 -32.5658 -6.00592 -32.5656 -61.8374 51.9793 -6.00601 51.9797 -246.778 GPRESSURE: 3422600 182.185 -49.0013 20.0105 3.05861 43.092 112.502 -43.56 22.8416 -252.369 PRESSAVG: 3422600 -3.54875 22.755 -27.7852 22.755 -14.9327 7.86634 -27.7852 7.86628 57.0891 GPRESSAVG: 3422600 -3.8492 23.7351 -28.1016 22.8965 -14.7718 8.13041 -28.5238 8.16449 57.5147 TIMING: 3422600 CPU: 9919.88, 0.00289573/step Wall: 9919.88, 0.00289573/step, 1.26881 hours remaining, 210.414062 MB of memory in use. ENERGY: 3422600 764.1611 2030.5087 1929.1176 106.0531 -206046.2955 17651.4382 0.0000 0.0000 34329.8509 -149235.1659 299.8111 -183565.0168 -149140.8780 300.1479 -40.8690 -9.0308 556475.1294 12.8692 12.9646 PRESSURE: 3422800 -35.6845 40.6445 -346.07 40.6472 -108.865 -87.4724 -346.07 -87.4719 206.272 GPRESSURE: 3422800 46.8903 29.3565 -343.157 53.0679 -79.6915 -107.848 -270.74 -109.581 189.111 PRESSAVG: 3422800 13.9883 21.216 -78.4604 21.2161 18.7895 33.9365 -78.4603 33.9366 3.22098 GPRESSAVG: 3422800 15.0155 21.2151 -75.4543 21.0564 17.4557 33.1019 -79.842 33.0323 3.0429 TIMING: 3422800 CPU: 9920.45, 0.00288629/step Wall: 9920.45, 0.00288629/step, 1.26452 hours remaining, 210.414062 MB of memory in use. ENERGY: 3422800 753.8344 2052.1089 1937.5747 124.3227 -205873.6134 17860.3675 0.0000 0.0000 34248.1394 -148897.2658 299.0975 -183145.4051 -148803.8392 299.3971 20.5742 52.1033 558674.8278 11.9996 11.8380 PRESSURE: 3423000 -66.1499 86.9785 -18.4079 86.9788 19.9099 -72.222 -18.4096 -72.2209 -290.714 GPRESSURE: 3423000 -47.3849 90.9532 -12.6183 105.858 88.6228 1.65294 -5.8134 -74.3565 -271.567 PRESSAVG: 3423000 49.9768 -18.4955 -15.0954 -18.4955 -51.1586 -26.1129 -15.0954 -26.1129 -3.01516 GPRESSAVG: 3423000 49.7824 -17.8458 -17.552 -18.665 -49.9956 -24.4474 -12.5799 -25.2384 -3.0518 TIMING: 3423000 CPU: 9921.03, 0.00289658/step Wall: 9921.03, 0.00289658/step, 1.26886 hours remaining, 210.414062 MB of memory in use. ENERGY: 3423000 758.7540 2048.3378 1959.8184 105.8726 -205886.1435 17689.8839 0.0000 0.0000 34293.9626 -149029.5142 299.4977 -183323.4768 -148933.0191 298.8221 -112.3180 -76.7762 559415.5240 -1.3990 -1.0883 PRESSURE: 3423200 266.648 -26.5583 8.08333 -26.5588 76.0492 99.0908 8.08359 99.0917 -120.163 GPRESSURE: 3423200 299.95 24.1109 55.5691 5.10128 104.896 47.9861 36.1487 103.134 -77.6546 PRESSAVG: 3423200 61.4952 15.8309 39.1641 15.8309 -2.81427 46.0426 39.164 46.0425 -43.0971 GPRESSAVG: 3423200 61.1315 15.2827 39.859 17.0023 -1.82287 44.661 38.6215 45.9405 -43.1859 TIMING: 3423200 CPU: 9921.61, 0.00289534/step Wall: 9921.61, 0.00289534/step, 1.26816 hours remaining, 210.414062 MB of memory in use. ENERGY: 3423200 727.0020 2073.4732 1955.3122 119.0317 -206151.1756 17962.7434 0.0000 0.0000 34313.3332 -149000.2798 299.6669 -183313.6130 -148904.1086 300.1623 74.1780 109.0638 557163.0367 5.1946 5.3742 PRESSURE: 3423400 -92.5035 -45.4962 -217.516 -45.4984 -121.76 44.1498 -217.516 44.1496 17.9643 GPRESSURE: 3423400 -48.0129 -16.2723 -166.342 -59.902 -78.9379 78.7205 -123.468 -52.8746 31.9699 PRESSAVG: 3423400 59.5455 -44.5553 16.8173 -44.5553 1.62884 -4.36518 16.8174 -4.36517 -42.5595 GPRESSAVG: 3423400 60.0645 -44.8496 16.6869 -44.1458 0.825146 -1.68667 17.6393 -4.78084 -42.5161 TIMING: 3423400 CPU: 9922.19, 0.0028794/step Wall: 9922.19, 0.0028794/step, 1.26102 hours remaining, 210.414062 MB of memory in use. ENERGY: 3423400 774.0206 2123.5194 1942.0609 105.1737 -205881.5029 17860.8106 0.0000 0.0000 34177.8519 -148898.0658 298.4837 -183075.9177 -148806.8717 299.5594 -65.4329 -31.6603 558038.4733 6.2050 6.1245 PRESSURE: 3423600 2.77539 -12.6229 -57.0983 -12.6241 -140.767 -36.4566 -57.0983 -36.457 52.0996 GPRESSURE: 3423600 47.5937 111.78 -39.9682 -25.903 -126.959 -107.869 -97.3609 33.7084 76.3499 PRESSAVG: 3423600 24.8075 -26.0668 -2.15642 -26.0668 -33.2591 -13.2884 -2.15655 -13.2885 -28.1682 GPRESSAVG: 3423600 24.075 -24.9818 -1.20147 -28.0154 -33.2218 -15.0976 -4.89216 -11.5498 -27.5479 TIMING: 3423600 CPU: 9922.77, 0.00289409/step Wall: 9922.77, 0.00289409/step, 1.26729 hours remaining, 210.414062 MB of memory in use. ENERGY: 3423600 735.7399 2113.4019 1970.6283 111.2350 -206077.2975 17723.3644 0.0000 0.0000 34370.6593 -149052.2689 300.1675 -183422.9281 -148952.3416 299.8110 -28.6306 -1.0053 558121.8337 -12.2066 -12.2316 PRESSURE: 3423800 -52.6749 162.186 -126.316 162.185 -245.393 13.1851 -126.316 13.1846 247.802 GPRESSURE: 3423800 -52.9382 140.48 -137.037 144.69 -141.114 99.307 -158.576 2.7088 244.287 PRESSAVG: 3423800 20.4744 -13.8553 -4.2942 -13.8554 -77.6428 -8.14826 -4.29409 -8.14847 42.1586 GPRESSAVG: 3423800 20.0358 -16.2872 -1.63374 -12.4792 -77.3166 -7.20017 -3.86642 -8.77564 42.0459 TIMING: 3423800 CPU: 9923.34, 0.00288832/step Wall: 9923.34, 0.00288832/step, 1.2646 hours remaining, 210.414062 MB of memory in use. ENERGY: 3423800 690.3711 2156.5726 1924.7031 118.8720 -206016.9024 17841.5704 0.0000 0.0000 34251.5243 -149033.2890 299.1271 -183284.8132 -148939.3034 299.2591 -16.7551 16.7446 559885.1137 -5.0032 -5.0783 PRESSURE: 3424000 -138.771 -0.38648 -36.1301 -0.386617 -191.76 128.302 -36.132 128.303 -347.232 GPRESSURE: 3424000 -115.83 -50.2527 37.0067 78.7718 -147.427 190.559 -83.6897 59.8764 -322.775 PRESSAVG: 3424000 110.124 -0.609762 59.2604 -0.609795 -98.9172 26.8065 59.2603 26.8066 0.687866 GPRESSAVG: 3424000 111.802 1.29851 55.6173 -1.86737 -99.5372 27.2618 60.041 26.0075 -0.67846 TIMING: 3424000 CPU: 9923.92, 0.0029006/step Wall: 9923.92, 0.0029006/step, 1.26982 hours remaining, 210.414062 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: 3424000 722.2672 2115.5714 1939.0183 124.7308 -205749.2658 17622.0092 0.0000 0.0000 34288.1895 -148937.4794 299.4473 -183225.6689 -148842.8261 299.7407 -225.9208 -195.3443 559686.7921 3.9650 3.8622 PRESSURE: 3424200 -152.678 142.348 -78.0621 142.349 -294.235 -58.1397 -78.0602 -58.1383 -58.6178 GPRESSURE: 3424200 -148.522 123.852 -115.692 119.177 -231.25 -83.5599 18.2264 1.03566 -21.1237 PRESSAVG: 3424200 75.314 31.8089 -16.2453 31.8089 -69.5461 27.9133 -16.2453 27.9133 -23.4159 GPRESSAVG: 3424200 74.3948 32.8691 -15.6733 31.3827 -69.1961 25.9141 -15.1391 28.1957 -22.3886 TIMING: 3424200 CPU: 9924.5, 0.00289361/step Wall: 9924.5, 0.00289361/step, 1.2666 hours remaining, 210.414062 MB of memory in use. ENERGY: 3424200 758.5132 2150.7443 1964.5562 128.1358 -205602.0607 17581.8088 0.0000 0.0000 34103.1795 -148915.1229 297.8315 -183018.3024 -148818.8289 300.1312 -168.5103 -133.6319 558768.0009 -5.8827 -5.7300 LDB: ============= START OF LOAD BALANCING ============== 9927.89 LDB: ============== END OF LOAD BALANCING =============== 9927.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9927.89 LDB: ============= START OF LOAD BALANCING ============== 9928.18 LDB: Largest compute 4792 load 0.024267 is 20.6% of average load 0.117942 LDB: Average compute 0.001718 is 1.5% of average load 0.117942 LDB: TIME 9928.18 LOAD: AVG 0.117942 MAX 0.178185 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 9928.18 LOAD: AVG 0.117942 MAX 0.178185 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 9928.18 LOAD: AVG 0.117942 MAX 0.178185 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: ============== END OF LOAD BALANCING =============== 9928.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9928.19 PRESSURE: 3424400 -58.8539 34.1527 -28.1094 34.1522 -93.0683 -137.25 -28.1092 -137.252 -114.32 GPRESSURE: 3424400 -32.9674 -1.45958 -26.7714 100.03 -23.9067 -200.327 -94.7169 -122.149 -111.908 PRESSAVG: 3424400 64.6786 -36.0023 -21.3358 -36.0022 -60.932 -22.7483 -21.3358 -22.7484 -48.0466 GPRESSAVG: 3424400 64.99 -36.0248 -21.8254 -33.8281 -60.7318 -22.9681 -20.5803 -22.4385 -48.6366 TIMING: 3424400 CPU: 9925.1, 0.00296145/step Wall: 9925.1, 0.00296145/step, 1.29613 hours remaining, 212.664062 MB of memory in use. ENERGY: 3424400 730.3345 2088.4774 1936.0363 123.8703 -206102.1091 17678.4542 0.0000 0.0000 34405.4202 -149139.5161 300.4711 -183544.9363 -149039.1707 299.2162 -88.7476 -56.2608 557878.5395 -14.7667 -14.7928 PRESSURE: 3424600 216.017 77.8998 -226.048 77.8999 -232.873 -105.303 -226.047 -105.302 -147.881 GPRESSURE: 3424600 202.379 23.9938 -213.642 172.999 -162.551 -95.8673 -248.239 -118.653 -105.469 PRESSAVG: 3424600 7.05016 34.3 -13.8985 34.2999 -2.43677 -32.1184 -13.8984 -32.1183 1.70668 GPRESSAVG: 3424600 7.5026 30.4293 -12.5507 35.4231 -2.41179 -31.5312 -15.2501 -31.1416 2.27629 TIMING: 3424600 CPU: 9925.67, 0.00287435/step Wall: 9925.67, 0.00287435/step, 1.25785 hours remaining, 212.664062 MB of memory in use. ENERGY: 3424600 743.4121 2116.4649 1944.0702 115.4579 -206080.0800 17734.8665 0.0000 0.0000 34295.3320 -149130.4765 299.5097 -183425.8084 -149025.9833 299.3206 -54.9122 -21.8803 557507.4899 2.1067 2.4557 PRESSURE: 3424800 30.6005 9.5777 -12.7869 9.57845 10.0239 -34.8778 -12.7862 -34.8786 -44.248 GPRESSURE: 3424800 96.7269 -43.8454 -34.6168 17.941 0.129967 2.02867 13.4211 -111.946 -4.28215 PRESSAVG: 3424800 14.4255 29.8003 -40.184 29.8004 -22.9372 -23.238 -40.184 -23.238 7.40419 GPRESSAVG: 3424800 14.5927 32.1458 -40.6578 26.9095 -23.3224 -22.4558 -40.8625 -23.4292 7.61316 TIMING: 3424800 CPU: 9926.24, 0.00285541/step Wall: 9926.24, 0.00285541/step, 1.2494 hours remaining, 212.664062 MB of memory in use. ENERGY: 3424800 754.9974 2114.3107 1969.3937 105.7300 -205971.6591 17636.9040 0.0000 0.0000 34265.7525 -149124.5708 299.2513 -183390.3234 -149024.3668 299.3371 -1.2078 30.8582 558747.9278 -0.3692 -0.3722 PRESSURE: 3425000 -237.683 -34.5045 111.788 -34.5031 -251.548 83.3863 111.789 83.3864 -23.1167 GPRESSURE: 3425000 -205.299 -128.236 129.074 -8.71412 -174.871 47.9565 149.527 86.8974 -29.7024 PRESSAVG: 3425000 -14.8874 21.0163 -52.6894 21.0163 9.10581 -3.80847 -52.6894 -3.80841 -13.1238 GPRESSAVG: 3425000 -14.6602 19.3081 -51.3211 23.3056 9.03498 -4.11613 -52.0887 -4.2151 -14.6963 TIMING: 3425000 CPU: 9926.82, 0.00290354/step Wall: 9926.82, 0.00290354/step, 1.2703 hours remaining, 212.664062 MB of memory in use. ENERGY: 3425000 734.0519 2060.9807 1974.6467 117.1090 -205562.5219 17367.1532 0.0000 0.0000 34294.4284 -149014.1518 299.5018 -183308.5802 -148912.6213 299.4453 -170.7824 -136.6241 559129.5970 -6.3018 -6.7738 PRESSURE: 3425200 -232.046 60.1085 -62.0907 60.108 46.9853 115.46 -62.0915 115.462 -78.4054 GPRESSURE: 3425200 -127.073 105.624 -23.7519 -9.42781 48.2219 113.146 -52.2772 141.236 -78.4692 PRESSAVG: 3425200 -7.82548 5.091 3.84108 5.09094 -57.2057 -2.30465 3.84107 -2.30475 68.8195 GPRESSAVG: 3425200 -9.16121 7.53018 3.00033 3.56472 -57.0253 -2.44487 5.95439 -2.25818 69.9351 TIMING: 3425200 CPU: 9927.4, 0.0029079/step Wall: 9927.4, 0.0029079/step, 1.27204 hours remaining, 212.664062 MB of memory in use. ENERGY: 3425200 741.7385 2106.3683 1941.8048 110.9693 -205643.5960 17569.7313 0.0000 0.0000 34284.0215 -148888.9622 299.4109 -183172.9838 -148795.6064 299.7658 -87.8222 -52.4400 558861.6307 1.2628 1.2495 PRESSURE: 3425400 105.616 -155.031 97.7486 -155.03 -110.85 86.9725 97.7482 86.9704 -324.032 GPRESSURE: 3425400 119.073 -150.705 75.86 -152.275 -110.432 24.0277 73.8802 79.5857 -243.402 PRESSAVG: 3425400 24.4483 -69.0796 28.7868 -69.0794 19.6647 -10.4024 28.7868 -10.4025 -38.6421 GPRESSAVG: 3425400 24.253 -68.5105 29.9541 -69.0168 19.6411 -10.641 26.4093 -11.0764 -38.9705 TIMING: 3425400 CPU: 9927.98, 0.00290615/step Wall: 9927.98, 0.00290614/step, 1.27112 hours remaining, 212.664062 MB of memory in use. ENERGY: 3425400 787.2322 2067.1792 1967.9369 116.5978 -205904.9750 17727.3960 0.0000 0.0000 34290.7350 -148947.8978 299.4695 -183238.6328 -148854.9146 299.4535 -109.7554 -78.2539 557416.9623 1.8236 1.6412 PRESSURE: 3425600 -36.6475 -4.4465 56.4671 -4.44735 8.50246 -14.7947 56.4669 -14.7963 -112.074 GPRESSURE: 3425600 -33.0551 -14.1452 53.1327 -17.1919 27.4284 -113.849 150.154 41.9345 -25.907 PRESSAVG: 3425600 95.5958 -25.3443 74.0941 -25.3443 -27.4907 45.9701 74.0942 45.97 -56.238 GPRESSAVG: 3425600 95.1851 -26.2562 71.9785 -25.1926 -27.3247 46.5603 75.5801 46.6986 -56.2886 TIMING: 3425600 CPU: 9928.57, 0.00291618/step Wall: 9928.57, 0.00291618/step, 1.27534 hours remaining, 212.664062 MB of memory in use. ENERGY: 3425600 772.7593 2084.0371 1946.5404 130.1286 -205974.3378 17744.2428 0.0000 0.0000 34467.4319 -148829.1977 301.0127 -183296.6296 -148732.6294 299.6032 -46.7398 -10.5112 559566.5267 3.9557 3.8573 PRESSURE: 3425800 -339.067 -32.1453 227.939 -32.1465 -90.3403 -145.542 227.939 -145.543 -184.199 GPRESSURE: 3425800 -337.443 -107.667 171.502 9.92738 -78.0785 -132.847 285.808 -177.118 -98.0645 PRESSAVG: 3425800 -52.5854 -33.901 39.4379 -33.9009 -0.804648 -39.85 39.4378 -39.85 41.2772 GPRESSAVG: 3425800 -52.1618 -33.5685 42.0034 -33.1649 -0.605194 -39.2187 37.7885 -40.9473 40.6862 TIMING: 3425800 CPU: 9929.15, 0.00290524/step Wall: 9929.15, 0.00290524/step, 1.2704 hours remaining, 212.664062 MB of memory in use. ENERGY: 3425800 764.0390 2075.7211 1976.4876 126.4834 -205647.9237 17574.7812 0.0000 0.0000 34306.8846 -148823.5268 299.6106 -183130.4114 -148727.5389 300.3053 -204.5353 -171.1954 561061.9239 -4.0376 -4.0269 PRESSURE: 3426000 120.666 19.5675 128.26 19.5677 132.057 -58.9763 128.26 -58.9767 130.095 GPRESSURE: 3426000 82.0932 -45.0199 216.806 46.0435 181.117 1.20207 166.136 -111.622 212.65 PRESSAVG: 3426000 8.12131 16.9472 29.1013 16.9473 -7.62053 -64.1375 29.1012 -64.1374 1.94857 GPRESSAVG: 3426000 7.03365 15.8461 26.9771 16.054 -6.30669 -65.6796 28.5323 -61.8504 1.509 TIMING: 3426000 CPU: 9929.73, 0.00289573/step Wall: 9929.73, 0.00289573/step, 1.26608 hours remaining, 212.664062 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: 3426000 740.0202 2069.8152 1947.1099 119.4728 -205854.2530 17849.1682 0.0000 0.0000 34233.6679 -148894.9988 298.9711 -183128.6667 -148799.0251 300.3590 127.6059 158.6200 559527.8527 0.8164 0.7453 PRESSURE: 3426200 230.399 -5.48457 -22.693 -5.48628 -71.2099 28.1136 -22.693 28.1149 180.415 GPRESSURE: 3426200 247.7 -25.9565 -8.56834 -80.9181 -33.4345 -19.2067 -67.7594 16.8549 222.014 PRESSAVG: 3426200 80.651 26.8522 -13.3507 26.8522 -119.156 -3.40588 -13.3507 -3.40576 5.40019 GPRESSAVG: 3426200 82.9601 29.2981 -13.8369 26.9553 -121.954 -2.05671 -9.79231 -4.79337 5.98579 TIMING: 3426200 CPU: 9930.3, 0.00287953/step Wall: 9930.3, 0.00287953/step, 1.25884 hours remaining, 212.664062 MB of memory in use. ENERGY: 3426200 735.7167 2130.0151 1951.0659 102.9406 -206113.5991 18096.7595 0.0000 0.0000 34216.4758 -148880.6256 298.8210 -183097.1014 -148780.4159 299.4862 113.2013 145.4264 558294.5543 -11.0349 -11.0028 PRESSURE: 3426400 -107.279 -149.865 -47.3994 -149.864 -74.3116 28.5417 -47.4001 28.5427 -242.057 GPRESSURE: 3426400 -96.5116 -94.4843 -98.4846 -186.366 -41.0965 22.1751 63.1245 16.8088 -178.996 PRESSAVG: 3426400 11.5428 63.9153 -40.1112 63.9153 19.1069 50.3146 -40.1112 50.3146 -25.9248 GPRESSAVG: 3426400 10.3592 63.2154 -41.3162 63.2111 20.2329 50.9746 -41.3388 49.6434 -26.3203 TIMING: 3426400 CPU: 9930.88, 0.00289273/step Wall: 9930.88, 0.00289273/step, 1.26444 hours remaining, 212.664062 MB of memory in use. ENERGY: 3426400 748.9422 2118.8594 1929.8691 104.7998 -205792.1396 17593.8677 0.0000 0.0000 34223.5988 -149072.2026 298.8832 -183295.8014 -148982.5055 300.0806 -141.2157 -105.5349 557898.1305 1.5749 1.4239 PRESSURE: 3426600 185.497 18.5807 -69.0923 18.5808 93.534 89.5725 -69.0929 89.5734 411.867 GPRESSURE: 3426600 237.763 -38.7719 -101.925 76.3093 140.324 96.1289 -59.0839 204.202 409.868 PRESSAVG: 3426600 22.5976 12.941 -50.9688 12.941 55.8973 26.9466 -50.9688 26.9465 -44.1136 GPRESSAVG: 3426600 22.7691 12.0919 -50.4835 15.2281 55.8866 25.8855 -50.4566 28.0884 -45.0353 TIMING: 3426600 CPU: 9931.46, 0.00287648/step Wall: 9931.46, 0.00287648/step, 1.25718 hours remaining, 212.664062 MB of memory in use. ENERGY: 3426600 752.5224 2052.3536 1940.9819 111.4376 -206731.3545 18295.1224 0.0000 0.0000 34351.1662 -149227.7704 299.9973 -183578.9366 -149128.9173 298.8026 230.2994 262.6515 557124.4075 11.4604 11.2068 PRESSURE: 3426800 83.5024 0.499292 -60.7628 0.499252 -96.456 -52.5068 -60.7622 -52.5055 -65.814 GPRESSURE: 3426800 96.7174 53.5012 -92.8655 91.8268 -92.8972 -60.8078 -85.9569 -78.9495 8.33054 PRESSAVG: 3426800 59.4299 -36.4906 -1.23867 -36.4907 -51.4168 28.512 -1.23864 28.5121 4.01927 GPRESSAVG: 3426800 59.2193 -34.9884 0.892868 -37.1021 -52.6533 28.2097 -3.00325 29.5803 5.19289 TIMING: 3426800 CPU: 9932.04, 0.0028919/step Wall: 9932.04, 0.0028919/step, 1.26376 hours remaining, 212.664062 MB of memory in use. ENERGY: 3426800 741.7599 2037.2080 1944.7630 118.7213 -206333.2796 17888.4409 0.0000 0.0000 34349.6676 -149252.7189 299.9842 -183602.3865 -149156.8834 298.9294 -26.2559 4.0502 558551.2959 4.0108 3.9196 PRESSURE: 3427000 -0.0981574 157.006 -70.5704 157.005 -251.113 94.2761 -70.5699 94.2758 -108.314 GPRESSURE: 3427000 83.9175 27.6785 -75.1444 133.71 -192.809 186.647 33.0815 60.6445 -152.584 PRESSAVG: 3427000 61.2663 0.675997 -20.2862 0.675967 -70.8647 17.3259 -20.2862 17.3259 -2.19381 GPRESSAVG: 3427000 59.8377 0.944475 -19.56 -1.145 -69.8382 18.089 -21.6392 15.7117 -2.87562 TIMING: 3427000 CPU: 9932.62, 0.00289906/step Wall: 9932.62, 0.00289906/step, 1.26673 hours remaining, 212.664062 MB of memory in use. ENERGY: 3427000 726.3623 2096.3292 1939.7042 116.8562 -206310.8483 17821.6403 0.0000 0.0000 34226.6688 -149383.2872 298.9100 -183609.9560 -149285.0660 298.9493 -119.8417 -87.1583 558877.7983 -3.9307 -4.2920 PRESSURE: 3427200 46.2706 16.698 64.9965 16.6969 -233.884 -33.0012 64.9963 -33.0018 62.802 GPRESSURE: 3427200 49.1757 -60.6976 74.3485 -92.0349 -139.057 -86.5683 -26.0554 -99.8548 65.7052 PRESSAVG: 3427200 2.40126 9.246 23.8619 9.24592 -15.8399 -12.7182 23.862 -12.7181 16.9739 GPRESSAVG: 3427200 2.6123 6.46501 23.3937 10.2079 -15.6121 -11.7219 23.3926 -12.8571 16.829 TIMING: 3427200 CPU: 9933.2, 0.00291238/step Wall: 9933.2, 0.00291238/step, 1.27239 hours remaining, 212.675781 MB of memory in use. ENERGY: 3427200 750.3998 2091.2289 1937.1462 97.9092 -206514.6337 17886.0859 0.0000 0.0000 34070.0323 -149681.8314 297.5421 -183751.8637 -149592.4449 298.9446 -41.6038 -8.0587 556015.2368 1.1784 1.2764 PRESSURE: 3427400 -263.134 -23.537 -56.4455 -23.5373 -99.6277 -39.1908 -56.4457 -39.19 -228.317 GPRESSURE: 3427400 -175.477 79.9831 9.94916 -162.862 -67.1509 -44.9595 -87.2464 -58.9345 -248.726 PRESSAVG: 3427400 64.357 19.9446 -6.41622 19.9445 -46.7171 -21.6675 -6.41622 -21.6674 -14.1716 GPRESSAVG: 3427400 64.4681 20.391 -6.65689 20.9662 -47.2643 -23.3689 -5.6424 -21.599 -13.8819 TIMING: 3427400 CPU: 9933.78, 0.00289947/step Wall: 9933.78, 0.00289947/step, 1.26658 hours remaining, 212.675781 MB of memory in use. ENERGY: 3427400 743.2030 2018.6278 1942.0566 110.6083 -206270.6671 17608.6982 0.0000 0.0000 34053.9186 -149793.5547 297.4013 -183847.4733 -149691.0434 297.5034 -197.0262 -163.7845 558464.0618 1.1561 1.1073 PRESSURE: 3427600 -66.0278 28.2727 57.8018 28.2721 -143.207 -145.835 57.8007 -145.835 -176.452 GPRESSURE: 3427600 -76.9276 158.857 -33.4541 -41.8815 -85.1554 -142.629 79.7288 -41.6947 -123.116 PRESSAVG: 3427600 3.46061 -25.2899 34.4916 -25.2899 68.0604 5.92199 34.4916 5.92202 -48.476 GPRESSAVG: 3427600 4.49154 -23.4125 32.1516 -25.9441 66.5682 5.87443 35.628 6.17802 -47.8627 TIMING: 3427600 CPU: 9934.36, 0.00290194/step Wall: 9934.36, 0.00290194/step, 1.2675 hours remaining, 212.675781 MB of memory in use. ENERGY: 3427600 748.6542 2075.0807 1914.1428 123.6995 -206324.4815 17760.5499 0.0000 0.0000 34058.3296 -149644.0248 297.4399 -183702.3544 -149551.5875 297.6609 -128.5623 -95.0662 558886.7526 7.6817 7.7324 PRESSURE: 3427800 235.37 59.6642 -68.8358 59.665 127.178 9.16299 -68.8361 9.16298 137.84 GPRESSURE: 3427800 276.232 76.7562 -101.189 56.299 167.172 40.8726 -61.6427 1.31972 155.061 PRESSAVG: 3427800 18.6036 46.3001 16.589 46.3001 14.9356 -30.5364 16.589 -30.5364 -7.03145 GPRESSAVG: 3427800 18.1193 45.1331 18.467 45.7945 16.5094 -28.719 16.375 -31.6748 -7.87302 TIMING: 3427800 CPU: 9934.94, 0.00290897/step Wall: 9934.94, 0.00290897/step, 1.27041 hours remaining, 212.675781 MB of memory in use. ENERGY: 3427800 674.5006 2075.4146 1936.3540 114.0252 -206657.7019 18139.7481 0.0000 0.0000 34203.8260 -149513.8335 298.7105 -183717.6595 -149420.0514 297.7020 166.7962 199.4884 557997.6388 8.8359 8.9186 PRESSURE: 3428000 -60.3974 -33.6927 17.2572 -33.6926 68.394 85.107 17.2566 85.1057 -209.64 GPRESSURE: 3428000 6.1546 -86.7936 63.2879 -54.2844 112.596 22.8631 10.6716 114.673 -223.42 PRESSAVG: 3428000 5.44915 -43.2803 -36.2132 -43.2804 -18.2708 -30.1928 -36.2132 -30.1929 -30.1774 GPRESSAVG: 3428000 6.29877 -43.7791 -36.2099 -42.4556 -17.8275 -31.4836 -36.2368 -29.5142 -31.5875 TIMING: 3428000 CPU: 9935.52, 0.00291872/step Wall: 9935.52, 0.00291872/step, 1.27451 hours remaining, 212.878906 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: 3428000 726.4552 2071.7796 1953.3379 115.2231 -206336.7585 17737.3333 0.0000 0.0000 34149.3931 -149583.2363 298.2351 -183732.6294 -149484.3580 297.9681 -67.2146 -34.8897 557162.9967 -14.3330 -14.3721 PRESSURE: 3428200 40.2967 30.7791 10.868 30.7794 -253.288 100.682 10.8685 100.68 -221.314 GPRESSURE: 3428200 17.6998 65.8504 -8.05517 39.3249 -213.123 23.287 -37.6708 104.029 -165.103 PRESSAVG: 3428200 -19.3041 -63.1697 27.9005 -63.1699 38.2207 -21.9393 27.9005 -21.9393 -30.8 GPRESSAVG: 3428200 -20.3373 -63.54 26.8752 -62.2289 37.8787 -23.6029 27.4497 -20.9657 -29.6904 TIMING: 3428200 CPU: 9936.1, 0.00290017/step Wall: 9936.1, 0.00290017/step, 1.26624 hours remaining, 212.878906 MB of memory in use. ENERGY: 3428200 754.1226 2096.3705 1954.7392 109.3872 -206352.3468 17734.0805 0.0000 0.0000 34022.4720 -149681.1748 297.1267 -183703.6468 -149589.0640 297.8329 -144.7682 -120.1754 557317.0373 -3.9611 -4.0497 LDB: ============= START OF LOAD BALANCING ============== 9939.49 LDB: ============== END OF LOAD BALANCING =============== 9939.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9939.49 LDB: ============= START OF LOAD BALANCING ============== 9939.78 LDB: Largest compute 4792 load 0.024306 is 20.6% of average load 0.118012 LDB: Average compute 0.001720 is 1.5% of average load 0.118012 LDB: TIME 9939.78 LOAD: AVG 0.118012 MAX 0.179459 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 9939.78 LOAD: AVG 0.118012 MAX 0.179459 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 9939.78 LOAD: AVG 0.118012 MAX 0.179459 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9939.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9939.79 PRESSURE: 3428400 -374.149 66.8375 -42.1928 66.8376 70.2338 -242.14 -42.194 -242.141 45.8466 GPRESSURE: 3428400 -346.464 77.4451 -28.0627 69.9389 106.605 -284.068 -4.75061 -237.111 84.6618 PRESSAVG: 3428400 -3.55305 -14.5997 38.1036 -14.5997 -13.0008 8.54798 38.1035 8.54793 46.1988 GPRESSAVG: 3428400 -3.19211 -13.7678 38.1266 -14.136 -12.9746 10.8874 38.763 7.45797 45.9916 TIMING: 3428400 CPU: 9936.69, 0.00294949/step Wall: 9936.69, 0.00294949/step, 1.28762 hours remaining, 210.863281 MB of memory in use. ENERGY: 3428400 731.5555 2052.9118 1943.7598 110.0434 -206506.5576 17809.0989 0.0000 0.0000 34204.5359 -149654.6524 298.7167 -183859.1883 -149560.7845 298.2290 -86.0230 -51.7326 557748.9954 9.8817 9.9416 PRESSURE: 3428600 -166.643 38.7175 130.384 38.7185 -26.2447 100.935 130.384 100.935 -236.526 GPRESSURE: 3428600 -104.657 18.9173 169.204 -1.33187 -16.0112 178.955 93.116 28.6865 -210.449 PRESSAVG: 3428600 -47.3274 51.9794 50.782 51.9794 28.3398 -10.4701 50.7819 -10.4701 -14.3728 GPRESSAVG: 3428600 -46.881 53.7301 49.5826 49.7878 28.4413 -12.2116 51.569 -9.69459 -14.0682 TIMING: 3428600 CPU: 9937.27, 0.00288769/step Wall: 9937.27, 0.00288769/step, 1.26048 hours remaining, 211.066406 MB of memory in use. ENERGY: 3428600 729.4779 2063.5725 1929.1123 106.7096 -206455.7620 17821.6992 0.0000 0.0000 34262.5973 -149542.5932 299.2238 -183805.1905 -149449.6566 298.1865 -143.1377 -110.3723 558124.3260 -11.1201 -10.8360 PRESSURE: 3428800 207.386 -100.303 121.552 -100.302 166.984 -14.5531 121.551 -14.554 -0.926081 GPRESSURE: 3428800 205.487 -27.5239 147.194 -112.966 226.11 56.9734 79.2401 -77.0116 31.7467 PRESSAVG: 3428800 9.16356 21.7579 -6.30607 21.7579 -18.4145 34.7998 -6.30612 34.7998 -14.0927 GPRESSAVG: 3428800 9.35627 22.1042 -3.77391 21.5517 -17.9913 34.8459 -8.84179 34.0483 -14.6583 TIMING: 3428800 CPU: 9937.85, 0.00288406/step Wall: 9937.85, 0.00288406/step, 1.25873 hours remaining, 211.066406 MB of memory in use. ENERGY: 3428800 696.1693 2086.9621 1902.8287 106.5383 -206676.0330 18151.4416 0.0000 0.0000 34209.2169 -149522.8761 298.7576 -183732.0930 -149429.6341 298.6283 124.4812 154.4479 557132.4932 -7.7812 -7.7645 PRESSURE: 3429000 -146.306 48.773 -36.7859 48.7727 -137.283 112.871 -36.7856 112.87 -184.043 GPRESSURE: 3429000 -142.476 66.3314 41.3704 -27.5124 -103.751 173.889 -148.591 60.5679 -119.388 PRESSAVG: 3429000 59.394 -15.2555 4.39789 -15.2554 -33.076 39.9621 4.3979 39.962 -9.69484 GPRESSAVG: 3429000 59.106 -17.8836 4.36577 -14.6493 -34.1746 40.0851 4.94983 38.8297 -8.0982 TIMING: 3429000 CPU: 9938.43, 0.00290192/step Wall: 9938.43, 0.00290192/step, 1.26636 hours remaining, 211.066406 MB of memory in use. ENERGY: 3429000 764.7364 2086.0499 1918.7569 114.4426 -206569.0587 17851.3010 0.0000 0.0000 34219.1346 -149614.6373 298.8442 -183833.7718 -149516.3944 298.7950 -155.8771 -121.8713 557783.9501 5.5411 5.6111 PRESSURE: 3429200 -50.3188 5.18965 149.963 5.1899 219.492 160.317 149.961 160.315 -202.815 GPRESSURE: 3429200 -75.6619 -58.1796 262.464 18.043 237.302 93.9108 111.73 184.993 -111.744 PRESSAVG: 3429200 4.23252 32.6731 19.7587 32.6732 23.0442 11.236 19.7586 11.236 -16.1433 GPRESSAVG: 3429200 3.97949 32.7345 16.1629 32.657 24.5356 10.3323 22.0903 11.5252 -18.0682 TIMING: 3429200 CPU: 9939.01, 0.00289457/step Wall: 9939.01, 0.00289457/step, 1.263 hours remaining, 211.066406 MB of memory in use. ENERGY: 3429200 753.8458 2080.4624 1917.6862 110.2350 -206597.6793 17866.4482 0.0000 0.0000 34303.0032 -149565.9986 299.5767 -183869.0018 -149465.3174 298.6337 -11.2140 16.6321 555449.2540 3.7112 3.4823 PRESSURE: 3429400 -166.309 -208.351 70.8902 -208.35 -134.476 210.706 70.8889 210.707 83.6946 GPRESSURE: 3429400 -168.818 -161.281 -9.3406 -246.508 -26.5031 166.365 67.5288 160.437 76.3128 PRESSAVG: 3429400 -18.5114 -15.2024 -5.09694 -15.2024 24.8656 1.97012 -5.09693 1.97001 -27.8669 GPRESSAVG: 3429400 -18.4513 -13.4547 -2.98292 -15.6383 25.0667 1.34286 -5.15004 3.02313 -27.8055 TIMING: 3429400 CPU: 9939.59, 0.00289636/step Wall: 9939.59, 0.00289636/step, 1.26362 hours remaining, 211.066406 MB of memory in use. ENERGY: 3429400 729.3513 2081.0354 1952.3132 110.0515 -206169.1310 17535.4856 0.0000 0.0000 34419.9474 -149340.9467 300.5980 -183760.8940 -149247.4142 298.5609 -72.3635 -39.6694 556506.0695 -7.1709 -7.0634 PRESSURE: 3429600 -4.50308 75.2377 -163.126 75.2387 107.951 -69.8166 -163.128 -69.8176 -55.261 GPRESSURE: 3429600 27.2759 78.0274 -141.337 42.8855 173.121 -92.0283 -128.532 -84.119 -49.3037 PRESSAVG: 3429600 -49.6423 -3.20198 -13.0715 -3.20195 -16.7835 23.5371 -13.0716 23.5372 68.6343 GPRESSAVG: 3429600 -50.8091 -4.71482 -12.4225 -0.807188 -16.3546 25.7117 -15.2452 24.3345 68.9254 TIMING: 3429600 CPU: 9940.17, 0.00290411/step Wall: 9940.17, 0.00290411/step, 1.26684 hours remaining, 211.066406 MB of memory in use. ENERGY: 3429600 742.6753 2132.5792 1976.7389 114.9162 -206355.9912 17838.0092 0.0000 0.0000 34275.8920 -149275.1803 299.3399 -183551.0723 -149176.4007 299.9346 16.0624 50.3645 556613.4736 0.7362 0.5873 PRESSURE: 3429800 -104.096 110.504 -171.375 110.502 96.1177 -83.2631 -171.375 -83.2625 77.735 GPRESSURE: 3429800 7.74145 67.8912 -158.768 114.689 -3.44179 -119.959 -160.859 -51.943 155.664 PRESSAVG: 3429800 4.85119 52.158 -16.2066 52.1581 58.4417 15.3258 -16.2066 15.3257 -35.161 GPRESSAVG: 3429800 5.47098 51.7176 -16.7156 51.1337 57.2939 15.1172 -14.5365 14.4856 -35.1637 TIMING: 3429800 CPU: 9940.75, 0.00290566/step Wall: 9940.75, 0.00290566/step, 1.26735 hours remaining, 211.066406 MB of memory in use. ENERGY: 3429800 764.6115 2122.0245 1972.8415 122.1433 -206528.6358 17956.1542 0.0000 0.0000 34190.1125 -149400.7482 298.5908 -183590.8607 -149301.1930 299.8413 23.2521 53.3211 557406.2292 9.3773 9.2004 PRESSURE: 3430000 -25.3196 -36.5737 141.57 -36.5741 28.7512 -70.5717 141.57 -70.5717 -46.3042 GPRESSURE: 3430000 -6.36049 -15.2321 171.177 26.5128 34.5713 -126.157 194.614 -51.4484 31.1651 PRESSAVG: 3430000 16.3209 25.2308 -61.343 25.2308 -48.5692 -7.3927 -61.343 -7.39267 -30.8237 GPRESSAVG: 3430000 17.2881 25.8468 -62.425 25.8264 -48.7655 -8.90159 -62.348 -8.36847 -31.7405 TIMING: 3430000 CPU: 9941.33, 0.00289952/step Wall: 9941.33, 0.00289952/step, 1.26451 hours remaining, 211.066406 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: 3430000 725.3657 2105.1835 1951.0280 113.5450 -206088.1635 17755.2495 0.0000 0.0000 34168.2004 -149269.5914 298.3994 -183437.7918 -149175.2875 299.4093 -14.2908 19.7920 557987.5258 -21.0240 -21.0727 PRESSURE: 3430200 164.506 83.6905 49.0561 83.6909 51.9918 39.8502 49.0553 39.8502 293.192 GPRESSURE: 3430200 230.88 62.037 118.022 111.137 84.198 -50.4247 22.857 38.1778 293.903 PRESSAVG: 3430200 29.1799 70.4183 13.7412 70.4182 -53.9294 -8.17243 13.7412 -8.1724 14.0718 GPRESSAVG: 3430200 29.187 68.476 11.6271 71.3854 -54.7723 -7.16952 14.9153 -8.41415 14.8398 TIMING: 3430200 CPU: 9941.91, 0.00289175/step Wall: 9941.91, 0.00289175/step, 1.26096 hours remaining, 211.066406 MB of memory in use. ENERGY: 3430200 718.0130 2157.3487 1937.1471 112.5648 -206295.3949 17981.0378 0.0000 0.0000 34115.2172 -149274.0664 297.9367 -183389.2837 -149180.3615 298.9934 169.8965 202.9936 556650.5284 -3.5593 -3.5818 PRESSURE: 3430400 -93.1917 -77.0886 -158.151 -77.089 -49.1942 -144.148 -158.15 -144.146 -0.556067 GPRESSURE: 3430400 -35.3984 -69.5307 -209.78 -63.639 -6.92751 -104.81 -49.8478 -126.693 -8.17553 PRESSAVG: 3430400 3.02975 3.33394 15.4594 3.33383 -0.88704 -7.57615 15.4594 -7.57617 -17.2083 GPRESSAVG: 3430400 3.06623 5.78072 18.4517 1.38699 -0.906323 -7.06339 15.026 -6.81938 -17.2059 TIMING: 3430400 CPU: 9942.49, 0.00291637/step Wall: 9942.49, 0.00291637/step, 1.27154 hours remaining, 211.066406 MB of memory in use. ENERGY: 3430400 739.4553 2113.9928 1913.8505 104.5266 -205934.2010 17583.9322 0.0000 0.0000 34241.3000 -149237.1435 299.0378 -183478.4435 -149145.2013 298.8490 -47.6473 -16.8338 557505.2960 -5.0219 -5.0153 PRESSURE: 3430600 -389.526 -54.5979 -81.8373 -54.5985 -268.234 -170.096 -81.8367 -170.096 -439.801 GPRESSURE: 3430600 -344.197 -65.0414 -85.6567 -37.9144 -259.644 -160.303 -173.071 -108.567 -387.589 PRESSAVG: 3430600 -19.7061 12.8711 15.2245 12.8712 22.1751 44.1356 15.2245 44.1357 -12.6633 GPRESSAVG: 3430600 -18.9213 10.9866 14.2843 12.9411 22.8882 47.1774 14.9971 42.9551 -14.5554 TIMING: 3430600 CPU: 9943.07, 0.00290638/step Wall: 9943.07, 0.00290638/step, 1.26702 hours remaining, 211.066406 MB of memory in use. ENERGY: 3430600 765.2239 2094.0106 1946.7609 109.8613 -205346.2718 17237.7255 0.0000 0.0000 34092.3947 -149100.2950 297.7374 -183192.6897 -149005.2826 299.3337 -365.8538 -330.4767 557853.6427 -3.3981 -3.5295 PRESSURE: 3430800 190.273 -33.9744 -7.03944 -33.9757 -298.318 49.0677 -7.04023 49.0674 9.61762 GPRESSURE: 3430800 199.662 -43.565 -4.62684 -57.7857 -233.968 60.1755 -55.4176 47.8958 30.9677 PRESSAVG: 3430800 -33.0116 -93.4123 54.3212 -93.4122 11.1617 -37.5987 54.3212 -37.5986 14.9573 GPRESSAVG: 3430800 -33.3666 -93.0682 54.9944 -93.6604 10.6991 -38.6028 55.3578 -36.2261 16.3142 TIMING: 3430800 CPU: 9943.65, 0.0028992/step Wall: 9943.65, 0.0028992/step, 1.26373 hours remaining, 211.066406 MB of memory in use. ENERGY: 3430800 737.1819 2103.9145 1962.1773 106.3752 -206134.4902 17743.4027 0.0000 0.0000 34266.9644 -149214.4742 299.2619 -183481.4386 -149124.5239 299.4644 -32.8092 -1.1126 556110.1667 -2.2976 -2.1178 PRESSURE: 3431000 -243.623 65.1897 176.604 65.1896 -179.041 60.5338 176.604 60.5341 171.056 GPRESSURE: 3431000 -178.759 41.5084 150.279 65.0798 -137.858 88.1969 179.856 38.0861 173.467 PRESSAVG: 3431000 57.429 -7.4334 57.1281 -7.43341 12.3675 -8.38771 57.1283 -8.38762 -29.8951 GPRESSAVG: 3431000 57.5913 -7.56258 58.2364 -5.43176 12.4319 -10.4255 54.5364 -8.15971 -30.0258 TIMING: 3431000 CPU: 9944.23, 0.00289193/step Wall: 9944.23, 0.00289193/step, 1.2604 hours remaining, 211.066406 MB of memory in use. ENERGY: 3431000 742.3037 2049.9775 1974.5302 102.7501 -206012.9293 17761.9144 0.0000 0.0000 34056.7187 -149324.7345 297.4258 -183381.4532 -149223.9642 299.1796 -83.8691 -47.7169 557851.8224 13.3005 13.3325 PRESSURE: 3431200 -200.514 -74.5726 -92.9907 -74.5731 85.3026 -5.75415 -92.9913 -5.75328 70.2847 GPRESSURE: 3431200 -204.81 -75.9686 -112.016 -81.9932 136.202 14.5046 -65.1083 20.0225 124.274 PRESSAVG: 3431200 -31.2735 -29.2232 30.8303 -29.2231 50.0829 -18.4882 30.8304 -18.4883 -46.8256 GPRESSAVG: 3431200 -33.2074 -29.556 30.9437 -28.7108 51.0277 -19.9821 32.4751 -17.585 -46.296 TIMING: 3431200 CPU: 9944.81, 0.00288038/step Wall: 9944.81, 0.00288038/step, 1.2552 hours remaining, 211.066406 MB of memory in use. ENERGY: 3431200 697.1517 2053.3826 1960.5914 116.5770 -206170.9852 17801.8564 0.0000 0.0000 34201.8362 -149339.5900 298.6931 -183541.4261 -149243.8122 299.0265 -14.9756 18.5553 558855.2357 -9.3387 -9.4919 PRESSURE: 3431400 52.592 52.9128 48.8482 52.9127 -70.3573 10.7432 48.849 10.7424 -2.5531 GPRESSURE: 3431400 59.554 28.4939 90.9828 38.6573 7.53381 -45.6022 83.7046 -23.0257 5.37055 PRESSAVG: 3431400 -10.8203 34.2606 14.243 34.2606 -9.01953 21.4522 14.243 21.4523 7.83953 GPRESSAVG: 3431400 -10.419 35.6459 14.4483 32.4599 -9.11069 24.3182 13.102 19.4544 6.6604 TIMING: 3431400 CPU: 9945.39, 0.002896/step Wall: 9945.39, 0.002896/step, 1.26185 hours remaining, 211.066406 MB of memory in use. ENERGY: 3431400 721.0240 2119.5136 1965.9883 115.8969 -206277.4719 17879.1527 0.0000 0.0000 34124.4300 -149351.4664 298.0171 -183475.8964 -149252.9101 299.3455 -6.7728 24.1528 557677.7651 -4.0001 -4.2898 PRESSURE: 3431600 177.846 -29.6857 31.7789 -29.6872 -310.421 -176.806 31.7795 -176.805 146.93 GPRESSURE: 3431600 205.395 -65.742 45.2281 -44.5008 -305.869 -211.682 -47.6198 -136.531 223.86 PRESSAVG: 3431600 20.6407 10.1707 15.3699 10.1707 16.8109 -8.31231 15.3699 -8.31232 -39.1159 GPRESSAVG: 3431600 20.4176 9.99189 12.0314 10.4588 15.6047 -9.08344 17.4165 -8.06772 -37.0384 TIMING: 3431600 CPU: 9945.96, 0.00289144/step Wall: 9945.96, 0.00289144/step, 1.25971 hours remaining, 211.066406 MB of memory in use. ENERGY: 3431600 766.1623 2109.0038 1947.3443 101.3992 -206666.1454 18056.8849 0.0000 0.0000 34057.3208 -149628.0302 297.4311 -183685.3509 -149526.7107 298.8770 4.7850 41.1286 556469.7235 -0.5547 -0.3387 PRESSURE: 3431800 -235.721 -64.0231 -106.478 -64.0221 -150.057 164.866 -106.478 164.867 -52.3679 GPRESSURE: 3431800 -213.841 3.72919 -105.564 -154.864 -123.49 170.587 -181.072 235.331 -8.87608 PRESSAVG: 3431800 24.2634 18.3822 6.17006 18.3822 32.7336 -19.0606 6.17012 -19.0605 -11.3227 GPRESSAVG: 3431800 25.1525 17.678 7.76722 17.5988 33.545 -18.0263 5.63655 -20.1514 -13.1604 TIMING: 3431800 CPU: 9946.54, 0.00288676/step Wall: 9946.54, 0.00288676/step, 1.2575 hours remaining, 211.066406 MB of memory in use. ENERGY: 3431800 748.8243 2188.6914 1938.1699 121.1463 -206399.5834 17780.0830 0.0000 0.0000 33879.6593 -149743.0092 295.8795 -183622.6685 -149650.1529 297.8313 -146.0486 -115.4021 556107.6201 15.2247 15.1790 PRESSURE: 3432000 -24.3372 39.9165 -26.4377 39.9173 -54.4583 -47.5182 -26.4374 -47.5166 -86.1866 GPRESSURE: 3432000 17.5209 11.1085 50.825 72.4855 -64.6494 5.92949 -75.4719 -9.29345 -22.9973 PRESSAVG: 3432000 -3.63435 57.6734 22.3031 57.6734 -24.4307 11.5393 22.3032 11.5394 39.5792 GPRESSAVG: 3432000 -4.5094 58.3957 23.1677 57.6056 -24.1025 10.8375 21.8947 12.7515 39.6233 TIMING: 3432000 CPU: 9947.12, 0.00288653/step Wall: 9947.12, 0.00288653/step, 1.25724 hours remaining, 211.066406 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: 3432000 766.8462 2060.1290 1919.4443 122.1556 -206810.7365 18012.3502 0.0000 0.0000 34202.7563 -149727.0549 298.7012 -183929.8112 -149630.7037 298.1941 -54.9940 -23.3753 557475.6773 3.8381 3.6705 PRESSURE: 3432200 161.368 -114.531 200.711 -114.53 63.0332 68.6417 200.711 68.6415 -25.5045 GPRESSURE: 3432200 169.513 -113.492 184.824 -21.7812 102.277 148.317 178.82 -51.0715 38.5414 PRESSAVG: 3432200 -7.31632 -29.0639 27.904 -29.0639 9.72042 -8.22828 27.904 -8.22819 22.7836 GPRESSAVG: 3432200 -6.31198 -28.3238 27.361 -27.8526 8.93656 -8.68957 27.0943 -7.85927 22.7465 TIMING: 3432200 CPU: 9947.69, 0.00288365/step Wall: 9947.69, 0.00288365/step, 1.25583 hours remaining, 211.066406 MB of memory in use. ENERGY: 3432200 733.9436 2128.7313 1954.7147 103.6431 -206632.7025 17920.8804 0.0000 0.0000 34219.3796 -149571.4096 298.8464 -183790.7892 -149474.1406 299.0684 66.2990 103.4437 557781.2208 8.3959 8.4570 LDB: ============= START OF LOAD BALANCING ============== 9951.08 LDB: ============== END OF LOAD BALANCING =============== 9951.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9951.08 LDB: ============= START OF LOAD BALANCING ============== 9951.37 LDB: Largest compute 4792 load 0.025998 is 22.0% of average load 0.117963 LDB: Average compute 0.001723 is 1.5% of average load 0.117963 LDB: TIME 9951.38 LOAD: AVG 0.117963 MAX 0.177949 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.984 MB LDB: TIME 9951.38 LOAD: AVG 0.117963 MAX 0.177949 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.984 MB LDB: TIME 9951.38 LOAD: AVG 0.117963 MAX 0.177949 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9951.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9951.38 PRESSURE: 3432400 -140.622 66.3523 93.1595 66.3523 -176.965 -146.034 93.1601 -146.034 -309.979 GPRESSURE: 3432400 -119.852 101.324 130.246 68.1759 -129.012 -80.6879 147.595 -139.591 -283.122 PRESSAVG: 3432400 -22.4168 -30.4697 77.9258 -30.4697 55.8944 -39.77 77.9259 -39.77 -47.9696 GPRESSAVG: 3432400 -23.2321 -30.6474 78.6265 -29.8085 56.8724 -40.1375 78.0322 -38.5923 -48.0559 TIMING: 3432400 CPU: 9948.29, 0.00295924/step Wall: 9948.29, 0.00295924/step, 1.28858 hours remaining, 210.351562 MB of memory in use. ENERGY: 3432400 721.8453 2089.3688 1986.8310 109.5804 -206124.6276 17480.8022 0.0000 0.0000 33961.2040 -149774.9960 296.5916 -183736.1999 -149673.8712 297.9628 -209.1886 -177.3286 556080.0908 -4.8307 -4.8052 PRESSURE: 3432600 235.398 -185.223 244.897 -185.223 71.4984 29.4826 244.896 29.4827 -115.962 GPRESSURE: 3432600 283.973 -115.891 223.458 -169.983 127.352 80.0046 312.024 55.1709 -126.766 PRESSAVG: 3432600 16.4495 -9.2064 92.6179 -9.20643 -63.9994 -17.8149 92.6179 -17.815 16.491 GPRESSAVG: 3432600 16.7575 -8.66515 90.6973 -10.918 -64.758 -17.137 93.7354 -18.7232 17.4263 TIMING: 3432600 CPU: 9948.87, 0.00291352/step Wall: 9948.87, 0.00291352/step, 1.26851 hours remaining, 210.351562 MB of memory in use. ENERGY: 3432600 768.7913 2073.0881 1924.7746 106.1196 -206791.3480 17942.9758 0.0000 0.0000 34072.7599 -149902.8388 297.5659 -183975.5986 -149797.6967 297.1615 63.6449 94.8531 554863.2845 -10.3530 -10.1914 PRESSURE: 3432800 104.121 -88.0083 -37.7181 -88.008 -226.727 -116.703 -37.7191 -116.702 104.042 GPRESSURE: 3432800 125.562 -145.348 -50.5929 -7.10814 -176.717 -159.817 -76.8408 -105.748 140.23 PRESSAVG: 3432800 19.2193 -43.7626 54.8171 -43.7626 -63.105 20.8511 54.8171 20.8511 45.2143 GPRESSAVG: 3432800 18.2907 -44.3838 56.3446 -41.2174 -61.4763 19.8421 53.8177 19.2974 44.1661 TIMING: 3432800 CPU: 9949.45, 0.00290884/step Wall: 9949.45, 0.00290884/step, 1.26632 hours remaining, 210.351562 MB of memory in use. ENERGY: 3432800 744.7742 2071.2524 1938.6530 106.7250 -206515.2048 17949.5965 0.0000 0.0000 33849.1731 -149855.0306 295.6132 -183704.2037 -149751.7735 296.8849 -6.1880 29.6919 556876.0896 0.4429 0.3268 PRESSURE: 3433000 -96.7261 121.99 -175.195 121.991 -231.635 -106.866 -175.194 -106.865 24.8115 GPRESSURE: 3433000 -66.8156 143.651 -186.285 143.461 -184.691 -95.1516 -84.6712 -128.257 49.2116 PRESSAVG: 3433000 64.8831 28.2192 15.17 28.2191 -57.6181 3.58852 15.17 3.58853 32.4385 GPRESSAVG: 3433000 64.8426 28.5595 16.0644 26.5896 -58.3894 4.10768 15.5597 4.71531 33.0477 TIMING: 3433000 CPU: 9950.03, 0.00290648/step Wall: 9950.03, 0.00290648/step, 1.26513 hours remaining, 210.351562 MB of memory in use. ENERGY: 3433000 744.5772 2060.5672 1950.4954 117.2256 -206388.3126 17578.5986 0.0000 0.0000 33954.2798 -149982.5689 296.5312 -183936.8487 -149881.1860 296.6139 -101.1831 -67.4316 556644.3583 13.2345 13.1670 PRESSURE: 3433200 69.2484 6.31066 153.346 6.31004 -138.803 60.421 153.345 60.4195 144.304 GPRESSURE: 3433200 41.1859 22.3027 173.684 -23.8449 -68.0679 168.297 159.464 87.1631 194.279 PRESSAVG: 3433200 60.4879 34.1142 -38.5097 34.1141 -103.502 32.4232 -38.5098 32.4232 7.38007 GPRESSAVG: 3433200 60.2416 34.0578 -36.6847 33.1839 -103.7 32.156 -38.7877 33.4222 8.57501 TIMING: 3433200 CPU: 9950.61, 0.00288911/step Wall: 9950.61, 0.00288911/step, 1.2574 hours remaining, 210.351562 MB of memory in use. ENERGY: 3433200 751.7871 2103.3251 1917.8837 113.8851 -206859.6519 18009.8716 0.0000 0.0000 34023.9730 -149938.9262 297.1398 -183962.8992 -149838.1810 297.6096 24.9166 55.7988 555895.9574 -11.8781 -11.6278 PRESSURE: 3433400 171.588 -11.4815 -164.191 -11.4812 -266.888 34.8945 -164.19 34.8958 191.685 GPRESSURE: 3433400 220.031 20.8768 -159.088 -73.317 -210.244 45.8922 -101.708 -55.8724 178.534 PRESSAVG: 3433400 52.4202 -5.36892 -5.80632 -5.36871 -75.5652 19.5636 -5.80622 19.5635 32.1365 GPRESSAVG: 3433400 53.0939 -4.67861 -9.08924 -5.75562 -74.5637 20.5082 -4.65751 18.2686 30.3747 TIMING: 3433400 CPU: 9951.19, 0.00291533/step Wall: 9951.19, 0.00291533/step, 1.26866 hours remaining, 210.351562 MB of memory in use. ENERGY: 3433400 759.8365 2057.6120 1957.1288 108.9791 -206718.9760 17862.9254 0.0000 0.0000 34171.6619 -149800.8323 298.4296 -183972.4942 -149709.9170 297.3962 32.1286 62.7737 555663.0259 2.9972 2.9683 PRESSURE: 3433600 54.0854 38.7246 20.6859 38.7248 -185.239 -65.0642 20.6854 -65.0623 -71.1777 GPRESSURE: 3433600 57.4443 4.04612 72.5868 83.7184 -150.177 -50.6152 -16.0643 -64.21 -9.93622 PRESSAVG: 3433600 17.1449 28.9066 -12.6847 28.9067 -79.5255 12.4264 -12.6847 12.4265 34.3401 GPRESSAVG: 3433600 16.011 26.3164 -13.5558 30.648 -79.0814 13.6463 -12.1942 11.1749 34.9228 TIMING: 3433600 CPU: 9951.77, 0.00289615/step Wall: 9951.77, 0.00289615/step, 1.26015 hours remaining, 210.351562 MB of memory in use. ENERGY: 3433600 777.5247 2136.4958 1956.5046 135.6749 -206587.3758 17745.4701 0.0000 0.0000 33964.9477 -149870.7580 296.6243 -183835.7057 -149775.8729 297.3496 -67.4439 -34.2230 554834.7301 -9.3468 -9.3825 PRESSURE: 3433800 140.931 17.1779 100.231 17.1795 -24.0541 -85.7713 100.233 -85.7722 -239.943 GPRESSURE: 3433800 150.924 -26.643 149.298 26.9332 -37.4023 -88.568 24.1967 -88.8318 -140.746 PRESSAVG: 3433800 60.216 42.1522 -12.2118 42.1522 -7.89033 -6.16963 -12.2117 -6.16964 -28.1263 GPRESSAVG: 3433800 60.0384 47.1363 -6.73929 40.6622 -7.03688 -7.05846 -15.5767 -7.07389 -28.2587 TIMING: 3433800 CPU: 9952.35, 0.00289691/step Wall: 9952.35, 0.00289691/step, 1.26032 hours remaining, 210.351562 MB of memory in use. ENERGY: 3433800 778.6810 2058.6191 1932.6528 131.6437 -206499.9459 17731.2140 0.0000 0.0000 34071.8871 -149795.2481 297.5583 -183867.1352 -149698.0934 297.5918 -41.0223 -9.0746 556015.7796 8.0665 8.2476 PRESSURE: 3434000 -58.9643 -11.9289 -173.059 -11.9301 -3.43797 78.7717 -173.06 78.7713 -214.995 GPRESSURE: 3434000 1.07068 -99.7779 -189.807 -80.8803 0.844868 127.058 -59.6523 81.7808 -180.058 PRESSAVG: 3434000 36.4339 4.34625 -61.8305 4.34631 -50.3437 -12.9776 -61.8305 -12.9776 -38.2608 GPRESSAVG: 3434000 37.0413 2.0014 -66.2021 5.1937 -51.937 -13.6479 -58.3664 -11.4652 -36.649 TIMING: 3434000 CPU: 9952.93, 0.00287807/step Wall: 9952.93, 0.00287807/step, 1.25196 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3434000 765.4507 2034.4053 1939.6867 112.5321 -206635.1393 17739.5894 0.0000 0.0000 34021.9315 -150021.5437 297.1220 -184043.4752 -149927.6799 297.7958 -92.4659 -59.3808 554629.3862 -17.3902 -17.1816 PRESSURE: 3434200 162.306 33.5468 -52.349 33.5465 -84.2716 89.251 -52.3498 89.2513 -57.1597 GPRESSURE: 3434200 170.519 -40.757 -36.806 121.141 -39.0554 88.0452 -112.762 90.2514 -2.30374 PRESSAVG: 3434200 37.5087 13.7947 -15.2394 13.7947 -6.57474 40.7511 -15.2395 40.7511 -19.3115 GPRESSAVG: 3434200 38.3216 11.2803 -14.3402 14.9057 -6.08324 39.9181 -16.1276 41.0743 -20.0926 TIMING: 3434200 CPU: 9953.51, 0.00288943/step Wall: 9953.51, 0.00288943/step, 1.25674 hours remaining, 210.351562 MB of memory in use. ENERGY: 3434200 783.4489 2133.3141 1968.5423 106.2745 -206671.6858 17811.7899 0.0000 0.0000 33928.9838 -149939.3322 296.3103 -183868.3160 -149849.1090 297.0685 6.9583 43.0533 555407.3671 3.8742 4.0486 PRESSURE: 3434400 -543.261 17.1082 -69.485 17.1083 -344.559 22.7496 -69.4856 22.7496 -122.943 GPRESSURE: 3434400 -485.017 49.1731 -88.1786 21.2094 -332.459 -11.5536 42.6748 83.4437 -102.034 PRESSAVG: 3434400 57.6581 21.1765 -18.2683 21.1765 -17.2693 46.5999 -18.2684 46.5999 -4.66911 GPRESSAVG: 3434400 57.1282 20.1301 -17.3302 20.6291 -18.1665 49.9109 -19.1319 45.5319 -3.60406 TIMING: 3434400 CPU: 9954.08, 0.00289409/step Wall: 9954.08, 0.00289409/step, 1.25861 hours remaining, 210.351562 MB of memory in use. ENERGY: 3434400 774.9221 2062.1656 1942.6756 118.8973 -206518.0708 17501.2920 0.0000 0.0000 34101.1744 -150016.9439 297.8140 -184118.1182 -149914.5607 297.8300 -336.9208 -306.5034 557485.5650 11.9066 11.7859 PRESSURE: 3434600 76.3735 -68.5557 11.9493 -68.5554 -4.0828 53.2213 11.9492 53.219 -126.123 GPRESSURE: 3434600 126.332 -88.71 -0.556947 -102.317 15.7562 84.7843 -69.3439 80.33 -98.7019 PRESSAVG: 3434600 5.65555 4.19583 19.5042 4.19581 16.4582 19.9255 19.5042 19.9254 -11.5596 GPRESSAVG: 3434600 5.53688 6.52744 18.0142 3.31781 17.2581 16.8631 19.9918 22.7773 -12.6515 TIMING: 3434600 CPU: 9954.67, 0.00291806/step Wall: 9954.67, 0.00291806/step, 1.26887 hours remaining, 210.351562 MB of memory in use. ENERGY: 3434600 796.7419 2059.3435 1949.4565 115.9466 -207083.4126 18097.8267 0.0000 0.0000 34139.9262 -149924.1713 298.1525 -184064.0975 -149826.8656 297.4609 -17.9440 14.4622 555091.5802 3.5181 3.3812 PRESSURE: 3434800 193.81 78.5794 3.40265 78.58 129.195 -33.9736 3.40384 -33.973 96.626 GPRESSURE: 3434800 325.586 14.8692 34.5306 80.048 69.5645 -14.6742 65.8643 -31.7393 117.89 PRESSAVG: 3434800 61.6217 4.01647 -18.1459 4.01652 -2.32524 34.8092 -18.146 34.8092 -18.2203 GPRESSAVG: 3434800 61.7375 4.16041 -15.8342 4.06518 -2.14932 36.2297 -18.7562 31.2696 -18.8354 TIMING: 3434800 CPU: 9955.25, 0.0028923/step Wall: 9955.25, 0.0028923/step, 1.25751 hours remaining, 210.351562 MB of memory in use. ENERGY: 3434800 709.4902 2141.8548 1965.5945 112.8052 -207033.5899 18132.1016 0.0000 0.0000 34076.7309 -149895.0128 297.6006 -183971.7437 -149812.2671 297.6510 139.8771 171.0133 555014.0142 13.6920 13.5842 PRESSURE: 3435000 -16.8352 -164.9 112.261 -164.898 203.549 113.471 112.262 113.469 149.443 GPRESSURE: 3435000 16.473 -180.114 166.463 -140.033 267.11 109.966 129.557 58.2998 150.038 PRESSAVG: 3435000 0.395439 16.6836 -9.79758 16.6836 10.6326 75.5555 -9.79758 75.5554 -56.7729 GPRESSAVG: 3435000 -0.650759 16.175 -12.1356 18.1374 10.3636 76.4768 -8.94185 76.3328 -55.8267 TIMING: 3435000 CPU: 9955.82, 0.0028737/step Wall: 9955.82, 0.0028737/step, 1.24926 hours remaining, 210.351562 MB of memory in use. ENERGY: 3435000 721.6642 2130.4091 1943.7550 122.9558 -206918.1180 18009.7197 0.0000 0.0000 34115.5058 -149874.1083 297.9392 -183989.6141 -149777.3941 297.5026 112.0522 144.5404 555865.9547 -15.2483 -15.3713 PRESSURE: 3435200 -2.98747 37.9635 3.7779 37.9641 107.56 103.555 3.77844 103.554 -2.82677 GPRESSURE: 3435200 20.5533 31.9836 70.5777 19.3574 93.087 114.061 -29.394 129.863 82.7236 PRESSAVG: 3435200 -27.5072 0.167644 59.8889 0.167655 12.3845 53.9088 59.8889 53.9088 44.2837 GPRESSAVG: 3435200 -27.2415 -0.234294 61.3339 0.548022 11.5538 53.5073 58.7086 53.1392 44.3874 TIMING: 3435200 CPU: 9956.4, 0.00288647/step Wall: 9956.4, 0.00288647/step, 1.25465 hours remaining, 210.351562 MB of memory in use. ENERGY: 3435200 729.9192 2119.1561 1917.6333 111.3399 -207206.7997 18110.0633 0.0000 0.0000 34261.3701 -149957.3178 299.2131 -184218.6879 -149856.2983 297.0177 33.9153 65.4546 555847.9152 9.7203 9.5666 PRESSURE: 3435400 -229.724 56.0228 6.30166 56.023 50.1413 77.3687 6.30231 77.369 -105.068 GPRESSURE: 3435400 -144.696 57.2222 53.6072 68.969 62.0422 29.7696 5.13047 69.6095 -101.237 PRESSAVG: 3435400 -37.1597 7.60881 10.7102 7.60872 36.3648 25.438 10.7102 25.4381 32.4218 GPRESSAVG: 3435400 -36.6615 6.95731 10.5781 6.5443 36.5615 25.9985 11.4932 25.1973 31.6709 TIMING: 3435400 CPU: 9956.98, 0.00288315/step Wall: 9956.98, 0.00288315/step, 1.25305 hours remaining, 210.351562 MB of memory in use. ENERGY: 3435400 715.6094 2067.7591 1974.0452 125.5001 -206661.6584 17572.2613 0.0000 0.0000 34259.5604 -149946.9230 299.1973 -184206.4833 -149853.7018 297.2332 -94.8837 -61.2971 554605.7070 10.5423 10.5237 PRESSURE: 3435600 -339.466 -6.04246 8.05245 -6.04208 -88.2063 59.8518 8.0522 59.8511 -57.9977 GPRESSURE: 3435600 -296.07 -2.3332 42.9183 -65.3196 -99.6132 119.101 0.178676 93.5081 -12.1857 PRESSAVG: 3435600 -5.77476 55.9541 -12.9191 55.954 -26.9435 67.0569 -12.919 67.057 22.275 GPRESSAVG: 3435600 -6.80653 58.7225 -13.274 54.9241 -25.7375 65.0529 -12.4909 67.7777 21.9232 TIMING: 3435600 CPU: 9957.56, 0.00290811/step Wall: 9957.56, 0.00290811/step, 1.26373 hours remaining, 210.351562 MB of memory in use. ENERGY: 3435600 745.3594 2056.1818 1971.9278 106.4737 -206602.2329 17633.9341 0.0000 0.0000 34153.3560 -149935.0002 298.2698 -184088.3562 -149844.6597 297.4619 -161.8900 -135.9564 555390.8310 -3.4811 -3.5403 PRESSURE: 3435800 -40.3544 126.156 61.1042 126.156 -12.1769 214.765 61.1043 214.766 99.9552 GPRESSURE: 3435800 -32.0633 41.4695 -9.60023 195.667 12.3178 154.466 59.9174 285.939 161.4 PRESSAVG: 3435800 -1.88712 -5.97822 26.2346 -5.97814 -29.2459 20.8764 26.2347 20.8763 -0.90594 GPRESSAVG: 3435800 -1.18064 -8.35032 25.8812 -4.91001 -30.4569 20.9052 26.6151 21.102 -0.188158 TIMING: 3435800 CPU: 9958.13, 0.0028868/step Wall: 9958.13, 0.0028868/step, 1.25431 hours remaining, 210.351562 MB of memory in use. ENERGY: 3435800 751.6263 2081.3307 1949.9997 113.8491 -207325.7568 18249.6859 0.0000 0.0000 34066.7623 -150112.5028 297.5135 -184179.2651 -150024.5565 297.8430 15.8080 47.2181 555623.4800 -10.6796 -10.6086 PRESSURE: 3436000 -211.369 -59.8318 174.079 -59.8322 248.172 199.07 174.079 199.071 7.27182 GPRESSURE: 3436000 -174.291 -30.6591 143.18 9.71125 257.418 260.024 19.936 91.8494 59.0917 PRESSAVG: 3436000 -16.1556 9.98559 64.6772 9.98563 -15.942 -10.8918 64.6772 -10.8918 41.6227 GPRESSAVG: 3436000 -16.4433 10.421 64.1306 7.67592 -16.1209 -9.61167 63.2609 -13.1256 42.5306 TIMING: 3436000 CPU: 9958.72, 0.00290681/step Wall: 9958.72, 0.00290682/step, 1.26285 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3436000 766.9951 2061.8425 1962.0924 128.4471 -206978.3903 18007.5674 0.0000 0.0000 33922.4798 -150128.9661 296.2535 -184051.4459 -150035.2420 296.6837 14.6917 47.4064 555252.7996 3.1750 3.3222 PRESSURE: 3436200 139.767 114.72 -54.1698 114.72 -218.88 -125.614 -54.1696 -125.612 24.7204 GPRESSURE: 3436200 182.204 127.235 -93.2721 123.626 -185.824 -104.673 -44.1478 -96.4573 57.8003 PRESSAVG: 3436200 4.18699 63.8322 -35.6601 63.8321 -64.9933 41.6001 -35.6602 41.6003 55.6986 GPRESSAVG: 3436200 4.44298 65.1549 -35.3986 63.3286 -65.1122 40.5242 -34.8776 42.57 55.4511 TIMING: 3436200 CPU: 9959.29, 0.00289226/step Wall: 9959.29, 0.00289226/step, 1.25636 hours remaining, 210.351562 MB of memory in use. ENERGY: 3436200 726.4357 2125.3783 1964.2929 112.7468 -206747.7456 17794.5911 0.0000 0.0000 34054.8006 -149969.5002 297.4090 -184024.3008 -149877.8117 297.5389 -18.1310 18.0600 555981.9175 -1.7025 -1.7393 LDB: ============= START OF LOAD BALANCING ============== 9962.68 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9962.68 LDB: =============== DONE WITH MIGRATION ================ 9962.68 LDB: ============= START OF LOAD BALANCING ============== 9962.97 LDB: Largest compute 4792 load 0.027209 is 23.1% of average load 0.117916 LDB: Average compute 0.001735 is 1.5% of average load 0.117916 LDB: TIME 9962.98 LOAD: AVG 0.117916 MAX 0.179045 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 9962.98 LOAD: AVG 0.117916 MAX 0.179045 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 9962.98 LOAD: AVG 0.117916 MAX 0.179045 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 9962.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9962.98 PRESSURE: 3436400 22.7564 -158.965 -125.278 -158.965 13.8688 -134.38 -125.278 -134.379 19.7836 GPRESSURE: 3436400 25.4103 -180.023 -116.055 -176.983 82.8272 -114.929 -117.583 -9.96682 46.4057 PRESSAVG: 3436400 -23.1405 4.96554 32.604 4.96555 30.5394 -8.81993 32.6041 -8.81997 16.7183 GPRESSAVG: 3436400 -23.8697 5.68818 31.9842 6.09055 32.1975 -11.2303 34.0317 -5.6614 15.6117 TIMING: 3436400 CPU: 9959.89, 0.00296376/step Wall: 9959.89, 0.00296376/step, 1.28726 hours remaining, 211.632812 MB of memory in use. ENERGY: 3436400 756.0075 2102.5571 1924.1039 110.6423 -206982.7081 18117.9623 0.0000 0.0000 34200.8407 -149770.5943 298.6844 -183971.4350 -149680.5836 297.5954 18.8029 51.5477 557720.7528 8.0391 7.9798 PRESSURE: 3436600 12.9413 93.106 -69.9401 93.1066 -240.781 -102.03 -69.9396 -102.029 -124.247 GPRESSURE: 3436600 60.8845 26.0655 -64.7603 158.702 -215.061 -142.74 -144.617 -152.294 -102.432 PRESSAVG: 3436600 1.59744 -26.406 43.2023 -26.4059 -17.4847 -68.5764 43.2023 -68.5765 15.2145 GPRESSAVG: 3436600 1.07907 -28.7041 43.6407 -24.9175 -17.0622 -70.4597 40.7532 -66.8519 15.4785 TIMING: 3436600 CPU: 9960.47, 0.00291206/step Wall: 9960.47, 0.00291206/step, 1.26464 hours remaining, 211.703125 MB of memory in use. ENERGY: 3436600 733.2947 2037.5037 1942.9132 117.1842 -206093.0918 17461.5149 0.0000 0.0000 34049.9398 -149750.7414 297.3666 -183800.6812 -149648.0485 297.5191 -117.3623 -85.5360 557149.9259 -0.2242 -0.1682 PRESSURE: 3436800 112.438 -120.023 -76.7998 -120.023 151.591 144.92 -76.7997 144.921 116.196 GPRESSURE: 3436800 200.714 -144.752 -170.746 -145.315 189.155 67.9646 -91.5309 175.478 87.0738 PRESSAVG: 3436800 -6.68254 7.63483 -31.9924 7.63483 57.1963 31.1361 -31.9924 31.136 -18.9471 GPRESSAVG: 3436800 -3.90362 9.30844 -32.5393 7.43631 55.6776 34.0536 -29.5505 28.686 -20.0855 TIMING: 3436800 CPU: 9961.05, 0.00290346/step Wall: 9961.05, 0.00290346/step, 1.26075 hours remaining, 211.703125 MB of memory in use. ENERGY: 3436800 760.2775 2118.2527 1926.2382 118.2199 -206636.9154 18027.4710 0.0000 0.0000 34138.7210 -149547.7351 298.1419 -183686.4561 -149454.5533 298.0004 126.7416 158.9809 556291.9103 10.5222 10.5628 PRESSURE: 3437000 -271.604 -70.4634 -22.2847 -70.4627 -266.45 -123.185 -22.2842 -123.185 -201.166 GPRESSURE: 3437000 -291.029 -70.4934 60.5343 -110.633 -209.399 -96.3227 -33.8791 -87.6197 -139.644 PRESSAVG: 3437000 -8.34827 -4.08141 51.4945 -4.08148 51.0859 22.3255 51.4945 22.3255 -17.2247 GPRESSAVG: 3437000 -9.93045 -2.59188 52.9371 -4.64125 51.2533 22.4875 49.7564 20.8584 -15.6662 TIMING: 3437000 CPU: 9961.63, 0.00290681/step Wall: 9961.63, 0.00290681/step, 1.26204 hours remaining, 211.703125 MB of memory in use. ENERGY: 3437000 750.4369 2106.2277 1949.3061 120.8081 -205811.3242 17449.6377 0.0000 0.0000 34149.6170 -149285.2907 298.2371 -183434.9077 -149191.7277 298.4082 -246.4069 -213.3571 559056.5506 8.5043 8.5522 PRESSURE: 3437200 147.654 -126.346 158.226 -126.346 95.1611 54.7792 158.226 54.7807 -271.721 GPRESSURE: 3437200 111.907 -156.568 78.4805 -96.5209 204.591 -32.3401 89.8101 63.1678 -263.499 PRESSAVG: 3437200 -38.165 29.5194 42.4995 29.5195 0.0214045 -28.5992 42.4996 -28.5993 -18.7225 GPRESSAVG: 3437200 -36.9209 27.1409 39.5228 30.737 0.0844859 -29.3417 42.5113 -27.7624 -19.544 TIMING: 3437200 CPU: 9962.21, 0.00289577/step Wall: 9962.21, 0.00289577/step, 1.25709 hours remaining, 211.703125 MB of memory in use. ENERGY: 3437200 719.1462 2143.1948 1924.1439 116.5626 -206100.2691 17708.7616 0.0000 0.0000 34193.5290 -149294.9310 298.6206 -183488.4601 -149201.4351 298.6999 -9.6354 17.6662 556648.9702 -18.9554 -18.7935 PRESSURE: 3437400 77.613 -45.4727 65.6001 -45.4724 -89.3814 -77.1349 65.6016 -77.1346 -157.725 GPRESSURE: 3437400 141.731 -99.2785 187.183 -8.16303 -67.9819 -104.072 129.762 -121.729 -137.686 PRESSAVG: 3437400 87.8194 -20.9439 25.9106 -20.9438 -44.4602 -48.4407 25.9105 -48.4408 -59.6295 GPRESSAVG: 3437400 87.6162 -20.1655 25.0069 -21.2233 -44.6245 -48.8367 27.9823 -46.9622 -58.866 TIMING: 3437400 CPU: 9962.79, 0.00288469/step Wall: 9962.79, 0.00288469/step, 1.25211 hours remaining, 211.703125 MB of memory in use. ENERGY: 3437400 733.7478 2066.9878 1976.2200 126.5926 -206520.3051 17966.2677 0.0000 0.0000 34301.3161 -149349.1730 299.5619 -183650.4891 -149255.0921 298.8812 -56.4978 -21.3124 558322.9009 -5.4234 -5.2914 PRESSURE: 3437600 -228.223 -159.093 24.5685 -159.093 -117.789 7.77503 24.5693 7.77545 56.4537 GPRESSURE: 3437600 -242.134 -229.479 41.3357 -106.875 -76.5508 -3.01516 3.97067 7.50287 115.316 PRESSAVG: 3437600 39.4713 -27.3861 19.8915 -27.3861 -31.2949 -49.5061 19.8914 -49.5061 -20.5773 GPRESSAVG: 3437600 39.8463 -26.1274 22.1086 -28.8597 -31.7962 -48.9017 18.0616 -50.6413 -19.8502 TIMING: 3437600 CPU: 9963.37, 0.00289357/step Wall: 9963.37, 0.00289357/step, 1.25581 hours remaining, 211.703125 MB of memory in use. ENERGY: 3437600 733.8788 2109.4813 1981.0807 117.5381 -206250.6580 17637.8944 0.0000 0.0000 34472.0218 -149198.7628 301.0527 -183670.7847 -149094.8854 299.6421 -96.5195 -67.7896 558228.5996 -4.1336 -3.9334 PRESSURE: 3437800 74.0009 -75.3369 199.996 -75.3364 -85.9928 -113.809 199.996 -113.809 29.0394 GPRESSURE: 3437800 119.966 -117.569 193.337 -24.6386 -64.1393 -101.278 209.353 -122.491 54.2768 PRESSAVG: 3437800 65.6394 -38.3986 -10.0282 -38.3987 -33.6842 -50.4596 -10.0283 -50.4595 52.3798 GPRESSAVG: 3437800 65.9915 -39.2785 -9.15175 -37.6208 -33.9939 -52.1302 -10.6838 -49.2156 53.0268 TIMING: 3437800 CPU: 9963.94, 0.00288397/step Wall: 9963.94, 0.00288397/step, 1.25148 hours remaining, 211.703125 MB of memory in use. ENERGY: 3437800 758.2119 2081.6262 1952.3179 96.6433 -206002.3383 17737.9583 0.0000 0.0000 34288.3273 -149087.2533 299.4485 -183375.5807 -148991.1730 299.4903 5.6825 36.7012 557151.8069 28.1117 28.3415 PRESSURE: 3438000 -63.8042 -23.75 -30.4305 -23.7499 19.2085 -79.17 -30.4315 -79.1704 -97.5205 GPRESSURE: 3438000 -10.5034 41.7427 29.5002 36.8191 28.8201 -149.657 20.2501 94.4214 -66.145 PRESSAVG: 3438000 41.0394 -0.499272 10.7226 -0.499288 8.33687 19.6553 10.7227 19.6552 -49.047 GPRESSAVG: 3438000 40.1577 -0.0149533 8.40204 -0.630705 9.5592 21.7626 13.1753 18.326 -49.872 TIMING: 3438000 CPU: 9964.52, 0.00288234/step Wall: 9964.52, 0.00288234/step, 1.25062 hours remaining, 211.703125 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: 3438000 771.4059 2145.7460 1958.1313 115.6997 -206271.0853 17866.3872 0.0000 0.0000 34196.5435 -149217.1716 298.6469 -183413.7151 -149125.8258 299.5035 -47.3721 -15.9428 557763.7578 0.1098 -0.0517 PRESSURE: 3438200 142.474 -73.9166 212.677 -73.9145 67.6185 -170.477 212.677 -170.476 -410.135 GPRESSURE: 3438200 168.83 -81.5831 194.356 -143.708 101.121 -171 263.143 -197.803 -376.555 PRESSAVG: 3438200 59.0927 16.9451 5.98542 16.9452 -7.34794 0.332036 5.98539 0.332055 -77.421 GPRESSAVG: 3438200 59.3693 14.5396 6.8324 17.507 -8.00117 1.63744 5.03662 -0.966987 -77.2669 TIMING: 3438200 CPU: 9965.1, 0.002891/step Wall: 9965.1, 0.002891/step, 1.25421 hours remaining, 211.906250 MB of memory in use. ENERGY: 3438200 755.3793 2035.6706 1968.5000 133.1321 -206298.3877 17756.2161 0.0000 0.0000 34290.2958 -149359.1938 299.4657 -183649.4896 -149263.7346 299.3356 -66.6805 -35.5350 559682.2302 -8.5588 -8.6329 PRESSURE: 3438400 220.83 39.6035 27.592 39.6038 38.0755 -37.3329 27.5926 -37.3323 -180.546 GPRESSURE: 3438400 205.835 19.2493 61.3052 54.1097 44.8517 -111.821 52.1786 -39.6036 -85.6342 PRESSAVG: 3438400 -3.57448 -43.2111 41.5323 -43.211 52.8507 -11.9717 41.5323 -11.9717 -56.1686 GPRESSAVG: 3438400 -3.62948 -40.6292 41.4197 -44.7829 52.9263 -16.0423 42.4967 -8.32293 -56.6135 TIMING: 3438400 CPU: 9965.68, 0.00290373/step Wall: 9965.68, 0.00290373/step, 1.25957 hours remaining, 211.906250 MB of memory in use. ENERGY: 3438400 708.4623 2064.9116 1965.3625 111.7281 -206477.1267 18032.0235 0.0000 0.0000 34212.1859 -149382.4527 298.7835 -183594.6387 -149282.4948 298.7168 26.1199 55.0176 559892.4719 -2.2975 -2.4389 PRESSURE: 3438600 -31.6597 -79.917 -30.9676 -79.9175 -171.123 -4.53947 -30.9668 -4.5396 -533.06 GPRESSURE: 3438600 -8.15913 -79.2498 -1.42941 -82.0953 -154.812 73.2732 0.963255 -21.3162 -478.962 PRESSAVG: 3438600 22.0657 -64.893 -20.5148 -64.8929 -21.1803 17.0555 -20.5148 17.0557 -39.3703 GPRESSAVG: 3438600 23.2842 -67.2459 -19.1081 -64.8856 -21.4202 18.3941 -20.5356 15.8314 -40.2344 TIMING: 3438600 CPU: 9966.26, 0.00293075/step Wall: 9966.26, 0.00293075/step, 1.27113 hours remaining, 211.906250 MB of memory in use. ENERGY: 3438600 754.1171 2114.1914 1953.3558 112.6611 -206157.2026 17748.2544 0.0000 0.0000 34087.3201 -149387.3027 297.6930 -183474.6228 -149284.2001 299.3874 -245.2810 -213.9775 559512.0416 -12.8283 -12.7902 PRESSURE: 3438800 -27.2206 -28.2747 -13.0844 -28.2748 -37.712 14.9476 -13.0833 14.947 126.163 GPRESSURE: 3438800 -39.1959 -26.4101 15.7886 -50.2194 10.4177 51.8083 -31.1735 -23.8643 197.917 PRESSAVG: 3438800 16.1975 -16.9087 -28.9495 -16.9088 -3.65832 28.1394 -28.9495 28.1393 -41.2614 GPRESSAVG: 3438800 13.8077 -17.581 -28.7504 -14.6931 -3.14037 27.3486 -28.9033 28.3706 -39.2597 TIMING: 3438800 CPU: 9966.85, 0.00291413/step Wall: 9966.85, 0.00291413/step, 1.26376 hours remaining, 211.906250 MB of memory in use. ENERGY: 3438800 733.7003 2175.6363 1935.1177 108.5872 -206118.3457 17727.2341 0.0000 0.0000 34080.9945 -149357.0757 297.6378 -183438.0701 -149268.6901 298.4579 20.4102 56.3796 558006.6750 -9.5741 -9.5308 PRESSURE: 3439000 -187.456 -25.8465 4.13723 -25.8476 197.025 -43.419 4.13596 -43.4182 -221.248 GPRESSURE: 3439000 -161.99 -96.5259 39.5513 35.731 230.782 -20.1055 -48.9619 -13.5724 -203.314 PRESSAVG: 3439000 11.4336 -64.6969 17.2889 -64.6968 -17.8954 -14.5448 17.2889 -14.5448 17.6276 GPRESSAVG: 3439000 11.8395 -63.2714 17.4853 -65.675 -16.4825 -11.3484 16.2842 -16.1363 16.0785 TIMING: 3439000 CPU: 9967.42, 0.00288677/step Wall: 9967.42, 0.00288676/step, 1.25173 hours remaining, 211.906250 MB of memory in use. ENERGY: 3439000 788.0422 2085.2970 1947.5019 122.6313 -206307.4305 17925.7644 0.0000 0.0000 34253.7904 -149184.4034 299.1469 -183438.1938 -149098.6193 299.3329 -70.5597 -44.8406 559564.5120 3.7219 3.8118 PRESSURE: 3439200 56.8852 -27.1786 -128.075 -27.1789 3.81766 -48.5323 -128.075 -48.5306 91.9301 GPRESSURE: 3439200 152.681 -82.831 -128.59 29.5116 -11.8172 -25.3337 -124.503 -10.2168 95.3045 PRESSAVG: 3439200 59.8792 -30.7507 1.47785 -30.7508 72.3188 20.2044 1.47782 20.2043 -87.2447 GPRESSAVG: 3439200 59.7078 -29.5635 3.00611 -30.2377 71.2411 17.1811 1.87637 20.954 -86.3905 TIMING: 3439200 CPU: 9968.01, 0.00291352/step Wall: 9968.01, 0.00291352/step, 1.26317 hours remaining, 211.906250 MB of memory in use. ENERGY: 3439200 704.0783 2112.0688 1948.3195 109.1152 -206468.5950 17960.9672 0.0000 0.0000 34383.8765 -149250.1695 300.2829 -183634.0460 -149146.6696 298.6588 50.8777 78.7228 557800.6678 14.9844 14.8528 PRESSURE: 3439400 -75.7726 -59.1699 -155.107 -59.1702 -34.0454 -124.406 -155.106 -124.406 20.964 GPRESSURE: 3439400 57.9022 6.38723 -174.516 -100.496 -79.6428 -94.964 -203.446 -70.415 23.0473 PRESSAVG: 3439400 20.6367 -61.313 18.181 -61.3129 5.79766 -17.6027 18.181 -17.6026 -22.1469 GPRESSAVG: 3439400 20.7723 -61.8717 15.265 -61.7863 5.85045 -18.2243 18.2693 -16.8313 -22.7931 TIMING: 3439400 CPU: 9968.59, 0.00289347/step Wall: 9968.59, 0.00289347/step, 1.25432 hours remaining, 211.906250 MB of memory in use. ENERGY: 3439400 756.1743 2073.3630 1951.7331 99.7748 -206387.8492 17854.4734 0.0000 0.0000 34278.9973 -149373.3333 299.3670 -183652.3305 -149269.2011 299.0193 -29.6180 0.4356 557820.6267 1.4291 1.2766 PRESSURE: 3439600 67.7292 -24.3598 -61.0101 -24.3592 -121.854 -91.0319 -61.0106 -91.0322 -30.2704 GPRESSURE: 3439600 132.436 -87.343 -93.1075 27.0261 -179.957 -20.0046 -9.52699 -147.781 50.6643 PRESSAVG: 3439600 -34.0559 11.9353 -52.3641 11.9353 0.293522 -81.7349 -52.364 -81.7349 2.13224 GPRESSAVG: 3439600 -34.3862 9.86902 -51.79 12.5802 -0.583633 -80.6311 -53.6731 -81.8964 3.1548 TIMING: 3439600 CPU: 9969.17, 0.00292338/step Wall: 9969.17, 0.00292338/step, 1.26712 hours remaining, 211.906250 MB of memory in use. ENERGY: 3439600 745.3695 2105.9803 1963.9821 112.8921 -206524.8744 17902.4693 0.0000 0.0000 34104.2470 -149589.9341 297.8409 -183694.1810 -149499.8836 298.2336 -28.1318 1.0480 559007.2192 -10.5434 -10.6050 PRESSURE: 3439800 52.3802 -110.362 86.4835 -110.362 -340.465 30.9185 86.4816 30.9197 -221.824 GPRESSURE: 3439800 64.4235 -70.7551 75.6255 -88.6581 -290.387 -9.99192 102.327 38.223 -184.788 PRESSAVG: 3439800 -7.64139 -22.4273 14.521 -22.4272 -11.6224 18.8111 14.5209 18.811 -9.24006 GPRESSAVG: 3439800 -7.79485 -20.7786 14.3355 -22.1218 -10.9968 20.564 17.4352 17.7272 -9.82481 TIMING: 3439800 CPU: 9969.75, 0.00289479/step Wall: 9969.75, 0.00289479/step, 1.25457 hours remaining, 211.906250 MB of memory in use. ENERGY: 3439800 746.8858 2091.2250 1941.1388 114.1037 -206487.6352 17714.9279 0.0000 0.0000 34275.8383 -149603.5158 299.3394 -183879.3541 -149502.9250 298.5716 -169.9695 -136.9171 558271.9896 -9.5013 -9.5388 PRESSURE: 3440000 291.835 -59.3979 13.8622 -59.3977 -137.884 -69.6155 13.8623 -69.6167 -282.422 GPRESSURE: 3440000 311.673 -20.5412 -0.517246 -51.457 -71.3926 -52.4745 53.6377 -112.37 -270.301 PRESSAVG: 3440000 35.1016 27.0935 -14.0812 27.0934 18.9588 -41.0683 -14.0812 -41.0683 -51.2446 GPRESSAVG: 3440000 35.537 27.8662 -12.5464 25.4763 18.7806 -40.504 -16.4483 -41.4151 -51.9392 TIMING: 3440000 CPU: 9970.33, 0.00289067/step Wall: 9970.33, 0.00289067/step, 1.25263 hours remaining, 211.906250 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 743.6371 2073.1083 1945.5370 97.9549 -206336.4551 17874.9317 0.0000 0.0000 34192.5900 -149408.6961 298.6124 -183601.2862 -149317.0328 299.0004 -42.8237 -10.0071 558570.0097 0.9386 0.7928 PRESSURE: 3440200 -35.3836 167.797 31.2148 167.797 -23.3858 91.6266 31.2137 91.626 -98.259 GPRESSURE: 3440200 39.875 203.666 -44.8251 89.0303 -36.6329 -3.45691 57.887 45.3905 -66.925 PRESSAVG: 3440200 28.5037 3.28577 1.95893 3.28574 11.566 -34.2095 1.9589 -34.2095 -57.3502 GPRESSAVG: 3440200 27.787 2.62668 0.85793 3.72961 11.852 -35.2468 4.95719 -30.5982 -56.7917 TIMING: 3440200 CPU: 9970.91, 0.00289596/step Wall: 9970.91, 0.00289596/step, 1.25475 hours remaining, 211.906250 MB of memory in use. ENERGY: 3440200 771.0673 2138.1649 1968.5827 124.7115 -206580.2680 17914.5794 0.0000 0.0000 34357.1319 -149306.0302 300.0494 -183663.1621 -149207.9911 299.2127 -52.3428 -21.2277 558628.0776 -5.7601 -5.7176 LDB: ============= START OF LOAD BALANCING ============== 9974.29 LDB: ============== END OF LOAD BALANCING =============== 9974.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9974.3 LDB: ============= START OF LOAD BALANCING ============== 9974.58 LDB: Largest compute 4792 load 0.027719 is 23.5% of average load 0.117982 LDB: Average compute 0.001732 is 1.5% of average load 0.117982 LDB: TIME 9974.59 LOAD: AVG 0.117982 MAX 0.179658 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 9974.59 LOAD: AVG 0.117982 MAX 0.179658 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 9974.59 LOAD: AVG 0.117982 MAX 0.179658 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 9974.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9974.59 PRESSURE: 3440400 257.822 129.122 97.7106 129.122 343.259 -128.559 97.7084 -128.559 -52.477 GPRESSURE: 3440400 246.36 139.141 121.384 140.545 395.738 -73.4423 100.391 -162.704 13.4568 PRESSAVG: 3440400 -4.88788 25.954 12.5158 25.9541 -54.6561 -21.4417 12.5158 -21.4417 34.6263 GPRESSAVG: 3440400 -5.84031 24.9408 12.7143 25.838 -54.2578 -21.7835 10.2712 -24.0325 35.5848 TIMING: 3440400 CPU: 9971.5, 0.00295097/step Wall: 9971.5, 0.00295097/step, 1.27842 hours remaining, 210.921875 MB of memory in use. ENERGY: 3440400 699.5112 2139.8375 1970.9259 108.9920 -206753.8580 18182.1117 0.0000 0.0000 34179.6309 -149472.8489 298.4992 -183652.4798 -149377.1057 298.3882 182.8681 218.5184 557645.6886 -8.3059 -8.1711 PRESSURE: 3440600 286.536 -19.5274 -90.3598 -19.5281 -74.913 -20.0511 -90.3603 -20.0501 19.453 GPRESSURE: 3440600 276.136 -67.459 -17.83 72.9815 16.344 -57.0288 -72.3484 -45.4151 43.5107 PRESSAVG: 3440600 -25.7478 23.5756 4.34417 23.5756 -21.1439 -16.5079 4.34424 -16.5078 95.9012 GPRESSAVG: 3440600 -25.6883 22.1185 3.58456 25.1914 -22.316 -16.6603 4.78451 -15.6275 97.0579 TIMING: 3440600 CPU: 9972.08, 0.00289001/step Wall: 9972.08, 0.00289001/step, 1.25186 hours remaining, 211.121094 MB of memory in use. ENERGY: 3440600 708.7936 2142.9755 1932.9263 122.3253 -206458.9043 18026.8259 0.0000 0.0000 34118.5696 -149406.4880 297.9660 -183525.0576 -149314.7792 298.8172 77.0253 111.9970 557769.3046 16.3365 16.3512 PRESSURE: 3440800 -151.312 15.7941 38.5978 15.7958 -56.2685 46.4341 38.5984 46.4353 16.158 GPRESSURE: 3440800 -123.691 69.1834 7.29615 -20.6015 9.81293 -11.4169 -3.7559 118.48 29.8551 PRESSAVG: 3440800 -11.0453 -15.0887 3.11113 -15.0886 -2.80354 7.92508 3.11123 7.92506 -22.7404 GPRESSAVG: 3440800 -9.93905 -11.8804 4.45788 -16.218 -2.296 7.90264 1.41573 5.90271 -24.6788 TIMING: 3440800 CPU: 9972.65, 0.00288796/step Wall: 9972.65, 0.00288796/step, 1.25081 hours remaining, 211.121094 MB of memory in use. ENERGY: 3440800 768.6349 2053.1366 1953.9865 121.8666 -206002.9498 17612.7007 0.0000 0.0000 34111.9259 -149380.6985 297.9079 -183492.6244 -149285.7782 298.4403 -63.8077 -28.0075 557416.2615 -12.1964 -12.3046 PRESSURE: 3441000 -79.7365 -50.8002 -9.74597 -50.8003 48.3538 -22.1733 -9.74566 -22.173 -189.416 GPRESSURE: 3441000 -40.0507 -15.6455 13.1238 -35.0409 70.9799 -36.4444 -15.2808 -13.0798 -157.358 PRESSAVG: 3441000 -77.3277 35.1382 -29.5704 35.1381 59.5978 72.5182 -29.5705 72.5184 2.78448 GPRESSAVG: 3441000 -78.3031 33.969 -30.5494 35.5511 59.1751 72.8119 -27.739 73.2887 3.63402 TIMING: 3441000 CPU: 9973.23, 0.00291039/step Wall: 9973.23, 0.00291039/step, 1.26036 hours remaining, 211.121094 MB of memory in use. ENERGY: 3441000 771.8265 2069.9351 1949.8103 102.5863 -205986.5143 17707.2752 0.0000 0.0000 34123.7990 -149261.2818 298.0116 -183385.0808 -149167.4682 298.9289 -73.5995 -42.1430 556623.1209 -4.9818 -5.1646 PRESSURE: 3441200 -63.7256 22.0383 -19.6141 22.0389 401.741 -111.871 -19.6132 -111.872 -177.21 GPRESSURE: 3441200 -65.7243 53.7559 -3.38883 34.4684 453.878 -227.773 34.1306 -53.0455 -126.814 PRESSAVG: 3441200 -75.9792 27.6918 -29.2946 27.6918 49.5962 17.9206 -29.2947 17.9206 26.0066 GPRESSAVG: 3441200 -76.4587 28.0372 -30.7723 27.8904 49.644 17.8593 -29.6879 19.9444 25.5233 TIMING: 3441200 CPU: 9973.82, 0.00290198/step Wall: 9973.82, 0.00290198/step, 1.25656 hours remaining, 211.121094 MB of memory in use. ENERGY: 3441200 776.7369 2022.9503 1962.8445 106.8304 -206626.2950 18020.1956 0.0000 0.0000 34394.9657 -149341.7716 300.3798 -183736.7373 -149242.5393 298.3638 53.6016 87.1135 556873.7989 -0.1255 -0.4305 PRESSURE: 3441400 -18.6159 60.5062 -6.0751 60.5061 -9.51213 57.2904 -6.07375 57.2916 -217.335 GPRESSURE: 3441400 6.11139 67.651 54.5664 60.5039 58.4086 3.3364 -3.76151 49.2538 -218.865 PRESSAVG: 3441400 -39.8564 49.6734 -87.6142 49.6734 5.84708 -27.1449 -87.6143 -27.1449 7.66712 GPRESSAVG: 3441400 -39.4719 47.885 -86.2451 50.5834 4.47693 -26.3003 -89.4331 -29.3394 8.75143 TIMING: 3441400 CPU: 9974.39, 0.0028953/step Wall: 9974.39, 0.0028953/step, 1.2535 hours remaining, 211.121094 MB of memory in use. ENERGY: 3441400 738.9014 2127.0973 1956.8426 114.7835 -206145.2823 17723.8642 0.0000 0.0000 34350.7784 -149133.0148 299.9939 -183483.7933 -149046.1812 298.8339 -81.8210 -51.4483 557615.1978 -8.7807 -8.7478 PRESSURE: 3441600 4.4358 57.7257 -9.3624 57.7254 99.2354 -23.9343 -9.36364 -23.9351 185.703 GPRESSURE: 3441600 16.3767 34.6359 -5.78211 7.93497 129.186 5.4902 -15.473 -66.0105 252.362 PRESSAVG: 3441600 -0.411838 65.9209 -20.4244 65.921 -19.2428 -10.7441 -20.4244 -10.744 15.5022 GPRESSAVG: 3441600 -0.126632 66.7499 -20.3972 63.1795 -19.0915 -10.018 -20.7877 -11.0401 15.8144 TIMING: 3441600 CPU: 9974.97, 0.0029001/step Wall: 9974.97, 0.0029001/step, 1.25542 hours remaining, 211.121094 MB of memory in use. ENERGY: 3441600 722.1811 2095.6989 1962.5780 125.3684 -205953.2519 17850.4583 0.0000 0.0000 34338.9309 -148858.0362 299.8904 -183196.9672 -148761.2057 299.7770 96.4582 132.6415 556884.0920 -1.3841 -1.1346 PRESSURE: 3441800 -205.763 -107.235 48.1069 -107.235 -301.357 27.3815 48.107 27.3817 -98.1711 GPRESSURE: 3441800 -169.03 -81.0606 20.0755 -125.953 -282.448 82.1269 90.7161 72.0359 -70.8916 PRESSAVG: 3441800 -4.59575 -6.73301 -33.5406 -6.73304 -17.1764 -16.3148 -33.5407 -16.3148 -11.3484 GPRESSAVG: 3441800 -6.07105 -7.29736 -35.1846 -6.26361 -15.5496 -18.1863 -31.0251 -14.2894 -11.5747 TIMING: 3441800 CPU: 9975.55, 0.00288037/step Wall: 9975.55, 0.00288037/step, 1.24672 hours remaining, 211.121094 MB of memory in use. ENERGY: 3441800 805.0971 2069.4768 1949.7706 115.2984 -206229.7292 17857.0611 0.0000 0.0000 34313.9961 -149119.0291 299.6727 -183433.0252 -149019.1314 299.9844 -201.7638 -174.1231 557091.5127 -11.0402 -11.0651 PRESSURE: 3442000 27.4003 -51.8808 144.985 -51.8807 -33.4949 122.166 144.986 122.164 -186.287 GPRESSURE: 3442000 -11.2315 -45.501 150.48 -54.6532 9.03434 151.576 103.07 88.7709 -86.3968 PRESSAVG: 3442000 39.0616 28.6015 0.873628 28.6016 -18.3715 40.6625 0.873596 40.6625 32.4306 GPRESSAVG: 3442000 40.1907 29.4535 2.10048 29.1111 -19.2746 42.5512 0.922295 38.7389 32.3384 TIMING: 3442000 CPU: 9976.13, 0.00288844/step Wall: 9976.13, 0.00288844/step, 1.25005 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3442000 720.0378 2154.4103 1952.0259 123.1187 -206155.2836 17692.2197 0.0000 0.0000 34371.6031 -149141.8682 300.1758 -183513.4713 -149048.5846 299.9133 -64.1272 -29.5313 557111.3366 17.7069 17.7515 PRESSURE: 3442200 201.576 -38.5009 7.6236 -38.5014 -74.3164 -52.9687 7.62318 -52.9694 70.0272 GPRESSURE: 3442200 238.172 -88.6179 -44.445 -99.5239 -35.4079 37.6068 -62.6844 -103.352 93.2031 PRESSAVG: 3442200 34.0994 -71.6408 -11.4791 -71.6408 17.1718 67.7749 -11.4792 67.7749 -26.3797 GPRESSAVG: 3442200 33.4331 -71.2459 -13.6841 -72.3338 17.6492 66.3962 -12.3735 68.7433 -26.2215 TIMING: 3442200 CPU: 9976.71, 0.00289845/step Wall: 9976.71, 0.00289845/step, 1.25422 hours remaining, 211.121094 MB of memory in use. ENERGY: 3442200 777.5827 2112.6241 1950.5164 105.4801 -206120.0613 17816.5047 0.0000 0.0000 34414.1694 -148943.1839 300.5475 -183357.3534 -148846.6637 300.5069 65.7623 98.6557 556255.1502 8.2972 8.2869 PRESSURE: 3442400 17.1 -47.5024 -37.9647 -47.5016 102.214 -117.874 -37.9638 -117.873 219.265 GPRESSURE: 3442400 47.2442 -102.213 -30.5726 39.9182 166.698 -112.614 -47.0636 -183.043 218.323 PRESSAVG: 3442400 -40.8466 -14.593 0.258083 -14.593 30.4727 53.7554 0.2581 53.7556 -15.5329 GPRESSAVG: 3442400 -41.1778 -16.1728 3.70507 -14.29 30.1712 53.3843 -1.69451 55.6981 -15.1667 TIMING: 3442400 CPU: 9977.3, 0.00293907/step Wall: 9977.3, 0.00293907/step, 1.27164 hours remaining, 211.121094 MB of memory in use. ENERGY: 3442400 729.4544 2084.6386 1947.0668 108.6091 -206378.8285 18104.9805 0.0000 0.0000 34467.0350 -148937.0440 301.0092 -183404.0790 -148839.7336 300.4160 112.8594 144.0882 559069.5030 -8.6356 -8.7244 PRESSURE: 3442600 -297.668 123.778 -249.356 123.778 20.2316 149.439 -249.356 149.441 55.7752 GPRESSURE: 3442600 -231.73 139.834 -170.01 65.0917 53.8271 102.084 -242.11 84.3097 52.0502 PRESSAVG: 3442600 -44.7447 67.1118 -12.0157 67.1119 -46.3798 -30.2864 -12.0156 -30.2865 57.7982 GPRESSAVG: 3442600 -44.0224 68.9195 -14.5834 66.618 -46.348 -28.9269 -9.69989 -33.3302 56.7986 TIMING: 3442600 CPU: 9977.88, 0.00292485/step Wall: 9977.88, 0.00292485/step, 1.26532 hours remaining, 211.121094 MB of memory in use. ENERGY: 3442600 755.4497 2100.4120 1949.5158 109.9863 -205982.5441 17567.8947 0.0000 0.0000 34454.0669 -149045.2186 300.8959 -183499.2855 -148938.1050 299.9159 -73.8872 -41.9508 558097.4005 -11.1088 -11.1906 PRESSURE: 3442800 29.4559 -68.982 -223.123 -68.9817 68.1526 33.8132 -223.123 33.8134 147.327 GPRESSURE: 3442800 112.022 -150.435 -170.763 34.8056 73.9896 14.2025 -140.607 41.5291 162.659 PRESSAVG: 3442800 -26.599 7.81919 -84.7459 7.81921 42.3966 -25.805 -84.7459 -25.8049 4.52751 GPRESSAVG: 3442800 -25.9919 8.14865 -80.904 6.27965 42.8082 -26.2476 -84.3748 -24.2407 4.1673 TIMING: 3442800 CPU: 9978.46, 0.00291931/step Wall: 9978.46, 0.00291931/step, 1.26276 hours remaining, 211.121094 MB of memory in use. ENERGY: 3442800 771.1023 2065.9998 1941.9998 115.7668 -205941.4624 17802.6731 0.0000 0.0000 34334.2645 -148909.6561 299.8497 -183243.9206 -148814.1031 299.4025 81.6451 116.2236 558435.0747 6.7750 6.9945 PRESSURE: 3443000 4.24521 -19.5242 18.256 -19.5252 168.319 174.669 18.2565 174.668 -350.777 GPRESSURE: 3443000 33.9375 -36.639 23.2457 -24.5051 217.513 170.075 56.7817 171.379 -329.66 PRESSAVG: 3443000 -61.6358 -25.873 -19.6181 -25.873 -2.11272 37.2382 -19.6181 37.238 50.2318 GPRESSAVG: 3443000 -61.5308 -26.8076 -22.2434 -23.6091 -3.39043 38.6867 -19.3027 35.6858 51.486 TIMING: 3443000 CPU: 9979.05, 0.00290662/step Wall: 9979.05, 0.00290662/step, 1.25711 hours remaining, 211.121094 MB of memory in use. ENERGY: 3443000 715.5928 2065.1715 1951.9774 105.2435 -206048.7686 17782.3207 0.0000 0.0000 34614.6924 -148813.7702 302.2987 -183428.4626 -148722.4849 299.9201 -59.4040 -26.0697 558481.4165 -4.5056 -4.4784 PRESSURE: 3443200 -173.981 -61.9502 -31.1675 -61.9495 147.13 46.6014 -31.1671 46.6016 107.28 GPRESSURE: 3443200 -141.647 -81.7564 -28.3374 -10.2698 145.303 88.094 16.2565 -46.2409 176.174 PRESSAVG: 3443200 -1.53757 -10.8552 -23.0905 -10.8553 4.53554 7.39871 -23.0905 7.39869 24.7181 GPRESSAVG: 3443200 -1.7894 -10.1599 -23.4882 -11.3944 5.84353 6.7728 -23.0049 7.66143 23.7556 TIMING: 3443200 CPU: 9979.62, 0.00286598/step Wall: 9979.62, 0.00286598/step, 1.23938 hours remaining, 211.121094 MB of memory in use. ENERGY: 3443200 756.6773 2111.3019 1937.3085 118.0598 -206023.5839 17904.9161 0.0000 0.0000 34241.3179 -148954.0024 299.0379 -183195.3203 -148860.1672 299.6707 26.8094 59.9433 558302.2630 9.2387 9.2699 PRESSURE: 3443400 102.626 -56.9839 -156.063 -56.9833 65.7252 0.345056 -156.062 0.346559 123.762 GPRESSURE: 3443400 146.762 -66.3415 -46.7797 -165.437 92.5451 -2.00778 -229.269 -17.9732 153.843 PRESSAVG: 3443400 -44.1392 24.8983 -3.61405 24.8984 -8.98165 -31.1677 -3.61403 -31.1678 40.6006 GPRESSAVG: 3443400 -43.8553 23.269 -2.34849 24.1944 -10.1824 -31.7938 -3.83847 -29.9332 41.64 TIMING: 3443400 CPU: 9980.19, 0.00286377/step Wall: 9980.19, 0.00286377/step, 1.23826 hours remaining, 211.121094 MB of memory in use. ENERGY: 3443400 750.1751 2057.3110 1954.1161 114.9005 -206014.6880 17741.2800 0.0000 0.0000 34441.0795 -148955.8256 300.7825 -183396.9052 -148860.7430 300.0520 97.3710 131.0501 557002.2326 -4.1734 -4.1326 PRESSURE: 3443600 234.225 -161.823 99.9687 -161.822 279.899 -26.946 99.968 -26.9475 -43.5831 GPRESSURE: 3443600 284.563 -173.372 123.717 -83.846 320.604 -65.8731 75.6032 -40.5889 -40.76 PRESSAVG: 3443600 1.29392 28.7595 19.4137 28.7595 -42.4344 -21.5297 19.4137 -21.5296 20.9544 GPRESSAVG: 3443600 0.79953 28.0429 18.4714 30.9698 -41.4853 -21.2914 16.9691 -23.4477 20.7494 TIMING: 3443600 CPU: 9980.77, 0.00287432/step Wall: 9980.77, 0.00287432/step, 1.24266 hours remaining, 211.121094 MB of memory in use. ENERGY: 3443600 724.0162 2150.0150 1953.6657 126.7635 -205907.2887 17773.6753 0.0000 0.0000 34433.9795 -148745.1736 300.7205 -183179.1531 -148646.3592 300.0047 156.8470 188.1355 557666.3393 -6.7287 -6.6455 PRESSURE: 3443800 -206.265 -5.73046 110.643 -5.73119 -157.576 2.30134 110.645 2.30067 -5.41598 GPRESSURE: 3443800 -170.446 -68.0992 121.406 2.08803 -139.328 -18.5033 116.039 50.0827 38.6393 PRESSAVG: 3443800 37.6899 -33.4525 2.42754 -33.4525 14.7241 29.5254 2.42765 29.5254 -53.7033 GPRESSAVG: 3443800 38.7828 -32.3206 2.55229 -34.3475 13.451 28.6298 4.70298 30.5917 -53.578 TIMING: 3443800 CPU: 9981.34, 0.00289237/step Wall: 9981.34, 0.00289237/step, 1.25031 hours remaining, 211.121094 MB of memory in use. ENERGY: 3443800 735.7722 2079.6129 1947.2425 116.1907 -205331.0412 17312.4120 0.0000 0.0000 34329.4374 -148810.3734 299.8075 -183139.8108 -148711.2109 300.1567 -123.0856 -90.3784 558899.5958 -0.4298 -0.4481 PRESSURE: 3444000 182.053 97.0595 54.2476 97.0594 -6.33945 45.9727 54.2476 45.9738 44.5097 GPRESSURE: 3444000 192.651 19.7232 44.275 98.353 51.8748 29.6681 -51.2537 44.3836 71.6703 PRESSAVG: 3444000 -33.0859 87.0376 3.57077 87.0376 50.6293 -7.78881 3.57079 -7.78886 -24.2156 GPRESSAVG: 3444000 -33.1833 86.5718 5.0584 84.9739 51.15 -6.67399 2.20824 -7.7099 -24.0033 TIMING: 3444000 CPU: 9981.92, 0.00289783/step Wall: 9981.92, 0.00289783/step, 1.2525 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3444000 768.9015 2106.7223 1962.3617 103.7753 -206095.6931 17781.3547 0.0000 0.0000 34537.3037 -148835.2739 301.6229 -183372.5775 -148737.5936 300.1125 73.4077 105.3989 556789.4237 -2.2240 -2.0122 PRESSURE: 3444200 -82.449 -15.4203 79.4833 -15.4188 -92.4644 150.902 79.4839 150.901 13.1207 GPRESSURE: 3444200 10.0575 -56.4618 132.117 18.6617 -68.2885 171.385 19.8971 119.392 6.00033 PRESSAVG: 3444200 -3.09027 27.8771 15.8011 27.8772 17.745 37.6983 15.8011 37.6982 -0.352316 GPRESSAVG: 3444200 -2.53445 26.6859 13.7644 30.6723 17.895 39.7731 17.3063 35.3319 -0.857709 TIMING: 3444200 CPU: 9982.5, 0.00290097/step Wall: 9982.5, 0.00290098/step, 1.2537 hours remaining, 211.121094 MB of memory in use. ENERGY: 3444200 754.0442 2087.8992 1942.6975 122.3021 -205807.2544 17697.7268 0.0000 0.0000 34352.1695 -148850.4152 300.0060 -183202.5847 -148754.6879 300.3848 -53.9309 -17.4102 557866.4936 4.7675 4.8343 LDB: ============= START OF LOAD BALANCING ============== 9985.89 LDB: ============== END OF LOAD BALANCING =============== 9985.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9985.89 LDB: ============= START OF LOAD BALANCING ============== 9986.18 LDB: Largest compute 4792 load 0.027618 is 23.4% of average load 0.118041 LDB: Average compute 0.001731 is 1.5% of average load 0.118041 LDB: TIME 9986.19 LOAD: AVG 0.118041 MAX 0.178738 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.172 MB LDB: TIME 9986.19 LOAD: AVG 0.118041 MAX 0.178738 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.172 MB LDB: TIME 9986.19 LOAD: AVG 0.118041 MAX 0.178738 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9986.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9986.19 PRESSURE: 3444400 -29.8423 -107.956 70.0966 -107.956 88.376 -92.5384 70.0966 -92.5382 138.547 GPRESSURE: 3444400 15.3242 -87.7227 0.697509 -149.615 145.588 -29.1806 104.785 -98.5795 128.92 PRESSAVG: 3444400 49.971 -25.9479 33.711 -25.9479 6.83712 -7.02276 33.7109 -7.02283 -62.7856 GPRESSAVG: 3444400 48.9776 -22.71 35.7084 -29.3875 7.17897 -10.6428 32.7172 -3.51246 -61.6949 TIMING: 3444400 CPU: 9983.1, 0.0029566/step Wall: 9983.1, 0.0029566/step, 1.27758 hours remaining, 210.597656 MB of memory in use. ENERGY: 3444400 723.8646 2117.3058 1934.6916 111.9778 -205810.0417 17835.3848 0.0000 0.0000 34235.3698 -148851.4472 298.9860 -183086.8170 -148755.9410 299.6819 65.6936 96.6105 558883.7440 -1.9925 -1.8461 PRESSURE: 3444600 -226.533 61.6446 111.928 61.6448 -176.354 -104.3 111.928 -104.298 -53.0503 GPRESSURE: 3444600 -161.451 37.9357 79.7573 53.7556 -171.616 -0.691759 127.94 -116.664 -29.487 PRESSAVG: 3444600 -53.3709 -70.3615 -7.56493 -70.3615 -10.2171 3.40327 -7.56492 3.40324 82.1661 GPRESSAVG: 3444600 -52.8091 -72.0735 -9.2096 -68.88 -10.2489 4.92697 -7.30426 1.65234 81.6195 TIMING: 3444600 CPU: 9983.68, 0.00289678/step Wall: 9983.68, 0.00289678/step, 1.25157 hours remaining, 210.597656 MB of memory in use. ENERGY: 3444600 757.5037 2120.9254 1955.7208 118.5548 -205993.3879 17517.7344 0.0000 0.0000 34504.9219 -149018.0269 301.3401 -183522.9488 -148917.1320 300.1218 -151.9792 -120.8515 557827.8305 6.1927 6.1871 PRESSURE: 3444800 -171.923 -16.3171 -27.2345 -16.3168 -116.484 -55.6484 -27.2333 -55.6492 -214.536 GPRESSURE: 3444800 -158.698 -20.2047 -70.2648 -5.7536 -132.718 -114.877 -7.36652 -18.8538 -123.051 PRESSAVG: 3444800 -24.6637 1.76307 42.7172 1.76309 -55.6944 -28.6873 42.7172 -28.6874 77.2055 GPRESSAVG: 3444800 -23.7881 0.642821 42.6715 3.00958 -55.3753 -29.1199 44.1625 -28.7903 75.5447 TIMING: 3444800 CPU: 9984.25, 0.0028772/step Wall: 9984.25, 0.0028772/step, 1.24295 hours remaining, 210.597656 MB of memory in use. ENERGY: 3444800 736.8153 2109.6401 1952.4062 130.1962 -205880.7538 17552.6205 0.0000 0.0000 34170.9393 -149228.1363 298.4233 -183399.0756 -149125.3850 299.8865 -167.6481 -138.1556 558925.7320 -1.0508 -1.2062 PRESSURE: 3445000 -19.9087 286.236 39.5174 286.235 45.4894 137.48 39.5186 137.481 -17.0117 GPRESSURE: 3445000 -13.598 176.381 50.018 259.497 107.441 119.089 17.8647 174.196 23.7251 PRESSAVG: 3445000 -2.48059 -6.73086 3.39198 -6.73093 17.01 9.74431 3.39206 9.74437 17.2763 GPRESSAVG: 3445000 -3.61741 -5.26891 4.71887 -7.80204 16.2367 10.1073 1.85267 11.1919 19.9647 TIMING: 3445000 CPU: 9984.83, 0.00290324/step Wall: 9984.83, 0.00290323/step, 1.25404 hours remaining, 210.597656 MB of memory in use. ENERGY: 3445000 726.8222 2164.0043 1965.5888 121.3999 -206208.2400 17847.3110 0.0000 0.0000 34213.1231 -149169.9907 298.7917 -183383.1138 -149075.9053 299.6348 2.8563 39.1895 558091.6420 10.6019 10.8613 PRESSURE: 3445200 -33.1463 -40.851 91.9111 -40.8519 218.794 191.649 91.9116 191.649 108.551 GPRESSURE: 3445200 48.8245 -12.7684 32.5054 -106.959 242.336 225.773 81.3685 149.923 111.122 PRESSAVG: 3445200 -5.11389 14.3174 5.09809 14.3174 38.1258 44.7981 5.09806 44.7981 8.46167 GPRESSAVG: 3445200 -4.85545 13.5831 2.69711 13.7489 37.7483 44.5161 6.12668 43.8294 9.14678 TIMING: 3445200 CPU: 9985.41, 0.00289722/step Wall: 9985.41, 0.00289722/step, 1.25128 hours remaining, 210.597656 MB of memory in use. ENERGY: 3445200 740.2601 2058.5737 1991.3122 102.7160 -206532.4369 17959.9892 0.0000 0.0000 34424.9712 -149254.6145 300.6418 -183679.5857 -149150.9334 299.0512 98.0662 134.0943 557285.9152 13.8245 14.0132 PRESSURE: 3445400 265.089 51.6044 -145.332 51.605 113.255 131.169 -145.331 131.168 28.3999 GPRESSURE: 3445400 200.616 84.7199 -82.1907 129.645 163.352 125.979 -174.032 73.9263 131.511 PRESSAVG: 3445400 -23.2192 -10.6139 40.9746 -10.6139 -3.07652 0.783952 40.9746 0.783953 -30.155 GPRESSAVG: 3445400 -23.5417 -10.4226 42.3354 -11.2144 -2.75481 1.00303 40.6395 0.427844 -30.1763 TIMING: 3445400 CPU: 9985.99, 0.00289757/step Wall: 9985.99, 0.00289757/step, 1.25127 hours remaining, 210.664062 MB of memory in use. ENERGY: 3445400 715.6806 2090.7008 1953.5704 114.1706 -206522.1762 17941.7070 0.0000 0.0000 34287.8001 -149418.5467 299.4439 -183706.3468 -149326.8979 298.2588 135.5812 165.1599 555856.7209 -18.8169 -18.8243 PRESSURE: 3445600 363.142 -298.005 53.9225 -298.006 115.174 -112.744 53.9229 -112.742 257.934 GPRESSURE: 3445600 417.08 -294.674 119.673 -251.788 110.606 -140.81 -41.1247 -31.3751 311.812 PRESSAVG: 3445600 19.3413 -35.0374 4.13661 -35.0375 -1.63208 12.4503 4.1366 12.4502 30.3795 GPRESSAVG: 3445600 20.0953 -33.3686 5.16729 -35.4501 -1.91253 13.8877 4.57057 13.6024 29.6912 TIMING: 3445600 CPU: 9986.57, 0.00290984/step Wall: 9986.57, 0.00290984/step, 1.25641 hours remaining, 210.664062 MB of memory in use. ENERGY: 3445600 722.5057 2092.9754 1934.0147 111.5258 -206625.5638 18162.7599 0.0000 0.0000 34206.4270 -149395.3552 298.7332 -183601.7822 -149306.3676 298.8781 245.4166 279.8330 555637.3846 16.0296 15.9580 PRESSURE: 3445800 213.186 -20.6385 15.3071 -20.6381 314.888 -12.3144 15.3072 -12.3134 -40.8468 GPRESSURE: 3445800 219.928 1.38632 33.3414 5.89598 338.183 38.9651 116.075 -78.9913 31.736 PRESSAVG: 3445800 -13.2698 -54.7866 18.3167 -54.7866 10.2256 -36.7893 18.3167 -36.7893 -0.602568 GPRESSAVG: 3445800 -12.2795 -53.181 16.7168 -54.3382 11.0816 -38.261 18.4448 -36.0358 -2.2839 TIMING: 3445800 CPU: 9987.15, 0.00288482/step Wall: 9987.15, 0.00288482/step, 1.24544 hours remaining, 210.664062 MB of memory in use. ENERGY: 3445800 756.9570 2141.9674 1952.9120 125.4933 -206561.5423 18063.7561 0.0000 0.0000 34327.9215 -149192.5350 299.7943 -183520.4565 -149100.7345 298.9139 162.4092 196.6158 556720.0485 -1.2156 -1.1606 PRESSURE: 3446000 -170.731 -29.4421 54.5575 -29.4435 -154.052 -146.52 54.5582 -146.52 -268.903 GPRESSURE: 3446000 -115.812 43.2948 76.153 -65.8803 -96.3494 -198.497 52.4233 -167.213 -275.712 PRESSAVG: 3446000 16.4341 1.09217 43.5481 1.0921 -7.32865 -29.2269 43.5481 -29.2268 8.99845 GPRESSAVG: 3446000 16.1291 -0.686465 44.7057 0.824456 -6.94005 -28.2881 41.5705 -31.8177 9.04321 TIMING: 3446000 CPU: 9987.73, 0.00288952/step Wall: 9987.73, 0.00288952/step, 1.24731 hours remaining, 210.734375 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: 3446000 755.8305 2114.1605 1953.0575 109.3971 -205776.0152 17480.8891 0.0000 0.0000 34217.8424 -149144.8382 298.8329 -183362.6806 -149042.9111 299.4180 -197.8953 -162.6246 558399.1201 6.0346 6.0774 PRESSURE: 3446200 249.661 54.2076 82.4981 54.2084 182.056 41.0929 82.4975 41.0927 -67.4004 GPRESSURE: 3446200 290.568 67.3604 86.4843 74.9526 219.811 -22.1346 115.213 90.6247 -47.7844 PRESSAVG: 3446200 -37.9981 -83.6212 -12.5708 -83.6212 -7.29259 -14.6916 -12.5708 -14.6915 15.6816 GPRESSAVG: 3446200 -37.8856 -85.4897 -12.5399 -81.1993 -8.15978 -16.8898 -11.8581 -11.4183 16.4018 TIMING: 3446200 CPU: 9988.31, 0.00289488/step Wall: 9988.31, 0.00289488/step, 1.24946 hours remaining, 210.734375 MB of memory in use. ENERGY: 3446200 690.2907 2071.5031 1956.6178 126.3216 -206538.3143 17968.0539 0.0000 0.0000 34423.1024 -149302.4249 300.6255 -183725.5272 -149215.2204 299.3453 121.4388 154.1980 556274.3484 -9.8697 -9.8812 PRESSURE: 3446400 -212.456 123.843 118.774 123.844 -225.129 -0.949936 118.773 -0.950382 -327.161 GPRESSURE: 3446400 -162.531 196.87 -24.3689 129.566 -203.545 -38.1612 47.3301 15.9149 -298.93 PRESSAVG: 3446400 5.95706 20.5587 38.6198 20.5587 18.2499 -1.84904 38.6197 -1.84898 1.33423 GPRESSAVG: 3446400 5.1265 21.1654 37.5649 18.524 18.8846 -2.58813 38.6898 -0.904161 1.67207 TIMING: 3446400 CPU: 9988.88, 0.00289107/step Wall: 9988.88, 0.00289107/step, 1.24766 hours remaining, 210.734375 MB of memory in use. ENERGY: 3446400 737.7477 2112.2501 1958.0752 121.7918 -205751.1129 17338.8545 0.0000 0.0000 34216.0455 -149266.3480 298.8172 -183482.3935 -149170.6720 298.9288 -254.9151 -221.6688 558732.1275 8.5137 8.5610 PRESSURE: 3446600 39.547 78.6075 88.1603 78.6071 58.6341 14.5686 88.16 14.5671 278.514 GPRESSURE: 3446600 74.863 141.506 56.4741 -12.399 127.859 -109.583 77.6379 139.291 270.383 PRESSAVG: 3446600 -8.59662 47.9115 10.9921 47.9115 -1.24418 -10.7868 10.9921 -10.7867 13.0343 GPRESSAVG: 3446600 -7.92009 48.8553 12.3996 48.068 -1.24789 -8.28139 9.172 -13.9546 12.5395 TIMING: 3446600 CPU: 9989.46, 0.00286868/step Wall: 9989.46, 0.00286868/step, 1.23783 hours remaining, 210.734375 MB of memory in use. ENERGY: 3446600 766.1398 2079.8155 1951.7945 119.2871 -206666.5418 18115.5349 0.0000 0.0000 34509.0365 -149124.9334 301.3760 -183633.9699 -149025.9024 299.8795 125.5651 157.7018 555794.0220 1.0645 1.1238 PRESSURE: 3446800 -195.513 -237.07 128.766 -237.07 -24.1515 61.0949 128.766 61.0959 -211.649 GPRESSURE: 3446800 -146.057 -193.106 118.242 -318.807 46.8227 87.383 159.533 2.90791 -227.713 PRESSAVG: 3446800 -17.3431 -3.8588 14.4713 -3.85872 5.7944 -55.4858 14.4713 -55.4859 44.5092 GPRESSAVG: 3446800 -16.7315 -5.35223 13.2996 -3.60529 6.78102 -56.6905 17.5135 -55.6265 42.9823 TIMING: 3446800 CPU: 9990.03, 0.00288117/step Wall: 9990.03, 0.00288117/step, 1.24307 hours remaining, 210.734375 MB of memory in use. ENERGY: 3446800 732.5723 2114.2983 1955.2877 102.8738 -205920.9234 17664.2483 0.0000 0.0000 34344.3933 -149007.2498 299.9381 -183351.6431 -148908.9505 300.0763 -143.7711 -108.9825 558940.6129 10.9868 11.0106 PRESSURE: 3447000 -55.5485 31.2836 186.841 31.2831 -207.877 -162.196 186.841 -162.194 -58.7161 GPRESSURE: 3447000 -82.6079 23.4559 145.692 45.3542 -147.801 -198.159 222.827 -74.2578 12.8174 PRESSAVG: 3447000 31.1282 3.38875 32.5564 3.38879 4.28219 -31.4646 32.5562 -31.4646 -7.02163 GPRESSAVG: 3447000 30.3737 4.43241 34.0869 3.26459 2.99319 -30.6368 31.092 -29.7947 -5.0048 TIMING: 3447000 CPU: 9990.61, 0.00288111/step Wall: 9990.61, 0.00288111/step, 1.24288 hours remaining, 210.734375 MB of memory in use. ENERGY: 3447000 764.1766 2076.8140 1926.0480 111.6670 -205839.2464 17611.1736 0.0000 0.0000 34317.1184 -149032.2487 299.6999 -183349.3671 -148938.5828 300.3041 -107.3805 -72.5306 558749.0385 9.4629 9.4540 PRESSURE: 3447200 -42.212 25.4659 147.464 25.4649 159.664 84.7999 147.464 84.7992 -78.8515 GPRESSURE: 3447200 25.2012 24.8208 121.161 -6.38159 173.373 95.5229 56.8204 26.331 -69.66 PRESSAVG: 3447200 -28.302 4.88881 60.9645 4.88883 12.5675 -31.5471 60.9646 -31.5469 -8.46512 GPRESSAVG: 3447200 -28.1993 4.94974 60.2436 4.8456 12.8529 -32.6743 61.5997 -32.2341 -8.58018 TIMING: 3447200 CPU: 9991.19, 0.00287465/step Wall: 9991.19, 0.00287465/step, 1.23993 hours remaining, 210.734375 MB of memory in use. ENERGY: 3447200 787.0786 2065.1173 1925.9057 114.4115 -206127.6117 17800.2315 0.0000 0.0000 34436.9660 -148997.9011 300.7466 -183434.8672 -148902.4609 299.7060 12.8667 42.9714 556321.6693 -8.0665 -7.9755 PRESSURE: 3447400 -114.456 -163.085 -3.36281 -163.085 -194.802 -99.2964 -3.36335 -99.2975 -225.909 GPRESSURE: 3447400 -74.4959 -67.3934 -99.5436 -214.146 -157.572 -136.34 94.798 -31.3205 -193.433 PRESSAVG: 3447400 -74.5974 59.9314 62.6613 59.9314 40.7528 49.0236 62.6614 49.0237 70.3351 GPRESSAVG: 3447400 -73.7857 60.3047 62.9588 58.6057 40.522 49.5473 62.1312 50.2592 70.1668 TIMING: 3447400 CPU: 9991.76, 0.00289384/step Wall: 9991.76, 0.00289384/step, 1.24805 hours remaining, 210.734375 MB of memory in use. ENERGY: 3447400 754.6409 2043.9761 1948.2333 127.5046 -205581.3306 17498.0049 0.0000 0.0000 34132.3112 -149076.6596 298.0860 -183208.9707 -148981.1123 300.2414 -178.3891 -141.8336 557077.6161 12.1635 12.3010 PRESSURE: 3447600 26.3885 -78.795 32.3945 -78.7941 -33.4563 60.5134 32.3937 60.5133 -34.4035 GPRESSURE: 3447600 64.6078 -26.8486 91.9247 -43.5363 5.56275 42.5025 33.4538 79.6199 3.2991 PRESSAVG: 3447600 -3.72849 -50.456 8.3326 -50.456 85.4415 -43.7358 8.33262 -43.7358 -63.9119 GPRESSAVG: 3447600 -3.50935 -50.0602 7.55931 -49.755 83.9887 -43.9871 8.10821 -45.6375 -62.6435 TIMING: 3447600 CPU: 9992.34, 0.00286474/step Wall: 9992.34, 0.00286474/step, 1.23534 hours remaining, 210.734375 MB of memory in use. ENERGY: 3447600 757.4104 2128.2950 1961.6931 126.3686 -205967.3758 17692.9387 0.0000 0.0000 34462.4711 -148838.1990 300.9693 -183300.6701 -148739.6990 300.1179 -13.8238 24.4899 556485.5817 5.9337 5.9453 PRESSURE: 3447800 -133.765 6.10825 -16.5839 6.10902 -54.9387 -88.9244 -16.5845 -88.9253 -140.607 GPRESSURE: 3447800 -67.885 -76.7147 79.2033 69.8507 -31.4789 -161.599 -76.6974 -122.017 -126.874 PRESSAVG: 3447800 -18.9094 -20.2431 -13.9148 -20.2431 15.5595 -2.3968 -13.9148 -2.39676 52.3294 GPRESSAVG: 3447800 -19.016 -21.0755 -14.0527 -19.824 16.6705 0.682502 -13.4212 -3.46753 51.5817 TIMING: 3447800 CPU: 9992.91, 0.00288522/step Wall: 9992.91, 0.00288522/step, 1.24401 hours remaining, 210.734375 MB of memory in use. ENERGY: 3447800 819.0340 2119.2531 1953.9310 107.4180 -205914.6247 17728.1371 0.0000 0.0000 34613.0652 -148573.7863 302.2845 -183186.8514 -148482.3170 301.3268 -109.7702 -75.4127 557727.6700 16.3265 16.4121 PRESSURE: 3448000 186.001 -87.6383 64.2118 -87.6384 169.058 -12.5131 64.2113 -12.514 101.214 GPRESSURE: 3448000 212.513 -81.4152 96.5244 -79.7192 210.393 102.875 16.5244 -46.0495 144.735 PRESSAVG: 3448000 -22.8346 -58.8239 -7.23849 -58.8239 19.4715 -51.587 -7.23849 -51.5869 -6.94284 GPRESSAVG: 3448000 -22.8911 -59.7706 -8.53078 -58.7105 19.3194 -52.1114 -7.10546 -49.8822 -6.56175 TIMING: 3448000 CPU: 9993.5, 0.00290861/step Wall: 9993.5, 0.00290861/step, 1.25393 hours remaining, 210.734375 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: 3448000 739.0071 2060.9492 1951.7650 125.4347 -205863.9915 18085.1559 0.0000 0.0000 34298.0980 -148603.5814 299.5338 -182901.6795 -148510.8238 301.2485 152.0912 189.2137 559761.2325 -3.4353 -3.3778 PRESSURE: 3448200 -170.76 -100.96 -11.7708 -100.96 -176.143 10.5663 -11.771 10.5654 160.409 GPRESSURE: 3448200 -126.877 -35.6316 -22.778 -170.434 -144.215 31.3998 -10.5863 33.8324 191.419 PRESSAVG: 3448200 -43.1815 -4.11365 13.0045 -4.11368 40.2471 -18.6559 13.0045 -18.6559 -18.3423 GPRESSAVG: 3448200 -43.0176 -2.72901 14.7272 -5.08243 40.8492 -20.2299 13.5869 -18.7694 -19.2152 TIMING: 3448200 CPU: 9994.08, 0.00290153/step Wall: 9994.08, 0.00290153/step, 1.25072 hours remaining, 210.734375 MB of memory in use. ENERGY: 3448200 734.8747 2107.6724 1965.2385 114.7099 -205311.5291 17564.6411 0.0000 0.0000 34370.1899 -148454.2027 300.1634 -182824.3926 -148357.3392 301.2701 -62.1647 -26.5576 559534.0873 -7.0922 -7.1279 LDB: ============= START OF LOAD BALANCING ============== 9997.46 LDB: ============== END OF LOAD BALANCING =============== 9997.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9997.47 LDB: ============= START OF LOAD BALANCING ============== 9997.76 LDB: Largest compute 4792 load 0.027208 is 23.1% of average load 0.117994 LDB: Average compute 0.001733 is 1.5% of average load 0.117994 LDB: TIME 9997.76 LOAD: AVG 0.117994 MAX 0.178247 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.824 MB LDB: TIME 9997.76 LOAD: AVG 0.117994 MAX 0.178247 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: TIME 9997.76 LOAD: AVG 0.117994 MAX 0.178247 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: ============== END OF LOAD BALANCING =============== 9997.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9997.77 PRESSURE: 3448400 -92.9506 -83.4715 89.2883 -83.4719 -174.052 83.0442 89.2881 83.0443 119.15 GPRESSURE: 3448400 -63.9075 -160.504 -37.7399 -63.9602 -138.929 5.49156 88.6728 101.941 151.446 PRESSAVG: 3448400 6.45785 -23.7164 42.7132 -23.7164 -45.6473 13.2351 42.7132 13.2351 56.5315 GPRESSAVG: 3448400 6.47477 -22.837 44.3647 -24.0005 -45.4345 13.902 41.569 13.2882 56.5889 TIMING: 3448400 CPU: 9994.67, 0.0029673/step Wall: 9994.67, 0.0029673/step, 1.27891 hours remaining, 210.351562 MB of memory in use. ENERGY: 3448400 735.6209 2096.0216 1973.8284 117.9290 -205370.0439 17480.2875 0.0000 0.0000 34516.4091 -148449.9472 301.4404 -182966.3563 -148352.9612 301.6446 -49.2844 -17.1303 558073.1562 5.7807 5.8764 PRESSURE: 3448600 80.3109 2.21692 -30.4672 2.21659 -472.416 80.0924 -30.4672 80.0919 9.38638 GPRESSURE: 3448600 140.51 49.5512 85.2038 -134.616 -395.688 35.7638 24.4281 96.8581 -32.0111 PRESSAVG: 3448600 33.0835 11.3381 2.92743 11.3381 -41.9056 42.1834 2.92751 42.1834 62.9073 GPRESSAVG: 3448600 33.7752 10.4628 1.63771 12.3388 -42.6667 40.313 5.23185 42.4551 62.4925 TIMING: 3448600 CPU: 9995.25, 0.00288308/step Wall: 9995.25, 0.00288307/step, 1.24245 hours remaining, 210.554688 MB of memory in use. ENERGY: 3448600 754.2500 2085.8813 1940.6172 119.9760 -205297.7298 17500.3941 0.0000 0.0000 34341.3526 -148555.2587 299.9116 -182896.6112 -148457.0408 301.6562 -127.5730 -95.7298 559113.7023 18.0284 17.8670 PRESSURE: 3448800 4.08402 -174.117 85.968 -174.117 -3.89022 -83.8915 85.9662 -83.8922 73.0917 GPRESSURE: 3448800 -16.0289 -80.2966 204.434 -145.149 85.4052 -115.716 36.9458 -21.2204 113.829 PRESSAVG: 3448800 -42.8933 52.6791 55.9544 52.6793 -22.6682 18.1443 55.9544 18.1443 76.0881 GPRESSAVG: 3448800 -44.3183 52.7155 55.7129 52.9992 -22.5573 19.1674 54.9258 18.0713 77.3365 TIMING: 3448800 CPU: 9995.83, 0.00291126/step Wall: 9995.83, 0.00291126/step, 1.25443 hours remaining, 210.554688 MB of memory in use. ENERGY: 3448800 770.9997 2089.5202 1947.6773 122.8756 -205723.8523 17742.0729 0.0000 0.0000 34373.1291 -148677.5775 300.1891 -183050.7066 -148579.9883 301.3259 24.4285 61.0684 557799.3948 3.5089 3.4870 PRESSURE: 3449000 -426.671 -220.94 -74.9167 -220.939 -181.496 44.9789 -74.918 44.9786 -35.7902 GPRESSURE: 3449000 -395.562 -153.537 22.6457 -242.435 -134.593 85.1166 -149.94 111.41 -13.6301 PRESSAVG: 3449000 -54.6514 2.56873 16.5705 2.56875 -44.4774 -0.95555 16.5705 -0.955634 56.621 GPRESSAVG: 3449000 -54.4311 1.67068 15.4822 2.44401 -43.6685 -0.737147 15.7682 -1.88252 55.3173 TIMING: 3449000 CPU: 9996.41, 0.00288512/step Wall: 9996.41, 0.00288512/step, 1.24301 hours remaining, 210.554688 MB of memory in use. ENERGY: 3449000 795.5674 2102.1849 1931.6061 123.1867 -205302.6013 17317.8157 0.0000 0.0000 34454.9112 -148577.3293 300.9033 -183032.2405 -148483.3661 301.2102 -214.6523 -181.2616 557671.8164 -14.1693 -14.2608 PRESSURE: 3449200 64.1273 -28.2137 24.3876 -28.2144 -0.0754325 224.45 24.3872 224.45 -78.8313 GPRESSURE: 3449200 54.6783 -98.8322 55.9579 15.6971 33.3244 206.075 3.06781 253.865 4.74402 PRESSAVG: 3449200 -45.5017 -64.1597 19.1551 -64.1597 -25.3308 55.9821 19.1551 55.982 73.2758 GPRESSAVG: 3449200 -45.9411 -65.829 20.4649 -62.995 -25.7722 56.5629 21.6525 56.7209 74.2496 TIMING: 3449200 CPU: 9996.98, 0.00289366/step Wall: 9996.98, 0.00289366/step, 1.24653 hours remaining, 210.554688 MB of memory in use. ENERGY: 3449200 726.9114 2074.8779 1943.7387 105.9609 -205891.4234 17823.7057 0.0000 0.0000 34605.1471 -148611.0817 302.2154 -183216.2289 -148512.2082 301.6932 -4.9265 30.9156 559097.4857 0.8144 0.8454 PRESSURE: 3449400 -70.6701 169.457 -9.44101 169.456 -162.142 -270.545 -9.44083 -270.547 170.781 GPRESSURE: 3449400 -23.6349 120.756 -18.0935 101.646 -86.2113 -254.922 1.00033 -146.006 136.078 PRESSAVG: 3449400 -4.43881 -51.0314 30.5728 -51.0313 32.8445 20.8359 30.5727 20.8357 1.73739 GPRESSAVG: 3449400 -3.62283 -50.2098 28.8137 -51.0792 32.5372 20.1286 29.2334 19.7908 1.21283 TIMING: 3449400 CPU: 9997.56, 0.00289343/step Wall: 9997.56, 0.00289343/step, 1.24626 hours remaining, 210.554688 MB of memory in use. ENERGY: 3449400 759.2348 2108.8214 1943.4273 108.3451 -205917.3148 17823.4560 0.0000 0.0000 34490.0074 -148684.0228 301.2098 -183174.0301 -148583.5365 301.3775 -20.6772 8.7439 557655.5350 10.0477 10.0424 PRESSURE: 3449600 90.3162 -45.8008 35.8778 -45.801 31.1949 10.4006 35.8766 10.4005 -48.7313 GPRESSURE: 3449600 165.632 -62.9135 102.722 -48.5269 42.7003 -19.5061 0.263709 82.6728 -44.871 PRESSAVG: 3449600 38.0442 -16.8944 -3.94161 -16.8944 -7.12751 13.2294 -3.94165 13.2295 27.5409 GPRESSAVG: 3449600 37.9889 -17.2357 -1.98865 -15.5601 -7.42192 13.7133 -4.70904 14.5455 27.721 TIMING: 3449600 CPU: 9998.14, 0.00289017/step Wall: 9998.14, 0.00289017/step, 1.2447 hours remaining, 210.554688 MB of memory in use. ENERGY: 3449600 751.8309 2154.0050 1928.5785 101.7922 -205851.4312 17754.5980 0.0000 0.0000 34301.3815 -148859.2450 299.5625 -183160.6264 -148766.6581 300.7990 24.2600 54.4870 558983.8220 19.4859 19.4293 PRESSURE: 3449800 -200.923 -47.6544 97.5346 -47.6536 -130.902 26.0248 97.5337 26.0252 32.5425 GPRESSURE: 3449800 -164.795 -28.8358 56.7274 -45.6818 -96.8964 -24.7631 122.898 55.7556 55.0907 PRESSAVG: 3449800 15.9045 -25.0084 44.5812 -25.0084 -11.8933 8.69228 44.5812 8.69225 10.0115 GPRESSAVG: 3449800 15.5811 -24.0853 45.4729 -26.4601 -10.9136 8.53127 45.0081 9.07532 9.00672 TIMING: 3449800 CPU: 9998.72, 0.00288264/step Wall: 9998.72, 0.00288264/step, 1.2413 hours remaining, 210.554688 MB of memory in use. ENERGY: 3449800 786.3580 2082.3157 1941.4787 120.4239 -206105.3099 17645.2738 0.0000 0.0000 34525.0489 -149004.4108 301.5158 -183529.4597 -148899.4641 300.3791 -99.7609 -68.8669 557876.8292 4.6742 4.5581 PRESSURE: 3450000 -261.21 -0.774835 50.8818 -0.773732 174.317 191.82 50.8808 191.821 -135.891 GPRESSURE: 3450000 -216.223 -56.997 123.312 -9.51146 170.357 154.382 -30.4812 222.077 -77.6935 PRESSAVG: 3450000 -58.7251 -10.0169 45.0473 -10.0169 10.213 6.7357 45.0474 6.73584 55.9513 GPRESSAVG: 3450000 -58.2901 -8.2051 43.3193 -13.4432 9.21501 6.70512 46.3746 5.09253 56.9459 TIMING: 3450000 CPU: 9999.3, 0.00290572/step Wall: 9999.3, 0.00290572/step, 1.25108 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3450000 750.0570 2108.6395 1911.2550 100.1310 -205786.6706 17606.0875 0.0000 0.0000 34235.0522 -149075.4484 298.9832 -183310.5006 -148979.7260 299.9235 -74.2610 -41.1866 558520.2495 2.4797 2.6236 PRESSURE: 3450200 110.205 75.1875 -95.3064 75.1878 423.701 4.65463 -95.306 4.65539 388.851 GPRESSURE: 3450200 243.764 30.4604 -125.845 124.665 402.563 35.4548 -46.7202 -22.8276 371.878 PRESSAVG: 3450200 -24.1933 32.3897 -14.1012 32.3896 32.4841 -0.224307 -14.1012 -0.224289 32.212 GPRESSAVG: 3450200 -24.5016 30.1475 -11.7332 35.8234 32.2752 0.0118431 -14.3847 -0.136849 32.8593 TIMING: 3450200 CPU: 9999.88, 0.00288254/step Wall: 9999.88, 0.00288254/step, 1.24093 hours remaining, 210.554688 MB of memory in use. ENERGY: 3450200 749.6463 2103.9558 1962.9694 130.1248 -206392.4532 18078.5089 0.0000 0.0000 34334.9125 -149032.3354 299.8553 -183367.2479 -148942.9605 299.8986 307.5857 339.4018 556531.2644 13.5009 13.5443 PRESSURE: 3450400 267.443 -92.2268 -15.9243 -92.227 126.746 111.588 -15.9235 111.589 -86.0944 GPRESSURE: 3450400 279.487 -87.8297 -55.5192 -72.3569 129.351 149.766 -92.7031 103.698 2.46993 PRESSAVG: 3450400 -25.1787 -21.9269 2.46749 -21.9268 71.2555 38.2149 2.46746 38.2148 -11.1661 GPRESSAVG: 3450400 -25.1507 -21.5223 -3.18535 -23.2837 71.9492 36.8854 3.5511 39.5437 -11.8533 TIMING: 3450400 CPU: 10000.5, 0.00287595/step Wall: 10000.5, 0.00287595/step, 1.23794 hours remaining, 210.554688 MB of memory in use. ENERGY: 3450400 715.4743 2036.5743 1939.9047 108.6776 -206113.5220 17870.9409 0.0000 0.0000 34209.8021 -149232.1482 298.7627 -183441.9502 -149128.2286 299.3329 102.6984 137.1025 557265.5726 11.6369 11.6484 PRESSURE: 3450600 92.3201 -67.034 -0.857454 -67.0338 279.98 77.0069 -0.858839 77.0073 -97.1225 GPRESSURE: 3450600 119.229 -36.5305 -38.7583 -74.6223 282.639 108.354 94.5025 -8.00739 -21.0868 PRESSAVG: 3450600 19.7954 -16.9488 5.03605 -16.9488 19.2482 55.0275 5.03603 55.0275 -42.5633 GPRESSAVG: 3450600 20.5703 -14.9904 6.95867 -17.1501 18.3602 55.9132 3.55784 54.5066 -42.6369 TIMING: 3450600 CPU: 10001, 0.00290112/step Wall: 10001, 0.00290112/step, 1.24861 hours remaining, 210.554688 MB of memory in use. ENERGY: 3450600 719.9097 2101.5923 1950.9489 110.0144 -206573.3490 18021.4883 0.0000 0.0000 34416.0576 -149253.3377 300.5640 -183669.3953 -149154.3540 299.2636 91.7259 126.9270 556482.8478 -1.1732 -1.2355 PRESSURE: 3450800 -72.0866 -82.2029 36.2795 -82.2021 -128.431 -41.017 36.279 -41.0176 139.282 GPRESSURE: 3450800 -75.3538 -71.3239 85.5269 -49.7534 -73.0713 -168.153 -25.6273 -3.25973 190.043 PRESSAVG: 3450800 32.2621 -77.8936 22.9858 -77.8936 -24.1268 27.9103 22.9859 27.9103 8.19865 GPRESSAVG: 3450800 31.1866 -79.0569 24.5145 -76.1712 -22.0782 28.2936 21.2105 25.0851 7.76336 TIMING: 3450800 CPU: 10001.6, 0.0028937/step Wall: 10001.6, 0.0028937/step, 1.24526 hours remaining, 210.554688 MB of memory in use. ENERGY: 3450800 764.2533 2094.9381 1950.5643 122.2156 -205834.6767 17606.2251 0.0000 0.0000 34171.0511 -149125.4291 298.4243 -183296.4803 -149023.1470 298.9316 -20.4118 13.8725 556463.7495 5.4447 5.6239 PRESSURE: 3451000 -305.788 -124.122 70.2278 -124.121 32.4641 323.661 70.2269 323.661 -141.223 GPRESSURE: 3451000 -269.89 -138.554 54.8983 -58.248 32.6144 368.35 37.4355 245.593 -75.4252 PRESSAVG: 3451000 51.2366 -27.8878 44.016 -27.8879 7.61148 17.1843 44.0159 17.1843 -1.83219 GPRESSAVG: 3451000 52.8329 -26.3642 46.2168 -29.0235 6.96589 18.1417 45.3904 17.6162 -3.00887 TIMING: 3451000 CPU: 10002.2, 0.00288824/step Wall: 10002.2, 0.00288824/step, 1.24275 hours remaining, 210.554688 MB of memory in use. ENERGY: 3451000 769.9406 2111.7910 1939.2518 106.5686 -206069.0890 17624.6695 0.0000 0.0000 34253.9072 -149262.9604 299.1479 -183516.8675 -149159.2334 299.1284 -138.1821 -104.2334 557968.9533 19.0053 18.9300 PRESSURE: 3451200 -114.722 65.5846 -10.5662 65.585 198.52 75.6875 -10.5669 75.6869 -140.325 GPRESSURE: 3451200 -56.1077 80.1597 -79.9486 61.3225 207.791 80.7459 -4.89877 69.8046 -96.7812 PRESSAVG: 3451200 -18.6782 -21.7944 -24.4348 -21.7944 43.1513 25.5722 -24.4348 25.5721 3.72498 GPRESSAVG: 3451200 -19.332 -21.2015 -27.727 -22.1426 41.6936 24.0362 -24.7342 28.1009 5.8947 TIMING: 3451200 CPU: 10002.8, 0.00286472/step Wall: 10002.8, 0.00286472/step, 1.23247 hours remaining, 210.554688 MB of memory in use. ENERGY: 3451200 766.1854 2131.7711 1939.2399 115.2518 -206593.6600 17982.6563 0.0000 0.0000 34398.0830 -149260.4724 300.4070 -183658.5554 -149165.4457 299.5292 -18.8423 18.3008 556426.1512 9.3994 9.4188 PRESSURE: 3451400 -220.15 -59.4219 131.406 -59.4212 -320.778 204.206 131.406 204.204 -201.312 GPRESSURE: 3451400 -201.21 23.7546 126.754 -115.216 -248.092 174.995 95.2895 177.854 -182.443 PRESSAVG: 3451400 -46.8976 -8.75316 38.025 -8.75329 33.8386 28.1988 38.0252 28.1988 14.8678 GPRESSAVG: 3451400 -45.7726 -11.2527 38.2786 -7.31669 35.4913 26.7805 39.4162 27.1908 12.1821 TIMING: 3451400 CPU: 10003.3, 0.00288424/step Wall: 10003.3, 0.00288424/step, 1.2407 hours remaining, 210.554688 MB of memory in use. ENERGY: 3451400 774.1631 2104.0113 1951.3660 127.8781 -206037.2130 17486.0640 0.0000 0.0000 34276.9366 -149316.7938 299.3490 -183593.7304 -149220.2466 299.3665 -247.4130 -210.5816 557347.9382 0.6029 0.6336 PRESSURE: 3451600 118.825 -29.7231 -77.3405 -29.7244 -79.3225 -74.0842 -77.3401 -74.0872 -130.054 GPRESSURE: 3451600 113.132 30.0946 -42.8402 -94.8194 -28.2969 -55.9174 -95.2709 -56.4281 -83.0941 PRESSAVG: 3451600 -18.1045 30.5417 8.09598 30.5416 -31.9483 -5.51731 8.09595 -5.51724 53.008 GPRESSAVG: 3451600 -19.2524 29.5175 7.84139 31.7502 -31.8466 -3.6685 7.4956 -4.79958 53.6839 TIMING: 3451600 CPU: 10003.9, 0.00286494/step Wall: 10003.9, 0.00286494/step, 1.23224 hours remaining, 210.554688 MB of memory in use. ENERGY: 3451600 746.5688 2078.8887 1950.7351 116.0582 -206141.8522 17745.6445 0.0000 0.0000 34023.3226 -149480.6343 297.1341 -183503.9569 -149378.7525 299.3012 -30.1839 0.5802 557758.4254 0.9851 0.8616 PRESSURE: 3451800 -7.01996 32.2937 -15.1103 32.2936 -267.767 116.414 -15.1107 116.415 69.6993 GPRESSURE: 3451800 26.0935 -130.748 21.4022 43.2687 -247.019 186.01 -31.799 47.238 118.842 PRESSAVG: 3451800 23.5715 -4.34097 26.1217 -4.34092 2.04118 0.65566 26.1218 0.655757 -1.1736 GPRESSAVG: 3451800 25.0236 -2.44921 27.2548 -6.58964 1.77216 2.32209 27.1147 0.141958 -1.94187 TIMING: 3451800 CPU: 10004.5, 0.00285051/step Wall: 10004.5, 0.00285051/step, 1.22588 hours remaining, 210.554688 MB of memory in use. ENERGY: 3451800 750.7507 2095.4943 1935.7708 119.1651 -206472.6838 17780.2428 0.0000 0.0000 34264.5174 -149526.7426 299.2406 -183791.2600 -149426.5338 298.9285 -68.3626 -34.0277 557312.4885 8.1464 8.2846 PRESSURE: 3452000 191.244 28.8704 -17.9753 28.8714 179.485 -32.1679 -17.9748 -32.1662 245.845 GPRESSURE: 3452000 215.077 -70.9858 -10.6673 56.4765 185.108 -51.6171 -10.7495 -92.0926 318.454 PRESSAVG: 3452000 -48.3429 -17.19 -10.6798 -17.1899 0.286999 21.0087 -10.6798 21.0087 33.8869 GPRESSAVG: 3452000 -48.3928 -17.1931 -10.0819 -15.6588 -0.131618 18.989 -13.0445 20.9212 34.6964 TIMING: 3452000 CPU: 10005.1, 0.00285857/step Wall: 10005.1, 0.00285857/step, 1.22919 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3452000 759.5197 2122.7568 1940.3180 106.9734 -207225.4287 18271.8890 0.0000 0.0000 34477.1224 -149546.8494 301.0973 -184023.9718 -149458.8731 298.8010 205.5248 239.5463 556390.2903 -4.7230 -4.6094 PRESSURE: 3452200 159.396 94.9686 173.734 94.9674 -165.128 -74.781 173.734 -74.7792 -167.001 GPRESSURE: 3452200 128.795 115.095 186.525 74.1324 -119.812 -105.847 118.515 30.2938 -86.4231 PRESSAVG: 3452200 8.68914 14.8368 -6.24228 14.8369 -15.1508 -6.00085 -6.24235 -6.00077 36.1616 GPRESSAVG: 3452200 8.5079 14.4746 -6.61334 12.0759 -15.2867 -5.95816 -5.10982 -5.81361 36.1711 TIMING: 3452200 CPU: 10005.6, 0.00285808/step Wall: 10005.6, 0.00285808/step, 1.22882 hours remaining, 210.554688 MB of memory in use. ENERGY: 3452200 785.1537 2043.8214 1923.0427 119.9441 -206346.6532 17967.4327 0.0000 0.0000 34261.4394 -149245.8192 299.2137 -183507.2586 -149151.9584 299.3814 -57.5778 -25.8135 556901.8532 9.9000 9.7974 LDB: ============= START OF LOAD BALANCING ============== 10009 LDB: ============== END OF LOAD BALANCING =============== 10009 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10009 LDB: ============= START OF LOAD BALANCING ============== 10009.3 LDB: Largest compute 4792 load 0.028720 is 24.4% of average load 0.117897 LDB: Average compute 0.001724 is 1.5% of average load 0.117897 LDB: TIME 10009.3 LOAD: AVG 0.117897 MAX 0.177586 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.375 MB LDB: TIME 10009.3 LOAD: AVG 0.117897 MAX 0.177586 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.574 MB LDB: TIME 10009.3 LOAD: AVG 0.117897 MAX 0.177586 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10009.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10009.3 PRESSURE: 3452400 -72.9832 -109.339 59.9762 -109.338 -127.448 4.8053 59.9767 4.80464 128.785 GPRESSURE: 3452400 -29.2763 -118.852 42.3934 -45.6799 -82.4138 -96.6722 78.3411 22.3251 140.25 PRESSAVG: 3452400 -11.7668 23.2132 59.3202 23.2131 24.1957 -38.2566 59.3201 -38.2566 -44.5128 GPRESSAVG: 3452400 -11.7533 24.1432 60.4055 24.3205 24.8559 -37.9341 60.2256 -37.1262 -45.5021 TIMING: 3452400 CPU: 10006.2, 0.00291834/step Wall: 10006.2, 0.00291834/step, 1.25456 hours remaining, 210.863281 MB of memory in use. ENERGY: 3452400 711.8898 2152.3980 1924.3736 102.6440 -206525.9238 17900.1579 0.0000 0.0000 34262.1751 -149472.2855 299.2201 -183734.4606 -149366.7217 299.0645 -23.8821 9.5200 556941.0824 -10.6946 -10.7998 PRESSURE: 3452600 148.951 105.05 -124.17 105.05 -89.9063 140.218 -124.172 140.218 236.517 GPRESSURE: 3452600 161.914 133.485 -63.8359 58.7321 -50.5749 160.396 -96.8458 138.31 276.243 PRESSAVG: 3452600 60.2506 27.4287 14.7079 27.4287 -23.2858 57.1529 14.708 57.1529 -47.1199 GPRESSAVG: 3452600 60.0939 27.6182 15.2479 27.7906 -23.22 55.6039 12.4853 57.8636 -46.9132 TIMING: 3452600 CPU: 10006.8, 0.00290299/step Wall: 10006.8, 0.00290299/step, 1.2478 hours remaining, 210.863281 MB of memory in use. ENERGY: 3452600 763.1153 2066.1194 1953.2941 105.0595 -206386.9813 17837.9544 0.0000 0.0000 34191.4358 -149470.0029 298.6023 -183661.4387 -149373.2552 298.9478 98.5204 129.1939 557201.5730 -3.3850 -3.3464 PRESSURE: 3452800 38.1518 -183.345 -37.3961 -183.344 259.64 -116.889 -37.3949 -116.888 170.239 GPRESSURE: 3452800 59.5835 -151.789 -65.0636 -262.04 331.685 -57.1113 36.3419 -155.864 171.394 PRESSAVG: 3452800 -5.81483 38.2322 -18.4322 38.2324 19.5853 31.57 -18.4321 31.5702 31.7972 GPRESSAVG: 3452800 -4.97529 37.5968 -19.0474 39.4154 19.2665 33.7047 -17.3844 28.4018 31.3472 TIMING: 3452800 CPU: 10007.4, 0.00288356/step Wall: 10007.4, 0.00288356/step, 1.23929 hours remaining, 210.863281 MB of memory in use. ENERGY: 3452800 755.5687 2107.2124 1957.8151 110.6066 -206805.7591 18230.5935 0.0000 0.0000 34209.3021 -149434.6607 298.7583 -183643.9628 -149332.6674 298.4162 156.0104 187.5543 555971.5502 15.1892 15.2128 PRESSURE: 3453000 135.885 -70.7973 -10.1968 -70.7979 56.857 -58.2488 -10.1975 -58.2486 138.451 GPRESSURE: 3453000 173.553 -91.204 -39.8079 -57.4334 89.973 -114.337 31.4394 -10.4506 159.456 PRESSAVG: 3453000 19.5867 49.0331 -37.4265 49.033 11.4291 -61.7047 -37.4265 -61.7046 -8.87799 GPRESSAVG: 3453000 18.7243 48.8112 -38.1029 47.4569 11.6659 -61.5996 -36.7474 -61.9871 -8.43096 TIMING: 3453000 CPU: 10007.9, 0.00291036/step Wall: 10007.9, 0.00291036/step, 1.25065 hours remaining, 210.863281 MB of memory in use. ENERGY: 3453000 746.4789 2087.3948 1946.4066 124.9588 -206034.3330 17728.7451 0.0000 0.0000 34095.5031 -149304.8457 297.7645 -183400.3488 -149204.6619 298.2442 110.3977 140.9940 556280.3655 7.3793 7.3198 PRESSURE: 3453200 18.3326 -148.556 -124.146 -148.555 -128.79 180.77 -124.147 180.77 -59.352 GPRESSURE: 3453200 88.3596 -228.192 -108.063 -98.4628 -116.598 212.604 -46.0688 128.562 -33.4316 PRESSAVG: 3453200 52.8514 36.5243 -33.3985 36.5243 11.5638 1.58505 -33.3986 1.58508 -45.7697 GPRESSAVG: 3453200 52.6187 35.6 -33.129 38.3868 11.5365 1.54404 -34.1335 2.59182 -45.7935 TIMING: 3453200 CPU: 10008.5, 0.00291348/step Wall: 10008.5, 0.00291348/step, 1.25183 hours remaining, 210.863281 MB of memory in use. ENERGY: 3453200 717.3769 2101.5348 1961.9336 102.8974 -205896.2763 17575.0047 0.0000 0.0000 34225.1361 -149212.3928 298.8966 -183437.5289 -149110.5756 299.0289 -56.6033 -20.5568 558003.9996 6.2152 6.1206 PRESSURE: 3453400 -231.285 129.151 -77.5754 129.152 -147.303 -81.7066 -77.5761 -81.7061 -116.087 GPRESSURE: 3453400 -183.562 126.506 -177.633 101.391 -111.405 -59.1624 0.386535 -62.3943 -114.574 PRESSAVG: 3453400 -1.07172 -20 12.5642 -20.0001 2.54625 -29.9448 12.5641 -29.9448 8.73025 GPRESSAVG: 3453400 -1.40447 -22.1903 10.6803 -20.3458 3.01515 -31.286 12.7809 -29.7778 8.50534 TIMING: 3453400 CPU: 10009.1, 0.00290458/step Wall: 10009.1, 0.00290458/step, 1.24784 hours remaining, 210.863281 MB of memory in use. ENERGY: 3453400 761.8355 2114.7830 1968.9559 117.8897 -205661.8534 17509.8829 0.0000 0.0000 34098.2262 -149090.2802 297.7883 -183188.5064 -148996.8284 299.3859 -164.8918 -136.5138 557831.9219 3.4016 3.3720 PRESSURE: 3453600 -124.431 31.8414 110.748 31.8416 -109.865 51.8105 110.748 51.8115 220.705 GPRESSURE: 3453600 -97.9552 13.6997 80.185 -96.3801 -85.0126 24.6482 203.84 -15.167 268.033 PRESSAVG: 3453600 69.3789 40.2145 53.777 40.2146 -58.5064 18.2271 53.777 18.227 -69.4136 GPRESSAVG: 3453600 67.4801 42.1456 55.8721 39.6002 -57.2666 16.9084 54.4934 19.8653 -68.814 TIMING: 3453600 CPU: 10009.7, 0.00288494/step Wall: 10009.7, 0.00288494/step, 1.23924 hours remaining, 210.863281 MB of memory in use. ENERGY: 3453600 726.7990 2122.6950 1969.7276 111.5209 -206166.5550 17686.4273 0.0000 0.0000 34412.9317 -149136.4536 300.5367 -183549.3853 -149038.9691 299.6977 -4.5303 28.3550 558737.6489 -19.5137 -19.5335 PRESSURE: 3453800 -30.2845 -12.1581 -32.7994 -12.1585 -51.7589 -69.3041 -32.7996 -69.303 104.534 GPRESSURE: 3453800 -6.61802 -25.5701 2.76019 18.082 -23.5799 -76.6375 -90.8938 -11.0168 147.778 PRESSAVG: 3453800 19.7118 -36.0292 74.6679 -36.0292 25.6859 -1.59055 74.6679 -1.59055 -8.89632 GPRESSAVG: 3453800 20.9416 -36.194 73.664 -34.9934 24.8292 1.13217 75.013 -2.89154 -9.00135 TIMING: 3453800 CPU: 10010.3, 0.00289558/step Wall: 10010.3, 0.00289558/step, 1.24365 hours remaining, 210.863281 MB of memory in use. ENERGY: 3453800 741.8510 2086.5529 1961.7986 112.4393 -206111.4536 17728.4403 0.0000 0.0000 34345.8010 -149134.5705 299.9504 -183480.3715 -149033.0493 300.1551 7.4969 39.1932 558321.7851 12.1671 12.2565 PRESSURE: 3454000 -126.522 -91.6767 151.292 -91.6773 -51.9851 -40.3565 151.292 -40.358 -37.305 GPRESSURE: 3454000 -109.397 -99.0814 124.803 -69.3694 -10.0293 44.9579 138.669 -42.076 8.96281 PRESSAVG: 3454000 37.5047 20.4209 -19.4758 20.4208 -54.756 -21.743 -19.4758 -21.7431 23.3695 GPRESSAVG: 3454000 36.8787 20.8274 -18.6128 20.1124 -54.4532 -20.8341 -21.4342 -23.9541 23.5519 TIMING: 3454000 CPU: 10010.8, 0.00289122/step Wall: 10010.8, 0.00289122/step, 1.24162 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3454000 777.6726 2048.6749 1940.8549 123.0076 -206206.9735 17838.0952 0.0000 0.0000 34371.7047 -149106.9635 300.1766 -183478.6683 -149023.5147 300.5765 -71.9374 -36.8213 557266.0555 2.0394 1.9925 PRESSURE: 3454200 154.294 121.072 -42.7421 121.073 -35.4684 35.5559 -42.7425 35.5582 76.3054 GPRESSURE: 3454200 169.372 176.636 -74.3716 79.0616 -52.4048 123.978 33.4071 -36.1253 176.006 PRESSAVG: 3454200 43.4856 93.5232 -35.9308 93.5232 -35.9684 38.8797 -35.9309 38.8796 -15.414 GPRESSAVG: 3454200 44.4028 93.6324 -35.008 92.9707 -36.667 37.322 -36.2729 42.3232 -15.743 TIMING: 3454200 CPU: 10011.4, 0.00287828/step Wall: 10011.4, 0.00287828/step, 1.2359 hours remaining, 210.863281 MB of memory in use. ENERGY: 3454200 745.5058 2089.3450 1976.0632 114.9683 -206560.1627 18056.5230 0.0000 0.0000 34275.4641 -149302.2932 299.3362 -183577.7573 -149212.2110 299.4598 65.0436 97.6578 557259.0828 -2.6323 -2.6691 PRESSURE: 3454400 106.449 -75.3751 8.43931 -75.3752 -83.9836 37.6745 8.43816 37.6762 -39.1511 GPRESSURE: 3454400 170.982 -47.3329 119.004 -89.4085 -44.4836 -11.835 -3.47797 -43.7561 -43.3501 PRESSAVG: 3454400 88.6731 12.3453 24.2976 12.3452 -19.787 2.32159 24.2976 2.32175 -37.0769 GPRESSAVG: 3454400 89.4794 11.213 22.6429 12.3354 -20.6956 2.68903 24.6715 0.0353475 -36.7666 TIMING: 3454400 CPU: 10012, 0.00289552/step Wall: 10012, 0.00289552/step, 1.24314 hours remaining, 210.863281 MB of memory in use. ENERGY: 3454400 762.8308 2094.8395 1943.3335 113.5854 -206131.9806 17945.4279 0.0000 0.0000 33885.1712 -149386.7922 295.9276 -183271.9634 -149296.4046 299.2795 -5.5619 27.7161 557604.8801 10.6031 10.6724 PRESSURE: 3454600 210.972 -94.9644 -8.07046 -94.9634 86.39 -8.11274 -8.07103 -8.11263 73.4481 GPRESSURE: 3454600 246.308 -198.791 -1.53475 -133.101 59.6354 139.56 -90.6645 -11.4605 153.346 PRESSAVG: 3454600 -9.24214 -26.1189 32.1113 -26.1189 -6.72828 -7.29041 32.1113 -7.29057 24.7075 GPRESSAVG: 3454600 -9.1898 -25.8537 31.7849 -25.5893 -6.36384 -8.68912 32.3917 -3.83781 23.8667 TIMING: 3454600 CPU: 10012.6, 0.00288386/step Wall: 10012.6, 0.00288386/step, 1.23798 hours remaining, 210.863281 MB of memory in use. ENERGY: 3454600 739.7264 2068.9534 1956.4761 116.8015 -206565.5255 18300.4519 0.0000 0.0000 34088.9249 -149294.1914 297.7071 -183383.1163 -149191.8617 298.9613 123.6032 153.0965 557781.1236 2.9124 2.7710 PRESSURE: 3454800 -200.751 156.388 -13.289 156.388 107.966 66.3592 -13.2884 66.3594 28.7887 GPRESSURE: 3454800 -122.547 211.78 -28.2421 110.732 130.581 119.619 22.5539 61.5967 27.6898 PRESSAVG: 3454800 1.82184 0.00973965 -3.50369 0.00976526 -3.50176 12.05 -3.50368 12.05 5.43529 GPRESSAVG: 3454800 1.8565 0.0197913 -3.90046 0.067034 -4.17257 12.8874 -2.05055 8.52338 6.41492 TIMING: 3454800 CPU: 10013.2, 0.00288214/step Wall: 10013.2, 0.00288214/step, 1.23708 hours remaining, 210.863281 MB of memory in use. ENERGY: 3454800 772.2059 2072.8078 1957.8726 121.7598 -206452.0356 17931.1707 0.0000 0.0000 34207.6232 -149388.5957 298.7437 -183596.2189 -149289.9205 298.8155 -21.3319 11.9081 557572.3432 1.2518 1.3663 PRESSURE: 3455000 15.0404 -52.3154 -127.872 -52.3152 11.6267 64.6081 -127.871 64.6077 -202.174 GPRESSURE: 3455000 22.2838 8.15027 -221.582 -14.1819 57.3597 119.841 -137.102 28.7186 -167.142 PRESSAVG: 3455000 -0.0656401 -17.0947 -14.7426 -17.0947 48.8049 29.5369 -14.7426 29.5368 -48.5689 GPRESSAVG: 3455000 -0.299538 -17.5819 -14.7589 -16.307 48.6784 28.8179 -15.2436 32.9511 -48.1732 TIMING: 3455000 CPU: 10013.7, 0.00286951/step Wall: 10013.7, 0.00286951/step, 1.2315 hours remaining, 210.863281 MB of memory in use. ENERGY: 3455000 727.2116 2073.6775 1943.9308 124.9983 -206383.9949 17807.9054 0.0000 0.0000 34307.2796 -149398.9916 299.6140 -183706.2713 -149297.3629 298.9607 -58.5022 -29.1660 556698.6645 0.0568 0.0685 PRESSURE: 3455200 27.4172 278.515 8.60369 278.516 -135.988 70.4207 8.60313 70.4216 -159.364 GPRESSURE: 3455200 63.0685 253.712 7.79788 292.997 -118.626 152.816 54.6391 68.7971 -103.174 PRESSAVG: 3455200 -24.5525 8.15351 -46.9606 8.15349 62.6974 30.5018 -46.9605 30.5018 -26.0214 GPRESSAVG: 3455200 -25.1838 9.74373 -47.5141 6.91893 64.5283 31.9905 -47.631 27.6288 -26.7388 TIMING: 3455200 CPU: 10014.3, 0.00290369/step Wall: 10014.3, 0.00290369/step, 1.24601 hours remaining, 210.863281 MB of memory in use. ENERGY: 3455200 797.8563 2091.0761 1944.6988 103.7558 -206730.7045 17995.1929 0.0000 0.0000 34279.6990 -149518.4256 299.3731 -183798.1246 -149423.1457 298.7120 -89.3114 -52.9103 556844.8854 4.0412 4.2019 PRESSURE: 3455400 -168.437 -165.73 -58.5195 -165.73 -54.9815 181.979 -58.5208 181.98 -57.3382 GPRESSURE: 3455400 -110.202 -166.641 -40.3641 -190.942 -78.374 223.129 -46.2312 132.565 11.5604 PRESSAVG: 3455400 -29.2817 -53.5873 -36.1145 -53.5873 -30.7284 -45.2115 -36.1146 -45.2114 22.8435 GPRESSAVG: 3455400 -28.9282 -53.525 -35.9934 -55.1884 -32.5323 -45.069 -35.8908 -46.9029 24.519 TIMING: 3455400 CPU: 10014.9, 0.00288204/step Wall: 10014.9, 0.00288204/step, 1.23655 hours remaining, 210.863281 MB of memory in use. ENERGY: 3455400 732.5729 2108.3383 1923.3793 110.3077 -206253.4940 17626.6576 0.0000 0.0000 34295.1473 -149457.0908 299.5081 -183752.2381 -149356.6412 298.4664 -93.5855 -59.0053 557405.9862 -12.3889 -12.3138 PRESSURE: 3455600 36.7802 -231.326 -33.3662 -231.326 94.9449 -86.9758 -33.3663 -86.9779 -102.127 GPRESSURE: 3455600 91.8965 -205.415 28.689 -266.956 138.5 -124.45 -63.5723 37.767 -109.353 PRESSAVG: 3455600 -20.9673 -15.9846 -35.0335 -15.9847 52.365 -4.47198 -35.0335 -4.47197 -11.0543 GPRESSAVG: 3455600 -20.572 -16.0856 -34.2243 -13.5981 52.9905 -5.20407 -34.1493 -0.950702 -11.5864 TIMING: 3455600 CPU: 10015.5, 0.00292441/step Wall: 10015.5, 0.00292441/step, 1.25457 hours remaining, 210.863281 MB of memory in use. ENERGY: 3455600 696.8990 2149.8735 1940.5964 118.0260 -206488.1436 17773.0878 0.0000 0.0000 34149.1716 -149660.4893 298.2332 -183809.6609 -149559.2772 298.6742 9.8660 40.3476 555941.1489 6.7811 6.9440 PRESSURE: 3455800 -43.8405 -132.689 15.9799 -132.69 -90.7166 -148.031 15.9811 -148.03 -112.145 GPRESSURE: 3455800 -23.2423 -120.454 87.3643 -152.839 -69.4082 -83.3392 90.5865 -122.543 -48.8612 PRESSAVG: 3455800 2.91189 15.7385 -0.670218 15.7384 57.361 3.19466 -0.670209 3.19462 -34.6738 GPRESSAVG: 3455800 3.83177 16.2531 0.315064 15.0374 56.7903 3.15489 -1.13659 1.27164 -35.4425 TIMING: 3455800 CPU: 10016.1, 0.00291042/step Wall: 10016.1, 0.00291042/step, 1.24841 hours remaining, 210.863281 MB of memory in use. ENERGY: 3455800 729.5186 2007.1520 1942.4000 105.4723 -206531.6782 17760.1522 0.0000 0.0000 34324.6865 -149662.2966 299.7660 -183986.9831 -149561.4542 298.4050 -82.2340 -47.1706 557090.5684 8.5330 8.3932 PRESSURE: 3456000 105.563 -101.34 -65.2389 -101.339 -91.7143 12.2882 -65.2398 12.2876 46.9564 GPRESSURE: 3456000 89.1124 -89.71 -164.444 -127.155 -33.6961 -21.5037 -39.1639 68.7216 112.088 PRESSAVG: 3456000 -13.5092 -36.9423 -43.199 -36.9423 -31.069 -34.0308 -43.199 -34.0307 29.9942 GPRESSAVG: 3456000 -15.5681 -40.2119 -43.4403 -36.806 -29.2625 -34.3361 -42.3764 -31.956 30.7249 TIMING: 3456000 CPU: 10016.6, 0.00287955/step Wall: 10016.6, 0.00287955/step, 1.23501 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3456000 762.3172 2100.9420 1954.7141 111.7975 -206606.1512 17949.2010 0.0000 0.0000 34190.9937 -149536.1857 298.5985 -183727.1794 -149437.5429 298.7054 20.2685 55.8348 558209.9357 -4.8614 -4.7019 PRESSURE: 3456200 76.4147 14.3323 -70.0079 14.3321 48.4528 -89.064 -70.0069 -89.0624 -65.6896 GPRESSURE: 3456200 133.452 -8.84326 -136.965 58.8632 77.5676 -124.378 -52.278 -70.2769 -59.6745 PRESSAVG: 3456200 26.6684 -45.8627 -15.9677 -45.8627 37.1306 -15.2323 -15.9677 -15.2323 -86.8395 GPRESSAVG: 3456200 28.1121 -42.9121 -16.46 -45.4165 36.2074 -14.2625 -17.2566 -17.6213 -87.1064 TIMING: 3456200 CPU: 10017.2, 0.00286367/step Wall: 10017.2, 0.00286367/step, 1.22804 hours remaining, 210.863281 MB of memory in use. ENERGY: 3456200 731.6421 2097.1787 1935.9039 114.1659 -206617.4313 17995.2684 0.0000 0.0000 34284.0175 -149459.2549 299.4109 -183743.2724 -149370.0975 299.2377 19.7259 50.4484 556782.9811 -7.6802 -7.5956 LDB: ============= START OF LOAD BALANCING ============== 10020.6 LDB: ============== END OF LOAD BALANCING =============== 10020.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10020.6 LDB: ============= START OF LOAD BALANCING ============== 10020.9 LDB: Largest compute 4792 load 0.028767 is 24.4% of average load 0.117972 LDB: Average compute 0.001729 is 1.5% of average load 0.117972 LDB: TIME 10020.9 LOAD: AVG 0.117972 MAX 0.17916 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 10020.9 LOAD: AVG 0.117972 MAX 0.17916 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 10020.9 LOAD: AVG 0.117972 MAX 0.17916 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: ============== END OF LOAD BALANCING =============== 10020.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10020.9 PRESSURE: 3456400 -352.523 -38.8154 -118.714 -38.816 -134.447 61.5337 -118.714 61.5342 -27.6246 GPRESSURE: 3456400 -304.375 -31.546 -112.391 -38.7324 -123.243 88.0614 -97.3808 191.536 15.0981 PRESSAVG: 3456400 14.3494 -15.0296 -35.7654 -15.0297 53.9468 75.5836 -35.7653 75.5835 -73.5558 GPRESSAVG: 3456400 14.9518 -16.0374 -37.1287 -16.2531 53.2053 72.7332 -33.6711 78.1091 -74.1958 TIMING: 3456400 CPU: 10017.8, 0.00295547/step Wall: 10017.8, 0.00295547/step, 1.26724 hours remaining, 211.691406 MB of memory in use. ENERGY: 3456400 738.5052 2067.7656 1925.7400 114.9243 -206119.3285 17492.3644 0.0000 0.0000 34321.2712 -149458.7579 299.7362 -183780.0290 -149355.6259 298.5815 -171.5315 -137.5065 557218.6625 -1.7532 -2.0129 PRESSURE: 3456600 99.5547 165.329 42.3947 165.329 210.126 26.3431 42.3951 26.3408 264.278 GPRESSURE: 3456600 181.644 119.447 46.8376 88.9597 223.328 82.7687 -16.8513 -3.13923 272.664 PRESSAVG: 3456600 -30.9375 5.4794 -28.4935 5.47942 54.4762 19.8528 -28.4934 19.8528 0.470408 GPRESSAVG: 3456600 -32.5052 4.39219 -26.1803 7.74152 55.5431 23.2385 -30.7765 16.9213 1.14185 TIMING: 3456600 CPU: 10018.4, 0.00288351/step Wall: 10018.4, 0.00288351/step, 1.23623 hours remaining, 212.152344 MB of memory in use. ENERGY: 3456600 729.1103 2157.5185 1950.8358 100.6944 -206847.9901 18129.2552 0.0000 0.0000 34352.8806 -149427.6954 300.0123 -183780.5760 -149331.8046 299.4426 191.3197 225.8789 555031.4463 8.0030 8.0599 PRESSURE: 3456800 168.907 84.3169 144.546 84.3166 279.75 38.9816 144.546 38.9791 246.714 GPRESSURE: 3456800 155.297 -21.7634 132.6 110.21 347.092 3.82589 143.494 61.6433 273.521 PRESSAVG: 3456800 -34.7899 22.0154 -50.791 22.0154 -25.7726 -20.6222 -50.791 -20.6223 57.0886 GPRESSAVG: 3456800 -32.4972 21.9187 -52.8127 21.1163 -26.693 -22.6253 -49.2553 -17.2228 55.7751 TIMING: 3456800 CPU: 10018.9, 0.00287042/step Wall: 10018.9, 0.00287042/step, 1.23045 hours remaining, 212.152344 MB of memory in use. ENERGY: 3456800 709.2890 2136.6844 1977.2430 125.0814 -206599.8286 18122.1224 0.0000 0.0000 34188.1289 -149341.2794 298.5734 -183529.4083 -149237.8016 298.9767 231.7902 258.6365 555953.6706 -1.1580 -1.1384 PRESSURE: 3457000 118.585 -97.2063 -36.3173 -97.2052 -73.8732 32.4061 -36.3166 32.4065 -241.426 GPRESSURE: 3457000 123.838 -103.438 -2.30135 -109.285 -36.9744 22.9182 -96.8333 98.4018 -183.694 PRESSAVG: 3457000 -49.2307 -25.4584 60.0348 -25.4584 2.94359 -2.28384 60.0348 -2.28395 63.2038 GPRESSAVG: 3457000 -51.8464 -24.1425 61.176 -26.1286 3.44902 -0.725661 59.3277 -5.55929 65.0391 TIMING: 3457000 CPU: 10019.5, 0.00288732/step Wall: 10019.5, 0.00288732/step, 1.23754 hours remaining, 212.152344 MB of memory in use. ENERGY: 3457000 745.8707 2086.0427 2005.8881 123.1087 -206382.8146 17700.7223 0.0000 0.0000 34532.7222 -149188.4598 301.5829 -183721.1820 -149091.7368 298.9254 -65.5714 -32.2767 556017.3864 5.6389 5.5473 PRESSURE: 3457200 -187.207 28.5652 96.964 28.5646 -255.144 172.047 96.9646 172.048 -74.9014 GPRESSURE: 3457200 -146.034 82.7868 110.975 -6.15677 -220.251 255.01 74.5047 57.7817 -44.4011 PRESSAVG: 3457200 -24.731 -9.70266 25.7342 -9.70267 14.728 20.2236 25.7341 20.2236 -3.90865 GPRESSAVG: 3457200 -22.6896 -9.65003 26.8057 -10.3535 14.6623 21.1287 25.8713 19.9878 -5.86463 TIMING: 3457200 CPU: 10020.1, 0.00286883/step Wall: 10020.1, 0.00286883/step, 1.22945 hours remaining, 212.152344 MB of memory in use. ENERGY: 3457200 745.6516 2092.6712 1952.2158 111.8320 -205817.9223 17393.1449 0.0000 0.0000 34366.4931 -149155.9137 300.1311 -183522.4068 -149055.6979 300.0578 -172.4174 -136.8953 557854.0279 -4.6372 -4.6307 PRESSURE: 3457400 194.034 70.1914 -35.9341 70.1917 6.19157 77.6954 -35.9358 77.6938 85.0446 GPRESSURE: 3457400 198.886 1.89998 12.8374 17.4542 40.7502 62.289 -92.4641 56.4383 146.787 PRESSAVG: 3457400 7.7361 47.6141 -18.7364 47.6142 35.2045 -14.1826 -18.7365 -14.1827 -20.1284 GPRESSAVG: 3457400 8.33489 46.9568 -20.1011 48.8105 35.2264 -17.1013 -17.0581 -11.3303 -20.1998 TIMING: 3457400 CPU: 10020.7, 0.00287671/step Wall: 10020.7, 0.00287671/step, 1.23267 hours remaining, 212.152344 MB of memory in use. ENERGY: 3457400 743.7273 2057.0322 1962.4503 102.5682 -206381.0835 17943.3162 0.0000 0.0000 34336.9790 -149235.0104 299.8734 -183571.9894 -149135.6502 299.5126 95.0900 128.8076 557148.4193 7.6041 7.7871 PRESSURE: 3457600 -52.1358 -169.523 -136.785 -169.523 -368.796 39.1683 -136.786 39.1677 -303.204 GPRESSURE: 3457600 1.80968 -174.462 -38.5181 -157.341 -322.139 38.6085 -257.25 45.833 -302.353 PRESSAVG: 3457600 -7.2955 5.12887 -29.0659 5.1288 23.3509 5.09759 -29.0659 5.09756 -42.4763 GPRESSAVG: 3457600 -8.04213 5.69412 -27.2233 4.9778 24.6276 7.38777 -29.7456 2.82859 -42.3705 TIMING: 3457600 CPU: 10021.2, 0.00290238/step Wall: 10021.2, 0.00290238/step, 1.24351 hours remaining, 212.152344 MB of memory in use. ENERGY: 3457600 780.2045 1980.0091 1979.0223 111.6417 -205840.2397 17522.2835 0.0000 0.0000 34302.0304 -149165.0482 299.5682 -183467.0786 -149074.2161 299.5124 -241.3786 -207.5606 558721.6510 -8.8070 -8.5950 PRESSURE: 3457800 -195.155 -64.2616 -22.4291 -64.2624 -286.406 -19.6792 -22.4287 -19.6785 -170.574 GPRESSURE: 3457800 -134.183 -57.2353 -92.0189 -79.5483 -306.816 -48.677 -57.8563 5.3004 -106.811 PRESSAVG: 3457800 12.277 27.9662 -1.18994 27.9662 -50.2092 -67.7078 -1.18986 -67.7078 -22.0075 GPRESSAVG: 3457800 12.4071 26.9992 -2.49318 28.1936 -52.362 -68.1956 -1.28277 -66.4053 -19.7341 TIMING: 3457800 CPU: 10021.8, 0.0029045/step Wall: 10021.8, 0.0029045/step, 1.24425 hours remaining, 212.152344 MB of memory in use. ENERGY: 3457800 742.0850 2079.0301 1940.1999 106.0087 -205445.6364 17403.7929 0.0000 0.0000 34258.3139 -148916.2058 299.1864 -183174.5197 -148824.0912 299.8467 -217.3783 -182.6031 557962.1048 -19.9799 -19.8963 PRESSURE: 3458000 -103.465 -127.192 51.7849 -127.193 -135.232 -4.35247 51.785 -4.35072 20.4976 GPRESSURE: 3458000 -37.5192 -74.422 29.8469 -90.4107 -116.626 -17.8188 145.04 60.8021 35.5612 PRESSAVG: 3458000 7.40344 1.2659 5.89963 1.2658 10.8183 3.70668 5.89962 3.7066 8.09267 GPRESSAVG: 3458000 7.30564 1.8804 6.81308 2.19274 12.3911 3.98275 6.01659 2.54133 6.18342 TIMING: 3458000 CPU: 10022.4, 0.00288846/step Wall: 10022.4, 0.00288846/step, 1.23723 hours remaining, 212.152344 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: 3458000 760.3889 2036.9248 1949.8794 122.0804 -205733.5587 17739.1771 0.0000 0.0000 34286.8241 -148838.2840 299.4354 -183125.1081 -148743.1908 300.1863 -72.7332 -39.5279 558688.2902 8.7715 8.6267 PRESSURE: 3458200 42.4976 -138.661 -188.863 -138.661 -103.979 -101.608 -188.864 -101.608 -83.9855 GPRESSURE: 3458200 43.9772 -129.042 -81.286 -145.633 -56.9238 -125.046 -208.747 27.6468 -37.6784 PRESSAVG: 3458200 2.21872 -7.55313 7.26127 -7.553 -37.0055 57.474 7.26129 57.4741 29.5856 GPRESSAVG: 3458200 3.06609 -6.35201 7.6929 -8.80624 -37.7851 57.1991 6.85786 57.7736 29.835 TIMING: 3458200 CPU: 10023, 0.00291304/step Wall: 10023, 0.00291304/step, 1.24759 hours remaining, 212.152344 MB of memory in use. ENERGY: 3458200 762.1620 2068.2055 1951.7259 112.1860 -205587.7543 17490.3674 0.0000 0.0000 34386.0827 -148817.0249 300.3022 -183203.1075 -148719.1286 300.9031 -48.4891 -16.8750 557394.1977 -1.7337 -1.6280 PRESSURE: 3458400 205.9 2.632 25.0549 2.63305 -380.873 -136.792 25.0541 -136.79 -151.096 GPRESSURE: 3458400 233.252 31.7957 -29.7487 -9.85001 -350.429 -149.849 65.8028 -175.297 -123.714 PRESSAVG: 3458400 60.6831 -76.6857 -7.45659 -76.6856 -77.9895 -8.93625 -7.45664 -8.93621 11.8342 GPRESSAVG: 3458400 60.2077 -77.7095 -8.12709 -77.5339 -77.3641 -9.19041 -9.77825 -9.57606 11.8822 TIMING: 3458400 CPU: 10023.6, 0.00291782/step Wall: 10023.6, 0.00291782/step, 1.24947 hours remaining, 212.152344 MB of memory in use. ENERGY: 3458400 754.3660 2076.0226 1958.5491 114.0890 -205672.9042 17658.1972 0.0000 0.0000 34343.4895 -148768.1908 299.9302 -183111.6803 -148668.8659 300.3893 -108.6896 -80.2970 559014.8514 -1.8241 -1.7581 PRESSURE: 3458600 -219.482 94.2624 38.8621 94.2623 1.02152 -14.319 38.862 -14.319 1.8951 GPRESSURE: 3458600 -91.4381 110.75 30.3697 37.1809 7.4655 -28.743 1.10679 -14.6028 -24.2453 PRESSAVG: 3458600 42.2657 25.8607 -44.6441 25.8606 4.09755 6.10542 -44.6441 6.10552 -42.7251 GPRESSAVG: 3458600 42.4707 26.4389 -46.3054 25.2739 2.8689 5.66231 -42.9551 5.83199 -41.755 TIMING: 3458600 CPU: 10024.2, 0.00289686/step Wall: 10024.2, 0.00289686/step, 1.24034 hours remaining, 212.152344 MB of memory in use. ENERGY: 3458600 713.9708 2042.5156 1933.8441 120.4228 -205840.9301 17656.4727 0.0000 0.0000 34574.7650 -148798.9393 301.9500 -183373.7043 -148691.7527 299.9986 -72.1883 -36.0726 559705.7925 1.2127 1.1949 PRESSURE: 3458800 -96.9939 1.33321 -142.925 1.33452 9.97911 39.3472 -142.926 39.3463 16.5102 GPRESSURE: 3458800 -39.3273 -8.0395 -190.168 6.28846 -0.468283 53.9477 -112.692 59.3592 68.2755 PRESSAVG: 3458800 -6.77 16.531 -28.8715 16.5311 32.0702 20.8289 -28.8715 20.829 -51.4169 GPRESSAVG: 3458800 -6.4521 16.7111 -28.7692 17.0657 32.1812 20.959 -27.74 21.0776 -51.8606 TIMING: 3458800 CPU: 10024.7, 0.00289556/step Wall: 10024.7, 0.00289556/step, 1.23962 hours remaining, 212.152344 MB of memory in use. ENERGY: 3458800 780.0958 2062.9012 1958.8097 114.3399 -206015.1567 17904.9556 0.0000 0.0000 34313.0664 -148880.9882 299.6645 -183194.0545 -148783.3795 300.3236 -23.5015 9.4933 558355.1922 -8.7056 -8.7105 PRESSURE: 3459000 -188.431 57.4797 8.46443 57.479 -29.7907 44.9976 8.46436 44.9971 -279.209 GPRESSURE: 3459000 -111.855 7.055 -35.4609 98.0255 -31.8343 105.645 105.266 -28.204 -242.481 PRESSAVG: 3459000 55.9001 -25.0778 9.35818 -25.0778 -15.1251 67.0323 9.35814 67.0323 -27.6372 GPRESSAVG: 3459000 55.6687 -22.9284 10.5335 -26.5927 -15.2864 67.8273 10.8799 67.6576 -27.2564 TIMING: 3459000 CPU: 10025.3, 0.00288454/step Wall: 10025.3, 0.00288454/step, 1.23475 hours remaining, 212.152344 MB of memory in use. ENERGY: 3459000 728.3171 2075.4811 1937.3210 114.5265 -205408.0468 17314.4832 0.0000 0.0000 34356.6567 -148881.2612 300.0452 -183237.9179 -148787.1996 300.1154 -165.8103 -128.7237 560404.8079 4.3793 4.3753 PRESSURE: 3459200 -148.07 -54.9988 170.14 -54.9991 123.298 39.2499 170.139 39.2498 200.597 GPRESSURE: 3459200 -74.1475 -134.566 117.277 -26.1262 126.245 24.3198 140.318 31.6831 221.02 PRESSAVG: 3459200 -33.8347 -17.9697 37.034 -17.9698 23.2828 0.942366 37.0338 0.942337 42.0854 GPRESSAVG: 3459200 -33.9683 -23.6804 37.6895 -15.5138 23.4253 -0.50079 35.0755 0.33122 41.6055 TIMING: 3459200 CPU: 10025.9, 0.00290081/step Wall: 10025.9, 0.00290081/step, 1.24155 hours remaining, 212.152344 MB of memory in use. ENERGY: 3459200 726.1811 2095.5843 1934.5514 111.9613 -205943.1288 17732.5602 0.0000 0.0000 34316.2045 -149026.0860 299.6919 -183342.2906 -148930.7129 299.8576 58.6083 91.0393 557758.4584 10.5112 10.3541 PRESSURE: 3459400 -175.98 -3.67961 147.62 -3.68065 9.09467 -16.7688 147.62 -16.7684 268.139 GPRESSURE: 3459400 -118.517 -35.5768 137.948 48.568 3.90877 -79.6288 156.108 -37.194 318.684 PRESSAVG: 3459400 -11.0115 25.8437 15.9548 25.8436 -11.822 -22.7351 15.9547 -22.7352 -3.89297 GPRESSAVG: 3459400 -11.5777 28.5097 14.6104 24.4097 -11.8198 -21.2739 16.969 -21.1053 -3.57746 TIMING: 3459400 CPU: 10026.5, 0.00290291/step Wall: 10026.5, 0.00290291/step, 1.24228 hours remaining, 212.167969 MB of memory in use. ENERGY: 3459400 762.0135 2102.0089 1946.6479 110.1449 -206173.2535 17731.7850 0.0000 0.0000 34159.6223 -149361.0310 298.3245 -183520.6533 -149262.8525 299.1250 33.7510 68.0253 556314.1357 -8.9088 -8.9917 PRESSURE: 3459600 -80.7181 20.7404 41.0264 20.741 -107.234 -58.69 41.0267 -58.6894 -400.337 GPRESSURE: 3459600 -75.0246 67.5301 36.9988 50.5884 -67.5416 -131.254 28.8171 -39.8009 -360.242 PRESSAVG: 3459600 15.3033 0.896315 -21.1697 0.896402 -30.9519 30.7401 -21.1697 30.74 3.96765 GPRESSAVG: 3459600 15.7537 2.2415 -23.0235 1.58684 -31.6294 30.2399 -21.5072 28.9971 3.98838 TIMING: 3459600 CPU: 10027.1, 0.00291817/step Wall: 10027.1, 0.00291817/step, 1.24865 hours remaining, 212.167969 MB of memory in use. ENERGY: 3459600 759.3370 2098.1461 1950.0837 126.0859 -205793.7851 17459.4576 0.0000 0.0000 34256.0588 -149144.6161 299.1667 -183400.6748 -149046.9387 299.5509 -196.0965 -167.6026 555333.3740 -3.8936 -3.9625 PRESSURE: 3459800 -278.353 134.756 15.4419 134.757 263.567 5.34813 15.4406 5.34535 107.964 GPRESSURE: 3459800 -195.967 178.081 33.4474 95.605 241.676 -54.4576 31.9878 52.5733 139.825 PRESSAVG: 3459800 -19.598 37.0806 11.7802 37.0807 -7.00181 -27.4956 11.7802 -27.4956 2.9022 GPRESSAVG: 3459800 -19.4583 37.1942 12.4105 35.3272 -6.58878 -26.4731 10.3783 -29.0449 2.68648 TIMING: 3459800 CPU: 10027.6, 0.00290453/step Wall: 10027.6, 0.00290453/step, 1.24266 hours remaining, 212.167969 MB of memory in use. ENERGY: 3459800 752.0887 2142.7326 1951.6200 116.5081 -206300.7656 17867.8503 0.0000 0.0000 34308.9979 -149160.9680 299.6290 -183469.9659 -149067.2492 299.0238 31.0595 61.8447 557683.9789 -7.8992 -7.7869 PRESSURE: 3460000 -23.1697 -86.9064 -19.7188 -86.9072 -20.6862 4.06738 -19.7178 4.06631 155.349 GPRESSURE: 3460000 7.21468 -37.9414 6.84803 -158.342 -3.6822 45.7342 -16.5335 -31.0556 201.202 PRESSAVG: 3460000 -17.8988 7.5712 -6.61721 7.57121 19.9003 35.7504 -6.61723 35.7505 -6.87254 GPRESSAVG: 3460000 -16.7381 5.67473 -5.44823 7.821 19.8228 34.2603 -7.07359 37.4096 -8.15765 TIMING: 3460000 CPU: 10028.2, 0.0029114/step Wall: 10028.2, 0.0029114/step, 1.24543 hours remaining, 212.167969 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: 3460000 730.8582 2077.1777 1980.6742 112.7073 -206416.0610 17839.7196 0.0000 0.0000 34400.6302 -149274.2938 300.4293 -183674.9240 -149171.3263 299.6031 37.1643 68.2448 557148.6639 -1.6237 -1.6910 PRESSURE: 3460200 -114.562 -58.9856 -34.8341 -58.9858 -148.18 -91.7277 -34.8345 -91.7296 260.716 GPRESSURE: 3460200 -68.757 7.96059 -49.5569 37.5354 -153.382 -4.46104 0.353616 -136.875 312.031 PRESSAVG: 3460200 -14.963 -16.8604 -16.2346 -16.8605 -30.5332 10.9894 -16.2345 10.9895 47.2747 GPRESSAVG: 3460200 -15.3301 -14.919 -16.5784 -15.7261 -31.4926 11.8188 -15.5052 10.8065 48.2132 TIMING: 3460200 CPU: 10028.8, 0.00290003/step Wall: 10028.8, 0.00290003/step, 1.24041 hours remaining, 212.167969 MB of memory in use. ENERGY: 3460200 752.3645 2144.6051 1945.6792 123.4261 -206222.3606 17759.8189 0.0000 0.0000 34406.3272 -149090.1397 300.4790 -183496.4669 -148991.4367 299.5611 -0.6751 29.9641 557482.7468 0.5928 0.4635 LDB: ============= START OF LOAD BALANCING ============== 10032.2 LDB: ============== END OF LOAD BALANCING =============== 10032.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10032.2 LDB: ============= START OF LOAD BALANCING ============== 10032.5 LDB: Largest compute 4772 load 0.026420 is 22.4% of average load 0.118003 LDB: Average compute 0.001725 is 1.5% of average load 0.118003 LDB: TIME 10032.5 LOAD: AVG 0.118003 MAX 0.177954 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.535 MB LDB: TIME 10032.5 LOAD: AVG 0.118003 MAX 0.177954 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.535 MB LDB: TIME 10032.5 LOAD: AVG 0.118003 MAX 0.177954 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10032.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10032.5 PRESSURE: 3460400 -59.4207 -49.7798 19.537 -49.7795 -3.54298 94.0397 19.5364 94.0393 -220.473 GPRESSURE: 3460400 -47.9926 -89.2903 21.4694 -86.9875 18.1333 74.7145 17.1978 50.5162 -156.141 PRESSAVG: 3460400 -28.2703 0.386749 -11.3283 0.386719 1.14839 -27.9556 -11.3282 -27.9555 19.634 GPRESSAVG: 3460400 -28.7369 0.38287 -9.79985 -1.39917 1.8545 -27.1102 -12.0996 -26.48 19.019 TIMING: 3460400 CPU: 10029.4, 0.00294032/step Wall: 10029.4, 0.00294032/step, 1.25748 hours remaining, 210.976562 MB of memory in use. ENERGY: 3460400 725.4266 2082.6780 1947.1248 117.4735 -206002.3493 17683.7553 0.0000 0.0000 34459.1737 -148986.7173 300.9405 -183445.8911 -148888.5208 300.3018 -94.4790 -62.0002 557890.2532 -2.4960 -2.6212 PRESSURE: 3460600 -102.306 -4.28093 188.294 -4.27997 -77.3334 -65.2573 188.293 -65.2592 -127.12 GPRESSURE: 3460600 5.33897 -22.5628 177.12 -7.83598 -91.9165 -70.8749 139.662 -7.20038 -116.777 PRESSAVG: 3460600 99.9703 -30.7095 -1.49413 -30.7094 27.6723 11.6365 -1.49415 11.6365 -87.0026 GPRESSAVG: 3460600 100.372 -32.0978 -3.42359 -30.5508 27.7074 9.33823 -1.44699 13.0615 -87.231 TIMING: 3460600 CPU: 10030, 0.0028891/step Wall: 10030, 0.0028891/step, 1.23541 hours remaining, 210.976562 MB of memory in use. ENERGY: 3460600 748.1798 2138.6179 1945.0195 103.8050 -206013.7343 17819.2302 0.0000 0.0000 34323.4836 -148935.3983 299.7555 -183258.8819 -148833.7890 299.8202 -102.2532 -67.7847 558764.6167 13.5467 13.6161 PRESSURE: 3460800 185.159 20.5805 -58.352 20.5816 124.21 8.93473 -58.3518 8.93638 135.098 GPRESSURE: 3460800 220.607 25.1419 -86.5081 16.3206 193.451 -13.9837 33.4757 -28.1142 139.098 PRESSAVG: 3460800 -12.6951 63.9914 -27.4986 63.9913 63.7305 -28.8321 -27.4987 -28.8322 -35.4425 GPRESSAVG: 3460800 -13.2318 62.9976 -28.1701 65.1562 64.4162 -29.1168 -25.2637 -31.9232 -35.2785 TIMING: 3460800 CPU: 10030.5, 0.00291569/step Wall: 10030.5, 0.00291569/step, 1.24662 hours remaining, 210.976562 MB of memory in use. ENERGY: 3460800 735.5419 2104.8264 1971.9142 116.1286 -206216.7027 18159.2386 0.0000 0.0000 34363.7881 -148765.2650 300.1075 -183129.0530 -148664.6264 299.5345 148.1560 184.3856 559781.8591 5.1977 5.3019 PRESSURE: 3461000 -7.51731 91.4051 -84.3662 91.4058 -128.52 -46.5833 -84.3661 -46.5832 -198.054 GPRESSURE: 3461000 14.4108 139.536 -64.1246 109.525 -54.4035 -102.894 -92.7421 1.82585 -192.645 PRESSAVG: 3461000 80.0955 -5.89122 -22.2317 -5.89125 -20.084 2.62777 -22.2316 2.62775 -10.8392 GPRESSAVG: 3461000 79.8164 -5.39981 -23.0927 -6.76361 -20.6833 3.57389 -23.8484 3.58341 -10.0436 TIMING: 3461000 CPU: 10031.1, 0.00289698/step Wall: 10031.1, 0.00289698/step, 1.23846 hours remaining, 210.976562 MB of memory in use. ENERGY: 3461000 767.0978 2117.1195 1973.2764 104.7592 -205873.5351 17684.3319 0.0000 0.0000 34647.6358 -148579.3145 302.5864 -183226.9502 -148483.7731 300.2013 -111.3638 -77.5460 560115.8034 16.3907 16.3632 PRESSURE: 3461200 -11.0037 -85.268 17.7299 -85.2669 199.731 -26.9204 17.7289 -26.9196 228.637 GPRESSURE: 3461200 34.7412 -27.6537 17.5214 -127.702 201.587 -127.467 8.27014 49.4382 278.859 PRESSAVG: 3461200 36.4475 -1.03742 25.1527 -1.03731 18.0521 -7.29856 25.1527 -7.29847 -38.7952 GPRESSAVG: 3461200 37.8823 -1.36092 27.3523 0.291373 17.2528 -7.37118 24.3464 -6.41551 -39.7234 TIMING: 3461200 CPU: 10031.7, 0.00292006/step Wall: 10031.7, 0.00292006/step, 1.24816 hours remaining, 210.976562 MB of memory in use. ENERGY: 3461200 746.6559 2147.9490 1969.1783 130.2592 -205944.3223 17914.1724 0.0000 0.0000 34355.8178 -148680.2897 300.0379 -183036.1074 -148581.1270 301.2600 139.1216 171.7291 558034.7436 5.2348 5.1372 PRESSURE: 3461400 -286.339 -143.6 19.8805 -143.6 -284.572 2.87921 19.8798 2.8811 -175.979 GPRESSURE: 3461400 -265.161 -143.498 36.7691 -127.687 -250.056 -13.4339 -0.139473 -60.1766 -122.321 PRESSAVG: 3461400 18.6221 32.3501 3.93242 32.3502 -7.76091 31.9002 3.93238 31.9003 36.2222 GPRESSAVG: 3461400 17.6822 31.5697 3.61561 31.8152 -6.74734 31.7597 4.12331 32.0238 36.498 TIMING: 3461400 CPU: 10032.3, 0.00290605/step Wall: 10032.3, 0.00290605/step, 1.24201 hours remaining, 210.976562 MB of memory in use. ENERGY: 3461400 734.2899 2091.4796 1920.4089 106.3065 -205479.8743 17403.4902 0.0000 0.0000 34426.8471 -148797.0521 300.6582 -183223.8991 -148693.6516 300.4418 -248.9632 -212.5129 561267.4045 15.6945 15.8110 PRESSURE: 3461600 -27.0971 44.6257 19.2631 44.6255 -282.295 -32.5021 19.2628 -32.501 -197.842 GPRESSURE: 3461600 -5.96673 55.9688 27.1593 50.8926 -238.332 -43.4146 55.3632 7.51191 -164.79 PRESSAVG: 3461600 17.6201 -25.9701 -26.8639 -25.9701 -8.20138 15.3747 -26.8638 15.3748 -28.6565 GPRESSAVG: 3461600 18.1691 -24.8454 -26.1859 -26.11 -9.22056 15.7359 -27.0036 14.906 -28.5393 TIMING: 3461600 CPU: 10032.9, 0.00289761/step Wall: 10032.9, 0.00289761/step, 1.23824 hours remaining, 210.976562 MB of memory in use. ENERGY: 3461600 748.8311 2039.5764 1974.3658 121.3471 -205106.1403 17318.8324 0.0000 0.0000 34209.8403 -148693.3472 298.7630 -182903.1875 -148602.3123 300.3338 -169.0779 -136.3628 558834.4501 -6.4126 -6.5302 PRESSURE: 3461800 -247.801 79.1953 230.369 79.1953 -372.962 -59.6007 230.369 -59.6002 -81.9877 GPRESSURE: 3461800 -210.686 -38.1456 284.795 120.61 -316.175 -129.827 207.782 23.4678 -71.2691 PRESSAVG: 3461800 26.4181 32.9589 -0.759386 32.9589 20.0288 25.544 -0.759448 25.5441 -24.804 GPRESSAVG: 3461800 26.3916 32.486 -1.5412 33.4086 21.1711 25.4614 -0.0328307 25.467 -25.4402 TIMING: 3461800 CPU: 10033.4, 0.00289484/step Wall: 10033.4, 0.00289484/step, 1.2369 hours remaining, 210.976562 MB of memory in use. ENERGY: 3461800 727.5581 2069.0103 1941.5539 106.9912 -205260.5071 17426.2556 0.0000 0.0000 34277.7653 -148711.3728 299.3563 -182989.1381 -148616.9093 300.9149 -234.2505 -199.3767 560290.3586 7.2143 7.3742 PRESSURE: 3462000 -42.3725 7.07375 -91.9199 7.0725 -134.213 -3.23422 -91.9195 -3.23457 -201.279 GPRESSURE: 3462000 22.9155 -24.3102 -36.8414 -51.9281 -123.706 20.759 -3.34969 1.07583 -175.118 PRESSAVG: 3462000 22.4371 53.7598 62.009 53.7599 37.1935 30.0204 62.0091 30.0203 -59.571 GPRESSAVG: 3462000 22.3523 53.854 61.7617 53.3433 35.2112 29.7758 62.0093 30.1401 -57.9331 TIMING: 3462000 CPU: 10034, 0.0028842/step Wall: 10034, 0.0028842/step, 1.2322 hours remaining, 210.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3462000 753.6061 2039.8906 1939.5955 112.5187 -205477.0698 17634.9808 0.0000 0.0000 34335.7484 -148660.7297 299.8626 -182996.4781 -148556.1410 301.0458 -125.9547 -91.9696 560111.5760 0.0199 -0.1232 PRESSURE: 3462200 -189.084 227.568 168.578 227.567 -137.642 -115.315 168.578 -115.312 -123.707 GPRESSURE: 3462200 -170.093 225.132 117.237 300.542 -75.6054 -96.7981 139.498 -86.0719 -111.424 PRESSAVG: 3462200 6.3618 25.9549 18.8205 25.9549 49.8925 41.2865 18.8204 41.2866 1.47402 GPRESSAVG: 3462200 7.16242 26.9718 17.8313 26.6546 50.8513 42.1387 19.1604 40.1764 -0.712179 TIMING: 3462200 CPU: 10034.6, 0.00290156/step Wall: 10034.6, 0.00290156/step, 1.23945 hours remaining, 210.976562 MB of memory in use. ENERGY: 3462200 761.4689 2087.2657 1939.5011 124.1392 -205783.6267 17655.1077 0.0000 0.0000 34372.8470 -148843.2970 300.1866 -183216.1440 -148742.1438 301.2073 -150.1444 -119.0410 559599.1829 19.2428 19.1005 PRESSURE: 3462400 -217.965 -96.1374 66.1512 -96.1372 -159.052 100.193 66.1522 100.192 36.5869 GPRESSURE: 3462400 -145.617 -104.084 44.5827 -119.289 -137.747 29.7202 111.063 103.386 41.8894 PRESSAVG: 3462400 -19.6572 43.2567 35.5475 43.2566 10.0151 -11.4301 35.5474 -11.4301 63.2529 GPRESSAVG: 3462400 -20.3399 42.4249 37.2798 41.4735 10.5742 -13.2792 33.7222 -11.2173 63.2718 TIMING: 3462400 CPU: 10035.2, 0.00289167/step Wall: 10035.2, 0.00289167/step, 1.23507 hours remaining, 210.976562 MB of memory in use. ENERGY: 3462400 760.1259 2015.7881 1963.7401 106.8065 -205585.1103 17535.9931 0.0000 0.0000 34311.9226 -148890.7340 299.6546 -183202.6566 -148785.0644 300.1909 -113.4767 -80.4916 557291.6744 17.8703 17.8354 PRESSURE: 3462600 -11.5947 -42.9725 -50.1441 -42.9718 -52.9508 -67.4055 -50.143 -67.4077 30.3901 GPRESSURE: 3462600 15.6928 -9.87666 -103.938 11.7194 -44.6397 -103.353 -41.4409 -57.5096 95.7736 PRESSAVG: 3462600 46.9288 4.79581 -33.4093 4.79591 -3.78568 11.4697 -33.4093 11.4698 -35.0027 GPRESSAVG: 3462600 46.4824 4.24553 -35.2012 6.24156 -3.74511 11.4012 -32.9151 11.4274 -34.5915 TIMING: 3462600 CPU: 10035.8, 0.00289495/step Wall: 10035.8, 0.00289495/step, 1.2363 hours remaining, 210.976562 MB of memory in use. ENERGY: 3462600 699.8602 2042.7751 1961.0189 120.7467 -205411.7796 17435.2845 0.0000 0.0000 34243.7189 -148908.3753 299.0589 -183152.0942 -148815.5529 300.0509 -11.3851 22.2755 556918.4934 2.7135 2.7153 PRESSURE: 3462800 6.12864 -24.6608 -48.993 -24.6611 -232.137 -140.4 -48.9932 -140.4 -154.001 GPRESSURE: 3462800 72.9091 -51.0493 -89.9188 -35.0474 -178.506 -72.3595 29.0356 -230.186 -171.584 PRESSAVG: 3462800 46.9609 -25.1005 -62.1959 -25.1006 -47.9682 29.9993 -62.196 29.9993 34.087 GPRESSAVG: 3462800 47.292 -24.6715 -59.5359 -25.5004 -47.1371 32.1426 -62.9255 28.9037 33.1143 TIMING: 3462800 CPU: 10036.3, 0.0028827/step Wall: 10036.3, 0.0028827/step, 1.23091 hours remaining, 210.976562 MB of memory in use. ENERGY: 3462800 741.7239 2116.1406 1960.2219 124.5399 -205667.1936 17652.0552 0.0000 0.0000 34176.5791 -148895.9331 298.4726 -183072.5121 -148798.8346 299.8809 -126.6699 -92.3936 558294.3024 11.0266 11.0897 PRESSURE: 3463000 213.779 -58.3922 -4.79795 -58.3936 74.8257 -34.8147 -4.79927 -34.8145 78.4508 GPRESSURE: 3463000 217.737 -95.0995 85.0489 -33.6547 114.274 1.08101 -29.1106 47.7653 130.154 PRESSAVG: 3463000 -9.309 -8.79669 -34.9108 -8.79672 50.6782 7.15722 -34.9107 7.15715 -43.7441 GPRESSAVG: 3463000 -10.0365 -9.89785 -36.5967 -8.88488 49.8467 5.66371 -35.6246 9.4726 -42.18 TIMING: 3463000 CPU: 10036.9, 0.00288024/step Wall: 10036.9, 0.00288024/step, 1.2297 hours remaining, 210.976562 MB of memory in use. ENERGY: 3463000 783.4818 2102.5063 1931.9807 118.4879 -206271.0047 18094.6447 0.0000 0.0000 34289.4647 -148950.4385 299.4584 -183239.9032 -148864.1176 299.4498 122.3517 154.0549 557318.1987 -0.7916 -0.7899 PRESSURE: 3463200 -192.889 5.06726 -304.789 5.0684 -21.7219 -6.77707 -304.789 -6.77929 111.323 GPRESSURE: 3463200 -164.048 -80.5802 -302.034 40.3607 -2.18988 -77.3811 -251.202 29.8304 146.225 PRESSAVG: 3463200 6.55658 40.9008 -42.1335 40.901 42.7744 7.86243 -42.1334 7.86246 10.1668 GPRESSAVG: 3463200 7.44079 41.8435 -42.3522 41.3125 42.5505 7.12843 -38.9946 6.63707 9.28894 TIMING: 3463200 CPU: 10037.5, 0.00289186/step Wall: 10037.5, 0.00289186/step, 1.2345 hours remaining, 210.976562 MB of memory in use. ENERGY: 3463200 733.7994 2074.3677 1953.7518 122.8601 -205927.2786 17796.3161 0.0000 0.0000 34201.0418 -149045.1417 298.6862 -183246.1836 -148950.5914 300.2198 -34.4291 -6.6710 558255.8525 19.8326 19.7601 PRESSURE: 3463400 -132.25 -84.0652 -138.314 -84.0646 131.649 118.187 -138.313 118.187 -174.184 GPRESSURE: 3463400 -67.2472 -149.303 -162.519 -95.2431 89.4155 13.2612 -153.787 200.024 -98.8173 PRESSAVG: 3463400 -120.702 0.817275 -65.672 0.817243 79.4556 -16.9362 -65.672 -16.9363 50.1424 GPRESSAVG: 3463400 -122.013 -0.846418 -64.4397 1.36779 79.5893 -15.7999 -67.047 -18.0818 51.3453 TIMING: 3463400 CPU: 10038.1, 0.00290075/step Wall: 10038.1, 0.00290075/step, 1.23814 hours remaining, 210.976562 MB of memory in use. ENERGY: 3463400 713.8071 2107.5243 1955.2929 101.8048 -205873.9607 17637.3521 0.0000 0.0000 34191.9887 -149166.1908 298.6071 -183358.1795 -149066.4838 299.8846 -58.2618 -25.5497 557284.5331 2.9655 2.9738 PRESSURE: 3463600 -75.1287 -78.273 49.2502 -78.2742 34.5552 -12.8356 49.2506 -12.8366 344.948 GPRESSURE: 3463600 -29.8884 -74.9309 -38.4731 -77.9527 61.5424 -53.0865 5.61268 90.4565 371.809 PRESSAVG: 3463600 -10.4238 18.0077 8.30819 18.0077 11.9538 50.8138 8.30815 50.8138 35.3548 GPRESSAVG: 3463600 -9.51827 21.3128 6.06755 16.0196 11.505 50.8342 8.22454 52.8332 34.0694 TIMING: 3463600 CPU: 10038.7, 0.0029069/step Wall: 10038.7, 0.0029069/step, 1.2406 hours remaining, 210.976562 MB of memory in use. ENERGY: 3463600 740.6219 2118.8436 1933.2514 109.1973 -206486.7625 18012.5810 0.0000 0.0000 34422.8496 -149149.4177 300.6233 -183572.2673 -149050.4018 299.4617 101.4581 134.4878 556766.4140 12.2949 12.0187 PRESSURE: 3463800 -134.137 -55.4421 86.2602 -55.4414 110.754 -205.904 86.2622 -205.903 78.676 GPRESSURE: 3463800 -114.947 -25.6354 167.46 -135.116 128.84 -154.411 28.7888 -201.893 139.875 PRESSAVG: 3463800 -54.6278 13.455 36.9551 13.455 42.3974 -9.11052 36.9551 -9.11055 -10.1786 GPRESSAVG: 3463800 -54.0174 11.0507 40.4132 14.3979 41.9615 -9.5425 35.8467 -9.41822 -10.1944 TIMING: 3463800 CPU: 10039.2, 0.00291365/step Wall: 10039.2, 0.00291365/step, 1.24332 hours remaining, 210.976562 MB of memory in use. ENERGY: 3463800 769.0071 2056.2976 1922.6618 112.8334 -206376.9025 17990.2248 0.0000 0.0000 34345.5826 -149180.2952 299.9485 -183525.8778 -149084.8098 299.7348 18.4310 51.2563 557035.1234 -7.4697 -7.4168 PRESSURE: 3464000 1.14901 69.5135 -53.2233 69.512 -98.8355 -186.044 -53.2224 -186.045 58.4374 GPRESSURE: 3464000 -12.2437 114.05 -49.4904 110.656 -23.1316 -171.684 -49.2179 -186.726 90.9773 PRESSAVG: 3464000 -35.5043 48.2478 -33.2844 48.2478 41.1538 -5.77183 -33.2844 -5.7718 8.83484 GPRESSAVG: 3464000 -35.2098 49.5867 -34.2746 47.4875 41.0511 -6.05021 -32.4011 -4.01986 8.36274 TIMING: 3464000 CPU: 10039.8, 0.00287449/step Wall: 10039.8, 0.00287449/step, 1.22645 hours remaining, 210.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3464000 743.7293 2124.7328 1978.5775 125.5424 -206216.4908 17837.6963 0.0000 0.0000 34192.5848 -149213.6277 298.6123 -183406.2125 -149118.1602 299.0506 -13.0830 18.5340 558205.3952 4.8281 4.7347 PRESSURE: 3464200 -20.938 -204.751 90.5906 -204.75 123.413 -24.1196 90.5896 -24.1188 238.197 GPRESSURE: 3464200 9.12558 -148.854 154.326 -228.512 135.037 11.1962 0.543842 22.5778 303.366 PRESSAVG: 3464200 -29.3345 16.5652 -6.38859 16.565 71.6742 50.0878 -6.38853 50.0877 -45.294 GPRESSAVG: 3464200 -31.0898 14.1364 -5.89656 17.4263 73.0916 49.3684 -6.46385 48.3919 -44.6571 TIMING: 3464200 CPU: 10040.4, 0.00289921/step Wall: 10040.4, 0.00289921/step, 1.23684 hours remaining, 210.976562 MB of memory in use. ENERGY: 3464200 769.3261 2149.1088 1981.9294 115.7956 -206227.7005 17958.0338 0.0000 0.0000 34294.1870 -148959.3198 299.4997 -183253.5068 -148861.1034 298.7469 113.5576 149.1762 557932.5378 -0.9848 -0.8851 LDB: ============= START OF LOAD BALANCING ============== 10043.8 LDB: ============== END OF LOAD BALANCING =============== 10043.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10043.8 LDB: ============= START OF LOAD BALANCING ============== 10044.1 LDB: Largest compute 4792 load 0.029338 is 24.9% of average load 0.118048 LDB: Average compute 0.001723 is 1.5% of average load 0.118048 LDB: TIME 10044.1 LOAD: AVG 0.118048 MAX 0.180027 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.109 MB LDB: TIME 10044.1 LOAD: AVG 0.118048 MAX 0.180027 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.109 MB LDB: TIME 10044.1 LOAD: AVG 0.118048 MAX 0.180027 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10044.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10044.1 PRESSURE: 3464400 -234.931 15.5044 50.1033 15.5058 0.891728 92.7142 50.1033 92.7136 -90.629 GPRESSURE: 3464400 -155.109 -8.51349 206.871 21.4149 -8.03329 13.5714 0.0250384 122.925 -65.0917 PRESSAVG: 3464400 45.6324 -9.43879 19.6846 -9.43876 25.611 50.1001 19.6844 50.1 -36.4178 GPRESSAVG: 3464400 47.1328 -8.88267 19.4672 -9.38116 24.8487 52.1193 19.0416 48.9846 -36.7982 TIMING: 3464400 CPU: 10041, 0.00294935/step Wall: 10041, 0.00294935/step, 1.25806 hours remaining, 211.949219 MB of memory in use. ENERGY: 3464400 757.3503 2151.5761 1930.1941 111.2429 -205662.7023 17572.9683 0.0000 0.0000 34098.2603 -149041.1103 297.7886 -183139.3706 -148942.7133 300.3723 -108.2228 -76.0779 557662.6015 11.6085 11.7278 PRESSURE: 3464600 -20.908 -33.1708 90.1809 -33.1712 -204.124 -102.193 90.1816 -102.193 -296.77 GPRESSURE: 3464600 9.3557 2.10771 61.1503 -68.5622 -146.309 -201.833 79.869 27.3788 -294.445 PRESSAVG: 3464600 -78.9879 9.76207 -16.4369 9.76206 -35.8352 -32.1961 -16.4369 -32.1959 98.9952 GPRESSAVG: 3464600 -80.2941 11.2527 -17.4345 11.1813 -35.9231 -32.7804 -14.6378 -31.7676 99.7114 TIMING: 3464600 CPU: 10041.6, 0.00291113/step Wall: 10041.6, 0.00291113/step, 1.2416 hours remaining, 211.949219 MB of memory in use. ENERGY: 3464600 793.3284 2096.6788 1980.6406 108.1773 -205848.9182 17565.1693 0.0000 0.0000 34375.2131 -148929.7108 300.2073 -183304.9238 -148832.9249 300.0351 -173.9341 -143.7996 557528.0827 -5.2760 -5.5019 PRESSURE: 3464800 85.2712 -21.5622 218.299 -21.5622 65.6628 129.281 218.298 129.28 -9.68068 GPRESSURE: 3464800 141.361 -62.4248 128.16 -27.2748 71.1093 122.089 281.097 87.0106 29.0416 PRESSAVG: 3464800 -31.3889 1.4835 -7.80247 1.48348 69.528 -17.8681 -7.80245 -17.8681 -1.15023 GPRESSAVG: 3464800 -30.6089 0.339724 -8.65971 0.857375 69.1047 -19.2524 -7.70269 -16.8968 -1.45855 TIMING: 3464800 CPU: 10042.1, 0.00291177/step Wall: 10042.1, 0.00291177/step, 1.24171 hours remaining, 211.949219 MB of memory in use. ENERGY: 3464800 770.3367 2130.2752 1960.8001 103.7826 -206351.3197 17950.9042 0.0000 0.0000 34472.0538 -148963.1671 301.0530 -183435.2209 -148858.4939 300.5821 47.0844 80.5038 556429.6740 12.3296 12.3458 PRESSURE: 3465000 -159.459 59.2806 -13.7075 59.2808 168.346 -112.196 -13.7064 -112.197 -384.279 GPRESSURE: 3465000 -135.351 82.686 -42.4167 97.5322 175.518 -53.9863 -27.4605 -115.204 -315.398 PRESSAVG: 3465000 18.6791 4.03543 28.9497 4.03538 -33.8132 -27.4375 28.9497 -27.4374 -0.486634 GPRESSAVG: 3465000 18.5748 4.16072 28.0235 2.59251 -33.1524 -27.4602 28.812 -30.1864 -0.919397 TIMING: 3465000 CPU: 10042.7, 0.00289467/step Wall: 10042.7, 0.00289468/step, 1.23426 hours remaining, 211.949219 MB of memory in use. ENERGY: 3465000 751.8725 2076.8272 1926.4671 111.6353 -205781.1025 17502.5717 0.0000 0.0000 34407.3709 -149004.3579 300.4881 -183411.7288 -148907.4128 299.8943 -125.1306 -91.7437 556983.9648 -5.2069 -5.1656 PRESSURE: 3465200 13.0353 -32.5281 32.4674 -32.5291 93.7059 26.3903 32.4663 26.3912 10.4985 GPRESSURE: 3465200 48.4204 22.5404 51.3011 -2.15057 69.1845 -11.0343 74.9085 28.3961 88.2922 PRESSAVG: 3465200 13.3395 53.8779 5.58039 53.878 -48.1422 -88.3709 5.58042 -88.371 -0.671423 GPRESSAVG: 3465200 13.5008 54.7795 7.77808 53.505 -48.7655 -87.4974 5.48612 -87.6706 -0.393273 TIMING: 3465200 CPU: 10043.3, 0.00291552/step Wall: 10043.3, 0.00291552/step, 1.24298 hours remaining, 211.949219 MB of memory in use. ENERGY: 3465200 761.0347 2068.5695 1961.4814 99.5213 -206167.7055 17865.5655 0.0000 0.0000 34156.8982 -149254.6349 298.3007 -183411.5331 -149144.2902 299.8927 39.0799 68.6324 557891.0206 -11.8247 -11.8860 PRESSURE: 3465400 65.641 -91.1071 92.8724 -91.1072 -113.905 34.826 92.872 34.8259 7.00073 GPRESSURE: 3465400 101.933 -100.566 88.5122 -74.1842 -76.11 72.438 100.688 145.786 32.0089 PRESSAVG: 3465400 12.3152 -7.36235 22.5751 -7.36241 -21.8501 26.2319 22.5752 26.2319 16.4471 GPRESSAVG: 3465400 13.0474 -8.74803 21.2971 -4.88649 -21.6599 26.3713 23.2877 27.1165 15.0348 TIMING: 3465400 CPU: 10043.9, 0.00288283/step Wall: 10043.9, 0.00288283/step, 1.22889 hours remaining, 211.949219 MB of memory in use. ENERGY: 3465400 734.0942 2054.9305 1915.5312 119.6119 -206297.2046 17794.0313 0.0000 0.0000 34211.7227 -149467.2828 298.7795 -183679.0055 -149366.8236 299.2174 -13.7546 19.2773 558026.2230 2.3041 2.1407 PRESSURE: 3465600 -60.8768 -8.08843 -82.0249 -8.08816 -32.7115 99.8449 -82.0249 99.8439 33.1734 GPRESSURE: 3465600 3.57471 -59.2237 -79.2923 36.7288 -8.29429 12.7907 -100.564 162.793 45.515 PRESSAVG: 3465600 0.995433 23.5936 62.0288 23.5936 -29.422 -58.9996 62.0288 -58.9996 75.4227 GPRESSAVG: 3465600 0.0260814 23.4117 62.1405 23.2168 -29.0712 -59.4966 61.7499 -59.2956 75.7312 TIMING: 3465600 CPU: 10044.5, 0.00291729/step Wall: 10044.5, 0.00291729/step, 1.24342 hours remaining, 211.949219 MB of memory in use. ENERGY: 3465600 742.3484 2087.6733 1957.9039 105.8187 -206411.6334 17770.1705 0.0000 0.0000 34268.8531 -149478.8654 299.2784 -183747.7186 -149376.9227 298.6155 -20.1383 13.5985 557479.8467 15.6654 15.5620 PRESSURE: 3465800 -28.8775 -68.285 -15.0377 -68.2846 -158.83 197.897 -15.0373 197.898 58.5146 GPRESSURE: 3465800 55.9524 -123.497 20.6519 -19.7344 -203.301 56.2864 -3.46674 234.437 127.404 PRESSAVG: 3465800 -71.3228 -16.2514 24.7029 -16.2514 20.2566 -49.1383 24.7029 -49.1383 42.1143 GPRESSAVG: 3465800 -70.5556 -13.5575 23.9851 -17.4515 18.5708 -47.9296 25.5578 -49.9677 43.4623 TIMING: 3465800 CPU: 10045, 0.00289776/step Wall: 10045, 0.00289776/step, 1.23493 hours remaining, 211.949219 MB of memory in use. ENERGY: 3465800 745.7480 2077.3705 1915.3200 114.8031 -206186.8928 17810.7162 0.0000 0.0000 34157.5129 -149365.4220 298.3061 -183522.9349 -149273.1983 298.8722 -43.0642 -6.6484 557942.9970 -2.9840 -2.8408 PRESSURE: 3466000 -83.4482 22.0864 -51.8096 22.0858 189.369 42.2649 -51.8102 42.2647 61.6876 GPRESSURE: 3466000 -3.91589 18.2721 -116.902 55.909 177.501 82.4651 -54.1097 89.6741 85.901 PRESSAVG: 3466000 24.6675 -46.3152 -10.3675 -46.3152 -55.3326 20.8659 -10.3675 20.8659 31.9163 GPRESSAVG: 3466000 24.1457 -49.9404 -8.75883 -45.4078 -54.6431 22.3239 -10.6376 20.7374 31.669 TIMING: 3466000 CPU: 10045.6, 0.00290946/step Wall: 10045.6, 0.00290946/step, 1.23975 hours remaining, 211.949219 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: 3466000 729.6019 2065.5530 1969.0847 102.9758 -206555.2188 17995.9682 0.0000 0.0000 34239.8355 -149452.1997 299.0250 -183692.0352 -149356.1802 298.2791 55.8696 86.4952 556615.9230 0.4171 0.3905 PRESSURE: 3466200 102.981 74.9834 -13.7129 74.9827 -11.5766 -49.0551 -13.712 -49.0557 -36.1025 GPRESSURE: 3466200 101.99 97.5181 -29.8164 140.136 54.7751 -72.3891 -64.9281 13.4703 -7.29005 PRESSAVG: 3466200 20.3642 -11.5639 -53.7524 -11.5639 -74.4998 -2.75161 -53.7524 -2.7516 36.8016 GPRESSAVG: 3466200 19.8585 -8.70781 -53.3187 -13.2902 -73.808 -4.62841 -54.4861 -1.16496 36.1772 TIMING: 3466200 CPU: 10046.2, 0.00290961/step Wall: 10046.2, 0.00290961/step, 1.23965 hours remaining, 211.949219 MB of memory in use. ENERGY: 3466200 748.2463 2154.5887 1937.2532 114.1394 -206273.9832 17804.4030 0.0000 0.0000 34101.6050 -149413.7476 297.8178 -183515.3526 -149324.9651 298.6918 18.4339 49.8252 556388.3751 -5.7780 -5.9241 PRESSURE: 3466400 -115.399 105.163 -213.368 105.162 -192.678 136.575 -213.37 136.574 205.627 GPRESSURE: 3466400 -87.7325 66.8985 -146.36 100.309 -162.801 115.654 -186.092 123.202 249.692 PRESSAVG: 3466400 -31.8543 43.1297 -47.0709 43.1298 21.1244 -13.0694 -47.0709 -13.0695 79.4665 GPRESSAVG: 3466400 -30.8151 44.7737 -46.4008 43.0849 20.1539 -12.9957 -49.2796 -12.2867 79.5601 TIMING: 3466400 CPU: 10046.8, 0.00289469/step Wall: 10046.8, 0.00289469/step, 1.23314 hours remaining, 211.949219 MB of memory in use. ENERGY: 3466400 738.2700 2102.5790 1998.9332 115.3325 -206410.1117 17951.8736 0.0000 0.0000 34014.5342 -149488.5892 297.0574 -183503.1234 -149391.9183 298.3299 -34.1498 -0.2803 558719.8954 22.9122 22.9663 PRESSURE: 3466600 25.91 51.6372 -279.16 51.6378 23.4399 50.3882 -279.16 50.3877 164.178 GPRESSURE: 3466600 53.1219 36.9532 -264.468 49.1612 36.6616 55.2634 -242.022 -39.7644 232.77 PRESSAVG: 3466600 -26.6978 17.1485 -38.6553 17.1486 -15.2145 -42.523 -38.6552 -42.5231 3.51456 GPRESSAVG: 3466600 -27.249 15.8021 -38.4494 16.8446 -14.8562 -44.5224 -37.0975 -41.5966 3.83501 TIMING: 3466600 CPU: 10047.4, 0.00289878/step Wall: 10047.4, 0.00289878/step, 1.23472 hours remaining, 211.949219 MB of memory in use. ENERGY: 3466600 756.0141 2143.3357 1945.8923 122.3715 -206814.1055 18109.8632 0.0000 0.0000 33963.5694 -149773.0592 296.6123 -183736.6286 -149683.2936 297.8264 71.1761 107.5179 556224.1031 -12.7993 -12.7567 PRESSURE: 3466800 86.9434 -157.413 -24.0804 -157.412 -23.4811 12.7706 -24.0813 12.771 -186.11 GPRESSURE: 3466800 70.4438 -64.986 -21.1234 -185.493 33.8969 12.2722 -78.1554 32.3594 -123.699 PRESSAVG: 3466800 19.6871 22.5517 -18.774 22.5518 24.6249 7.22519 -18.774 7.22508 21.9182 GPRESSAVG: 3466800 19.0854 21.0964 -20.5572 23.8073 25.0067 7.41243 -16.9973 6.90626 22.0167 TIMING: 3466800 CPU: 10048, 0.00290994/step Wall: 10048, 0.00290994/step, 1.23931 hours remaining, 211.949219 MB of memory in use. ENERGY: 3466800 706.1837 2117.3648 1937.8549 112.0146 -206386.1326 17725.9201 0.0000 0.0000 34070.9679 -149715.8265 297.5502 -183786.7944 -149616.4747 297.9367 -40.8825 -6.4527 556892.5170 22.0767 22.0363 PRESSURE: 3467000 56.6937 -5.27198 72.028 -5.27112 -207.286 4.16049 72.0273 4.16075 -105.818 GPRESSURE: 3467000 65.3807 28.7665 7.22616 -25.3609 -136.67 19.7538 35.4265 -10.0602 -87.6605 PRESSAVG: 3467000 -71.8709 -77.1099 -36.8035 -77.1098 -0.445276 -0.390839 -36.8035 -0.390953 4.50631 GPRESSAVG: 3467000 -71.3829 -76.7714 -36.2288 -77.2775 0.229804 0.544854 -38.1194 -0.469089 3.45917 TIMING: 3467000 CPU: 10048.5, 0.00290911/step Wall: 10048.5, 0.00290911/step, 1.2388 hours remaining, 211.949219 MB of memory in use. ENERGY: 3467000 753.7224 2148.0353 1958.6650 111.9664 -206408.2242 17799.6072 0.0000 0.0000 33903.1435 -149733.0846 296.0846 -183636.2280 -149644.6753 297.5770 -85.4701 -52.9833 557261.7614 -22.6033 -22.5646 PRESSURE: 3467200 57.6603 -60.3983 19.1946 -60.3984 134.755 33.608 19.1947 33.6075 93.262 GPRESSURE: 3467200 113.786 -83.7684 -38.0377 -170.114 151.968 38.6237 85.0252 -0.372241 121.98 PRESSAVG: 3467200 -35.136 -52.8561 75.9458 -52.8562 50.3158 10.5103 75.9459 10.5103 42.7904 GPRESSAVG: 3467200 -34.6134 -54.4717 72.1263 -51.7144 49.4779 10.5765 78.9111 9.66357 43.363 TIMING: 3467200 CPU: 10049.1, 0.00288392/step Wall: 10049.1, 0.00288392/step, 1.22791 hours remaining, 211.949219 MB of memory in use. ENERGY: 3467200 755.6412 2037.1554 1976.5787 116.9207 -206545.4718 18215.4831 0.0000 0.0000 33935.1458 -149508.5469 296.3641 -183443.6927 -149422.9979 297.8581 95.2256 129.2444 556944.3422 19.3234 19.4091 PRESSURE: 3467400 -139.778 175.924 101.369 175.924 10.8947 23.4368 101.367 23.4356 -52.0082 GPRESSURE: 3467400 -108.826 128.352 108.11 243.56 21.2243 49.488 69.7677 -27.2899 1.91946 PRESSAVG: 3467400 -45.2867 82.9822 34.8599 82.9821 21.3455 -9.27617 34.8598 -9.27614 -6.8978 GPRESSAVG: 3467400 -44.2369 83.6616 36.949 80.6757 21.6208 -9.39182 33.9677 -10.2445 -7.99459 TIMING: 3467400 CPU: 10049.7, 0.00290299/step Wall: 10049.7, 0.00290299/step, 1.23587 hours remaining, 211.949219 MB of memory in use. ENERGY: 3467400 746.2749 2071.2197 1958.1774 101.1227 -206586.2001 17785.2237 0.0000 0.0000 34378.4101 -149545.7716 300.2352 -183924.1817 -149448.8514 298.2562 -60.2971 -28.5607 556888.8068 -10.2797 -10.2036 PRESSURE: 3467600 -40.733 41.9993 -77.1511 41.9985 -106.374 62.3679 -77.1515 62.3687 -302.855 GPRESSURE: 3467600 -87.3351 -1.30069 -133.082 76.2865 -51.1189 13.375 -30.5873 26.1087 -215.318 PRESSAVG: 3467600 -47.7433 37.1068 -17.217 37.1069 38.1947 16.725 -17.217 16.725 2.43135 GPRESSAVG: 3467600 -47.7338 37.6461 -18.2172 38.5035 36.7625 17.2256 -17.2406 15.6233 3.12796 TIMING: 3467600 CPU: 10050.3, 0.00288607/step Wall: 10050.3, 0.00288607/step, 1.2285 hours remaining, 211.949219 MB of memory in use. ENERGY: 3467600 751.5726 2078.8622 1965.1848 120.3463 -206600.0156 17647.1303 0.0000 0.0000 34484.1812 -149552.7383 301.1589 -184036.9195 -149452.3655 298.8674 -149.9873 -117.9240 556147.4413 -2.3724 -2.6145 PRESSURE: 3467800 -187.177 -114.463 -87.5288 -114.464 61.3978 16.7736 -87.5291 16.7746 -80.8751 GPRESSURE: 3467800 -147.196 -117.986 -55.3195 -64.6971 65.8432 18.1482 -113.474 28.9707 -26.4236 PRESSAVG: 3467800 -35.4026 33.7123 -51.0075 33.7123 10.9547 -23.6127 -51.0076 -23.6127 43.3539 GPRESSAVG: 3467800 -37.3838 33.1466 -50.8346 33.1371 12.0444 -23.2465 -51.8319 -22.7201 44.1153 TIMING: 3467800 CPU: 10050.8, 0.00287792/step Wall: 10050.8, 0.00287792/step, 1.22488 hours remaining, 211.949219 MB of memory in use. ENERGY: 3467800 763.1771 2081.2506 1969.5820 112.0009 -205936.1869 17575.4662 0.0000 0.0000 33929.6355 -149505.0745 296.3159 -183434.7101 -149417.1963 299.0795 -68.8847 -35.9255 555927.8146 6.3020 6.2586 PRESSURE: 3468000 -276.617 -0.294275 223.941 -0.293155 -33.2408 53.5599 223.942 53.562 -47.2016 GPRESSURE: 3468000 -204.919 90.836 262.125 -59.4656 -36.6487 51.1013 83.7118 108.33 1.86331 PRESSAVG: 3468000 -53.598 42.0965 33.0572 42.0965 -2.02935 1.60427 33.0572 1.6043 61.6336 GPRESSAVG: 3468000 -52.186 42.3585 34.6894 40.727 -3.14885 -0.423258 32.9215 2.91774 61.3125 TIMING: 3468000 CPU: 10051.4, 0.0028898/step Wall: 10051.4, 0.0028898/step, 1.22977 hours remaining, 211.949219 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: 3468000 767.6646 2067.2375 1987.9468 111.5209 -206270.7959 17736.0209 0.0000 0.0000 34085.6182 -149514.7870 297.6782 -183600.4052 -149418.6649 297.8125 -119.0198 -79.9015 558047.6698 2.0021 1.9926 PRESSURE: 3468200 339.686 -42.1979 105.092 -42.199 154 72.4626 105.093 72.4621 111.05 GPRESSURE: 3468200 424.041 -58.9959 197.062 25.2259 164.176 36.5408 17.3577 85.3135 121.248 PRESSAVG: 3468200 9.74721 43.5586 55.5979 43.5585 19.8107 -3.88825 55.598 -3.88835 16.3595 GPRESSAVG: 3468200 9.19506 43.0173 55.5167 45.2358 20.091 -3.21942 55.2378 -2.97429 16.1909 TIMING: 3468200 CPU: 10052, 0.00290205/step Wall: 10052, 0.00290205/step, 1.23482 hours remaining, 211.949219 MB of memory in use. ENERGY: 3468200 725.4394 2049.3793 1913.4272 90.7135 -206751.1827 18174.6975 0.0000 0.0000 34232.5186 -149565.0071 298.9611 -183797.5258 -149474.1030 298.9645 201.5787 236.4881 558132.8008 15.3058 15.1590 LDB: ============= START OF LOAD BALANCING ============== 10055.4 LDB: ============== END OF LOAD BALANCING =============== 10055.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10055.4 LDB: ============= START OF LOAD BALANCING ============== 10055.7 LDB: Largest compute 4792 load 0.029739 is 25.2% of average load 0.117999 LDB: Average compute 0.001721 is 1.5% of average load 0.117999 LDB: TIME 10055.7 LOAD: AVG 0.117999 MAX 0.177787 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.055 MB LDB: TIME 10055.7 LOAD: AVG 0.117999 MAX 0.177787 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.254 MB LDB: TIME 10055.7 LOAD: AVG 0.117999 MAX 0.177787 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.254 MB LDB: ============== END OF LOAD BALANCING =============== 10055.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10055.7 PRESSURE: 3468400 -12.1533 -63.7618 -128.021 -63.7617 -137.376 -132.871 -128.022 -132.872 15.6666 GPRESSURE: 3468400 44.6503 -59.0324 -95.6601 7.92648 -119.408 -125.305 -121.655 -152.329 39.6561 PRESSAVG: 3468400 0.286007 -6.40079 24.9878 -6.40077 -8.21572 -55.9663 24.9878 -55.9663 24.5543 GPRESSAVG: 3468400 0.498523 -3.84303 23.5191 -7.00627 -8.43187 -55.1843 25.7302 -57.0397 25.296 TIMING: 3468400 CPU: 10052.6, 0.00294583/step Wall: 10052.6, 0.00294583/step, 1.25329 hours remaining, 209.839844 MB of memory in use. ENERGY: 3468400 760.4034 2051.5425 1969.6562 113.3275 -206420.5530 17928.6768 0.0000 0.0000 33938.0437 -149658.9029 296.3894 -183596.9467 -149559.0919 298.0920 -44.6210 -11.7005 557361.9498 5.5415 5.7875 PRESSURE: 3468600 147.434 76.4079 27.5259 76.4074 1.25934 116.59 27.528 116.591 -257.753 GPRESSURE: 3468600 172.612 61.9916 -20.9722 74.7073 6.84343 57.4683 56.8308 22.9397 -180.793 PRESSAVG: 3468600 40.9872 40.003 -36.0728 40.003 -25.7135 -9.23498 -36.0728 -9.23489 4.45708 GPRESSAVG: 3468600 42.7759 36.5556 -33.8818 39.7994 -25.9387 -7.39008 -37.2889 -12.5854 3.64902 TIMING: 3468600 CPU: 10053.2, 0.00290646/step Wall: 10053.2, 0.00290646/step, 1.23637 hours remaining, 209.839844 MB of memory in use. ENERGY: 3468600 730.4495 2140.6870 1978.8328 118.5612 -206488.2178 17754.7908 0.0000 0.0000 34224.6388 -149540.2576 298.8923 -183764.8964 -149441.0941 298.4424 -36.3533 -0.4458 557041.5292 6.5769 6.8288 PRESSURE: 3468800 -160.744 24.4672 25.5794 24.4677 -148.033 7.882 25.5794 7.88273 -117.637 GPRESSURE: 3468800 -115.088 57.5513 -31.8624 8.27815 -110.979 0.620158 38.0796 -49.9238 -102.537 PRESSAVG: 3468800 76.7165 21.7353 4.82836 21.7352 -35.8812 27.7565 4.82835 27.7565 -59.801 GPRESSAVG: 3468800 76.3307 22.4453 4.89338 23.0491 -33.8512 26.16 4.41463 31.1581 -62.0696 TIMING: 3468800 CPU: 10053.8, 0.0029084/step Wall: 10053.8, 0.0029084/step, 1.23704 hours remaining, 209.839844 MB of memory in use. ENERGY: 3468800 735.9609 2022.2402 1957.1348 118.8681 -206014.3549 17533.2507 0.0000 0.0000 34181.5561 -149465.3441 298.5160 -183646.9001 -149376.3628 298.7701 -142.1383 -109.5348 557007.8924 -6.3219 -6.5300 PRESSURE: 3469000 12.2516 -6.94611 -103.945 -6.94746 -132.243 -60.1582 -103.944 -60.1576 -51.8875 GPRESSURE: 3469000 99.3886 -19.3575 -109.261 21.8044 -176.806 -76.7389 -68.0328 -42.9295 8.55904 PRESSAVG: 3469000 72.0081 -18.4095 10.5273 -18.4096 -65.7736 5.14127 10.5273 5.14125 17.4874 GPRESSAVG: 3469000 70.9537 -18.16 10.0664 -17.8127 -67.6478 6.16857 12.7989 5.89186 20.3174 TIMING: 3469000 CPU: 10054.3, 0.00290093/step Wall: 10054.3, 0.00290093/step, 1.2337 hours remaining, 209.839844 MB of memory in use. ENERGY: 3469000 761.4180 2048.0076 1942.1103 93.7270 -206084.4834 17678.9083 0.0000 0.0000 34155.0694 -149405.2427 298.2847 -183560.3121 -149305.4978 298.9603 -57.2929 -22.9527 556505.0352 7.9073 7.8744 PRESSURE: 3469200 -154.841 85.8624 -74.0777 85.8616 101.634 104.071 -74.0791 104.071 -103.488 GPRESSURE: 3469200 -166.889 97.6491 -149.031 104.313 164.409 190.743 -29.3584 68.1471 -69.1538 PRESSAVG: 3469200 73.4077 31.6686 -20.393 31.6686 8.19768 -10.3859 -20.3929 -10.386 -55.5803 GPRESSAVG: 3469200 73.5102 33.7797 -21.4 28.9741 9.73148 -12.2011 -19.6851 -12.3038 -56.5215 TIMING: 3469200 CPU: 10054.9, 0.00290095/step Wall: 10054.9, 0.00290095/step, 1.23355 hours remaining, 209.839844 MB of memory in use. ENERGY: 3469200 728.9433 2134.0051 1938.5068 106.6750 -206441.7087 17654.9201 0.0000 0.0000 34405.8373 -149472.8212 300.4747 -183878.6585 -149375.5336 297.8183 -52.2317 -23.8779 555954.8973 8.6750 8.9067 PRESSURE: 3469400 30.486 43.6745 -5.47006 43.6736 161.183 -16.0824 -5.47048 -16.0828 7.04567 GPRESSURE: 3469400 14.6739 32.855 5.57555 27.0566 179.675 52.0734 -69.0692 -29.812 103.869 PRESSAVG: 3469400 36.3044 -0.0467426 -41.804 -0.0467196 17.8688 -19.7233 -41.8041 -19.7233 -93.688 GPRESSAVG: 3469400 36.1102 -4.2768 -40.8569 4.55807 17.8007 -20.5113 -44.8724 -19.6521 -93.6359 TIMING: 3469400 CPU: 10055.5, 0.00289998/step Wall: 10055.5, 0.00289998/step, 1.23298 hours remaining, 209.839844 MB of memory in use. ENERGY: 3469400 718.2054 2116.7086 1930.4783 102.4742 -206379.4109 17841.2406 0.0000 0.0000 34130.1080 -149540.1959 298.0667 -183670.3040 -149441.7217 298.1398 66.2382 99.4059 556434.9169 -13.1716 -13.2417 PRESSURE: 3469600 198.238 -17.746 135.502 -17.7454 -8.1905 -17.5948 135.501 -17.5951 343.986 GPRESSURE: 3469600 194.209 48.2802 67.4687 -36.7743 36.7185 -58.2117 186.107 13.244 397.286 PRESSAVG: 3469600 7.5074 -78.0274 -6.33893 -78.0274 23.9012 -12.7858 -6.33886 -12.7858 -44.9372 GPRESSAVG: 3469600 7.50844 -75.4654 -5.16571 -80.6366 23.8615 -11.4963 -4.45149 -11.1595 -45.0329 TIMING: 3469600 CPU: 10056.1, 0.00290556/step Wall: 10056.1, 0.00290556/step, 1.23518 hours remaining, 209.839844 MB of memory in use. ENERGY: 3469600 700.0754 2122.1898 1963.7030 120.0379 -206464.4230 17868.7530 0.0000 0.0000 34154.5989 -149535.0650 298.2806 -183689.6639 -149433.0066 298.2873 178.0110 209.4046 554738.9249 -4.5095 -4.5543 PRESSURE: 3469800 167.864 73.5935 122.351 73.5945 -186.685 -198.114 122.352 -198.114 -70.8165 GPRESSURE: 3469800 209.724 60.831 119.832 17.6345 -153.318 -154.638 107.131 -216.335 -46.2455 PRESSAVG: 3469800 -8.53182 -2.97122 -14.6173 -2.97127 6.12704 -7.59498 -14.6173 -7.59503 -16.6527 GPRESSAVG: 3469800 -9.39266 -3.11529 -17.0246 -3.09379 7.23646 -8.21706 -14.302 -10.0847 -17.1236 TIMING: 3469800 CPU: 10056.7, 0.00290701/step Wall: 10056.7, 0.00290701/step, 1.23564 hours remaining, 209.839844 MB of memory in use. ENERGY: 3469800 746.0800 2093.6895 1926.7370 109.0831 -206121.5406 17670.8672 0.0000 0.0000 34196.4253 -149378.6584 298.6459 -183575.0838 -149280.8411 298.5777 -29.8789 3.3871 556516.2882 -6.3525 -6.4266 PRESSURE: 3470000 19.911 -17.367 -3.21756 -17.3681 -56.6169 41.2946 -3.21616 41.293 -34.1722 GPRESSURE: 3470000 50.1134 43.8613 24.3097 6.88354 -51.4534 87.5236 33.0715 54.0992 31.5879 PRESSAVG: 3470000 -43.7835 4.43161 -18.8154 4.43169 60.7642 -4.2088 -18.8154 -4.20885 7.07374 GPRESSAVG: 3470000 -43.8979 4.82649 -17.5881 3.20295 58.7034 -2.70219 -18.8777 -1.53854 8.68283 TIMING: 3470000 CPU: 10057.2, 0.00290517/step Wall: 10057.2, 0.00290517/step, 1.2347 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3470000 754.4078 2070.1972 1933.5260 98.1662 -206250.0630 17787.9702 0.0000 0.0000 34365.9581 -149239.8376 300.1265 -183605.7956 -149144.6100 299.2029 -23.6261 10.0826 556333.2385 8.0181 7.8294 PRESSURE: 3470200 -7.81262 129.789 -102.94 129.788 190.072 8.12708 -102.942 8.12698 69.4745 GPRESSURE: 3470200 35.7639 71.4433 -114.147 112.589 236.118 20.4777 -105.981 16.3598 73.1358 PRESSAVG: 3470200 86.312 -37.9062 -31.528 -37.9061 -72.5044 25.8166 -31.528 25.8166 26.3214 GPRESSAVG: 3470200 86.4406 -35.7532 -32.273 -37.5315 -71.9207 25.8292 -33.3421 23.6953 25.3725 TIMING: 3470200 CPU: 10057.8, 0.00290299/step Wall: 10057.8, 0.00290299/step, 1.23361 hours remaining, 209.839844 MB of memory in use. ENERGY: 3470200 749.9903 2119.8487 1956.3445 99.4112 -206242.9937 17802.1331 0.0000 0.0000 34474.0933 -149041.1726 301.0708 -183515.2659 -148946.2192 300.0610 83.9111 115.0059 557155.9951 13.3763 13.2975 PRESSURE: 3470400 183.725 122.454 -52.6432 122.454 32.9697 118.071 -52.6434 118.072 -289.658 GPRESSURE: 3470400 215.7 124.649 -48.0529 76.2187 82.4353 61.3075 -58.0953 142.242 -278.376 PRESSAVG: 3470400 29.2851 21.913 -30.0427 21.913 3.84186 5.95771 -30.0427 5.95774 -55.1999 GPRESSAVG: 3470400 28.6455 20.7034 -30.904 21.6831 3.55186 4.40517 -27.5197 6.58534 -54.2721 TIMING: 3470400 CPU: 10058.4, 0.00291483/step Wall: 10058.4, 0.00291483/step, 1.23848 hours remaining, 209.839844 MB of memory in use. ENERGY: 3470400 730.4741 2077.5626 1953.6228 113.7244 -206076.9861 17676.9338 0.0000 0.0000 34239.8745 -149284.7938 299.0253 -183524.6684 -149183.1711 299.4427 -24.3212 6.5864 556267.7319 -7.3576 -7.3583 PRESSURE: 3470600 -85.3401 70.9275 21.9175 70.9277 119.791 86.3688 21.9182 86.3687 -143.087 GPRESSURE: 3470600 9.71278 104.775 -99.8082 73.8429 100.512 -4.78321 117.16 98.3374 -120.784 PRESSAVG: 3470600 30.1101 35.8422 -34.2815 35.8423 13.7038 -18.3862 -34.2814 -18.3861 -8.30731 GPRESSAVG: 3470600 32.1028 35.5166 -32.7855 37.5415 13.0447 -17.5504 -35.7416 -18.4961 -9.90481 TIMING: 3470600 CPU: 10059, 0.00290051/step Wall: 10059, 0.00290051/step, 1.23223 hours remaining, 209.839844 MB of memory in use. ENERGY: 3470600 749.0610 2045.8013 1967.3204 116.1845 -206313.3049 18001.0672 0.0000 0.0000 34205.4184 -149228.4521 298.7244 -183433.8705 -149130.1127 299.8147 -36.2119 -3.5197 558577.4950 11.8355 11.7476 PRESSURE: 3470800 -8.62395 -149.846 143.072 -149.846 -232.856 67.794 143.073 67.7948 -108.65 GPRESSURE: 3470800 -41.8343 -194.497 91.5136 -150.741 -146.802 64.0886 120.522 37.1761 -62.7968 PRESSAVG: 3470800 16.3676 5.45004 15.3186 5.45005 -30.9457 -8.62965 15.3186 -8.6297 13.0092 GPRESSAVG: 3470800 14.833 4.89062 12.9018 6.11508 -30.3129 -9.2894 15.1023 -7.14326 13.9942 TIMING: 3470800 CPU: 10059.6, 0.00289014/step Wall: 10059.6, 0.00289015/step, 1.22767 hours remaining, 209.839844 MB of memory in use. ENERGY: 3470800 716.0699 2075.3122 1935.0779 102.1967 -205893.1765 17610.1332 0.0000 0.0000 34341.8779 -149112.5087 299.9162 -183454.3867 -149014.3361 299.5029 -116.7099 -83.8110 558342.4525 -0.5230 -0.4952 PRESSURE: 3471000 -59.6932 -140.142 20.4221 -140.144 -227.806 23.7634 20.4216 23.7634 37.8445 GPRESSURE: 3471000 -34.5135 -131.465 -22.4068 -189.555 -208.18 23.723 46.2853 -65.6664 78.4348 PRESSAVG: 3471000 0.785481 -19.953 44.357 -19.9531 20.1464 68.7028 44.357 68.7029 9.45849 GPRESSAVG: 3471000 1.56099 -20.3378 47.9794 -20.5068 20.3904 70.8913 43.881 67.5712 8.67721 TIMING: 3471000 CPU: 10060.1, 0.00288109/step Wall: 10060.1, 0.00288109/step, 1.22366 hours remaining, 209.839844 MB of memory in use. ENERGY: 3471000 754.5228 2078.4459 1944.8567 122.8795 -205801.0739 17679.3508 0.0000 0.0000 34149.4050 -149071.6133 298.2352 -183221.0183 -148978.0259 299.8990 -83.2183 -54.7531 558034.7940 10.1301 10.2095 PRESSURE: 3471200 82.7444 -130.843 138.376 -130.843 -69.8146 -72.9984 138.376 -72.9981 -13.5444 GPRESSURE: 3471200 75.0577 -112.697 107.755 -112.218 -14.1545 8.08459 93.3299 -181.983 31.9979 PRESSAVG: 3471200 40.4375 21.7635 27.8723 21.7635 -27.8046 60.7945 27.8723 60.7945 -12.7566 GPRESSAVG: 3471200 39.4453 24.3727 26.432 20.326 -28.7584 58.4983 28.9355 60.9049 -11.1389 TIMING: 3471200 CPU: 10060.7, 0.00291187/step Wall: 10060.7, 0.00291187/step, 1.23657 hours remaining, 209.839844 MB of memory in use. ENERGY: 3471200 718.1849 2093.0884 1915.9313 120.2856 -205907.6924 17744.5024 0.0000 0.0000 34223.3463 -149092.3534 298.8810 -183315.6998 -148997.6535 299.3760 -0.2049 30.9670 556246.5377 -0.0413 -0.1507 PRESSURE: 3471400 139.912 -53.7133 1.85352 -53.7146 -16.9837 -94.6598 1.85247 -94.6602 -196.149 GPRESSURE: 3471400 130.809 -60.7129 17.823 -21.8245 32.6675 -97.1201 12.7103 -14.5138 -144.98 PRESSAVG: 3471400 47.7068 31.711 -20.2972 31.711 -14.3873 -42.9993 -20.2972 -42.9993 -15.2646 GPRESSAVG: 3471400 47.4991 29.3244 -19.4429 32.8963 -14.3113 -42.4891 -20.9487 -40.8225 -15.3188 TIMING: 3471400 CPU: 10061.3, 0.00290357/step Wall: 10061.3, 0.00290357/step, 1.23289 hours remaining, 209.839844 MB of memory in use. ENERGY: 3471400 699.7074 2065.0516 1903.2199 107.6197 -205859.0045 17663.7777 0.0000 0.0000 34349.9015 -149069.7267 299.9862 -183419.6282 -148968.7693 299.3717 -24.4067 6.1654 558227.4331 6.0183 5.9563 PRESSURE: 3471600 -338.838 -90.7989 55.0599 -90.7992 -270.492 -6.1743 55.0604 -6.17402 -16.6774 GPRESSURE: 3471600 -344.617 -51.3223 -16.8021 42.3472 -170.8 36.3337 108.182 -10.481 -12.7271 PRESSAVG: 3471600 16.5549 7.05604 24.6107 7.05596 40.9708 13.5375 24.6106 13.5374 -27.7607 GPRESSAVG: 3471600 16.4658 7.88657 22.8406 5.14911 40.9157 16.4689 25.1667 10.5885 -27.395 TIMING: 3471600 CPU: 10061.9, 0.00291005/step Wall: 10061.9, 0.00291005/step, 1.23548 hours remaining, 209.839844 MB of memory in use. ENERGY: 3471600 791.3797 2142.3273 1955.2556 119.2664 -205964.0383 17513.1208 0.0000 0.0000 34473.9550 -148968.7336 301.0696 -183442.6886 -148872.3385 299.9509 -208.6693 -176.0479 557591.2918 9.9217 9.9955 PRESSURE: 3471800 37.812 85.9029 -22.1541 85.9036 -396.188 60.7858 -22.1535 60.7855 -206.545 GPRESSURE: 3471800 27.4137 90.0939 -5.5118 71.9661 -339.824 30.7422 -25.0973 87.5886 -145.451 PRESSAVG: 3471800 -16.0756 18.6733 10.2356 18.6732 -39.2995 9.30884 10.2356 9.30883 64.2292 GPRESSAVG: 3471800 -15.1337 18.6105 9.5476 20.0461 -39.1317 4.95642 10.4274 11.7079 63.5518 TIMING: 3471800 CPU: 10062.5, 0.00292941/step Wall: 10062.5, 0.00292941/step, 1.24353 hours remaining, 209.839844 MB of memory in use. ENERGY: 3471800 732.4575 2133.6866 1925.7461 116.9352 -205692.9623 17395.2211 0.0000 0.0000 34418.1491 -148970.7667 300.5823 -183388.9157 -148879.0266 300.4136 -188.3069 -152.6205 557558.3563 2.9514 3.0954 PRESSURE: 3472000 289.467 35.6 -219.153 35.6004 -203.52 7.05691 -219.152 7.05551 225.406 GPRESSURE: 3472000 277.754 44.2557 -231.721 38.7318 -142.937 -90.3344 -171.71 -16.1053 263.761 PRESSAVG: 3472000 58.4541 6.00822 -31.7673 6.00812 -83.1001 -24.2103 -31.7673 -24.2104 12.4466 GPRESSAVG: 3472000 56.8259 4.84484 -29.7078 6.07145 -81.4141 -21.0693 -32.8195 -26.6883 12.291 TIMING: 3472000 CPU: 10063, 0.00288713/step Wall: 10063, 0.00288713/step, 1.22543 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3472000 750.4897 2051.5404 1950.9505 124.4482 -206451.3242 18021.2911 0.0000 0.0000 34543.5769 -149009.0275 301.6776 -183552.6044 -148911.5820 300.2440 103.7842 132.8592 556674.4143 -4.0665 -4.0991 PRESSURE: 3472200 43.6774 -24.1127 48.3649 -24.1128 -435.374 79.3499 48.3645 79.351 -44.7333 GPRESSURE: 3472200 47.5605 13.1409 17.1469 -91.2826 -368.802 84.9484 18.0729 79.2719 -12.5626 PRESSAVG: 3472200 1.7468 -15.8424 -2.60381 -15.8425 -80.2696 -11.5784 -2.60379 -11.5784 80.0156 GPRESSAVG: 3472200 3.43658 -16.1608 -2.61187 -16.1648 -81.9683 -12.9831 -1.98186 -10.927 80.3029 TIMING: 3472200 CPU: 10063.6, 0.00287418/step Wall: 10063.6, 0.00287418/step, 1.21977 hours remaining, 209.839844 MB of memory in use. ENERGY: 3472200 758.5042 2095.3021 1915.3988 112.9006 -206200.3179 17743.7504 0.0000 0.0000 34373.3479 -149201.1138 300.1910 -183574.4617 -149101.6341 299.9222 -145.4766 -111.2680 556375.5944 0.4976 0.5904 LDB: ============= START OF LOAD BALANCING ============== 10067 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10067 LDB: =============== DONE WITH MIGRATION ================ 10067 LDB: ============= START OF LOAD BALANCING ============== 10067.3 LDB: Largest compute 4792 load 0.027798 is 23.6% of average load 0.117940 LDB: Average compute 0.001727 is 1.5% of average load 0.117940 LDB: TIME 10067.3 LOAD: AVG 0.11794 MAX 0.18338 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 10067.3 LOAD: AVG 0.11794 MAX 0.18338 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.066 MB LDB: TIME 10067.3 LOAD: AVG 0.11794 MAX 0.18338 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.066 MB LDB: ============== END OF LOAD BALANCING =============== 10067.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10067.3 PRESSURE: 3472400 -53.0822 -111.843 17.1746 -111.843 -62.8394 -249.119 17.176 -249.118 -95.2474 GPRESSURE: 3472400 -9.6481 -101.944 103.899 -67.8743 -11.4831 -300.14 0.317521 -154.95 -96.5118 PRESSAVG: 3472400 -27.5731 -63.7871 31.3177 -63.7871 2.38905 -26.618 31.3177 -26.6179 32.3984 GPRESSAVG: 3472400 -27.564 -62.8088 32.3244 -64.8414 2.86281 -24.3215 29.0757 -26.2462 31.7958 TIMING: 3472400 CPU: 10064.2, 0.00294771/step Wall: 10064.2, 0.00294771/step, 1.25081 hours remaining, 210.152344 MB of memory in use. ENERGY: 3472400 752.2089 2098.3414 1958.2073 117.5773 -206368.4990 17824.7417 0.0000 0.0000 34437.8453 -149179.5771 300.7543 -183617.4224 -149077.8657 299.7832 -70.3897 -39.2143 556903.2764 2.4048 2.3649 PRESSURE: 3472600 58.2717 19.304 94.304 19.3027 106.577 -98.1183 94.3038 -98.1203 -47.5657 GPRESSURE: 3472600 37.8102 100.828 51.3348 -44.9536 165.712 -105.527 141.1 -102.071 -6.32376 PRESSAVG: 3472600 -3.07207 15.3509 34.7028 15.3508 27.6922 -26.1781 34.7028 -26.1781 -38.2741 GPRESSAVG: 3472600 -2.85383 14.5641 34.6394 15.3774 27.0651 -27.1604 36.1698 -27.4848 -38.3996 TIMING: 3472600 CPU: 10064.8, 0.00289337/step Wall: 10064.8, 0.00289337/step, 1.22759 hours remaining, 210.152344 MB of memory in use. ENERGY: 3472600 719.9776 2087.5222 1935.2707 109.5000 -206256.7210 17907.5752 0.0000 0.0000 34274.4273 -149222.4481 299.3271 -183496.8754 -149124.4419 299.9762 39.0942 65.7328 558444.4770 -4.5513 -4.7294 PRESSURE: 3472800 -39.3808 86.2896 77.8036 86.2891 -134.567 -106.721 77.8034 -106.721 -242.931 GPRESSURE: 3472800 3.24513 52.5377 57.1407 176.42 -61.992 -188.594 9.20949 -128.01 -257.208 PRESSAVG: 3472800 58.2561 -1.68147 53.299 -1.68149 16.8322 -24.7939 53.2991 -24.7939 -82.6284 GPRESSAVG: 3472800 57.5793 -0.806985 51.611 -0.991531 18.182 -25.5802 51.8853 -23.2988 -82.8021 TIMING: 3472800 CPU: 10065.4, 0.00288439/step Wall: 10065.4, 0.00288439/step, 1.22362 hours remaining, 210.152344 MB of memory in use. ENERGY: 3472800 770.4138 2069.0685 1927.9681 116.7276 -206129.5582 17641.3363 0.0000 0.0000 34385.7181 -149218.3257 300.2990 -183604.0438 -149120.6339 298.7102 -138.9594 -105.3184 558830.5935 -2.5133 -2.3469 PRESSURE: 3473000 3.4758 -70.3867 113.108 -70.3866 -183.13 -136.065 113.107 -136.065 -257.134 GPRESSURE: 3473000 -0.922814 -66.828 113.2 -82.9799 -69.6541 -52.9212 167.798 -154.552 -265.047 PRESSAVG: 3473000 17.1941 7.04487 -27.0192 7.0449 -13.3017 20.2982 -27.0193 20.2983 -43.3371 GPRESSAVG: 3473000 16.8539 6.78548 -24.6791 9.52051 -13.9941 18.4055 -26.7568 20.9389 -42.2469 TIMING: 3473000 CPU: 10065.9, 0.00286455/step Wall: 10065.9, 0.00286455/step, 1.21505 hours remaining, 210.152344 MB of memory in use. ENERGY: 3473000 767.2945 2062.7207 1944.2870 132.6627 -205978.1730 17670.1135 0.0000 0.0000 34188.9301 -149212.1646 298.5804 -183401.0946 -149116.9208 299.3899 -145.5960 -111.8745 558892.7958 -13.1482 -13.1290 PRESSURE: 3473200 67.7736 68.944 -13.0981 68.9442 -204.341 92.6139 -13.0982 92.6131 -33.8235 GPRESSURE: 3473200 65.4276 71.8797 32.0722 87.315 -144.244 82.7629 26.1703 96.9982 16.4834 PRESSAVG: 3473200 -0.995514 5.10198 33.1981 5.10191 20.858 4.75138 33.1981 4.75139 -2.32287 GPRESSAVG: 3473200 -0.280605 3.74051 33.2682 5.00872 21.2663 6.34509 33.5003 0.153608 -3.0338 TIMING: 3473200 CPU: 10066.5, 0.00289074/step Wall: 10066.5, 0.00289074/step, 1.22599 hours remaining, 210.152344 MB of memory in use. ENERGY: 3473200 729.4358 2092.2897 1938.4270 107.5904 -205939.2614 17645.5418 0.0000 0.0000 34259.2658 -149166.7109 299.1947 -183425.9767 -149071.5402 298.9147 -56.7970 -20.7777 558122.3835 5.8465 5.9840 PRESSURE: 3473400 87.4977 54.6984 60.4388 54.6977 275.375 -267.648 60.4393 -267.647 74.3783 GPRESSURE: 3473400 158.006 108.429 0.937872 69.7164 274.524 -234.092 112.157 -272.774 94.8886 PRESSAVG: 3473400 -60.5863 18.1192 -17.4601 18.1191 18.5097 -67.1823 -17.46 -67.1824 14.2442 GPRESSAVG: 3473400 -60.1284 18.3459 -20.7919 16.1825 17.91 -67.977 -15.0473 -62.6709 14.2543 TIMING: 3473400 CPU: 10067.1, 0.0028946/step Wall: 10067.1, 0.0028946/step, 1.22747 hours remaining, 210.152344 MB of memory in use. ENERGY: 3473400 756.3605 2042.1511 1951.6639 115.9872 -206252.4952 17916.9312 0.0000 0.0000 34373.4259 -149095.9756 300.1917 -183469.4014 -148998.3235 298.8860 145.7502 175.8062 556252.6298 -9.2775 -9.3214 PRESSURE: 3473600 -16.6033 -24.7913 6.36285 -24.7906 18.8131 74.1069 6.3615 74.1083 -118.18 GPRESSURE: 3473600 -5.4076 50.5569 -40.4188 -63.8449 32.2928 74.7241 110.97 32.91 -39.9852 PRESSAVG: 3473600 30.1526 7.11277 45.3519 7.11283 107.672 21.6379 45.3518 21.6379 -126.564 GPRESSAVG: 3473600 29.9224 9.41288 46.651 7.73294 108.589 21.683 43.9524 19.9647 -126.735 TIMING: 3473600 CPU: 10067.7, 0.00288792/step Wall: 10067.7, 0.00288792/step, 1.22448 hours remaining, 210.152344 MB of memory in use. ENERGY: 3473600 697.5285 2073.9776 1939.2355 117.0993 -206106.3314 17722.3621 0.0000 0.0000 34298.5241 -149257.6044 299.5375 -183556.1285 -149154.0739 299.3209 -38.6567 -4.3667 556379.9290 3.7534 3.9253 PRESSURE: 3473800 -76.9431 -109.209 186.472 -109.21 -110.693 -35.9835 186.472 -35.9833 93.46 GPRESSURE: 3473800 -68.7471 -113.235 80.6551 -13.6652 -72.8962 -115.037 190.268 -11.7887 157.13 PRESSAVG: 3473800 64.0585 -12.1646 48.3228 -12.1646 -11.3393 -23.4346 48.3228 -23.4345 -36.6558 GPRESSAVG: 3473800 64.0007 -13.3906 48.0736 -12.4342 -11.7942 -21.2564 47.0009 -24.2829 -36.0121 TIMING: 3473800 CPU: 10068.3, 0.00289954/step Wall: 10068.3, 0.00289954/step, 1.22924 hours remaining, 210.152344 MB of memory in use. ENERGY: 3473800 745.3376 2086.1063 1943.8333 107.1736 -206285.3179 17615.4206 0.0000 0.0000 34570.3915 -149217.0549 301.9118 -183787.4464 -149121.8530 298.8607 -31.3922 5.1623 556288.7275 5.3545 5.3981 PRESSURE: 3474000 -119.848 -3.30247 -121.911 -3.30282 -137.377 103.201 -121.91 103.2 -78.6691 GPRESSURE: 3474000 -74.265 3.44864 -77.5179 -61.1155 -146.531 126.799 -158.9 150.571 -25.0877 PRESSAVG: 3474000 13.3684 69.9263 26.0898 69.9263 -39.708 72.2542 26.0898 72.2542 12.8391 GPRESSAVG: 3474000 13.6686 70.9508 26.251 69.0193 -40.2083 70.5297 25.8195 74.8724 13.2677 TIMING: 3474000 CPU: 10068.8, 0.00291553/step Wall: 10068.8, 0.00291553/step, 1.23586 hours remaining, 210.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3474000 739.4539 2070.2788 1966.5708 105.7726 -205461.8333 17444.5760 0.0000 0.0000 34120.8499 -149014.3313 297.9859 -183135.1812 -148914.1126 299.7267 -111.9649 -81.9612 559194.9415 -4.5002 -4.4240 PRESSURE: 3474200 -32.5132 -134.276 85.0265 -134.276 -2.20755 89.566 85.0266 89.5662 209.608 GPRESSURE: 3474200 -7.7993 -82.739 90.6237 -135.04 78.2175 124.691 32.5798 75.6941 224.863 PRESSAVG: 3474200 46.2378 -17.4333 12.5936 -17.4332 -19.1393 52.2277 12.5936 52.2276 -9.0414 GPRESSAVG: 3474200 46.4552 -16.9392 12.2274 -17.0494 -18.7303 52.4556 12.9414 51.9408 -9.40304 TIMING: 3474200 CPU: 10069.4, 0.00290206/step Wall: 10069.4, 0.00290206/step, 1.22999 hours remaining, 210.152344 MB of memory in use. ENERGY: 3474200 748.8517 2067.9970 1948.9645 110.5733 -206157.4353 17926.3733 0.0000 0.0000 34300.4894 -149054.1859 299.5547 -183354.6754 -148952.1375 299.2301 58.2956 98.4271 557840.3877 6.0190 6.1073 PRESSURE: 3474400 -0.79083 103.558 -21.003 103.559 145.633 -128.162 -21.0045 -128.162 154.287 GPRESSURE: 3474400 71.1279 98.1731 -25.7238 100.553 185.277 -115.835 -14.5766 -207.528 143.601 PRESSAVG: 3474400 -61.2973 16.9044 -8.14559 16.9044 56.4494 -19.7016 -8.14552 -19.7016 -14.886 GPRESSAVG: 3474400 -61.5363 15.7398 -8.13069 17.5073 57.9609 -20.4863 -6.9139 -20.3475 -16.0983 TIMING: 3474400 CPU: 10070, 0.00291215/step Wall: 10070, 0.00291215/step, 1.2341 hours remaining, 210.152344 MB of memory in use. ENERGY: 3474400 771.7560 2041.3391 1952.1930 115.2145 -205750.7736 17864.6546 0.0000 0.0000 34036.6636 -148968.9529 297.2506 -183005.6165 -148880.3233 299.5761 99.7095 133.3354 557352.6744 -6.5780 -6.5579 PRESSURE: 3474600 -17.8521 -14.0785 -14.7314 -14.0783 156.025 74.2706 -14.7315 74.2718 146.301 GPRESSURE: 3474600 -11.5809 -33.9831 51.1734 -46.4721 152.473 29.7101 -11.5543 46.7305 237.595 PRESSAVG: 3474600 -39.4084 5.04613 -23.0725 5.0462 38.8527 -38.8442 -23.0724 -38.8443 -10.9348 GPRESSAVG: 3474600 -40.384 6.2666 -24.2402 4.82859 38.1854 -38.4625 -23.3553 -39.1056 -9.83783 TIMING: 3474600 CPU: 10070.6, 0.00291581/step Wall: 10070.6, 0.00291581/step, 1.23549 hours remaining, 210.152344 MB of memory in use. ENERGY: 3474600 736.9534 2017.5906 1947.7793 111.8452 -206216.7807 17951.2342 0.0000 0.0000 34352.5167 -149098.8613 300.0091 -183451.3780 -148999.0252 299.5388 94.8249 126.1622 557741.2860 -3.8302 -4.0121 PRESSURE: 3474800 -217.071 -12.8952 -53.4189 -12.8951 -316.162 -80.7049 -53.4189 -80.7056 -314.989 GPRESSURE: 3474800 -199.748 14.4042 -108.328 -68.6517 -263.196 -72.6908 -18.5924 -68.9198 -278.136 PRESSAVG: 3474800 -83.5938 -40.0071 -35.5272 -40.0071 -2.10599 4.24391 -35.5272 4.24389 19.4271 GPRESSAVG: 3474800 -82.9556 -42.1742 -34.1744 -39.5968 -2.55545 4.13262 -36.842 4.96156 19.5827 TIMING: 3474800 CPU: 10071.2, 0.00291563/step Wall: 10071.2, 0.00291563/step, 1.23525 hours remaining, 210.152344 MB of memory in use. ENERGY: 3474800 761.4138 2105.0199 1951.8634 112.9791 -205804.1047 17489.4451 0.0000 0.0000 34290.7128 -149092.6706 299.4693 -183383.3834 -148989.2868 298.9202 -282.7406 -247.0267 559653.8123 -22.0909 -21.9761 PRESSURE: 3475000 -180.69 206.61 125.574 206.611 -13.9746 -11.7616 125.573 -11.7603 85.5592 GPRESSURE: 3475000 -167.662 183.155 -10.2507 174.819 -3.34598 -29.7526 86.0583 -35.4555 156.735 PRESSAVG: 3475000 15.4074 -8.54362 -2.29064 -8.54349 -49.245 -9.89838 -2.29073 -9.89848 36.3808 GPRESSAVG: 3475000 15.3904 -6.47759 -6.56697 -10.6134 -48.5595 -10.5196 -1.51483 -9.12915 36.3778 TIMING: 3475000 CPU: 10071.7, 0.00290825/step Wall: 10071.7, 0.00290825/step, 1.23197 hours remaining, 210.152344 MB of memory in use. ENERGY: 3475000 745.9128 2046.5187 1987.3807 117.2713 -206146.0451 17875.0408 0.0000 0.0000 34315.1270 -149058.7939 299.6825 -183373.9209 -148962.2188 299.7683 -36.3684 -4.7577 559009.9601 0.8477 1.0696 PRESSURE: 3475200 33.8436 -217.691 72.6615 -217.691 175.553 59.2035 72.6612 59.2031 -118.112 GPRESSURE: 3475200 110.449 -272.01 36.8629 -200.839 196.93 107.973 130.979 23.3447 -121.362 PRESSAVG: 3475200 0.254851 11.5107 30.466 11.5107 -3.74357 -17.0532 30.466 -17.0533 -5.84487 GPRESSAVG: 3475200 -0.119216 10.6675 34.4756 12.5928 -3.9647 -15.6988 29.6413 -18.8495 -5.82753 TIMING: 3475200 CPU: 10072.3, 0.00290477/step Wall: 10072.3, 0.00290477/step, 1.23033 hours remaining, 210.152344 MB of memory in use. ENERGY: 3475200 725.0998 2116.4200 1956.9826 107.7776 -206016.7535 17900.7960 0.0000 0.0000 34125.1109 -149084.5665 298.0231 -183209.6774 -148987.6631 299.4389 30.4284 62.0054 558700.3847 -3.1112 -3.3038 PRESSURE: 3475400 -6.17604 -12.7603 -64.8574 -12.7612 142.848 -6.63019 -64.8581 -6.62893 33.0885 GPRESSURE: 3475400 31.4318 156.548 -76.4471 -72.1092 157 -66.2485 -90.266 -45.7455 90.5457 PRESSAVG: 3475400 -36.5953 -3.27728 28.8781 -3.27727 9.13163 -18.5476 28.8782 -18.5476 8.60803 GPRESSAVG: 3475400 -38.0819 -2.65612 28.0025 -3.24891 10.5203 -20.4528 30.5571 -18.446 9.43719 TIMING: 3475400 CPU: 10072.9, 0.00288933/step Wall: 10072.9, 0.00288933/step, 1.22363 hours remaining, 210.152344 MB of memory in use. ENERGY: 3475400 751.5340 2103.4388 1979.0378 115.3856 -206099.5433 17821.2040 0.0000 0.0000 34222.0098 -149106.9332 298.8693 -183328.9431 -149008.8564 299.4004 56.5868 92.9925 557616.8809 -6.2852 -6.0415 PRESSURE: 3475600 75.7827 38.2345 11.9127 38.2349 -16.0082 142.474 11.9133 142.474 -120.352 GPRESSURE: 3475600 126.209 7.61596 -31.0535 36.3339 31.3839 112.688 43.3292 142.836 -123.146 PRESSAVG: 3475600 64.613 19.1924 5.31521 19.1924 -38.3123 -3.41941 5.31525 -3.41955 -36.1061 GPRESSAVG: 3475600 66.0579 20.3099 4.65808 20.0202 -39.1492 -0.317339 5.08282 -4.90574 -36.8414 TIMING: 3475600 CPU: 10073.5, 0.00288114/step Wall: 10073.5, 0.00288114/step, 1.22 hours remaining, 210.355469 MB of memory in use. ENERGY: 3475600 775.0021 2116.0540 1954.5407 116.0793 -206166.1823 17864.2337 0.0000 0.0000 34334.4094 -149005.8630 299.8509 -183340.2724 -148909.6778 299.4540 -20.1923 11.4821 557917.0252 -3.2684 -3.3109 PRESSURE: 3475800 -193.248 -115.645 92.9866 -115.644 -79.9277 98.0724 92.9857 98.0718 -177.313 GPRESSURE: 3475800 -178.99 -100.358 79.841 -50.2765 -92.242 86.1611 79.0239 81.9108 -89.596 PRESSAVG: 3475800 -67.7597 20.6709 35.2557 20.6708 20.8792 -5.96926 35.2558 -5.96932 43.8339 GPRESSAVG: 3475800 -67.9332 19.6298 35.408 20.4378 21.6896 -7.32506 33.4661 -4.93637 42.8967 TIMING: 3475800 CPU: 10074.1, 0.00287637/step Wall: 10074.1, 0.00287637/step, 1.21782 hours remaining, 210.355469 MB of memory in use. ENERGY: 3475800 798.4063 2066.7216 1937.8288 123.7392 -205928.9813 17693.3008 0.0000 0.0000 34341.1694 -148967.8151 299.9100 -183308.9845 -148868.0649 299.9163 -150.1629 -120.2759 559508.9254 -1.0155 -1.1156 PRESSURE: 3476000 63.1378 -99.9842 -9.43107 -99.9859 135.679 -239.118 -9.43156 -239.12 -116.309 GPRESSURE: 3476000 109.945 -54.1219 51.1803 -55.9563 136.094 -203.842 -60.3072 -201.435 -70.2809 PRESSAVG: 3476000 30.3724 -27.4571 3.41266 -27.4572 -5.31665 -30.7222 3.41278 -30.7222 4.29055 GPRESSAVG: 3476000 31.0531 -30.356 4.15771 -25.5583 -5.74663 -30.2715 3.95426 -28.9942 3.88462 TIMING: 3476000 CPU: 10074.6, 0.00288154/step Wall: 10074.6, 0.00288154/step, 1.21985 hours remaining, 210.355469 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: 3476000 783.7484 2096.9683 1948.4796 121.6245 -206309.5118 18068.9110 0.0000 0.0000 34179.4882 -149110.2918 298.4980 -183289.7800 -149010.2734 300.0078 27.5026 58.5860 559266.3032 9.7821 9.7304 PRESSURE: 3476200 -34.8214 21.6044 261.33 21.6042 -245.791 46.9532 261.329 46.9528 72.4045 GPRESSURE: 3476200 -62.094 -17.4229 249.413 12.5334 -183.842 31.5318 201.176 41.2588 136.92 PRESSAVG: 3476200 16.8505 -7.68379 7.67626 -7.68385 -50.757 75.1293 7.67634 75.1292 -2.52589 GPRESSAVG: 3476200 15.3622 -4.42265 7.4996 -9.29797 -49.774 73.0967 10.3836 74.9673 -1.73467 TIMING: 3476200 CPU: 10075.2, 0.00292196/step Wall: 10075.2, 0.00292196/step, 1.2368 hours remaining, 210.355469 MB of memory in use. ENERGY: 3476200 739.2843 2117.9617 1950.2845 115.7335 -205967.2465 17882.8886 0.0000 0.0000 34235.8635 -148925.2303 298.9903 -183161.0939 -148827.6528 299.6108 -69.4026 -36.3386 561598.1915 -12.1441 -12.0488 LDB: ============= START OF LOAD BALANCING ============== 10078.6 LDB: ============== END OF LOAD BALANCING =============== 10078.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10078.6 LDB: ============= START OF LOAD BALANCING ============== 10078.9 LDB: Largest compute 4792 load 0.027573 is 23.4% of average load 0.118041 LDB: Average compute 0.001727 is 1.5% of average load 0.118041 LDB: TIME 10078.9 LOAD: AVG 0.118041 MAX 0.179268 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.953 MB LDB: TIME 10078.9 LOAD: AVG 0.118041 MAX 0.179268 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.152 MB LDB: TIME 10078.9 LOAD: AVG 0.118041 MAX 0.179268 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.152 MB LDB: ============== END OF LOAD BALANCING =============== 10078.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10078.9 PRESSURE: 3476400 -272.98 -110.502 117.799 -110.501 -60.9659 -95.4637 117.799 -95.4638 -89.9394 GPRESSURE: 3476400 -239.022 -172.486 235.838 -93.736 -35.2183 -129.652 68.4208 -40.9387 -43.5496 PRESSAVG: 3476400 -13.0091 6.46415 36.6844 6.4641 -35.9981 9.80439 36.6844 9.80446 48.1576 GPRESSAVG: 3476400 -13.1551 4.14492 39.5755 6.05787 -36.3427 11.5779 32.0814 8.42083 48.1658 TIMING: 3476400 CPU: 10075.8, 0.00294757/step Wall: 10075.8, 0.00294757/step, 1.24748 hours remaining, 211.121094 MB of memory in use. ENERGY: 3476400 709.7157 2098.6609 1968.8344 114.9530 -205253.3435 17384.6669 0.0000 0.0000 34089.5913 -148886.9213 297.7129 -182976.5126 -148791.9104 299.7909 -141.2950 -105.9300 559540.2907 -0.2832 -0.4440 PRESSURE: 3476600 98.8878 -53.0198 -29.5587 -53.0186 24.2864 -4.17708 -29.5581 -4.17703 -132.841 GPRESSURE: 3476600 110.216 -64.2689 -17.0262 -12.8209 85.5892 -109.597 -24.569 36.7422 -108.114 PRESSAVG: 3476600 -38.2513 -0.205188 18.1014 -0.205199 38.8364 1.73458 18.1014 1.73459 22.1253 GPRESSAVG: 3476600 -38.3422 -0.486848 15.1017 0.469895 38.6319 0.136153 21.3516 4.82435 22.4018 TIMING: 3476600 CPU: 10076.4, 0.00289255/step Wall: 10076.4, 0.00289255/step, 1.22403 hours remaining, 211.121094 MB of memory in use. ENERGY: 3476600 747.0229 2035.3739 1957.0510 112.9131 -205885.0671 17759.9515 0.0000 0.0000 34410.1522 -148862.6026 300.5124 -183272.7548 -148769.6563 299.5933 -3.2222 29.2304 558629.3632 7.5702 7.5639 PRESSURE: 3476800 -22.9467 93.8791 141.153 93.8795 -110.954 -15.4452 141.151 -15.4468 -51.1175 GPRESSURE: 3476800 -5.57426 91.8338 143.18 5.76426 -63.257 -50.2521 88.6756 4.63312 -14.9334 PRESSAVG: 3476800 8.45635 -5.0792 -41.3194 -5.07918 -68.0492 -20.4887 -41.3195 -20.4887 48.0438 GPRESSAVG: 3476800 9.33669 -3.10971 -41.7856 -7.06655 -68.555 -19.8312 -42.7217 -23.0668 48.2013 TIMING: 3476800 CPU: 10077, 0.00290486/step Wall: 10077, 0.00290486/step, 1.22908 hours remaining, 211.121094 MB of memory in use. ENERGY: 3476800 760.7576 2091.8846 1929.6171 120.5205 -205827.0511 17675.7856 0.0000 0.0000 34413.3159 -148835.1698 300.5400 -183248.4857 -148740.3748 300.2616 -61.6726 -27.9215 557068.1489 -3.8497 -3.6723 PRESSURE: 3477000 188.312 -4.31293 -17.8358 -4.31237 -441.365 146.258 -17.8357 146.257 -292.629 GPRESSURE: 3477000 215.186 29.4532 -11.9327 -44.845 -389.412 14.3789 -6.42524 111.182 -280.787 PRESSAVG: 3477000 30.3106 -39.9944 14.3918 -39.9944 -27.3967 33.0253 14.3918 33.0253 -15.4015 GPRESSAVG: 3477000 30.6229 -40.3943 14.7723 -39.2895 -26.3467 33.1963 14.8501 33.2566 -15.5447 TIMING: 3477000 CPU: 10077.5, 0.00289748/step Wall: 10077.5, 0.00289748/step, 1.2258 hours remaining, 211.121094 MB of memory in use. ENERGY: 3477000 752.5602 2105.9314 1919.4916 105.6710 -205822.3247 17467.7243 0.0000 0.0000 34649.6743 -148821.2720 302.6042 -183470.9463 -148729.2733 300.2379 -181.8939 -151.6710 558047.4531 -4.1625 -3.7562 PRESSURE: 3477200 32.0134 2.93787 -134.993 2.93739 -220.829 -15.4142 -134.993 -15.4153 86.9358 GPRESSURE: 3477200 59.347 57.67 -123.934 -5.34281 -206.299 -43.1682 -174.661 -21.3965 135.538 PRESSAVG: 3477200 -50.3284 -48.6457 -38.7432 -48.6456 2.96569 -7.06548 -38.7432 -7.06553 69.9848 GPRESSAVG: 3477200 -49.2816 -47.576 -39.0805 -48.7766 2.72448 -6.1106 -38.8065 -7.05902 69.0143 TIMING: 3477200 CPU: 10078.1, 0.0029072/step Wall: 10078.1, 0.0029072/step, 1.22975 hours remaining, 211.121094 MB of memory in use. ENERGY: 3477200 765.8518 2091.8041 1936.2108 116.6398 -206000.1060 17764.6877 0.0000 0.0000 34427.4095 -148897.5023 300.6631 -183324.9119 -148793.8694 300.2440 -33.9599 -3.8045 557993.6040 7.5407 7.4857 PRESSURE: 3477400 -191.125 83.635 -120.956 83.6365 -162.613 -66.3739 -120.955 -66.3741 137.834 GPRESSURE: 3477400 -95.6564 34.4928 -172.773 45.5274 -110.509 38.6759 -169.656 -66.5557 107.245 PRESSAVG: 3477400 -31.9927 -17.0296 -46.46 -17.0296 -20.2194 16.459 -46.46 16.459 52.6099 GPRESSAVG: 3477400 -32.8161 -16.4006 -44.9045 -17.8044 -20.1394 16.3354 -46.9113 16.8889 53.6682 TIMING: 3477400 CPU: 10078.7, 0.0029133/step Wall: 10078.7, 0.0029133/step, 1.23216 hours remaining, 211.324219 MB of memory in use. ENERGY: 3477400 742.6073 2144.6381 1928.1761 119.2751 -205983.1402 17727.8459 0.0000 0.0000 34317.3615 -149003.2363 299.7021 -183320.5978 -148912.5259 300.2120 -71.9679 -32.9734 558509.0491 0.1326 0.2376 PRESSURE: 3477600 -87.0176 127.818 -35.1098 127.819 -158.153 -3.45402 -35.1098 -3.45374 155.577 GPRESSURE: 3477600 -27.4424 61.7165 -69.9663 123.228 -151.583 9.4793 1.60067 18.0311 177.55 PRESSAVG: 3477600 -35.7984 48.9296 -57.3844 48.9296 -3.00351 -13.8717 -57.3844 -13.8718 0.253285 GPRESSAVG: 3477600 -35.5049 46.1021 -59.0937 51.4497 -4.89802 -12.1325 -57.2764 -14.5284 2.00993 TIMING: 3477600 CPU: 10079.3, 0.00291474/step Wall: 10079.3, 0.00291474/step, 1.23261 hours remaining, 211.324219 MB of memory in use. ENERGY: 3477600 734.2568 2037.4535 1974.1804 108.7200 -205688.0912 17586.1558 0.0000 0.0000 34211.3847 -149035.9400 298.7765 -183247.3247 -148942.4922 300.1910 -29.8644 -0.4917 557951.9453 -12.8495 -12.7977 PRESSURE: 3477800 -73.534 4.27006 -186.239 4.26997 -76.8812 94.9049 -186.239 94.9047 141.014 GPRESSURE: 3477800 -26.6889 31.0545 -163.119 46.6929 -7.14628 24.3892 -163.583 125.237 124.433 PRESSAVG: 3477800 -35.5014 11.6797 -13.3735 11.6796 -44.8074 24.0313 -13.3736 24.0314 74.4958 GPRESSAVG: 3477800 -36.4061 12.2738 -13.1432 9.28302 -42.6535 19.7102 -13.263 27.332 73.2798 TIMING: 3477800 CPU: 10079.9, 0.00290186/step Wall: 10079.9, 0.00290186/step, 1.227 hours remaining, 211.324219 MB of memory in use. ENERGY: 3477800 734.4550 2065.8834 1981.4913 114.4494 -206044.5471 17798.2307 0.0000 0.0000 34258.9120 -149091.1253 299.1916 -183350.0373 -149001.6447 299.6097 -3.1336 30.1993 557303.7866 -1.9377 -1.9266 PRESSURE: 3478000 -61.7602 1.26415 79.7117 1.26425 58.7689 139.79 79.7109 139.79 261.502 GPRESSURE: 3478000 -18.8618 0.385339 94.9172 -52.991 53.907 140.215 70.0435 221.461 314.262 PRESSAVG: 3478000 -36.4697 -4.91034 -2.10425 -4.91042 6.4456 13.0499 -2.10427 13.0498 70.5077 GPRESSAVG: 3478000 -35.3633 -4.69653 -2.22346 -3.74095 6.54203 15.5341 -2.42038 9.71244 68.8774 TIMING: 3478000 CPU: 10080.5, 0.00289945/step Wall: 10080.5, 0.00289945/step, 1.22582 hours remaining, 211.324219 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: 3478000 783.0174 2009.4433 1977.5370 119.6738 -205792.2356 17745.3266 0.0000 0.0000 34067.7826 -149089.4550 297.5224 -183157.2376 -148991.9592 299.7810 86.1703 116.4356 557307.0795 13.4945 13.3520 PRESSURE: 3478200 37.5208 -26.9541 114.213 -26.9537 78.9852 53.8419 114.213 53.8429 -280.098 GPRESSURE: 3478200 45.9292 -81.304 115.019 46.5546 80.1761 2.12795 123.582 135.96 -192.734 PRESSAVG: 3478200 -37.6572 9.74904 -18.5907 9.74907 27.8401 13.0641 -18.5908 13.0641 25.7102 GPRESSAVG: 3478200 -38.5929 9.99446 -17.9895 9.30485 27.2 13.151 -18.8213 13.6958 27.4424 TIMING: 3478200 CPU: 10081, 0.00288949/step Wall: 10081, 0.00288949/step, 1.22145 hours remaining, 211.324219 MB of memory in use. ENERGY: 3478200 751.7237 2042.8090 1956.1162 96.5186 -205788.4059 17675.0690 0.0000 0.0000 34127.7757 -149138.3936 298.0464 -183266.1692 -149043.1495 299.2274 -54.5306 -22.2097 558803.7761 5.2977 5.3498 PRESSURE: 3478400 343.121 39.0362 -56.5566 39.0373 -33.0904 19.6145 -56.5564 19.614 120.167 GPRESSURE: 3478400 346.586 -9.18824 -66.1561 94.2922 -7.39477 65.3548 -77.1864 69.0413 190.232 PRESSAVG: 3478400 46.1707 13.7361 -8.61318 13.7362 -0.588483 29.0477 -8.6131 29.0476 -48.9009 GPRESSAVG: 3478400 47.3971 16.1153 -8.5131 12.0432 -1.53885 30.2236 -8.61524 27.688 -49.2867 TIMING: 3478400 CPU: 10081.6, 0.00286494/step Wall: 10081.6, 0.00286494/step, 1.21092 hours remaining, 211.324219 MB of memory in use. ENERGY: 3478400 716.0240 2144.6840 1960.0436 104.2396 -206429.3560 18005.7724 0.0000 0.0000 34359.2740 -149139.3183 300.0681 -183498.5923 -149043.0130 300.2458 143.3993 176.4746 557448.0864 -1.1062 -1.1428 PRESSURE: 3478600 -229.048 -11.4502 -17.8657 -11.45 210.669 8.3644 -17.8649 8.36463 237.547 GPRESSURE: 3478600 -194.136 35.3787 -105.289 -18.4626 258.983 45.8637 -65.4195 114.537 257.424 PRESSAVG: 3478600 7.83161 -6.30735 49.5805 -6.30739 -12.1208 36.043 49.5807 36.0431 6.21306 GPRESSAVG: 3478600 7.04048 -9.00951 49.9488 -3.38345 -11.311 34.3382 48.2319 37.0587 5.96264 TIMING: 3478600 CPU: 10082.2, 0.00287865/step Wall: 10082.2, 0.00287865/step, 1.21655 hours remaining, 211.324219 MB of memory in use. ENERGY: 3478600 741.2899 2137.8319 1961.6861 114.1963 -206454.6777 18021.3711 0.0000 0.0000 34322.8425 -149155.4599 299.7499 -183478.3025 -149062.7110 299.6772 73.0560 107.4237 557692.0501 0.6413 0.5640 PRESSURE: 3478800 80.934 -97.6959 -30.0639 -97.6963 19.2994 -45.87 -30.0641 -45.8694 4.34306 GPRESSURE: 3478800 143.963 -190.077 68.9281 24.6168 33.8502 -17.8511 -53.6977 -112.815 21.0343 PRESSAVG: 3478800 -5.81962 9.87758 -8.29144 9.87762 7.4154 -3.13513 -8.29153 -3.13514 0.00111531 GPRESSAVG: 3478800 -4.67891 9.41073 -8.98732 9.03338 7.14787 -2.47287 -6.17116 -0.748226 -1.07647 TIMING: 3478800 CPU: 10082.8, 0.00291622/step Wall: 10082.8, 0.00291622/step, 1.23226 hours remaining, 211.324219 MB of memory in use. ENERGY: 3478800 746.7093 2076.6529 1960.3200 118.3841 -205919.2972 17603.0476 0.0000 0.0000 34226.8362 -149187.3470 298.9115 -183414.1833 -149092.0026 299.1502 34.8588 66.2826 555793.2112 0.5323 0.4642 PRESSURE: 3479000 -4.80842 95.1422 -1.03868 95.1417 -140.312 172.601 -1.03865 172.603 13.2751 GPRESSURE: 3479000 43.09 99.2877 70.4405 60.2564 -65.5298 144.488 -40.8391 192.006 -9.20022 PRESSAVG: 3479000 56.4775 17.1975 39.6748 17.1976 -58.0072 5.51086 39.6747 5.5109 27.298 GPRESSAVG: 3479000 56.403 18.7048 40.9642 18.0533 -57.7606 6.19623 38.438 1.37037 27.679 TIMING: 3479000 CPU: 10083.3, 0.00289353/step Wall: 10083.3, 0.00289353/step, 1.22251 hours remaining, 211.324219 MB of memory in use. ENERGY: 3479000 754.8123 2101.4050 1957.8678 114.9128 -206294.9593 17766.7137 0.0000 0.0000 34298.5585 -149300.6893 299.5378 -183599.2478 -149204.3328 298.9910 -43.9485 -10.5467 556563.3212 8.5894 8.7738 PRESSURE: 3479200 173.415 -51.4693 -89.2164 -51.469 183.472 -58.5339 -89.2149 -58.533 212.112 GPRESSURE: 3479200 215.143 61.556 -159.704 -40.8381 216.889 -82.8281 -1.90477 -79.3633 235.964 PRESSAVG: 3479200 18.3148 6.72965 7.74937 6.72966 -15.3432 44.7638 7.74935 44.7637 0.125658 GPRESSAVG: 3479200 18.4309 6.09543 7.07664 5.61084 -15.6018 41.3278 8.48329 48.9013 0.616135 TIMING: 3479200 CPU: 10083.9, 0.0028848/step Wall: 10083.9, 0.0028848/step, 1.21867 hours remaining, 211.324219 MB of memory in use. ENERGY: 3479200 755.9477 2054.5373 1956.2483 106.3678 -206401.2291 18076.9940 0.0000 0.0000 34190.7753 -149260.3587 298.5965 -183451.1340 -149162.7960 299.4774 189.6664 222.6652 558419.2820 1.0324 1.1484 PRESSURE: 3479400 -139.394 -78.3429 71.4721 -78.3415 -128.359 -5.63733 71.4728 -5.63532 -135.122 GPRESSURE: 3479400 -54.4378 -85.7242 86.436 -116.243 -119.806 27.9188 129.884 33.6979 -127.379 PRESSAVG: 3479400 19.4739 -21.8684 -4.15463 -21.8684 14.6658 36.5232 -4.15467 36.5233 -3.91817 GPRESSAVG: 3479400 18.5394 -22.8138 -4.32392 -21.5417 14.4324 37.0547 -4.0751 36.9838 -3.5369 TIMING: 3479400 CPU: 10084.5, 0.0028776/step Wall: 10084.5, 0.0028776/step, 1.21547 hours remaining, 211.324219 MB of memory in use. ENERGY: 3479400 742.4072 2119.1314 1955.5834 113.4474 -206206.6018 17625.4376 0.0000 0.0000 34227.3991 -149423.1956 298.9164 -183650.5947 -149329.3811 299.0268 -134.2917 -100.5410 558320.3177 10.0738 9.8117 PRESSURE: 3479600 -217.341 -4.7482 52.8901 -4.74857 -192.904 60.7984 52.8898 60.7984 -96.3464 GPRESSURE: 3479600 -221.126 -6.33968 73.5515 -50.9328 -110.978 97.4507 82.4371 64.0528 -82.6565 PRESSAVG: 3479600 7.52732 -29.0586 36.0496 -29.0587 -9.10511 44.4907 36.0495 44.4907 9.83704 GPRESSAVG: 3479600 7.03957 -27.4478 38.2636 -30.7173 -8.29176 45.5928 34.3137 41.3227 9.0852 TIMING: 3479600 CPU: 10085.1, 0.00287481/step Wall: 10085.1, 0.00287481/step, 1.21413 hours remaining, 211.324219 MB of memory in use. ENERGY: 3479600 735.5635 2097.6655 1934.5993 108.4229 -206222.5105 17615.7602 0.0000 0.0000 34275.1339 -149455.3651 299.3333 -183730.4991 -149353.3356 299.0381 -168.8638 -138.2534 557991.6553 2.7531 2.6110 PRESSURE: 3479800 64.5083 -7.70696 -190.007 -7.70668 -246.628 258.847 -190.007 258.847 24.8609 GPRESSURE: 3479800 138.48 -87.1356 -219.965 21.6162 -258.324 173.031 -85.1976 304.026 49.0537 PRESSAVG: 3479800 21.2261 3.97921 -7.49235 3.97923 -40.5209 103.744 -7.49243 103.744 41.2792 GPRESSAVG: 3479800 20.6449 2.67273 -7.81214 6.02467 -41.0317 101.754 -5.55427 106.145 42.6603 TIMING: 3479800 CPU: 10085.6, 0.00288063/step Wall: 10085.6, 0.00288063/step, 1.21643 hours remaining, 211.324219 MB of memory in use. ENERGY: 3479800 719.6862 2074.1114 1953.1650 117.1508 -206324.5392 17683.0435 0.0000 0.0000 34171.0066 -149606.3757 298.4239 -183777.3823 -149514.1968 298.2313 -52.4195 -23.5966 557223.2240 7.3281 7.4245 PRESSURE: 3480000 -50.2315 -99.5047 54.6378 -99.5057 17.7113 31.4556 54.6368 31.4568 94.907 GPRESSURE: 3480000 -3.62426 -73.9305 116.413 -205.483 13.2851 69.3119 48.5384 16.5248 143.624 PRESSAVG: 3480000 25.5458 1.87409 10.4572 1.87407 -37.3563 101.022 10.4573 101.022 26.2881 GPRESSAVG: 3480000 27.5469 2.67774 9.13707 -0.566897 -37.3607 103.299 10.2939 96.0469 24.5951 TIMING: 3480000 CPU: 10086.2, 0.00287623/step Wall: 10086.2, 0.00287623/step, 1.21441 hours remaining, 211.324219 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: 3480000 718.4606 2045.9576 1943.4279 112.6109 -206454.3971 17759.5981 0.0000 0.0000 34387.9686 -149486.3734 300.3187 -183874.3420 -149388.8137 298.1147 20.7956 51.0950 558360.9224 4.8259 4.9271 PRESSURE: 3480200 -33.9377 -176.443 -254.635 -176.443 -52.313 151.23 -254.637 151.229 120.859 GPRESSURE: 3480200 3.11898 -68.822 -251.376 -125.653 -67.0129 157.984 -233.407 174.676 197.189 PRESSAVG: 3480200 10.4798 -59.6316 0.306337 -59.6316 -23.5857 61.9889 0.3063 61.9889 20.8606 GPRESSAVG: 3480200 9.15642 -60.8283 0.843991 -57.8822 -23.0567 59.2462 0.730512 65.7207 21.1735 TIMING: 3480200 CPU: 10086.8, 0.00285358/step Wall: 10086.8, 0.00285358/step, 1.20469 hours remaining, 211.324219 MB of memory in use. ENERGY: 3480200 746.0900 2053.4702 1971.4161 109.5622 -206351.0740 17847.1426 0.0000 0.0000 34177.4808 -149445.9121 298.4804 -183623.3930 -149351.9788 299.1230 11.5360 44.4317 557012.6474 2.5849 2.4244 LDB: ============= START OF LOAD BALANCING ============== 10090.2 LDB: ============== END OF LOAD BALANCING =============== 10090.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10090.2 LDB: ============= START OF LOAD BALANCING ============== 10090.5 LDB: Largest compute 4792 load 0.027721 is 23.5% of average load 0.118058 LDB: Average compute 0.001719 is 1.5% of average load 0.118058 LDB: TIME 10090.5 LOAD: AVG 0.118058 MAX 0.180818 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.613 MB LDB: TIME 10090.5 LOAD: AVG 0.118058 MAX 0.180818 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.617 MB LDB: TIME 10090.5 LOAD: AVG 0.118058 MAX 0.180818 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10090.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10090.5 PRESSURE: 3480400 14.3521 -80.9198 -34.9131 -80.9194 -132.328 82.7588 -34.9123 82.759 -70.9713 GPRESSURE: 3480400 -12.3798 -81.3421 -62.83 -104.163 -83.0448 108.968 -25.202 120.32 -2.46026 PRESSAVG: 3480400 -7.53182 -4.79089 5.97712 -4.79092 -4.93099 43.7198 5.97714 43.72 -10.8324 GPRESSAVG: 3480400 -7.47574 -4.23191 6.2083 -3.8342 -5.76955 47.5909 6.05265 42.8876 -9.40547 TIMING: 3480400 CPU: 10087.4, 0.00292408/step Wall: 10087.4, 0.00292408/step, 1.23429 hours remaining, 211.824219 MB of memory in use. ENERGY: 3480400 766.8759 2099.2581 1944.1159 103.3077 -206563.1236 17907.9627 0.0000 0.0000 34154.9202 -149586.6831 298.2834 -183741.6033 -149485.1952 299.3989 -62.9825 -32.6283 556847.0440 -7.7651 -7.5503 PRESSURE: 3480600 -196.173 41.8511 -137.622 41.8511 10.6199 104.449 -137.62 104.45 244.477 GPRESSURE: 3480600 -158.974 -9.36259 -142.117 142.818 28.3739 91.4329 -110.977 155.617 292.49 PRESSAVG: 3480600 -95.3818 -30.4122 -42.3242 -30.4122 46.638 -1.06485 -42.3241 -1.06475 39.1608 GPRESSAVG: 3480600 -94.706 -28.7423 -40.1194 -32.1382 46.547 -3.49116 -43.1076 -0.882649 38.9455 TIMING: 3480600 CPU: 10088, 0.00288784/step Wall: 10088, 0.00288784/step, 1.21883 hours remaining, 211.894531 MB of memory in use. ENERGY: 3480600 748.7056 2071.2407 1949.7193 105.0408 -206314.7489 17841.1445 0.0000 0.0000 34193.2120 -149405.6859 298.6178 -183598.8979 -149310.0744 298.5789 19.6415 53.9635 557567.8544 -3.1943 -3.0712 PRESSURE: 3480800 -35.7347 -1.114 66.9591 -1.11384 -11.1688 113.877 66.9598 113.876 46.0847 GPRESSURE: 3480800 -3.1385 -35.5565 71.0143 37.5595 22.7344 118.372 44.8353 145.153 76.9668 PRESSAVG: 3480800 21.2974 34.7046 -31.2174 34.7046 -8.74443 8.88985 -31.2175 8.88987 4.03351 GPRESSAVG: 3480800 21.5916 30.8207 -31.8906 37.5203 -8.55112 8.56837 -30.2521 9.13273 3.85964 TIMING: 3480800 CPU: 10088.5, 0.0028898/step Wall: 10088.5, 0.0028898/step, 1.2195 hours remaining, 211.894531 MB of memory in use. ENERGY: 3480800 746.2350 2035.1330 1940.7066 116.0890 -206284.0602 17833.6228 0.0000 0.0000 34349.0012 -149263.2726 299.9784 -183612.2738 -149170.2189 299.0942 -0.2729 32.1875 558004.5046 5.5288 5.6334 PRESSURE: 3481000 -192.24 -82.5879 9.59731 -82.5882 -183.193 -74.4867 9.59854 -74.4869 159.7 GPRESSURE: 3481000 -198.005 -132.754 25.8359 -15.5714 -132.061 -101.755 74.5999 6.2474 208.508 PRESSAVG: 3481000 54.0291 -45.4549 30.88 -45.4549 -76.3807 -21.328 30.88 -21.3282 37.1156 GPRESSAVG: 3481000 52.9085 -43.7636 31.2597 -45.9104 -76.7082 -19.6514 31.153 -22.3207 37.7538 TIMING: 3481000 CPU: 10089.1, 0.00290672/step Wall: 10089.1, 0.00290672/step, 1.22648 hours remaining, 211.894531 MB of memory in use. ENERGY: 3481000 757.8337 2057.1514 1969.0712 101.9017 -206639.8909 17875.5970 0.0000 0.0000 34402.5068 -149475.8291 300.4456 -183878.3359 -149378.5433 299.0918 -71.9109 -40.5193 558023.9541 4.9213 4.6514 PRESSURE: 3481200 136.018 -2.49112 -51.438 -2.4924 -130.734 -41.1844 -51.4375 -41.1828 189.146 GPRESSURE: 3481200 182.235 52.5919 73.0702 15.1411 -114.664 -32.4316 -51.0525 -50.9504 225.214 PRESSAVG: 3481200 -47.8951 7.01139 -44.8192 7.01135 -5.73781 -7.74535 -44.8192 -7.74533 32.9128 GPRESSAVG: 3481200 -47.1181 11.0371 -45.2586 3.7622 -6.36349 -9.13362 -44.9296 -8.09064 32.9627 TIMING: 3481200 CPU: 10089.7, 0.00288509/step Wall: 10089.7, 0.00288509/step, 1.21719 hours remaining, 211.894531 MB of memory in use. ENERGY: 3481200 790.3403 2047.1252 1927.8137 118.4656 -206723.8040 18128.7004 0.0000 0.0000 34221.9404 -149489.4184 298.8687 -183711.3588 -149390.7672 298.9500 64.8103 97.5952 556744.9810 -6.9067 -6.8396 PRESSURE: 3481400 105.985 97.4282 16.4139 97.4281 245.705 -19.693 16.4144 -19.6935 137.195 GPRESSURE: 3481400 111.182 29.1105 -40.9772 68.2265 299.407 -13.6481 51.007 -42.9101 180.496 PRESSAVG: 3481400 -11.9216 0.256344 14.8072 0.256283 17.8712 -42.4255 14.8071 -42.4255 21.1252 GPRESSAVG: 3481400 -12.2904 -1.42469 15.2956 0.539432 18.5606 -41.4351 14.555 -42.9101 20.9881 TIMING: 3481400 CPU: 10090.3, 0.00288048/step Wall: 10090.3, 0.00288048/step, 1.21508 hours remaining, 211.894531 MB of memory in use. ENERGY: 3481400 701.3631 2128.3637 1946.1963 117.2293 -206597.3958 17958.9962 0.0000 0.0000 34190.8520 -149554.3953 298.5972 -183745.2473 -149455.8863 298.6449 162.9615 197.0283 557023.4404 9.0249 9.0861 PRESSURE: 3481600 -244.939 -144.689 -161.465 -144.689 -73.0516 0.925081 -161.464 0.92584 209.194 GPRESSURE: 3481600 -227.754 -150.101 7.23173 -106.142 -50.9984 6.65133 -261.806 -5.32344 270.088 PRESSAVG: 3481600 2.5878 -11.2972 -53.9265 -11.2972 -58.9188 -36.5425 -53.9266 -36.5426 85.6445 GPRESSAVG: 3481600 2.25709 -12.0814 -53.629 -9.41932 -58.286 -36.0647 -55.9602 -37.0793 85.5669 TIMING: 3481600 CPU: 10090.8, 0.00289412/step Wall: 10090.8, 0.00289412/step, 1.22068 hours remaining, 211.894531 MB of memory in use. ENERGY: 3481600 742.3561 2064.2382 1962.3668 133.4110 -206461.7894 17732.5992 0.0000 0.0000 34146.6081 -149680.2099 298.2108 -183826.8180 -149587.6605 298.4573 -36.2656 -2.8881 558070.0983 9.7712 9.8460 PRESSURE: 3481800 -247.399 65.7615 83.4094 65.7609 45.5419 -21.8137 83.4096 -21.8144 -210.404 GPRESSURE: 3481800 -216.654 33.5147 60.2119 -74.6009 132.342 -72.5904 152.511 -18.4014 -220.755 PRESSAVG: 3481800 -42.727 -26.8587 5.80574 -26.8587 28.521 39.3776 5.80582 39.3775 -12.8627 GPRESSAVG: 3481800 -40.8467 -29.0236 3.98136 -26.7059 26.7604 37.5892 9.78934 40.9753 -13.6247 TIMING: 3481800 CPU: 10091.4, 0.0028732/step Wall: 10091.4, 0.0028732/step, 1.21169 hours remaining, 211.894531 MB of memory in use. ENERGY: 3481800 744.9999 2087.5822 1987.0932 125.8314 -206382.5414 17650.1551 0.0000 0.0000 34038.4082 -149748.4714 297.2659 -183786.8796 -149640.9702 297.7061 -137.4202 -101.6890 557762.2617 -9.0229 -9.2370 PRESSURE: 3482000 45.6251 -56.6379 -78.0283 -56.6372 -230.881 -26.181 -78.0294 -26.1807 41.5714 GPRESSURE: 3482000 63.0782 -96.3272 -115.418 -88.9241 -216.056 -33.9787 -85.7735 46.1908 110.121 PRESSAVG: 3482000 43.3561 -8.30591 -38.071 -8.30588 -74.4213 10.886 -38.071 10.8859 38.5368 GPRESSAVG: 3482000 42.4469 -7.03483 -37.5093 -7.72054 -74.1243 13.4108 -40.4769 10.5531 39.4127 TIMING: 3482000 CPU: 10092, 0.00288634/step Wall: 10092, 0.00288634/step, 1.21708 hours remaining, 211.894531 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: 3482000 770.2463 2130.4292 1962.6859 117.6703 -206611.5169 17855.6793 0.0000 0.0000 34197.7939 -149577.0120 298.6578 -183774.8060 -149483.6141 297.6344 -47.8949 -14.2859 555642.1782 2.4905 2.5784 PRESSURE: 3482200 -161.679 96.2561 77.3763 96.2555 -1.31103 147.381 77.3764 147.379 -2.87816 GPRESSURE: 3482200 -95.9598 19.7322 35.0915 91.8328 12.0942 176.459 97.9091 136.661 24.7493 PRESSAVG: 3482200 -37.0259 32.0909 31.9791 32.0908 -74.6782 41.2824 31.9791 41.2825 110.801 GPRESSAVG: 3482200 -37.6423 33.2561 33.3365 29.926 -74.4877 38.6676 31.108 42.3008 110.37 TIMING: 3482200 CPU: 10092.6, 0.00288306/step Wall: 10092.6, 0.00288306/step, 1.21553 hours remaining, 212.078125 MB of memory in use. ENERGY: 3482200 748.0675 2087.7475 1926.6104 116.3000 -206541.2214 17769.4186 0.0000 0.0000 34166.4486 -149726.6288 298.3841 -183893.0774 -149626.1014 297.7147 -55.2895 -19.7055 556705.3518 -0.3010 -0.5867 PRESSURE: 3482400 164.992 -286.343 -93.0517 -286.344 -132.417 59.7645 -93.0525 59.7642 263.648 GPRESSURE: 3482400 194.399 -266.233 -69.8319 -329.11 -101.42 50.819 -129.671 -17.1786 295.299 PRESSAVG: 3482400 26.5426 -52.1865 4.17137 -52.1864 -27.5614 21.3968 4.17136 21.3969 4.17109 GPRESSAVG: 3482400 25.7864 -53.3566 2.20172 -51.6286 -27.1519 22.2721 7.65883 20.4823 4.80432 TIMING: 3482400 CPU: 10093.2, 0.00289062/step Wall: 10093.2, 0.00289062/step, 1.21856 hours remaining, 212.078125 MB of memory in use. ENERGY: 3482400 754.0673 2067.4483 1943.7794 128.4429 -206633.5334 18047.5513 0.0000 0.0000 33951.9102 -149740.3339 296.5105 -183692.2441 -149643.9963 297.0410 98.7409 129.4260 554883.4804 1.0508 1.1463 PRESSURE: 3482600 101.071 132.439 -113.631 132.439 96.3213 -25.2149 -113.632 -25.215 -18.6545 GPRESSURE: 3482600 147.298 161.083 -119.789 99.9695 140.413 -57.7293 -115.595 16.2349 5.72172 PRESSAVG: 3482600 45.0192 29.145 -52.4271 29.145 -45.9555 -66.3742 -52.4272 -66.3742 -27.0313 GPRESSAVG: 3482600 45.6089 27.1943 -49.3865 30.5897 -46.5882 -67.2738 -55.8929 -65.9194 -27.0549 TIMING: 3482600 CPU: 10093.7, 0.00289802/step Wall: 10093.7, 0.00289802/step, 1.22151 hours remaining, 212.281250 MB of memory in use. ENERGY: 3482600 745.7716 2097.7543 1968.8439 111.7861 -206728.0747 18029.1426 0.0000 0.0000 34079.6444 -149695.1318 297.6260 -183774.7762 -149600.7884 297.6305 59.5792 97.8112 556936.8371 -9.3226 -9.3448 PRESSURE: 3482800 -118.19 65.6953 31.8806 65.6949 -166.597 -128.934 31.8795 -128.934 -236.694 GPRESSURE: 3482800 -75.5944 70.6073 -23.1011 -29.8798 -188.635 -98.8218 41.2509 -114.754 -169.144 PRESSAVG: 3482800 9.04086 20.1432 8.62065 20.1432 25.3923 -33.2821 8.62078 -33.2821 -33.6929 GPRESSAVG: 3482800 9.97602 21.4302 6.43093 19.5629 24.076 -30.3945 9.0102 -35.0031 -33.9107 TIMING: 3482800 CPU: 10094.3, 0.00289113/step Wall: 10094.3, 0.00289113/step, 1.21845 hours remaining, 212.281250 MB of memory in use. ENERGY: 3482800 747.6123 2085.1356 1939.5095 108.7719 -206170.8223 17515.9323 0.0000 0.0000 33896.8027 -149877.0580 296.0292 -183773.8607 -149775.5852 297.4136 -173.8269 -144.4580 557177.6992 0.2468 0.0471 PRESSURE: 3483000 208.63 52.1045 141.657 52.1037 -79.3956 -58.2401 141.659 -58.2416 -33.6053 GPRESSURE: 3483000 224.608 38.1338 124.787 73.3373 -12.2859 -55.3949 138.097 -59.2916 -16.2337 PRESSAVG: 3483000 45.7978 -1.51299 44.4895 -1.51291 -8.11951 -9.9302 44.4895 -9.93024 6.16355 GPRESSAVG: 3483000 44.6957 -0.372185 45.6887 -2.12409 -6.09925 -13.3248 43.8257 -7.66881 5.17134 TIMING: 3483000 CPU: 10094.9, 0.00287375/step Wall: 10094.9, 0.00287375/step, 1.21096 hours remaining, 212.281250 MB of memory in use. ENERGY: 3483000 764.0754 2081.4074 1965.3867 130.0317 -206792.2897 17901.0246 0.0000 0.0000 34068.5832 -149881.7806 297.5294 -183950.3638 -149781.6365 297.1728 31.8764 65.3627 555280.1958 14.6139 14.5893 PRESSURE: 3483200 91.006 -139.191 -99.9395 -139.192 52.5967 87.6227 -99.9392 87.6226 -108.699 GPRESSURE: 3483200 103.022 -169.354 -116.951 -200.867 106.41 84.8708 -10.8731 135.114 -71.6173 PRESSAVG: 3483200 45.354 -1.75278 46.4476 -1.75286 3.12916 -7.6479 46.4476 -7.64789 -55.9962 GPRESSAVG: 3483200 45.0937 -4.54505 46.6547 -0.978176 3.31382 -4.49523 47.0072 -8.23076 -56.2015 TIMING: 3483200 CPU: 10095.5, 0.00285069/step Wall: 10095.5, 0.00285069/step, 1.20109 hours remaining, 212.281250 MB of memory in use. ENERGY: 3483200 763.4758 2111.8824 1949.0668 107.4310 -206513.9810 17874.3806 0.0000 0.0000 33877.1847 -149830.5598 295.8579 -183707.7445 -149737.2641 297.5382 11.6345 45.9383 556320.1339 -2.5043 -2.5980 PRESSURE: 3483400 -150.063 -217.687 9.07168 -217.687 -279.149 -73.6853 9.07125 -73.6858 -255.354 GPRESSURE: 3483400 -79.1621 -203.172 -35.9251 -216.489 -287.206 -102.634 -48.7697 21.0694 -222.567 PRESSAVG: 3483400 41.7345 -25.9889 28.4984 -25.989 -39.8552 -46.2419 28.4985 -46.2419 -32.8095 GPRESSAVG: 3483400 42.2428 -24.1716 27.4591 -25.3865 -41.9606 -47.451 29.6338 -48.4301 -30.7778 TIMING: 3483400 CPU: 10096, 0.0028879/step Wall: 10096, 0.0028879/step, 1.21661 hours remaining, 212.281250 MB of memory in use. ENERGY: 3483400 770.4603 2063.0303 1965.1591 111.5104 -206441.7793 17752.4227 0.0000 0.0000 34115.3425 -149663.8540 297.9378 -183779.1965 -149562.9082 297.4267 -228.1887 -196.3115 558638.2079 -10.3101 -10.1652 PRESSURE: 3483600 -68.1089 -198.204 40.4344 -198.203 -176.175 -75.3613 40.4332 -75.3613 -38.5903 GPRESSURE: 3483600 6.47309 -177.263 31.1823 -206.122 -193.218 -40.943 11.2785 -114.027 18.8241 PRESSAVG: 3483600 40.5175 -14.6634 57.5549 -14.6634 -80.0867 -30.0117 57.5549 -30.0116 23.0645 GPRESSAVG: 3483600 39.9293 -13.418 57.3922 -15.4068 -78.8862 -29.3306 57.5537 -29.5395 22.4767 TIMING: 3483600 CPU: 10096.6, 0.00288864/step Wall: 10096.6, 0.00288864/step, 1.21676 hours remaining, 212.281250 MB of memory in use. ENERGY: 3483600 760.1052 2091.8040 1962.6295 105.8659 -206652.9345 17976.4074 0.0000 0.0000 34174.9488 -149581.1738 298.4583 -183756.1226 -149489.8805 297.7526 -94.2916 -55.9735 557080.3633 -5.5015 -5.4934 PRESSURE: 3483800 80.0721 41.2936 156.052 41.292 109.3 -6.73678 156.052 -6.73691 81.5053 GPRESSURE: 3483800 73.6986 34.5841 202.987 -18.4142 156.857 -11.7779 123.015 47.0097 153.652 PRESSAVG: 3483800 -7.49283 -20.4535 19.083 -20.4535 -81.9768 -31.2324 19.0831 -31.2325 49.9095 GPRESSAVG: 3483800 -6.41043 -22.2926 19.7283 -21.0821 -81.6209 -32.6987 17.9381 -31.3349 48.5222 TIMING: 3483800 CPU: 10097.2, 0.00290024/step Wall: 10097.2, 0.00290024/step, 1.22149 hours remaining, 212.281250 MB of memory in use. ENERGY: 3483800 744.5666 2155.5186 1948.2657 117.7365 -206897.2752 18091.7306 0.0000 0.0000 34119.6360 -149719.8213 297.9753 -183839.4573 -149618.8625 297.5355 90.2926 128.0695 557351.5492 -13.1867 -13.1697 PRESSURE: 3484000 -52.7797 -19.141 89.1683 -19.1406 -76.9099 24.6631 89.1682 24.6617 -85.5025 GPRESSURE: 3484000 -49.3141 -127.352 127.833 91.6055 -2.08999 -25.0994 39.6271 15.8819 -72.1238 PRESSAVG: 3484000 43.5447 -13.9951 37.1508 -13.9951 -32.1985 -7.5279 37.1509 -7.52798 -0.0186287 GPRESSAVG: 3484000 42.0622 -14.6717 38.0494 -11.8008 -32.3352 -7.88688 37.4947 -5.15605 0.927649 TIMING: 3484000 CPU: 10097.8, 0.00289877/step Wall: 10097.8, 0.00289877/step, 1.22071 hours remaining, 212.281250 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: 3484000 773.7359 2065.7356 1951.2752 109.4645 -206700.5465 17920.3190 0.0000 0.0000 34095.6666 -149784.3498 297.7659 -183880.0164 -149685.9736 297.1247 -71.7307 -41.1760 556327.6774 3.7759 3.5515 PRESSURE: 3484200 -11.8092 -45.381 -211.431 -45.3814 78.9368 51.8134 -211.431 51.8147 96.6234 GPRESSURE: 3484200 55.9069 -29.1138 -223.528 -88.6943 42.8525 66.5003 -150.473 -39.9742 165.326 PRESSAVG: 3484200 20.7793 23.9311 -19.0136 23.9311 16.6643 -21.779 -19.0136 -21.779 41.7746 GPRESSAVG: 3484200 20.9046 25.2212 -19.4824 22.9361 16.2062 -19.2445 -18.2984 -23.8335 41.5111 TIMING: 3484200 CPU: 10098.4, 0.00290878/step Wall: 10098.4, 0.00290878/step, 1.22476 hours remaining, 212.281250 MB of memory in use. ENERGY: 3484200 746.9125 2138.6232 1933.7408 120.2344 -206596.4526 17925.5455 0.0000 0.0000 34116.4920 -149614.9043 297.9478 -183731.3963 -149523.8630 297.5755 54.5837 88.0284 556056.7111 26.4060 26.2073 LDB: ============= START OF LOAD BALANCING ============== 10101.7 LDB: ============== END OF LOAD BALANCING =============== 10101.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10101.7 LDB: ============= START OF LOAD BALANCING ============== 10102 LDB: Largest compute 4792 load 0.027271 is 23.1% of average load 0.117926 LDB: Average compute 0.001722 is 1.5% of average load 0.117926 LDB: TIME 10102 LOAD: AVG 0.117926 MAX 0.179256 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.941 MB LDB: TIME 10102 LOAD: AVG 0.117926 MAX 0.179256 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.145 MB LDB: TIME 10102 LOAD: AVG 0.117926 MAX 0.179256 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.145 MB LDB: ============== END OF LOAD BALANCING =============== 10102 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10102 PRESSURE: 3484400 48.8208 -35.9327 88.0018 -35.9328 -121.194 -76.5388 88.0011 -76.5377 -119.195 GPRESSURE: 3484400 76.534 -18.4861 146.147 -100.854 -136.463 -69.1787 156.423 -47.8047 -36.7202 PRESSAVG: 3484400 -2.02731 -23.1064 -18.2813 -23.1065 -54.2726 28.9381 -18.2813 28.9382 12.6666 GPRESSAVG: 3484400 -0.481743 -22.7171 -18.4946 -23.9783 -54.4704 28.1957 -18.0569 30.4546 11.602 TIMING: 3484400 CPU: 10098.9, 0.00295799/step Wall: 10098.9, 0.00295799/step, 1.24532 hours remaining, 211.632812 MB of memory in use. ENERGY: 3484400 764.3175 2136.3062 1969.9205 114.8218 -206406.1857 17697.0287 0.0000 0.0000 34056.0145 -149667.7765 297.4196 -183723.7910 -149574.8355 297.4725 -63.8560 -32.2166 557112.7177 -14.5444 -14.4500 PRESSURE: 3484600 -150.606 64.5 45.5178 64.4994 -344.235 -23.3421 45.5178 -23.342 132.24 GPRESSURE: 3484600 -128.917 -55.8625 98.6367 -13.992 -328.241 83.3658 22.0082 -46.6404 195.197 PRESSAVG: 3484600 -9.39886 -3.51103 51.146 -3.51106 9.66801 -7.15993 51.146 -7.15996 35.405 GPRESSAVG: 3484600 -9.74074 -4.10904 51.0491 -4.49394 9.21306 -8.79059 50.7226 -7.3731 36.6624 TIMING: 3484600 CPU: 10099.5, 0.00289948/step Wall: 10099.5, 0.00289948/step, 1.22052 hours remaining, 211.835938 MB of memory in use. ENERGY: 3484600 750.6966 2082.2552 1964.5211 118.8283 -206367.1408 17655.5413 0.0000 0.0000 34069.9566 -149725.3418 297.5414 -183795.2984 -149628.9183 297.9884 -120.8671 -87.3204 556678.6965 11.8914 12.0449 PRESSURE: 3484800 -104.408 133.791 -113.525 133.791 14.0013 36.5416 -113.525 36.5424 -174.099 GPRESSURE: 3484800 -88.4626 83.322 -127.972 78.2114 69.0481 70.0243 -63.5435 58.522 -148.15 PRESSAVG: 3484800 -10.9505 -67.9334 39.8391 -67.9334 14.8859 4.4676 39.8392 4.46762 14.4119 GPRESSAVG: 3484800 -12.0073 -68.3151 42.4806 -65.8396 15.9359 5.34296 39.2949 3.54059 14.6053 TIMING: 3484800 CPU: 10100.1, 0.00289731/step Wall: 10100.1, 0.00289731/step, 1.21944 hours remaining, 211.835938 MB of memory in use. ENERGY: 3484800 785.7011 2090.4648 1949.8981 111.8568 -206635.0103 17749.7828 0.0000 0.0000 34371.8838 -149575.4228 300.1782 -183947.3066 -149479.5581 298.2379 -88.1684 -55.8547 557089.4130 6.1158 6.1780 PRESSURE: 3485000 -304.445 128.045 -31.6469 128.046 -119.047 -2.98897 -31.6473 -2.98713 -108.135 GPRESSURE: 3485000 -255.93 109.581 -57.5653 115.358 -81.0413 17.2622 6.42744 28.5205 -97.0895 PRESSAVG: 3485000 -60.373 -33.6953 -26.3437 -33.6954 66.0227 -29.6709 -26.3437 -29.6709 16.1933 GPRESSAVG: 3485000 -60.761 -33.1007 -27.1535 -35.5491 66.2266 -30.6397 -25.7779 -29.1897 16.3322 TIMING: 3485000 CPU: 10100.7, 0.00290724/step Wall: 10100.7, 0.00290724/step, 1.22346 hours remaining, 211.835938 MB of memory in use. ENERGY: 3485000 782.5420 2072.4528 1971.0443 104.9685 -206421.0193 17737.2553 0.0000 0.0000 34285.8300 -149466.9264 299.4267 -183752.7564 -149371.9892 298.6083 -177.2090 -144.6869 557373.3367 7.2810 7.2659 PRESSURE: 3485200 -89.3253 13.0289 159.233 13.0286 -137.087 -47.2618 159.234 -47.2618 -81.7694 GPRESSURE: 3485200 -54.9524 -8.49618 177.25 54.5377 -112.417 4.67245 93.1508 -16.5342 -56.1581 PRESSAVG: 3485200 -19.4669 11.2551 -68.7444 11.2551 -33.0949 15.7643 -68.7443 15.7642 41.098 GPRESSAVG: 3485200 -17.6096 10.3591 -69.7893 14.1472 -33.886 16.1252 -68.1554 14.9444 39.9983 TIMING: 3485200 CPU: 10101.3, 0.00288543/step Wall: 10101.3, 0.00288543/step, 1.21412 hours remaining, 211.835938 MB of memory in use. ENERGY: 3485200 781.6598 2041.1482 1957.4521 122.4800 -206311.1649 17743.3110 0.0000 0.0000 34125.4137 -149539.7001 298.0257 -183665.1137 -149439.6637 298.5546 -102.7272 -74.5091 555869.4519 -3.8213 -3.8324 PRESSURE: 3485400 -77.959 49.8173 245.956 49.8186 97.7541 6.24553 245.954 6.24625 8.36029 GPRESSURE: 3485400 1.9627 -96.2628 285.371 147.424 77.0831 12.7198 211.454 -42.6442 44.7987 PRESSAVG: 3485400 -16.6205 32.1861 5.63478 32.1862 59.5197 2.32325 5.6348 2.32328 -44.6262 GPRESSAVG: 3485400 -17.0212 31.5678 6.15267 31.4009 59.0744 3.54145 4.71942 2.21436 -44.0143 TIMING: 3485400 CPU: 10101.8, 0.00287558/step Wall: 10101.8, 0.00287558/step, 1.20982 hours remaining, 211.835938 MB of memory in use. ENERGY: 3485400 769.2251 2075.6319 1953.9475 121.5880 -206374.0012 17837.7758 0.0000 0.0000 34105.7552 -149510.0777 297.8540 -183615.8329 -149418.8573 297.9894 9.3851 41.2815 556662.5821 -0.5757 -0.6537 PRESSURE: 3485600 -146.786 -123.233 24.6979 -123.232 -27.6569 160.708 24.6976 160.708 -95.4626 GPRESSURE: 3485600 -135.479 -144.002 -51.6151 -60.6775 31.3768 124.942 49.7405 168.515 -71.5228 PRESSAVG: 3485600 -8.51254 28.2018 61.0075 28.2018 -0.811688 -51.5674 61.0075 -51.5675 30.7901 GPRESSAVG: 3485600 -8.32588 27.9663 60.7159 27.2676 -0.16935 -54.4174 59.8312 -50.9938 29.7537 TIMING: 3485600 CPU: 10102.4, 0.00287377/step Wall: 10102.4, 0.00287377/step, 1.2089 hours remaining, 211.835938 MB of memory in use. ENERGY: 3485600 757.9480 2118.9204 1953.6319 107.4538 -206825.6380 18053.7774 0.0000 0.0000 34298.4108 -149535.4958 299.5366 -183833.9066 -149434.3435 298.7381 -89.9684 -58.5416 558176.2195 7.1553 7.0862 PRESSURE: 3485800 22.8648 143.455 -22.9608 143.455 -7.53822 -58.3797 -22.9606 -58.3798 152.235 GPRESSURE: 3485800 26.5417 68.9358 32.3696 215.465 79.551 2.95624 -37.2901 -93.1373 156.328 PRESSAVG: 3485800 -38.0476 3.76561 11.023 3.76552 40.9379 -17.4815 11.023 -17.4815 -42.9496 GPRESSAVG: 3485800 -39.4974 6.28908 10.7645 2.56053 41.2364 -14.923 12.4808 -18.008 -41.2794 TIMING: 3485800 CPU: 10103, 0.00287802/step Wall: 10103, 0.00287802/step, 1.21053 hours remaining, 211.835938 MB of memory in use. ENERGY: 3485800 722.2211 2093.6907 1946.5735 113.7070 -206452.0268 17954.3110 0.0000 0.0000 34138.3459 -149483.1775 298.1387 -183621.5234 -149390.6468 298.8763 55.8538 87.4735 557700.2085 -13.3531 -13.1801 PRESSURE: 3486000 27.6312 -81.3455 63.9876 -81.3443 222.367 36.7777 63.9877 36.7778 -59.5509 GPRESSURE: 3486000 111.468 -128.107 45.9928 -61.1808 208.086 16.0472 103.705 -1.61187 -22.9626 PRESSAVG: 3486000 -24.3499 -20.4079 31.5547 -20.4078 45.6704 -15.1874 31.5549 -15.1874 -37.9561 GPRESSAVG: 3486000 -22.275 -22.4489 29.3809 -19.6929 44.7533 -14.7468 33.0725 -16.6274 -39.0758 TIMING: 3486000 CPU: 10103.6, 0.00289447/step Wall: 10103.6, 0.00289447/step, 1.21729 hours remaining, 211.835938 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: 3486000 728.5675 2145.4577 1951.2306 109.4411 -206366.1248 17749.7397 0.0000 0.0000 34252.3265 -149429.3618 299.1341 -183681.6883 -149338.3858 298.6615 63.4824 98.8637 556584.1656 -5.5452 -5.5325 PRESSURE: 3486200 -182.077 -20.6635 -90.5948 -20.6632 -114.45 95.1816 -90.5943 95.1802 -235.173 GPRESSURE: 3486200 -127.528 11.3612 -122.053 18.1428 -73.3525 102.083 -14.276 125.14 -227.458 PRESSAVG: 3486200 -28.2783 -29.5557 3.56302 -29.5557 52.6029 1.80664 3.56303 1.80665 -27.0958 GPRESSAVG: 3486200 -28.9613 -28.9134 7.89925 -30.0135 52.1224 0.826327 -0.380171 2.97663 -26.6334 TIMING: 3486200 CPU: 10104.1, 0.00290181/step Wall: 10104.1, 0.00290181/step, 1.22021 hours remaining, 211.835938 MB of memory in use. ENERGY: 3486200 739.0313 2031.7661 1950.0129 116.8003 -206281.8541 17647.8699 0.0000 0.0000 34447.7179 -149348.6557 300.8405 -183796.3736 -149249.5650 299.8091 -177.2332 -142.7795 557655.7279 -0.9237 -1.1574 PRESSURE: 3486400 -87.9858 16.073 -64.0153 16.0739 80.9311 103.78 -64.0149 103.782 32.7089 GPRESSURE: 3486400 -79.4685 61.5815 -30.9592 -11.5712 28.5551 113.114 -52.8049 169.801 165.277 PRESSAVG: 3486400 -70.2368 21.3785 -70.0766 21.3786 80.9335 24.3333 -70.0765 24.3333 -53.7145 GPRESSAVG: 3486400 -70.8872 21.6012 -73.3734 22.5289 81.2339 24.695 -67.3535 24.1245 -53.8886 TIMING: 3486400 CPU: 10104.7, 0.00289719/step Wall: 10104.7, 0.00289719/step, 1.21811 hours remaining, 211.835938 MB of memory in use. ENERGY: 3486400 739.4255 2095.6154 1948.4347 102.9963 -206634.7939 17932.6346 0.0000 0.0000 34331.2090 -149484.4783 299.8230 -183815.6873 -149394.3959 299.3478 8.5514 38.1213 556821.4533 -14.3393 -14.5140 PRESSURE: 3486600 26.8125 89.1764 -42.4359 89.1759 -69.7359 -145.375 -42.4354 -145.376 109.26 GPRESSURE: 3486600 72.8764 14.359 -147.088 45.8422 -88.6445 -128.198 -15.6492 -152.452 173.48 PRESSAVG: 3486600 -16.3387 52.1054 -13.2815 52.1055 -7.48661 7.52308 -13.2815 7.52313 43.5522 GPRESSAVG: 3486600 -16.8476 51.116 -12.2986 51.4992 -8.34793 7.30853 -13.4605 7.18698 44.7685 TIMING: 3486600 CPU: 10105.3, 0.00289696/step Wall: 10105.3, 0.00289696/step, 1.21785 hours remaining, 212.093750 MB of memory in use. ENERGY: 3486600 709.5157 2065.3024 1919.3212 112.5974 -206139.5818 17753.6148 0.0000 0.0000 34117.1876 -149462.0425 297.9539 -183579.2302 -149364.9003 298.7011 22.1124 52.5707 557524.3045 6.5756 6.5243 PRESSURE: 3486800 -35.9929 0.377651 49.4535 0.376679 -78.481 65.5096 49.4542 65.5115 -141.42 GPRESSURE: 3486800 -22.9303 -7.78515 -11.8131 -6.46708 -91.5804 26.2154 67.596 33.2092 -48.0273 PRESSAVG: 3486800 40.9704 49.001 -12.9477 49.0011 -54.7666 35.9257 -12.9476 35.9256 14.9803 GPRESSAVG: 3486800 41.0205 49.8614 -11.9752 49.6295 -53.901 34.7698 -13.7708 36.8075 14.0426 TIMING: 3486800 CPU: 10105.9, 0.00290364/step Wall: 10105.9, 0.00290364/step, 1.2205 hours remaining, 212.093750 MB of memory in use. ENERGY: 3486800 735.3942 2034.2765 1957.3118 132.8924 -206507.1611 17923.7670 0.0000 0.0000 34229.4744 -149494.0449 298.9345 -183723.5193 -149397.6448 298.3811 -85.2980 -54.1793 558176.5198 0.3947 0.3874 PRESSURE: 3487000 -169.109 -100.902 -67.7912 -100.903 -231.429 35.8935 -67.7909 35.894 -309.076 GPRESSURE: 3487000 -140.362 -29.2446 -72.6647 -107.383 -168.825 49.3075 -9.86907 106.58 -302.706 PRESSAVG: 3487000 27.6677 -34.1977 -37.8482 -34.1978 39.3853 10.7003 -37.8481 10.7004 -48.76 GPRESSAVG: 3487000 28.29 -33.9524 -37.2007 -36.1384 39.8056 11.5315 -36.1572 10.3888 -50.3101 TIMING: 3487000 CPU: 10106.5, 0.00292178/step Wall: 10106.5, 0.00292178/step, 1.22796 hours remaining, 212.093750 MB of memory in use. ENERGY: 3487000 776.8129 2064.2752 1944.7626 114.2325 -206098.1130 17616.4276 0.0000 0.0000 34196.2334 -149385.3689 298.6442 -183581.6023 -149285.3366 299.0188 -236.5381 -203.9644 558574.2785 6.0977 5.9285 PRESSURE: 3487200 282.469 -33.6347 -47.7149 -33.6342 314.231 208.015 -47.7147 208.016 164.609 GPRESSURE: 3487200 347.512 -40.3333 -25.1697 2.13214 287.802 209.426 -27.2326 176.016 204.247 PRESSAVG: 3487200 -9.13776 5.04226 17.867 5.04232 -5.92055 42.8321 17.867 42.8321 13.7494 GPRESSAVG: 3487200 -9.64548 5.35963 15.0679 4.59398 -6.70495 44.7777 15.697 41.0495 14.8846 TIMING: 3487200 CPU: 10107.1, 0.00290258/step Wall: 10107.1, 0.00290258/step, 1.21973 hours remaining, 212.093750 MB of memory in use. ENERGY: 3487200 736.2976 2038.2919 1944.4236 105.7458 -206614.4847 18142.1573 0.0000 0.0000 34411.9940 -149235.5744 300.5285 -183647.5684 -149131.6035 298.8222 253.7696 279.8537 557066.3395 -0.4363 -0.4886 PRESSURE: 3487400 -431.262 43.6501 81.0274 43.6509 -33.5604 -48.0379 81.0266 -48.0405 -54.5357 GPRESSURE: 3487400 -319.249 18.3089 99.7367 69.9061 -24.6758 -68.4806 153.534 -84.2318 -76.187 PRESSAVG: 3487400 35.1285 -19.0186 -5.25357 -19.0186 -21.9648 30.2489 -5.25357 30.2491 -4.0697 GPRESSAVG: 3487400 35.2472 -18.2458 -2.49404 -19.1101 -21.9257 29.4413 -4.64341 31.9952 -4.11886 TIMING: 3487400 CPU: 10107.6, 0.00289519/step Wall: 10107.6, 0.00289519/step, 1.21646 hours remaining, 212.093750 MB of memory in use. ENERGY: 3487400 754.4610 2038.4968 1959.3338 123.5809 -205409.7226 17460.3344 0.0000 0.0000 34063.9501 -149009.5656 297.4889 -183073.5157 -148912.1642 298.8353 -173.1194 -140.0373 558528.7011 3.0313 3.0675 PRESSURE: 3487600 313.534 138.028 -54.3175 138.028 47.1014 95.1923 -54.3194 95.1909 -7.52458 GPRESSURE: 3487600 342.529 126.553 -71.8489 139.31 65.4788 191.361 -119.219 82.7615 48.4578 PRESSAVG: 3487600 -55.537 70.2169 -20.2131 70.2168 17.2573 17.1516 -20.213 17.1515 1.67612 GPRESSAVG: 3487600 -54.753 66.3436 -22.2424 74.4051 17.6042 15.8409 -20.7299 13.5618 0.83544 TIMING: 3487600 CPU: 10108.2, 0.00288561/step Wall: 10108.2, 0.00288561/step, 1.21228 hours remaining, 212.105469 MB of memory in use. ENERGY: 3487600 735.3114 2076.2133 1939.5115 109.4624 -206062.7261 17915.9738 0.0000 0.0000 34234.4995 -149051.7542 298.9784 -183286.2537 -148961.1804 299.7112 117.7037 152.1552 558468.9980 -12.2012 -12.1044 PRESSURE: 3487800 -305.188 -77.4432 -137.662 -77.4437 -151.926 115.468 -137.661 115.467 -89.6666 GPRESSURE: 3487800 -285.883 -113.818 -128.37 -107.417 -150.19 122.496 -51.1753 90.1234 -5.64697 PRESSAVG: 3487800 -19.3204 -6.54073 -10.5987 -6.54066 2.54759 -2.64683 -10.5987 -2.64686 1.29378 GPRESSAVG: 3487800 -19.2819 -4.14984 -10.9745 -9.51857 3.064 -2.90736 -8.7038 0.745409 0.910333 TIMING: 3487800 CPU: 10108.8, 0.00287723/step Wall: 10108.8, 0.00287723/step, 1.2086 hours remaining, 212.105469 MB of memory in use. ENERGY: 3487800 722.4233 2040.3344 1942.2791 102.4581 -205698.1648 17313.9461 0.0000 0.0000 34414.5683 -149162.1555 300.5510 -183576.7238 -149062.5428 300.0768 -182.2603 -147.2399 558561.3175 -5.1597 -5.1025 PRESSURE: 3488000 -226.198 -76.2275 -70.038 -76.2275 66.1983 62.81 -70.0378 62.8108 -202.236 GPRESSURE: 3488000 -191.236 -5.07785 -51.5583 -119.572 82.176 8.3819 -70.405 181.543 -149.856 PRESSAVG: 3488000 4.42686 -26.8102 -18.0723 -26.8102 1.78948 -8.7314 -18.0723 -8.73141 -11.3758 GPRESSAVG: 3488000 3.40239 -27.4384 -15.3841 -23.814 1.64976 -9.39976 -20.8108 -8.76957 -10.198 TIMING: 3488000 CPU: 10109.4, 0.002905/step Wall: 10109.4, 0.002905/step, 1.2201 hours remaining, 212.105469 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: 3488000 767.2958 2086.9543 1961.5677 123.7750 -206013.5424 17640.6215 0.0000 0.0000 34153.4278 -149279.9004 298.2704 -183433.3281 -149178.7205 299.3859 -120.7452 -86.3054 558466.6546 -1.7198 -1.7153 PRESSURE: 3488200 185.263 166.849 11.6141 166.848 -21.4419 17.5064 11.614 17.5058 139.213 GPRESSURE: 3488200 279.698 252.014 -42.4881 175.307 -37.7677 9.4075 50.3591 27.1478 147.548 PRESSAVG: 3488200 38.0852 -38.6489 4.45512 -38.6489 -7.52121 -29.8993 4.45501 -29.8992 19.1753 GPRESSAVG: 3488200 38.5828 -36.228 4.19066 -41.4255 -8.3398 -30.6734 4.83008 -29.4151 18.8328 TIMING: 3488200 CPU: 10109.9, 0.00288602/step Wall: 10109.9, 0.00288602/step, 1.21197 hours remaining, 212.105469 MB of memory in use. ENERGY: 3488200 747.3827 2076.0828 1949.9007 107.6968 -206131.4443 17813.6410 0.0000 0.0000 34132.1345 -149304.6058 298.0844 -183436.7403 -149211.8620 299.5219 101.0112 129.8260 555257.7924 16.5798 16.3586 LDB: ============= START OF LOAD BALANCING ============== 10113.3 LDB: ============== END OF LOAD BALANCING =============== 10113.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10113.3 LDB: ============= START OF LOAD BALANCING ============== 10113.6 LDB: Largest compute 4792 load 0.029065 is 24.6% of average load 0.118029 LDB: Average compute 0.001722 is 1.5% of average load 0.118029 LDB: TIME 10113.6 LOAD: AVG 0.118029 MAX 0.179315 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 10113.6 LOAD: AVG 0.118029 MAX 0.179315 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 10113.6 LOAD: AVG 0.118029 MAX 0.179315 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10113.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10113.6 PRESSURE: 3488400 88.4108 157.768 -79.4774 157.768 -118.606 -91.2729 -79.4776 -91.2716 -177.767 GPRESSURE: 3488400 96.5922 161.217 -139.154 89.3342 -44.5636 -98.121 -77.5226 -78.6641 -156.002 PRESSAVG: 3488400 25.9679 33.5075 -35.5131 33.5075 -9.23368 16.6428 -35.5131 16.6428 -35.8799 GPRESSAVG: 3488400 24.1241 33.0955 -37.0817 33.0925 -6.81797 18.6202 -34.903 14.1426 -36.1418 TIMING: 3488400 CPU: 10110.5, 0.00296317/step Wall: 10110.5, 0.00296317/step, 1.2442 hours remaining, 211.121094 MB of memory in use. ENERGY: 3488400 747.4801 2108.4437 1947.1030 126.9939 -206076.0382 17608.7893 0.0000 0.0000 34154.8107 -149382.4175 298.2825 -183537.2282 -149288.4309 299.0467 -69.3209 -34.6576 558039.0050 -6.3819 -6.2786 PRESSURE: 3488600 93.4161 -66.6267 75.4483 -66.6266 267.775 13.1733 75.4476 13.1739 22.7577 GPRESSURE: 3488600 147.542 -122.294 55.5055 -52.2237 257.125 -18.8128 44.9963 -50.3771 78.5589 PRESSAVG: 3488600 -24.7126 -47.8586 5.21622 -47.8588 -2.9115 5.8908 5.21613 5.89075 2.0142 GPRESSAVG: 3488600 -22.6605 -47.9563 5.93393 -46.556 -6.59549 3.61166 5.42526 6.64777 3.8763 TIMING: 3488600 CPU: 10111.1, 0.00289603/step Wall: 10111.1, 0.00289603/step, 1.21585 hours remaining, 211.121094 MB of memory in use. ENERGY: 3488600 761.4719 2045.4530 1943.8218 122.3249 -206374.7117 18001.7179 0.0000 0.0000 34292.5809 -149207.3414 299.4856 -183499.9224 -149107.0581 299.5704 127.9830 161.0751 555741.9444 -8.5366 -8.4599 PRESSURE: 3488800 72.1685 -30.5052 -87.01 -30.5041 88.6107 -21.6613 -87.01 -21.6605 7.46526 GPRESSURE: 3488800 126.745 17.5062 -111.171 -34.0759 126.137 -11.1488 -97.8977 -37.6733 0.0862527 PRESSAVG: 3488800 11.73 -16.8156 2.36909 -16.8157 30.3799 7.15603 2.3691 7.156 -5.76902 GPRESSAVG: 3488800 10.3137 -17.3593 1.22652 -16.5205 32.0792 8.40755 2.38069 7.5149 -6.64234 TIMING: 3488800 CPU: 10111.7, 0.0029135/step Wall: 10111.7, 0.0029135/step, 1.22302 hours remaining, 211.121094 MB of memory in use. ENERGY: 3488800 741.8479 2047.6413 1963.8200 113.1002 -206357.6639 17984.1295 0.0000 0.0000 34426.9346 -149080.1905 300.6590 -183507.1250 -148986.5543 300.0640 56.0815 84.3227 556127.6289 12.1136 11.9169 PRESSURE: 3489000 72.2806 28.6487 -111.678 28.6496 -451.585 -11.3778 -111.679 -11.3771 -68.1225 GPRESSURE: 3489000 70.9765 91.3917 -108.794 -11.6142 -348.252 40.8549 -84.1567 -16.2108 -71.0591 PRESSAVG: 3489000 3.14489 -47.3633 -20.2926 -47.3633 60.9848 8.04327 -20.2926 8.0433 -19.4209 GPRESSAVG: 3489000 4.84616 -47.736 -20.4694 -47.836 60.143 10.0606 -18.0126 7.91112 -20.232 TIMING: 3489000 CPU: 10112.3, 0.00288568/step Wall: 10112.3, 0.00288568/step, 1.21119 hours remaining, 211.121094 MB of memory in use. ENERGY: 3489000 724.5212 2105.4882 1938.3331 105.9197 -205689.0700 17483.4097 0.0000 0.0000 34259.9218 -149071.4762 299.2004 -183331.3979 -148981.4117 299.4403 -149.1424 -116.1116 557232.3471 14.9029 14.9191 PRESSURE: 3489200 -150.79 37.5607 -105.978 37.5605 -25.675 -183.225 -105.977 -183.224 -249.692 GPRESSURE: 3489200 -118.986 -20.9796 -158.046 82.7056 9.83812 -186.229 -68.785 -194.089 -213.257 PRESSAVG: 3489200 -28.782 -5.10679 -9.28062 -5.10677 -32.2376 -9.52734 -9.28061 -9.52715 47.4441 GPRESSAVG: 3489200 -28.903 -7.36969 -8.4595 -5.91377 -31.8367 -13.111 -13.5696 -9.55245 47.1814 TIMING: 3489200 CPU: 10112.9, 0.00291047/step Wall: 10112.9, 0.00291047/step, 1.22143 hours remaining, 211.121094 MB of memory in use. ENERGY: 3489200 787.7165 2052.3608 1956.1153 119.3666 -205703.3657 17524.4784 0.0000 0.0000 34173.8004 -149089.5276 298.4483 -183263.3280 -148985.5211 299.6528 -142.0525 -107.4683 556840.7000 -4.5251 -4.5194 PRESSURE: 3489400 52.4743 -41.8969 52.6058 -41.8959 -228.073 -5.32375 52.6045 -5.32605 -311.273 GPRESSURE: 3489400 133.126 -27.6971 55.5582 -79.2671 -228.25 24.669 -27.0625 -73.705 -278.453 PRESSAVG: 3489400 19.3665 2.03705 -33.7799 2.03711 27.1861 -52.1052 -33.78 -52.1051 3.24124 GPRESSAVG: 3489400 19.1306 3.32644 -33.0954 3.24305 26.6225 -49.8655 -30.0924 -51.7259 3.9821 TIMING: 3489400 CPU: 10113.4, 0.00289103/step Wall: 10113.4, 0.00289103/step, 1.21311 hours remaining, 211.121094 MB of memory in use. ENERGY: 3489400 747.5586 2109.8208 1941.5145 126.7896 -206058.3681 17676.2088 0.0000 0.0000 34263.8836 -149192.5922 299.2350 -183456.4758 -149102.5227 299.9816 -162.2904 -124.5253 557242.1700 16.5979 16.5784 PRESSURE: 3489600 26.8079 -17.451 -15.9736 -17.4506 -104.278 -68.5085 -15.9743 -68.5094 -49.9465 GPRESSURE: 3489600 62.1227 -43.6836 -86.9886 18.6937 -75.1979 -42.6719 -13.0071 -156.673 -28.1036 PRESSAVG: 3489600 0.885278 11.1557 42.9439 11.1558 -46.6775 -32.1204 42.944 -32.1204 29.7001 GPRESSAVG: 3489600 -0.162827 11.6774 41.2384 11.5767 -45.5001 -34.3892 41.8527 -30.0748 29.3404 TIMING: 3489600 CPU: 10114, 0.00287114/step Wall: 10114, 0.00287114/step, 1.2046 hours remaining, 211.121094 MB of memory in use. ENERGY: 3489600 788.4348 2075.8299 1939.0178 109.7832 -206279.8129 18005.5636 0.0000 0.0000 34056.7029 -149304.4807 297.4257 -183361.1836 -149204.2291 298.8116 -42.4721 -13.7263 558782.9900 -5.3640 -5.4409 PRESSURE: 3489800 -72.5765 -51.0944 -62.6067 -51.0937 -392.558 20.1355 -62.6077 20.1359 194.528 GPRESSURE: 3489800 -53.1274 -25.2089 -63.4775 -117.423 -340.113 108.543 5.74196 -100.697 222.965 PRESSAVG: 3489800 7.76011 -21.181 -41.598 -21.181 -138.155 16.2488 -41.598 16.2488 149.088 GPRESSAVG: 3489800 8.80668 -21.3156 -41.0667 -21.8001 -138.399 17.8275 -42.3252 12.9656 148.362 TIMING: 3489800 CPU: 10114.6, 0.00290788/step Wall: 10114.6, 0.00290788/step, 1.21986 hours remaining, 211.121094 MB of memory in use. ENERGY: 3489800 744.1433 2074.0895 1956.7693 117.2211 -206163.2247 17652.5353 0.0000 0.0000 34265.5513 -149352.9149 299.2496 -183618.4662 -149254.0707 298.8556 -90.2020 -56.7585 558348.0596 6.2310 6.2568 PRESSURE: 3490000 45.873 -83.8734 10.3236 -83.8726 248.647 -161.622 10.3246 -161.624 187.927 GPRESSURE: 3490000 58.6523 -143.081 -44.7873 -49.4082 268.778 -123.927 17.4828 -201.991 248.763 PRESSAVG: 3490000 -46.3618 21.4063 46.0478 21.4063 -50.8196 26.4735 46.0479 26.4736 168.82 GPRESSAVG: 3490000 -47.1068 23.1802 47.5053 20.7437 -52.2555 26.5729 45.4082 27.7994 170.804 TIMING: 3490000 CPU: 10115.2, 0.00288847/step Wall: 10115.2, 0.00288847/step, 1.21155 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3490000 728.9058 2106.9725 1935.2432 95.8277 -206415.1269 18085.2760 0.0000 0.0000 34075.9618 -149386.9399 297.5938 -183462.9018 -149289.4849 298.6169 160.8154 192.0644 556360.2076 23.8794 23.8141 PRESSURE: 3490200 241.511 9.9017 -54.3629 9.90018 -59.4312 -57.5883 -54.3631 -57.5883 59.4125 GPRESSURE: 3490200 288.3 3.66752 -70.6789 17.3972 -83.117 24.7727 -83.7686 -39.1453 144.059 PRESSAVG: 3490200 18.3335 46.9912 16.9044 46.9911 -84.8854 3.29542 16.9045 3.29556 42.7579 GPRESSAVG: 3490200 17.9389 46.594 15.8123 45.987 -83.0463 3.27576 16.9538 3.69629 40.9571 TIMING: 3490200 CPU: 10115.7, 0.00289616/step Wall: 10115.7, 0.00289616/step, 1.21462 hours remaining, 211.121094 MB of memory in use. ENERGY: 3490200 746.1959 2096.6603 1921.6544 120.1823 -206068.2050 17802.5562 0.0000 0.0000 34118.5634 -149262.3924 297.9659 -183380.9558 -149165.3748 298.6801 80.4975 116.4140 558651.5428 -7.9313 -8.0501 PRESSURE: 3490400 -272.893 -55.8121 108.476 -55.8105 84.4424 -132.673 108.478 -132.673 -42.3641 GPRESSURE: 3490400 -256.963 -2.15194 85.8573 -69.5736 130.708 -141.936 82.6404 -63.8256 4.74812 PRESSAVG: 3490400 -51.2968 -6.19573 -3.2457 -6.19568 4.91858 -6.21468 -3.24567 -6.21462 -2.11435 GPRESSAVG: 3490400 -50.9661 -8.551 -4.54835 -3.27753 3.20047 -8.48037 -3.16568 -4.77702 -1.31774 TIMING: 3490400 CPU: 10116.3, 0.00289524/step Wall: 10116.3, 0.00289524/step, 1.21407 hours remaining, 211.121094 MB of memory in use. ENERGY: 3490400 750.4561 2099.0172 1940.7683 107.6439 -206269.9757 17652.1141 0.0000 0.0000 34382.1981 -149337.7780 300.2683 -183719.9762 -149239.5476 298.8484 -76.9383 -40.5021 558976.6681 -16.1642 -16.3611 PRESSURE: 3490600 67.5475 -198.17 -66.7141 -198.17 167.036 183.564 -66.7148 183.562 213.005 GPRESSURE: 3490600 84.2226 -215.343 -17.2081 -87.2048 206.217 87.1606 -96.6747 250.056 255.095 PRESSAVG: 3490600 -41.7145 -37.6085 39.7127 -37.6086 -18.6678 18.9222 39.7127 18.9221 94.3605 GPRESSAVG: 3490600 -42.2698 -34.877 41.0195 -40.9814 -17.9463 19.5829 39.8421 19.5162 94.1663 TIMING: 3490600 CPU: 10116.9, 0.00289809/step Wall: 10116.9, 0.00289809/step, 1.2151 hours remaining, 211.121094 MB of memory in use. ENERGY: 3490600 708.3219 2106.9207 1960.9692 116.6372 -206400.4637 18067.4392 0.0000 0.0000 34257.3132 -149182.8623 299.1776 -183440.1756 -149079.5201 299.1814 149.1964 181.8447 557381.8080 11.3261 11.3167 PRESSURE: 3490800 65.713 -168.424 163.897 -168.425 125.172 47.1235 163.895 47.125 135.798 GPRESSURE: 3490800 140.962 -60.0953 177.249 -140.846 172.29 18.9697 149.644 48.0151 106.383 PRESSAVG: 3490800 51.1885 -40.5519 41.1529 -40.5519 -45.6849 -44.9178 41.1528 -44.9175 -9.19812 GPRESSAVG: 3490800 51.1582 -40.5447 40.8865 -38.1807 -45.9381 -44.5455 42.0824 -48.2448 -8.54424 TIMING: 3490800 CPU: 10117.5, 0.00288216/step Wall: 10117.5, 0.00288216/step, 1.20827 hours remaining, 211.121094 MB of memory in use. ENERGY: 3490800 739.5740 2103.9169 1960.0087 116.6957 -206333.5221 17946.7394 0.0000 0.0000 34396.2703 -149070.3169 300.3912 -183466.5872 -148978.7842 299.7688 108.8943 139.8785 557481.2661 -1.2315 -1.1080 PRESSURE: 3491000 159.556 137.029 -69.9274 137.028 -5.20138 -66.2779 -69.9272 -66.2773 -23.672 GPRESSURE: 3491000 206.617 91.3428 -17.6109 69.2468 57.6607 -45.6784 1.85492 -12.7061 -32.8982 PRESSAVG: 3491000 -29.3869 -96.7619 2.84889 -96.7619 -13.945 4.0409 2.84894 4.04101 27.8661 GPRESSAVG: 3491000 -29.708 -97.0518 2.14622 -97.9782 -13.4759 4.28455 3.47214 4.64832 27.7795 TIMING: 3491000 CPU: 10118.1, 0.00289298/step Wall: 10118.1, 0.00289298/step, 1.21264 hours remaining, 211.121094 MB of memory in use. ENERGY: 3491000 733.9409 2108.1572 1937.8632 124.9141 -205978.0359 17907.9780 0.0000 0.0000 34193.5847 -148971.5978 298.6211 -183165.1825 -148877.7734 300.1729 43.5607 77.1263 558860.0125 -5.1553 -5.1348 PRESSURE: 3491200 -330.885 43.2563 86.8732 43.2566 -282.057 -113.038 86.8736 -113.039 -55.5187 GPRESSURE: 3491200 -309.102 87.9185 48.0926 52.3002 -212.542 -140.386 193.303 -57.058 -46.4504 PRESSAVG: 3491200 -76.9921 -32.5692 -16.3739 -32.5693 46.8803 -10.0502 -16.374 -10.0501 15.8932 GPRESSAVG: 3491200 -76.4583 -35.7251 -14.6989 -30.1698 46.1524 -10.229 -16.8594 -8.85056 15.3663 TIMING: 3491200 CPU: 10118.6, 0.00288823/step Wall: 10118.6, 0.00288823/step, 1.21049 hours remaining, 211.121094 MB of memory in use. ENERGY: 3491200 739.3209 2107.8607 1949.9270 117.2030 -205638.5827 17521.2034 0.0000 0.0000 34147.1765 -149055.8913 298.2158 -183203.0677 -148963.8326 299.7727 -222.8200 -189.3649 559257.0280 -4.7396 -4.9799 PRESSURE: 3491400 -129.826 3.28539 -51.1107 3.28574 38.32 61.2021 -51.1111 61.1994 -20.4599 GPRESSURE: 3491400 -128.958 -15.7932 -16.3681 52.9669 62.4078 47.4019 -131.882 62.8274 63.411 PRESSAVG: 3491400 -28.07 -31.5393 -3.4355 -31.5392 36.1495 0.709519 -3.4355 0.709577 -41.3448 GPRESSAVG: 3491400 -28.0941 -27.5417 -3.09346 -32.7214 37.3622 2.15538 -2.87738 -1.28128 -42.6035 TIMING: 3491400 CPU: 10119.2, 0.00287614/step Wall: 10119.2, 0.00287614/step, 1.20526 hours remaining, 211.121094 MB of memory in use. ENERGY: 3491400 802.3565 2117.1725 1969.2426 119.9783 -206319.5158 17945.7062 0.0000 0.0000 34250.8550 -149114.2047 299.1212 -183365.0597 -149020.4916 299.6701 -37.3219 -1.0463 557834.1741 -11.0884 -11.1118 PRESSURE: 3491600 21.6891 279.145 -98.9039 279.146 7.06264 18.3803 -98.9045 18.3799 -71.54 GPRESSURE: 3491600 59.6502 292.489 -121.543 315.572 27.331 -46.76 -84.3633 26.2485 -21.1601 PRESSAVG: 3491600 -5.36147 15.7209 6.34212 15.7209 82.218 -0.970614 6.34206 -0.970704 -67.7556 GPRESSAVG: 3491600 -6.76862 13.3895 6.6354 16.8298 80.8415 -4.36994 4.6352 -0.158902 -65.8067 TIMING: 3491600 CPU: 10119.8, 0.0028888/step Wall: 10119.8, 0.0028888/step, 1.21041 hours remaining, 211.121094 MB of memory in use. ENERGY: 3491600 741.5536 2149.0284 1955.1362 122.5223 -206648.0711 18022.5572 0.0000 0.0000 34533.5103 -149123.7630 301.5897 -183657.2734 -149022.7797 299.3731 -14.2627 21.9404 558626.5334 3.0337 2.7554 PRESSURE: 3491800 51.9697 39.533 -14.6225 39.5319 -164.578 72.9145 -14.6212 72.9134 -186.67 GPRESSURE: 3491800 67.8443 20.9449 -13.8724 -9.1036 -142.284 -20.2223 -4.81617 27.3542 -126.665 PRESSAVG: 3491800 27.8769 -19.1135 -24.9186 -19.1134 -6.28161 -19.5078 -24.9186 -19.5079 -13.6187 GPRESSAVG: 3491800 27.2716 -17.8997 -26.303 -20.4416 -5.86278 -15.4247 -23.8545 -20.6155 -13.3431 TIMING: 3491800 CPU: 10120.4, 0.00291955/step Wall: 10120.4, 0.00291955/step, 1.22313 hours remaining, 211.121094 MB of memory in use. ENERGY: 3491800 775.5345 2120.2357 1963.8759 109.7989 -206216.2634 17800.7994 0.0000 0.0000 34514.8277 -148931.1913 301.4266 -183446.0190 -148834.0303 300.4069 -99.7595 -67.0347 558656.3601 2.6589 2.6886 PRESSURE: 3492000 68.5506 -116.38 68.5464 -116.381 228.967 -6.28186 68.5463 -6.2808 454.221 GPRESSURE: 3492000 96.4169 -17.8102 73.4105 -118.736 265.447 20.8194 72.29 63.0311 474.685 PRESSAVG: 3492000 5.90951 -48.9467 19.8389 -48.9467 -68.5933 29.3758 19.8388 29.3758 43.7454 GPRESSAVG: 3492000 6.35803 -48.5412 20.4913 -48.7262 -67.6705 27.5629 16.7944 31.5121 42.8812 TIMING: 3492000 CPU: 10121, 0.00289591/step Wall: 10121, 0.00289591/step, 1.21307 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3492000 752.2138 2127.9554 1953.9106 104.5858 -206446.9597 18209.3113 0.0000 0.0000 34334.0090 -148964.9738 299.8474 -183298.9828 -148871.2120 300.2562 250.5795 278.8494 556321.5548 -6.3128 -6.1437 PRESSURE: 3492200 -79.3571 -110.549 -223.639 -110.549 -56.7735 -54.5975 -223.638 -54.5981 -99.2584 GPRESSURE: 3492200 -64.4836 -63.036 -159.957 1.67207 -19.988 -78.6409 -162.917 -45.1137 -58.4499 PRESSAVG: 3492200 3.4539 5.17294 -13.5142 5.17292 40.736 9.59061 -13.5143 9.59069 -17.9004 GPRESSAVG: 3492200 3.53462 3.35269 -12.0278 5.64556 40.2426 10.0718 -12.3297 9.41865 -17.7196 TIMING: 3492200 CPU: 10121.5, 0.00289202/step Wall: 10121.5, 0.00289202/step, 1.21127 hours remaining, 211.121094 MB of memory in use. ENERGY: 3492200 745.7662 2151.5236 1933.6415 117.0823 -205487.5633 17420.0269 0.0000 0.0000 34356.0960 -148763.4267 300.0403 -183119.5227 -148672.6736 299.8279 -78.4630 -47.6405 557837.5868 8.7632 8.6859 LDB: ============= START OF LOAD BALANCING ============== 10124.9 LDB: ============== END OF LOAD BALANCING =============== 10124.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10124.9 LDB: ============= START OF LOAD BALANCING ============== 10125.2 LDB: Largest compute 4792 load 0.029055 is 24.6% of average load 0.117979 LDB: Average compute 0.001732 is 1.5% of average load 0.117979 LDB: TIME 10125.2 LOAD: AVG 0.117979 MAX 0.179216 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.609 MB LDB: TIME 10125.2 LOAD: AVG 0.117979 MAX 0.179216 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: TIME 10125.2 LOAD: AVG 0.117979 MAX 0.179216 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10125.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10125.2 PRESSURE: 3492400 254.509 -44.4818 101.77 -44.4818 -137.771 40.9474 101.769 40.949 82.3104 GPRESSURE: 3492400 320.69 -96.2651 82.3724 -65.638 -169.236 -22.4426 56.6445 139.342 161.106 PRESSAVG: 3492400 -32.2715 13.4419 39.8338 13.4419 58.9675 -6.21892 39.8339 -6.21898 -0.634968 GPRESSAVG: 3492400 -31.4023 15.3568 35.3738 11.9376 57.5194 -6.16445 40.0531 -6.0863 0.00151366 TIMING: 3492400 CPU: 10122.1, 0.00293097/step Wall: 10122.1, 0.00293097/step, 1.22742 hours remaining, 212.152344 MB of memory in use. ENERGY: 3492400 737.4319 2049.6241 1948.0925 124.5591 -205688.0027 17707.7249 0.0000 0.0000 34428.1017 -148692.4686 300.6692 -183120.5703 -148586.8799 300.4295 66.3495 104.1867 557194.0674 8.6870 8.7062 PRESSURE: 3492600 140.172 -64.3218 -98.5838 -64.3216 284.231 -41.517 -98.5842 -41.5162 53.7006 GPRESSURE: 3492600 193.091 -42.1623 -37.2723 11.1735 365.649 -83.7617 -89.7658 -11.6308 30.4235 PRESSAVG: 3492600 -60.6952 -2.02803 37.8046 -2.02795 36.2313 -43.7427 37.8047 -43.7426 -22.1175 GPRESSAVG: 3492600 -60.8632 -2.24162 41.0202 -1.82872 37.6269 -42.6305 39.6711 -44.8155 -23.4333 TIMING: 3492600 CPU: 10122.7, 0.002898/step Wall: 10122.7, 0.002898/step, 1.21346 hours remaining, 212.222656 MB of memory in use. ENERGY: 3492600 778.9156 2102.0260 1951.1133 113.6685 -206141.1074 18096.6740 0.0000 0.0000 34344.2401 -148754.4699 299.9368 -183098.7100 -148656.0247 301.0843 159.3681 196.3877 557353.7755 -15.5272 -15.5565 PRESSURE: 3492800 48.2558 21.2725 99.7345 21.2727 118.762 79.0089 99.7352 79.0081 -70.8984 GPRESSURE: 3492800 31.3354 19.6189 34.4391 48.7036 195.268 -4.15377 134.71 1.9066 -30.0902 PRESSAVG: 3492800 -19.0307 36.0673 52.9943 36.0673 36.1187 23.3298 52.9941 23.3299 8.46591 GPRESSAVG: 3492800 -19.1402 34.466 50.9344 37.7918 35.3038 22.179 53.6151 23.3418 9.83683 TIMING: 3492800 CPU: 10123.3, 0.00290308/step Wall: 10123.3, 0.00290308/step, 1.21542 hours remaining, 212.222656 MB of memory in use. ENERGY: 3492800 733.8814 2115.8271 1977.2337 114.8945 -205852.1685 17779.7891 0.0000 0.0000 34145.0946 -148985.4482 298.1976 -183130.5427 -148894.1979 300.3617 32.0399 65.5044 556982.9764 8.5180 8.6668 PRESSURE: 3493000 -119.636 -112.841 128.82 -112.841 -86.0265 -68.9098 128.82 -68.9108 -13.4367 GPRESSURE: 3493000 -52.7498 -142.22 133.903 -55.2841 -113.27 -58.8418 175.536 -128.434 49.6914 PRESSAVG: 3493000 -3.28679 -9.73808 67.5995 -9.73808 34.9492 -31.8686 67.5994 -31.8686 -23.4437 GPRESSAVG: 3493000 -2.54334 -7.59138 68.6605 -11.6722 35.2602 -30.8389 65.9262 -31.555 -24.1805 TIMING: 3493000 CPU: 10123.9, 0.00286797/step Wall: 10123.9, 0.00286797/step, 1.20057 hours remaining, 212.222656 MB of memory in use. ENERGY: 3493000 753.7285 2085.3287 1941.2800 111.6620 -205777.4121 17601.0693 0.0000 0.0000 34340.0770 -148944.2666 299.9004 -183284.3436 -148847.4826 300.2978 -73.0332 -38.7761 557792.0589 2.7396 2.8455 PRESSURE: 3493200 -107.536 -43.2529 -100.02 -43.2515 93.4853 114.736 -100.019 114.736 315.837 GPRESSURE: 3493200 -78.4351 -44.4118 -17.8236 61.781 148.76 112.317 -110.819 124.327 335.909 PRESSAVG: 3493200 -30.5282 -37.4346 46.9932 -37.4346 18.3627 26.1862 46.9932 26.1862 28.9497 GPRESSAVG: 3493200 -31.3106 -39.1545 46.0264 -37.8985 19.0731 25.3914 47.0672 28.027 28.9059 TIMING: 3493200 CPU: 10124.4, 0.00288901/step Wall: 10124.4, 0.00288901/step, 1.20921 hours remaining, 212.222656 MB of memory in use. ENERGY: 3493200 757.4649 2146.7780 1935.3419 117.9962 -205859.9997 17713.2221 0.0000 0.0000 34435.4410 -148753.7555 300.7333 -183189.1966 -148654.2723 300.2315 100.5954 135.4112 557666.3083 5.5947 5.5561 PRESSURE: 3493400 -133.445 -12.6468 105.244 -12.648 -400.874 95.1502 105.244 95.1503 134.482 GPRESSURE: 3493400 -94.9503 -21.0526 124.168 2.09349 -334.54 140.521 93.9908 125.224 122.735 PRESSAVG: 3493400 85.4253 20.2465 -33.6064 20.2464 3.73817 33.1696 -33.6064 33.1697 -46.2843 GPRESSAVG: 3493400 83.6303 20.8218 -33.3043 21.9445 3.53983 34.9019 -32.5867 30.3844 -44.814 TIMING: 3493400 CPU: 10125, 0.00290129/step Wall: 10125, 0.00290129/step, 1.21419 hours remaining, 212.222656 MB of memory in use. ENERGY: 3493400 745.0239 2124.5058 1943.6602 121.0177 -205376.2354 17379.6967 0.0000 0.0000 34221.6820 -148840.6492 298.8665 -183062.3311 -148741.5231 299.8986 -133.2792 -102.2516 558004.6314 14.2930 14.1187 PRESSURE: 3493600 91.9929 28.2999 25.874 28.2998 -30.8259 247.937 25.8753 247.937 -0.899725 GPRESSURE: 3493600 189.837 114.509 70.8793 25.3268 -15.3026 159.148 -53.2441 327.407 -11.2847 PRESSAVG: 3493600 49.6076 43.3264 -38.7706 43.3264 -75.2302 -1.07962 -38.7706 -1.0796 -1.90812 GPRESSAVG: 3493600 51.8745 42.7111 -36.5482 42.2976 -74.9592 -1.19934 -38.8345 -1.35818 -4.36936 TIMING: 3493600 CPU: 10125.6, 0.00287701/step Wall: 10125.6, 0.00287701/step, 1.20387 hours remaining, 212.222656 MB of memory in use. ENERGY: 3493600 731.3327 2148.1835 1943.4067 100.9833 -205764.0260 17671.7001 0.0000 0.0000 34237.8659 -148930.5538 299.0078 -183168.4197 -148840.3848 299.8483 20.0891 54.4165 558259.5002 -9.1769 -9.1514 PRESSURE: 3493800 -220.764 121.112 159.971 121.111 -274.697 45.881 159.972 45.881 -197.957 GPRESSURE: 3493800 -155.807 109.889 241.901 163.729 -248.982 4.64967 182.987 101.46 -197.913 PRESSAVG: 3493800 47.3106 65.6587 -55.3456 65.6587 -22.5037 23.7323 -55.3456 23.7322 25.8447 GPRESSAVG: 3493800 46.5868 66.9172 -55.5767 65.5712 -22.6469 21.7333 -55.6958 24.6027 26.6117 TIMING: 3493800 CPU: 10126.2, 0.00287191/step Wall: 10126.2, 0.00287191/step, 1.20158 hours remaining, 212.222656 MB of memory in use. ENERGY: 3493800 720.4914 2178.8637 1909.8745 110.7558 -205704.2879 17511.6603 0.0000 0.0000 34243.4565 -149029.1857 299.0566 -183272.6422 -148930.8753 299.8935 -231.1396 -200.9003 558136.5748 16.8839 16.8505 PRESSURE: 3494000 -103.483 13.3987 71.9965 13.3978 -83.2254 -226.591 71.9949 -226.59 -39.5049 GPRESSURE: 3494000 -56.8663 -9.91009 89.4923 46.5051 -10.1423 -215.388 99.2712 -175.136 -57.894 PRESSAVG: 3494000 3.58939 48.187 2.16134 48.187 -8.69228 3.76785 2.16131 3.76784 -33.3535 GPRESSAVG: 3494000 2.44906 46.5032 1.21007 49.5208 -8.0735 1.47487 0.486901 6.56364 -33.1578 TIMING: 3494000 CPU: 10126.7, 0.00291165/step Wall: 10126.7, 0.00291165/step, 1.21804 hours remaining, 212.222656 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: 3494000 746.7585 2094.9206 1939.0793 106.5085 -205830.2587 17696.7779 0.0000 0.0000 34204.5157 -149041.6982 298.7165 -183246.2139 -148943.3445 299.4093 -75.4044 -41.6342 558759.5056 -12.8188 -12.9274 PRESSURE: 3494200 261.985 108.975 72.3445 108.976 -6.84464 245.991 72.3443 245.99 130.35 GPRESSURE: 3494200 274.238 112.85 -33.0975 57.2932 46.957 251.553 81.0643 274.579 161.952 PRESSAVG: 3494200 34.2714 2.54525 15.8066 2.54534 5.70879 29.9745 15.8066 29.9745 -21.244 GPRESSAVG: 3494200 35.6958 3.12698 15.9436 0.311025 5.48203 32.0622 16.8099 27.7671 -22.3101 TIMING: 3494200 CPU: 10127.3, 0.00289373/step Wall: 10127.3, 0.00289373/step, 1.21038 hours remaining, 212.222656 MB of memory in use. ENERGY: 3494200 739.8127 2137.8712 1933.2468 119.8961 -206345.1042 18085.2078 0.0000 0.0000 34510.7649 -148818.3046 301.3911 -183329.0695 -148720.1231 299.9561 128.4970 161.0490 557811.4250 6.2454 6.2893 PRESSURE: 3494400 -144.821 27.503 7.79249 27.5023 41.2578 27.3002 7.79299 27.3014 -279.995 GPRESSURE: 3494400 -97.0233 48.0507 64.9924 -62.9147 42.3618 61.9324 -61.9824 75.6332 -231.028 PRESSAVG: 3494400 20.0888 14.4287 -8.69689 14.4286 -78.8051 19.1572 -8.69696 19.1574 64.6436 GPRESSAVG: 3494400 18.9789 15.281 -8.96418 15.9814 -78.9532 19.0931 -7.71383 19.6414 66.2293 TIMING: 3494400 CPU: 10127.9, 0.00288902/step Wall: 10127.9, 0.00288902/step, 1.20825 hours remaining, 212.222656 MB of memory in use. ENERGY: 3494400 733.9706 2134.8197 1939.1432 103.1240 -206098.1850 17764.4119 0.0000 0.0000 34440.6414 -148982.0742 300.7787 -183422.7155 -148892.0675 300.2267 -127.8527 -95.2297 559489.3350 1.9757 2.0850 PRESSURE: 3494600 -15.6718 -48.4996 144.204 -48.4991 23.6246 36.7869 144.204 36.7883 141.203 GPRESSURE: 3494600 18.3544 -15.9094 191.69 -77.1871 47.0468 55.8733 51.4616 61.1686 169.522 PRESSAVG: 3494600 2.05016 25.7366 -21.1047 25.7367 15.2326 12.8366 -21.1047 12.8366 -39.208 GPRESSAVG: 3494600 2.31763 25.1701 -20.6752 26.6081 15.1549 12.9776 -22.109 13.4515 -39.5268 TIMING: 3494600 CPU: 10128.5, 0.00288341/step Wall: 10128.5, 0.00288341/step, 1.20574 hours remaining, 212.222656 MB of memory in use. ENERGY: 3494600 754.2524 2150.1422 1952.3808 104.1353 -206343.2961 17951.2489 0.0000 0.0000 34266.8653 -149164.2712 299.2611 -183431.1365 -149066.8915 299.8369 49.7187 78.3078 557482.8612 -7.3084 -7.3514 PRESSURE: 3494800 -173.098 93.6938 -126.238 93.6936 89.7263 89.1307 -126.237 89.1306 -164.208 GPRESSURE: 3494800 -190.318 177.385 -120.621 -33.1723 130.66 87.111 -231.03 56.9774 -82.7132 PRESSAVG: 3494800 16.9079 32.4759 -17.3701 32.4758 17.3121 -41.483 -17.3701 -41.483 -21.8495 GPRESSAVG: 3494800 17.0416 31.0473 -17.0289 31.761 16.9825 -40.4929 -16.8883 -44.9398 -22.2312 TIMING: 3494800 CPU: 10129.1, 0.0028821/step Wall: 10129.1, 0.0028821/step, 1.20504 hours remaining, 212.222656 MB of memory in use. ENERGY: 3494800 750.3268 2081.8795 1946.3376 115.7707 -205972.8476 17715.4521 0.0000 0.0000 34237.7236 -149125.3572 299.0066 -183363.0808 -149026.4362 299.7353 -82.5266 -47.4569 557932.3245 4.1235 3.9310 PRESSURE: 3495000 101.509 -44.0622 -45.8387 -44.0614 103.635 17.3059 -45.8398 17.3045 -2.37247 GPRESSURE: 3495000 142.226 -64.2848 3.91984 -17.2229 132.055 4.85246 -106.894 114.583 36.585 PRESSAVG: 3495000 13.9754 -36.2636 -5.64495 -36.2637 -39.4708 -1.52141 -5.64501 -1.52145 10.302 GPRESSAVG: 3495000 13.9364 -36.5327 -5.54324 -34.787 -41.2042 -1.99831 -5.92924 1.90925 12.0097 TIMING: 3495000 CPU: 10129.6, 0.00289908/step Wall: 10129.6, 0.00289908/step, 1.21198 hours remaining, 212.222656 MB of memory in use. ENERGY: 3495000 739.9889 2054.4989 1933.8626 125.3707 -205966.1015 17979.9252 0.0000 0.0000 34079.6598 -149052.7954 297.6261 -183132.4552 -148959.0497 299.0543 67.5904 103.6220 557108.4036 -5.0645 -5.0860 PRESSURE: 3495200 -264.546 144.802 -43.0232 144.803 -80.6565 27.4196 -43.0237 27.4195 -186.421 GPRESSURE: 3495200 -189.572 158.843 12.2238 167.121 -82.2518 -57.7964 -95.5226 132.41 -153.976 PRESSAVG: 3495200 -19.0209 18.5147 -6.00022 18.5147 19.7898 -15.0155 -6.00028 -15.0154 -9.34138 GPRESSAVG: 3495200 -19.6564 20.5676 -7.85332 16.3244 20.1282 -15.8203 -5.07074 -14.1889 -9.55437 TIMING: 3495200 CPU: 10130.2, 0.00289858/step Wall: 10130.2, 0.00289858/step, 1.2116 hours remaining, 212.222656 MB of memory in use. ENERGY: 3495200 717.2575 2090.1408 1955.6089 109.1069 -205766.0620 17460.5309 0.0000 0.0000 34259.1511 -149174.2660 299.1937 -183433.4171 -149077.0541 299.2662 -177.2079 -141.9333 560239.8559 -2.8575 -3.0275 PRESSURE: 3495400 -86.9692 177.358 83.2017 177.357 -112.894 27.8369 83.2011 27.8354 -288.318 GPRESSURE: 3495400 -22.9697 81.8564 64.4685 224.869 -104.893 62.0562 76.2194 27.4846 -268.492 PRESSAVG: 3495400 -37.9976 64.9342 -47.6269 64.9343 -11.3301 -33.2631 -47.6268 -33.2629 42.6871 GPRESSAVG: 3495400 -38.4195 65.2054 -46.1555 65.3339 -10.1942 -32.3167 -49.0052 -32.9945 42.1403 TIMING: 3495400 CPU: 10130.8, 0.00288747/step Wall: 10130.8, 0.00288747/step, 1.2068 hours remaining, 212.222656 MB of memory in use. ENERGY: 3495400 756.5283 2115.7357 1970.7040 117.4228 -206361.0741 17930.1653 0.0000 0.0000 34332.8366 -149137.6814 299.8372 -183470.5180 -149036.3767 299.4831 -162.7269 -132.1184 560436.8362 -2.2135 -2.1578 PRESSURE: 3495600 -108.47 -35.3152 66.4336 -35.3161 15.7345 -58.1426 66.4339 -58.142 68.409 GPRESSURE: 3495600 -4.70903 19.8943 2.60605 -66.2033 31.1986 -54.5223 78.1083 -75.916 41.5598 PRESSAVG: 3495600 -54.1275 -2.1913 9.03266 -2.19132 42.9552 -42.1696 9.03271 -42.1698 27.1747 GPRESSAVG: 3495600 -53.4768 -2.08307 9.58388 -2.81255 42.0321 -41.0913 9.77801 -42.28 27.5728 TIMING: 3495600 CPU: 10131.4, 0.00289546/step Wall: 10131.4, 0.00289546/step, 1.20998 hours remaining, 212.222656 MB of memory in use. ENERGY: 3495600 761.6713 2078.8435 1965.8126 108.0121 -206212.7793 17807.3757 0.0000 0.0000 34357.5436 -149133.5205 300.0530 -183491.0641 -149040.3398 299.8278 -8.1087 22.6831 558018.9219 5.3341 5.3760 PRESSURE: 3495800 18.4375 -222.484 -17.784 -222.483 -168.906 182.291 -17.7848 182.292 102.674 GPRESSURE: 3495800 26.711 -112.101 -15.9128 -213.225 -144.224 105.115 -36.6839 194.841 175.337 PRESSAVG: 3495800 -30.3033 -27.3973 -18.1794 -27.3974 29.3343 12.6035 -18.1794 12.6035 12.4571 GPRESSAVG: 3495800 -31.8357 -28.2961 -20.2187 -25.0417 29.8263 11.3159 -17.3157 11.7007 13.5593 TIMING: 3495800 CPU: 10131.9, 0.0028913/step Wall: 10131.9, 0.0028913/step, 1.20808 hours remaining, 212.222656 MB of memory in use. ENERGY: 3495800 738.3739 2078.6829 1962.6823 107.6608 -206111.9489 17802.2982 0.0000 0.0000 34354.2869 -149067.9638 300.0245 -183422.2508 -148962.9020 299.3052 -15.9315 19.2747 559811.5841 3.8294 3.8500 PRESSURE: 3496000 31.047 -40.0827 -52.3176 -40.0831 51.1411 -78.6428 -52.3165 -78.6442 54.9399 GPRESSURE: 3496000 96.5721 -96.2835 -80.455 -58.6696 105.975 62.9217 46.7211 -180.544 34.5876 PRESSAVG: 3496000 -22.3288 -1.33354 -1.9536 -1.33363 -5.10254 -34.3465 -1.95352 -34.3466 57.0358 GPRESSAVG: 3496000 -20.7623 -2.82356 -0.410723 -3.91399 -5.53078 -35.2602 -2.80232 -33.4512 55.32 TIMING: 3496000 CPU: 10132.5, 0.00288594/step Wall: 10132.5, 0.00288594/step, 1.20568 hours remaining, 212.222656 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: 3496000 745.1185 2040.1335 1962.5199 112.4932 -206178.4480 17977.3236 0.0000 0.0000 34203.2325 -149137.6267 298.7053 -183340.8592 -149042.7467 299.2866 45.7094 79.0448 558224.0258 9.8682 9.6756 PRESSURE: 3496200 -17.034 -5.13751 -29.4503 -5.13607 -196.673 6.49249 -29.4503 6.49279 -339.289 GPRESSURE: 3496200 32.3516 -36.3172 87.518 8.19428 -168.17 -11.6301 -100.604 94.3787 -325.036 PRESSAVG: 3496200 -17.5187 15.2198 16.3816 15.2198 -24.5549 -32.3092 16.3816 -32.3092 54.5118 GPRESSAVG: 3496200 -18.4697 17.2314 16.3922 16.6816 -23.4679 -30.5083 17.0674 -31.959 54.3425 TIMING: 3496200 CPU: 10133.1, 0.0028712/step Wall: 10133.1, 0.0028712/step, 1.19936 hours remaining, 212.222656 MB of memory in use. ENERGY: 3496200 755.3523 2107.7752 1927.5680 97.3946 -205684.8357 17565.0084 0.0000 0.0000 34049.2674 -149182.4697 297.3607 -183231.7371 -149092.2258 299.0575 -184.3321 -153.6181 557588.2832 4.1460 4.1349 LDB: ============= START OF LOAD BALANCING ============== 10136.5 LDB: ============== END OF LOAD BALANCING =============== 10136.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10136.5 LDB: ============= START OF LOAD BALANCING ============== 10136.8 LDB: Largest compute 4792 load 0.029051 is 24.6% of average load 0.117988 LDB: Average compute 0.001723 is 1.5% of average load 0.117988 LDB: TIME 10136.8 LOAD: AVG 0.117988 MAX 0.181312 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.797 MB LDB: TIME 10136.8 LOAD: AVG 0.117988 MAX 0.181312 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.996 MB LDB: TIME 10136.8 LOAD: AVG 0.117988 MAX 0.181312 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.996 MB LDB: ============== END OF LOAD BALANCING =============== 10136.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10136.8 PRESSURE: 3496400 -76.5688 -18.0355 96.5739 -18.0357 231.441 -139.696 96.5741 -139.696 -41.4685 GPRESSURE: 3496400 -16.6733 -16.4201 26.2185 -42.1624 211.387 -84.1909 217.067 -175.419 21.697 PRESSAVG: 3496400 -9.96948 18.8627 9.69923 18.8627 6.09032 -19.6719 9.69914 -19.6718 -4.29654 GPRESSAVG: 3496400 -8.64261 19.1337 10.2325 16.9729 4.35286 -20.6996 8.67611 -21.2761 -3.96964 TIMING: 3496400 CPU: 10133.7, 0.00294352/step Wall: 10133.7, 0.00294352/step, 1.22941 hours remaining, 210.285156 MB of memory in use. ENERGY: 3496400 769.8214 2126.3604 1971.9032 98.4272 -206173.4305 17886.3551 0.0000 0.0000 34150.8570 -149169.7062 298.2479 -183320.5632 -149073.7277 299.2530 37.8011 72.1369 557919.4497 -2.7252 -2.7531 PRESSURE: 3496600 87.6096 155.824 88.3261 155.824 -3.28681 -58.244 88.3262 -58.2417 96.734 GPRESSURE: 3496600 142.915 225.005 37.5895 72.4685 33.434 32.5448 79.9246 -211.216 115.42 PRESSAVG: 3496600 -35.0495 -44.9204 6.80252 -44.9204 63.278 -3.91316 6.80255 -3.91313 54.0053 GPRESSAVG: 3496600 -34.1914 -46.1591 6.41273 -43.8041 63.6254 -5.42886 6.83938 -4.24226 53.1913 TIMING: 3496600 CPU: 10134.3, 0.00291379/step Wall: 10134.3, 0.00291379/step, 1.21683 hours remaining, 210.484375 MB of memory in use. ENERGY: 3496600 776.4877 2112.1786 1952.8459 117.2055 -206387.4593 17967.5932 0.0000 0.0000 34322.1322 -149139.0162 299.7437 -183461.1484 -149043.1649 299.8181 60.3523 97.2564 558722.8192 27.4113 27.5418 PRESSURE: 3496800 35.2737 -1.95019 -62.6435 -1.9497 -67.8028 46.1902 -62.6446 46.19 -381.745 GPRESSURE: 3496800 27.2091 -71.1056 -79.3176 63.667 -32.8721 37.3342 25.0659 4.22654 -323.605 PRESSAVG: 3496800 -16.0299 6.08514 60.6945 6.08505 -5.67843 1.49429 60.6946 1.4943 3.45938 GPRESSAVG: 3496800 -16.8789 7.91373 60.4748 6.84804 -5.41878 3.27071 60.1581 2.94996 3.84797 TIMING: 3496800 CPU: 10134.8, 0.00286429/step Wall: 10134.8, 0.00286429/step, 1.196 hours remaining, 210.484375 MB of memory in use. ENERGY: 3496800 767.0330 2087.5989 1943.7229 116.1351 -205981.7413 17639.7491 0.0000 0.0000 34209.3655 -149218.1367 298.7589 -183427.5022 -149118.6779 299.4313 -138.0914 -109.7561 558468.1981 -6.0830 -6.1499 PRESSURE: 3497000 -385.924 -86.429 184.582 -86.4296 -332.407 35.4529 184.582 35.4532 -390.575 GPRESSURE: 3497000 -350.769 -102.602 191.671 -47.0982 -350.98 74.7626 339.607 -42.1177 -313.213 PRESSAVG: 3497000 -33.8222 0.649583 22.574 0.649433 -2.78917 -27.3109 22.574 -27.3108 34.6421 GPRESSAVG: 3497000 -34.6296 -1.33348 21.3021 2.83865 -2.42539 -27.7979 25.0174 -28.1562 34.9294 TIMING: 3497000 CPU: 10135.4, 0.0028798/step Wall: 10135.4, 0.0028798/step, 1.20232 hours remaining, 210.484375 MB of memory in use. ENERGY: 3497000 743.6088 2086.0283 1927.0508 112.7938 -205546.5101 17245.5112 0.0000 0.0000 34171.4400 -149260.0773 298.4277 -183431.5172 -149169.4001 298.7062 -369.6353 -338.3208 558719.0542 -0.6564 -0.7085 PRESSURE: 3497200 194.672 -94.5733 -36.7866 -94.5748 -248.323 -10.7378 -36.7861 -10.7385 -289.084 GPRESSURE: 3497200 149.13 -47.6109 -27.4926 -91.3287 -186.639 30.7419 -51.1246 -69.7354 -215.977 PRESSAVG: 3497200 95.5295 -23.4735 15.1541 -23.4735 -42.2738 11.1347 15.1541 11.1348 -7.57741 GPRESSAVG: 3497200 95.7657 -23.5687 17.4204 -25.3563 -41.6085 12.0787 12.6141 11.8019 -8.04912 TIMING: 3497200 CPU: 10136, 0.0028686/step Wall: 10136, 0.0028686/step, 1.19748 hours remaining, 210.484375 MB of memory in use. ENERGY: 3497200 752.1790 2084.8426 1967.3680 121.6750 -206243.6433 17606.1279 0.0000 0.0000 34139.6617 -149571.7890 298.1502 -183711.4507 -149479.5066 298.4279 -114.2452 -84.4956 556381.5002 15.2261 15.3694 PRESSURE: 3497400 -246.317 142.287 -130.193 142.287 38.3994 -29.3453 -130.192 -29.3454 -194.106 GPRESSURE: 3497400 -222.463 158.756 -60.0853 59.2509 18.458 88.8536 -124.872 -70.5974 -114.963 PRESSAVG: 3497400 59.5119 -6.65452 -23.2369 -6.65453 20.0192 3.68874 -23.2369 3.68866 -38.7469 GPRESSAVG: 3497400 59.7517 -2.82094 -22.342 -9.86032 19.8969 1.48282 -23.057 3.86023 -38.6668 TIMING: 3497400 CPU: 10136.6, 0.00287279/step Wall: 10136.6, 0.00287279/step, 1.19907 hours remaining, 210.484375 MB of memory in use. ENERGY: 3497400 752.8494 2122.9392 1941.2177 120.4859 -206349.3695 17703.2406 0.0000 0.0000 34197.3820 -149511.2548 298.6542 -183708.6368 -149411.6618 299.2542 -134.0078 -106.3228 557246.4291 13.5947 13.6606 PRESSURE: 3497600 50.5107 -57.8101 -99.1546 -57.8102 -246.344 -180.858 -99.1534 -180.859 78.5827 GPRESSURE: 3497600 155.049 -17.2874 -70.02 -66.9421 -257.933 -218.325 -148.029 -180.816 86.438 PRESSAVG: 3497600 56.3239 11.0554 7.16856 11.0554 -17.0631 17.1206 7.1686 17.1207 -54.223 GPRESSAVG: 3497600 56.586 8.09839 6.25401 13.0062 -16.8485 20.6127 7.38743 14.3702 -54.581 TIMING: 3497600 CPU: 10137.1, 0.00286921/step Wall: 10137.1, 0.00286921/step, 1.19742 hours remaining, 210.484375 MB of memory in use. ENERGY: 3497600 733.6845 2104.3118 1918.8811 107.7022 -206414.1186 17760.8718 0.0000 0.0000 34334.6552 -149454.0121 299.8531 -183788.6673 -149362.6016 299.0262 -39.0834 -5.4819 556437.4865 -4.9874 -4.9478 PRESSURE: 3497800 114.478 -25.4534 141.399 -25.454 -75.8598 -5.88409 141.397 -5.88416 -106.092 GPRESSURE: 3497800 112.326 24.2449 91.0628 -52.8358 -71.6837 -65.4636 149.684 14.9295 -2.55035 PRESSAVG: 3497800 35.6841 -9.94554 14.1976 -9.94549 15.721 -48.0979 14.1976 -48.0979 -13.2899 GPRESSAVG: 3497800 35.6815 -9.95397 13.5927 -8.0829 14.9906 -53.147 15.3802 -46.3836 -12.3293 TIMING: 3497800 CPU: 10137.7, 0.00286425/step Wall: 10137.7, 0.00286425/step, 1.19519 hours remaining, 210.484375 MB of memory in use. ENERGY: 3497800 775.6481 2120.3426 1944.6843 120.7305 -206509.1224 17864.0831 0.0000 0.0000 34263.6622 -149419.9717 299.2331 -183683.6339 -149333.5854 298.8854 -22.4912 12.6974 556552.0850 12.7051 12.7809 PRESSURE: 3498000 -87.0187 20.6405 -58.9486 20.639 -179.267 76.7873 -58.9487 76.7869 -211.987 GPRESSURE: 3498000 -49.2255 -73.4093 -26.9699 5.92942 -171.884 35.8444 -29.0782 107.99 -152.365 PRESSAVG: 3498000 -16.5618 7.88865 -14.2076 7.88858 62.3946 29.3386 -14.2077 29.3385 6.85219 GPRESSAVG: 3498000 -16.5422 8.06245 -16.0887 4.70493 62.4939 30.7892 -11.9505 30.8303 6.50154 TIMING: 3498000 CPU: 10138.3, 0.00286608/step Wall: 10138.3, 0.00286608/step, 1.19579 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3498000 765.7133 2104.0973 1943.4597 105.1452 -206124.1897 17636.3049 0.0000 0.0000 34222.9943 -149346.4750 298.8779 -183569.4693 -149254.9209 299.0140 -159.4240 -124.4914 557135.6886 17.5617 17.4844 PRESSURE: 3498200 124.341 44.8634 -36.6176 44.863 -107.326 64.3013 -36.6163 64.3028 187.918 GPRESSURE: 3498200 131.757 105.405 -18.8532 17.1955 -62.851 117.098 -35.9626 65.9498 223.309 PRESSAVG: 3498200 -24.9489 36.2324 26.092 36.2324 -58.5739 16.6667 26.0921 16.6666 20.6386 GPRESSAVG: 3498200 -25.0392 37.7886 27.1696 36.9382 -59.2582 15.85 23.2194 16.1631 21.1041 TIMING: 3498200 CPU: 10138.9, 0.00285356/step Wall: 10138.9, 0.00285356/step, 1.19041 hours remaining, 210.484375 MB of memory in use. ENERGY: 3498200 709.6047 2106.9950 1972.5986 111.6863 -206046.0805 17763.1671 0.0000 0.0000 34210.9663 -149171.0625 298.7729 -183382.0287 -149077.0193 299.0049 68.3112 97.4051 556855.1277 -20.9614 -21.0644 PRESSURE: 3498400 1.19824 67.8763 -87.1243 67.8759 -37.6775 -136.213 -87.124 -136.212 -158.497 GPRESSURE: 3498400 84.4657 15.6761 -81.5569 61.8742 -23.69 -147.225 -71.9916 -41.5723 -160.103 PRESSAVG: 3498400 82.2121 45.0175 24.842 45.0175 -81.4988 53.4614 24.842 53.4614 -3.70989 GPRESSAVG: 3498400 81.2468 44.6589 24.2507 46.3426 -81.2899 55.3172 25.0065 51.9082 -2.55828 TIMING: 3498400 CPU: 10139.4, 0.00286279/step Wall: 10139.4, 0.00286279/step, 1.1941 hours remaining, 210.484375 MB of memory in use. ENERGY: 3498400 787.6010 2092.1271 1947.8809 113.5187 -206412.6899 17979.4960 0.0000 0.0000 34216.2539 -149275.8123 298.8191 -183492.0662 -149179.2914 299.9052 -64.9920 -33.1091 557229.1983 -0.9989 -0.8671 PRESSURE: 3498600 -111.105 43.1585 -27.7872 43.1586 148.949 0.139071 -27.788 0.141174 -263.137 GPRESSURE: 3498600 -32.6865 95.8734 -66.269 52.3615 149.066 31.5754 94.1118 -1.28656 -251.875 PRESSAVG: 3498600 11.5365 113.091 -29.5316 113.091 63.5966 -14.6461 -29.5316 -14.6462 -55.7247 GPRESSAVG: 3498600 13.1628 113.365 -27.3519 112.617 63.4321 -15.8252 -30.3764 -13.8977 -56.9374 TIMING: 3498600 CPU: 10140, 0.00286428/step Wall: 10140, 0.00286428/step, 1.19457 hours remaining, 210.484375 MB of memory in use. ENERGY: 3498600 739.4514 2070.0047 1943.0731 118.4247 -206489.1430 17901.3753 0.0000 0.0000 34381.8437 -149334.9701 300.2652 -183716.8138 -149241.2590 299.1801 -75.0976 -45.1650 558854.1229 6.4695 6.5525 PRESSURE: 3498800 -56.0062 -254.087 -7.24544 -254.086 -241.179 104.206 -7.24441 104.204 -222.981 GPRESSURE: 3498800 -21.8038 -221.326 36.1577 -267.526 -233.933 66.1344 -85.1526 60.6194 -171.842 PRESSAVG: 3498800 41.0187 -10.0293 26.1463 -10.0294 -22.4323 -13.6826 26.1463 -13.6827 -33.0214 GPRESSAVG: 3498800 40.155 -9.74214 25.9846 -10.9199 -22.2124 -13.1672 25.5579 -14.3484 -32.9408 TIMING: 3498800 CPU: 10140.6, 0.00287422/step Wall: 10140.6, 0.00287422/step, 1.19855 hours remaining, 210.484375 MB of memory in use. ENERGY: 3498800 732.3044 2093.3485 1963.5080 123.2580 -206145.5612 17649.7444 0.0000 0.0000 34280.4350 -149302.9629 299.3796 -183583.3978 -149214.2507 298.6775 -173.3885 -142.5264 556689.7093 -4.8117 -4.9994 PRESSURE: 3499000 24.0168 -3.87966 97.2028 -3.87995 -1.83055 131.103 97.202 131.103 -74.0953 GPRESSURE: 3499000 60.1692 -6.6909 -1.52885 32.9173 50.8688 78.479 103.591 130.347 -74.6106 PRESSAVG: 3499000 39.1214 21.9459 15.8534 21.9458 -7.98855 -23.4508 15.8535 -23.4509 -7.92281 GPRESSAVG: 3499000 39.073 20.8649 12.8125 23.1655 -8.73088 -22.0319 16.3247 -23.867 -7.78472 TIMING: 3499000 CPU: 10141.2, 0.00288476/step Wall: 10141.2, 0.00288476/step, 1.20279 hours remaining, 210.484375 MB of memory in use. ENERGY: 3499000 759.4495 2101.1604 1935.2016 100.0391 -206368.1632 17744.0955 0.0000 0.0000 34341.5277 -149386.6895 299.9131 -183728.2172 -149294.2817 298.4803 -17.3030 12.1425 555802.5733 7.7367 7.5191 PRESSURE: 3499200 96.3115 143.86 55.4468 143.861 -336.528 -18.3391 55.4471 -18.3391 179.818 GPRESSURE: 3499200 63.7483 62.1993 -14.081 178.859 -209.818 -56.0128 77.5654 -108.751 177.3 PRESSAVG: 3499200 41.3267 11.4663 38.45 11.4663 -18.3041 57.7439 38.4501 57.7438 -29.2506 GPRESSAVG: 3499200 42.4673 11.3604 39.8742 11.4915 -17.8418 57.1219 40.2509 58.68 -30.6179 TIMING: 3499200 CPU: 10141.7, 0.00286631/step Wall: 10141.7, 0.00286631/step, 1.19493 hours remaining, 210.484375 MB of memory in use. ENERGY: 3499200 763.1497 2068.9689 1944.6893 109.1408 -206524.8826 17961.5812 0.0000 0.0000 34317.8659 -149359.4868 299.7065 -183677.3527 -149272.3114 298.7512 -20.1328 10.4100 557458.5672 -2.0760 -1.9975 PRESSURE: 3499400 160.481 -215.591 -124.927 -215.591 -12.2936 -218.258 -124.927 -218.257 -113.76 GPRESSURE: 3499400 217.281 -287.007 -207.54 -179.688 -31.1336 -167.02 -78.4986 -171.248 -63.1449 PRESSAVG: 3499400 27.0932 -12.6916 -10.9953 -12.6916 -40.7383 2.69497 -10.9953 2.69489 28.2529 GPRESSAVG: 3499400 26.6999 -11.2096 -10.7905 -12.9641 -41.0501 2.45617 -13.4521 2.40663 28.6456 TIMING: 3499400 CPU: 10142.3, 0.00286332/step Wall: 10142.3, 0.00286332/step, 1.19353 hours remaining, 210.484375 MB of memory in use. ENERGY: 3499400 718.6620 2056.8478 1978.5389 121.0303 -206497.1420 17878.9604 0.0000 0.0000 34301.4566 -149441.6460 299.5632 -183743.1025 -149343.1379 298.9325 11.4759 41.0009 557883.8199 4.8692 4.7651 PRESSURE: 3499600 -51.3391 68.2625 -82.4435 68.2642 -312.042 132.895 -82.4423 132.896 -224.259 GPRESSURE: 3499600 -27.62 91.0055 -126.169 122.917 -254.712 81.3998 -36.2609 122.434 -203.187 PRESSAVG: 3499600 52.9439 55.1942 -12.2467 55.1942 -15.7303 -27.595 -12.2466 -27.5952 -40.3379 GPRESSAVG: 3499600 52.5365 55.2984 -11.05 56.225 -14.8709 -26.4124 -9.88519 -28.0077 -40.4209 TIMING: 3499600 CPU: 10142.9, 0.00288522/step Wall: 10142.9, 0.00288522/step, 1.2025 hours remaining, 210.484375 MB of memory in use. ENERGY: 3499600 734.5410 2046.1643 1934.4996 104.7437 -206049.4806 17697.0763 0.0000 0.0000 34236.0212 -149296.4345 298.9917 -183532.4557 -149194.9280 298.7852 -195.8800 -161.8400 559373.2084 -1.0414 -0.9185 PRESSURE: 3499800 -60.0129 -67.8164 -30.3915 -67.8157 182.016 31.5256 -30.3909 31.525 16.4188 GPRESSURE: 3499800 -44.6807 23.3052 -10.0981 -92.2638 206.627 52.6364 52.8261 72.6426 80.5135 PRESSAVG: 3499800 45.5141 -2.3877 11.5114 -2.38771 -33.2427 -41.5899 11.5114 -41.5899 16.1391 GPRESSAVG: 3499800 45.974 -4.04114 10.9881 -2.5375 -33.8684 -42.6731 9.92151 -40.8828 16.4982 TIMING: 3499800 CPU: 10143.5, 0.0028843/step Wall: 10143.5, 0.0028843/step, 1.20195 hours remaining, 210.484375 MB of memory in use. ENERGY: 3499800 773.4343 2094.1318 1957.0769 115.6767 -206009.5504 17737.9647 0.0000 0.0000 34212.4243 -149118.8417 298.7856 -183331.2660 -149016.5802 299.1097 46.1406 80.8199 557454.7772 9.4702 9.5346 WRITING COORDINATES TO DCD FILE MD.2.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 -316.146 -111.181 -37.1959 -111.183 -285.487 -159.922 -37.1974 -159.923 105.652 GPRESSURE: 3500000 -236.211 -130.672 10.4464 -123.742 -315.593 -67.0434 -82.0531 -136.168 152.148 PRESSAVG: 3500000 35.8565 28.7041 -55.0933 28.7042 -50.9435 -14.5732 -55.0933 -14.5733 12.567 GPRESSAVG: 3500000 35.5659 29.7267 -54.4017 26.8616 -50.2184 -14.6185 -53.7305 -15.648 11.6272 TIMING: 3500000 CPU: 10144.1, 0.00327593/step Wall: 10144.1, 0.00327593/step, 1.36497 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3500000 759.6036 2085.9163 1937.1610 115.3356 -205912.1550 17656.4341 0.0000 0.0000 34139.8072 -149217.8972 298.1514 -183357.7044 -149124.9609 298.7836 -165.3271 -133.2186 560064.0698 -0.8400 -1.0084 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 PRESSURE: 3500200 -297.523 127.409 -104.775 127.408 -79.2465 -88.296 -104.777 -88.2964 -97.1294 GPRESSURE: 3500200 -234.861 169.941 -95.4899 19.4042 -33.7083 -27.3906 -113.566 -74.0409 -102.418 PRESSAVG: 3500200 -0.492842 12.0269 1.85454 12.0269 -26.0912 -30.4147 1.85455 -30.4147 40.9045 GPRESSAVG: 3500200 0.0366593 11.8578 0.368714 12.4872 -26.8023 -29.8275 2.07635 -28.6293 41.6347 TIMING: 3500200 CPU: 10144.7, 0.00290312/step Wall: 10144.7, 0.00290312/step, 1.20947 hours remaining, 210.484375 MB of memory in use. ENERGY: 3500200 712.7204 2075.2213 1979.2082 114.1414 -205932.1313 17685.5003 0.0000 0.0000 34125.8404 -149239.4994 298.0295 -183365.3398 -149143.1607 298.7379 -157.9661 -123.6625 559755.1046 4.7735 4.9564 LDB: ============= START OF LOAD BALANCING ============== 10148.1 LDB: ============== END OF LOAD BALANCING =============== 10148.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10148.1 LDB: ============= START OF LOAD BALANCING ============== 10148.4 LDB: Largest compute 4792 load 0.029184 is 24.7% of average load 0.117987 LDB: Average compute 0.001722 is 1.5% of average load 0.117987 LDB: TIME 10148.4 LOAD: AVG 0.117987 MAX 0.178944 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.543 MB LDB: TIME 10148.4 LOAD: AVG 0.117987 MAX 0.178944 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.543 MB LDB: TIME 10148.4 LOAD: AVG 0.117987 MAX 0.178944 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.543 MB LDB: ============== END OF LOAD BALANCING =============== 10148.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10148.4 PRESSURE: 3500400 125.487 -166.367 10.1803 -166.367 156.763 -33.3942 10.1815 -33.3936 -123.79 GPRESSURE: 3500400 130.73 -152.212 17.2565 -193.574 200.284 35.3872 38.9664 19.2966 -74.6715 PRESSAVG: 3500400 14.25 17.8286 50.0112 17.8286 -12.5228 -17.1039 50.0112 -17.1039 -25.9894 GPRESSAVG: 3500400 13.2103 17.9801 49.1929 17.648 -11.985 -15.7356 50.2664 -18.8979 -25.2414 TIMING: 3500400 CPU: 10145.3, 0.00293753/step Wall: 10145.3, 0.00293754/step, 1.22365 hours remaining, 209.839844 MB of memory in use. ENERGY: 3500400 737.0243 2048.4966 1953.5754 107.2154 -206007.1428 17846.8750 0.0000 0.0000 34173.2472 -149140.7089 298.4435 -183313.9561 -149043.6915 299.0116 52.8202 85.4473 557965.7492 -8.0874 -8.0054 PRESSURE: 3500600 -184.438 -104.511 -4.50146 -104.51 150.184 -85.3942 -4.50219 -85.3946 -153.142 GPRESSURE: 3500600 -119.186 -52.7316 73.2206 -97.1587 141.134 -67.1141 -11.0508 -122.151 -107.594 PRESSAVG: 3500600 50.2175 -49.7127 27.1975 -49.7128 64.1904 80.3775 27.1976 80.3776 -106.713 GPRESSAVG: 3500600 50.8712 -49.2497 29.372 -50.3351 63.0158 77.1381 28.6181 82.0609 -106.95 TIMING: 3500600 CPU: 10145.9, 0.00288955/step Wall: 10145.9, 0.00288955/step, 1.2035 hours remaining, 209.839844 MB of memory in use. ENERGY: 3500600 750.4328 2087.1253 1950.7422 108.3923 -206052.5276 17745.5407 0.0000 0.0000 34401.6960 -149008.5984 300.4386 -183410.2944 -148908.2156 299.4752 -62.4653 -28.5487 559031.9917 2.5650 2.3124 PRESSURE: 3500800 -340.289 -208.101 -29.4145 -208.1 -309.289 -127.574 -29.4131 -127.573 -31.2402 GPRESSURE: 3500800 -296.647 -222.019 -46.2905 -234.953 -248.725 -116.676 -6.77414 -62.4342 -28.3963 PRESSAVG: 3500800 13.5954 -14.4755 -13.0225 -14.4755 -0.801432 -5.91695 -13.0225 -5.91699 -53.2175 GPRESSAVG: 3500800 12.9709 -16.4038 -13.1592 -13.2152 -0.508697 -3.95196 -13.8352 -7.45322 -52.892 TIMING: 3500800 CPU: 10146.4, 0.00287675/step Wall: 10146.4, 0.00287675/step, 1.198 hours remaining, 209.839844 MB of memory in use. ENERGY: 3500800 759.5226 2080.1434 1950.5417 118.3069 -205909.8073 17603.0566 0.0000 0.0000 34225.7500 -149172.4861 298.9020 -183398.2361 -149074.1525 299.1980 -226.9393 -191.2563 558395.0517 -13.4745 -13.4766 PRESSURE: 3501000 111.41 69.6609 180.49 69.6602 -198.916 -30.4773 180.491 -30.4786 -187.125 GPRESSURE: 3501000 127.71 26.2349 220.913 58.255 -146.297 -35.002 126.475 8.28265 -159.238 PRESSAVG: 3501000 5.1275 25.2169 -23.1082 25.2169 33.5815 20.196 -23.1082 20.196 -33.043 GPRESSAVG: 3501000 5.64599 26.4583 -22.7313 25.4662 33.6817 19.6706 -25.2116 19.4608 -33.4228 TIMING: 3501000 CPU: 10147, 0.00287547/step Wall: 10147, 0.00287547/step, 1.19732 hours remaining, 209.839844 MB of memory in use. ENERGY: 3501000 747.8707 2043.3032 1927.3608 96.4135 -205874.7901 17755.9793 0.0000 0.0000 34160.5196 -149143.3429 298.3323 -183303.8626 -149040.2539 298.9300 -91.5438 -59.2750 558831.3693 1.8887 1.9683 PRESSURE: 3501200 302.032 77.0254 144.97 77.0251 -17.2384 -98.9623 144.969 -98.9619 -147.803 GPRESSURE: 3501200 281.05 76.3656 131.205 160.272 45.9837 -6.23828 82.5631 -33.0771 -76.4188 PRESSAVG: 3501200 31.1439 51.4558 37.9986 51.4557 -7.04649 -25.4671 37.9987 -25.467 -6.69807 GPRESSAVG: 3501200 31.5828 53.0469 38.6731 51.2034 -7.19186 -23.5731 39.11 -27.4022 -6.84964 TIMING: 3501200 CPU: 10147.6, 0.00287563/step Wall: 10147.6, 0.00287563/step, 1.19722 hours remaining, 209.839844 MB of memory in use. ENERGY: 3501200 818.9289 2071.2397 1953.1504 109.3672 -206627.4299 18025.8863 0.0000 0.0000 34388.8042 -149260.0532 300.3260 -183648.8574 -149169.5446 298.6166 45.6637 83.5384 557869.7416 5.7998 5.8471 PRESSURE: 3501400 -154.407 -2.34843 -13.8139 -2.34842 -238.845 104.593 -13.8137 104.591 -69.9048 GPRESSURE: 3501400 -91.3174 24.8945 26.3073 68.0833 -258.695 109.127 -12.7835 34.4729 -15.5666 PRESSAVG: 3501400 3.53871 -43.2144 36.811 -43.2143 -33.7149 -23.467 36.811 -23.467 33.4843 GPRESSAVG: 3501400 3.24412 -44.7188 36.4383 -43.3084 -32.7936 -25.1575 36.1195 -19.9524 33.1983 TIMING: 3501400 CPU: 10148.2, 0.00291137/step Wall: 10148.2, 0.00291137/step, 1.21194 hours remaining, 209.839844 MB of memory in use. ENERGY: 3501400 744.5490 2103.7933 1941.0796 122.1196 -206182.1865 17615.5873 0.0000 0.0000 34226.8699 -149428.1879 298.9118 -183655.0578 -149322.2549 299.7517 -154.3857 -121.8597 557113.5572 1.1027 1.2162 PRESSURE: 3501600 -6.36898 -89.1945 157.396 -89.1942 43.1523 -84.1674 157.396 -84.1672 71.222 GPRESSURE: 3501600 34.2765 -186.733 57.5119 -34.0125 80.5338 -82.9687 212.749 -148.291 103.277 PRESSAVG: 3501600 -19.6851 -102.323 -12.0934 -102.323 -34.0484 14.8546 -12.0933 14.8546 29.1868 GPRESSAVG: 3501600 -20.2371 -103.689 -11.8556 -101.743 -34.6288 14.0344 -11.6395 12.7607 30.0088 TIMING: 3501600 CPU: 10148.7, 0.0029203/step Wall: 10148.7, 0.0029203/step, 1.21549 hours remaining, 209.839844 MB of memory in use. ENERGY: 3501600 758.4612 2084.2615 1930.9817 113.1217 -206399.5689 17977.7479 0.0000 0.0000 34151.6607 -149383.3342 298.2549 -183534.9949 -149276.7271 299.1465 36.0018 72.6958 557228.5906 -8.1823 -8.2857 PRESSURE: 3501800 -42.9207 -204.171 -90.0379 -204.17 32.9091 13.3251 -90.0379 13.3241 -144.523 GPRESSURE: 3501800 32.7672 -91.9322 -141.95 -215.859 29.8417 138.757 -44.9892 9.83295 -118.175 PRESSAVG: 3501800 14.7649 -40.7353 16.5559 -40.7353 -12.2909 65.7345 16.5558 65.7345 12.0611 GPRESSAVG: 3501800 16.0711 -39.5303 16.3216 -40.6691 -13.2139 68.4813 15.967 65.3523 10.7845 TIMING: 3501800 CPU: 10149.3, 0.00289519/step Wall: 10149.3, 0.00289519/step, 1.20488 hours remaining, 209.839844 MB of memory in use. ENERGY: 3501800 731.8131 2098.1677 1951.7838 121.9487 -206413.8459 17924.9832 0.0000 0.0000 34178.2858 -149406.8636 298.4875 -183585.1494 -149310.8327 298.8628 -51.5115 -18.5220 558047.2893 4.8450 4.5472 PRESSURE: 3502000 -180.396 -103.987 78.5577 -103.986 -91.3745 25.9103 78.5568 25.9108 -368.406 GPRESSURE: 3502000 -164.607 -108.462 30.6582 -64.5335 -49.3673 15.082 120.436 17.7127 -318.148 PRESSAVG: 3502000 9.53794 -57.9484 -6.25925 -57.9484 28.6574 24.4392 -6.25924 24.4392 -33.1448 GPRESSAVG: 3502000 8.71796 -56.8418 -7.8413 -58.4318 29.1668 24.1716 -5.60697 25.4703 -33.3922 TIMING: 3502000 CPU: 10149.9, 0.00287012/step Wall: 10149.9, 0.00287012/step, 1.19429 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3502000 768.4226 2041.5914 1977.7082 114.9841 -206070.8121 17599.5309 0.0000 0.0000 34129.8094 -149438.7655 298.0641 -183568.5749 -149344.3209 298.9521 -213.3920 -177.3740 559388.5008 1.6835 1.4975 PRESSURE: 3502200 13.7844 30.8422 -61.1721 30.8441 46.7213 -51.7643 -61.1727 -51.763 -230.572 GPRESSURE: 3502200 32.4825 39.3115 -13.9097 93.9484 81.2979 -63.0751 -14.3484 -31.0179 -181.283 PRESSAVG: 3502200 -75.8972 -57.3159 6.80074 -57.3158 30.2374 16.3305 6.80073 16.3305 -17.2841 GPRESSAVG: 3502200 -76.0993 -59.4191 9.62 -57.3311 31.7777 14.6724 4.91796 16.7066 -17.927 TIMING: 3502200 CPU: 10150.5, 0.00287028/step Wall: 10150.5, 0.00287028/step, 1.1942 hours remaining, 209.839844 MB of memory in use. ENERGY: 3502200 750.9703 2158.3629 1965.4253 122.5480 -206556.8929 17951.2033 0.0000 0.0000 34209.0552 -149399.3279 298.7562 -183608.3831 -149306.9657 298.3954 -56.6888 -22.5008 558544.2812 -20.9813 -20.7495 PRESSURE: 3502400 11.0825 -88.3678 134.427 -88.3667 26.5982 13.3442 134.425 13.3429 14.6096 GPRESSURE: 3502400 61.9307 -64.0411 103.531 -101.479 59.4156 59.321 253.424 75.441 38.0498 PRESSAVG: 3502400 65.8036 35.8461 24.5964 35.846 -36.5037 67.6631 24.5964 67.663 4.88041 GPRESSAVG: 3502400 66.0874 38.0356 25.6384 36.2552 -36.9794 65.3411 25.7294 69.1838 5.21846 TIMING: 3502400 CPU: 10151, 0.00285573/step Wall: 10151, 0.00285573/step, 1.18798 hours remaining, 209.839844 MB of memory in use. ENERGY: 3502400 726.4645 2126.6867 1937.6805 101.2859 -206480.8854 18071.2409 0.0000 0.0000 34284.5803 -149232.9466 299.4158 -183517.5269 -149145.1110 298.6223 17.4301 53.1320 559445.7755 11.3934 11.4422 PRESSURE: 3502600 28.2769 69.169 -68.0774 69.1672 447.093 -84.8978 -68.0776 -84.8972 197.466 GPRESSURE: 3502600 71.1277 19.3513 -2.24532 95.55 424.235 -90.2591 -79.5693 2.19295 273.008 PRESSAVG: 3502600 -27.1563 -6.43358 5.89986 -6.43364 -33.9793 20.3749 5.89986 20.3749 10.8599 GPRESSAVG: 3502600 -26.6509 -5.47245 3.01666 -7.98116 -34.3315 21.9017 4.86496 19.5 10.8119 TIMING: 3502600 CPU: 10151.6, 0.00288235/step Wall: 10151.6, 0.00288235/step, 1.1989 hours remaining, 209.839844 MB of memory in use. ENERGY: 3502600 724.1415 2048.1227 1960.5322 116.3878 -206411.9656 18193.5411 0.0000 0.0000 34308.0070 -149061.2333 299.6204 -183369.2403 -148967.0581 299.1628 224.2784 256.1236 557981.1878 -16.7585 -16.7235 PRESSURE: 3502800 -48.4101 153.02 -60.3624 153.02 -141.217 -192.929 -60.3622 -192.929 123.238 GPRESSURE: 3502800 -20.8814 50.281 14.0236 257.663 -82.9278 -151.451 -125.673 -183.555 139.219 PRESSAVG: 3502800 -40.966 50.9727 -1.98547 50.9728 -32.6984 15.5468 -1.98551 15.5467 86.5256 GPRESSAVG: 3502800 -41.6847 50.6737 -1.16548 52.1697 -33.0245 16.0305 -1.37824 15.0741 87.2679 TIMING: 3502800 CPU: 10152.2, 0.00288793/step Wall: 10152.2, 0.00288793/step, 1.20106 hours remaining, 209.839844 MB of memory in use. ENERGY: 3502800 768.0832 2134.3151 1931.7865 113.8433 -206135.2818 17757.5265 0.0000 0.0000 34321.6987 -149108.0286 299.7399 -183429.7272 -149001.5504 299.8852 -22.1299 11.8033 558004.7340 4.2871 4.1862 PRESSURE: 3503000 -98.6979 154.577 62.1644 154.576 168.369 -32.9829 62.1644 -32.984 145.237 GPRESSURE: 3503000 -13.5041 181.472 79.7609 183.619 188.793 -68.6995 -11.2307 -3.80556 142.633 PRESSAVG: 3503000 -11.2592 65.1829 26.466 65.1829 35.3554 -25.1901 26.466 -25.1901 -18.7331 GPRESSAVG: 3503000 -11.6449 61.8766 25.8431 66.0608 35.6436 -24.8914 26.1869 -23.4955 -18.8979 TIMING: 3503000 CPU: 10152.8, 0.00287698/step Wall: 10152.8, 0.00287698/step, 1.19635 hours remaining, 209.839844 MB of memory in use. ENERGY: 3503000 758.9821 2033.3415 1947.2930 116.7270 -206134.1880 17996.2555 0.0000 0.0000 34133.4894 -149148.0994 298.0963 -183281.5888 -149049.8483 299.1115 71.6360 105.9741 558375.0970 1.7877 1.7003 PRESSURE: 3503200 -142.114 -23.8342 53.4435 -23.8348 32.3676 38.9955 53.4439 38.9938 201.632 GPRESSURE: 3503200 -109.89 24.7211 120.164 -63.3298 98.4757 -12.9737 7.29231 83.5634 199.92 PRESSAVG: 3503200 17.3615 20.6367 14.9252 20.6366 -5.74979 32.8626 14.9252 32.8627 18.2408 GPRESSAVG: 3503200 17.3457 23.937 13.8452 18.9127 -6.06775 34.8328 15.7942 29.9771 18.3319 TIMING: 3503200 CPU: 10153.3, 0.00286736/step Wall: 10153.3, 0.00286736/step, 1.19218 hours remaining, 209.839844 MB of memory in use. ENERGY: 3503200 764.8241 2096.2873 1940.0777 108.2088 -206498.1469 18115.0884 0.0000 0.0000 34344.6454 -149129.0152 299.9403 -183473.6607 -149033.3191 299.2055 30.6286 62.8351 557701.5866 9.9508 9.8699 PRESSURE: 3503400 -167.632 92.1503 214.178 92.1499 -214.965 102.247 214.177 102.246 -161.042 GPRESSURE: 3503400 -99.3427 85.3005 282.109 135.233 -155.633 -5.41838 228.737 234.407 -187.078 PRESSAVG: 3503400 -1.37548 -7.70403 -22.222 -7.70404 -0.525907 -22.3934 -22.2219 -22.3934 -7.26772 GPRESSAVG: 3503400 -1.15382 -8.46185 -21.1916 -7.97851 0.104901 -24.9847 -20.8106 -17.6185 -8.01472 TIMING: 3503400 CPU: 10153.9, 0.00287538/step Wall: 10153.9, 0.00287538/step, 1.19536 hours remaining, 209.839844 MB of memory in use. ENERGY: 3503400 757.5992 2076.1403 1937.0668 106.6172 -205868.6661 17656.1297 0.0000 0.0000 34294.3913 -149040.7216 299.5014 -183335.1129 -148948.1991 299.7665 -181.2130 -147.3514 558884.3306 -3.0564 -3.0212 PRESSURE: 3503600 -15.2521 105.084 -33.0766 105.083 -199.808 11.2849 -33.0762 11.2852 -126.662 GPRESSURE: 3503600 11.7127 22.8368 -78.032 189.678 -130.575 -82.552 -60.0678 21.0007 -123.257 PRESSAVG: 3503600 23.3833 -5.03297 28.645 -5.03295 -7.03257 6.71377 28.645 6.71391 15.4663 GPRESSAVG: 3503600 22.8681 -6.11957 30.4331 -3.53192 -7.00584 6.67022 26.1691 3.94723 15.573 TIMING: 3503600 CPU: 10154.5, 0.00288948/step Wall: 10154.5, 0.00288948/step, 1.20106 hours remaining, 209.839844 MB of memory in use. ENERGY: 3503600 713.3900 2062.7691 1965.2571 114.2493 -206208.7141 17727.3804 0.0000 0.0000 34370.5498 -149255.1184 300.1666 -183625.6682 -149161.9196 299.1577 -113.9072 -80.7065 557568.3332 10.6057 10.4784 PRESSURE: 3503800 -210.872 134.741 -177.572 134.742 -48.2712 -4.10932 -177.572 -4.10805 -220.305 GPRESSURE: 3503800 -197.245 165.116 -256.606 60.2809 0.28386 -70.8178 -136.263 -11.0022 -176.185 PRESSAVG: 3503800 20.0158 26.4488 -59.4382 26.4489 -43.6953 6.89048 -59.438 6.89043 -4.59669 GPRESSAVG: 3503800 20.4402 27.8787 -58.8918 27.0235 -43.9928 8.22112 -61.4785 6.80321 -5.02471 TIMING: 3503800 CPU: 10155.1, 0.00288535/step Wall: 10155.1, 0.00288535/step, 1.19919 hours remaining, 209.839844 MB of memory in use. ENERGY: 3503800 736.7531 2059.1095 1949.2825 112.6127 -206113.9072 17640.6438 0.0000 0.0000 34452.3266 -149163.1790 300.8807 -183615.5056 -149062.3439 299.5571 -159.8160 -124.3818 557831.9601 -9.4254 -9.5257 PRESSURE: 3504000 352.979 -10.836 -32.3334 -10.8348 -7.55846 -91.43 -32.3346 -91.4284 -49.0186 GPRESSURE: 3504000 350.923 -41.7679 -4.76971 25.8622 23.591 -103.779 -41.641 -86.2563 16.8869 PRESSAVG: 3504000 4.87322 -14.5997 -14.1611 -14.5996 1.32021 4.35498 -14.161 4.35505 20.5769 GPRESSAVG: 3504000 3.7947 -13.9871 -16.0719 -15.3855 0.947361 3.24599 -11.4913 3.55557 21.8603 TIMING: 3504000 CPU: 10155.7, 0.00288252/step Wall: 10155.7, 0.00288252/step, 1.19785 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3504000 709.1443 2148.6472 1976.7222 123.6095 -206400.3496 18074.7984 0.0000 0.0000 34156.0003 -149211.4277 298.2928 -183367.4280 -149125.1762 299.2200 98.8006 130.4669 558120.8928 8.9235 8.8675 PRESSURE: 3504200 -51.3204 -186.08 -88.4127 -186.079 58.4344 -132.135 -88.4123 -132.135 3.81019 GPRESSURE: 3504200 -50.2514 -128.048 -36.2938 -230.496 115.12 -101.163 -150.949 -146.62 54.6969 PRESSAVG: 3504200 21.2876 -4.38683 -34.2868 -4.387 -15.4823 -22.2974 -34.2868 -22.2972 -9.23574 GPRESSAVG: 3504200 22.1766 -6.30083 -35.7814 -6.5662 -15.1863 -20.6619 -32.5853 -21.2766 -10.1369 TIMING: 3504200 CPU: 10156.2, 0.00286289/step Wall: 10156.2, 0.00286289/step, 1.18953 hours remaining, 209.839844 MB of memory in use. ENERGY: 3504200 697.7512 2088.8800 1963.4702 117.5557 -205969.3404 17669.5463 0.0000 0.0000 34261.8187 -149170.3183 299.2170 -183432.1370 -149074.6975 299.3972 3.6414 39.8553 557070.3421 -1.1435 -1.0488 LDB: ============= START OF LOAD BALANCING ============== 10159.6 LDB: ============== END OF LOAD BALANCING =============== 10159.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10159.6 LDB: ============= START OF LOAD BALANCING ============== 10159.9 LDB: Largest compute 4792 load 0.028039 is 23.8% of average load 0.118005 LDB: Average compute 0.001723 is 1.5% of average load 0.118005 LDB: TIME 10159.9 LOAD: AVG 0.118005 MAX 0.180763 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 10159.9 LOAD: AVG 0.118005 MAX 0.180763 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.066 MB LDB: TIME 10159.9 LOAD: AVG 0.118005 MAX 0.180763 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10159.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10159.9 PRESSURE: 3504400 15.3298 119.534 -49.8508 119.535 62.7515 13.7011 -49.8498 13.7029 18.022 GPRESSURE: 3504400 69.9334 82.2321 -90.0608 152.958 108.603 66.3626 -21.0639 46.4614 9.57019 PRESSAVG: 3504400 11.7445 11.5638 6.93976 11.5637 -28.8323 22.7941 6.93979 22.7942 55.1016 GPRESSAVG: 3504400 11.6423 12.6499 8.26659 14.201 -29.4738 21.1499 4.83687 22.5844 56.1079 TIMING: 3504400 CPU: 10156.8, 0.00293444/step Wall: 10156.8, 0.00293444/step, 1.2191 hours remaining, 211.894531 MB of memory in use. ENERGY: 3504400 741.8962 2124.1529 1943.1512 127.5352 -206394.8728 17964.0525 0.0000 0.0000 34144.5813 -149349.5035 298.1931 -183494.0848 -149252.5380 299.6647 32.0344 62.7021 557398.9353 12.6713 12.7588 PRESSURE: 3504600 -65.8677 -15.571 -8.29926 -15.571 -110.12 -3.5074 -8.29888 -3.50622 -184.527 GPRESSURE: 3504600 -26.8933 -84.6535 -108.952 -17.9556 -52.8986 1.54363 107.608 -78.7844 -173.13 PRESSAVG: 3504600 32.3578 55.1326 13.2061 55.1325 -19.8074 -33.8979 13.2062 -33.8979 9.04676 GPRESSAVG: 3504600 32.4017 56.1392 14.7274 52.8673 -19.1846 -33.4783 11.0294 -34.0773 8.80251 TIMING: 3504600 CPU: 10157.4, 0.00287666/step Wall: 10157.4, 0.00287666/step, 1.19493 hours remaining, 212.093750 MB of memory in use. ENERGY: 3504600 779.8487 2102.2272 1946.2962 108.1799 -206584.8030 17846.6743 0.0000 0.0000 34176.6204 -149624.9563 298.4729 -183801.5766 -149527.2242 299.1000 -120.1716 -84.3074 558008.5010 7.1990 7.3399 PRESSURE: 3504800 163.546 -211.006 40.4673 -211.005 -140.03 31.3676 40.468 31.3666 57.509 GPRESSURE: 3504800 174.376 -146.91 19.4249 -240.412 -147.727 77.9172 40.3978 -18.4286 144.658 PRESSAVG: 3504800 -11.301 8.32487 -18.8108 8.3248 35.6027 -9.05706 -18.8109 -9.05697 -11.42 GPRESSAVG: 3504800 -11.2406 6.08237 -19.2009 9.8902 35.2735 -7.18077 -16.915 -9.39205 -11.1022 TIMING: 3504800 CPU: 10158, 0.00288/step Wall: 10158, 0.00288/step, 1.19616 hours remaining, 212.093750 MB of memory in use. ENERGY: 3504800 718.5733 2122.5662 1953.2613 112.0121 -206512.6366 18028.2173 0.0000 0.0000 34150.3470 -149427.6594 298.2435 -183578.0064 -149339.5756 298.5594 27.0084 57.1025 558829.9670 4.2939 4.3102 PRESSURE: 3505000 -139.068 -72.2247 108.527 -72.2252 -260.039 205.815 108.527 205.815 -254.142 GPRESSURE: 3505000 -103.477 -133.849 95.3767 -24.7747 -253.922 189.802 110.709 183.107 -194.14 PRESSAVG: 3505000 46.2863 -27.1761 0.177735 -27.1763 -57.9144 -14.4935 0.177794 -14.4934 9.57455 GPRESSAVG: 3505000 45.4481 -24.6285 0.0554998 -28.3326 -56.8585 -15.3317 0.903035 -15.1936 9.62168 TIMING: 3505000 CPU: 10158.5, 0.00288662/step Wall: 10158.5, 0.00288662/step, 1.19875 hours remaining, 212.093750 MB of memory in use. ENERGY: 3505000 760.8919 2125.9983 1947.7149 107.9352 -206216.3035 17630.4153 0.0000 0.0000 34190.6589 -149452.6890 298.5955 -183643.3478 -149358.1144 298.1891 -217.7496 -183.8463 557835.0275 -0.6845 -0.5962 PRESSURE: 3505200 -107.054 -71.8577 19.6999 -71.8584 -96.2811 284.237 19.6998 284.239 -36.6288 GPRESSURE: 3505200 -77.9424 -44.3301 36.5649 -92.4808 -82.9882 337.767 44.1294 214.95 5.20946 PRESSAVG: 3505200 -39.5702 -32.1918 -5.13951 -32.1918 14.098 7.51582 -5.1395 7.51596 42.7558 GPRESSAVG: 3505200 -39.1093 -33.4439 -8.0229 -32.0242 13.3871 6.69285 -4.89119 10.0408 42.9322 TIMING: 3505200 CPU: 10159.1, 0.00288132/step Wall: 10159.1, 0.00288132/step, 1.19639 hours remaining, 212.093750 MB of memory in use. ENERGY: 3505200 725.6738 2078.6230 1938.5748 105.8347 -206007.5117 17642.5256 0.0000 0.0000 34021.6971 -149494.5828 297.1199 -183516.2799 -149392.5877 297.7849 -79.9879 -51.9071 558397.1342 5.7612 5.7366 PRESSURE: 3505400 -127.997 -118.576 35.9327 -118.576 -84.9976 15.7398 35.9327 15.7401 -78.6726 GPRESSURE: 3505400 -144.462 -55.5476 -6.72906 -117.683 -54.1859 -10.1679 79.9731 4.48307 11.5698 PRESSAVG: 3505400 -43.6773 -9.07485 -1.76122 -9.07473 24.1292 5.87539 -1.76115 5.87537 -21.3932 GPRESSAVG: 3505400 -43.8954 -9.21577 0.930844 -7.97315 23.7101 4.56963 -1.50097 6.69971 -21.0929 TIMING: 3505400 CPU: 10159.7, 0.00288281/step Wall: 10159.7, 0.00288281/step, 1.19685 hours remaining, 212.093750 MB of memory in use. ENERGY: 3505400 755.4646 2070.6879 1967.7357 105.4419 -206399.6355 17537.5034 0.0000 0.0000 34339.1380 -149623.6638 299.8922 -183962.8019 -149522.6880 297.7462 -97.2224 -62.3594 557089.7365 -13.6471 -13.7594 PRESSURE: 3505600 -199.853 -93.1335 -90.6962 -93.1347 -167.715 84.7881 -90.6963 84.7892 -162.25 GPRESSURE: 3505600 -199.026 -37.5504 -123.889 -151.054 -110.53 125.422 -92.3315 23.6999 -118.93 PRESSAVG: 3505600 73.2022 -20.2668 -22.1185 -20.2668 -19.5648 11.7171 -22.1187 11.7171 -14.2698 GPRESSAVG: 3505600 72.5593 -20.6268 -23.1664 -19.4352 -18.333 13.5929 -22.867 10.2586 -14.4163 TIMING: 3505600 CPU: 10160.3, 0.00288597/step Wall: 10160.3, 0.00288597/step, 1.198 hours remaining, 212.093750 MB of memory in use. ENERGY: 3505600 743.8810 2034.7113 1975.0154 117.8307 -206199.8859 17661.7219 0.0000 0.0000 34188.6574 -149478.0682 298.5780 -183666.7256 -149383.4286 297.9839 -176.6063 -142.8289 557477.6407 13.1225 13.2700 PRESSURE: 3505800 233.93 24.1538 27.1409 24.1535 24.4868 -92.2063 27.1407 -92.2042 228.347 GPRESSURE: 3505800 303.234 -24.6745 49.0456 38.0115 60.4966 -86.3823 -0.222181 -44.3165 219.093 PRESSAVG: 3505800 20.5014 30.5823 -66.245 30.5824 18.0796 -34.4177 -66.2451 -34.4177 -16.9128 GPRESSAVG: 3505800 20.6651 29.03 -65.4206 29.2179 17.7417 -35.7217 -66.0529 -33.5395 -17.2456 TIMING: 3505800 CPU: 10160.8, 0.00288413/step Wall: 10160.8, 0.00288413/step, 1.19707 hours remaining, 212.093750 MB of memory in use. ENERGY: 3505800 703.5212 2079.0559 1954.4338 113.2034 -206320.3135 18005.6151 0.0000 0.0000 34260.6541 -149203.8300 299.2068 -183464.4842 -149108.7886 299.1730 162.2546 194.2745 557212.6983 7.2227 7.0537 PRESSURE: 3506000 107.369 4.5263 -122.996 4.52671 -33.8975 29.1357 -122.996 29.1356 84.3676 GPRESSURE: 3506000 110.197 36.1469 -125.638 -30.6195 17.3286 49.052 -39.7057 43.9378 131.143 PRESSAVG: 3506000 -34.112 35.9765 -22.1769 35.9765 42.8941 -24.9583 -22.1768 -24.9583 -67.8408 GPRESSAVG: 3506000 -33.8452 36.2453 -21.7678 36.9991 43.2504 -22.9226 -21.5501 -25.8966 -68.681 TIMING: 3506000 CPU: 10161.4, 0.00287573/step Wall: 10161.4, 0.00287573/step, 1.19343 hours remaining, 212.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3506000 756.6810 2059.5824 1942.1936 108.5346 -206373.8408 17921.2359 0.0000 0.0000 34466.3455 -149119.2678 301.0032 -183585.6133 -149029.8458 298.6904 52.6131 86.2227 559321.2366 -19.6863 -19.7586 PRESSURE: 3506200 86.999 9.62692 79.7256 9.62656 126.089 -117.121 79.7259 -117.122 -88.8305 GPRESSURE: 3506200 66.484 25.0276 101.777 35.6388 163.948 -81.8008 67.1852 -67.2914 -23.8311 PRESSAVG: 3506200 54.3954 38.9615 -8.93451 38.9615 15.5815 -52.0361 -8.93443 -52.0361 -25.1106 GPRESSAVG: 3506200 55.74 38.4197 -8.93414 36.7943 15.1117 -54.2581 -9.86932 -51.2119 -26.0196 TIMING: 3506200 CPU: 10162, 0.00286608/step Wall: 10162, 0.00286608/step, 1.18926 hours remaining, 212.093750 MB of memory in use. ENERGY: 3506200 735.0149 2140.3769 1954.2572 113.7021 -205849.0978 17675.0197 0.0000 0.0000 34096.2624 -149134.4645 297.7711 -183230.7270 -149041.9094 299.4520 41.4192 68.8669 557503.0163 14.9554 14.9440 PRESSURE: 3506400 16.6105 66.9256 -66.2882 66.9256 17.2388 -38.6048 -66.2874 -38.6049 -318.096 GPRESSURE: 3506400 21.0372 66.2923 30.1019 139.518 21.0216 -61.3831 -167.389 -50.7386 -226.731 PRESSAVG: 3506400 40.0562 -39.8309 -27.9048 -39.8309 17.7888 23.3753 -27.9048 23.3752 -38.2144 GPRESSAVG: 3506400 39.0474 -36.2661 -27.043 -40.3629 16.5635 25.0947 -28.6975 22.2745 -35.6034 TIMING: 3506400 CPU: 10162.6, 0.0028643/step Wall: 10162.6, 0.0028643/step, 1.18837 hours remaining, 212.093750 MB of memory in use. ENERGY: 3506400 742.7079 2069.8643 1960.2702 104.3739 -206160.2241 17637.8231 0.0000 0.0000 34452.1173 -149193.0675 300.8789 -183645.1847 -149098.1740 299.1677 -94.7489 -61.5575 557918.0642 6.5435 6.6692 PRESSURE: 3506600 91.8975 56.2891 24.8007 56.2892 173.005 -149.432 24.8007 -149.432 237.849 GPRESSURE: 3506600 86.5564 74.3404 -2.65115 56.0793 266.374 -171.159 78.7854 -142.865 238.838 PRESSAVG: 3506600 48.2558 -9.06923 -50.89 -9.06929 -12.5592 -24.7444 -50.8899 -24.7443 -37.3243 GPRESSAVG: 3506600 47.4363 -10.9775 -52.0641 -8.51331 -10.8794 -27.1419 -49.3458 -23.3568 -38.2056 TIMING: 3506600 CPU: 10163.1, 0.00288243/step Wall: 10163.1, 0.00288243/step, 1.19573 hours remaining, 212.093750 MB of memory in use. ENERGY: 3506600 697.5478 2139.0626 1941.1888 109.6069 -206329.2306 17868.9980 0.0000 0.0000 34368.9672 -149203.8593 300.1527 -183572.8265 -149109.4600 299.3982 167.5837 197.2564 557309.3621 -0.5426 -0.5496 PRESSURE: 3506800 84.5094 31.3522 -225.826 31.3522 108.908 125.629 -225.827 125.629 -54.8405 GPRESSURE: 3506800 166.639 83.8081 -215.292 111.792 95.139 174.205 -171.68 94.2827 -29.1625 PRESSAVG: 3506800 16.4912 60.106 -67.0966 60.106 -29.0259 41.2537 -67.0966 41.2538 15.9711 GPRESSAVG: 3506800 17.0715 57.6644 -67.9475 64.0607 -30.2609 43.7561 -66.4729 39.4997 16.1315 TIMING: 3506800 CPU: 10163.7, 0.00289783/step Wall: 10163.7, 0.00289783/step, 1.20195 hours remaining, 212.093750 MB of memory in use. ENERGY: 3506800 736.2329 2087.0580 1924.5197 109.0938 -206044.7647 17829.0864 0.0000 0.0000 34167.4636 -149191.3101 298.3930 -183358.7737 -149099.9328 299.6223 46.1922 77.5385 556317.5601 1.1454 0.9807 PRESSURE: 3507000 144.619 -115.037 22.0432 -115.037 358.118 -0.999616 22.0418 -0.999828 -45.5897 GPRESSURE: 3507000 234.23 -85.5614 -21.1958 -95.4959 361.032 -14.7017 39.6809 16.1109 -36.8819 PRESSAVG: 3507000 4.3576 -20.6564 -29.5195 -20.6564 28.3668 3.01523 -29.5195 3.01527 -24.9769 GPRESSAVG: 3507000 4.3488 -17.559 -27.5733 -23.4589 29.0732 2.7584 -30.488 2.6705 -25.6953 TIMING: 3507000 CPU: 10164.3, 0.00286665/step Wall: 10164.3, 0.00286665/step, 1.18886 hours remaining, 212.093750 MB of memory in use. ENERGY: 3507000 765.0607 2065.3689 1932.4772 94.8770 -206320.0368 18112.7018 0.0000 0.0000 34455.7678 -148893.7835 300.9108 -183349.5513 -148789.3461 299.7048 152.3824 186.1265 557539.5562 2.5825 2.5756 PRESSURE: 3507200 -282.89 -98.1692 -20.9409 -98.1703 -94.9752 -217.102 -20.9405 -217.101 -238.791 GPRESSURE: 3507200 -179.795 -13.0528 -34.447 -231.567 -92.4991 -123.077 33.9181 -206.069 -243.019 PRESSAVG: 3507200 5.55149 -14.3805 7.7531 -14.3805 89.1929 -9.94306 7.75308 -9.94317 -69.2371 GPRESSAVG: 3507200 6.02774 -17.9811 8.62373 -14.2534 88.9288 -9.16305 6.82856 -9.64467 -69.8014 TIMING: 3507200 CPU: 10164.9, 0.00286865/step Wall: 10164.9, 0.00286865/step, 1.18953 hours remaining, 212.093750 MB of memory in use. ENERGY: 3507200 750.0282 2089.1684 1926.5785 105.5629 -205797.3509 17603.8546 0.0000 0.0000 34561.9601 -148760.1981 301.8382 -183322.1582 -148659.5318 300.8133 -205.5522 -171.7710 559278.1985 8.5024 8.3850 PRESSURE: 3507400 -138.868 -9.43426 -37.9089 -9.43479 -111.939 53.5425 -37.9091 53.5437 -248.106 GPRESSURE: 3507400 -69.2879 48.5767 -29.7353 -18.345 -78.1136 124.226 -72.4111 -101.274 -240.409 PRESSAVG: 3507400 8.01321 -9.86146 -4.99821 -9.86152 20.8484 -9.39593 -4.99828 -9.39601 -59.0971 GPRESSAVG: 3507400 7.39058 -7.65269 -6.39939 -10.0398 20.677 -11.5812 -6.10811 -7.8786 -58.6717 TIMING: 3507400 CPU: 10165.4, 0.00288614/step Wall: 10165.4, 0.00288614/step, 1.19663 hours remaining, 212.093750 MB of memory in use. ENERGY: 3507400 746.6216 2061.3635 1949.9004 107.7611 -205602.7461 17492.0723 0.0000 0.0000 34407.5394 -148837.4879 300.4896 -183245.0273 -148740.2819 300.5402 -166.3045 -129.2701 557940.1887 -10.0785 -10.2014 PRESSURE: 3507600 -84.8209 70.0197 -30.736 70.0192 53.9727 -85.7054 -30.7355 -85.7061 -28.1655 GPRESSURE: 3507600 -7.50877 92.9305 -79.7267 114.972 57.9327 -131.364 32.0272 6.53452 -19.4542 PRESSAVG: 3507600 13.6811 16.2172 19.7916 16.2172 8.09431 29.9341 19.7917 29.9342 -15.0085 GPRESSAVG: 3507600 12.7507 16.1596 18.6673 17.7113 8.70704 28.8569 23.9072 29.3386 -14.7296 TIMING: 3507600 CPU: 10166, 0.00287458/step Wall: 10166, 0.00287458/step, 1.19167 hours remaining, 212.093750 MB of memory in use. ENERGY: 3507600 760.7223 2039.6019 1954.2136 107.0368 -205519.9106 17521.4425 0.0000 0.0000 34136.8129 -149000.0805 298.1253 -183136.8934 -148904.9386 299.7659 -19.6712 10.3232 556924.1534 2.2556 2.2427 PRESSURE: 3507800 9.08895 -36.5896 -2.40444 -36.59 121.2 48.9198 -2.40523 48.9215 108.854 GPRESSURE: 3507800 31.0456 -68.9014 51.203 -64.5529 113.151 78.6944 25.0584 44.128 191.875 PRESSAVG: 3507800 -18.0023 -11.1003 -13.8679 -11.1004 93.9494 11.7703 -13.8678 11.7703 -57.591 GPRESSAVG: 3507800 -17.069 -10.1258 -12.8462 -12.674 93.2036 15.2061 -15.7192 11.0115 -57.9772 TIMING: 3507800 CPU: 10166.6, 0.00286098/step Wall: 10166.6, 0.00286098/step, 1.18587 hours remaining, 212.093750 MB of memory in use. ENERGY: 3507800 737.2020 2053.9632 1964.9339 100.6953 -206362.2757 17914.8765 0.0000 0.0000 34562.1751 -149028.4297 301.8401 -183590.6048 -148936.7390 299.8131 79.7142 112.0240 555908.3433 6.1187 6.0525 PRESSURE: 3508000 -241.838 -131.087 3.63049 -131.087 -22.321 -85.5726 3.63044 -85.5727 -36.9126 GPRESSURE: 3508000 -230.353 -84.9477 50.5936 -120.534 25.9591 -19.6846 -24.1418 -137.59 -2.36106 PRESSAVG: 3508000 -20.5696 -64.3288 34.2578 -64.3288 36.434 3.23916 34.2578 3.23903 -39.7631 GPRESSAVG: 3508000 -21.1598 -65.4831 34.4743 -62.7354 36.5142 2.04423 32.9221 3.38894 -39.3949 TIMING: 3508000 CPU: 10167.2, 0.00287157/step Wall: 10167.2, 0.00287157/step, 1.19011 hours remaining, 212.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3508000 768.2269 2060.2702 1962.5598 111.8995 -205710.1409 17628.2053 0.0000 0.0000 34150.9412 -149028.0380 298.2487 -183178.9792 -148928.7759 299.4491 -100.3571 -68.9184 558055.9570 -7.9662 -8.0135 PRESSURE: 3508200 -189.807 -101.523 2.88402 -101.524 -186.29 70.8763 2.88379 70.8747 -286.533 GPRESSURE: 3508200 -196.172 -81.7617 -48.5967 -101.759 -153.682 102.115 -96.3196 2.5505 -203.871 PRESSAVG: 3508200 11.8089 -25.611 9.35806 -25.6109 -5.14611 41.2371 9.35805 41.2371 15.5474 GPRESSAVG: 3508200 12.3188 -25.3202 8.80989 -26.3741 -4.95237 40.1511 10.9037 40.9707 15.1266 TIMING: 3508200 CPU: 10167.7, 0.00287457/step Wall: 10167.7, 0.00287457/step, 1.19119 hours remaining, 212.093750 MB of memory in use. ENERGY: 3508200 752.1825 2112.0785 1928.0844 112.7539 -205507.3366 17454.9542 0.0000 0.0000 34218.9245 -148928.3586 298.8424 -183147.2831 -148836.5763 299.7243 -220.8765 -184.5753 559767.4687 7.4034 7.4977 LDB: ============= START OF LOAD BALANCING ============== 10171.1 LDB: ============== END OF LOAD BALANCING =============== 10171.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10171.1 LDB: ============= START OF LOAD BALANCING ============== 10171.4 LDB: Largest compute 4792 load 0.029532 is 25.0% of average load 0.118031 LDB: Average compute 0.001729 is 1.5% of average load 0.118031 LDB: TIME 10171.4 LOAD: AVG 0.118031 MAX 0.180452 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 10171.4 LOAD: AVG 0.118031 MAX 0.180452 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: TIME 10171.4 LOAD: AVG 0.118031 MAX 0.180452 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10171.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10171.4 PRESSURE: 3508400 -23.9052 7.65708 118.611 7.65758 254.505 1.31696 118.61 1.31682 97.7054 GPRESSURE: 3508400 40.3877 6.71109 167.77 -36.6956 263.374 47.8656 102.864 -45.9387 119.131 PRESSAVG: 3508400 -27.9871 -43.5304 35.4359 -43.5304 -18.0371 72.1594 35.4358 72.1595 57.6849 GPRESSAVG: 3508400 -27.0341 -45.5426 34.7473 -42.1649 -17.396 75.3928 36.5803 73.5264 56.5215 TIMING: 3508400 CPU: 10168.3, 0.0029193/step Wall: 10168.3, 0.0029193/step, 1.20956 hours remaining, 210.609375 MB of memory in use. ENERGY: 3508400 750.1325 2077.8340 1931.5812 113.3785 -205853.4060 17740.6873 0.0000 0.0000 34422.5349 -148817.2576 300.6206 -183239.7925 -148726.9598 299.9178 109.4350 140.9639 556875.9226 3.8869 4.0305 PRESSURE: 3508600 65.6359 -30.9099 -159.276 -30.9098 -99.6261 40.9152 -159.275 40.9141 -325.907 GPRESSURE: 3508600 44.7252 -100.613 -126.171 -8.45865 -69.3273 49.1787 -85.2502 74.1767 -229.572 PRESSAVG: 3508600 -20.9637 -1.7881 10.6185 -1.78818 7.21428 14.3099 10.6184 14.31 12.0908 GPRESSAVG: 3508600 -22.1281 1.00104 11.6833 -4.83105 5.85834 11.646 10.1015 12.2301 14.0168 TIMING: 3508600 CPU: 10168.9, 0.00285449/step Wall: 10168.9, 0.00285449/step, 1.18255 hours remaining, 210.679688 MB of memory in use. ENERGY: 3508600 709.9563 2105.2548 1925.5022 102.3830 -205550.4778 17565.5831 0.0000 0.0000 34134.4563 -149007.3422 298.1047 -183141.7985 -148914.2904 298.7134 -119.9658 -84.7248 557875.6209 -0.5529 -0.7510 PRESSURE: 3508800 -207.93 -177.397 16.0155 -177.396 -104.718 -24.4501 16.0155 -24.4506 -286.565 GPRESSURE: 3508800 -142.493 -119.381 38.1332 -136.805 -115.679 -88.5535 71.4982 -14.8052 -236.931 PRESSAVG: 3508800 42.8328 -13.7368 0.860676 -13.7368 -5.4486 8.3683 0.86058 8.36838 -0.767795 GPRESSAVG: 3508800 42.9624 -13.3829 2.26628 -12.4526 -4.82756 8.49399 -0.329626 9.67016 -0.911507 TIMING: 3508800 CPU: 10169.5, 0.00287186/step Wall: 10169.5, 0.00287186/step, 1.18959 hours remaining, 210.679688 MB of memory in use. ENERGY: 3508800 737.2988 2050.8491 1971.6097 106.0716 -205879.9120 17654.0138 0.0000 0.0000 34409.6223 -148950.4467 300.5078 -183360.0690 -148851.6322 300.4259 -199.7378 -165.0343 558696.4975 12.2055 12.4078 PRESSURE: 3509000 -47.1729 -141.051 -35.6307 -141.051 95.8315 28.7182 -35.6306 28.7201 -155.505 GPRESSURE: 3509000 -34.594 -170.51 -5.49136 -134.857 111.363 56.5385 -6.92127 -18.2669 -87.6255 PRESSAVG: 3509000 37.1364 -68.5268 47.7598 -68.5267 54.7158 -0.619085 47.7599 -0.619074 -41.3063 GPRESSAVG: 3509000 37.6473 -69.8174 45.4044 -69.527 54.9829 -1.03908 48.4084 -0.402288 -41.6 TIMING: 3509000 CPU: 10170.1, 0.00292096/step Wall: 10170.1, 0.00292096/step, 1.20977 hours remaining, 210.882812 MB of memory in use. ENERGY: 3509000 732.0501 2068.1273 1956.6628 107.6171 -205793.1894 17699.5247 0.0000 0.0000 34364.6287 -148864.5787 300.1148 -183229.2074 -148768.1613 299.9095 -35.6153 -3.6188 558484.8652 16.8486 17.0101 PRESSURE: 3509200 -234.379 -41.157 140.127 -41.157 273.115 69.8656 140.126 69.8667 -163.092 GPRESSURE: 3509200 -183.718 -62.4905 88.4656 15.6011 320.154 15.7772 189.866 102.012 -171.75 PRESSAVG: 3509200 -67.478 -36.6364 -9.73287 -36.6364 65.5182 -9.33656 -9.73277 -9.33653 -16.4759 GPRESSAVG: 3509200 -67.2417 -37.0706 -8.33666 -36.4424 65.7555 -7.44312 -10.3387 -10.388 -17.1868 TIMING: 3509200 CPU: 10170.6, 0.00287536/step Wall: 10170.6, 0.00287536/step, 1.19072 hours remaining, 210.882812 MB of memory in use. ENERGY: 3509200 735.1482 2078.0615 1960.9291 103.8011 -205473.5190 17572.0822 0.0000 0.0000 34272.9071 -148750.5898 299.3138 -183023.4969 -148651.7191 300.5625 -41.4521 -11.7713 558925.3369 -6.1453 -6.2243 PRESSURE: 3509400 -281.867 89.8603 133.401 89.86 -194.86 -180.979 133.402 -180.981 -282.043 GPRESSURE: 3509400 -252.474 126.66 157.5 44.0946 -165.513 -130.85 78.3332 -208.926 -236.782 PRESSAVG: 3509400 -21.7825 4.97543 14.1712 4.97539 29.9819 -0.61683 14.1712 -0.616845 -48.3887 GPRESSAVG: 3509400 -21.6875 5.60229 14.5885 4.84293 29.4787 -1.07665 15.628 -0.439979 -47.7778 TIMING: 3509400 CPU: 10171.2, 0.00287767/step Wall: 10171.2, 0.00287767/step, 1.19152 hours remaining, 210.882812 MB of memory in use. ENERGY: 3509400 728.9619 2125.3254 1944.9055 115.9874 -205212.3715 17240.4445 0.0000 0.0000 34394.5891 -148662.1578 300.3765 -183056.7469 -148564.0519 300.6594 -252.9234 -218.2563 557848.6365 -13.3965 -13.3289 PRESSURE: 3509600 -226.894 56.6708 27.3797 56.6714 213.926 -194.07 27.3784 -194.07 -146.162 GPRESSURE: 3509600 -167.433 -43.2044 44.9922 96.8127 227.585 -140.712 63.1334 -230.555 -114.735 PRESSAVG: 3509600 -29.4132 3.14251 -33.7991 3.14258 5.4775 51.864 -33.7991 51.8639 59.3077 GPRESSAVG: 3509600 -29.6278 1.47941 -34.4483 2.73171 5.98896 49.968 -34.8725 52.7973 58.8343 TIMING: 3509600 CPU: 10171.8, 0.00287717/step Wall: 10171.8, 0.00287717/step, 1.19115 hours remaining, 210.882812 MB of memory in use. ENERGY: 3509600 742.1428 2062.7181 1954.7920 109.1176 -205670.9695 17711.7785 0.0000 0.0000 34271.6109 -148818.8095 299.3025 -183090.4205 -148722.2865 300.4184 -53.0431 -18.1942 557516.6328 11.7907 11.7318 PRESSURE: 3509800 -66.8886 -46.9033 -51.627 -46.9039 150.882 -21.2161 -51.627 -21.2166 247.497 GPRESSURE: 3509800 -30.3634 -90.6666 -20.4862 -92.8687 223.88 20.3439 -29.3894 -74.3976 225.739 PRESSAVG: 3509800 -13.0878 20.9606 -41.4422 20.9606 17.4695 3.71394 -41.4422 3.71394 -20.163 GPRESSAVG: 3509800 -13.778 21.3684 -41.9805 20.242 17.9395 4.49191 -38.4183 1.82114 -19.9541 TIMING: 3509800 CPU: 10172.4, 0.00289293/step Wall: 10172.4, 0.00289293/step, 1.19751 hours remaining, 210.882812 MB of memory in use. ENERGY: 3509800 743.3309 2103.2545 1971.3448 125.3750 -205723.6915 17786.1424 0.0000 0.0000 34030.7565 -148963.4874 297.1991 -182994.2439 -148868.7439 299.2121 110.4971 139.7520 557569.8320 -5.2604 -5.2642 PRESSURE: 3510000 23.0728 -213.515 16.6113 -213.516 221.405 -189.223 16.6114 -189.224 -119.482 GPRESSURE: 3510000 118.476 -197.855 43.9875 -165.701 226.1 -172.215 46.4256 -222.375 -129.547 PRESSAVG: 3510000 -28.7783 -43.044 -46.523 -43.044 96.4107 57.2246 -46.523 57.2247 -74.6356 GPRESSAVG: 3510000 -29.1135 -43.303 -46.9169 -41.1123 96.1111 57.3807 -47.8281 57.9107 -73.817 TIMING: 3510000 CPU: 10172.9, 0.00288134/step Wall: 10172.9, 0.00288134/step, 1.19256 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3510000 752.8741 2097.5799 1976.7153 109.5108 -206046.8089 17892.7878 0.0000 0.0000 33994.9195 -149222.4215 296.8861 -183217.3409 -149133.0267 298.9222 41.6650 71.6763 556820.3724 -2.3344 -2.2732 PRESSURE: 3510200 117.323 -48.3033 -53.0009 -48.3025 -146.019 123.105 -53.0019 123.103 52.9083 GPRESSURE: 3510200 169.279 -128.955 -131.29 -57.5159 -81.7046 174.294 -94.7217 49.5136 32.7606 PRESSAVG: 3510200 79.7032 12.4856 -5.77163 12.4856 -29.6568 2.54323 -5.77172 2.54331 -62.6165 GPRESSAVG: 3510200 80.7413 12.6828 -4.26816 12.6358 -29.6363 1.94794 -7.30887 3.08358 -63.1693 TIMING: 3510200 CPU: 10173.5, 0.00287857/step Wall: 10173.5, 0.00287857/step, 1.19125 hours remaining, 210.882812 MB of memory in use. ENERGY: 3510200 723.7034 2112.6142 1957.3897 109.9027 -206090.7133 17692.2694 0.0000 0.0000 34253.9421 -149240.8918 299.1482 -183494.8340 -149144.0516 298.9935 8.0706 40.1118 556528.8383 -4.1900 -4.0214 PRESSURE: 3510400 146.808 68.7586 112.18 68.7601 -23.2285 61.401 112.18 61.4013 -146.515 GPRESSURE: 3510400 133.006 53.4976 84.2595 35.9594 32.3415 96.0298 144.581 -17.6964 -90.7857 PRESSAVG: 3510400 7.70153 -29.3017 -4.28804 -29.3017 -17.5046 15.661 -4.28797 15.6612 11.2486 GPRESSAVG: 3510400 7.07341 -30.327 -5.1541 -31.2066 -17.9225 16.7702 -1.91536 14.8944 11.9885 TIMING: 3510400 CPU: 10174.1, 0.00290133/step Wall: 10174.1, 0.00290133/step, 1.20051 hours remaining, 210.882812 MB of memory in use. ENERGY: 3510400 716.1171 2085.9317 1953.7664 120.9823 -206226.3363 17727.1163 0.0000 0.0000 34301.8352 -149320.5874 299.5665 -183622.4226 -149223.9717 299.1304 -7.6453 24.8541 557014.3770 0.4819 0.3798 PRESSURE: 3510600 -2.07349 34.0513 -205.998 34.0517 -164.7 40.4573 -205.999 40.4564 -82.8067 GPRESSURE: 3510600 7.74163 -18.7115 -187.254 -29.6462 -106.568 -8.19853 -292.891 22.0803 -57.2447 PRESSAVG: 3510600 22.4976 -30.8296 51.3381 -30.8296 -50.1283 -22.8745 51.3381 -22.8744 14.6143 GPRESSAVG: 3510600 22.339 -29.0148 51.3529 -29.7431 -50.0345 -21.2721 50.2048 -22.5326 15.014 TIMING: 3510600 CPU: 10174.7, 0.00289817/step Wall: 10174.7, 0.00289817/step, 1.19904 hours remaining, 210.882812 MB of memory in use. ENERGY: 3510600 763.0912 2156.7540 1959.5106 122.4910 -206169.0852 17662.5354 0.0000 0.0000 34447.5009 -149057.2022 300.8386 -183504.7031 -148961.7432 299.6497 -83.1933 -52.0236 557179.4486 -4.3388 -4.2272 PRESSURE: 3510800 -218.954 -111.587 95.3292 -111.587 -140.996 96.548 95.3305 96.5474 64.696 GPRESSURE: 3510800 -153.766 -55.9201 83.9221 -170.392 -44.6485 -1.23958 79.6512 65.5932 2.99202 PRESSAVG: 3510800 23.3427 16.731 -1.67969 16.731 -12.5377 -10.0855 -1.67971 -10.0854 -3.96118 GPRESSAVG: 3510800 24.2563 15.4994 -2.06748 18.7339 -12.665 -12.4715 -1.90191 -7.56811 -4.71822 TIMING: 3510800 CPU: 10175.2, 0.00286768/step Wall: 10175.2, 0.00286768/step, 1.18626 hours remaining, 210.882812 MB of memory in use. ENERGY: 3510800 755.9776 2122.3435 1944.9569 118.3940 -206001.3204 17617.7449 0.0000 0.0000 34293.7320 -149148.1714 299.4957 -183441.9034 -149059.0448 300.2492 -98.4178 -65.1407 557833.0835 2.2813 2.2910 PRESSURE: 3511000 98.1235 -106.055 -30.1241 -106.054 -225.937 92.873 -30.1241 92.8733 -274.254 GPRESSURE: 3511000 155.488 -24.955 -140.537 -125.757 -218.707 72.0729 -4.71976 91.9397 -236.361 PRESSAVG: 3511000 6.5218 -34.3347 0.405153 -34.3347 -62.3952 -23.464 0.405105 -23.464 -23.6034 GPRESSAVG: 3511000 6.01029 -34.7297 1.8295 -36.2515 -62.8739 -22.1318 -0.698258 -26.8274 -22.646 TIMING: 3511000 CPU: 10175.8, 0.00286468/step Wall: 10175.8, 0.00286468/step, 1.18486 hours remaining, 210.882812 MB of memory in use. ENERGY: 3511000 746.4119 2215.5723 1955.9784 112.6941 -205761.2318 17518.2434 0.0000 0.0000 34290.9013 -148921.4305 299.4710 -183212.3318 -148827.3788 299.8709 -134.0225 -99.8597 558703.3654 -26.4923 -26.5032 PRESSURE: 3511200 -22.0506 12.6994 -70.9849 12.698 -170.194 -118.295 -70.9851 -118.294 -89.2558 GPRESSURE: 3511200 7.73876 47.1902 -23.8247 -95.5382 -175.953 -22.8182 -44.9436 -80.8151 -29.149 PRESSAVG: 3511200 34.199 -31.8376 47.7385 -31.8377 -20.8278 18.5843 47.7385 18.5843 2.82806 GPRESSAVG: 3511200 33.7278 -31.9936 45.6125 -33.5554 -19.8371 17.7361 47.2923 22.1313 2.23863 TIMING: 3511200 CPU: 10176.4, 0.00287563/step Wall: 10176.4, 0.00287563/step, 1.18923 hours remaining, 210.882812 MB of memory in use. ENERGY: 3511200 774.4649 2131.4333 1935.4738 121.8529 -206239.2594 17776.0337 0.0000 0.0000 34393.2134 -149106.7873 300.3645 -183500.0008 -149016.1432 300.1434 -93.8336 -65.7876 557094.2927 5.3997 5.3764 PRESSURE: 3511400 76.71 -15.688 78.2403 -15.6892 -262.865 43.9272 78.2407 43.9292 -284.633 GPRESSURE: 3511400 101.343 -93.5043 113.08 -61.5153 -231.29 81.1162 1.50725 4.96269 -236.35 PRESSAVG: 3511400 21.2358 -69.1107 2.91456 -69.1107 -0.0749612 9.08495 2.91464 9.08501 -39.1776 GPRESSAVG: 3511400 22.0635 -71.3233 4.24635 -65.6189 -2.45934 8.1592 6.30261 8.86323 -37.3738 TIMING: 3511400 CPU: 10177, 0.00287052/step Wall: 10177, 0.00287052/step, 1.18696 hours remaining, 210.882812 MB of memory in use. ENERGY: 3511400 768.9974 2044.7883 1954.4744 117.9483 -205946.9328 17693.9207 0.0000 0.0000 34375.3798 -148991.4239 300.2087 -183366.8037 -148894.7830 300.0278 -156.9292 -122.0989 558472.9663 -6.0056 -5.9232 PRESSURE: 3511600 -194.247 44.4133 -145.069 44.4125 -202.644 100.834 -145.069 100.834 -337.327 GPRESSURE: 3511600 -125.067 39.1006 -161.092 122.043 -141.301 132.685 -77.0431 94.8238 -364.5 PRESSAVG: 3511600 45.1199 -48.1046 -34.3011 -48.1045 -26.7319 42.7504 -34.301 42.7503 23.7178 GPRESSAVG: 3511600 44.4234 -47.4703 -34.2762 -49.6816 -24.3601 45.0762 -36.8044 39.6323 22.4831 TIMING: 3511600 CPU: 10177.6, 0.00289178/step Wall: 10177.6, 0.00289178/step, 1.19559 hours remaining, 210.882812 MB of memory in use. ENERGY: 3511600 746.0930 2166.7406 1937.1197 105.4238 -205592.1367 17379.5347 0.0000 0.0000 34211.4793 -149045.7457 298.7774 -183257.2250 -148946.3684 299.9071 -244.7395 -210.2891 559155.9028 14.0353 14.1821 PRESSURE: 3511800 166.626 -90.8674 -67.8007 -90.8674 86.6348 36.0405 -67.8001 36.0407 0.640307 GPRESSURE: 3511800 179.482 -63.8609 -98.9483 7.8979 141.909 5.66197 -4.30464 64.6706 27.3041 PRESSAVG: 3511800 -65.4606 -30.853 19.5185 -30.8529 56.3398 0.480165 19.5185 0.480142 -9.21521 GPRESSAVG: 3511800 -65.1727 -28.1778 20.8566 -31.7085 55.6259 -0.738331 20.3388 2.9064 -8.5443 TIMING: 3511800 CPU: 10178.1, 0.00285006/step Wall: 10178.1, 0.00285006/step, 1.17818 hours remaining, 210.882812 MB of memory in use. ENERGY: 3511800 714.7057 2094.7478 1938.0064 121.7606 -206118.7181 17823.4003 0.0000 0.0000 34271.7739 -149154.3235 299.3039 -183426.0974 -149054.1446 299.9501 84.6336 116.2317 558313.0510 -6.1120 -6.0304 PRESSURE: 3512000 -298.732 116.374 -57.1635 116.375 214.019 -100.5 -57.1651 -100.501 36.9002 GPRESSURE: 3512000 -263.185 138.354 -95.3214 -16.4222 182.967 -164.344 -13.2447 -52.395 136.715 PRESSAVG: 3512000 11.0073 -1.31613 -4.86213 -1.31609 -18.8302 13.2696 -4.86215 13.2696 18.2562 GPRESSAVG: 3512000 11.0481 -2.94056 -6.97376 0.459786 -18.7201 14.3496 -3.32625 12.0002 17.7122 TIMING: 3512000 CPU: 10178.7, 0.00289009/step Wall: 10178.7, 0.00289009/step, 1.19457 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3512000 726.8374 2064.5148 1956.2314 116.2374 -206076.3642 17785.3539 0.0000 0.0000 34262.3260 -149164.8632 299.2214 -183427.1893 -149072.0809 299.8705 -15.9377 18.8325 558062.1274 3.4778 3.3467 PRESSURE: 3512200 126.788 82.2962 -21.1171 82.2966 -144.878 -34.643 -21.1166 -34.6435 -5.32021 GPRESSURE: 3512200 140.252 220.563 -13.6721 14.3638 -111.822 4.89924 -24.4959 13.515 27.2473 PRESSAVG: 3512200 -37.0691 39.807 14.1978 39.807 -4.62309 6.01329 14.1979 6.01324 30.9603 GPRESSAVG: 3512200 -35.6341 40.1448 16.4012 39.1571 -5.49244 7.11104 12.1817 5.11969 30.8584 TIMING: 3512200 CPU: 10179.3, 0.00289664/step Wall: 10179.3, 0.00289664/step, 1.19712 hours remaining, 210.882812 MB of memory in use. ENERGY: 3512200 751.8024 2111.3185 1925.2062 101.3054 -205916.4940 17555.7668 0.0000 0.0000 34321.0758 -149150.0189 299.7345 -183471.0947 -149056.7050 299.4215 -7.8034 18.5591 556815.0547 -3.5773 -3.4227 LDB: ============= START OF LOAD BALANCING ============== 10182.7 LDB: ============== END OF LOAD BALANCING =============== 10182.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10182.7 LDB: ============= START OF LOAD BALANCING ============== 10183 LDB: Largest compute 4792 load 0.030290 is 25.7% of average load 0.117920 LDB: Average compute 0.001724 is 1.5% of average load 0.117920 LDB: TIME 10183 LOAD: AVG 0.11792 MAX 0.180101 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 10183 LOAD: AVG 0.11792 MAX 0.180101 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.633 MB LDB: TIME 10183 LOAD: AVG 0.11792 MAX 0.180101 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.633 MB LDB: ============== END OF LOAD BALANCING =============== 10183 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10183 PRESSURE: 3512400 212.868 -5.72999 62.9857 -5.73015 76.6176 101.023 62.9852 101.023 -156.585 GPRESSURE: 3512400 205.848 -4.285 34.1629 -6.78998 94.9886 56.6027 4.19893 121.614 -74.8189 PRESSAVG: 3512400 76.1825 15.3167 -30.8948 15.3166 -93.4524 -3.46225 -30.895 -3.46233 53.0476 GPRESSAVG: 3512400 74.576 14.2029 -33.6151 16.1406 -92.0498 -7.39836 -28.9028 -1.45031 53.5933 TIMING: 3512400 CPU: 10179.9, 0.00294447/step Wall: 10179.9, 0.00294447/step, 1.21672 hours remaining, 210.351562 MB of memory in use. ENERGY: 3512400 722.3980 2150.3912 1941.2570 126.2766 -206118.8385 17803.8796 0.0000 0.0000 34276.5814 -149098.0549 299.3459 -183374.6362 -148996.9570 299.5909 44.3001 75.3394 555838.7032 11.9259 12.0399 PRESSURE: 3512600 -0.533072 49.3923 3.39958 49.3927 240.721 -30.8477 3.39909 -30.8466 -84.3914 GPRESSURE: 3512600 68.7183 78.8605 40.5413 15.8417 235.616 -65.4089 29.6309 -39.389 -48.9745 PRESSAVG: 3512600 2.48513 -30.5315 -42.1971 -30.5315 30.255 15.5175 -42.1971 15.5176 -8.54861 GPRESSAVG: 3512600 4.19707 -28.2778 -38.9861 -31.2254 28.2121 16.3859 -44.0024 16.4358 -9.01234 TIMING: 3512600 CPU: 10180.4, 0.00287509/step Wall: 10180.4, 0.00287509/step, 1.18789 hours remaining, 210.554688 MB of memory in use. ENERGY: 3512600 695.8863 2092.8339 1957.3771 114.6033 -206100.1047 17699.9388 0.0000 0.0000 34473.8914 -149065.5739 301.0691 -183539.4653 -148969.4462 299.9899 51.9322 85.1198 556900.5926 8.0638 7.7989 PRESSURE: 3512800 -275.366 -95.421 17.9524 -95.4199 -138.186 20.4264 17.9528 20.4262 -89.7434 GPRESSURE: 3512800 -276.024 -110.982 45.1409 -114.519 -120.561 127.71 -40.8487 -12.165 -13.9729 PRESSAVG: 3512800 -30.8835 3.62794 7.10048 3.62789 -24.897 -7.9615 7.10044 -7.9614 -8.05288 GPRESSAVG: 3512800 -33.5306 2.42932 3.50058 3.9554 -23.6957 -8.62157 8.32171 -8.07403 -7.41125 TIMING: 3512800 CPU: 10181, 0.00289083/step Wall: 10181, 0.00289083/step, 1.19424 hours remaining, 210.554688 MB of memory in use. ENERGY: 3512800 764.6360 2102.2728 1949.4403 115.6506 -206011.4922 17689.0717 0.0000 0.0000 34192.5342 -149197.8865 298.6119 -183390.4207 -149102.8970 299.8763 -167.7652 -136.8528 557720.5940 -21.2778 -21.5458 PRESSURE: 3513000 28.9728 -15.5659 -5.6154 -15.5649 -39.3191 -27.0483 -5.61657 -27.0481 -254.008 GPRESSURE: 3513000 67.1368 -97.3214 -64.734 42.2809 27.8233 -11.4018 -30.2288 -16.7954 -267.429 PRESSAVG: 3513000 113.751 -1.46714 27.8771 -1.46717 -10.3874 3.293 27.8771 3.29288 -55.6186 GPRESSAVG: 3513000 115.483 -1.39865 28.0806 -1.84163 -11.6647 6.64185 28.5012 1.57565 -56.4555 TIMING: 3513000 CPU: 10181.6, 0.0028757/step Wall: 10181.6, 0.0028757/step, 1.18782 hours remaining, 210.554688 MB of memory in use. ENERGY: 3513000 763.7086 2129.6772 1911.3554 123.1224 -206085.4549 17671.0408 0.0000 0.0000 34173.0199 -149313.5306 298.4415 -183486.5505 -149215.5602 299.6733 -88.1182 -57.4896 558320.2087 15.9149 15.7877 PRESSURE: 3513200 -210.525 95.5488 -68.1344 95.548 136.86 44.1764 -68.1338 44.1774 28.1027 GPRESSURE: 3513200 -134.185 158.052 8.6276 13.1379 152.862 -2.84001 -31.2359 6.5975 23.4927 PRESSAVG: 3513200 -57.0248 -23.8943 22.0191 -23.8944 41.7119 -46.4214 22.0192 -46.4214 -12.9987 GPRESSAVG: 3513200 -56.6037 -24.0575 23.131 -24.3585 41.7391 -48.4388 20.6865 -46.0278 -13.2338 TIMING: 3513200 CPU: 10182.2, 0.00286923/step Wall: 10182.2, 0.00286923/step, 1.18499 hours remaining, 210.554688 MB of memory in use. ENERGY: 3513200 694.8340 2100.9266 1933.5492 109.1492 -206260.0525 17704.9833 0.0000 0.0000 34297.4406 -149419.1696 299.5281 -183716.6102 -149329.1318 298.6471 -15.1873 14.0567 558148.8069 -9.4372 -9.3661 PRESSURE: 3513400 -34.39 -81.8328 87.6099 -81.833 -268.404 -9.67162 87.6104 -9.67196 -64.2733 GPRESSURE: 3513400 -0.340425 -42.3191 76.533 -126.199 -227.171 -13.0194 97.0602 36.0268 -37.3251 PRESSAVG: 3513400 28.3414 9.43012 21.4563 9.43012 -45.3905 -15.9339 21.4563 -15.9339 21.3422 GPRESSAVG: 3513400 27.7083 10.5566 22.0025 9.84362 -45.0191 -15.3291 20.1391 -15.0447 21.0075 TIMING: 3513400 CPU: 10182.7, 0.00288129/step Wall: 10182.7, 0.00288129/step, 1.18981 hours remaining, 210.554688 MB of memory in use. ENERGY: 3513400 739.3933 2108.4707 1938.1963 112.2484 -206117.4017 17720.9579 0.0000 0.0000 34091.0193 -149407.1158 297.7254 -183498.1351 -149312.7702 298.7567 -122.3557 -88.2788 559256.1747 1.4310 1.2322 PRESSURE: 3513600 -65.7791 -85.8662 -4.21522 -85.8668 65.6977 -55.1409 -4.21535 -55.1396 -20.6662 GPRESSURE: 3513600 -16.0732 -67.1572 -36.5403 -143.086 78.946 -38.2277 14.117 31.788 15.7973 PRESSAVG: 3513600 -30.6264 -2.86586 67.6744 -2.8658 -16.2583 -25.2885 67.6743 -25.2884 19.1701 GPRESSAVG: 3513600 -30.2069 -2.61108 66.3701 -3.21987 -16.0694 -26.4014 69.1667 -25.1547 18.655 TIMING: 3513600 CPU: 10183.3, 0.00289127/step Wall: 10183.3, 0.00289127/step, 1.19377 hours remaining, 210.554688 MB of memory in use. ENERGY: 3513600 743.3106 2039.1873 1953.1869 97.2145 -206614.2894 17914.4074 0.0000 0.0000 34341.5350 -149525.4477 299.9132 -183866.9827 -149435.6784 297.7931 -6.9159 26.2234 557612.5411 -9.2382 -9.2071 PRESSURE: 3513800 -46.1538 137.656 188.646 137.655 15.9758 -83.9843 188.647 -83.9842 -196.842 GPRESSURE: 3513800 -79.7993 198.527 226.866 77.5971 82.4087 -121.858 132.716 -63.6551 -146.333 PRESSAVG: 3513800 -0.269277 -78.8832 -5.64268 -78.8832 -25.2823 -48.1177 -5.64269 -48.1177 42.8458 GPRESSAVG: 3513800 -0.865258 -80.8886 -5.64398 -78.9548 -26.8717 -46.4848 -6.3918 -49.5411 44.2279 TIMING: 3513800 CPU: 10183.9, 0.00288014/step Wall: 10183.9, 0.00288015/step, 1.18902 hours remaining, 210.554688 MB of memory in use. ENERGY: 3513800 718.4118 2080.2911 1945.7175 103.2486 -206200.5597 17699.0595 0.0000 0.0000 34230.4179 -149423.4132 298.9428 -183653.8312 -149330.7633 298.6614 -75.6732 -47.9079 559335.0495 5.7648 5.4970 PRESSURE: 3514000 2.17758 -158.642 -149.464 -158.644 38.0483 -50.766 -149.464 -50.7652 37.2375 GPRESSURE: 3514000 39.8521 -146.673 -152.619 -66.0828 29.3405 -81.9877 -179.086 50.0487 100.631 PRESSAVG: 3514000 -41.6968 -64.7005 18.0772 -64.7004 44.3083 -74.1328 18.0773 -74.1327 30.5174 GPRESSAVG: 3514000 -43.322 -62.6692 17.2116 -63.9989 46.1755 -72.5199 17.889 -73.9228 30.1788 TIMING: 3514000 CPU: 10184.5, 0.00288547/step Wall: 10184.5, 0.00288547/step, 1.19106 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3514000 727.6109 2066.7954 1960.0259 112.8069 -206548.9847 17882.8852 0.0000 0.0000 34295.9311 -149502.9293 299.5149 -183798.8603 -149396.2151 298.7884 25.8211 56.6079 557912.8923 11.0429 11.0108 PRESSURE: 3514200 47.1128 -64.597 -44.1203 -64.5976 185.773 75.672 -44.1205 75.6709 -53.3226 GPRESSURE: 3514200 66.5103 -84.7115 7.04551 -58.8133 217.389 19.8624 -67.7284 99.4131 -12.7074 PRESSAVG: 3514200 -1.73455 -33.0705 4.87451 -33.0706 -8.20027 -27.4324 4.87458 -27.4324 34.9055 GPRESSAVG: 3514200 -1.41785 -33.7796 4.67663 -32.3798 -8.48016 -29.3869 6.38593 -26.3061 35.1881 TIMING: 3514200 CPU: 10185.1, 0.00288637/step Wall: 10185.1, 0.00288637/step, 1.19127 hours remaining, 210.554688 MB of memory in use. ENERGY: 3514200 735.3697 2106.3894 1930.2051 117.1579 -206611.6814 17927.1820 0.0000 0.0000 34323.9600 -149471.4173 299.7597 -183795.3773 -149370.3279 299.2699 59.8543 90.3974 556710.1418 8.3236 8.4300 PRESSURE: 3514400 31.2387 108.123 -43.292 108.121 -260.09 134.029 -43.2919 134.03 -60.3279 GPRESSURE: 3514400 32.9304 163 -7.83251 88.3659 -195.462 195.051 -3.28518 122.098 -33.4001 PRESSAVG: 3514400 74.8442 35.9199 -12.5576 35.9198 -15.802 2.66459 -12.5576 2.66457 -59.8703 GPRESSAVG: 3514400 74.2029 35.3071 -10.51 36.6692 -15.1541 2.06598 -14.145 1.62354 -59.8135 TIMING: 3514400 CPU: 10185.6, 0.00289923/step Wall: 10185.6, 0.00289923/step, 1.19642 hours remaining, 210.554688 MB of memory in use. ENERGY: 3514400 745.8961 2047.2664 1944.8784 112.7856 -206232.1973 17757.4520 0.0000 0.0000 34087.1294 -149536.7893 297.6914 -183623.9187 -149440.8371 298.1376 -96.3932 -65.3105 556536.5019 -0.2760 -0.2549 PRESSURE: 3514600 57.8376 91.2027 -7.0163 91.2022 -238.64 216.707 -7.01739 216.708 -14.8676 GPRESSURE: 3514600 64.2886 13.7064 -9.85685 107.635 -192.963 122.723 93.9772 243.483 47.8626 PRESSAVG: 3514600 27.8392 9.82661 6.69691 9.82666 -13.0822 -16.3657 6.69688 -16.3658 -13.037 GPRESSAVG: 3514600 29.404 9.81245 5.53234 9.90825 -12.745 -14.1627 7.45701 -17.124 -15.0339 TIMING: 3514600 CPU: 10186.2, 0.00291144/step Wall: 10186.2, 0.00291144/step, 1.20129 hours remaining, 210.554688 MB of memory in use. ENERGY: 3514600 758.5554 2082.8846 1944.6586 115.5040 -206349.9815 17784.1728 0.0000 0.0000 34071.0437 -149593.1624 297.5509 -183664.2061 -149493.8483 298.7283 -65.2233 -26.9372 557133.9345 0.5733 0.5417 PRESSURE: 3514800 -49.4285 -190.943 -37.5446 -190.942 -153.958 -10.2692 -37.5426 -10.2697 -86.6344 GPRESSURE: 3514800 43.6308 -160.217 -80.4801 -254.837 -170.646 4.18515 4.75755 -104.996 -52.3374 PRESSAVG: 3514800 -34.9752 -36.4609 18.7648 -36.4609 0.866893 -20.9229 18.7647 -20.9228 22.0722 GPRESSAVG: 3514800 -34.5685 -35.7929 19.8053 -37.3284 -0.057965 -21.4402 19.0009 -21.6437 22.9944 TIMING: 3514800 CPU: 10186.8, 0.00290101/step Wall: 10186.8, 0.00290101/step, 1.19683 hours remaining, 210.554688 MB of memory in use. ENERGY: 3514800 768.6922 2097.3747 1937.1621 113.9937 -206244.4346 17583.8713 0.0000 0.0000 34271.0685 -149472.2721 299.2978 -183743.3406 -149377.7557 299.0526 -96.6737 -59.7841 554656.6818 -4.0120 -3.8774 PRESSURE: 3515000 -11.4868 -110.203 -149.631 -110.203 -189.314 -92.3962 -149.631 -92.3936 66.904 GPRESSURE: 3515000 -20.4625 -46.171 -180.721 -159.973 -104.138 -118.947 -199.513 23.0549 96.501 PRESSAVG: 3515000 6.74401 -69.5679 19.3114 -69.5679 -31.4709 -23.3319 19.3114 -23.3319 2.46899 GPRESSAVG: 3515000 7.28628 -68.9928 17.6922 -70.106 -31.3191 -23.5675 18.9196 -21.4525 2.18571 TIMING: 3515000 CPU: 10187.4, 0.00287745/step Wall: 10187.4, 0.00287745/step, 1.18695 hours remaining, 210.554688 MB of memory in use. ENERGY: 3515000 768.7356 2057.3478 1942.6723 115.7780 -206205.0283 17752.7944 0.0000 0.0000 34099.9469 -149467.7533 297.8033 -183567.7002 -149377.2498 298.5283 -44.6323 -9.3664 557066.0586 -7.4193 -7.2824 PRESSURE: 3515200 -50.5501 -26.3167 -122.097 -26.3165 183.91 -21.7127 -122.099 -21.711 79.5917 GPRESSURE: 3515200 -30.8102 -43.4953 -85.2358 -9.12774 211.438 -52.5547 -142.002 -0.32721 120.178 PRESSAVG: 3515200 -46.512 -10.2792 -54.4041 -10.2791 0.230002 -68.7153 -54.4041 -68.7151 45.615 GPRESSAVG: 3515200 -47.2405 -10.1812 -52.4955 -10.6985 -0.0287668 -69.0286 -54.8089 -68.0165 46.6654 TIMING: 3515200 CPU: 10187.9, 0.00287652/step Wall: 10187.9, 0.00287652/step, 1.1864 hours remaining, 210.554688 MB of memory in use. ENERGY: 3515200 695.9171 2072.4715 1970.4505 121.1051 -206574.7760 17866.1572 0.0000 0.0000 34265.7588 -149582.9158 299.2514 -183848.6746 -149482.7009 298.6035 70.9838 100.2685 556735.7854 -0.2223 -0.2013 PRESSURE: 3515400 110.751 -14.1806 -5.56518 -14.1813 -100.939 131.86 -5.5658 131.862 165.185 GPRESSURE: 3515400 146.636 -7.70515 32.1475 40.3812 -73.6902 124.476 -60.0204 179.036 187.117 PRESSAVG: 3515400 -35.1918 -30.4828 -23.3516 -30.4828 -6.01295 -35.8251 -23.3516 -35.825 38.015 GPRESSAVG: 3515400 -35.2009 -32.3324 -24.7095 -29.9197 -6.09936 -35.8025 -22.6158 -35.13 38.4754 TIMING: 3515400 CPU: 10188.5, 0.00288588/step Wall: 10188.5, 0.00288588/step, 1.19011 hours remaining, 210.554688 MB of memory in use. ENERGY: 3515400 723.3621 2061.0847 1968.5459 104.0035 -206357.9133 18030.3768 0.0000 0.0000 33990.6467 -149479.8935 296.8488 -183470.5402 -149382.6986 297.7980 58.3325 86.6876 557540.2167 -1.0633 -0.9416 PRESSURE: 3515600 -243.162 45.6022 134.489 45.6028 -52.5515 -313.565 134.49 -313.565 -7.01704 GPRESSURE: 3515600 -252.486 -48.4736 195.216 10.5296 -14.661 -203.958 31.9302 -261.907 62.9076 PRESSAVG: 3515600 -62.7452 45.9189 22.0084 45.9189 -24.6601 -44.9146 22.0085 -44.9146 67.2585 GPRESSAVG: 3515600 -62.0911 47.8318 22.9194 45.0968 -23.4113 -43.8584 19.5876 -48.2917 65.9829 TIMING: 3515600 CPU: 10189.1, 0.00288184/step Wall: 10189.1, 0.00288184/step, 1.18828 hours remaining, 210.554688 MB of memory in use. ENERGY: 3515600 740.1832 2054.0521 1944.4637 108.3970 -206037.2754 17623.3784 0.0000 0.0000 34136.0800 -149430.7208 298.1189 -183566.8008 -149330.4989 298.1944 -100.9102 -68.0798 557140.6274 -6.7156 -6.5065 PRESSURE: 3515800 50.4171 -105.67 123.534 -105.67 217.345 2.88221 123.534 2.8807 58.4435 GPRESSURE: 3515800 109.182 -71.4326 115.975 -99.117 227.264 -46.3401 164.357 105.73 100.298 PRESSAVG: 3515800 -27.6279 29.312 20.9849 29.3121 -20.9503 -32.0457 20.9849 -32.0456 16.831 GPRESSAVG: 3515800 -27.4809 29.4648 19.8942 29.6343 -20.9945 -32.7192 22.9893 -30.8523 16.6027 TIMING: 3515800 CPU: 10189.7, 0.00288325/step Wall: 10189.7, 0.00288325/step, 1.1887 hours remaining, 210.554688 MB of memory in use. ENERGY: 3515800 743.6746 2061.5404 1931.9400 98.7165 -206274.8364 18051.1151 0.0000 0.0000 33922.5642 -149465.2856 296.2542 -183387.8498 -149366.5073 298.4759 108.7353 145.5812 557174.0041 -10.5824 -10.6243 PRESSURE: 3516000 2.72878 52.1712 -31.3091 52.1715 -94.3433 8.64941 -31.3087 8.64883 -283.967 GPRESSURE: 3516000 -25.9728 47.6105 81.6905 63.691 -64.933 33.5796 -103.568 62.2334 -178.944 PRESSAVG: 3516000 -19.2736 -22.5342 -3.65464 -22.5342 -65.4487 -31.2991 -3.65467 -31.2992 70.6224 GPRESSAVG: 3516000 -19.9027 -24.2018 -2.67674 -21.8566 -65.2486 -30.9935 -3.22188 -31.7127 71.1682 TIMING: 3516000 CPU: 10190.2, 0.00285941/step Wall: 10190.2, 0.00285941/step, 1.17871 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3516000 758.0041 2035.8221 1960.2094 124.3296 -206172.3068 17670.2595 0.0000 0.0000 34113.9970 -149509.6851 297.9260 -183623.6821 -149409.0439 298.4539 -125.1937 -89.9500 557521.6319 -4.6999 -4.6610 PRESSURE: 3516200 38.0347 -153.469 -76.7891 -153.47 -19.8193 153.604 -76.7885 153.602 -208.962 GPRESSURE: 3516200 2.96276 -19.5308 -152.581 -225.532 33.9804 212.873 -155.229 78.1573 -130.573 PRESSAVG: 3516200 50.3782 21.461 -72.4334 21.4609 -50.657 6.60241 -72.4334 6.60231 54.9649 GPRESSAVG: 3516200 50.6257 23.8648 -72.5856 20.9978 -50.9747 6.66037 -72.8359 7.78153 55.2951 TIMING: 3516200 CPU: 10190.8, 0.00286662/step Wall: 10190.8, 0.00286662/step, 1.18153 hours remaining, 210.554688 MB of memory in use. ENERGY: 3516200 806.4289 2104.6920 1975.9729 107.3515 -206673.2480 17848.3137 0.0000 0.0000 34215.4091 -149615.0798 298.8117 -183830.4889 -149517.5611 299.1019 -63.5823 -31.2099 556407.2156 18.2287 18.3154 LDB: ============= START OF LOAD BALANCING ============== 10194.2 LDB: ============== END OF LOAD BALANCING =============== 10194.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10194.2 LDB: ============= START OF LOAD BALANCING ============== 10194.5 LDB: Largest compute 4792 load 0.030043 is 25.5% of average load 0.117957 LDB: Average compute 0.001740 is 1.5% of average load 0.117957 LDB: TIME 10194.5 LOAD: AVG 0.117957 MAX 0.179219 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.375 MB LDB: TIME 10194.5 LOAD: AVG 0.117957 MAX 0.179219 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: TIME 10194.5 LOAD: AVG 0.117957 MAX 0.179219 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: ============== END OF LOAD BALANCING =============== 10194.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10194.5 PRESSURE: 3516400 -168.16 -171.57 -177.539 -171.569 104.815 138.597 -177.539 138.596 -83.3581 GPRESSURE: 3516400 -175.092 -132.976 -145.248 -204.319 160.718 106.482 -177.033 139.901 -39.7787 PRESSAVG: 3516400 -54.7674 1.82213 -104.148 1.8221 73.96 43.0483 -104.148 43.0483 16.1907 GPRESSAVG: 3516400 -56.4342 1.00702 -104.034 3.02107 74.7112 42.6174 -105.355 42.8115 16.9962 TIMING: 3516400 CPU: 10191.4, 0.00294329/step Wall: 10191.4, 0.00294329/step, 1.21296 hours remaining, 212.406250 MB of memory in use. ENERGY: 3516400 730.4680 2105.0980 1956.9176 105.8714 -206596.1824 17768.2342 0.0000 0.0000 34153.6807 -149775.9126 298.2726 -183929.5933 -149671.3124 298.2930 -48.9010 -18.0507 556424.8827 11.7945 11.7577 PRESSURE: 3516600 -56.4644 74.994 38.017 74.9938 -182.254 13.9058 38.0172 13.9049 106.999 GPRESSURE: 3516600 -20.5368 75.1008 39.2386 122.044 -147.971 15.6002 76.5499 33.6299 135.354 PRESSAVG: 3516600 -22.8531 -11.0097 -9.08972 -11.0097 37.9483 51.8667 -9.08966 51.8667 21.5932 GPRESSAVG: 3516600 -21.244 -9.79858 -7.40416 -11.4467 37.7577 52.9912 -10.3579 49.1839 20.1941 TIMING: 3516600 CPU: 10192, 0.00287665/step Wall: 10192, 0.00287665/step, 1.18534 hours remaining, 212.406250 MB of memory in use. ENERGY: 3516600 735.5601 2138.7297 1928.9910 120.5396 -206457.4603 17729.9830 0.0000 0.0000 34070.6502 -149733.0067 297.5475 -183803.6568 -149631.2902 298.0204 -43.9063 -11.0514 557440.5532 12.2294 12.2359 PRESSURE: 3516800 -91.609 -45.5861 72.9275 -45.5862 -34.7484 -149.173 72.9285 -149.174 340.529 GPRESSURE: 3516800 -74.6458 0.516586 44.6465 -13.1359 45.1182 -109.76 126.845 -122.865 330.515 PRESSAVG: 3516800 11.1292 -28.8054 37.7475 -28.8054 40.2681 -46.9583 37.7474 -46.9583 -10.7072 GPRESSAVG: 3516800 11.5332 -28.193 36.6269 -29.7347 39.4827 -47.732 40.1646 -44.1433 -10.0235 TIMING: 3516800 CPU: 10192.6, 0.00289092/step Wall: 10192.6, 0.00289092/step, 1.19106 hours remaining, 212.406250 MB of memory in use. ENERGY: 3516800 747.5898 2078.7057 1952.9702 115.4097 -207026.7394 18200.3191 0.0000 0.0000 34349.3323 -149582.4127 299.9813 -183931.7450 -149482.8624 297.7141 71.3907 100.3291 557395.2067 13.5634 13.6641 PRESSURE: 3517000 -494.158 26.7129 81.5647 26.7124 77.032 -4.6381 81.5654 -4.63784 -44.2284 GPRESSURE: 3517000 -478.539 55.4224 119.217 46.8372 125.041 38.3951 46.9802 -88.6158 -7.09994 PRESSAVG: 3517000 -25.3218 -21.76 -12.3515 -21.76 39.4257 -23.5896 -12.3514 -23.5896 -0.666495 GPRESSAVG: 3517000 -25.2541 -21.1026 -12.355 -21.5976 38.5123 -21.7113 -12.7228 -24.9933 -0.558358 TIMING: 3517000 CPU: 10193.1, 0.00288434/step Wall: 10193.1, 0.00288434/step, 1.18819 hours remaining, 212.406250 MB of memory in use. ENERGY: 3517000 744.4096 2078.1171 1927.8826 112.6012 -206259.1429 17703.0710 0.0000 0.0000 34092.8762 -149600.1852 297.7416 -183693.0614 -149503.3422 297.9020 -153.7846 -120.1993 558446.2609 4.4792 4.2333 PRESSURE: 3517200 205.657 234.119 52.2308 234.119 -80.9745 52.4359 52.2308 52.4371 -98.097 GPRESSURE: 3517200 307.3 84.8031 -23.8808 216.809 -52.0806 36.9304 75.9756 60.558 -130.377 PRESSAVG: 3517200 15.233 -2.59587 -10.5716 -2.59581 -37.5741 -4.66235 -10.5716 -4.66232 -11.6137 GPRESSAVG: 3517200 14.9945 -5.66138 -10.8714 -2.65367 -36.4426 -6.11292 -10.5361 -4.92032 -12.3933 TIMING: 3517200 CPU: 10193.7, 0.00288612/step Wall: 10193.7, 0.00288612/step, 1.18876 hours remaining, 212.406250 MB of memory in use. ENERGY: 3517200 744.6344 2055.2875 1940.5548 121.7533 -206624.7488 17941.6794 0.0000 0.0000 34092.5118 -149728.3277 297.7384 -183820.8394 -149631.0309 297.8543 8.8618 41.6140 556942.2300 -11.3183 -11.2804 PRESSURE: 3517400 -8.36328 -56.8815 18.1619 -56.8829 54.8206 -61.9345 18.162 -61.9349 54.824 GPRESSURE: 3517400 22.4 -131.334 31.2827 -45.37 105.818 -16.5165 33.367 -68.4854 73.1182 PRESSAVG: 3517400 8.33234 67.5883 -14.9981 67.5883 23.2185 18.0949 -14.9981 18.0948 -9.89148 GPRESSAVG: 3517400 8.01712 70.4183 -15.2328 66.1116 22.8699 17.2633 -15.6406 19.7376 -9.29604 TIMING: 3517400 CPU: 10194.3, 0.00288071/step Wall: 10194.3, 0.00288071/step, 1.18637 hours remaining, 212.406250 MB of memory in use. ENERGY: 3517400 758.5012 2155.6075 1934.2915 126.2161 -206794.5776 17998.8460 0.0000 0.0000 34219.2384 -149601.8770 298.8451 -183821.1154 -149502.3330 298.2822 33.7605 67.1120 557126.2998 7.2198 7.1970 PRESSURE: 3517600 1.65262 -138.121 -17.8472 -138.122 232.361 180.946 -17.8487 180.947 206.237 GPRESSURE: 3517600 56.8205 -171.273 -22.4814 -176.428 276.65 168.87 30.1957 166.727 204.453 PRESSAVG: 3517600 13.6788 -51.9199 8.82641 -51.9198 15.8061 37.9211 8.82644 37.9211 -7.38913 GPRESSAVG: 3517600 12.6811 -52.4555 9.18706 -51.9386 17.5458 40.7884 9.38453 35.8753 -8.04681 TIMING: 3517600 CPU: 10194.9, 0.00289984/step Wall: 10194.9, 0.00289984/step, 1.19409 hours remaining, 212.406250 MB of memory in use. ENERGY: 3517600 738.6168 2109.7775 1935.4746 109.2385 -206712.3481 17982.7474 0.0000 0.0000 34141.8530 -149694.6404 298.1693 -183836.4934 -149605.9757 298.0931 146.7504 179.3076 557069.0007 7.3653 7.3933 PRESSURE: 3517800 83.2065 20.1238 17.9306 20.1234 -255.787 3.51979 17.93 3.51813 -115.058 GPRESSURE: 3517800 105.311 96.1789 -34.3299 71.9108 -243.502 15.2843 -50.4025 86.7732 -58.8959 PRESSAVG: 3517800 7.55296 -31.7966 7.84606 -31.7966 -25.8841 35.6015 7.84601 35.6016 -9.30592 GPRESSAVG: 3517800 8.30942 -32.415 7.1085 -27.7655 -27.5447 34.4079 5.44032 37.6277 -8.46966 TIMING: 3517800 CPU: 10195.5, 0.00288666/step Wall: 10195.5, 0.00288666/step, 1.1885 hours remaining, 212.406250 MB of memory in use. ENERGY: 3517800 754.9744 2148.6052 1933.3854 119.7145 -206586.8014 17884.4416 0.0000 0.0000 34234.4829 -149511.1974 298.9783 -183745.6804 -149414.7052 297.9174 -95.8795 -65.6955 557644.7593 -9.2124 -9.2350 PRESSURE: 3518000 95.1534 114.588 -74.5664 114.588 -108.836 -178.196 -74.5661 -178.196 -125.372 GPRESSURE: 3518000 69.8038 103.831 -11.5303 111.924 -93.6516 -186.811 -128.618 -179.127 -30.2691 PRESSAVG: 3518000 -2.29202 4.75243 -52.4189 4.75246 26.7985 30.5464 -52.4189 30.5464 -33.9762 GPRESSAVG: 3518000 -3.30212 4.16386 -52.5402 2.5927 26.5255 29.2497 -51.6668 29.4334 -32.438 TIMING: 3518000 CPU: 10196, 0.00288857/step Wall: 10196, 0.00288857/step, 1.18913 hours remaining, 212.406250 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: 3518000 719.8285 2182.0369 1924.9504 124.6755 -206798.8032 17969.4007 0.0000 0.0000 34156.9696 -149720.9415 298.3013 -183877.9112 -149619.1570 298.7807 -46.3512 -18.0390 558497.0930 -3.1566 -3.0715 PRESSURE: 3518200 -63.8851 -24.988 45.9177 -24.9876 -82.1225 44.5764 45.9175 44.5778 13.4627 GPRESSURE: 3518200 -10.7011 -24.287 -59.4696 -20.472 -74.0761 28.688 72.2078 115.544 44.9233 PRESSAVG: 3518200 32.4985 -10.9764 11.3185 -10.9764 -34.8921 50.5465 11.3184 50.5464 -14.8025 GPRESSAVG: 3518200 33.0623 -10.4609 9.90169 -10.6303 -34.2596 51.5988 12.6108 50.7182 -15.9059 TIMING: 3518200 CPU: 10196.6, 0.00289693/step Wall: 10196.6, 0.00289693/step, 1.19241 hours remaining, 212.406250 MB of memory in use. ENERGY: 3518200 762.6092 2131.2642 1959.9852 125.9920 -206543.7157 17970.4069 0.0000 0.0000 33964.4174 -149629.0407 296.6197 -183593.4581 -149540.4333 297.6928 -44.1816 -13.2847 557850.1760 -5.7320 -5.7011 PRESSURE: 3518400 214.864 -147.019 50.6548 -147.018 33.36 103.623 50.6559 103.623 333.762 GPRESSURE: 3518400 271.536 -129.872 31.947 -113.308 51.7289 115.416 39.8032 98.1853 349.847 PRESSAVG: 3518400 5.7088 -20.8357 -8.69548 -20.8357 -68.4398 76.6267 -8.69546 76.6267 46.2942 GPRESSAVG: 3518400 6.26692 -19.2855 -7.68049 -21.2177 -68.0887 75.8899 -7.81686 76.6193 45.4991 TIMING: 3518400 CPU: 10197.2, 0.00288544/step Wall: 10197.2, 0.00288544/step, 1.18752 hours remaining, 212.406250 MB of memory in use. ENERGY: 3518400 771.4307 2061.7343 1967.4445 106.7780 -206809.5039 18168.2188 0.0000 0.0000 33903.0831 -149830.8146 296.0841 -183733.8976 -149739.5286 297.6032 193.9957 224.3707 556964.1494 -5.4789 -5.4409 PRESSURE: 3518600 166.93 -73.6906 -26.4096 -73.6905 222.571 39.603 -26.409 39.6026 82.6623 GPRESSURE: 3518600 140.186 -221.372 -74.0521 6.68614 328.161 -57.3339 -52.2768 46.1994 110.26 PRESSAVG: 3518600 -41.4778 -33.4118 -33.5036 -33.4117 -77.2948 38.7173 -33.5036 38.7172 84.5071 GPRESSAVG: 3518600 -41.9846 -36.3854 -35.376 -32.6695 -77.4134 40.8062 -32.2202 37.3147 84.9531 TIMING: 3518600 CPU: 10197.8, 0.00290013/step Wall: 10197.8, 0.00290013/step, 1.19341 hours remaining, 212.406250 MB of memory in use. ENERGY: 3518600 703.3069 2133.6777 1954.5828 105.1661 -206779.7386 18032.5801 0.0000 0.0000 34075.6769 -149774.7481 297.5914 -183850.4250 -149676.5828 297.2621 157.3877 192.8692 556723.2577 -11.4219 -11.4816 PRESSURE: 3518800 -241.874 45.3913 12.3554 45.3918 38.9751 -48.0522 12.3556 -48.0526 -104.775 GPRESSURE: 3518800 -189.073 101.023 51.7159 -18.9195 75.4707 -84.8434 -45.4372 122.903 -84.6097 PRESSAVG: 3518800 20.613 5.5845 21.5105 5.58454 -58.5091 22.871 21.5105 22.871 38.3676 GPRESSAVG: 3518800 20.1144 5.83385 22.636 7.03421 -58.5327 20.4218 20.1219 25.4397 38.478 TIMING: 3518800 CPU: 10198.3, 0.0028851/step Wall: 10198.3, 0.0028851/step, 1.18706 hours remaining, 212.406250 MB of memory in use. ENERGY: 3518800 720.7202 2112.1073 1932.2615 100.7096 -206704.4873 17933.5541 0.0000 0.0000 34079.5213 -149825.6134 297.6249 -183905.1347 -149726.3668 297.8925 -102.5580 -66.0708 558435.7249 0.1571 0.0199 PRESSURE: 3519000 296.16 94.6986 16.5871 94.699 21.6081 -20.4547 16.5872 -20.455 277.407 GPRESSURE: 3519000 311.794 188.044 -23.7972 75.5513 62.1667 -40.414 6.79793 -17.5905 326.941 PRESSAVG: 3519000 38.0584 -26.9054 52.1837 -26.9053 -49.065 43.8897 52.1837 43.8898 21.8079 GPRESSAVG: 3519000 38.8996 -24.4771 51.968 -29.8644 -49.127 44.1669 52.3323 43.2215 21.1212 TIMING: 3519000 CPU: 10198.9, 0.00287168/step Wall: 10198.9, 0.00287168/step, 1.18138 hours remaining, 212.406250 MB of memory in use. ENERGY: 3519000 684.2603 2145.1152 1937.6864 112.9689 -206911.2358 18126.1878 0.0000 0.0000 34172.5955 -149732.4217 298.4378 -183905.0172 -149639.1813 298.0958 198.3916 233.6338 556219.0822 3.6004 3.6313 PRESSURE: 3519200 -150.738 5.74949 170.958 5.7492 168.217 39.4594 170.958 39.4595 -124.132 GPRESSURE: 3519200 -113.608 18.9215 208.171 35.6659 221.578 61.3044 146.732 -38.2795 -116.083 PRESSAVG: 3519200 104.466 -9.01001 13.6782 -9.00996 -45.6078 20.6772 13.6781 20.6773 -15.2323 GPRESSAVG: 3519200 104.17 -9.28368 13.4876 -7.6735 -46.0922 20.6459 13.8746 20.6228 -14.6632 TIMING: 3519200 CPU: 10199.5, 0.00287988/step Wall: 10199.5, 0.00287988/step, 1.18459 hours remaining, 212.406250 MB of memory in use. ENERGY: 3519200 760.9108 2089.3758 1947.0409 127.2896 -206260.3941 17711.5047 0.0000 0.0000 34108.1818 -149516.0906 297.8752 -183624.2724 -149416.7875 297.4789 -35.5512 -2.7045 558267.2397 14.5421 14.4715 PRESSURE: 3519400 -105.168 96.8676 -298.285 96.867 -337.982 -116.221 -298.286 -116.221 -52.6228 GPRESSURE: 3519400 -129.224 13.678 -219.529 56.1201 -288.643 -114.825 -228.061 -130.02 8.93994 PRESSAVG: 3519400 36.699 -16.1145 -3.60298 -16.1145 24.2351 24.1793 -3.60297 24.1792 -105.415 GPRESSAVG: 3519400 36.633 -17.3493 -1.22883 -15.6685 23.1278 26.1275 -5.51044 22.2659 -104.454 TIMING: 3519400 CPU: 10200.1, 0.00290005/step Wall: 10200.1, 0.00290005/step, 1.19273 hours remaining, 212.406250 MB of memory in use. ENERGY: 3519400 762.5852 2119.5550 1973.0782 117.9689 -206303.4103 17631.2293 0.0000 0.0000 34356.2750 -149342.7188 300.0419 -183698.9938 -149247.9773 298.8618 -165.2575 -136.3089 557896.1545 -14.8269 -14.8979 PRESSURE: 3519600 33.0794 187.063 30.2207 187.063 -153.568 59.1853 30.2207 59.185 -55.6312 GPRESSURE: 3519600 53.2462 129.957 -69.3424 211.696 -84.3419 -20.3871 124.82 120.341 -50.1666 PRESSAVG: 3519600 -27.3422 -26.6262 33.7653 -26.6262 62.8809 16.9194 33.7652 16.9193 2.46802 GPRESSAVG: 3519600 -27.4991 -25.3461 31.9838 -26.0142 63.2113 16.4974 34.746 17.2683 2.57447 TIMING: 3519600 CPU: 10200.7, 0.00289017/step Wall: 10200.7, 0.00289017/step, 1.1885 hours remaining, 212.406250 MB of memory in use. ENERGY: 3519600 719.5461 2131.1538 1944.8441 126.0182 -206326.8583 17822.2816 0.0000 0.0000 34108.6957 -149474.3188 297.8797 -183583.0145 -149373.6468 299.3380 -58.7066 -27.0874 558551.5284 12.6689 12.7622 PRESSURE: 3519800 61.5313 177.238 63.4692 177.237 7.94015 -8.13984 63.4685 -8.13909 -106.301 GPRESSURE: 3519800 92.294 223.159 32.7842 163.557 41.6888 -70.4044 96.5809 103.877 -74.4799 PRESSAVG: 3519800 16.1747 30.64 0.646696 30.6399 -47.9276 30.9087 0.646755 30.9088 35.115 GPRESSAVG: 3519800 15.8835 30.2833 0.98109 30.1686 -47.1703 28.7696 1.84442 31.088 35.0018 TIMING: 3519800 CPU: 10201.2, 0.00290778/step Wall: 10201.2, 0.00290778/step, 1.19558 hours remaining, 212.406250 MB of memory in use. ENERGY: 3519800 757.9914 2101.1350 1978.1079 121.3549 -206212.7269 17948.6922 0.0000 0.0000 33898.3505 -149407.0949 296.0427 -183305.4454 -149314.0404 298.4520 -12.2764 19.8343 559182.4834 1.1207 1.2383 PRESSURE: 3520000 -38.7815 -42.7921 26.8454 -42.7932 127.772 -106.787 26.847 -106.787 -300.467 GPRESSURE: 3520000 16.5412 -53.5533 -8.80541 -80.7079 171.024 -82.8772 49.9399 -51.3167 -304.784 PRESSAVG: 3520000 25.1121 -20.1405 -35.5726 -20.1405 24.6307 60.5123 -35.5725 60.5123 -56.5974 GPRESSAVG: 3520000 25.9606 -19.5605 -35.833 -21.5914 23.5476 60.7345 -34.9822 60.0592 -57.0847 TIMING: 3520000 CPU: 10201.8, 0.00287001/step Wall: 10201.8, 0.00287001/step, 1.17989 hours remaining, 212.406250 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: 3520000 770.8584 2064.1049 1946.1862 117.8717 -206241.5381 17894.3491 0.0000 0.0000 34120.7126 -149327.4551 297.9847 -183448.1678 -149235.8592 298.0299 -70.4924 -39.0729 558208.2091 -2.2849 -2.5255 PRESSURE: 3520200 -124.912 -123.647 14.312 -123.647 -163.997 -74.7384 14.3114 -74.7385 -45.659 GPRESSURE: 3520200 -30.9443 -104.845 -38.7397 -188.176 -156.001 -107.57 -19.2312 -0.833344 -53.6724 PRESSAVG: 3520200 48.353 -9.72388 -9.15258 -9.72389 -28.0602 9.46712 -9.15246 9.46718 -35.9294 GPRESSAVG: 3520200 47.2392 -11.4701 -8.59858 -8.45484 -27.9357 10.61 -11.2463 9.56028 -34.6571 TIMING: 3520200 CPU: 10202.4, 0.00286815/step Wall: 10202.4, 0.00286815/step, 1.17897 hours remaining, 212.406250 MB of memory in use. ENERGY: 3520200 758.7204 2083.2378 1919.9911 118.6964 -206257.6775 17882.1792 0.0000 0.0000 34151.0064 -149343.8462 298.2492 -183494.8526 -149248.0974 298.4341 -111.5225 -80.2058 557141.7325 -5.2122 -5.1179 LDB: ============= START OF LOAD BALANCING ============== 10205.8 LDB: ============== END OF LOAD BALANCING =============== 10205.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10205.8 LDB: ============= START OF LOAD BALANCING ============== 10206 LDB: Largest compute 4792 load 0.028917 is 24.5% of average load 0.117914 LDB: Average compute 0.001731 is 1.5% of average load 0.117914 LDB: TIME 10206.1 LOAD: AVG 0.117914 MAX 0.177685 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.891 MB LDB: TIME 10206.1 LOAD: AVG 0.117914 MAX 0.177685 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.094 MB LDB: TIME 10206.1 LOAD: AVG 0.117914 MAX 0.177685 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.094 MB LDB: ============== END OF LOAD BALANCING =============== 10206.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10206.1 PRESSURE: 3520400 -101.49 -133.474 45.5969 -133.474 -318.464 167.853 45.5966 167.853 -212.045 GPRESSURE: 3520400 -127.799 -193.966 28.4705 -149.793 -239.836 231.64 35.3211 131.652 -153.28 PRESSAVG: 3520400 18.9394 -63.4362 -7.51999 -63.4362 -38.7321 78.1025 -7.52001 78.1024 34.1536 GPRESSAVG: 3520400 18.3667 -64.0871 -7.58259 -62.1192 -38.6904 79.4266 -8.25175 77.1138 34.3699 TIMING: 3520400 CPU: 10203, 0.00291321/step Wall: 10203, 0.00291321/step, 1.19733 hours remaining, 210.917969 MB of memory in use. ENERGY: 3520400 748.5049 2096.1939 1942.4178 117.0835 -206252.4872 17695.0673 0.0000 0.0000 34270.5921 -149382.6278 299.2936 -183653.2199 -149284.0066 298.9800 -210.6662 -173.6385 556906.5644 4.7870 4.6821 PRESSURE: 3520600 299.501 35.6596 -59.9902 35.6581 378.747 -39.6961 -59.9902 -39.6978 -146.476 GPRESSURE: 3520600 306.792 81.1115 -11.3143 -48.8782 425.335 -63.4512 -45.4855 10.2312 -97.1035 PRESSAVG: 3520600 -0.927094 38.8471 -11.8321 38.847 -19.6278 92.9037 -11.8321 92.9036 1.27836 GPRESSAVG: 3520600 -0.817416 39.8499 -12.7524 37.9692 -17.8387 91.1437 -10.1256 95.1525 -0.407777 TIMING: 3520600 CPU: 10203.5, 0.0028694/step Wall: 10203.5, 0.0028694/step, 1.17916 hours remaining, 210.917969 MB of memory in use. ENERGY: 3520600 757.5880 2113.4433 1978.1502 116.7620 -206859.6446 18226.0808 0.0000 0.0000 34280.5206 -149387.0997 299.3803 -183667.6203 -149297.3671 298.7290 177.2573 211.6745 556189.2033 -6.4255 -6.3546 PRESSURE: 3520800 4.47858 97.7896 188.534 97.7893 289.142 -47.5569 188.535 -47.5575 81.5066 GPRESSURE: 3520800 90.9602 23.8124 129.936 122.718 244.243 -26.2233 154.371 38.4667 140.412 PRESSAVG: 3520800 4.03603 17.391 64.0702 17.391 67.5713 24.36 64.0702 24.3599 -49.6519 GPRESSAVG: 3520800 5.05295 18.3159 66.4047 17.5355 65.8702 25.3852 63.2586 24.5875 -48.935 TIMING: 3520800 CPU: 10204.1, 0.00289242/step Wall: 10204.1, 0.00289242/step, 1.18846 hours remaining, 210.917969 MB of memory in use. ENERGY: 3520800 705.8358 2110.2619 1957.0449 114.6138 -206310.7706 17836.8355 0.0000 0.0000 34112.2588 -149473.9199 297.9108 -183586.1787 -149379.5232 299.0722 125.0424 158.5383 556249.9021 7.3185 7.3294 PRESSURE: 3521000 146.108 -76.2534 -38.7902 -76.2524 -84.8238 -93.4335 -38.7902 -93.4348 154.432 GPRESSURE: 3521000 153.998 -59.5039 -117.594 -102.349 -43.764 -60.9852 -76.7302 -4.90163 205.226 PRESSAVG: 3521000 -16.4365 -32.8523 -7.644 -32.8523 7.73807 45.8304 -7.64399 45.8304 14.2866 GPRESSAVG: 3521000 -17.1367 -32.3801 -9.68088 -33.6755 7.86275 45.5714 -7.33794 45.887 14.1178 TIMING: 3521000 CPU: 10204.7, 0.00289759/step Wall: 10204.7, 0.00289759/step, 1.19043 hours remaining, 210.917969 MB of memory in use. ENERGY: 3521000 731.4789 2114.9082 1956.0652 108.5203 -206347.1552 17817.7544 0.0000 0.0000 34270.1023 -149348.3259 299.2893 -183618.4282 -149256.7598 298.9559 71.9055 105.1535 556945.2024 1.8627 1.6146 PRESSURE: 3521200 -120.357 -29.7231 36.4268 -29.7249 -247.072 -129.094 36.427 -129.094 -245.493 GPRESSURE: 3521200 -98.8281 14.2213 68.1439 0.527213 -203.853 -76.0056 74.5321 -128.672 -206.429 PRESSAVG: 3521200 11.2742 -35.536 10.5078 -35.536 5.23832 -19.0386 10.5079 -19.0387 -19.9573 GPRESSAVG: 3521200 11.6954 -36.3324 10.2442 -36.3991 6.18473 -20.4819 10.7511 -18.9007 -21.2316 TIMING: 3521200 CPU: 10205.3, 0.00289602/step Wall: 10205.3, 0.00289602/step, 1.18962 hours remaining, 210.917969 MB of memory in use. ENERGY: 3521200 729.1959 2036.1995 1960.4162 115.9993 -205941.5553 17393.9642 0.0000 0.0000 34282.2100 -149423.5703 299.3951 -183705.7802 -149326.9980 299.1061 -204.3074 -169.7035 556855.2354 -1.1482 -1.1172 PRESSURE: 3521400 -127.347 -250.841 65.1854 -250.841 -230.982 38.288 65.1854 38.2887 -28.9626 GPRESSURE: 3521400 -83.6134 -245.123 99.2736 -227.166 -224.613 59.7827 105.369 72.2477 20.0977 PRESSAVG: 3521400 21.9651 26.4224 -20.6527 26.4224 -33.5786 -5.37464 -20.6526 -5.37453 19.7225 GPRESSAVG: 3521400 20.5265 26.0179 -18.5303 25.7134 -33.6265 -5.01329 -20.0713 -3.64383 21.0774 TIMING: 3521400 CPU: 10205.9, 0.00289473/step Wall: 10205.9, 0.00289473/step, 1.18893 hours remaining, 210.917969 MB of memory in use. ENERGY: 3521400 813.6003 2087.0321 1950.3375 112.5888 -206393.0748 17746.0322 0.0000 0.0000 34290.1089 -149393.3750 299.4640 -183683.4839 -149303.1741 299.5936 -129.0974 -96.0431 556627.4955 2.7030 2.6591 PRESSURE: 3521600 126.835 27.5705 -158.524 27.5694 101.355 -28.471 -158.524 -28.472 18.0405 GPRESSURE: 3521600 205.625 37.0125 -233.501 -59.8035 103.81 9.83383 -128.698 8.31633 44.512 PRESSAVG: 3521600 55.3973 -22.5099 -17.6496 -22.51 -79.4653 47.6034 -17.6495 47.6034 -18.0604 GPRESSAVG: 3521600 56.3003 -23.9779 -16.5658 -20.496 -79.7594 46.0066 -19.7395 47.4935 -18.9302 TIMING: 3521600 CPU: 10206.4, 0.00287942/step Wall: 10206.4, 0.00287942/step, 1.18248 hours remaining, 210.917969 MB of memory in use. ENERGY: 3521600 709.5743 2150.3762 1943.4136 115.0407 -206394.5204 17822.0777 0.0000 0.0000 34184.6367 -149469.4012 298.5429 -183654.0379 -149371.8462 298.8623 82.0768 117.9824 556653.3224 -14.0428 -14.1298 PRESSURE: 3521800 -107.169 -20.6019 -81.4756 -20.6016 -142.86 -204.747 -81.4749 -204.747 -79.4679 GPRESSURE: 3521800 -60.2642 28.7104 -109.384 -51.4406 -105.804 -172.407 -132.749 -247.104 -53.8499 PRESSAVG: 3521800 63.2247 34.571 -21.6156 34.571 -92.972 35.3384 -21.6158 35.3384 76.3642 GPRESSAVG: 3521800 62.1809 34.3151 -21.7015 35.1235 -93.3872 36.3843 -20.2163 32.6612 77.7977 TIMING: 3521800 CPU: 10207, 0.00289327/step Wall: 10207, 0.00289327/step, 1.18801 hours remaining, 210.917969 MB of memory in use. ENERGY: 3521800 768.2799 2112.9255 1951.4866 110.7308 -206164.0364 17606.2613 0.0000 0.0000 34019.8884 -149594.4638 297.1041 -183614.3523 -149496.3266 298.5187 -109.8321 -73.3061 555839.5087 15.5390 15.5305 PRESSURE: 3522000 -32.1359 49.6625 228.704 49.6621 50.1047 -247.492 228.704 -247.492 -97.9066 GPRESSURE: 3522000 50.538 102.101 279.662 -37.2735 73.1924 -237.086 194.229 -231.981 -107.863 PRESSAVG: 3522000 70.336 22.2046 15.4044 22.2044 -12.7201 -54.7378 15.4044 -54.7379 -22.9108 GPRESSAVG: 3522000 72.8167 24.932 12.8669 21.1332 -13.3724 -54.5288 14.3958 -54.7079 -24.6634 TIMING: 3522000 CPU: 10207.6, 0.00287802/step Wall: 10207.6, 0.00287802/step, 1.18159 hours remaining, 210.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3522000 734.0812 2106.9411 1938.5881 104.3260 -206172.1220 17727.0299 0.0000 0.0000 34024.7232 -149536.4325 297.1464 -183561.1557 -149435.5068 298.3914 -26.6459 5.2892 555927.9701 11.5684 11.5936 PRESSURE: 3522200 131.365 -109.456 -64.1351 -109.456 174.894 121.732 -64.1348 121.732 124.416 GPRESSURE: 3522200 162.203 -100.051 -59.9053 -104.945 232.318 117.286 -112.459 144.816 131.533 PRESSAVG: 3522200 1.42082 -3.63511 -34.6326 -3.63501 -9.21588 -49.6241 -34.6325 -49.6241 -48.2915 GPRESSAVG: 3522200 0.713838 -6.57628 -35.26 -0.802828 -8.76553 -48.6905 -31.2334 -49.0783 -48.0403 TIMING: 3522200 CPU: 10208.2, 0.00289213/step Wall: 10208.2, 0.00289213/step, 1.18722 hours remaining, 210.917969 MB of memory in use. ENERGY: 3522200 693.8893 2093.7719 1952.7946 117.3685 -206758.4011 18127.7237 0.0000 0.0000 34368.8993 -149403.9538 300.1521 -183772.8531 -149311.7847 299.0091 143.5583 175.3513 555278.8915 -18.6955 -18.6973 PRESSURE: 3522400 192.977 53.7414 43.2348 53.7415 128.702 6.35052 43.2357 6.34905 -293.425 GPRESSURE: 3522400 213.922 145.778 129.977 48.9177 129.954 85.9198 -53.8299 15.501 -218.716 PRESSAVG: 3522400 6.01399 31.7656 -6.17428 31.7655 48.1242 46.3645 -6.17433 46.3645 -25.7321 GPRESSAVG: 3522400 5.09792 33.7201 -4.87728 28.595 49.0947 46.5405 -8.08303 46.6746 -25.5463 TIMING: 3522400 CPU: 10208.7, 0.00287331/step Wall: 10208.7, 0.00287331/step, 1.17933 hours remaining, 210.917969 MB of memory in use. ENERGY: 3522400 748.9692 2057.6174 1949.8697 123.3138 -206499.0138 17859.5612 0.0000 0.0000 34301.0633 -149458.6190 299.5597 -183759.6824 -149361.3660 298.7558 9.4179 41.7200 557170.4704 9.4687 9.5488 PRESSURE: 3522600 -281.987 -16.2977 36.4066 -16.2979 16.9128 -11.2665 36.4072 -11.265 -12.6227 GPRESSURE: 3522600 -281.041 -0.275516 -39.1699 -6.17629 93.1411 -43.036 -17.1665 -57.9164 -4.13418 PRESSAVG: 3522600 -30.731 10.3208 -4.43995 10.3208 14.293 33.9613 -4.43998 33.9612 11.0836 GPRESSAVG: 3522600 -30.4695 9.54044 -3.98073 11.4199 14.4902 32.4471 -6.43251 33.6897 10.0447 TIMING: 3522600 CPU: 10209.3, 0.00287414/step Wall: 10209.3, 0.00287414/step, 1.17952 hours remaining, 210.917969 MB of memory in use. ENERGY: 3522600 713.4398 2123.8642 1939.5230 117.7896 -206325.1528 17864.0837 0.0000 0.0000 34047.0307 -149519.4217 297.3412 -183566.4524 -149419.0475 298.3274 -92.5657 -64.0114 559615.0841 -1.7848 -1.9782 PRESSURE: 3522800 164.316 135.748 40.2405 135.748 181.728 130.84 40.2411 130.84 238.846 GPRESSURE: 3522800 226.828 152.853 57.9482 6.41582 191.225 68.3344 -81.5421 172.732 258.799 PRESSAVG: 3522800 -10.1719 13.4551 -39.0614 13.4551 -55.5687 -38.8564 -39.0614 -38.8563 23.755 GPRESSAVG: 3522800 -10.5376 13.5274 -40.1332 12.4916 -55.4682 -37.7706 -38.3232 -40.0293 24.1445 TIMING: 3522800 CPU: 10209.9, 0.00288101/step Wall: 10209.9, 0.00288101/step, 1.18217 hours remaining, 210.917969 MB of memory in use. ENERGY: 3522800 729.6864 2042.7420 1958.3605 124.0730 -206869.2426 18214.4588 0.0000 0.0000 34238.7635 -149561.1585 299.0156 -183799.9220 -149458.8692 298.1532 194.9635 225.6175 557171.6494 -13.9952 -13.9537 PRESSURE: 3523000 -347.976 -185.956 -26.1373 -185.956 -196.85 -104.489 -26.1374 -104.489 -208.122 GPRESSURE: 3523000 -298.18 -155.061 -81.8636 -180.601 -137.675 -83.7394 72.8592 -122.558 -222.809 PRESSAVG: 3523000 -11.3694 28.0633 -31.8531 28.0633 -26.0274 -7.57436 -31.8531 -7.57434 32.7124 GPRESSAVG: 3523000 -10.6656 29.3218 -31.3735 29.804 -26.9464 -8.0198 -32.5167 -4.53644 32.6916 TIMING: 3523000 CPU: 10210.5, 0.00287328/step Wall: 10210.5, 0.00287328/step, 1.17884 hours remaining, 210.917969 MB of memory in use. ENERGY: 3523000 793.1897 2096.3002 1969.5132 117.3242 -206214.8770 17471.9229 0.0000 0.0000 34317.0197 -149449.6071 299.6991 -183766.6268 -149360.1735 298.6580 -250.9826 -219.5547 559215.6624 -1.5615 -1.6401 PRESSURE: 3523200 -45.0314 -48.7582 144.94 -48.7598 -10.8546 78.3833 144.94 78.383 -69.3426 GPRESSURE: 3523200 49.1806 -40.9578 119.244 15.3957 44.5875 74.66 130.433 27.4055 -124.039 PRESSAVG: 3523200 -42.961 0.287392 20.1228 0.287359 44.7822 13.8701 20.1227 13.87 26.3437 GPRESSAVG: 3523200 -42.8202 1.17337 17.5918 -2.46436 43.4756 14.002 22.4312 12.6985 26.8335 TIMING: 3523200 CPU: 10211, 0.00288292/step Wall: 10211, 0.00288292/step, 1.18264 hours remaining, 210.917969 MB of memory in use. ENERGY: 3523200 722.3142 2106.4020 1931.4087 107.5534 -206550.9526 17708.3789 0.0000 0.0000 34533.3632 -149441.5322 301.5885 -183974.8955 -149345.3518 298.2094 -41.7429 -10.0902 556962.8597 9.3883 9.1629 PRESSURE: 3523400 -93.0084 85.6017 74.7765 85.6011 -169.183 22.4503 74.7773 22.4516 -64.6044 GPRESSURE: 3523400 -42.5617 80.0469 51.7407 75.8397 -77.4156 29.4722 31.7339 27.9127 -91.9615 PRESSAVG: 3523400 -42.3722 -52.9566 19.2686 -52.9566 45.7259 -26.8242 19.2685 -26.8242 2.9538 GPRESSAVG: 3523400 -42.7131 -54.1017 20.2226 -52.5223 47.1509 -26.6047 17.3628 -25.2196 2.18177 TIMING: 3523400 CPU: 10211.6, 0.00286617/step Wall: 10211.6, 0.00286617/step, 1.17561 hours remaining, 210.917969 MB of memory in use. ENERGY: 3523400 817.4731 2110.7361 1942.2439 128.9003 -206411.5857 17914.4426 0.0000 0.0000 34212.5305 -149285.2591 298.7865 -183497.7896 -149187.3015 299.4487 -108.9319 -70.6463 558022.1988 2.1025 2.2065 PRESSURE: 3523600 -260.488 -107.904 0.168122 -107.905 -168.719 -78.5015 0.168125 -78.5004 -80.035 GPRESSURE: 3523600 -176.64 -39.3567 20.4549 -113.887 -93.872 -29.1432 -53.194 -131.118 -139.63 PRESSAVG: 3523600 48.6957 -47.4084 3.21978 -47.4084 14.6502 -22.5892 3.21985 -22.5893 -67.3145 GPRESSAVG: 3523600 48.5857 -46.9605 3.02805 -47.1553 14.2789 -22.0118 4.5501 -25.253 -66.3396 TIMING: 3523600 CPU: 10212.2, 0.00287563/step Wall: 10212.2, 0.00287563/step, 1.17933 hours remaining, 210.917969 MB of memory in use. ENERGY: 3523600 748.7237 2079.6330 1970.2119 117.1260 -206162.7186 17592.5395 0.0000 0.0000 34187.6706 -149466.8141 298.5694 -183654.4847 -149361.1230 298.8011 -169.7474 -136.7141 557476.8213 -1.3228 -1.1583 PRESSURE: 3523800 -91.8404 10.9093 2.739 10.9096 206.728 63.7972 2.7397 63.7977 79.1451 GPRESSURE: 3523800 -115.26 100.973 73.9265 -38.3026 263.251 98.9885 -22.9305 173.539 140.734 PRESSAVG: 3523800 30.0711 4.83862 9.41404 4.83858 21.9146 57.3491 9.41408 57.3492 -50.114 GPRESSAVG: 3523800 29.5187 4.43413 11.0886 5.65994 21.3739 56.845 8.21842 59.0673 -49.2714 TIMING: 3523800 CPU: 10212.8, 0.00289315/step Wall: 10212.8, 0.00289315/step, 1.18635 hours remaining, 210.917969 MB of memory in use. ENERGY: 3523800 733.0362 2052.1403 1938.7238 116.6598 -206756.8029 17984.6609 0.0000 0.0000 34156.3790 -149775.2028 298.2962 -183931.5819 -149679.4514 298.6329 64.6774 96.2417 556101.4742 0.6239 0.5404 PRESSURE: 3524000 -72.8456 -35.634 166.574 -35.6337 63.7259 93.1288 166.574 93.13 -70.0121 GPRESSURE: 3524000 27.0271 68.8737 196.583 -55.8391 58.6768 86.751 97.3871 53.7257 -59.5734 PRESSAVG: 3524000 20.2229 12.9279 20.5118 12.9278 -2.06688 12.8852 20.5118 12.8853 -0.599827 GPRESSAVG: 3524000 22.3064 13.2435 21.494 11.1346 -1.49825 13.9492 19.1905 11.8 -2.72028 TIMING: 3524000 CPU: 10213.3, 0.00290129/step Wall: 10213.3, 0.00290129/step, 1.18953 hours remaining, 210.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3524000 771.9765 2094.0984 1948.2598 120.7630 -206975.2536 17968.6580 0.0000 0.0000 34056.4183 -150015.0796 297.4232 -184071.4978 -149913.8883 297.6310 -26.3773 8.7102 557961.9439 5.8521 6.0293 PRESSURE: 3524200 -94.3866 5.53187 -13.3809 5.53196 108.309 -24.159 -13.3826 -24.1586 -6.56621 GPRESSURE: 3524200 -48.4832 -5.92342 19.2672 71.8086 169.523 -58.6307 -141.122 -1.16675 -9.78413 PRESSAVG: 3524200 -31.25 -43.1436 14.404 -43.1435 1.73538 -5.86769 14.4041 -5.86777 47.6095 GPRESSAVG: 3524200 -32.2605 -42.5359 12.2528 -42.4616 1.477 -5.88201 15.031 -6.93883 48.92 TIMING: 3524200 CPU: 10213.9, 0.00289621/step Wall: 10213.9, 0.0028962/step, 1.18728 hours remaining, 210.917969 MB of memory in use. ENERGY: 3524200 739.8175 2077.3121 1943.2241 116.8781 -206749.0404 18042.6347 0.0000 0.0000 33882.7361 -149946.4378 295.9064 -183829.1738 -149845.7317 297.2358 2.4521 37.0852 557750.8036 6.0316 6.0455 LDB: ============= START OF LOAD BALANCING ============== 10217.3 LDB: ============== END OF LOAD BALANCING =============== 10217.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10217.3 LDB: ============= START OF LOAD BALANCING ============== 10217.6 LDB: Largest compute 4792 load 0.029703 is 25.2% of average load 0.117996 LDB: Average compute 0.001724 is 1.5% of average load 0.117996 LDB: TIME 10217.6 LOAD: AVG 0.117996 MAX 0.178772 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.047 MB LDB: TIME 10217.6 LOAD: AVG 0.117996 MAX 0.178772 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: TIME 10217.6 LOAD: AVG 0.117996 MAX 0.178772 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10217.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10217.6 PRESSURE: 3524400 19.2817 27.4831 -324.516 27.4828 -192.602 107.059 -324.516 107.057 -229.025 GPRESSURE: 3524400 59.2957 93.5951 -345.445 -32.8505 -155.18 58.9971 -190.704 107.971 -205.921 PRESSAVG: 3524400 -2.60573 26.2613 -35.2791 26.2613 8.35829 -20.1097 -35.2791 -20.1096 -56.911 GPRESSAVG: 3524400 -4.33006 26.0214 -35.8777 26.6138 9.07046 -19.4152 -33.6357 -20.152 -55.7191 TIMING: 3524400 CPU: 10214.5, 0.00294902/step Wall: 10214.5, 0.00294902/step, 1.20877 hours remaining, 211.171875 MB of memory in use. ENERGY: 3524400 726.7129 2105.6993 1949.9276 120.8162 -206544.6773 17819.1181 0.0000 0.0000 34027.0170 -149795.3860 297.1664 -183822.4030 -149699.5663 297.2226 -134.1154 -100.6017 558140.2126 -17.0528 -16.9929 PRESSURE: 3524600 -10.4032 169.132 -189.18 169.132 153.083 -17.7788 -189.179 -17.7784 38.2407 GPRESSURE: 3524600 38.6978 151.511 -168.034 216.541 175.067 45.2651 -223.201 -97.8333 67.7254 PRESSAVG: 3524600 8.25556 -33.7555 -43.7968 -33.7556 -13.0647 26.9373 -43.7967 26.9373 -18.5174 GPRESSAVG: 3524600 9.19393 -33.066 -42.1312 -32.327 -13.0673 26.8565 -44.6822 26.8268 -19.0765 TIMING: 3524600 CPU: 10215.1, 0.00289271/step Wall: 10215.1, 0.00289271/step, 1.18553 hours remaining, 211.375000 MB of memory in use. ENERGY: 3524600 807.0440 2067.3438 1976.6425 115.7605 -206795.7758 17952.0569 0.0000 0.0000 34082.4042 -149794.5238 297.6501 -183876.9280 -149701.6006 297.7327 60.3067 93.8301 556004.9843 -7.7755 -7.6499 PRESSURE: 3524800 -143.797 -61.9845 -14.6767 -61.9846 -147.209 26.654 -14.6756 26.6544 -285.042 GPRESSURE: 3524800 -103.163 50.4025 -164.284 -89.172 -147.244 14.0819 29.4834 -46.0472 -220.967 PRESSAVG: 3524800 -32.6106 20.4686 -20.6734 20.4686 31.1929 -46.9832 -20.6734 -46.9833 3.34153 GPRESSAVG: 3524800 -33.1819 18.8822 -23.8272 18.1021 31.0425 -48.0285 -20.486 -44.7895 4.04466 TIMING: 3524800 CPU: 10215.7, 0.00287789/step Wall: 10215.7, 0.00287789/step, 1.17929 hours remaining, 211.375000 MB of memory in use. ENERGY: 3524800 766.4684 2088.7883 1929.0892 118.6770 -206429.3476 17839.1396 0.0000 0.0000 33957.1462 -149730.0388 296.5562 -183687.1850 -149629.1857 298.4040 -192.0158 -157.1249 557893.5143 0.6413 0.6351 PRESSURE: 3525000 -127.724 119.369 -70.6411 119.369 -217.451 105.301 -70.6421 105.301 -163.162 GPRESSURE: 3525000 -109.931 177.911 -72.4914 146.569 -173.822 79.7766 -51.9058 87.5577 -129.318 PRESSAVG: 3525000 63.2206 -9.14485 -31.6324 -9.14485 -48.6723 -20.8488 -31.6323 -20.8488 -35.7457 GPRESSAVG: 3525000 64.0766 -10.0815 -29.9816 -6.94083 -48.9592 -20.7665 -32.2393 -21.9694 -36.6632 TIMING: 3525000 CPU: 10216.2, 0.00289644/step Wall: 10216.2, 0.00289644/step, 1.18674 hours remaining, 211.375000 MB of memory in use. ENERGY: 3525000 790.9953 2131.9634 1928.2497 124.9854 -206550.5317 17725.2538 0.0000 0.0000 34076.7784 -149772.3056 297.6010 -183849.0840 -149670.5556 298.4146 -169.4455 -137.6902 555653.7787 -7.0658 -7.1819 PRESSURE: 3525200 -232.415 87.4317 -25.1668 87.4327 -260.348 87.6108 -25.1671 87.6119 -231.761 GPRESSURE: 3525200 -153.843 10.2551 -66.6029 134.269 -337.623 110.63 13.8614 19.6104 -145.718 PRESSAVG: 3525200 -5.55348 13.4988 -33.8865 13.4989 16.911 51.3144 -33.8865 51.3143 6.93422 GPRESSAVG: 3525200 -4.79684 13.4143 -34.2905 14.1931 15.699 53.2695 -33.7614 50.4115 7.25817 TIMING: 3525200 CPU: 10216.8, 0.00287379/step Wall: 10216.8, 0.00287379/step, 1.1773 hours remaining, 211.375000 MB of memory in use. ENERGY: 3525200 735.0075 2099.7000 1948.0551 116.5030 -206289.6739 17498.6447 0.0000 0.0000 34116.6526 -149775.1111 297.9492 -183891.7637 -149677.5134 297.9610 -241.5082 -212.3945 558480.1863 6.0973 6.0534 PRESSURE: 3525400 -51.8756 25.0271 111.358 25.0273 -306.834 -60.4389 111.358 -60.4383 -190.417 GPRESSURE: 3525400 -50.1116 104.632 63.8928 -40.2899 -291.291 -148.307 154.097 -26.1072 -100.924 PRESSAVG: 3525400 15.9164 6.57162 -4.43195 6.57166 -66.7489 -23.7275 -4.43192 -23.7274 102.674 GPRESSAVG: 3525400 15.1187 7.4154 -4.25434 7.08644 -66.3147 -25.3436 -4.37627 -24.5465 102.69 TIMING: 3525400 CPU: 10217.4, 0.00287535/step Wall: 10217.4, 0.00287535/step, 1.17778 hours remaining, 211.375000 MB of memory in use. ENERGY: 3525400 774.2189 2112.6335 1974.4945 120.9874 -206605.1983 17740.2245 0.0000 0.0000 33965.2744 -149917.3650 296.6272 -183882.6394 -149822.1638 297.4748 -183.0420 -147.4424 556095.6808 17.2804 17.1648 PRESSURE: 3525600 235.422 -15.5316 263.768 -15.5313 -211.073 -15.6 263.769 -15.5994 -252.646 GPRESSURE: 3525600 259.873 13.7257 257.262 -59.784 -159.379 19.2231 261.451 -2.09425 -227.598 PRESSAVG: 3525600 -21.9411 19.6157 40.0528 19.6156 -17.8447 -48.0361 40.0529 -48.0362 -5.96862 GPRESSAVG: 3525600 -21.7602 18.0573 39.3337 19.5086 -18.5482 -46.7176 41.3791 -46.608 -5.5609 TIMING: 3525600 CPU: 10218, 0.00287915/step Wall: 10218, 0.00287915/step, 1.17917 hours remaining, 211.375000 MB of memory in use. ENERGY: 3525600 760.1270 2082.5831 1942.5170 116.2998 -206918.6029 17960.0913 0.0000 0.0000 33985.5535 -150071.4313 296.8043 -184056.9848 -149976.8465 296.4455 -76.0987 -42.3681 557836.2811 -15.2515 -15.2898 PRESSURE: 3525800 -103.339 -75.269 41.4771 -75.2695 -297.627 -40.4372 41.4774 -40.436 -26.8593 GPRESSURE: 3525800 -78.1545 -5.03982 53.7773 -98.4472 -297.294 49.0434 105.336 -205.011 28.3708 PRESSAVG: 3525800 9.6961 5.88544 -42.5955 5.88541 -38.4092 -27.9194 -42.5956 -27.9193 35.7906 GPRESSAVG: 3525800 8.89326 8.01325 -41.0079 5.53604 -37.4823 -26.8062 -44.5231 -28.0668 35.7428 TIMING: 3525800 CPU: 10218.6, 0.00288853/step Wall: 10218.6, 0.00288853/step, 1.18285 hours remaining, 211.375000 MB of memory in use. ENERGY: 3525800 781.9038 2110.2839 1938.6842 111.1222 -206758.5299 17907.8273 0.0000 0.0000 34012.4241 -149896.2844 297.0390 -183908.7085 -149790.0553 296.4880 -142.6083 -115.6927 556977.5114 2.3592 2.3846 PRESSURE: 3526000 -47.3592 97.3084 -4.03955 97.3076 -38.7763 56.1222 -4.04012 56.125 191.805 GPRESSURE: 3526000 -33.8896 -3.97581 28.6853 134.52 -5.6488 38.4189 37.4502 47.8182 253.819 PRESSAVG: 3526000 -5.9471 -24.3489 44.0443 -24.3489 -57.5118 29.5407 44.0443 29.5408 75.137 GPRESSAVG: 3526000 -5.91524 -26.0409 43.1539 -24.8277 -58.5896 27.6613 44.6973 29.799 76.2157 TIMING: 3526000 CPU: 10219.1, 0.00287868/step Wall: 10219.1, 0.00287868/step, 1.17866 hours remaining, 211.375000 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: 3526000 758.6679 2108.3310 1926.5449 122.3825 -207035.4206 18175.5589 0.0000 0.0000 34337.0420 -149606.8935 299.8739 -183943.9355 -149517.5064 296.9534 35.2231 71.4269 559051.3593 3.8927 3.9036 PRESSURE: 3526200 98.3513 31.6911 100.732 31.6914 46.2966 -168.458 100.731 -168.457 65.6125 GPRESSURE: 3526200 9.29279 -6.50302 7.00755 -31.4692 143.058 -78.1605 137.476 -211.14 159.887 PRESSAVG: 3526200 -40.0895 39.1162 0.137215 39.1162 -35.3744 52.0877 0.137231 52.0877 66.6021 GPRESSAVG: 3526200 -40.4447 40.8207 -0.447985 39.0775 -33.6671 52.8041 1.18677 51.8809 65.3777 TIMING: 3526200 CPU: 10219.7, 0.00286997/step Wall: 10219.7, 0.00286997/step, 1.17493 hours remaining, 211.375000 MB of memory in use. ENERGY: 3526200 712.4323 2095.9804 1939.5485 116.5289 -206777.5641 18080.0775 0.0000 0.0000 34150.4493 -149682.5472 298.2444 -183832.9965 -149586.9304 297.8305 70.0868 104.0791 557592.0690 -2.9539 -2.9114 PRESSURE: 3526400 -34.4345 -17.0623 106.433 -17.0622 137.357 -40.3564 106.433 -40.3552 13.5138 GPRESSURE: 3526400 31.1615 -26.1117 50.8559 -29.8222 152.677 -27.8319 184.887 -2.79855 41.9186 PRESSAVG: 3526400 -49.3479 -30.2233 38.2301 -30.2234 -11.1722 36.0927 38.23 36.0927 55.0461 GPRESSAVG: 3526400 -47.3779 -30.3686 39.3063 -28.6869 -11.5506 35.7797 38.3647 37.3033 53.879 TIMING: 3526400 CPU: 10220.3, 0.00287681/step Wall: 10220.3, 0.00287681/step, 1.17757 hours remaining, 211.375000 MB of memory in use. ENERGY: 3526400 752.3103 2084.0150 1916.7606 115.2754 -206753.0353 18056.8498 0.0000 0.0000 34169.3531 -149658.4711 298.4095 -183827.8242 -149559.9697 298.2228 38.8120 75.2524 559388.9424 -1.8247 -1.6832 PRESSURE: 3526600 -164.739 -76.0678 24.8096 -76.0684 -103.978 -198.133 24.8091 -198.134 -18.2887 GPRESSURE: 3526600 -153.666 -64.9553 48.0276 -73.0325 -89.8383 -291.424 18.0836 -235.688 68.31 PRESSAVG: 3526600 -22.6106 -0.68784 56.3909 -0.687822 6.72755 -36.249 56.391 -36.249 -4.82076 GPRESSAVG: 3526600 -24.8722 -0.21025 57.9663 -1.85165 7.22461 -36.1202 54.6382 -38.7947 -3.51037 TIMING: 3526600 CPU: 10220.9, 0.00287646/step Wall: 10220.9, 0.00287646/step, 1.17727 hours remaining, 211.375000 MB of memory in use. ENERGY: 3526600 737.1169 2060.8634 1946.5707 113.8076 -206286.1389 17800.3382 0.0000 0.0000 34014.4809 -149612.9611 297.0569 -183627.4420 -149514.4438 297.7117 -95.6686 -58.3982 559645.4835 -6.9013 -7.0526 PRESSURE: 3526800 -97.1842 70.7198 94.4198 70.7204 -146.483 73.1812 94.4204 73.1813 -68.0462 GPRESSURE: 3526800 -60.099 120.551 100.764 -15.163 -147.943 101.101 47.7089 74.0336 -6.55741 PRESSAVG: 3526800 -6.06347 -45.8045 -11.1064 -45.8045 -18.2303 13.0411 -11.1064 13.0411 17.1975 GPRESSAVG: 3526800 -5.08523 -46.207 -12.3948 -46.0487 -19.486 13.0993 -10.0399 14.1924 17.8028 TIMING: 3526800 CPU: 10221.4, 0.00287416/step Wall: 10221.4, 0.00287416/step, 1.17617 hours remaining, 211.375000 MB of memory in use. ENERGY: 3526800 755.3122 2080.7280 1949.9212 116.4507 -206634.1905 18004.9219 0.0000 0.0000 34034.3582 -149692.4983 297.2305 -183726.8565 -149593.2837 297.5884 -103.9043 -71.5330 558862.5806 -2.3654 -2.2561 PRESSURE: 3527000 32.0988 103.236 116.502 103.236 -192.445 -66.4158 116.502 -66.4166 -565.186 GPRESSURE: 3527000 68.2194 29.3069 112.853 59.5617 -153.896 27.2283 165.473 -51.2151 -541.182 PRESSAVG: 3527000 87.1455 -24.3014 0.337614 -24.3014 -41.419 -6.5886 0.337573 -6.58857 -50.9491 GPRESSAVG: 3527000 86.9485 -24.1158 -1.78349 -24.0678 -40.339 -6.03089 1.00189 -6.5079 -52.1608 TIMING: 3527000 CPU: 10222, 0.00286842/step Wall: 10222, 0.00286842/step, 1.17366 hours remaining, 211.375000 MB of memory in use. ENERGY: 3527000 759.3516 2046.8214 1941.9659 123.5389 -206492.5150 17720.9761 0.0000 0.0000 34084.5571 -149815.3041 297.6689 -183899.8612 -149715.5561 297.9547 -241.8442 -208.9530 557747.7969 -1.7409 -1.8504 PRESSURE: 3527200 -76.9392 -77.3476 -28.9173 -77.3479 8.75549 -149.922 -28.9153 -149.924 -106.935 GPRESSURE: 3527200 -75.3412 35.7258 16.5096 -122.496 -4.07109 -119.459 -53.4367 -173.484 -15.4047 PRESSAVG: 3527200 48.682 -3.34312 5.23266 -3.34316 27.1304 25.2294 5.23269 25.2294 -68.4826 GPRESSAVG: 3527200 48.5827 -3.39532 4.45427 -3.67055 26.5298 24.6979 3.99617 23.7944 -68.2162 TIMING: 3527200 CPU: 10222.6, 0.00287369/step Wall: 10222.6, 0.00287369/step, 1.17566 hours remaining, 211.375000 MB of memory in use. ENERGY: 3527200 744.5294 2077.1057 1925.7574 102.8197 -206453.4444 17743.3151 0.0000 0.0000 34038.2671 -149821.6500 297.2647 -183859.9171 -149722.6367 297.5256 -58.3729 -31.6057 557671.1648 2.4433 2.2987 PRESSURE: 3527400 -211.362 114.485 -2.56277 114.486 -167.543 -138.484 -2.56294 -138.485 4.65768 GPRESSURE: 3527400 -164.249 72.9598 -25.9732 19.4501 -154.779 -92.8879 -54.0547 -82.4052 53.1192 PRESSAVG: 3527400 -12.4871 -3.05399 -20.4764 -3.05403 -64.3551 2.47316 -20.4763 2.47324 74.7124 GPRESSAVG: 3527400 -12.6638 -4.01482 -18.2796 -2.36098 -63.5661 2.93848 -21.5807 3.56132 73.8004 TIMING: 3527400 CPU: 10223.2, 0.00289338/step Wall: 10223.2, 0.00289338/step, 1.18355 hours remaining, 211.375000 MB of memory in use. ENERGY: 3527400 769.4428 2081.3489 1957.2320 109.2650 -206591.1047 17789.6582 0.0000 0.0000 34079.4948 -149804.6631 297.6247 -183884.1579 -149711.7031 297.4346 -124.7490 -88.6362 557629.7982 -0.7099 -0.8098 PRESSURE: 3527600 66.1697 38.994 115.281 38.9937 -92.0022 -110.06 115.28 -110.06 130.3 GPRESSURE: 3527600 122.441 -32.8629 51.248 53.2107 -53.3194 -131.572 126.96 -151.6 131.318 PRESSAVG: 3527600 -8.11737 49.9508 -31.6276 49.9508 -74.6275 -63.158 -31.6275 -63.158 95.6187 GPRESSAVG: 3527600 -8.62918 49.9643 -33.4948 51.0251 -75.2951 -63.7211 -28.5404 -61.8833 96.2279 TIMING: 3527600 CPU: 10223.7, 0.00288523/step Wall: 10223.7, 0.00288524/step, 1.18006 hours remaining, 211.375000 MB of memory in use. ENERGY: 3527600 744.2694 2076.8358 1946.2686 103.6476 -206583.0329 17872.3683 0.0000 0.0000 34206.6624 -149632.9807 298.7353 -183839.6432 -149533.6162 297.9796 34.8224 66.8133 556967.9345 4.2913 4.1012 PRESSURE: 3527800 253.064 133.741 -54.1634 133.742 1.74479 -25.6045 -54.1631 -25.6047 -11.1924 GPRESSURE: 3527800 225.183 66.1371 -78.722 106.57 83.5245 9.24021 -122.828 -20.0234 22.8818 PRESSAVG: 3527800 25.2385 -19.0028 -23.0922 -19.0028 -20.4805 -36.5332 -23.0921 -36.5332 -3.58037 GPRESSAVG: 3527800 24.0977 -17.3901 -25.0675 -21.6807 -20.8023 -36.5783 -22.5649 -38.5802 -1.93966 TIMING: 3527800 CPU: 10224.3, 0.00287473/step Wall: 10224.3, 0.00287473/step, 1.1756 hours remaining, 211.375000 MB of memory in use. ENERGY: 3527800 733.3998 2147.1370 1956.4955 105.2302 -206579.1636 17858.4739 0.0000 0.0000 34154.1452 -149624.2821 298.2766 -183778.4272 -149531.2043 298.3934 81.2055 110.5299 556143.5995 0.3926 0.4519 PRESSURE: 3528000 205.348 -119.628 -18.2476 -119.629 212.972 58.9666 -18.2469 58.9676 91.9824 GPRESSURE: 3528000 203.686 -166.076 46.7854 -23.2847 250.538 -35.4155 -87.6597 27.7703 143.239 PRESSAVG: 3528000 8.87305 -42.5038 20.4436 -42.5038 33.5324 2.29094 20.4436 2.29095 1.63245 GPRESSAVG: 3528000 10.9039 -45.4802 23.2461 -40.1228 33.7688 2.52856 18.623 3.25348 -0.467708 TIMING: 3528000 CPU: 10224.9, 0.00289042/step Wall: 10224.9, 0.00289042/step, 1.18186 hours remaining, 211.375000 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: 3528000 739.1632 2114.4913 1917.5628 101.2658 -206852.8080 18161.9762 0.0000 0.0000 34303.0089 -149515.3398 299.5767 -183818.3487 -149419.7754 298.8652 170.1008 199.1543 557630.2098 14.6793 14.7350 PRESSURE: 3528200 -264.092 -124.775 51.9292 -124.776 -53.8604 -5.49719 51.9287 -5.49883 -169.975 GPRESSURE: 3528200 -200.98 -246.812 86.9438 -73.7567 -17.6315 -30.8935 43.3684 11.3134 -174.673 PRESSAVG: 3528200 -26.54 2.97741 -21.0606 2.97749 -10.9234 31.169 -21.0606 31.1691 19.8857 GPRESSAVG: 3528200 -26.5719 2.95547 -20.3463 5.87973 -11.2429 29.9474 -21.1024 31.1315 20.5874 TIMING: 3528200 CPU: 10225.5, 0.00287666/step Wall: 10225.5, 0.00287666/step, 1.17607 hours remaining, 211.375000 MB of memory in use. ENERGY: 3528200 737.7191 2069.8735 1989.3343 121.0581 -206478.0769 17777.3742 0.0000 0.0000 34258.7769 -149523.9408 299.1904 -183782.7177 -149428.6800 298.6841 -162.6422 -131.0949 559332.5661 -5.8593 -5.7425 LDB: ============= START OF LOAD BALANCING ============== 10228.8 LDB: ============== END OF LOAD BALANCING =============== 10228.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10228.8 LDB: ============= START OF LOAD BALANCING ============== 10229.1 LDB: Largest compute 4792 load 0.029524 is 25.0% of average load 0.118057 LDB: Average compute 0.001734 is 1.5% of average load 0.118057 LDB: TIME 10229.1 LOAD: AVG 0.118057 MAX 0.179774 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.18 MB LDB: TIME 10229.1 LOAD: AVG 0.118057 MAX 0.179774 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.25 MB LDB: TIME 10229.1 LOAD: AVG 0.118057 MAX 0.179774 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.25 MB LDB: ============== END OF LOAD BALANCING =============== 10229.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10229.1 PRESSURE: 3528400 -56.0791 -7.78828 -33.0724 -7.79068 56.2422 -26.145 -33.0723 -26.1452 -26.8536 GPRESSURE: 3528400 -19.9183 29.8383 41.9003 -3.02141 80.538 63.5416 -39.0645 -66.2701 11.6824 PRESSAVG: 3528400 23.4379 -35.8306 -37.7181 -35.8306 58.2039 -15.0127 -37.7181 -15.0126 -55.5065 GPRESSAVG: 3528400 22.2995 -33.1223 -37.855 -40.5108 58.6678 -14.3824 -38.471 -17.2285 -54.884 TIMING: 3528400 CPU: 10226, 0.0029151/step Wall: 10226, 0.0029151/step, 1.19163 hours remaining, 210.468750 MB of memory in use. ENERGY: 3528400 725.3216 2089.0015 1936.3292 103.4714 -206705.8771 18018.7018 0.0000 0.0000 34341.8044 -149491.2471 299.9155 -183833.0515 -149397.6891 298.5590 -8.8968 24.1007 557057.9784 8.7118 8.6945 PRESSURE: 3528600 141.557 40.1829 116.371 40.184 148.337 -70.8336 116.371 -70.8341 1.9121 GPRESSURE: 3528600 158.69 127.941 172.091 39.3014 186.072 -50.465 95.3023 -62.6501 37.7884 PRESSAVG: 3528600 -23.8847 -6.94192 11.9021 -6.94194 36.8469 6.92995 11.9021 6.92992 9.38459 GPRESSAVG: 3528600 -23.3509 -7.31567 13.0364 -4.42296 37.4892 7.30906 11.497 9.21245 8.32634 TIMING: 3528600 CPU: 10226.6, 0.00288162/step Wall: 10226.6, 0.00288162/step, 1.17778 hours remaining, 210.468750 MB of memory in use. ENERGY: 3528600 679.3664 2035.2338 1943.8907 118.1520 -206235.4124 17881.5839 0.0000 0.0000 34275.4967 -149301.6889 299.3364 -183577.1856 -149202.5353 299.0374 97.2686 127.5168 557785.9049 7.4489 7.4882 PRESSURE: 3528800 -208.462 -139.751 -176.021 -139.75 -266.503 23.8886 -176.021 23.8868 -147.824 GPRESSURE: 3528800 -193.352 -147.233 -123.93 -137.141 -220.213 -11.6274 -197.503 -21.9984 -105.933 PRESSAVG: 3528800 -2.72839 -35.1067 -22.378 -35.1068 -18.3644 34.6881 -22.378 34.6882 -11.7306 GPRESSAVG: 3528800 -2.13602 -33.2363 -22.6409 -37.9889 -19.995 34.7573 -20.2022 35.0553 -10.1271 TIMING: 3528800 CPU: 10227.2, 0.00287242/step Wall: 10227.2, 0.00287242/step, 1.17386 hours remaining, 210.468750 MB of memory in use. ENERGY: 3528800 780.7480 2033.3530 1959.7379 112.4807 -206026.3707 17628.8640 0.0000 0.0000 34161.7277 -149349.4595 298.3429 -183511.1871 -149251.5215 298.9075 -207.5964 -173.1661 556971.6432 -10.9411 -10.7527 PRESSURE: 3529000 83.7978 40.7603 197.68 40.7615 -109.431 -64.226 197.681 -64.2263 -57.5053 GPRESSURE: 3529000 87.8948 6.24679 218.072 50.8059 -63.2481 -69.0433 77.7166 -107.499 -22.1116 PRESSAVG: 3529000 24.7485 12.5562 -65.7197 12.5562 3.06758 50.3507 -65.7197 50.3508 -45.6707 GPRESSAVG: 3529000 24.9303 11.8704 -67.9147 12.0955 3.17728 49.8491 -65.0196 49.9818 -46.2259 TIMING: 3529000 CPU: 10227.8, 0.00288032/step Wall: 10227.8, 0.00288032/step, 1.17693 hours remaining, 210.468750 MB of memory in use. ENERGY: 3529000 761.9822 2122.8712 1943.8485 119.7793 -206219.1731 17847.5144 0.0000 0.0000 34334.4886 -149088.6889 299.8516 -183423.1775 -148995.7009 299.0875 -27.7128 0.8450 557518.7537 -5.9515 -6.0394 PRESSURE: 3529200 -67.1424 120.566 118.183 120.566 -27.9748 10.5445 118.183 10.5441 -142.018 GPRESSURE: 3529200 13.4975 102.639 146.327 75.5037 -23.311 85.618 108.998 -43.3497 -132.972 PRESSAVG: 3529200 20.0419 6.23046 5.57714 6.23048 -22.0519 -31.1544 5.57715 -31.1545 -15.9672 GPRESSAVG: 3529200 19.5132 5.77351 7.04167 7.46479 -21.9803 -30.4264 4.37305 -30.8352 -15.778 TIMING: 3529200 CPU: 10228.3, 0.0028982/step Wall: 10228.3, 0.0028982/step, 1.18408 hours remaining, 210.468750 MB of memory in use. ENERGY: 3529200 739.4825 2073.9824 1971.3261 122.3242 -205604.8268 17413.0929 0.0000 0.0000 34219.5707 -149065.0480 298.8480 -183284.6187 -148965.8605 299.4848 -79.0451 -47.5952 555957.8233 -5.9924 -6.0817 PRESSURE: 3529400 -335.909 33.9855 -49.5411 33.9862 -122.215 -52.6132 -49.5413 -52.6119 -23.6567 GPRESSURE: 3529400 -328.372 34.9917 -121.06 90.4429 -46.882 -97.6525 -79.8462 -79.9399 -13.4996 PRESSAVG: 3529400 -1.56137 -7.10407 -26.4405 -7.10406 -4.98882 30.6289 -26.4406 30.6288 25.1405 GPRESSAVG: 3529400 -1.98302 -8.52096 -26.6019 -6.68979 -3.99405 29.4354 -26.4254 28.9144 24.5796 TIMING: 3529400 CPU: 10228.9, 0.00288529/step Wall: 10228.9, 0.00288529/step, 1.17864 hours remaining, 210.468750 MB of memory in use. ENERGY: 3529400 759.5093 2096.4475 1945.6352 101.2437 -205994.0368 17605.2618 0.0000 0.0000 34323.1680 -149162.7713 299.7528 -183485.9393 -149065.0105 299.5759 -160.5934 -129.5844 557083.5171 6.1968 6.2008 PRESSURE: 3529600 -197.854 -33.7846 36.5334 -33.7845 51.5997 79.4309 36.535 79.4323 -131.108 GPRESSURE: 3529600 -103.458 -27.4597 49.577 0.779058 119.257 72.1734 -10.1726 26.2021 -177.036 PRESSAVG: 3529600 -82.8367 -14.7848 -19.2 -14.7847 2.45555 22.8942 -19.2 22.8942 59.0117 GPRESSAVG: 3529600 -82.4654 -14.6453 -17.6061 -13.1866 2.39984 24.3343 -19.4695 25.0108 58.4752 TIMING: 3529600 CPU: 10229.5, 0.00289086/step Wall: 10229.5, 0.00289085/step, 1.18075 hours remaining, 210.468750 MB of memory in use. ENERGY: 3529600 771.3429 2092.6716 1958.1051 123.9863 -205929.5605 17648.5934 0.0000 0.0000 34119.0244 -149215.8367 297.9699 -183334.8612 -149120.9755 298.9803 -92.4542 -53.7458 556476.5315 -7.1231 -7.1968 PRESSURE: 3529800 98.2548 83.6112 -66.305 83.6105 -79.0751 22.8451 -66.3049 22.8439 0.885145 GPRESSURE: 3529800 199.684 54.3969 -105.954 106.01 -74.9531 -49.5633 -68.7487 90.6271 12.1923 PRESSAVG: 3529800 -20.3939 48.2786 23.2586 48.2786 41.0904 -18.4029 23.2585 -18.4029 17.4721 GPRESSAVG: 3529800 -19.4733 49.5019 21.7315 46.1229 38.9386 -16.8918 22.9298 -20.0931 18.8735 TIMING: 3529800 CPU: 10230.1, 0.00288447/step Wall: 10230.1, 0.00288448/step, 1.17799 hours remaining, 210.468750 MB of memory in use. ENERGY: 3529800 722.4723 2085.7140 1931.0745 106.7440 -206297.5660 17928.3905 0.0000 0.0000 34310.6006 -149212.5701 299.6430 -183523.1707 -149104.9847 299.0434 6.6883 45.6409 557150.4770 12.7229 12.7796 PRESSURE: 3530000 -62.0923 -44.1169 2.67937 -44.1166 -77.7042 -4.17934 2.67853 -4.17967 -175.785 GPRESSURE: 3530000 -38.1833 39.2039 -5.17174 11.3901 34.2759 -8.26377 -2.70167 81.3422 -204.129 PRESSAVG: 3530000 20.9777 25.169 -13.7353 25.169 -33.1453 -4.82444 -13.7354 -4.82441 -3.22649 GPRESSAVG: 3530000 20.5791 26.0006 -12.1316 25.2568 -33.2864 -6.21836 -15.0498 -4.86694 -2.62096 TIMING: 3530000 CPU: 10230.7, 0.00290944/step Wall: 10230.7, 0.00290944/step, 1.18802 hours remaining, 210.468750 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: 3530000 724.8154 2113.6995 1923.2979 115.1793 -206157.3771 17780.7582 0.0000 0.0000 34222.0525 -149277.5743 298.8697 -183499.6268 -149177.1121 299.1063 -105.1940 -69.3456 559555.4169 -5.1314 -5.1094 PRESSURE: 3530200 -32.7296 194.17 -47.9027 194.17 90.4299 32.2807 -47.9036 32.281 347.281 GPRESSURE: 3530200 -6.92087 251.702 -101.039 139.69 147.885 20.8014 -23.1705 38.6717 358.262 PRESSAVG: 3530200 -54.9287 54.6666 14.2369 54.6666 13.1224 -34.2416 14.2369 -34.2416 -6.27148 GPRESSAVG: 3530200 -55.6188 53.0419 13.7515 55.1185 14.3 -35.0816 14.569 -32.5106 -7.02588 TIMING: 3530200 CPU: 10231.2, 0.0029098/step Wall: 10231.2, 0.0029098/step, 1.18801 hours remaining, 210.468750 MB of memory in use. ENERGY: 3530200 713.7617 2043.9649 1957.9708 111.0407 -206186.1351 18018.5551 0.0000 0.0000 34007.4613 -149333.3806 296.9956 -183340.8419 -149232.9423 298.5372 134.9937 166.4086 558045.2927 -16.0259 -16.1149 PRESSURE: 3530400 -187.489 64.7969 -6.64144 64.7978 -21.1786 69.0575 -6.64161 69.0582 79.7181 GPRESSURE: 3530400 -144.272 145.061 3.55248 71.4255 20.7063 13.5573 -84.5577 69.2356 85.5661 PRESSAVG: 3530400 -32.5879 57.2122 46.4179 57.2123 -27.3378 -5.32426 46.4178 -5.32431 59.1049 GPRESSAVG: 3530400 -31.5994 57.1352 45.7806 56.6 -28.0185 -4.72977 45.1901 -6.61664 58.6096 TIMING: 3530400 CPU: 10231.8, 0.00289877/step Wall: 10231.8, 0.00289877/step, 1.18334 hours remaining, 210.468750 MB of memory in use. ENERGY: 3530400 737.9032 2101.3736 1971.7720 124.1508 -206308.1108 17859.1813 0.0000 0.0000 34068.7891 -149444.9408 297.5312 -183513.7300 -149350.6951 298.2244 -42.9831 -12.6666 559219.0399 -0.2736 -0.3361 PRESSURE: 3530600 103.342 165.336 -45.1822 165.336 -60.2403 87.0173 -45.1821 87.017 -113.445 GPRESSURE: 3530600 135.046 141.219 -68.6204 176.331 -26.603 86.7293 9.55935 120.042 -77.4167 PRESSAVG: 3530600 -34.3076 19.4624 4.52364 19.4624 12.8539 -5.13726 4.52367 -5.13715 21.8585 GPRESSAVG: 3530600 -35.3908 20.6768 6.32223 19.2662 13.2054 -5.45699 6.36276 -4.3688 22.9035 TIMING: 3530600 CPU: 10232.4, 0.00289494/step Wall: 10232.4, 0.00289494/step, 1.18162 hours remaining, 210.468750 MB of memory in use. ENERGY: 3530600 709.1701 2102.4925 1929.2261 118.8771 -206091.4500 17841.9485 0.0000 0.0000 33908.7328 -149481.0029 296.1334 -183389.7357 -149386.4023 297.9571 -23.4477 10.3421 558311.9497 0.1349 0.2394 PRESSURE: 3530800 109.366 -35.8649 -47.2874 -35.8642 -47.4191 -13.3005 -47.2885 -13.2991 69.5943 GPRESSURE: 3530800 126.874 -136.082 -80.8194 -64.9432 -46.8457 -58.5579 -82.5947 -9.46187 152.033 PRESSAVG: 3530800 -33.2477 70.4903 -9.14456 70.4904 22.1362 27.4732 -9.14456 27.4733 -0.941653 GPRESSAVG: 3530800 -32.583 68.9972 -11.0119 70.7952 21.2991 24.6858 -9.80494 28.2961 -0.905883 TIMING: 3530800 CPU: 10233, 0.00292266/step Wall: 10233, 0.00292266/step, 1.19277 hours remaining, 210.468750 MB of memory in use. ENERGY: 3530800 730.1873 2021.9770 1949.3216 110.4811 -206539.9922 18098.0371 0.0000 0.0000 34283.2085 -149346.7796 299.4038 -183629.9881 -149249.7357 298.2261 43.8472 77.3536 557963.9438 -4.0177 -4.0633 PRESSURE: 3531000 216.447 27.9265 76.0674 27.9258 74.4466 -132.561 76.0689 -132.56 9.76856 GPRESSURE: 3531000 232.627 125.577 100.403 27.9616 218.701 -104.095 98.2164 -113.894 -54.8332 PRESSAVG: 3531000 -24.153 113.416 4.74051 113.416 -4.2172 24.1764 4.74052 24.1765 -25.4582 GPRESSAVG: 3531000 -23.9003 115.662 4.15674 111.696 -3.31761 25.2662 5.44259 23.5611 -26.4628 TIMING: 3531000 CPU: 10233.6, 0.00292921/step Wall: 10233.6, 0.00292921/step, 1.19528 hours remaining, 210.468750 MB of memory in use. ENERGY: 3531000 710.4268 2111.6430 1900.9340 103.2936 -206341.2129 17953.9611 0.0000 0.0000 34214.1996 -149346.7549 298.8011 -183560.9545 -149246.7530 298.0695 100.2208 132.1647 558130.4820 -17.9428 -17.8936 PRESSURE: 3531200 -58.9806 85.7947 37.3394 85.7951 -95.4159 128.845 37.3392 128.844 -61.2346 GPRESSURE: 3531200 -46.9473 121.907 68.8476 63.3968 -32.6621 72.6155 -32.8793 173.738 -58.4471 PRESSAVG: 3531200 -64.7552 63.3373 59.3812 63.3373 49.1902 13.3737 59.3811 13.3738 45.0915 GPRESSAVG: 3531200 -65.4149 61.2674 60.2405 63.5019 48.4723 11.0678 59.1192 15.4076 45.6138 TIMING: 3531200 CPU: 10234.2, 0.00291169/step Wall: 10234.2, 0.00291169/step, 1.18797 hours remaining, 210.468750 MB of memory in use. ENERGY: 3531200 736.3935 2143.9526 1961.8193 114.0152 -206050.1224 17679.5125 0.0000 0.0000 34041.4783 -149372.9510 297.2927 -183414.4293 -149278.4112 298.0755 -71.8771 -46.0188 557813.4815 9.8422 9.5570 PRESSURE: 3531400 -324.612 1.70575 -179.814 1.70518 -25.3369 68.3363 -179.813 68.3372 -200.141 GPRESSURE: 3531400 -311.916 -32.0779 -227.352 16.2092 -12.8899 122.422 -178.08 99.0076 -135.453 PRESSAVG: 3531400 7.35995 -15.661 -31.2729 -15.661 45.9068 34.4927 -31.2729 34.4925 -68.6301 GPRESSAVG: 3531400 7.84229 -15.7162 -30.7413 -14.8749 45.9637 37.005 -31.2561 34.878 -69.4576 TIMING: 3531400 CPU: 10234.7, 0.00293092/step Wall: 10234.7, 0.00293092/step, 1.19565 hours remaining, 210.468750 MB of memory in use. ENERGY: 3531400 754.7175 2118.0838 1934.5563 115.8224 -206145.7566 17534.9940 0.0000 0.0000 34180.3970 -149507.1855 298.5059 -183687.5825 -149414.6322 298.4070 -183.3633 -153.4195 557593.2600 -5.1211 -5.2172 PRESSURE: 3531600 -23.6388 57.7551 83.913 57.7552 103.074 -8.49507 83.9119 -8.4946 89.6084 GPRESSURE: 3531600 65.6265 46.6076 120.606 147.144 114.942 -7.3571 53.4763 -3.27534 95.0861 PRESSAVG: 3531600 68.268 -49.0723 -1.72207 -49.0724 44.6065 4.16534 -1.72204 4.16541 -100.4 GPRESSAVG: 3531600 67.6414 -49.5114 -1.53775 -47.9338 45.397 3.55147 -3.10494 3.23043 -100.059 TIMING: 3531600 CPU: 10235.3, 0.0028909/step Wall: 10235.3, 0.0028909/step, 1.17916 hours remaining, 210.468750 MB of memory in use. ENERGY: 3531600 761.5053 2095.5947 1940.7843 122.5220 -206179.9925 17857.5259 0.0000 0.0000 33908.6106 -149493.4498 296.1323 -183402.0604 -149402.6882 298.3580 56.3478 91.8850 556522.1674 4.1580 4.3265 PRESSURE: 3531800 125.166 -114.951 -14.6591 -114.951 -191.15 -41.1533 -14.6592 -41.1529 -120.836 GPRESSURE: 3531800 184.903 -38.7181 -26.6716 -238.302 -215.324 -16.4042 -45.4769 -54.0148 -60.2738 PRESSAVG: 3531800 76.8055 -34.8189 19.4456 -34.8189 -54.5184 -4.33923 19.4456 -4.33943 -27.1533 GPRESSAVG: 3531800 77.7432 -33.5115 18.822 -36.2202 -53.7191 -3.18592 20.6743 -2.48751 -28.8283 TIMING: 3531800 CPU: 10235.9, 0.0028684/step Wall: 10235.9, 0.0028684/step, 1.16983 hours remaining, 210.468750 MB of memory in use. ENERGY: 3531800 737.2808 2096.1975 1937.4777 118.9364 -206064.8694 17746.4895 0.0000 0.0000 34043.6853 -149384.8022 297.3120 -183428.4875 -149288.6314 298.8179 -62.2733 -30.2316 557482.6273 -1.6220 -1.6014 PRESSURE: 3532000 -67.1859 80.5887 -3.48363 80.5899 -293 26.5577 -3.48303 26.5575 -124.068 GPRESSURE: 3532000 -60.8127 55.9237 46.1597 84.8408 -268.278 17.5725 -30.2527 -12.1152 -59.5027 PRESSAVG: 3532000 -16.3118 -6.24824 35.6553 -6.24821 -47.6231 34.3964 35.6554 34.3964 33.5008 GPRESSAVG: 3532000 -17.3332 -5.39098 35.6521 -4.83336 -48.5499 34.3255 36.6045 33.0368 35.4109 TIMING: 3532000 CPU: 10236.5, 0.00286206/step Wall: 10236.5, 0.00286206/step, 1.16708 hours remaining, 210.468750 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: 3532000 744.5308 2084.0655 1949.3101 103.9657 -206410.9464 17662.0625 0.0000 0.0000 34496.8637 -149370.1482 301.2697 -183867.0119 -149271.9098 299.3583 -161.4180 -129.5311 557569.3661 -10.1447 -10.1574 PRESSURE: 3532200 55.9034 -42.7439 26.3685 -42.7441 -270.884 -135 26.3689 -134.997 -350.015 GPRESSURE: 3532200 75.5591 -43.1275 8.18105 27.2397 -247.755 -182.028 67.4094 -159.787 -303.257 PRESSAVG: 3532200 20.4226 -22.2415 12.6296 -22.2413 -37.8316 -28.2478 12.6295 -28.2477 52.4203 GPRESSAVG: 3532200 20.288 -22.8449 12.293 -22.643 -37.0954 -28.7176 10.5451 -28.4483 52.4197 TIMING: 3532200 CPU: 10237, 0.002877/step Wall: 10237, 0.002877/step, 1.17302 hours remaining, 210.468750 MB of memory in use. ENERGY: 3532200 782.9343 2072.0531 1961.1369 117.7671 -206297.4138 17674.9560 0.0000 0.0000 34446.3985 -149242.1678 300.8290 -183688.5663 -149147.8771 299.3161 -188.3318 -158.4843 557044.4986 11.6704 11.8708 LDB: ============= START OF LOAD BALANCING ============== 10240.4 LDB: ============== END OF LOAD BALANCING =============== 10240.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10240.4 LDB: ============= START OF LOAD BALANCING ============== 10240.7 LDB: Largest compute 4792 load 0.028961 is 24.5% of average load 0.118026 LDB: Average compute 0.001736 is 1.5% of average load 0.118026 LDB: TIME 10240.7 LOAD: AVG 0.118026 MAX 0.17786 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 10240.7 LOAD: AVG 0.118026 MAX 0.17786 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 10240.7 LOAD: AVG 0.118026 MAX 0.17786 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: ============== END OF LOAD BALANCING =============== 10240.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10240.7 PRESSURE: 3532400 27.7376 35.6089 -102.879 35.6083 129.574 -122.465 -102.88 -122.465 27.3343 GPRESSURE: 3532400 82.9731 -40.2456 -70.2213 84.4061 171.436 -166.271 -40.3988 -73.3768 35.1208 PRESSAVG: 3532400 -14.2901 -33.6245 11.8256 -33.6244 -34.5927 -10.0256 11.8256 -10.0254 9.17995 GPRESSAVG: 3532400 -14.6343 -33.8032 12.9989 -33.2856 -34.463 -10.1676 12.1921 -11.2224 9.37493 TIMING: 3532400 CPU: 10237.6, 0.00294597/step Wall: 10237.6, 0.00294597/step, 1.20097 hours remaining, 209.328125 MB of memory in use. ENERGY: 3532400 725.0601 2119.3623 1937.7512 123.5476 -206182.7084 17803.4793 0.0000 0.0000 34213.6000 -149259.9079 298.7959 -183473.5079 -149162.4871 299.4608 61.5487 96.5100 556280.4409 -13.2343 -13.2408 PRESSURE: 3532600 304.607 -32.1864 6.59377 -32.1865 77.227 1.71728 6.5942 1.71782 -188.613 GPRESSURE: 3532600 356.482 -58.3031 36.7627 28.742 63.4958 49.1774 -18.859 -65.8619 -131.753 PRESSAVG: 3532600 22.722 -24.3044 0.490882 -24.3044 16.3141 72.0646 0.490909 72.0645 -39.6906 GPRESSAVG: 3532600 22.4658 -25.0232 0.272201 -22.9533 16.665 72.4345 0.636631 72.7305 -39.256 TIMING: 3532600 CPU: 10238.2, 0.00287634/step Wall: 10238.2, 0.00287634/step, 1.17243 hours remaining, 209.328125 MB of memory in use. ENERGY: 3532600 748.9612 2125.2244 1916.1708 122.9641 -206279.9040 18042.6424 0.0000 0.0000 34323.7320 -149000.2090 299.7577 -183323.9411 -148912.6335 299.5528 64.4068 96.0750 558962.6881 -0.2182 -0.0418 PRESSURE: 3532800 13.9357 -14.5228 25.9223 -14.5228 -160.744 75.1072 25.9213 75.1059 -186.719 GPRESSURE: 3532800 74.558 22.3429 92.5102 -74.084 -154.456 42.5226 18.4389 53.4019 -144.061 PRESSAVG: 3532800 -17.2369 19.2413 -6.37999 19.2412 42.4727 20.6871 -6.37992 20.6871 -1.32227 GPRESSAVG: 3532800 -16.3118 19.431 -8.7196 17.0942 41.4279 19.5143 -5.58559 22.8067 -1.09452 TIMING: 3532800 CPU: 10238.8, 0.00287348/step Wall: 10238.8, 0.00287348/step, 1.1711 hours remaining, 209.328125 MB of memory in use. ENERGY: 3532800 736.1564 2066.2912 1938.1742 103.2164 -205788.9772 17695.9056 0.0000 0.0000 34224.2659 -149024.9675 298.8890 -183249.2334 -148935.6804 300.3785 -111.1757 -74.6530 559261.6578 7.9712 8.0072 PRESSURE: 3533000 215.66 -194.434 -51.756 -194.434 429.553 -9.82815 -51.7561 -9.82688 226.322 GPRESSURE: 3533000 220.056 -14.3333 -64.8674 -289.835 428.599 16.6699 -70.6048 -43.8225 311.588 PRESSAVG: 3533000 -32.6637 -26.7704 28.6733 -26.7704 19.6351 37.0956 28.6734 37.0956 -22.0791 GPRESSAVG: 3533000 -31.9437 -28.5617 28.1817 -24.5925 19.668 37.3693 28.4613 36.4141 -22.4511 TIMING: 3533000 CPU: 10239.4, 0.00287361/step Wall: 10239.4, 0.00287361/step, 1.171 hours remaining, 209.328125 MB of memory in use. ENERGY: 3533000 756.7666 2046.5964 1949.0128 117.0394 -206321.5928 18079.5882 0.0000 0.0000 34455.2085 -148917.3810 300.9059 -183372.5895 -148821.3462 300.5774 290.5119 320.0809 556908.0820 -11.7026 -11.5756 PRESSURE: 3533200 145.006 -63.1485 -12.1159 -63.1473 -103.297 175.782 -12.1154 175.781 28.2003 GPRESSURE: 3533200 213.569 -23.1265 -2.14302 -91.4967 -94.1877 85.5245 75.1837 292.68 46.2366 PRESSAVG: 3533200 -6.76186 30.453 13.7195 30.4531 -7.75274 12.0949 13.7195 12.095 42.71 GPRESSAVG: 3533200 -8.15769 33.1504 15.7641 27.5415 -6.84705 12.0848 11.7848 12.7774 42.9865 TIMING: 3533200 CPU: 10239.9, 0.00286506/step Wall: 10239.9, 0.00286506/step, 1.16735 hours remaining, 209.328125 MB of memory in use. ENERGY: 3533200 765.0044 2063.9537 1947.3696 99.3103 -206018.9164 17721.7772 0.0000 0.0000 34406.0752 -149015.4260 300.4768 -183421.5012 -148914.5644 300.2764 23.3032 55.2059 556526.0230 9.3985 9.3272 PRESSURE: 3533400 -367.045 157.421 6.25155 157.42 -105.679 56.8923 6.25086 56.8911 -44.5113 GPRESSURE: 3533400 -255.346 85.6954 7.97864 192.444 -101.381 9.68555 -21.1234 63.1347 -75.0665 PRESSAVG: 3533400 51.7801 10.9959 -24.6592 10.996 -20.3434 26.5929 -24.6593 26.5929 -12.5571 GPRESSAVG: 3533400 52.4574 8.58309 -25.6361 12.7681 -21.4698 26.5029 -25.0915 24.2455 -12.1796 TIMING: 3533400 CPU: 10240.5, 0.00288563/step Wall: 10240.5, 0.00288563/step, 1.17557 hours remaining, 209.328125 MB of memory in use. ENERGY: 3533400 762.0277 2065.9054 1941.5820 102.6753 -205877.7230 17513.4020 0.0000 0.0000 34670.3347 -148821.7958 302.7847 -183492.1306 -148725.7092 300.0826 -172.4116 -143.9311 557804.9907 6.2932 6.2693 PRESSURE: 3533600 -197.374 -125.696 30.4802 -125.697 -227.761 -1.71655 30.4798 -1.71578 -483.856 GPRESSURE: 3533600 -165.349 -171.663 55.8733 -87.4917 -245.07 -44.6175 55.4822 21.222 -398.675 PRESSAVG: 3533600 17.7569 -17.9531 30.9453 -17.953 -33.681 27.1546 30.9452 27.1545 20.2335 GPRESSAVG: 3533600 17.8835 -18.5249 31.9272 -20.0225 -33.7254 27.9614 31.6422 26.8951 19.7881 TIMING: 3533600 CPU: 10241.1, 0.00286226/step Wall: 10241.1, 0.00286226/step, 1.16589 hours remaining, 209.328125 MB of memory in use. ENERGY: 3533600 764.8879 2098.7645 1958.8580 113.8368 -205309.6320 17142.5490 0.0000 0.0000 34401.0016 -148829.7342 300.4325 -183230.7359 -148736.2133 300.6502 -302.9969 -269.6980 558446.3667 1.4365 1.3154 PRESSURE: 3533800 -108.098 192.261 68.4829 192.262 -105.209 -182.397 68.4845 -182.398 -190.365 GPRESSURE: 3533800 -104.249 180.517 59.5971 124.238 -68.9085 -183.027 -69.6281 -110.265 -150.737 PRESSAVG: 3533800 -9.27178 9.28071 -13.1145 9.28081 21.874 -2.70654 -13.1146 -2.70668 -8.70113 GPRESSAVG: 3533800 -8.55217 10.6121 -16.2555 10.0916 23.2903 -2.2075 -14.3847 -3.87653 -10.2032 TIMING: 3533800 CPU: 10241.7, 0.00289431/step Wall: 10241.7, 0.00289431/step, 1.17879 hours remaining, 209.328125 MB of memory in use. ENERGY: 3533800 774.6592 2012.3067 1961.0630 117.9368 -205592.7562 17576.0686 0.0000 0.0000 34433.6115 -148717.1104 300.7173 -183150.7218 -148620.8916 300.4710 -134.5576 -107.9649 558580.7886 1.3004 1.5117 PRESSURE: 3534000 13.6439 -13.388 -50.4926 -13.3871 47.5486 31.1836 -50.4903 31.1845 45.7137 GPRESSURE: 3534000 -32.1683 -45.6997 1.98095 56.9804 132.072 95.011 -92.5562 44.2293 103.253 PRESSAVG: 3534000 6.68844 19.2822 -27.2052 19.2822 32.9714 -9.24573 -27.2053 -9.24578 -24.4051 GPRESSAVG: 3534000 6.28843 16.8523 -25.1049 20.7248 33.3941 -10.1203 -26.3792 -8.11288 -24.4252 TIMING: 3534000 CPU: 10242.2, 0.00288618/step Wall: 10242.2, 0.00288618/step, 1.17532 hours remaining, 209.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3534000 788.1463 2039.2853 1950.7096 114.1977 -205963.3392 17880.9508 0.0000 0.0000 34460.8078 -148729.2416 300.9548 -183190.0494 -148640.0196 301.4753 35.6354 67.7190 557167.2130 5.0849 5.0858 PRESSURE: 3534200 -179.504 -15.8671 -51.7377 -15.868 -122.09 -199.866 -51.738 -199.864 172.203 GPRESSURE: 3534200 -99.0359 -40.7208 -69.3385 71.375 -126.634 -135.486 -68.969 -225.112 192.622 PRESSAVG: 3534200 -30.7771 51.2115 -35.1075 51.2116 -40.4392 -18.2047 -35.1074 -18.2047 66.742 GPRESSAVG: 3534200 -30.9695 53.1463 -36.0143 51.1884 -41.4197 -18.3741 -34.0887 -17.4881 67.6941 TIMING: 3534200 CPU: 10242.8, 0.00289035/step Wall: 10242.8, 0.00289035/step, 1.17686 hours remaining, 209.328125 MB of memory in use. ENERGY: 3534200 764.7392 2109.6346 1959.3981 106.6689 -205750.4734 17725.5110 0.0000 0.0000 34344.6640 -148739.8575 299.9405 -183084.5215 -148643.8745 301.3679 -43.1299 -11.0162 558297.0895 -1.4914 -1.5650 PRESSURE: 3534400 -80.9354 -162.984 -36.0721 -162.984 -174.848 -195.694 -36.0713 -195.694 -55.6386 GPRESSURE: 3534400 42.367 -177.088 -56.0479 -145.404 -181.819 -220.295 12.9282 -247.212 -73.458 PRESSAVG: 3534400 28.0449 -20.1975 9.45478 -20.1976 -94.3837 -66.6281 9.45482 -66.628 95.4485 GPRESSAVG: 3534400 27.5656 -19.9485 9.42757 -21.8813 -94.6054 -64.5257 9.26919 -67.0463 95.757 TIMING: 3534400 CPU: 10243.4, 0.00289192/step Wall: 10243.4, 0.00289192/step, 1.17733 hours remaining, 209.328125 MB of memory in use. ENERGY: 3534400 761.3550 2093.2298 1966.0960 105.6126 -205910.7730 17639.2046 0.0000 0.0000 34500.3232 -148844.9517 301.2999 -183345.2750 -148746.9048 300.5047 -103.8072 -70.9698 558683.6771 9.7033 9.5724 PRESSURE: 3534600 171.253 142.178 68.9745 142.178 -135.183 87.6404 68.9737 87.6403 -275.737 GPRESSURE: 3534600 120.1 100.779 121.944 161.093 -99.8432 86.2742 77.6514 112.505 -159.391 PRESSAVG: 3534600 46.2081 38.4846 37.777 38.4847 2.41065 5.87766 37.777 5.87777 -58.9961 GPRESSAVG: 3534600 46.0673 38.3869 39.03 38.8889 3.41995 2.70025 38.4153 5.29447 -60.144 TIMING: 3534600 CPU: 10244, 0.00289585/step Wall: 10244, 0.00289585/step, 1.17877 hours remaining, 209.328125 MB of memory in use. ENERGY: 3534600 767.0146 2070.4510 1952.8381 106.8823 -206207.8996 17651.8511 0.0000 0.0000 34651.2708 -149007.5917 302.6182 -183658.8626 -148915.4129 300.6465 -79.8887 -46.3782 556661.9740 -3.4591 -3.5523 PRESSURE: 3534800 -81.1541 350.751 -70.6508 350.751 -146.675 34.6553 -70.6503 34.6562 -128.679 GPRESSURE: 3534800 -42.1424 356.115 -30.8808 293.565 -127.251 56.658 -137.678 -81.6596 -78.7233 PRESSAVG: 3534800 25.4729 69.2042 30.2452 69.2041 -27.0474 1.20881 30.2452 1.20893 -47.169 GPRESSAVG: 3534800 26.2937 68.1786 29.8787 72.0528 -26.8008 1.44281 30.9094 2.23997 -47.4925 TIMING: 3534800 CPU: 10244.6, 0.00290663/step Wall: 10244.6, 0.00290663/step, 1.183 hours remaining, 209.328125 MB of memory in use. ENERGY: 3534800 751.3194 2070.3894 1933.6401 122.9226 -205782.8779 17498.7640 0.0000 0.0000 34302.4650 -149103.3775 299.5720 -183405.8424 -149003.3147 299.9301 -118.8363 -82.7055 556876.4883 -16.2478 -15.9998 PRESSURE: 3535000 39.772 166.962 -19.7749 166.962 17.7786 78.6742 -19.7756 78.673 436.417 GPRESSURE: 3535000 63.7842 87.4391 -30.643 205.872 19.9744 68.5603 26.3981 87.8245 512.308 PRESSAVG: 3535000 -24.5308 73.2569 16.7624 73.2569 -1.36142 22.6631 16.7625 22.663 33.865 GPRESSAVG: 3535000 -23.9506 76.1353 17.6984 71.2187 -2.35955 23.0991 16.0431 22.9449 34.3903 TIMING: 3535000 CPU: 10245.1, 0.00288537/step Wall: 10245.1, 0.00288537/step, 1.17419 hours remaining, 209.328125 MB of memory in use. ENERGY: 3535000 734.0911 2010.3259 1950.9886 111.4688 -206471.1975 18078.3025 0.0000 0.0000 34421.0930 -149164.9275 300.6080 -183586.0205 -149069.2585 299.8973 164.6558 198.6890 555041.8151 2.6576 2.6934 PRESSURE: 3535200 -140.134 43.5356 29.2545 43.5338 -284.55 -5.69825 29.2529 -5.69815 -383.602 GPRESSURE: 3535200 -59.562 58.6572 33.04 72.3966 -300.65 -7.14681 27.676 50.9722 -357.981 PRESSAVG: 3535200 14.4417 -2.73442 -8.5661 -2.73436 -19.7291 -10.0623 -8.56608 -10.0621 -5.95023 GPRESSAVG: 3535200 13.0223 -2.80603 -10.5292 -2.5978 -19.3714 -10.7941 -6.8925 -11.2899 -5.46271 TIMING: 3535200 CPU: 10245.7, 0.00288378/step Wall: 10245.7, 0.00288378/step, 1.17338 hours remaining, 209.328125 MB of memory in use. ENERGY: 3535200 785.8147 2077.9621 1930.1286 102.7726 -205668.5183 17388.7470 0.0000 0.0000 34215.3050 -149167.7881 298.8108 -183383.0932 -149071.8207 300.2295 -269.4286 -239.3977 558235.2698 -3.7459 -3.9373 PRESSURE: 3535400 403.547 39.3529 162.969 39.353 124.019 -59.3063 162.969 -59.3053 -180.402 GPRESSURE: 3535400 398.254 45.461 187.596 76.544 142.743 10.191 62.4732 -113.689 -83.6252 PRESSAVG: 3535400 45.6701 14.0813 23.1218 14.0812 0.331424 50.7026 23.1218 50.7026 -68.1866 GPRESSAVG: 3535400 45.6379 12.9025 23.8577 12.1179 -0.652017 51.3621 21.4512 51.1938 -67.9409 TIMING: 3535400 CPU: 10246.3, 0.00292583/step Wall: 10246.3, 0.00292583/step, 1.19033 hours remaining, 209.328125 MB of memory in use. ENERGY: 3535400 746.6458 2081.5502 1941.3946 100.4094 -206361.2044 18064.5643 0.0000 0.0000 34252.1537 -149174.4864 299.1326 -183426.6402 -149078.1911 299.9725 115.7211 152.4571 557077.1838 -7.3950 -7.6517 PRESSURE: 3535600 91.7205 -58.5675 -102.472 -58.567 -159.261 18.1739 -102.472 18.1739 -3.07527 GPRESSURE: 3535600 71.5745 -76.5809 -246.788 -21.491 -63.9584 -7.97211 -75.0003 38.4451 17.0072 PRESSAVG: 3535600 34.1714 25.6336 32.5342 25.6337 -56.0421 28.8724 32.5343 28.8724 4.28633 GPRESSAVG: 3535600 33.2843 26.5344 32.6992 26.5133 -55.4304 29.1105 30.0463 27.6863 4.50317 TIMING: 3535600 CPU: 10246.9, 0.00291958/step Wall: 10246.9, 0.00291958/step, 1.18762 hours remaining, 209.328125 MB of memory in use. ENERGY: 3535600 733.7649 2113.0116 1936.0023 108.0286 -206016.9925 17862.2299 0.0000 0.0000 34221.7393 -149042.2159 298.8670 -183263.9552 -148940.3793 299.7010 -23.5387 8.2078 558701.9365 -5.8614 -5.8810 PRESSURE: 3535800 -251.764 46.4503 -80.0056 46.45 -203.908 19.0334 -80.0051 19.0347 -143.674 GPRESSURE: 3535800 -250.016 115.635 25.1606 11.8413 -184.579 -5.8782 -74.9262 -7.22742 -67.9686 PRESSAVG: 3535800 15.0746 16.2555 -16.353 16.2554 7.55144 -3.28117 -16.3531 -3.28138 -30.6382 GPRESSAVG: 3535800 16.1569 12.8217 -15.8465 17.8296 7.06575 -3.7001 -13.3594 -2.78148 -31.3654 TIMING: 3535800 CPU: 10247.5, 0.00292771/step Wall: 10247.5, 0.00292771/step, 1.19076 hours remaining, 209.328125 MB of memory in use. ENERGY: 3535800 761.4845 2074.3669 1923.8441 115.0797 -205925.6134 17469.3284 0.0000 0.0000 34258.6933 -149322.8164 299.1897 -183581.5098 -149221.8002 299.5916 -199.7819 -167.5213 557354.2062 -2.6707 -2.7142 PRESSURE: 3536000 -180.273 -2.01289 -205.157 -2.01331 -92.7337 -25.1034 -205.156 -25.1037 142.518 GPRESSURE: 3536000 -94.5741 -90.7355 -178.329 10.2225 -52.0817 -72.8991 -148.233 -0.04753 105.965 PRESSAVG: 3536000 18.1245 -2.63977 9.16918 -2.63974 -33.0572 62.67 9.16922 62.6701 -21.1623 GPRESSAVG: 3536000 16.6957 -1.14441 9.607 -2.37868 -32.4127 61.2437 7.10012 63.3823 -20.8487 TIMING: 3536000 CPU: 10248, 0.00289855/step Wall: 10248, 0.00289855/step, 1.17875 hours remaining, 209.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3536000 785.2486 2077.2701 1941.9708 117.9661 -206062.1618 17768.7140 0.0000 0.0000 34128.7264 -149242.2659 298.0547 -183370.9923 -149151.2092 298.8882 -43.4963 -13.5635 557894.4324 -12.0317 -12.1886 PRESSURE: 3536200 -93.3609 113.67 -123.48 113.669 26.3884 120.103 -123.48 120.104 -170.68 GPRESSURE: 3536200 -119.758 104.008 -144.03 92.5887 62.1905 180.105 -263.472 55.7925 -85.6393 PRESSAVG: 3536200 -60.5335 -32.4782 -43.6609 -32.4783 32.227 22.1318 -43.661 22.1319 -3.44631 GPRESSAVG: 3536200 -60.0561 -31.1072 -44.7841 -34.9448 33.786 24.2802 -43.8392 20.1768 -5.34118 TIMING: 3536200 CPU: 10248.6, 0.00289824/step Wall: 10248.6, 0.00289824/step, 1.17846 hours remaining, 209.328125 MB of memory in use. ENERGY: 3536200 740.3065 2072.1307 1925.0818 96.8803 -206189.4026 17647.5018 0.0000 0.0000 34512.6866 -149194.8148 301.4079 -183707.5014 -149094.2034 299.2455 -79.2174 -47.7355 557343.7917 -10.5843 -10.5371 LDB: ============= START OF LOAD BALANCING ============== 10252 LDB: ============== END OF LOAD BALANCING =============== 10252 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10252 LDB: ============= START OF LOAD BALANCING ============== 10252.3 LDB: Largest compute 4792 load 0.028456 is 24.1% of average load 0.117997 LDB: Average compute 0.001736 is 1.5% of average load 0.117997 LDB: TIME 10252.3 LOAD: AVG 0.117997 MAX 0.182031 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.375 MB LDB: TIME 10252.3 LOAD: AVG 0.117997 MAX 0.182031 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.574 MB LDB: TIME 10252.3 LOAD: AVG 0.117997 MAX 0.182031 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10252.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10252.3 PRESSURE: 3536400 -123.242 68.6689 -26.5984 68.6685 -77.2424 -95.9804 -26.5977 -95.9789 137.455 GPRESSURE: 3536400 -36.5484 41.1329 3.91392 95.0161 -47.3271 -47.1724 -43.9675 -180.963 107.253 PRESSAVG: 3536400 -17.5857 39.1111 18.1018 39.1111 33.7763 3.65495 18.1018 3.6549 44.2171 GPRESSAVG: 3536400 -17.2674 39.187 18.1556 40.2199 32.5554 3.72287 21.1575 4.64931 45.3022 TIMING: 3536400 CPU: 10249.2, 0.00296563/step Wall: 10249.2, 0.00296563/step, 1.20569 hours remaining, 211.378906 MB of memory in use. ENERGY: 3536400 698.4182 2083.1448 1963.9298 103.6306 -206108.2159 17736.6169 0.0000 0.0000 34261.0385 -149261.4371 299.2102 -183522.4756 -149166.5468 299.5835 -21.0097 7.7925 557915.5319 20.1359 20.1967 PRESSURE: 3536600 92.9342 82.3292 122.339 82.3297 -118.271 -30.2727 122.34 -30.2719 221.469 GPRESSURE: 3536600 159.919 65.382 120.262 89.0692 -65.028 -86.4396 88.6144 -2.48581 201.356 PRESSAVG: 3536600 -53.1937 57.5796 -13.8308 57.5796 51.197 -36.1984 -13.8309 -36.1985 18.8717 GPRESSAVG: 3536600 -52.2756 55.7504 -14.9013 56.5777 50.537 -37.9936 -15.3349 -35.4341 18.5932 TIMING: 3536600 CPU: 10249.8, 0.00290756/step Wall: 10249.8, 0.00290756/step, 1.18192 hours remaining, 211.449219 MB of memory in use. ENERGY: 3536600 754.4745 2027.6709 1922.9693 116.0866 -206215.2862 17869.2720 0.0000 0.0000 34378.0637 -149146.7492 300.2322 -183524.8129 -149053.9198 299.4400 65.3773 98.7489 557240.3993 5.6250 5.6182 PRESSURE: 3536800 92.3491 65.0485 52.8853 65.0492 52.7973 -29.7575 52.8845 -29.76 -194.744 GPRESSURE: 3536800 48.9968 81.7136 76.8631 80.3971 151.137 -14.7452 -17.5732 -90.3552 -144.918 PRESSAVG: 3536800 12.4793 10.2721 -17.0681 10.2721 50.1905 5.34134 -17.068 5.34131 -56.651 GPRESSAVG: 3536800 12.8495 11.9947 -15.3542 10.5438 49.2753 6.2982 -17.7798 4.59325 -56.4132 TIMING: 3536800 CPU: 10250.4, 0.00288892/step Wall: 10250.4, 0.00288892/step, 1.17419 hours remaining, 211.449219 MB of memory in use. ENERGY: 3536800 747.5808 2080.0395 1932.9568 115.5008 -206440.2218 17972.6723 0.0000 0.0000 34373.6432 -149217.8284 300.1936 -183591.4716 -149124.5399 300.1386 -16.5326 18.4051 557659.5419 2.0063 1.9039 PRESSURE: 3537000 -176.139 66.9327 -109.509 66.9336 85.0084 -38.9317 -109.509 -38.9322 -61.5032 GPRESSURE: 3537000 -96.7066 -15.8849 -60.9481 45.7811 59.826 -84.8951 -191.857 33.6475 -32.0155 PRESSAVG: 3537000 41.3022 -27.0231 24.1332 -27.0232 33.4494 57.0125 24.1332 57.0126 -47.237 GPRESSAVG: 3537000 40.2638 -26.2899 23.0533 -28.0143 35.0615 58.2629 25.8327 56.9643 -47.5949 TIMING: 3537000 CPU: 10250.9, 0.00288364/step Wall: 10250.9, 0.00288364/step, 1.17188 hours remaining, 211.449219 MB of memory in use. ENERGY: 3537000 733.7427 2095.8794 1949.1445 119.2789 -206039.8391 17661.4073 0.0000 0.0000 34251.8628 -149228.5236 299.1300 -183480.3864 -149131.0440 299.5632 -50.8778 -22.9654 558162.7980 9.1715 9.2435 PRESSURE: 3537200 249.678 -132.54 81.0992 -132.541 -64.4216 98.1874 81.0974 98.1907 -43.7713 GPRESSURE: 3537200 276.207 -193.681 79.2324 -19.0539 -47.8402 130.258 101.305 73.6178 10.1739 PRESSAVG: 3537200 -20.6347 34.2213 -8.70805 34.2213 -51.2436 41.3975 -8.70808 41.3976 52.0206 GPRESSAVG: 3537200 -18.68 32.6684 -7.74803 36.3418 -53.0131 39.0754 -10.2008 40.6543 51.8412 TIMING: 3537200 CPU: 10251.5, 0.00289692/step Wall: 10251.5, 0.00289692/step, 1.17712 hours remaining, 211.449219 MB of memory in use. ENERGY: 3537200 751.5459 2047.1567 1981.7643 112.3687 -206352.0404 17879.5748 0.0000 0.0000 34452.2134 -149127.4165 300.8797 -183579.6299 -149031.8611 299.9935 47.1617 79.5137 556690.6024 -6.6192 -6.6173 PRESSURE: 3537400 -303.249 -59.4511 81.77 -59.45 -110.054 -19.9941 81.7706 -19.9938 -120.912 GPRESSURE: 3537400 -325.683 -75.2764 -24.2643 -64.9262 -52.7131 -32.5296 129.967 5.99704 -67.2803 PRESSAVG: 3537400 -18.1459 3.26035 36.7209 3.26031 32.5854 26.6965 36.721 26.6965 -30.7463 GPRESSAVG: 3537400 -18.9505 3.18292 34.9407 2.59024 33.5047 26.467 36.3721 27.831 -31.084 TIMING: 3537400 CPU: 10252.1, 0.0028823/step Wall: 10252.1, 0.0028823/step, 1.17102 hours remaining, 211.449219 MB of memory in use. ENERGY: 3537400 771.7514 2066.7519 1947.8389 122.7675 -205962.0872 17677.8122 0.0000 0.0000 34290.7262 -149084.4391 299.4694 -183375.1653 -148982.0993 298.9654 -178.0719 -148.5589 559053.7806 -5.4356 -5.5099 PRESSURE: 3537600 -55.8731 192.854 -178.437 192.854 -128.196 -163.399 -178.437 -163.399 84.2008 GPRESSURE: 3537600 -63.6108 173.905 -180.533 153.628 -38.7992 -227.74 -123.844 -53.001 107.74 PRESSAVG: 3537600 29.3076 -12.9185 -1.15601 -12.9185 -24.371 31.8148 -1.15603 31.8148 -81.7846 GPRESSAVG: 3537600 28.7331 -12.2248 -0.640202 -13.7625 -23.7699 32.7661 -0.325148 30.9902 -81.2057 TIMING: 3537600 CPU: 10252.7, 0.00288606/step Wall: 10252.7, 0.00288606/step, 1.17238 hours remaining, 211.449219 MB of memory in use. ENERGY: 3537600 745.6049 2099.7992 1933.6590 97.1893 -205838.2597 17756.2842 0.0000 0.0000 34251.1907 -148954.5323 299.1242 -183205.7230 -148857.7986 299.2949 -33.2896 1.7768 558717.2135 -25.6160 -25.4142 PRESSURE: 3537800 77.1782 162.154 16.7609 162.154 200.705 42.6542 16.7601 42.6523 61.8453 GPRESSURE: 3537800 139.591 153.684 5.99787 157.02 276.234 -6.00672 -18.1106 -5.95781 30.1599 PRESSAVG: 3537800 -74.482 -52.1982 -2.11933 -52.1983 7.93438 -5.23637 -2.1193 -5.23634 47.5616 GPRESSAVG: 3537800 -72.7573 -51.1543 -2.54395 -52.4811 6.72108 -6.24768 -1.57823 -5.50503 47.1631 TIMING: 3537800 CPU: 10253.3, 0.00290048/step Wall: 10253.3, 0.00290048/step, 1.17808 hours remaining, 211.449219 MB of memory in use. ENERGY: 3537800 760.9649 2057.5619 1952.1024 109.5909 -206152.9556 17936.9776 0.0000 0.0000 34306.0122 -149029.7455 299.6029 -183335.7578 -148930.4416 299.9379 113.2430 148.6616 557689.4587 -6.3287 -6.2910 PRESSURE: 3538000 18.5746 2.11259 225.3 2.11189 227.632 37.08 225.298 37.0786 -206.424 GPRESSURE: 3538000 -2.89753 26.1135 126.403 -12.261 269.918 115.87 274.366 -3.8893 -142.117 PRESSAVG: 3538000 33.1111 14.4613 -0.923563 14.4613 35.1773 -1.59555 -0.923559 -1.59548 -19.3624 GPRESSAVG: 3538000 31.668 13.9251 0.134689 17.6955 35.8228 -1.54307 -2.51958 -0.847302 -18.766 TIMING: 3538000 CPU: 10253.8, 0.00289262/step Wall: 10253.8, 0.00289262/step, 1.17473 hours remaining, 211.449219 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: 3538000 736.2735 2112.4812 1956.2719 123.0114 -206320.9942 18001.5723 0.0000 0.0000 34192.1545 -149199.2295 298.6086 -183391.3840 -149097.2606 299.6636 13.2610 41.6345 557431.0563 16.3087 16.2416 PRESSURE: 3538200 75.1612 77.8584 47.7436 77.859 -112.363 240.591 47.7437 240.59 -231.272 GPRESSURE: 3538200 109.208 171.473 -26.1224 25.682 -91.263 206.209 114.182 225.919 -192.323 PRESSAVG: 3538200 81.4008 25.7197 -4.96151 25.7196 54.4921 23.6898 -4.96159 23.6898 -83.4482 GPRESSAVG: 3538200 80.5417 24.4727 -4.55257 25.2593 55.3397 23.4914 -4.88089 24.5979 -83.7936 TIMING: 3538200 CPU: 10254.4, 0.00287363/step Wall: 10254.4, 0.00287363/step, 1.16685 hours remaining, 211.449219 MB of memory in use. ENERGY: 3538200 799.0027 2079.1255 1949.6937 108.8402 -206728.8277 18012.5760 0.0000 0.0000 34351.9921 -149427.5976 300.0045 -183779.5897 -149327.0115 299.5585 -89.4912 -58.1260 556385.2407 17.4815 17.3626 PRESSURE: 3538400 54.2708 -10.9907 -105.389 -10.9904 -179.145 -62.3131 -105.389 -62.3117 -76.5838 GPRESSURE: 3538400 94.1054 -0.7201 0.374797 17.4905 -196.8 -38.1672 -88.2534 2.27281 -4.99841 PRESSAVG: 3538400 34.1449 -25.0757 -15.6468 -25.0758 -17.9981 33.6934 -15.6469 33.6935 -38.8873 GPRESSAVG: 3538400 35.7214 -24.5641 -16.6568 -26.7532 -19.3763 34.3363 -15.3838 34.4114 -39.6061 TIMING: 3538400 CPU: 10255, 0.00287264/step Wall: 10255, 0.00287264/step, 1.16629 hours remaining, 211.449219 MB of memory in use. ENERGY: 3538400 788.0940 2048.8103 1952.2484 108.2343 -206596.1150 17952.1314 0.0000 0.0000 34332.0611 -149414.5356 299.8304 -183746.5967 -149323.3453 298.7647 -67.1527 -35.8976 557314.6145 -7.5802 -7.7537 PRESSURE: 3538600 113.181 -69.1191 92.1422 -69.119 -98.5181 -51.531 92.1426 -51.5313 -6.07829 GPRESSURE: 3538600 144.325 -85.3891 78.8093 -40.8429 -94.8958 -78.6984 95.1364 -44.3145 51.2755 PRESSAVG: 3538600 46.5707 -8.86138 55.6683 -8.86133 4.95572 46.1879 55.6683 46.1879 -5.04519 GPRESSAVG: 3538600 45.7602 -9.93534 56.6761 -7.01441 5.30695 45.1756 55.5611 46.8143 -4.85962 TIMING: 3538600 CPU: 10255.6, 0.00287841/step Wall: 10255.6, 0.00287841/step, 1.16847 hours remaining, 211.449219 MB of memory in use. ENERGY: 3538600 743.0290 2124.5307 1938.5389 113.5994 -206739.6379 18032.5169 0.0000 0.0000 34324.3161 -149463.1069 299.7628 -183787.4230 -149370.9547 298.8460 2.8616 33.5683 557180.1190 15.4937 15.4025 PRESSURE: 3538800 25.4653 -4.80839 -67.5175 -4.80825 -117.151 -120.811 -67.5176 -120.812 -197.182 GPRESSURE: 3538800 63.7569 -68.8445 -77.0317 68.0033 -73.4717 -153.886 -21.933 -167.276 -172.801 PRESSAVG: 3538800 4.55008 10.6915 -8.0491 10.6916 46.2756 7.57704 -8.0491 7.57699 -47.4671 GPRESSAVG: 3538800 4.13757 13.3111 -7.78225 11.2954 45.4926 8.95649 -8.78857 4.51744 -46.5124 TIMING: 3538800 CPU: 10256.1, 0.00287912/step Wall: 10256.1, 0.00287912/step, 1.1686 hours remaining, 211.449219 MB of memory in use. ENERGY: 3538800 775.9350 2132.2358 1957.9026 121.1832 -206284.8383 17791.8185 0.0000 0.0000 34052.5595 -149453.2038 297.3895 -183505.7633 -149358.9701 298.3233 -96.2892 -60.8386 557934.3586 1.1195 1.0393 PRESSURE: 3539000 275.267 -142.258 28.1094 -142.258 62.0775 49.2471 28.1098 49.2485 38.6224 GPRESSURE: 3539000 286.955 -169.258 -26.8473 -96.2339 84.5696 -8.38995 87.0598 85.339 97.203 PRESSAVG: 3539000 94.6083 31.1127 -13.9613 31.1126 -30.5019 29.8891 -13.9612 29.8893 -87.8809 GPRESSAVG: 3539000 93.7905 30.0075 -15.7736 28.8639 -29.7098 28.1255 -12.3072 30.4965 -88.4877 TIMING: 3539000 CPU: 10256.7, 0.00289244/step Wall: 10256.7, 0.00289244/step, 1.17385 hours remaining, 211.449219 MB of memory in use. ENERGY: 3539000 777.6129 2128.8290 1959.0353 112.9849 -206736.5099 18203.9268 0.0000 0.0000 34186.8798 -149367.2413 298.5625 -183554.1211 -149276.0177 298.8263 125.3224 156.2424 557540.4598 -7.9248 -8.1357 PRESSURE: 3539200 4.4499 -106.116 -35.4402 -106.116 182.7 102.922 -35.4403 102.921 -175.521 GPRESSURE: 3539200 -1.20445 -128.926 31.2043 -147.402 270.62 125.415 -69.2315 102.352 -163.099 PRESSAVG: 3539200 26.9925 -32.7413 -34.0388 -32.7412 46.016 13.8292 -34.0388 13.8292 -92.0573 GPRESSAVG: 3539200 28.3286 -33.1179 -31.1354 -32.8901 46.4974 16.1612 -34.7428 14.4509 -93.9344 TIMING: 3539200 CPU: 10257.3, 0.00288382/step Wall: 10257.3, 0.00288382/step, 1.17019 hours remaining, 211.449219 MB of memory in use. ENERGY: 3539200 710.9530 2033.9420 1960.6470 105.8900 -205907.1151 17688.6846 0.0000 0.0000 34150.7214 -149256.2772 298.2467 -183406.9986 -149162.2028 298.4986 3.8765 35.4387 556816.6552 -6.3496 -6.3695 PRESSURE: 3539400 -242.52 50.2043 -31.5451 50.205 291.608 -81.6723 -31.5448 -81.6718 -222.679 GPRESSURE: 3539400 -201.028 51.6947 29.7637 99.2119 275.988 -104.577 -60.1468 -89.3174 -154.191 PRESSAVG: 3539400 24.6589 5.77829 -22.577 5.77821 -8.52976 11.4052 -22.577 11.4051 -41.4282 GPRESSAVG: 3539400 23.401 5.25733 -23.8115 8.5824 -8.99463 10.084 -22.2313 11.7153 -39.7831 TIMING: 3539400 CPU: 10257.9, 0.00286561/step Wall: 10257.9, 0.00286561/step, 1.16264 hours remaining, 211.449219 MB of memory in use. ENERGY: 3539400 736.8603 2056.9100 1960.9757 121.2379 -206019.7456 17695.6418 0.0000 0.0000 34269.2601 -149178.8599 299.2820 -183448.1200 -149079.1341 298.4959 -57.8639 -26.4102 556807.4165 -8.4330 -8.4589 PRESSURE: 3539600 -69.9012 -56.3537 -36.2839 -56.3533 -41.6846 -33.5759 -36.2834 -33.5767 -218.25 GPRESSURE: 3539600 -24.1968 9.72212 1.88113 -96.9923 6.36716 -196.627 -93.6004 62.3085 -202.826 PRESSAVG: 3539600 41.3751 -17.5851 12.3407 -17.5851 73.7941 11.6836 12.3407 11.6837 -110.061 GPRESSAVG: 3539600 41.9854 -16.0552 12.104 -18.9459 74.6402 12.2694 11.4223 11.646 -110.817 TIMING: 3539600 CPU: 10258.4, 0.00288758/step Wall: 10258.4, 0.00288758/step, 1.17139 hours remaining, 211.449219 MB of memory in use. ENERGY: 3539600 762.8305 2123.3755 1951.0522 115.3953 -206200.0710 17727.2368 0.0000 0.0000 34035.6797 -149484.5009 297.2421 -183520.1806 -149382.8638 298.4004 -109.9452 -73.5520 558382.5510 1.7027 1.9361 PRESSURE: 3539800 216.847 -75.9354 -74.3438 -75.9342 -4.01429 84.5612 -74.3427 84.5609 20.0092 GPRESSURE: 3539800 247.255 -84.6721 -97.8966 -44.8418 19.377 114.11 -30.4683 64.7692 67.5042 PRESSAVG: 3539800 20.3745 0.360973 -14.4766 0.361034 8.32375 -7.42292 -14.4766 -7.42297 -38.3069 GPRESSAVG: 3539800 20.3833 -1.1439 -13.4477 -0.434379 7.8104 -7.34794 -12.7465 -10.1635 -37.5179 TIMING: 3539800 CPU: 10259, 0.00290181/step Wall: 10259, 0.00290181/step, 1.17701 hours remaining, 211.449219 MB of memory in use. ENERGY: 3539800 729.2164 2006.2155 1899.7032 128.5869 -206404.0531 17944.7929 0.0000 0.0000 34447.5050 -149248.0332 300.8386 -183695.5382 -149147.0026 299.3467 77.6139 111.3787 558978.7745 -3.2029 -3.1081 PRESSURE: 3540000 220.081 132.781 8.27299 132.781 -111.876 -232.316 8.27286 -232.316 -150.941 GPRESSURE: 3540000 268.092 80.7332 39.3696 145.47 -101.427 -274.569 -32.5053 -122.887 -105.909 PRESSAVG: 3540000 4.87562 25.8485 24.5482 25.8486 15.4158 17.0465 24.5482 17.0464 -4.75059 GPRESSAVG: 3540000 5.58207 24.8504 24.1185 25.9466 14.3871 15.2314 22.748 18.0981 -4.08975 TIMING: 3540000 CPU: 10259.6, 0.00289161/step Wall: 10259.6, 0.00289161/step, 1.17271 hours remaining, 211.449219 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: 3540000 739.2572 2138.2513 1914.0247 120.0629 -206456.2743 17901.5340 0.0000 0.0000 34173.0501 -149470.0939 298.4417 -183643.1441 -149376.5189 298.5570 -14.2452 20.2520 558500.4671 5.1803 5.2932 PRESSURE: 3540200 61.4936 39.2655 13.5236 39.2642 213.391 57.4417 13.5233 57.4409 316.243 GPRESSURE: 3540200 108.485 4.95929 22.3296 62.3603 219.798 53.5969 80.3675 41.708 342.003 PRESSAVG: 3540200 40.9562 33.8242 3.02218 33.8241 31.9047 -10.7025 3.02206 -10.7024 -57.4312 GPRESSAVG: 3540200 40.6522 35.7591 0.168439 33.3588 32.3707 -9.73026 4.49006 -8.13843 -57.2033 TIMING: 3540200 CPU: 10260.2, 0.00289312/step Wall: 10260.2, 0.00289312/step, 1.17316 hours remaining, 211.449219 MB of memory in use. ENERGY: 3540200 731.6162 2082.9686 1927.9184 114.1934 -206737.0116 18355.6107 0.0000 0.0000 34180.0350 -149344.6693 298.5027 -183524.7043 -149251.1814 299.0061 197.0427 223.4287 557654.5326 5.1432 5.2732 LDB: ============= START OF LOAD BALANCING ============== 10263.6 LDB: ============== END OF LOAD BALANCING =============== 10263.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10263.6 LDB: ============= START OF LOAD BALANCING ============== 10263.9 LDB: Largest compute 4792 load 0.029272 is 24.8% of average load 0.117947 LDB: Average compute 0.001739 is 1.5% of average load 0.117947 LDB: TIME 10263.9 LOAD: AVG 0.117947 MAX 0.178525 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.66 MB LDB: TIME 10263.9 LOAD: AVG 0.117947 MAX 0.178525 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 10263.9 LOAD: AVG 0.117947 MAX 0.178525 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10263.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10263.9 PRESSURE: 3540400 -216.508 159.096 -47.1987 159.096 -309.589 106.609 -47.1994 106.61 -362.279 GPRESSURE: 3540400 -197.166 117.903 -44.0627 153.761 -283.55 164.12 -93.6536 41.2593 -314.699 PRESSAVG: 3540400 25.1441 0.776931 -13.4588 0.776871 31.43 43.9332 -13.4589 43.9332 -31.7828 GPRESSAVG: 3540400 25.0912 0.733436 -13.038 2.02736 32.0295 43.8124 -11.7004 41.7072 -32.6422 TIMING: 3540400 CPU: 10260.8, 0.00296764/step Wall: 10260.8, 0.00296764/step, 1.20321 hours remaining, 211.691406 MB of memory in use. ENERGY: 3540400 747.7858 2086.3994 1913.9293 103.1668 -205889.3912 17539.2150 0.0000 0.0000 34268.6604 -149230.2345 299.2767 -183498.8950 -149134.3733 298.8818 -296.1253 -265.1384 559773.7467 8.2638 8.1595 PRESSURE: 3540600 67.8735 -87.8046 -24.173 -87.8041 -169.137 117.124 -24.1732 117.123 -181.879 GPRESSURE: 3540600 59.918 -84.4155 -118.126 -98.6973 -137.952 50.6028 -26.5286 76.7213 -105.212 PRESSAVG: 3540600 -7.6463 -21.7517 -86.4057 -21.7517 3.8282 27.3668 -86.4056 27.3668 -16.2973 GPRESSAVG: 3540600 -7.77273 -24.026 -84.3326 -22.1943 3.34212 28.0561 -86.9708 28.0198 -16.3161 TIMING: 3540600 CPU: 10261.4, 0.0029041/step Wall: 10261.4, 0.0029041/step, 1.17729 hours remaining, 211.894531 MB of memory in use. ENERGY: 3540600 757.2226 2054.3341 1920.7578 103.3542 -206087.7650 17800.4610 0.0000 0.0000 34286.9967 -149164.6386 299.4369 -183451.6353 -149067.5673 299.7035 -94.3808 -61.0819 558330.8779 -6.7051 -6.9156 PRESSURE: 3540800 -98.9187 88.0908 66.1189 88.0916 -290.982 32.4733 66.1185 32.4737 87.4604 GPRESSURE: 3540800 -52.8102 132.121 61.0153 -72.6147 -253.409 -25.8034 115.613 -19.3112 105.352 PRESSAVG: 3540800 23.3434 24.3758 16.3698 24.3759 -38.2857 -41.1213 16.3698 -41.1212 18.9262 GPRESSAVG: 3540800 23.2058 26.2374 16.0504 24.0813 -36.967 -40.2339 14.8954 -42.8923 18.256 TIMING: 3540800 CPU: 10261.9, 0.0028962/step Wall: 10261.9, 0.0028962/step, 1.17392 hours remaining, 211.894531 MB of memory in use. ENERGY: 3540800 755.5368 2033.9302 1922.7147 104.2567 -205984.7108 17642.2070 0.0000 0.0000 34355.1366 -149170.9287 300.0320 -183526.0653 -149069.0204 299.4070 -100.8135 -66.9556 556438.2268 1.3280 1.4983 PRESSURE: 3541000 33.6555 54.6629 -64.7896 54.6632 -299.078 -121.237 -64.7903 -121.237 102.237 GPRESSURE: 3541000 58.3176 111.25 -61.7034 35.4001 -216.931 -210.123 -155.279 -43.9321 101.856 PRESSAVG: 3541000 -30.0903 9.33003 69.9189 9.33015 50.0383 46.2398 69.9189 46.2397 30.651 GPRESSAVG: 3541000 -29.5347 10.0862 69.699 8.78985 49.5097 44.7437 69.3003 48.2837 30.2066 TIMING: 3541000 CPU: 10262.5, 0.00289102/step Wall: 10262.5, 0.00289102/step, 1.17167 hours remaining, 211.894531 MB of memory in use. ENERGY: 3541000 747.8913 2047.5844 1942.4479 116.0059 -206105.1486 17764.8944 0.0000 0.0000 34216.5807 -149269.7440 298.8219 -183486.3247 -149167.8962 298.6889 -54.3950 -18.9191 556557.8064 16.8663 16.7272 PRESSURE: 3541200 -113.862 7.31188 -55.3 7.31287 23.537 45.6032 -55.3005 45.6021 -42.7154 GPRESSURE: 3541200 -75.6615 -44.4662 5.57169 12.2733 80.7517 84.3619 -38.0373 55.757 -36.0441 PRESSAVG: 3541200 6.764 19.4252 -14.145 19.4253 6.18451 -26.2259 -14.1449 -26.2259 18.0523 GPRESSAVG: 3541200 6.1534 17.713 -14.1114 20.4456 6.07795 -26.266 -13.6386 -24.7724 19.0711 TIMING: 3541200 CPU: 10263.1, 0.00290017/step Wall: 10263.1, 0.00290017/step, 1.17521 hours remaining, 211.894531 MB of memory in use. ENERGY: 3541200 722.1789 2058.0776 1911.4214 105.0660 -205993.6018 17765.0635 0.0000 0.0000 34348.0040 -149083.7905 299.9697 -183431.7945 -148988.3481 299.5465 -44.3469 -10.3180 558105.9288 10.3336 10.4342 PRESSURE: 3541400 45.1249 -60.5265 -0.0264605 -60.5261 257.043 107.985 -0.0271448 107.985 -95.7665 GPRESSURE: 3541400 148.565 -117.064 -21.8013 -36.9519 285.152 96.2342 22.8452 111.795 -116.39 PRESSAVG: 3541400 69.0327 -46.8498 4.77962 -46.8498 28.9481 -31.8108 4.77966 -31.8108 -65.233 GPRESSAVG: 3541400 69.2968 -46.7159 5.63115 -48.3802 28.2969 -29.2391 2.5151 -34.7087 -65.1836 TIMING: 3541400 CPU: 10263.7, 0.00289025/step Wall: 10263.7, 0.00289025/step, 1.17103 hours remaining, 211.894531 MB of memory in use. ENERGY: 3541400 760.1927 2038.3551 1929.8447 111.5464 -206277.7632 17920.6625 0.0000 0.0000 34477.7644 -149039.3974 301.1029 -183517.1618 -148933.9187 299.5769 68.8005 105.7755 556983.9050 10.9159 10.8034 PRESSURE: 3541600 -91.4879 -62.2341 -101.68 -62.2348 -71.0089 43.3523 -101.68 43.3521 -149.722 GPRESSURE: 3541600 -49.329 -63.8307 -70.4496 -125.688 -68.9633 -6.6197 -60.9193 49.0771 -88.3327 PRESSAVG: 3541600 -2.02833 -34.2976 8.83552 -34.2975 27.3505 -15.6404 8.83557 -15.6403 -39.67 GPRESSAVG: 3541600 -2.35551 -31.9016 9.32477 -34.6729 28.3899 -17.6607 8.49273 -13.3813 -39.7776 TIMING: 3541600 CPU: 10264.3, 0.00288434/step Wall: 10264.3, 0.00288434/step, 1.16848 hours remaining, 211.894531 MB of memory in use. ENERGY: 3541600 698.9987 2051.8215 1937.4171 122.9011 -205752.0063 17478.0037 0.0000 0.0000 34397.7682 -149065.0961 300.4043 -183462.8643 -148962.1812 300.2732 -104.0728 -68.8750 558841.0335 -4.7826 -4.5810 PRESSURE: 3541800 46.4415 82.3694 -100.267 82.3693 56.2809 -50.8443 -100.267 -50.8438 170.481 GPRESSURE: 3541800 61.6675 67.8905 -38.8466 18.9457 110.992 16.1608 -31.1224 -131.817 192.625 PRESSAVG: 3541800 53.184 -21.2087 4.39064 -21.2087 -48.398 -48.4803 4.39068 -48.4804 -41.0539 GPRESSAVG: 3541800 52.7545 -24.8425 4.40118 -18.2263 -48.5949 -48.1539 5.09227 -49.5036 -40.5294 TIMING: 3541800 CPU: 10264.8, 0.00288648/step Wall: 10264.8, 0.00288648/step, 1.16919 hours remaining, 211.894531 MB of memory in use. ENERGY: 3541800 721.1297 2138.6441 1953.5047 117.6710 -205937.8382 17799.2385 0.0000 0.0000 34192.2546 -149015.3957 298.6095 -183207.6503 -148915.0072 299.5211 91.0679 121.7613 557950.0426 -12.0893 -12.1233 PRESSURE: 3542000 -119.387 105.554 -187.001 105.553 39.9635 -26.4379 -187.002 -26.4379 -366.951 GPRESSURE: 3542000 -63.7838 73.8047 -232.865 150.916 66.0186 88.4501 -71.5574 21.3648 -331.472 PRESSAVG: 3542000 59.2656 9.62149 -12.6302 9.62157 16.2879 -5.37828 -12.6302 -5.3782 -84.7699 GPRESSAVG: 3542000 60.5703 12.0748 -14.1631 6.19337 16.0419 -6.35704 -10.2868 -5.00205 -85.0494 TIMING: 3542000 CPU: 10265.4, 0.00289413/step Wall: 10265.4, 0.00289413/step, 1.17212 hours remaining, 211.894531 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: 3542000 769.1538 2092.4332 1919.7968 105.0275 -205771.1393 17713.1334 0.0000 0.0000 34209.6016 -148961.9929 298.7610 -183171.5945 -148863.2815 299.9630 -148.7914 -109.7458 558444.7671 -3.0722 -2.8124 PRESSURE: 3542200 123.466 22.7844 -85.0515 22.7849 122.354 -36.1656 -85.0513 -36.1675 156.8 GPRESSURE: 3542200 144.702 -9.12054 -60.1773 38.6306 183.189 1.60619 -48.1333 -33.8638 178.099 PRESSAVG: 3542200 -2.29072 34.4429 3.76364 34.4428 5.20602 28.561 3.76361 28.5609 12.7772 GPRESSAVG: 3542200 -2.08087 33.3195 5.78316 35.8806 5.22687 28.9682 1.16234 28.1982 12.9024 TIMING: 3542200 CPU: 10266, 0.00287876/step Wall: 10266, 0.00287876/step, 1.16574 hours remaining, 211.894531 MB of memory in use. ENERGY: 3542200 754.5699 2153.2592 1917.3262 115.0058 -206183.0137 18035.8317 0.0000 0.0000 34335.5245 -148871.4965 299.8607 -183207.0210 -148776.6660 300.0620 134.2067 168.6632 557293.1369 5.2308 5.3495 PRESSURE: 3542400 -210.243 -71.1513 -32.8581 -71.1521 -52.7353 52.4868 -32.8579 52.4877 102.015 GPRESSURE: 3542400 -141.047 -60.3769 -24.7898 -104.959 -24.6023 58.8103 1.16898 70.7058 104.9 PRESSAVG: 3542400 -20.649 38.6803 -37.6185 38.6802 38.6919 36.5549 -37.6184 36.5549 -4.56088 GPRESSAVG: 3542400 -20.6523 38.0906 -38.3857 37.7275 39.281 36.1588 -38.2832 36.5677 -4.86022 TIMING: 3542400 CPU: 10266.6, 0.00288588/step Wall: 10266.6, 0.00288588/step, 1.16846 hours remaining, 211.894531 MB of memory in use. ENERGY: 3542400 775.5556 2078.0139 1958.2028 117.2086 -205755.5472 17736.5431 0.0000 0.0000 34437.3422 -148652.6811 300.7499 -183090.0233 -148552.3367 300.8344 -53.6545 -20.2499 558757.4241 4.4940 4.5895 PRESSURE: 3542600 -1.03837 165.181 -140.71 165.18 -139.686 54.6813 -140.71 54.6813 -300.364 GPRESSURE: 3542600 14.1255 332.741 -72.5613 91.9532 -114.538 85.0662 -110.745 12.109 -249.054 PRESSAVG: 3542600 27.3695 12.3351 -37.9752 12.3351 6.1589 57.3344 -37.9752 57.3345 -8.96727 GPRESSAVG: 3542600 26.3063 12.9699 -39.6404 12.7895 6.37013 57.0932 -35.3878 57.4263 -7.9189 TIMING: 3542600 CPU: 10267.1, 0.002876/step Wall: 10267.1, 0.002876/step, 1.1643 hours remaining, 211.894531 MB of memory in use. ENERGY: 3542600 793.8111 2097.8235 1957.6439 116.9038 -205520.8559 17555.4919 0.0000 0.0000 34336.6750 -148662.5067 299.8707 -182999.1817 -148575.7851 300.9534 -147.0295 -116.4887 559004.1780 8.1870 8.2525 PRESSURE: 3542800 -62.5727 -45.0494 138.625 -45.0493 145.956 -97.8625 138.623 -97.8626 -58.6524 GPRESSURE: 3542800 -4.22833 56.2362 113.369 -127.035 143.128 -103.505 133.303 -77.9911 -22.7327 PRESSAVG: 3542800 43.731 44.2679 -34.316 44.2678 -28.2679 -23.6876 -34.3161 -23.6876 39.9167 GPRESSAVG: 3542800 44.4011 43.8952 -33.0745 44.6521 -28.112 -22.4847 -35.6304 -22.8107 38.7025 TIMING: 3542800 CPU: 10267.7, 0.00287831/step Wall: 10267.7, 0.00287831/step, 1.16507 hours remaining, 211.894531 MB of memory in use. ENERGY: 3542800 740.0988 2102.5280 1965.5634 109.6794 -206118.0314 17762.7343 0.0000 0.0000 34676.5276 -148760.9000 302.8387 -183437.4276 -148660.1931 301.1349 8.2437 38.7223 558452.6265 18.4599 18.3305 PRESSURE: 3543000 -497.675 -191.015 -85.7334 -191.014 -35.5836 28.0082 -85.7345 28.0074 -174.655 GPRESSURE: 3543000 -463.125 -164.464 -108.657 -180.01 -27.8494 19.9681 -90.011 85.4885 -127.298 PRESSAVG: 3543000 -29.0911 4.75618 -25.292 4.75617 20.3896 21.9482 -25.292 21.9483 -21.507 GPRESSAVG: 3543000 -28.8578 4.39215 -24.3264 5.84291 20.6998 19.7225 -25.0225 23.3697 -22.3282 TIMING: 3543000 CPU: 10268.3, 0.00290519/step Wall: 10268.3, 0.00290519/step, 1.1758 hours remaining, 211.894531 MB of memory in use. ENERGY: 3543000 718.7229 2105.4417 1931.3290 115.4020 -205463.5713 17312.3535 0.0000 0.0000 34554.3068 -148726.0154 301.7714 -183280.3222 -148625.9544 300.3357 -235.9714 -206.0908 558505.1419 -10.0695 -10.1621 PRESSURE: 3543200 -30.3657 -17.0361 -151.359 -17.0341 -86.3009 105.523 -151.358 105.521 -306.909 GPRESSURE: 3543200 -24.3318 -78.3163 -49.6559 76.2392 16.1281 83.0511 -140.732 97.3472 -323.172 PRESSAVG: 3543200 28.4813 36.8469 -46.4546 36.8469 -42.0458 -45.9421 -46.4548 -45.942 -35.2102 GPRESSAVG: 3543200 28.1107 34.9577 -46.6206 37.9789 -42.4985 -44.186 -47.8295 -50.0776 -33.8274 TIMING: 3543200 CPU: 10268.9, 0.0029108/step Wall: 10268.9, 0.0029108/step, 1.1779 hours remaining, 211.894531 MB of memory in use. ENERGY: 3543200 826.2917 2064.1649 1961.6936 124.8109 -206101.7776 17849.2942 0.0000 0.0000 34501.3722 -148774.1501 301.3091 -183275.5223 -148668.3757 301.0529 -141.1917 -110.4586 558550.6238 -16.2582 -16.0717 PRESSURE: 3543400 6.36259 -15.8297 -75.6359 -15.8301 -231.007 183.482 -75.6363 183.483 -232.333 GPRESSURE: 3543400 74.3083 6.89858 -82.7155 72.6376 -226.324 247.801 -54.4986 80.7419 -200.804 PRESSAVG: 3543400 67.3114 -23.154 -11.3108 -23.1539 -23.8074 -57.3991 -11.3108 -57.3991 -33.7202 GPRESSAVG: 3543400 67.2605 -20.0518 -13.6509 -25.3683 -23.9373 -56.3294 -10.9485 -56.982 -33.7914 TIMING: 3543400 CPU: 10269.5, 0.00288521/step Wall: 10269.5, 0.00288521/step, 1.16739 hours remaining, 211.894531 MB of memory in use. ENERGY: 3543400 717.2361 2135.3512 1919.3119 101.3532 -205460.8875 17485.5651 0.0000 0.0000 34391.6909 -148710.3791 300.3512 -183102.0700 -148614.0671 300.3451 -152.3258 -117.6065 559535.5153 3.2613 3.1773 PRESSURE: 3543600 -124.571 -25.072 -74.7798 -25.0711 -275.209 130.387 -74.7795 130.386 -47.9973 GPRESSURE: 3543600 -47.2856 -88.0297 -165.328 -45.7111 -219.673 126.554 60.5508 122.747 -82.7526 PRESSAVG: 3543600 58.2264 -19.1581 -15.4456 -19.1581 -27.4797 50.1044 -15.4455 50.1044 -20.0694 GPRESSAVG: 3543600 57.8517 -20.162 -13.8859 -17.206 -26.6773 49.5166 -15.3461 51.1681 -20.6933 TIMING: 3543600 CPU: 10270, 0.00288247/step Wall: 10270, 0.00288247/step, 1.16612 hours remaining, 211.894531 MB of memory in use. ENERGY: 3543600 717.3097 2112.4602 1930.1880 113.5116 -205593.2259 17622.1530 0.0000 0.0000 34275.4328 -148822.1707 299.3359 -183097.6035 -148730.6833 300.2001 -149.2591 -116.5705 559328.4144 3.5591 3.4937 PRESSURE: 3543800 53.7442 -96.5533 -15.6992 -96.5535 -47.7209 -8.40963 -15.6983 -8.40965 319.539 GPRESSURE: 3543800 24.3908 -85.8006 -96.1291 -26.088 9.64525 7.09445 51.385 -7.72003 388.556 PRESSAVG: 3543800 53.1208 -9.89786 67.2814 -9.89785 -33.7682 8.99321 67.2814 8.99308 -16.8938 GPRESSAVG: 3543800 52.9317 -9.17157 65.5513 -10.7621 -34.3752 8.44872 68.8157 9.8674 -15.8132 TIMING: 3543800 CPU: 10270.6, 0.00288165/step Wall: 10270.6, 0.00288165/step, 1.16563 hours remaining, 211.894531 MB of memory in use. ENERGY: 3543800 733.0755 2139.1500 1960.0035 124.3533 -206098.3945 17796.3657 0.0000 0.0000 34591.8748 -148753.5717 302.0994 -183345.4465 -148665.7983 300.5290 108.5209 140.8640 557470.7762 0.8196 0.9144 PRESSURE: 3544000 -42.1727 121.208 50.1105 121.207 5.02772 32.3637 50.11 32.3639 40.414 GPRESSURE: 3544000 -58.0072 41.9141 116.495 165.126 23.6406 -14.6164 -8.80705 44.7823 129.349 PRESSAVG: 3544000 -22.8713 32.3926 53.5069 32.3926 -53.3432 43.6791 53.5069 43.6791 93.5443 GPRESSAVG: 3544000 -23.7329 31.7906 52.5258 31.5064 -51.9941 44.1298 54.199 44.1477 93.3537 TIMING: 3544000 CPU: 10271.2, 0.00287268/step Wall: 10271.2, 0.00287268/step, 1.16184 hours remaining, 211.894531 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: 3544000 738.5610 2100.5424 1941.0026 120.9769 -205724.4583 17679.5734 0.0000 0.0000 34347.5718 -148796.2303 299.9659 -183143.8021 -148695.6334 300.7811 1.0897 31.6607 557373.4019 5.7766 5.8756 PRESSURE: 3544200 12.1801 -45.4693 30.1188 -45.4685 25.4641 35.4639 30.1178 35.4636 87.5587 GPRESSURE: 3544200 56.7913 -82.7104 44.6169 -4.47399 65.2162 -15.5636 -48.3785 19.687 95.2586 PRESSAVG: 3544200 50.0582 11.1546 17.6627 11.1544 -40.0497 61.9232 17.6628 61.9232 -33.4502 GPRESSAVG: 3544200 51.0937 11.5714 18.2493 10.5914 -40.0958 62.4657 15.9768 60.7296 -34.3396 TIMING: 3544200 CPU: 10271.8, 0.00287793/step Wall: 10271.8, 0.00287793/step, 1.1638 hours remaining, 211.894531 MB of memory in use. ENERGY: 3544200 708.5378 2096.0385 1936.0886 110.5956 -206028.6973 17900.3030 0.0000 0.0000 34444.7836 -148832.3503 300.8149 -183277.1339 -148741.5743 300.6923 41.7343 72.4220 557398.8596 -7.8139 -7.7806 LDB: ============= START OF LOAD BALANCING ============== 10275.1 LDB: ============== END OF LOAD BALANCING =============== 10275.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10275.1 LDB: ============= START OF LOAD BALANCING ============== 10275.4 LDB: Largest compute 4792 load 0.030516 is 25.9% of average load 0.117935 LDB: Average compute 0.001731 is 1.5% of average load 0.117935 LDB: TIME 10275.4 LOAD: AVG 0.117935 MAX 0.179445 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 10275.4 LOAD: AVG 0.117935 MAX 0.179445 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 10275.4 LOAD: AVG 0.117935 MAX 0.179445 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 10275.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10275.4 PRESSURE: 3544400 155.116 92.6002 -54.8353 92.6 182.477 212.514 -54.8363 212.513 121.042 GPRESSURE: 3544400 273.236 129.304 6.07464 25.2501 172.145 164.046 -16.7902 235.204 111.363 PRESSAVG: 3544400 58.9797 -10.0822 48.1883 -10.0822 8.63075 36.9807 48.1883 36.9807 -26.4968 GPRESSAVG: 3544400 58.4983 -10.0023 50.2308 -8.49607 8.52012 36.0733 45.2761 37.2046 -25.5234 TIMING: 3544400 CPU: 10272.3, 0.00293188/step Wall: 10272.3, 0.00293188/step, 1.18546 hours remaining, 211.121094 MB of memory in use. ENERGY: 3544400 749.0385 2062.4319 1929.2733 115.6125 -206543.8823 18184.9740 0.0000 0.0000 34433.6690 -149068.8832 300.7178 -183502.5522 -148970.1494 299.8506 152.8785 185.5813 557335.7418 13.7045 13.8317 PRESSURE: 3544600 -111.444 29.5948 142.266 29.5963 -49.1241 157.24 142.266 157.241 -158.963 GPRESSURE: 3544600 -104.526 23.9204 127.514 51.9079 26.1503 226.291 98.2153 108.32 -150.7 PRESSAVG: 3544600 64.1042 20.7042 37.1394 20.7043 18.4176 89.0757 37.1394 89.0757 -99.1969 GPRESSAVG: 3544600 64.5703 20.8012 35.5564 19.6633 17.8657 91.091 39.657 87.4351 -99.65 TIMING: 3544600 CPU: 10272.9, 0.00286033/step Wall: 10272.9, 0.00286033/step, 1.15637 hours remaining, 211.121094 MB of memory in use. ENERGY: 3544600 771.3460 2101.4549 1929.6831 120.3017 -206196.9935 17801.1646 0.0000 0.0000 34330.2942 -149142.7489 299.8150 -183473.0431 -149038.8116 300.0008 -106.5102 -76.3586 558199.7817 -5.5584 -5.7380 PRESSURE: 3544800 -188.737 19.9242 113.39 19.9236 180.011 -3.53946 113.391 -3.54058 -91.9931 GPRESSURE: 3544800 -106.736 2.84821 115.502 -5.52894 223.232 -87.1765 144.761 51.7869 -120.72 PRESSAVG: 3544800 -21.6779 -9.03801 45.5723 -9.03801 104.859 -0.694507 45.5724 -0.694542 -53.0916 GPRESSAVG: 3544800 -20.829 -9.92457 45.7444 -8.13548 104.204 -3.35549 43.38 1.6503 -53.3867 TIMING: 3544800 CPU: 10273.5, 0.00289018/step Wall: 10273.5, 0.00289018/step, 1.16828 hours remaining, 211.121094 MB of memory in use. ENERGY: 3544800 733.9396 2123.5081 1935.9064 111.8570 -206199.2935 17898.7989 0.0000 0.0000 34253.1070 -149142.1766 299.1409 -183395.2836 -149046.5423 299.5974 -33.5730 -1.4077 558574.5172 10.0298 9.9963 PRESSURE: 3545000 -142.465 -16.9509 -136.421 -16.951 382 -37.5514 -136.42 -37.5528 22.693 GPRESSURE: 3545000 -107.927 3.25461 -260.569 -15.0456 363.77 -67.9764 -66.8482 -7.08631 107.329 PRESSAVG: 3545000 -43.437 -13.9457 56.3081 -13.9457 44.6646 -27.4446 56.3081 -27.4444 -24.6385 GPRESSAVG: 3545000 -43.5518 -12.0266 55.0249 -16.0612 44.0005 -28.3555 59.0013 -26.1836 -24.3945 TIMING: 3545000 CPU: 10274.1, 0.00291397/step Wall: 10274.1, 0.00291397/step, 1.17773 hours remaining, 211.121094 MB of memory in use. ENERGY: 3545000 784.7784 2067.7243 1919.9529 95.3229 -206004.9890 17963.8743 0.0000 0.0000 34249.7989 -148923.5372 299.1120 -183173.3361 -148838.0045 299.1023 87.4093 121.0577 557802.7285 -7.8037 -7.9819 PRESSURE: 3545200 -127.053 -172.91 67.1302 -172.91 -202.911 48.8788 67.1307 48.8785 -274.068 GPRESSURE: 3545200 -79.3744 -190.577 42.3054 -145.037 -122.023 -42.6676 142.164 69.672 -283.382 PRESSAVG: 3545200 0.684754 -96.2893 47.2691 -96.2893 5.54313 13.4193 47.2691 13.4192 11.3321 GPRESSAVG: 3545200 -0.133851 -96.9241 47.1366 -94.9647 5.75636 12.9542 47.7959 14.0012 11.851 TIMING: 3545200 CPU: 10274.7, 0.00288346/step Wall: 10274.7, 0.00288346/step, 1.16524 hours remaining, 211.121094 MB of memory in use. ENERGY: 3545200 772.3505 2073.7437 1955.2789 114.6289 -205883.6314 17491.9248 0.0000 0.0000 34488.1140 -148987.5907 301.1933 -183475.7047 -148885.9295 299.3635 -201.3440 -161.5934 556729.6662 5.8533 5.8245 PRESSURE: 3545400 -216.634 79.561 102.384 79.5606 -83.835 -58.013 102.383 -58.0134 -147.97 GPRESSURE: 3545400 -195.349 109.187 182.82 46.8307 -88.0291 -128.816 -4.30034 -53.2383 -66.6315 PRESSAVG: 3545400 46.5764 -50.7697 74.8747 -50.7696 20.9431 6.77163 74.8747 6.77155 -14.3007 GPRESSAVG: 3545400 46.585 -50.6689 74.9782 -49.5518 20.4579 5.83403 74.8372 7.35427 -13.9255 TIMING: 3545400 CPU: 10275.2, 0.00288387/step Wall: 10275.2, 0.00288387/step, 1.16525 hours remaining, 211.121094 MB of memory in use. ENERGY: 3545400 725.5106 2061.3758 1929.6066 106.3447 -205970.2883 17641.9420 0.0000 0.0000 34346.0720 -149159.4365 299.9528 -183505.5085 -149062.7618 300.1734 -149.4798 -116.6700 558835.4171 17.7396 17.7058 PRESSURE: 3545600 -96.8269 54.0441 113.825 54.0431 98.8781 58.7265 113.826 58.7261 -37.0269 GPRESSURE: 3545600 -55.0689 -11.768 124.92 105.552 109.997 82.0844 87.4165 32.6588 5.91528 PRESSAVG: 3545600 -62.3882 -10.5781 12.2316 -10.5781 41.4526 11.1221 12.2316 11.1221 22.871 GPRESSAVG: 3545600 -62.4227 -10.8641 11.9664 -12.1264 40.4768 13.8357 12.9679 7.20379 23.2796 TIMING: 3545600 CPU: 10275.8, 0.00286226/step Wall: 10275.8, 0.00286226/step, 1.15635 hours remaining, 211.121094 MB of memory in use. ENERGY: 3545600 738.6102 2119.5320 1941.6609 102.7819 -206474.2358 17931.9589 0.0000 0.0000 34288.7125 -149350.9793 299.4519 -183639.6918 -149254.5699 299.6179 -11.6586 20.2811 559082.2518 0.6451 0.4446 PRESSURE: 3545800 -8.03663 -47.8996 -61.7614 -47.8996 -174.962 -45.5542 -61.7609 -45.5527 39.3261 GPRESSURE: 3545800 -38.2322 -75.6725 -39.124 -1.07959 -118.208 17.6896 -86.5831 -75.8377 100.798 PRESSAVG: 3545800 -27.2549 -25.3492 -13.5525 -25.3492 -19.613 -21.3858 -13.5525 -21.3857 12.5506 GPRESSAVG: 3545800 -27.6557 -26.1675 -12.9626 -24.2484 -17.6128 -22.3072 -13.3304 -18.069 11.3993 TIMING: 3545800 CPU: 10276.4, 0.00290961/step Wall: 10276.4, 0.00290961/step, 1.17532 hours remaining, 211.121094 MB of memory in use. ENERGY: 3545800 726.9702 2173.8269 1941.8263 110.3439 -206159.5964 17772.2265 0.0000 0.0000 34119.2477 -149315.1549 297.9719 -183434.4026 -149222.6778 298.3760 -47.8910 -18.5473 558075.7670 -11.4391 -11.2897 PRESSURE: 3546000 -309.944 93.9019 -3.30027 93.9017 -474.572 -36.726 -3.30086 -36.7268 -133.583 GPRESSURE: 3546000 -245.997 106.596 62.5127 76.2055 -434.137 -61.3314 -74.751 -14.5466 -138.856 PRESSAVG: 3546000 67.2017 84.3251 -61.8617 84.3251 -51.6698 -9.82458 -61.8617 -9.82451 -3.83595 GPRESSAVG: 3546000 68.3722 85.5734 -60.3726 84.2067 -53.248 -9.4767 -64.5984 -11.356 -3.52677 TIMING: 3546000 CPU: 10277, 0.0029216/step Wall: 10277, 0.0029216/step, 1.18 hours remaining, 211.324219 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: 3546000 787.0924 2150.8087 1934.3325 104.9948 -206118.2009 17460.5848 0.0000 0.0000 34283.8113 -149396.5764 299.4091 -183680.3877 -149298.6026 299.6714 -306.0330 -272.9970 558040.1864 3.8986 3.8658 PRESSURE: 3546200 -171.812 -16.4967 -76.1703 -16.4976 -190.187 -53.4476 -76.1715 -53.448 68.5837 GPRESSURE: 3546200 -121.626 52.089 -71.6432 -40.0713 -177.891 -59.261 -24.1668 -41.844 94.8512 PRESSAVG: 3546200 57.5045 33.1381 7.59883 33.138 -66.1715 -9.64814 7.59889 -9.64811 34.8338 GPRESSAVG: 3546200 57.8721 32.2937 5.85636 32.5851 -67.3699 -10.9781 8.69571 -9.97791 35.4923 TIMING: 3546200 CPU: 10277.5, 0.00290801/step Wall: 10277.5, 0.00290801/step, 1.17435 hours remaining, 211.324219 MB of memory in use. ENERGY: 3546200 760.2342 2106.5057 1928.7033 99.8367 -206250.8152 17719.5924 0.0000 0.0000 34384.7751 -149251.1679 300.2908 -183635.9430 -149160.0653 299.0369 -97.8052 -68.2219 556980.7736 8.7223 8.6649 PRESSURE: 3546400 -19.1395 72.9165 -66.3757 72.9158 179.397 79.6672 -66.3753 79.6668 -55.5997 GPRESSURE: 3546400 24.2821 33.8471 1.13749 7.80808 203.033 81.2626 -93.3617 74.5246 -20.2613 PRESSAVG: 3546400 -1.40288 73.8666 -8.60633 73.8667 -29.5996 -8.42766 -8.60631 -8.42768 12.494 GPRESSAVG: 3546400 -2.58086 73.8655 -9.23169 75.6097 -27.9284 -8.64929 -4.67094 -7.75248 12.1642 TIMING: 3546400 CPU: 10278.1, 0.00292249/step Wall: 10278.1, 0.00292249/step, 1.18004 hours remaining, 211.324219 MB of memory in use. ENERGY: 3546400 772.9970 2089.5567 1933.6436 97.4817 -206255.7739 17894.1368 0.0000 0.0000 34395.3197 -149072.6385 300.3829 -183467.9582 -148970.6255 298.8909 34.8858 69.0180 556915.4379 -6.1695 -6.1150 PRESSURE: 3546600 129.043 213.024 -45.6924 213.022 128.824 -101.857 -45.6923 -101.856 -86.1673 GPRESSURE: 3546600 167.558 137.279 -68.5405 209.487 128.821 -171.688 -188.426 -120.243 -23.1751 PRESSAVG: 3546600 -20.7617 75.522 21.4948 75.522 -14.5971 21.1653 21.4948 21.1654 24.5261 GPRESSAVG: 3546600 -20.0883 75.7801 22.9486 75.9667 -14.7705 21.3163 18.1193 19.0732 23.8844 TIMING: 3546600 CPU: 10278.7, 0.00290486/step Wall: 10278.7, 0.00290486/step, 1.17276 hours remaining, 211.324219 MB of memory in use. ENERGY: 3546600 733.9190 2113.4830 1960.8447 115.1778 -206053.4562 17792.7960 0.0000 0.0000 34100.5440 -149236.6917 297.8085 -183337.2357 -149147.1085 299.2961 57.2333 91.0680 557041.7886 -3.6109 -3.6582 PRESSURE: 3546800 -362.34 100.436 93.9982 100.436 -399.819 107.605 93.9976 107.604 -24.8581 GPRESSURE: 3546800 -300.999 96.9548 19.4165 71.0152 -338.852 132.865 133.877 56.8156 -39.0798 PRESSAVG: 3546800 -13.4508 49.8129 -41.7223 49.813 -58.3591 68.6222 -41.7223 68.6222 87.3147 GPRESSAVG: 3546800 -14.1574 51.5927 -41.7939 47.4852 -57.5652 70.3454 -41.334 70.17 86.9973 TIMING: 3546800 CPU: 10279.3, 0.00289544/step Wall: 10279.3, 0.00289544/step, 1.16879 hours remaining, 211.324219 MB of memory in use. ENERGY: 3546800 744.3145 2111.1262 1948.1081 114.9216 -205820.8664 17498.1998 0.0000 0.0000 34128.9579 -149275.2383 298.0567 -183404.1962 -149180.9341 300.0100 -262.3389 -226.3104 559136.0853 5.1683 5.0916 PRESSURE: 3547000 -81.6573 8.12895 -4.26436 8.12834 -271.563 -2.50663 -4.26428 -2.50572 19.1915 GPRESSURE: 3547000 -52.9053 -18.9417 55.3068 -9.80349 -179.822 -24.3138 -13.5579 2.47803 0.755901 PRESSAVG: 3547000 -10.0654 34.5737 -1.27544 34.5736 -10.4635 13.0034 -1.2755 13.0034 0.871326 GPRESSAVG: 3547000 -10.4091 33.6264 -0.309268 34.0895 -10.8969 11.0511 -1.48796 13.6577 1.59731 TIMING: 3547000 CPU: 10279.9, 0.00288173/step Wall: 10279.9, 0.00288173/step, 1.1631 hours remaining, 211.324219 MB of memory in use. ENERGY: 3547000 717.2665 2134.1651 1918.1203 101.3856 -206486.7481 17810.5868 0.0000 0.0000 34246.1047 -149559.1192 299.0797 -183805.2238 -149462.2728 298.2446 -111.3429 -77.3239 558823.1766 -6.5525 -6.5696 PRESSURE: 3547200 124.361 -36.8577 101.465 -36.8587 125.213 -102.389 101.465 -102.389 29.223 GPRESSURE: 3547200 181.88 -106.999 162.139 20.8098 100.086 -99.3018 144.095 -98.9567 99.8723 PRESSAVG: 3547200 27.5537 3.3281 -6.97121 3.32812 -16.7138 6.36214 -6.97126 6.36227 11.7872 GPRESSAVG: 3547200 27.0698 2.98116 -8.43265 4.05549 -17.4826 7.73949 -6.63683 6.2427 13.2579 TIMING: 3547200 CPU: 10280.4, 0.00288058/step Wall: 10280.4, 0.00288058/step, 1.16247 hours remaining, 211.324219 MB of memory in use. ENERGY: 3547200 710.5530 2075.3038 1944.6969 107.7283 -206657.2924 18168.7228 0.0000 0.0000 34269.8347 -149380.4530 299.2870 -183650.2876 -149283.0420 298.6772 92.9326 127.2795 559004.7719 7.5423 7.6150 PRESSURE: 3547400 -134.282 -67.4249 2.25679 -67.4248 31.7271 2.44883 2.25737 2.45115 180.57 GPRESSURE: 3547400 -70.5212 37.3254 -12.2535 -100.421 20.1645 -38.6892 -57.1151 44.8993 222.043 PRESSAVG: 3547400 58.4793 -40.0408 37.715 -40.0409 -43.1347 -24.9168 37.715 -24.9167 -19.0639 GPRESSAVG: 3547400 58.9505 -38.8686 38.5798 -39.8012 -43.2101 -26.0906 36.9412 -26.1571 -19.9771 TIMING: 3547400 CPU: 10281, 0.00289825/step Wall: 10281, 0.00289825/step, 1.16944 hours remaining, 211.324219 MB of memory in use. ENERGY: 3547400 765.1847 2093.8543 1941.2738 104.0733 -206514.3223 17980.8564 0.0000 0.0000 34315.3206 -149313.7592 299.6842 -183629.0798 -149221.6811 298.9464 26.0048 57.2287 558768.2877 -1.2398 -1.4122 PRESSURE: 3547600 321.855 220.135 -89.4412 220.136 27.2301 78.9367 -89.4412 78.9354 223.144 GPRESSURE: 3547600 292.382 188.979 -33.6727 200.958 103.334 118.571 -53.4252 104.078 284.347 PRESSAVG: 3547600 -34.1678 -0.479799 -46.2566 -0.479812 12.7502 23.009 -46.2566 23.009 15.2094 GPRESSAVG: 3547600 -32.9307 -1.76682 -45.1391 -1.78499 12.8581 23.0206 -46.2319 24.1266 14.1598 TIMING: 3547600 CPU: 10281.6, 0.00289886/step Wall: 10281.6, 0.00289886/step, 1.16953 hours remaining, 211.324219 MB of memory in use. ENERGY: 3547600 785.0546 2057.3314 1906.1616 101.5076 -206684.2642 18375.5156 0.0000 0.0000 34301.2033 -149157.4902 299.5609 -183458.6934 -149064.6742 299.0465 190.7432 226.6876 558191.9008 -2.0694 -1.9709 PRESSURE: 3547800 150.388 -60.1006 119.023 -60.1005 -4.01116 4.8563 119.025 4.85497 -108.207 GPRESSURE: 3547800 197.253 -17.8119 149.642 -81.117 59.1842 -2.87542 171.902 11.1526 -130.783 PRESSAVG: 3547800 -1.29676 50.6152 67.9586 50.6154 -12.4588 5.6204 67.9585 5.62026 -22.0791 GPRESSAVG: 3547800 -1.95654 51.3424 65.8712 51.6792 -13.3626 3.48012 68.6081 6.72128 -21.3526 TIMING: 3547800 CPU: 10282.2, 0.00289746/step Wall: 10282.2, 0.00289746/step, 1.1688 hours remaining, 211.324219 MB of memory in use. ENERGY: 3547800 745.5751 2123.1434 1940.7492 122.3540 -205960.0061 17770.1022 0.0000 0.0000 34177.6620 -149080.4201 298.4820 -183258.0821 -148989.6768 299.2218 12.7233 41.8849 558835.2211 -11.9449 -12.2239 PRESSURE: 3548000 72.4574 -37.8844 -43.4764 -37.8839 135.686 162.82 -43.4772 162.819 136.551 GPRESSURE: 3548000 108.349 -40.0586 -54.8801 -19.7097 151.609 120.547 28.3956 113.388 189.963 PRESSAVG: 3548000 64.3628 19.0598 39.8159 19.0598 -33.6746 42.3218 39.8159 42.3218 -53.3412 GPRESSAVG: 3548000 63.9632 17.6955 40.0544 18.5394 -32.8568 43.5918 39.5374 41.5136 -53.7559 TIMING: 3548000 CPU: 10282.8, 0.00287586/step Wall: 10282.8, 0.00287586/step, 1.15993 hours remaining, 211.324219 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: 3548000 765.3596 2095.3818 1913.5199 115.2457 -206225.0276 17979.9978 0.0000 0.0000 34338.5173 -149017.0054 299.8868 -183355.5227 -148919.9047 299.2882 114.8984 149.9736 557466.5847 -7.5510 -7.5498 PRESSURE: 3548200 -12.6304 75.6266 47.4029 75.6251 231.079 47.4783 47.402 47.4793 157.028 GPRESSURE: 3548200 56.3958 121.152 -6.24105 29.6125 212.695 17.1093 17.1933 -12.9616 201.767 PRESSAVG: 3548200 49.3788 -33.6074 40.1801 -33.6073 -17.7602 85.4636 40.1802 85.4636 23.1756 GPRESSAVG: 3548200 48.7801 -33.9396 42.9828 -34.2054 -17.8761 85.9527 37.5155 86.1233 23.7905 TIMING: 3548200 CPU: 10283.3, 0.0028696/step Wall: 10283.3, 0.0028696/step, 1.15724 hours remaining, 211.324219 MB of memory in use. ENERGY: 3548200 724.4616 2065.8704 1939.1800 110.9561 -206316.3322 17899.0325 0.0000 0.0000 34394.5653 -149182.2664 300.3763 -183576.8317 -149080.6429 299.3234 125.1586 156.9527 557304.7950 18.2648 18.2315 LDB: ============= START OF LOAD BALANCING ============== 10286.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10286.7 LDB: =============== DONE WITH MIGRATION ================ 10286.7 LDB: ============= START OF LOAD BALANCING ============== 10287 LDB: Largest compute 4792 load 0.030055 is 25.5% of average load 0.118017 LDB: Average compute 0.001737 is 1.5% of average load 0.118017 LDB: TIME 10287 LOAD: AVG 0.118017 MAX 0.180022 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 10287 LOAD: AVG 0.118017 MAX 0.180022 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 10287 LOAD: AVG 0.118017 MAX 0.180022 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: ============== END OF LOAD BALANCING =============== 10287 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10287 PRESSURE: 3548400 101.988 62.187 134.356 62.1871 136.713 117.141 134.356 117.139 -312.979 GPRESSURE: 3548400 143.219 125.238 184.471 37.1714 180.655 109.834 122.272 105.872 -307.169 PRESSAVG: 3548400 -45.8433 74.0249 -4.19435 74.0251 20.1947 43.976 -4.19424 43.9759 21.293 GPRESSAVG: 3548400 -45.262 75.7762 -7.14298 72.5998 20.3083 46.0847 -0.817967 43.7544 20.8887 TIMING: 3548400 CPU: 10283.9, 0.00292727/step Wall: 10283.9, 0.00292727/step, 1.18034 hours remaining, 211.890625 MB of memory in use. ENERGY: 3548400 745.9733 2071.3391 1919.7459 106.2490 -205967.1404 17657.9324 0.0000 0.0000 34337.7743 -149128.1264 299.8803 -183465.9006 -149021.7186 298.8735 -24.7594 5.5681 556786.3998 -1.4519 -1.3550 PRESSURE: 3548600 107.702 62.0942 -39.9514 62.0935 146.297 -76.3031 -39.9517 -76.3027 -172.182 GPRESSURE: 3548600 131.298 81.2422 -44.8859 143.253 220.843 -39.1025 -44.7681 -189.498 -170.523 PRESSAVG: 3548600 55.3789 35.1805 29.8903 35.1804 8.59462 31.2664 29.8902 31.2664 -17.4448 GPRESSAVG: 3548600 54.3646 35.6641 29.9451 38.828 9.23634 28.6661 29.2232 29.5544 -16.7645 TIMING: 3548600 CPU: 10284.5, 0.00288529/step Wall: 10284.5, 0.00288529/step, 1.16325 hours remaining, 212.093750 MB of memory in use. ENERGY: 3548600 717.5645 2088.7569 1950.2040 109.9370 -206300.3095 17771.1531 0.0000 0.0000 34551.5045 -149111.1894 301.7469 -183662.6939 -149024.1615 299.6707 27.2720 60.5394 557285.3772 15.5096 15.6121 PRESSURE: 3548800 -46.0403 -132.341 -48.5889 -132.341 -285.423 60.4257 -48.5896 60.4247 51.5074 GPRESSURE: 3548800 -39.9134 -85.6057 -7.86226 -140.36 -187.217 -29.832 -73.0118 92.8267 66.1026 PRESSAVG: 3548800 -8.69003 -34.1984 -47.0467 -34.1984 -20.9779 65.2245 -47.0467 65.2245 18.076 GPRESSAVG: 3548800 -8.74903 -34.3051 -45.9608 -35.0174 -20.8752 65.526 -47.0706 66.5492 18.0707 TIMING: 3548800 CPU: 10285.1, 0.00287975/step Wall: 10285.1, 0.00287975/step, 1.16086 hours remaining, 212.093750 MB of memory in use. ENERGY: 3548800 753.1166 2071.3646 1960.9162 120.4644 -206041.0891 17689.4065 0.0000 0.0000 34378.0603 -149067.7605 300.2322 -183445.8208 -148967.3094 300.1843 -93.3187 -53.6760 557748.9848 -3.8640 -3.8512 PRESSURE: 3549000 139.152 -21.5359 16.4886 -21.5366 -146.786 -93.3753 16.4883 -93.3741 142.298 GPRESSURE: 3549000 186.184 25.8637 -61.2764 -100.274 -140.666 -43.2539 37.8253 -145.996 192.127 PRESSAVG: 3549000 26.7945 -31.9338 -80.7199 -31.9338 -67.8114 40.2809 -80.7199 40.2809 19.665 GPRESSAVG: 3549000 27.271 -33.678 -81.4196 -34.5578 -68.5614 40.4498 -80.8459 39.9334 19.9204 TIMING: 3549000 CPU: 10285.6, 0.00288724/step Wall: 10285.6, 0.00288724/step, 1.16372 hours remaining, 212.093750 MB of memory in use. ENERGY: 3549000 741.8740 2024.5879 1927.1922 114.8729 -206043.5033 17789.0017 0.0000 0.0000 34105.3945 -149340.5802 297.8509 -183445.9747 -149240.9789 299.1864 44.8881 79.2149 558351.5714 -7.1173 -7.1234 PRESSURE: 3549200 -91.2258 52.2885 -97.3137 52.2881 143.242 63.1079 -97.3127 63.1085 218.472 GPRESSURE: 3549200 -77.6445 40.8252 -72.3664 91.9063 199.906 27.4661 -6.57475 75.9918 242.077 PRESSAVG: 3549200 -7.73849 8.01009 -28.1255 8.01 -47.7565 53.5823 -28.1256 53.5822 80.8794 GPRESSAVG: 3549200 -7.60267 7.56373 -28.7936 10.7572 -47.3165 52.5859 -28.1159 54.4305 80.1708 TIMING: 3549200 CPU: 10286.2, 0.00288537/step Wall: 10286.2, 0.00288537/step, 1.1628 hours remaining, 212.093750 MB of memory in use. ENERGY: 3549200 710.5375 2076.8651 1936.4159 111.1645 -206165.8713 17859.3267 0.0000 0.0000 34156.8039 -149314.7576 298.2999 -183471.5616 -149217.5083 298.5796 90.1627 121.4462 556984.8803 8.4615 8.4172 PRESSURE: 3549400 278.463 -12.3969 -157.425 -12.3989 201.854 -126.416 -157.426 -126.417 184.594 GPRESSURE: 3549400 263.309 -70.2624 -97.353 56.4218 263.268 -60.0606 -205.889 -182.803 236.236 PRESSAVG: 3549400 28.5796 -15.9905 -26.2522 -15.9906 -19.4493 -48.0368 -26.2522 -48.0368 22.5578 GPRESSAVG: 3549400 27.9867 -14.9434 -26.644 -16.1953 -18.9504 -47.051 -25.9039 -47.8506 22.2771 TIMING: 3549400 CPU: 10286.8, 0.0029048/step Wall: 10286.8, 0.0029048/step, 1.17047 hours remaining, 212.093750 MB of memory in use. ENERGY: 3549400 740.1565 2080.3890 1939.4141 109.9231 -206312.7580 18023.3235 0.0000 0.0000 34283.9864 -149135.5654 299.4106 -183419.5518 -149043.2212 298.9257 221.6372 254.2712 556049.4577 10.5627 10.4378 PRESSURE: 3549600 3.46922 27.9091 -0.385241 27.9077 -206.879 -16.8289 -0.385851 -16.828 73.1864 GPRESSURE: 3549600 54.8659 145.425 -125.503 24.8162 -216.477 -76.9247 -5.72151 -37.517 131.482 PRESSAVG: 3549600 11.8328 27.3175 -2.91851 27.3174 -63.1003 -20.7338 -2.91853 -20.7337 18.0734 GPRESSAVG: 3549600 13.1882 28.3787 -2.99619 26.5998 -63.5656 -23.0234 -3.76303 -21.1312 17.3267 TIMING: 3549600 CPU: 10287.4, 0.00292144/step Wall: 10287.4, 0.00292144/step, 1.17702 hours remaining, 212.093750 MB of memory in use. ENERGY: 3549600 747.7847 2104.8734 1948.9239 105.1084 -206061.9479 17725.7999 0.0000 0.0000 34251.2800 -149178.1775 299.1249 -183429.4575 -149080.9308 299.8491 -43.4078 -10.0431 556543.7129 -11.0647 -11.0169 PRESSURE: 3549800 113.003 -97.9478 -57.2631 -97.9496 0.921051 -182.92 -57.2637 -182.919 -124.351 GPRESSURE: 3549800 133.971 -52.4626 -134.554 -114.257 40.0901 -253.94 40.9597 -154.131 -91.6928 PRESSAVG: 3549800 24.3448 -46.242 -23.8696 -46.242 -14.1592 -29.0837 -23.8695 -29.0837 7.86465 GPRESSAVG: 3549800 23.6031 -48.0492 -24.1043 -45.6753 -14.4585 -26.6476 -23.936 -28.7344 8.45652 TIMING: 3549800 CPU: 10288, 0.0029087/step Wall: 10288, 0.0029087/step, 1.17172 hours remaining, 212.093750 MB of memory in use. ENERGY: 3549800 748.0906 2112.0760 1905.9052 107.2295 -206408.5410 17807.7521 0.0000 0.0000 34356.1196 -149371.3680 300.0405 -183727.4876 -149275.8807 298.6910 -3.4757 27.4560 556142.2041 6.0168 5.8670 PRESSURE: 3550000 69.9217 -36.6703 -91.4928 -36.6696 -131.957 -3.91382 -91.4932 -3.91449 55.9825 GPRESSURE: 3550000 126.788 -102.731 -77.0528 51.0885 -80.5077 115.453 -120.984 -26.3358 44.6372 PRESSAVG: 3550000 -3.47416 -70.7156 -25.8694 -70.7156 5.8058 -23.6435 -25.8695 -23.6435 35.0952 GPRESSAVG: 3550000 -3.4999 -69.8092 -25.7202 -71.5768 6.18166 -22.647 -24.9498 -25.619 35.3923 TIMING: 3550000 CPU: 10288.6, 0.00291392/step Wall: 10288.6, 0.00291392/step, 1.17366 hours remaining, 212.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3550000 723.4364 2031.4433 1930.2310 112.2105 -206254.7461 17786.0602 0.0000 0.0000 34335.5753 -149335.7894 299.8611 -183671.3647 -149240.6224 298.6915 -2.0177 30.3057 558027.1508 12.4756 12.6914 PRESSURE: 3550200 -81.9446 199.755 45.6078 199.754 145.067 73.6407 45.6084 73.6405 38.1569 GPRESSURE: 3550200 -8.62439 268.312 182.851 145.731 161.753 3.86738 -62.6178 51.9112 54.9115 PRESSAVG: 3550200 -46.8518 21.2896 1.27729 21.2897 -11.6254 -23.9398 1.27734 -23.9399 61.8159 GPRESSAVG: 3550200 -45.9044 20.3925 3.17415 20.9841 -11.864 -26.4997 1.39821 -21.4709 61.7222 TIMING: 3550200 CPU: 10289.1, 0.00291983/step Wall: 10289.1, 0.00291983/step, 1.17588 hours remaining, 212.093750 MB of memory in use. ENERGY: 3550200 764.3286 2106.5425 1936.0612 117.9705 -206068.6380 17744.3737 0.0000 0.0000 34305.5197 -149093.8418 299.5986 -183399.3615 -149006.0626 299.3329 33.7596 69.3468 557612.5501 1.1129 1.3179 PRESSURE: 3550400 -57.963 150.949 7.85948 150.951 -277.738 -66.4577 7.85961 -66.4588 194.919 GPRESSURE: 3550400 -14.1436 148.249 50.0529 109.734 -243.967 -33.2404 33.7103 -93.9566 210.324 PRESSAVG: 3550400 -47.6013 37.8671 -22.1497 37.867 11.6134 -47.0067 -22.1499 -47.0067 40.8246 GPRESSAVG: 3550400 -48.6774 40.3213 -21.743 36.9104 12.8409 -45.2812 -20.8036 -47.7521 40.7594 TIMING: 3550400 CPU: 10289.7, 0.00290392/step Wall: 10289.7, 0.00290392/step, 1.16931 hours remaining, 212.093750 MB of memory in use. ENERGY: 3550400 745.7374 2093.0116 1959.6573 118.9268 -206197.3610 17778.7639 0.0000 0.0000 34214.9277 -149286.3364 298.8075 -183501.2641 -149188.4595 299.7744 -46.9271 -15.9291 558326.2957 1.6123 1.6410 PRESSURE: 3550600 202.356 14.7399 -115.623 14.739 67.4703 104.208 -115.624 104.21 -207.478 GPRESSURE: 3550600 180.355 50.0974 -145.56 75.7322 43.9074 124.885 -54.7542 4.61487 -67.3799 PRESSAVG: 3550600 6.76946 8.651 8.34014 8.65099 9.24951 -1.88364 8.34009 -1.88366 18.6742 GPRESSAVG: 3550600 6.86111 6.82298 7.10554 8.5671 7.87506 -2.65498 6.14114 0.120658 20.3123 TIMING: 3550600 CPU: 10290.3, 0.002901/step Wall: 10290.3, 0.002901/step, 1.16797 hours remaining, 212.093750 MB of memory in use. ENERGY: 3550600 701.7472 2157.6418 1944.2267 107.1440 -206338.1835 17879.6960 0.0000 0.0000 34195.4439 -149352.2839 298.6373 -183547.7278 -149255.9634 299.5679 20.7826 52.2943 558052.9040 11.5644 11.6828 PRESSURE: 3550800 -336.224 79.9015 -24.8245 79.901 175.138 -7.51435 -24.8235 -7.51342 -116.475 GPRESSURE: 3550800 -288.678 112.22 16.0005 74.9359 149.862 10.4432 16.0688 -17.2992 -37.4497 PRESSAVG: 3550800 28.2743 -2.13326 12.141 -2.13339 27.739 -55.85 12.141 -55.8501 -44.1446 GPRESSAVG: 3550800 28.3218 -2.03778 11.7433 -1.50976 26.9959 -55.5653 11.5059 -58.7404 -43.9611 TIMING: 3550800 CPU: 10290.9, 0.00289281/step Wall: 10290.9, 0.00289281/step, 1.16452 hours remaining, 212.093750 MB of memory in use. ENERGY: 3550800 731.4504 2081.9256 1949.5835 113.3747 -206608.8103 17890.2124 0.0000 0.0000 34486.8731 -149355.3905 301.1824 -183842.2637 -149254.5862 299.1329 -92.5203 -58.7553 556045.4261 3.9562 3.7855 PRESSURE: 3551000 -94.3077 -218.278 99.3866 -218.278 102.658 91.6315 99.3873 91.6314 -114.909 GPRESSURE: 3551000 -14.0699 -304.694 41.0798 -171.279 124.665 19.6907 132.405 188.212 -107.978 PRESSAVG: 3551000 -86.6911 -5.13494 41.5138 -5.13495 76.0403 -6.75941 41.5138 -6.75943 -1.95547 GPRESSAVG: 3551000 -86.797 -4.76189 41.175 -7.49215 77.8048 -7.50332 42.3843 -4.2235 -3.00877 TIMING: 3551000 CPU: 10291.5, 0.00286625/step Wall: 10291.5, 0.00286625/step, 1.15367 hours remaining, 212.093750 MB of memory in use. ENERGY: 3551000 754.8729 2085.3702 1942.3864 103.7229 -206126.1307 17763.7500 0.0000 0.0000 34103.0881 -149372.9401 297.8308 -183476.0282 -149267.0552 299.1936 -35.5198 0.8725 557651.9234 -4.2021 -4.0003 PRESSURE: 3551200 -76.9546 174.929 63.3466 174.929 313.381 -41.3233 63.344 -41.3223 -107.029 GPRESSURE: 3551200 2.82404 159.843 0.936862 225.525 243.084 -25.8009 99.8488 -16.022 -15.902 PRESSAVG: 3551200 -17.1867 -87.6109 32.6651 -87.6107 7.91021 52.2643 32.6651 52.2642 -35.6572 GPRESSAVG: 3551200 -16.6382 -87.364 33.1367 -84.4487 7.47821 53.1103 34.8523 50.781 -35.6588 TIMING: 3551200 CPU: 10292, 0.00288294/step Wall: 10292, 0.00288294/step, 1.16022 hours remaining, 212.093750 MB of memory in use. ENERGY: 3551200 756.2279 2089.1886 1941.0967 108.2755 -206277.5310 17817.2370 0.0000 0.0000 34252.4437 -149313.0615 299.1351 -183565.5052 -149211.6775 299.1287 43.1325 76.6686 556349.6013 -14.9779 -14.9396 PRESSURE: 3551400 -159.178 105.039 94.6709 105.039 -130.544 -164.942 94.6706 -164.944 20.0611 GPRESSURE: 3551400 -122.684 127.81 89.6704 72.9167 -78.1172 -213.661 64.1333 -88.553 40.9584 PRESSAVG: 3551400 11.2349 30.9366 3.77695 30.9366 35.3947 -20.8705 3.77695 -20.8707 -41.0018 GPRESSAVG: 3551400 10.6123 30.3965 3.36158 31.1886 35.1703 -21.3942 2.0449 -20.9728 -40.4661 TIMING: 3551400 CPU: 10292.6, 0.00289462/step Wall: 10292.6, 0.00289462/step, 1.16476 hours remaining, 212.093750 MB of memory in use. ENERGY: 3551400 754.1374 2089.3983 1948.2217 110.8246 -206249.6008 17715.8466 0.0000 0.0000 34292.2767 -149338.8956 299.4830 -183631.1722 -149241.8001 299.3283 -89.8872 -53.2810 556731.0707 1.8759 1.7722 PRESSURE: 3551600 -331.413 170.035 98.1074 170.033 -208.743 178.627 98.1069 178.629 38.6829 GPRESSURE: 3551600 -307.745 94.8903 154.222 174.281 -172.011 136.822 -25.1956 182.652 84.0224 PRESSAVG: 3551600 -67.8604 39.1802 38.7708 39.1803 13.1594 -27.6028 38.7707 -27.6028 11.7008 GPRESSAVG: 3551600 -67.424 38.3961 38.3959 38.6003 13.3763 -26.9969 40.9068 -27.8045 10.6977 TIMING: 3551600 CPU: 10293.2, 0.00288069/step Wall: 10293.2, 0.00288069/step, 1.159 hours remaining, 212.093750 MB of memory in use. ENERGY: 3551600 778.8441 2063.3310 1948.8608 99.1908 -205976.4172 17479.8151 0.0000 0.0000 34332.4583 -149273.9171 299.8339 -183606.3755 -149177.3807 299.0079 -167.1576 -131.9114 556153.3080 -14.3334 -14.4500 PRESSURE: 3551800 -11.2728 -104.279 1.62731 -104.28 -250.571 -29.4296 1.62991 -29.4285 -198.351 GPRESSURE: 3551800 -68.3138 -50.629 22.9674 -56.4719 -162.32 -116.921 65.8501 23.1698 -119.882 PRESSAVG: 3551800 -35.2608 19.6284 -4.82995 19.6283 -18.7128 -64.5159 -4.82997 -64.5159 57.0418 GPRESSAVG: 3551800 -35.6774 19.8872 -4.37461 18.4284 -17.675 -66.6838 -5.79778 -63.708 56.4632 TIMING: 3551800 CPU: 10293.8, 0.00288679/step Wall: 10293.8, 0.00288679/step, 1.16129 hours remaining, 212.093750 MB of memory in use. ENERGY: 3551800 735.9453 2042.3078 1951.6590 119.6051 -205827.2132 17591.7687 0.0000 0.0000 34230.8144 -149155.1129 298.9462 -183385.9273 -149052.4156 299.3624 -153.3982 -116.8385 557328.8227 1.0227 1.0369 PRESSURE: 3552000 139.691 -89.9024 -48.2119 -89.9023 -4.97873 -23.9507 -48.2107 -23.9503 194.771 GPRESSURE: 3552000 189.82 -40.3818 -80.7436 -154.576 -22.1708 30.7935 47.2521 -81.0462 261.16 PRESSAVG: 3552000 -8.6006 -22.6272 3.1659 -22.6272 84.9601 -63.3723 3.16581 -63.3723 -69.7649 GPRESSAVG: 3552000 -8.45709 -21.8083 2.44315 -21.0468 84.139 -61.8076 3.02765 -63.575 -69.6958 TIMING: 3552000 CPU: 10294.3, 0.00286456/step Wall: 10294.3, 0.00286456/step, 1.15219 hours remaining, 212.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3552000 771.6906 2063.4067 1985.7916 109.1357 -206111.6149 18060.5796 0.0000 0.0000 34264.6393 -148856.3715 299.2416 -183121.0108 -148769.6283 299.6594 109.8278 142.9363 557264.0565 2.1982 1.9954 PRESSURE: 3552200 -350.953 -54.89 27.7913 -54.8913 124.217 57.5182 27.7924 57.5194 -18.8807 GPRESSURE: 3552200 -245.534 7.2866 105.289 -117.362 108.265 115.608 18.286 19.2939 -12.3667 PRESSAVG: 3552200 -12.6939 3.15522 -14.1687 3.15524 -13.7024 -73.1837 -14.1687 -73.1838 41.0078 GPRESSAVG: 3552200 -12.2812 4.93997 -12.9462 2.55677 -15.4857 -71.8058 -16.2745 -74.8197 42.0055 TIMING: 3552200 CPU: 10294.9, 0.00287211/step Wall: 10294.9, 0.00287211/step, 1.15507 hours remaining, 212.093750 MB of memory in use. ENERGY: 3552200 754.0901 2051.0405 1929.4218 118.7722 -205629.3328 17713.6361 0.0000 0.0000 34261.6145 -148800.7575 299.2152 -183062.3721 -148704.9840 299.9358 -81.8724 -49.8785 559648.8922 4.8705 4.7462 LDB: ============= START OF LOAD BALANCING ============== 10298.3 LDB: ============== END OF LOAD BALANCING =============== 10298.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10298.3 LDB: ============= START OF LOAD BALANCING ============== 10298.6 LDB: Largest compute 4792 load 0.029630 is 25.1% of average load 0.118006 LDB: Average compute 0.001724 is 1.5% of average load 0.118006 LDB: TIME 10298.6 LOAD: AVG 0.118006 MAX 0.177036 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.5 MB LDB: TIME 10298.6 LOAD: AVG 0.118006 MAX 0.177036 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.5 MB LDB: TIME 10298.6 LOAD: AVG 0.118006 MAX 0.177036 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.5 MB LDB: ============== END OF LOAD BALANCING =============== 10298.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10298.6 PRESSURE: 3552400 -126.019 22.4749 -41.2529 22.4758 141.533 -14.1366 -41.2527 -14.1349 -141.287 GPRESSURE: 3552400 -103.014 11.8973 -110.677 77.5922 197.548 -19.4981 -59.2453 51.6741 -117.515 PRESSAVG: 3552400 -37.8807 -65.1554 0.442845 -65.1554 37.5307 -36.0479 0.442848 -36.0479 1.34206 GPRESSAVG: 3552400 -37.0346 -66.5599 1.25374 -64.2438 37.9076 -35.085 1.65083 -33.4782 0.0896902 TIMING: 3552400 CPU: 10295.5, 0.0029224/step Wall: 10295.5, 0.0029224/step, 1.17513 hours remaining, 211.183594 MB of memory in use. ENERGY: 3552400 774.4772 2095.8343 1920.5055 103.9126 -206111.2067 17860.3292 0.0000 0.0000 34524.9020 -148831.2459 301.5146 -183356.1479 -148726.7531 300.1452 -41.9243 -7.6603 557904.6626 0.3307 0.3209 PRESSURE: 3552600 -242.401 42.8511 -133.733 42.8518 199.164 -23.164 -133.735 -23.1635 -221.367 GPRESSURE: 3552600 -154.927 39.324 -29.1803 -70.6545 211.827 -47.5925 -202.023 -40.8698 -237.113 PRESSAVG: 3552600 -30.7446 -59.2164 11.9873 -59.2164 -11.4446 -3.93706 11.9872 -3.93703 -3.12887 GPRESSAVG: 3552600 -32.5715 -60.3812 12.9462 -59.1513 -11.252 -6.18216 11.1882 -4.64571 -1.14206 TIMING: 3552600 CPU: 10296.1, 0.00287924/step Wall: 10296.1, 0.00287924/step, 1.15761 hours remaining, 211.183594 MB of memory in use. ENERGY: 3552600 774.5543 2065.9246 1917.8370 131.3304 -205992.4692 17753.9888 0.0000 0.0000 34360.8472 -148987.9869 300.0818 -183348.8340 -148885.8043 300.0051 -88.2015 -60.0710 558681.7244 -15.1060 -14.9885 PRESSURE: 3552800 115.35 31.0771 187.867 31.0756 -166.221 -29.3554 187.868 -29.3558 -240.092 GPRESSURE: 3552800 132.297 -4.82217 72.9323 115.98 -143.909 18.4576 205.637 8.20815 -184.282 PRESSAVG: 3552800 56.5492 74.95 -24.5759 74.95 -20.5813 16.8603 -24.576 16.8603 -11.9101 GPRESSAVG: 3552800 57.5775 74.3736 -25.2659 75.8124 -20.6726 17.4493 -23.4903 15.583 -12.8146 TIMING: 3552800 CPU: 10296.6, 0.00288966/step Wall: 10296.6, 0.00288966/step, 1.16164 hours remaining, 211.183594 MB of memory in use. ENERGY: 3552800 726.3221 2109.4263 1951.7242 106.0206 -206009.1364 17738.6400 0.0000 0.0000 34238.3217 -149138.6814 299.0118 -183377.0032 -149044.9750 299.2981 -96.9876 -65.2976 559498.7515 8.0193 8.0301 PRESSURE: 3553000 -122.133 163.788 32.1483 163.789 -134.617 15.1504 32.1491 15.1501 -105.649 GPRESSURE: 3553000 -83.4408 80.2406 48.5153 203.065 -104.093 8.17571 54.8989 1.08241 -72.6537 PRESSAVG: 3553000 36.9501 9.44928 -2.76154 9.44916 6.24219 0.252674 -2.76158 0.25261 3.35047 GPRESSAVG: 3553000 36.6615 11.2304 -2.67637 6.74431 6.44531 -1.60254 -2.02136 0.516173 3.80358 TIMING: 3553000 CPU: 10297.2, 0.00285196/step Wall: 10297.2, 0.00285196/step, 1.14633 hours remaining, 211.183594 MB of memory in use. ENERGY: 3553000 732.2621 2095.1878 1973.6404 107.7370 -205979.6315 17654.5541 0.0000 0.0000 34281.7550 -149134.4952 299.3911 -183416.2501 -149035.6280 299.1682 -120.8000 -86.7293 558162.1699 15.5143 15.6368 PRESSURE: 3553200 -236.749 -40.3006 -39.6055 -40.3001 55.779 48.2474 -39.606 48.2482 -69.8397 GPRESSURE: 3553200 -244.184 -92.2468 -123.187 -33.4854 78.4093 51.6125 17.4796 46.1962 15.8328 PRESSAVG: 3553200 42.7875 78.4344 -12.3023 78.4343 2.45818 -16.257 -12.3023 -16.257 -36.6235 GPRESSAVG: 3553200 42.6293 77.5299 -13.7865 78.7455 2.69852 -13.9093 -10.8274 -17.847 -36.4729 TIMING: 3553200 CPU: 10297.8, 0.00288032/step Wall: 10297.8, 0.00288032/step, 1.15757 hours remaining, 211.183594 MB of memory in use. ENERGY: 3553200 744.0885 2052.7247 1934.3133 109.6637 -205865.1840 17601.8332 0.0000 0.0000 34456.6524 -148965.9081 300.9185 -183422.5605 -148864.8389 299.8434 -83.6031 -49.9807 559435.7632 2.8741 2.9517 PRESSURE: 3553400 -81.1095 -65.069 -69.3366 -65.0682 123.047 -113.099 -69.3358 -113.098 10.3313 GPRESSURE: 3553400 -34.9191 -85.4925 -26.5342 -49.6088 141.95 -105.252 -99.8902 -96.6776 48.1654 PRESSAVG: 3553400 1.99956 -31.2336 -0.154002 -31.2336 20.7552 41.7051 -0.153977 41.7052 -3.35633 GPRESSAVG: 3553400 1.78658 -31.3702 -0.453115 -32.333 20.9827 39.8098 -0.582576 45.2488 -3.82279 TIMING: 3553400 CPU: 10298.4, 0.00288519/step Wall: 10298.4, 0.00288519/step, 1.15937 hours remaining, 211.183594 MB of memory in use. ENERGY: 3553400 737.0795 2102.8854 1947.8042 109.3693 -205807.9566 17639.0909 0.0000 0.0000 34420.1524 -148851.5749 300.5998 -183271.7273 -148754.6241 300.2826 17.4231 51.7320 558181.7106 6.4662 6.3155 PRESSURE: 3553600 -242.77 18.1592 30.1539 18.1587 -61.8551 -10.9793 30.1561 -10.9797 -191.802 GPRESSURE: 3553600 -225.726 -1.76706 90.328 49.5825 -53.4065 32.3337 52.4375 -25.1715 -110.752 PRESSAVG: 3553600 -37.292 20.7227 38.2584 20.7228 67.221 18.7582 38.2583 18.7583 -21.1789 GPRESSAVG: 3553600 -36.5546 22.2406 40.3489 21.9672 67.6135 21.0103 35.8744 16.9005 -21.9541 TIMING: 3553600 CPU: 10299, 0.00292234/step Wall: 10299, 0.00292234/step, 1.17413 hours remaining, 211.183594 MB of memory in use. ENERGY: 3553600 711.9699 2092.5831 1933.6625 115.5551 -205962.8668 17553.7829 0.0000 0.0000 34535.9002 -149019.4130 301.6106 -183555.3132 -148925.8922 300.0753 -165.4759 -129.9618 559158.7578 2.9167 3.0349 PRESSURE: 3553800 -78.9392 139.71 -74.8535 139.711 -157.587 70.0891 -74.8539 70.0908 -99.2887 GPRESSURE: 3553800 -76.2694 143.476 7.43938 58.6139 -72.8057 131.039 -109.145 41.4188 -82.8578 PRESSAVG: 3553800 -16.031 -0.953922 -16.4898 -0.954003 8.78837 32.0515 -16.4898 32.0515 -17.9287 GPRESSAVG: 3553800 -17.1869 -2.21183 -18.4841 -1.42356 8.97147 30.8053 -16.6247 31.7789 -17.1758 TIMING: 3553800 CPU: 10299.5, 0.00291267/step Wall: 10299.5, 0.00291267/step, 1.17008 hours remaining, 211.183594 MB of memory in use. ENERGY: 3553800 725.8580 2019.1912 1962.8780 109.5321 -205822.5271 17602.4580 0.0000 0.0000 34311.8111 -149090.7987 299.6536 -183402.6098 -148986.0413 299.6598 -111.9384 -77.3110 557784.6614 -8.3905 -8.4637 PRESSURE: 3554000 -32.9816 25.1212 51.773 25.1223 -394.393 87.4147 51.7727 87.4148 -3.31548 GPRESSURE: 3554000 5.4377 85.306 15.0877 -11.4911 -316.036 75.9572 -30.5452 5.33049 -11.1893 PRESSAVG: 3554000 -44.0474 45.0314 -45.9316 45.0313 44.8322 -2.07801 -45.9316 -2.07802 33.9487 GPRESSAVG: 3554000 -43.9894 45.0941 -45.9468 44.3725 44.0847 -2.47058 -45.6042 -1.83617 34.2481 TIMING: 3554000 CPU: 10300.1, 0.00289715/step Wall: 10300.1, 0.00289715/step, 1.16369 hours remaining, 211.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3554000 746.4403 2065.3413 1953.1406 107.3087 -205449.6665 17391.7818 0.0000 0.0000 34157.8959 -149027.7579 298.3094 -183185.6538 -148931.8513 299.7776 -143.5635 -107.2625 558842.1839 11.5778 11.4478 PRESSURE: 3554200 120.036 -8.19847 133.243 -8.19801 19.9213 -65.6816 133.243 -65.6827 86.2432 GPRESSURE: 3554200 159.205 13.0887 86.3474 35.9266 100.334 -131.605 93.5617 -22.8466 75.0991 PRESSAVG: 3554200 -53.016 33.4974 -71.47 33.4974 -0.516 -58.6234 -71.4701 -58.6234 39.6683 GPRESSAVG: 3554200 -52.5716 32.0644 -70.866 35.0304 -1.34196 -58.424 -69.9218 -58.9571 39.6195 TIMING: 3554200 CPU: 10300.7, 0.00288809/step Wall: 10300.7, 0.00288809/step, 1.15989 hours remaining, 211.183594 MB of memory in use. ENERGY: 3554200 762.7152 2104.8970 1949.9735 114.3103 -206106.6886 17919.4035 0.0000 0.0000 34326.2580 -148929.1311 299.7797 -183255.3891 -148827.4466 300.0195 75.4001 111.5460 555771.7838 -4.6212 -4.7647 PRESSURE: 3554400 -167.159 101.416 8.73828 101.416 63.8722 102.165 8.73708 102.164 84.4773 GPRESSURE: 3554400 -173.952 76.0682 -53.3736 105.2 109.934 72.8881 81.0292 164.393 132.564 PRESSAVG: 3554400 -13.4569 60.1144 -57.4936 60.1144 36.1429 5.21914 -57.4936 5.21911 51.268 GPRESSAVG: 3554400 -12.5559 59.3077 -56.2286 59.8486 36.6934 4.96861 -58.3511 5.51143 49.4158 TIMING: 3554400 CPU: 10301.3, 0.0028668/step Wall: 10301.3, 0.0028668/step, 1.15118 hours remaining, 211.183594 MB of memory in use. ENERGY: 3554400 760.1362 2124.7839 1987.2810 118.2283 -205949.1076 17640.5318 0.0000 0.0000 34235.7326 -149082.4138 298.9892 -183318.1464 -148987.6238 300.3884 -6.2699 22.8486 557039.7230 24.6513 24.5178 PRESSURE: 3554600 81.3436 6.42164 89.3969 6.42267 42.0622 -16.7922 89.3975 -16.7902 -179.58 GPRESSURE: 3554600 133.17 3.43116 168.636 18.0444 33.6897 -7.7889 43.2061 -34.6344 -126.532 PRESSAVG: 3554600 -0.330156 37.2116 -14.8163 37.2115 -1.50495 6.05473 -14.8163 6.05485 16.3391 GPRESSAVG: 3554600 -1.39659 38.117 -16.3046 38.6996 -1.32258 7.77682 -15.1521 5.50319 17.5739 TIMING: 3554600 CPU: 10301.8, 0.0028705/step Wall: 10301.8, 0.0028705/step, 1.15251 hours remaining, 211.183594 MB of memory in use. ENERGY: 3554600 719.7888 2052.4785 1984.1467 106.1529 -205818.5470 17515.6864 0.0000 0.0000 34350.5157 -149089.7779 299.9916 -183440.2936 -148990.6005 300.0899 -18.7247 13.4423 556211.6120 4.8347 4.9516 PRESSURE: 3554800 -180.921 -85.2119 -18.5797 -85.2114 -126.204 157.985 -18.5804 157.986 -53.4431 GPRESSURE: 3554800 -140.199 -56.2902 -65.8554 -130.378 -80.7732 223.066 45.5137 112.27 -35.5732 PRESSAVG: 3554800 3.67381 -57.607 14.5769 -57.6069 80.2702 -1.17142 14.5769 -1.17131 -60.3487 GPRESSAVG: 3554800 3.04769 -55.7102 14.8066 -58.6973 81.7762 -1.48303 13.0213 -2.33334 -61.3642 TIMING: 3554800 CPU: 10302.4, 0.00288431/step Wall: 10302.4, 0.00288431/step, 1.15789 hours remaining, 211.183594 MB of memory in use. ENERGY: 3554800 747.6219 2141.4166 1976.8299 114.9869 -206005.5593 17771.9495 0.0000 0.0000 34136.6321 -149116.1224 298.1237 -183252.7545 -149025.3339 299.8416 -120.1892 -85.5151 559067.2626 7.8651 7.8199 PRESSURE: 3555000 93.2817 30.398 149.487 30.3986 140.29 -73.9435 149.487 -73.9426 -329.313 GPRESSURE: 3555000 113.742 10.292 204.393 64.9981 176.232 -103.607 91.928 -65.9002 -277.056 PRESSAVG: 3555000 -7.98806 20.7495 -2.57155 20.7495 63.9286 -22.2218 -2.57164 -22.2217 -66.0706 GPRESSAVG: 3555000 -7.41976 20.2634 -1.83143 19.4265 62.5587 -21.8347 -2.40468 -21.3216 -65.3305 TIMING: 3555000 CPU: 10303, 0.0028827/step Wall: 10303, 0.0028827/step, 1.15708 hours remaining, 211.183594 MB of memory in use. ENERGY: 3555000 734.5199 2067.6307 1919.6927 108.7844 -206077.4271 17765.0388 0.0000 0.0000 34407.7644 -149073.9961 300.4916 -183481.7606 -148967.8345 299.4379 -31.9135 4.3062 557765.1735 -3.3767 -3.3972 PRESSURE: 3555200 -67.4713 -113.803 25.4932 -113.802 -117.907 -27.0381 25.4944 -27.0378 -91.6597 GPRESSURE: 3555200 -43.812 -40.6562 82.2806 -149.718 -71.2538 -39.7319 -22.0389 -33.2901 -58.294 PRESSAVG: 3555200 -55.0179 3.84165 17.9421 3.84157 67.4177 -38.0016 17.9421 -38.0015 -67.6898 GPRESSAVG: 3555200 -55.3871 4.60933 17.6531 2.74209 67.3267 -39.0053 17.9772 -39.2268 -66.8228 TIMING: 3555200 CPU: 10303.6, 0.00286849/step Wall: 10303.6, 0.00286849/step, 1.15122 hours remaining, 211.183594 MB of memory in use. ENERGY: 3555200 734.7863 2131.9179 1929.4191 125.6338 -206047.2396 17743.7001 0.0000 0.0000 34240.8313 -149140.9510 299.0337 -183381.7823 -149049.0046 299.8034 -92.3461 -57.7866 557413.0904 -18.4300 -18.2944 PRESSURE: 3555400 85.8955 124.35 -204.898 124.348 112.695 -46.9547 -204.897 -46.9543 -150.838 GPRESSURE: 3555400 98.2656 100.465 -162.606 171.307 174.646 -21.541 -230.201 -85.0229 -112.564 PRESSAVG: 3555400 24.2009 -26.805 -37.4299 -26.8051 8.14716 -36.8291 -37.4299 -36.829 -62.3183 GPRESSAVG: 3555400 25.6818 -28.5158 -38.8293 -24.3339 8.58891 -35.9313 -36.7469 -35.8549 -63.795 TIMING: 3555400 CPU: 10304.1, 0.00286957/step Wall: 10304.1, 0.00286957/step, 1.1515 hours remaining, 211.183594 MB of memory in use. ENERGY: 3555400 714.9073 2080.6315 1936.4844 109.3419 -205911.6428 17721.2801 0.0000 0.0000 34062.4192 -149286.5783 297.4756 -183348.9975 -149183.2700 299.2225 15.9175 53.4492 557063.2838 -9.9901 -9.8414 PRESSURE: 3555600 66.9851 47.0741 106.405 47.0741 -102.119 -156.654 106.405 -156.653 38.6768 GPRESSURE: 3555600 104.48 24.0705 92.6459 -14.0743 -66.6124 -88.1214 93.4652 -158.406 73.3294 PRESSAVG: 3555600 35.6571 -20.4793 -4.52308 -20.4793 68.795 22.8594 -4.52305 22.8593 -115.059 GPRESSAVG: 3555600 36.0599 -21.0987 -3.43137 -20.6994 67.196 22.1278 -5.39993 22.7061 -114.445 TIMING: 3555600 CPU: 10304.7, 0.00289555/step Wall: 10304.7, 0.00289555/step, 1.16176 hours remaining, 211.183594 MB of memory in use. ENERGY: 3555600 747.6511 2012.3322 1971.7950 116.2366 -206016.9269 17690.6005 0.0000 0.0000 34354.2771 -149124.0344 300.0244 -183478.3115 -149030.3678 299.3779 1.1811 37.0656 556674.1465 -3.5356 -3.7298 PRESSURE: 3555800 19.7025 198.847 -117.249 198.846 230.427 119.85 -117.248 119.849 -19.6094 GPRESSURE: 3555800 47.3243 123.439 -127.739 221.213 265.656 68.4117 -16.3382 161.797 8.61421 PRESSAVG: 3555800 -25.0315 -56.0963 -38.4566 -56.0963 32.7486 -21.2939 -38.4566 -21.294 -22.8725 GPRESSAVG: 3555800 -25.8359 -55.657 -36.8459 -56.4229 34.5234 -23.001 -37.223 -20.7241 -23.6275 TIMING: 3555800 CPU: 10305.3, 0.0028801/step Wall: 10305.3, 0.0028801/step, 1.1554 hours remaining, 211.183594 MB of memory in use. ENERGY: 3555800 714.7187 2114.1595 1923.3308 112.9661 -206422.9577 17882.3282 0.0000 0.0000 34327.9421 -149347.5124 299.7945 -183675.4545 -149255.5860 299.4133 76.8400 107.1983 555691.8547 -5.0518 -4.9800 PRESSURE: 3556000 -386.566 5.08935 -1.00292 5.08887 -7.88415 127.814 -1.00313 127.815 67.0123 GPRESSURE: 3556000 -392.335 -18.1111 16.3853 24.9959 69.1908 196.421 22.942 63.5164 101.009 PRESSAVG: 3556000 -1.18151 -29.6762 2.66398 -29.6763 8.8874 12.138 2.66399 12.1379 -27.8378 GPRESSAVG: 3556000 -0.154668 -28.1193 0.698166 -29.4246 9.1471 13.2438 2.90331 11.1805 -28.5275 TIMING: 3556000 CPU: 10305.9, 0.00286478/step Wall: 10305.9, 0.00286478/step, 1.14909 hours remaining, 211.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3556000 749.8905 2091.9813 1958.2208 107.4002 -206281.8078 17677.9871 0.0000 0.0000 34476.7543 -149219.5735 301.0941 -183696.3279 -149124.1916 299.8345 -109.1461 -74.0450 557491.9645 -6.7107 -6.5117 PRESSURE: 3556200 -187.499 162.955 -104.267 162.955 89.3385 21.4446 -104.267 21.4455 -3.44377 GPRESSURE: 3556200 -163.728 101.832 -230.017 202.188 114.23 -51.4231 -99.0214 37.6982 46.9353 PRESSAVG: 3556200 -42.7828 -75.3381 -9.74248 -75.3381 28.6554 -16.1448 -9.74254 -16.1447 23.6431 GPRESSAVG: 3556200 -43.4195 -76.7831 -7.10376 -74.5913 28.4321 -16.1647 -11.9545 -14.6754 24.3417 TIMING: 3556200 CPU: 10306.4, 0.00286747/step Wall: 10306.4, 0.00286747/step, 1.15001 hours remaining, 211.183594 MB of memory in use. ENERGY: 3556200 735.6084 2165.3359 1914.4359 118.8539 -206286.4011 17642.1306 0.0000 0.0000 34249.4215 -149460.6149 299.1087 -183710.0364 -149363.5586 298.4735 -33.8680 -0.8541 557059.9043 3.1719 3.1181 LDB: ============= START OF LOAD BALANCING ============== 10309.8 LDB: ============== END OF LOAD BALANCING =============== 10309.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10309.8 LDB: ============= START OF LOAD BALANCING ============== 10310.1 LDB: Largest compute 4792 load 0.029670 is 25.1% of average load 0.117983 LDB: Average compute 0.001727 is 1.5% of average load 0.117983 LDB: TIME 10310.1 LOAD: AVG 0.117983 MAX 0.181521 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.727 MB LDB: TIME 10310.1 LOAD: AVG 0.117983 MAX 0.181521 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.93 MB LDB: TIME 10310.1 LOAD: AVG 0.117983 MAX 0.181521 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10310.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10310.1 PRESSURE: 3556400 5.26863 95.2039 -48.9507 95.2047 -286.495 110.633 -48.9491 110.633 -58.5982 GPRESSURE: 3556400 84.7198 109.711 -179.546 119.003 -316.019 125.943 16.7611 136.353 -14.7544 PRESSAVG: 3556400 10.4672 28.6171 -75.2839 28.6171 -44.1898 6.6339 -75.284 6.63392 14.5346 GPRESSAVG: 3556400 11.2797 27.5481 -76.5473 28.4315 -44.876 8.38496 -74.4429 3.72607 14.3269 TIMING: 3556400 CPU: 10307, 0.00295175/step Wall: 10307, 0.00295175/step, 1.18365 hours remaining, 210.539062 MB of memory in use. ENERGY: 3556400 780.0259 2123.8294 1958.3189 90.8467 -206457.6550 17920.2107 0.0000 0.0000 34208.7675 -149375.6559 298.7537 -183584.4234 -149278.2142 298.7469 -113.2747 -82.0177 559039.8880 -6.3960 -6.4231 PRESSURE: 3556600 9.79109 178.136 -234.549 178.135 97.3917 184.186 -234.548 184.187 286.453 GPRESSURE: 3556600 23.37 134.286 -200.078 238.71 135.926 113.69 -196.15 175.081 320.69 PRESSAVG: 3556600 27.077 25.0161 9.83869 25.0161 9.31406 9.78246 9.83881 9.78237 -50.6227 GPRESSAVG: 3556600 25.9355 27.5587 10.5026 23.4817 9.19291 9.26418 10.0229 10.1717 -50.3134 TIMING: 3556600 CPU: 10307.6, 0.00289304/step Wall: 10307.6, 0.00289304/step, 1.15995 hours remaining, 210.539062 MB of memory in use. ENERGY: 3556600 744.4634 2094.1710 1947.4454 113.1825 -206166.8785 17830.1184 0.0000 0.0000 34255.3202 -149182.1775 299.1602 -183437.4977 -149092.4102 298.9306 131.2121 159.9953 556762.3490 -4.7439 -5.0616 PRESSURE: 3556800 15.7115 68.0775 -33.1003 68.0768 -114.906 -40.1688 -33.0999 -40.1688 299.591 GPRESSURE: 3556800 93.1932 17.9507 -84.6194 88.992 -86.349 -5.8483 -7.76523 6.12066 282.745 PRESSAVG: 3556800 -38.5003 -4.04013 -3.1602 -4.04017 -36.7534 54.487 -3.16023 54.4869 93.7651 GPRESSAVG: 3556800 -38.3582 -5.02802 -4.54387 -3.41281 -36.6276 54.3577 -2.61757 55.4287 93.3002 TIMING: 3556800 CPU: 10308.2, 0.00288868/step Wall: 10308.2, 0.00288868/step, 1.15804 hours remaining, 210.539062 MB of memory in use. ENERGY: 3556800 748.6822 2131.8707 1966.1313 111.1362 -206570.1882 17853.1474 0.0000 0.0000 34579.7147 -149179.5057 301.9932 -183759.2204 -149087.5769 299.1009 66.7990 96.5296 555916.4500 6.1705 6.1048 PRESSURE: 3557000 -107.964 24.9094 -8.18687 24.9095 -16.7527 -56.145 -8.18723 -56.1446 -79.7582 GPRESSURE: 3557000 -63.5531 87.8691 -51.4644 50.9767 32.3278 -133.126 -9.51253 -24.5715 -75.0365 PRESSAVG: 3557000 -13.7808 26.2398 -26.344 26.2399 19.6846 59.551 -26.3441 59.5511 35.8313 GPRESSAVG: 3557000 -14.2369 27.1887 -27.1297 26.093 19.8366 59.3998 -24.9724 59.2114 35.8447 TIMING: 3557000 CPU: 10308.8, 0.00289785/step Wall: 10308.8, 0.00289785/step, 1.16155 hours remaining, 210.539062 MB of memory in use. ENERGY: 3557000 768.5520 2081.4343 1968.7425 119.9429 -206464.5036 17782.0618 0.0000 0.0000 34734.7005 -149009.0696 303.3468 -183743.7701 -148912.7990 300.7750 -68.1582 -35.4206 557245.3111 13.9117 13.8148 PRESSURE: 3557200 -101.601 -15.7931 -108.672 -15.7921 -146.334 113.376 -108.672 113.377 -130.278 GPRESSURE: 3557200 -35.0293 56.0408 -190.37 44.6873 -162.033 139.626 -26.3961 182.638 -77.7892 PRESSAVG: 3557200 -29.7344 15.6809 14.1682 15.6809 13.9115 18.1291 14.1681 18.1291 -25.6087 GPRESSAVG: 3557200 -29.1242 15.4047 14.5774 15.7369 14.4855 18.6041 12.539 20.0557 -26.6956 TIMING: 3557200 CPU: 10309.3, 0.00288095/step Wall: 10309.3, 0.00288095/step, 1.15462 hours remaining, 210.539062 MB of memory in use. ENERGY: 3557200 768.3442 2078.4993 1925.6229 126.8038 -206074.6338 17714.1318 0.0000 0.0000 34316.2252 -149145.0065 299.6921 -183461.2317 -149043.6975 299.8628 -126.0712 -91.6170 558155.0610 -13.8105 -13.7781 PRESSURE: 3557400 -582.138 90.8084 52.0533 90.8077 -82.1753 -101.354 52.0522 -101.353 -218.008 GPRESSURE: 3557400 -544.172 113.796 46.1826 157.922 -93.8213 -191.368 -9.57594 -70.6569 -145.927 PRESSAVG: 3557400 -18.9708 -18.4065 25.1882 -18.4066 33.4234 32.5067 25.1882 32.5067 -7.38083 GPRESSAVG: 3557400 -20.0451 -17.6861 24.8315 -18.8434 32.5688 32.2588 22.9681 30.7548 -5.22061 TIMING: 3557400 CPU: 10309.9, 0.00288267/step Wall: 10309.9, 0.00288267/step, 1.15515 hours remaining, 210.539062 MB of memory in use. ENERGY: 3557400 804.8435 2135.7398 1962.5835 107.0258 -206164.4842 17627.9555 0.0000 0.0000 34170.2869 -149356.0493 298.4176 -183526.3362 -149257.1917 300.3690 -294.1073 -261.3067 558272.8258 2.3572 2.4344 PRESSURE: 3557600 16.4716 111.193 -84.8116 111.192 108.311 -24.795 -84.8114 -24.7963 -68.4219 GPRESSURE: 3557600 -3.95785 90.9312 -173.953 99.7718 228.912 8.48098 -53.9937 4.49466 -68.4441 PRESSAVG: 3557600 49.7784 10.5394 -60.059 10.5394 -12.5475 5.34987 -60.059 5.34997 -43.2575 GPRESSAVG: 3557600 49.9846 7.55221 -59.9624 12.4732 -12.393 7.03653 -58.9057 5.15915 -44.2153 TIMING: 3557600 CPU: 10310.5, 0.00287376/step Wall: 10310.5, 0.00287376/step, 1.15142 hours remaining, 210.539062 MB of memory in use. ENERGY: 3557600 778.9726 2049.6294 1941.1514 119.8596 -206444.2018 17898.9749 0.0000 0.0000 34185.1638 -149470.4501 298.5475 -183655.6139 -149375.9633 299.6941 18.7868 52.1702 556425.8940 -2.0089 -2.2079 PRESSURE: 3557800 185.043 -70.0696 62.1716 -70.0686 40.0327 -199.828 62.1705 -199.827 -205.837 GPRESSURE: 3557800 175.591 -33.9596 -10.5565 -64.9427 53.9261 -202.903 58.3758 -91.6738 -119.899 PRESSAVG: 3557800 -36.1507 -17.7284 8.01144 -17.7285 0.905037 15.0168 8.01134 15.0169 -5.68529 GPRESSAVG: 3557800 -37.0459 -16.6136 6.67042 -19.9857 1.40739 14.1315 8.64054 15.9961 -5.65062 TIMING: 3557800 CPU: 10311.1, 0.0028775/step Wall: 10311.1, 0.0028775/step, 1.15276 hours remaining, 210.539062 MB of memory in use. ENERGY: 3557800 756.6141 2045.8945 1963.3211 108.5027 -206444.0349 17826.1609 0.0000 0.0000 34217.3572 -149526.1843 298.8287 -183743.5416 -149427.5079 299.2401 6.4128 36.5393 555918.1176 -13.6436 -13.7630 PRESSURE: 3558000 -81.7344 -187.701 -79.5739 -187.701 -153.399 251.089 -79.574 251.088 -11.0338 GPRESSURE: 3558000 5.29154 -155.747 -123.033 -201.836 -115.391 178.156 -50.0632 201.13 -23.8119 PRESSAVG: 3558000 56.8461 -6.5014 -15.8971 -6.50137 -8.06256 52.128 -15.8972 52.1279 -40.4449 GPRESSAVG: 3558000 58.8278 -6.35765 -15.6061 -5.99745 -9.20561 50.8332 -15.4153 50.8626 -41.3257 TIMING: 3558000 CPU: 10311.6, 0.00286764/step Wall: 10311.6, 0.00286764/step, 1.14865 hours remaining, 210.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3558000 744.2877 2156.2945 1942.8156 111.6785 -206670.2865 17838.4815 0.0000 0.0000 34134.9463 -149741.7825 298.1090 -183876.7288 -149646.0854 298.1256 -82.0556 -44.6370 555451.2093 2.7795 2.7655 PRESSURE: 3558200 -241.907 182.783 170.086 182.784 -254.959 89.4319 170.087 89.4314 -262.024 GPRESSURE: 3558200 -178.99 254.191 197.496 189.441 -217.91 126.401 265.476 59.5734 -259.987 PRESSAVG: 3558200 56.1638 -9.12362 37.0588 -9.12351 -2.07042 -10.1721 37.0589 -10.172 -56.0624 GPRESSAVG: 3558200 54.7663 -8.2367 38.1741 -9.65737 0.020914 -9.21642 36.3521 -9.2538 -56.828 TIMING: 3558200 CPU: 10312.2, 0.00287869/step Wall: 10312.2, 0.00287869/step, 1.15291 hours remaining, 210.539062 MB of memory in use. ENERGY: 3558200 780.2620 2092.9566 1960.3491 114.0985 -206257.4304 17441.3121 0.0000 0.0000 34282.7662 -149585.6860 299.3999 -183868.4521 -149487.1357 298.8336 -252.9632 -218.9622 557433.9242 -0.6564 -0.6803 PRESSURE: 3558400 80.0473 107.475 93.8207 107.477 -230.151 210.644 93.8216 210.643 -268.563 GPRESSURE: 3558400 83.7159 186.472 163.021 -16.323 -188.214 128.943 22.2187 188.923 -215.613 PRESSAVG: 3558400 8.99114 46.8063 -1.54334 46.8063 35.1671 47.728 -1.54335 47.728 -29.6018 GPRESSAVG: 3558400 8.28728 46.4184 -1.74017 45.3366 35.2927 46.3742 -3.67097 48.0853 -29.3754 TIMING: 3558400 CPU: 10312.8, 0.00288645/step Wall: 10312.8, 0.00288645/step, 1.15586 hours remaining, 210.539062 MB of memory in use. ENERGY: 3558400 730.4993 2107.9860 1947.8897 114.0274 -206107.8266 17496.4317 0.0000 0.0000 34318.4850 -149392.5075 299.7119 -183710.9925 -149298.0778 299.1167 -139.5556 -106.7036 556999.9816 4.8521 4.7349 PRESSURE: 3558600 189.934 -6.26751 -150.054 -6.26745 276.636 -147.155 -150.053 -147.156 268.372 GPRESSURE: 3558600 235.1 -50.8786 -105.309 -10.6343 255.547 -78.7886 -152.066 -182.296 338.23 PRESSAVG: 3558600 -16.0253 -2.2851 -11.6584 -2.28515 58.0132 -64.7078 -11.6585 -64.7079 -33.1328 GPRESSAVG: 3558600 -14.4667 -2.78698 -11.6586 -0.483377 56.1098 -64.1414 -10.1227 -64.8559 -32.6792 TIMING: 3558600 CPU: 10313.4, 0.00288906/step Wall: 10313.4, 0.00288906/step, 1.15675 hours remaining, 210.539062 MB of memory in use. ENERGY: 3558600 733.1609 2173.0879 1937.2019 115.3294 -206615.4667 17913.3203 0.0000 0.0000 34228.4327 -149514.9335 298.9254 -183743.3663 -149419.6201 299.1706 244.9808 276.2923 555636.3496 2.9517 2.9880 PRESSURE: 3558800 -60.4924 -46.9146 76.2407 -46.9151 216.844 8.54274 76.2413 8.54231 26.3771 GPRESSURE: 3558800 4.47602 15.8694 90.9003 -32.4979 227.928 -63.1965 71.9483 -16.8719 53.2721 PRESSAVG: 3558800 -39.3986 6.32441 -5.92829 6.32441 -19.9979 -8.20266 -5.92826 -8.20273 11.8622 GPRESSAVG: 3558800 -38.6493 5.88415 -5.25114 8.11429 -20.5646 -8.82253 -6.39998 -7.84966 11.564 TIMING: 3558800 CPU: 10314, 0.00290611/step Wall: 10314, 0.00290611/step, 1.16341 hours remaining, 210.539062 MB of memory in use. ENERGY: 3558800 769.5856 2164.7024 1950.4815 99.7731 -206780.2483 17988.2994 0.0000 0.0000 34163.3417 -149644.0647 298.3570 -183807.4064 -149545.8330 298.2202 60.9094 95.2255 555395.1177 -15.8448 -15.8833 PRESSURE: 3559000 -26.6381 -34.1347 -57.8696 -34.1359 -164.936 47.4922 -57.8703 47.4931 -31.0373 GPRESSURE: 3559000 25.0697 6.56376 -3.3722 -97.9847 -134.687 31.9882 -13.2287 98.3479 -7.88751 PRESSAVG: 3559000 -24.6299 21.5454 -6.50519 21.5454 -17.0479 42.0901 -6.50532 42.0901 31.8905 GPRESSAVG: 3559000 -25.556 20.813 -8.05554 19.7429 -15.7573 42.7816 -7.116 43.6932 31.8082 TIMING: 3559000 CPU: 10314.5, 0.00291393/step Wall: 10314.5, 0.00291393/step, 1.16638 hours remaining, 210.539062 MB of memory in use. ENERGY: 3559000 767.0633 2133.5127 1939.7344 119.6397 -206449.7381 17769.5492 0.0000 0.0000 34185.5875 -149534.6513 298.5512 -183720.2388 -149437.9532 298.5054 -74.2038 -39.1681 557780.0251 -3.2624 -3.1684 PRESSURE: 3559200 -391.327 142.016 155.114 142.016 -226.304 -43.3674 155.115 -43.3682 129.482 GPRESSURE: 3559200 -343.741 152.785 201.42 35.9508 -207.439 -17.9417 117.267 -14.8733 158.326 PRESSAVG: 3559200 -59.3041 33.299 17.6231 33.299 54.2997 -55.4282 17.6231 -55.4281 26.1592 GPRESSAVG: 3559200 -58.4356 34.1735 18.5912 33.5563 53.1193 -57.0286 18.6085 -57.3638 26.982 TIMING: 3559200 CPU: 10315.1, 0.00289608/step Wall: 10315.1, 0.00289608/step, 1.15907 hours remaining, 210.539062 MB of memory in use. ENERGY: 3559200 732.4433 2174.8929 1954.1241 118.4368 -206094.1701 17647.5522 0.0000 0.0000 34101.9257 -149364.7950 297.8206 -183466.7207 -149270.8147 298.4019 -162.7164 -130.9512 557588.9403 7.0516 7.2219 PRESSURE: 3559400 368.007 -66.612 -121.684 -66.6132 245.38 -39.9223 -121.686 -39.923 -19.799 GPRESSURE: 3559400 439.016 -136.837 -68.1436 -10.9911 241.367 -2.29389 -140.557 -55.4333 15.7816 PRESSAVG: 3559400 -23.1251 6.72953 84.4402 6.72954 -23.417 -9.69862 84.4403 -9.69864 2.53295 GPRESSAVG: 3559400 -22.3263 8.19072 83.781 5.42927 -22.9193 -7.13618 82.3789 -10.3151 0.734136 TIMING: 3559400 CPU: 10315.7, 0.00291363/step Wall: 10315.7, 0.00291363/step, 1.16594 hours remaining, 210.539062 MB of memory in use. ENERGY: 3559400 736.8080 2101.7357 1963.0271 113.0152 -206617.5032 18112.2839 0.0000 0.0000 34213.1633 -149377.4698 298.7921 -183590.6332 -149273.3487 298.6731 197.8624 232.0548 556004.0879 -14.6697 -14.8371 PRESSURE: 3559600 -27.9994 11.3553 28.854 11.3566 -69.956 54.1573 28.8546 54.1586 41.3722 GPRESSURE: 3559600 23.698 108.526 79.8361 -18.6679 -26.1716 39.6486 -38.6525 81.8797 45.5568 PRESSAVG: 3559600 19.9417 -46.6676 -13.8568 -46.6676 -4.7345 29.2014 -13.8568 29.2015 -38.1879 GPRESSAVG: 3559600 17.9773 -49.2116 -14.9238 -43.7016 -5.08018 27.3761 -11.0465 29.5927 -36.1424 TIMING: 3559600 CPU: 10316.3, 0.00289651/step Wall: 10316.3, 0.00289651/step, 1.15893 hours remaining, 210.539062 MB of memory in use. ENERGY: 3559600 726.6071 2158.7422 1996.4150 121.1969 -206224.7593 17667.6552 0.0000 0.0000 34127.0855 -149427.0574 298.0403 -183554.1429 -149332.8645 299.6439 -18.8611 14.3611 555979.7246 -7.6602 -7.7484 PRESSURE: 3559800 -272.979 -95.6062 159.611 -95.6056 -63.9713 -129.441 159.611 -129.441 -91.3409 GPRESSURE: 3559800 -268.759 -63.4797 125.309 -125.834 -21.5026 -107.773 142.636 -134.99 -50.3716 PRESSAVG: 3559800 3.04291 -26.1747 19.2168 -26.1747 8.94448 35.1185 19.2168 35.1185 -48.953 GPRESSAVG: 3559800 3.78541 -25.5371 18.9558 -27.9597 9.07443 36.4296 19.4045 37.2628 -49.7685 TIMING: 3559800 CPU: 10316.9, 0.00289682/step Wall: 10316.9, 0.00289682/step, 1.15889 hours remaining, 210.539062 MB of memory in use. ENERGY: 3559800 756.2032 2099.5245 1950.7396 119.8911 -205869.1379 17563.6169 0.0000 0.0000 34027.9432 -149351.2193 297.1745 -183379.1625 -149251.7665 299.8405 -142.7638 -113.5445 557419.6543 -12.3219 -12.3029 PRESSURE: 3560000 -14.1999 12.8811 104.486 12.8801 -55.3083 -35.0315 104.486 -35.0306 143.545 GPRESSURE: 3560000 3.83643 63.2409 108.095 -7.58376 30.6335 18.591 120.775 -16.4717 133.943 PRESSAVG: 3560000 19.49 3.41796 41.7608 3.41798 3.68051 6.50722 41.7607 6.50719 18.0197 GPRESSAVG: 3560000 18.7714 1.19155 42.3182 4.65585 3.90976 7.23096 42.6195 3.32781 18.4975 TIMING: 3560000 CPU: 10317.4, 0.00288853/step Wall: 10317.4, 0.00288853/step, 1.15541 hours remaining, 210.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3560000 745.9621 2102.8318 1971.1562 114.6744 -206658.0219 17850.2336 0.0000 0.0000 34509.3658 -149363.7980 301.3789 -183873.1638 -149276.3123 298.1831 24.6789 56.1376 556362.9170 13.7301 13.7262 PRESSURE: 3560200 109.995 -189.538 -68.4272 -189.539 -109.405 -63.1756 -68.4277 -63.1733 203.727 GPRESSURE: 3560200 159.24 -155.866 -50.9213 -207.878 -59.7867 -101.104 -187.832 -26.6919 201.479 PRESSAVG: 3560200 28.2092 -30.9676 4.81196 -30.9677 -12.7297 18.8734 4.81202 18.8734 -12.3235 GPRESSAVG: 3560200 29.0151 -27.1721 4.64995 -34.5262 -12.7089 16.7217 4.06769 22.0686 -13.2067 TIMING: 3560200 CPU: 10318, 0.0028901/step Wall: 10318, 0.0028901/step, 1.15588 hours remaining, 210.539062 MB of memory in use. ENERGY: 3560200 729.1439 2110.6888 1952.4107 106.7319 -206565.2971 17909.4722 0.0000 0.0000 34324.1007 -149432.7490 299.7609 -183756.8496 -149339.0719 299.2078 68.1056 100.3105 555942.3534 1.0520 1.0332 LDB: ============= START OF LOAD BALANCING ============== 10321.4 LDB: ============== END OF LOAD BALANCING =============== 10321.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10321.4 LDB: ============= START OF LOAD BALANCING ============== 10321.7 LDB: Largest compute 4792 load 0.031325 is 26.5% of average load 0.118035 LDB: Average compute 0.001732 is 1.5% of average load 0.118035 LDB: TIME 10321.7 LOAD: AVG 0.118035 MAX 0.182102 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 10321.7 LOAD: AVG 0.118035 MAX 0.182102 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.633 MB LDB: TIME 10321.7 LOAD: AVG 0.118035 MAX 0.182102 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.633 MB LDB: ============== END OF LOAD BALANCING =============== 10321.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10321.7 PRESSURE: 3560400 198.993 143.094 66.7474 143.094 161.184 38.2607 66.7469 38.2605 111.763 GPRESSURE: 3560400 191.967 148.019 77.592 107.053 184.428 23.3953 8.67192 60.6863 199.401 PRESSAVG: 3560400 -0.738362 9.61968 -17.6614 9.61956 2.63502 -2.21852 -17.6614 -2.21844 -51.4557 GPRESSAVG: 3560400 -1.6592 7.51754 -17.6663 11.0778 3.14099 -1.96553 -19.9419 -4.46481 -51.0016 TIMING: 3560400 CPU: 10318.6, 0.00296429/step Wall: 10318.6, 0.00296429/step, 1.18539 hours remaining, 210.265625 MB of memory in use. ENERGY: 3560400 765.6456 2095.2815 1971.1692 121.4704 -206314.4948 17863.6968 0.0000 0.0000 34200.0917 -149297.1396 298.6779 -183497.2313 -149197.4136 299.4108 157.3132 191.9318 556963.9712 -16.5197 -16.5066 PRESSURE: 3560600 -113.05 40.4092 -121.838 40.4106 49.6734 115.123 -121.839 115.123 -393.048 GPRESSURE: 3560600 -82.9445 -11.0167 -90.9955 62.1935 71.3702 109.403 -114.69 141.681 -362.209 PRESSAVG: 3560600 46.0419 -6.89507 7.2148 -6.89509 51.2709 39.4488 7.21485 39.4488 -51.0014 GPRESSAVG: 3560600 47.3561 -6.81889 5.58807 -4.92167 49.6729 39.9897 10.6215 40.3269 -50.8153 TIMING: 3560600 CPU: 10319.2, 0.00291543/step Wall: 10319.2, 0.00291543/step, 1.16569 hours remaining, 210.410156 MB of memory in use. ENERGY: 3560600 761.5977 2051.6145 1969.1483 118.3092 -206316.1723 17791.6415 0.0000 0.0000 34241.2274 -149382.6338 299.0372 -183623.8611 -149279.6596 298.6904 -152.1414 -124.5943 557722.7402 15.4371 15.4046 PRESSURE: 3560800 -118.654 -159.664 122.06 -159.663 -256.633 -76.7604 122.061 -76.761 -218.485 GPRESSURE: 3560800 -92.6934 -200.162 192.859 -204.847 -199.803 -29.2453 122.613 -62.4846 -202.363 PRESSAVG: 3560800 32.8694 -59.4644 -25.4736 -59.4644 7.66767 12.3838 -25.4735 12.3837 -7.11846 GPRESSAVG: 3560800 32.7087 -59.1906 -23.9154 -60.4919 7.98509 12.3223 -27.9913 9.90177 -7.00925 TIMING: 3560800 CPU: 10319.8, 0.00289333/step Wall: 10319.8, 0.00289333/step, 1.15669 hours remaining, 210.410156 MB of memory in use. ENERGY: 3560800 790.9335 2045.7436 1968.4468 109.2429 -206517.1657 17921.6514 0.0000 0.0000 34361.4654 -149319.6820 300.0872 -183681.1474 -149220.0115 299.2632 -197.9241 -164.9532 558248.9239 11.1396 11.2282 PRESSURE: 3561000 -147.333 -20.9733 -109.688 -20.9728 -190.982 44.7782 -109.687 44.7796 -267.26 GPRESSURE: 3561000 -86.3083 -120.94 -172.229 44.7036 -185.225 45.6491 -71.4338 16.6259 -229.223 PRESSAVG: 3561000 -35.0494 -25.5314 -18.2965 -25.5315 15.8154 32.1433 -18.2965 32.1433 2.26448 GPRESSAVG: 3561000 -34.0229 -24.8085 -17.4367 -25.5159 15.4076 32.6764 -18.6815 34.1158 1.22007 TIMING: 3561000 CPU: 10320.4, 0.00291233/step Wall: 10320.4, 0.00291233/step, 1.16412 hours remaining, 210.410156 MB of memory in use. ENERGY: 3561000 744.3773 2090.0147 1952.0167 112.8749 -206048.0579 17631.9789 0.0000 0.0000 34507.3453 -149009.4501 301.3612 -183516.7953 -148903.8145 299.9610 -201.8582 -166.9190 557598.9068 -5.6565 -5.7984 PRESSURE: 3561200 -160.408 63.1186 71.2457 63.1188 -25.2345 -146.3 71.2453 -146.299 -325.267 GPRESSURE: 3561200 -121.97 54.649 24.6264 0.018685 -33.9223 -117.392 169.362 -112.299 -264.698 PRESSAVG: 3561200 5.46043 -13.185 -4.78285 -13.185 -13.398 30.1337 -4.78283 30.1338 7.33863 GPRESSAVG: 3561200 5.18066 -12.5937 -5.94561 -12.4762 -12.3952 27.5845 -3.18415 30.6281 7.01485 TIMING: 3561200 CPU: 10320.9, 0.00288223/step Wall: 10320.9, 0.00288223/step, 1.15193 hours remaining, 210.410156 MB of memory in use. ENERGY: 3561200 770.5898 2091.6509 1950.8718 118.6290 -205849.4302 17460.0107 0.0000 0.0000 34383.2838 -149074.3941 300.2778 -183457.6779 -148979.4477 300.1065 -170.3032 -140.1970 557259.8820 -0.1996 -0.0666 PRESSURE: 3561400 201.249 -72.2352 -65.0585 -72.2353 -124.576 -46.8939 -65.0572 -46.8918 -33.6785 GPRESSURE: 3561400 252.712 -3.50479 21.4645 -45.7257 -70.6635 -132.097 -150.722 -10.9906 -39.6521 PRESSAVG: 3561400 -2.62918 7.98599 5.33448 7.98597 -8.7916 -1.90951 5.33448 -1.90958 9.10574 GPRESSAVG: 3561400 -1.81892 7.95089 5.23108 6.93195 -10.1384 -1.9347 5.18967 -2.61082 9.91931 TIMING: 3561400 CPU: 10321.5, 0.00288938/step Wall: 10321.5, 0.00288938/step, 1.15463 hours remaining, 210.410156 MB of memory in use. ENERGY: 3561400 731.4190 2101.5044 1953.8841 124.8052 -206284.8969 17889.4843 0.0000 0.0000 34304.7830 -149179.0170 299.5922 -183483.8000 -149078.4977 299.8051 14.3316 47.4655 557340.2448 -0.7717 -0.6793 PRESSURE: 3561600 -233.072 30.2175 50.1598 30.2171 -252.542 38.8084 50.1612 38.8084 -91.3564 GPRESSURE: 3561600 -221.212 -25.7618 29.0051 7.727 -195.378 23.3871 -26.9437 3.73965 -71.581 PRESSAVG: 3561600 7.29981 10.9071 -52.2206 10.9071 28.1267 20.6374 -52.2206 20.6373 -29.873 GPRESSAVG: 3561600 6.76941 9.86541 -51.9716 11.1746 28.1976 20.2529 -53.0094 22.0635 -29.6871 TIMING: 3561600 CPU: 10322.1, 0.00287834/step Wall: 10322.1, 0.00287834/step, 1.15006 hours remaining, 210.410156 MB of memory in use. ENERGY: 3561600 764.9226 2134.9534 1964.0891 113.5357 -205482.2259 17441.2238 0.0000 0.0000 34009.7899 -149053.7115 297.0160 -183063.5014 -148961.8548 299.0154 -192.3235 -162.7237 556971.0283 1.8512 1.7599 PRESSURE: 3561800 -87.9613 12.2387 87.6696 12.2379 61.9168 238.963 87.6704 238.962 214.559 GPRESSURE: 3561800 -14.8026 11.4071 16.1565 6.96653 78.7798 129.348 170.895 300.14 236.579 PRESSAVG: 3561800 -6.1886 -3.28661 10.4158 -3.28659 43.9467 33.1139 10.4157 33.1139 30.4652 GPRESSAVG: 3561800 -5.99399 -0.754796 12.04 -5.26673 44.6439 35.2211 9.72044 32.4207 29.4979 TIMING: 3561800 CPU: 10322.7, 0.00289473/step Wall: 10322.7, 0.00289473/step, 1.15644 hours remaining, 210.410156 MB of memory in use. ENERGY: 3561800 793.2040 2109.9594 1959.4679 125.9028 -206548.4377 17997.3061 0.0000 0.0000 34569.2960 -148993.3015 301.9023 -183562.5975 -148893.9967 299.9455 62.8383 100.1853 555471.4982 22.7411 22.7159 PRESSURE: 3562000 -39.4489 -98.8589 -1.37793 -98.8582 80.8854 -30.2604 -1.3776 -30.2614 -56.6107 GPRESSURE: 3562000 40.238 -177.362 12.4989 -28.6115 64.4857 -47.1972 -29.7253 -32.942 -20.945 PRESSAVG: 3562000 -96.6656 -39.3065 12.1788 -39.3064 51.7384 -10.3231 12.1788 -10.3231 31.0147 GPRESSAVG: 3562000 -96.8775 -40.6219 13.493 -38.5467 51.985 -11.5709 11.0228 -11.3462 31.7846 TIMING: 3562000 CPU: 10323.2, 0.00287247/step Wall: 10323.2, 0.00287247/step, 1.14739 hours remaining, 210.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3562000 748.1461 2175.2822 1937.8762 114.0268 -205987.2815 17666.7798 0.0000 0.0000 34342.5661 -149002.6042 299.9222 -183345.1703 -148908.5179 300.4626 -5.0581 27.9262 557617.4312 -4.6375 -4.3693 PRESSURE: 3562200 219.935 -169.267 146.586 -169.267 139.365 25.0417 146.585 25.041 -274.748 GPRESSURE: 3562200 252.566 -182.875 197.263 -83.771 169.579 15.5594 138.452 57.3627 -242.919 PRESSAVG: 3562200 21.7793 -48.3823 29.9827 -48.3823 -38.7861 34.6039 29.9827 34.6039 34.0858 GPRESSAVG: 3562200 20.8179 -48.3802 27.2349 -46.5164 -37.8143 33.7032 32.2803 37.3933 34.098 TIMING: 3562200 CPU: 10323.8, 0.00288387/step Wall: 10323.8, 0.00288387/step, 1.15178 hours remaining, 210.410156 MB of memory in use. ENERGY: 3562200 716.7754 2116.8432 1965.7360 108.7151 -206143.2070 17744.3946 0.0000 0.0000 34485.4699 -149005.2729 301.1702 -183490.7428 -148904.7909 299.7592 28.1836 59.7418 557886.8805 5.6930 5.7005 PRESSURE: 3562400 -104.051 96.1628 140.824 96.1621 -283.698 110.431 140.824 110.43 107.679 GPRESSURE: 3562400 -60.0267 158.4 197.056 171.511 -231.864 111.136 15.6229 84.172 109.314 PRESSAVG: 3562400 43.2683 -32.4371 7.64679 -32.4371 -14.9614 -20.9229 7.64675 -20.923 -63.404 GPRESSAVG: 3562400 43.3395 -30.2816 8.40986 -33.4773 -15.4221 -17.4232 8.3758 -23.2404 -63.5245 TIMING: 3562400 CPU: 10324.4, 0.00289202/step Wall: 10324.4, 0.00289202/step, 1.15488 hours remaining, 210.410156 MB of memory in use. ENERGY: 3562400 752.8563 2096.0419 1970.3449 119.1136 -206282.8330 17798.7209 0.0000 0.0000 34351.5285 -149194.2268 300.0004 -183545.7553 -149108.1320 300.1217 -93.3567 -60.8591 557954.3503 -11.6990 -11.8690 PRESSURE: 3562600 -196.126 97.5068 120.026 97.5065 -272.442 50.4431 120.024 50.444 -524.023 GPRESSURE: 3562600 -217.665 47.0992 117.452 82.6763 -235.621 36.7187 100.24 68.5362 -437.832 PRESSAVG: 3562600 -26.3862 -29.1431 25.6177 -29.1431 6.15262 17.8435 25.6177 17.8435 13.1457 GPRESSAVG: 3562600 -26.6275 -35.0998 23.6822 -27.609 6.08345 14.3178 24.7585 18.1894 13.6721 TIMING: 3562600 CPU: 10325, 0.00285838/step Wall: 10325, 0.00285838/step, 1.14129 hours remaining, 210.410156 MB of memory in use. ENERGY: 3562600 777.9141 2126.7954 1950.3613 111.3276 -205963.8110 17487.4119 0.0000 0.0000 34622.6472 -148887.3534 302.3682 -183510.0007 -148791.4956 300.3800 -330.8637 -297.0392 558478.7463 -2.3626 -2.2907 PRESSURE: 3562800 -240.835 9.20817 34.1823 9.20818 -384.515 -96.5875 34.182 -96.587 -98.6306 GPRESSURE: 3562800 -208.404 18.1676 -20.4413 36.4876 -348.03 -71.7721 67.8182 50.0064 -71.0391 PRESSAVG: 3562800 -29.3428 -64.5041 -4.6937 -64.5042 24.7177 13.5118 -4.6937 13.512 17.6076 GPRESSAVG: 3562800 -28.4418 -59.9707 -6.5911 -66.5521 24.0513 16.3064 -4.43014 13.0389 17.146 TIMING: 3562800 CPU: 10325.5, 0.00287804/step Wall: 10325.5, 0.00287804/step, 1.14898 hours remaining, 210.410156 MB of memory in use. ENERGY: 3562800 761.0141 2132.2303 1951.3431 114.9376 -205771.4986 17480.5182 0.0000 0.0000 34455.2967 -148876.1586 300.9067 -183331.4553 -148780.0234 300.9835 -241.3270 -209.1577 558338.5788 4.3275 4.2518 PRESSURE: 3563000 39.633 -121.393 -12.9018 -121.392 -2.8789 -47.5242 -12.9014 -47.5237 67.6168 GPRESSURE: 3563000 52.6921 -9.15652 43.2591 -154.724 24.4085 39.7475 -65.8579 -10.1149 144.165 PRESSAVG: 3563000 18.5642 17.4209 47.9002 17.421 -25.2376 27.1947 47.9002 27.1947 40.8007 GPRESSAVG: 3563000 18.857 15.5629 52.5558 18.3123 -24.3957 25.8362 47.8044 27.9632 40.399 TIMING: 3563000 CPU: 10326.1, 0.00287158/step Wall: 10326.1, 0.00287158/step, 1.14624 hours remaining, 210.410156 MB of memory in use. ENERGY: 3563000 802.5103 2081.2053 1963.6821 116.7105 -205901.1985 17785.5086 0.0000 0.0000 34161.3662 -148990.2156 298.3397 -183151.5818 -148897.2590 299.9659 34.7903 73.7552 557768.9927 11.3758 11.6201 PRESSURE: 3563200 -301.291 126.722 82.3138 126.722 -122.798 101.65 82.3127 101.652 -7.14862 GPRESSURE: 3563200 -290.577 151.479 48.168 142.812 -56.3735 17.3465 108.054 203.63 34.7122 PRESSAVG: 3563200 15.2465 -44.6905 -27.1037 -44.6904 3.85528 9.94926 -27.1036 9.94912 -13.2121 GPRESSAVG: 3563200 14.0362 -44.5712 -27.4155 -45.1911 4.12736 11.1111 -28.9207 8.5799 -12.6007 TIMING: 3563200 CPU: 10326.7, 0.00287246/step Wall: 10326.7, 0.00287246/step, 1.14643 hours remaining, 210.410156 MB of memory in use. ENERGY: 3563200 770.2264 2079.1089 1971.7666 126.6422 -205876.0109 17721.4985 0.0000 0.0000 34249.9384 -148956.8299 299.1132 -183206.7683 -148855.4610 299.6968 -143.7459 -104.0795 557412.2461 1.9632 1.8543 PRESSURE: 3563400 3.87074 158.118 -53.1454 158.118 -37.9958 5.91749 -53.1456 5.91867 239.833 GPRESSURE: 3563400 40.0895 121.977 -85.2518 264.494 16.2434 -12.1046 -34.7353 -53.2517 256.002 PRESSAVG: 3563400 -23.7794 3.10388 17.3758 3.1038 -24.0962 58.4031 17.3757 58.4032 70.5509 GPRESSAVG: 3563400 -23.2622 3.99855 16.4418 5.45985 -25.2709 56.7543 18.3857 58.936 71.2633 TIMING: 3563400 CPU: 10327.3, 0.00285612/step Wall: 10327.3, 0.00285612/step, 1.13975 hours remaining, 210.410156 MB of memory in use. ENERGY: 3563400 782.3684 2111.5486 1948.8839 112.0142 -206394.3143 18034.3918 0.0000 0.0000 34483.1930 -148921.9145 301.1503 -183405.1074 -148824.4074 300.1326 68.5692 104.1115 558260.1751 7.5585 7.5767 PRESSURE: 3563600 -485.067 149.582 2.46458 149.581 -57.749 93.2546 2.46507 93.2557 -360.253 GPRESSURE: 3563600 -373.57 119.356 14.6255 171.679 -101.082 190.713 33.5042 106.822 -334.797 PRESSAVG: 3563600 -88.3789 65.8286 -19.8147 65.8287 42.1483 38.5442 -19.8147 38.5441 24.6467 GPRESSAVG: 3563600 -89.1252 64.314 -19.5531 65.5759 42.8031 39.7676 -20.1187 37.9285 25.0164 TIMING: 3563600 CPU: 10327.8, 0.00290328/step Wall: 10327.8, 0.00290328/step, 1.15841 hours remaining, 210.410156 MB of memory in use. ENERGY: 3563600 740.9490 2119.1303 1935.3801 107.2857 -205370.7109 17274.1661 0.0000 0.0000 34250.0007 -148943.7990 299.1138 -183193.7998 -148844.6842 300.4394 -301.0230 -269.8161 559054.9418 -7.1946 -7.1019 PRESSURE: 3563800 -139.928 72.9415 -40.7244 72.9402 -137.461 -98.879 -40.7232 -98.88 -114.44 GPRESSURE: 3563800 -150.956 64.6994 -75.2352 146.75 -65.6245 -101.736 -71.0866 -62.9013 -84.8825 PRESSAVG: 3563800 -62.4935 0.695307 -1.86821 0.695333 26.1645 -16.7801 -1.86825 -16.78 36.3863 GPRESSAVG: 3563800 -62.0174 2.95084 -5.36363 -0.236883 26.4474 -17.2147 -1.42592 -16.6035 35.3056 TIMING: 3563800 CPU: 10328.4, 0.00291317/step Wall: 10328.4, 0.00291317/step, 1.16219 hours remaining, 210.410156 MB of memory in use. ENERGY: 3563800 781.1615 2107.8087 1955.8849 104.6281 -205623.5854 17470.6238 0.0000 0.0000 34184.1035 -149019.3751 298.5383 -183203.4786 -148922.2472 300.1574 -130.6096 -100.4875 559321.1723 0.0191 -0.0881 PRESSURE: 3564000 37.9699 84.5916 70.9115 84.5913 155.47 -2.86017 70.9122 -2.8626 -9.38551 GPRESSURE: 3564000 84.7217 -24.6945 76.7145 164.896 178.07 71.4487 58.1089 24.615 10.6683 PRESSAVG: 3564000 -96.4166 10.4354 -16.1835 10.4355 8.13832 14.2541 -16.1835 14.2541 44.9045 GPRESSAVG: 3564000 -96.7562 10.0023 -13.0444 8.83843 6.56273 13.9885 -17.0553 13.7813 46.9948 TIMING: 3564000 CPU: 10329, 0.0028916/step Wall: 10329, 0.0028916/step, 1.15343 hours remaining, 210.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3564000 760.6656 2073.7687 1940.8710 116.2266 -206230.0953 17963.4769 0.0000 0.0000 34114.4786 -149260.6079 297.9302 -183375.0864 -149166.2414 298.7725 61.3513 91.1535 558467.6771 -14.4579 -14.3995 PRESSURE: 3564200 -177.236 2.93681 98.3473 2.93693 -192.162 148.698 98.3468 148.699 -117.849 GPRESSURE: 3564200 -160.156 -63.2867 125.737 41.9833 -130.159 71.1663 147.101 214.286 -83.473 PRESSAVG: 3564200 -33.5267 32.3404 31.8225 32.3404 27.0015 10.7801 31.8225 10.78 47.5304 GPRESSAVG: 3564200 -34.2183 33.6959 29.7829 33.3868 28.4809 11.4647 32.3558 13.603 47.022 TIMING: 3564200 CPU: 10329.6, 0.00287486/step Wall: 10329.6, 0.00287486/step, 1.14659 hours remaining, 210.410156 MB of memory in use. ENERGY: 3564200 783.5359 2116.7767 1929.6899 117.5941 -206224.4816 17711.6962 0.0000 0.0000 34239.8358 -149325.3530 299.0250 -183565.1888 -149229.8122 298.5399 -162.4156 -124.5958 557404.2044 13.6684 13.7615 LDB: ============= START OF LOAD BALANCING ============== 10333 LDB: ============== END OF LOAD BALANCING =============== 10333 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10333 LDB: ============= START OF LOAD BALANCING ============== 10333.2 LDB: Largest compute 4792 load 0.030605 is 25.9% of average load 0.117980 LDB: Average compute 0.001734 is 1.5% of average load 0.117980 LDB: TIME 10333.3 LOAD: AVG 0.11798 MAX 0.178228 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.43 MB LDB: TIME 10333.3 LOAD: AVG 0.11798 MAX 0.178228 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: TIME 10333.3 LOAD: AVG 0.11798 MAX 0.178228 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10333.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10333.3 PRESSURE: 3564400 373.402 -87.3239 -33.1596 -87.324 168.207 -51.4227 -33.1592 -51.4228 170.138 GPRESSURE: 3564400 392.665 -102.405 -72.4939 -91.5645 241.995 -72.489 34.1594 22.8404 176.296 PRESSAVG: 3564400 12.8648 50.7662 23.6343 50.7662 -52.98 -17.3896 23.6345 -17.3897 43.7407 GPRESSAVG: 3564400 13.4319 48.4165 24.9936 50.464 -53.2946 -17.9543 22.9743 -18.3708 43.7186 TIMING: 3564400 CPU: 10330.2, 0.00292094/step Wall: 10330.2, 0.00292094/step, 1.1648 hours remaining, 211.042969 MB of memory in use. ENERGY: 3564400 745.4959 2136.4679 1948.4299 111.7901 -206807.8988 18281.8832 0.0000 0.0000 34182.8167 -149401.0151 298.5270 -183583.8319 -149297.1821 298.4130 237.2487 270.3187 557501.6199 1.2085 1.2853 PRESSURE: 3564600 126.058 -14.309 132.851 -14.3088 202.966 63.1987 132.852 63.1988 84.336 GPRESSURE: 3564600 161.985 -38.9766 128.115 36.8338 200.456 49.8901 277.985 58.213 147.968 PRESSAVG: 3564600 -17.9385 -69.1762 38.2508 -69.1763 -0.322428 -57.4495 38.2508 -57.4495 2.45917 GPRESSAVG: 3564600 -17.5771 -68.8758 38.1737 -69.7118 -1.29446 -57.8849 37.3217 -58.9179 3.20133 TIMING: 3564600 CPU: 10330.7, 0.00289511/step Wall: 10330.7, 0.00289511/step, 1.15435 hours remaining, 211.042969 MB of memory in use. ENERGY: 3564600 766.1096 2133.1438 1930.7373 123.6192 -206530.6767 17945.7735 0.0000 0.0000 34335.1720 -149296.1213 299.8576 -183631.2933 -149201.8520 298.7572 137.7867 170.1364 558841.3473 -5.2672 -5.2234 PRESSURE: 3564800 -72.0657 -14.3167 113.754 -14.3167 95.6399 88.9901 113.753 88.9907 -66.8984 GPRESSURE: 3564800 -63.1824 -27.6289 162.685 -24.3013 99.7538 30.9454 174.2 71.4297 13.2483 PRESSAVG: 3564800 6.78397 59.5479 67.4699 59.5479 26.5122 -27.7692 67.4699 -27.7692 -11.7877 GPRESSAVG: 3564800 6.32116 60.779 66.1895 59.3412 26.6861 -27.45 70.1884 -26.8185 -11.6152 TIMING: 3564800 CPU: 10331.3, 0.00288674/step Wall: 10331.3, 0.00288674/step, 1.15085 hours remaining, 211.246094 MB of memory in use. ENERGY: 3564800 783.1202 2103.5465 1922.3888 125.7267 -206139.7043 17724.1005 0.0000 0.0000 34146.3115 -149334.5101 298.2082 -183480.8216 -149237.7263 299.8047 -14.4414 16.6066 557376.9297 7.1695 7.1307 PRESSURE: 3565000 -85.0936 270.094 -200.039 270.094 -4.8996 -11.256 -200.04 -11.2559 105.701 GPRESSURE: 3565000 0.742995 301.869 -113.002 251.512 -52.805 135.663 -248.09 -121.409 177.649 PRESSAVG: 3565000 -38.4774 41.2274 56.5492 41.2275 51.9184 -4.92783 56.5493 -4.92762 -14.719 GPRESSAVG: 3565000 -38.5396 40.1402 57.0555 42.0381 52.0458 -5.26832 55.6914 -5.19608 -14.5134 TIMING: 3565000 CPU: 10331.9, 0.00288224/step Wall: 10331.9, 0.00288224/step, 1.14889 hours remaining, 211.246094 MB of memory in use. ENERGY: 3565000 716.4108 2115.9584 1928.1223 115.1804 -206101.2800 17774.0601 0.0000 0.0000 34093.1617 -149358.3863 297.7441 -183451.5480 -149258.0085 298.4043 5.2359 41.8623 557141.6668 -0.4260 -0.3357 PRESSURE: 3565200 350.416 -8.3723 11.9764 -8.37249 -20.3682 110.834 11.9757 110.835 31.5654 GPRESSURE: 3565200 406.61 -35.8624 -4.59166 33.5015 -17.7504 94.3512 81.5113 132.845 86.2324 PRESSAVG: 3565200 14.2765 77.6633 86.5687 77.6634 -8.04145 64.2144 86.5686 64.2143 15.2459 GPRESSAVG: 3565200 14.4785 77.4187 86.3386 77.4455 -7.034 61.6573 86.2954 65.7468 14.3355 TIMING: 3565200 CPU: 10332.5, 0.00289309/step Wall: 10332.5, 0.00289309/step, 1.15306 hours remaining, 211.503906 MB of memory in use. ENERGY: 3565200 736.4618 2130.9552 1955.2580 107.7053 -206506.8695 18008.6888 0.0000 0.0000 34227.4245 -149340.3758 298.9166 -183567.8003 -149243.3060 298.6323 120.5377 158.3639 556121.1729 7.1603 7.2600 PRESSURE: 3565400 -100.167 143.584 -104.8 143.583 150.019 170.307 -104.798 170.306 -168.039 GPRESSURE: 3565400 -49.6856 136.272 -13.322 52.9795 167.717 150.301 -111.62 161.751 -141.158 PRESSAVG: 3565400 25.2031 -26.5933 19.5589 -26.5935 15.9545 43.3979 19.5589 43.398 -69.2291 GPRESSAVG: 3565400 23.602 -25.8051 19.621 -26.3188 16.3526 46.079 19.3921 43.4322 -68.0965 TIMING: 3565400 CPU: 10333.1, 0.00288989/step Wall: 10333.1, 0.00288989/step, 1.15162 hours remaining, 211.503906 MB of memory in use. ENERGY: 3565400 739.2852 2083.6295 1950.7212 115.2557 -206365.2227 17785.7894 0.0000 0.0000 34414.1197 -149276.4220 300.5471 -183690.5417 -149186.9823 298.4929 -39.3955 -7.7090 557151.9687 -9.3572 -9.3806 PRESSURE: 3565600 -267.551 -60.7834 69.6536 -60.7819 60.5633 206.327 69.6545 206.327 -118.966 GPRESSURE: 3565600 -197.027 18.4372 66.1832 -25.3896 81.3168 192.241 -14.2429 112.362 -98.6052 PRESSAVG: 3565600 53.0244 18.8821 -35.0116 18.8822 -2.23437 -7.61461 -35.0117 -7.61466 -23.1673 GPRESSAVG: 3565600 55.1474 19.3948 -37.516 17.8275 -2.67685 -7.93645 -33.9999 -8.76055 -24.3259 TIMING: 3565600 CPU: 10333.6, 0.00288247/step Wall: 10333.6, 0.00288247/step, 1.1485 hours remaining, 211.503906 MB of memory in use. ENERGY: 3565600 733.5239 2115.9276 1960.6425 107.3567 -205944.7526 17577.9111 0.0000 0.0000 34091.1537 -149358.2370 297.7265 -183449.3908 -149255.3792 298.8448 -108.6512 -71.4383 557800.6073 9.2076 9.3816 PRESSURE: 3565800 -35.1486 12.8998 -43.9926 12.9003 23.3198 52.1283 -43.9924 52.1279 -115.689 GPRESSURE: 3565800 1.98051 21.8272 -58.1007 39.4798 30.0529 86.512 47.9075 -1.30207 -68.7991 PRESSAVG: 3565800 39.9513 24.135 1.5993 24.1351 -25.0415 -5.1098 1.59941 -5.10984 -8.64383 GPRESSAVG: 3565800 39.386 23.3935 3.88862 23.5925 -25.1749 -5.176 0.638715 -3.72483 -8.23025 TIMING: 3565800 CPU: 10334.2, 0.00287597/step Wall: 10334.2, 0.00287597/step, 1.14575 hours remaining, 211.503906 MB of memory in use. ENERGY: 3565800 723.7015 2073.7656 1952.8122 103.3054 -206064.1927 17543.7362 0.0000 0.0000 34120.8269 -149546.0448 297.9857 -183666.8718 -149449.9468 298.2763 -42.5059 -12.2552 556678.0619 2.0886 1.9936 PRESSURE: 3566000 24.5382 -206.624 146.149 -206.625 37.1166 -81.2681 146.148 -81.2667 -2.64827 GPRESSURE: 3566000 62.0572 -191.374 78.6321 -159.571 62.9263 -115.462 250.658 5.93836 31.5325 PRESSAVG: 3566000 41.6629 8.80124 -59.6744 8.80124 41.7838 -34.7469 -59.6744 -34.7467 -28.8627 GPRESSAVG: 3566000 41.7855 7.86317 -59.9249 9.33688 41.1814 -35.2894 -61.1324 -36.2081 -28.3934 TIMING: 3566000 CPU: 10334.8, 0.0028744/step Wall: 10334.8, 0.0028744/step, 1.14497 hours remaining, 211.503906 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: 3566000 750.3714 2113.5438 1933.7355 105.1474 -206806.8198 18095.0349 0.0000 0.0000 34155.1692 -149653.8176 298.2856 -183808.9868 -149566.6132 297.6774 19.6688 52.1720 557851.0988 18.1947 18.1912 PRESSURE: 3566200 -286.867 287.97 -87.1006 287.971 -202.15 95.3393 -87.1 95.3407 -133.745 GPRESSURE: 3566200 -220.677 301.5 -25.4409 275.742 -191.047 95.3429 -143.187 109.989 -129.808 PRESSAVG: 3566200 7.9209 -1.10606 -34.6843 -1.10604 -63.7498 -17.4811 -34.6843 -17.4812 47.0182 GPRESSAVG: 3566200 7.78327 -0.119721 -32.7335 -0.995862 -63.9015 -17.8906 -34.7464 -15.8571 47.7871 TIMING: 3566200 CPU: 10335.4, 0.00288212/step Wall: 10335.4, 0.00288212/step, 1.14788 hours remaining, 211.503906 MB of memory in use. ENERGY: 3566200 755.7465 2093.7565 1951.8593 112.0910 -206297.3694 17614.1190 0.0000 0.0000 34057.3009 -149712.4962 297.4309 -183769.7972 -149611.7942 297.6504 -207.5870 -180.5109 558159.0534 -2.9369 -2.7770 PRESSURE: 3566400 -197.216 82.5678 -65.0725 82.5694 -214.35 15.5098 -65.073 15.5086 -244.507 GPRESSURE: 3566400 -162.783 -5.26677 -49.9258 63.6233 -142.368 -45.4904 -116.047 15.4672 -250.26 PRESSAVG: 3566400 60.7028 38.0333 0.282475 38.0333 -51.9668 -31.9378 0.282492 -31.9378 10.0982 GPRESSAVG: 3566400 61.4846 37.7037 -1.64546 38.5128 -50.9633 -32.2258 -0.0848902 -32.2479 8.14064 TIMING: 3566400 CPU: 10335.9, 0.00288334/step Wall: 10335.9, 0.00288334/step, 1.14821 hours remaining, 211.503906 MB of memory in use. ENERGY: 3566400 759.6552 2147.1614 1953.5054 119.1538 -206564.8321 17798.8156 0.0000 0.0000 34135.4770 -149651.0637 298.1136 -183786.5407 -149554.6859 298.2568 -218.6907 -185.1373 559600.4186 6.2780 6.2207 PRESSURE: 3566600 -62.8635 -124.68 -95.6531 -124.679 53.8445 51.8329 -95.6513 51.8328 -313.216 GPRESSURE: 3566600 -5.43352 -33.7402 -170.033 -176.219 69.2733 15.3655 11.8336 27.6007 -287.78 PRESSAVG: 3566600 0.773835 37.2291 -44.1843 37.2292 31.7418 -24.6658 -44.1844 -24.6658 -37.8203 GPRESSAVG: 3566600 0.835337 36.5723 -43.2182 37.8934 31.2808 -24.5512 -44.3123 -25.5704 -37.077 TIMING: 3566600 CPU: 10336.5, 0.00289176/step Wall: 10336.5, 0.00289176/step, 1.1514 hours remaining, 211.503906 MB of memory in use. ENERGY: 3566600 720.7257 2125.2941 1948.7110 115.1975 -206398.6290 17717.9008 0.0000 0.0000 34009.0597 -149761.7403 297.0096 -183770.8000 -149670.1379 297.4519 -107.4118 -74.6468 558144.5516 -1.7682 -1.6536 PRESSURE: 3566800 -3.13833 78.7248 137.097 78.7257 -172.13 -4.29681 137.098 -4.29634 120.886 GPRESSURE: 3566800 -9.99813 32.7159 97.46 118.982 -123.615 -93.9063 179.552 49.898 166.365 PRESSAVG: 3566800 11.8084 9.94894 -16.9692 9.94895 43.4314 -30.5043 -16.9692 -30.5043 5.9432 GPRESSAVG: 3566800 11.3237 8.67218 -18.4084 10.8796 44.1955 -31.6081 -16.4358 -29.0259 5.57785 TIMING: 3566800 CPU: 10337.1, 0.00290511/step Wall: 10337.1, 0.00290511/step, 1.15656 hours remaining, 211.503906 MB of memory in use. ENERGY: 3566800 734.2979 2063.2980 1933.3118 108.3565 -206623.0737 17936.9191 0.0000 0.0000 34085.8678 -149761.0227 297.6804 -183846.8905 -149671.9428 297.1088 -18.1274 10.9175 557517.5133 20.3943 20.3657 PRESSURE: 3567000 69.3102 63.2117 -52.4412 63.211 -348.049 -5.34561 -52.4419 -5.34489 155.524 GPRESSURE: 3567000 103.115 63.5917 31.1978 67.4035 -294.607 -9.57329 -109.311 -45.8194 169.97 PRESSAVG: 3567000 66.5022 -46.5182 -2.35055 -46.5182 -74.0859 -52.7862 -2.35064 -52.7862 30.3786 GPRESSAVG: 3567000 67.313 -46.1119 -1.37235 -44.9286 -74.6363 -51.3644 -2.71675 -54.22 30.8252 TIMING: 3567000 CPU: 10337.7, 0.00290585/step Wall: 10337.7, 0.00290585/step, 1.15669 hours remaining, 211.515625 MB of memory in use. ENERGY: 3567000 758.9583 2087.4179 1971.0799 120.3793 -207029.5061 17946.4659 0.0000 0.0000 34227.9609 -149917.2438 298.9213 -184145.2048 -149825.3290 297.4188 -41.0716 -7.1742 557424.6960 7.5983 7.8340 PRESSURE: 3567200 82.7779 32.3508 -162.561 32.3508 -419.03 -66.6428 -162.562 -66.6437 -76.9341 GPRESSURE: 3567200 56.6997 10.592 -182.895 -17.4604 -345.503 -48.5431 -141.501 -14.0595 -33.9704 PRESSAVG: 3567200 68.3184 14.3096 7.61794 14.3096 -81.1724 -14.6287 7.61785 -14.6287 16.5817 GPRESSAVG: 3567200 67.4009 15.2866 7.56854 11.3193 -80.5637 -14.4736 7.67072 -13.8058 16.857 TIMING: 3567200 CPU: 10338.3, 0.0029056/step Wall: 10338.3, 0.0029056/step, 1.15643 hours remaining, 211.515625 MB of memory in use. ENERGY: 3567200 735.8675 2149.2044 1956.9287 109.0670 -206417.3546 17702.8148 0.0000 0.0000 33914.7912 -149848.6809 296.1863 -183763.4721 -149756.3825 297.6425 -137.7287 -107.5911 557727.1841 1.2426 1.2314 PRESSURE: 3567400 -49.5368 73.3778 119.793 73.3786 27.8891 -32.8118 119.793 -32.8107 -78.7535 GPRESSURE: 3567400 -23.75 120.184 115.436 65.2882 54.1997 2.2375 152.108 -84.3386 -29.516 PRESSAVG: 3567400 -28.4481 9.9983 -26.0113 9.99832 -28.0894 5.96634 -26.0113 5.96641 70.1362 GPRESSAVG: 3567400 -28.1998 12.7879 -25.666 8.8554 -27.8194 5.83955 -25.7479 6.97963 69.5783 TIMING: 3567400 CPU: 10338.8, 0.0028941/step Wall: 10338.8, 0.0028941/step, 1.15169 hours remaining, 211.515625 MB of memory in use. ENERGY: 3567400 756.7048 2095.3602 1971.5089 122.1967 -206782.1758 17930.9665 0.0000 0.0000 34059.4549 -149845.9837 297.4497 -183905.4386 -149750.4702 297.8979 -33.4671 0.3113 556150.3643 4.5329 4.5197 PRESSURE: 3567600 72.5051 56.1784 -34.7788 56.1777 57.9477 37.7661 -34.7787 37.7651 -23.545 GPRESSURE: 3567600 71.186 82.6403 -20.5077 52.8494 65.3906 93.806 -55.2773 -3.91331 56.9189 PRESSAVG: 3567600 -27.9438 -31.7949 -10.7693 -31.7949 31.8954 -37.7218 -10.7693 -37.7218 3.16548 GPRESSAVG: 3567600 -27.9288 -34.2855 -10.7725 -30.9073 30.5644 -36.1091 -10.681 -41.0708 4.09439 TIMING: 3567600 CPU: 10339.4, 0.00288263/step Wall: 10339.4, 0.00288264/step, 1.14697 hours remaining, 211.515625 MB of memory in use. ENERGY: 3567600 729.3536 2102.3772 1945.9187 107.6767 -206683.0085 17900.5492 0.0000 0.0000 34142.5626 -149754.5706 298.1755 -183897.1333 -149654.6553 297.3259 35.6359 64.4985 556976.0896 2.3724 2.2433 PRESSURE: 3567800 150.553 -76.0179 -26.5068 -76.0179 132.081 50.347 -26.5063 50.3464 -206.198 GPRESSURE: 3567800 156.177 -121.835 -136.254 -14.3374 141.365 136.178 -19.3027 31.6555 -128.579 PRESSAVG: 3567800 24.649 -22.9932 -5.17632 -22.9932 8.9792 -39.8887 -5.17634 -39.8887 -22.8171 GPRESSAVG: 3567800 24.6354 -22.6059 -5.31307 -22.3573 8.55024 -39.8786 -6.84995 -38.747 -23.0166 TIMING: 3567800 CPU: 10340, 0.00286902/step Wall: 10340, 0.00286902/step, 1.14139 hours remaining, 211.515625 MB of memory in use. ENERGY: 3567800 743.7094 2091.9048 1956.4394 107.8081 -206156.6656 17751.8250 0.0000 0.0000 33916.2261 -149588.7528 296.1988 -183504.9790 -149491.0749 297.4625 25.4790 56.3208 556557.2846 3.6037 3.3897 PRESSURE: 3568000 180.727 1.53645 98.789 1.53638 142.788 -106.388 98.7895 -106.39 -227.191 GPRESSURE: 3568000 225.93 -15.759 117.261 64.554 152.984 -195.385 -26.2488 -100.139 -178.303 PRESSAVG: 3568000 -39.4352 19.687 -6.79406 19.687 25.0814 -41.9167 -6.79405 -41.9168 2.43995 GPRESSAVG: 3568000 -40.6159 19.9378 -7.1897 18.7684 25.0368 -42.734 -4.54881 -41.9584 4.19959 TIMING: 3568000 CPU: 10340.6, 0.00287515/step Wall: 10340.6, 0.00287515/step, 1.14367 hours remaining, 211.515625 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: 3568000 781.7579 2130.9114 1922.1884 122.0650 -206340.0590 17919.5438 0.0000 0.0000 34047.5974 -149415.9951 297.3461 -183463.5925 -149324.8923 298.0554 32.1083 66.8706 557088.5793 -3.9713 -3.7931 PRESSURE: 3568200 -221.067 -103.469 194.682 -103.469 112.364 -19.6429 194.683 -19.6432 -47.7092 GPRESSURE: 3568200 -165.778 -131.015 185.031 -39.3192 139.436 -29.6312 223.214 -99.1117 -14.2792 PRESSAVG: 3568200 -107.747 -15.4887 29.0188 -15.4888 70.1595 0.30334 29.0187 0.303526 79.3608 GPRESSAVG: 3568200 -107.046 -17.3247 27.9967 -12.5779 71.6974 1.44593 29.7118 0.159346 77.2871 TIMING: 3568200 CPU: 10341.1, 0.00286712/step Wall: 10341.1, 0.00286712/step, 1.14032 hours remaining, 211.515625 MB of memory in use. ENERGY: 3568200 757.6044 2095.8959 1945.1806 120.8391 -206336.3909 17824.9154 0.0000 0.0000 34172.4247 -149419.5308 298.4363 -183591.9555 -149319.4904 298.4436 -52.1372 -13.5404 557005.4598 13.9243 13.9795 LDB: ============= START OF LOAD BALANCING ============== 10344.5 LDB: ============== END OF LOAD BALANCING =============== 10344.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10344.5 LDB: ============= START OF LOAD BALANCING ============== 10344.8 LDB: Largest compute 4792 load 0.029585 is 25.1% of average load 0.118059 LDB: Average compute 0.001728 is 1.5% of average load 0.118059 LDB: TIME 10344.8 LOAD: AVG 0.118059 MAX 0.180409 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.898 MB LDB: TIME 10344.8 LOAD: AVG 0.118059 MAX 0.180409 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.898 MB LDB: TIME 10344.8 LOAD: AVG 0.118059 MAX 0.180409 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.898 MB LDB: ============== END OF LOAD BALANCING =============== 10344.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10344.8 PRESSURE: 3568400 139.052 -23.3715 111.234 -23.3717 56.8086 -77.4817 111.234 -77.4808 -19.9786 GPRESSURE: 3568400 114.739 -43.8646 87.3867 12.9678 133.813 -125.306 146.111 -42.3286 22.5291 PRESSAVG: 3568400 -43.2929 25.3631 95.9758 25.3631 28.7588 -20.3397 95.9758 -20.3397 25.7707 GPRESSAVG: 3568400 -41.9408 25.6662 97.6399 25.3058 27.7377 -20.8331 94.6688 -21.0626 26.0033 TIMING: 3568400 CPU: 10341.7, 0.00293992/step Wall: 10341.7, 0.00293992/step, 1.16911 hours remaining, 209.839844 MB of memory in use. ENERGY: 3568400 699.2975 2105.6834 1911.0325 102.2249 -206420.1409 17919.4725 0.0000 0.0000 34298.5199 -149383.9102 299.5375 -183682.4301 -149290.8298 298.6327 58.6274 90.3605 557574.5001 3.7455 3.9334 PRESSURE: 3568600 4.57527 157.011 88.5629 157.011 -355.837 -77.8745 88.5623 -77.8773 -255.174 GPRESSURE: 3568600 33.0534 172.044 177.949 143.453 -347.016 -127.436 18.0484 -66.1576 -193.286 PRESSAVG: 3568600 16.5502 -7.56712 15.2348 -7.56715 -48.7663 30.2082 15.2349 30.2081 11.4966 GPRESSAVG: 3568600 15.4302 -6.96856 13.6335 -9.45406 -48.0384 30.2636 14.4205 31.3147 12.2278 TIMING: 3568600 CPU: 10342.3, 0.00289462/step Wall: 10342.3, 0.00289462/step, 1.15093 hours remaining, 210.042969 MB of memory in use. ENERGY: 3568600 769.6761 2107.8416 1950.2382 118.0689 -205797.3106 17460.9132 0.0000 0.0000 34058.0967 -149332.4760 297.4378 -183390.5727 -149236.2940 298.4486 -202.1451 -169.0830 557654.6486 -6.9065 -6.7935 PRESSURE: 3568800 7.13915 -63.0337 -4.74489 -63.0335 -2.80339 97.3981 -4.74392 97.3997 -87.898 GPRESSURE: 3568800 67.7265 -74.8808 71.5748 -26.5728 -79.2224 213.135 3.61618 76.9921 17.7094 PRESSAVG: 3568800 36.294 -27.5951 4.53841 -27.5951 -26.4792 -5.72281 4.5385 -5.72276 -6.03867 GPRESSAVG: 3568800 37.494 -28.597 6.60414 -25.6478 -27.8817 -6.93505 4.83856 -6.55641 -5.95115 TIMING: 3568800 CPU: 10342.9, 0.00289249/step Wall: 10342.9, 0.00289249/step, 1.14993 hours remaining, 210.042969 MB of memory in use. ENERGY: 3568800 777.0587 2131.1003 1925.4978 110.3958 -206272.3048 17820.3024 0.0000 0.0000 34092.0671 -149415.8827 297.7345 -183507.9499 -149317.7966 299.1964 -27.8541 2.0712 558346.2898 1.2587 1.2204 PRESSURE: 3569000 -70.3626 -142.07 -163.162 -142.07 -170.416 -6.65467 -163.161 -6.65496 196.249 GPRESSURE: 3569000 -68.5747 -99.7874 -163.822 -160.718 -128.929 -26.1749 -82.5462 90.1723 235.113 PRESSAVG: 3569000 -6.53555 49.5886 9.29554 49.5885 28.9604 16.7859 9.29544 16.7859 5.82178 GPRESSAVG: 3569000 -6.31742 49.7849 10.1975 45.3489 29.2537 17.2409 9.39177 18.3328 5.76941 TIMING: 3569000 CPU: 10343.5, 0.00289786/step Wall: 10343.5, 0.00289786/step, 1.1519 hours remaining, 210.042969 MB of memory in use. ENERGY: 3569000 709.0797 2127.9469 1920.9039 116.7170 -206201.8286 17689.5480 0.0000 0.0000 34152.0802 -149485.5528 298.2586 -183637.6331 -149385.4250 298.4619 -14.8434 12.5363 556454.8830 9.4155 9.5686 PRESSURE: 3569200 194.665 -61.7058 -57.7873 -61.7054 117.242 116.311 -57.7872 116.312 18.9421 GPRESSURE: 3569200 202.56 4.14063 36.2318 -84.183 137.267 154.242 -83.718 105.778 90.5957 PRESSAVG: 3569200 47.6218 -25.097 -46.8715 -25.097 14.7857 17.7529 -46.8715 17.7528 -26.8481 GPRESSAVG: 3569200 46.2792 -24.3748 -46.3813 -22.3678 14.7151 18.1836 -48.0178 17.7372 -25.1456 TIMING: 3569200 CPU: 10344, 0.00290182/step Wall: 10344, 0.00290182/step, 1.15331 hours remaining, 210.042969 MB of memory in use. ENERGY: 3569200 761.9544 2108.1431 1932.0552 115.6839 -206194.3728 17877.0906 0.0000 0.0000 34194.8007 -149204.6448 298.6317 -183399.4455 -149109.6320 298.7601 110.2831 143.4743 555823.2954 11.8531 11.9496 PRESSURE: 3569400 -232.839 -55.0316 128.857 -55.032 -256.574 159.593 128.856 159.595 -102.817 GPRESSURE: 3569400 -210.832 -108.391 166.516 7.00772 -229.36 175.374 58.4362 136.624 -51.7857 PRESSAVG: 3569400 47.7137 -10.8166 20.9882 -10.8166 -88.6308 -1.52807 20.9882 -1.52802 22.4239 GPRESSAVG: 3569400 48.0657 -12.5132 19.1408 -9.334 -88.6691 -0.229951 20.8551 -2.89083 22.24 TIMING: 3569400 CPU: 10344.6, 0.00285586/step Wall: 10344.6, 0.00285586/step, 1.13489 hours remaining, 210.042969 MB of memory in use. ENERGY: 3569400 711.0008 2064.9087 1960.1890 116.4422 -205974.8001 17585.9086 0.0000 0.0000 34327.0410 -149209.3098 299.7866 -183536.3508 -149108.7152 299.6538 -197.4100 -163.9926 559434.1702 -6.1644 -6.1211 PRESSURE: 3569600 -261.47 96.3358 153.42 96.3371 -251.404 -81.2683 153.421 -81.2679 52.2575 GPRESSURE: 3569600 -278.593 240.246 133.671 85.033 -166.87 -153.564 179.403 -45.5743 69.6446 PRESSAVG: 3569600 60.7209 -4.00082 14.6041 -4.00083 -21.667 0.33732 14.604 0.33729 0.378765 GPRESSAVG: 3569600 60.0558 0.0142466 12.5006 -6.00013 -20.2378 -0.497629 16.129 1.86533 0.0530619 TIMING: 3569600 CPU: 10345.2, 0.00287672/step Wall: 10345.2, 0.00287672/step, 1.14302 hours remaining, 210.042969 MB of memory in use. ENERGY: 3569600 771.0622 2105.8723 1956.6205 115.5697 -206013.3409 17730.8942 0.0000 0.0000 34273.1438 -149060.1781 299.3159 -183333.3219 -148962.0004 299.9015 -153.5391 -125.2726 559527.0191 13.1442 13.2903 PRESSURE: 3569800 100.74 22.9382 -121.943 22.9371 -153.375 -42.8208 -121.944 -42.8217 239.831 GPRESSURE: 3569800 157.813 -2.66257 -129.531 48.9525 -89.136 29.45 -79.4711 -78.8014 231.524 PRESSAVG: 3569800 -13.4438 13.8141 -5.00528 13.8142 -10.0948 -9.97166 -5.0053 -9.97167 37.8431 GPRESSAVG: 3569800 -12.2956 9.74295 -3.8651 14.694 -10.7255 -12.1747 -5.693 -8.9454 38.0024 TIMING: 3569800 CPU: 10345.8, 0.00290384/step Wall: 10345.8, 0.00290384/step, 1.15363 hours remaining, 210.042969 MB of memory in use. ENERGY: 3569800 760.5211 2110.9318 1935.8950 124.1798 -206557.5293 18062.2512 0.0000 0.0000 34353.7654 -149209.9850 300.0200 -183563.7504 -149110.5248 299.4149 62.3986 100.0670 560058.8974 4.7682 4.9937 PRESSURE: 3570000 -277.825 -78.4442 -61.4039 -78.4422 -48.9388 -121.759 -61.4038 -121.759 -11.8641 GPRESSURE: 3570000 -249.498 -101.824 -42.8119 -75.6661 6.48036 -101.559 -99.2231 -150.082 12.3649 PRESSAVG: 3570000 -44.8603 -39.2303 -19.0404 -39.2303 25.0831 -25.1975 -19.0405 -25.1975 -24.8323 GPRESSAVG: 3570000 -43.0823 -37.9091 -17.0665 -39.6645 24.2758 -21.947 -20.4869 -27.9659 -25.4164 TIMING: 3570000 CPU: 10346.3, 0.00289445/step Wall: 10346.3, 0.00289445/step, 1.14974 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3570000 749.6861 2059.4052 1954.9459 114.6387 -205954.7116 17764.5926 0.0000 0.0000 34133.8850 -149177.5580 298.0997 -183311.4430 -149076.8181 299.1121 -112.8758 -76.8841 558943.7046 -14.8698 -14.7410 PRESSURE: 3570200 22.0343 79.9004 22.32 79.8994 115.581 -4.31577 22.3201 -4.31537 237.467 GPRESSURE: 3570200 86.6676 54.1361 25.9272 41.1308 111.537 -15.2278 44.3573 51.0076 269.886 PRESSAVG: 3570200 -17.4964 36.1556 10.7308 36.1556 -29.3467 8.57333 10.7309 8.57332 54.7624 GPRESSAVG: 3570200 -18.2807 38.7566 8.71639 35.1965 -28.6556 7.52284 11.4772 8.05586 54.2787 TIMING: 3570200 CPU: 10346.9, 0.00289674/step Wall: 10346.9, 0.00289674/step, 1.15049 hours remaining, 210.042969 MB of memory in use. ENERGY: 3570200 776.7422 2121.4701 1925.3064 119.8306 -206309.7187 18008.9974 0.0000 0.0000 34199.6472 -149157.7248 298.6740 -183357.3719 -149056.5038 299.7232 125.0275 156.0302 556660.8478 2.6398 2.4475 PRESSURE: 3570400 48.4004 85.2642 129.817 85.2634 24.7256 157.511 129.817 157.51 385.934 GPRESSURE: 3570400 18.6425 104.852 123.953 -25.2785 91.738 188.448 193.081 60.5583 457.561 PRESSAVG: 3570400 -58.448 28.3624 1.76322 28.3625 44.9987 -21.5566 1.76327 -21.5565 50.8919 GPRESSAVG: 3570400 -58.2719 25.9973 2.16583 29.5432 44.3117 -21.7947 2.76662 -19.399 52.0875 TIMING: 3570400 CPU: 10347.5, 0.00286613/step Wall: 10347.5, 0.00286613/step, 1.13817 hours remaining, 210.042969 MB of memory in use. ENERGY: 3570400 750.1652 2099.7602 1947.3088 128.4473 -206266.7437 17882.1344 0.0000 0.0000 34303.0966 -149155.8312 299.5775 -183458.9277 -149061.8896 299.5280 153.0199 189.3139 556447.3961 12.4809 12.7091 PRESSURE: 3570600 119.797 -45.298 15.7633 -45.299 53.9709 98.6604 15.7636 98.6603 -29.7935 GPRESSURE: 3570600 138.161 -106.064 -85.0037 -31.4126 87.5902 12.3038 119.488 118.314 28.2507 PRESSAVG: 3570600 -37.0698 -4.66714 17.3415 -4.66713 44.6368 13.3196 17.3414 13.3196 -43.7473 GPRESSAVG: 3570600 -37.1236 -3.44784 18.447 -5.14331 45.4785 13.6665 17.6627 13.4031 -44.0265 TIMING: 3570600 CPU: 10348.1, 0.00288428/step Wall: 10348.1, 0.00288428/step, 1.14522 hours remaining, 210.042969 MB of memory in use. ENERGY: 3570600 767.8022 2087.2443 1947.5129 113.3886 -206297.1679 18052.5520 0.0000 0.0000 34113.5954 -149215.0725 297.9225 -183328.6679 -149124.7172 299.2044 47.9914 84.6674 557533.6197 -12.0601 -11.8905 PRESSURE: 3570800 -13.6667 109.199 100.81 109.199 64.315 51.1359 100.809 51.1357 -200.367 GPRESSURE: 3570800 -81.9424 -3.41435 7.96796 165.171 172.068 42.1519 17.1961 -71.0367 -148.707 PRESSAVG: 3570800 -11.3597 -6.61898 40.2405 -6.6189 -15.5532 1.42433 40.2404 1.42426 64.4682 GPRESSAVG: 3570800 -11.0212 -7.21437 38.1148 -6.1595 -16.4202 2.54016 40.9857 0.83774 64.9835 TIMING: 3570800 CPU: 10348.6, 0.00285951/step Wall: 10348.6, 0.00285951/step, 1.13522 hours remaining, 210.042969 MB of memory in use. ENERGY: 3570800 775.4838 2119.3498 1926.8789 99.5538 -206154.1183 17616.5210 0.0000 0.0000 34436.7538 -149179.5772 300.7447 -183616.3310 -149083.0250 299.3016 -49.9063 -19.5271 556556.0345 12.5184 12.5140 PRESSURE: 3571000 -304.892 240.388 -102.879 240.388 -214.462 63.4154 -102.878 63.4158 -126.14 GPRESSURE: 3571000 -240.479 366.434 -113.326 137.899 -191.723 124.262 -92.9794 14.8777 -108 PRESSAVG: 3571000 -54.9989 35.457 -3.24349 35.457 44.4667 -18.2106 -3.24344 -18.2107 -23.6829 GPRESSAVG: 3571000 -54.4294 36.994 -0.641768 33.7513 45.023 -19.2018 -4.63895 -18.0446 -24.4859 TIMING: 3571000 CPU: 10349.2, 0.0028741/step Wall: 10349.2, 0.0028741/step, 1.14086 hours remaining, 210.042969 MB of memory in use. ENERGY: 3571000 772.4339 2100.2277 1931.7360 112.8584 -205379.7381 17241.5753 0.0000 0.0000 33973.2531 -149247.6538 296.6969 -183220.9068 -149159.0849 299.2723 -215.1648 -180.0672 557661.1103 -11.4050 -11.2974 PRESSURE: 3571200 -104.267 -7.87078 54.2504 -7.87059 -11.4218 26.2231 54.2506 26.2238 41.9661 GPRESSURE: 3571200 -62.2589 105.594 4.56349 -36.2801 18.0817 -16.2373 116.611 31.839 69.5867 PRESSAVG: 3571200 43.666 -0.695112 -8.59258 -0.695134 0.958895 -8.26639 -8.59259 -8.26647 3.50235 GPRESSAVG: 3571200 42.8148 -1.91773 -8.97417 0.960859 2.79359 -9.27659 -9.50221 -7.72091 2.85386 TIMING: 3571200 CPU: 10349.8, 0.00289563/step Wall: 10349.8, 0.00289563/step, 1.14924 hours remaining, 210.042969 MB of memory in use. ENERGY: 3571200 771.7227 2134.8839 1970.7187 116.0724 -206103.6040 17794.5543 0.0000 0.0000 34104.3494 -149211.3026 297.8418 -183315.6520 -149115.3775 299.6376 -24.5742 8.4698 556525.3479 16.0424 16.1541 PRESSURE: 3571400 -2.14971 -21.4021 36.664 -21.4012 -306.405 5.3031 36.6625 5.30416 84.4305 GPRESSURE: 3571400 -0.052928 85.7876 25.6495 -129.189 -271.208 148.897 9.93547 -172.517 151.438 PRESSAVG: 3571400 -10.4018 18.1046 -2.06273 18.1047 -23.4302 14.2505 -2.06269 14.2505 40.2237 GPRESSAVG: 3571400 -10.3818 17.2482 -1.7038 18.5168 -23.4911 15.7905 -0.777681 14.085 40.469 TIMING: 3571400 CPU: 10350.4, 0.00289085/step Wall: 10350.4, 0.00289085/step, 1.14719 hours remaining, 210.042969 MB of memory in use. ENERGY: 3571400 784.0645 2073.4712 1976.9555 128.1939 -206085.8694 17703.1445 0.0000 0.0000 34205.9957 -149214.0441 298.7295 -183420.0398 -149119.6060 299.3574 -74.7081 -39.9409 558271.5239 2.1306 2.1987 PRESSURE: 3571600 94.9955 -18.7576 -22.32 -18.7578 -136.019 2.27998 -22.3197 2.27925 -217.993 GPRESSURE: 3571600 137.116 22.5159 54.5617 -40.7135 -89.8368 35.5264 -81.0291 56.5915 -202.609 PRESSAVG: 3571600 51.3137 17.2751 -24.2383 17.2751 -45.3188 42.7271 -24.2383 42.7272 25.8464 GPRESSAVG: 3571600 51.7106 17.3646 -23.1305 17.1281 -45.7948 42.3032 -25.7377 43.0188 26.2053 TIMING: 3571600 CPU: 10350.9, 0.00287457/step Wall: 10350.9, 0.00287457/step, 1.14057 hours remaining, 210.042969 MB of memory in use. ENERGY: 3571600 741.3514 2101.2245 1969.4449 106.5384 -206399.2957 17866.9925 0.0000 0.0000 34348.0855 -149265.6584 299.9704 -183613.7439 -149174.6365 299.4667 -86.3388 -51.7766 557776.5185 10.6137 10.7070 PRESSURE: 3571800 -210.214 53.6557 -13.6347 53.6533 -550.232 -46.5516 -13.6359 -46.5521 30.6048 GPRESSURE: 3571800 -207.651 144.569 -3.09395 -52.9789 -497.872 -198.284 -13.6072 -0.776342 77.4456 PRESSAVG: 3571800 8.06052 -2.54896 -56.006 -2.54898 -29.5742 -36.0396 -56.006 -36.0395 -44.1697 GPRESSAVG: 3571800 8.82557 -1.63983 -57.5961 -3.73837 -30.5438 -35.9087 -53.8009 -37.8068 -44.2403 TIMING: 3571800 CPU: 10351.5, 0.00287985/step Wall: 10351.5, 0.00287985/step, 1.1425 hours remaining, 210.042969 MB of memory in use. ENERGY: 3571800 738.8984 2162.9456 1966.9817 112.4723 -205663.3497 17340.0752 0.0000 0.0000 34228.9853 -149112.9912 298.9302 -183341.9766 -149019.7756 299.4041 -243.2802 -209.3593 557708.2592 -21.8944 -21.9862 PRESSURE: 3572000 232.505 -99.2073 203.57 -99.2073 139.345 54.1786 203.57 54.1778 -9.44997 GPRESSURE: 3572000 242.957 -29.8442 228.811 -79.229 181.112 84.5976 134.553 -17.3951 35.0377 PRESSAVG: 3572000 12.5839 31.3712 72.6972 31.3711 -37.0271 33.7016 72.6971 33.7015 31.3777 GPRESSAVG: 3572000 12.5973 33.7815 71.5378 29.8787 -36.7977 33.6141 72.0661 34.4038 31.5356 TIMING: 3572000 CPU: 10352.1, 0.0028693/step Wall: 10352.1, 0.0028693/step, 1.13816 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3572000 745.0513 2123.6799 1948.8925 108.3757 -206172.6209 17782.1153 0.0000 0.0000 34373.3972 -149091.1090 300.1914 -183464.5061 -148986.4782 300.0070 120.8003 153.0358 556204.2194 2.3115 2.4451 PRESSURE: 3572200 -280.574 -121.606 -15.3259 -121.606 -130.016 -21.0872 -15.3256 -21.0878 -276.785 GPRESSURE: 3572200 -220.729 -53.0155 -46.7127 -151.943 -110.793 22.4593 -19.8078 63.9599 -266.131 PRESSAVG: 3572200 -22.138 -32.7619 22.9183 -32.762 5.61738 7.2152 22.9182 7.2152 0.254245 GPRESSAVG: 3572200 -23.1433 -34.8906 24.0912 -32.4841 7.34123 7.96131 22.6907 6.81298 -0.234097 TIMING: 3572200 CPU: 10352.7, 0.00286395/step Wall: 10352.7, 0.00286395/step, 1.13588 hours remaining, 210.042969 MB of memory in use. ENERGY: 3572200 719.5565 2063.3331 1932.7704 110.5188 -205795.6554 17466.1975 0.0000 0.0000 34332.7780 -149170.5011 299.8367 -183503.2791 -149076.4822 299.6137 -229.1250 -199.2176 556656.7382 -5.4221 -5.3454 LDB: ============= START OF LOAD BALANCING ============== 10356.1 LDB: ============== END OF LOAD BALANCING =============== 10356.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10356.1 LDB: ============= START OF LOAD BALANCING ============== 10356.3 LDB: Largest compute 4792 load 0.029918 is 25.4% of average load 0.118011 LDB: Average compute 0.001729 is 1.5% of average load 0.118011 LDB: TIME 10356.3 LOAD: AVG 0.118011 MAX 0.178164 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.887 MB LDB: TIME 10356.3 LOAD: AVG 0.118011 MAX 0.178164 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.09 MB LDB: TIME 10356.3 LOAD: AVG 0.118011 MAX 0.178164 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.09 MB LDB: ============== END OF LOAD BALANCING =============== 10356.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10356.4 PRESSURE: 3572400 -112.545 47.5381 -163.767 47.5372 34.5605 32.7209 -163.769 32.7208 102.154 GPRESSURE: 3572400 -65.8378 -19.7457 -89.2234 42.2067 74.0812 5.21874 -144.845 15.3365 100.29 PRESSAVG: 3572400 -19.5223 33.2371 43.2148 33.2372 9.85655 23.7061 43.2147 23.7062 3.31973 GPRESSAVG: 3572400 -20.1236 31.4914 42.571 34.1633 9.35169 24.9653 43.989 23.3811 3.80481 TIMING: 3572400 CPU: 10353.3, 0.00291651/step Wall: 10353.3, 0.00291651/step, 1.15656 hours remaining, 210.863281 MB of memory in use. ENERGY: 3572400 772.9206 2172.6550 1920.7740 113.7076 -206111.7199 17767.4031 0.0000 0.0000 34420.1119 -148944.1477 300.5994 -183364.2596 -148846.1164 299.7504 8.0565 36.1778 556639.9830 -2.1153 -2.3224 PRESSURE: 3572600 -174.617 -59.2814 109.417 -59.2819 -245.382 60.2475 109.418 60.2475 -38.2295 GPRESSURE: 3572600 -199.787 -61.7189 116.902 -58.9298 -215.048 98.1726 79.8702 -46.6885 44.6013 PRESSAVG: 3572600 -18.074 -24.5244 9.35409 -24.5243 38.6477 -26.2499 9.35411 -26.2499 9.91829 GPRESSAVG: 3572600 -16.4382 -22.8059 8.61456 -22.9232 37.4835 -27.1366 8.57603 -25.8395 9.5204 TIMING: 3572600 CPU: 10353.8, 0.00287165/step Wall: 10353.8, 0.00287165/step, 1.13861 hours remaining, 210.863281 MB of memory in use. ENERGY: 3572600 744.6787 2125.5786 1936.2942 120.9133 -205438.9589 17511.2364 0.0000 0.0000 34153.3620 -148846.8956 298.2698 -183000.2576 -148748.1226 300.1522 -152.7429 -123.4113 559902.4443 10.1640 10.1885 PRESSURE: 3572800 -236.271 36.4595 24.2525 36.4584 -51.4693 91.7405 24.2526 91.7407 -201.958 GPRESSURE: 3572800 -211.577 45.3563 6.59901 -12.8211 9.66345 67.1014 53.7486 210.249 -179.788 PRESSAVG: 3572800 -10.1305 17.7508 47.7296 17.7507 25.2626 27.3981 47.7295 27.3979 -10.6147 GPRESSAVG: 3572800 -11.7547 15.816 48.3861 15.6301 26.8842 27.5061 49.5663 27.5698 -10.7711 TIMING: 3572800 CPU: 10354.4, 0.00284922/step Wall: 10354.4, 0.00284922/step, 1.12956 hours remaining, 210.863281 MB of memory in use. ENERGY: 3572800 783.7667 2101.8797 1948.1228 112.2015 -206073.1186 17591.6055 0.0000 0.0000 34688.9485 -148846.5940 302.9472 -183535.5424 -148750.8353 300.4028 -163.2327 -127.2338 559037.8687 1.5058 1.4528 PRESSURE: 3573000 1.44061 -105.926 -91.1952 -105.926 57.5465 -23.3756 -91.1956 -23.3756 -200.198 GPRESSURE: 3573000 -32.1141 -165.688 -103.872 -157.711 138.726 -15.9763 -21.8419 2.06341 -148.696 PRESSAVG: 3573000 79.5128 -24.6404 -82.7966 -24.6404 -25.9112 -6.92031 -82.7966 -6.92036 -21.3907 GPRESSAVG: 3573000 80.3174 -24.8837 -83.2514 -22.3933 -26.499 -8.23809 -83.5818 -5.43532 -21.6231 TIMING: 3573000 CPU: 10355, 0.00287491/step Wall: 10355, 0.00287491/step, 1.13958 hours remaining, 210.863281 MB of memory in use. ENERGY: 3573000 721.9332 2105.2149 1939.5031 132.3606 -206012.7762 17790.7428 0.0000 0.0000 34337.9641 -148985.0575 299.8820 -183323.0216 -148887.1299 300.3464 -47.0704 -14.0281 558907.7053 10.7370 10.7318 PRESSURE: 3573200 48.0589 -39.8643 -77.0743 -39.863 34.0249 -83.3114 -77.0754 -83.3123 101.818 GPRESSURE: 3573200 29.0463 -92.082 -141.511 20.8165 74.0821 -167.94 -92.3853 -81.7999 174.201 PRESSAVG: 3573200 31.0818 25.2859 -62.0914 25.2861 -25.5461 -19.6444 -62.0914 -19.6445 31.6137 GPRESSAVG: 3573200 32.1114 26.2477 -64.1453 23.3125 -25.6151 -18.4267 -60.6828 -20.4544 30.6335 TIMING: 3573200 CPU: 10355.6, 0.00288593/step Wall: 10355.6, 0.00288593/step, 1.14379 hours remaining, 210.863281 MB of memory in use. ENERGY: 3573200 772.4053 2112.1044 1940.3034 115.1608 -206125.9053 17865.6296 0.0000 0.0000 34269.7171 -149050.5846 299.2860 -183320.3017 -148943.9657 299.9186 61.3006 92.4430 558038.9041 12.3831 12.3766 PRESSURE: 3573400 40.0587 24.3831 -139.904 24.3834 -40.9128 90.2358 -139.904 90.2345 104.125 GPRESSURE: 3573400 84.6211 -45.135 -56.0902 76.0652 9.18033 72.1111 -290.85 126.321 111.992 PRESSAVG: 3573400 -25.17 0.363893 -55.2178 0.363915 -10.7605 -16.9995 -55.2178 -16.9994 3.80403 GPRESSAVG: 3573400 -25.4643 1.51628 -53.1639 0.852936 -11.2335 -17.5994 -57.5084 -18.0416 5.13718 TIMING: 3573400 CPU: 10356.1, 0.00289331/step Wall: 10356.1, 0.00289331/step, 1.14655 hours remaining, 210.863281 MB of memory in use. ENERGY: 3573400 765.0596 2121.2104 1929.2816 117.2905 -206372.4193 17833.7877 0.0000 0.0000 34522.0897 -149083.6998 301.4900 -183605.7895 -148983.9886 299.2789 34.4236 68.5978 556863.2989 -10.7088 -10.5202 PRESSURE: 3573600 9.12411 156.792 50.6454 156.793 -47.6414 -123.231 50.6451 -123.229 126.13 GPRESSURE: 3573600 9.62842 71.6266 73.6568 130.666 40.1581 -25.3508 45.6588 -147.467 143.598 PRESSAVG: 3573600 42.2614 1.61881 -17.7219 1.61888 -47.2052 -8.95311 -17.722 -8.95311 17.4403 GPRESSAVG: 3573600 41.638 -0.3438 -16.6035 1.96537 -48.1659 -8.90645 -17.4177 -8.50388 18.3441 TIMING: 3573600 CPU: 10356.7, 0.00289606/step Wall: 10356.7, 0.00289606/step, 1.14748 hours remaining, 210.863281 MB of memory in use. ENERGY: 3573600 705.4106 2136.0751 1947.2988 102.4896 -206186.8692 17894.1188 0.0000 0.0000 34432.3619 -148969.1145 300.7064 -183401.4764 -148879.3467 300.0833 29.2042 64.4614 559156.3225 4.1655 3.9387 PRESSURE: 3573800 39.6532 38.6939 -200.136 38.6928 123.891 -50.3698 -200.137 -50.3687 -227.833 GPRESSURE: 3573800 41.4413 95.8103 -201.151 48.8859 170.503 7.11006 -145.546 -88.7024 -166.995 PRESSAVG: 3573800 -64.8021 25.1551 15.7095 25.1551 -22.4691 46.1298 15.7095 46.1298 76.2777 GPRESSAVG: 3573800 -64.9195 25.4945 15.8348 26.3855 -22.153 45.5558 13.7783 48.9399 75.6314 TIMING: 3573800 CPU: 10357.3, 0.00288948/step Wall: 10357.3, 0.00288948/step, 1.14472 hours remaining, 210.863281 MB of memory in use. ENERGY: 3573800 768.2061 2077.5779 1946.9450 113.6972 -206240.2830 17837.9953 0.0000 0.0000 34488.2415 -149007.6200 301.1944 -183495.8615 -148919.2419 301.1567 -21.4298 14.9831 558459.8102 -3.6645 -3.8137 PRESSURE: 3574000 138.246 150.681 -15.8215 150.68 47.6327 -53.4008 -15.8209 -53.4006 -75.2338 GPRESSURE: 3574000 170.658 209.231 -34.7495 124.792 67.4098 -39.382 -18.0862 -142.316 -26.0373 PRESSAVG: 3574000 13.44 -5.42934 -12.6521 -5.42945 19.5539 -36.9058 -12.6521 -36.9058 -37.4842 GPRESSAVG: 3574000 14.1106 -5.04956 -15.3528 -6.90596 19.5197 -35.2132 -12.0103 -40.8588 -37.7547 TIMING: 3574000 CPU: 10357.9, 0.00289976/step Wall: 10357.9, 0.00289976/step, 1.14863 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3574000 745.7566 2074.3633 1921.7955 113.9043 -206147.0013 17887.5080 0.0000 0.0000 34442.0913 -148961.5823 300.7914 -183403.6736 -148866.5628 300.1623 36.8817 70.6768 557575.0084 -1.4968 -1.3748 PRESSURE: 3574200 -179.853 -73.8578 19.9984 -73.8589 7.99964 5.98169 19.9984 5.98101 -448.919 GPRESSURE: 3574200 -137.797 -38.4859 -11.8147 -41.3166 21.3554 25.0071 80.8186 54.6174 -404.909 PRESSAVG: 3574200 -56.3233 -12.4197 68.6092 -12.4197 32.2534 21.3496 68.6091 21.3497 58.7684 GPRESSAVG: 3574200 -55.5167 -13.7163 68.22 -11.6589 32.7285 20.0127 70.4841 24.3173 57.6289 TIMING: 3574200 CPU: 10358.4, 0.00288298/step Wall: 10358.4, 0.00288298/step, 1.14182 hours remaining, 210.863281 MB of memory in use. ENERGY: 3574200 745.7598 2083.0196 1924.5887 110.9582 -205842.1915 17618.0480 0.0000 0.0000 34406.0358 -148953.7814 300.4765 -183359.8172 -148859.6564 300.2912 -206.9241 -173.7837 558722.3925 11.5662 11.6136 PRESSURE: 3574400 -193.543 -7.36839 -3.27602 -7.36814 135.393 -56.8666 -3.27477 -56.867 -38.5292 GPRESSURE: 3574400 -184.209 34.3103 -75.5679 106.108 140.024 -14.8736 9.79992 -41.0247 39.1854 PRESSAVG: 3574400 5.97289 16.868 33.5104 16.868 71.8858 -38.5413 33.5104 -38.5413 -20.5449 GPRESSAVG: 3574400 5.57153 15.7808 34.741 17.0232 71.4318 -40.114 32.8822 -40.15 -19.7908 TIMING: 3574400 CPU: 10359, 0.0028871/step Wall: 10359, 0.0028871/step, 1.14329 hours remaining, 210.863281 MB of memory in use. ENERGY: 3574400 791.8973 2073.9474 1937.7313 122.3147 -206143.1720 17799.7693 0.0000 0.0000 34392.4930 -149025.0191 300.3582 -183417.5120 -148930.6395 299.9940 -32.2266 -1.6664 557163.6079 19.1046 19.0708 PRESSURE: 3574600 176.198 -2.72626 126.401 -2.7262 -160.308 -49.8881 126.401 -49.8892 74.3376 GPRESSURE: 3574600 233.955 32.4833 99.9378 -23.6582 -121.139 -44.8991 159.025 -45.7965 73.3056 PRESSAVG: 3574600 -30.1954 21.0651 8.32364 21.0652 35.3268 -0.605422 8.32369 -0.605491 19.5954 GPRESSAVG: 3574600 -29.886 22.2755 8.02687 20.0663 36.1532 1.68576 7.88211 -0.0971005 17.8022 TIMING: 3574600 CPU: 10359.6, 0.00287291/step Wall: 10359.6, 0.00287291/step, 1.13751 hours remaining, 211.066406 MB of memory in use. ENERGY: 3574600 725.2582 2143.5604 1949.1776 113.3373 -206413.8573 17932.1587 0.0000 0.0000 34444.2657 -149106.0995 300.8103 -183550.3651 -149015.6789 299.0948 30.0756 62.0408 557233.5132 8.2423 8.0232 PRESSURE: 3574800 -17.8332 -11.3966 -10.236 -11.3977 90.9125 80.6723 -10.235 80.6715 -158.814 GPRESSURE: 3574800 13.7637 39.6425 -5.64727 -120.415 71.3073 59.4707 19.9172 153.555 -65.13 PRESSAVG: 3574800 6.80196 -0.41562 -8.89788 -0.415705 -6.9455 8.83426 -8.89782 8.83413 6.94039 GPRESSAVG: 3574800 7.66992 0.630846 -8.4764 -2.66941 -8.48602 7.4301 -8.52711 10.1679 7.82209 TIMING: 3574800 CPU: 10360.2, 0.00285896/step Wall: 10360.2, 0.00285896/step, 1.13183 hours remaining, 211.066406 MB of memory in use. ENERGY: 3574800 755.0663 2119.9488 1936.5817 120.7070 -206169.6014 17919.3666 0.0000 0.0000 34228.3645 -149089.5666 298.9248 -183317.9311 -148992.7506 299.4492 -28.5782 6.6470 558202.4701 2.2656 2.3353 PRESSURE: 3575000 4.87296 -26.9846 -42.0805 -26.9846 -223.41 24.028 -42.0802 24.0278 -87.11 GPRESSURE: 3575000 127.452 -39.2165 -48.1934 -60.9891 -198.715 16.8356 -104.488 9.93097 -129.35 PRESSAVG: 3575000 27.9731 -72.3116 -28.4178 -72.3114 61.729 27.4296 -28.4179 27.4295 -53.4187 GPRESSAVG: 3575000 26.8601 -73.1422 -28.9069 -68.4887 62.5017 29.1279 -29.3293 26.2821 -53.3063 TIMING: 3575000 CPU: 10360.7, 0.00286052/step Wall: 10360.7, 0.00286052/step, 1.13229 hours remaining, 211.066406 MB of memory in use. ENERGY: 3575000 726.2221 2082.4323 1938.7902 122.3376 -205899.4921 17616.7630 0.0000 0.0000 34231.3064 -149181.6404 298.9505 -183412.9468 -149096.1045 298.9704 -101.8824 -66.8712 557722.0049 12.0945 12.0185 PRESSURE: 3575200 -91.0709 34.113 57.8521 34.1143 98.3022 -38.8228 57.8522 -38.8221 84.111 GPRESSURE: 3575200 -90.7144 59.5614 123.29 -48.6921 142.312 -40.3619 -35.0061 -36.3685 133.854 PRESSAVG: 3575200 19.717 -45.8303 81.5048 -45.8302 20.0197 33.5956 81.5048 33.5955 -25.3896 GPRESSAVG: 3575200 19.7333 -46.3432 83.4462 -47.1646 20.7442 32.1509 81.9879 33.2243 -26.0411 TIMING: 3575200 CPU: 10361.3, 0.00286892/step Wall: 10361.3, 0.00286892/step, 1.13545 hours remaining, 211.066406 MB of memory in use. ENERGY: 3575200 752.5351 2115.6989 1922.5204 100.6530 -205922.9170 17816.7243 0.0000 0.0000 34005.8594 -149208.9258 296.9816 -183214.7853 -149121.8166 298.4429 30.4474 61.8170 557340.4702 4.7824 4.8122 PRESSURE: 3575400 -168.851 117.224 -7.01195 117.223 -256.234 -89.2485 -7.01171 -89.2475 -68.5619 GPRESSURE: 3575400 -110.991 129.917 136.198 78.387 -288.793 -84.5649 -122.709 -92.1687 -4.71489 PRESSAVG: 3575400 49.6736 -47.6661 29.2568 -47.6661 11.5373 76.5583 29.2568 76.5584 -51.2839 GPRESSAVG: 3575400 48.6357 -47.5983 27.552 -48.7473 10.8488 75.2914 32.621 76.9249 -49.8719 TIMING: 3575400 CPU: 10361.9, 0.00286689/step Wall: 10361.9, 0.00286689/step, 1.13449 hours remaining, 211.066406 MB of memory in use. ENERGY: 3575400 730.2200 2103.1379 1942.4959 108.3398 -205945.0959 17511.4426 0.0000 0.0000 34179.8410 -149369.6188 298.5011 -183549.4598 -149271.8088 298.6561 -164.5492 -134.8331 558616.7183 3.3090 3.2042 PRESSURE: 3575600 88.9994 46.7799 29.8306 46.7783 -122.587 125.135 29.8283 125.136 -201.972 GPRESSURE: 3575600 51.1345 -24.4925 -27.047 80.7563 -71.5254 138.802 61.9083 93.2564 -119.146 PRESSAVG: 3575600 42.5945 56.2504 -23.7341 56.2504 20.8594 25.816 -23.7341 25.8161 -70.6788 GPRESSAVG: 3575600 43.275 57.1167 -23.2292 56.6705 21.2564 26.177 -25.1625 25.7532 -72.1096 TIMING: 3575600 CPU: 10362.5, 0.0028741/step Wall: 10362.5, 0.0028741/step, 1.13719 hours remaining, 211.066406 MB of memory in use. ENERGY: 3575600 728.3208 2050.6963 1945.9083 109.3500 -206088.7463 17651.6449 0.0000 0.0000 34191.7983 -149411.0277 298.6055 -183602.8260 -149310.7676 298.7013 -78.5200 -46.5123 556381.5629 -2.4083 -2.5261 PRESSURE: 3575800 -310.784 -46.4674 -87.0211 -46.4679 -345.404 80.86 -87.0222 80.8605 -254.02 GPRESSURE: 3575800 -275.661 -43.0431 -35.6613 -93.5606 -331.748 21.5856 -76.5044 204.878 -201.077 PRESSAVG: 3575800 29.6989 -1.93347 -18.8902 -1.93338 -37.6617 -11.1534 -18.8902 -11.1533 -18.7426 GPRESSAVG: 3575800 29.0206 -3.45471 -20.5484 -1.33401 -37.4556 -10.5695 -21.0308 -10.9931 -17.8352 TIMING: 3575800 CPU: 10363, 0.00288457/step Wall: 10363, 0.00288457/step, 1.14117 hours remaining, 211.066406 MB of memory in use. ENERGY: 3575800 734.0751 2067.6736 1940.4368 115.6155 -205776.2117 17471.3965 0.0000 0.0000 34140.0243 -149306.9898 298.1533 -183447.0141 -149211.5989 298.7891 -303.4027 -269.4957 558959.7799 -8.9018 -8.7567 PRESSURE: 3576000 79.2092 63.841 204.363 63.8403 -283.798 -91.9427 204.362 -91.9436 -72.162 GPRESSURE: 3576000 103.509 108.123 194.039 98.1806 -216.892 -87.7454 168.14 -16.8773 -49.2618 PRESSAVG: 3576000 -2.50149 76.1111 -14.9262 76.1111 -17.5035 -29.2257 -14.9262 -29.2257 35.8858 GPRESSAVG: 3576000 -2.42754 77.3437 -12.7569 74.4853 -17.9207 -31.1087 -14.5477 -27.7645 37.5057 TIMING: 3576000 CPU: 10363.6, 0.00286196/step Wall: 10363.6, 0.00286196/step, 1.13206 hours remaining, 211.066406 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: 3576000 769.2385 2066.3736 1909.0825 110.3418 -206271.7692 17833.8765 0.0000 0.0000 34161.2969 -149421.5593 298.3391 -183582.8562 -149329.3564 298.6401 -92.2504 -54.2149 558260.7749 5.2936 5.7192 PRESSURE: 3576200 280.84 -96.1248 27.188 -96.1259 -130.116 -0.684153 27.1879 -0.684828 63.8477 GPRESSURE: 3576200 367.245 -45.7738 -47.5095 -166.416 -66.3134 33.8148 61.3587 33.3868 23.2265 PRESSAVG: 3576200 40.9257 -39.9836 0.199716 -39.9836 -67.2643 6.34364 0.199651 6.34356 18.0008 GPRESSAVG: 3576200 44.7419 -40.6135 -0.919976 -39.3946 -69.0302 9.50264 0.925161 5.00492 16.4375 TIMING: 3576200 CPU: 10364.2, 0.0028689/step Wall: 10364.2, 0.0028689/step, 1.13465 hours remaining, 211.066406 MB of memory in use. ENERGY: 3576200 740.9401 2108.7581 1911.9457 123.9368 -206323.0902 17934.2372 0.0000 0.0000 34187.8909 -149315.3813 298.5714 -183503.2722 -149218.6330 299.0451 71.5242 108.0525 555997.8271 -2.7793 -2.6170 LDB: ============= START OF LOAD BALANCING ============== 10367.6 LDB: ============== END OF LOAD BALANCING =============== 10367.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10367.6 LDB: ============= START OF LOAD BALANCING ============== 10367.9 LDB: Largest compute 4792 load 0.030281 is 25.7% of average load 0.118041 LDB: Average compute 0.001730 is 1.5% of average load 0.118041 LDB: TIME 10367.9 LOAD: AVG 0.118041 MAX 0.180216 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 10367.9 LOAD: AVG 0.118041 MAX 0.180216 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: TIME 10367.9 LOAD: AVG 0.118041 MAX 0.180216 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10367.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10367.9 PRESSURE: 3576400 68.6262 32.7901 -22.4974 32.7884 149.249 120.75 -22.499 120.75 16.5582 GPRESSURE: 3576400 119.79 91.4434 20.8672 -5.91625 159.399 130.269 -108.019 77.0246 51.9262 PRESSAVG: 3576400 41.0005 -30.9483 -1.38177 -30.9483 -47.1282 -25.0092 -1.38186 -25.0093 35.2826 GPRESSAVG: 3576400 38.5391 -31.386 -1.51589 -30.6654 -45.5175 -26.289 -1.14944 -24.0513 35.2284 TIMING: 3576400 CPU: 10364.8, 0.0029328/step Wall: 10364.8, 0.00293281/step, 1.15976 hours remaining, 209.839844 MB of memory in use. ENERGY: 3576400 760.6315 2071.0779 1974.0177 110.3332 -206430.0857 17957.2084 0.0000 0.0000 34322.8103 -149234.0068 299.7496 -183556.8171 -149139.1618 298.9386 78.1446 110.3719 556046.6849 9.7183 9.4167 PRESSURE: 3576600 -99.8086 -211.032 78.3168 -211.033 166.983 162.64 78.3166 162.642 81.2072 GPRESSURE: 3576600 -62.02 -180.553 53.8564 -226.714 195.571 138.642 -41.2758 197.966 112.994 PRESSAVG: 3576600 13.2333 -42.0741 -0.0865456 -42.0741 -24.1952 -4.58985 -0.0865034 -4.5898 9.97987 GPRESSAVG: 3576600 12.8676 -42.3144 1.54743 -41.4439 -24.1828 -2.60291 -0.932579 -6.45837 10.1553 TIMING: 3576600 CPU: 10365.4, 0.0028991/step Wall: 10365.4, 0.0028991/step, 1.14627 hours remaining, 210.042969 MB of memory in use. ENERGY: 3576600 723.9587 2124.7588 1943.5055 104.6071 -206269.2237 17806.8445 0.0000 0.0000 33974.4123 -149591.1368 296.7070 -183565.5491 -149489.8970 298.4337 49.4606 82.1818 556275.5472 -0.3273 -0.3866 PRESSURE: 3576800 -65.6131 29.2682 -38.8952 29.2684 5.03778 69.5634 -38.8953 69.5638 -381.263 GPRESSURE: 3576800 -10.1793 -38.9072 -4.7067 108.806 10.0695 46.6983 -3.04627 101.934 -355.091 PRESSAVG: 3576800 15.6998 27.4447 13.0773 27.4448 -81.628 20.19 13.0773 20.19 18.6968 GPRESSAVG: 3576800 16.2298 27.209 10.9365 27.8291 -80.571 18.1215 13.633 23.7488 18.0185 TIMING: 3576800 CPU: 10365.9, 0.00286623/step Wall: 10365.9, 0.00286623/step, 1.13312 hours remaining, 210.042969 MB of memory in use. ENERGY: 3576800 753.4765 2037.9212 1955.7149 101.2256 -206309.2576 17811.1706 0.0000 0.0000 34185.4083 -149464.3404 298.5497 -183649.7487 -149368.4184 297.6434 -147.2794 -118.4002 558122.9773 -15.7438 -15.4409 PRESSURE: 3577000 -154.897 3.56503 -15.326 3.56593 87.4684 25.772 -15.3252 25.7704 62.153 GPRESSURE: 3577000 -87.6437 162.446 -111.534 -92.5785 108.044 76.8819 -22.7593 -34.7993 70.5784 PRESSAVG: 3577000 16.1311 99.581 -12.1242 99.581 33.4877 44.7666 -12.1242 44.7667 -49.3614 GPRESSAVG: 3577000 16.7232 99.9029 -13.118 99.7339 32.4308 46.4022 -11.6493 43.5929 -48.338 TIMING: 3577000 CPU: 10366.5, 0.00288599/step Wall: 10366.5, 0.00288599/step, 1.14077 hours remaining, 210.042969 MB of memory in use. ENERGY: 3577000 747.0736 2050.1322 1942.5919 107.1780 -206247.5329 17841.5688 0.0000 0.0000 34096.8516 -149462.1367 297.7763 -183558.9883 -149369.8830 298.0995 -1.7585 30.3262 556783.1712 0.0858 0.2720 PRESSURE: 3577200 128.326 66.1913 106.831 66.19 30.8714 58.5584 106.831 58.5582 110.461 GPRESSURE: 3577200 152.653 4.21308 118.357 145.099 74.2204 102.64 28.5708 42.9461 146.18 PRESSAVG: 3577200 -9.72337 62.1637 12.0493 62.1636 15.1643 -12.8072 12.0494 -12.8072 -6.84452 GPRESSAVG: 3577200 -10.3102 63.0145 14.196 61.8362 16.1244 -14.5221 10.8077 -13.6697 -6.9582 TIMING: 3577200 CPU: 10367.1, 0.00287178/step Wall: 10367.1, 0.00287178/step, 1.13499 hours remaining, 210.042969 MB of memory in use. ENERGY: 3577200 768.0754 2017.6329 1948.7613 122.9459 -206288.0632 18005.4076 0.0000 0.0000 34131.1591 -149294.0808 298.0759 -183425.2400 -149206.7506 298.9897 89.8861 124.3512 557425.2119 -0.4679 -0.3813 PRESSURE: 3577400 -173.256 -82.0338 -1.07891 -82.0329 124.17 88.4648 -1.07836 88.4653 -176.484 GPRESSURE: 3577400 -130.603 -49.6186 -63.138 -132.522 92.7965 100.684 66.4893 124.828 -85.697 PRESSAVG: 3577400 -33.8169 -15.3917 42.6201 -15.3917 19.3998 21.8488 42.6201 21.8488 43.9105 GPRESSAVG: 3577400 -33.5707 -15.5385 42.4586 -16.4644 18.8167 21.2642 42.3065 23.7351 43.9538 TIMING: 3577400 CPU: 10367.7, 0.00286931/step Wall: 10367.7, 0.00286931/step, 1.13385 hours remaining, 210.042969 MB of memory in use. ENERGY: 3577400 759.1778 2055.2713 1942.8253 114.6612 -206284.2933 17699.6738 0.0000 0.0000 34490.7542 -149221.9296 301.2163 -183712.6838 -149123.4097 298.4645 -75.1902 -41.1677 556801.8435 9.8311 9.7333 PRESSURE: 3577600 308.975 80.7916 -102.893 80.7917 -26.5774 -25.5911 -102.893 -25.589 257.757 GPRESSURE: 3577600 304.963 133.243 -101.471 74.4482 -39.972 2.33516 -72.1597 -36.0843 374.999 PRESSAVG: 3577600 -15.6965 -19.3253 4.31208 -19.3252 -3.77144 9.18702 4.31207 9.18715 19.8331 GPRESSAVG: 3577600 -16.1542 -20.249 3.3349 -18.8517 -3.49526 9.48441 6.14158 8.25661 19.66 TIMING: 3577600 CPU: 10368.2, 0.00284543/step Wall: 10368.2, 0.00284543/step, 1.12426 hours remaining, 210.042969 MB of memory in use. ENERGY: 3577600 721.4619 2013.3248 1994.1892 127.0891 -206392.6210 18029.8951 0.0000 0.0000 34330.0860 -149176.5750 299.8132 -183506.6610 -149083.7497 298.9175 180.0516 213.3297 555087.0352 0.1217 0.0035 PRESSURE: 3577800 -68.3877 20.6916 -27.0315 20.6917 -294.878 -6.46935 -27.032 -6.46944 -284.204 GPRESSURE: 3577800 -39.5017 32.4899 -75.0016 92.0599 -241.079 -16.5593 -21.5178 54.8029 -265.576 PRESSAVG: 3577800 46.1775 77.6164 -34.4522 77.6163 -5.73427 -13.7689 -34.4521 -13.7689 -25.7624 GPRESSAVG: 3577800 46.4703 79.3936 -33.9428 77.9512 -6.25252 -12.1941 -33.7969 -16.315 -25.6249 TIMING: 3577800 CPU: 10368.8, 0.00287955/step Wall: 10368.8, 0.00287955/step, 1.13758 hours remaining, 210.042969 MB of memory in use. ENERGY: 3577800 750.9986 2057.8592 1931.4152 119.3660 -205623.6130 17339.0119 0.0000 0.0000 34262.7490 -149162.2131 299.2251 -183424.9621 -149060.6740 299.0951 -215.8232 -182.0520 557326.1463 4.8936 4.8643 PRESSURE: 3578000 298.711 178.856 28.3751 178.857 -23.2015 96.9991 28.3743 96.9993 68.2257 GPRESSURE: 3578000 366.704 206.43 19.9334 148.523 22.0866 95.4345 44.8105 59.9967 61.3262 PRESSAVG: 3578000 -1.21833 34.1897 -31.452 34.1897 -44.9701 4.38556 -31.4521 4.38566 9.0149 GPRESSAVG: 3578000 -0.793245 31.5344 -30.4891 35.6049 -45.2348 2.91494 -33.1454 7.75468 9.16779 TIMING: 3578000 CPU: 10369.4, 0.0028885/step Wall: 10369.4, 0.0028885/step, 1.14096 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3578000 685.2650 2032.8876 1933.2571 119.3451 -205954.4179 17758.6103 0.0000 0.0000 34285.3123 -149139.7404 299.4222 -183425.0527 -149048.7596 298.9790 114.5784 150.0388 556715.9072 -12.3912 -12.2868 PRESSURE: 3578200 20.9654 19.6253 98.7541 19.6229 -49.6127 -1.4513 98.7548 -1.45111 241.19 GPRESSURE: 3578200 19.0536 120.885 126.085 -81.9627 27.4665 10.7609 130.023 -7.12707 259.118 PRESSAVG: 3578200 -23.7874 16.4525 33.8325 16.4526 38.9731 -28.1209 33.8324 -28.121 -31.8331 GPRESSAVG: 3578200 -23.5426 17.431 33.9171 14.5909 39.1604 -27.7949 34.7331 -29.5051 -32.3425 TIMING: 3578200 CPU: 10370, 0.00289793/step Wall: 10370, 0.00289793/step, 1.14452 hours remaining, 210.042969 MB of memory in use. ENERGY: 3578200 713.3530 2067.1675 1950.0957 115.3582 -205825.2097 17850.2734 0.0000 0.0000 34246.0486 -148882.9133 299.0793 -183128.9619 -148788.1475 299.7267 70.8477 101.8793 557708.1483 -5.5491 -5.5749 PRESSURE: 3578400 91.0985 80.6338 -44.2182 80.6329 162.219 -68.7168 -44.2185 -68.716 169.873 GPRESSURE: 3578400 114.57 67.9011 19.2471 77.3149 212.409 -29.9256 -67.9308 -74.2862 198.219 PRESSAVG: 3578400 18.7584 45.0992 -38.7831 45.0992 -49.1162 -52.0256 -38.7831 -52.0256 1.18033 GPRESSAVG: 3578400 18.1037 46.3629 -38.67 46.6713 -48.1836 -50.5689 -39.196 -52.7941 1.01556 TIMING: 3578400 CPU: 10370.5, 0.00284812/step Wall: 10370.5, 0.00284812/step, 1.12469 hours remaining, 210.042969 MB of memory in use. ENERGY: 3578400 719.7711 2104.7837 1944.4866 121.6526 -205747.5945 17905.4655 0.0000 0.0000 34148.6580 -148802.7769 298.2287 -182951.4349 -148707.3799 299.8620 141.0637 175.0663 557559.4157 -9.7258 -9.6881 PRESSURE: 3578600 -1.99951 55.1772 -160.631 55.1781 -384.351 14.0963 -160.63 14.0955 -69.6433 GPRESSURE: 3578600 46.3242 27.4874 -111.581 73.5969 -405.686 -4.23052 -188.006 -22.777 -9.65838 PRESSAVG: 3578600 65.5509 10.6922 -52.6271 10.6922 -0.335245 -11.4256 -52.6271 -11.4255 -63.0734 GPRESSAVG: 3578600 65.591 10.9644 -52.0127 8.62087 -0.69273 -13.1776 -54.1635 -9.04774 -62.6907 TIMING: 3578600 CPU: 10371.1, 0.00286764/step Wall: 10371.1, 0.00286764/step, 1.13224 hours remaining, 210.042969 MB of memory in use. ENERGY: 3578600 731.2979 2068.7262 1941.7720 109.0255 -205763.3031 17558.3743 0.0000 0.0000 34524.7247 -148829.3825 301.5130 -183354.1072 -148732.1769 300.2129 -151.9979 -123.0067 560276.5686 0.7141 0.7359 PRESSURE: 3578800 -30.3293 95.1672 102.076 95.1663 -6.46492 80.5786 102.075 80.5799 53.4106 GPRESSURE: 3578800 -38.6922 69.9919 39.9105 97.6032 6.97646 75.2828 114.121 30.4599 148.413 PRESSAVG: 3578800 -18.5795 -48.9642 -31.5092 -48.9642 52.18 -19.0872 -31.5092 -19.0872 -35.739 GPRESSAVG: 3578800 -18.5575 -49.9837 -34.1305 -48.3148 52.7249 -18.0589 -29.693 -19.7243 -35.9001 TIMING: 3578800 CPU: 10371.7, 0.00287349/step Wall: 10371.7, 0.00287349/step, 1.13439 hours remaining, 210.042969 MB of memory in use. ENERGY: 3578800 731.6005 2054.8340 1962.6883 108.9414 -205909.1265 17772.2547 0.0000 0.0000 34405.3904 -148873.4170 300.4708 -183278.8074 -148776.5762 300.1438 5.5388 38.8991 558676.9709 -0.7128 -0.5775 PRESSURE: 3579000 -33.2819 55.5772 104.392 55.5772 93.2365 -107.276 104.392 -107.278 106.748 GPRESSURE: 3579000 6.61742 9.78183 136.234 134.536 139.233 -131.067 152.595 -163.398 121.618 PRESSAVG: 3579000 9.30063 -0.117934 -17.4349 -0.118026 20.1611 -21.0739 -17.4349 -21.0739 19.7347 GPRESSAVG: 3579000 9.80482 1.11719 -16.6967 -0.312555 20.0695 -20.3296 -16.307 -22.1758 18.8311 TIMING: 3579000 CPU: 10372.2, 0.00284506/step Wall: 10372.2, 0.00284506/step, 1.12301 hours remaining, 210.042969 MB of memory in use. ENERGY: 3579000 728.8837 2087.1895 1959.5316 105.8381 -206149.5246 17826.5860 0.0000 0.0000 34405.2086 -149036.2872 300.4692 -183441.4958 -148943.1559 299.6195 55.5677 89.1564 557061.8317 16.3988 16.2351 PRESSURE: 3579200 -5.99764 -33.2279 189.911 -33.2278 -17.14 -32.9543 189.91 -32.9534 32.9112 GPRESSURE: 3579200 36.2528 109.865 225.758 -79.6504 34.0553 68.5922 185.743 -48.5901 46.1945 PRESSAVG: 3579200 -30.982 -34.5307 25.0405 -34.5306 -13.4701 -1.97749 25.0405 -1.97755 23.9867 GPRESSAVG: 3579200 -31.626 -34.7453 26.9257 -35.3177 -13.4368 -3.97924 23.7595 -0.546608 24.5275 TIMING: 3579200 CPU: 10372.8, 0.00285047/step Wall: 10372.8, 0.00285047/step, 1.12498 hours remaining, 210.042969 MB of memory in use. ENERGY: 3579200 737.2308 2100.2368 1937.0974 113.0934 -205774.6375 17648.7958 0.0000 0.0000 34233.1331 -149005.0503 298.9665 -183238.1834 -148910.2020 299.9831 3.2578 38.8342 556861.4989 -6.8218 -6.8451 PRESSURE: 3579400 -52.7943 41.8947 59.0712 41.8947 -249.57 219.731 59.071 219.73 -234.732 GPRESSURE: 3579400 31.6438 31.0546 2.93476 -80.433 -267.442 205.556 57.4946 267.585 -199.224 PRESSAVG: 3579400 38.1482 -49.0224 12.342 -49.0223 -23.5523 18.9174 12.3421 18.9173 -54.6046 GPRESSAVG: 3579400 38.8399 -49.3594 10.8965 -48.394 -24.2805 19.4917 12.5638 17.8727 -53.9186 TIMING: 3579400 CPU: 10373.4, 0.00287274/step Wall: 10373.4, 0.00287274/step, 1.13361 hours remaining, 210.042969 MB of memory in use. ENERGY: 3579400 772.9363 2141.7334 1948.3807 100.2634 -205708.4604 17472.2095 0.0000 0.0000 34115.1222 -149157.8150 297.9358 -183272.9373 -149065.5785 299.0660 -179.0321 -145.0072 558023.9763 -13.3362 -13.1197 PRESSURE: 3579600 -129.085 84.5898 -33.2802 84.5886 -440.28 -144.158 -33.2806 -144.159 -470.481 GPRESSURE: 3579600 -103.57 65.4641 -57.6782 102.868 -399.813 -169.559 45.4423 -160.26 -448.871 PRESSAVG: 3579600 72.7243 -28.8265 38.0725 -28.8264 -0.824706 6.57238 38.0725 6.57233 -101.606 GPRESSAVG: 3579600 71.7365 -29.4848 39.5561 -27.2838 -0.548349 7.20201 36.2402 5.59625 -101.872 TIMING: 3579600 CPU: 10374, 0.0028716/step Wall: 10374, 0.0028716/step, 1.13301 hours remaining, 210.042969 MB of memory in use. ENERGY: 3579600 762.7925 2079.0545 1962.3175 113.2764 -205621.1963 17340.7980 0.0000 0.0000 34333.1118 -149029.8457 299.8396 -183362.9575 -148938.5156 298.7556 -346.6155 -317.4179 559678.2468 -9.9023 -10.2279 PRESSURE: 3579800 293.727 -57.5954 -94.3068 -57.5937 -147.819 -13.5631 -94.3056 -13.5635 73.4371 GPRESSURE: 3579800 349.984 -52.0744 -158.383 -128.463 -129.604 -22.9389 -55.7822 -11.8583 95.7348 PRESSAVG: 3579800 -0.595747 23.8815 -22.9281 23.8814 -21.5609 -13.8963 -22.928 -13.8964 13.1816 GPRESSAVG: 3579800 0.0860967 24.1741 -24.4754 21.7638 -21.8564 -13.0758 -20.7084 -14.7975 12.3924 TIMING: 3579800 CPU: 10374.5, 0.00286739/step Wall: 10374.5, 0.00286739/step, 1.13118 hours remaining, 210.042969 MB of memory in use. ENERGY: 3579800 686.6216 2086.5230 1943.1762 118.6469 -205937.8606 17703.1306 0.0000 0.0000 34385.6900 -149014.0723 300.2988 -183399.7623 -148918.3136 299.8861 73.1150 105.3719 557187.4083 -2.9917 -3.1260 PRESSURE: 3580000 83.2731 76.7539 67.0041 76.7536 -117.549 -61.3696 67.0025 -61.3701 -359.445 GPRESSURE: 3580000 103.356 65.9561 33.0317 9.82976 -30.9139 -65.9147 7.8421 -56.5148 -361.374 PRESSAVG: 3580000 17.7845 54.759 -40.1931 54.7589 8.69776 -47.8292 -40.1931 -47.8293 -58.3441 GPRESSAVG: 3580000 17.2943 54.6772 -39.0106 56.1901 8.16138 -48.0811 -41.0971 -47.4628 -57.471 TIMING: 3580000 CPU: 10375.1, 0.0028787/step Wall: 10375.1, 0.0028787/step, 1.13549 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3580000 773.1104 2104.1150 1928.8506 110.8529 -206086.2277 17746.6691 0.0000 0.0000 34453.6413 -148968.9884 300.8922 -183422.6297 -148874.3620 300.1995 -131.2402 -96.3105 558553.6528 -10.6206 -10.6717 PRESSURE: 3580200 -118.95 -93.1671 74.5757 -93.167 83.6787 -60.8659 74.5764 -60.8663 -118.275 GPRESSURE: 3580200 -85.6757 -73.9589 62.2704 -12.6854 94.2747 -103.599 50.9024 -53.9113 -55.5629 PRESSAVG: 3580200 -1.94496 -14.9109 -52.1645 -14.911 -10.5801 -35.2324 -52.1646 -35.2324 37.6665 GPRESSAVG: 3580200 -1.68695 -15.1951 -53.7033 -15.0996 -10.2645 -36.2556 -51.0898 -33.8174 37.1122 TIMING: 3580200 CPU: 10375.7, 0.00286293/step Wall: 10375.7, 0.00286293/step, 1.12911 hours remaining, 210.042969 MB of memory in use. ENERGY: 3580200 776.8040 2078.6950 1947.2131 125.6220 -206378.0908 17942.0003 0.0000 0.0000 34244.9876 -149262.7688 299.0700 -183507.7564 -149155.9310 299.8863 -51.1823 -15.6546 557575.3945 8.3805 8.3869 LDB: ============= START OF LOAD BALANCING ============== 10379.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10379.1 LDB: =============== DONE WITH MIGRATION ================ 10379.1 LDB: ============= START OF LOAD BALANCING ============== 10379.4 LDB: Largest compute 4792 load 0.029989 is 25.4% of average load 0.117950 LDB: Average compute 0.001732 is 1.5% of average load 0.117950 LDB: TIME 10379.4 LOAD: AVG 0.11795 MAX 0.178006 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 10379.4 LOAD: AVG 0.11795 MAX 0.178006 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: TIME 10379.4 LOAD: AVG 0.11795 MAX 0.178006 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10379.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10379.4 PRESSURE: 3580400 -76.3979 141.455 -159.504 141.455 -135.022 -57.8626 -159.503 -57.8637 -86.0347 GPRESSURE: 3580400 -109.467 54.4281 -136.776 227.637 -134.485 -77.0995 -131.222 -44.1888 47.6888 PRESSAVG: 3580400 -44.3342 -34.1755 -60.8735 -34.1755 -12.8086 -19.124 -60.8734 -19.1241 65.1204 GPRESSAVG: 3580400 -44.038 -34.6244 -60.8908 -34.435 -12.9056 -19.2223 -62.9797 -19.307 64.71 TIMING: 3580400 CPU: 10376.3, 0.00292837/step Wall: 10376.3, 0.00292837/step, 1.15475 hours remaining, 210.351562 MB of memory in use. ENERGY: 3580400 766.3605 2116.3758 1935.2321 112.3229 -206161.6788 17638.2020 0.0000 0.0000 34309.2799 -149283.9057 299.6315 -183593.1855 -149194.2017 298.5058 -99.1516 -65.4212 556793.8230 2.6592 2.5888 PRESSURE: 3580600 -16.648 28.5593 -93.5899 28.5596 8.15148 48.7497 -93.591 48.7498 -26.5189 GPRESSURE: 3580600 32.3052 62.9448 -34.8328 64.0633 35.2888 36.5163 -79.9066 51.8609 8.14251 PRESSAVG: 3580600 37.8266 27.1421 6.26634 27.1422 -53.4653 -0.00677203 6.26633 -0.00682766 -14.1663 GPRESSAVG: 3580600 36.6074 27.7157 4.44066 28.4522 -52.0744 0.595973 9.56484 0.692404 -14.4127 TIMING: 3580600 CPU: 10376.8, 0.00289107/step Wall: 10376.8, 0.00289107/step, 1.13988 hours remaining, 210.351562 MB of memory in use. ENERGY: 3580600 722.1650 2046.7853 1949.8628 117.0534 -206353.8861 17801.8992 0.0000 0.0000 34377.8834 -149338.2370 300.2306 -183716.1204 -149236.0682 299.4729 -11.6718 25.2455 556043.4412 -9.9350 -9.9599 PRESSURE: 3580800 -127.117 -115.58 -61.582 -115.579 167.774 92.5108 -61.5823 92.5112 -1.67474 GPRESSURE: 3580800 -93.5208 -56.1798 -54.2937 -149.096 192.134 66.9168 -99.7763 125.753 33.273 PRESSAVG: 3580800 40.4977 18.4328 19.2693 18.4327 -14.5644 43.8849 19.2693 43.8848 -28.3794 GPRESSAVG: 3580800 40.6739 19.5738 22.7038 16.3697 -15.3602 43.3224 16.4169 44.2126 -27.7626 TIMING: 3580800 CPU: 10377.4, 0.0028717/step Wall: 10377.4, 0.0028717/step, 1.13209 hours remaining, 210.351562 MB of memory in use. ENERGY: 3580800 712.1141 2075.2608 1952.3852 112.3416 -206291.3381 17853.6975 0.0000 0.0000 34261.6383 -149323.9006 299.2154 -183585.5389 -149229.7885 299.1448 12.9940 43.9620 556711.8917 -0.8153 -0.8163 PRESSURE: 3581000 -42.3213 9.74517 -54.6995 9.74566 11.342 -18.3177 -54.6997 -18.3182 -171.742 GPRESSURE: 3581000 43.0335 98.088 -90.1491 -70.1483 -9.36544 44.2716 -14.1739 -0.412851 -131.172 PRESSAVG: 3581000 -3.83287 76.817 22.6622 76.817 2.84686 27.0608 22.6622 27.0608 -26.7781 GPRESSAVG: 3581000 -4.31301 78.1931 20.7968 74.8108 2.89623 27.3029 23.1532 27.7212 -25.9721 TIMING: 3581000 CPU: 10378, 0.00284728/step Wall: 10378, 0.00284728/step, 1.1223 hours remaining, 210.351562 MB of memory in use. ENERGY: 3581000 732.6434 2099.0215 1961.3286 106.8854 -206430.3216 17813.4920 0.0000 0.0000 34263.1582 -149453.7925 299.2287 -183716.9506 -149355.7892 298.9417 -67.5737 -32.5013 555540.4094 -9.2547 -9.1296 PRESSURE: 3581200 -99.2607 -6.62369 32.1463 -6.62349 172.427 -38.4213 32.1455 -38.4215 176.922 GPRESSURE: 3581200 -61.2156 -9.23869 61.6897 -31.8255 221.554 -99.6774 33.7675 2.00715 178.284 PRESSAVG: 3581200 37.9409 27.4079 27.848 27.4079 14.9815 -23.1309 27.848 -23.1311 -20.6651 GPRESSAVG: 3581200 39.1179 27.5438 29.1696 26.9678 14.0326 -23.6092 29.1884 -23.3032 -21.1018 TIMING: 3581200 CPU: 10378.6, 0.00288261/step Wall: 10378.6, 0.00288261/step, 1.13607 hours remaining, 210.351562 MB of memory in use. ENERGY: 3581200 711.5255 2026.8280 1911.0039 107.7871 -206623.1994 18069.8913 0.0000 0.0000 34164.8498 -149631.3139 298.3701 -183796.1637 -149533.5068 298.8893 83.3628 112.8741 557271.4056 10.7524 10.6829 PRESSURE: 3581400 261.976 -176.409 183.935 -176.407 172.221 78.9621 183.936 78.9635 209.305 GPRESSURE: 3581400 296.131 -128.502 51.345 -159.647 176.717 39.6169 175.902 119.346 263.139 PRESSAVG: 3581400 -70.2208 21.0522 0.596661 21.0522 53.0059 2.49323 0.596566 2.4931 0.493311 GPRESSAVG: 3581400 -70.3716 19.8078 -1.65291 22.1509 53.4261 3.15192 0.555985 3.50512 0.496812 TIMING: 3581400 CPU: 10379.1, 0.00286924/step Wall: 10379.1, 0.00286924/step, 1.13064 hours remaining, 210.351562 MB of memory in use. ENERGY: 3581400 704.5989 2041.0047 1924.3425 109.2606 -206916.3477 18308.8740 0.0000 0.0000 34190.6664 -149637.6006 298.5956 -183828.2670 -149534.6200 297.8572 214.5008 245.3292 557631.5707 -5.5739 -5.4829 PRESSURE: 3581600 154.637 -16.4815 -23.3661 -16.4803 108.421 -55.9217 -23.3659 -55.9215 374.781 GPRESSURE: 3581600 206.919 28.9236 -31.0575 -1.8869 155.091 -118.633 31.6018 33.5448 378.683 PRESSAVG: 3581600 66.0526 -36.0829 33.8913 -36.0828 -47.0219 5.51085 33.8913 5.51091 -27.1981 GPRESSAVG: 3581600 66.5129 -37.6175 32.1007 -38.023 -47.056 6.08155 35.8167 4.83348 -27.567 TIMING: 3581600 CPU: 10379.7, 0.0028742/step Wall: 10379.7, 0.0028742/step, 1.13243 hours remaining, 210.351562 MB of memory in use. ENERGY: 3581600 686.0313 2100.1840 1958.5489 108.5768 -206748.2796 18264.7023 0.0000 0.0000 34101.4368 -149528.7994 297.8163 -183630.2362 -149427.0613 297.2738 212.6132 246.8975 557619.1357 -2.7225 -2.7034 PRESSURE: 3581800 6.23929 88.131 126.536 88.1309 -67.7263 50.8256 126.537 50.8246 -81.3316 GPRESSURE: 3581800 -23.9345 98.1764 187.572 -21.1072 59.1131 -27.7571 -25.007 17.3676 -72.0207 PRESSAVG: 3581800 15.5161 19.2484 33.0507 19.2484 -40.5252 -21.9156 33.0507 -21.9157 21.1405 GPRESSAVG: 3581800 14.355 19.0338 34.7143 20.6037 -40.7985 -22.2001 31.5256 -22.9335 22.2865 TIMING: 3581800 CPU: 10380.3, 0.00286809/step Wall: 10380.3, 0.00286809/step, 1.12987 hours remaining, 210.351562 MB of memory in use. ENERGY: 3581800 714.0031 2092.0744 1937.2876 115.1087 -206387.1234 17916.6915 0.0000 0.0000 33987.7218 -149624.2364 296.8232 -183611.9582 -149529.9064 298.4274 -47.6062 -12.2807 558680.0061 -1.2895 -1.3857 PRESSURE: 3582000 30.9848 -8.28074 43.8001 -8.28138 -95.2342 72.7722 43.8006 72.7702 -247.851 GPRESSURE: 3582000 91.2862 31.2422 259.11 -68.6672 -44.1979 91.7758 -10.0965 100.472 -258.09 PRESSAVG: 3582000 13.9253 -47.9705 20.7769 -47.9705 27.0113 11.0391 20.777 11.0392 -1.61692 GPRESSAVG: 3582000 14.0729 -45.8823 21.7278 -50.4474 27.4665 11.5927 21.84 11.1289 -2.15965 TIMING: 3582000 CPU: 10380.9, 0.00288441/step Wall: 10380.9, 0.00288441/step, 1.13614 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3582000 729.7872 2177.7703 1962.7982 107.8164 -206192.6583 17664.7401 0.0000 0.0000 34115.7968 -149433.9493 297.9417 -183549.7461 -149334.0349 298.0494 -104.0333 -70.3338 558309.3013 13.1065 13.1266 PRESSURE: 3582200 -124.574 89.2381 -28.1279 89.2383 -7.40163 17.7336 -28.1285 17.7337 -199.981 GPRESSURE: 3582200 -98.3784 11.4389 -149.76 114.737 59.6651 88.808 37.732 -7.8918 -197.561 PRESSAVG: 3582200 13.4473 38.4674 27.5947 38.4673 -18.7364 33.8229 27.5947 33.8229 -5.36277 GPRESSAVG: 3582200 13.8684 37.5122 25.5132 41.8776 -19.2227 33.1177 26.2935 35.6102 -5.31272 TIMING: 3582200 CPU: 10381.4, 0.00287702/step Wall: 10381.4, 0.00287702/step, 1.13307 hours remaining, 210.351562 MB of memory in use. ENERGY: 3582200 782.3033 2143.0084 1935.1805 136.3333 -206132.5056 17751.6421 0.0000 0.0000 34103.9879 -149280.0500 297.8386 -183384.0379 -149189.1752 298.0377 -110.6521 -78.7580 556871.8483 -3.5506 -3.5556 PRESSURE: 3582400 -25.2435 -31.1094 -14.5224 -31.1101 245.824 -39.0401 -14.5215 -39.0406 179.205 GPRESSURE: 3582400 24.9762 -5.89789 29.3075 -26.8348 238.127 11.3222 -50.2269 -145.581 240.615 PRESSAVG: 3582400 -0.154408 -9.66813 -12.5181 -9.66808 -9.2071 -23.3536 -12.5181 -23.3535 17.8711 GPRESSAVG: 3582400 0.276985 -8.45877 -12.5642 -11.2128 -10.5198 -23.2658 -12.5946 -25.2348 18.3804 TIMING: 3582400 CPU: 10382, 0.00287784/step Wall: 10382, 0.00287784/step, 1.13323 hours remaining, 210.351562 MB of memory in use. ENERGY: 3582400 725.7188 2120.9165 1939.4133 119.5720 -206798.0077 18245.3383 0.0000 0.0000 34354.0650 -149292.9839 300.0226 -183647.0489 -149194.2382 298.9558 133.2618 167.9062 557626.1263 2.8365 2.7125 PRESSURE: 3582600 -142.885 -8.32733 -19.4262 -8.32545 -131.876 140.661 -19.4255 140.66 -100.31 GPRESSURE: 3582600 -44.6082 38.1032 11.4493 -62.5907 -168.754 148.075 -116.106 128.088 -51.9559 PRESSAVG: 3582600 -41.6895 -44.3058 1.23088 -44.3058 -37.4737 -20.5532 1.23087 -20.5532 50.1517 GPRESSAVG: 3582600 -41.6982 -45.599 0.810057 -44.1065 -36.8469 -20.0476 1.43119 -19.6485 49.8285 TIMING: 3582600 CPU: 10382.6, 0.0028875/step Wall: 10382.6, 0.0028875/step, 1.13687 hours remaining, 210.351562 MB of memory in use. ENERGY: 3582600 745.3017 2134.9643 1963.7794 119.2593 -205877.8535 17520.1425 0.0000 0.0000 34306.3773 -149088.0290 299.6061 -183394.4063 -148990.1194 298.7451 -125.0237 -88.4395 557056.6362 -9.6705 -9.5722 PRESSURE: 3582800 -113.069 318.817 -32.8443 318.817 -62.2512 102.777 -32.8441 102.777 104.108 GPRESSURE: 3582800 -85.2087 315.604 -102.047 255.818 -37.3486 169.266 74.5407 17.6826 128.326 PRESSAVG: 3582800 17.888 12.6332 14.8144 12.6331 12.2884 41.7357 14.8144 41.7358 76.9981 GPRESSAVG: 3582800 18.3189 15.283 16.9356 9.63713 12.2211 40.9773 16.0242 41.2924 76.6712 TIMING: 3582800 CPU: 10383.2, 0.00288659/step Wall: 10383.2, 0.00288659/step, 1.13636 hours remaining, 210.351562 MB of memory in use. ENERGY: 3582800 741.3485 2107.0739 1963.8881 117.3900 -205993.4256 17847.0550 0.0000 0.0000 34372.6823 -148843.9876 300.1852 -183216.6700 -148740.2328 299.7657 -23.7374 1.9227 559237.3443 35.7249 35.7371 PRESSURE: 3583000 -257.068 -68.9764 232.114 -68.9772 -58.6426 -10.1697 232.113 -10.1705 -214.375 GPRESSURE: 3583000 -261.191 -3.86921 286.305 27.4134 35.7631 64.2005 144.807 -30.6365 -208.466 PRESSAVG: 3583000 -56.6117 19.3589 45.531 19.3589 7.13605 16.1711 45.531 16.1711 37.3715 GPRESSAVG: 3583000 -57.2739 16.6971 44.761 22.6285 7.6868 16.9392 45.1157 16.721 37.1927 TIMING: 3583000 CPU: 10383.7, 0.0028773/step Wall: 10383.7, 0.0028773/step, 1.13254 hours remaining, 210.351562 MB of memory in use. ENERGY: 3583000 803.3766 2161.4631 1926.6208 114.8682 -205348.4516 17317.9233 0.0000 0.0000 34398.1592 -148626.0403 300.4077 -183024.1995 -148539.3898 300.6880 -176.6953 -144.6315 557927.9202 -4.0347 -4.1315 PRESSURE: 3583200 143.878 108.633 3.72152 108.632 29.4297 -15.8209 3.72195 -15.8211 -10.5881 GPRESSURE: 3583200 175.018 108.393 -94.4548 145.205 91.8226 -47.9032 58.0874 29.5578 -9.94928 PRESSAVG: 3583200 55.2401 21.2462 54.0893 21.2462 18.1892 44.4709 54.0894 44.471 -74.6495 GPRESSAVG: 3583200 56.4321 21.2349 54.5548 19.4273 17.7958 44.4632 53.0186 44.6565 -74.6612 TIMING: 3583200 CPU: 10384.3, 0.00287255/step Wall: 10384.3, 0.00287255/step, 1.13051 hours remaining, 210.351562 MB of memory in use. ENERGY: 3583200 783.4221 2170.0792 1922.8589 107.3013 -206212.3710 17925.1508 0.0000 0.0000 34619.4549 -148684.1038 302.3403 -183303.5588 -148583.3560 301.4429 54.2399 85.6305 558003.8381 -0.4067 -0.1444 PRESSURE: 3583400 -150.519 -8.89633 -56.9476 -8.89715 -425.75 50.9986 -56.9478 50.9993 -126.752 GPRESSURE: 3583400 -90.0836 15.9276 -59.668 -67.0016 -356.452 154.008 -17.1957 5.20308 -161.617 PRESSAVG: 3583400 44.2961 8.04861 12.6346 8.04852 8.6448 -18.9322 12.6346 -18.9322 -46.6348 GPRESSAVG: 3583400 44.3816 7.70881 13.1304 9.88789 8.47013 -18.6711 12.1498 -20.37 -46.3164 TIMING: 3583400 CPU: 10384.9, 0.00287401/step Wall: 10384.9, 0.00287401/step, 1.13092 hours remaining, 210.351562 MB of memory in use. ENERGY: 3583400 697.5599 2141.7928 1960.2734 104.7407 -205487.1215 17357.6575 0.0000 0.0000 34459.6570 -148765.4402 300.9448 -183225.0973 -148666.8723 301.0978 -234.3404 -202.7175 558709.7857 2.1020 2.1784 PRESSURE: 3583600 352.963 55.104 -15.9271 55.1042 -59.5942 -111.846 -15.9285 -111.846 -159.888 GPRESSURE: 3583600 397.232 90.9315 37.5143 -14.8274 -11.8467 -122.215 31.5564 -153.172 -168.988 PRESSAVG: 3583600 54.376 36.0732 -11.276 36.0732 13.9128 13.8986 -11.276 13.8987 -53.1564 GPRESSAVG: 3583600 53.6403 37.4936 -11.6883 35.3861 14.127 14.9062 -8.04552 14.3767 -52.7371 TIMING: 3583600 CPU: 10385.5, 0.00286442/step Wall: 10385.5, 0.00286442/step, 1.12699 hours remaining, 210.351562 MB of memory in use. ENERGY: 3583600 740.4425 2109.6016 1931.7303 109.3218 -205993.0202 17903.3260 0.0000 0.0000 34533.4561 -148665.1418 301.5893 -183198.5979 -148560.0238 301.2395 44.4939 72.1326 558099.8910 5.0441 5.0101 PRESSURE: 3583800 217.702 -112.081 -18.0752 -112.081 39.9832 -5.60921 -18.076 -5.60878 -82.1442 GPRESSURE: 3583800 227.341 -52.7273 7.4385 -112.623 74.1165 85.6665 5.01254 -32.2759 -43.7257 PRESSAVG: 3583800 7.56931 20.9773 38.821 20.9773 -8.18956 -0.260025 38.821 -0.260047 -24.7686 GPRESSAVG: 3583800 7.30432 22.6769 37.8196 17.9847 -7.77818 1.54365 37.0212 -2.20698 -24.7098 TIMING: 3583800 CPU: 10386, 0.00289938/step Wall: 10386, 0.00289938/step, 1.14058 hours remaining, 210.351562 MB of memory in use. ENERGY: 3583800 759.2327 2137.7309 1927.4007 115.8311 -205858.5332 17711.3064 0.0000 0.0000 34523.5200 -148683.5113 301.5025 -183207.0313 -148585.2308 300.8946 58.5137 85.9107 557364.8840 -8.4630 -8.3946 PRESSURE: 3584000 120.118 81.2643 14.8685 81.2643 35.0015 -218.338 14.8679 -218.337 -71.8666 GPRESSURE: 3584000 195.572 128.092 15.3365 61.8465 49.3088 -253.376 -1.57733 -280.4 -64.1348 PRESSAVG: 3584000 30.509 3.73014 10.438 3.73022 -13.1656 -27.0293 10.438 -27.0293 -30.4242 GPRESSAVG: 3584000 32.4623 4.44032 11.3425 5.81745 -14.3899 -30.5628 10.5191 -24.4061 -30.489 TIMING: 3584000 CPU: 10386.6, 0.0028753/step Wall: 10386.6, 0.0028753/step, 1.13095 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3584000 747.9087 2197.2044 1946.7859 116.2375 -205949.1857 17687.5579 0.0000 0.0000 34392.9160 -148860.5753 300.3619 -183253.4913 -148761.5250 301.0017 27.7508 60.2486 556900.4788 -4.3602 -4.1389 PRESSURE: 3584200 125.74 6.5259 107.985 6.52539 78.6629 -100.843 107.984 -100.842 221.825 GPRESSURE: 3584200 170.596 31.4358 150.726 -12.5779 96.1262 -78.2995 26.5883 -175.007 254.071 PRESSAVG: 3584200 40.788 59.9548 -26.2297 59.9548 5.94768 -3.07779 -26.2297 -3.07779 -5.77948 GPRESSAVG: 3584200 38.4874 57.0188 -24.855 61.9101 7.44449 -2.59225 -27.4825 -3.89664 -5.4319 TIMING: 3584200 CPU: 10387.2, 0.00286778/step Wall: 10387.2, 0.00286778/step, 1.12784 hours remaining, 210.351562 MB of memory in use. ENERGY: 3584200 785.1276 2120.8386 1948.0616 110.6094 -206276.2278 18099.8582 0.0000 0.0000 34558.7887 -148652.9436 301.8105 -183211.7323 -148558.3001 300.4560 142.0758 173.5978 556865.8540 13.6521 13.5000 LDB: ============= START OF LOAD BALANCING ============== 10390.6 LDB: ============== END OF LOAD BALANCING =============== 10390.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10390.6 LDB: ============= START OF LOAD BALANCING ============== 10390.9 LDB: Largest compute 4792 load 0.028613 is 24.3% of average load 0.117915 LDB: Average compute 0.001725 is 1.5% of average load 0.117915 LDB: TIME 10390.9 LOAD: AVG 0.117915 MAX 0.177656 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 10390.9 LOAD: AVG 0.117915 MAX 0.177656 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: TIME 10390.9 LOAD: AVG 0.117915 MAX 0.177656 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: ============== END OF LOAD BALANCING =============== 10390.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10390.9 PRESSURE: 3584400 169.51 -122.308 -112.541 -122.307 -27.1585 121.293 -112.542 121.292 49.7271 GPRESSURE: 3584400 216.971 -108.906 -90.9911 -213.975 28.9473 150.419 -89.3428 178.947 34.0315 PRESSAVG: 3584400 7.15375 -43.7199 4.09897 -43.7198 25.4368 62.7471 4.09897 62.7471 -15.9957 GPRESSAVG: 3584400 8.71253 -42.8292 5.0067 -46.2382 24.896 63.958 6.11546 61.9914 -16.9947 TIMING: 3584400 CPU: 10387.8, 0.00290508/step Wall: 10387.8, 0.00290508/step, 1.14234 hours remaining, 211.179688 MB of memory in use. ENERGY: 3584400 767.0920 2149.0420 1927.4687 108.3531 -205964.2574 17804.0281 0.0000 0.0000 34386.5608 -148821.7127 300.3064 -183208.2735 -148720.7662 300.2411 64.0262 93.3167 558073.5012 5.5316 5.5379 PRESSURE: 3584600 46.3688 -58.6601 46.7957 -58.6609 -103.394 29.0548 46.7968 29.0543 122.468 GPRESSURE: 3584600 38.8575 -67.2752 18.5707 -13.5717 -16.8304 -36.4048 101.936 -17.3935 160.515 PRESSAVG: 3584600 30.152 -33.2188 65.4138 -33.2189 23.9228 -14.8829 65.4138 -14.883 -45.2911 GPRESSAVG: 3584600 29.638 -33.4303 62.1542 -32.6901 24.5621 -15.2122 63.7177 -15.3421 -45.2557 TIMING: 3584600 CPU: 10388.3, 0.00286222/step Wall: 10388.3, 0.00286221/step, 1.12533 hours remaining, 211.179688 MB of memory in use. ENERGY: 3584600 783.9894 2088.1235 1955.3305 116.8131 -206098.4725 17983.1064 0.0000 0.0000 34366.6980 -148804.4117 300.1329 -183171.1096 -148707.0813 300.6129 21.8142 60.8475 558751.5307 2.9279 2.9814 PRESSURE: 3584800 -262.053 -131.871 -90.813 -131.871 8.22321 -152.937 -90.8122 -152.938 22.1348 GPRESSURE: 3584800 -227.972 -61.0981 -221.137 -126.755 52.5392 -46.6948 -1.02583 -96.9908 44.6934 PRESSAVG: 3584800 34.1942 -31.8353 7.97151 -31.8353 -51.6574 -17.0573 7.97148 -17.0573 -44.7121 GPRESSAVG: 3584800 34.8695 -32.2379 9.34664 -30.4707 -52.722 -15.5633 9.01942 -17.3952 -44.6771 TIMING: 3584800 CPU: 10388.9, 0.00289211/step Wall: 10388.9, 0.00289211/step, 1.13692 hours remaining, 211.179688 MB of memory in use. ENERGY: 3584800 748.7072 2125.9088 1951.7228 117.5521 -205957.6795 17656.7758 0.0000 0.0000 34433.1087 -148923.9041 300.7129 -183357.0127 -148828.2754 299.4650 -77.2316 -43.5797 558684.4596 -20.7251 -20.8432 PRESSURE: 3585000 -84.802 -6.49649 9.20409 -6.49706 237.441 -126.089 9.20512 -126.089 81.7966 GPRESSURE: 3585000 -84.8558 -101.319 23.3838 5.16205 305.574 -51.3888 63.3684 -111.148 103.697 PRESSAVG: 3585000 19.5403 -20.9239 -12.6564 -20.9238 11.348 -18.4031 -12.6564 -18.4031 9.91753 GPRESSAVG: 3585000 19.5083 -21.1768 -12.7313 -20.8699 11.441 -17.8478 -11.1679 -18.1699 8.91231 TIMING: 3585000 CPU: 10389.5, 0.00289387/step Wall: 10389.5, 0.00289387/step, 1.13745 hours remaining, 211.179688 MB of memory in use. ENERGY: 3585000 786.3656 2116.1429 1937.6144 106.8785 -206234.2726 17992.5309 0.0000 0.0000 34356.5268 -148938.2135 300.0441 -183294.7403 -148838.5438 299.5653 78.1453 108.1383 558360.2762 13.6019 13.2872 PRESSURE: 3585200 -311.825 109.927 -116.169 109.928 -18.0455 -31.2802 -116.169 -31.2805 -217.127 GPRESSURE: 3585200 -320.265 91.5398 -174.023 150.483 28.3845 7.48941 -135.928 16.8729 -139.096 PRESSAVG: 3585200 -18.4511 0.814483 -78.6178 0.81451 70.4017 -12.5748 -78.6177 -12.5749 -34.5758 GPRESSAVG: 3585200 -20.8092 2.85616 -78.3068 -0.872739 71.3648 -13.7523 -79.4844 -11.132 -33.7604 TIMING: 3585200 CPU: 10390.1, 0.0028866/step Wall: 10390.1, 0.0028866/step, 1.13443 hours remaining, 211.179688 MB of memory in use. ENERGY: 3585200 753.8385 2089.6179 1946.7518 118.6932 -205864.2887 17651.0134 0.0000 0.0000 34343.3698 -148961.0041 299.9292 -183304.3739 -148869.2348 299.5506 -182.3326 -143.6590 559243.0063 5.7916 5.5984 PRESSURE: 3585400 145.168 68.0637 -95.7994 68.0632 29.3076 117.718 -95.8002 117.72 306.609 GPRESSURE: 3585400 175.827 31.8935 -99.5932 79.993 76.6948 197.988 -75.7064 156.817 322.548 PRESSAVG: 3585400 53.6263 22.8153 -25.5126 22.8152 -3.258 6.23784 -25.5126 6.23762 -23.3662 GPRESSAVG: 3585400 55.4004 21.1549 -24.0055 24.3824 -3.7063 7.39656 -26.688 6.66589 -24.9066 TIMING: 3585400 CPU: 10390.7, 0.0028786/step Wall: 10390.7, 0.0028786/step, 1.13113 hours remaining, 211.179688 MB of memory in use. ENERGY: 3585400 753.2367 2108.1174 1928.3640 116.9376 -206190.3720 17964.7701 0.0000 0.0000 34290.1250 -149028.8212 299.4642 -183318.9462 -148933.8945 300.0151 160.3614 191.6897 557442.4315 9.0007 8.9291 PRESSURE: 3585600 -77.0042 -135.334 -109.256 -135.332 -90.2661 15.4119 -109.255 15.4124 94.0083 GPRESSURE: 3585600 -34.647 -237.118 -171.208 -61.496 -37.132 67.6828 -100.442 -67.7148 107.247 PRESSAVG: 3585600 53.3671 -58.6438 43.3875 -58.6439 -62.2404 -34.4631 43.3874 -34.4631 45.3808 GPRESSAVG: 3585600 53.7278 -56.7673 42.5461 -59.506 -63.6038 -36.4599 42.4735 -34.1901 46.2979 TIMING: 3585600 CPU: 10391.2, 0.00288042/step Wall: 10391.2, 0.00288042/step, 1.13169 hours remaining, 211.179688 MB of memory in use. ENERGY: 3585600 747.3012 2126.7203 1942.6952 113.8584 -205949.6430 17766.2150 0.0000 0.0000 34326.3691 -148926.4839 299.7807 -183252.8529 -148827.9149 299.8598 -24.4206 11.8227 558684.6411 12.1691 12.1406 PRESSURE: 3585800 -232.27 227.882 -156.71 227.883 -315.323 -27.8988 -156.711 -27.8974 -187.505 GPRESSURE: 3585800 -154.836 190.94 -184.56 246.434 -306.792 -31.8102 -112.125 12.0875 -174.805 PRESSAVG: 3585800 -56.5243 -2.18748 35.6046 -2.18748 10.6108 4.71194 35.6046 4.71196 31.4711 GPRESSAVG: 3585800 -56.1597 -4.68723 33.5021 -2.10222 11.0483 5.94497 37.3931 2.55874 30.6877 TIMING: 3585800 CPU: 10391.8, 0.00287172/step Wall: 10391.8, 0.00287172/step, 1.12811 hours remaining, 211.179688 MB of memory in use. ENERGY: 3585800 785.7933 2102.1209 1930.7854 97.2713 -205617.0937 17434.2833 0.0000 0.0000 34281.1119 -148985.7276 299.3855 -183266.8395 -148887.9987 299.8634 -245.0330 -212.1445 559106.1238 -4.8141 -4.8079 PRESSURE: 3586000 9.69748 -108.533 -140.048 -108.532 6.6475 -17.2415 -140.046 -17.2412 65.0259 GPRESSURE: 3586000 18.9862 -84.8038 -134.656 -140.605 62.5714 -93.9566 -150.668 49.3057 108.168 PRESSAVG: 3586000 -28.6318 -25.1274 12.7843 -25.1275 26.3904 -44.5211 12.7843 -44.5212 13.215 GPRESSAVG: 3586000 -29.1592 -23.798 13.9753 -25.8825 26.3727 -43.9533 12.7271 -43.2939 14.095 TIMING: 3586000 CPU: 10392.4, 0.00287652/step Wall: 10392.4, 0.00287652/step, 1.12983 hours remaining, 211.179688 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: 3586000 739.4656 2086.4681 1968.9289 120.5789 -205972.9237 17915.8508 0.0000 0.0000 34293.2750 -148848.3564 299.4917 -183141.6314 -148756.6590 299.6053 27.1236 63.2417 558132.3271 3.6579 3.7695 PRESSURE: 3586200 -143.302 -120.74 30.7123 -120.74 57.2501 -28.9295 30.7122 -28.9276 17.3906 GPRESSURE: 3586200 -117.396 -12.9465 12.0316 -210.77 117.4 -102.385 89.3443 4.51589 35.2632 PRESSAVG: 3586200 1.2007 -49.0406 -5.4396 -49.0407 38.2916 -19.0591 -5.43951 -19.059 -30.5567 GPRESSAVG: 3586200 0.769525 -49.1514 -6.84828 -49.6127 38.9886 -19.7981 -3.81005 -19.703 -30.1761 TIMING: 3586200 CPU: 10393, 0.00287409/step Wall: 10393, 0.00287409/step, 1.12872 hours remaining, 211.179688 MB of memory in use. ENERGY: 3586200 717.9233 2099.9482 1953.3379 114.6544 -205938.3485 17825.9036 0.0000 0.0000 34122.4942 -149104.0869 298.0002 -183226.5811 -149012.7525 299.8138 -22.8872 11.7556 558558.2800 2.9785 3.1940 PRESSURE: 3586400 -243.046 224.913 245.987 224.913 -57.3434 -90.9318 245.989 -90.9314 41.8417 GPRESSURE: 3586400 -177.306 204.713 249.313 178.96 -74.35 -131.817 195.894 -79.8936 90.0849 PRESSAVG: 3586400 -11.7329 46.1333 -21.4392 46.1333 20.467 -22.7957 -21.4393 -22.7956 17.0473 GPRESSAVG: 3586400 -12.3863 43.7236 -18.6992 47.1415 19.9948 -25.1127 -23.4746 -19.9197 18.0575 TIMING: 3586400 CPU: 10393.5, 0.00287414/step Wall: 10393.5, 0.00287414/step, 1.12858 hours remaining, 211.179688 MB of memory in use. ENERGY: 3586400 742.9598 2103.7737 1917.3524 101.8833 -205945.1603 17528.6355 0.0000 0.0000 34355.0641 -149195.4916 300.0313 -183550.5556 -149097.8145 299.1206 -86.1826 -53.8569 556724.8609 8.5938 8.5553 PRESSURE: 3586600 -102.565 106.61 100.242 106.61 193.867 76.3944 100.241 76.3945 335.464 GPRESSURE: 3586600 -42.6124 149.448 109.829 111.587 222.733 96.5072 107.199 28.5179 327.077 PRESSAVG: 3586600 -46.0633 31.3109 44.6693 31.3109 24.8405 -38.6036 44.6693 -38.6035 4.80398 GPRESSAVG: 3586600 -44.939 30.5127 43.8598 33.1347 24.7004 -36.5986 44.654 -40.9392 3.49078 TIMING: 3586600 CPU: 10394.1, 0.00286379/step Wall: 10394.1, 0.00286379/step, 1.12436 hours remaining, 211.179688 MB of memory in use. ENERGY: 3586600 741.7598 2122.6118 1939.3765 106.4213 -205975.0310 17857.6252 0.0000 0.0000 34290.5122 -148916.7242 299.4676 -183207.2365 -148817.4838 300.0403 142.2553 169.0661 556314.5028 -5.4730 -5.5826 PRESSURE: 3586800 78.8662 -135.743 95.5324 -135.742 197.318 -6.17784 95.5323 -6.17917 15.8198 GPRESSURE: 3586800 95.7978 -62.4921 110.915 -156.15 225.176 52.0541 50.1939 16.9764 65.5616 PRESSAVG: 3586800 16.8455 -21.7917 -18.4698 -21.7917 -56.0404 -11.1238 -18.4698 -11.1239 33.7035 GPRESSAVG: 3586800 18.0179 -19.6332 -20.166 -22.5691 -56.5645 -13.774 -18.9315 -8.76367 33.4939 TIMING: 3586800 CPU: 10394.7, 0.00286548/step Wall: 10394.7, 0.00286548/step, 1.12486 hours remaining, 211.382812 MB of memory in use. ENERGY: 3586800 740.2665 2142.2406 1926.9774 110.7242 -206223.1372 18037.7825 0.0000 0.0000 34276.9581 -148988.1880 299.3492 -183265.1461 -148893.0855 300.0326 97.3348 128.8453 558502.7544 -1.8305 -1.6842 PRESSURE: 3587000 -90.284 110.798 -64.1114 110.798 39.4052 223.404 -64.1108 223.403 72.8865 GPRESSURE: 3587000 -68.5015 40.1028 -20.715 177.526 103.782 141.056 70.318 252.901 86.2978 PRESSAVG: 3587000 -11.8317 43.2612 -22.7625 43.2612 -43.437 30.1391 -22.7625 30.1391 -7.93149 GPRESSAVG: 3587000 -12.2983 42.082 -21.1868 42.8584 -42.2439 31.5939 -22.8125 27.9782 -8.47709 TIMING: 3587000 CPU: 10395.3, 0.00286602/step Wall: 10395.3, 0.00286602/step, 1.12491 hours remaining, 211.382812 MB of memory in use. ENERGY: 3587000 739.1173 2140.2971 1950.5348 105.8452 -205956.5981 17750.3847 0.0000 0.0000 34367.2636 -148903.1555 300.1379 -183270.4190 -148806.0782 299.0706 7.3359 40.5261 558658.3745 -21.0667 -21.0064 PRESSURE: 3587200 -194.846 -200.849 -128.126 -200.849 -18.5656 38.5776 -128.126 38.5775 19.4997 GPRESSURE: 3587200 -177.737 -161.071 -153.107 -203.071 78.9182 24.7102 -131.203 26.9936 -2.93442 PRESSAVG: 3587200 -6.81933 -35.5428 24.8799 -35.5427 -22.3637 55.6936 24.8799 55.6935 23.1064 GPRESSAVG: 3587200 -7.72218 -34.2477 22.7511 -37.0674 -21.1945 57.0153 26.0701 56.5807 23.2499 TIMING: 3587200 CPU: 10395.8, 0.0028524/step Wall: 10395.8, 0.0028524/step, 1.11941 hours remaining, 211.382812 MB of memory in use. ENERGY: 3587200 694.5389 2111.8919 1925.9158 130.4944 -205632.1790 17605.5581 0.0000 0.0000 34272.7821 -148890.9977 299.3127 -183163.7799 -148797.4198 299.8362 -64.6372 -33.9179 556806.8482 -2.0255 -1.8889 PRESSURE: 3587400 -72.1274 21.5478 -40.3379 21.5488 11.2386 -119.595 -40.3384 -119.595 -26.8041 GPRESSURE: 3587400 -83.2649 9.26915 -74.7929 -2.65727 84.1827 -98.8963 -38.8753 -91.0296 10.0917 PRESSAVG: 3587400 -13.6456 11.7713 -62.6258 11.7713 55.6969 37.5961 -62.6257 37.5961 -11.1354 GPRESSAVG: 3587400 -13.0561 12.7865 -61.562 11.3526 55.1067 37.3645 -64.3245 36.0986 -10.6761 TIMING: 3587400 CPU: 10396.4, 0.00287719/step Wall: 10396.4, 0.00287719/step, 1.12898 hours remaining, 211.382812 MB of memory in use. ENERGY: 3587400 742.8613 2067.9801 1937.3754 107.3680 -205739.9502 17791.2827 0.0000 0.0000 34441.1081 -148651.9746 300.7828 -183093.0827 -148554.2387 300.3635 -29.2310 3.6698 558492.1589 10.3053 10.4582 PRESSURE: 3587600 -239.199 96.7356 -41.3004 96.7362 -70.3991 76.669 -41.3002 76.6702 -230.297 GPRESSURE: 3587600 -200.056 113.359 -29.3593 62.7281 -21.996 13.3398 17.0137 71.9736 -221.062 PRESSAVG: 3587600 -57.3473 12.4533 -48.9092 12.4533 61.4385 26.0753 -48.9093 26.0755 0.431549 GPRESSAVG: 3587600 -58.9629 11.473 -47.1602 14.092 61.5339 26.8774 -48.6379 26.045 1.5465 TIMING: 3587600 CPU: 10397, 0.00287247/step Wall: 10397, 0.00287247/step, 1.12696 hours remaining, 211.382812 MB of memory in use. ENERGY: 3587600 711.4936 2100.9174 1943.6660 120.6441 -205393.6352 17367.6405 0.0000 0.0000 34468.2371 -148681.0364 301.0197 -183149.2735 -148591.3743 300.0680 -179.9651 -147.7047 559608.7765 1.5076 1.3725 PRESSURE: 3587800 -85.4283 151.707 299.244 151.708 77.1264 -16.3902 299.245 -16.391 -20.2781 GPRESSURE: 3587800 -46.0831 98.9533 276.487 120.063 120.344 59.0212 197.334 -63.1474 -9.06253 PRESSAVG: 3587800 -67.1554 33.2438 -4.90051 33.2438 24.3461 -33.37 -4.90051 -33.3701 54.1426 GPRESSAVG: 3587800 -66.6199 32.1746 -4.92037 32.328 24.322 -33.711 -3.88299 -32.1693 53.547 TIMING: 3587800 CPU: 10397.5, 0.00286938/step Wall: 10397.5, 0.00286938/step, 1.12559 hours remaining, 211.382812 MB of memory in use. ENERGY: 3587800 711.2840 2091.2103 1939.7729 107.9868 -206029.2427 17681.9685 0.0000 0.0000 34447.0182 -149050.0019 300.8344 -183497.0201 -148949.2817 300.3098 -9.5267 21.7329 559063.3164 3.7778 3.7497 PRESSURE: 3588000 97.8211 55.5618 -77.3909 55.5619 415.879 -52.9444 -77.3904 -52.9421 185.612 GPRESSURE: 3588000 163.091 58.6421 -54.5934 18.9224 425.241 -83.5983 -96.5389 -86.4554 220.788 PRESSAVG: 3588000 3.47994 -20.4005 -39.8897 -20.4005 36.9323 -24.1925 -39.8897 -24.1926 -21.5628 GPRESSAVG: 3588000 3.63093 -20.7325 -39.2371 -20.487 36.3816 -24.8895 -40.2159 -24.6382 -21.4064 TIMING: 3588000 CPU: 10398.1, 0.00285448/step Wall: 10398.1, 0.00285448/step, 1.11959 hours remaining, 211.382812 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: 3588000 738.6105 2129.3350 1960.4191 108.2355 -206384.0119 18156.9498 0.0000 0.0000 34310.4706 -148979.9912 299.6419 -183290.4618 -148888.9263 299.0767 233.1042 269.7067 558224.8265 6.2831 6.2020 PRESSURE: 3588200 169.055 -64.9141 -144.316 -64.9145 -62.2632 -29.7769 -144.316 -29.7776 -128.941 GPRESSURE: 3588200 192.339 -105.521 -181.448 -39.4928 14.5062 -82.9986 -145.884 -26.4919 -132.594 PRESSAVG: 3588200 -68.3653 -49.7311 2.86614 -49.7311 28.9797 -14.7767 2.8661 -14.7768 31.8758 GPRESSAVG: 3588200 -67.8641 -50.3796 1.54789 -49.1352 29.2066 -14.4043 1.14184 -15.0086 30.8819 TIMING: 3588200 CPU: 10398.7, 0.00287094/step Wall: 10398.7, 0.00287094/step, 1.12589 hours remaining, 211.394531 MB of memory in use. ENERGY: 3588200 747.0992 2092.2248 1947.9092 98.3388 -206256.2876 18033.0781 0.0000 0.0000 34214.3947 -149123.2427 298.8028 -183337.6374 -149020.3919 298.8521 -7.3831 24.7502 559109.0932 -2.5033 -2.5919 LDB: ============= START OF LOAD BALANCING ============== 10402.1 LDB: ============== END OF LOAD BALANCING =============== 10402.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10402.1 LDB: ============= START OF LOAD BALANCING ============== 10402.4 LDB: Largest compute 4792 load 0.027703 is 23.5% of average load 0.118021 LDB: Average compute 0.001720 is 1.5% of average load 0.118021 LDB: TIME 10402.4 LOAD: AVG 0.118021 MAX 0.179874 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.66 MB LDB: TIME 10402.4 LOAD: AVG 0.118021 MAX 0.179874 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.66 MB LDB: TIME 10402.4 LOAD: AVG 0.118021 MAX 0.179874 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.66 MB LDB: ============== END OF LOAD BALANCING =============== 10402.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10402.4 PRESSURE: 3588400 101.451 -25.1238 115.441 -25.124 115.804 -25.6914 115.441 -25.6923 -461.599 GPRESSURE: 3588400 113.065 -45.037 130.84 -10.3043 159.14 -26.751 231.71 -18.4189 -420.99 PRESSAVG: 3588400 -23.5289 31.7959 -18.8397 31.7959 37.3428 -8.02137 -18.8397 -8.02142 -32.6526 GPRESSAVG: 3588400 -24.2624 32.523 -16.9327 31.0645 37.1749 -8.78625 -19.6764 -8.82292 -31.5334 TIMING: 3588400 CPU: 10399.3, 0.00292572/step Wall: 10399.3, 0.00292573/step, 1.14721 hours remaining, 211.046875 MB of memory in use. ENERGY: 3588400 726.8331 2097.4588 1934.1638 110.1044 -206493.6465 18003.3142 0.0000 0.0000 34211.7141 -149410.0580 298.7794 -183621.7721 -149309.7522 298.8871 -81.4478 -49.5951 560243.3811 -6.2796 -6.2070 PRESSURE: 3588600 -235.07 69.2102 139.917 69.2099 38.7273 -39.6178 139.918 -39.6184 3.29526 GPRESSURE: 3588600 -181.941 26.7021 144.866 25.8514 76.0828 -130.133 156.203 -13.3145 -0.768674 PRESSAVG: 3588600 40.4289 34.1477 18.6447 34.1477 52.1976 -13.6614 18.6448 -13.6614 -52.8482 GPRESSAVG: 3588600 41.2783 34.0619 16.572 33.9485 51.8892 -13.8035 20.8309 -13.4449 -53.224 TIMING: 3588600 CPU: 10399.9, 0.00289789/step Wall: 10399.9, 0.00289789/step, 1.13613 hours remaining, 211.046875 MB of memory in use. ENERGY: 3588600 733.1625 2067.3966 1942.5060 120.0420 -206323.0222 17913.3861 0.0000 0.0000 34168.7501 -149377.7789 298.4042 -183546.5290 -149288.2517 299.0844 -64.3492 -35.5422 560068.4990 13.2594 13.3145 PRESSURE: 3588800 -109.799 118.385 216.138 118.383 -44.4804 139.561 216.139 139.562 -179.908 GPRESSURE: 3588800 -46.3132 91.4051 134.469 161.25 -84.2077 100.347 262.875 85.8599 -104.694 PRESSAVG: 3588800 -23.5025 -24.4117 22.8666 -24.4117 -16.1429 25.4687 22.8666 25.4688 6.21407 GPRESSAVG: 3588800 -22.9877 -23.9356 23.1066 -23.1367 -16.1842 24.8909 23.008 26.131 5.89164 TIMING: 3588800 CPU: 10400.4, 0.00290226/step Wall: 10400.4, 0.00290226/step, 1.13769 hours remaining, 211.046875 MB of memory in use. ENERGY: 3588800 748.9968 2037.9040 1933.3916 117.7795 -206305.8252 17869.8598 0.0000 0.0000 34162.0053 -149435.8882 298.3453 -183597.8934 -149348.2455 298.5417 -111.3956 -78.4050 559767.6824 -11.1438 -11.0934 PRESSURE: 3589000 205.32 -88.3211 0.096871 -88.3204 21.0802 11.6538 0.0975426 11.6529 286.947 GPRESSURE: 3589000 259.108 3.66724 -15.9648 -163.597 84.6551 88.5305 3.8487 23.1871 279.295 PRESSAVG: 3589000 39.478 16.5162 38.3872 16.5162 -25.2971 14.8904 38.3872 14.8905 17.1664 GPRESSAVG: 3589000 38.9347 17.6238 38.6039 14.7597 -25.2329 15.0333 35.9619 13.7538 17.6013 TIMING: 3589000 CPU: 10401, 0.0028752/step Wall: 10401, 0.0028752/step, 1.12692 hours remaining, 211.046875 MB of memory in use. ENERGY: 3589000 767.8569 2104.3467 1952.4777 123.5024 -206897.5319 18253.8225 0.0000 0.0000 34294.5824 -149400.9433 299.5031 -183695.5257 -149294.1148 298.0613 171.1156 207.6861 555758.4581 10.4491 10.4344 PRESSURE: 3589200 -56.706 -155.255 -203.451 -155.255 165.117 -8.91465 -203.452 -8.9149 145.307 GPRESSURE: 3589200 -64.638 -146.266 -197.853 -114.316 213.494 96.8994 -284.489 -28.6339 211.014 PRESSAVG: 3589200 -20.8076 9.39072 -12.4998 9.39064 14.4817 6.40108 -12.4999 6.40103 8.4128 GPRESSAVG: 3589200 -21.6505 8.11168 -12.8821 8.68166 15.4474 8.82816 -11.1808 5.99953 8.40849 TIMING: 3589200 CPU: 10401.6, 0.00287541/step Wall: 10401.6, 0.00287541/step, 1.12684 hours remaining, 211.046875 MB of memory in use. ENERGY: 3589200 722.0547 2046.6668 1955.0751 108.0582 -206536.4846 17985.2257 0.0000 0.0000 34353.0823 -149366.3219 300.0140 -183719.4041 -149281.2309 298.2117 84.5725 119.9567 556253.5591 0.6956 0.7351 PRESSURE: 3589400 91.6107 -17.5756 -34.4798 -17.5757 -215.726 18.6212 -34.4798 18.6215 -230.587 GPRESSURE: 3589400 137.415 18.5883 -58.3492 41.1204 -197.506 9.27781 69.5763 -23.6125 -201.968 PRESSAVG: 3589400 13.8233 -47.8561 -18.2243 -47.8561 -48.3813 -62.6364 -18.2243 -62.6365 68.3283 GPRESSAVG: 3589400 14.7685 -49.0101 -16.222 -45.8231 -48.1632 -64.3966 -18.9851 -61.4106 67.5842 TIMING: 3589400 CPU: 10402.2, 0.0028756/step Wall: 10402.2, 0.0028756/step, 1.12676 hours remaining, 211.046875 MB of memory in use. ENERGY: 3589400 750.7554 2082.4495 1920.8781 97.8005 -205630.6046 17380.3348 0.0000 0.0000 34191.2413 -149207.1451 298.6006 -183398.3863 -149102.8881 299.4342 -118.2341 -87.3532 555451.4808 11.2568 11.3965 PRESSURE: 3589600 86.2049 21.2228 -40.8444 21.2226 -204.325 94.4956 -40.8442 94.4946 91.7709 GPRESSURE: 3589600 181.087 -31.44 -54.6986 -44.3917 -185.568 48.5879 38.7655 183.095 95.1462 PRESSAVG: 3589600 14.9016 -19.8651 -15.1993 -19.8651 -24.3248 -16.8329 -15.1994 -16.833 9.41897 GPRESSAVG: 3589600 15.052 -20.875 -18.2115 -20.2257 -25.8121 -16.5211 -13.3399 -16.678 10.2151 TIMING: 3589600 CPU: 10402.7, 0.00288259/step Wall: 10402.7, 0.00288259/step, 1.12934 hours remaining, 211.046875 MB of memory in use. ENERGY: 3589600 775.9800 2131.5264 1953.7182 112.3118 -206347.5819 17950.9064 0.0000 0.0000 34321.3171 -149101.8220 299.7366 -183423.1391 -148999.0847 300.2406 -8.7830 30.2219 556481.3243 -0.0014 -0.1817 PRESSURE: 3589800 84.989 68.4598 -185.276 68.4605 85.6886 -33.8888 -185.275 -33.8895 -39.245 GPRESSURE: 3589800 79.9794 148.073 -235.556 61.8496 82.4872 -75.7546 -173.126 35.2308 57.1846 PRESSAVG: 3589800 -5.87478 -8.70322 -73.0251 -8.70336 65.1743 51.3718 -73.0252 51.3716 13.2907 GPRESSAVG: 3589800 -6.83324 -7.2082 -72.3976 -7.74156 66.1907 50.966 -74.5699 52.9029 13.461 TIMING: 3589800 CPU: 10403.3, 0.00286648/step Wall: 10403.3, 0.00286648/step, 1.12286 hours remaining, 211.046875 MB of memory in use. ENERGY: 3589800 748.4550 2143.5516 1975.0214 109.6376 -206305.6616 17986.2602 0.0000 0.0000 34313.6081 -149029.1277 299.6693 -183342.7358 -148929.8646 299.5856 43.8109 73.2171 558287.8660 24.1968 24.2728 PRESSURE: 3590000 51.9916 -47.0016 87.6381 -47.0033 4.33483 -200.203 87.6385 -200.205 -62.1349 GPRESSURE: 3590000 81.3035 -6.88818 49.2968 -64.3706 -10.9229 -223.565 116.044 -247.805 28.3025 PRESSAVG: 3590000 13.8808 -1.93417 -41.1681 -1.93415 -28.7013 -23.6159 -41.168 -23.6158 17.1292 GPRESSAVG: 3590000 13.3904 -0.887471 -40.5179 -4.24547 -29.1853 -22.7594 -40.8269 -25.8 18.4735 TIMING: 3590000 CPU: 10403.9, 0.00285407/step Wall: 10403.9, 0.00285407/step, 1.11785 hours remaining, 211.046875 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: 3590000 756.6654 2123.2761 1957.4629 119.7163 -206527.3948 17954.7919 0.0000 0.0000 34464.3756 -149151.1066 300.9860 -183615.4823 -149053.0405 299.6986 -1.9362 32.8944 557523.2924 0.7696 0.8929 PRESSURE: 3590200 120.795 -24.7561 90.8679 -24.7577 -232.367 -141.714 90.8677 -141.714 173.009 GPRESSURE: 3590200 130.924 -31.6483 76.4073 83.0781 -212.613 -122.621 112.59 -150.592 243.75 PRESSAVG: 3590200 -37.5199 39.0016 16.5807 39.0016 -21.1869 -28.7891 16.5808 -28.7892 36.068 GPRESSAVG: 3590200 -36.7409 39.8406 15.3586 40.2952 -21.0752 -28.3251 16.7066 -29.7439 34.595 TIMING: 3590200 CPU: 10404.5, 0.00287013/step Wall: 10404.5, 0.00287013/step, 1.12397 hours remaining, 211.046875 MB of memory in use. ENERGY: 3590200 727.0755 2108.1533 1952.3661 117.5057 -206348.0757 17883.6637 0.0000 0.0000 34414.0950 -149145.2163 300.5469 -183559.3113 -149051.5738 299.6812 20.4790 54.0202 558217.7760 -7.5463 -7.7404 PRESSURE: 3590400 333.978 -90.485 101.01 -90.4848 37.7 14.8972 101.011 14.8969 109.327 GPRESSURE: 3590400 320.364 -91.9942 133.519 -135.624 94.547 -80.7852 114.475 -25.4917 167.723 PRESSAVG: 3590400 66.4302 6.01487 27.8807 6.01487 -24.3483 -42.1247 27.8808 -42.1247 -21.1976 GPRESSAVG: 3590400 66.1453 4.62032 28.1429 7.14074 -25.2144 -42.1808 29.4719 -41.759 -19.9925 TIMING: 3590400 CPU: 10405, 0.00287234/step Wall: 10405, 0.00287234/step, 1.12468 hours remaining, 211.046875 MB of memory in use. ENERGY: 3590400 729.7674 2070.9057 1959.2045 108.7453 -206664.2255 18323.5004 0.0000 0.0000 34258.4948 -149213.6074 299.1880 -183472.1021 -149122.2926 299.6007 160.3351 194.2112 558476.2459 6.9614 6.9795 PRESSURE: 3590600 -103.171 -44.6523 138.996 -44.6519 -328.608 32.8614 138.995 32.861 39.0526 GPRESSURE: 3590600 -45.0732 -64.7189 145.059 -27.6561 -246.886 35.0475 180.458 43.2247 14.4733 PRESSAVG: 3590600 31.6244 30.7498 -27.3388 30.7498 -48.9697 -28.0383 -27.3388 -28.0383 3.12305 GPRESSAVG: 3590600 32.2506 32.2648 -25.6258 30.8817 -47.7924 -29.4255 -28.6379 -27.6977 0.901837 TIMING: 3590600 CPU: 10405.6, 0.00287962/step Wall: 10405.6, 0.00287962/step, 1.12737 hours remaining, 211.046875 MB of memory in use. ENERGY: 3590600 718.0283 2072.5930 1964.0976 111.2511 -205737.6886 17547.0289 0.0000 0.0000 34349.6933 -148974.9965 299.9844 -183324.6898 -148878.3119 299.3401 -130.9087 -92.4952 559018.5214 -4.7408 -4.8800 PRESSURE: 3590800 -182.925 -119.995 -47.1394 -119.995 -195.323 -73.958 -47.1403 -73.9567 -103.448 GPRESSURE: 3590800 -209.173 2.12906 -62.5718 -168.551 -139.63 24.3695 5.63025 -154.865 -22.9132 PRESSAVG: 3590800 -44.8114 31.1127 15.6525 31.1128 -7.54525 -3.46942 15.6527 -3.46938 73.058 GPRESSAVG: 3590800 -46.1684 31.2887 14.6888 27.6246 -8.56068 -3.83739 15.7912 -1.85912 75.1107 TIMING: 3590800 CPU: 10406.2, 0.00288456/step Wall: 10406.2, 0.00288456/step, 1.12915 hours remaining, 211.046875 MB of memory in use. ENERGY: 3590800 757.9273 2131.3291 1957.7777 109.6773 -206230.7136 17737.3817 0.0000 0.0000 34390.2366 -149146.3838 300.3385 -183536.6204 -149049.3056 299.7782 -160.5655 -123.9052 558211.1142 6.9004 6.7939 PRESSURE: 3591000 79.2167 -94.6053 118.728 -94.6058 115.737 -73.9291 118.727 -73.9299 36.6896 GPRESSURE: 3591000 87.1888 -90.7516 154.95 -173.17 128.224 -53.994 204.023 -100.272 107.641 PRESSAVG: 3591000 12.0101 -2.18515 -2.99717 -2.18513 -14.3375 -12.0613 -2.99709 -12.0612 19.4356 GPRESSAVG: 3591000 12.2457 -1.10766 -2.51034 -1.53275 -14.0257 -10.3156 -4.63406 -12.8008 18.823 TIMING: 3591000 CPU: 10406.8, 0.00287729/step Wall: 10406.8, 0.00287729/step, 1.12614 hours remaining, 211.046875 MB of memory in use. ENERGY: 3591000 756.9197 2112.4423 1952.7006 104.4789 -206184.7038 17827.0091 0.0000 0.0000 34224.0451 -149207.1081 298.8871 -183431.1532 -149115.8779 299.0202 77.2143 107.6848 558149.0221 5.7027 5.6810 PRESSURE: 3591200 -272.777 -19.0216 34.6719 -19.0202 2.96692 77.6984 34.6726 77.6978 -81.558 GPRESSURE: 3591200 -246.847 31.5528 32.8509 -51.1991 58.7867 37.7421 45.9236 45.283 -61.7767 PRESSAVG: 3591200 -4.2812 -66.4713 -11.4995 -66.4712 -23.9569 10.354 -11.4995 10.354 20.2331 GPRESSAVG: 3591200 -4.18779 -68.9559 -11.4527 -65.4349 -23.9024 10.2556 -10.619 10.812 20.5423 TIMING: 3591200 CPU: 10407.3, 0.00288655/step Wall: 10407.3, 0.00288655/step, 1.1296 hours remaining, 211.046875 MB of memory in use. ENERGY: 3591200 737.2240 2103.8313 1958.4756 115.6010 -206328.3595 17850.3877 0.0000 0.0000 34325.9955 -149236.8443 299.7775 -183562.8398 -149135.7264 299.6062 -117.1227 -83.2791 558268.9377 -2.6683 -2.5160 PRESSURE: 3591400 -1.6632 105.303 -6.4454 105.302 262.892 -78.4917 -6.4442 -78.4917 175.823 GPRESSURE: 3591400 70.0509 115.86 -68.3567 125.013 215.402 -69.3277 -16.3428 -60.6172 240.905 PRESSAVG: 3591400 31.5657 6.40276 -5.44541 6.40272 -32.0675 -13.0383 -5.4454 -13.0383 -7.94581 GPRESSAVG: 3591400 32.2998 7.74369 -6.64415 5.07431 -33.2142 -12.8125 -5.08933 -12.3884 -7.16561 TIMING: 3591400 CPU: 10407.9, 0.00289325/step Wall: 10407.9, 0.00289325/step, 1.13206 hours remaining, 211.046875 MB of memory in use. ENERGY: 3591400 753.5530 2045.6845 1950.4110 117.4309 -206355.5168 17971.8971 0.0000 0.0000 34399.6019 -149116.9383 300.4203 -183516.5402 -149019.6386 299.6710 145.6837 175.4525 557854.2348 -2.8159 -2.6933 PRESSURE: 3591600 117.273 -20.8014 -190.371 -20.8003 109.931 54.9493 -190.371 54.9488 197.54 GPRESSURE: 3591600 107.782 -11.231 -170.378 -51.1889 165.477 -47.0873 -176.695 96.634 256.305 PRESSAVG: 3591600 -11.1965 10.6577 1.17609 10.6576 -42.8754 -1.18021 1.17617 -1.1803 6.41561 GPRESSAVG: 3591600 -12.4476 8.66952 3.5587 13.0445 -43.0504 -4.08257 1.3046 -2.60224 7.81563 TIMING: 3591600 CPU: 10408.5, 0.00284987/step Wall: 10408.5, 0.00284987/step, 1.11493 hours remaining, 211.046875 MB of memory in use. ENERGY: 3591600 732.4358 2071.4179 1953.5259 103.0246 -206353.6171 18142.2250 0.0000 0.0000 34170.0041 -149180.9838 298.4151 -183350.9880 -149073.1374 298.9354 141.5815 176.5213 556520.0125 -15.8854 -15.8941 PRESSURE: 3591800 -41.0775 -47.1524 56.1773 -47.1531 -29.6588 -69.5706 56.1766 -69.5696 -352.845 GPRESSURE: 3591800 -9.07778 -34.0969 61.1357 0.0616064 -26.9745 31.3999 113.989 -189.602 -289.604 PRESSAVG: 3591800 42.2857 4.56956 12.0424 4.56956 -66.4775 19.9751 12.0424 19.9753 -6.84207 GPRESSAVG: 3591800 42.8916 6.09992 10.4107 4.13528 -66.2309 22.8402 10.6991 20.4688 -8.13621 TIMING: 3591800 CPU: 10409.1, 0.00286488/step Wall: 10409.1, 0.00286488/step, 1.12064 hours remaining, 211.046875 MB of memory in use. ENERGY: 3591800 730.4331 2073.2431 1953.6311 110.5637 -205857.1869 17560.8646 0.0000 0.0000 34191.5070 -149236.9442 298.6029 -183428.4512 -149147.4323 298.4913 -141.1939 -108.5520 558316.2468 -10.3446 -10.4918 PRESSURE: 3592000 42.0837 -89.9951 -40.0017 -89.9961 -0.0610268 -58.7311 -40.0007 -58.7301 74.2838 GPRESSURE: 3592000 63.4146 -121.38 -64.8992 -90.5392 34.1553 -131.594 23.3711 -116.039 119.113 PRESSAVG: 3592000 26.3809 -22.9098 80.5513 -22.9098 -46.8705 36.483 80.5512 36.4829 27.5697 GPRESSAVG: 3592000 26.0151 -23.5601 80.2246 -22.0344 -46.6925 33.8643 81.0804 36.0917 27.7326 TIMING: 3592000 CPU: 10409.6, 0.00286574/step Wall: 10409.6, 0.00286574/step, 1.12082 hours remaining, 211.046875 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: 3592000 770.1053 2112.9246 1962.3746 128.4103 -206444.0169 17990.8313 0.0000 0.0000 34363.3340 -149116.0369 300.1035 -183479.3709 -149019.5010 299.3367 38.7688 72.2276 557741.9320 2.3601 2.3517 PRESSURE: 3592200 -113.618 -29.7997 -1.19533 -29.8002 -132.277 123.285 -1.19349 123.286 72.6171 GPRESSURE: 3592200 -65.8064 58.2674 35.1148 -43.868 -127.05 140.347 6.71132 107.83 116.364 PRESSAVG: 3592200 16.8134 23.8705 -0.485681 23.8704 -38.5179 6.03547 -0.485639 6.03541 53.9671 GPRESSAVG: 3592200 17.2347 20.9116 -0.495228 24.8467 -38.2941 8.43025 -0.607436 7.47552 53.8088 TIMING: 3592200 CPU: 10410.2, 0.00285842/step Wall: 10410.2, 0.00285842/step, 1.1178 hours remaining, 211.046875 MB of memory in use. ENERGY: 3592200 718.8483 2078.1459 1940.1592 103.6012 -206188.0343 17898.7272 0.0000 0.0000 34212.3203 -149236.2323 298.7847 -183448.5526 -149138.2836 299.3887 -57.7592 -25.4974 558484.3425 10.7542 10.9165 LDB: ============= START OF LOAD BALANCING ============== 10413.6 LDB: ============== END OF LOAD BALANCING =============== 10413.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10413.6 LDB: ============= START OF LOAD BALANCING ============== 10413.9 LDB: Largest compute 4792 load 0.028195 is 23.9% of average load 0.117982 LDB: Average compute 0.001726 is 1.5% of average load 0.117982 LDB: TIME 10413.9 LOAD: AVG 0.117982 MAX 0.178582 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.668 MB LDB: TIME 10413.9 LOAD: AVG 0.117982 MAX 0.178582 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.738 MB LDB: TIME 10413.9 LOAD: AVG 0.117982 MAX 0.178582 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.738 MB LDB: ============== END OF LOAD BALANCING =============== 10413.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10413.9 PRESSURE: 3592400 -178.263 129.812 -53.5734 129.811 -162.142 17.4068 -53.5729 17.407 -318.02 GPRESSURE: 3592400 -113.854 155.76 -106.052 84.5397 -150.226 50.8279 -52.8088 67.8355 -300.73 PRESSAVG: 3592400 23.1488 31.118 5.81829 31.118 -44.2052 18.5684 5.81827 18.5685 13.7876 GPRESSAVG: 3592400 24.201 32.4692 6.52222 30.4872 -44.7986 19.1659 6.6652 17.5642 13.7073 TIMING: 3592400 CPU: 10410.8, 0.00293489/step Wall: 10410.8, 0.00293489/step, 1.14754 hours remaining, 212.777344 MB of memory in use. ENERGY: 3592400 741.6385 2065.5108 1960.6048 117.6575 -205684.6865 17354.1408 0.0000 0.0000 34218.9706 -149226.1634 298.8428 -183445.1340 -149120.5082 299.6615 -219.4752 -188.2699 558969.5431 -2.4229 -2.2968 PRESSURE: 3592600 -99.9056 -69.3133 126.117 -69.3135 -97.459 58.7968 126.118 58.7968 219.079 GPRESSURE: 3592600 -100.961 -65.0452 171.408 12.4157 -14.2973 -15.851 55.7047 67.7947 220.54 PRESSAVG: 3592600 0.531029 -7.46682 -10.7918 -7.46687 -52.6061 -5.40542 -10.7917 -5.4054 67.9461 GPRESSAVG: 3592600 0.15542 -6.51403 -10.2126 -6.38492 -52.484 -5.31909 -12.805 -5.82977 67.6822 TIMING: 3592600 CPU: 10411.4, 0.00290873/step Wall: 10411.4, 0.00290873/step, 1.13715 hours remaining, 212.976562 MB of memory in use. ENERGY: 3592600 781.1102 2088.8585 1987.0597 99.8783 -206030.0050 17820.6333 0.0000 0.0000 34068.6857 -149183.7793 297.5303 -183252.4650 -149096.8338 299.0105 7.2381 35.0940 559437.7947 5.2903 5.1179 PRESSURE: 3592800 131.6 -71.3535 14.1465 -71.3539 63.0335 44.0479 14.1467 44.0462 122.103 GPRESSURE: 3592800 169.395 -84.1718 -2.75506 -37.7667 80.5435 3.39735 4.1468 81.8074 175.781 PRESSAVG: 3592800 22.0863 -19.8449 -1.96689 -19.8448 -67.9522 12.8705 -1.96697 12.8705 71.6712 GPRESSAVG: 3592800 22.0338 -19.2259 -2.23245 -21.7158 -67.3848 13.2059 -1.33615 13.9088 71.3375 TIMING: 3592800 CPU: 10412, 0.00289922/step Wall: 10412, 0.00289922/step, 1.13327 hours remaining, 212.976562 MB of memory in use. ENERGY: 3592800 749.3667 2063.2160 1983.0760 122.5585 -206203.6815 18007.0954 0.0000 0.0000 34067.7801 -149210.5887 297.5224 -183278.3688 -149118.5111 298.9782 105.5790 141.9065 557837.3271 8.6018 8.6622 PRESSURE: 3593000 -273.239 147.686 60.378 147.687 -81.3337 210.613 60.3794 210.613 -197.243 GPRESSURE: 3593000 -224.737 35.7027 88.5601 206.153 -35.3332 203.479 71.447 278.709 -184.835 PRESSAVG: 3593000 88.7496 5.3292 46.8974 5.32925 -23.7033 -20.684 46.8974 -20.6842 -53.5266 GPRESSAVG: 3593000 89.4962 5.88406 47.1537 5.2085 -23.9511 -23.6252 48.4877 -20.8699 -53.7358 TIMING: 3593000 CPU: 10412.5, 0.00289676/step Wall: 10412.5, 0.00289676/step, 1.13215 hours remaining, 212.976562 MB of memory in use. ENERGY: 3593000 755.9933 2036.4889 1945.7754 110.4352 -205649.6504 17492.1003 0.0000 0.0000 34208.8464 -149100.0109 298.7544 -183308.8573 -149007.7752 299.2059 -183.9385 -148.3015 558525.3427 3.8399 3.9364 PRESSURE: 3593200 156.301 64.1166 -60.7223 64.1166 213.187 270.61 -60.7216 270.61 -60.2612 GPRESSURE: 3593200 152.073 71.499 -57.573 75.4534 277.366 329.479 -58.6686 302.436 -21.4343 PRESSAVG: 3593200 16.9129 55.7952 22.6885 55.7952 31.6687 12.98 22.6884 12.98 -58.804 GPRESSAVG: 3593200 16.9413 54.0715 21.9029 55.0705 30.7917 13.8819 22.2911 12.3241 -57.985 TIMING: 3593200 CPU: 10413.1, 0.00286888/step Wall: 10413.1, 0.00286888/step, 1.12109 hours remaining, 213.046875 MB of memory in use. ENERGY: 3593200 756.3300 2104.1442 1952.9504 112.4344 -206152.4733 17932.2436 0.0000 0.0000 34245.9251 -149048.4455 299.0782 -183294.3707 -148956.9996 299.7551 103.0757 136.0013 558184.6367 -3.4075 -3.4173 PRESSURE: 3593400 44.2749 -200.604 -241.321 -200.604 5.84973 26.8725 -241.322 26.8709 43.7751 GPRESSURE: 3593400 103.017 -158.374 -176.321 -147.219 41.7091 -20.2635 -185.521 100.195 55.408 PRESSAVG: 3593400 -3.41192 24.306 28.2181 24.306 10.6905 49.7054 28.2179 49.7052 -1.18072 GPRESSAVG: 3593400 -5.18671 26.2577 27.2214 23.5968 11.481 49.9843 28.2618 52.1646 -0.399811 TIMING: 3593400 CPU: 10413.7, 0.00289347/step Wall: 10413.7, 0.00289347/step, 1.13054 hours remaining, 213.046875 MB of memory in use. ENERGY: 3593400 716.8495 2059.4801 1948.7586 120.3163 -206371.0602 17978.8484 0.0000 0.0000 34377.3536 -149169.4537 300.2260 -183546.8073 -149072.2676 299.7462 31.2999 66.7114 556905.4811 2.0326 1.9648 PRESSURE: 3593600 121.856 -74.6069 -48.2388 -74.6064 22.9732 -14.24 -48.2388 -14.2396 -32.8595 GPRESSURE: 3593600 147.785 -66.2695 -8.34008 -26.8177 72.2601 -49.2553 -66.6338 -6.81334 -24.3749 PRESSAVG: 3593600 35.0701 -69.6333 -23.9818 -69.6333 30.0047 10.1899 -23.9817 10.19 -108.783 GPRESSAVG: 3593600 35.4567 -71.6506 -22.8733 -66.8988 31.1404 10.3073 -24.4837 9.46042 -109.489 TIMING: 3593600 CPU: 10414.3, 0.00288128/step Wall: 10414.3, 0.00288128/step, 1.12562 hours remaining, 213.046875 MB of memory in use. ENERGY: 3593600 702.1633 2123.9863 1966.1691 111.7747 -205833.4865 17612.5749 0.0000 0.0000 34115.4259 -149201.3923 297.9385 -183316.8182 -149100.8968 298.7807 37.3234 65.2233 556776.9525 -14.5695 -14.2972 PRESSURE: 3593800 -169.024 46.856 -58.1486 46.8561 128.912 3.13315 -58.1489 3.13291 96.6454 GPRESSURE: 3593800 -115.845 171.281 -53.695 9.59156 124.727 4.05028 -40.7658 -7.53775 150.119 PRESSAVG: 3593800 41.8296 -15.0896 0.702301 -15.0895 -57.6251 8.51354 0.70232 8.51356 32.2004 GPRESSAVG: 3593800 42.5197 -12.2458 -1.25151 -16.1799 -59.0466 8.85094 -0.771568 6.75731 33.0745 TIMING: 3593800 CPU: 10414.8, 0.0028738/step Wall: 10414.8, 0.0028738/step, 1.12254 hours remaining, 213.046875 MB of memory in use. ENERGY: 3593800 760.5259 2065.3162 1944.5970 101.5926 -206182.4802 17745.2071 0.0000 0.0000 34392.0939 -149173.1475 300.3547 -183565.2414 -149079.8336 299.5865 18.8444 53.0004 556079.4494 5.4683 5.5159 PRESSURE: 3594000 169.02 316.518 57.0215 316.517 -28.0686 63.9941 57.0226 63.9932 141.62 GPRESSURE: 3594000 268.507 257.425 31.6698 286.246 -57.2826 -35.1263 -0.875061 117.2 171.325 PRESSAVG: 3594000 -38.2813 36.906 -10.3151 36.9061 -10.7018 24.9315 -10.3151 24.9314 7.79304 GPRESSAVG: 3594000 -37.4002 35.1835 -10.1799 36.7102 -10.4148 25.8511 -7.94843 24.9538 6.59285 TIMING: 3594000 CPU: 10415.4, 0.00286501/step Wall: 10415.4, 0.00286501/step, 1.11894 hours remaining, 213.046875 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: 3594000 752.0727 2061.7069 1937.4690 120.5686 -206293.1167 18012.0848 0.0000 0.0000 34152.0813 -149257.1334 298.2586 -183409.2147 -149168.2113 299.1681 94.1906 127.5162 557300.3940 -13.7301 -13.7407 PRESSURE: 3594200 80.7648 -96.0352 -28.3786 -96.0353 328.365 3.488 -28.3783 3.48941 -201.062 GPRESSURE: 3594200 160.868 -107.139 -7.30625 -66.553 316.954 19.9544 -28.2879 95.0488 -162.538 PRESSAVG: 3594200 -19.0591 17.6005 11.7602 17.6004 73.3442 22.9568 11.7602 22.9568 -21.3467 GPRESSAVG: 3594200 -18.6772 19.1335 12.2891 16.9584 74.1296 21.4848 11.899 24.1547 -21.86 TIMING: 3594200 CPU: 10416, 0.00285868/step Wall: 10416, 0.00285868/step, 1.11631 hours remaining, 213.046875 MB of memory in use. ENERGY: 3594200 731.2881 2085.7331 1997.7733 107.5698 -206677.8034 18014.3291 0.0000 0.0000 34325.1161 -149415.9939 299.7698 -183741.1100 -149316.5397 299.3208 69.3559 105.0946 555561.7939 10.9795 11.1974 PRESSURE: 3594400 -326.053 -81.539 201.533 -81.5393 -257.739 -146.907 201.533 -146.906 -519.143 GPRESSURE: 3594400 -284.745 -85.2693 126.989 -61.2818 -292.968 -125.512 224.902 -76.6064 -428.622 PRESSAVG: 3594400 5.0246 -45.5662 -0.675403 -45.5661 -2.07253 37.2465 -0.675377 37.2466 6.4192 GPRESSAVG: 3594400 5.04382 -47.8753 -0.168236 -43.7254 -3.02034 38.2297 -3.16539 35.1638 7.27807 TIMING: 3594400 CPU: 10416.6, 0.00287089/step Wall: 10416.6, 0.00287089/step, 1.12092 hours remaining, 213.046875 MB of memory in use. ENERGY: 3594400 776.2361 2110.3941 1956.7838 108.1717 -205753.8465 17313.4104 0.0000 0.0000 34033.7708 -149455.0795 297.2254 -183488.8503 -149353.0383 298.7635 -367.6450 -335.4449 556232.2891 3.1238 3.1005 PRESSURE: 3594600 230.945 -2.79945 104.769 -2.79931 224.596 6.92783 104.769 6.92866 247.608 GPRESSURE: 3594600 262.908 -37.5921 60.5661 -8.50765 265.287 23.7104 89.4555 -25.9467 273.879 PRESSAVG: 3594600 45.5283 -34.0692 2.54794 -34.0692 -4.56673 17.5265 2.54792 17.5266 -51.4496 GPRESSAVG: 3594600 44.7544 -35.2994 3.05875 -33.5864 -3.88408 15.2696 4.31075 19.332 -51.3871 TIMING: 3594600 CPU: 10417.1, 0.00287118/step Wall: 10417.1, 0.00287118/step, 1.12087 hours remaining, 213.046875 MB of memory in use. ENERGY: 3594600 718.2777 2092.4778 1956.5199 107.6823 -206779.3963 18213.7659 0.0000 0.0000 34293.1650 -149397.5076 299.4907 -183690.6726 -149299.5155 298.4893 234.3826 267.3581 557132.1168 -3.4960 -3.5056 PRESSURE: 3594800 -44.2547 -54.158 -87.005 -54.158 47.9614 20.5598 -87.0061 20.5602 -211.619 GPRESSURE: 3594800 2.7289 -110.588 -122.743 -62.6919 53.397 93.9564 -40.2108 17.2501 -167.234 PRESSAVG: 3594800 7.425 -68.9133 -35.2268 -68.9133 -44.6454 31.0907 -35.2268 31.0908 12.7488 GPRESSAVG: 3594800 6.66074 -68.404 -35.0949 -69.0255 -43.7261 33.7658 -34.1512 29.108 11.7728 TIMING: 3594800 CPU: 10417.7, 0.00285721/step Wall: 10417.7, 0.00285721/step, 1.11526 hours remaining, 213.046875 MB of memory in use. ENERGY: 3594800 786.2645 2081.7047 1943.4140 111.9284 -206013.0783 17740.7281 0.0000 0.0000 34109.6123 -149239.4263 297.8877 -183349.0385 -149139.1738 299.4752 -69.3041 -37.0361 557143.2785 -8.1572 -8.4309 PRESSURE: 3595000 113.823 18.7648 91.1063 18.7631 -251.798 43.1321 91.1056 43.1325 21.0133 GPRESSURE: 3595000 100.241 0.798475 107.907 -1.21772 -210.95 66.2982 126.835 15.8601 98.3313 PRESSAVG: 3595000 20.3005 -6.45491 -61.0494 -6.45484 -19.4387 67.9691 -61.0495 67.9693 15.5793 GPRESSAVG: 3595000 19.5659 -5.84171 -60.9948 -7.54298 -20.7492 65.1765 -61.5256 70.6412 17.7869 TIMING: 3595000 CPU: 10418.3, 0.00287559/step Wall: 10418.3, 0.00287559/step, 1.12228 hours remaining, 213.046875 MB of memory in use. ENERGY: 3595000 777.4549 2162.2999 1943.0069 132.0815 -206388.2637 17895.7029 0.0000 0.0000 34265.8320 -149211.8856 299.2520 -183477.7176 -149113.3011 299.2825 -38.9871 -4.1257 559150.8037 5.4804 5.5345 PRESSURE: 3595200 -191.475 -36.8147 41.7131 -36.8134 72.1388 -20.4792 41.7131 -20.4773 -193.841 GPRESSURE: 3595200 -186.262 -110.212 70.7552 15.7795 79.7789 87.739 -38.9728 -52.6957 -109.06 PRESSAVG: 3595200 41.2066 39.5437 2.54344 39.5438 45.0873 16.4195 2.5435 16.4194 -35.4712 GPRESSAVG: 3595200 41.641 39.4566 2.22871 39.1065 46.0468 17.6911 0.476832 15.7365 -36.6065 TIMING: 3595200 CPU: 10418.8, 0.0028641/step Wall: 10418.8, 0.0028641/step, 1.11764 hours remaining, 213.046875 MB of memory in use. ENERGY: 3595200 744.4974 2116.8267 1947.9888 121.1897 -206444.7320 17881.7628 0.0000 0.0000 34351.1559 -149281.3107 299.9972 -183632.4666 -149185.3449 299.4203 -104.3924 -71.8478 559474.7530 16.9409 17.0271 PRESSURE: 3595400 54.4837 -108.107 232.776 -108.107 158.368 23.0882 232.775 23.0895 -68.643 GPRESSURE: 3595400 99.8714 -177.928 113.867 -97.5207 218.298 152.912 215.375 4.42342 -82.0376 PRESSAVG: 3595400 9.51292 -16.4879 -27.7394 -16.4879 -21.3605 39.9412 -27.7395 39.9412 17.4184 GPRESSAVG: 3595400 10.2933 -15.5971 -30.2453 -16.104 -21.5157 38.712 -25.0589 39.0855 16.574 TIMING: 3595400 CPU: 10419.4, 0.00285988/step Wall: 10419.4, 0.00285988/step, 1.11583 hours remaining, 213.046875 MB of memory in use. ENERGY: 3595400 761.2160 2145.0976 1954.2850 110.2800 -206597.6095 17960.5841 0.0000 0.0000 34182.0272 -149484.1196 298.5201 -183666.1468 -149389.6359 299.5271 48.0695 78.7107 555485.9537 1.8570 1.7838 PRESSURE: 3595600 -27.754 44.1777 132.143 44.1779 -87.649 123.487 132.142 123.486 -15.2125 GPRESSURE: 3595600 -44.3734 37.0098 149.059 60.0537 -28.7784 46.7908 98.2512 129.447 40.5988 PRESSAVG: 3595600 -33.154 -2.29957 30.3432 -2.29962 41.9174 44.1499 30.3431 44.15 20.5094 GPRESSAVG: 3595600 -34.1074 -4.81324 32.6596 -1.68622 41.4461 46.0275 29.4669 43.9151 22.3679 TIMING: 3595600 CPU: 10420, 0.0028631/step Wall: 10420, 0.0028631/step, 1.11693 hours remaining, 213.046875 MB of memory in use. ENERGY: 3595600 720.2450 2081.5303 1980.4033 109.2878 -206411.4992 17728.8121 0.0000 0.0000 34237.0773 -149554.1434 299.0009 -183791.2207 -149469.9571 299.0904 -43.5385 -10.8510 557108.1820 9.7576 9.9022 PRESSURE: 3595800 -92.2285 -25.1187 -48.6374 -25.1181 -124.477 -34.996 -48.6382 -34.9967 -225.058 GPRESSURE: 3595800 -60.3941 43.9175 -67.0481 -39.8883 -119.874 -63.6199 -34.1706 -19.6958 -176.043 PRESSAVG: 3595800 5.14938 -16.3015 20.7261 -16.3015 -49.3817 7.32656 20.7261 7.32656 38.1051 GPRESSAVG: 3595800 6.32928 -16.3548 20.5474 -16.2515 -49.0545 4.00009 19.2181 8.46194 37.2915 TIMING: 3595800 CPU: 10420.6, 0.0028551/step Wall: 10420.6, 0.0028551/step, 1.11365 hours remaining, 213.046875 MB of memory in use. ENERGY: 3595800 781.1830 2094.8971 1952.3961 109.3805 -206473.3611 17801.8490 0.0000 0.0000 34335.9586 -149397.6968 299.8645 -183733.6554 -149292.6823 299.1803 -147.2546 -118.7706 557737.4404 -2.0424 -1.8112 PRESSURE: 3596000 78.5504 152.624 -55.5525 152.626 40.6081 20.4802 -55.5532 20.4796 -152.772 GPRESSURE: 3596000 109.305 167.386 -26.5919 171.85 81.6841 44.1377 -155.221 19.3082 -126.299 PRESSAVG: 3596000 63.8035 22.2708 -42.0107 22.2708 18.1507 -44.5193 -42.0106 -44.5192 -77.9638 GPRESSAVG: 3596000 64.084 23.8275 -42.4895 21.2757 18.5692 -40.8855 -41.7685 -46.4385 -78.2291 TIMING: 3596000 CPU: 10421.1, 0.00285167/step Wall: 10421.1, 0.00285167/step, 1.11215 hours remaining, 213.046875 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: 3596000 738.2677 2141.6908 1946.8280 111.3499 -206367.3213 17825.9931 0.0000 0.0000 34251.2807 -149351.9110 299.1250 -183603.1917 -149251.2383 299.3263 -11.2046 21.5635 557741.2346 1.3302 1.4747 PRESSURE: 3596200 -106.306 141.61 -11.0237 141.61 137.179 115.833 -11.0229 115.832 114.53 GPRESSURE: 3596200 -77.0839 92.4845 40.8301 148.511 196.592 123.416 46.6242 141.32 113.325 PRESSAVG: 3596200 7.86224 -44.4277 46.8375 -44.4277 -37.3943 20.1937 46.8376 20.1937 -41.1023 GPRESSAVG: 3596200 7.13212 -45.6823 48.2062 -43.8416 -37.1537 18.6538 48.3394 22.2748 -40.3564 TIMING: 3596200 CPU: 10421.7, 0.00287975/step Wall: 10421.7, 0.00287975/step, 1.12294 hours remaining, 213.046875 MB of memory in use. ENERGY: 3596200 750.4383 2087.3308 1949.1181 106.1372 -206726.3775 18015.1758 0.0000 0.0000 34595.6223 -149222.5550 302.1322 -183818.1773 -149135.8571 299.1350 48.4674 77.6109 557233.6086 -23.5448 -23.4593 LDB: ============= START OF LOAD BALANCING ============== 10425.1 LDB: ============== END OF LOAD BALANCING =============== 10425.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10425.1 LDB: ============= START OF LOAD BALANCING ============== 10425.4 LDB: Largest compute 4792 load 0.028417 is 24.1% of average load 0.117977 LDB: Average compute 0.001736 is 1.5% of average load 0.117977 LDB: TIME 10425.4 LOAD: AVG 0.117977 MAX 0.177031 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.102 MB LDB: TIME 10425.4 LOAD: AVG 0.117977 MAX 0.177031 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.102 MB LDB: TIME 10425.4 LOAD: AVG 0.117977 MAX 0.177031 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10425.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10425.4 PRESSURE: 3596400 -66.8131 -107.285 -145.417 -107.284 -260.424 47.395 -145.417 47.3955 -97.8043 GPRESSURE: 3596400 -52.824 -141.894 -105.443 -127.837 -226.577 47.5931 -168.783 15.9662 -62.1888 PRESSAVG: 3596400 4.38759 -88.9974 -27.2606 -88.9974 24.0948 11.3595 -27.2605 11.3595 44.41 GPRESSAVG: 3596400 6.52472 -87.2299 -28.1656 -88.5708 23.0504 8.94676 -28.0499 12.1354 43.5643 TIMING: 3596400 CPU: 10422.3, 0.00292706/step Wall: 10422.3, 0.00292706/step, 1.14123 hours remaining, 210.324219 MB of memory in use. ENERGY: 3596400 762.5929 2108.5574 1969.3383 126.4675 -206228.1157 17771.2134 0.0000 0.0000 34354.2355 -149135.7107 300.0241 -183489.9462 -149034.2597 299.6293 -141.6806 -113.8633 558568.2125 24.2975 24.3798 PRESSURE: 3596600 34.8843 -12.878 42.4185 -12.8787 -126.486 -133.758 42.418 -133.757 -172.105 GPRESSURE: 3596600 78.0491 2.14965 117.027 -48.0252 -105.56 -203.781 37.9749 -119.407 -140.178 PRESSAVG: 3596600 36.5833 -9.31877 13.4212 -9.3188 -7.69313 -44.6015 13.4212 -44.6015 -30.8644 GPRESSAVG: 3596600 34.5766 -10.5102 12.3518 -9.80024 -7.28762 -40.8938 12.4139 -47.2736 -29.1815 TIMING: 3596600 CPU: 10422.9, 0.00287687/step Wall: 10422.9, 0.00287687/step, 1.1215 hours remaining, 210.324219 MB of memory in use. ENERGY: 3596600 753.3280 2131.4355 1947.2424 114.3028 -206380.3063 17845.9534 0.0000 0.0000 34272.1253 -149315.9189 299.3070 -183588.0442 -149217.3788 299.8137 -87.9020 -55.8961 558101.2932 -0.6581 -0.6308 PRESSURE: 3596800 127.326 -152.45 75.9995 -152.451 -269.872 70.3624 76.0005 70.363 170.188 GPRESSURE: 3596800 141.754 -133.192 5.79527 -104.146 -152.96 14.2974 82.04 121.219 143.373 PRESSAVG: 3596800 51.9094 -11.2701 -46.6445 -11.2701 -26.0797 -20.9651 -46.6445 -20.965 -28.8998 GPRESSAVG: 3596800 51.8286 -12.0397 -46.1003 -10.3913 -24.9878 -23.7484 -45.09 -18.3392 -30.2188 TIMING: 3596800 CPU: 10423.4, 0.00286113/step Wall: 10423.4, 0.00286113/step, 1.1152 hours remaining, 210.324219 MB of memory in use. ENERGY: 3596800 753.1836 2111.3808 1962.4659 110.9329 -206542.3027 17917.4993 0.0000 0.0000 34370.8368 -149316.0033 300.1691 -183686.8401 -149218.6863 299.2069 9.2138 44.0555 557055.1191 -1.0234 -1.1260 PRESSURE: 3597000 -101.425 -234.784 -37.3302 -234.783 -25.5476 145.014 -37.3293 145.014 68.1768 GPRESSURE: 3597000 1.16441 -256.669 2.60669 -158.68 -37.2363 122.859 -39.8575 169.961 88.3552 PRESSAVG: 3597000 19.2246 -22.8016 -25.0967 -22.8016 3.36769 2.60835 -25.0967 2.60845 22.5604 GPRESSAVG: 3597000 21.0658 -22.2748 -24.5543 -23.7566 3.43345 4.75198 -26.2697 1.99093 21.3239 TIMING: 3597000 CPU: 10424, 0.00287498/step Wall: 10424, 0.00287498/step, 1.12045 hours remaining, 210.324219 MB of memory in use. ENERGY: 3597000 783.9006 2101.3669 1959.0336 120.3835 -206450.7430 17865.2592 0.0000 0.0000 34180.6350 -149440.1642 298.5080 -183620.7992 -149342.4675 298.8888 -19.5986 17.4278 557178.0375 15.0509 15.2744 PRESSURE: 3597200 -8.15918 55.432 189.088 55.4316 11.4751 14.916 189.089 14.9171 -183.275 GPRESSURE: 3597200 39.7943 64.6506 141.329 124.512 48.2358 17.0128 180.262 77.3791 -161.145 PRESSAVG: 3597200 4.73394 2.43787 -3.67671 2.43796 -7.29138 -25.0431 -3.6766 -25.043 25.3061 GPRESSAVG: 3597200 4.24145 2.708 -3.60063 2.2647 -7.43039 -25.8233 -3.90986 -24.8951 26.2264 TIMING: 3597200 CPU: 10424.6, 0.00287678/step Wall: 10424.6, 0.00287678/step, 1.12099 hours remaining, 210.324219 MB of memory in use. ENERGY: 3597200 762.6658 2074.5722 1956.9242 106.4218 -206250.0569 17781.0534 0.0000 0.0000 34133.2086 -149435.2110 298.0938 -183568.4196 -149339.3335 298.7417 -59.9865 -24.3716 557076.8917 7.5829 7.6791 PRESSURE: 3597400 -51.5871 -21.684 -187.294 -21.6843 23.4245 92.6923 -187.294 92.6944 -92.3066 GPRESSURE: 3597400 -24.2105 88.1456 -175.359 -96.929 26.7456 122.701 -183.323 1.17902 -7.73115 PRESSAVG: 3597400 15.8556 17.4311 6.85194 17.4311 20.3734 -43.8546 6.85184 -43.8546 -55.058 GPRESSAVG: 3597400 15.4475 16.5553 4.73908 16.7921 20.0417 -44.7368 7.96359 -45.6074 -54.2687 TIMING: 3597400 CPU: 10425.2, 0.00286771/step Wall: 10425.2, 0.00286771/step, 1.11729 hours remaining, 210.324219 MB of memory in use. ENERGY: 3597400 754.0240 2103.2844 1952.2482 118.3981 -206611.5288 17908.8846 0.0000 0.0000 34198.3938 -149576.2957 298.6631 -183774.6894 -149474.7358 298.1000 -40.1564 -1.7320 555856.3198 -6.2763 -6.2598 PRESSURE: 3597600 16.4242 37.3458 15.3815 37.3454 -192.16 59.4212 15.3807 59.4209 -80.6525 GPRESSURE: 3597600 95.8651 -89.0339 82.217 92.3077 -202.383 80.1933 -26.5133 75.6393 -49.3073 PRESSAVG: 3597600 8.17133 21.3391 49.3848 21.3391 27.553 -1.77573 49.3849 -1.77578 -46.0951 GPRESSAVG: 3597600 8.95426 22.5516 51.0927 23.0773 26.8125 -1.19952 48.8606 0.0712723 -46.1673 TIMING: 3597600 CPU: 10425.7, 0.00288244/step Wall: 10425.7, 0.00288244/step, 1.12287 hours remaining, 210.324219 MB of memory in use. ENERGY: 3597600 753.6167 2093.5597 1947.7914 111.1799 -206572.8370 17888.7325 0.0000 0.0000 34204.0561 -149573.9007 298.7125 -183777.9568 -149473.0426 298.3606 -85.4629 -51.9416 558592.2496 -3.4569 -3.4669 PRESSURE: 3597800 -235.51 -75.7521 -129.325 -75.7541 12.5357 -106.232 -129.324 -106.234 -192.705 GPRESSURE: 3597800 -155.966 -86.7919 -225.51 -58.3038 62.2081 -143.512 -83.5637 -112.986 -226.89 PRESSAVG: 3597800 -30.3588 25.2136 -0.965508 25.2135 -41.2485 4.92523 -0.965489 4.92523 30.3693 GPRESSAVG: 3597800 -31.1362 24.657 -4.46118 22.8489 -40.9379 5.06124 -0.143452 4.26593 30.1348 TIMING: 3597800 CPU: 10426.3, 0.00287593/step Wall: 10426.3, 0.00287593/step, 1.12017 hours remaining, 210.324219 MB of memory in use. ENERGY: 3597800 743.0127 2084.3295 1948.9039 116.1674 -206203.8260 17599.9965 0.0000 0.0000 34240.1785 -149471.2375 299.0280 -183711.4160 -149370.9068 298.1375 -138.5596 -106.8826 557917.1643 -13.7460 -13.9798 PRESSURE: 3598000 111.326 -67.3521 17.1 -67.3512 -86.6807 19.0436 17.0992 19.0413 -34.457 GPRESSURE: 3598000 138.174 60.094 45.3287 -112.939 -83.824 -47.0847 46.6235 28.9436 35.7067 PRESSAVG: 3598000 -46.5547 -24.9784 -3.67683 -24.9784 -2.46036 18.901 -3.67681 18.9011 10.7173 GPRESSAVG: 3598000 -47.3283 -26.5452 -1.24609 -22.6832 -2.25868 18.7449 -5.19132 18.2346 11.4881 TIMING: 3598000 CPU: 10426.9, 0.00287711/step Wall: 10426.9, 0.00287711/step, 1.12048 hours remaining, 210.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3598000 702.0151 2109.9903 1943.6592 127.2440 -206213.8697 17745.2196 0.0000 0.0000 34143.9346 -149441.8070 298.1875 -183585.7417 -149343.7062 297.8132 -3.2704 30.0191 556831.0447 -12.7659 -12.6996 PRESSURE: 3598200 -89.2866 37.1321 -19.8779 37.1315 210.017 -40.6808 -19.8788 -40.6805 110.993 GPRESSURE: 3598200 -70.483 -17.8842 19.6301 53.5275 239.745 -23.9117 0.692347 -71.4514 162.246 PRESSAVG: 3598200 -59.5105 -68.6859 -27.621 -68.6859 34.5262 -26.6669 -27.6209 -26.667 76.5997 GPRESSAVG: 3598200 -58.9791 -67.7329 -27.8677 -69.5284 34.4607 -26.4597 -25.5601 -26.7696 76.5715 TIMING: 3598200 CPU: 10427.5, 0.0028674/step Wall: 10427.5, 0.0028674/step, 1.11653 hours remaining, 210.324219 MB of memory in use. ENERGY: 3598200 733.8836 2129.4351 1936.5128 109.2736 -206297.2215 17910.1018 0.0000 0.0000 34137.0322 -149340.9823 298.1272 -183478.0145 -149252.3321 298.5077 77.2411 110.5027 556614.6680 17.2051 17.3510 PRESSURE: 3598400 228.825 -117.388 -63.3142 -117.388 139.825 157.027 -63.3142 157.027 208.318 GPRESSURE: 3598400 323.022 -88.054 -93.3402 -114.713 166.868 92.6968 -63.6893 222.315 193.532 PRESSAVG: 3598400 -8.73554 11.9812 16.3209 11.9811 12.6815 -32.1635 16.3209 -32.1634 -13.4243 GPRESSAVG: 3598400 -7.17529 14.2623 15.6723 10.9369 11.8232 -33.5818 15.2091 -30.188 -13.7182 TIMING: 3598400 CPU: 10428, 0.00287961/step Wall: 10428, 0.00287961/step, 1.12113 hours remaining, 210.324219 MB of memory in use. ENERGY: 3598400 708.2276 2030.2276 1995.4775 114.9382 -206563.0465 18078.4533 0.0000 0.0000 34322.4292 -149313.2932 299.7463 -183635.7224 -149215.5226 299.0113 192.3226 227.8071 557903.8415 -3.1595 -3.0234 PRESSURE: 3598600 -78.8596 -88.4087 11.7192 -88.4082 106.481 72.996 11.7188 72.9965 -185.261 GPRESSURE: 3598600 -83.3701 -40.8565 24.5095 -158.978 101.188 63.0096 0.741084 17.6388 -74.7144 PRESSAVG: 3598600 37.9294 -36.8167 11.3255 -36.8167 21.2406 -0.180615 11.3255 -0.180647 -26.116 GPRESSAVG: 3598600 36.1012 -36.9413 12.2827 -37.5368 22.9775 0.455672 11.2924 -0.151274 -25.8871 TIMING: 3598600 CPU: 10428.6, 0.00290081/step Wall: 10428.6, 0.00290081/step, 1.12922 hours remaining, 210.324219 MB of memory in use. ENERGY: 3598600 779.1620 2104.3997 1949.7592 108.3926 -206051.1481 17722.4296 0.0000 0.0000 34331.7446 -149055.2603 299.8277 -183387.0049 -148965.7103 299.3641 -52.5466 -18.9653 557173.6850 11.0180 11.0638 PRESSURE: 3598800 -361.232 -1.3358 131.53 -1.33349 -300.514 0.469854 131.529 0.471718 -306.655 GPRESSURE: 3598800 -310.079 15.2634 179.412 -9.64123 -231.705 51.7268 123.383 -16.3966 -325.956 PRESSAVG: 3598800 -30.5017 -9.28428 -7.46657 -9.28431 -21.781 -21.6244 -7.46655 -21.6245 35.4774 GPRESSAVG: 3598800 -30.3641 -12.0946 -6.41311 -7.35021 -22.5826 -19.6452 -8.09397 -24.6277 36.0893 TIMING: 3598800 CPU: 10429.2, 0.00287195/step Wall: 10429.2, 0.00287195/step, 1.11783 hours remaining, 210.324219 MB of memory in use. ENERGY: 3598800 794.0991 2111.9270 1940.7018 117.3568 -205577.0162 17343.9507 0.0000 0.0000 34476.0035 -148792.9774 301.0875 -183268.9808 -148697.1037 300.1669 -322.8005 -289.2469 558748.0823 -5.6018 -5.6191 PRESSURE: 3599000 -310.89 40.6732 -44.9195 40.6733 -146.221 -21.7698 -44.9201 -21.7718 -106.817 GPRESSURE: 3599000 -310.812 86.3855 53.2223 -11.853 -118.574 -90.1171 -136.862 -88.819 -31.6296 PRESSAVG: 3599000 -74.6096 44.6372 12.7289 44.6372 28.6978 58.9883 12.7289 58.9883 14.7125 GPRESSAVG: 3599000 -74.8869 45.4647 11.1623 42.686 29.1676 57.2744 12.3494 60.6578 14.3465 TIMING: 3599000 CPU: 10429.8, 0.00286699/step Wall: 10429.8, 0.00286699/step, 1.11574 hours remaining, 210.324219 MB of memory in use. ENERGY: 3599000 737.9248 2069.6260 1939.5092 112.5197 -205674.7562 17524.7748 0.0000 0.0000 34405.3559 -148885.0458 300.4705 -183290.4016 -148788.7672 300.3766 -187.9758 -153.6718 559789.8364 -10.3998 -10.4576 PRESSURE: 3599200 -75.9277 257.971 -54.4241 257.97 -253.426 149.352 -54.424 149.352 82.1724 GPRESSURE: 3599200 -47.3152 223.253 -68.6495 238.615 -229.908 177.257 -15.2395 169.312 132.862 PRESSAVG: 3599200 12.7001 20.8281 42.2359 20.828 11.8004 -11.1383 42.2359 -11.1382 3.56553 GPRESSAVG: 3599200 13.5183 22.3379 44.9914 22.3468 11.1538 -10.475 42.5272 -11.6973 2.91048 TIMING: 3599200 CPU: 10430.3, 0.00286119/step Wall: 10430.3, 0.00286119/step, 1.11332 hours remaining, 210.324219 MB of memory in use. ENERGY: 3599200 748.2345 2117.4887 1955.2435 114.4907 -205651.8493 17709.5389 0.0000 0.0000 34199.7167 -148807.1364 298.6746 -183006.8531 -148709.9601 300.3114 -82.3937 -48.1207 559167.4922 9.3553 9.1942 PRESSURE: 3599400 -23.2194 134.5 -1.20911 134.499 -234.355 -73.8919 -1.20812 -73.8903 -87.4715 GPRESSURE: 3599400 2.60553 109.927 40.4297 154.967 -183.636 -121.335 -60.6244 -28.7224 -62.0448 PRESSAVG: 3599400 15.3436 -3.30339 37.1543 -3.30338 5.26363 -17.271 37.1542 -17.2709 21.2182 GPRESSAVG: 3599400 16.2239 -4.68918 33.5674 -2.81805 4.77503 -19.5423 38.4423 -14.7768 19.8182 TIMING: 3599400 CPU: 10430.9, 0.00287401/step Wall: 10430.9, 0.00287401/step, 1.11815 hours remaining, 210.324219 MB of memory in use. ENERGY: 3599400 749.1586 2065.9341 1937.9311 113.6102 -205807.8053 17686.9235 0.0000 0.0000 34322.1129 -148932.1350 299.7435 -183254.2479 -148833.5964 300.1491 -115.0152 -81.0251 558252.3109 13.9418 13.6057 PRESSURE: 3599600 -31.6462 69.4018 19.9137 69.4016 58.3759 -70.911 19.9134 -70.9119 -166.674 GPRESSURE: 3599600 19.6763 99.6683 77.211 -15.6003 38.912 -135.196 48.9686 11.948 -69.9092 PRESSAVG: 3599600 24.4475 -6.89851 -20.3255 -6.89854 -30.6891 -22.0164 -20.3256 -22.0164 -41.6173 GPRESSAVG: 3599600 22.7211 -5.92518 -20.4791 -8.31924 -29.7978 -19.3729 -19.2474 -23.4622 -40.4438 TIMING: 3599600 CPU: 10431.5, 0.0028747/step Wall: 10431.5, 0.0028747/step, 1.11826 hours remaining, 210.324219 MB of memory in use. ENERGY: 3599600 768.6485 2043.5685 1951.5106 113.7591 -206057.5859 17733.3807 0.0000 0.0000 34461.5729 -148985.1456 300.9615 -183446.7185 -148891.5809 300.6475 -46.6480 -3.7736 558050.8552 -15.9530 -15.8402 PRESSURE: 3599800 -88.7898 -43.6305 -71.5194 -43.6297 -130.074 23.3257 -71.5199 23.3253 -202.147 GPRESSURE: 3599800 -37.219 -64.8634 -85.7931 -59.8753 -74.1768 -36.9005 -39.6256 11.2057 -207.816 PRESSAVG: 3599800 2.93915 24.8632 -21.8593 24.8631 -28.7602 -28.5158 -21.8592 -28.5158 -2.22311 GPRESSAVG: 3599800 3.88699 24.3017 -18.0371 26.3296 -29.6105 -29.4546 -24.5363 -28.2131 -2.11175 TIMING: 3599800 CPU: 10432.1, 0.00286228/step Wall: 10432.1, 0.00286228/step, 1.11327 hours remaining, 210.324219 MB of memory in use. ENERGY: 3599800 786.2754 2073.6942 1966.1660 110.6406 -205530.5507 17453.3643 0.0000 0.0000 34304.8171 -148835.5930 299.5925 -183140.4101 -148737.2407 300.0217 -140.3368 -106.4039 559017.4415 -9.3481 -9.2784 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3600000 WRITING COORDINATES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3600000 -6.92043 -24.3981 38.3311 -24.3974 -45.6996 98.1545 38.3313 98.155 101.441 GPRESSURE: 3600000 2.58598 18.0419 63.9432 -25.5745 33.5206 16.6484 43.1701 147.486 83.5383 PRESSAVG: 3600000 -20.8212 -14.4828 -26.7805 -14.4828 8.76064 70.2851 -26.7806 70.285 -4.7281 GPRESSAVG: 3600000 -20.4557 -13.8846 -28.0727 -15.5788 9.61252 70.5834 -26.0888 69.371 -6.10442 TIMING: 3600000 CPU: 10432.7, 0.00293265/step Wall: 10432.7, 0.00293265/step, 1.14048 hours remaining, 210.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3600000 746.3443 2032.7512 1936.4457 105.3454 -205728.1596 17666.1138 0.0000 0.0000 34415.1296 -148826.0295 300.5559 -183241.1591 -148734.0435 300.5686 16.2735 39.8816 557854.0824 -5.5962 -5.6492 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING VELOCITIES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3600200 162.177 -48.3031 48.8175 -48.304 92.4145 135.404 48.8176 135.405 166.17 GPRESSURE: 3600200 205.506 -13.7548 46.4567 -61.9344 131.88 95.4408 21.0265 83.7346 183.585 PRESSAVG: 3600200 28.9418 24.5892 38.8631 24.5892 -44.7536 19.1166 38.8631 19.1168 36.2941 GPRESSAVG: 3600200 27.6396 25.1928 39.9109 25.887 -44.9003 18.5818 37.6982 18.7489 37.971 TIMING: 3600200 CPU: 10433.2, 0.0028923/step Wall: 10433.2, 0.00289231/step, 1.12462 hours remaining, 210.324219 MB of memory in use. ENERGY: 3600200 699.9887 2086.6139 1944.3092 123.9265 -206239.3062 17882.6777 0.0000 0.0000 34719.3312 -148782.4589 303.2126 -183501.7902 -148681.0977 300.8236 140.2538 173.6570 556381.2487 6.8274 6.9034 LDB: ============= START OF LOAD BALANCING ============== 10436.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10436.6 LDB: =============== DONE WITH MIGRATION ================ 10436.6 LDB: ============= START OF LOAD BALANCING ============== 10436.9 LDB: Largest compute 4792 load 0.027646 is 23.4% of average load 0.117996 LDB: Average compute 0.001730 is 1.5% of average load 0.117996 LDB: TIME 10436.9 LOAD: AVG 0.117996 MAX 0.180223 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.609 MB LDB: TIME 10436.9 LOAD: AVG 0.117996 MAX 0.180223 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.809 MB LDB: TIME 10436.9 LOAD: AVG 0.117996 MAX 0.180223 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10436.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10436.9 PRESSURE: 3600400 173.35 -21.1103 -143.331 -21.1094 8.79521 124.901 -143.332 124.9 169.577 GPRESSURE: 3600400 169.027 21.7608 -188.473 -75.684 120.733 122.113 -166.634 166.272 153.285 PRESSAVG: 3600400 34.688 -18.7782 -21.8868 -18.7782 -32.0612 17.2641 -21.8868 17.2641 25.2023 GPRESSAVG: 3600400 36.045 -19.9965 -23.6042 -20.8011 -32.5609 18.9108 -21.2292 17.6484 24.1004 TIMING: 3600400 CPU: 10433.8, 0.00291757/step Wall: 10433.8, 0.00291757/step, 1.13429 hours remaining, 210.351562 MB of memory in use. ENERGY: 3600400 770.8495 2109.0607 1925.3933 102.8023 -206289.6974 18010.4826 0.0000 0.0000 34481.4636 -148889.6454 301.1352 -183371.1090 -148787.3340 300.7204 117.2406 147.6817 558215.4087 9.2764 9.1948 PRESSURE: 3600600 32.467 23.5275 -137.641 23.5277 -34.005 -63.505 -137.642 -63.5057 298.687 GPRESSURE: 3600600 47.1065 -101.159 -172.051 95.6253 -1.27501 -135.596 -151.232 -64.165 345.84 PRESSAVG: 3600600 -3.33463 31.4097 -70.4234 31.4097 5.25608 -0.979477 -70.4234 -0.979567 35.8497 GPRESSAVG: 3600600 -3.75805 31.4474 -71.171 31.6959 5.54648 -2.28746 -69.143 -0.0133123 36.2928 TIMING: 3600600 CPU: 10434.4, 0.00287897/step Wall: 10434.4, 0.00287897/step, 1.11912 hours remaining, 210.351562 MB of memory in use. ENERGY: 3600600 749.7848 2093.1442 1945.4802 111.6789 -206230.9789 18078.3742 0.0000 0.0000 34376.7037 -148875.8127 300.2203 -183252.5165 -148785.9190 300.2240 99.0497 130.5571 558277.0483 12.5904 12.6937 PRESSURE: 3600800 87.6166 -15.3089 54.1696 -15.3073 -161.303 44.3362 54.1697 44.3352 62.2077 GPRESSURE: 3600800 96.9967 -2.40528 50.2799 12.5543 -121.455 40.7684 -12.5921 -14.4806 98.8163 PRESSAVG: 3600800 -8.5623 5.52098 15.1441 5.52092 -26.9058 54.7593 15.1441 54.7593 52.1355 GPRESSAVG: 3600800 -8.97746 4.78275 14.4928 7.32345 -26.6664 56.3476 13.4838 54.6216 52.7923 TIMING: 3600800 CPU: 10435, 0.00287168/step Wall: 10435, 0.00287168/step, 1.11613 hours remaining, 210.351562 MB of memory in use. ENERGY: 3600800 708.7595 2092.3083 1961.4989 109.5897 -205885.1835 17864.8743 0.0000 0.0000 34294.8826 -148853.2703 299.5057 -183148.1529 -148755.3410 300.2921 -3.8263 24.7860 559264.6194 5.5558 5.7162 PRESSURE: 3601000 75.8965 47.2702 -26.3868 47.2703 -144.446 45.8116 -26.3864 45.8119 13.5102 GPRESSURE: 3601000 137.019 67.495 -35.1783 18.5113 -99.2278 87.2469 102.121 51.3436 17.2096 PRESSAVG: 3601000 -32.4006 47.9172 -9.16333 47.9171 -33.6627 31.5595 -9.16333 31.5595 -5.22251 GPRESSAVG: 3601000 -32.0659 48.4629 -6.91511 44.9121 -33.3132 31.1209 -9.34444 30.4679 -5.04842 TIMING: 3601000 CPU: 10435.5, 0.00287817/step Wall: 10435.5, 0.00287817/step, 1.11849 hours remaining, 210.351562 MB of memory in use. ENERGY: 3601000 735.8693 2074.5639 1948.6854 101.9629 -206107.5283 17916.5315 0.0000 0.0000 34415.4620 -148914.4533 300.5588 -183329.9153 -148817.0223 300.6754 -18.3464 18.3336 557792.0897 -23.7619 -23.4758 PRESSURE: 3601200 -203.168 43.4578 -38.6583 43.4582 53.927 36.1364 -38.6597 36.1384 -65.3597 GPRESSURE: 3601200 -156.901 63.2759 64.2517 9.22028 81.8309 14.7011 -65.1335 95.6154 -47.6038 PRESSAVG: 3601200 -7.3682 13.5762 -5.88592 13.5763 4.19324 59.0386 -5.88587 59.0386 -26.9298 GPRESSAVG: 3601200 -7.92685 15.1617 -8.15238 14.8513 4.4032 57.9392 -4.37299 59.7277 -26.4613 TIMING: 3601200 CPU: 10436.1, 0.00287685/step Wall: 10436.1, 0.00287685/step, 1.11781 hours remaining, 210.351562 MB of memory in use. ENERGY: 3601200 745.5618 2109.7861 1928.2054 99.1915 -205955.5382 17637.4643 0.0000 0.0000 34515.8038 -148919.5252 301.4351 -183435.3290 -148817.3914 300.1654 -71.5335 -40.8914 558759.0718 -10.0349 -9.9950 PRESSURE: 3601400 179.21 -97.6065 -85.6299 -97.6072 163.166 10.0612 -85.6303 10.0607 227.296 GPRESSURE: 3601400 192.155 -117.173 -139.108 -112.536 199.296 5.87991 -150.127 66.6052 285.751 PRESSAVG: 3601400 -45.8673 18.8598 -23.0145 18.8598 19.3297 39.4703 -23.0145 39.4702 -0.00441793 GPRESSAVG: 3601400 -45.66 18.5971 -20.462 19.8924 19.5581 40.2223 -23.1526 39.5107 -0.724244 TIMING: 3601400 CPU: 10436.7, 0.0028836/step Wall: 10436.7, 0.0028836/step, 1.12028 hours remaining, 210.351562 MB of memory in use. ENERGY: 3601400 741.4067 2056.3966 1969.4208 111.7009 -206160.0403 17939.6078 0.0000 0.0000 34433.3956 -148908.1120 300.7154 -183341.5077 -148813.4839 300.6615 189.8907 225.7341 558001.7740 -8.8473 -8.9421 PRESSURE: 3601600 25.515 227.826 105.073 227.826 -177.426 -138.738 105.073 -138.738 195.671 GPRESSURE: 3601600 48.3619 162.521 120.31 174.53 -92.1996 -138.681 64.0339 -91.2528 196.158 PRESSAVG: 3601600 92.8687 -43.8639 37.6952 -43.8639 -27.3633 -2.27104 37.6952 -2.27095 -18.8344 GPRESSAVG: 3601600 92.1974 -44.0596 36.7654 -45.6238 -27.624 -3.61768 36.0152 -1.00021 -18.1883 TIMING: 3601600 CPU: 10437.3, 0.00288713/step Wall: 10437.3, 0.00288713/step, 1.12149 hours remaining, 210.351562 MB of memory in use. ENERGY: 3601600 735.2555 2107.9663 1938.5129 112.4878 -206217.1825 17768.8114 0.0000 0.0000 34614.1391 -148940.0096 302.2939 -183554.1487 -148840.4603 300.8872 14.5870 50.7733 558008.3318 15.5570 15.4617 PRESSURE: 3601800 -197.204 -83.1958 -17.0002 -83.1952 40.3304 -33.2964 -16.9996 -33.2961 -185.305 GPRESSURE: 3601800 -137.791 -60.7338 -70.0605 -132.116 80.9347 -43.294 35.8761 -25.2705 -177.612 PRESSAVG: 3601800 -12.3906 -7.02312 10.5154 -7.02314 -17.1714 -23.1329 10.5154 -23.1329 36.2117 GPRESSAVG: 3601800 -10.886 -8.41746 11.421 -7.09447 -17.8343 -22.5694 12.0769 -22.9952 35.1465 TIMING: 3601800 CPU: 10437.8, 0.00288114/step Wall: 10437.8, 0.00288114/step, 1.119 hours remaining, 210.351562 MB of memory in use. ENERGY: 3601800 776.1724 2081.1430 1943.1388 115.7502 -206027.9516 17644.1726 0.0000 0.0000 34427.8790 -149039.6956 300.6672 -183467.5746 -148948.0908 300.3649 -114.0597 -78.1562 558380.7871 2.2166 2.1421 PRESSURE: 3602000 157.436 -86.9889 -89.6397 -86.9888 -223.742 60.9068 -89.6394 60.9067 226.628 GPRESSURE: 3602000 249.005 -67.6032 -102.861 -124.484 -240.757 107.061 -109.054 -16.1232 248.959 PRESSAVG: 3602000 -41.0775 -18.71 42.9497 -18.7099 17.9658 6.16031 42.9497 6.16036 17.0426 GPRESSAVG: 3602000 -40.244 -17.7858 42.5737 -16.7113 17.8074 3.93994 43.4148 5.55558 16.7248 TIMING: 3602000 CPU: 10438.4, 0.00289238/step Wall: 10438.4, 0.00289238/step, 1.12321 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3602000 764.2051 2057.3960 1913.5628 109.7873 -206339.9537 18065.6117 0.0000 0.0000 34410.9972 -149018.3935 300.5198 -183429.3908 -148918.6381 299.6845 53.4407 85.7356 558173.1975 -2.0230 -1.9039 PRESSURE: 3602200 48.926 -20.768 -79.5802 -20.768 140.694 141.611 -79.5796 141.612 -153.713 GPRESSURE: 3602200 80.2983 -89.9002 -122.724 45.5467 175.556 167.147 -79.5415 124.342 -119.617 PRESSAVG: 3602200 -2.23442 -48.0099 -23.6742 -48.0099 -48.3864 -4.23139 -23.6741 -4.23129 70.0513 GPRESSAVG: 3602200 -3.46316 -48.0499 -20.7519 -48.4235 -48.8056 -0.9629 -24.7545 -4.51578 71.6132 TIMING: 3602200 CPU: 10439, 0.00288946/step Wall: 10439, 0.00288946/step, 1.12191 hours remaining, 210.351562 MB of memory in use. ENERGY: 3602200 772.0252 2078.8169 1979.9081 118.3208 -206164.1859 17920.9085 0.0000 0.0000 34232.7988 -149061.4075 298.9635 -183294.2064 -148968.2664 299.4450 11.9690 45.4126 559295.4093 6.4769 6.4481 PRESSURE: 3602400 -255.809 -135.852 171.969 -135.852 -132.611 -121.613 171.968 -121.614 -281.6 GPRESSURE: 3602400 -197.584 -108.866 179.599 -71.8726 -93.3113 -112.437 171.713 -129.843 -281.763 PRESSAVG: 3602400 -15.1285 6.02488 5.52059 6.02487 69.3866 -9.31215 5.52048 -9.31209 -32.0941 GPRESSAVG: 3602400 -14.1207 5.71024 0.76503 5.42885 70.4893 -11.8121 6.77392 -8.71724 -33.891 TIMING: 3602400 CPU: 10439.6, 0.00288493/step Wall: 10439.6, 0.00288493/step, 1.11999 hours remaining, 210.351562 MB of memory in use. ENERGY: 3602400 773.8215 2089.2505 1936.7670 120.7840 -206095.3848 17617.7761 0.0000 0.0000 34365.2865 -149191.6993 300.1206 -183556.9858 -149094.4972 299.5463 -223.3403 -190.8859 559232.7380 7.3880 7.4925 PRESSURE: 3602600 -109.922 78.2525 176.84 78.2537 24.4777 -258.774 176.841 -258.774 -297.73 GPRESSURE: 3602600 -53.9255 52.8539 154.363 54.6047 60.3522 -325.696 246.109 -196.091 -296.482 PRESSAVG: 3602600 19.033 -29.641 64.32 -29.641 -22.0101 -43.4396 64.3201 -43.4393 -14.0931 GPRESSAVG: 3602600 18.781 -29.2971 64.0476 -29.7601 -22.0585 -41.7337 65.0229 -44.3938 -13.264 TIMING: 3602600 CPU: 10440.2, 0.00288512/step Wall: 10440.2, 0.00288512/step, 1.11991 hours remaining, 210.351562 MB of memory in use. ENERGY: 3602600 799.2489 2062.6503 1929.0175 109.7539 -206206.6274 17786.9896 0.0000 0.0000 34290.5338 -149228.4334 299.4678 -183518.9672 -149130.1405 299.0968 -127.7248 -96.6851 556796.4597 -5.6901 -5.5138 PRESSURE: 3602800 -327.812 -117.948 7.80033 -117.949 -286.683 37.7864 7.80068 37.7862 -357.701 GPRESSURE: 3602800 -262.901 -88.8792 -76.7184 -177.764 -280.988 108.76 38.9698 55.058 -334.42 PRESSAVG: 3602800 9.62567 -0.988999 41.5818 -0.989019 36.1146 -5.64704 41.5817 -5.6471 -29.5423 GPRESSAVG: 3602800 9.40357 -0.705953 43.2609 1.58004 35.4975 -6.80102 39.7776 -4.27246 -29.1438 TIMING: 3602800 CPU: 10440.7, 0.00289209/step Wall: 10440.7, 0.00289209/step, 1.12245 hours remaining, 210.351562 MB of memory in use. ENERGY: 3602800 764.8228 2082.9929 1947.1871 132.7784 -205660.6990 17368.5304 0.0000 0.0000 34297.9468 -149066.4405 299.5325 -183364.3873 -148971.2968 299.4172 -324.0657 -292.7695 558808.2798 5.3993 5.2524 PRESSURE: 3603000 -158.683 -96.3229 -13.5805 -96.3231 -181.356 88.5612 -13.5795 88.5609 -468.98 GPRESSURE: 3603000 -160.461 -112.337 56.093 -22.7635 -184.533 39.3834 9.32964 57.7436 -366.343 PRESSAVG: 3603000 33.5225 -17.732 12.9062 -17.732 -54.8527 6.77825 12.9062 6.77828 -29.4226 GPRESSAVG: 3603000 34.3166 -17.7854 12.1871 -20.1705 -55.4746 7.93414 14.2366 4.58723 -29.7958 TIMING: 3603000 CPU: 10441.3, 0.00289526/step Wall: 10441.3, 0.00289526/step, 1.12352 hours remaining, 210.351562 MB of memory in use. ENERGY: 3603000 770.3615 2134.3699 1943.4819 96.0917 -206047.8092 17632.6719 0.0000 0.0000 34357.5708 -149113.2615 300.0532 -183470.8323 -149013.1545 300.1333 -269.6729 -237.1126 558383.0710 -16.9176 -16.9846 PRESSURE: 3603200 -50.8108 -63.6406 -155.776 -63.64 -102.123 196.339 -155.775 196.339 21.8594 GPRESSURE: 3603200 -33.254 -31.9721 -183.01 -57.4994 -65.2061 121.77 -137.14 182.105 69.5768 PRESSAVG: 3603200 46.346 28.0285 -44.5126 28.0285 -6.26067 47.1021 -44.5126 47.1021 5.56728 GPRESSAVG: 3603200 45.6075 30.0701 -44.608 27.5271 -5.59004 47.9634 -44.2315 48.1377 5.88459 TIMING: 3603200 CPU: 10441.9, 0.00287261/step Wall: 10441.9, 0.00287261/step, 1.11457 hours remaining, 210.351562 MB of memory in use. ENERGY: 3603200 742.8708 2141.7099 1968.1478 110.5098 -206345.3038 17836.0271 0.0000 0.0000 34433.1292 -149112.9092 300.7131 -183546.0384 -149016.1098 300.1188 -43.6914 -9.6278 558570.2815 15.2175 15.3007 PRESSURE: 3603400 -257.237 -98.4619 175.077 -98.4617 40.1832 -23.2427 175.078 -23.2422 -174.654 GPRESSURE: 3603400 -224.591 -121.702 153.903 -122.467 41.4908 43.3869 102.865 -12.0297 -110.755 PRESSAVG: 3603400 40.3804 -0.622289 -27.1542 -0.622246 -37.0136 -10.5696 -27.1542 -10.5696 9.35845 GPRESSAVG: 3603400 41.122 -1.78486 -27.3015 0.540994 -37.6217 -12.3623 -27.6369 -10.4082 9.64252 TIMING: 3603400 CPU: 10442.5, 0.00287312/step Wall: 10442.5, 0.00287312/step, 1.11461 hours remaining, 210.351562 MB of memory in use. ENERGY: 3603400 760.0844 2080.5345 1938.4460 118.4144 -205928.6907 17726.9601 0.0000 0.0000 34110.3669 -149193.8843 297.8943 -183304.2512 -149095.5653 298.8886 -130.5694 -97.9518 558767.9529 4.2417 4.3810 PRESSURE: 3603600 21.4367 72.4037 108.664 72.4036 -75.038 20.4468 108.665 20.4468 -59.5088 GPRESSURE: 3603600 44.578 94.2079 156.605 49.7517 -26.1059 -57.0845 76.1251 45.7645 -39.1535 PRESSAVG: 3603600 26.4857 -24.1459 5.48912 -24.1459 -8.92536 21.1623 5.48918 21.1623 -24.9642 GPRESSAVG: 3603600 25.5186 -24.3045 6.5935 -25.5773 -7.68297 21.7132 4.56105 20.7832 -25.278 TIMING: 3603600 CPU: 10443, 0.0028739/step Wall: 10443, 0.00287391/step, 1.11476 hours remaining, 210.351562 MB of memory in use. ENERGY: 3603600 767.8490 2164.2263 1924.9836 125.1306 -206376.7381 17864.9095 0.0000 0.0000 34340.8868 -149188.7522 299.9075 -183529.6390 -149088.1356 299.1946 -37.7033 -6.8938 557044.0010 -2.4680 -2.4808 PRESSURE: 3603800 75.8034 -128.988 16.1335 -128.987 -90.536 -21.1818 16.134 -21.1802 53.6628 GPRESSURE: 3603800 86.3854 -149.99 -94.3233 -41.3666 -26.8582 -42.8359 20.5472 -61.6151 74.4584 PRESSAVG: 3603800 23.0802 4.74168 -21.2501 4.74175 -90.7869 -33.2979 -21.2501 -33.2978 49.417 GPRESSAVG: 3603800 23.7852 4.50666 -20.609 4.90189 -91.6251 -33.7961 -22.5939 -34.3806 49.2197 TIMING: 3603800 CPU: 10443.6, 0.00288326/step Wall: 10443.6, 0.00288326/step, 1.11822 hours remaining, 210.351562 MB of memory in use. ENERGY: 3603800 757.1619 2088.7119 1951.4337 121.3146 -206105.5171 17644.5917 0.0000 0.0000 34210.1972 -149332.1060 298.7662 -183542.3032 -149236.0072 299.0477 12.9767 44.6619 557020.2762 -6.0966 -6.2068 PRESSURE: 3604000 -162.232 92.6258 163.731 92.6262 62.3873 -6.88565 163.73 -6.88602 -223.38 GPRESSURE: 3604000 -151.628 66.9776 239.447 71.4811 138.03 -85.225 262.789 -64.1497 -200.382 PRESSAVG: 3604000 -42.7226 -38.1863 -21.9751 -38.1863 -4.23771 13.6476 -21.9751 13.6475 44.4814 GPRESSAVG: 3604000 -42.3755 -39.1686 -22.4287 -36.4757 -3.58474 14.5407 -20.3765 14.2581 43.339 TIMING: 3604000 CPU: 10444.2, 0.00288752/step Wall: 10444.2, 0.00288752/step, 1.11972 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3604000 772.7168 2117.5227 1946.5553 116.8151 -206244.6553 17620.7145 0.0000 0.0000 34274.3761 -149395.9550 299.3267 -183670.3310 -149305.9856 299.1351 -107.7416 -71.3267 557174.8830 -0.8263 -0.8737 PRESSURE: 3604200 -69.7007 -39.3142 -46.9903 -39.3146 -229.18 126.093 -46.9905 126.095 -274.202 GPRESSURE: 3604200 12.2801 7.13564 20.4836 -59.0897 -276.939 116.684 -84.5519 149.811 -222.412 PRESSAVG: 3604200 51.3809 2.40729 34.4936 2.40736 -4.80308 9.61965 34.4936 9.61976 -25.6312 GPRESSAVG: 3604200 52.5357 3.36109 34.0769 3.63498 -5.40062 9.02946 33.863 10.8158 -25.7346 TIMING: 3604200 CPU: 10444.8, 0.00288387/step Wall: 10444.8, 0.00288387/step, 1.11814 hours remaining, 210.351562 MB of memory in use. ENERGY: 3604200 743.6256 2118.2700 1936.0481 102.0230 -206317.0616 17705.9319 0.0000 0.0000 34406.5614 -149304.6017 300.4811 -183711.1631 -149208.4951 298.7161 -191.0275 -162.3568 559867.7610 6.9822 7.1335 LDB: ============= START OF LOAD BALANCING ============== 10448.2 LDB: ============== END OF LOAD BALANCING =============== 10448.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10448.2 LDB: ============= START OF LOAD BALANCING ============== 10448.4 LDB: Largest compute 4773 load 0.027098 is 23.0% of average load 0.117971 LDB: Average compute 0.001737 is 1.5% of average load 0.117971 LDB: TIME 10448.4 LOAD: AVG 0.117971 MAX 0.179269 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.375 MB LDB: TIME 10448.4 LOAD: AVG 0.117971 MAX 0.179269 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: TIME 10448.4 LOAD: AVG 0.117971 MAX 0.179269 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10448.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10448.4 PRESSURE: 3604400 184.361 -73.8005 -83.589 -73.8002 35.9003 -22.4554 -83.5887 -22.4543 4.30281 GPRESSURE: 3604400 227.132 -79.1709 -132.165 -30.9132 105.36 -43.0548 59.4679 1.88831 -15.8591 PRESSAVG: 3604400 68.4871 -6.29635 -53.5042 -6.29645 -53.4531 -7.66716 -53.5041 -7.66707 -23.0729 GPRESSAVG: 3604400 66.7546 -7.35616 -56.6087 -8.0445 -52.9385 -7.13966 -51.6523 -8.32802 -21.7271 TIMING: 3604400 CPU: 10445.4, 0.00292262/step Wall: 10445.4, 0.00292262/step, 1.133 hours remaining, 210.351562 MB of memory in use. ENERGY: 3604400 737.0104 2137.2929 1955.6047 116.5669 -206532.3508 17855.1643 0.0000 0.0000 34206.7297 -149523.9819 298.7359 -183730.7117 -149429.0289 298.7383 74.8548 105.5443 557014.1689 -2.6797 -2.6370 PRESSURE: 3604600 137.101 59.9456 -37.808 59.946 299.693 -173.045 -37.8071 -173.044 321.763 GPRESSURE: 3604600 150.679 53.5362 5.93056 64.0352 344.315 -66.8552 -22.1105 -191.293 347.796 PRESSAVG: 3604600 7.95895 -54.1588 -48.7059 -54.1587 37.5155 -31.6163 -48.7059 -31.6163 -11.6414 GPRESSAVG: 3604600 7.43621 -52.757 -46.3625 -54.2465 36.7066 -31.6509 -49.8944 -31.7215 -10.504 TIMING: 3604600 CPU: 10445.9, 0.00287745/step Wall: 10445.9, 0.00287745/step, 1.11533 hours remaining, 210.351562 MB of memory in use. ENERGY: 3604600 737.0621 2134.3144 1927.4554 112.6354 -206917.8651 18140.3520 0.0000 0.0000 34295.5550 -149570.4907 299.5116 -183866.0457 -149477.4522 298.0297 252.8523 280.9299 555626.7356 11.2777 11.2129 PRESSURE: 3604800 -108.995 149.303 44.6941 149.304 55.7623 -1.46254 44.6943 -1.46187 161.365 GPRESSURE: 3604800 -75.36 83.1794 40.8881 162.013 78.1906 -61.0684 97.7878 -0.731391 204.398 PRESSAVG: 3604800 -32.5871 29.2351 -57.5502 29.2351 -8.20892 -2.64753 -57.5503 -2.64749 28.3901 GPRESSAVG: 3604800 -31.9141 29.0523 -57.3247 28.9288 -8.46343 -4.17504 -58.1715 -0.979421 27.2883 TIMING: 3604800 CPU: 10446.5, 0.00287133/step Wall: 10446.5, 0.00287133/step, 1.1128 hours remaining, 210.351562 MB of memory in use. ENERGY: 3604800 751.3386 2080.3337 1956.3849 121.0902 -206554.7536 17907.5106 0.0000 0.0000 34290.0476 -149448.0480 299.4635 -183738.0956 -149354.4899 298.0199 36.0443 69.0764 557445.6046 -4.1353 -4.3631 PRESSURE: 3605000 205.501 -178.345 -146.461 -178.346 -139.25 0.0705111 -146.461 0.0706343 -191.587 GPRESSURE: 3605000 246.611 -48.8161 -148.261 -289.687 -67.5364 -44.3524 -157.025 12.2935 -198.331 PRESSAVG: 3605000 -8.59977 25.634 27.7786 25.634 59.8447 -2.51723 27.7787 -2.51721 -16.313 GPRESSAVG: 3605000 -9.25506 24.9686 29.3519 26.6189 60.3135 -1.80367 26.8307 -2.47188 -16.0989 TIMING: 3605000 CPU: 10447.1, 0.00288104/step Wall: 10447.1, 0.00288104/step, 1.1164 hours remaining, 210.351562 MB of memory in use. ENERGY: 3605000 739.2705 2083.7242 1969.3258 99.2650 -206261.9740 17709.6321 0.0000 0.0000 34141.4615 -149519.2948 298.1659 -183660.7563 -149426.5114 298.0880 -41.7786 -6.4191 557143.1357 11.6440 11.6532 PRESSURE: 3605200 -111.179 -75.4451 -18.3838 -75.444 -375.908 -13.5923 -18.3843 -13.5943 -208.525 GPRESSURE: 3605200 -60.3696 -87.057 -39.462 -79.7511 -357.122 17.8606 -38.695 -68.0897 -169.596 PRESSAVG: 3605200 15.7615 -31.1512 14.0425 -31.1511 -9.63053 21.0619 14.0426 21.0619 -0.494187 GPRESSAVG: 3605200 16.0238 -31.1232 14.2574 -32.9208 -8.88177 21.2331 13.963 21.5439 -1.31136 TIMING: 3605200 CPU: 10447.7, 0.00288006/step Wall: 10447.7, 0.00288006/step, 1.11586 hours remaining, 210.351562 MB of memory in use. ENERGY: 3605200 809.7449 2134.1639 1944.2278 103.9814 -206631.8767 17775.3005 0.0000 0.0000 34335.6973 -149528.7610 299.8622 -183864.4582 -149430.8370 298.5502 -231.8704 -195.6958 558258.6998 1.8789 1.9435 PRESSURE: 3605400 -117 123.474 -1.72546 123.473 -131.337 116.727 -1.72572 116.728 -362.443 GPRESSURE: 3605400 -115.975 139.502 -6.10964 92.9122 -163.135 132.453 -74.7789 100.634 -232.909 PRESSAVG: 3605400 -22.4632 -79.1177 1.75239 -79.1178 34.3114 9.98044 1.75243 9.98049 -3.80844 GPRESSAVG: 3605400 -22.3717 -78.7392 -0.0484648 -78.7353 34.2827 9.65492 1.73545 9.7359 -3.40901 TIMING: 3605400 CPU: 10448.2, 0.00289381/step Wall: 10448.2, 0.00289381/step, 1.12103 hours remaining, 210.351562 MB of memory in use. ENERGY: 3605400 741.2134 2147.4392 1968.4037 106.6149 -206084.6711 17718.8233 0.0000 0.0000 33884.1253 -149518.0513 295.9185 -183402.1765 -149414.2521 298.2259 -203.5930 -170.6731 558659.5365 2.6799 2.8340 PRESSURE: 3605600 345.462 -57.5688 -98.369 -57.569 -37.3289 1.67099 -98.3689 1.67278 85.5349 GPRESSURE: 3605600 341.784 -185.955 -107.987 -20.1136 2.23563 18.1104 -116.428 -36.6982 140.958 PRESSAVG: 3605600 13.0309 -32.5819 7.68073 -32.582 -25.7059 -4.5834 7.68067 -4.58325 15.2143 GPRESSAVG: 3605600 13.9221 -33.6013 9.15429 -31.7183 -26.7958 -5.50389 6.15461 -5.64161 14.8865 TIMING: 3605600 CPU: 10448.8, 0.00288592/step Wall: 10448.8, 0.00288592/step, 1.11781 hours remaining, 210.351562 MB of memory in use. ENERGY: 3605600 740.8423 2202.9940 1976.5356 117.0893 -206912.1914 18162.7748 0.0000 0.0000 34350.7417 -149361.2138 299.9936 -183711.9555 -149271.2281 297.8818 131.2226 161.6594 556984.8448 0.8464 0.6709 PRESSURE: 3605800 10.2022 143.57 -89.7766 143.569 58.9862 -2.35917 -89.7777 -2.3584 -34.4252 GPRESSURE: 3605800 61.4084 147.014 -47.748 113.786 78.503 -9.96061 -32.0121 7.02094 -7.94171 PRESSAVG: 3605800 60.221 13.6133 20.8252 13.6132 -4.0179 19.5312 20.8253 19.5311 -22.2152 GPRESSAVG: 3605800 58.8428 15.4467 20.5272 13.4114 -3.31845 20.3462 21.8195 17.7698 -22.1269 TIMING: 3605800 CPU: 10449.4, 0.00289048/step Wall: 10449.4, 0.00289048/step, 1.11942 hours remaining, 210.351562 MB of memory in use. ENERGY: 3605800 733.3867 2095.1762 1969.3245 135.9552 -206317.7705 17733.1591 0.0000 0.0000 34296.8703 -149353.8985 299.5231 -183650.7688 -149247.3774 299.0273 11.5877 43.9899 558025.3443 11.3293 11.1325 PRESSURE: 3606000 49.6074 202.111 -0.950512 202.11 -15.8596 -52.9659 -0.94896 -52.9654 104.668 GPRESSURE: 3606000 36.8438 101.996 -60.8825 181.44 58.0883 -62.1237 26.5319 -69.4141 154.517 PRESSAVG: 3606000 39.9966 4.73465 -20.6531 4.73464 -33.4345 55.8119 -20.653 55.8119 -9.88659 GPRESSAVG: 3606000 39.8077 3.38275 -22.0907 6.65976 -34.1345 54.4303 -18.0058 57.1576 -9.91227 TIMING: 3606000 CPU: 10450, 0.00288696/step Wall: 10450, 0.00288696/step, 1.1179 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3606000 798.0039 2116.3366 1984.7410 129.9211 -206418.3233 18009.0246 0.0000 0.0000 34287.9702 -149092.3258 299.4454 -183380.2960 -149000.1731 299.1086 46.1385 83.1496 557621.2806 -1.1082 -1.4130 PRESSURE: 3606200 -152.277 73.6948 -119.07 73.6945 -107.378 -52.8948 -119.07 -52.896 -165.296 GPRESSURE: 3606200 -144.871 66.0651 -154.52 104.022 -61.4918 49.3403 -134.557 -69.9404 -124.895 PRESSAVG: 3606200 -4.64848 44.6664 -70.1132 44.6665 -34.3896 -11.4276 -70.1132 -11.4276 71.0138 GPRESSAVG: 3606200 -6.03392 45.8401 -68.6571 42.4147 -34.3351 -9.59839 -72.4349 -11.8826 72.0712 TIMING: 3606200 CPU: 10450.5, 0.00286746/step Wall: 10450.5, 0.00286746/step, 1.11018 hours remaining, 210.351562 MB of memory in use. ENERGY: 3606200 843.9707 2148.7804 1967.2403 112.9548 -206166.1978 17659.0295 0.0000 0.0000 34036.0059 -149398.2162 297.2449 -183434.2221 -149301.1567 298.4888 -141.6506 -110.4193 557472.5016 10.6586 10.5674 PRESSURE: 3606400 179.577 -42.5657 -78.6096 -42.5639 -99.5536 40.6582 -78.6086 40.6603 134.062 GPRESSURE: 3606400 213.053 -76.5017 -78.5272 -65.874 -25.7422 97.4331 -73.1182 31.9964 125.417 PRESSAVG: 3606400 -38.1167 -12.2522 -10.3213 -12.2522 -12.5195 31.5068 -10.3213 31.5067 19.2752 GPRESSAVG: 3606400 -36.1252 -13.0882 -11.2336 -9.55175 -11.9878 32.8323 -9.10045 33.1717 16.8348 TIMING: 3606400 CPU: 10451.1, 0.00288444/step Wall: 10451.1, 0.00288444/step, 1.1166 hours remaining, 210.351562 MB of memory in use. ENERGY: 3606400 760.4603 2152.0203 1963.5791 113.5530 -206741.7440 18145.4667 0.0000 0.0000 34259.5621 -149347.1027 299.1973 -183606.6648 -149253.1319 298.8313 71.3618 104.2424 557695.0887 -10.4537 -10.4261 PRESSURE: 3606600 -68.8544 -152.165 81.281 -152.163 206.595 27.0889 81.2819 27.0891 63.2268 GPRESSURE: 3606600 17.6895 -143.813 147.086 -98.1266 213.59 31.077 59.9225 -11.2951 64.5699 PRESSAVG: 3606600 -49.2749 -58.9511 50.1871 -58.9511 -14.3385 45.2353 50.1871 45.2354 63.957 GPRESSAVG: 3606600 -49.8089 -57.6886 50.3448 -58.5424 -15.3515 42.9714 48.8168 45.4195 66.0241 TIMING: 3606600 CPU: 10451.7, 0.00287757/step Wall: 10451.7, 0.00287757/step, 1.11378 hours remaining, 210.351562 MB of memory in use. ENERGY: 3606600 692.5680 2224.4211 1911.4188 107.9527 -206011.4466 17658.9008 0.0000 0.0000 34185.9183 -149230.2669 298.5541 -183416.1852 -149134.7014 299.3129 66.9891 98.6163 556830.9553 0.1145 0.2879 PRESSURE: 3606800 122.034 -128.913 -171.661 -128.913 51.5691 -76.586 -171.662 -76.5854 -217.112 GPRESSURE: 3606800 123.843 -161.722 -141.809 -91.6757 99.9165 -126.936 -187.76 -23.6909 -164.681 PRESSAVG: 3606800 36.6837 -31.3124 -16.9863 -31.3124 -27.295 27.448 -16.9863 27.448 -8.58386 GPRESSAVG: 3606800 37.1312 -34.3923 -17.2588 -32.225 -25.9811 29.1289 -18.0108 25.2794 -10.5494 TIMING: 3606800 CPU: 10452.3, 0.00290884/step Wall: 10452.3, 0.00290884/step, 1.12572 hours remaining, 210.351562 MB of memory in use. ENERGY: 3606800 741.0743 2142.8849 1923.7130 119.2420 -206073.6594 17633.0735 0.0000 0.0000 34259.8516 -149253.8202 299.1998 -183513.6718 -149148.7550 299.6775 -14.5031 19.6927 557221.9737 0.2683 0.2002 PRESSURE: 3607000 23.2133 -132.729 -103.245 -132.729 37.0579 202.898 -103.245 202.898 -158.903 GPRESSURE: 3607000 58.6605 -124.683 -78.7836 -133.284 104.742 145.1 -109.713 253.158 -172.027 PRESSAVG: 3607000 51.2334 1.72546 -32.7522 1.72546 -45.5898 -31.5649 -32.7522 -31.5649 -14.533 GPRESSAVG: 3607000 51.5634 3.50377 -34.9551 0.283419 -45.8532 -31.8976 -30.4934 -28.808 -14.1536 TIMING: 3607000 CPU: 10452.9, 0.00287994/step Wall: 10452.9, 0.00287994/step, 1.11438 hours remaining, 210.351562 MB of memory in use. ENERGY: 3607000 749.5415 2186.6327 1908.5104 115.6820 -206249.0015 17881.5603 0.0000 0.0000 34260.8292 -149146.2453 299.2083 -183407.0745 -149053.8719 299.2985 -32.8774 -2.8747 556974.7516 -2.9631 -2.8145 PRESSURE: 3607200 -164.363 -144.862 9.14615 -144.861 -166.479 -61.0068 9.14488 -61.0073 -213.309 GPRESSURE: 3607200 -50.5375 -98.7008 -53.5524 -172.295 -212.749 -37.4848 64.4471 0.068669 -180.97 PRESSAVG: 3607200 15.5537 69.5777 -7.42986 69.5776 -49.8862 -2.56079 -7.42988 -2.56092 23.3004 GPRESSAVG: 3607200 15.5053 68.8279 -6.04837 71.1898 -50.3647 -1.41781 -8.42372 -6.65568 23.7468 TIMING: 3607200 CPU: 10453.4, 0.00290051/step Wall: 10453.4, 0.00290051/step, 1.12217 hours remaining, 210.351562 MB of memory in use. ENERGY: 3607200 743.6308 2205.8062 1931.9910 119.5139 -205989.9002 17479.1275 0.0000 0.0000 34504.0935 -149005.7373 301.3328 -183509.8309 -148912.2981 299.6585 -181.3836 -148.0857 558007.5930 -3.6774 -3.7042 PRESSURE: 3607400 -196.22 -8.44465 115.951 -8.4439 -160.791 3.38292 115.952 3.38338 0.961406 GPRESSURE: 3607400 -121.492 -2.68401 60.9509 -12.7074 -86.7038 -16.462 167.354 -31.8925 -41.8951 PRESSAVG: 3607400 51.817 -15.7533 -4.32478 -15.7533 -67.2396 23.0347 -4.32481 23.0349 27.9447 GPRESSAVG: 3607400 52.1699 -11.4911 -5.17463 -18.0469 -67.4711 21.0707 -4.93909 25.6299 27.6282 TIMING: 3607400 CPU: 10454, 0.00290232/step Wall: 10454, 0.00290232/step, 1.12271 hours remaining, 210.351562 MB of memory in use. ENERGY: 3607400 728.2846 2095.9768 1958.6344 116.8207 -205810.3743 17660.7068 0.0000 0.0000 34092.4242 -149157.5267 297.7376 -183249.9510 -149066.9869 299.9047 -118.6831 -83.3635 558314.6389 4.1740 4.1090 PRESSURE: 3607600 -115.508 216.866 -194.98 216.866 -71.3494 -82.7437 -194.98 -82.743 -57.0739 GPRESSURE: 3607600 -100.984 284.297 -241.083 218.61 -32.9969 -8.72356 -82.2577 -67.9117 -25.8822 PRESSAVG: 3607600 55.3196 11.0521 -25.5598 11.0521 -59.3584 -0.0610876 -25.5598 -0.0609958 19.7052 GPRESSAVG: 3607600 54.8465 8.40853 -24.4421 12.2392 -58.6164 0.524174 -23.6003 -0.412 19.2008 TIMING: 3607600 CPU: 10454.6, 0.00290118/step Wall: 10454.6, 0.00290118/step, 1.12211 hours remaining, 210.351562 MB of memory in use. ENERGY: 3607600 744.6159 2088.8610 1951.9542 110.9004 -206303.0999 17723.3112 0.0000 0.0000 34437.2151 -149246.2422 300.7488 -183683.4572 -149149.7490 300.2622 -81.3105 -53.2876 557246.5233 5.2221 5.1436 PRESSURE: 3607800 30.3714 81.4172 -3.16199 81.4176 -306.551 57.7634 -3.16144 57.7633 -171.993 GPRESSURE: 3607800 51.2123 85.7096 15.5441 200.87 -295.843 97.9342 -3.21628 -44.0511 -99.5706 PRESSAVG: 3607800 25.5627 49.5424 -22.6735 49.5424 -26.4138 68.1881 -22.6737 68.188 14.6762 GPRESSAVG: 3607800 25.691 48.5598 -21.4992 50.8389 -26.7248 64.0909 -23.2368 69.6194 14.7503 TIMING: 3607800 CPU: 10455.2, 0.00288081/step Wall: 10455.2, 0.00288081/step, 1.11407 hours remaining, 210.351562 MB of memory in use. ENERGY: 3607800 779.8409 2073.7640 1982.4486 111.9731 -206151.4153 17771.2962 0.0000 0.0000 34227.7228 -149204.3696 298.9192 -183432.0924 -149105.7135 299.5097 -149.3908 -114.7336 558968.5942 4.6084 4.5721 PRESSURE: 3608000 83.4824 -24.8413 -32.6875 -24.8409 -90.5397 13.3437 -32.6877 13.3435 -7.97617 GPRESSURE: 3608000 123.323 -33.6466 -44.9709 -26.1894 -42.4132 67.9171 34.4718 10.8572 4.24695 PRESSAVG: 3608000 8.71298 16.9076 12.2133 16.9076 39.8854 56.0421 12.2133 56.0421 -25.2137 GPRESSAVG: 3608000 8.11418 17.9687 10.4972 13.6466 40.5184 59.7117 11.9751 55.1169 -25.4381 TIMING: 3608000 CPU: 10455.7, 0.00287956/step Wall: 10455.7, 0.00287956/step, 1.11343 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3608000 759.5085 2037.8784 1938.5829 108.3581 -205918.2840 17644.2871 0.0000 0.0000 34213.2309 -149216.4381 298.7927 -183429.6690 -149119.3046 299.1481 -5.0112 28.3856 556255.9340 7.7949 7.7315 PRESSURE: 3608200 20.9727 -95.6834 -85.1987 -95.6836 -331.772 46.0075 -85.1987 46.0062 79.8817 GPRESSURE: 3608200 104.934 -46.928 -116.541 -157.168 -305.3 -35.5039 -143.215 143.529 67.8555 PRESSAVG: 3608200 83.7072 -35.3701 10.4216 -35.3702 -66.7391 -0.680595 10.4216 -0.680715 -31.8225 GPRESSAVG: 3608200 84.4313 -33.3196 11.4345 -36.1531 -67.0808 -0.921777 9.4069 -0.43087 -32.439 TIMING: 3608200 CPU: 10456.3, 0.00287023/step Wall: 10456.3, 0.00287023/step, 1.10966 hours remaining, 210.351562 MB of memory in use. ENERGY: 3608200 689.8587 2099.3102 1937.2735 121.4356 -206263.3646 17698.8642 0.0000 0.0000 34466.8307 -149249.7916 301.0074 -183716.6223 -149150.0385 299.3139 -76.9725 -44.1699 557438.4654 -4.9515 -5.0295 LDB: ============= START OF LOAD BALANCING ============== 10459.7 LDB: ============== END OF LOAD BALANCING =============== 10459.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10459.7 LDB: ============= START OF LOAD BALANCING ============== 10460 LDB: Largest compute 4773 load 0.027412 is 23.2% of average load 0.117992 LDB: Average compute 0.001744 is 1.5% of average load 0.117992 LDB: TIME 10460 LOAD: AVG 0.117992 MAX 0.178736 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 10460 LOAD: AVG 0.117992 MAX 0.178736 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.836 MB LDB: TIME 10460 LOAD: AVG 0.117992 MAX 0.178736 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10460 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10460 PRESSURE: 3608400 -104.966 -151.804 236.506 -151.805 64.6933 -90.6663 236.508 -90.6676 377.997 GPRESSURE: 3608400 -104.103 -189.452 232.445 -71.8864 118.724 -2.05827 157.985 -155.124 416.667 PRESSAVG: 3608400 -13.9401 -75.5226 11.8507 -75.5227 28.6694 -19.1946 11.8508 -19.1946 -1.74114 GPRESSAVG: 3608400 -13.7773 -78.0342 9.66874 -74.8114 28.9801 -20.1773 15.2809 -19.2487 -2.13615 TIMING: 3608400 CPU: 10456.9, 0.0029427/step Wall: 10456.9, 0.0029427/step, 1.13752 hours remaining, 211.953125 MB of memory in use. ENERGY: 3608400 746.9516 2106.2055 1929.0611 116.2190 -206501.3582 18127.3397 0.0000 0.0000 34266.8776 -149208.7037 299.2612 -183475.5813 -149110.6057 299.3148 112.5749 143.7624 557832.4046 4.3294 4.3555 PRESSURE: 3608600 -40.5856 34.6588 73.286 34.6577 -44.6651 -70.9245 73.2857 -70.9252 -236.916 GPRESSURE: 3608600 -8.1803 23.5196 82.0019 0.33078 -13.9436 -110.077 78.8712 55.7212 -215.774 PRESSAVG: 3608600 -35.2566 18.1265 -16.5777 18.1266 35.9401 2.568 -16.5778 2.56808 -4.58315 GPRESSAVG: 3608600 -36.3046 17.8513 -15.4071 19.8168 35.1938 1.74637 -17.8926 4.88763 -2.89857 TIMING: 3608600 CPU: 10457.5, 0.00289422/step Wall: 10457.5, 0.00289422/step, 1.11861 hours remaining, 211.953125 MB of memory in use. ENERGY: 3608600 769.0990 2138.1107 1941.8601 124.5354 -205956.1695 17487.5474 0.0000 0.0000 34394.8318 -149100.1849 300.3786 -183495.0168 -149005.7489 299.1825 -107.3890 -79.2992 556581.6980 -1.2999 -1.3365 PRESSURE: 3608800 -115.806 -209.444 30.4652 -209.444 -105.19 101.707 30.4653 101.706 292.478 GPRESSURE: 3608800 -107.8 -175.743 75.4494 -326.421 -56.9542 141.062 42.8214 10.1818 339.974 PRESSAVG: 3608800 -49.0155 -56.0391 -17.7546 -56.0391 6.67949 26.8903 -17.7546 26.8903 46.6549 GPRESSAVG: 3608800 -48.6799 -57.2392 -17.3813 -56.9352 7.12846 29.827 -18.2313 26.7192 45.9268 TIMING: 3608800 CPU: 10458.1, 0.00289693/step Wall: 10458.1, 0.00289693/step, 1.1195 hours remaining, 211.953125 MB of memory in use. ENERGY: 3608800 748.9652 2137.7900 1961.8536 115.4339 -206174.2809 17719.0544 0.0000 0.0000 34313.7112 -149177.4727 299.6702 -183491.1839 -149082.4494 299.3745 23.8275 58.4067 555292.7457 1.4397 1.4584 PRESSURE: 3609000 -259.216 70.4 99.7302 70.4004 -400.443 129.852 99.7295 129.852 -230.466 GPRESSURE: 3609000 -279.174 61.0503 42.3555 99.5318 -342.312 106.931 166.306 134.2 -167.224 PRESSAVG: 3609000 14.4019 -42.4406 13.1119 -42.4406 -11.3165 28.8173 13.1119 28.8172 28.3272 GPRESSAVG: 3609000 15.7567 -41.9424 13.115 -42.523 -11.4965 26.6123 13.8821 27.2683 27.3533 TIMING: 3609000 CPU: 10458.6, 0.00288171/step Wall: 10458.6, 0.00288171/step, 1.11346 hours remaining, 211.953125 MB of memory in use. ENERGY: 3609000 753.3790 2119.7898 1940.3170 107.2238 -205720.4376 17327.8559 0.0000 0.0000 34353.8554 -149118.0167 300.0208 -183471.8721 -149019.1203 299.5581 -296.7083 -262.9033 557032.2356 10.4709 10.5378 PRESSURE: 3609200 -81.2408 21.0589 148.375 21.059 -62.4704 -28.2373 148.375 -28.2374 -84.4388 GPRESSURE: 3609200 -28.6667 81.2972 197.471 34.4833 -65.5849 -100.631 84.7301 -103.775 -26.8056 PRESSAVG: 3609200 -50.1253 -35.3188 15.3054 -35.3189 19.6384 -36.4572 15.3054 -36.4574 -2.43374 GPRESSAVG: 3609200 -50.3359 -34.6197 15.3698 -36.1962 19.208 -37.2935 15.9418 -35.6345 -1.84806 TIMING: 3609200 CPU: 10459.2, 0.00292031/step Wall: 10459.2, 0.00292031/step, 1.12821 hours remaining, 211.953125 MB of memory in use. ENERGY: 3609200 729.4659 2050.3894 1943.4550 106.9475 -206031.9868 17757.9122 0.0000 0.0000 34293.2046 -149150.6121 299.4911 -183443.8167 -149055.7979 299.0479 -76.0500 -40.3524 557753.1809 -10.9736 -10.9920 PRESSURE: 3609400 -14.6464 -18.0025 27.9492 -18.003 -192.335 -172.15 27.9501 -172.15 -102.484 GPRESSURE: 3609400 -9.15644 -66.3273 -29.7893 -59.5457 -103.414 -136.518 29.2939 -95.1156 -92.457 PRESSAVG: 3609400 -36.4388 -34.4416 37.9217 -34.4416 33.9214 6.71497 37.9218 6.71486 9.61773 GPRESSAVG: 3609400 -36.7793 -35.4934 35.7892 -32.7658 34.7633 7.10272 35.7956 8.6944 9.00339 TIMING: 3609400 CPU: 10459.8, 0.00288086/step Wall: 10459.8, 0.00288086/step, 1.11281 hours remaining, 211.953125 MB of memory in use. ENERGY: 3609400 731.8572 2070.1578 1917.1673 118.3065 -205862.4014 17608.5912 0.0000 0.0000 34194.1811 -149222.1405 298.6263 -183416.3215 -149117.1263 298.8506 -103.1550 -68.3425 557421.1551 2.3668 2.3291 PRESSURE: 3609600 -129.428 -41.6485 124.169 -41.6482 -115.686 -57.6929 124.17 -57.6931 145.495 GPRESSURE: 3609600 -66.0327 -44.5869 126.121 43.4284 -126.183 0.976773 112.942 -100.256 185.871 PRESSAVG: 3609600 -11.9987 -35.1463 28.905 -35.1464 38.7035 24.0464 28.9051 24.0465 -26.3844 GPRESSAVG: 3609600 -12.2415 -34.4738 31.9031 -35.7379 37.9742 25.7408 31.6714 21.0642 -25.5839 TIMING: 3609600 CPU: 10460.4, 0.00289013/step Wall: 10460.4, 0.00289013/step, 1.11623 hours remaining, 211.953125 MB of memory in use. ENERGY: 3609600 751.8331 2149.4106 1960.0708 111.6209 -205951.1712 17643.8255 0.0000 0.0000 34282.8835 -149051.5268 299.4009 -183334.4103 -148959.3261 299.6697 -33.2064 -2.1151 557252.2978 0.1068 0.0496 PRESSURE: 3609800 -175.495 -15.573 18.774 -15.5726 -277.644 -74.3785 18.7738 -74.3772 177.096 GPRESSURE: 3609800 -90.154 3.63113 42.3411 20.827 -245.282 -89.5298 82.6309 -23.8672 164.479 PRESSAVG: 3609800 -12.7707 -31.6663 22.4907 -31.6663 33.3005 14.3928 22.4906 14.3929 -15.1087 GPRESSAVG: 3609800 -12.384 -29.8323 21.3687 -31.5671 32.8357 13.2627 22.1719 14.2506 -14.9051 TIMING: 3609800 CPU: 10461, 0.0029059/step Wall: 10461, 0.0029059/step, 1.12216 hours remaining, 211.953125 MB of memory in use. ENERGY: 3609800 733.9129 2083.7302 1940.6397 112.4895 -205524.8430 17397.2342 0.0000 0.0000 34223.7974 -149033.0392 298.8849 -183256.8365 -148939.8228 299.4218 -92.0143 -56.9856 558239.0046 1.8070 1.8489 PRESSURE: 3610000 125.749 -39.0131 165.613 -39.0142 81.6948 59.4269 165.613 59.427 -111.463 GPRESSURE: 3610000 97.5233 -53.3023 143.724 -26.1036 154.576 84.3765 172.014 -46.4742 -61.0343 PRESSAVG: 3610000 -6.77027 46.3392 -16.202 46.3393 1.07885 30.9356 -16.202 30.9356 18.8118 GPRESSAVG: 3610000 -8.38901 46.1134 -15.7736 46.3594 2.79944 32.1713 -17.5805 31.2055 18.8404 TIMING: 3610000 CPU: 10461.5, 0.00292306/step Wall: 10461.5, 0.00292306/step, 1.12862 hours remaining, 211.953125 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: 3610000 763.2384 2027.8036 1937.1744 126.7858 -205848.4055 17827.9158 0.0000 0.0000 34393.3796 -148772.1079 300.3659 -183165.4875 -148673.9035 300.1290 31.9934 63.6883 558360.0192 4.3734 4.4170 PRESSURE: 3610200 6.89174 -27.8099 -42.6738 -27.8107 102.753 73.3988 -42.6739 73.3978 186.587 GPRESSURE: 3610200 36.9715 -27.3262 -98.6794 -78.9722 160.911 82.7737 12.3721 47.6568 191.782 PRESSAVG: 3610200 74.1311 45.9284 59.8688 45.9284 -19.0932 15.4082 59.8689 15.4083 -41.2988 GPRESSAVG: 3610200 75.672 45.1928 59.9148 45.4984 -20.323 13.1719 61.8057 14.7541 -41.1916 TIMING: 3610200 CPU: 10462.1, 0.00289165/step Wall: 10462.1, 0.00289165/step, 1.11634 hours remaining, 211.953125 MB of memory in use. ENERGY: 3610200 745.6425 2100.7009 1921.4386 119.6117 -206211.1189 18030.2684 0.0000 0.0000 34481.9041 -148811.5526 301.1390 -183293.4567 -148715.9840 300.6242 98.7440 129.8884 557801.1348 4.5797 4.7191 PRESSURE: 3610400 -238.391 61.6759 -39.5176 61.6759 -0.842708 229.075 -39.5197 229.075 -233.641 GPRESSURE: 3610400 -217.108 105.035 -74.0615 33.636 82.6353 133.996 42.9066 212.049 -239.802 PRESSAVG: 3610400 -16.0714 10.025 54.1333 10.025 35.2295 26.3218 54.1332 26.3219 -39.5863 GPRESSAVG: 3610400 -17.5887 11.3309 53.9743 9.78385 36.5203 28.0243 54.0144 26.4874 -39.3693 TIMING: 3610400 CPU: 10462.7, 0.00285487/step Wall: 10462.7, 0.00285487/step, 1.10198 hours remaining, 211.953125 MB of memory in use. ENERGY: 3610400 742.4984 2026.8027 1948.3709 108.0274 -205526.9607 17490.0941 0.0000 0.0000 34208.8041 -149002.3632 298.7540 -183211.1672 -148902.3106 299.6361 -157.6249 -124.7583 557587.0181 -6.8094 -6.8126 PRESSURE: 3610600 -295.381 60.6326 77.9481 60.631 -111.303 14.5306 77.9479 14.5308 -418.307 GPRESSURE: 3610600 -267.297 27.8173 -48.7184 60.4913 -105.993 23.3314 162.757 31.2183 -348.322 PRESSAVG: 3610600 -103.493 -10.597 -34.1027 -10.597 100.367 5.35806 -34.1027 5.35796 51.5724 GPRESSAVG: 3610600 -102.541 -12.4928 -35.6184 -10.1241 100.536 3.34379 -35.8778 6.97743 51.4332 TIMING: 3610600 CPU: 10463.3, 0.00289915/step Wall: 10463.3, 0.00289915/step, 1.11891 hours remaining, 211.953125 MB of memory in use. ENERGY: 3610600 746.6101 2056.9186 1916.0721 120.4213 -205684.6531 17448.7617 0.0000 0.0000 34286.9505 -149108.9187 299.4365 -183395.8692 -149009.1406 299.2146 -274.9970 -240.5374 557667.6015 16.1488 16.4762 PRESSURE: 3610800 -33.4379 17.9751 39.5491 17.9765 -242.119 4.0441 39.5484 4.04421 -380.719 GPRESSURE: 3610800 16.4794 -22.7667 108.781 -9.13808 -205.822 54.4802 -34.5001 -76.8484 -358.519 PRESSAVG: 3610800 -1.39301 30.6625 -6.88613 30.6625 -85.2634 -4.85919 -6.88606 -4.8592 56.6108 GPRESSAVG: 3610800 -0.329704 31.8021 -6.31335 28.8219 -85.1821 -2.80281 -6.51089 -6.84274 56.2456 TIMING: 3610800 CPU: 10463.9, 0.00289922/step Wall: 10463.9, 0.00289922/step, 1.11878 hours remaining, 211.953125 MB of memory in use. ENERGY: 3610800 773.7174 2089.3898 1939.6304 105.5742 -205530.3404 17388.6261 0.0000 0.0000 34123.5328 -149109.8698 298.0093 -183233.4025 -149014.1539 299.2815 -218.7586 -182.6205 558240.0138 -10.0152 -9.7554 PRESSURE: 3611000 -191.45 64.0243 70.0331 64.025 -235.846 -2.68937 70.0322 -2.68799 -133.62 GPRESSURE: 3611000 -226.004 -14.2754 139.004 43.3833 -177.498 0.867748 -21.1317 -18.0111 -48.9544 PRESSAVG: 3611000 37.7438 38.0537 35.4652 38.0538 -46.0978 11.8082 35.4651 11.8084 -10.4038 GPRESSAVG: 3611000 36.789 37.7621 35.2198 39.786 -45.4779 9.62772 35.3215 12.5068 -10.2598 TIMING: 3611000 CPU: 10464.4, 0.00289463/step Wall: 10464.4, 0.00289463/step, 1.11684 hours remaining, 211.953125 MB of memory in use. ENERGY: 3611000 757.1497 2098.9639 1931.5826 118.7389 -205866.6329 17614.7317 0.0000 0.0000 34174.6437 -149170.8224 298.4557 -183345.4661 -149076.7719 299.8205 -186.9718 -150.8188 558124.6563 -6.2526 -6.3163 PRESSURE: 3611200 -290.094 -213.49 115.429 -213.49 -1.07658 -107.009 115.429 -107.008 176.483 GPRESSURE: 3611200 -210.755 -203.467 90.7856 -277.61 18.549 -73.5515 112.978 -84.3609 179.734 PRESSAVG: 3611200 10.7166 6.37878 36.9751 6.37882 37.7069 9.82824 36.975 9.8282 -31.1366 GPRESSAVG: 3611200 11.5074 6.67731 35.2934 8.02594 37.9321 12.168 36.0158 8.70887 -31.7982 TIMING: 3611200 CPU: 10465, 0.00288747/step Wall: 10465, 0.00288747/step, 1.11392 hours remaining, 211.953125 MB of memory in use. ENERGY: 3611200 763.5089 2036.5786 1947.3821 100.8044 -205988.2575 17690.5637 0.0000 0.0000 34148.7159 -149300.7039 298.2292 -183449.4198 -149200.1468 299.5358 -38.2293 -4.1572 555891.0106 5.7623 5.8805 PRESSURE: 3611400 -65.0346 42.4553 -4.36661 42.4544 -534.269 -61.157 -4.36618 -61.1566 90.3097 GPRESSURE: 3611400 -77.5567 30.0682 101.854 16.8816 -452.962 -51.651 -27.8026 -66.2276 117.478 PRESSAVG: 3611400 -28.226 36.2639 -30.8485 36.2639 -13.0855 -39.6832 -30.8484 -39.6831 48.3975 GPRESSAVG: 3611400 -29.5034 35.6631 -29.3445 35.1383 -12.7938 -41.8218 -29.9534 -37.9771 49.6319 TIMING: 3611400 CPU: 10465.6, 0.00290632/step Wall: 10465.6, 0.00290632/step, 1.12103 hours remaining, 211.953125 MB of memory in use. ENERGY: 3611400 724.0463 2074.3405 1933.3397 111.1514 -205902.3975 17347.2935 0.0000 0.0000 34489.7106 -149222.5154 301.2072 -183712.2260 -149126.6544 299.3309 -169.6645 -137.6803 557589.0935 2.3620 2.4449 PRESSURE: 3611600 42.0877 67.5549 85.6629 67.5545 42.3927 -77.0932 85.6622 -77.0913 64.6048 GPRESSURE: 3611600 137.335 132.737 33.0423 100.652 64.2049 -112.163 88.2422 -65.4545 52.8245 PRESSAVG: 3611600 30.9946 35.0274 23.7536 35.0273 -40.9738 5.30379 23.7535 5.30376 23.2845 GPRESSAVG: 3611600 32.9122 36.5678 24.0161 34.2397 -42.4308 7.29254 22.27 3.90585 22.698 TIMING: 3611600 CPU: 10466.2, 0.00289721/step Wall: 10466.2, 0.00289721/step, 1.11736 hours remaining, 211.953125 MB of memory in use. ENERGY: 3611600 722.8832 2112.0223 1943.9112 107.8564 -205992.4413 17711.7963 0.0000 0.0000 34194.3434 -149199.6286 298.6277 -183393.9720 -149110.1709 299.0168 49.6951 84.7881 558609.7403 4.4351 4.3931 PRESSURE: 3611800 -35.0571 128.569 -21.7132 128.57 -73.9285 69.1534 -21.7151 69.1516 -215.531 GPRESSURE: 3611800 14.836 131.924 -11.9968 71.5709 -93.1315 34.7493 -81.5149 143.717 -151.528 PRESSAVG: 3611800 109.151 58.12 -20.7048 58.1201 -69.4134 -24.3113 -20.7048 -24.3112 4.88871 GPRESSAVG: 3611800 108.34 57.4592 -19.0465 56.6386 -68.9144 -25.3978 -20.9791 -22.6273 5.40175 TIMING: 3611800 CPU: 10466.7, 0.00289465/step Wall: 10466.7, 0.00289465/step, 1.11621 hours remaining, 211.953125 MB of memory in use. ENERGY: 3611800 732.8781 2034.5679 1959.2135 102.8248 -206568.2202 17931.7540 0.0000 0.0000 34549.4003 -149257.5816 301.7285 -183806.9820 -149159.0726 299.2892 -108.1722 -76.6080 557440.8754 14.8755 14.9424 PRESSURE: 3612000 -28.1235 14.167 -201.674 14.1662 -221.475 -54.5485 -201.674 -54.5474 86.7352 GPRESSURE: 3612000 43.9623 86.8143 -194.675 -75.6325 -170.359 -61.1175 -185.979 30.9687 62.8669 PRESSAVG: 3612000 8.7757 55.0033 -26.7201 55.0033 -15.8512 4.44965 -26.72 4.44964 11.5843 GPRESSAVG: 3612000 9.29315 54.8496 -27.4946 55.1899 -16.2571 4.54467 -25.7422 2.90849 10.9882 TIMING: 3612000 CPU: 10467.3, 0.00288281/step Wall: 10467.3, 0.00288281/step, 1.11148 hours remaining, 211.953125 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: 3612000 705.0165 2084.6221 1983.6320 123.3449 -205777.7506 17559.4741 0.0000 0.0000 34113.1248 -149208.5361 297.9184 -183321.6609 -149107.5453 299.4585 -54.2879 -21.1766 556676.3514 1.5029 1.3414 PRESSURE: 3612200 -305.453 5.97583 14.4719 5.977 43.9565 -10.8895 14.4729 -10.8898 -139.149 GPRESSURE: 3612200 -249.741 -41.4912 86.1569 78.8666 97.9377 -19.5723 -24.9284 -49.3104 -154.503 PRESSAVG: 3612200 36.6047 -52.3086 -38.285 -52.3087 -44.0995 10.6853 -38.285 10.685 14.4431 GPRESSAVG: 3612200 35.2194 -52.9231 -35.7156 -51.5537 -43.4957 9.15994 -38.2665 12.0034 15.2184 TIMING: 3612200 CPU: 10467.9, 0.00288082/step Wall: 10467.9, 0.00288083/step, 1.11056 hours remaining, 211.953125 MB of memory in use. ENERGY: 3612200 707.1111 2084.4183 1932.5844 112.2330 -205595.4940 17520.6342 0.0000 0.0000 34091.1563 -149147.3569 297.7265 -183238.5131 -149050.1951 299.7034 -133.5485 -102.1019 558733.5003 2.3161 2.3140 LDB: ============= START OF LOAD BALANCING ============== 10471.3 LDB: ============== END OF LOAD BALANCING =============== 10471.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10471.3 LDB: ============= START OF LOAD BALANCING ============== 10471.6 LDB: Largest compute 4773 load 0.026659 is 22.6% of average load 0.117997 LDB: Average compute 0.001740 is 1.5% of average load 0.117997 LDB: TIME 10471.6 LOAD: AVG 0.117997 MAX 0.17937 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 10471.6 LOAD: AVG 0.117997 MAX 0.17937 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 10471.6 LOAD: AVG 0.117997 MAX 0.17937 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 10471.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10471.6 PRESSURE: 3612400 -95.4981 -122.332 -78.8056 -122.33 -107.648 -18.999 -78.8043 -18.9991 -73.7715 GPRESSURE: 3612400 -42.9871 -115.977 -27.449 -149.423 -116.916 -49.73 -168.832 24.5372 -21.8007 PRESSAVG: 3612400 -3.85775 7.07206 -46.2365 7.07201 -19.1277 -7.97636 -46.2363 -7.97639 46.4253 GPRESSAVG: 3612400 -3.49041 7.02766 -48.697 7.99862 -19.6512 -6.26341 -46.7971 -8.96252 46.0118 TIMING: 3612400 CPU: 10468.5, 0.0029428/step Wall: 10468.5, 0.0029428/step, 1.13429 hours remaining, 211.687500 MB of memory in use. ENERGY: 3612400 731.1055 2132.7456 1974.2402 123.2017 -205999.7176 17583.7654 0.0000 0.0000 34461.1678 -148993.4913 300.9579 -183454.6592 -148894.8486 299.7473 -92.3060 -60.5681 556728.1005 7.8133 7.6234 PRESSURE: 3612600 -8.54653 -38.6834 -145.052 -38.6842 -200.571 7.83953 -145.051 7.84049 -73.7936 GPRESSURE: 3612600 10.1995 -46.7349 -205.419 -53.1088 -147.344 31.0307 -48.2534 45.3609 -46.817 PRESSAVG: 3612600 -42.395 -52.4814 35.5504 -52.4814 40.6413 27.9885 35.5504 27.9885 60.9169 GPRESSAVG: 3612600 -42.0053 -51.8163 36.252 -52.1359 41.2848 27.1215 35.1741 28.5579 59.9618 TIMING: 3612600 CPU: 10469.1, 0.00289949/step Wall: 10469.1, 0.00289949/step, 1.11743 hours remaining, 211.757812 MB of memory in use. ENERGY: 3612600 719.8363 2114.8419 1951.7961 123.4899 -205973.8783 17480.3453 0.0000 0.0000 34565.8083 -149017.7604 301.8718 -183583.5687 -148918.0230 300.5122 -94.3037 -61.3206 556190.7254 19.7211 19.7471 PRESSURE: 3612800 87.9586 -76.2266 -62.2443 -76.2246 209.954 -132.794 -62.2431 -132.795 -23.1907 GPRESSURE: 3612800 95.8512 -23.0999 -72.9318 -108.229 256.005 -127.654 -37.3397 -146.875 24.7983 PRESSAVG: 3612800 -27.7113 -24.2611 12.1887 -24.2611 47.3064 19.2137 12.1888 19.2137 -31.1399 GPRESSAVG: 3612800 -27.2705 -23.0028 13.5579 -25.0295 46.2238 21.4503 11.8503 17.4284 -30.304 TIMING: 3612800 CPU: 10469.7, 0.00289904/step Wall: 10469.7, 0.00289904/step, 1.1171 hours remaining, 211.757812 MB of memory in use. ENERGY: 3612800 727.7236 2133.0705 1951.1870 108.9473 -205904.3357 17639.9726 0.0000 0.0000 34290.0699 -149053.3648 299.4637 -183343.4347 -148953.8185 300.8863 91.5738 125.5515 556854.3790 -3.8483 -3.7836 PRESSURE: 3613000 -299.494 131.388 138.478 131.388 -166.62 52.448 138.477 52.4466 -89.2525 GPRESSURE: 3613000 -267.309 80.9609 82.2166 154.597 -160.321 95.1606 152.076 92.3591 -20.8313 PRESSAVG: 3613000 7.32504 -13.8071 50.3647 -13.8072 -34.0046 -7.61282 50.3647 -7.61281 6.83406 GPRESSAVG: 3613000 6.72324 -15.7048 47.9824 -14.2388 -32.7068 -9.42775 52.8933 -6.61391 6.43984 TIMING: 3613000 CPU: 10470.2, 0.00290671/step Wall: 10470.2, 0.00290671/step, 1.11989 hours remaining, 211.757812 MB of memory in use. ENERGY: 3613000 758.4204 2137.2303 1925.4943 124.0567 -205763.7995 17466.7751 0.0000 0.0000 34250.6758 -149101.1468 299.1197 -183351.8227 -149005.2214 299.3043 -185.1220 -149.4871 558398.0816 -6.6152 -6.5146 PRESSURE: 3613200 10.7236 -111.71 -25.8876 -111.709 48.7597 172.712 -25.8864 172.713 -117.231 GPRESSURE: 3613200 50.2183 -99.4777 -83.7725 -72.7796 84.3685 81.1198 -29.0534 308.375 -104.519 PRESSAVG: 3613200 -36.9852 -20.4091 -50.835 -20.4091 -3.86397 69.8416 -50.835 69.8415 6.01576 GPRESSAVG: 3613200 -36.1814 -17.5871 -50.0181 -21.956 -5.53683 69.0818 -52.5529 71.1801 6.45758 TIMING: 3613200 CPU: 10470.8, 0.00288611/step Wall: 10470.8, 0.00288611/step, 1.11179 hours remaining, 211.757812 MB of memory in use. ENERGY: 3613200 719.6268 2094.2665 1969.3640 126.7342 -206254.5736 17719.2064 0.0000 0.0000 34427.4503 -149197.9255 300.6635 -183625.3757 -149098.8051 299.9019 -19.2491 10.0226 557082.8912 -11.6111 -11.7535 PRESSURE: 3613400 -285.187 -167.627 -63.4066 -167.628 -105.152 223.901 -63.4078 223.9 -313.185 GPRESSURE: 3613400 -249.682 -186.627 -95.0511 -182.529 -84.1502 142.875 50.4058 267.938 -289.951 PRESSAVG: 3613400 -15.745 -76.3223 -2.24359 -76.3223 24.6708 24.7838 -2.24368 24.7838 -39.167 GPRESSAVG: 3613400 -17.626 -78.9647 -1.90081 -74.6167 27.0332 26.1344 -1.71804 24.8024 -39.3205 TIMING: 3613400 CPU: 10471.4, 0.00289065/step Wall: 10471.4, 0.00289065/step, 1.11338 hours remaining, 211.757812 MB of memory in use. ENERGY: 3613400 762.6394 2170.2211 1951.4370 123.4412 -206152.7027 17627.7114 0.0000 0.0000 34320.9075 -149196.3449 299.7330 -183517.2525 -149097.3652 299.5799 -234.5079 -207.9277 557519.7948 -10.0804 -9.9711 PRESSURE: 3613600 77.056 179.678 47.0896 179.68 192.556 33.6279 47.0891 33.6276 205.304 GPRESSURE: 3613600 78.9342 140.861 107.172 130.129 243.832 17.1672 90.2542 70.5563 255.536 PRESSAVG: 3613600 -98.9691 -25.1016 -11.7779 -25.1015 75.7885 -32.1731 -11.7778 -32.173 33.8271 GPRESSAVG: 3613600 -96.9393 -23.3592 -13.5978 -25.7586 74.8641 -31.9025 -10.5414 -34.5036 33.1295 TIMING: 3613600 CPU: 10472, 0.00287949/step Wall: 10472, 0.00287949/step, 1.10892 hours remaining, 211.757812 MB of memory in use. ENERGY: 3613600 761.4140 2133.0799 1952.8386 107.7222 -206515.2336 18044.9978 0.0000 0.0000 34330.2086 -149184.9726 299.8142 -183515.1811 -149095.1850 299.8635 158.3052 192.7675 556743.6110 3.5488 3.6848 PRESSURE: 3613800 -169.776 130.655 29.2508 130.655 -197.262 -193.953 29.25 -193.953 35.8276 GPRESSURE: 3613800 -134.835 130.691 55.1568 86.2714 -156.906 -166.641 4.66066 -144.075 61.0563 PRESSAVG: 3613800 -84.5094 29.0801 6.60145 29.08 14.9551 16.0195 6.6014 16.0196 76.3812 GPRESSAVG: 3613800 -84.5822 27.6786 10.1589 30.456 15.7898 15.9635 5.02505 17.4835 76.0235 TIMING: 3613800 CPU: 10472.5, 0.00286431/step Wall: 10472.5, 0.00286431/step, 1.10292 hours remaining, 211.757812 MB of memory in use. ENERGY: 3613800 769.4592 2092.4032 1933.8274 122.2767 -206026.5441 17579.8858 0.0000 0.0000 34163.5595 -149365.1324 298.3589 -183528.6919 -149265.5762 299.2251 -110.4034 -76.8952 556061.6585 2.2757 2.4103 PRESSURE: 3614000 -10.9604 -6.8303 -120.874 -6.83112 67.5548 -34.2279 -120.874 -34.2279 4.06625 GPRESSURE: 3614000 17.1858 28.1297 -201.406 -20.6175 95.5603 -46.1481 -50.5242 -35.9843 44.7724 PRESSAVG: 3614000 5.97807 10.7981 -1.01095 10.7981 -50.8531 -5.81744 -1.0109 -5.81734 34.6861 GPRESSAVG: 3614000 5.78754 12.7456 -2.89685 7.74005 -50.8211 -7.28417 -0.290293 -6.69784 33.8863 TIMING: 3614000 CPU: 10473.1, 0.00288774/step Wall: 10473.1, 0.00288774/step, 1.11178 hours remaining, 211.757812 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: 3614000 781.6146 2152.5310 1944.8760 103.1699 -206414.1481 17897.7693 0.0000 0.0000 34178.9797 -149355.2075 298.4935 -183534.1872 -149267.2028 299.0419 20.2202 52.5062 556262.9404 -3.3963 -3.7158 PRESSURE: 3614200 -126.84 4.08039 100.063 4.08075 -188.695 -27.2059 100.063 -27.2071 -133.26 GPRESSURE: 3614200 -82.2442 2.72367 90.0793 -9.90633 -183.522 -24.3038 78.3055 27.0022 -80.802 PRESSAVG: 3614200 23.3465 -18.4991 22.8286 -18.499 33.4467 10.4761 22.8286 10.4761 -21.336 GPRESSAVG: 3614200 22.7473 -20.3112 24.3923 -15.9871 32.926 9.28081 19.8628 11.5 -20.2745 TIMING: 3614200 CPU: 10473.7, 0.0028614/step Wall: 10473.7, 0.0028614/step, 1.10148 hours remaining, 211.757812 MB of memory in use. ENERGY: 3614200 749.5778 2100.4036 1974.5320 105.3445 -206178.7871 17737.1566 0.0000 0.0000 34148.6047 -149363.1679 298.2283 -183511.7726 -149262.9910 299.3049 -149.5982 -115.5227 556987.5319 11.8191 11.7996 PRESSURE: 3614400 48.3051 -135.403 39.281 -135.403 -259.461 206.338 39.2821 206.338 42.9643 GPRESSURE: 3614400 103.638 -178.797 -27.3469 -108.509 -247.352 122.624 -28.297 171.838 82.36 PRESSAVG: 3614400 69.3783 -1.64445 25.6026 -1.64444 -23.1506 31.8394 25.6025 31.8394 -29.4566 GPRESSAVG: 3614400 68.5671 -2.06365 23.7832 -1.88138 -23.2302 32.2721 27.2112 31.1879 -28.6933 TIMING: 3614400 CPU: 10474.3, 0.00286625/step Wall: 10474.3, 0.00286625/step, 1.10319 hours remaining, 211.757812 MB of memory in use. ENERGY: 3614400 781.4810 2165.7418 1950.6617 112.9913 -206219.0294 17811.1585 0.0000 0.0000 34237.4986 -149159.4966 299.0046 -183396.9952 -149063.2400 298.9514 -56.0639 -20.4511 555977.8277 5.5904 5.5479 PRESSURE: 3614600 40.6305 -68.2447 73.568 -68.2448 9.66316 -83.2407 73.5676 -83.2411 89.471 GPRESSURE: 3614600 16.9408 -113.113 -4.14366 -105.773 75.8419 -8.70489 92.6493 -153.984 155.51 PRESSAVG: 3614600 4.5757 18.562 17.5033 18.5621 -15.9721 35.1334 17.5034 35.1333 13.9388 GPRESSAVG: 3614600 5.39473 20.5387 16.2546 16.2746 -16.0768 34.8316 18.6276 34.9111 13.0667 TIMING: 3614600 CPU: 10474.8, 0.00286057/step Wall: 10474.8, 0.00286057/step, 1.10084 hours remaining, 211.757812 MB of memory in use. ENERGY: 3614600 769.0322 2095.1635 1936.2300 102.8626 -206524.3701 17963.3351 0.0000 0.0000 34550.1218 -149107.6248 301.7348 -183657.7466 -149016.5802 300.2186 46.5882 82.7641 555745.2941 0.8475 0.7949 PRESSURE: 3614800 -135.518 91.3042 -49.0733 91.3031 -172.435 1.73475 -49.0731 1.73294 -159.812 GPRESSURE: 3614800 -61.7322 50.0679 -47.5391 91.2615 -110.871 35.253 -72.8737 -189.811 -186.991 PRESSAVG: 3614800 -33.8712 43.771 -29.1426 43.771 -36.6946 -4.90734 -29.1426 -4.90745 54.8807 GPRESSAVG: 3614800 -33.7508 42.3971 -29.2242 45.2143 -37.096 -4.73515 -30.6866 -4.65187 54.9154 TIMING: 3614800 CPU: 10475.4, 0.00287485/step Wall: 10475.4, 0.00287485/step, 1.10618 hours remaining, 211.757812 MB of memory in use. ENERGY: 3614800 768.4080 2092.4306 1919.4954 108.5866 -205939.8373 17583.8716 0.0000 0.0000 34316.4074 -149150.6378 299.6937 -183467.0452 -149052.9433 299.8285 -155.9218 -119.8646 557303.8712 -5.2284 -5.3104 PRESSURE: 3615000 20.715 -82.0161 -11.4784 -82.0154 -158.499 82.8111 -11.4774 82.8123 0.2664 GPRESSURE: 3615000 61.8218 -133.577 29.3283 -82.0333 -139.727 157.487 -46.2596 37.7064 41.2366 PRESSAVG: 3615000 35.5958 -4.24532 -5.38539 -4.24537 -30.8411 -33.6548 -5.38555 -33.6548 35.108 GPRESSAVG: 3615000 35.2116 -4.23694 -1.52541 -3.13009 -29.9976 -31.6875 -3.85043 -36.0088 34.4942 TIMING: 3615000 CPU: 10476, 0.00286655/step Wall: 10476, 0.00286655/step, 1.10283 hours remaining, 211.757812 MB of memory in use. ENERGY: 3615000 779.3411 2084.4024 1942.3715 116.4925 -206163.7103 17746.8888 0.0000 0.0000 34288.4948 -149205.7192 299.4500 -183494.2140 -149110.3374 299.3077 -45.8391 -12.2228 556286.3065 13.2876 13.2361 PRESSURE: 3615200 -16.614 163.859 68.4914 163.858 -616.15 0.983401 68.491 0.984969 -53.6242 GPRESSURE: 3615200 -15.4481 149.329 69.0529 158.022 -530.516 2.91655 8.56184 -30.7385 -45.9692 PRESSAVG: 3615200 96.3304 13.7929 1.28629 13.7928 -63.1784 20.7336 1.28627 20.7336 28.2466 GPRESSAVG: 3615200 96.7812 14.1263 0.530114 12.7597 -63.7575 17.5264 1.54574 23.7756 28.2676 TIMING: 3615200 CPU: 10476.6, 0.00285658/step Wall: 10476.6, 0.00285658/step, 1.09883 hours remaining, 211.757812 MB of memory in use. ENERGY: 3615200 827.0171 2095.0352 1953.5720 120.0452 -206003.7884 17556.7261 0.0000 0.0000 34198.3612 -149253.0315 298.6628 -183451.3927 -149162.2297 299.2802 -228.7960 -197.3111 558485.0040 20.4662 20.4304 PRESSURE: 3615400 -144.948 26.3807 -192.224 26.3807 -72.1413 22.8044 -192.224 22.8048 121.883 GPRESSURE: 3615400 -104.887 19.054 -238.479 40.257 -54.4766 4.38422 -111.649 6.93949 159.21 PRESSAVG: 3615400 38.3316 67.211 -25.7665 67.211 -4.85491 -14.4296 -25.7664 -14.4295 -22.4701 GPRESSAVG: 3615400 37.6655 66.3326 -26.3489 66.9845 -4.38133 -12.8992 -26.6622 -14.1729 -22.0938 TIMING: 3615400 CPU: 10477.1, 0.00287791/step Wall: 10477.1, 0.00287791/step, 1.10687 hours remaining, 211.757812 MB of memory in use. ENERGY: 3615400 753.5625 2129.8462 1941.8963 110.4907 -206171.1901 17771.7588 0.0000 0.0000 34288.3899 -149175.2457 299.4490 -183463.6356 -149079.6138 299.0205 -31.7355 -0.0511 558585.3913 3.6688 3.7301 PRESSURE: 3615600 -34.2479 56.4699 115.952 56.4716 -62.4613 90.6572 115.953 90.6558 -23.2936 GPRESSURE: 3615600 7.9402 -33.0618 195.526 99.4672 -61.0386 34.5199 -14.3663 120.65 29.8588 PRESSAVG: 3615600 -62.5593 26.751 -13.3959 26.7512 22.8547 -10.0548 -13.3958 -10.0547 54.3911 GPRESSAVG: 3615600 -61.2149 27.1574 -12.9489 26.8992 22.9969 -9.39317 -11.7807 -12.3272 52.9248 TIMING: 3615600 CPU: 10477.7, 0.00290144/step Wall: 10477.7, 0.00290144/step, 1.11577 hours remaining, 211.757812 MB of memory in use. ENERGY: 3615600 772.1482 2084.2812 1944.2582 110.9609 -206146.1650 17801.8641 0.0000 0.0000 34106.8760 -149325.7763 297.8638 -183432.6523 -149232.6386 299.4409 -40.0009 -7.7465 558224.2593 4.8955 4.9023 PRESSURE: 3615800 -65.8884 68.4123 -127.965 68.41 -26.4544 -128.514 -127.964 -128.514 -57.1102 GPRESSURE: 3615800 -13.224 154.047 -140.869 15.8836 14.3754 -48.5456 -101.062 -79.0763 -53.2126 PRESSAVG: 3615800 -13.808 32.5087 -18.9546 32.5088 35.6822 -34.0337 -18.9545 -34.0336 -19.8578 GPRESSAVG: 3615800 -13.2273 33.1601 -20.4448 33.6137 35.2202 -34.8454 -18.8466 -32.2548 -20.3814 TIMING: 3615800 CPU: 10478.3, 0.00290436/step Wall: 10478.3, 0.00290436/step, 1.11673 hours remaining, 211.757812 MB of memory in use. ENERGY: 3615800 731.3581 2127.0552 1958.7256 112.2279 -206216.7801 17821.7212 0.0000 0.0000 34132.6434 -149333.0487 298.0889 -183465.6921 -149230.4051 298.2509 -49.8177 -17.3538 558273.3031 0.6721 0.5372 PRESSURE: 3616000 -27.7386 13.738 -79.9095 13.7376 -348.548 74.4253 -79.9106 74.424 319.668 GPRESSURE: 3616000 -4.16487 -7.87029 -44.0596 -24.0061 -288.58 122.205 -84.2293 -14.6307 332.954 PRESSAVG: 3616000 -41.1929 63.1307 -59.6876 63.1308 63.3295 14.4083 -59.6875 14.4083 -22.1455 GPRESSAVG: 3616000 -41.5855 65.7782 -60.4731 62.1595 62.575 17.6626 -60.7563 13.4071 -21.3318 TIMING: 3616000 CPU: 10478.9, 0.0028825/step Wall: 10478.9, 0.0028825/step, 1.10816 hours remaining, 211.757812 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: 3616000 705.7724 2085.0418 1947.4698 109.1698 -206405.0253 17984.9494 0.0000 0.0000 34159.5562 -149413.0658 298.3239 -183572.6220 -149313.9108 298.6823 -18.8728 13.4031 558726.1116 -0.0029 -0.1141 PRESSURE: 3616200 35.3881 -29.1529 -36.1475 -29.1532 119.09 90.5869 -36.1478 90.588 160.661 GPRESSURE: 3616200 100.239 -7.32893 -61.172 -26.0274 184.259 160.216 51.8195 60.1007 130.028 PRESSAVG: 3616200 -25.3851 4.58768 29.993 4.58764 6.54301 57.6662 29.993 57.6661 15.0104 GPRESSAVG: 3616200 -26.6943 1.28378 31.092 6.88846 7.23385 56.3344 30.1705 57.464 15.2321 TIMING: 3616200 CPU: 10479.4, 0.00288996/step Wall: 10479.4, 0.00288996/step, 1.11087 hours remaining, 211.757812 MB of memory in use. ENERGY: 3616200 724.1740 2112.3154 1965.1598 115.5183 -206788.8584 18242.6723 0.0000 0.0000 34348.8496 -149280.1689 299.9770 -183629.0185 -149185.6449 298.6217 105.0463 138.1754 557841.5944 -1.2772 -1.4094 LDB: ============= START OF LOAD BALANCING ============== 10482.8 LDB: ============== END OF LOAD BALANCING =============== 10482.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10482.8 LDB: ============= START OF LOAD BALANCING ============== 10483.1 LDB: Largest compute 4773 load 0.025717 is 21.8% of average load 0.117936 LDB: Average compute 0.001732 is 1.5% of average load 0.117936 LDB: TIME 10483.1 LOAD: AVG 0.117936 MAX 0.182987 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.781 MB LDB: TIME 10483.1 LOAD: AVG 0.117936 MAX 0.182987 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.023 MB LDB: TIME 10483.1 LOAD: AVG 0.117936 MAX 0.182987 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10483.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10483.1 PRESSURE: 3616400 31.9338 175.336 33.3275 175.336 -42.6498 -31.3302 33.3267 -31.3309 -61.4008 GPRESSURE: 3616400 76.6359 227.978 12.7193 129.969 -37.5981 -55.2172 40.3095 60.6835 -14.3554 PRESSAVG: 3616400 0.633295 -57.0998 -0.273865 -57.0997 -29.4814 41.4739 -0.273863 41.4738 -6.05804 GPRESSAVG: 3616400 0.982286 -53.8576 -1.13799 -58.6597 -29.6939 38.9 -0.556961 43.3879 -6.24096 TIMING: 3616400 CPU: 10480, 0.00296592/step Wall: 10480, 0.00296592/step, 1.1399 hours remaining, 210.917969 MB of memory in use. ENERGY: 3616400 736.1123 2068.7858 1968.3324 112.1691 -206073.8075 17889.2784 0.0000 0.0000 34235.8914 -149063.2380 298.9906 -183299.1295 -148965.7360 299.0232 -24.0390 8.2275 558710.1054 -11.6354 -11.6509 PRESSURE: 3616600 -46.96 57.9769 165.221 57.9777 81.0336 -193.461 165.22 -193.462 184.116 GPRESSURE: 3616600 21.5561 1.92961 224.228 37.7792 145.091 -144.122 115.64 -224.243 159.114 PRESSAVG: 3616600 -72.7327 29.8264 -15.1721 29.8264 -49.7664 -33.852 -15.1721 -33.8521 102.4 GPRESSAVG: 3616600 -72.1518 29.1562 -15.8932 29.6788 -51.0224 -31.6388 -14.7611 -36.4787 103.102 TIMING: 3616600 CPU: 10480.6, 0.0028928/step Wall: 10480.6, 0.0028928/step, 1.11164 hours remaining, 210.917969 MB of memory in use. ENERGY: 3616600 718.9519 2126.7223 1978.0547 120.9317 -206602.4417 17998.4516 0.0000 0.0000 34576.8684 -149082.4612 301.9684 -183659.3295 -148978.9851 299.6871 72.7299 108.5870 556768.8484 -6.6997 -6.6907 PRESSURE: 3616800 -149.972 30.9032 -36.4078 30.9027 -138.855 -114.245 -36.4079 -114.247 -210.506 GPRESSURE: 3616800 -62.1594 9.83361 -105.219 27.3 -112.906 -170.691 -11.8412 -30.0771 -229.301 PRESSAVG: 3616800 49.5017 30.5584 7.48785 30.5585 -23.2396 -27.4168 7.4878 -27.4168 -22.4365 GPRESSAVG: 3616800 49.5603 28.9822 8.49468 31.799 -24.0575 -29.4685 7.22772 -25.2122 -21.9302 TIMING: 3616800 CPU: 10481.2, 0.00287385/step Wall: 10481.2, 0.00287385/step, 1.1042 hours remaining, 210.917969 MB of memory in use. ENERGY: 3616800 771.5229 2074.2055 1954.7861 104.2382 -205941.9718 17613.0909 0.0000 0.0000 34338.1580 -149085.9702 299.8837 -183424.1281 -148987.2321 299.9802 -166.4444 -134.7888 558109.1427 1.2752 1.1909 PRESSURE: 3617000 180.187 121.046 26.8365 121.046 -37.6841 110.193 26.8373 110.195 -20.2589 GPRESSURE: 3617000 288.778 133.631 14.2435 82.5638 -20.9157 98.936 28.2109 87.8489 -39.0407 PRESSAVG: 3617000 -39.9949 28.3535 -28.9978 28.3535 3.16423 5.11969 -28.9976 5.11969 48.8829 GPRESSAVG: 3617000 -40.4051 30.7806 -28.2147 25.5988 5.0363 7.10076 -27.5522 5.56812 48.1527 TIMING: 3617000 CPU: 10481.8, 0.00287154/step Wall: 10481.8, 0.00287154/step, 1.10315 hours remaining, 210.917969 MB of memory in use. ENERGY: 3617000 715.6485 2052.9493 1952.6870 118.7306 -206249.3079 17812.7980 0.0000 0.0000 34355.2904 -149241.2041 300.0333 -183596.4946 -149151.1811 299.3807 40.7481 76.2738 557826.3215 4.0174 4.2613 PRESSURE: 3617200 -27.2141 49.9545 -57.8374 49.9543 -202.318 8.83207 -57.8379 8.83202 109.31 GPRESSURE: 3617200 -25.5217 160.793 3.98233 -30.9784 -117.665 15.5565 -74.873 39.4147 102.854 PRESSAVG: 3617200 -19.0669 -0.865569 -0.274424 -0.865679 -45.0156 -25.761 -0.274407 -25.7611 58.3678 GPRESSAVG: 3617200 -18.0746 -2.64503 -1.22325 1.48791 -46.0362 -24.5081 -0.23756 -29.1088 57.9185 TIMING: 3617200 CPU: 10482.3, 0.00286473/step Wall: 10482.3, 0.00286473/step, 1.10037 hours remaining, 210.917969 MB of memory in use. ENERGY: 3617200 715.2837 2120.6730 1956.8167 114.8524 -206089.9861 17753.1908 0.0000 0.0000 34184.9047 -149244.2647 298.5453 -183429.1695 -149143.5641 299.3025 -40.0742 -13.4442 558429.6955 -1.9049 -2.0641 PRESSURE: 3617400 -65.2417 26.893 116.965 26.8933 -84.4065 -50.124 116.964 -50.1244 45.8127 GPRESSURE: 3617400 -52.1842 30.7881 54.9352 -0.248555 -50.479 62.3295 261.42 -116.363 80.0304 PRESSAVG: 3617400 -51.8101 3.01534 36.0141 3.01537 -0.336752 1.79746 36.0141 1.7975 64.4679 GPRESSAVG: 3617400 -52.0699 2.99508 34.8187 3.7353 0.0159568 -0.710843 36.8485 4.8322 64.7715 TIMING: 3617400 CPU: 10482.9, 0.00287255/step Wall: 10482.9, 0.00287255/step, 1.10322 hours remaining, 210.917969 MB of memory in use. ENERGY: 3617400 774.6356 2165.4172 1960.4214 110.6299 -206564.9018 17934.7251 0.0000 0.0000 34498.8505 -149120.2222 301.2870 -183619.0727 -149023.0831 299.8169 -34.6118 -7.5442 557851.4361 4.1070 4.2392 PRESSURE: 3617600 182.873 254.467 33.8486 254.467 156.326 -157.648 33.8482 -157.647 115.79 GPRESSURE: 3617600 271.361 236.463 41.9837 263.707 132.358 -158.627 -18.8725 -210.346 149.578 PRESSAVG: 3617600 3.46056 34.3773 53.9938 34.3773 19.1233 24.9891 53.9938 24.9891 -5.03897 GPRESSAVG: 3617600 3.44878 34.0446 56.8085 33.118 18.0652 26.0271 52.5722 24.9278 -4.91965 TIMING: 3617600 CPU: 10483.5, 0.00287765/step Wall: 10483.5, 0.00287765/step, 1.10502 hours remaining, 210.917969 MB of memory in use. ENERGY: 3617600 748.0114 2155.1617 1930.5394 109.5513 -206209.7853 17979.4666 0.0000 0.0000 34091.3882 -149195.6667 297.7286 -183287.0548 -149095.5173 299.9835 151.6631 184.4322 557522.5530 5.8483 5.5315 PRESSURE: 3617800 -157.37 -67.4152 -93.0284 -67.4149 -91.1671 21.2681 -93.0289 21.2663 -165.687 GPRESSURE: 3617800 -91.868 -98.1189 -5.02835 -52.1302 -96.5803 54.847 -213.648 -33.8379 -127.601 PRESSAVG: 3617800 -26.0859 45.1448 28.567 45.1448 21.285 -25.8942 28.567 -25.8942 -7.31205 GPRESSAVG: 3617800 -26.3354 46.1025 27.0384 44.4929 20.882 -25.3559 30.1129 -25.0342 -6.71197 TIMING: 3617800 CPU: 10484.1, 0.00290601/step Wall: 10484.1, 0.00290601/step, 1.11575 hours remaining, 210.917969 MB of memory in use. ENERGY: 3617800 781.1303 2112.5500 1947.4296 97.2150 -206121.8021 17625.9358 0.0000 0.0000 34354.4940 -149203.0473 300.0263 -183557.5413 -149090.7075 299.7957 -138.0749 -105.3498 557128.8723 -4.0376 -4.0551 PRESSURE: 3618000 63.6013 7.68728 34.5181 7.68693 -99.0739 88.2256 34.5178 88.2259 -159.895 GPRESSURE: 3618000 49.1999 35.4142 -32.4015 0.00472298 -11.4106 64.8321 45.6271 2.11635 -136.482 PRESSAVG: 3618000 19.0919 -49.4424 -34.3781 -49.4424 -55.6293 54.1086 -34.3782 54.1086 -11.7438 GPRESSAVG: 3618000 20.4402 -49.3161 -33.5333 -49.7166 -56.3156 54.1595 -34.3465 51.3141 -12.945 TIMING: 3618000 CPU: 10484.6, 0.00291026/step Wall: 10484.6, 0.00291026/step, 1.11722 hours remaining, 210.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3618000 756.3789 2176.2275 1936.8746 102.1098 -206295.7537 17843.0103 0.0000 0.0000 34322.3255 -149158.8271 299.7454 -183481.1527 -149060.0183 299.3147 -65.1226 -32.8976 558391.0807 -16.0937 -16.2735 PRESSURE: 3618200 -286.349 52.8557 48.3536 52.8553 191.083 -34.0463 48.3535 -34.0484 -307.764 GPRESSURE: 3618200 -247.368 80.2043 121.462 70.0435 223.978 -187.543 -52.5432 54.6018 -273.667 PRESSAVG: 3618200 -2.78411 -27.7499 -18.996 -27.7498 1.24738 32.8501 -18.996 32.8503 -2.46057 GPRESSAVG: 3618200 -4.72865 -28.7808 -21.3356 -25.967 2.22395 31.0729 -19.1949 35.1074 -0.964597 TIMING: 3618200 CPU: 10485.2, 0.00288263/step Wall: 10485.2, 0.00288263/step, 1.10645 hours remaining, 210.917969 MB of memory in use. ENERGY: 3618200 757.4902 2104.7264 1948.0393 124.3508 -206153.8579 17717.5905 0.0000 0.0000 34209.1832 -149292.4776 298.7573 -183501.6608 -149198.7775 299.9379 -134.3433 -99.0191 557989.2918 -1.3324 -1.1564 PRESSURE: 3618400 249.04 127.296 115.184 127.297 147.121 -149.296 115.184 -149.294 225.289 GPRESSURE: 3618400 300.618 182.877 171.743 104.98 135.209 -71.8867 100.805 -224.729 283.449 PRESSAVG: 3618400 -39.2407 -28.7036 34.3531 -28.7036 13.1899 11.1492 34.353 11.1493 53.7951 GPRESSAVG: 3618400 -38.157 -27.269 36.3536 -30.0591 13.972 12.1317 33.8535 9.87285 52.1474 TIMING: 3618400 CPU: 10485.8, 0.0028833/step Wall: 10485.8, 0.0028833/step, 1.10655 hours remaining, 210.917969 MB of memory in use. ENERGY: 3618400 703.5414 2093.5679 1947.9953 124.6119 -206398.9615 17984.6197 0.0000 0.0000 34265.8979 -149278.7274 299.2526 -183544.6253 -149186.6919 298.7314 207.1499 239.7586 556934.7757 9.2481 9.3208 PRESSURE: 3618600 71.5726 -55.4231 -61.0582 -55.4233 60.056 -110.406 -61.0579 -110.407 -19.2296 GPRESSURE: 3618600 128.04 -96.5229 -17.6082 -53.9793 76.7884 -97.0992 -104.472 -178.227 7.43265 PRESSAVG: 3618600 66.2261 -62.8047 69.1278 -62.8047 -70.3864 -11.1354 69.1278 -11.1355 -12.5627 GPRESSAVG: 3618600 65.2249 -66.4051 68.9286 -60.9727 -69.852 -12.3949 67.2637 -8.16798 -12.1303 TIMING: 3618600 CPU: 10486.4, 0.00289784/step Wall: 10486.4, 0.00289784/step, 1.11196 hours remaining, 210.917969 MB of memory in use. ENERGY: 3618600 741.2853 2115.8808 1943.7410 115.7310 -206146.7734 17692.1408 0.0000 0.0000 34312.4323 -149225.5622 299.6590 -183537.9945 -149124.3049 299.4248 37.4663 70.7535 556663.7919 -5.5743 -5.5858 PRESSURE: 3618800 63.4634 -47.3562 -6.19748 -47.3564 -258.892 72.1104 -6.19833 72.1104 109.473 GPRESSURE: 3618800 78.5909 28.5762 -39.1283 -70.387 -202.551 80.2002 -19.1596 73.3606 129.702 PRESSAVG: 3618800 39.6812 -47.8173 -0.803619 -47.8172 -51.0409 3.78939 -0.803618 3.7893 8.51576 GPRESSAVG: 3618800 40.3 -46.6361 0.226506 -47.8486 -52.4999 3.95747 -0.25473 2.28007 9.30057 TIMING: 3618800 CPU: 10487, 0.00289408/step Wall: 10487, 0.00289408/step, 1.11036 hours remaining, 210.917969 MB of memory in use. ENERGY: 3618800 765.6166 2130.3193 1952.5222 117.0592 -206101.1502 17837.9812 0.0000 0.0000 34138.9847 -149158.6671 298.1442 -183297.6518 -149067.7823 299.5814 -28.6520 1.9139 557705.9357 -0.9480 -0.9664 PRESSURE: 3619000 100.676 53.1204 12.5794 53.1202 -152.745 -27.9514 12.5786 -27.9506 7.29825 GPRESSURE: 3619000 71.4663 31.8503 -15.9309 66.4549 -127.892 -30.801 6.11713 1.4969 100.968 PRESSAVG: 3619000 -16.2352 -30.1652 -9.67275 -30.1651 -10.6474 -9.33831 -9.67273 -9.33842 -9.37366 GPRESSAVG: 3619000 -16.8473 -30.093 -10.4993 -30.4277 -11.1178 -10.0222 -9.86662 -7.02276 -8.06525 TIMING: 3619000 CPU: 10487.5, 0.0028947/step Wall: 10487.5, 0.0028947/step, 1.11044 hours remaining, 210.917969 MB of memory in use. ENERGY: 3619000 734.5130 2120.0244 1972.1999 112.2780 -206094.5582 17883.9763 0.0000 0.0000 34333.6120 -148937.9546 299.8440 -183271.5666 -148836.0522 299.6153 -14.9237 14.8476 559035.4104 -12.0854 -12.0101 PRESSURE: 3619200 -385.407 -4.88944 13.3219 -4.88924 -40.7372 85.1138 13.3228 85.1136 -117.607 GPRESSURE: 3619200 -403.105 9.01182 29.9345 15.6 8.17973 113.536 87.3046 100.22 -49.7035 PRESSAVG: 3619200 24.8516 9.58156 -29.2575 9.58149 12.6282 0.853608 -29.2576 0.85361 11.632 GPRESSAVG: 3619200 25.0385 12.1021 -28.6104 9.46121 14.3101 1.06833 -28.3482 -2.00002 9.37691 TIMING: 3619200 CPU: 10488.1, 0.00288587/step Wall: 10488.1, 0.00288587/step, 1.10689 hours remaining, 210.917969 MB of memory in use. ENERGY: 3619200 768.4356 2031.2552 1954.6238 118.7902 -206239.0728 17790.5557 0.0000 0.0000 34647.0085 -148928.4038 302.5809 -183575.4123 -148827.4726 300.0047 -181.2506 -148.2095 559719.8397 16.3706 16.2418 PRESSURE: 3619400 -62.0224 -32.5819 -54.6692 -32.5828 -185.96 -104.449 -54.6698 -104.448 -171.944 GPRESSURE: 3619400 -16.2466 -38.9276 -38.4764 -70.2113 -166.774 -154.434 -60.0836 -88.5549 -126.32 PRESSAVG: 3619400 -30.6137 -0.868899 -11.7637 -0.868932 -52.2148 -37.0282 -11.7637 -37.0281 78.7934 GPRESSAVG: 3619400 -30.1376 -2.8453 -12.0037 0.209477 -52.512 -36.1158 -12.9786 -36.5245 78.3316 TIMING: 3619400 CPU: 10488.7, 0.00287846/step Wall: 10488.7, 0.00287846/step, 1.10389 hours remaining, 210.917969 MB of memory in use. ENERGY: 3619400 738.6311 2114.7397 1957.8832 116.0664 -205935.3800 17637.2610 0.0000 0.0000 34418.1500 -148952.6485 300.5823 -183370.7985 -148859.2206 299.6725 -139.9756 -103.1137 558974.8369 -1.3450 -1.4393 PRESSURE: 3619600 18.5714 -125.702 169.315 -125.701 114.44 134.918 169.315 134.917 -88.4572 GPRESSURE: 3619600 25.6083 -112.29 192.584 -180.903 154.231 91.9422 130.686 102.806 -31.9158 PRESSAVG: 3619600 -39.311 3.14595 -4.37153 3.14604 52.0166 -4.59824 -4.37148 -4.59834 -60.3426 GPRESSAVG: 3619600 -39.8413 4.3188 -6.00228 1.65191 51.7663 -4.01524 -3.3366 -4.29834 -59.3178 TIMING: 3619600 CPU: 10489.3, 0.0028909/step Wall: 10489.3, 0.0028909/step, 1.1085 hours remaining, 210.917969 MB of memory in use. ENERGY: 3619600 733.1115 2090.6176 1959.2936 109.9736 -206003.1934 17823.4738 0.0000 0.0000 34690.5565 -148596.1668 302.9613 -183286.7233 -148499.2995 299.7655 14.8514 49.3080 558331.3222 -15.8790 -15.7976 PRESSURE: 3619800 -68.1152 -34.8009 112.711 -34.8008 15.3728 34.7556 112.71 34.7564 116.31 GPRESSURE: 3619800 -59.7046 19.788 54.5164 -34.5347 72.0383 16.5738 127.668 66.6031 159.763 PRESSAVG: 3619800 -20.1935 -27.9581 29.2027 -27.9581 -55.4718 30.0673 29.2027 30.0672 76.7851 GPRESSAVG: 3619800 -20.2622 -28.9513 30.8735 -27.7002 -56.8399 28.9437 29.8484 30.3118 77.4023 TIMING: 3619800 CPU: 10489.9, 0.00291259/step Wall: 10489.9, 0.00291259/step, 1.11665 hours remaining, 210.917969 MB of memory in use. ENERGY: 3619800 735.4812 2046.0401 1920.2133 102.9995 -206060.4700 17932.5749 0.0000 0.0000 34465.4051 -148857.7558 300.9950 -183323.1609 -148755.5491 300.4776 21.1893 57.3657 558208.8610 0.3733 0.1001 PRESSURE: 3620000 170.791 -64.5985 -35.245 -64.6 94.8775 -21.0722 -35.2445 -21.0739 134.48 GPRESSURE: 3620000 207.62 -25.8996 -101.823 -137.18 137.956 -94.5635 -17.9939 -96.282 162.056 PRESSAVG: 3620000 -27.4895 20.2473 -13.97 20.2472 83.3095 32.8622 -13.97 32.8621 -43.4868 GPRESSAVG: 3620000 -27.5117 20.3941 -12.8825 22.3144 83.769 33.9964 -16.2284 30.8098 -43.4986 TIMING: 3620000 CPU: 10490.4, 0.00289608/step Wall: 10490.4, 0.00289608/step, 1.11016 hours remaining, 210.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3620000 724.8000 2064.4885 1948.6774 106.1215 -206182.2145 17955.9000 0.0000 0.0000 34331.1195 -149051.1077 299.8222 -183382.2272 -148957.8947 299.7976 133.3830 169.2105 557139.0974 4.1110 4.2529 PRESSURE: 3620200 -42.1207 201.353 -26.7467 201.355 1.79672 -12.3641 -26.7467 -12.363 -72.1804 GPRESSURE: 3620200 49.3681 177.113 -127.109 149.908 -42.8809 65.7487 -54.6207 -146.683 -14.006 PRESSAVG: 3620200 -28.8382 -56.3611 -68.1312 -56.361 39.7947 17.7732 -68.1313 17.7734 3.73445 GPRESSAVG: 3620200 -28.7224 -56.0637 -70.0102 -59.6678 40.6118 18.1438 -66.7036 19.602 2.24789 TIMING: 3620200 CPU: 10491, 0.00287917/step Wall: 10491, 0.00287917/step, 1.10352 hours remaining, 210.917969 MB of memory in use. ENERGY: 3620200 720.8198 2099.5667 1958.0744 116.5352 -206150.0478 17837.0496 0.0000 0.0000 34370.6014 -149047.4007 300.1670 -183418.0021 -148946.2623 300.1785 -37.5015 -2.5063 558514.8249 4.8970 4.7124 LDB: ============= START OF LOAD BALANCING ============== 10494.4 LDB: ============== END OF LOAD BALANCING =============== 10494.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10494.4 LDB: ============= START OF LOAD BALANCING ============== 10494.7 LDB: Largest compute 4773 load 0.026558 is 22.5% of average load 0.117960 LDB: Average compute 0.001745 is 1.5% of average load 0.117960 LDB: TIME 10494.7 LOAD: AVG 0.11796 MAX 0.180609 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.273 MB LDB: TIME 10494.7 LOAD: AVG 0.11796 MAX 0.180609 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.273 MB LDB: TIME 10494.7 LOAD: AVG 0.11796 MAX 0.180609 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.273 MB LDB: ============== END OF LOAD BALANCING =============== 10494.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10494.7 PRESSURE: 3620400 -53.7239 -127.697 -51.2122 -127.698 -36.5253 -38.0543 -51.2113 -38.0539 65.579 GPRESSURE: 3620400 22.1207 -163.043 -22.5642 -181.496 -12.8835 -15.3916 -52.4166 -59.2832 72.67 PRESSAVG: 3620400 32.6955 -14.2946 49.7243 -14.2946 -23.4191 -13.3545 49.7243 -13.3545 -3.88554 GPRESSAVG: 3620400 33.0006 -13.8956 48.5301 -14.8028 -23.8824 -14.3131 50.5054 -12.4051 -4.24047 TIMING: 3620400 CPU: 10491.6, 0.00293623/step Wall: 10491.6, 0.00293623/step, 1.12523 hours remaining, 209.636719 MB of memory in use. ENERGY: 3620400 770.0147 2103.0222 1961.4782 113.5638 -205956.6724 17762.5940 0.0000 0.0000 34284.6262 -148961.3732 299.4162 -183245.9994 -148867.2525 300.2262 -8.2234 27.3024 559006.4013 1.7970 1.6259 PRESSURE: 3620600 50.7981 -6.34519 94.0868 -6.34441 234.173 -90.0948 94.0866 -90.0956 -86.6416 GPRESSURE: 3620600 66.5857 11.7015 51.6428 -44.6901 315.079 -82.2807 125.766 56.2412 -77.409 PRESSAVG: 3620600 27.9828 -2.01001 32.2527 -2.00992 11.133 -37.274 32.2527 -37.274 -75.5271 GPRESSAVG: 3620600 29.1838 -2.01039 33.2055 -0.550319 9.54375 -37.8732 31.7072 -38.3335 -75.3233 TIMING: 3620600 CPU: 10492.2, 0.00288171/step Wall: 10492.2, 0.00288171/step, 1.10418 hours remaining, 209.636719 MB of memory in use. ENERGY: 3620600 778.5762 2079.1360 1953.1651 114.3344 -206277.1875 18100.3206 0.0000 0.0000 34415.2349 -148836.4202 300.5568 -183251.6551 -148748.7463 300.0429 66.1099 101.4185 558847.6239 -12.1371 -12.1986 PRESSURE: 3620800 83.3653 -158.422 70.6818 -158.422 -95.5633 61.8155 70.6821 61.8147 -22.7936 GPRESSURE: 3620800 114.856 -136.863 50.7942 -132.664 -59.3276 83.9177 103.706 124.291 11.886 PRESSAVG: 3620800 26.1316 -26.7281 60.7445 -26.7281 8.28254 -70.0942 60.7444 -70.0943 -41.775 GPRESSAVG: 3620800 25.5322 -27.8477 59.2745 -25.7838 9.39895 -69.9454 62.0856 -70.1344 -41.4864 TIMING: 3620800 CPU: 10492.7, 0.0028734/step Wall: 10492.7, 0.0028734/step, 1.10083 hours remaining, 209.636719 MB of memory in use. ENERGY: 3620800 725.2087 2055.6108 1947.3486 108.2287 -205886.2019 17802.7611 0.0000 0.0000 34241.4691 -149005.5749 299.0393 -183247.0440 -148911.8277 300.2326 -11.6638 22.4716 558796.2901 -2.4536 -2.1851 PRESSURE: 3621000 178.812 -92.3578 156.418 -92.3574 237.627 -60.2839 156.419 -60.2846 106.863 GPRESSURE: 3621000 267.937 -132.05 97.1841 -96.3107 253.258 -54.9843 182.439 -96.7334 116.238 PRESSAVG: 3621000 -26.0155 9.10615 30.548 9.10617 47.2292 47.384 30.548 47.3838 -0.718818 GPRESSAVG: 3621000 -26.4893 7.88293 32.4733 8.59614 46.8676 47.9703 28.9375 45.9439 -0.211267 TIMING: 3621000 CPU: 10493.3, 0.00286279/step Wall: 10493.3, 0.00286279/step, 1.09661 hours remaining, 209.835938 MB of memory in use. ENERGY: 3621000 716.7327 2091.9372 1933.9852 113.0983 -206377.6849 18107.9960 0.0000 0.0000 34363.7798 -149050.1558 300.1074 -183413.9355 -148946.8083 299.6330 174.4338 212.4775 557976.0200 6.8316 6.7224 PRESSURE: 3621200 -72.5312 28.691 -27.4344 28.6909 -47.6267 -88.6078 -27.4353 -88.6094 -98.6385 GPRESSURE: 3621200 -70.1293 6.00694 -26.7451 53.2714 15.7431 -78.1631 76.8735 -90.7109 -66.331 PRESSAVG: 3621200 24.3987 -30.8957 11.7506 -30.8957 -1.06978 -0.420488 11.7506 -0.42046 3.77357 GPRESSAVG: 3621200 24.1932 -28.7026 10.7709 -31.3433 -0.966754 0.700933 12.1155 0.419949 4.00396 TIMING: 3621200 CPU: 10493.9, 0.00284881/step Wall: 10493.9, 0.00284881/step, 1.09109 hours remaining, 209.835938 MB of memory in use. ENERGY: 3621200 756.9494 2121.0511 1907.8814 127.8123 -205777.6704 17638.5977 0.0000 0.0000 34342.9943 -148882.3843 299.9259 -183225.3786 -148780.9480 299.6054 -72.9322 -40.2391 558109.5585 9.0341 9.0768 PRESSURE: 3621400 -269.869 109.747 103.063 109.747 -117.149 90.1487 103.063 90.1484 -123.83 GPRESSURE: 3621400 -191.345 117.189 -9.21944 161.261 -67.3787 116.539 138.179 98.6946 -150.906 PRESSAVG: 3621400 -1.55024 6.73814 6.71248 6.73818 17.5722 -47.3857 6.71243 -47.3857 -10.3976 GPRESSAVG: 3621400 -1.46847 6.37425 6.4468 6.82305 17.1128 -49.3338 7.60211 -47.5714 -10.0882 TIMING: 3621400 CPU: 10494.5, 0.00286695/step Wall: 10494.5, 0.00286695/step, 1.09788 hours remaining, 209.835938 MB of memory in use. ENERGY: 3621400 756.7821 2086.8468 1935.5637 111.9937 -205440.0027 17346.2092 0.0000 0.0000 34338.9037 -148863.7036 299.8902 -183202.6073 -148753.3783 299.6323 -170.2827 -136.5433 557693.5630 1.8748 1.8521 PRESSURE: 3621600 -85.658 160.105 61.874 160.105 -386.229 -54.54 61.8738 -54.54 121.665 GPRESSURE: 3621600 -88.1548 119.146 120.085 115.481 -325.442 14.8809 54.1986 -19.9807 159.33 PRESSAVG: 3621600 -26.8651 -3.06941 22.1218 -3.06944 22.3498 -41.4342 22.122 -41.4341 -21.7362 GPRESSAVG: 3621600 -27.9425 -4.29525 23.23 -1.62627 23.7693 -40.9729 20.9611 -41.8253 -22.4031 TIMING: 3621600 CPU: 10495, 0.002861/step Wall: 10495, 0.002861/step, 1.09545 hours remaining, 209.835938 MB of memory in use. ENERGY: 3621600 735.5159 2105.4334 1949.3107 110.8444 -205884.3285 17692.4755 0.0000 0.0000 34343.1319 -148947.6167 299.9271 -183290.7486 -148848.8576 299.9146 -116.7406 -84.7556 558542.0631 -8.7505 -8.8588 PRESSURE: 3621800 9.26324 -36.971 42.9684 -36.9731 227.589 -87.6964 42.9674 -87.6963 -130.871 GPRESSURE: 3621800 40.5876 18.2568 36.7499 -28.3773 255.902 -121.394 -28.688 -18.6344 -87.3775 PRESSAVG: 3621800 36.27 37.6166 -39.6516 37.6166 -36.3831 -49.2735 -39.6517 -49.2734 46.1 GPRESSAVG: 3621800 37.3912 39.9275 -39.8456 37.0077 -36.6573 -49.8513 -38.6107 -47.233 45.5331 TIMING: 3621800 CPU: 10495.6, 0.00286464/step Wall: 10495.6, 0.00286464/step, 1.09668 hours remaining, 209.835938 MB of memory in use. ENERGY: 3621800 781.2741 2137.8610 1917.3406 118.7316 -206103.7644 17893.7875 0.0000 0.0000 34511.0669 -148743.7027 301.3937 -183254.7697 -148652.0051 300.1171 35.3269 69.7039 558084.2267 15.3289 15.4223 PRESSURE: 3622000 -294.739 -53.7053 158.863 -53.7053 178.729 -42.7977 158.863 -42.7991 85.0791 GPRESSURE: 3622000 -253.082 -123.101 139.887 -38.6385 203.349 -52.173 63.5485 -8.50238 114.655 PRESSAVG: 3622000 4.04311 21.7389 15.31 21.7389 13.3657 -25.4622 15.31 -25.4623 -33.8085 GPRESSAVG: 3622000 3.48236 19.9706 16.4051 21.3751 12.2829 -23.9738 14.2236 -28.4775 -32.2544 TIMING: 3622000 CPU: 10496.2, 0.00286772/step Wall: 10496.2, 0.00286772/step, 1.0977 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3622000 740.1380 2131.2483 1962.0007 117.4675 -205899.4131 17659.3051 0.0000 0.0000 34559.8930 -148729.3606 301.8201 -183289.2535 -148630.6283 300.3202 -10.3104 21.6405 555530.6735 -5.4665 -5.4964 PRESSURE: 3622200 -41.5735 -116.058 -49.1192 -116.057 184.41 -35.6753 -49.12 -35.6735 -67.8909 GPRESSURE: 3622200 22.4059 -147.449 53.1759 -51.5757 193.477 -42.693 -102.083 -68.6164 -44.2031 PRESSAVG: 3622200 -11.9983 21.824 -39.5581 21.8241 -27.576 26.2175 -39.5581 26.2174 76.8657 GPRESSAVG: 3622200 -10.8229 24.0008 -39.6281 20.1088 -27.7116 23.2759 -40.8258 28.4028 75.7416 TIMING: 3622200 CPU: 10496.8, 0.00289894/step Wall: 10496.8, 0.00289894/step, 1.10949 hours remaining, 209.835938 MB of memory in use. ENERGY: 3622200 739.3283 2079.9437 1949.6985 107.1527 -205730.2155 17762.0586 0.0000 0.0000 34306.9438 -148785.0898 299.6111 -183092.0336 -148689.5202 300.9443 24.9819 57.2267 557438.4984 12.4304 12.4024 PRESSURE: 3622400 135.182 37.8222 45.0724 37.8225 -0.84688 101.631 45.0713 101.629 86.2737 GPRESSURE: 3622400 201.321 30.1404 18.7883 -32.6515 19.1924 153.944 31.3135 69.1724 95.3001 PRESSAVG: 3622400 7.31518 26.2934 8.72859 26.2933 -50.5192 18.703 8.72855 18.7032 63.9432 GPRESSAVG: 3622400 6.61607 21.5308 9.80851 28.1601 -50.4956 21.2272 9.96235 17.8027 65.3553 TIMING: 3622400 CPU: 10497.3, 0.00290592/step Wall: 10497.3, 0.00290592/step, 1.112 hours remaining, 209.835938 MB of memory in use. ENERGY: 3622400 752.8489 2132.8056 1945.3616 100.5472 -206234.1395 17980.2402 0.0000 0.0000 34244.9959 -149077.3401 299.0701 -183322.3360 -148981.4033 300.6253 73.5364 105.2713 557304.3491 6.9130 7.1586 PRESSURE: 3622600 -287.01 -331.783 6.29673 -331.784 135.937 34.8404 6.29647 34.8388 -335.211 GPRESSURE: 3622600 -269.521 -354.604 31.0342 -194.25 222.522 33.8653 -28.1369 38.8845 -343.714 PRESSAVG: 3622600 23.6279 -88.0879 22.2833 -88.0879 -22.4925 19.3397 22.2833 19.3398 -8.62766 GPRESSAVG: 3622600 24.3549 -84.9771 20.3196 -88.0348 -22.7076 18.9234 24.3853 20.2719 -9.83675 TIMING: 3622600 CPU: 10497.9, 0.00287463/step Wall: 10497.9, 0.00287463/step, 1.09987 hours remaining, 209.835938 MB of memory in use. ENERGY: 3622600 733.6600 2101.1652 1919.6623 109.3428 -205998.2284 17558.2250 0.0000 0.0000 34467.9298 -149108.2433 301.0170 -183576.1731 -149013.3373 299.8063 -162.0944 -130.2376 558814.6931 -2.4974 -2.7298 PRESSURE: 3622800 213.437 -106.894 102.285 -106.893 54.7245 20.4854 102.285 20.4851 108.187 GPRESSURE: 3622800 221.665 -141.619 139.654 -112.385 88.4641 -25.9705 155.489 62.0615 172.904 PRESSAVG: 3622800 51.4565 -35.1796 64.7081 -35.1796 2.05485 19.7696 64.7082 19.7695 -48.5843 GPRESSAVG: 3622800 50.3808 -34.806 61.8745 -35.2427 2.8547 18.3181 65.8251 19.7361 -47.4909 TIMING: 3622800 CPU: 10498.5, 0.00287443/step Wall: 10498.5, 0.00287443/step, 1.09963 hours remaining, 209.835938 MB of memory in use. ENERGY: 3622800 758.4845 2074.9537 1945.9551 127.4292 -206278.2676 18015.5224 0.0000 0.0000 34277.6931 -149078.2298 299.3556 -183355.9228 -148975.4719 299.8740 125.4495 161.0111 556936.3055 1.6423 1.9148 PRESSURE: 3623000 103.36 42.2679 65.223 42.2699 -400.123 217.915 65.2235 217.914 196.678 GPRESSURE: 3623000 164.342 80.3235 -35.7787 -31.6896 -362.136 191.421 82.5587 309.585 186.845 PRESSAVG: 3623000 17.7926 3.3566 11.8983 3.35662 -75.1854 -12.0493 11.8983 -12.0493 17.0095 GPRESSAVG: 3623000 18.18 1.72728 16.4682 4.53216 -76.71 -13.1394 8.51325 -11.3532 19.0135 TIMING: 3623000 CPU: 10499.1, 0.0028658/step Wall: 10499.1, 0.0028658/step, 1.09617 hours remaining, 209.835938 MB of memory in use. ENERGY: 3623000 785.9132 2138.4486 1934.8699 115.1593 -206230.1179 17786.0937 0.0000 0.0000 34359.8359 -149109.7974 300.0730 -183469.6332 -149014.5464 299.5426 -33.3615 -3.6493 557861.3550 -13.4611 -13.1722 PRESSURE: 3623200 5.03848 -115.493 -30.9387 -115.492 -19.3797 -102.684 -30.9388 -102.684 -35.1394 GPRESSURE: 3623200 29.548 -128.589 -71.9945 -140.965 20.4457 -95.4732 -12.3967 -21.6058 3.60213 PRESSAVG: 3623200 2.49402 -44.6594 -7.04222 -44.6594 -18.6802 -51.8073 -7.04215 -51.8073 0.925076 GPRESSAVG: 3623200 2.15224 -42.6869 -9.96718 -44.4471 -16.8912 -50.5199 -5.37787 -52.4524 -0.820665 TIMING: 3623200 CPU: 10499.6, 0.00288599/step Wall: 10499.6, 0.00288599/step, 1.10373 hours remaining, 209.835938 MB of memory in use. ENERGY: 3623200 724.0106 2181.1554 1985.9706 115.4522 -206145.4553 17657.0528 0.0000 0.0000 34394.1166 -149087.6971 300.3724 -183481.8137 -148994.2581 299.6471 -16.4935 17.8652 556278.7535 -5.0870 -5.1865 PRESSURE: 3623400 -235.383 -73.0305 -71.8206 -73.0323 -127.162 100.774 -71.8216 100.774 -43.6788 GPRESSURE: 3623400 -176.226 -92.2922 -50.155 -159.066 -60.5368 40.1693 -116.673 88.8364 -74.4657 PRESSAVG: 3623400 3.73789 -9.49667 -22.0865 -9.49674 -12.2257 18.0311 -22.0864 18.031 21.8731 GPRESSAVG: 3623400 4.23748 -10.6211 -21.5744 -12.7252 -12.2448 18.1356 -20.8055 19.0687 21.7541 TIMING: 3623400 CPU: 10500.2, 0.00290287/step Wall: 10500.2, 0.00290287/step, 1.11003 hours remaining, 209.835938 MB of memory in use. ENERGY: 3623400 742.1602 2169.9022 1976.8992 128.6109 -206141.2541 17665.9070 0.0000 0.0000 34233.6507 -149224.1240 298.9710 -183457.7747 -149130.8571 299.9912 -135.4078 -103.7429 556805.1240 4.4618 4.5823 PRESSURE: 3623600 134.293 -141.083 211.263 -141.084 -6.23225 -59.112 211.263 -59.1111 209.373 GPRESSURE: 3623600 146.594 -116.558 201.214 -102.061 38.7835 -6.9371 128.39 -108.751 247.778 PRESSAVG: 3623600 52.9684 -56.0842 -13.7153 -56.0842 -19.6583 37.7097 -13.7152 37.7096 -1.8223 GPRESSAVG: 3623600 52.9162 -54.9572 -13.7892 -54.0364 -20.3255 36.7435 -17.0521 36.8072 -0.48167 TIMING: 3623600 CPU: 10500.8, 0.00289285/step Wall: 10500.8, 0.00289285/step, 1.10603 hours remaining, 209.835938 MB of memory in use. ENERGY: 3623600 746.0313 2093.5267 1957.0526 136.3875 -206417.9463 17958.2385 0.0000 0.0000 34285.5891 -149241.1205 299.4246 -183526.7097 -149142.0667 299.1146 112.4780 144.3854 556259.7206 10.4959 10.7030 PRESSURE: 3623800 -67.9478 58.4789 -144.643 58.4794 -166.092 34.1185 -144.643 34.1203 7.80236 GPRESSURE: 3623800 -33.6442 96.0599 -114.069 83.5987 -102.159 26.2787 -103.366 -29.0422 -3.14343 PRESSAVG: 3623800 7.26856 -43.0268 -29.6946 -43.0268 -30.473 -52.6596 -29.6946 -52.6597 6.81189 GPRESSAVG: 3623800 6.80547 -43.6173 -28.9783 -44.2655 -30.4138 -50.7207 -28.4601 -53.9022 7.30554 TIMING: 3623800 CPU: 10501.4, 0.00286962/step Wall: 10501.4, 0.00286962/step, 1.09699 hours remaining, 209.835938 MB of memory in use. ENERGY: 3623800 771.8646 2080.0884 1919.7593 106.1664 -206162.9258 17614.2133 0.0000 0.0000 34223.2674 -149447.5665 298.8803 -183670.8338 -149357.7914 299.1646 -75.4125 -46.3157 556584.6626 -5.4642 -5.4343 PRESSURE: 3624000 -368.898 31.1416 23.6068 31.1415 32.2358 -260.213 23.6053 -260.214 -54.8988 GPRESSURE: 3624000 -311.201 69.2936 57.5751 -61.3095 45.5668 -282.27 31.3088 -237.445 -20.7051 PRESSAVG: 3624000 -34.3754 4.23692 48.2142 4.23699 9.72691 -66.305 48.2141 -66.3051 21.1631 GPRESSAVG: 3624000 -34.2739 6.55195 48.217 3.72365 10.3376 -66.62 49.6295 -66.8105 20.613 TIMING: 3624000 CPU: 10502, 0.00287792/step Wall: 10502, 0.00287792/step, 1.1 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3624000 732.2913 2082.4479 1963.5510 124.3321 -206121.7692 17738.7522 0.0000 0.0000 34169.1329 -149311.2620 298.4075 -183480.3949 -149212.4458 298.9174 -130.5205 -95.4465 558120.8767 -1.1618 -1.1078 PRESSURE: 3624200 -1.76117 -38.4416 -69.802 -38.4434 150.552 231.529 -69.8028 231.529 12.4722 GPRESSURE: 3624200 12.0069 -61.9787 -22.444 -43.3406 173.275 185.919 -116.447 253.504 75.3539 PRESSAVG: 3624200 -38.9949 -4.87243 56.2586 -4.87246 0.0736616 0.0911019 56.2586 0.0910383 54.5074 GPRESSAVG: 3624200 -39.0326 -7.35477 56.2876 -4.50557 -0.682403 -1.40149 57.3126 0.917081 54.6443 TIMING: 3624200 CPU: 10502.5, 0.00289238/step Wall: 10502.5, 0.00289238/step, 1.10537 hours remaining, 209.835938 MB of memory in use. ENERGY: 3624200 710.1189 2121.0313 1931.0290 128.2988 -206335.6843 17874.3640 0.0000 0.0000 34248.6645 -149322.1778 299.1021 -183570.8423 -149226.7811 299.2013 53.7545 86.8785 558777.5849 5.1954 4.9764 LDB: ============= START OF LOAD BALANCING ============== 10505.9 LDB: ============== END OF LOAD BALANCING =============== 10505.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10505.9 LDB: ============= START OF LOAD BALANCING ============== 10506.2 LDB: Largest compute 4773 load 0.028153 is 23.9% of average load 0.117983 LDB: Average compute 0.001738 is 1.5% of average load 0.117983 LDB: TIME 10506.2 LOAD: AVG 0.117983 MAX 0.180223 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.629 MB LDB: TIME 10506.2 LOAD: AVG 0.117983 MAX 0.180223 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.699 MB LDB: TIME 10506.2 LOAD: AVG 0.117983 MAX 0.180223 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.699 MB LDB: ============== END OF LOAD BALANCING =============== 10506.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10506.2 PRESSURE: 3624400 -229.75 118.221 40.3188 118.22 -18.6389 110.1 40.3177 110.1 -410.76 GPRESSURE: 3624400 -209.14 105.904 73.0081 153.948 1.20199 49.9188 -39.0952 162.761 -346.867 PRESSAVG: 3624400 33.7402 27.5043 21.1689 27.5043 -32.1194 -9.75013 21.169 -9.75011 -23.2063 GPRESSAVG: 3624400 32.0929 28.0293 20.728 27.104 -31.4592 -9.16981 19.2893 -8.43484 -22.6053 TIMING: 3624400 CPU: 10503.1, 0.0029548/step Wall: 10503.1, 0.0029548/step, 1.12906 hours remaining, 211.433594 MB of memory in use. ENERGY: 3624400 789.7091 2116.2897 1966.4386 118.2038 -206096.1551 17582.4991 0.0000 0.0000 34312.0949 -149210.9200 299.6561 -183523.0149 -149109.0244 299.0045 -219.7165 -184.9351 558751.1194 -7.1951 -7.3239 PRESSURE: 3624600 -115.107 -14.2678 45.9557 -14.2684 131.533 -3.34532 45.9559 -3.34461 -262.65 GPRESSURE: 3624600 -105.046 6.62784 99.1992 20.7229 198.47 -11.1915 95.6686 -133.626 -231.227 PRESSAVG: 3624600 -23.8396 41.3783 38.2833 41.3783 59.12 45.4177 38.2833 45.4176 -22.5539 GPRESSAVG: 3624600 -23.6574 42.4814 38.4514 42.0075 58.5052 46.603 39.3069 43.8279 -22.3426 TIMING: 3624600 CPU: 10503.7, 0.00290722/step Wall: 10503.7, 0.00290722/step, 1.11072 hours remaining, 211.433594 MB of memory in use. ENERGY: 3624600 731.7616 2151.3694 1965.1515 109.7468 -206368.1265 17721.6644 0.0000 0.0000 34450.2402 -149238.1925 300.8625 -183688.4328 -149136.3282 299.8514 -82.0746 -45.9344 557745.0977 4.2422 4.1684 PRESSURE: 3624800 -116.581 -40.0557 17.0992 -40.0551 47.6922 120.513 17.1007 120.514 -130.728 GPRESSURE: 3624800 -66.3952 -64.8825 27.7853 -20.2121 64.2169 15.9038 13.6982 118.284 -95.3328 PRESSAVG: 3624800 -1.35566 74.8413 9.20658 74.8413 22.9631 -2.60669 9.20663 -2.6066 -5.83575 GPRESSAVG: 3624800 -1.52506 71.1592 6.66987 76.3711 24.3072 -3.42238 10.0711 -0.740657 -6.64909 TIMING: 3624800 CPU: 10504.3, 0.00287275/step Wall: 10504.3, 0.00287275/step, 1.09739 hours remaining, 211.433594 MB of memory in use. ENERGY: 3624800 744.0440 2067.0938 1967.4760 109.2394 -206019.6079 17671.5291 0.0000 0.0000 34095.1019 -149365.1237 297.7610 -183460.2256 -149276.7456 299.7434 -66.5389 -32.5037 557989.5370 5.2572 5.3777 PRESSURE: 3625000 -15.6019 161.316 -84.297 161.314 153.101 -1.94758 -84.2969 -1.94747 -16.2888 GPRESSURE: 3625000 92.3643 161.071 -176.67 130.384 145.973 -58.3668 -59.9678 115.066 -21.0358 PRESSAVG: 3625000 -18.172 61.1621 -29.0979 61.162 -9.83342 32.3655 -29.098 32.3655 28.2325 GPRESSAVG: 3625000 -17.3584 63.603 -28.882 59.8695 -10.4823 33.3119 -29.5176 31.6901 28.0169 TIMING: 3625000 CPU: 10504.8, 0.00286802/step Wall: 10504.8, 0.00286802/step, 1.09543 hours remaining, 211.433594 MB of memory in use. ENERGY: 3625000 747.3684 2108.8169 1937.8619 104.8515 -206706.8237 18011.5117 0.0000 0.0000 34423.3001 -149373.1132 300.6272 -183796.4133 -149280.2489 299.2866 40.4035 72.4339 556366.7538 0.0757 0.0587 PRESSURE: 3625200 295.83 -83.8043 -8.26992 -83.805 -66.6919 220.51 -8.27018 220.511 -99.3341 GPRESSURE: 3625200 244.24 -137.262 -42.2058 -22.5647 -13.2467 232.143 -38.9472 201.839 -12.2713 PRESSAVG: 3625200 5.50015 -22.938 -17.323 -22.938 4.85278 23.4621 -17.323 23.4622 -16.4092 GPRESSAVG: 3625200 4.42348 -22.8736 -15.9006 -22.8461 4.98551 23.4752 -18.682 23.4252 -16.0285 TIMING: 3625200 CPU: 10505.4, 0.00288238/step Wall: 10505.4, 0.00288238/step, 1.10075 hours remaining, 211.433594 MB of memory in use. ENERGY: 3625200 738.2640 2062.0333 1957.0465 116.8431 -206696.6172 18092.3910 0.0000 0.0000 34266.5414 -149463.4978 299.2582 -183730.0392 -149369.7516 298.9489 43.2678 72.9074 557770.8534 -2.0188 -2.2065 PRESSURE: 3625400 -156.445 -146.018 -209.168 -146.018 -239.777 8.04219 -209.168 8.04364 40.6905 GPRESSURE: 3625400 -153.412 -121.856 -190.103 -159.071 -205.288 -13.2277 -244.659 42.2037 106.868 PRESSAVG: 3625400 -46.4133 -40.6276 -54.2253 -40.6275 36.9314 28.0845 -54.2252 28.0844 5.42899 GPRESSAVG: 3625400 -45.779 -41.5018 -53.1118 -40.75 36.2366 28.1581 -52.4875 26.7025 5.65974 TIMING: 3625400 CPU: 10506, 0.00287494/step Wall: 10506, 0.00287494/step, 1.09775 hours remaining, 211.433594 MB of memory in use. ENERGY: 3625400 759.8782 2061.4300 1962.0929 102.1686 -206003.1618 17578.3494 0.0000 0.0000 34100.2215 -149439.0212 297.8057 -183539.2426 -149347.4134 298.5506 -118.5106 -83.9439 558172.7814 -1.3510 -1.2942 PRESSURE: 3625600 129.38 15.7163 -32.8887 15.7155 -90.3387 64.3459 -32.8891 64.3447 -204.91 GPRESSURE: 3625600 136.765 81.2709 -46.0614 -58.6424 -91.758 -16.1969 -39.9027 155.312 -110.382 PRESSAVG: 3625600 7.33216 3.28559 -46.1298 3.28555 22.1331 22.5709 -46.1298 22.571 -61.0282 GPRESSAVG: 3625600 7.30156 3.80727 -46.3181 3.29863 21.9424 23.8063 -48.2617 22.913 -60.7843 TIMING: 3625600 CPU: 10506.6, 0.00288263/step Wall: 10506.6, 0.00288263/step, 1.10052 hours remaining, 211.433594 MB of memory in use. ENERGY: 3625600 757.3772 2130.2577 1965.9513 113.0819 -206643.4005 17874.5734 0.0000 0.0000 34220.2576 -149581.9015 298.8540 -183802.1591 -149487.5448 297.9142 -55.2896 -21.7918 557434.8685 -10.5210 -10.5134 PRESSURE: 3625800 90.0546 -69.5126 44.3361 -69.5129 -9.96585 -93.2608 44.3357 -93.2617 25.3295 GPRESSURE: 3625800 160.614 -96.1408 79.9182 -34.6124 17.1134 -131.944 90.9136 -72.5206 30.1329 PRESSAVG: 3625800 27.7283 -14.3057 -8.06992 -14.3057 -4.2495 28.0469 -8.06989 28.047 18.0706 GPRESSAVG: 3625800 28.7744 -14.2601 -8.89586 -14.9546 -3.94512 27.0119 -6.8299 27.8258 16.6527 TIMING: 3625800 CPU: 10507.2, 0.00287989/step Wall: 10507.2, 0.00287989/step, 1.09932 hours remaining, 211.433594 MB of memory in use. ENERGY: 3625800 770.5363 2146.6033 1965.0238 121.2738 -206635.8131 18055.2828 0.0000 0.0000 34019.4033 -149557.6898 297.0999 -183577.0932 -149472.5754 298.9870 35.1394 69.2866 557869.3978 13.8498 13.8273 PRESSURE: 3626000 -159.445 -38.2041 130.874 -38.204 -25.7182 139.954 130.873 139.952 63.6531 GPRESSURE: 3626000 -107.736 -66.3761 40.9449 16.6707 -24.5456 172.145 40.5459 136.751 109.256 PRESSAVG: 3626000 4.3238 2.14862 11.3663 2.14851 -31.2251 -10.3009 11.3663 -10.3009 56.6054 GPRESSAVG: 3626000 3.96922 2.55949 10.1303 2.47968 -31.6015 -10.849 13.1462 -10.3709 56.6535 TIMING: 3626000 CPU: 10507.7, 0.00286531/step Wall: 10507.7, 0.00286531/step, 1.09359 hours remaining, 211.433594 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: 3626000 735.3542 2100.8457 1961.1766 111.7797 -206702.5276 17997.0430 0.0000 0.0000 34250.3213 -149546.0072 299.1166 -183796.3284 -149451.7748 298.1977 -40.5033 -7.6750 557831.6592 9.9014 9.6738 PRESSURE: 3626200 57.0239 141.462 9.8252 141.461 -67.2613 -51.8199 9.82511 -51.8197 -146.461 GPRESSURE: 3626200 132.539 159.76 -64.1185 194.825 -76.0664 -93.1059 83.7115 -59.3924 -113.97 PRESSAVG: 3626200 17.5261 6.06364 6.91027 6.06361 -12.9551 -23.4813 6.91017 -23.4813 31.6853 GPRESSAVG: 3626200 17.9953 4.9095 8.86685 7.68145 -13.6678 -21.4772 5.09418 -23.6994 31.9125 TIMING: 3626200 CPU: 10508.3, 0.00286542/step Wall: 10508.3, 0.00286542/step, 1.09348 hours remaining, 211.433594 MB of memory in use. ENERGY: 3626200 732.0273 2182.9606 1948.3613 98.7341 -206365.2121 17818.4163 0.0000 0.0000 34102.4476 -149482.2650 297.8252 -183584.7126 -149394.8052 298.7036 -52.2327 -19.1656 559225.3071 12.0855 12.0800 PRESSURE: 3626400 77.6227 35.8205 -44.5008 35.8211 -44.5783 -48.1942 -44.5029 -48.1968 283.704 GPRESSURE: 3626400 95.2023 88.0945 -144.8 27.0768 -15.9709 -33.9311 -66.7555 -72.2076 332.783 PRESSAVG: 3626400 -18.3391 36.788 -6.07961 36.7881 0.638472 -29.6983 -6.07969 -29.6984 32.1217 GPRESSAVG: 3626400 -18.28 36.872 -7.81559 35.8955 1.77021 -31.0995 -5.65785 -29.1841 30.581 TIMING: 3626400 CPU: 10508.9, 0.00286426/step Wall: 10508.9, 0.00286426/step, 1.09287 hours remaining, 211.433594 MB of memory in use. ENERGY: 3626400 717.7439 2091.8261 1968.2017 115.0810 -206420.1141 18027.9237 0.0000 0.0000 34165.5003 -149333.8375 298.3758 -183499.3377 -149234.3892 299.4687 105.5829 137.3381 558498.1120 4.8070 4.6904 PRESSURE: 3626600 -54.8912 101.945 53.7698 101.944 -30.3017 -66.376 53.7696 -66.3751 -199.866 GPRESSURE: 3626600 -49.0186 41.4233 -3.31215 139.039 5.306 -81.3781 81.3999 -115.252 -150.178 PRESSAVG: 3626600 3.16834 -27.2091 32.1565 -27.2091 -30.7208 52.7191 32.1566 52.719 37.1289 GPRESSAVG: 3626600 3.13357 -28.2823 35.6338 -24.5443 -32.0944 52.8311 31.0813 52.5529 38.5989 TIMING: 3626600 CPU: 10509.4, 0.00286402/step Wall: 10509.4, 0.00286402/step, 1.09262 hours remaining, 211.433594 MB of memory in use. ENERGY: 3626600 759.8394 2139.9633 1971.4274 111.8273 -205851.5773 17637.2262 0.0000 0.0000 34139.7620 -149091.5317 298.1510 -183231.2937 -149002.7791 299.1175 -95.0197 -64.6302 559285.8207 3.1921 3.2127 PRESSURE: 3626800 -160.298 -9.78587 19.9883 -9.78493 -209.59 128.503 19.9889 128.504 -153.471 GPRESSURE: 3626800 -116.666 -5.32594 117.678 -34.1147 -147.055 62.4747 -9.49693 211.009 -146.179 PRESSAVG: 3626800 28.3544 18.4168 49.9665 18.4169 31.2453 0.606468 49.9665 0.606338 -21.5818 GPRESSAVG: 3626800 28.8952 20.4936 46.9903 14.1635 31.573 -0.541141 52.8845 0.958823 -22.4213 TIMING: 3626800 CPU: 10510, 0.00287633/step Wall: 10510, 0.00287633/step, 1.09716 hours remaining, 211.433594 MB of memory in use. ENERGY: 3626800 717.2621 2121.4607 1942.4998 118.6032 -205652.7223 17509.2775 0.0000 0.0000 34115.8458 -149127.7731 297.9422 -183243.6190 -149023.9220 299.6532 -174.4532 -136.6334 557915.3625 12.6726 12.6823 PRESSURE: 3627000 131.663 75.1552 -17.7193 75.1549 -16.4342 -130.348 -17.7201 -130.347 302.439 GPRESSURE: 3627000 123.275 207.221 51.118 48.567 58.3237 -121.543 -53.5759 -121.588 323.385 PRESSAVG: 3627000 -73.7472 -1.92309 6.55548 -1.92315 60.278 0.300901 6.55552 0.300978 -9.88284 GPRESSAVG: 3627000 -74.0836 -3.57525 6.6943 -1.0777 60.6201 1.58196 5.42795 -1.02083 -10.4407 TIMING: 3627000 CPU: 10510.6, 0.00286397/step Wall: 10510.6, 0.00286397/step, 1.09229 hours remaining, 211.433594 MB of memory in use. ENERGY: 3627000 734.2385 2080.1207 1950.0597 110.4031 -206044.1765 17866.4379 0.0000 0.0000 34255.6006 -149047.3160 299.1627 -183302.9166 -148951.2773 299.1004 139.2226 168.3277 558431.0995 -7.7840 -7.9681 PRESSURE: 3627200 -195.674 -136.56 110.644 -136.56 -193.077 -150.219 110.644 -150.222 -331.697 GPRESSURE: 3627200 -170.202 -124.018 -17.8287 -119.628 -176.818 -174.412 150.699 -150.768 -273.505 PRESSAVG: 3627200 -1.37481 -29.8687 -6.95293 -29.8687 32.0343 -38.6939 -6.95297 -38.694 -55.9355 GPRESSAVG: 3627200 -2.2721 -29.0509 -4.43306 -30.2322 31.5124 -38.7863 -9.21254 -39.5444 -54.6098 TIMING: 3627200 CPU: 10511.2, 0.00286367/step Wall: 10511.2, 0.00286367/step, 1.09201 hours remaining, 211.433594 MB of memory in use. ENERGY: 3627200 739.2707 2118.1326 1942.3519 122.3600 -205572.2087 17445.0803 0.0000 0.0000 34255.2428 -148949.7704 299.1596 -183205.0131 -148851.4522 299.5276 -240.1493 -206.8418 558100.2100 -8.4253 -8.4565 PRESSURE: 3627400 -43.9865 -22.7358 -318.626 -22.7374 -308.966 72.2325 -318.627 72.2338 -15.6629 GPRESSURE: 3627400 -0.461404 22.4139 -278.177 -4.34527 -299.735 47.4977 -326.036 117.578 27.922 PRESSAVG: 3627400 69.9391 12.042 13.5721 12.042 -6.24353 12.234 13.572 12.234 -45.2819 GPRESSAVG: 3627400 70.9371 13.3228 9.95038 13.5715 -5.55252 11.0528 17.237 13.7385 -46.0187 TIMING: 3627400 CPU: 10511.7, 0.00285634/step Wall: 10511.7, 0.00285634/step, 1.08906 hours remaining, 211.433594 MB of memory in use. ENERGY: 3627400 779.0318 2084.9268 1938.2779 118.6383 -205915.9175 17702.5363 0.0000 0.0000 34382.1160 -148910.3903 300.2676 -183292.5063 -148810.7649 299.7167 -122.8718 -90.7582 558758.4911 6.1379 6.4553 PRESSURE: 3627600 -15.6251 -36.72 241.3 -36.722 -247.456 -120.276 241.3 -120.274 24.8601 GPRESSURE: 3627600 34.9209 -32.245 218.073 -22.3123 -231.664 -130.46 201.996 -11.8244 55.7848 PRESSAVG: 3627600 54.9805 -24.9399 7.28706 -24.94 -24.5509 -21.7401 7.28706 -21.7403 -32.7342 GPRESSAVG: 3627600 55.5062 -26.558 8.01422 -25.8977 -26.1057 -19.9868 6.78357 -21.3205 -30.988 TIMING: 3627600 CPU: 10512.3, 0.00286833/step Wall: 10512.3, 0.00286833/step, 1.09347 hours remaining, 211.433594 MB of memory in use. ENERGY: 3627600 720.3435 2129.5047 1958.9042 126.4401 -205905.7267 17700.5242 0.0000 0.0000 34392.5414 -148877.4686 300.3586 -183270.0100 -148781.4510 300.1570 -79.4070 -46.9862 560115.3557 -0.7682 -0.5291 PRESSURE: 3627800 3.80299 84.6797 -60.8984 84.6797 114.935 -12.9913 -60.898 -12.9928 62.9399 GPRESSURE: 3627800 38.5396 38.3492 -51.5933 127.481 137.332 -26.6641 -94.192 -47.0077 111.829 PRESSAVG: 3627800 23.0462 32.3164 -15.4308 32.3165 -55.7472 -26.2183 -15.4307 -26.2184 11.4824 GPRESSAVG: 3627800 22.2169 32.381 -16.0537 33.8257 -53.9587 -25.7335 -15.0577 -28.0758 10.4028 TIMING: 3627800 CPU: 10512.9, 0.00285755/step Wall: 10512.9, 0.00285755/step, 1.0892 hours remaining, 211.433594 MB of memory in use. ENERGY: 3627800 705.7850 2077.5985 1924.6973 100.7000 -206204.4848 17978.6636 0.0000 0.0000 34549.3969 -148867.6435 301.7285 -183417.0404 -148771.5808 300.3099 60.5593 95.9003 560205.4944 -7.0729 -7.1130 PRESSURE: 3628000 90.7728 -217.085 -11.8339 -217.085 114.029 -33.2379 -11.8333 -33.2376 -181.511 GPRESSURE: 3628000 91.5399 -260.626 6.69599 -167.495 196.127 -43.7014 -0.014324 44.9324 -158.174 PRESSAVG: 3628000 42.4628 -29.0811 -3.72157 -29.0812 33.6446 -20.9008 -3.72152 -20.9008 -54.1576 GPRESSAVG: 3628000 42.8104 -28.8937 -1.33812 -31.0663 33.0863 -21.6273 -4.7443 -20.6718 -53.5206 TIMING: 3628000 CPU: 10513.5, 0.00286779/step Wall: 10513.5, 0.00286779/step, 1.09295 hours remaining, 211.433594 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: 3628000 756.3736 2058.4368 1956.6704 123.2993 -206207.5152 17937.7914 0.0000 0.0000 34439.2612 -148935.6825 300.7666 -183374.9437 -148840.8160 300.9767 7.7636 43.1641 558373.9967 7.3166 7.4587 PRESSURE: 3628200 14.6955 -95.4751 65.7151 -95.4751 86.0397 150.4 65.7145 150.399 36.6439 GPRESSURE: 3628200 36.734 -106.104 71.2336 -104.382 75.4325 142.694 72.9436 82.0617 118.621 PRESSAVG: 3628200 43.3318 -7.14727 -54.5797 -7.1473 11.6973 -9.40708 -54.5796 -9.40701 -59.1346 GPRESSAVG: 3628200 42.6359 -8.41641 -54.4802 -6.05857 11.0216 -11.0701 -53.9954 -6.73213 -57.7961 TIMING: 3628200 CPU: 10514, 0.00288248/step Wall: 10514, 0.00288248/step, 1.09838 hours remaining, 211.433594 MB of memory in use. ENERGY: 3628200 761.0425 2087.0819 1928.8847 120.2049 -205781.6634 17789.4840 0.0000 0.0000 34100.9245 -148994.0410 297.8119 -183094.9654 -148896.7349 300.5355 45.7930 76.9290 558243.5741 -1.3685 -1.3795 LDB: ============= START OF LOAD BALANCING ============== 10517.4 LDB: ============== END OF LOAD BALANCING =============== 10517.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10517.4 LDB: ============= START OF LOAD BALANCING ============== 10517.7 LDB: Largest compute 4773 load 0.026995 is 22.9% of average load 0.118045 LDB: Average compute 0.001740 is 1.5% of average load 0.118045 LDB: TIME 10517.7 LOAD: AVG 0.118045 MAX 0.17863 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 10517.7 LOAD: AVG 0.118045 MAX 0.17863 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 10517.7 LOAD: AVG 0.118045 MAX 0.17863 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 10517.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10517.7 PRESSURE: 3628400 -300.208 -7.86862 41.3972 -7.86846 128.933 30.255 41.3987 30.2556 -86.5378 GPRESSURE: 3628400 -249.207 19.4222 98.4237 -11.5482 155.883 -50.4888 6.36411 63.7371 -59.7313 PRESSAVG: 3628400 33.1953 -7.1175 20.7734 -7.11741 6.32865 -6.87216 20.7735 -6.87207 4.31667 GPRESSAVG: 3628400 36.3076 -6.09482 21.3643 -7.41813 5.54738 -4.66569 18.5141 -9.40906 2.47532 TIMING: 3628400 CPU: 10514.6, 0.00292968/step Wall: 10514.6, 0.00292968/step, 1.11621 hours remaining, 211.382812 MB of memory in use. ENERGY: 3628400 715.5825 2135.2352 1917.1175 111.0048 -205893.4840 17638.2821 0.0000 0.0000 34372.3855 -149003.8763 300.1826 -183376.2618 -148904.5721 299.6768 -85.9378 -51.0186 557678.1453 14.6135 14.7768 PRESSURE: 3628600 2.6047 -181.275 3.33684 -181.275 164.055 66.0586 3.33679 66.0586 153.72 GPRESSURE: 3628600 16.7719 -129.965 132.791 -66.188 218.02 81.4223 47.1176 67.5586 189.842 PRESSAVG: 3628600 9.04553 -30.3034 54.8201 -30.3033 -32.1066 28.2387 54.8201 28.2388 3.39301 GPRESSAVG: 3628600 6.23692 -30.5066 52.7809 -30.0809 -29.9677 24.9436 57.882 28.861 4.0878 TIMING: 3628600 CPU: 10515.2, 0.00286949/step Wall: 10515.2, 0.00286949/step, 1.09312 hours remaining, 211.382812 MB of memory in use. ENERGY: 3628600 702.6081 2102.4124 1941.1154 102.7563 -205980.7245 17819.9925 0.0000 0.0000 34193.1136 -149118.7261 298.6170 -183311.8397 -149026.8441 299.5261 106.7931 141.5447 556151.4534 -6.5560 -6.5477 PRESSURE: 3628800 -137.721 4.69377 -21.8077 4.6937 -184.545 32.9087 -21.8077 32.9092 71.9108 GPRESSURE: 3628800 -135.698 -112.246 -57.2288 30.7216 -129.28 18.5236 28.6224 83.3907 121.526 PRESSAVG: 3628800 -20.2127 15.45 6.70803 15.45 4.6097 -2.0881 6.70803 -2.08805 -14.9764 GPRESSAVG: 3628800 -18.2732 16.5201 5.99011 15.95 3.56232 -0.781472 5.97705 -1.75913 -15.5842 TIMING: 3628800 CPU: 10515.8, 0.00287877/step Wall: 10515.8, 0.00287877/step, 1.09649 hours remaining, 211.382812 MB of memory in use. ENERGY: 3628800 755.2862 2073.9678 1940.8210 122.1982 -206037.4643 17840.9581 0.0000 0.0000 34196.7879 -149107.4452 298.6491 -183304.2331 -149011.0248 299.2952 -83.4515 -47.8176 558201.0527 -10.1931 -10.0984 PRESSURE: 3629000 -43.1437 43.9627 2.2652 43.9635 -152.161 -28.5739 2.26505 -28.5738 -256.908 GPRESSURE: 3629000 5.31184 -39.5038 -124.194 69.256 -85.9812 8.86088 -7.25342 -29.584 -256.184 PRESSAVG: 3629000 23.573 -71.5314 25.4794 -71.5314 -38.2208 -21.3494 25.4794 -21.3493 15.4352 GPRESSAVG: 3629000 22.7458 -72.1871 26.8728 -70.205 -37.6159 -21.6801 23.7056 -21.1959 15.4402 TIMING: 3629000 CPU: 10516.3, 0.00288807/step Wall: 10516.3, 0.00288807/step, 1.09987 hours remaining, 211.382812 MB of memory in use. ENERGY: 3629000 756.2722 2059.5946 1949.9331 121.8795 -205736.5077 17551.5079 0.0000 0.0000 34206.2122 -149091.1083 298.7314 -183297.3205 -148996.0707 298.9459 -150.7377 -112.2846 558181.4793 0.2625 0.1900 PRESSURE: 3629200 48.4268 -84.0675 7.03198 -84.0683 292.633 -108.131 7.03238 -108.131 -169.421 GPRESSURE: 3629200 84.7999 -8.91204 31.1711 -85.239 348.046 -46.2946 74.3657 -60.3254 -154.652 PRESSAVG: 3629200 43.4898 -15.7621 -3.45118 -15.7621 35.0295 -12.1815 -3.45126 -12.1816 -79.6475 GPRESSAVG: 3629200 43.4766 -15.149 -3.32098 -17.9728 34.8656 -11.274 -1.90671 -13.2092 -79.2956 TIMING: 3629200 CPU: 10516.9, 0.00288044/step Wall: 10516.9, 0.00288044/step, 1.09681 hours remaining, 211.382812 MB of memory in use. ENERGY: 3629200 742.6146 2156.5569 1921.7092 98.2626 -206133.5331 17887.1552 0.0000 0.0000 34269.8824 -149057.3523 299.2874 -183327.2347 -148958.9421 299.2532 57.2131 92.7314 557267.3632 -0.3761 -0.3178 PRESSURE: 3629400 206.666 134.999 59.4455 134.998 140.362 -172.329 59.4458 -172.328 -166 GPRESSURE: 3629400 267.768 41.8144 69.5242 105.483 161.219 -192.834 -3.618 -166.422 -138.84 PRESSAVG: 3629400 -13.3898 -11.6339 7.56162 -11.6339 29.1848 -25.6784 7.56153 -25.6784 17.0185 GPRESSAVG: 3629400 -13.7644 -13.5924 5.20739 -10.1827 28.79 -24.9482 7.56192 -25.5495 17.646 TIMING: 3629400 CPU: 10517.5, 0.00287548/step Wall: 10517.5, 0.00287548/step, 1.09476 hours remaining, 211.382812 MB of memory in use. ENERGY: 3629400 714.2995 2137.7609 1949.8159 107.7434 -206357.9301 17871.5722 0.0000 0.0000 34599.9364 -148976.8018 302.1699 -183576.7382 -148880.0501 300.1791 60.3428 96.7160 556348.1811 10.9378 10.8905 PRESSURE: 3629600 -176.733 88.1428 -194.568 88.1414 -166.997 -79.1679 -194.567 -79.1683 -5.73662 GPRESSURE: 3629600 -132.085 27.6488 -78.0194 194.534 -115.686 -52.5118 -218.69 -33.3565 -1.8694 PRESSAVG: 3629600 28.9896 -21.6493 -14.8451 -21.6494 -46.8198 -52.5174 -14.845 -52.5175 -32.2319 GPRESSAVG: 3629600 29.6696 -19.868 -13.5814 -22.1813 -45.983 -53.0241 -15.3015 -53.34 -33.3392 TIMING: 3629600 CPU: 10518.1, 0.00286369/step Wall: 10518.1, 0.00286369/step, 1.09011 hours remaining, 211.382812 MB of memory in use. ENERGY: 3629600 722.9464 2163.8318 1955.0001 103.0213 -205840.7978 17587.0350 0.0000 0.0000 34283.0551 -149025.9081 299.4024 -183308.9632 -148922.2925 299.6394 -116.4888 -83.2132 558180.5750 -16.6873 -16.5508 PRESSURE: 3629800 84.1872 -226.186 66.8356 -226.186 -116.055 173.652 66.8362 173.651 -75.0011 GPRESSURE: 3629800 92.2273 -286.92 102.695 -159.162 -23.9236 137.247 100.993 236.568 -90.0878 PRESSAVG: 3629800 -24.6214 4.94999 -48.5198 4.94998 -9.22046 4.79124 -48.5199 4.79122 24.6363 GPRESSAVG: 3629800 -24.2212 6.05201 -48.2767 4.15431 -9.38803 4.48511 -49.1747 4.50771 24.5821 TIMING: 3629800 CPU: 10518.6, 0.00287072/step Wall: 10518.6, 0.00287072/step, 1.09263 hours remaining, 211.382812 MB of memory in use. ENERGY: 3629800 765.0779 2149.1705 1961.3309 118.1628 -206483.5526 17961.4913 0.0000 0.0000 34579.6623 -148948.6569 301.9928 -183528.3192 -148852.4106 300.0927 -35.6231 -7.2614 558829.2123 -3.0685 -3.0090 PRESSURE: 3630000 196.448 207.557 -69.1327 207.558 119.255 -90.7542 -69.134 -90.7541 257.263 GPRESSURE: 3630000 210.14 191.76 -93.6556 225.98 186.055 -116.048 -107.564 -209.56 275.784 PRESSAVG: 3630000 20.1651 44.2315 17.0278 44.2315 -30.7043 -6.84848 17.0277 -6.84856 -34.5668 GPRESSAVG: 3630000 19.1286 44.3811 15.6873 43.567 -29.15 -6.97098 17.0039 -6.32045 -34.2257 TIMING: 3630000 CPU: 10519.2, 0.00287582/step Wall: 10519.2, 0.00287582/step, 1.09441 hours remaining, 211.382812 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: 3630000 726.8695 2088.5729 1965.3267 117.0483 -206312.8823 18107.2005 0.0000 0.0000 34387.6099 -148920.2543 300.3156 -183307.8642 -148817.2052 299.6499 190.9890 223.9931 559385.8174 -15.0353 -14.7490 PRESSURE: 3630200 43.8581 172.825 6.82762 172.824 -43.48 177.709 6.82807 177.709 -57.2271 GPRESSURE: 3630200 125.828 265.502 45.8648 101.283 12.3419 169.293 22.9365 187.031 -89.0354 PRESSAVG: 3630200 19.9703 103.462 -35.4371 103.462 14.598 -5.08805 -35.437 -5.08802 -9.47646 GPRESSAVG: 3630200 20.2447 101.934 -34.539 105.506 12.0772 -6.75035 -35.9743 -3.989 -8.06364 TIMING: 3630200 CPU: 10519.8, 0.00289832/step Wall: 10519.8, 0.00289832/step, 1.10281 hours remaining, 211.382812 MB of memory in use. ENERGY: 3630200 793.4893 2076.2839 1951.6492 113.6848 -206130.7557 17772.9308 0.0000 0.0000 34346.7186 -149075.9991 299.9584 -183422.7177 -148980.6355 299.8815 -18.9497 16.3781 558424.5416 8.3639 8.0861 PRESSURE: 3630400 -68.1015 -12.4984 -203.394 -12.4992 -171.238 -107.923 -203.395 -107.922 -141.209 GPRESSURE: 3630400 -17.1303 15.1376 -288.199 15.2812 -133.938 -128.201 -133.573 -39.045 -134.598 PRESSAVG: 3630400 47.4892 16.1808 -47.753 16.1808 15.2282 0.035418 -47.753 0.0352632 -60.1641 GPRESSAVG: 3630400 47.9784 14.238 -47.944 16.3446 16.501 0.575406 -46.9057 1.56953 -61.92 TIMING: 3630400 CPU: 10520.4, 0.00287697/step Wall: 10520.4, 0.00287697/step, 1.09453 hours remaining, 211.382812 MB of memory in use. ENERGY: 3630400 745.1544 2117.0484 1950.5094 99.8279 -205744.5962 17711.0115 0.0000 0.0000 34189.6608 -148931.3837 298.5868 -183121.0446 -148832.8655 299.1352 -126.8494 -95.2221 559918.2347 0.8511 0.8531 PRESSURE: 3630600 146.396 51.6181 -4.8161 51.6177 -156.349 80.8943 -4.81647 80.8947 -312.684 GPRESSURE: 3630600 126.239 18.075 35.258 116.034 -130.657 104.067 -27.5193 37.8279 -224.474 PRESSAVG: 3630600 28.6811 2.18378 -45.927 2.18372 6.75491 -5.89688 -45.927 -5.89697 -6.91998 GPRESSAVG: 3630600 29.0768 5.44877 -48.1191 -0.22192 6.15619 -5.18773 -44.5729 -8.38261 -6.89113 TIMING: 3630600 CPU: 10520.9, 0.00285989/step Wall: 10520.9, 0.00285989/step, 1.08787 hours remaining, 211.382812 MB of memory in use. ENERGY: 3630600 767.7942 2117.7982 1957.7895 128.1754 -205852.6065 17738.2716 0.0000 0.0000 34119.2695 -149023.5082 297.9721 -183142.7777 -148921.5066 299.6842 -107.5458 -76.2975 560780.6386 9.5053 9.4473 PRESSURE: 3630800 30.0395 -170.126 104.245 -170.126 7.45192 -16.0164 104.245 -16.0164 24.151 GPRESSURE: 3630800 77.2528 -107.35 123.198 -190.543 12.6016 -9.3351 65.2373 -30.7647 72.6878 PRESSAVG: 3630800 51.1793 -20.0944 11.0016 -20.0944 -10.1019 7.00557 11.0016 7.00557 -25.4327 GPRESSAVG: 3630800 50.8528 -21.6048 11.7972 -18.3877 -9.27917 5.87411 9.38512 6.8525 -25.4075 TIMING: 3630800 CPU: 10521.5, 0.00288129/step Wall: 10521.5, 0.00288129/step, 1.09585 hours remaining, 211.382812 MB of memory in use. ENERGY: 3630800 767.9412 2117.4013 1938.1250 114.1665 -205671.6378 17695.9114 0.0000 0.0000 34130.6657 -148907.4268 298.0716 -183038.0924 -148813.0640 299.3587 20.5475 54.1807 558389.0077 5.2149 5.3887 PRESSURE: 3631000 -70.8289 76.7904 71.9269 76.7904 -202.672 77.8678 71.9268 77.8669 65.9132 GPRESSURE: 3631000 -26.2377 27.9235 61.8286 168.229 -110.254 52.2799 32.1403 57.3565 16.6232 PRESSAVG: 3631000 -37.8919 2.29923 7.94355 2.29931 90.5749 -63.9114 7.94353 -63.9115 -43.5849 GPRESSAVG: 3631000 -37.9119 3.11949 6.94555 0.31264 90.095 -61.2601 8.43179 -65.2974 -43.0737 TIMING: 3631000 CPU: 10522.1, 0.00289349/step Wall: 10522.1, 0.00289349/step, 1.10033 hours remaining, 211.382812 MB of memory in use. ENERGY: 3631000 777.6534 2074.7530 1952.0364 113.3716 -205733.9885 17626.5754 0.0000 0.0000 34218.4660 -148971.1327 298.8384 -183189.5987 -148872.9997 300.0155 -69.1961 -39.9561 558910.8504 3.0327 3.0364 PRESSURE: 3631200 -246.35 22.9736 -55.9039 22.9731 -108.869 54.4305 -55.9043 54.431 -69.285 GPRESSURE: 3631200 -193.237 33.5104 54.007 -38.7444 -121.519 30.6964 -108.524 36.3862 -10.3417 PRESSAVG: 3631200 -15.1148 -5.77295 -44.5966 -5.77295 -37.6894 -11.4702 -44.5965 -11.4703 52.2441 GPRESSAVG: 3631200 -16.8176 -6.82158 -43.7455 -3.65291 -35.8047 -13.3272 -46.2558 -10.4678 52.0793 TIMING: 3631200 CPU: 10522.7, 0.00289233/step Wall: 10522.7, 0.00289233/step, 1.09973 hours remaining, 211.382812 MB of memory in use. ENERGY: 3631200 751.1788 2112.3013 1947.7566 99.8155 -205620.3009 17405.4770 0.0000 0.0000 34262.4022 -149041.3695 299.2221 -183303.7717 -148939.5132 299.9281 -141.5014 -108.3658 559011.3050 -0.1867 -0.1810 PRESSURE: 3631400 -216.432 -279.695 15.253 -279.697 -111.756 140.324 15.2537 140.324 -240.77 GPRESSURE: 3631400 -222.037 -299.968 52.1032 -237.386 -48.8993 122.53 -44.6432 71.1281 -190.165 PRESSAVG: 3631400 -9.63871 -14.4575 -5.21419 -14.4574 -16.8587 -33.527 -5.21423 -33.527 23.9662 GPRESSAVG: 3631400 -7.71766 -14.8386 -4.91817 -14.8642 -17.2503 -33.6365 -4.8197 -33.5941 22.9531 TIMING: 3631400 CPU: 10523.3, 0.00287883/step Wall: 10523.3, 0.00287883/step, 1.09444 hours remaining, 211.382812 MB of memory in use. ENERGY: 3631400 748.9379 2123.2964 1935.4471 111.4024 -206102.1875 17695.6352 0.0000 0.0000 34325.0246 -149162.4439 299.7690 -183487.4685 -149060.3097 299.9784 -189.6524 -153.7006 558403.0833 -0.8437 -0.6716 PRESSURE: 3631600 -61.4235 17.3601 104.057 17.3604 10.5468 8.89595 104.056 8.89646 339.164 GPRESSURE: 3631600 37.9268 85.0854 -36.898 -15.6928 16.5262 20.4727 285.091 67.7585 325.808 PRESSAVG: 3631600 -7.7044 -3.17988 -2.79516 -3.17987 0.522396 -23.4648 -2.79517 -23.4647 -8.03938 GPRESSAVG: 3631600 -7.88958 -2.96943 -3.65019 -2.79183 0.0241367 -23.0363 -1.86784 -21.6656 -8.59958 TIMING: 3631600 CPU: 10523.8, 0.00288286/step Wall: 10523.8, 0.00288286/step, 1.09581 hours remaining, 211.382812 MB of memory in use. ENERGY: 3631600 750.0390 2059.2467 1962.9332 94.5465 -206144.2445 17862.0418 0.0000 0.0000 34345.8955 -149069.5419 299.9512 -183415.4373 -148968.9039 299.4615 96.0959 126.7535 557894.5196 -5.0738 -5.4883 PRESSURE: 3631800 173.42 -47.2852 146.935 -47.2844 -242.704 -29.9112 146.934 -29.9136 73.1865 GPRESSURE: 3631800 179.181 10.4462 184.292 -57.6203 -177.069 -90.8427 90.5818 -39.5589 91.1312 PRESSAVG: 3631800 -8.47458 19.4675 32.0673 19.4676 -51.8899 -21.8818 32.0673 -21.8818 33.124 GPRESSAVG: 3631800 -8.89597 19.722 33.8514 17.9077 -52.9669 -20.6286 31.7576 -23.5832 34.5523 TIMING: 3631800 CPU: 10524.4, 0.00289351/step Wall: 10524.4, 0.00289351/step, 1.0997 hours remaining, 211.382812 MB of memory in use. ENERGY: 3631800 755.7118 2073.1919 1952.2357 97.1797 -206078.2924 17751.5338 0.0000 0.0000 34347.8739 -149100.5657 299.9685 -183448.4396 -149001.7813 299.2600 1.3005 31.0811 557859.9846 -9.0801 -9.1035 PRESSURE: 3632000 49.2819 88.7543 145.709 88.7546 65.1754 -6.35395 145.709 -6.35242 -51.714 GPRESSURE: 3632000 68.2083 12.4609 170.035 110.103 59.4288 39.2477 81.3281 -55.2051 37.9809 PRESSAVG: 3632000 3.96376 1.48864 -17.4546 1.48869 -42.1905 10.7437 -17.4548 10.7438 19.3776 GPRESSAVG: 3632000 4.94828 1.85508 -17.0639 1.73688 -42.2173 7.89735 -18.3675 11.7866 18.9447 TIMING: 3632000 CPU: 10525, 0.00288844/step Wall: 10525, 0.00288844/step, 1.09761 hours remaining, 211.382812 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: 3632000 755.7523 2074.7644 1944.7901 109.5213 -206474.7833 17996.4228 0.0000 0.0000 34515.2734 -149078.2590 301.4305 -183593.5324 -148984.6349 299.9049 20.9144 55.2060 558566.9374 -6.2830 -6.1081 PRESSURE: 3632200 -99.1785 66.6998 -164.772 66.7017 57.0065 15.3664 -164.772 15.3668 21.4792 GPRESSURE: 3632200 -97.5152 147.246 -130.697 66.7995 69.7395 48.1078 -186.968 54.7356 99.4148 PRESSAVG: 3632200 18.2949 -19.5162 32.6719 -19.5162 -62.4636 -14.29 32.6719 -14.29 43.1503 GPRESSAVG: 3632200 17.9939 -20.1035 31.9159 -17.6529 -62.3185 -12.9782 34.3078 -14.0441 42.9205 TIMING: 3632200 CPU: 10525.6, 0.00287468/step Wall: 10525.6, 0.00287468/step, 1.09222 hours remaining, 211.382812 MB of memory in use. ENERGY: 3632200 740.2393 2115.1362 1958.7672 115.2174 -205988.7256 17735.1240 0.0000 0.0000 34307.8636 -149016.3780 299.6191 -183324.2416 -148917.7450 300.5330 -6.8976 23.8797 558184.0785 -0.3394 -0.4680 LDB: ============= START OF LOAD BALANCING ============== 10528.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10528.9 LDB: =============== DONE WITH MIGRATION ================ 10528.9 LDB: ============= START OF LOAD BALANCING ============== 10529.2 LDB: Largest compute 4773 load 0.025676 is 21.8% of average load 0.118022 LDB: Average compute 0.001733 is 1.5% of average load 0.118022 LDB: TIME 10529.2 LOAD: AVG 0.118022 MAX 0.180171 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.703 MB LDB: TIME 10529.2 LOAD: AVG 0.118022 MAX 0.180171 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.703 MB LDB: TIME 10529.2 LOAD: AVG 0.118022 MAX 0.180171 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10529.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10529.2 PRESSURE: 3632400 23.5054 65.367 -16.1845 65.3673 121.028 -15.0963 -16.1863 -15.0967 39.4281 GPRESSURE: 3632400 20.4774 174.035 -21.1725 54.738 141.033 -64.5599 5.12766 19.5244 131.204 PRESSAVG: 3632400 28.485 -31.9752 -21.6399 -31.9752 -84.1294 -73.5468 -21.6399 -73.5467 72.3923 GPRESSAVG: 3632400 27.6546 -32.5051 -20.8275 -33.8379 -83.6398 -73.5643 -25.069 -73.453 72.1483 TIMING: 3632400 CPU: 10526.1, 0.00293137/step Wall: 10526.1, 0.00293137/step, 1.1136 hours remaining, 210.917969 MB of memory in use. ENERGY: 3632400 759.6613 2103.9156 1946.2033 107.9607 -206343.6229 17910.9288 0.0000 0.0000 34593.2809 -148921.6724 302.1117 -183514.9533 -148829.6093 300.4100 61.3205 97.5715 556840.3430 5.5826 5.3877 PRESSURE: 3632600 -42.9674 -153.866 -118.626 -153.868 -133.404 139.377 -118.626 139.377 151.066 GPRESSURE: 3632600 -5.75172 -160.436 -87.0771 -55.9771 -49.5929 205.183 -68.5539 151.752 122.244 PRESSAVG: 3632600 -36.4086 3.80795 -14.672 3.80785 23.0991 -27.374 -14.6721 -27.3739 57.121 GPRESSAVG: 3632600 -36.2165 4.68162 -15.3454 3.61836 22.168 -26.6537 -13.5686 -26.9861 57.9579 TIMING: 3632600 CPU: 10526.7, 0.00287619/step Wall: 10526.7, 0.00287619/step, 1.09247 hours remaining, 210.917969 MB of memory in use. ENERGY: 3632600 740.4061 2117.3542 1928.2455 114.9151 -206079.8739 17755.1387 0.0000 0.0000 34406.5231 -149017.2913 300.4807 -183423.8144 -148914.7182 300.7395 -8.4354 22.3000 558034.8719 14.6038 14.6365 PRESSURE: 3632800 -46.6013 110.824 28.594 110.824 93.7986 11.2518 28.5932 11.2501 -63.2336 GPRESSURE: 3632800 -111.394 36.6822 82.1377 78.2664 186.57 17.1511 57.7604 54.4562 1.05088 PRESSAVG: 3632800 -17.4452 13.3648 -25.5711 13.3648 -0.845201 -6.28295 -25.571 -6.2831 -16.5109 GPRESSAVG: 3632800 -17.612 12.768 -26.0908 12.7626 -0.113479 -9.2445 -25.0034 -3.52808 -17.3463 TIMING: 3632800 CPU: 10527.3, 0.00289301/step Wall: 10527.3, 0.00289301/step, 1.0987 hours remaining, 210.917969 MB of memory in use. ENERGY: 3632800 752.9133 2129.5354 1952.3993 113.2856 -206223.0710 17855.5251 0.0000 0.0000 34483.8523 -148935.5601 301.1561 -183419.4124 -148841.9245 299.8400 -5.3455 25.4089 558144.4950 -11.6004 -11.6906 PRESSURE: 3633000 -324.175 95.5518 32.7198 95.5521 68.1044 -28.5565 32.7199 -28.5544 -44.5666 GPRESSURE: 3633000 -324.957 82.5778 34.581 65.5919 86.2778 25.3013 16.4567 -99.5609 31.8415 PRESSAVG: 3633000 -22.9883 47.205 -29.7575 47.205 30.5654 18.6632 -29.7576 18.6632 23.6246 GPRESSAVG: 3633000 -23.5679 48.5617 -29.5733 48.4991 29.8102 21.4516 -29.0549 16.9013 25.0408 TIMING: 3633000 CPU: 10527.9, 0.00287577/step Wall: 10527.9, 0.00287577/step, 1.09199 hours remaining, 210.917969 MB of memory in use. ENERGY: 3633000 773.6553 2067.5738 1913.3102 113.5718 -205913.9986 17568.3484 0.0000 0.0000 34615.7479 -148861.7913 302.3079 -183477.5392 -148761.7753 299.8996 -100.2125 -68.9459 558603.5126 10.4006 10.4277 PRESSURE: 3633200 -90.5266 143.361 -112.564 143.361 -322.958 45.8037 -112.565 45.8034 -253.705 GPRESSURE: 3633200 -88.5033 89.9094 -137.111 229.243 -228.054 -153.103 -101.188 131.542 -234.144 PRESSAVG: 3633200 24.754 32.0046 -3.08459 32.0046 2.07315 -21.5659 -3.08468 -21.5659 -35.4118 GPRESSAVG: 3633200 25.4788 30.3304 -2.94075 33.9562 2.26485 -21.9287 -3.28455 -22.0253 -36.5133 TIMING: 3633200 CPU: 10528.5, 0.0028903/step Wall: 10528.5, 0.0028903/step, 1.09735 hours remaining, 210.917969 MB of memory in use. ENERGY: 3633200 755.6148 2108.2100 1964.0038 120.0070 -205647.8319 17494.1027 0.0000 0.0000 34180.2797 -149025.6139 298.5049 -183205.8936 -148928.0746 299.9987 -222.3966 -183.5672 558316.3681 -2.8616 -2.9232 PRESSURE: 3633400 -141.864 -2.61911 -52.0388 -2.61775 -203.111 -64.4188 -52.0397 -64.4187 -272.023 GPRESSURE: 3633400 -52.3139 -38.6144 -92.4919 -5.76596 -175.426 -96.1204 -36.9674 -50.4367 -284.878 PRESSAVG: 3633400 28.7715 19.9918 1.70384 19.9917 24.2575 -22.3692 1.70393 -22.3693 -75.1492 GPRESSAVG: 3633400 29.0002 22.6686 -0.0931546 16.7989 25.1285 -21.283 2.83618 -22.2439 -76.395 TIMING: 3633400 CPU: 10529, 0.00288045/step Wall: 10529, 0.00288045/step, 1.09345 hours remaining, 210.917969 MB of memory in use. ENERGY: 3633400 801.1165 2157.6245 1936.7143 121.4037 -205792.5349 17686.9270 0.0000 0.0000 34040.5997 -149048.1494 297.2850 -183088.7491 -148951.0060 299.5350 -205.6663 -170.8729 558892.8396 -7.3734 -7.4221 PRESSURE: 3633600 -166.387 27.5944 -32.1868 27.5949 -65.1737 1.42163 -32.1869 1.42095 -80.7436 GPRESSURE: 3633600 -68.1157 108.304 17.3422 -13.4499 -110.634 -17.3361 -97.5701 19.6184 -34.3088 PRESSAVG: 3633600 -54.7501 -31.8835 -8.07222 -31.8835 67.9029 -27.9306 -8.07215 -27.9305 20.4095 GPRESSAVG: 3633600 -55.1235 -33.6828 -6.67339 -31.2726 66.9485 -31.0618 -10.2908 -27.5601 21.1081 TIMING: 3633600 CPU: 10529.6, 0.00288726/step Wall: 10529.6, 0.00288726/step, 1.09588 hours remaining, 210.917969 MB of memory in use. ENERGY: 3633600 734.2606 2113.3594 1976.4138 106.4262 -205818.8550 17584.2523 0.0000 0.0000 34209.7506 -149094.3921 298.7623 -183304.1427 -148997.9505 299.3957 -104.1015 -71.0195 558634.3793 11.1874 10.9777 PRESSURE: 3633800 41.9253 102.816 24.1056 102.816 -119.751 -142.811 24.1061 -142.813 141.805 GPRESSURE: 3633800 41.0702 98.3072 78.2744 138.095 -74.4053 -241.311 -67.9168 -118.945 200.139 PRESSAVG: 3633800 20.3121 64.324 -25.9622 64.3239 -24.6388 -60.9046 -25.9621 -60.9046 -23.1195 GPRESSAVG: 3633800 19.9816 63.2319 -27.1437 63.0673 -24.4703 -56.9839 -23.3777 -61.2514 -22.8581 TIMING: 3633800 CPU: 10530.2, 0.00288239/step Wall: 10530.2, 0.00288239/step, 1.09387 hours remaining, 210.917969 MB of memory in use. ENERGY: 3633800 768.4130 2029.9557 1949.0154 113.3566 -206252.6373 17966.1930 0.0000 0.0000 34356.4434 -149069.2601 300.0434 -183425.7035 -148962.6055 300.0050 21.3264 55.6012 559047.7193 -9.1487 -9.1156 PRESSURE: 3634000 63.3769 59.5025 -122.39 59.5018 199.542 -89.9645 -122.389 -89.9637 36.8731 GPRESSURE: 3634000 105.092 -13.8253 -65.9754 62.1106 264.35 -181.516 -179.463 -45.1794 35.0856 PRESSAVG: 3634000 3.86665 -4.16756 12.6313 -4.16766 -61.345 -5.54754 12.6313 -5.54762 61.5776 GPRESSAVG: 3634000 4.92852 -2.48814 14.6577 -1.84373 -62.0229 -9.98978 9.37563 -2.43953 61.3429 TIMING: 3634000 CPU: 10530.8, 0.00287362/step Wall: 10530.8, 0.00287362/step, 1.09038 hours remaining, 210.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3634000 761.9043 2113.1073 1950.0465 108.0142 -206704.4268 18041.1406 0.0000 0.0000 34645.2197 -149084.9941 302.5653 -183730.2138 -148987.1494 299.8521 99.9306 134.8423 556619.8346 1.3664 1.4162 PRESSURE: 3634200 -17.3219 -6.43435 -7.50273 -6.43478 -81.6635 -228.319 -7.50185 -228.319 -3.23798 GPRESSURE: 3634200 18.7474 -23.7339 57.5371 -43.627 -78.2479 -171.026 -23.3514 -200.487 40.6456 PRESSAVG: 3634200 27.0354 -13.6217 -21.765 -13.6217 14.8752 -9.35491 -21.765 -9.35494 -40.6706 GPRESSAVG: 3634200 25.2788 -13.8428 -23.5862 -15.8359 14.9257 -7.58945 -20.0908 -11.2768 -39.0898 TIMING: 3634200 CPU: 10531.3, 0.00286366/step Wall: 10531.3, 0.00286366/step, 1.08644 hours remaining, 210.917969 MB of memory in use. ENERGY: 3634200 723.5006 2131.0448 1949.0208 113.1289 -205974.8535 17717.0720 0.0000 0.0000 34476.6128 -148864.4737 301.0928 -183341.0864 -148772.4904 300.2704 -34.0745 -6.2850 557046.5525 0.4133 0.3716 PRESSURE: 3634400 -18.4354 87.4791 -84.0519 87.4789 -115.732 22.8006 -84.0522 22.8006 -30.9105 GPRESSURE: 3634400 -13.0055 122.714 -224.819 9.62566 -136.26 4.13618 -63.361 34.9035 81.5314 PRESSAVG: 3634400 10.4128 2.81571 8.28659 2.81583 11.0565 -53.4859 8.28655 -53.486 -13.3487 GPRESSAVG: 3634400 11.3453 2.97983 7.7551 4.14904 10.151 -53.7199 8.55772 -54.5825 -13.3517 TIMING: 3634400 CPU: 10531.9, 0.00287115/step Wall: 10531.9, 0.00287115/step, 1.08912 hours remaining, 210.917969 MB of memory in use. ENERGY: 3634400 740.9380 2032.8317 1963.4030 104.2023 -205598.4954 17641.9525 0.0000 0.0000 34199.3996 -148915.7682 298.6719 -183115.1679 -148821.1681 300.9429 -55.0260 -22.5781 558173.9523 2.7069 2.7149 PRESSURE: 3634600 -34.5852 -40.6351 -123.536 -40.6365 -265.493 -64.209 -123.538 -64.2085 -240.142 GPRESSURE: 3634600 -0.140445 76.0393 -46.3863 -132.441 -214.831 -47.3167 -157.914 -132.986 -213.179 PRESSAVG: 3634600 87.7743 54.5861 -48.3133 54.586 -14.6067 -24.6133 -48.3134 -24.6134 10.7867 GPRESSAVG: 3634600 88.3391 53.3585 -46.0645 54.003 -13.8484 -23.4203 -47.4144 -26.2112 10.0631 TIMING: 3634600 CPU: 10532.5, 0.00286226/step Wall: 10532.5, 0.00286226/step, 1.08559 hours remaining, 210.917969 MB of memory in use. ENERGY: 3634600 781.5706 2088.0830 1938.6144 117.5751 -205735.7874 17419.4378 0.0000 0.0000 34441.8005 -148948.7059 300.7888 -183390.5064 -148848.5805 300.1265 -180.0736 -142.7171 555927.6884 27.9848 28.1846 PRESSURE: 3634800 115.075 156.307 -77.7744 156.308 -3.81027 -38.3147 -77.7754 -38.3138 97.6737 GPRESSURE: 3634800 170.917 43.4487 19.5473 157.047 4.25852 -41.0632 -170.543 -9.2541 122.254 PRESSAVG: 3634800 20.3862 27.3944 -9.99207 27.3946 50.0752 -64.1684 -9.99201 -64.1683 -42.1799 GPRESSAVG: 3634800 20.3093 27.2012 -9.69999 27.4717 49.1454 -66.2601 -11.2069 -62.6826 -41.5863 TIMING: 3634800 CPU: 10533.1, 0.00289477/step Wall: 10533.1, 0.00289478/step, 1.09776 hours remaining, 210.917969 MB of memory in use. ENERGY: 3634800 803.7583 2037.6907 1949.1125 124.9086 -205750.4873 17672.1948 0.0000 0.0000 34055.9133 -149106.9093 297.4188 -183162.8226 -149016.8032 300.4774 69.6462 99.1432 555746.1709 9.4272 9.2895 PRESSURE: 3635000 -205.737 -12.4627 182.086 -12.4634 174.852 -98.8361 182.086 -98.8366 -45.4803 GPRESSURE: 3635000 -208.059 -7.52081 184.848 -14.8591 206.866 -98.6955 90.1945 -144.983 35.4307 PRESSAVG: 3635000 -10.3594 25.5671 59.9006 25.5671 71.8134 -47.7175 59.9006 -47.7175 -34.2313 GPRESSAVG: 3635000 -10.8876 27.0097 59.8328 26.8952 72.7097 -46.4035 61.3929 -47.6261 -34.3041 TIMING: 3635000 CPU: 10533.6, 0.0028694/step Wall: 10533.6, 0.0028694/step, 1.08798 hours remaining, 210.917969 MB of memory in use. ENERGY: 3635000 781.6608 2053.5118 1925.7856 108.1581 -205945.0020 17741.2413 0.0000 0.0000 34112.6934 -149221.9509 297.9146 -183334.6443 -149128.6236 298.7642 -25.4552 11.4127 557481.2292 9.0742 9.1727 PRESSURE: 3635200 -48.9032 -50.0706 59.8672 -50.0715 -43.0384 -22.7797 59.8691 -22.7806 120.54 GPRESSURE: 3635200 -25.078 -4.91898 10.2364 -60.5866 16.2983 -20.6177 81.2539 -6.19798 148.916 PRESSAVG: 3635200 -23.9936 -21.5353 -6.43493 -21.5353 12.4732 35.7807 -6.43489 35.7807 34.1951 GPRESSAVG: 3635200 -23.8155 -21.423 -3.31499 -25.0052 12.3567 34.1473 -10.5345 36.925 33.3845 TIMING: 3635200 CPU: 10534.2, 0.00289343/step Wall: 10534.2, 0.00289343/step, 1.09693 hours remaining, 210.917969 MB of memory in use. ENERGY: 3635200 730.5967 2078.1703 1929.7584 116.3978 -206115.8965 17725.8949 0.0000 0.0000 34250.4944 -149284.5840 299.1181 -183535.0784 -149187.4123 298.9511 9.5328 46.7120 556653.3396 7.5582 7.3086 PRESSURE: 3635400 -367.585 58.349 105.438 58.3503 -150.836 53.0319 105.438 53.0314 -274.676 GPRESSURE: 3635400 -355.485 91.6163 80.04 9.51153 -151.53 79.2124 89.5214 110.593 -181.24 PRESSAVG: 3635400 20.0974 49.7491 -6.68919 49.749 -15.8051 -22.5274 -6.68914 -22.5274 -10.9452 GPRESSAVG: 3635400 19.7626 49.8133 -10.5833 52.9909 -16.1022 -22.068 -4.6629 -22.4664 -10.5509 TIMING: 3635400 CPU: 10534.8, 0.00289661/step Wall: 10534.8, 0.00289661/step, 1.09798 hours remaining, 210.917969 MB of memory in use. ENERGY: 3635400 748.3265 2041.2051 1944.4737 103.6120 -205808.7364 17434.5474 0.0000 0.0000 34096.3850 -149440.1866 297.7722 -183536.5716 -149339.0379 298.0641 -264.3657 -229.4183 558280.8262 -2.2177 -2.2968 PRESSURE: 3635600 -261.382 -148.789 36.9584 -148.787 -154.16 126.116 36.9577 126.116 -52.3294 GPRESSURE: 3635600 -226.459 -129.87 37.0616 -166.091 -140.402 91.0678 42.1918 143.397 1.80031 PRESSAVG: 3635600 38.8273 -10.8311 50.1411 -10.8311 1.54048 61.7495 50.1412 61.7495 5.65608 GPRESSAVG: 3635600 39.4626 -12.9286 50.5373 -9.91311 1.39574 61.4895 50.1744 60.683 5.49141 TIMING: 3635600 CPU: 10535.4, 0.00288467/step Wall: 10535.4, 0.00288467/step, 1.09329 hours remaining, 210.917969 MB of memory in use. ENERGY: 3635600 733.9367 2147.3766 1925.6885 107.6840 -206340.4633 17696.3509 0.0000 0.0000 34243.4192 -149486.0073 299.0563 -183729.4265 -149393.8949 298.5944 -155.9570 -121.6870 558579.2510 15.3413 15.4499 PRESSURE: 3635800 -41.5948 -34.0546 152.674 -34.0546 -85.475 71.3266 152.674 71.3259 -307.553 GPRESSURE: 3635800 -13.4957 -14.0914 79.0843 -45.364 -122.436 77.4657 247.132 103.522 -217.12 PRESSAVG: 3635800 -0.46262 -22.8584 -65.7047 -22.8583 31.9143 30.4509 -65.7047 30.4508 18.4499 GPRESSAVG: 3635800 -1.17319 -22.1821 -66.0382 -22.4837 33.9748 32.3683 -65.2877 27.9214 17.3732 TIMING: 3635800 CPU: 10535.9, 0.00285555/step Wall: 10535.9, 0.00285555/step, 1.08209 hours remaining, 210.917969 MB of memory in use. ENERGY: 3635800 699.5286 2062.6759 1927.8589 108.4059 -206019.2218 17550.4101 0.0000 0.0000 34053.8992 -149616.4433 297.4012 -183670.3425 -149518.3291 298.3307 -144.8742 -117.6837 559124.6809 16.6339 16.7249 PRESSURE: 3636000 -264.218 96.6606 -133.155 96.6611 -296.534 131.561 -133.155 131.561 55.6694 GPRESSURE: 3636000 -196.52 83.1822 -70.5722 74.6086 -322.613 68.5396 -127.237 139.565 119.385 PRESSAVG: 3636000 42.4869 29.8259 -55.0261 29.8258 -1.48423 33.0686 -55.026 33.0686 -36.1837 GPRESSAVG: 3636000 42.4015 31.4208 -54.8301 27.3441 -1.84626 30.9458 -55.6802 37.1258 -35.9248 TIMING: 3636000 CPU: 10536.5, 0.00285616/step Wall: 10536.5, 0.00285616/step, 1.08217 hours remaining, 210.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3636000 719.5608 2059.7496 1969.1461 105.7501 -206088.7700 17671.0503 0.0000 0.0000 34033.2215 -149530.2917 297.2206 -183563.5132 -149433.2301 298.0003 -168.3608 -133.2494 558823.0121 1.6063 1.5435 PRESSURE: 3636200 145.019 -31.0864 6.17181 -31.0864 187.899 -20.796 6.1732 -20.7963 91.8201 GPRESSURE: 3636200 189.553 -59.7935 31.6495 -20.4068 217.315 24.0403 42.5688 -83.8534 114.687 PRESSAVG: 3636200 42.3153 11.7928 -7.28821 11.7928 1.14022 45.5643 -7.28832 45.5643 -21.3748 GPRESSAVG: 3636200 43.5658 9.70278 -8.41809 13.2991 -0.341198 45.3834 -7.71892 42.5074 -21.1111 TIMING: 3636200 CPU: 10537.1, 0.00286942/step Wall: 10537.1, 0.00286942/step, 1.08703 hours remaining, 210.917969 MB of memory in use. ENERGY: 3636200 687.4192 2107.4154 1940.7021 121.8855 -206216.6795 17990.2941 0.0000 0.0000 34042.5539 -149326.4092 297.3021 -183368.9631 -149237.8692 298.6757 141.5793 173.8518 557679.9399 7.3602 7.3712 LDB: ============= START OF LOAD BALANCING ============== 10540.5 LDB: ============== END OF LOAD BALANCING =============== 10540.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10540.5 LDB: ============= START OF LOAD BALANCING ============== 10540.8 LDB: Largest compute 4773 load 0.026040 is 22.1% of average load 0.118051 LDB: Average compute 0.001738 is 1.5% of average load 0.118051 LDB: TIME 10540.8 LOAD: AVG 0.118051 MAX 0.179313 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.211 MB LDB: TIME 10540.8 LOAD: AVG 0.118051 MAX 0.179313 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.211 MB LDB: TIME 10540.8 LOAD: AVG 0.118051 MAX 0.179313 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10540.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10540.8 PRESSURE: 3636400 -236.033 -65.0568 -76.6315 -65.0556 90.6718 63.183 -76.632 63.182 -191.99 GPRESSURE: 3636400 -177.923 10.2728 -100.597 61.5509 96.8488 65.0559 -34.0258 37.4486 -150.708 PRESSAVG: 3636400 -52.606 -29.3687 -27.8431 -29.3688 25.0912 36.9654 -27.8431 36.9655 39.962 GPRESSAVG: 3636400 -52.5432 -30.1258 -26.2573 -27.1375 26.3931 36.865 -27.8519 39.7934 38.5536 TIMING: 3636400 CPU: 10537.7, 0.00294256/step Wall: 10537.7, 0.00294256/step, 1.11458 hours remaining, 211.691406 MB of memory in use. ENERGY: 3636400 730.9438 2076.5719 1935.2630 111.6270 -206024.0240 17698.0825 0.0000 0.0000 34184.0749 -149287.4610 298.5380 -183471.5358 -149185.1029 298.8263 -112.4505 -77.2609 559390.6132 4.1491 4.1345 PRESSURE: 3636600 -88.2258 75.4847 -9.55746 75.4845 -48.1383 -65.8412 -9.55765 -65.8406 -253.029 GPRESSURE: 3636600 -88.2977 46.403 -67.8487 127.862 10.1362 -57.0432 -14.8832 -40.7223 -225.153 PRESSAVG: 3636600 30.1034 -23.2233 35.491 -23.2232 20.0431 -37.3366 35.4909 -37.3366 -44.3978 GPRESSAVG: 3636600 30.6248 -21.7883 34.9346 -24.0157 18.7873 -36.0883 34.0356 -37.83 -43.714 TIMING: 3636600 CPU: 10538.2, 0.00287338/step Wall: 10538.2, 0.00287338/step, 1.08821 hours remaining, 211.691406 MB of memory in use. ENERGY: 3636600 729.2741 2075.1532 1955.3773 111.1043 -205933.4289 17602.8546 0.0000 0.0000 34278.2781 -149181.3872 299.3607 -183459.6653 -149086.1252 298.4259 -129.7978 -101.1048 557558.6616 1.9162 1.8994 PRESSURE: 3636800 88.6457 -269.289 153.703 -269.288 -113.398 -101.287 153.704 -101.287 -136.204 GPRESSURE: 3636800 100.015 -351.685 137.793 -232.692 -112.921 -110.635 176.278 -141.526 -47.2744 PRESSAVG: 3636800 -26.5478 -1.79522 31.2993 -1.79525 -25.1224 -1.90337 31.2995 -1.90346 67.1292 GPRESSAVG: 3636800 -28.0577 -2.75799 30.5003 -3.08327 -24.5049 -3.31253 33.0422 -2.94814 68.4874 TIMING: 3636800 CPU: 10538.8, 0.00286653/step Wall: 10538.8, 0.00286653/step, 1.08546 hours remaining, 211.691406 MB of memory in use. ENERGY: 3636800 743.8735 2086.4721 1928.8342 104.8604 -206111.9779 17868.6277 0.0000 0.0000 34305.0912 -149074.2188 299.5949 -183379.3100 -148984.2914 299.3934 -53.6520 -20.0604 558265.2990 5.1530 5.3083 PRESSURE: 3637000 46.8045 -23.9477 -219.351 -23.9481 -211.039 -63.1581 -219.352 -63.1595 155.72 GPRESSURE: 3637000 92.5335 -62.5675 -150.742 -7.74035 -167.504 -63.0004 -276.399 -21.1827 173.66 PRESSAVG: 3637000 9.10266 9.45741 29.8689 9.45741 -107.715 -66.0596 29.869 -66.0595 68.4767 GPRESSAVG: 3637000 9.79343 11.142 30.7177 10.1613 -107.226 -64.0207 27.6434 -64.6587 67.0284 TIMING: 3637000 CPU: 10539.4, 0.00286009/step Wall: 10539.4, 0.00286009/step, 1.08286 hours remaining, 211.691406 MB of memory in use. ENERGY: 3637000 761.9988 2092.6296 1925.1823 110.5927 -206288.6759 18031.7932 0.0000 0.0000 34049.0825 -149317.3967 297.3591 -183366.4793 -149225.2220 299.1507 -2.8381 32.8967 559044.2869 -10.0451 -10.1349 PRESSURE: 3637200 310.393 3.1581 -70.3011 3.16001 -41.245 -18.8098 -70.3019 -18.811 114.278 GPRESSURE: 3637200 364.663 -35.0113 -111.102 -14.7985 -57.0131 -98.6273 14.3508 20.2619 174.274 PRESSAVG: 3637200 70.9344 -50.5951 -59.5703 -50.595 -5.76309 -17.8278 -59.5702 -17.8277 5.93623 GPRESSAVG: 3637200 71.0673 -50.0552 -61.5962 -52.4304 -6.33074 -19.4217 -56.5914 -18.5339 6.96832 TIMING: 3637200 CPU: 10540, 0.00287042/step Wall: 10540, 0.00287042/step, 1.08661 hours remaining, 211.691406 MB of memory in use. ENERGY: 3637200 764.0166 2054.2684 1941.5773 116.5871 -206809.6272 18208.5582 0.0000 0.0000 34428.0139 -149296.6058 300.6684 -183724.6197 -149202.3103 298.9226 127.8088 160.6416 556938.5929 23.7025 23.9016 PRESSURE: 3637400 -11.755 -13.2108 58.4809 -13.2106 97.0856 -18.9655 58.4823 -18.9649 -380.838 GPRESSURE: 3637400 3.16909 10.8759 39.9558 12.0929 165.971 -18.7465 84.2598 -40.2155 -364.636 PRESSAVG: 3637400 26.0368 -33.8376 40.9713 -33.8375 -4.68278 -45.2766 40.9713 -45.2766 -13.8729 GPRESSAVG: 3637400 26.1805 -35.7654 42.0058 -32.8867 -3.9973 -42.3362 39.4698 -45.6946 -14.4802 TIMING: 3637400 CPU: 10540.5, 0.00287636/step Wall: 10540.5, 0.00287636/step, 1.0887 hours remaining, 211.691406 MB of memory in use. ENERGY: 3637400 730.1095 2007.3670 1935.7841 105.5061 -206081.2882 17645.9520 0.0000 0.0000 34298.7471 -149357.8224 299.5395 -183656.5695 -149259.4284 298.9964 -98.5023 -65.1652 558056.2554 2.4937 2.5677 PRESSURE: 3637600 158.742 74.8642 -64.849 74.8636 260.76 -90.7185 -64.8499 -90.7179 152.966 GPRESSURE: 3637600 195.68 33.5211 -68.9988 88.3185 235.611 -104.805 -59.4288 -127.655 226.407 PRESSAVG: 3637600 -28.4633 -2.29339 -31.0387 -2.29339 -31.2622 -60.2865 -31.0388 -60.2864 10.1716 GPRESSAVG: 3637600 -28.8324 -2.35996 -29.4523 -0.567589 -31.2121 -60.9337 -31.8089 -59.8667 10.1732 TIMING: 3637600 CPU: 10541.1, 0.00290601/step Wall: 10541.1, 0.00290601/step, 1.09976 hours remaining, 211.691406 MB of memory in use. ENERGY: 3637600 743.2969 2126.1070 1951.2937 128.3544 -206717.9920 18141.0803 0.0000 0.0000 34293.4803 -149334.3794 299.4935 -183627.8597 -149244.3913 298.3748 190.8229 219.2326 556799.4042 -16.5180 -16.6238 PRESSURE: 3637800 129.974 190.091 -63.6765 190.092 14.0479 -60.8349 -63.6765 -60.8347 -51.5171 GPRESSURE: 3637800 151.401 176.257 -45.0945 202.706 39.5495 -49.1725 -86.6295 -136.611 7.38611 PRESSAVG: 3637800 -16.5291 -71.3396 31.6806 -71.3396 10.1549 -58.6492 31.6806 -58.6491 24.1033 GPRESSAVG: 3637800 -16.41 -71.2486 29.6621 -72.5772 10.6572 -61.7235 33.4201 -58.2926 24.2193 TIMING: 3637800 CPU: 10541.7, 0.00289841/step Wall: 10541.7, 0.00289841/step, 1.09673 hours remaining, 211.691406 MB of memory in use. ENERGY: 3637800 724.0432 2094.7730 1946.5647 104.0897 -206369.0409 17967.8422 0.0000 0.0000 34211.3873 -149320.3408 298.7766 -183531.7281 -149225.5336 299.1671 30.8349 66.1122 556462.3230 5.9097 6.1555 PRESSURE: 3638000 124.783 49.3511 -43.9036 49.35 -57.8305 86.9158 -43.9017 86.9175 -37.4252 GPRESSURE: 3638000 166.334 39.6984 -70.2558 27.4124 -10.3502 80.1065 -66.0642 63.7676 -30.078 PRESSAVG: 3638000 -9.62986 4.79565 31.4997 4.79567 3.58579 25.0157 31.4998 25.0156 44.7444 GPRESSAVG: 3638000 -9.44978 6.56079 31.6489 5.43309 3.57235 25.6029 32.2845 24.572 44.9974 TIMING: 3638000 CPU: 10542.3, 0.0028578/step Wall: 10542.3, 0.0028578/step, 1.0812 hours remaining, 211.691406 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: 3638000 765.3052 2131.7380 1952.7066 107.7248 -206233.3835 17852.0478 0.0000 0.0000 34164.3504 -149259.5107 298.3658 -183423.8611 -149173.6285 298.6260 9.8424 41.9685 557501.7791 12.9001 13.0400 PRESSURE: 3638200 -108.617 -93.5189 163.256 -93.5203 -65.8205 -13.9451 163.256 -13.9451 -56.7699 GPRESSURE: 3638200 -59.4602 -103.992 130.361 -71.483 -50.4339 3.03828 151.043 -12.4623 -25.5799 PRESSAVG: 3638200 -37.1252 15.8809 1.15646 15.8809 32.2249 69.4343 1.15646 69.4343 24.9969 GPRESSAVG: 3638200 -37.5952 14.4249 0.945177 16.008 32.5629 72.3391 1.254 69.0581 24.8795 TIMING: 3638200 CPU: 10542.8, 0.00286988/step Wall: 10542.8, 0.00286988/step, 1.08561 hours remaining, 211.691406 MB of memory in use. ENERGY: 3638200 754.8617 2078.7628 1928.8411 114.0910 -206254.8576 17708.5008 0.0000 0.0000 34352.5280 -149317.2722 300.0092 -183669.8001 -149221.6901 299.4797 -77.0691 -45.1580 558093.5221 6.6988 6.6157 PRESSURE: 3638400 363.22 -0.457553 -11.9344 -0.457854 203.58 -24.895 -11.9342 -24.8958 385.058 GPRESSURE: 3638400 441.908 -24.1638 -15.4561 63.3116 197.298 53.9282 46.0373 -11.992 421.542 PRESSAVG: 3638400 -16.4136 -27.3283 27.4679 -27.3283 -18.5823 8.20883 27.4679 8.20884 3.17316 GPRESSAVG: 3638400 -15.0394 -27.9768 29.5403 -26.7554 -20.2058 8.41934 27.9573 8.88133 3.85352 TIMING: 3638400 CPU: 10543.4, 0.00287188/step Wall: 10543.4, 0.00287188/step, 1.08621 hours remaining, 211.691406 MB of memory in use. ENERGY: 3638400 726.9631 2045.6068 1931.4726 118.2422 -206588.0794 18129.0745 0.0000 0.0000 34254.3637 -149382.3564 299.1519 -183636.7201 -149283.0762 298.4862 317.2863 353.5828 556208.0900 -10.6076 -10.4639 PRESSURE: 3638600 -222.627 178.067 -138.191 178.067 -161.503 -53.577 -138.192 -53.5774 -151.609 GPRESSURE: 3638600 -228.478 165.003 -143.483 128.117 -125.476 -2.93209 -40.2399 -85.5455 -74.9507 PRESSAVG: 3638600 44.873 -11.7176 -35.3785 -11.7174 10.4676 -17.9945 -35.3785 -17.9944 -7.27462 GPRESSAVG: 3638600 42.8052 -9.58215 -35.6893 -13.2576 12.6193 -19.956 -36.3161 -18.3966 -7.16898 TIMING: 3638600 CPU: 10544, 0.00288196/step Wall: 10544, 0.00288196/step, 1.08986 hours remaining, 211.691406 MB of memory in use. ENERGY: 3638600 782.1930 2067.6763 1913.8582 120.1357 -206243.8525 17600.0409 0.0000 0.0000 34367.3256 -149392.6228 300.1384 -183759.9483 -149294.9647 298.8814 -178.5797 -142.9680 556851.4181 16.0220 16.0852 PRESSURE: 3638800 -226.281 104.234 8.38256 104.234 -257.854 70.0011 8.38338 69.9989 -47.2027 GPRESSURE: 3638800 -214.967 51.6068 -8.78151 52.3049 -214.176 0.0152985 -71.6057 127.312 -14.9383 PRESSAVG: 3638800 -20.8016 -21.2606 -112.434 -21.2605 30.5307 -34.5799 -112.434 -34.5799 19.2337 GPRESSAVG: 3638800 -20.0921 -23.3471 -114.577 -18.978 29.3615 -33.6407 -114.242 -33.807 19.1862 TIMING: 3638800 CPU: 10544.6, 0.00288096/step Wall: 10544.6, 0.00288096/step, 1.08932 hours remaining, 211.691406 MB of memory in use. ENERGY: 3638800 739.9667 2114.1512 1963.3954 125.3219 -206362.3783 17745.1099 0.0000 0.0000 34334.4633 -149339.9698 299.8514 -183674.4331 -149243.5164 299.6602 -177.1129 -148.0271 557281.7566 9.6542 9.4852 PRESSURE: 3639000 54.754 -77.8291 -5.75848 -77.8289 43.0238 -104.322 -5.75778 -104.319 53.9444 GPRESSURE: 3639000 30.5056 27.6689 -10.5501 -145.398 137.26 -58.5649 -69.8239 -106.018 76.3067 PRESSAVG: 3639000 25.1194 28.6238 -41.4741 28.6239 38.7008 -41.1566 -41.4742 -41.1566 -26.4267 GPRESSAVG: 3639000 25.2646 29.4681 -41.2366 27.9354 38.709 -42.359 -40.59 -40.5394 -26.5764 TIMING: 3639000 CPU: 10545.2, 0.00290214/step Wall: 10545.2, 0.00290214/step, 1.09717 hours remaining, 211.691406 MB of memory in use. ENERGY: 3639000 735.0042 2118.2775 1980.7782 100.0498 -206408.6482 17784.0329 0.0000 0.0000 34454.0955 -149236.4100 300.8962 -183690.5055 -149136.4075 299.6069 50.5741 81.3575 557480.4839 12.4645 12.4657 PRESSURE: 3639200 97.5835 31.2526 70.8919 31.2518 72.6257 286.714 70.8916 286.713 4.48315 GPRESSURE: 3639200 92.8348 47.5545 27.8165 -31.4397 123.337 243.659 185.871 243.986 52.5552 PRESSAVG: 3639200 -28.3108 -16.2323 52.2874 -16.2324 13.2142 -28.42 52.2874 -28.42 6.80663 GPRESSAVG: 3639200 -29.4929 -16.4614 54.112 -17.9725 13.9966 -28.2207 53.682 -28.9838 6.80897 TIMING: 3639200 CPU: 10545.7, 0.00289588/step Wall: 10545.7, 0.00289588/step, 1.09464 hours remaining, 211.691406 MB of memory in use. ENERGY: 3639200 771.2967 2126.7948 1927.9823 112.2392 -206541.9804 18021.2898 0.0000 0.0000 34287.5290 -149294.8487 299.4415 -183582.3776 -149199.7883 299.3881 58.2308 89.5756 556898.7189 -2.7633 -2.8958 PRESSURE: 3639400 -45.9346 -69.3394 5.98983 -69.3394 -27.7147 68.2029 5.98827 68.202 -47.6989 GPRESSURE: 3639400 -16.9849 -141.948 -1.64957 -29.6321 3.7278 89.8882 47.9538 -15.8196 -7.32299 PRESSAVG: 3639400 -51.2656 44.3923 32.394 44.3923 31.5928 -29.9133 32.394 -29.9133 66.5014 GPRESSAVG: 3639400 -51.3364 44.7971 31.3545 45.5458 30.7301 -30.0659 32.8805 -30.8063 67.4833 TIMING: 3639400 CPU: 10546.3, 0.00285182/step Wall: 10546.3, 0.00285182/step, 1.07783 hours remaining, 211.691406 MB of memory in use. ENERGY: 3639400 748.2809 2151.5603 1940.7796 118.2977 -206417.8307 17852.5349 0.0000 0.0000 34288.2871 -149318.0902 299.4481 -183606.3774 -149219.7230 299.2334 -40.4494 -6.8600 557567.7001 15.6096 15.6257 PRESSURE: 3639600 -297.367 89.4901 129.866 89.4899 21.1304 -6.87154 129.866 -6.87266 -130.907 GPRESSURE: 3639600 -253.075 13.9806 63.8018 140.983 30.7942 -44.0269 117.154 13.7886 -87.1553 PRESSAVG: 3639600 -30.3679 -11.9474 -5.80915 -11.9474 -9.67968 -57.694 -5.80921 -57.6939 35.8705 GPRESSAVG: 3639600 -29.9537 -11.8065 -5.45852 -11.0393 -8.49573 -56.901 -5.90585 -57.5557 34.1893 TIMING: 3639600 CPU: 10546.9, 0.00285499/step Wall: 10546.9, 0.00285499/step, 1.07887 hours remaining, 211.691406 MB of memory in use. ENERGY: 3639600 741.8658 2122.0101 1950.2833 109.1842 -205910.6411 17559.0626 0.0000 0.0000 34299.6182 -149128.6169 299.5471 -183428.2351 -149031.3936 299.0079 -135.7146 -103.1455 557124.5464 -1.3924 -1.4200 PRESSURE: 3639800 44.4748 -87.3981 -14.6522 -87.3979 -497.575 -72.8927 -14.6519 -72.8919 -379.028 GPRESSURE: 3639800 40.3736 -118.052 -30.6841 -76.8537 -405.258 4.86082 -16.1541 -86.2422 -365.824 PRESSAVG: 3639800 32.2912 53.4778 14.5289 53.4777 53.233 -38.5505 14.5289 -38.5504 -50.1174 GPRESSAVG: 3639800 31.8491 54.8186 11.8653 51.6365 52.6099 -39.9875 13.9234 -36.7829 -49.6716 TIMING: 3639800 CPU: 10547.5, 0.00286872/step Wall: 10547.5, 0.00286872/step, 1.0839 hours remaining, 211.691406 MB of memory in use. ENERGY: 3639800 755.6321 2095.9161 1975.2564 108.8494 -205735.1123 17431.7212 0.0000 0.0000 34451.2555 -148916.4815 300.8714 -183367.7371 -148821.0952 300.0417 -277.3763 -243.5693 557878.2532 11.8022 11.5958 PRESSURE: 3640000 -279.34 37.4551 14.5188 37.4537 -209.769 93.1751 14.5192 93.1752 62.7367 GPRESSURE: 3640000 -221.949 105.24 60.8351 -45.4865 -164.96 106.122 -27.5361 102.784 51.8704 PRESSAVG: 3640000 6.44141 37.8114 -17.7123 37.8114 -43.54 23.3261 -17.7122 23.3261 15.7738 GPRESSAVG: 3640000 7.00731 37.6413 -14.1646 39.7249 -44.0321 24.0012 -20.693 23.1346 15.8186 TIMING: 3640000 CPU: 10548, 0.00284511/step Wall: 10548, 0.00284511/step, 1.07482 hours remaining, 211.691406 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: 3640000 761.1576 2190.4496 1956.3080 132.2187 -205892.0293 17675.1157 0.0000 0.0000 34433.6373 -148743.1424 300.7175 -183176.7797 -148656.5004 301.4419 -142.1240 -111.6792 557837.1772 -7.1083 -7.0687 PRESSURE: 3640200 85.3477 -20.9269 26.2117 -20.9264 -78.1876 73.1811 26.2121 73.1785 32.506 GPRESSURE: 3640200 103.413 18.1287 39.3227 -7.95913 -47.8321 95.0485 41.8944 140.235 65.1172 PRESSAVG: 3640200 1.75102 3.07908 5.53431 3.07913 -17.4107 -5.91492 5.5343 -5.91491 -4.57626 GPRESSAVG: 3640200 1.56794 2.45603 6.24623 0.734486 -17.1934 -6.95439 8.16571 -8.13121 -5.07456 TIMING: 3640200 CPU: 10548.6, 0.00285007/step Wall: 10548.6, 0.00285007/step, 1.07653 hours remaining, 211.691406 MB of memory in use. ENERGY: 3640200 722.1162 2136.7260 1948.3442 111.9820 -206107.9553 17812.6432 0.0000 0.0000 34373.1037 -149003.0400 300.1889 -183376.1437 -148902.5960 300.5211 13.2221 40.2327 557312.2613 -6.7453 -6.9000 LDB: ============= START OF LOAD BALANCING ============== 10552 LDB: ============== END OF LOAD BALANCING =============== 10552 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10552 LDB: ============= START OF LOAD BALANCING ============== 10552.3 LDB: Largest compute 4773 load 0.026882 is 22.8% of average load 0.118019 LDB: Average compute 0.001736 is 1.5% of average load 0.118019 LDB: TIME 10552.3 LOAD: AVG 0.118019 MAX 0.177735 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.789 MB LDB: TIME 10552.3 LOAD: AVG 0.118019 MAX 0.177735 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.789 MB LDB: TIME 10552.3 LOAD: AVG 0.118019 MAX 0.177735 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.789 MB LDB: ============== END OF LOAD BALANCING =============== 10552.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10552.3 PRESSURE: 3640400 -203.795 -3.18077 62.9318 -3.18137 -147.878 213.922 62.9303 213.922 61.3752 GPRESSURE: 3640400 -169.497 13.0418 25.7359 -68.4966 -119.606 198.668 79.8962 259.782 103.845 PRESSAVG: 3640400 -37.2911 -24.7665 38.0124 -24.7665 32.4687 31.0823 38.0124 31.0823 25.3926 GPRESSAVG: 3640400 -38.2277 -25.0488 34.9186 -24.3485 33.8205 31.6517 38.8196 31.8883 25.4805 TIMING: 3640400 CPU: 10549.2, 0.00290599/step Wall: 10549.2, 0.00290599/step, 1.0975 hours remaining, 211.121094 MB of memory in use. ENERGY: 3640400 769.4000 2155.8837 1982.3200 108.0127 -206424.8730 17876.8198 0.0000 0.0000 34482.9776 -149049.4593 301.1484 -183532.4369 -148948.7389 300.1511 -96.7658 -61.7528 556835.0050 6.8568 7.0244 PRESSURE: 3640600 34.681 -50.0513 68.8791 -50.0505 1.41664 79.5039 68.8781 79.5021 -236.568 GPRESSURE: 3640600 63.5134 -1.2865 71.8178 -136.004 34.6277 44.9545 149.588 40.8781 -176.367 PRESSAVG: 3640600 42.3547 -22.2374 34.6858 -22.2375 24.7343 57.8004 34.6857 57.8003 -20.5867 GPRESSAVG: 3640600 43.0806 -20.8559 35.1508 -21.6776 23.0836 57.9872 33.9338 56.1771 -19.4597 TIMING: 3640600 CPU: 10549.7, 0.00286793/step Wall: 10549.7, 0.00286793/step, 1.08296 hours remaining, 211.121094 MB of memory in use. ENERGY: 3640600 738.6167 2114.7459 1939.4678 110.4710 -205997.7096 17643.8153 0.0000 0.0000 34455.0076 -148995.5852 300.9042 -183450.5929 -148900.4653 300.1549 -66.8233 -26.0754 557205.5540 15.5008 15.5682 PRESSURE: 3640800 41.7927 45.2412 -141.176 45.2404 55.0326 154.215 -141.176 154.216 -128.846 GPRESSURE: 3640800 74.7781 41.314 -193.411 85.1766 54.7477 266.487 -92.4596 123.916 -67.3119 PRESSAVG: 3640800 -39.2997 -13.4904 64.8705 -13.4904 70.6679 48.4832 64.8705 48.4834 20.7763 GPRESSAVG: 3640800 -38.4521 -16.0859 66.5282 -12.6365 70.7596 49.2414 64.1892 48.6728 20.2502 TIMING: 3640800 CPU: 10550.3, 0.00286392/step Wall: 10550.3, 0.00286392/step, 1.08129 hours remaining, 211.121094 MB of memory in use. ENERGY: 3640800 755.6532 2068.4590 1968.2591 122.0694 -206270.1454 17912.1213 0.0000 0.0000 34216.7846 -149226.7989 298.8237 -183443.5835 -149128.3683 299.8305 -10.6737 20.7379 557706.0884 17.3815 17.5192 PRESSURE: 3641000 43.6103 136.69 19.3636 136.689 -263.069 -17.7351 19.3626 -17.7364 92.1809 GPRESSURE: 3641000 70.8974 36.4501 8.94297 155.59 -196.203 -15.9616 37.0084 -12.405 90.975 PRESSAVG: 3641000 -38.4769 55.0879 -10.1791 55.0879 2.72297 21.0147 -10.1791 21.0147 34.2328 GPRESSAVG: 3641000 -39.0569 55.9018 -12.035 56.1708 2.06594 21.498 -11.5441 21.7418 35.2149 TIMING: 3641000 CPU: 10550.9, 0.00288233/step Wall: 10550.9, 0.00288233/step, 1.08808 hours remaining, 211.121094 MB of memory in use. ENERGY: 3641000 731.3035 2127.5388 1960.2809 115.2167 -205860.4669 17496.9951 0.0000 0.0000 34228.9256 -149200.2065 298.9297 -183429.1320 -149098.8892 299.8188 -42.4259 -11.4435 556637.2547 -0.5070 -0.5920 PRESSURE: 3641200 -358.178 -1.04276 -115.052 -1.04268 -125.92 -103.885 -115.05 -103.887 45.3789 GPRESSURE: 3641200 -341.119 -7.69298 -81.7477 -4.64766 -140.809 -57.9063 -53.8021 -113.32 140.636 PRESSAVG: 3641200 17.6143 23.8576 65.1889 23.8576 -53.124 10.9028 65.1889 10.9028 65.3222 GPRESSAVG: 3641200 18.5062 23.7992 66.2627 23.03 -53.8229 8.53961 67.1591 10.2794 64.3078 TIMING: 3641200 CPU: 10551.5, 0.00289433/step Wall: 10551.5, 0.00289433/step, 1.09245 hours remaining, 211.121094 MB of memory in use. ENERGY: 3641200 719.7671 2117.3451 1931.6985 107.7146 -205941.7648 17370.8535 0.0000 0.0000 34540.0478 -149154.3383 301.6468 -183694.3861 -149053.6059 300.1379 -146.2400 -113.7638 555937.8651 9.9375 9.6637 PRESSURE: 3641400 48.7719 1.59738 79.7059 1.59712 112.048 85.6107 79.7052 85.6099 -227.061 GPRESSURE: 3641400 115.913 -23.8759 17.6371 32.824 100.797 123.47 69.4474 98.8455 -189.592 PRESSAVG: 3641400 -13.0154 -35.8478 7.18842 -35.8477 -18.155 -16.1913 7.18848 -16.1914 67.3081 GPRESSAVG: 3641400 -12.8767 -33.3737 6.27421 -36.3662 -18.7889 -16.6463 8.14091 -13.8671 68.0664 TIMING: 3641400 CPU: 10552.1, 0.00288577/step Wall: 10552.1, 0.00288577/step, 1.08906 hours remaining, 211.121094 MB of memory in use. ENERGY: 3641400 703.4288 2046.3994 1979.2066 109.5221 -206064.1666 17689.0752 0.0000 0.0000 34343.0587 -149193.4758 299.9265 -183536.5345 -149091.6001 299.1883 -22.0803 9.0392 556543.2114 12.0459 12.1336 PRESSURE: 3641600 -128.032 173.577 186.671 173.575 -66.1467 112.296 186.67 112.296 162.717 GPRESSURE: 3641600 -84.2157 186.931 178.365 222.302 -10.312 18.5146 138.914 140.768 153.434 PRESSAVG: 3641600 -1.26669 45.3437 13.0324 45.3436 5.23632 21.1261 13.0324 21.126 21.642 GPRESSAVG: 3641600 -2.27657 42.5426 12.7698 45.0707 6.31337 22.702 12.7235 19.5462 21.9808 TIMING: 3641600 CPU: 10552.6, 0.00290859/step Wall: 10552.6, 0.00290859/step, 1.09751 hours remaining, 211.121094 MB of memory in use. ENERGY: 3641600 743.4271 2049.4724 1968.3811 112.1970 -206351.8713 17778.2080 0.0000 0.0000 34352.8967 -149347.2890 300.0124 -183700.1857 -149252.8467 298.9649 -10.4871 19.6353 556706.8202 8.5372 8.6725 PRESSURE: 3641800 -41.0628 124.516 291.335 124.516 -118.426 -182.122 291.336 -182.121 -183.628 GPRESSURE: 3641800 -29.7981 103.9 362.364 126.542 -146.504 -155.084 205.135 -200.89 -59.3536 PRESSAVG: 3641800 -54.564 54.9798 -9.99523 54.9798 -9.78715 -44.0588 -9.99515 -44.0588 47.2604 GPRESSAVG: 3641800 -54.2964 56.1096 -8.26771 54.9903 -9.75256 -44.4715 -12.1216 -44.0763 46.7966 TIMING: 3641800 CPU: 10553.2, 0.0028883/step Wall: 10553.2, 0.0028883/step, 1.08969 hours remaining, 211.121094 MB of memory in use. ENERGY: 3641800 786.7060 2096.3079 1955.5119 98.9490 -206481.5680 17864.7633 0.0000 0.0000 34297.7556 -149381.5743 299.5308 -183679.3299 -149289.1177 298.1095 -114.3724 -78.5519 557189.4427 -5.6969 -5.7508 PRESSURE: 3642000 -86.7296 33.8794 16.2468 33.8795 -224.036 126.654 16.2468 126.655 116.497 GPRESSURE: 3642000 -43.2295 -3.62025 -57.101 -0.12676 -138.12 78.3757 78.0936 125.35 100.798 PRESSAVG: 3642000 -77.299 27.0721 56.6298 27.072 24.0834 -0.74752 56.6297 -0.747576 37.806 GPRESSAVG: 3642000 -77.9159 27.1191 55.952 28.8725 24.1234 -0.902837 56.4484 0.531422 38.2103 TIMING: 3642000 CPU: 10553.8, 0.00288355/step Wall: 10553.8, 0.00288355/step, 1.08774 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3642000 701.6964 2100.4459 1953.5754 119.6104 -206175.6712 17667.4548 0.0000 0.0000 34085.7044 -149547.1838 297.6789 -183632.8882 -149447.4423 298.2171 -64.7562 -26.8504 557353.5880 -5.1365 -5.1941 PRESSURE: 3642200 -69.8027 -66.3012 64.5813 -66.301 -242.799 -91.1749 64.5814 -91.1758 99.8191 GPRESSURE: 3642200 -8.36191 -43.2917 4.88013 -53.8457 -171.767 -92.3698 55.8874 -43.0537 62.5564 PRESSAVG: 3642200 -81.3202 32.9744 -24.4601 32.9743 26.9951 -14.3118 -24.4602 -14.3117 35.3869 GPRESSAVG: 3642200 -80.4453 33.0349 -24.0782 31.3648 27.1141 -13.6667 -26.2671 -14.844 35.2992 TIMING: 3642200 CPU: 10554.4, 0.00288683/step Wall: 10554.4, 0.00288683/step, 1.08881 hours remaining, 211.121094 MB of memory in use. ENERGY: 3642200 757.0401 2051.5959 1937.7651 113.5568 -206796.8772 17804.5295 0.0000 0.0000 34244.7517 -149887.6381 299.0679 -184132.3898 -149785.9480 297.6273 -70.9275 -39.1908 556503.6353 -6.3127 -6.0107 PRESSURE: 3642400 127.835 -31.7031 -12.9912 -31.7024 320.041 117.877 -12.9915 117.877 175.69 GPRESSURE: 3642400 188.475 -86.8134 -28.3625 -64.3323 333.217 104.701 -15.7099 25.8594 187.889 PRESSAVG: 3642400 -120.283 23.5673 46.0918 23.5673 93.3608 1.05936 46.0918 1.0595 -0.0509403 GPRESSAVG: 3642400 -119.548 23.5337 46.6852 24.9509 93.2064 0.584632 48.6084 0.192643 -0.862818 TIMING: 3642400 CPU: 10554.9, 0.00287886/step Wall: 10554.9, 0.00287886/step, 1.08565 hours remaining, 211.121094 MB of memory in use. ENERGY: 3642400 740.9706 2097.5005 1972.5084 121.5016 -206883.6594 18137.1941 0.0000 0.0000 33922.5905 -149891.3936 296.2544 -183813.9842 -149794.3148 296.9813 207.8551 236.5271 556691.6104 -8.9911 -9.0683 PRESSURE: 3642600 28.2147 -21.8155 -67.019 -21.8159 -84.713 -32.4053 -67.019 -32.405 -17.6775 GPRESSURE: 3642600 62.8579 -63.4601 -162.441 65.6719 -62.1394 -22.0712 -29.1428 45.1867 28.9502 PRESSAVG: 3642600 -0.282304 25.0062 -12.3602 25.0062 19.0904 -7.66788 -12.3602 -7.66782 22.5884 GPRESSAVG: 3642600 -2.38621 25.0436 -14.7766 25.6811 20.238 -8.54014 -10.9631 -5.61369 23.8269 TIMING: 3642600 CPU: 10555.5, 0.00288874/step Wall: 10555.5, 0.00288874/step, 1.08922 hours remaining, 211.121094 MB of memory in use. ENERGY: 3642600 751.6284 2063.3104 1950.2064 103.5599 -206715.6333 17967.0157 0.0000 0.0000 34068.4671 -149811.4454 297.5284 -183879.9125 -149716.9453 297.1970 -24.7253 9.8896 557273.3427 13.7988 13.8929 PRESSURE: 3642800 40.3019 121.599 -61.4051 121.598 -270.328 18.1297 -61.4048 18.1293 234.78 GPRESSURE: 3642800 56.0315 49.1571 -79.4452 146.341 -231.916 53.109 -73.3719 2.97144 278.049 PRESSAVG: 3642800 -4.43451 36.6707 -48.8353 36.6707 -66.2058 -27.9112 -48.8353 -27.9113 37.4991 GPRESSAVG: 3642800 -3.40895 36.3899 -45.0752 34.4779 -66.1406 -26.44 -51.5286 -27.4488 36.4133 TIMING: 3642800 CPU: 10556.1, 0.00289346/step Wall: 10556.1, 0.00289346/step, 1.09084 hours remaining, 211.121094 MB of memory in use. ENERGY: 3642800 763.6296 2032.3516 1912.1964 107.6214 -206466.7731 17716.9794 0.0000 0.0000 34068.3653 -149865.6293 297.5275 -183933.9947 -149768.8474 297.5340 1.5847 34.0549 555712.8027 -11.0471 -11.0454 PRESSURE: 3643000 247.21 118.028 26.8538 118.027 16.0512 -22.2869 26.8545 -22.2871 -254.046 GPRESSURE: 3643000 251.01 227.229 -90.4203 147.03 75.1851 -8.32197 6.704 -39.4386 -216.906 PRESSAVG: 3643000 10.3635 -8.88313 -24.9681 -8.8831 -13.3559 -12.757 -24.9681 -12.757 3.33669 GPRESSAVG: 3643000 10.5321 -6.62213 -27.2391 -7.60441 -12.9034 -14.5545 -23.7508 -13.6354 2.7567 TIMING: 3643000 CPU: 10556.7, 0.00288656/step Wall: 10556.7, 0.00288656/step, 1.08807 hours remaining, 211.121094 MB of memory in use. ENERGY: 3643000 775.7688 2073.8689 1950.6870 107.4518 -206984.8285 18011.9956 0.0000 0.0000 34190.1930 -149874.8636 298.5915 -184065.0566 -149783.7097 297.1738 3.0719 36.4296 556665.6310 0.1148 0.1285 PRESSURE: 3643200 -150.614 41.3855 -22.8845 41.3838 14.4457 66.9446 -22.8838 66.943 -88.46 GPRESSURE: 3643200 -68.0149 63.9985 -19.9464 35.9108 8.09344 109.948 -59.7734 113.614 -66.0972 PRESSAVG: 3643200 -10.2243 57.5494 -31.5886 57.5494 -4.06656 29.4989 -31.5886 29.4988 -1.40445 GPRESSAVG: 3643200 -10.5313 55.3873 -29.7467 56.2721 -5.74899 29.189 -31.5628 30.9472 0.35467 TIMING: 3643200 CPU: 10557.2, 0.00286782/step Wall: 10557.2, 0.00286782/step, 1.08085 hours remaining, 211.121094 MB of memory in use. ENERGY: 3643200 730.9217 2040.2536 1927.5975 113.2233 -206657.2424 17710.9609 0.0000 0.0000 34201.1050 -149933.1803 298.6868 -184134.2853 -149824.6014 296.9111 -74.8762 -42.0062 557031.7446 -5.2318 -5.3085 PRESSURE: 3643400 -164.253 -164.054 -31.8009 -164.052 24.9806 -24.0908 -31.8017 -24.091 85.0529 GPRESSURE: 3643400 -189.723 -165.893 -89.9457 -23.7512 114.693 -69.799 -17.8054 -25.0654 120.243 PRESSAVG: 3643400 1.52913 21.6021 4.19325 21.6022 -71.4368 -34.637 4.19332 -34.637 73.4058 GPRESSAVG: 3643400 2.88029 20.1135 3.1514 23.1946 -71.5575 -31.4599 4.49509 -37.74 72.6168 TIMING: 3643400 CPU: 10557.8, 0.00286682/step Wall: 10557.8, 0.00286682/step, 1.08031 hours remaining, 211.121094 MB of memory in use. ENERGY: 3643400 741.7124 2042.4455 1922.9362 118.1290 -206687.2457 17914.9664 0.0000 0.0000 33962.4589 -149984.5974 296.6026 -183947.0563 -149897.5509 296.8353 -18.0730 15.0707 557979.6833 1.1660 1.3132 PRESSURE: 3643600 -130.389 13.3425 -144.804 13.3424 -138.323 -187.614 -144.804 -187.613 -54.6506 GPRESSURE: 3643600 -131.287 15.7319 -142.291 -66.5868 -83.2568 -214.491 -164.384 -151.008 -9.9688 PRESSAVG: 3643600 -2.97678 -36.9761 -36.2718 -36.9762 -42.7342 -62.3057 -36.2718 -62.3058 18.6717 GPRESSAVG: 3643600 -3.80402 -35.5218 -36.6872 -37.0191 -41.9855 -63.8999 -35.5102 -62.5465 19.2675 TIMING: 3643600 CPU: 10558.4, 0.00287532/step Wall: 10558.4, 0.00287532/step, 1.08336 hours remaining, 211.121094 MB of memory in use. ENERGY: 3643600 760.8725 2023.0542 1962.8297 112.4312 -206727.6418 17702.2977 0.0000 0.0000 34031.4747 -150134.6818 297.2053 -184166.1565 -150034.6747 296.7584 -107.7875 -74.8374 559058.8628 -9.0131 -8.8407 PRESSURE: 3643800 44.9641 -47.6554 23.8471 -47.6569 322.532 -49.4501 23.8478 -49.4492 -97.1456 GPRESSURE: 3643800 134.057 -104.404 9.46535 -70.1653 297.489 -94.3354 -17.1144 28.9664 -64.0417 PRESSAVG: 3643800 6.84288 19.6363 4.97484 19.6364 11.0376 -38.2987 4.97487 -38.2987 30.2618 GPRESSAVG: 3643800 7.35635 18.2192 5.88638 17.3893 10.7651 -40.2341 3.46891 -37.5392 29.9718 TIMING: 3643800 CPU: 10559, 0.00286905/step Wall: 10559, 0.00286905/step, 1.08084 hours remaining, 211.121094 MB of memory in use. ENERGY: 3643800 746.5018 2093.7611 1949.0231 110.9492 -206871.0212 18077.1270 0.0000 0.0000 33990.3878 -149903.2714 296.8465 -183893.6591 -149816.8965 296.4999 90.1169 122.5014 557399.1907 16.0474 16.0311 PRESSURE: 3644000 75.5366 142.879 109.541 142.879 64.4208 -40.1583 109.54 -40.1574 153.468 GPRESSURE: 3644000 82.1466 150.998 35.4221 133.539 82.9517 4.66016 147.531 -57.2525 225.651 PRESSAVG: 3644000 -9.72302 54.2034 5.68655 54.2033 -10.9415 29.4444 5.68667 29.4443 -4.33963 GPRESSAVG: 3644000 -9.99664 55.0282 5.60533 55.2005 -11.8417 32.2623 6.41251 27.722 -3.71239 TIMING: 3644000 CPU: 10559.5, 0.00288855/step Wall: 10559.5, 0.00288855/step, 1.08802 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3644000 746.9021 2069.9728 1939.6279 115.9703 -206662.6192 18062.1084 0.0000 0.0000 33948.7327 -149779.3051 296.4827 -183728.0377 -149679.2856 297.4206 97.8083 130.2499 557018.9430 -8.3347 -8.5169 PRESSURE: 3644200 -32.2583 80.3865 7.84612 80.3864 30.8412 132.625 7.84693 132.625 59.6148 GPRESSURE: 3644200 -26.1252 63.7329 47.4161 116.361 69.1718 49.0552 -41.5717 208.062 122.11 PRESSAVG: 3644200 5.11783 -22.5389 -9.28143 -22.5389 -62.365 36.0783 -9.28152 36.0784 58.5067 GPRESSAVG: 3644200 4.48411 -19.9123 -9.6409 -21.5284 -61.9591 33.5004 -9.63294 38.6429 58.4251 TIMING: 3644200 CPU: 10560.1, 0.00290363/step Wall: 10560.1, 0.00290363/step, 1.09354 hours remaining, 211.121094 MB of memory in use. ENERGY: 3644200 753.9376 2096.8916 1972.9607 123.6129 -206578.0091 18013.1867 0.0000 0.0000 33865.5605 -149751.8592 295.7564 -183617.4197 -149659.8020 297.9937 19.3993 55.0521 557185.1614 0.4198 0.3167 LDB: ============= START OF LOAD BALANCING ============== 10563.5 LDB: ============== END OF LOAD BALANCING =============== 10563.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10563.5 LDB: ============= START OF LOAD BALANCING ============== 10563.8 LDB: Largest compute 4792 load 0.025353 is 21.5% of average load 0.117990 LDB: Average compute 0.001730 is 1.5% of average load 0.117990 LDB: TIME 10563.8 LOAD: AVG 0.11799 MAX 0.179727 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.688 MB LDB: TIME 10563.8 LOAD: AVG 0.11799 MAX 0.179727 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.758 MB LDB: TIME 10563.8 LOAD: AVG 0.11799 MAX 0.179727 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.758 MB LDB: ============== END OF LOAD BALANCING =============== 10563.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10563.8 PRESSURE: 3644400 36.9397 -40.2375 -41.0298 -40.2362 -120.065 46.7912 -41.0294 46.7917 -226.337 GPRESSURE: 3644400 69.5148 -42.7546 -0.875284 -146.481 -53.1439 57.391 -118.339 8.99756 -226.359 PRESSAVG: 3644400 46.4485 5.17383 39.2157 5.17389 -2.04553 -20.4749 39.2158 -20.4748 -33.9436 GPRESSAVG: 3644400 46.5038 2.5891 39.6801 4.17582 -2.50421 -20.8071 39.4494 -20.566 -33.5438 TIMING: 3644400 CPU: 10560.7, 0.00294496/step Wall: 10560.7, 0.00294496/step, 1.10894 hours remaining, 210.414062 MB of memory in use. ENERGY: 3644400 782.0155 2060.1391 1941.0034 104.8529 -206505.6487 17995.0703 0.0000 0.0000 33945.7084 -149676.8592 296.4563 -183622.5676 -149588.0495 297.7354 -103.1542 -69.9961 557934.7930 3.4864 3.4853 PRESSURE: 3644600 61.1208 -2.99093 15.7717 -2.99236 -303.685 -33.9993 15.7734 -34.001 -234.162 GPRESSURE: 3644600 52.5432 -51.4377 80.889 20.3357 -285.893 -132.924 25.7541 -18.1245 -134.16 PRESSAVG: 3644600 25.1088 -18.5978 1.68287 -18.5978 -9.37676 -43.9356 1.68295 -43.9356 -15.5325 GPRESSAVG: 3644600 24.7044 -16.8873 -1.83219 -18.3103 -9.59727 -42.6182 2.81012 -45.652 -15.0878 TIMING: 3644600 CPU: 10561.3, 0.00289068/step Wall: 10561.3, 0.00289068/step, 1.08834 hours remaining, 210.414062 MB of memory in use. ENERGY: 3644600 727.5369 2086.4117 1928.9330 110.0280 -206045.9822 17456.4969 0.0000 0.0000 34240.9537 -149495.6221 299.0348 -183736.5758 -149396.8975 297.5273 -158.9086 -122.5031 556366.0596 0.0665 0.0064 PRESSURE: 3644800 -440.754 31.647 -98.7836 31.6477 45.9512 -26.0825 -98.7848 -26.0833 -158.781 GPRESSURE: 3644800 -378.321 101.078 15.4348 -22.1499 84.1199 -101.854 -167.631 -21.7558 -140.116 PRESSAVG: 3644800 -24.2699 3.63149 18.6945 3.6314 44.1919 -29.5758 18.6945 -29.5757 -44.4913 GPRESSAVG: 3644800 -22.9322 4.63936 23.9442 2.43656 44.5462 -29.0552 16.0445 -28.3308 -46.2505 TIMING: 3644800 CPU: 10561.9, 0.00290883/step Wall: 10561.9, 0.00290883/step, 1.09501 hours remaining, 210.414062 MB of memory in use. ENERGY: 3644800 736.0300 2059.2227 1933.0249 114.5596 -206022.1787 17513.0902 0.0000 0.0000 34137.8950 -149528.3563 298.1347 -183666.2514 -149426.6752 298.5715 -184.5282 -144.7722 557153.8023 -8.1898 -8.2122 PRESSURE: 3645000 15.1558 -37.0047 140.6 -37.0027 117.247 -14.6651 140.601 -14.6648 139.507 GPRESSURE: 3645000 9.45356 -37.0771 152.781 -9.20867 155.894 36.7863 120.572 -108.297 200.985 PRESSAVG: 3645000 -48.7621 -20.6743 -9.20027 -20.6742 -20.9771 25.486 -9.20031 25.486 68.9232 GPRESSAVG: 3645000 -50.4235 -22.9763 -10.3479 -18.0773 -20.6732 26.7024 -8.8273 24.242 70.3831 TIMING: 3645000 CPU: 10562.5, 0.00290941/step Wall: 10562.5, 0.00290941/step, 1.09507 hours remaining, 210.414062 MB of memory in use. ENERGY: 3645000 770.2222 2062.3467 1941.7857 114.9624 -206404.7354 17866.4667 0.0000 0.0000 34299.0503 -149349.9014 299.5421 -183648.9516 -149248.4512 298.5587 90.6367 122.1108 556359.2324 -0.2720 -0.2379 PRESSURE: 3645200 -88.8942 42.7594 -117.057 42.7602 -212.11 -75.4352 -117.057 -75.4346 -78.7182 GPRESSURE: 3645200 -8.71611 26.4793 -142.992 136.456 -183.818 -16.9951 -34.1972 -133.12 -83.7592 PRESSAVG: 3645200 -71.0124 33.3604 6.29559 33.3605 50.4548 -33.4881 6.29553 -33.4882 7.08044 GPRESSAVG: 3645200 -71.384 35.0087 5.86798 34.3108 49.5307 -35.3335 6.89706 -33.2939 7.96257 TIMING: 3645200 CPU: 10563, 0.00289957/step Wall: 10563, 0.00289957/step, 1.0912 hours remaining, 210.671875 MB of memory in use. ENERGY: 3645200 758.7881 2090.4887 1952.4041 116.0761 -206480.6257 17869.2166 0.0000 0.0000 34268.8917 -149424.7604 299.2788 -183693.6521 -149341.0036 298.9070 -126.5742 -92.0979 557864.4631 -4.4924 -4.6303 PRESSURE: 3645400 -112.552 69.5661 39.9904 69.566 129.085 35.9351 39.9901 35.9352 144.162 GPRESSURE: 3645400 -35.9327 -20.1851 28.6524 152.619 165.014 -8.88909 49.6122 139.244 126.211 PRESSAVG: 3645400 -38.1877 38.9104 12.3802 38.9103 69.8966 -11.8027 12.3802 -11.8026 -9.40071 GPRESSAVG: 3645400 -36.9645 37.5428 12.5957 37.9253 69.2544 -11.3892 12.5217 -11.655 -10.1263 TIMING: 3645400 CPU: 10563.6, 0.0029251/step Wall: 10563.6, 0.0029251/step, 1.10065 hours remaining, 210.671875 MB of memory in use. ENERGY: 3645400 734.8430 2122.9605 1924.3256 111.3324 -206189.0554 17830.3507 0.0000 0.0000 34098.2281 -149367.0152 297.7883 -183465.2432 -149266.6058 298.5788 53.5649 85.0975 557726.2257 7.4361 7.3879 PRESSURE: 3645600 -88.5939 -17.7274 -31.2191 -17.7273 124.543 -121.429 -31.22 -121.428 -96.5536 GPRESSURE: 3645600 -64.7897 -82.5072 -70.2871 -40.4375 118.497 -197.861 -6.24567 -23.1279 -25.5204 PRESSAVG: 3645600 -15.2467 37.1504 27.2236 37.1505 43.9218 8.08055 27.2236 8.08047 -22.2889 GPRESSAVG: 3645600 -14.5667 37.6919 28.5726 36.4539 45.5821 7.77677 27.4955 9.91719 -24.323 TIMING: 3645600 CPU: 10564.2, 0.00288911/step Wall: 10564.2, 0.00288911/step, 1.08695 hours remaining, 210.671875 MB of memory in use. ENERGY: 3645600 731.0006 2077.1936 1950.1369 105.5550 -206129.9101 17813.0553 0.0000 0.0000 34221.1723 -149231.7964 298.8620 -183452.9687 -149128.3755 299.0386 -20.2014 9.3958 558005.5254 2.1287 2.2308 PRESSURE: 3645800 19.8836 127.279 -0.316487 127.278 127.226 -71.9528 -0.316863 -71.954 23.7174 GPRESSURE: 3645800 54.824 107.259 -35.6719 75.1069 187.386 -109.768 -5.59657 -88.8823 17.2296 PRESSAVG: 3645800 -28.3152 10.5512 42.9376 10.5512 11.8031 -60.1425 42.9376 -60.1426 -12.442 GPRESSAVG: 3645800 -28.2653 10.5247 41.6333 11.0807 10.7994 -57.5141 42.9119 -62.1022 -11.3302 TIMING: 3645800 CPU: 10564.8, 0.00287533/step Wall: 10564.8, 0.00287533/step, 1.0816 hours remaining, 210.671875 MB of memory in use. ENERGY: 3645800 752.4054 2070.9311 1933.7002 105.1135 -206016.6857 17912.8455 0.0000 0.0000 34105.3460 -149136.3439 297.8505 -183241.6900 -149044.1025 298.7227 56.9424 86.4799 559108.0433 -9.6514 -9.5987 PRESSURE: 3646000 -271.043 -97.7214 9.54895 -97.7227 7.49937 -55.072 9.54901 -55.073 -273.463 GPRESSURE: 3646000 -222.832 -77.2289 -16.066 -160.426 -9.08243 -4.6285 94.2098 -30.4444 -189.302 PRESSAVG: 3646000 -17.9572 -18.7082 16.4139 -18.7081 71.9951 -33.8135 16.4139 -33.8135 -24.3212 GPRESSAVG: 3646000 -18.0029 -18.9202 16.011 -20.3371 70.8715 -35.2897 16.3846 -33.7476 -23.4067 TIMING: 3646000 CPU: 10565.4, 0.00289761/step Wall: 10565.4, 0.00289761/step, 1.08982 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3646000 766.1288 2091.7568 1939.7595 125.6389 -206089.0057 17695.3110 0.0000 0.0000 34143.3601 -149327.0507 298.1825 -183470.4108 -149228.5037 299.1551 -179.0023 -140.4052 557838.4473 9.9056 9.8206 PRESSURE: 3646200 -10.733 -20.9128 -179.643 -20.9132 -98.5741 -21.8383 -179.643 -21.8388 123.238 GPRESSURE: 3646200 6.28068 49.0732 -132.157 -65.3234 -72.651 -95.5428 -217.899 52.3892 170.055 PRESSAVG: 3646200 -12.5389 23.8802 -33.87 23.8801 4.34343 -31.4574 -33.87 -31.4574 -1.98493 GPRESSAVG: 3646200 -13.0916 24.3416 -32.2019 23.6165 5.07432 -31.6502 -33.3692 -29.4663 -2.49419 TIMING: 3646200 CPU: 10565.9, 0.00288555/step Wall: 10565.9, 0.00288555/step, 1.08513 hours remaining, 210.671875 MB of memory in use. ENERGY: 3646200 720.3614 2045.2022 1958.5041 125.3578 -205962.0152 17664.6435 0.0000 0.0000 34216.2218 -149231.7245 298.8188 -183447.9463 -149133.5294 298.3223 4.6437 34.5615 557818.8428 -3.3935 -3.5038 PRESSURE: 3646400 -91.5996 79.0214 -71.673 79.0193 8.5516 169.007 -71.6723 169.009 262.183 GPRESSURE: 3646400 -54.7049 79.3874 -39.8327 107.498 51.4545 89.3564 -106.374 225.306 273.151 PRESSAVG: 3646400 -40.1609 61.0654 -53.1651 61.0655 -37.5675 -14.1613 -53.1651 -14.1614 52.6082 GPRESSAVG: 3646400 -41.3133 60.3444 -54.5409 62.2278 -36.9253 -14.4264 -54.2999 -14.619 52.8258 TIMING: 3646400 CPU: 10566.5, 0.00286763/step Wall: 10566.5, 0.00286763/step, 1.07823 hours remaining, 210.671875 MB of memory in use. ENERGY: 3646400 727.2352 2058.4373 1973.0943 120.7141 -206310.1990 17848.7764 0.0000 0.0000 34373.9892 -149207.9526 300.1966 -183581.9417 -149108.3258 298.7710 59.7117 89.9668 555692.9112 -8.3734 -8.4709 PRESSURE: 3646600 233.242 -36.8078 -122.127 -36.807 137.665 -155.543 -122.127 -155.545 362.203 GPRESSURE: 3646600 243.423 -34.3993 -126.564 -74.7768 140.149 -214.924 -158.414 -124.156 432.815 PRESSAVG: 3646600 6.72173 23.8877 -26.1388 23.8878 -31.6649 -24.9595 -26.1387 -24.9595 44.8338 GPRESSAVG: 3646600 6.62362 26.2134 -25.1377 22.503 -32.7457 -23.5613 -26.3372 -24.4438 45.6015 TIMING: 3646600 CPU: 10567.1, 0.00289042/step Wall: 10567.1, 0.00289042/step, 1.08664 hours remaining, 210.671875 MB of memory in use. ENERGY: 3646600 697.4044 2089.9497 1969.9771 105.8420 -206505.0074 18132.6558 0.0000 0.0000 34328.7068 -149180.4716 299.8011 -183509.1785 -149076.9424 299.7652 244.3700 272.1289 557367.5477 6.6302 6.4931 PRESSURE: 3646800 -187.141 -172.085 -2.63266 -172.083 -185.26 35.1871 -2.63342 35.186 -229.353 GPRESSURE: 3646800 -149.953 -273.395 122.875 -154.585 -125.858 8.41749 -106.972 -5.42545 -228.854 PRESSAVG: 3646800 -27.3009 -90.7724 34.7444 -90.7725 -28.6981 63.8289 34.7444 63.8288 66.6914 GPRESSAVG: 3646800 -27.0012 -92.9311 34.6674 -87.8783 -28.8432 60.5116 35.8761 65.3558 66.5853 TIMING: 3646800 CPU: 10567.7, 0.00289656/step Wall: 10567.7, 0.00289656/step, 1.08879 hours remaining, 210.671875 MB of memory in use. ENERGY: 3646800 732.1583 2122.9289 1936.2040 109.1690 -205555.0766 17566.6696 0.0000 0.0000 34174.2016 -148913.7452 298.4518 -183087.9468 -148818.5053 299.3836 -200.5846 -168.2216 558763.9174 3.5641 3.5803 PRESSURE: 3647000 -48.9216 7.12381 81.8673 7.12541 112.755 -294.835 81.8677 -294.836 1.99191 GPRESSURE: 3647000 -22.4169 14.166 26.7081 56.2787 132.522 -348.959 120.783 -321.842 53.8798 PRESSAVG: 3647000 -15.4617 -48.6015 18.9719 -48.6015 13.6055 27.1893 18.972 27.1893 37.3816 GPRESSAVG: 3647000 -15.2993 -46.2361 16.6182 -50.3331 14.3873 30.2452 18.9276 25.0187 36.5783 TIMING: 3647000 CPU: 10568.2, 0.0028865/step Wall: 10568.2, 0.0028865/step, 1.08484 hours remaining, 210.671875 MB of memory in use. ENERGY: 3647000 747.9323 2077.3976 1920.6909 107.4023 -206118.4069 17824.9340 0.0000 0.0000 34530.7800 -148909.2698 301.5659 -183440.0498 -148804.9234 300.1787 21.9418 54.6615 557603.1991 11.8418 11.8888 PRESSURE: 3647200 -265.2 38.5676 -47.1916 38.5682 -169.731 -61.6915 -47.191 -61.6908 -111.679 GPRESSURE: 3647200 -246.686 46.9387 -133.003 53.286 -134.515 -77.5743 -4.08241 -80.4649 -72.858 PRESSAVG: 3647200 -5.88934 10.5114 90.832 10.5113 -17.3616 -26.1118 90.832 -26.1119 6.92372 GPRESSAVG: 3647200 -5.1212 8.49145 92.6917 9.55289 -18.2588 -25.9307 91.8819 -27.3205 7.45905 TIMING: 3647200 CPU: 10568.8, 0.00290072/step Wall: 10568.8, 0.00290073/step, 1.09003 hours remaining, 210.671875 MB of memory in use. ENERGY: 3647200 775.8783 2046.7851 1968.6146 113.3667 -205943.0769 17630.1933 0.0000 0.0000 34495.5401 -148912.6987 301.2581 -183408.2388 -148812.0855 300.4430 -182.2033 -151.3531 558614.6410 -5.4424 -5.3070 PRESSURE: 3647400 -116.319 38.1217 -77.8058 38.123 -164.907 -103.685 -77.8051 -103.686 -140.865 GPRESSURE: 3647400 -40.9185 13.9681 -94.2822 82.266 -141.013 -122.145 -73.0628 -106.627 -139.162 PRESSAVG: 3647400 -29.9895 -16.9414 36.6562 -16.9414 33.1371 -47.6801 36.6561 -47.6803 28.7729 GPRESSAVG: 3647400 -30.6559 -17.094 37.0278 -15.3921 34.6709 -47.1843 35.7844 -47.0624 28.6235 TIMING: 3647400 CPU: 10569.4, 0.00290783/step Wall: 10569.4, 0.00290783/step, 1.09254 hours remaining, 210.671875 MB of memory in use. ENERGY: 3647400 730.6542 2037.6836 1986.8345 116.7018 -205826.5984 17598.0723 0.0000 0.0000 34420.5052 -148936.1469 300.6028 -183356.6522 -148835.8058 300.3004 -140.6970 -107.0310 558941.5834 10.6401 10.8795 PRESSURE: 3647600 -169.377 81.1526 -35.3543 81.1513 16.3525 18.5325 -35.3527 18.5319 -206.46 GPRESSURE: 3647600 -149.732 101.92 -14.6563 128.501 27.9173 31.9776 -37.5986 114.591 -149.806 PRESSAVG: 3647600 22.8227 -52.0672 3.24137 -52.0672 33.3116 -65.8512 3.2414 -65.8512 -28.9862 GPRESSAVG: 3647600 23.0807 -50.3637 2.62915 -53.9724 31.9503 -68.0924 5.85304 -65.1357 -28.6577 TIMING: 3647600 CPU: 10570, 0.00289056/step Wall: 10570, 0.00289056/step, 1.08589 hours remaining, 210.671875 MB of memory in use. ENERGY: 3647600 744.9892 2073.2346 1948.7507 113.5330 -206001.3136 17695.4163 0.0000 0.0000 34330.9750 -149094.4148 299.8209 -183425.3899 -148990.2923 299.8158 -119.8283 -90.5401 557846.7435 9.0494 8.7911 PRESSURE: 3647800 -99.0785 27.4642 43.1013 27.4633 125.974 -60.2707 43.1008 -60.271 55.8597 GPRESSURE: 3647800 -70.3305 47.0981 98.9825 71.1496 177.883 -53.9431 -42.3908 -95.5653 66.6203 PRESSAVG: 3647800 -17.9471 -3.38153 -2.72935 -3.3815 -24.0658 9.56557 -2.72938 9.56549 64.1105 GPRESSAVG: 3647800 -18.7827 -4.2705 -0.283306 -1.33235 -23.4327 11.9239 -6.42904 7.15717 64.0692 TIMING: 3647800 CPU: 10570.6, 0.00289889/step Wall: 10570.6, 0.00289889/step, 1.08886 hours remaining, 210.671875 MB of memory in use. ENERGY: 3647800 703.6528 2027.5297 1933.8635 123.2633 -205873.2771 17682.5938 0.0000 0.0000 34127.7494 -149274.6246 298.0461 -183402.3740 -149184.0310 299.0788 27.5851 58.0576 556080.2102 7.3659 7.2846 PRESSURE: 3648000 228.5 25.8111 -103.112 25.8115 -58.5367 103.084 -103.113 103.085 1.29068 GPRESSURE: 3648000 272.562 73.4752 -100.706 1.78991 -24.3103 108.901 -134.006 42.719 28.7 PRESSAVG: 3648000 101.4 10.3284 81.5111 10.3283 -33.2179 -39.1608 81.511 -39.1607 -56.1859 GPRESSAVG: 3648000 103.656 10.6791 79.0466 7.64851 -34.3927 -40.0575 82.8286 -37.7435 -57.5638 TIMING: 3648000 CPU: 10571.1, 0.00288624/step Wall: 10571.1, 0.00288624/step, 1.08394 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3648000 778.7468 2045.5735 1939.0969 118.1352 -206281.5441 17927.2365 0.0000 0.0000 34156.1664 -149316.5888 298.2943 -183472.7552 -149215.7643 298.7892 57.0846 92.3172 557235.0582 3.9985 3.9000 PRESSURE: 3648200 -207 2.88909 -27.0815 2.88968 -232.123 78.2343 -27.0819 78.2333 47.5301 GPRESSURE: 3648200 -185.344 -57.5171 -74.0824 28.0561 -227.239 -69.0428 -23.8537 171.51 124.477 PRESSAVG: 3648200 38.1934 40.4269 48.7287 40.4269 -27.0539 24.9177 48.7287 24.9176 3.81573 GPRESSAVG: 3648200 37.5291 40.1539 48.3291 42.0538 -27.5103 23.4162 50.605 26.8877 4.57132 TIMING: 3648200 CPU: 10571.7, 0.0028976/step Wall: 10571.7, 0.0028976/step, 1.08805 hours remaining, 210.671875 MB of memory in use. ENERGY: 3648200 739.9937 2071.6657 1921.6684 117.4494 -205628.6644 17500.9509 0.0000 0.0000 33953.0480 -149323.8883 296.5204 -183276.9362 -149236.4091 298.9813 -130.5307 -96.0352 559671.4741 4.9851 4.8634 LDB: ============= START OF LOAD BALANCING ============== 10575.1 LDB: ============== END OF LOAD BALANCING =============== 10575.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10575.1 LDB: ============= START OF LOAD BALANCING ============== 10575.4 LDB: Largest compute 4773 load 0.027727 is 23.5% of average load 0.117922 LDB: Average compute 0.001727 is 1.5% of average load 0.117922 LDB: TIME 10575.4 LOAD: AVG 0.117922 MAX 0.181855 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.281 MB LDB: TIME 10575.4 LOAD: AVG 0.117922 MAX 0.181855 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.281 MB LDB: TIME 10575.4 LOAD: AVG 0.117922 MAX 0.181855 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.281 MB LDB: ============== END OF LOAD BALANCING =============== 10575.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10575.4 PRESSURE: 3648400 3.60556 69.8981 -4.31033 69.8985 -24.4182 -36.8731 -4.30959 -36.8735 1.90031 GPRESSURE: 3648400 60.2198 50.5398 44.2787 -14.9162 -15.0551 -83.0826 25.9719 -25.998 25.6672 PRESSAVG: 3648400 26.5224 -1.71231 -5.0259 -1.71229 -65.0584 15.1674 -5.02579 15.1673 32.0548 GPRESSAVG: 3648400 26.5187 -2.9682 -4.99741 -1.34614 -65.1426 15.1706 -5.95134 14.0073 31.8318 TIMING: 3648400 CPU: 10572.3, 0.00295507/step Wall: 10572.3, 0.00295507/step, 1.10947 hours remaining, 211.117188 MB of memory in use. ENERGY: 3648400 700.8116 1995.8669 1937.9651 116.2223 -206244.4620 17959.3522 0.0000 0.0000 34354.5894 -149179.6545 300.0272 -183534.2440 -149088.7829 298.5128 -6.3041 23.6106 559162.7375 -2.1604 -2.2640 PRESSURE: 3648600 59.5891 77.978 265.939 77.9773 235.614 19.9732 265.939 19.972 -94.471 GPRESSURE: 3648600 127.915 0.294564 306.675 147.395 213.209 -101.024 170.367 7.19229 -33.8719 PRESSAVG: 3648600 -4.62802 4.65189 -24.8667 4.65193 0.919656 -18.2207 -24.8667 -18.2207 -19.7903 GPRESSAVG: 3648600 -5.23156 5.92875 -24.6759 2.53175 0.742704 -17.2014 -25.3294 -18.3588 -18.7425 TIMING: 3648600 CPU: 10572.9, 0.00291231/step Wall: 10572.9, 0.00291231/step, 1.09325 hours remaining, 211.117188 MB of memory in use. ENERGY: 3648600 735.6092 2006.0341 1966.5629 113.3515 -206413.3776 18054.9550 0.0000 0.0000 34385.7470 -149151.1179 300.2993 -183536.8649 -149064.8402 299.1316 66.9107 102.4174 558232.5135 -7.8329 -7.7438 PRESSURE: 3648800 -28.5759 73.6531 -3.39327 73.6539 -250.401 59.8828 -3.39303 59.8833 48.2051 GPRESSURE: 3648800 52.793 132.655 -26.9204 7.27959 -152.409 68.2935 30.8239 40.9555 -28.0209 PRESSAVG: 3648800 11.9805 -28.2452 19.8319 -28.2451 54.8834 -24.9909 19.8318 -24.9909 -42.69 GPRESSAVG: 3648800 11.9476 -27.8291 20.1028 -28.3539 55.7556 -25.6587 19.3966 -25.4597 -43.7114 TIMING: 3648800 CPU: 10573.5, 0.00290188/step Wall: 10573.5, 0.00290188/step, 1.08917 hours remaining, 211.117188 MB of memory in use. ENERGY: 3648800 699.2684 2026.0931 1943.1528 89.8560 -205638.0415 17412.2524 0.0000 0.0000 34305.6326 -149161.7861 299.5996 -183467.4188 -149057.2784 299.1863 -76.9239 -42.5458 557573.5584 8.0580 7.9973 PRESSURE: 3649000 216.882 -84.9252 29.5575 -84.9248 -20.8227 89.7826 29.5578 89.7804 -159.089 GPRESSURE: 3649000 216.99 -67.0792 -50.613 -29.4472 28.8869 126.093 91.9519 -20.8557 -112.929 PRESSAVG: 3649000 19.9868 -29.1992 3.57171 -29.1992 14.9753 -33.6454 3.57168 -33.6453 21.3179 GPRESSAVG: 3649000 19.3621 -30.2545 4.02112 -28.4128 15.5103 -33.1005 3.49739 -33.1952 21.5772 TIMING: 3649000 CPU: 10574, 0.00289466/step Wall: 10574, 0.00289466/step, 1.0863 hours remaining, 211.117188 MB of memory in use. ENERGY: 3649000 745.1053 2050.6124 1921.5029 116.6968 -206185.7670 17816.0191 0.0000 0.0000 34411.7633 -149124.0672 300.5265 -183535.8305 -149022.6822 299.3534 12.3235 44.3160 557715.5323 18.7600 18.8165 PRESSURE: 3649200 -23.255 155.147 177.919 155.148 302.653 -119.253 177.919 -119.253 -229.305 GPRESSURE: 3649200 39.6931 94.1541 34.2444 46.6326 285.588 -85.054 269.559 -86.7909 -172.84 PRESSAVG: 3649200 0.349817 38.3661 89.3517 38.3661 26.9176 -62.7136 89.3516 -62.7137 -37.4445 GPRESSAVG: 3649200 0.268034 35.7491 88.1599 38.7751 25.8728 -62.5276 91.7691 -62.174 -36.3115 TIMING: 3649200 CPU: 10574.6, 0.00289233/step Wall: 10574.6, 0.00289233/step, 1.08527 hours remaining, 211.117188 MB of memory in use. ENERGY: 3649200 725.1399 2030.4639 1939.6059 104.2951 -206129.1005 17756.5711 0.0000 0.0000 34287.1271 -149285.8975 299.4380 -183573.0246 -149179.8707 299.2916 16.6976 50.8138 556353.1142 -3.3923 -3.3902 PRESSURE: 3649400 142.27 -150.962 -15.3543 -150.963 58.8492 29.9738 -15.3542 29.9735 33.6169 GPRESSURE: 3649400 162.945 -149.329 -51.7468 -147.694 122.108 62.0039 -34.6319 -11.2555 39.6629 PRESSAVG: 3649400 -6.73153 12.3156 75.4654 12.3155 36.14 -53.2301 75.4654 -53.2302 -50.6003 GPRESSAVG: 3649400 -6.43751 13.7729 77.224 12.5195 35.6736 -51.6814 74.3265 -54.6395 -50.7375 TIMING: 3649400 CPU: 10575.2, 0.00288576/step Wall: 10575.2, 0.00288576/step, 1.08264 hours remaining, 211.117188 MB of memory in use. ENERGY: 3649400 716.3929 2075.4131 1957.0547 117.4748 -206135.3927 17884.4819 0.0000 0.0000 34085.7929 -149298.7824 297.6797 -183384.5753 -149202.3663 298.8076 78.2452 108.2386 557810.9246 -7.0639 -7.1672 PRESSURE: 3649600 -105.636 -27.6302 14.0721 -27.6294 -158.702 -35.9005 14.0727 -35.8995 -123.06 GPRESSURE: 3649600 -83.8901 -86.9808 14.8899 -85.0264 -124.237 -55.9493 64.2352 -53.7622 -89.471 PRESSAVG: 3649600 -30.3736 39.0048 -4.95884 39.0048 67.6475 -10.4855 -4.95892 -10.4854 -31.2699 GPRESSAVG: 3649600 -29.9614 40.4434 -6.27845 40.249 67.5874 -11.8917 -5.76663 -9.19885 -31.6726 TIMING: 3649600 CPU: 10575.8, 0.00287439/step Wall: 10575.8, 0.00287439/step, 1.07822 hours remaining, 211.117188 MB of memory in use. ENERGY: 3649600 782.0923 2049.0813 1945.3417 108.2592 -205970.7836 17654.5196 0.0000 0.0000 34249.8573 -149181.6322 299.1125 -183431.4895 -149078.4939 299.0254 -129.1326 -99.1992 558475.3361 2.0013 1.9845 PRESSURE: 3649800 -331.366 48.5705 -24.516 48.5712 -228.663 -251.118 -24.5151 -251.119 20.0789 GPRESSURE: 3649800 -287.117 6.38772 25.4475 62.7423 -203.137 -186.886 8.47575 -238.219 51.0631 PRESSAVG: 3649800 -2.37319 36.3098 13.2012 36.3097 62.7655 -0.199448 13.2013 -0.199396 -32.6727 GPRESSAVG: 3649800 -2.18079 35.4555 12.7961 35.6619 63.1041 -0.252495 13.5835 -0.980777 -33.2261 TIMING: 3649800 CPU: 10576.4, 0.00289937/step Wall: 10576.4, 0.00289937/step, 1.08742 hours remaining, 211.117188 MB of memory in use. ENERGY: 3649800 749.4249 2082.8819 1950.8635 118.4440 -205864.3428 17637.9661 0.0000 0.0000 34322.0984 -149002.6640 299.7434 -183324.7624 -148910.0215 299.5904 -179.9831 -146.3968 559789.1088 9.2399 9.2324 PRESSURE: 3650000 191.718 -10.1554 -12.0103 -10.1558 0.707024 -30.0215 -12.0109 -30.0219 -240.274 GPRESSURE: 3650000 253.221 -4.99895 -22.6925 -32.6309 -3.4946 -68.4945 28.7237 -24.458 -201.956 PRESSAVG: 3650000 -5.90526 -26.7773 -11.2206 -26.7773 -18.5611 -45.9795 -11.2206 -45.9794 24.1649 GPRESSAVG: 3650000 -6.10335 -25.6959 -10.6661 -27.877 -17.0234 -48.0092 -12.4291 -43.9219 23.2779 TIMING: 3650000 CPU: 10576.9, 0.00288756/step Wall: 10576.9, 0.00288756/step, 1.08284 hours remaining, 211.117188 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: 3650000 723.3130 2097.3164 1934.1493 116.3642 -205715.2284 17617.2025 0.0000 0.0000 34269.1298 -148957.7533 299.2808 -183226.8830 -148864.6218 299.7604 -15.9496 15.9234 558848.0608 -0.1005 0.0504 PRESSURE: 3650200 -126.059 52.3383 107.39 52.3377 208.83 55.2049 107.391 55.2051 -184.054 GPRESSURE: 3650200 -32.0869 108.579 93.345 54.6583 188.22 77.224 144.999 16.4007 -152.021 PRESSAVG: 3650200 48.7493 -5.78331 -20.046 -5.78339 -0.897111 41.3376 -20.0459 41.3376 -15.4448 GPRESSAVG: 3650200 48.6884 -6.45656 -21.2211 -6.3905 -1.73012 40.941 -18.6306 39.4245 -14.2338 TIMING: 3650200 CPU: 10577.5, 0.00290242/step Wall: 10577.5, 0.00290242/step, 1.08824 hours remaining, 211.117188 MB of memory in use. ENERGY: 3650200 724.4496 2114.0224 1977.6923 121.9325 -205822.5300 17744.2599 0.0000 0.0000 34250.3432 -148889.8301 299.1168 -183140.1733 -148797.9625 300.6667 -33.7607 1.3707 558182.7856 10.8025 10.9082 PRESSURE: 3650400 -320.576 5.62252 107.246 5.62391 -142.417 -73.6006 107.246 -73.6012 -125.773 GPRESSURE: 3650400 -275.35 -6.80775 90.7712 -18.2668 -80.2204 48.0666 94.4173 -160.301 -146.41 PRESSAVG: 3650400 20.2423 -9.73846 33.3961 -9.73852 13.7999 25.9647 33.3961 25.9648 -6.49668 GPRESSAVG: 3650400 20.9693 -11.6668 32.5984 -9.34905 13.8701 28.6258 33.0099 24.7868 -7.17346 TIMING: 3650400 CPU: 10578.1, 0.00290206/step Wall: 10578.1, 0.00290206/step, 1.08795 hours remaining, 211.117188 MB of memory in use. ENERGY: 3650400 729.6440 2090.4930 1947.1708 107.3395 -205546.3730 17413.3471 0.0000 0.0000 34274.8205 -148983.5580 299.3305 -183258.3786 -148888.7689 300.0328 -196.2552 -167.3267 558435.0121 9.1818 9.2220 PRESSURE: 3650600 201.315 -40.6623 37.8732 -40.6625 28.4039 -36.6914 37.8721 -36.6906 45.7867 GPRESSURE: 3650600 264.7 -17.3073 18.983 4.56944 42.0533 13.1882 27.4794 -24.1887 64.7165 PRESSAVG: 3650600 81.6335 14.809 22.1441 14.809 -21.5564 24.4078 22.144 24.4078 -18.1016 GPRESSAVG: 3650600 81.8588 16.4646 23.4019 15.1397 -22.2311 22.1393 21.6832 26.9222 -17.3495 TIMING: 3650600 CPU: 10578.7, 0.00287498/step Wall: 10578.7, 0.00287498/step, 1.07764 hours remaining, 211.117188 MB of memory in use. ENERGY: 3650600 732.7218 2046.4286 1978.6871 102.1021 -205895.8102 17752.8511 0.0000 0.0000 34318.8762 -148964.1432 299.7153 -183283.0194 -148872.6997 300.2151 91.8353 123.8234 557056.1750 13.9919 14.0927 PRESSURE: 3650800 123.809 -25.0025 -67.7192 -25.0021 -85.4404 0.711538 -67.7193 0.710104 67.4562 GPRESSURE: 3650800 120.282 -59.4009 -24.1761 -25.7047 -47.9855 -6.38388 -13.8746 -8.80877 127.504 PRESSAVG: 3650800 39.1221 -61.2541 35.8653 -61.254 20.4263 -8.4605 35.8653 -8.46045 -78.8293 GPRESSAVG: 3650800 38.9487 -62.6118 36.5176 -61.5292 19.8534 -3.99566 36.3023 -11.1732 -78.227 TIMING: 3650800 CPU: 10579.2, 0.00286194/step Wall: 10579.2, 0.00286194/step, 1.07259 hours remaining, 211.117188 MB of memory in use. ENERGY: 3650800 767.2500 2087.1450 1964.5301 116.9299 -206173.2664 17904.7156 0.0000 0.0000 34305.0508 -149027.6451 299.5945 -183332.6959 -148937.0556 299.5098 35.2748 66.6004 557360.9772 -6.4270 -6.4750 PRESSURE: 3651000 47.4392 70.9591 -122.926 70.9608 -107.259 141.913 -122.927 141.913 62.5008 GPRESSURE: 3651000 69.0212 135.656 -77.7562 0.921628 -77.3392 98.1357 -143.608 214.023 108.106 PRESSAVG: 3651000 31.708 -32.3808 46.4831 -32.381 -6.58678 60.1052 46.4833 60.1052 -51.8313 GPRESSAVG: 3651000 32.7435 -31.6265 45.0323 -32.6187 -6.31321 56.2504 45.8047 61.8778 -52.4406 TIMING: 3651000 CPU: 10579.8, 0.00288107/step Wall: 10579.8, 0.00288107/step, 1.0796 hours remaining, 211.117188 MB of memory in use. ENERGY: 3651000 744.0781 2081.2409 1961.4670 100.2180 -206245.1585 17840.8892 0.0000 0.0000 34305.6766 -149211.5888 299.6000 -183517.2654 -149118.5249 299.6202 0.8938 33.2627 557875.4732 -8.9033 -8.6701 PRESSURE: 3651200 -362.03 28.6961 0.987408 28.6966 -16.2493 120.269 0.988072 120.269 -236.243 GPRESSURE: 3651200 -279.621 -12.0128 19.4869 11.2756 5.08742 105.299 24.4245 125.306 -239.944 PRESSAVG: 3651200 23.9926 -43.0763 6.05277 -43.0764 38.3124 99.1375 6.05274 99.1376 -66.2501 GPRESSAVG: 3651200 24.7413 -44.2126 6.24847 -43.5236 38.6194 99.2193 5.88028 98.1289 -67.2508 TIMING: 3651200 CPU: 10580.4, 0.0028912/step Wall: 10580.4, 0.0028912/step, 1.08324 hours remaining, 211.117188 MB of memory in use. ENERGY: 3651200 754.3619 2034.8351 1946.1348 115.9669 -205901.1957 17520.7317 0.0000 0.0000 34243.9143 -149285.2510 299.0606 -183529.1653 -149179.7868 298.8311 -204.8408 -171.4924 558394.6609 -1.3150 -1.2967 PRESSURE: 3651400 -167.969 41.9283 108.998 41.9283 -217.495 114.662 108.997 114.664 -129.849 GPRESSURE: 3651400 -147.88 71.7872 74.4695 13.8835 -168.364 173.945 117.728 108.018 -103.899 PRESSAVG: 3651400 21.0729 12.141 -52.1335 12.141 -0.209617 -16.8018 -52.1335 -16.8018 0.654211 GPRESSAVG: 3651400 20.6183 14.1441 -52.8204 11.0456 -1.00577 -14.4752 -50.8687 -16.2538 2.13206 TIMING: 3651400 CPU: 10581, 0.00287877/step Wall: 10581, 0.00287877/step, 1.07842 hours remaining, 211.320312 MB of memory in use. ENERGY: 3651400 722.9432 2100.4154 1956.1375 108.3504 -205878.6032 17533.3968 0.0000 0.0000 34039.3581 -149418.0017 297.2742 -183457.3598 -149320.4523 298.8679 -171.7714 -140.0476 557484.8305 7.1725 7.2482 PRESSURE: 3651600 125.005 164.786 -183.437 164.784 -134.07 168.356 -183.436 168.356 -21.3641 GPRESSURE: 3651600 149.672 152.686 -278.785 167.935 -92.3557 179.298 -127.295 175.989 18.9572 PRESSAVG: 3651600 58.945 -22.9547 -16.1146 -22.9548 14.229 -19.0919 -16.1146 -19.0919 -58.5818 GPRESSAVG: 3651600 59.5293 -23.5273 -17.0784 -23.0003 14.6718 -21.2009 -17.5494 -15.8541 -59.1357 TIMING: 3651600 CPU: 10581.6, 0.00287994/step Wall: 10581.6, 0.00287994/step, 1.0787 hours remaining, 211.320312 MB of memory in use. ENERGY: 3651600 717.5807 2117.3168 1951.5803 111.3417 -206373.3452 17917.6032 0.0000 0.0000 34147.2547 -149410.6678 298.2165 -183557.9225 -149320.8624 298.2648 -10.1428 25.4246 557362.2974 4.8641 5.0218 PRESSURE: 3651800 -119.754 81.1457 -87.5972 81.1458 18.3996 -35.4398 -87.5981 -35.4401 -3.52131 GPRESSURE: 3651800 -103.447 72.6662 -73.877 135.401 68.8479 -43.166 -67.276 -44.424 31.009 PRESSAVG: 3651800 43.3748 50.337 48.8437 50.337 -27.372 21.3747 48.8437 21.3746 -1.33378 GPRESSAVG: 3651800 42.0888 49.8033 51.0499 52.3619 -26.9221 22.4342 50.0347 16.8566 -0.740829 TIMING: 3651800 CPU: 10582.1, 0.00285555/step Wall: 10582.1, 0.00285555/step, 1.0694 hours remaining, 211.320312 MB of memory in use. ENERGY: 3651800 754.0789 2044.7252 1930.7922 118.9935 -206433.2700 17855.4183 0.0000 0.0000 34310.3500 -149418.9119 299.6408 -183729.2619 -149317.4560 299.2304 -34.9585 -1.1967 557350.0890 4.8897 4.8086 PRESSURE: 3652000 -118.799 46.6889 -50.8972 46.689 1.88993 37.7702 -50.8963 37.7721 167.234 GPRESSURE: 3652000 -68.1304 122.781 1.59899 37.6248 -30.4 11.8034 88.2946 77.9312 263.631 PRESSAVG: 3652000 11.6276 29.3159 1.27162 29.3159 -6.99408 -10.6207 1.27152 -10.6208 11.754 GPRESSAVG: 3652000 12.1551 29.6105 1.80058 28.0031 -7.08877 -10.5513 1.58132 -8.82931 11.038 TIMING: 3652000 CPU: 10582.7, 0.00285292/step Wall: 10582.7, 0.00285292/step, 1.06826 hours remaining, 211.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3652000 772.7524 2116.8365 1942.2744 126.0387 -206281.9142 17845.1217 0.0000 0.0000 34307.1000 -149171.7905 299.6124 -183478.8905 -149068.0792 299.7297 16.7751 55.0334 557188.3094 5.4625 5.3681 PRESSURE: 3652200 206.357 22.278 -156.281 22.2791 152.301 -118.516 -156.282 -118.516 123.554 GPRESSURE: 3652200 261.888 36.7685 -214.694 47.7585 167.745 -207.2 -139.497 -98.9642 158.728 PRESSAVG: 3652200 -30.7582 -20.6986 40.7339 -20.6986 45.861 -23.8515 40.7339 -23.8514 -37.1281 GPRESSAVG: 3652200 -30.5394 -18.621 40.2898 -24.5253 46.5417 -24.4199 41.0372 -22.7941 -38.3302 TIMING: 3652200 CPU: 10583.3, 0.00287024/step Wall: 10583.3, 0.00287024/step, 1.07459 hours remaining, 211.320312 MB of memory in use. ENERGY: 3652200 730.0964 2165.9783 1938.3155 115.7041 -206724.3546 18208.6022 0.0000 0.0000 34258.2861 -149307.3720 299.1861 -183565.6581 -149213.6898 299.2739 160.7370 196.1204 557352.7063 -7.3418 -7.4426 LDB: ============= START OF LOAD BALANCING ============== 10586.7 LDB: ============== END OF LOAD BALANCING =============== 10586.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10586.7 LDB: ============= START OF LOAD BALANCING ============== 10586.9 LDB: Largest compute 4773 load 0.026425 is 22.4% of average load 0.117995 LDB: Average compute 0.001727 is 1.5% of average load 0.117995 LDB: TIME 10586.9 LOAD: AVG 0.117995 MAX 0.179422 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.836 MB LDB: TIME 10586.9 LOAD: AVG 0.117995 MAX 0.179422 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.836 MB LDB: TIME 10586.9 LOAD: AVG 0.117995 MAX 0.179422 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.836 MB LDB: ============== END OF LOAD BALANCING =============== 10586.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10586.9 PRESSURE: 3652400 -127.132 -15.482 13.069 -15.4812 -150.864 -35.5472 13.0695 -35.5488 -123.016 GPRESSURE: 3652400 -110.502 -68.9453 -35.5362 -52.1745 -94.5569 32.6648 -6.80195 -73.6997 -106.086 PRESSAVG: 3652400 48.5381 -9.5923 -43.6969 -9.59231 36.1753 15.1777 -43.6969 15.1777 -42.0343 GPRESSAVG: 3652400 47.8627 -11.054 -43.7727 -7.01418 36.2915 16.2347 -44.66 13.4669 -41.4404 TIMING: 3652400 CPU: 10583.9, 0.00292492/step Wall: 10583.9, 0.00292492/step, 1.0949 hours remaining, 210.878906 MB of memory in use. ENERGY: 3652400 761.3491 2131.2376 1939.8022 108.4602 -206404.0737 17861.7962 0.0000 0.0000 34293.8587 -149307.5698 299.4968 -183601.4284 -149209.1627 299.4266 -133.6708 -103.7150 557378.1666 14.2263 14.2379 PRESSURE: 3652600 -50.6091 36.5512 -4.92446 36.5503 31.8571 147.847 -4.92442 147.847 197.312 GPRESSURE: 3652600 -1.53278 99.2211 5.26505 15.2193 82.8109 147.983 -25.8768 110.817 186.94 PRESSAVG: 3652600 -12.8569 8.3435 -57.8557 8.34348 -3.31373 -3.52025 -57.8557 -3.52012 -1.15667 GPRESSAVG: 3652600 -13.0311 7.98579 -56.7213 7.47595 -2.78174 -3.29154 -58.3478 -3.15378 -1.74207 TIMING: 3652600 CPU: 10584.4, 0.00286835/step Wall: 10584.4, 0.00286835/step, 1.07356 hours remaining, 211.062500 MB of memory in use. ENERGY: 3652600 724.1661 2092.0409 1912.3874 114.6709 -206625.9168 18124.8327 0.0000 0.0000 34206.5605 -149451.2582 298.7344 -183657.8187 -149348.2972 299.0081 59.5201 89.4060 557295.5071 -5.7758 -5.8516 PRESSURE: 3652800 52.1364 -105.214 -59.856 -105.214 161.405 78.0279 -59.8558 78.0292 216.092 GPRESSURE: 3652800 74.7604 -158.479 -47.2601 -101.109 166.938 100.781 -190.466 70.8416 288.52 PRESSAVG: 3652800 -11.2689 6.26223 11.4536 6.26226 -10.4296 -45.0048 11.4535 -45.0048 38.2282 GPRESSAVG: 3652800 -11.6457 6.11774 10.8475 8.83663 -11.2659 -46.4921 12.0731 -45.5059 39.6638 TIMING: 3652800 CPU: 10585, 0.00287072/step Wall: 10585, 0.00287072/step, 1.07429 hours remaining, 211.062500 MB of memory in use. ENERGY: 3652800 726.9684 2097.1690 1944.5015 112.0857 -206493.8994 18002.1250 0.0000 0.0000 34204.0980 -149406.9518 298.7129 -183611.0498 -149316.6241 298.4808 143.2112 176.7394 557213.8271 5.5099 5.5841 PRESSURE: 3653000 -22.3766 112.258 23.8556 112.257 -378.724 -90.4342 23.855 -90.4338 2.08653 GPRESSURE: 3653000 21.1897 72.4617 30.8367 161.466 -357.367 -31.2481 16.6517 -126.124 37.4144 PRESSAVG: 3653000 53.5044 10.4198 -14.109 10.4198 -69.1394 5.49495 -14.1091 5.49519 30.8046 GPRESSAVG: 3653000 53.986 10.5014 -16.1349 10.2506 -68.338 6.93873 -14.0179 3.9326 30.0183 TIMING: 3653000 CPU: 10585.6, 0.00287436/step Wall: 10585.6, 0.00287436/step, 1.07549 hours remaining, 211.062500 MB of memory in use. ENERGY: 3653000 736.3462 2080.4443 1949.0971 100.4851 -206301.2638 17840.2225 0.0000 0.0000 34306.0505 -149288.6180 299.6033 -183594.6685 -149194.9604 298.8752 -133.0048 -99.5876 559115.1926 5.0565 5.2221 PRESSURE: 3653200 -316.734 -23.1701 30.204 -23.1706 12.1272 -28.1177 30.204 -28.1182 -135.708 GPRESSURE: 3653200 -265.641 -32.6986 -14.7985 28.588 11.3052 -16.6905 -24.0391 -37.6753 -96.2306 PRESSAVG: 3653200 1.32138 14.528 5.35167 14.528 -31.516 23.6021 5.35171 23.6021 12.0678 GPRESSAVG: 3653200 1.82092 14.0093 5.91718 13.8771 -32.0721 24.0582 4.97058 23.9852 12.0116 TIMING: 3653200 CPU: 10586.1, 0.00286488/step Wall: 10586.1, 0.00286488/step, 1.07178 hours remaining, 211.062500 MB of memory in use. ENERGY: 3653200 743.7562 2150.7477 1966.6311 113.3939 -205912.1949 17573.9554 0.0000 0.0000 34077.4791 -149286.2314 297.6071 -183363.7105 -149197.4579 298.7775 -146.7714 -116.8556 558489.3795 -6.0423 -6.0799 PRESSURE: 3653400 152.235 167.472 -175.826 167.471 -312.261 10.7612 -175.825 10.7616 -27.9929 GPRESSURE: 3653400 168.059 92.0572 -204.434 158.463 -261.511 4.16025 -184.382 28.0579 4.20711 PRESSAVG: 3653400 -34.0209 -37.528 -15.2778 -37.5279 -9.3711 -26.9002 -15.2779 -26.9002 81.1013 GPRESSAVG: 3653400 -33.3068 -37.6447 -14.6668 -39.1448 -8.82441 -29.8742 -12.739 -24.8108 80.5932 TIMING: 3653400 CPU: 10586.7, 0.00288388/step Wall: 10586.7, 0.00288388/step, 1.07873 hours remaining, 211.062500 MB of memory in use. ENERGY: 3653400 752.5946 2118.3149 1973.4829 114.4357 -206253.7879 17691.8245 0.0000 0.0000 34269.6502 -149333.4850 299.2854 -183603.1353 -149237.5275 299.6338 -62.6728 -29.7484 557012.0969 12.5698 12.8207 PRESSURE: 3653600 -233.876 -65.4911 12.6795 -65.4906 -213.721 28.691 12.6804 28.6907 -260.365 GPRESSURE: 3653600 -213.946 -101.397 -52.7954 -88.8985 -174.168 -66.9182 31.4547 123.691 -210.536 PRESSAVG: 3653600 14.236 -47.935 -10.1203 -47.935 -29.2394 -29.1912 -10.1203 -29.1912 42.7006 GPRESSAVG: 3653600 14.6223 -46.396 -9.77846 -47.6801 -29.8973 -26.1526 -11.8664 -31.2642 43.3919 TIMING: 3653600 CPU: 10587.3, 0.0028526/step Wall: 10587.3, 0.0028526/step, 1.06687 hours remaining, 211.062500 MB of memory in use. ENERGY: 3653600 736.3290 2145.4921 1942.2554 115.8291 -206301.0524 17579.2881 0.0000 0.0000 34328.0015 -149453.8571 299.7950 -183781.8586 -149359.4653 298.6291 -235.9872 -199.5501 559036.5045 9.2324 9.3723 PRESSURE: 3653800 51.1966 203.132 102.514 203.131 98.2337 -53.7089 102.514 -53.7094 128.754 GPRESSURE: 3653800 78.2828 125.192 121.076 210.073 141.13 -62.1094 61.3976 -47.3247 165.571 PRESSAVG: 3653800 36.2823 -11.6466 36.4292 -11.6466 -0.625644 -14.2224 36.4293 -14.2225 -43.8485 GPRESSAVG: 3653800 35.8549 -12.7703 35.964 -11.1425 -0.355968 -15.9835 37.205 -12.7522 -43.5648 TIMING: 3653800 CPU: 10587.9, 0.00286316/step Wall: 10587.9, 0.00286316/step, 1.07066 hours remaining, 211.062500 MB of memory in use. ENERGY: 3653800 732.0977 2069.9213 1946.0993 119.0191 -206669.1577 18170.6538 0.0000 0.0000 34080.0229 -149551.3436 297.6293 -183631.3665 -149459.7094 298.1007 92.7281 128.3281 558330.4983 -2.7306 -2.6886 PRESSURE: 3654000 -216.257 -258.432 12.0682 -258.432 100.75 39.9098 12.069 39.9109 -143.78 GPRESSURE: 3654000 -146.063 -200.84 -3.47744 -229.904 119.445 132.858 -64.0845 8.5274 -137.423 PRESSAVG: 3654000 -41.3123 -17.5776 25.0412 -17.5776 49.5789 -2.55425 25.0412 -2.55428 24.4747 GPRESSAVG: 3654000 -40.8901 -18.4254 25.9471 -15.9617 48.8531 -1.81704 23.6953 -3.63509 24.8322 TIMING: 3654000 CPU: 10588.4, 0.00284558/step Wall: 10588.4, 0.00284558/step, 1.06393 hours remaining, 211.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3654000 756.5818 2137.5343 1962.0155 125.5222 -206181.5587 17656.2065 0.0000 0.0000 34170.9145 -149372.7839 298.4231 -183543.6984 -149286.5144 297.6575 -86.4291 -54.6804 557653.6176 10.9138 10.9317 PRESSURE: 3654200 -135.497 -55.4285 44.9748 -55.4288 15.7508 66.9544 44.9734 66.9542 -86.8166 GPRESSURE: 3654200 -88.2009 -79.5679 16.8684 19.3434 74.5483 78.4151 62.8193 38.5722 -92.2785 PRESSAVG: 3654200 -49.843 -10.9485 -2.94753 -10.9485 72.1606 -9.19457 -2.94758 -9.19449 -31.3117 GPRESSAVG: 3654200 -49.518 -11.9402 -4.98287 -13.1835 72.5375 -8.01264 -2.70517 -8.54591 -31.4941 TIMING: 3654200 CPU: 10589, 0.00285849/step Wall: 10589, 0.00285849/step, 1.0686 hours remaining, 211.062500 MB of memory in use. ENERGY: 3654200 722.4166 2102.9850 1950.8959 106.3227 -206207.6095 17787.4637 0.0000 0.0000 34171.9125 -149365.6132 298.4318 -183537.5257 -149271.5073 298.4977 -68.8542 -35.3104 557013.6268 -2.9980 -2.8249 PRESSURE: 3654400 223.754 5.79856 -47.1027 5.79995 253.639 -307.084 -47.1024 -307.083 203.125 GPRESSURE: 3654400 264.214 56.9635 -124.316 43.0891 291.495 -212.686 84.1246 -261.56 232.079 PRESSAVG: 3654400 -57.201 -34.8422 29.4284 -34.8421 41.1421 -15.4074 29.4285 -15.4073 45.399 GPRESSAVG: 3654400 -57.5448 -34.1703 32.0371 -34.8633 41.6697 -14.7455 27.4089 -14.771 45.4837 TIMING: 3654400 CPU: 10589.6, 0.00287985/step Wall: 10589.6, 0.00287985/step, 1.07643 hours remaining, 211.062500 MB of memory in use. ENERGY: 3654400 750.1752 2083.9834 1957.0236 119.5605 -206884.0812 18269.2963 0.0000 0.0000 34411.4099 -149292.6322 300.5234 -183704.0421 -149198.1785 299.2558 226.8397 262.5961 556423.7749 9.7800 9.8695 PRESSURE: 3654600 56.0995 -164.222 -100.989 -164.222 -183.072 153.26 -100.99 153.257 -392.279 GPRESSURE: 3654600 85.207 -142.582 -123.99 -96.6935 -120.128 128.411 -125.443 158.317 -379.172 PRESSAVG: 3654600 -33.6522 -0.302474 52.1017 -0.302392 21.4099 32.3184 52.1017 32.3186 4.80933 GPRESSAVG: 3654600 -33.6601 1.30151 50.0215 -1.10353 21.6376 30.8023 55.3111 33.5809 4.92652 TIMING: 3654600 CPU: 10590.2, 0.00287684/step Wall: 10590.2, 0.00287684/step, 1.07514 hours remaining, 211.062500 MB of memory in use. ENERGY: 3654600 767.7563 2079.4058 1942.8206 111.1897 -206096.2519 17617.5206 0.0000 0.0000 34074.4782 -149503.0807 297.5809 -183577.5590 -149416.2323 298.4731 -173.0840 -138.0310 558344.5755 -2.4777 -2.3653 PRESSURE: 3654800 36.0582 79.0028 -21.107 79.0027 -46.2914 90.319 -21.1067 90.3197 86.0788 GPRESSURE: 3654800 92.7148 27.9016 -54.7752 127.742 -16.0153 38.6141 -59.4904 159.059 99.001 PRESSAVG: 3654800 33.1733 -7.21963 -14.6716 -7.21966 -1.80761 -12.6974 -14.6715 -12.6973 -19.539 GPRESSAVG: 3654800 33.01 -8.81261 -14.0665 -6.5656 -1.51942 -13.8866 -15.0361 -15.5576 -19.3452 TIMING: 3654800 CPU: 10590.7, 0.00287461/step Wall: 10590.7, 0.00287461/step, 1.07415 hours remaining, 211.062500 MB of memory in use. ENERGY: 3654800 723.5120 2095.1152 1940.7950 108.6761 -206444.2500 17846.7511 0.0000 0.0000 34363.3462 -149366.0544 300.1036 -183729.4006 -149265.9822 298.5275 25.2819 58.5668 557285.8245 3.9422 4.0484 PRESSURE: 3655000 164.994 78.6667 151.188 78.6661 83.3191 164.877 151.19 164.88 -100.622 GPRESSURE: 3655000 169.879 43.5477 127.685 99.6688 86.094 216.995 127.025 62.9648 -18.3433 PRESSAVG: 3655000 -36.3706 31.9094 61.1476 31.9094 55.9617 4.18869 61.1476 4.18876 -5.55021 GPRESSAVG: 3655000 -36.203 33.5782 65.6746 31.4292 56.6927 4.66965 57.8997 4.44806 -6.17804 TIMING: 3655000 CPU: 10591.3, 0.00288461/step Wall: 10591.3, 0.0028846/step, 1.07772 hours remaining, 211.062500 MB of memory in use. ENERGY: 3655000 709.7264 2099.7262 1940.5956 113.7889 -206133.0973 17820.9067 0.0000 0.0000 34256.5799 -149191.7735 299.1712 -183448.3534 -149098.5875 298.6619 49.2305 79.2097 558071.0451 4.6803 4.7706 PRESSURE: 3655200 16.5713 -86.3093 -31.1064 -86.3091 -251.209 170.237 -31.1057 170.236 -223.167 GPRESSURE: 3655200 52.6703 -155.765 -68.6629 9.84753 -230.244 248.139 -3.31516 86.8037 -186.636 PRESSAVG: 3655200 24.068 -28.8075 -38.4421 -28.8076 67.7767 16.9149 -38.4421 16.9148 -82.6047 GPRESSAVG: 3655200 23.2664 -29.1238 -41.0298 -29.759 66.8671 18.0091 -36.4478 17.6255 -81.5126 TIMING: 3655200 CPU: 10591.9, 0.00289692/step Wall: 10591.9, 0.00289692/step, 1.08216 hours remaining, 211.062500 MB of memory in use. ENERGY: 3655200 755.4976 2133.2223 1955.3376 103.0156 -205781.0297 17586.7707 0.0000 0.0000 34169.9717 -149077.2142 298.4149 -183247.1859 -148983.1052 298.7062 -152.6014 -121.4033 558038.7040 3.0800 2.8736 PRESSURE: 3655400 133.757 143.451 172.841 143.449 122.145 -10.2029 172.84 -10.2029 94.6871 GPRESSURE: 3655400 223.93 240.948 167.249 101.475 131.733 3.33213 105.833 -60.8043 91.9276 PRESSAVG: 3655400 -13.1938 26.6409 -7.0391 26.6407 14.9013 27.0231 -7.03909 27.0231 -7.08966 GPRESSAVG: 3655400 -12.9465 26.8558 -6.20542 27.998 15.0967 25.3054 -7.33468 26.7794 -7.74267 TIMING: 3655400 CPU: 10592.5, 0.00288582/step Wall: 10592.5, 0.00288582/step, 1.07785 hours remaining, 211.062500 MB of memory in use. ENERGY: 3655400 733.7183 2068.8418 1961.4165 112.2646 -206582.2269 18114.9496 0.0000 0.0000 34435.0839 -149155.9524 300.7302 -183591.0362 -149052.9278 299.8373 116.8633 149.1968 558533.3810 -1.7941 -1.8642 PRESSURE: 3655600 -214.102 -90.8631 -72.5579 -90.8626 21.8306 13.9231 -72.5569 13.9228 -138.032 GPRESSURE: 3655600 -150.599 -93.1958 -31.441 -83.1027 34.918 -169.011 -37.5821 49.6063 -120.513 PRESSAVG: 3655600 24.4453 -31.8432 41.1841 -31.8431 20.9779 5.88229 41.184 5.88221 -51.2718 GPRESSAVG: 3655600 24.9308 -32.8055 41.4135 -33.5155 20.6766 5.65167 40.8162 7.2171 -51.2703 TIMING: 3655600 CPU: 10593, 0.00285016/step Wall: 10593, 0.00285016/step, 1.06438 hours remaining, 211.062500 MB of memory in use. ENERGY: 3655600 737.4739 2098.6318 1941.3026 100.4873 -205972.7427 17562.2390 0.0000 0.0000 34385.0986 -149147.5095 300.2936 -183532.6081 -149049.4769 299.6740 -110.1010 -78.7313 556464.3741 -1.9495 -1.8876 PRESSURE: 3655800 -165.66 126.826 -21.0323 126.825 55.2773 -91.9787 -21.0324 -91.9795 147.384 GPRESSURE: 3655800 -71.3815 190.544 -27.2451 43.2595 99.5055 -149.899 -31.1908 -29.2432 106.174 PRESSAVG: 3655800 -17.3265 30.661 41.2882 30.661 24.4812 -37.3344 41.2881 -37.3344 17.8573 GPRESSAVG: 3655800 -18.2902 30.5028 39.0957 31.941 25.2519 -38.5182 43.0772 -36.8448 18.6387 TIMING: 3655800 CPU: 10593.6, 0.0028735/step Wall: 10593.6, 0.0028735/step, 1.07293 hours remaining, 211.062500 MB of memory in use. ENERGY: 3655800 754.5456 2083.3786 1979.0951 118.4734 -206205.5556 17781.2390 0.0000 0.0000 34310.9660 -149177.8578 299.6462 -183488.8238 -149086.7658 299.7020 12.3336 44.7659 558453.8086 8.3373 8.5334 PRESSURE: 3656000 -5.77774 -72.1124 83.8459 -72.1116 -340.682 133.557 83.8458 133.558 51.7368 GPRESSURE: 3656000 -26.9633 -132.292 112.394 16.0788 -226.354 98.6225 82.3029 76.5272 62.2245 PRESSAVG: 3656000 -75.5751 -52.2335 71.5327 -52.2335 18.3975 -88.8426 71.5327 -88.8425 48.1424 GPRESSAVG: 3656000 -75.0637 -51.327 72.6444 -53.0952 19.2263 -88.1003 71.9598 -89.6118 47.0039 TIMING: 3656000 CPU: 10594.2, 0.00288668/step Wall: 10594.2, 0.00288668/step, 1.07769 hours remaining, 211.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3656000 724.3087 2052.5280 1955.7747 116.2591 -206221.4458 17658.7401 0.0000 0.0000 34400.4236 -149313.4116 300.4275 -183713.8352 -149221.4176 299.2722 -98.2410 -63.6977 558014.7578 -3.0117 -2.9445 PRESSURE: 3656200 -215.833 -2.34053 242.009 -2.34005 -105.788 60.4179 242.008 60.4175 -38.0897 GPRESSURE: 3656200 -161.997 0.93404 244.3 41.1907 -77.7767 78.5388 141.441 17.3038 -15.9567 PRESSAVG: 3656200 54.8564 -37.2462 -5.12902 -37.2462 -46.0584 -44.3208 -5.12903 -44.3207 34.0695 GPRESSAVG: 3656200 54.9297 -37.2458 -5.95339 -37.5196 -47.1156 -43.0552 -5.85311 -45.2273 34.8509 TIMING: 3656200 CPU: 10594.8, 0.00289219/step Wall: 10594.8, 0.00289219/step, 1.07959 hours remaining, 211.062500 MB of memory in use. ENERGY: 3656200 749.7182 2063.9203 1945.8517 103.7868 -206388.4940 17867.8058 0.0000 0.0000 34221.0356 -149436.3756 298.8608 -183657.4112 -149336.9137 298.7451 -119.9036 -85.2434 559544.1859 14.2892 14.2217 LDB: ============= START OF LOAD BALANCING ============== 10598.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10598.2 LDB: =============== DONE WITH MIGRATION ================ 10598.2 LDB: ============= START OF LOAD BALANCING ============== 10598.4 LDB: Largest compute 4773 load 0.027134 is 23.0% of average load 0.117979 LDB: Average compute 0.001727 is 1.5% of average load 0.117979 LDB: TIME 10598.4 LOAD: AVG 0.117979 MAX 0.181575 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 10598.4 LOAD: AVG 0.117979 MAX 0.181575 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 10598.4 LOAD: AVG 0.117979 MAX 0.181575 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: ============== END OF LOAD BALANCING =============== 10598.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10598.5 PRESSURE: 3656400 169.493 25.9555 -15.0347 25.9557 165.771 -82.1156 -15.0356 -82.1163 141.648 GPRESSURE: 3656400 171.299 98.2643 -60.6599 16.7107 236.931 -96.1842 15.8927 32.0571 161.49 PRESSAVG: 3656400 6.96342 -4.71645 -4.17113 -4.71644 -5.88607 -18.457 -4.17117 -18.4569 40.2307 GPRESSAVG: 3656400 6.9337 -6.04166 -3.33774 -3.27856 -5.85729 -19.5678 -3.74947 -18.5768 40.662 TIMING: 3656400 CPU: 10595.4, 0.00294768/step Wall: 10595.4, 0.00294768/step, 1.10014 hours remaining, 212.921875 MB of memory in use. ENERGY: 3656400 720.0877 2052.8954 1968.8046 105.3432 -206588.7066 18074.7319 0.0000 0.0000 34516.2495 -149150.5942 301.4390 -183666.8437 -149044.3173 299.4515 158.9705 189.9068 556844.6252 13.7694 13.9128 PRESSURE: 3656600 98.3922 -170.66 91.5087 -170.661 -65.7629 0.650642 91.5082 0.650488 -28.4309 GPRESSURE: 3656600 142.382 -143.375 124.932 -308.612 -62.9318 -35.3311 50.1402 -59.7632 18.4866 PRESSAVG: 3656600 2.36655 -75.7263 53.3816 -75.7263 -48.9628 -15.6938 53.3816 -15.6938 14.7147 GPRESSAVG: 3656600 1.71654 -73.3327 52.6578 -76.8519 -48.6415 -15.6602 50.9263 -14.6306 14.9517 TIMING: 3656600 CPU: 10595.9, 0.00290644/step Wall: 10595.9, 0.00290644/step, 1.08459 hours remaining, 212.992188 MB of memory in use. ENERGY: 3656600 774.3813 2134.8012 1952.0523 106.8289 -206230.3321 17748.6350 0.0000 0.0000 34239.4404 -149274.1929 299.0215 -183513.6333 -149175.2815 299.2320 1.3995 32.6455 556241.4753 -10.6272 -10.6578 PRESSURE: 3656800 -197.276 66.9526 -3.40833 66.9538 -22.5976 118.545 -3.40785 118.546 -72.4615 GPRESSURE: 3656800 -186.873 26.3686 -56.4733 74.7076 -14.3015 124.637 39.4628 130.813 5.99523 PRESSAVG: 3656800 12.7665 -52.3926 -12.9184 -52.3926 -15.032 35.2807 -12.9184 35.2809 -22.582 GPRESSAVG: 3656800 13.9363 -55.1795 -12.0725 -49.2797 -16.2032 34.6133 -9.96395 34.5514 -22.5103 TIMING: 3656800 CPU: 10596.5, 0.00289232/step Wall: 10596.5, 0.00289232/step, 1.07916 hours remaining, 212.992188 MB of memory in use. ENERGY: 3656800 760.0782 2056.5008 1948.6380 104.3845 -205919.4160 17751.4350 0.0000 0.0000 34261.3570 -149037.0224 299.2130 -183298.3794 -148941.3645 299.6485 -97.4451 -65.0598 556997.7836 -8.2825 -8.2590 PRESSURE: 3657000 -88.6512 -144.528 131.628 -144.527 99.7214 -6.95277 131.627 -6.95153 272.341 GPRESSURE: 3657000 -29.0974 -108.97 164.778 -1.55938 68.6957 13.1516 79.4826 19.1038 339.929 PRESSAVG: 3657000 45.1044 21.0139 43.684 21.0138 14.2677 33.9611 43.6841 33.9609 6.14431 GPRESSAVG: 3657000 45.0287 23.8808 44.1732 17.2878 15.2898 35.4654 43.3134 34.4016 5.46367 TIMING: 3657000 CPU: 10597.1, 0.0028653/step Wall: 10597.1, 0.0028653/step, 1.06891 hours remaining, 212.992188 MB of memory in use. ENERGY: 3657000 758.9655 2035.7607 1936.2628 108.3432 -206095.1738 17874.2084 0.0000 0.0000 34306.7331 -149074.9002 299.6092 -183381.6333 -148977.0927 299.4183 94.4703 126.5090 555657.6366 21.8388 21.9274 PRESSURE: 3657200 -120.792 32.1015 -12.1647 32.1032 2.16329 70.7286 -12.1643 70.7266 7.10627 GPRESSURE: 3657200 -50.8138 51.7101 3.00259 -39.5874 36.7643 91.1995 -29.6168 25.8222 -0.477522 PRESSAVG: 3657200 -44.3994 34.6987 28.7025 34.6987 15.277 45.7909 28.7026 45.7909 -2.20822 GPRESSAVG: 3657200 -45.9044 31.9313 26.2498 35.9811 15.1276 46.9065 30.8099 44.7148 -1.19533 TIMING: 3657200 CPU: 10597.7, 0.00287597/step Wall: 10597.7, 0.00287597/step, 1.07274 hours remaining, 212.992188 MB of memory in use. ENERGY: 3657200 737.4536 2088.1757 1969.3321 96.0688 -205890.9533 17623.9415 0.0000 0.0000 34440.6854 -148935.2963 300.7791 -183375.9817 -148840.3262 299.9388 -37.1740 -4.8424 556507.7812 -10.4435 -10.6574 PRESSURE: 3657400 -128.614 44.207 -177.592 44.2058 -441.752 -94.3707 -177.591 -94.3695 49.8511 GPRESSURE: 3657400 -136.856 12.7826 -136.312 29.8859 -412.727 -153.008 -157.429 -118.326 133.801 PRESSAVG: 3657400 -25.1544 -12.7434 44.5118 -12.7434 -99.1181 17.937 44.5118 17.937 97.9755 GPRESSAVG: 3657400 -23.899 -11.3195 48.7035 -14.2982 -99.7479 15.5362 41.1932 17.8301 97.7215 TIMING: 3657400 CPU: 10598.2, 0.0028806/step Wall: 10598.2, 0.0028806/step, 1.0743 hours remaining, 212.992188 MB of memory in use. ENERGY: 3657400 763.9307 2082.6045 1957.6611 113.8253 -205542.0857 17405.1628 0.0000 0.0000 34414.8719 -148804.0294 300.5536 -183218.9013 -148706.6635 300.4985 -173.5049 -138.5941 557345.7129 -8.7657 -8.6418 PRESSURE: 3657600 -68.7806 125.204 142.848 125.204 -41.9494 89.3383 142.848 89.3371 196.786 GPRESSURE: 3657600 -61.2941 95.711 110.899 94.1666 -30.7485 90.1199 136.288 43.463 285.3 PRESSAVG: 3657600 -13.1191 27.7787 -43.7518 27.7787 -11.7245 -27.9886 -43.7518 -27.9887 45.8467 GPRESSAVG: 3657600 -12.5618 25.4475 -45.1018 28.3678 -11.5387 -27.2717 -43.0984 -26.7463 45.4379 TIMING: 3657600 CPU: 10598.8, 0.00287039/step Wall: 10598.8, 0.00287039/step, 1.07034 hours remaining, 212.992188 MB of memory in use. ENERGY: 3657600 722.9226 2071.9949 1947.9436 115.9394 -205775.7125 17607.0820 0.0000 0.0000 34490.1494 -148819.6806 301.2111 -183309.8300 -148726.3348 301.1979 28.6854 64.4192 556282.6327 7.0011 7.1124 PRESSURE: 3657800 -95.8064 36.1893 36.5003 36.1894 169.655 -45.7259 36.5008 -45.7256 205.329 GPRESSURE: 3657800 23.7599 49.9875 56.574 -4.7473 121.515 -64.6967 90.3818 -97.6928 240.669 PRESSAVG: 3657800 -57.0188 48.434 31.4113 48.434 72.0732 -15.8349 31.4111 -15.8349 -17.9674 GPRESSAVG: 3657800 -55.785 50.5533 30.9321 51.964 71.4862 -15.6386 31.4676 -17.1948 -18.5856 TIMING: 3657800 CPU: 10599.4, 0.0028736/step Wall: 10599.4, 0.0028736/step, 1.07137 hours remaining, 212.992188 MB of memory in use. ENERGY: 3657800 751.5487 2091.4327 1934.3308 106.6011 -206403.8912 18172.5041 0.0000 0.0000 34255.5690 -149091.9048 299.1624 -183347.4737 -148995.8788 300.2310 93.0591 128.6482 558196.9259 -0.9710 -0.9615 PRESSURE: 3658000 -139.138 232.702 170.948 232.701 -82.9896 97.3212 170.947 97.3214 91.778 GPRESSURE: 3658000 -121.411 195.068 153.598 277.348 16.654 120.706 204.196 89.3323 58.6888 PRESSAVG: 3658000 -79.8062 -10.382 -24.019 -10.3821 24.8229 -36.5874 -24.019 -36.5874 51.9678 GPRESSAVG: 3658000 -81.6278 -11.8089 -25.4749 -13.1952 26.9966 -35.6632 -23.0834 -35.1535 51.798 TIMING: 3658000 CPU: 10600, 0.00287317/step Wall: 10600, 0.00287317/step, 1.07106 hours remaining, 212.992188 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: 3658000 738.6730 2134.2042 1949.9721 112.5853 -206218.7029 17942.1257 0.0000 0.0000 34322.2297 -149018.9129 299.7446 -183341.1426 -148917.1270 299.7471 -43.4500 -15.3561 557868.5257 -1.0051 -0.9444 PRESSURE: 3658200 33.8608 -1.34869 64.0461 -1.34921 -78.1465 -7.73549 64.0464 -7.73464 -150.992 GPRESSURE: 3658200 75.0322 -14.2625 74.9304 38.234 -62.7054 -59.6695 -53.8117 2.32586 -107.009 PRESSAVG: 3658200 -20.568 31.1557 22.6654 31.1558 -9.5712 -9.14374 22.6654 -9.14387 26.2974 GPRESSAVG: 3658200 -20.0178 31.5338 21.9165 31.3899 -9.88105 -9.46496 23.8631 -10.1668 26.0527 TIMING: 3658200 CPU: 10600.5, 0.00286822/step Wall: 10600.5, 0.00286822/step, 1.06905 hours remaining, 212.992188 MB of memory in use. ENERGY: 3658200 737.4177 2106.0934 1964.5884 107.5487 -205881.7759 17819.2972 0.0000 0.0000 34180.0914 -148966.7392 298.5032 -183146.8306 -148874.6307 300.1170 -65.0927 -31.5608 559446.6966 -1.2806 -1.2820 PRESSURE: 3658400 -18.9361 -66.3935 -150.753 -66.3942 190.404 59.0904 -150.753 59.0923 -109.332 GPRESSURE: 3658400 7.99325 -71.1443 -188.498 -64.9211 186.342 -18.9057 -116.108 116.894 -29.7701 PRESSAVG: 3658400 8.3832 -29.91 51.1366 -29.9101 -14.9447 21.1445 51.1366 21.1445 38.7461 GPRESSAVG: 3658400 8.67984 -29.0209 52.2754 -28.9385 -16.3346 21.9756 50.3371 20.0323 40.6502 TIMING: 3658400 CPU: 10601.1, 0.00286215/step Wall: 10601.1, 0.00286215/step, 1.06663 hours remaining, 212.992188 MB of memory in use. ENERGY: 3658400 771.5948 2049.8119 1959.8944 122.3148 -206308.1378 17905.0798 0.0000 0.0000 34394.2948 -149105.1472 300.3739 -183499.4420 -149015.8242 300.6174 20.7119 54.8550 557889.8234 10.7282 10.9985 PRESSURE: 3658600 128.658 50.4231 69.0091 50.4235 160.773 55.8456 69.0097 55.8466 159.436 GPRESSURE: 3658600 123.047 121.612 -21.1815 -27.6518 243.05 111.304 133.765 -35.3656 173.125 PRESSAVG: 3658600 26.3544 -25.1871 66.8029 -25.1871 -1.86251 -42.1921 66.8028 -42.1921 -32.3677 GPRESSAVG: 3658600 25.912 -24.7882 65.6487 -27.4833 -1.242 -43.7462 68.0419 -41.3008 -32.5439 TIMING: 3658600 CPU: 10601.7, 0.00288029/step Wall: 10601.7, 0.00288029/step, 1.07323 hours remaining, 212.992188 MB of memory in use. ENERGY: 3658600 734.5814 2125.3594 1970.3276 113.8741 -206550.8459 18228.3679 0.0000 0.0000 34105.8579 -149272.4776 297.8549 -183378.3355 -149173.6450 299.3226 149.6224 179.7403 556559.3175 -2.6252 -2.6246 PRESSURE: 3658800 -74.4476 -0.335354 -16.5868 -0.334284 -102.745 -76.1151 -16.5872 -76.1153 -330.198 GPRESSURE: 3658800 -78.1181 -67.1135 69.9062 112.475 -62.3557 -38.8668 -4.55443 -81.1635 -278.792 PRESSAVG: 3658800 -8.2337 17.8464 42.2707 17.8464 3.48054 18.2675 42.2707 18.2674 11.4564 GPRESSAVG: 3658800 -8.24739 18.1539 43.3823 19.6586 4.18118 18.3602 40.9186 17.0361 10.6735 TIMING: 3658800 CPU: 10602.3, 0.00287935/step Wall: 10602.3, 0.00287935/step, 1.07272 hours remaining, 212.992188 MB of memory in use. ENERGY: 3658800 748.7885 2083.9503 1953.8217 109.4644 -206049.7979 17655.7973 0.0000 0.0000 34183.2104 -149314.7653 298.5305 -183497.9757 -149217.1304 299.2069 -169.1302 -139.7551 557211.9857 2.2344 2.2024 PRESSURE: 3659000 262.431 97.8158 83.0008 97.8157 90.817 274.492 83.0018 274.492 331.215 GPRESSURE: 3659000 321.892 45.3416 102.65 24.6282 145.671 244.408 30.7755 201.606 306.025 PRESSAVG: 3659000 0.779305 -8.48236 43.3731 -8.48234 6.42302 15.9094 43.373 15.9094 -25.6044 GPRESSAVG: 3659000 0.835567 -8.95252 43.9926 -8.99896 6.73544 17.7706 42.7807 16.9669 -26.379 TIMING: 3659000 CPU: 10602.8, 0.00287973/step Wall: 10602.8, 0.00287973/step, 1.0727 hours remaining, 212.992188 MB of memory in use. ENERGY: 3659000 742.4367 2091.9939 1928.5065 106.9637 -206767.0913 18186.5253 0.0000 0.0000 34436.6034 -149274.0618 300.7434 -183710.6652 -149179.7175 299.3706 228.1541 257.8626 557196.8527 -6.1340 -6.2693 PRESSURE: 3659200 196.216 206.221 -75.4239 206.22 126.14 -14.014 -75.4252 -14.0127 -22.9581 GPRESSURE: 3659200 179.754 92.5109 -5.85629 222.063 231.875 15.4774 -22.0696 -35.5272 -16.1698 PRESSAVG: 3659200 24.6572 -11.3943 28.5592 -11.3942 23.6305 -42.8447 28.5592 -42.8449 -43.2412 GPRESSAVG: 3659200 23.0805 -12.6403 27.3497 -10.0478 23.8472 -45.1697 29.9027 -43.2451 -41.6916 TIMING: 3659200 CPU: 10603.4, 0.0028815/step Wall: 10603.4, 0.0028815/step, 1.0732 hours remaining, 212.992188 MB of memory in use. ENERGY: 3659200 715.0676 2087.5621 1949.5966 115.2183 -206362.9426 17968.7606 0.0000 0.0000 34252.8779 -149273.8597 299.1389 -183526.7376 -149179.5192 299.1581 99.7993 131.8198 556124.6151 1.6822 1.7454 PRESSURE: 3659400 -24.2556 -36.9967 110.024 -36.9957 206.817 -13.4415 110.025 -13.4408 -72.4469 GPRESSURE: 3659400 38.0257 8.23764 193.019 -75.7433 180.713 139.595 24.7372 -41.764 -19.7752 PRESSAVG: 3659400 14.1843 -38.6774 24.2226 -38.6775 29.7783 0.90958 24.2226 0.909659 -78.474 GPRESSAVG: 3659400 14.6054 -37.5846 24.2868 -37.8557 30.3446 1.32673 22.9667 0.821776 -78.9235 TIMING: 3659400 CPU: 10604, 0.00287892/step Wall: 10604, 0.00287892/step, 1.07208 hours remaining, 212.992188 MB of memory in use. ENERGY: 3659400 791.5465 2085.7355 1946.2806 113.0814 -206647.2683 18123.4962 0.0000 0.0000 34201.3850 -149385.7431 298.6892 -183587.1281 -149288.7567 299.2785 36.7047 66.3213 557472.7323 -11.5038 -11.3245 PRESSURE: 3659600 262.153 -1.78148 -28.9883 -1.78143 -78.7422 135.354 -28.9878 135.355 172.168 GPRESSURE: 3659600 271.338 15.0293 35.1141 -42.1618 -25.3225 115.767 36.3591 132.689 208.757 PRESSAVG: 3659600 20.6386 3.76531 38.9126 3.76538 -7.59505 -30.9788 38.9127 -30.9787 12.7194 GPRESSAVG: 3659600 19.9395 3.25974 39.7846 1.95096 -7.93858 -30.1882 41.3072 -30.3567 13.6475 TIMING: 3659600 CPU: 10604.6, 0.00289219/step Wall: 10604.6, 0.00289219/step, 1.07686 hours remaining, 212.992188 MB of memory in use. ENERGY: 3659600 707.5773 2084.2541 1949.5510 121.9084 -206439.9564 17993.5465 0.0000 0.0000 34177.5003 -149405.6188 298.4806 -183583.1191 -149313.7861 299.2146 118.5261 151.5909 556514.7527 8.5876 8.5495 PRESSURE: 3659800 -148.412 -43.7621 152.618 -43.7631 -203.933 -54.1622 152.618 -54.1625 -495.706 GPRESSURE: 3659800 -159.213 -86.1808 226.19 -25.5942 -186.828 -61.6697 73.1716 11.5135 -399.238 PRESSAVG: 3659800 41.2116 48.3422 33.4051 48.3422 -15.8512 23.7242 33.405 23.7242 -1.2315 GPRESSAVG: 3659800 41.9783 47.551 35.3761 50.6967 -16.1914 22.4654 30.746 23.2798 -2.35183 TIMING: 3659800 CPU: 10605.1, 0.00288556/step Wall: 10605.1, 0.00288556/step, 1.07423 hours remaining, 212.992188 MB of memory in use. ENERGY: 3659800 750.5084 2113.5780 1953.7127 109.6447 -206199.7291 17619.6108 0.0000 0.0000 34427.0775 -149225.5970 300.6602 -183652.6745 -149133.7970 298.8982 -282.6836 -248.4263 559295.2978 8.0430 7.8117 PRESSURE: 3660000 -78.6905 76.4766 62.7388 76.4776 -192.264 7.11571 62.7389 7.11618 160.539 GPRESSURE: 3660000 -36.4148 65.5239 61.9106 138.851 -121.549 -11.972 -11.5061 -34.3894 155.901 PRESSAVG: 3660000 24.8764 -0.251895 1.00817 -0.251802 -40.1911 32.4588 1.00805 32.4589 -33.634 GPRESSAVG: 3660000 24.686 0.580438 -0.634391 -3.79058 -40.5467 30.8787 3.47002 33.3625 -32.7895 TIMING: 3660000 CPU: 10605.7, 0.00288995/step Wall: 10605.7, 0.00288995/step, 1.0757 hours remaining, 212.992188 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: 3660000 761.2825 2069.9842 1932.0786 118.3829 -205990.8010 17795.1569 0.0000 0.0000 34105.2679 -149208.6481 297.8498 -183313.9159 -149113.5192 299.8669 -36.8053 -0.6873 558264.5864 -16.3162 -16.2167 PRESSURE: 3660200 -60.3556 -67.8076 -113.655 -67.8075 -130.41 205.81 -113.653 205.81 95.5212 GPRESSURE: 3660200 -52.4636 -35.8482 -94.6009 -100.717 -91.3279 180.083 -70.3427 162.412 147.671 PRESSAVG: 3660200 64.3128 20.8992 -25.769 20.8992 -17.849 2.08043 -25.7688 2.08046 -1.58288 GPRESSAVG: 3660200 64.4368 20.2048 -25.6604 23.8747 -18.0913 1.90925 -26.6029 1.76431 -2.1623 TIMING: 3660200 CPU: 10606.3, 0.00289253/step Wall: 10606.3, 0.00289253/step, 1.0765 hours remaining, 212.992188 MB of memory in use. ENERGY: 3660200 754.3497 2062.3338 1965.9056 108.2492 -206156.5875 17718.5959 0.0000 0.0000 34280.6355 -149266.5180 299.3813 -183547.1534 -149177.0742 298.7518 -31.7482 1.2930 557449.3810 14.9603 14.7277 LDB: ============= START OF LOAD BALANCING ============== 10609.7 LDB: ============== END OF LOAD BALANCING =============== 10609.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10609.7 LDB: ============= START OF LOAD BALANCING ============== 10610 LDB: Largest compute 4792 load 0.025329 is 21.5% of average load 0.117954 LDB: Average compute 0.001720 is 1.5% of average load 0.117954 LDB: TIME 10610 LOAD: AVG 0.117954 MAX 0.179022 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.695 MB LDB: TIME 10610 LOAD: AVG 0.117954 MAX 0.179022 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.695 MB LDB: TIME 10610 LOAD: AVG 0.117954 MAX 0.179022 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.695 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10610 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10610 PRESSURE: 3660400 7.6666 14.9522 39.8989 14.9509 -37.0215 -79.2763 39.8982 -79.2753 -108.761 GPRESSURE: 3660400 -11.5708 -4.58594 50.9194 109.952 53.2534 -117.065 -36.5831 -124.597 -79.7126 PRESSAVG: 3660400 -64.7036 -28.1191 -12.8196 -28.1192 -17.4185 -5.97006 -12.8195 -5.97001 106.994 GPRESSAVG: 3660400 -65.7764 -25.4763 -11.8963 -28.9546 -17.6692 -4.28854 -13.9487 -5.67354 107.506 TIMING: 3660400 CPU: 10606.9, 0.00295209/step Wall: 10606.9, 0.00295209/step, 1.0985 hours remaining, 210.863281 MB of memory in use. ENERGY: 3660400 739.4851 2010.9697 1934.1332 106.0355 -206096.9523 17909.8683 0.0000 0.0000 34104.2427 -149292.2179 297.8408 -183396.4606 -149197.9621 299.1825 -46.0387 -12.6767 558959.1153 8.2905 8.0200 PRESSURE: 3660600 -17.026 50.6484 9.87057 50.6475 -127.24 -143.075 9.87055 -143.074 13.79 GPRESSURE: 3660600 36.4148 -7.63421 -4.86592 17.2616 -77.2134 -171.624 69.959 -6.57801 -0.681191 PRESSAVG: 3660600 -6.93079 7.31335 12.7823 7.31334 12.1728 -15.4887 12.7823 -15.4888 -20.4446 GPRESSAVG: 3660600 -6.8718 5.7362 12.0013 6.53769 12.5995 -15.5272 13.3775 -15.9299 -20.5775 TIMING: 3660600 CPU: 10607.5, 0.00286863/step Wall: 10607.5, 0.00286863/step, 1.06729 hours remaining, 210.863281 MB of memory in use. ENERGY: 3660600 754.0152 2037.2806 1948.8902 108.5807 -206233.9073 17721.1726 0.0000 0.0000 34367.2446 -149296.7234 300.1377 -183663.9680 -149200.6311 299.2585 -43.4922 -13.8266 557457.6975 -5.0675 -4.9499 PRESSURE: 3660800 -4.42082 6.39544 10.9362 6.39634 -153.4 -85.1753 10.9361 -85.1766 182.035 GPRESSURE: 3660800 78.9888 -36.0757 36.9808 47.1916 -182.7 -114.551 -30.2152 6.45908 235.456 PRESSAVG: 3660800 43.7939 35.3277 -12.5378 35.3277 -15.3566 -33.1701 -12.5378 -33.1701 -10.0473 GPRESSAVG: 3660800 43.0989 36.0932 -12.7061 35.6072 -15.7859 -32.4949 -10.8362 -34.3669 -9.69657 TIMING: 3660800 CPU: 10608.1, 0.00292348/step Wall: 10608.1, 0.00292348/step, 1.08753 hours remaining, 210.863281 MB of memory in use. ENERGY: 3660800 748.7074 2022.8831 1943.3846 116.9998 -206124.7593 17813.8685 0.0000 0.0000 34130.3605 -149348.5553 298.0689 -183478.9159 -149246.6250 299.0739 8.0715 43.9150 556895.0618 6.1300 5.8722 PRESSURE: 3661000 280.844 -182.497 48.5895 -182.497 47.3777 89.6825 48.5887 89.6832 96.0698 GPRESSURE: 3661000 321.378 -124.46 78.4489 -154.215 49.0937 113.188 -23.4271 119.355 140.314 PRESSAVG: 3661000 19.7979 -4.10742 34.0777 -4.10739 -44.3316 19.7048 34.0777 19.7047 3.12746 GPRESSAVG: 3661000 20.3257 -4.05547 32.6587 -4.25855 -45.158 19.4151 34.5859 21.9438 2.88524 TIMING: 3661000 CPU: 10608.6, 0.00290219/step Wall: 10608.6, 0.00290219/step, 1.07945 hours remaining, 210.863281 MB of memory in use. ENERGY: 3661000 733.8506 2081.4886 1916.4438 100.5491 -206324.3239 18040.2011 0.0000 0.0000 34096.9500 -149354.8406 297.7771 -183451.7906 -149265.0714 298.9771 141.4306 170.2616 556720.6373 -7.1354 -7.3157 PRESSURE: 3661200 122.305 121.651 -9.10278 121.651 -154.494 28.4868 -9.10209 28.4873 -142.654 GPRESSURE: 3661200 190.848 118.791 94.8441 93.1547 -147.421 96.2414 -84.2213 23.8542 -113.705 PRESSAVG: 3661200 13.3012 -37.3185 -17.962 -37.3185 11.2293 19.9651 -17.962 19.9651 -37.9403 GPRESSAVG: 3661200 14.0101 -36.5775 -15.2418 -38.7883 12.2205 17.4425 -20.4454 19.0693 -39.271 TIMING: 3661200 CPU: 10609.2, 0.00289152/step Wall: 10609.2, 0.00289152/step, 1.07532 hours remaining, 210.863281 MB of memory in use. ENERGY: 3661200 728.9553 2056.1421 1951.9221 112.9646 -206239.1496 17783.5796 0.0000 0.0000 34377.6883 -149227.8975 300.2289 -183605.5858 -149140.6331 299.0138 -58.2809 -23.4259 557346.9323 -4.4699 -4.3468 PRESSURE: 3661400 -132.113 2.93549 -34.1062 2.93548 -180.613 -13.4633 -34.1051 -13.4636 -11.4806 GPRESSURE: 3661400 -119.076 17.1278 -72.5744 6.10401 -124.455 -28.9791 13.9557 -23.0643 10.7549 PRESSAVG: 3661400 34.8066 34.4953 18.5666 34.4952 19.1466 14.8213 18.5667 14.8212 -29.8708 GPRESSAVG: 3661400 34.4191 32.4373 17.2088 36.4772 19.8961 15.0372 21.4418 15.464 -30.0937 TIMING: 3661400 CPU: 10609.8, 0.00290449/step Wall: 10609.8, 0.00290449/step, 1.07999 hours remaining, 210.863281 MB of memory in use. ENERGY: 3661400 742.8938 2110.7055 1931.5652 108.5351 -205907.8992 17550.7549 0.0000 0.0000 34156.3919 -149307.0527 298.2963 -183463.4446 -149210.1901 298.6152 -108.0689 -77.5919 559200.8462 8.0275 8.0738 PRESSURE: 3661600 -12.4182 -5.26118 -26.4239 -5.26149 152.459 55.0804 -26.4241 55.0807 351.16 GPRESSURE: 3661600 46.3082 -39.0697 -72.8082 93.619 165.678 52.9772 19.224 33.0342 372.465 PRESSAVG: 3661600 -88.5045 -39.6322 15.9871 -39.6323 9.08392 57.6546 15.9871 57.6544 102.49 GPRESSAVG: 3661600 -88.1976 -40.3163 16.4647 -39.433 8.71864 58.0464 13.8505 56.6065 103.24 TIMING: 3661600 CPU: 10610.4, 0.00289687/step Wall: 10610.4, 0.00289687/step, 1.07699 hours remaining, 210.863281 MB of memory in use. ENERGY: 3661600 728.2467 2060.7320 1910.3710 121.2899 -206620.0487 18053.0834 0.0000 0.0000 34230.4292 -149515.8965 298.9429 -183746.3257 -149426.5260 298.8717 163.7335 194.8169 558665.0778 7.6897 7.9205 PRESSURE: 3661800 81.8036 242.498 -20.9167 242.499 263.642 74.5748 -20.9166 74.5757 210.364 GPRESSURE: 3661800 130.057 187 69.1989 256.433 306.323 83.7222 -11.1992 33.7384 209.595 PRESSAVG: 3661800 -22.2974 -69.0431 -5.40344 -69.0431 2.92787 -4.09171 -5.4034 -4.09168 13.2025 GPRESSAVG: 3661800 -21.6369 -68.429 -6.42717 -70.1994 2.60874 -4.73548 -6.92593 -2.0181 13.4752 TIMING: 3661800 CPU: 10611, 0.00290443/step Wall: 10611, 0.00290443/step, 1.07964 hours remaining, 210.863281 MB of memory in use. ENERGY: 3661800 715.5465 2016.8277 1925.4095 120.0291 -206949.1180 18343.7552 0.0000 0.0000 34104.1997 -149723.3503 297.8405 -183827.5499 -149619.4979 298.2593 185.2699 215.3250 558514.5493 -2.0557 -1.8510 PRESSURE: 3662000 62.1747 -231.926 -61.7143 -231.927 114.026 -27.5195 -61.7147 -27.5214 335.912 GPRESSURE: 3662000 140.315 -247.32 -53.2819 -277.202 186.315 -46.4187 -24.4676 -79.9707 287.956 PRESSAVG: 3662000 35.8144 -49.3648 22.2975 -49.3648 -12.3704 -42.3311 22.2974 -42.331 5.74043 GPRESSAVG: 3662000 36.2041 -49.3126 20.7611 -47.9132 -11.5477 -41.9565 25.2914 -44.6128 5.11531 TIMING: 3662000 CPU: 10611.5, 0.00289233/step Wall: 10611.5, 0.00289233/step, 1.07498 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3662000 728.4821 2091.8053 1935.9188 98.4783 -207103.3818 18325.0614 0.0000 0.0000 34129.0897 -149794.5462 298.0578 -183923.6359 -149702.8211 297.9420 170.7039 204.8618 557881.1935 9.7281 9.9239 PRESSURE: 3662200 -143.049 -33.6993 7.99082 -33.698 -155.831 -8.82738 7.99128 -8.82739 -280.403 GPRESSURE: 3662200 -91.3577 -74.2021 28.8611 -71.3882 -159.884 -55.8423 3.49453 35.2803 -234.635 PRESSAVG: 3662200 93.1681 -30.3148 -4.99002 -30.3149 -68.8202 -26.3046 -4.99006 -26.3047 -49.9194 GPRESSAVG: 3662200 92.6927 -31.4509 -3.49508 -29.1564 -69.4974 -25.2514 -5.60436 -25.7277 -48.8601 TIMING: 3662200 CPU: 10612.1, 0.00287525/step Wall: 10612.1, 0.00287525/step, 1.06847 hours remaining, 210.863281 MB of memory in use. ENERGY: 3662200 706.5490 2033.3727 1932.3920 111.6552 -206151.9963 17531.1294 0.0000 0.0000 34079.9688 -149756.9293 297.6288 -183836.8980 -149657.8012 297.2620 -193.0946 -161.9590 557853.9940 -8.5239 -8.5549 PRESSURE: 3662400 -216.6 8.33581 -96.9808 8.33602 -227.477 88.3943 -96.9804 88.3943 -392.075 GPRESSURE: 3662400 -175.1 64.6099 -70.9546 -7.58038 -194.352 43.6881 -73.2459 62.079 -364.695 PRESSAVG: 3662400 11.4739 -16.2169 -63.3304 -16.217 -12.6236 -14.1933 -63.3303 -14.1934 -17.4974 GPRESSAVG: 3662400 12.2293 -13.8069 -64.1875 -16.9152 -13.3381 -16.5824 -63.8017 -13.3142 -17.5747 TIMING: 3662400 CPU: 10612.7, 0.00289856/step Wall: 10612.7, 0.00289856/step, 1.07697 hours remaining, 210.863281 MB of memory in use. ENERGY: 3662400 765.2233 2063.7793 1943.2082 106.4603 -206629.1901 17650.6755 0.0000 0.0000 34275.9134 -149823.9301 299.3401 -184099.8435 -149718.1351 297.4756 -278.7172 -244.7158 556719.1099 -6.2157 -6.2278 PRESSURE: 3662600 3.85669 56.0656 119.405 56.0655 19.6627 -127.119 119.403 -127.12 -2.62566 GPRESSURE: 3662600 34.1365 28.5261 162.277 73.0907 62.2302 -94.3285 57.5322 -110.584 35.6926 PRESSAVG: 3662600 19.0273 -5.27053 50.4629 -5.27046 -40.2202 5.40542 50.4629 5.40536 38.1277 GPRESSAVG: 3662600 17.9734 -5.36324 49.8344 -5.91159 -38.3163 5.7318 51.9099 6.01561 36.8973 TIMING: 3662600 CPU: 10613.3, 0.00288429/step Wall: 10613.3, 0.00288429/step, 1.07151 hours remaining, 210.863281 MB of memory in use. ENERGY: 3662600 720.4046 2087.5104 1929.9887 114.0962 -206923.2319 18103.1948 0.0000 0.0000 34250.1574 -149717.8798 299.1151 -183968.0372 -149625.9171 297.9194 6.9646 44.0198 557114.2155 5.6449 5.5181 PRESSURE: 3662800 -55.8259 -109.871 125.007 -109.87 -72.4496 -51.3645 125.008 -51.3655 13.4111 GPRESSURE: 3662800 -54.5383 -55.0798 136.853 -97.9379 -37.4629 -113.786 155.215 -103.485 67.0864 PRESSAVG: 3662800 35.0641 -0.234534 35.4386 -0.234584 8.35827 22.4649 35.4386 22.465 14.8709 GPRESSAVG: 3662800 34.9041 -1.13013 36.2688 -1.62681 7.70639 23.6603 35.0258 23.4905 15.7132 TIMING: 3662800 CPU: 10613.8, 0.00285889/step Wall: 10613.8, 0.00285889/step, 1.06192 hours remaining, 210.863281 MB of memory in use. ENERGY: 3662800 763.5107 2069.1077 1949.1796 107.3958 -206551.0592 17889.0643 0.0000 0.0000 34134.2439 -149638.5573 298.1028 -183772.8012 -149546.3653 298.8954 -38.2882 -8.3049 557566.9661 19.4311 19.4412 PRESSURE: 3663000 -76.8097 94.3649 -14.9943 94.3625 -142.313 -67.0321 -14.9945 -67.0322 73.385 GPRESSURE: 3663000 -49.7219 109.084 -23.2659 93.1014 -107.368 -51.6948 52.0672 -100.968 110.372 PRESSAVG: 3663000 44.1488 -11.684 -6.87442 -11.684 13.7444 24.5743 -6.87451 24.5741 -5.91571 GPRESSAVG: 3663000 44.2501 -12.8961 -5.71796 -9.88855 13.8361 23.5294 -7.98449 23.1817 -5.82838 TIMING: 3663000 CPU: 10614.4, 0.0028626/step Wall: 10614.4, 0.0028626/step, 1.06314 hours remaining, 210.863281 MB of memory in use. ENERGY: 3663000 724.5903 2098.6130 1943.4827 116.7383 -206249.2900 17653.3670 0.0000 0.0000 34211.4009 -149501.0977 298.7767 -183712.4986 -149403.0672 298.7052 -48.5793 -15.5725 556497.7110 17.3258 17.4193 PRESSURE: 3663200 409.141 10.607 0.799414 10.6066 70.7854 -17.2857 0.800102 -17.2871 75.4457 GPRESSURE: 3663200 460.004 -105.241 14.0244 37.1539 119.654 -19.8356 -47.4585 22.3681 86.7452 PRESSAVG: 3663200 60.359 -31.4387 40.5648 -31.4386 -25.9983 35.1741 40.5649 35.1741 14.1741 GPRESSAVG: 3663200 60.9621 -28.9322 38.2929 -33.4181 -26.3425 35.0861 42.3755 35.7942 14.3412 TIMING: 3663200 CPU: 10615, 0.00290069/step Wall: 10615, 0.00290069/step, 1.07712 hours remaining, 210.863281 MB of memory in use. ENERGY: 3663200 737.7171 2116.9982 1961.8864 109.1293 -206690.4836 18136.3765 0.0000 0.0000 34151.2367 -149477.1392 298.2512 -183628.3759 -149381.3781 298.3341 185.1242 222.1342 555326.2982 16.1783 16.3203 PRESSURE: 3663400 60.1857 -66.7566 -190.583 -66.7552 73.3992 -52.6986 -190.581 -52.6994 -1.33503 GPRESSURE: 3663400 98.9939 -59.8665 -174.248 -65.9671 105.453 -97.2399 -213.433 -61.5018 27.0256 PRESSAVG: 3663400 24.1376 9.44685 15.7856 9.44683 -47.1113 -34.2277 15.7856 -34.2278 4.24513 GPRESSAVG: 3663400 23.705 8.41341 17.6157 10.6102 -47.1388 -31.942 14.1896 -35.095 4.6211 TIMING: 3663400 CPU: 10615.6, 0.00287866/step Wall: 10615.6, 0.00287866/step, 1.06878 hours remaining, 210.863281 MB of memory in use. ENERGY: 3663400 743.9931 2056.0751 1913.2306 112.2469 -206586.3803 18154.3789 0.0000 0.0000 34320.6859 -149285.7698 299.7311 -183606.4557 -149185.9614 299.4191 44.0833 77.1576 557984.5706 -6.2429 -6.2709 PRESSURE: 3663600 -260.156 -6.5258 -25.5372 -6.52725 353.176 39.0031 -25.5363 39.0025 -73.9089 GPRESSURE: 3663600 -173.974 8.92474 -101.866 -52.3085 357.933 21.2385 45.1168 -39.9677 -60.2322 PRESSAVG: 3663600 22.8706 23.5967 5.27791 23.5968 15.7108 -17.5947 5.27789 -17.5948 39.2992 GPRESSAVG: 3663600 22.61 24.2431 6.10192 24.4699 16.1182 -18.1354 6.67045 -18.2423 39.4186 TIMING: 3663600 CPU: 10616.1, 0.00286666/step Wall: 10616.1, 0.00286666/step, 1.06417 hours remaining, 210.863281 MB of memory in use. ENERGY: 3663600 752.9388 2098.0570 1927.4723 119.6056 -206222.9111 17897.9980 0.0000 0.0000 34283.8428 -149142.9966 299.4093 -183426.8394 -149047.1434 299.5551 6.3706 41.2424 557931.9371 25.9602 26.0489 PRESSURE: 3663800 96.2776 -15.8627 -21.5449 -15.8619 102.983 -11.7147 -21.5444 -11.7158 161.152 GPRESSURE: 3663800 169.652 -88.284 -51.6598 -7.3767 117.705 -2.78067 -64.9666 15.3771 165.254 PRESSAVG: 3663800 -16.0693 -88.9966 -33.8258 -88.9966 2.90988 -5.94274 -33.8258 -5.94255 -38.7007 GPRESSAVG: 3663800 -15.0634 -89.7543 -34.0153 -88.5193 2.05584 -6.26691 -33.3576 -4.2927 -39.3132 TIMING: 3663800 CPU: 10616.7, 0.00288462/step Wall: 10616.7, 0.00288462/step, 1.07068 hours remaining, 210.863281 MB of memory in use. ENERGY: 3663800 747.1192 2075.8994 1935.6419 107.8823 -206157.0019 17864.0858 0.0000 0.0000 34339.5485 -149086.8249 299.8958 -183426.3733 -148990.0171 299.1032 120.1374 150.8702 557250.2579 -17.2867 -17.4402 PRESSURE: 3664000 -119.018 179.071 -222.523 179.072 -125.788 45.7521 -222.523 45.7518 -291.68 GPRESSURE: 3664000 -64.7207 253.522 -181.611 125.513 -69.5243 81.6167 -174.253 19.5568 -304.326 PRESSAVG: 3664000 57.2686 -38.6338 -39.7101 -38.6337 -13.9578 33.9742 -39.71 33.9741 6.12813 GPRESSAVG: 3664000 56.0297 -37.6402 -38.4105 -40.005 -13.4675 33.7262 -43.1943 32.6469 6.48702 TIMING: 3664000 CPU: 10617.3, 0.00289138/step Wall: 10617.3, 0.00289138/step, 1.07302 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3664000 778.4291 2056.3128 1933.5338 113.2561 -206117.2561 17656.6983 0.0000 0.0000 34358.3390 -149220.6870 300.0599 -183579.0260 -149121.2851 299.4176 -178.8287 -146.1904 558605.3173 16.4796 16.3497 PRESSURE: 3664200 -149.48 -157.717 68.9096 -157.718 -203.322 56.7426 68.9088 56.7423 -249.578 GPRESSURE: 3664200 -141.151 -109.378 -13.8888 -161.074 -137.735 40.3821 114.184 26.87 -228.2 PRESSAVG: 3664200 14.8756 44.7824 0.933697 44.7826 -15.1609 -14.0588 0.933739 -14.0588 -2.81731 GPRESSAVG: 3664200 14.7771 43.8307 -0.855112 45.1963 -14.5318 -12.9832 3.38833 -11.9021 -3.11262 TIMING: 3664200 CPU: 10617.9, 0.00288075/step Wall: 10617.9, 0.00288075/step, 1.06892 hours remaining, 210.863281 MB of memory in use. ENERGY: 3664200 754.1915 2077.1398 1943.7693 110.0417 -205966.0745 17520.9808 0.0000 0.0000 34405.8631 -149154.0883 300.4750 -183559.9514 -149053.6851 299.2965 -200.7935 -169.0288 558191.6289 -1.0342 -0.9558 LDB: ============= START OF LOAD BALANCING ============== 10621.3 LDB: ============== END OF LOAD BALANCING =============== 10621.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10621.3 LDB: ============= START OF LOAD BALANCING ============== 10621.5 LDB: Largest compute 4792 load 0.024838 is 21.0% of average load 0.118032 LDB: Average compute 0.001727 is 1.5% of average load 0.118032 LDB: TIME 10621.5 LOAD: AVG 0.118032 MAX 0.179546 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.176 MB LDB: TIME 10621.5 LOAD: AVG 0.118032 MAX 0.179546 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.176 MB LDB: TIME 10621.5 LOAD: AVG 0.118032 MAX 0.179546 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10621.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10621.6 PRESSURE: 3664400 140.291 -43.9121 90.9646 -43.9121 335.217 156.545 90.9642 156.546 1.32483 GPRESSURE: 3664400 271.126 -58.4799 15.457 -76.968 287.747 163.98 99.3947 77.4343 15.3159 PRESSAVG: 3664400 -14.1443 4.40358 -15.5693 4.40355 2.62736 -22.1696 -15.5693 -22.1698 -21.3734 GPRESSAVG: 3664400 -12.5252 3.48964 -17.9949 6.27809 1.27837 -24.0049 -16.382 -22.7535 -21.4414 TIMING: 3664400 CPU: 10618.5, 0.00293367/step Wall: 10618.5, 0.00293367/step, 1.08839 hours remaining, 211.230469 MB of memory in use. ENERGY: 3664400 710.9895 2050.6276 1931.3822 120.5794 -206169.8076 17953.6832 0.0000 0.0000 34327.3267 -149075.2190 299.7891 -183402.5457 -148977.7939 298.6572 158.9443 191.3962 556779.3635 -10.9634 -10.8961 PRESSURE: 3664600 -152.707 -86.8577 -147.196 -86.858 -50.0447 -11.6615 -147.196 -11.6594 142.026 GPRESSURE: 3664600 -100.354 -105.988 -147.471 -138.581 -30.2883 26.5507 -66.9518 34.836 176.537 PRESSAVG: 3664600 -10.2147 14.6605 48.2061 14.6605 21.511 12.7977 48.2061 12.7977 27.0701 GPRESSAVG: 3664600 -10.803 15.2612 51.0349 12.1037 20.574 14.1938 49.0894 12.4419 27.7804 TIMING: 3664600 CPU: 10619, 0.00287713/step Wall: 10619, 0.00287713/step, 1.06726 hours remaining, 211.433594 MB of memory in use. ENERGY: 3664600 716.1617 2089.2565 1952.6657 105.0851 -205985.7857 17582.7143 0.0000 0.0000 34561.9459 -148977.9566 301.8381 -183539.9025 -148878.8081 299.8931 -20.2418 15.2981 556596.6578 12.7888 12.5171 PRESSURE: 3664800 59.3273 -66.5798 -105.148 -66.579 8.24481 119.184 -105.148 119.185 220.465 GPRESSURE: 3664800 86.7769 -98.8039 -57.4369 -98.0624 25.711 115.89 -160.199 150.579 267.191 PRESSAVG: 3664800 -0.0407649 23.9641 -31.4035 23.9641 -85.209 44.1488 -31.4035 44.1489 63.5092 GPRESSAVG: 3664800 -1.16651 25.3557 -31.6438 24.8159 -83.9319 43.0118 -31.5726 46.6484 62.9443 TIMING: 3664800 CPU: 10619.6, 0.00287142/step Wall: 10619.6, 0.00287142/step, 1.06498 hours remaining, 211.574219 MB of memory in use. ENERGY: 3664800 771.1744 2096.3697 1919.5358 120.1671 -206164.7560 17901.6328 0.0000 0.0000 34211.8734 -149144.0028 298.7808 -183355.8762 -149045.4755 299.7157 96.0124 126.5597 558123.6643 -7.2469 -7.3847 PRESSURE: 3665000 377.384 -191.947 173.551 -191.947 -187.242 113.924 173.55 113.922 299.633 GPRESSURE: 3665000 390.794 -192.674 133.892 -266.124 -136.393 141.657 166.974 49.3294 329.048 PRESSAVG: 3665000 79.6269 -45.8618 -8.94024 -45.8619 -67.8472 21.705 -8.94029 21.7049 17.0483 GPRESSAVG: 3665000 79.4467 -47.731 -8.80606 -47.0703 -67.018 21.8629 -7.63795 19.1129 16.8765 TIMING: 3665000 CPU: 10620.2, 0.00288806/step Wall: 10620.2, 0.00288806/step, 1.07099 hours remaining, 211.574219 MB of memory in use. ENERGY: 3665000 704.2678 2114.7471 1944.5147 108.2989 -206332.1576 18002.4998 0.0000 0.0000 34399.2265 -149058.6027 300.4170 -183457.8292 -148952.2947 299.5309 163.2582 194.4831 557645.4348 9.6094 9.7684 PRESSURE: 3665200 39.8121 -113.224 133.866 -113.222 5.1807 19.3689 133.864 19.3679 -4.52912 GPRESSURE: 3665200 68.5214 -120.277 74.6071 -123.813 46.4869 -116.646 134.326 47.2699 23.7022 PRESSAVG: 3665200 -16.7851 -64.2212 75.1273 -64.2211 -48.1372 -4.06339 75.1273 -4.06334 34.1529 GPRESSAVG: 3665200 -17.934 -64.967 74.1348 -63.4216 -47.9189 -4.16094 74.8814 -2.98398 34.8045 TIMING: 3665200 CPU: 10620.8, 0.00287374/step Wall: 10620.8, 0.00287374/step, 1.06552 hours remaining, 211.574219 MB of memory in use. ENERGY: 3665200 789.9562 2064.7469 1920.8771 115.9311 -206368.2187 18014.4364 0.0000 0.0000 34405.8382 -149056.4328 300.4747 -183462.2710 -148957.8651 299.4921 13.4879 46.2369 557434.8677 -10.2564 -10.3495 PRESSURE: 3665400 -55.8821 -84.1053 -7.81671 -84.1039 17.309 104.983 -7.81559 104.981 257.939 GPRESSURE: 3665400 7.94901 -33.722 -75.0535 -135.889 40.9868 141.171 57.6063 130.603 269.807 PRESSAVG: 3665400 33.3247 -39.8355 19.0028 -39.8355 5.673 11.4563 19.0028 11.4563 -24.7135 GPRESSAVG: 3665400 35.0216 -38.4481 18.7389 -40.4692 5.47667 10.7703 17.6824 9.49806 -26.0593 TIMING: 3665400 CPU: 10621.3, 0.00287736/step Wall: 10621.3, 0.00287735/step, 1.0667 hours remaining, 211.574219 MB of memory in use. ENERGY: 3665400 752.6403 2159.6759 1950.9741 112.9088 -206462.4355 18119.4380 0.0000 0.0000 34457.3563 -148909.4422 300.9247 -183366.7985 -148815.3723 299.7442 73.1221 106.2475 558003.2543 4.7614 4.8130 PRESSURE: 3665600 -197.711 195.654 -162.703 195.654 -55.7597 77.4148 -162.704 77.4152 -89.1009 GPRESSURE: 3665600 -146.787 163.999 -185.747 140.776 -62.4144 35.454 -158.168 55.406 -58.8425 PRESSAVG: 3665600 -49.2847 58.0802 -11.3037 58.0802 29.0903 -38.4309 -11.3038 -38.431 -12.5522 GPRESSAVG: 3665600 -49.9621 56.9313 -10.7838 57.7754 29.2232 -37.775 -10.5641 -37.5409 -12.1243 TIMING: 3665600 CPU: 10621.9, 0.00288923/step Wall: 10621.9, 0.00288923/step, 1.07094 hours remaining, 211.574219 MB of memory in use. ENERGY: 3665600 736.3682 2064.2710 1947.8009 111.5877 -205892.7722 17739.4795 0.0000 0.0000 34185.5138 -149107.7512 298.5506 -183293.2650 -149011.9689 299.7310 -114.1905 -89.3478 558827.1439 -10.9155 -10.9544 PRESSURE: 3665800 -71.4775 -121.622 -14.8308 -121.623 -7.03792 -133.544 -14.8306 -133.544 -61.2597 GPRESSURE: 3665800 -63.3173 -65.5432 -38.26 -161.45 29.1934 -162.684 -51.1009 -66.7531 -8.29866 PRESSAVG: 3665800 -76.6977 47.9748 -65.2314 47.9747 11.491 -69.4893 -65.2314 -69.4893 82.2946 GPRESSAVG: 3665800 -76.1507 48.3953 -63.6442 49.6367 10.6895 -69.2177 -66.6069 -70.2236 82.2157 TIMING: 3665800 CPU: 10622.5, 0.00287257/step Wall: 10622.5, 0.00287257/step, 1.06461 hours remaining, 211.574219 MB of memory in use. ENERGY: 3665800 776.3544 2101.1072 1941.2122 109.0932 -206412.5570 17939.2358 0.0000 0.0000 34363.3335 -149182.2205 300.1035 -183545.5541 -149080.1679 299.7361 -46.5917 -14.1408 558679.0464 5.6959 5.5849 PRESSURE: 3666000 -200.634 -17.8204 20.621 -17.8213 -138.141 -126.511 20.6197 -126.512 13.8652 GPRESSURE: 3666000 -148.051 -109.003 35.9495 -3.26617 -91.1918 -147.979 1.27313 -115.576 19.3571 PRESSAVG: 3666000 -75.2063 -42.3031 -2.68835 -42.3031 -39.6333 -55.0085 -2.68833 -55.0085 79.5039 GPRESSAVG: 3666000 -75.9959 -41.6162 -3.1214 -42.5075 -39.9969 -54.9397 -2.29342 -55.7428 80.5229 TIMING: 3666000 CPU: 10623.1, 0.00286177/step Wall: 10623.1, 0.00286177/step, 1.06044 hours remaining, 211.574219 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: 3666000 759.3164 2137.3217 1927.9651 119.0495 -206032.7364 17683.3017 0.0000 0.0000 34410.8114 -148994.9705 300.5182 -183405.7819 -148909.0982 299.8572 -108.3035 -73.2952 559221.0957 -11.7786 -11.8233 PRESSURE: 3666200 -191.999 69.9196 -105.783 69.92 -208.749 149.03 -105.782 149.03 -460.143 GPRESSURE: 3666200 -126.483 73.2443 -1.26871 45.8179 -164.856 88.8248 -225.523 151.641 -456.19 PRESSAVG: 3666200 38.898 7.25541 10.603 7.25543 19.7124 15.1685 10.6031 15.1685 -11.404 GPRESSAVG: 3666200 39.8822 8.89972 11.2854 5.91281 20.2077 14.8085 10.1692 16.0594 -12.792 TIMING: 3666200 CPU: 10623.6, 0.00286815/step Wall: 10623.6, 0.00286815/step, 1.06265 hours remaining, 211.574219 MB of memory in use. ENERGY: 3666200 787.0970 2087.1328 1939.4367 107.7477 -205682.3319 17546.3903 0.0000 0.0000 34342.5449 -148871.9824 299.9220 -183214.5273 -148783.5437 300.0494 -286.9637 -249.1766 559861.1684 15.7355 15.7660 PRESSURE: 3666400 43.9775 171.343 237.959 171.342 23.0267 190.662 237.96 190.662 -45.4104 GPRESSURE: 3666400 76.015 56.225 268.643 120.31 2.92079 309.628 142.536 93.7233 53.5208 PRESSAVG: 3666400 29.9246 22.7682 6.89851 22.7681 34.2965 15.5235 6.8985 15.5236 -25.3882 GPRESSAVG: 3666400 30.2217 21.1283 4.28655 22.6784 32.8017 16.1701 7.18205 15.0028 -24.1894 TIMING: 3666400 CPU: 10624.2, 0.00286672/step Wall: 10624.2, 0.00286672/step, 1.06196 hours remaining, 211.574219 MB of memory in use. ENERGY: 3666400 747.5485 2078.4647 1961.1525 104.7937 -206146.6924 17918.5863 0.0000 0.0000 34387.4774 -148948.6693 300.3144 -183336.1466 -148847.7082 300.0487 7.1979 44.1522 558618.9798 12.9443 12.9447 PRESSURE: 3666600 -116.744 116.951 6.8387 116.95 223.99 -31.672 6.83945 -31.6725 23.3177 GPRESSURE: 3666600 -61.5464 80.3735 17.8544 180.212 246.337 -52.5913 15.3305 -78.1048 32.9784 PRESSAVG: 3666600 11.828 -9.64014 12.9126 -9.64002 -36.9412 30.0907 12.9126 30.0906 62.4481 GPRESSAVG: 3666600 11.9879 -9.65089 14.5428 -8.39257 -36.4534 28.8914 14.2785 33.0152 61.5659 TIMING: 3666600 CPU: 10624.8, 0.00287491/step Wall: 10624.8, 0.00287491/step, 1.06484 hours remaining, 211.574219 MB of memory in use. ENERGY: 3666600 761.4401 2163.6984 1950.3655 107.8654 -205956.7288 17842.9985 0.0000 0.0000 34200.1162 -148930.2446 298.6781 -183130.3609 -148838.0119 299.8808 43.5213 72.5897 557673.1926 12.4450 12.3668 PRESSURE: 3666800 -161.483 20.8351 -103.107 20.8354 -3.43552 -65.8674 -103.108 -65.866 134.341 GPRESSURE: 3666800 -145.474 -76.8991 -70.8294 6.34865 3.25352 -27.1329 -141.349 -47.986 219.823 PRESSAVG: 3666800 -4.95727 -1.62582 36.3809 -1.62587 -39.3275 39.1155 36.3809 39.1154 80.8119 GPRESSAVG: 3666800 -6.31692 -1.70911 37.1107 -1.13726 -37.7905 41.4064 34.9728 34.2721 80.755 TIMING: 3666800 CPU: 10625.4, 0.00285914/step Wall: 10625.4, 0.00285914/step, 1.05883 hours remaining, 211.574219 MB of memory in use. ENERGY: 3666800 774.2824 2109.9735 1975.5698 112.1750 -206373.1012 17982.9124 0.0000 0.0000 34205.6654 -149212.5227 298.7266 -183418.1882 -149117.5354 299.1661 -10.1924 25.8675 557475.4501 12.1757 12.2159 PRESSURE: 3667000 -3.33203 -18.5278 -39.4495 -18.528 -97.2081 -56.8678 -39.4501 -56.8679 -80.4276 GPRESSURE: 3667000 90.3661 4.77651 -30.25 -62.8512 -122.014 7.79791 -36.2959 -46.9113 -47.3161 PRESSAVG: 3667000 -38.7666 -34.5542 -2.92251 -34.5542 -47.7907 -28.8367 -2.92258 -28.8367 103.248 GPRESSAVG: 3667000 -37.8361 -34.3895 -2.375 -35.5252 -48.7237 -28.7709 -3.4483 -27.3664 103.489 TIMING: 3667000 CPU: 10625.9, 0.00287205/step Wall: 10625.9, 0.00287205/step, 1.06346 hours remaining, 211.574219 MB of memory in use. ENERGY: 3667000 716.4458 2068.0867 1919.4710 112.0230 -206046.0647 17753.6619 0.0000 0.0000 34314.8035 -149161.5730 299.6797 -183476.3764 -149058.1403 298.7063 -60.3226 -26.3212 557836.5119 5.5634 5.6429 PRESSURE: 3667200 20.9827 14.0195 -191.955 14.0193 -66.8334 24.8455 -191.956 24.8463 336.15 GPRESSURE: 3667200 22.1978 10.1995 -196.537 2.95822 19.0216 51.5217 -170.794 14.3289 345.678 PRESSAVG: 3667200 9.08133 -29.8641 -64.2114 -29.8642 -35.4024 -24.0752 -64.2115 -24.0752 44.1721 GPRESSAVG: 3667200 8.01222 -30.2035 -66.391 -29.8269 -34.2362 -25.3988 -62.2927 -22.7963 44.3113 TIMING: 3667200 CPU: 10626.5, 0.00287893/step Wall: 10626.5, 0.00287893/step, 1.06584 hours remaining, 211.574219 MB of memory in use. ENERGY: 3667200 742.9010 2100.4256 1954.8344 103.2393 -206081.4676 17945.6570 0.0000 0.0000 34219.5981 -149014.8122 298.8483 -183234.4103 -148918.9878 299.3928 96.7665 128.9657 556723.2976 5.9504 6.0291 PRESSURE: 3667400 -271.048 1.06188 -45.2374 1.06134 -104.249 96.872 -45.2376 96.8711 -144.153 GPRESSURE: 3667400 -245.933 -51.489 -36.2703 -42.4712 -37.6953 41.6344 14.5723 99.362 -145.347 PRESSAVG: 3667400 19.4223 8.86146 19.6719 8.86139 -65.8339 42.4227 19.672 42.4228 30.894 GPRESSAVG: 3667400 20.2993 7.32603 20.4607 9.59686 -64.8076 44.3021 18.9874 42.021 29.3996 TIMING: 3667400 CPU: 10627.1, 0.0028802/step Wall: 10627.1, 0.0028802/step, 1.06615 hours remaining, 211.574219 MB of memory in use. ENERGY: 3667400 751.5041 2088.0036 1960.4639 108.6069 -206103.4272 17695.7388 0.0000 0.0000 34591.1332 -148907.9767 302.0930 -183499.1098 -148809.3019 300.0760 -173.1499 -142.9915 558205.0861 -5.1725 -5.0362 PRESSURE: 3667600 10.0478 262.48 -84.297 262.478 -131.94 -62.8791 -84.2964 -62.8793 -157.522 GPRESSURE: 3667600 11.2159 324.442 -105.881 218.048 -110.284 -29.1268 -84.512 -15.1233 -84.03 PRESSAVG: 3667600 -22.8024 66.1643 22.2633 66.1642 17.2244 5.29457 22.2632 5.29458 36.2985 GPRESSAVG: 3667600 -23.2434 69.1277 20.0347 65.3883 16.7595 3.77101 23.4627 4.09051 37.3998 TIMING: 3667600 CPU: 10627.7, 0.00288674/step Wall: 10627.7, 0.00288674/step, 1.06842 hours remaining, 211.574219 MB of memory in use. ENERGY: 3667600 717.2894 2075.6239 1963.3175 112.0191 -205533.6826 17491.8405 0.0000 0.0000 34284.7757 -148888.8164 299.4175 -183173.5921 -148783.2065 300.1634 -93.1381 -61.0327 559476.0976 10.2402 10.3053 PRESSURE: 3667800 63.0628 -65.925 -34.4823 -65.9255 -87.9009 218.449 -34.4822 218.451 115.457 GPRESSURE: 3667800 65.0683 -167.885 -14.0519 -30.3576 -50.6298 212.995 -52.4671 215.267 158.832 PRESSAVG: 3667800 -57.3026 63.7711 -1.27473 63.771 8.25191 48.307 -1.27476 48.3072 19.7577 GPRESSAVG: 3667800 -58.8299 61.3198 0.324284 64.4988 8.72612 46.5119 -1.98549 50.0435 20.2922 TIMING: 3667800 CPU: 10628.2, 0.00287451/step Wall: 10628.2, 0.00287451/step, 1.06373 hours remaining, 211.777344 MB of memory in use. ENERGY: 3667800 748.7946 2081.8406 1956.2302 90.8555 -206024.1677 17777.6055 0.0000 0.0000 34502.9006 -148865.9407 301.3224 -183368.8413 -148774.0538 300.1276 30.2065 57.7569 558611.2374 -9.7643 -9.9372 PRESSURE: 3668000 77.5859 43.2741 -168.858 43.2744 62.3468 42.5263 -168.858 42.5256 116.951 GPRESSURE: 3668000 117.746 14.0258 -207.109 112.767 64.1168 10.0784 -122.677 115.403 181.939 PRESSAVG: 3668000 -39.2197 59.3924 -6.51012 59.3924 -36.0558 41.7961 -6.5101 41.796 85.9721 GPRESSAVG: 3668000 -36.8142 60.3562 -7.73766 56.8056 -37.4286 44.7573 -6.10557 39.7009 85.3529 TIMING: 3668000 CPU: 10628.8, 0.00287985/step Wall: 10628.8, 0.00287985/step, 1.06554 hours remaining, 211.777344 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: 3668000 754.5997 2069.5742 1965.0024 103.3101 -206317.7253 17994.4511 0.0000 0.0000 34463.1041 -148967.6837 300.9749 -183430.7878 -148873.4179 300.2131 85.6278 121.2672 556247.0685 3.5655 3.7034 PRESSURE: 3668200 276.366 105.721 152.967 105.721 174.816 -3.90086 152.97 -3.9003 -5.9683 GPRESSURE: 3668200 383.759 153.334 107.11 53.6354 163.5 -10.8281 122.238 44.7456 15.5049 PRESSAVG: 3668200 52.6692 32.8857 -49.5511 32.8857 -47.6932 64.5169 -49.551 64.5168 -9.80661 GPRESSAVG: 3668200 52.7315 34.4451 -46.9665 34.0614 -47.4479 63.0457 -49.9788 65.1771 -10.2176 TIMING: 3668200 CPU: 10629.4, 0.00288478/step Wall: 10629.4, 0.00288478/step, 1.06721 hours remaining, 211.777344 MB of memory in use. ENERGY: 3668200 725.3074 2097.6372 1931.2400 104.3495 -206452.6785 18111.1862 0.0000 0.0000 34376.5132 -149106.4451 300.2186 -183482.9583 -149008.2061 299.7393 148.4045 187.5878 556726.4564 -1.6102 -1.6447 LDB: ============= START OF LOAD BALANCING ============== 10632.8 LDB: ============== END OF LOAD BALANCING =============== 10632.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10632.8 LDB: ============= START OF LOAD BALANCING ============== 10633.1 LDB: Largest compute 4792 load 0.025537 is 21.6% of average load 0.117988 LDB: Average compute 0.001725 is 1.5% of average load 0.117988 LDB: TIME 10633.1 LOAD: AVG 0.117988 MAX 0.179071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 10633.1 LOAD: AVG 0.117988 MAX 0.179071 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 10633.1 LOAD: AVG 0.117988 MAX 0.179071 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10633.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10633.1 PRESSURE: 3668400 184.069 -6.34213 23.1124 -6.34255 -139.355 89.2968 23.1129 89.2978 -47.3861 GPRESSURE: 3668400 205.669 -27.0192 51.0854 17.6018 -137.275 160.798 33.2107 89.4271 17.6632 PRESSAVG: 3668400 46.8809 17.9143 -27.3354 17.9144 -22.9531 -0.0843854 -27.3355 -0.0843873 -5.8539 GPRESSAVG: 3668400 45.546 16.3943 -28.1652 19.0231 -22.4752 0.878405 -28.429 2.25266 -4.61089 TIMING: 3668400 CPU: 10630, 0.0029246/step Wall: 10630, 0.0029246/step, 1.08178 hours remaining, 210.351562 MB of memory in use. ENERGY: 3668400 718.4039 2092.4162 1969.2746 114.5283 -206115.6663 17860.2369 0.0000 0.0000 34376.6986 -148984.1078 300.2203 -183360.8064 -148884.6999 300.1996 -0.8907 28.6855 557182.6024 6.0246 6.1533 PRESSURE: 3668600 105.505 92.5605 5.20855 92.5592 -187.266 -33.4302 5.20819 -33.4291 10.5096 GPRESSURE: 3668600 128.116 83.8519 -24.2095 78.597 -137.486 -34.1111 -36.6976 18.7119 33.2969 PRESSAVG: 3668600 -0.0927892 18.0023 -42.3055 18.0023 7.78189 0.453056 -42.3055 0.453104 -1.6215 GPRESSAVG: 3668600 0.366492 15.8492 -43.7719 18.9307 7.60349 0.438926 -40.3267 0.301134 -2.07379 TIMING: 3668600 CPU: 10630.5, 0.00288212/step Wall: 10630.5, 0.00288212/step, 1.0659 hours remaining, 210.550781 MB of memory in use. ENERGY: 3668600 732.3547 2108.3340 1967.4002 109.4054 -206173.7314 17773.2964 0.0000 0.0000 34367.4726 -149115.4682 300.1397 -183482.9408 -149016.8299 300.1748 -23.7506 7.9757 558136.2225 2.0225 1.9654 PRESSURE: 3668800 3.60602 -192.464 8.68046 -192.464 -124.199 75.6542 8.67955 75.655 -94.7518 GPRESSURE: 3668800 51.7781 -148.664 -88.1279 -225.351 -70.2827 131.877 -33.2578 16.0971 -97.5419 PRESSAVG: 3668800 33.1852 6.48667 12.8771 6.48663 5.84194 9.23114 12.8771 9.23115 -21.9946 GPRESSAVG: 3668800 32.3499 8.77412 13.3969 3.11352 6.77717 10.0874 11.975 7.40923 -22.0157 TIMING: 3668800 CPU: 10631.1, 0.00287293/step Wall: 10631.1, 0.00287293/step, 1.06234 hours remaining, 210.550781 MB of memory in use. ENERGY: 3668800 792.0350 2087.3649 1972.2595 128.4975 -206301.6300 17936.3756 0.0000 0.0000 34263.9021 -149121.1954 299.2352 -183385.0975 -149030.5969 299.6909 -71.7815 -38.6822 557338.7534 5.6775 5.7038 PRESSURE: 3669000 -105.415 113.88 -266.015 113.88 -215.048 83.5777 -266.014 83.5786 -262.257 GPRESSURE: 3669000 -47.8989 112.776 -206.02 127.519 -184.361 49.6083 -146.846 126.46 -249.395 PRESSAVG: 3669000 48.8326 -33.9904 8.51056 -33.9904 -40.0593 22.0144 8.5106 22.0144 -21.3982 GPRESSAVG: 3669000 48.8882 -34.1464 8.8222 -33.496 -40.5633 19.9329 8.71068 21.7961 -20.855 TIMING: 3669000 CPU: 10631.7, 0.00286339/step Wall: 10631.7, 0.00286339/step, 1.05866 hours remaining, 210.550781 MB of memory in use. ENERGY: 3669000 755.3288 2041.9891 1922.8385 116.2751 -205704.2873 17595.3406 0.0000 0.0000 34238.8274 -149033.6879 299.0162 -183272.5153 -148935.8529 299.8201 -194.2400 -160.5515 557787.8849 -4.2083 -4.1767 PRESSURE: 3669200 -77.0902 -77.6981 -88.4501 -77.698 -101.406 -4.27834 -88.4491 -4.27961 -0.815339 GPRESSURE: 3669200 -31.0508 -154.221 -164.005 3.36807 -44.5798 -2.18784 -14.9573 -77.3238 -1.73981 PRESSAVG: 3669200 18.1449 28.4755 -37.3299 28.4756 -22.2134 -28.5052 -37.33 -28.5052 -5.61161 GPRESSAVG: 3669200 18.7337 26.9737 -37.8502 30.2346 -22.2243 -26.3561 -36.4181 -27.8549 -5.9474 TIMING: 3669200 CPU: 10632.3, 0.00289253/step Wall: 10632.3, 0.00289253/step, 1.06927 hours remaining, 210.550781 MB of memory in use. ENERGY: 3669200 725.8903 2063.2747 1978.1241 113.8006 -206311.9230 17878.0360 0.0000 0.0000 34373.0309 -149179.7665 300.1882 -183552.7973 -149078.6043 300.0545 -59.7705 -25.7901 558200.0259 -3.2267 -3.1460 PRESSURE: 3669400 -142.39 -109.151 -26.8973 -109.15 27.1304 16.6981 -26.8978 16.6987 -292.385 GPRESSURE: 3669400 -85.3307 -90.0049 54.6347 -59.2288 49.7208 -27.1387 -59.6838 7.68035 -270.123 PRESSAVG: 3669400 55.1293 15.6893 34.8432 15.6892 2.56212 18.1316 34.8433 18.1317 -28.1401 GPRESSAVG: 3669400 54.9461 15.2224 33.4141 16.194 1.39487 17.5001 33.988 17.2099 -27.2159 TIMING: 3669400 CPU: 10632.8, 0.00289033/step Wall: 10632.8, 0.00289033/step, 1.0683 hours remaining, 210.550781 MB of memory in use. ENERGY: 3669400 708.0473 2124.3759 1965.5377 109.5769 -206186.3674 17749.9450 0.0000 0.0000 34388.8432 -149140.0412 300.3263 -183528.8844 -149041.3445 299.8406 -135.8816 -101.9111 558611.0108 9.8504 9.7084 PRESSURE: 3669600 -67.4101 76.3766 100.551 76.3776 446.621 101.834 100.55 101.832 207.053 GPRESSURE: 3669600 -12.6316 98.7479 110.952 46.4743 408.202 117.237 142.846 44.2085 299.186 PRESSAVG: 3669600 10.7567 8.37822 10.0513 8.37837 3.60431 67.288 10.0512 67.288 -17.7397 GPRESSAVG: 3669600 12.1523 10.4731 12.4216 5.47941 3.07746 66.4178 9.99309 67.9732 -18.7017 TIMING: 3669600 CPU: 10633.4, 0.00290224/step Wall: 10633.4, 0.00290224/step, 1.07254 hours remaining, 210.550781 MB of memory in use. ENERGY: 3669600 739.7486 2165.1921 1924.5432 116.1587 -206818.3708 18124.3366 0.0000 0.0000 34534.1935 -149214.1983 301.5957 -183748.3918 -149128.7356 299.9938 195.4213 231.5853 556059.2681 -1.1262 -1.1573 PRESSURE: 3669800 -286.839 7.15858 8.59863 7.15914 -56.6924 -50.5249 8.59934 -50.525 -304.309 GPRESSURE: 3669800 -213.036 -26.7239 -55.1199 50.6534 -78.5019 -30.8854 25.7958 -134.164 -262.584 PRESSAVG: 3669800 -23.1249 2.86625 29.7768 2.86619 50.3473 -6.18523 29.7769 -6.18518 38.2756 GPRESSAVG: 3669800 -23.0825 3.08588 28.2405 3.83161 50.3189 -7.03852 28.9796 -7.61031 38.4109 TIMING: 3669800 CPU: 10634, 0.00289057/step Wall: 10634, 0.00289057/step, 1.06807 hours remaining, 210.550781 MB of memory in use. ENERGY: 3669800 749.6452 2129.6629 1918.1822 105.0527 -206242.4216 17854.4734 0.0000 0.0000 34090.9768 -149394.4285 297.7250 -183485.4053 -149302.3071 299.1154 -215.9469 -184.7073 558879.2912 21.8327 21.8824 PRESSURE: 3670000 -10.3867 -60.4533 -169.046 -60.4526 -128.41 13.3502 -169.046 13.3517 39.0411 GPRESSURE: 3670000 -25.6561 -53.1885 -231.521 -14.8198 -43.0425 49.5564 -122.859 -72.8315 63.881 PRESSAVG: 3670000 -31.4164 9.84442 -36.2095 9.8445 34.2874 24.4631 -36.2096 24.4631 -7.9009 GPRESSAVG: 3670000 -32.1814 9.38875 -35.2914 9.77118 36.0818 25.8983 -34.5639 23.6578 -9.05103 TIMING: 3670000 CPU: 10634.6, 0.00287427/step Wall: 10634.6, 0.00287427/step, 1.06188 hours remaining, 210.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3670000 746.2883 2090.4173 1968.5144 128.9815 -206180.7980 17803.3511 0.0000 0.0000 34229.8499 -149213.3955 298.9378 -183443.2453 -149115.5097 298.2372 -33.2519 -1.6059 557937.0796 -1.6766 -1.7169 PRESSURE: 3670200 -14.3248 22.3276 116.404 22.3284 -93.7325 135.122 116.405 135.122 -191.88 GPRESSURE: 3670200 -15.912 49.8481 169.45 47.8422 -56.4742 86.9232 67.7669 149.042 -125.264 PRESSAVG: 3670200 -15.6406 -35.3857 -4.73467 -35.3857 7.60483 12.4022 -4.73466 12.4022 -15.0722 GPRESSAVG: 3670200 -17.0073 -36.0513 -5.15904 -35.3452 6.47507 12.1223 -5.13684 14.9366 -12.5428 TIMING: 3670200 CPU: 10635.2, 0.00287916/step Wall: 10635.2, 0.00287916/step, 1.06353 hours remaining, 210.550781 MB of memory in use. ENERGY: 3670200 735.7637 2055.7248 1963.2969 107.3956 -206157.7261 17907.3192 0.0000 0.0000 34414.1403 -148974.0856 300.5472 -183388.2258 -148880.2798 299.5913 -99.9790 -65.8835 559093.7971 -7.7027 -7.6917 PRESSURE: 3670400 -343.199 57.7516 -142.604 57.7512 -227.155 9.40425 -142.605 9.40455 -36.4429 GPRESSURE: 3670400 -314.828 37.5803 -168.638 8.48119 -218.785 46.9164 -189.078 -41.1886 11.7455 PRESSAVG: 3670400 58.0067 44.7249 31.5914 44.7249 23.3867 -7.38891 31.5914 -7.38881 -44.2033 GPRESSAVG: 3670400 58.1667 45.0729 32.746 44.6642 23.3722 -6.88059 30.4725 -8.67192 -44.5737 TIMING: 3670400 CPU: 10635.7, 0.00287392/step Wall: 10635.7, 0.00287392/step, 1.06143 hours remaining, 210.550781 MB of memory in use. ENERGY: 3670400 775.3832 2074.7440 1959.7948 118.3258 -205702.7202 17427.4665 0.0000 0.0000 34384.8089 -148962.1970 300.2911 -183347.0060 -148865.3442 299.5996 -202.2654 -173.9559 557975.6244 12.3967 12.3217 PRESSURE: 3670600 24.5872 -44.966 16.799 -44.9666 -192.844 214.405 16.7997 214.404 -177.752 GPRESSURE: 3670600 11.1373 -86.0109 31.7693 90.7478 -112.798 219.174 -52.9751 214.106 -137.697 PRESSAVG: 3670600 1.0174 28.2265 7.94253 28.2266 24.69 37.8874 7.94254 37.8873 -36.2709 GPRESSAVG: 3670600 2.00255 29.5062 7.71674 26.2338 25.1721 37.589 9.10602 38.4124 -37.4856 TIMING: 3670600 CPU: 10636.3, 0.0028753/step Wall: 10636.3, 0.0028753/step, 1.06178 hours remaining, 210.550781 MB of memory in use. ENERGY: 3670600 773.5542 2097.4368 1924.3771 106.6046 -205625.6997 17509.6241 0.0000 0.0000 34182.5500 -149031.5529 298.5247 -183214.1029 -148925.1334 299.5069 -115.3364 -79.7858 558102.1005 -3.5212 -3.4370 PRESSURE: 3670800 17.4903 -50.9474 36.5397 -50.9495 271.266 -184.063 36.5406 -184.063 31.6943 GPRESSURE: 3670800 68.8918 -76.6261 60.9691 -88.5502 247.019 -175.183 35.3822 -216.208 106.242 PRESSAVG: 3670800 47.7956 -54.4929 -3.72984 -54.4929 9.63975 25.0038 -3.72982 25.0037 -28.5811 GPRESSAVG: 3670800 46.8266 -54.3456 -2.90426 -52.318 10.3963 26.0427 -6.17466 24.598 -28.539 TIMING: 3670800 CPU: 10636.9, 0.00287276/step Wall: 10636.9, 0.00287276/step, 1.06069 hours remaining, 210.550781 MB of memory in use. ENERGY: 3670800 738.3499 2042.8387 1953.2206 104.2164 -206178.7310 17845.3940 0.0000 0.0000 34240.0202 -149254.6913 299.0266 -183494.7115 -149154.0207 298.9495 106.8170 140.7175 557219.2085 9.6181 9.5613 PRESSURE: 3671000 -262.946 0.667971 -102.112 0.665718 -207.281 14.1237 -102.113 14.1248 -185.799 GPRESSURE: 3671000 -250.948 6.94266 -129.133 12.1448 -157.534 14.0701 -102.284 65.3856 -156.201 PRESSAVG: 3671000 -2.87069 -62.7552 -17.9281 -62.7553 -32.6759 26.9216 -17.9281 26.9216 24.7936 GPRESSAVG: 3671000 -2.83355 -64.8279 -17.727 -62.6008 -32.9357 26.6034 -16.8152 26.8415 24.9654 TIMING: 3671000 CPU: 10637.5, 0.00289538/step Wall: 10637.5, 0.00289538/step, 1.06888 hours remaining, 210.550781 MB of memory in use. ENERGY: 3671000 765.0835 2078.4435 1946.4154 115.9485 -205883.8205 17551.3224 0.0000 0.0000 34265.4180 -149161.1892 299.2484 -183426.6072 -149060.5819 299.1047 -218.6754 -188.2275 558797.8060 -3.5843 -3.6013 PRESSURE: 3671200 -324.833 -135.693 66.7678 -135.693 -203.019 69.6163 66.7687 69.6154 1.64801 GPRESSURE: 3671200 -282.295 -164.284 65.3383 -93.9914 -194.471 138.209 57.08 7.04177 48.813 PRESSAVG: 3671200 -11.2045 -1.06786 -19.1605 -1.06789 13.7089 28.9571 -19.1606 28.9571 19.6819 GPRESSAVG: 3671200 -10.2017 0.785 -17.6454 -0.109209 12.9675 29.5728 -19.8296 27.0107 19.4633 TIMING: 3671200 CPU: 10638, 0.00289593/step Wall: 10638, 0.00289593/step, 1.06892 hours remaining, 210.550781 MB of memory in use. ENERGY: 3671200 754.2497 2065.3589 1926.5719 117.7256 -205915.3385 17611.7524 0.0000 0.0000 34250.4783 -149189.2017 299.1179 -183439.6800 -149085.1629 299.3639 -175.4014 -142.6508 556652.4997 7.3954 7.4097 PRESSURE: 3671400 106.152 -95.3209 -109.65 -95.3213 91.8105 42.1261 -109.651 42.1257 106.118 GPRESSURE: 3671400 111.897 -45.5933 -24.374 -143.488 98.5254 36.6345 -122.55 85.3804 199.174 PRESSAVG: 3671400 -9.19031 -67.9016 3.44162 -67.9017 0.219133 32.4108 3.44157 32.4106 23.7427 GPRESSAVG: 3671400 -10.0184 -69.587 1.24783 -69.5963 -0.347696 32.5663 4.94679 34.5013 25.1648 TIMING: 3671400 CPU: 10638.6, 0.00288922/step Wall: 10638.6, 0.00288922/step, 1.06628 hours remaining, 210.550781 MB of memory in use. ENERGY: 3671400 760.3141 2041.3206 1937.1874 116.2061 -206292.7830 17878.9899 0.0000 0.0000 34212.7143 -149346.0506 298.7881 -183558.7649 -149252.8322 299.6100 101.3603 136.5322 556046.0430 4.9238 4.9329 PRESSURE: 3671600 69.853 -130.896 147.843 -130.896 54.3101 -79.6234 147.843 -79.6247 35.1586 GPRESSURE: 3671600 67.4873 -167.938 82.4491 -47.5817 129.618 -123.614 105.472 -71.1544 55.7679 PRESSAVG: 3671600 42.5812 -37.2231 3.0902 -37.2231 19.7293 43.0994 3.09024 43.0994 -33.5757 GPRESSAVG: 3671600 41.5712 -36.5599 2.82255 -36.6398 21.2313 43.9703 2.31893 41.8979 -34.7252 TIMING: 3671600 CPU: 10639.2, 0.00288008/step Wall: 10639.2, 0.00288008/step, 1.06275 hours remaining, 210.550781 MB of memory in use. ENERGY: 3671600 730.2294 2057.6408 1924.7999 121.8265 -206122.5897 17817.6670 0.0000 0.0000 34093.5617 -149376.8644 297.7476 -183470.4261 -149289.4043 298.3557 53.1072 84.2911 556080.3838 9.5783 9.3591 PRESSURE: 3671800 -103.003 53.1856 18.9248 53.187 131.371 62.6441 18.9248 62.6439 -160.434 GPRESSURE: 3671800 -45.6456 40.4297 -17.2573 76.6263 174.877 76.3988 13.9483 63.0013 -154.568 PRESSAVG: 3671800 9.66803 -78.2683 41.4068 -78.2684 22.0316 -9.8663 41.4069 -9.86642 -34.3618 GPRESSAVG: 3671800 10.1915 -78.7501 39.2596 -79.5472 21.4987 -11.1026 43.3118 -10.6725 -34.1559 TIMING: 3671800 CPU: 10639.8, 0.00285268/step Wall: 10639.8, 0.00285268/step, 1.05248 hours remaining, 210.550781 MB of memory in use. ENERGY: 3671800 732.9955 2125.4674 1942.7851 115.4634 -205925.4835 17613.3893 0.0000 0.0000 34097.5063 -149297.8765 297.7820 -183395.3828 -149202.4956 297.7034 -44.0219 -8.4456 558115.1002 -0.8874 -0.8219 PRESSURE: 3672000 -267.745 -125.06 -46.4196 -125.059 -58.3805 -25.5854 -46.4185 -25.5864 70.9491 GPRESSURE: 3672000 -285.78 -80.7578 -70.9747 -82.6226 31.94 -65.8629 -77.3695 66.2359 107.659 PRESSAVG: 3672000 -2.45061 -12.8813 9.61036 -12.8813 88.5488 14.8538 9.61041 14.8537 -85.1194 GPRESSAVG: 3672000 -2.69764 -14.3912 13.5003 -11.9406 89.6167 12.599 6.48563 16.6973 -85.5306 TIMING: 3672000 CPU: 10640.3, 0.00287299/step Wall: 10640.3, 0.00287299/step, 1.05981 hours remaining, 210.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3672000 751.7187 2053.2990 1944.8184 106.9682 -206319.8872 17756.3702 0.0000 0.0000 34293.4248 -149413.2879 299.4930 -183706.7127 -149321.0191 298.8049 -85.0587 -48.7270 557433.4410 0.3263 0.4628 PRESSURE: 3672200 -212.191 -149.978 20.7988 -149.98 -153.745 -284.172 20.798 -284.173 -115.171 GPRESSURE: 3672200 -153.038 -148.515 -94.9174 -216.187 -147.286 -236.69 43.8522 -282.997 -92.1298 PRESSAVG: 3672200 20.9193 -52.4604 22.0133 -52.4604 3.16771 -29.5671 22.0133 -29.5671 -34.5292 GPRESSAVG: 3672200 21.6326 -51.2842 20.7364 -52.6823 2.48143 -28.3815 23.7395 -28.5333 -34.5883 TIMING: 3672200 CPU: 10640.9, 0.00290039/step Wall: 10640.9, 0.00290039/step, 1.06976 hours remaining, 210.550781 MB of memory in use. ENERGY: 3672200 762.4312 2122.1821 1919.8680 106.3583 -205869.0425 17567.1229 0.0000 0.0000 34207.5594 -149183.5207 298.7431 -183391.0801 -149085.6979 298.8931 -160.3690 -130.8179 557858.4644 -3.4807 -3.4914 LDB: ============= START OF LOAD BALANCING ============== 10644.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10644.3 LDB: =============== DONE WITH MIGRATION ================ 10644.3 LDB: ============= START OF LOAD BALANCING ============== 10644.6 LDB: Largest compute 4792 load 0.026981 is 22.9% of average load 0.118058 LDB: Average compute 0.001733 is 1.5% of average load 0.118058 LDB: TIME 10644.6 LOAD: AVG 0.118058 MAX 0.178573 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 10644.6 LOAD: AVG 0.118058 MAX 0.178573 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.062 MB LDB: TIME 10644.6 LOAD: AVG 0.118058 MAX 0.178573 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.062 MB LDB: ============== END OF LOAD BALANCING =============== 10644.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10644.6 PRESSURE: 3672400 -279.987 25.6532 -77.6175 25.6518 -344.112 -65.0917 -77.6183 -65.0933 -190.869 GPRESSURE: 3672400 -213.386 88.7726 -93.9374 -75.8041 -309.071 -95.02 -56.3413 -31.7618 -187.134 PRESSAVG: 3672400 -47.84 -18.5258 -70.7493 -18.5258 63.1449 -19.0925 -70.7493 -19.0925 -20.0816 GPRESSAVG: 3672400 -47.0379 -19.1846 -70.6979 -17.9816 61.8719 -20.2778 -70.228 -19.6504 -18.6319 TIMING: 3672400 CPU: 10641.5, 0.00295792/step Wall: 10641.5, 0.00295792/step, 1.09082 hours remaining, 211.375000 MB of memory in use. ENERGY: 3672400 728.6016 2015.1155 1952.6260 107.2957 -205723.0624 17394.5881 0.0000 0.0000 34329.7229 -149195.1127 299.8100 -183524.8356 -149098.7180 299.5963 -271.6559 -236.5305 559140.2474 -1.5922 -1.2660 PRESSURE: 3672600 88.9278 77.2463 34.6915 77.2461 261.91 -53.6209 34.6922 -53.6216 96.9809 GPRESSURE: 3672600 92.2664 45.765 14.7932 41.6531 305.19 10.0778 108.052 -85.1976 140.973 PRESSAVG: 3672600 21.465 -20.0386 -21.6727 -20.0387 -32.5569 -24.6304 -21.6727 -24.6304 -28.2217 GPRESSAVG: 3672600 20.8485 -19.414 -21.8567 -21.0143 -31.2609 -22.7327 -21.6908 -27.6111 -28.7389 TIMING: 3672600 CPU: 10642.1, 0.00287288/step Wall: 10642.1, 0.00287288/step, 1.05929 hours remaining, 211.375000 MB of memory in use. ENERGY: 3672600 724.2727 2039.2310 1970.7410 105.7774 -206275.1867 18022.4220 0.0000 0.0000 34342.6689 -149070.0735 299.9231 -183412.7425 -148968.7797 298.7386 149.2730 179.4768 557154.8872 -13.1045 -13.0504 PRESSURE: 3672800 141.143 80.59 56.6829 80.5916 192.013 74.0109 56.6818 74.01 -165.227 GPRESSURE: 3672800 131.198 -37.8451 87.6742 120.891 246.965 113.01 -50.0378 49.6565 -112.291 PRESSAVG: 3672800 18.201 -18.4158 -18.1855 -18.4158 32.3306 21.5986 -18.1855 21.5986 -4.23732 GPRESSAVG: 3672800 17.3576 -18.4095 -16.5329 -16.596 31.8956 21.293 -20.0075 23.6816 -3.01523 TIMING: 3672800 CPU: 10642.7, 0.00286667/step Wall: 10642.7, 0.00286667/step, 1.05684 hours remaining, 211.375000 MB of memory in use. ENERGY: 3672800 738.6452 2063.8147 1976.3852 102.8189 -205889.2241 17757.7279 0.0000 0.0000 34198.2918 -149051.5405 298.6622 -183249.8323 -148962.1790 298.9051 55.9762 88.6243 557240.8346 15.4314 15.4127 PRESSURE: 3673000 -118.753 -22.5765 -17.4186 -22.5773 34.0498 -98.4756 -17.4179 -98.4735 -120.255 GPRESSURE: 3673000 -78.6262 -61.9813 2.747 -57.7994 76.3603 -68.8692 -20.6456 -125.462 -92.8798 PRESSAVG: 3673000 -61.0707 22.8167 4.4355 22.8167 51.1137 -26.168 4.43548 -26.1681 18.8454 GPRESSAVG: 3673000 -59.2801 23.2378 5.5811 20.5381 51.3292 -25.7072 4.08817 -26.8736 17.294 TIMING: 3673000 CPU: 10643.2, 0.00286867/step Wall: 10643.2, 0.00286867/step, 1.05742 hours remaining, 211.375000 MB of memory in use. ENERGY: 3673000 768.3346 2029.3784 1962.9518 120.5685 -206144.8476 17816.0184 0.0000 0.0000 34213.2941 -149234.3017 298.7932 -183447.5958 -149133.8618 298.5178 -68.3193 -31.7152 557532.2290 2.9628 3.1143 PRESSURE: 3673200 46.2614 49.3412 -89.9826 49.3417 -30.5962 139.855 -89.9816 139.855 279.978 GPRESSURE: 3673200 110.739 -74.4085 -134.621 74.6105 50.7731 118.916 -143.385 84.1496 235.2 PRESSAVG: 3673200 -36.8749 -37.436 -8.01275 -37.436 56.3792 -11.1078 -8.0127 -11.1078 15.3427 GPRESSAVG: 3673200 -36.0799 -40.8888 -9.55333 -35.2132 56.5729 -12.7132 -5.95124 -10.8966 15.231 TIMING: 3673200 CPU: 10643.8, 0.00287593/step Wall: 10643.8, 0.00287594/step, 1.05994 hours remaining, 211.375000 MB of memory in use. ENERGY: 3673200 711.3087 2094.2390 1968.9917 125.6186 -206359.1933 17900.5922 0.0000 0.0000 34379.2815 -149179.1615 300.2428 -183558.4430 -149082.2368 299.3710 98.5478 132.2376 555573.3644 11.6157 11.9080 PRESSURE: 3673400 91.2968 126.877 100.245 126.876 -271.655 -48.48 100.246 -48.4791 -87.2036 GPRESSURE: 3673400 141.506 168.78 20.4945 120.936 -180.197 -65.5154 69.54 73.8204 -133.986 PRESSAVG: 3673400 14.1658 -33.8165 17.0845 -33.8165 64.0455 -5.72941 17.0845 -5.72926 -54.8892 GPRESSAVG: 3673400 14.1024 -31.1798 16.5882 -36.8467 64.0644 -5.73182 14.4612 -5.23939 -54.6587 TIMING: 3673400 CPU: 10644.4, 0.00285043/step Wall: 10644.4, 0.00285043/step, 1.05038 hours remaining, 211.375000 MB of memory in use. ENERGY: 3673400 743.7400 2064.9262 1931.8656 106.3150 -206112.0969 17658.2864 0.0000 0.0000 34289.0634 -149317.9002 299.4549 -183606.9636 -149218.7582 298.7437 -89.1873 -57.5588 557597.0053 7.7740 7.8360 PRESSURE: 3673600 90.4394 -212.488 -51.4164 -212.488 215.87 18.2676 -51.4175 18.2683 30.9213 GPRESSURE: 3673600 209.269 -273.117 -36.1654 -223.743 135.11 -59.8691 -18.8147 87.1904 88.0382 PRESSAVG: 3673600 60.5276 17.7822 -27.8373 17.7822 9.68309 -5.71875 -27.8373 -5.71876 -60.6346 GPRESSAVG: 3673600 59.9884 17.888 -28.6881 18.1724 10.1958 -4.28876 -26.3832 -7.38108 -60.4408 TIMING: 3673600 CPU: 10644.9, 0.0028505/step Wall: 10644.9, 0.0028505/step, 1.05025 hours remaining, 211.375000 MB of memory in use. ENERGY: 3673600 750.7931 2106.5748 1947.7662 109.7094 -206486.8915 18084.6249 0.0000 0.0000 34229.4813 -149257.9419 298.9346 -183487.4232 -149159.9271 299.3288 112.4101 144.1391 558290.1616 3.1920 3.2478 PRESSURE: 3673800 -274.54 -108.384 -27.251 -108.385 -243.556 128.952 -27.2536 128.952 -118.322 GPRESSURE: 3673800 -288.969 -113.513 58.328 -36.8585 -214.745 136.726 -66.4395 91.6407 -38.4463 PRESSAVG: 3673800 -23.9691 -16.7754 -41.2145 -16.7755 -21.626 20.6467 -41.2145 20.6468 34.121 GPRESSAVG: 3673800 -23.4637 -16.3223 -39.8515 -15.397 -22.465 20.1101 -40.8865 19.8402 34.0113 TIMING: 3673800 CPU: 10645.5, 0.00287729/step Wall: 10645.5, 0.00287729/step, 1.05996 hours remaining, 211.375000 MB of memory in use. ENERGY: 3673800 766.1851 2063.0691 1946.1459 124.7484 -205516.7928 17434.2630 0.0000 0.0000 33946.9524 -149235.4288 296.4672 -183182.3812 -149134.5448 299.1534 -212.1397 -180.7202 558867.7273 -3.8247 -3.9725 PRESSURE: 3674000 -294.572 -98.2273 62.7463 -98.2285 -261.392 132.135 62.7486 132.135 -230.961 GPRESSURE: 3674000 -258.38 -61.8206 2.30435 -48.0824 -322.229 79.8116 101.99 145.456 -92.8076 PRESSAVG: 3674000 -74.6964 6.19092 -10.6023 6.1909 -5.03868 52.3465 -10.6023 52.3466 65.1618 GPRESSAVG: 3674000 -73.781 6.57969 -10.8272 5.74077 -6.38538 50.8099 -10.5242 56.0872 65.7878 TIMING: 3674000 CPU: 10646.1, 0.00286333/step Wall: 10646.1, 0.00286333/step, 1.05466 hours remaining, 211.375000 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: 3674000 727.2585 2149.9730 1927.9578 125.3273 -205864.5359 17388.6107 0.0000 0.0000 34362.7387 -149182.6701 300.0983 -183545.4088 -149085.6671 298.8712 -262.3083 -224.4722 559660.9537 -4.8577 -4.7928 PRESSURE: 3674200 141.772 36.9944 108.392 36.994 49.1096 -101.265 108.393 -101.265 -98.0354 GPRESSURE: 3674200 161.328 107.185 106.299 -24.6771 121.85 -42.1899 199.737 20.3324 -104.604 PRESSAVG: 3674200 -18.1139 -10.3221 -49.1631 -10.3221 -22.4701 6.40285 -49.1631 6.40291 11.11 GPRESSAVG: 3674200 -19.309 -12.4539 -52.7354 -10.7822 -21.8631 9.71503 -50.7028 3.89314 11.4332 TIMING: 3674200 CPU: 10646.7, 0.00286852/step Wall: 10646.7, 0.00286852/step, 1.05641 hours remaining, 211.375000 MB of memory in use. ENERGY: 3674200 754.8512 2109.7339 1918.8459 111.3817 -206083.7470 17859.1698 0.0000 0.0000 34252.3185 -149077.4461 299.1340 -183329.7646 -148979.5467 298.6818 30.9488 59.5244 557909.9089 -9.8247 -9.9130 PRESSURE: 3674400 181.193 -91.8404 116.396 -91.8397 -17.938 -11.4546 116.396 -11.454 210.88 GPRESSURE: 3674400 269.278 -152.125 118.444 -69.9524 -4.03293 14.5476 121.832 -91.7061 215.691 PRESSAVG: 3674400 0.824114 7.39008 81.3626 7.39008 21.5492 -2.13468 81.3626 -2.13475 36.3759 GPRESSAVG: 3674400 1.30087 7.41406 82.9688 7.80666 22.4339 -5.34497 81.4392 -1.92535 34.77 TIMING: 3674400 CPU: 10647.2, 0.00289257/step Wall: 10647.2, 0.00289257/step, 1.06511 hours remaining, 211.375000 MB of memory in use. ENERGY: 3674400 726.6223 2154.6077 1929.0657 120.2009 -206312.9350 18051.4102 0.0000 0.0000 34350.4372 -148980.5910 299.9909 -183331.0281 -148890.4228 299.6199 124.7117 160.3121 559158.2062 19.5831 19.5016 PRESSURE: 3674600 108.233 124.042 -26.0716 124.042 142.126 -10.4314 -26.0717 -10.4309 -182.402 GPRESSURE: 3674600 123.751 135.087 -51.1393 138.826 167.336 -4.84361 -27.0734 -37.039 -115.262 PRESSAVG: 3674600 18.1099 -23.3411 13.2039 -23.3411 5.62181 5.99816 13.2039 5.9982 9.15407 GPRESSAVG: 3674600 16.4029 -24.8848 13.0221 -23.474 6.86833 7.72103 14.4203 5.75651 10.1202 TIMING: 3674600 CPU: 10647.8, 0.00288773/step Wall: 10647.8, 0.00288773/step, 1.06316 hours remaining, 211.375000 MB of memory in use. ENERGY: 3674600 738.6963 2094.0824 1943.5948 108.1423 -205801.3978 17707.6236 0.0000 0.0000 34229.8634 -148979.3950 298.9379 -183209.2584 -148889.9988 299.4163 22.6522 58.6083 556505.8985 10.9619 11.1305 PRESSURE: 3674800 -244.567 -92.3484 -12.4521 -92.3488 172.074 79.0382 -12.4525 79.0395 -272.941 GPRESSURE: 3674800 -133.091 -94.9747 -5.80666 -23.788 125.603 117.807 -35.7861 -0.777911 -231.08 PRESSAVG: 3674800 25.883 -15.7149 9.45688 -15.715 -16.1319 62.4764 9.45684 62.4763 -10.824 GPRESSAVG: 3674800 26.696 -14.3065 12.2298 -14.3432 -17.5709 61.7207 6.39469 63.2724 -10.4326 TIMING: 3674800 CPU: 10648.4, 0.00290176/step Wall: 10648.4, 0.00290176/step, 1.06817 hours remaining, 211.375000 MB of memory in use. ENERGY: 3674800 759.0942 2095.0902 1916.6503 101.9746 -205946.1760 17801.7117 0.0000 0.0000 34235.7787 -149035.8761 298.9896 -183271.6548 -148937.6008 299.5882 -115.1445 -79.5227 559416.7021 -0.3576 -0.4359 PRESSURE: 3675000 200.316 -10.3297 -174.735 -10.3284 -143.975 -83.2813 -174.734 -83.2823 85.0425 GPRESSURE: 3675000 262.991 -60.7144 -105.797 -4.6711 -96.6688 -27.9589 -226.172 -112.603 61.9574 PRESSAVG: 3675000 11.7097 -31.6151 22.2162 -31.6151 -33.9253 -61.5748 22.2163 -61.5748 22.3891 GPRESSAVG: 3675000 12.1313 -29.4776 22.745 -33.3716 -34.1768 -60.3342 23.3538 -60.9786 22.0419 TIMING: 3675000 CPU: 10649, 0.00286859/step Wall: 10649, 0.00286859/step, 1.0558 hours remaining, 211.375000 MB of memory in use. ENERGY: 3675000 761.1111 2081.6915 1920.4612 108.2986 -206478.6738 17928.1770 0.0000 0.0000 34509.4948 -149169.4396 301.3800 -183678.9344 -149071.3239 299.9818 47.1281 76.0931 557191.5950 0.0578 -0.0012 PRESSURE: 3675200 -5.6105 -200.4 -72.2703 -200.4 113.697 298.742 -72.2702 298.741 154.776 GPRESSURE: 3675200 47.5588 -251.262 -77.1734 -108.344 128.03 348.656 -91.3265 200.377 180.775 PRESSAVG: 3675200 63.9979 -85.9053 15.0009 -85.9054 -8.90481 56.679 15.001 56.6791 -26.6917 GPRESSAVG: 3675200 63.6179 -86.6354 13.3536 -84.6253 -7.94007 55.7028 14.3573 56.4124 -27.8244 TIMING: 3675200 CPU: 10649.6, 0.00286244/step Wall: 10649.6, 0.00286244/step, 1.05338 hours remaining, 211.375000 MB of memory in use. ENERGY: 3675200 735.3302 2107.9025 1931.4251 121.7148 -206405.9203 17953.2787 0.0000 0.0000 34210.3373 -149345.9317 298.7674 -183556.2689 -149253.2928 299.0578 87.6207 118.7880 557530.7945 9.4671 9.2845 PRESSURE: 3675400 -82.5058 -58.1038 -64.9534 -58.1031 149.667 37.0867 -64.9527 37.0863 75.7642 GPRESSURE: 3675400 -49.676 4.006 -46.1715 -75.5428 173.041 115.399 -94.1544 25.8336 115.252 PRESSAVG: 3675400 -14.0871 -21.7226 38.5115 -21.7225 2.82482 57.2318 38.5115 57.2318 33.0952 GPRESSAVG: 3675400 -14.1994 -21.7605 39.1252 -22.0448 2.41581 57.9533 38.2444 58.2199 34.1764 TIMING: 3675400 CPU: 10650.1, 0.00287075/step Wall: 10650.1, 0.00287075/step, 1.05628 hours remaining, 211.375000 MB of memory in use. ENERGY: 3675400 754.9339 2106.3439 1926.6021 110.9828 -206401.8819 17998.9803 0.0000 0.0000 34227.5554 -149276.4835 298.9178 -183504.0389 -149179.4070 299.2842 47.6418 79.5392 557620.3431 7.2776 7.4643 PRESSURE: 3675600 11.3373 65.3657 -25.7982 65.3656 305.793 22.5489 -25.7986 22.5491 284.247 GPRESSURE: 3675600 60.2613 181.774 17.2557 -23.6019 271.923 -51.7665 -62.6722 50.9047 359.451 PRESSAVG: 3675600 21.5553 -24.4778 0.692084 -24.4777 36.8057 -22.5137 0.692003 -22.5137 -11.603 GPRESSAVG: 3675600 20.814 -24.7444 0.584673 -25.6981 36.7506 -24.0623 2.24184 -21.4759 -10.9766 TIMING: 3675600 CPU: 10650.7, 0.00288018/step Wall: 10650.7, 0.00288018/step, 1.05959 hours remaining, 211.375000 MB of memory in use. ENERGY: 3675600 733.6121 2095.6845 1934.0712 111.9256 -206387.6960 17987.4195 0.0000 0.0000 34133.1662 -149391.8171 298.0934 -183524.9832 -149293.8960 298.8938 200.4591 230.5450 556225.6827 15.5860 15.5293 PRESSURE: 3675800 -99.4851 -88.0226 100.822 -88.0233 -268.239 112.517 100.821 112.516 -237.006 GPRESSURE: 3675800 -77.0002 -83.2847 133.997 -86.1688 -179.807 50.5961 15.7133 163.489 -244.179 PRESSAVG: 3675800 24.529 20.6091 13.685 20.6091 -34.3645 38.9192 13.6851 38.9191 -17.9772 GPRESSAVG: 3675800 23.5621 19.1705 12.2327 19.508 -33.3073 38.6504 14.7899 38.1474 -18.1868 TIMING: 3675800 CPU: 10651.3, 0.00288778/step Wall: 10651.3, 0.00288778/step, 1.06222 hours remaining, 211.375000 MB of memory in use. ENERGY: 3675800 746.1002 2021.5968 1919.7413 117.6928 -205900.5014 17574.5762 0.0000 0.0000 34234.1295 -149286.6646 298.9752 -183520.7941 -149186.4175 298.3124 -201.5764 -166.9951 557742.3912 -9.2709 -9.3106 PRESSURE: 3676000 -211.403 -70.7142 -17.0409 -70.7148 -23.017 -116.567 -17.0407 -116.566 -97.1612 GPRESSURE: 3676000 -268.51 -42.1301 -63.5052 -115.801 56.3721 -89.5077 53.3021 -120.898 -25.9534 PRESSAVG: 3676000 25.3448 -18.7685 9.69976 -18.7686 7.74322 -1.991 9.69975 -1.991 -18.2982 GPRESSAVG: 3676000 26.4351 -18.6856 12.0172 -16.0588 6.87539 0.601806 7.15568 -4.46289 -17.7485 TIMING: 3676000 CPU: 10651.9, 0.00289699/step Wall: 10651.9, 0.00289699/step, 1.06545 hours remaining, 211.375000 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: 3676000 780.5233 2049.2400 1950.1279 113.8914 -205978.9196 17751.8501 0.0000 0.0000 33881.2273 -149452.0597 295.8932 -183333.2870 -149358.2323 298.7068 -110.5269 -79.3638 558407.4579 4.9299 5.1873 PRESSURE: 3676200 -17.4066 70.0805 3.24855 70.0808 105.723 -30.0517 3.24922 -30.0541 -131.021 GPRESSURE: 3676200 35.9906 53.3114 -31.2839 75.9848 69.2461 -26.2996 34.6407 -33.3361 -54.5461 PRESSAVG: 3676200 15.2589 33.2334 -31.2287 33.2334 41.5712 -52.504 -31.2288 -52.5039 -38.0211 GPRESSAVG: 3676200 15.7577 34.5547 -33.0031 31.1812 42.2094 -53.8339 -30.2026 -51.0464 -39.1007 TIMING: 3676200 CPU: 10652.4, 0.00290079/step Wall: 10652.4, 0.00290079/step, 1.06668 hours remaining, 211.375000 MB of memory in use. ENERGY: 3676200 727.5472 2095.6030 1928.4534 117.6596 -206353.1248 17828.5421 0.0000 0.0000 34177.9456 -149477.3739 298.4845 -183655.3195 -149384.6147 298.3021 -14.2346 16.8969 557304.7475 6.2696 6.2888 LDB: ============= START OF LOAD BALANCING ============== 10655.8 LDB: ============== END OF LOAD BALANCING =============== 10655.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10655.8 LDB: ============= START OF LOAD BALANCING ============== 10656.1 LDB: Largest compute 4792 load 0.026323 is 22.3% of average load 0.117984 LDB: Average compute 0.001723 is 1.5% of average load 0.117984 LDB: TIME 10656.1 LOAD: AVG 0.117984 MAX 0.178043 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.609 MB LDB: TIME 10656.1 LOAD: AVG 0.117984 MAX 0.178043 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: TIME 10656.1 LOAD: AVG 0.117984 MAX 0.178043 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: ============== END OF LOAD BALANCING =============== 10656.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10656.1 PRESSURE: 3676400 -173.06 -80.3887 -14.1203 -80.3897 109.446 -148.973 -14.1196 -148.972 -158.181 GPRESSURE: 3676400 -139.089 -47.2079 -20.1587 -70.9079 115.706 -58.1037 11.7968 -188.633 -105.268 PRESSAVG: 3676400 -35.7434 30.6862 -36.7232 30.6862 76.4527 4.22838 -36.7232 4.22851 -43.8506 GPRESSAVG: 3676400 -36.1329 29.5118 -36.8935 31.0189 75.9502 4.96787 -36.7836 3.54173 -43.0135 TIMING: 3676400 CPU: 10653, 0.00293383/step Wall: 10653, 0.00293383/step, 1.07867 hours remaining, 209.128906 MB of memory in use. ENERGY: 3676400 735.1709 2082.1553 1955.9709 110.7641 -206280.4978 17741.2180 0.0000 0.0000 34154.8083 -149500.4103 298.2824 -183655.2186 -149399.0908 298.6433 -73.9318 -42.8838 556840.2805 -1.0471 -1.0654 PRESSURE: 3676600 -30.6942 -36.6112 -100.246 -36.6128 -159.026 16.8639 -100.245 16.865 -73.9105 GPRESSURE: 3676600 36.3881 -82.5466 -106.264 -25.924 -131.156 -0.940764 -64.4337 -18.1271 -62.873 PRESSAVG: 3676600 -19.7818 45.8097 -47.8182 45.8098 -2.27189 -40.6672 -47.8182 -40.6672 60.7722 GPRESSAVG: 3676600 -20.0106 47.9299 -48.0684 45.7484 -2.91577 -42.7591 -47.6974 -40.5422 61.4924 TIMING: 3676600 CPU: 10653.6, 0.0028601/step Wall: 10653.6, 0.0028601/step, 1.0514 hours remaining, 209.128906 MB of memory in use. ENERGY: 3676600 717.0544 2109.4434 1939.1523 126.1381 -206150.7697 17615.5742 0.0000 0.0000 34248.9517 -149394.4556 299.1046 -183643.4073 -149301.5539 298.4510 -87.8770 -52.5468 557389.9338 12.9062 12.8554 PRESSURE: 3676800 -116.878 -85.7681 122.551 -85.7689 -218.079 232.917 122.551 232.917 -121.082 GPRESSURE: 3676800 -71.9921 -14.9318 102.484 -100.773 -172.024 165.929 134.026 196.175 -127.759 PRESSAVG: 3676800 -44.1463 25.8313 -1.0243 25.8313 -13.3594 13.5398 -1.02436 13.5398 53.1792 GPRESSAVG: 3676800 -44.4303 23.6776 0.971876 26.1293 -13.2446 11.9857 -2.38763 15.12 52.9608 TIMING: 3676800 CPU: 10654.2, 0.00286944/step Wall: 10654.2, 0.00286944/step, 1.05468 hours remaining, 209.128906 MB of memory in use. ENERGY: 3676800 762.6401 2056.8167 1936.8104 115.2083 -206115.4847 17579.4992 0.0000 0.0000 34290.3882 -149374.1219 299.4665 -183664.5101 -149285.0684 297.9345 -152.0128 -123.9252 557290.0931 -1.4422 -1.5714 PRESSURE: 3677000 129.355 -29.3519 -50.1744 -29.3526 67.2544 28.7548 -50.1749 28.7554 307.604 GPRESSURE: 3677000 193.195 -118.445 -59.1454 39.8032 90.221 43.4472 -107.369 59.1382 319.27 PRESSAVG: 3677000 47.3235 9.34976 -56.7026 9.34966 -17.436 -28.7187 -56.7027 -28.7187 -3.75953 GPRESSAVG: 3677000 47.6999 8.79593 -60.5503 9.27187 -16.8519 -24.7455 -53.1723 -30.0881 -4.63741 TIMING: 3677000 CPU: 10654.7, 0.0028757/step Wall: 10654.7, 0.0028757/step, 1.05682 hours remaining, 209.128906 MB of memory in use. ENERGY: 3677000 757.6958 2089.5539 1946.2460 129.7105 -206706.3294 18118.9740 0.0000 0.0000 34399.2293 -149264.9201 300.4170 -183664.1493 -149172.6764 299.5306 168.0712 200.8955 556398.7178 8.7093 8.7369 PRESSURE: 3677200 -14.9177 76.6187 0.337309 76.6198 -1.64276 -7.29506 0.336939 -7.29626 130.448 GPRESSURE: 3677200 -4.29873 150.513 60.0881 21.5652 26.2838 -53.0072 -11.417 -36.9257 207.123 PRESSAVG: 3677200 27.39 -53.9847 -18.2523 -53.9847 -11.6895 55.8864 -18.2523 55.8864 58.9136 GPRESSAVG: 3677200 26.5906 -53.5385 -16.9175 -52.6602 -11.2043 55.3424 -19.3059 56.8177 59.4173 TIMING: 3677200 CPU: 10655.3, 0.00288763/step Wall: 10655.3, 0.00288763/step, 1.06104 hours remaining, 209.128906 MB of memory in use. ENERGY: 3677200 797.5564 2109.2257 1905.4508 125.0770 -206218.7275 17938.7880 0.0000 0.0000 34133.9341 -149208.6955 298.1001 -183342.6296 -149117.1177 300.0190 37.9625 76.3695 557714.5132 24.8714 24.9345 PRESSURE: 3677400 41.0136 28.3705 2.96862 28.3701 -241.092 29.6675 2.96953 29.668 64.72 GPRESSURE: 3677400 33.3475 -12.3253 -22.4643 19.2808 -169.262 -47.1007 -39.4874 135.175 95.4205 PRESSAVG: 3677400 45.9014 4.768 12.3551 4.76802 -51.2088 9.22578 12.3551 9.2258 -33.7384 GPRESSAVG: 3677400 44.5893 5.90261 14.3835 3.52719 -50.8562 9.71932 12.0532 8.71286 -32.9358 TIMING: 3677400 CPU: 10655.9, 0.00287076/step Wall: 10655.9, 0.00287076/step, 1.05469 hours remaining, 209.128906 MB of memory in use. ENERGY: 3677400 718.9762 2131.1069 1940.9551 117.2435 -205795.7121 17552.0114 0.0000 0.0000 34247.0599 -149088.3591 299.0881 -183335.4190 -148990.9418 299.4391 -45.1195 -13.4981 556887.2349 -13.0153 -13.0676 PRESSURE: 3677600 25.9476 -15.8378 -97.0755 -15.8362 -244.242 21.231 -97.0743 21.2317 -154.47 GPRESSURE: 3677600 -33.4194 -26.7911 -6.00483 -48.13 -201.994 94.8194 -76.4326 53.2602 -66.9672 PRESSAVG: 3677600 51.6205 29.5746 20.719 29.5747 0.383776 -11.1184 20.719 -11.1184 -26.5819 GPRESSAVG: 3677600 53.257 28.9506 20.827 29.8149 -0.422124 -11.9202 18.7441 -10.7341 -27.4584 TIMING: 3677600 CPU: 10656.5, 0.00284511/step Wall: 10656.5, 0.0028451/step, 1.0451 hours remaining, 209.128906 MB of memory in use. ENERGY: 3677600 748.4789 2157.5927 1940.3635 121.1054 -206101.2273 17683.5142 0.0000 0.0000 34348.6904 -149101.4821 299.9757 -183450.1725 -149007.6603 299.7163 -124.2546 -100.7936 556810.8111 8.4741 8.4588 PRESSURE: 3677800 -9.63563 -14.4994 37.615 -14.4996 269.779 -37.4636 37.6143 -37.4641 11.9205 GPRESSURE: 3677800 32.9316 -28.1269 -56.2645 -59.6419 304.493 -61.6347 132.635 -23.3224 37.1101 PRESSAVG: 3677800 -14.4857 19.9777 4.27158 19.9777 98.6195 -9.13127 4.27154 -9.13134 -68.0512 GPRESSAVG: 3677800 -14.0039 20.2972 3.07186 19.0066 98.6139 -11.6202 5.38256 -7.83492 -67.9126 TIMING: 3677800 CPU: 10657, 0.00285386/step Wall: 10657, 0.00285386/step, 1.04816 hours remaining, 209.128906 MB of memory in use. ENERGY: 3677800 724.8866 2097.3603 1950.7197 101.8253 -206349.6571 17898.9115 0.0000 0.0000 34450.8888 -149125.0649 300.8682 -183575.9537 -149036.9660 299.6071 90.6880 124.8450 556316.9718 5.3609 5.5658 PRESSURE: 3678000 -84.2242 -49.6089 -72.7573 -49.6096 -111.767 6.4826 -72.7581 6.4825 -254.718 GPRESSURE: 3678000 -72.9987 -40.2479 10.8804 -13.2354 -49.7495 82.1773 -55.3851 67.9842 -237.658 PRESSAVG: 3678000 20.2082 -50.9196 -1.37198 -50.9199 14.6774 29.231 -1.372 29.231 -72.0565 GPRESSAVG: 3678000 19.2604 -50.7871 -0.598744 -51.897 14.8083 30.742 -0.312229 27.987 -71.644 TIMING: 3678000 CPU: 10657.6, 0.00285999/step Wall: 10657.6, 0.00285998/step, 1.05025 hours remaining, 209.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3678000 752.1013 2114.5691 1953.2048 132.9993 -205545.3999 17415.3131 0.0000 0.0000 33880.2072 -149297.0052 295.8843 -183177.2124 -149196.7371 299.0681 -150.2364 -120.1354 557714.1657 -12.3903 -12.5251 PRESSURE: 3678200 113.802 -40.6796 -45.4369 -40.6792 187.154 56.085 -45.435 56.0856 -140.281 GPRESSURE: 3678200 208.081 -47.3114 -39.9917 -50.341 188.699 122.224 37.949 41.7602 -120.183 PRESSAVG: 3678200 -3.51189 -18.3912 16.5718 -18.3913 -52.7104 -40.0019 16.5717 -40.002 39.2042 GPRESSAVG: 3678200 -3.23059 -20.9011 16.9033 -17.0498 -52.8347 -39.6724 16.813 -40.8113 38.7635 TIMING: 3678200 CPU: 10658.2, 0.00285768/step Wall: 10658.2, 0.00285768/step, 1.04924 hours remaining, 209.128906 MB of memory in use. ENERGY: 3678200 740.0839 2116.4183 1923.4964 117.7836 -206247.7171 17751.5160 0.0000 0.0000 34369.4424 -149228.9764 300.1569 -183598.4188 -149134.9305 299.7161 53.5584 92.1988 557461.0905 -5.6727 -5.7673 PRESSURE: 3678400 -189.895 -107.731 54.1102 -107.73 -188.943 54.2463 54.1101 54.2448 -127.891 GPRESSURE: 3678400 -194.65 -117.659 17.0432 -101.04 -136.47 -10.8225 18.4516 81.0627 -90.1537 PRESSAVG: 3678400 -11.2001 -58.8912 -10.7027 -58.8912 22.0042 5.33688 -10.7027 5.33681 -22.3376 GPRESSAVG: 3678400 -11.1536 -56.1745 -10.222 -60.5954 22.3279 5.73232 -12.8904 3.86569 -22.4883 TIMING: 3678400 CPU: 10658.8, 0.00287065/step Wall: 10658.8, 0.00287065/step, 1.05385 hours remaining, 209.128906 MB of memory in use. ENERGY: 3678400 779.3528 2080.5849 1964.0967 123.9961 -206119.6845 17614.6089 0.0000 0.0000 34310.4555 -149246.5895 299.6417 -183557.0451 -149145.2251 299.2398 -168.9093 -140.4246 557493.9288 -3.8445 -3.7714 PRESSURE: 3678600 -138.397 21.2207 62.0056 21.2212 -222.29 -100.849 62.0061 -100.848 -160.984 GPRESSURE: 3678600 -114.246 -25.9343 159.933 35.123 -214.44 -139.351 36.468 14.9316 -89.0584 PRESSAVG: 3678600 -60.9734 -44.5907 33.565 -44.5908 -45.3793 -44.0906 33.565 -44.0906 82.8663 GPRESSAVG: 3678600 -61.2567 -42.4337 31.8582 -43.2287 -45.0618 -45.6262 35.7497 -41.1776 82.7647 TIMING: 3678600 CPU: 10659.3, 0.00287688/step Wall: 10659.3, 0.00287688/step, 1.05597 hours remaining, 209.128906 MB of memory in use. ENERGY: 3678600 735.3022 2125.7348 1972.1157 109.5668 -206145.0476 17659.0200 0.0000 0.0000 33998.4286 -149544.8795 296.9167 -183543.3081 -149451.7675 298.7136 -173.8904 -139.2480 557030.3150 -7.8288 -7.8513 PRESSURE: 3678800 -219.419 93.75 -3.98027 93.7507 61.4925 -138.421 -3.98025 -138.42 94.592 GPRESSURE: 3678800 -121.65 147.987 34.2191 59.3679 67.2053 -83.4034 -45.2566 -56.0208 94.3778 PRESSAVG: 3678800 -26.8565 1.31377 36.2054 1.3138 39.3836 -8.71281 36.2054 -8.71276 16.6533 GPRESSAVG: 3678800 -26.5399 -1.66808 37.374 2.57154 39.197 -9.24594 35.1604 -8.13749 15.7557 TIMING: 3678800 CPU: 10659.9, 0.00289892/step Wall: 10659.9, 0.00289892/step, 1.0639 hours remaining, 209.128906 MB of memory in use. ENERGY: 3678800 738.5572 2052.2037 1927.4241 107.4733 -206275.9873 17792.7030 0.0000 0.0000 34156.8531 -149500.7729 298.3003 -183657.6260 -149394.1848 298.8665 -21.1117 13.3111 557077.8656 9.7268 9.4709 PRESSURE: 3679000 198.168 -85.7934 -99.477 -85.795 -40.1574 67.2027 -99.4771 67.2031 169.854 GPRESSURE: 3679000 226.673 -131.442 -20.9436 -41.2163 -41.5463 128.761 -127.729 9.2242 236.869 PRESSAVG: 3679000 -31.0325 -51.9074 24.4665 -51.9075 -8.10647 -44.6838 24.4665 -44.6837 48.9817 GPRESSAVG: 3679000 -31.8032 -52.308 25.5971 -53.2243 -8.99734 -41.2721 24.9121 -46.352 50.8012 TIMING: 3679000 CPU: 10660.5, 0.00287685/step Wall: 10660.5, 0.00287685/step, 1.05564 hours remaining, 209.128906 MB of memory in use. ENERGY: 3679000 715.2665 2086.4088 1970.5858 118.7695 -206087.6948 17805.6362 0.0000 0.0000 34094.8786 -149296.1494 297.7591 -183391.0280 -149194.5015 298.4735 109.2882 140.6651 557247.6398 3.2809 3.3335 PRESSURE: 3679200 -41.6193 11.6687 -125.221 11.6685 76.8361 -74.3355 -125.223 -74.3347 149.228 GPRESSURE: 3679200 -0.588358 -41.1038 -102.863 73.895 104.311 -146.13 -146.15 -87.346 179.058 PRESSAVG: 3679200 0.693866 -38.3675 15.5543 -38.3675 -14.4437 -37.7892 15.5543 -37.789 -2.87483 GPRESSAVG: 3679200 2.59913 -37.2618 14.1312 -38.2475 -15.4511 -40.6191 17.1888 -37.4343 -3.08702 TIMING: 3679200 CPU: 10661.1, 0.0028777/step Wall: 10661.1, 0.0028777/step, 1.0558 hours remaining, 209.128906 MB of memory in use. ENERGY: 3679200 740.8862 2099.0653 1935.5253 113.1059 -206376.2520 17926.8188 0.0000 0.0000 34190.2341 -149370.6165 298.5918 -183560.8506 -149277.2197 298.9416 61.4814 94.2600 557533.8733 -5.5416 -5.3130 PRESSURE: 3679400 48.4792 -134.474 -69.2323 -134.472 -65.4717 30.0726 -69.2321 30.0731 -64.2169 GPRESSURE: 3679400 28.6426 -177.311 -46.9941 -151.952 -3.99805 58.3448 -182.419 -38.8623 -17.9767 PRESSAVG: 3679400 -49.9887 6.41498 22.0555 6.41503 19.7495 -20.2865 22.0555 -20.2865 -27.4815 GPRESSAVG: 3679400 -50.3876 6.7274 22.3329 7.11946 20.8878 -18.0235 23.0019 -18.755 -28.0235 TIMING: 3679400 CPU: 10661.6, 0.00287256/step Wall: 10661.6, 0.00287256/step, 1.05375 hours remaining, 209.128906 MB of memory in use. ENERGY: 3679400 745.2644 2049.1887 1940.3336 118.8532 -206773.5962 18008.8189 0.0000 0.0000 34429.3367 -149481.8007 300.6800 -183911.1374 -149381.8276 298.7319 -27.0698 2.2226 557926.0914 -19.2402 -19.1744 PRESSURE: 3679600 83.9478 -66.4512 -198.638 -66.4519 29.2493 -4.93772 -198.638 -4.93553 219.155 GPRESSURE: 3679600 95.7981 34.5666 -155.046 -68.8275 69.3796 -9.18965 -290.082 -42.2974 272.12 PRESSAVG: 3679600 49.4553 -52.2982 -6.95786 -52.2983 -55.7568 4.85045 -6.9579 4.85054 7.06811 GPRESSAVG: 3679600 48.3582 -52.6719 -9.35591 -53.6042 -55.868 3.53253 -6.85826 5.35143 8.22957 TIMING: 3679600 CPU: 10662.2, 0.00290178/step Wall: 10662.2, 0.00290178/step, 1.06431 hours remaining, 209.128906 MB of memory in use. ENERGY: 3679600 772.8259 2021.0541 1936.0412 111.8791 -206380.9361 17990.9192 0.0000 0.0000 34252.3903 -149295.8262 299.1346 -183548.2165 -149197.4287 299.3587 110.7840 145.7660 556692.7838 0.2555 0.2399 PRESSURE: 3679800 -97.5986 174.67 -99.0804 174.672 -80.363 -55.1564 -99.0805 -55.1567 -237.982 GPRESSURE: 3679800 -83.3919 159.922 -30.5249 150.896 -30.7296 -128.306 -160.971 -20.9959 -199.901 PRESSAVG: 3679800 -14.822 18.3314 -13.7558 18.3314 -45.4461 11.7215 -13.7558 11.7215 52.5038 GPRESSAVG: 3679800 -14.1909 17.2244 -13.543 18.2851 -45.1666 11.8745 -16.163 8.85062 51.9745 TIMING: 3679800 CPU: 10662.8, 0.00290775/step Wall: 10662.8, 0.00290775/step, 1.06634 hours remaining, 209.128906 MB of memory in use. ENERGY: 3679800 743.8215 2049.9755 1934.5703 120.3511 -206134.5821 17517.8035 0.0000 0.0000 34423.8426 -149344.2177 300.6320 -183768.0603 -149242.0228 299.1913 -138.6479 -104.6743 555899.8584 -2.5881 -2.4610 PRESSURE: 3680000 153.667 -282.695 137.771 -282.696 -207.517 -144.008 137.772 -144.006 -16.0322 GPRESSURE: 3680000 192.568 -272.498 162.025 -263.977 -175.588 -154.757 120.754 -125.432 8.8169 PRESSAVG: 3680000 -8.8717 31.4334 9.8512 31.4334 -21.3466 6.3695 9.85115 6.3694 29.878 GPRESSAVG: 3680000 -9.96308 32.082 12.5223 31.3993 -20.9931 4.70978 7.94141 8.77689 30.9651 TIMING: 3680000 CPU: 10663.4, 0.00291756/step Wall: 10663.4, 0.00291756/step, 1.06977 hours remaining, 209.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3680000 773.6304 2086.4048 1911.9743 112.3544 -206378.5139 17757.3289 0.0000 0.0000 34325.4202 -149411.4009 299.7724 -183736.8211 -149316.7530 299.1140 -23.2941 8.5990 554816.0901 -0.1134 0.0030 PRESSURE: 3680200 27.3953 40.1841 -34.8957 40.1841 -18.8558 50.3662 -34.8948 50.3667 -65.818 GPRESSURE: 3680200 22.8034 -13.9571 -68.701 67.1998 21.2066 28.4865 -54.8632 53.8891 -15.2464 PRESSAVG: 3680200 8.15408 12.6826 16.5256 12.6826 4.46881 -30.9975 16.5256 -30.9973 10.6829 GPRESSAVG: 3680200 9.46876 13.3435 14.6062 12.8602 2.94148 -29.2267 18.9226 -31.6832 10.3551 TIMING: 3680200 CPU: 10664, 0.00288481/step Wall: 10664, 0.00288481/step, 1.0576 hours remaining, 209.128906 MB of memory in use. ENERGY: 3680200 717.9580 2083.2603 1925.0464 111.2653 -206220.2622 17752.2359 0.0000 0.0000 34425.1502 -149205.3461 300.6434 -183630.4963 -149111.6921 298.7985 -19.0928 9.5879 556768.0509 7.7686 7.5885 LDB: ============= START OF LOAD BALANCING ============== 10667.3 LDB: ============== END OF LOAD BALANCING =============== 10667.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10667.3 LDB: ============= START OF LOAD BALANCING ============== 10667.6 LDB: Largest compute 4792 load 0.025741 is 21.8% of average load 0.118106 LDB: Average compute 0.001732 is 1.5% of average load 0.118106 LDB: TIME 10667.6 LOAD: AVG 0.118106 MAX 0.180066 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 10667.6 LOAD: AVG 0.118106 MAX 0.180066 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: TIME 10667.6 LOAD: AVG 0.118106 MAX 0.180066 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10667.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10667.6 PRESSURE: 3680400 322.549 -73.8492 11.9524 -73.8495 111.695 -65.9231 11.9526 -65.9225 -229.625 GPRESSURE: 3680400 377.019 -88.2805 67.8361 -97.7773 122.089 14.8735 -64.5987 -147.564 -196.489 PRESSAVG: 3680400 78.9027 -37.0807 -31.5462 -37.0806 -24.933 21.6887 -31.5462 21.6887 -9.83481 GPRESSAVG: 3680400 78.3409 -37.5251 -31.1984 -36.4419 -24.6552 20.1285 -30.5415 23.0586 -9.98685 TIMING: 3680400 CPU: 10664.5, 0.00293388/step Wall: 10664.5, 0.00293388/step, 1.07543 hours remaining, 212.273438 MB of memory in use. ENERGY: 3680400 732.0128 2074.4725 1936.8687 114.9264 -206289.1100 17957.6816 0.0000 0.0000 34365.8779 -149107.2701 300.1258 -183473.1480 -149004.8022 299.1272 68.2063 100.8730 556545.6403 14.7116 14.5663 PRESSURE: 3680600 -119.454 67.0178 -9.08135 67.0177 -134.782 69.8437 -9.08161 69.8418 -63.9903 GPRESSURE: 3680600 -63.2371 72.2926 56.692 99.8755 -87.4364 104.509 -35.644 92.5871 -67.7877 PRESSAVG: 3680600 26.8946 4.44236 19.9307 4.44231 88.4057 -8.11999 19.9307 -8.12001 -126.85 GPRESSAVG: 3680600 27.5442 4.49315 20.2327 4.90737 88.0645 -6.29511 19.4284 -10.3582 -126.749 TIMING: 3680600 CPU: 10665.1, 0.00286797/step Wall: 10665.1, 0.00286797/step, 1.05111 hours remaining, 212.273438 MB of memory in use. ENERGY: 3680600 744.4141 2107.5560 1924.8475 120.6769 -206044.5102 17600.1874 0.0000 0.0000 34277.6204 -149269.2080 299.3550 -183546.8284 -149178.4687 298.9381 -106.0754 -72.8204 556998.9559 -3.8500 -3.7134 PRESSURE: 3680800 -109.835 -9.24305 83.1526 -9.24242 -34.1746 -133.231 83.1532 -133.229 219.975 GPRESSURE: 3680800 -95.0382 -92.5486 76.457 153.835 26.0363 -121.661 90.0651 -69.6331 247.274 PRESSAVG: 3680800 21.9392 41.3495 55.5248 41.3495 -46.6207 56.8728 55.5248 56.8728 16.2511 GPRESSAVG: 3680800 22.1681 40.6975 55.3405 40.592 -44.652 56.5807 54.7772 57.7537 14.1843 TIMING: 3680800 CPU: 10665.7, 0.00288716/step Wall: 10665.7, 0.00288716/step, 1.05798 hours remaining, 212.273438 MB of memory in use. ENERGY: 3680800 734.3472 2027.0894 1922.5739 111.6591 -206452.1332 17894.1262 0.0000 0.0000 34468.5186 -149293.8189 301.0221 -183762.3375 -149191.6145 299.3655 25.3217 59.4241 555601.5013 -2.8102 -2.7665 PRESSURE: 3681000 112.141 -2.97626 79.1911 -2.97473 196.033 30.5831 79.1909 30.5815 95.4598 GPRESSURE: 3681000 128.128 88.5604 111.691 0.206035 292.172 106.493 35.3929 -7.45236 93.2651 PRESSAVG: 3681000 -68.4336 -28.7588 -18.6189 -28.7588 80.5573 2.28582 -18.6189 2.28571 -49.7422 GPRESSAVG: 3681000 -67.6748 -26.5589 -19.9019 -28.2748 79.27 1.3472 -16.9268 1.53422 -48.4551 TIMING: 3681000 CPU: 10666.3, 0.00286681/step Wall: 10666.3, 0.00286681/step, 1.05037 hours remaining, 212.273438 MB of memory in use. ENERGY: 3681000 707.6118 2085.0961 1946.2303 125.8059 -206240.2811 17896.4093 0.0000 0.0000 34270.6859 -149208.4418 299.2944 -183479.1278 -149110.3751 299.2225 134.5448 171.1884 556880.4779 -12.5395 -12.2867 PRESSURE: 3681200 72.4524 115.115 -23.7993 115.115 155.915 244.071 -23.8007 244.072 -165.355 GPRESSURE: 3681200 118.215 39.2194 11.5605 198.559 203.02 214.88 -33.8801 167.596 -156.425 PRESSAVG: 3681200 -16.6534 32.3421 51.4138 32.3421 1.76353 -3.80621 51.4138 -3.80624 -38.3631 GPRESSAVG: 3681200 -17.7299 31.9045 53.7949 32.3868 2.7377 -2.69545 50.2438 -3.45654 -38.46 TIMING: 3681200 CPU: 10666.8, 0.00286478/step Wall: 10666.8, 0.00286478/step, 1.04947 hours remaining, 212.273438 MB of memory in use. ENERGY: 3681200 766.0268 2095.6512 1910.3955 111.9829 -206557.0161 18059.9851 0.0000 0.0000 34198.5831 -149414.3915 298.6647 -183612.9745 -149323.3465 299.8473 21.0040 54.9369 557502.5365 -17.7510 -17.8174 PRESSURE: 3681400 269.565 -73.9022 -52.7296 -73.9024 164.469 -12.085 -52.7296 -12.0828 278.494 GPRESSURE: 3681400 300.896 -3.48161 -75.1941 -98.0691 212.74 -7.60666 -60.345 37.8158 283.814 PRESSAVG: 3681400 -1.50837 -16.1701 -0.471713 -16.1701 -4.02482 -33.9647 -0.471622 -33.9646 -49.1549 GPRESSAVG: 3681400 -1.2178 -18.1995 -1.60452 -14.5349 -4.35705 -32.9044 -1.67934 -32.9471 -49.4202 TIMING: 3681400 CPU: 10667.4, 0.00289756/step Wall: 10667.4, 0.00289756/step, 1.06131 hours remaining, 212.273438 MB of memory in use. ENERGY: 3681400 718.2702 2110.0936 1897.0384 91.2776 -207036.0034 18339.0198 0.0000 0.0000 34475.6782 -149404.6257 301.0847 -183880.3038 -149307.1848 298.2802 237.5094 265.8164 556341.1395 -18.2294 -18.3317 PRESSURE: 3681600 13.4365 -39.1138 10.1918 -39.1146 -134.137 -43.3099 10.1914 -43.3094 -232.982 GPRESSURE: 3681600 25.3864 -38.2943 -22.931 6.39994 -50.9823 -145.853 34.6986 33.0116 -238.086 PRESSAVG: 3681600 44.4498 -56.82 44.9818 -56.8201 -62.7631 13.895 44.9818 13.8949 -18.375 GPRESSAVG: 3681600 44.2909 -54.1773 42.953 -58.89 -62.8091 12.0773 46.2872 14.1407 -18.4927 TIMING: 3681600 CPU: 10668, 0.00288324/step Wall: 10668, 0.00288324/step, 1.05591 hours remaining, 212.273438 MB of memory in use. ENERGY: 3681600 752.6164 2051.3952 1953.0738 125.7868 -206096.4938 17692.1988 0.0000 0.0000 34204.4875 -149316.9353 298.7163 -183521.4228 -149226.9289 298.7301 -117.8943 -87.8939 557884.5745 -12.2294 -12.3370 PRESSURE: 3681800 283.456 -131.815 209.01 -131.816 142.545 -189.87 209.012 -189.87 114.999 GPRESSURE: 3681800 292.656 -221.732 134.259 -148.506 152.786 -139.725 269.352 -201.728 187.305 PRESSAVG: 3681800 30.2135 10.5912 49.3507 10.5911 28.9583 -9.07665 49.3506 -9.07671 -53.4945 GPRESSAVG: 3681800 29.8601 9.03907 51.1945 10.4823 29.2858 -8.42544 49.9292 -7.91252 -52.6622 TIMING: 3681800 CPU: 10668.6, 0.00286573/step Wall: 10668.6, 0.00286573/step, 1.04933 hours remaining, 212.273438 MB of memory in use. ENERGY: 3681800 718.5966 2107.6466 1923.5923 111.5287 -206908.7193 18349.7220 0.0000 0.0000 34234.7888 -149462.8442 298.9809 -183697.6331 -149369.4230 299.1906 180.3333 210.9159 558478.7163 1.8924 2.1613 PRESSURE: 3682000 -185.726 108.234 -99.883 108.233 -256.609 -153.408 -99.8828 -153.408 124.473 GPRESSURE: 3682000 -180.898 77.7029 -88.946 108.638 -217.211 -126.863 -79.9768 -172.252 174.225 PRESSAVG: 3682000 -8.56985 -2.55492 23.7473 -2.55505 -34.9442 1.08839 23.7472 1.08849 25.2664 GPRESSAVG: 3682000 -7.35557 -2.57951 21.7899 -2.09193 -34.8976 1.59609 23.1572 -1.47992 24.9686 TIMING: 3682000 CPU: 10669.1, 0.00285075/step Wall: 10669.1, 0.00285075/step, 1.04369 hours remaining, 212.273438 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: 3682000 756.4502 2026.2548 1914.5149 108.1863 -206509.7310 17869.0488 0.0000 0.0000 34317.2485 -149518.0275 299.7011 -183835.2761 -149415.7454 298.6689 -105.9538 -74.6279 558237.8186 -6.0826 -5.7615 PRESSURE: 3682200 18.8218 -13.2731 90.379 -13.2726 -145.103 -51.7852 90.3794 -51.7847 15.54 GPRESSURE: 3682200 47.1942 62.5002 50.9152 -53.3116 -103.2 -35.6587 159.659 -32.1141 35.8589 PRESSAVG: 3682200 -29.6128 35.424 35.8628 35.4241 13.4227 -45.0835 35.8628 -45.0836 5.47087 GPRESSAVG: 3682200 -29.9242 35.8764 37.9007 36.6229 12.4119 -44.6876 35.8514 -43.3842 6.19592 TIMING: 3682200 CPU: 10669.7, 0.00288297/step Wall: 10669.7, 0.00288297/step, 1.05533 hours remaining, 212.273438 MB of memory in use. ENERGY: 3682200 679.9534 2090.1912 1926.4723 117.7544 -206163.9540 17737.5164 0.0000 0.0000 34271.5190 -149340.5474 299.3017 -183612.0664 -149242.8638 298.0950 -36.9138 -6.7155 557751.0128 -3.5731 -3.7721 PRESSURE: 3682400 55.3842 68.1879 252.775 68.1876 -29.8572 3.44475 252.775 3.44385 -137.371 GPRESSURE: 3682400 98.3871 105.822 181.197 31.4722 7.29906 46.6784 237.756 -68.4475 -115.598 PRESSAVG: 3682400 -19.9208 36.954 53.977 36.954 -77.7604 -2.90012 53.9769 -2.90008 64.3373 GPRESSAVG: 3682400 -19.6292 37.3625 53.6483 35.7883 -76.9911 -4.6657 53.9487 -1.75794 63.4171 TIMING: 3682400 CPU: 10670.3, 0.00290032/step Wall: 10670.3, 0.00290032/step, 1.06152 hours remaining, 212.273438 MB of memory in use. ENERGY: 3682400 730.8719 2089.9316 1933.4059 111.4062 -206450.7287 18060.4138 0.0000 0.0000 34150.6203 -149374.0792 298.2459 -183524.6994 -149278.3843 299.5450 -37.2815 -3.3040 558791.8851 -11.1147 -11.0678 PRESSURE: 3682600 71.7122 -69.2108 -10.639 -69.2107 -118.559 -2.35949 -10.6395 -2.36022 138.497 GPRESSURE: 3682600 110.233 -89.5395 9.88461 -6.38059 -71.6677 -4.574 16.7714 -6.55709 150.806 PRESSAVG: 3682600 31.1198 16.6552 -12.4028 16.6551 -36.4265 -22.2074 -12.4028 -22.2075 -36.5846 GPRESSAVG: 3682600 30.921 16.2208 -10.6915 17.2447 -37.118 -22.4328 -11.4496 -21.9124 -36.4312 TIMING: 3682600 CPU: 10670.9, 0.00289788/step Wall: 10670.9, 0.00289788/step, 1.06046 hours remaining, 212.273438 MB of memory in use. ENERGY: 3682600 738.2187 2057.4236 1960.5487 112.7306 -206270.6514 17739.8520 0.0000 0.0000 34158.7103 -149503.1675 298.3165 -183661.8778 -149407.3653 298.5908 30.5499 63.1237 556962.7667 -13.9637 -14.2094 PRESSURE: 3682800 234.274 47.0311 -0.0893524 47.0299 171.058 -22.979 -0.0886907 -22.9787 -47.2221 GPRESSURE: 3682800 230.259 0.613179 -1.84812 45.097 286.65 -22.2393 137.682 -71.1859 -68.5053 PRESSAVG: 3682800 73.8629 31.9206 10.5234 31.9206 -22.7666 -22.5684 10.5234 -22.5684 -55.6402 GPRESSAVG: 3682800 73.6279 32.3742 7.72157 31.4257 -21.8463 -21.5369 10.7635 -26.7173 -55.9144 TIMING: 3682800 CPU: 10671.5, 0.00286942/step Wall: 10671.5, 0.00286942/step, 1.04989 hours remaining, 212.273438 MB of memory in use. ENERGY: 3682800 721.8971 2022.3332 1923.9360 123.6320 -206374.3662 17955.9914 0.0000 0.0000 34257.8535 -149368.7229 299.1824 -183626.5764 -149271.5681 298.5610 119.3701 149.4679 556516.6516 -1.5146 -1.3776 PRESSURE: 3683000 -185.217 36.0789 -6.70549 36.0782 128.505 134.778 -6.70423 134.776 52.1358 GPRESSURE: 3683000 -132.158 -52.3807 -46.9724 81.3642 153.531 89.5776 33.4954 23.2692 66.7237 PRESSAVG: 3683000 -16.2652 19.9055 4.13016 19.9054 -14.1218 -16.8725 4.13021 -16.8725 -9.47104 GPRESSAVG: 3683000 -15.7064 20.555 4.2634 19.6363 -14.4294 -16.9061 2.00674 -16.1407 -10.002 TIMING: 3683000 CPU: 10672, 0.00288558/step Wall: 10672, 0.00288558/step, 1.05564 hours remaining, 212.273438 MB of memory in use. ENERGY: 3683000 732.6411 2100.1964 1929.9824 132.8664 -206635.0224 17975.7601 0.0000 0.0000 34419.8364 -149343.7396 300.5970 -183763.5761 -149249.8551 298.3424 -1.5257 29.3653 557351.8551 -13.2860 -13.3793 PRESSURE: 3683200 -196.913 -33.8869 107.792 -33.8864 -132.311 -280.884 107.794 -280.884 142.068 GPRESSURE: 3683200 -151.938 -37.4371 73.6535 -74.1816 -101.358 -264.391 80.6039 -239.606 159.555 PRESSAVG: 3683200 14.9456 13.5507 15.2527 13.5506 6.55348 -31.6375 15.2527 -31.6375 -34.0222 GPRESSAVG: 3683200 13.844 12.6805 15.538 13.0465 6.48503 -30.3193 17.7353 -32.2468 -32.786 TIMING: 3683200 CPU: 10672.6, 0.00286016/step Wall: 10672.6, 0.00286016/step, 1.04618 hours remaining, 212.273438 MB of memory in use. ENERGY: 3683200 746.5622 2047.8339 1929.1989 117.9559 -206214.0516 17854.2834 0.0000 0.0000 34276.6972 -149241.5202 299.3469 -183518.2174 -149153.9709 299.3388 -62.3856 -31.2470 557606.8674 -4.1744 -4.1523 PRESSURE: 3683400 103.8 -59.7086 99.5219 -59.7094 252.505 69.2027 99.5221 69.2016 260.856 GPRESSURE: 3683400 103.227 -57.9396 130.816 -79.3184 319.457 51.1349 100.414 -42.2835 277.711 PRESSAVG: 3683400 -6.18191 22.8108 -47.5277 22.8108 42.3023 34.274 -47.5278 34.2739 -16.4647 GPRESSAVG: 3683400 -4.67962 22.1832 -47.6167 25.3153 42.4789 34.0934 -47.8827 33.662 -17.4818 TIMING: 3683400 CPU: 10673.2, 0.00285701/step Wall: 10673.2, 0.00285701/step, 1.04487 hours remaining, 212.273438 MB of memory in use. ENERGY: 3683400 768.0817 2031.5257 1962.1539 120.7511 -206535.3145 18270.9766 0.0000 0.0000 34173.6985 -149208.1270 298.4474 -183381.8256 -149132.0349 299.2149 205.7205 233.4647 556216.8597 6.5519 6.7725 PRESSURE: 3683600 13.8985 61.1095 23.825 61.1094 -108.661 -54.7922 23.8262 -54.7915 24.1972 GPRESSURE: 3683600 55.3231 31.8253 63.558 31.6847 -102.267 -10.5406 -3.7249 -27.0861 65.6365 PRESSAVG: 3683600 -28.7628 45.0289 -1.33311 45.0289 122.236 -38.2348 -1.33316 -38.2349 -19.452 GPRESSAVG: 3683600 -29.905 45.3584 -1.43501 42.8831 123.229 -38.5061 -2.17803 -37.6294 -19.086 TIMING: 3683600 CPU: 10673.7, 0.00288182/step Wall: 10673.7, 0.00288182/step, 1.05378 hours remaining, 212.273438 MB of memory in use. ENERGY: 3683600 705.8831 2082.0730 1932.9782 113.0343 -205721.9368 17510.0965 0.0000 0.0000 34169.3448 -149208.5268 298.4094 -183377.8717 -149115.6403 299.2408 -23.5218 6.2307 557187.4417 24.6738 24.7459 PRESSURE: 3683800 -81.1972 20.7928 38.6639 20.7929 85.302 -128.59 38.6633 -128.59 -153.998 GPRESSURE: 3683800 -28.9863 28.5386 19.9493 8.41163 46.7594 -153.447 -51.3946 -46.8711 -65.1406 PRESSAVG: 3683800 -43.5664 64.1673 54.829 64.1672 58.1632 55.4509 54.8289 55.451 -23.2568 GPRESSAVG: 3683800 -41.5433 64.0709 54.7271 64.9417 55.8409 55.4585 54.6591 57.4127 -22.8891 TIMING: 3683800 CPU: 10674.3, 0.00288543/step Wall: 10674.3, 0.00288543/step, 1.05495 hours remaining, 212.273438 MB of memory in use. ENERGY: 3683800 743.4272 2087.5811 1945.0201 99.1300 -205882.1542 17672.4437 0.0000 0.0000 34234.3911 -149100.1609 298.9775 -183334.5520 -148999.0058 299.3182 -49.9645 -15.7892 557486.0203 -2.8867 -2.8638 PRESSURE: 3684000 -195.113 -3.32663 89.8326 -3.32614 -21.2524 220.518 89.8326 220.519 -123.811 GPRESSURE: 3684000 -142.609 -21.6733 98.743 -42.1459 -50.5429 196.752 57.1808 163.362 -44.9393 PRESSAVG: 3684000 -64.6658 -56.2766 24.1338 -56.2765 66.1432 -8.20815 24.1339 -8.20827 -17.491 GPRESSAVG: 3684000 -66.8054 -56.3217 25.6079 -55.4789 66.3457 -7.74166 25.1666 -9.66172 -16.1079 TIMING: 3684000 CPU: 10674.9, 0.00288023/step Wall: 10674.9, 0.00288023/step, 1.05288 hours remaining, 212.273438 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: 3684000 779.6884 2042.2026 1926.4912 110.4722 -205900.0681 17662.0522 0.0000 0.0000 34209.2831 -149169.8785 298.7582 -183379.1616 -149072.2225 299.0333 -113.3921 -79.3638 558004.8182 -5.3379 -5.5225 PRESSURE: 3684200 -14.919 -36.0278 42.4064 -36.0275 97.1125 86.0904 42.4053 86.0915 228.089 GPRESSURE: 3684200 36.2801 11.051 -15.4447 -49.7354 122.24 75.3859 105.88 -59.9977 254.982 PRESSAVG: 3684200 20.7028 -2.09267 -0.460296 -2.09261 15.755 36.1762 -0.460338 36.1763 -14.74 GPRESSAVG: 3684200 20.4247 -2.09275 -2.75543 -2.14847 16.9175 35.0254 0.712016 36.6195 -15.4221 TIMING: 3684200 CPU: 10675.5, 0.00288753/step Wall: 10675.5, 0.00288753/step, 1.05539 hours remaining, 212.273438 MB of memory in use. ENERGY: 3684200 734.7453 2073.4553 1924.0619 125.6112 -206391.4912 18036.3867 0.0000 0.0000 34198.9336 -149298.2972 298.6678 -183497.2308 -149195.4077 299.1733 103.4275 137.8340 557645.8886 7.2393 7.3067 LDB: ============= START OF LOAD BALANCING ============== 10678.9 LDB: ============== END OF LOAD BALANCING =============== 10678.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10678.9 LDB: ============= START OF LOAD BALANCING ============== 10679.2 LDB: Largest compute 4792 load 0.025071 is 21.2% of average load 0.118071 LDB: Average compute 0.001716 is 1.5% of average load 0.118071 LDB: TIME 10679.2 LOAD: AVG 0.118071 MAX 0.182072 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.609 MB LDB: TIME 10679.2 LOAD: AVG 0.118071 MAX 0.182072 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: TIME 10679.2 LOAD: AVG 0.118071 MAX 0.182072 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10679.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10679.2 PRESSURE: 3684400 -148.238 126.477 -39.6525 126.476 -162.592 125.104 -39.652 125.103 34.1329 GPRESSURE: 3684400 -75.9918 221.72 -47.5684 148.649 -172.63 161.496 29.7132 120.337 49.9454 PRESSAVG: 3684400 -42.7862 -15.6798 18.56 -15.6797 -8.80796 31.0389 18.56 31.0387 71.9523 GPRESSAVG: 3684400 -42.6827 -13.1174 20.2918 -16.8398 -9.16072 31.4699 17.9897 31.9432 71.5984 TIMING: 3684400 CPU: 10676.1, 0.00292547/step Wall: 10676.1, 0.00292547/step, 1.0691 hours remaining, 210.347656 MB of memory in use. ENERGY: 3684400 765.1482 2130.1437 1954.0623 128.7736 -206542.1519 17818.4227 0.0000 0.0000 34370.0439 -149375.5574 300.1621 -183745.6013 -149277.2086 298.8941 -92.2323 -66.2255 558944.7507 6.7860 6.5850 PRESSURE: 3684600 -109.266 -65.3778 70.0268 -65.3789 322.579 66.1945 70.028 66.1942 262.202 GPRESSURE: 3684600 -22.6104 33.5054 20.1506 -73.4275 354.137 29.3059 10.8808 83.8316 229.663 PRESSAVG: 3684600 19.6762 19.6984 15.4192 19.6984 -67.3937 -68.1632 15.4192 -68.1632 29.3842 GPRESSAVG: 3684600 20.7202 17.6241 15.3041 18.965 -67.6098 -65.7579 14.6787 -70.7648 28.7492 TIMING: 3684600 CPU: 10676.6, 0.00288133/step Wall: 10676.6, 0.00288133/step, 1.05281 hours remaining, 210.546875 MB of memory in use. ENERGY: 3684600 767.9720 2076.7929 2010.3641 118.4048 -206805.1099 18330.3063 0.0000 0.0000 33935.1771 -149566.0926 296.3643 -183501.2697 -149477.4778 298.2857 158.5050 187.0633 559187.1403 -6.1111 -6.0468 PRESSURE: 3684800 -32.1911 161.925 -21.4459 161.924 88.1991 -56.3962 -21.4465 -56.3974 -94.94 GPRESSURE: 3684800 -32.5836 218.384 21.1122 63.0855 119.14 -57.8467 -61.422 -0.624614 -24.8296 PRESSAVG: 3684800 16.9571 -6.17063 -15.987 -6.17067 -39.0448 -5.5177 -15.9871 -5.5177 26.9349 GPRESSAVG: 3684800 16.3069 -7.35453 -16.0951 -4.477 -38.5909 -7.89183 -15.9208 -4.08125 26.681 TIMING: 3684800 CPU: 10677.2, 0.00289372/step Wall: 10677.2, 0.00289372/step, 1.05717 hours remaining, 210.546875 MB of memory in use. ENERGY: 3684800 758.7459 2131.5527 1941.1031 125.9758 -206854.6326 18032.1297 0.0000 0.0000 34419.6214 -149445.5039 300.5951 -183865.1253 -149344.9689 298.0469 -12.9773 20.5755 559089.0930 1.6157 1.4657 PRESSURE: 3685000 102.389 53.5279 73.7233 53.5273 -155.604 134.79 73.7237 134.79 -198.846 GPRESSURE: 3685000 131.096 36.3258 78.3489 95.3178 -155.127 125.033 67.3782 92.458 -120.634 PRESSAVG: 3685000 20.2845 13.9343 -13.8462 13.9343 29.5822 18.03 -13.8463 18.0299 -20.1295 GPRESSAVG: 3685000 19.5048 15.3431 -14.2125 11.494 29.7466 19.5694 -14.5294 16.6935 -19.5301 TIMING: 3685000 CPU: 10677.8, 0.00287143/step Wall: 10677.8, 0.00287143/step, 1.04887 hours remaining, 210.546875 MB of memory in use. ENERGY: 3685000 763.1506 2058.9066 1939.3296 112.4622 -206328.2300 17795.7326 0.0000 0.0000 34294.4465 -149364.2020 299.5019 -183658.6484 -149262.8400 298.6493 -84.0203 -48.2216 557503.3917 9.9124 9.9071 PRESSURE: 3685200 207.216 -183.435 12.6412 -183.435 16.9337 26.431 12.6403 26.4326 13.6381 GPRESSURE: 3685200 227.582 -270.61 85.0948 -106.722 83.333 98.4482 -38.8522 26.7116 25.8108 PRESSAVG: 3685200 23.8966 39.5626 -38.0665 39.5626 -60.2344 42.096 -38.0666 42.0961 37.0171 GPRESSAVG: 3685200 24.039 39.3853 -37.5291 41.6511 -59.0713 40.3214 -37.5735 43.2839 36.2915 TIMING: 3685200 CPU: 10678.4, 0.00288039/step Wall: 10678.4, 0.00288039/step, 1.05198 hours remaining, 210.546875 MB of memory in use. ENERGY: 3685200 735.3460 2156.3765 1972.3017 113.7929 -206404.0120 18017.3628 0.0000 0.0000 34186.9612 -149221.8710 298.5632 -183408.8322 -149122.1811 298.4624 79.2625 112.2420 556770.7115 0.2264 0.4197 PRESSURE: 3685400 -175.23 -15.2985 7.96055 -15.2982 -107.223 -106.514 7.96133 -106.514 43.4473 GPRESSURE: 3685400 -127.903 -31.9751 41.8449 -80.9293 -95.9881 -62.4025 11.5637 -102.712 92.954 PRESSAVG: 3685400 -18.0435 -2.93893 17.1108 -2.93891 36.6109 -0.456064 17.1107 -0.456141 5.34551 GPRESSAVG: 3685400 -18.1851 -1.79819 16.8911 -4.57191 35.7594 0.244753 17.3225 -0.610826 6.58662 TIMING: 3685400 CPU: 10678.9, 0.00286801/step Wall: 10678.9, 0.00286801/step, 1.0473 hours remaining, 210.546875 MB of memory in use. ENERGY: 3685400 749.5353 2092.4623 1933.9887 116.9790 -206318.9235 17919.1158 0.0000 0.0000 34358.0101 -149148.8324 300.0570 -183506.8425 -149051.3036 299.9345 -79.6688 -43.6458 557993.2979 7.9710 8.0536 PRESSURE: 3685600 -123.774 -83.6698 54.6176 -83.6709 -343.363 141.831 54.6168 141.832 -322.54 GPRESSURE: 3685600 -102.946 -109.332 80.0265 33.5251 -273.958 123.653 -2.8664 119.374 -314.148 PRESSAVG: 3685600 35.9757 64.2822 6.81515 64.2821 -33.2841 55.8638 6.81522 55.8638 -10.896 GPRESSAVG: 3685600 35.9559 61.6977 4.06937 66.657 -33.6246 55.0033 9.46766 56.8066 -10.0776 TIMING: 3685600 CPU: 10679.5, 0.00286073/step Wall: 10679.5, 0.00286073/step, 1.04448 hours remaining, 210.546875 MB of memory in use. ENERGY: 3685600 750.7473 2142.0926 1953.7769 108.9133 -205847.1575 17502.7647 0.0000 0.0000 34057.7376 -149331.1250 297.4347 -183388.8626 -149232.3006 299.2685 -263.2256 -230.3507 558493.0825 -2.7348 -2.5821 PRESSURE: 3685800 131.533 88.5346 -32.5969 88.5337 -26.2789 149.18 -32.5974 149.183 -174.787 GPRESSURE: 3685800 226.783 57.2875 -56.5625 48.2179 -31.0805 157.111 -27.8678 203.012 -169.775 PRESSAVG: 3685800 41.0416 -34.1388 -40.9131 -34.1388 5.48248 43.3866 -40.913 43.3867 -42.3514 GPRESSAVG: 3685800 42.5162 -31.6458 -39.5479 -34.3309 5.29444 44.219 -43.4581 43.85 -43.7775 TIMING: 3685800 CPU: 10680.1, 0.00287156/step Wall: 10680.1, 0.00287156/step, 1.04828 hours remaining, 210.546875 MB of memory in use. ENERGY: 3685800 757.9754 2055.6234 1935.9764 115.3380 -206188.2913 17882.4225 0.0000 0.0000 34036.5646 -149404.3910 297.2498 -183440.9556 -149305.0376 298.6310 -23.1775 8.6425 556757.8472 1.3909 1.3444 PRESSURE: 3686000 -184.087 -131.196 143.607 -131.196 -109.054 -280.137 143.608 -280.138 -261.687 GPRESSURE: 3686000 -131.629 -133.812 89.6654 -68.5703 -116.444 -210.844 221.497 -283.322 -211.752 PRESSAVG: 3686000 21.4249 0.0223748 -2.56679 0.0224123 -13.3011 -8.23562 -2.56667 -8.23557 -24.8419 GPRESSAVG: 3686000 19.8396 -2.49365 -1.07385 -0.103522 -11.9525 -7.25052 -2.20915 -8.40987 -24.2932 TIMING: 3686000 CPU: 10680.7, 0.00288239/step Wall: 10680.7, 0.00288239/step, 1.05207 hours remaining, 210.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3686000 772.8506 2127.2205 1914.6237 111.3566 -206118.7730 17602.7886 0.0000 0.0000 34336.4684 -149253.4647 299.8689 -183589.9331 -149157.5803 299.0649 -184.9424 -153.2749 556857.9927 -5.5727 -5.4687 PRESSURE: 3686200 4.46306 -204.592 82.8464 -204.593 -74.1166 63.0244 82.8457 63.0229 -36.2822 GPRESSURE: 3686200 97.6048 -36.7089 98.8979 -341.777 -31.9089 29.7697 -16.2265 84.4769 -74.7883 PRESSAVG: 3686200 60.2793 -86.9398 -32.609 -86.9397 21.2537 -22.5287 -32.6089 -22.5288 -53.6318 GPRESSAVG: 3686200 61.5063 -85.8976 -32.9656 -85.2655 19.5251 -24.7291 -33.0424 -21.3884 -52.7049 TIMING: 3686200 CPU: 10681.2, 0.00285861/step Wall: 10681.2, 0.00285861/step, 1.04324 hours remaining, 210.546875 MB of memory in use. ENERGY: 3686200 768.3621 2119.8809 1943.0562 115.7491 -206150.2584 17805.9937 0.0000 0.0000 34226.8214 -149170.3950 298.9113 -183397.2165 -149071.7832 299.6645 -35.3119 -3.0308 556256.0260 9.3004 9.4421 PRESSURE: 3686400 -169.033 -36.0261 -20.077 -36.0276 22.5775 -16.7454 -20.0755 -16.7443 -248.884 GPRESSURE: 3686400 -133.927 -24.7847 -41.2775 51.78 70.4303 -43.8067 14.2806 -4.12129 -240.084 PRESSAVG: 3686400 -8.18699 -47.4291 -31.9133 -47.4291 51.3752 -9.59555 -31.9132 -9.59563 -56.6212 GPRESSAVG: 3686400 -8.8478 -47.2662 -30.2108 -50.0675 51.7183 -10.9472 -33.8325 -8.82602 -56.0052 TIMING: 3686400 CPU: 10681.8, 0.00285678/step Wall: 10681.8, 0.00285678/step, 1.04241 hours remaining, 210.546875 MB of memory in use. ENERGY: 3686400 768.8995 2100.6666 1940.6255 116.4833 -206158.8927 17713.6587 0.0000 0.0000 34472.4513 -149046.1078 301.0565 -183518.5591 -148945.3373 299.1075 -131.7797 -101.1938 557893.8862 -4.4777 -4.3782 PRESSURE: 3686600 43.0888 53.3899 -183.735 53.3899 -62.1543 -169.318 -183.735 -169.319 45.864 GPRESSURE: 3686600 57.7941 40.1494 -141.399 19.9931 2.9739 -146.4 -247.341 -229.762 69.3553 PRESSAVG: 3686600 -21.6833 24.5248 -19.934 24.5248 31.4648 -82.5314 -19.934 -82.5315 -5.39904 GPRESSAVG: 3686600 -21.0293 23.1149 -22.1565 25.7001 32.0992 -81.8776 -16.3642 -83.7184 -6.8109 TIMING: 3686600 CPU: 10682.4, 0.00287428/step Wall: 10682.4, 0.00287428/step, 1.04863 hours remaining, 210.546875 MB of memory in use. ENERGY: 3686600 748.6151 2103.1505 1939.8032 122.1207 -206222.1205 17963.3809 0.0000 0.0000 34315.4990 -149029.5513 299.6858 -183345.0503 -148933.6463 300.0790 8.9328 43.3744 556997.7717 1.4608 1.4197 PRESSURE: 3686800 46.4607 -46.2968 -138.814 -46.2965 -221.531 -178.173 -138.814 -178.173 -171.675 GPRESSURE: 3686800 93.6032 5.49165 -192.947 -40.9906 -206.954 -209.338 -152.363 -128.179 -137.031 PRESSAVG: 3686800 34.6986 -16.3066 -7.28556 -16.3066 39.8252 -57.5219 -7.28544 -57.5219 -18.4555 GPRESSAVG: 3686800 33.6594 -14.1414 -6.33112 -18.3261 39.6199 -55.1934 -9.861 -56.0352 -17.2003 TIMING: 3686800 CPU: 10683, 0.0028604/step Wall: 10683, 0.0028604/step, 1.04341 hours remaining, 210.546875 MB of memory in use. ENERGY: 3686800 780.8754 2107.7030 1961.8111 114.1489 -205992.1414 17656.9248 0.0000 0.0000 34377.2524 -148993.4258 300.2251 -183370.6782 -148896.2285 300.1543 -115.5820 -83.4607 558225.1985 18.6895 18.6930 PRESSURE: 3687000 114.254 8.13399 35.688 8.13535 -52.9973 -209.493 35.6897 -209.493 467.572 GPRESSURE: 3687000 183.626 88.0607 91.1604 12.0064 0.71507 -226.989 31.6126 -158.309 450.167 PRESSAVG: 3687000 -27.4435 40.6797 -2.66494 40.6797 59.3599 4.1791 -2.66494 4.17905 -8.02774 GPRESSAVG: 3687000 -27.5766 42.6949 -3.14991 42.0746 60.0521 5.19033 -1.44565 -0.334882 -8.72722 TIMING: 3687000 CPU: 10683.5, 0.00285887/step Wall: 10683.5, 0.00285887/step, 1.04269 hours remaining, 210.546875 MB of memory in use. ENERGY: 3687000 743.5011 2052.8101 1955.7495 115.3644 -206214.7469 17922.4162 0.0000 0.0000 34348.8556 -149076.0499 299.9771 -183424.9055 -148976.1504 300.1262 176.2763 211.5028 557511.2574 7.9629 7.9161 PRESSURE: 3687200 72.685 29.614 112.886 29.612 -25.8853 160.297 112.887 160.296 -22.0094 GPRESSURE: 3687200 96.7344 -59.7038 96.9967 104.25 4.1471 232.183 130.779 157.555 25.5062 PRESSAVG: 3687200 27.2986 42.4946 9.68899 42.4946 -47.7716 -39.3374 9.68905 -39.3374 41.6621 GPRESSAVG: 3687200 27.6991 40.1181 10.9646 42.25 -47.8384 -40.2128 9.06406 -37.8648 40.8449 TIMING: 3687200 CPU: 10684.1, 0.00285735/step Wall: 10684.1, 0.00285735/step, 1.04198 hours remaining, 210.546875 MB of memory in use. ENERGY: 3687200 774.5820 2114.2220 1933.7028 105.0732 -205976.0119 17823.3242 0.0000 0.0000 34143.8894 -149081.2182 298.1871 -183225.1076 -148984.7062 299.8342 8.2635 42.1293 557585.0543 7.0630 6.9019 PRESSURE: 3687400 107.834 -13.6693 41.8922 -13.6693 16.3843 -64.6742 41.892 -64.6743 -129.393 GPRESSURE: 3687400 144.573 -25.7631 -23.8762 -0.509885 13.1643 -34.4985 92.8662 -36.6829 -61.5288 PRESSAVG: 3687400 -3.98033 13.9696 0.29486 13.9696 -2.39281 -30.8397 0.29474 -30.8397 -14.3812 GPRESSAVG: 3687400 -3.50852 13.3741 -2.66255 15.1962 -3.27926 -30.6903 2.92569 -29.9954 -14.6008 TIMING: 3687400 CPU: 10684.7, 0.00286894/step Wall: 10684.7, 0.00286894/step, 1.04605 hours remaining, 210.546875 MB of memory in use. ENERGY: 3687400 758.6341 2068.0699 1939.1106 104.3053 -206487.5352 17979.1293 0.0000 0.0000 34560.6462 -149077.6399 301.8267 -183638.2860 -148974.4577 299.6114 -1.7249 32.0694 557555.2326 -6.9181 -7.1295 PRESSURE: 3687600 68.6897 -112.002 65.3116 -112.001 52.1787 80.8461 65.3113 80.8458 -155.888 GPRESSURE: 3687600 67.5741 -97.4876 66.6101 -105.331 109.198 160.96 132.095 46.6465 -117.701 PRESSAVG: 3687600 36.0321 35.5928 -48.7912 35.5926 -66.3965 4.49441 -48.7911 4.49433 -7.76639 GPRESSAVG: 3687600 35.1688 35.3175 -48.754 36.0812 -64.9192 3.85709 -50.5768 4.67065 -8.14653 TIMING: 3687600 CPU: 10685.3, 0.00288475/step Wall: 10685.3, 0.00288475/step, 1.05165 hours remaining, 210.546875 MB of memory in use. ENERGY: 3687600 738.8316 2046.0136 1933.2366 121.5736 -205943.1444 17674.4653 0.0000 0.0000 34256.5629 -149172.4608 299.1711 -183429.0237 -149084.0805 299.5537 -11.6730 19.6904 556925.5411 -12.7103 -12.6323 PRESSURE: 3687800 -25.0438 71.4178 -42.1265 71.4184 -138.676 -132.876 -42.1265 -132.875 -113.818 GPRESSURE: 3687800 -8.45777 39.566 -14.1513 13.6668 -112.548 -121.48 -37.3185 -128.781 -64.5779 PRESSAVG: 3687800 -41.74 43.2027 8.28755 43.2026 12.3646 4.40894 8.28753 4.40894 87.8782 GPRESSAVG: 3687800 -41.7318 44.4766 8.64399 41.1935 11.6305 3.18153 8.17884 4.09681 88.487 TIMING: 3687800 CPU: 10685.8, 0.00286392/step Wall: 10685.8, 0.00286391/step, 1.0439 hours remaining, 210.546875 MB of memory in use. ENERGY: 3687800 731.9626 2109.6547 1946.8268 114.4731 -205709.0768 17707.6565 0.0000 0.0000 34205.7888 -148892.7143 298.7277 -183098.5031 -148795.9579 299.8741 -92.5126 -61.8611 560122.5969 19.5009 19.4619 PRESSURE: 3688000 -148.708 178.104 76.9402 178.104 -95.0643 -2.55214 76.9406 -2.55225 -111.744 GPRESSURE: 3688000 -147.046 136.734 20.6944 175.753 -79.3394 -56.3263 98.9153 40.3743 -34.6584 PRESSAVG: 3688000 -14.0971 21.2626 -1.70731 21.2627 3.54662 -34.0469 -1.70734 -34.0468 -0.686603 GPRESSAVG: 3688000 -14.1324 22.1623 0.0124035 20.7895 4.80126 -33.4458 -2.79734 -33.9072 -1.80026 TIMING: 3688000 CPU: 10686.4, 0.00284615/step Wall: 10686.4, 0.00284615/step, 1.03726 hours remaining, 210.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3688000 751.2399 2108.0794 1935.9072 111.7532 -205618.0623 17661.0876 0.0000 0.0000 34222.9434 -148827.0516 298.8775 -183049.9950 -148728.9990 299.9514 -118.5053 -87.0147 559772.9810 -3.7457 -3.7105 PRESSURE: 3688200 -93.8913 -76.7333 143.716 -76.7338 -131.563 -34.9247 143.717 -34.9241 -207.446 GPRESSURE: 3688200 -95.4219 -92.0997 114.143 -61.0624 -95.4796 -37.068 104.945 -73.478 -149.554 PRESSAVG: 3688200 16.7429 11.4951 55.4129 11.495 33.9151 -24.0437 55.4128 -24.0437 -14.0033 GPRESSAVG: 3688200 17.651 9.65206 54.8842 12.3032 33.1287 -22.9185 57.2855 -24.7673 -13.3061 TIMING: 3688200 CPU: 10687, 0.00287432/step Wall: 10687, 0.00287432/step, 1.04737 hours remaining, 210.546875 MB of memory in use. ENERGY: 3688200 712.5416 2109.6196 1951.9431 116.3439 -205647.0964 17625.2426 0.0000 0.0000 34227.7985 -148903.6070 298.9199 -183131.4056 -148797.9169 299.9879 -144.3004 -113.4851 559040.8843 12.2182 12.4912 LDB: ============= START OF LOAD BALANCING ============== 10690.4 LDB: ============== END OF LOAD BALANCING =============== 10690.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10690.4 LDB: ============= START OF LOAD BALANCING ============== 10690.6 LDB: Largest compute 4792 load 0.026432 is 22.4% of average load 0.118035 LDB: Average compute 0.001726 is 1.5% of average load 0.118035 LDB: TIME 10690.6 LOAD: AVG 0.118035 MAX 0.179069 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.117 MB LDB: TIME 10690.6 LOAD: AVG 0.118035 MAX 0.179069 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.188 MB LDB: TIME 10690.6 LOAD: AVG 0.118035 MAX 0.179069 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.188 MB LDB: ============== END OF LOAD BALANCING =============== 10690.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10690.7 PRESSURE: 3688400 -28.4825 3.63583 -41.9702 3.63685 -163.266 -0.0415301 -41.9699 -0.0408844 11.4945 GPRESSURE: 3688400 19.0448 -31.1791 -129.646 36.8859 -170.377 111.327 47.7165 -35.6782 80.854 PRESSAVG: 3688400 32.4324 19.6191 -2.27133 19.619 -54.5661 -29.8519 -2.2713 -29.852 19.6476 GPRESSAVG: 3688400 32.2109 20.6396 -3.06646 18.2252 -54.4384 -31.0123 -1.23225 -30.7883 19.9167 TIMING: 3688400 CPU: 10687.6, 0.00293585/step Wall: 10687.6, 0.00293585/step, 1.06963 hours remaining, 210.347656 MB of memory in use. ENERGY: 3688400 704.9039 2058.0609 1960.0494 117.4725 -205619.4976 17473.4065 0.0000 0.0000 34303.7078 -149001.8966 299.5828 -183305.6043 -148903.7755 299.6788 -60.0846 -23.4927 557570.4634 -0.8287 -0.7703 PRESSURE: 3688600 88.9146 -77.8033 2.79104 -77.8041 -25.9431 84.9805 2.78943 84.9815 99.7611 GPRESSURE: 3688600 150.055 -139.766 73.0524 -49.6302 47.3025 45.8612 -34.3608 50.1364 57.7281 PRESSAVG: 3688600 18.109 -47.4171 -45.6824 -47.4171 -15.7051 -31.1586 -45.6824 -31.1586 0.462751 GPRESSAVG: 3688600 18.5845 -47.7658 -45.41 -46.2118 -15.6165 -32.1784 -46.6759 -29.3246 0.253229 TIMING: 3688600 CPU: 10688.1, 0.00286782/step Wall: 10688.1, 0.00286782/step, 1.04468 hours remaining, 210.347656 MB of memory in use. ENERGY: 3688600 735.5618 2132.1628 1906.8031 109.2355 -205942.5270 17790.4740 0.0000 0.0000 34229.3983 -149038.8914 298.9338 -183268.2898 -148940.3736 299.6780 54.2442 85.0286 557259.9222 0.9556 1.0738 PRESSURE: 3688800 113.748 -98.3328 36.4323 -98.3334 -339.057 -163.385 36.4316 -163.383 142.074 GPRESSURE: 3688800 151.594 -124.17 -0.471565 -83.6678 -296.781 -187.906 24.124 -140.89 172.426 PRESSAVG: 3688800 53.8388 7.5662 24.5903 7.56615 -1.91402 -30.0071 24.5903 -30.0071 -59.6634 GPRESSAVG: 3688800 53.1863 7.80631 23.385 7.7419 -2.39162 -29.244 23.3833 -31.3197 -58.6951 TIMING: 3688800 CPU: 10688.7, 0.00288514/step Wall: 10688.7, 0.00288514/step, 1.05083 hours remaining, 210.347656 MB of memory in use. ENERGY: 3688800 759.7967 2026.8971 1963.3186 114.9208 -206000.1031 17736.1001 0.0000 0.0000 34390.1535 -149008.9162 300.3378 -183399.0697 -148920.6930 299.9651 -27.7448 9.0798 556859.7606 -2.5795 -2.6334 PRESSURE: 3689000 -13.8643 -3.71122 -25.504 -3.7126 60.1214 64.3875 -25.505 64.3884 125.516 GPRESSURE: 3689000 8.28016 -14.3052 -57.4623 38.4983 129.736 29.6163 15.23 50.9163 126.495 PRESSAVG: 3689000 35.0967 -26.3726 -30.176 -26.3726 -35.1716 26.9626 -30.1761 26.9626 38.9856 GPRESSAVG: 3689000 34.0861 -26.6044 -29.9256 -27.0308 -33.3921 25.8626 -27.748 26.1079 38.2566 TIMING: 3689000 CPU: 10689.3, 0.00288409/step Wall: 10689.3, 0.00288409/step, 1.05029 hours remaining, 210.347656 MB of memory in use. ENERGY: 3689000 725.3048 2099.2472 1952.5334 115.9029 -206248.9690 17869.2967 0.0000 0.0000 34471.3594 -149015.3245 301.0470 -183486.6840 -148912.8215 300.1296 57.2577 88.1704 557602.8384 12.9702 12.9835 PRESSURE: 3689200 -8.63919 69.8708 66.2682 69.8695 15.2823 25.8974 66.2678 25.8961 -179.736 GPRESSURE: 3689200 12.9952 13.8406 8.34733 111.184 38.2636 11.6841 100.687 52.5164 -134.89 PRESSAVG: 3689200 28.3335 -2.30073 -0.666872 -2.30066 -20.4034 -65.6122 -0.666866 -65.6121 -1.88345 GPRESSAVG: 3689200 29.0905 -2.64774 0.294334 -2.35735 -21.6308 -63.7167 -1.33925 -63.8166 -1.47156 TIMING: 3689200 CPU: 10689.9, 0.00290317/step Wall: 10689.9, 0.00290317/step, 1.05707 hours remaining, 210.347656 MB of memory in use. ENERGY: 3689200 710.5468 2049.4058 1914.9674 108.1409 -205884.0959 17490.5135 0.0000 0.0000 34463.1526 -149147.3690 300.9753 -183610.5216 -149052.6819 300.1736 -57.6978 -27.8771 557127.4414 2.0155 1.9960 PRESSURE: 3689400 72.4072 118.057 38.2991 118.057 -18.6673 -82.4009 38.2988 -82.402 85.075 GPRESSURE: 3689400 112.838 55.6509 84.5594 186.542 -2.71982 -78.2605 -15.6323 -58.2428 131.007 PRESSAVG: 3689400 35.0163 34.297 63.8769 34.2969 -17.7109 17.1392 63.8768 17.1391 3.67754 GPRESSAVG: 3689400 35.1195 34.4481 63.8057 33.7058 -16.7695 16.5956 63.6952 15.6184 2.98197 TIMING: 3689400 CPU: 10690.4, 0.00287674/step Wall: 10690.4, 0.00287674/step, 1.04729 hours remaining, 210.347656 MB of memory in use. ENERGY: 3689400 694.0936 2032.6035 1954.5684 102.0632 -205942.5405 17834.7787 0.0000 0.0000 34217.5203 -149106.9128 298.8301 -183324.4331 -149006.2227 299.9408 46.2716 80.3752 557504.8998 6.9943 7.1107 PRESSURE: 3689600 -120.549 81.6492 -46.903 81.6503 56.5939 38.5934 -46.9027 38.5941 -255.987 GPRESSURE: 3689600 -88.824 73.2959 -42.7304 -23.7581 65.1931 85.5787 -9.39107 -17.0583 -198.486 PRESSAVG: 3689600 -49.0343 101.73 52.8773 101.729 29.4993 56.6834 52.8774 56.6834 41.9497 GPRESSAVG: 3689600 -47.9054 102.638 52.5827 103.279 28.981 56.4612 52.6758 57.1161 41.2117 TIMING: 3689600 CPU: 10691, 0.00289585/step Wall: 10691, 0.00289585/step, 1.05409 hours remaining, 210.347656 MB of memory in use. ENERGY: 3689600 725.4402 2060.0126 1938.9071 112.5531 -206069.6323 17634.4707 0.0000 0.0000 34192.4440 -149405.8046 298.6111 -183598.2485 -149314.0059 299.6918 -106.6473 -74.0391 557366.9208 7.4716 7.4291 PRESSURE: 3689800 -5.47797 162.769 -76.4832 162.77 39.9884 81.0544 -76.483 81.0576 38.7953 GPRESSURE: 3689800 13.0593 118.093 -149.036 192.668 104.969 72.9162 -82.8904 59.3529 51.8415 PRESSAVG: 3689800 -22.7536 81.3441 22.928 81.3441 -45.416 -16.5633 22.928 -16.5633 17.099 GPRESSAVG: 3689800 -23.3321 79.2795 22.4415 83.4542 -47.2833 -15.6978 24.593 -14.6843 19.5323 TIMING: 3689800 CPU: 10691.6, 0.00287481/step Wall: 10691.6, 0.00287481/step, 1.04627 hours remaining, 210.347656 MB of memory in use. ENERGY: 3689800 732.9647 2068.9066 1952.6861 117.9231 -206335.3767 17798.9242 0.0000 0.0000 34312.9931 -149350.9789 299.6639 -183663.9720 -149256.4795 298.9787 24.4353 56.6232 556286.7169 -17.0236 -17.0277 PRESSURE: 3690000 -81.4039 250.611 179.108 250.611 -117.268 16.4674 179.108 16.4659 -114.262 GPRESSURE: 3690000 -62.6396 267.907 108.941 186.297 -116.135 45.4942 207.009 -66.2221 -34.7744 PRESSAVG: 3690000 31.0686 34.4602 -8.01898 34.4601 2.04919 -22.6255 -8.01903 -22.6255 -17.5549 GPRESSAVG: 3690000 30.2371 34.2857 -10.3148 33.1287 3.45587 -24.0975 -7.96688 -23.7179 -18.5342 TIMING: 3690000 CPU: 10692.2, 0.00288475/step Wall: 10692.2, 0.00288475/step, 1.04973 hours remaining, 210.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3690000 721.0489 2094.4817 1961.6681 113.1580 -205880.6983 17520.6489 0.0000 0.0000 34165.2832 -149304.4096 298.3739 -183469.6927 -149201.7342 299.0653 -104.3113 -71.1830 557954.4507 5.1876 5.0529 PRESSURE: 3690200 -122.434 -22.9171 -103.887 -22.9164 -94.0497 -66.3986 -103.886 -66.3996 -161.409 GPRESSURE: 3690200 -85.9431 20.4816 -88.4101 -66.3502 -61.8832 -105.47 -41.6792 -50.1945 -138.221 PRESSAVG: 3690200 -0.695509 19.9311 -9.52005 19.9311 -35.2487 -1.58507 -9.52002 -1.58518 -11.1351 GPRESSAVG: 3690200 -0.611663 21.9439 -8.24049 18.0621 -36.0911 -1.29433 -10.866 -1.80807 -10.3807 TIMING: 3690200 CPU: 10692.7, 0.0028495/step Wall: 10692.7, 0.0028495/step, 1.03674 hours remaining, 210.347656 MB of memory in use. ENERGY: 3690200 745.5100 2054.9009 1972.5494 105.1879 -205781.2769 17512.0633 0.0000 0.0000 34190.9230 -149200.1423 298.5978 -183391.0653 -149106.6787 299.2677 -125.9642 -95.3491 557344.4435 -15.6931 -15.6945 PRESSURE: 3690400 89.9787 122.126 7.46584 122.125 -265.539 96.4477 7.46683 96.4467 -51.7526 GPRESSURE: 3690400 124.433 188.108 98.3482 41.868 -263.859 39.9749 -42.2718 101.49 13.7523 PRESSAVG: 3690400 62.9584 82.1852 -3.23705 82.1852 -29.3595 -45.9262 -3.23702 -45.9262 -62.3921 GPRESSAVG: 3690400 62.803 79.7609 -3.5514 83.3847 -28.6298 -45.8855 -0.870235 -45.1384 -62.9173 TIMING: 3690400 CPU: 10693.3, 0.00287269/step Wall: 10693.3, 0.00287269/step, 1.04502 hours remaining, 210.347656 MB of memory in use. ENERGY: 3690400 755.5934 2069.1945 1937.9926 110.4179 -206261.0621 17846.9075 0.0000 0.0000 34253.6706 -149287.2857 299.1458 -183540.9562 -149192.9060 299.0463 -75.7709 -41.8914 559983.9452 -9.5977 -9.5814 PRESSURE: 3690600 27.6104 -67.9396 -118.412 -67.9394 38.6633 96.4935 -118.411 96.4949 151.931 GPRESSURE: 3690600 101.169 -39.038 -123.551 -72.8594 92.5451 121.479 -138.896 77.6123 108.565 PRESSAVG: 3690600 -1.2577 18.876 -64.4514 18.8759 1.67756 37.5838 -64.4513 37.5837 14.3554 GPRESSAVG: 3690600 -1.24118 20.4166 -63.1609 19.4203 2.16919 37.7157 -65.1795 36.1105 13.7325 TIMING: 3690600 CPU: 10693.9, 0.00286063/step Wall: 10693.9, 0.00286063/step, 1.04047 hours remaining, 210.347656 MB of memory in use. ENERGY: 3690600 744.5375 2049.4861 1951.3638 101.8908 -206391.7952 17961.0290 0.0000 0.0000 34325.7832 -149257.7048 299.7756 -183583.4880 -149156.5042 298.8169 72.7350 100.7598 559297.7224 4.9251 4.8868 PRESSURE: 3690800 -156.725 -9.45814 56.8334 -9.45868 -108.436 -111.829 56.8342 -111.831 -89.8488 GPRESSURE: 3690800 -99.0486 113.357 2.88235 -8.62032 -80.6767 -178.295 11.5907 -81.1304 -77.5671 PRESSAVG: 3690800 -17.3982 -15.5858 -18.6764 -15.5858 25.9448 39.3859 -18.6764 39.3857 -36.2448 GPRESSAVG: 3690800 -16.9104 -15.4182 -17.4834 -17.1819 25.2217 37.345 -22.3501 40.0141 -35.913 TIMING: 3690800 CPU: 10694.5, 0.00286974/step Wall: 10694.5, 0.00286974/step, 1.04363 hours remaining, 210.347656 MB of memory in use. ENERGY: 3690800 736.3964 2053.8195 1958.2403 116.3166 -206055.6845 17639.5754 0.0000 0.0000 34114.3829 -149436.9533 297.9294 -183551.3362 -149347.2839 298.1803 -118.3365 -85.7641 558827.0848 -9.2327 -9.2006 PRESSURE: 3691000 -193.903 68.2886 -91.3028 68.2881 50.9443 75.04 -91.303 75.041 -45.0809 GPRESSURE: 3691000 -154.284 -23.9275 -15.7563 102.611 47.3112 20.3336 -102.838 217.996 7.36749 PRESSAVG: 3691000 -49.8579 24.567 -44.8327 24.5671 -30.6209 23.4066 -44.8326 23.4067 38.7328 GPRESSAVG: 3691000 -50.7474 25.51 -45.3392 24.5478 -29.923 26.1836 -43.0566 24.1262 39.3331 TIMING: 3691000 CPU: 10695, 0.00289248/step Wall: 10695, 0.00289248/step, 1.05174 hours remaining, 210.347656 MB of memory in use. ENERGY: 3691000 676.2928 2150.4393 1927.7334 117.2864 -205843.1322 17447.1418 0.0000 0.0000 34300.0774 -149224.1612 299.5511 -183524.2386 -149123.1225 298.8137 -62.6797 -33.2019 557449.6676 -13.9153 -13.7791 PRESSURE: 3691200 -522.891 12.8075 56.4328 12.8065 33.2346 226.71 56.4336 226.709 -244.125 GPRESSURE: 3691200 -448.693 23.0933 -20.6983 -8.93543 38.5697 172.002 112.516 132.184 -236.713 PRESSAVG: 3691200 -22.0561 13.6991 -27.2392 13.6992 -24.6025 -41.5735 -27.2393 -41.5734 53.8369 GPRESSAVG: 3691200 -22.2958 12.9027 -28.8921 15.4694 -23.726 -41.0196 -25.1456 -44.2594 53.1021 TIMING: 3691200 CPU: 10695.6, 0.00290887/step Wall: 10695.6, 0.00290887/step, 1.05753 hours remaining, 210.347656 MB of memory in use. ENERGY: 3691200 765.9860 2102.8097 1958.2194 117.7443 -205644.0654 17485.6985 0.0000 0.0000 34170.5911 -149043.0164 298.4203 -183213.6075 -148945.2459 298.9787 -244.5940 -215.6123 559837.5075 2.3928 2.3601 PRESSURE: 3691400 87.5358 105.361 45.7185 105.36 68.3164 -167.794 45.7186 -167.795 46.0028 GPRESSURE: 3691400 142.085 171.697 83.2556 68.3553 44.6648 -153.475 -26.3977 -175.758 101.575 PRESSAVG: 3691400 -58.2851 -50.2649 5.67023 -50.2649 52.0062 -27.0612 5.67015 -27.0613 33.1175 GPRESSAVG: 3691400 -57.8159 -50.5123 6.37378 -52.1937 50.7125 -30.6599 4.62108 -25.4113 33.9218 TIMING: 3691400 CPU: 10696.2, 0.00286914/step Wall: 10696.2, 0.00286914/step, 1.04293 hours remaining, 210.347656 MB of memory in use. ENERGY: 3691400 765.7659 2088.3030 1954.3868 118.1772 -205989.7288 17853.2175 0.0000 0.0000 34278.7276 -148931.1508 299.3647 -183209.8784 -148838.2382 300.0186 67.2850 96.1080 557984.3545 8.9462 8.9395 PRESSURE: 3691600 -38.2181 24.2938 -2.63728 24.2945 -269.844 188.741 -2.63669 188.741 218.351 GPRESSURE: 3691600 -47.1869 -10.8979 -2.90713 -34.0967 -124.621 127.267 9.0175 187.582 184.869 PRESSAVG: 3691600 8.45594 -38.5886 -14.4201 -38.5886 33.6401 4.80406 -14.4201 4.80401 0.547317 GPRESSAVG: 3691600 7.45815 -39.7183 -12.3803 -39.4793 34.5374 6.86467 -15.7377 3.96052 0.396254 TIMING: 3691600 CPU: 10696.8, 0.00288699/step Wall: 10696.8, 0.00288699/step, 1.04926 hours remaining, 210.347656 MB of memory in use. ENERGY: 3691600 789.0780 2184.9783 1912.6295 108.2231 -206135.4221 17775.8904 0.0000 0.0000 34474.5909 -148890.0320 301.0752 -183364.6229 -148795.1636 300.0884 -29.9035 4.3539 557045.1668 14.2145 14.1306 PRESSURE: 3691800 -13.403 6.56801 32.8347 6.56867 -62.0652 -19.7162 32.8361 -19.7169 -101.143 GPRESSURE: 3691800 -18.6125 -16.5272 -32.7501 73.0285 -28.9587 70.495 52.5362 38.142 -33.9193 PRESSAVG: 3691800 -65.2958 0.142415 -5.35456 0.142435 1.3057 14.3 -5.35455 14.2999 34.946 GPRESSAVG: 3691800 -65.151 2.63944 -7.49993 -0.5465 1.21997 15.2971 -2.08625 12.4215 35.1556 TIMING: 3691800 CPU: 10697.4, 0.00289243/step Wall: 10697.4, 0.00289243/step, 1.05108 hours remaining, 210.347656 MB of memory in use. ENERGY: 3691800 783.0162 2046.6570 1957.8619 114.0845 -205853.5672 17738.6062 0.0000 0.0000 34383.6421 -148829.6992 300.2809 -183213.3413 -148732.0548 299.7884 -58.8703 -27.1635 557479.4508 -9.6814 -9.5918 PRESSURE: 3692000 26.6665 41.7315 -78.5597 41.7322 -260.834 -65.9849 -78.5593 -65.9843 -83.9584 GPRESSURE: 3692000 26.9142 49.765 -100.776 37.0122 -185.039 80.8265 -35.0308 -82.03 -58.3408 PRESSAVG: 3692000 -33.0396 -2.99781 -28.5103 -2.99791 -2.65226 109.573 -28.5102 109.573 50.1016 GPRESSAVG: 3692000 -32.3554 -3.44081 -24.3335 -2.97989 -2.67779 107.846 -31.8809 111.66 49.4992 TIMING: 3692000 CPU: 10697.9, 0.00286384/step Wall: 10697.9, 0.00286384/step, 1.04053 hours remaining, 210.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3692000 722.6726 2150.1736 1936.7675 112.7107 -205491.5258 17636.0335 0.0000 0.0000 34279.0950 -148654.0729 299.3679 -182933.1679 -148554.6306 299.9145 -106.0420 -72.1552 559208.9277 4.8032 4.8220 PRESSURE: 3692200 88.6066 37.0801 -76.1058 37.081 -119.874 -14.5915 -76.1055 -14.5918 117.382 GPRESSURE: 3692200 162.05 84.1758 -86.884 -32.6915 -114.637 27.6397 -10.6001 -77.0473 148.919 PRESSAVG: 3692200 5.64818 -19.7558 -21.2247 -19.7558 59.9746 25.6756 -21.2246 25.6756 8.22572 GPRESSAVG: 3692200 5.56848 -21.35 -23.3048 -18.5586 60.7295 27.9366 -17.6508 24.0572 7.38522 TIMING: 3692200 CPU: 10698.5, 0.00286776/step Wall: 10698.5, 0.00286776/step, 1.04179 hours remaining, 210.347656 MB of memory in use. ENERGY: 3692200 745.5876 2097.1787 1951.2947 106.9582 -205956.6035 17760.3339 0.0000 0.0000 34349.8555 -148945.3948 299.9858 -183295.2503 -148848.9699 299.9583 28.7050 65.4442 558091.7413 24.6162 24.5611 LDB: ============= START OF LOAD BALANCING ============== 10701.9 LDB: ============== END OF LOAD BALANCING =============== 10701.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10701.9 LDB: ============= START OF LOAD BALANCING ============== 10702.2 LDB: Largest compute 4792 load 0.024995 is 21.2% of average load 0.118053 LDB: Average compute 0.001723 is 1.5% of average load 0.118053 LDB: TIME 10702.2 LOAD: AVG 0.118053 MAX 0.179363 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.375 MB LDB: TIME 10702.2 LOAD: AVG 0.118053 MAX 0.179363 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.383 MB LDB: TIME 10702.2 LOAD: AVG 0.118053 MAX 0.179363 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10702.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10702.2 PRESSURE: 3692400 -16.3619 -24.31 -32.2551 -24.3105 11.0145 -92.9275 -32.2558 -92.9291 8.15591 GPRESSURE: 3692400 -41.941 -45.0152 -26.8475 87.9742 104.033 -99.3452 -30.0004 -122.525 44.489 PRESSAVG: 3692400 -56.7028 36.8282 -33.8262 36.8281 -13.7428 34.5305 -33.8262 34.5304 45.3779 GPRESSAVG: 3692400 -56.9562 37.3666 -36.0847 37.267 -14.6953 32.6668 -34.9974 34.8224 47.2535 TIMING: 3692400 CPU: 10699.1, 0.00293672/step Wall: 10699.1, 0.00293672/step, 1.06668 hours remaining, 210.148438 MB of memory in use. ENERGY: 3692400 735.6696 2077.2287 1968.3136 108.1974 -206297.0102 17777.6705 0.0000 0.0000 34447.6148 -149182.3158 300.8396 -183629.9305 -149080.8911 299.4350 0.9362 35.5271 557329.2619 -8.3559 -8.1327 PRESSURE: 3692600 -107.517 -221.629 -55.3695 -221.629 -144.425 -60.5377 -55.3704 -60.5355 -77.0316 GPRESSURE: 3692600 -106.809 -242.068 -15.7644 -176.744 -132.813 -151.384 -57.7117 -37.355 -6.59276 PRESSAVG: 3692600 -37.2718 -9.4919 -28.3814 -9.49179 -46.4951 -24.8479 -28.3814 -24.8479 50.3319 GPRESSAVG: 3692600 -36.4196 -7.25397 -27.811 -10.4233 -45.9328 -25.3318 -28.7364 -21.9841 49.0189 TIMING: 3692600 CPU: 10699.7, 0.00289434/step Wall: 10699.7, 0.00289434/step, 1.05113 hours remaining, 210.148438 MB of memory in use. ENERGY: 3692600 757.4088 2094.6572 1971.4570 118.5527 -206154.9608 17648.9303 0.0000 0.0000 34314.9246 -149249.0303 299.6808 -183563.9549 -149155.6531 299.6347 -109.6578 -82.0717 558763.4272 -11.1450 -11.1112 PRESSURE: 3692800 -65.5874 -15.3409 -82.2464 -15.3397 107.237 -62.7026 -82.2461 -62.7038 -17.8313 GPRESSURE: 3692800 -98.845 -36.2798 -152.749 10.1811 198.129 -86.7202 -193.411 -23.0456 17.989 PRESSAVG: 3692800 -63.139 -41.8428 -48.6934 -41.8428 62.4206 34.622 -48.6933 34.6221 5.55899 GPRESSAVG: 3692800 -64.7714 -42.04 -48.0978 -41.784 63.2006 37.4699 -48.8223 33.6642 6.24315 TIMING: 3692800 CPU: 10700.2, 0.00288883/step Wall: 10700.2, 0.00288883/step, 1.04896 hours remaining, 210.148438 MB of memory in use. ENERGY: 3692800 763.8205 2108.1656 1944.7740 102.8617 -206589.5281 17949.1319 0.0000 0.0000 34446.8421 -149273.9323 300.8328 -183720.7745 -149175.7239 299.1096 7.9395 39.0911 558125.3843 1.6135 1.5575 PRESSURE: 3693000 234.232 33.6923 -64.2212 33.6931 -64.7601 107.999 -64.2211 108 -100.585 GPRESSURE: 3693000 230.108 92.395 -43.6362 44.8042 3.29567 75.8142 -98.1069 45.5028 -64.1209 PRESSAVG: 3693000 -18.2282 27.1294 0.093505 27.1293 -33.0175 29.5437 0.0934891 29.5438 27.0738 GPRESSAVG: 3693000 -17.9545 24.6439 -0.209804 28.6298 -32.8387 25.8036 0.301438 29.4152 26.5264 TIMING: 3693000 CPU: 10700.8, 0.00286833/step Wall: 10700.8, 0.00286833/step, 1.04136 hours remaining, 210.148438 MB of memory in use. ENERGY: 3693000 750.0054 2109.8825 1934.9342 113.2532 -206343.9441 17958.7728 0.0000 0.0000 34312.6119 -149164.4842 299.6606 -183477.0961 -149065.1436 299.3947 22.9624 56.4276 558691.3570 -8.0573 -8.0889 PRESSURE: 3693200 47.5236 110.173 62.0198 110.174 -171.838 171.288 62.0185 171.289 -190.373 GPRESSURE: 3693200 83.314 42.6079 -27.9095 92.1236 -159.663 215.918 84.1628 178.223 -124.876 PRESSAVG: 3693200 4.2967 14.2276 9.36325 14.2277 -39.1893 16.2967 9.36322 16.2966 46.9111 GPRESSAVG: 3693200 4.74588 13.6199 8.46581 14.6012 -39.7692 19.796 8.74944 14.0068 47.03 TIMING: 3693200 CPU: 10701.4, 0.00286213/step Wall: 10701.4, 0.00286213/step, 1.03895 hours remaining, 210.148438 MB of memory in use. ENERGY: 3693200 767.9922 2063.8685 1946.5916 112.9136 -206125.9757 17785.7407 0.0000 0.0000 34362.6094 -149086.2597 300.0972 -183448.8691 -148989.9192 298.4999 -104.8957 -67.0752 557939.4162 4.0062 4.0022 PRESSURE: 3693400 -141.166 25.1988 91.0744 25.1982 270.715 -21.5871 91.0748 -21.5884 117.731 GPRESSURE: 3693400 -24.5309 42.5872 40.1085 -29.3574 181.331 -146.017 159.869 86.7708 180.106 PRESSAVG: 3693400 -74.8152 -3.68582 -43.1353 -3.68585 63.6112 -1.86635 -43.1354 -1.86627 -26.4226 GPRESSAVG: 3693400 -73.9015 -3.4842 -41.548 -2.55435 62.1705 -6.05171 -41.8993 1.64184 -26.3903 TIMING: 3693400 CPU: 10702, 0.00288317/step Wall: 10702, 0.00288317/step, 1.04643 hours remaining, 210.148438 MB of memory in use. ENERGY: 3693400 774.6893 2141.7093 1976.4094 114.5516 -205969.1060 17829.3518 0.0000 0.0000 34079.3167 -149053.0780 297.6231 -183132.3947 -148966.2234 299.6019 82.4268 112.3020 557001.8479 -12.5422 -12.7071 PRESSURE: 3693600 -233.443 84.9532 133.278 84.9535 -41.8029 -26.3775 133.277 -26.3758 -0.174063 GPRESSURE: 3693600 -156.215 35.7193 262.763 150.922 9.6196 -58.6531 -26.5801 61.226 -19.1866 PRESSAVG: 3693600 -20.6239 18.9098 -6.96366 18.9098 14.2088 1.69792 -6.96361 1.69795 -50.7916 GPRESSAVG: 3693600 -21.6722 19.9717 -7.75142 19.8351 16.6573 4.54578 -8.12763 1.19261 -51.9881 TIMING: 3693600 CPU: 10702.5, 0.00288607/step Wall: 10702.5, 0.00288607/step, 1.04732 hours remaining, 210.148438 MB of memory in use. ENERGY: 3693600 740.8503 2075.6284 1960.1040 124.1922 -205974.2927 17594.8558 0.0000 0.0000 34486.0918 -148992.5704 301.1756 -183478.6622 -148898.2727 299.7797 -91.8068 -55.2607 557532.6892 -19.0689 -19.0010 PRESSURE: 3693800 112.114 -24.7694 -110.015 -24.7704 -227.28 19.564 -110.016 19.5647 -22.6975 GPRESSURE: 3693800 92.1122 -23.3336 -93.4844 -106.494 -117.23 -23.6454 -102.42 92.0686 -10.168 PRESSAVG: 3693800 13.5578 24.0804 1.82434 24.0803 4.46214 -8.12559 1.82432 -8.12558 37.2434 GPRESSAVG: 3693800 13.9788 23.6104 3.11599 22.9216 3.11543 -7.42191 0.533079 -9.54254 38.5549 TIMING: 3693800 CPU: 10703.1, 0.00288585/step Wall: 10703.1, 0.00288585/step, 1.04708 hours remaining, 210.148438 MB of memory in use. ENERGY: 3693800 767.0208 2074.5080 1940.2214 111.5948 -205821.8006 17559.1791 0.0000 0.0000 34315.2087 -149054.0678 299.6833 -183369.2765 -148957.7834 300.2479 -45.9544 -11.7621 556473.4734 18.4211 18.5497 PRESSURE: 3694000 -4.22892 54.1561 -8.87818 54.1565 -156.066 -7.35437 -8.87871 -7.35185 -277.021 GPRESSURE: 3694000 -5.33253 7.73956 63.785 107.002 -97.3791 -67.5478 -77.0577 27.4439 -243.833 PRESSAVG: 3694000 -14.9844 -11.4272 14.4468 -11.4272 56.7804 38.3858 14.4468 38.3858 10.3173 GPRESSAVG: 3694000 -15.1479 -10.4757 14.6407 -12.7948 55.9062 37.2311 16.0145 38.8397 11.0287 TIMING: 3694000 CPU: 10703.7, 0.00287283/step Wall: 10703.7, 0.00287283/step, 1.0422 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3694000 776.5623 2079.1932 1942.4880 110.8792 -206138.7202 17718.4133 0.0000 0.0000 34457.9719 -149053.2122 300.9300 -183511.1840 -148959.2309 299.6019 -145.7717 -115.5150 558147.8854 17.3711 17.2623 PRESSURE: 3694200 0.433768 -22.0888 84.3197 -22.0888 236.681 30.1063 84.3195 30.1065 -375.216 GPRESSURE: 3694200 17.7757 0.45976 114.397 -54.1457 261.021 -1.77743 80.3182 36.3099 -307.594 PRESSAVG: 3694200 53.1962 35.6872 61.098 35.6872 44.8882 1.77513 61.0978 1.77506 -49.9046 GPRESSAVG: 3694200 53.3417 34.2711 57.5274 35.8464 45.1094 3.19301 63.424 2.31398 -49.9122 TIMING: 3694200 CPU: 10704.3, 0.00287833/step Wall: 10704.3, 0.00287833/step, 1.04403 hours remaining, 210.148438 MB of memory in use. ENERGY: 3694200 755.3855 2025.9698 1956.1767 118.6902 -206201.7345 17832.9432 0.0000 0.0000 34288.5776 -149223.9914 299.4507 -183512.5690 -149133.1736 299.5703 -46.0337 -9.5993 557766.0480 16.0599 16.1796 PRESSURE: 3694400 -120.096 -84.6598 -126.293 -84.659 130.819 -55.5824 -126.293 -55.5822 -259.739 GPRESSURE: 3694400 -59.3078 -70.8698 -96.0506 -74.0075 206.854 5.53151 -102.009 -79.1124 -291.965 PRESSAVG: 3694400 8.27186 23.6351 -30.3297 23.6351 75.6516 12.5008 -30.3297 12.5009 -41.3963 GPRESSAVG: 3694400 7.94958 24.2042 -26.5135 23.3061 75.9449 11.523 -32.9162 10.6528 -41.8077 TIMING: 3694400 CPU: 10704.8, 0.00288157/step Wall: 10704.8, 0.00288157/step, 1.04505 hours remaining, 210.148438 MB of memory in use. ENERGY: 3694400 697.6598 2049.1926 1962.3623 120.4430 -206185.1161 17772.6047 0.0000 0.0000 34251.5965 -149331.2571 299.1277 -183582.8536 -149228.5344 299.4222 -83.0054 -48.1396 558496.0193 14.1757 14.0289 PRESSURE: 3694600 137.246 13.3681 -270.196 13.3695 -138.566 17.6441 -270.196 17.6433 -267.51 GPRESSURE: 3694600 129.999 -27.054 -212.951 15.1441 -116.125 29.9906 -254.315 57.4732 -201.463 PRESSAVG: 3694600 -10.3141 -0.763543 -47.4774 -0.763549 -37.3143 51.0598 -47.4774 51.0598 27.5774 GPRESSAVG: 3694600 -10.8434 0.843812 -50.5971 -0.334868 -37.4231 49.8561 -46.4726 51.7874 27.7527 TIMING: 3694600 CPU: 10705.4, 0.00287763/step Wall: 10705.4, 0.00287763/step, 1.04346 hours remaining, 210.148438 MB of memory in use. ENERGY: 3694600 748.0633 2034.6483 1951.8856 105.4925 -206002.5584 17734.2536 0.0000 0.0000 34231.4444 -149196.7708 298.9517 -183428.2152 -149097.6055 299.1196 -89.6097 -62.5301 558644.3915 -6.6837 -6.8379 PRESSURE: 3694800 70.7349 -59.3758 -79.0913 -59.376 27.9331 -86.9825 -79.0912 -86.9833 112.225 GPRESSURE: 3694800 172.336 -0.811909 -73.4994 -16.6611 13.6705 -39.7236 -110.091 -88.5576 118.968 PRESSAVG: 3694800 -12.3445 44.0076 -18.9955 44.0076 -25.5214 -14.4982 -18.9954 -14.4982 -13.8125 GPRESSAVG: 3694800 -12.6122 42.1425 -17.2123 43.0041 -25.5547 -13.1122 -18.3739 -13.8037 -13.5397 TIMING: 3694800 CPU: 10706, 0.00288902/step Wall: 10706, 0.00288902/step, 1.04743 hours remaining, 210.148438 MB of memory in use. ENERGY: 3694800 751.7493 2066.0426 1947.6699 122.8850 -206696.4035 18145.0859 0.0000 0.0000 34308.7640 -149354.2069 299.6270 -183662.9709 -149254.0879 299.0309 70.2978 101.6584 558763.8992 -17.2261 -17.2355 PRESSURE: 3695000 425.055 -64.9076 10.1912 -64.908 9.53997 102.349 10.1914 102.349 83.3109 GPRESSURE: 3695000 370.082 -25.258 37.5068 -86.4735 97.3062 169.709 28.01 86.0894 148.383 PRESSAVG: 3695000 45.0003 28.0158 -9.07782 28.0158 -34.7717 -11.612 -9.0778 -11.6119 9.42123 GPRESSAVG: 3695000 45.397 27.6834 -6.77898 29.3976 -33.8981 -11.2867 -10.7672 -12.3766 8.02398 TIMING: 3695000 CPU: 10706.6, 0.00288299/step Wall: 10706.6, 0.00288299/step, 1.04508 hours remaining, 210.148438 MB of memory in use. ENERGY: 3695000 738.4770 2052.5876 1940.3027 110.8996 -206724.6953 18188.3942 0.0000 0.0000 34463.4324 -149230.6017 300.9777 -183694.0342 -149136.5736 299.2472 172.6354 205.2571 556106.6971 6.5499 6.5076 PRESSURE: 3695200 -50.5247 125.22 -116.882 125.219 27.0956 32.7672 -116.883 32.7664 25.7563 GPRESSURE: 3695200 -49.0484 56.0348 -86.7957 194.045 81.1279 91.2527 -162.949 -16.1701 71.3826 PRESSAVG: 3695200 34.1027 39.1477 -32.3719 39.1477 -20.5392 -22.236 -32.3717 -22.236 3.57206 GPRESSAVG: 3695200 33.3393 40.223 -32.6288 37.7132 -20.8783 -24.1265 -33.8189 -23.2481 4.15701 TIMING: 3695200 CPU: 10707.2, 0.00289754/step Wall: 10707.2, 0.00289754/step, 1.0502 hours remaining, 210.148438 MB of memory in use. ENERGY: 3695200 729.8768 2096.6413 1940.3761 107.7520 -206314.2597 17786.1483 0.0000 0.0000 34233.4919 -149419.9733 298.9696 -183653.4653 -149326.9642 299.2651 0.7757 34.4874 555870.2590 5.7118 5.5393 PRESSURE: 3695400 -7.31187 11.556 -111.288 11.5543 -0.611426 56.529 -111.287 56.5287 205.404 GPRESSURE: 3695400 -18.3029 47.8193 -113.092 -7.07472 16.4479 12.9506 -22.1405 185.799 291.742 PRESSAVG: 3695400 -53.0167 -15.5338 -31.3317 -15.5339 -21.0104 77.8805 -31.3318 77.8805 12.0537 GPRESSAVG: 3695400 -52.8523 -16.4225 -33.0473 -13.5084 -21.1076 81.1999 -29.2426 79.2816 12.2179 TIMING: 3695400 CPU: 10707.7, 0.00288505/step Wall: 10707.7, 0.00288505/step, 1.04551 hours remaining, 210.148438 MB of memory in use. ENERGY: 3695400 715.2270 2120.7054 1928.1776 121.1777 -206231.9763 17807.5521 0.0000 0.0000 34172.7633 -149366.3731 298.4392 -183539.1364 -149267.5426 298.9986 65.8270 96.6289 556968.8332 -20.6578 -20.5807 PRESSURE: 3695600 -136.329 77.988 -0.285397 77.9893 300.473 95.7471 -0.285295 95.7479 198.091 GPRESSURE: 3695600 -123.087 56.5804 -11.4173 87.9187 343.874 88.8097 61.9465 93.3141 235.457 PRESSAVG: 3695600 -26.6068 13.5064 -7.53718 13.5065 49.3712 -1.19186 -7.53722 -1.19186 -8.89957 GPRESSAVG: 3695600 -26.4313 14.7956 -7.71746 11.8142 48.8383 -2.14338 -7.55642 -2.58049 -8.39 TIMING: 3695600 CPU: 10708.3, 0.00285803/step Wall: 10708.3, 0.00285803/step, 1.03556 hours remaining, 210.148438 MB of memory in use. ENERGY: 3695600 737.6085 2105.8456 1993.9620 118.5857 -206502.3303 17914.9566 0.0000 0.0000 34256.7856 -149374.5862 299.1730 -183631.3719 -149282.1337 298.3114 120.7450 152.0812 556181.9417 4.6216 4.6724 PRESSURE: 3695800 1.16356 -2.46647 22.5965 -2.46609 30.3828 1.87977 22.5977 1.88034 45.3234 GPRESSURE: 3695800 -9.11047 -81.1255 106.181 43.3596 106.455 -7.95991 -101.389 -55.7373 74.7837 PRESSAVG: 3695800 -26.2075 2.7161 42.4218 2.71609 23.5194 -53.0282 42.4219 -53.0282 18.1239 GPRESSAVG: 3695800 -25.406 2.83818 41.1214 1.96801 23.949 -54.2788 44.2111 -51.361 17.2993 TIMING: 3695800 CPU: 10708.9, 0.00288304/step Wall: 10708.9, 0.00288304/step, 1.04446 hours remaining, 210.148438 MB of memory in use. ENERGY: 3695800 747.9896 2110.7587 1948.8470 125.8902 -206468.0897 17937.6295 0.0000 0.0000 34263.4491 -149333.5256 299.2312 -183596.9747 -149241.3111 299.0664 25.6232 57.3761 556570.3591 5.1452 5.2808 PRESSURE: 3696000 -347.819 14.3975 -153.685 14.397 -219.969 64.1938 -153.684 64.1946 317.331 GPRESSURE: 3696000 -300.031 -64.32 -141.365 110.963 -148.84 65.0381 -124.283 48.2225 288.513 PRESSAVG: 3696000 -14.5532 8.22106 -24.2375 8.22112 -75.5824 -22.6168 -24.2375 -22.6168 91.18 GPRESSAVG: 3696000 -15.7644 7.27615 -22.4769 10.8943 -75.0166 -21.5398 -27.6841 -23.6401 91.5781 TIMING: 3696000 CPU: 10709.5, 0.00287679/step Wall: 10709.5, 0.00287679/step, 1.04204 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3696000 732.9317 2055.0806 1934.5022 115.7580 -206106.9255 17756.5287 0.0000 0.0000 33986.6595 -149525.4648 296.8140 -183512.1243 -149426.1508 298.2227 -83.4859 -53.4526 559483.1393 0.3481 0.2657 PRESSURE: 3696200 40.0559 -105.517 29.9841 -105.517 -223.443 163.308 29.9842 163.309 134.773 GPRESSURE: 3696200 57.3484 -129.803 2.18466 -158.272 -145.223 168.205 111.136 117.914 120.142 PRESSAVG: 3696200 4.00885 -17.2108 1.04625 -17.2108 -35.9053 13.4131 1.04632 13.4132 7.84591 GPRESSAVG: 3696200 4.95161 -15.2857 -0.854556 -19.5304 -35.7495 13.8173 2.3436 13.825 6.73857 TIMING: 3696200 CPU: 10710, 0.00287256/step Wall: 10710, 0.00287256/step, 1.04034 hours remaining, 210.148438 MB of memory in use. ENERGY: 3696200 763.7912 2111.9359 1927.5287 118.2329 -206765.4968 18055.1158 0.0000 0.0000 34283.7321 -149505.1602 299.4084 -183788.8923 -149404.0411 298.5367 -16.2048 10.7557 556793.0503 -8.0168 -8.0198 LDB: ============= START OF LOAD BALANCING ============== 10713.4 LDB: ============== END OF LOAD BALANCING =============== 10713.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10713.4 LDB: ============= START OF LOAD BALANCING ============== 10713.7 LDB: Largest compute 4792 load 0.025268 is 21.4% of average load 0.118069 LDB: Average compute 0.001723 is 1.5% of average load 0.118069 LDB: TIME 10713.7 LOAD: AVG 0.118069 MAX 0.175777 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.125 MB LDB: TIME 10713.7 LOAD: AVG 0.118069 MAX 0.175777 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: TIME 10713.7 LOAD: AVG 0.118069 MAX 0.175777 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: ============== END OF LOAD BALANCING =============== 10713.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10713.7 PRESSURE: 3696400 -17.7887 -18.5251 -65.0368 -18.5261 -203.168 86.5481 -65.0377 86.5491 -307.464 GPRESSURE: 3696400 -5.36418 58.5108 -72.5676 -55.5878 -241.511 81.1416 -17.4051 154.371 -189.724 PRESSAVG: 3696400 12.9911 -21.9447 -2.04667 -21.9448 -32.7632 -30.0511 -2.04664 -30.0511 34.1189 GPRESSAVG: 3696400 12.9255 -21.8151 -3.0985 -23.0691 -34.0851 -32.2198 -2.30636 -30.3028 35.5408 TIMING: 3696400 CPU: 10710.6, 0.00291697/step Wall: 10710.6, 0.00291697/step, 1.05627 hours remaining, 209.636719 MB of memory in use. ENERGY: 3696400 797.9226 2052.7036 1983.2380 107.1286 -206379.9507 17774.5260 0.0000 0.0000 34136.5144 -149527.9174 298.1227 -183664.4318 -149428.5380 298.5231 -176.1404 -145.5330 558474.2984 4.7823 4.7937 PRESSURE: 3696600 -73.2576 -51.5625 -182.632 -51.5622 -134.869 30.59 -182.633 30.5907 81.9269 GPRESSURE: 3696600 -55.2472 -130.811 -149.298 -77.1141 -17.1753 -62.2068 -95.8384 99.6141 48.2575 PRESSAVG: 3696600 -17.7072 -39.5066 4.00476 -39.5065 -35.3467 15.5319 4.00464 15.532 99.7153 GPRESSAVG: 3696600 -17.0668 -42.3643 5.64959 -36.0051 -35.9453 17.5182 6.82674 16.478 99.5149 TIMING: 3696600 CPU: 10711.2, 0.00289172/step Wall: 10711.2, 0.00289172/step, 1.04696 hours remaining, 209.636719 MB of memory in use. ENERGY: 3696600 771.2157 2112.3537 1955.0543 114.5515 -206275.1618 17772.8408 0.0000 0.0000 34015.6605 -149533.4854 297.0672 -183549.1460 -149440.2212 298.2326 -42.0666 -8.0550 557682.6673 15.5538 15.5009 PRESSURE: 3696800 73.2341 -73.2108 -74.732 -73.2117 -101.624 -9.93807 -74.7313 -9.9382 90.1752 GPRESSURE: 3696800 117.066 -109.003 -15.2782 -4.50399 -34.6875 -5.8055 -96.6848 -43.8234 82.3942 PRESSAVG: 3696800 -29.9654 19.2059 -11.1812 19.206 -70.2164 43.5239 -11.1811 43.5238 73.0661 GPRESSAVG: 3696800 -31.0346 20.9159 -10.6286 16.8688 -70.1802 44.759 -12.1297 41.6969 74.2223 TIMING: 3696800 CPU: 10711.8, 0.00289367/step Wall: 10711.8, 0.00289367/step, 1.04751 hours remaining, 209.636719 MB of memory in use. ENERGY: 3696800 741.8364 2095.5781 1973.5201 124.1385 -206586.6681 18057.0737 0.0000 0.0000 34088.8904 -149505.6310 297.7068 -183594.5213 -149406.2056 297.9592 20.5950 54.9241 557935.0411 -9.0386 -8.9975 PRESSURE: 3697000 -400.305 -1.49217 -88.6839 -1.49288 -221.334 -76.881 -88.6839 -76.8817 -300.399 GPRESSURE: 3697000 -469.651 6.05351 -51.4227 -46.9808 -154.105 -104.713 -53.3534 27.0379 -207.587 PRESSAVG: 3697000 16.0538 -0.175683 -5.55286 -0.175683 22.9442 -46.8374 -5.55288 -46.8373 10.3619 GPRESSAVG: 3697000 15.5437 -1.07329 -3.59006 -1.18309 23.3688 -48.7433 -8.6052 -47.61 9.92986 TIMING: 3697000 CPU: 10712.3, 0.00288231/step Wall: 10712.3, 0.00288231/step, 1.04324 hours remaining, 209.636719 MB of memory in use. ENERGY: 3697000 785.9276 2102.5235 1965.4401 114.6113 -205938.5697 17537.4726 0.0000 0.0000 34039.3865 -149393.2083 297.2744 -183432.5948 -149308.3744 298.2623 -307.3459 -277.1143 559341.7909 16.4533 16.2808 PRESSURE: 3697200 258.244 129.268 19.6922 129.268 -381.535 22.0989 19.6906 22.0976 -187.992 GPRESSURE: 3697200 272.408 146.01 -53.5298 139.674 -367.013 69.7981 9.37327 -34.7747 -113.893 PRESSAVG: 3697200 -33.7782 -8.41267 -28.6633 -8.41275 13.56 1.57491 -28.6634 1.57501 4.57842 GPRESSAVG: 3697200 -33.1536 -7.52303 -29.8016 -8.53522 13.1621 2.90002 -25.5379 2.75479 4.29311 TIMING: 3697200 CPU: 10712.9, 0.00287643/step Wall: 10712.9, 0.00287643/step, 1.04095 hours remaining, 209.636719 MB of memory in use. ENERGY: 3697200 787.8793 2111.0022 1950.8007 110.4571 -206110.2839 17729.4747 0.0000 0.0000 34091.4534 -149329.2166 297.7291 -183420.6699 -149235.2785 298.5090 -103.7611 -69.4994 559499.9492 -5.2133 -5.2328 PRESSURE: 3697400 -232.549 -67.4856 -46.6966 -67.4845 -151.612 45.0878 -46.697 45.0873 -85.5656 GPRESSURE: 3697400 -181.94 -24.6703 2.07482 -112.079 -103.323 88.6937 -53.7783 50.4917 -86.8675 PRESSAVG: 3697400 2.41617 20.9047 -47.8922 20.9047 36.4952 46.5476 -47.8923 46.5476 -65.2952 GPRESSAVG: 3697400 4.23697 20.6403 -47.9823 21.5938 36.0736 44.598 -49.4914 46.0319 -66.786 TIMING: 3697400 CPU: 10713.5, 0.00287516/step Wall: 10713.5, 0.00287516/step, 1.04033 hours remaining, 209.636719 MB of memory in use. ENERGY: 3697400 796.5732 2102.0407 1962.8123 114.8850 -206100.0640 17722.8500 0.0000 0.0000 34254.9598 -149145.9431 299.1571 -183400.9028 -149054.3129 298.5037 -156.5756 -124.0437 559323.6880 -8.7946 -8.8251 PRESSURE: 3697600 101.286 49.9453 133.135 49.9458 52.1746 19.8805 133.135 19.8801 -230.759 GPRESSURE: 3697600 118.271 80.2562 159.192 41.03 89.2177 83.6715 120.979 -44.4802 -185.981 PRESSAVG: 3697600 45.7104 3.26697 25.8307 3.26708 -8.87771 63.5352 25.8308 63.5351 -30.4949 GPRESSAVG: 3697600 43.0011 4.78619 23.8782 4.89645 -8.17555 64.3259 25.6828 64.8666 -28.8019 TIMING: 3697600 CPU: 10714.1, 0.00288041/step Wall: 10714.1, 0.00288041/step, 1.04207 hours remaining, 209.636719 MB of memory in use. ENERGY: 3697600 766.9761 2054.2629 1953.3324 126.0775 -205993.1890 17821.7373 0.0000 0.0000 34005.1441 -149265.6587 296.9754 -183270.8027 -149165.6569 299.0144 -25.7662 7.1691 558886.7163 2.1126 2.0079 PRESSURE: 3697800 -100.06 13.1189 165.408 13.1182 -23.4457 -85.9542 165.407 -85.9542 -219.298 GPRESSURE: 3697800 -52.1876 -75.5502 277.121 20.9739 10.9622 -74.1122 156.31 -137.153 -200.392 PRESSAVG: 3697800 26.6071 -55.8701 49.2878 -55.87 -14.0417 -6.39526 49.2878 -6.3952 -10.2847 GPRESSAVG: 3697800 27.607 -57.7619 49.5683 -57.1302 -13.7434 -5.65078 49.2094 -7.28194 -11.6068 TIMING: 3697800 CPU: 10714.6, 0.00288119/step Wall: 10714.6, 0.00288119/step, 1.04219 hours remaining, 209.636719 MB of memory in use. ENERGY: 3697800 750.9871 2089.7206 1950.0533 105.6916 -206150.5718 17709.6145 0.0000 0.0000 34324.2793 -149220.2254 299.7625 -183544.5047 -149123.1044 299.2208 -114.2680 -80.5392 559345.0033 0.7602 0.7523 PRESSURE: 3698000 73.2879 99.7271 -15.264 99.7273 271.99 52.3286 -15.2631 52.3295 -132.079 GPRESSURE: 3698000 140.134 156.387 -24.41 41.3026 269.831 118.786 9.14321 35.0507 -98.6851 PRESSAVG: 3698000 17.6765 -25.6932 38.7763 -25.6933 16.3208 17.688 38.7764 17.6879 -75.6462 GPRESSAVG: 3698000 17.8136 -25.7183 38.6804 -25.6467 15.4692 17.638 40.0827 19.4958 -74.8678 TIMING: 3698000 CPU: 10715.2, 0.00287679/step Wall: 10715.2, 0.00287679/step, 1.04044 hours remaining, 209.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3698000 702.8184 2115.5628 1947.9883 123.9817 -206186.0739 17778.1648 0.0000 0.0000 34212.7300 -149304.8280 298.7883 -183517.5579 -149207.1422 299.6263 71.0663 103.7599 557089.5416 -13.8830 -13.8617 PRESSURE: 3698200 75.3869 79.9322 92.3997 79.9324 52.6114 101.953 92.4001 101.953 73.1135 GPRESSURE: 3698200 55.9899 98.4961 99.9412 47.8931 160.948 177.914 -9.09238 1.11969 76.4121 PRESSAVG: 3698200 -6.94378 -56.9698 15.2344 -56.9699 19.885 29.551 15.2344 29.551 15.9243 GPRESSAVG: 3698200 -5.99886 -56.4436 13.8879 -53.7607 19.1816 28.8647 17.3653 28.1423 15.6518 TIMING: 3698200 CPU: 10715.8, 0.00288041/step Wall: 10715.8, 0.00288041/step, 1.04159 hours remaining, 209.636719 MB of memory in use. ENERGY: 3698200 730.1984 2081.1889 1928.5257 111.3123 -206083.5090 18045.9963 0.0000 0.0000 34257.4068 -148928.8808 299.1785 -183186.2875 -148834.5296 298.8199 67.0373 97.7832 559508.7550 9.6219 9.6115 PRESSURE: 3698400 250.827 -6.74019 -6.42257 -6.73885 -345.131 -98.2064 -6.42166 -98.2055 206.864 GPRESSURE: 3698400 285.135 -40.1076 70.455 51.7212 -288.904 -95.3857 -67.5898 -116.551 217.208 PRESSAVG: 3698400 12.5462 -28.8251 -20.6028 -28.8253 -22.6565 -17.0044 -20.6028 -17.0043 -16.0677 GPRESSAVG: 3698400 11.6908 -28.713 -19.3681 -28.7782 -21.8917 -17.7837 -23.6145 -16.4571 -14.9881 TIMING: 3698400 CPU: 10716.4, 0.00286799/step Wall: 10716.4, 0.00286799/step, 1.03694 hours remaining, 209.636719 MB of memory in use. ENERGY: 3698400 747.6616 2102.8553 1932.9952 118.7225 -205771.6272 17935.8360 0.0000 0.0000 34250.3281 -148683.2285 299.1166 -182933.5566 -148595.9336 299.9096 37.5198 71.1463 558762.5503 -8.7260 -8.3963 PRESSURE: 3698600 88.0793 31.7935 101.869 31.7933 -305.137 -22.6424 101.87 -22.6424 -32.0323 GPRESSURE: 3698600 113.906 62.8699 103.297 -40.8845 -301.853 -38.5577 50.8937 28.5401 19.7457 PRESSAVG: 3698600 3.20851 -25.2634 34.2979 -25.2635 -11.1231 39.3333 34.2979 39.3332 -14.1466 GPRESSAVG: 3698600 2.72857 -25.265 34.6122 -27.2288 -10.8848 41.812 35.7876 38.308 -14.1213 TIMING: 3698600 CPU: 10717, 0.00288759/step Wall: 10717, 0.00288759/step, 1.04386 hours remaining, 209.636719 MB of memory in use. ENERGY: 3698600 747.6940 2063.1910 1959.9762 101.0096 -205740.0106 17676.2881 0.0000 0.0000 34552.2522 -148639.5995 301.7534 -183191.8517 -148538.1327 300.0731 -83.0300 -56.0672 557930.3801 -7.3537 -7.4258 PRESSURE: 3698800 249.551 61.1526 104.946 61.1536 294.892 62.5073 104.945 62.5067 152.6 GPRESSURE: 3698800 264.808 34.244 37.5955 103.77 378.141 56.9608 119.578 100.455 156.449 PRESSAVG: 3698800 49.6916 37.0405 -7.25382 37.0405 -3.9968 2.92468 -7.25379 2.92472 -10.4999 GPRESSAVG: 3698800 50.2321 37.1892 -6.39753 36.9927 -3.06731 2.54797 -7.02853 3.01429 -11.8814 TIMING: 3698800 CPU: 10717.5, 0.00286152/step Wall: 10717.5, 0.00286152/step, 1.03428 hours remaining, 209.636719 MB of memory in use. ENERGY: 3698800 724.7854 2114.2035 1935.3657 117.7302 -206181.0676 18038.9670 0.0000 0.0000 34428.5976 -148821.4183 300.6735 -183250.0159 -148726.7138 300.1176 232.3478 266.4658 556791.5197 11.7316 11.7612 PRESSURE: 3699000 -150.162 58.6317 -68.274 58.6321 -154.774 -59.5702 -68.2732 -59.5711 -18.6979 GPRESSURE: 3699000 -129.796 35.0836 -18.8648 4.19572 -91.3907 -16.4515 -17.0001 -57.8383 0.76891 PRESSAVG: 3699000 7.01097 51.892 30.1431 51.892 -55.7727 30.3403 30.1432 30.3403 26.1862 GPRESSAVG: 3699000 6.41553 52.1917 30.0023 49.7702 -56.571 27.8953 29.1583 32.0796 27.3602 TIMING: 3699000 CPU: 10718.1, 0.00287387/step Wall: 10718.1, 0.00287387/step, 1.03859 hours remaining, 209.636719 MB of memory in use. ENERGY: 3699000 757.3900 2106.5863 1932.4555 106.2092 -205849.8760 17551.3788 0.0000 0.0000 34570.5534 -148825.3029 301.9132 -183395.8563 -148733.8365 300.2751 -107.8778 -73.4724 556256.5761 -7.5252 -7.5984 PRESSURE: 3699200 -104.069 -5.8391 -8.31006 -5.84112 -92.8943 115.945 -8.31069 115.944 -152.334 GPRESSURE: 3699200 -66.6824 122.45 100.486 -19.1279 9.8301 110.761 -59.0884 79.5751 -202.038 PRESSAVG: 3699200 33.3451 18.7385 2.88595 18.7385 79.4424 12.1219 2.88597 12.1219 -23.9829 GPRESSAVG: 3699200 33.8689 18.2594 4.04472 20.0509 79.2657 15.7759 2.23942 10.5079 -24.2105 TIMING: 3699200 CPU: 10718.7, 0.00287738/step Wall: 10718.7, 0.00287738/step, 1.03969 hours remaining, 209.636719 MB of memory in use. ENERGY: 3699200 731.5273 2097.0398 1964.5244 111.6584 -205775.6023 17374.9469 0.0000 0.0000 34535.4033 -148960.5022 301.6063 -183495.9056 -148859.5073 300.5921 -116.4325 -86.2968 556260.1593 29.6015 29.6414 PRESSURE: 3699400 6.37219 141.524 33.5381 141.524 -121.223 -12.8203 33.5368 -12.823 -196.673 GPRESSURE: 3699400 71.9515 109.797 57.0841 92.5374 -130.696 -76.1012 28.1657 18.4522 -156.306 PRESSAVG: 3699400 -2.87376 -20.4244 -45.0893 -20.4243 24.0078 -11.6718 -45.0894 -11.6718 -40.0236 GPRESSAVG: 3699400 -2.52685 -20.1062 -46.7407 -20.2588 22.2976 -11.6177 -44.4088 -11.9448 -38.7337 TIMING: 3699400 CPU: 10719.2, 0.00287564/step Wall: 10719.2, 0.00287564/step, 1.03891 hours remaining, 209.636719 MB of memory in use. ENERGY: 3699400 767.2758 2097.4276 1927.9138 112.3041 -206048.1598 17628.3414 0.0000 0.0000 34220.2690 -149294.6281 298.8541 -183514.8971 -149198.6950 300.3100 -103.8413 -71.6837 557327.1714 -6.2965 -6.3210 PRESSURE: 3699600 -63.2374 11.5304 -13.2948 11.5308 -62.4391 -100.251 -13.2951 -100.251 -91.246 GPRESSURE: 3699600 -16.5014 -42.0059 31.4282 49.3492 -7.77539 -89.1571 -18.1424 -132.497 -85.6843 PRESSAVG: 3699600 22.8917 19.9356 31.2635 19.9356 -62.7926 -31.1384 31.2635 -31.1384 46.0025 GPRESSAVG: 3699600 21.6459 19.1792 32.9967 21.8711 -59.3453 -32.8044 29.4446 -30.3167 44.0306 TIMING: 3699600 CPU: 10719.8, 0.00286628/step Wall: 10719.8, 0.00286628/step, 1.03537 hours remaining, 209.636719 MB of memory in use. ENERGY: 3699600 750.9895 2098.5098 1934.3712 112.0564 -206352.8754 17829.7293 0.0000 0.0000 34439.5152 -149187.7041 300.7689 -183627.2193 -149097.4605 299.2257 -72.3075 -36.6537 557871.6190 2.0339 2.1104 PRESSURE: 3699800 -135.613 41.0474 91.0435 41.0471 -269.622 139.35 91.0423 139.351 -248.532 GPRESSURE: 3699800 -71.7299 22.0785 130.953 6.86565 -245.959 130.902 97.7682 101.616 -251.211 PRESSAVG: 3699800 45.4074 -27.8561 -2.63623 -27.8561 -89.5615 -32.4311 -2.63626 -32.4312 15.9513 GPRESSAVG: 3699800 45.9278 -28.5278 -3.23597 -27.2808 -91.4862 -32.7554 -2.45459 -32.8934 17.1082 TIMING: 3699800 CPU: 10720.4, 0.00286012/step Wall: 10720.4, 0.00286012/step, 1.03298 hours remaining, 209.636719 MB of memory in use. ENERGY: 3699800 743.3559 2067.3978 1956.3847 115.0463 -205676.8054 17525.8795 0.0000 0.0000 34286.1740 -148982.5671 299.4297 -183268.7411 -148887.1543 300.2433 -217.9220 -189.6333 558880.8252 -9.4010 -9.4834 PRESSURE: 3700000 -9.84537 81.6327 -154.179 81.6317 248.891 -18.4882 -154.179 -18.4905 131.376 GPRESSURE: 3700000 48.2598 36.5606 -124.908 34.9857 278.327 38.5482 -229.79 -23.2192 145.895 PRESSAVG: 3700000 -20.7185 -27.2664 34.9459 -27.2664 34.9841 3.45337 34.946 3.45334 48.9486 GPRESSAVG: 3700000 -20.2885 -26.6902 35.7961 -29.4148 33.5532 3.31807 35.0357 4.54078 49.6065 TIMING: 3700000 CPU: 10721, 0.00286921/step Wall: 10721, 0.0028692/step, 1.0361 hours remaining, 209.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3700000 721.2301 2124.9056 1959.7493 127.8620 -206027.7467 17935.6511 0.0000 0.0000 34197.3916 -148960.9569 298.6543 -183158.3486 -148867.3749 299.9462 123.4737 157.4939 558467.4500 21.0714 20.9571 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3700000 WRITING COORDINATES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3700200 -125.629 94.885 -82.9208 94.8839 18.3607 -158.546 -82.9214 -158.546 -230.834 GPRESSURE: 3700200 -92.2768 72.4663 -112.474 50.4002 38.3568 -156.339 15.8674 -56.0746 -187.664 PRESSAVG: 3700200 25.789 17.6121 4.5305 17.6122 -17.8007 -12.8157 4.53047 -12.8157 18.3682 GPRESSAVG: 3700200 25.8021 18.0434 3.09468 17.3059 -15.6285 -12.6387 5.98506 -14.1574 16.6377 TIMING: 3700200 CPU: 10721.6, 0.00295997/step Wall: 10721.6, 0.00295997/step, 1.06871 hours remaining, 209.636719 MB of memory in use. ENERGY: 3700200 744.4676 2104.7216 1980.6652 112.2469 -206041.8567 17665.0596 0.0000 0.0000 34472.7846 -148961.9112 301.0594 -183434.6958 -148865.5280 299.3539 -112.7008 -80.5280 557882.4913 8.7855 8.9371 LDB: ============= START OF LOAD BALANCING ============== 10724.9 LDB: ============== END OF LOAD BALANCING =============== 10724.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10724.9 LDB: ============= START OF LOAD BALANCING ============== 10725.2 LDB: Largest compute 4792 load 0.027577 is 23.4% of average load 0.118019 LDB: Average compute 0.001721 is 1.5% of average load 0.118019 LDB: TIME 10725.2 LOAD: AVG 0.118019 MAX 0.178202 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.148 MB LDB: TIME 10725.2 LOAD: AVG 0.118019 MAX 0.178202 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 10725.2 LOAD: AVG 0.118019 MAX 0.178202 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10725.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10725.2 PRESSURE: 3700400 -28.0722 -268.085 -80.0421 -268.086 -56.1708 28.7449 -80.0437 28.745 -70.1569 GPRESSURE: 3700400 19.4841 -367.703 -33.0545 -146.696 -12.6687 45.1119 -65.5738 34.8344 -57.6712 PRESSAVG: 3700400 43.9113 -34.8259 3.12101 -34.8259 0.759855 -55.8444 3.12097 -55.8445 -33.7534 GPRESSAVG: 3700400 43.8592 -35.8535 3.7059 -33.6558 0.444597 -55.7529 1.97753 -54.9206 -33.0748 TIMING: 3700400 CPU: 10722.1, 0.00292025/step Wall: 10722.1, 0.00292025/step, 1.05421 hours remaining, 211.171875 MB of memory in use. ENERGY: 3700400 760.9140 2113.9006 1951.6094 110.5698 -205951.6412 17755.4836 0.0000 0.0000 34189.7492 -149069.4146 298.5876 -183259.1638 -148970.6330 300.5370 -51.4666 -16.9519 558198.1050 3.6392 3.7430 PRESSURE: 3700600 -398.963 64.2667 -184.101 64.2669 81.3722 24.1844 -184.101 24.1831 -131.498 GPRESSURE: 3700600 -368.093 117.155 -256.89 -40.3818 108.975 -29.4546 -126.124 -5.71129 -87.4323 PRESSAVG: 3700600 7.33665 -28.2738 -63.3775 -28.2737 37.1481 -3.82104 -63.3776 -3.82089 -67.1826 GPRESSAVG: 3700600 8.62307 -28.1949 -62.446 -28.7346 36.6411 -5.94758 -61.8037 -2.31309 -68.003 TIMING: 3700600 CPU: 10722.7, 0.00288038/step Wall: 10722.7, 0.00288038/step, 1.03966 hours remaining, 211.628906 MB of memory in use. ENERGY: 3700600 735.3459 2107.9721 1939.1425 112.6643 -205596.7298 17370.9056 0.0000 0.0000 34191.3322 -149139.3673 298.6014 -183330.6995 -149048.3709 299.4340 -149.6964 -115.5168 557678.5804 -7.5660 -7.5796 PRESSURE: 3700800 -262.718 72.2671 -168.499 72.2687 -97.5766 -37.6669 -168.5 -37.6685 -278.109 GPRESSURE: 3700800 -276.704 133.934 -255.066 101.64 -50.1169 -34.1616 -132.011 -7.73112 -221.344 PRESSAVG: 3700800 -17.6116 40.231 -50.6407 40.2311 57.9487 -55.4137 -50.6408 -55.4137 7.12559 GPRESSAVG: 3700800 -18.3064 40.0213 -52.0803 41.7505 58.8821 -53.3662 -49.9041 -57.8952 6.81541 TIMING: 3700800 CPU: 10723.3, 0.00287332/step Wall: 10723.3, 0.00287332/step, 1.03695 hours remaining, 211.628906 MB of memory in use. ENERGY: 3700800 741.4716 2119.6164 1936.8885 125.8692 -205790.0455 17482.1825 0.0000 0.0000 34142.4887 -149241.5285 298.1748 -183384.0172 -149140.4064 298.7745 -212.8011 -182.7214 558346.3094 15.8209 15.7971 PRESSURE: 3701000 -109.659 156.206 54.9418 156.206 79.7172 134.228 54.9428 134.228 166.594 GPRESSURE: 3701000 -79.1469 123.594 16.6053 147.413 115.864 104.723 -64.7223 149.154 195.13 PRESSAVG: 3701000 -42.164 -8.43701 -53.8135 -8.43699 -18.9489 55.7215 -53.8135 55.7215 37.2179 GPRESSAVG: 3701000 -43.0056 -8.0315 -53.1927 -10.0572 -18.1402 55.504 -55.2664 56.8947 37.5221 TIMING: 3701000 CPU: 10723.9, 0.00288316/step Wall: 10723.9, 0.00288316/step, 1.04034 hours remaining, 211.628906 MB of memory in use. ENERGY: 3701000 749.0302 2049.2297 1955.1486 110.9987 -206180.3652 17829.2780 0.0000 0.0000 34206.2068 -149280.4733 298.7313 -183486.6801 -149183.8918 298.6123 45.5508 77.2827 558400.8687 -7.9650 -7.8746 PRESSURE: 3701200 19.8563 152.449 -141.321 152.449 -78.1005 -21.1024 -141.321 -21.1024 -252.204 GPRESSURE: 3701200 120.054 134.373 -219.182 148.788 -98.9625 26.3567 -157.241 -38.0443 -241.751 PRESSAVG: 3701200 -47.6272 18.8631 6.58965 18.8631 -15.9899 32.3967 6.5896 32.3967 70.9819 GPRESSAVG: 3701200 -45.9797 19.3519 5.99067 17.2386 -17.417 33.0277 8.25443 30.5253 71.0721 TIMING: 3701200 CPU: 10724.4, 0.00287317/step Wall: 10724.4, 0.00287317/step, 1.03657 hours remaining, 211.683594 MB of memory in use. ENERGY: 3701200 770.4653 2094.6116 1962.6215 115.3263 -206238.7898 17746.1746 0.0000 0.0000 34271.6327 -149277.9579 299.3027 -183549.5906 -149177.6287 299.2498 -103.4827 -73.5531 559327.5325 2.4549 2.5585 PRESSURE: 3701400 141.379 -68.1716 13.7548 -68.1721 -255.984 13.8649 13.7555 13.8633 -157.79 GPRESSURE: 3701400 179.056 -195.199 60.5946 -86.162 -268.691 10.6766 -16.2991 -65.8208 -99.9161 PRESSAVG: 3701400 -6.1497 19.2535 2.56354 19.2534 -61.6786 51.5047 2.56353 51.5048 15.4676 GPRESSAVG: 3701400 -5.62955 17.7202 4.75589 20.62 -61.2825 50.4729 -0.592989 54.2323 14.6104 TIMING: 3701400 CPU: 10725, 0.00287482/step Wall: 10725, 0.00287482/step, 1.03701 hours remaining, 211.683594 MB of memory in use. ENERGY: 3701400 761.9248 2102.4726 1936.9146 115.6175 -206244.2258 17765.4051 0.0000 0.0000 34421.5626 -149140.3287 300.6121 -183561.8913 -149047.7007 299.5904 -90.7985 -63.1836 560037.7602 -17.4536 -17.4339 PRESSURE: 3701600 -87.9071 21.3593 47.0741 21.3595 -317.911 22.3858 47.0743 22.3842 -331.018 GPRESSURE: 3701600 -77.6126 -16.3909 54.836 32.2712 -251.839 32.4307 113.202 58.5373 -310.085 PRESSAVG: 3701600 33.5244 -9.82229 -26.4214 -9.82227 -12.4227 -14.6154 -26.4214 -14.6154 -38.3018 GPRESSAVG: 3701600 32.48 -9.03039 -27.6073 -10.3263 -12.5438 -14.357 -23.4848 -16.0258 -37.3273 TIMING: 3701600 CPU: 10725.6, 0.00285611/step Wall: 10725.6, 0.00285611/step, 1.03011 hours remaining, 211.695312 MB of memory in use. ENERGY: 3701600 827.0678 2102.4157 1934.5945 115.4650 -206088.3296 17694.0232 0.0000 0.0000 34257.6590 -149157.1043 299.1807 -183414.7633 -149062.7500 299.3180 -245.6119 -213.1788 559493.8489 -5.7334 -5.7970 PRESSURE: 3701800 88.3229 -109.109 74.1481 -109.109 65.8827 121.659 74.1483 121.658 -49.4522 GPRESSURE: 3701800 125.201 -122.826 82.7266 -144.479 92.591 113.961 116.316 141.003 -17.7207 PRESSAVG: 3701800 16.1693 -7.3628 19.5886 -7.36287 13.9429 8.07864 19.5887 8.07858 14.8599 GPRESSAVG: 3701800 15.8925 -6.31366 19.8721 -7.14354 14.4386 8.95435 18.8357 6.78682 14.7179 TIMING: 3701800 CPU: 10726.2, 0.00286201/step Wall: 10726.2, 0.00286201/step, 1.03207 hours remaining, 211.695312 MB of memory in use. ENERGY: 3701800 779.5429 2015.0367 1942.0129 98.2760 -206259.8591 17950.8950 0.0000 0.0000 34101.0007 -149373.0948 297.8125 -183474.0955 -149283.7729 299.2188 34.9178 66.6904 557196.0476 14.9907 15.0164 PRESSURE: 3702000 116.754 -0.386102 10.2887 -0.385401 136.175 83.477 10.288 83.4774 -72.9288 GPRESSURE: 3702000 109.602 -27.1421 54.6864 -48.3702 196.808 84.6624 -41.7039 98.4349 -32.4821 PRESSAVG: 3702000 25.1622 -6.29878 -8.81453 -6.29876 10.2815 12.8314 -8.81447 12.8315 -52.7215 GPRESSAVG: 3702000 25.2072 -8.34266 -10.1399 -5.22256 9.86252 12.7774 -9.03318 13.7976 -52.9572 TIMING: 3702000 CPU: 10726.7, 0.00286796/step Wall: 10726.7, 0.00286796/step, 1.03406 hours remaining, 211.695312 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: 3702000 695.6658 2119.9921 1961.4347 111.1051 -206523.5260 17905.4498 0.0000 0.0000 34358.8698 -149371.0087 300.0646 -183729.8785 -149277.2346 298.5177 60.0000 91.3094 557231.9892 -5.7593 -5.9625 PRESSURE: 3702200 -151.54 -1.91174 119.024 -1.91188 205.194 5.64437 119.023 5.64354 -387.074 GPRESSURE: 3702200 -98.647 -34.6883 191.578 57.3051 231.219 15.595 9.30196 -5.53813 -374.149 PRESSAVG: 3702200 32.3823 -33.3007 -38.4516 -33.3008 -16.3618 63.0672 -38.4515 63.0672 3.85302 GPRESSAVG: 3702200 33.3598 -31.0152 -37.4458 -32.256 -18.419 61.7247 -39.2214 63.6653 4.57376 TIMING: 3702200 CPU: 10727.3, 0.00286167/step Wall: 10727.3, 0.00286167/step, 1.03163 hours remaining, 211.695312 MB of memory in use. ENERGY: 3702200 754.3839 2104.1046 1940.0377 119.7401 -206257.6347 17698.6149 0.0000 0.0000 34325.1244 -149315.6291 299.7698 -183640.7534 -149219.8729 299.9228 -111.1403 -80.5257 558329.3593 6.6245 6.5048 PRESSURE: 3702400 -153.332 151.108 80.3274 151.106 202.726 -35.2072 80.3264 -35.2073 -60.7135 GPRESSURE: 3702400 -119.324 150.741 10.3276 179.59 235.615 -72.4977 134.494 115.288 -36.0372 PRESSAVG: 3702400 6.42096 -17.1241 73.9065 -17.124 39.8039 27.1292 73.9065 27.1291 -43.7387 GPRESSAVG: 3702400 6.36457 -16.7409 73.2495 -18.6621 39.1443 26.4743 74.3099 26.5001 -42.6793 TIMING: 3702400 CPU: 10727.9, 0.00286021/step Wall: 10727.9, 0.00286021/step, 1.03095 hours remaining, 211.695312 MB of memory in use. ENERGY: 3702400 798.4306 2056.0250 1979.0932 112.4768 -206309.8279 17896.4436 0.0000 0.0000 34215.3772 -149251.9814 298.8114 -183467.3587 -149157.8874 299.8787 -3.7732 26.7515 558641.7302 0.8287 0.9432 PRESSURE: 3702600 -259.049 38.2629 -1.49631 38.2628 175.215 -101.054 -1.49627 -101.055 -311.835 GPRESSURE: 3702600 -255.078 34.1207 -76.3687 -1.54073 207.848 -160.458 143.648 -0.220824 -244.491 PRESSAVG: 3702600 -25.8058 45.0349 40.7363 45.035 4.63278 -26.2342 40.7363 -26.2342 21.6117 GPRESSAVG: 3702600 -26.2462 45.155 41.0562 43.9599 6.10621 -23.6317 41.7464 -26.1544 20.2951 TIMING: 3702600 CPU: 10728.5, 0.00285204/step Wall: 10728.5, 0.00285205/step, 1.02785 hours remaining, 211.695312 MB of memory in use. ENERGY: 3702600 774.2184 2111.9453 1940.3539 110.2729 -206271.1454 17711.8410 0.0000 0.0000 34309.9919 -149312.5220 299.6377 -183622.5138 -149216.5909 298.8252 -131.8897 -97.2400 556693.0382 0.1463 0.0517 PRESSURE: 3702800 290.609 58.282 111.723 58.2826 -105.102 -90.359 111.722 -90.3583 -209.309 GPRESSURE: 3702800 340.507 40.1071 137.82 66.5154 -90.7542 -67.9407 214.762 -70.0308 -181.248 PRESSAVG: 3702800 61.6273 -5.9084 -5.86229 -5.90839 14.1773 -84.6146 -5.86234 -84.6147 -106.879 GPRESSAVG: 3702800 60.4942 -8.33037 -6.43883 -4.0681 15.1488 -84.0505 -8.27382 -84.8244 -106.831 TIMING: 3702800 CPU: 10729, 0.00285955/step Wall: 10729, 0.00285955/step, 1.03039 hours remaining, 211.695312 MB of memory in use. ENERGY: 3702800 762.2851 2086.7744 1948.9887 106.1034 -206542.4450 18126.2503 0.0000 0.0000 34282.9373 -149229.1058 299.4014 -183512.0431 -149130.3640 299.2664 -7.9340 22.8349 558606.8493 -10.3580 -10.3960 PRESSURE: 3703000 143.179 66.994 -152.48 66.992 -106.035 166.794 -152.481 166.792 -255.715 GPRESSURE: 3703000 143.286 41.8667 -122.187 99.7785 -50.1279 173.097 -192.052 105.647 -223.921 PRESSAVG: 3703000 39.4765 37.7764 -35.3847 37.7765 46.9146 -37.0887 -35.3848 -37.0886 -97.3197 GPRESSAVG: 3703000 40.1028 37.9901 -35.538 38.3807 46.4302 -37.7865 -34.3308 -37.7401 -97.4681 TIMING: 3703000 CPU: 10729.6, 0.00285967/step Wall: 10729.6, 0.00285967/step, 1.03028 hours remaining, 211.695312 MB of memory in use. ENERGY: 3703000 756.7752 2094.9871 1927.8771 104.0350 -206111.0419 17598.3618 0.0000 0.0000 34384.1904 -149244.8153 300.2857 -183629.0056 -149145.3672 299.4633 -72.8570 -43.5874 556665.5017 -3.6429 -3.6450 PRESSURE: 3703200 -75.8074 139 37.7033 139.001 -344.179 105.074 37.7027 105.073 8.06654 GPRESSURE: 3703200 -31.9146 38.9685 67.0467 238.146 -321.516 -74.8703 12.3209 186.994 29.877 PRESSAVG: 3703200 -15.1699 3.23675 -57.5806 3.23674 -28.5037 -18.5086 -57.5805 -18.5086 57.9064 GPRESSAVG: 3703200 -13.729 3.46101 -56.3555 2.6467 -28.8844 -19.6287 -58.3339 -16.9775 56.5601 TIMING: 3703200 CPU: 10730.2, 0.00288311/step Wall: 10730.2, 0.00288311/step, 1.03856 hours remaining, 211.695312 MB of memory in use. ENERGY: 3703200 762.1817 2148.8536 1956.8404 115.1171 -205985.4431 17532.1292 0.0000 0.0000 34193.3227 -149276.9985 298.6188 -183470.3212 -149175.1248 299.4815 -137.3066 -107.8512 557526.5018 4.7443 4.6489 PRESSURE: 3703400 -130.27 -311.678 -48.9776 -311.678 -156.62 -23.4823 -48.9785 -23.4827 -98.3699 GPRESSURE: 3703400 -101.466 -237.312 -32.5317 -392.385 -155.847 31.4296 -35.8466 -116.821 -35.8572 PRESSAVG: 3703400 -23.8005 86.6469 16.3377 86.647 59.2017 -12.9744 16.3377 -12.9743 -4.89952 GPRESSAVG: 3703400 -24.2563 86.2619 15.2684 84.4006 59.6074 -11.9748 19.0872 -13.3676 -5.21786 TIMING: 3703400 CPU: 10730.7, 0.00287403/step Wall: 10730.7, 0.00287403/step, 1.03513 hours remaining, 211.695312 MB of memory in use. ENERGY: 3703400 765.8517 2111.2664 1921.2406 112.3971 -206010.7536 17725.8547 0.0000 0.0000 34161.6468 -149212.4964 298.3422 -183374.1432 -149112.9120 299.3066 -128.4199 -97.7231 557551.9838 10.1672 10.0444 PRESSURE: 3703600 61.1665 16.7333 138.343 16.7325 202.246 12.1632 138.342 12.1636 -123.385 GPRESSURE: 3703600 63.3264 -2.04353 59.1523 15.0434 250.086 113.599 120.198 -33.4849 -66.8567 PRESSAVG: 3703600 5.0904 -26.2953 25.2304 -26.2953 -63.4615 39.4481 25.2303 39.4481 46.9142 GPRESSAVG: 3703600 4.92008 -25.2926 23.8071 -25.9227 -63.8039 39.8595 23.7849 39.466 47.314 TIMING: 3703600 CPU: 10731.3, 0.00286466/step Wall: 10731.3, 0.00286466/step, 1.0316 hours remaining, 211.695312 MB of memory in use. ENERGY: 3703600 747.1891 2124.0651 1939.0145 112.2319 -206188.9189 17898.5290 0.0000 0.0000 34281.1671 -149086.7223 299.3860 -183367.8893 -148988.1186 299.6822 46.6758 82.1853 557712.8045 -3.8190 -3.8566 PRESSURE: 3703800 29.4854 -51.337 21.5144 -51.3369 -104.053 143.925 21.5152 143.924 -136.954 GPRESSURE: 3703800 97.5649 -58.4108 56.26 -57.5137 -59.7166 141.397 -109.017 228.988 -146.581 PRESSAVG: 3703800 6.79881 51.0683 -49.6552 51.0682 67.9032 6.17562 -49.6552 6.17566 -83.6642 GPRESSAVG: 3703800 7.36142 50.7977 -49.0032 51.4145 67.8397 3.52038 -48.9219 9.30227 -84.1658 TIMING: 3703800 CPU: 10731.9, 0.00286861/step Wall: 10731.9, 0.00286861/step, 1.03286 hours remaining, 211.695312 MB of memory in use. ENERGY: 3703800 736.9888 2115.7018 1959.6611 111.2175 -206145.1698 17776.8344 0.0000 0.0000 34277.3941 -149167.3719 299.3530 -183444.7660 -149078.8296 299.6357 -70.5074 -36.2442 557715.5816 -2.9874 -2.9882 PRESSURE: 3704000 -10.1138 59.4133 -43.0294 59.4129 235.141 105.403 -43.0312 105.402 59.3753 GPRESSURE: 3704000 -30.8467 43.6518 -123.475 32.647 299.779 37.4524 -48.5576 179.629 100.764 PRESSAVG: 3704000 -16.7224 -19.8298 3.43591 -19.8299 54.1232 31.2303 3.43587 31.2303 7.88169 GPRESSAVG: 3704000 -17.1416 -18.2488 5.16411 -20.4882 53.7469 32.6049 1.49229 29.2624 8.91376 TIMING: 3704000 CPU: 10732.5, 0.0028626/step Wall: 10732.5, 0.0028626/step, 1.03053 hours remaining, 211.695312 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: 3704000 727.0715 2097.4593 1962.3511 113.4174 -206352.0697 18003.4834 0.0000 0.0000 34300.3756 -149147.9113 299.5537 -183448.2870 -149059.6489 299.2742 94.8007 123.2321 558444.2302 15.0942 15.1730 PRESSURE: 3704200 65.1912 -92.508 -22.2408 -92.5072 -96.8874 65.1623 -22.2394 65.1631 116.128 GPRESSURE: 3704200 56.2372 -63.1271 -89.631 -85.9633 -15.9416 -49.3102 3.57168 125.641 141.647 PRESSAVG: 3704200 37.6316 -16.6264 69.9865 -16.6264 -29.7919 -3.76618 69.9865 -3.76623 13.6341 GPRESSAVG: 3704200 38.718 -17.5976 66.6567 -16.4848 -30.0877 -0.0273529 70.5231 -7.49261 12.7527 TIMING: 3704200 CPU: 10733, 0.0028907/step Wall: 10733, 0.0028907/step, 1.04049 hours remaining, 211.695312 MB of memory in use. ENERGY: 3704200 721.2743 2067.0092 1954.0136 120.2025 -206101.2195 17740.2825 0.0000 0.0000 34297.5355 -149200.9020 299.5289 -183498.4375 -149106.6010 298.6150 28.1440 60.6477 557711.0646 7.1579 7.1277 LDB: ============= START OF LOAD BALANCING ============== 10736.4 LDB: ============== END OF LOAD BALANCING =============== 10736.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10736.4 LDB: ============= START OF LOAD BALANCING ============== 10736.7 LDB: Largest compute 4792 load 0.026312 is 22.3% of average load 0.118030 LDB: Average compute 0.001722 is 1.5% of average load 0.118030 LDB: TIME 10736.7 LOAD: AVG 0.11803 MAX 0.178602 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.18 MB LDB: TIME 10736.7 LOAD: AVG 0.11803 MAX 0.178602 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.25 MB LDB: TIME 10736.7 LOAD: AVG 0.11803 MAX 0.178602 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10736.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10736.7 PRESSURE: 3704400 151.322 -76.0376 182.785 -76.037 -101.296 53.7371 182.785 53.7387 80.4368 GPRESSURE: 3704400 145.982 -119.001 223.276 -36.405 -43.6251 14.3948 177.719 80.4082 130.159 PRESSAVG: 3704400 -26.5972 22.9124 4.92638 22.9124 59.2554 28.8235 4.92642 28.8235 0.945227 GPRESSAVG: 3704400 -27.8163 23.3934 6.77176 24.0708 59.2716 26.933 5.25404 30.6213 2.52645 TIMING: 3704400 CPU: 10733.6, 0.00295328/step Wall: 10733.6, 0.00295328/step, 1.06285 hours remaining, 210.988281 MB of memory in use. ENERGY: 3704400 744.4921 2127.1517 1941.2443 116.9479 -206091.2471 17885.4134 0.0000 0.0000 34233.0567 -149042.9410 298.9658 -183275.9977 -148951.6621 299.4589 43.4875 77.5050 557894.2258 11.2011 11.3273 PRESSURE: 3704600 121.671 108.137 15.9354 108.138 -75.21 -69.24 15.9355 -69.2407 -116.883 GPRESSURE: 3704600 157.098 71.6382 55.9744 92.9171 -4.36236 -149.807 -4.34186 -147.118 -121.801 PRESSAVG: 3704600 91.2816 21.1608 -19.52 21.1609 -30.059 -6.84462 -19.52 -6.84458 -51.1509 GPRESSAVG: 3704600 91.202 22.1139 -19.4468 19.0219 -29.1241 -9.2693 -18.2744 -6.19472 -52.1468 TIMING: 3704600 CPU: 10734.2, 0.00288844/step Wall: 10734.2, 0.00288844/step, 1.03936 hours remaining, 211.191406 MB of memory in use. ENERGY: 3704600 732.2675 2072.3816 1988.3339 110.1041 -206167.6038 17849.5479 0.0000 0.0000 34343.0074 -149071.9614 299.9260 -183414.9688 -148971.9000 299.7102 -23.4740 10.3116 557981.1458 3.3572 3.3104 PRESSURE: 3704800 35.9993 57.7923 76.686 57.7928 -312.555 73.7412 76.6858 73.7395 -146.849 GPRESSURE: 3704800 42.4368 75.9438 3.76722 159.869 -271.497 0.0217229 83.1506 165.583 -96.1671 PRESSAVG: 3704800 63.3536 -6.1297 -7.05969 -6.12967 -84.3426 20.8748 -7.05971 20.8747 40.0412 GPRESSAVG: 3704800 63.7772 -8.34912 -7.29723 -4.58934 -84.4222 22.0395 -9.05924 19.1091 39.6747 TIMING: 3704800 CPU: 10734.8, 0.00287652/step Wall: 10734.8, 0.00287652/step, 1.03491 hours remaining, 211.191406 MB of memory in use. ENERGY: 3704800 745.4378 2082.8119 1970.0505 108.1956 -205665.0291 17518.7075 0.0000 0.0000 34108.5719 -149131.2539 297.8786 -183239.8257 -149041.6873 299.6395 -141.1349 -108.4090 558161.4472 6.3507 6.3433 PRESSURE: 3705000 -270.029 57.8884 76.5781 57.8882 -294.991 73.1859 76.5777 73.1856 -206.402 GPRESSURE: 3705000 -182.994 43.8074 107.109 84.1635 -242.014 53.129 86.7545 116.111 -247.232 PRESSAVG: 3705000 52.5029 -28.1389 -6.60049 -28.1388 -57.0462 52.0472 -6.60055 52.0473 -39.9729 GPRESSAVG: 3705000 51.5072 -27.7504 -5.68212 -28.0439 -57.0512 51.9656 -8.04504 52.9875 -38.9301 TIMING: 3705000 CPU: 10735.4, 0.00287255/step Wall: 10735.4, 0.00287255/step, 1.03332 hours remaining, 211.191406 MB of memory in use. ENERGY: 3705000 750.1434 2098.4618 1956.2312 112.8426 -205755.0980 17353.3955 0.0000 0.0000 34156.3179 -149327.7057 298.2956 -183484.0236 -149231.0703 299.2605 -257.1408 -224.0800 558344.0605 -14.8388 -14.8247 PRESSURE: 3705200 -80.8002 -87.3686 -61.0425 -87.3676 -248.446 158.449 -61.0424 158.45 125.607 GPRESSURE: 3705200 -78.8582 -62.3674 -3.2829 -81.2818 -191.045 152.555 -23.5146 209.768 155.122 PRESSAVG: 3705200 59.0415 -59.1158 -28.5442 -59.1157 -89.3374 53.7535 -28.5441 53.7534 27.1268 GPRESSAVG: 3705200 60.6342 -57.7026 -28.3895 -59.9077 -89.8633 52.9964 -25.4373 54.6382 26.048 TIMING: 3705200 CPU: 10735.9, 0.00288109/step Wall: 10735.9, 0.00288109/step, 1.03623 hours remaining, 211.191406 MB of memory in use. ENERGY: 3705200 724.3341 2125.0622 1982.1090 122.0389 -206275.9436 17726.8733 0.0000 0.0000 34390.8643 -149204.6618 300.3440 -183595.5261 -149110.2833 299.8295 -67.8797 -38.2601 557974.8689 -1.0564 -1.0604 PRESSURE: 3705400 -22.942 103.055 0.634045 103.056 -115.091 -23.2859 0.634859 -23.2851 -289.945 GPRESSURE: 3705400 2.01422 -17.5729 44.4062 272.844 -93.022 -89.454 32.6997 40.5458 -254.327 PRESSAVG: 3705400 35.3963 -45.3476 8.58179 -45.3477 28.5998 41.5803 8.5818 41.5803 -44.4543 GPRESSAVG: 3705400 34.5583 -46.6917 6.94918 -45.3127 29.9523 42.2665 8.53966 42.1109 -45.0877 TIMING: 3705400 CPU: 10736.5, 0.00288366/step Wall: 10736.5, 0.00288366/step, 1.037 hours remaining, 211.191406 MB of memory in use. ENERGY: 3705400 748.1139 2054.1382 1976.1754 129.8124 -205955.9676 17626.2256 0.0000 0.0000 34425.6840 -148995.8181 300.6481 -183421.5021 -148897.7760 300.0136 -142.6591 -115.1116 559560.1152 6.5139 6.4743 PRESSURE: 3705600 -328.805 -123.667 22.5064 -123.668 -184.777 12.6587 22.5058 12.6596 -453.082 GPRESSURE: 3705600 -309.421 -96.8904 49.6181 -107.146 -136.788 52.7396 36.3853 5.37503 -425.502 PRESSAVG: 3705600 5.96906 5.87889 -60.9671 5.87897 15.8942 13.2385 -60.9671 13.2385 -20.4817 GPRESSAVG: 3705600 5.06229 5.51584 -60.4776 4.38189 16.5334 14.5652 -60.4911 11.6058 -20.3158 TIMING: 3705600 CPU: 10737.1, 0.00286287/step Wall: 10737.1, 0.00286287/step, 1.02936 hours remaining, 211.191406 MB of memory in use. ENERGY: 3705600 754.7279 2096.0002 1971.0325 124.8187 -205372.4389 17340.8566 0.0000 0.0000 34426.3963 -148658.6067 300.6543 -183085.0030 -148563.7384 299.9865 -322.2212 -290.5703 561133.1662 0.4605 0.4266 PRESSURE: 3705800 -99.055 -20.8716 -27.2312 -20.8721 -269.135 69.4251 -27.231 69.4238 -170.164 GPRESSURE: 3705800 -15.3021 -103.541 -41.3806 -23.49 -253.953 123.979 -38.3346 -23.6213 -170.506 PRESSAVG: 3705800 63.7675 -5.67411 -53.3234 -5.67423 -6.2453 -66.3058 -53.3233 -66.3057 -18.8661 GPRESSAVG: 3705800 64.7392 -6.71376 -51.3735 -6.01569 -7.98478 -66.3903 -53.8745 -66.7355 -18.0682 TIMING: 3705800 CPU: 10737.7, 0.00286146/step Wall: 10737.7, 0.00286146/step, 1.02869 hours remaining, 211.191406 MB of memory in use. ENERGY: 3705800 761.7144 2046.8850 1944.3085 118.3882 -205496.6172 17545.6169 0.0000 0.0000 34297.4891 -148782.2151 299.5285 -183079.7041 -148681.2616 299.8976 -179.4516 -146.5869 558941.1022 12.8854 12.8954 PRESSURE: 3706000 -213.884 -39.1893 -165.953 -39.1896 173.532 58.7352 -165.953 58.7363 -124.132 GPRESSURE: 3706000 -198.852 14.0954 -237.658 -47.2948 248.819 36.0701 -87.1747 94.2926 -119.562 PRESSAVG: 3706000 38.0662 -17.7012 -19.941 -17.7012 -28.4312 27.4925 -19.9409 27.4925 -12.5484 GPRESSAVG: 3706000 38.0413 -16.2244 -20.5216 -16.4214 -27.3187 26.5692 -21.5475 28.7074 -13.0967 TIMING: 3706000 CPU: 10738.2, 0.00289011/step Wall: 10738.2, 0.00289011/step, 1.03883 hours remaining, 211.191406 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: 3706000 772.9347 2104.2198 1939.6624 123.8909 -205872.1666 17637.1079 0.0000 0.0000 34226.4884 -149067.8626 298.9084 -183294.3510 -148972.9939 300.2561 -54.8279 -23.1981 558119.4993 -0.9711 -0.7914 PRESSURE: 3706200 -41.4156 -42.1383 -94.995 -42.1386 -109.654 -87.0889 -94.9961 -87.0894 -167.245 GPRESSURE: 3706200 -34.3189 19.985 -99.8266 -82.7185 -56.2436 -32.7553 -129.151 -102.989 -129.777 PRESSAVG: 3706200 48.816 -9.11805 -56.0095 -9.11793 53.0135 -24.3989 -56.0094 -24.3988 -96.392 GPRESSAVG: 3706200 49.1012 -7.89073 -55.8828 -9.46976 51.9108 -23.5626 -55.7989 -26.2154 -95.5258 TIMING: 3706200 CPU: 10738.8, 0.00290081/step Wall: 10738.8, 0.00290081/step, 1.04252 hours remaining, 211.191406 MB of memory in use. ENERGY: 3706200 744.6589 2119.1696 1958.6372 113.9015 -206286.1841 17884.1440 0.0000 0.0000 34282.6474 -149183.0257 299.3989 -183465.6731 -149082.8461 299.4230 -106.1046 -73.4466 558521.4221 1.8125 1.8287 PRESSURE: 3706400 -56.7949 30.0927 41.1577 30.0919 35.8087 -22.9818 41.1586 -22.9822 66.5888 GPRESSURE: 3706400 -19.3064 -6.49789 -30.5219 70.3453 74.3787 21.7017 134.775 -93.3537 85.2889 PRESSAVG: 3706400 21.5325 -42.0592 -65.6821 -42.0593 -5.99624 6.12 -65.6821 6.12007 7.16139 GPRESSAVG: 3706400 20.0839 -44.8815 -68.5837 -41.4265 -5.03126 7.32271 -64.6022 8.249 7.73998 TIMING: 3706400 CPU: 10739.4, 0.00289329/step Wall: 10739.4, 0.00289329/step, 1.03965 hours remaining, 211.191406 MB of memory in use. ENERGY: 3706400 729.4723 2122.0419 1944.8914 111.4901 -206118.5402 17706.5480 0.0000 0.0000 34240.3090 -149263.7874 299.0291 -183504.0964 -149167.3104 299.4454 15.2009 46.7871 557424.6249 7.5659 7.5975 PRESSURE: 3706600 172.055 -114.544 102.594 -114.544 156.095 87.0451 102.594 87.0443 383.444 GPRESSURE: 3706600 253.134 -47.1518 76.1592 -100.08 195.886 65.2551 119.603 126.03 360.517 PRESSAVG: 3706600 2.98443 -15.1231 -48.8481 -15.123 -50.6174 45.269 -48.8482 45.269 10.9531 GPRESSAVG: 3706600 5.09884 -13.9373 -47.3613 -16.0694 -51.9625 45.0797 -46.7516 44.4324 10.3511 TIMING: 3706600 CPU: 10740, 0.00286498/step Wall: 10740, 0.00286498/step, 1.02932 hours remaining, 211.191406 MB of memory in use. ENERGY: 3706600 716.3662 2096.5448 1915.5852 111.1272 -206477.7094 18166.4578 0.0000 0.0000 34252.3766 -149219.2517 299.1345 -183471.6282 -149122.8838 298.8923 237.1979 269.8457 556204.4865 -12.2266 -12.1708 PRESSURE: 3706800 12.8519 58.6592 -39.618 58.6604 -5.29538 -67.5818 -39.617 -67.579 16.0163 GPRESSURE: 3706800 17.8669 88.2458 -81.7857 13.0827 -2.35698 -79.4353 1.41744 -35.7394 114.249 PRESSAVG: 3706800 45.3641 -41.6522 -64.2924 -41.6521 -16.9865 -3.01909 -64.2924 -3.01926 -68.1926 GPRESSAVG: 3706800 43.6673 -41.1048 -64.5065 -40.6728 -15.5251 -4.6737 -67.509 -3.38923 -68.2484 TIMING: 3706800 CPU: 10740.5, 0.00289205/step Wall: 10740.5, 0.00289205/step, 1.03889 hours remaining, 211.191406 MB of memory in use. ENERGY: 3706800 740.2711 2099.9235 1934.5759 102.6649 -206332.7301 17921.9866 0.0000 0.0000 34349.9529 -149183.3552 299.9867 -183533.3080 -149092.3848 299.5780 7.8576 43.2531 556918.2275 -13.2717 -13.3687 PRESSURE: 3707000 -131.443 -173.415 -36.7444 -173.415 -225.494 -91.5309 -36.7447 -91.5305 -120.118 GPRESSURE: 3707000 -45.5944 -107.078 -11.635 -139.25 -254.295 -92.9471 -26.8785 -139.581 -86.7129 PRESSAVG: 3707000 -71.5702 -37.3646 -76.1901 -37.3646 26.3293 -26.3517 -76.1901 -26.3517 24.8861 GPRESSAVG: 3707000 -69.5732 -36.1722 -74.101 -38.5544 25.2206 -23.7056 -76.0243 -26.4232 24.2371 TIMING: 3707000 CPU: 10741.1, 0.0028726/step Wall: 10741.1, 0.0028726/step, 1.03174 hours remaining, 211.191406 MB of memory in use. ENERGY: 3707000 764.1386 2060.2401 1932.9023 118.1709 -205632.5800 17398.0880 0.0000 0.0000 34183.5741 -149175.4661 298.5337 -183359.0402 -149078.1166 299.2243 -159.0185 -128.8673 557914.6139 -6.7849 -6.7052 PRESSURE: 3707200 43.7106 245.909 -46.8965 245.91 -190.766 -32.811 -46.8969 -32.8109 -150.806 GPRESSURE: 3707200 26.5267 199.714 0.892427 136.288 -106.83 40.1789 -43.8008 -77.9608 -118.934 PRESSAVG: 3707200 51.2966 23.0813 16.3043 23.0813 -30.7627 14.0676 16.3043 14.0676 -51.8215 GPRESSAVG: 3707200 50.266 20.1948 13.5463 23.2678 -29.8873 13.1444 17.3435 13.9722 -51.6489 TIMING: 3707200 CPU: 10741.7, 0.00288971/step Wall: 10741.7, 0.00288971/step, 1.03773 hours remaining, 211.191406 MB of memory in use. ENERGY: 3707200 743.7872 2103.5638 1973.2170 121.0394 -206178.3433 17812.2852 0.0000 0.0000 34326.1510 -149098.2997 299.7788 -183424.4507 -149000.2078 300.1431 -99.2871 -66.4126 556805.7868 -10.4292 -10.4234 PRESSURE: 3707400 -343.06 67.1703 94.9454 67.1692 -143.154 111.655 94.9453 111.655 -396.739 GPRESSURE: 3707400 -304.121 153.099 70.8748 177.222 -99.7086 110.581 45.37 39.0336 -382.762 PRESSAVG: 3707400 -30.6479 35.3443 -16.7032 35.3442 1.50757 -14.3662 -16.7032 -14.3661 28.7672 GPRESSAVG: 3707400 -31.4471 36.7674 -16.5281 34.4007 2.09179 -16.3666 -17.3748 -13.9693 29.0978 TIMING: 3707400 CPU: 10742.3, 0.00289738/step Wall: 10742.3, 0.00289738/step, 1.04032 hours remaining, 211.191406 MB of memory in use. ENERGY: 3707400 768.3222 2089.6247 1964.1149 118.6844 -205870.2006 17449.8584 0.0000 0.0000 34193.1282 -149286.4678 298.6171 -183479.5960 -149186.2074 299.0500 -294.3179 -262.1972 557062.3315 -0.1244 -0.0858 PRESSURE: 3707600 -125.936 -168.596 -176.921 -168.597 152.682 -29.7928 -176.921 -29.7928 -24.3195 GPRESSURE: 3707600 -118.402 -159.992 -166.369 -77.936 132.263 -20.5079 -138.697 33.0335 87.939 PRESSAVG: 3707600 -17.3915 5.91724 -28.9039 5.91728 -9.14543 25.4558 -28.9039 25.4558 -33.9592 GPRESSAVG: 3707600 -16.2885 5.11952 -27.7184 7.61167 -11.2321 28.674 -29.2326 24.3635 -32.5861 TIMING: 3707600 CPU: 10742.9, 0.00289586/step Wall: 10742.9, 0.00289586/step, 1.03961 hours remaining, 211.394531 MB of memory in use. ENERGY: 3707600 751.3287 2098.0214 1958.5676 119.4154 -206246.4777 17773.0876 0.0000 0.0000 34299.7115 -149246.3455 299.5479 -183546.0569 -149154.7013 298.9910 0.8090 33.9333 558114.5502 -20.1654 -20.0356 PRESSURE: 3707800 -372.982 -19.5492 -46.1573 -19.5492 -309.598 12.7468 -46.156 12.7467 -293.988 GPRESSURE: 3707800 -289.563 26.1531 -69.5415 -41.3823 -324.375 72.9899 -74.3074 -48.5189 -262.7 PRESSAVG: 3707800 17.6729 -4.1922 -23.9886 -4.19224 104.131 51.503 -23.9887 51.503 -63.673 GPRESSAVG: 3707800 17.548 -4.16067 -23.9939 -2.02733 105.76 48.5019 -24.8965 51.7423 -65.1784 TIMING: 3707800 CPU: 10743.4, 0.00288684/step Wall: 10743.4, 0.00288684/step, 1.03621 hours remaining, 211.394531 MB of memory in use. ENERGY: 3707800 736.7018 2084.9169 1946.3351 121.0383 -205917.5103 17488.3733 0.0000 0.0000 34198.9935 -149341.1513 298.6683 -183540.1448 -149242.8863 299.2394 -325.5224 -292.2125 559685.4664 19.3769 19.3765 PRESSURE: 3708000 108.081 188.721 9.80483 188.722 15.9006 17.7345 9.80509 17.7332 79.7219 GPRESSURE: 3708000 179.345 234.349 66.9846 95.317 22.475 14.706 24.0899 76.959 91.4446 PRESSAVG: 3708000 32.3542 -34.7496 39.5584 -34.7496 -26.2356 62.7554 39.5584 62.7553 -45.2641 GPRESSAVG: 3708000 31.3486 -34.7034 39.409 -36.9983 -25.5638 64.5045 41.8812 62.6127 -44.9499 TIMING: 3708000 CPU: 10744, 0.00287504/step Wall: 10744, 0.00287504/step, 1.03182 hours remaining, 211.394531 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: 3708000 741.6559 2070.7916 1966.4306 102.2726 -206284.0039 17875.3957 0.0000 0.0000 34077.1261 -149450.3315 297.6040 -183527.4576 -149351.4559 298.7437 67.9012 97.7548 556590.0863 -13.0485 -13.0550 PRESSURE: 3708200 44.8754 -33.3389 3.29837 -33.3391 74.0428 102.45 3.29739 102.449 190.069 GPRESSURE: 3708200 134.233 -89.4583 10.5261 -6.7799 135.061 109.695 -28.1487 17.0987 160.872 PRESSAVG: 3708200 2.49481 4.17925 -19.6855 4.1791 60.2871 107.335 -19.6854 107.335 -57.7963 GPRESSAVG: 3708200 3.24319 4.97954 -18.7547 4.73408 59.5449 108.629 -21.1164 105.79 -57.7563 TIMING: 3708200 CPU: 10744.6, 0.00290301/step Wall: 10744.6, 0.00290301/step, 1.0417 hours remaining, 211.394531 MB of memory in use. ENERGY: 3708200 726.0430 2102.2872 1953.8799 123.6990 -206411.0960 17869.3747 0.0000 0.0000 34040.6669 -149595.1453 297.2856 -183635.8122 -149496.9643 298.3974 102.9957 143.3886 556576.0222 1.6619 1.6773 LDB: ============= START OF LOAD BALANCING ============== 10748 LDB: ============== END OF LOAD BALANCING =============== 10748 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10748 LDB: ============= START OF LOAD BALANCING ============== 10748.3 LDB: Largest compute 4792 load 0.025716 is 21.8% of average load 0.117980 LDB: Average compute 0.001723 is 1.5% of average load 0.117980 LDB: TIME 10748.3 LOAD: AVG 0.11798 MAX 0.179605 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 10748.3 LOAD: AVG 0.11798 MAX 0.179605 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.703 MB LDB: TIME 10748.3 LOAD: AVG 0.11798 MAX 0.179605 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.703 MB LDB: ============== END OF LOAD BALANCING =============== 10748.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10748.3 PRESSURE: 3708400 238.979 -54.6378 221.084 -54.6386 121.21 67.9607 221.083 67.9625 -18.3535 GPRESSURE: 3708400 217.708 -41.4555 204.805 -102.642 140.545 29.8297 184.081 51.2884 86.1521 PRESSAVG: 3708400 54.2727 -14.5808 48.8601 -14.5807 41.8401 26.4314 48.8601 26.4314 -85.2188 GPRESSAVG: 3708400 54.2835 -15.0717 48.2524 -15.0596 41.6734 26.6907 50.2189 26.2206 -84.8722 TIMING: 3708400 CPU: 10745.2, 0.00293502/step Wall: 10745.2, 0.00293502/step, 1.05302 hours remaining, 211.433594 MB of memory in use. ENERGY: 3708400 757.2514 2078.4742 1948.5417 113.8441 -206977.1355 18165.5365 0.0000 0.0000 34280.8239 -149632.6637 299.3830 -183913.4876 -149537.5185 297.9822 113.9451 148.1352 558172.1017 3.6313 3.6949 PRESSURE: 3708600 -107.867 193.4 105.14 193.4 -280.998 23.0824 105.139 23.0826 20.9018 GPRESSURE: 3708600 -77.4074 141.481 87.441 172.23 -219.702 60.5026 124.898 -82.6247 31.0698 PRESSAVG: 3708600 113.977 -33.1778 -1.20702 -33.1778 -39.4673 7.49249 -1.20696 7.49249 -31.945 GPRESSAVG: 3708600 113.558 -32.5311 -1.13501 -31.6895 -37.8729 4.92564 -1.67676 9.28597 -33.3188 TIMING: 3708600 CPU: 10745.8, 0.0028673/step Wall: 10745.8, 0.0028673/step, 1.02856 hours remaining, 211.433594 MB of memory in use. ENERGY: 3708600 746.4629 2100.8901 1964.0135 109.2551 -206396.0291 17766.9833 0.0000 0.0000 34259.4267 -149448.9975 299.1961 -183708.4241 -149354.6769 298.6458 -122.6547 -88.6799 558050.2814 14.1882 14.1222 PRESSURE: 3708800 -183.098 25.1745 43.9736 25.1753 -193.951 135.77 43.9737 135.768 -47.6501 GPRESSURE: 3708800 -154.96 -12.5523 -4.02206 43.0631 -167.369 147.947 185.987 143.949 4.65398 PRESSAVG: 3708800 -20.7639 18.3171 29.6176 18.3171 -39.9506 41.5936 29.6176 41.5936 4.69703 GPRESSAVG: 3708800 -21.3718 16.3061 29.5292 18.758 -41.3709 43.3119 30.3752 42.5068 6.14207 TIMING: 3708800 CPU: 10746.3, 0.00283954/step Wall: 10746.3, 0.00283954/step, 1.01845 hours remaining, 211.433594 MB of memory in use. ENERGY: 3708800 728.4597 2096.3057 1949.3972 107.4996 -206167.1422 17602.1545 0.0000 0.0000 34076.9973 -149606.3282 297.6029 -183683.3256 -149508.9724 298.8157 -141.5663 -105.8919 557329.0972 -18.6725 -18.8669 PRESSURE: 3709000 61.3979 7.40307 -115.041 7.40354 231.536 -117.911 -115.04 -117.91 -35.2485 GPRESSURE: 3709000 45.8289 -2.35806 -93.3304 36.8962 287.821 -104.654 -57.2848 -73.2873 9.88708 PRESSAVG: 3709000 -50.0147 -7.90106 -55.49 -7.90102 91.8578 -5.82037 -55.49 -5.82049 -37.8709 GPRESSAVG: 3709000 -50.9301 -2.94931 -55.5199 -12.1031 92.2005 -6.82747 -57.1177 -5.62891 -37.2735 TIMING: 3709000 CPU: 10746.9, 0.00286692/step Wall: 10746.9, 0.00286692/step, 1.02811 hours remaining, 211.433594 MB of memory in use. ENERGY: 3709000 729.8547 2082.1221 1964.8361 117.7839 -206777.8778 18057.0936 0.0000 0.0000 34268.7172 -149557.4702 299.2772 -183826.1874 -149462.5428 298.7156 85.8953 114.5123 557698.4704 1.3241 1.3323 PRESSURE: 3709200 -242.774 117.551 -43.3235 117.549 -183.996 -43.4293 -43.3246 -43.4283 -469.81 GPRESSURE: 3709200 -185.051 139.859 -62.2367 -26.3325 -134.54 -75.865 1.19672 46.0915 -468.643 PRESSAVG: 3709200 -2.03702 1.9642 -1.4004 1.96413 54.2171 1.28261 -1.40042 1.28273 -67.2609 GPRESSAVG: 3709200 -0.0113775 -1.622 -1.16047 5.73463 54.1875 3.54086 -0.375768 0.407873 -69.3282 TIMING: 3709200 CPU: 10747.5, 0.00288307/step Wall: 10747.5, 0.00288307/step, 1.03374 hours remaining, 211.433594 MB of memory in use. ENERGY: 3709200 760.7797 2113.1200 1950.7539 104.9460 -205858.3344 17539.4861 0.0000 0.0000 34037.4250 -149351.8237 297.2573 -183389.2487 -149252.2644 298.1727 -298.8599 -262.7448 559360.3150 -5.0269 -5.0507 PRESSURE: 3709400 -190.939 -0.133995 40.4462 -0.133466 -295.906 -9.79371 40.4471 -9.79284 4.27248 GPRESSURE: 3709400 -190.37 9.06511 101.601 -31.8401 -258.31 19.2148 12.117 -33.5761 51.7006 PRESSAVG: 3709400 13.4561 -26.4226 30.5336 -26.4225 -18.3669 23.1581 30.5335 23.158 16.5638 GPRESSAVG: 3709400 11.8218 -23.8971 30.683 -29.2328 -18.1121 22.1656 30.0829 24.7369 17.8282 TIMING: 3709400 CPU: 10748, 0.00287568/step Wall: 10748, 0.00287568/step, 1.03093 hours remaining, 211.488281 MB of memory in use. ENERGY: 3709400 790.4039 2138.1844 1980.7322 118.0543 -206243.8126 17769.3778 0.0000 0.0000 34096.3730 -149350.6871 297.7721 -183447.0601 -149251.3701 298.4050 -160.8576 -132.3265 559552.5420 3.8843 3.8460 PRESSURE: 3709600 3.06029 -4.55095 -79.5831 -4.55219 255.588 -216.112 -79.583 -216.111 72.6227 GPRESSURE: 3709600 -0.293083 -17.9653 -55.2092 22.8784 304.685 -215.127 -46.2178 -230.433 122.898 PRESSAVG: 3709600 24.6025 -25.1428 -2.98442 -25.1427 7.87303 -46.1757 -2.98443 -46.1757 -79.2432 GPRESSAVG: 3709600 24.9496 -28.3911 -1.97428 -22.052 8.02207 -46.0681 -4.98534 -48.2234 -79.6173 TIMING: 3709600 CPU: 10748.6, 0.00287517/step Wall: 10748.6, 0.00287517/step, 1.03059 hours remaining, 211.488281 MB of memory in use. ENERGY: 3709600 763.4579 2032.4127 1982.9295 109.9935 -206657.1648 18047.2599 0.0000 0.0000 34428.3616 -149292.7496 300.6714 -183721.1112 -149198.5122 298.8350 110.4237 142.4298 557642.9205 -15.5892 -15.5485 PRESSURE: 3709800 219.128 -123.836 -52.124 -123.835 -194.073 181.724 -52.1239 181.724 -148.548 GPRESSURE: 3709800 324.396 -89.0012 -20.0911 -82.2686 -214.753 139.306 -31.3596 151.797 -136.182 PRESSAVG: 3709800 -7.34696 16.1591 29.6673 16.1592 81.056 -15.8435 29.6673 -15.8435 -59.4993 GPRESSAVG: 3709800 -6.85926 19.0986 28.1428 13.5741 80.3921 -12.1485 31.8178 -16.5888 -59.2812 TIMING: 3709800 CPU: 10749.2, 0.00288267/step Wall: 10749.2, 0.00288267/step, 1.03312 hours remaining, 211.488281 MB of memory in use. ENERGY: 3709800 738.0710 2070.7592 1974.7540 102.0248 -205862.0609 17574.8646 0.0000 0.0000 34211.6561 -149189.9311 298.7789 -183401.5872 -149096.2550 299.4974 -41.1645 -8.8462 556868.0335 4.7366 4.7506 PRESSURE: 3710000 326.052 -203.333 85.9212 -203.333 -58.4359 -125.967 85.92 -125.969 120.772 GPRESSURE: 3710000 352.076 -290.1 98.1064 -177.487 -52.537 -42.8603 90.5117 -81.9225 181.117 PRESSAVG: 3710000 12.1386 -0.495689 -45.9981 -0.495698 62.872 -110.859 -45.9981 -110.859 -33.9882 GPRESSAVG: 3710000 11.658 -1.27865 -44.2709 -0.226754 62.2279 -114.836 -46.7007 -109.526 -33.2019 TIMING: 3710000 CPU: 10749.8, 0.00287204/step Wall: 10749.8, 0.00287204/step, 1.02915 hours remaining, 211.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3710000 720.4921 2062.3634 1963.1062 119.6940 -206598.1791 18099.2727 0.0000 0.0000 34459.7814 -149173.4692 300.9458 -183633.2506 -149082.5302 299.2987 129.4627 160.2188 557235.0468 13.6742 13.5614 PRESSURE: 3710200 137.109 -37.9914 -155.782 -37.9909 -25.9807 -317.204 -155.782 -317.203 240.455 GPRESSURE: 3710200 209.42 53.3013 -150.165 -29.3766 -34.6175 -328.198 -159.606 -264.824 269.695 PRESSAVG: 3710200 107.933 6.87118 13.7674 6.87121 -67.6689 -43.7306 13.7673 -43.7307 -19.9004 GPRESSAVG: 3710200 107.426 7.14623 12.9006 5.44515 -66.9964 -41.9989 14.2838 -44.9804 -20.5723 TIMING: 3710200 CPU: 10750.3, 0.00287133/step Wall: 10750.3, 0.00287133/step, 1.02873 hours remaining, 211.488281 MB of memory in use. ENERGY: 3710200 711.3558 2105.6571 1968.6325 122.7108 -206369.4725 17842.6476 0.0000 0.0000 34209.9320 -149408.5367 298.7638 -183618.4687 -149304.7710 298.3981 117.1944 148.1658 557275.4953 6.7880 6.6192 PRESSURE: 3710400 -23.6753 -94.7389 145.362 -94.7395 -101.243 13.3638 145.361 13.3647 -151.852 GPRESSURE: 3710400 38.3658 -117.064 153.17 -118.23 -63.6577 72.3298 42.965 -1.18553 -142.387 PRESSAVG: 3710400 6.06609 21.3462 -63.8771 21.3463 -28.8471 -23.5845 -63.8771 -23.5843 23.8567 GPRESSAVG: 3710400 5.49797 23.4277 -63.6122 21.5977 -28.8659 -24.5794 -65.9833 -23.1567 25.1148 TIMING: 3710400 CPU: 10750.9, 0.00285909/step Wall: 10750.9, 0.00285909/step, 1.02419 hours remaining, 211.488281 MB of memory in use. ENERGY: 3710400 720.6050 2131.8734 1930.4102 99.9450 -206174.5118 17840.4617 0.0000 0.0000 34063.9082 -149387.3083 297.4886 -183451.2165 -149288.8218 298.2379 -92.2567 -55.8931 558474.8825 0.3586 0.5823 PRESSURE: 3710600 -111.167 -66.0907 45.235 -66.0914 -102.821 -26.2366 45.2347 -26.2362 -40.553 GPRESSURE: 3710600 -87.7733 -65.9568 94.3756 72.371 -77.0402 -14.6349 17.8447 -42.4345 5.01691 PRESSAVG: 3710600 -24.303 47.9824 -37.6181 47.9824 72.0925 -25.9458 -37.618 -25.9458 15.427 GPRESSAVG: 3710600 -24.0784 46.3055 -37.0095 46.8481 72.0196 -24.67 -38.0776 -25.3812 14.9135 TIMING: 3710600 CPU: 10751.5, 0.00287296/step Wall: 10751.5, 0.00287296/step, 1.029 hours remaining, 211.488281 MB of memory in use. ENERGY: 3710600 739.8890 2077.5906 1947.9459 101.4792 -206236.3827 17683.6727 0.0000 0.0000 34125.9007 -149559.9046 298.0300 -183685.8053 -149470.6795 298.1430 -84.8468 -53.2655 559071.2978 21.0722 20.9516 PRESSURE: 3710800 -57.1481 93.0516 -13.7819 93.0506 179.434 -35.2484 -13.7827 -35.2484 -93.4336 GPRESSURE: 3710800 -32.3974 15.9426 -21.5299 147.168 193.936 -75.8307 -35.397 -34.7623 -50.713 PRESSAVG: 3710800 -37.4479 5.32507 -69.9468 5.32506 60.8105 1.86661 -69.9468 1.86652 -10.2876 GPRESSAVG: 3710800 -37.462 3.53416 -71.0667 9.66505 60.938 -2.229 -67.8356 3.24363 -9.96531 TIMING: 3710800 CPU: 10752.1, 0.00289891/step Wall: 10752.1, 0.00289891/step, 1.03813 hours remaining, 211.488281 MB of memory in use. ENERGY: 3710800 709.4504 2097.8374 1956.0720 120.2242 -206503.9604 17888.3446 0.0000 0.0000 34371.3244 -149360.7074 300.1733 -183732.0318 -149267.5387 297.8523 9.6175 36.9417 558629.1332 4.3583 4.5036 PRESSURE: 3711000 96.6524 -9.07711 -3.16353 -9.07679 92.1154 248.209 -3.1631 248.209 -334.456 GPRESSURE: 3711000 126.073 28.8944 -53.0703 -15.0078 87.8724 207.212 7.36233 239.726 -257.223 PRESSAVG: 3711000 -45.2717 29.805 5.35933 29.8051 27.0325 13.7092 5.35936 13.7092 34.7666 GPRESSAVG: 3711000 -44.7312 32.3815 5.48759 28.0944 27.0985 17.1462 5.09818 12.7795 33.9953 TIMING: 3711000 CPU: 10752.7, 0.00290111/step Wall: 10752.7, 0.00290111/step, 1.03876 hours remaining, 211.488281 MB of memory in use. ENERGY: 3711000 748.1017 2065.7799 1948.2904 104.6805 -206219.4137 17961.7175 0.0000 0.0000 34054.1931 -149336.6507 297.4037 -183390.8438 -149246.4691 298.5809 -48.5627 -14.4258 559001.2313 5.5091 5.4542 PRESSURE: 3711200 24.4058 112.046 -187.786 112.045 -1.28776 92.6323 -187.785 92.6332 -128.958 GPRESSURE: 3711200 61.1856 26.9043 -249.208 118.672 6.57737 21.0015 -159.62 62.4568 -73.8596 PRESSAVG: 3711200 30.8326 85.85 7.32502 85.8501 39.7354 -13.3967 7.32492 -13.3967 -16.1288 GPRESSAVG: 3711200 30.9399 83.9297 5.98206 85.3826 38.2794 -14.4982 6.46894 -14.2221 -15.4069 TIMING: 3711200 CPU: 10753.2, 0.00287226/step Wall: 10753.2, 0.00287226/step, 1.02827 hours remaining, 211.488281 MB of memory in use. ENERGY: 3711200 740.7874 2071.1938 1952.4682 103.6298 -206014.3093 17703.1954 0.0000 0.0000 34174.4652 -149268.5694 298.4541 -183443.0346 -149167.8081 299.0215 -35.2799 -2.0322 557901.1325 18.1464 17.9374 PRESSURE: 3711400 -84.7626 104.418 -41.1151 104.418 125.083 -12.0085 -41.1157 -12.0088 93.9995 GPRESSURE: 3711400 -47.6187 182.452 3.85886 59.7303 145.371 76.769 -129.867 -38.5539 124.327 PRESSAVG: 3711400 32.0352 28.5786 -14.9726 28.5786 -11.5227 22.7199 -14.9725 22.72 -7.21376 GPRESSAVG: 3711400 32.1154 30.3556 -11.866 27.7496 -11.3798 21.8665 -14.6751 22.2736 -8.2601 TIMING: 3711400 CPU: 10753.8, 0.0028787/step Wall: 10753.8, 0.0028787/step, 1.03042 hours remaining, 211.488281 MB of memory in use. ENERGY: 3711400 739.5139 2073.1633 1954.7432 114.1149 -206033.6915 17836.4804 0.0000 0.0000 34121.4018 -149194.2739 297.9907 -183315.6757 -149106.3574 298.8334 44.7734 74.0264 558876.0367 4.4329 4.1585 PRESSURE: 3711600 -104.139 -76.1677 152.35 -76.1674 37.3807 -3.43862 152.35 -3.439 -257.568 GPRESSURE: 3711600 -101.944 -141.74 172.858 -69.803 11.8393 -12.8956 95.5241 -8.37402 -150.383 PRESSAVG: 3711600 15.2335 -0.137907 28.5075 -0.137924 -18.9772 45.9108 28.5075 45.9108 -38.7643 GPRESSAVG: 3711600 13.7584 -1.49854 26.8207 3.23253 -19.4886 47.8537 28.5752 45.6064 -36.93 TIMING: 3711600 CPU: 10754.4, 0.00286279/step Wall: 10754.4, 0.00286279/step, 1.02456 hours remaining, 211.488281 MB of memory in use. ENERGY: 3711600 743.3410 2057.9042 1956.3947 106.7698 -206353.7328 17876.9427 0.0000 0.0000 34411.8920 -149200.4883 300.5276 -183612.3803 -149098.2934 299.0350 -108.1086 -80.1626 558102.8127 -14.1694 -14.2201 PRESSURE: 3711800 -71.9881 161.179 47.8616 161.181 -192.228 123.588 47.8622 123.589 22.2947 GPRESSURE: 3711800 -32.3937 115.709 85.6824 186.034 -172.803 94.8908 8.25488 107.391 52.0031 PRESSAVG: 3711800 -2.22859 -4.11819 -41.2266 -4.11824 -27.8753 30.4972 -41.2265 30.4973 37.2344 GPRESSAVG: 3711800 -2.58215 -3.96089 -40.6897 -7.04862 -27.213 30.2815 -41.5912 30.3791 37.3717 TIMING: 3711800 CPU: 10754.9, 0.00286295/step Wall: 10754.9, 0.00286295/step, 1.02446 hours remaining, 211.488281 MB of memory in use. ENERGY: 3711800 757.8458 2067.7470 1924.1357 123.4442 -206044.0488 17628.6165 0.0000 0.0000 34273.8786 -149268.3810 299.3223 -183542.2597 -149174.9501 299.2171 -80.6406 -51.0646 557895.3537 2.3768 2.5255 PRESSURE: 3712000 -24.1021 84.9362 127.13 84.9361 73.0669 -109.74 127.129 -109.742 193.931 GPRESSURE: 3712000 -1.34443 164.506 54.1491 106.759 122.695 -75.6142 171.396 -112.33 227.848 PRESSAVG: 3712000 -2.64113 27.0642 -77.6397 27.0643 -18.5771 -1.42234 -77.6396 -1.42221 39.2217 GPRESSAVG: 3712000 -1.93959 27.2651 -77.7366 28.2234 -17.7595 -0.40911 -78.9043 -0.281245 37.8215 TIMING: 3712000 CPU: 10755.5, 0.00287775/step Wall: 10755.5, 0.00287775/step, 1.02959 hours remaining, 211.691406 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: 3712000 731.7015 2068.3034 1949.0856 106.6187 -206323.8560 17830.1747 0.0000 0.0000 34299.0340 -149338.9380 299.5420 -183637.9720 -149240.8397 298.8175 80.9652 116.3998 556894.9809 6.0011 6.0408 PRESSURE: 3712200 -24.9711 133.047 16.9434 133.047 229.499 -282.606 16.9445 -282.604 -43.238 GPRESSURE: 3712200 58.0642 144.522 45.8521 146.148 228.887 -300.696 -17.8995 -102.881 -19.6695 PRESSAVG: 3712200 22.909 -7.99595 -45.7972 -7.99592 2.83923 -31.3723 -45.7973 -31.3723 -14.7487 GPRESSAVG: 3712200 23.6605 -7.12772 -46.1826 -8.45116 2.57307 -32.0319 -44.1019 -30.4918 -15.1313 TIMING: 3712200 CPU: 10756.1, 0.00286546/step Wall: 10756.1, 0.00286546/step, 1.02504 hours remaining, 211.691406 MB of memory in use. ENERGY: 3712200 739.7115 2041.1136 1963.0770 111.7725 -206420.5108 17985.1385 0.0000 0.0000 34316.3785 -149263.3193 299.6935 -183579.6978 -149168.3866 299.1771 53.7633 89.0940 557609.6428 3.6665 3.7007 LDB: ============= START OF LOAD BALANCING ============== 10759.5 LDB: ============== END OF LOAD BALANCING =============== 10759.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10759.5 LDB: ============= START OF LOAD BALANCING ============== 10759.8 LDB: Largest compute 4792 load 0.025344 is 21.5% of average load 0.118056 LDB: Average compute 0.001729 is 1.5% of average load 0.118056 LDB: TIME 10759.8 LOAD: AVG 0.118056 MAX 0.180455 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.77 MB LDB: TIME 10759.8 LOAD: AVG 0.118056 MAX 0.180455 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: TIME 10759.8 LOAD: AVG 0.118056 MAX 0.180455 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10759.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10759.8 PRESSURE: 3712400 -7.8577 78.5287 125.771 78.529 -180.021 197.701 125.77 197.699 -287.68 GPRESSURE: 3712400 5.99894 -5.0734 164.927 80.8863 -140.831 199.308 88.4601 171.722 -236.875 PRESSAVG: 3712400 -33.794 54.2165 11.0846 54.2164 27.2766 22.1042 11.0847 22.1042 -18.1 GPRESSAVG: 3712400 -34.6604 54.5162 12.1617 54.8243 27.2645 20.4986 8.85405 21.9775 -17.0285 TIMING: 3712400 CPU: 10756.7, 0.00292284/step Wall: 10756.7, 0.00292284/step, 1.0454 hours remaining, 211.820312 MB of memory in use. ENERGY: 3712400 789.2081 2046.1930 1902.3756 107.6555 -206063.6733 17573.4743 0.0000 0.0000 34178.9342 -149465.8328 298.4931 -183644.7670 -149371.5159 298.7288 -158.5197 -123.9025 557531.1983 -8.2058 -8.1414 PRESSURE: 3712600 131.571 61.3362 78.0786 61.336 287.056 -52.4771 78.079 -52.4756 319.758 GPRESSURE: 3712600 179.997 113.074 105.807 54.3928 327.344 13.3768 124.14 11.4728 329.539 PRESSAVG: 3712600 -69.277 11.4094 -2.24436 11.4094 57.8319 31.6046 -2.24418 31.6045 -42.9204 GPRESSAVG: 3712600 -69.1308 11.0064 -5.60408 12.2852 58.9638 32.0706 0.371411 31.0722 -43.8932 TIMING: 3712600 CPU: 10757.3, 0.00288708/step Wall: 10757.3, 0.00288708/step, 1.03245 hours remaining, 211.820312 MB of memory in use. ENERGY: 3712600 756.4128 2054.7833 1916.8489 106.7311 -206487.2558 18169.0371 0.0000 0.0000 34120.7131 -149362.7296 297.9847 -183483.4427 -149272.0081 298.6570 246.1282 278.9599 556296.7763 -18.1218 -18.0201 PRESSURE: 3712800 33.9805 -152.678 51.6089 -152.677 -216.083 5.47522 51.6087 5.47505 187.38 GPRESSURE: 3712800 119.315 -163.808 -36.4591 -137.821 -202.411 -19.0537 100.707 -115.684 195.219 PRESSAVG: 3712800 6.8317 -3.56877 17.9243 -3.56875 -1.52229 -31.4801 17.9243 -31.4801 -7.69353 GPRESSAVG: 3712800 7.96439 -6.23763 19.3287 -2.9086 -2.84286 -31.61 15.985 -32.3292 -7.38182 TIMING: 3712800 CPU: 10757.8, 0.00287416/step Wall: 10757.8, 0.00287416/step, 1.02767 hours remaining, 211.820312 MB of memory in use. ENERGY: 3712800 723.9663 2029.0184 1941.5430 116.1340 -206295.1456 17810.9518 0.0000 0.0000 34307.8398 -149365.6923 299.6189 -183673.5321 -149272.8684 299.0011 1.7593 37.3741 557088.9168 -0.7947 -0.7534 PRESSURE: 3713000 50.8568 38.3753 87.6901 38.3752 -106.04 -11.8846 87.6909 -11.8854 20.0437 GPRESSURE: 3713000 77.2974 49.4979 54.8409 -4.62406 -34.7829 18.3392 75.3615 22.4733 19.2873 PRESSAVG: 3713000 72.6718 -57.0874 12.4416 -57.0875 -39.0966 -27.4173 12.4417 -27.4174 4.4718 GPRESSAVG: 3713000 71.5802 -56.5215 12.2007 -59.9306 -39.1827 -27.2278 12.083 -26.226 4.91325 TIMING: 3713000 CPU: 10758.4, 0.00287055/step Wall: 10758.4, 0.00287055/step, 1.02622 hours remaining, 211.820312 MB of memory in use. ENERGY: 3713000 773.4149 2027.5174 1953.9646 119.6402 -206182.0432 17760.3501 0.0000 0.0000 34309.7138 -149237.4422 299.6353 -183547.1559 -149146.1942 299.1824 -11.7131 20.6006 557727.3015 12.6823 12.4369 PRESSURE: 3713200 83.3164 -9.47686 -161.833 -9.47718 58.1753 -40.1873 -161.832 -40.1883 90.5778 GPRESSURE: 3713200 184.341 -54.0807 -168.006 60.2074 100.362 -36.4707 -171.493 -39.7449 60.1437 PRESSAVG: 3713200 49.9486 21.5286 11.1172 21.5285 -42.2504 29.8484 11.1173 29.8483 -12.9952 GPRESSAVG: 3713200 50.5184 21.4327 11.7035 21.9536 -43.3181 31.1172 12.732 30.9541 -12.5653 TIMING: 3713200 CPU: 10759, 0.0028874/step Wall: 10759, 0.0028874/step, 1.03209 hours remaining, 211.820312 MB of memory in use. ENERGY: 3713200 676.9237 2052.3790 1945.9492 116.6608 -206228.9179 17885.2827 0.0000 0.0000 34210.4624 -149341.2601 298.7685 -183551.7224 -149244.6114 298.9860 77.3565 114.9490 557562.0280 -1.7657 -1.7883 PRESSURE: 3713400 -54.4249 41.7821 0.352837 41.7815 -296.617 122.01 0.351694 122.009 185.098 GPRESSURE: 3713400 -40.2315 124.605 -106.899 -26.8115 -211.105 155.623 4.63639 51.8092 185.903 PRESSAVG: 3713400 12.3476 -43.7489 -73.0131 -43.7488 -26.7781 9.24542 -73.0131 9.24546 25.8554 GPRESSAVG: 3713400 12.4876 -43.9251 -74.4514 -44.2329 -24.8563 8.37456 -72.496 6.07531 24.2298 TIMING: 3713400 CPU: 10759.6, 0.00288052/step Wall: 10759.6, 0.00288052/step, 1.02946 hours remaining, 211.820312 MB of memory in use. ENERGY: 3713400 700.7329 2092.2255 1925.0418 103.0383 -206371.1552 17821.7092 0.0000 0.0000 34213.7253 -149514.6822 298.7970 -183728.4074 -149412.8152 298.0075 -55.3146 -21.8110 557831.3082 3.8083 3.9537 PRESSURE: 3713600 -131.486 -26.706 166.229 -26.7069 -52.8114 34.0713 166.229 34.0727 -467.789 GPRESSURE: 3713600 -87.9288 -26.4085 139.843 -21.808 -33.539 17.5961 112.923 -36.8098 -425.818 PRESSAVG: 3713600 6.92991 -40.0093 -10.5604 -40.0092 -16.5933 36.429 -10.5603 36.429 -12.1037 GPRESSAVG: 3713600 8.06589 -39.265 -11.5491 -39.4923 -17.5106 36.1759 -10.4226 36.2046 -11.719 TIMING: 3713600 CPU: 10760.1, 0.00287508/step Wall: 10760.1, 0.00287508/step, 1.02736 hours remaining, 211.820312 MB of memory in use. ENERGY: 3713600 724.2840 2087.4722 1935.7232 111.9222 -206110.2454 17653.6759 0.0000 0.0000 34248.8798 -149348.2882 299.1040 -183597.1679 -149241.8742 298.3257 -217.3623 -182.4287 559378.7450 -7.2557 -7.0546 PRESSURE: 3713800 -101.308 -64.1014 15.0354 -64.1011 -328.664 -46.1354 15.035 -46.1348 202.848 GPRESSURE: 3713800 -15.6732 26.6801 51.4026 -165.037 -293.967 -55.1342 68.7112 -83.3545 180.476 PRESSAVG: 3713800 33.6592 -9.17492 50.2581 -9.17489 27.4857 13.5652 50.2582 13.5651 -7.58357 GPRESSAVG: 3713800 32.4379 -8.33561 52.3477 -8.16879 27.5859 15.2907 49.1339 14.7323 -6.26375 TIMING: 3713800 CPU: 10760.7, 0.00288524/step Wall: 10760.7, 0.00288524/step, 1.03083 hours remaining, 211.820312 MB of memory in use. ENERGY: 3713800 703.4469 2067.8150 1909.2193 105.7258 -206199.1440 17749.9491 0.0000 0.0000 34340.4463 -149322.5415 299.9037 -183662.9879 -149231.2155 299.2871 -75.7081 -43.0547 557891.3458 17.8538 17.9200 PRESSURE: 3714000 -160.931 49.2107 27.5468 49.2083 -172.862 12.6002 27.5467 12.601 -264.734 GPRESSURE: 3714000 -179.106 48.4018 -33.6491 34.4218 -83.1985 -2.96998 43.0943 -22.4009 -226.772 PRESSAVG: 3714000 -10.1251 2.53976 15.8975 2.53978 28.7466 -11.5075 15.8975 -11.5076 -24.2483 GPRESSAVG: 3714000 -9.89872 2.88736 15.1285 1.37791 29.3684 -14.0502 16.7583 -11.7396 -25.1065 TIMING: 3714000 CPU: 10761.3, 0.00289542/step Wall: 10761.3, 0.00289542/step, 1.03431 hours remaining, 211.820312 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: 3714000 784.2393 2071.1441 1914.5008 112.5725 -206152.6212 17647.7039 0.0000 0.0000 34352.5252 -149269.9354 300.0091 -183622.4607 -149174.3260 298.6317 -199.5091 -163.0256 557083.8925 -1.8756 -1.8789 PRESSURE: 3714200 -283.031 124.089 -58.4625 124.09 -75.1342 78.4546 -58.4621 78.4551 -172.454 GPRESSURE: 3714200 -259.84 118.103 -10.0688 184.381 -41.2146 90.3905 -65.279 54.3629 -137.461 PRESSAVG: 3714200 24.7006 34.7575 18.2127 34.7574 -42.689 -1.21072 18.2127 -1.21075 12.6611 GPRESSAVG: 3714200 24.3649 33.1134 18.2575 34.1369 -42.723 -1.93406 19.3089 0.437903 12.4488 TIMING: 3714200 CPU: 10761.9, 0.00286322/step Wall: 10761.9, 0.00286322/step, 1.02265 hours remaining, 211.820312 MB of memory in use. ENERGY: 3714200 752.8489 2073.5378 1966.1460 116.7931 -205927.7738 17539.5173 0.0000 0.0000 34238.3881 -149240.5425 299.0124 -183478.9306 -149146.3007 299.0258 -176.8733 -146.1717 557571.7308 -1.7758 -1.9698 PRESSURE: 3714400 -60.1788 -15.1988 -123.179 -15.1984 137.76 136.869 -123.178 136.869 28.0594 GPRESSURE: 3714400 -11.0505 -15.9076 -117.816 89.0568 150.874 131.652 -162.838 81.7124 71.4266 PRESSAVG: 3714400 31.3459 -18.3653 30.1738 -18.3653 -13.9986 25.4544 30.1739 25.4543 -5.14371 GPRESSAVG: 3714400 31.5919 -19.1678 29.3139 -16.5828 -13.9177 27.2744 29.0026 25.1336 -5.00869 TIMING: 3714400 CPU: 10762.4, 0.00287906/step Wall: 10762.4, 0.00287906/step, 1.02814 hours remaining, 211.820312 MB of memory in use. ENERGY: 3714400 747.8856 2092.5177 1937.2470 108.6714 -206198.8369 17841.5151 0.0000 0.0000 34249.3254 -149221.6746 299.1079 -183471.0000 -149127.7951 299.3203 35.2134 70.4168 556169.3874 4.0679 4.2219 PRESSURE: 3714600 44.7495 -96.6414 237.928 -96.6413 197.263 183.631 237.928 183.63 136.857 GPRESSURE: 3714600 115.43 -103.953 180.969 -60.032 209.138 159.3 199.681 130.377 153.84 PRESSAVG: 3714600 6.85828 -30.0179 -28.9063 -30.0179 -22.1602 -11.5353 -28.9063 -11.5353 4.99888 GPRESSAVG: 3714600 7.22429 -28.7238 -27.3956 -33.0913 -21.7742 -9.83382 -30.2593 -12.9537 4.62638 TIMING: 3714600 CPU: 10763, 0.00287255/step Wall: 10763, 0.00287255/step, 1.02566 hours remaining, 211.820312 MB of memory in use. ENERGY: 3714600 751.2718 2078.4135 1934.3928 107.2986 -206420.2960 18081.0032 0.0000 0.0000 34258.1787 -149209.7374 299.1852 -183467.9161 -149117.4786 299.3265 126.2897 159.4694 558165.2027 -3.4343 -3.3078 PRESSURE: 3714800 78.5434 -73.7321 -26.3572 -73.7323 -153.645 -102.102 -26.3577 -102.103 122.957 GPRESSURE: 3714800 43.6494 -104.755 -44.6198 -106.596 -134.817 -128.38 -33.6871 -141.167 227.106 PRESSAVG: 3714800 17.9091 -14.9514 -22.3816 -14.9515 -16.0477 38.1031 -22.3815 38.1031 -2.18047 GPRESSAVG: 3714800 17.0923 -15.4385 -22.4485 -15.1635 -15.6561 36.2438 -22.1125 39.1536 -1.49284 TIMING: 3714800 CPU: 10763.6, 0.00287834/step Wall: 10763.6, 0.00287834/step, 1.02757 hours remaining, 211.820312 MB of memory in use. ENERGY: 3714800 710.1673 2076.2766 1952.0501 105.1376 -206309.9949 17956.8515 0.0000 0.0000 34338.9842 -149170.5276 299.8909 -183509.5118 -149066.2622 299.7756 15.9520 45.3126 559357.6344 -0.1064 -0.0189 PRESSURE: 3715000 -139.882 -136.379 -58.1115 -136.38 -4.52158 95.952 -58.1117 95.953 -61.7189 GPRESSURE: 3715000 -122.806 -30.2331 10.9373 -153.248 31.6008 75.5415 -70.6914 183.752 -22.9957 PRESSAVG: 3715000 -9.82053 -8.73406 -24.3521 -8.73417 -35.0493 -39.7389 -24.3521 -39.739 11.6626 GPRESSAVG: 3715000 -7.96026 -8.84387 -25.3811 -4.94231 -36.2005 -40.3099 -21.9328 -38.1589 10.7762 TIMING: 3715000 CPU: 10764.2, 0.0028922/step Wall: 10764.2, 0.0028922/step, 1.03236 hours remaining, 211.820312 MB of memory in use. ENERGY: 3715000 780.6002 2115.0708 1931.7719 120.0731 -206078.5628 17747.5686 0.0000 0.0000 34229.1610 -149154.3172 298.9318 -183383.4781 -149061.3682 298.8878 -68.7076 -38.0670 559546.9391 -11.0691 -11.1282 PRESSURE: 3715200 -191.152 -41.7092 18.1362 -41.7091 323.406 3.64081 18.1352 3.64125 135.687 GPRESSURE: 3715200 -159.939 -43.6885 87.0042 -99.3082 364.493 3.35211 -47.2008 29.3404 158.247 PRESSAVG: 3715200 -48.0735 28.6647 -13.617 28.6647 51.9713 70.6604 -13.6168 70.6603 24.5286 GPRESSAVG: 3715200 -48.7594 31.0348 -13.0888 26.3178 52.1747 71.7729 -15.2337 69.4723 25.0028 TIMING: 3715200 CPU: 10764.7, 0.0028953/step Wall: 10764.7, 0.0028953/step, 1.0333 hours remaining, 211.820312 MB of memory in use. ENERGY: 3715200 712.8048 2082.2925 1935.2742 108.0781 -206121.0136 18010.1408 0.0000 0.0000 34107.7395 -149164.6838 297.8714 -183272.4233 -149073.7041 299.1770 89.3138 120.9336 560688.6113 9.4755 9.4727 PRESSURE: 3715400 255.592 2.63482 97.6242 2.63434 -0.0357408 40.2206 97.6238 40.2192 209.52 GPRESSURE: 3715400 267.929 -71.7866 172.527 6.52792 72.41 35.377 77.1565 68.4001 219.236 PRESSAVG: 3715400 0.621845 -13.2534 -0.152226 -13.2533 12.0751 -21.2651 -0.152234 -21.2651 -16.7833 GPRESSAVG: 3715400 -0.0406304 -15.0601 -0.219944 -13.755 12.5119 -20.9048 0.151859 -20.9443 -15.9024 TIMING: 3715400 CPU: 10765.3, 0.00289012/step Wall: 10765.3, 0.00289012/step, 1.03129 hours remaining, 211.820312 MB of memory in use. ENERGY: 3715400 731.3326 2066.8522 1930.8052 113.3066 -206357.3666 18124.5000 0.0000 0.0000 34252.3426 -149138.2272 299.1342 -183390.5699 -149044.1686 299.1832 155.0252 186.5250 559600.6059 -1.3621 -1.1437 PRESSURE: 3715600 -250.507 -74.2201 -21.8656 -74.2184 102.813 -144.266 -21.8652 -144.268 -20.6965 GPRESSURE: 3715600 -202.092 -70.1604 -32.8087 -64.0615 62.1975 -122.354 -4.89965 -206.766 53.2523 PRESSAVG: 3715600 -24.9504 22.7405 26.0056 22.7406 -23.968 26.8322 26.0056 26.8321 24.6479 GPRESSAVG: 3715600 -23.715 21.3947 26.2141 22.8305 -23.3462 23.5801 26.4675 29.8274 23.5206 TIMING: 3715600 CPU: 10765.9, 0.00291306/step Wall: 10765.9, 0.00291306/step, 1.03932 hours remaining, 211.820312 MB of memory in use. ENERGY: 3715600 761.5571 2071.3153 1939.5299 114.4310 -206040.9356 17829.1689 0.0000 0.0000 34111.8939 -149213.0395 297.9077 -183324.9334 -149115.3218 299.0088 -56.1304 -28.8807 560241.3221 -8.0902 -7.8469 PRESSURE: 3715800 -65.0386 -16.2953 -61.1173 -16.2955 50.4861 -4.21572 -61.1179 -4.21447 -40.2509 GPRESSURE: 3715800 -90.5369 -58.1696 -118.693 5.65146 141.302 -23.1117 19.9622 38.5126 -20.0469 PRESSAVG: 3715800 4.14064 8.05198 44.8837 8.05199 46.3969 -47.3936 44.8837 -47.3937 -18.4732 GPRESSAVG: 3715800 2.75861 6.55006 43.2374 9.67994 46.2269 -44.7014 45.542 -50.1561 -17.2314 TIMING: 3715800 CPU: 10766.5, 0.00289067/step Wall: 10766.5, 0.00289067/step, 1.03117 hours remaining, 211.820312 MB of memory in use. ENERGY: 3715800 721.2781 2094.3137 1967.5576 119.3412 -206244.5306 18009.4745 0.0000 0.0000 34251.3177 -149081.2477 299.1253 -183332.5654 -148976.5812 298.9933 -18.2678 10.2393 559281.2414 10.6881 10.5847 PRESSURE: 3716000 65.8468 89.5113 -39.0763 89.5106 323.369 -178.647 -39.0765 -178.647 -203.712 GPRESSURE: 3716000 36.2169 79.8024 0.63281 107.077 356.787 -249.369 -115.62 -187.538 -127.451 PRESSAVG: 3716000 -22.1916 -0.211809 -9.38029 -0.211838 50.2508 -14.8168 -9.38029 -14.8167 -93.5442 GPRESSAVG: 3716000 -22.0164 1.96371 -7.06511 -3.03405 49.6099 -13.9391 -9.85636 -14.7978 -92.9391 TIMING: 3716000 CPU: 10767.1, 0.00288239/step Wall: 10767.1, 0.00288239/step, 1.02805 hours remaining, 211.820312 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: 3716000 751.7506 2155.1839 1938.6675 120.3215 -206099.8626 17867.6268 0.0000 0.0000 34274.1703 -148992.1419 299.3249 -183266.3122 -148906.1485 299.7150 61.8345 88.5177 557184.8114 -21.8283 -21.7819 PRESSURE: 3716200 -160.067 101.481 -46.9194 101.48 -161.409 -106.61 -46.919 -106.611 -28.2955 GPRESSURE: 3716200 -127.236 146.729 -143.875 89.0965 -134.518 -24.2338 -131.434 -97.0293 13.6279 PRESSAVG: 3716200 1.26375 -5.14989 -47.722 -5.14993 31.5956 -26.167 -47.722 -26.1669 -6.2635 GPRESSAVG: 3716200 1.69931 -6.95794 -49.7317 -2.52061 31.4022 -24.8693 -44.696 -25.627 -6.55097 TIMING: 3716200 CPU: 10767.6, 0.0028789/step Wall: 10767.6, 0.0028789/step, 1.02665 hours remaining, 211.820312 MB of memory in use. ENERGY: 3716200 759.7158 2102.5577 1941.5056 108.1410 -205739.2031 17522.7373 0.0000 0.0000 34360.2042 -148944.3416 300.0762 -183304.5458 -148853.4923 299.8125 -116.5904 -82.7086 557908.4046 8.8653 8.8502 LDB: ============= START OF LOAD BALANCING ============== 10771 LDB: ============== END OF LOAD BALANCING =============== 10771 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10771 LDB: ============= START OF LOAD BALANCING ============== 10771.3 LDB: Largest compute 4792 load 0.026119 is 22.1% of average load 0.118086 LDB: Average compute 0.001721 is 1.5% of average load 0.118086 LDB: TIME 10771.3 LOAD: AVG 0.118086 MAX 0.178189 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 10771.3 LOAD: AVG 0.118086 MAX 0.178189 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: TIME 10771.3 LOAD: AVG 0.118086 MAX 0.178189 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10771.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10771.3 PRESSURE: 3716400 -126.429 -64.5023 167.063 -64.505 -470.034 -130.907 167.064 -130.908 -348.653 GPRESSURE: 3716400 -91.8903 -77.9107 170.474 -125.007 -439.388 -134.391 141.017 -160.483 -308.473 PRESSAVG: 3716400 31.4176 -24.601 22.7337 -24.6011 48.3972 -60.6956 22.7337 -60.6957 -15.8584 GPRESSAVG: 3716400 31.6026 -23.4798 24.0095 -24.545 48.4376 -63.4088 19.8917 -61.8499 -16.6634 TIMING: 3716400 CPU: 10768.2, 0.00294161/step Wall: 10768.2, 0.00294161/step, 1.04885 hours remaining, 210.351562 MB of memory in use. ENERGY: 3716400 754.4127 2119.3235 1965.9418 119.7557 -205610.1089 17422.8750 0.0000 0.0000 34292.5769 -148935.2232 299.4856 -183227.8002 -148836.1704 299.7210 -315.0386 -279.9171 560173.9361 21.3188 21.1256 PRESSURE: 3716600 -11.3462 -0.873437 -60.7607 -0.872783 -160.544 -115.918 -60.7587 -115.917 -136.87 GPRESSURE: 3716600 24.3879 28.9714 -44.4316 -12.0065 -78.4059 20.8438 -101.994 -194.445 -159.996 PRESSAVG: 3716600 -23.4612 -18.3205 -7.89929 -18.3205 49.0782 -43.1923 -7.89927 -43.1922 0.36987 GPRESSAVG: 3716600 -23.8868 -17.0143 -9.15725 -19.5086 49.6 -42.5937 -7.88118 -42.3353 0.279017 TIMING: 3716600 CPU: 10768.8, 0.00286774/step Wall: 10768.8, 0.00286774/step, 1.02235 hours remaining, 210.351562 MB of memory in use. ENERGY: 3716600 725.5081 2132.1562 1955.4802 111.2598 -205815.0707 17648.2665 0.0000 0.0000 34168.4697 -149073.9303 298.4017 -183242.4000 -148969.3893 300.0205 -102.9202 -71.3379 558941.7528 8.6623 8.6641 PRESSURE: 3716800 -161.489 -130.655 66.9842 -130.656 5.35049 -2.92398 66.9857 -2.92327 -242.399 GPRESSURE: 3716800 -125.828 -141.707 88.0692 -174.543 62.7666 -30.0234 67.1363 25.1594 -248.705 PRESSAVG: 3716800 -12.7479 7.947 18.3784 7.94708 -17.8982 -33.145 18.3785 -33.145 0.446955 GPRESSAVG: 3716800 -12.8235 5.88754 18.7033 9.23254 -17.5955 -32.0258 16.6407 -35.2602 0.573052 TIMING: 3716800 CPU: 10769.4, 0.00287508/step Wall: 10769.4, 0.00287508/step, 1.02481 hours remaining, 210.550781 MB of memory in use. ENERGY: 3716800 718.3973 2144.2541 1941.8361 109.4397 -205796.6569 17526.9595 0.0000 0.0000 34305.7399 -149050.0303 299.6006 -183355.7702 -148951.0593 299.7695 -132.8457 -103.9223 557789.9005 -10.0664 -9.9487 PRESSURE: 3717000 -38.8275 117.481 -68.1629 117.482 184.165 -63.1461 -68.164 -63.1445 -35.9757 GPRESSURE: 3717000 -11.686 153.212 -136.878 123.973 220.725 -90.2101 -22.0256 32.4018 -17.4017 PRESSAVG: 3717000 -51.073 -21.9121 15.1244 -21.912 77.3679 -11.3397 15.1245 -11.3397 -14.9453 GPRESSAVG: 3717000 -51.8684 -18.1469 15.8193 -23.2856 77.5338 -12.279 15.9787 -9.39422 -14.693 TIMING: 3717000 CPU: 10769.9, 0.0028553/step Wall: 10769.9, 0.0028553/step, 1.0176 hours remaining, 210.550781 MB of memory in use. ENERGY: 3717000 751.0163 2076.0096 1960.5425 121.5178 -206145.6255 17808.2781 0.0000 0.0000 34343.5260 -149084.7352 299.9306 -183428.2612 -148984.2285 300.0820 36.4539 63.8790 557297.0820 3.7832 3.6575 PRESSURE: 3717200 -21.8298 77.0111 164.878 77.0099 -344.318 -176.646 164.878 -176.646 88.8151 GPRESSURE: 3717200 -38.5999 151.85 108.406 26.3229 -318.307 -205.092 263.538 -72.7445 179.014 PRESSAVG: 3717200 -13.173 54.4735 6.51482 54.4734 -4.00685 -60.6593 6.51484 -60.6594 1.12231 GPRESSAVG: 3717200 -12.0147 52.8649 6.7574 55.6113 -4.99531 -57.693 6.30263 -62.3002 0.442421 TIMING: 3717200 CPU: 10770.5, 0.00287818/step Wall: 10770.5, 0.00287818/step, 1.02559 hours remaining, 210.550781 MB of memory in use. ENERGY: 3717200 729.8207 2119.2179 1965.4335 108.4406 -206100.3017 17571.8926 0.0000 0.0000 34505.7182 -149099.7782 301.3470 -183605.4964 -149003.2820 300.3127 -92.4444 -59.2974 558246.3388 -5.3525 -5.5225 PRESSURE: 3717400 -17.9406 -55.7313 268.821 -55.7303 65.6495 92.7693 268.82 92.7712 28.0149 GPRESSURE: 3717400 38.5228 76.3125 332.918 -29.9145 98.851 74.7466 172.62 50.5439 29.6921 PRESSAVG: 3717400 -33.8224 70.4957 52.1245 70.4956 50.0616 12.458 52.1244 12.458 -13.042 GPRESSAVG: 3717400 -33.5709 68.4661 52.5439 70.3715 49.3966 10.3519 51.9066 13.0412 -12.7974 TIMING: 3717400 CPU: 10771.1, 0.00288931/step Wall: 10771.1, 0.00288931/step, 1.0294 hours remaining, 210.550781 MB of memory in use. ENERGY: 3717400 745.3067 2059.6542 1963.7265 108.9375 -206154.8018 17841.1960 0.0000 0.0000 34200.2408 -149235.7401 298.6792 -183435.9810 -149137.3447 299.7034 25.2413 55.6887 556625.5591 1.0657 1.0094 PRESSURE: 3717600 -26.938 -84.764 42.7632 -84.7632 -11.6873 -131.334 42.763 -131.333 371.8 GPRESSURE: 3717600 71.3565 -60.3803 96.9761 -108.474 -29.6762 -155.485 2.08429 -178.2 383.332 PRESSAVG: 3717600 -55.7471 -17.4285 78.6929 -17.4285 -10.1179 10.2114 78.693 10.2114 51.5767 GPRESSAVG: 3717600 -56.0799 -15.8855 77.6769 -17.133 -9.96496 10.3924 78.3894 10.2043 51.5466 TIMING: 3717600 CPU: 10771.7, 0.00286878/step Wall: 10771.7, 0.00286878/step, 1.02192 hours remaining, 210.550781 MB of memory in use. ENERGY: 3717600 737.2601 2096.9706 1971.0369 114.1156 -206047.8502 17905.9528 0.0000 0.0000 34346.1791 -148876.3350 299.9537 -183222.5142 -148779.1587 299.3666 111.0581 141.6707 558002.0701 -4.7628 -4.8328 PRESSURE: 3717800 253.47 71.1593 -50.3116 71.1604 46.5293 -14.2172 -50.3122 -14.2181 246.786 GPRESSURE: 3717800 262.966 29.2872 -37.9986 77.4801 47.5941 -62.1817 21.2653 -17.1445 329.104 PRESSAVG: 3717800 46.7843 55.4096 -33.8737 55.4096 -11.6455 -8.81478 -33.8738 -8.81484 0.301143 GPRESSAVG: 3717800 45.7752 55.2837 -32.9258 55.2594 -11.3362 -9.15327 -34.848 -8.29607 0.938681 TIMING: 3717800 CPU: 10772.3, 0.00288183/step Wall: 10772.3, 0.00288183/step, 1.02641 hours remaining, 210.550781 MB of memory in use. ENERGY: 3717800 771.8412 2133.2042 1971.9590 108.0222 -206060.8383 18039.6470 0.0000 0.0000 34211.9558 -148824.2090 298.7815 -183036.1648 -148734.3614 300.0084 182.2616 213.2214 557434.1063 11.8133 11.7925 PRESSURE: 3718000 -22.8138 132.812 -8.45895 132.81 -46.7331 -59.0547 -8.45986 -59.0543 10.4016 GPRESSURE: 3718000 -34.0166 182.049 110.29 54.566 -15.1682 -12.6121 -30.6841 -68.7065 92.7838 PRESSAVG: 3718000 -12.7298 61.5067 -38.8475 61.5068 -23.1113 -12.4318 -38.8475 -12.4316 -5.56953 GPRESSAVG: 3718000 -12.0217 60.8946 -39.8808 62.0495 -22.7961 -10.5215 -37.7187 -14.1186 -6.48176 TIMING: 3718000 CPU: 10772.8, 0.00288197/step Wall: 10772.8, 0.00288197/step, 1.0263 hours remaining, 210.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3718000 778.8360 2090.5564 1957.2806 104.0497 -206233.0228 17979.1872 0.0000 0.0000 34199.7598 -149123.3531 298.6750 -183323.1129 -149022.5348 300.1486 -19.7151 14.5330 557958.4363 -13.8035 -13.7665 PRESSURE: 3718200 -299.422 -49.3307 41.1878 -49.3298 -40.1898 221.819 41.1863 221.818 -366.182 GPRESSURE: 3718200 -241.524 -48.9868 94.151 -43.3333 23.203 188.804 93.8637 347.267 -387.36 PRESSAVG: 3718200 32.9204 22.8548 -47.9002 22.8547 -20.4274 40.716 -47.9002 40.7161 -4.32233 GPRESSAVG: 3718200 33.6926 23.5037 -46.9764 21.9713 -20.8076 38.7792 -49.8619 41.143 -5.04791 TIMING: 3718200 CPU: 10773.4, 0.00287953/step Wall: 10773.4, 0.00287953/step, 1.02527 hours remaining, 210.550781 MB of memory in use. ENERGY: 3718200 760.3001 2042.3238 1964.9989 111.7498 -206103.0172 17599.3900 0.0000 0.0000 34373.6814 -149250.5733 300.1939 -183624.2547 -149145.2610 299.8971 -235.2646 -201.8937 558321.3341 2.7236 2.6124 PRESSURE: 3718400 -132.472 -38.5234 -131.494 -38.5242 -162.878 125.812 -131.494 125.813 160.906 GPRESSURE: 3718400 -64.7204 -28.9519 -96.9084 13.327 -187.328 146.238 -157.582 132.553 208.473 PRESSAVG: 3718400 5.26161 11.3774 -77.2527 11.3775 -19.0492 56.4039 -77.2527 56.404 36.4935 GPRESSAVG: 3718400 2.68323 10.6561 -77.5702 12.5869 -18.8471 59.0192 -75.7783 57.2213 38.3607 TIMING: 3718400 CPU: 10774, 0.00285855/step Wall: 10774, 0.00285855/step, 1.01764 hours remaining, 210.550781 MB of memory in use. ENERGY: 3718400 771.0564 2099.8134 1957.2861 110.3102 -206406.7996 17865.2885 0.0000 0.0000 34330.7642 -149272.2808 299.8191 -183603.0450 -149169.7128 298.7513 -44.8149 -14.5252 557557.6867 7.5686 7.3989 PRESSURE: 3718600 -91.343 -40.9511 -83.2033 -40.9512 59.1751 -106.082 -83.2033 -106.081 78.257 GPRESSURE: 3718600 -65.6281 -49.3067 -45.818 -40.1051 130.493 -57.7664 -146.233 -117.444 81.3913 PRESSAVG: 3718600 -61.6011 67.7639 -109.615 67.7639 5.1069 -15.1284 -109.616 -15.1285 46.2977 GPRESSAVG: 3718600 -59.8367 68.0561 -107.768 67.9446 4.49549 -18.2751 -111.654 -14.6287 45.3696 TIMING: 3718600 CPU: 10774.5, 0.0028644/step Wall: 10774.5, 0.0028644/step, 1.01957 hours remaining, 210.550781 MB of memory in use. ENERGY: 3718600 760.6410 2089.6026 1959.2420 104.8137 -206016.4818 17814.8362 0.0000 0.0000 34245.9039 -149041.4425 299.0780 -183287.3464 -148943.0760 298.9765 15.3630 48.7520 558254.7446 -3.3988 -3.3239 PRESSURE: 3718800 109.086 -116.989 35.1526 -116.988 104.099 25.8284 35.1526 25.8271 180.972 GPRESSURE: 3718800 143.235 -205.654 -11.0012 -49.8147 224.088 48.3336 153.918 17.8527 133.352 PRESSAVG: 3718800 -27.7965 -5.21332 -10.0898 -5.21325 26.7727 -17.9182 -10.0898 -17.9182 -9.00117 GPRESSAVG: 3718800 -27.7803 -5.27182 -13.2845 -6.30191 27.0351 -18.963 -6.62478 -17.3249 -8.93687 TIMING: 3718800 CPU: 10775.1, 0.0028643/step Wall: 10775.1, 0.0028643/step, 1.01937 hours remaining, 210.550781 MB of memory in use. ENERGY: 3718800 737.9509 2125.9828 1949.4116 110.1896 -206384.1052 18041.2407 0.0000 0.0000 34258.6090 -149160.7206 299.1890 -183419.3297 -149063.9876 299.8087 131.3858 166.8916 556452.4741 -3.3417 -3.2274 PRESSURE: 3719000 -277.103 -146.232 -35.8098 -146.233 -63.5821 176.298 -35.8094 176.299 -30.0772 GPRESSURE: 3719000 -210.644 -172.694 -33.4954 -132.392 -18.5729 167.929 55.7144 170.79 -43.4399 PRESSAVG: 3719000 -27.9604 -63.6466 -12.8991 -63.6466 11.2959 31.1107 -12.8991 31.1108 39.7933 GPRESSAVG: 3719000 -26.6997 -65.3202 -13.5187 -62.5471 11.0641 32.6573 -13.2343 30.33 38.8523 TIMING: 3719000 CPU: 10775.7, 0.00287312/step Wall: 10775.7, 0.00287312/step, 1.02235 hours remaining, 210.550781 MB of memory in use. ENERGY: 3719000 775.1298 2161.3512 1961.2695 105.8497 -206086.5593 17618.7036 0.0000 0.0000 34335.7679 -149128.4876 299.8628 -183464.2555 -149030.6426 298.9146 -123.5875 -90.8855 557788.0891 7.7096 7.7389 PRESSURE: 3719200 -234.8 15.5389 -108.714 15.5392 48.8944 45.6496 -108.714 45.6485 -271.259 GPRESSURE: 3719200 -169.901 45.3873 -123.196 -11.8026 37.7289 15.8624 -125.125 92.5027 -228.712 PRESSAVG: 3719200 -28.9451 -24.217 -27.1242 -24.217 61.4279 63.357 -27.1243 63.3569 -26.1281 GPRESSAVG: 3719200 -30.3102 -22.159 -25.2225 -25.9794 61.9067 61.8899 -28.0743 65.7682 -25.0067 TIMING: 3719200 CPU: 10776.3, 0.00289005/step Wall: 10776.3, 0.00289005/step, 1.02822 hours remaining, 210.550781 MB of memory in use. ENERGY: 3719200 752.8381 2064.0715 1925.7387 113.6870 -206455.0824 17880.6883 0.0000 0.0000 34379.4933 -149338.5656 300.2447 -183718.0589 -149240.0212 299.5794 -152.3881 -120.2944 556049.0457 2.1182 2.1966 PRESSURE: 3719400 -380.059 -22.4733 -90.9591 -22.4738 -289.846 -54.281 -90.9585 -54.2802 -88.7596 GPRESSURE: 3719400 -357.239 -111.172 -68.6546 -25.5754 -198.623 -67.4388 -123.271 -37.5295 -99.2048 PRESSAVG: 3719400 7.99931 3.82596 -35.2219 3.82596 -1.25088 -18.3728 -35.2218 -18.3727 13.0457 GPRESSAVG: 3719400 8.47907 3.31965 -35.259 3.9432 -2.47926 -18.4206 -34.5652 -19.8155 14.1212 TIMING: 3719400 CPU: 10776.9, 0.00287947/step Wall: 10776.9, 0.00287947/step, 1.02429 hours remaining, 210.550781 MB of memory in use. ENERGY: 3719400 732.1450 2132.0937 1936.8947 108.8713 -206209.1273 17670.3631 0.0000 0.0000 34005.6676 -149623.0919 296.9800 -183628.7596 -149530.1827 298.3013 -252.8883 -218.3557 557107.8936 6.5980 6.7070 PRESSURE: 3719600 316.164 -46.9377 -167.79 -46.9378 105.172 -50.8068 -167.79 -50.8068 -177.461 GPRESSURE: 3719600 350.026 4.77056 -75.3518 -119.07 135.724 -88.2783 -136.748 20.114 -122.854 PRESSAVG: 3719600 3.07189 -15.2185 -6.05966 -15.2185 -13.6709 -3.42093 -6.05971 -3.42097 21.9226 GPRESSAVG: 3719600 2.25788 -18.1944 -6.40482 -13.8846 -13.7839 -3.49497 -6.33177 -1.21575 22.6897 TIMING: 3719600 CPU: 10777.4, 0.00289246/step Wall: 10777.4, 0.00289246/step, 1.02875 hours remaining, 210.550781 MB of memory in use. ENERGY: 3719600 743.7992 2116.6509 1936.1257 105.2369 -206671.6541 18065.9295 0.0000 0.0000 34242.5108 -149461.4011 299.0484 -183703.9119 -149369.9314 298.2110 81.2915 120.9652 556449.4971 3.7746 3.7212 PRESSURE: 3719800 -41.8478 14.8771 160.036 14.8772 57.5468 -93.4834 160.038 -93.4846 -71.5692 GPRESSURE: 3719800 24.267 74.7263 159.781 0.844227 50.7034 -79.264 141.852 -111.831 -34.2664 PRESSAVG: 3719800 34.1693 55.6172 -65.8815 55.6172 -46.6147 -37.7118 -65.8815 -37.7117 12.4814 GPRESSAVG: 3719800 35.227 57.5486 -64.7038 55.6511 -46.2949 -36.2352 -66.1567 -41.103 11.4908 TIMING: 3719800 CPU: 10778, 0.00288913/step Wall: 10778, 0.00288913/step, 1.02741 hours remaining, 210.550781 MB of memory in use. ENERGY: 3719800 720.8931 2080.3730 1941.7106 112.2927 -206177.4468 17716.4940 0.0000 0.0000 34198.9612 -149406.7222 298.6680 -183605.6834 -149309.7742 298.6261 -18.6234 13.5680 556930.8823 0.0120 0.1410 PRESSURE: 3720000 -286.688 78.4523 -105.322 78.4511 169.93 -20.5093 -105.323 -20.5094 -124.056 GPRESSURE: 3720000 -273.72 -4.64585 -177.32 139.389 190.871 -130.284 -65.1549 -7.89367 -61.7894 PRESSAVG: 3720000 -16.4076 -4.4305 1.4994 -4.43042 -26.7918 -41.5953 1.49941 -41.5952 43.2343 GPRESSAVG: 3720000 -16.3107 -5.11286 -1.53571 -3.96282 -26.7795 -42.9841 2.85278 -37.9622 43.5051 TIMING: 3720000 CPU: 10778.6, 0.00289147/step Wall: 10778.6, 0.00289147/step, 1.02808 hours remaining, 210.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3720000 760.5735 2093.4114 1946.1617 113.5146 -206351.8119 17726.7156 0.0000 0.0000 34398.6133 -149312.8218 300.4116 -183711.4351 -149211.5426 298.6452 -80.2711 -48.2127 556963.9185 0.0116 0.1383 PRESSURE: 3720200 -131.477 71.7907 5.81986 71.7907 -292.159 -109.629 5.82051 -109.628 46.3969 GPRESSURE: 3720200 -88.8818 38.6821 30.8135 56.4452 -270.098 -79.288 -67.0811 -134.487 77.5313 PRESSAVG: 3720200 28.3055 -15.7585 -4.15274 -15.7584 -76.2294 -37.7854 -4.15278 -37.7855 79.1924 GPRESSAVG: 3720200 28.9587 -15.6797 -1.77567 -15.2896 -77.2104 -35.7794 -5.92174 -41.4717 78.9039 TIMING: 3720200 CPU: 10779.2, 0.00288454/step Wall: 10779.2, 0.00288454/step, 1.02545 hours remaining, 210.550781 MB of memory in use. ENERGY: 3720200 746.3632 2056.6312 1931.9464 120.0012 -205651.4408 17378.1459 0.0000 0.0000 34332.7711 -149085.5817 299.8366 -183418.3529 -148987.1935 299.9881 -125.7466 -93.8162 558006.3362 10.4228 10.2174 LDB: ============= START OF LOAD BALANCING ============== 10782.5 LDB: ============== END OF LOAD BALANCING =============== 10782.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10782.5 LDB: ============= START OF LOAD BALANCING ============== 10782.8 LDB: Largest compute 4792 load 0.026205 is 22.2% of average load 0.117992 LDB: Average compute 0.001723 is 1.5% of average load 0.117992 LDB: TIME 10782.8 LOAD: AVG 0.117992 MAX 0.181781 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.809 MB LDB: TIME 10782.8 LOAD: AVG 0.117992 MAX 0.181781 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.812 MB LDB: TIME 10782.8 LOAD: AVG 0.117992 MAX 0.181781 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.812 MB LDB: ============== END OF LOAD BALANCING =============== 10782.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10782.8 PRESSURE: 3720400 -214.55 -92.1987 174.603 -92.1986 36.4907 43.8685 174.603 43.8688 -60.7934 GPRESSURE: 3720400 -196.213 -134.425 149.47 -97.448 46.0645 77.7206 91.4898 18.976 6.77562 PRESSAVG: 3720400 48.6297 -4.19093 -63.405 -4.19089 -31.5525 -9.91871 -63.4049 -9.91884 8.25483 GPRESSAVG: 3720400 47.9232 -3.49216 -62.9976 -5.67516 -31.42 -8.9211 -65.183 -9.08279 9.73602 TIMING: 3720400 CPU: 10779.7, 0.00293615/step Wall: 10779.7, 0.00293615/step, 1.04364 hours remaining, 212.468750 MB of memory in use. ENERGY: 3720400 729.3714 2110.2279 1937.9389 116.6853 -205925.8242 17565.0881 0.0000 0.0000 34451.9040 -149014.6085 300.8770 -183466.5125 -148925.2534 299.2680 -79.6176 -47.7910 556037.9263 8.4440 8.7464 PRESSURE: 3720600 174.632 95.1921 49.2552 95.1927 -17.9409 33.8609 49.2555 33.8613 14.7573 GPRESSURE: 3720600 210.676 148.035 142.519 36.2131 20.7078 114.345 -0.516722 -25.773 35.7993 PRESSAVG: 3720600 10.4195 -43.3393 0.866319 -43.3393 8.33596 7.59999 0.866243 7.60001 -18.3614 GPRESSAVG: 3720600 9.81843 -42.5247 -0.181692 -42.7859 9.94136 4.90791 3.52662 6.13221 -19.5767 TIMING: 3720600 CPU: 10780.3, 0.0028843/step Wall: 10780.3, 0.0028843/step, 1.02505 hours remaining, 212.671875 MB of memory in use. ENERGY: 3720600 749.0201 2069.9763 1949.8872 127.1099 -205910.4629 17771.5612 0.0000 0.0000 34183.0562 -149059.8521 298.5291 -183242.9082 -148953.9768 299.3373 57.1496 89.0611 556882.9494 0.1314 0.0610 PRESSURE: 3720800 65.7151 66.5621 -128.167 66.5618 188.69 30.5048 -128.166 30.5063 48.8041 GPRESSURE: 3720800 67.0747 -25.9117 -84.4107 142.292 178.227 -9.77952 -112.487 -15.8171 145.517 PRESSAVG: 3720800 0.0818607 21.9587 -2.22554 21.9587 15.0493 18.4325 -2.22551 18.4325 29.9927 GPRESSAVG: 3720800 1.27536 21.9195 -3.7486 23.2683 13.5455 19.0734 -3.03294 19.1592 29.8539 TIMING: 3720800 CPU: 10780.9, 0.00289683/step Wall: 10780.9, 0.00289683/step, 1.02934 hours remaining, 212.671875 MB of memory in use. ENERGY: 3720800 760.8347 2050.6713 1938.3344 115.0314 -205920.4408 17728.9852 0.0000 0.0000 34215.3194 -149111.2645 298.8109 -183326.5839 -149013.3594 299.5174 101.0698 130.2731 556532.5820 15.0413 14.8916 PRESSURE: 3721000 115.043 339.528 -47.0971 339.529 20.1596 8.93889 -47.0971 8.93941 126.402 GPRESSURE: 3721000 154.343 315.364 -139.661 329.873 56.9736 144.777 -19.4411 -29.8461 148.232 PRESSAVG: 3721000 38.3104 60.5745 -47.9208 60.5744 44.7901 -27.1501 -47.9208 -27.1501 -69.9531 GPRESSAVG: 3721000 37.4877 58.0906 -46.6996 62.0003 44.5162 -28.1669 -46.6214 -27.2678 -69.4474 TIMING: 3721000 CPU: 10781.5, 0.00289099/step Wall: 10781.5, 0.00289099/step, 1.02711 hours remaining, 212.671875 MB of memory in use. ENERGY: 3721000 715.1804 2079.6528 1953.5529 97.2042 -205938.1279 17859.4600 0.0000 0.0000 34165.9272 -149067.1503 298.3795 -183233.0776 -148967.1822 299.8343 87.2014 119.8494 556350.2514 4.3824 4.1855 PRESSURE: 3721200 262.638 -24.7861 53.1453 -24.787 81.205 -161.231 53.146 -161.231 -27.8092 GPRESSURE: 3721200 280.034 -52.1363 -15.2924 11.1199 145.704 -138.902 -8.18066 -106.841 -21.9959 PRESSAVG: 3721200 -28.7046 19.2516 2.94999 19.2516 -9.54819 -28.8018 2.94998 -28.8018 -16.024 GPRESSAVG: 3721200 -29.3252 21.1816 3.31454 17.5771 -8.44578 -28.241 0.761249 -28.6251 -16.4404 TIMING: 3721200 CPU: 10782.1, 0.00286978/step Wall: 10782.1, 0.00286978/step, 1.01941 hours remaining, 212.671875 MB of memory in use. ENERGY: 3721200 768.8937 2037.4722 1977.8457 111.5635 -206313.7001 17920.2159 0.0000 0.0000 34492.4389 -149005.2703 301.2310 -183497.7092 -148904.4139 299.7632 105.3446 134.5809 555918.4248 -18.0923 -18.0705 PRESSURE: 3721400 102.814 -185.718 -54.3597 -185.719 -302.728 -18.8033 -54.3592 -18.8044 -48.1939 GPRESSURE: 3721400 166.347 -271.981 -11.3205 -122.916 -239.226 4.50298 -121.007 -99.9322 -69.0928 PRESSAVG: 3721400 20.5379 2.14064 -14.1209 2.14056 49.5548 32.1346 -14.1209 32.1346 -35.5993 GPRESSAVG: 3721400 22.0486 1.13986 -11.4586 2.62971 49.3638 31.703 -15.3694 31.9153 -36.8259 TIMING: 3721400 CPU: 10782.6, 0.00288228/step Wall: 10782.6, 0.00288228/step, 1.02369 hours remaining, 212.671875 MB of memory in use. ENERGY: 3721400 781.2639 2077.1274 1957.8376 103.5160 -205884.8643 17659.4337 0.0000 0.0000 34165.3595 -149140.3262 298.3746 -183305.6856 -149047.2749 300.0683 -82.7027 -47.3241 556504.8547 11.4978 11.5289 PRESSURE: 3721600 13.1837 -34.8948 66.9758 -34.8941 160.774 -134.697 66.9749 -134.695 -111.612 GPRESSURE: 3721600 -0.626543 -150.011 -22.1346 36.925 230.478 -111.426 64.4149 -151.152 -79.8517 PRESSAVG: 3721600 40.4708 -12.9979 -18.7547 -12.998 -9.4303 24.2456 -18.7546 24.2455 -28.0635 GPRESSAVG: 3721600 39.2098 -10.9304 -20.334 -14.574 -9.63843 26.3826 -16.9381 24.4855 -26.0729 TIMING: 3721600 CPU: 10783.2, 0.00288501/step Wall: 10783.2, 0.00288501/step, 1.0245 hours remaining, 212.671875 MB of memory in use. ENERGY: 3721600 770.1243 2070.4121 1938.2399 125.8501 -206194.6168 17873.8442 0.0000 0.0000 34261.9490 -149154.1972 299.2181 -183416.1462 -149057.4400 298.9334 20.7818 50.0000 557461.8508 0.9923 1.1661 PRESSURE: 3721800 -128.484 98.4854 1.39223 98.4841 157.46 -22.8559 1.3915 -22.8565 47.3944 GPRESSURE: 3721800 -81.2645 240.092 -46.7015 -43.3084 204.166 -65.084 32.9935 -8.16527 58.2139 PRESSAVG: 3721800 19.0305 98.9555 -8.15802 98.9555 -2.6124 -51.6144 -8.15797 -51.6144 0.33456 GPRESSAVG: 3721800 19.8652 99.2468 -8.94632 98.5847 -3.33112 -53.4378 -7.77052 -51.3484 -0.396249 TIMING: 3721800 CPU: 10783.8, 0.00288172/step Wall: 10783.8, 0.00288172/step, 1.02317 hours remaining, 212.671875 MB of memory in use. ENERGY: 3721800 762.3623 2082.8834 1957.9705 119.3081 -206314.3293 17839.8076 0.0000 0.0000 34512.2371 -149039.7604 301.4040 -183551.9974 -148942.1312 300.3265 25.4569 60.3717 554815.8329 5.5842 5.3793 PRESSURE: 3722000 -194.976 56.345 -14.073 56.3454 -207.778 -109.066 -14.0738 -109.067 -196.731 GPRESSURE: 3722000 -175.572 90.7611 -76.5912 99.0274 -181.214 -119.857 -59.3902 -17.9736 -163.084 PRESSAVG: 3722000 -21.7922 16.3752 -20.6868 16.3752 97.029 10.3371 -20.6868 10.3371 -70.9803 GPRESSAVG: 3722000 -23.0362 14.8951 -19.1767 16.9404 97.9099 11.2643 -21.7113 10.0291 -70.4581 TIMING: 3722000 CPU: 10784.4, 0.00287363/step Wall: 10784.4, 0.00287363/step, 1.02014 hours remaining, 212.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3722000 793.6241 2080.4387 1942.5625 126.4280 -206057.6917 17592.5914 0.0000 0.0000 34289.9640 -149232.0832 299.4628 -183522.0471 -149132.0278 300.2310 -199.8280 -173.2903 556891.3868 1.4188 1.4719 PRESSURE: 3722200 -495.665 -23.7406 -146.416 -23.7403 -257.634 -55.4801 -146.415 -55.482 -460.302 GPRESSURE: 3722200 -442.839 -10.516 -41.0012 -19.2712 -226.22 -121.249 -128.551 40.3016 -436.715 PRESSAVG: 3722200 -38.4011 -4.07354 -49.3356 -4.07355 -8.73242 33.2111 -49.3356 33.2111 61.4942 GPRESSAVG: 3722200 -38.7646 -4.36843 -51.8148 -5.60504 -8.91797 34.5176 -47.4637 33.2805 61.5374 TIMING: 3722200 CPU: 10784.9, 0.00286891/step Wall: 10784.9, 0.00286891/step, 1.0183 hours remaining, 212.671875 MB of memory in use. ENERGY: 3722200 786.7066 2068.0994 1953.3527 124.2102 -205213.9128 17016.0691 0.0000 0.0000 34147.8797 -149117.5952 298.2219 -183265.4748 -149017.1291 299.4252 -404.5336 -368.5914 558289.0624 4.7869 4.6183 PRESSURE: 3722400 202.179 83.8781 -37.3143 83.8797 155.055 29.2552 -37.3147 29.2542 -219.131 GPRESSURE: 3722400 286.827 32.5794 -69.5751 -26.998 160.799 1.08346 -20.5219 16.4857 -211.092 PRESSAVG: 3722400 -67.9421 -29.6299 -7.40456 -29.6299 37.3556 -23.8677 -7.40458 -23.8676 17.9062 GPRESSAVG: 3722400 -66.2738 -29.3994 -7.56081 -28.256 36.9474 -23.917 -6.31693 -24.535 16.7935 TIMING: 3722400 CPU: 10785.5, 0.00288559/step Wall: 10785.5, 0.00288559/step, 1.02406 hours remaining, 212.671875 MB of memory in use. ENERGY: 3722400 737.8777 2147.1544 1931.2588 117.1979 -206036.2956 17742.9037 0.0000 0.0000 34320.7099 -149039.1931 299.7313 -183359.9030 -148951.9346 299.1855 46.0344 78.8450 557469.8085 -4.2267 -4.1777 PRESSURE: 3722600 39.5724 68.2305 11.3306 68.2304 177.844 -64.0018 11.3305 -64.0019 247.501 GPRESSURE: 3722600 80.6528 47.924 -74.5406 37.8844 194.497 -75.8842 15.4187 -114.795 293.215 PRESSAVG: 3722600 -47.2262 -3.46508 4.08031 -3.46512 49.6993 0.465643 4.08033 0.465733 18.1434 GPRESSAVG: 3722600 -47.4506 -5.08816 4.95586 -2.8985 48.8264 -0.701325 0.904686 1.92665 19.4822 TIMING: 3722600 CPU: 10786.1, 0.00287834/step Wall: 10786.1, 0.00287834/step, 1.02133 hours remaining, 212.671875 MB of memory in use. ENERGY: 3722600 738.2903 2102.2068 1932.2210 111.9834 -206419.1794 17978.9437 0.0000 0.0000 34366.8547 -149188.6796 300.1343 -183555.5343 -149096.2548 299.7164 154.9723 189.4550 555009.6042 6.8722 6.9527 PRESSURE: 3722800 95.7128 -21.0886 35.8851 -21.0881 33.1032 -101.413 35.8848 -101.413 228.186 GPRESSURE: 3722800 122.446 -43.8782 81.7649 53.4146 62.1629 -93.4756 -14.8901 -72.9432 257.945 PRESSAVG: 3722800 31.5885 24.1345 9.75952 24.1346 8.5503 14.7189 9.75954 14.7188 15.3722 GPRESSAVG: 3722800 30.1948 24.3162 11.6008 24.6981 10.5103 14.2347 10.9976 14.4192 14.9386 TIMING: 3722800 CPU: 10786.7, 0.00286654/step Wall: 10786.7, 0.00286654/step, 1.01698 hours remaining, 212.671875 MB of memory in use. ENERGY: 3722800 713.0278 2121.4303 1930.5692 109.8246 -206412.1929 17952.8595 0.0000 0.0000 34281.4763 -149303.0052 299.3887 -183584.4815 -149202.1767 299.0064 119.0006 147.5181 557220.9050 18.5037 18.5479 PRESSURE: 3723000 185.453 165.451 -8.82874 165.451 40.1474 -76.4134 -8.82896 -76.4125 -142.123 GPRESSURE: 3723000 248.094 114.157 -60.3777 185.277 54.634 -60.7491 15.1636 -76.7469 -117.352 PRESSAVG: 3723000 26.8741 -27.7297 20.6187 -27.7296 -9.02371 -16.5557 20.6186 -16.5557 -4.93398 GPRESSAVG: 3723000 29.4764 -24.3542 18.8257 -30.2683 -10.6754 -15.0949 22.1717 -17.0199 -5.3852 TIMING: 3723000 CPU: 10787.2, 0.00287559/step Wall: 10787.2, 0.00287559/step, 1.02004 hours remaining, 212.671875 MB of memory in use. ENERGY: 3723000 761.4097 2113.7831 1947.5004 118.9849 -206665.5815 18088.9327 0.0000 0.0000 34158.5209 -149476.4499 298.3149 -183634.9707 -149379.0133 298.2645 27.8256 61.7919 556738.4547 4.3055 4.4719 PRESSURE: 3723200 121.344 93.057 37.3288 93.0562 -189.919 81.5111 37.3292 81.5124 -176.344 GPRESSURE: 3723200 66.6485 141.182 16.7163 62.6967 -128.215 55.5163 -32.4554 52.6822 -81.441 PRESSAVG: 3723200 42.3312 27.7436 26.5592 27.7436 1.45662 4.84963 26.5592 4.84966 -3.98833 GPRESSAVG: 3723200 41.0684 25.1991 27.2516 30.9791 2.36857 4.22114 24.802 4.15094 -3.64793 TIMING: 3723200 CPU: 10787.8, 0.00289773/step Wall: 10787.8, 0.00289773/step, 1.02773 hours remaining, 212.671875 MB of memory in use. ENERGY: 3723200 733.1430 2040.1431 1951.0620 102.1824 -206281.3682 17733.3823 0.0000 0.0000 34171.5330 -149549.9224 298.4285 -183721.4555 -149456.8855 298.2280 -81.6398 -47.6693 556075.9507 13.2665 13.2630 PRESSURE: 3723400 10.8241 151.258 132.153 151.257 -131.778 -87.2688 132.153 -87.2694 67.7916 GPRESSURE: 3723400 37.219 76.8892 150.879 175.708 -89.8758 -86.3813 115.497 -139.917 89.3561 PRESSAVG: 3723400 8.6016 -5.98091 17.7826 -5.981 -0.483404 37.5168 17.7826 37.5169 -14.8589 GPRESSAVG: 3723400 8.82404 -5.67306 15.6672 -6.91739 -0.895044 37.8005 17.9499 37.3881 -14.8701 TIMING: 3723400 CPU: 10788.4, 0.00291065/step Wall: 10788.4, 0.00291065/step, 1.03215 hours remaining, 212.671875 MB of memory in use. ENERGY: 3723400 721.1220 2140.3462 1952.1652 124.3390 -206387.6653 17766.6748 0.0000 0.0000 34175.6665 -149507.3514 298.4646 -183683.0180 -149416.5695 298.4347 -17.7208 12.2331 556616.2991 -2.2469 -2.3137 PRESSURE: 3723600 -2.77837 312.241 -85.0624 312.242 94.1348 15.9708 -85.0633 15.9701 31.1814 GPRESSURE: 3723600 22.133 365.522 -145.941 338.28 128.222 12.8862 -27.45 -35.3027 69.8797 PRESSAVG: 3723600 -49.0884 17.0074 50.531 17.0073 79.2518 -21.2403 50.531 -21.2402 -24.1643 GPRESSAVG: 3723600 -50.5121 16.0895 50.3125 17.0872 81.519 -21.0619 52.0384 -20.7641 -24.5858 TIMING: 3723600 CPU: 10789, 0.00288882/step Wall: 10789, 0.00288882/step, 1.02425 hours remaining, 212.671875 MB of memory in use. ENERGY: 3723600 711.3085 2053.4757 1932.0606 117.9260 -206142.8991 17818.7750 0.0000 0.0000 34298.6913 -149210.6620 299.5390 -183509.3533 -149117.3812 299.5447 40.8460 73.4117 556482.7022 1.9997 2.1404 PRESSURE: 3723800 -134.565 76.4894 13.5564 76.4887 435.477 33.023 13.5558 33.023 -56.8042 GPRESSURE: 3723800 -83.8279 81.5814 20.0173 20.957 435.044 64.6585 9.90384 47.8778 -10.4339 PRESSAVG: 3723800 -14.4943 4.32758 30.5695 4.32759 -5.97444 20.0852 30.5696 20.0852 -0.602912 GPRESSAVG: 3723800 -14.1131 4.61329 32.0218 3.03346 -7.65372 20.5893 26.6668 18.159 0.919085 TIMING: 3723800 CPU: 10789.6, 0.00287809/step Wall: 10789.6, 0.00287809/step, 1.02028 hours remaining, 212.671875 MB of memory in use. ENERGY: 3723800 756.1793 2039.1640 1924.3878 113.4451 -206353.1529 17921.5015 0.0000 0.0000 34133.0975 -149465.3776 298.0928 -183598.4751 -149361.5328 298.9663 81.3694 113.5941 556537.9524 -7.0239 -6.9492 PRESSURE: 3724000 4.87671 -92.6221 -160.41 -92.6211 -126.155 99.9233 -160.411 99.9239 -127.434 GPRESSURE: 3724000 4.63875 -62.2009 -170.209 -130.699 -89.7723 159.922 -63.3948 91.2142 -91.2524 PRESSAVG: 3724000 41.2097 -35.3087 -2.6359 -35.3087 37.5519 9.81884 -2.63591 9.81878 -20.4634 GPRESSAVG: 3724000 41.1856 -34.9906 -2.68949 -34.7008 38.1007 9.74092 1.04209 10.9004 -21.2052 TIMING: 3724000 CPU: 10790.1, 0.00290072/step Wall: 10790.1, 0.00290072/step, 1.02814 hours remaining, 212.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3724000 737.7421 2079.8089 1924.2238 107.3431 -205816.4857 17629.1250 0.0000 0.0000 34011.1296 -149327.1132 297.0277 -183338.2428 -149234.2197 299.0375 -82.9040 -58.7953 558632.2906 19.4327 19.3604 PRESSURE: 3724200 -99.3967 -107.164 -3.31708 -107.163 -218.585 -123.442 -3.31744 -123.442 -115.125 GPRESSURE: 3724200 -48.0804 -43.5159 -28.7628 -153.705 -179.979 -78.3855 56.7795 -140.865 -109.825 PRESSAVG: 3724200 -51.2697 -17.5957 -8.03777 -17.5956 31.2718 -56.9415 -8.03782 -56.9415 -18.506 GPRESSAVG: 3724200 -49.9903 -16.2475 -8.91152 -16.0971 30.7513 -57.1801 -7.33776 -56.4744 -18.8595 TIMING: 3724200 CPU: 10790.7, 0.00290296/step Wall: 10790.7, 0.00290296/step, 1.02878 hours remaining, 212.671875 MB of memory in use. ENERGY: 3724200 770.5087 2109.6514 1932.6209 116.0500 -206245.2594 17715.7443 0.0000 0.0000 34174.0961 -149426.5881 298.4509 -183600.6842 -149325.6247 298.8982 -144.3689 -112.6281 557461.7599 -12.8347 -12.6995 LDB: ============= START OF LOAD BALANCING ============== 10794.1 LDB: ============== END OF LOAD BALANCING =============== 10794.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10794.1 LDB: ============= START OF LOAD BALANCING ============== 10794.4 LDB: Largest compute 4792 load 0.026810 is 22.7% of average load 0.118011 LDB: Average compute 0.001718 is 1.5% of average load 0.118011 LDB: TIME 10794.4 LOAD: AVG 0.118011 MAX 0.179071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.012 MB LDB: TIME 10794.4 LOAD: AVG 0.118011 MAX 0.179071 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.012 MB LDB: TIME 10794.4 LOAD: AVG 0.118011 MAX 0.179071 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10794.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10794.4 PRESSURE: 3724400 129.8 -117.47 -82.8362 -117.471 215.095 25.9032 -82.8368 25.9017 258.588 GPRESSURE: 3724400 170.909 -132.744 -82.7236 -71.2008 242.674 66.2052 -80.0641 19.3337 291.911 PRESSAVG: 3724400 -42.328 -48.5716 -63.1087 -48.5717 17.2088 -12.4235 -63.1086 -12.4235 99.4277 GPRESSAVG: 3724400 -42.8323 -52.1316 -62.2723 -49.7364 18.4981 -12.8477 -63.106 -11.3955 99.0833 TIMING: 3724400 CPU: 10791.3, 0.00293769/step Wall: 10791.3, 0.00293769/step, 1.04092 hours remaining, 211.433594 MB of memory in use. ENERGY: 3724400 767.4867 2136.9744 1931.2596 115.9609 -206711.3364 18179.3299 0.0000 0.0000 34297.6600 -149282.6648 299.5300 -183580.3248 -149184.2175 298.9914 201.1610 235.1644 557911.6366 24.7695 24.9164 PRESSURE: 3724600 -86.0693 -21.1464 -127.587 -21.1457 -227.841 -68.7457 -127.588 -68.7464 52.3156 GPRESSURE: 3724600 -39.2552 -71.5281 -73.1909 -43.0137 -226.413 -141.356 -230.227 -21.4864 107.874 PRESSAVG: 3724600 -24.0034 4.14927 -29.5298 4.14935 -20.2135 25.4176 -29.5298 25.4176 27.6669 GPRESSAVG: 3724600 -25.2028 6.65663 -30.1123 2.6012 -20.035 26.1518 -31.5584 24.7171 28.7371 TIMING: 3724600 CPU: 10791.9, 0.00290169/step Wall: 10791.9, 0.00290169/step, 1.028 hours remaining, 211.636719 MB of memory in use. ENERGY: 3724600 725.5433 2130.2600 1940.0799 126.2201 -206239.0729 17751.4583 0.0000 0.0000 34212.3826 -149353.1285 298.7852 -183565.5111 -149254.0452 299.4043 -87.1981 -52.5980 558597.5347 -5.5166 -5.5002 PRESSURE: 3724800 -113.283 68.0939 -62.7697 68.0931 -115.566 75.8454 -62.7701 75.8443 165.812 GPRESSURE: 3724800 -66.622 55.7614 39.5543 20.2742 -46.1186 60.8416 -77.1283 97.1471 151.682 PRESSAVG: 3724800 -51.6181 -28.4958 -45.5912 -28.4957 30.4012 -52.6147 -45.5912 -52.6146 52.4578 GPRESSAVG: 3724800 -50.4005 -28.309 -44.4196 -26.5705 29.5312 -53.8229 -47.2297 -50.3129 51.905 TIMING: 3724800 CPU: 10792.5, 0.00287801/step Wall: 10792.5, 0.00287801/step, 1.01945 hours remaining, 211.636719 MB of memory in use. ENERGY: 3724800 730.8395 2084.9986 1943.5940 100.8298 -206319.2093 17693.0274 0.0000 0.0000 34283.7427 -149482.1773 299.4085 -183765.9201 -149384.6871 298.8877 -21.0120 12.9804 556920.4610 10.4136 10.3452 PRESSURE: 3725000 -210.989 67.256 -65.9593 67.2577 -33.3411 -5.703 -65.959 -5.70287 -96.0264 GPRESSURE: 3725000 -163.335 134.877 -116.111 -5.43089 -8.74803 109.884 -80.0939 -107.219 -65.3955 PRESSAVG: 3725000 -28.1562 -12.8886 -22.0966 -12.8887 -21.3284 25.3627 -22.0966 25.3626 51.5395 GPRESSAVG: 3725000 -28.5362 -12.9873 -24.0461 -13.1111 -21.0656 27.7343 -19.9527 21.0802 51.0963 TIMING: 3725000 CPU: 10793, 0.00288084/step Wall: 10793, 0.00288084/step, 1.0203 hours remaining, 211.636719 MB of memory in use. ENERGY: 3725000 719.7297 2122.3557 1947.2822 128.5740 -205894.8084 17396.0849 0.0000 0.0000 34077.8140 -149502.9678 297.6100 -183580.7818 -149407.3720 298.7042 -113.4521 -79.1594 556930.8652 0.6850 0.4981 PRESSURE: 3725200 76.1287 69.5642 -64.3906 69.5637 144.959 164.732 -64.3915 164.733 -98.5961 GPRESSURE: 3725200 85.8892 112.585 -25.1211 116.483 198.86 212.651 -83.1952 171.696 -60.0759 PRESSAVG: 3725200 -13.6992 26.2178 -89.3653 26.2178 10.0377 36.0891 -89.3654 36.0892 -25.084 GPRESSAVG: 3725200 -14.2407 27.0601 -87.9301 27.3725 11.0951 34.2757 -90.2693 38.6996 -25.9668 TIMING: 3725200 CPU: 10793.6, 0.00289339/step Wall: 10793.6, 0.00289339/step, 1.02458 hours remaining, 211.636719 MB of memory in use. ENERGY: 3725200 721.8256 2099.7543 1939.8743 119.4856 -206205.2408 17720.7459 0.0000 0.0000 34196.8801 -149406.6750 298.6499 -183603.5551 -149320.0002 298.6752 40.8304 74.8913 555575.9482 -9.5818 -9.7041 PRESSURE: 3725400 -119.608 -24.1212 -32.8603 -24.1215 9.35916 213.606 -32.8607 213.606 -312.876 GPRESSURE: 3725400 -81.061 42.3914 -48.4423 42.6564 25.0961 75.9264 13.0476 248.083 -272.378 PRESSAVG: 3725400 -32.3358 40.9239 -43.7812 40.924 54.0044 -15.6985 -43.7811 -15.6985 -39.7805 GPRESSAVG: 3725400 -33.1448 40.2343 -46.5978 40.6686 52.0902 -15.8417 -43.1934 -16.9767 -37.8354 TIMING: 3725400 CPU: 10794.2, 0.00288052/step Wall: 10794.2, 0.00288052/step, 1.01986 hours remaining, 211.636719 MB of memory in use. ENERGY: 3725400 740.7330 2090.9175 1942.2953 117.2965 -206175.6692 17639.5017 0.0000 0.0000 34158.4686 -149486.4567 298.3144 -183644.9253 -149387.6771 298.6083 -141.0415 -109.4476 556494.5110 -6.0373 -6.2967 PRESSURE: 3725600 26.1867 -46.8221 -17.4685 -46.8227 -63.2175 97.1804 -17.4678 97.1816 -10.8584 GPRESSURE: 3725600 46.7833 -37.3128 -27.7259 -95.3181 -51.2053 -0.235373 50.9863 35.1304 53.6162 PRESSAVG: 3725600 -45.0658 -56.3038 -35.0219 -56.3037 26.487 0.818858 -35.0218 0.818869 4.2599 GPRESSAVG: 3725600 -44.0221 -54.9833 -32.285 -56.9108 27.0724 0.14822 -36.1886 1.13535 2.51884 TIMING: 3725600 CPU: 10794.8, 0.00287256/step Wall: 10794.8, 0.00287256/step, 1.01689 hours remaining, 211.636719 MB of memory in use. ENERGY: 3725600 723.9432 2092.0874 1942.5673 131.9996 -206397.3119 17804.4633 0.0000 0.0000 34162.8454 -149539.4057 298.3526 -183702.2511 -149441.9237 299.5945 -15.9631 16.3981 555896.1023 -4.7730 -4.8103 PRESSURE: 3725800 147.888 -52.901 -226.782 -52.9014 30.7319 48.8324 -226.781 48.8356 -144.836 GPRESSURE: 3725800 179.86 -54.9045 -243.886 -62.69 54.7642 75.4806 -326.224 -11.4844 -99.4554 PRESSAVG: 3725800 -27.2436 13.3763 -52.6958 13.3763 -6.45323 -8.43963 -52.6959 -8.43966 29.9479 GPRESSAVG: 3725800 -27.6893 12.2587 -52.5533 13.9554 -6.77304 -6.42091 -52.4103 -9.59318 30.4852 TIMING: 3725800 CPU: 10795.3, 0.00289907/step Wall: 10795.3, 0.00289907/step, 1.02611 hours remaining, 211.636719 MB of memory in use. ENERGY: 3725800 754.1748 2180.6249 1927.5189 121.6789 -206601.9358 17836.4687 0.0000 0.0000 34140.7931 -149640.6764 298.1600 -183781.4695 -149538.1644 298.8513 11.2611 45.0564 555963.6698 -1.2496 -1.3257 PRESSURE: 3726000 -53.4105 113.937 -144.946 113.937 287.176 111.678 -144.944 111.679 -10.7478 GPRESSURE: 3726000 -1.6273 70.6726 -128.957 147.543 326.808 87.2604 -103.078 39.2787 -10.3235 PRESSAVG: 3726000 -78.5427 24.4431 -27.0216 24.4431 63.6034 8.90013 -27.0216 8.90006 3.66329 GPRESSAVG: 3726000 -78.6361 26.2021 -28.3683 23.0115 64.5346 8.48212 -25.7329 7.65488 2.5952 TIMING: 3726000 CPU: 10795.9, 0.00286789/step Wall: 10795.9, 0.00286789/step, 1.01492 hours remaining, 211.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3726000 731.1739 2097.9297 1940.5831 114.7170 -206545.6621 18033.2063 0.0000 0.0000 34058.9987 -149569.0535 297.4457 -183628.0522 -149476.1159 298.2278 74.3392 104.9526 556933.0645 -3.7587 -3.8354 PRESSURE: 3726200 -188.234 39.3597 -105.126 39.3599 363.179 46.5389 -105.127 46.5386 181.648 GPRESSURE: 3726200 -165.345 -5.04056 -53.7792 6.46317 381.763 7.31877 -120.012 99.9069 253.325 PRESSAVG: 3726200 40.3174 4.0069 6.67285 4.00693 -4.22462 24.1473 6.6729 24.1473 -34.6709 GPRESSAVG: 3726200 40.7637 0.67372 6.42605 5.71709 -5.43833 23.3434 5.80786 25.3686 -33.3062 TIMING: 3726200 CPU: 10796.5, 0.00285439/step Wall: 10796.5, 0.00285439/step, 1.00998 hours remaining, 211.636719 MB of memory in use. ENERGY: 3726200 745.8191 2093.9991 1898.4213 101.0514 -206678.2345 18189.1005 0.0000 0.0000 34185.5123 -149464.3308 298.5506 -183649.8431 -149372.5562 298.5301 118.8643 156.5810 557168.7811 0.4740 0.6730 PRESSURE: 3726400 380.43 50.3824 68.2098 50.3828 -29.9786 -58.0685 68.2096 -58.068 300.258 GPRESSURE: 3726400 418.595 52.0878 115.97 54.9271 17.0432 -129.038 53.9004 -69.1056 321.245 PRESSAVG: 3726400 9.03525 17.6455 -30.2158 17.6455 3.23259 -37.1121 -30.2158 -37.1122 -17.8029 GPRESSAVG: 3726400 8.90213 19.7266 -31.431 14.9535 3.40115 -37.362 -29.8455 -37.1028 -18.0914 TIMING: 3726400 CPU: 10797.1, 0.00287887/step Wall: 10797.1, 0.00287887/step, 1.01848 hours remaining, 211.636719 MB of memory in use. ENERGY: 3726400 767.2794 2086.3421 1958.0143 112.3128 -206736.2329 18209.2223 0.0000 0.0000 34200.4544 -149402.6076 298.6811 -183603.0620 -149308.6302 298.8215 216.9033 252.2945 556496.5173 -1.8450 -1.9294 PRESSURE: 3726600 68.411 -88.7956 15.0754 -88.7959 -260.166 -63.3939 15.0767 -63.3938 35.508 GPRESSURE: 3726600 30.0012 -90.1695 -3.14757 -83.1277 -142.045 -151.2 -12.6005 -84.4787 52.4371 PRESSAVG: 3726600 7.34149 32.8852 21.6603 32.8852 4.96719 16.881 21.6603 16.881 -27.8709 GPRESSAVG: 3726600 7.61179 32.6731 22.4875 35.7591 5.7662 18.441 20.7786 16.1173 -28.6997 TIMING: 3726600 CPU: 10797.6, 0.00286816/step Wall: 10797.6, 0.00286816/step, 1.01453 hours remaining, 211.636719 MB of memory in use. ENERGY: 3726600 775.9637 2141.7701 1936.9655 109.0441 -206263.4145 17764.4911 0.0000 0.0000 34364.0563 -149171.1237 300.1099 -183535.1800 -149077.7929 298.7999 -52.0824 -19.8689 558361.0840 -5.1874 -5.1072 PRESSURE: 3726800 77.6478 -117.292 -70.4689 -117.292 108.876 -109.48 -70.4687 -109.481 43.0185 GPRESSURE: 3726800 124.651 -71.4648 25.4185 -128.788 220.835 -82.7416 -1.66399 -157.55 -17.1694 PRESSAVG: 3726800 -43.6026 14.5559 33.3004 14.5558 39.6612 -41.2801 33.3004 -41.2801 60.3112 GPRESSAVG: 3726800 -43.8039 13.5011 33.286 12.3299 39.8629 -43.0361 33.0718 -40.5678 60.5734 TIMING: 3726800 CPU: 10798.2, 0.002862/step Wall: 10798.2, 0.002862/step, 1.0122 hours remaining, 211.636719 MB of memory in use. ENERGY: 3726800 753.6363 2092.4476 1943.3266 115.4520 -206301.9707 17945.8445 0.0000 0.0000 34321.7612 -149129.5025 299.7405 -183451.2637 -149031.6296 299.5732 76.5142 109.4387 558377.1433 18.7899 18.8774 PRESSURE: 3727000 -255.856 183.376 113.458 183.376 -28.8005 7.05457 113.457 7.05526 -341.614 GPRESSURE: 3727000 -219.204 147.015 17.4827 153.878 -2.33686 15.0353 228.396 -18.5883 -314.351 PRESSAVG: 3727000 -33.674 -1.23196 3.23338 -1.23204 9.06613 -9.7517 3.23336 -9.75174 45.4284 GPRESSAVG: 3727000 -33.7357 -0.430939 4.44576 -0.881149 9.32258 -8.61098 3.32124 -11.6247 45.314 TIMING: 3727000 CPU: 10798.8, 0.0028603/step Wall: 10798.8, 0.0028603/step, 1.01143 hours remaining, 211.636719 MB of memory in use. ENERGY: 3727000 718.5447 2119.4396 1925.6168 114.7416 -205821.7932 17447.5925 0.0000 0.0000 34178.5622 -149317.2958 298.4899 -183495.8581 -149222.2005 299.1533 -208.7571 -178.6308 560184.0980 6.9402 6.9670 PRESSURE: 3727200 -183.089 -234.93 -162.017 -234.931 -69.2622 -32.5075 -162.018 -32.5082 267.565 GPRESSURE: 3727200 -120.038 -194.01 -120.863 -199.548 -24.0168 -6.55935 -208.535 -92.1404 263.196 PRESSAVG: 3727200 -28.6873 12.0829 14.1469 12.0828 -37.2644 -7.53217 14.1469 -7.53228 50.8313 GPRESSAVG: 3727200 -28.2883 12.1393 11.7884 13.6205 -37.5246 -7.60419 15.0632 -8.2358 50.9616 TIMING: 3727200 CPU: 10799.4, 0.0028805/step Wall: 10799.4, 0.0028805/step, 1.01842 hours remaining, 211.636719 MB of memory in use. ENERGY: 3727200 727.9866 2123.3181 1924.0118 114.7428 -206534.6438 17920.8706 0.0000 0.0000 34051.5299 -149672.1840 297.3805 -183723.7139 -149580.9013 297.8303 5.0713 39.7136 557979.9151 -5.0402 -4.9504 PRESSURE: 3727400 -165.442 -111.36 141.582 -111.358 -64.7064 -69.3787 141.582 -69.377 -32.27 GPRESSURE: 3727400 -165.206 -91.0416 123.802 -192.567 -37.3367 -59.9687 97.0959 -95.6162 37.1351 PRESSAVG: 3727400 -39.3212 -38.3043 49.4429 -38.3043 -74.3254 -23.001 49.4429 -23.001 129.143 GPRESSAVG: 3727400 -39.2109 -38.2728 51.9677 -38.4014 -74.3799 -24.3603 47.6434 -21.4234 129.609 TIMING: 3727400 CPU: 10799.9, 0.00286434/step Wall: 10799.9, 0.00286434/step, 1.01254 hours remaining, 211.636719 MB of memory in use. ENERGY: 3727400 726.7438 2108.6566 1945.0567 120.2606 -206609.3761 17885.1418 0.0000 0.0000 34177.9504 -149645.5662 298.4845 -183823.5166 -149553.8455 297.7653 -87.4727 -55.1359 557563.4246 5.1654 5.3395 PRESSURE: 3727600 -162.519 -264.472 -46.0712 -264.474 16.6703 296.079 -46.071 296.079 -208.16 GPRESSURE: 3727600 -109.108 -190.936 -98.7498 -330.504 26.6892 231.529 -84.6786 370.926 -176.859 PRESSAVG: 3727600 -63.0697 -62.5835 4.06612 -62.5835 78.5633 74.0998 4.06609 74.0997 -18.9364 GPRESSAVG: 3727600 -63.1613 -62.659 2.45089 -64.2471 79.027 74.9281 4.39664 73.6923 -19.1182 TIMING: 3727600 CPU: 10800.5, 0.00287098/step Wall: 10800.5, 0.00287098/step, 1.01473 hours remaining, 211.636719 MB of memory in use. ENERGY: 3727600 732.2262 2049.0489 1946.7912 117.0365 -206381.4922 17691.1859 0.0000 0.0000 34379.3353 -149465.8682 300.2433 -183845.2035 -149366.5432 297.9985 -118.0030 -86.4259 557339.4835 -1.1476 -1.0842 PRESSURE: 3727800 229.368 1.90935 124.87 1.90959 -150.394 -93.2533 124.871 -93.2535 133.056 GPRESSURE: 3727800 231.071 -73.1383 136.673 4.67844 -44.6888 -22.3852 105.279 -156.861 122.412 PRESSAVG: 3727800 -34.8175 -8.88116 26.6101 -8.88115 -20.1307 51.5057 26.6101 51.5055 57.2635 GPRESSAVG: 3727800 -35.8765 -8.44184 26.6916 -8.60571 -20.0971 51.1867 27.8669 52.036 58.3482 TIMING: 3727800 CPU: 10801.1, 0.0028689/step Wall: 10801.1, 0.0028689/step, 1.01384 hours remaining, 211.636719 MB of memory in use. ENERGY: 3727800 758.3603 2085.6950 1971.4942 117.6251 -206445.9735 17794.2184 0.0000 0.0000 34334.9024 -149383.6779 299.8552 -183718.5803 -149285.1664 298.9974 70.6765 102.9312 554970.9437 0.7717 0.7915 PRESSURE: 3728000 -104.543 -75.9208 -34.7252 -75.9222 -372.398 49.142 -34.7254 49.1432 -87.6849 GPRESSURE: 3728000 -34.2971 -32.5861 7.83775 -212.792 -347.612 25.2908 -61.4514 80.9085 -79.3274 PRESSAVG: 3728000 31.6267 -22.3501 6.00917 -22.35 -15.8875 2.11891 6.00911 2.11888 -21.4299 GPRESSAVG: 3728000 33.0394 -22.0122 7.12049 -23.297 -16.8562 3.6262 4.95679 3.77706 -22.2453 TIMING: 3728000 CPU: 10801.6, 0.00286213/step Wall: 10801.6, 0.00286213/step, 1.01129 hours remaining, 211.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3728000 786.5892 2044.7328 1947.5117 127.2291 -206378.5591 17567.4909 0.0000 0.0000 34498.9091 -149406.0964 301.2876 -183905.0055 -149301.9800 299.5998 -188.2088 -153.7455 556997.0004 -1.8969 -2.0207 PRESSURE: 3728200 31.9479 -166.193 97.1432 -166.192 -197.91 147.405 97.1426 147.406 86.7739 GPRESSURE: 3728200 81.9485 -157.825 6.66664 -105.425 -196.92 125.658 113.215 173.555 137.429 PRESSAVG: 3728200 69.1425 -29.5984 -20.9481 -29.5984 -64.7024 40.8316 -20.9481 40.8316 31.7071 GPRESSAVG: 3728200 69.1713 -30.5464 -22.1036 -26.3637 -64.598 40.2219 -19.0505 39.4759 31.675 TIMING: 3728200 CPU: 10802.2, 0.00286145/step Wall: 10802.2, 0.00286145/step, 1.01089 hours remaining, 211.636719 MB of memory in use. ENERGY: 3728200 773.5186 2068.9352 1926.9205 115.7871 -206415.5532 17974.5588 0.0000 0.0000 34093.3896 -149462.4434 297.7461 -183555.8330 -149363.4790 299.3651 -26.3962 7.4859 557827.8833 12.0490 12.0828 LDB: ============= START OF LOAD BALANCING ============== 10805.6 LDB: ============== END OF LOAD BALANCING =============== 10805.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10805.6 LDB: ============= START OF LOAD BALANCING ============== 10805.9 LDB: Largest compute 4792 load 0.027509 is 23.3% of average load 0.118000 LDB: Average compute 0.001712 is 1.5% of average load 0.118000 LDB: TIME 10805.9 LOAD: AVG 0.118 MAX 0.178642 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 10805.9 LOAD: AVG 0.118 MAX 0.178642 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: TIME 10805.9 LOAD: AVG 0.118 MAX 0.178642 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.324 MB LDB: ============== END OF LOAD BALANCING =============== 10805.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10805.9 PRESSURE: 3728400 -348.794 13.2955 108.795 13.2955 221.341 95.9973 108.795 95.9954 65.3042 GPRESSURE: 3728400 -247.211 22.1447 53.2738 66.7507 154.364 162.529 162.836 152.149 122.148 PRESSAVG: 3728400 -42.9492 -17.5702 22.3046 -17.5703 -8.84258 11.7827 22.3046 11.7827 61.3214 GPRESSAVG: 3728400 -43.1494 -15.7076 20.1054 -19.5197 -8.38751 9.77831 21.8408 12.9824 61.9218 TIMING: 3728400 CPU: 10802.8, 0.0029442/step Wall: 10802.8, 0.0029442/step, 1.03996 hours remaining, 210.351562 MB of memory in use. ENERGY: 3728400 757.7114 2150.9647 1938.4017 114.6794 -206472.7773 17841.5140 0.0000 0.0000 34160.4664 -149509.0397 298.3318 -183669.5061 -149410.6967 298.4650 -20.7164 9.7669 557287.2543 3.1765 3.4616 PRESSURE: 3728600 -272.025 85.5338 99.3635 85.5332 168.46 -104.369 99.3636 -104.37 197.613 GPRESSURE: 3728600 -274.146 48.1598 85.1684 120.522 193.329 -91.4138 8.32972 -114.096 280.981 PRESSAVG: 3728600 -63.7591 20.0273 19.3393 20.0272 56.9571 -33.8675 19.3395 -33.8674 32.9284 GPRESSAVG: 3728600 -64.477 18.1644 22.3293 22.0359 57.9427 -31.8793 18.4121 -34.4674 33.2111 TIMING: 3728600 CPU: 10803.4, 0.0028862/step Wall: 10803.4, 0.0028862/step, 1.01931 hours remaining, 210.351562 MB of memory in use. ENERGY: 3728600 696.7838 2095.7735 1961.0577 113.1468 -206180.4905 17770.6116 0.0000 0.0000 34154.3739 -149388.7433 298.2786 -183543.1172 -149288.6892 298.0055 31.3494 66.7213 557523.7414 8.7088 8.8923 PRESSURE: 3728800 271.388 -102.038 -37.7611 -102.037 117.835 -11.2711 -37.76 -11.2701 64.6576 GPRESSURE: 3728800 257.483 -27.6755 -49.6682 -101.27 137.424 76.2908 -48.5647 -0.80867 157.247 PRESSAVG: 3728800 -16.917 37.2686 -12.409 37.2686 5.54771 -23.4918 -12.4089 -23.4917 14.4563 GPRESSAVG: 3728800 -16.1984 39.746 -13.1989 35.7995 6.07226 -22.3159 -11.3645 -25.2474 13.7144 TIMING: 3728800 CPU: 10804, 0.00287376/step Wall: 10804, 0.00287376/step, 1.01476 hours remaining, 210.351562 MB of memory in use. ENERGY: 3728800 740.7142 2060.5651 1963.8060 107.0302 -206706.5912 18038.4430 0.0000 0.0000 34504.5193 -149291.5133 301.3365 -183796.0325 -149190.9379 298.5207 151.2934 184.0514 556080.2826 1.0290 1.1961 PRESSURE: 3729000 -45.8077 -7.26358 -45.5125 -7.26372 42.1666 140.063 -45.511 140.061 -66.1949 GPRESSURE: 3729000 40.1479 10.2898 -52.7874 -34.7677 39.9679 155.167 -121.941 118.051 -62.4556 PRESSAVG: 3729000 -47.3363 31.8068 -26.5606 31.8068 30.6611 -13.4423 -26.5606 -13.4424 20.9827 GPRESSAVG: 3729000 -46.563 31.8607 -25.3631 32.0402 29.6666 -14.6235 -28.343 -11.2748 21.2886 TIMING: 3729000 CPU: 10804.5, 0.00288027/step Wall: 10804.5, 0.00288027/step, 1.01689 hours remaining, 210.351562 MB of memory in use. ENERGY: 3729000 765.9748 2091.6096 1942.6590 94.9959 -206110.5030 17739.3029 0.0000 0.0000 34233.3197 -149242.6412 298.9681 -183475.9609 -149148.6008 299.0432 -23.2787 5.8867 558413.5040 1.4358 1.4641 PRESSURE: 3729200 126.108 0.778211 26.8521 0.778051 54.8759 -38.1933 26.8519 -38.193 57.4712 GPRESSURE: 3729200 111.208 22.8791 50.2195 60.2863 124.08 -20.0831 -107.985 24.7389 102.892 PRESSAVG: 3729200 2.28265 37.1575 -37.6714 37.1575 -51.9548 -0.730928 -37.6714 -0.730919 48.4315 GPRESSAVG: 3729200 0.974639 35.8959 -40.3884 38.1969 -50.7756 -1.98583 -35.2001 -2.10814 49.2128 TIMING: 3729200 CPU: 10805.1, 0.00286856/step Wall: 10805.1, 0.00286856/step, 1.0126 hours remaining, 210.351562 MB of memory in use. ENERGY: 3729200 765.9666 2108.4669 1932.9439 110.6471 -206620.5437 18108.4487 0.0000 0.0000 34319.9272 -149274.1432 299.7245 -183594.0704 -149181.6336 299.3235 79.4849 112.7267 557489.0999 -0.4136 -0.1961 PRESSURE: 3729400 201.826 -72.2183 35.3098 -72.2179 -148.146 -45.0663 35.31 -45.0666 38.283 GPRESSURE: 3729400 189.979 12.7506 83.901 -108.728 -117.768 -1.17342 -51.5604 -37.7717 119 PRESSAVG: 3729400 34.7945 -18.3503 -18.729 -18.3504 -35.5753 0.23051 -18.729 0.230454 22.4828 GPRESSAVG: 3729400 36.6438 -18.7822 -18.6004 -19.4705 -36.3032 1.4955 -18.8837 2.23785 21.608 TIMING: 3729400 CPU: 10805.7, 0.00287485/step Wall: 10805.7, 0.00287485/step, 1.01466 hours remaining, 210.351562 MB of memory in use. ENERGY: 3729400 781.9879 2057.5041 1946.5930 120.1743 -206513.8138 18068.6117 0.0000 0.0000 34159.7138 -149379.2289 298.3253 -183538.9428 -149284.9738 298.4733 30.6542 63.7372 558631.4767 7.2340 7.3162 PRESSURE: 3729600 214.313 0.450182 -6.90986 0.449412 -0.393685 57.0395 -6.90895 57.04 315.236 GPRESSURE: 3729600 278.361 96.8156 10.6715 -55.9369 -5.33396 68.4982 -38.6784 95.7203 340.631 PRESSAVG: 3729600 -17.6913 14.6502 -32.3271 14.6502 -31.7706 25.6694 -32.3271 25.6695 45.284 GPRESSAVG: 3729600 -18.7746 15.4471 -30.0207 14.3632 -32.2676 24.2108 -32.9603 24.2394 46.4241 TIMING: 3729600 CPU: 10806.3, 0.00289508/step Wall: 10806.3, 0.00289508/step, 1.02164 hours remaining, 210.351562 MB of memory in use. ENERGY: 3729600 816.5180 2086.3110 1948.6997 100.8170 -206838.7429 18365.7587 0.0000 0.0000 34006.4976 -149514.1410 296.9872 -183520.6385 -149412.1061 299.3772 176.3850 204.5528 557189.8693 -1.3926 -1.5393 PRESSURE: 3729800 75.7534 65.897 129.569 65.8974 30.0738 27.3924 129.568 27.3913 26.7654 GPRESSURE: 3729800 32.0349 -14.9666 135.292 34.5023 138.956 -39.5784 218.558 -27.4589 52.4573 PRESSAVG: 3729800 26.2404 4.99182 7.13298 4.99191 -49.5606 -64.815 7.13284 -64.8149 53.8008 GPRESSAVG: 3729800 27.1728 4.1859 5.55993 5.44325 -49.673 -64.6133 8.08817 -63.8711 53.4008 TIMING: 3729800 CPU: 10806.8, 0.00287643/step Wall: 10806.8, 0.00287643/step, 1.0149 hours remaining, 210.351562 MB of memory in use. ENERGY: 3729800 738.1902 2026.2311 1928.5573 112.1605 -206405.2966 17884.4856 0.0000 0.0000 34234.1837 -149481.4881 298.9756 -183715.6718 -149373.7850 298.8818 44.1975 74.4828 557065.0353 10.1602 10.3002 PRESSURE: 3730000 157.462 -42.2656 -14.9627 -42.2655 -63.6606 -26.262 -14.9636 -26.2629 -199.768 GPRESSURE: 3730000 125.877 -25.303 -14.7455 -61.258 45.6397 -20.5536 -73.1556 -63.6544 -177.977 PRESSAVG: 3730000 -15.1061 83.8027 6.50266 83.8027 -10.1968 26.6801 6.50266 26.6802 5.60319 GPRESSAVG: 3730000 -17.184 82.9815 9.05586 86.0714 -8.54908 26.8686 5.62941 25.7398 6.01969 TIMING: 3730000 CPU: 10807.4, 0.00285251/step Wall: 10807.4, 0.00285251/step, 1.0063 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3730000 754.3610 2049.8544 1972.8698 106.2987 -206608.2085 18001.7668 0.0000 0.0000 34464.6227 -149258.4352 300.9881 -183723.0578 -149156.5198 299.1870 -35.3224 -2.1532 557368.4018 -6.5666 -6.5711 PRESSURE: 3730200 149.356 115.778 -4.99445 115.778 -148.199 -46.8512 -4.99481 -46.8513 -86.3365 GPRESSURE: 3730200 230.144 109.145 14.8712 204.353 -167.388 -63.3982 -10.0722 -17.0406 -43.4292 PRESSAVG: 3730200 11.9419 -13.5892 -32.0098 -13.589 -51.0852 4.1906 -32.0099 4.19059 25.2371 GPRESSAVG: 3730200 12.5589 -14.2169 -32.7675 -14.8479 -52.1994 6.28712 -33.946 3.80324 25.5672 TIMING: 3730200 CPU: 10808, 0.00284873/step Wall: 10808, 0.00284873/step, 1.00481 hours remaining, 210.351562 MB of memory in use. ENERGY: 3730200 746.8838 2040.2829 1958.9120 114.3722 -205926.4386 17810.3884 0.0000 0.0000 34273.4365 -148982.1628 299.3184 -183255.5993 -148891.4364 299.6160 -28.3934 6.4423 559520.3576 -4.6354 -4.6911 PRESSURE: 3730400 -92.9271 -112.065 91.7899 -112.065 262.027 37.9049 91.7914 37.905 244.937 GPRESSURE: 3730400 -66.8737 -188.128 94.8693 -27.3155 312.023 29.9519 13.137 -23.6815 257.903 PRESSAVG: 3730400 -48.1037 -28.415 -13.6206 -28.415 -30.3548 -34.5486 -13.6206 -34.5487 22.9693 GPRESSAVG: 3730400 -47.4492 -25.9008 -11.9212 -28.9515 -29.3763 -37.4193 -13.4425 -33.2602 21.9448 TIMING: 3730400 CPU: 10808.6, 0.00286381/step Wall: 10808.6, 0.00286381/step, 1.00997 hours remaining, 210.351562 MB of memory in use. ENERGY: 3730400 743.6523 2027.1727 1974.5995 119.6006 -206291.1600 18120.5711 0.0000 0.0000 34352.2688 -148953.2950 300.0069 -183305.5638 -148848.0706 299.5149 138.0124 167.6840 559415.8327 -18.4964 -18.2936 PRESSURE: 3730600 -295.013 101.39 61.9843 101.388 -146.63 118.998 61.9852 118.999 -208.46 GPRESSURE: 3730600 -272.176 75.3212 60.5059 59.5527 -99.4486 156.696 106.493 78.0265 -189.866 PRESSAVG: 3730600 -61.9827 5.37807 35.1641 5.37802 4.29863 -18.1924 35.1641 -18.1922 16.345 GPRESSAVG: 3730600 -61.3173 4.79901 31.8932 5.99472 3.24616 -16.5092 36.5614 -17.4146 16.5361 TIMING: 3730600 CPU: 10809.1, 0.00287452/step Wall: 10809.1, 0.00287452/step, 1.01359 hours remaining, 210.351562 MB of memory in use. ENERGY: 3730600 737.6841 2087.8970 1958.2870 112.7610 -205614.6167 17556.9162 0.0000 0.0000 34025.8538 -149135.2177 297.1562 -183161.0715 -149034.2501 299.0043 -216.7010 -187.1635 560357.4611 -13.7797 -13.8450 PRESSURE: 3730800 159.164 37.4211 78.2714 37.4209 -106.721 3.27785 78.2714 3.27812 -107.207 GPRESSURE: 3730800 157.112 74.6579 74.8504 17.9322 -54.1351 -5.44429 81.775 76.4785 -67.0452 PRESSAVG: 3730800 73.7679 -43.4945 46.7954 -43.4946 -4.65643 -3.8844 46.7954 -3.88436 -21.2229 GPRESSAVG: 3730800 73.3589 -44.0443 47.8902 -44.8138 -3.48055 -3.52905 48.4406 -5.1968 -22.0304 TIMING: 3730800 CPU: 10809.7, 0.00285847/step Wall: 10809.7, 0.00285847/step, 1.00777 hours remaining, 210.351562 MB of memory in use. ENERGY: 3730800 741.4376 2068.6468 1960.2132 114.1295 -206016.6201 17787.6222 0.0000 0.0000 34169.4033 -149175.1676 298.4099 -183344.5709 -149088.6753 299.2178 -18.2546 11.9772 557933.9301 15.9629 15.9493 PRESSURE: 3731000 8.1719 125.611 12.7717 125.611 52.9288 -27.4123 12.7708 -27.4109 -172.777 GPRESSURE: 3731000 -31.7993 66.0396 -38.5076 128.864 100.526 25.3127 52.0564 -26.6969 -97.1834 PRESSAVG: 3731000 -3.65404 7.18808 -11.5038 7.18806 -18.5715 0.0482467 -11.5039 0.0483198 6.87952 GPRESSAVG: 3731000 -3.68207 7.17696 -11.9017 7.68278 -18.4321 -0.0910044 -11.654 2.1586 6.80747 TIMING: 3731000 CPU: 10810.3, 0.00286322/step Wall: 10810.3, 0.00286322/step, 1.00928 hours remaining, 210.351562 MB of memory in use. ENERGY: 3731000 782.6682 2046.9419 1947.0501 110.8424 -205980.9916 17738.6387 0.0000 0.0000 34249.5984 -149105.2518 299.1103 -183354.8502 -149011.5477 299.2960 -37.2254 -9.4854 557470.5684 -5.1154 -5.1022 PRESSURE: 3731200 183.599 -102.135 77.2368 -102.137 -110.085 189.743 77.2383 189.743 -189.494 GPRESSURE: 3731200 193.12 -121.747 104.199 -55.0307 -94.3455 182.019 54.7798 142.729 -117.819 PRESSAVG: 3731200 40.3278 -13.8505 4.4621 -13.8505 -20.0413 23.8137 4.46214 23.8137 23.1723 GPRESSAVG: 3731200 38.6978 -14.677 5.60252 -15.0105 -20.4836 23.786 2.38964 22.977 24.365 TIMING: 3731200 CPU: 10810.8, 0.00283924/step Wall: 10810.8, 0.00283924/step, 1.00067 hours remaining, 210.351562 MB of memory in use. ENERGY: 3731200 732.5860 2035.1904 1932.9564 101.5013 -205588.0487 17574.8074 0.0000 0.0000 34183.2682 -149027.7391 298.5310 -183211.0073 -148928.9797 300.1678 -38.6600 -6.3484 558907.4419 14.4863 14.1931 PRESSURE: 3731400 62.23 82.3994 172.17 82.4007 -31.2378 115.858 172.169 115.858 -62.0501 GPRESSURE: 3731400 58.4908 104.146 139.655 84.2874 20.0274 74.5771 179.396 55.9505 4.86322 PRESSAVG: 3731400 41.4662 -9.75219 12.8323 -9.7522 -62.7091 -8.03376 12.8325 -8.03379 -32.7689 GPRESSAVG: 3731400 42.8808 -9.1566 13.7629 -7.98224 -62.4455 -8.45856 13.354 -12.4337 -34.5305 TIMING: 3731400 CPU: 10811.4, 0.00285078/step Wall: 10811.4, 0.00285078/step, 1.00458 hours remaining, 210.351562 MB of memory in use. ENERGY: 3731400 732.1015 2066.0360 1962.2993 115.1242 -206130.4995 17847.4012 0.0000 0.0000 34326.9942 -149080.5430 299.7862 -183407.5372 -148978.4494 299.0719 -10.3526 27.7938 557723.1958 -18.0039 -18.0317 PRESSURE: 3731600 46.9832 18.9341 -95.701 18.9348 -91.0109 71.6301 -95.7017 71.6308 -110.473 GPRESSURE: 3731600 97.6736 44.3364 -136.043 -53.4423 -69.0137 91.8541 -80.8862 22.463 -87.1203 PRESSAVG: 3731600 20.0393 -7.74691 0.763161 -7.74684 37.1192 18.8057 0.76317 18.8056 -29.2964 GPRESSAVG: 3731600 19.9418 -10.0172 -2.23915 -8.98474 36.7402 17.7971 0.795744 21.668 -28.9953 TIMING: 3731600 CPU: 10812, 0.00285904/step Wall: 10812, 0.00285904/step, 1.00733 hours remaining, 210.351562 MB of memory in use. ENERGY: 3731600 743.2499 2045.2078 1953.3302 126.0154 -205860.1714 17654.1815 0.0000 0.0000 34383.8522 -148954.3343 300.2827 -183338.1866 -148858.3125 300.1317 -51.5003 -19.4868 557848.1158 9.2873 9.2289 PRESSURE: 3731800 55.5242 -127.654 54.556 -127.654 122.861 -73.3391 54.5573 -73.3371 -53.5088 GPRESSURE: 3731800 121.505 -97.6557 29.7083 -202.977 110.475 -8.38656 138.061 -49.8104 0.3234 PRESSAVG: 3731800 32.4108 29.0326 -34.3482 29.0326 -30.4866 1.20815 -34.3481 1.20812 6.92875 GPRESSAVG: 3731800 32.5575 30.2367 -33.6033 27.6223 -31.425 2.06596 -32.2114 2.39246 7.48039 TIMING: 3731800 CPU: 10812.6, 0.00287194/step Wall: 10812.6, 0.00287194/step, 1.01172 hours remaining, 210.351562 MB of memory in use. ENERGY: 3731800 707.3462 2064.6042 1932.9512 99.7086 -206015.6338 17899.7564 0.0000 0.0000 34386.2796 -148924.9876 300.3039 -183311.2672 -148823.7030 300.4158 41.6255 77.4343 558807.6779 2.9510 2.8710 PRESSURE: 3732000 173.564 -4.44914 52.6287 -4.44907 -211.918 -31.4615 52.6286 -31.4603 -6.23272 GPRESSURE: 3732000 177.394 -57.2792 33.6095 7.02459 -160.525 -37.2268 97.0331 -5.11856 33.4067 PRESSAVG: 3732000 -3.60335 51.0536 17.3113 51.0536 69.1985 -26.5101 17.3112 -26.51 -74.0643 GPRESSAVG: 3732000 -3.59579 49.3519 19.2994 53.1518 69.0942 -26.1514 14.9619 -28.9301 -73.581 TIMING: 3732000 CPU: 10813.1, 0.00285675/step Wall: 10813.1, 0.00285675/step, 1.00621 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3732000 729.6322 2023.6848 1958.9074 108.3995 -206056.8357 17674.7311 0.0000 0.0000 34658.1150 -148903.3657 302.6779 -183561.4807 -148807.4136 300.0446 -14.8622 16.7583 557933.6671 -2.8231 -2.6942 PRESSURE: 3732200 -14.9384 -88.9109 20.2347 -88.9117 -81.875 49.3662 20.2341 49.3675 33.0959 GPRESSURE: 3732200 16.7376 -73.1705 42.4104 -67.3167 -0.913506 93.7581 18.6053 33.5456 22.1688 PRESSAVG: 3732200 -34.2573 -11.2685 18.1679 -11.2686 44.3823 4.90783 18.168 4.9079 -34.4984 GPRESSAVG: 3732200 -33.9064 -8.19259 15.0489 -13.0203 45.5817 5.51522 21.0642 6.87051 -36.3007 TIMING: 3732200 CPU: 10813.7, 0.00285812/step Wall: 10813.7, 0.00285812/step, 1.00654 hours remaining, 210.351562 MB of memory in use. ENERGY: 3732200 716.2569 2120.2777 1927.5566 107.3893 -205812.4074 17808.0349 0.0000 0.0000 34252.6978 -148880.1942 299.1373 -183132.8920 -148782.7355 300.0782 -21.2391 12.6643 557993.9486 -8.1245 -8.2084 LDB: ============= START OF LOAD BALANCING ============== 10817.1 LDB: ============== END OF LOAD BALANCING =============== 10817.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10817.1 LDB: ============= START OF LOAD BALANCING ============== 10817.4 LDB: Largest compute 4792 load 0.029312 is 24.8% of average load 0.118026 LDB: Average compute 0.001726 is 1.5% of average load 0.118026 LDB: TIME 10817.4 LOAD: AVG 0.118026 MAX 0.179602 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 10817.4 LOAD: AVG 0.118026 MAX 0.179602 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: TIME 10817.4 LOAD: AVG 0.118026 MAX 0.179602 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: ============== END OF LOAD BALANCING =============== 10817.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10817.4 PRESSURE: 3732400 7.99379 144.467 44.5262 144.467 145.451 120.493 44.5268 120.492 -181.318 GPRESSURE: 3732400 91.188 91.9478 39.4112 107.539 103.497 94.789 -13.4632 78.327 -115.958 PRESSAVG: 3732400 -50.6914 -34.0589 63.4876 -34.0589 41.0983 2.82728 63.4878 2.82722 -20.8789 GPRESSAVG: 3732400 -50.9913 -36.8175 67.0831 -31.3539 40.4314 0.998505 60.7536 2.4035 -20.1708 TIMING: 3732400 CPU: 10814.3, 0.00291408/step Wall: 10814.3, 0.00291408/step, 1.02608 hours remaining, 211.691406 MB of memory in use. ENERGY: 3732400 752.9592 2113.8387 1916.3390 116.1378 -205989.2643 17907.5712 0.0000 0.0000 34368.8428 -148813.5756 300.1517 -183182.4184 -148713.1760 300.6590 -9.2910 26.2424 558038.8225 -10.1574 -10.2436 PRESSURE: 3732600 274.559 -20.0516 121.401 -20.0511 35.8294 26.1752 121.401 26.1758 256.091 GPRESSURE: 3732600 317.843 -6.88917 181.463 68.6544 115.22 35.7296 73.2758 -19.7847 238.828 PRESSAVG: 3732600 17.1772 16.0767 32.0904 16.0767 10.5819 12.5948 32.0904 12.5948 -3.79383 GPRESSAVG: 3732600 16.5042 19.7096 30.1083 14.1327 12.353 11.4216 33.2654 14.6256 -3.70701 TIMING: 3732600 CPU: 10814.9, 0.0028831/step Wall: 10814.9, 0.0028831/step, 1.01501 hours remaining, 211.691406 MB of memory in use. ENERGY: 3732600 728.4182 2066.4238 1939.1924 112.1061 -206210.7690 18044.8566 0.0000 0.0000 34544.2428 -148775.5291 301.6835 -183319.7719 -148672.8601 300.7202 188.8264 223.9633 556503.7251 7.9884 8.3834 PRESSURE: 3732800 -141.739 42.4405 56.9429 42.4397 -216.901 70.6496 56.9437 70.6504 -331.58 GPRESSURE: 3732800 -109.218 87.3224 67.7551 13.437 -215.624 -1.12839 69.8979 91.8304 -278.243 PRESSAVG: 3732800 9.82372 16.0233 -28.3219 16.0233 5.0698 2.25378 -28.3219 2.2537 23.8184 GPRESSAVG: 3732800 10.7852 13.7122 -29.9585 16.5453 4.47393 4.94678 -28.2601 -0.771912 22.9878 TIMING: 3732800 CPU: 10815.4, 0.00286798/step Wall: 10815.4, 0.00286798/step, 1.00953 hours remaining, 211.691406 MB of memory in use. ENERGY: 3732800 712.3408 2076.5059 1955.0108 109.8867 -205580.5315 17503.9408 0.0000 0.0000 34276.2747 -148946.5719 299.3432 -183222.8466 -148848.5144 300.6327 -230.0734 -201.0285 559024.9806 12.9040 12.7490 PRESSURE: 3733000 -33.4319 35.6359 55.872 35.6369 -212.611 46.2963 55.8719 46.2961 16.1022 GPRESSURE: 3733000 20.2377 -1.07542 -13.5284 15.5192 -187.911 119.043 20.8706 66.7044 20.4971 PRESSAVG: 3733000 50.5748 -8.57754 -3.60425 -8.57755 -20.1607 8.57047 -3.60421 8.57055 -5.85483 GPRESSAVG: 3733000 49.5016 -9.72291 -1.72385 -9.04684 -21.4857 9.30858 -4.89371 10.0102 -3.85978 TIMING: 3733000 CPU: 10816, 0.00289264/step Wall: 10816, 0.00289265/step, 1.01805 hours remaining, 211.691406 MB of memory in use. ENERGY: 3733000 782.3249 2030.1811 1930.8204 110.9913 -205885.5707 17705.2901 0.0000 0.0000 34305.0379 -149020.9251 299.5944 -183325.9631 -148929.1813 299.6664 -76.6469 -49.0587 558708.4907 8.1864 8.0521 PRESSURE: 3733200 -204.951 -223.18 26.1587 -223.181 89.9961 8.84876 26.1575 8.84889 -86.8142 GPRESSURE: 3733200 -135.105 -189.019 -10.1245 -109.647 84.9843 33.2951 76.8754 -29.7395 -66.7161 PRESSAVG: 3733200 -21.4256 -0.723945 -9.27557 -0.723938 10.2971 63.6256 -9.2756 63.6255 -17.8683 GPRESSAVG: 3733200 -21.2065 -0.932081 -10.9907 -0.693027 11.3758 62.5873 -5.8707 62.0192 -19.2204 TIMING: 3733200 CPU: 10816.6, 0.00289512/step Wall: 10816.6, 0.00289512/step, 1.01876 hours remaining, 211.691406 MB of memory in use. ENERGY: 3733200 758.0999 2090.2049 1936.1199 111.0917 -205743.8228 17655.4058 0.0000 0.0000 34158.1637 -149034.7369 298.3117 -183192.9006 -148940.7243 299.9232 -67.2564 -38.9455 560243.1168 -9.6656 -9.6837 PRESSURE: 3733400 -270.8 -51.5201 -14.695 -51.5191 -282.08 -2.76477 -14.6954 -2.76468 -112.239 GPRESSURE: 3733400 -187.25 -67.5581 92.1678 -69.2761 -297.355 -50.0562 -141.195 26.2767 -77.569 PRESSAVG: 3733400 -13.6064 -48.4347 -55.1304 -48.4347 57.3751 -6.44465 -55.1304 -6.44475 -40.7081 GPRESSAVG: 3733400 -13.1676 -46.9921 -52.809 -47.8142 57.0427 -7.18188 -58.7796 -5.88476 -40.79 TIMING: 3733400 CPU: 10817.2, 0.00290592/step Wall: 10817.2, 0.00290592/step, 1.0224 hours remaining, 211.691406 MB of memory in use. ENERGY: 3733400 750.5056 2130.3268 1955.0858 103.5665 -205996.7423 17637.8276 0.0000 0.0000 34467.0549 -148952.3750 301.0094 -183419.4299 -148862.1992 299.5469 -221.7061 -187.3912 559328.6134 1.0202 1.0284 PRESSURE: 3733600 -114.376 -64.2703 104.619 -64.2722 -46.4328 28.1581 104.618 28.1588 -319.74 GPRESSURE: 3733600 -55.7928 -29.1999 -33.9407 -28.5761 -4.10317 40.4162 165.72 11.8339 -320.901 PRESSAVG: 3733600 -1.28082 -45.0189 20.1253 -45.0189 46.9203 45.3226 20.1253 45.3226 -84.5963 GPRESSAVG: 3733600 -2.59452 -46.805 18.2403 -44.6537 46.3421 47.1512 21.887 44.7703 -83.1856 TIMING: 3733600 CPU: 10817.7, 0.00287347/step Wall: 10817.7, 0.00287347/step, 1.01082 hours remaining, 211.691406 MB of memory in use. ENERGY: 3733600 783.6371 2130.5998 1945.3513 109.0088 -205785.2994 17640.8166 0.0000 0.0000 34297.9457 -148877.9400 299.5325 -183175.8857 -148788.2855 299.8718 -160.1829 -126.9324 558443.2193 -12.9856 -13.1460 PRESSURE: 3733800 85.3751 -20.3305 -13.5524 -20.3299 -21.5048 -16.291 -13.5522 -16.2935 53.7098 GPRESSURE: 3733800 151.636 92.4003 -27.2604 15.4861 -3.04421 5.57589 -4.73208 59.1523 73.1775 PRESSAVG: 3733800 37.371 -17.7331 -2.92173 -17.7331 -7.66557 23.8594 -2.92176 23.8594 -30.8892 GPRESSAVG: 3733800 38.7153 -15.6454 -0.0458855 -18.599 -7.93632 21.0771 -3.35854 24.8679 -31.6846 TIMING: 3733800 CPU: 10818.3, 0.00287608/step Wall: 10818.3, 0.00287608/step, 1.01158 hours remaining, 211.691406 MB of memory in use. ENERGY: 3733800 723.4616 2081.7117 1948.5325 115.9897 -205931.9725 17767.6853 0.0000 0.0000 34351.6087 -148942.9830 300.0011 -183294.5917 -148845.7509 300.2486 39.1934 73.9230 557238.2660 -0.3946 -0.3019 PRESSURE: 3734000 62.5704 100.494 -202.185 100.495 84.0308 -114.711 -202.184 -114.71 10.3697 GPRESSURE: 3734000 110.279 35.7104 -203.807 50.9338 114.422 -126.359 -148.084 -43.2075 27.9943 PRESSAVG: 3734000 19.8463 -10.8504 14.7168 -10.8503 16.9843 40.5447 14.7168 40.5447 -25.1725 GPRESSAVG: 3734000 20.8545 -11.7005 11.6802 -8.99555 16.7422 40.9224 17.7475 41.5039 -26.2434 TIMING: 3734000 CPU: 10818.9, 0.00288583/step Wall: 10818.9, 0.00288583/step, 1.01485 hours remaining, 211.691406 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: 3734000 753.2277 2084.4880 1943.6988 127.3820 -206344.3599 17977.1972 0.0000 0.0000 34414.1894 -149044.1768 300.5477 -183458.3662 -148947.9266 300.0140 52.3236 84.2314 555841.4747 3.8861 3.7844 PRESSURE: 3734200 14.7099 -54.9973 -0.429568 -54.9964 -1.78332 46.5268 -0.429729 46.5276 -80.6085 GPRESSURE: 3734200 -46.5248 -40.9266 29.7898 -44.3589 72.6453 14.6103 -66.5059 9.11551 -6.9266 PRESSAVG: 3734200 -33.0762 -54.3032 -4.25772 -54.3033 -0.691484 15.3103 -4.2577 15.3103 61.4923 GPRESSAVG: 3734200 -35.3096 -51.8732 -2.92732 -54.9278 0.226028 17.6693 -6.23911 13.7047 62.7406 TIMING: 3734200 CPU: 10819.5, 0.00288012/step Wall: 10819.5, 0.00288012/step, 1.01268 hours remaining, 211.691406 MB of memory in use. ENERGY: 3734200 740.1971 2085.2866 1969.1058 120.9209 -206209.6387 17864.6102 0.0000 0.0000 34305.9256 -149123.5925 299.6022 -183429.5180 -149026.9826 300.0447 -22.5606 6.3980 556847.5447 9.2416 9.2190 PRESSURE: 3734400 -212.081 -80.6026 50.0149 -80.6019 -170.865 46.395 50.0156 46.3952 245.512 GPRESSURE: 3734400 -168.027 -111.363 110.2 -95.9843 -124.98 43.6919 136.074 84.8772 261.423 PRESSAVG: 3734400 -18.7198 1.82883 -0.229354 1.82891 14.8986 -61.1399 -0.22933 -61.1397 38.7092 GPRESSAVG: 3734400 -18.6476 0.139772 0.872616 1.5851 15.4189 -62.1761 0.259781 -60.1896 37.9618 TIMING: 3734400 CPU: 10820.1, 0.00287192/step Wall: 10820.1, 0.00287192/step, 1.00964 hours remaining, 211.691406 MB of memory in use. ENERGY: 3734400 754.6584 2160.9072 1976.4084 113.6486 -205998.0554 17619.0561 0.0000 0.0000 34400.7443 -148972.6324 300.4303 -183373.3767 -148871.7080 299.7090 -45.8112 -10.5280 556703.4410 11.6294 11.5777 PRESSURE: 3734600 18.935 -47.0982 82.3682 -47.0989 13.5926 -53.696 82.3689 -53.6965 -144.414 GPRESSURE: 3734600 98.5547 -6.75191 107.991 -83.7772 13.0203 -65.3147 81.3672 -96.8848 -127.703 PRESSAVG: 3734600 39.2438 -13.2534 28.3948 -13.2533 -12.6182 -19.6611 28.3948 -19.6612 28.266 GPRESSAVG: 3734600 38.5974 -12.1982 28.528 -12.3642 -12.7672 -18.7532 27.1816 -21.8359 29.1095 TIMING: 3734600 CPU: 10820.6, 0.00286628/step Wall: 10820.6, 0.00286628/step, 1.0075 hours remaining, 211.691406 MB of memory in use. ENERGY: 3734600 742.2457 2146.0780 1974.6176 115.2111 -206503.1515 17792.9094 0.0000 0.0000 34617.4394 -149114.6503 302.3227 -183732.0897 -149014.9821 300.7275 -37.2955 -5.3760 557842.9149 18.2972 18.3132 PRESSURE: 3734800 -377.53 197.913 190.139 197.912 -28.9707 34.1747 190.139 34.1759 -167.51 GPRESSURE: 3734800 -315.572 76.7682 253.719 303.007 -27.8546 -19.4107 129.014 8.78324 -133.07 PRESSAVG: 3734800 -34.7931 -32.9246 -1.53182 -32.9245 81.0859 13.4599 -1.53187 13.4598 -26.1162 GPRESSAVG: 3734800 -33.0746 -33.4983 -2.80411 -34.6742 80.951 12.2986 -1.49336 15.5301 -27.449 TIMING: 3734800 CPU: 10821.2, 0.00286778/step Wall: 10821.2, 0.00286778/step, 1.00786 hours remaining, 211.691406 MB of memory in use. ENERGY: 3734800 753.7883 2117.3053 1966.6230 116.2800 -206203.0502 17656.0888 0.0000 0.0000 34546.3940 -149046.5708 301.7023 -183592.9648 -148944.0777 300.3417 -191.3369 -158.8325 558633.3186 6.7255 6.8091 PRESSURE: 3735000 -99.475 55.912 15.0531 55.9124 -51.8626 -141.135 15.053 -141.134 -259.017 GPRESSURE: 3735000 -89.0992 45.3867 38.1463 27.7001 -26.833 -132.082 -16.0564 -174.732 -200.654 PRESSAVG: 3735000 -10.367 6.16896 19.912 6.16902 5.19419 -7.09578 19.9119 -7.09582 -8.59523 GPRESSAVG: 3735000 -10.0869 4.56886 19.0778 6.45987 4.28096 -6.981 20.6234 -7.30514 -8.35784 TIMING: 3735000 CPU: 10821.8, 0.00286328/step Wall: 10821.8, 0.00286328/step, 1.00613 hours remaining, 211.691406 MB of memory in use. ENERGY: 3735000 765.5423 2178.3261 1949.3699 118.4250 -205797.1611 17648.2074 0.0000 0.0000 34200.2777 -148937.0126 298.6795 -183137.2903 -148839.1437 300.0276 -136.7849 -105.5287 559910.1879 -4.5893 -4.7213 PRESSURE: 3735200 20.0695 137.069 53.4861 137.069 -62.2801 9.08019 53.4858 9.08016 118.937 GPRESSURE: 3735200 63.8584 109.22 -38.2454 103.365 -52.932 44.3233 101.803 -73.6662 153.955 PRESSAVG: 3735200 -28.5211 14.0444 40.5352 14.0444 5.95762 -24.9981 40.5351 -24.9981 50.4144 GPRESSAVG: 3735200 -28.8632 14.4553 40.9799 15.0738 6.40453 -24.4838 39.4481 -27.3346 50.3119 TIMING: 3735200 CPU: 10822.3, 0.00288189/step Wall: 10822.3, 0.00288189/step, 1.0125 hours remaining, 211.691406 MB of memory in use. ENERGY: 3735200 688.6931 2076.8747 1957.3995 114.5598 -206105.1215 17849.7417 0.0000 0.0000 34387.8230 -149030.0298 300.3174 -183417.8528 -148939.6983 300.0814 25.5755 54.9603 559429.1159 9.2837 9.2844 PRESSURE: 3735400 -244.198 -178.386 -4.63411 -178.386 -65.5288 -27.1118 -4.63485 -27.1113 19.5669 GPRESSURE: 3735400 -213.932 -167.319 -33.3089 -188.693 -25.7156 92.9321 -12.1072 -26.5076 44.8711 PRESSAVG: 3735400 43.4929 12.1867 14.1342 12.1867 -51.7998 -38.4277 14.1342 -38.4277 14.1084 GPRESSAVG: 3735400 44.4513 11.8416 15.7575 13.2988 -51.5659 -39.1019 14.4814 -36.3798 13.3931 TIMING: 3735400 CPU: 10822.9, 0.00286364/step Wall: 10822.9, 0.00286364/step, 1.00593 hours remaining, 211.691406 MB of memory in use. ENERGY: 3735400 729.1193 2116.9057 1962.2082 121.6404 -205842.2254 17776.8005 0.0000 0.0000 34266.1468 -148869.4045 299.2548 -183135.5513 -148781.2907 299.6487 -96.7199 -64.9256 560225.8247 1.9338 2.0928 PRESSURE: 3735600 -49.1246 14.2017 -103.89 14.2022 -356.64 141.976 -103.89 141.976 -367.15 GPRESSURE: 3735600 -102.806 98.0198 -166.042 66.8411 -277.182 118.957 -19.6858 118.425 -291.736 PRESSAVG: 3735600 -16.3559 21.0903 -46.5124 21.0904 25.9818 28.1172 -46.5124 28.1173 -4.00632 GPRESSAVG: 3735600 -17.5928 20.0476 -47.3922 22.0042 26.5679 26.5417 -46.6367 26.8068 -3.13435 TIMING: 3735600 CPU: 10823.5, 0.0029011/step Wall: 10823.5, 0.0029011/step, 1.01893 hours remaining, 211.691406 MB of memory in use. ENERGY: 3735600 749.4247 2128.8274 1937.9805 110.8430 -205784.9765 17611.8445 0.0000 0.0000 34278.7583 -148967.2981 299.3649 -183246.0564 -148876.4994 299.8310 -257.6383 -223.9082 559397.3194 1.8732 1.9469 PRESSURE: 3735800 -81.4128 245.113 31.9687 245.112 2.6379 38.3982 31.9681 38.3961 133.417 GPRESSURE: 3735800 -38.0373 252.156 54.6995 153.208 5.82588 73.7085 -19.1699 -4.01852 183.066 PRESSAVG: 3735800 17.1715 49.6986 -68.3848 49.6985 -46.3632 23.3837 -68.3848 23.3838 43.1667 GPRESSAVG: 3735800 16.8533 50.3967 -69.9045 45.6907 -45.5853 24.2315 -67.9673 24.1065 43.0017 TIMING: 3735800 CPU: 10824.1, 0.0028959/step Wall: 10824.1, 0.0028959/step, 1.01694 hours remaining, 211.691406 MB of memory in use. ENERGY: 3735800 698.8574 2096.7407 1929.8982 118.8557 -206050.9763 17942.7648 0.0000 0.0000 34312.5872 -148951.2723 299.6604 -183263.8595 -148852.2291 299.9923 18.2140 50.2848 560277.0620 4.6583 4.7566 PRESSURE: 3736000 142.277 59.1449 6.8736 59.146 -11.3808 57.4861 6.87276 57.4883 -64.9659 GPRESSURE: 3736000 153.444 -18.9588 8.70195 81.0698 5.13458 83.1159 7.52609 74.8538 4.57994 PRESSAVG: 3736000 63.8075 45.3079 -11.4714 45.3078 -58.0932 33.9545 -11.4713 33.9546 36.7339 GPRESSAVG: 3736000 64.2278 46.2361 -10.548 46.6545 -59.5016 33.8035 -11.5732 35.35 37.579 TIMING: 3736000 CPU: 10824.7, 0.00288408/step Wall: 10824.7, 0.00288408/step, 1.01263 hours remaining, 211.691406 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: 3736000 735.0498 2150.2340 1953.4900 114.6985 -205943.4473 17750.3346 0.0000 0.0000 34296.7336 -148942.9068 299.5219 -183239.6404 -148842.0730 300.3080 21.9768 54.3863 557421.2459 14.1494 14.1017 PRESSURE: 3736200 -10.271 14.5309 1.24521 14.5315 -226.097 133.105 1.24667 133.104 -229.766 GPRESSURE: 3736200 -11.3083 -20.4732 22.9203 49.6003 -174.116 143.087 -101.371 114.204 -186.017 PRESSAVG: 3736200 35.4213 10.4152 -52.2908 10.4152 -29.1383 89.7194 -52.2909 89.7194 10.4597 GPRESSAVG: 3736200 34.6447 9.18502 -52.3393 11.1602 -28.2573 91.0521 -52.5106 87.2186 10.0294 TIMING: 3736200 CPU: 10825.2, 0.00287665/step Wall: 10825.2, 0.00287665/step, 1.00986 hours remaining, 211.691406 MB of memory in use. ENERGY: 3736200 743.1473 2079.4092 1938.7877 107.4035 -205636.2099 17635.6271 0.0000 0.0000 34179.1527 -148952.6823 298.4950 -183131.8350 -148850.5994 300.1776 -155.3780 -123.8139 560113.8900 5.5809 5.4722 LDB: ============= START OF LOAD BALANCING ============== 10828.6 LDB: ============== END OF LOAD BALANCING =============== 10828.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10828.6 LDB: ============= START OF LOAD BALANCING ============== 10828.9 LDB: Largest compute 4792 load 0.029751 is 25.2% of average load 0.117979 LDB: Average compute 0.001722 is 1.5% of average load 0.117979 LDB: TIME 10828.9 LOAD: AVG 0.117979 MAX 0.179707 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.543 MB LDB: TIME 10828.9 LOAD: AVG 0.117979 MAX 0.179707 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.746 MB LDB: TIME 10828.9 LOAD: AVG 0.117979 MAX 0.179707 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.746 MB LDB: ============== END OF LOAD BALANCING =============== 10828.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10828.9 PRESSURE: 3736400 -57.957 -111.814 31.7645 -111.815 -22.6156 -31.6728 31.7646 -31.6728 13.3704 GPRESSURE: 3736400 -4.30343 -0.0633847 -47.346 -169.22 -12.9792 18.2591 29.4845 -59.7179 48.8708 PRESSAVG: 3736400 49.3984 -79.4156 -17.6234 -79.4156 27.1403 56.6389 -17.6234 56.6388 -41.3545 GPRESSAVG: 3736400 49.9903 -75.3032 -15.8274 -82.5109 26.4236 56.6167 -16.5073 56.7781 -41.8615 TIMING: 3736400 CPU: 10825.8, 0.00291736/step Wall: 10825.8, 0.00291736/step, 1.02399 hours remaining, 211.121094 MB of memory in use. ENERGY: 3736400 772.7327 2134.3003 1950.4116 117.3220 -206347.6919 17933.0953 0.0000 0.0000 34588.5434 -148851.2865 302.0704 -183439.8299 -148756.9345 300.8557 -22.4007 10.5294 557729.0071 11.7281 11.5175 PRESSURE: 3736600 -102.744 -170.315 158.311 -170.316 -15.3419 -57.4548 158.31 -57.4545 -75.479 GPRESSURE: 3736600 -69.4535 -181.933 140.659 -134.838 21.1463 47.6729 153.254 -104.212 -67.2732 PRESSAVG: 3736600 2.43214 -56.385 -9.8281 -56.385 -31.645 -30.3921 -9.82819 -30.392 22.3427 GPRESSAVG: 3736600 2.95719 -62.4073 -13.7184 -53.8515 -32.2883 -31.2948 -9.58041 -29.5248 22.0611 TIMING: 3736600 CPU: 10826.4, 0.00286029/step Wall: 10826.4, 0.00286029/step, 1.0038 hours remaining, 211.121094 MB of memory in use. ENERGY: 3736600 712.2352 2127.9209 1932.6928 117.2666 -205904.6910 17791.0537 0.0000 0.0000 34380.2485 -148843.2732 300.2513 -183223.5218 -148743.0200 300.6348 -64.5218 -38.5268 558553.0171 -2.2900 -2.4234 PRESSURE: 3736800 81.9592 -268.279 60.189 -268.278 23.8984 -8.29502 60.189 -8.2936 100.059 GPRESSURE: 3736800 124.04 -226.952 13.6424 -267.629 40.9686 -19.4071 -6.22727 13.4311 131.649 PRESSAVG: 3736800 42.7195 13.5989 18.3117 13.5989 -10.1441 -7.83111 18.3117 -7.83122 4.53384 GPRESSAVG: 3736800 42.0544 16.1302 19.2961 15.3073 -8.7479 -6.19125 18.8001 -5.55955 4.35169 TIMING: 3736800 CPU: 10827, 0.00285537/step Wall: 10827, 0.00285537/step, 1.00192 hours remaining, 211.121094 MB of memory in use. ENERGY: 3736800 736.6449 2127.0820 1935.5342 107.6471 -205885.6483 17782.6866 0.0000 0.0000 34369.6679 -148826.3856 300.1589 -183196.0535 -148730.2362 300.3838 68.6390 98.8856 558157.5355 12.3697 12.5527 PRESSURE: 3737000 212.419 -13.0464 -10.6161 -13.0462 -16.2396 60.8396 -10.6162 60.8385 -24.9292 GPRESSURE: 3737000 237.869 -41.523 -89.4711 -15.2017 11.2131 67.4556 -6.604 46.0107 15.1327 PRESSAVG: 3737000 77.585 1.05762 50.1596 1.05774 -13.2957 44.1715 50.1596 44.1715 -35.6186 GPRESSAVG: 3737000 78.986 1.42895 49.1612 -1.57314 -14.3443 42.7525 49.713 43.1185 -36.2205 TIMING: 3737000 CPU: 10827.5, 0.00286589/step Wall: 10827.5, 0.00286589/step, 1.00545 hours remaining, 211.121094 MB of memory in use. ENERGY: 3737000 754.7046 2120.4711 1945.2243 117.6223 -205815.6455 17799.8975 0.0000 0.0000 34289.0192 -148788.7066 299.4545 -183077.7258 -148689.9499 300.7756 57.0834 88.0715 557276.4289 9.5569 9.4738 PRESSURE: 3737200 15.2314 -180.414 94.0769 -180.413 130.533 -74.6665 94.0762 -74.6643 -269.034 GPRESSURE: 3737200 12.685 -198.917 70.9771 -190.844 185.464 -21.2919 69.4542 -110.187 -222.073 PRESSAVG: 3737200 51.6804 -54.5151 43.6828 -54.515 -30.0017 2.06126 43.6829 2.06135 -45.2273 GPRESSAVG: 3737200 50.8725 -56.4816 45.004 -53.6842 -30.35 4.1798 42.5563 0.217733 -44.0488 TIMING: 3737200 CPU: 10828.1, 0.00286509/step Wall: 10828.1, 0.00286509/step, 1.00501 hours remaining, 211.121094 MB of memory in use. ENERGY: 3737200 767.0629 2125.8014 1910.7334 110.8816 -205772.0893 17736.8880 0.0000 0.0000 34140.6897 -148980.0324 298.1591 -183120.7220 -148888.0758 300.2183 -41.0899 -7.9747 558215.6498 -7.8495 -7.8421 PRESSURE: 3737400 -35.6496 -103.479 68.0712 -103.48 32.1431 43.5862 68.0705 43.5854 -361.182 GPRESSURE: 3737400 32.0644 -82.0862 93.3176 -52.2206 44.4344 49.4092 80.6314 -79.3755 -333.906 PRESSAVG: 3737400 -26.7947 -52.2681 62.5265 -52.2681 31.9714 -14.2839 62.5266 -14.2839 -7.73116 GPRESSAVG: 3737400 -26.1992 -50.5978 61.9984 -52.0241 32.2148 -16.1057 63.6021 -12.6551 -7.92512 TIMING: 3737400 CPU: 10828.7, 0.00286191/step Wall: 10828.7, 0.00286191/step, 1.00374 hours remaining, 211.121094 MB of memory in use. ENERGY: 3737400 784.3193 2088.6437 1912.2724 98.1696 -206247.0332 17849.8980 0.0000 0.0000 34437.3131 -149076.4172 300.7496 -183513.7304 -148972.9962 299.6149 -121.5627 -85.8025 557361.8954 -0.8515 -0.6365 PRESSURE: 3737600 96.4441 -23.7448 94.3876 -23.7444 -65.7696 74.078 94.3869 74.0783 -279.373 GPRESSURE: 3737600 133.71 -55.7097 56.3685 -41.3194 -38.9357 78.9707 141.746 126.737 -243.393 PRESSAVG: 3737600 56.032 -57.8231 44.0345 -57.823 -17.776 14.7241 44.0345 14.724 -58.8598 GPRESSAVG: 3737600 56.5415 -56.9256 45.6628 -60.2045 -17.003 14.0688 43.1017 13.0667 -59.5218 TIMING: 3737600 CPU: 10829.3, 0.00288084/step Wall: 10829.3, 0.00288084/step, 1.01022 hours remaining, 211.121094 MB of memory in use. ENERGY: 3737600 788.8036 2122.9218 1942.7739 100.7279 -205899.6771 17778.8889 0.0000 0.0000 34200.7205 -148964.8404 298.6834 -183165.5609 -148864.7269 299.9580 -82.8995 -49.5395 558943.9755 -6.8679 -6.6611 PRESSURE: 3737800 -107.193 73.0789 -15.1446 73.0802 155.269 -95.0904 -15.1433 -95.0908 2.87797 GPRESSURE: 3737800 -10.8478 94.1339 39.1676 126.94 182.829 -132.218 9.94374 -66.7963 -21.1017 PRESSAVG: 3737800 -66.5192 21.2832 66.0796 21.2832 -43.4951 32.4452 66.0796 32.4452 75.4368 GPRESSAVG: 3737800 -65.8499 18.8956 66.4463 23.837 -43.4622 33.3806 64.735 32.72 75.0242 TIMING: 3737800 CPU: 10829.8, 0.0028892/step Wall: 10829.8, 0.0028892/step, 1.01299 hours remaining, 211.121094 MB of memory in use. ENERGY: 3737800 744.4923 2074.6836 1933.9104 103.0304 -206030.2380 17701.2303 0.0000 0.0000 34503.0370 -148969.8540 301.3236 -183472.8911 -148870.1606 300.5024 16.9848 50.2932 556965.5677 -11.5258 -11.4293 PRESSURE: 3738000 -184.968 30.4064 -114.668 30.4064 21.5297 169.77 -114.668 169.771 -129.96 GPRESSURE: 3738000 -117.714 10.2908 -2.6582 149.435 6.34614 110.987 -115.177 142.187 -78.6636 PRESSAVG: 3738000 -57.6648 -7.36526 -45.3567 -7.36528 46.0963 83.803 -45.3566 83.8031 0.650921 GPRESSAVG: 3738000 -58.4696 -7.34167 -45.7535 -7.68979 46.4506 80.9816 -44.5006 85.0218 0.555836 TIMING: 3738000 CPU: 10830.4, 0.00288567/step Wall: 10830.4, 0.00288567/step, 1.01159 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3738000 827.2683 2042.8572 1972.8730 110.5082 -206346.4361 17822.9130 0.0000 0.0000 34601.3309 -148968.6854 302.1820 -183570.0163 -148873.3618 299.8743 -97.7994 -63.3438 556590.8944 -3.6392 -3.8211 PRESSURE: 3738200 -17.7076 -24.0734 2.0689 -24.0731 -42.0834 -104.354 2.06879 -104.353 26.3528 GPRESSURE: 3738200 17.7249 4.23881 -12.8685 -20.8141 -10.2407 -100.001 -40.2368 -73.1165 59.4107 PRESSAVG: 3738200 -4.86238 30.119 3.19187 30.119 -43.0169 17.9673 3.19177 17.9671 14.913 GPRESSAVG: 3738200 -3.99859 31.6941 2.79665 30.7074 -44.4624 20.5036 3.44423 17.0218 15.5585 TIMING: 3738200 CPU: 10831, 0.00285412/step Wall: 10831, 0.00285412/step, 1.00037 hours remaining, 211.121094 MB of memory in use. ENERGY: 3738200 759.0666 2121.0565 1939.8335 114.5840 -206271.9207 17961.0501 0.0000 0.0000 34212.5519 -149163.7780 298.7867 -183376.3299 -149073.4630 300.0221 -11.1461 22.2983 557527.8286 -10.9887 -10.9675 PRESSURE: 3738400 -37.8092 84.14 29.3254 84.1397 -49.4169 167.26 29.3267 167.26 57.2322 GPRESSURE: 3738400 -81.5523 66.6365 69.9367 104.922 14.4573 107.044 -8.00783 208.502 139.046 PRESSAVG: 3738400 -67.9255 -51.0397 27.8656 -51.0397 6.30014 21.9192 27.8656 21.9192 32.3325 GPRESSAVG: 3738400 -68.6098 -50.565 27.887 -50.1398 6.88029 19.7372 29.6416 22.8248 32.5514 TIMING: 3738400 CPU: 10831.6, 0.00288054/step Wall: 10831.6, 0.00288054/step, 1.00947 hours remaining, 211.121094 MB of memory in use. ENERGY: 3738400 755.8696 2070.0983 1973.8378 110.1570 -206366.1798 17837.5574 0.0000 0.0000 34115.2364 -149503.4233 297.9368 -183618.6597 -149410.3010 298.7473 -9.9980 23.9836 557610.8324 -9.7643 -9.7260 PRESSURE: 3738600 -304.77 -177.646 -196.773 -177.645 -65.1661 20.0765 -196.772 20.0761 35.7425 GPRESSURE: 3738600 -227.646 -163.675 -236.663 -148.279 -48.4548 89.9962 -165.335 26.95 42.4855 PRESSAVG: 3738600 -75.8232 15.0025 -60.5254 15.0025 17.8684 48.4929 -60.5253 48.4929 -13.6508 GPRESSAVG: 3738600 -76.3544 15.402 -60.0752 12.7036 18.8914 50.4624 -62.001 48.0101 -14.0208 TIMING: 3738600 CPU: 10832.1, 0.00289202/step Wall: 10832.1, 0.00289202/step, 1.01333 hours remaining, 211.121094 MB of memory in use. ENERGY: 3738600 733.8429 2087.5783 1957.0740 103.4039 -206459.0316 17693.9199 0.0000 0.0000 34342.7471 -149540.4655 299.9238 -183883.2126 -149451.7123 298.7486 -111.3979 -77.8717 557073.0165 -23.8685 -23.8280 PRESSURE: 3738800 29.2554 -38.5389 -15.8412 -38.5396 -66.3619 213.183 -15.8403 213.182 -244.327 GPRESSURE: 3738800 66.1308 11.688 10.8066 -30.2271 0.467285 171.244 -36.7997 186.422 -247.888 PRESSAVG: 3738800 -1.29109 50.4485 -66.7777 50.4485 19.3882 -4.5269 -66.7777 -4.52697 27.2611 GPRESSAVG: 3738800 -0.829091 50.9533 -66.7152 52.4769 18.7333 -5.44197 -67.4324 -3.07712 27.5995 TIMING: 3738800 CPU: 10832.7, 0.00291456/step Wall: 10832.7, 0.00291456/step, 1.02107 hours remaining, 211.121094 MB of memory in use. ENERGY: 3738800 758.4943 2057.4650 1947.2672 110.5415 -206424.5703 17822.7746 0.0000 0.0000 34537.0266 -149191.0010 301.6204 -183728.0276 -149101.5187 299.0488 -93.8112 -60.4300 557689.9031 15.1194 15.1679 PRESSURE: 3739000 -246.348 46.4902 178.874 46.4891 -73.5955 -44.1974 178.875 -44.1979 230.495 GPRESSURE: 3739000 -188.509 113.267 120.033 86.0044 -50.1755 -30.0372 124.303 20.6258 236.851 PRESSAVG: 3739000 -62.654 8.10508 -33.4034 8.10512 27.5529 29.5169 -33.4034 29.5169 10.5871 GPRESSAVG: 3739000 -61.4898 6.99196 -33.9405 8.52887 26.3427 30.1477 -31.8271 29.1109 10.5995 TIMING: 3739000 CPU: 10833.3, 0.00290986/step Wall: 10833.3, 0.00290986/step, 1.01926 hours remaining, 211.121094 MB of memory in use. ENERGY: 3739000 753.4675 2067.6109 1969.6629 106.0135 -206164.9451 17714.1985 0.0000 0.0000 34430.0249 -149123.9670 300.6860 -183553.9919 -149020.1871 299.2301 -29.8159 -0.6113 557806.1782 -8.1714 -8.1825 PRESSURE: 3739200 164.642 150.033 -77.8691 150.033 -65.9054 -11.9541 -77.8696 -11.9531 -59.1653 GPRESSURE: 3739200 213.987 49.7655 -109.167 197.508 -51.8608 33.8803 -27.1283 -9.94276 -32.3375 PRESSAVG: 3739200 92.5008 0.261145 -4.57195 0.261136 -30.7653 22.4702 -4.57196 22.4703 -50.6014 GPRESSAVG: 3739200 90.4446 -0.58987 -5.52596 0.988833 -28.5194 23.0372 -4.04498 23.5351 -50.4789 TIMING: 3739200 CPU: 10833.9, 0.00288905/step Wall: 10833.9, 0.00288905/step, 1.01181 hours remaining, 211.121094 MB of memory in use. ENERGY: 3739200 713.5761 2148.7650 1917.2208 108.5018 -206477.1914 18025.3008 0.0000 0.0000 34473.7919 -149090.0350 301.0682 -183563.8268 -148991.7665 299.4387 13.1906 43.2628 558074.7651 3.7114 3.8154 PRESSURE: 3739400 170.567 -55.1508 149.213 -55.1504 9.2867 -24.0452 149.212 -24.0442 -70.0609 GPRESSURE: 3739400 212.123 -30.7334 137.817 -7.19594 -15.2591 -13.0972 98.1327 11.1764 9.43846 PRESSAVG: 3739400 -0.179022 -21.5444 13.375 -21.5442 -7.14528 14.3119 13.3749 14.312 15.9728 GPRESSAVG: 3739400 0.93534 -21.2559 15.2234 -22.802 -8.29854 11.9238 12.8948 13.6969 15.8742 TIMING: 3739400 CPU: 10834.4, 0.0028765/step Wall: 10834.4, 0.00287651/step, 1.00726 hours remaining, 211.121094 MB of memory in use. ENERGY: 3739400 736.9311 2131.1349 1938.2826 120.7479 -206136.5976 17916.7495 0.0000 0.0000 34291.0254 -149001.7263 299.4721 -183292.7517 -148912.0323 299.8806 36.5976 68.7675 559166.7160 2.8828 2.8370 PRESSURE: 3739600 -166.966 14.8158 -140.38 14.8154 68.6972 -282.171 -140.379 -282.169 -129.639 GPRESSURE: 3739600 -102.454 95.805 -62.4183 -55.0027 77.7496 -291.126 -228.032 -359.998 -106.244 PRESSAVG: 3739600 30.8819 -7.05821 -50.6859 -7.05811 10.9841 -4.37915 -50.6858 -4.37923 -7.63231 GPRESSAVG: 3739600 30.8087 -4.60758 -49.5891 -8.19788 10.3637 -2.03017 -51.1248 -5.31684 -7.43706 TIMING: 3739600 CPU: 10835, 0.00287392/step Wall: 10835, 0.00287392/step, 1.00619 hours remaining, 211.121094 MB of memory in use. ENERGY: 3739600 729.0577 2092.2457 1951.9728 110.2753 -205941.0001 17582.4289 0.0000 0.0000 34452.7508 -149022.2688 300.8844 -183475.0196 -148928.0119 300.1035 -75.9691 -43.6497 557543.9080 11.4112 11.2451 PRESSURE: 3739800 -41.8024 26.6647 4.23497 26.6657 -214.734 -54.8996 4.23623 -54.8985 110.505 GPRESSURE: 3739800 -33.5744 172.432 -60.8103 -13.0067 -179.655 -65.1671 18.5166 -2.02134 153.427 PRESSAVG: 3739800 16.0892 18.2659 -56.2009 18.2659 18.1706 7.78455 -56.201 7.78451 -4.32736 GPRESSAVG: 3739800 15.7665 15.045 -59.118 18.6959 18.2483 7.87388 -54.9384 9.20152 -3.82343 TIMING: 3739800 CPU: 10835.6, 0.00290451/step Wall: 10835.6, 0.00290451/step, 1.01674 hours remaining, 211.121094 MB of memory in use. ENERGY: 3739800 761.6169 2118.7090 1935.8716 114.5607 -205843.0845 17648.2962 0.0000 0.0000 34209.0667 -149054.9635 298.7563 -183264.0302 -148961.1942 300.1076 -48.6771 -19.9339 558780.5016 9.9775 10.0638 PRESSURE: 3740000 -200.764 21.1435 -28.1181 21.1447 -2.67203 -69.4782 -28.1191 -69.477 54.4071 GPRESSURE: 3740000 -186.347 25.8292 -68.7778 18.8025 79.6105 -61.3194 -65.0473 -93.2431 57.1946 PRESSAVG: 3740000 -8.21676 -44.4288 11.5781 -44.4288 -30.6619 -19.0064 11.5781 -19.0065 -14.7007 GPRESSAVG: 3740000 -8.33583 -42.0475 13.8163 -43.8852 -29.5423 -21.0814 10.6654 -17.1117 -16.0414 TIMING: 3740000 CPU: 10836.2, 0.00286694/step Wall: 10836.2, 0.00286694/step, 1.00343 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3740000 765.4052 2083.2774 1933.7183 115.3944 -206264.8131 17699.4548 0.0000 0.0000 34540.4795 -149127.0835 301.6506 -183667.5630 -149029.5057 299.6401 -49.6764 -16.5139 558412.8745 -17.8598 -17.9732 PRESSURE: 3740200 31.7123 27.729 242.653 27.7287 52.5949 -38.2278 242.652 -38.2254 59.4289 GPRESSURE: 3740200 53.0363 97.4889 259.563 24.4162 88.856 -1.16982 165.53 -106.461 96.8956 PRESSAVG: 3740200 -23.4965 37.4306 28.2981 37.4305 -79.0375 -50.7773 28.2981 -50.7773 82.8921 GPRESSAVG: 3740200 -23.903 35.4003 26.9921 38.1099 -79.3689 -50.3609 28.5168 -52.3261 83.7487 TIMING: 3740200 CPU: 10836.8, 0.00288039/step Wall: 10836.8, 0.00288039/step, 1.00798 hours remaining, 211.121094 MB of memory in use. ENERGY: 3740200 779.4353 2087.7893 1956.3427 112.8149 -206657.0899 18094.1752 0.0000 0.0000 34368.0721 -149258.4604 300.1449 -183626.5325 -149160.9691 299.7156 47.9120 79.5960 556457.2692 -6.5473 -6.5077 LDB: ============= START OF LOAD BALANCING ============== 10840.1 LDB: ============== END OF LOAD BALANCING =============== 10840.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10840.1 LDB: ============= START OF LOAD BALANCING ============== 10840.4 LDB: Largest compute 4792 load 0.028586 is 24.2% of average load 0.117988 LDB: Average compute 0.001722 is 1.5% of average load 0.117988 LDB: TIME 10840.4 LOAD: AVG 0.117988 MAX 0.180397 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 10840.4 LOAD: AVG 0.117988 MAX 0.180397 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 10840.4 LOAD: AVG 0.117988 MAX 0.180397 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: ============== END OF LOAD BALANCING =============== 10840.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10840.4 PRESSURE: 3740400 74.2322 -58.6591 29.2733 -58.6571 -181.73 36.5244 29.2739 36.5252 -238.178 GPRESSURE: 3740400 61.7082 -78.466 -65.4755 -69.6177 -144.13 141.05 128.027 -40.2762 -170.454 PRESSAVG: 3740400 26.9663 2.74389 0.696745 2.74391 -38.7806 14.6768 0.696725 14.6768 -5.90505 GPRESSAVG: 3740400 27.7197 4.45206 3.4792 2.91105 -38.3961 15.7677 -0.580489 14.3113 -6.78901 TIMING: 3740400 CPU: 10837.3, 0.00294154/step Wall: 10837.3, 0.00294155/step, 1.02921 hours remaining, 210.351562 MB of memory in use. ENERGY: 3740400 763.7665 2063.9523 1917.8599 110.4544 -206178.8743 17784.0411 0.0000 0.0000 34306.1874 -149232.6126 299.6045 -183538.8001 -149135.6535 299.2067 -115.2252 -84.2917 557846.6920 -5.9065 -5.8218 PRESSURE: 3740600 -57.0852 9.55665 -123.393 9.55729 58.9025 59.7232 -123.394 59.722 -46.7431 GPRESSURE: 3740600 -26.4631 38.4465 -131.172 -30.7694 101.528 54.4727 -66.9211 95.767 -21.3953 PRESSAVG: 3740600 31.6292 -52.8424 6.90717 -52.8424 -4.24104 16.0058 6.90723 16.0058 -56.3713 GPRESSAVG: 3740600 32.1207 -52.9699 3.4036 -55.5361 -3.96188 15.4417 9.06012 15.3013 -56.5093 TIMING: 3740600 CPU: 10837.9, 0.00288515/step Wall: 10837.9, 0.00288515/step, 1.00932 hours remaining, 210.351562 MB of memory in use. ENERGY: 3740600 742.1179 2077.6519 1956.1065 94.3087 -206389.7654 17957.3790 0.0000 0.0000 34404.4094 -149157.7920 300.4623 -183562.2015 -149060.4854 299.9018 -14.9752 17.8898 558657.6658 -9.6611 -9.4502 PRESSURE: 3740800 102.65 -32.6814 -86.1591 -32.6801 83.436 -84.6388 -86.1588 -84.6393 -78.8777 GPRESSURE: 3740800 115.931 -78.3814 -171.123 -34.4872 104.523 28.7377 -109.418 -140.79 -25.6877 PRESSAVG: 3740800 78.5028 -54.9948 7.31387 -54.9947 0.41771 -2.06994 7.3139 -2.0699 -60.4899 GPRESSAVG: 3740800 79.5459 -54.0616 9.45843 -55.2947 -1.28262 -0.181522 6.07491 -0.42783 -59.9261 TIMING: 3740800 CPU: 10838.5, 0.00287779/step Wall: 10838.5, 0.00287779/step, 1.00659 hours remaining, 210.351562 MB of memory in use. ENERGY: 3740800 729.8369 2022.4072 1968.8910 123.7991 -206426.5840 17968.2610 0.0000 0.0000 34265.3549 -149348.0340 299.2479 -183613.3888 -149255.0007 299.0165 35.7360 64.9222 557194.8302 6.1435 6.1124 PRESSURE: 3741000 -60.1356 42.5707 158.401 42.5702 -211.922 23.0561 158.401 23.0561 -284.964 GPRESSURE: 3741000 -26.5729 44.186 213.725 71.6288 -182.617 14.0078 131.601 39.015 -254.166 PRESSAVG: 3741000 11.3564 -51.3532 24.4532 -51.3533 28.5332 -1.37815 24.4533 -1.37806 16.0581 GPRESSAVG: 3741000 11.1444 -52.4256 23.3427 -50.2983 30.3422 -2.02687 25.634 -1.97208 14.8868 TIMING: 3741000 CPU: 10839.1, 0.00287006/step Wall: 10839.1, 0.00287006/step, 1.00372 hours remaining, 210.351562 MB of memory in use. ENERGY: 3741000 766.6667 2142.9763 1945.0352 115.2782 -205992.8393 17522.0014 0.0000 0.0000 34133.8001 -149367.0814 298.0990 -183500.8815 -149277.8122 298.6686 -185.6736 -154.4521 556708.2379 18.6492 18.7911 PRESSURE: 3741200 154.754 18.7973 23.3219 18.7982 91.3625 -225.35 23.3211 -225.351 -63.5763 GPRESSURE: 3741200 183.363 -27.2238 -12.5816 7.90935 162.006 -228.774 -23.48 -232.538 -56.6035 PRESSAVG: 3741200 61.3318 -27.6144 3.57245 -27.6144 -44.7474 -20.7429 3.57241 -20.743 -9.77181 GPRESSAVG: 3741200 59.5874 -27.9885 3.08378 -29.0327 -43.5043 -21.2954 1.79414 -22.2015 -9.16835 TIMING: 3741200 CPU: 10839.6, 0.00288845/step Wall: 10839.6, 0.00288845/step, 1.00999 hours remaining, 210.351562 MB of memory in use. ENERGY: 3741200 725.0657 2082.4123 1963.1200 105.6413 -206608.3852 18106.9344 0.0000 0.0000 34214.6817 -149410.5298 298.8053 -183625.2115 -149313.9344 298.7614 60.8469 96.2552 556788.8442 2.2708 2.3049 PRESSURE: 3741400 186.658 -4.99223 -117.352 -4.99221 5.96116 81.5738 -117.353 81.5727 -51.6366 GPRESSURE: 3741400 258.608 20.4336 -122.989 -58.9122 52.6295 58.2816 -107.968 133.068 -67.975 PRESSAVG: 3741400 29.1631 11.1468 -34.3212 11.1467 -6.786 -1.0807 -34.3211 -1.08073 16.259 GPRESSAVG: 3741400 29.9359 11.0791 -32.6769 14.1284 -8.18607 -0.565074 -34.1096 0.284903 16.8598 TIMING: 3741400 CPU: 10840.2, 0.00288122/step Wall: 10840.2, 0.00288122/step, 1.00731 hours remaining, 210.351562 MB of memory in use. ENERGY: 3741400 749.8495 2106.8072 1908.1888 120.0178 -206288.1718 17814.4087 0.0000 0.0000 34055.5200 -149533.3797 297.4153 -183588.8998 -149434.4099 298.5928 46.9941 81.0875 556815.2843 12.8787 12.8699 PRESSURE: 3741600 -235.907 35.1205 -6.85827 35.1218 -216.068 120.625 -6.8584 120.624 -20.8735 GPRESSURE: 3741600 -192.58 5.80679 15.1835 30.5271 -186.366 87.1133 26.4492 153.015 18.9458 PRESSAVG: 3741600 17.2241 42.3162 -45.6459 42.3162 -2.3151 -5.82207 -45.6458 -5.82206 -26.6776 GPRESSAVG: 3741600 17.2467 44.365 -46.6192 40.3287 -1.21076 -6.73565 -46.12 -3.15691 -27.3499 TIMING: 3741600 CPU: 10840.8, 0.00284828/step Wall: 10840.8, 0.00284828/step, 0.995633 hours remaining, 210.351562 MB of memory in use. ENERGY: 3741600 783.2408 2067.8086 1956.8274 106.2708 -206130.2613 17759.4741 0.0000 0.0000 34176.0581 -149280.5816 298.4680 -183456.6397 -149178.9125 299.3909 -157.6162 -120.0000 558263.7475 -3.9229 -3.7714 PRESSURE: 3741800 10.5134 93.9483 -83.2508 93.9477 -96.2669 -25.2764 -83.2507 -25.2747 -116.349 GPRESSURE: 3741800 15.8185 94.6552 -71.2079 108.524 -52.8344 -73.8991 -38.2836 -36.479 -74.2929 PRESSAVG: 3741800 28.6733 -41.3224 -32.3113 -41.3224 -15.518 8.4114 -32.3113 8.41139 -29.7121 GPRESSAVG: 3741800 28.1744 -44.6582 -33.6671 -39.5943 -15.3845 9.32235 -30.8741 5.88897 -29.9583 TIMING: 3741800 CPU: 10841.4, 0.00285328/step Wall: 10841.4, 0.00285328/step, 0.997223 hours remaining, 210.351562 MB of memory in use. ENERGY: 3741800 739.3078 2117.5733 1935.8831 111.5969 -206099.7137 17643.9213 0.0000 0.0000 34150.2589 -149401.1722 298.2427 -183551.4312 -149306.8348 298.5174 -67.3676 -37.1029 556769.1048 -5.5189 -5.7228 PRESSURE: 3742000 220.138 98.9291 -16.5355 98.9298 88.277 -152.519 -16.535 -152.518 161.626 GPRESSURE: 3742000 211.803 46.6181 -70.2929 117.126 194.631 -117.243 40.2148 -131.067 164.031 PRESSAVG: 3742000 38.0012 40.348 -15.892 40.348 43.3454 -13.2674 -15.8919 -13.2674 -17.464 GPRESSAVG: 3742000 38.1371 43.111 -13.6225 38.8003 43.04 -13.8853 -17.5851 -12.8661 -16.7851 TIMING: 3742000 CPU: 10841.9, 0.00286524/step Wall: 10841.9, 0.00286524/step, 1.00124 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3742000 754.3744 2143.6754 1969.3303 123.8565 -206686.8120 18066.0580 0.0000 0.0000 34161.5726 -149467.9449 298.3415 -183629.5174 -149368.8018 298.2521 156.6804 190.1550 557490.9250 21.2942 21.4640 PRESSURE: 3742200 -18.9124 -81.7557 -237.511 -81.756 80.4124 67.7823 -237.511 67.7821 31.939 GPRESSURE: 3742200 57.385 -91.8697 -305.648 -84.8983 105.209 84.1198 -140.618 27.9595 31.5568 PRESSAVG: 3742200 0.427944 10.8636 -27.5361 10.8637 -77.1408 -38.2011 -27.5361 -38.2011 49.2097 GPRESSAVG: 3742200 1.48419 10.2189 -29.444 9.75144 -77.3035 -38.1704 -24.8457 -36.7019 48.0466 TIMING: 3742200 CPU: 10842.5, 0.00286006/step Wall: 10842.5, 0.00286006/step, 0.999272 hours remaining, 210.351562 MB of memory in use. ENERGY: 3742200 759.1983 2093.9902 1957.3632 114.4592 -206283.8465 17789.0590 0.0000 0.0000 34174.4984 -149395.2783 298.4544 -183569.7767 -149295.2761 298.1648 31.1464 64.7169 557173.0309 -9.1677 -9.2576 PRESSURE: 3742400 342.272 49.119 -119.773 49.119 100.991 -1.29272 -119.773 -1.29202 132.759 GPRESSURE: 3742400 415.863 -44.492 -113.254 108.237 41.8374 -80.479 -55.3989 -76.3367 216.203 PRESSAVG: 3742400 -60.6793 18.541 -45.586 18.5409 -26.8316 -49.4491 -45.5861 -49.449 67.0122 GPRESSAVG: 3742400 -59.6025 16.0381 -45.0252 21.2537 -28.2741 -50.3027 -48.3956 -49.8163 66.9039 TIMING: 3742400 CPU: 10843.1, 0.00285745/step Wall: 10843.1, 0.00285745/step, 0.998201 hours remaining, 210.351562 MB of memory in use. ENERGY: 3742400 795.6119 2012.8253 1946.9439 111.4822 -206919.5528 18128.8921 0.0000 0.0000 34522.7295 -149401.0680 301.4956 -183923.7974 -149305.0224 298.8560 192.0075 224.6344 555274.5330 -6.8329 -6.9909 PRESSURE: 3742600 -50.6366 -24.2918 -116.867 -24.2932 96.5984 -14.9987 -116.868 -14.9972 -263.316 GPRESSURE: 3742600 -74.298 -19.7077 -93.6142 -11.7962 133.23 -35.0546 -132.691 -15.3678 -176.013 PRESSAVG: 3742600 -36.8678 -40.6517 -85.8358 -40.6517 14.4493 4.04955 -85.8358 4.04957 30.696 GPRESSAVG: 3742600 -37.9082 -37.6969 -84.7414 -41.7953 15.8538 4.03158 -86.0527 4.16264 30.6818 TIMING: 3742600 CPU: 10843.7, 0.00285079/step Wall: 10843.7, 0.00285079/step, 0.995717 hours remaining, 210.351562 MB of memory in use. ENERGY: 3742600 773.3179 2050.6353 1974.8910 115.8816 -206248.5880 17767.0679 0.0000 0.0000 34101.1650 -149465.6293 297.8140 -183566.7943 -149375.0985 299.1803 -72.4513 -39.0271 556026.7933 2.7591 2.8758 PRESSURE: 3742800 108.23 231.666 62.8485 231.665 -18.1581 180.366 62.8479 180.365 -161.899 GPRESSURE: 3742800 126.319 160.333 56.7252 284.878 48.4412 141.801 45.0666 136.704 -155.576 PRESSAVG: 3742800 9.61719 23.0213 -26.4175 23.0212 -99.7455 28.5922 -26.4175 28.5921 45.6542 GPRESSAVG: 3742800 9.83206 21.202 -27.4135 21.5732 -100.657 29.8241 -24.4181 27.387 45.99 TIMING: 3742800 CPU: 10844.2, 0.00286627/step Wall: 10844.2, 0.00286627/step, 1.00097 hours remaining, 210.351562 MB of memory in use. ENERGY: 3742800 753.8418 2120.9170 1946.5726 109.7894 -206428.5549 17736.7514 0.0000 0.0000 34382.5292 -149378.1535 300.2712 -183760.6827 -149284.9021 298.3473 -23.9422 6.3947 557309.8721 -14.8247 -14.9450 PRESSURE: 3743000 -111.603 92.0552 -142.077 92.0564 -346.409 219.337 -142.077 219.338 -217.818 GPRESSURE: 3743000 -144.884 191.592 -130.096 14.4796 -309.349 118.968 -79.5528 289.542 -135.808 PRESSAVG: 3743000 -30.5319 28.8971 -31.8059 28.8969 11.5277 -37.4695 -31.8059 -37.4696 17.4527 GPRESSAVG: 3743000 -31.3901 31.0361 -31.186 28.6936 13.0898 -38.5816 -31.0216 -37.3141 16.7869 TIMING: 3743000 CPU: 10844.8, 0.00287481/step Wall: 10844.8, 0.00287481/step, 1.00379 hours remaining, 210.351562 MB of memory in use. ENERGY: 3743000 743.2648 2089.6647 1955.5913 95.5900 -206082.6452 17679.4933 0.0000 0.0000 34189.1525 -149329.8886 298.5824 -183519.0411 -149227.7964 299.2674 -225.2766 -196.6805 559153.0373 -0.5172 -0.5044 PRESSURE: 3743200 -74.9406 57.2376 -186.779 57.2373 232.128 -133.586 -186.78 -133.587 137.61 GPRESSURE: 3743200 44.9823 -38.2884 -142.988 103.523 221.609 -123.75 -206.802 -93.9327 122.087 PRESSAVG: 3743200 -4.28396 -18.9041 -63.8878 -18.904 -15.7689 -0.789427 -63.8879 -0.789557 8.34022 GPRESSAVG: 3743200 -4.98745 -19.8755 -64.5248 -18.6185 -16.0242 -0.161723 -64.1692 -2.42854 9.42366 TIMING: 3743200 CPU: 10845.4, 0.0028756/step Wall: 10845.4, 0.0028756/step, 1.00391 hours remaining, 210.351562 MB of memory in use. ENERGY: 3743200 784.5139 2121.7857 1939.4489 118.0708 -206818.2244 18127.6174 0.0000 0.0000 34281.7724 -149445.0152 299.3912 -183726.7876 -149349.2467 299.1414 98.2659 129.5595 557229.2864 -3.9042 -3.8627 PRESSURE: 3743400 320.018 -3.88878 -305.325 -3.88975 70.3182 -83.6406 -305.325 -83.6414 0.10812 GPRESSURE: 3743400 312.054 98.9337 -257.967 -13.4216 124.853 -79.1251 -296.744 -35.5925 63.097 PRESSAVG: 3743400 18.1499 29.97 1.46344 29.9699 38.0437 -12.7343 1.46341 -12.7344 -13.216 GPRESSAVG: 3743400 20.7119 29.6254 2.69289 30.8238 36.1504 -12.6761 0.0620728 -11.4961 -13.1682 TIMING: 3743400 CPU: 10846, 0.00288464/step Wall: 10846, 0.00288464/step, 1.0069 hours remaining, 210.351562 MB of memory in use. ENERGY: 3743400 750.3933 2117.5643 1965.0361 104.7613 -206636.1350 17966.2648 0.0000 0.0000 34366.3785 -149365.7367 300.1301 -183732.1152 -149266.1946 299.6309 130.1482 166.6679 554998.8869 14.3258 14.5647 PRESSURE: 3743600 -142.688 -190.872 -43.5371 -190.871 -269.663 41.8358 -43.5375 41.8377 -58.1813 GPRESSURE: 3743600 -44.6227 -153.692 -62.7241 -174.325 -245.53 6.99313 42.4799 -3.68201 -80.3545 PRESSAVG: 3743600 -7.61633 34.3283 -21.1643 34.3282 1.51272 16.2276 -21.1644 16.2278 -27.9968 GPRESSAVG: 3743600 -8.56762 34.061 -22.6028 35.56 2.54419 16.1324 -20.3559 16.1546 -27.6288 TIMING: 3743600 CPU: 10846.5, 0.00286009/step Wall: 10846.5, 0.00286009/step, 0.998171 hours remaining, 210.351562 MB of memory in use. ENERGY: 3743600 753.4281 2097.2982 1961.3031 111.8255 -206073.0845 17493.5681 0.0000 0.0000 34273.9591 -149381.7025 299.3230 -183655.6615 -149275.3018 299.3165 -156.8441 -123.5024 555932.5685 -11.3668 -11.2174 PRESSURE: 3743800 51.8904 87.4296 38.6772 87.4291 -128.986 52.1422 38.678 52.1422 -128.543 GPRESSURE: 3743800 47.7603 136.408 10.3046 156.067 -97.3289 114.655 32.8138 -5.53165 -64.2843 PRESSAVG: 3743800 21.8274 -32.0187 -0.628008 -32.0187 -1.81999 27.1828 -0.627982 27.1829 34.0146 GPRESSAVG: 3743800 21.9031 -32.184 0.403227 -32.6455 -0.101723 27.5077 0.347463 28.0429 32.0954 TIMING: 3743800 CPU: 10847.1, 0.00286871/step Wall: 10847.1, 0.00286871/step, 1.00102 hours remaining, 210.351562 MB of memory in use. ENERGY: 3743800 794.3382 2104.6970 1946.1250 118.5558 -206116.5278 17673.0120 0.0000 0.0000 34038.4038 -149441.3960 297.2658 -183479.7999 -149343.7381 299.3916 -68.5462 -37.9510 556166.0925 18.0074 17.9656 PRESSURE: 3744000 124.769 59.9256 189.046 59.9271 218.334 30.999 189.047 30.9999 140.883 GPRESSURE: 3744000 184.374 96.9037 182.869 28.0231 260.234 51.0562 164.937 101.111 135.722 PRESSAVG: 3744000 -23.2727 -30.3132 -10.0625 -30.3131 -6.12263 15.2137 -10.0624 15.2137 39.6424 GPRESSAVG: 3744000 -23.5092 -28.4779 -10.3988 -32.6288 -7.35438 14.0679 -12.0649 15.4298 41.4069 TIMING: 3744000 CPU: 10847.7, 0.00286313/step Wall: 10847.7, 0.00286313/step, 0.998914 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3744000 741.3775 2072.8834 1943.3280 120.7696 -206917.2774 18030.7146 0.0000 0.0000 34284.4339 -149723.7703 299.4145 -184008.2042 -149627.5906 298.8433 161.3285 193.4437 555094.1511 3.4157 3.5144 PRESSURE: 3744200 -387.267 60.8037 -83.1865 60.8035 235.862 161.745 -83.1868 161.745 -206.659 GPRESSURE: 3744200 -320.955 15.4519 -68.2312 111.906 181.752 174.934 -109.824 61.1237 -122.813 PRESSAVG: 3744200 4.74904 52.5407 -2.65858 52.5407 -42.6192 15.3869 -2.65867 15.3869 2.67763 GPRESSAVG: 3744200 5.85325 50.3934 -2.05298 55.9927 -44.0885 18.0043 -3.6005 13.992 3.04949 TIMING: 3744200 CPU: 10848.2, 0.00286209/step Wall: 10848.2, 0.00286209/step, 0.998393 hours remaining, 210.351562 MB of memory in use. ENERGY: 3744200 767.2332 2133.1451 1928.0746 120.3312 -206694.6698 17822.6657 0.0000 0.0000 34278.8725 -149644.3476 299.3659 -183923.2201 -149540.7107 297.8950 -119.3547 -87.3385 557122.0810 -11.7309 -11.7286 LDB: ============= START OF LOAD BALANCING ============== 10851.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10851.6 LDB: =============== DONE WITH MIGRATION ================ 10851.6 LDB: ============= START OF LOAD BALANCING ============== 10851.9 LDB: Largest compute 4792 load 0.028247 is 23.9% of average load 0.118081 LDB: Average compute 0.001727 is 1.5% of average load 0.118081 LDB: TIME 10851.9 LOAD: AVG 0.118081 MAX 0.180925 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 10851.9 LOAD: AVG 0.118081 MAX 0.180925 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.633 MB LDB: TIME 10851.9 LOAD: AVG 0.118081 MAX 0.180925 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.633 MB LDB: ============== END OF LOAD BALANCING =============== 10851.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10851.9 PRESSURE: 3744400 236.731 107.881 -2.66672 107.882 -85.1217 101.571 -2.66654 101.571 215.901 GPRESSURE: 3744400 286.104 30.6458 -43.359 148.897 -69.2739 147.335 -7.27386 79.1354 248.203 PRESSAVG: 3744400 -50.3355 23.6231 -41.5422 23.623 4.09414 -23.24 -41.5423 -23.2401 3.88965 GPRESSAVG: 3744400 -51.5334 21.8697 -42.8493 23.2931 5.8625 -26.1079 -40.2602 -21.5034 3.09641 TIMING: 3744400 CPU: 10848.8, 0.00293104/step Wall: 10848.8, 0.00293104/step, 1.02228 hours remaining, 210.921875 MB of memory in use. ENERGY: 3744400 735.1730 2055.0709 1980.9197 108.9850 -206433.2555 17848.5647 0.0000 0.0000 34089.3566 -149615.1857 297.7108 -183704.5422 -149509.7749 298.7281 122.5033 155.0109 556381.1885 -14.1172 -14.1915 PRESSURE: 3744600 -196.124 -15.6768 15.747 -15.6754 -172.616 55.6749 15.7462 55.6767 138.556 GPRESSURE: 3744600 -129.218 -3.06181 -32.1071 -37.1269 -174.788 34.824 15.6602 85.2942 169.239 PRESSAVG: 3744600 16.5984 11.3231 -44.377 11.323 -54.3684 -24.1059 -44.3769 -24.1059 61.3364 GPRESSAVG: 3744600 17.7613 14.9062 -45.1039 10.0257 -55.733 -22.8917 -43.0937 -24.7415 61.722 TIMING: 3744600 CPU: 10849.4, 0.00288421/step Wall: 10849.4, 0.00288421/step, 1.00579 hours remaining, 211.125000 MB of memory in use. ENERGY: 3744600 783.0783 2046.7660 1937.4735 116.0641 -206529.3409 17907.9097 0.0000 0.0000 34163.7757 -149574.2736 298.3608 -183738.0493 -149475.8738 298.5368 -76.7278 -44.9222 556473.6217 7.8555 7.9168 PRESSURE: 3744800 -106.014 1.61572 -83.2741 1.61608 -425.288 -132.389 -83.2751 -132.388 48.0219 GPRESSURE: 3744800 -84.4783 -68.0543 -14.704 17.7587 -407.101 -239.972 -102.406 -48.1281 110.35 PRESSAVG: 3744800 -57.2178 -17.2368 -5.89696 -17.2368 -20.4854 -36.3998 -5.89701 -36.3999 18.6895 GPRESSAVG: 3744800 -58.3119 -19.3692 -4.85789 -18.1099 -18.6308 -35.2749 -4.84964 -35.9171 17.7942 TIMING: 3744800 CPU: 10850, 0.00287386/step Wall: 10850, 0.00287386/step, 1.00202 hours remaining, 211.125000 MB of memory in use. ENERGY: 3744800 744.0886 2080.6724 1924.7492 111.4753 -206252.6475 17682.5072 0.0000 0.0000 34203.0700 -149506.0849 298.7039 -183709.1548 -149404.1881 298.5510 -161.0933 -127.0766 558305.3401 -19.6712 -19.7162 PRESSURE: 3745000 -1.99561 -13.4625 -30.0042 -13.4629 20.6131 -24.033 -30.0032 -24.0331 -28.8626 GPRESSURE: 3745000 81.5199 -16.3246 -120.162 -55.7719 3.81311 -28.558 32.2321 -27.0049 3.57889 PRESSAVG: 3745000 10.5501 22.677 -10.5928 22.677 -20.7138 -2.50946 -10.5929 -2.50947 -8.56118 GPRESSAVG: 3745000 11.054 23.6157 -9.70769 21.3343 -21.0198 -4.06664 -12.3603 -2.71008 -8.78653 TIMING: 3745000 CPU: 10850.6, 0.00287168/step Wall: 10850.6, 0.00287168/step, 1.0011 hours remaining, 211.125000 MB of memory in use. ENERGY: 3745000 785.1636 2085.7293 1919.9534 109.6760 -206588.5993 17827.3284 0.0000 0.0000 34385.6661 -149475.0825 300.2986 -183860.7486 -149379.7602 298.8866 -3.4150 29.6373 556462.1757 -6.2416 -6.2508 PRESSURE: 3745200 -171.622 -61.2535 97.8261 -61.2526 -205.154 -80.3127 97.8266 -80.313 55.6243 GPRESSURE: 3745200 -187.637 -89.2758 21.6063 -117.889 -130.473 -122.653 85.824 3.31352 80.9406 PRESSAVG: 3745200 -18.2598 -15.1074 -7.95819 -15.1073 -16.086 38.5846 -7.95828 38.5846 17.9714 GPRESSAVG: 3745200 -17.8617 -14.9449 -8.55187 -15.3034 -16.0002 37.9835 -8.87154 38.3763 17.2443 TIMING: 3745200 CPU: 10851.1, 0.00285944/step Wall: 10851.1, 0.00285944/step, 0.996672 hours remaining, 211.125000 MB of memory in use. ENERGY: 3745200 714.5832 2063.5892 1958.8095 113.6089 -206246.4710 17574.5719 0.0000 0.0000 34331.8543 -149489.4539 299.8286 -183821.3082 -149397.1138 298.7893 -107.0504 -79.0561 555597.8580 -5.4582 -5.5392 PRESSURE: 3745400 123.58 -14.3544 6.1159 -14.3553 -219.162 -60.4772 6.11686 -60.4788 143.885 GPRESSURE: 3745400 190.333 -8.76825 70.2176 -2.55563 -172.015 -122.037 30.109 -1.46318 134.924 PRESSAVG: 3745400 -2.7132 22.9608 40.9518 22.961 -102.942 14.4239 40.9519 14.424 102.749 GPRESSAVG: 3745400 -2.60765 21.8583 41.1278 24.9568 -104.971 13.9567 41.0252 14.743 104.372 TIMING: 3745400 CPU: 10851.7, 0.00291102/step Wall: 10851.7, 0.00291102/step, 1.01449 hours remaining, 211.125000 MB of memory in use. ENERGY: 3745400 732.1887 2067.7820 1931.8592 116.2011 -206251.6552 17843.1446 0.0000 0.0000 34365.0218 -149195.4577 300.1183 -183560.4795 -149103.1417 298.6620 16.1010 51.0808 558306.4915 -0.9687 -1.0689 PRESSURE: 3745600 -29.5795 164.713 22.0019 164.713 165.356 89.2534 22.0034 89.2543 -188.497 GPRESSURE: 3745600 -3.22253 154.427 -42.399 214.832 203.52 63.0603 103.926 99.685 -149.416 PRESSAVG: 3745600 49.541 26.2924 -31.2094 26.2924 -49.3351 -17.2912 -31.2095 -17.2913 -8.32961 GPRESSAVG: 3745600 49.2677 26.8808 -32.1421 24.7248 -48.4976 -13.5596 -29.6567 -17.3513 -8.67399 TIMING: 3745600 CPU: 10852.3, 0.00289115/step Wall: 10852.3, 0.00289115/step, 1.00741 hours remaining, 211.125000 MB of memory in use. ENERGY: 3745600 755.4606 2112.6238 1973.1720 113.8098 -206336.3310 17842.8557 0.0000 0.0000 34241.1624 -149297.2467 299.0366 -183538.4090 -149189.3536 299.3045 -17.5733 16.9605 557828.7031 -2.7079 -2.6346 PRESSURE: 3745800 -76.5567 -11.4195 75.4705 -11.42 22.7356 36.583 75.4717 36.5818 -78.1896 GPRESSURE: 3745800 -56.5289 63.4918 -32.8236 -128.042 23.3946 109.579 164.979 19.0105 -6.32566 PRESSAVG: 3745800 115.44 75.204 3.4662 75.2039 -99.5238 -78.6546 3.46624 -78.6547 50.4866 GPRESSAVG: 3745800 115.077 76.2707 3.13863 74.965 -98.2015 -81.193 4.87347 -79.1794 49.5629 TIMING: 3745800 CPU: 10852.9, 0.00288177/step Wall: 10852.9, 0.00288177/step, 1.00398 hours remaining, 211.125000 MB of memory in use. ENERGY: 3745800 743.0319 2066.3222 1974.9756 113.3109 -206193.1019 17636.3217 0.0000 0.0000 34358.7362 -149300.4034 300.0634 -183659.1396 -149201.0013 299.0808 -44.0036 -13.1533 555503.3368 22.1344 22.1462 PRESSURE: 3746000 -51.3625 -130.558 29.2105 -130.558 -117.645 -87.1208 29.2101 -87.1221 28.6095 GPRESSURE: 3746000 -27.4281 -120.421 -31.4057 2.497 -55.3171 38.9846 98.7663 -142.922 39.4705 PRESSAVG: 3746000 2.10815 1.7079 24.9901 1.70788 -143.715 -3.00613 24.99 -3.00623 134.687 GPRESSAVG: 3746000 2.54465 2.00413 25.4994 2.31019 -145.656 -3.5284 22.3591 -1.48058 135.955 TIMING: 3746000 CPU: 10853.4, 0.00286842/step Wall: 10853.4, 0.00286842/step, 0.999165 hours remaining, 211.125000 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: 3746000 773.1172 2062.2788 1953.5684 128.9689 -206429.2126 17895.1197 0.0000 0.0000 34364.5482 -149251.6114 300.1141 -183616.1595 -149150.4176 299.9239 -46.7993 -14.4249 557439.8156 -2.3067 -2.3853 PRESSURE: 3746200 -257.949 -155.028 -264.205 -155.028 -107.231 -47.4335 -264.205 -47.434 127.387 GPRESSURE: 3746200 -214.466 -144.836 -258.619 -198.472 -38.4911 27.3226 -194.034 -80.7671 98.161 PRESSAVG: 3746200 25.369 -21.2475 -33.6281 -21.2476 -76.1713 -23.7865 -33.6281 -23.7866 24.4507 GPRESSAVG: 3746200 24.3114 -22.5497 -31.138 -19.8568 -74.5174 -22.9438 -34.0918 -25.2207 23.5847 TIMING: 3746200 CPU: 10854, 0.00289369/step Wall: 10854, 0.00289369/step, 1.00781 hours remaining, 211.125000 MB of memory in use. ENERGY: 3746200 752.7547 2076.8463 1897.9301 107.1140 -206117.2696 17831.6487 0.0000 0.0000 34251.4879 -149199.4878 299.1268 -183450.9757 -149110.0118 299.6428 -79.2645 -51.5986 558406.8513 -8.7839 -8.8738 PRESSURE: 3746400 -104.384 -69.486 -182.885 -69.4864 110.838 29.5012 -182.885 29.5026 11.3491 GPRESSURE: 3746400 -59.738 -69.6332 -123.596 -114.489 168.86 53.3383 -312.494 28.3751 -8.15114 PRESSAVG: 3746400 -49.8849 -34.4945 -15.2304 -34.4945 19.8551 -37.289 -15.2304 -37.2891 84.147 GPRESSAVG: 3746400 -50.2349 -34.3082 -17.905 -34.8822 19.2205 -38.3749 -15.3014 -36.7365 85.2494 TIMING: 3746400 CPU: 10854.6, 0.00287982/step Wall: 10854.6, 0.00287983/step, 1.00282 hours remaining, 211.328125 MB of memory in use. ENERGY: 3746400 696.7712 2048.9011 1945.7055 114.8990 -206292.5638 17777.5868 0.0000 0.0000 34413.4574 -149295.2428 300.5413 -183708.7002 -149203.3865 299.4713 5.9343 33.6568 558825.8964 18.0391 18.0783 PRESSURE: 3746600 -141.093 48.3125 -74.5479 48.3135 -128.778 -25.1039 -74.5475 -25.1028 -35.4255 GPRESSURE: 3746600 -100.204 46.3611 -130.821 -2.14208 -95.6436 -33.8884 -59.0058 77.9036 -12.5214 PRESSAVG: 3746600 55.9882 -14.034 -48.5546 -14.0338 -73.7884 -41.0834 -48.5546 -41.0834 -42.7925 GPRESSAVG: 3746600 57.7083 -14.1712 -48.1214 -12.7319 -75.2998 -38.5601 -47.3954 -39.4368 -43.5329 TIMING: 3746600 CPU: 10855.2, 0.00287591/step Wall: 10855.2, 0.00287591/step, 1.0013 hours remaining, 211.328125 MB of memory in use. ENERGY: 3746600 748.4573 2097.3218 1938.5683 98.9644 -206049.6574 17751.6245 0.0000 0.0000 34186.2109 -149228.5102 298.5567 -183414.7211 -149130.2335 298.7372 -101.7655 -69.4562 558554.9458 -20.1976 -20.3748 PRESSURE: 3746800 86.2906 -26.0332 -53.8866 -26.0327 326.888 155.387 -53.8877 155.386 -6.75116 GPRESSURE: 3746800 130.767 -41.3786 -30.6245 -59.1538 369.565 122.377 -42.6424 194.751 25.0754 PRESSAVG: 3746800 38.8134 -39.929 17.6566 -39.929 -7.4631 52.0245 17.6566 52.0244 -39.9221 GPRESSAVG: 3746800 36.9201 -38.1153 19.6519 -44.3665 -6.40908 51.1379 18.1894 52.3465 -38.9784 TIMING: 3746800 CPU: 10855.7, 0.00287804/step Wall: 10855.7, 0.00287804/step, 1.00188 hours remaining, 211.328125 MB of memory in use. ENERGY: 3746800 771.1341 2058.2940 1942.8426 121.1857 -206174.7856 17953.8491 0.0000 0.0000 34103.2746 -149224.2055 297.8324 -183327.4801 -149124.9437 298.5637 135.4759 175.1358 558004.6259 -2.8573 -2.8224 PRESSURE: 3747000 94.6617 68.4642 26.501 68.4632 -36.7693 68.0967 26.4994 68.0937 -47.719 GPRESSURE: 3747000 126.269 64.5458 113.644 29.4849 0.238397 51.4469 -6.29253 40.1978 -26.2051 PRESSAVG: 3747000 65.1531 -5.99075 -3.46964 -5.9907 -29.0016 -39.4592 -3.46968 -39.4592 -21.0226 GPRESSAVG: 3747000 65.5379 -6.7874 -1.6395 -2.57652 -28.4037 -38.1448 -6.81587 -43.7712 -21.7701 TIMING: 3747000 CPU: 10856.3, 0.00290266/step Wall: 10856.3, 0.00290266/step, 1.01029 hours remaining, 211.328125 MB of memory in use. ENERGY: 3747000 775.4154 2110.9315 1950.7779 106.6556 -206054.4400 17890.1689 0.0000 0.0000 34023.0119 -149197.4789 297.1314 -183220.4908 -149091.9926 298.4945 3.3911 33.4341 557632.4627 5.0430 5.1214 PRESSURE: 3747200 15.6828 -17.2599 63.3462 -17.2605 -105.1 -198.603 63.3448 -198.603 13.384 GPRESSURE: 3747200 49.7059 47.5337 73.2928 8.63681 -150.641 -238.825 28.6256 -185.054 115.251 PRESSAVG: 3747200 56.6693 -20.3722 58.0749 -20.3722 8.55369 -19.0644 58.075 -19.0642 -108.775 GPRESSAVG: 3747200 57.4294 -21.3094 53.0816 -20.1713 7.38368 -21.4299 62.4028 -16.3427 -108.802 TIMING: 3747200 CPU: 10856.9, 0.00289852/step Wall: 10856.9, 0.00289852/step, 1.00869 hours remaining, 211.328125 MB of memory in use. ENERGY: 3747200 711.8765 2083.2765 1967.7027 109.9996 -206220.0412 17740.6767 0.0000 0.0000 34314.3591 -149292.1501 299.6758 -183606.5091 -149200.5574 298.4430 -25.3443 4.7720 557926.6684 -14.5174 -14.6629 PRESSURE: 3747400 59.0845 -94.8526 -4.78924 -94.8539 -172.321 -308.773 -4.78966 -308.774 150.967 GPRESSURE: 3747400 163.634 -161.155 8.70651 -68.2312 -170.941 -302.166 47.7732 -299.387 154.934 PRESSAVG: 3747400 39.4247 -4.56452 11.6605 -4.56459 -18.1936 -44.7821 11.6605 -44.7822 -19.1195 GPRESSAVG: 3747400 38.157 -3.72882 15.1849 -6.24662 -17.4968 -42.5489 9.32242 -46.9814 -18.7056 TIMING: 3747400 CPU: 10857.5, 0.00287983/step Wall: 10857.5, 0.00287983/step, 1.00202 hours remaining, 211.328125 MB of memory in use. ENERGY: 3747400 729.0918 2138.4295 1959.1541 110.0372 -206099.5159 17783.2905 0.0000 0.0000 34158.6989 -149220.8139 298.3164 -183379.5128 -149126.1301 298.9194 12.5768 49.2091 557805.7371 0.7039 0.6516 PRESSURE: 3747600 212.593 4.54193 -24.759 4.54203 22.3586 195.733 -24.7583 195.732 115.628 GPRESSURE: 3747600 244.769 4.08289 -18.1277 -4.62375 39.3854 190.408 -69.9711 172.729 170.968 PRESSAVG: 3747600 44.6666 5.88522 -22.0045 5.88512 -22.3576 -4.48583 -22.0044 -4.48582 4.63397 GPRESSAVG: 3747600 43.8228 4.95416 -24.2292 6.07221 -20.8964 -6.79608 -20.8599 -1.4026 3.73322 TIMING: 3747600 CPU: 10858.1, 0.00288224/step Wall: 10858.1, 0.00288224/step, 1.0027 hours remaining, 211.328125 MB of memory in use. ENERGY: 3747600 739.8122 2138.3520 1973.8532 113.3321 -206612.6451 18121.7599 0.0000 0.0000 34232.6882 -149292.8475 298.9626 -183525.5357 -149199.1144 299.4532 116.8600 151.7075 557731.9171 8.9810 8.8865 PRESSURE: 3747800 -4.35149 80.2648 -78.225 80.2661 100.249 18.1781 -78.225 18.178 357.49 GPRESSURE: 3747800 40.4313 155.09 -65.0851 90.948 146.472 8.33951 -70.2254 44.693 360.379 PRESSAVG: 3747800 -32.6348 71.9941 -23.6559 71.994 49.8673 -11.9189 -23.6559 -11.9189 -5.96745 GPRESSAVG: 3747800 -30.8593 71.4498 -23.5095 71.6238 47.3717 -12.3243 -22.3154 -12.5068 -5.41568 TIMING: 3747800 CPU: 10858.6, 0.00287513/step Wall: 10858.6, 0.00287513/step, 1.00006 hours remaining, 211.328125 MB of memory in use. ENERGY: 3747800 735.2124 2082.1547 1979.0054 117.5632 -206883.1777 18176.9807 0.0000 0.0000 34522.2536 -149270.0076 301.4914 -183792.2612 -149170.2401 299.1198 151.1292 182.4276 557181.9080 3.7550 3.6989 PRESSURE: 3748000 -297.077 -38.3169 -12.1768 -38.316 21.565 -26.4044 -12.1757 -26.4033 -208 GPRESSURE: 3748000 -246.079 72.3275 -25.3312 -51.871 32.5707 26.7221 43.6124 -13.2118 -172.144 PRESSAVG: 3748000 36.5791 17.6989 -44.1042 17.6989 -23.5048 13.5779 -44.1043 13.5779 -8.69287 GPRESSAVG: 3748000 35.8247 17.9624 -44.0234 18.8978 -21.5703 15.6826 -44.3747 12.8489 -9.18217 TIMING: 3748000 CPU: 10859.2, 0.0028833/step Wall: 10859.2, 0.0028833/step, 1.00275 hours remaining, 211.328125 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: 3748000 773.4145 2131.3863 1964.8996 103.0802 -206514.1773 17796.3396 0.0000 0.0000 34438.4651 -149306.5920 300.7597 -183745.0571 -149209.4335 299.1715 -161.1710 -128.5506 558614.2811 1.4605 1.6907 PRESSURE: 3748200 73.3527 38.0506 29.6811 38.0503 20.3971 94.0256 29.6805 94.0276 -401.479 GPRESSURE: 3748200 114.597 62.2419 -15.1535 70.1987 52.0851 87.5038 29.2903 105.959 -378.338 PRESSAVG: 3748200 98.3069 6.37645 20.3335 6.37642 -15.9682 45.1403 20.3334 45.1403 -34.1977 GPRESSAVG: 3748200 97.7536 8.65563 20.4108 6.16401 -16.3249 45.5845 18.7401 43.4863 -33.2477 TIMING: 3748200 CPU: 10859.8, 0.00289367/step Wall: 10859.8, 0.00289367/step, 1.00619 hours remaining, 211.328125 MB of memory in use. ENERGY: 3748200 774.4195 2175.1900 1937.9153 110.5321 -206465.5579 17756.7850 0.0000 0.0000 34315.1899 -149395.5262 299.6831 -183710.7161 -149301.1902 299.4749 -102.5765 -70.5519 557984.0004 16.0470 16.0604 LDB: ============= START OF LOAD BALANCING ============== 10863.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10863.2 LDB: =============== DONE WITH MIGRATION ================ 10863.2 LDB: ============= START OF LOAD BALANCING ============== 10863.5 LDB: Largest compute 4792 load 0.027604 is 23.4% of average load 0.118098 LDB: Average compute 0.001727 is 1.5% of average load 0.118098 LDB: TIME 10863.5 LOAD: AVG 0.118098 MAX 0.178913 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.609 MB LDB: TIME 10863.5 LOAD: AVG 0.118098 MAX 0.178913 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.648 MB LDB: TIME 10863.5 LOAD: AVG 0.118098 MAX 0.178913 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.648 MB LDB: ============== END OF LOAD BALANCING =============== 10863.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10863.5 PRESSURE: 3748400 51.6552 69.7093 -93.7131 69.7085 6.11333 73.6589 -93.7127 73.661 -446.197 GPRESSURE: 3748400 81.9806 15.8022 -56.2502 140.679 23.3482 80.0639 -27.7017 53.1833 -401.815 PRESSAVG: 3748400 59.0327 -5.20818 13.3627 -5.2083 -42.7647 -30.9673 13.3628 -30.9672 -28.593 GPRESSAVG: 3748400 60.1478 -7.79588 14.6687 -3.63844 -43.299 -33.3952 13.7075 -30.306 -29.6932 TIMING: 3748400 CPU: 10860.4, 0.00292986/step Wall: 10860.4, 0.00292986/step, 1.01861 hours remaining, 210.414062 MB of memory in use. ENERGY: 3748400 774.5143 2080.9511 1972.2349 102.7505 -206135.2012 17660.5206 0.0000 0.0000 34226.7665 -149317.4631 298.9109 -183544.2297 -149212.3944 298.6375 -129.4762 -98.8287 559123.2016 -4.1084 -4.2815 PRESSURE: 3748600 -85.0274 33.666 74.2289 33.6657 -114.645 16.7724 74.2293 16.7748 -328.209 GPRESSURE: 3748600 -48.9266 32.8398 113.882 55.2504 -102.767 65.994 57.3629 -86.351 -279.927 PRESSAVG: 3748600 43.5468 24.1384 -4.51393 24.1385 -60.7134 -54.6942 -4.51402 -54.6943 -7.75455 GPRESSAVG: 3748600 43.5248 24.741 -4.00951 22.4295 -60.0183 -53.0296 -4.24776 -53.641 -8.35786 TIMING: 3748600 CPU: 10860.9, 0.00286107/step Wall: 10860.9, 0.00286107/step, 0.99454 hours remaining, 210.414062 MB of memory in use. ENERGY: 3748600 785.5960 2105.4922 1949.5200 107.3802 -206058.6158 17654.4847 0.0000 0.0000 34190.1889 -149265.9538 298.5914 -183456.1427 -149171.9221 298.9889 -175.9602 -143.8737 557632.5977 -8.3071 -8.2838 PRESSURE: 3748800 134.593 31.9279 -51.2674 31.9289 220.311 -55.4672 -51.2683 -55.466 142.823 GPRESSURE: 3748800 171.876 101.39 47.5213 25.9265 238.733 -19.0671 -14.9068 -82.9758 201.961 PRESSAVG: 3748800 -4.81797 30.3338 54.1196 30.3338 39.6643 -54.5221 54.1196 -54.522 -11.8362 GPRESSAVG: 3748800 -6.56984 32.249 52.3319 31.2177 40.498 -58.0851 55.3149 -52.2253 -11.0315 TIMING: 3748800 CPU: 10861.5, 0.00286794/step Wall: 10861.5, 0.00286794/step, 0.996768 hours remaining, 210.414062 MB of memory in use. ENERGY: 3748800 750.5053 2099.4735 1968.4706 115.3796 -206676.4218 18176.0382 0.0000 0.0000 34218.1355 -149348.4192 298.8355 -183566.5547 -149253.2179 298.4157 165.9088 204.1899 556617.2613 7.6701 7.6322 PRESSURE: 3749000 -202.106 27.381 -8.99979 27.3799 -103.748 -86.8915 -9.00048 -86.8925 -33.5986 GPRESSURE: 3749000 -154.676 110.426 -8.56971 61.2324 -94.6052 -155.725 3.55338 11.7252 12.4611 PRESSAVG: 3749000 19.1498 15.1867 9.37559 15.1867 -32.2624 -24.7498 9.3757 -24.7498 26.8382 GPRESSAVG: 3749000 18.4496 14.0198 10.5822 14.6056 -32.4763 -23.0701 8.5402 -25.4728 27.7051 TIMING: 3749000 CPU: 10862.1, 0.00290349/step Wall: 10862.1, 0.00290349/step, 1.00896 hours remaining, 210.414062 MB of memory in use. ENERGY: 3749000 770.4865 2151.4964 1934.3256 110.2985 -206157.5168 17740.3266 0.0000 0.0000 34252.3654 -149198.2178 299.1344 -183450.5831 -149099.8546 299.0802 -113.1510 -78.9400 557682.8509 4.5752 4.5595 PRESSURE: 3749200 -255.861 141.053 129.791 141.053 -18.2533 -69.7124 129.79 -69.7106 -225.576 GPRESSURE: 3749200 -218.363 163.336 120.457 145.241 -46.4486 13.7338 106.525 -183.564 -152.292 PRESSAVG: 3749200 39.4965 50.9667 46.6225 50.9668 -63.2322 1.65337 46.6223 1.65343 11.9729 GPRESSAVG: 3749200 42.1478 49.7265 45.5972 52.828 -63.9765 3.55789 47.0622 -0.464154 10.2427 TIMING: 3749200 CPU: 10862.7, 0.00288246/step Wall: 10862.7, 0.00288246/step, 1.00149 hours remaining, 210.414062 MB of memory in use. ENERGY: 3749200 748.0314 2105.8824 1966.5885 118.9472 -206198.5055 17601.9219 0.0000 0.0000 34357.0710 -149300.0632 300.0488 -183657.1341 -149204.8930 299.9348 -166.5633 -139.0345 557049.9809 -3.9209 -3.8620 PRESSURE: 3749400 -106.668 31.7443 67.2443 31.7436 226.09 166.9 67.2436 166.9 90.8715 GPRESSURE: 3749400 -50.8157 110.064 60.7805 -64.5343 304.623 194.075 99.6083 187.184 57.7323 PRESSAVG: 3749400 -3.74994 18.8521 9.06092 18.852 -2.89103 -60.0043 9.06089 -60.0042 -29.9672 GPRESSAVG: 3749400 -4.96972 19.9519 11.7918 17.8144 -1.50855 -60.0626 7.64036 -59.1339 -29.9799 TIMING: 3749400 CPU: 10863.3, 0.00288654/step Wall: 10863.3, 0.00288654/step, 1.00275 hours remaining, 210.414062 MB of memory in use. ENERGY: 3749400 763.8903 2158.4559 1968.0796 120.8031 -206789.6697 18092.7150 0.0000 0.0000 34419.3920 -149266.3339 300.5931 -183685.7259 -149173.5041 299.5431 70.0979 103.8466 556851.9901 -12.2027 -12.1527 PRESSURE: 3749600 -90.8921 28.7364 -87.1007 28.7368 -301.386 18.643 -87.1011 18.643 -164.284 GPRESSURE: 3749600 -64.391 71.5329 -251.996 -63.2681 -290.103 131.021 -49.1551 -73.129 -111.539 PRESSAVG: 3749600 -8.6646 -9.80831 2.74299 -9.80843 3.10254 -1.0422 2.74303 -1.04227 -14.5998 GPRESSAVG: 3749600 -7.25868 -10.8198 -0.0750397 -8.23232 1.78295 -2.87685 4.66752 -0.888753 -14.3538 TIMING: 3749600 CPU: 10863.8, 0.00288022/step Wall: 10863.8, 0.00288022/step, 1.0004 hours remaining, 210.414062 MB of memory in use. ENERGY: 3749600 768.0886 2151.3227 1978.3868 122.3388 -206157.6509 17619.7143 0.0000 0.0000 34159.5709 -149358.2287 298.3240 -183517.7996 -149263.3401 300.0301 -185.5207 -155.3445 556716.5892 -6.7206 -6.6098 PRESSURE: 3749800 22.5383 120.536 57.9577 120.537 40.1432 -31.3416 57.9568 -31.341 -161.026 GPRESSURE: 3749800 1.13335 157.033 97.5132 121.33 69.0712 -93.2029 33.7018 -79.2879 -65.231 PRESSAVG: 3749800 -27.3607 -26.1942 -41.2091 -26.1941 10.6861 -17.9668 -41.209 -17.9669 -1.49417 GPRESSAVG: 3749800 -28.4091 -25.4098 -37.7254 -25.6232 11.3113 -17.0239 -43.3415 -19.0605 -0.752645 TIMING: 3749800 CPU: 10864.4, 0.00285996/step Wall: 10864.4, 0.00285996/step, 0.993201 hours remaining, 210.414062 MB of memory in use. ENERGY: 3749800 773.2067 2155.5674 1961.8233 120.0010 -206167.9398 17736.4928 0.0000 0.0000 33983.5172 -149437.3314 296.7865 -183420.8486 -149339.6660 298.6842 -32.7814 1.6578 557524.7865 -6.0563 -5.9502 PRESSURE: 3750000 88.4321 181.092 -51.8993 181.091 299.415 -152.155 -51.8995 -152.155 -13.2188 GPRESSURE: 3750000 163.636 254.735 82.6383 158.378 301.509 -185.772 -117.317 -84.0393 0.29925 PRESSAVG: 3750000 -5.29436 36.1122 -30.6557 36.1121 21.9228 -28.7885 -30.6557 -28.7886 -15.8306 GPRESSAVG: 3750000 -4.94939 36.7138 -32.5668 33.8645 21.0472 -28.2003 -30.0988 -28.7058 -15.5816 TIMING: 3750000 CPU: 10865, 0.00288516/step Wall: 10865, 0.00288516/step, 1.00179 hours remaining, 210.414062 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: 3750000 711.0220 2127.9692 1959.8247 115.1737 -206713.3748 18110.2385 0.0000 0.0000 34120.9043 -149568.2424 297.9863 -183689.1467 -149471.2157 298.1765 124.8761 155.1481 557093.2866 0.2659 0.1721 PRESSURE: 3750200 145.309 14.1026 -0.0901415 14.1025 80.5855 -49.0391 -0.0904863 -49.0382 79.5531 GPRESSURE: 3750200 170.901 21.8954 -1.66863 -84.325 163.107 -83.5107 -80.9211 -19.3433 58.9146 PRESSAVG: 3750200 4.59695 22.6792 -64.1358 22.6791 -35.442 -20.2354 -64.1357 -20.2353 30.644 GPRESSAVG: 3750200 5.0333 20.6714 -62.407 25.8733 -34.8928 -21.2452 -63.8159 -19.0973 30.339 TIMING: 3750200 CPU: 10865.6, 0.00287645/step Wall: 10865.6, 0.00287645/step, 0.998608 hours remaining, 210.414062 MB of memory in use. ENERGY: 3750200 726.2583 2076.6006 1945.6290 121.4722 -206253.8472 17957.9736 0.0000 0.0000 34042.9229 -149382.9907 297.3053 -183425.9136 -149282.6323 298.3808 101.8158 130.9742 558241.5573 -0.0670 0.1598 PRESSURE: 3750400 368.247 -22.7306 -26.3813 -22.7303 13.1624 -27.5992 -26.3814 -27.6016 278.056 GPRESSURE: 3750400 419.53 -87.8898 -43.8651 -0.936985 83.1499 -113.265 -20.8893 -7.67434 274.027 PRESSAVG: 3750400 56.6847 0.552519 -26.4784 0.552557 -10.3255 -32.449 -26.4783 -32.4492 -6.2415 GPRESSAVG: 3750400 57.553 2.15762 -29.1884 -0.891878 -10.158 -31.4623 -23.9518 -33.2891 -7.30285 TIMING: 3750400 CPU: 10866.1, 0.00286007/step Wall: 10866.1, 0.00286007/step, 0.992762 hours remaining, 210.414062 MB of memory in use. ENERGY: 3750400 691.7596 2049.9326 1947.3731 142.7704 -206783.1078 18182.0676 0.0000 0.0000 34282.9247 -149486.2798 299.4013 -183769.2045 -149384.4581 299.1068 219.8218 258.9023 557250.5228 13.3726 13.3641 PRESSURE: 3750600 88.0185 52.27 -26.6529 52.2694 -194.159 152.206 -26.6526 152.206 -101.177 GPRESSURE: 3750600 105.517 77.7765 -97.4514 51.2889 -153.974 179.517 -37.1 140.819 -62.1826 PRESSAVG: 3750600 23.9564 42.8061 -20.1235 42.8062 0.27298 15.4312 -20.1235 15.4312 9.84141 GPRESSAVG: 3750600 23.0575 42.3287 -20.6043 42.1594 -0.508622 17.5536 -22.3931 13.3905 11.5007 TIMING: 3750600 CPU: 10866.7, 0.00287039/step Wall: 10866.7, 0.00287039/step, 0.996186 hours remaining, 210.414062 MB of memory in use. ENERGY: 3750600 750.7781 2143.4069 1944.1237 112.4282 -206434.9820 17732.9618 0.0000 0.0000 34157.7651 -149593.5180 298.3083 -183751.2831 -149494.4520 298.4999 -69.1056 -36.8799 558267.6971 11.3569 11.3499 PRESSURE: 3750800 -44.7457 -93.6887 57.9375 -93.6893 -70.8901 -22.1818 57.9374 -22.1811 209.935 GPRESSURE: 3750800 -32.61 -55.9403 -35.3164 -60.1928 -44.3683 -54.0932 57.5181 -21.3873 270.947 PRESSAVG: 3750800 45.6597 18.5318 -17.4122 18.5318 -37.5389 1.66785 -17.4123 1.66785 -35.83 GPRESSAVG: 3750800 45.5901 18.164 -17.4435 19.7555 -37.3521 -0.324323 -16.2955 4.29324 -35.6412 TIMING: 3750800 CPU: 10867.3, 0.00288605/step Wall: 10867.3, 0.00288605/step, 1.00146 hours remaining, 210.414062 MB of memory in use. ENERGY: 3750800 730.7128 2115.0765 1964.0674 111.2881 -206746.8997 17952.2581 0.0000 0.0000 34349.4106 -149524.0863 299.9819 -183873.4969 -149423.9553 297.7588 31.4330 64.6563 557706.0253 -9.2364 -9.1344 PRESSURE: 3751000 -126.183 55.2114 -14.7095 55.2116 -206.282 -31.5367 -14.7084 -31.537 -211.297 GPRESSURE: 3751000 -91.7738 70.3591 -2.21724 34.0807 -185.603 -169.835 -68.5602 23.8517 -169.286 PRESSAVG: 3751000 15.7774 27.8742 -44.7936 27.8742 -35.5987 -4.77239 -44.7936 -4.77245 18.8171 GPRESSAVG: 3751000 16.0253 29.7303 -43.8658 26.6542 -35.2524 -4.1728 -44.3643 -4.96773 18.4252 TIMING: 3751000 CPU: 10867.9, 0.00288505/step Wall: 10867.9, 0.00288505/step, 1.00095 hours remaining, 210.414062 MB of memory in use. ENERGY: 3751000 729.2994 2075.8874 1963.6834 112.1420 -206068.4836 17484.7028 0.0000 0.0000 34194.1238 -149508.6448 298.6258 -183702.7686 -149413.3246 298.9373 -181.2541 -148.8878 557393.7463 -0.3348 -0.2673 PRESSURE: 3751200 -69.3125 155.889 -41.307 155.889 -84.7093 7.4063 -41.3075 7.40729 218.029 GPRESSURE: 3751200 -29.2928 198.71 23.9752 70.6564 -40.4827 76.8662 -59.0517 24.6759 224.812 PRESSAVG: 3751200 -5.90214 67.7464 -19.3281 67.7464 -12.9898 32.3375 -19.328 32.3375 -18.5565 GPRESSAVG: 3751200 -6.56156 64.3428 -20.1532 67.777 -13.5171 31.3352 -20.0808 33.3234 -17.5029 TIMING: 3751200 CPU: 10868.4, 0.00289074/step Wall: 10868.4, 0.00289074/step, 1.00276 hours remaining, 210.414062 MB of memory in use. ENERGY: 3751200 724.5102 2057.1469 1931.4799 105.6791 -206182.2712 17866.5232 0.0000 0.0000 34051.5305 -149445.4012 297.3805 -183496.9318 -149349.4801 298.2235 21.3358 51.6788 556424.1688 -12.4828 -12.5272 PRESSURE: 3751400 21.4939 -19.1001 241.18 -19.1004 62.0656 40.0606 241.179 40.0632 -136.189 GPRESSURE: 3751400 52.3551 -48.4715 233.25 -24.2304 71.4804 12.6941 178.133 36.4038 -80.2103 PRESSAVG: 3751400 -5.61391 -26.3465 23.5423 -26.3464 -37.7862 -12.0417 23.5422 -12.0417 22.7195 GPRESSAVG: 3751400 -5.29152 -21.5801 23.3193 -28.4754 -37.8445 -9.8711 23.219 -13.6472 22.5375 TIMING: 3751400 CPU: 10869, 0.00287382/step Wall: 10869, 0.00287382/step, 0.996737 hours remaining, 210.414062 MB of memory in use. ENERGY: 3751400 738.7771 2127.7595 1967.7730 110.4019 -206295.9158 17715.2578 0.0000 0.0000 34246.7958 -149389.1508 299.0858 -183635.9466 -149293.1374 299.6924 -17.5433 14.5418 556798.2001 -6.8935 -6.8662 PRESSURE: 3751600 125.049 -185.772 -76.6041 -185.772 221.087 -57.9428 -76.6046 -57.9421 -33.0499 GPRESSURE: 3751600 135.516 -151.918 -131.022 -187.184 274.411 -33.4551 -78.6055 -108.603 4.20989 PRESSAVG: 3751600 59.7226 -18.6243 61.1125 -18.6243 6.52745 -39.0861 61.1126 -39.0863 -34.9029 GPRESSAVG: 3751600 59.9982 -18.9475 61.8535 -17.3043 8.08196 -40.8815 61.9531 -40.6702 -36.4305 TIMING: 3751600 CPU: 10869.6, 0.00288849/step Wall: 10869.6, 0.00288849/step, 1.00167 hours remaining, 210.414062 MB of memory in use. ENERGY: 3751600 749.3682 2035.6531 1959.8612 117.0641 -206470.3268 17945.9110 0.0000 0.0000 34309.2379 -149353.2313 299.6311 -183662.4692 -149257.5279 299.4269 104.3619 138.0456 558598.6540 10.4490 10.5499 PRESSURE: 3751800 91.8481 25.8358 13.388 25.8346 209.041 59.8205 13.388 59.82 -218.827 GPRESSURE: 3751800 82.6546 18.582 -20.6712 50.0861 224.741 93.2745 5.6614 130.293 -126.01 PRESSAVG: 3751800 -86.6743 -26.7447 17.3602 -26.7447 44.8124 45.7144 17.3602 45.7145 -6.10801 GPRESSAVG: 3751800 -87.2973 -27.2307 15.9642 -27.5191 45.1914 44.8951 16.8152 47.7979 -5.52698 TIMING: 3751800 CPU: 10870.2, 0.00287926/step Wall: 10870.2, 0.00287926/step, 0.998302 hours remaining, 210.414062 MB of memory in use. ENERGY: 3751800 749.2887 2089.6582 1987.5727 131.9243 -206478.4487 17967.1114 0.0000 0.0000 34136.7408 -149416.1525 298.1246 -183552.8933 -149327.7834 298.6827 27.3539 60.4616 556814.0986 -15.9900 -15.8776 PRESSURE: 3752000 -112.733 79.404 -53.5746 79.4043 -57.1128 36.0332 -53.5754 36.0328 107.785 GPRESSURE: 3752000 -45.7612 54.0887 -44.5811 17.4472 -47.9165 -19.0574 -104.296 68.7801 128.226 PRESSAVG: 3752000 4.20708 -41.8156 52.4685 -41.8156 8.48153 47.3613 52.4685 47.3613 -2.83743 GPRESSAVG: 3752000 5.22404 -43.193 54.2397 -42.1914 6.71573 49.0428 51.1667 45.9938 -2.771 TIMING: 3752000 CPU: 10870.7, 0.00288948/step Wall: 10870.7, 0.00288948/step, 1.00169 hours remaining, 210.414062 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: 3752000 761.5816 2077.7414 1972.3165 123.2863 -206290.6086 17922.7482 0.0000 0.0000 34199.8688 -149233.0657 298.6760 -183432.9345 -149140.6579 298.3655 -20.6867 11.5160 557438.2737 3.2837 3.0563 PRESSURE: 3752200 152.114 -123.544 5.60234 -123.544 -25.5205 2.50558 5.60329 2.50348 -58.6804 GPRESSURE: 3752200 219.016 -133.106 74.0952 -140.653 -35.7408 -28.2068 -116.969 68.5505 -29.3957 PRESSAVG: 3752200 28.5494 -1.02053 -15.7709 -1.02061 6.24174 8.41936 -15.7711 8.41932 -31.5471 GPRESSAVG: 3752200 27.5314 -0.950531 -16.3141 0.355528 6.57648 5.89221 -14.1822 10.1475 -30.4182 TIMING: 3752200 CPU: 10871.3, 0.00287635/step Wall: 10871.3, 0.00287635/step, 0.996975 hours remaining, 210.414062 MB of memory in use. ENERGY: 3752200 735.9388 2117.2619 1962.3193 110.4577 -206423.9402 17839.4241 0.0000 0.0000 34520.8035 -149137.7350 301.4788 -183658.5384 -149046.5112 299.7794 22.6376 51.2931 555563.0685 1.0813 1.2299 LDB: ============= START OF LOAD BALANCING ============== 10874.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10874.7 LDB: =============== DONE WITH MIGRATION ================ 10874.7 LDB: ============= START OF LOAD BALANCING ============== 10875 LDB: Largest compute 4792 load 0.025443 is 21.6% of average load 0.117951 LDB: Average compute 0.001728 is 1.5% of average load 0.117951 LDB: TIME 10875 LOAD: AVG 0.117951 MAX 0.178833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 10875 LOAD: AVG 0.117951 MAX 0.178833 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: TIME 10875 LOAD: AVG 0.117951 MAX 0.178833 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: ============== END OF LOAD BALANCING =============== 10875 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10875 PRESSURE: 3752400 29.7634 -83.5577 137.786 -83.5582 -26.9622 3.26855 137.786 3.26877 79.8498 GPRESSURE: 3752400 10.5913 -93.8969 116.408 -140.397 48.9163 86.7401 237.324 76.7278 137.67 PRESSAVG: 3752400 -10.261 -27.1216 10.3005 -27.1216 39.2985 17.7083 10.3006 17.7084 -28.4466 GPRESSAVG: 3752400 -9.6164 -25.8929 9.62089 -27.6284 39.099 20.2074 8.87377 16.3896 -28.8932 TIMING: 3752400 CPU: 10871.9, 0.00293211/step Wall: 10871.9, 0.00293211/step, 1.01614 hours remaining, 211.437500 MB of memory in use. ENERGY: 3752400 756.4283 2090.4467 1950.3971 116.6513 -206525.3476 18069.2540 0.0000 0.0000 34327.1071 -149215.0630 299.7872 -183542.1701 -149117.9153 299.6603 27.5503 65.7259 556432.5380 0.1970 0.1965 PRESSURE: 3752600 -8.80059 -31.1618 -94.6403 -31.1601 35.241 -9.59964 -94.6409 -9.59905 -255.473 GPRESSURE: 3752600 2.42021 -22.1325 -110.971 -66.5322 53.2836 -5.96301 -92.8701 -20.2093 -191.524 PRESSAVG: 3752600 37.0768 -36.5228 9.16993 -36.5228 -54.6818 43.2775 9.16998 43.2774 47.963 GPRESSAVG: 3752600 37.7067 -36.1274 10.9076 -35.4729 -54.8312 42.096 11.1997 41.8705 47.4769 TIMING: 3752600 CPU: 10872.5, 0.00287045/step Wall: 10872.5, 0.00287045/step, 0.994613 hours remaining, 211.437500 MB of memory in use. ENERGY: 3752600 767.6100 2070.4668 1929.2107 120.4782 -206331.3283 17950.6664 0.0000 0.0000 34360.0697 -149132.8265 300.0750 -183492.8962 -149032.6498 299.9456 -76.3441 -45.2734 557929.1561 10.1193 10.1175 PRESSURE: 3752800 261.573 103.648 -35.8824 103.649 172.027 109.692 -35.8815 109.692 -126.782 GPRESSURE: 3752800 290.653 108.558 -46.6878 108.844 161.359 93.0004 -54.3555 137.321 -50.8669 PRESSAVG: 3752800 -4.77235 -26.5308 35.4985 -26.5307 10.2153 35.5051 35.4986 35.5051 -1.47848 GPRESSAVG: 3752800 -5.05013 -27.9317 34.0077 -28.0689 10.8478 36.9796 35.2505 34.8284 -1.58949 TIMING: 3752800 CPU: 10873, 0.00284957/step Wall: 10873, 0.00284957/step, 0.987217 hours remaining, 211.437500 MB of memory in use. ENERGY: 3752800 766.7754 2155.3796 1935.2578 114.3031 -206470.2580 18067.8740 0.0000 0.0000 34284.4137 -149146.2542 299.4143 -183430.6680 -149044.0976 300.0206 102.2726 133.7150 556532.0569 1.3215 1.4027 PRESSURE: 3753000 125.557 -33.8061 27.4062 -33.8045 0.998747 40.918 27.4062 40.917 189.355 GPRESSURE: 3753000 142.582 -170.351 74.419 40.5159 -1.07374 -30.5761 -14.9853 69.9645 272.743 PRESSAVG: 3753000 70.6956 -54.6406 -28.7304 -54.6406 -46.7053 37.2884 -28.7304 37.2884 -36.7015 GPRESSAVG: 3753000 70.4544 -52.5628 -29.6604 -52.6312 -46.7437 35.4714 -30.6419 40.2994 -36.2204 TIMING: 3753000 CPU: 10873.6, 0.00289365/step Wall: 10873.6, 0.00289365/step, 1.00233 hours remaining, 211.437500 MB of memory in use. ENERGY: 3753000 744.4425 2133.4326 1936.4184 118.5193 -206594.1548 17951.2462 0.0000 0.0000 34435.1760 -149274.9196 300.7310 -183710.0956 -149181.4104 299.1376 105.3033 138.0835 557056.5369 -4.2371 -4.1699 PRESSURE: 3753200 -86.7186 90.5595 -20.9494 90.5593 -322.762 -166.577 -20.9497 -166.578 -75.9552 GPRESSURE: 3753200 -36.1413 151.104 -67.2869 96.5453 -290.448 -151.287 0.991975 -78.6856 -54.8804 PRESSAVG: 3753200 22.5329 -24.0261 -36.6093 -24.026 71.0332 -2.83754 -36.6093 -2.83751 -37.8546 GPRESSAVG: 3753200 23.262 -26.6409 -35.2031 -24.842 71.0434 -1.13434 -35.4878 -1.81138 -38.3148 TIMING: 3753200 CPU: 10874.2, 0.00288392/step Wall: 10874.2, 0.00288392/step, 0.998797 hours remaining, 211.437500 MB of memory in use. ENERGY: 3753200 781.5265 2111.7722 1935.4732 116.7906 -205943.0624 17464.9023 0.0000 0.0000 34271.3955 -149261.2021 299.3006 -183532.5977 -149168.2073 299.6901 -161.8121 -127.1566 556201.0005 18.5705 18.6635 PRESSURE: 3753400 -66.1409 -83.9091 -44.7846 -83.9107 77.8242 115.637 -44.7858 115.637 102.813 GPRESSURE: 3753400 -33.7212 -34.8982 -36.7728 -77.57 117.403 174.389 -182.204 93.4453 139.389 PRESSAVG: 3753400 -47.8972 -1.64582 -18.4319 -1.64584 21.2843 -24.4518 -18.4318 -24.4517 20.9989 GPRESSAVG: 3753400 -47.9416 -0.336998 -18.3581 -1.92493 21.4029 -24.1908 -18.4264 -25.2696 21.026 TIMING: 3753400 CPU: 10874.8, 0.00287375/step Wall: 10874.8, 0.00287376/step, 0.995118 hours remaining, 211.437500 MB of memory in use. ENERGY: 3753400 768.1305 2125.4889 1934.2529 125.3142 -206532.7448 17956.2599 0.0000 0.0000 34283.5438 -149339.7545 299.4067 -183623.2983 -149239.6390 299.5702 38.1654 74.3567 555946.1474 -1.8713 -1.8376 PRESSURE: 3753600 147.77 232.743 -108.613 232.741 -57.9013 17.2819 -108.612 17.2809 0.659309 GPRESSURE: 3753600 172.273 225.928 -165.618 236.395 -0.249109 -37.7948 -118.332 87.803 14.9942 PRESSAVG: 3753600 6.06152 19.0653 12.7067 19.0653 2.11425 17.6392 12.7067 17.6392 9.61714 GPRESSAVG: 3753600 6.7462 19.7754 13.3356 16.3766 1.16861 17.2277 13.2352 15.6224 10.0296 TIMING: 3753600 CPU: 10875.4, 0.00288816/step Wall: 10875.4, 0.00288816/step, 0.999944 hours remaining, 211.437500 MB of memory in use. ENERGY: 3753600 737.5124 2140.9672 1921.2521 111.9624 -206460.2522 17757.0751 0.0000 0.0000 34300.1498 -149491.3332 299.5517 -183791.4830 -149393.5127 299.3618 30.1760 62.3395 554701.4090 5.9310 5.9815 PRESSURE: 3753800 112.853 -63.5642 14.6748 -63.563 2.52266 85.1009 14.6742 85.1004 -201.67 GPRESSURE: 3753800 175.508 -69.5371 51.9761 40.411 -46.6218 60.9101 -56.7475 94.1062 -122.038 PRESSAVG: 3753800 21.2503 17.6327 9.49222 17.6327 -5.91022 -1.29855 9.49228 -1.29867 51.5985 GPRESSAVG: 3753800 20.7979 17.2177 8.585 21.2997 -6.42833 -0.860867 10.1042 0.565845 52.7864 TIMING: 3753800 CPU: 10875.9, 0.0028732/step Wall: 10875.9, 0.0028732/step, 0.994605 hours remaining, 211.437500 MB of memory in use. ENERGY: 3753800 713.2198 2108.3846 1956.3556 106.0893 -206465.0035 17657.7637 0.0000 0.0000 34287.7756 -149635.4149 299.4437 -183923.1904 -149541.9121 298.2220 -28.7648 2.2826 555439.3439 22.3129 22.3853 PRESSURE: 3754000 19.8918 -112.654 115.377 -112.653 171.729 81.1102 115.376 81.1094 -341.333 GPRESSURE: 3754000 68.6446 -78.4884 163.083 -96.6886 157.363 56.4782 58.554 152.472 -270.794 PRESSAVG: 3754000 81.0225 0.87803 24.8454 0.877958 -16.6478 14.3395 24.8454 14.3396 -81.1216 GPRESSAVG: 3754000 81.5824 2.07237 23.9173 0.55205 -15.8218 15.1584 25.032 13.5448 -82.1869 TIMING: 3754000 CPU: 10876.5, 0.0028787/step Wall: 10876.5, 0.0028787/step, 0.996351 hours remaining, 211.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3754000 723.7400 2123.3381 1956.3706 115.5685 -206221.3298 17749.5983 0.0000 0.0000 34094.1803 -149458.5340 297.7530 -183552.7143 -149371.5840 298.8366 -49.9043 -14.9287 556308.5100 -5.5823 -5.4755 PRESSURE: 3754200 -20.8488 -56.6102 226.891 -56.6113 -60.8097 -21.2136 226.89 -21.2128 -70.2102 GPRESSURE: 3754200 -12.4716 -78.1263 224.459 -61.4367 -28.5474 25.2173 197.178 -22.2015 -18.6823 PRESSAVG: 3754200 14.2752 2.18034 69.9096 2.18027 19.4968 40.387 69.9096 40.387 -14.9634 GPRESSAVG: 3754200 13.6513 1.38843 69.4852 1.68719 20.7233 37.8751 69.1826 42.0238 -15.7263 TIMING: 3754200 CPU: 10877.1, 0.00286775/step Wall: 10877.1, 0.00286775/step, 0.992402 hours remaining, 211.437500 MB of memory in use. ENERGY: 3754200 751.3668 2072.6730 1952.4293 130.8949 -206291.9506 17604.4988 0.0000 0.0000 34330.6463 -149449.4418 299.8181 -183780.0880 -149346.8877 298.5367 -50.6229 -19.9004 555228.1753 6.2695 6.2161 PRESSURE: 3754400 -153.268 -76.4725 67.2149 -76.4722 -72.716 -170.744 67.2156 -170.743 -21.3426 GPRESSURE: 3754400 -65.4235 -126.572 112.743 -48.6992 -106.395 -199.989 106.027 -208.667 33.1334 PRESSAVG: 3754400 13.2252 -67.795 34.4735 -67.7949 1.32467 21.2405 34.4735 21.2404 22.8604 GPRESSAVG: 3754400 12.8562 -67.6474 36.8233 -68.4169 0.53005 20.4165 34.1412 21.3425 23.9381 TIMING: 3754400 CPU: 10877.6, 0.00286583/step Wall: 10877.6, 0.00286582/step, 0.991575 hours remaining, 211.437500 MB of memory in use. ENERGY: 3754400 734.1380 2115.2118 1953.8535 110.3495 -206239.5173 17587.9671 0.0000 0.0000 34308.8814 -149429.1160 299.6280 -183737.9974 -149327.6304 298.7024 -82.4423 -46.2284 557942.4192 12.4701 12.4415 PRESSURE: 3754600 17.0817 -99.1593 147.443 -99.159 -299.702 -91.4936 147.444 -91.4944 -41.6263 GPRESSURE: 3754600 20.9388 -150.19 142.057 -72.0533 -226.035 -59.3966 138.996 -107.421 -20.9324 PRESSAVG: 3754600 31.797 -28.5381 9.85606 -28.5381 19.4681 -17.8182 9.85607 -17.8182 -59.0495 GPRESSAVG: 3754600 31.194 -30.621 9.20436 -27.664 19.1823 -17.0023 10.745 -17.3088 -57.8376 TIMING: 3754600 CPU: 10878.2, 0.00285301/step Wall: 10878.2, 0.00285301/step, 0.986984 hours remaining, 211.437500 MB of memory in use. ENERGY: 3754600 717.0254 2116.6450 1963.3189 110.5479 -206281.8151 17758.6679 0.0000 0.0000 34200.9347 -149414.6753 298.6853 -183615.6100 -149316.4458 297.9695 -108.0822 -75.3429 558052.7404 -2.5948 -2.4871 PRESSURE: 3754800 298.143 92.8478 13.6693 92.8488 41.1682 -159.215 13.6695 -159.215 -63.6296 GPRESSURE: 3754800 319.502 54.7672 -0.998283 37.4194 106.909 -193.031 23.4492 -151.204 -39.3902 PRESSAVG: 3754800 -27.4813 -8.16143 -35.7241 -8.16138 7.90905 -55.8812 -35.7241 -55.8812 13.9649 GPRESSAVG: 3754800 -27.2122 -7.40195 -36.3526 -7.47796 8.73017 -55.9471 -38.3833 -58.0638 12.4783 TIMING: 3754800 CPU: 10878.8, 0.00284492/step Wall: 10878.8, 0.00284492/step, 0.984025 hours remaining, 211.437500 MB of memory in use. ENERGY: 3754800 710.9995 2091.6432 1960.7078 120.1491 -206433.4860 17914.1182 0.0000 0.0000 34147.6707 -149488.1975 298.2201 -183635.8682 -149388.6739 297.9807 91.8938 129.0067 556555.1406 -1.8691 -2.0013 PRESSURE: 3755000 68.6079 -170.639 129.279 -170.64 15.2285 -179.776 129.28 -179.775 172.566 GPRESSURE: 3755000 150.141 -109.925 137.865 -184.36 -4.61862 -188.29 133.834 -187.459 210.773 PRESSAVG: 3755000 21.8039 -21.3928 28.1317 -21.3929 -17.8974 12.7455 28.1318 12.7455 33.7002 GPRESSAVG: 3755000 23.3716 -19.5407 29.601 -23.5785 -18.2971 11.8281 30.8821 14.3033 33.0809 TIMING: 3755000 CPU: 10879.4, 0.00284848/step Wall: 10879.4, 0.00284848/step, 0.985098 hours remaining, 211.437500 MB of memory in use. ENERGY: 3755000 746.6552 2118.1949 1960.0244 120.5537 -206677.4292 18044.8518 0.0000 0.0000 34288.9514 -149398.1977 299.4539 -183687.1491 -149302.6390 298.3398 85.4675 118.7651 556296.1421 12.5356 12.7185 PRESSURE: 3755200 32.845 16.5692 -3.38146 16.568 -157.831 -168.386 -3.38145 -168.386 -78.0447 GPRESSURE: 3755200 81.6417 -88.1575 -24.9245 99.304 -124.653 -148.23 -4.09392 -39.2817 -60.263 PRESSAVG: 3755200 -22.3288 23.0119 -56.6493 23.012 23.1295 -38.0054 -56.6494 -38.0054 13.3588 GPRESSAVG: 3755200 -23.0351 20.8241 -58.0865 24.4593 22.9561 -38.1198 -58.417 -38.9127 14.3659 TIMING: 3755200 CPU: 10879.9, 0.00285601/step Wall: 10879.9, 0.00285601/step, 0.987545 hours remaining, 211.437500 MB of memory in use. ENERGY: 3755200 773.0526 2120.5020 1979.2206 119.5301 -206572.3729 17760.3479 0.0000 0.0000 34330.5287 -149489.1911 299.8170 -183819.7197 -149390.5187 299.1937 -67.6771 -34.4249 556633.3857 4.7198 4.7623 PRESSURE: 3755400 70.6625 -14.9831 77.2384 -14.9831 -146.121 -95.8832 77.2388 -95.8851 14.021 GPRESSURE: 3755400 67.6398 27.8514 -93.6558 -24.5661 -29.0939 -194.122 176.389 -47.3062 -5.71147 PRESSAVG: 3755400 34.0958 2.30555 5.65297 2.30546 -27.9167 13.8946 5.65299 13.8947 12.616 GPRESSAVG: 3755400 33.9139 1.85057 6.11053 2.53165 -27.9529 13.8003 6.54891 14.9151 12.9417 TIMING: 3755400 CPU: 10880.5, 0.00285496/step Wall: 10880.5, 0.00285496/step, 0.987024 hours remaining, 211.437500 MB of memory in use. ENERGY: 3755400 721.5534 2076.2472 1965.2658 107.7000 -206480.1013 17855.3956 0.0000 0.0000 34338.0476 -149415.8916 299.8827 -183753.9392 -149318.3380 299.2071 -20.4792 10.9448 557718.8641 6.2650 6.3009 PRESSURE: 3755600 220.225 77.1615 -114.237 77.1618 -133.496 -8.48213 -114.236 -8.48103 -218.5 GPRESSURE: 3755600 267.345 137.222 -122.527 46.9948 -71.5699 43.1795 -128.491 -27.1727 -228.331 PRESSAVG: 3755600 33.2151 -1.41523 -29.1073 -1.41526 -25.6473 -62.722 -29.1073 -62.7219 -22.8455 GPRESSAVG: 3755600 33.7196 -0.100345 -28.4236 -1.3127 -26.7148 -62.2744 -28.7474 -64.8152 -21.8717 TIMING: 3755600 CPU: 10881.1, 0.00283076/step Wall: 10881.1, 0.00283076/step, 0.978498 hours remaining, 211.437500 MB of memory in use. ENERGY: 3755600 766.9209 2121.4637 1966.7058 112.9393 -206390.3509 17919.7777 0.0000 0.0000 34243.2109 -149259.3327 299.0545 -183502.5435 -149161.8668 299.2514 -43.9237 -10.8519 556956.2903 -5.0926 -4.9556 PRESSURE: 3755800 65.9105 -91.6875 44.3514 -91.6867 43.4976 27.229 44.3512 27.2283 240.882 GPRESSURE: 3755800 75.3366 -103.227 104.042 -64.073 141.911 30.7357 15.6989 -13.0041 226.146 PRESSAVG: 3755800 34.9164 -22.4704 -7.23239 -22.4705 40.1566 -27.9213 -7.23247 -27.9213 -16.9635 GPRESSAVG: 3755800 34.2496 -21.7743 -10.5317 -24.5849 41.8285 -28.3579 -6.58275 -28.1423 -17.7961 TIMING: 3755800 CPU: 10881.6, 0.00284254/step Wall: 10881.6, 0.00284254/step, 0.982415 hours remaining, 211.437500 MB of memory in use. ENERGY: 3755800 773.3150 2095.4402 1958.0310 118.0460 -206621.1960 18187.4375 0.0000 0.0000 34235.5172 -149253.4090 298.9873 -183488.9262 -149150.6907 298.8378 116.7633 147.7980 558434.8487 19.3698 19.4273 PRESSURE: 3756000 189.877 10.5421 18.7624 10.542 157.778 -5.72108 18.762 -5.72245 -53.1351 GPRESSURE: 3756000 155.277 -2.79091 -1.12754 44.6449 249.095 -49.7082 -53.558 97.5245 -21.3109 PRESSAVG: 3756000 -3.44388 -17.885 -9.97515 -17.8849 -50.7943 -7.83326 -9.97513 -7.83319 -4.91429 GPRESSAVG: 3756000 -4.15202 -18.5479 -9.12099 -16.1167 -50.5382 -9.14702 -8.80328 -6.1375 -4.89015 TIMING: 3756000 CPU: 10882.2, 0.00287078/step Wall: 10882.2, 0.00287078/step, 0.992014 hours remaining, 211.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3756000 691.8446 2103.2967 1946.5029 105.7930 -206463.6888 18037.0049 0.0000 0.0000 34307.5056 -149271.7410 299.6160 -183579.2467 -149169.2658 298.8627 98.1732 127.6871 558533.2433 -19.7175 -19.8601 PRESSURE: 3756200 -88.0416 100.869 -40.0083 100.867 -201.325 -32.9008 -40.0086 -32.9018 -20.897 GPRESSURE: 3756200 -72.1835 76.2515 -127.618 -5.73871 -113.37 17.1403 30.8674 -36.3894 -28.5584 PRESSAVG: 3756200 -27.8568 0.00266424 -27.694 0.00264354 12.4829 7.59445 -27.6939 7.59452 40.4743 GPRESSAVG: 3756200 -27.5015 -0.760305 -24.622 0.214712 11.8835 9.20961 -30.6193 8.04602 40.457 TIMING: 3756200 CPU: 10882.8, 0.00286289/step Wall: 10882.8, 0.00286289/step, 0.989127 hours remaining, 211.437500 MB of memory in use. ENERGY: 3756200 759.5327 2084.0399 1975.9828 107.6537 -206111.8431 17769.9250 0.0000 0.0000 34245.9067 -149168.8023 299.0780 -183414.7090 -149067.3844 298.7846 -103.4211 -71.3705 558881.1258 8.3668 8.2797 LDB: ============= START OF LOAD BALANCING ============== 10886.2 LDB: ============== END OF LOAD BALANCING =============== 10886.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10886.2 LDB: ============= START OF LOAD BALANCING ============== 10886.5 LDB: Largest compute 4792 load 0.025780 is 21.8% of average load 0.118033 LDB: Average compute 0.001730 is 1.5% of average load 0.118033 LDB: TIME 10886.5 LOAD: AVG 0.118033 MAX 0.180464 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.348 MB LDB: TIME 10886.5 LOAD: AVG 0.118033 MAX 0.180464 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.348 MB LDB: TIME 10886.5 LOAD: AVG 0.118033 MAX 0.180464 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.348 MB LDB: ============== END OF LOAD BALANCING =============== 10886.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10886.5 PRESSURE: 3756400 44.0392 93.0286 -142.776 93.0291 71.0399 3.29917 -142.776 3.30188 -113.073 GPRESSURE: 3756400 6.98209 44.4228 -89.2523 75.7565 113.136 -10.9185 -228.032 42.368 -13.4313 PRESSAVG: 3756400 -16.4979 38.6751 -85.7867 38.6752 -5.63077 -33.0434 -85.7867 -33.0433 -1.16461 GPRESSAVG: 3756400 -15.7553 37.7808 -87.1221 38.0527 -4.57343 -34.1457 -84.051 -33.6333 -2.47547 TIMING: 3756400 CPU: 10883.4, 0.00294522/step Wall: 10883.4, 0.00294522/step, 1.01741 hours remaining, 210.406250 MB of memory in use. ENERGY: 3756400 708.0037 2164.2986 1948.7628 113.1686 -206198.4799 17800.9092 0.0000 0.0000 34235.1661 -149228.1709 298.9842 -183463.3370 -149134.2361 299.1038 0.6689 35.5622 558115.4641 -7.7644 -7.6014 PRESSURE: 3756600 130.849 15.3257 106.118 15.3235 -126.425 16.6882 106.117 16.6894 191.642 GPRESSURE: 3756600 230.898 -37.6491 117.928 67.4953 -117.598 16.8352 7.69497 72.7649 179.513 PRESSAVG: 3756600 13.9255 41.2778 7.61068 41.2777 -57.8208 33.1879 7.61066 33.1879 22.5922 GPRESSAVG: 3756600 13.7699 44.6597 7.59423 40.6255 -59.57 34.0204 7.21152 32.5911 25.0995 TIMING: 3756600 CPU: 10883.9, 0.00290194/step Wall: 10883.9, 0.00290194/step, 1.0023 hours remaining, 210.546875 MB of memory in use. ENERGY: 3756600 732.2877 2086.5935 1966.0624 116.6867 -206323.9831 17956.8071 0.0000 0.0000 34330.4491 -149135.0967 299.8164 -183465.5457 -149039.4352 299.3204 65.3552 97.6044 559062.0192 -7.1010 -6.9002 PRESSURE: 3756800 -196.181 -53.6325 133.45 -53.6323 -87.9534 -103.784 133.449 -103.784 -189.167 GPRESSURE: 3756800 -171.809 -77.1786 151.558 -46.4323 -19.4319 -106.276 237.607 -75.3793 -180.93 PRESSAVG: 3756800 -10.8832 -21.5674 -2.87095 -21.5674 56.6212 -53.9481 -2.87096 -53.9481 -28.7251 GPRESSAVG: 3756800 -10.8092 -21.9261 -3.769 -21.5095 57.1237 -53.7834 -1.95218 -54.5653 -29.5223 TIMING: 3756800 CPU: 10884.5, 0.00289665/step Wall: 10884.5, 0.00289665/step, 1.00031 hours remaining, 210.546875 MB of memory in use. ENERGY: 3756800 752.5370 2105.0032 1973.2540 99.3105 -205957.1214 17602.8154 0.0000 0.0000 34316.4296 -149107.7719 299.6939 -183424.2015 -149014.0975 299.3621 -157.7672 -124.0570 558469.5491 5.6710 5.5974 PRESSURE: 3757000 -192.481 126.777 -161.191 126.776 9.96138 19.1249 -161.19 19.1264 -183.107 GPRESSURE: 3757000 -133.597 128.573 -148.334 94.7171 62.1642 -38.3561 -209.376 22.9843 -190.945 PRESSAVG: 3757000 -25.5752 50.3178 -21.4148 50.3179 -30.976 14.4532 -21.4149 14.4532 47.5062 GPRESSAVG: 3757000 -25.322 50.9125 -20.1247 51.3002 -31.9026 14.8232 -23.6519 15.3196 48.3811 TIMING: 3757000 CPU: 10885.1, 0.00287943/step Wall: 10885.1, 0.00287943/step, 0.994204 hours remaining, 210.546875 MB of memory in use. ENERGY: 3757000 763.0838 2095.4664 1929.1521 107.4970 -205767.4511 17610.5152 0.0000 0.0000 34339.6334 -148922.1031 299.8966 -183261.7364 -148821.6340 300.0824 -121.8755 -87.4592 558568.0376 -3.0150 -2.9478 PRESSURE: 3757200 -102.321 54.8593 98.6668 54.8592 -63.9875 -271.876 98.6667 -271.875 80.9518 GPRESSURE: 3757200 -56.0215 70.1003 69.6452 -6.58058 7.77217 -238.359 110.544 -156.335 63.8544 PRESSAVG: 3757200 -34.5749 62.7144 -2.96098 62.7144 -19.4968 11.2606 -2.96101 11.2606 9.05985 GPRESSAVG: 3757200 -33.9685 60.8083 -2.4713 61.3045 -19.2748 10.54 -2.87426 10.1915 7.89458 TIMING: 3757200 CPU: 10885.7, 0.00287047/step Wall: 10885.7, 0.00287047/step, 0.99095 hours remaining, 210.546875 MB of memory in use. ENERGY: 3757200 757.7590 2071.9557 1958.8498 105.7441 -206109.4060 17830.6599 0.0000 0.0000 34391.6533 -148992.7843 300.3509 -183384.4375 -148887.4139 300.5353 -28.4524 5.2017 557916.4792 -15.0039 -15.1163 PRESSURE: 3757400 132.441 9.49502 -91.9758 9.49422 -44.4852 -22.6613 -91.9769 -22.6606 30.9131 GPRESSURE: 3757400 169.257 -9.26352 -109.41 -34.3324 43.4508 -98.5063 -115.807 81.6483 6.43369 PRESSAVG: 3757400 41.952 36.5762 31.4839 36.5762 -45.2434 -34.7859 31.4839 -34.7858 18.2225 GPRESSAVG: 3757400 42.0007 38.1487 30.3933 37.2682 -45.5722 -32.4025 32.6234 -34.6398 18.3112 TIMING: 3757400 CPU: 10886.3, 0.00288309/step Wall: 10886.3, 0.00288309/step, 0.995145 hours remaining, 210.546875 MB of memory in use. ENERGY: 3757400 755.4673 2105.5122 1954.3280 111.7760 -206102.6564 17755.8478 0.0000 0.0000 34267.7707 -149151.9544 299.2690 -183419.7251 -149054.4803 299.7345 39.6231 73.0472 557281.2678 4.9770 4.9132 PRESSURE: 3757600 64.2357 68.6042 171.985 68.603 -17.8341 -61.0723 171.985 -61.0742 108.807 GPRESSURE: 3757600 110.085 82.5922 179.054 35.7526 -2.31105 9.12263 203.897 -114.455 142.663 PRESSAVG: 3757600 -33.665 -17.9407 39.732 -17.9408 84.7254 -7.49619 39.732 -7.49625 -9.70405 GPRESSAVG: 3757600 -33.8997 -19.6013 39.0847 -16.2147 85.9737 -9.39646 40.7731 -9.11744 -10.2601 TIMING: 3757600 CPU: 10886.8, 0.00288481/step Wall: 10886.8, 0.00288481/step, 0.995579 hours remaining, 210.546875 MB of memory in use. ENERGY: 3757600 736.6063 2127.0563 1926.5004 105.6507 -205968.5793 17761.6627 0.0000 0.0000 34306.2017 -149004.9011 299.6046 -183311.1029 -148908.2304 299.8716 51.7363 83.4787 557247.2522 13.7854 13.9379 PRESSURE: 3757800 -229.339 64.7573 -278.849 64.7578 -201.249 -92.6207 -278.849 -92.6211 -27.1666 GPRESSURE: 3757800 -197.316 7.88944 -276.399 67.2163 -155.648 -154.306 -247.803 3.60602 -9.05714 PRESSAVG: 3757800 -61.4464 55.9381 -62.0217 55.9382 7.50237 -14.7873 -62.0217 -14.7874 50.7624 GPRESSAVG: 3757800 -61.4714 56.3705 -59.7768 56.4628 6.75784 -15.8134 -62.2209 -13.2393 51.0238 TIMING: 3757800 CPU: 10887.4, 0.00286511/step Wall: 10887.4, 0.00286511/step, 0.988622 hours remaining, 210.546875 MB of memory in use. ENERGY: 3757800 788.6490 2120.4567 1930.6864 117.9932 -205878.5404 17682.1378 0.0000 0.0000 34187.9591 -149050.6582 298.5719 -183238.6173 -148945.3569 299.2283 -152.5847 -120.6739 559725.3089 -1.0605 -1.2299 PRESSURE: 3758000 -92.554 21.0799 73.5915 21.0805 -108.581 0.973683 73.5906 0.972139 -32.1028 GPRESSURE: 3758000 -42.3493 37.9485 153.611 -8.03475 -61.3898 15.4997 -58.833 -60.1337 -30.4151 PRESSAVG: 3758000 14.452 -7.73018 15.3014 -7.73019 -45.926 -0.632683 15.3013 -0.632781 34.114 GPRESSAVG: 3758000 13.1413 -7.79259 13.0522 -9.40142 -44.5864 -0.153894 15.4682 -1.33447 33.9319 TIMING: 3758000 CPU: 10888, 0.00286596/step Wall: 10888, 0.00286596/step, 0.988758 hours remaining, 210.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3758000 737.8014 2115.6416 1960.6521 113.9357 -206024.4024 17824.0953 0.0000 0.0000 34249.9385 -149022.3377 299.1132 -183272.2763 -148926.3420 299.0690 -77.7461 -44.7181 559699.7995 0.8800 0.8289 PRESSURE: 3758200 211.067 -15.3965 193.154 -15.3961 46.1799 -68.063 193.152 -68.0613 107.061 GPRESSURE: 3758200 244.112 25.4919 199.444 19.9721 108.833 -91.9107 174.432 -80.1431 105.683 PRESSAVG: 3758200 31.4228 1.04391 63.5582 1.04391 -44.9968 -18.5009 63.5582 -18.5008 -0.697199 GPRESSAVG: 3758200 32.3686 1.34812 63.7414 1.59151 -46.7661 -16.5549 61.1233 -19.3888 -0.117528 TIMING: 3758200 CPU: 10888.6, 0.00287039/step Wall: 10888.6, 0.00287039/step, 0.990124 hours remaining, 210.546875 MB of memory in use. ENERGY: 3758200 757.4456 2101.3820 1943.5705 120.0390 -206613.7032 18011.8538 0.0000 0.0000 34365.6949 -149313.7173 300.1242 -183679.4122 -149219.2939 299.2329 121.4361 152.8761 557283.9046 -4.7571 -4.8384 PRESSURE: 3758400 102.833 69.9252 85.7851 69.9265 128.653 91.7785 85.7857 91.779 142.384 GPRESSURE: 3758400 154.928 137.681 20.6027 16.3678 233.02 150.142 71.4014 95.2974 97.8214 PRESSAVG: 3758400 -6.09926 -14.1113 61.5954 -14.1112 11.5643 1.49176 61.5955 1.49172 39.6171 GPRESSAVG: 3758400 -5.56733 -14.491 61.2341 -14.3634 11.3899 2.62177 66.4388 0.65466 39.6237 TIMING: 3758400 CPU: 10889.1, 0.00287269/step Wall: 10889.1, 0.00287269/step, 0.990758 hours remaining, 210.546875 MB of memory in use. ENERGY: 3758400 735.9880 2149.7106 1908.8082 123.3683 -206647.1224 18268.9100 0.0000 0.0000 34111.2446 -149349.0927 297.9020 -183460.3373 -149255.5798 299.2560 124.6231 161.9231 558640.2456 15.0274 15.1488 PRESSURE: 3758600 -249.554 80.7705 130.397 80.7689 60.3875 -17.7959 130.396 -17.7964 -33.309 GPRESSURE: 3758600 -205.528 118.604 165.807 104.91 92.3897 -12.8052 111.383 37.0299 -9.46438 PRESSAVG: 3758600 -2.6572 23.7296 47.2107 23.7295 26.9192 4.39209 47.2106 4.39211 -17.041 GPRESSAVG: 3758600 -4.16614 22.0385 49.2022 24.3024 28.4457 1.79857 43.6289 7.46035 -17.5385 TIMING: 3758600 CPU: 10889.7, 0.00287381/step Wall: 10889.7, 0.0028738/step, 0.990984 hours remaining, 210.546875 MB of memory in use. ENERGY: 3758600 703.7524 2110.9302 1966.1991 112.7480 -206146.9997 17741.0748 0.0000 0.0000 34203.1389 -149309.1564 298.7045 -183512.2953 -149209.7842 298.6520 -74.1585 -40.8676 558594.6498 2.4070 2.2470 PRESSURE: 3758800 51.9441 -107.339 86.0678 -107.34 -58.362 -4.00187 86.0674 -4.00219 -206.754 GPRESSURE: 3758800 43.9572 -63.0327 124.735 -219.643 -22.7835 30.5192 28.6623 -56.5223 -139.784 PRESSAVG: 3758800 1.95113 18.6735 -8.22044 18.6736 -17.8641 -18.5918 -8.22047 -18.5918 -11.7957 GPRESSAVG: 3758800 1.94501 19.2365 -8.71994 17.6933 -17.8006 -17.4574 -8.57485 -19.6411 -11.9729 TIMING: 3758800 CPU: 10890.3, 0.00288837/step Wall: 10890.3, 0.00288837/step, 0.995846 hours remaining, 210.546875 MB of memory in use. ENERGY: 3758800 782.0396 2147.1049 1930.9507 105.4880 -206468.6137 17808.8164 0.0000 0.0000 34285.0733 -149409.1407 299.4201 -183694.2141 -149315.3309 298.4201 -71.0574 -39.5367 557127.8148 -9.2362 -9.2762 PRESSURE: 3759000 -137.496 32.1223 -9.20727 32.1217 -9.25562 -110.854 -9.2085 -110.853 137.622 GPRESSURE: 3759000 -103.584 49.8997 -33.7286 65.7893 -2.19334 -144.008 16.8856 -34.3035 185.688 PRESSAVG: 3759000 4.10562 -4.38325 35.1026 -4.3832 80.2683 21.9645 35.1026 21.9645 -69.9172 GPRESSAVG: 3759000 4.972 -3.31693 35.7528 -3.9636 78.1993 21.4789 34.6515 21.481 -69.5758 TIMING: 3759000 CPU: 10890.9, 0.00290365/step Wall: 10890.9, 0.00290365/step, 1.00095 hours remaining, 210.546875 MB of memory in use. ENERGY: 3759000 751.1248 2087.4423 1964.3285 118.5756 -206352.6515 17731.4901 0.0000 0.0000 34240.1066 -149459.5838 299.0274 -183699.6903 -149358.3848 299.0802 -3.0434 26.6369 557312.0881 4.8189 4.5318 PRESSURE: 3759200 54.9425 44.2606 75.972 44.2605 -95.1549 125.364 75.9726 125.362 -18.1485 GPRESSURE: 3759200 84.7202 149.608 74.1911 48.8571 -17.8136 95.8824 84.4485 192.112 -4.93934 PRESSAVG: 3759200 -24.9999 -14.7652 12.4681 -14.7653 -23.3488 -7.7927 12.4681 -7.79277 17.0102 GPRESSAVG: 3759200 -25.5947 -15.4673 10.2076 -13.0202 -22.4232 -8.49229 14.0599 -5.2878 16.5272 TIMING: 3759200 CPU: 10891.4, 0.00288782/step Wall: 10891.4, 0.00288782/step, 0.995334 hours remaining, 210.546875 MB of memory in use. ENERGY: 3759200 724.5252 2082.9782 1948.3891 114.2459 -206721.9557 17926.0811 0.0000 0.0000 34385.1186 -149540.6175 300.2938 -183925.7362 -149440.3703 298.6371 -19.4537 20.6558 557005.9747 -10.4462 -10.4969 PRESSURE: 3759400 -278.672 40.5042 -115.166 40.5042 131.246 29.2723 -115.165 29.2709 -161.586 GPRESSURE: 3759400 -235.598 39.5108 -90.4168 26.9785 153.902 48.7648 -103.009 15.4455 -138.492 PRESSAVG: 3759400 43.5055 31.7094 -12.8749 31.7093 -35.1968 -17.5667 -12.875 -17.5667 -39.8613 GPRESSAVG: 3759400 42.7449 34.4515 -11.8782 29.3 -35.3435 -16.7414 -12.8208 -18.5713 -39.0714 TIMING: 3759400 CPU: 10892, 0.00288403/step Wall: 10892, 0.00288403/step, 0.99387 hours remaining, 210.546875 MB of memory in use. ENERGY: 3759400 795.8437 2068.3693 1952.7738 109.6855 -206094.8364 17832.1988 0.0000 0.0000 34013.5907 -149322.3746 297.0491 -183335.9653 -149237.6151 299.0519 -103.0037 -73.3957 558352.8553 -10.5175 -10.5567 PRESSURE: 3759600 7.86622 30.8013 -2.56804 30.8018 162.734 23.8198 -2.56737 23.8206 85.7362 GPRESSURE: 3759600 122.461 32.5671 -52.8706 35.5563 127.186 -44.5818 87.76 88.273 109.235 PRESSAVG: 3759600 4.61713 6.71815 -54.9345 6.71816 46.5178 12.9529 -54.9344 12.9527 -25.6532 GPRESSAVG: 3759600 5.96874 5.44874 -53.5299 7.85447 45.8166 14.6731 -55.1666 11.3201 -26.3209 TIMING: 3759600 CPU: 10892.6, 0.00288988/step Wall: 10892.6, 0.00288988/step, 0.995724 hours remaining, 210.546875 MB of memory in use. ENERGY: 3759600 708.0491 2091.4270 1936.9245 103.4239 -206092.8359 17711.7467 0.0000 0.0000 34313.0379 -149228.2267 299.6643 -183541.2647 -149125.6221 299.2455 85.4454 119.6275 556559.6028 8.4939 8.4882 PRESSURE: 3759800 103.478 1.89412 43.0914 1.89565 193.281 -26.404 43.0911 -26.4043 52.0363 GPRESSURE: 3759800 122.145 15.3393 53.1756 -77.1584 181.443 -58.7758 70.7606 28.2797 111.756 PRESSAVG: 3759800 48.6351 -18.0681 -28.4891 -18.0681 -17.3851 22.8549 -28.489 22.8551 -22.3604 GPRESSAVG: 3759800 47.9665 -18.6816 -27.3652 -19.8706 -16.7063 21.8575 -29.1871 25.3221 -22.1377 TIMING: 3759800 CPU: 10893.2, 0.00288334/step Wall: 10893.2, 0.00288334/step, 0.993311 hours remaining, 210.546875 MB of memory in use. ENERGY: 3759800 749.9263 2106.0167 1943.8018 107.3563 -206384.9070 17909.9133 0.0000 0.0000 34077.8834 -149490.0091 297.6106 -183567.8925 -149397.4990 299.1922 116.2651 138.4479 557545.3557 2.9632 3.0408 PRESSURE: 3760000 -329.51 -1.60902 66.7801 -1.60894 -86.19 -74.6799 66.7802 -74.6807 -191.183 GPRESSURE: 3760000 -254.413 0.488147 120.285 -132.729 -84.6462 14.4736 -20.6448 -141.816 -161.069 PRESSAVG: 3760000 31.2093 16.7479 -2.81879 16.748 38.9191 -16.6893 -2.81875 -16.6893 -51.4587 GPRESSAVG: 3760000 32.2123 16.3472 -5.31901 19.5165 37.8021 -17.9333 -2.8729 -18.0232 -51.1074 TIMING: 3760000 CPU: 10893.7, 0.00288413/step Wall: 10893.7, 0.00288413/step, 0.993424 hours remaining, 210.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3760000 732.9630 2068.1047 1962.3907 111.1567 -205905.6329 17450.2385 0.0000 0.0000 34266.0359 -149314.7435 299.2538 -183580.7794 -149217.7733 299.2761 -202.2943 -166.7096 556810.6299 6.2233 6.3024 PRESSURE: 3760200 135.659 -103.148 -19.5614 -103.15 346.759 15.6832 -19.5622 15.6844 242.251 GPRESSURE: 3760200 133.168 -87.3002 -41.1722 -81.7258 461.344 4.81492 -27.2177 -7.75599 216.04 PRESSAVG: 3760200 -40.6062 38.3269 -21.2263 38.3269 51.1873 -33.9256 -21.2264 -33.9256 6.59727 GPRESSAVG: 3760200 -42.6014 38.3015 -20.0221 38.2731 52.9314 -34.4946 -22.2014 -34.7383 6.74337 TIMING: 3760200 CPU: 10894.3, 0.00287484/step Wall: 10894.3, 0.00287484/step, 0.990063 hours remaining, 210.546875 MB of memory in use. ENERGY: 3760200 716.7775 2072.8050 1923.4818 120.1624 -206719.2237 18304.6413 0.0000 0.0000 34205.1294 -149376.2263 298.7219 -183581.3557 -149278.8448 299.8457 241.5565 270.1839 556917.4010 5.7261 5.6911 LDB: ============= START OF LOAD BALANCING ============== 10897.7 LDB: ============== END OF LOAD BALANCING =============== 10897.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10897.7 LDB: ============= START OF LOAD BALANCING ============== 10898 LDB: Largest compute 4792 load 0.026261 is 22.3% of average load 0.118021 LDB: Average compute 0.001726 is 1.5% of average load 0.118021 LDB: TIME 10898 LOAD: AVG 0.118021 MAX 0.181585 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.348 MB LDB: TIME 10898 LOAD: AVG 0.118021 MAX 0.181585 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.348 MB LDB: TIME 10898 LOAD: AVG 0.118021 MAX 0.181585 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10898 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10898 PRESSURE: 3760400 -52.2882 -83.9259 17.5618 -83.9248 -368.512 85.4543 17.5616 85.4538 -109.021 GPRESSURE: 3760400 -30.5514 -92.6888 119.511 -32.0927 -337.913 75.1255 -14.0434 28.5538 -66.8884 PRESSAVG: 3760400 55.6924 18.4781 26.1555 18.4781 -77.9879 -4.0583 26.1555 -4.05814 -9.15616 GPRESSAVG: 3760400 56.1444 19.5017 26.6573 16.8553 -78.6892 -3.61373 27.0207 -2.6161 -8.52986 TIMING: 3760400 CPU: 10894.9, 0.00294024/step Wall: 10894.9, 0.00294024/step, 1.01242 hours remaining, 209.835938 MB of memory in use. ENERGY: 3760400 746.6659 2090.3908 1961.8402 112.7033 -205980.9702 17572.5824 0.0000 0.0000 34151.7864 -149345.0011 298.2560 -183496.7876 -149247.6504 298.5083 -176.6069 -145.1177 559592.8841 -10.4839 -10.3582 PRESSURE: 3760600 97.585 19.6589 -49.9941 19.6587 -110.2 6.76792 -49.9955 6.76801 -12.3788 GPRESSURE: 3760600 132.878 -11.2364 3.81355 64.382 -65.2802 12.8081 -57.5367 -74.4045 -5.84174 PRESSAVG: 3760600 38.9269 6.1705 -12.7265 6.17055 -60.2637 -5.27584 -12.7265 -5.27579 -13.6641 GPRESSAVG: 3760600 39.7383 6.47616 -13.8814 6.38593 -60.1607 -4.81938 -12.0409 -5.98522 -14.6827 TIMING: 3760600 CPU: 10895.5, 0.00289126/step Wall: 10895.5, 0.00289126/step, 0.995398 hours remaining, 209.835938 MB of memory in use. ENERGY: 3760600 718.2222 2084.5657 1941.5723 126.8767 -206452.5279 17887.5112 0.0000 0.0000 34203.2557 -149490.5241 298.7055 -183693.7798 -149395.0115 298.8548 -8.3314 20.5852 558440.3522 -11.6670 -11.7017 PRESSURE: 3760800 -85.163 -112.811 81.5383 -112.811 -313.297 -30.3629 81.5373 -30.3646 -209.213 GPRESSURE: 3760800 10.2508 -164.581 101.541 -93.9438 -321.187 32.7066 66.7266 -68.978 -195.909 PRESSAVG: 3760800 23.8822 0.33331 -32.0698 0.333391 -65.2761 36.1175 -32.0699 36.1176 14.0659 GPRESSAVG: 3760800 23.976 -0.857066 -31.7728 0.784633 -65.37 38.4898 -32.4681 33.963 14.1844 TIMING: 3760800 CPU: 10896.1, 0.00287463/step Wall: 10896.1, 0.00287463/step, 0.989512 hours remaining, 209.835938 MB of memory in use. ENERGY: 3760800 727.1842 2094.6621 1946.4186 107.8295 -206269.6374 17779.6643 0.0000 0.0000 34252.0620 -149361.8166 299.1318 -183613.8786 -149260.6285 298.9055 -202.5575 -168.9485 559171.0914 -9.1093 -9.0699 PRESSURE: 3761000 13.0747 -129.361 59.5687 -129.361 20.0589 78.5284 59.5699 78.5279 95.4233 GPRESSURE: 3761000 66.3085 -188.946 102.117 -36.7138 42.2397 45.3971 13.3376 116.727 119.727 PRESSAVG: 3761000 -25.3209 -94.0236 -35.9662 -94.0235 29.3912 26.0665 -35.9662 26.0666 24.1992 GPRESSAVG: 3761000 -26.0199 -94.7633 -36.721 -95.2448 30.0918 23.0241 -36.5871 27.5736 23.7835 TIMING: 3761000 CPU: 10896.6, 0.00286509/step Wall: 10896.6, 0.00286509/step, 0.986068 hours remaining, 209.835938 MB of memory in use. ENERGY: 3761000 682.4363 2096.4498 1961.1289 108.8646 -206338.3817 17754.6199 0.0000 0.0000 34380.5567 -149354.3255 300.2540 -183734.8822 -149257.8822 299.1580 42.8523 76.0918 557281.3242 9.4232 9.2852 PRESSURE: 3761200 157.798 18.6578 126.835 18.6598 82.5587 23.3084 126.836 23.3075 -225.13 GPRESSURE: 3761200 116.071 30.5165 87.551 -32.2854 150.607 -19.9601 140.399 -16.262 -152.3 PRESSAVG: 3761200 -18.5421 -9.25854 26.6596 -9.25852 27.2542 21.6318 26.6597 21.6318 7.43451 GPRESSAVG: 3761200 -17.9074 -10.0774 26.9286 -6.43396 26.7053 21.4268 26.9961 22.9515 6.89091 TIMING: 3761200 CPU: 10897.2, 0.00284802/step Wall: 10897.2, 0.00284802/step, 0.980036 hours remaining, 209.835938 MB of memory in use. ENERGY: 3761200 764.7282 2030.2937 1953.1147 106.3294 -206328.8186 17828.2774 0.0000 0.0000 34331.4871 -149314.5880 299.8254 -183646.0751 -149217.9532 299.0647 5.0753 38.1261 557163.6708 5.3822 5.2296 PRESSURE: 3761400 -261.181 -129.187 -140.748 -129.187 -11.3904 -158.378 -140.749 -158.378 -248.211 GPRESSURE: 3761400 -240.832 -120.106 -125.145 -95.1575 -11.49 -186.19 -104.283 -149.589 -154.152 PRESSAVG: 3761400 45.3798 -2.42473 5.30915 -2.42472 -34.7906 -37.6825 5.30914 -37.6826 -12.9937 GPRESSAVG: 3761400 45.2015 -1.56955 4.53447 -5.22134 -35.4554 -36.9001 6.27939 -37.2049 -11.3411 TIMING: 3761400 CPU: 10897.8, 0.00286248/step Wall: 10897.8, 0.00286248/step, 0.984853 hours remaining, 209.835938 MB of memory in use. ENERGY: 3761400 719.6718 2111.4831 1929.8359 117.3489 -206141.7528 17785.5805 0.0000 0.0000 34165.8864 -149311.9464 298.3792 -183477.8327 -149215.2251 299.1605 -173.5941 -135.4915 559727.2945 -0.8015 -0.5316 PRESSURE: 3761600 40.1621 16.9451 3.68061 16.9461 -153.227 -86.2408 3.68108 -86.2427 -48.564 GPRESSURE: 3761600 74.01 35.2453 -2.55019 25.3873 -138.504 -80.8568 -15.6747 -104.219 -6.0571 PRESSAVG: 3761600 42.0588 -24.6772 22.811 -24.6772 -66.5461 -42.6698 22.811 -42.6697 46.7113 GPRESSAVG: 3761600 41.8498 -24.9726 23.3146 -23.5444 -64.9921 -43.0878 22.3981 -42.2769 45.6115 TIMING: 3761600 CPU: 10898.4, 0.00288054/step Wall: 10898.4, 0.00288054/step, 0.990906 hours remaining, 209.835938 MB of memory in use. ENERGY: 3761600 693.2423 2105.0155 1930.4133 117.2890 -206326.9400 17828.7280 0.0000 0.0000 34289.3011 -149362.9508 299.4570 -183652.2519 -149265.4524 298.3989 -53.8763 -23.5169 558864.6084 7.4080 7.4897 PRESSURE: 3761800 -114.069 34.8535 2.92978 34.854 248.342 -32.1749 2.9305 -32.1737 96.8031 GPRESSURE: 3761800 -23.5571 13.3004 67.145 19.1928 256.014 -64.0687 -23.2055 -65.991 98.0668 PRESSAVG: 3761800 -23.1254 24.7211 26.3208 24.7212 24.7535 -55.3946 26.3207 -55.3946 9.32907 GPRESSAVG: 3761800 -23.706 26.0502 27.4548 25.1599 24.2335 -56.2016 25.9706 -55.0651 10.7599 TIMING: 3761800 CPU: 10898.9, 0.00289641/step Wall: 10898.9, 0.00289641/step, 0.996205 hours remaining, 209.835938 MB of memory in use. ENERGY: 3761800 733.2159 2119.3420 1924.0180 104.5986 -206259.7565 17845.9882 0.0000 0.0000 34165.1722 -149367.4216 298.3729 -183532.5938 -149277.3216 298.9305 77.0251 110.1747 557168.8846 3.6524 3.7625 PRESSURE: 3762000 -191.871 68.9997 24.099 68.9998 -105.835 -45.936 24.0985 -45.9383 143.899 GPRESSURE: 3762000 -126.328 -38.1187 -7.58399 124.499 -58.1017 -24.3784 45.1757 -97.1566 134.682 PRESSAVG: 3762000 -59.868 2.59492 34.7268 2.595 34.3942 58.1843 34.7268 58.1843 26.4241 GPRESSAVG: 3762000 -58.877 0.400622 33.3595 2.37736 33.586 59.8332 35.8263 56.8765 26.0884 TIMING: 3762000 CPU: 10899.5, 0.0028727/step Wall: 10899.5, 0.0028727/step, 0.987891 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3762000 709.2651 2110.3725 1930.8198 119.8123 -206063.3162 17711.6859 0.0000 0.0000 34101.1012 -149380.2594 297.8134 -183481.3606 -149283.6331 298.6091 -51.2690 -16.5825 558323.8134 0.3168 0.2658 PRESSURE: 3762200 150.974 44.555 -44.328 44.5539 -21.893 84.5433 -44.3293 84.5443 250.103 GPRESSURE: 3762200 187.907 128.473 -38.7679 -44.326 28.2764 25.6413 -60.2062 50.9144 261.036 PRESSAVG: 3762200 13.0745 -15.6542 -12.3973 -15.6542 13.0106 28.5663 -12.3973 28.5664 -11.6488 GPRESSAVG: 3762200 12.871 -13.8975 -11.1954 -15.6099 13.578 27.2411 -13.5355 29.4019 -12.3603 TIMING: 3762200 CPU: 10900.1, 0.00286967/step Wall: 10900.1, 0.00286967/step, 0.986688 hours remaining, 209.835938 MB of memory in use. ENERGY: 3762200 712.0420 2127.2331 1937.5308 109.3417 -206321.7866 18002.6702 0.0000 0.0000 33997.6192 -149435.3496 296.9097 -183432.9687 -149339.6038 298.1959 126.3947 159.0730 556803.5669 4.8121 4.6963 PRESSURE: 3762400 137.888 -58.3003 22.9669 -58.2996 168.097 -98.3196 22.9672 -98.3194 23.5933 GPRESSURE: 3762400 208.751 -76.0571 83.9998 -71.5834 169.23 -67.296 34.7986 -96.3159 57.0225 PRESSAVG: 3762400 34.3656 -17.8734 27.9461 -17.8735 -17.553 19.8343 27.9462 19.8344 -10.6071 GPRESSAVG: 3762400 32.9949 -17.917 27.1199 -18.6967 -16.7535 22.5811 28.4155 16.7337 -10.2461 TIMING: 3762400 CPU: 10900.7, 0.00288544/step Wall: 10900.7, 0.00288544/step, 0.991949 hours remaining, 209.835938 MB of memory in use. ENERGY: 3762400 745.7049 2106.9411 1958.6555 110.5830 -206629.4522 18156.6499 0.0000 0.0000 34106.9485 -149443.9694 297.8645 -183550.9178 -149348.7694 298.3362 109.8593 145.0013 557588.5816 2.0685 1.9985 PRESSURE: 3762600 93.7188 -32.2493 -34.8629 -32.2493 188.693 -12.9292 -34.8635 -12.9288 65.0226 GPRESSURE: 3762600 134.221 24.0043 -92.4692 -99.6698 172.135 7.20314 -49.1136 -41.3766 155.342 PRESSAVG: 3762600 13.4512 -12.4556 21.8334 -12.4557 41.1972 55.393 21.8334 55.3929 -78.3142 GPRESSAVG: 3762600 14.3377 -12.3873 20.7626 -11.8133 40.9457 55.3396 21.8795 58.1748 -78.1631 TIMING: 3762600 CPU: 10901.2, 0.00287522/step Wall: 10901.2, 0.00287522/step, 0.988277 hours remaining, 209.835938 MB of memory in use. ENERGY: 3762600 708.2752 2122.4669 1924.5239 118.9969 -206623.0274 17970.7497 0.0000 0.0000 34209.1270 -149568.8878 298.7568 -183778.0148 -149473.2117 297.2904 115.8116 153.8993 557081.0056 -7.8886 -7.6266 PRESSURE: 3762800 -338.587 -81.4431 -74.489 -81.443 -209.01 -181.163 -74.4878 -181.162 -107.071 GPRESSURE: 3762800 -357.209 -140.074 -112.085 -4.71234 -146.925 -192.103 -13.9392 -185.479 -58.1728 PRESSAVG: 3762800 -34.9052 14.761 -38.0132 14.7609 58.8784 -17.4741 -38.0132 -17.4741 -41.9592 GPRESSAVG: 3762800 -34.983 16.011 -37.6037 14.5411 59.6876 -18.908 -38.6854 -18.4775 -42.2479 TIMING: 3762800 CPU: 10901.8, 0.00285443/step Wall: 10901.8, 0.00285443/step, 0.980974 hours remaining, 209.835938 MB of memory in use. ENERGY: 3762800 765.5987 2044.0461 1937.1551 116.6795 -206190.0575 17595.3819 0.0000 0.0000 34199.3863 -149531.8100 298.6717 -183731.1963 -149434.0944 298.4259 -218.2223 -187.4359 557885.2010 -5.9953 -5.8478 PRESSURE: 3763000 50.1427 14.3917 -48.4668 14.3915 -98.216 -49.2226 -48.4673 -49.2226 84.7882 GPRESSURE: 3763000 160.811 48.4051 14.6616 -115.423 -73.8789 -16.4169 -20.7856 23.2951 50.1827 PRESSAVG: 3763000 19.5024 1.37283 14.1307 1.37288 -18.8069 23.2507 14.1306 23.2507 -11.9863 GPRESSAVG: 3763000 20.4 0.246572 14.0188 1.14061 -18.7117 24.4464 14.9438 23.6794 -13.1174 TIMING: 3763000 CPU: 10902.4, 0.00284802/step Wall: 10902.4, 0.00284802/step, 0.978612 hours remaining, 209.835938 MB of memory in use. ENERGY: 3763000 742.5476 2065.0967 1925.4339 109.4019 -206992.5486 18135.2373 0.0000 0.0000 34392.9914 -149621.8397 300.3625 -184014.8311 -149528.2304 298.5771 12.2383 45.7050 557584.4175 -3.7636 -3.8097 PRESSURE: 3763200 -348.111 287.814 36.5464 287.815 -469.311 -145.404 36.5464 -145.403 -103.273 GPRESSURE: 3763200 -331.673 309.463 89.3251 269.328 -407.154 -148.923 53.7335 -72.9184 -90.1741 PRESSAVG: 3763200 -10.9045 12.0307 -51.0749 12.0306 10.2122 17.7179 -51.0748 17.718 -35.1319 GPRESSAVG: 3763200 -11.8371 12.8766 -50.6537 11.2496 9.40052 17.5028 -52.0504 18.8688 -33.5277 TIMING: 3763200 CPU: 10902.9, 0.00286091/step Wall: 10902.9, 0.00286091/step, 0.982883 hours remaining, 209.835938 MB of memory in use. ENERGY: 3763200 764.0825 2023.8627 1937.9877 111.7636 -205612.8815 17348.1213 0.0000 0.0000 33863.9784 -149563.0852 295.7425 -183427.0636 -149466.0964 298.2385 -306.8983 -276.3336 558620.1067 -11.9414 -11.9881 PRESSURE: 3763400 70.7903 57.8743 37.4642 57.8755 -145.074 51.3933 37.4644 51.3927 -84.8284 GPRESSURE: 3763400 56.7423 8.49122 -0.43385 198.055 -81.3766 116.817 26.5935 11.5919 -42.1753 PRESSAVG: 3763400 42.7419 15.9768 24.2786 15.9768 -57.6914 32.8245 24.2787 32.8245 32.9493 GPRESSAVG: 3763400 43.1246 17.2651 23.6766 17.1009 -57.777 33.3189 24.7508 31.1304 33.2725 TIMING: 3763400 CPU: 10903.5, 0.00288019/step Wall: 10903.5, 0.00288019/step, 0.989346 hours remaining, 209.835938 MB of memory in use. ENERGY: 3763400 738.3996 2126.4598 1935.2735 112.5016 -206024.5195 17761.1696 0.0000 0.0000 33789.2560 -149561.4594 295.0900 -183350.7154 -149468.9421 297.3739 -53.0372 -22.2699 557749.4151 5.9999 6.2067 PRESSURE: 3763600 -14.0695 63.2058 215.063 63.2059 47.3528 33.6958 215.064 33.6954 -247.356 GPRESSURE: 3763600 -8.38898 150.568 135.027 -6.53803 91.9558 103.321 270.174 -2.98192 -189.983 PRESSAVG: 3763600 53.8343 23.0027 106.7 23.0027 -100.185 41.676 106.7 41.6761 43.6258 GPRESSAVG: 3763600 54.6678 22.6266 106.671 21.426 -100.431 42.1075 106.507 43.3142 43.2259 TIMING: 3763600 CPU: 10904.1, 0.00286047/step Wall: 10904.1, 0.00286047/step, 0.982414 hours remaining, 209.835938 MB of memory in use. ENERGY: 3763600 731.8694 2082.7900 1920.5094 114.0473 -206284.1608 17670.8911 0.0000 0.0000 34238.2554 -149525.7983 299.0112 -183764.0537 -149420.4226 297.7834 -71.3575 -35.4720 556928.0190 -0.9083 -0.8458 PRESSURE: 3763800 -50.682 161.184 170.61 161.184 105.508 45.271 170.61 45.2717 -8.49948 GPRESSURE: 3763800 -44.9057 214.28 258.293 184.25 136.466 50.6684 46.0708 -27.8487 40.9575 PRESSAVG: 3763800 -7.81167 34.3016 43.64 34.3016 104.697 -35.7671 43.64 -35.7671 -90.5953 GPRESSAVG: 3763800 -7.79374 33.7238 45.2228 36.3586 105.836 -36.2112 43.5539 -39.172 -91.4688 TIMING: 3763800 CPU: 10904.7, 0.00285958/step Wall: 10904.7, 0.00285958/step, 0.981949 hours remaining, 209.835938 MB of memory in use. ENERGY: 3763800 781.7873 2077.5919 1936.8762 112.2266 -206291.6359 17745.4388 0.0000 0.0000 33977.1957 -149660.5195 296.7313 -183637.7151 -149563.0753 297.6514 15.4421 44.1727 557306.3682 2.0966 2.1911 PRESSURE: 3764000 26.3363 -64.2835 -8.29032 -64.2818 191.222 25.8142 -8.28968 25.8133 168.978 GPRESSURE: 3764000 19.2496 -109.732 24.3532 -12.7366 235.378 47.2098 -64.5033 -2.54259 221.726 PRESSAVG: 3764000 -24.7235 33.1472 13.3153 33.1472 -38.3703 -1.54271 13.3152 -1.54273 -0.597129 GPRESSAVG: 3764000 -24.1832 34.0814 12.2057 31.8237 -39.2591 -0.462558 13.5638 -0.00142278 0.135339 TIMING: 3764000 CPU: 10905.2, 0.00286442/step Wall: 10905.2, 0.00286442/step, 0.983452 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3764000 717.1430 2069.8894 1942.4522 99.0353 -206576.3337 18105.5776 0.0000 0.0000 34123.2317 -149519.0045 298.0067 -183642.2362 -149422.2415 297.5970 128.8454 158.7844 556179.0019 -21.2303 -21.1023 PRESSURE: 3764200 96.4108 -35.9474 -191.628 -35.948 -56.3684 -33.5022 -191.628 -33.5005 -26.9503 GPRESSURE: 3764200 141.192 -9.80271 -39.8949 -44.8538 -11.9073 -13.4534 -211.714 3.60769 -26.9006 PRESSAVG: 3764200 -27.6757 -16.66 10.0271 -16.66 10.4072 -43.3097 10.027 -43.3097 84.4281 GPRESSAVG: 3764200 -27.1861 -17.4409 11.2351 -17.2754 9.73717 -44.8945 9.2509 -43.0898 84.0211 TIMING: 3764200 CPU: 10905.8, 0.00284944/step Wall: 10905.8, 0.00284944/step, 0.97815 hours remaining, 209.835938 MB of memory in use. ENERGY: 3764200 753.5253 2078.0909 1952.0136 107.8844 -206168.4122 17791.0465 0.0000 0.0000 34151.6537 -149334.1977 298.2549 -183485.8514 -149231.9466 297.9880 4.3640 34.1280 556356.9650 22.3866 22.1907 LDB: ============= START OF LOAD BALANCING ============== 10909.2 LDB: ============== END OF LOAD BALANCING =============== 10909.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10909.2 LDB: ============= START OF LOAD BALANCING ============== 10909.5 LDB: Largest compute 4792 load 0.026329 is 22.3% of average load 0.118033 LDB: Average compute 0.001730 is 1.5% of average load 0.118033 LDB: TIME 10909.5 LOAD: AVG 0.118033 MAX 0.178039 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.348 MB LDB: TIME 10909.5 LOAD: AVG 0.118033 MAX 0.178039 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.605 MB LDB: TIME 10909.5 LOAD: AVG 0.118033 MAX 0.178039 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.605 MB LDB: ============== END OF LOAD BALANCING =============== 10909.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10909.5 PRESSURE: 3764400 -29.8266 46.7868 -142.364 46.7866 -68.1444 -72.8194 -142.366 -72.8188 -24.9239 GPRESSURE: 3764400 -24.8242 65.3102 -132.263 12.5321 -24.9497 -28.8602 -152.557 -31.725 24.6421 PRESSAVG: 3764400 -53.2131 -61.4339 -37.525 -61.434 -9.52807 0.419486 -37.5251 0.419404 117.988 GPRESSAVG: 3764400 -54.2573 -61.1939 -38.7682 -59.3018 -9.60375 2.11461 -37.9419 0.925251 119.311 TIMING: 3764400 CPU: 10906.4, 0.00291328/step Wall: 10906.4, 0.00291328/step, 0.999901 hours remaining, 212.144531 MB of memory in use. ENERGY: 3764400 749.3586 2114.4692 1932.8440 108.8163 -206353.7261 17798.7730 0.0000 0.0000 34356.6253 -149292.8398 300.0450 -183649.4651 -149204.2647 298.4534 -40.9650 -8.3773 556950.4119 18.4157 18.4835 PRESSURE: 3764600 -17.2233 -64.3668 148.723 -64.3668 25.4914 6.86853 148.723 6.8693 -72.6332 GPRESSURE: 3764600 -34.5912 -67.6087 122.908 33.6064 69.5777 26.5743 114.393 -22.5474 -0.409666 PRESSAVG: 3764600 -30.7245 58.1212 -12.4725 58.1211 -16.3488 -45.1424 -12.4724 -45.1422 51.2326 GPRESSAVG: 3764600 -31.0393 58.7702 -13.1703 55.27 -15.5581 -47.9298 -11.3867 -44.4334 50.6289 TIMING: 3764600 CPU: 10907, 0.00285558/step Wall: 10907, 0.00285558/step, 0.97994 hours remaining, 212.144531 MB of memory in use. ENERGY: 3764600 737.6411 2101.4430 1955.8834 108.7342 -206338.4269 17903.8620 0.0000 0.0000 34256.8942 -149273.9689 299.1740 -183530.8631 -149173.0491 298.6947 -21.4550 11.5256 558565.0671 1.3864 1.3438 PRESSURE: 3764800 -130.217 64.3589 -62.1457 64.3589 -29.8928 -193.998 -62.1449 -193.998 -210.173 GPRESSURE: 3764800 -58.9806 73.7167 -117.3 69.204 -32.8629 -121.692 -69.1375 -178.817 -175.961 PRESSAVG: 3764800 -32.2126 11.1648 19.6409 11.1647 -7.81327 -71.1063 19.6409 -71.1064 70.1271 GPRESSAVG: 3764800 -31.587 8.39944 18.7268 13.476 -7.61423 -70.2044 20.0789 -70.3785 69.1713 TIMING: 3764800 CPU: 10907.5, 0.00285993/step Wall: 10907.5, 0.00285993/step, 0.981273 hours remaining, 212.144531 MB of memory in use. ENERGY: 3764800 759.8801 2088.2857 1924.4592 120.4003 -206052.4207 17592.7702 0.0000 0.0000 34165.2380 -149401.3872 298.3735 -183566.6253 -149309.7377 299.1189 -123.4276 -89.2682 558125.2051 10.0338 9.9900 PRESSURE: 3765000 -103.707 34.6842 -123.24 34.684 56.9055 5.71428 -123.239 5.71516 -140.301 GPRESSURE: 3765000 -108.011 53.709 -104.709 41.7947 115.592 99.1438 -83.9791 -25.2563 -81.4314 PRESSAVG: 3765000 70.48 22.7216 25.253 22.7216 -73.1316 -7.9397 25.2531 -7.93981 -9.52537 GPRESSAVG: 3765000 69.3403 25.255 27.9762 20.6534 -72.0199 -6.63003 23.4201 -9.67157 -9.4529 TIMING: 3765000 CPU: 10908.1, 0.0028546/step Wall: 10908.1, 0.0028546/step, 0.979285 hours remaining, 212.144531 MB of memory in use. ENERGY: 3765000 782.0443 2100.6674 1944.7252 117.7464 -206119.3008 17841.8956 0.0000 0.0000 34125.8759 -149206.3461 298.0298 -183332.2220 -149110.1131 298.7324 -62.3676 -24.6169 557881.8723 -4.0590 -4.0442 PRESSURE: 3765200 -61.7504 -28.4336 -177.214 -28.4322 -281.661 212.109 -177.213 212.107 -345.123 GPRESSURE: 3765200 -32.4071 0.427747 -123.742 2.9363 -258.876 175.15 -185.824 163.415 -302.621 PRESSAVG: 3765200 82.7731 0.372582 2.36474 0.372515 -72.4425 0.383536 2.36472 0.383427 4.91558 GPRESSAVG: 3765200 83.5148 -1.05311 0.884893 2.4507 -73.7253 -0.251283 2.95058 1.26455 5.83552 TIMING: 3765200 CPU: 10908.7, 0.00287608/step Wall: 10908.7, 0.00287608/step, 0.986494 hours remaining, 212.144531 MB of memory in use. ENERGY: 3765200 755.5404 2070.6837 1955.0545 114.3390 -205797.2204 17594.2249 0.0000 0.0000 34268.8062 -149038.5717 299.2780 -183307.3779 -148939.7052 299.1363 -229.5112 -197.9680 558156.8519 5.0820 5.2083 PRESSURE: 3765400 232.348 -220.931 10.8569 -220.931 -66.991 -21.9448 10.8578 -21.9463 -168.494 GPRESSURE: 3765400 226.619 -249.916 136.431 -138.516 -10.0937 -69.535 -51.3497 -22.8155 -128.086 PRESSAVG: 3765400 35.7988 5.21911 -0.72751 5.21911 2.11398 -11.8355 -0.727396 -11.8354 18.5041 GPRESSAVG: 3765400 35.0749 6.15476 0.944067 3.74969 2.36056 -12.3786 0.953646 -11.9625 18.6729 TIMING: 3765400 CPU: 10909.3, 0.00288618/step Wall: 10909.3, 0.00288618/step, 0.989799 hours remaining, 212.144531 MB of memory in use. ENERGY: 3765400 712.1477 2084.5575 1948.2978 129.9314 -205642.8251 17568.3966 0.0000 0.0000 34039.9895 -149159.5046 297.2797 -183199.4940 -149056.0299 299.1931 -1.0459 29.4795 556487.7542 18.8056 18.7028 PRESSURE: 3765600 213.879 -63.2104 78.9918 -63.2099 139.245 -94.9122 78.9919 -94.913 135.731 GPRESSURE: 3765600 201.581 -85.0613 99.2107 -21.2269 206.703 -115.417 148.317 -56.4239 170.779 PRESSAVG: 3765600 24.9057 15.9789 -23.2483 15.979 -30.7059 15.7272 -23.2484 15.7272 1.65698 GPRESSAVG: 3765600 25.4317 15.0038 -23.5673 17.5994 -31.759 17.3258 -24.4918 16.1449 1.96455 TIMING: 3765600 CPU: 10909.8, 0.00285326/step Wall: 10909.8, 0.00285326/step, 0.978351 hours remaining, 212.144531 MB of memory in use. ENERGY: 3765600 754.8655 2074.2698 1937.3756 111.4307 -206484.3005 18198.8347 0.0000 0.0000 34303.6845 -149103.8396 299.5826 -183407.5241 -149006.6152 299.4481 162.9517 193.0207 558462.6568 -1.3811 -1.4543 PRESSURE: 3765800 -61.4289 -58.5916 -114.977 -58.5914 -207.37 -42.2141 -114.977 -42.2135 49.8062 GPRESSURE: 3765800 -39.1003 -95.6275 -79.0486 8.83308 -170.422 -9.35704 -130.328 -59.9583 79.8825 PRESSAVG: 3765800 -20.1577 -12.3452 -25.4 -12.3451 -12.3433 1.88656 -25.4 1.88662 -19.9934 GPRESSAVG: 3765800 -20.3574 -10.3229 -25.7798 -12.5345 -12.2694 1.59 -24.5547 1.94584 -20.3185 TIMING: 3765800 CPU: 10910.4, 0.00285599/step Wall: 10910.4, 0.00285599/step, 0.979127 hours remaining, 212.144531 MB of memory in use. ENERGY: 3765800 733.3883 2043.6347 1961.1698 121.6436 -205852.0115 17628.2803 0.0000 0.0000 34080.0559 -149283.8390 297.6296 -183363.8949 -149187.4185 298.2226 -72.9975 -43.2134 558722.6170 -17.4981 -17.6484 PRESSURE: 3766000 -55.7303 -259.008 130.287 -259.008 -55.0276 72.9192 130.286 72.9183 197.576 GPRESSURE: 3766000 -12.2006 -301.907 96.0669 -273.521 -53.8026 85.6726 168.88 -37.3401 244.489 PRESSAVG: 3766000 -45.13 -36.3053 -5.85164 -36.3054 51.7806 -7.41508 -5.85164 -7.41505 10.8203 GPRESSAVG: 3766000 -46.6766 -39.785 -8.06995 -34.5332 52.8519 -8.86468 -4.86629 -7.7101 11.1068 TIMING: 3766000 CPU: 10911, 0.00285674/step Wall: 10911, 0.00285674/step, 0.979227 hours remaining, 212.144531 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: 3766000 718.8128 2123.5221 1945.5914 123.4430 -206401.6412 17848.7966 0.0000 0.0000 34222.0257 -149419.4495 298.8695 -183641.4752 -149323.3274 298.6904 28.9395 59.4952 556013.5369 5.8236 5.7607 PRESSURE: 3766200 -148.28 47.1562 33.036 47.1574 -193.265 122.816 33.0375 122.814 -120.307 GPRESSURE: 3766200 -125.739 -17.3577 64.4538 59.759 -127.309 108.962 -12.7533 79.3395 -111.724 PRESSAVG: 3766200 -72.1257 0.710859 2.29481 0.710913 50.3169 19.8346 2.2948 19.8346 57.0773 GPRESSAVG: 3766200 -72.061 1.38682 3.23776 -2.00163 48.9512 21.6432 3.14634 21.4896 58.9117 TIMING: 3766200 CPU: 10911.5, 0.00284732/step Wall: 10911.5, 0.00284732/step, 0.975839 hours remaining, 212.144531 MB of memory in use. ENERGY: 3766200 715.3410 2113.3878 1954.8900 105.1530 -206416.6809 17692.9823 0.0000 0.0000 34335.7505 -149499.1763 299.8626 -183834.9268 -149408.7961 298.0612 -153.9508 -121.5904 556076.4799 11.7562 11.9340 PRESSURE: 3766400 -292.768 60.2125 -74.3133 60.2115 176.279 -12.4851 -74.3126 -12.4845 -2.33744 GPRESSURE: 3766400 -274.898 81.9449 24.044 -9.35685 223.598 -80.0005 -132.663 83.2208 33.0869 PRESSAVG: 3766400 -15.0235 -19.1142 -42.1009 -19.1142 12.233 32.3471 -42.1009 32.347 -38.7496 GPRESSAVG: 3766400 -13.8913 -17.3341 -41.2143 -18.2665 12.6 33.2277 -45.1585 31.6006 -39.9261 TIMING: 3766400 CPU: 10912.1, 0.0028629/step Wall: 10912.1, 0.0028629/step, 0.98102 hours remaining, 212.144531 MB of memory in use. ENERGY: 3766400 729.5108 2079.9480 1980.9113 116.0622 -205964.9254 17550.5725 0.0000 0.0000 34122.5723 -149385.3482 298.0009 -183507.9205 -149285.6372 298.4527 -39.6088 -6.0710 555952.6888 -13.8467 -13.7392 PRESSURE: 3766600 -42.0025 -53.3993 -11.2781 -53.3995 1.40082 37.5718 -11.2758 37.571 81.8991 GPRESSURE: 3766600 12.8522 -19.3253 58.0816 -51.706 50.3724 26.8353 -99.1817 -18.5712 70.3283 PRESSAVG: 3766600 -0.490677 12.5057 -19.9566 12.5058 34.0981 57.76 -19.9566 57.76 37.6651 GPRESSAVG: 3766600 -0.277432 12.1153 -20.1766 13.1193 33.9841 59.1976 -18.6414 54.7942 37.8682 TIMING: 3766600 CPU: 10912.7, 0.00285809/step Wall: 10912.7, 0.00285809/step, 0.979213 hours remaining, 212.144531 MB of memory in use. ENERGY: 3766600 742.3517 2084.9993 1955.8150 113.3083 -206515.3835 17875.8388 0.0000 0.0000 34078.4894 -149664.5811 297.6159 -183743.0705 -149582.1891 298.3392 13.7658 44.5176 557371.7896 23.7575 23.8583 PRESSURE: 3766800 -169.738 36.4331 -49.7161 36.4334 173.217 149.764 -49.7157 149.763 105.201 GPRESSURE: 3766800 -196.489 38.0475 -20.5525 10.4613 205.627 172.118 6.28024 147.555 194.739 PRESSAVG: 3766800 -6.2088 15.0499 -20.671 15.0499 28.1215 18.6145 -20.671 18.6145 -9.11172 GPRESSAVG: 3766800 -6.46659 16.1006 -21.0542 13.0367 27.4046 15.8623 -22.5997 22.0368 -7.85959 TIMING: 3766800 CPU: 10913.3, 0.00285288/step Wall: 10913.3, 0.00285288/step, 0.97727 hours remaining, 212.144531 MB of memory in use. ENERGY: 3766800 741.3630 2076.5318 1948.1333 102.0291 -206602.4176 18124.2828 0.0000 0.0000 33821.6502 -149788.4274 295.3729 -183610.0776 -149688.0992 297.6505 36.2267 67.9590 557338.4130 4.2670 4.3595 PRESSURE: 3767000 314.007 -68.4536 -13.1474 -68.4531 -53.96 161.679 -13.1479 161.679 -267.95 GPRESSURE: 3767000 294.375 -44.0809 -25.7164 -25.9324 -29.8711 157.32 -133.003 202.482 -187.407 PRESSAVG: 3767000 -2.93826 23.124 0.559287 23.124 -7.2177 -12.4316 0.55931 -12.4317 -20.3847 GPRESSAVG: 3767000 -2.57625 22.3798 -0.437087 23.9293 -6.66916 -12.9111 2.73885 -13.2667 -21.2428 TIMING: 3767000 CPU: 10913.8, 0.00285798/step Wall: 10913.8, 0.00285798/step, 0.978859 hours remaining, 212.144531 MB of memory in use. ENERGY: 3767000 715.4752 2072.4156 1954.5727 122.3432 -206157.1898 17677.0496 0.0000 0.0000 33947.5389 -149667.7947 296.4723 -183615.3335 -149576.0786 297.4809 -2.6343 25.6989 557044.5548 -10.1802 -10.1627 PRESSURE: 3767200 -104.111 -39.7022 -75.4769 -39.7023 -21.4586 -109.56 -75.4766 -109.559 115.846 GPRESSURE: 3767200 -49.8273 -48.9195 -8.03705 -74.5939 -15.9803 -161.415 -151.475 -110.177 155.703 PRESSAVG: 3767200 -13.2277 -13.5908 -31.2615 -13.5908 28.7011 7.88847 -31.2615 7.8885 -46.1084 GPRESSAVG: 3767200 -12.7667 -12.7708 -31.0558 -13.4574 27.5363 9.75224 -31.3647 7.27771 -45.6403 TIMING: 3767200 CPU: 10914.4, 0.0028605/step Wall: 10914.4, 0.0028605/step, 0.979562 hours remaining, 212.144531 MB of memory in use. ENERGY: 3767200 736.7578 2061.8141 1935.1776 107.0201 -206289.4208 17908.1847 0.0000 0.0000 33999.1731 -149541.2934 296.9232 -183540.4665 -149446.2788 297.7325 -3.2412 29.9652 557985.1924 -10.2117 -10.2902 PRESSURE: 3767400 -243.369 67.7612 -26.8458 67.7609 -194.165 -24.3627 -26.8451 -24.3628 16.6278 GPRESSURE: 3767400 -180.604 66.1988 -53.0788 52.3082 -160.54 -58.9138 67.203 -24.8504 18.2747 PRESSAVG: 3767400 36.0496 -30.5665 -2.83149 -30.5665 -65.6194 24.7357 -2.83146 24.7359 13.7863 GPRESSAVG: 3767400 35.881 -32.2929 -2.45192 -31.8171 -64.8527 23.7763 -3.27414 26.0055 12.9661 TIMING: 3767400 CPU: 10915, 0.00288119/step Wall: 10915, 0.00288119/step, 0.986488 hours remaining, 212.144531 MB of memory in use. ENERGY: 3767400 734.8326 2038.9300 1968.5048 104.2920 -205677.6641 17440.6663 0.0000 0.0000 34145.3900 -149245.0484 298.2002 -183390.4384 -149160.0930 297.7317 -140.3021 -107.6230 558519.2252 -5.2611 -5.3352 PRESSURE: 3767600 -100.267 -9.90898 -32.9342 -9.90921 10.331 120.069 -32.9359 120.07 234.654 GPRESSURE: 3767600 -70.9009 -43.7165 -75.6013 1.95653 34.5889 101.372 -61.0642 110.212 264.162 PRESSAVG: 3767600 36.6579 -1.57444 -48.759 -1.57446 -25.923 33.3108 -48.7591 33.3108 -22.0099 GPRESSAVG: 3767600 36.1205 -0.682497 -49.2246 -0.855982 -25.2903 32.4651 -47.0091 32.8475 -22.1036 TIMING: 3767600 CPU: 10915.5, 0.00287272/step Wall: 10915.5, 0.00287272/step, 0.983427 hours remaining, 212.144531 MB of memory in use. ENERGY: 3767600 734.1662 2087.4207 1953.2602 99.2915 -206309.3016 18023.5136 0.0000 0.0000 34186.0100 -149225.6394 298.5549 -183411.6494 -149135.3582 299.0543 48.2393 75.9501 557263.0686 -3.7583 -3.7578 PRESSURE: 3767800 -159.478 94.0861 75.1824 94.086 -308.661 139.004 75.1833 139.003 -269.941 GPRESSURE: 3767800 -131.595 119.129 -37.1671 172.594 -264.864 89.7039 82.0002 122.88 -248.104 PRESSAVG: 3767800 -7.89284 -29.6055 28.0829 -29.6057 -36.5517 26.7168 28.0829 26.7168 -3.96584 GPRESSAVG: 3767800 -7.45243 -31.1219 28.5171 -30.3374 -36.7124 25.8568 27.5113 27.7803 -4.31411 TIMING: 3767800 CPU: 10916.1, 0.00285246/step Wall: 10916.1, 0.00285245/step, 0.976331 hours remaining, 212.144531 MB of memory in use. ENERGY: 3767800 719.6109 2097.8062 1922.8024 104.8105 -205449.9877 17408.0186 0.0000 0.0000 33929.6979 -149267.2411 296.3165 -183196.9391 -149169.9330 299.0208 -246.0269 -214.8544 560321.7153 -16.1368 -16.1596 PRESSURE: 3768000 -151.763 41.9693 93.5059 41.9697 -196.735 107.308 93.5059 107.308 -118.508 GPRESSURE: 3768000 -132.986 97.722 53.3916 87.3317 -101.93 -72.1967 132.748 133.558 -125.629 PRESSAVG: 3768000 -35.6603 3.39656 42.3242 3.39657 48.5035 63.3637 42.3243 63.3637 -2.11646 GPRESSAVG: 3768000 -36.2105 4.52289 42.6769 4.33717 48.824 65.0521 40.981 62.7651 -1.87357 TIMING: 3768000 CPU: 10916.7, 0.00286471/step Wall: 10916.7, 0.00286471/step, 0.980368 hours remaining, 212.144531 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: 3768000 764.1712 2041.3476 1945.6180 114.3292 -205961.6018 17800.4409 0.0000 0.0000 34276.0234 -149019.6714 299.3410 -183295.6948 -148923.6003 299.0718 -155.6686 -120.1815 559847.0704 3.5756 3.5799 PRESSURE: 3768200 90.5908 23.7559 -18.109 23.7545 -55.7049 -20.0957 -18.1089 -20.0966 -62.62 GPRESSURE: 3768200 117.191 -22.2368 74.9412 39.617 -51.6742 -49.5341 -3.4396 -30.9246 6.22962 PRESSAVG: 3768200 9.50608 -0.785896 37.0629 -0.785811 40.8593 -26.0993 37.0628 -26.0993 -56.0514 GPRESSAVG: 3768200 9.96956 -1.86649 37.8731 1.23769 40.6006 -27.8549 38.6316 -24.7349 -55.852 TIMING: 3768200 CPU: 10917.3, 0.00287391/step Wall: 10917.3, 0.00287391/step, 0.983355 hours remaining, 212.347656 MB of memory in use. ENERGY: 3768200 758.0209 2089.6709 1948.3701 109.5786 -206355.0365 18071.6630 0.0000 0.0000 34364.1519 -149013.5811 300.1107 -183377.7330 -148916.0705 299.2792 -9.2447 23.9155 558629.0999 -1.8954 -1.7606 LDB: ============= START OF LOAD BALANCING ============== 10920.7 LDB: ============== END OF LOAD BALANCING =============== 10920.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10920.7 LDB: ============= START OF LOAD BALANCING ============== 10920.9 LDB: Largest compute 4792 load 0.027010 is 22.9% of average load 0.117998 LDB: Average compute 0.001724 is 1.5% of average load 0.117998 LDB: TIME 10920.9 LOAD: AVG 0.117998 MAX 0.177991 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.148 MB LDB: TIME 10920.9 LOAD: AVG 0.117998 MAX 0.177991 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.148 MB LDB: TIME 10920.9 LOAD: AVG 0.117998 MAX 0.177991 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.148 MB LDB: ============== END OF LOAD BALANCING =============== 10921 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10921 PRESSURE: 3768400 -152.771 0.363636 57.5184 0.363189 -53.1021 -60.8685 57.5167 -60.868 69.7282 GPRESSURE: 3768400 -68.6376 -43.0598 61.3293 23.9621 -27.6362 -57.9459 65.2389 -126.071 55.7319 PRESSAVG: 3768400 2.90151 37.8895 -38.3029 37.8895 -24.8199 -5.33749 -38.3029 -5.3375 19.2529 GPRESSAVG: 3768400 3.57277 40.521 -39.5924 34.7805 -25.5948 -2.98805 -38.5743 -7.80115 19.6307 TIMING: 3768400 CPU: 10917.9, 0.00295784/step Wall: 10917.9, 0.00295784/step, 1.01191 hours remaining, 211.226562 MB of memory in use. ENERGY: 3768400 712.7001 2070.1834 1935.8339 124.3986 -205885.7357 17715.3439 0.0000 0.0000 34472.2269 -148855.0489 301.0545 -183327.2758 -148763.7158 299.6455 -45.3817 -13.5139 557321.0031 -0.8885 -0.7971 PRESSURE: 3768600 -145.898 82.2872 102.445 82.2865 -308.243 -12.0263 102.445 -12.027 115.536 GPRESSURE: 3768600 -104.766 81.7802 -12.882 94.9961 -310.533 7.22913 102.031 28.8801 159.195 PRESSAVG: 3768600 4.24162 116.152 -20.8024 116.152 -49.9552 6.90993 -20.8024 6.91001 56.6367 GPRESSAVG: 3768600 3.21541 115.322 -18.903 117.851 -49.9303 6.67566 -22.3541 8.44478 57.6333 TIMING: 3768600 CPU: 10918.4, 0.00288016/step Wall: 10918.4, 0.00288016/step, 0.985173 hours remaining, 211.425781 MB of memory in use. ENERGY: 3768600 738.0820 2089.0469 1930.3487 112.0419 -205613.4753 17528.1539 0.0000 0.0000 34218.3250 -148997.4769 298.8371 -183215.8020 -148902.0346 299.7636 -112.8683 -85.3678 557984.5267 3.6410 3.6395 PRESSURE: 3768800 -22.5479 -33.9867 78.7451 -33.986 0.192508 77.8525 78.7459 77.8529 -333.356 GPRESSURE: 3768800 -42.6563 -62.3264 94.9714 -1.26985 45.6289 152.43 85.321 30.6686 -268.144 PRESSAVG: 3768800 16.2647 38.1957 62.8748 38.1958 -85.7421 -26.1402 62.8748 -26.1402 24.2711 GPRESSAVG: 3768800 17.6388 34.3823 63.5901 38.6239 -85.843 -25.4781 63.8372 -27.1524 23.0325 TIMING: 3768800 CPU: 10919, 0.002885/step Wall: 10919, 0.002885/step, 0.986671 hours remaining, 211.425781 MB of memory in use. ENERGY: 3768800 733.5426 2099.6154 1941.0857 126.6244 -205938.3872 17633.0924 0.0000 0.0000 34206.0505 -149198.3763 298.7299 -183404.4268 -149099.2428 299.4742 -118.5704 -88.3903 557701.3783 -15.0688 -15.0572 PRESSURE: 3769000 -108.885 24.1555 -140.482 24.1567 -376.82 27.1835 -140.482 27.1836 -257.4 GPRESSURE: 3769000 -65.0784 83.4246 -219.076 -15.9211 -363.569 4.11805 -98.583 -33.4331 -208.965 PRESSAVG: 3769000 41.4701 2.72574 5.419 2.72578 -59.7303 7.38792 5.419 7.38786 20.2809 GPRESSAVG: 3769000 40.4366 5.00663 3.69405 2.79075 -61.5107 6.56193 4.86599 5.822 22.5071 TIMING: 3769000 CPU: 10919.6, 0.00286232/step Wall: 10919.6, 0.00286232/step, 0.978754 hours remaining, 211.425781 MB of memory in use. ENERGY: 3769000 735.5916 2064.8582 1950.8530 112.1763 -205582.6774 17398.9361 0.0000 0.0000 34221.9724 -149098.2899 298.8690 -183320.2623 -148995.5799 299.2687 -247.7017 -212.5374 556375.4311 0.6736 0.4777 PRESSURE: 3769200 -112.789 187.452 50.3996 187.453 7.33622 -50.5932 50.3998 -50.5945 -21.8179 GPRESSURE: 3769200 -81.4303 185.534 23.9768 109.1 16.2996 2.52763 30.8635 -48.1939 31.3892 PRESSAVG: 3769200 39.6766 -18.6927 18.3301 -18.6929 24.2519 -37.9328 18.3301 -37.9327 -11.7598 GPRESSAVG: 3769200 39.1311 -18.3047 18.1934 -19.4971 26.2923 -37.79 19.3125 -37.0807 -13.0167 TIMING: 3769200 CPU: 10920.2, 0.00286533/step Wall: 10920.2, 0.00286533/step, 0.979624 hours remaining, 211.425781 MB of memory in use. ENERGY: 3769200 748.5404 2105.1253 1937.0947 109.6986 -206126.3404 17854.2033 0.0000 0.0000 34211.2577 -149160.4203 298.7754 -183371.6780 -149066.0327 299.3527 -42.4237 -11.2472 557466.0257 17.3896 17.4689 PRESSURE: 3769400 126.727 -99.9649 119.533 -99.965 277.144 47.3533 119.531 47.3541 -274.046 GPRESSURE: 3769400 150.516 -65.0703 67.6331 -149.235 314.818 47.2493 103.529 74.8197 -249.238 PRESSAVG: 3769400 3.82914 9.31391 31.0214 9.31387 34.1975 -29.514 31.0214 -29.514 -0.422223 GPRESSAVG: 3769400 3.92472 8.84154 31.6778 9.80137 33.767 -28.7354 30.1409 -29.3045 -0.364003 TIMING: 3769400 CPU: 10920.7, 0.00287944/step Wall: 10920.7, 0.00287944/step, 0.98429 hours remaining, 211.425781 MB of memory in use. ENERGY: 3769400 725.9158 2087.9424 1941.6273 117.7575 -206108.2471 17875.5457 0.0000 0.0000 34189.9071 -149169.5512 298.5890 -183359.4583 -149071.4812 298.8962 43.2749 72.0318 558937.3309 12.5348 12.4426 PRESSURE: 3769600 -65.3367 -91.3385 -29.5455 -91.3398 114.196 163.714 -29.5453 163.715 -30.2025 GPRESSURE: 3769600 -19.9138 -45.9102 35.1593 -52.6559 104.969 65.3454 -67.2606 190.66 33.6649 PRESSAVG: 3769600 -27.2576 32.0459 36.1078 32.046 29.2896 67.368 36.1077 67.3679 -27.0171 GPRESSAVG: 3769600 -26.3878 32.6365 37.1245 31.4295 30.6736 65.8745 35.9653 69.6173 -28.0672 TIMING: 3769600 CPU: 10921.3, 0.00288695/step Wall: 10921.3, 0.00288695/step, 0.986696 hours remaining, 211.425781 MB of memory in use. ENERGY: 3769600 714.8327 2069.2883 1926.0595 113.9517 -205897.8753 17607.0900 0.0000 0.0000 34449.6893 -149016.9637 300.8577 -183466.6530 -148925.3110 298.2777 6.2190 39.5733 558144.1342 -8.3284 -7.9271 PRESSURE: 3769800 -46.3861 59.5958 -113.013 59.5956 -16.5143 92.2783 -113.013 92.2776 -262.016 GPRESSURE: 3769800 -34.3052 109.731 -64.2879 77.0689 27.4423 98.2783 -143.779 114.511 -210.492 PRESSAVG: 3769800 3.71482 12.3047 1.68041 12.3046 68.748 25.7973 1.6804 25.7974 -73.6476 GPRESSAVG: 3769800 4.58119 11.6377 -2.4697 14.0463 69.0863 27.5657 3.18416 23.1728 -73.9795 TIMING: 3769800 CPU: 10921.9, 0.00287503/step Wall: 10921.9, 0.00287503/step, 0.982462 hours remaining, 211.496094 MB of memory in use. ENERGY: 3769800 755.4318 2045.1778 1923.7807 122.4719 -205795.1608 17534.5518 0.0000 0.0000 34329.5749 -149084.1719 299.8087 -183413.7468 -148991.7069 299.0275 -108.3056 -72.4518 558711.6867 -0.3949 -0.1040 PRESSURE: 3770000 39.2091 33.1694 213.702 33.1697 -130.344 -210.263 213.703 -210.264 184.968 GPRESSURE: 3770000 66.5934 58.9923 212.28 -35.1437 -59.9453 -117.848 136.927 -275.881 191.359 PRESSAVG: 3770000 52.772 18.8458 55.0841 18.8459 -35.8926 70.5765 55.0841 70.5766 -9.33053 GPRESSAVG: 3770000 52.0534 18.2504 57.741 17.529 -35.7242 70.588 52.519 71.2123 -8.6491 TIMING: 3770000 CPU: 10922.5, 0.00285936/step Wall: 10922.5, 0.00285936/step, 0.976949 hours remaining, 211.496094 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: 3770000 737.5873 2096.7344 1944.7802 108.2277 -205841.7733 17760.6655 0.0000 0.0000 34298.3418 -148895.4363 299.5359 -183193.7781 -148800.4060 299.2974 31.2775 66.0023 559560.9988 2.5163 2.5600 PRESSURE: 3770200 -123.396 30.464 70.2181 30.4645 -5.0209 -153.429 70.2183 -153.43 -131.643 GPRESSURE: 3770200 -62.5464 -70.7942 98.7648 30.7215 68.8867 -99.5259 22.3826 -110.894 -164.943 PRESSAVG: 3770200 66.1512 58.0021 51.3994 58.0021 -73.67 -68.248 51.3994 -68.248 25.5179 GPRESSAVG: 3770200 65.725 58.3906 51.6102 59.5172 -72.6842 -68.778 53.3484 -68.2655 25.0102 TIMING: 3770200 CPU: 10923, 0.00286251/step Wall: 10923, 0.00286251/step, 0.977865 hours remaining, 211.496094 MB of memory in use. ENERGY: 3770200 773.2103 2112.4639 1917.7780 110.5481 -205815.7225 17617.4953 0.0000 0.0000 34343.0788 -148941.1483 299.9266 -183284.2270 -148845.1762 299.4392 -86.6865 -52.8675 558435.3080 5.9997 6.0170 PRESSURE: 3770400 -27.8964 35.6373 -44.6154 35.6372 45.8987 11.5329 -44.615 11.531 -111.141 GPRESSURE: 3770400 31.342 93.9049 -71.0027 46.916 102.325 15.329 21.6606 15.0156 -114.981 PRESSAVG: 3770400 19.6188 -4.23825 58.6593 -4.23813 38.6134 15.9332 58.6593 15.9331 -69.9657 GPRESSAVG: 3770400 18.4919 -3.4651 57.6884 -5.00546 38.6433 16.3268 58.8874 14.8117 -69.1398 TIMING: 3770400 CPU: 10923.6, 0.0028928/step Wall: 10923.6, 0.0028928/step, 0.98805 hours remaining, 211.496094 MB of memory in use. ENERGY: 3770400 767.9991 2066.8672 1916.2510 118.0096 -206266.5028 17919.3474 0.0000 0.0000 34538.2507 -148939.7779 301.6311 -183478.0286 -148839.7267 300.2500 -31.0463 6.2288 558999.3574 -3.9112 -4.0015 PRESSURE: 3770600 -36.8203 61.4289 21.2676 61.4307 111.329 1.33245 21.2681 1.33295 163.22 GPRESSURE: 3770600 -8.37896 92.1028 -16.1721 92.3379 117.26 2.61852 104.624 -64.0649 213.639 PRESSAVG: 3770600 -0.962849 -67.101 21.4423 -67.1012 13.7595 -1.88772 21.4423 -1.8876 10.9994 GPRESSAVG: 3770600 -0.0280444 -67.9377 20.3039 -65.9082 13.5375 -1.22424 22.4796 -2.35446 10.6418 TIMING: 3770600 CPU: 10924.2, 0.00288991/step Wall: 10924.2, 0.00288991/step, 0.986903 hours remaining, 211.496094 MB of memory in use. ENERGY: 3770600 757.3103 2135.2506 1968.9842 105.7440 -206310.8226 17892.1184 0.0000 0.0000 34470.7107 -148980.7044 301.0413 -183451.4151 -148881.8307 300.1537 79.2429 107.5066 558316.6511 7.9320 8.0504 PRESSURE: 3770800 46.2778 93.0234 46.7948 93.0227 167.898 -54.7001 46.7953 -54.7012 104.935 GPRESSURE: 3770800 101.199 83.7947 -20.3127 112.064 204.034 -175.919 63.7722 -53.1648 127.623 PRESSAVG: 3770800 16.5878 -16.9652 1.18803 -16.9651 -3.78887 -28.7837 1.18803 -28.7837 22.3067 GPRESSAVG: 3770800 16.2269 -16.4469 3.41875 -17.4056 -4.36909 -30.0091 -0.539834 -27.7066 23.3051 TIMING: 3770800 CPU: 10924.8, 0.00287755/step Wall: 10924.8, 0.00287755/step, 0.982524 hours remaining, 211.496094 MB of memory in use. ENERGY: 3770800 765.2572 2104.2015 1933.0622 113.5968 -206366.4899 18166.5987 0.0000 0.0000 34197.6427 -149086.1308 298.6565 -183283.7735 -148986.1511 299.9268 106.3700 144.2853 559478.0916 11.7019 11.7210 PRESSURE: 3771000 -161.531 -70.404 -165.766 -70.4049 -37.4073 -14.1795 -165.765 -14.1789 -178.81 GPRESSURE: 3771000 -109.973 0.484212 -77.4756 -70.4425 -19.648 -22.0933 -180.163 28.7031 -144.327 PRESSAVG: 3771000 -36.5729 -17.345 -21.0874 -17.345 36.9334 -22.0871 -21.0875 -22.0871 9.3582 GPRESSAVG: 3771000 -36.6095 -18.4225 -21.0364 -16.5824 37.3849 -21.6815 -20.7452 -22.2551 8.58869 TIMING: 3771000 CPU: 10925.3, 0.00289095/step Wall: 10925.3, 0.00289095/step, 0.98694 hours remaining, 211.496094 MB of memory in use. ENERGY: 3771000 788.4743 2121.1598 1948.9603 114.9335 -206127.7629 17795.6524 0.0000 0.0000 34182.2261 -149176.3564 298.5219 -183358.5826 -149085.8131 298.9236 -125.9164 -91.3161 558122.6690 3.2396 3.1214 PRESSURE: 3771200 18.3817 -52.8866 55.4657 -52.8865 -123.225 78.8925 55.4654 78.8919 -325.896 GPRESSURE: 3771200 75.361 -83.3272 43.7393 25.3661 -105.499 61.2548 42.4451 131.129 -295.316 PRESSAVG: 3771200 -4.103 -7.39229 -31.3646 -7.39239 26.0065 -12.4535 -31.3645 -12.4536 -4.22712 GPRESSAVG: 3771200 -3.21697 -6.4812 -31.3841 -8.82119 25.5468 -13.4331 -30.0473 -10.6809 -4.31059 TIMING: 3771200 CPU: 10925.9, 0.00290383/step Wall: 10925.9, 0.00290383/step, 0.991175 hours remaining, 211.496094 MB of memory in use. ENERGY: 3771200 743.4280 2155.5240 1935.8819 123.5646 -206201.9452 17742.0689 0.0000 0.0000 34338.0394 -149163.4384 299.8826 -183501.4778 -149064.6675 299.2736 -143.5794 -108.4846 558321.1313 5.8921 6.0064 PRESSURE: 3771400 45.33 -120.728 17.2474 -120.727 104.394 71.7838 17.2476 71.784 -107.667 GPRESSURE: 3771400 47.0356 -184.081 60.9734 -127.961 146.846 107.03 89.5519 10.5109 -54.2505 PRESSAVG: 3771400 18.3965 -23.6742 38.2212 -23.6742 56.5914 8.26712 38.2212 8.26711 -65.7226 GPRESSAVG: 3771400 17.3355 -24.7266 36.8754 -22.6806 57.1794 10.7046 37.2144 5.30587 -65.6797 TIMING: 3771400 CPU: 10926.5, 0.00290391/step Wall: 10926.5, 0.00290391/step, 0.991039 hours remaining, 211.496094 MB of memory in use. ENERGY: 3771400 757.3105 2120.4015 1942.8217 130.6373 -206387.3956 17996.2585 0.0000 0.0000 34170.2172 -149269.7489 298.4170 -183439.9661 -149172.1196 299.1044 14.0191 46.5437 558138.9929 3.0884 2.9451 PRESSURE: 3771600 -170.607 109.885 -5.24792 109.885 -75.0021 -254.911 -5.2478 -254.909 120.229 GPRESSURE: 3771600 -121.879 101.422 42.5268 142.012 -10.2078 -272.04 33.5184 -178.716 111.507 PRESSAVG: 3771600 -18.7958 -2.12189 0.945739 -2.12188 56.1248 -61.8391 0.945947 -61.839 -44.9285 GPRESSAVG: 3771600 -17.8595 -2.04208 2.31751 -2.26356 55.6183 -62.3479 -0.144653 -59.1525 -45.4224 TIMING: 3771600 CPU: 10927.1, 0.00287283/step Wall: 10927.1, 0.00287284/step, 0.980275 hours remaining, 211.496094 MB of memory in use. ENERGY: 3771600 725.5856 2065.8171 1932.4315 119.0667 -205946.4071 17687.1774 0.0000 0.0000 34106.5071 -149309.8216 297.8606 -183416.3287 -149208.1653 298.3965 -41.7933 -6.8600 558315.7198 -2.5331 -2.5545 PRESSURE: 3771800 99.7455 -13.9468 -66.0132 -13.9465 -363.323 100.722 -66.0132 100.721 -72.7303 GPRESSURE: 3771800 51.9514 80.0694 -64.1427 -33.5898 -282.093 30.1097 -106.753 100.369 -13.9453 PRESSAVG: 3771800 -36.0768 65.9706 -37.3914 65.9706 61.5107 -17.9952 -37.3916 -17.9952 -24.3306 GPRESSAVG: 3771800 -36.6531 67.4112 -37.5875 63.3874 62.0103 -17.5893 -37.3709 -18.511 -24.0674 TIMING: 3771800 CPU: 10927.7, 0.00289184/step Wall: 10927.7, 0.00289184/step, 0.986599 hours remaining, 211.496094 MB of memory in use. ENERGY: 3771800 782.3032 2072.9631 1940.0734 118.3142 -206024.9186 17591.5085 0.0000 0.0000 34129.0110 -149390.7452 298.0571 -183519.7562 -149286.4963 298.3958 -112.1025 -81.3622 555758.7545 0.3678 0.4299 PRESSURE: 3772000 -238.11 45.5998 -70.4584 45.5994 -91.2922 143.594 -70.4599 143.593 193.759 GPRESSURE: 3772000 -186.268 82.7891 -130.57 -13.2431 -49.8041 139.185 -9.38331 155.399 195.876 PRESSAVG: 3772000 -2.63601 -45.6101 27.3527 -45.6101 -33.9868 15.1168 27.3526 15.1167 4.70108 GPRESSAVG: 3772000 -2.06464 -45.5367 25.7581 -43.55 -34.507 15.4118 28.6255 13.8112 4.09598 TIMING: 3772000 CPU: 10928.2, 0.00287332/step Wall: 10928.2, 0.00287332/step, 0.980121 hours remaining, 211.496094 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: 3772000 791.4905 2046.8089 1970.2548 114.9593 -206368.6600 17774.8862 0.0000 0.0000 34234.1937 -149436.0666 298.9757 -183670.2604 -149336.2005 298.8514 -45.2147 -13.3986 556881.8437 -10.6406 -10.8252 PRESSURE: 3772200 -18.5325 18.6548 -127.488 18.6542 43.9676 120.582 -127.488 120.582 68.9579 GPRESSURE: 3772200 30.8788 -17.0437 -182.848 19.2289 65.5127 68.6418 -62.7668 170.029 82.7257 PRESSAVG: 3772200 -25.7097 -35.5177 -0.678826 -35.5178 47.815 62.4942 -0.67883 62.4942 -19.4179 GPRESSAVG: 3772200 -26.1478 -37.0552 0.298712 -33.8532 47.9704 59.9245 -1.11955 63.8398 -18.8766 TIMING: 3772200 CPU: 10928.8, 0.00287521/step Wall: 10928.8, 0.00287521/step, 0.980605 hours remaining, 211.496094 MB of memory in use. ENERGY: 3772200 724.6287 2021.5767 1964.5827 109.9973 -206430.9407 17990.7919 0.0000 0.0000 34085.7368 -149533.6266 297.6792 -183619.3634 -149437.8940 298.3793 31.4643 59.7057 557320.7196 0.8958 0.9820 LDB: ============= START OF LOAD BALANCING ============== 10932.2 LDB: ============== END OF LOAD BALANCING =============== 10932.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10932.2 LDB: ============= START OF LOAD BALANCING ============== 10932.5 LDB: Largest compute 4794 load 0.024850 is 21.0% of average load 0.118073 LDB: Average compute 0.001726 is 1.5% of average load 0.118073 LDB: TIME 10932.5 LOAD: AVG 0.118073 MAX 0.178432 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.715 MB LDB: TIME 10932.5 LOAD: AVG 0.118073 MAX 0.178432 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.715 MB LDB: TIME 10932.5 LOAD: AVG 0.118073 MAX 0.178432 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.715 MB LDB: ============== END OF LOAD BALANCING =============== 10932.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10932.5 PRESSURE: 3772400 -153.942 -130.584 -87.2201 -130.585 -135.274 221.664 -87.2213 221.664 386.142 GPRESSURE: 3772400 -150.164 -34.0903 -38.2892 -162.003 -113.954 197.393 -60.0444 228.163 444.919 PRESSAVG: 3772400 -30.5185 28.1991 30.4679 28.1991 5.57155 40.9664 30.4679 40.9665 75.6421 GPRESSAVG: 3772400 -30.4642 29.2171 30.3953 28.0784 4.62534 42.9214 29.1294 40.5112 76.7727 TIMING: 3772400 CPU: 10929.4, 0.00295816/step Wall: 10929.4, 0.00295816/step, 1.00873 hours remaining, 210.976562 MB of memory in use. ENERGY: 3772400 713.6286 2048.2157 1957.7441 113.2519 -206295.4651 17938.3010 0.0000 0.0000 34387.0567 -149137.2671 300.3107 -183524.3238 -149048.1189 298.5565 32.3084 60.2670 558264.8102 16.8984 16.9780 PRESSURE: 3772600 -95.6515 -72.2227 73.3895 -72.2225 45.0785 54.4803 73.3901 54.4798 72.1176 GPRESSURE: 3772600 -78.5327 -49.5432 34.386 -3.39918 81.9757 60.7119 47.418 50.1659 110.513 PRESSAVG: 3772600 -40.9564 -17.1477 37.4447 -17.1477 34.0528 66.6085 37.4447 66.6085 6.52736 GPRESSAVG: 3772600 -41.1726 -18.3449 36.1103 -18.0003 35.5599 65.9221 39.0921 66.9388 5.43315 TIMING: 3772600 CPU: 10930, 0.00289056/step Wall: 10930, 0.00289056/step, 0.985521 hours remaining, 210.976562 MB of memory in use. ENERGY: 3772600 759.9498 2031.8895 1939.3383 117.0665 -205842.3528 17843.7336 0.0000 0.0000 34061.7506 -149088.6246 297.4697 -183150.3752 -148989.7436 299.1506 7.1815 37.9853 558879.4700 -0.1254 -0.0598 PRESSURE: 3772800 -26.7796 -38.4687 61.2769 -38.469 -133.501 -132.91 61.2773 -132.909 -50.9684 GPRESSURE: 3772800 -19.8179 19.6825 35.9889 -15.237 -109.011 -137.973 95.171 -13.223 6.03715 PRESSAVG: 3772800 1.14047 29.9583 22.6257 29.9583 19.3763 -34.3147 22.6257 -34.3146 -19.8648 GPRESSAVG: 3772800 1.86009 30.1584 22.8225 28.6918 18.8383 -31.9954 23.2904 -33.8475 -19.7787 TIMING: 3772800 CPU: 10930.6, 0.0029149/step Wall: 10930.6, 0.0029149/step, 0.993657 hours remaining, 210.976562 MB of memory in use. ENERGY: 3772800 765.6743 2038.9999 1946.1683 110.8788 -206311.3491 17968.8897 0.0000 0.0000 34399.7128 -149081.0252 300.4212 -183480.7380 -148981.3448 299.7806 -70.4164 -40.9305 558353.7556 0.2173 0.3066 PRESSURE: 3773000 -205.917 -117.916 73.245 -117.915 -143.492 -247.799 73.2446 -247.798 -73.7351 GPRESSURE: 3773000 -151.462 -58.2589 44.9952 -55.2363 -120.097 -205.942 39.585 -238.462 -45.0207 PRESSAVG: 3773000 7.00712 -9.0286 -6.66841 -9.02864 -8.9762 -14.8515 -6.66843 -14.8516 -17.8079 GPRESSAVG: 3773000 6.79375 -7.55379 -7.26713 -8.56347 -8.15774 -18.0241 -6.54199 -13.3071 -18.5194 TIMING: 3773000 CPU: 10931.1, 0.00289006/step Wall: 10931.1, 0.00289006/step, 0.985027 hours remaining, 210.976562 MB of memory in use. ENERGY: 3773000 741.0549 2140.5884 1984.5636 111.0860 -206215.7693 17725.5545 0.0000 0.0000 34326.2226 -149186.6993 299.7794 -183512.9218 -149100.6159 299.6318 -141.0483 -105.5266 557601.6624 -6.5923 -6.6278 PRESSURE: 3773200 -81.8918 73.0909 46.6448 73.0899 -37.9985 -156.048 46.647 -156.049 136.378 GPRESSURE: 3773200 -33.5228 27.3886 30.5084 118.444 13.2529 -138.29 87.1616 -230.38 129.935 PRESSAVG: 3773200 21.653 -29.8749 -12.1731 -29.875 -48.1143 -62.7708 -12.1732 -62.7709 17.0051 GPRESSAVG: 3773200 22.4043 -30.9294 -12.1613 -30.9517 -48.4975 -62.607 -13.2695 -66.0751 16.4701 TIMING: 3773200 CPU: 10931.7, 0.00287674/step Wall: 10931.7, 0.00287674/step, 0.980328 hours remaining, 210.976562 MB of memory in use. ENERGY: 3773200 712.9464 2060.3048 1948.1916 112.2180 -206309.9206 17794.2251 0.0000 0.0000 34358.4663 -149323.5684 300.0610 -183682.0348 -149228.6005 299.2630 5.4958 36.5551 557626.5471 -3.1521 -3.2077 PRESSURE: 3773400 50.682 2.71842 -31.4391 2.71956 -67.2088 -5.39236 -31.439 -5.39174 -34.731 GPRESSURE: 3773400 59.7212 -95.2003 -69.0625 -4.32151 11.7928 74.9897 -29.8165 37.2775 -22.4752 PRESSAVG: 3773400 -42.8763 -29.9123 58.1278 -29.9123 32.9114 15.8951 58.1276 15.8951 28.4919 GPRESSAVG: 3773400 -43.6188 -31.1315 58.1788 -26.9102 33.0221 14.7843 59.1624 16.9679 29.6202 TIMING: 3773400 CPU: 10932.3, 0.00289564/step Wall: 10932.3, 0.00289564/step, 0.98661 hours remaining, 210.976562 MB of memory in use. ENERGY: 3773400 737.6250 2030.0121 1963.1008 108.4825 -206170.5562 17624.4714 0.0000 0.0000 34293.4551 -149413.4093 299.4933 -183706.8644 -149314.0081 298.5103 -17.0859 16.3463 557030.0120 6.1757 6.3412 PRESSURE: 3773600 188.243 124.908 205.845 124.908 -68.0752 77.3388 205.847 77.3388 -77.6336 GPRESSURE: 3773600 247.442 33.835 236.793 159.072 -52.448 71.2325 171.883 64.8556 -54.0515 PRESSAVG: 3773600 22.467 -28.144 38.6622 -28.144 -5.83334 -26.4192 38.6623 -26.4191 -32.6873 GPRESSAVG: 3773600 23.3555 -27.0171 41.448 -30.2005 -5.2867 -25.5582 36.8132 -25.6364 -34.0463 TIMING: 3773600 CPU: 10932.9, 0.00286924/step Wall: 10932.9, 0.00286924/step, 0.977454 hours remaining, 210.976562 MB of memory in use. ENERGY: 3773600 752.5795 2102.5716 1903.0916 113.0571 -206359.0085 18001.8192 0.0000 0.0000 34130.9261 -149354.9633 298.0739 -183485.8894 -149259.6213 299.2945 14.1782 46.9810 557260.4739 -5.3512 -5.3258 PRESSURE: 3773800 -89.9261 29.4157 147.662 29.4156 -219.525 -183.403 147.662 -183.403 14.636 GPRESSURE: 3773800 -100.18 94.2756 46.943 28.9564 -173.335 -117.731 177.673 -110.704 72.4533 PRESSAVG: 3773800 41.4594 12.1522 70.1097 12.1522 8.08394 -13.7129 70.1096 -13.713 -20.6043 GPRESSAVG: 3773800 42.8184 12.639 69.4055 12.6799 6.9715 -11.0325 70.5305 -15.9721 -21.339 TIMING: 3773800 CPU: 10933.4, 0.0028609/step Wall: 10933.4, 0.0028609/step, 0.974454 hours remaining, 210.976562 MB of memory in use. ENERGY: 3773800 757.7007 2049.2090 1958.6261 108.2088 -206178.9692 17653.1564 0.0000 0.0000 34322.6030 -149329.4652 299.7478 -183652.0682 -149232.8862 298.5937 -98.2718 -67.0206 556513.1001 9.6463 9.4836 PRESSURE: 3774000 -55.9261 2.16725 -26.0157 2.1678 131.074 101.468 -26.0159 101.466 -176.849 GPRESSURE: 3774000 -25.7754 88.6582 -35.4541 7.79108 130.637 146.106 -54.8593 150.838 -110.496 PRESSAVG: 3774000 -14.6522 2.28263 39.0913 2.28264 -23.2096 -64.7557 39.0913 -64.7556 58.4266 GPRESSAVG: 3774000 -15.7535 3.17533 37.82 1.904 -24.6738 -65.4035 40.4209 -63.585 60.5687 TIMING: 3774000 CPU: 10934, 0.0028772/step Wall: 10934, 0.0028772/step, 0.979847 hours remaining, 210.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3774000 773.7407 2140.5249 1940.2927 111.7551 -206438.7563 17873.7084 0.0000 0.0000 34098.3135 -149500.4210 297.7891 -183598.7345 -149407.2778 298.6323 -33.9006 -1.8780 557394.5395 6.8549 6.7138 PRESSURE: 3774200 56.1602 38.1065 -174.577 38.1065 4.20115 6.69827 -174.577 6.69916 199.183 GPRESSURE: 3774200 63.4558 52.4115 -135.361 59.8252 20.7369 7.55981 -231.5 40.2457 273.481 PRESSAVG: 3774200 6.97588 1.54397 -15.0822 1.54403 -24.6759 1.14407 -15.0822 1.14399 11.7844 GPRESSAVG: 3774200 6.15091 0.153339 -14.3455 2.52921 -22.9634 -0.357656 -16.2363 2.37451 10.686 TIMING: 3774200 CPU: 10934.6, 0.00287242/step Wall: 10934.6, 0.00287242/step, 0.97806 hours remaining, 210.976562 MB of memory in use. ENERGY: 3774200 709.5622 2070.1960 1919.4994 117.6363 -206434.1805 18002.2720 0.0000 0.0000 34118.5769 -149496.4378 297.9660 -183615.0147 -149401.5506 298.1460 86.5149 119.2245 558185.3366 -1.9719 -2.0422 PRESSURE: 3774400 -255.099 -53.4049 3.94721 -53.4067 30.401 -176.212 3.94695 -176.212 -407.067 GPRESSURE: 3774400 -234.767 -43.9152 89.6652 -47.101 47.0028 -169.74 -39.5 -129.631 -345.196 PRESSAVG: 3774400 7.15821 -5.55202 19.2528 -5.55201 -18.209 -13.7829 19.2528 -13.7829 19.356 GPRESSAVG: 3774400 8.56397 -5.54252 19.9986 -3.90658 -20.5672 -13.9218 19.5628 -13.3466 20.0225 TIMING: 3774400 CPU: 10935.2, 0.00288365/step Wall: 10935.2, 0.00288365/step, 0.981721 hours remaining, 210.976562 MB of memory in use. ENERGY: 3774400 732.8967 2087.6895 1927.2624 114.6964 -205943.9294 17513.7304 0.0000 0.0000 34009.2528 -149558.4012 297.0113 -183567.6540 -149459.7064 298.5195 -210.5882 -177.6532 557910.6438 2.7684 2.6731 PRESSURE: 3774600 102.509 -29.5105 -45.2115 -29.511 9.95006 22.3151 -45.2112 22.3159 -36.4637 GPRESSURE: 3774600 89.4235 -68.2932 32.6003 -41.3942 62.2769 37.7272 -130.736 40.3882 26.0136 PRESSAVG: 3774600 19.3512 10.6725 47.7192 10.6726 6.0214 -36.3697 47.7192 -36.3697 -49.4318 GPRESSAVG: 3774600 18.2016 12.1151 48.4186 6.90245 8.44055 -34.4767 46.6453 -36.849 -50.1713 TIMING: 3774600 CPU: 10935.7, 0.00288059/step Wall: 10935.7, 0.00288059/step, 0.980521 hours remaining, 210.976562 MB of memory in use. ENERGY: 3774600 758.4318 2097.6028 1918.8012 109.5141 -206609.4997 18045.5322 0.0000 0.0000 34096.9970 -149582.6207 297.7776 -183679.6177 -149485.6821 298.2872 25.3317 59.2380 557984.2032 -8.0197 -7.8430 PRESSURE: 3774800 68.5605 -86.8887 20.1584 -86.8888 -82.47 -80.1286 20.1578 -80.1293 -66.1302 GPRESSURE: 3774800 116.559 -73.4006 39.1402 -50.8606 -50.3426 -36.3533 -42.3648 -49.3721 -61.3926 PRESSAVG: 3774800 16.4972 20.155 78.792 20.155 -67.5828 -22.1736 78.7919 -22.1735 66.0828 GPRESSAVG: 3774800 16.7013 18.3483 79.1365 21.6081 -69.2137 -22.6999 78.2753 -24.2191 67.3902 TIMING: 3774800 CPU: 10936.3, 0.00288415/step Wall: 10936.3, 0.00288415/step, 0.981571 hours remaining, 210.976562 MB of memory in use. ENERGY: 3774800 718.0361 2078.6172 1907.3060 102.9195 -206304.4671 17806.1690 0.0000 0.0000 34161.6069 -149529.8123 298.3418 -183691.4192 -149440.4456 298.0889 -26.6799 1.6080 557314.0077 4.9991 4.9593 PRESSURE: 3775000 -198.514 -111.401 24.0586 -111.401 133.441 45.5105 24.0587 45.5097 213.039 GPRESSURE: 3775000 -185.304 -139.744 -0.715554 -62.8005 151.288 -2.71409 78.2874 64.9182 284.741 PRESSAVG: 3775000 29.3295 15.4825 43.9799 15.4825 -20.575 -51.405 43.9799 -51.405 7.97852 GPRESSAVG: 3775000 28.8902 14.9769 42.3306 16.5081 -19.4841 -52.9297 45.612 -49.8089 7.25613 TIMING: 3775000 CPU: 10936.9, 0.0028684/step Wall: 10936.9, 0.0028684/step, 0.976052 hours remaining, 210.976562 MB of memory in use. ENERGY: 3775000 766.8815 2040.4122 1953.1003 108.5516 -206371.5067 17901.6461 0.0000 0.0000 34110.7567 -149490.1582 297.8977 -183600.9150 -149395.2250 298.3932 49.3222 83.5748 557120.9324 5.5777 5.5541 PRESSURE: 3775200 -45.8949 190.265 26.5184 190.265 -84.3242 -252.403 26.518 -252.404 -9.40035 GPRESSURE: 3775200 11.5212 114.031 -20.7814 271.796 -51.7936 -263.118 32.8045 -183.74 -9.0406 PRESSAVG: 3775200 28.5969 24.8661 -21.0707 24.8659 -21.1418 9.99673 -21.0708 9.99682 -9.05086 GPRESSAVG: 3775200 30.5886 26.0595 -21.2352 23.2374 -22.3688 10.6323 -20.9698 8.68094 -9.04894 TIMING: 3775200 CPU: 10937.5, 0.00287972/step Wall: 10937.5, 0.00287972/step, 0.979744 hours remaining, 210.976562 MB of memory in use. ENERGY: 3775200 757.0519 2079.6541 1970.4390 118.1196 -206118.4313 17584.9923 0.0000 0.0000 34206.6546 -149401.5199 298.7352 -183608.1744 -149302.1478 298.1800 -46.5398 -16.4377 557508.9309 -0.5319 -0.2764 PRESSURE: 3775400 -153.325 6.52435 -23.2186 6.52521 54.4559 126.285 -23.2189 126.285 58.8938 GPRESSURE: 3775400 -51.6749 -3.82909 -16.3401 -39.8931 68.4902 235.418 14.189 76.1386 42.0686 PRESSAVG: 3775400 -15.8321 38.5595 23.9547 38.5595 55.5985 23.9082 23.9547 23.9081 -51.0833 GPRESSAVG: 3775400 -16.5292 38.8586 25.1977 37.9069 56.3626 23.8473 21.7718 25.2537 -51.5909 TIMING: 3775400 CPU: 10938, 0.00289009/step Wall: 10938, 0.00289009/step, 0.983111 hours remaining, 210.976562 MB of memory in use. ENERGY: 3775400 747.3287 2078.9229 1935.4016 104.8428 -206381.7038 17916.1364 0.0000 0.0000 34223.2565 -149375.8149 298.8802 -183599.0714 -149273.0601 298.7072 -13.3250 19.6280 556644.9929 -3.7723 -3.9191 PRESSURE: 3775600 174.542 -26.3323 107.97 -26.3327 41.737 65.7702 107.97 65.7694 -60.5348 GPRESSURE: 3775600 146.384 -23.5716 96.9747 -108.806 88.8746 92.663 106.285 -82.3954 9.08591 PRESSAVG: 3775600 -1.85698 4.71457 18.9392 4.71462 -12.8019 20.5375 18.9393 20.5375 -13.7051 GPRESSAVG: 3775600 -1.48627 2.15823 17.0571 5.86504 -13.9604 21.6817 21.029 20.8347 -13.303 TIMING: 3775600 CPU: 10938.6, 0.00289031/step Wall: 10938.6, 0.00289031/step, 0.983025 hours remaining, 210.976562 MB of memory in use. ENERGY: 3775600 705.0252 2122.1831 1969.4060 114.5787 -206092.5301 17719.5205 0.0000 0.0000 34160.4027 -149301.4138 298.3313 -183461.8165 -149206.0659 299.0443 51.9148 81.4482 556290.4317 -9.4547 -9.5832 PRESSURE: 3775800 526.864 38.6233 33.3125 38.6231 -81.7322 50.1532 33.3126 50.1532 177.028 GPRESSURE: 3775800 557.096 81.9181 -20.7406 106.205 -8.22196 -1.01584 61.3795 22.2426 182.171 PRESSAVG: 3775800 -14.9782 5.14504 0.6927 5.14505 -26.5973 21.7486 0.692787 21.7487 -12.3774 GPRESSAVG: 3775800 -15.2148 7.40691 1.8453 4.85309 -25.8745 19.4832 1.09923 23.176 -12.837 TIMING: 3775800 CPU: 10939.2, 0.00288262/step Wall: 10939.2, 0.00288262/step, 0.98025 hours remaining, 210.976562 MB of memory in use. ENERGY: 3775800 746.8033 2078.1277 1964.6560 120.6975 -206864.6379 18261.7054 0.0000 0.0000 34350.9064 -149341.7416 299.9950 -183692.6480 -149244.4102 299.4574 207.3865 243.6816 556718.3518 -17.9843 -17.9755 PRESSURE: 3776000 -24.7958 -72.964 -59.9139 -72.9654 -19.406 -18.5112 -59.9138 -18.5103 -301.998 GPRESSURE: 3776000 -64.6757 -72.1205 -96.4965 -33.1485 19.957 -99.5598 -62.6439 12.985 -206.392 PRESSAVG: 3776000 7.55494 -35.2104 7.12267 -35.2104 42.5826 -74.0207 7.12268 -74.0207 -21.0891 GPRESSAVG: 3776000 8.05281 -34.5873 5.64503 -33.7644 41.5507 -71.5988 7.87633 -75.8751 -21.4858 TIMING: 3776000 CPU: 10939.8, 0.0028649/step Wall: 10939.8, 0.0028649/step, 0.974065 hours remaining, 210.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3776000 724.7847 2086.6861 1939.1371 115.7475 -206116.8128 17634.7973 0.0000 0.0000 34291.0199 -149324.6401 299.4720 -183615.6600 -149224.7508 298.9695 -115.4000 -83.7035 556984.0343 9.6828 9.3726 PRESSURE: 3776200 -9.39369 4.15462 -220.022 4.15477 -151.583 67.5931 -220.024 67.5941 -81.8952 GPRESSURE: 3776200 22.1903 -38.3782 -224.952 49.4874 -88.6395 134.906 -215.809 -30.7587 -83.9929 PRESSAVG: 3776200 29.8304 25.8631 -1.03087 25.863 51.5172 -42.3232 -1.03082 -42.3231 -65.866 GPRESSAVG: 3776200 29.0146 23.5341 -1.05645 26.7146 52.0778 -42.6366 -2.03121 -43.2329 -65.3296 TIMING: 3776200 CPU: 10940.4, 0.00290546/step Wall: 10940.4, 0.00290546/step, 0.987696 hours remaining, 210.976562 MB of memory in use. ENERGY: 3776200 720.5820 2131.4284 1954.2967 114.2038 -206202.9489 17590.9492 0.0000 0.0000 34223.5304 -149467.9585 298.8826 -183691.4889 -149366.8632 299.0559 -80.9573 -50.1474 558363.4051 5.1605 5.2542 LDB: ============= START OF LOAD BALANCING ============== 10943.7 LDB: ============== END OF LOAD BALANCING =============== 10943.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10943.7 LDB: ============= START OF LOAD BALANCING ============== 10944 LDB: Largest compute 4773 load 0.024398 is 20.7% of average load 0.118016 LDB: Average compute 0.001737 is 1.5% of average load 0.118016 LDB: TIME 10944 LOAD: AVG 0.118016 MAX 0.180469 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.406 MB LDB: TIME 10944 LOAD: AVG 0.118016 MAX 0.180469 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.406 MB LDB: TIME 10944 LOAD: AVG 0.118016 MAX 0.180469 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10944 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10944 PRESSURE: 3776400 -64.8373 91.898 22.0437 91.8991 -114.239 -134.021 22.0442 -134.019 -35.2733 GPRESSURE: 3776400 -19.2425 0.0853165 62.9796 119.599 -63.6949 -69.6163 15.4303 -157.41 -33.6006 PRESSAVG: 3776400 38.9462 19.6011 -50.8027 19.6012 -0.310995 -22.0707 -50.8027 -22.0707 -39.9733 GPRESSAVG: 3776400 39.0087 19.5489 -47.8065 17.7261 0.425203 -22.8211 -51.8222 -21.1674 -41.2643 TIMING: 3776400 CPU: 10940.9, 0.00295708/step Wall: 10940.9, 0.00295708/step, 1.00508 hours remaining, 210.148438 MB of memory in use. ENERGY: 3776400 780.0508 2115.7906 1948.2637 118.1791 -206123.0008 17817.6113 0.0000 0.0000 33961.0777 -149382.0276 296.5905 -183343.1053 -149284.1832 298.7337 -71.4498 -38.8460 557520.0360 -0.4460 -0.6101 PRESSURE: 3776600 -25.1676 -33.2293 -40.5229 -33.2297 57.3316 -92.745 -40.5221 -92.7454 -49.3838 GPRESSURE: 3776600 -27.0459 -139.968 -108.384 -19.6584 90.882 -41.1986 -11.9095 -154.094 14.9501 PRESSAVG: 3776600 21.8924 11.9212 13.6657 11.9211 17.9739 -51.2656 13.6657 -51.2656 -54.5447 GPRESSAVG: 3776600 23.5652 11.0686 10.8822 12.3399 15.5814 -51.3735 16.5338 -50.1722 -53.8847 TIMING: 3776600 CPU: 10941.5, 0.00287971/step Wall: 10941.5, 0.00287971/step, 0.978621 hours remaining, 210.148438 MB of memory in use. ENERGY: 3776600 716.2974 2138.6164 1972.4209 108.3899 -206466.4906 17820.1116 0.0000 0.0000 34388.8452 -149321.8093 300.3263 -183710.6545 -149222.9316 298.5112 -5.7399 26.2621 556296.4034 -4.8928 -4.9127 PRESSURE: 3776800 -35.4654 -116.699 -117.296 -116.699 170.446 -114.929 -117.296 -114.928 44.2018 GPRESSURE: 3776800 -50.6659 35.2462 -124.355 -188.933 239.715 -179.313 -36.6136 -99.8405 75.1411 PRESSAVG: 3776800 40.0662 -46.121 -18.3576 -46.1209 -44.8911 -53.2477 -18.3576 -53.2477 -16.5443 GPRESSAVG: 3776800 38.3666 -45.7859 -17.1848 -47.353 -42.9816 -51.7441 -19.8738 -55.9708 -16.8397 TIMING: 3776800 CPU: 10942.1, 0.00287204/step Wall: 10942.1, 0.00287204/step, 0.975856 hours remaining, 210.351562 MB of memory in use. ENERGY: 3776800 773.8454 2107.5909 1967.6021 110.5161 -206270.8154 17723.6208 0.0000 0.0000 34286.1135 -149301.5267 299.4292 -183587.6402 -149203.7966 299.1420 59.7276 88.0634 556082.5571 -7.1231 -7.1515 PRESSURE: 3777000 -163.554 34.5883 -47.4857 34.5875 -206.852 -243.024 -47.4856 -243.023 -22.8878 GPRESSURE: 3777000 -143.604 -41.5973 -29.3464 98.4678 -150.121 -143.766 -6.09824 -204.897 -6.17508 PRESSAVG: 3777000 -1.17891 17.0728 -54.2343 17.0728 -3.77003 12.101 -54.2342 12.1011 9.86035 GPRESSAVG: 3777000 0.272723 17.7901 -54.5644 17.9504 -4.38284 12.0399 -54.5625 13.462 9.38953 TIMING: 3777000 CPU: 10942.7, 0.00286477/step Wall: 10942.7, 0.00286477/step, 0.973225 hours remaining, 210.351562 MB of memory in use. ENERGY: 3777000 723.8363 2088.6595 1951.0438 126.6013 -206073.9395 17549.7484 0.0000 0.0000 34214.5057 -149419.5445 298.8038 -183634.0502 -149330.9758 298.8921 -131.0978 -99.9668 557761.7989 1.6371 1.7598 PRESSURE: 3777200 85.3808 -27.938 -102.505 -27.9365 108.692 -27.5953 -102.506 -27.5948 -122.959 GPRESSURE: 3777200 88.3154 -19.8122 -92.3707 -82.7828 115.971 -32.548 -63.4436 -95.4033 -33.9071 PRESSAVG: 3777200 63.3432 38.3846 -33.2188 38.3845 9.84147 -20.7396 -33.2188 -20.7395 -48.9965 GPRESSAVG: 3777200 61.6057 37.6151 -33.9077 38.7334 8.78795 -22.2669 -33.3909 -20.3946 -45.9551 TIMING: 3777200 CPU: 10943.2, 0.00287067/step Wall: 10943.2, 0.00287067/step, 0.97507 hours remaining, 210.351562 MB of memory in use. ENERGY: 3777200 740.5988 2083.9491 1959.4572 106.8050 -206208.4391 17881.8910 0.0000 0.0000 34149.0789 -149286.6590 298.2324 -183435.7380 -149191.2163 298.6431 23.7046 56.7931 556741.8129 8.0627 8.1462 PRESSURE: 3777400 85.703 0.481127 -93.7073 0.479529 55.8536 -0.0890051 -93.7077 -0.0889219 -41.2045 GPRESSURE: 3777400 89.8973 7.62225 -120.241 17.3144 75.4918 -12.9365 -86.5609 55.1205 41.8369 PRESSAVG: 3777400 14.5085 14.5019 -54.1794 14.5019 -25.8993 19.3462 -54.1795 19.3463 2.67245 GPRESSAVG: 3777400 16.5791 17.4301 -53.536 13.6565 -25.3875 19.1868 -54.3697 20.239 0.207391 TIMING: 3777400 CPU: 10943.8, 0.00287448/step Wall: 10943.8, 0.00287448/step, 0.976205 hours remaining, 210.351562 MB of memory in use. ENERGY: 3777400 718.1886 2124.5894 1928.1608 112.0262 -206174.6004 17899.9990 0.0000 0.0000 34047.3111 -149344.3253 297.3436 -183391.6364 -149249.5090 299.3016 33.4507 69.0753 557296.6521 -2.9061 -2.8670 PRESSURE: 3777600 -359.916 44.9584 -109.9 44.9586 -221.056 -14.3587 -109.899 -14.358 67.5692 GPRESSURE: 3777600 -293.411 0.800543 -141.335 64.3588 -220.114 -49.6849 -46.2267 -16.3849 96.9124 PRESSAVG: 3777600 16.8476 -15.2959 -3.04788 -15.2959 -3.71968 3.79129 -3.04794 3.79129 -28.8273 GPRESSAVG: 3777600 16.1341 -16.6476 -4.01559 -12.887 -3.22787 5.5659 -1.60305 1.55578 -28.3334 TIMING: 3777600 CPU: 10944.4, 0.002875/step Wall: 10944.4, 0.002875/step, 0.976222 hours remaining, 210.351562 MB of memory in use. ENERGY: 3777600 711.5904 2088.5762 1946.7715 122.9904 -206189.2628 17656.5625 0.0000 0.0000 34386.9649 -149275.8068 300.3099 -183662.7717 -149181.4901 298.9750 -171.1342 -138.8707 559071.0820 -5.2331 -5.1424 PRESSURE: 3777800 63.8525 -72.4781 -11.6356 -72.4797 56.6101 -15.2336 -11.6356 -15.2345 -190.77 GPRESSURE: 3777800 118.783 -7.42292 -14.3048 -174.967 90.77 -79.8414 -34.4288 0.413165 -180.757 PRESSAVG: 3777800 -0.536538 2.84722 39.2906 2.84715 3.22811 2.81483 39.2906 2.81481 18.1366 GPRESSAVG: 3777800 -0.6097 3.8151 41.1283 -0.826237 3.64072 1.16265 38.4455 3.37425 17.8166 TIMING: 3777800 CPU: 10945, 0.00287675/step Wall: 10945, 0.00287675/step, 0.976657 hours remaining, 210.351562 MB of memory in use. ENERGY: 3777800 758.4032 2124.6064 1911.5210 118.5186 -206513.3883 17887.7201 0.0000 0.0000 34411.5236 -149301.0954 300.5244 -183712.6190 -149206.1164 299.7522 -23.4358 9.5987 557455.3017 6.9427 6.9492 PRESSURE: 3778000 -45.1231 106.102 -232.243 106.1 422.265 169.953 -232.242 169.952 72.3641 GPRESSURE: 3778000 -46.426 149.403 -226.254 122.257 451.608 210.093 -252.601 151.05 135.385 PRESSAVG: 3778000 -42.4002 14.5502 -36.1036 14.5503 52.2653 29.7814 -36.1036 29.7815 -5.06331 GPRESSAVG: 3778000 -42.3286 14.2268 -35.937 15.7654 52.3028 29.4439 -35.3321 30.0372 -4.76119 TIMING: 3778000 CPU: 10945.5, 0.00288258/step Wall: 10945.5, 0.00288258/step, 0.978475 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3778000 775.7939 2111.9843 1928.4300 114.9535 -206362.3040 18034.9847 0.0000 0.0000 34052.9246 -149343.2331 297.3927 -183396.1577 -149247.2530 298.6038 149.8354 180.1890 557789.5226 1.6006 1.7377 PRESSURE: 3778200 -168.649 14.3354 129.341 14.3353 -80.3105 5.28029 129.341 5.27986 -322.874 GPRESSURE: 3778200 -145.681 53.2157 101.425 -30.4448 -64.3538 -11.1915 186.555 5.07145 -264.275 PRESSAVG: 3778200 -38.5178 22.116 -23.141 22.116 105.302 31.7111 -23.1409 31.711 -66.7567 GPRESSAVG: 3778200 -38.4723 21.1447 -25.5188 23.0704 105.493 30.6723 -23.0452 32.9387 -66.3223 TIMING: 3778200 CPU: 10946.1, 0.00286383/step Wall: 10946.1, 0.00286383/step, 0.971953 hours remaining, 210.351562 MB of memory in use. ENERGY: 3778200 735.9629 2078.0622 1944.6111 131.1121 -205912.8723 17558.2154 0.0000 0.0000 34304.8269 -149160.0818 299.5926 -183464.9086 -149062.0470 299.6916 -190.6112 -158.1031 557301.7436 0.0092 0.2326 PRESSURE: 3778400 -32.3731 -9.99005 86.051 -9.9899 -309.987 39.6809 86.0513 39.6823 54.8841 GPRESSURE: 3778400 -26.3056 33.4738 85.6173 -31.5219 -266.43 -18.1219 94.0751 32.3739 102.434 PRESSAVG: 3778400 -28.8182 0.340054 16.7353 0.340021 -65.4891 -62.9632 16.7353 -62.9633 61.7985 GPRESSAVG: 3778400 -27.599 1.06398 16.2526 0.100379 -66.1173 -61.8795 17.3289 -63.5136 61.115 TIMING: 3778400 CPU: 10946.7, 0.00288212/step Wall: 10946.7, 0.00288212/step, 0.977998 hours remaining, 210.351562 MB of memory in use. ENERGY: 3778400 766.2637 2119.4617 1923.7191 121.2428 -206597.9441 17829.8374 0.0000 0.0000 34512.4497 -149324.9697 301.4058 -183837.4194 -149239.1692 299.2679 -95.8255 -63.4339 557998.8598 -10.8363 -10.8671 PRESSURE: 3778600 -233.427 51.9261 28.9085 51.9254 -90.0775 -28.1279 28.9077 -28.1293 -19.4972 GPRESSURE: 3778600 -182.447 137.503 -2.01429 50.2064 -85.2263 74.0723 46.7859 -68.4569 15.1524 PRESSAVG: 3778600 -20.3125 4.22837 -10.6764 4.22833 -21.0348 -9.42924 -10.6764 -9.42933 24.2584 GPRESSAVG: 3778600 -22.9567 4.53674 -9.24609 3.7844 -20.3749 -6.61181 -13.9156 -10.9859 25.9568 TIMING: 3778600 CPU: 10947.3, 0.00286293/step Wall: 10947.3, 0.00286293/step, 0.97133 hours remaining, 210.351562 MB of memory in use. ENERGY: 3778600 761.7809 2033.4369 1962.5357 105.3221 -205904.7849 17733.9844 0.0000 0.0000 34163.8114 -149143.9136 298.3611 -183307.7249 -149038.7741 299.1474 -114.3338 -84.1737 559313.5185 -5.6963 -5.7916 PRESSURE: 3778800 51.2085 27.596 -30.229 27.595 -197.807 5.95531 -30.2276 5.95435 212.902 GPRESSURE: 3778800 75.8783 -29.707 -82.7075 -15.5305 -150.749 8.88311 21.8902 -0.428891 243.823 PRESSAVG: 3778800 59.4842 53.1615 6.68698 53.1614 -14.2093 6.82144 6.687 6.82148 9.8577 GPRESSAVG: 3778800 62.6362 52.3416 6.06393 51.163 -14.351 7.55512 8.41619 6.26577 8.06614 TIMING: 3778800 CPU: 10947.8, 0.00285904/step Wall: 10947.8, 0.00285904/step, 0.969849 hours remaining, 210.351562 MB of memory in use. ENERGY: 3778800 742.6179 2079.5426 1942.4792 113.6075 -206237.4790 17940.5748 0.0000 0.0000 34244.7667 -149173.8903 299.0681 -183418.6570 -149080.1484 300.0632 22.1011 56.3175 558930.6371 18.3775 18.7838 PRESSURE: 3779000 -274.442 110.023 -1.23454 110.024 -82.5176 19.5111 -1.23619 19.5119 66.7 GPRESSURE: 3779000 -185.041 62.1619 64.4961 119.767 -44.2579 -7.01751 25.8235 46.1611 41.8397 PRESSAVG: 3779000 18.3569 7.58482 -30.1125 7.58488 31.0174 -34.4754 -30.1124 -34.4755 -61.026 GPRESSAVG: 3779000 18.6406 8.53362 -29.4552 8.48442 30.7526 -36.5391 -32.1152 -33.2713 -61.0603 TIMING: 3779000 CPU: 10948.4, 0.00285244/step Wall: 10948.4, 0.00285244/step, 0.967454 hours remaining, 210.351562 MB of memory in use. ENERGY: 3779000 751.0633 2092.2396 1956.1325 110.4121 -205928.0136 17602.0902 0.0000 0.0000 34355.0103 -149061.0656 300.0308 -183416.0758 -148961.9496 300.2255 -96.7531 -62.4866 557810.9100 -3.8839 -3.8890 PRESSURE: 3779200 2.80746 45.1705 87.0387 45.1694 89.4025 101.561 87.0381 101.562 -112.238 GPRESSURE: 3779200 11.6568 104.034 134.424 -48.4002 204.132 85.0541 96.9194 99.4311 -142.018 PRESSAVG: 3779200 -11.0107 -10.0071 -18.0508 -10.0071 96.8156 35.886 -18.0508 35.886 -80.962 GPRESSAVG: 3779200 -12.7197 -12.6178 -19.3419 -8.31531 97.2783 36.4988 -15.9954 34.8155 -79.9378 TIMING: 3779200 CPU: 10949, 0.00285508/step Wall: 10949, 0.00285508/step, 0.96819 hours remaining, 210.351562 MB of memory in use. ENERGY: 3779200 737.3141 2071.6677 1962.7009 112.4038 -206065.3315 17710.4440 0.0000 0.0000 34402.9721 -149067.8289 300.4497 -183470.8010 -148967.8978 299.1062 -6.6759 24.5902 558223.8952 1.6143 1.5403 PRESSURE: 3779400 1.00935 -92.8876 172.327 -92.888 -215.832 -79.6999 172.327 -79.7002 105.163 GPRESSURE: 3779400 36.1017 -151.005 146.172 -112.142 -155.065 -28.9086 233.713 -153.602 99.4765 PRESSAVG: 3779400 -38.1379 18.9507 41.3057 18.9506 36.2072 -9.37553 41.3058 -9.3756 -68.0185 GPRESSAVG: 3779400 -37.0666 21.2306 41.3885 16.8822 36.2425 -10.7051 40.5989 -8.49415 -69.1241 TIMING: 3779400 CPU: 10949.6, 0.00287934/step Wall: 10949.6, 0.00287934/step, 0.976256 hours remaining, 210.351562 MB of memory in use. ENERGY: 3779400 739.2672 2181.0676 1942.0708 113.3093 -205994.9649 17787.0086 0.0000 0.0000 34172.7405 -149059.5010 298.4390 -183232.2415 -148966.9858 299.5763 -36.5530 -6.4955 558945.6405 -23.3164 -23.3161 PRESSURE: 3779600 -215.052 17.2181 -36.9979 17.2192 -170.234 -11.4116 -36.9973 -11.41 -89.5049 GPRESSURE: 3779600 -175.719 -39.1504 -111.646 49.8841 -144.969 73.931 -12.2699 -136.373 -58.2571 PRESSAVG: 3779600 -12.3552 11.7006 -37.3206 11.7005 39.9514 -50.6297 -37.3206 -50.6296 -21.642 GPRESSAVG: 3779600 -12.9079 11.4839 -36.4583 12.2245 39.2701 -50.4138 -36.9793 -52.7736 -19.7558 TIMING: 3779600 CPU: 10950.1, 0.00288477/step Wall: 10950.1, 0.00288477/step, 0.977937 hours remaining, 210.351562 MB of memory in use. ENERGY: 3779600 755.6925 2110.5056 1974.9539 115.9393 -205421.3419 17358.0918 0.0000 0.0000 34115.7982 -148990.3606 297.9418 -183106.1588 -148892.2075 299.4137 -158.2638 -126.3148 559333.8705 1.9847 2.2022 PRESSURE: 3779800 -48.6121 45.4989 -94.4991 45.498 -43.471 134.582 -94.5 134.581 54.6952 GPRESSURE: 3779800 -56.0959 -5.86339 -133.169 71.2525 -26.298 169.077 -53.3714 109.55 129.053 PRESSAVG: 3779800 -19.7299 16.601 -25.8925 16.601 -19.7357 4.60573 -25.8925 4.6056 13.4432 GPRESSAVG: 3779800 -18.1257 15.4741 -27.6248 17.9724 -20.3855 6.04074 -25.9749 5.45841 12.2684 TIMING: 3779800 CPU: 10950.7, 0.00287674/step Wall: 10950.7, 0.00287674/step, 0.975054 hours remaining, 210.351562 MB of memory in use. ENERGY: 3779800 729.0039 2151.8387 1952.1699 108.6094 -205920.0913 17759.0448 0.0000 0.0000 34005.1614 -149214.2632 296.9755 -183219.4247 -149123.8947 298.8509 -12.4626 15.5531 556796.6162 -8.6742 -8.7476 PRESSURE: 3780000 -94.7088 61.8773 -2.51399 61.8783 -479.849 34.0328 -2.51423 34.0345 187.454 GPRESSURE: 3780000 -82.1803 140.644 64.2049 -43.3296 -424.139 27.3016 -94.6413 10.9785 225.448 PRESSAVG: 3780000 28.3259 -2.10439 14.158 -2.10443 7.3004 19.4896 14.158 19.4897 -0.606872 GPRESSAVG: 3780000 26.4399 -3.68587 14.8984 -0.737899 9.28387 17.5102 12.6148 22.3539 -0.881384 TIMING: 3780000 CPU: 10951.3, 0.00288498/step Wall: 10951.3, 0.00288498/step, 0.977689 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3780000 747.9644 2111.5143 1949.3284 111.6051 -205970.2551 17611.0677 0.0000 0.0000 34171.4568 -149267.3185 298.4278 -183438.7753 -149163.2782 298.7791 -129.0347 -93.6238 558226.9932 11.6731 11.6141 PRESSURE: 3780200 -73.1372 -65.1152 94.6329 -65.1137 -135.285 66.4329 94.6337 66.4318 -112.548 GPRESSURE: 3780200 -74.3752 -23.5825 208.814 -37.5687 -80.1835 98.6861 74.6596 49.4525 -60.9555 PRESSAVG: 3780200 -47.5127 12.5535 29.1469 12.5535 -10.8246 -35.0714 29.1469 -35.0715 53.366 GPRESSAVG: 3780200 -46.1032 16.7235 27.8663 11.4649 -12.021 -33.134 30.9749 -35.9167 52.9728 TIMING: 3780200 CPU: 10951.9, 0.00288299/step Wall: 10951.9, 0.00288299/step, 0.976853 hours remaining, 210.351562 MB of memory in use. ENERGY: 3780200 766.8459 2096.5869 1973.1585 95.5254 -206378.6543 17866.7974 0.0000 0.0000 34375.4058 -149204.3343 300.2090 -183579.7401 -149111.1196 299.1709 -106.9901 -71.8381 558401.5046 -1.6571 -1.7172 LDB: ============= START OF LOAD BALANCING ============== 10955.2 LDB: ============== END OF LOAD BALANCING =============== 10955.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10955.2 LDB: ============= START OF LOAD BALANCING ============== 10955.5 LDB: Largest compute 4773 load 0.024320 is 20.6% of average load 0.118002 LDB: Average compute 0.001735 is 1.5% of average load 0.118002 LDB: TIME 10955.5 LOAD: AVG 0.118002 MAX 0.178433 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.922 MB LDB: TIME 10955.5 LOAD: AVG 0.118002 MAX 0.178433 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.922 MB LDB: TIME 10955.5 LOAD: AVG 0.118002 MAX 0.178433 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10955.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10955.5 PRESSURE: 3780400 61.2982 -46.3612 -186.659 -46.362 -42.2774 59.425 -186.66 59.4243 -185.583 GPRESSURE: 3780400 19.4645 -9.66833 -227.357 -97.3052 93.6417 71.8832 -102.438 39.9289 -181.504 PRESSAVG: 3780400 4.58291 -42.503 25.9825 -42.5031 -8.54301 54.0198 25.9826 54.0198 25.4615 GPRESSAVG: 3780400 4.02663 -44.397 30.0408 -44.2819 -8.23476 52.793 26.5445 52.7523 26.0852 TIMING: 3780400 CPU: 10952.4, 0.00292717/step Wall: 10952.4, 0.00292717/step, 0.991662 hours remaining, 212.144531 MB of memory in use. ENERGY: 3780400 735.0674 2108.8463 1942.0902 114.7111 -206177.7148 17867.3726 0.0000 0.0000 34264.7493 -149144.8779 299.2426 -183409.6272 -149043.9701 299.7421 -55.5206 -22.7991 559178.3327 7.1671 7.2923 PRESSURE: 3780600 -131.977 108.694 -51.6248 108.695 25.4567 -72.6185 -51.6247 -72.617 -185.258 GPRESSURE: 3780600 -89.1545 203.537 -51.8852 29.916 62.1226 -124.766 -108.904 -82.0983 -183.471 PRESSAVG: 3780600 -43.5744 -32.006 -65.315 -32.0061 32.1347 -7.47878 -65.315 -7.47875 -22.6153 GPRESSAVG: 3780600 -43.8526 -31.2536 -67.456 -29.9269 31.5974 -7.92745 -66.9825 -5.90889 -22.007 TIMING: 3780600 CPU: 10953, 0.00288302/step Wall: 10953, 0.00288302/step, 0.976542 hours remaining, 212.347656 MB of memory in use. ENERGY: 3780600 746.5625 2084.0797 1932.8327 114.5487 -206302.9423 17785.8666 0.0000 0.0000 34482.3586 -149156.6936 301.1430 -183639.0522 -149055.2380 299.4381 -97.2593 -70.1677 559015.9804 -11.3517 -11.4207 PRESSURE: 3780800 5.55156 -92.6358 -201.548 -92.636 -206.9 -126.183 -201.548 -126.183 -76.3087 GPRESSURE: 3780800 75.0086 -148.954 -176.752 -50.4467 -160.32 -69.4574 -222.942 -204.795 -92.3934 PRESSAVG: 3780800 35.3328 20.0436 -12.9855 20.0437 -16.7543 -31.9568 -12.9855 -31.9568 11.6672 GPRESSAVG: 3780800 35.9429 20.2886 -13.919 19.0196 -16.0851 -32.2738 -11.2994 -32.9829 10.3706 TIMING: 3780800 CPU: 10953.6, 0.00286014/step Wall: 10953.6, 0.00286014/step, 0.968634 hours remaining, 212.347656 MB of memory in use. ENERGY: 3780800 738.3776 2082.8356 1948.6994 119.2687 -206160.4739 17751.6342 0.0000 0.0000 34291.8686 -149227.7899 299.4794 -183519.6585 -149127.9830 299.2757 -92.5524 -59.2350 559161.0759 10.0819 10.0761 PRESSURE: 3781000 -260.23 2.12893 -160.01 2.12822 94.317 -69.5916 -160.01 -69.5922 -100.826 GPRESSURE: 3781000 -303.524 -75.2834 -110.278 40.5867 135.254 -138.123 -200.101 -17.5166 -5.76178 PRESSAVG: 3781000 -16.6731 25.2994 -13.0658 25.2994 43.9926 -0.0690866 -13.0658 -0.0690914 -25.1301 GPRESSAVG: 3781000 -18.0309 23.1307 -11.0122 26.2641 43.9742 0.787045 -13.8045 0.81623 -23.4637 TIMING: 3781000 CPU: 10954.2, 0.0028587/step Wall: 10954.2, 0.0028587/step, 0.967989 hours remaining, 212.347656 MB of memory in use. ENERGY: 3781000 758.3382 2082.7515 1931.4645 120.4286 -206042.2219 17711.1057 0.0000 0.0000 34054.1028 -149384.0306 297.4029 -183438.1335 -149282.6685 298.8970 -88.9128 -58.0106 557693.3597 0.7298 0.8266 PRESSURE: 3781200 -13.8197 -31.3258 162.766 -31.3269 -92.3077 -31.0872 162.767 -31.0872 57.4675 GPRESSURE: 3781200 31.6669 38.9353 113.231 -50.3321 -51.749 -94.941 213.131 -16.691 57.3775 PRESSAVG: 3781200 -18.1425 23.9539 -8.42983 23.9538 50.6364 46.583 -8.42983 46.583 -40.2335 GPRESSAVG: 3781200 -17.7172 24.111 -10.8013 23.639 50.3353 47.0106 -7.693 46.0167 -40.3998 TIMING: 3781200 CPU: 10954.7, 0.00286656/step Wall: 10954.7, 0.00286656/step, 0.970489 hours remaining, 212.347656 MB of memory in use. ENERGY: 3781200 724.3645 2137.6717 1944.8932 108.6059 -206395.1918 17824.1162 0.0000 0.0000 34527.6375 -149127.9030 301.5384 -183655.5404 -149034.4369 298.3928 -16.2200 12.4318 558709.7992 -2.5799 -2.5939 PRESSURE: 3781400 -51.5963 4.08608 -103.909 4.08556 -67.6355 -62.197 -103.91 -62.1975 -215.51 GPRESSURE: 3781400 -20.8357 -35.8965 -89.2121 72.5104 -21.1468 28.3787 -138.894 -137.268 -197.765 PRESSAVG: 3781400 -11.0026 23.067 24.9269 23.067 48.0795 -13.5099 24.927 -13.5099 -28.1947 GPRESSAVG: 3781400 -10.244 22.6324 24.6442 23.7572 48.4747 -14.0966 24.9945 -14.9719 -29.4602 TIMING: 3781400 CPU: 10955.3, 0.00287061/step Wall: 10955.3, 0.00287061/step, 0.971703 hours remaining, 212.347656 MB of memory in use. ENERGY: 3781400 752.3210 2109.1742 1962.0332 107.0425 -206538.3003 17946.0563 0.0000 0.0000 34497.9077 -149163.7655 301.2788 -183661.6731 -149066.3099 299.8838 -111.5806 -79.9158 558382.2326 2.9607 2.9235 PRESSURE: 3781600 84.4053 191.701 76.3356 191.7 -218.578 65.7208 76.3353 65.7214 -20.8684 GPRESSURE: 3781600 104.598 189.009 38.1062 135.308 -165.897 -29.989 124.075 73.123 3.15414 PRESSAVG: 3781600 42.9683 22.8878 -25.3546 22.8878 19.6472 -15.1311 -25.3543 -15.131 -33.4208 GPRESSAVG: 3781600 43.0712 23.4638 -24.6694 23.1029 19.5655 -13.4144 -24.7774 -16.8969 -32.9627 TIMING: 3781600 CPU: 10955.9, 0.00289084/step Wall: 10955.9, 0.00289084/step, 0.978389 hours remaining, 212.347656 MB of memory in use. ENERGY: 3781600 756.5657 2086.0646 1967.5354 113.1321 -206344.8236 17949.9960 0.0000 0.0000 34412.0035 -149059.5263 300.5286 -183471.5298 -148954.5302 299.7889 -51.6805 -19.3817 560949.5440 9.7316 9.8913 PRESSURE: 3781800 -271.901 100.239 -28.0799 100.237 -89.5343 -34.2696 -28.0814 -34.2687 84.0594 GPRESSURE: 3781800 -196.391 201.754 34.7412 54.3239 -120.324 58.5672 -64.4849 -102.619 141.102 PRESSAVG: 3781800 -88.4567 19.1427 13.2764 19.1428 73.3894 -26.4809 13.2764 -26.4809 20.6969 GPRESSAVG: 3781800 -88.7169 17.729 14.6776 19.8778 73.3189 -25.6813 12.7196 -24.4988 21.1592 TIMING: 3781800 CPU: 10956.5, 0.0028715/step Wall: 10956.5, 0.0028715/step, 0.971683 hours remaining, 212.347656 MB of memory in use. ENERGY: 3781800 770.8785 2051.1935 1962.2568 104.2039 -206072.5769 17853.7872 0.0000 0.0000 34358.5900 -148971.6670 300.0621 -183330.2570 -148878.4266 299.8989 -92.4588 -58.5380 558857.3997 1.8765 1.9204 PRESSURE: 3782000 129.165 -54.1087 -163.75 -54.1095 -289.639 -108.817 -163.751 -108.818 49.8128 GPRESSURE: 3782000 114.028 -95.9788 -188.889 -121.077 -181.531 -36.6952 -126.658 -106.614 44.637 PRESSAVG: 3782000 -42.3941 2.4277 -8.75119 2.42771 8.51176 4.57461 -8.75123 4.57461 10.6174 GPRESSAVG: 3782000 -42.823 4.43221 -11.4036 0.877919 8.70296 1.86068 -8.99282 4.7473 10.9153 TIMING: 3782000 CPU: 10957, 0.00286477/step Wall: 10957, 0.00286477/step, 0.969246 hours remaining, 212.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3782000 752.3793 2101.5465 1912.2181 125.3416 -206148.3188 17888.1350 0.0000 0.0000 34281.9749 -149086.7234 299.3930 -183368.6983 -148991.6678 300.1017 -36.8871 -7.6219 558407.5764 -7.7550 -7.7349 PRESSURE: 3782200 319.943 -5.04354 -143.496 -5.0429 282.191 -99.7964 -143.496 -99.7956 423.73 GPRESSURE: 3782200 376.44 0.728205 -36.672 -14.4928 302.092 -112.185 -162.695 -116.955 449.182 PRESSAVG: 3782200 4.59677 33.6421 -72.6953 33.6422 18.2578 21.2287 -72.6953 21.2286 -7.80488 GPRESSAVG: 3782200 4.54012 33.3033 -71.2405 34.9432 16.8428 21.8803 -74.3238 23.7609 -6.36337 TIMING: 3782200 CPU: 10957.6, 0.00286041/step Wall: 10957.6, 0.00286041/step, 0.967612 hours remaining, 212.347656 MB of memory in use. ENERGY: 3782200 736.3083 2097.3641 1954.0345 108.3120 -206941.8252 18434.3603 0.0000 0.0000 34500.7181 -149110.7279 301.3034 -183611.4460 -149011.6002 300.1833 341.9546 375.9048 555734.7707 5.0165 5.0065 PRESSURE: 3782400 208.39 -134.305 36.4179 -134.306 -260.941 -60.9623 36.4167 -60.9644 -244.511 GPRESSURE: 3782400 199.244 -191.374 124.713 -92.4441 -185.368 -45.3635 -39.2901 -41.6735 -213.569 PRESSAVG: 3782400 70.8156 -46.5242 -35.1114 -46.5243 -54.5908 3.44238 -35.1114 3.44226 9.59373 GPRESSAVG: 3782400 72.2996 -46.5252 -32.6732 -45.5624 -53.9326 3.93465 -34.6073 1.97791 7.51769 TIMING: 3782400 CPU: 10958.2, 0.00285661/step Wall: 10958.2, 0.00285661/step, 0.96617 hours remaining, 212.347656 MB of memory in use. ENERGY: 3782400 788.0778 2150.6482 1954.8140 121.3130 -206137.8249 17870.5525 0.0000 0.0000 34128.9415 -149123.4779 298.0565 -183252.4194 -149025.2202 299.2439 -99.0208 -66.5644 558766.7710 8.6062 8.6282 PRESSURE: 3782600 77.4068 55.0121 17.3255 55.0107 -18.4555 45.9099 17.3263 45.91 316.492 GPRESSURE: 3782600 77.421 114.597 83.5848 -48.0081 14.1924 76.8169 -63.355 -24.8128 374.484 PRESSAVG: 3782600 -36.0909 6.52575 -14.0451 6.52575 17.4802 40.5406 -14.0452 40.5405 18.4606 GPRESSAVG: 3782600 -36.535 5.85397 -15.3606 5.05536 16.8642 39.2383 -12.0839 40.9628 20.0419 TIMING: 3782600 CPU: 10958.8, 0.002868/step Wall: 10958.8, 0.002868/step, 0.969861 hours remaining, 212.347656 MB of memory in use. ENERGY: 3782600 699.4162 2136.7218 1952.5780 123.5418 -206253.3162 17833.3389 0.0000 0.0000 34354.0219 -149153.6976 300.0222 -183507.7195 -149056.4124 299.3019 125.1478 155.3658 556546.2944 -0.0500 0.1237 PRESSURE: 3782800 -85.9204 74.779 64.5601 74.7799 74.2823 8.86819 64.5602 8.86939 42.6603 GPRESSURE: 3782800 -41.144 132.901 71.2752 41.4916 120.775 23.2924 38.1656 -7.1916 60.9152 PRESSAVG: 3782800 7.5309 4.04407 -10.6598 4.04403 -8.85286 23.0165 -10.6598 23.0166 19.3138 GPRESSAVG: 3782800 8.08726 4.88636 -12.0045 2.88473 -8.94979 22.8569 -11.5985 23.3036 18.8491 TIMING: 3782800 CPU: 10959.3, 0.00288533/step Wall: 10959.3, 0.00288533/step, 0.975562 hours remaining, 212.347656 MB of memory in use. ENERGY: 3782800 752.7628 2052.9750 1972.1639 107.6506 -206239.0924 17878.1917 0.0000 0.0000 34365.6623 -149109.6860 300.1239 -183475.3483 -149016.1361 300.2564 10.3407 46.8488 558376.0488 5.9973 5.9955 PRESSURE: 3783000 -12.4046 -29.9455 113.831 -29.945 40.4054 -45.1944 113.831 -45.1944 97.2846 GPRESSURE: 3783000 16.8789 20.4454 193.137 -45.4 37.3929 24.6505 32.4733 -62.3802 169.592 PRESSAVG: 3783000 -27.4964 31.4548 4.02524 31.4548 -17.7958 -19.5643 4.02525 -19.5644 41.1078 GPRESSAVG: 3783000 -29.0126 31.8138 4.20907 32.0026 -18.0694 -20.0667 4.74432 -19.0585 42.7532 TIMING: 3783000 CPU: 10959.9, 0.00287377/step Wall: 10959.9, 0.00287377/step, 0.971495 hours remaining, 212.347656 MB of memory in use. ENERGY: 3783000 727.3362 2102.3654 1969.4252 122.1536 -206150.9275 17804.8004 0.0000 0.0000 34125.9482 -149298.8984 298.0304 -183424.8466 -149199.2425 299.7456 41.7618 74.6214 556776.0646 -1.3948 -1.4429 PRESSURE: 3783200 -180.789 -68.0107 -137.8 -68.0106 -78.013 262.159 -137.801 262.159 -55.4345 GPRESSURE: 3783200 -108.965 -104.267 -148.399 -37.025 -43.0498 266.696 -132.359 256.052 -74.2772 PRESSAVG: 3783200 24.5239 -36.1777 -8.00978 -36.1776 -35.1085 10.286 -8.00981 10.286 11.9433 GPRESSAVG: 3783200 25.8352 -35.2021 -8.61485 -37.1378 -34.5603 9.43661 -7.10033 9.28662 10.2354 TIMING: 3783200 CPU: 10960.5, 0.00288516/step Wall: 10960.5, 0.00288516/step, 0.975183 hours remaining, 212.347656 MB of memory in use. ENERGY: 3783200 773.3968 2120.5322 1960.2232 111.6328 -206145.7833 17503.8635 0.0000 0.0000 34275.4244 -149400.7104 299.3358 -183676.1347 -149301.6852 298.6169 -104.7455 -75.4307 555780.9508 0.4529 0.5034 PRESSURE: 3783400 122.171 32.6472 -161.011 32.6497 181.619 110.932 -161.012 110.931 -36.9846 GPRESSURE: 3783400 116.07 61.6654 -69.8353 88.7691 207.874 81.064 -110.415 200.896 31.9837 PRESSAVG: 3783400 -20.0924 13.4838 1.08095 13.4838 9.34316 76.3763 1.08097 76.3764 -18.9019 GPRESSAVG: 3783400 -20.4962 11.7607 1.21458 14.9131 8.71915 77.8694 1.41094 76.5056 -17.9103 TIMING: 3783400 CPU: 10961.1, 0.00286431/step Wall: 10961.1, 0.00286431/step, 0.967979 hours remaining, 212.347656 MB of memory in use. ENERGY: 3783400 714.3531 2086.3282 1978.6144 117.6055 -206508.0004 17848.7418 0.0000 0.0000 34313.6631 -149448.6944 299.6698 -183762.3575 -149350.2667 298.7013 88.9352 118.6424 555033.1452 -9.8837 -9.8958 PRESSURE: 3783600 -60.5221 15.6765 -44.1414 15.6759 -226.611 -230.113 -44.1415 -230.113 -194.73 GPRESSURE: 3783600 -15.9226 -18.4748 -61.2135 36.0142 -181.295 -206.399 24.3386 -312.436 -196.024 PRESSAVG: 3783600 45.1538 4.48965 41.4557 4.48958 58.1585 32.7134 41.4558 32.7135 -70.622 GPRESSAVG: 3783600 45.1335 5.02813 42.7486 4.34667 58.367 32.3484 39.8252 32.9009 -70.7481 TIMING: 3783600 CPU: 10961.6, 0.00286795/step Wall: 10961.6, 0.00286795/step, 0.96905 hours remaining, 212.347656 MB of memory in use. ENERGY: 3783600 775.6931 2071.7603 1976.8766 106.4269 -206081.0926 17635.5262 0.0000 0.0000 34160.5023 -149354.3073 298.3322 -183514.8095 -149250.6225 298.5292 -160.6209 -131.0806 556042.1609 10.8967 10.9175 PRESSURE: 3783800 -205.44 -30.9274 -100.26 -30.9276 11.7844 12.6303 -100.26 12.6307 165.657 GPRESSURE: 3783800 -157.69 -81.146 -97.9163 -83.52 -49.1692 -18.7451 -80.1516 -102.566 288.878 PRESSAVG: 3783800 -25.9919 -44.5803 -4.28189 -44.5803 -29.0123 29.1719 -4.28185 29.172 9.23759 GPRESSAVG: 3783800 -24.5151 -45.5535 -5.58769 -45.4211 -29.6023 32.9365 -6.12155 26.6472 9.07789 TIMING: 3783800 CPU: 10962.2, 0.00286387/step Wall: 10962.2, 0.00286387/step, 0.967512 hours remaining, 212.347656 MB of memory in use. ENERGY: 3783800 762.5798 2076.2220 1931.4072 122.8197 -206757.2925 18031.0163 0.0000 0.0000 34274.1577 -149559.0898 299.3247 -183833.2475 -149470.9184 298.7202 -9.3330 27.3397 557077.9832 -15.2555 -15.0132 PRESSURE: 3784000 -33.9205 27.1477 133.143 27.1468 56.6472 94.2087 133.142 94.2082 38.2869 GPRESSURE: 3784000 19.3003 95.6443 51.8379 23.2701 62.8893 109.794 97.8203 124.984 76.2455 PRESSAVG: 3784000 -31.2069 -25.4921 -41.2729 -25.4921 35.1294 79.2531 -41.2729 79.2531 26.1684 GPRESSAVG: 3784000 -32.6342 -24.5291 -40.4251 -25.786 36.1223 74.7923 -42.3568 81.7165 26.7559 TIMING: 3784000 CPU: 10962.8, 0.00286433/step Wall: 10962.8, 0.00286433/step, 0.967507 hours remaining, 212.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3784000 712.2499 2075.5402 1953.2990 113.6701 -206282.0687 17793.4454 0.0000 0.0000 34137.9429 -149495.9213 298.1351 -183633.8642 -149401.7358 298.3947 20.3379 52.8117 557287.9671 10.0303 10.0814 PRESSURE: 3784200 -73.6351 51.1523 32.3126 51.1524 -65.994 135.211 32.3114 135.212 -204.62 GPRESSURE: 3784200 -79.0893 62.6501 -34.9719 45.004 -11.2651 107.797 8.46017 188.516 -162.848 PRESSAVG: 3784200 -13.9851 47.4552 -30.3469 47.4551 33.7529 57.758 -30.3469 57.758 -12.4816 GPRESSAVG: 3784200 -13.8336 48.9873 -31.2468 47.5943 34.4757 58.5858 -26.9831 57.9963 -13.2379 TIMING: 3784200 CPU: 10963.3, 0.00285938/step Wall: 10963.3, 0.00285938/step, 0.965676 hours remaining, 212.347656 MB of memory in use. ENERGY: 3784200 758.1642 2090.1979 1942.8509 103.6761 -205867.2200 17650.6683 0.0000 0.0000 34071.8350 -149249.8276 297.5578 -183321.6627 -149157.5083 298.5615 -114.7498 -84.4008 557971.9719 2.4288 2.4681 LDB: ============= START OF LOAD BALANCING ============== 10966.7 LDB: ============== END OF LOAD BALANCING =============== 10966.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10966.7 LDB: ============= START OF LOAD BALANCING ============== 10967 LDB: Largest compute 4773 load 0.024393 is 20.7% of average load 0.118080 LDB: Average compute 0.001740 is 1.5% of average load 0.118080 LDB: TIME 10967 LOAD: AVG 0.11808 MAX 0.178554 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.082 MB LDB: TIME 10967 LOAD: AVG 0.11808 MAX 0.178554 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: TIME 10967 LOAD: AVG 0.11808 MAX 0.178554 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.324 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10967 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10967 PRESSURE: 3784400 -511.865 25.9991 -17.0397 26.0008 94.964 -139.275 -17.0384 -139.275 -107.25 GPRESSURE: 3784400 -482.86 21.9643 -19.9403 -70.481 126.29 -45.0632 96.9872 -136.701 -73.7905 PRESSAVG: 3784400 18.2993 -23.7332 33.2553 -23.7332 55.7546 -6.73919 33.2553 -6.73916 -67.4781 GPRESSAVG: 3784400 17.7582 -25.8071 35.0672 -23.4878 55.613 -6.21433 30.6623 -7.15107 -66.8802 TIMING: 3784400 CPU: 10963.9, 0.00293981/step Wall: 10963.9, 0.00293981/step, 0.992676 hours remaining, 210.980469 MB of memory in use. ENERGY: 3784400 757.6391 2146.3370 1962.8493 109.3845 -205880.0248 17470.9972 0.0000 0.0000 34277.6706 -149155.1472 299.3554 -183432.8178 -149056.4168 299.6918 -174.7173 -143.4537 555731.3597 2.1919 2.1637 PRESSURE: 3784600 162.861 85.7214 51.9261 85.7219 44.2162 -105.871 51.9255 -105.87 91.9018 GPRESSURE: 3784600 151.853 151.841 -18.7782 -3.04843 89.601 6.06399 173.543 -127.721 153.846 PRESSAVG: 3784600 -21.3652 5.31802 -3.67286 5.31802 37.47 9.54105 -3.67286 9.54112 -11.4787 GPRESSAVG: 3784600 -20.8514 5.20036 -5.89463 6.96023 36.4897 8.47204 -1.54053 11.331 -11.4549 TIMING: 3784600 CPU: 10964.5, 0.00287934/step Wall: 10964.5, 0.00287933/step, 0.972095 hours remaining, 211.183594 MB of memory in use. ENERGY: 3784600 732.3368 2130.8333 1930.1711 109.8594 -206140.8086 17834.3257 0.0000 0.0000 34216.9568 -149186.3254 298.8252 -183403.2822 -149091.6632 299.2602 99.6596 131.7666 555896.9066 1.5420 1.3945 PRESSURE: 3784800 114.264 33.9315 72.0377 33.9286 163.388 -40.4842 72.0368 -40.4847 -336.47 GPRESSURE: 3784800 165.643 -2.62249 36.2547 82.8836 154.999 -68.8404 111.41 -51.2336 -266.585 PRESSAVG: 3784800 4.20567 17.8499 14.1161 17.85 19.2431 -36.1734 14.116 -36.1733 -64.6118 GPRESSAVG: 3784800 3.95292 17.7121 15.3594 16.0663 18.9992 -33.3102 12.7199 -38.7237 -64.6634 TIMING: 3784800 CPU: 10965.1, 0.00286171/step Wall: 10965.1, 0.00286171/step, 0.965986 hours remaining, 211.183594 MB of memory in use. ENERGY: 3784800 746.1378 2083.3079 1939.8962 114.6904 -206133.7752 17778.7765 0.0000 0.0000 34086.9064 -149384.0601 297.6894 -183470.9665 -149287.0728 298.4199 -19.6059 18.0187 555877.8718 -13.7210 -13.9037 PRESSURE: 3785000 -338.6 89.8475 -58.2119 89.8482 -110.235 -130.794 -58.2125 -130.793 -279.256 GPRESSURE: 3785000 -315.336 58.7172 -87.143 72.4512 -36.2836 -106.106 -25.3662 -137.252 -287.267 PRESSAVG: 3785000 -13.7703 20.221 10.0584 20.2209 -3.12762 5.17428 10.0584 5.17436 -41.8637 GPRESSAVG: 3785000 -15.5592 19.5664 8.2026 20.2229 -1.79237 7.39237 9.16636 3.57118 -41.2126 TIMING: 3785000 CPU: 10965.7, 0.00286306/step Wall: 10965.7, 0.00286306/step, 0.966284 hours remaining, 211.183594 MB of memory in use. ENERGY: 3785000 788.9816 2096.7486 1944.3989 125.1528 -206127.7317 17554.4070 0.0000 0.0000 34338.2149 -149279.8279 299.8842 -183618.0428 -149184.9923 299.1363 -242.6970 -212.9621 556490.7308 -19.5872 -19.5214 PRESSURE: 3785200 -162.575 92.2129 69.4376 92.2126 -197.133 146.73 69.4373 146.73 -26.3092 GPRESSURE: 3785200 -140.671 159.704 103.152 31.2362 -177.291 202.825 35.7504 113.4 22.5092 PRESSAVG: 3785200 -40.7175 -21.9582 -12.1687 -21.9581 28.3072 5.30472 -12.1687 5.30474 18.8501 GPRESSAVG: 3785200 -39.4282 -21.8303 -10.1686 -21.703 27.4149 3.25278 -10.6595 6.49511 18.4547 TIMING: 3785200 CPU: 10966.2, 0.00286388/step Wall: 10966.2, 0.00286388/step, 0.966401 hours remaining, 211.183594 MB of memory in use. ENERGY: 3785200 778.6845 2082.6198 1932.8362 125.8875 -205785.2541 17629.9639 0.0000 0.0000 34088.7773 -149146.4848 297.7058 -183235.2621 -149052.5658 299.2057 -128.6727 -98.4843 558195.8437 2.1466 2.1472 PRESSURE: 3785400 92.5434 75.8233 5.53652 75.8234 5.82112 167.199 5.53753 167.202 127.624 GPRESSURE: 3785400 138.15 118.822 30.8304 61.2445 29.2786 244.988 13.3339 85.6355 158.343 PRESSAVG: 3785400 24.4137 39.0368 -18.5717 39.0368 -29.5949 -0.614682 -18.5716 -0.614773 10.2487 GPRESSAVG: 3785400 23.925 37.7794 -17.9394 42.3197 -30.0598 -1.62062 -20.433 1.8188 10.5153 TIMING: 3785400 CPU: 10966.8, 0.0028905/step Wall: 10966.8, 0.0028905/step, 0.975221 hours remaining, 211.183594 MB of memory in use. ENERGY: 3785400 755.5520 2030.2511 1944.5668 110.8058 -206573.0614 18088.4329 0.0000 0.0000 34321.4024 -149322.0504 299.7373 -183643.4528 -149223.3493 299.1777 75.3293 108.5908 556844.9615 1.6892 1.4602 PRESSURE: 3785600 -27.7985 27.3033 9.43451 27.3048 -97.7855 -35.2701 9.43448 -35.27 -71.9069 GPRESSURE: 3785600 -16.0581 86.0714 10.3157 -28.9876 -33.0377 -52.7559 -41.5376 24.6708 -53.0236 PRESSAVG: 3785600 4.8094 25.4106 29.5416 25.4107 10.1607 -44.4704 29.5415 -44.4704 -4.24863 GPRESSAVG: 3785600 5.89789 26.5405 27.3868 22.2962 9.67122 -45.0493 30.6771 -45.4812 -5.36124 TIMING: 3785600 CPU: 10967.4, 0.00288582/step Wall: 10967.4, 0.00288582/step, 0.973485 hours remaining, 211.250000 MB of memory in use. ENERGY: 3785600 756.0743 2142.2714 1942.3794 113.4670 -205845.1300 17682.7500 0.0000 0.0000 33820.2611 -149387.9267 295.3608 -183208.1879 -149291.5625 298.2585 -65.8303 -34.0398 557695.3550 3.5738 3.4026 PRESSURE: 3785800 -61.4455 8.68804 -58.2771 8.68863 -106.134 62.9457 -58.2787 62.9457 -212.314 GPRESSURE: 3785800 -41.841 36.4174 -143.393 18.8067 -93.2217 102.515 93.6889 77.5013 -149.35 PRESSAVG: 3785800 -10.8786 38.1206 -50.5535 38.1206 -16.2313 9.8823 -50.5536 9.88229 -2.3535 GPRESSAVG: 3785800 -10.851 38.0672 -49.1808 38.9566 -16.1518 11.0225 -52.2112 7.01705 -2.20716 TIMING: 3785800 CPU: 10968, 0.00287461/step Wall: 10968, 0.00287461/step, 0.969542 hours remaining, 211.250000 MB of memory in use. ENERGY: 3785800 735.9608 2094.6150 1940.0219 126.6465 -206071.3263 17630.0501 0.0000 0.0000 34110.5627 -149433.4693 297.8960 -183544.0320 -149338.7523 298.0844 -126.6311 -94.8041 558042.4713 -9.8211 -9.7366 PRESSURE: 3786000 128.858 172.827 143.137 172.826 93.7105 -30.003 143.137 -30.0034 -274.088 GPRESSURE: 3786000 187.465 93.6314 138.328 187.689 69.4978 4.77846 98.0026 -57.4181 -218.46 PRESSAVG: 3786000 81.4845 14.1146 -33.2302 14.1146 -49.7552 0.183907 -33.2302 0.183788 -1.99103 GPRESSAVG: 3786000 81.1444 14.0754 -31.4846 15.2445 -48.5703 -1.18988 -30.7755 1.34409 -3.00563 TIMING: 3786000 CPU: 10968.5, 0.00287375/step Wall: 10968.5, 0.00287375/step, 0.969091 hours remaining, 211.250000 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: 3786000 801.4505 2047.2827 1948.0120 118.8993 -205813.7715 17728.9763 0.0000 0.0000 33842.1609 -149326.9900 295.5520 -183169.1509 -149236.7555 298.3071 -17.1731 12.8345 556910.6491 9.9127 9.8561 PRESSURE: 3786200 -109.956 -60.7048 29.7749 -60.7051 139.714 46.0786 29.7757 46.079 -79.6048 GPRESSURE: 3786200 -48.8451 -189.699 28.1275 -47.7224 136.568 2.74726 66.791 65.3011 -35.987 PRESSAVG: 3786200 68.7724 -8.43381 14.1744 -8.43382 -5.77676 -22.1886 14.1744 -22.1887 8.03079 GPRESSAVG: 3786200 69.1086 -7.74316 13.736 -10.4798 -7.54167 -21.2237 12.054 -21.563 9.23744 TIMING: 3786200 CPU: 10969.1, 0.00287825/step Wall: 10969.1, 0.00287825/step, 0.970451 hours remaining, 211.250000 MB of memory in use. ENERGY: 3786200 737.8628 2093.1845 1949.7920 101.5122 -206091.2144 17831.2268 0.0000 0.0000 34173.0415 -149204.5945 298.4417 -183377.6360 -149108.1022 298.6887 -16.6154 17.2452 558200.5166 23.6755 23.6015 PRESSURE: 3786400 79.8989 -50.2903 -36.8146 -50.2897 -76.8328 59.4521 -36.8145 59.4519 30.0009 GPRESSURE: 3786400 126.501 22.0051 -91.5973 -58.7182 -46.5111 44.9414 13.5984 37.0048 44.362 PRESSAVG: 3786400 -27.5024 -39.1358 24.4242 -39.1357 -14.6576 -36.4209 24.4242 -36.4209 2.11752 GPRESSAVG: 3786400 -28.591 -39.8062 22.6228 -36.8705 -12.7247 -37.3254 26.0676 -35.1535 1.05123 TIMING: 3786400 CPU: 10969.7, 0.00287974/step Wall: 10969.7, 0.00287974/step, 0.970793 hours remaining, 211.250000 MB of memory in use. ENERGY: 3786400 725.2457 2102.1901 1943.2142 114.3130 -206158.1597 17868.2402 0.0000 0.0000 34127.6149 -149277.3416 298.0449 -183404.9565 -149180.8599 298.3977 11.0223 41.4505 557099.7932 -13.3475 -13.4215 PRESSURE: 3786600 -29.3153 -53.4686 42.7504 -53.4683 -26.0409 -1.19942 42.7501 -1.20045 -103.006 GPRESSURE: 3786600 -21.9184 11.8269 -10.9373 -81.7528 -10.8103 -68.9236 36.4379 14.4071 -33.3306 PRESSAVG: 3786600 28.2581 13.3051 4.99782 13.3051 -9.15387 29.972 4.99778 29.972 0.50341 GPRESSAVG: 3786600 28.3655 12.8322 4.82067 13.4442 -10.7754 31.0158 3.61965 25.9886 2.14211 TIMING: 3786600 CPU: 10970.3, 0.0028882/step Wall: 10970.3, 0.0028882/step, 0.973483 hours remaining, 211.250000 MB of memory in use. ENERGY: 3786600 725.2781 2102.9580 1950.3853 104.0407 -206255.3688 17719.7943 0.0000 0.0000 34188.5796 -149464.3327 298.5774 -183652.9124 -149366.8945 298.9290 -52.7873 -22.0198 557608.8323 6.5359 6.5774 PRESSURE: 3786800 -21.1035 32.6349 -147.152 32.6354 -239.524 12.7149 -147.152 12.7151 -223.071 GPRESSURE: 3786800 -24.1618 28.6493 -123.678 31.6579 -180.524 32.7248 -104.85 16.036 -179.409 PRESSAVG: 3786800 -18.9861 -4.2111 -27.6492 -4.21116 19.2613 22.397 -27.6491 22.397 26.09 GPRESSAVG: 3786800 -18.3368 -2.06496 -26.5535 -5.07524 19.0672 22.2179 -26.996 25.7834 25.7331 TIMING: 3786800 CPU: 10970.8, 0.00289463/step Wall: 10970.8, 0.00289463/step, 0.975491 hours remaining, 211.250000 MB of memory in use. ENERGY: 3786800 765.1433 2070.0132 1930.8129 103.5697 -206275.8762 17623.6916 0.0000 0.0000 34495.3414 -149287.3041 301.2564 -183782.6455 -149187.2892 299.0364 -161.2330 -128.0316 557385.8213 8.7884 8.8212 PRESSURE: 3787000 123.785 -60.8837 -15.3885 -60.8839 -20.3317 129.761 -15.3879 129.761 -145.911 GPRESSURE: 3787000 192.745 -13.545 -81.7092 -73.103 -21.6774 163.07 52.9002 111.129 -112.644 PRESSAVG: 3787000 36.9092 31.6993 17.6644 31.6993 44.1831 -29.9026 17.6643 -29.9025 -59.7944 GPRESSAVG: 3787000 36.0348 30.5491 16.2961 30.1171 44.4629 -29.2578 17.7289 -33.1853 -59.2773 TIMING: 3787000 CPU: 10971.4, 0.00288127/step Wall: 10971.4, 0.00288127/step, 0.970828 hours remaining, 211.250000 MB of memory in use. ENERGY: 3787000 738.4478 2071.2031 1948.9919 106.1636 -206259.4636 17801.0855 0.0000 0.0000 34163.0623 -149430.5093 298.3545 -183593.5716 -149333.6242 298.8635 -14.1526 19.4747 557067.1743 7.0993 7.0735 PRESSURE: 3787200 -203.247 -125.72 60.2261 -125.721 48.5719 -166.15 60.2271 -166.15 51.9025 GPRESSURE: 3787200 -176.312 -25.1464 4.15964 -187.635 98.2795 -81.8792 99.7026 -214.435 66.3909 PRESSAVG: 3787200 48.2426 -31.897 40.9219 -31.8971 11.8404 0.224064 40.9218 0.224147 -57.7103 GPRESSAVG: 3787200 48.7145 -33.1644 40.2067 -30.5034 12.9403 0.296104 39.6379 3.81501 -59.1683 TIMING: 3787200 CPU: 10972, 0.00290474/step Wall: 10972, 0.00290474/step, 0.978575 hours remaining, 211.250000 MB of memory in use. ENERGY: 3787200 748.3951 2074.9223 1944.6091 117.3917 -206115.9852 17761.7432 0.0000 0.0000 34086.8173 -149382.1065 297.6887 -183468.9238 -149289.0663 298.9489 -34.2577 -3.8807 557271.9572 0.7909 0.8288 PRESSURE: 3787400 51.6411 -23.6498 28.3521 -23.6494 -160.291 36.1865 28.353 36.184 -68.4682 GPRESSURE: 3787400 62.0591 -4.38476 42.4444 -29.5801 -85.4718 31.5733 -32.4285 92.9466 -44.6843 PRESSAVG: 3787400 22.9631 9.58604 26.1973 9.5861 -2.84553 -59.7912 26.1973 -59.7913 -6.82733 GPRESSAVG: 3787400 23.1054 10.5032 28.6049 9.6601 -1.94163 -59.6855 25.0794 -60.8678 -7.60069 TIMING: 3787400 CPU: 10972.6, 0.00290673/step Wall: 10972.6, 0.00290673/step, 0.979085 hours remaining, 211.250000 MB of memory in use. ENERGY: 3787400 751.7225 2075.6228 1939.6501 99.1797 -206349.4331 17798.5209 0.0000 0.0000 34364.3489 -149320.3882 300.1124 -183684.7371 -149226.3719 299.6625 -59.0393 -22.6990 555621.9742 4.4301 4.5210 PRESSURE: 3787600 -171.422 15.3321 27.0509 15.3328 49.0522 52.8781 27.0516 52.8774 115.335 GPRESSURE: 3787600 -95.2463 -24.4962 110.623 9.10122 74.4072 15.3695 25.091 91.0834 113.011 PRESSAVG: 3787600 -4.95707 -3.51473 6.95911 -3.51469 5.64035 24.7348 6.95903 24.7348 -13.5136 GPRESSAVG: 3787600 -5.72315 -0.948459 5.77125 -4.68752 5.36025 24.6539 9.04241 24.3567 -12.6953 TIMING: 3787600 CPU: 10973.2, 0.00288967/step Wall: 10973.2, 0.00288967/step, 0.973176 hours remaining, 211.250000 MB of memory in use. ENERGY: 3787600 744.5915 2073.8192 1966.0016 109.9021 -206263.4233 17838.1800 0.0000 0.0000 34156.6427 -149374.2862 298.2985 -183530.9290 -149283.2799 299.6022 -2.3449 30.7240 556687.1929 -4.2768 -4.3527 PRESSURE: 3787800 0.406077 78.4386 -50.713 78.4378 44.3714 58.5738 -50.7137 58.5731 -79.0738 GPRESSURE: 3787800 18.7682 55.9951 -20.4517 102.799 101.775 41.7914 -67.5353 44.6473 -52.8049 PRESSAVG: 3787800 24.4649 2.36144 20.0767 2.36152 31.9564 -26.1769 20.0767 -26.1769 -56.6355 GPRESSAVG: 3787800 25.8968 0.550852 19.3348 4.95228 30.548 -27.1322 21.0076 -26.1393 -56.5801 TIMING: 3787800 CPU: 10973.7, 0.00287935/step Wall: 10973.7, 0.00287935/step, 0.969543 hours remaining, 211.250000 MB of memory in use. ENERGY: 3787800 744.0685 2067.2279 1955.6723 116.2242 -206414.2712 17762.9865 0.0000 0.0000 34339.8503 -149428.2415 299.8985 -183768.0918 -149330.9252 299.2769 -11.4321 22.5793 556483.1622 -0.0714 -0.0451 PRESSURE: 3788000 -262.788 -54.2548 12.1457 -54.2555 -83.3647 16.4431 12.1452 16.4426 -303.407 GPRESSURE: 3788000 -212.381 -103.885 23.2746 8.52827 -34.1838 -5.23235 -34.7807 51.9524 -307.614 PRESSAVG: 3788000 -7.08786 10.1276 7.65834 10.1277 16.9014 25.1976 7.65829 25.1976 -14.7836 GPRESSAVG: 3788000 -6.27687 10.9362 10.1973 7.44255 17.6096 26.2776 5.01253 26.9452 -15.6319 TIMING: 3788000 CPU: 10974.3, 0.00288898/step Wall: 10974.3, 0.00288898/step, 0.972622 hours remaining, 211.250000 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: 3788000 753.7710 2072.8454 1958.2982 117.6945 -205698.3727 17415.9156 0.0000 0.0000 34004.8111 -149375.0369 296.9725 -183379.8480 -149282.2323 298.5950 -216.5198 -184.7262 557594.3099 -1.6567 -1.4330 PRESSURE: 3788200 -112.66 24.5146 -85.5552 24.514 34.5389 1.2387 -85.5548 1.23892 261.291 GPRESSURE: 3788200 -30.4309 70.8784 -78.8918 3.54212 62.5895 36.7499 -74.9257 16.7799 259.678 PRESSAVG: 3788200 -83.6802 9.54862 8.85459 9.54855 -11.6501 -5.9288 8.85458 -5.92886 63.7797 GPRESSAVG: 3788200 -86.5233 8.46698 6.64435 9.80474 -10.6888 -5.3835 12.8582 -7.51382 65.4702 TIMING: 3788200 CPU: 10974.9, 0.00289977/step Wall: 10974.9, 0.00289977/step, 0.976096 hours remaining, 211.250000 MB of memory in use. ENERGY: 3788200 729.6624 2063.1974 1936.7044 107.9615 -206170.1506 17807.4653 0.0000 0.0000 34321.9122 -149203.2474 299.7418 -183525.1597 -149106.8834 299.1943 61.0565 97.2789 556892.7884 -10.5169 -10.5807 LDB: ============= START OF LOAD BALANCING ============== 10978.3 LDB: ============== END OF LOAD BALANCING =============== 10978.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10978.3 LDB: ============= START OF LOAD BALANCING ============== 10978.6 LDB: Largest compute 4773 load 0.025314 is 21.4% of average load 0.118018 LDB: Average compute 0.001734 is 1.5% of average load 0.118018 LDB: TIME 10978.6 LOAD: AVG 0.118018 MAX 0.176446 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.008 MB LDB: TIME 10978.6 LOAD: AVG 0.118018 MAX 0.176446 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.207 MB LDB: TIME 10978.6 LOAD: AVG 0.118018 MAX 0.176446 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.207 MB LDB: ============== END OF LOAD BALANCING =============== 10978.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10978.6 PRESSURE: 3788400 -117.737 -146.178 49.3207 -146.178 -304.292 77.0646 49.319 77.0648 50.7861 GPRESSURE: 3788400 -103.564 -208.49 37.5518 -81.7682 -232.435 173.445 -63.8437 -1.39711 66.5386 PRESSAVG: 3788400 -16.1569 -24.7537 -31.5451 -24.7538 7.18829 11.0713 -31.5452 11.0713 42.3773 GPRESSAVG: 3788400 -15.5426 -24.3715 -29.6809 -24.094 7.39492 10.3468 -34.3447 11.388 41.2233 TIMING: 3788400 CPU: 10975.5, 0.00293042/step Wall: 10975.5, 0.00293042/step, 0.986251 hours remaining, 210.281250 MB of memory in use. ENERGY: 3788400 773.5091 2061.2141 1942.8274 109.0521 -206213.6854 17754.6490 0.0000 0.0000 34210.4457 -149361.9881 298.7683 -183572.4338 -149269.0717 299.6320 -123.7477 -89.8199 558530.6395 11.1362 11.0252 PRESSURE: 3788600 -275.159 -174.299 -87.6753 -174.297 83.3945 77.947 -87.6757 77.9469 -123.669 GPRESSURE: 3788600 -245.573 -177.395 -37.1847 -147.834 117.066 148.294 -142.794 85.6589 -95.1137 PRESSAVG: 3788600 -31.2891 -25.6702 -1.42013 -25.6703 -38.7114 -42.075 -1.42013 -42.075 38.3628 GPRESSAVG: 3788600 -31.0267 -23.88 -4.14056 -27.2273 -40.0323 -41.3418 1.52757 -42.0233 38.8247 TIMING: 3788600 CPU: 10976.1, 0.00286525/step Wall: 10976.1, 0.00286525/step, 0.964157 hours remaining, 210.281250 MB of memory in use. ENERGY: 3788600 724.5424 2098.2017 1936.7077 124.0970 -206135.4759 17674.5663 0.0000 0.0000 34168.1492 -149409.2115 298.3989 -183577.3607 -149316.6629 299.0838 -105.1446 -74.5402 557876.1220 -10.5459 -10.7448 PRESSURE: 3788800 -401.914 -218.303 -6.5987 -218.305 -446.146 64.6299 -6.59904 64.6304 -247.731 GPRESSURE: 3788800 -370.073 -209.933 -31.0956 -221.622 -442.285 -8.98308 -57.2759 38.7598 -192.851 PRESSAVG: 3788800 -42.5298 -41.4716 24.8855 -41.4716 0.904517 20.4124 24.8855 20.4126 29.5098 GPRESSAVG: 3788800 -43.0422 -41.5663 26.2907 -40.4156 2.27342 18.6091 23.2099 21.6861 28.8859 TIMING: 3788800 CPU: 10976.6, 0.00286925/step Wall: 10976.6, 0.00286925/step, 0.965342 hours remaining, 210.281250 MB of memory in use. ENERGY: 3788800 788.6421 2035.7997 1934.5613 99.8267 -205494.6331 17174.4946 0.0000 0.0000 34134.5339 -149326.7748 298.1054 -183461.3087 -149229.1128 299.0127 -365.2637 -335.0696 557905.2964 -4.0385 -3.9610 PRESSURE: 3789000 -264.583 46.2165 74.8952 46.2167 -209.365 -108.593 74.8956 -108.593 -394.012 GPRESSURE: 3789000 -251.704 32.4987 129.156 67.3307 -187.517 -46.9637 107.569 -84.6798 -355.126 PRESSAVG: 3789000 -40.7413 30.9534 17.2848 30.9534 -32.7938 17.6726 17.2849 17.6725 62.5848 GPRESSAVG: 3789000 -41.3211 30.634 17.1537 31.4201 -33.4551 17.9804 18.2977 16.6802 63.7266 TIMING: 3789000 CPU: 10977.2, 0.00287111/step Wall: 10977.2, 0.00287111/step, 0.965809 hours remaining, 210.281250 MB of memory in use. ENERGY: 3789000 756.7662 2096.4177 1963.8537 104.9376 -205471.1319 17368.5532 0.0000 0.0000 33909.4413 -149271.1621 296.1396 -183180.6034 -149173.7509 298.3366 -289.3200 -264.7822 559781.2045 -3.6501 -3.6832 PRESSURE: 3789200 -244.073 51.7897 43.7258 51.79 -321.418 155.511 43.7243 155.51 78.6096 GPRESSURE: 3789200 -241.564 17.4163 26.7076 54.6818 -284.566 152.237 60.363 142.152 130.999 PRESSAVG: 3789200 -3.03469 -18.1759 -22.4914 -18.1759 -79.0783 37.792 -22.4914 37.7922 111.915 GPRESSAVG: 3789200 -2.47472 -20.5836 -23.3072 -19.3413 -79.7651 37.1338 -22.9113 39.8426 112.002 TIMING: 3789200 CPU: 10977.8, 0.00286215/step Wall: 10977.8, 0.00286215/step, 0.962637 hours remaining, 210.281250 MB of memory in use. ENERGY: 3789200 771.0830 2029.4351 1962.6570 97.1767 -206012.1870 17716.8455 0.0000 0.0000 34348.4380 -149086.5518 299.9735 -183434.9898 -148987.6578 298.9737 -162.2939 -131.7103 559047.3524 9.9340 9.9208 PRESSURE: 3789400 -223.728 -188.332 -161.449 -188.332 0.727037 151.786 -161.449 151.788 -84.0094 GPRESSURE: 3789400 -212.864 -192.921 -234.863 -222.751 30.047 165.985 -111.073 154.511 -33.0354 PRESSAVG: 3789400 28.7598 -26.7119 -7.41488 -26.7119 -72.0946 5.61091 -7.41488 5.61089 37.6295 GPRESSAVG: 3789400 29.548 -25.6177 -5.57428 -25.8297 -72.8154 7.71971 -7.7448 5.17871 37.3991 TIMING: 3789400 CPU: 10978.3, 0.00286775/step Wall: 10978.3, 0.00286775/step, 0.964359 hours remaining, 210.281250 MB of memory in use. ENERGY: 3789400 733.9115 2028.0572 1952.0916 118.1107 -205890.7947 17704.8861 0.0000 0.0000 34224.1233 -149129.6143 298.8878 -183353.7376 -149033.9248 300.1340 -102.3367 -71.9508 559042.6206 -1.9017 -1.9561 PRESSURE: 3789600 -87.5732 146.69 95.9109 146.69 59.6005 -48.3866 95.9114 -48.3873 165.643 GPRESSURE: 3789600 -52.744 134.343 120.32 230.017 125.893 15.3935 50.3591 -52.5556 156.116 PRESSAVG: 3789600 -15.135 28.705 -42.4392 28.7051 35.2981 -8.02275 -42.4392 -8.02274 -38.4694 GPRESSAVG: 3789600 -16.4047 30.1158 -42.8118 28.4516 36.0863 -7.7463 -41.7277 -8.50696 -37.4665 TIMING: 3789600 CPU: 10978.9, 0.0028633/step Wall: 10978.9, 0.0028633/step, 0.962704 hours remaining, 210.281250 MB of memory in use. ENERGY: 3789600 731.7199 2082.9836 1970.6230 104.9768 -205934.7852 17744.2604 0.0000 0.0000 34207.8006 -149092.4208 298.7452 -183300.2214 -148991.2722 299.2893 45.8903 76.4215 557866.1579 -6.1021 -5.9283 PRESSURE: 3789800 -173.202 72.1083 5.31559 72.1093 161.539 -31.109 5.31707 -31.1099 -139.647 GPRESSURE: 3789800 -197.461 147.257 -18.8911 -0.358373 236.696 -12.7333 -3.16266 14.4421 -84.5747 PRESSAVG: 3789800 -54.1156 1.91022 -28.3871 1.91031 8.10416 -27.9155 -28.3871 -27.9155 -1.02297 GPRESSAVG: 3789800 -52.3971 2.7502 -28.0616 -1.11353 7.69817 -27.9071 -29.5235 -28.0817 -2.20249 TIMING: 3789800 CPU: 10979.5, 0.00286914/step Wall: 10979.5, 0.00286914/step, 0.964509 hours remaining, 210.281250 MB of memory in use. ENERGY: 3789800 750.4222 2074.0585 1944.4350 105.2133 -205872.6775 17712.6565 0.0000 0.0000 34016.0972 -149269.7947 297.0710 -183285.8919 -149176.0962 299.6289 -50.4368 -15.1133 558026.4635 -15.6781 -15.6338 PRESSURE: 3790000 10.5904 0.589384 109.475 0.592399 -76.3306 -74.0796 109.475 -74.0801 117.268 GPRESSURE: 3790000 98.374 6.85942 101.687 -61.0748 -42.8181 9.53254 131.5 -101.938 105.452 PRESSAVG: 3790000 -41.9897 12.7828 -13.0331 12.7827 21.3301 -19.5686 -13.033 -19.5685 1.6125 GPRESSAVG: 3790000 -42.0553 12.3878 -12.5083 13.1569 20.9008 -21.1776 -12.1302 -19.3452 2.3266 TIMING: 3790000 CPU: 10980.1, 0.00287904/step Wall: 10980.1, 0.00287904/step, 0.967678 hours remaining, 210.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3790000 731.5690 2096.7393 1943.8932 101.0488 -205873.8612 17759.3375 0.0000 0.0000 34058.4101 -149182.8632 297.4406 -183241.2734 -149089.1293 298.9042 17.1761 53.6692 558719.5143 -6.3490 -6.2760 PRESSURE: 3790200 -17.736 17.8932 162.775 17.893 272.911 70.149 162.776 70.1486 -220.332 GPRESSURE: 3790200 -21.0612 75.7031 70.7169 38.7379 284.404 -11.1369 116.851 70.8635 -140.412 PRESSAVG: 3790200 -16.3712 -44.3266 9.85826 -44.3266 17.474 -10.9489 9.85823 -10.9489 50.1701 GPRESSAVG: 3790200 -16.1771 -44.3678 9.93805 -42.976 17.4997 -13.1195 8.52753 -10.1515 49.6814 TIMING: 3790200 CPU: 10980.6, 0.00287431/step Wall: 10980.6, 0.00287431/step, 0.965926 hours remaining, 210.281250 MB of memory in use. ENERGY: 3790200 686.6639 2112.8377 1942.6207 110.5213 -206120.9215 17908.7076 0.0000 0.0000 34289.6886 -149069.8817 299.4604 -183359.5703 -148964.7260 299.6366 11.6143 40.9771 559230.8551 17.0910 17.0013 PRESSURE: 3790400 185.075 -141.453 36.7511 -141.452 -34.9234 -131.722 36.7525 -131.721 -74.1655 GPRESSURE: 3790400 228.41 -124.867 83.7922 -132.778 -48.9572 -153.112 19.6829 -112.084 -1.98184 PRESSAVG: 3790400 -56.5698 -0.789893 -41.3411 -0.789951 -4.66715 -21.6204 -41.3411 -21.6202 0.582549 GPRESSAVG: 3790400 -56.592 -0.412888 -40.3495 -0.655212 -3.45593 -17.3481 -39.4507 -24.6056 0.0160109 TIMING: 3790400 CPU: 10981.2, 0.00286596/step Wall: 10981.2, 0.00286596/step, 0.962962 hours remaining, 210.281250 MB of memory in use. ENERGY: 3790400 747.0083 2124.4572 1919.0093 111.6082 -206386.0905 17846.2707 0.0000 0.0000 34538.0133 -149099.7234 301.6291 -183637.7367 -149005.9022 300.0087 25.3288 59.1568 558312.1808 -20.2181 -20.0106 PRESSURE: 3790600 -159.479 32.3959 108.237 32.396 -146.273 -164.092 108.237 -164.091 -22.9329 GPRESSURE: 3790600 -95.657 -84.0458 141.086 130.1 -122.792 -244.668 92.914 -69.3372 -14.1881 PRESSAVG: 3790600 22.4995 -58.2579 10.5277 -58.2578 51.9886 -15.5939 10.5276 -15.5939 -52.5793 GPRESSAVG: 3790600 22.76 -60.0793 7.61578 -57.1996 52.601 -16.2038 10.4004 -14.8738 -52.9107 TIMING: 3790600 CPU: 10981.8, 0.00286637/step Wall: 10981.8, 0.00286637/step, 0.96294 hours remaining, 210.281250 MB of memory in use. ENERGY: 3790600 729.9138 2072.1724 1925.6589 113.4760 -205863.4459 17680.1078 0.0000 0.0000 34204.1560 -149137.9611 298.7134 -183342.1171 -149046.7459 299.5520 -109.5619 -77.5458 558539.6050 7.3029 7.4834 PRESSURE: 3790800 -219.762 42.6779 -7.4045 42.677 -469.314 -11.4731 -7.4032 -11.4743 -103.418 GPRESSURE: 3790800 -150.242 41.461 11.1166 34.7563 -480.828 6.15885 -45.7109 7.03204 -58.1285 PRESSAVG: 3790800 40.4308 -69.1918 3.55289 -69.1919 -37.7474 -7.49834 3.55292 -7.49832 -2.82289 GPRESSAVG: 3790800 39.7618 -68.5765 4.55497 -69.5363 -38.4923 -9.46208 3.35821 -7.13546 -1.50104 TIMING: 3790800 CPU: 10982.4, 0.00286588/step Wall: 10982.4, 0.00286588/step, 0.962617 hours remaining, 210.281250 MB of memory in use. ENERGY: 3790800 781.6952 2068.3520 1960.2826 119.8820 -205982.9444 17505.5436 0.0000 0.0000 34357.7976 -149189.3914 300.0552 -183547.1890 -149085.3504 299.4308 -264.1647 -229.7329 558348.3827 -0.0465 -0.0772 PRESSURE: 3791000 -63.0116 229.435 49.7116 229.436 221.785 -147.28 49.711 -147.282 -8.94136 GPRESSURE: 3791000 -33.2976 207.172 55.4581 252.813 266.409 -96.3038 101.708 -142.126 9.08753 PRESSAVG: 3791000 5.27929 -18.8508 -3.636 -18.8509 -22.425 -10.0152 -3.63601 -10.0152 2.76839 GPRESSAVG: 3791000 5.37125 -17.6065 -6.10139 -19.837 -22.6404 -9.15114 -1.04274 -9.29479 3.23257 TIMING: 3791000 CPU: 10982.9, 0.00287303/step Wall: 10982.9, 0.00287303/step, 0.964859 hours remaining, 210.281250 MB of memory in use. ENERGY: 3791000 816.8249 2101.5872 1944.6654 108.6724 -206317.1550 18054.7280 0.0000 0.0000 34209.8046 -149080.8726 298.7627 -183290.6771 -148990.3220 300.2301 49.9442 80.7329 557787.1142 -4.7925 -4.6788 PRESSURE: 3791200 -71.3045 319.988 64.2742 319.989 -114.087 -57.9958 64.2735 -57.9953 -168.423 GPRESSURE: 3791200 -59.7944 345.04 -44.1134 211.02 -28.9371 -127.124 123.104 8.52792 -166.535 PRESSAVG: 3791200 -36.2089 86.5122 -2.38616 86.5122 61.0449 19.3186 -2.38615 19.3187 -6.88377 GPRESSAVG: 3791200 -36.7765 86.7692 0.278388 86.6458 62.4838 19.1651 -6.26053 19.0091 -7.87502 TIMING: 3791200 CPU: 10983.5, 0.00287101/step Wall: 10983.5, 0.00287101/step, 0.964021 hours remaining, 210.281250 MB of memory in use. ENERGY: 3791200 758.0655 2066.1421 1960.6847 111.3380 -206193.1928 17745.2766 0.0000 0.0000 34453.6173 -149098.0686 300.8920 -183551.6860 -149004.1451 299.4010 -117.9384 -85.0887 557663.0862 5.9841 5.9441 PRESSURE: 3791400 -142.907 28.9767 -139.36 28.9777 251.827 13.8945 -139.36 13.8935 -124.672 GPRESSURE: 3791400 -162.822 88.2799 -167.382 -27.0838 253.956 39.6563 -228.891 17.0688 -18.7918 PRESSAVG: 3791400 9.46674 28.9925 -22.6047 28.9925 51.3251 -17.6934 -22.6047 -17.6935 -72.5097 GPRESSAVG: 3791400 9.75385 27.7351 -23.6544 30.1478 50.4598 -16.6305 -20.5896 -18.4706 -72.5467 TIMING: 3791400 CPU: 10984.1, 0.00286963/step Wall: 10984.1, 0.00286963/step, 0.963397 hours remaining, 210.281250 MB of memory in use. ENERGY: 3791400 706.6720 2088.7856 1940.9111 122.8571 -205845.7843 17591.2157 0.0000 0.0000 34105.3492 -149289.9936 297.8505 -183395.3428 -149199.4390 299.1815 -5.2503 24.1139 556885.4123 -3.9059 -4.1110 PRESSURE: 3791600 -273.965 24.302 96.42 24.303 42.5707 -1.74848 96.4199 -1.74805 99.4071 GPRESSURE: 3791600 -257.775 26.1043 111.512 46.081 105.665 -1.41232 173.762 20.1373 129.518 PRESSAVG: 3791600 -24.9748 0.467341 -20.0336 0.467394 11.3605 -12.6102 -20.0336 -12.6101 4.85683 GPRESSAVG: 3791600 -23.387 4.40299 -20.5675 -4.08017 11.128 -12.364 -20.0121 -12.3644 3.57682 TIMING: 3791600 CPU: 10984.7, 0.00287344/step Wall: 10984.7, 0.00287344/step, 0.964519 hours remaining, 210.281250 MB of memory in use. ENERGY: 3791600 740.3665 2128.4848 1983.8180 119.1501 -206014.3582 17748.8187 0.0000 0.0000 34068.6264 -149225.0937 297.5298 -183293.7201 -149132.0228 298.5022 -43.9958 -7.5306 558108.4076 -2.9191 -2.8941 PRESSURE: 3791800 -231.763 -72.9355 211.415 -72.9351 -185.458 -88.327 211.415 -88.3288 -306.353 GPRESSURE: 3791800 -225.32 -103.906 278.519 -35.578 -137.326 33.6636 190.651 -217.26 -279.533 PRESSAVG: 3791800 -28.4338 2.26204 -32.5455 2.26203 -12.0593 18.1375 -32.5455 18.1375 64.6456 GPRESSAVG: 3791800 -28.727 -0.200947 -32.7027 6.53942 -11.9519 16.0277 -34.7295 19.7855 65.0663 TIMING: 3791800 CPU: 10985.2, 0.00287081/step Wall: 10985.2, 0.00287081/step, 0.963477 hours remaining, 210.281250 MB of memory in use. ENERGY: 3791800 743.9686 2154.6837 1952.5610 120.2019 -205803.3250 17432.4448 0.0000 0.0000 34246.9401 -149152.5249 299.0870 -183399.4650 -149059.5089 299.1985 -241.1912 -214.0600 558042.3631 8.0509 8.1292 PRESSURE: 3792000 66.5619 -263.486 170.343 -263.486 -2.02231 92.2034 170.342 92.2027 18.0862 GPRESSURE: 3792000 101.048 -261.029 103.356 -152.836 29.4837 29.4796 122.891 115.505 48.5436 PRESSAVG: 3792000 16.0351 -11.4609 27.7459 -11.4608 -46.2087 25.0789 27.7458 25.0788 -37.1564 GPRESSAVG: 3792000 15.3447 -11.8961 27.8464 -13.0172 -46.8438 27.3489 28.2872 22.8132 -36.2863 TIMING: 3792000 CPU: 10985.8, 0.00285686/step Wall: 10985.8, 0.00285686/step, 0.958637 hours remaining, 210.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3792000 786.9023 2084.8144 1936.3057 121.5287 -206173.5329 17926.7233 0.0000 0.0000 34117.8027 -149199.4559 297.9593 -183317.2586 -149109.6557 299.2841 27.5419 59.6917 557684.7824 -22.4433 -22.5951 PRESSURE: 3792200 -105.66 120.969 37.5262 120.971 163.594 21.148 37.5257 21.1478 78.4768 GPRESSURE: 3792200 -65.2501 197.154 6.86921 74.2916 178.532 -5.29416 67.8696 82.6841 118.082 PRESSAVG: 3792200 -8.75418 7.4558 32.1929 7.4558 3.45342 1.33241 32.1929 1.33243 -18.6053 GPRESSAVG: 3792200 -7.63681 7.94186 32.5346 8.62769 3.15859 -0.475085 31.3585 3.56486 -19.2503 TIMING: 3792200 CPU: 10986.4, 0.0028655/step Wall: 10986.4, 0.0028655/step, 0.961375 hours remaining, 210.281250 MB of memory in use. ENERGY: 3792200 750.2083 2075.3056 1926.7263 106.0782 -206426.5980 17990.4362 0.0000 0.0000 34207.1314 -149370.7121 298.7394 -183577.8435 -149275.1179 298.6738 45.4704 77.1210 557333.8909 -7.9687 -7.9095 LDB: ============= START OF LOAD BALANCING ============== 10989.8 LDB: ============== END OF LOAD BALANCING =============== 10989.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10989.8 LDB: ============= START OF LOAD BALANCING ============== 10990 LDB: Largest compute 4773 load 0.025272 is 21.4% of average load 0.117992 LDB: Average compute 0.001726 is 1.5% of average load 0.117992 LDB: TIME 10990.1 LOAD: AVG 0.117992 MAX 0.177977 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.051 MB LDB: TIME 10990.1 LOAD: AVG 0.117992 MAX 0.177977 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.09 MB LDB: TIME 10990.1 LOAD: AVG 0.117992 MAX 0.177977 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.09 MB LDB: ============== END OF LOAD BALANCING =============== 10990.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10990.1 PRESSURE: 3792400 197.848 46.7634 117.766 46.7634 -477.489 -119.856 117.766 -119.857 26.9785 GPRESSURE: 3792400 213.271 15.066 128.976 13.69 -429.258 -21.1975 118.121 -169.475 71.1511 PRESSAVG: 3792400 -5.86261 -66.1949 34.2818 -66.1949 -39.3241 -21.5696 34.2818 -21.5695 50.6384 GPRESSAVG: 3792400 -6.50959 -66.1075 34.5301 -67.4373 -38.4364 -18.7236 34.9735 -24.7685 50.8426 TIMING: 3792400 CPU: 10987, 0.00291002/step Wall: 10987, 0.00291002/step, 0.97615 hours remaining, 213.429688 MB of memory in use. ENERGY: 3792400 738.6827 2084.0023 1952.8303 106.7791 -206039.4856 17676.5551 0.0000 0.0000 34240.5655 -149240.0706 299.0314 -183480.6362 -149144.4270 299.1559 -84.2209 -48.2786 557027.1401 1.8172 1.9655 PRESSURE: 3792600 -62.6873 -39.5772 -43.811 -39.5771 -186.315 78.1151 -43.8098 78.1156 -192.354 GPRESSURE: 3792600 -1.61893 -42.9458 -23.7111 8.48931 -196.541 74.2984 -74.2932 14.7868 -137.73 PRESSAVG: 3792600 16.0716 -12.0978 -17.8617 -12.0978 -71.5521 1.98173 -17.8616 1.9817 59.319 GPRESSAVG: 3792600 15.1421 -12.3265 -16.4655 -11.1314 -71.9471 0.428671 -18.167 4.5673 60.5373 TIMING: 3792600 CPU: 10987.5, 0.00285809/step Wall: 10987.5, 0.0028581/step, 0.958573 hours remaining, 213.632812 MB of memory in use. ENERGY: 3792600 765.1976 2080.4132 1947.0003 119.7048 -206341.7766 17896.3257 0.0000 0.0000 34289.0879 -149244.0472 299.4551 -183533.1350 -149153.6069 298.8890 -147.1187 -111.9633 557759.1093 1.2795 1.2441 PRESSURE: 3792800 -32.679 -14.1189 -95.5968 -14.1197 -4.06481 10.5004 -95.596 10.5011 247.185 GPRESSURE: 3792800 17.0228 -18.9515 -8.22481 24.3215 21.5104 35.0571 -30.7866 -43.3392 267.108 PRESSAVG: 3792800 35.4279 27.2231 41.4266 27.223 -63.1594 -15.816 41.4266 -15.8161 52.5933 GPRESSAVG: 3792800 36.1407 29.3289 40.1154 25.397 -62.2965 -16.9546 41.4364 -14.9862 50.8925 TIMING: 3792800 CPU: 10988.1, 0.00285808/step Wall: 10988.1, 0.00285808/step, 0.958408 hours remaining, 213.632812 MB of memory in use. ENERGY: 3792800 732.0571 2084.5756 1945.5046 114.1140 -206545.5117 18196.8827 0.0000 0.0000 34266.0895 -149206.2883 299.2543 -183472.3778 -149107.0678 299.5639 70.1471 101.8804 559375.4059 8.2872 8.2456 PRESSURE: 3793000 -16.2841 -25.3007 35.4828 -25.3012 -39.2811 -66.1627 35.4834 -66.1629 177.333 GPRESSURE: 3793000 -9.4564 52.3449 18.2286 -39.2576 16.0378 -27.421 88.14 -153.613 221.646 PRESSAVG: 3793000 24.1808 -19.7952 19.3492 -19.7952 1.51932 -27.4692 19.3491 -27.4693 -35.6857 GPRESSAVG: 3793000 23.4744 -20.6962 21.4354 -18.3777 1.18456 -26.2309 18.2598 -29.2095 -34.7417 TIMING: 3793000 CPU: 10988.7, 0.00286569/step Wall: 10988.7, 0.00286569/step, 0.960803 hours remaining, 213.632812 MB of memory in use. ENERGY: 3793000 734.3595 2112.2061 1934.6162 114.2834 -206035.4971 17846.1418 0.0000 0.0000 34320.8224 -148973.0678 299.7323 -183293.8901 -148880.4264 299.3032 40.5891 76.0757 558483.9881 -3.3285 -3.3609 PRESSURE: 3793200 -71.5736 26.3132 13.7513 26.314 121.697 -42.7313 13.7523 -42.7315 -61.5826 GPRESSURE: 3793200 -90.9865 -50.3447 50.6416 29.0441 199.19 -31.4443 -36.1724 -25.4261 -19.0731 PRESSAVG: 3793200 43.5666 56.7524 -28.7788 56.7524 61.7757 -1.64595 -28.7787 -1.646 -79.5939 GPRESSAVG: 3793200 42.619 55.4025 -29.6835 58.0529 63.2615 -2.58293 -26.9357 -2.521 -79.756 TIMING: 3793200 CPU: 10989.2, 0.00285921/step Wall: 10989.2, 0.00285921/step, 0.958472 hours remaining, 213.632812 MB of memory in use. ENERGY: 3793200 724.7537 2039.0937 1955.3271 117.2811 -205669.0487 17706.2502 0.0000 0.0000 34282.0693 -148844.2735 299.3938 -183126.3428 -148750.0298 300.5498 -3.8198 29.7100 557706.5398 8.5828 8.7082 PRESSURE: 3793400 -187.963 36.0528 177.509 36.0533 -96.6499 5.80498 177.509 5.80487 -30.0315 GPRESSURE: 3793400 -208.62 160.052 204.738 -54.948 -0.176962 71.9571 121.692 -28.0403 -12.9834 PRESSAVG: 3793400 32.732 93.7219 -15.2021 93.7221 46.5396 -29.0852 -15.2022 -29.0854 -20.0404 GPRESSAVG: 3793400 33.2456 93.1802 -16.9493 91.9992 46.2348 -25.5912 -15.3925 -29.4127 -19.8355 TIMING: 3793400 CPU: 10989.8, 0.00287329/step Wall: 10989.8, 0.00287329/step, 0.963032 hours remaining, 213.632812 MB of memory in use. ENERGY: 3793400 763.7742 2078.2480 1931.4572 104.1503 -205851.5919 17675.5511 0.0000 0.0000 34299.0461 -148999.3649 299.5421 -183298.4110 -148899.1962 299.6760 -104.8814 -73.9268 558493.6540 19.7437 19.8816 PRESSURE: 3793600 -92.0587 -96.2124 -45.4783 -96.2131 -121.291 -56.7636 -45.4778 -56.7632 -11.5445 GPRESSURE: 3793600 -23.4145 -82.3001 -0.682645 -106.897 -90.7203 1.16959 -48.9806 -58.313 -16.1102 PRESSAVG: 3793600 -22.1011 30.5199 -1.70201 30.5199 19.7082 -21.8237 -1.70189 -21.8236 -36.9283 GPRESSAVG: 3793600 -19.508 32.0625 -0.917369 30.1247 18.0941 -22.7204 -2.0441 -22.9117 -37.314 TIMING: 3793600 CPU: 10990.4, 0.00289305/step Wall: 10990.4, 0.00289305/step, 0.969493 hours remaining, 213.632812 MB of memory in use. ENERGY: 3793600 765.8388 2061.7206 1958.1189 127.8664 -205735.6108 17448.5675 0.0000 0.0000 34407.2648 -148966.2338 300.4872 -183373.4986 -148871.0595 299.9503 -74.9646 -43.4150 557334.7534 -13.1071 -12.9093 PRESSURE: 3793800 -66.3325 31.9199 19.5413 31.9199 -185.021 109.882 19.5407 109.881 -27.4792 GPRESSURE: 3793800 18.0598 127.82 -32.7703 98.3637 -170.21 85.0061 -9.92238 144.599 -49.6594 PRESSAVG: 3793800 48.6188 -65.4547 -18.0904 -65.4548 -5.49196 8.29499 -18.0905 8.29491 -20.9849 GPRESSAVG: 3793800 47.3032 -65.0478 -20.0228 -64.778 -5.27161 7.45245 -17.7928 10.0582 -20.1337 TIMING: 3793800 CPU: 10991, 0.00288928/step Wall: 10991, 0.00288928/step, 0.96807 hours remaining, 213.632812 MB of memory in use. ENERGY: 3793800 733.0482 2081.2560 1956.9741 115.0104 -205706.1766 17665.5922 0.0000 0.0000 34208.2256 -148946.0703 298.7489 -183154.2959 -148852.3203 299.7620 -92.9443 -67.2698 558278.3215 7.3806 7.2993 PRESSURE: 3794000 7.81398 88.9199 19.4454 88.9193 -64.8342 -24.6234 19.4447 -24.6244 10.6579 GPRESSURE: 3794000 50.4294 16.8782 34.0117 87.854 -56.9079 -37.6197 12.8805 -59.9488 56.2909 PRESSAVG: 3794000 12.6673 55.2279 -9.71563 55.2279 -33.053 -54.956 -9.7157 -54.9561 22.0275 GPRESSAVG: 3794000 12.8469 53.3193 -6.40667 55.8368 -31.7977 -56.1199 -8.12172 -54.7488 20.5814 TIMING: 3794000 CPU: 10991.6, 0.00290291/step Wall: 10991.6, 0.00290291/step, 0.972474 hours remaining, 213.632812 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: 3794000 780.2766 2072.4512 1935.3608 101.3655 -206079.6264 17927.8777 0.0000 0.0000 34286.8396 -148975.4552 299.4355 -183262.2947 -148887.9545 299.7487 -15.4541 16.6041 556828.0712 0.5473 0.5435 PRESSURE: 3794200 166.788 16.7558 -94.8719 16.7554 -70.2517 99.2861 -94.8718 99.2851 -29.023 GPRESSURE: 3794200 163.978 17.7302 -108.579 -30.6709 -7.56057 94.1382 -37.4199 67.503 16.3605 PRESSAVG: 3794200 -74.4166 4.54815 -23.7087 4.54817 31.2871 -18.3915 -23.7087 -18.3914 31.3022 GPRESSAVG: 3794200 -74.4641 5.15194 -24.9182 1.5616 30.9382 -17.3128 -25.7218 -19.5818 31.4602 TIMING: 3794200 CPU: 10992.1, 0.00288427/step Wall: 10992.1, 0.00288427/step, 0.966069 hours remaining, 213.632812 MB of memory in use. ENERGY: 3794200 729.8205 2079.6914 1942.6764 113.6336 -206376.9385 18066.0173 0.0000 0.0000 34323.0343 -149122.0651 299.7516 -183445.0994 -149016.2878 300.4987 22.5044 57.5927 556540.9168 -3.9424 -4.0219 PRESSURE: 3794400 58.1698 -24.4613 192.976 -24.4615 -182.998 -3.72305 192.977 -3.72389 22.465 GPRESSURE: 3794400 120.805 -77.4686 156.322 18.5323 -212.808 78.4926 124.457 -98.7999 93.129 PRESSAVG: 3794400 -14.5294 -19.5325 -34.924 -19.5324 28.7978 5.73515 -34.9241 5.73512 33.9072 GPRESSAVG: 3794400 -15.3923 -19.2918 -35.5015 -16.482 29.1086 5.57894 -32.4578 6.46564 33.9586 TIMING: 3794400 CPU: 10992.7, 0.00287443/step Wall: 10992.7, 0.00287443/step, 0.962615 hours remaining, 213.632812 MB of memory in use. ENERGY: 3794400 717.8795 2049.3067 1969.3825 128.2956 -206174.7866 17700.4781 0.0000 0.0000 34379.5847 -149229.8596 300.2455 -183609.4442 -149131.7015 299.3900 -34.1210 0.3751 556736.0785 16.0585 15.8917 PRESSURE: 3794600 -79.4198 100.369 113.076 100.37 -185.392 -78.5971 113.075 -78.596 -105.231 GPRESSURE: 3794600 -69.5721 48.4119 139.068 174.939 -107.461 -117.36 12.6225 -73.6711 -101.796 PRESSAVG: 3794600 -12.0393 -26.0692 57.9561 -26.0692 -6.50569 -2.60705 57.9561 -2.60702 -7.83857 GPRESSAVG: 3794600 -10.2497 -25.3134 58.4139 -26.2463 -8.45888 -1.80668 56.336 -2.99606 -7.66767 TIMING: 3794600 CPU: 10993.3, 0.00285189/step Wall: 10993.3, 0.00285189/step, 0.954908 hours remaining, 213.632812 MB of memory in use. ENERGY: 3794600 752.6749 2130.4985 1956.8137 112.1837 -205692.2589 17605.4004 0.0000 0.0000 34054.3956 -149080.2920 297.4055 -183134.6876 -148986.7490 299.9418 -123.3475 -92.9432 558901.8398 -8.7945 -8.7921 PRESSURE: 3794800 -271.581 -38.793 32.5943 -38.7927 -65.933 48.018 32.5937 48.0185 -288.657 GPRESSURE: 3794800 -264.603 -31.9302 -7.49046 -110.639 -43.7103 18.8509 53.4428 79.7211 -224.519 PRESSAVG: 3794800 -22.3308 -49.8555 69.0599 -49.8555 45.1076 -30.7988 69.0599 -30.7989 16.3726 GPRESSAVG: 3794800 -23.1876 -52.7038 70.4505 -50.8967 46.1202 -33.9375 69.9065 -28.8732 16.5434 TIMING: 3794800 CPU: 10993.9, 0.00287906/step Wall: 10993.9, 0.00287906/step, 0.963845 hours remaining, 213.632812 MB of memory in use. ENERGY: 3794800 766.4588 2025.0210 1940.0272 110.0321 -205607.6713 17424.0331 0.0000 0.0000 34160.4101 -149181.6890 298.3314 -183342.0991 -149088.1321 299.7375 -208.7237 -177.6109 558434.4149 13.0498 13.1587 PRESSURE: 3795000 78.842 -4.50055 -56.1996 -4.50151 163.082 99.3245 -56.2002 99.3232 154.188 GPRESSURE: 3795000 108.399 56.3372 -62.4125 -79.8761 186.835 77.5256 -25.08 7.32137 201.509 PRESSAVG: 3795000 -13.1625 -30.8172 51.3717 -30.8171 30.1447 24.9539 51.3717 24.9539 -7.37447 GPRESSAVG: 3795000 -13.627 -27.7282 51.4884 -32.2577 31.0292 26.253 50.2743 22.8824 -7.35604 TIMING: 3795000 CPU: 10994.4, 0.00287503/step Wall: 10994.4, 0.00287503/step, 0.962337 hours remaining, 213.632812 MB of memory in use. ENERGY: 3795000 760.8771 2102.4572 1929.2897 118.4778 -206554.4239 18020.0515 0.0000 0.0000 34372.4335 -149250.8371 300.1830 -183623.2705 -149155.9842 299.1869 132.0373 165.5807 555916.5507 3.2026 3.3487 PRESSURE: 3795200 -6.36286 -86.686 90.773 -86.6861 190.515 -149.582 90.7726 -149.582 175.029 GPRESSURE: 3795200 3.41533 -50.7921 223.073 -175.53 284.989 -195.893 17.9281 -147.557 177.932 PRESSAVG: 3795200 -17.3185 -8.08947 7.31521 -8.08943 27.7934 -31.9904 7.31523 -31.9904 -10.1092 GPRESSAVG: 3795200 -17.7196 -8.58033 7.2992 -6.87186 28.1542 -30.1185 6.98051 -31.786 -10.3403 TIMING: 3795200 CPU: 10995, 0.00288816/step Wall: 10995, 0.00288816/step, 0.966571 hours remaining, 213.632812 MB of memory in use. ENERGY: 3795200 748.0092 2030.9803 1953.0362 112.3543 -206425.8022 17986.5793 0.0000 0.0000 34275.8578 -149318.9852 299.3396 -183594.8430 -149229.1087 298.9380 119.7270 155.4456 555385.2786 0.1219 0.0314 PRESSURE: 3795400 -174.126 84.2436 73.0132 84.2446 -200.16 -127.169 73.0132 -127.168 -123.253 GPRESSURE: 3795400 -101.951 56.7725 81.228 117.939 -145.611 -81.9122 21.7727 -134.635 -149.01 PRESSAVG: 3795400 -4.66119 11.3663 -7.38762 11.3664 57.0973 -34.2303 -7.38768 -34.2303 -1.20459 GPRESSAVG: 3795400 -5.24454 9.71418 -7.88177 11.4008 58.1056 -34.7489 -6.02612 -33.9099 -1.29259 TIMING: 3795400 CPU: 10995.6, 0.00287985/step Wall: 10995.6, 0.00287985/step, 0.963631 hours remaining, 213.632812 MB of memory in use. ENERGY: 3795400 747.3295 2102.2063 1922.9816 113.3968 -206332.1760 17757.4636 0.0000 0.0000 34377.7295 -149311.0687 300.2293 -183688.7982 -149212.6146 298.8592 -165.8467 -132.1905 557605.7996 17.0772 17.1895 PRESSURE: 3795600 172.307 0.528604 37.0012 0.528187 130.767 164.815 37.0014 164.814 87.6664 GPRESSURE: 3795600 180.193 -19.1744 104.823 82.6845 189.515 150.561 -21.4851 152.388 121.52 PRESSAVG: 3795600 -13.478 23.9246 0.908134 23.9246 -17.7174 -36.3714 0.908059 -36.3715 -30.4851 GPRESSAVG: 3795600 -12.3107 23.9707 0.959415 22.9717 -18.3795 -35.7831 -2.10345 -36.4869 -30.9694 TIMING: 3795600 CPU: 10996.2, 0.0028818/step Wall: 10996.2, 0.0028818/step, 0.964122 hours remaining, 213.632812 MB of memory in use. ENERGY: 3795600 770.1719 2081.8506 1913.4907 101.3885 -206541.5005 18175.6407 0.0000 0.0000 34168.7510 -149330.2072 298.4042 -183498.9582 -149225.1236 298.2508 130.2468 163.7428 558054.5031 -20.5601 -20.5532 PRESSURE: 3795800 -76.4149 64.7159 170.595 64.717 -210.561 49.6607 170.597 49.6609 -8.36525 GPRESSURE: 3795800 -23.6017 98.1064 226.8 -12.3078 -162.886 43.7164 106.405 140.708 -3.65284 PRESSAVG: 3795800 48.4578 -17.3061 26.3976 -17.306 -14.1142 16.2598 26.3977 16.2598 -23.9106 GPRESSAVG: 3795800 47.2925 -14.7949 26.4545 -18.3471 -14.1744 14.3141 30.0732 18.0345 -22.7935 TIMING: 3795800 CPU: 10996.7, 0.00288441/step Wall: 10996.7, 0.00288441/step, 0.964835 hours remaining, 213.632812 MB of memory in use. ENERGY: 3795800 755.9136 2073.5983 1944.9499 109.6438 -206015.1053 17603.6420 0.0000 0.0000 34286.2933 -149241.0644 299.4307 -183527.3577 -149148.8799 298.5711 -98.4470 -63.3802 558782.9418 3.4776 3.4415 PRESSURE: 3796000 -180.589 106.814 32.5652 106.814 243.536 39.7529 32.5641 39.7535 -50.6932 GPRESSURE: 3796000 -102.763 77.1815 35.4428 52.3053 230.345 55.8095 17.9677 86.6341 -20.8873 PRESSAVG: 3796000 55.8469 -18.2021 -43.8615 -18.2021 -5.14864 -4.03559 -43.8616 -4.03553 -84.2808 GPRESSAVG: 3796000 57.6202 -19.7826 -44.3069 -16.7126 -6.79279 -5.28668 -44.9987 -5.15503 -83.7162 TIMING: 3796000 CPU: 10997.3, 0.00287936/step Wall: 10997.3, 0.00287936/step, 0.962986 hours remaining, 213.632812 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: 3796000 706.0589 2110.4288 1904.9264 111.5919 -206040.4155 17709.9957 0.0000 0.0000 34213.0271 -149284.3866 298.7909 -183497.4136 -149188.4532 298.3079 4.0846 35.5651 557429.8338 -11.1942 -10.9629 PRESSURE: 3796200 -193.552 138.215 86.9728 138.214 -193.035 -118.933 86.9723 -118.934 -149.965 GPRESSURE: 3796200 -221.493 135.772 109.318 163.244 -125.787 -111.976 82.3576 -94.3757 -93.9954 PRESSAVG: 3796200 -10.2008 57.164 20.4411 57.164 51.697 5.37471 20.4411 5.37472 53.9289 GPRESSAVG: 3796200 -10.5714 57.6539 20.1452 53.7667 52.3216 6.81673 19.7782 5.12272 53.8092 TIMING: 3796200 CPU: 10997.9, 0.00288397/step Wall: 10997.9, 0.00288397/step, 0.964368 hours remaining, 213.632812 MB of memory in use. ENERGY: 3796200 727.3030 2121.7520 1954.1862 109.5444 -205682.1410 17421.1111 0.0000 0.0000 34055.1541 -149293.0900 297.4121 -183348.2442 -149202.1197 298.3273 -178.8506 -147.0917 557806.1098 31.8084 31.8531 LDB: ============= START OF LOAD BALANCING ============== 11001.3 LDB: ============== END OF LOAD BALANCING =============== 11001.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11001.3 LDB: ============= START OF LOAD BALANCING ============== 11001.6 LDB: Largest compute 4792 load 0.024603 is 20.9% of average load 0.117972 LDB: Average compute 0.001725 is 1.5% of average load 0.117972 LDB: TIME 11001.6 LOAD: AVG 0.117972 MAX 0.178098 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 11001.6 LOAD: AVG 0.117972 MAX 0.178098 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.879 MB LDB: TIME 11001.6 LOAD: AVG 0.117972 MAX 0.178098 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.879 MB LDB: ============== END OF LOAD BALANCING =============== 11001.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11001.6 PRESSURE: 3796400 -31.4363 -43.6277 54.4988 -43.6276 -148.661 -177.385 54.4985 -177.385 101.448 GPRESSURE: 3796400 -4.52076 -18.6039 85.8619 -59.6738 -118.248 -129.527 -43.6435 -166.522 138.239 PRESSAVG: 3796400 -36.1551 18.6507 -77.8289 18.6508 -0.714218 -62.929 -77.829 -62.929 42.6984 GPRESSAVG: 3796400 -35.4758 18.2409 -77.7921 20.6608 -0.408575 -64.0784 -77.0079 -62.08 42.2916 TIMING: 3796400 CPU: 10998.5, 0.00293984/step Wall: 10998.5, 0.00293984/step, 0.982886 hours remaining, 212.273438 MB of memory in use. ENERGY: 3796400 733.4272 2067.0956 1961.1079 97.1736 -206117.9919 17830.5102 0.0000 0.0000 34160.2174 -149268.4600 298.3297 -183428.6774 -149169.7115 297.6435 -26.2163 5.1566 558775.8376 1.9430 2.1357 PRESSURE: 3796600 -177.594 -87.8314 6.02658 -87.8305 -68.4106 -217.528 6.02535 -217.527 61.2375 GPRESSURE: 3796600 -150.332 -73.7788 67.4404 -64.0169 -28.7789 -186.519 23.9164 -340.773 85.7545 PRESSAVG: 3796600 -40.7177 1.05357 -4.13261 1.05356 45.7542 -25.7534 -4.13264 -25.7533 -11.8069 GPRESSAVG: 3796600 -41.733 3.40704 -3.62653 1.61393 47.3392 -25.6575 -4.05066 -24.4565 -11.9026 TIMING: 3796600 CPU: 10999.1, 0.00288526/step Wall: 10999.1, 0.00288526/step, 0.964479 hours remaining, 212.476562 MB of memory in use. ENERGY: 3796600 739.4496 2096.1647 1981.5390 110.7352 -206245.0336 17810.5969 0.0000 0.0000 34151.3558 -149355.1924 298.2523 -183506.5482 -149263.1707 298.7021 -61.5892 -31.1187 559395.8626 -2.2568 -2.0988 PRESSURE: 3796800 318.214 -65.7924 178.693 -65.7924 94.8751 -40.6538 178.694 -40.6558 44.0742 GPRESSURE: 3796800 381.643 -107.424 141.176 -87.7357 120.378 -95.603 191.487 66.7898 60.1802 PRESSAVG: 3796800 -8.5033 15.1169 -8.42904 15.1168 -42.8346 -29.347 -8.42914 -29.3471 55.5359 GPRESSAVG: 3796800 -7.49556 11.1344 -8.49563 14.3509 -44.3219 -28.4879 -8.5594 -32.1964 55.8746 TIMING: 3796800 CPU: 10999.6, 0.00287813/step Wall: 10999.6, 0.00287813/step, 0.961936 hours remaining, 212.476562 MB of memory in use. ENERGY: 3796800 736.3245 2078.3383 1965.8692 108.4354 -206700.9495 18197.2120 0.0000 0.0000 34239.6653 -149375.1049 299.0235 -183614.7701 -149279.9999 298.4596 152.3877 187.4003 558132.4314 1.3993 1.3524 PRESSURE: 3797000 92.6917 28.8868 -8.26014 28.8868 -188.684 43.549 -8.2599 43.5514 -95.8707 GPRESSURE: 3797000 82.8161 71.8468 -39.3066 56.709 -122.478 99.8826 29.8661 49.2481 -50.0408 PRESSAVG: 3797000 -23.3668 7.45431 52.3718 7.45426 -12.6904 -33.917 52.3717 -33.9171 5.03236 GPRESSAVG: 3797000 -23.4451 7.70662 49.972 8.15004 -12.6943 -32.8696 52.9722 -34.4778 4.99023 TIMING: 3797000 CPU: 11000.2, 0.00286828/step Wall: 11000.2, 0.00286828/step, 0.958484 hours remaining, 212.476562 MB of memory in use. ENERGY: 3797000 771.7584 2186.9225 1939.5454 100.8909 -206180.1520 17857.0703 0.0000 0.0000 34156.8315 -149167.1330 298.3001 -183323.9645 -149071.9707 299.0787 -63.9542 -29.9010 558832.1767 -10.3416 -10.3831 PRESSURE: 3797200 -277.314 -1.62927 74.3419 -1.62897 -12.1973 -105.641 74.3408 -105.64 -391.488 GPRESSURE: 3797200 -245.473 -1.01871 90.3489 -14.8456 9.67643 -161.712 89.1752 -25.1775 -345.744 PRESSAVG: 3797200 49.959 3.26414 -1.50893 3.26413 31.6627 -2.37264 -1.50899 -2.37256 -81.0724 GPRESSAVG: 3797200 49.379 2.2996 -0.0213062 2.5209 32.4805 -3.63405 -1.15571 -1.60689 -80.903 TIMING: 3797200 CPU: 11000.8, 0.002881/step Wall: 11000.8, 0.002881/step, 0.962574 hours remaining, 212.476562 MB of memory in use. ENERGY: 3797200 774.8527 2129.4280 1929.3103 103.6101 -206121.7162 17712.4498 0.0000 0.0000 34328.3235 -149143.7418 299.7978 -183472.0653 -149048.8003 298.8703 -226.9998 -193.8469 558999.8800 0.1831 0.3188 PRESSURE: 3797400 -152.32 108.464 6.96521 108.465 -65.5698 250.402 6.96565 250.403 -47.0544 GPRESSURE: 3797400 -75.0078 118.79 -19.9704 118.537 -7.4097 174.268 78.8154 270.877 -86.4669 PRESSAVG: 3797400 11.4006 104.125 -16.8427 104.125 -2.15132 -36.7838 -16.8428 -36.7839 -32.6541 GPRESSAVG: 3797400 12.7527 106.259 -16.6192 102.807 -2.79793 -38.1175 -16.6217 -36.8547 -33.1088 TIMING: 3797400 CPU: 11001.4, 0.00285925/step Wall: 11001.4, 0.00285925/step, 0.955149 hours remaining, 212.476562 MB of memory in use. ENERGY: 3797400 739.9135 2073.9299 1919.9160 118.5137 -206235.8850 17754.0466 0.0000 0.0000 34558.9272 -149070.6381 301.8117 -183629.5654 -148969.5239 299.9532 -88.3148 -56.2948 558473.3390 -7.8016 -7.7180 PRESSURE: 3797600 -182.836 16.6083 -64.3006 16.6093 109.348 85.5935 -64.3009 85.5944 117.278 GPRESSURE: 3797600 -166.754 118.647 -64.499 -22.7086 140.226 87.0287 -56.0068 82.0776 172.801 PRESSAVG: 3797600 -72.3091 27.4938 -11.4889 27.4937 91.699 66.9306 -11.489 66.9306 19.0771 GPRESSAVG: 3797600 -72.9323 27.0954 -10.8182 27.246 91.637 68.8352 -13.3467 66.5276 19.6025 TIMING: 3797600 CPU: 11001.9, 0.00286629/step Wall: 11001.9, 0.00286629/step, 0.95734 hours remaining, 212.476562 MB of memory in use. ENERGY: 3797600 753.7902 2114.6248 1967.8962 111.9904 -206294.3766 17810.6428 0.0000 0.0000 34504.6908 -149030.7414 301.3380 -183535.4322 -148935.1334 300.1938 14.5967 48.7576 558208.0771 12.8223 12.7691 PRESSURE: 3797800 30.5099 84.6172 40.5102 84.6181 -195.747 -20.9613 40.5114 -20.9616 157.362 GPRESSURE: 3797800 107.029 163.558 -18.1387 87.5934 -174.142 -51.4516 111.229 -28.0867 158.376 PRESSAVG: 3797800 -118.799 40.0196 10.0792 40.0196 8.44031 77.8914 10.0792 77.8913 92.8734 GPRESSAVG: 3797800 -118.288 38.7929 10.036 42.9327 8.49563 76.8456 10.715 78.2444 92.007 TIMING: 3797800 CPU: 11002.5, 0.00288833/step Wall: 11002.5, 0.00288833/step, 0.964543 hours remaining, 212.476562 MB of memory in use. ENERGY: 3797800 755.2711 2112.1107 1956.9546 110.5410 -206296.2107 18096.8455 0.0000 0.0000 34230.9424 -149033.5452 298.9473 -183264.4876 -148939.0849 299.6707 -2.6250 30.4211 558921.4003 -5.8284 -5.9284 PRESSURE: 3798000 22.4277 -154.223 -130.717 -154.224 34.2683 -52.2062 -130.717 -52.2068 47.8716 GPRESSURE: 3798000 48.3524 -138.427 -127.818 -218.786 99.154 -101.862 -121.463 -52.969 46.1197 PRESSAVG: 3798000 -28.8712 -15.046 1.31313 -15.0459 47.9939 25.042 1.31312 25.0421 -8.84086 GPRESSAVG: 3798000 -29.1506 -14.1084 -0.21641 -15.7244 47.2888 25.441 3.51699 22.6952 -7.4625 TIMING: 3798000 CPU: 11003.1, 0.00287962/step Wall: 11003.1, 0.00287962/step, 0.961475 hours remaining, 212.476562 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: 3798000 725.6140 2079.8699 1965.2795 110.2276 -206087.9139 17868.5899 0.0000 0.0000 34164.6655 -149173.6675 298.3685 -183338.3330 -149077.6670 299.0646 34.8558 64.5421 558251.3105 3.4273 3.5586 PRESSURE: 3798200 -249.958 -22.1021 65.7419 -22.1013 -9.07652 -116.746 65.7417 -116.746 -106.339 GPRESSURE: 3798200 -197.509 60.8156 55.458 -24.5094 11.0373 -92.203 76.1636 -71.0111 -94.0994 PRESSAVG: 3798200 4.21863 5.04835 -38.1423 5.04839 -32.2405 60.664 -38.1424 60.6639 25.3051 GPRESSAVG: 3798200 5.05302 4.6471 -37.5455 5.0024 -31.2634 60.6451 -38.8928 62.5938 23.5347 TIMING: 3798200 CPU: 11003.7, 0.00287556/step Wall: 11003.7, 0.00287556/step, 0.959958 hours remaining, 212.476562 MB of memory in use. ENERGY: 3798200 706.3030 2092.8844 1961.1753 115.7601 -206000.7659 17649.2552 0.0000 0.0000 34319.4317 -149155.9563 299.7201 -183475.3879 -149058.4359 299.8166 -121.7910 -93.5235 559038.5714 -0.9056 -0.8919 PRESSURE: 3798400 35.4514 -298.198 16.1696 -298.198 65.7795 109.641 16.1699 109.642 -80.8342 GPRESSURE: 3798400 74.8392 -273.214 51.9327 -297.904 105.704 126.873 -20.319 74.6961 -71.6068 PRESSAVG: 3798400 42.3212 -49.1823 -26.2393 -49.1823 -12.8492 -27.5182 -26.2393 -27.5181 -50.8865 GPRESSAVG: 3798400 41.5112 -49.3491 -24.2224 -49.8653 -13.8429 -24.8979 -27.8196 -29.5299 -49.4272 TIMING: 3798400 CPU: 11004.2, 0.00287244/step Wall: 11004.2, 0.00287244/step, 0.958756 hours remaining, 212.476562 MB of memory in use. ENERGY: 3798400 769.0378 2086.7706 1903.5006 100.0152 -206366.0219 18104.4535 0.0000 0.0000 34412.1518 -148990.0926 300.5299 -183402.2443 -148894.0848 300.3531 6.7989 36.3123 559054.7939 -7.1381 -7.2530 PRESSURE: 3798600 18.2864 -19.4384 79.3989 -19.4389 174.478 -85.0308 79.3999 -85.0296 -57.4496 GPRESSURE: 3798600 35.0221 15.5284 133.31 -97.7267 198.135 -69.3409 43.296 -124.949 -13.9417 PRESSAVG: 3798600 -29.7196 -55.0002 3.50085 -55.0003 0.911633 -54.823 3.5009 -54.8231 61.0943 GPRESSAVG: 3798600 -29.8691 -54.6092 2.3441 -56.4018 1.05067 -58.0863 5.31115 -54.3563 61.7848 TIMING: 3798600 CPU: 11004.8, 0.00287143/step Wall: 11004.8, 0.00287143/step, 0.958261 hours remaining, 212.476562 MB of memory in use. ENERGY: 3798600 745.2560 2107.1642 1954.6292 113.3646 -206303.5832 18099.3666 0.0000 0.0000 34534.8527 -148748.9499 301.6015 -183283.8026 -148649.8822 299.8107 45.1050 73.0719 559959.9640 10.7621 10.9888 PRESSURE: 3798800 -56.6043 -32.9763 4.92693 -32.9756 16.3839 59.5675 4.92685 59.5663 -163.499 GPRESSURE: 3798800 -18.856 -74.1019 -17.3923 -36.092 34.7534 60.302 79.258 86.2845 -108.271 PRESSAVG: 3798800 -4.59525 -7.19969 -14.3072 -7.19972 -4.96422 5.41469 -14.3072 5.41465 3.32663 GPRESSAVG: 3798800 -3.46701 -8.20219 -14.9022 -5.58359 -4.42061 4.94649 -14.2417 7.94975 1.77362 TIMING: 3798800 CPU: 11005.4, 0.00288553/step Wall: 11005.4, 0.00288553/step, 0.962804 hours remaining, 212.476562 MB of memory in use. ENERGY: 3798800 761.1062 2057.6170 1943.2638 102.0976 -206279.5217 18087.4088 0.0000 0.0000 34499.7944 -148828.2339 301.2953 -183328.0283 -148733.2644 300.5043 -67.9065 -30.7913 560279.6660 -2.0776 -2.0380 PRESSURE: 3799000 29.9405 -105.573 54.1932 -105.573 -55.0472 235.996 54.1919 235.995 71.9627 GPRESSURE: 3799000 17.8928 -111.877 107.95 -97.2824 10.6387 186.034 88.1212 179.449 123.101 PRESSAVG: 3799000 -13.6327 -30.1767 23.1248 -30.1767 44.8411 55.1855 23.1249 55.1856 16.5385 GPRESSAVG: 3799000 -15.3368 -29.2679 23.2949 -30.2317 45.8377 53.9927 22.2083 55.2447 16.8789 TIMING: 3799000 CPU: 11006, 0.00286857/step Wall: 11006, 0.00286857/step, 0.956985 hours remaining, 212.476562 MB of memory in use. ENERGY: 3799000 770.8812 2099.1310 1924.8182 114.6207 -206075.5878 17911.4112 0.0000 0.0000 34560.8326 -148693.8928 301.8283 -183254.7255 -148613.6547 300.8179 15.6186 50.5440 558910.4507 15.9156 15.7933 PRESSURE: 3799200 132.194 48.2443 -87.8401 48.2449 -201.309 144.206 -87.84 144.206 29.8803 GPRESSURE: 3799200 152.162 55.1129 -157.415 -38.1314 -177.025 111.148 -81.9743 162.554 65.9394 PRESSAVG: 3799200 -7.59392 -31.3548 43.7325 -31.355 8.42378 -7.22899 43.7325 -7.22903 -31.3589 GPRESSAVG: 3799200 -7.75507 -33.0052 40.5845 -30.9117 7.88912 -5.12041 44.5247 -8.42209 -30.925 TIMING: 3799200 CPU: 11006.5, 0.00286725/step Wall: 11006.5, 0.00286725/step, 0.956388 hours remaining, 212.476562 MB of memory in use. ENERGY: 3799200 725.9630 2099.5602 1939.0266 105.7804 -205931.5456 17845.2904 0.0000 0.0000 34393.0732 -148822.8519 300.3633 -183215.9251 -148722.2328 300.2244 -13.0784 13.6922 558653.4425 -10.1763 -10.2636 PRESSURE: 3799400 -125.002 -37.977 -72.2812 -37.9763 -65.2467 81.3086 -72.2799 81.3084 -182.228 GPRESSURE: 3799400 -119.447 26.1625 -47.2439 22.4205 -6.1689 184.015 -86.3561 6.72229 -156.669 PRESSAVG: 3799400 -7.03353 30.1079 31.8098 30.1079 7.71129 13.7035 31.8098 13.7035 -22.2585 GPRESSAVG: 3799400 -6.65382 32.0158 34.1717 29.1799 7.97724 12.9665 32.5398 14.4088 -22.5954 TIMING: 3799400 CPU: 11007.1, 0.00286936/step Wall: 11007.1, 0.00286936/step, 0.956933 hours remaining, 212.476562 MB of memory in use. ENERGY: 3799400 776.7750 2045.5983 1953.8369 112.5766 -205739.7838 17606.3244 0.0000 0.0000 34365.3170 -148879.3555 300.1209 -183244.6724 -148777.5909 299.9498 -124.1590 -94.0950 558070.4102 -7.1936 -7.0907 PRESSURE: 3799600 44.5366 -32.1629 -34.4038 -32.1628 44.7173 -77.5146 -34.4025 -77.5157 -48.1893 GPRESSURE: 3799600 67.1313 -4.17833 -117.903 30.2619 116.775 -59.2461 -34.8932 -37.7675 -45.911 PRESSAVG: 3799600 -2.38873 13.8454 -43.3414 13.8454 0.553695 -4.06087 -43.3414 -4.06093 -31.4426 GPRESSAVG: 3799600 -2.52961 12.6614 -44.123 15.1759 -0.412214 -2.61467 -44.2414 -4.04402 -30.2541 TIMING: 3799600 CPU: 11007.7, 0.00287597/step Wall: 11007.7, 0.00287597/step, 0.958977 hours remaining, 212.476562 MB of memory in use. ENERGY: 3799600 740.8857 2173.0904 1944.3987 113.4514 -206151.6691 17898.7320 0.0000 0.0000 34189.1523 -149091.9586 298.5824 -183281.1109 -148999.0071 299.9010 13.6882 45.9985 556789.7594 -11.0925 -11.0653 PRESSURE: 3799800 -8.5784 48.1337 -112.006 48.1337 117.317 32.0611 -112.007 32.0602 258.372 GPRESSURE: 3799800 36.8939 -11.3185 -121.679 111.956 117.777 -41.4565 -102.034 51.4048 326.868 PRESSAVG: 3799800 36.6755 63.0151 -55.803 63.015 13.9711 -83.7597 -55.803 -83.7597 5.98108 GPRESSAVG: 3799800 36.8839 63.3226 -55.4543 62.781 14.2087 -85.7946 -56.3558 -84.731 5.23135 TIMING: 3799800 CPU: 11008.3, 0.00289093/step Wall: 11008.3, 0.00289093/step, 0.963803 hours remaining, 212.476562 MB of memory in use. ENERGY: 3799800 745.3327 2169.5301 1951.8997 101.0557 -206357.4855 17976.8446 0.0000 0.0000 34230.4023 -149182.4205 298.9426 -183412.8228 -149081.2463 299.5460 122.3703 160.5133 557094.9258 18.8759 18.7747 PRESSURE: 3800000 -15.6066 21.2356 -129.705 21.2361 -45.8431 -47.2454 -129.705 -47.2469 141.998 GPRESSURE: 3800000 11.7495 -32.5699 -93.9777 85.3201 -7.15352 -64.2156 -20.8648 9.14688 168.29 PRESSAVG: 3800000 -42.0496 49.3623 2.72104 49.3623 38.0364 -73.8899 2.72111 -73.89 4.62222 GPRESSAVG: 3800000 -40.3564 48.3004 3.39552 49.2036 36.4998 -70.9776 3.07374 -72.8832 4.58931 TIMING: 3800000 CPU: 11008.8, 0.00288645/step Wall: 11008.8, 0.00288645/step, 0.96215 hours remaining, 212.476562 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: 3800000 752.9924 2098.9423 1941.8560 115.6530 -206689.9754 18016.7920 0.0000 0.0000 34418.3267 -149345.4130 300.5838 -183763.7397 -149245.5780 299.0363 26.8494 57.6286 556600.7693 0.2030 0.2442 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3800000 WRITING COORDINATES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3800200 178.541 43.3114 118.694 43.3124 159.968 -12.3756 118.694 -12.3751 187.07 GPRESSURE: 3800200 199.036 54.7359 75.3663 75.7357 251.461 -9.03569 185.583 -110.472 180.196 PRESSAVG: 3800200 47.0682 11.8255 40.8159 11.8255 -71.5794 -73.1449 40.8159 -73.1449 37.0701 GPRESSAVG: 3800200 45.664 12.4863 38.8275 10.183 -69.557 -73.8197 42.444 -74.798 37.0284 TIMING: 3800200 CPU: 11009.4, 0.00297274/step Wall: 11009.4, 0.00297274/step, 0.99075 hours remaining, 212.601562 MB of memory in use. ENERGY: 3800200 725.7829 2172.7312 1932.7476 120.2743 -206344.7530 17909.4937 0.0000 0.0000 34180.2057 -149303.5175 298.5042 -183483.7232 -149205.9374 299.1511 175.1928 210.2311 555627.3046 4.1863 4.3785 LDB: ============= START OF LOAD BALANCING ============== 11012.8 LDB: ============== END OF LOAD BALANCING =============== 11012.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11012.8 LDB: ============= START OF LOAD BALANCING ============== 11013.1 LDB: Largest compute 4773 load 0.024199 is 20.5% of average load 0.117979 LDB: Average compute 0.001719 is 1.5% of average load 0.117979 LDB: TIME 11013.1 LOAD: AVG 0.117979 MAX 0.181223 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.285 MB LDB: TIME 11013.1 LOAD: AVG 0.117979 MAX 0.181223 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.488 MB LDB: TIME 11013.1 LOAD: AVG 0.117979 MAX 0.181223 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.488 MB LDB: ============== END OF LOAD BALANCING =============== 11013.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11013.1 PRESSURE: 3800400 264.016 91.9871 64.4961 91.9884 0.468532 -118.744 64.4954 -118.743 182.721 GPRESSURE: 3800400 254.402 80.459 28.7165 108.954 31.0069 -139.736 94.9583 -110.458 254.404 PRESSAVG: 3800400 36.9896 14.4915 -36.4754 14.4916 -13.9627 -33.6852 -36.4754 -33.6851 27.3217 GPRESSAVG: 3800400 37.4763 15.7889 -35.9108 15.8445 -15.0854 -35.8842 -36.5725 -32.3484 27.7701 TIMING: 3800400 CPU: 11010, 0.00295428/step Wall: 11010, 0.00295428/step, 0.98443 hours remaining, 211.054688 MB of memory in use. ENERGY: 3800400 732.0250 2139.3770 1965.6878 113.0176 -206383.1454 17911.6595 0.0000 0.0000 34222.8801 -149298.4985 298.8769 -183521.3785 -149202.6964 299.4510 149.0684 179.9375 556002.7335 16.7829 16.7204 PRESSURE: 3800600 166.411 237.137 97.1211 237.138 -236.915 53.7248 97.121 53.7243 -64.5416 GPRESSURE: 3800600 211.602 210.983 124.737 246.276 -214.394 32.3443 12.6334 46.3234 -31.8255 PRESSAVG: 3800600 -19.4601 39.5334 -57.9081 39.5333 34.423 -30.7622 -57.908 -30.7622 13.9997 GPRESSAVG: 3800600 -19.8289 36.6179 -55.3222 38.8133 35.5192 -29.3834 -59.6853 -31.2116 12.8326 TIMING: 3800600 CPU: 11010.6, 0.00288172/step Wall: 11010.6, 0.00288172/step, 0.960095 hours remaining, 211.054688 MB of memory in use. ENERGY: 3800600 718.2895 2119.0188 1965.4301 115.6748 -206024.3342 17635.1139 0.0000 0.0000 34129.5816 -149341.2254 298.0621 -183470.8071 -149245.5340 299.3787 -45.0151 -11.5391 557084.8598 9.6542 9.5076 PRESSURE: 3800800 102.545 -85.3896 199.715 -85.3896 -122.341 -34.4409 199.715 -34.4418 -126.458 GPRESSURE: 3800800 118.422 -47.2589 233.19 -104.065 -98.7751 -3.65249 181.078 -34.3035 -62.876 PRESSAVG: 3800800 69.9175 64.8442 28.2492 64.8441 33.606 -31.3382 28.2493 -31.3381 -86.09 GPRESSAVG: 3800800 70.4429 66.6031 25.9955 64.476 32.2238 -30.4557 25.7841 -31.8051 -85.3542 TIMING: 3800800 CPU: 11011.2, 0.00286827/step Wall: 11011.2, 0.00286827/step, 0.955452 hours remaining, 211.054688 MB of memory in use. ENERGY: 3800800 737.8072 2070.7107 1927.9317 101.0271 -206514.8868 17885.9052 0.0000 0.0000 34385.9256 -149405.5793 300.3008 -183791.5050 -149310.6191 299.4251 -48.7513 -14.4096 557562.8568 5.8112 5.7708 PRESSURE: 3801000 -132.558 -60.6977 -81.3978 -60.6972 -260.496 -55.1459 -81.3978 -55.1468 -41.6632 GPRESSURE: 3801000 -118.875 -15.7431 -147.798 -53.6959 -251.024 -3.98004 -47.126 -50.3847 30.7177 PRESSAVG: 3801000 47.6012 6.53877 5.19211 6.53884 15.4495 -35.513 5.1922 -35.513 -28.365 GPRESSAVG: 3801000 47.7091 6.9333 3.99659 8.00403 16.0069 -36.843 8.61629 -33.9317 -29.1937 TIMING: 3801000 CPU: 11011.7, 0.00286446/step Wall: 11011.7, 0.00286446/step, 0.954024 hours remaining, 211.054688 MB of memory in use. ENERGY: 3801000 775.6551 2074.5253 1951.4828 118.9278 -206068.4808 17765.4594 0.0000 0.0000 34206.7796 -149175.6508 298.7363 -183382.4304 -149091.8473 299.4183 -144.9057 -113.0605 558427.9671 11.5619 11.5074 PRESSURE: 3801200 87.7082 -53.9376 -93.396 -53.9372 -58.7583 -45.2098 -93.3974 -45.2095 62.3192 GPRESSURE: 3801200 100.898 -77.4404 -97.104 -55.0895 18.4672 -136.72 -68.7391 35.2646 68.0861 PRESSAVG: 3801200 29.2216 40.3261 -61.142 40.326 -25.9167 -40.6131 -61.1421 -40.6132 -3.48565 GPRESSAVG: 3801200 28.7124 38.9539 -62.522 39.4583 -24.7846 -40.3095 -61.457 -42.8058 -4.12097 TIMING: 3801200 CPU: 11012.3, 0.0028775/step Wall: 11012.3, 0.0028775/step, 0.958208 hours remaining, 211.054688 MB of memory in use. ENERGY: 3801200 714.7754 2154.8437 1945.6998 116.7448 -206223.8096 17845.1934 0.0000 0.0000 34180.4506 -149266.1020 298.5064 -183446.5526 -149167.8443 298.8658 30.4230 62.4839 559106.0558 -0.0602 -0.0644 PRESSURE: 3801400 38.3276 -74.0848 -135.77 -74.0856 -13.2179 26.754 -135.767 26.7535 -144.735 GPRESSURE: 3801400 114.357 92.1534 -146.982 -199.741 -16.0843 15.2511 -61.1332 103.713 -109.807 PRESSAVG: 3801400 21.9997 -24.3767 -18.4023 -24.3767 8.69295 22.0293 -18.4022 22.0294 -45.9447 GPRESSAVG: 3801400 22.0628 -25.6852 -16.6824 -24.344 8.21726 20.258 -18.6227 25.6881 -44.7885 TIMING: 3801400 CPU: 11012.9, 0.00286759/step Wall: 11012.9, 0.00286759/step, 0.954747 hours remaining, 211.054688 MB of memory in use. ENERGY: 3801400 725.4745 2132.7139 1929.8454 105.2018 -206152.1147 17792.9433 0.0000 0.0000 34368.6739 -149097.2619 300.1502 -183465.9358 -148997.9272 299.2945 -39.8753 -3.8447 558679.9716 -5.0840 -4.8361 PRESSURE: 3801600 -219.886 -87.1781 -67.2492 -87.1786 -316.082 29.2319 -67.2494 29.2322 -21.501 GPRESSURE: 3801600 -226.365 -64.547 -83.9346 -94.4152 -266.158 -56.2301 -84.1347 102.105 21.5247 PRESSAVG: 3801600 4.31983 -5.03153 8.8975 -5.03156 0.318952 -24.0637 8.89742 -24.0637 39.5697 GPRESSAVG: 3801600 4.42463 -4.30603 9.5826 -5.11667 0.529784 -21.1879 9.17245 -26.2568 38.6004 TIMING: 3801600 CPU: 11013.5, 0.00286752/step Wall: 11013.5, 0.00286752/step, 0.954566 hours remaining, 211.054688 MB of memory in use. ENERGY: 3801600 751.9663 2053.0287 1944.3356 112.3639 -205638.9074 17430.2479 0.0000 0.0000 34238.7995 -149108.1655 299.0160 -183346.9649 -149018.8716 299.2206 -185.8231 -156.9994 558196.6377 14.7362 14.5183 PRESSURE: 3801800 -433.265 36.2278 46.8034 36.2281 -262.929 74.5245 46.8033 74.5254 -89.1612 GPRESSURE: 3801800 -439.865 7.87542 39.2361 14.9625 -195.807 17.4737 54.7973 13.31 -56.885 PRESSAVG: 3801800 4.2775 8.25189 -43.8286 8.25182 38.124 -22.563 -43.8286 -22.5629 -11.4583 GPRESSAVG: 3801800 4.10917 7.41874 -43.968 8.397 38.029 -25.7053 -44.8277 -20.8019 -10.6142 TIMING: 3801800 CPU: 11014, 0.00289021/step Wall: 11014, 0.00289021/step, 0.961958 hours remaining, 211.054688 MB of memory in use. ENERGY: 3801800 728.5744 2076.9240 1939.7773 119.8242 -205630.1997 17367.8392 0.0000 0.0000 34103.4672 -149293.7935 297.8341 -183397.2607 -149202.6651 298.8888 -261.7850 -230.8523 557794.2413 10.3144 10.5080 PRESSURE: 3802000 -202.382 37.3011 82.924 37.3004 -9.9181 -123.327 82.9246 -123.329 125.841 GPRESSURE: 3802000 -127.987 38.1811 84.4594 -5.80252 108.48 -162.394 142.247 -73.1179 33.137 PRESSAVG: 3802000 50.5372 -35.6878 11.445 -35.6878 -17.4891 -22.4186 11.445 -22.4186 -17.0079 GPRESSAVG: 3802000 50.2878 -34.4263 11.6351 -34.7893 -17.0339 -21.6376 12.5526 -22.5672 -16.7945 TIMING: 3802000 CPU: 11014.6, 0.00287678/step Wall: 11014.6, 0.00287678/step, 0.957328 hours remaining, 211.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3802000 773.7099 2107.1341 1960.4119 113.1028 -206558.0076 17916.6532 0.0000 0.0000 34284.0258 -149402.9699 299.4109 -183686.9957 -149308.5503 298.7034 -28.8196 4.5432 556794.0147 5.3467 5.4865 PRESSURE: 3802200 14.9426 -14.3625 34.8693 -14.3629 67.3637 -171.332 34.8689 -171.332 44.9695 GPRESSURE: 3802200 76.221 -7.18594 4.26571 -31.8371 60.2582 -166.833 88.7853 -164.775 86.0412 PRESSAVG: 3802200 -5.52525 26.9153 38.5938 26.9153 36.4345 -39.147 38.5939 -39.1469 -75.955 GPRESSAVG: 3802200 -4.57849 26.2509 38.5589 25.7876 35.4725 -39.0781 38.6865 -39.0175 -75.4588 TIMING: 3802200 CPU: 11015.2, 0.00284712/step Wall: 11015.2, 0.00284712/step, 0.947302 hours remaining, 211.054688 MB of memory in use. ENERGY: 3802200 748.0380 2078.7417 1928.9644 108.4381 -206361.7980 17906.9778 0.0000 0.0000 34167.4721 -149423.1660 298.3930 -183590.6381 -149333.6785 298.5320 42.4252 74.1735 555893.6900 -15.0152 -14.8549 PRESSURE: 3802400 -33.1266 56.7616 144.252 56.7634 -64.3667 140.331 144.252 140.329 -104.618 GPRESSURE: 3802400 63.393 111.448 65.5633 78.9265 -56.6328 175.32 74.7914 144.683 -110.826 PRESSAVG: 3802400 18.3549 54.845 -4.62753 54.845 2.4078 -27.7944 -4.62752 -27.7944 21.9565 GPRESSAVG: 3802400 18.1733 54.0684 -4.61815 57.1863 3.51134 -29.5404 -4.21463 -25.8677 20.8514 TIMING: 3802400 CPU: 11015.8, 0.00284911/step Wall: 11015.8, 0.00284911/step, 0.947804 hours remaining, 211.054688 MB of memory in use. ENERGY: 3802400 756.7450 2105.3735 1944.3014 96.6747 -206017.2304 17701.3173 0.0000 0.0000 34189.8296 -149222.9889 298.5883 -183412.8186 -149126.9087 298.5307 -67.3705 -34.6887 557292.8174 14.2397 14.1787 PRESSURE: 3802600 273.585 -71.7339 94.3915 -71.7335 119.143 -20.4753 94.3916 -20.4776 22.1316 GPRESSURE: 3802600 317.431 -99.7996 65.3732 -88.4637 157.83 -2.60149 75.9152 42.5301 40.6163 PRESSAVG: 3802600 28.6133 10.0141 3.74077 10.0141 -25.0928 -10.7429 3.74061 -10.7428 29.5754 GPRESSAVG: 3802600 28.8433 9.72321 4.16566 8.4579 -25.5088 -7.34291 1.54335 -14.2609 30.1585 TIMING: 3802600 CPU: 11016.3, 0.00283826/step Wall: 11016.3, 0.00283826/step, 0.944035 hours remaining, 211.054688 MB of memory in use. ENERGY: 3802600 736.6345 2058.8945 1955.3315 112.0086 -206165.6494 17943.5637 0.0000 0.0000 34227.8764 -149131.3403 298.9206 -183359.2167 -149033.4792 298.9733 138.2865 171.9588 556078.9652 11.0320 11.1643 PRESSURE: 3802800 83.046 -58.8557 -17.9446 -58.8548 33.5939 -139.953 -17.9459 -139.953 -301.732 GPRESSURE: 3802800 65.556 -50.1198 -43.0079 -27.779 67.8759 -194.213 -37.2884 -138.554 -218.49 PRESSAVG: 3802800 37.2573 -8.74968 25.554 -8.74963 -1.06937 -7.00209 25.554 -7.00201 -34.805 GPRESSAVG: 3802800 37.5902 -6.70542 25.03 -9.564 -0.933394 -8.50655 26.5275 -6.51067 -34.475 TIMING: 3802800 CPU: 11016.9, 0.00285945/step Wall: 11016.9, 0.00285945/step, 0.950927 hours remaining, 211.054688 MB of memory in use. ENERGY: 3802800 743.0464 2098.5451 1951.2438 112.9843 -206099.6357 17720.3117 0.0000 0.0000 34498.0674 -148975.4370 301.2802 -183473.5044 -148873.7441 299.6942 -61.6974 -28.3528 557605.9408 0.4610 0.7273 PRESSURE: 3803000 74.9667 8.80416 -13.7457 8.80496 10.5105 63.2508 -13.7472 63.2516 -243.345 GPRESSURE: 3803000 42.6647 -18.5567 -78.1185 -15.0222 45.4475 95.4591 -47.3075 25.5765 -158.84 PRESSAVG: 3803000 81.9216 -45.9725 29.6589 -45.9725 9.45252 -18.6113 29.6588 -18.6112 -93.1053 GPRESSAVG: 3803000 80.6286 -46.6973 30.5164 -44.6669 10.7899 -20.3826 28.3739 -17.2885 -93.3402 TIMING: 3803000 CPU: 11017.5, 0.00285556/step Wall: 11017.5, 0.00285556/step, 0.949473 hours remaining, 211.054688 MB of memory in use. ENERGY: 3803000 723.3731 2076.5248 1949.7003 114.9642 -205795.7943 17474.8568 0.0000 0.0000 34381.2732 -149075.1019 300.2602 -183456.3751 -148973.2905 300.2578 -52.6227 -23.5758 557898.4054 -0.5770 -0.6406 PRESSURE: 3803200 -158.033 -6.77812 -5.17029 -6.77819 -236.625 141.561 -5.17015 141.56 -221.942 GPRESSURE: 3803200 -81.9925 85.1144 17.1564 19.0443 -199.842 34.4016 -65.9185 85.0313 -233.747 PRESSAVG: 3803200 73.4807 26.4477 -60.0576 26.4477 48.4838 16.9791 -60.0576 16.9792 -86.9541 GPRESSAVG: 3803200 74.2105 27.2363 -60.2334 25.2381 47.7897 20.4941 -58.051 15.7251 -86.4879 TIMING: 3803200 CPU: 11018, 0.00287717/step Wall: 11018, 0.00287717/step, 0.956498 hours remaining, 211.054688 MB of memory in use. ENERGY: 3803200 729.3812 2076.5732 1974.6511 114.4617 -205729.0522 17474.7773 0.0000 0.0000 34341.3581 -149017.8495 299.9116 -183359.2077 -148923.2239 300.0655 -205.5334 -171.8605 558089.3025 11.6701 11.8374 PRESSURE: 3803400 7.66807 115.907 -4.94266 115.907 132.753 -2.29424 -4.9443 -2.29339 -77.8747 GPRESSURE: 3803400 29.746 93.0338 -75.957 98.2801 187.387 4.98769 6.6255 16.4326 -49.1942 PRESSAVG: 3803400 24.1097 25.6954 -22.6095 25.6953 31.5709 0.925734 -22.6095 0.925798 -59.6886 GPRESSAVG: 3803400 23.0098 25.9576 -22.1733 25.7606 31.8127 -1.40713 -24.4856 1.2382 -58.924 TIMING: 3803400 CPU: 11018.6, 0.002877/step Wall: 11018.6, 0.002877/step, 0.956282 hours remaining, 211.054688 MB of memory in use. ENERGY: 3803400 771.4950 2005.2917 1948.7158 109.6855 -205514.8453 17609.8960 0.0000 0.0000 34237.9492 -148831.8122 299.0085 -183069.7613 -148735.3319 300.3501 20.8489 55.9797 557778.6058 -1.3360 -1.3672 PRESSURE: 3803600 114.248 -114.285 -51.5213 -114.285 -85.0003 -72.602 -51.5214 -72.6025 89.8842 GPRESSURE: 3803600 135.105 -119.512 -54.0838 -76.9533 -25.2911 -11.6488 -36.0231 -151.358 114.702 PRESSAVG: 3803600 20.9585 -2.92078 -8.97804 -2.92076 31.1096 -38.2935 -8.97806 -38.2935 -42.6242 GPRESSAVG: 3803600 21.2846 -3.10622 -7.63731 -2.84879 30.1298 -37.4892 -9.24003 -38.4257 -42.4044 TIMING: 3803600 CPU: 11019.2, 0.00287834/step Wall: 11019.2, 0.00287834/step, 0.95657 hours remaining, 211.054688 MB of memory in use. ENERGY: 3803600 752.8893 2094.8098 1936.2530 117.3156 -205831.1831 17601.7418 0.0000 0.0000 34151.0965 -149177.0770 298.2500 -183328.1735 -149083.6592 299.6558 39.7105 74.8385 556852.3515 3.1480 3.0033 PRESSURE: 3803800 -216.792 -56.2759 -53.8545 -56.2761 1.9296 42.7196 -53.8539 42.7196 -25.1739 GPRESSURE: 3803800 -191.975 -72.1457 -23.7006 -23.1567 47.0038 -41.1583 -182.832 86.8123 16.5222 PRESSAVG: 3803800 -64.2258 -24.7448 -25.2923 -24.745 35.1466 -20.7966 -25.2923 -20.7965 5.4425 GPRESSAVG: 3803800 -64.2273 -25.3254 -25.8915 -25.6763 35.1579 -21.4757 -23.208 -20.5832 5.43299 TIMING: 3803800 CPU: 11019.8, 0.00288093/step Wall: 11019.8, 0.00288093/step, 0.95727 hours remaining, 211.054688 MB of memory in use. ENERGY: 3803800 742.0722 2102.8578 1961.6404 103.4237 -206028.6421 17704.8829 0.0000 0.0000 34310.6846 -149103.0805 299.6437 -183413.7651 -149010.0153 298.5576 -80.0121 -42.8162 558011.8892 -7.8789 -7.8788 PRESSURE: 3804000 -88.1644 124.43 -14.5714 124.432 96.1563 81.9641 -14.5715 81.9654 -492.633 GPRESSURE: 3804000 -23.1171 255.766 -28.7255 69.1488 67.464 99.629 -24.6931 75.0969 -415.147 PRESSAVG: 3804000 -3.73841 -32.5807 -42.6122 -32.5806 -1.66612 17.0577 -42.6123 17.0577 40.8185 GPRESSAVG: 3804000 -3.65882 -32.5178 -43.2657 -31.2356 -1.07953 17.9993 -43.5784 15.4227 39.7709 TIMING: 3804000 CPU: 11020.3, 0.00287806/step Wall: 11020.3, 0.00287806/step, 0.956156 hours remaining, 211.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3804000 757.7519 2045.9302 1959.9306 100.3306 -205880.4955 17505.1504 0.0000 0.0000 34321.4278 -149189.9739 299.7376 -183511.4017 -149099.7397 298.9116 -161.5469 -123.5999 557143.0591 11.8047 11.6775 PRESSURE: 3804200 -44.9246 -70.053 -22.5381 -70.054 -146.562 16.3118 -22.5367 16.3113 -122.846 GPRESSURE: 3804200 -67.6772 -77.4564 -66.1754 -14.0828 -69.3021 48.6656 16.0049 33.4494 -78.5036 PRESSAVG: 3804200 28.4968 15.2887 19.808 15.2887 22.3165 42.557 19.808 42.557 -46.357 GPRESSAVG: 3804200 27.5656 17.0171 18.4657 14.8549 21.5784 43.9241 20.171 43.9408 -44.7903 TIMING: 3804200 CPU: 11020.9, 0.00286332/step Wall: 11020.9, 0.00286332/step, 0.951099 hours remaining, 211.054688 MB of memory in use. ENERGY: 3804200 741.0720 2081.0761 1945.8208 108.6739 -205829.4282 17476.0847 0.0000 0.0000 34222.3521 -149254.3486 298.8723 -183476.7008 -149148.8793 299.7648 -104.7776 -71.8276 559021.6641 1.4854 1.4513 LDB: ============= START OF LOAD BALANCING ============== 11024.3 LDB: ============== END OF LOAD BALANCING =============== 11024.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11024.3 LDB: ============= START OF LOAD BALANCING ============== 11024.6 LDB: Largest compute 4773 load 0.024236 is 20.5% of average load 0.117995 LDB: Average compute 0.001722 is 1.5% of average load 0.117995 LDB: TIME 11024.6 LOAD: AVG 0.117995 MAX 0.178148 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.219 MB LDB: TIME 11024.6 LOAD: AVG 0.117995 MAX 0.178148 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.219 MB LDB: TIME 11024.6 LOAD: AVG 0.117995 MAX 0.178148 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.219 MB LDB: ============== END OF LOAD BALANCING =============== 11024.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11024.6 PRESSURE: 3804400 211.357 25.4313 -120.758 25.4311 224.769 -133.84 -120.759 -133.842 -99.7506 GPRESSURE: 3804400 183.498 62.2434 -131.692 55.1557 323.852 -58.055 -167.6 -145.664 -97.3769 PRESSAVG: 3804400 35.5243 16.5991 3.55763 16.5991 -7.7778 -4.36908 3.5575 -4.36911 -16.3571 GPRESSAVG: 3804400 35.3277 12.7508 5.27501 16.7583 -7.36814 -5.84056 1.87844 -3.72541 -17.3575 TIMING: 3804400 CPU: 11021.5, 0.00292267/step Wall: 11021.5, 0.00292267/step, 0.970651 hours remaining, 211.308594 MB of memory in use. ENERGY: 3804400 724.9463 2096.8484 1944.6643 110.1073 -206273.8687 17845.8206 0.0000 0.0000 34434.2270 -149117.2547 300.7227 -183551.4817 -149026.4235 299.0860 112.1251 136.6578 557532.4447 3.7965 3.5340 PRESSURE: 3804600 -118.4 -72.1274 -63.788 -72.1272 -63.9688 -25.6032 -63.7883 -25.6037 -313.983 GPRESSURE: 3804600 -104.33 -89.8047 -97.4208 -40.8081 -1.61673 -49.2504 -7.94743 -6.41425 -287.281 PRESSAVG: 3804600 -15.1625 -29.7753 -45.8692 -29.7752 49.1141 5.18285 -45.8692 5.18287 -50.8521 GPRESSAVG: 3804600 -14.6369 -29.1037 -46.3071 -29.0234 48.1798 4.72415 -44.6632 4.00773 -50.1154 TIMING: 3804600 CPU: 11022.1, 0.00283511/step Wall: 11022.1, 0.00283511/step, 0.941414 hours remaining, 211.378906 MB of memory in use. ENERGY: 3804600 740.8525 2051.3302 1987.6100 99.0081 -205798.2661 17460.3022 0.0000 0.0000 34302.1030 -149157.0601 299.5688 -183459.1631 -149056.1882 299.4005 -165.4508 -131.0759 558091.6754 -5.6335 -5.5242 PRESSURE: 3804800 -372.192 1.56208 103.978 1.56282 -92.5813 -115.515 103.977 -115.517 -68.3225 GPRESSURE: 3804800 -364.604 16.2945 69.8021 42.4222 -48.2997 -90.2466 82.5731 -120.578 -23.4047 PRESSAVG: 3804800 -34.1315 8.75624 3.76255 8.75634 4.31082 9.86038 3.76265 9.86042 3.10664 GPRESSAVG: 3804800 -32.9574 10.3099 3.63481 6.90736 4.03349 9.3878 3.10808 9.55421 2.22942 TIMING: 3804800 CPU: 11022.6, 0.00284997/step Wall: 11022.6, 0.00284997/step, 0.946189 hours remaining, 211.378906 MB of memory in use. ENERGY: 3804800 764.9507 2128.7197 1974.9366 122.1814 -205982.0157 17611.7807 0.0000 0.0000 34319.0764 -149060.3700 299.7170 -183379.4465 -148968.0730 299.5351 -177.6985 -145.4360 558783.8958 -8.9047 -8.8982 PRESSURE: 3805000 -307.024 -32.5965 -41.7236 -32.5966 -74.9534 -23.1769 -41.7245 -23.1777 -187.292 GPRESSURE: 3805000 -252.992 -98.7722 66.8074 71.6088 -28.1402 46.03 -79.1111 -92.3227 -198.151 PRESSAVG: 3805000 -44.236 -3.23537 -16.8875 -3.23521 45.154 -40.0282 -16.8874 -40.0284 60.6865 GPRESSAVG: 3805000 -44.1854 -2.82189 -18.6135 -1.54064 45.4475 -39.6517 -16.5454 -39.4511 60.1633 TIMING: 3805000 CPU: 11023.2, 0.00285998/step Wall: 11023.2, 0.00285998/step, 0.949356 hours remaining, 211.378906 MB of memory in use. ENERGY: 3805000 751.7329 2104.2144 1983.9006 115.4982 -205804.6201 17601.6253 0.0000 0.0000 34098.5977 -149149.0511 297.7915 -183247.6488 -149051.6622 299.7975 -189.7566 -159.7613 557077.6603 20.5348 20.4752 PRESSURE: 3805200 115.035 -154.911 -43.2329 -154.913 130.192 -58.7284 -43.2323 -58.7287 109.424 GPRESSURE: 3805200 145.707 -88.9792 -19.6852 -193.653 197.573 -11.2011 -73.9326 7.33292 123.086 PRESSAVG: 3805200 -90.6767 -51.1069 65.6656 -51.1069 92.9487 -5.60554 65.6657 -5.60546 -10.7584 GPRESSAVG: 3805200 -91.3037 -50.267 66.541 -50.6081 94.4112 -7.91221 66.3604 -4.44831 -11.3401 TIMING: 3805200 CPU: 11023.8, 0.00285185/step Wall: 11023.8, 0.00285185/step, 0.946498 hours remaining, 211.378906 MB of memory in use. ENERGY: 3805200 739.3079 2059.8195 1955.3972 102.6694 -206545.8504 18080.8639 0.0000 0.0000 34356.9090 -149250.8834 300.0474 -183607.7924 -149155.1893 299.3560 118.2172 155.4554 557681.8306 -2.8288 -2.7442 PRESSURE: 3805400 4.64533 -66.176 210.487 -66.177 -73.1589 -1.07456 210.488 -1.07466 -32.679 GPRESSURE: 3805400 44.785 -61.8984 278.961 -68.3073 -91.9641 12.2223 156.65 -2.13857 46.4401 PRESSAVG: 3805400 7.83849 -16.6329 -12.5559 -16.6328 -1.13839 -22.9171 -12.5559 -22.9169 -35.808 GPRESSAVG: 3805400 8.57822 -17.7907 -13.2642 -18.5434 -1.51238 -21.6525 -12.914 -24.1546 -36.0008 TIMING: 3805400 CPU: 11024.4, 0.0028843/step Wall: 11024.4, 0.0028843/step, 0.957106 hours remaining, 211.378906 MB of memory in use. ENERGY: 3805400 766.5024 2076.4386 1948.0952 105.4884 -205952.1345 17709.9281 0.0000 0.0000 34251.6017 -149094.0801 299.1278 -183345.6818 -149000.2276 299.4364 -33.7309 -0.2463 557899.5974 -9.7026 -9.6450 PRESSURE: 3805600 -300.026 107.954 -195.004 107.953 6.57637 -84.8041 -195.004 -84.8061 -190.32 GPRESSURE: 3805600 -249.676 116.645 -215.512 72.7006 -24.8364 -82.07 -202.805 -69.7811 -121.766 PRESSAVG: 3805600 -5.48775 -33.4292 -26.6226 -33.4293 -3.15548 -4.76638 -26.6226 -4.76633 6.75433 GPRESSAVG: 3805600 -6.60983 -34.5178 -24.908 -32.9378 -3.63559 -7.07906 -27.6915 -3.80317 8.85269 TIMING: 3805600 CPU: 11024.9, 0.00288149/step Wall: 11024.9, 0.00288149/step, 0.956015 hours remaining, 211.378906 MB of memory in use. ENERGY: 3805600 707.9871 2106.5417 1950.1859 106.7562 -205630.0360 17462.9203 0.0000 0.0000 34349.5019 -148946.1429 299.9827 -183295.6448 -148841.5743 300.0310 -161.2565 -132.0927 560006.7850 -0.6296 -0.4642 PRESSURE: 3805800 109.555 153.127 -26.5715 153.128 231.975 -80.6414 -26.571 -80.6404 183.15 GPRESSURE: 3805800 177.571 99.0568 19.1535 145.221 259.636 31.0266 5.39425 -75.4248 185.062 PRESSAVG: 3805800 6.80669 2.89735 -23.018 2.89741 27.1766 -2.22776 -23.0181 -2.22781 0.863974 GPRESSAVG: 3805800 8.45717 6.25253 -25.8562 3.24881 26.901 -1.06673 -21.114 -1.6762 -1.30282 TIMING: 3805800 CPU: 11025.5, 0.00287884/step Wall: 11025.5, 0.00287884/step, 0.954976 hours remaining, 211.378906 MB of memory in use. ENERGY: 3805800 763.3378 2094.1612 1961.1121 125.9864 -206303.3256 18065.4590 0.0000 0.0000 34204.0125 -149089.2566 298.7121 -183293.2691 -149001.5060 299.8614 174.8934 207.4232 558093.5265 11.6158 11.3518 PRESSURE: 3806000 -197.132 36.304 -182.862 36.3033 -83.2983 80.8025 -182.86 80.8029 -120.825 GPRESSURE: 3806000 -190.078 -36.5904 -135.674 39.5024 -13.3043 57.6289 -190.889 94.8626 -105.026 PRESSAVG: 3806000 -1.35534 -38.6171 12.3257 -38.6171 52.444 -13.6627 12.3256 -13.6626 -38.8976 GPRESSAVG: 3806000 -1.32942 -41.6065 14.3058 -40.2688 52.1662 -11.4406 11.2153 -14.7182 -39.1408 TIMING: 3806000 CPU: 11026.1, 0.00288605/step Wall: 11026.1, 0.00288606/step, 0.957208 hours remaining, 211.378906 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: 3806000 761.9157 2119.2015 1969.6155 111.6279 -205805.1928 17607.9452 0.0000 0.0000 34161.8544 -149073.0325 298.3440 -183234.8869 -148970.6592 299.5182 -133.7517 -102.8030 558328.6194 4.0637 3.8987 PRESSURE: 3806200 -42.9074 -41.8901 -11.835 -41.8894 -230.73 -24.5877 -11.8348 -24.588 -153.831 GPRESSURE: 3806200 19.9637 -34.2596 -64.6948 -32.9766 -200.965 -25.6593 14.1107 -108.293 -149.013 PRESSAVG: 3806200 -63.0762 -37.3358 -32.0258 -37.3357 7.61299 -3.74279 -32.0258 -3.74295 28.7562 GPRESSAVG: 3806200 -63.7328 -34.9971 -32.7505 -36.0206 7.42975 -6.65316 -33.3273 -3.67865 29.1936 TIMING: 3806200 CPU: 11026.7, 0.00289161/step Wall: 11026.7, 0.00289161/step, 0.958888 hours remaining, 211.378906 MB of memory in use. ENERGY: 3806200 758.1416 2083.7062 1949.4555 107.5834 -205858.1790 17800.7955 0.0000 0.0000 34101.1211 -149057.3756 297.8136 -183158.4966 -148960.6871 299.6590 -142.4894 -110.0046 559008.3831 -8.9023 -9.0365 PRESSURE: 3806400 -112.117 17.4771 67.1045 17.4781 -204.388 -57.504 67.1053 -57.5042 -310.591 GPRESSURE: 3806400 -39.6396 -3.90643 -30.0792 -11.0988 -182.957 -51.5623 134.446 -142.906 -297.413 PRESSAVG: 3806400 38.9715 -12.2244 13.5601 -12.2244 46.8886 -70.7233 13.5602 -70.7233 -42.4696 GPRESSAVG: 3806400 39.0754 -10.0401 13.0981 -13.6046 47.1537 -70.7024 16.211 -69.5073 -42.9216 TIMING: 3806400 CPU: 11027.2, 0.00287289/step Wall: 11027.2, 0.00287289/step, 0.952524 hours remaining, 211.378906 MB of memory in use. ENERGY: 3806400 761.5662 2078.0228 1946.5405 117.4470 -205975.7716 17728.9082 0.0000 0.0000 34384.5174 -148958.7694 300.2885 -183343.2868 -148854.1904 300.1619 -209.0319 -173.3362 560147.2988 14.4635 14.4358 PRESSURE: 3806600 -100.355 144.196 171.206 144.196 -205.022 -123.734 171.206 -123.733 -454.944 GPRESSURE: 3806600 -103.145 56.3081 143.741 200.738 -158.347 -47.408 151.256 -166.925 -408.36 PRESSAVG: 3806600 -30.3264 -15.8334 -25.687 -15.8334 111.237 -54.2194 -25.6871 -54.2194 -62.3482 GPRESSAVG: 3806600 -30.3821 -21.1577 -22.4082 -14.189 110.829 -52.7542 -28.3777 -54.5545 -61.7824 TIMING: 3806600 CPU: 11027.8, 0.00289103/step Wall: 11027.8, 0.00289103/step, 0.958376 hours remaining, 211.378906 MB of memory in use. ENERGY: 3806600 784.9048 2051.4879 1986.7285 125.4672 -205399.0571 17411.1574 0.0000 0.0000 34183.0585 -148856.2527 298.5292 -183039.3113 -148749.3714 299.3818 -253.4403 -223.2838 559251.8419 6.1875 6.2216 PRESSURE: 3806800 -102.164 -50.1768 68.9109 -50.176 -162.722 44.3803 68.9103 44.3799 157.942 GPRESSURE: 3806800 -37.9944 -40.2268 159.084 -54.0697 -123.909 74.9206 -54.3519 16.8587 162.152 PRESSAVG: 3806800 -13.5534 43.2794 -11.9018 43.2793 30.2691 -36.9327 -11.9017 -36.9327 48.4743 GPRESSAVG: 3806800 -13.8996 45.0463 -16.582 42.5657 28.8948 -38.5953 -10.8531 -35.9983 50.1848 TIMING: 3806800 CPU: 11028.4, 0.00289021/step Wall: 11028.4, 0.00289021/step, 0.957945 hours remaining, 211.378906 MB of memory in use. ENERGY: 3806800 735.1330 2075.7085 1982.6308 110.7942 -206105.0712 17771.0497 0.0000 0.0000 34458.6598 -148971.0953 300.9360 -183429.7551 -148870.9765 300.2831 -35.6481 0.0829 558400.5684 21.7300 21.7267 PRESSURE: 3807000 146.838 39.2547 -194.985 39.2531 -182.639 -69.3349 -194.986 -69.3374 275.814 GPRESSURE: 3807000 146.435 25.5261 -63.631 108.373 -112.932 -110.792 -171.876 60.4014 310.142 PRESSAVG: 3807000 28.8222 -6.98164 -3.71133 -6.98166 -68.6034 32.9314 -3.71134 32.9314 44.3836 GPRESSAVG: 3807000 28.6701 -4.70607 -1.6155 -8.83556 -67.5444 34.1349 -4.94888 32.5543 43.3532 TIMING: 3807000 CPU: 11029, 0.00286505/step Wall: 11029, 0.00286505/step, 0.949446 hours remaining, 211.378906 MB of memory in use. ENERGY: 3807000 739.0668 2121.7629 1961.4499 109.3059 -206226.3575 17867.1652 0.0000 0.0000 34412.2470 -149015.3598 300.5307 -183427.6068 -148917.1291 300.2486 80.0043 114.5482 556615.4088 1.5341 1.4930 PRESSURE: 3807200 -138.77 -113.09 53.8729 -113.091 5.52819 179.165 53.8743 179.164 -135.428 GPRESSURE: 3807200 -52.6021 -96.5462 45.0707 -65.7419 39.6991 184.845 54.6555 164.115 -143.42 PRESSAVG: 3807200 20.8449 18.6188 -9.63819 18.6188 -11.0634 -49.3902 -9.63809 -49.3902 -11.1942 GPRESSAVG: 3807200 21.9773 16.0111 -9.94489 19.8567 -10.2562 -48.9755 -8.90814 -48.9447 -12.3522 TIMING: 3807200 CPU: 11029.5, 0.00285459/step Wall: 11029.5, 0.00285459/step, 0.945821 hours remaining, 211.378906 MB of memory in use. ENERGY: 3807200 750.3003 2110.1724 1953.1989 119.9194 -205754.8026 17634.0123 0.0000 0.0000 34314.2737 -148872.9256 299.6751 -183187.1992 -148782.8617 300.5726 -89.5566 -52.1078 557388.5829 -0.4709 -0.2104 PRESSURE: 3807400 -43.1253 -115.872 -29.8239 -115.874 14.131 27.5408 -29.8225 27.542 -201.99 GPRESSURE: 3807400 -39.1521 -137.115 -60.5902 -124.728 53.9845 57.8306 -23.4265 37.1581 -143.647 PRESSAVG: 3807400 -25.2465 -12.6216 25.0608 -12.6215 22.3328 -73.2159 25.0609 -73.216 19.7178 GPRESSAVG: 3807400 -25.7088 -12.9001 25.3244 -11.1543 22.1013 -75.0188 24.5082 -73.9891 20.439 TIMING: 3807400 CPU: 11030.1, 0.00287981/step Wall: 11030.1, 0.00287981/step, 0.954018 hours remaining, 211.378906 MB of memory in use. ENERGY: 3807400 751.6240 2160.6696 1920.5521 118.8948 -206062.1853 17912.0195 0.0000 0.0000 34447.8775 -148750.5478 300.8419 -183198.4253 -148653.9798 300.4170 -76.9947 -42.9382 559040.6607 5.6013 5.6105 PRESSURE: 3807600 100.632 55.8103 -227.969 55.8098 -198.45 208.469 -227.969 208.468 3.67099 GPRESSURE: 3807600 143.625 28.5447 -192.887 71.0412 -194.971 205.677 -236.453 87.5502 57.6163 PRESSAVG: 3807600 28.0001 -15.238 13.4764 -15.238 -60.6342 9.18963 13.4764 9.18962 44.1387 GPRESSAVG: 3807600 27.6388 -11.7824 12.1803 -18.4822 -60.064 10.5816 15.0154 9.01528 44.0839 TIMING: 3807600 CPU: 11030.7, 0.00286893/step Wall: 11030.7, 0.00286893/step, 0.950254 hours remaining, 211.378906 MB of memory in use. ENERGY: 3807600 759.3401 2123.4161 1922.2419 112.7435 -206148.4462 17830.7823 0.0000 0.0000 34380.5794 -149019.3428 300.2542 -183399.9223 -148929.7552 299.9334 -31.3823 2.0903 558395.1833 3.8348 3.8862 PRESSURE: 3807800 -26.3441 -76.9133 -14.5244 -76.9136 107.54 83.3651 -14.5246 83.3657 -59.1473 GPRESSURE: 3807800 -39.5013 -28.3787 -144.502 -120.983 154.942 87.0461 -39.8852 84.2089 2.94872 PRESSAVG: 3807800 18.9843 -44.8699 1.72459 -44.8699 -34.9123 40.1138 1.72457 40.1138 55.2538 GPRESSAVG: 3807800 18.5404 -45.7748 1.02741 -42.3389 -36.2599 41.0505 0.356414 42.0517 56.3861 TIMING: 3807800 CPU: 11031.3, 0.00284879/step Wall: 11031.3, 0.00284879/step, 0.943424 hours remaining, 211.378906 MB of memory in use. ENERGY: 3807800 749.8756 2108.9386 1947.2672 106.7630 -205987.5995 17823.9870 0.0000 0.0000 34184.1907 -149066.5773 298.5390 -183250.7681 -148970.5395 299.9629 7.3497 39.4632 557847.2101 13.1086 12.8889 PRESSURE: 3808000 -21.1325 263.404 -20.0586 263.404 54.9911 125.911 -20.0597 125.911 171.639 GPRESSURE: 3808000 38.914 266.357 -4.48457 217.242 68.2659 114.203 -42.6081 151.849 187.015 PRESSAVG: 3808000 -12.4529 36.0221 6.50075 36.0222 -5.32345 66.1056 6.50067 66.1056 3.01236 GPRESSAVG: 3808000 -12.1532 35.4901 7.07723 35.2136 -3.94324 67.539 5.76498 63.0908 1.29051 TIMING: 3808000 CPU: 11031.8, 0.00284729/step Wall: 11031.8, 0.00284729/step, 0.94277 hours remaining, 211.378906 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: 3808000 739.9893 2077.1147 1957.6445 120.3319 -206329.2699 17894.7549 0.0000 0.0000 34402.6281 -149136.8065 300.4467 -183539.4347 -149039.7774 299.0104 68.4993 98.0650 556858.2046 -4.9213 -4.9353 PRESSURE: 3808200 -283.379 -10.7656 48.9188 -10.7658 -113.879 -202.77 48.9194 -202.769 -219.459 GPRESSURE: 3808200 -221.348 -24.0579 91.9188 -5.99717 -79.9075 -218.717 49.5112 -146.571 -209.601 PRESSAVG: 3808200 52.3747 65.9169 4.1658 65.917 -13.7751 -1.67249 4.16572 -1.67258 -58.0426 GPRESSAVG: 3808200 51.923 65.7835 5.72936 66.9317 -13.7069 -1.93484 4.50489 -1.32275 -57.3568 TIMING: 3808200 CPU: 11032.4, 0.00287679/step Wall: 11032.4, 0.00287679/step, 0.952376 hours remaining, 211.378906 MB of memory in use. ENERGY: 3808200 752.0293 2042.2299 1948.4848 112.2768 -205724.3816 17335.1459 0.0000 0.0000 34262.9016 -149271.3134 299.2264 -183534.2150 -149177.3694 298.8647 -205.5725 -170.2855 557870.6182 -6.4810 -6.3802 LDB: ============= START OF LOAD BALANCING ============== 11035.8 LDB: ============== END OF LOAD BALANCING =============== 11035.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11035.8 LDB: ============= START OF LOAD BALANCING ============== 11036.1 LDB: Largest compute 4773 load 0.026597 is 22.5% of average load 0.118031 LDB: Average compute 0.001727 is 1.5% of average load 0.118031 LDB: TIME 11036.1 LOAD: AVG 0.118031 MAX 0.179038 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.793 MB LDB: TIME 11036.1 LOAD: AVG 0.118031 MAX 0.179038 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.855 MB LDB: TIME 11036.1 LOAD: AVG 0.118031 MAX 0.179038 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.855 MB LDB: ============== END OF LOAD BALANCING =============== 11036.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11036.1 PRESSURE: 3808400 36.3837 60.0879 -1.32339 60.0887 -151.523 35.4529 -1.32382 35.4531 223.4 GPRESSURE: 3808400 33.2779 95.8929 23.4632 29.3018 -77.4718 25.8797 19.438 40.136 259.258 PRESSAVG: 3808400 12.3527 43.5143 46.5085 43.5143 -23.5289 -3.26798 46.5086 -3.26797 23.3856 GPRESSAVG: 3808400 13.567 43.288 44.2162 42.7935 -24.3457 -5.49249 48.1748 -2.40963 23.5317 TIMING: 3808400 CPU: 11033, 0.00294145/step Wall: 11033, 0.00294145/step, 0.973619 hours remaining, 211.757812 MB of memory in use. ENERGY: 3808400 738.2311 2055.6858 1944.3470 118.1935 -206376.4091 18035.7330 0.0000 0.0000 34355.4020 -149128.8166 300.0343 -183484.2186 -149035.9642 299.6311 36.0868 71.6880 557340.9481 4.0698 4.2510 PRESSURE: 3808600 -8.04076 27.4981 -77.7287 27.4991 -123.098 -75.2366 -77.7282 -75.237 -217.669 GPRESSURE: 3808600 2.97743 1.38967 5.92825 16.6275 -26.0497 -66.0996 -91.0836 -44.872 -223.239 PRESSAVG: 3808600 6.72092 16.695 -30.265 16.6951 40.6758 -41.5054 -30.2651 -41.5053 -37.9306 GPRESSAVG: 3808600 6.22562 16.0562 -29.2247 17.6875 41.4406 -40.7525 -32.9817 -39.8237 -38.1579 TIMING: 3808600 CPU: 11033.6, 0.00288709/step Wall: 11033.6, 0.00288709/step, 0.955465 hours remaining, 211.957031 MB of memory in use. ENERGY: 3808600 723.3155 2090.2333 1972.3752 124.6299 -205881.8709 17583.0198 0.0000 0.0000 34390.5104 -148997.7868 300.3409 -183388.2972 -148886.8340 299.8478 -116.2693 -82.1037 558576.5393 3.1553 3.1694 PRESSURE: 3808800 -10.6182 -104.338 126.063 -104.339 -3.89532 128.28 126.063 128.28 76.4361 GPRESSURE: 3808800 -3.03758 -95.618 80.5812 -120.452 22.4837 119.305 162.451 181.067 134.278 PRESSAVG: 3808800 -60.2496 5.20692 13.626 5.20683 92.0767 81.891 13.626 81.8909 -25.5091 GPRESSAVG: 3808800 -61.0679 3.92425 13.9372 3.71793 91.9667 81.1775 13.1376 80.8753 -24.4909 TIMING: 3808800 CPU: 11034.1, 0.00287527/step Wall: 11034.1, 0.00287527/step, 0.951396 hours remaining, 211.957031 MB of memory in use. ENERGY: 3808800 742.9409 2131.6548 1940.7403 116.7590 -206088.5212 17747.0921 0.0000 0.0000 34422.7592 -148986.5750 300.6225 -183409.3342 -148893.4468 299.4397 20.6409 51.2413 556858.8453 2.1060 2.1360 PRESSURE: 3809000 -129.43 76.9119 -23.1429 76.9115 76.2826 9.37051 -23.1426 9.3737 -73.4273 GPRESSURE: 3809000 -75.2974 135.989 -28.963 77.294 142.548 93.6185 -18.9505 -72.8976 -108.432 PRESSAVG: 3809000 30.1441 -7.10351 29.6815 -7.10345 -13.8817 11.1238 29.6814 11.1239 -27.7761 GPRESSAVG: 3809000 30.5958 -6.87057 30.4752 -7.17624 -12.8392 10.5428 30.713 12.8377 -29.0721 TIMING: 3809000 CPU: 11034.7, 0.00287852/step Wall: 11034.7, 0.00287852/step, 0.95231 hours remaining, 211.957031 MB of memory in use. ENERGY: 3809000 739.8645 2149.3602 1956.5286 105.6691 -206266.8548 17857.7368 0.0000 0.0000 34554.5126 -148903.1830 301.7732 -183457.6956 -148801.5488 299.6872 -42.1917 -13.7271 558857.7900 -3.8379 -3.7718 PRESSURE: 3809200 -111.914 -99.651 1.04572 -99.6502 67.6601 43.6179 1.04715 43.6172 187.297 GPRESSURE: 3809200 -112.107 -124.951 99.2621 -34.843 138.062 9.2941 25.6092 142.246 220.667 PRESSAVG: 3809200 -25.8182 19.7786 -32.3451 19.7785 58.8721 16.78 -32.3452 16.78 -41.9783 GPRESSAVG: 3809200 -26.1307 22.62 -33.1331 19.8132 58.8581 17.8786 -33.2403 15.7577 -40.6204 TIMING: 3809200 CPU: 11035.3, 0.00288515/step Wall: 11035.3, 0.00288515/step, 0.954344 hours remaining, 211.957031 MB of memory in use. ENERGY: 3809200 731.9578 2134.3349 1977.5235 119.1251 -206120.8337 17858.8764 0.0000 0.0000 34323.1044 -148975.9115 299.7522 -183299.0159 -148885.9407 300.1308 47.6809 82.2074 557770.6798 -2.9748 -2.6310 PRESSURE: 3809400 51.3958 123.707 -21.0233 123.706 50.5708 183.218 -21.0229 183.219 125.154 GPRESSURE: 3809400 96.3625 99.8955 -36.4151 189.508 97.6442 225.93 -50.116 33.7691 135.014 PRESSAVG: 3809400 8.83874 -33.3395 48.4954 -33.3395 2.5242 25.0296 48.4955 25.0296 -15.8449 GPRESSAVG: 3809400 9.0948 -36.8049 47.9069 -32.0871 3.25642 22.9859 50.1146 24.5347 -16.9832 TIMING: 3809400 CPU: 11035.9, 0.00287509/step Wall: 11035.9, 0.00287509/step, 0.950858 hours remaining, 211.957031 MB of memory in use. ENERGY: 3809400 718.2018 2107.9643 1941.9720 117.3873 -206467.3951 17902.6069 0.0000 0.0000 34623.4308 -149055.8320 302.3750 -183679.2628 -148952.4810 300.2922 75.7068 109.6737 557002.0186 -1.4940 -1.5440 PRESSURE: 3809600 153.302 -138.893 18.4143 -138.894 36.9373 -252.22 18.4125 -252.22 180.36 GPRESSURE: 3809600 132.822 -12.7163 65.359 -146.427 109.669 -144.981 17.8025 -207.981 229.17 PRESSAVG: 3809600 -5.80132 -36.3652 -23.0087 -36.3652 2.82979 -23.904 -23.0086 -23.9041 34.6075 GPRESSAVG: 3809600 -5.89831 -36.1512 -22.0432 -36.0549 1.76163 -21.436 -22.1404 -21.9373 35.6089 TIMING: 3809600 CPU: 11036.5, 0.00286701/step Wall: 11036.5, 0.00286701/step, 0.948024 hours remaining, 211.957031 MB of memory in use. ENERGY: 3809600 742.7598 2081.7566 1923.6233 123.2911 -206646.3683 18074.3925 0.0000 0.0000 34399.9107 -149300.6343 300.4230 -183700.5450 -149210.4532 299.5335 123.5332 157.2202 557937.2104 10.5453 10.4907 PRESSURE: 3809800 -38.1213 134.303 113.663 134.301 -154.014 189.51 113.664 189.51 124.054 GPRESSURE: 3809800 62.3789 81.2276 141.122 122.53 -186.347 179.176 228.29 143.107 156.356 PRESSAVG: 3809800 21.5709 -48.1182 43.3015 -48.1182 -36.0631 32.8294 43.3014 32.8294 30.0536 GPRESSAVG: 3809800 21.3351 -47.4205 41.6784 -49.8184 -35.7789 31.7627 43.1367 31.0819 29.941 TIMING: 3809800 CPU: 11037, 0.00285788/step Wall: 11037, 0.00285788/step, 0.944846 hours remaining, 211.957031 MB of memory in use. ENERGY: 3809800 765.2248 2147.0273 1931.8773 124.5000 -206354.8524 17955.2020 0.0000 0.0000 34186.5982 -149244.4229 298.5601 -183431.0210 -149149.4715 299.4145 -22.6938 10.7959 559257.6181 5.1871 5.1657 PRESSURE: 3810000 364.784 -69.282 -42.8238 -69.2805 170.478 106.573 -42.8242 106.572 201.098 GPRESSURE: 3810000 382.006 -123.252 0.35131 -73.1354 175.133 99.2173 46.1673 150.96 274.656 PRESSAVG: 3810000 30.6245 22.3152 -35.3309 22.3152 -39.6117 12.4995 -35.3308 12.4995 25.6966 GPRESSAVG: 3810000 29.6388 23.6275 -34.794 22.8702 -39.728 12.6036 -33.0713 12.3277 26.8444 TIMING: 3810000 CPU: 11037.6, 0.00288306/step Wall: 11037.6, 0.00288306/step, 0.953013 hours remaining, 211.957031 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: 3810000 726.3181 2117.0859 1971.4095 109.2979 -206454.9850 18114.0919 0.0000 0.0000 34190.9338 -149225.8479 298.5979 -183416.7817 -149132.0122 300.0122 245.4534 277.2652 558431.9263 5.5698 5.5851 PRESSURE: 3810200 193.82 29.6855 -112.174 29.6857 281.43 -161.246 -112.174 -161.246 183.28 GPRESSURE: 3810200 258.283 25.7465 -150.063 14.805 308.646 -232.757 -60.3599 -123.447 198.829 PRESSAVG: 3810200 29.7531 -29.6572 -13.1006 -29.6572 -37.7527 38.2447 -13.1006 38.2448 34.2058 GPRESSAVG: 3810200 30.7978 -32.4952 -11.7951 -29.6845 -37.8541 38.7014 -15.9763 38.0657 32.7683 TIMING: 3810200 CPU: 11038.2, 0.00287403/step Wall: 11038.2, 0.00287403/step, 0.949867 hours remaining, 211.957031 MB of memory in use. ENERGY: 3810200 738.2137 2150.8899 1946.9346 114.7933 -206481.4192 18000.8960 0.0000 0.0000 34316.6886 -149213.0031 299.6962 -183529.6917 -149117.9516 299.1720 219.5100 255.2524 556115.3415 8.7354 8.5707 PRESSURE: 3810400 -166.704 -29.724 145.035 -29.7242 -122.894 67.143 145.035 67.1444 -53.7391 GPRESSURE: 3810400 -170.886 64.6353 53.8082 -110.378 -89.744 183.98 232.34 123.427 19.1908 PRESSAVG: 3810400 -9.84463 -32.2239 -1.11181 -32.224 -15.8005 -4.61666 -1.11185 -4.61667 24.8146 GPRESSAVG: 3810400 -9.48985 -29.1412 -2.4091 -31.607 -16.4315 -5.51339 -0.62175 -4.6412 24.5872 TIMING: 3810400 CPU: 11038.7, 0.00287389/step Wall: 11038.7, 0.00287389/step, 0.949662 hours remaining, 211.957031 MB of memory in use. ENERGY: 3810400 728.3158 2121.2294 1987.4684 120.7824 -205951.2308 17494.5299 0.0000 0.0000 34300.7988 -149198.1060 299.5574 -183498.9048 -149104.9260 299.4870 -114.4457 -80.4797 557386.4502 -0.2769 -0.4447 PRESSURE: 3810600 107.681 -95.6703 -63.5064 -95.67 -149.109 -78.0009 -63.5069 -78.0006 105.323 GPRESSURE: 3810600 116.256 -156.219 -40.4006 -77.1123 -42.4124 -123.837 -48.0113 -111.138 79.9349 PRESSAVG: 3810600 44.819 6.21008 53.9508 6.21009 13.2199 66.2097 53.9509 66.2096 -42.0622 GPRESSAVG: 3810600 43.5341 5.59201 54.8603 4.42368 14.7648 66.1371 53.9782 66.4393 -42.3886 TIMING: 3810600 CPU: 11039.3, 0.00286933/step Wall: 11039.3, 0.00286933/step, 0.947994 hours remaining, 211.957031 MB of memory in use. ENERGY: 3810600 734.3268 2144.7013 1952.4765 124.6378 -206255.3753 17965.8556 0.0000 0.0000 34091.1901 -149242.1871 297.7268 -183333.3772 -149151.2157 299.1814 21.2985 51.2595 558839.6616 5.3256 5.3034 PRESSURE: 3810800 -206.59 142.587 -148.923 142.589 -16.6966 -19.8147 -148.923 -19.8142 -131.515 GPRESSURE: 3810800 -134.185 61.6684 -210.935 107.838 -19.1759 5.38001 -148.275 -108.377 -96.9311 PRESSAVG: 3810800 -53.9241 19.5651 -6.40238 19.5652 16.463 12.2407 -6.4024 12.2407 16.1442 GPRESSAVG: 3810800 -54.1529 18.6056 -6.92854 21.617 14.6462 13.5036 -7.24869 11.6278 18.3252 TIMING: 3810800 CPU: 11039.9, 0.0028643/step Wall: 11039.9, 0.0028643/step, 0.946174 hours remaining, 211.957031 MB of memory in use. ENERGY: 3810800 724.0128 2045.0554 1949.1097 119.2292 -205994.8848 17574.4778 0.0000 0.0000 34462.1639 -149120.8361 300.9666 -183583.0000 -149022.9031 298.9227 -118.2673 -83.4307 558093.9044 -7.1056 -7.0605 PRESSURE: 3811000 85.6177 -23.6921 240.89 -23.6915 101.719 81.2762 240.89 81.2781 -262.587 GPRESSURE: 3811000 104.231 29.0281 280.221 -69.4208 124.7 151.144 170.229 123.738 -201.475 PRESSAVG: 3811000 -13.6161 43.1568 47.8894 43.1569 20.7217 15.9925 47.8895 15.9925 -11.4517 GPRESSAVG: 3811000 -12.5556 44.3292 49.6059 42.1089 21.188 14.8492 48.0436 15.7914 -12.6272 TIMING: 3811000 CPU: 11040.5, 0.00287517/step Wall: 11040.5, 0.00287517/step, 0.949604 hours remaining, 211.957031 MB of memory in use. ENERGY: 3811000 755.7021 2114.9324 1945.5340 115.6807 -206345.6098 17999.6267 0.0000 0.0000 34336.7301 -149077.4038 299.8712 -183414.1339 -148981.9081 299.9346 -25.0835 9.1521 558465.3321 -1.4487 -1.3316 PRESSURE: 3811200 -63.8896 -129.21 -153.478 -129.209 70.1971 -5.87378 -153.478 -5.87592 -75.1798 GPRESSURE: 3811200 -34.6212 -172.404 -136.295 -16.4657 82.9038 27.21 -164.28 16.8216 -17.319 PRESSAVG: 3811200 -0.0950449 1.96234 -10.7543 1.96234 -27.5498 -15.0208 -10.7544 -15.0209 77.9514 GPRESSAVG: 3811200 -1.27038 2.09597 -12.0172 0.96869 -27.2278 -12.1185 -10.4835 -14.9325 78.462 TIMING: 3811200 CPU: 11041, 0.00289598/step Wall: 11041, 0.00289598/step, 0.956318 hours remaining, 211.957031 MB of memory in use. ENERGY: 3811200 716.2490 2085.3529 1974.2609 122.7849 -206319.2829 17830.1188 0.0000 0.0000 34440.1985 -149150.3179 300.7748 -183590.5164 -149050.2833 299.3733 -22.9574 10.3212 558420.4691 16.7689 16.6546 PRESSURE: 3811400 71.7159 -107.045 52.2755 -107.044 -189.999 -86.28 52.2739 -86.2818 -23.037 GPRESSURE: 3811400 103.283 -60.5483 65.1677 -110.087 -165.537 -174.339 -23.9964 -8.54592 5.10206 PRESSAVG: 3811400 -17.8677 -11.4402 -38.9795 -11.4402 13.7939 35.6351 -38.9796 35.6351 16.329 GPRESSAVG: 3811400 -18.6237 -12.056 -39.279 -12.1441 13.966 34.162 -40.4146 37.921 16.3192 TIMING: 3811400 CPU: 11041.6, 0.00288991/step Wall: 11041.6, 0.00288991/step, 0.954153 hours remaining, 211.957031 MB of memory in use. ENERGY: 3811400 729.1875 2122.2403 1946.5592 103.4003 -206073.1637 17785.0602 0.0000 0.0000 34309.6972 -149077.0190 299.6351 -183386.7163 -148971.8683 299.6218 -47.1068 -19.0507 558430.1896 4.0851 3.8872 PRESSURE: 3811600 61.5287 175.816 63.2549 175.815 -67.7949 61.5227 63.2542 61.522 -67.8774 GPRESSURE: 3811600 98.0761 189.9 -14.5766 230.752 -31.121 -13.1681 75 110.193 -38.2003 PRESSAVG: 3811600 73.8754 8.46822 3.71782 8.46825 -47.8663 -26.1479 3.71782 -26.1479 9.99793 GPRESSAVG: 3811600 74.6531 7.52993 3.26535 10.9786 -47.0082 -26.8216 4.51579 -27.6528 8.3397 TIMING: 3811600 CPU: 11042.2, 0.0028987/step Wall: 11042.2, 0.0028987/step, 0.956892 hours remaining, 211.957031 MB of memory in use. ENERGY: 3811600 744.2126 2079.9593 1971.0000 110.3011 -205974.6817 17711.2000 0.0000 0.0000 34197.1625 -149160.8461 298.6523 -183358.0086 -149062.6097 299.2254 -24.7146 9.5850 558261.5241 12.0023 11.9949 PRESSURE: 3811800 -290.557 -148.781 131.001 -148.78 -45.6342 175.172 131.002 175.173 -247.856 GPRESSURE: 3811800 -278.847 -60.7192 137.679 -115.423 1.57622 189.793 87.8188 134.601 -206.193 PRESSAVG: 3811800 8.88006 24.1662 32.2279 24.1663 -26.3623 49.1607 32.2279 49.1606 -5.14046 GPRESSAVG: 3811800 8.32838 25.5336 33.9268 23.4061 -27.8728 49.2841 31.9588 48.327 -2.5844 TIMING: 3811800 CPU: 11042.8, 0.00289045/step Wall: 11042.8, 0.00289045/step, 0.954008 hours remaining, 211.957031 MB of memory in use. ENERGY: 3811800 733.2859 2063.9487 1942.8637 108.6889 -206015.0816 17539.1475 0.0000 0.0000 34226.4086 -149400.7384 298.9077 -183627.1470 -149315.1741 298.4701 -194.6825 -161.1549 558571.1085 -7.5409 -7.3763 PRESSURE: 3812000 -65.1379 -72.4889 -170.672 -72.4891 -159.484 -40.2757 -170.672 -40.2762 -198.165 GPRESSURE: 3812000 10.5648 -53.6136 -211.103 -74.0262 -133.203 -56.0898 -122.015 -47.9042 -199.859 PRESSAVG: 3812000 -4.04275 -5.12306 -31.593 -5.12305 38.8965 19.9584 -31.593 19.9585 2.6199 GPRESSAVG: 3812000 -3.24058 -6.0146 -32.1033 -4.54574 41.1684 19.6341 -32.9101 20.5856 -0.624063 TIMING: 3812000 CPU: 11043.4, 0.00286503/step Wall: 11043.4, 0.00286503/step, 0.945459 hours remaining, 211.957031 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: 3812000 763.0158 2049.3979 1958.6647 118.6734 -205876.4032 17579.5577 0.0000 0.0000 34062.2135 -149344.8801 297.4738 -183407.0936 -149247.8271 298.5279 -140.9292 -107.4991 558269.8636 12.4912 12.4346 PRESSURE: 3812200 33.9897 -113.143 34.8472 -113.142 297.783 1.18061 34.8473 1.18056 182.404 GPRESSURE: 3812200 59.2138 -75.5344 1.78993 2.97444 316.742 27.6834 106.3 9.57693 243.3 PRESSAVG: 3812200 -31.1143 0.495641 -13.4521 0.495657 31.9411 -26.4085 -13.4521 -26.4084 -3.01198 GPRESSAVG: 3812200 -31.1558 1.85425 -14.4984 -0.202391 30.1251 -27.9793 -9.47754 -24.9617 -1.1367 TIMING: 3812200 CPU: 11043.9, 0.00285565/step Wall: 11043.9, 0.00285565/step, 0.942206 hours remaining, 211.957031 MB of memory in use. ENERGY: 3812200 755.3457 2029.0464 1967.3483 112.1500 -206899.1813 18184.3591 0.0000 0.0000 34507.9183 -149343.0136 301.3662 -183850.9319 -149244.8241 299.2674 171.3925 206.4183 556647.9468 -0.7284 -0.7225 LDB: ============= START OF LOAD BALANCING ============== 11047.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11047.3 LDB: =============== DONE WITH MIGRATION ================ 11047.3 LDB: ============= START OF LOAD BALANCING ============== 11047.6 LDB: Largest compute 4773 load 0.024165 is 20.5% of average load 0.118117 LDB: Average compute 0.001721 is 1.5% of average load 0.118117 LDB: TIME 11047.6 LOAD: AVG 0.118117 MAX 0.177704 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.18 MB LDB: TIME 11047.6 LOAD: AVG 0.118117 MAX 0.177704 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.18 MB LDB: TIME 11047.6 LOAD: AVG 0.118117 MAX 0.177704 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.18 MB LDB: ============== END OF LOAD BALANCING =============== 11047.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11047.6 PRESSURE: 3812400 67.5075 -79.407 -41.5908 -79.4068 -166.442 98.1574 -41.591 98.1566 112.854 GPRESSURE: 3812400 101.07 -12.6573 -86.4504 -66.6052 -154.496 103.299 56.2786 97.178 163.749 PRESSAVG: 3812400 10.1048 5.77778 23.7559 5.77781 -6.88633 18.0334 23.7559 18.0333 -4.95073 GPRESSAVG: 3812400 8.76887 4.80944 24.8906 8.35676 -6.7217 17.9539 23.5304 17.5488 -4.59271 TIMING: 3812400 CPU: 11044.5, 0.00290918/step Wall: 11044.5, 0.00290918/step, 0.959707 hours remaining, 209.636719 MB of memory in use. ENERGY: 3812400 718.6197 2114.9345 1936.5961 128.7010 -206160.9777 17833.9381 0.0000 0.0000 34029.3539 -149398.8344 297.1868 -183428.1884 -149304.5449 298.6931 4.6400 36.7743 557213.2602 -0.5774 -0.8485 PRESSURE: 3812600 214.829 -116.674 47.73 -116.674 -106.717 -62.0901 47.731 -62.0901 -115.634 GPRESSURE: 3812600 249.346 -96.8516 57.9922 -130.087 -41.6471 -22.0747 95.1063 -98.4802 -117.591 PRESSAVG: 3812600 82.7088 -47.1307 35.1252 -47.1308 -83.2252 -4.74808 35.1251 -4.74798 4.37147 GPRESSAVG: 3812600 83.13 -48.4791 34.4796 -48.4364 -83.7458 -1.29162 34.3492 -6.10465 4.64909 TIMING: 3812600 CPU: 11045.1, 0.00286831/step Wall: 11045.1, 0.00286831/step, 0.946066 hours remaining, 209.636719 MB of memory in use. ENERGY: 3812600 729.6425 2091.9204 1953.7823 107.7381 -206607.1598 17942.9777 0.0000 0.0000 34452.5891 -149328.5097 300.8830 -183781.0988 -149224.3805 298.7915 -2.5071 30.0362 557606.0627 1.2850 1.3444 PRESSURE: 3812800 -153.293 -80.3909 89.0752 -80.3903 2.06648 -50.4768 89.0742 -50.4763 146.717 GPRESSURE: 3812800 -159.779 -54.114 47.399 -7.03879 58.9865 -47.0456 79.7075 -37.3235 193.263 PRESSAVG: 3812800 -4.21257 -28.292 -2.44863 -28.2919 -4.4499 2.71857 -2.44864 2.71863 8.40964 GPRESSAVG: 3812800 -4.10805 -27.6231 -2.2411 -28.1546 -4.13273 0.195971 -5.31228 5.26576 8.38528 TIMING: 3812800 CPU: 11045.7, 0.00287546/step Wall: 11045.7, 0.00287545/step, 0.948261 hours remaining, 209.636719 MB of memory in use. ENERGY: 3812800 757.1965 2111.0488 1934.4006 110.8323 -206374.9516 17719.0870 0.0000 0.0000 34235.9797 -149506.4068 298.9913 -183742.3864 -149411.4790 299.0506 -1.5031 30.8235 555858.5180 -0.0843 0.0482 PRESSURE: 3813000 144.05 84.8519 42.3572 84.852 77.2022 -130.127 42.3584 -130.128 -79.9613 GPRESSURE: 3813000 160.883 156.27 145.215 -10.4214 118.858 -172.084 -11.4018 -102.877 -42.8977 PRESSAVG: 3813000 16.9962 -36.0674 0.722502 -36.0673 -23.7892 -26.6885 0.722613 -26.6884 49.7687 GPRESSAVG: 3813000 15.9051 -34.1629 1.26155 -36.6912 -21.9706 -27.9583 3.39293 -29.263 48.9462 TIMING: 3813000 CPU: 11046.2, 0.0028767/step Wall: 11046.2, 0.0028767/step, 0.948513 hours remaining, 209.636719 MB of memory in use. ENERGY: 3813000 715.3046 2092.4658 1950.5752 127.5834 -206391.8774 17877.7249 0.0000 0.0000 34198.7270 -149429.4964 298.6660 -183628.2235 -149341.1978 298.7539 47.0971 78.9479 557557.6308 14.3252 14.2936 PRESSURE: 3813200 -35.3644 81.0353 -51.4165 81.0357 93.9013 111.585 -51.4174 111.584 -217.567 GPRESSURE: 3813200 -24.2643 100.876 -42.5492 36.5694 106.603 114.45 -38.4315 167.108 -138.95 PRESSAVG: 3813200 -11.4097 34.2273 -11.2253 34.2273 -9.02921 44.1931 -11.2253 44.1931 76.9053 GPRESSAVG: 3813200 -11.3565 33.7404 -12.9092 34.0443 -8.73696 46.9377 -12.1044 45.7777 77.0714 TIMING: 3813200 CPU: 11046.8, 0.00286429/step Wall: 11046.8, 0.00286429/step, 0.94426 hours remaining, 209.636719 MB of memory in use. ENERGY: 3813200 777.2098 2073.3846 1950.0672 123.2078 -206395.8474 17869.8059 0.0000 0.0000 34422.3672 -149179.8050 300.6191 -183602.1722 -149085.4989 299.1329 -53.0099 -18.8704 557282.0494 18.8221 18.9927 PRESSURE: 3813400 -289.011 -89.9136 -65.5829 -89.9131 -485.598 137.658 -65.5837 137.657 -514.119 GPRESSURE: 3813400 -294.727 -126.663 -61.4685 -108.973 -430.579 157.082 -85.6681 109.684 -457.809 PRESSAVG: 3813400 -57.3378 14.0113 -14.5373 14.0112 31.5628 33.7594 -14.5374 33.7593 26.9908 GPRESSAVG: 3813400 -56.6993 12.9172 -14.8547 13.2646 30.6696 31.5181 -13.0685 33.8296 27.4599 TIMING: 3813400 CPU: 11047.4, 0.00288259/step Wall: 11047.4, 0.00288259/step, 0.950135 hours remaining, 209.636719 MB of memory in use. ENERGY: 3813400 797.2676 2053.6660 1935.8623 97.5069 -205800.1381 17483.9804 0.0000 0.0000 34211.9814 -149219.8735 298.7817 -183431.8549 -149126.6910 298.8321 -429.5760 -394.3718 558962.2265 0.4053 0.4768 PRESSURE: 3813600 -40.1871 -2.2053 -165.271 -2.20601 23.0505 -154.943 -165.272 -154.943 -101.267 GPRESSURE: 3813600 18.008 -40.7681 -84.6914 -8.38866 16.4543 -88.2385 -213.102 -190.314 -42.6032 PRESSAVG: 3813600 -28.2576 -50.7329 -30.0581 -50.7329 16.6262 5.95171 -30.0582 5.95184 32.6111 GPRESSAVG: 3813600 -26.6253 -51.1206 -29.8284 -49.1453 15.8229 8.84159 -30.1713 3.90813 32.3356 TIMING: 3813600 CPU: 11048, 0.00285881/step Wall: 11048, 0.00285881/step, 0.942136 hours remaining, 209.636719 MB of memory in use. ENERGY: 3813600 743.2886 2082.4630 1928.5213 111.2288 -206295.1806 17843.4067 0.0000 0.0000 34220.5661 -149365.7061 298.8567 -183586.2723 -149272.5938 298.6031 -39.4680 -2.7137 558712.6721 6.9932 7.1777 PRESSURE: 3813800 -194.137 141.343 91.7194 141.344 108.711 16.7354 91.7191 16.735 37.3874 GPRESSURE: 3813800 -172.862 96.0884 67.0489 81.7831 101.937 88.7902 62.9924 -9.95914 127.687 PRESSAVG: 3813800 -75.2933 -12.1626 -78.0441 -12.1627 16.917 -34.628 -78.0442 -34.628 40.1798 GPRESSAVG: 3813800 -77.0582 -11.9616 -79.3604 -13.8037 17.593 -34.6041 -76.9936 -32.9425 40.8615 TIMING: 3813800 CPU: 11048.5, 0.00285115/step Wall: 11048.5, 0.00285115/step, 0.939453 hours remaining, 209.636719 MB of memory in use. ENERGY: 3813800 747.7848 2081.9952 1962.7831 101.8160 -206938.3497 17970.2048 0.0000 0.0000 34465.3575 -149608.4083 300.9945 -184073.7658 -149520.8898 298.8417 -16.0130 18.9207 557831.1180 -6.0655 -6.2013 PRESSURE: 3814000 -29.2672 58.1784 143.214 58.1776 -247.073 81.8483 143.215 81.8478 -114.082 GPRESSURE: 3814000 59.8282 94.4396 130.843 101.301 -250.637 79.1662 132.171 96.9942 -88.6387 PRESSAVG: 3814000 -15.6308 -36.0183 -18.0176 -36.0183 12.4206 -42.075 -18.0175 -42.075 47.6847 GPRESSAVG: 3814000 -14.3075 -36.8434 -15.3387 -35.3851 11.4863 -42.1775 -19.3343 -42.6533 47.2083 TIMING: 3814000 CPU: 11049.1, 0.00286372/step Wall: 11049.1, 0.00286372/step, 0.943438 hours remaining, 209.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3814000 757.6606 2067.0962 1956.9542 121.1070 -206318.5491 17794.7980 0.0000 0.0000 34126.5161 -149494.4170 298.0354 -183620.9331 -149399.2948 298.4918 -130.1405 -93.1490 557988.1572 14.8248 14.7957 PRESSURE: 3814200 25.417 101.94 37.7369 101.941 -9.60414 -249.438 37.7382 -249.44 79.5559 GPRESSURE: 3814200 111.681 59.6674 -13.2602 123.76 42.7848 -329.049 93.3966 -176.491 46.3341 PRESSAVG: 3814200 82.2467 -51.1128 -11.7906 -51.113 -63.845 -49.4322 -11.7907 -49.4322 -30.1811 GPRESSAVG: 3814200 81.7283 -48.2889 -11.6846 -52.2305 -63.1667 -51.1905 -11.8011 -48.3967 -30.3603 TIMING: 3814200 CPU: 11049.7, 0.00285091/step Wall: 11049.7, 0.00285091/step, 0.939058 hours remaining, 209.636719 MB of memory in use. ENERGY: 3814200 774.1327 2085.7748 1943.3161 108.7045 -206945.3231 18103.3794 0.0000 0.0000 34303.3091 -149626.7066 299.5793 -183930.0157 -149535.2404 297.9793 31.7896 66.9334 558008.8795 -3.9265 -3.9329 PRESSURE: 3814400 -188.329 -77.9115 40.7137 -77.9115 -251.869 -121.239 40.7142 -121.238 39.1504 GPRESSURE: 3814400 -141.014 -31.4422 102.322 -167.797 -207.187 -102.374 -37.798 -111.493 51.255 PRESSAVG: 3814400 -6.82227 -20.1791 39.6752 -20.1791 31.0113 -59.6053 39.675 -59.6054 -53.2843 GPRESSAVG: 3814400 -6.09508 -21.0327 38.134 -18.943 30.1004 -57.9895 39.3266 -61.0574 -52.8512 TIMING: 3814400 CPU: 11050.2, 0.00284974/step Wall: 11050.2, 0.00284974/step, 0.938513 hours remaining, 209.636719 MB of memory in use. ENERGY: 3814400 738.1550 2129.4018 1938.5432 112.4287 -206562.4573 17885.5117 0.0000 0.0000 34257.0330 -149501.3839 299.1752 -183758.4168 -149406.5639 298.0026 -133.6826 -98.9819 558297.9479 -9.6984 -9.6153 PRESSURE: 3814600 -84.5679 -131.671 -101.958 -131.671 76.6617 -18.8404 -101.958 -18.8399 -181.207 GPRESSURE: 3814600 -22.6867 -49.0569 -88.1486 -70.4374 44.9547 -42.632 -173.6 60.0509 -116.066 PRESSAVG: 3814600 -34.8408 -39.1236 -16.7023 -39.1237 27.0955 -35.5128 -16.7022 -35.5128 29.3907 GPRESSAVG: 3814600 -35.7242 -38.3831 -14.5181 -38.6568 28.0851 -36.0986 -19.0383 -32.8097 29.3536 TIMING: 3814600 CPU: 11050.8, 0.00286279/step Wall: 11050.8, 0.00286279/step, 0.942653 hours remaining, 209.636719 MB of memory in use. ENERGY: 3814600 718.5032 2108.7758 1946.1163 120.2161 -206025.9527 17634.8494 0.0000 0.0000 34014.3781 -149483.1137 297.0560 -183497.4918 -149377.3682 298.8061 -63.0377 -31.2660 557266.1755 7.2151 7.2382 PRESSURE: 3814800 -438.517 -14.11 43.9751 -14.1125 -295.92 24.1182 43.9746 24.1181 -93.0603 GPRESSURE: 3814800 -469.394 -4.35686 57.3501 14.9206 -184.446 26.0538 28.2486 95.4988 -76.7528 PRESSAVG: 3814800 33.7351 22.8825 -9.98745 22.8825 -47.1807 16.8519 -9.98744 16.8518 6.19075 GPRESSAVG: 3814800 33.7845 22.3635 -11.834 22.1569 -47.5018 15.8124 -6.67215 15.7662 6.6437 TIMING: 3814800 CPU: 11051.4, 0.002874/step Wall: 11051.4, 0.002874/step, 0.946184 hours remaining, 209.636719 MB of memory in use. ENERGY: 3814800 746.6188 2135.4485 1947.0580 104.9176 -206190.0308 17400.9209 0.0000 0.0000 34442.8225 -149412.2445 300.7977 -183855.0670 -149314.1673 298.7786 -275.8326 -243.5311 556378.9366 -2.4183 -2.3579 PRESSURE: 3815000 346.583 -213.978 -54.4507 -213.979 134.724 127.963 -54.4504 127.963 58.1763 GPRESSURE: 3815000 414.94 -251.652 -56.8969 -163.677 161.638 115.763 -21.4398 149.094 57.5659 PRESSAVG: 3815000 -53.9575 2.92875 12.2338 2.92872 -26.1381 72.7305 12.2339 72.7305 46.074 GPRESSAVG: 3815000 -53.3488 1.1178 11.2651 4.4328 -26.3021 74.2671 10.3821 71.2629 45.5925 TIMING: 3815000 CPU: 11052, 0.00286572/step Wall: 11052, 0.00286572/step, 0.943299 hours remaining, 209.636719 MB of memory in use. ENERGY: 3815000 734.3502 2130.1705 1936.6558 108.9900 -206493.9784 17922.3081 0.0000 0.0000 34292.1722 -149369.3316 299.4821 -183661.5038 -149269.5799 299.4869 179.8278 211.3812 555181.6889 -11.3405 -11.3528 PRESSURE: 3815200 41.9427 143.552 51.8467 143.553 -15.2339 23.9372 51.8463 23.9369 214.175 GPRESSURE: 3815200 79.9886 1.18521 48.6337 160.461 40.858 78.7927 37.4332 25.309 211.739 PRESSAVG: 3815200 -27.0461 16.6859 4.44427 16.686 -18.7186 -0.285303 4.44416 -0.28535 71.514 GPRESSAVG: 3815200 -27.0206 19.0097 6.15422 15.2744 -17.7466 -2.5435 6.70403 1.53771 70.5341 TIMING: 3815200 CPU: 11052.5, 0.00286704/step Wall: 11052.5, 0.00286704/step, 0.943575 hours remaining, 209.636719 MB of memory in use. ENERGY: 3815200 710.2595 2126.3811 1902.2363 124.3263 -206228.7469 17946.2294 0.0000 0.0000 34259.8409 -149159.4734 299.1997 -183419.3143 -149062.0423 299.6317 80.2946 110.8619 557066.8478 8.5831 8.5890 PRESSURE: 3815400 57.9454 76.7149 59.8543 76.716 20.7133 -40.806 59.854 -40.8061 -143.165 GPRESSURE: 3815400 75.609 214.693 37.8829 39.4821 55.7385 -35.9951 -8.26514 -12.7414 -103.13 PRESSAVG: 3815400 4.81368 69.2506 59.8103 69.2504 8.57305 -37.9855 59.8103 -37.9855 -5.69987 GPRESSAVG: 3815400 5.97438 66.3326 59.2731 71.4478 7.49229 -35.5412 57.4101 -40.3052 -5.94566 TIMING: 3815400 CPU: 11053.1, 0.00287801/step Wall: 11053.1, 0.00287801/step, 0.947026 hours remaining, 209.636719 MB of memory in use. ENERGY: 3815400 734.7861 2112.2389 1937.6556 107.4139 -205986.6550 17740.4045 0.0000 0.0000 34309.2485 -149044.9074 299.6312 -183354.1559 -148947.5665 299.2540 -21.5021 9.4057 557998.1707 2.5623 2.5070 PRESSURE: 3815600 -204.763 -15.4296 132.183 -15.4295 -66.2165 -151.341 132.184 -151.342 -178.353 GPRESSURE: 3815600 -177.247 7.76601 133.674 -10.0739 -48.5633 -51.4672 138.86 -176.147 -118.332 PRESSAVG: 3815600 -12.0924 -18.4335 57.9983 -18.4334 18.28 -0.807338 57.9983 -0.807351 -22.889 GPRESSAVG: 3815600 -13.1577 -16.3069 58.4821 -22.7211 18.2876 -0.0904048 59.4904 -1.14863 -21.8199 TIMING: 3815600 CPU: 11053.7, 0.00288993/step Wall: 11053.7, 0.00288993/step, 0.950788 hours remaining, 209.636719 MB of memory in use. ENERGY: 3815600 765.1303 2108.9571 1935.1232 117.8331 -205845.8269 17481.9720 0.0000 0.0000 34529.1519 -148907.6594 301.5517 -183436.8112 -148810.6357 300.1303 -149.7777 -114.7143 558507.1245 -5.5671 -5.5633 PRESSURE: 3815800 151.239 -77.835 29.4615 -77.8338 62.8414 -18.8445 29.4617 -18.8455 9.99973 GPRESSURE: 3815800 131.001 -127.481 -19.0661 -49.9934 151.975 -18.6366 61.7329 -33.9412 52.5269 PRESSAVG: 3815800 9.65812 -57.066 26.4625 -57.066 56.3798 50.3617 26.4625 50.3617 -32.958 GPRESSAVG: 3815800 9.39884 -57.5352 27.808 -55.3008 56.3502 49.0636 25.1389 50.101 -32.6813 TIMING: 3815800 CPU: 11054.3, 0.00290075/step Wall: 11054.3, 0.00290075/step, 0.954186 hours remaining, 209.636719 MB of memory in use. ENERGY: 3815800 737.9452 2102.2573 1902.5735 116.2760 -206273.1605 18025.2584 0.0000 0.0000 34387.5798 -149001.2703 300.3153 -183388.8501 -148898.7173 301.0661 74.6932 111.8346 558668.8877 11.0267 11.0226 PRESSURE: 3816000 54.6255 190.139 -23.6761 190.14 -48.8015 101.763 -23.6747 101.762 -146.586 GPRESSURE: 3816000 106.616 217.256 -37.142 207.717 -41.049 51.6136 38.0261 160.113 -105.547 PRESSAVG: 3816000 19.8221 5.08479 2.26508 5.08473 25.9809 5.40586 2.26503 5.40581 -32.9545 GPRESSAVG: 3816000 19.4161 5.51142 -0.513238 6.77842 26.8146 5.47717 4.19798 6.65623 -33.4023 TIMING: 3816000 CPU: 11054.9, 0.0029192/step Wall: 11054.9, 0.0029192/step, 0.960091 hours remaining, 209.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3816000 726.3180 2120.4202 1938.5282 129.0845 -206103.6726 17709.8589 0.0000 0.0000 34437.6414 -149041.8213 300.7525 -183479.4628 -148955.2795 300.6615 -46.9206 -13.3267 557683.7739 4.2828 4.2761 PRESSURE: 3816200 -177.088 32.9054 36.9772 32.9041 149.472 4.91161 36.9762 4.91084 9.011 GPRESSURE: 3816200 -134.381 -46.0664 -12.9688 41.8418 197.66 -20.1484 53.1791 65.7833 26.2906 PRESSAVG: 3816200 -10.3693 -21.105 17.4702 -21.105 4.84058 7.52351 17.4702 7.52358 8.35108 GPRESSAVG: 3816200 -10.1768 -18.8209 21.211 -23.316 3.29085 7.54864 13.6812 5.02672 9.57208 TIMING: 3816200 CPU: 11055.4, 0.00288634/step Wall: 11055.4, 0.00288634/step, 0.949125 hours remaining, 209.636719 MB of memory in use. ENERGY: 3816200 752.6633 2115.4158 1958.4949 123.1092 -205941.2475 17835.8459 0.0000 0.0000 34090.5308 -149065.1878 297.7211 -183155.7186 -148969.5536 300.4387 -6.2017 29.8564 557782.9574 0.9408 0.8954 LDB: ============= START OF LOAD BALANCING ============== 11058.8 LDB: ============== END OF LOAD BALANCING =============== 11058.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11058.8 LDB: ============= START OF LOAD BALANCING ============== 11059.1 LDB: Largest compute 4773 load 0.025124 is 21.3% of average load 0.118083 LDB: Average compute 0.001731 is 1.5% of average load 0.118083 LDB: TIME 11059.1 LOAD: AVG 0.118083 MAX 0.178714 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.43 MB LDB: TIME 11059.1 LOAD: AVG 0.118083 MAX 0.178714 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.43 MB LDB: TIME 11059.1 LOAD: AVG 0.118083 MAX 0.178714 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.43 MB LDB: ============== END OF LOAD BALANCING =============== 11059.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11059.1 PRESSURE: 3816400 261.415 -5.0328 -102.373 -5.03441 126.118 149.335 -102.375 149.334 372.114 GPRESSURE: 3816400 324.083 -131.102 -125.874 -17.9395 126.228 176.263 -145.217 195.489 404.671 PRESSAVG: 3816400 24.3508 -56.1317 -17.8912 -56.1317 45.8514 -3.43412 -17.8913 -3.43416 -76.5247 GPRESSAVG: 3816400 24.1702 -57.0023 -19.8365 -55.4853 48.0403 -3.40267 -15.3748 -0.679062 -78.4223 TIMING: 3816400 CPU: 11056, 0.00293748/step Wall: 11056, 0.00293749/step, 0.96578 hours remaining, 212.460938 MB of memory in use. ENERGY: 3816400 712.6503 2062.3075 1946.9664 111.6672 -206424.1362 18048.1883 0.0000 0.0000 34224.7851 -149317.5716 298.8936 -183542.3567 -149217.4103 299.4179 253.2158 284.9940 556367.8897 -2.1075 -2.0706 PRESSURE: 3816600 80.5053 84.4826 112.145 84.4825 90.0816 -41.8464 112.145 -41.8458 -8.16779 GPRESSURE: 3816600 105.426 42.5551 76.4824 112.702 92.588 -15.47 169.226 -78.1552 70.0218 PRESSAVG: 3816600 56.9167 -33.7509 16.385 -33.7509 -14.5484 88.5923 16.3849 88.5923 -12.4489 GPRESSAVG: 3816600 57.0084 -36.0369 15.5333 -31.6971 -16.033 88.6883 17.0393 86.6859 -10.7682 TIMING: 3816600 CPU: 11056.6, 0.00287066/step Wall: 11056.6, 0.00287066/step, 0.943649 hours remaining, 212.531250 MB of memory in use. ENERGY: 3816600 714.3146 2105.3860 1968.6273 111.3220 -206486.0743 17981.2812 0.0000 0.0000 34176.2104 -149428.9328 298.4693 -183605.1432 -149328.6992 298.8550 54.1397 89.3454 556881.5496 9.9731 10.0691 PRESSURE: 3816800 -56.6257 85.4826 8.36037 85.482 121.993 7.90078 8.36021 7.90108 102.116 GPRESSURE: 3816800 -36.6602 156.318 -4.2762 45.3952 141.025 6.26812 -11.88 49.8492 163.637 PRESSAVG: 3816800 53.4012 -33.9518 15.1713 -33.9519 -29.8963 61.1722 15.1713 61.1721 -22.0972 GPRESSAVG: 3816800 54.4275 -32.1315 14.7619 -35.6221 -28.9769 59.9088 14.3958 63.0933 -23.8989 TIMING: 3816800 CPU: 11057.2, 0.00287121/step Wall: 11057.2, 0.00287121/step, 0.94367 hours remaining, 212.531250 MB of memory in use. ENERGY: 3816800 751.2032 2139.8963 1938.7181 120.8994 -206333.7039 17888.9034 0.0000 0.0000 34161.7532 -149332.3302 298.3431 -183494.0834 -149229.9805 298.6673 55.8280 89.3340 557982.0211 0.4692 0.5172 PRESSURE: 3817000 -57.7084 2.96863 106.502 2.96902 12.8271 -54.3738 106.503 -54.373 4.25296 GPRESSURE: 3817000 -47.1599 -15.7943 66.4592 37.562 76.0627 -106.173 146.098 -29.8715 24.6808 PRESSAVG: 3817000 -42.9773 -49.7237 44.6199 -49.7238 8.68464 2.55734 44.6199 2.55729 52.0581 GPRESSAVG: 3817000 -44.7454 -51.3937 44.4153 -48.94 8.56069 3.91428 46.14 1.249 54.2212 TIMING: 3817000 CPU: 11057.7, 0.00287569/step Wall: 11057.7, 0.00287569/step, 0.944985 hours remaining, 212.531250 MB of memory in use. ENERGY: 3817000 717.7999 2092.7467 1954.3225 110.8770 -206497.8148 17796.7192 0.0000 0.0000 34417.0753 -149408.2742 300.5729 -183825.3495 -149306.4808 299.0893 -13.5428 17.8612 558230.4946 5.9218 6.0122 PRESSURE: 3817200 -1.26882 13.2696 -64.3178 13.2698 -191.687 59.0639 -64.3166 59.0634 -69.3348 GPRESSURE: 3817200 45.1799 0.970008 -87.1856 12.2298 -193.083 81.8106 -131.123 -43.007 -20.9083 PRESSAVG: 3817200 -76.4389 12.0443 48.6226 12.0444 20.3326 -43.2241 48.6225 -43.2241 81.4148 GPRESSAVG: 3817200 -75.1085 14.8248 48.8001 10.0865 19.69 -42.6084 47.8943 -43.2547 80.6982 TIMING: 3817200 CPU: 11058.3, 0.00287563/step Wall: 11058.3, 0.00287563/step, 0.944803 hours remaining, 212.531250 MB of memory in use. ENERGY: 3817200 777.0439 2098.2441 1915.8940 118.1023 -206446.6002 17793.0929 0.0000 0.0000 34383.6021 -149360.6209 300.2805 -183744.2230 -149261.9210 299.0070 -87.4303 -56.2704 557226.4923 8.4362 8.4266 PRESSURE: 3817400 -70.6989 -72.5382 -9.39212 -72.5392 -249.318 23.1807 -9.39218 23.1814 153.122 GPRESSURE: 3817400 2.64447 -85.6538 -36.5186 -78.4269 -239.316 -2.55417 9.62653 82.3396 183.448 PRESSAVG: 3817400 42.1803 -8.93734 -47.8573 -8.93738 7.05442 32.0151 -47.8573 32.015 -20.8975 GPRESSAVG: 3817400 41.9583 -9.6491 -48.0976 -7.64984 8.61616 30.008 -49.2809 35.0216 -21.6394 TIMING: 3817400 CPU: 11058.9, 0.00286728/step Wall: 11058.9, 0.00286728/step, 0.941902 hours remaining, 212.531250 MB of memory in use. ENERGY: 3817400 764.9905 2015.5500 1953.6056 118.4878 -205874.6915 17480.3193 0.0000 0.0000 34395.7688 -149145.9695 300.3868 -183541.7383 -149043.6261 299.7007 -55.6318 -17.7411 557105.2470 9.4457 9.6450 PRESSURE: 3817600 -198.103 97.5988 113.639 97.5983 8.78507 3.56661 113.639 3.56704 44.8808 GPRESSURE: 3817600 -171.399 28.8263 120.81 41.107 103.293 42.0727 104.784 43.474 32.1141 PRESSAVG: 3817600 -34.204 -32.988 -4.307 -32.988 31.8618 -26.8985 -4.307 -26.8987 -8.0067 GPRESSAVG: 3817600 -33.8765 -33.4686 -3.40632 -32.9003 31.0011 -25.3464 -5.30919 -30.1721 -7.39847 TIMING: 3817600 CPU: 11059.5, 0.0028671/step Wall: 11059.5, 0.0028671/step, 0.941684 hours remaining, 212.531250 MB of memory in use. ENERGY: 3817600 777.3421 2064.4913 1936.2173 116.8897 -206452.2056 17782.2014 0.0000 0.0000 34480.8764 -149294.1875 301.1301 -183775.0639 -149188.7624 299.5150 -48.1456 -11.9973 557165.0536 -3.4496 -3.4246 PRESSURE: 3817800 -75.6369 126.778 12.4545 126.779 19.9851 -25.3385 12.4547 -25.3382 -155.559 GPRESSURE: 3817800 -23.9094 101.852 55.7023 105.544 3.35212 8.47367 40.0117 -58.1721 -102.108 PRESSAVG: 3817800 -9.41129 -50.664 31.2417 -50.6639 12.1322 47.4851 31.2417 47.4851 -7.74622 GPRESSAVG: 3817800 -9.0349 -52.3817 32.1139 -50.4892 11.7295 47.8958 32.3919 47.8935 -8.16214 TIMING: 3817800 CPU: 11060, 0.00288758/step Wall: 11060, 0.00288758/step, 0.948248 hours remaining, 212.531250 MB of memory in use. ENERGY: 3817800 744.4720 2143.1294 1937.5835 113.8758 -206168.2023 17754.3355 0.0000 0.0000 34134.7315 -149340.0746 298.1071 -183474.8061 -149248.3005 299.2614 -70.4037 -40.8885 556222.4217 -1.6751 -1.8225 PRESSURE: 3818000 -44.4675 -64.2516 121.161 -64.2527 -344.719 -19.8862 121.162 -19.8874 -182.427 GPRESSURE: 3818000 -19.3267 -86.7555 70.0378 -84.0439 -320.633 -116.261 155.285 36.5119 -133.62 PRESSAVG: 3818000 26.9148 -61.5032 -14.1873 -61.5032 9.25926 -37.8032 -14.1873 -37.8031 -28.4249 GPRESSAVG: 3818000 26.7092 -60.4562 -14.7203 -61.9075 9.00911 -37.961 -13.1543 -37.0189 -28.1377 TIMING: 3818000 CPU: 11060.6, 0.00287045/step Wall: 11060.6, 0.00287045/step, 0.942464 hours remaining, 212.531250 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: 3818000 738.9690 2088.7973 1924.5369 114.7261 -205722.6144 17469.1526 0.0000 0.0000 34064.0720 -149322.3604 297.4900 -183386.4325 -149227.7250 299.1152 -190.5378 -157.8599 556932.2512 2.5831 2.5269 PRESSURE: 3818200 71.8106 -123.523 54.0717 -123.523 -36.7472 115.082 54.0735 115.082 77.7415 GPRESSURE: 3818200 159.27 -131.478 107.582 -138.333 -39.7935 170.44 -28.1755 67.3709 98.1854 PRESSAVG: 3818200 33.7744 -70.606 -7.08067 -70.606 -71.241 10.3613 -7.0807 10.3613 53.0468 GPRESSAVG: 3818200 34.0388 -70.5937 -7.16945 -71.8682 -71.9806 10.3272 -9.34513 9.71291 52.8631 TIMING: 3818200 CPU: 11061.2, 0.00287396/step Wall: 11061.2, 0.00287396/step, 0.943459 hours remaining, 212.531250 MB of memory in use. ENERGY: 3818200 755.3068 2085.2131 1932.4540 106.3161 -206093.1255 17738.9778 0.0000 0.0000 34123.3840 -149351.4737 298.0080 -183474.8577 -149257.2564 298.5041 37.6016 72.5539 556688.0348 5.1934 4.9738 PRESSURE: 3818400 -93.2764 -0.776547 51.0364 -0.775475 -62.2909 256.315 51.0364 256.316 58.8069 GPRESSURE: 3818400 -87.6839 -53.8263 43.9672 0.578011 -33.3035 283.32 70.2378 253.848 128.568 PRESSAVG: 3818400 47.4892 -10.0579 -15.2985 -10.0578 -62.5786 59.1523 -15.2985 59.1523 7.6964 GPRESSAVG: 3818400 48.7312 -11.0416 -16.2551 -10.1363 -61.6924 57.2261 -13.3253 59.4876 6.08007 TIMING: 3818400 CPU: 11061.8, 0.00286631/step Wall: 11061.8, 0.00286631/step, 0.940787 hours remaining, 212.531250 MB of memory in use. ENERGY: 3818400 755.5690 2140.1895 1925.1288 116.9684 -206443.0449 17928.5566 0.0000 0.0000 34194.1653 -149382.4674 298.6261 -183576.6326 -149293.3611 298.5172 -32.2535 2.5267 558579.5406 -2.4643 -2.2937 PRESSURE: 3818600 -143.024 34.4531 -88.81 34.4514 -247.437 92.905 -88.8108 92.9054 -14.1676 GPRESSURE: 3818600 -125.76 100.924 -135.763 -19.2569 -146.872 108.403 -18.9896 93.7731 -32.6954 PRESSAVG: 3818600 31.2822 -4.66476 22.6719 -4.66477 -37.1458 32.0641 22.6719 32.064 10.2967 GPRESSAVG: 3818600 30.9094 -2.51277 23.5871 -5.47027 -36.5417 35.8914 23.0165 31.3165 10.156 TIMING: 3818600 CPU: 11062.3, 0.00286499/step Wall: 11062.3, 0.00286499/step, 0.940195 hours remaining, 212.531250 MB of memory in use. ENERGY: 3818600 755.3401 2060.3480 1930.9788 113.8183 -205877.7559 17592.1670 0.0000 0.0000 34210.7446 -149214.3592 298.7709 -183425.1038 -149118.1025 299.7199 -134.8764 -101.7757 557690.2806 1.4777 1.5079 PRESSURE: 3818800 66.6002 132.095 -11.4169 132.096 284.171 29.5179 -11.4172 29.5184 -213.837 GPRESSURE: 3818800 77.6051 147.791 68.1803 156.268 306.696 53.3429 117.952 45.5584 -155.787 PRESSAVG: 3818800 7.40461 31.7094 -20.916 31.7095 37.8543 67.0539 -20.916 67.0538 -28.0785 GPRESSAVG: 3818800 8.70949 28.5391 -20.6308 35.4845 36.3193 66.608 -19.2354 67.8853 -28.0171 TIMING: 3818800 CPU: 11062.9, 0.00289063/step Wall: 11062.9, 0.00289063/step, 0.948448 hours remaining, 212.531250 MB of memory in use. ENERGY: 3818800 715.5859 2100.1167 1948.4433 105.6297 -206194.5941 17923.5065 0.0000 0.0000 34206.4673 -149194.8447 298.7336 -183401.3120 -149097.8078 300.0202 45.6447 76.1715 557062.6018 5.7268 5.6706 PRESSURE: 3819000 -14.2654 -18.3778 -234.29 -18.3772 50.6752 79.4027 -234.29 79.4033 91.2201 GPRESSURE: 3819000 41.5329 -20.7528 -243.927 21.2093 62.2741 63.0928 -271.363 136.859 121.445 PRESSAVG: 3819000 21.5654 -24.1193 -44.8138 -24.1193 -10.9505 103.204 -44.8138 103.204 -44.1739 GPRESSAVG: 3819000 19.7628 -21.8548 -46.1948 -26.6924 -9.67969 102.572 -46.9122 105.287 -44.1156 TIMING: 3819000 CPU: 11063.5, 0.00287351/step Wall: 11063.5, 0.00287351/step, 0.942671 hours remaining, 212.531250 MB of memory in use. ENERGY: 3819000 745.2845 2066.3757 1936.0865 102.3429 -206253.3608 17699.9126 0.0000 0.0000 34522.0569 -149181.3016 301.4897 -183703.3585 -149084.5847 300.0123 42.5433 75.0842 555783.7777 -11.1863 -11.3441 PRESSURE: 3819200 -224.588 69.963 -193.049 69.9633 -408.937 66.8723 -193.048 66.8724 -271.767 GPRESSURE: 3819200 -238.266 91.7829 -187.449 84.1741 -305.884 96.0522 -215.293 70.7512 -267.297 PRESSAVG: 3819200 12.3594 21.5745 -27.2979 21.5746 -28.0723 17.3142 -27.2979 17.3142 70.1485 GPRESSAVG: 3819200 12.7351 19.5107 -28.6347 22.1864 -28.0594 16.3098 -24.2878 18.2681 69.2817 TIMING: 3819200 CPU: 11064.1, 0.00285198/step Wall: 11064.1, 0.00285198/step, 0.93545 hours remaining, 212.531250 MB of memory in use. ENERGY: 3819200 752.2234 2079.3044 1958.3528 109.0022 -205385.0459 17082.8859 0.0000 0.0000 34313.8449 -149089.4324 299.6713 -183403.2773 -148994.9173 299.4404 -301.7642 -270.4827 558363.8735 18.1452 17.9858 PRESSURE: 3819400 -164.963 -154.589 -8.8065 -154.59 -19.1387 69.4744 -8.80659 69.4739 31.2009 GPRESSURE: 3819400 -107.861 -151.052 30.6063 -183.912 38.0862 91.1025 51.1552 48.31 10.8278 PRESSAVG: 3819400 14.2661 -18.3126 -32.3838 -18.3125 -50.3574 -60.1818 -32.3837 -60.1818 44.1601 GPRESSAVG: 3819400 13.609 -16.8366 -29.8042 -18.2804 -49.6709 -58.5521 -35.5425 -62.6594 43.8745 TIMING: 3819400 CPU: 11064.6, 0.00287007/step Wall: 11064.6, 0.00287006/step, 0.941222 hours remaining, 212.531250 MB of memory in use. ENERGY: 3819400 726.4474 2030.4249 1917.7129 109.5362 -205822.1538 17663.0892 0.0000 0.0000 34284.1156 -149090.8277 299.4117 -183374.9434 -148998.1735 299.1054 -50.9671 -19.6491 557766.2836 2.6896 2.6042 PRESSURE: 3819600 129.738 104.323 -33.4232 104.323 43.47 7.16951 -33.4232 7.16983 111.642 GPRESSURE: 3819600 115.25 113.366 -61.5446 96.4023 104.374 -51.9041 -17.701 -0.233315 166.207 PRESSAVG: 3819600 -3.01776 20.8972 -7.12671 20.8971 18.8202 16.033 -7.1266 16.0331 -0.980795 GPRESSAVG: 3819600 -2.96476 19.9108 -9.04463 20.4724 18.0859 15.3533 -7.88239 18.0307 -0.0500597 TIMING: 3819600 CPU: 11065.2, 0.00287862/step Wall: 11065.2, 0.00287862/step, 0.943867 hours remaining, 212.531250 MB of memory in use. ENERGY: 3819600 721.0618 2036.5532 1935.7737 103.1128 -206140.7915 17966.3404 0.0000 0.0000 34325.4902 -149052.4593 299.7730 -183377.9495 -148958.4170 299.2183 94.9500 128.6106 557362.1866 4.9405 5.0237 PRESSURE: 3819800 -94.8595 191.972 -251.925 191.971 -264.368 -125.782 -251.924 -125.782 -178.067 GPRESSURE: 3819800 -54.2512 285.519 -291.033 94.857 -224.091 -136.153 -300.906 -97.1725 -146.928 PRESSAVG: 3819800 10.7164 12.8907 49.216 12.8907 -0.0178179 17.8788 49.216 17.8789 -20.3602 GPRESSAVG: 3819800 10.7809 14.1866 49.1202 12.9341 -0.528161 19.7369 49.7089 16.76 -19.884 TIMING: 3819800 CPU: 11065.8, 0.00291823/step Wall: 11065.8, 0.00291823/step, 0.956694 hours remaining, 212.531250 MB of memory in use. ENERGY: 3819800 728.7550 2062.7973 1905.6740 114.4703 -205678.0924 17484.1237 0.0000 0.0000 34295.8974 -149086.3747 299.5146 -183382.2721 -148985.1625 299.3736 -179.0983 -141.7568 558080.2965 -3.2205 -3.2104 PRESSURE: 3820000 293.024 97.4375 59.7984 97.4389 44.6777 102.099 59.7971 102.099 141.869 GPRESSURE: 3820000 343.908 35.5793 32.6327 59.8376 66.0538 135.83 27.8207 113.933 175.386 PRESSAVG: 3820000 0.629594 -3.89145 3.25815 -3.89153 20.6769 18.9497 3.2581 18.9498 7.65075 GPRESSAVG: 3820000 0.528033 -5.0072 5.83692 -1.35707 21.7167 15.9549 1.30159 21.2071 6.80834 TIMING: 3820000 CPU: 11066.4, 0.0028859/step Wall: 11066.4, 0.0028859/step, 0.945933 hours remaining, 212.531250 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: 3820000 767.9910 2101.6111 1917.8498 99.1123 -206706.4128 18255.5682 0.0000 0.0000 34421.1981 -149143.0823 300.6089 -183564.2805 -149048.0982 299.3027 159.8569 195.1159 556409.0120 9.6524 9.6844 PRESSURE: 3820200 136.353 113.513 -147.653 113.511 84.1762 -62.5762 -147.653 -62.5764 239.657 GPRESSURE: 3820200 152.43 43.9608 -113.37 126.625 153.753 -14.581 -157.862 -29.3214 239.837 PRESSAVG: 3820200 -34.2526 45.9133 -5.64846 45.9133 59.161 -43.0823 -5.64846 -43.0821 -17.9893 GPRESSAVG: 3820200 -33.9888 44.9335 -6.27267 46.9345 58.7922 -39.6461 -3.76933 -45.9755 -17.788 TIMING: 3820200 CPU: 11066.9, 0.00286723/step Wall: 11066.9, 0.00286722/step, 0.939653 hours remaining, 212.531250 MB of memory in use. ENERGY: 3820200 746.4425 2079.9215 1913.3861 117.5234 -206563.9370 18272.0328 0.0000 0.0000 34284.6433 -149149.9875 299.4163 -183434.6308 -149052.9552 298.9615 153.3955 182.0068 557956.8657 2.3064 2.3385 LDB: ============= START OF LOAD BALANCING ============== 11070.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11070.3 LDB: =============== DONE WITH MIGRATION ================ 11070.3 LDB: ============= START OF LOAD BALANCING ============== 11070.6 LDB: Largest compute 4792 load 0.023334 is 19.8% of average load 0.118078 LDB: Average compute 0.001737 is 1.5% of average load 0.118078 LDB: TIME 11070.6 LOAD: AVG 0.118078 MAX 0.178727 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.184 MB LDB: TIME 11070.6 LOAD: AVG 0.118078 MAX 0.178727 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: TIME 11070.6 LOAD: AVG 0.118078 MAX 0.178727 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: ============== END OF LOAD BALANCING =============== 11070.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11070.6 PRESSURE: 3820400 104.421 71.4788 -32.8656 71.4768 -10.5466 72.5833 -32.8656 72.582 307.488 GPRESSURE: 3820400 136.068 12.8523 -68.3527 10.4388 26.4914 54.0522 46.6174 61.9803 327.225 PRESSAVG: 3820400 -20.1273 -19.7454 18.1548 -19.7453 57.3546 -22.8095 18.1548 -22.8094 1.25011 GPRESSAVG: 3820400 -20.4666 -19.3126 16.7485 -22.5082 56.4356 -25.6272 17.8185 -20.1128 2.29687 TIMING: 3820400 CPU: 11067.5, 0.00293582/step Wall: 11067.5, 0.00293582/step, 0.96197 hours remaining, 211.750000 MB of memory in use. ENERGY: 3820400 704.1492 2089.4976 1957.0471 121.2716 -206183.1370 17793.0994 0.0000 0.0000 34366.0751 -149151.9970 300.1275 -183518.0721 -149049.1034 299.3606 133.7873 163.2615 558165.7650 12.8258 12.7553 PRESSURE: 3820600 -368.869 84.0526 4.35097 84.0535 -151.255 -148.247 4.35148 -148.248 -140.931 GPRESSURE: 3820600 -281.844 14.3743 28.2521 146.688 -150.764 -172.475 -71.0784 -106.351 -126.49 PRESSAVG: 3820600 28.427 21.3948 -5.82135 21.3948 -26.0977 -14.9301 -5.8213 -14.93 23.4988 GPRESSAVG: 3820600 27.6045 22.2466 -4.79125 21.4261 -26.3644 -13.3905 -6.18728 -15.7481 24.6276 TIMING: 3820600 CPU: 11068.1, 0.00286588/step Wall: 11068.1, 0.00286588/step, 0.938894 hours remaining, 211.750000 MB of memory in use. ENERGY: 3820600 759.0316 2094.4055 1978.9074 124.1557 -205658.5673 17471.9935 0.0000 0.0000 34088.2975 -149141.7760 297.7016 -183230.0736 -149049.2323 298.8499 -220.3516 -186.3659 558913.2122 8.6094 8.6225 PRESSURE: 3820800 -38.7551 148.51 136.385 148.51 -192.928 76.981 136.384 76.9794 89.6378 GPRESSURE: 3820800 -37.4787 146.133 80.5581 123.163 -140.686 50.884 122.54 49.332 132.466 PRESSAVG: 3820800 -9.7744 12.8862 43.0151 12.8863 -8.2297 12.7184 43.0151 12.7184 48.1399 GPRESSAVG: 3820800 -9.22158 11.4827 42.3757 13.9575 -7.05819 11.6835 42.1975 13.5603 46.3823 TIMING: 3820800 CPU: 11068.7, 0.00288885/step Wall: 11068.7, 0.00288885/step, 0.946258 hours remaining, 211.750000 MB of memory in use. ENERGY: 3820800 747.0062 2089.9898 1974.2696 111.8082 -206203.1008 17806.8869 0.0000 0.0000 34291.9544 -149181.1857 299.4802 -183473.1401 -149085.6021 299.4657 -47.3485 -15.2331 557432.1865 10.0453 10.0342 PRESSURE: 3821000 47.3178 67.4295 118.092 67.4286 -125.418 71.3342 118.092 71.3312 58.1938 GPRESSURE: 3821000 120.999 79.6347 86.8673 127.055 -170.553 60.8227 122.647 102.906 134.298 PRESSAVG: 3821000 0.372662 4.12725 17.4892 4.12718 -31.6273 58.6828 17.4892 58.683 94.2512 GPRESSAVG: 3821000 -0.899861 5.94516 18.169 2.03945 -30.757 58.5164 18.0605 57.1024 94.4623 TIMING: 3821000 CPU: 11069.3, 0.0028841/step Wall: 11069.3, 0.0028841/step, 0.944543 hours remaining, 211.750000 MB of memory in use. ENERGY: 3821000 740.9456 2092.4032 1960.6465 120.9268 -206306.8271 17907.1054 0.0000 0.0000 34186.4330 -149298.3666 298.5586 -183484.7996 -149208.4126 299.7726 -6.6354 28.2482 557421.6054 20.9989 20.9352 PRESSURE: 3821200 -97.7932 -95.9622 66.2753 -95.9641 38.4113 66.7405 66.2759 66.7415 -65.4082 GPRESSURE: 3821200 -38.8329 -134.896 67.149 -78.0712 40.7987 129.177 6.99239 72.7609 -32.3378 PRESSAVG: 3821200 -42.0231 7.41324 -39.0084 7.41319 61.9206 10.1885 -39.0084 10.1885 -6.14027 GPRESSAVG: 3821200 -40.8163 7.30776 -39.3897 8.60073 60.3376 9.72933 -38.2954 11.6295 -6.37211 TIMING: 3821200 CPU: 11069.8, 0.00288794/step Wall: 11069.8, 0.00288794/step, 0.945639 hours remaining, 211.750000 MB of memory in use. ENERGY: 3821200 731.6249 2102.8761 1903.8065 104.3056 -206539.3779 17966.8299 0.0000 0.0000 34405.8849 -149324.0500 300.4752 -183729.9349 -149225.0461 299.1174 -41.5967 -10.1240 557669.3199 4.5858 4.3831 PRESSURE: 3821400 -209.264 120.548 97.4136 120.547 -65.0028 -136.576 97.4134 -136.574 -243.136 GPRESSURE: 3821400 -200.897 182.7 92.5661 165.811 -22.5855 -75.8379 13.0851 -210.385 -197.029 PRESSAVG: 3821400 -79.5774 -19.0559 39.9312 -19.0559 76.0124 74.1516 39.9312 74.1516 -4.05659 GPRESSAVG: 3821400 -80.4364 -18.081 40.9551 -19.323 75.4974 75.1245 40.3112 72.6851 -2.55121 TIMING: 3821400 CPU: 11070.4, 0.00286256/step Wall: 11070.4, 0.00286256/step, 0.937172 hours remaining, 211.750000 MB of memory in use. ENERGY: 3821400 755.8565 2032.4292 1949.9437 110.3971 -205939.1936 17526.8863 0.0000 0.0000 34236.8861 -149326.7946 298.9992 -183563.6807 -149229.1090 298.9452 -172.4675 -140.1704 556666.3135 -2.5405 -2.4967 PRESSURE: 3821600 -71.4226 -46.5386 -82.8934 -46.5383 -161.852 69.9686 -82.8933 69.9689 210.006 GPRESSURE: 3821600 -6.94166 -76.4936 -129.572 32.6482 -126.391 57.6898 -96.7299 36.1181 217.419 PRESSAVG: 3821600 -65.7074 -11.39 -26.5085 -11.3899 63.6405 38.1098 -26.5085 38.1097 -7.96659 GPRESSAVG: 3821600 -64.8514 -10.2842 -28.3867 -10.2231 63.2288 37.3903 -28.4039 38.3215 -8.96938 TIMING: 3821600 CPU: 11071, 0.00288497/step Wall: 11071, 0.00288497/step, 0.944346 hours remaining, 211.750000 MB of memory in use. ENERGY: 3821600 780.7652 2071.8918 1942.2307 120.4210 -206416.3193 17929.5113 0.0000 0.0000 34337.1196 -149234.3797 299.8746 -183571.4993 -149144.4345 299.0850 -7.7562 28.0287 556630.6741 -3.3445 -3.5307 PRESSURE: 3821800 -386.911 -9.21864 -28.8778 -9.21863 -401.661 -15.1655 -28.878 -15.1653 -44.9065 GPRESSURE: 3821800 -393.959 22.0158 1.22577 -19.8197 -334.144 -49.4715 -39.5095 22.4352 -4.50562 PRESSAVG: 3821800 25.4225 22.8463 19.9153 22.8464 -55.5113 40.5602 19.9153 40.5601 47.7784 GPRESSAVG: 3821800 25.5537 22.3845 23.0174 21.4495 -55.8814 40.0585 20.2342 41.3018 47.9555 TIMING: 3821800 CPU: 11071.6, 0.00286866/step Wall: 11071.6, 0.00286866/step, 0.938848 hours remaining, 211.750000 MB of memory in use. ENERGY: 3821800 745.2612 2104.6967 1916.2888 118.1173 -205471.3980 17292.9961 0.0000 0.0000 34053.2711 -149240.7669 297.3957 -183294.0379 -149136.8322 299.5538 -277.8260 -244.2029 556551.5990 5.8965 5.8759 PRESSURE: 3822000 -258.641 -48.8877 -50.548 -48.8877 -410.633 48.7782 -50.5458 48.7779 -309.43 GPRESSURE: 3822000 -233.07 2.07464 -44.5422 -102.422 -381.004 109.959 -52.6142 -37.9522 -267.448 PRESSAVG: 3822000 -29.3624 -7.72258 8.61738 -7.7226 -38.0697 -0.0790899 8.61737 -0.0790177 26.3806 GPRESSAVG: 3822000 -29.9533 -10.1815 6.57001 -7.04464 -38.5366 1.03023 8.92945 -0.80069 26.4821 TIMING: 3822000 CPU: 11072.1, 0.00287149/step Wall: 11072.1, 0.00287149/step, 0.939614 hours remaining, 211.750000 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: 3822000 765.9187 2064.6135 1938.5925 110.1233 -205854.0777 17448.4409 0.0000 0.0000 34269.1969 -149257.1919 299.2814 -183526.3888 -149172.0843 299.0852 -326.2346 -293.8406 558595.4416 -13.6838 -14.0026 PRESSURE: 3822200 -128.125 86.1454 -37.7209 86.1457 -4.26722 106.198 -37.7206 106.199 -183.981 GPRESSURE: 3822200 -132.517 74.9404 -20.0326 70.0131 46.5532 97.0444 -41.2578 80.3044 -122.273 PRESSAVG: 3822200 5.78123 -23.4283 -92.0373 -23.4283 -6.39646 -20.8595 -92.0373 -20.8595 27.6598 GPRESSAVG: 3822200 5.83534 -21.6779 -93.3849 -24.1459 -6.10529 -20.9048 -90.5593 -19.6748 26.9907 TIMING: 3822200 CPU: 11072.7, 0.00283997/step Wall: 11072.7, 0.00283997/step, 0.929144 hours remaining, 211.750000 MB of memory in use. ENERGY: 3822200 739.6392 2075.0297 1920.5443 106.0207 -206164.5815 17707.8505 0.0000 0.0000 34115.9756 -149499.5215 297.9433 -183615.4972 -149391.8530 298.3119 -105.4577 -69.4125 557083.8328 9.0149 8.9069 PRESSURE: 3822400 -89.4942 -234.69 20.2623 -234.689 -129.41 102.836 20.2626 102.837 -226.463 GPRESSURE: 3822400 -39.8862 -217.143 19.038 -217.021 -56.9536 179.706 46.3289 74.241 -258.069 PRESSAVG: 3822400 -35.0344 38.4533 10.114 38.4533 -14.9592 10.8982 10.1141 10.8983 20.3953 GPRESSAVG: 3822400 -35.031 38.7899 11.7683 38.7253 -15.0714 10.0422 8.08858 9.88063 20.324 TIMING: 3822400 CPU: 11073.3, 0.00287087/step Wall: 11073.3, 0.00287087/step, 0.939093 hours remaining, 211.750000 MB of memory in use. ENERGY: 3822400 748.1364 2103.1477 1926.4742 125.2511 -205979.0044 17469.6942 0.0000 0.0000 34240.4123 -149365.8885 299.0300 -183606.3007 -149273.9722 298.1086 -148.4558 -118.3031 558251.0293 -9.8661 -9.9261 PRESSURE: 3822600 79.5658 -29.731 -50.5159 -29.7313 -150.882 -10.8321 -50.5163 -10.8332 268.009 GPRESSURE: 3822600 66.3312 -99.3213 -35.2033 22.5377 -123.82 -14.9409 -41.6702 -33.8631 350.457 PRESSAVG: 3822600 11.3452 -15.7218 -14.3954 -15.7218 -22.9912 10.9668 -14.3955 10.9667 67.6837 GPRESSAVG: 3822600 11.7916 -18.7394 -13.7435 -14.0619 -23.2146 11.2489 -13.0017 10.4841 68.1243 TIMING: 3822600 CPU: 11073.8, 0.00287691/step Wall: 11073.8, 0.00287691/step, 0.940909 hours remaining, 211.750000 MB of memory in use. ENERGY: 3822600 755.9785 2091.8695 1947.6688 127.2132 -206322.6722 17904.5526 0.0000 0.0000 34228.9354 -149266.4542 298.9298 -183495.3896 -149171.7506 299.4623 65.5644 97.6561 556302.0533 18.6792 18.9005 PRESSURE: 3822800 -128.988 118.025 -22.6683 118.025 160.731 237.614 -22.6692 237.614 151.408 GPRESSURE: 3822800 -106.526 93.4824 52.2672 92.5669 204.325 255.009 -89.6266 288.314 198.858 PRESSAVG: 3822800 -39.8583 22.3626 -25.0743 22.3625 -30.6538 -25.1471 -25.0743 -25.1471 77.5835 GPRESSAVG: 3822800 -38.8437 23.4552 -28.294 22.2109 -30.8097 -24.3435 -25.6766 -25.807 76.6394 TIMING: 3822800 CPU: 11074.4, 0.00287653/step Wall: 11074.4, 0.00287653/step, 0.940625 hours remaining, 211.750000 MB of memory in use. ENERGY: 3822800 772.0803 2020.9003 1944.3882 108.1458 -206203.4382 17952.2131 0.0000 0.0000 34262.3372 -149143.3733 299.2215 -183405.7105 -149040.3257 299.3799 61.0504 98.8856 556728.1572 2.3572 2.3287 PRESSURE: 3823000 237.567 3.43864 -95.0945 3.43869 196.241 -104.826 -95.0953 -104.827 -89.3303 GPRESSURE: 3823000 247.156 -65.3039 -77.2537 -20.4862 191.47 -117.04 -92.3249 -140.027 -11.083 PRESSAVG: 3823000 5.07311 -46.2892 -49.2721 -46.2892 21.0642 81.0718 -49.2721 81.0718 0.815948 GPRESSAVG: 3823000 4.46173 -47.0778 -47.864 -46.2508 21.3259 80.4479 -49.697 82.363 1.64937 TIMING: 3823000 CPU: 11075, 0.00287877/step Wall: 11075, 0.00287877/step, 0.941197 hours remaining, 211.750000 MB of memory in use. ENERGY: 3823000 714.0854 2105.3964 1957.6208 110.4678 -206246.9543 17859.4273 0.0000 0.0000 34323.1629 -149176.7936 299.7527 -183499.9566 -149081.7038 299.0151 114.8257 142.5141 556340.2220 8.9844 9.1457 PRESSURE: 3823200 -118.866 -89.4319 -114.799 -89.4314 108.489 -90.4932 -114.797 -90.493 247.29 GPRESSURE: 3823200 -46.0613 15.9288 2.38088 -142.784 133.632 -39.3973 -133.902 -72.575 240.211 PRESSAVG: 3823200 3.20672 7.34148 -31.239 7.34136 -63.4572 6.67281 -31.239 6.6728 18.1177 GPRESSAVG: 3823200 3.30863 7.20858 -30.6991 7.98765 -63.8379 6.99712 -30.3612 6.28307 18.1919 TIMING: 3823200 CPU: 11075.6, 0.00289589/step Wall: 11075.6, 0.00289589/step, 0.946635 hours remaining, 211.750000 MB of memory in use. ENERGY: 3823200 765.5393 2043.3112 1954.1858 109.2846 -206323.8457 17863.9466 0.0000 0.0000 34555.2256 -149032.3526 301.7794 -183587.5783 -148943.3508 299.7706 78.9710 109.2606 554945.9823 -14.0443 -14.1125 PRESSURE: 3823400 28.9277 157.866 -143.842 157.866 -142.163 56.544 -143.843 56.5442 -134.835 GPRESSURE: 3823400 40.4252 189.157 -133.004 84.3158 -102.433 41.8487 -128.433 55.7409 -95.178 PRESSAVG: 3823400 12.4307 11.5535 -13.1689 11.5537 48.4592 -21.4515 -13.1689 -21.4515 -34.9175 GPRESSAVG: 3823400 13.3931 12.7472 -13.3896 10.9183 48.4204 -20.8938 -15.0379 -22.402 -35.9933 TIMING: 3823400 CPU: 11076.2, 0.002884/step Wall: 11076.2, 0.002884/step, 0.942587 hours remaining, 211.750000 MB of memory in use. ENERGY: 3823400 751.5473 2112.9921 1952.0104 123.6730 -205688.0147 17302.4424 0.0000 0.0000 34443.2602 -149002.0893 300.8016 -183445.3495 -148902.4294 300.3834 -82.6903 -52.3954 556307.0535 8.6574 8.6067 PRESSURE: 3823600 -211.569 4.81881 -69.2095 4.81857 38.4222 -75.1065 -69.2087 -75.1061 -187.2 GPRESSURE: 3823600 -128.967 -43.1928 -64.4969 66.8121 1.87039 -74.0681 -75.0276 -71.2705 -153.636 PRESSAVG: 3823600 -24.2552 27.6459 32.7871 27.6459 13.6752 17.5721 32.7871 17.5721 -3.90889 GPRESSAVG: 3823600 -24.8481 27.3725 32.466 27.0153 12.8127 18.7374 34.0714 17.1182 -2.59081 TIMING: 3823600 CPU: 11076.7, 0.0028924/step Wall: 11076.7, 0.0028924/step, 0.945173 hours remaining, 211.750000 MB of memory in use. ENERGY: 3823600 758.5796 2104.7722 1941.3740 120.5489 -205777.3167 17506.4432 0.0000 0.0000 34359.7460 -148985.8527 300.0722 -183345.5988 -148887.1886 299.5835 -120.1156 -93.5775 557510.4926 -4.8297 -4.8754 PRESSURE: 3823800 102.159 49.4955 18.0949 49.4948 68.0267 -101.105 18.0946 -101.106 151.395 GPRESSURE: 3823800 164.272 3.11235 15.7723 51.1926 76.6841 -92.3789 61.4894 -158.329 172.742 PRESSAVG: 3823800 -41.7217 -29.1455 0.0740398 -29.1455 100.403 1.56729 0.0740588 1.56738 -30.4275 GPRESSAVG: 3823800 -40.4309 -28.533 0.846691 -30.4279 100.438 -0.716644 0.268314 2.1784 -31.6576 TIMING: 3823800 CPU: 11077.3, 0.0028892/step Wall: 11077.3, 0.0028892/step, 0.943966 hours remaining, 211.750000 MB of memory in use. ENERGY: 3823800 781.5906 2006.5995 1953.7504 108.3956 -206022.9724 17805.6858 0.0000 0.0000 34425.2020 -148941.7485 300.6439 -183366.9505 -148840.2556 300.1898 107.1935 137.8993 555832.3338 9.4178 9.4497 PRESSURE: 3824000 -450.927 -33.8166 -37.7469 -33.8166 110.865 95.1312 -37.7473 95.1303 -23.7655 GPRESSURE: 3824000 -416.621 -30.3381 50.3632 29.057 149.275 111.793 -58.9069 31.5596 6.01646 PRESSAVG: 3824000 7.63115 30.0587 41.1823 30.0587 -58.005 54.1078 41.1822 54.1078 65.5306 GPRESSAVG: 3824000 6.70668 29.4633 41.5383 32.381 -57.4524 54.2249 40.2884 53.4931 66.4215 TIMING: 3824000 CPU: 11077.9, 0.00289632/step Wall: 11077.9, 0.00289632/step, 0.946131 hours remaining, 211.750000 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: 3824000 699.9091 2109.9838 1938.5771 121.1415 -205689.1831 17473.6238 0.0000 0.0000 34264.5828 -149081.3650 299.2411 -183345.9478 -148976.9416 300.4577 -121.2759 -87.1099 557200.8655 5.0522 5.2253 PRESSURE: 3824200 208.815 -67.3151 166.956 -67.3152 101.751 -107.41 166.955 -107.412 90.687 GPRESSURE: 3824200 245.336 -75.4049 181.508 -50.56 108.716 -147.388 161.092 16.419 133.668 PRESSAVG: 3824200 44.667 -7.93995 -13.2544 -7.94007 3.2149 33.9786 -13.2543 33.9786 -41.3584 GPRESSAVG: 3824200 45.2985 -8.51223 -14.4296 -9.65325 3.51785 34.8733 -13.7673 34.4444 -41.943 TIMING: 3824200 CPU: 11078.5, 0.00286588/step Wall: 11078.5, 0.00286588/step, 0.936028 hours remaining, 211.750000 MB of memory in use. ENERGY: 3824200 757.9504 2059.9712 1933.1683 107.6742 -206527.6537 18110.0287 0.0000 0.0000 34511.5850 -149047.2759 301.3983 -183558.8609 -148949.7617 300.5677 133.7511 162.5733 557561.8538 2.1745 2.2911 LDB: ============= START OF LOAD BALANCING ============== 11081.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11081.8 LDB: =============== DONE WITH MIGRATION ================ 11081.8 LDB: ============= START OF LOAD BALANCING ============== 11082.1 LDB: Largest compute 4792 load 0.023273 is 19.7% of average load 0.118063 LDB: Average compute 0.001729 is 1.5% of average load 0.118063 LDB: TIME 11082.1 LOAD: AVG 0.118063 MAX 0.180062 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.668 MB LDB: TIME 11082.1 LOAD: AVG 0.118063 MAX 0.180062 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.668 MB LDB: TIME 11082.1 LOAD: AVG 0.118063 MAX 0.180062 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11082.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11082.1 PRESSURE: 3824400 333.543 91.9751 74.5062 91.9758 -124.311 -64.3267 74.5071 -64.3269 76.2159 GPRESSURE: 3824400 285.124 120.77 81.1766 7.79214 -26.2049 -47.0775 33.5942 -122.255 126.896 PRESSAVG: 3824400 70.105 -34.6826 20.718 -34.6825 -39.9751 57.9957 20.718 57.9957 -6.26928 GPRESSAVG: 3824400 69.5634 -35.2921 20.7637 -34.8708 -40.5678 57.1939 21.0991 59.1819 -5.47134 TIMING: 3824400 CPU: 11079, 0.00291497/step Wall: 11079, 0.00291498/step, 0.951901 hours remaining, 212.410156 MB of memory in use. ENERGY: 3824400 702.4905 2060.3254 1950.3968 116.2531 -205950.7392 17836.0913 0.0000 0.0000 34297.2872 -148987.8950 299.5267 -183285.1821 -148892.5070 299.8513 95.1495 128.6047 556557.5107 7.9535 7.8414 PRESSURE: 3824600 -215.111 -16.8021 35.4239 -16.8035 -368.173 -2.80686 35.4239 -2.8074 -361.735 GPRESSURE: 3824600 -138.451 4.12069 24.4095 10.8179 -385.45 -10.3021 72.7493 -26.15 -327.82 PRESSAVG: 3824600 51.0857 41.7396 -10.5854 41.7396 -69.6681 -17.4513 -10.5855 -17.4513 21.9254 GPRESSAVG: 3824600 50.985 41.7499 -8.18268 42.6088 -69.1133 -17.6003 -10.7115 -17.4292 21.4282 TIMING: 3824600 CPU: 11079.6, 0.00289484/step Wall: 11079.6, 0.00289484/step, 0.945164 hours remaining, 212.480469 MB of memory in use. ENERGY: 3824600 730.9989 2080.9885 1922.8568 108.5762 -205655.3858 17424.6426 0.0000 0.0000 34477.0565 -148910.2663 301.0967 -183387.3228 -148800.7423 299.4286 -315.0062 -283.9070 559270.1310 1.1143 1.1000 PRESSURE: 3824800 219.757 109.3 56.8378 109.3 308.912 27.782 56.8383 27.7812 357.886 GPRESSURE: 3824800 256.548 88.952 32.4646 106.43 319.577 91.9458 92.7728 101.789 379.025 PRESSAVG: 3824800 -0.857074 43.056 1.10952 43.0559 28.6984 7.03122 1.10953 7.03112 -43.7045 GPRESSAVG: 3824800 -0.442673 43.5117 -0.281144 43.3603 28.5952 7.90687 1.18567 5.49152 -44.376 TIMING: 3824800 CPU: 11080.2, 0.00287749/step Wall: 11080.2, 0.00287749/step, 0.939339 hours remaining, 212.480469 MB of memory in use. ENERGY: 3824800 718.6419 2124.5333 1947.3061 108.1807 -206464.7097 18158.3989 0.0000 0.0000 34284.0510 -149123.5979 299.4111 -183407.6489 -149024.2733 299.5765 295.5185 318.3832 556552.0021 -5.2877 -5.4078 PRESSURE: 3825000 -48.8017 23.4647 -50.0495 23.4664 25.2745 -24.3813 -50.0489 -24.3814 -122.601 GPRESSURE: 3825000 -41.7221 4.32326 -33.7601 94.9879 42.6624 -13.8301 -54.7021 -7.82584 -49.6466 PRESSAVG: 3825000 -44.572 31.6639 -1.78978 31.664 34.62 -3.00983 -1.78976 -3.00988 46.2433 GPRESSAVG: 3825000 -45.7431 31.6536 -2.06956 29.9287 33.8824 -2.99952 -1.4349 -2.49549 47.4918 TIMING: 3825000 CPU: 11080.8, 0.00289548/step Wall: 11080.8, 0.00289548/step, 0.945053 hours remaining, 212.480469 MB of memory in use. ENERGY: 3825000 754.5795 2097.0343 1959.3801 101.0233 -206709.0491 18024.2416 0.0000 0.0000 34453.7120 -149319.0782 300.8928 -183772.7902 -149221.8547 299.6999 -48.7094 -16.2355 557706.9366 12.0971 11.8770 PRESSURE: 3825200 -17.9929 152.19 -74.0227 152.19 -271.667 73.1061 -74.0224 73.1044 -51.2209 GPRESSURE: 3825200 4.55981 141.372 -42.4392 201.688 -178.476 41.9267 -133.932 107.113 -57.076 PRESSAVG: 3825200 -70.7129 48.089 -2.78222 48.089 55.5414 -24.243 -2.78222 -24.2431 -17.9301 GPRESSAVG: 3825200 -71.8813 48.1982 -2.59181 49.6 56.9617 -26.1603 -3.38959 -23.7903 -18.6655 TIMING: 3825200 CPU: 11081.4, 0.00289935/step Wall: 11081.4, 0.00289935/step, 0.946153 hours remaining, 212.480469 MB of memory in use. ENERGY: 3825200 738.0905 2058.4328 1930.9075 117.1002 -206042.0262 17604.8990 0.0000 0.0000 34158.9677 -149433.6284 298.3188 -183592.5961 -149344.7439 298.7597 -113.6270 -76.9975 557517.4355 -11.0339 -11.1950 PRESSURE: 3825400 -41.2182 54.9877 -41.7812 54.9867 -274.804 179.958 -41.7819 179.956 -59.6806 GPRESSURE: 3825400 22.6936 32.0215 -131.915 159.909 -268.432 212.217 -35.5922 120.236 -25.6203 PRESSAVG: 3825400 -19.4649 17.9303 2.8163 17.9304 16.8719 37.947 2.81631 37.947 -41.01 GPRESSAVG: 3825400 -17.9689 17.6988 3.84591 17.0663 15.3362 37.4729 3.10548 37.2442 -41.0089 TIMING: 3825400 CPU: 11081.9, 0.00287953/step Wall: 11081.9, 0.00287953/step, 0.939526 hours remaining, 212.480469 MB of memory in use. ENERGY: 3825400 784.6225 2048.5418 1955.1876 102.9644 -205923.3269 17666.6280 0.0000 0.0000 34035.8750 -149329.5076 297.2438 -183365.3826 -149232.9577 297.8607 -125.2344 -90.4528 557257.6716 -14.5343 -14.5472 PRESSURE: 3825600 86.3861 105.139 85.8939 105.14 72.7133 98.2247 85.8933 98.224 287.263 GPRESSURE: 3825600 121.392 78.7201 68.7718 134.97 105 76.4327 36.856 182.353 324.336 PRESSAVG: 3825600 -74.4888 44.0544 7.27572 44.0544 -48.3746 12.4788 7.27569 12.4787 107.882 GPRESSAVG: 3825600 -74.4039 44.2344 4.73776 43.2029 -48.3552 12.7843 8.2481 12.8126 107.716 TIMING: 3825600 CPU: 11082.5, 0.00288162/step Wall: 11082.5, 0.00288162/step, 0.940047 hours remaining, 212.480469 MB of memory in use. ENERGY: 3825600 740.6441 2064.3775 1941.1139 112.6199 -206505.7032 18148.1097 0.0000 0.0000 34224.2048 -149274.6331 298.8885 -183498.8379 -149172.3667 298.2325 148.7876 183.5760 556135.0337 -4.9936 -5.0143 PRESSURE: 3825800 -10.6876 71.3493 128.977 71.348 -57.5072 -97.1656 128.977 -97.1637 44.831 GPRESSURE: 3825800 54.5911 24.7248 149.861 96.405 -57.6844 -140.446 88.7016 -58.6537 71.2701 PRESSAVG: 3825800 28.053 -16.8124 -25.5708 -16.8123 1.7028 -3.19283 -25.5707 -3.19269 -13.0261 GPRESSAVG: 3825800 27.1591 -17.2227 -25.8224 -15.3156 2.67949 -3.76551 -26.5435 -1.42302 -13.2629 TIMING: 3825800 CPU: 11083.1, 0.00286504/step Wall: 11083.1, 0.00286504/step, 0.934481 hours remaining, 212.480469 MB of memory in use. ENERGY: 3825800 732.6148 2062.7366 1927.1914 120.2167 -205961.1517 17773.8756 0.0000 0.0000 34134.0977 -149210.4189 298.1016 -183344.5165 -149122.2160 298.7230 -7.7879 22.7256 557414.1008 5.5766 5.5253 PRESSURE: 3826000 -145.002 18.8554 38.5115 18.8553 95.3158 -188.704 38.5118 -188.703 -131.81 GPRESSURE: 3826000 -141.523 45.9314 -16.6894 -35.2513 172.477 -171.232 24.2115 -273.059 -104.112 PRESSAVG: 3826000 53.1312 6.35344 -6.46244 6.35342 -11.6869 -60.2129 -6.46245 -60.2128 -27.1074 GPRESSAVG: 3826000 54.3263 6.96211 -7.97506 6.98222 -13.0461 -61.0948 -4.63757 -60.7891 -26.9361 TIMING: 3826000 CPU: 11083.7, 0.00291963/step Wall: 11083.7, 0.00291963/step, 0.952124 hours remaining, 212.480469 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: 3826000 768.7349 2065.3662 1947.4577 115.9392 -206078.3348 17689.7403 0.0000 0.0000 34236.1181 -149254.9786 298.9925 -183491.0966 -149162.2715 298.9164 -60.4988 -24.3857 556885.2314 4.7790 4.7813 PRESSURE: 3826200 -173.18 165.306 123.127 165.307 -31.7711 7.69447 123.127 7.69457 -74.3805 GPRESSURE: 3826200 -228.411 76.4244 111.079 193.496 27.2964 -45.7183 129.3 91.4389 12.6555 PRESSAVG: 3826200 -55.4832 2.70217 7.91421 2.70208 60.8539 22.1673 7.91422 22.1672 20.6051 GPRESSAVG: 3826200 -55.831 4.48405 10.3034 -0.243487 61.2097 24.3876 6.45662 22.0459 21.0445 TIMING: 3826200 CPU: 11084.2, 0.00290157/step Wall: 11084.2, 0.00290157/step, 0.946072 hours remaining, 212.480469 MB of memory in use. ENERGY: 3826200 734.6106 2080.3191 1965.4309 109.9372 -205999.3296 17723.4246 0.0000 0.0000 34120.4792 -149265.1280 297.9826 -183385.6072 -149168.8959 298.3711 -93.1107 -62.8197 558265.3964 8.6586 8.8077 PRESSURE: 3826400 -8.71679 -78.9864 50.2645 -78.9876 34.7777 -14.2977 50.2645 -14.297 145.489 GPRESSURE: 3826400 34.4946 15.9727 -9.48197 -105.766 154.45 48.6895 82.0491 -19.6458 90.0752 PRESSAVG: 3826400 3.06789 -24.6806 10.878 -24.6805 27.9573 -31.1214 10.878 -31.1215 -37.4107 GPRESSAVG: 3826400 3.80553 -25.4399 11.8653 -23.8179 28.3627 -30.5948 10.4027 -31.9206 -38.1749 TIMING: 3826400 CPU: 11084.8, 0.00289995/step Wall: 11084.8, 0.00289995/step, 0.945382 hours remaining, 212.480469 MB of memory in use. ENERGY: 3826400 738.0020 2149.3065 1930.0843 105.9989 -206156.7884 17921.4732 0.0000 0.0000 34066.8784 -149245.0451 297.5145 -183311.9235 -149147.8525 299.2051 57.1833 93.0066 557378.5613 -2.1285 -2.0022 PRESSURE: 3826600 -135.916 8.95965 -201.315 8.95855 35.4769 -102.085 -201.315 -102.084 -60.922 GPRESSURE: 3826600 -126.53 -12.4926 -141.83 22.8265 117.557 -32.2519 -195.821 -112.921 -45.8813 PRESSAVG: 3826600 8.94154 17.0778 -46.5109 17.0778 -21.7447 -36.4215 -46.5108 -36.4214 -5.61183 GPRESSAVG: 3826600 7.98441 16.868 -49.2976 17.2041 -21.7038 -37.2375 -45.7297 -38.2573 -4.73146 TIMING: 3826600 CPU: 11085.4, 0.00288396/step Wall: 11085.4, 0.00288396/step, 0.94001 hours remaining, 212.480469 MB of memory in use. ENERGY: 3826600 788.8300 2064.7547 1959.4331 103.4277 -206184.8391 17825.8571 0.0000 0.0000 34286.6224 -149155.9140 299.4336 -183442.5365 -149059.3258 298.9797 -53.7871 -18.2846 558821.0722 -6.1383 -6.1503 PRESSURE: 3826800 29.4505 48.5504 71.4153 48.5524 73.7542 99.9147 71.4163 99.9141 54.5261 GPRESSURE: 3826800 77.1071 11.2226 16.3047 43.697 76.7782 141.644 114.617 7.01155 103.957 PRESSAVG: 3826800 -12.9459 -14.018 41.1439 -14.0179 5.39015 12.7493 41.144 12.7493 -8.96443 GPRESSAVG: 3826800 -13.3769 -12.282 43.5109 -13.4717 5.98785 12.8318 40.5631 14.1649 -9.08719 TIMING: 3826800 CPU: 11086, 0.00288196/step Wall: 11086, 0.00288196/step, 0.939199 hours remaining, 212.480469 MB of memory in use. ENERGY: 3826800 736.8186 2128.2969 1964.4523 99.3977 -206326.3789 18012.4399 0.0000 0.0000 34245.5164 -149139.4571 299.0746 -183384.9735 -149048.3614 299.6940 52.5770 85.9474 558247.3643 -5.5067 -5.4921 PRESSURE: 3827000 -114.07 -63.0453 -129.825 -63.046 56.5312 9.92616 -129.824 9.92534 -200.432 GPRESSURE: 3827000 -62.4558 -101.521 -152.537 -136.959 81.2384 -44.1583 -221.682 75.8054 -164.655 PRESSAVG: 3827000 20.6364 -20.3775 -24.0666 -20.3775 33.0129 -9.76603 -24.0665 -9.76597 -24.6923 GPRESSAVG: 3827000 20.5652 -21.7991 -24.7993 -20.3377 32.5083 -10.5969 -23.6366 -10.0793 -24.3746 TIMING: 3827000 CPU: 11086.6, 0.00286157/step Wall: 11086.6, 0.00286157/step, 0.932394 hours remaining, 212.480469 MB of memory in use. ENERGY: 3827000 712.4122 2139.7351 1964.1234 115.1544 -205624.2918 17437.0850 0.0000 0.0000 34086.4216 -149169.3600 297.6852 -183255.7817 -149068.2578 299.4825 -85.9904 -48.6241 558105.4232 9.6523 9.5663 PRESSURE: 3827200 -126.971 -143.328 228.063 -143.327 -51.1199 -10.5532 228.064 -10.5524 -155.377 GPRESSURE: 3827200 -78.8348 -240.176 162.313 -77.6394 -41.3319 -99.2177 221.08 48.2734 -102.985 PRESSAVG: 3827200 -64.0393 6.1383 3.65034 6.13828 71.8296 -37.0597 3.65032 -37.0597 -92.8336 GPRESSAVG: 3827200 -64.2813 3.74338 3.92734 6.70874 71.8979 -35.8107 4.05519 -36.6698 -92.1842 TIMING: 3827200 CPU: 11087.1, 0.0028671/step Wall: 11087.1, 0.0028671/step, 0.934039 hours remaining, 212.480469 MB of memory in use. ENERGY: 3827200 692.4334 2125.7106 1949.0736 120.0998 -205921.0460 17580.4725 0.0000 0.0000 34279.3974 -149173.8587 299.3705 -183453.2560 -149072.1446 298.7406 -111.1560 -74.3837 557854.8073 -28.3477 -28.1892 PRESSURE: 3827400 -157.279 -79.9321 58.9566 -79.9318 -274.405 -34.3667 58.956 -34.3655 -229.122 GPRESSURE: 3827400 -119.497 -32.21 -17.262 -15.1208 -263.3 -3.68638 77.2477 19.155 -177.745 PRESSAVG: 3827400 23.6742 -15.1202 26.9315 -15.1202 23.4928 -31.7605 26.9316 -31.7605 -9.13141 GPRESSAVG: 3827400 23.6076 -13.2862 24.3632 -16.3343 23.1055 -32 27.4417 -31.4873 -8.54101 TIMING: 3827400 CPU: 11087.7, 0.00287381/step Wall: 11087.7, 0.00287381/step, 0.936062 hours remaining, 212.480469 MB of memory in use. ENERGY: 3827400 719.5898 2161.3252 1937.3232 106.3272 -205897.2386 17566.0224 0.0000 0.0000 34303.8790 -149102.7718 299.5843 -183406.6509 -149012.6973 299.9818 -220.2684 -186.8472 558959.3453 12.6785 12.7240 PRESSURE: 3827600 81.8234 134.986 17.781 134.988 -174.829 -156.304 17.7819 -156.304 -50.0441 GPRESSURE: 3827600 53.7635 127.182 33.5118 125.01 -103.063 -128.009 73.5623 -124.431 5.10083 PRESSAVG: 3827600 -48.5729 39.1437 2.30439 39.1437 -21.6031 -41.3015 2.30436 -41.3015 66.0544 GPRESSAVG: 3827600 -47.4796 38.6745 3.48258 38.9487 -20.3638 -42.4683 2.68864 -38.9933 63.7945 TIMING: 3827600 CPU: 11088.3, 0.00287381/step Wall: 11088.3, 0.00287381/step, 0.935904 hours remaining, 212.480469 MB of memory in use. ENERGY: 3827600 736.7283 2104.2274 1959.1047 123.1910 -206388.1857 17950.1975 0.0000 0.0000 34452.3213 -149062.4155 300.8807 -183514.7368 -148960.0759 300.1653 -47.6831 -14.7329 557502.9940 -1.3739 -1.3496 PRESSURE: 3827800 165.779 -69.3936 -65.1851 -69.3929 284.066 10.944 -65.1841 10.9437 249.404 GPRESSURE: 3827800 236.841 -12.0202 -82.4874 -90.0356 265.002 17.7897 -104.149 43.2812 285.764 PRESSAVG: 3827800 29.0305 14.3255 -3.6909 14.3256 -10.2891 -44.1107 -3.69084 -44.1107 3.07535 GPRESSAVG: 3827800 28.8853 15.1945 -5.90561 13.7056 -10.6774 -43.1056 -2.42679 -44.3147 3.4264 TIMING: 3827800 CPU: 11088.9, 0.0028908/step Wall: 11088.9, 0.0028908/step, 0.941276 hours remaining, 212.480469 MB of memory in use. ENERGY: 3827800 740.3381 2070.7164 1956.5494 111.9744 -206445.1087 18162.0262 0.0000 0.0000 34154.8609 -149248.6433 298.2829 -183403.5042 -149158.7765 299.3935 233.0830 262.5355 556381.8037 7.2722 7.2114 PRESSURE: 3828000 -10.0888 -159.462 -104.795 -159.463 -287.171 -147.589 -104.795 -147.588 248.299 GPRESSURE: 3828000 48.9963 -161.807 -64.1285 -38.077 -254.301 -142.912 -116.91 -134.9 262.517 PRESSAVG: 3828000 -3.26209 15.8666 8.63801 15.8666 -44.8058 -5.14086 8.63804 -5.14095 48.2503 GPRESSAVG: 3828000 -3.64626 16.0412 10.8711 16.4194 -43.9679 -6.58419 6.36513 -5.4236 49.0535 TIMING: 3828000 CPU: 11089.4, 0.0028831/step Wall: 11089.4, 0.0028831/step, 0.93861 hours remaining, 212.480469 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: 3828000 765.2727 2140.4129 1940.6394 109.7131 -206224.3204 17750.7822 0.0000 0.0000 34321.8123 -149195.6876 299.7409 -183517.4999 -149101.1954 298.8737 -16.3204 19.0708 558094.9224 0.0608 0.4798 PRESSURE: 3828200 83.9624 -86.1902 118.859 -86.19 -27.761 66.8744 118.859 66.8754 132.514 GPRESSURE: 3828200 101.413 -160.029 183.692 2.81283 4.10323 28.513 34.8156 14.9826 183.424 PRESSAVG: 3828200 3.09929 -29.7529 12.3801 -29.7528 -66.8073 -10.1649 12.3799 -10.165 87.0574 GPRESSAVG: 3828200 2.8374 -29.9867 13.5343 -29.6452 -67.5072 -10.1149 12.0306 -10.3323 87.7489 TIMING: 3828200 CPU: 11090, 0.00287529/step Wall: 11090, 0.00287529/step, 0.935908 hours remaining, 212.480469 MB of memory in use. ENERGY: 3828200 758.1693 2064.4923 1972.5973 109.9261 -206316.3765 17875.5678 0.0000 0.0000 34303.7768 -149231.8469 299.5834 -183535.6237 -149128.6353 299.1522 62.9051 96.3135 557431.2952 7.7831 7.6931 LDB: ============= START OF LOAD BALANCING ============== 11093.4 LDB: ============== END OF LOAD BALANCING =============== 11093.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11093.4 LDB: ============= START OF LOAD BALANCING ============== 11093.7 LDB: Largest compute 4773 load 0.024473 is 20.7% of average load 0.118085 LDB: Average compute 0.001725 is 1.5% of average load 0.118085 LDB: TIME 11093.7 LOAD: AVG 0.118085 MAX 0.179091 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.438 MB LDB: TIME 11093.7 LOAD: AVG 0.118085 MAX 0.179091 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.438 MB LDB: TIME 11093.7 LOAD: AVG 0.118085 MAX 0.179091 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11093.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11093.7 PRESSURE: 3828400 -85.8715 -169.495 -109.722 -169.495 -253.783 144.434 -109.722 144.433 -39.9943 GPRESSURE: 3828400 -48.636 -221.325 -189.547 -109.693 -184.285 98.4576 -39.3767 188.723 -35.3852 PRESSAVG: 3828400 -87.4735 16.8888 -6.74548 16.8888 -42.6737 4.5726 -6.7454 4.57249 99.7487 GPRESSAVG: 3828400 -87.0674 18.4501 -7.65765 16.8017 -42.1957 5.24847 -7.79942 3.98217 99.3124 TIMING: 3828400 CPU: 11090.6, 0.00293345/step Wall: 11090.6, 0.00293345/step, 0.954675 hours remaining, 211.109375 MB of memory in use. ENERGY: 3828400 740.7029 2137.5376 1930.9970 119.7835 -205825.4437 17582.5518 0.0000 0.0000 34107.5919 -149206.2790 297.8701 -183313.8709 -149110.6132 299.0281 -126.5495 -89.4353 558130.9175 -10.1328 -9.9836 PRESSURE: 3828600 -36.7476 44.896 -35.7515 44.8956 -301.44 36.3741 -35.7534 36.3745 -113.887 GPRESSURE: 3828600 -3.33626 28.302 -103.651 64.5451 -229.115 -29.5179 -15.1206 48.1692 -125.578 PRESSAVG: 3828600 -47.8002 -5.03872 4.01511 -5.03875 28.503 39.5764 4.01507 39.5764 -13.7846 GPRESSAVG: 3828600 -48.2296 -6.4575 5.56468 -3.53831 29.1068 40.6255 5.46632 38.4542 -14.0936 TIMING: 3828600 CPU: 11091.2, 0.00287842/step Wall: 11091.2, 0.00287842/step, 0.936606 hours remaining, 211.312500 MB of memory in use. ENERGY: 3828600 727.5937 2080.0604 1950.8455 121.8516 -205627.0359 17384.0249 0.0000 0.0000 34187.3659 -149175.2939 298.5668 -183362.6599 -149074.4647 298.9911 -150.6917 -119.3430 557667.6397 -11.0273 -11.0722 PRESSURE: 3828800 58.4811 -79.1686 64.6728 -79.1693 18.0837 203.66 64.6754 203.659 197.772 GPRESSURE: 3828800 107.78 -65.8956 46.5072 -68.6651 69.4314 215.369 -28.2721 201.063 190.735 PRESSAVG: 3828800 15.3876 -20.9864 31.6884 -20.9863 4.36229 54.9404 31.6883 54.9404 -38.6517 GPRESSAVG: 3828800 15.1382 -21.3556 29.6199 -21.4512 3.84216 55.7273 32.1257 55.4112 -38.0848 TIMING: 3828800 CPU: 11091.7, 0.00288101/step Wall: 11091.7, 0.00288101/step, 0.93729 hours remaining, 211.312500 MB of memory in use. ENERGY: 3828800 733.8858 2077.0340 1948.4738 109.4670 -206045.6347 17816.6957 0.0000 0.0000 34076.9365 -149283.1420 297.6024 -183360.0785 -149189.2374 299.3466 91.4457 122.6487 555541.8273 -6.3006 -6.3681 PRESSURE: 3829000 -88.8774 27.4398 83.8242 27.4399 -287.345 -46.4601 83.8239 -46.4603 -411.684 GPRESSURE: 3829000 -33.1179 116.267 47.1577 -1.30838 -224.749 -17.8616 112.406 88.2386 -436.029 PRESSAVG: 3829000 44.4813 -11.4375 -8.05379 -11.4374 -34.7225 -10.6436 -8.05387 -10.6435 6.46413 GPRESSAVG: 3829000 43.7682 -11.0573 -6.78577 -12.1678 -34.3335 -10.2614 -7.66162 -11.1665 6.72289 TIMING: 3829000 CPU: 11092.3, 0.00291116/step Wall: 11092.3, 0.00291116/step, 0.946936 hours remaining, 211.312500 MB of memory in use. ENERGY: 3829000 794.8558 2126.6712 1953.8571 118.9707 -205922.1416 17520.3999 0.0000 0.0000 34242.4684 -149164.9185 299.0480 -183407.3869 -149075.1831 299.0351 -262.6357 -231.2985 557273.1983 5.4077 5.3859 PRESSURE: 3829200 -217.984 163.885 1.34269 163.886 43.9081 107.356 1.3428 107.356 -113.52 GPRESSURE: 3829200 -157.805 123.652 -7.53087 153.939 49.6119 106.985 3.53494 126.346 -76.5486 PRESSAVG: 3829200 8.70964 39.64 19.3022 39.64 -15.9066 4.0661 19.3022 4.06605 -45.5693 GPRESSAVG: 3829200 9.71219 40.2907 19.158 38.2937 -16.1082 4.53279 17.8728 3.32551 -46.0362 TIMING: 3829200 CPU: 11092.9, 0.00289721/step Wall: 11092.9, 0.00289721/step, 0.942237 hours remaining, 211.312500 MB of memory in use. ENERGY: 3829200 760.9088 2087.9182 1945.7664 105.0970 -206103.2662 17634.8365 0.0000 0.0000 34159.5118 -149409.2275 298.3235 -183568.7393 -149314.9350 298.5427 -95.8652 -61.5806 557031.4760 -17.5888 -17.4774 PRESSURE: 3829400 93.2476 -109.76 -38.7205 -109.76 -156.031 -59.0686 -38.7207 -59.0662 139.155 GPRESSURE: 3829400 164.89 -47.5515 -18.7269 -111.075 -95.974 -80.7769 -85.0345 -46.7079 99.9191 PRESSAVG: 3829400 43.4798 7.30448 18.3928 7.3045 -66.0655 -32.6757 18.3928 -32.6756 11.9422 GPRESSAVG: 3829400 43.9441 6.89262 18.405 9.4169 -66.2127 -33.1842 18.0296 -30.8696 12.451 TIMING: 3829400 CPU: 11093.5, 0.00286359/step Wall: 11093.5, 0.00286359/step, 0.931144 hours remaining, 211.312500 MB of memory in use. ENERGY: 3829400 734.2290 2059.8328 1950.9588 119.1344 -206085.1514 17780.8746 0.0000 0.0000 33998.4090 -149441.7129 296.9166 -183440.1219 -149356.8847 298.1293 25.4574 56.2783 557730.2359 -3.5478 -3.2725 PRESSURE: 3829600 47.6603 143.713 113.975 143.711 -102.263 127.259 113.975 127.258 227.272 GPRESSURE: 3829600 75.4196 127.647 54.7543 150.641 -21.6674 173.525 137.049 168.39 209.93 PRESSAVG: 3829600 -12.2857 -40.4377 5.51421 -40.4378 46.4103 44.272 5.51422 44.272 -46.9305 GPRESSAVG: 3829600 -12.4715 -39.7814 2.97166 -41.1967 47.2061 45.3981 8.03686 43.55 -47.7235 TIMING: 3829600 CPU: 11094.1, 0.00287313/step Wall: 11094.1, 0.00287313/step, 0.934087 hours remaining, 211.312500 MB of memory in use. ENERGY: 3829600 742.5292 2076.8344 1975.6464 100.3658 -206572.2591 17925.9573 0.0000 0.0000 34304.5162 -149446.4097 299.5899 -183750.9259 -149350.7166 298.6777 57.5562 87.8939 556697.6087 -4.2686 -4.3296 PRESSURE: 3829800 174.987 83.3884 -25.7974 83.3879 -153.975 -68.1393 -25.7975 -68.1398 -154.497 GPRESSURE: 3829800 155.296 38.6371 6.91547 86.4656 -89.9868 -103.704 -77.3999 -105.232 -106.179 PRESSAVG: 3829800 87.0661 15.5046 1.06408 15.5045 -26.5038 -15.096 1.06417 -15.0961 -85.7401 GPRESSAVG: 3829800 87.8634 15.2272 0.624998 14.8033 -27.5317 -16.5418 1.26589 -13.9049 -85.4919 TIMING: 3829800 CPU: 11094.6, 0.00286444/step Wall: 11094.6, 0.00286444/step, 0.931102 hours remaining, 211.312500 MB of memory in use. ENERGY: 3829800 720.3018 2092.3075 1957.7428 111.5590 -206240.7731 17748.4048 0.0000 0.0000 34236.1280 -149374.3293 298.9926 -183610.4573 -149278.4038 298.8514 -44.4951 -13.6234 558441.2162 -8.3926 -8.3867 PRESSURE: 3830000 213.108 44.0556 15.5388 44.0546 -9.30897 -49.88 15.5382 -49.8799 -221.733 GPRESSURE: 3830000 179.805 18.9379 -4.89992 108.344 101.318 21.8399 73.03 -26.5976 -200.163 PRESSAVG: 3830000 86.961 14.0052 -22.4271 14.0052 15.9907 -26.1237 -22.4271 -26.1238 -63.7886 GPRESSAVG: 3830000 86.3994 13.6372 -19.3298 15.0365 17.226 -24.914 -23.1973 -26.5301 -63.6626 TIMING: 3830000 CPU: 11095.2, 0.00287257/step Wall: 11095.2, 0.00287258/step, 0.933587 hours remaining, 211.312500 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: 3830000 723.0435 2074.5457 1942.1195 117.0059 -206393.1271 17943.5113 0.0000 0.0000 34247.5414 -149345.3599 299.0923 -183592.9012 -149246.5600 298.6391 -5.9782 26.9864 558214.1092 13.0544 13.3209 PRESSURE: 3830200 223.529 -63.1448 24.331 -63.145 116.328 -144.32 24.3315 -144.321 221.903 GPRESSURE: 3830200 233.059 -84.3387 -10.9002 -12.8888 144.116 -207.763 5.88838 -39.4847 266.496 PRESSAVG: 3830200 59.4363 4.73505 -50.4068 4.73504 48.336 -26.3933 -50.4068 -26.3933 -27.0744 GPRESSAVG: 3830200 60.6836 5.27805 -51.496 3.15915 47.1518 -27.7174 -51.5628 -25.6255 -27.6322 TIMING: 3830200 CPU: 11095.8, 0.00286478/step Wall: 11095.8, 0.00286478/step, 0.930893 hours remaining, 211.312500 MB of memory in use. ENERGY: 3830200 737.5941 2087.7212 1959.7479 110.6665 -206527.4653 18021.3815 0.0000 0.0000 34264.6468 -149345.7073 299.2417 -183610.3542 -149245.4531 298.6940 187.2532 214.5570 556635.9527 26.8993 26.7344 PRESSURE: 3830400 -323.206 -30.5029 -59.1778 -30.5038 -82.0318 -126.367 -59.1768 -126.368 -74.3771 GPRESSURE: 3830400 -268.285 -21.9999 -38.9524 11.8695 -72.3133 -174.052 -34.911 -152.851 -36.4102 PRESSAVG: 3830400 4.02654 -21.8605 -22.3218 -21.8605 -21.3786 -6.55973 -22.3218 -6.55976 -22.1672 GPRESSAVG: 3830400 2.81513 -20.9764 -23.7009 -22.999 -20.9209 -6.76102 -21.1864 -8.07525 -21.3468 TIMING: 3830400 CPU: 11096.3, 0.00286733/step Wall: 11096.3, 0.00286733/step, 0.931563 hours remaining, 211.312500 MB of memory in use. ENERGY: 3830400 743.3656 2114.8738 1973.3922 106.2738 -205908.5396 17542.6706 0.0000 0.0000 34086.2717 -149341.6919 297.6839 -183427.9636 -149237.4916 298.5377 -159.8716 -125.6694 557694.8480 -13.1731 -13.1508 PRESSURE: 3830600 271.322 7.46967 -133.785 7.47046 -116.331 62.6812 -133.786 62.6815 -105.961 GPRESSURE: 3830600 293.455 -74.4676 -117.957 99.1008 -133.353 27.7376 -121.968 118.253 -3.68016 PRESSAVG: 3830600 49.9526 19.5405 -3.26001 19.5405 -23.5046 -12.2993 -3.26002 -12.2993 -28.3515 GPRESSAVG: 3830600 49.4373 16.9926 -1.31361 22.6719 -22.4114 -9.24857 -5.6828 -13.9896 -28.8575 TIMING: 3830600 CPU: 11096.9, 0.0028915/step Wall: 11096.9, 0.0028915/step, 0.939254 hours remaining, 211.312500 MB of memory in use. ENERGY: 3830600 763.6086 2057.2540 1960.6243 113.8684 -206534.0995 18005.1419 0.0000 0.0000 34213.6972 -149419.9051 298.7967 -183633.6023 -149322.4643 298.4137 16.3430 52.1407 556595.1866 -0.6345 -0.6105 PRESSURE: 3830800 37.8951 -28.9314 46.2418 -28.9301 -111.112 -33.9739 46.242 -33.9724 44.2133 GPRESSURE: 3830800 18.007 -41.1811 172.463 -13.4631 -72.2283 -74.5129 -23.4559 -45.1467 127.845 PRESSAVG: 3830800 38.2719 -21.6549 -4.46253 -21.6549 8.37526 -77.1016 -4.46245 -77.1015 -54.2859 GPRESSAVG: 3830800 37.7693 -21.2406 -6.28936 -23.4702 8.38953 -81.0056 -2.74708 -72.9755 -54.8382 TIMING: 3830800 CPU: 11097.5, 0.00289436/step Wall: 11097.5, 0.00289436/step, 0.940023 hours remaining, 211.312500 MB of memory in use. ENERGY: 3830800 744.8037 2061.4447 1949.5797 111.1672 -206164.8685 17833.8564 0.0000 0.0000 34084.9178 -149379.0989 297.6721 -183464.0167 -149278.0557 298.8480 -9.6680 24.5411 558268.8617 -2.5463 -2.8931 PRESSURE: 3831000 -35.1378 99.233 -151.892 99.2329 45.0962 -0.207559 -151.893 -0.206289 80.749 GPRESSURE: 3831000 -19.9161 45.8601 -160.098 145.859 93.1003 -98.5029 -154.814 73.2947 110.636 PRESSAVG: 3831000 -41.3814 -24.7971 -43.2692 -24.7971 -15.2909 -28.2701 -43.2694 -28.2701 23.0189 GPRESSAVG: 3831000 -42.0598 -25.6331 -41.2436 -22.983 -15.5652 -27.6642 -44.144 -29.0516 23.3261 TIMING: 3831000 CPU: 11098.1, 0.00289842/step Wall: 11098.1, 0.00289842/step, 0.941182 hours remaining, 211.312500 MB of memory in use. ENERGY: 3831000 722.3964 2111.4925 1962.2409 123.4143 -206280.8113 17831.4233 0.0000 0.0000 34143.7537 -149386.0901 298.1859 -183529.8438 -149294.3742 298.8734 30.2358 61.2734 557314.3518 -11.2178 -11.4330 PRESSURE: 3831200 76.4958 -27.2196 -218.817 -27.2191 49.9517 144.921 -218.818 144.923 254.958 GPRESSURE: 3831200 137.327 -34.9734 -225.27 -3.75902 26.4716 165.717 -124.986 95.3508 306.783 PRESSAVG: 3831200 -22.8527 -8.29085 -63.4714 -8.29091 -3.07228 -81.5099 -63.4713 -81.5099 32.4828 GPRESSAVG: 3831200 -21.3792 -8.33316 -61.7869 -8.32184 -4.27884 -79.4541 -61.549 -81.2759 32.3116 TIMING: 3831200 CPU: 11098.7, 0.0029005/step Wall: 11098.7, 0.0029005/step, 0.941695 hours remaining, 211.312500 MB of memory in use. ENERGY: 3831200 736.6179 2075.9522 1961.3252 121.0601 -206595.1603 18078.3116 0.0000 0.0000 34363.8899 -149258.0035 300.1084 -183621.8934 -149161.6303 298.8623 127.1351 156.8607 557045.0681 2.1860 2.2179 PRESSURE: 3831400 -9.09164 26.7245 124.935 26.7249 -305.143 -116.426 124.935 -116.426 -129.657 GPRESSURE: 3831400 -42.4333 -96.2298 133.844 106.442 -232.978 -70.4364 135.978 -137.723 -59.5218 PRESSAVG: 3831400 -63.4593 -22.3561 6.90334 -22.3562 -0.66121 -6.38139 6.9034 -6.38145 72.3086 GPRESSAVG: 3831400 -64.896 -23.037 5.02401 -22.7582 0.061821 -6.66737 6.0911 -6.68187 73.016 TIMING: 3831400 CPU: 11099.2, 0.00289812/step Wall: 11099.2, 0.00289812/step, 0.940763 hours remaining, 211.312500 MB of memory in use. ENERGY: 3831400 720.9843 2148.5762 1939.8925 119.3446 -205811.3391 17484.6416 0.0000 0.0000 34142.0854 -149255.8145 298.1713 -183397.8999 -149163.5759 298.8537 -147.9640 -111.6442 558073.8958 2.7294 2.7273 PRESSURE: 3831600 -72.4769 45.0771 93.6001 45.0751 95.4632 97.8205 93.6013 97.8201 -90.3863 GPRESSURE: 3831600 -42.0644 105.701 92.1456 -0.31069 116.58 92.2607 74.6795 88.34 -43.0551 PRESSAVG: 3831600 -33.7025 21.4434 -22.056 21.4433 13.0745 -51.1924 -22.0559 -51.1924 24.0477 GPRESSAVG: 3831600 -33.3667 21.9449 -22.8742 21.9445 12.8073 -51.9751 -21.799 -51.1716 23.9903 TIMING: 3831600 CPU: 11099.8, 0.00288443/step Wall: 11099.8, 0.00288443/step, 0.936158 hours remaining, 211.312500 MB of memory in use. ENERGY: 3831600 785.1717 2084.3442 1951.2035 104.1803 -206337.8471 17980.3957 0.0000 0.0000 34183.2153 -149249.3363 298.5305 -183432.5516 -149153.2735 298.7695 -22.4667 10.4868 557315.3484 1.1399 1.1436 PRESSURE: 3831800 23.1724 41.061 -173.686 41.0609 -26.7835 -0.394781 -173.685 -0.396258 -299.139 GPRESSURE: 3831800 46.6814 28.0799 -216.85 32.8662 30.2416 31.722 -218.652 -26.4026 -286.094 PRESSAVG: 3831800 35.7036 26.0291 -22.0041 26.029 -28.2638 -2.42422 -22.0041 -2.42419 -41.1623 GPRESSAVG: 3831800 35.5878 26.9499 -22.6566 26.1678 -26.8962 -2.27337 -22.3753 -3.66065 -42.1974 TIMING: 3831800 CPU: 11100.4, 0.00288385/step Wall: 11100.4, 0.00288386/step, 0.935811 hours remaining, 211.312500 MB of memory in use. ENERGY: 3831800 733.3665 2086.0090 1954.8508 122.5848 -206123.9982 17518.7031 0.0000 0.0000 34349.1514 -149359.3327 299.9797 -183708.4841 -149262.5308 298.8732 -100.9168 -69.7235 556438.4407 -11.2408 -11.1686 PRESSURE: 3832000 195.073 164.243 116.988 164.243 248 25.7833 116.989 25.784 240.582 GPRESSURE: 3832000 257.632 136.846 91.0969 145.497 268.596 70.6272 123.304 -32.6138 261.19 PRESSAVG: 3832000 37.501 49.3567 -48.0135 49.3567 7.50117 -16.0034 -48.0135 -16.0035 -1.36701 GPRESSAVG: 3832000 37.7558 48.6926 -47.9575 47.7301 6.42006 -15.4327 -48.0444 -16.439 -0.193895 TIMING: 3832000 CPU: 11101, 0.00288655/step Wall: 11101, 0.00288655/step, 0.936525 hours remaining, 211.312500 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: 3832000 777.2429 2096.9149 1916.7121 113.2309 -206717.5616 18336.6841 0.0000 0.0000 34278.0970 -149198.6796 299.3591 -183476.7766 -149104.2719 299.2690 227.8848 262.4726 556487.5674 14.5451 14.6606 PRESSURE: 3832200 -126.258 -85.4508 -122.367 -85.4517 -130.908 11.822 -122.367 11.824 -197.944 GPRESSURE: 3832200 -90.8795 -144.629 -24.4015 -24.206 -125.018 -65.5347 -198.21 91.0339 -152.904 PRESSAVG: 3832200 30.6885 14.6325 16.0545 14.6326 7.63778 17.774 16.0546 17.774 -27.7032 GPRESSAVG: 3832200 31.3407 14.5783 15.373 16.6772 6.70827 17.6544 16.8678 17.9246 -27.5703 TIMING: 3832200 CPU: 11101.6, 0.00286834/step Wall: 11101.6, 0.00286834/step, 0.930456 hours remaining, 211.312500 MB of memory in use. ENERGY: 3832200 770.3382 2039.1285 1944.9965 115.3665 -206226.9733 17707.1285 0.0000 0.0000 34246.7996 -149403.2155 299.0858 -183650.0151 -149304.8755 298.4792 -151.7034 -122.9340 557391.7769 3.5410 3.4929 LDB: ============= START OF LOAD BALANCING ============== 11104.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11104.9 LDB: =============== DONE WITH MIGRATION ================ 11104.9 LDB: ============= START OF LOAD BALANCING ============== 11105.2 LDB: Largest compute 4792 load 0.024604 is 20.9% of average load 0.117934 LDB: Average compute 0.001731 is 1.5% of average load 0.117934 LDB: TIME 11105.2 LOAD: AVG 0.117934 MAX 0.180758 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.051 MB LDB: TIME 11105.2 LOAD: AVG 0.117934 MAX 0.180758 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: TIME 11105.2 LOAD: AVG 0.117934 MAX 0.180758 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: ============== END OF LOAD BALANCING =============== 11105.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11105.2 Info: useSync: 0 useProxySync: 0 PRESSURE: 3832400 10.4232 -106.04 -4.11299 -106.039 114.346 -11.3967 -4.11239 -11.3942 -50.468 GPRESSURE: 3832400 13.1759 -111.852 65.6788 -66.6443 149.289 -1.2405 -30.7424 -109.077 16.3193 PRESSAVG: 3832400 -33.4009 -11.0816 3.28247 -11.0816 -52.1137 -29.6661 3.28247 -29.6661 80.4403 GPRESSAVG: 3832400 -34.2605 -10.5281 6.43039 -11.0561 -52.0132 -28.5665 2.28372 -30.1153 80.7975 TIMING: 3832400 CPU: 11102.1, 0.00295687/step Wall: 11102.1, 0.00295687/step, 0.959012 hours remaining, 211.312500 MB of memory in use. ENERGY: 3832400 775.4801 2053.5468 1952.6735 106.4448 -206653.3455 18058.8847 0.0000 0.0000 34401.0725 -149305.2430 300.4331 -183706.3156 -149204.6813 299.5927 24.7672 59.5946 556862.1717 -1.6914 -1.8254 PRESSURE: 3832600 -186.502 108.789 -115.799 108.789 -75.2344 -64.1105 -115.799 -64.11 -141.993 GPRESSURE: 3832600 -133.148 82.4009 -126.852 132.457 -71.9229 -25.6872 -30.7786 46.6097 -109.206 PRESSAVG: 3832600 -70.0811 17.2482 -17.3774 17.2481 53.6597 -28.2534 -17.3774 -28.2534 -16.3966 GPRESSAVG: 3832600 -68.5116 18.3428 -20.3756 15.6511 52.4829 -27.5553 -15.5733 -29.1002 -17.0378 TIMING: 3832600 CPU: 11102.7, 0.00288598/step Wall: 11102.7, 0.00288598/step, 0.935861 hours remaining, 211.382812 MB of memory in use. ENERGY: 3832600 762.5101 2073.8100 1963.5829 119.0387 -206329.3948 17724.5160 0.0000 0.0000 34432.3956 -149253.5415 300.7067 -183685.9372 -149155.1289 299.5438 -134.5764 -104.7592 558073.0574 -10.9394 -11.0222 PRESSURE: 3832800 -98.3712 108.609 15.7766 108.61 -39.3245 37.2078 15.7771 37.2056 -217.741 GPRESSURE: 3832800 -92.5103 57.3418 56.8361 119.644 6.20367 40.0447 77.0014 1.59314 -168.6 PRESSAVG: 3832800 59.0079 77.175 -7.91084 77.1749 -15.8573 -45.5057 -7.91076 -45.5059 -30.314 GPRESSAVG: 3832800 57.0139 77.9001 -6.95062 78.7032 -14.0649 -48.1012 -8.7449 -42.781 -30.5352 TIMING: 3832800 CPU: 11103.3, 0.00289201/step Wall: 11103.3, 0.00289201/step, 0.937653 hours remaining, 211.382812 MB of memory in use. ENERGY: 3832800 749.6988 2078.1923 1966.1500 135.5034 -205884.5187 17492.3971 0.0000 0.0000 34391.6341 -149070.9430 300.3507 -183462.5771 -148965.7591 299.6185 -118.4789 -84.9687 557205.1774 4.2789 4.1379 PRESSURE: 3833000 -410.021 250.821 65.9671 250.821 -104.726 42.6671 65.967 42.667 35.5705 GPRESSURE: 3833000 -352.886 298.528 39.4552 179.145 -88.8656 20.8434 93.3429 63.4559 72.187 PRESSAVG: 3833000 -68.7891 25.4744 31.5928 25.4743 133.891 23.5506 31.5929 23.5506 -85.009 GPRESSAVG: 3833000 -67.9529 24.4917 30.9703 25.8987 132.384 23.01 31.6396 22.8537 -84.8566 TIMING: 3833000 CPU: 11103.9, 0.00288568/step Wall: 11103.9, 0.00288568/step, 0.935442 hours remaining, 211.382812 MB of memory in use. ENERGY: 3833000 780.5814 2184.2000 1946.3720 117.4341 -206289.2427 17804.5846 0.0000 0.0000 34159.6994 -149296.3713 298.3252 -183456.0707 -149203.2969 299.3823 -159.7255 -123.1880 558240.0534 -6.6358 -6.8086 PRESSURE: 3833200 -78.769 -156.783 -5.41136 -156.783 -90.5204 -151.502 -5.40988 -151.503 46.1835 GPRESSURE: 3833200 -17.5865 -141.881 -12.9241 -169.061 -15.3411 -165.404 20.6147 -141.474 -7.18791 PRESSAVG: 3833200 -22.3463 12.862 -18.0841 12.862 -13.675 -17.2145 -18.0841 -17.2146 42.0776 GPRESSAVG: 3833200 -22.3112 14.2105 -16.2882 11.5931 -13.9648 -15.4382 -19.3539 -17.2631 42.0145 TIMING: 3833200 CPU: 11104.4, 0.00287315/step Wall: 11104.4, 0.00287315/step, 0.931218 hours remaining, 211.382812 MB of memory in use. ENERGY: 3833200 761.5096 2145.4376 1973.9854 113.6248 -206518.0832 17820.1835 0.0000 0.0000 34465.1409 -149238.2014 300.9926 -183703.3422 -149136.2381 299.1443 -41.0353 -13.3718 555938.5870 2.0188 1.9128 PRESSURE: 3833400 -156.81 61.6721 -16.0647 61.6731 -153.316 24.2206 -16.0638 24.22 -95.181 GPRESSURE: 3833400 -80.1267 -20.6888 -11.0213 124.236 -143.907 -26.6217 13.6137 -47.5304 -96.1983 PRESSAVG: 3833400 -9.55 43.2594 56.6192 43.2593 -10.8544 -50.5785 56.6192 -50.5785 -32.3904 GPRESSAVG: 3833400 -9.46323 40.8888 54.4147 44.9745 -10.3833 -51.1061 58.3488 -48.5233 -32.5277 TIMING: 3833400 CPU: 11105, 0.00289011/step Wall: 11105, 0.00289011/step, 0.936556 hours remaining, 211.382812 MB of memory in use. ENERGY: 3833400 767.5318 2183.6552 1956.0254 121.4691 -206060.1196 17566.6963 0.0000 0.0000 34338.2069 -149126.5349 299.8841 -183464.7418 -149039.0349 299.2431 -135.1023 -106.7440 557378.5452 -17.5983 -17.4581 PRESSURE: 3833600 72.1236 -141.159 97.9385 -141.159 -108.687 109.765 97.9382 109.765 -261.615 GPRESSURE: 3833600 114.799 -204.502 103.93 -127.694 -118.878 36.5574 72.3811 146.916 -197.172 PRESSAVG: 3833600 29.428 51.2796 63.8475 51.2795 -5.63323 -64.8656 63.8475 -64.8656 -22.4985 GPRESSAVG: 3833600 28.7006 53.1245 64.5321 48.5649 -4.43288 -66.7223 64.2274 -66.3078 -22.1751 TIMING: 3833600 CPU: 11105.6, 0.00289719/step Wall: 11105.6, 0.00289719/step, 0.938688 hours remaining, 211.382812 MB of memory in use. ENERGY: 3833600 745.6629 2113.5883 1945.4532 128.2228 -206180.4982 17614.3909 0.0000 0.0000 34394.0393 -149239.1408 300.3717 -183633.1801 -149137.0055 299.5281 -99.3926 -67.0836 557456.9958 0.4321 0.6975 PRESSURE: 3833800 -217.344 177.87 27.9255 177.871 -137.282 -31.152 27.9242 -31.1504 -95.9792 GPRESSURE: 3833800 -171.583 157.937 -21.4576 186.267 -95.5413 -84.0454 60.9589 39.1384 -87.1146 PRESSAVG: 3833800 -10.7574 -18.252 21.2139 -18.2519 -1.24928 -27.2021 21.2139 -27.2022 -3.74023 GPRESSAVG: 3833800 -9.09401 -18.225 22.2823 -18.5424 -1.20657 -25.2553 18.5702 -27.0609 -4.91829 TIMING: 3833800 CPU: 11106.2, 0.0028822/step Wall: 11106.2, 0.00288219/step, 0.933671 hours remaining, 211.382812 MB of memory in use. ENERGY: 3833800 730.6619 2149.8019 1935.3033 113.0852 -206085.7655 17661.0077 0.0000 0.0000 34334.6795 -149161.2261 299.8533 -183495.9055 -149052.0108 298.8774 -150.2018 -118.0797 558072.0264 -5.2490 -5.0730 PRESSURE: 3834000 -32.4305 -6.057 -16.5679 -6.0543 -144.434 118.899 -16.5685 118.901 -369.79 GPRESSURE: 3834000 -14.4547 -97.0137 22.8476 55.7483 -174.414 126.557 -83.9873 136.702 -248.239 PRESSAVG: 3834000 72.8108 81.9492 22.623 81.9492 -10.9833 14.1944 22.6229 14.1944 -55.652 GPRESSAVG: 3834000 70.9331 83.119 23.7029 81.5076 -10.6402 13.5124 21.3827 14.623 -54.1403 TIMING: 3834000 CPU: 11106.8, 0.00290329/step Wall: 11106.8, 0.00290329/step, 0.940343 hours remaining, 211.382812 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: 3834000 756.8158 2091.9903 1945.9505 116.0613 -206376.2453 17729.0752 0.0000 0.0000 34381.0688 -149355.2836 300.2584 -183736.3524 -149252.1501 299.4580 -182.2181 -145.7027 556641.9369 2.0585 2.0509 PRESSURE: 3834200 21.0011 145.896 22.1427 145.897 45.2533 -45.4467 22.1445 -45.4446 68.1175 GPRESSURE: 3834200 -8.2824 227.062 34.7711 106.017 102.888 -69.1366 67.6124 -28.188 128.344 PRESSAVG: 3834200 -26.4474 47.4899 10.5667 47.4898 52.7648 19.2626 10.5666 19.2625 -6.73547 GPRESSAVG: 3834200 -25.8975 45.404 6.08815 51.5984 51.8678 20.4897 15.2193 17.9977 -6.46927 TIMING: 3834200 CPU: 11107.3, 0.00291463/step Wall: 11107.3, 0.00291463/step, 0.943855 hours remaining, 211.382812 MB of memory in use. ENERGY: 3834200 769.8830 2133.2455 1940.7758 112.2168 -206473.3148 17881.4313 0.0000 0.0000 34249.8165 -149385.9458 299.1122 -183635.7623 -149286.7997 298.5793 44.7906 74.3166 556580.9101 6.5273 6.5003 PRESSURE: 3834400 -136.522 -55.3654 146.721 -55.3651 33.7311 16.6985 146.721 16.6976 58.7126 GPRESSURE: 3834400 -67.2031 -93.5387 124.422 -67.6862 60.3538 19.447 62.6564 77.2925 61.4117 PRESSAVG: 3834400 -45.8859 40.0194 -35.4995 40.0194 18.3438 -0.878009 -35.4993 -0.877878 -10.7378 GPRESSAVG: 3834400 -45.6015 40.8217 -34.2467 37.2763 18.7666 -1.45551 -36.3708 1.9432 -11.8029 TIMING: 3834400 CPU: 11107.9, 0.00289001/step Wall: 11107.9, 0.00289001/step, 0.93572 hours remaining, 211.382812 MB of memory in use. ENERGY: 3834400 757.1566 2067.7685 1964.8599 105.2394 -206271.1965 17829.2196 0.0000 0.0000 34157.0598 -149389.8928 298.3021 -183546.9526 -149299.3675 298.7339 -14.6929 18.1875 557725.6034 -12.7600 -12.8793 PRESSURE: 3834600 -68.1143 109.853 -1.21847 109.852 104.001 66.2636 -1.21802 66.2626 -162.937 GPRESSURE: 3834600 -48.3416 77.6077 -15.0435 10.9998 161.148 28.7133 -4.70503 40.7906 -126.244 PRESSAVG: 3834600 -28.2198 12.8023 -12.127 12.8024 41.0269 3.69528 -12.1271 3.69535 -26.9727 GPRESSAVG: 3834600 -29.1325 12.6561 -10.962 14.6002 41.6404 3.88103 -13.0883 3.517 -27.0475 TIMING: 3834600 CPU: 11108.5, 0.00288775/step Wall: 11108.5, 0.00288775/step, 0.934829 hours remaining, 211.382812 MB of memory in use. ENERGY: 3834600 802.7695 2076.7726 1930.7791 117.3715 -206533.5300 17916.0030 0.0000 0.0000 34236.8809 -149452.9533 298.9992 -183689.8342 -149361.4384 298.6692 -42.3502 -4.4791 557833.3290 -4.7218 -4.8465 PRESSURE: 3834800 -115.706 80.9112 -69.8292 80.9122 -281.163 7.18172 -69.8303 7.18034 -530.566 GPRESSURE: 3834800 -81.1266 86.4272 20.7694 39.5457 -238.443 -44.7329 50.4967 19.3018 -512.271 PRESSAVG: 3834800 -27.6602 35.7826 8.09644 35.7826 86.3062 51.9893 8.09642 51.9893 -42.3956 GPRESSAVG: 3834800 -26.9243 37.118 6.28067 36.741 86.3158 50.3205 8.52223 49.622 -42.7575 TIMING: 3834800 CPU: 11109.1, 0.00288176/step Wall: 11109.1, 0.00288176/step, 0.932728 hours remaining, 211.382812 MB of memory in use. ENERGY: 3834800 791.6999 2104.2658 1943.4820 120.9999 -205967.3273 17514.4378 0.0000 0.0000 34142.2843 -149350.1578 298.1731 -183492.4420 -149248.4404 299.4525 -309.1449 -277.2801 556985.4072 5.4168 5.5447 PRESSURE: 3835000 -91.2257 -150.667 8.43107 -150.666 30.404 -17.2694 8.43073 -17.2697 0.914349 GPRESSURE: 3835000 -79.2781 -161.737 -7.60863 -148.931 63.2109 -16.4733 43.1242 -53.671 44.6909 PRESSAVG: 3835000 -18.5281 19.1848 -15.2779 19.1848 14.8219 -37.2894 -15.2779 -37.2892 -18.132 GPRESSAVG: 3835000 -18.7474 17.8541 -13.8686 17.3336 14.6695 -35.9675 -17.3965 -37.6902 -18.0591 TIMING: 3835000 CPU: 11109.7, 0.00287188/step Wall: 11109.7, 0.00287188/step, 0.929371 hours remaining, 211.382812 MB of memory in use. ENERGY: 3835000 769.9321 2072.9648 1952.2231 120.5066 -206292.7581 17909.0496 0.0000 0.0000 34197.1750 -149270.9067 298.6524 -183468.0817 -149177.0318 298.8194 -19.9691 9.5412 557486.7540 -7.2794 -7.3790 PRESSURE: 3835200 89.3467 -39.3983 95.1745 -39.3976 -266.802 33.6721 95.1759 33.6716 -28.9083 GPRESSURE: 3835200 65.1161 -65.5612 -4.55886 -108.033 -277.135 26.7276 166.637 7.01733 99.2504 PRESSAVG: 3835200 42.3965 -14.3832 -1.45095 -14.3832 -30.736 31.4728 -1.45094 31.4727 -30.2014 GPRESSAVG: 3835200 42.1592 -12.1679 -2.38219 -13.1416 -31.074 31.1496 0.366339 33.3629 -29.649 TIMING: 3835200 CPU: 11110.2, 0.00287822/step Wall: 11110.2, 0.00287822/step, 0.931265 hours remaining, 211.382812 MB of memory in use. ENERGY: 3835200 766.1922 2056.4140 1963.6144 114.3470 -205697.0385 17467.9461 0.0000 0.0000 34157.6203 -149170.9045 298.3070 -183328.5247 -149072.8479 299.1415 -68.7878 -37.5895 557098.8838 -6.1803 -6.1879 PRESSURE: 3835400 110.806 2.42717 -67.1141 2.42694 231.375 -90.5778 -67.113 -90.579 -38.8086 GPRESSURE: 3835400 136.56 101.217 -50.6879 -22.8995 272.455 -82.6672 3.36239 -96.5832 -19.6105 PRESSAVG: 3835400 5.76222 31.5718 41.5336 31.5718 12.6788 33.2402 41.5336 33.2401 -28.0272 GPRESSAVG: 3835400 7.14132 29.9037 42.8178 31.8834 12.8253 34.4979 40.6967 31.0952 -29.8834 TIMING: 3835400 CPU: 11110.8, 0.00285964/step Wall: 11110.8, 0.00285964/step, 0.925092 hours remaining, 211.382812 MB of memory in use. ENERGY: 3835400 725.3673 2049.0942 1966.1671 105.4180 -206315.6935 17925.5597 0.0000 0.0000 34187.8621 -149356.2251 298.5711 -183544.0872 -149266.5483 298.2754 101.1241 129.8015 557963.1747 -3.1954 -3.3056 PRESSURE: 3835600 106.912 147.163 -9.41318 147.162 202.332 -28.2293 -9.4138 -28.2292 -49.6857 GPRESSURE: 3835600 148.202 171.967 40.2868 82.8831 239.548 -59.491 -81.2088 -4.48969 -25.1334 PRESSAVG: 3835600 0.275708 43.0287 -23.1097 43.0287 26.261 -44.0758 -23.1097 -44.0757 23.4264 GPRESSAVG: 3835600 -0.83009 44.0938 -23.5097 39.6021 26.3889 -44.8906 -23.0631 -41.5078 24.2945 TIMING: 3835600 CPU: 11111.4, 0.00285771/step Wall: 11111.4, 0.00285771/step, 0.92431 hours remaining, 211.382812 MB of memory in use. ENERGY: 3835600 723.2888 2081.9783 1968.0396 104.6597 -206363.5199 17995.3542 0.0000 0.0000 34299.7477 -149190.4516 299.5482 -183490.1993 -149093.0970 298.9274 86.5195 120.8724 558957.1709 16.6544 16.6178 PRESSURE: 3835800 4.41873 22.4884 67.9126 22.4888 -177.486 54.7076 67.9126 54.7054 -369.417 GPRESSURE: 3835800 0.230786 134.052 75.2949 30.3944 -105.629 14.2391 80.3066 106.482 -341.431 PRESSAVG: 3835800 50.8391 9.0413 -4.95339 9.04117 62.6605 -30.2713 -4.95328 -30.2713 -118.736 GPRESSAVG: 3835800 50.4652 9.78267 -5.34825 10.9864 62.3084 -30.4101 -6.02574 -31.8932 -118.491 TIMING: 3835800 CPU: 11111.9, 0.00287704/step Wall: 11111.9, 0.00287704/step, 0.930404 hours remaining, 211.382812 MB of memory in use. ENERGY: 3835800 771.5646 2136.6028 1954.5608 103.5655 -206189.3258 17792.3555 0.0000 0.0000 34237.1177 -149193.5589 299.0013 -183430.6766 -149092.6052 299.3079 -180.8281 -148.9429 560818.7531 -1.7455 -1.9058 PRESSURE: 3836000 -12.4246 -37.0482 137.52 -37.0493 -49.468 -5.93152 137.52 -5.93075 68.4262 GPRESSURE: 3836000 7.32697 46.504 139.077 -16.3134 28.331 -98.1705 156.984 35.1387 66.7555 PRESSAVG: 3836000 27.0097 -52.8796 9.45163 -52.8797 -5.69049 16.9835 9.45168 16.9836 -7.47078 GPRESSAVG: 3836000 27.9748 -53.4463 6.58396 -52.6224 -5.66996 18.1898 12.4413 17.2453 -8.53617 TIMING: 3836000 CPU: 11112.5, 0.00286575/step Wall: 11112.5, 0.00286575/step, 0.926591 hours remaining, 211.382812 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: 3836000 754.5650 2117.0131 1941.7137 100.6757 -206200.2021 17881.4585 0.0000 0.0000 34308.5160 -149096.2601 299.6248 -183404.7761 -149002.5630 299.4740 2.1779 34.1378 558185.9268 4.6161 4.5896 PRESSURE: 3836200 -11.4106 105.104 -22.971 105.106 -39.9487 -90.2986 -22.9718 -90.2997 -303.639 GPRESSURE: 3836200 6.55914 101.078 -85.5265 122.011 10.1347 -43.4999 -19.6073 -122.759 -273.245 PRESSAVG: 3836200 -15.5313 1.15245 -30.4534 1.15248 -6.08863 -3.05221 -30.4533 -3.05213 -4.97649 GPRESSAVG: 3836200 -16.3273 2.76506 -29.0731 -1.13742 -6.3817 -5.07467 -30.671 -3.82414 -4.13437 TIMING: 3836200 CPU: 11113.1, 0.00286863/step Wall: 11113.1, 0.00286862/step, 0.927363 hours remaining, 211.382812 MB of memory in use. ENERGY: 3836200 744.9211 2047.1908 1938.1490 102.5605 -205802.8980 17497.7572 0.0000 0.0000 34487.7975 -148984.5218 301.1905 -183472.3193 -148892.2069 299.5135 -118.3328 -85.5170 557718.7004 -8.8655 -8.9478 LDB: ============= START OF LOAD BALANCING ============== 11116.5 LDB: ============== END OF LOAD BALANCING =============== 11116.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11116.5 LDB: ============= START OF LOAD BALANCING ============== 11116.8 LDB: Largest compute 4773 load 0.023179 is 19.6% of average load 0.118090 LDB: Average compute 0.001730 is 1.5% of average load 0.118090 LDB: TIME 11116.8 LOAD: AVG 0.11809 MAX 0.178809 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.137 MB LDB: TIME 11116.8 LOAD: AVG 0.11809 MAX 0.178809 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.336 MB LDB: TIME 11116.8 LOAD: AVG 0.11809 MAX 0.178809 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.336 MB LDB: ============== END OF LOAD BALANCING =============== 11116.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11116.8 PRESSURE: 3836400 -55.7732 -69.633 -95.551 -69.6337 70.498 215.607 -95.5504 215.608 -61.9218 GPRESSURE: 3836400 -22.4595 -32.2102 -161.024 15.9043 139.962 156.86 -65.6519 214.047 -71.5725 PRESSAVG: 3836400 -6.50761 -13.5081 -28.7787 -13.508 36.3661 -32.5655 -28.7786 -32.5655 -20.3782 GPRESSAVG: 3836400 -5.82018 -13.5965 -30.4497 -12.4092 36.5361 -31.2568 -30.6592 -33.0417 -21.9676 TIMING: 3836400 CPU: 11113.7, 0.00295056/step Wall: 11113.7, 0.00295056/step, 0.953686 hours remaining, 209.835938 MB of memory in use. ENERGY: 3836400 767.6488 2071.2717 1912.7229 104.1588 -205988.3766 17805.1718 0.0000 0.0000 34211.3975 -149116.0050 298.7766 -183327.4025 -149016.5035 299.7573 -15.7323 15.3099 556944.1699 3.1601 2.9161 PRESSURE: 3836600 -38.9404 -121.694 -117.757 -121.695 286.362 -210.057 -117.757 -210.058 -138.727 GPRESSURE: 3836600 -9.78772 -190.862 -191.693 28.1888 350.478 -213.046 -48.7502 -187.087 -136.115 PRESSAVG: 3836600 -8.37772 34.0963 18.1324 34.0962 18.5478 -1.81778 18.1324 -1.81769 -31.1901 GPRESSAVG: 3836600 -11.0812 30.8353 20.9795 37.0242 18.4742 -1.70038 17.0929 0.0434441 -28.9088 TIMING: 3836600 CPU: 11114.3, 0.00288902/step Wall: 11114.3, 0.00288902/step, 0.933636 hours remaining, 209.835938 MB of memory in use. ENERGY: 3836600 758.0303 2081.3350 1946.2302 114.1999 -206045.7235 17846.5548 0.0000 0.0000 34305.6459 -148993.7274 299.5997 -183299.3733 -148896.9613 298.9738 36.2315 68.1917 557694.8605 -7.0067 -7.1720 PRESSURE: 3836800 340.866 217.64 3.59097 217.64 -168.841 -5.0597 3.59132 -5.06133 169.448 GPRESSURE: 3836800 356.299 306.991 -100.397 153.772 -163.608 23.8665 60.824 -13.4111 237.732 PRESSAVG: 3836800 0.10683 20.8952 -29.8426 20.8952 -22.9374 -20.6116 -29.8425 -20.6115 28.1472 GPRESSAVG: 3836800 1.0063 22.8778 -32.8023 19.7131 -22.5938 -22.1445 -28.5493 -20.9901 26.8139 TIMING: 3836800 CPU: 11114.8, 0.00288975/step Wall: 11114.8, 0.00288975/step, 0.93371 hours remaining, 209.835938 MB of memory in use. ENERGY: 3836800 724.8194 2072.6225 1939.7804 114.5577 -206230.9842 17899.0275 0.0000 0.0000 34605.1106 -148875.0662 302.2150 -183480.1767 -148779.0833 299.5272 113.8246 143.4746 558239.6643 1.7722 1.7421 PRESSURE: 3837000 -307.499 59.9296 56.5031 59.9291 4.99615 -173.905 56.503 -173.906 -100.682 GPRESSURE: 3837000 -348.648 4.03446 135.542 55.961 88.3652 -120.461 -12.6595 -175.8 -56.2456 PRESSAVG: 3837000 -119.815 6.77746 -0.550942 6.77746 68.4054 -18.2505 -0.550991 -18.2505 22.9176 GPRESSAVG: 3837000 -119.582 7.25076 0.17887 6.81933 68.2983 -17.3294 -0.500176 -17.8139 22.6338 TIMING: 3837000 CPU: 11115.4, 0.00288024/step Wall: 11115.4, 0.00288024/step, 0.930479 hours remaining, 209.835938 MB of memory in use. ENERGY: 3837000 770.8968 2117.3494 1928.5451 108.7104 -205655.7725 17630.6690 0.0000 0.0000 34206.8552 -148892.7466 298.7370 -183099.6019 -148797.7134 299.9982 -134.3947 -105.5094 559217.7068 -9.4974 -9.5501 PRESSURE: 3837200 252.957 -117.902 93.8824 -117.905 38.7083 -4.22198 93.8841 -4.22183 108.789 GPRESSURE: 3837200 302.354 -142.825 142.006 -2.81724 67.0932 -127.438 10.1262 49.4712 122.365 PRESSAVG: 3837200 2.99249 -0.864457 33.0759 -0.864406 -11.1244 -12.4122 33.076 -12.4124 21.0272 GPRESSAVG: 3837200 2.53202 -0.790536 32.9684 -1.02591 -10.129 -13.6999 33.1217 -11.2135 21.2177 TIMING: 3837200 CPU: 11116, 0.00286471/step Wall: 11116, 0.00286471/step, 0.925303 hours remaining, 209.835938 MB of memory in use. ENERGY: 3837200 738.1131 2099.7449 1936.2297 120.2635 -206022.0641 17931.1550 0.0000 0.0000 34347.8760 -148848.6819 299.9685 -183196.5579 -148758.2802 299.8435 133.4850 163.9376 557483.4117 4.2984 4.5403 PRESSURE: 3837400 89.9963 -46.041 54.0453 -46.0415 115.437 81.8742 54.0469 81.8755 -92.1032 GPRESSURE: 3837400 195.355 -38.8349 152.662 -15.468 113.752 92.7267 34.1368 164.707 -83.6577 PRESSAVG: 3837400 44.0236 -12.6232 68.7284 -12.6233 28.0671 22.0083 68.7285 22.0082 -81.0662 GPRESSAVG: 3837400 43.7392 -13.2111 68.5459 -13.9617 27.3125 23.9122 69.538 19.3378 -79.6407 TIMING: 3837400 CPU: 11116.6, 0.00287875/step Wall: 11116.6, 0.00287875/step, 0.929677 hours remaining, 209.835938 MB of memory in use. ENERGY: 3837400 753.5335 2100.0022 1923.9140 102.6437 -206025.5420 17695.0569 0.0000 0.0000 34494.0086 -148956.3832 301.2448 -183450.3917 -148859.9324 299.9570 37.7768 75.1496 556832.5117 -2.9918 -2.8630 PRESSURE: 3837600 -189.193 -41.7363 244.638 -41.7374 -249.046 88.7915 244.639 88.794 8.53838 GPRESSURE: 3837600 -138.369 -20.4152 220.397 -77.4967 -229.717 54.0741 303.845 1.22646 31.2501 PRESSAVG: 3837600 27.5188 -43.8085 -18.1051 -43.8086 -53.4253 6.7688 -18.1051 6.7688 7.61004 GPRESSAVG: 3837600 28.285 -42.9206 -16.0364 -42.3721 -53.6514 7.5047 -19.8742 7.82556 6.663 TIMING: 3837600 CPU: 11117.1, 0.00286887/step Wall: 11117.1, 0.00286887/step, 0.926325 hours remaining, 209.835938 MB of memory in use. ENERGY: 3837600 750.2160 2088.4442 1940.2235 100.7440 -205512.0917 17362.5792 0.0000 0.0000 34146.4633 -149123.4214 298.2096 -183269.8847 -149027.9263 299.7218 -143.2335 -112.2786 557565.6415 -6.0988 -6.2345 PRESSURE: 3837800 105.928 -89.8422 -105.506 -89.8422 -91.0357 145.989 -105.507 145.989 38.7272 GPRESSURE: 3837800 164.908 -78.8203 -165.161 25.1614 -60.3231 142.402 -93.6619 145.008 42.4057 PRESSAVG: 3837800 -19.9632 12.2889 -8.9841 12.2887 8.38651 17.0668 -8.98405 17.0668 -21.2193 GPRESSAVG: 3837800 -18.9029 11.9339 -9.56063 14.2947 8.64785 16.9129 -8.56909 16.9822 -22.0899 TIMING: 3837800 CPU: 11117.7, 0.00288041/step Wall: 11117.7, 0.00288041/step, 0.929892 hours remaining, 209.835938 MB of memory in use. ENERGY: 3837800 753.9965 2122.8069 1958.8468 112.3122 -206265.0359 17891.9575 0.0000 0.0000 34281.3746 -149143.7414 299.3878 -183425.1160 -149047.0901 299.0296 17.8730 48.9968 558989.8359 -10.9320 -10.7817 PRESSURE: 3838000 -194.143 88.4398 56.3547 88.4395 -66.2406 37.3187 56.3542 37.3183 139.403 GPRESSURE: 3838000 -111.704 107.042 106.716 96.472 -76.1687 -21.0791 -66.3766 20.852 162.593 PRESSAVG: 3838000 15.0836 34.7237 -28.2595 34.7238 -6.33094 6.59218 -28.2595 6.59209 -27.0279 GPRESSAVG: 3838000 14.1731 34.2447 -28.2211 32.2837 -6.80109 6.13323 -28.6956 5.99054 -26.1113 TIMING: 3838000 CPU: 11118.3, 0.0028667/step Wall: 11118.3, 0.0028667/step, 0.925308 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3838000 759.9802 2061.6990 1912.0793 107.1801 -206292.7191 17948.6786 0.0000 0.0000 34106.3324 -149396.7695 297.8591 -183503.1019 -149293.8944 299.5137 -40.3268 -8.4263 559214.1235 -6.0918 -6.2464 PRESSURE: 3838200 -93.9829 33.2646 9.84525 33.2629 -49.7375 140.245 9.84425 140.247 -93.2876 GPRESSURE: 3838200 -48.3122 -80.438 -43.8701 74.2571 -20.5391 112.896 60.6707 115.116 -84.6261 PRESSAVG: 3838200 -32.451 -0.339903 -52.0994 -0.339869 33.7613 79.4052 -52.0994 79.4052 43.6692 GPRESSAVG: 3838200 -32.5727 1.03229 -50.7311 0.475442 32.971 80.2414 -53.9551 80.5643 44.5244 TIMING: 3838200 CPU: 11118.9, 0.002866/step Wall: 11118.9, 0.002866/step, 0.924921 hours remaining, 209.835938 MB of memory in use. ENERGY: 3838200 698.5564 2145.9636 1918.3647 97.6433 -206208.6336 17772.8890 0.0000 0.0000 34176.0292 -149399.1873 298.4678 -183575.2166 -149303.0455 298.9512 -79.0027 -51.1591 558344.7934 14.9932 14.9742 PRESSURE: 3838400 -46.4747 -43.6009 41.7735 -43.6015 226.676 14.867 41.7723 14.8642 -63.5694 GPRESSURE: 3838400 -13.5801 -34.3031 67.0683 -66.8601 247.829 0.18434 60.5672 -16.6679 -25.328 PRESSAVG: 3838400 9.90061 1.53319 -2.58175 1.53314 17.633 31.5531 -2.58183 31.553 -27.2561 GPRESSAVG: 3838400 10.258 1.66791 -5.06565 1.10835 18.2798 29.9059 -2.03164 30.1485 -28.107 TIMING: 3838400 CPU: 11119.4, 0.00285013/step Wall: 11119.4, 0.00285013/step, 0.919641 hours remaining, 209.835938 MB of memory in use. ENERGY: 3838400 766.3402 2031.8358 1912.8708 108.8442 -206351.7431 17914.0405 0.0000 0.0000 34194.5846 -149423.2269 298.6298 -183617.8115 -149324.7312 298.2233 38.8772 69.6403 556062.5186 0.0925 0.1436 PRESSURE: 3838600 -73.7369 -29.4402 -181.86 -29.4411 -129.919 102.86 -181.86 102.859 -142.081 GPRESSURE: 3838600 -64.4496 94.2855 -188.028 0.748539 -124.508 4.67394 -219.733 162.899 -62.2522 PRESSAVG: 3838600 -7.1273 35.5657 -29.747 35.5657 27.6926 39.1089 -29.747 39.109 -10.8675 GPRESSAVG: 3838600 -7.12757 33.185 -27.6472 37.9383 28.2114 39.445 -28.3242 40.2054 -11.3063 TIMING: 3838600 CPU: 11120, 0.00288318/step Wall: 11120, 0.00288318/step, 0.930146 hours remaining, 209.835938 MB of memory in use. ENERGY: 3838600 724.1943 2083.5510 1942.3581 104.1608 -206062.2508 17529.4954 0.0000 0.0000 34099.8392 -149578.6520 297.8024 -183678.4912 -149478.8892 298.7830 -115.2459 -83.7366 556519.3106 3.2326 3.2592 PRESSURE: 3838800 5.58901 -96.8477 -16.7217 -96.8485 -65.3306 -3.96445 -16.7207 -3.96524 -162.836 GPRESSURE: 3838800 39.7543 -44.8052 -8.08273 -140.459 0.719432 113.262 -46.7303 -12.9152 -167.173 PRESSAVG: 3838800 38.8275 27.0786 -22.6492 27.0786 19.3982 93.2272 -22.6491 93.2272 -41.6024 GPRESSAVG: 3838800 37.9396 30.3078 -21.9741 25.7603 20.3049 93.8088 -24.1141 91.859 -42.085 TIMING: 3838800 CPU: 11120.6, 0.00287258/step Wall: 11120.6, 0.00287258/step, 0.926566 hours remaining, 209.835938 MB of memory in use. ENERGY: 3838800 761.5063 2120.5847 1916.0506 109.5065 -206239.3643 17733.4828 0.0000 0.0000 34117.7458 -149480.4875 297.9588 -183598.2333 -149380.3055 298.1195 -74.1926 -42.2330 555495.4990 5.5411 5.3865 PRESSURE: 3839000 -109.051 44.7649 39.7456 44.7649 45.4457 189.162 39.7457 189.162 25.2316 GPRESSURE: 3839000 -70.4324 53.0914 66.7002 17.9494 66.5264 250.182 52.9655 79.918 56.1705 PRESSAVG: 3839000 -54.8739 -29.9421 -2.7413 -29.9421 34.6798 95.2001 -2.74132 95.2001 12.8945 GPRESSAVG: 3839000 -54.0353 -30.5015 -3.1985 -31.6016 32.617 93.9859 -2.05886 98.8131 13.5642 TIMING: 3839000 CPU: 11121.2, 0.00286048/step Wall: 11121.2, 0.00286048/step, 0.922506 hours remaining, 209.835938 MB of memory in use. ENERGY: 3839000 714.7233 2132.0240 1929.5669 109.9217 -206385.8728 17794.8251 0.0000 0.0000 34104.0879 -149600.7239 297.8395 -183704.8118 -149505.6749 298.2241 -12.7912 17.4215 556649.2948 -2.4332 -2.6180 PRESSURE: 3839200 203.651 145.465 -2.69138 145.463 -125.41 59.81 -2.69112 59.8078 -13.6167 GPRESSURE: 3839200 217.766 94.0705 37.2927 156.081 -97.1196 1.46077 -31.2295 97.7939 37.7983 PRESSAVG: 3839200 -51.3461 -8.11259 -24.8761 -8.11251 27.9598 53.4188 -24.8761 53.4187 43.9029 GPRESSAVG: 3839200 -52.0358 -10.1427 -25.5052 -6.49129 28.5731 54.1767 -24.1136 51.004 43.9983 TIMING: 3839200 CPU: 11121.7, 0.00287348/step Wall: 11121.7, 0.00287348/step, 0.926539 hours remaining, 209.835938 MB of memory in use. ENERGY: 3839200 722.2987 2085.4312 1926.6268 109.8915 -206401.4772 17909.0684 0.0000 0.0000 34130.9613 -149517.1994 298.0742 -183648.1607 -149426.4526 298.4797 21.5416 52.8150 557188.7303 6.8389 6.8452 PRESSURE: 3839400 32.4965 132.483 54.1957 132.485 243.971 -5.38847 54.1961 -5.38755 -42.3164 GPRESSURE: 3839400 78.3988 206.83 -12.4205 83.6993 254.727 -10.6658 38.2679 -66.5095 4.6983 PRESSAVG: 3839400 6.10051 -6.59932 -3.91298 -6.59927 3.2211 46.0614 -3.91294 46.0613 1.13325 GPRESSAVG: 3839400 5.89069 -6.0228 -4.50638 -6.79025 3.4093 46.1673 -5.17688 46.3246 1.34616 TIMING: 3839400 CPU: 11122.3, 0.002858/step Wall: 11122.3, 0.002858/step, 0.921386 hours remaining, 209.835938 MB of memory in use. ENERGY: 3839400 763.7955 2102.4845 1916.2690 102.2586 -206385.9157 18069.1028 0.0000 0.0000 34269.9711 -149162.0342 299.2882 -183432.0053 -149058.0220 299.1098 78.0504 112.6080 557990.9518 3.4850 3.5487 PRESSURE: 3839600 1.16861 -8.35459 21.3667 -8.35612 -169.959 -121.793 21.3667 -121.793 -184.6 GPRESSURE: 3839600 4.1321 -37.4587 -55.392 93.3919 -149.628 -91.4949 39.1223 -123.76 -117.238 PRESSAVG: 3839600 -20.8768 -8.31758 20.9932 -8.31758 9.22215 -36.7916 20.9932 -36.7918 -6.03243 GPRESSAVG: 3839600 -20.6639 -6.32635 21.2384 -9.74251 10.6123 -38.7319 21.6091 -37.0152 -7.91604 TIMING: 3839600 CPU: 11122.9, 0.00287958/step Wall: 11122.9, 0.00287958/step, 0.928186 hours remaining, 209.835938 MB of memory in use. ENERGY: 3839600 739.9905 2102.5674 1927.4089 119.4170 -206007.1153 17748.8997 0.0000 0.0000 34234.9078 -149133.9239 298.9820 -183368.8318 -149040.7462 299.4658 -117.7966 -87.5782 558063.1188 -5.8957 -5.9892 PRESSURE: 3839800 129.417 56.5291 145.827 56.5288 158.965 19.8044 145.827 19.803 202.224 GPRESSURE: 3839800 172.306 25.1641 244.42 26.0101 207.927 69.8445 126.292 -56.9488 220.364 PRESSAVG: 3839800 12.3315 -3.13013 38.637 -3.13007 -16.7012 15.5423 38.637 15.5423 13.2715 GPRESSAVG: 3839800 12.0287 -3.81304 38.5352 -1.35944 -17.5291 16.9764 37.9246 15.9721 15.2056 TIMING: 3839800 CPU: 11123.5, 0.00287639/step Wall: 11123.5, 0.00287639/step, 0.926997 hours remaining, 209.835938 MB of memory in use. ENERGY: 3839800 740.1739 2032.8810 1927.5063 108.6184 -206187.7893 18017.7238 0.0000 0.0000 34223.6048 -149137.2810 298.8833 -183360.8858 -149038.8834 299.3269 163.5353 200.1992 556940.8874 2.9673 3.2350 PRESSURE: 3840000 -110.066 -166.546 -66.8823 -166.547 -72.7731 -52.3745 -66.8827 -52.3743 -121.652 GPRESSURE: 3840000 -49.0893 -213.785 -46.3531 -206.911 -52.0865 -50.1696 -126.264 -175.535 -101.935 PRESSAVG: 3840000 5.60344 -18.5403 65.1868 -18.5402 1.51586 41.8051 65.1869 41.8051 10.4461 GPRESSAVG: 3840000 7.93495 -19.6949 64.2174 -19.6031 0.401704 42.7437 65.6144 41.0853 9.06001 TIMING: 3840000 CPU: 11124, 0.00286705/step Wall: 11124, 0.00286705/step, 0.923829 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3840000 742.0949 2067.3718 1949.7894 124.5334 -206286.4633 17878.0145 0.0000 0.0000 34343.3846 -149181.2746 299.9293 -183524.6592 -149085.8982 298.7050 -101.4970 -67.7037 557837.4374 5.8551 5.7989 PRESSURE: 3840200 -164.747 14.4868 16.3856 14.4869 -417.574 -25.0124 16.3854 -25.0121 -140.174 GPRESSURE: 3840200 -158.052 -88.4782 42.691 -59.2216 -364.013 -17.7324 -52.0981 -47.0218 -109.581 PRESSAVG: 3840200 -18.4345 -36.5456 -9.75088 -36.5456 16.493 40.6333 -9.75086 40.6332 -18.2475 GPRESSAVG: 3840200 -18.6922 -36.0312 -6.24228 -36.5134 16.3116 40.0753 -11.7832 39.3004 -17.43 TIMING: 3840200 CPU: 11124.6, 0.00286143/step Wall: 11124.6, 0.00286143/step, 0.921856 hours remaining, 209.835938 MB of memory in use. ENERGY: 3840200 743.6544 2046.3963 1949.9967 106.3430 -205664.3588 17484.7147 0.0000 0.0000 34229.7917 -149103.4621 298.9373 -183333.2538 -149011.3882 299.4601 -240.8320 -210.5485 558389.4187 -6.7297 -6.6035 LDB: ============= START OF LOAD BALANCING ============== 11128 LDB: ============== END OF LOAD BALANCING =============== 11128 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11128 LDB: ============= START OF LOAD BALANCING ============== 11128.3 LDB: Largest compute 4792 load 0.023568 is 19.9% of average load 0.118143 LDB: Average compute 0.001735 is 1.5% of average load 0.118143 LDB: TIME 11128.3 LOAD: AVG 0.118143 MAX 0.180334 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 11128.3 LOAD: AVG 0.118143 MAX 0.180334 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: TIME 11128.3 LOAD: AVG 0.118143 MAX 0.180334 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11128.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11128.3 PRESSURE: 3840400 -46.8193 -49.4629 -99.8059 -49.4641 239.465 129.849 -99.8065 129.847 49.4456 GPRESSURE: 3840400 2.28265 -107.906 -165.259 -14.4487 293.294 76.2553 -112.305 164.658 57.9538 PRESSAVG: 3840400 30.9089 -55.6404 -65.052 -55.6405 6.27575 5.80747 -65.052 5.80734 -38.4032 GPRESSAVG: 3840400 30.442 -56.0587 -69.6479 -54.5972 6.11362 5.65769 -63.6529 7.16863 -37.3563 TIMING: 3840400 CPU: 11125.2, 0.00290957/step Wall: 11125.2, 0.00290957/step, 0.937206 hours remaining, 211.121094 MB of memory in use. ENERGY: 3840400 745.9629 2069.4011 1950.3215 102.2365 -206278.5369 18026.5153 0.0000 0.0000 34414.6833 -148969.4162 300.5520 -183384.0995 -148862.9112 299.8686 80.6972 117.8435 558016.8492 -0.4062 -0.2669 PRESSURE: 3840600 102.056 49.826 67.9839 49.8262 225.741 53.8792 67.9827 53.8776 378.474 GPRESSURE: 3840600 128.033 72.0249 45.4563 56.835 269.009 66.9015 53.5731 7.91143 405.669 PRESSAVG: 3840600 -6.6712 0.756488 -58.3755 0.756439 -10.7026 13.4676 -58.3756 13.4676 9.4157 GPRESSAVG: 3840600 -6.91024 1.80319 -55.462 0.0633216 -8.89087 10.5108 -59.3608 14.0373 8.34758 TIMING: 3840600 CPU: 11125.7, 0.0028427/step Wall: 11125.7, 0.0028427/step, 0.915508 hours remaining, 211.324219 MB of memory in use. ENERGY: 3840600 687.4383 2115.1033 1962.4568 130.8804 -206136.9761 17971.0641 0.0000 0.0000 34443.5714 -148826.4617 300.8043 -183270.0331 -148726.1557 300.1539 235.4237 267.5704 557546.6930 -2.6527 -2.4845 PRESSURE: 3840800 -82.9005 98.102 142.652 98.1003 -169.93 -50.3953 142.652 -50.3939 -150.354 GPRESSURE: 3840800 -91.4989 92.2701 203.141 110.012 -127.853 -7.85205 25.0764 -64.8941 -93.159 PRESSAVG: 3840800 49.6581 -22.684 20.2102 -22.6841 -14.6372 9.34109 20.2102 9.34113 3.46073 GPRESSAVG: 3840800 48.4861 -22.8676 18.9684 -24.0267 -14.0766 13.4323 22.3438 8.56393 4.2419 TIMING: 3840800 CPU: 11126.3, 0.00285475/step Wall: 11126.3, 0.00285475/step, 0.91923 hours remaining, 211.324219 MB of memory in use. ENERGY: 3840800 747.8904 2061.0053 1960.3078 115.0395 -205627.0401 17542.0759 0.0000 0.0000 34324.4263 -148876.2948 299.7638 -183200.7211 -148783.1728 300.5933 -134.3949 -104.1703 559098.6222 12.8272 12.8838 PRESSURE: 3841000 4.38771 -46.0446 36.9408 -46.0446 -136.341 60.0707 36.9399 60.0698 43.5597 GPRESSURE: 3841000 40.9912 -94.0765 3.13741 -68.6762 -148.94 41.8981 41.7036 59.0192 119.174 PRESSAVG: 3841000 32.1435 -5.88021 -1.18305 -5.88013 5.34991 -47.9359 -1.18309 -47.9358 -18.2125 GPRESSAVG: 3841000 34.2316 -6.18848 -2.85956 -6.08444 4.20075 -48.879 -2.8609 -47.018 -17.9823 TIMING: 3841000 CPU: 11126.9, 0.00285102/step Wall: 11126.9, 0.00285102/step, 0.917869 hours remaining, 211.324219 MB of memory in use. ENERGY: 3841000 785.6272 2038.2229 1928.4729 100.6499 -205879.6412 17784.2572 0.0000 0.0000 34396.5076 -148845.9036 300.3933 -183242.4112 -148743.7107 299.7986 -29.4646 3.7418 557166.7350 6.4270 6.8167 PRESSURE: 3841200 8.62356 64.8998 165.194 64.9016 -47.731 -168.074 165.194 -168.075 -156.19 GPRESSURE: 3841200 47.821 49.2035 202.64 62.086 -15.7318 -153.755 125.782 -122.7 -132.007 PRESSAVG: 3841200 33.6837 28.6249 -8.57935 28.6249 -13.099 -19.5275 -8.57932 -19.5276 14.6249 GPRESSAVG: 3841200 32.3156 30.5018 -6.90523 29.5496 -12.0053 -20.0828 -6.58496 -19.9026 14.3307 TIMING: 3841200 CPU: 11127.5, 0.00288957/step Wall: 11127.5, 0.00288957/step, 0.93012 hours remaining, 211.324219 MB of memory in use. ENERGY: 3841200 748.4410 2100.6769 1898.7986 112.9109 -205654.4751 17613.4201 0.0000 0.0000 34383.5832 -148796.6445 300.2804 -183180.2277 -148707.7464 300.0445 -65.0991 -33.3059 557588.3490 11.7365 11.5470 PRESSURE: 3841400 -156.312 -45.0263 7.63348 -45.0265 -123.169 19.8941 7.63277 19.8943 -244.955 GPRESSURE: 3841400 -148.617 -19.2825 -15.9446 -100.202 -84.0238 53.8075 -72.3335 -76.188 -193.194 PRESSAVG: 3841400 -42.3091 25.1223 20.8797 25.1222 -0.977667 -24.7706 20.8796 -24.7706 7.34734 GPRESSAVG: 3841400 -41.6755 23.338 22.9294 25.2361 -1.90829 -23.0058 18.3765 -24.5041 7.65957 TIMING: 3841400 CPU: 11128, 0.00286043/step Wall: 11128, 0.00286043/step, 0.920582 hours remaining, 211.324219 MB of memory in use. ENERGY: 3841400 725.5103 2092.5595 1937.1533 111.7812 -205622.3475 17526.8128 0.0000 0.0000 34311.6375 -148916.8931 299.6521 -183228.5305 -148821.4919 300.5174 -174.8117 -141.9451 558312.7927 -11.9798 -11.9747 PRESSURE: 3841600 -224.712 -93.0544 270.573 -93.0555 -99.6584 43.2481 270.575 43.2486 -354.528 GPRESSURE: 3841600 -260.959 -83.3402 310.592 -78.0402 -13.1534 90.3785 174.805 -23.4456 -309.273 PRESSAVG: 3841600 -33.1671 -53.8847 25.2267 -53.8847 67.4226 6.31767 25.2268 6.31769 -44.2942 GPRESSAVG: 3841600 -32.1496 -55.2376 24.6204 -52.6873 67.0568 3.97788 25.7938 7.45772 -44.5135 TIMING: 3841600 CPU: 11128.6, 0.00287313/step Wall: 11128.6, 0.00287313/step, 0.924508 hours remaining, 211.324219 MB of memory in use. ENERGY: 3841600 749.2132 2074.9700 1948.2403 122.1466 -205608.6986 17382.8468 0.0000 0.0000 34375.0533 -148956.2286 300.2059 -183331.2818 -148858.0695 300.0943 -226.2994 -194.4616 558139.7108 -3.3462 -3.2021 PRESSURE: 3841800 154.764 74.7206 76.624 74.7196 -73.4513 68.7977 76.6232 68.7979 124.568 GPRESSURE: 3841800 259.375 78.6662 46.1442 42.1867 -45.01 78.7813 129.394 64.3183 86.9212 PRESSAVG: 3841800 20.0834 -21.1084 58.4137 -21.1083 -4.18357 -41.3244 58.4137 -41.3243 -9.16549 GPRESSAVG: 3841800 19.7098 -21.085 57.7896 -22.4312 -3.94821 -40.0521 60.303 -42.4665 -9.07871 TIMING: 3841800 CPU: 11129.2, 0.00286936/step Wall: 11129.2, 0.00286936/step, 0.923138 hours remaining, 211.324219 MB of memory in use. ENERGY: 3841800 742.2038 2062.7201 1948.6700 128.9883 -206504.2703 18083.9141 0.0000 0.0000 34427.3204 -149110.4536 300.6624 -183537.7740 -149015.5307 299.2153 68.6270 100.4287 558515.3858 2.2448 2.2276 PRESSURE: 3842000 13.4735 -119.585 147.941 -119.585 168.267 -7.31743 147.94 -7.31875 -145.241 GPRESSURE: 3842000 87.4013 -34.4935 180.683 -182.072 113.651 -29.4173 162.096 57.3559 -58.2114 PRESSAVG: 3842000 18.7345 42.7699 25.5411 42.7698 -22.9759 -4.65662 25.5412 -4.65674 -12.2414 GPRESSAVG: 3842000 19.0076 44.3872 25.1061 43.2307 -22.86 -3.33591 24.8475 -5.61774 -11.8584 TIMING: 3842000 CPU: 11129.8, 0.00286588/step Wall: 11129.8, 0.00286588/step, 0.921859 hours remaining, 211.324219 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: 3842000 765.7288 2092.9417 1931.7615 118.5791 -206051.4728 17855.3297 0.0000 0.0000 34214.4561 -149072.6758 298.8034 -183287.1320 -148978.6641 299.9305 12.1665 47.6135 557258.8040 -5.4943 -5.2369 PRESSURE: 3842200 -34.3837 7.31416 73.6086 7.31372 -253.452 186.772 73.6074 186.771 -147.206 GPRESSURE: 3842200 19.9997 1.11977 67.0282 17.0494 -270.823 259.356 59.1459 113.653 -82.9167 PRESSAVG: 3842200 -56.7474 -22.5823 -4.71442 -22.5824 26.4668 -55.3803 -4.71437 -55.3802 -13.7446 GPRESSAVG: 3842200 -56.7162 -22.0909 -3.36339 -24.0177 26.4349 -55.8724 -5.78451 -54.3313 -13.8774 TIMING: 3842200 CPU: 11130.3, 0.00286836/step Wall: 11130.3, 0.00286836/step, 0.922496 hours remaining, 211.324219 MB of memory in use. ENERGY: 3842200 786.7429 2069.7399 1970.6793 114.4682 -205907.5572 17588.8908 0.0000 0.0000 34327.5792 -149049.4569 299.7913 -183377.0360 -148953.9340 300.2604 -145.0141 -111.2466 556305.1106 -14.6751 -14.7196 PRESSURE: 3842400 2.75657 -50.5113 -126.419 -50.5107 -135.826 87.1453 -126.419 87.1458 -37.6855 GPRESSURE: 3842400 16.1778 -36.9146 -94.8197 -139.197 -114.569 52.3298 -67.7431 97.5665 25.6987 PRESSAVG: 3842400 -7.96441 12.7551 -17.958 12.7553 15.2603 33.9737 -17.9579 33.9738 35.3987 GPRESSAVG: 3842400 -8.19652 13.1914 -18.8635 10.8426 14.7018 31.0324 -17.9934 34.9807 36.3821 TIMING: 3842400 CPU: 11130.9, 0.00286074/step Wall: 11130.9, 0.00286074/step, 0.919888 hours remaining, 211.324219 MB of memory in use. ENERGY: 3842400 704.9895 2115.1042 1948.8674 101.6261 -205857.7730 17608.7591 0.0000 0.0000 34299.4983 -149078.9284 299.5460 -183378.4267 -148979.2965 300.1587 -56.9183 -24.2310 557010.9127 14.2315 14.2958 PRESSURE: 3842600 -36.9 128.265 -47.8399 128.265 200.665 77.4133 -47.8412 77.4132 120.891 GPRESSURE: 3842600 3.563 57.5169 13.7612 148.718 275.342 85.3575 -126.699 81.8927 109.213 PRESSAVG: 3842600 -55.27 -11.9176 -10.1889 -11.9175 3.01576 16.4179 -10.1888 16.4179 45.9456 GPRESSAVG: 3842600 -53.9811 -13.3202 -12.1175 -8.66962 4.52402 19.1935 -10.351 15.827 43.7421 TIMING: 3842600 CPU: 11131.5, 0.00286898/step Wall: 11131.5, 0.00286898/step, 0.922376 hours remaining, 211.324219 MB of memory in use. ENERGY: 3842600 726.9071 2082.2173 1911.2986 118.1673 -206045.5126 17864.2828 0.0000 0.0000 34197.2955 -149145.3439 298.6535 -183342.6395 -149044.2225 299.0503 94.8855 129.3729 556971.9945 -2.1029 -1.9050 PRESSURE: 3842800 -189.135 -170.315 -49.9446 -170.316 162.983 132.056 -49.9444 132.058 -11.6389 GPRESSURE: 3842800 -133.766 -164.291 -77.2195 -95.7264 193.124 78.1272 -43.4135 114.131 8.23175 PRESSAVG: 3842800 -10.8121 -23.4434 25.8572 -23.4434 -27.2929 7.08146 25.8573 7.08146 27.2987 GPRESSAVG: 3842800 -11.4464 -21.7307 26.1996 -26.0658 -27.744 6.18548 26.464 7.33823 28.4427 TIMING: 3842800 CPU: 11132.1, 0.00285852/step Wall: 11132.1, 0.00285852/step, 0.918857 hours remaining, 211.324219 MB of memory in use. ENERGY: 3842800 735.1411 2075.4611 1918.3037 119.1868 -206199.2006 17807.6436 0.0000 0.0000 34184.5114 -149358.9529 298.5418 -183543.4643 -149264.4506 298.7956 -12.5969 22.5299 556434.2101 -3.6021 -3.5826 PRESSURE: 3843000 63.2937 -2.22309 53.214 -2.22255 -71.759 -136.964 53.2143 -136.965 -171.603 GPRESSURE: 3843000 83.3593 -53.597 133.307 -11.1628 -25.8303 -86.5971 48.0976 -149.489 -156.13 PRESSAVG: 3843000 -30.3156 -30.5347 13.4625 -30.5347 48.3568 106.093 13.4625 106.093 -2.66616 GPRESSAVG: 3843000 -31.4341 -32.5791 13.9267 -28.4707 49.5576 106.027 14.2461 107.652 -2.45496 TIMING: 3843000 CPU: 11132.6, 0.00290405/step Wall: 11132.6, 0.00290405/step, 0.933329 hours remaining, 211.324219 MB of memory in use. ENERGY: 3843000 736.8327 2056.4739 1964.4035 111.9311 -206451.0676 17805.9367 0.0000 0.0000 34389.2652 -149386.2245 300.3300 -183775.4897 -149292.9894 298.7299 -60.0228 -32.8672 555879.9099 5.1250 5.2228 PRESSURE: 3843200 38.354 -78.9207 -133.336 -78.9205 193.176 180.465 -133.338 180.467 6.06153 GPRESSURE: 3843200 82.0985 -198.245 -212.519 -103.262 232.931 251.84 -183.177 139.715 4.53018 PRESSAVG: 3843200 -34.1225 -58.4696 28.2541 -58.4696 29.0875 4.82156 28.2541 4.82165 26.643 GPRESSAVG: 3843200 -33.8796 -59.462 28.5866 -56.483 28.3007 5.82673 26.821 3.58654 27.4504 TIMING: 3843200 CPU: 11133.2, 0.00285666/step Wall: 11133.2, 0.00285666/step, 0.91794 hours remaining, 211.324219 MB of memory in use. ENERGY: 3843200 724.9935 2075.1292 1961.5409 121.1943 -206209.7669 17806.2632 0.0000 0.0000 34239.1779 -149281.4680 299.0193 -183520.6458 -149186.0003 299.8320 79.1972 106.5200 556591.6193 7.2027 7.2905 PRESSURE: 3843400 56.5079 -85.3948 57.2142 -85.3951 70.503 151.237 57.2153 151.236 69.4664 GPRESSURE: 3843400 139.699 -132.886 -34.5774 -20.7556 94.7942 156.156 50.1366 176.175 55.3967 PRESSAVG: 3843400 -53.0129 -39.4504 21.0137 -39.4504 20.4001 49.6563 21.0137 49.6562 -3.72725 GPRESSAVG: 3843400 -51.5422 -37.2182 20.0759 -43.3313 20.0023 48.447 23.3806 51.9377 -4.67664 TIMING: 3843400 CPU: 11133.8, 0.00287625/step Wall: 11133.8, 0.00287625/step, 0.924075 hours remaining, 211.324219 MB of memory in use. ENERGY: 3843400 742.7061 2108.3287 1946.9413 102.7161 -206730.9741 18150.0713 0.0000 0.0000 34319.0389 -149361.1718 299.7167 -183680.2107 -149270.4392 298.9610 65.4924 96.6299 556591.0154 -12.1133 -12.0722 PRESSURE: 3843600 115.445 182.553 89.1204 182.552 60.6313 -174.824 89.1219 -174.826 331.123 GPRESSURE: 3843600 79.8964 102.482 126.881 177.431 95.511 -256.8 86.9614 -28.1051 411.413 PRESSAVG: 3843600 -13.4463 8.56146 48.1067 8.56153 7.30654 32.2149 48.1067 32.2149 21.1144 GPRESSAVG: 3843600 -12.5517 9.685 48.2212 7.75223 7.33452 33.582 47.7332 30.9996 20.6309 TIMING: 3843600 CPU: 11134.4, 0.00289522/step Wall: 11134.4, 0.00289522/step, 0.930009 hours remaining, 211.324219 MB of memory in use. ENERGY: 3843600 755.7059 2021.2476 1949.2709 123.5306 -206419.9608 17990.4417 0.0000 0.0000 34017.5723 -149562.1916 297.0839 -183579.7640 -149465.8643 299.0411 169.0663 195.6068 556161.7611 4.9916 5.1379 PRESSURE: 3843800 -125.646 -126.376 106.731 -126.376 335.779 54.3105 106.732 54.3114 -67.8474 GPRESSURE: 3843800 -95.3635 -101.025 28.4203 -66.6761 378.392 78.5156 118.179 0.54462 -45.1147 PRESSAVG: 3843800 -52.7154 -17.6623 32.6901 -17.6623 54.0662 -31.6062 32.6901 -31.6061 28.3822 GPRESSAVG: 3843800 -53.7612 -19.4777 32.4432 -15.3032 55.2628 -31.8062 30.8736 -31.1884 29.3438 TIMING: 3843800 CPU: 11134.9, 0.00287894/step Wall: 11134.9, 0.00287894/step, 0.924619 hours remaining, 211.324219 MB of memory in use. ENERGY: 3843800 719.5614 2070.1085 1909.4637 112.6465 -206103.4595 17745.5512 0.0000 0.0000 34009.3838 -149536.7444 297.0124 -183546.1281 -149439.2179 298.4435 47.4285 79.3046 557013.6639 9.9110 10.2818 PRESSURE: 3844000 77.242 19.4889 58.6288 19.4885 93.1641 -70.1145 58.6286 -70.114 158.379 GPRESSURE: 3844000 127.172 12.0767 -72.6232 -12.6048 107.463 -136.334 84.4349 -38.012 190.059 PRESSAVG: 3844000 -34.6262 45.0272 40.3192 45.027 0.0749336 13.493 40.3193 13.493 21.6136 GPRESSAVG: 3844000 -34.5093 44.3619 39.7885 44.0716 0.292919 13.1278 40.9144 14.0838 20.7481 TIMING: 3844000 CPU: 11135.5, 0.00286367/step Wall: 11135.5, 0.00286367/step, 0.919556 hours remaining, 211.324219 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: 3844000 774.1892 2107.3468 1929.5016 113.1528 -206528.3690 17957.0208 0.0000 0.0000 34255.5560 -149391.6018 299.1623 -183647.1578 -149293.8855 297.9331 109.5951 141.5644 555223.6694 -4.3126 -4.4894 PRESSURE: 3844200 -67.4495 110.261 -47.2931 110.26 179.393 -73.5806 -47.2922 -73.5803 5.40177 GPRESSURE: 3844200 13.2914 77.1849 -107.278 75.7525 117.183 -122.392 33.9965 -53.7612 89.0694 PRESSAVG: 3844200 74.5677 -9.94445 -2.86862 -9.94452 -82.0764 -2.37277 -2.86859 -2.37274 10.8323 GPRESSAVG: 3844200 73.9443 -9.65382 -0.970328 -10.3263 -82.4231 -3.70395 -3.82632 -4.83072 12.0024 TIMING: 3844200 CPU: 11136.1, 0.00286228/step Wall: 11136.1, 0.00286228/step, 0.918951 hours remaining, 211.324219 MB of memory in use. ENERGY: 3844200 760.1132 2181.5896 1944.4984 120.7342 -206080.5353 17834.0582 0.0000 0.0000 34018.8717 -149220.6701 297.0953 -183239.5418 -149124.1517 298.6010 39.1151 73.1814 556709.4464 1.1079 1.1745 LDB: ============= START OF LOAD BALANCING ============== 11139.5 LDB: ============== END OF LOAD BALANCING =============== 11139.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11139.5 LDB: ============= START OF LOAD BALANCING ============== 11139.8 LDB: Largest compute 4773 load 0.023381 is 19.8% of average load 0.118044 LDB: Average compute 0.001733 is 1.5% of average load 0.118044 LDB: TIME 11139.8 LOAD: AVG 0.118044 MAX 0.180141 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.922 MB LDB: TIME 11139.8 LOAD: AVG 0.118044 MAX 0.180141 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.125 MB LDB: TIME 11139.8 LOAD: AVG 0.118044 MAX 0.180141 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.125 MB LDB: ============== END OF LOAD BALANCING =============== 11139.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11139.8 PRESSURE: 3844400 -6.59275 -71.2386 -29.9971 -71.2385 -103.385 20.5088 -29.9984 20.51 -64.8546 GPRESSURE: 3844400 53.0485 -53.1901 -78.5502 -22.5004 -86.6457 23.1487 31.8568 72.8198 -38.6155 PRESSAVG: 3844400 -56.4508 -15.8652 -50.4395 -15.8651 25.2187 -10.6996 -50.4396 -10.6995 0.348607 GPRESSAVG: 3844400 -56.5207 -16.3276 -50.7887 -15.3631 25.0057 -9.63997 -49.7874 -11.3323 1.07361 TIMING: 3844400 CPU: 11136.7, 0.00294241/step Wall: 11136.7, 0.00294241/step, 0.944512 hours remaining, 210.351562 MB of memory in use. ENERGY: 3844400 704.4662 2096.2613 1944.5564 109.9418 -206151.5382 17649.2128 0.0000 0.0000 34313.9892 -149333.1105 299.6726 -183647.0997 -149232.5489 299.0375 -58.2774 -24.0709 557031.1836 -10.2945 -10.1471 PRESSURE: 3844600 -73.8318 -161.458 -57.1747 -161.458 -64.6788 -11.1281 -57.1748 -11.129 116.796 GPRESSURE: 3844600 -23.9809 -193.588 -41.1776 -218.687 -46.9392 22.5658 -23.0472 -18.2065 158.989 PRESSAVG: 3844600 -22.9874 12.9872 -46.2684 12.9873 -75.6146 41.3544 -46.2685 41.3544 93.015 GPRESSAVG: 3844600 -22.9322 13.4769 -45.492 12.5823 -75.1846 41.6743 -47.2543 43.0809 92.8633 TIMING: 3844600 CPU: 11137.2, 0.0028766/step Wall: 11137.2, 0.0028766/step, 0.923229 hours remaining, 210.351562 MB of memory in use. ENERGY: 3844600 759.7159 2139.1182 1921.2634 115.5533 -206489.2794 17945.0412 0.0000 0.0000 34232.5517 -149376.0358 298.9614 -183608.5875 -149278.3307 299.0789 -7.2382 29.3562 558173.2482 -1.8623 -1.7512 PRESSURE: 3844800 45.0704 -8.54382 -13.7682 -8.54482 -74.0114 -60.7439 -13.7686 -60.7419 181.932 GPRESSURE: 3844800 63.2956 63.9477 -6.10862 -18.0023 -27.6664 -126.249 -72.6586 -62.5778 222.035 PRESSAVG: 3844800 -9.14416 -5.72486 -84.5568 -5.72482 -63.6318 48.9336 -84.5568 48.9334 1.23064 GPRESSAVG: 3844800 -10.562 -5.61995 -87.1605 -7.60292 -63.3679 50.1936 -83.8236 46.8632 2.54642 TIMING: 3844800 CPU: 11137.8, 0.00287227/step Wall: 11137.8, 0.00287227/step, 0.921679 hours remaining, 210.351562 MB of memory in use. ENERGY: 3844800 738.4575 2063.9694 1913.1819 104.9339 -206220.4596 17980.8472 0.0000 0.0000 33935.9363 -149483.1333 296.3710 -183419.0696 -149387.8885 298.5832 50.9970 85.8881 557401.6238 -23.8485 -23.7945 PRESSURE: 3845000 304.402 106.608 39.1563 106.607 121.948 33.3541 39.1572 33.3525 16.4078 GPRESSURE: 3845000 336.866 143.152 -20.4906 63.062 152.153 56.3546 21.9401 16.6078 59.3005 PRESSAVG: 3845000 26.4074 -47.379 -27.2453 -47.379 -25.823 64.3546 -27.2454 64.3545 55.298 GPRESSAVG: 3845000 28.8629 -45.2032 -26.4365 -45.9725 -26.412 61.4964 -25.9014 65.6256 53.2677 TIMING: 3845000 CPU: 11138.4, 0.00285619/step Wall: 11138.4, 0.00285619/step, 0.91636 hours remaining, 210.351562 MB of memory in use. ENERGY: 3845000 764.7735 2128.6269 1902.5992 116.2197 -206310.9580 18032.8110 0.0000 0.0000 33959.8658 -149406.0619 296.5800 -183365.9277 -149305.2207 298.5026 147.5858 182.7732 556994.5158 18.6275 18.5728 PRESSURE: 3845200 -87.5268 -34.1607 -146.219 -34.162 -159.639 181.804 -146.22 181.804 -137.133 GPRESSURE: 3845200 -44.4611 28.1569 -157.417 -122.236 -173.193 161.971 -115.639 168.911 -63.7034 PRESSAVG: 3845200 28.5102 -13.7233 -27.3167 -13.7233 -1.9972 67.0248 -27.3166 67.0248 -43.631 GPRESSAVG: 3845200 28.9516 -15.8727 -25.7431 -12.1331 -2.9767 67.4006 -29.7734 68.8569 -43.0764 TIMING: 3845200 CPU: 11139, 0.00285198/step Wall: 11139, 0.00285198/step, 0.914851 hours remaining, 210.351562 MB of memory in use. ENERGY: 3845200 767.2555 2090.9830 1928.6502 105.2991 -206310.3845 17651.0574 0.0000 0.0000 34303.3355 -149463.8038 299.5796 -183767.1392 -149368.7493 297.9215 -128.0996 -93.7858 556458.4571 -5.7060 -5.7005 PRESSURE: 3845400 -20.8841 -26.719 44.3152 -26.7196 -36.279 -78.6124 44.3143 -78.6123 -136.729 GPRESSURE: 3845400 -4.14545 -38.6118 154.804 -4.57335 16.0412 -103.017 49.7597 -143.946 -108.658 PRESSAVG: 3845400 -24.616 -57.1603 -26.3571 -57.1602 58.5061 5.30391 -26.3571 5.30386 -38.8999 GPRESSAVG: 3845400 -26.7043 -57.9541 -25.8712 -56.7817 59.7523 8.01325 -25.8888 2.07394 -37.8318 TIMING: 3845400 CPU: 11139.5, 0.0028706/step Wall: 11139.5, 0.0028706/step, 0.920665 hours remaining, 210.351562 MB of memory in use. ENERGY: 3845400 725.8898 2079.2299 1935.1441 119.4855 -205912.1457 17613.0503 0.0000 0.0000 34003.8352 -149435.5109 296.9639 -183439.3460 -149336.8087 298.1795 -64.6306 -32.2540 556894.0364 -1.6699 -1.5946 PRESSURE: 3845600 199.393 29.6568 -29.414 29.6577 -251.231 -138.711 -29.4117 -138.713 -51.7241 GPRESSURE: 3845600 204.572 66.8352 -78.5251 -17.4244 -177.539 -143.707 17.786 -126.361 -42.7169 PRESSAVG: 3845600 40.296 60.7843 12.4644 60.7843 -9.76333 -22.6637 12.4645 -22.6636 -38.2918 GPRESSAVG: 3845600 41.4649 63.3309 10.7126 57.856 -9.61188 -25.7989 13.9565 -22.117 -39.3717 TIMING: 3845600 CPU: 11140.1, 0.00287154/step Wall: 11140.1, 0.00287154/step, 0.920806 hours remaining, 210.351562 MB of memory in use. ENERGY: 3845600 744.4225 1998.9214 1929.9355 107.0583 -206304.3073 17798.6822 0.0000 0.0000 34264.5798 -149460.7077 299.2411 -183725.2875 -149361.0812 298.9260 -34.5207 -5.2279 558262.5532 -2.5864 -2.5062 PRESSURE: 3845800 -167.616 111.592 -202.019 111.591 -52.8592 -49.8651 -202.021 -49.8652 -100.876 GPRESSURE: 3845800 -74.7913 110.01 -269.835 56.34 -17.7326 -30.7454 -150.341 -23.0404 -112.116 PRESSAVG: 3845800 19.8762 36.923 8.78902 36.923 -61.6268 -68.0469 8.78895 -68.0469 6.05962 GPRESSAVG: 3845800 19.8826 34.5166 8.49 38.7544 -60.7697 -66.0947 8.89556 -67.3253 5.44779 TIMING: 3845800 CPU: 11140.7, 0.00287116/step Wall: 11140.7, 0.00287116/step, 0.920526 hours remaining, 210.351562 MB of memory in use. ENERGY: 3845800 730.1399 2063.2746 1940.6687 110.5934 -206059.0825 17685.4116 0.0000 0.0000 34165.5028 -149363.4916 298.3758 -183528.9944 -149267.0183 298.3976 -107.1172 -68.2133 559421.0346 -11.8970 -11.8131 PRESSURE: 3846000 -102.684 -70.2713 149.328 -70.2713 -15.0108 68.9007 149.329 68.9002 -402.282 GPRESSURE: 3846000 -124.888 -31.9599 155.404 -43.0352 23.6035 -22.6797 121.954 79.43 -333.387 PRESSAVG: 3846000 4.99724 26.8268 -13.7552 26.8267 37.8613 -25.0708 -13.7552 -25.0708 4.44715 GPRESSAVG: 3846000 4.71039 27.3304 -14.4508 27.053 36.3107 -27.139 -14.0307 -24.1557 5.38354 TIMING: 3846000 CPU: 11141.3, 0.00288632/step Wall: 11141.3, 0.00288632/step, 0.925227 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3846000 749.8570 2059.0250 1940.0245 119.0291 -206175.3235 17718.4323 0.0000 0.0000 34259.6719 -149329.2837 299.1982 -183588.9556 -149225.9200 299.3059 -173.3256 -144.8905 559327.1348 15.7686 15.4682 PRESSURE: 3846200 -130.991 -56.1069 -23.1842 -56.1078 -160.993 68.0127 -23.185 68.0134 -153.753 GPRESSURE: 3846200 -119.519 8.35127 -25.4496 -90.8614 -76.3814 70.4324 32.9726 27.2679 -152.56 PRESSAVG: 3846200 -68.9769 11.2477 -9.95595 11.2477 52.2173 -33.2751 -9.95598 -33.2753 34.2831 GPRESSAVG: 3846200 -68.91 9.57453 -9.3816 11.1909 53.6326 -32.4332 -9.27936 -34.2522 32.7367 TIMING: 3846200 CPU: 11141.8, 0.0028799/step Wall: 11141.8, 0.0028799/step, 0.923009 hours remaining, 210.351562 MB of memory in use. ENERGY: 3846200 732.7109 2017.4989 1928.8651 108.4630 -205897.5806 17612.1951 0.0000 0.0000 34152.3501 -149345.4974 298.2610 -183497.8475 -149246.0693 298.5353 -148.5788 -116.1534 558097.9552 5.8411 5.8198 PRESSURE: 3846400 44.4505 -66.8605 19.4175 -66.8599 -32.9053 -132.198 19.4191 -132.198 -67.7418 GPRESSURE: 3846400 70.1037 -119.722 9.40941 8.41208 26.276 -119.616 77.3626 -86.301 -54.0078 PRESSAVG: 3846400 -77.0347 4.92662 -54.2732 4.92666 59.0226 -31.2266 -54.2731 -31.2266 9.63753 GPRESSAVG: 3846400 -77.4087 4.90823 -52.4694 5.23657 57.9194 -31.1586 -53.4374 -32.4791 10.7165 TIMING: 3846400 CPU: 11142.4, 0.0028788/step Wall: 11142.4, 0.00287881/step, 0.922497 hours remaining, 210.351562 MB of memory in use. ENERGY: 3846400 743.8109 2055.6310 1923.3315 119.9322 -206152.5059 17911.8419 0.0000 0.0000 34096.0696 -149301.8888 297.7695 -183397.9584 -149207.4174 298.0607 -18.7322 14.1240 558059.5114 -2.7915 -2.9243 PRESSURE: 3846600 -60.4819 36.7644 63.2679 36.7634 -224.003 -66.0088 63.2679 -66.0076 179.363 GPRESSURE: 3846600 -32.1371 -26.6679 42.4544 38.5632 -179.714 -33.5338 37.9657 -77.791 219.953 PRESSAVG: 3846600 -12.6686 12.2567 -28.2238 12.2567 7.57389 -21.8383 -28.2239 -21.8383 25.5107 GPRESSAVG: 3846600 -12.3375 14.4828 -27.7439 10.7452 6.84612 -20.6719 -27.1753 -21.1287 26.2117 TIMING: 3846600 CPU: 11143, 0.00288301/step Wall: 11143, 0.00288301/step, 0.923685 hours remaining, 210.351562 MB of memory in use. ENERGY: 3846600 752.8332 2070.7337 1946.5102 118.6327 -206327.2772 17934.8680 0.0000 0.0000 34177.6641 -149326.0353 298.4820 -183503.6994 -149237.2278 299.1530 -35.0405 2.7005 558943.4887 6.8053 6.9067 PRESSURE: 3846800 -27.8662 -0.69077 10.0514 -0.691523 -277.762 -78.6637 10.051 -78.6641 -116.61 GPRESSURE: 3846800 -0.417648 -37.1028 -5.92109 47.0842 -265.28 -98.1904 -61.7 -62.4535 -60.8153 PRESSAVG: 3846800 10.7622 32.4999 30.6235 32.4999 -67.5737 -2.96736 30.6235 -2.96729 28.1108 GPRESSAVG: 3846800 9.58073 29.6356 28.7585 33.9027 -66.4294 -2.03555 28.0177 -1.65556 27.9418 TIMING: 3846800 CPU: 11143.6, 0.00288671/step Wall: 11143.6, 0.00288671/step, 0.924709 hours remaining, 210.351562 MB of memory in use. ENERGY: 3846800 750.3415 2081.8548 1964.1868 128.4034 -206101.3233 17673.1393 0.0000 0.0000 34325.2086 -149178.1890 299.7706 -183503.3975 -149076.3628 298.2894 -140.7462 -108.8377 560003.1155 -9.5669 -9.6356 PRESSURE: 3847000 2.1044 -27.8256 -72.6102 -27.8255 -19.7827 -115.483 -72.6107 -115.483 -52.7423 GPRESSURE: 3847000 60.0188 -0.13484 -66.4854 16.7921 31.6553 -61.7371 -113.918 -64.9647 -75.712 PRESSAVG: 3847000 -28.4706 60.1534 -63.2355 60.1534 -5.18843 27.4528 -63.2354 27.4528 46.5525 GPRESSAVG: 3847000 -27.9885 60.8057 -62.3328 60.165 -4.81024 24.8433 -61.6969 27.8019 45.4411 TIMING: 3847000 CPU: 11144.1, 0.00288975/step Wall: 11144.1, 0.00288975/step, 0.925521 hours remaining, 210.351562 MB of memory in use. ENERGY: 3847000 701.4159 2069.2098 1961.5702 115.9220 -205863.7027 17768.6924 0.0000 0.0000 34193.0186 -149053.8738 298.6161 -183246.8924 -148961.3255 299.2006 -23.4735 5.3207 560016.2786 4.2978 4.2141 PRESSURE: 3847200 159.977 52.5343 61.9804 52.5349 -308.068 152.929 61.9795 152.928 -299.867 GPRESSURE: 3847200 137.261 121.085 36.6362 -40.6333 -266.474 102.554 4.07221 133.581 -229.478 PRESSAVG: 3847200 -3.78341 -7.06437 -27.4568 -7.06449 -38.9825 40.2033 -27.4568 40.2031 -2.62063 GPRESSAVG: 3847200 -3.01587 -5.79154 -29.3132 -7.46315 -38.3263 39.7735 -27.7465 41.5961 -4.09397 TIMING: 3847200 CPU: 11144.7, 0.00288894/step Wall: 11144.7, 0.00288894/step, 0.925102 hours remaining, 210.351562 MB of memory in use. ENERGY: 3847200 719.6827 2074.4257 1920.4645 117.4643 -205825.1136 17710.7207 0.0000 0.0000 34120.1020 -149162.2535 297.9793 -183282.3556 -149066.8780 299.3259 -149.3194 -119.5634 560067.8290 -15.1288 -15.1454 PRESSURE: 3847400 -105.332 -45.2505 114.083 -45.25 -28.0256 153.684 114.083 153.683 -359.478 GPRESSURE: 3847400 -43.0582 -112.446 96.2537 -26.722 9.18193 207.312 164.791 156.725 -365.748 PRESSAVG: 3847400 11.5259 74.1011 -14.6341 74.1012 -22.8288 67.0813 -14.6342 67.0814 -11.0929 GPRESSAVG: 3847400 10.4646 72.8579 -15.1088 75.4737 -23.3811 67.6918 -14.6948 66.907 -9.29636 TIMING: 3847400 CPU: 11145.3, 0.00290637/step Wall: 11145.3, 0.00290637/step, 0.930523 hours remaining, 210.351562 MB of memory in use. ENERGY: 3847400 753.6916 2079.9539 1958.0097 115.1974 -205715.2531 17618.0054 0.0000 0.0000 34047.8092 -149142.5858 297.3480 -183190.3950 -149048.6549 299.3988 -164.2786 -133.2080 559981.2341 -7.4653 -7.4043 PRESSURE: 3847600 220.608 -55.6296 -30.5422 -55.6282 -63.316 80.2159 -30.5446 80.2141 152.973 GPRESSURE: 3847600 278.768 -76.7879 2.00678 -98.35 14.0821 189.21 -88.609 28.4671 125 PRESSAVG: 3847600 -78.3164 -103.676 20.8681 -103.676 38.978 24.9766 20.868 24.9765 11.0829 GPRESSAVG: 3847600 -78.8189 -103.275 22.6241 -104.545 38.7302 26.5702 20.7689 22.3875 12.1457 TIMING: 3847600 CPU: 11145.9, 0.00286556/step Wall: 11145.9, 0.00286556/step, 0.917296 hours remaining, 210.472656 MB of memory in use. ENERGY: 3847600 714.5150 2088.9116 1961.9674 123.9098 -206380.3845 18133.3866 0.0000 0.0000 34183.0735 -149174.6207 298.5293 -183357.6942 -149083.6437 299.4849 103.4215 139.2833 559017.6800 -9.4185 -9.3143 PRESSURE: 3847800 286.175 -79.734 152.042 -79.7343 226.499 30.6848 152.041 30.685 138.317 GPRESSURE: 3847800 263.153 -168.781 148.408 11.0463 258.759 -34.2933 110.216 84.2403 223.478 PRESSAVG: 3847800 -12.006 -15.6844 71.157 -15.6844 -40.4346 24.0303 71.1572 24.0302 24.534 GPRESSAVG: 3847800 -11.8222 -17.8586 70.9551 -13.6408 -40.7131 23.14 68.7834 25.8491 24.5743 TIMING: 3847800 CPU: 11146.4, 0.0028559/step Wall: 11146.4, 0.0028559/step, 0.914045 hours remaining, 210.472656 MB of memory in use. ENERGY: 3847800 737.2474 2096.2036 1964.0891 108.6565 -206382.1385 18116.9926 0.0000 0.0000 34287.3068 -149071.6424 299.4396 -183358.9493 -148989.8992 299.0862 216.9970 248.4633 558306.1430 -9.3022 -9.3203 PRESSURE: 3848000 60.1238 5.26393 -58.198 5.26483 107.405 119.3 -58.1976 119.3 197.668 GPRESSURE: 3848000 99.0376 -0.205161 -67.3766 52.223 140.069 182.639 1.27279 95.7735 228.682 PRESSAVG: 3848000 64.5823 -38.0574 7.31574 -38.0574 -39.5045 -38.9311 7.31562 -38.9311 38.6041 GPRESSAVG: 3848000 65.4172 -36.5257 6.51649 -40.9877 -39.7555 -39.0935 10.4475 -38.6612 38.4261 TIMING: 3848000 CPU: 11147, 0.00285321/step Wall: 11147, 0.00285321/step, 0.913026 hours remaining, 210.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3848000 747.2335 2145.3673 1960.0693 109.9902 -206384.6957 18164.4836 0.0000 0.0000 34178.7000 -149078.8517 298.4911 -183257.5518 -148987.3520 299.4585 121.7323 155.9297 559164.4651 21.2273 21.3626 PRESSURE: 3848200 -173.988 25.4902 -39.2634 25.4912 -93.9622 -2.9284 -39.2642 -2.93025 134.877 GPRESSURE: 3848200 -94.2257 39.579 8.96549 24.4947 -56.5121 -36.5801 -72.1666 23.0704 116.085 PRESSAVG: 3848200 -5.13873 -1.83643 -32.0762 -1.83643 3.885 -11.3173 -32.0763 -11.3172 -38.9736 GPRESSAVG: 3848200 -5.83743 -2.85826 -30.8574 0.50532 4.97168 -10.1361 -33.8188 -12.094 -39.2076 TIMING: 3848200 CPU: 11147.6, 0.00284692/step Wall: 11147.6, 0.00284692/step, 0.910858 hours remaining, 210.472656 MB of memory in use. ENERGY: 3848200 750.7908 2143.1683 1941.3213 108.5258 -205835.4324 17869.0876 0.0000 0.0000 34180.2581 -148842.2806 298.5047 -183022.5387 -148745.0649 300.6309 -44.3580 -11.5510 560357.3991 -13.4091 -13.3578 LDB: ============= START OF LOAD BALANCING ============== 11151 LDB: ============== END OF LOAD BALANCING =============== 11151 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11151 LDB: ============= START OF LOAD BALANCING ============== 11151.3 LDB: Largest compute 4792 load 0.023973 is 20.3% of average load 0.118067 LDB: Average compute 0.001730 is 1.5% of average load 0.118067 LDB: TIME 11151.3 LOAD: AVG 0.118067 MAX 0.180081 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.117 MB LDB: TIME 11151.3 LOAD: AVG 0.118067 MAX 0.180081 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.316 MB LDB: TIME 11151.3 LOAD: AVG 0.118067 MAX 0.180081 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11151.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11151.3 PRESSURE: 3848400 -15.3671 -65.5479 71.4689 -65.5486 247.182 -75.2336 71.4692 -75.2318 72.5959 GPRESSURE: 3848400 6.77097 -55.2301 96.6646 -7.2527 270.34 -32.2558 50.73 -32.6899 132.143 PRESSAVG: 3848400 0.667639 44.6831 33.891 44.6832 -37.1048 -53.1388 33.891 -53.1389 -15.1753 GPRESSAVG: 3848400 -0.0495894 46.2224 34.6367 40.2997 -36.8703 -53.2717 32.9141 -52.3148 -14.5746 TIMING: 3848400 CPU: 11148.2, 0.00289993/step Wall: 11148.2, 0.00289993/step, 0.927655 hours remaining, 211.632812 MB of memory in use. ENERGY: 3848400 750.3479 2064.8216 1951.8171 107.6192 -205962.3925 17897.6622 0.0000 0.0000 34137.6672 -149052.4573 298.1327 -183190.1245 -148944.7112 300.3773 101.4702 136.4179 558114.8281 -17.2041 -17.1649 PRESSURE: 3848600 155.407 -42.0867 19.1349 -42.0873 94.8709 -9.39686 19.1338 -9.39818 -30.1859 GPRESSURE: 3848600 154.102 61.7103 109.44 -164.107 167.94 -45.7805 15.6178 -12.5104 -0.162831 PRESSAVG: 3848600 -1.48392 -5.32105 42.4997 -5.32105 -27.1506 16.3555 42.4997 16.3555 52.5465 GPRESSAVG: 3848600 -0.864474 -5.63489 41.8799 -3.55199 -28.0466 14.1128 44.082 17.8297 52.7857 TIMING: 3848600 CPU: 11148.7, 0.00285129/step Wall: 11148.7, 0.00285129/step, 0.911936 hours remaining, 211.835938 MB of memory in use. ENERGY: 3848600 779.1072 2071.1631 1945.3975 114.0220 -206679.3412 18071.5864 0.0000 0.0000 34627.7548 -149070.3102 302.4128 -183698.0650 -148968.7232 299.6419 73.3640 107.2928 557640.1387 7.9706 7.9582 PRESSURE: 3848800 199.576 59.5267 -91.1105 59.5264 107.774 36.2557 -91.1114 36.2554 95.8897 GPRESSURE: 3848800 191.104 87.5689 -68.645 -10.9817 203.083 124.298 -69.8018 -65.2098 105.791 PRESSAVG: 3848800 -5.93189 -13.5641 27.8724 -13.5641 39.0386 7.9854 27.8724 7.98536 -16.7797 GPRESSAVG: 3848800 -6.91612 -12.8995 25.46 -13.8019 40.4184 7.3215 27.9508 4.78011 -17.6058 TIMING: 3848800 CPU: 11149.3, 0.0028583/step Wall: 11149.3, 0.0028583/step, 0.91402 hours remaining, 211.835938 MB of memory in use. ENERGY: 3848800 772.0758 2080.2347 1915.4567 113.6850 -206156.7991 17992.2357 0.0000 0.0000 34315.4957 -148967.6156 299.6858 -183283.1113 -148876.8767 299.9891 134.4134 166.6593 557588.9096 5.4423 5.2988 PRESSURE: 3849000 -78.6336 76.1871 25.0323 76.1883 360.024 -98.9846 25.0318 -98.984 219.701 GPRESSURE: 3849000 29.4325 71.1834 55.7971 87.4792 372.953 -125.236 -4.87288 -27.4254 205.573 PRESSAVG: 3849000 17.4952 30.83 -13.3815 30.83 -26.2114 -13.6956 -13.3816 -13.6956 32.4223 GPRESSAVG: 3849000 18.478 30.7515 -12.0485 31.5557 -27.299 -13.1084 -13.9981 -12.1153 33.0195 TIMING: 3849000 CPU: 11149.9, 0.00287081/step Wall: 11149.9, 0.00287081/step, 0.917863 hours remaining, 211.835938 MB of memory in use. ENERGY: 3849000 738.6628 2125.9075 1948.8557 112.3140 -206263.1642 17911.1091 0.0000 0.0000 34432.6164 -148993.6986 300.7086 -183426.3149 -148898.0348 299.7917 167.0303 202.6526 556931.7334 7.9020 8.0662 PRESSURE: 3849200 -6.93361 -50.106 43.0147 -50.1051 -120.94 78.6813 43.015 78.6816 -19.7606 GPRESSURE: 3849200 1.74546 -70.3505 17.1616 -38.9398 -95.2614 76.7217 14.4938 153.894 50.5771 PRESSAVG: 3849200 13.9588 -30.0495 25.1247 -30.0494 17.9192 19.7594 25.1246 19.7594 -25.3236 GPRESSAVG: 3849200 14.9714 -30.9634 25.9684 -31.5111 17.3795 20.6957 25.7414 18.0099 -25.5954 TIMING: 3849200 CPU: 11150.5, 0.00286754/step Wall: 11150.5, 0.00286754/step, 0.916657 hours remaining, 211.835938 MB of memory in use. ENERGY: 3849200 764.4067 2069.6639 1960.5890 101.2863 -206168.3562 17887.7159 0.0000 0.0000 34403.9051 -148980.7893 300.4579 -183384.6944 -148881.3366 300.0209 -49.2113 -14.3129 558395.4866 2.1848 2.2518 PRESSURE: 3849400 111.775 -132.326 56.74 -132.325 41.1354 67.5217 56.7407 67.5209 -88.4446 GPRESSURE: 3849400 190.344 -55.4728 110.295 -131.451 17.1995 9.5955 20.4071 44.8019 -40.7691 PRESSAVG: 3849400 25.5367 -49.7606 -20.9595 -49.7605 32.0535 53.1563 -20.9594 53.1564 -80.4836 GPRESSAVG: 3849400 25.9573 -50.1128 -20.2659 -48.861 32.3524 50.3869 -20.5276 56.7646 -80.9787 TIMING: 3849400 CPU: 11151, 0.00285993/step Wall: 11151, 0.00285993/step, 0.914065 hours remaining, 212.039062 MB of memory in use. ENERGY: 3849400 694.3478 2069.0483 1970.3617 104.4798 -206132.1284 17854.9786 0.0000 0.0000 34371.6728 -149067.2393 300.1764 -183438.9121 -148969.0361 299.5261 21.4887 55.5915 558516.3787 -7.6311 -7.5563 PRESSURE: 3849600 -200.585 93.5885 -21.0668 93.5892 -389.33 101.654 -21.0681 101.656 -267.308 GPRESSURE: 3849600 -176.61 107.033 -33.6347 61.2903 -409.215 71.2023 -19.8569 63.1471 -165.772 PRESSAVG: 3849600 -5.73805 -23.9567 -38.474 -23.9568 9.05435 -6.09046 -38.474 -6.09056 47.9997 GPRESSAVG: 3849600 -6.65857 -23.2187 -38.0319 -22.476 9.88058 -2.57224 -38.5937 -7.80318 48.6732 TIMING: 3849600 CPU: 11151.6, 0.00285569/step Wall: 11151.6, 0.00285569/step, 0.912551 hours remaining, 212.039062 MB of memory in use. ENERGY: 3849600 732.2625 2045.7992 1968.7085 104.0977 -205629.6715 17263.7663 0.0000 0.0000 34265.3270 -149249.7104 299.2476 -183515.0373 -149146.8383 299.1606 -285.7411 -250.5323 558705.6330 17.1053 17.2984 PRESSURE: 3849800 121.186 21.7564 -218.894 21.7568 77.6957 -81.4025 -218.894 -81.4041 -15.447 GPRESSURE: 3849800 170.409 135.442 -267.145 -93.5392 76.7522 31.919 -206.892 -100.067 34.7621 PRESSAVG: 3849800 -24.3235 -30.2486 -53.3543 -30.2486 -50.4981 -26.9966 -53.3543 -26.9966 32.8153 GPRESSAVG: 3849800 -24.7287 -29.301 -55.4965 -31.3321 -51.35 -27.4375 -53.613 -29.124 33.5418 TIMING: 3849800 CPU: 11152.2, 0.00286846/step Wall: 11152.2, 0.00286846/step, 0.916474 hours remaining, 212.039062 MB of memory in use. ENERGY: 3849800 723.0381 2062.0382 1949.9526 116.8168 -206370.0608 17849.8624 0.0000 0.0000 34206.7978 -149461.5550 298.7365 -183668.3528 -149366.5211 298.3316 61.1449 93.9744 556166.3137 -14.0021 -14.1790 PRESSURE: 3850000 -115.065 10.3347 -34.6787 10.3353 -121.164 63.9742 -34.6781 63.9741 93.7382 GPRESSURE: 3850000 -72.1312 43.147 -25.8043 -63.7597 -129.019 141.701 -57.8681 -18.0107 133.443 PRESSAVG: 3850000 -26.423 -1.23992 19.4296 -1.23991 39.9439 -3.44703 19.4296 -3.44715 -24.2675 GPRESSAVG: 3850000 -25.2113 -1.05902 20.2793 -1.15025 40.2448 -2.82806 19.342 -4.68414 -26.0091 TIMING: 3850000 CPU: 11152.7, 0.00286877/step Wall: 11152.7, 0.00286877/step, 0.916412 hours remaining, 212.039062 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: 3850000 730.9810 2106.5123 1949.2471 126.2064 -206433.1853 17893.7267 0.0000 0.0000 34264.2505 -149362.2613 299.2382 -183626.5118 -149266.0718 298.9535 -47.4970 -22.5689 556914.3826 -3.5822 -3.6585 PRESSURE: 3850200 -56.4798 196.21 21.9783 196.21 -33.2234 -49.3391 21.9781 -49.3389 138.66 GPRESSURE: 3850200 -3.37697 212.237 27.1035 208.517 2.78156 -11.6016 9.62943 58.1611 153.319 PRESSAVG: 3850200 -26.4694 -20.945 28.4458 -20.9451 -16.0498 -3.78173 28.4457 -3.78181 108.903 GPRESSAVG: 3850200 -27.6017 -22.2436 28.6429 -20.5563 -13.2625 -4.85401 28.8338 -0.689733 107.563 TIMING: 3850200 CPU: 11153.3, 0.00289041/step Wall: 11153.3, 0.00289041/step, 0.923166 hours remaining, 212.039062 MB of memory in use. ENERGY: 3850200 761.5237 2105.0622 1952.2770 116.7208 -206732.3532 17928.2763 0.0000 0.0000 34489.7667 -149378.7266 301.2077 -183868.4932 -149279.7415 299.0739 16.3190 50.9077 555948.3309 22.1279 22.2331 PRESSURE: 3850400 29.6093 153.635 -8.96984 153.636 136.804 -150.434 -8.97007 -150.434 53.5535 GPRESSURE: 3850400 24.1654 112.588 46.8137 174.816 183.82 -70.4431 -54.4307 -246.88 100.826 PRESSAVG: 3850400 -0.202499 42.977 14.2444 42.977 -56.3694 -19.0036 14.2444 -19.0036 66.9934 GPRESSAVG: 3850400 -0.268791 42.4015 16.6744 44.0586 -58.2482 -18.7903 12.687 -21.7358 69.1755 TIMING: 3850400 CPU: 11153.9, 0.00286471/step Wall: 11153.9, 0.00286471/step, 0.914798 hours remaining, 212.039062 MB of memory in use. ENERGY: 3850400 733.0385 2146.9020 1952.3017 118.0236 -206409.3153 17871.3652 0.0000 0.0000 34405.3192 -149182.3651 300.4702 -183587.6843 -149084.8949 298.9133 73.3223 102.9370 556993.0909 3.4738 3.5528 PRESSURE: 3850600 -211.467 -97.1319 -33.9986 -97.1309 67.2674 8.18513 -33.9985 8.18476 273.779 GPRESSURE: 3850600 -186.679 -7.42702 26.313 -151.655 143.491 -0.361171 -127.358 -39.6049 267.192 PRESSAVG: 3850600 -74.6881 -17.3992 -8.60336 -17.3992 68.9614 -61.0794 -8.60332 -61.0794 -6.42305 GPRESSAVG: 3850600 -73.7539 -14.8362 -10.6138 -20.3452 69.3575 -62.4896 -8.53283 -59.9532 -6.73578 TIMING: 3850600 CPU: 11154.5, 0.0028372/step Wall: 11154.5, 0.0028372/step, 0.905854 hours remaining, 212.039062 MB of memory in use. ENERGY: 3850600 730.1677 2115.0072 1943.3237 115.1620 -206105.9941 17781.6167 0.0000 0.0000 34194.7784 -149225.9384 298.6315 -183420.7168 -149132.8408 299.1779 43.1931 74.6684 557673.9356 -4.0499 -3.7107 PRESSURE: 3850800 43.6986 99.7073 -31.4624 99.7067 80.4664 -34.6041 -31.4627 -34.6035 -157.392 GPRESSURE: 3850800 57.3241 30.9505 -6.71284 72.6538 103.603 17.9778 13.8562 -51.6718 -85.3199 PRESSAVG: 3850800 -15.2383 2.06221 8.4549 2.06231 -7.01206 -4.39917 8.45489 -4.39894 22.1957 GPRESSAVG: 3850800 -16.0953 0.205091 6.57483 6.09507 -6.26388 -3.47602 11.6416 -4.67043 22.3762 TIMING: 3850800 CPU: 11155, 0.00287124/step Wall: 11155, 0.00287124/step, 0.916565 hours remaining, 212.039062 MB of memory in use. ENERGY: 3850800 771.4878 2086.7853 1930.9845 116.7187 -205719.3595 17673.7864 0.0000 0.0000 34134.0099 -149005.5869 298.1008 -183139.5968 -148919.7311 299.5740 -11.0758 25.2024 557813.9422 -0.0182 0.0057 PRESSURE: 3851000 -197.305 -35.8807 -2.37782 -35.8806 38.1342 -130.512 -2.37891 -130.511 85.9401 GPRESSURE: 3851000 -188.049 -8.30322 62.7411 -41.9105 63.391 -65.4693 36.8763 -183.812 137.11 PRESSAVG: 3851000 0.0399571 27.0979 -27.0247 27.098 -55.034 -11.4148 -27.0246 -11.4147 54.6126 GPRESSAVG: 3851000 0.484768 27.3252 -24.8069 24.8982 -56.1224 -11.2636 -28.5044 -11.07 55.1938 TIMING: 3851000 CPU: 11155.6, 0.00288046/step Wall: 11155.6, 0.00288046/step, 0.919346 hours remaining, 212.039062 MB of memory in use. ENERGY: 3851000 745.5925 2127.8295 1924.3388 108.1452 -206179.5948 17813.0357 0.0000 0.0000 34374.2270 -149086.4261 300.1987 -183460.6531 -148990.4190 298.7060 -24.4103 4.1507 557703.7463 -0.1272 -0.1479 PRESSURE: 3851200 188.331 -29.7447 -125.537 -29.7443 122.099 -90.3492 -125.537 -90.3487 31.1349 GPRESSURE: 3851200 237.141 5.81716 -111.052 -57.4564 148.251 -27.0062 -100.404 -79.8461 54.841 PRESSAVG: 3851200 -11.5254 -23.2702 26.0802 -23.2702 18.9915 -52.4957 26.0803 -52.4957 14.2225 GPRESSAVG: 3851200 -11.8614 -22.0095 23.7178 -21.8685 19.144 -53.4039 27.4694 -53.0305 14.9931 TIMING: 3851200 CPU: 11156.2, 0.00287245/step Wall: 11156.2, 0.00287245/step, 0.91663 hours remaining, 212.039062 MB of memory in use. ENERGY: 3851200 755.4828 2160.9867 1932.9232 116.0807 -206627.6071 18174.0307 0.0000 0.0000 34415.8968 -149072.2063 300.5626 -183488.1031 -148973.7685 299.2911 113.8550 146.7441 557521.8105 7.2295 7.4252 PRESSURE: 3851400 -89.6732 128.099 93.3495 128.1 -13.84 -19.0423 93.3503 -19.0439 230.031 GPRESSURE: 3851400 -79.0099 122.067 80.3312 169.456 -3.09327 -22.0923 158.975 19.9891 291.806 PRESSAVG: 3851400 -75.9552 -3.22387 -57.3271 -3.22387 -18.5806 -12.1414 -57.327 -12.1415 95.9769 GPRESSAVG: 3851400 -76.0883 -3.06302 -53.8785 -5.11523 -18.0148 -10.4968 -61.7015 -12.9151 95.7173 TIMING: 3851400 CPU: 11156.8, 0.00286241/step Wall: 11156.8, 0.00286241/step, 0.913266 hours remaining, 212.039062 MB of memory in use. ENERGY: 3851400 803.3859 2068.7146 1939.9228 114.0420 -206433.3274 18032.7880 0.0000 0.0000 34421.7593 -149052.7149 300.6138 -183474.4741 -148955.3751 299.5834 42.1725 69.9009 558350.8841 0.4804 0.5380 PRESSURE: 3851600 -646.593 -22.0911 -66.2921 -22.0911 -330.86 -50.4716 -66.2928 -50.4703 -106.76 GPRESSURE: 3851600 -540.215 -31.5197 -104.649 22.241 -352.28 -2.89216 -111.946 -46.0059 -95.3724 PRESSAVG: 3851600 -23.3608 2.34031 16.1653 2.34021 26.5033 -8.86513 16.1653 -8.86516 18.2032 GPRESSAVG: 3851600 -21.2059 1.38126 13.7898 4.03502 24.3291 -8.13015 19.0168 -9.00774 17.995 TIMING: 3851600 CPU: 11157.3, 0.00286887/step Wall: 11157.3, 0.00286887/step, 0.915169 hours remaining, 212.039062 MB of memory in use. ENERGY: 3851600 803.7156 2063.0704 1929.7140 123.9847 -205931.3623 17587.4212 0.0000 0.0000 34392.6574 -149030.7990 300.3596 -183423.4564 -148935.2336 299.8716 -361.4041 -329.2889 560066.5823 7.1152 7.0394 PRESSURE: 3851800 53.6575 -142.423 74.1884 -142.422 56.9876 230.345 74.189 230.345 148.351 GPRESSURE: 3851800 61.8951 -173.098 67.0113 -110.605 63.9282 286.668 116.226 163.638 215.48 PRESSAVG: 3851800 -24.5742 50.2595 38.37 50.2596 -16.857 9.57217 38.37 9.57219 20.0014 GPRESSAVG: 3851800 -25.1736 51.2385 38.6092 46.9528 -15.371 9.88495 39.7495 8.31678 18.8155 TIMING: 3851800 CPU: 11157.9, 0.00287118/step Wall: 11157.9, 0.00287118/step, 0.915746 hours remaining, 212.039062 MB of memory in use. ENERGY: 3851800 707.9835 2114.0220 1947.3565 106.1523 -205802.6000 17672.7395 0.0000 0.0000 34174.1334 -149080.2127 298.4512 -183254.3461 -148972.5784 299.8864 86.3320 113.7679 558461.6401 -7.1433 -7.2430 PRESSURE: 3852000 -129.393 143.667 -60.9017 143.667 -115.718 69.1126 -60.9014 69.1129 208.168 GPRESSURE: 3852000 -79.4775 81.3718 -30.1015 111.544 -86.4032 206.825 -122.224 -124.785 225.671 PRESSAVG: 3852000 -68.1726 -31.4212 14.6788 -31.4211 10.9104 52.4188 14.6789 52.4189 10.0407 GPRESSAVG: 3852000 -68.7701 -31.8042 15.994 -29.0846 9.81206 53.0108 10.2359 52.5553 11.1734 TIMING: 3852000 CPU: 11158.5, 0.00288201/step Wall: 11158.5, 0.00288201/step, 0.919039 hours remaining, 212.039062 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: 3852000 749.6314 2009.6672 1927.8884 106.2955 -206237.5498 17834.1834 0.0000 0.0000 34456.2208 -149153.6630 300.9147 -183609.8838 -149052.2851 300.1705 -12.3146 19.9300 558185.2985 -15.7405 -15.9282 PRESSURE: 3852200 116.318 -22.1752 -66.1237 -22.1749 373.141 -16.7888 -66.1231 -16.7901 112.59 GPRESSURE: 3852200 146.916 -24.4613 -57.5098 -49.4555 399.29 -67.8334 -90.1585 -38.8656 159.741 PRESSAVG: 3852200 -59.5131 -6.69181 -38.3074 -6.69178 -20.47 -24.7529 -38.3074 -24.753 99.2233 GPRESSAVG: 3852200 -58.8182 -5.60252 -41.8988 -7.6871 -20.2502 -25.4019 -36.3919 -24.8408 98.7894 TIMING: 3852200 CPU: 11159.1, 0.00287786/step Wall: 11159.1, 0.00287786/step, 0.917559 hours remaining, 212.039062 MB of memory in use. ENERGY: 3852200 710.5064 2104.7101 1964.4192 114.8172 -206451.1552 18105.0843 0.0000 0.0000 34153.9284 -149297.6897 298.2748 -183451.6181 -149202.2046 299.0577 200.6831 235.3154 557324.1960 6.4134 6.5736 LDB: ============= START OF LOAD BALANCING ============== 11162.4 LDB: ============== END OF LOAD BALANCING =============== 11162.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11162.4 LDB: ============= START OF LOAD BALANCING ============== 11162.7 LDB: Largest compute 4792 load 0.024724 is 20.9% of average load 0.118035 LDB: Average compute 0.001726 is 1.5% of average load 0.118035 LDB: TIME 11162.7 LOAD: AVG 0.118035 MAX 0.180168 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.148 MB LDB: TIME 11162.7 LOAD: AVG 0.118035 MAX 0.180168 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.348 MB LDB: TIME 11162.7 LOAD: AVG 0.118035 MAX 0.180168 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11162.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11162.7 PRESSURE: 3852400 -19.6584 -238.955 55.1719 -238.957 -154.183 180.877 55.1703 180.877 -311.315 GPRESSURE: 3852400 5.75897 -245.58 79.3108 -150.35 -107.753 96.3775 37.8387 170.507 -286.686 PRESSAVG: 3852400 14.7907 -48.7501 4.02861 -48.75 -63.4692 18.0331 4.02871 18.0332 41.0633 GPRESSAVG: 3852400 12.857 -49.2382 6.15343 -49.3851 -63.7995 14.1376 3.39376 22.4813 43.0019 TIMING: 3852400 CPU: 11159.6, 0.00293523/step Wall: 11159.6, 0.00293523/step, 0.935686 hours remaining, 210.863281 MB of memory in use. ENERGY: 3852400 749.0277 2102.1505 1946.9759 123.5620 -206190.4231 17791.2023 0.0000 0.0000 34212.3309 -149265.1738 298.7848 -183477.5047 -149172.0756 298.9293 -161.7188 -129.5601 559197.4359 -2.5384 -2.6468 PRESSURE: 3852600 -93.2236 34.5563 29.7514 34.5584 -218.994 -14.0938 29.751 -14.0953 -137.168 GPRESSURE: 3852600 -21.9051 -3.37778 40.1699 117.242 -191.009 57.7552 36.7162 6.20089 -137.528 PRESSAVG: 3852600 -24.3642 -5.67587 22.5737 -5.67597 10.7167 -8.22708 22.5737 -8.22715 9.35712 GPRESSAVG: 3852600 -23.2887 -5.88194 21.9476 -2.90702 10.5634 -7.62387 23.2243 -10.6129 8.0465 TIMING: 3852600 CPU: 11160.2, 0.00286564/step Wall: 11160.2, 0.00286565/step, 0.913345 hours remaining, 210.863281 MB of memory in use. ENERGY: 3852600 743.0150 2168.7978 1936.7251 121.4140 -206314.2048 17745.5897 0.0000 0.0000 34246.5499 -149352.1132 299.0836 -183598.6631 -149260.3884 299.0269 -149.7950 -116.8141 558141.4188 -1.4301 -1.5596 PRESSURE: 3852800 -301.921 -107.752 29.9644 -107.752 -123.219 119.33 29.9644 119.329 60.0049 GPRESSURE: 3852800 -238.558 -120.968 75.5699 -105.513 -99.5109 64.735 26.5499 158.115 68.104 PRESSAVG: 3852800 16.159 -33.7338 -34.759 -33.7338 -60.9929 -2.94449 -34.7591 -2.9446 23.7067 GPRESSAVG: 3852800 15.3603 -33.0119 -33.9146 -35.6491 -60.391 -1.86573 -35.5395 -3.45488 23.8523 TIMING: 3852800 CPU: 11160.8, 0.00285619/step Wall: 11160.8, 0.00285619/step, 0.910171 hours remaining, 210.863281 MB of memory in use. ENERGY: 3852800 750.0205 2141.1147 1930.2702 106.8088 -206080.0654 17655.9669 0.0000 0.0000 34248.4389 -149247.4454 299.1001 -183495.8843 -149143.1620 298.8710 -121.7115 -89.9884 558759.3580 -7.0424 -7.0595 PRESSURE: 3853000 437.737 97.8048 81.4398 97.8052 169.814 151.611 81.4392 151.609 226.759 GPRESSURE: 3853000 442.018 147.809 8.27482 99.3724 221.591 204.023 27.847 82.2961 256.236 PRESSAVG: 3853000 78.9497 17.0771 21.7996 17.0771 -88.9662 96.2652 21.7996 96.2652 3.62263 GPRESSAVG: 3853000 79.465 18.1458 22.9707 15.7838 -89.1735 96.4212 22.9741 95.1009 3.34238 TIMING: 3853000 CPU: 11161.4, 0.00285496/step Wall: 11161.4, 0.00285496/step, 0.909621 hours remaining, 210.863281 MB of memory in use. ENERGY: 3853000 723.9530 2108.8697 1936.7980 111.6940 -207021.2098 18367.1178 0.0000 0.0000 34497.0334 -149275.7440 301.2712 -183772.7773 -149184.8235 299.3521 278.1034 306.6147 555999.7623 -2.1313 -2.1220 PRESSURE: 3853200 -33.9676 126.952 216.408 126.952 -38.0958 -69.5514 216.407 -69.5496 -182.914 GPRESSURE: 3853200 48.8894 66.9951 147.683 21.3499 8.15316 -54.4302 260.786 -103.856 -194.849 PRESSAVG: 3853200 16.4706 -18.3218 68.8242 -18.3218 33.3888 -5.03386 68.8242 -5.03391 2.1885 GPRESSAVG: 3853200 16.3241 -19.7801 67.3892 -17.4833 34.2482 -4.1668 69.2647 -5.00418 2.14629 TIMING: 3853200 CPU: 11161.9, 0.00286697/step Wall: 11161.9, 0.00286697/step, 0.91329 hours remaining, 210.863281 MB of memory in use. ENERGY: 3853200 795.6496 2094.5783 1959.7708 119.7508 -206411.8868 17870.4325 0.0000 0.0000 34257.6350 -149314.0699 299.1804 -183571.7049 -149218.8465 299.2950 -84.9926 -45.9355 558150.3024 17.3493 17.5729 PRESSURE: 3853400 1.59841 -38.7443 -135.719 -38.7441 -213 58.6043 -135.72 58.6055 -29.0495 GPRESSURE: 3853400 -29.3962 -38.3578 -101.327 -41.1478 -169.785 49.9336 -205.547 17.9496 60.9522 PRESSAVG: 3853400 18.0812 -15.3956 53.9162 -15.3957 -15.0556 -5.54724 53.9162 -5.54729 20.1169 GPRESSAVG: 3853400 17.1263 -14.2438 53.2873 -14.5618 -15.7437 -7.40486 52.4429 -4.1712 21.2757 TIMING: 3853400 CPU: 11162.5, 0.00285949/step Wall: 11162.5, 0.00285949/step, 0.910748 hours remaining, 210.863281 MB of memory in use. ENERGY: 3853400 772.0172 2113.2924 1934.1763 120.7637 -206373.8681 17726.4811 0.0000 0.0000 34272.0989 -149435.0385 299.3068 -183707.1373 -149328.5226 299.1106 -80.1505 -46.0763 557942.5595 7.7142 7.5527 PRESSURE: 3853600 -48.0698 -37.098 24.5053 -37.0986 -61.8799 133.945 24.5046 133.944 10.3668 GPRESSURE: 3853600 16.8731 -17.2392 -7.37456 -107.165 -2.18688 76.5625 62.9811 98.4089 -4.71306 PRESSAVG: 3853600 22.2971 -20.2955 -22.3236 -20.2954 18.3695 42.1869 -22.3237 42.1869 14.3311 GPRESSAVG: 3853600 22.0351 -23.1595 -19.8045 -18.4301 19.6668 44.1537 -22.4664 41.9285 12.6401 TIMING: 3853600 CPU: 11163.1, 0.00286103/step Wall: 11163.1, 0.00286103/step, 0.91108 hours remaining, 210.863281 MB of memory in use. ENERGY: 3853600 740.7319 2159.6467 1940.6753 126.9873 -206552.6650 17735.6090 0.0000 0.0000 34463.2683 -149385.7465 300.9763 -183849.0148 -149288.7649 299.2182 -33.1943 3.3244 556568.5929 18.3325 18.1140 PRESSURE: 3853800 -12.1646 169.842 -52.4556 169.842 -152.471 31.9143 -52.4558 31.9148 -234.696 GPRESSURE: 3853800 33.1725 141.205 88.5557 150.326 -127.427 45.5116 -110.015 -6.83675 -213.725 PRESSAVG: 3853800 -45.7332 3.00959 -25.8371 3.00959 -1.27295 25.3226 -25.8371 25.3225 28.0769 GPRESSAVG: 3853800 -44.212 4.89871 -26.0168 0.575467 -2.87208 23.5762 -25.4507 25.1501 27.551 TIMING: 3853800 CPU: 11163.7, 0.00287188/step Wall: 11163.7, 0.00287188/step, 0.914375 hours remaining, 210.863281 MB of memory in use. ENERGY: 3853800 778.6020 2084.5421 1921.3247 121.8156 -206155.6981 17795.1669 0.0000 0.0000 34295.0144 -149159.2323 299.5069 -183454.2467 -149060.3490 299.3034 -133.1106 -102.6601 558526.0950 -6.3097 -6.5110 PRESSURE: 3854000 -335.495 -43.3233 183.242 -43.3244 -107.226 -9.2136 183.242 -9.21619 -140.479 GPRESSURE: 3854000 -262.876 -55.519 186.11 -156.622 -104.435 44.7007 195.463 -39.5218 -111.105 PRESSAVG: 3854000 -16.5551 -10.9936 -33.3072 -10.9937 28.7168 -11.4341 -33.3071 -11.4342 -6.0571 GPRESSAVG: 3854000 -17.4134 -10.1757 -34.9893 -9.72952 27.5932 -8.59321 -33.1149 -12.9015 -4.29426 TIMING: 3854000 CPU: 11164.2, 0.00288641/step Wall: 11164.2, 0.00288641/step, 0.918842 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3854000 778.5362 2095.8487 1917.4867 120.5824 -205771.5442 17533.8974 0.0000 0.0000 34240.0268 -149085.1659 299.0267 -183325.1927 -148989.2246 300.1072 -194.3996 -159.4719 557505.0426 2.0349 1.9618 PRESSURE: 3854200 31.0471 -9.42188 41.7317 -9.42382 146.665 117.311 41.7312 117.31 -79.4602 GPRESSURE: 3854200 61.9275 -30.5841 39.8625 38.0405 202.848 68.6541 69.4991 118.59 -56.6747 PRESSAVG: 3854200 -9.52293 7.29479 10.9775 7.2949 97.7404 -24.8897 10.9775 -24.8896 -103.466 GPRESSAVG: 3854200 -9.32617 6.2992 10.783 7.10071 98.7801 -26.6662 11.0796 -22.7596 -104.729 TIMING: 3854200 CPU: 11164.8, 0.00288904/step Wall: 11164.8, 0.00288904/step, 0.919519 hours remaining, 210.863281 MB of memory in use. ENERGY: 3854200 752.1699 2055.0977 1963.5387 115.4434 -206524.7028 17995.9400 0.0000 0.0000 34487.8653 -149154.6477 301.1911 -183642.5130 -149059.2268 299.5022 32.7506 69.3669 557142.4744 -5.0827 -5.0917 PRESSURE: 3854400 157.223 12.5039 180.889 12.5038 -69.252 -31.9748 180.888 -31.9752 37.7808 GPRESSURE: 3854400 224.956 -7.47315 215.566 16.9651 -61.519 -1.49489 171.839 12.4313 61.6004 PRESSAVG: 3854400 28.3008 38.4253 42.3599 38.4254 11.9361 -2.4246 42.3599 -2.4246 -4.79758 GPRESSAVG: 3854400 28.6664 36.8388 42.3964 39.6826 11.5578 -1.7301 40.2293 -3.35599 -4.81908 TIMING: 3854400 CPU: 11165.4, 0.00286061/step Wall: 11165.4, 0.00286061/step, 0.910309 hours remaining, 210.863281 MB of memory in use. ENERGY: 3854400 755.5632 2089.9580 1940.7121 119.2165 -205983.5803 17797.0799 0.0000 0.0000 34165.9447 -149115.1059 298.3797 -183281.0506 -149023.8695 299.2510 41.9173 75.0125 556729.4852 11.8131 11.8017 PRESSURE: 3854600 -61.5958 39.0835 -71.1847 39.0838 28.5422 98.8218 -71.183 98.821 -86.0196 GPRESSURE: 3854600 16.0067 46.5434 -17.7489 96.668 19.487 79.7437 -120.345 111.261 -54.7287 PRESSAVG: 3854600 54.9151 -25.1873 73.0582 -25.1873 15.9409 33.4913 73.0583 33.4913 -39.6491 GPRESSAVG: 3854600 54.3488 -25.0203 73.1507 -26.3199 16.6271 32.7525 74.4557 33.7434 -39.4912 TIMING: 3854600 CPU: 11166, 0.0028625/step Wall: 11166, 0.0028625/step, 0.910753 hours remaining, 210.863281 MB of memory in use. ENERGY: 3854600 751.6149 2093.0850 1916.7035 100.4583 -206159.3988 17845.2588 0.0000 0.0000 34264.0268 -149188.2513 299.2363 -183452.2782 -149091.7621 299.4215 -39.6911 -6.4117 557057.6981 10.4023 10.4949 PRESSURE: 3854800 219.698 42.6272 -45.6005 42.6272 -241.255 -35.4911 -45.6009 -35.4923 335.138 GPRESSURE: 3854800 231.588 -7.129 -118.442 -1.61732 -174.674 44.3791 0.394209 -55.0535 348.909 PRESSAVG: 3854800 16.2663 -16.2653 47.3312 -16.2653 -30.8512 84.3984 47.3312 84.3984 6.65022 GPRESSAVG: 3854800 16.7383 -14.7796 45.5706 -18.7594 -29.9523 85.0309 50.8925 84.8391 4.8898 TIMING: 3854800 CPU: 11166.5, 0.00286726/step Wall: 11166.5, 0.00286726/step, 0.912106 hours remaining, 210.863281 MB of memory in use. ENERGY: 3854800 730.7655 2051.2448 1940.5667 101.0569 -206332.7573 18010.2618 0.0000 0.0000 34306.1550 -149192.7066 299.6042 -183498.8616 -149101.1587 299.1520 104.5273 135.2745 556294.7405 -2.6449 -2.7747 PRESSURE: 3855000 289.283 152.308 2.26833 152.308 165.864 -6.77958 2.26827 -6.77928 -72.2639 GPRESSURE: 3855000 308.044 201.048 39.4125 29.9779 175.432 -8.38817 7.70485 44.5178 -2.97328 PRESSAVG: 3855000 64.8955 -56.8503 67.7718 -56.8503 -36.446 -13.8724 67.7718 -13.8724 -30.9926 GPRESSAVG: 3855000 64.604 -56.1671 68.8555 -54.5645 -37.8907 -14.3261 63.3056 -13.6218 -28.8429 TIMING: 3855000 CPU: 11167.1, 0.00287563/step Wall: 11167.1, 0.00287563/step, 0.914611 hours remaining, 210.863281 MB of memory in use. ENERGY: 3855000 755.2715 2074.6138 1927.3215 110.1235 -206437.9025 18044.9832 0.0000 0.0000 34430.1831 -149095.4059 300.6874 -183525.5890 -148996.8108 299.3309 127.6277 160.1677 557330.4891 -0.8477 -0.7099 PRESSURE: 3855200 209.897 0.382846 99.2054 0.38224 278.557 13.1629 99.2052 13.1628 -98.5098 GPRESSURE: 3855200 238.653 173.616 69.9076 -12.439 272.457 25.2473 110.642 48.7785 -12.7135 PRESSAVG: 3855200 52.4627 22.7159 44.1282 22.7158 -2.59892 17.9871 44.1282 17.9872 -28.1703 GPRESSAVG: 3855200 51.8916 23.667 46.0948 21.73 -1.99546 17.7201 45.8116 17.0028 -28.8462 TIMING: 3855200 CPU: 11167.7, 0.00289437/step Wall: 11167.7, 0.00289437/step, 0.920411 hours remaining, 210.863281 MB of memory in use. ENERGY: 3855200 756.5971 2064.9314 1925.9661 109.0689 -206041.8394 17956.3750 0.0000 0.0000 34314.3709 -148914.5300 299.6759 -183228.9010 -148819.3849 299.9084 129.9814 166.1321 556047.7237 7.2312 7.0166 PRESSURE: 3855400 -94.5122 83.1679 13.2439 83.167 -280.142 -7.82451 13.2446 -7.82507 -61.1006 GPRESSURE: 3855400 -117.94 -17.9219 45.1709 120 -173.781 26.3066 10.924 20.5027 -44.2814 PRESSAVG: 3855400 55.9326 -10.4025 -17.9228 -10.4026 1.63798 26.971 -17.9227 26.9709 -52.737 GPRESSAVG: 3855400 56.2752 -12.0852 -19.0512 -9.27596 1.52617 27.534 -17.9215 25.5555 -53.2656 TIMING: 3855400 CPU: 11168.3, 0.00288121/step Wall: 11168.3, 0.00288121/step, 0.916063 hours remaining, 210.863281 MB of memory in use. ENERGY: 3855400 711.5291 2108.4507 1927.9448 114.5944 -205394.5384 17374.2663 0.0000 0.0000 34235.4291 -148922.3238 298.9865 -183157.7529 -148827.2362 300.5290 -145.2515 -112.0007 558666.2832 1.6112 1.5119 PRESSURE: 3855600 -73.7917 152.608 100.66 152.609 -119.914 171.267 100.661 171.265 -222.063 GPRESSURE: 3855600 -12.9007 207.467 167.858 111.188 -139.176 181.33 124.147 174.525 -158.531 PRESSAVG: 3855600 10.5402 7.32108 58.8198 7.32112 -19.818 41.2525 58.8198 41.2526 -16.8176 GPRESSAVG: 3855600 10.1257 8.52344 58.7668 6.29382 -20.1129 39.1355 57.735 43.3666 -15.8915 TIMING: 3855600 CPU: 11168.8, 0.00289856/step Wall: 11168.8, 0.00289856/step, 0.921421 hours remaining, 210.863281 MB of memory in use. ENERGY: 3855600 734.5749 2134.7899 1935.5048 128.3170 -205744.1829 17628.4069 0.0000 0.0000 34370.7734 -148811.8160 300.1685 -183182.5894 -148717.2159 300.2212 -138.5896 -103.5359 558796.9198 -8.6985 -8.6262 PRESSURE: 3855800 -182.542 -37.9639 51.7362 -37.9648 -177.24 -68.9755 51.7357 -68.9749 -183.94 GPRESSURE: 3855800 -130.391 -140.876 73.7171 -24.4865 -142.317 -51.0244 -9.91239 -105.49 -175.902 PRESSAVG: 3855800 27.9798 46.8312 -9.61217 46.8311 -39.0092 13.7039 -9.61217 13.704 3.53949 GPRESSAVG: 3855800 29.4377 44.1442 -10.9963 48.5658 -38.4994 14.0035 -6.0859 13.4833 2.09494 TIMING: 3855800 CPU: 11169.4, 0.0028937/step Wall: 11169.4, 0.0028937/step, 0.919713 hours remaining, 210.863281 MB of memory in use. ENERGY: 3855800 783.1551 2109.8178 1928.7055 116.5886 -205971.3894 17608.9938 0.0000 0.0000 34487.3212 -148936.8074 301.1864 -183424.1286 -148836.7545 300.0966 -181.2405 -149.5366 558358.9682 -2.4967 -2.3223 PRESSURE: 3856000 29.012 48.0184 -35.7098 48.0172 168.72 -126.547 -35.7083 -126.546 85.3003 GPRESSURE: 3856000 63.3879 95.734 -36.5957 11.0673 171.745 -110.001 -27.5503 -168.485 152.361 PRESSAVG: 3856000 39.1418 4.48246 44.0679 4.48239 -94.7952 3.34474 44.0679 3.34474 55.7404 GPRESSAVG: 3856000 38.515 7.88754 44.4274 4.01206 -95.3552 4.77974 41.5084 2.21399 57.0735 TIMING: 3856000 CPU: 11170, 0.00287316/step Wall: 11170, 0.00287316/step, 0.913026 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3856000 719.9152 2130.0977 1944.8092 111.4675 -205864.9769 17818.8968 0.0000 0.0000 34239.8720 -148899.9185 299.0253 -183139.7906 -148802.4037 299.7655 94.3443 129.1648 557516.6985 0.0290 0.0778 PRESSURE: 3856200 -9.14059 -38.5808 112.671 -38.5808 -229.732 81.8653 112.671 81.8624 -40.753 GPRESSURE: 3856200 20.9484 -21.552 50.0923 -47.8044 -168.34 87.5884 128.834 -26.976 -34.3644 PRESSAVG: 3856200 32.2817 -18.4565 16.9834 -18.4566 -32.3164 -42.4506 16.9833 -42.4507 10.2471 GPRESSAVG: 3856200 31.3645 -21.076 16.6022 -19.0324 -30.4467 -43.422 16.1078 -41.8107 9.39464 TIMING: 3856200 CPU: 11170.6, 0.00286722/step Wall: 11170.6, 0.00286722/step, 0.910979 hours remaining, 210.863281 MB of memory in use. ENERGY: 3856200 765.1861 2104.5266 1956.6492 111.6211 -205627.9607 17475.9315 0.0000 0.0000 34552.9664 -148661.0798 301.7596 -183214.0462 -148564.8326 300.7061 -93.2086 -60.5854 557176.2979 3.4041 3.4375 LDB: ============= START OF LOAD BALANCING ============== 11174 LDB: ============== END OF LOAD BALANCING =============== 11174 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11174 LDB: ============= START OF LOAD BALANCING ============== 11174.2 LDB: Largest compute 4792 load 0.024350 is 20.6% of average load 0.118090 LDB: Average compute 0.001731 is 1.5% of average load 0.118090 LDB: TIME 11174.2 LOAD: AVG 0.11809 MAX 0.180544 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 11174.2 LOAD: AVG 0.11809 MAX 0.180544 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 11174.2 LOAD: AVG 0.11809 MAX 0.180544 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11174.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11174.3 PRESSURE: 3856400 -165.906 39.236 -76.1626 39.2361 -393.241 68.0884 -76.1616 68.0879 86.4565 GPRESSURE: 3856400 -141.812 53.2044 -109.285 45.2003 -324.795 -45.7844 -52.9219 159.459 88.2676 PRESSAVG: 3856400 31.1342 -26.0137 26.8885 -26.0137 -11.2701 22.7018 26.8885 22.7018 20.5749 GPRESSAVG: 3856400 31.3208 -24.1523 27.3636 -25.8332 -11.8118 23.8602 27.6662 24.7351 20.4259 TIMING: 3856400 CPU: 11171.2, 0.00294683/step Wall: 11171.2, 0.00294683/step, 0.93611 hours remaining, 211.117188 MB of memory in use. ENERGY: 3856400 770.3110 2172.6322 1946.0013 114.5696 -205821.9588 17665.4620 0.0000 0.0000 34432.4440 -148720.5387 300.7071 -183152.9827 -148623.1544 301.1875 -157.5636 -126.1131 558507.1175 13.4797 13.3117 PRESSURE: 3856600 -4.80553 19.722 -144.834 19.7228 -160.786 -137.777 -144.835 -137.777 -27.4595 GPRESSURE: 3856600 76.445 76.0433 -219.47 -21.0571 -134.497 -87.4019 -179.871 -168.749 -42.6111 PRESSAVG: 3856600 -21.3078 40.8743 -2.36858 40.8742 -51.2158 -9.23427 -2.36856 -9.23433 21.1114 GPRESSAVG: 3856600 -20.1198 40.7112 -2.55781 39.5208 -52.3031 -10.1197 -2.50066 -11.7243 21.1233 TIMING: 3856600 CPU: 11171.7, 0.0028785/step Wall: 11171.7, 0.0028785/step, 0.914243 hours remaining, 211.316406 MB of memory in use. ENERGY: 3856600 754.6195 2074.2047 1958.9321 102.3073 -205932.6097 17852.3296 0.0000 0.0000 34551.8743 -148638.3422 301.7501 -183190.2165 -148538.4407 300.8848 -64.3505 -33.5542 557895.2043 -17.1374 -17.0999 PRESSURE: 3856800 78.9497 -146.358 -195.754 -146.357 -245.619 -66.0454 -195.755 -66.0447 87.8728 GPRESSURE: 3856800 108.667 -107.653 -140.131 -163.973 -240.385 -140.189 -173.148 -12.772 146.278 PRESSAVG: 3856800 12.1652 -37.3918 -9.04348 -37.3916 -32.7627 -42.4799 -9.04346 -42.48 17.5417 GPRESSAVG: 3856800 11.3668 -39.422 -7.10932 -34.5633 -32.332 -44.7873 -9.93507 -40.1109 17.9136 TIMING: 3856800 CPU: 11172.3, 0.0028709/step Wall: 11172.3, 0.0028709/step, 0.911669 hours remaining, 211.316406 MB of memory in use. ENERGY: 3856800 781.1890 2132.6566 1931.3433 122.7711 -205875.2516 17685.1883 0.0000 0.0000 34443.3058 -148778.7975 300.8020 -183222.1032 -148681.0842 301.4885 -26.2655 4.8531 556947.9739 -1.0186 -1.0172 PRESSURE: 3857000 75.8582 93.4587 139.259 93.4613 -51.0122 -16.2643 139.258 -16.2647 -76.6124 GPRESSURE: 3857000 124.779 127.325 132.906 -16.4507 -47.9591 -21.5511 223.283 -56.8165 -26.0647 PRESSAVG: 3857000 20.2803 21.7712 -13.1681 21.7712 -43.8859 -25.4912 -13.1682 -25.4912 30.0767 GPRESSAVG: 3857000 21.1006 24.1946 -13.6657 19.4735 -44.089 -22.6405 -13.4418 -26.565 29.4629 TIMING: 3857000 CPU: 11172.9, 0.00288381/step Wall: 11172.9, 0.00288381/step, 0.915609 hours remaining, 211.316406 MB of memory in use. ENERGY: 3857000 736.9521 2084.4051 1935.7454 115.1373 -205484.6986 17545.6493 0.0000 0.0000 34399.3972 -148667.4121 300.4185 -183066.8093 -148568.5528 300.6857 -17.2555 16.9182 557055.8042 2.1570 2.1581 PRESSURE: 3857200 -5.23423 -1.45737 140.165 -1.45852 39.7274 -80.6129 140.166 -80.6101 -99.0163 GPRESSURE: 3857200 45.6299 1.64615 227.799 41.4072 109.973 -111.569 106.9 3.771 -112.72 PRESSAVG: 3857200 18.0402 -10.6351 41.6665 -10.6351 2.17624 -29.0908 41.6665 -29.0906 27.0275 GPRESSAVG: 3857200 17.2617 -11.306 40.2535 -8.59644 2.29047 -28.0093 44.7514 -31.5778 27.7853 TIMING: 3857200 CPU: 11173.5, 0.002872/step Wall: 11173.5, 0.002872/step, 0.911701 hours remaining, 211.316406 MB of memory in use. ENERGY: 3857200 751.5316 2108.2126 1935.2455 100.8427 -205686.3988 17725.3252 0.0000 0.0000 34367.4549 -148697.7863 300.1395 -183065.2412 -148599.4719 300.3682 -21.5077 14.2942 558395.9343 15.7480 15.7792 PRESSURE: 3857400 -298.2 -61.4207 43.4451 -61.4201 134.539 -132.884 43.4449 -132.885 116.733 GPRESSURE: 3857400 -260.849 18.4456 38.6616 -38.0677 136.191 -74.3411 26.9507 -178.827 164.091 PRESSAVG: 3857400 -19.3555 -39.1144 24.0807 -39.1144 59.0591 -48.8753 24.0808 -48.8753 -41.4419 GPRESSAVG: 3857400 -19.9404 -40.1811 25.6952 -39.8851 58.8726 -49.4443 21.3218 -48.1686 -40.8355 TIMING: 3857400 CPU: 11174, 0.00289032/step Wall: 11174, 0.00289032/step, 0.917357 hours remaining, 211.316406 MB of memory in use. ENERGY: 3857400 779.4192 2031.6088 1963.9013 124.1583 -205989.4754 17722.7703 0.0000 0.0000 34438.4699 -148929.1477 300.7597 -183367.6176 -148833.8154 300.1945 -15.6429 13.1442 557798.3288 -0.5794 -0.6344 PRESSURE: 3857600 65.4458 208.311 103.705 208.311 90.3928 4.07553 103.706 4.07602 -103.739 GPRESSURE: 3857600 161.339 266.631 48.8073 152.783 59.0684 59.9188 27.2306 42.4608 -89.0459 PRESSAVG: 3857600 -7.83333 57.1366 -25.706 57.1366 108.939 -24.8784 -25.7059 -24.8782 -19.445 GPRESSAVG: 3857600 -8.27561 59.7174 -26.4202 55.8714 109.574 -25.4153 -24.2587 -22.7193 -19.9855 TIMING: 3857600 CPU: 11174.6, 0.00287378/step Wall: 11174.6, 0.00287378/step, 0.911948 hours remaining, 211.316406 MB of memory in use. ENERGY: 3857600 745.7440 2015.7834 1945.5216 109.6227 -205909.2927 17732.6268 0.0000 0.0000 34421.6536 -148938.3407 300.6129 -183359.9943 -148844.3179 299.5897 17.3664 43.7870 558248.4631 27.2202 27.1043 PRESSURE: 3857800 169.691 -33.4184 137.845 -33.4167 -88.4675 -3.37548 137.844 -3.37576 -223.992 GPRESSURE: 3857800 167.731 4.65552 114.522 -86.8969 -44.6439 -69.8119 149.703 35.4384 -171.399 PRESSAVG: 3857800 50.8252 -2.43018 44.5522 -2.43017 15.4614 13.9209 44.5523 13.9208 -10.3994 GPRESSAVG: 3857800 50.4468 -5.4417 43.8974 -2.64234 15.9925 14.6041 43.9174 10.4855 -11.2715 TIMING: 3857800 CPU: 11175.2, 0.00286627/step Wall: 11175.2, 0.00286627/step, 0.909405 hours remaining, 211.316406 MB of memory in use. ENERGY: 3857800 748.7883 2066.4478 1939.0919 107.7368 -205727.8985 17618.2158 0.0000 0.0000 34223.8780 -149023.7399 298.8856 -183247.6179 -148929.8578 299.5479 -47.5895 -16.1042 557858.8155 18.6291 18.3892 PRESSURE: 3858000 -111.091 -50.7639 71.542 -50.7638 -158.057 -44.4756 71.5418 -44.4753 -66.6754 GPRESSURE: 3858000 -37.7422 -16.7979 28.2291 -66.7944 -107.399 -114.202 58.2861 -73.0472 -67.8851 PRESSAVG: 3858000 7.10672 8.93113 16.0978 8.93106 8.2289 -30.0115 16.0978 -30.0116 -27.6305 GPRESSAVG: 3858000 7.37626 10.6996 16.4418 9.64328 8.52266 -32.7117 16.5744 -27.643 -27.5253 TIMING: 3858000 CPU: 11175.8, 0.002864/step Wall: 11175.8, 0.002864/step, 0.908524 hours remaining, 211.316406 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: 3858000 767.9944 2063.6005 1955.0150 103.5234 -206090.0117 17752.0893 0.0000 0.0000 34316.5717 -149131.2173 299.6952 -183447.7890 -149039.3302 299.5261 -111.9413 -71.0088 558089.9049 -4.0983 -3.8755 PRESSURE: 3858200 -188.707 -88.6946 185.504 -88.6945 -108.93 13.9529 185.505 13.9553 -126.692 GPRESSURE: 3858200 -116.592 33.4245 114.996 -88.6108 -93.514 15.3312 239.422 8.47508 -120.143 PRESSAVG: 3858200 17.1705 -38.1026 21.1575 -38.1026 37.8335 26.2269 21.1575 26.2269 -48.1633 GPRESSAVG: 3858200 16.4047 -38.3835 20.0197 -37.8955 37.2542 28.4881 21.4761 26.2073 -46.4958 TIMING: 3858200 CPU: 11176.3, 0.00287681/step Wall: 11176.3, 0.00287681/step, 0.912429 hours remaining, 211.316406 MB of memory in use. ENERGY: 3858200 744.0107 2020.4525 1947.6540 107.2666 -205912.5726 17734.5962 0.0000 0.0000 34162.2254 -149196.3672 298.3472 -183358.5927 -149105.7659 299.2406 -141.4431 -110.0828 558735.9403 2.2803 2.3877 PRESSURE: 3858400 -37.0857 133.098 132.772 133.099 -118.188 149.406 132.771 149.406 -144.914 GPRESSURE: 3858400 -7.30274 213.031 55.7136 113.136 -66.6184 122.432 194.773 171.485 -129.915 PRESSAVG: 3858400 -22.9371 2.10636 -0.501765 2.1063 31.087 17.8879 -0.501812 17.888 -27.737 GPRESSAVG: 3858400 -20.4584 1.76145 2.84279 2.55115 30.8543 17.757 -1.8521 18.3713 -30.0134 TIMING: 3858400 CPU: 11176.9, 0.00287995/step Wall: 11176.9, 0.00287995/step, 0.913265 hours remaining, 211.316406 MB of memory in use. ENERGY: 3858400 762.3486 2065.7927 1921.7559 109.1111 -206211.4918 17712.6816 0.0000 0.0000 34476.8582 -149162.9437 301.0950 -183639.8019 -149062.1926 299.2436 -100.0627 -67.9454 557406.0166 -6.5290 -6.5392 PRESSURE: 3858600 -196.086 85.7133 68.9152 85.7136 72.1178 58.3982 68.9153 58.3971 23.5491 GPRESSURE: 3858600 -104.963 163.43 58.1832 -35.739 59.8293 66.8355 24.1645 -14.0038 31.6332 PRESSAVG: 3858600 -30.5004 -22.6881 76.2493 -22.6881 70.6825 -0.0851604 76.2493 -0.0851964 -40.0149 GPRESSAVG: 3858600 -32.9957 -21.4001 75.8771 -26.8329 72.2789 0.686685 74.7088 -1.5182 -38.8863 TIMING: 3858600 CPU: 11177.5, 0.00287282/step Wall: 11177.5, 0.00287282/step, 0.910844 hours remaining, 211.316406 MB of memory in use. ENERGY: 3858600 759.7317 2059.4969 1956.1953 113.0249 -205879.0095 17748.2094 0.0000 0.0000 34044.3310 -149198.0203 297.3176 -183242.3513 -149094.4036 299.2100 -33.4730 -4.5002 557877.8322 0.0558 0.1323 PRESSURE: 3858800 -155.788 108.111 146.736 108.111 -26.7236 38.4774 146.735 38.4772 186.341 GPRESSURE: 3858800 -98.5949 87.2866 139.144 38.2896 29.5725 76.9931 203.357 36.2787 158.075 PRESSAVG: 3858800 -23.9519 41.3322 69.4303 41.3322 62.4369 35.4726 69.4303 35.4727 -10.9771 GPRESSAVG: 3858800 -23.4101 39.9548 69.1366 44.6762 61.7285 33.3251 72.5996 36.0806 -10.9281 TIMING: 3858800 CPU: 11178.1, 0.00284935/step Wall: 11178.1, 0.00284935/step, 0.903243 hours remaining, 211.316406 MB of memory in use. ENERGY: 3858800 727.5805 2144.8135 1928.7114 105.7282 -206190.2317 17829.8302 0.0000 0.0000 34410.0099 -149043.5582 300.5112 -183453.5680 -148952.3996 299.4930 1.2763 29.6841 557615.9939 9.1693 9.1301 PRESSURE: 3859000 15.7939 93.1587 67.7669 93.1584 166.056 311.146 67.7662 311.145 -94.9873 GPRESSURE: 3859000 27.7724 93.9969 64.4102 81.9229 174.714 338.333 14.8202 270.902 -8.10172 PRESSAVG: 3859000 -31.7623 63.2723 45.7604 63.2723 35.2793 49.7844 45.7603 49.7845 -9.26868 GPRESSAVG: 3859000 -31.3509 64.4767 47.0701 61.9685 34.3679 51.5484 43.9404 50.0479 -8.65648 TIMING: 3859000 CPU: 11178.6, 0.00285406/step Wall: 11178.6, 0.00285406/step, 0.904577 hours remaining, 211.316406 MB of memory in use. ENERGY: 3859000 705.9783 2074.2825 1935.8833 104.5686 -206248.1940 17829.4596 0.0000 0.0000 34294.4103 -149303.6113 299.5016 -183598.0217 -149212.4927 299.0304 28.9541 64.7948 557066.7728 -1.9172 -1.8798 PRESSURE: 3859200 91.263 139.67 -13.9432 139.669 114.004 -99.956 -13.9427 -99.9551 -22.948 GPRESSURE: 3859200 125.839 145.931 -23.158 145.968 191.379 -116.799 -46.5444 -113.342 -29.567 PRESSAVG: 3859200 -4.45988 44.2533 7.2035 44.2533 16.7766 2.41312 7.20358 2.4131 -17.4552 GPRESSAVG: 3859200 -3.78901 45.9963 5.78728 44.0138 16.7416 3.50394 8.93521 1.43878 -18.1828 TIMING: 3859200 CPU: 11179.2, 0.00286193/step Wall: 11179.2, 0.00286193/step, 0.906913 hours remaining, 211.316406 MB of memory in use. ENERGY: 3859200 753.8305 2072.0147 1951.7926 100.8948 -206319.0431 18077.2846 0.0000 0.0000 34130.7617 -149232.4643 298.0724 -183363.2260 -149140.6568 299.5850 60.7729 95.8837 557963.1274 -1.7128 -1.7434 PRESSURE: 3859400 -314.082 -99.401 -66.0646 -99.4016 1.07814 -158.392 -66.0643 -158.392 -127.712 GPRESSURE: 3859400 -279.599 -29.7616 -53.4008 -170.074 55.1674 -127.814 -110.376 -124.537 -106.781 PRESSAVG: 3859400 16.0349 3.227 -40.1209 3.22689 40.9134 0.00661312 -40.1209 0.00644014 -35.2772 GPRESSAVG: 3859400 14.3731 -0.27308 -38.5754 6.66249 42.0748 -2.00562 -39.9391 1.12237 -35.2777 TIMING: 3859400 CPU: 11179.8, 0.00285668/step Wall: 11179.8, 0.00285668/step, 0.905091 hours remaining, 211.316406 MB of memory in use. ENERGY: 3859400 757.1304 2109.4022 1972.1552 109.8569 -206236.1218 17782.6890 0.0000 0.0000 34390.4717 -149114.4164 300.3405 -183504.8881 -149017.3971 299.6793 -146.9053 -110.4040 557052.1822 7.2237 7.0567 PRESSURE: 3859600 193.203 -82.3386 96.0456 -82.3377 171.894 -58.461 96.0452 -58.4598 25.535 GPRESSURE: 3859600 235.182 -138.392 122.199 -80.1274 159.933 29.6984 107.582 -115.697 88.6162 PRESSAVG: 3859600 -46.952 -57.1336 0.589664 -57.1337 -26.1376 22.5143 0.589634 22.5142 17.5384 GPRESSAVG: 3859600 -46.6785 -56.6523 0.0367078 -57.1381 -26.2322 25.2458 1.77761 20.5928 17.141 TIMING: 3859600 CPU: 11180.3, 0.00286907/step Wall: 11180.3, 0.00286907/step, 0.908858 hours remaining, 211.316406 MB of memory in use. ENERGY: 3859600 748.5446 2114.0562 1954.8442 101.7340 -206480.4087 18072.3390 0.0000 0.0000 34190.5263 -149298.3644 298.5944 -183488.8907 -149210.3227 299.4435 130.2108 161.2437 556190.6175 -18.5170 -18.5899 PRESSURE: 3859800 -490.914 -85.665 -119.205 -85.6653 -150.019 121.306 -119.205 121.306 -74.0268 GPRESSURE: 3859800 -467.055 -143.012 -130.33 -21.3049 -117.125 203.155 -65.4135 -14.7874 -35.3038 PRESSAVG: 3859800 39.8664 -23.4425 -29.6515 -23.4424 47.6208 2.87878 -29.6516 2.87885 -28.2599 GPRESSAVG: 3859800 40.237 -23.3881 -30.3293 -23.449 46.7112 0.615366 -30.4715 2.59994 -27.5805 TIMING: 3859800 CPU: 11180.9, 0.00287146/step Wall: 11180.9, 0.00287146/step, 0.909455 hours remaining, 211.316406 MB of memory in use. ENERGY: 3859800 726.6140 2071.8897 1964.0386 112.4733 -205841.9254 17307.4910 0.0000 0.0000 34378.6068 -149280.8120 300.2369 -183659.4188 -149182.5925 299.2772 -238.3202 -206.4945 557132.6013 19.7424 19.7892 PRESSURE: 3860000 -228.583 -88.7494 -9.73746 -88.7494 -89.6548 52.8143 -9.73911 52.8139 44.1139 GPRESSURE: 3860000 -190.008 -157.215 30.0841 -7.31073 14.5149 39.7563 -10.1442 104.778 10.5597 PRESSAVG: 3860000 49.9454 -50.8058 -16.2555 -50.8057 -56.2976 -8.69264 -16.2555 -8.69268 22.9796 GPRESSAVG: 3860000 49.3105 -50.8344 -16.4082 -53.6758 -55.6351 -7.45958 -15.105 -7.04904 23.2022 TIMING: 3860000 CPU: 11181.5, 0.00286638/step Wall: 11181.5, 0.00286638/step, 0.907688 hours remaining, 211.316406 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: 3860000 793.1094 2087.4692 1970.7383 120.8303 -206244.9018 17740.7327 0.0000 0.0000 34325.2298 -149206.7921 299.7708 -183532.0219 -149113.2228 299.0992 -91.3748 -54.9776 556545.9530 5.5425 5.6259 PRESSURE: 3860200 -153.701 174.778 -28.3121 174.779 -78.9698 -43.3639 -28.3114 -43.365 -54.1772 GPRESSURE: 3860200 -120.741 147.467 26.9904 185.031 -83.9438 -26.8334 -44.5805 -128.094 31.4931 PRESSAVG: 3860200 -11.0083 12.577 4.39196 12.5769 12.4208 24.4906 4.39192 24.4906 -8.21605 GPRESSAVG: 3860200 -11.347 13.4773 4.69066 13.4198 11.9333 23.8014 4.05147 25.2021 -8.07079 TIMING: 3860200 CPU: 11182.1, 0.002871/step Wall: 11182.1, 0.002871/step, 0.908989 hours remaining, 211.316406 MB of memory in use. ENERGY: 3860200 751.8912 2093.8435 1992.4230 104.4727 -206252.6176 17897.8895 0.0000 0.0000 34352.9540 -149059.1436 300.0129 -183412.0976 -148960.0833 299.8567 -95.6159 -57.7307 558678.3077 -2.2678 -2.4948 LDB: ============= START OF LOAD BALANCING ============== 11185.4 LDB: ============== END OF LOAD BALANCING =============== 11185.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11185.4 LDB: ============= START OF LOAD BALANCING ============== 11185.7 LDB: Largest compute 4792 load 0.023988 is 20.3% of average load 0.118046 LDB: Average compute 0.001734 is 1.5% of average load 0.118046 LDB: TIME 11185.7 LOAD: AVG 0.118046 MAX 0.183154 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.566 MB LDB: TIME 11185.7 LOAD: AVG 0.118046 MAX 0.183154 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.566 MB LDB: TIME 11185.7 LOAD: AVG 0.118046 MAX 0.183154 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11185.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11185.8 PRESSURE: 3860400 -345.557 131.976 -153.849 131.976 -497.182 -24.4077 -153.849 -24.4084 -189.716 GPRESSURE: 3860400 -268.932 135.001 -185.242 142.049 -495.808 49.7144 -216.497 -33.4121 -174.783 PRESSAVG: 3860400 5.15518 -12.0795 -2.99852 -12.0796 -5.38841 -7.94956 -2.9985 -7.94967 -42.9467 GPRESSAVG: 3860400 5.36717 -13.1268 0.928148 -9.68244 -6.01938 -10.0724 -6.77984 -6.96758 -43.1724 TIMING: 3860400 CPU: 11182.7, 0.00296373/step Wall: 11182.7, 0.00296373/step, 0.938186 hours remaining, 211.179688 MB of memory in use. ENERGY: 3860400 752.6681 2104.1403 1976.8099 118.5185 -205747.8936 17249.2745 0.0000 0.0000 34426.1396 -149120.3425 300.6520 -183546.4821 -149023.0933 299.6295 -344.1516 -313.1743 558673.2277 -14.3933 -14.6082 PRESSURE: 3860600 -182.558 29.7103 21.3515 29.7108 -121.064 -69.6597 21.3529 -69.6593 -336.393 GPRESSURE: 3860600 -172.094 25.0491 108.786 -68.6261 -95.8197 -85.0926 -15.5799 -66.4903 -279.393 PRESSAVG: 3860600 -11.2109 1.17126 -68.2846 1.17132 7.65284 -14.0717 -68.2846 -14.0717 11.2321 GPRESSAVG: 3860600 -10.4039 3.67731 -71.4759 -0.873077 7.94715 -12.775 -64.8216 -17.6354 10.109 TIMING: 3860600 CPU: 11183.2, 0.00288542/step Wall: 11183.2, 0.00288542/step, 0.913236 hours remaining, 211.324219 MB of memory in use. ENERGY: 3860600 710.8760 2114.9872 1975.6785 113.1514 -206279.6786 17525.9498 0.0000 0.0000 34547.5118 -149291.5239 301.7120 -183839.0357 -149186.2260 300.1037 -213.3381 -182.4354 557481.5533 2.5580 2.5508 PRESSURE: 3860800 6.73386 -143.197 -196.056 -143.196 -140.797 9.22707 -196.058 9.22758 -22.6299 GPRESSURE: 3860800 50.5977 -96.6373 -214.01 -248.127 -119.862 -27.5773 -157.53 44.3109 9.53587 PRESSAVG: 3860800 15.3355 -26.1825 -36.3617 -26.1825 1.62896 -4.32788 -36.3617 -4.32782 -7.76243 GPRESSAVG: 3860800 14.9925 -26.2981 -35.4726 -28.3285 1.46391 -2.87233 -37.136 -4.76696 -7.35099 TIMING: 3860800 CPU: 11183.8, 0.00289573/step Wall: 11183.8, 0.00289573/step, 0.916336 hours remaining, 211.324219 MB of memory in use. ENERGY: 3860800 755.4700 2088.8478 1981.0679 106.7303 -206154.9125 17593.4449 0.0000 0.0000 34285.8007 -149343.5508 299.4264 -183629.3516 -149246.7736 299.4079 -52.2309 -19.9094 556984.5447 3.0673 3.0351 PRESSURE: 3861000 87.6741 -10.9262 62.0152 -10.9244 -44.1847 192.488 62.0157 192.488 -224.817 GPRESSURE: 3861000 74.3334 -18.1612 65.5056 -54.507 -3.08168 191.681 110.008 216.617 -153.455 PRESSAVG: 3861000 -22.0829 30.7939 13.7152 30.794 -4.20057 -2.59579 13.7152 -2.59583 19.3573 GPRESSAVG: 3861000 -22.5332 30.0217 12.3031 33.0616 -3.52933 -3.02667 15.6202 -1.93525 19.362 TIMING: 3861000 CPU: 11184.4, 0.00287893/step Wall: 11184.4, 0.00287893/step, 0.910862 hours remaining, 211.324219 MB of memory in use. ENERGY: 3861000 756.9966 2182.8558 1959.6655 116.6084 -206406.5994 17702.3051 0.0000 0.0000 34443.5706 -149244.5974 300.8043 -183688.1680 -149148.4889 298.9749 -60.4425 -27.4012 556324.8038 -2.3087 -2.2335 PRESSURE: 3861200 105.606 -15.7603 -188.309 -15.7612 -77.2514 256.51 -188.31 256.511 226.259 GPRESSURE: 3861200 174.814 -33.5181 -272.723 -18.7874 -59.7038 254.444 -133.779 293.909 235.953 PRESSAVG: 3861200 58.7729 29.0432 -3.16427 29.0432 -12.4076 46.0549 -3.16412 46.055 -80.6377 GPRESSAVG: 3861200 58.5989 29.1 -2.88129 30.5391 -13.7605 45.4121 -4.96665 48.0552 -79.588 TIMING: 3861200 CPU: 11185, 0.00287238/step Wall: 11185, 0.00287238/step, 0.90863 hours remaining, 211.324219 MB of memory in use. ENERGY: 3861200 724.9643 2109.3866 1948.8601 102.1207 -206523.6657 17960.1859 0.0000 0.0000 34338.7413 -149339.4068 299.8888 -183678.1481 -149240.6215 299.4835 84.8710 117.0211 556474.3518 -11.4241 -11.5832 PRESSURE: 3861400 81.8837 198.984 -168.02 198.984 -64.9666 1.83111 -168.021 1.83096 -89.1987 GPRESSURE: 3861400 96.7034 211.5 -177.812 168.689 -25.6825 21.613 -106.758 20.6049 -56.1417 PRESSAVG: 3861400 22.9263 53.9493 -22.815 53.9494 -3.8956 77.0275 -22.815 77.0274 -10.4962 GPRESSAVG: 3861400 23.7012 53.666 -23.3197 53.7204 -3.2411 77.0402 -22.5729 77.8848 -11.4223 TIMING: 3861400 CPU: 11185.5, 0.0028822/step Wall: 11185.5, 0.0028822/step, 0.911574 hours remaining, 211.324219 MB of memory in use. ENERGY: 3861400 749.8806 2048.0793 1972.0370 113.0337 -206372.1267 17782.7087 0.0000 0.0000 34223.9397 -149482.4477 298.8862 -183706.3873 -149383.2851 299.1878 -24.0939 4.9597 558812.2645 2.8448 3.0126 PRESSURE: 3861600 79.174 -6.43936 -51.5877 -6.43766 250.012 -16.5987 -51.5878 -16.5984 11.6562 GPRESSURE: 3861600 77.5392 -3.89462 -38.1292 -19.474 203.5 42.9247 -58.6562 -43.9256 148.694 PRESSAVG: 3861600 68.479 11.9643 -8.16768 11.9643 11.6118 13.7032 -8.16775 13.7032 -32.5771 GPRESSAVG: 3861600 68.1811 9.82403 -6.29136 13.0618 10.7178 13.5039 -6.94126 11.8613 -31.7749 TIMING: 3861600 CPU: 11186.1, 0.00287543/step Wall: 11186.1, 0.00287543/step, 0.909275 hours remaining, 211.324219 MB of memory in use. ENERGY: 3861600 736.2290 2132.3203 1971.8613 115.5692 -206645.1326 18068.7584 0.0000 0.0000 34177.2658 -149443.1284 298.4786 -183620.3943 -149349.9583 298.6115 113.6141 143.2444 556684.6724 15.8379 15.7080 PRESSURE: 3861800 -28.7546 136.247 -24.5951 136.245 -138.61 17.5268 -24.5945 17.5263 -297.353 GPRESSURE: 3861800 -0.134999 98.3383 -94.7181 133.28 -87.2002 17.4047 4.76894 19.6231 -275.025 PRESSAVG: 3861800 -5.06595 -17.7286 -29.0559 -17.7286 60.5998 11.4756 -29.0559 11.4755 -6.94286 GPRESSAVG: 3861800 -4.27628 -16.0629 -30.3145 -19.9995 59.6455 13.0786 -30.7241 11.21 -6.51557 TIMING: 3861800 CPU: 11186.7, 0.00287984/step Wall: 11186.7, 0.00287984/step, 0.91051 hours remaining, 211.324219 MB of memory in use. ENERGY: 3861800 739.4917 2068.3769 1953.4235 133.6344 -205904.2950 17536.6623 0.0000 0.0000 34182.5487 -149290.1574 298.5247 -183472.7061 -149201.1922 297.9740 -154.9058 -120.7869 557091.1829 16.1970 16.2846 PRESSURE: 3862000 -127.883 54.1213 -66.2149 54.1216 370.637 -98.4454 -66.2145 -98.4442 22.7801 GPRESSURE: 3862000 -125.472 69.5888 17.7469 15.1436 346.046 -53.2303 -12.2737 -43.5763 140.465 PRESSAVG: 3862000 -14.6123 20.0848 30.4389 20.0849 0.316035 46.6542 30.4389 46.6541 1.91475 GPRESSAVG: 3862000 -14.8089 19.2967 33.6516 21.3624 1.66685 46.3307 30.5473 48.796 0.82955 TIMING: 3862000 CPU: 11187.3, 0.00286892/step Wall: 11187.3, 0.00286892/step, 0.906898 hours remaining, 211.324219 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: 3862000 737.6510 2107.3845 1965.0529 115.1152 -206184.0050 17859.0478 0.0000 0.0000 34156.8450 -149242.9085 298.3002 -183399.7535 -149149.3955 298.7133 88.5114 120.3465 555988.3334 -4.1272 -4.1042 PRESSURE: 3862200 161.699 35.0033 102.126 35.0033 -86.8534 -56.6008 102.126 -56.5996 -136.631 GPRESSURE: 3862200 182.93 53.2657 114.163 27.158 -57.5177 -73.0546 117.581 -111.08 -92.4 PRESSAVG: 3862200 13.8199 34.8246 -30.639 34.8246 50.6626 -24.5592 -30.639 -24.5593 -75.1178 GPRESSAVG: 3862200 14.1106 36.3393 -33.8325 34.1189 50.1903 -23.9926 -28.6852 -27.1848 -75.1557 TIMING: 3862200 CPU: 11187.8, 0.00288189/step Wall: 11187.8, 0.00288189/step, 0.910837 hours remaining, 211.324219 MB of memory in use. ENERGY: 3862200 731.7922 2131.9931 1968.0565 108.9961 -206207.4239 17702.4012 0.0000 0.0000 34272.6373 -149291.5476 299.3115 -183564.1849 -149188.4387 298.8739 -20.5951 11.0041 554830.5778 -3.5451 -3.6183 PRESSURE: 3862400 27.5207 14.2472 2.51947 14.2474 -146.821 12.963 2.51912 12.9639 -45.3424 GPRESSURE: 3862400 45.4731 -23.4602 44.7454 25.6827 -101.707 -5.35642 30.1602 4.1961 -14.3021 PRESSAVG: 3862400 -14.4035 -1.09442 28.5056 -1.09434 25.6411 33.4949 28.5056 33.495 13.6099 GPRESSAVG: 3862400 -13.9039 -1.57731 28.0452 -1.49267 25.099 31.3595 26.4728 35.0211 13.3389 TIMING: 3862400 CPU: 11188.4, 0.0028744/step Wall: 11188.4, 0.0028744/step, 0.90831 hours remaining, 211.324219 MB of memory in use. ENERGY: 3862400 737.8290 2166.5975 1932.7728 114.9118 -206236.4270 17846.1184 0.0000 0.0000 34302.8940 -149135.3036 299.5757 -183438.1976 -149036.8002 299.6287 -54.8808 -23.5121 556944.6813 8.2825 8.1780 PRESSURE: 3862600 -310.783 63.5752 -23.2646 63.5748 -84.9207 -6.2088 -23.2644 -6.20885 74.6888 GPRESSURE: 3862600 -211.573 42.3245 -36.9467 35.4684 -59.0819 3.62552 -65.1583 5.8864 47.1535 PRESSAVG: 3862600 -110.01 27.8837 -2.89391 27.8837 42.9827 -23.246 -2.8939 -23.246 43.8996 GPRESSAVG: 3862600 -109.682 28.6998 -1.70007 27.2279 42.8904 -22.8724 -2.74952 -24.4108 42.8211 TIMING: 3862600 CPU: 11189, 0.00285114/step Wall: 11189, 0.00285114/step, 0.900801 hours remaining, 211.324219 MB of memory in use. ENERGY: 3862600 729.7853 2170.1942 1959.8545 119.5742 -205992.0915 17605.6282 0.0000 0.0000 34228.1935 -149178.8617 298.9233 -183407.0551 -149078.4877 299.4439 -107.0049 -74.5006 558194.2182 -7.7092 -7.9902 PRESSURE: 3862800 93.4397 209.998 25.9083 209.999 133.042 105.944 25.91 105.943 -146.672 GPRESSURE: 3862800 170.139 191.983 51.4082 79.0988 151.946 94.6219 93.1347 78.0357 -136.041 PRESSAVG: 3862800 -7.6168 16.871 -32.6376 16.8712 -18.3577 -12.3587 -32.6375 -12.3587 -16.9375 GPRESSAVG: 3862800 -8.25429 14.6929 -32.3417 17.2271 -18.1688 -11.9258 -34.0385 -11.4454 -16.5545 TIMING: 3862800 CPU: 11189.6, 0.00285811/step Wall: 11189.6, 0.00285811/step, 0.902847 hours remaining, 211.324219 MB of memory in use. ENERGY: 3862800 750.9536 2140.8116 1942.0924 106.8102 -206343.3000 17889.4683 0.0000 0.0000 34301.0651 -149212.0988 299.5597 -183513.1638 -149110.1999 299.2457 26.6031 62.0146 557739.0277 -14.3040 -14.3259 PRESSURE: 3863000 -57.9383 -13.4674 -66.4669 -13.467 -30.8916 51.1704 -66.4671 51.1702 -26.4231 GPRESSURE: 3863000 2.33905 -52.9904 -23.4903 7.88082 -17.3964 97.3475 -59.6306 -32.0753 -9.75371 PRESSAVG: 3863000 38.5726 -21.8327 -29.2489 -21.8326 -78.7871 6.58894 -29.2489 6.58887 -7.89074 GPRESSAVG: 3863000 37.6187 -18.8563 -28.3746 -21.5524 -80.077 7.2435 -28.8982 6.2639 -6.09672 TIMING: 3863000 CPU: 11190.1, 0.00285727/step Wall: 11190.1, 0.00285727/step, 0.902421 hours remaining, 211.324219 MB of memory in use. ENERGY: 3863000 748.8171 2096.8215 1952.3912 117.7011 -206172.5205 17905.8411 0.0000 0.0000 34269.9857 -149080.9628 299.2883 -183350.9486 -148979.7836 299.6991 -38.4177 -8.2703 559167.4107 -16.0351 -16.1850 PRESSURE: 3863200 -308.466 -108.223 -79.8329 -108.223 -184.92 92.371 -79.8335 92.3718 -62.783 GPRESSURE: 3863200 -294.71 -103.799 -177.413 -86.7659 -125.208 126.251 -62.8457 -1.15052 -60.7264 PRESSAVG: 3863200 39.056 -6.21845 7.46835 -6.21855 -16.7571 23.1712 7.46842 23.1712 -0.773507 GPRESSAVG: 3863200 39.9797 -6.78066 6.75293 -6.78002 -15.4684 21.7653 7.91994 23.7844 -3.19107 TIMING: 3863200 CPU: 11190.7, 0.00286561/step Wall: 11190.7, 0.00286561/step, 0.904897 hours remaining, 211.324219 MB of memory in use. ENERGY: 3863200 728.8668 2111.4325 1936.1321 120.0481 -205584.2001 17461.8822 0.0000 0.0000 34169.1480 -149056.6904 298.4077 -183225.8383 -148957.9589 300.0462 -185.3898 -160.2148 560343.5219 7.1751 7.1067 PRESSURE: 3863400 -206.633 85.4894 -148.665 85.4898 -64.1555 -240.473 -148.666 -240.471 -106.221 GPRESSURE: 3863400 -145.894 -17.5411 -162.168 33.0562 -51.4702 -306.004 -107.997 -264.427 -81.3282 PRESSAVG: 3863400 -25.5916 5.84541 -77.1779 5.8454 -32.9684 -30.4584 -77.1778 -30.4582 -2.40635 GPRESSAVG: 3863400 -27.2002 4.0762 -77.9658 6.24466 -32.2338 -29.8503 -76.8883 -32.216 -1.28541 TIMING: 3863400 CPU: 11191.3, 0.00290019/step Wall: 11191.3, 0.00290019/step, 0.915655 hours remaining, 211.324219 MB of memory in use. ENERGY: 3863400 747.0941 2126.6963 1927.3902 134.9579 -205471.4829 17461.7477 0.0000 0.0000 34092.0612 -148981.5354 297.7344 -183073.5966 -148891.0689 299.2816 -125.6699 -92.8975 560169.1613 -20.3221 -20.2398 PRESSURE: 3863600 -43.1108 -118.05 56.2409 -118.049 -225.586 94.5391 56.2412 94.5396 -14.7551 GPRESSURE: 3863600 -47.7954 -127.217 57.534 5.19689 -146.944 178.249 38.811 11.8463 1.9588 PRESSAVG: 3863600 -7.91358 -1.20242 28.6614 -1.20239 -44.7789 -35.5536 28.6613 -35.5535 45.7181 GPRESSAVG: 3863600 -7.70592 0.10869 28.1427 -0.102114 -45.3637 -34.1885 27.9461 -35.2461 45.7766 TIMING: 3863600 CPU: 11191.9, 0.00288739/step Wall: 11191.9, 0.00288739/step, 0.911454 hours remaining, 211.324219 MB of memory in use. ENERGY: 3863600 767.0177 2084.7490 1931.6300 106.9997 -205971.4440 17635.4986 0.0000 0.0000 34383.8474 -149061.7017 300.2827 -183445.5491 -148964.1601 300.4231 -94.4841 -64.2603 558207.3350 -2.3248 -2.4310 PRESSURE: 3863800 112.849 197.682 -15.6209 197.681 23.6869 -161.365 -15.6214 -161.364 -329.887 GPRESSURE: 3863800 166.1 161.762 -43.7645 179.226 20.9381 -213.424 82.7953 -148.135 -279.919 PRESSAVG: 3863800 -4.5965 97.6147 -37.1102 97.6147 52.9803 -5.73026 -37.1102 -5.73032 -40.0813 GPRESSAVG: 3863800 -4.12837 96.7687 -37.6751 94.9985 53.5488 -6.48767 -36.5124 -3.79397 -41.089 TIMING: 3863800 CPU: 11192.4, 0.00286204/step Wall: 11192.4, 0.00286204/step, 0.903293 hours remaining, 211.324219 MB of memory in use. ENERGY: 3863800 732.8364 2083.5691 1920.4106 132.7606 -206130.2255 17814.0269 0.0000 0.0000 34515.9493 -148930.6726 301.4364 -183446.6219 -148832.0741 300.4619 -64.4503 -30.9603 558055.2226 2.7675 2.7772 PRESSURE: 3864000 -215.229 14.1112 -43.0247 14.1118 -247.615 -51.6464 -43.0248 -51.6479 -205.361 GPRESSURE: 3864000 -171.981 47.4973 -40.1365 10.7956 -196.346 -10.4571 -0.694103 -49.4597 -174.062 PRESSAVG: 3864000 39.4691 47.154 11.5081 47.154 7.67413 13.3899 11.5081 13.3899 -66.2462 GPRESSAVG: 3864000 39.6908 46.7119 13.0745 51.3598 6.53332 14.9171 12.2671 12.4033 -65.2475 TIMING: 3864000 CPU: 11193, 0.00286595/step Wall: 11193, 0.00286595/step, 0.904368 hours remaining, 211.324219 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: 3864000 774.9736 2101.4752 1936.7024 116.4595 -205679.7163 17550.6139 0.0000 0.0000 34362.6833 -148836.8085 300.0979 -183199.4918 -148736.5977 300.5152 -222.7352 -180.7959 559352.7191 -6.3677 -6.3411 PRESSURE: 3864200 -195.346 4.17782 22.0128 4.17835 -74.6059 -6.59301 22.0131 -6.592 -239.961 GPRESSURE: 3864200 -143.952 29.9028 8.69748 -72.5627 -59.7127 -1.32899 64.8437 55.9077 -212.909 PRESSAVG: 3864200 -12.4566 28.1866 -25.7165 28.1865 14.2545 10.9309 -25.7165 10.9308 -31.9683 GPRESSAVG: 3864200 -12.0556 29.1911 -27.6016 24.4867 13.4956 10.6433 -25.5064 9.97035 -31.8798 TIMING: 3864200 CPU: 11193.6, 0.00287018/step Wall: 11193.6, 0.00287018/step, 0.905543 hours remaining, 211.324219 MB of memory in use. ENERGY: 3864200 761.3063 2079.0314 1945.7545 122.4473 -205915.7806 17604.8507 0.0000 0.0000 34265.7588 -149136.6315 299.2514 -183402.3903 -149048.9781 299.5317 -169.9711 -138.8580 557431.7527 -10.0568 -10.1466 LDB: ============= START OF LOAD BALANCING ============== 11197 LDB: ============== END OF LOAD BALANCING =============== 11197 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11197 LDB: ============= START OF LOAD BALANCING ============== 11197.3 LDB: Largest compute 4792 load 0.023348 is 19.8% of average load 0.118031 LDB: Average compute 0.001727 is 1.5% of average load 0.118031 LDB: TIME 11197.3 LOAD: AVG 0.118031 MAX 0.181087 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 11197.3 LOAD: AVG 0.118031 MAX 0.181087 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.062 MB LDB: TIME 11197.3 LOAD: AVG 0.118031 MAX 0.181087 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.062 MB LDB: ============== END OF LOAD BALANCING =============== 11197.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11197.3 PRESSURE: 3864400 -80.3471 121.362 -22.7872 121.364 -298.168 -18.9212 -22.7865 -18.9222 -180.234 GPRESSURE: 3864400 -26.2326 75.0828 -19.8593 174.411 -254.492 13.3319 -86.1617 28.1583 -172.782 PRESSAVG: 3864400 24.7051 23.8875 -35.2856 23.8875 63.8895 11.9195 -35.2856 11.9195 -68.8516 GPRESSAVG: 3864400 23.644 23.4092 -33.0054 24.911 65.5297 10.9127 -35.9895 14.0272 -69.7175 TIMING: 3864400 CPU: 11194.2, 0.00293029/step Wall: 11194.2, 0.00293029/step, 0.924344 hours remaining, 210.863281 MB of memory in use. ENERGY: 3864400 759.8721 2092.5369 1966.7283 109.9371 -205633.1141 17247.6460 0.0000 0.0000 34182.3988 -149273.9949 298.5234 -183456.3937 -149175.9390 299.0829 -186.2498 -151.1689 556586.1940 6.5810 6.4854 PRESSURE: 3864600 -28.0271 26.3566 37.3108 26.3563 -163.275 58.3074 37.3109 58.3089 -141.073 GPRESSURE: 3864600 5.61535 89.5621 119.421 -37.5658 -112.16 81.7369 -27.7009 -7.70431 -125.101 PRESSAVG: 3864600 52.0086 25.5202 -18.4729 25.5202 -12.0308 33.8769 -18.4728 33.8768 22.181 GPRESSAVG: 3864600 52.0478 28.1112 -19.8244 23.5437 -13.0287 35.3153 -18.4402 30.6762 23.271 TIMING: 3864600 CPU: 11194.7, 0.00288797/step Wall: 11194.7, 0.00288797/step, 0.910835 hours remaining, 210.863281 MB of memory in use. ENERGY: 3864600 724.5563 2083.2024 1917.9245 108.3045 -205911.0201 17639.1556 0.0000 0.0000 34387.0147 -149050.8621 300.3104 -183437.8768 -148945.3702 299.3969 -110.7916 -77.2152 558000.7274 20.7196 20.7634 PRESSURE: 3864800 -74.5211 -48.1596 43.8034 -48.1611 157.948 -13.1245 43.8029 -13.1238 85.878 GPRESSURE: 3864800 -7.55536 -13.423 -45.2428 -55.0099 155.443 -22.639 140.629 -25.301 132.41 PRESSAVG: 3864800 -58.0471 -31.1827 8.68828 -31.1826 42.5289 -45.8259 8.6884 -45.8259 -3.60233 GPRESSAVG: 3864800 -57.1797 -32.9874 8.41684 -30.3581 42.4209 -48.6425 9.91542 -44.7861 -4.15728 TIMING: 3864800 CPU: 11195.3, 0.00287086/step Wall: 11195.3, 0.00287086/step, 0.905277 hours remaining, 210.863281 MB of memory in use. ENERGY: 3864800 752.0685 2082.2470 1931.6019 105.7593 -206227.1245 17957.8308 0.0000 0.0000 34302.7600 -149094.8571 299.5745 -183397.6171 -148995.4997 299.9759 56.4350 93.4326 557532.8245 -6.3735 -6.3054 PRESSURE: 3865000 236.875 62.7973 98.1068 62.7975 162.74 -11.8512 98.1069 -11.852 -16.2055 GPRESSURE: 3865000 278.269 41.5802 141.564 -0.563595 158.414 -31.3114 43.2809 -1.3927 41.2961 PRESSAVG: 3865000 -27.3305 30.5008 -18.0342 30.5008 41.8068 5.12641 -18.0341 5.12633 21.774 GPRESSAVG: 3865000 -29.0444 29.3874 -17.2645 32.5186 43.3661 7.24961 -19.5209 6.90006 21.9674 TIMING: 3865000 CPU: 11195.9, 0.0028933/step Wall: 11195.9, 0.0028933/step, 0.912194 hours remaining, 210.863281 MB of memory in use. ENERGY: 3865000 742.4121 2112.2063 1930.8765 109.9675 -206295.9669 17893.5955 0.0000 0.0000 34412.6505 -149094.2585 300.5342 -183506.9089 -149006.0581 300.0074 127.8033 159.3262 557494.1728 12.0834 12.0964 PRESSURE: 3865200 489.834 78.3151 -8.66865 78.3131 192.926 -103.839 -8.66788 -103.84 40.8113 GPRESSURE: 3865200 508.013 30.8003 12.8992 57.4221 204.82 -128.21 41.8902 -34.7635 99.7157 PRESSAVG: 3865200 32.9742 14.9407 12.3 14.9408 -19.5586 2.9794 12.3 2.97938 9.56633 GPRESSAVG: 3865200 33.6462 15.7343 14.364 12.5222 -20.6684 3.51798 13.5823 1.34639 10.141 TIMING: 3865200 CPU: 11196.5, 0.00287075/step Wall: 11196.5, 0.00287075/step, 0.904925 hours remaining, 210.863281 MB of memory in use. ENERGY: 3865200 762.0085 2073.0140 1928.9930 111.8123 -206894.7565 18281.3502 0.0000 0.0000 34538.8734 -149198.7052 301.6366 -183737.5785 -149098.8533 299.5831 241.1904 270.8494 556536.8850 7.6606 7.7062 PRESSURE: 3865400 155.043 21.5967 -129.89 21.5962 -164.152 -58.1488 -129.892 -58.1518 -43.8911 GPRESSURE: 3865400 151.734 59.837 -133.65 -60.3956 -118.967 -22.7171 -149.072 -34.6746 7.93901 PRESSAVG: 3865400 14.3245 -22.8163 -4.41439 -22.8162 25.8266 7.98813 -4.41439 7.98801 -33.2375 GPRESSAVG: 3865400 14.9197 -23.4564 -7.4637 -22.2046 25.0616 7.76204 -4.06722 9.14425 -32.8162 TIMING: 3865400 CPU: 11197, 0.00287438/step Wall: 11197, 0.00287438/step, 0.905908 hours remaining, 210.863281 MB of memory in use. ENERGY: 3865400 758.0119 2105.9438 1951.3973 107.3925 -206585.2351 17933.0013 0.0000 0.0000 34292.3414 -149437.1467 299.4835 -183729.4882 -149337.9843 299.1904 -17.6665 13.5687 557562.6364 2.3045 2.3884 PRESSURE: 3865600 121.494 -102.931 64.3754 -102.931 -21.1486 -149.412 64.3752 -149.411 175.144 GPRESSURE: 3865600 118.408 -0.997161 49.6482 -51.7937 3.79529 -124.245 33.977 -139.823 245.681 PRESSAVG: 3865600 -64.905 75.5433 9.5389 75.5434 -29.6131 1.11947 9.53883 1.11946 57.1812 GPRESSAVG: 3865600 -65.8663 76.5446 11.3212 76.4044 -29.9468 0.745209 8.39993 0.346223 57.3454 TIMING: 3865600 CPU: 11197.6, 0.00285851/step Wall: 11197.6, 0.00285851/step, 0.900747 hours remaining, 210.863281 MB of memory in use. ENERGY: 3865600 721.9843 2080.7733 1930.7113 111.0218 -206255.7059 17859.2060 0.0000 0.0000 34214.3788 -149337.6304 298.8027 -183552.0091 -149236.3144 299.0323 91.8299 122.6281 557165.6824 -12.4456 -12.8226 PRESSURE: 3865800 281.121 13.0727 83.5756 13.0734 -160.355 36.2446 83.5748 36.2448 34.0127 GPRESSURE: 3865800 318.604 48.2743 60.1135 -11.4792 -139.747 70.2404 54.3552 39.1882 77.2156 PRESSAVG: 3865800 23.8132 19.6354 -33.6321 19.6355 -11.8079 -35.4413 -33.632 -35.4412 -43.5683 GPRESSAVG: 3865800 23.9872 20.2617 -32.9661 18.0492 -9.95283 -36.5148 -32.4882 -33.9564 -45.5531 TIMING: 3865800 CPU: 11198.2, 0.00286863/step Wall: 11198.2, 0.00286863/step, 0.903777 hours remaining, 211.066406 MB of memory in use. ENERGY: 3865800 766.2009 2079.8322 1917.0140 104.8530 -206630.1076 18067.1088 0.0000 0.0000 34412.8638 -149282.2347 300.5361 -183695.0985 -149190.5940 299.1378 51.5931 85.3575 556724.0796 -10.5210 -10.5063 PRESSURE: 3866000 2.42006 40.3867 -80.4593 40.3872 122.275 135.254 -80.4596 135.254 -75.454 GPRESSURE: 3866000 68.8252 44.7783 -123.89 2.6754 162.211 155.535 -110.519 211.875 -80.097 PRESSAVG: 3866000 69.5509 18.9324 3.90197 18.9325 -57.9472 5.97642 3.90198 5.97649 18.1233 GPRESSAVG: 3866000 68.8641 18.5105 3.77694 20.979 -58.9282 4.02324 3.44904 4.76692 19.7781 TIMING: 3866000 CPU: 11198.8, 0.00286834/step Wall: 11198.8, 0.00286834/step, 0.903527 hours remaining, 211.066406 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: 3866000 720.7990 2124.7880 1942.8471 110.5218 -206246.7185 17871.3122 0.0000 0.0000 34043.4565 -149432.9939 297.3100 -183476.4504 -149335.2386 299.1432 16.4137 50.3130 557637.9186 9.9090 9.9047 PRESSURE: 3866200 -3.43015 3.12905 -174.587 3.12896 -44.6823 58.6607 -174.587 58.6642 -128.751 GPRESSURE: 3866200 -13.1101 5.15253 -165.452 -16.8281 38.4055 37.2758 -243.424 24.2736 -101.072 PRESSAVG: 3866200 79.3351 -37.4122 -13.9574 -37.4123 36.1817 -16.3782 -13.9573 -16.378 -90.3209 GPRESSAVG: 3866200 80.3907 -39.2486 -15.0902 -38.7123 35.7151 -17.1986 -12.7108 -16.204 -90.8361 TIMING: 3866200 CPU: 11199.3, 0.00286815/step Wall: 11199.3, 0.00286815/step, 0.903307 hours remaining, 211.066406 MB of memory in use. ENERGY: 3866200 738.7218 2040.2755 1985.3310 118.4512 -206487.1838 17778.6539 0.0000 0.0000 34519.9062 -149305.8441 301.4709 -183825.7503 -149205.6611 299.2098 -58.9544 -25.2589 557274.3779 8.3987 8.4232 PRESSURE: 3866400 -32.9543 -11.7812 43.2025 -11.7804 208.883 187.782 43.2016 187.78 -55.7235 GPRESSURE: 3866400 36.5583 -35.7854 85.8759 25.8249 207.943 224.741 2.52909 106.23 -39.3561 PRESSAVG: 3866400 29.6264 0.0449366 -5.6825 0.0448643 21.0017 40.7794 -5.68257 40.7795 -21.047 GPRESSAVG: 3866400 29.6893 0.595434 -4.01893 2.12311 21.9025 43.9554 -8.55711 38.0779 -22.2258 TIMING: 3866400 CPU: 11199.9, 0.00286403/step Wall: 11199.9, 0.00286403/step, 0.901853 hours remaining, 211.066406 MB of memory in use. ENERGY: 3866400 715.3751 2180.7569 1931.4041 120.4138 -206352.5186 17921.1906 0.0000 0.0000 34231.2345 -149252.1435 298.9499 -183483.3780 -149157.7860 299.3000 40.0685 68.3816 559147.1429 9.8604 9.7887 PRESSURE: 3866600 -121.165 97.5899 -47.5186 97.5893 -33.4254 -27.4852 -47.5187 -27.4872 -157.097 GPRESSURE: 3866600 -102.728 92.9033 -50.3491 144.41 -0.846309 -23.9905 -5.19139 -121.281 -106.005 PRESSAVG: 3866600 -16.4728 31.4517 -43.6087 31.4517 24.4475 -62.1712 -43.6087 -62.1712 32.3243 GPRESSAVG: 3866600 -16.5351 31.4113 -45.1841 28.4723 24.7547 -63.6161 -42.4514 -60.9868 32.9998 TIMING: 3866600 CPU: 11200.5, 0.00288063/step Wall: 11200.5, 0.00288063/step, 0.906917 hours remaining, 211.066406 MB of memory in use. ENERGY: 3866600 765.8466 2087.3942 1908.4607 113.4751 -206014.7947 17630.6049 0.0000 0.0000 34120.9316 -149388.0816 297.9866 -183509.0132 -149300.4172 299.1365 -103.8956 -69.8597 558835.2024 13.4330 13.7398 PRESSURE: 3866800 -107.01 -96.9476 50.3379 -96.9482 -93.6037 87.9739 50.3366 87.9746 -149.433 GPRESSURE: 3866800 -70.3366 -80.6046 57.8474 -86.4648 -31.6269 123.129 -66.2866 53.6317 -150.597 PRESSAVG: 3866800 -62.2191 -39.0876 -5.21562 -39.0875 23.3968 13.3822 -5.21563 13.3823 72.579 GPRESSAVG: 3866800 -61.651 -37.8163 -4.77907 -38.2831 22.7828 14.0852 -8.06376 13.9254 73.0896 TIMING: 3866800 CPU: 11201.1, 0.00287573/step Wall: 11201.1, 0.00287573/step, 0.905217 hours remaining, 211.066406 MB of memory in use. ENERGY: 3866800 757.9821 2015.7100 1932.5827 112.5870 -206306.6440 17958.8027 0.0000 0.0000 34195.6475 -149333.3319 298.6391 -183528.9794 -149240.5533 298.8163 -116.6822 -84.1867 559537.1893 11.2523 11.4071 PRESSURE: 3867000 -229.751 -59.9965 -35.0974 -59.9958 -51.8395 -28.9796 -35.0977 -28.9789 120.001 GPRESSURE: 3867000 -216.637 -7.89557 15.6672 -23.3883 10.6008 -112.045 19.9822 -68.5619 155.95 PRESSAVG: 3867000 -49.8003 -8.63173 -33.7674 -8.63179 -21.6182 15.0147 -33.7675 15.0146 54.3515 GPRESSAVG: 3867000 -49.6785 -10.2274 -34.6495 -6.22865 -21.5296 14.5184 -31.767 14.1005 54.1035 TIMING: 3867000 CPU: 11201.6, 0.00288315/step Wall: 11201.6, 0.00288315/step, 0.907392 hours remaining, 211.066406 MB of memory in use. ENERGY: 3867000 765.6601 2078.1064 1973.1307 119.4725 -206473.8427 17857.9668 0.0000 0.0000 34258.4718 -149421.0344 299.1878 -183679.5061 -149317.6587 298.7026 -53.8631 -16.6951 557682.1240 -5.6890 -5.7015 PRESSURE: 3867200 -117.485 -144.403 -42.5512 -144.403 85.5182 -58.8859 -42.551 -58.8871 -47.6339 GPRESSURE: 3867200 -136.076 -97.1073 -1.75348 -139.191 137.522 -0.819432 -128.832 -120.99 14.8995 PRESSAVG: 3867200 -5.21173 5.81481 0.890771 5.81485 -12.6401 -22.3501 0.890817 -22.3502 25.0535 GPRESSAVG: 3867200 -5.10021 6.88286 2.74003 3.32468 -13.9437 -21.431 0.134419 -22.4509 26.5093 TIMING: 3867200 CPU: 11202.2, 0.00288506/step Wall: 11202.2, 0.00288506/step, 0.907831 hours remaining, 211.066406 MB of memory in use. ENERGY: 3867200 710.7341 2105.1858 1924.5009 128.1509 -206416.8206 17904.4189 0.0000 0.0000 34165.7370 -149478.0930 298.3779 -183643.8300 -149378.0627 298.3690 -26.5335 5.4487 557463.0837 2.4006 2.4885 PRESSURE: 3867400 68.628 -57.264 176.81 -57.264 121.229 131.931 176.811 131.932 -126.999 GPRESSURE: 3867400 82.7615 -92.4476 125.344 -26.7064 149.553 30.4936 268.868 220.889 -88.4225 PRESSAVG: 3867400 4.5551 -50.3117 29.0876 -50.3117 -12.045 0.28482 29.0876 0.284811 -36.8125 GPRESSAVG: 3867400 3.32246 -48.4362 29.4055 -49.384 -10.3129 -2.22174 29.361 0.994351 -37.5704 TIMING: 3867400 CPU: 11202.8, 0.00287084/step Wall: 11202.8, 0.00287084/step, 0.903199 hours remaining, 211.066406 MB of memory in use. ENERGY: 3867400 704.3661 2041.7112 1940.5542 125.2295 -206238.1234 17866.5019 0.0000 0.0000 34166.8915 -149392.8690 298.3880 -183559.7605 -149296.3605 298.4975 20.9526 47.9641 558501.8746 -14.7675 -14.8536 PRESSURE: 3867600 -222.154 -21.2549 -10.5722 -21.2554 70.5208 59.8574 -10.5731 59.8589 34.311 GPRESSURE: 3867600 -202.997 -61.5265 78.5908 81.8885 72.8015 87.3197 -65.6872 52.9034 116.575 PRESSAVG: 3867600 38.7437 40.7262 64.6904 40.7262 35.7991 18.3565 64.6904 18.3567 -47.6007 GPRESSAVG: 3867600 40.3143 36.6258 62.6437 42.512 34.619 19.1355 64.7438 17.908 -47.781 TIMING: 3867600 CPU: 11203.4, 0.00287162/step Wall: 11203.4, 0.00287162/step, 0.903285 hours remaining, 211.066406 MB of memory in use. ENERGY: 3867600 750.4574 2101.4507 1925.0317 116.9535 -206204.0168 17814.3831 0.0000 0.0000 34321.8044 -149173.9360 299.7409 -183495.7404 -149087.8704 299.4801 -39.1074 -4.5402 558150.0843 8.9807 9.0508 PRESSURE: 3867800 -39.4333 165.587 -59.55 165.588 -90.0063 -262.668 -59.5507 -262.669 192.984 GPRESSURE: 3867800 27.9054 181.267 -5.04733 154.623 -67.3501 -323.287 -76.0374 -173.953 195.427 PRESSAVG: 3867800 31.3564 8.50464 -25.1249 8.50466 1.52536 -31.2036 -25.1249 -31.2035 -68.5614 GPRESSAVG: 3867800 30.7485 9.00021 -21.2195 8.30169 1.84804 -30.4445 -26.2415 -29.6322 -68.1389 TIMING: 3867800 CPU: 11203.9, 0.00287106/step Wall: 11203.9, 0.00287106/step, 0.902949 hours remaining, 211.066406 MB of memory in use. ENERGY: 3867800 743.3361 2102.3142 1966.4119 116.1768 -206109.9169 17802.9605 0.0000 0.0000 34308.3588 -149070.3584 299.6234 -183378.7173 -148973.1450 299.2716 21.1815 51.9942 557684.2140 -11.8932 -11.8475 PRESSURE: 3868000 93.0593 -73.2317 98.7118 -73.2318 344.745 -73.344 98.7126 -73.3434 -32.9663 GPRESSURE: 3868000 133.717 -116.371 45.0466 -129.845 312.374 -34.7766 108.204 -93.2227 46.5979 PRESSAVG: 3868000 50.7728 32.4956 17.2764 32.4957 4.43865 -48.1137 17.2764 -48.1138 -56.8629 GPRESSAVG: 3868000 52.3757 32.4515 14.1166 32.793 4.24309 -47.9 19.0738 -48.4144 -57.8768 TIMING: 3868000 CPU: 11204.5, 0.00287889/step Wall: 11204.5, 0.00287889/step, 0.905251 hours remaining, 211.066406 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: 3868000 753.7263 2066.9782 1941.7978 102.0493 -205870.6806 17744.4866 0.0000 0.0000 34236.3316 -149025.3107 298.9944 -183261.6423 -148928.3282 299.1219 134.9461 164.2297 557578.8058 -0.5505 -0.4194 PRESSURE: 3868200 -16.7279 -49.451 -88.609 -49.4507 151.534 15.0448 -88.6084 15.0451 130.381 GPRESSURE: 3868200 26.8956 -36.4511 -51.666 -68.9395 158.435 69.7452 -89.2435 -80.3917 171.621 PRESSAVG: 3868200 -23.4972 0.29444 -12.9769 0.294528 -1.27459 -52.3877 -12.9768 -52.3876 17.7538 GPRESSAVG: 3868200 -24.1824 0.337357 -11.0326 -1.0655 -0.677885 -52.6827 -13.3696 -55.5074 17.7406 TIMING: 3868200 CPU: 11205.1, 0.00289467/step Wall: 11205.1, 0.00289467/step, 0.910051 hours remaining, 211.066406 MB of memory in use. ENERGY: 3868200 742.2907 2124.3607 1934.5682 105.8605 -206186.4881 17883.6953 0.0000 0.0000 34283.4809 -149112.2319 299.4062 -183395.7128 -149020.4195 298.9525 88.3958 118.9841 556032.7775 -2.3393 -2.3732 LDB: ============= START OF LOAD BALANCING ============== 11208.5 LDB: ============== END OF LOAD BALANCING =============== 11208.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11208.5 LDB: ============= START OF LOAD BALANCING ============== 11208.8 LDB: Largest compute 4792 load 0.025311 is 21.5% of average load 0.117965 LDB: Average compute 0.001730 is 1.5% of average load 0.117965 LDB: TIME 11208.8 LOAD: AVG 0.117965 MAX 0.178249 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 11208.8 LOAD: AVG 0.117965 MAX 0.178249 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 11208.8 LOAD: AVG 0.117965 MAX 0.178249 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 11208.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11208.8 PRESSURE: 3868400 -45.1402 -21.318 50.0866 -21.3189 -100.591 12.7517 50.0868 12.7507 -229.891 GPRESSURE: 3868400 -50.1959 -47.6213 121.477 -63.5047 -44.4619 -80.0251 42.6672 80.6053 -186.915 PRESSAVG: 3868400 8.79385 27.4398 -17.9321 27.4399 50.1008 5.47665 -17.9321 5.47668 -62.733 GPRESSAVG: 3868400 9.29765 27.4917 -19.4345 27.4892 49.7536 3.84 -18.331 7.09012 -63.1891 TIMING: 3868400 CPU: 11205.7, 0.00294726/step Wall: 11205.7, 0.00294726/step, 0.926421 hours remaining, 211.179688 MB of memory in use. ENERGY: 3868400 753.6366 2063.6554 1909.4406 111.5451 -205586.4775 17597.6823 0.0000 0.0000 34002.7690 -149147.7486 296.9546 -183150.5176 -149050.4918 298.5514 -125.2076 -93.8575 557504.6172 -1.2794 -1.3793 PRESSURE: 3868600 -222.975 152.718 143.169 152.719 85.262 -39.3735 143.17 -39.3753 -53.7843 GPRESSURE: 3868600 -176.801 65.6283 142.218 160.597 72.9703 -15.0169 157.764 -90.4364 11.1362 PRESSAVG: 3868600 43.0381 30.6313 84.9978 30.6313 -37.8957 -27.9314 84.9978 -27.9315 3.49675 GPRESSAVG: 3868600 43.0641 31.2407 85.4536 29.8156 -37.2515 -26.2701 85.1625 -28.9453 3.45606 TIMING: 3868600 CPU: 11206.3, 0.00290524/step Wall: 11206.3, 0.00290524/step, 0.913053 hours remaining, 211.324219 MB of memory in use. ENERGY: 3868600 758.2825 2064.7552 1915.9165 109.3457 -205997.9100 17645.4186 0.0000 0.0000 34314.4176 -149189.7737 299.6763 -183504.1914 -149087.3805 299.2865 -63.8325 -30.8983 556905.7372 2.8797 3.0895 PRESSURE: 3868800 -59.5153 -0.27771 -196.483 -0.276668 -77.2923 -100.675 -196.483 -100.676 204.624 GPRESSURE: 3868800 -43.3862 -65.574 -172.341 -45.9664 -55.1446 -41.0103 -134.084 -126.281 258.664 PRESSAVG: 3868800 -5.2141 -5.23359 20.7149 -5.23354 -25.491 20.5598 20.715 20.5597 81.3414 GPRESSAVG: 3868800 -3.53413 -5.68255 21.9694 -3.73017 -27.2517 20.4784 21.0555 21.2122 81.5574 TIMING: 3868800 CPU: 11206.8, 0.00287246/step Wall: 11206.8, 0.00287246/step, 0.902591 hours remaining, 211.324219 MB of memory in use. ENERGY: 3868800 722.4255 2131.3602 1927.4266 105.1207 -205962.3073 17818.4939 0.0000 0.0000 34091.3107 -149166.1697 297.7279 -183257.4804 -149063.4292 299.1077 22.6053 53.3776 557172.1114 16.8788 16.9239 PRESSURE: 3869000 -91.3926 -42.5341 94.8122 -42.5323 -281.297 98.7897 94.8142 98.7874 -7.66194 GPRESSURE: 3869000 -77.6699 39.1035 97.8432 -74.7083 -230.78 56.227 114.912 92.0299 24.0372 PRESSAVG: 3869000 13.887 -22.9682 9.06704 -22.9682 -76.8061 11.2853 9.06701 11.2853 37.2083 GPRESSAVG: 3869000 11.9595 -22.4631 7.43408 -22.3645 -75.8687 9.68996 10.123 12.5471 37.9086 TIMING: 3869000 CPU: 11207.4, 0.00289689/step Wall: 11207.4, 0.0028969/step, 0.910108 hours remaining, 211.324219 MB of memory in use. ENERGY: 3869000 716.8713 2078.9018 1933.9210 104.7607 -205614.9244 17537.3940 0.0000 0.0000 34193.5571 -149049.5186 298.6208 -183243.0757 -148960.2678 299.1161 -126.7839 -94.8041 558117.3144 -8.5702 -8.6668 PRESSURE: 3869200 -89.6721 28.1399 -56.5731 28.1392 -137.394 102.719 -56.5735 102.718 -142.249 GPRESSURE: 3869200 -69.2131 76.7238 9.2341 33.3708 -64.2743 11.1286 -116.017 180.002 -148.595 PRESSAVG: 3869200 104.637 -55.1782 30.402 -55.1782 -62.2548 91.1034 30.4019 91.1034 -19.2352 GPRESSAVG: 3869200 105.442 -55.2308 32.0187 -57.9951 -63.5951 93.8155 28.1547 88.8825 -18.6798 TIMING: 3869200 CPU: 11208, 0.00289181/step Wall: 11208, 0.00289181/step, 0.908351 hours remaining, 211.324219 MB of memory in use. ENERGY: 3869200 765.4634 2097.5040 1915.6020 112.2239 -206081.8433 17709.4122 0.0000 0.0000 34359.0956 -149122.5422 300.0665 -183481.6378 -149014.2572 299.8543 -123.1051 -94.0275 558515.6744 7.7158 7.7225 PRESSURE: 3869400 -157.804 -138.683 -207.449 -138.683 -109.558 62.9589 -207.448 62.9581 -263.933 GPRESSURE: 3869400 -183.663 -159.92 -145.71 -76.5853 -95.647 53.1726 -138.888 106.084 -157.563 PRESSAVG: 3869400 26.2368 -34.5839 31.5112 -34.5838 -23.7725 -16.9373 31.5112 -16.9374 -8.55527 GPRESSAVG: 3869400 25.349 -36.1595 32.4668 -32.7954 -22.0238 -18.8534 31.4091 -16.7582 -9.12195 TIMING: 3869400 CPU: 11208.6, 0.00286541/step Wall: 11208.6, 0.00286541/step, 0.899899 hours remaining, 211.324219 MB of memory in use. ENERGY: 3869400 763.8139 2087.1958 1933.2718 107.9266 -205715.6967 17508.0399 0.0000 0.0000 34351.5260 -148963.9228 300.0004 -183315.4488 -148875.0440 299.6270 -177.0981 -145.6244 559397.5334 -2.0303 -1.9323 PRESSURE: 3869600 68.7492 -72.3934 -58.1355 -72.393 -37.8378 -48.8559 -58.1354 -48.8565 -270.203 GPRESSURE: 3869600 107.242 -103.545 -60.4741 13.5301 -36.1969 -24.849 -155.218 -12.3702 -224.713 PRESSAVG: 3869600 8.34435 -89.0444 -3.93377 -89.0445 -16.0126 25.0438 -3.93379 25.0439 37.5646 GPRESSAVG: 3869600 9.35806 -87.9691 -7.21983 -87.3212 -16.6963 25.6091 -0.783322 25.9085 37.0805 TIMING: 3869600 CPU: 11209.1, 0.0028713/step Wall: 11209.1, 0.0028713/step, 0.901587 hours remaining, 211.324219 MB of memory in use. ENERGY: 3869600 730.8504 2176.0439 1909.3527 109.7474 -205848.9616 17717.2215 0.0000 0.0000 34172.8200 -149032.9258 298.4397 -183205.7458 -148933.8112 299.6581 -79.7639 -51.2228 558031.9385 9.9654 9.9141 PRESSURE: 3869800 -447.206 -62.2395 -36.4376 -62.2404 -349.736 83.1835 -36.4399 83.1837 -240.38 GPRESSURE: 3869800 -408.399 -90.2471 -32.6547 -85.7098 -374.212 46.2118 -128.629 96.438 -154.721 PRESSAVG: 3869800 -7.92848 -36 -8.52487 -36 -10.2364 16.3299 -8.52489 16.3299 15.2961 GPRESSAVG: 3869800 -7.96934 -35.7198 -5.75998 -35.3153 -10.5981 15.8551 -9.0305 15.3755 15.9491 TIMING: 3869800 CPU: 11209.7, 0.00286844/step Wall: 11209.7, 0.00286844/step, 0.90053 hours remaining, 211.324219 MB of memory in use. ENERGY: 3869800 776.6745 2071.0869 1914.8729 117.7123 -205597.2087 17367.8738 0.0000 0.0000 34311.2672 -149037.7211 299.6488 -183348.9883 -148937.4262 299.8776 -345.7742 -312.4442 558912.4807 -0.9563 -0.8728 PRESSURE: 3870000 -246.76 21.1937 86.8928 21.1951 -74.2091 -113.697 86.891 -113.696 3.24999 GPRESSURE: 3870000 -218.279 39.3498 5.05907 4.01138 1.9918 -63.9821 140.628 -70.0537 3.5505 PRESSAVG: 3870000 5.66657 -24.133 -13.3751 -24.1329 21.3676 34.7508 -13.3752 34.7508 -43.3567 GPRESSAVG: 3870000 5.01137 -23.4241 -14.6155 -24.3555 21.7512 35.4579 -13.5967 35.4406 -43.5992 TIMING: 3870000 CPU: 11210.3, 0.00286897/step Wall: 11210.3, 0.00286897/step, 0.900537 hours remaining, 211.324219 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: 3870000 762.2816 2033.7625 1942.9536 118.8414 -205675.7210 17416.9610 0.0000 0.0000 34464.2267 -148936.6942 300.9847 -183400.9209 -148840.0659 300.2810 -105.9065 -70.9121 557635.1957 -5.4408 -5.6122 PRESSURE: 3870200 -47.0031 2.07738 -115.819 2.07722 16.6809 -88.1128 -115.818 -88.1117 -6.2849 GPRESSURE: 3870200 -10.5783 -35.7675 -70.9567 -16.9814 68.3933 -118.988 -145.072 28.6493 6.40439 PRESSAVG: 3870200 70.0098 41.5607 12.0659 41.5607 9.17593 -18.4616 12.0658 -18.4616 -76.884 GPRESSAVG: 3870200 70.0923 43.1547 11.6006 38.3527 8.83453 -18.5125 12.1608 -17.9306 -76.5922 TIMING: 3870200 CPU: 11210.9, 0.00286498/step Wall: 11210.9, 0.00286498/step, 0.899127 hours remaining, 211.324219 MB of memory in use. ENERGY: 3870200 750.4199 2062.9396 1919.8557 107.5801 -205823.8484 17718.1681 0.0000 0.0000 34311.4979 -148953.3870 299.6508 -183264.8849 -148862.5564 299.9262 -12.2024 21.4065 557600.1639 0.7673 0.7782 PRESSURE: 3870400 -271.068 -0.769693 -9.53444 -0.769619 -137.722 -41.3311 -9.53493 -41.3315 -115.126 GPRESSURE: 3870400 -182 102.323 -23.8568 34.2105 -157.8 -10.5901 -4.58191 -97.5229 -94.466 PRESSAVG: 3870400 30.7954 -10.7509 -12.7623 -10.751 43.8755 -39.1643 -12.7623 -39.1643 -40.0839 GPRESSAVG: 3870400 30.5684 -11.8073 -12.5985 -8.24086 43.8937 -39.1415 -15.0492 -38.7357 -40.06 TIMING: 3870400 CPU: 11211.4, 0.00289834/step Wall: 11211.4, 0.00289834/step, 0.909435 hours remaining, 211.324219 MB of memory in use. ENERGY: 3870400 755.9033 2062.2838 1924.6037 136.8989 -205540.9008 17556.1162 0.0000 0.0000 34082.3915 -149022.7034 297.6500 -183105.0949 -148931.8183 300.1182 -174.6386 -144.7555 559245.2246 11.5290 11.4674 PRESSURE: 3870600 -121.368 58.9891 0.615918 58.9895 -154.416 -49.202 0.616173 -49.2021 -7.35332 GPRESSURE: 3870600 -145.592 60.3895 68.4239 61.3096 -108.841 -85.7053 -42.8667 -8.82599 55.1778 PRESSAVG: 3870600 -35.2837 12.0504 18.5667 12.0505 8.32493 -37.3561 18.5666 -37.3561 9.67229 GPRESSAVG: 3870600 -35.7887 12.3532 19.6593 9.89407 8.869 -37.3341 18.8958 -37.8436 9.25919 TIMING: 3870600 CPU: 11212, 0.00287448/step Wall: 11212, 0.00287448/step, 0.901788 hours remaining, 211.324219 MB of memory in use. ENERGY: 3870600 735.6311 2094.2256 1931.2232 103.3833 -205781.0593 17556.1159 0.0000 0.0000 34429.4570 -148931.0231 300.6810 -183360.4801 -148833.6122 299.4691 -94.3790 -66.4184 558094.5032 -5.7622 -5.8868 PRESSURE: 3870800 -64.9029 32.7757 -20.9411 32.7748 164.16 88.2376 -20.942 88.2382 67.9765 GPRESSURE: 3870800 -80.4106 26.4614 -29.8056 69.157 191.292 86.2485 36.3561 87.0162 155.132 PRESSAVG: 3870800 -43.9402 38.1777 7.03196 38.1777 -34.5643 -33.2928 7.03188 -33.2928 59.5673 GPRESSAVG: 3870800 -43.9056 36.6314 8.05478 40.0193 -34.225 -32.8368 6.70879 -32.7837 58.576 TIMING: 3870800 CPU: 11212.6, 0.00288555/step Wall: 11212.6, 0.00288555/step, 0.905102 hours remaining, 211.324219 MB of memory in use. ENERGY: 3870800 748.7293 2089.9946 1935.8391 106.2589 -206145.1227 17968.0150 0.0000 0.0000 34470.6141 -148825.6717 301.0404 -183296.2858 -148733.6290 300.8309 55.7446 88.6709 558864.0762 -6.3124 -6.5182 PRESSURE: 3871000 79.244 116.089 56.0503 116.09 -135.993 -21.7818 56.0511 -21.7808 -245.714 GPRESSURE: 3871000 91.3686 121.677 65.2499 79.9401 -102.634 -54.2129 10.5473 -36.7758 -191.294 PRESSAVG: 3871000 53.1811 9.26447 -10.8554 9.26443 -29.1366 23.0607 -10.8553 23.0606 -3.64919 GPRESSAVG: 3871000 53.8478 11.2068 -11.446 8.62619 -30.783 20.4775 -10.5726 25.5131 -2.7932 TIMING: 3871000 CPU: 11213.2, 0.00290054/step Wall: 11213.2, 0.00290054/step, 0.909641 hours remaining, 211.324219 MB of memory in use. ENERGY: 3871000 770.5194 2098.9487 1925.3382 112.4275 -205923.9666 17700.4827 0.0000 0.0000 34588.9280 -148727.3220 302.0737 -183316.2500 -148634.7424 299.8919 -100.8211 -67.5197 557608.3517 6.7984 6.7572 PRESSURE: 3871200 410.56 5.19167 1.90719 5.19301 106.782 -27.9046 1.90712 -27.9037 -172.615 GPRESSURE: 3871200 422.311 37.7096 100.504 -41.6428 90.3012 24.3442 -43.3959 39.6376 -85.6679 PRESSAVG: 3871200 98.1453 -12.6188 -17.4325 -12.6188 -62.6295 47.1604 -17.4326 47.1605 -4.94175 GPRESSAVG: 3871200 96.3766 -12.2079 -16.5338 -13.9141 -60.8519 48.9197 -17.6931 43.8549 -4.68784 TIMING: 3871200 CPU: 11213.7, 0.00288346/step Wall: 11213.7, 0.00288346/step, 0.904126 hours remaining, 211.324219 MB of memory in use. ENERGY: 3871200 746.2624 2133.3139 1947.2565 122.0746 -205911.0793 17805.7969 0.0000 0.0000 34507.8332 -148648.5419 301.3655 -183156.3750 -148554.6659 300.8125 114.9091 142.3148 558064.5617 10.1914 10.2790 PRESSURE: 3871400 -54.2953 103.067 78.9151 103.067 -5.03568 -4.97632 78.9156 -4.97633 -43.6172 GPRESSURE: 3871400 -0.614165 149.079 9.61186 -1.62127 39.058 -8.43988 55.3354 -21.7816 -40.183 PRESSAVG: 3871400 35.3767 -21.1761 24.8963 -21.1761 -22.6864 12.6434 24.8962 12.6435 -20.337 GPRESSAVG: 3871400 37.2866 -22.0711 22.8032 -21.2579 -23.314 12.8227 26.5529 12.1334 -21.1933 TIMING: 3871400 CPU: 11214.3, 0.00287798/step Wall: 11214.3, 0.00287798/step, 0.902248 hours remaining, 211.324219 MB of memory in use. ENERGY: 3871400 765.3889 2137.4555 1951.3976 103.8483 -205557.5964 17529.4417 0.0000 0.0000 34309.5873 -148760.4772 299.6342 -183070.0645 -148658.8781 300.1597 -34.3161 -0.5797 557168.0646 -2.5489 -2.4069 PRESSURE: 3871600 -109.2 -45.2878 38.1547 -45.288 204.412 13.4288 38.1552 13.4283 -200.093 GPRESSURE: 3871600 -58.6895 -83.1849 78.3399 -134.762 192.987 57.6266 100.301 -1.43131 -147.111 PRESSAVG: 3871600 72.5899 -11.9107 -7.44667 -11.9106 -14.1249 17.0007 -7.44668 17.0006 -78.6149 GPRESSAVG: 3871600 71.3867 -11.5302 -4.61472 -13.2589 -14.4454 17.9275 -10.9098 17.4998 -76.9412 TIMING: 3871600 CPU: 11214.9, 0.00287953/step Wall: 11214.9, 0.00287953/step, 0.902572 hours remaining, 211.324219 MB of memory in use. ENERGY: 3871600 756.5025 2119.3345 1938.4329 116.6235 -206025.4263 17828.3027 0.0000 0.0000 34382.6927 -148883.5375 300.2726 -183266.2303 -148796.2217 300.6825 -34.9600 -4.2710 559049.0559 -6.7166 -6.6666 PRESSURE: 3871800 5.41378 -134.08 -38.9152 -134.08 17.9236 301.392 -38.9154 301.392 93.239 GPRESSURE: 3871800 8.24528 -103.059 -111.613 -94.8296 47.0295 256.321 45.7215 262.826 161.305 PRESSAVG: 3871800 32.9028 -38.5756 18.2788 -38.5756 -22.2589 17.5791 18.2788 17.579 -40.9017 GPRESSAVG: 3871800 31.9691 -40.0241 15.8792 -35.8566 -21.0957 17.1414 21.9016 17.6138 -41.336 TIMING: 3871800 CPU: 11215.5, 0.00287575/step Wall: 11215.5, 0.00287575/step, 0.901227 hours remaining, 211.324219 MB of memory in use. ENERGY: 3871800 720.8629 2132.2610 1925.5066 118.1426 -206226.0716 17936.4278 0.0000 0.0000 34352.2332 -149040.6376 300.0066 -183392.8707 -148943.3554 299.2811 38.8588 72.1931 558280.1988 -10.0859 -10.1542 PRESSURE: 3872000 21.1482 77.9644 88.997 77.9634 -194.7 117.426 88.9965 117.425 11.5481 GPRESSURE: 3872000 63.1864 76.5924 124.873 107.861 -153.579 217.321 47.5613 74.558 16.5675 PRESSAVG: 3872000 35.2206 27.8764 -14.1474 27.8763 -26.794 49.8611 -14.1474 49.8612 3.03414 GPRESSAVG: 3872000 35.7562 29.3723 -11.9248 26.9011 -28.132 51.0326 -15.2735 49.8342 4.25209 TIMING: 3872000 CPU: 11216, 0.00286557/step Wall: 11216, 0.00286557/step, 0.897878 hours remaining, 211.324219 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: 3872000 764.6741 2123.8140 1920.1161 113.3726 -206119.0500 17875.4931 0.0000 0.0000 34410.5636 -148911.0165 300.5160 -183321.5801 -148810.4889 299.8822 -54.0012 -24.6083 557168.1651 3.8202 3.9588 PRESSURE: 3872200 217.147 -29.3311 -22.1858 -29.3317 288.449 130.466 -22.1856 130.465 101.521 GPRESSURE: 3872200 279.593 2.58991 -95.6821 10.2997 306.033 174.574 28.0519 115.212 111.694 PRESSAVG: 3872200 -12.9529 4.25691 10.0961 4.25688 39.224 19.7679 10.096 19.768 -8.26526 GPRESSAVG: 3872200 -12.2085 4.25662 8.53656 5.09889 40.4051 16.3418 10.0576 21.2334 -10.0873 TIMING: 3872200 CPU: 11216.6, 0.00286485/step Wall: 11216.6, 0.00286485/step, 0.897493 hours remaining, 211.324219 MB of memory in use. ENERGY: 3872200 772.7077 2079.2277 1947.0984 104.3580 -206266.2514 18118.3567 0.0000 0.0000 34511.6725 -148732.8305 301.3990 -183244.5029 -148634.1931 300.5505 202.3724 232.4401 557178.5881 6.0019 6.0364 LDB: ============= START OF LOAD BALANCING ============== 11220 LDB: ============== END OF LOAD BALANCING =============== 11220 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11220 LDB: ============= START OF LOAD BALANCING ============== 11220.3 LDB: Largest compute 4773 load 0.023816 is 20.2% of average load 0.118024 LDB: Average compute 0.001721 is 1.5% of average load 0.118024 LDB: TIME 11220.3 LOAD: AVG 0.118024 MAX 0.181396 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 11220.3 LOAD: AVG 0.118024 MAX 0.181396 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: TIME 11220.3 LOAD: AVG 0.118024 MAX 0.181396 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: ============== END OF LOAD BALANCING =============== 11220.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11220.3 PRESSURE: 3872400 -5.26784 0.274951 -14.3735 0.274157 1.7801 70.0951 -14.3738 70.0949 -83.0648 GPRESSURE: 3872400 -2.99694 -41.2776 -0.630128 70.9944 45.5549 105.334 76.5284 -11.0595 -41.7661 PRESSAVG: 3872400 120.082 -21.3022 30.4664 -21.3022 -44.7904 16.6373 30.4663 16.6373 -72.5178 GPRESSAVG: 3872400 119.728 -23.3112 31.6601 -21.1595 -44.7591 19.8765 30.6622 16.3251 -72.5868 TIMING: 3872400 CPU: 11217.2, 0.00292195/step Wall: 11217.2, 0.00292195/step, 0.915219 hours remaining, 211.632812 MB of memory in use. ENERGY: 3872400 783.5343 2119.8717 1918.9157 106.5510 -205717.2015 17727.6025 0.0000 0.0000 34178.6226 -148882.1037 298.4904 -183060.7262 -148795.1008 300.2861 -28.8509 0.2640 558299.8105 0.9245 0.7939 PRESSURE: 3872600 -117.988 86.3132 73.2268 86.3153 -48.261 -91.0674 73.2271 -91.0659 -95.5919 GPRESSURE: 3872600 -23.48 -7.13023 61.3663 -0.713423 -76.6913 -52.718 73.1614 -74.6651 -49.646 PRESSAVG: 3872600 62.1652 -20.3868 22.922 -20.3868 -10.6413 48.9138 22.922 48.9137 -26.2027 GPRESSAVG: 3872600 62.9074 -19.98 24.6002 -21.6954 -11.9431 48.6927 20.2441 48.0571 -25.2169 TIMING: 3872600 CPU: 11217.8, 0.00287705/step Wall: 11217.8, 0.00287705/step, 0.900996 hours remaining, 211.632812 MB of memory in use. ENERGY: 3872600 760.2035 2098.3656 1954.5335 119.0170 -206076.7228 17873.7195 0.0000 0.0000 34346.5662 -148924.3174 299.9571 -183270.8836 -148834.8883 300.4155 -87.2801 -49.9391 557450.1311 8.4404 8.5825 PRESSURE: 3872800 35.4177 98.0084 -124.686 98.0078 130.589 -195.394 -124.686 -195.393 259.06 GPRESSURE: 3872800 1.88458 6.95473 -215.863 152.415 214.166 -108.953 -102.182 -280.426 295.103 PRESSAVG: 3872800 108.061 -5.48745 8.8739 -5.48745 -26.2914 -31.6173 8.87385 -31.6174 -55.5 GPRESSAVG: 3872800 107.967 -6.45948 6.0768 -1.94715 -26.5421 -33.2581 11.4786 -30.2543 -55.1041 TIMING: 3872800 CPU: 11218.4, 0.00288579/step Wall: 11218.4, 0.00288579/step, 0.903574 hours remaining, 211.632812 MB of memory in use. ENERGY: 3872800 794.1052 2082.5146 1916.5250 124.6005 -206220.1941 17911.9020 0.0000 0.0000 34388.5823 -149001.9644 300.3240 -183390.5468 -148906.2783 300.0950 141.6887 170.3845 557595.3287 8.7564 8.7737 PRESSURE: 3873000 19.7465 44.5918 -36.2764 44.5928 -34.1587 -54.2403 -36.276 -54.2404 85.9445 GPRESSURE: 3873000 53.6443 0.12381 -158.093 36.565 10.445 -38.1297 88.4716 -26.0505 114.463 PRESSAVG: 3873000 -36.1851 -30.8488 2.40154 -30.8488 28.3212 -58.6146 2.40156 -58.6148 -38.4062 GPRESSAVG: 3873000 -35.491 -29.3256 1.26494 -33.6776 29.039 -57.7273 2.24076 -59.0905 -39.4597 TIMING: 3873000 CPU: 11218.9, 0.00287021/step Wall: 11218.9, 0.00287021/step, 0.898534 hours remaining, 211.632812 MB of memory in use. ENERGY: 3873000 750.0407 2062.9518 1912.8617 111.3304 -206330.2117 17911.6126 0.0000 0.0000 34567.1391 -149014.2754 301.8834 -183581.4145 -148919.9264 300.1344 23.8441 59.5173 557273.2744 -15.4234 -15.3039 PRESSURE: 3873200 74.877 -93.2501 2.54171 -93.2507 -0.437601 42.1703 2.54262 42.17 70.506 GPRESSURE: 3873200 148.369 -75.7687 -62.7545 -182.943 -27.9416 20.3272 83.458 40.8857 118.488 PRESSAVG: 3873200 93.7422 -24.341 -36.4312 -24.341 -58.3756 -6.32872 -36.4311 -6.32867 -70.9718 GPRESSAVG: 3873200 92.5913 -23.0463 -35.448 -24.5322 -58.617 -4.88125 -35.0561 -7.69891 -69.461 TIMING: 3873200 CPU: 11219.5, 0.00287241/step Wall: 11219.5, 0.00287241/step, 0.899063 hours remaining, 211.632812 MB of memory in use. ENERGY: 3873200 760.9814 2083.3530 1943.3856 124.3504 -206047.8888 17760.3421 0.0000 0.0000 34237.2171 -149138.2592 299.0021 -183375.4763 -149037.3534 300.0575 48.3151 79.6384 557614.0952 -11.8684 -11.8289 PRESSURE: 3873400 -0.304756 75.9011 5.78645 75.9014 -39.9065 179.457 5.78645 179.458 -118.596 GPRESSURE: 3873400 29.5047 76.0854 -41 100.309 -10.843 107.669 81.5229 242.611 -79.1238 PRESSAVG: 3873400 33.167 -40.2818 -12.3225 -40.2818 16.4146 35.6382 -12.3226 35.6381 -33.8695 GPRESSAVG: 3873400 33.0347 -38.5791 -12.63 -39.8969 16.4771 35.3028 -13.7772 37.1413 -34.2164 TIMING: 3873400 CPU: 11220.1, 0.0029001/step Wall: 11220.1, 0.0029001/step, 0.90757 hours remaining, 211.632812 MB of memory in use. ENERGY: 3873400 760.2804 2125.7363 1941.4008 111.4249 -205972.3695 17611.9894 0.0000 0.0000 34182.1880 -149239.3496 298.5215 -183421.5376 -149145.3079 299.8081 -52.9357 -20.1540 557054.9993 5.2374 5.0985 PRESSURE: 3873600 297.89 -21.6839 -64.0116 -21.6848 -207.13 100.086 -64.0133 100.085 10.3585 GPRESSURE: 3873600 299.976 35.4416 -42.7009 -19.6449 -146.091 127.749 -132.8 -22.4238 38.045 PRESSAVG: 3873600 21.5066 57.4346 -3.44737 57.4346 -7.15978 66.9492 -3.44731 66.9491 -4.99868 GPRESSAVG: 3873600 21.7285 55.482 -2.79332 57.0057 -6.52405 67.4373 -5.28409 65.6442 -5.58711 TIMING: 3873600 CPU: 11220.7, 0.00287911/step Wall: 11220.7, 0.00287911/step, 0.900842 hours remaining, 211.632812 MB of memory in use. ENERGY: 3873600 764.2047 2161.9173 1934.1931 111.9207 -206394.6025 17839.8675 0.0000 0.0000 34070.1584 -149512.3408 297.5432 -183582.4992 -149419.1128 299.0413 33.7062 63.9766 557984.2866 3.1160 3.2058 PRESSURE: 3873800 -197.517 -57.3678 33.487 -57.3671 73.4428 2.64882 33.4874 2.64829 -165.506 GPRESSURE: 3873800 -170.274 -88.669 75.1584 -47.0692 154.39 27.4642 -10.0438 11.9606 -160.339 PRESSAVG: 3873800 -2.46337 -2.37192 4.04524 -2.37179 -10.4395 21.0754 4.04523 21.0753 78.6036 GPRESSAVG: 3873800 -2.73198 -5.08305 3.15474 0.395894 -10.2005 20.0259 4.44871 22.9301 79.3518 TIMING: 3873800 CPU: 11221.2, 0.00287471/step Wall: 11221.2, 0.00287471/step, 0.899306 hours remaining, 211.632812 MB of memory in use. ENERGY: 3873800 752.8022 2118.6459 1929.4749 125.4501 -206313.7404 17863.9018 0.0000 0.0000 33938.9159 -149584.5497 296.3970 -183523.4656 -149484.6143 298.4566 -96.5268 -58.7410 558860.3391 21.9003 22.1398 PRESSURE: 3874000 -65.5618 79.2344 -26.1118 79.234 117.77 -98.194 -26.1121 -98.1934 -22.3884 GPRESSURE: 3874000 -46.964 79.4856 -78.293 183.854 156.046 -11.8706 -2.16355 -97.0799 21.4404 PRESSAVG: 3874000 -15.2137 -0.0122561 22.4055 -0.0122623 18.8056 12.9714 22.4055 12.9716 -43.6536 GPRESSAVG: 3874000 -13.946 3.59661 20.9383 -3.58033 18.0385 14.8198 22.5181 12.2386 -43.7581 TIMING: 3874000 CPU: 11221.8, 0.0028717/step Wall: 11221.8, 0.0028717/step, 0.898204 hours remaining, 211.632812 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: 3874000 742.7848 2148.8258 1949.6598 100.1926 -206428.9704 17791.4467 0.0000 0.0000 34118.5736 -149577.4871 297.9660 -183696.0607 -149486.6703 298.3130 9.9401 43.5074 556763.1818 -13.3539 -13.2218 PRESSURE: 3874200 -86.9618 -23.929 244.732 -23.9304 194.718 147.245 244.731 147.244 97.2094 GPRESSURE: 3874200 -83.3883 -26.4519 255.95 43.6456 230.566 88.2717 230.732 134.904 155.774 PRESSAVG: 3874200 71.3679 62.4851 107.038 62.4852 -26.4867 55.6826 107.038 55.6827 -95.5308 GPRESSAVG: 3874200 71.4211 59.3639 109.796 65.6381 -25.8589 55.1444 106.172 55.7056 -96.4705 TIMING: 3874200 CPU: 11222.4, 0.00289029/step Wall: 11222.4, 0.00289029/step, 0.903859 hours remaining, 211.632812 MB of memory in use. ENERGY: 3874200 710.5037 2130.2994 1905.5563 107.1194 -206408.4532 17875.0001 0.0000 0.0000 34303.7608 -149376.2135 299.5833 -183679.9742 -149286.1764 298.3800 68.3217 100.9842 557701.1768 -16.8832 -16.9694 PRESSURE: 3874400 -90.0647 35.56 87.4152 35.5608 -77.0458 9.44494 87.4156 9.44581 -77.921 GPRESSURE: 3874400 -55.5295 58.6364 55.7063 -28.6682 -46.6848 -0.0888931 128.791 40.4421 -56.7792 PRESSAVG: 3874400 51.3661 46.3429 28.6194 46.3429 4.69194 8.27241 28.6195 8.27238 -31.6891 GPRESSAVG: 3874400 50.8862 49.0566 28.2443 43.9215 4.525 7.47398 29.7866 9.26664 -31.047 TIMING: 3874400 CPU: 11223, 0.00291314/step Wall: 11223, 0.00291314/step, 0.910842 hours remaining, 211.632812 MB of memory in use. ENERGY: 3874400 737.2599 2138.4119 1921.3641 111.9915 -206067.9741 17713.5610 0.0000 0.0000 34260.6511 -149184.7346 299.2068 -183445.3856 -149087.7348 299.3657 -81.6772 -52.9978 558164.4985 8.1230 8.1214 PRESSURE: 3874600 20.4479 22.43 51.6503 22.4298 -214.087 -160.769 51.6494 -160.769 58.3963 GPRESSURE: 3874600 40.96 43.3848 189.016 1.83335 -108.35 -110.648 -3.70173 -178.492 24.6274 PRESSAVG: 3874600 12.8772 37.426 47.7802 37.4259 -8.73151 5.66785 47.7802 5.66775 -15.8935 GPRESSAVG: 3874600 12.5999 37.0416 48 35.8776 -8.54892 4.12435 47.6645 4.32462 -16.0862 TIMING: 3874600 CPU: 11223.6, 0.00290662/step Wall: 11223.6, 0.00290662/step, 0.908642 hours remaining, 211.632812 MB of memory in use. ENERGY: 3874600 735.9972 2109.4502 1923.0447 113.1937 -206159.5157 17882.5832 0.0000 0.0000 34276.3136 -149118.9331 299.3436 -183395.2467 -149021.8044 300.0284 -45.0809 -14.2542 558578.7483 -3.9159 -4.0117 PRESSURE: 3874800 49.6039 100.408 -125.942 100.409 -106.961 136.612 -125.942 136.611 -112.346 GPRESSURE: 3874800 50.6733 182.312 -150.888 59.6619 -70.3446 182.123 -173.817 123.762 -42.2335 PRESSAVG: 3874800 26.5271 38.2276 -30.8112 38.2277 -29.7605 0.431036 -30.8112 0.430983 -11.0539 GPRESSAVG: 3874800 25.8326 39.0046 -32.1994 39.1801 -29.61 2.50531 -30.138 -0.0661088 -9.90201 TIMING: 3874800 CPU: 11224.1, 0.00289408/step Wall: 11224.1, 0.00289408/step, 0.904561 hours remaining, 211.632812 MB of memory in use. ENERGY: 3874800 735.9505 2072.2729 1921.4370 107.0498 -206044.1103 17732.1716 0.0000 0.0000 34525.6481 -148949.5804 301.5211 -183475.2285 -148847.6025 299.2636 -56.5677 -20.6349 558704.3078 -4.7624 -4.5598 PRESSURE: 3875000 103.042 209.548 117.753 209.548 53.2864 14.5125 117.753 14.5126 39.5643 GPRESSURE: 3875000 124.3 248.588 58.0559 231.462 83.4682 -52.518 105.947 31.1883 82.1715 PRESSAVG: 3875000 22.4095 38.9818 -13.7771 38.9819 56.6014 -18.7796 -13.777 -18.7796 -20.1113 GPRESSAVG: 3875000 23.1386 37.6256 -12.9152 38.9541 56.2889 -21.8106 -13.3602 -18.2805 -20.4149 TIMING: 3875000 CPU: 11224.7, 0.0028999/step Wall: 11224.7, 0.0028999/step, 0.906219 hours remaining, 211.632812 MB of memory in use. ENERGY: 3875000 754.6908 2164.9316 1934.0297 117.1583 -206056.6905 17848.6275 0.0000 0.0000 34348.5002 -148888.7524 299.9740 -183237.2526 -148793.4074 300.4572 65.2975 96.6466 557212.4291 19.6332 19.6709 PRESSURE: 3875200 178.266 124.361 20.7417 124.361 -235.896 116.644 20.7416 116.644 -28.6742 GPRESSURE: 3875200 258.449 131.392 -12.0375 195.186 -200.208 85.8074 46.1501 192.03 -31.8003 PRESSAVG: 3875200 8.53274 79.0488 -6.38952 79.0489 -25.9759 17.483 -6.38952 17.483 8.60566 GPRESSAVG: 3875200 8.36089 79.8869 -6.97937 79.1454 -26.1512 20.1151 -6.94692 16.4998 9.04681 TIMING: 3875200 CPU: 11225.3, 0.00289667/step Wall: 11225.3, 0.00289667/step, 0.905049 hours remaining, 211.632812 MB of memory in use. ENERGY: 3875200 751.8889 2090.7035 1960.2062 109.6044 -206197.4187 17846.0737 0.0000 0.0000 34415.0032 -149023.9389 300.5548 -183438.9421 -148929.2051 300.0181 -28.7680 8.8135 557475.9716 -2.9458 -2.9145 PRESSURE: 3875400 -218.678 31.5261 39.6226 31.5263 62.1115 230.389 39.6215 230.388 -124.619 GPRESSURE: 3875400 -225.651 24.0015 90.8949 107.279 109.773 48.5589 -10.763 254.911 -72.1998 PRESSAVG: 3875400 -31.615 77.8708 -22.1527 77.8708 39.4357 11.2812 -22.1527 11.2811 33.4173 GPRESSAVG: 3875400 -30.7302 74.9124 -20.931 80.0703 38.7086 9.80301 -21.5467 13.1969 32.8968 TIMING: 3875400 CPU: 11225.9, 0.00289346/step Wall: 11225.9, 0.00289346/step, 0.903886 hours remaining, 211.632812 MB of memory in use. ENERGY: 3875400 765.0528 2150.7327 1942.6721 125.5792 -206197.3312 17698.1913 0.0000 0.0000 34540.8703 -148974.2327 301.6540 -183515.1030 -148879.2650 299.6484 -93.7286 -62.6926 558409.4796 13.7460 13.6251 PRESSURE: 3875600 -13.4952 121.771 -64.292 121.773 -98.1749 -44.8084 -64.2925 -44.8081 185.043 GPRESSURE: 3875600 -6.94565 85.0665 -65.4141 156.635 -55.7622 47.7956 -89.5585 -74.1113 243.71 PRESSAVG: 3875600 22.6568 35.5108 -0.583663 35.5107 16.8845 -17.0271 -0.583599 -17.0272 -54.1982 GPRESSAVG: 3875600 22.3276 38.7378 -1.59842 34.2219 18.5721 -16.0575 -0.790524 -18.1802 -55.6878 TIMING: 3875600 CPU: 11226.5, 0.00289152/step Wall: 11226.5, 0.00289152/step, 0.903117 hours remaining, 211.632812 MB of memory in use. ENERGY: 3875600 763.0130 2139.7718 1906.2853 108.0878 -206075.1113 17864.5213 0.0000 0.0000 34253.4391 -149039.9930 299.1438 -183293.4321 -148944.2735 300.3942 24.4577 60.3340 558267.8766 -4.8856 -4.9294 PRESSURE: 3875800 -183.478 48.1069 -22.3342 48.1055 -99.8609 -201.823 -22.3333 -201.823 -62.2865 GPRESSURE: 3875800 -126.244 33.1251 -81.277 -16.1842 -83.7903 -199.614 61.6519 -249.209 -49.1689 PRESSAVG: 3875800 20.0628 54.6009 20.4187 54.6009 -39.3388 10.3708 20.4186 10.3708 58.0299 GPRESSAVG: 3875800 20.0287 53.3363 21.4111 55.5732 -40.0844 10.8108 21.1559 10.015 59.0593 TIMING: 3875800 CPU: 11227, 0.00288578/step Wall: 11227, 0.00288578/step, 0.901165 hours remaining, 211.632812 MB of memory in use. ENERGY: 3875800 778.4098 2156.4188 1933.3230 105.5155 -205673.9041 17415.5882 0.0000 0.0000 34447.4043 -148837.2445 300.8377 -183284.6488 -148738.0950 300.0322 -115.2084 -86.4009 557677.9302 12.9179 13.0012 PRESSURE: 3876000 -173.98 -60.9784 -57.5688 -60.9792 -90.8627 -190.872 -57.5695 -190.873 -105.787 GPRESSURE: 3876000 -111.823 -106.075 -80.5069 -63.1464 -20.9533 -136.746 -78.9104 -171.971 -134.847 PRESSAVG: 3876000 -4.70462 5.76577 18.3964 5.76575 -2.68289 -2.11851 18.3964 -2.11854 -1.82869 GPRESSAVG: 3876000 -5.18807 6.73309 18.7074 5.12646 -2.98899 -0.123347 16.9852 -3.74736 -1.01943 TIMING: 3876000 CPU: 11227.6, 0.00288013/step Wall: 11227.6, 0.00288013/step, 0.899242 hours remaining, 211.632812 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: 3876000 784.8539 2136.0179 1957.6464 108.1937 -205659.1162 17546.6978 0.0000 0.0000 34186.2516 -148939.4550 298.5570 -183125.7066 -148833.7512 300.1751 -123.5430 -89.2077 558814.9613 -3.0721 -3.0655 PRESSURE: 3876200 -401.96 -128.912 -5.1959 -128.912 -451.668 -148.968 -5.19501 -148.969 -209.491 GPRESSURE: 3876200 -419.733 -122.169 -22.5942 -91.2198 -393.183 -163.871 1.0427 -104.468 -166.748 PRESSAVG: 3876200 -36.7437 14.7537 -8.15072 14.7537 -24.2727 -44.4504 -8.15067 -44.4502 74.6477 GPRESSAVG: 3876200 -36.4826 13.1199 -9.76563 14.3163 -23.7192 -47.8486 -7.1104 -42.9196 73.7879 TIMING: 3876200 CPU: 11228.2, 0.0028893/step Wall: 11228.2, 0.0028893/step, 0.901942 hours remaining, 211.632812 MB of memory in use. ENERGY: 3876200 774.7806 2122.4127 1952.4036 114.6433 -205803.3142 17368.2090 0.0000 0.0000 34524.6253 -148946.2396 301.5121 -183470.8649 -148846.4118 300.1296 -354.3728 -326.5544 559708.2850 4.5438 4.5287 LDB: ============= START OF LOAD BALANCING ============== 11231.6 LDB: ============== END OF LOAD BALANCING =============== 11231.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11231.6 LDB: ============= START OF LOAD BALANCING ============== 11231.9 LDB: Largest compute 4773 load 0.024145 is 20.5% of average load 0.118011 LDB: Average compute 0.001726 is 1.5% of average load 0.118011 LDB: TIME 11231.9 LOAD: AVG 0.118011 MAX 0.18228 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.152 MB LDB: TIME 11231.9 LOAD: AVG 0.118011 MAX 0.18228 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.223 MB LDB: TIME 11231.9 LOAD: AVG 0.118011 MAX 0.18228 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.223 MB LDB: ============== END OF LOAD BALANCING =============== 11231.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11231.9 PRESSURE: 3876400 10.4072 194.176 15.6134 194.175 19.2209 69.1847 15.6139 69.185 46.1921 GPRESSURE: 3876400 29.8862 164.091 -6.5445 149.078 25.4361 95.5154 74.415 18.0553 122.876 PRESSAVG: 3876400 -28.5999 30.8695 16.541 30.8694 11.4208 35.8533 16.5408 35.8533 -24.0852 GPRESSAVG: 3876400 -28.8832 31.5373 15.9843 31.0608 12.0646 37.1879 17.2921 35.4383 -24.2744 TIMING: 3876400 CPU: 11228.8, 0.00294994/step Wall: 11228.8, 0.00294994/step, 0.920709 hours remaining, 210.660156 MB of memory in use. ENERGY: 3876400 736.6215 2165.9376 1924.9962 115.6018 -206135.9038 17797.7343 0.0000 0.0000 34537.9630 -148857.0494 301.6286 -183395.0124 -148758.0908 300.1591 25.2734 59.3996 558650.2688 -13.7547 -13.6977 PRESSURE: 3876600 42.7944 72.1831 -92.57 72.1811 -94.9313 -141.771 -92.5708 -141.771 -125.966 GPRESSURE: 3876600 39.923 84.4462 -61.617 -8.80556 -8.89183 -41.4669 -85.0244 -147.934 -112.914 PRESSAVG: 3876600 -53.4426 51.3161 -15.0356 51.3161 -26.6838 -2.42306 -15.0357 -2.4231 90.9801 GPRESSAVG: 3876600 -53.02 49.6273 -12.8014 51.7961 -27.857 -1.7832 -15.1417 -4.92132 91.9673 TIMING: 3876600 CPU: 11229.3, 0.00288492/step Wall: 11229.3, 0.00288492/step, 0.900256 hours remaining, 211.121094 MB of memory in use. ENERGY: 3876600 732.2625 2183.6338 1955.3660 111.0678 -205896.1878 17547.9971 0.0000 0.0000 34386.3984 -148979.4621 300.3050 -183365.8605 -148878.9084 300.4405 -59.3678 -27.2943 558840.5324 3.6179 3.6968 PRESSURE: 3876800 -384.755 60.9572 -29.9231 60.9575 -259.814 53.8423 -29.9221 53.8412 -303.026 GPRESSURE: 3876800 -400.432 16.0963 -39.218 98.1582 -241.897 -13.3285 -19.0627 77.669 -206.481 PRESSAVG: 3876800 -45.6508 32.6957 -24.659 32.6956 65.3223 -6.67778 -24.659 -6.67781 19.5697 GPRESSAVG: 3876800 -45.6596 33.7447 -25.4441 32.6937 66.3536 -9.12596 -26.1217 -3.51279 19.3471 TIMING: 3876800 CPU: 11229.9, 0.00288349/step Wall: 11229.9, 0.00288349/step, 0.899648 hours remaining, 211.121094 MB of memory in use. ENERGY: 3876800 772.4573 2105.8809 1957.8975 115.9319 -205521.0360 17359.8893 0.0000 0.0000 34246.3780 -148962.6012 299.0821 -183208.9792 -148863.4241 300.3003 -315.8648 -282.9371 559502.7165 13.0804 13.3470 PRESSURE: 3877000 -59.828 -38.2951 130.296 -38.2959 31.1959 120.699 130.295 120.7 84.0612 GPRESSURE: 3877000 5.28914 -86.8557 146.289 -77.6449 86.2249 46.1676 203.977 90.1539 79.8545 PRESSAVG: 3877000 -47.8692 -26.5356 6.62632 -26.5356 23.9327 7.89137 6.62633 7.89139 -2.1843 GPRESSAVG: 3877000 -47.9222 -24.6785 5.60106 -29.2889 24.47 8.68826 7.76135 6.26422 -2.34418 TIMING: 3877000 CPU: 11230.5, 0.00289138/step Wall: 11230.5, 0.00289138/step, 0.901949 hours remaining, 211.121094 MB of memory in use. ENERGY: 3877000 736.1288 2084.9429 1962.6741 103.5631 -206017.2658 17959.4124 0.0000 0.0000 34212.2217 -148958.3230 298.7838 -183170.5446 -148856.2060 299.8599 18.4764 57.1228 559193.3720 -8.7069 -8.5988 PRESSURE: 3877200 98.4002 13.7662 -12.5304 13.7663 -230.201 90.7229 -12.5302 90.7227 -51.0512 GPRESSURE: 3877200 125.943 -57.2983 6.87671 86.8885 -165.967 18.3562 -59.3882 50.8785 -30.797 PRESSAVG: 3877200 -44.9305 20.1081 29.2296 20.1081 3.20109 24.8399 29.2295 24.8399 35.8859 GPRESSAVG: 3877200 -44.0027 18.0208 28.3777 21.7423 2.98627 27.0869 29.0733 25.5615 35.2364 TIMING: 3877200 CPU: 11231.1, 0.00286734/step Wall: 11231.1, 0.00286734/step, 0.894291 hours remaining, 211.121094 MB of memory in use. ENERGY: 3877200 783.5699 2087.1313 1938.9031 113.8497 -206103.1662 17753.9416 0.0000 0.0000 34416.3930 -149009.3776 300.5669 -183425.7707 -148917.5609 299.1489 -60.9507 -23.6072 556934.3939 -1.9478 -1.9267 PRESSURE: 3877400 -87.8485 -64.8482 11.8285 -64.8479 12.2136 -63.1103 11.8293 -63.1125 45.8771 GPRESSURE: 3877400 -78.0899 68.7394 74.6045 -89.5752 48.6412 -139.671 1.55381 -28.9868 96.1125 PRESSAVG: 3877400 -2.95841 48.3142 -15.9343 48.3143 20.6838 -5.58671 -15.9344 -5.58653 -24.8272 GPRESSAVG: 3877400 -3.43806 51.0392 -13.7028 47.2962 21.0894 -7.45105 -15.6124 -6.29058 -24.3376 TIMING: 3877400 CPU: 11231.6, 0.00286108/step Wall: 11231.6, 0.00286108/step, 0.892179 hours remaining, 211.121094 MB of memory in use. ENERGY: 3877400 780.5037 2130.1440 1925.4821 127.2998 -205692.3637 17677.5072 0.0000 0.0000 33982.9857 -149068.4412 296.7819 -183051.4269 -148974.4225 299.4065 -9.9193 22.2213 556923.5419 -2.3673 -2.2288 PRESSURE: 3877600 -139.142 48.8256 -96.606 48.8256 -13.5563 -18.2949 -96.6051 -18.2957 -3.88796 GPRESSURE: 3877600 -82.9377 -75.9398 -176.614 80.5696 69.4915 -17.2979 -40.2635 -25.2027 -39.5924 PRESSAVG: 3877600 9.61649 6.13933 12.0446 6.13938 -2.80899 14.0711 12.0446 14.0711 20.9558 GPRESSAVG: 3877600 10.0488 2.34041 12.4032 7.86531 -2.78873 15.1035 11.7707 14.4603 19.9144 TIMING: 3877600 CPU: 11232.2, 0.00289193/step Wall: 11232.2, 0.00289193/step, 0.901639 hours remaining, 211.121094 MB of memory in use. ENERGY: 3877600 712.8978 2070.7892 1923.8897 97.7999 -206160.6029 17590.5496 0.0000 0.0000 34635.6527 -149129.0240 302.4818 -183764.6767 -149027.6741 300.0414 -52.1953 -17.6795 556605.4405 9.2544 9.0581 PRESSURE: 3877800 -29.9448 -68.169 39.5298 -68.169 -9.66914 51.3192 39.5292 51.3187 16.8446 GPRESSURE: 3877800 82.8588 -4.80435 79.6308 -62.481 -33.1994 20.4106 62.6904 93.8608 10.439 PRESSAVG: 3877800 25.7544 36.8273 -44.3429 36.8273 -26.8744 0.537565 -44.3429 0.537581 -45.197 GPRESSAVG: 3877800 25.1565 36.7453 -43.2518 36.509 -27.3157 -1.06513 -45.3404 -0.96907 -45.3408 TIMING: 3877800 CPU: 11232.8, 0.00287914/step Wall: 11232.8, 0.00287914/step, 0.897492 hours remaining, 211.121094 MB of memory in use. ENERGY: 3877800 723.9120 2105.7141 1948.8838 108.1587 -206523.1238 17742.4979 0.0000 0.0000 34509.6558 -149384.3015 301.3814 -183893.9573 -149290.0159 299.3589 -7.5898 20.0328 556461.8472 -15.4390 -15.8334 PRESSURE: 3878000 -20.1752 218.332 10.6718 218.333 -167.807 26.2325 10.672 26.2298 135.202 GPRESSURE: 3878000 8.34917 223.371 -11.8477 170.599 -50.066 -28.2596 15.7815 96.3818 95.9986 PRESSAVG: 3878000 45.8679 22.9029 2.03148 22.903 20.0141 29.5592 2.03142 29.5593 -10.0587 GPRESSAVG: 3878000 46.7838 23.4405 -0.393965 22.1126 19.0707 31.3551 1.59898 30.9424 -10.1325 TIMING: 3878000 CPU: 11233.4, 0.00286598/step Wall: 11233.4, 0.00286598/step, 0.893232 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3878000 748.4015 2108.8006 1929.0170 110.1717 -206417.9714 17801.8650 0.0000 0.0000 34299.7704 -149419.9451 299.5484 -183719.7155 -149329.0940 299.1887 -17.5936 18.0939 556813.9836 18.6078 18.5740 PRESSURE: 3878200 177.512 -135.716 6.55691 -135.716 252.786 -7.46701 6.55771 -7.46508 225.005 GPRESSURE: 3878200 197.582 -152.527 -43.7325 -169.819 243.093 -20.288 59.4896 -35.7543 305.956 PRESSAVG: 3878200 12.484 -19.627 -51.1285 -19.627 -16.1991 -49.6082 -51.1285 -49.6082 -30.1802 GPRESSAVG: 3878200 11.2784 -17.8518 -52.0544 -18.4329 -16.6492 -51.2004 -48.1341 -50.2251 -29.0345 TIMING: 3878200 CPU: 11234, 0.00287993/step Wall: 11234, 0.00287993/step, 0.897417 hours remaining, 211.121094 MB of memory in use. ENERGY: 3878200 714.4755 2112.5055 1954.8148 110.2708 -206681.1032 18143.3823 0.0000 0.0000 34238.5604 -149407.0939 299.0139 -183645.6543 -149322.6197 298.4840 218.4343 248.8773 556884.6405 -11.2985 -11.4684 PRESSURE: 3878400 104.781 -125.88 149.583 -125.881 -79.8435 -270.029 149.584 -270.029 -111.385 GPRESSURE: 3878400 121.496 -74.2272 179.431 -175.122 -29.0069 -290.218 154.663 -224.56 -87.7445 PRESSAVG: 3878400 29.2331 13.6831 5.56006 13.6832 -11.6055 -29.9103 5.56005 -29.9103 6.87923 GPRESSAVG: 3878400 29.4202 12.5356 6.30812 13.1543 -10.2979 -31.3753 4.43943 -26.6713 6.01077 TIMING: 3878400 CPU: 11234.5, 0.00288878/step Wall: 11234.5, 0.00288878/step, 0.900015 hours remaining, 211.187500 MB of memory in use. ENERGY: 3878400 697.2042 2083.1579 1953.6506 119.9146 -206537.6726 17836.2051 0.0000 0.0000 34164.7940 -149682.7462 298.3696 -183847.5402 -149587.9950 298.1014 -28.8159 1.5815 557135.0573 8.1689 8.3777 PRESSURE: 3878600 -120.552 -97.4022 2.72769 -97.4024 35.8163 -124.331 2.72745 -124.33 -42.2819 GPRESSURE: 3878600 -150.412 -212.373 0.209276 -45.0961 68.4325 -44.9817 -30.1463 -142.813 47.676 PRESSAVG: 3878600 -16.4831 -28.0655 -42.7341 -28.0655 34.2381 -110.895 -42.7342 -110.895 -22.0965 GPRESSAVG: 3878600 -16.5621 -27.2063 -41.8196 -28.1938 34.5384 -110.342 -44.1432 -111.697 -22.4077 TIMING: 3878600 CPU: 11235.1, 0.00289313/step Wall: 11235.1, 0.00289313/step, 0.901211 hours remaining, 211.187500 MB of memory in use. ENERGY: 3878600 779.6547 2079.7320 1932.1369 111.7534 -206579.5666 17905.9360 0.0000 0.0000 34096.9622 -149673.3914 297.7773 -183770.3536 -149582.2720 297.6824 -42.3392 -11.4346 557652.7311 -1.4472 -1.4771 PRESSURE: 3878800 -8.17366 -144.772 -111.545 -144.773 -148.831 -133.199 -111.544 -133.198 133.256 GPRESSURE: 3878800 21.1118 -124.721 -131.714 -225.194 -97.3043 -88.5523 -170.24 -193.683 144.043 PRESSAVG: 3878800 21.2254 -25.4435 29.3015 -25.4435 -36.9493 -39.4781 29.3015 -39.478 28.2236 GPRESSAVG: 3878800 21.4015 -27.2154 29.5675 -25.9133 -38.7479 -38.9053 29.1403 -38.8902 30.1783 TIMING: 3878800 CPU: 11235.7, 0.00287682/step Wall: 11235.7, 0.00287682/step, 0.895971 hours remaining, 211.187500 MB of memory in use. ENERGY: 3878800 785.1025 2104.4644 1927.4152 106.0368 -206440.3324 18071.2068 0.0000 0.0000 33822.7070 -149623.3996 295.3821 -183446.1067 -149527.4711 297.7539 -7.9159 22.6170 556728.8798 4.1666 4.2773 PRESSURE: 3879000 -140.045 70.0568 43.6288 70.0574 70.0871 62.7759 43.629 62.7753 -299.453 GPRESSURE: 3879000 -189.04 152.206 -26.685 47.3662 134.376 31.9009 47.8558 29.5467 -235.454 PRESSAVG: 3879000 38.737 39.6621 -4.43158 39.6621 5.52204 -13.131 -4.4315 -13.1309 -32.5855 GPRESSAVG: 3879000 38.3102 39.7951 -6.04127 41.6362 6.20928 -14.7558 -2.2962 -13.7082 -32.9421 TIMING: 3879000 CPU: 11236.3, 0.00287437/step Wall: 11236.3, 0.00287437/step, 0.895047 hours remaining, 211.187500 MB of memory in use. ENERGY: 3879000 742.6634 2069.6415 1911.2938 114.2677 -206413.3318 17695.3052 0.0000 0.0000 34239.6720 -149640.4883 299.0236 -183880.1602 -149541.9559 298.0806 -123.1370 -96.7058 558046.8834 3.8912 3.8591 PRESSURE: 3879200 -86.0151 70.7697 67.0623 70.769 -8.36318 94.1093 67.0625 94.1092 216.213 GPRESSURE: 3879200 -40.0386 -9.54425 155.67 58.2719 52.9702 117.44 -1.50865 90.439 217.272 PRESSAVG: 3879200 27.502 61.4991 -11.2287 61.4991 -4.05095 -10.8166 -11.2287 -10.8166 -10.6356 GPRESSAVG: 3879200 27.6624 63.9723 -9.33001 59.9737 -3.91807 -9.30994 -11.7614 -11.364 -10.6303 TIMING: 3879200 CPU: 11236.8, 0.00287983/step Wall: 11236.8, 0.00287983/step, 0.896588 hours remaining, 211.187500 MB of memory in use. ENERGY: 3879200 731.6301 2073.8495 1960.2516 109.8622 -206980.7643 18065.1313 0.0000 0.0000 34481.5319 -149558.5078 301.1358 -184040.0397 -149468.3369 298.3081 40.6116 76.7344 557332.5281 4.2718 4.3713 PRESSURE: 3879400 -62.5255 66.5937 -60.5243 66.5938 -181.996 -58.6094 -60.5248 -58.6091 25.5117 GPRESSURE: 3879400 -9.75227 57.694 -63.3429 131.358 -149.397 -8.99787 -97.5238 -7.49123 35.2485 PRESSAVG: 3879400 -43.9347 2.6829 -4.20134 2.68287 28.7083 7.75503 -4.20124 7.75497 -28.3392 GPRESSAVG: 3879400 -43.6646 1.76042 -4.78526 3.07036 28.128 10.2501 -4.26166 6.78776 -27.8897 TIMING: 3879400 CPU: 11237.4, 0.00287177/step Wall: 11237.4, 0.00287177/step, 0.893918 hours remaining, 211.187500 MB of memory in use. ENERGY: 3879400 714.0268 2108.7169 1930.6322 101.9048 -206479.5048 17828.2929 0.0000 0.0000 34155.7882 -149640.1429 298.2910 -183795.9311 -149540.1542 297.5844 -73.0032 -41.3002 559055.9549 -14.5219 -14.4754 PRESSURE: 3879600 -63.7796 120.994 -49.4023 120.993 -17.8937 47.8972 -49.402 47.8972 205.226 GPRESSURE: 3879600 -10.1479 129.701 -80.0529 96.7514 -0.496532 2.30734 -66.8385 74.7155 218.886 PRESSAVG: 3879600 37.2033 -27.7422 -18.8778 -27.7422 -61.7335 58.6641 -18.8779 58.6642 59.0172 GPRESSAVG: 3879600 39.181 -29.2853 -18.536 -26.6218 -62.1739 56.1489 -20.1624 59.7707 58.0325 TIMING: 3879600 CPU: 11238, 0.00285843/step Wall: 11238, 0.00285843/step, 0.889606 hours remaining, 211.187500 MB of memory in use. ENERGY: 3879600 715.8460 2067.7635 1931.8977 116.7078 -206601.1527 17939.2500 0.0000 0.0000 33969.7808 -149859.9069 296.6665 -183829.6877 -149760.0071 297.2711 41.1841 69.4137 559020.1280 11.4957 11.6799 PRESSURE: 3879800 -88.4618 28.0518 88.4027 28.0518 -236.429 -269.307 88.4019 -269.307 -172.288 GPRESSURE: 3879800 -74.5794 -59.6514 109.716 93.7985 -181.873 -258.751 68.1963 -260.471 -132.674 PRESSAVG: 3879800 -20.5399 25.4247 -9.52391 25.4246 8.8404 -36.2589 -9.52385 -36.2589 39.0351 GPRESSAVG: 3879800 -21.0053 26.3485 -9.90281 24.546 9.0386 -36.3805 -8.11479 -36.1247 39.1627 TIMING: 3879800 CPU: 11238.6, 0.00285923/step Wall: 11238.6, 0.00285923/step, 0.889696 hours remaining, 211.187500 MB of memory in use. ENERGY: 3879800 735.0323 2076.4786 1983.6941 126.6775 -206599.2925 17686.1638 0.0000 0.0000 34170.0726 -149821.1737 298.4157 -183991.2463 -149721.5642 297.2594 -165.7265 -129.7091 557551.1969 9.1119 9.0654 PRESSURE: 3880000 -92.7603 207.588 48.9588 207.587 -72.1631 22.8539 48.9592 22.8531 21.3344 GPRESSURE: 3880000 -56.5246 234.224 22.3784 259.442 -63.9988 -17.1923 -27.1818 -42.1214 72.9951 PRESSAVG: 3880000 12.4093 -5.10518 -18.4568 -5.10521 -55.8288 -46.6189 -18.4568 -46.619 40.962 GPRESSAVG: 3880000 10.0444 -3.25768 -19.4586 -5.62517 -54.3227 -45.0618 -19.476 -48.4238 42.2666 TIMING: 3880000 CPU: 11239.1, 0.00286891/step Wall: 11239.1, 0.00286891/step, 0.89255 hours remaining, 211.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3880000 743.6273 2064.1156 1928.4277 114.7675 -206756.7683 17920.1810 0.0000 0.0000 34262.2099 -149723.4393 299.2204 -183985.6492 -149618.9730 298.6492 -47.8630 -15.8428 557851.4787 -0.8192 -0.6706 PRESSURE: 3880200 65.4015 42.934 -51.4976 42.9339 6.5497 -36.1839 -51.498 -36.1847 -31.863 GPRESSURE: 3880200 150.903 48.198 -35.3478 -0.162451 61.07 14.2265 49.3344 -135.672 -62.1241 PRESSAVG: 3880200 29.3965 27.3944 1.01936 27.3945 44.2618 -25.4825 1.01941 -25.4825 -73.2377 GPRESSAVG: 3880200 31.0063 25.4976 2.60755 30.1326 43.2238 -26.1098 2.07259 -23.7155 -74.0761 TIMING: 3880200 CPU: 11239.7, 0.00289466/step Wall: 11239.7, 0.00289466/step, 0.900401 hours remaining, 211.187500 MB of memory in use. ENERGY: 3880200 710.0987 2089.2356 1942.5810 107.7550 -206654.6482 18005.0788 0.0000 0.0000 34252.7171 -149547.1820 299.1375 -183799.8992 -149445.1577 298.2234 13.3627 49.9495 558970.1606 0.1402 0.0513 LDB: ============= START OF LOAD BALANCING ============== 11243.1 LDB: ============== END OF LOAD BALANCING =============== 11243.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11243.1 LDB: ============= START OF LOAD BALANCING ============== 11243.4 LDB: Largest compute 4773 load 0.024011 is 20.4% of average load 0.117964 LDB: Average compute 0.001719 is 1.5% of average load 0.117964 LDB: TIME 11243.4 LOAD: AVG 0.117964 MAX 0.180745 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.684 MB LDB: TIME 11243.4 LOAD: AVG 0.117964 MAX 0.180745 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.691 MB LDB: TIME 11243.4 LOAD: AVG 0.117964 MAX 0.180745 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.691 MB LDB: ============== END OF LOAD BALANCING =============== 11243.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11243.4 PRESSURE: 3880400 -331.201 -74.6678 -165.527 -74.6677 -405.708 -27.9833 -165.527 -27.9828 -82.7902 GPRESSURE: 3880400 -322.592 -77.2879 -188.304 -117.92 -356.989 -46.9627 -45.3697 5.21187 -54.7889 PRESSAVG: 3880400 42.8061 5.89335 -9.2961 5.89348 -66.3249 23.6945 -9.29618 23.6946 26.9083 GPRESSAVG: 3880400 41.199 5.73019 -12.8349 4.35729 -65.8193 24.1442 -9.4809 24.4233 28.5867 TIMING: 3880400 CPU: 11240.3, 0.002941/step Wall: 11240.3, 0.002941/step, 0.91465 hours remaining, 211.687500 MB of memory in use. ENERGY: 3880400 719.7558 2057.0379 1967.0788 120.1307 -205953.0787 17512.5249 0.0000 0.0000 34121.9434 -149454.6071 297.9954 -183576.5506 -149357.2146 298.6882 -273.2330 -244.7901 560562.9657 1.1298 1.3221 PRESSURE: 3880600 -48.4195 -142.609 -264.521 -142.61 177.857 -142.937 -264.521 -142.938 -226.006 GPRESSURE: 3880600 40.2713 -184.149 -337.995 -83.2366 205.334 -113.984 -128.759 -122.562 -252.381 PRESSAVG: 3880600 -18.5927 -45.9177 -28.0645 -45.9177 56.8756 -2.21985 -28.0645 -2.21994 -52.5118 GPRESSAVG: 3880600 -17.032 -46.9655 -26.0035 -44.853 56.9178 -2.4692 -26.6895 -3.19927 -53.7483 TIMING: 3880600 CPU: 11240.9, 0.0028751/step Wall: 11240.9, 0.0028751/step, 0.893996 hours remaining, 211.757812 MB of memory in use. ENERGY: 3880600 731.9543 2119.3689 1935.0767 111.6271 -206608.0214 17991.0171 0.0000 0.0000 34167.5037 -149551.4736 298.3933 -183718.9772 -149454.2216 298.5377 -32.1894 -2.2585 559238.7583 -4.7430 -4.6208 PRESSURE: 3880800 -221.266 36.2046 -43.5895 36.2038 137.447 0.801112 -43.5898 0.800591 -145.508 GPRESSURE: 3880800 -213.778 24.0393 -125.259 103.461 179.841 67.4587 60.0877 -39.9933 -99.9638 PRESSAVG: 3880800 11.9571 -20.5614 -82.7862 -20.5615 -28.9026 -34.743 -82.7863 -34.743 -50.5005 GPRESSAVG: 3880800 12.0231 -18.3456 -82.6493 -22.1811 -29.1365 -34.4738 -85.0643 -35.155 -50.0644 TIMING: 3880800 CPU: 11241.4, 0.00286965/step Wall: 11241.4, 0.00286965/step, 0.892141 hours remaining, 211.757812 MB of memory in use. ENERGY: 3880800 733.2814 2090.3864 1950.5821 118.7932 -206307.9445 17823.7484 0.0000 0.0000 34090.4201 -149500.7329 297.7201 -183591.1530 -149408.8299 297.7990 -76.4423 -44.6337 558015.5511 -22.4820 -22.3926 PRESSURE: 3881000 -326.01 -11.2064 21.9885 -11.2073 145.313 -63.4912 21.9899 -63.491 -35.4339 GPRESSURE: 3881000 -277.524 14.1604 69.313 -24.175 199.437 -78.6696 -55.0362 -26.0173 -39.0058 PRESSAVG: 3881000 5.64484 5.29323 18.1689 5.29326 -33.3087 -46.4874 18.1689 -46.4874 19.337 GPRESSAVG: 3881000 7.38629 5.18462 18.7976 4.79266 -33.5255 -47.1031 18.0667 -45.5363 18.1287 TIMING: 3881000 CPU: 11242, 0.00288562/step Wall: 11242, 0.00288562/step, 0.896946 hours remaining, 211.757812 MB of memory in use. ENERGY: 3881000 764.8980 2106.7473 1929.0363 115.2189 -206377.6933 17835.6410 0.0000 0.0000 34296.2426 -149329.9091 299.5176 -183626.1517 -149232.9367 298.6009 -72.0435 -39.0308 557944.7593 -2.7756 -2.6702 PRESSURE: 3881200 -94.2433 80.8538 -69.876 80.854 -480.317 -64.98 -69.8762 -64.9789 -148.825 GPRESSURE: 3881200 -45.3171 37.2776 -36.121 116.991 -430.836 16.2617 -24.5835 -110.673 -138.186 PRESSAVG: 3881200 35.5112 40.7979 -22.9455 40.7978 -23.6593 -32.0454 -22.9455 -32.0455 -1.57984 GPRESSAVG: 3881200 32.7233 40.3236 -23.5793 39.8847 -24.1053 -32.6086 -22.1542 -32.0747 1.55073 TIMING: 3881200 CPU: 11242.6, 0.00288614/step Wall: 11242.6, 0.00288614/step, 0.896948 hours remaining, 211.757812 MB of memory in use. ENERGY: 3881200 735.9786 2125.7467 1976.6019 122.2787 -205965.0444 17388.7062 0.0000 0.0000 34278.0637 -149337.6685 299.3589 -183615.7323 -149243.8097 298.6689 -241.1284 -204.7796 557209.0086 3.4240 3.3896 PRESSURE: 3881400 -90.8537 2.14757 -57.7612 2.1483 -122.867 -142.563 -57.7611 -142.562 178.707 GPRESSURE: 3881400 -47.4759 -43.8205 85.9062 -108.858 -76.3494 -164.33 -74.7014 -55.5238 193.941 PRESSAVG: 3881400 13.6091 27.6186 -11.7274 27.6186 -44.6669 -10.8198 -11.7274 -10.8199 53.0296 GPRESSAVG: 3881400 13.8591 26.1725 -9.66916 29.6533 -43.3086 -10.4194 -13.793 -11.1353 51.7434 TIMING: 3881400 CPU: 11243.2, 0.00288327/step Wall: 11243.2, 0.00288327/step, 0.895895 hours remaining, 211.757812 MB of memory in use. ENERGY: 3881400 755.9550 2100.1444 1968.1434 108.8081 -206304.2267 17771.0448 0.0000 0.0000 34255.9288 -149344.2022 299.1655 -183600.1310 -149245.7192 299.0539 -11.6715 23.3718 555836.4354 7.3239 7.4313 PRESSURE: 3881600 79.0762 4.79747 58.3826 4.79854 -100.202 -86.599 58.3817 -86.5985 -69.233 GPRESSURE: 3881600 70.2931 30.7696 -60.2499 66.5568 -34.0314 -51.6609 161.7 -113.777 -34.3908 PRESSAVG: 3881600 42.9383 -25.3168 -22.8864 -25.3168 3.29319 -54.0247 -22.8864 -54.0247 -32.0186 GPRESSAVG: 3881600 43.2626 -24.026 -24.533 -25.6944 3.31439 -54.3907 -19.5055 -54.8679 -32.3332 TIMING: 3881600 CPU: 11243.7, 0.00286698/step Wall: 11243.7, 0.00286698/step, 0.890676 hours remaining, 211.757812 MB of memory in use. ENERGY: 3881600 724.8841 2095.0160 1980.9159 110.6616 -205874.4292 17642.0682 0.0000 0.0000 34147.0751 -149173.8082 298.2149 -183320.8833 -149076.9473 298.4655 -30.1197 0.6236 557526.6014 4.7376 4.7479 PRESSURE: 3881800 -219.18 -74.637 -50.3744 -74.6367 -54.857 113.69 -50.3748 113.688 -103.802 GPRESSURE: 3881800 -245.32 -150.985 -32.0845 -6.70608 -11.5519 79.0422 3.40812 64.0663 -33.7192 PRESSAVG: 3881800 -9.56309 9.00485 0.519426 9.00478 -19.965 -76.6781 0.519419 -76.6781 15.5658 GPRESSAVG: 3881800 -8.1368 8.37571 0.582415 8.63339 -21.0539 -78.0945 -0.463755 -75.3374 15.452 TIMING: 3881800 CPU: 11244.3, 0.00286436/step Wall: 11244.3, 0.00286436/step, 0.889702 hours remaining, 211.960938 MB of memory in use. ENERGY: 3881800 730.5343 2127.8713 1988.3511 121.3447 -206233.9990 17736.7058 0.0000 0.0000 34217.1982 -149311.9936 298.8273 -183529.1919 -149225.8759 298.6350 -125.9464 -96.8638 558425.8902 -4.6541 -4.5796 PRESSURE: 3882000 -56.8721 -111.246 -137.422 -111.246 -28.3925 -2.13062 -137.423 -2.13276 53.9447 GPRESSURE: 3882000 -25.4896 -124.009 -200.599 -84.131 0.0123882 26.1006 -80.2621 -57.3907 77.5471 PRESSAVG: 3882000 5.54844 -13.1898 27.0226 -13.1897 30.841 62.5854 27.0226 62.5856 -20.4373 GPRESSAVG: 3882000 4.69946 -11.9424 25.7872 -12.5446 32.0771 66.6978 27.8696 60.5422 -20.5226 TIMING: 3882000 CPU: 11244.9, 0.00286689/step Wall: 11244.9, 0.00286689/step, 0.890329 hours remaining, 211.960938 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: 3882000 723.6156 2042.8861 1931.6688 108.4927 -205679.0773 17537.3556 0.0000 0.0000 34042.5653 -149292.4932 297.3022 -183335.0585 -149194.5095 299.0261 -10.4400 17.3567 556376.7917 5.3174 5.4180 PRESSURE: 3882200 315.938 230.802 -58.6474 230.803 135.511 -35.3233 -58.6476 -35.3242 208.419 GPRESSURE: 3882200 316.735 213.977 -26.6582 158.814 198.175 -20.4486 -67.2966 -79.1023 247.614 PRESSAVG: 3882200 61.4843 32.0177 -27.2338 32.0178 -39.4652 13.8757 -27.2338 13.8756 -28.4983 GPRESSAVG: 3882200 61.3413 31.1528 -25.752 32.0291 -39.1336 11.3513 -28.44 14.7099 -29.7268 TIMING: 3882200 CPU: 11245.5, 0.00286851/step Wall: 11245.5, 0.00286851/step, 0.890671 hours remaining, 211.960938 MB of memory in use. ENERGY: 3882200 751.2481 2102.2991 1952.6250 115.5338 -206480.7076 18111.3468 0.0000 0.0000 34126.1842 -149321.4706 298.0325 -183447.6549 -149225.1057 299.0458 219.9557 254.1747 556852.4481 -2.1598 -2.5064 PRESSURE: 3882400 34.7845 42.3028 -54.4399 42.3018 -13.2504 -148.417 -54.4407 -148.417 -134.271 GPRESSURE: 3882400 91.8551 -13.129 -62.5666 76.1836 33.5817 -123.735 -57.0741 -170.08 -134.018 PRESSAVG: 3882400 27.1963 7.48939 32.7685 7.48934 -5.98958 -3.92304 32.7685 -3.92313 -4.57616 GPRESSAVG: 3882400 25.9169 9.18302 32.5558 6.5755 -5.91934 -4.47837 33.0473 -4.71576 -3.59892 TIMING: 3882400 CPU: 11246, 0.00287137/step Wall: 11246, 0.00287137/step, 0.891399 hours remaining, 211.960938 MB of memory in use. ENERGY: 3882400 732.9589 2038.1114 1968.5167 121.7695 -205863.1275 17531.7482 0.0000 0.0000 34176.4849 -149293.5380 298.4717 -183470.0229 -149197.8721 298.9221 -37.5791 -2.8605 555256.0697 5.5435 5.4662 PRESSURE: 3882600 -224.307 -146.092 45.2818 -146.092 -153.233 -49.5861 45.2803 -49.5853 87.0668 GPRESSURE: 3882600 -232.328 -89.4821 -22.9751 -223.956 -67.0594 -26.6213 159.809 -62.2096 103.94 PRESSAVG: 3882600 13.204 -34.3672 -0.642206 -34.3672 -21.4808 38.0201 -0.64219 38.02 -27.7778 GPRESSAVG: 3882600 14.1166 -33.8592 -2.39012 -35.3763 -22.4885 38.7398 -1.37853 39.5707 -26.9873 TIMING: 3882600 CPU: 11246.6, 0.00286118/step Wall: 11246.6, 0.00286118/step, 0.888077 hours remaining, 211.960938 MB of memory in use. ENERGY: 3882600 729.9982 2074.5929 1965.6302 116.1791 -205906.7564 17367.5642 0.0000 0.0000 34380.4261 -149272.3657 300.2528 -183652.7918 -149173.7127 298.8149 -96.8244 -65.1490 554827.9593 -12.0182 -11.7864 PRESSURE: 3882800 -222.661 -177.565 91.1262 -177.565 -227.182 39.8048 91.1264 39.8021 72.033 GPRESSURE: 3882800 -212.776 -160.938 81.5412 -185.163 -191.061 123.999 91.4263 8.13196 121.387 PRESSAVG: 3882800 19.8738 -4.15936 -26.0514 -4.15931 0.598328 51.5652 -26.0514 51.5652 -23.9446 GPRESSAVG: 3882800 19.6865 -5.48704 -22.9578 -2.81576 1.76205 51.3919 -24.6718 49.7713 -24.6492 TIMING: 3882800 CPU: 11247.2, 0.00287617/step Wall: 11247.2, 0.00287617/step, 0.892571 hours remaining, 211.960938 MB of memory in use. ENERGY: 3882800 759.8657 2101.6823 1939.9898 123.7227 -205802.1567 17460.4917 0.0000 0.0000 34128.9834 -149287.4210 298.0569 -183416.4044 -149197.3113 299.3632 -125.9366 -94.1502 557289.1826 -1.1575 -1.0669 PRESSURE: 3883000 28.0931 -155.653 -203.757 -155.654 -103.46 105.933 -203.758 105.933 -345.621 GPRESSURE: 3883000 42.0358 -155.042 -184.168 -168.92 -41.8678 93.1601 -199.099 103.769 -322.153 PRESSAVG: 3883000 29.4999 -96.3497 -36.4535 -96.3496 14.6807 11.065 -36.4535 11.0649 -5.78589 GPRESSAVG: 3883000 31.2177 -95.609 -39.0014 -97.3759 14.3697 12.1705 -37.1965 12.2871 -6.71698 TIMING: 3883000 CPU: 11247.8, 0.0028731/step Wall: 11247.8, 0.0028731/step, 0.891458 hours remaining, 211.960938 MB of memory in use. ENERGY: 3883000 722.6402 2097.8304 1918.8801 111.0501 -205827.8741 17496.0746 0.0000 0.0000 34232.3721 -149249.0267 298.9598 -183481.3987 -149158.6543 299.3792 -140.3293 -107.3283 557986.3636 12.7983 12.9568 PRESSURE: 3883200 -7.23751 94.0067 69.6624 94.0057 136.584 -31.4496 69.6614 -31.4506 -105.91 GPRESSURE: 3883200 61.1623 169.145 9.9029 144.09 102.161 -88.48 213.79 5.60104 -44.9441 PRESSAVG: 3883200 19.613 -8.25219 -8.69498 -8.25209 15.8324 -23.5309 -8.69491 -23.531 -82.5981 GPRESSAVG: 3883200 19.6563 -8.50681 -7.37595 -8.01482 16.4456 -24.7148 -8.51388 -23.6182 -83.2152 TIMING: 3883200 CPU: 11248.3, 0.00287543/step Wall: 11248.3, 0.00287543/step, 0.892022 hours remaining, 211.960938 MB of memory in use. ENERGY: 3883200 751.6746 2128.3489 1947.8652 114.0578 -206490.6773 17953.2995 0.0000 0.0000 34412.6137 -149182.8175 300.5339 -183595.4311 -149079.2613 299.6535 7.8124 39.4599 557599.1704 -15.7176 -15.7044 PRESSURE: 3883400 -101.069 107.371 82.0983 107.372 -220.139 -30.5805 82.0973 -30.5806 -173.341 GPRESSURE: 3883400 -36.6996 100.713 124.529 47.5953 -210.159 -105.054 26.6479 -18.2781 -137.284 PRESSAVG: 3883400 42.3493 11.6158 19.6474 11.6159 -1.77082 7.75713 19.6474 7.75715 -58.2803 GPRESSAVG: 3883400 41.3177 10.543 20.2144 12.0346 -1.13161 6.67793 18.9712 7.78636 -57.6585 TIMING: 3883400 CPU: 11248.9, 0.00287565/step Wall: 11248.9, 0.00287565/step, 0.891932 hours remaining, 211.960938 MB of memory in use. ENERGY: 3883400 755.1351 2037.1826 1969.6263 98.3262 -205915.8972 17819.2284 0.0000 0.0000 34093.3354 -149143.0631 297.7456 -183236.3986 -149042.4615 299.7143 -164.8493 -128.0477 560037.7194 -5.9006 -5.8241 PRESSURE: 3883600 -112.367 -142.286 -39.0093 -142.284 240.974 85.7462 -39.0101 85.7455 143.152 GPRESSURE: 3883600 -97.2782 -154.056 -58.1304 -114.627 288.317 56.3681 -133.579 26.1347 195.232 PRESSAVG: 3883600 18.6252 -14.8675 7.77275 -14.8675 -0.178762 -17.7666 7.77264 -17.7666 -84.2789 GPRESSAVG: 3883600 18.5453 -13.6426 6.7542 -15.306 -0.161496 -17.5705 7.20755 -17.9954 -83.7972 TIMING: 3883600 CPU: 11249.5, 0.002859/step Wall: 11249.5, 0.002859/step, 0.886607 hours remaining, 211.960938 MB of memory in use. ENERGY: 3883600 702.2251 2089.2025 1952.1084 104.7257 -206486.6189 17999.6384 0.0000 0.0000 34555.8175 -149082.9013 301.7845 -183638.7188 -148987.4674 299.3140 90.5862 128.7569 557279.1696 -21.9442 -21.8045 PRESSURE: 3883800 -15.2878 -88.0591 -119.504 -88.0601 -8.10252 33.9895 -119.503 33.991 176.735 GPRESSURE: 3883800 -17.1056 -172.636 -158.278 -170.09 91.5129 -3.96331 -131.351 79.9753 190.9 PRESSAVG: 3883800 51.5551 -29.494 -22.2818 -29.4939 61.6113 -38.1546 -22.2819 -38.1546 -50.5569 GPRESSAVG: 3883800 51.74 -30.6319 -23.5157 -28.3638 61.0248 -37.9359 -21.2521 -37.5536 -49.8342 TIMING: 3883800 CPU: 11250.1, 0.00290231/step Wall: 11250.1, 0.00290231/step, 0.899878 hours remaining, 211.960938 MB of memory in use. ENERGY: 3883800 749.6809 2089.9588 1958.6473 105.8707 -206480.3401 17800.3958 0.0000 0.0000 34628.5220 -149147.2646 302.4195 -183775.7866 -149043.6237 300.1701 51.1148 88.4356 557219.4541 20.8698 20.9769 PRESSURE: 3884000 -39.888 -175.003 123.173 -175.005 114.532 63.537 123.174 63.5369 -44.4419 GPRESSURE: 3884000 37.6318 -160.097 166.958 -105.898 131.032 102.423 54.3137 70.8625 -43.319 PRESSAVG: 3884000 -12.7245 -45.4359 -11.8271 -45.4359 -20.3932 -6.57318 -11.827 -6.57314 15.0697 GPRESSAVG: 3884000 -13.0182 -44.2537 -9.80068 -46.4983 -19.5324 -4.01694 -12.9659 -8.5894 14.1198 TIMING: 3884000 CPU: 11250.6, 0.00288967/step Wall: 11250.6, 0.00288967/step, 0.895797 hours remaining, 211.960938 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: 3884000 737.3752 2061.7629 1964.0397 112.5880 -206151.1304 17760.5352 0.0000 0.0000 34342.7242 -149172.1052 299.9236 -183514.8294 -149069.3640 299.8294 10.0672 41.7815 557509.7469 -6.0160 -6.1436 PRESSURE: 3884200 -73.7747 184.376 125.729 184.374 10.0993 -19.0193 125.728 -19.0206 -67.4235 GPRESSURE: 3884200 -16.2388 134.486 106.032 263.895 2.44145 4.38217 73.4384 -41.1356 -23.7657 PRESSAVG: 3884200 -37.6649 93.1456 -54.2088 93.1455 24.3675 -11.0091 -54.2089 -11.0092 71.1191 GPRESSAVG: 3884200 -36.7542 90.8914 -53.1202 94.3161 22.9501 -11.0788 -52.8328 -9.60838 71.6272 TIMING: 3884200 CPU: 11251.2, 0.0029032/step Wall: 11251.2, 0.0029032/step, 0.899829 hours remaining, 211.960938 MB of memory in use. ENERGY: 3884200 724.0095 2065.2877 1930.8514 105.5312 -205795.8588 17619.9067 0.0000 0.0000 34335.2031 -149015.0691 299.8579 -183350.2723 -148924.4179 299.6991 -43.6997 -12.5210 558850.1688 19.2739 19.2744 LDB: ============= START OF LOAD BALANCING ============== 11254.6 LDB: ============== END OF LOAD BALANCING =============== 11254.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11254.6 LDB: ============= START OF LOAD BALANCING ============== 11254.9 LDB: Largest compute 4773 load 0.024295 is 20.6% of average load 0.118068 LDB: Average compute 0.001722 is 1.5% of average load 0.118068 LDB: TIME 11254.9 LOAD: AVG 0.118068 MAX 0.177205 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.922 MB LDB: TIME 11254.9 LOAD: AVG 0.118068 MAX 0.177205 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.992 MB LDB: TIME 11254.9 LOAD: AVG 0.118068 MAX 0.177205 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.992 MB LDB: ============== END OF LOAD BALANCING =============== 11254.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11254.9 PRESSURE: 3884400 -106.704 -82.7572 147.805 -82.7576 -145.717 69.1108 147.806 69.1098 -40.7826 GPRESSURE: 3884400 -120.652 -8.58615 131.03 -85.254 -27.0152 112.491 179.87 7.72951 -55.6851 PRESSAVG: 3884400 -0.121576 28.909 23.0393 28.9088 6.26246 -1.34252 23.0392 -1.34244 -7.75484 GPRESSAVG: 3884400 -0.512436 31.2556 23.099 27.5677 6.10086 -3.29393 23.7965 -0.0188188 -7.86641 TIMING: 3884400 CPU: 11251.8, 0.0029445/step Wall: 11251.8, 0.0029445/step, 0.912468 hours remaining, 211.484375 MB of memory in use. ENERGY: 3884400 696.8291 2121.5781 1931.0679 108.5019 -205642.6391 17406.1048 0.0000 0.0000 34425.1297 -148953.4276 300.6432 -183378.5573 -148863.3845 299.8585 -97.7345 -67.7842 558047.1544 -0.5380 -0.7593 PRESSURE: 3884600 -54.504 -77.3458 19.3297 -77.3458 -177.208 -174.885 19.3294 -174.884 -43.3588 GPRESSURE: 3884600 -9.08314 -74.6455 71.722 -84.079 -145.969 -147.05 32.511 -120.215 -21.5113 PRESSAVG: 3884600 15.2781 7.6237 20.7483 7.62373 27.6932 -20.1286 20.7482 -20.1285 -51.4509 GPRESSAVG: 3884600 15.5985 6.83921 20.8207 9.12819 27.5709 -20.5733 21.636 -22.1594 -51.8264 TIMING: 3884600 CPU: 11252.4, 0.00286005/step Wall: 11252.4, 0.00286005/step, 0.886138 hours remaining, 211.484375 MB of memory in use. ENERGY: 3884600 756.0859 2068.7393 1960.1198 103.3407 -205641.1814 17559.1053 0.0000 0.0000 34391.6296 -148802.1608 300.3507 -183193.7904 -148697.8723 299.4815 -91.6902 -58.8544 558119.0669 -2.8265 -2.8857 PRESSURE: 3884800 -93.9967 168.906 36.8431 168.905 -362.985 78.0649 36.8442 78.0646 -238.79 GPRESSURE: 3884800 -35.6849 183.533 -16.8376 126.097 -282.939 16.714 110.45 160.929 -271.43 PRESSAVG: 3884800 28.7755 33.8679 -12.1 33.8679 -3.51989 54.5184 -12.1 54.5184 -23.4683 GPRESSAVG: 3884800 27.5909 36.1081 -11.6775 31.7036 -3.60505 53.7946 -14.7584 55.6217 -22.3545 TIMING: 3884800 CPU: 11253, 0.00286991/step Wall: 11253, 0.00286991/step, 0.889035 hours remaining, 211.484375 MB of memory in use. ENERGY: 3884800 747.7658 2057.7871 1952.9954 108.7863 -205862.4077 17630.8504 0.0000 0.0000 34465.1609 -148899.0618 300.9928 -183364.2227 -148796.7297 300.4179 -231.9238 -196.6848 559398.7440 0.5958 0.5438 PRESSURE: 3885000 -62.7941 -218.615 -74.9288 -218.615 109.595 38.6502 -74.9282 38.6517 -177.07 GPRESSURE: 3885000 -72.8964 -255.864 -29.0878 -129.81 149.671 71.0586 -111.302 -24.5582 -109.462 PRESSAVG: 3885000 -40.4211 -23.9127 -29.9395 -23.9127 30.8156 61.4415 -29.9396 61.4415 25.8242 GPRESSAVG: 3885000 -40.5077 -26.245 -31.2296 -23.5649 31.2236 62.5733 -28.3829 61.749 25.3454 TIMING: 3885000 CPU: 11253.5, 0.00286222/step Wall: 11253.5, 0.00286222/step, 0.886492 hours remaining, 211.484375 MB of memory in use. ENERGY: 3885000 775.3644 2072.1183 1924.2864 106.5485 -205914.9896 17825.6591 0.0000 0.0000 34344.6734 -148866.3394 299.9406 -183211.0129 -148757.9887 300.6027 -43.4231 -10.8961 558927.3178 5.4062 5.3538 PRESSURE: 3885200 71.8555 -68.6433 -78.6993 -68.6437 -18.926 -8.79048 -78.6999 -8.79099 96.0359 GPRESSURE: 3885200 94.6883 -40.0609 6.275 -143.422 16.6768 -27.1509 -83.5932 52.8202 128.025 PRESSAVG: 3885200 42.232 23.9598 -27.0796 23.9598 -11.1735 29.4066 -27.0797 29.4067 -28.438 GPRESSAVG: 3885200 42.4832 24.839 -26.8905 25.9214 -10.3481 29.8092 -27.3559 29.2965 -29.5258 TIMING: 3885200 CPU: 11254.1, 0.00287414/step Wall: 11254.1, 0.00287414/step, 0.890024 hours remaining, 211.484375 MB of memory in use. ENERGY: 3885200 732.4534 2102.9793 1952.0582 121.3386 -206375.7512 17951.9661 0.0000 0.0000 34584.0467 -148930.9089 302.0311 -183514.9556 -148836.2053 300.3123 49.6551 79.7967 558359.2717 0.8735 0.8698 PRESSURE: 3885400 -24.8478 -2.6392 6.1157 -2.63711 2.44611 -289.335 6.11508 -289.335 -33.137 GPRESSURE: 3885400 -1.38736 -21.7193 0.551943 -23.0989 63.301 -235.672 -7.54421 -275.484 -17.5477 PRESSAVG: 3885400 -19.9203 20.7083 -6.15171 20.7082 0.703704 -19.3302 -6.15179 -19.3303 51.0685 GPRESSAVG: 3885400 -20.3141 20.1193 -6.52969 19.1828 0.403722 -19.7894 -8.15394 -20.3568 51.805 TIMING: 3885400 CPU: 11254.7, 0.00287619/step Wall: 11254.7, 0.00287619/step, 0.890499 hours remaining, 211.484375 MB of memory in use. ENERGY: 3885400 751.2187 2137.7201 1937.9559 123.2266 -206220.4369 17891.3590 0.0000 0.0000 34325.5935 -149053.3631 299.7739 -183378.9566 -148957.8485 300.4576 -18.5129 14.7886 559035.6070 10.6173 10.6316 PRESSURE: 3885600 175.59 -9.48566 207.519 -9.48501 -77.593 -72.9356 207.519 -72.9352 -285.028 GPRESSURE: 3885600 220.541 -31.681 223.364 10.2722 -35.7346 -70.0957 229.139 -150.693 -276.992 PRESSAVG: 3885600 -3.45282 -33.9089 79.8827 -33.9089 -5.85449 -38.5116 79.8827 -38.5117 -8.33068 GPRESSAVG: 3885600 -3.04765 -33.8067 80.1128 -31.7682 -6.14628 -37.5154 83.4306 -37.3345 -8.42266 TIMING: 3885600 CPU: 11255.3, 0.00287585/step Wall: 11255.3, 0.00287585/step, 0.890236 hours remaining, 211.484375 MB of memory in use. ENERGY: 3885600 727.5843 2103.5396 1920.0448 112.9019 -206263.8252 17901.7206 0.0000 0.0000 34481.4262 -149016.6077 301.1349 -183498.0340 -148921.2579 299.7929 -62.3439 -30.7287 558982.2299 -5.8793 -5.8722 PRESSURE: 3885800 -47.9155 73.5864 24.5194 73.5862 88.8302 -11.2934 24.5192 -11.2927 2.8857 GPRESSURE: 3885800 -1.27898 53.7207 104.701 25.5174 103.994 -37.6093 -59.1448 -19.471 27.8489 PRESSAVG: 3885800 51.0537 17.1204 0.832224 17.1205 -30.9264 13.002 0.832211 13.002 -57.5561 GPRESSAVG: 3885800 51.0337 18.5575 -0.438318 12.0757 -31.6203 13.5427 -0.565478 12.4306 -56.9763 TIMING: 3885800 CPU: 11255.8, 0.00290377/step Wall: 11255.8, 0.00290377/step, 0.898717 hours remaining, 211.484375 MB of memory in use. ENERGY: 3885800 775.5520 2105.6065 1956.8533 118.9384 -206314.8879 17817.0691 0.0000 0.0000 34487.3632 -149053.5054 301.1867 -183540.8686 -148957.8399 300.0061 14.6001 43.5214 556625.9682 -12.4763 -12.5210 PRESSURE: 3886000 74.725 15.0333 -169.698 15.0339 -119.629 -128.299 -169.698 -128.298 -242.723 GPRESSURE: 3886000 120.232 -60.1886 -113.695 61.7386 -152.229 -133.823 -133.114 -120.14 -163.644 PRESSAVG: 3886000 19.6507 3.08059 -73.0195 3.0806 -30.5318 -24.453 -73.0195 -24.453 58.3678 GPRESSAVG: 3886000 20.0773 1.03304 -71.2621 6.35016 -31.1784 -26.4147 -73.5495 -24.6826 58.6163 TIMING: 3886000 CPU: 11256.4, 0.00287298/step Wall: 11256.4, 0.00287298/step, 0.889029 hours remaining, 211.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3886000 735.8878 2119.4418 1925.9519 116.8961 -205862.1092 17620.6193 0.0000 0.0000 34530.0782 -148813.2342 301.5598 -183343.3124 -148714.9122 300.1303 -95.8756 -65.2138 558303.4014 15.8289 15.8384 PRESSURE: 3886200 -273.08 -26.1896 88.698 -26.189 20.7645 -93.8165 88.6984 -93.8168 -87.8699 GPRESSURE: 3886200 -230.674 -69.0448 17.3429 37.6081 44.2675 -57.2951 31.3405 -122.993 -56.5509 PRESSAVG: 3886200 -46.02 -43.363 -60.0927 -43.363 -52.4926 -13.7024 -60.0926 -13.7023 72.9314 GPRESSAVG: 3886200 -47.4379 -43.3262 -61.3717 -43.1542 -51.3057 -13.4016 -60.1951 -12.2292 72.9297 TIMING: 3886200 CPU: 11257, 0.0029054/step Wall: 11257, 0.0029054/step, 0.898899 hours remaining, 211.484375 MB of memory in use. ENERGY: 3886200 748.4092 2091.7285 1948.4487 119.4579 -205501.7584 17532.1128 0.0000 0.0000 34432.5841 -148629.0171 300.7083 -183061.6012 -148526.3020 301.0939 -113.3953 -80.9858 557560.1799 -8.5271 -8.6046 PRESSURE: 3886400 -57.7757 -83.7427 39.2372 -83.7417 -128.876 -104.153 39.2368 -104.151 152.345 GPRESSURE: 3886400 -61.0317 -19.9189 -44.1294 -23.6887 -61.7278 -194.73 26.8395 -25.0159 202.612 PRESSAVG: 3886400 -0.103353 -14.1389 -38.0469 -14.1389 -64.2748 -21.3702 -38.0468 -21.3702 91.0539 GPRESSAVG: 3886400 -0.0450605 -14.0461 -40.6011 -13.6589 -64.2737 -19.5513 -37.41 -23.4488 91.1249 TIMING: 3886400 CPU: 11257.6, 0.00289304/step Wall: 11257.6, 0.00289304/step, 0.894915 hours remaining, 211.484375 MB of memory in use. ENERGY: 3886400 762.6659 2084.0056 1935.4932 117.3105 -205841.3652 17712.5991 0.0000 0.0000 34445.4191 -148783.8719 300.8204 -183229.2910 -148693.9020 301.1350 -11.4355 26.6174 558610.9868 8.8919 8.9354 PRESSURE: 3886600 -372.765 66.3866 -24.9496 66.3875 51.8144 63.2667 -24.9476 63.2672 48.0555 GPRESSURE: 3886600 -291.795 34.074 6.02241 70.7237 95.8395 -32.6402 33.0199 173.076 20.4812 PRESSAVG: 3886600 71.5261 29.1806 16.7768 29.1805 -64.9969 11.3119 16.7769 11.3121 20.2254 GPRESSAVG: 3886600 71.78 28.4779 20.3471 28.3926 -64.7171 8.78412 15.1528 13.9673 19.9592 TIMING: 3886600 CPU: 11258.1, 0.00287146/step Wall: 11258.1, 0.00287146/step, 0.888078 hours remaining, 211.484375 MB of memory in use. ENERGY: 3886600 772.5996 2118.9059 1933.6497 114.6223 -205635.0857 17551.3655 0.0000 0.0000 34458.8792 -148685.0634 300.9380 -183143.9426 -148595.9820 301.0597 -90.9650 -58.4914 556843.2822 8.9182 9.0074 PRESSURE: 3886800 347.075 -48.4287 -99.1874 -48.4298 195.167 -80.8616 -99.1877 -80.8602 249.558 GPRESSURE: 3886800 312.613 -76.8745 -118.277 -130.704 293.566 -139.976 -108.197 -32.3476 281.123 PRESSAVG: 3886800 16.9861 19.8343 -25.2507 19.8344 -46.4566 -5.44946 -25.2508 -5.44947 45.7027 GPRESSAVG: 3886800 16.802 20.1605 -26.3343 20.7175 -46.3145 -3.86894 -23.1923 -8.57569 45.5545 TIMING: 3886800 CPU: 11258.7, 0.00287726/step Wall: 11258.7, 0.00287726/step, 0.889711 hours remaining, 211.484375 MB of memory in use. ENERGY: 3886800 754.1386 2072.1790 1921.0871 112.1096 -206030.3285 17943.4395 0.0000 0.0000 34285.8727 -148941.5019 299.4271 -183227.3747 -148841.1483 300.3166 263.9333 295.7674 554940.7569 5.4107 5.3474 PRESSURE: 3887000 6.27264 -14.1732 85.6616 -14.1733 -2.97043 75.9592 85.6619 75.9608 -62.2601 GPRESSURE: 3887000 20.4835 -47.8256 123.067 13.0446 -11.8765 55.0623 -15.5816 94.8582 22.9762 PRESSAVG: 3887000 41.914 -10.7067 24.1792 -10.7069 53.1266 19.7422 24.1791 19.7422 -56.2414 GPRESSAVG: 3887000 42.1596 -11.6083 22.5724 -11.6755 52.4362 18.6876 22.421 20.4972 -55.8435 TIMING: 3887000 CPU: 11259.3, 0.00288663/step Wall: 11259.3, 0.00288663/step, 0.89245 hours remaining, 211.484375 MB of memory in use. ENERGY: 3887000 730.9440 2077.5223 1967.8356 109.7582 -205880.5233 17688.1019 0.0000 0.0000 34353.1604 -148953.2010 300.0147 -183306.3614 -148851.1470 300.6034 -19.6526 10.5277 557197.0905 12.9331 12.9174 PRESSURE: 3887200 47.7702 -70.6799 -120.248 -70.6799 -6.92626 116.118 -120.247 116.115 -39.1711 GPRESSURE: 3887200 40.3341 -106.879 -35.2798 -102.747 73.2556 118.236 -70.7925 100.011 -13.9295 PRESSAVG: 3887200 16.0522 -29.3959 30.7513 -29.396 5.75479 47.1554 30.7512 47.1553 -32.8408 GPRESSAVG: 3887200 15.8308 -27.6443 32.2166 -30.3325 6.74012 47.9481 30.1295 46.805 -34.1431 TIMING: 3887200 CPU: 11259.9, 0.00289191/step Wall: 11259.9, 0.00289191/step, 0.893921 hours remaining, 211.484375 MB of memory in use. ENERGY: 3887200 763.9716 2073.4601 1925.9912 109.8606 -206370.8598 18029.9061 0.0000 0.0000 34469.8716 -148997.7985 301.0340 -183467.6701 -148899.3236 300.2763 0.5576 33.2201 557917.9792 -3.6779 -3.8574 PRESSURE: 3887400 171.823 -20.0537 -28.6035 -20.0546 -209.357 -47.8927 -28.603 -47.8931 -230.342 GPRESSURE: 3887400 182.456 -19.3546 50.4727 -46.8356 -184.746 -72.064 -28.5754 -13.9261 -170.155 PRESSAVG: 3887400 43.6074 -28.6456 -2.74905 -28.6455 21.0731 14.9268 -2.74893 14.9267 -16.2055 GPRESSAVG: 3887400 43.0792 -31.3769 -2.49869 -26.9872 20.4334 13.2671 -2.47852 14.8029 -15.2091 TIMING: 3887400 CPU: 11260.5, 0.00289378/step Wall: 11260.5, 0.00289378/step, 0.894339 hours remaining, 211.484375 MB of memory in use. ENERGY: 3887400 805.5610 2080.1572 1920.7850 104.0889 -206401.5575 17836.2569 0.0000 0.0000 34627.5265 -149027.1821 302.4108 -183654.7086 -148927.9923 300.2369 -89.2918 -57.4816 557853.8990 16.1584 16.1012 PRESSURE: 3887600 -286.855 -61.973 153.187 -61.9725 42.4443 25.5571 153.188 25.557 193.66 GPRESSURE: 3887600 -192.17 -14.3191 215.232 -128.028 101.898 63.171 96.455 -43.4124 144.55 PRESSAVG: 3887600 93.2328 -9.52856 55.4044 -9.52865 -30.9848 22.8135 55.4045 22.8137 -83.741 GPRESSAVG: 3887600 93.9033 -5.90185 54.3694 -11.1404 -31.374 24.9014 55.4755 22.7257 -84.2641 TIMING: 3887600 CPU: 11261, 0.00288605/step Wall: 11261, 0.00288605/step, 0.89179 hours remaining, 211.484375 MB of memory in use. ENERGY: 3887600 714.8608 2102.0863 1946.5675 115.5410 -206351.8822 17730.7327 0.0000 0.0000 34596.1925 -149145.9013 302.1372 -183742.0938 -149044.0370 300.3972 -16.9170 18.0927 556782.1036 -7.1644 -7.2450 PRESSURE: 3887800 -328.941 -80.1541 -121.939 -80.155 -131.412 -53.981 -121.94 -53.982 -56.0265 GPRESSURE: 3887800 -239.788 -102.062 -99.1466 -51.3776 -165.09 4.79728 -237.75 -64.7299 -30.8955 PRESSAVG: 3887800 29.9737 -10.5036 30.6801 -10.5036 -21.159 -18.9333 30.6801 -18.9335 -22.0612 GPRESSAVG: 3887800 29.4851 -10.9745 29.5627 -9.50398 -20.7291 -21.3325 32.4163 -19.0486 -22.3399 TIMING: 3887800 CPU: 11261.6, 0.00287759/step Wall: 11261.6, 0.00287759/step, 0.889016 hours remaining, 211.484375 MB of memory in use. ENERGY: 3887800 708.3256 2115.2763 1943.8995 115.1102 -205573.3066 17439.0073 0.0000 0.0000 34176.6058 -149075.0819 298.4728 -183251.6877 -148975.1252 299.9463 -172.1264 -145.2576 558414.8681 -4.4155 -4.5280 PRESSURE: 3888000 -68.6879 23.3106 -98.494 23.3111 163.997 0.615388 -98.4937 0.614909 -82.8003 GPRESSURE: 3888000 -94.8844 -16.9725 -62.7709 108.785 259.146 -23.6622 -111.551 1.95841 -60.3798 PRESSAVG: 3888000 11.2337 -24.5543 -6.8413 -24.5543 29.2279 -7.20432 -6.84141 -7.20441 21.071 GPRESSAVG: 3888000 11.062 -24.4366 -6.22718 -23.5452 28.8981 -7.18367 -6.70232 -5.49448 21.3218 TIMING: 3888000 CPU: 11262.2, 0.00290628/step Wall: 11262.2, 0.00290628/step, 0.897716 hours remaining, 211.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3888000 778.1334 2122.6626 1927.7148 115.2543 -206132.1013 17766.1508 0.0000 0.0000 34348.1452 -149074.0402 299.9709 -183422.1854 -148975.8012 299.9895 4.1695 34.6271 557872.4291 20.5109 20.4273 PRESSURE: 3888200 368.581 -14.4503 113.024 -14.4497 -196.49 41.4193 113.025 41.4177 -110.094 GPRESSURE: 3888200 392.875 18.2702 141.214 -60.4337 -193.687 48.3931 82.7109 -69.9193 -38.3072 PRESSAVG: 3888200 35.5959 -38.8067 22.6894 -38.8067 -32.6318 -48.3678 22.6893 -48.368 -42.1714 GPRESSAVG: 3888200 35.6557 -36.9994 23.1244 -38.9003 -32.405 -47.2641 21.0616 -48.5605 -42.7916 TIMING: 3888200 CPU: 11262.8, 0.00288656/step Wall: 11262.8, 0.00288656/step, 0.891467 hours remaining, 211.484375 MB of memory in use. ENERGY: 3888200 740.4222 2088.5147 1910.1801 103.7956 -206245.5488 17753.4774 0.0000 0.0000 34537.5247 -149111.6340 301.6248 -183649.1587 -149010.0065 299.4566 20.6659 53.6270 558241.5919 -13.0691 -13.1803 LDB: ============= START OF LOAD BALANCING ============== 11266.2 LDB: ============== END OF LOAD BALANCING =============== 11266.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11266.2 LDB: ============= START OF LOAD BALANCING ============== 11266.4 LDB: Largest compute 4792 load 0.023999 is 20.3% of average load 0.118006 LDB: Average compute 0.001731 is 1.5% of average load 0.118006 LDB: TIME 11266.4 LOAD: AVG 0.118006 MAX 0.181868 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.906 MB LDB: TIME 11266.4 LOAD: AVG 0.118006 MAX 0.181868 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.906 MB LDB: TIME 11266.4 LOAD: AVG 0.118006 MAX 0.181868 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.906 MB LDB: ============== END OF LOAD BALANCING =============== 11266.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11266.5 PRESSURE: 3888400 72.2628 32.8168 135.807 32.8182 -18.8572 -83.0137 135.809 -83.0139 60.5031 GPRESSURE: 3888400 137.149 127.178 70.089 36.9459 29.9724 -69.3681 165.019 -96.9846 59.8841 PRESSAVG: 3888400 32.6068 33.8901 1.19259 33.8902 22.7368 -11.526 1.19247 -11.526 -8.26336 GPRESSAVG: 3888400 33.221 30.2591 0.382101 33.6586 21.808 -8.48819 3.05967 -16.109 -7.67542 TIMING: 3888400 CPU: 11263.4, 0.00295239/step Wall: 11263.4, 0.00295239/step, 0.911631 hours remaining, 210.839844 MB of memory in use. ENERGY: 3888400 751.5445 2095.8994 1952.1464 104.1339 -206701.8681 18078.1317 0.0000 0.0000 34570.7605 -149149.2517 301.9150 -183720.0121 -149050.2428 299.9585 37.9696 75.6686 558769.2130 15.6934 15.7846 PRESSURE: 3888600 -141.82 -77.1827 99.0895 -77.1822 -46.6675 -133.697 99.0898 -133.698 -13.4654 GPRESSURE: 3888600 -78.195 -42.0582 81.3054 9.53884 37.5568 -190.905 117.669 -82.6436 -68.8721 PRESSAVG: 3888600 15.7231 -31.5065 8.09942 -31.5065 -51.2306 -49.501 8.09947 -49.5011 -16.3916 GPRESSAVG: 3888600 16.2596 -30.0003 8.3996 -30.4518 -51.2409 -51.3576 7.01976 -46.6489 -17.0515 TIMING: 3888600 CPU: 11263.9, 0.00289949/step Wall: 11263.9, 0.00289949/step, 0.895137 hours remaining, 210.839844 MB of memory in use. ENERGY: 3888600 759.3885 2086.7218 1897.3209 109.4493 -205832.9628 17578.0770 0.0000 0.0000 34352.8403 -149049.1649 300.0119 -183402.0052 -148944.0897 299.2563 -67.3176 -36.5035 558340.7072 -17.2997 -17.3443 PRESSURE: 3888800 -26.3312 -1.8522 154.92 -1.85179 -170.686 -196.447 154.92 -196.445 -224.971 GPRESSURE: 3888800 19.581 8.54139 12.9808 -36.3894 -146.541 -222.009 231.232 -211.409 -186.365 PRESSAVG: 3888800 64.3328 17.9938 25.0798 17.9938 -94.109 -32.9897 25.0799 -32.9897 23.8956 GPRESSAVG: 3888800 63.8569 20.2907 26.2344 15.9156 -93.8638 -32.53 22.6704 -33.1899 24.0858 TIMING: 3888800 CPU: 11264.5, 0.00286615/step Wall: 11264.5, 0.00286615/step, 0.884684 hours remaining, 210.839844 MB of memory in use. ENERGY: 3888800 788.3738 2104.8334 1941.3481 97.7835 -205853.5186 17736.1133 0.0000 0.0000 34154.6597 -149030.4067 298.2811 -183185.0664 -148935.8288 299.2755 -140.6628 -104.4418 559743.9552 -1.9602 -1.9737 PRESSURE: 3889000 -148.16 68.9964 -9.40995 68.9952 -89.1774 3.90341 -9.40944 3.90337 163.825 GPRESSURE: 3889000 -119.917 80.4298 -69.2071 118.213 -50.3043 112.422 -17.4124 -47.4725 203.573 PRESSAVG: 3889000 -2.42712 15.2226 23.2196 15.2226 22.4594 -9.82571 23.2196 -9.82563 -31.7196 GPRESSAVG: 3889000 -0.991845 14.7546 21.6836 17.1311 22.953 -10.8973 26.1543 -8.88972 -32.9811 TIMING: 3889000 CPU: 11265.1, 0.00286267/step Wall: 11265.1, 0.00286267/step, 0.883453 hours remaining, 210.839844 MB of memory in use. ENERGY: 3889000 737.9507 2088.1031 1929.3321 100.6154 -205960.5151 17558.0831 0.0000 0.0000 34537.0800 -149009.3507 301.6209 -183546.4307 -148914.5441 300.9761 -24.5039 11.1172 557378.5717 -3.8958 -3.6733 PRESSURE: 3889200 103.609 -242.792 70.1656 -242.793 -100.048 15.7506 70.166 15.7505 -184.336 GPRESSURE: 3889200 142.07 -203.919 6.90102 -223.309 -79.0949 48.7171 58.5306 59.0449 -141.962 PRESSAVG: 3889200 100.077 -45.344 14.6514 -45.3441 -34.509 40.3094 14.6514 40.3094 -60.262 GPRESSAVG: 3889200 97.3805 -46.2075 15.6487 -45.779 -32.9746 40.6029 13.4695 40.1389 -59.3962 TIMING: 3889200 CPU: 11265.7, 0.00287257/step Wall: 11265.7, 0.00287257/step, 0.886349 hours remaining, 210.839844 MB of memory in use. ENERGY: 3889200 710.5475 2096.6308 1929.6018 118.2705 -205935.6674 17726.5342 0.0000 0.0000 34394.8400 -148959.2426 300.3787 -183354.0826 -148867.3307 300.4423 -60.2587 -26.3291 557492.5893 1.7687 1.6699 PRESSURE: 3889400 70.9604 45.3886 170.087 45.388 1.16701 56.4985 170.087 56.4994 24.6333 GPRESSURE: 3889400 80.2773 21.3555 188.341 40.964 -4.19748 -62.7991 98.2316 42.8464 102.107 PRESSAVG: 3889400 35.5925 -15.7134 47.8994 -15.7134 -16.1386 -27.3366 47.8995 -27.3365 8.35277 GPRESSAVG: 3889400 35.5284 -17.0691 46.0289 -15.3246 -16.2932 -28.6102 47.9491 -26.6625 8.36423 TIMING: 3889400 CPU: 11266.2, 0.00285204/step Wall: 11266.2, 0.00285204/step, 0.879853 hours remaining, 210.839844 MB of memory in use. ENERGY: 3889400 753.1672 2010.7735 1941.6369 105.7987 -206454.0272 18073.7289 0.0000 0.0000 34413.7464 -149155.1756 300.5438 -183568.9220 -149050.4950 299.8259 32.2536 59.3955 559352.4150 9.2689 9.1998 PRESSURE: 3889600 -107.091 96.2907 -69.7572 96.291 -325.065 -59.0075 -69.7567 -59.0093 -9.96223 GPRESSURE: 3889600 -92.7265 27.3988 -14.9037 88.6981 -251.387 -61.5811 -68.8998 -63.2388 3.87022 PRESSAVG: 3889600 -18.7547 -36.6676 -8.20567 -36.6676 -10.6712 6.23012 -8.20562 6.23017 -15.5939 GPRESSAVG: 3889600 -17.6112 -36.1906 -5.9241 -37.8511 -11.2804 9.74375 -8.07365 3.31394 -15.4722 TIMING: 3889600 CPU: 11266.8, 0.00288451/step Wall: 11266.8, 0.00288451/step, 0.889711 hours remaining, 210.839844 MB of memory in use. ENERGY: 3889600 733.0009 2030.7330 1941.2175 113.9199 -205862.8010 17579.4910 0.0000 0.0000 34273.7977 -149190.6410 299.3216 -183464.4387 -149099.4474 299.1768 -147.3729 -113.4144 557963.3218 -15.0066 -14.7880 PRESSURE: 3889800 256.858 66.575 -37.1475 66.5748 56.5695 -31.1651 -37.1472 -31.1639 242.959 GPRESSURE: 3889800 227.062 75.5842 36.7148 43.3793 167.803 -40.8958 -76.2866 -19.1128 262.823 PRESSAVG: 3889800 -50.7177 -8.13407 -10.6853 -8.13416 -25.691 -20.6449 -10.6853 -20.6449 39.7985 GPRESSAVG: 3889800 -50.06 -9.32817 -10.4585 -8.59455 -26.4702 -21.8771 -10.223 -18.3023 39.388 TIMING: 3889800 CPU: 11267.4, 0.00288201/step Wall: 11267.4, 0.00288201/step, 0.888781 hours remaining, 210.839844 MB of memory in use. ENERGY: 3889800 717.7685 2059.7531 1919.4333 107.8378 -206438.9052 18083.0582 0.0000 0.0000 34383.4406 -149167.6136 300.2791 -183551.0543 -149066.1001 299.5279 185.4620 219.2294 555914.6852 -12.2034 -12.3807 PRESSURE: 3890000 149.131 -74.0382 89.8825 -74.0382 161.17 20.0526 89.8824 20.0529 -1.35934 GPRESSURE: 3890000 129.888 -1.23848 129.864 -120.458 254.32 -46.587 11.2643 8.57744 15.0528 PRESSAVG: 3890000 35.1515 1.5943 60.4469 1.59432 -5.50612 20.3617 60.4467 20.3617 2.35176 GPRESSAVG: 3890000 34.4845 3.25223 60.444 1.25086 -4.22732 20.8956 57.5166 20.7416 1.48278 TIMING: 3890000 CPU: 11268, 0.00288149/step Wall: 11268, 0.00288149/step, 0.88846 hours remaining, 210.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3890000 715.3121 2056.8715 1942.0157 114.6377 -205919.7841 17861.4726 0.0000 0.0000 34188.5712 -149040.9034 298.5773 -183229.4745 -148942.8143 299.7718 102.9806 133.0871 559509.8464 10.6657 10.5800 PRESSURE: 3890200 46.0062 48.2581 -60.335 48.2581 -120.008 -144.406 -60.3355 -144.405 81.4005 GPRESSURE: 3890200 108.694 24.2143 -69.2956 -5.70941 -142.509 -111.326 34.575 -227.206 140.295 PRESSAVG: 3890200 -0.680627 -23.0059 23.6982 -23.0058 34.7074 -3.50454 23.6981 -3.50442 -78.1358 GPRESSAVG: 3890200 -1.11685 -23.3561 23.7682 -22.4812 34.1274 -6.30282 26.3721 -3.19304 -77.5815 TIMING: 3890200 CPU: 11268.5, 0.00287393/step Wall: 11268.5, 0.00287393/step, 0.885969 hours remaining, 210.839844 MB of memory in use. ENERGY: 3890200 729.7396 2015.2822 1944.1060 119.3881 -206203.7425 17886.8435 0.0000 0.0000 34231.1118 -149277.2712 298.9488 -183508.3830 -149179.5785 299.4410 2.4662 35.4935 558599.6024 -14.7030 -14.8570 PRESSURE: 3890400 -123.857 -109 10.6818 -109.002 -69.8512 262.317 10.6819 262.317 -91.1869 GPRESSURE: 3890400 -118.354 -125.165 20.9826 -75.7231 -29.1048 258.746 45.4984 268.263 -41.8652 PRESSAVG: 3890400 8.29712 -37.055 9.62927 -37.0551 3.77305 34.0324 9.62927 34.0323 1.5558 GPRESSAVG: 3890400 8.6182 -36.2261 8.83383 -36.4533 3.81303 35.801 9.1898 34.0334 1.37337 TIMING: 3890400 CPU: 11269.1, 0.00286668/step Wall: 11269.1, 0.00286668/step, 0.883575 hours remaining, 210.839844 MB of memory in use. ENERGY: 3890400 754.0828 2031.9022 1954.2603 116.0366 -206124.4240 17695.9619 0.0000 0.0000 34113.4190 -149458.7611 297.9210 -183572.1801 -149366.2732 298.3752 -94.9650 -63.1080 557082.2107 4.5420 4.6015 PRESSURE: 3890600 -49.8419 36.2054 -114.579 36.2052 26.0308 49.662 -114.578 49.6632 -241.961 GPRESSURE: 3890600 23.7629 -1.10598 -109.163 -4.49983 68.0931 -13.3988 -115.108 80.1349 -264.008 PRESSAVG: 3890600 24.0491 -38.7258 -50.1009 -38.7257 -34.2432 5.83078 -50.1009 5.83081 -27.9987 GPRESSAVG: 3890600 24.5493 -40.7694 -47.6079 -38.5097 -34.6761 6.83959 -51.4798 3.20867 -28.3306 TIMING: 3890600 CPU: 11269.7, 0.00288593/step Wall: 11269.7, 0.00288593/step, 0.889348 hours remaining, 210.839844 MB of memory in use. ENERGY: 3890600 753.6799 2087.4848 1946.6938 120.2832 -205992.5433 17651.2083 0.0000 0.0000 34159.4246 -149273.7687 298.3228 -183433.1933 -149179.8191 298.9688 -88.5907 -57.3841 558554.9904 -12.7310 -12.8191 PRESSURE: 3890800 -16.9241 160.293 -30.0385 160.294 -88.6362 117.836 -30.0389 117.835 56.0609 GPRESSURE: 3890800 4.85345 189.208 -68.4893 214.802 -40.523 126.761 54.1623 93.3845 90.1589 PRESSAVG: 3890800 85.4056 -10.2796 -17.4268 -10.2796 -28.378 20.7259 -17.4268 20.7257 -32.4472 GPRESSAVG: 3890800 85.1287 -7.76925 -22.008 -12.0379 -27.6853 21.4211 -16.0851 22.2641 -32.7267 TIMING: 3890800 CPU: 11270.3, 0.00289198/step Wall: 11270.3, 0.00289198/step, 0.891052 hours remaining, 210.839844 MB of memory in use. ENERGY: 3890800 703.2885 2023.0087 1935.2656 103.5416 -206036.3549 17628.5085 0.0000 0.0000 34347.8937 -149294.8482 299.9687 -183642.7420 -149203.4026 298.7007 -16.4998 18.1631 557753.2429 8.1935 8.2389 PRESSURE: 3891000 -56.6541 53.3966 -163.475 53.3953 -91.2993 54.9046 -163.475 54.9037 -143.659 GPRESSURE: 3891000 31.5418 55.382 -136.017 42.6069 -117.195 12.3329 -140.023 60.4999 -105.381 PRESSAVG: 3891000 28.6701 40.4557 11.6785 40.4558 -14.6383 -29.6939 11.6785 -29.6941 7.77181 GPRESSAVG: 3891000 29.2365 39.6161 13.42 41.4579 -16.1309 -31.6881 12.6933 -27.9328 9.05577 TIMING: 3891000 CPU: 11270.8, 0.00287603/step Wall: 11270.8, 0.00287603/step, 0.885976 hours remaining, 210.839844 MB of memory in use. ENERGY: 3891000 715.8701 2052.2578 1915.0809 104.8422 -205952.7894 17498.7011 0.0000 0.0000 34304.0831 -149361.9542 299.5861 -183666.0373 -149261.8496 299.0750 -97.2040 -63.6781 557483.9414 7.2679 7.3871 PRESSURE: 3891200 159.739 83.1164 -18.5639 83.1164 -276.447 64.4458 -18.564 64.4429 -12.4198 GPRESSURE: 3891200 208.394 67.0377 -72.6932 32.8212 -234.015 136.943 -70.7746 42.0584 12.6003 PRESSAVG: 3891200 49.8941 48.3745 -22.1505 48.3745 -23.3452 49.0257 -22.1504 49.0257 -14.5464 GPRESSAVG: 3891200 48.9778 48.0109 -20.3638 48.1143 -22.2719 50.0606 -23.0736 46.7045 -14.2567 TIMING: 3891200 CPU: 11271.4, 0.00288415/step Wall: 11271.4, 0.00288415/step, 0.888318 hours remaining, 210.839844 MB of memory in use. ENERGY: 3891200 729.4485 2030.2955 1919.0409 112.9087 -206230.2804 17741.4995 0.0000 0.0000 34266.9261 -149430.1613 299.2616 -183697.0874 -149338.6077 298.3748 -43.0426 -4.3402 557859.3395 4.0009 4.1497 PRESSURE: 3891400 48.5878 102.749 85.0534 102.749 213.178 58.4132 85.0534 58.412 262.345 GPRESSURE: 3891400 70.6352 108.897 133.727 40.9915 274.713 44.9575 92.8158 200.757 284.48 PRESSAVG: 3891400 -5.42416 -1.11477 -25.4058 -1.11474 -29.816 0.412883 -25.4059 0.412835 31.5107 GPRESSAVG: 3891400 -4.3592 -1.99891 -23.894 -2.14164 -29.4336 1.26898 -25.3229 1.07138 29.4764 TIMING: 3891400 CPU: 11272, 0.00287089/step Wall: 11272, 0.00287089/step, 0.884074 hours remaining, 210.839844 MB of memory in use. ENERGY: 3891400 716.2536 2038.4605 1916.6884 110.3561 -206532.4580 18164.2552 0.0000 0.0000 34235.1390 -149351.3050 298.9840 -183586.4441 -149257.1853 299.0882 174.7036 209.9425 556621.0569 -1.2432 -1.4388 PRESSURE: 3891600 -350.678 -4.83715 80.636 -4.83707 -91.0874 -10.475 80.6349 -10.4767 -59.6635 GPRESSURE: 3891600 -335.681 31.7582 -1.5797 -49.0002 -70.4933 -20.9439 68.6509 3.98354 -1.65031 PRESSAVG: 3891600 3.24198 85.239 -13.2635 85.2389 2.88901 29.2432 -13.2636 29.2432 29.4914 GPRESSAVG: 3891600 4.05624 85.1743 -15.7499 86.8782 1.31287 26.9784 -13.2336 30.2482 30.0816 TIMING: 3891600 CPU: 11272.6, 0.002859/step Wall: 11272.6, 0.002859/step, 0.880255 hours remaining, 210.839844 MB of memory in use. ENERGY: 3891600 781.0988 2090.7186 1923.9246 104.4598 -206346.2471 17799.5807 0.0000 0.0000 34129.1590 -149517.3057 298.0584 -183646.4647 -149420.4004 299.2945 -167.1430 -135.9415 556582.1561 11.8741 11.8169 PRESSURE: 3891800 132.277 -37.2561 -65.4471 -37.2564 112.729 -84.4273 -65.4468 -84.4266 46.328 GPRESSURE: 3891800 168.107 -51.6639 33.8203 -13.2592 122.711 -83.78 -29.4663 -85.8501 112.143 PRESSAVG: 3891800 29.4098 -6.38657 -4.1069 -6.38655 24.7469 -9.20683 -4.10689 -9.20688 -3.073 GPRESSAVG: 3891800 28.6411 -6.09875 -5.36477 -6.82379 25.2124 -8.91141 -4.03317 -8.66374 -3.20845 TIMING: 3891800 CPU: 11273.1, 0.00286553/step Wall: 11273.1, 0.00286553/step, 0.882107 hours remaining, 210.839844 MB of memory in use. ENERGY: 3891800 720.9668 2039.7694 1914.0209 115.1142 -206486.0476 17866.3892 0.0000 0.0000 34123.1419 -149706.6453 298.0059 -183829.7872 -149618.4939 298.4328 97.1115 134.3204 553974.7960 17.0279 16.8817 PRESSURE: 3892000 92.0512 -18.2405 -48.6759 -18.2416 17.9181 6.29293 -48.676 6.2921 -4.60417 GPRESSURE: 3892000 176.896 -28.9984 -21.8361 -94.2614 33.7277 70.977 -90.5578 51.9015 1.12438 PRESSAVG: 3892000 20.6291 -24.2204 -19.838 -24.2204 -34.5499 -55.5752 -19.838 -55.5752 8.31069 GPRESSAVG: 3892000 19.644 -24.5491 -20.8084 -23.6263 -34.3565 -55.0159 -17.6711 -56.6782 8.79574 TIMING: 3892000 CPU: 11273.7, 0.00286622/step Wall: 11273.7, 0.00286622/step, 0.882159 hours remaining, 210.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3892000 753.6276 2049.2582 1938.2236 106.4309 -206710.4249 17935.6728 0.0000 0.0000 34143.3881 -149783.8238 298.1827 -183927.2119 -149688.3522 297.7876 35.1217 70.5827 554455.1504 -1.8700 -1.9723 PRESSURE: 3892200 -0.461036 100.441 -78.5185 100.44 -58.6097 209.299 -78.5186 209.301 -66.5266 GPRESSURE: 3892200 0.0263462 175.244 -124.197 126.389 4.07616 255.681 -28.765 135.037 -46.6854 PRESSAVG: 3892200 20.8676 28.804 -82.497 28.804 -42.8272 -20.0806 -82.497 -20.0805 30.6481 GPRESSAVG: 3892200 21.3432 28.8798 -82.0753 28.902 -43.3473 -19.126 -84.1227 -20.1907 30.9677 TIMING: 3892200 CPU: 11274.3, 0.00286277/step Wall: 11274.3, 0.00286277/step, 0.880939 hours remaining, 210.839844 MB of memory in use. ENERGY: 3892200 752.9924 2072.8327 1934.7257 102.0502 -206431.5921 17800.9428 0.0000 0.0000 34195.6272 -149572.4211 298.6389 -183768.0482 -149472.7464 297.9684 -41.8658 -14.1943 555478.5672 2.8962 2.9879 LDB: ============= START OF LOAD BALANCING ============== 11277.7 LDB: ============== END OF LOAD BALANCING =============== 11277.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11277.7 LDB: ============= START OF LOAD BALANCING ============== 11277.9 LDB: Largest compute 4792 load 0.023386 is 19.8% of average load 0.118058 LDB: Average compute 0.001718 is 1.5% of average load 0.118058 LDB: TIME 11278 LOAD: AVG 0.118058 MAX 0.180797 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.129 MB LDB: TIME 11278 LOAD: AVG 0.118058 MAX 0.180797 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.328 MB LDB: TIME 11278 LOAD: AVG 0.118058 MAX 0.180797 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11278 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11278 PRESSURE: 3892400 167.71 46.7124 -19.6496 46.7114 84.3454 41.4861 -19.6499 41.4867 61.353 GPRESSURE: 3892400 181.615 44.8723 -11.9542 73.041 134.405 46.7405 -107.498 72.5105 84.0015 PRESSAVG: 3892400 26.1865 -26.2453 6.80204 -26.2453 -42.9976 32.8517 6.80202 32.8516 40.7046 GPRESSAVG: 3892400 25.5505 -26.3078 6.67423 -24.901 -42.1742 32.3563 6.80672 33.4706 40.804 TIMING: 3892400 CPU: 11274.9, 0.00292077/step Wall: 11274.9, 0.00292077/step, 0.898622 hours remaining, 211.699219 MB of memory in use. ENERGY: 3892400 729.7173 2072.9051 1926.3719 108.2802 -206340.9426 17893.9905 0.0000 0.0000 34111.9544 -149497.7232 297.9082 -183609.6776 -149397.1276 298.0887 104.4696 133.3405 556039.3027 7.9645 8.0601 PRESSURE: 3892600 159.504 87.0746 -30.8064 87.0733 -28.4342 -63.5479 -30.806 -63.5487 121.321 GPRESSURE: 3892600 165.743 65.9194 -24.5841 101.086 31.5652 26.9828 -56.4762 -39.4308 138.79 PRESSAVG: 3892600 -33.526 14.3444 15.4467 14.3444 17.1779 -3.69809 15.4468 -3.6981 6.60077 GPRESSAVG: 3892600 -32.6812 15.2194 17.2011 12.7486 16.0526 -4.87045 14.3102 -3.41133 6.85203 TIMING: 3892600 CPU: 11275.4, 0.00290609/step Wall: 11275.4, 0.00290609/step, 0.893946 hours remaining, 211.902344 MB of memory in use. ENERGY: 3892600 711.1407 2027.5086 1945.1921 112.5449 -206359.0968 17914.0935 0.0000 0.0000 34120.3852 -149528.2318 297.9818 -183648.6170 -149437.1559 298.3394 84.1302 112.0325 556891.7218 -3.2491 -3.2588 PRESSURE: 3892800 36.9307 172.475 -6.77671 172.474 2.32212 42.5793 -6.77575 42.5797 228.224 GPRESSURE: 3892800 59.267 211.607 1.19817 101.599 -7.58869 46.9591 43.6019 47.3216 313.245 PRESSAVG: 3892800 10.7678 85.6428 13.4531 85.6429 -17.3984 -36.7478 13.4533 -36.7479 13.8854 GPRESSAVG: 3892800 9.86191 84.6504 12.9555 84.9872 -16.5307 -36.8287 12.9913 -37.0371 13.8189 TIMING: 3892800 CPU: 11276, 0.00288987/step Wall: 11276, 0.00288987/step, 0.888794 hours remaining, 211.902344 MB of memory in use. ENERGY: 3892800 762.1551 2024.9082 1946.6576 104.5957 -206471.9097 18059.7869 0.0000 0.0000 34016.5667 -149557.2396 297.0751 -183573.8063 -149457.9339 298.2556 89.1589 121.6412 557222.1981 2.4183 2.3834 PRESSURE: 3893000 142.478 -24.3467 33.1809 -24.3468 146.109 83.2853 33.1805 83.2861 1.99017 GPRESSURE: 3893000 206.635 -34.2636 74.4487 38.6037 140.118 110.814 91.7348 131.058 36.7714 PRESSAVG: 3893000 -35.404 8.08179 41.0546 8.08192 -18.9395 28.9692 41.0546 28.9691 82.17 GPRESSAVG: 3893000 -35.1566 8.73158 39.4514 9.68096 -18.8738 29.4319 42.2108 28.2472 82.0285 TIMING: 3893000 CPU: 11276.6, 0.00286813/step Wall: 11276.6, 0.00286813/step, 0.881951 hours remaining, 212.105469 MB of memory in use. ENERGY: 3893000 757.9804 2026.0980 1917.9710 113.3223 -206655.4841 18039.9415 0.0000 0.0000 34266.1326 -149534.0383 299.2547 -183800.1709 -149437.2995 298.1805 96.8590 127.8417 558133.5644 9.2755 9.3327 PRESSURE: 3893200 3.35473 97.3255 -30.5044 97.3251 -98.0425 -55.2525 -30.504 -55.254 81.9897 GPRESSURE: 3893200 11.1464 110.679 57.1517 94.876 -26.6918 36.8134 21.7005 -116.464 109.049 PRESSAVG: 3893200 26.1009 1.29811 4.67458 1.29812 -15.1 10.2117 4.67463 10.2117 -7.23324 GPRESSAVG: 3893200 26.3514 1.25751 6.60703 -0.603123 -15.8693 10.1066 5.6115 11.7383 -6.8283 TIMING: 3893200 CPU: 11277.2, 0.00285051/step Wall: 11277.2, 0.00285051/step, 0.876374 hours remaining, 212.105469 MB of memory in use. ENERGY: 3893200 746.0162 2060.0965 1925.1532 99.4806 -206289.1711 17818.4386 0.0000 0.0000 34129.4450 -149510.5410 298.0609 -183639.9861 -149418.0725 297.6984 -4.2327 31.1680 558069.9886 1.2559 1.2180 PRESSURE: 3893400 93.9152 -147.524 47.4979 -147.523 5.64908 3.01717 47.4968 3.01625 241.611 GPRESSURE: 3893400 93.5035 -193.855 41.4441 -191.346 105.39 -104.653 52.2433 55.1207 233.96 PRESSAVG: 3893400 41.3801 2.24899 6.74943 2.24899 26.4863 23.1281 6.7495 23.128 -23.1847 GPRESSAVG: 3893400 40.9531 0.993904 5.14868 2.97471 28.1019 24.9531 6.61081 21.7456 -24.8611 TIMING: 3893400 CPU: 11277.7, 0.00288005/step Wall: 11277.7, 0.00288005/step, 0.885295 hours remaining, 212.105469 MB of memory in use. ENERGY: 3893400 724.3460 2006.9269 1938.6163 107.4205 -206780.7158 18045.1972 0.0000 0.0000 34463.2440 -149494.9648 300.9761 -183958.2088 -149391.9679 298.8263 113.7251 144.2845 557292.9255 14.8939 14.7313 PRESSURE: 3893600 79.7221 -17.1538 67.1997 -17.1546 24.0881 111.055 67.1996 111.053 189.787 GPRESSURE: 3893600 73.3193 -54.9093 94.0847 78.0335 86.9595 156.565 79.411 91.6015 224.723 PRESSAVG: 3893600 13.0972 -50.1264 -2.53498 -50.1263 10.9452 15.1038 -2.53506 15.1039 -72.9214 GPRESSAVG: 3893600 14.3986 -51.12 -1.64612 -49.3271 8.63417 14.9809 -4.00816 14.6812 -71.8908 TIMING: 3893600 CPU: 11278.3, 0.00290184/step Wall: 11278.3, 0.00290184/step, 0.891832 hours remaining, 212.105469 MB of memory in use. ENERGY: 3893600 691.4399 2065.0356 1932.3022 111.2636 -206581.0536 18164.4943 0.0000 0.0000 34179.0061 -149437.5119 298.4938 -183616.5181 -149343.6065 298.0975 97.8658 128.3341 558367.4864 -16.2930 -16.2860 PRESSURE: 3893800 -161.372 36.0696 14.8782 36.0704 -94.1142 73.6208 14.878 73.6212 51.0639 GPRESSURE: 3893800 -120.174 -28.5036 132.509 54.3489 -74.885 88.097 -14.4648 76.9026 77.622 PRESSAVG: 3893800 -8.96154 -23.1842 46.421 -23.1842 75.7235 29.3551 46.421 29.355 -71.4916 GPRESSAVG: 3893800 -8.26175 -20.2774 47.0296 -22.5515 75.9439 29.2697 48.4136 30.2128 -71.7743 TIMING: 3893800 CPU: 11278.9, 0.00288404/step Wall: 11278.9, 0.00288404/step, 0.886201 hours remaining, 212.105469 MB of memory in use. ENERGY: 3893800 736.4207 2057.4550 1945.7930 106.7032 -206375.1422 17895.8432 0.0000 0.0000 34039.4607 -149593.4663 297.2751 -183632.9270 -149502.3426 297.9073 -68.1408 -39.1458 558530.3710 -1.5766 -1.3641 PRESSURE: 3894000 66.3769 -5.88878 50.9269 -5.88897 48.3708 225.149 50.9279 225.15 57.567 GPRESSURE: 3894000 107.958 29.1024 22.0374 -67.2082 98.2432 231.222 40.2546 212.111 69.328 PRESSAVG: 3894000 -53.1493 -24.4101 0.545864 -24.4101 51.4507 40.8885 0.545944 40.8886 -20.372 GPRESSAVG: 3894000 -54.9701 -25.2536 -0.618989 -26.5282 53.0306 41.5053 0.828479 40.5758 -19.7253 TIMING: 3894000 CPU: 11279.5, 0.0028911/step Wall: 11279.5, 0.0028911/step, 0.88821 hours remaining, 212.105469 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: 3894000 710.6483 2048.1387 1899.3316 103.9515 -206368.1370 17949.8625 0.0000 0.0000 34270.5639 -149385.6404 299.2934 -183656.2043 -149284.0408 297.7701 57.4382 91.8430 557910.9327 -7.3569 -7.2216 PRESSURE: 3894200 -233.508 -89.7725 -14.3849 -89.7723 57.3564 64.3002 -14.3839 64.2997 -259.936 GPRESSURE: 3894200 -182.998 -100.735 33.5509 -111.177 67.9238 77.0102 35.7545 99.3857 -230.97 PRESSAVG: 3894200 -73.2902 -29.4462 49.9286 -29.4462 74.4117 67.3117 49.9285 67.3117 -6.20264 GPRESSAVG: 3894200 -72.7024 -26.9188 50.6962 -31.1122 73.047 66.9647 49.471 67.5663 -5.34411 TIMING: 3894200 CPU: 11280, 0.0028609/step Wall: 11280, 0.0028609/step, 0.878774 hours remaining, 212.105469 MB of memory in use. ENERGY: 3894200 749.1036 2075.2991 1916.3352 109.7801 -205865.1833 17592.0129 0.0000 0.0000 33908.1495 -149514.5029 296.1283 -183422.6525 -149415.1173 298.2023 -145.3627 -115.3480 557495.6352 -1.6937 -1.6665 PRESSURE: 3894400 -190.729 33.6787 27.3893 33.678 15.7287 122.398 27.3898 122.4 -185.556 GPRESSURE: 3894400 -133.997 69.0107 -6.13811 -5.25322 29 106.529 6.90249 156.224 -153.508 PRESSAVG: 3894400 -17.0043 -6.64152 21.761 -6.64151 120.538 5.64746 21.7609 5.64738 -43.342 GPRESSAVG: 3894400 -17.0497 -8.84026 19.691 -4.14984 121.807 4.64468 22.4779 3.65309 -43.7801 TIMING: 3894400 CPU: 11280.6, 0.00285874/step Wall: 11280.6, 0.00285874/step, 0.877951 hours remaining, 212.105469 MB of memory in use. ENERGY: 3894400 780.6082 2081.3412 1907.7339 117.8752 -206542.6921 17970.7539 0.0000 0.0000 34323.0153 -149361.3643 299.7514 -183684.3797 -149267.3151 298.2134 -120.1853 -86.1683 559284.1044 20.0640 20.3257 PRESSURE: 3894600 86.562 53.6152 99.3586 53.6161 159.708 -60.3656 99.3591 -60.3655 -32.7689 GPRESSURE: 3894600 178.384 9.81688 11.0982 113.227 188.602 -77.5422 128.337 -45.6907 -49.5218 PRESSAVG: 3894600 23.1691 26.0252 61.1398 26.0253 76.6123 -27.0144 61.1397 -27.0143 -121.186 GPRESSAVG: 3894600 24.1313 27.7144 62.7168 25.6379 76.794 -27.9078 60.5322 -25.5769 -122.45 TIMING: 3894600 CPU: 11281.2, 0.00285637/step Wall: 11281.2, 0.00285637/step, 0.877065 hours remaining, 212.105469 MB of memory in use. ENERGY: 3894600 709.8578 2008.6909 1942.4716 117.6692 -206610.8207 17961.1358 0.0000 0.0000 34380.5922 -149490.4032 300.2543 -183870.9954 -149387.8249 298.5755 71.1671 105.8213 556922.1799 -7.1348 -7.1747 PRESSURE: 3894800 8.82816 -14.9319 -45.9814 -14.9325 -279.88 -20.9897 -45.9821 -20.9879 -305.299 GPRESSURE: 3894800 17.9527 -7.72348 82.4458 22.8016 -212.243 -36.4028 -112.035 -19.9786 -301.23 PRESSAVG: 3894800 30.1061 -40.3949 13.6141 -40.3948 -12.964 28.4172 13.6141 28.4172 -21.6797 GPRESSAVG: 3894800 29.291 -42.0503 13.1395 -38.9141 -13.5466 29.5675 13.3047 28.5671 -20.1737 TIMING: 3894800 CPU: 11281.8, 0.00284767/step Wall: 11281.8, 0.00284767/step, 0.874235 hours remaining, 212.105469 MB of memory in use. ENERGY: 3894800 759.1059 2114.8802 1921.7953 116.6864 -206353.0834 17694.4911 0.0000 0.0000 34334.3466 -149411.7779 299.8504 -183746.1245 -149309.6779 297.9844 -192.1172 -165.1734 558903.5637 -1.5125 -1.4764 PRESSURE: 3895000 169.313 46.1745 -80.5352 46.1743 -60.4017 33.1775 -80.5351 33.1793 183.004 GPRESSURE: 3895000 231.259 20.3389 -147.535 4.92309 17.628 -41.1372 -85.1725 53.3015 144.364 PRESSAVG: 3895000 2.21095 35.5086 -13.8533 35.5086 14.4325 25.3556 -13.8533 25.3557 27.5631 GPRESSAVG: 3895000 2.75905 34.8238 -13.7065 33.9696 14.9595 24.5255 -15.4552 26.4364 27.006 TIMING: 3895000 CPU: 11282.3, 0.0028612/step Wall: 11282.3, 0.0028612/step, 0.87823 hours remaining, 212.105469 MB of memory in use. ENERGY: 3895000 722.4199 2095.5758 1932.7391 124.5158 -206342.6172 17848.7350 0.0000 0.0000 34151.1560 -149467.4756 298.2505 -183618.6315 -149372.3472 298.4851 97.3052 131.0835 554671.7075 14.7355 14.9082 PRESSURE: 3895200 86.0515 139.303 14.3186 139.302 -141.875 61.8301 14.3197 61.8289 -33.282 GPRESSURE: 3895200 41.6104 196.158 52.2182 164.084 -67.0835 115.51 -32.5389 69.5851 33.917 PRESSAVG: 3895200 80.7646 -14.2887 -5.24787 -14.2887 -99.03 33.9872 -5.24787 33.9871 -31.0718 GPRESSAVG: 3895200 81.2384 -12.0174 -5.38997 -15.3733 -99.7444 35.4312 -3.64071 32.8045 -31.2882 TIMING: 3895200 CPU: 11282.9, 0.00287609/step Wall: 11282.9, 0.00287609/step, 0.882639 hours remaining, 212.105469 MB of memory in use. ENERGY: 3895200 734.7707 2052.5187 1912.5663 112.9473 -206284.6176 17812.9054 0.0000 0.0000 34255.5328 -149403.3764 299.1621 -183658.9092 -149304.3176 298.3814 -29.7018 2.8146 556302.9609 -16.4458 -16.5981 PRESSURE: 3895400 -259.52 -21.6599 235.173 -21.6596 -214.86 86.2711 235.174 86.2703 50.8604 GPRESSURE: 3895400 -195.113 45.2378 246.88 -69.4653 -213.007 36.8668 198.494 145.227 84.6351 PRESSAVG: 3895400 26.9655 -8.9225 -7.89391 -8.92255 -5.96552 -5.07585 -7.89391 -5.07594 -11.1785 GPRESSAVG: 3895400 26.4103 -11.9322 -5.79435 -5.40138 -5.87161 -4.20475 -8.11888 -4.97047 -10.5074 TIMING: 3895400 CPU: 11283.5, 0.00287868/step Wall: 11283.5, 0.00287868/step, 0.883275 hours remaining, 212.105469 MB of memory in use. ENERGY: 3895400 747.7682 2029.3372 1898.1818 119.0916 -205843.8344 17580.7581 0.0000 0.0000 34046.3498 -149422.3477 297.3352 -183468.6975 -149327.9258 298.5801 -141.1730 -107.8284 558039.7402 3.2738 3.3438 PRESSURE: 3895600 -36.1172 8.16254 -49.5987 8.16276 111.387 -12.4897 -49.6006 -12.4887 278.561 GPRESSURE: 3895600 -0.216802 74.0867 -3.95011 12.5886 139.612 0.116981 -80.9285 23.1434 311.371 PRESSAVG: 3895600 -20.6377 -29.177 62.7552 -29.177 -42.5369 52.519 62.7552 52.5192 73.17 GPRESSAVG: 3895600 -21.6997 -29.0843 62.6043 -28.9255 -41.5378 52.7452 64.4187 53.7354 72.5824 TIMING: 3895600 CPU: 11284.1, 0.0028652/step Wall: 11284.1, 0.0028652/step, 0.87898 hours remaining, 212.105469 MB of memory in use. ENERGY: 3895600 743.2265 2047.8953 1963.3104 100.4085 -206620.1026 18031.0936 0.0000 0.0000 34236.9736 -149497.1947 299.0000 -183734.1682 -149402.7048 298.0999 117.9435 150.2554 555568.1718 3.3318 3.1150 PRESSURE: 3895800 -242.513 -27.6708 201.268 -27.6706 -189.392 -87.9167 201.268 -87.9164 -350.505 GPRESSURE: 3895800 -243.725 18.6508 158.152 -145.637 -171.857 -122.851 98.3299 -159.975 -244.66 PRESSAVG: 3895800 -11.7834 -7.04372 50.5346 -7.04381 15.1995 53.4822 50.5346 53.4822 -32.7012 GPRESSAVG: 3895800 -11.5504 -2.97493 51.4726 -9.15326 14.6412 52.9283 47.9639 51.5028 -32.4948 TIMING: 3895800 CPU: 11284.6, 0.00286889/step Wall: 11284.6, 0.00286889/step, 0.879952 hours remaining, 212.105469 MB of memory in use. ENERGY: 3895800 732.3166 2042.0365 1919.9252 104.8300 -205846.9562 17338.7634 0.0000 0.0000 34236.0271 -149473.0573 298.9917 -183709.0844 -149371.5762 298.8772 -260.8033 -220.0806 557462.8972 -9.7617 -9.8013 PRESSURE: 3896000 60.7478 -120.604 -17.8812 -120.602 -134.324 -167.969 -17.881 -167.968 17.2338 GPRESSURE: 3896000 91.5902 -14.1135 -30.2769 -116.425 -95.2432 -251.212 24.6602 -101.156 42.0972 PRESSAVG: 3896000 -43.9977 -0.375797 7.69579 -0.375769 -14.5725 26.782 7.69579 26.7819 66.093 GPRESSAVG: 3896000 -42.2561 -1.48929 6.89186 -2.0021 -14.6503 26.5817 6.69196 27.0858 64.1207 TIMING: 3896000 CPU: 11285.2, 0.00285649/step Wall: 11285.2, 0.00285649/step, 0.87599 hours remaining, 212.105469 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: 3896000 704.5470 2020.9352 1923.0557 127.8626 -205994.0547 17509.8773 0.0000 0.0000 34334.2115 -149373.5655 299.8492 -183707.7770 -149273.8307 298.5348 -18.7807 12.8147 557229.4240 2.5076 2.4048 PRESSURE: 3896200 -194.907 -40.2303 22.3085 -40.2299 44.4027 -183.41 22.3099 -183.409 -203.124 GPRESSURE: 3896200 -143.065 -40.7867 2.67541 16.7689 77.3035 -104.812 41.4501 -166.968 -189.073 PRESSAVG: 3896200 -13.0728 -35.1373 24.3045 -35.1374 35.7577 -11.0384 24.3045 -11.0384 0.638764 GPRESSAVG: 3896200 -14.295 -33.7912 23.3152 -33.1375 36.3215 -8.46063 26.8702 -13.1648 1.27304 TIMING: 3896200 CPU: 11285.8, 0.00287343/step Wall: 11285.8, 0.00287343/step, 0.881026 hours remaining, 212.105469 MB of memory in use. ENERGY: 3896200 748.4064 2086.4214 1912.6729 110.2294 -206149.3562 17723.9864 0.0000 0.0000 34055.8927 -149511.7470 297.4186 -183567.6397 -149414.5810 298.5942 -117.8760 -84.9447 557446.3721 7.7746 7.7665 LDB: ============= START OF LOAD BALANCING ============== 11289.2 LDB: ============== END OF LOAD BALANCING =============== 11289.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11289.2 LDB: ============= START OF LOAD BALANCING ============== 11289.5 LDB: Largest compute 4792 load 0.024431 is 20.7% of average load 0.118020 LDB: Average compute 0.001727 is 1.5% of average load 0.118020 LDB: TIME 11289.5 LOAD: AVG 0.11802 MAX 0.179624 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 11289.5 LOAD: AVG 0.11802 MAX 0.179624 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.551 MB LDB: TIME 11289.5 LOAD: AVG 0.11802 MAX 0.179624 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.551 MB LDB: ============== END OF LOAD BALANCING =============== 11289.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11289.5 PRESSURE: 3896400 207.939 -119.607 35.6936 -119.608 -11.8561 36.1561 35.6934 36.1566 332.735 GPRESSURE: 3896400 264.321 -112.171 74.9152 -125.323 38.2246 8.67018 30.3994 103.166 313.473 PRESSAVG: 3896400 -12.0517 21.3604 3.06242 21.3604 -4.59618 -5.69908 3.06241 -5.69918 -6.26008 GPRESSAVG: 3896400 -12.1209 19.144 4.30059 21.0936 -5.45805 -8.26151 0.580918 -1.69629 -5.90985 TIMING: 3896400 CPU: 11286.4, 0.0029267/step Wall: 11286.4, 0.0029267/step, 0.897196 hours remaining, 210.863281 MB of memory in use. ENERGY: 3896400 729.1491 2080.2257 1919.1716 101.4822 -206362.2171 17909.1568 0.0000 0.0000 34408.2503 -149214.7814 300.4958 -183623.0317 -149114.7182 298.5692 176.2725 205.3397 557101.8941 -7.6360 -7.8296 PRESSURE: 3896600 -106.582 22.9314 62.0921 22.9308 -162.984 32.4503 62.0914 32.4519 -224.326 GPRESSURE: 3896600 -128.049 6.22098 -0.172832 97.4536 -104.128 0.216116 93.3475 -40.3936 -161.526 PRESSAVG: 3896600 38.5558 -5.04735 -27.3895 -5.04745 6.39784 49.6085 -27.3895 49.6086 -88.0897 GPRESSAVG: 3896600 38.8646 -4.87928 -28.3005 -3.49535 6.66831 50.4636 -24.5751 47.725 -88.9183 TIMING: 3896600 CPU: 11286.9, 0.00285418/step Wall: 11286.9, 0.00285418/step, 0.874806 hours remaining, 210.863281 MB of memory in use. ENERGY: 3896600 776.1957 2139.4837 1938.2549 111.8612 -206034.2254 17579.6424 0.0000 0.0000 34347.1501 -149141.6374 299.9622 -183488.7874 -149049.2030 299.0422 -164.6308 -131.2343 556268.5982 -14.3787 -14.4618 PRESSURE: 3896800 -302.39 -131.152 114.241 -131.152 -0.0462021 -57.198 114.24 -57.1967 -65.4093 GPRESSURE: 3896800 -220.568 -97.3022 90.9746 -147.217 1.77531 -85.2025 24.9462 -108.917 -35.1713 PRESSAVG: 3896800 -19.9134 -2.94892 51.5237 -2.94878 -10.7045 22.0164 51.5237 22.0166 30.8574 GPRESSAVG: 3896800 -19.7764 -0.399766 50.8644 -7.51008 -10.4896 20.5991 48.9062 22.0494 30.4843 TIMING: 3896800 CPU: 11287.5, 0.00286467/step Wall: 11287.5, 0.00286467/step, 0.877862 hours remaining, 210.863281 MB of memory in use. ENERGY: 3896800 764.6896 2075.1981 1946.3738 116.6522 -205966.5682 17537.7304 0.0000 0.0000 34401.5257 -149124.3985 300.4371 -183525.9241 -149028.1627 299.9444 -122.6151 -84.6546 557385.2362 0.0798 0.0728 PRESSURE: 3897000 -61.447 24.3795 -142.911 24.3801 109.315 -45.6309 -142.91 -45.6314 -26.1629 GPRESSURE: 3897000 -48.0399 -60.9075 -119.364 61.582 77.9156 23.3526 -118.728 -138.224 86.5684 PRESSAVG: 3897000 21.845 -14.0539 43.5185 -14.0539 40.9126 -3.53353 43.5184 -3.53362 -50.6196 GPRESSAVG: 3897000 20.1649 -16.53 43.2817 -12.5044 41.2511 -3.5064 45.8245 -3.64078 -49.3116 TIMING: 3897000 CPU: 11288.1, 0.00285512/step Wall: 11288.1, 0.00285512/step, 0.874778 hours remaining, 210.863281 MB of memory in use. ENERGY: 3897000 706.3411 2086.2010 1925.3164 111.4742 -206065.3953 17738.7814 0.0000 0.0000 34280.5986 -149216.6827 299.3810 -183497.2813 -149121.4630 299.2007 7.2350 38.8147 556756.9252 4.0460 4.0348 PRESSURE: 3897200 -18.9 61.2805 38.5168 61.2799 -81.6603 -46.5044 38.5163 -46.5034 -146.321 GPRESSURE: 3897200 -17.4812 86.8583 -0.892306 67.6014 -51.2659 -23.2171 48.6244 53.7315 -83.8164 PRESSAVG: 3897200 -26.9329 -3.82401 -15.0362 -3.82407 63.9095 -1.19292 -15.0363 -1.19294 -7.26642 GPRESSAVG: 3897200 -25.9137 -3.47657 -13.8359 -2.31035 62.951 -0.931186 -15.746 -0.73517 -7.45832 TIMING: 3897200 CPU: 11288.6, 0.00285537/step Wall: 11288.6, 0.00285537/step, 0.874696 hours remaining, 210.863281 MB of memory in use. ENERGY: 3897200 744.4937 2084.2321 1919.6237 115.4271 -205942.8932 17695.3944 0.0000 0.0000 34023.4871 -149360.2350 297.1356 -183383.7221 -149267.0008 298.6479 -82.2938 -50.8545 557773.6181 9.9034 9.8597 PRESSURE: 3897400 37.3423 -53.9664 -70.1089 -53.9667 36.5742 -87.5772 -70.1075 -87.5764 -109.103 GPRESSURE: 3897400 48.1672 22.0499 -59.5006 -96.1369 114.603 -47.1411 -94.8868 -86.2623 -103.658 PRESSAVG: 3897400 -56.5615 17.5647 -16.1094 17.5646 40.5441 51.7033 -16.1094 51.7032 -42.2925 GPRESSAVG: 3897400 -56.2787 18.7465 -18.0169 17.2178 40.7157 51.4983 -15.0254 51.0259 -42.7254 TIMING: 3897400 CPU: 11289.2, 0.00286165/step Wall: 11289.2, 0.00286165/step, 0.876459 hours remaining, 210.863281 MB of memory in use. ENERGY: 3897400 738.0743 2086.8082 1934.7426 121.7317 -206477.5819 17849.9085 0.0000 0.0000 34332.3157 -149414.0009 299.8327 -183746.3166 -149322.1100 298.9124 -11.7289 19.7040 554769.5047 -19.4366 -19.4295 PRESSURE: 3897600 123.227 -45.979 116.938 -45.9789 -47.2373 149.206 116.939 149.207 -57.6479 GPRESSURE: 3897600 167.709 -80.4826 150.484 -105.311 -12.8531 133.528 70.9966 157.921 -33.8024 PRESSAVG: 3897600 6.54297 -58.5408 24.7709 -58.5409 47.1006 16.2679 24.771 16.2679 -36.2085 GPRESSAVG: 3897600 6.2497 -60.2574 25.1697 -56.8471 46.3677 16.6915 23.9878 15.8441 -35.8173 TIMING: 3897600 CPU: 11289.8, 0.00286562/step Wall: 11289.8, 0.00286562/step, 0.877518 hours remaining, 210.863281 MB of memory in use. ENERGY: 3897600 765.0485 2057.7342 1946.7594 106.9342 -206340.9165 17888.6733 0.0000 0.0000 33906.3447 -149669.4223 296.1125 -183575.7669 -149575.2792 298.1107 6.1141 40.3512 556952.2950 5.8117 5.6000 PRESSURE: 3897800 158.919 -44.3339 110.863 -44.3341 96.4863 96.3995 110.863 96.3974 -198.274 GPRESSURE: 3897800 224 17.8981 222.634 -98.6974 131.116 194.742 34.3207 57.855 -191.156 PRESSAVG: 3897800 -21.4946 -23.8 19.7716 -23.8 33.7746 44.0698 19.7717 44.0699 -19.3173 GPRESSAVG: 3897800 -21.2584 -23.6875 20.8824 -23.3377 34.4123 43.5109 18.592 45.4452 -19.8142 TIMING: 3897800 CPU: 11290.4, 0.00287906/step Wall: 11290.4, 0.00287906/step, 0.881473 hours remaining, 210.863281 MB of memory in use. ENERGY: 3897800 739.4236 2061.8846 1914.7792 117.3701 -206651.0827 17883.9093 0.0000 0.0000 34199.7214 -149733.9945 298.6747 -183933.7159 -149630.2555 297.9825 19.0438 54.6533 556118.0350 -2.3458 -2.2201 PRESSURE: 3898000 25.6667 146.016 188.52 146.015 31.2883 -165.534 188.521 -165.534 13.9941 GPRESSURE: 3898000 -3.46568 99.1887 146.107 100.882 46.4351 -175.011 196.962 -146.283 115.7 PRESSAVG: 3898000 -22.0295 -8.04071 68.4097 -8.04069 58.7046 26.3689 68.4097 26.3689 -37.0353 GPRESSAVG: 3898000 -21.7766 -6.70795 66.8541 -9.81678 58.078 28.4069 70.6417 26.2803 -36.259 TIMING: 3898000 CPU: 11290.9, 0.00287708/step Wall: 11290.9, 0.00287708/step, 0.880706 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3898000 751.9146 2084.8141 1901.6506 106.4990 -206960.5346 18023.1136 0.0000 0.0000 34327.7762 -149764.7664 299.7930 -184092.5426 -149664.2984 298.2529 23.6497 52.8900 556405.2711 -0.1201 0.0141 PRESSURE: 3898200 39.2649 176.746 111.884 176.746 -133.981 -180.857 111.884 -180.856 -103.625 GPRESSURE: 3898200 84.1119 189.863 19.1197 204.036 -116.275 -198.088 142.374 -150.707 -63.7179 PRESSAVG: 3898200 13.6005 -22.8451 30.4949 -22.8451 -16.9558 -6.91419 30.4948 -6.91417 -16.4032 GPRESSAVG: 3898200 13.3056 -21.2906 30.7576 -22.9556 -16.6912 -8.87257 29.8318 -8.49707 -15.6101 TIMING: 3898200 CPU: 11291.5, 0.00288035/step Wall: 11291.5, 0.00288035/step, 0.881549 hours remaining, 210.863281 MB of memory in use. ENERGY: 3898200 741.3771 2117.6748 1906.4305 99.7526 -206566.7680 17912.2679 0.0000 0.0000 33838.5623 -149950.7027 295.5206 -183789.2650 -149848.4060 297.3971 -66.1136 -31.9603 556829.9756 -6.5862 -6.3319 PRESSURE: 3898400 -120.684 13.8699 -170.154 13.8702 -176.044 -24.6521 -170.155 -24.6503 92.0838 GPRESSURE: 3898400 -113.989 12.9389 -174.362 5.21193 -131.002 -78.2535 -125.249 -58.8376 133.345 PRESSAVG: 3898400 -3.95477 18.0317 -13.6621 18.0317 -51.6442 -45.3097 -13.6622 -45.3097 47.6007 GPRESSAVG: 3898400 -3.54256 16.8546 -12.559 16.5922 -51.2132 -43.0147 -14.4635 -44.6823 46.5672 TIMING: 3898400 CPU: 11292.1, 0.00287483/step Wall: 11292.1, 0.00287483/step, 0.879698 hours remaining, 210.863281 MB of memory in use. ENERGY: 3898400 735.2413 2057.2324 1912.1044 115.6789 -206231.4661 17842.1462 0.0000 0.0000 33783.6232 -149785.4397 295.0408 -183569.0629 -149690.6412 297.0148 -68.2147 -37.2153 557724.9095 -2.6661 -2.7295 PRESSURE: 3898600 -17.5909 -44.3284 156.286 -44.3283 -160.011 107.9 156.286 107.9 -200.875 GPRESSURE: 3898600 -15.0168 -134.522 163.741 6.31624 -44.3082 49.576 115.607 206.665 -225.682 PRESSAVG: 3898600 -15.2545 -19.888 49.0625 -19.888 4.52687 18.8867 49.0626 18.8868 41.6662 GPRESSAVG: 3898600 -16.6995 -19.1693 48.5786 -18.7505 5.30001 18.3545 50.6253 19.1839 42.3558 TIMING: 3898600 CPU: 11292.7, 0.00286894/step Wall: 11292.7, 0.00286894/step, 0.877736 hours remaining, 210.863281 MB of memory in use. ENERGY: 3898600 767.0004 2075.9931 1925.6889 105.2460 -206663.7891 17900.8248 0.0000 0.0000 34180.0888 -149708.9471 298.5032 -183889.0359 -149614.1090 297.9245 -126.1589 -95.0023 558107.2018 10.3129 10.3188 PRESSURE: 3898800 -58.2882 -124.381 6.36917 -124.381 124.269 24.3472 6.37007 24.3472 -37.3357 GPRESSURE: 3898800 -65.3692 -19.5235 -72.3715 -112.107 192.677 33.1556 -8.52257 40.3284 -9.57303 PRESSAVG: 3898800 18.2672 -18.3341 7.20549 -18.3341 -59.7421 8.39518 7.20549 8.3953 16.4532 GPRESSAVG: 3898800 17.6421 -18.9525 5.68938 -17.3616 -59.7972 8.14208 5.80179 6.38777 17.0852 TIMING: 3898800 CPU: 11293.2, 0.0028724/step Wall: 11293.2, 0.0028724/step, 0.878634 hours remaining, 210.863281 MB of memory in use. ENERGY: 3898800 745.6295 2061.7712 1943.9984 96.0805 -206395.8326 17826.3357 0.0000 0.0000 34165.7310 -149556.2861 298.3778 -183722.0172 -149464.1227 297.8620 9.5485 39.2450 557814.7201 -8.3406 -8.3566 PRESSURE: 3899000 -41.885 217.584 -6.25216 217.584 25.8464 57.2266 -6.25224 57.2265 245.087 GPRESSURE: 3899000 -11.6734 242.145 -3.07372 125.277 39.4818 65.2783 -36.1823 74.0262 293.773 PRESSAVG: 3899000 -0.68351 2.98288 12.4398 2.98295 52.2174 -9.25702 12.4398 -9.257 -14.6048 GPRESSAVG: 3899000 0.226967 0.544233 13.6619 0.961483 51.352 -8.53401 13.9945 -7.83511 -14.5599 TIMING: 3899000 CPU: 11293.8, 0.00288862/step Wall: 11293.8, 0.00288862/step, 0.883437 hours remaining, 210.863281 MB of memory in use. ENERGY: 3899000 723.0289 2068.3405 1924.6466 119.9138 -206546.9202 17977.0524 0.0000 0.0000 34231.9114 -149502.0266 298.9558 -183733.9380 -149398.1960 298.3037 76.3495 107.1940 557148.1718 12.3097 12.3397 PRESSURE: 3899200 -271.835 93.8644 -119.74 93.8641 -135.547 23.9114 -119.742 23.9129 -302.242 GPRESSURE: 3899200 -245.076 130.996 -131.208 73.6004 -94.4298 25.1206 -30.48 78.3629 -261.99 PRESSAVG: 3899200 -51.4081 17.8346 -84.2544 17.8346 -1.70828 6.2541 -84.2545 6.25402 37.274 GPRESSAVG: 3899200 -49.3516 18.9533 -84.2853 18.6701 -2.46498 4.85447 -83.7953 6.19649 36.0964 TIMING: 3899200 CPU: 11294.4, 0.00287612/step Wall: 11294.4, 0.00287612/step, 0.879455 hours remaining, 210.863281 MB of memory in use. ENERGY: 3899200 760.8740 2079.6371 1903.2826 106.7402 -206122.3427 17637.9123 0.0000 0.0000 34075.2174 -149558.6791 297.5873 -183633.8966 -149459.7010 297.9522 -236.5415 -200.4986 558421.5514 -5.2808 -5.2401 PRESSURE: 3899400 68.7248 -42.3278 194.772 -42.3284 -10.0727 89.3728 194.772 89.3724 -18.0485 GPRESSURE: 3899400 109.574 -54.3402 157.404 -110.687 1.38255 25.7221 184.861 147.678 24.2345 PRESSAVG: 3899400 4.14894 62.3073 7.21089 62.3072 -7.48471 -45.7954 7.21101 -45.7953 17.5327 GPRESSAVG: 3899400 2.28271 62.2848 7.18117 61.1071 -6.09298 -47.3012 4.48895 -45.2844 18.0345 TIMING: 3899400 CPU: 11295, 0.00288295/step Wall: 11295, 0.00288295/step, 0.881382 hours remaining, 210.863281 MB of memory in use. ENERGY: 3899400 794.2228 2055.9212 1946.2720 115.1658 -206424.1861 17935.0914 0.0000 0.0000 34033.9333 -149543.5795 297.2268 -183577.5129 -149448.4636 297.9746 13.5345 45.0636 556286.9531 4.7323 4.7414 PRESSURE: 3899600 13.2955 -83.8815 158.803 -83.8821 -270.556 -1.77903 158.803 -1.77998 125.677 GPRESSURE: 3899600 106.429 -54.9919 145.189 -101.241 -234.217 -46.2834 204.636 -7.64206 96.1381 PRESSAVG: 3899600 -25.1875 17.3172 21.9019 17.3172 -67.9569 -34.6266 21.9018 -34.6267 111.942 GPRESSAVG: 3899600 -24.9953 17.1997 22.4757 18.2937 -68.0188 -32.2439 21.7538 -37.4231 112.046 TIMING: 3899600 CPU: 11295.6, 0.00288533/step Wall: 11295.6, 0.00288533/step, 0.881949 hours remaining, 210.863281 MB of memory in use. ENERGY: 3899600 747.7992 2065.0235 1929.4864 114.9651 -206533.2046 17870.4511 0.0000 0.0000 34228.9668 -149576.5125 298.9301 -183805.4793 -149482.5828 297.6078 -43.8611 -10.5498 555556.4903 6.2658 6.3440 PRESSURE: 3899800 39.0982 -16.42 90.3035 -16.4204 -299.885 -55.6073 90.3037 -55.608 -74.7835 GPRESSURE: 3899800 13.6979 0.873158 94.8265 -43.7261 -155.424 -143.023 76.21 -123.428 -90.3026 PRESSAVG: 3899800 4.41341 -8.0746 22.4741 -8.07467 8.54146 -50.5325 22.4742 -50.5325 -18.0819 GPRESSAVG: 3899800 3.01331 -7.21477 21.8996 -8.90173 8.46813 -49.9065 23.2554 -49.4261 -16.7016 TIMING: 3899800 CPU: 11296.1, 0.00288103/step Wall: 11296.1, 0.00288103/step, 0.880476 hours remaining, 210.863281 MB of memory in use. ENERGY: 3899800 761.2215 1992.0072 1953.9672 118.2242 -206191.6850 17670.6684 0.0000 0.0000 34062.2715 -149633.3250 297.4743 -183695.5965 -149539.2793 298.8591 -111.8568 -77.3430 556063.7419 -1.7090 -1.7401 PRESSURE: 3900000 -26.4605 150.351 -163.472 150.351 67.8301 -53.0813 -163.472 -53.0807 -63.4466 GPRESSURE: 3900000 -4.10382 178.651 -204.782 222.107 109.121 61.5974 -161.941 -57.1377 -22.3018 PRESSAVG: 3900000 -21.2365 32.9386 -70.5706 32.9387 5.6303 -42.7563 -70.5707 -42.7562 -33.2832 GPRESSAVG: 3900000 -20.0044 32.5826 -70.5018 33.5022 5.56388 -44.4478 -69.7976 -41.195 -34.7164 TIMING: 3900000 CPU: 11296.7, 0.00288297/step Wall: 11296.7, 0.00288297/step, 0.880908 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3900000 752.1885 2027.7777 1954.7165 113.5979 -206242.8900 17702.0761 0.0000 0.0000 34102.8824 -149589.6509 297.8290 -183692.5333 -149494.6434 298.0977 -7.3590 27.5718 555867.5185 -16.2965 -16.3856 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 WRITING COORDINATES TO DCD FILE MD.2.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 95.1146 222.411 -28.0214 222.412 -82.4533 148.59 -28.0217 148.588 331.444 GPRESSURE: 3900200 157.939 243.306 31.9159 107.977 -66.3465 101.439 -72.9899 189.155 345.221 PRESSAVG: 3900200 -42.9748 10.0842 -43.8552 10.0841 24.0427 -24.5207 -43.8551 -24.5207 49.7456 GPRESSAVG: 3900200 -43.3002 9.46272 -43.121 9.01409 23.083 -25.5734 -45.4916 -23.8093 50.6168 TIMING: 3900200 CPU: 11297.3, 0.00296479/step Wall: 11297.3, 0.00296479/step, 0.905742 hours remaining, 210.863281 MB of memory in use. ENERGY: 3900200 755.7001 2071.0728 1943.8869 112.7183 -206706.4616 18163.9929 0.0000 0.0000 34013.5137 -149645.5770 297.0485 -183659.0907 -149552.1888 298.7915 114.7019 145.6046 557598.2763 10.2712 10.1332 LDB: ============= START OF LOAD BALANCING ============== 11300.7 LDB: ============== END OF LOAD BALANCING =============== 11300.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11300.7 LDB: ============= START OF LOAD BALANCING ============== 11301 LDB: Largest compute 4773 load 0.022549 is 19.1% of average load 0.117995 LDB: Average compute 0.001722 is 1.5% of average load 0.117995 LDB: TIME 11301 LOAD: AVG 0.117995 MAX 0.179598 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 11301 LOAD: AVG 0.117995 MAX 0.179598 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 11301 LOAD: AVG 0.117995 MAX 0.179598 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: ============== END OF LOAD BALANCING =============== 11301 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11301 PRESSURE: 3900400 406.526 -43.7432 50.9356 -43.7421 239.112 -137.772 50.9359 -137.771 294.472 GPRESSURE: 3900400 365.229 -7.60145 -41.6694 -147.309 278.743 -74.3201 17.3761 -172.402 387.485 PRESSAVG: 3900400 -13.7697 9.98896 -25.3113 9.98894 -7.96685 -22.2497 -25.3112 -22.2497 21.3218 GPRESSAVG: 3900400 -13.6996 9.61692 -28.0811 9.63227 -8.36354 -21.5691 -24.6353 -24.0306 21.8375 TIMING: 3900400 CPU: 11297.9, 0.00293153/step Wall: 11297.9, 0.00293153/step, 0.89542 hours remaining, 210.351562 MB of memory in use. ENERGY: 3900400 734.7720 2050.8065 1928.4264 114.9027 -207177.0213 18349.0204 0.0000 0.0000 34386.2613 -149612.8320 300.3038 -183999.0933 -149512.9594 298.0449 313.3703 343.8191 554467.4076 -0.1383 -0.0752 PRESSURE: 3900600 -136.533 -79.8327 -138.056 -79.8329 -91.0242 63.9953 -138.057 63.9957 87.5115 GPRESSURE: 3900600 -109.425 -93.5722 -46.7618 -83.874 -40.6533 45.1473 -173.441 72.7264 103.178 PRESSAVG: 3900600 0.175342 -0.958516 -25.8353 -0.958485 -1.01889 -25.6193 -25.8353 -25.6194 8.42977 GPRESSAVG: 3900600 1.1598 -0.949127 -23.5976 0.444982 -0.528524 -24.3913 -24.9071 -25.3165 7.51626 TIMING: 3900600 CPU: 11298.5, 0.00287193/step Wall: 11298.5, 0.00287193/step, 0.877055 hours remaining, 210.554688 MB of memory in use. ENERGY: 3900600 755.2810 2028.3276 1955.1727 111.5294 -206651.2093 17911.9650 0.0000 0.0000 34262.7650 -149626.1686 299.2252 -183888.9336 -149524.0916 298.0482 -46.6818 -15.6334 556586.6269 2.5287 2.7158 PRESSURE: 3900800 -179.942 -13.6486 -34.5985 -13.6487 -235.817 -28.8336 -34.5986 -28.8339 -237.386 GPRESSURE: 3900800 -176.425 63.5016 -65.2592 61.1484 -176.262 44.834 -59.536 23.9662 -206.361 PRESSAVG: 3900800 -37.3246 55.6605 -36.4641 55.6605 16.4029 2.61371 -36.4641 2.61377 67.4465 GPRESSAVG: 3900800 -37.5829 58.5148 -35.726 53.8494 16.573 4.24302 -38.0097 2.47896 67.7974 TIMING: 3900800 CPU: 11299, 0.0028689/step Wall: 11299, 0.0028689/step, 0.875971 hours remaining, 210.554688 MB of memory in use. ENERGY: 3900800 786.3447 2026.3345 1955.7298 98.7791 -206098.6803 17637.6432 0.0000 0.0000 34098.2584 -149495.5906 297.7886 -183593.8489 -149395.8610 298.1598 -217.7148 -186.3494 558159.5403 15.5083 15.5958 PRESSURE: 3901000 287.895 90.7115 -99.7166 90.7108 -198.778 76.7943 -99.7142 76.7937 43.3929 GPRESSURE: 3901000 273.955 61.8793 -22.317 61.3305 -108.261 67.8094 -123.707 99.24 69.0221 PRESSAVG: 3901000 21.0496 -5.87666 -22.6849 -5.87669 -32.9262 -9.08319 -22.6848 -9.08312 -14.6033 GPRESSAVG: 3901000 20.4498 -8.31496 -21.2638 -4.62417 -32.2742 -9.91956 -22.4717 -10.3976 -15.0806 TIMING: 3901000 CPU: 11299.6, 0.00289818/step Wall: 11299.6, 0.00289818/step, 0.884751 hours remaining, 210.554688 MB of memory in use. ENERGY: 3901000 698.7932 2115.1513 1955.8291 106.2228 -206284.6986 17899.0119 0.0000 0.0000 34156.5245 -149353.1658 298.2974 -183509.6903 -149255.3858 299.0875 44.1700 78.2386 557256.8593 -8.8266 -8.9683 PRESSURE: 3901200 -26.0297 -158.473 -158.511 -158.473 -33.1606 9.03787 -158.51 9.03941 22.5302 GPRESSURE: 3901200 1.82088 -230.483 -152.337 -5.83735 -18.0115 27.3911 -141.502 -26.7254 71.4078 PRESSAVG: 3901200 94.9633 -39.219 -104.649 -39.219 -10.6305 -34.8098 -104.649 -34.8097 -86.5251 GPRESSAVG: 3901200 95.0892 -38.9696 -107.572 -38.4196 -10.9013 -35.0446 -104.538 -33.5433 -86.4977 TIMING: 3901200 CPU: 11300.2, 0.00288289/step Wall: 11300.2, 0.00288289/step, 0.879922 hours remaining, 210.554688 MB of memory in use. ENERGY: 3901200 737.5574 2082.9779 1962.9704 111.1526 -206414.6656 17891.0967 0.0000 0.0000 34265.7781 -149363.1324 299.2516 -183628.9106 -149263.7942 298.6158 -12.2200 18.4057 557288.0385 -0.7307 -0.7699 PRESSURE: 3901400 -150.793 -26.7392 59.7497 -26.7388 165.485 58.4712 59.7502 58.4722 -40.7613 GPRESSURE: 3901400 -134.459 -2.22174 41.4915 -61.3424 161.693 49.1432 28.0656 -20.2212 41.2874 PRESSAVG: 3901400 -7.34292 16.2107 -19.3962 16.2107 19.4838 -45.8141 -19.3961 -45.8142 -55.7443 GPRESSAVG: 3901400 -6.63687 16.9587 -20.7705 18.0709 18.1858 -46.2978 -20.2073 -48.1009 -55.5288 TIMING: 3901400 CPU: 11300.8, 0.00288739/step Wall: 11300.8, 0.00288739/step, 0.881134 hours remaining, 210.554688 MB of memory in use. ENERGY: 3901400 766.0206 2059.4803 1958.5269 99.3267 -205700.9894 17724.6777 0.0000 0.0000 33969.5573 -149123.4001 296.6646 -183092.9574 -149030.3068 299.0209 -8.6898 22.8403 558298.6062 -14.5345 -14.6599 PRESSURE: 3901600 -158.291 -84.5453 62.7948 -84.5458 -159.929 53.4045 62.7957 53.4055 6.90404 GPRESSURE: 3901600 -73.068 -23.775 78.7724 -52.0288 -153.563 10.7073 110.616 -3.32581 19.0752 PRESSAVG: 3901600 37.4068 -17.1426 9.11154 -17.1427 -3.53422 -35.364 9.1116 -35.3641 13.314 GPRESSAVG: 3901600 36.7988 -17.0237 11.1575 -20.4673 -2.95031 -36.4536 8.47693 -35.1424 13.6075 TIMING: 3901600 CPU: 11301.3, 0.00287191/step Wall: 11301.3, 0.00287191/step, 0.876253 hours remaining, 210.554688 MB of memory in use. ENERGY: 3901600 737.1779 2071.8478 1961.5474 115.0200 -205741.7120 17396.7590 0.0000 0.0000 34189.0630 -149270.2968 298.5816 -183459.3598 -149179.3817 298.8752 -103.7720 -69.1852 557003.5321 15.7289 15.8187 PRESSURE: 3901800 -7.9806 -9.23354 -68.2179 -9.23503 144.561 42.8243 -68.2169 42.8248 -203.48 GPRESSURE: 3901800 56.0927 78.3305 -139.761 -30.0242 173.286 60.0886 -43.1436 -4.54858 -198.437 PRESSAVG: 3901800 38.3336 -36.0947 36.3225 -36.0946 -5.83601 29.0481 36.3226 29.0482 -2.28904 GPRESSAVG: 3901800 37.4093 -37.333 36.23 -33.4401 -5.34726 28.8991 37.3803 31.1798 -1.39487 TIMING: 3901800 CPU: 11301.9, 0.00286686/step Wall: 11301.9, 0.00286686/step, 0.874552 hours remaining, 210.554688 MB of memory in use. ENERGY: 3901800 734.3654 2124.4444 1971.2201 116.3055 -205976.4289 17745.9179 0.0000 0.0000 34107.7787 -149176.3968 297.8717 -183284.1755 -149082.1071 298.3704 -22.2999 10.3140 557404.4478 10.0695 10.2224 PRESSURE: 3902000 166.987 143.337 4.01913 143.336 -102.461 -34.3577 4.01869 -34.3582 -318.418 GPRESSURE: 3902000 206.109 38.2216 -27.6736 210.03 -58.8349 -107.921 86.4216 13.2594 -315.809 PRESSAVG: 3902000 59.1283 -33.1137 3.51531 -33.1137 -53.9001 -30.6278 3.51531 -30.6278 21.9297 GPRESSAVG: 3902000 60.0221 -32.9293 4.30049 -34.1344 -53.0887 -30.8659 5.59022 -31.9288 19.5927 TIMING: 3902000 CPU: 11302.5, 0.00287945/step Wall: 11302.5, 0.00287945/step, 0.878231 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3902000 769.8390 2083.0870 1954.2074 112.8016 -205707.7602 17614.5418 0.0000 0.0000 34101.0202 -149072.2632 297.8127 -183173.2834 -148971.1544 299.0002 -84.6309 -56.1784 558094.1979 9.0526 8.8420 PRESSURE: 3902200 5.15598 28.1952 -90.7948 28.1949 -138.087 -2.26287 -90.794 -2.26241 -86.3383 GPRESSURE: 3902200 66.7107 13.0043 -75.674 57.8874 -52.435 16.8946 -164.67 -54.534 -140.595 PRESSAVG: 3902200 67.3906 -54.1622 -3.03956 -54.1622 -10.214 -26.451 -3.03949 -26.451 -49.9035 GPRESSAVG: 3902200 67.7488 -55.5001 -1.44328 -54.7468 -11.5191 -25.9943 -6.52511 -26.0853 -48.9068 TIMING: 3902200 CPU: 11303.1, 0.00289315/step Wall: 11303.1, 0.00289315/step, 0.882249 hours remaining, 210.554688 MB of memory in use. ENERGY: 3902200 712.9818 2169.3087 1959.1672 117.0097 -205897.1618 17600.2868 0.0000 0.0000 34354.4264 -148983.9813 300.0258 -183338.4077 -148893.6052 299.4504 -73.0896 -42.1066 557508.1469 2.4244 2.4410 PRESSURE: 3902400 308.014 -84.5996 140.824 -84.6007 160.693 -86.022 140.825 -86.02 87.0974 GPRESSURE: 3902400 335.117 -124.829 58.6273 -5.97125 171.454 0.26578 50.825 -114.311 156.593 PRESSAVG: 3902400 26.8676 -29.0597 11.2108 -29.0597 -4.45433 50.9874 11.2107 50.9875 -6.68768 GPRESSAVG: 3902400 26.1395 -27.1583 8.41113 -27.5646 -3.43234 51.9133 12.6096 48.8631 -7.18519 TIMING: 3902400 CPU: 11303.6, 0.00287105/step Wall: 11303.6, 0.00287105/step, 0.875352 hours remaining, 210.554688 MB of memory in use. ENERGY: 3902400 748.8766 2088.0658 1996.7042 119.9209 -206377.2304 18122.6533 0.0000 0.0000 34185.0215 -149115.9879 298.5463 -183301.0095 -149017.8744 299.6521 185.2683 221.0545 557008.3409 5.2419 5.1740 PRESSURE: 3902600 -71.8266 -98.8794 44.7104 -98.8797 189.901 -6.57214 44.7108 -6.57181 -23.5583 GPRESSURE: 3902600 -42.1012 -152.279 101.144 -97.2677 235.943 -8.80419 17.9768 -25.4439 12.7034 PRESSAVG: 3902600 10.2841 -55.0183 15.7981 -55.0183 37.8419 -9.8034 15.7981 -9.8034 12.1226 GPRESSAVG: 3902600 10.6268 -57.4905 17.9283 -55.9173 36.8775 -11.8517 15.9357 -6.29664 12.5488 TIMING: 3902600 CPU: 11304.2, 0.00286845/step Wall: 11304.2, 0.00286845/step, 0.8744 hours remaining, 210.554688 MB of memory in use. ENERGY: 3902600 773.0025 2021.4363 1965.9813 112.5161 -206263.2762 17914.8678 0.0000 0.0000 34255.7571 -149219.7150 299.1640 -183475.4721 -149121.2084 299.7059 31.5054 68.8485 556645.3031 20.0829 20.0177 PRESSURE: 3902800 249.631 15.3695 -76.8799 15.3702 37.9988 49.5799 -76.8804 49.5807 189.97 GPRESSURE: 3902800 348.029 104.351 -153.3 -39.7934 -7.74148 13.3461 -11.9437 91.1221 229.734 PRESSAVG: 3902800 -40.9469 -55.5048 23.8254 -55.5048 -6.87259 12.9377 23.8253 12.9376 31.4231 GPRESSAVG: 3902800 -40.8577 -53.6428 23.2111 -53.9748 -6.25423 14.3537 24.9388 12.0864 30.4469 TIMING: 3902800 CPU: 11304.8, 0.00288452/step Wall: 11304.8, 0.00288452/step, 0.879137 hours remaining, 210.554688 MB of memory in use. ENERGY: 3902800 752.6484 2054.5581 1939.6589 102.0283 -206137.2685 17910.3805 0.0000 0.0000 34314.8763 -149063.1179 299.6803 -183377.9943 -148969.3248 299.5321 159.1998 190.0071 556468.8634 -5.4655 -5.5550 PRESSURE: 3903000 -22.1898 -2.06585 92.0313 -2.06568 -123.487 -7.87037 92.0311 -7.86773 237.504 GPRESSURE: 3903000 -3.66165 -79.9347 29.7746 52.8868 -56.1577 -34.3455 156.907 27.3599 258.141 PRESSAVG: 3903000 47.1728 14.6489 39.2777 14.6487 -31.8045 -67.825 39.2776 -67.825 17.3392 GPRESSAVG: 3903000 46.0225 12.3341 38.939 14.7168 -32.04 -68.9704 39.302 -68.1758 18.8697 TIMING: 3903000 CPU: 11305.4, 0.00287489/step Wall: 11305.4, 0.00287489/step, 0.876043 hours remaining, 210.554688 MB of memory in use. ENERGY: 3903000 754.0752 2094.4060 1928.9004 123.5694 -206177.7273 17858.3555 0.0000 0.0000 34390.9591 -149027.4617 300.3448 -183418.4208 -148929.2029 299.9312 30.6091 66.1072 557156.0187 10.9025 10.9507 PRESSURE: 3903200 -68.5708 -99.182 37.1124 -99.1828 -85.6869 -38.3312 37.1113 -38.3312 -33.6808 GPRESSURE: 3903200 -15.2888 -216.297 86.3744 -24.6255 -43.1282 -97.0543 -60.0848 -26.9063 -24.3713 PRESSAVG: 3903200 24.3139 -34.6454 54.0051 -34.6455 -8.8472 24.0548 54.005 24.0548 -34.9464 GPRESSAVG: 3903200 24.2361 -33.3336 55.21 -34.919 -7.20296 24.8734 53.6477 25.172 -36.6572 TIMING: 3903200 CPU: 11305.9, 0.00288172/step Wall: 11305.9, 0.00288172/step, 0.877965 hours remaining, 210.554688 MB of memory in use. ENERGY: 3903200 769.4838 2089.9314 1967.2864 134.8945 -206183.3513 17849.4937 0.0000 0.0000 34303.1043 -149069.1572 299.5775 -183372.2615 -148974.8386 299.8820 -62.6462 -27.5961 557292.6546 -6.4933 -6.5414 PRESSURE: 3903400 7.05963 -233.318 75.2479 -233.319 -117.028 107.888 75.2487 107.887 -206.668 GPRESSURE: 3903400 -14.9652 -290.887 52.6855 -199.243 -69.7886 139.103 57.4383 17.2055 -129.605 PRESSAVG: 3903400 19.3492 -91.9029 38.0949 -91.9028 -33.9457 6.66762 38.0949 6.66758 -28.1617 GPRESSAVG: 3903400 19.307 -91.155 36.6848 -95.2833 -35.7641 8.23337 40.3642 3.47414 -25.8589 TIMING: 3903400 CPU: 11306.5, 0.00288866/step Wall: 11306.5, 0.00288866/step, 0.879918 hours remaining, 210.554688 MB of memory in use. ENERGY: 3903400 732.8413 2104.1559 1941.4511 128.8799 -205970.9435 17636.1047 0.0000 0.0000 34384.8564 -149042.6542 300.2915 -183427.5107 -148941.5118 299.7926 -105.5456 -71.4529 559231.6669 -14.2527 -14.1053 PRESSURE: 3903600 254.756 -52.0064 26.0235 -52.0063 -117.639 -155.998 26.0234 -155.997 -198.721 GPRESSURE: 3903600 337.406 -101.484 10.8504 -50.8664 -125.378 -115.96 -64.9917 -219.514 -180.381 PRESSAVG: 3903600 28.0201 -52.658 -7.6927 -52.658 -3.57413 8.62422 -7.69283 8.62423 -17.7201 GPRESSAVG: 3903600 29.0585 -53.2335 -7.25597 -52.8489 -2.5778 5.8029 -10.4217 10.0995 -19.5893 TIMING: 3903600 CPU: 11307.1, 0.0028903/step Wall: 11307.1, 0.0028903/step, 0.880256 hours remaining, 210.554688 MB of memory in use. ENERGY: 3903600 747.6356 2086.4812 1975.1338 107.1276 -206181.1391 17993.4285 0.0000 0.0000 34113.4543 -149157.8781 297.9213 -183271.3323 -149065.4960 299.1678 -20.5350 10.5488 558756.1318 2.2420 2.2971 PRESSURE: 3903800 -20.6037 -179.328 26.0887 -179.326 91.03 17.263 26.0886 17.263 -10.9954 GPRESSURE: 3903800 -25.1426 -151.638 63.8439 -186.926 145.794 -71.2332 0.675601 -13.041 40.1575 PRESSAVG: 3903800 33.7904 -63.8188 -4.57136 -63.8187 -19.3793 11.7287 -4.57142 11.7286 -46.5133 GPRESSAVG: 3903800 33.362 -62.675 -3.00248 -62.4695 -19.7776 12.0181 -5.62348 12.3897 -45.2139 TIMING: 3903800 CPU: 11307.7, 0.00286763/step Wall: 11307.7, 0.00286763/step, 0.873195 hours remaining, 210.554688 MB of memory in use. ENERGY: 3903800 703.5747 2134.9288 1930.6175 109.8925 -206028.0550 17674.2859 0.0000 0.0000 34403.9376 -149070.8180 300.4581 -183474.7556 -148974.0038 299.5757 19.8103 53.6031 556825.7256 -10.7007 -10.5432 PRESSURE: 3904000 48.7141 -74.6065 -34.6922 -74.6061 -201.272 -32.7961 -34.6925 -32.796 -59.121 GPRESSURE: 3904000 38.1357 -194.715 -32.847 58.0693 -129.334 -54.4852 8.47641 27.666 -27.8613 PRESSAVG: 3904000 17.0267 -4.81741 18.2604 -4.81742 -59.9983 20.3504 18.2605 20.3505 32.5367 GPRESSAVG: 3904000 17.5339 -5.13244 15.4636 -4.00177 -59.972 20.8307 21.1485 21.9326 32.2559 TIMING: 3904000 CPU: 11308.2, 0.00287566/step Wall: 11308.2, 0.00287566/step, 0.875479 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3904000 711.7384 2062.9125 1943.2736 117.3372 -205471.9966 17410.9398 0.0000 0.0000 34409.9140 -148815.8811 300.5103 -183225.7951 -148720.7147 300.2399 -70.5596 -39.6867 557150.1118 -3.4783 -3.3940 PRESSURE: 3904200 -91.3517 179.163 -47.8237 179.163 296.935 102.497 -47.8246 102.497 146.814 GPRESSURE: 3904200 -77.1394 118.803 -124.873 143.804 313.907 48.1207 -49.8897 119.5 212.498 PRESSAVG: 3904200 35.1685 19.67 -17.093 19.6701 15.7034 -24.3326 -17.093 -24.3326 2.75953 GPRESSAVG: 3904200 35.4942 18.7993 -16.8116 18.8664 15.8877 -22.0774 -17.2406 -27.2762 1.71951 TIMING: 3904200 CPU: 11308.8, 0.00287643/step Wall: 11308.8, 0.00287643/step, 0.875553 hours remaining, 210.554688 MB of memory in use. ENERGY: 3904200 746.3289 2097.9196 1924.2913 111.5017 -206034.5523 17808.8860 0.0000 0.0000 34384.7202 -148960.9046 300.2903 -183345.6248 -148863.2861 300.2008 117.4659 149.7553 557042.2816 17.8771 17.7005 LDB: ============= START OF LOAD BALANCING ============== 11312.2 LDB: ============== END OF LOAD BALANCING =============== 11312.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11312.2 LDB: ============= START OF LOAD BALANCING ============== 11312.5 LDB: Largest compute 4792 load 0.024079 is 20.4% of average load 0.118071 LDB: Average compute 0.001717 is 1.5% of average load 0.118071 LDB: TIME 11312.5 LOAD: AVG 0.118071 MAX 0.180556 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 11312.5 LOAD: AVG 0.118071 MAX 0.180556 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.062 MB LDB: TIME 11312.5 LOAD: AVG 0.118071 MAX 0.180556 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.062 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11312.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11312.5 PRESSURE: 3904400 -120.401 -77.3363 14.3625 -77.3355 -295.511 34.2734 14.3625 34.2749 -156.571 GPRESSURE: 3904400 -100.103 -31.3345 10.4338 -50.5074 -235.734 20.2723 27.2349 22.5117 -122.848 PRESSAVG: 3904400 -28.535 10.2206 -12.7369 10.2207 14.3512 -55.6603 -12.7369 -55.6602 17.9373 GPRESSAVG: 3904400 -29.0643 11.5907 -14.8865 10.8948 14.3742 -58.6833 -11.5925 -53.016 18.3651 TIMING: 3904400 CPU: 11309.4, 0.0029282/step Wall: 11309.4, 0.0029282/step, 0.89115 hours remaining, 210.351562 MB of memory in use. ENERGY: 3904400 724.5418 2103.2579 1944.6879 99.4533 -205659.0450 17459.5024 0.0000 0.0000 34258.4846 -149069.1172 299.1879 -183327.6018 -148974.6472 299.0724 -190.8277 -152.8948 558008.9852 1.2512 1.2250 PRESSURE: 3904600 106.01 121.553 12.6513 121.552 131.184 119.068 12.6513 119.065 -46.4407 GPRESSURE: 3904600 164.327 76.0103 61.9551 131.133 128.05 112.043 -20.9019 84.1625 -7.37257 PRESSAVG: 3904600 -32.0597 19.431 -15.234 19.431 16.7956 -47.4923 -15.234 -47.4924 0.680963 GPRESSAVG: 3904600 -33.0697 18.817 -10.7131 19.2788 16.6444 -44.6533 -15.8195 -51.2457 1.22365 TIMING: 3904600 CPU: 11310, 0.00285903/step Wall: 11310, 0.00285903/step, 0.869938 hours remaining, 210.351562 MB of memory in use. ENERGY: 3904600 720.9845 2092.0683 1921.4192 108.4544 -206280.5752 17901.1973 0.0000 0.0000 34456.8027 -149079.6488 300.9198 -183536.4515 -148989.3332 299.0726 63.5845 95.0013 558197.1219 -4.8610 -5.0672 PRESSURE: 3904800 -88.116 -51.3512 -16.6174 -51.3503 59.6593 -48.5068 -16.6161 -48.505 -62.7642 GPRESSURE: 3904800 -20.0242 -16.3853 -147.14 -56.1768 55.4649 -34.3778 48.1532 -25.6081 -24.9675 PRESSAVG: 3904800 -13.1503 -1.10745 59.2493 -1.10743 65.5113 -30.2085 59.2495 -30.2085 -6.9512 GPRESSAVG: 3904800 -12.1901 -1.42958 59.2496 -1.9658 66.4217 -32.2063 57.3609 -28.7468 -8.23408 TIMING: 3904800 CPU: 11310.6, 0.00286721/step Wall: 11310.6, 0.00286721/step, 0.87227 hours remaining, 210.351562 MB of memory in use. ENERGY: 3904800 741.3208 2097.4526 1942.7945 125.7557 -205859.6341 17588.1732 0.0000 0.0000 34192.6643 -149171.4730 298.6130 -183364.1373 -149076.7604 299.1534 -30.4070 3.4910 557648.6210 15.1366 15.3325 PRESSURE: 3905000 -119.884 -11.8652 7.03435 -11.8651 110.531 12.9474 7.03461 12.9481 5.90527 GPRESSURE: 3905000 -120.251 17.2082 14.2042 -6.3432 202.908 40.7267 13.2775 -69.7863 6.45792 PRESSAVG: 3905000 -21.9182 17.2549 15.5987 17.255 2.8697 6.42357 15.5986 6.42344 25.1413 GPRESSAVG: 3905000 -22.8384 16.2127 15.8189 18.0914 2.543 8.6179 15.5738 4.67707 25.8765 TIMING: 3905000 CPU: 11311.1, 0.0028815/step Wall: 11311.1, 0.0028815/step, 0.876455 hours remaining, 210.351562 MB of memory in use. ENERGY: 3905000 772.6821 2072.3317 1928.0378 126.3657 -205758.3416 17649.1782 0.0000 0.0000 34104.6435 -149105.1026 297.8443 -183209.7461 -149012.3154 299.6161 -1.1493 29.7049 557811.5127 2.0309 1.8604 PRESSURE: 3905200 -38.3589 -22.9149 -59.5217 -22.9154 -129.74 -53.1746 -59.5218 -53.1746 -178.209 GPRESSURE: 3905200 -32.0601 -43.0582 -87.8779 -87.267 -65.2343 67.6018 -21.4514 -106 -148.588 PRESSAVG: 3905200 -82.1281 -22.0274 25.8919 -22.0274 43.7895 -14.4672 25.892 -14.4672 29.9256 GPRESSAVG: 3905200 -82.618 -20.0222 23.8683 -25.2645 43.838 -14.3622 25.916 -12.4064 30.6187 TIMING: 3905200 CPU: 11311.7, 0.00286068/step Wall: 11311.7, 0.00286068/step, 0.869965 hours remaining, 210.351562 MB of memory in use. ENERGY: 3905200 741.0211 2132.8897 1937.0067 122.3696 -205875.8591 17601.8834 0.0000 0.0000 34372.8267 -148967.8619 300.1864 -183340.6886 -148869.6301 299.4621 -115.4359 -81.9607 558734.1728 -2.8044 -2.7205 PRESSURE: 3905400 -13.2941 77.0044 -15.0575 77.0027 120.61 35.2681 -15.057 35.2695 -202.455 GPRESSURE: 3905400 8.85401 116.737 8.94057 -13.3917 187.353 69.2256 -37.9966 32.5577 -200.62 PRESSAVG: 3905400 6.31882 18.6224 -41.5017 18.6224 13.6787 22.2982 -41.5017 22.2982 -43.8286 GPRESSAVG: 3905400 7.34737 17.7934 -39.3177 20.9774 13.6436 21.4634 -41.9188 22.0516 -45.1812 TIMING: 3905400 CPU: 11312.3, 0.00288052/step Wall: 11312.3, 0.00288052/step, 0.875837 hours remaining, 210.351562 MB of memory in use. ENERGY: 3905400 770.2944 2093.5611 1962.1717 107.1850 -206023.4471 17687.3939 0.0000 0.0000 34337.7152 -149065.1258 299.8798 -183402.8410 -148961.0478 299.0467 -31.7133 -1.4708 557752.0264 -7.9437 -8.0634 PRESSURE: 3905600 -239.568 -77.6442 65.3202 -77.6434 -171.284 54.7266 65.3209 54.7249 -302.154 GPRESSURE: 3905600 -228.96 -118.339 25.662 -30.6519 -141.194 41.2395 61.272 71.0539 -254.342 PRESSAVG: 3905600 -23.9537 0.924384 -10.5495 0.924474 43.6247 8.97651 -10.5496 8.9763 -28.197 GPRESSAVG: 3905600 -23.4968 -0.188753 -12.1048 1.64915 43.118 7.85087 -9.80383 10.9987 -27.9092 TIMING: 3905600 CPU: 11312.9, 0.00288362/step Wall: 11312.9, 0.00288362/step, 0.87662 hours remaining, 210.351562 MB of memory in use. ENERGY: 3905600 756.9546 2118.4525 1960.8260 102.7459 -205905.4381 17537.9426 0.0000 0.0000 34363.8721 -149064.6444 300.1082 -183428.5165 -148976.3824 299.5270 -237.6689 -208.1654 557961.3589 -2.8420 -2.7627 PRESSURE: 3905800 12.7041 -2.94637 81.7485 -2.94678 -269.1 72.7385 81.7479 72.7388 -197.877 GPRESSURE: 3905800 -2.52248 -3.84012 48.718 53.9755 -129.753 93.6613 50.7406 112.692 -228.032 PRESSAVG: 3905800 -17.5493 28.9467 8.93439 28.9467 -29.5515 -26.2475 8.93439 -26.2474 54.0128 GPRESSAVG: 3905800 -18.6001 30.4914 7.76327 28.0112 -28.6365 -25.5348 8.95145 -27.9933 53.9249 TIMING: 3905800 CPU: 11313.4, 0.00288429/step Wall: 11313.4, 0.00288429/step, 0.876664 hours remaining, 210.351562 MB of memory in use. ENERGY: 3905800 746.9338 2119.0594 1926.3604 103.8341 -206105.7362 17721.9284 0.0000 0.0000 34295.0752 -149192.5449 299.5074 -183487.6201 -149099.7890 299.6159 -151.4245 -120.1024 558362.8444 2.3040 2.2294 PRESSURE: 3906000 -84.1958 170.427 -164.325 170.428 -22.5322 64.086 -164.326 64.0859 20.3264 GPRESSURE: 3906000 -98.0127 47.2155 -174.258 208.557 22.5318 91.9253 -160.631 -39.5888 68.74 PRESSAVG: 3906000 -40.0551 17.5937 -53.1406 17.5938 -38.8019 -36.1255 -53.1407 -36.1254 16.0196 GPRESSAVG: 3906000 -39.9942 17.841 -50.8952 19.7731 -38.566 -35.2041 -53.4506 -37.3313 15.4281 TIMING: 3906000 CPU: 11314, 0.00288356/step Wall: 11314, 0.00288356/step, 0.876283 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3906000 769.0799 2110.6726 1924.8114 116.4767 -206384.1952 17949.4393 0.0000 0.0000 34352.4072 -149161.3080 300.0081 -183513.7152 -149061.7505 299.2801 -28.8005 -2.2470 559046.0601 -20.9458 -21.0441 PRESSURE: 3906200 16.6201 56.9103 -7.2075 56.9091 94.0469 27.6803 -7.20656 27.6796 118.265 GPRESSURE: 3906200 82.2206 -23.5933 -41.8782 31.9795 82.6788 -6.13493 -11.2857 -50.7597 156.708 PRESSAVG: 3906200 -75.993 8.2894 -7.73217 8.28941 39.4106 -34.2225 -7.73213 -34.2224 4.01865 GPRESSAVG: 3906200 -74.9448 6.5374 -9.75489 8.09395 37.897 -36.9348 -8.24723 -32.5518 4.95239 TIMING: 3906200 CPU: 11314.6, 0.00287322/step Wall: 11314.6, 0.00287322/step, 0.872981 hours remaining, 210.351562 MB of memory in use. ENERGY: 3906200 770.0870 2051.7329 1946.2776 122.2326 -206445.1082 18203.4081 0.0000 0.0000 34148.3980 -149202.9720 298.2265 -183351.3700 -149105.9492 299.7879 76.3105 107.2026 557401.6260 -10.8546 -10.6985 PRESSURE: 3906400 -214.479 19.9143 -42.9434 19.9161 -154.333 21.6713 -42.9431 21.6721 -305.73 GPRESSURE: 3906400 -155.437 131.752 85.2666 -69.855 -114.355 65.6848 -53.7462 32.0442 -301.361 PRESSAVG: 3906400 -30.9022 -15.6899 -42.5292 -15.69 -28.8719 18.6433 -42.5292 18.6434 59.9446 GPRESSAVG: 3906400 -31.8247 -15.1121 -42.0308 -19.0731 -28.7297 21.1 -42.0443 18.7828 60.8484 TIMING: 3906400 CPU: 11315.2, 0.00287034/step Wall: 11315.2, 0.00287034/step, 0.871945 hours remaining, 210.351562 MB of memory in use. ENERGY: 3906400 743.0769 2072.3899 1934.8515 100.9038 -205815.2582 17452.3975 0.0000 0.0000 34253.9485 -149257.6900 299.1483 -183511.6385 -149154.0132 299.1240 -224.8471 -190.3843 558289.4402 0.0568 0.0980 PRESSURE: 3906600 54.8609 87.6698 -29.3304 87.6704 -83.3637 232.191 -29.3321 232.192 62.812 GPRESSURE: 3906600 97.6219 -5.32827 -35.1634 225.92 -71.7099 251.617 29.4041 285.438 98.918 PRESSAVG: 3906600 2.7936 0.421328 -24.579 0.421213 -31.1961 1.91573 -24.579 1.91573 30.836 GPRESSAVG: 3906600 2.82892 1.25701 -24.3822 2.28577 -31.662 2.11476 -24.1466 2.02959 31.2214 TIMING: 3906600 CPU: 11315.7, 0.00285934/step Wall: 11315.7, 0.00285934/step, 0.868445 hours remaining, 210.351562 MB of memory in use. ENERGY: 3906600 706.6367 2060.2833 1977.2061 108.6699 -206021.6735 17647.7958 0.0000 0.0000 34290.2076 -149230.8742 299.4649 -183521.0818 -149131.9698 299.4720 11.4364 41.6100 556943.8694 0.8112 0.7961 PRESSURE: 3906800 34.3929 7.34235 155.624 7.34331 -24.9937 -57.2182 155.624 -57.218 -176.48 GPRESSURE: 3906800 71.9113 38.3969 135.575 -38.7997 11.1231 -43.9461 259.23 -117.062 -139.841 PRESSAVG: 3906800 82.9109 -14.1296 -17.9694 -14.1296 -70.5182 16.1856 -17.9693 16.1858 -39.8139 GPRESSAVG: 3906800 82.5853 -14.7155 -19.0119 -14.784 -68.5754 14.624 -16.4114 16.4512 -41.4759 TIMING: 3906800 CPU: 11316.3, 0.00285932/step Wall: 11316.3, 0.00285932/step, 0.868281 hours remaining, 210.351562 MB of memory in use. ENERGY: 3906800 729.5475 2109.5236 1950.8202 116.4877 -206083.7878 17777.5317 0.0000 0.0000 34286.3033 -149113.5737 299.4308 -183399.8770 -149016.7189 299.7461 -55.6935 -18.9357 557495.5353 -9.1404 -9.1553 PRESSURE: 3907000 -48.5207 140.038 -11.6872 140.038 127.511 -18.3948 -11.6875 -18.3951 23.1305 GPRESSURE: 3907000 16.0556 151.43 44.3344 159.654 107.014 38.2776 -26.0347 -73.5365 76.8706 PRESSAVG: 3907000 38.8048 -28.7467 9.76151 -28.7466 10.9724 -8.36676 9.76157 -8.3667 -41.9442 GPRESSAVG: 3907000 38.8739 -27.3699 11.2285 -27.6541 10.0911 -5.45842 9.0316 -9.46905 -41.1272 TIMING: 3907000 CPU: 11316.9, 0.00287398/step Wall: 11316.9, 0.00287398/step, 0.872571 hours remaining, 210.351562 MB of memory in use. ENERGY: 3907000 777.5179 2138.5922 1928.7437 115.8701 -206294.1935 17841.1291 0.0000 0.0000 34283.3003 -149209.0402 299.4046 -183492.3405 -149114.3949 299.3616 34.0403 66.6466 555492.9701 2.6110 2.6126 PRESSURE: 3907200 10.9298 -62.9681 199.54 -62.9672 3.06019 -35.5001 199.541 -35.5016 41.87 GPRESSURE: 3907200 -9.02244 -65.99 178.236 39.879 28.0025 71.7609 210.643 -3.35765 129.091 PRESSAVG: 3907200 -50.6727 0.443888 47.3774 0.443874 38.3677 31.6118 47.3774 31.6117 34.1598 GPRESSAVG: 3907200 -51.1084 -0.670359 49.3543 -1.82144 38.895 29.4021 44.6222 31.535 34.0415 TIMING: 3907200 CPU: 11317.5, 0.00287742/step Wall: 11317.5, 0.00287742/step, 0.873458 hours remaining, 210.351562 MB of memory in use. ENERGY: 3907200 741.0400 2069.6867 1906.8108 100.1424 -206227.8385 17811.2286 0.0000 0.0000 34332.1819 -149266.7481 299.8315 -183598.9299 -149167.4241 299.7888 18.6200 49.3570 556058.7814 7.2849 7.2760 PRESSURE: 3907400 21.2118 -117.332 71.3985 -117.332 -229.545 1.6878 71.3993 1.68687 190.744 GPRESSURE: 3907400 89.7991 -113.417 150.419 -146.703 -191.248 -31.5413 26.0806 13.5815 181.918 PRESSAVG: 3907400 -8.12956 20.0357 -13.8921 20.0357 64.5262 1.8575 -13.8919 1.85754 -46.7636 GPRESSAVG: 3907400 -7.05764 20.0992 -17.8782 20.9551 63.0411 1.68855 -10.8837 2.3077 -46.6227 TIMING: 3907400 CPU: 11318, 0.00284808/step Wall: 11318, 0.00284808/step, 0.864392 hours remaining, 210.351562 MB of memory in use. ENERGY: 3907400 736.0443 2077.8460 1948.5281 115.8027 -205583.8432 17421.4639 0.0000 0.0000 34236.3146 -149047.8435 298.9943 -183284.1581 -148962.5681 299.6701 -5.8629 26.8232 557153.3677 3.2110 3.1202 PRESSURE: 3907600 -208.972 9.90547 10.8206 9.90672 -1.58922 86.5867 10.8209 86.588 40.9955 GPRESSURE: 3907600 -189.621 22.593 11.6566 29.3297 75.9962 144.417 62.5972 34.7091 51.9366 PRESSAVG: 3907600 2.38776 12.3146 -5.303 12.3145 3.48001 -15.5611 -5.30288 -15.561 12.444 GPRESSAVG: 3907600 1.34897 12.36 -3.25981 12.995 4.2659 -14.3408 -6.89062 -15.8908 12.6578 TIMING: 3907600 CPU: 11318.6, 0.00285529/step Wall: 11318.6, 0.00285529/step, 0.866422 hours remaining, 210.351562 MB of memory in use. ENERGY: 3907600 756.6238 2085.5944 1943.2248 124.8837 -205987.9409 17603.4691 0.0000 0.0000 34461.6104 -149012.5346 300.9618 -183474.1450 -148920.8076 299.3277 -56.5219 -20.5629 556452.4834 6.1039 6.0909 PRESSURE: 3907800 -296.063 -111.35 243.325 -111.35 -239.929 -3.90511 243.325 -3.90467 -287.029 GPRESSURE: 3907800 -240.04 -152.661 234.469 -90.3261 -233.241 0.068873 182.021 -6.01757 -255.513 PRESSAVG: 3907800 -12.2463 -21.7245 28.6317 -21.7247 25.6431 20.9695 28.6317 20.9696 25.2314 GPRESSAVG: 3907800 -11.7806 -20.8379 29.1583 -22.6389 24.062 21.2336 30.379 22.6081 26.0628 TIMING: 3907800 CPU: 11319.2, 0.00286944/step Wall: 11319.2, 0.00286944/step, 0.870557 hours remaining, 210.351562 MB of memory in use. ENERGY: 3907800 749.6409 2063.6756 1957.0063 112.8495 -205557.9942 17357.4052 0.0000 0.0000 34219.4086 -149098.0082 298.8466 -183317.4168 -149004.2000 299.9033 -274.3405 -242.9313 557946.0124 12.8761 12.7814 PRESSURE: 3908000 -86.7722 -94.0271 -113.274 -94.026 -14.8541 104.91 -113.274 104.909 45.4832 GPRESSURE: 3908000 -93.6575 -124.453 -23.5093 -47.7153 25.8823 110.63 -182.385 68.8796 105.425 PRESSAVG: 3908000 -6.87144 -30.7488 34.1501 -30.7487 7.13315 25.8693 34.1501 25.8693 36.7779 GPRESSAVG: 3908000 -7.5025 -32.3285 32.6456 -29.3586 8.10362 25.7046 32.7047 24.1644 36.6746 TIMING: 3908000 CPU: 11319.7, 0.00287525/step Wall: 11319.7, 0.00287525/step, 0.87216 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3908000 760.5822 2051.9100 1960.5145 103.1064 -206028.8625 17890.5193 0.0000 0.0000 34173.7808 -149088.4493 298.4481 -183262.2301 -148987.1061 299.8559 -18.7144 12.5499 558349.0749 12.3465 12.4252 PRESSURE: 3908200 -30.6381 53.5763 22.2288 53.5762 -175.345 141.667 22.2292 141.666 -4.70492 GPRESSURE: 3908200 -1.91078 130.2 67.2475 85.8065 -156.978 246.065 -3.23328 99.7711 47.7219 PRESSAVG: 3908200 -39.8164 -4.11928 -11.1628 -4.11932 12.1846 66.549 -11.1628 66.549 6.01795 GPRESSAVG: 3908200 -38.1054 -5.29975 -12.0291 -3.4462 10.9797 65.3932 -8.52907 66.7519 5.90529 TIMING: 3908200 CPU: 11320.3, 0.00287934/step Wall: 11320.3, 0.00287934/step, 0.87324 hours remaining, 210.351562 MB of memory in use. ENERGY: 3908200 772.6590 2081.8823 1930.1407 105.9812 -206141.9448 17767.0361 0.0000 0.0000 34363.7061 -149120.5394 300.1068 -183484.2455 -149028.3276 299.6689 -70.2293 -37.0556 557359.8096 -7.2046 -7.0735 LDB: ============= START OF LOAD BALANCING ============== 11323.7 LDB: ============== END OF LOAD BALANCING =============== 11323.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11323.7 LDB: ============= START OF LOAD BALANCING ============== 11324 LDB: Largest compute 4792 load 0.023567 is 20.0% of average load 0.118108 LDB: Average compute 0.001723 is 1.5% of average load 0.118108 LDB: TIME 11324 LOAD: AVG 0.118108 MAX 0.180951 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 11324 LOAD: AVG 0.118108 MAX 0.180951 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.875 MB LDB: TIME 11324 LOAD: AVG 0.118108 MAX 0.180951 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11324 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11324 PRESSURE: 3908400 -47.4968 -28.0327 160.42 -28.0332 -83.6089 -40.02 160.418 -40.0213 -151.672 GPRESSURE: 3908400 -46.3188 -26.4014 159.93 47.8476 -36.9258 -84.604 106.084 46.1017 -109.661 PRESSAVG: 3908400 41.536 -25.2652 85.6285 -25.2652 -26.6347 71.9414 85.6285 71.9414 28.8098 GPRESSAVG: 3908400 40.4521 -22.7318 86.0008 -26.6237 -24.9744 70.9776 83.3097 71.6957 28.216 TIMING: 3908400 CPU: 11320.9, 0.00293703/step Wall: 11320.9, 0.00293703/step, 0.890572 hours remaining, 211.953125 MB of memory in use. ENERGY: 3908400 760.3451 2073.2645 1972.1886 102.2958 -206132.0509 17818.2796 0.0000 0.0000 34246.5157 -149159.1616 299.0833 -183405.6773 -149060.8734 300.0144 -94.2592 -64.3019 556624.8683 14.5703 14.5646 PRESSURE: 3908600 298.461 34.048 47.2626 34.0482 149.049 30.6122 47.2632 30.6114 -27.2465 GPRESSURE: 3908600 311.575 -19.5154 91.2328 17.5094 167.28 -0.00599442 46.2047 29.8616 45.4982 PRESSAVG: 3908600 -3.8619 -4.82198 13.4305 -4.82205 34.5768 -26.3469 13.4304 -26.347 11.3756 GPRESSAVG: 3908600 -3.68624 -5.48663 15.1469 -3.53142 33.4655 -24.0735 11.8206 -26.2914 12.1701 TIMING: 3908600 CPU: 11321.5, 0.00288584/step Wall: 11321.5, 0.00288584/step, 0.874891 hours remaining, 211.953125 MB of memory in use. ENERGY: 3908600 725.7946 2120.3129 1940.6133 109.7459 -206656.8460 18119.8788 0.0000 0.0000 34408.9856 -149231.5150 300.5022 -183640.5006 -149138.4813 299.6852 140.0878 174.7846 555662.1763 14.0302 13.9831 PRESSURE: 3908800 -271.232 -76.4415 81.4393 -76.4421 141.755 51.7599 81.4395 51.76 -5.43403 GPRESSURE: 3908800 -240.838 -69.659 38.9875 -175.191 188.307 76.5487 44.4579 5.14246 19.7678 PRESSAVG: 3908800 15.0306 -37.3078 -2.41227 -37.3078 -3.79553 18.9099 -2.41224 18.9099 -21.7183 GPRESSAVG: 3908800 16.6268 -38.9546 -3.22336 -36.604 -5.28926 19.7315 -0.520482 18.8269 -21.1122 TIMING: 3908800 CPU: 11322.1, 0.00288748/step Wall: 11322.1, 0.00288748/step, 0.875228 hours remaining, 211.953125 MB of memory in use. ENERGY: 3908800 730.7100 2104.0327 1951.4222 113.5768 -206149.6208 17774.1192 0.0000 0.0000 34218.4092 -149257.3506 298.8379 -183475.7598 -149164.8599 299.8852 -44.9702 -10.9213 557304.6018 -3.4944 -3.2582 PRESSURE: 3909000 70.7105 79.1685 -48.5625 79.1688 -73.9525 -88.4201 -48.5635 -88.4198 -253.544 GPRESSURE: 3909000 38.7768 8.44243 -124.613 45.4885 -12.7415 -102.975 69.0997 -39.9097 -181.253 PRESSAVG: 3909000 -6.05078 -21.8651 -14.9175 -21.8651 62.1522 7.70853 -14.9174 7.70842 -21.4518 GPRESSAVG: 3909000 -6.68288 -22.105 -15.1787 -22.233 62.4687 4.27241 -14.5162 7.64926 -21.0936 TIMING: 3909000 CPU: 11322.6, 0.00289413/step Wall: 11322.6, 0.00289413/step, 0.877081 hours remaining, 211.953125 MB of memory in use. ENERGY: 3909000 741.0212 2103.8748 1959.4224 108.3146 -205896.9275 17706.7595 0.0000 0.0000 34145.7307 -149131.8042 298.2032 -183277.5350 -149042.0886 299.2343 -85.5954 -51.7391 559500.2973 11.5499 11.5641 PRESSURE: 3909200 -284.978 -72.7017 177.387 -72.7015 -80.7309 80.1526 177.388 80.1529 -100.565 GPRESSURE: 3909200 -252.13 -83.9582 145.911 -114.72 -79.3382 36.8833 158.466 131.038 -35.9555 PRESSAVG: 3909200 -62.6922 36.4461 13.5251 36.446 49.3621 -13.3329 13.5252 -13.3329 10.5217 GPRESSAVG: 3909200 -63.8906 36.5583 14.0697 37.6319 50.1866 -13.2117 12.958 -11.6724 11.0593 TIMING: 3909200 CPU: 11323.2, 0.00287624/step Wall: 11323.2, 0.00287624/step, 0.871499 hours remaining, 211.953125 MB of memory in use. ENERGY: 3909200 791.0735 2118.8648 1904.5917 112.5786 -206304.1306 17705.7658 0.0000 0.0000 34403.7230 -149267.5332 300.4563 -183671.2562 -149181.0767 299.3666 -155.4244 -122.4745 558630.8321 -0.9361 -0.8816 PRESSURE: 3909400 -48.0163 -117.546 -95.1846 -117.546 -172.371 -17.6257 -95.1838 -17.6249 15.7402 GPRESSURE: 3909400 -16.5499 -90.6775 -79.992 -89.7801 -131.802 -57.8243 -100.385 -3.48404 41.8779 PRESSAVG: 3909400 -18.7493 0.968343 -5.114 0.96849 75.8438 1.6339 -5.11401 1.63395 -80.0552 GPRESSAVG: 3909400 -18.465 3.9611 -5.341 -0.830434 76.7744 1.42242 -5.51377 2.89598 -81.4355 TIMING: 3909400 CPU: 11323.8, 0.00289132/step Wall: 11323.8, 0.00289132/step, 0.875909 hours remaining, 211.953125 MB of memory in use. ENERGY: 3909400 739.8942 2149.9275 1919.1317 125.3643 -206304.3402 17798.6589 0.0000 0.0000 34211.8443 -149359.5193 298.7805 -183571.3636 -149260.7936 299.2327 -68.2158 -35.4912 558603.1506 -7.6536 -7.7087 PRESSURE: 3909600 81.4959 -40.2576 29.7813 -40.2583 162.206 97.55 29.781 97.5498 -45.4944 GPRESSURE: 3909600 132.106 -12.471 91.4153 -85.5037 110.913 146.273 -56.9107 -22.3766 55.676 PRESSAVG: 3909600 6.52595 38.1489 -50.863 38.1489 -27.9662 4.99009 -50.8631 4.99017 32.3982 GPRESSAVG: 3909600 6.7564 35.9003 -51.5787 39.0641 -28.5921 7.3146 -51.3703 3.2999 33.2791 TIMING: 3909600 CPU: 11324.4, 0.0028848/step Wall: 11324.4, 0.0028848/step, 0.873773 hours remaining, 211.953125 MB of memory in use. ENERGY: 3909600 723.4212 2004.1861 1917.0210 118.6088 -206604.6684 17978.8370 0.0000 0.0000 34366.0431 -149496.5512 300.1272 -183862.5943 -149395.9880 297.5093 66.0693 99.5649 557062.0145 3.6527 3.8145 PRESSURE: 3909800 169.292 -52.5796 -130.784 -52.579 -381.869 45.2313 -130.784 45.2331 118.198 GPRESSURE: 3909800 171.411 -60.9917 -209.755 43.5992 -326.896 -40.9399 -39.2949 101.371 160.93 PRESSAVG: 3909800 -15.7724 19.3705 -15.9237 19.3704 17.9322 -67.4539 -15.9236 -67.4539 -16.1195 GPRESSAVG: 3909800 -15.8062 22.7985 -15.621 17.8303 18.194 -68.6387 -15.4382 -68.1741 -16.1135 TIMING: 3909800 CPU: 11324.9, 0.00287159/step Wall: 11324.9, 0.00287159/step, 0.869614 hours remaining, 211.953125 MB of memory in use. ENERGY: 3909800 756.9342 2052.4179 1951.7037 107.0690 -206038.9305 17830.7706 0.0000 0.0000 34128.7173 -149211.3178 298.0546 -183340.0351 -149113.7950 298.2801 -31.4595 1.8148 558385.8608 -4.6532 -4.5752 PRESSURE: 3910000 -297.072 30.6198 85.583 30.6201 -59.8846 147.487 85.5819 147.487 -87.1687 GPRESSURE: 3910000 -208.975 -13.1812 77.2063 -23.4244 -52.0168 11.7568 77.2302 163.098 -80.0769 PRESSAVG: 3910000 64.773 -25.1553 -11.9704 -25.1554 -39.695 -12.9336 -11.9703 -12.9336 -42.524 GPRESSAVG: 3910000 64.607 -27.1432 -12.115 -25.2639 -39.7161 -13.2597 -11.4392 -12.0221 -41.9159 TIMING: 3910000 CPU: 11325.5, 0.00288466/step Wall: 11325.5, 0.00288466/step, 0.87341 hours remaining, 211.953125 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: 3910000 713.7457 2090.3398 1942.9702 130.9995 -206134.6464 17666.0773 0.0000 0.0000 34433.0921 -149157.4219 300.7128 -183590.5140 -149055.0466 298.9517 -148.0418 -113.6897 558795.6939 -5.8153 -5.6750 PRESSURE: 3910200 95.8897 -43.0095 256.499 -43.0085 284.91 -74.3074 256.498 -74.3079 -149.971 GPRESSURE: 3910200 123.105 30.3819 313.865 -8.4772 339.615 -28.3387 225.781 -32.2507 -129.242 PRESSAVG: 3910200 -8.78134 -8.04937 -11.5998 -8.04933 13.2031 -19.6374 -11.5996 -19.6373 37.8021 GPRESSAVG: 3910200 -8.61134 -9.61869 -12.2418 -6.35809 13.847 -18.8162 -9.98478 -19.7934 37.6167 TIMING: 3910200 CPU: 11326.1, 0.00289125/step Wall: 11326.1, 0.00289125/step, 0.875245 hours remaining, 211.953125 MB of memory in use. ENERGY: 3910200 749.2160 2080.6391 1946.1374 118.9487 -206437.3668 17975.0260 0.0000 0.0000 34360.3462 -149207.0534 300.0774 -183567.3996 -149115.0838 299.9257 76.9429 111.1593 558178.0628 14.0746 14.2841 PRESSURE: 3910400 -266.744 141.856 43.4192 141.855 113.174 -84.7323 43.4198 -84.7322 -203.102 GPRESSURE: 3910400 -203.727 134.042 -38.9425 195.245 143.246 -37.2161 25.7705 -79.1835 -201.514 PRESSAVG: 3910400 34.1079 3.25966 3.61324 3.25965 25.3403 -52.0001 3.61328 -52.0002 -55.7676 GPRESSAVG: 3910400 35.3055 5.64744 4.77808 2.49846 24.3232 -52.3618 1.99642 -52.0118 -55.943 TIMING: 3910400 CPU: 11326.7, 0.00287563/step Wall: 11326.7, 0.00287563/step, 0.870358 hours remaining, 211.953125 MB of memory in use. ENERGY: 3910400 763.9772 2073.0043 1941.8785 119.2544 -206113.5517 17717.7077 0.0000 0.0000 34242.2359 -149255.4938 299.0460 -183497.7296 -149152.8662 299.1336 -118.8905 -87.3316 558501.1692 1.2268 1.2286 PRESSURE: 3910600 8.88152 21.1605 -161.33 21.1601 -7.12968 119.192 -161.33 119.192 -140.192 GPRESSURE: 3910600 45.8904 36.5186 -222.263 5.01942 16.7567 78.8909 -47.9558 119.142 -95.0838 PRESSAVG: 3910600 46.0706 46.0944 -7.31644 46.0945 19.8281 40.6592 -7.3164 40.6594 -88.1475 GPRESSAVG: 3910600 44.9719 45.9206 -8.13723 42.98 21.2021 41.236 -5.40418 40.2717 -88.1333 TIMING: 3910600 CPU: 11327.3, 0.00288366/step Wall: 11327.3, 0.00288366/step, 0.872627 hours remaining, 211.953125 MB of memory in use. ENERGY: 3910600 752.6916 2070.8737 1964.4926 116.0641 -206312.9044 17805.9546 0.0000 0.0000 34395.0246 -149207.8031 300.3803 -183602.8277 -149112.2113 299.0558 -46.1468 -10.8122 557129.3407 -7.4163 -7.3198 PRESSURE: 3910800 64.3747 -216.171 38.2258 -216.171 473.572 -139.249 38.2256 -139.25 261.176 GPRESSURE: 3910800 80.9314 -180.066 17.2585 -198.176 532.779 -92.1884 61.8346 -170.1 281.232 PRESSAVG: 3910800 -2.16641 27.4076 -21.3959 27.4076 86.6033 -2.63654 -21.3959 -2.63666 -34.1242 GPRESSAVG: 3910800 -1.92542 27.2087 -21.927 28.6958 86.3387 -1.29656 -23.1823 -3.17491 -33.9019 TIMING: 3910800 CPU: 11327.8, 0.00287791/step Wall: 11327.8, 0.00287791/step, 0.870728 hours remaining, 211.953125 MB of memory in use. ENERGY: 3910800 740.0387 2082.5541 1990.9277 123.6437 -206493.3163 18148.6300 0.0000 0.0000 34160.0616 -149247.4605 298.3283 -183407.5222 -149155.2678 299.5215 266.3741 298.3144 556691.2799 16.7709 16.8371 PRESSURE: 3911000 259.849 -88.2614 -148.904 -88.2614 -238.599 26.297 -148.903 26.2965 -97.7331 GPRESSURE: 3911000 203.161 -43.7238 -83.2652 -73.0337 -131.944 7.56281 -189.263 43.7174 -43.635 PRESSAVG: 3911000 -7.84423 1.361 -69.4174 1.36106 45.4979 27.2809 -69.4175 27.2808 -73.1428 GPRESSAVG: 3911000 -7.1154 -0.903506 -69.81 2.57384 45.9841 24.6472 -69.3732 28.7046 -74.1369 TIMING: 3911000 CPU: 11328.4, 0.00286761/step Wall: 11328.4, 0.00286761/step, 0.867452 hours remaining, 211.953125 MB of memory in use. ENERGY: 3911000 735.4754 2084.6626 1923.5192 119.4033 -206097.0450 17881.7980 0.0000 0.0000 34224.9814 -149127.2052 298.8953 -183352.1865 -149032.1513 299.8488 -25.4941 9.1939 558056.9408 -11.8297 -11.7561 PRESSURE: 3911200 58.0724 162.165 -87.4752 162.165 107.342 97.7563 -87.4745 97.7563 -450.74 GPRESSURE: 3911200 115.829 133.027 -97.6657 127.076 113.177 25.7897 -116.563 139.161 -408.843 PRESSAVG: 3911200 41.4121 76.9495 34.8655 76.9496 7.19175 20.2256 34.8656 20.2257 -65.2825 GPRESSAVG: 3911200 40.3834 78.1727 36.632 75.5445 7.85132 22.3949 35.8235 17.9926 -65.0116 TIMING: 3911200 CPU: 11329, 0.00285957/step Wall: 11329, 0.00285957/step, 0.864861 hours remaining, 211.953125 MB of memory in use. ENERGY: 3911200 765.0300 2068.5140 1948.4677 110.7282 -206027.7936 17712.4787 0.0000 0.0000 34247.2828 -149175.2921 299.0900 -183422.5749 -149080.5331 299.8447 -95.1085 -59.9457 557924.3885 -5.5596 -5.5923 PRESSURE: 3911400 33.7023 -77.4299 146.33 -77.4295 20.9452 20.8926 146.331 20.8938 58.4574 GPRESSURE: 3911400 67.4638 -9.95235 110.045 -99.0266 91.3367 28.3021 264.544 85.7817 46.1451 PRESSAVG: 3911400 55.9971 -2.10308 6.80411 -2.10313 4.00938 10.617 6.80413 10.6169 -60.1352 GPRESSAVG: 3911400 56.5727 -3.93051 4.39238 -0.347436 3.45966 9.92753 6.62703 11.5826 -60.0829 TIMING: 3911400 CPU: 11329.5, 0.00286211/step Wall: 11329.5, 0.00286211/step, 0.865469 hours remaining, 211.953125 MB of memory in use. ENERGY: 3911400 763.7926 2073.6052 1948.7763 116.1925 -206588.0367 18014.1156 0.0000 0.0000 34327.9189 -149343.6357 299.7943 -183671.5545 -149238.7237 299.3489 37.7016 68.3152 556405.3081 -0.0429 -0.0169 PRESSURE: 3911600 164.316 -40.603 -11.0973 -40.603 -44.4653 96.8937 -11.0969 96.894 91.9038 GPRESSURE: 3911600 133.237 -4.86098 0.848623 -69.5376 70.3936 131.011 31.2307 186.154 115.122 PRESSAVG: 3911600 24.0928 4.30159 0.77493 4.30154 28.1496 57.6752 0.774893 57.6751 -54.3757 GPRESSAVG: 3911600 22.732 5.80564 1.09563 3.3699 28.8417 58.2299 0.0130612 57.1418 -54.0775 TIMING: 3911600 CPU: 11330.1, 0.00286994/step Wall: 11330.1, 0.00286994/step, 0.867677 hours remaining, 211.953125 MB of memory in use. ENERGY: 3911600 746.6928 2121.4571 1952.9510 113.3161 -206623.0399 17902.9689 0.0000 0.0000 34380.9161 -149404.7379 300.2571 -183785.6540 -149299.9096 298.9214 70.5847 106.2511 556032.2493 -0.7111 -0.8346 PRESSURE: 3911800 -35.3799 232.719 21.6764 232.719 80.1414 26.1495 21.677 26.1487 75.5027 GPRESSURE: 3911800 -5.4886 236.691 58.5514 191.202 83.143 1.24957 -53.956 -10.8528 135.203 PRESSAVG: 3911800 -1.90964 19.1877 -9.10685 19.1877 -1.00361 64.8615 -9.10685 64.8614 -6.41222 GPRESSAVG: 3911800 -1.76312 16.5352 -8.47771 21.1119 -1.15668 63.6771 -8.57372 67.7178 -6.05758 TIMING: 3911800 CPU: 11330.7, 0.00289205/step Wall: 11330.7, 0.00289205/step, 0.874202 hours remaining, 211.953125 MB of memory in use. ENERGY: 3911800 734.8028 2093.6772 1965.0638 115.5015 -206171.7628 17784.7761 0.0000 0.0000 34134.5483 -149343.3931 298.1055 -183477.9414 -149252.4647 299.3784 40.0881 70.9524 557058.0470 -3.1085 -2.9925 PRESSURE: 3912000 73.4774 -101.857 183.743 -101.854 -200.811 -182.859 183.741 -182.861 -166.456 GPRESSURE: 3912000 104.649 -140.904 74.0605 -54.525 -131.238 -188.912 269.148 -189.523 -179.095 PRESSAVG: 3912000 22.3681 22.0385 40.5367 22.0385 31.1771 17.6959 40.5368 17.6958 -97.654 GPRESSAVG: 3912000 24.0392 24.9125 40.4089 19.9357 30.6926 19.6 40.623 14.5731 -98.8986 TIMING: 3912000 CPU: 11331.3, 0.00288605/step Wall: 11331.3, 0.00288605/step, 0.872227 hours remaining, 211.953125 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: 3912000 772.7916 2113.9786 1925.7948 103.2485 -206375.7116 17763.7975 0.0000 0.0000 34310.1498 -149385.9506 299.6391 -183696.1005 -149295.1386 299.0361 -97.9296 -68.5613 556932.5410 -14.7029 -14.7223 PRESSURE: 3912200 125.123 54.4146 40.1912 54.416 -81.0148 -193.833 40.191 -193.834 -5.60186 GPRESSURE: 3912200 156.838 96.3692 2.03025 83.1906 -56.108 -177.053 51.5159 -178.918 25.6667 PRESSAVG: 3912200 52.943 -34.5124 16.906 -34.5123 -6.63792 -11.4187 16.9061 -11.4188 -47.9548 GPRESSAVG: 3912200 53.2381 -36.623 17.8445 -31.519 -7.19198 -13.3418 16.9217 -10.8861 -48.0808 TIMING: 3912200 CPU: 11331.8, 0.00286965/step Wall: 11331.8, 0.00286965/step, 0.867114 hours remaining, 211.953125 MB of memory in use. ENERGY: 3912200 738.7032 2105.2518 1939.5806 128.8478 -206366.1497 17807.7658 0.0000 0.0000 34194.0935 -149451.9069 298.6255 -183646.0005 -149347.7591 299.2233 12.8355 42.1321 556102.0493 -0.5499 -0.6782 LDB: ============= START OF LOAD BALANCING ============== 11335.2 LDB: ============== END OF LOAD BALANCING =============== 11335.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11335.2 LDB: ============= START OF LOAD BALANCING ============== 11335.5 LDB: Largest compute 4792 load 0.024742 is 21.0% of average load 0.118073 LDB: Average compute 0.001727 is 1.5% of average load 0.118073 LDB: TIME 11335.5 LOAD: AVG 0.118073 MAX 0.177699 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 11335.5 LOAD: AVG 0.118073 MAX 0.177699 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: TIME 11335.5 LOAD: AVG 0.118073 MAX 0.177699 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: ============== END OF LOAD BALANCING =============== 11335.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11335.5 PRESSURE: 3912400 -48.766 155.518 -80.8757 155.518 46.3235 -151.068 -80.8747 -151.07 -104.777 GPRESSURE: 3912400 -28.5896 43.6525 -61.4735 180.191 107.766 -190.795 -97.1392 -122.682 -77.9501 PRESSAVG: 3912400 53.3424 -25.4994 35.1785 -25.4995 53.2912 -6.54271 35.1785 -6.54276 -35.1314 GPRESSAVG: 3912400 52.5126 -25.9977 33.2976 -26.3409 52.7711 -6.74588 38.3547 -5.02474 -33.6101 TIMING: 3912400 CPU: 11332.4, 0.00292441/step Wall: 11332.4, 0.00292441/step, 0.883497 hours remaining, 211.121094 MB of memory in use. ENERGY: 3912400 780.1832 2077.3945 1958.8916 108.5272 -206541.1532 17935.2385 0.0000 0.0000 34333.7033 -149347.2147 299.8448 -183680.9181 -149250.3400 298.2261 -35.7400 0.4087 558003.2852 23.8341 23.8912 PRESSURE: 3912600 -301.831 49.7863 145.131 49.7869 -201.312 -173.549 145.132 -173.548 107.995 GPRESSURE: 3912600 -243.758 -41.3397 171.087 121.083 -168.766 -186.375 136.483 -142.785 113.679 PRESSAVG: 3912600 -96.1601 4.62447 11.4224 4.62448 3.04414 -27.1988 11.4225 -27.1989 89.6709 GPRESSAVG: 3912600 -95.534 8.97866 13.6531 4.12922 4.98209 -26.9598 8.6897 -28.7938 87.3616 TIMING: 3912600 CPU: 11333, 0.00286279/step Wall: 11333, 0.00286279/step, 0.86472 hours remaining, 211.121094 MB of memory in use. ENERGY: 3912600 752.3941 2077.7372 1946.4712 113.4292 -206121.0557 17683.1650 0.0000 0.0000 34214.2815 -149333.5774 298.8018 -183547.8589 -149237.9194 298.1223 -131.7161 -99.6150 558126.7395 -1.1484 -1.0634 PRESSURE: 3912800 -123.378 24.8768 -44.7763 24.8772 320.304 -24.36 -44.7752 -24.3591 138.51 GPRESSURE: 3912800 -130.979 18.8813 -156.892 150.332 318.173 -82.567 -8.70703 -47.0688 248.873 PRESSAVG: 3912800 -11.1173 30.7737 20.0245 30.7737 15.0105 -44.4185 20.0245 -44.4185 46.8392 GPRESSAVG: 3912800 -12.3784 28.6341 18.0448 31.4084 14.7869 -44.1857 20.8615 -43.5033 48.1048 TIMING: 3912800 CPU: 11333.6, 0.00288417/step Wall: 11333.6, 0.00288417/step, 0.87102 hours remaining, 211.121094 MB of memory in use. ENERGY: 3912800 744.9605 2033.2216 1947.2339 116.5784 -206372.1910 18000.0867 0.0000 0.0000 34279.6830 -149250.4269 299.3730 -183530.1099 -149153.8843 298.9247 111.8117 145.3555 557386.9481 16.9108 16.8378 PRESSURE: 3913000 -32.9803 -28.0952 -112.503 -28.0947 -155.925 -34.8926 -112.504 -34.8941 -44.2051 GPRESSURE: 3913000 12.6544 -68.2443 -57.7421 -0.155729 -117.2 -37.4335 -112.531 33.8818 -28.3423 PRESSAVG: 3913000 -3.40623 -5.05263 -64.6492 -5.05264 -4.8852 -7.72485 -64.6491 -7.72483 -2.32573 GPRESSAVG: 3913000 -4.11524 -3.77654 -61.5498 -6.2594 -5.22417 -9.47913 -65.4382 -8.24143 -1.81006 TIMING: 3913000 CPU: 11334.2, 0.00289609/step Wall: 11334.2, 0.00289609/step, 0.874457 hours remaining, 211.121094 MB of memory in use. ENERGY: 3913000 759.8895 2063.9288 1925.2709 108.7942 -206170.7672 17822.5399 0.0000 0.0000 34189.9918 -149300.3521 298.5897 -183490.3439 -149204.4147 298.6267 -77.7035 -44.2960 557193.8588 -3.5391 -3.7165 PRESSURE: 3913200 -54.3824 29.1908 -49.6296 29.1915 -178.654 -109.172 -49.6293 -109.173 -25.5163 GPRESSURE: 3913200 28.9432 -13.0631 26.2946 -11.7165 -155.201 -143.489 -60.7222 -113.325 -31.2309 PRESSAVG: 3913200 -67.6328 42.7198 -46.5011 42.7198 24.3391 -60.48 -46.5011 -60.48 4.05235 GPRESSAVG: 3913200 -65.8563 39.1045 -48.3457 44.7009 24.0315 -58.7402 -44.9208 -59.0569 2.98981 TIMING: 3913200 CPU: 11334.7, 0.0028713/step Wall: 11334.7, 0.0028713/step, 0.866812 hours remaining, 211.121094 MB of memory in use. ENERGY: 3913200 785.4269 2046.4579 1923.4082 109.0920 -206107.6885 17723.8414 0.0000 0.0000 34226.2177 -149293.2445 298.9061 -183519.4622 -149203.3439 298.7031 -86.1843 -52.4963 557396.5710 -13.0805 -12.9450 PRESSURE: 3913400 133.984 -111.681 -97.0032 -111.681 -218.172 -31.1214 -97.0035 -31.1218 -170.633 GPRESSURE: 3913400 154.138 -134.373 -97.045 -70.4809 -158.965 -44.6037 -59.4743 -23.6986 -155.814 PRESSAVG: 3913400 -59.2312 -9.47569 -78.9368 -9.47557 44.4433 -43.5606 -78.9369 -43.5606 32.3135 GPRESSAVG: 3913400 -59.9521 -8.08394 -79.362 -10.2568 44.9201 -45.0428 -81.5701 -45.6019 32.3485 TIMING: 3913400 CPU: 11335.3, 0.00288544/step Wall: 11335.3, 0.00288544/step, 0.870921 hours remaining, 211.121094 MB of memory in use. ENERGY: 3913400 776.8386 2093.7527 1953.0238 117.3249 -206335.1649 17683.8381 0.0000 0.0000 34357.7878 -149352.5990 300.0551 -183710.3868 -149257.3089 298.8672 -84.9405 -53.5469 557541.1655 5.8419 5.7722 PRESSURE: 3913600 88.7279 63.2954 -47.4689 63.2968 -81.9425 -15.5029 -47.4695 -15.5027 -155.148 GPRESSURE: 3913600 100.82 53.944 -38.6195 109.317 -82.2048 -10.0772 -13.7229 2.86138 -81.9162 PRESSAVG: 3913600 -50.3179 -34.5827 -28.222 -34.5826 8.57942 50.8164 -28.222 50.8164 0.774634 GPRESSAVG: 3913600 -50.5775 -33.5575 -28.526 -36.4102 7.64259 52.6463 -25.7389 50.5566 1.16641 TIMING: 3913600 CPU: 11335.9, 0.00287523/step Wall: 11335.9, 0.00287523/step, 0.867681 hours remaining, 211.121094 MB of memory in use. ENERGY: 3913600 708.0459 2089.9307 1954.3295 98.3389 -206225.5156 17597.9854 0.0000 0.0000 34259.8469 -149517.0383 299.1998 -183776.8852 -149419.1188 298.1800 -49.4540 -21.1003 557054.0195 -13.6546 -13.9228 PRESSURE: 3913800 -59.935 15.0571 -26.9904 15.0575 -225.836 -67.7836 -26.9892 -67.785 177.987 GPRESSURE: 3913800 -21.7831 -52.8956 -35.366 75.1716 -122.277 -111.501 -4.21423 23.4726 138.71 PRESSAVG: 3913800 -52.3029 7.6063 22.9818 7.60637 35.0746 -3.2673 22.9817 -3.26733 -10.7043 GPRESSAVG: 3913800 -52.2661 6.5483 22.7986 9.3448 35.8379 -2.23826 22.0893 -3.49104 -11.862 TIMING: 3913800 CPU: 11336.5, 0.0028791/step Wall: 11336.5, 0.0028791/step, 0.868688 hours remaining, 211.121094 MB of memory in use. ENERGY: 3913800 740.1779 2029.6981 1928.5196 101.9314 -206391.8700 17857.9481 0.0000 0.0000 34170.4831 -149563.1116 298.4193 -183733.5948 -149468.3397 298.5510 -35.9279 -1.7833 557199.5086 -9.3108 -9.4300 PRESSURE: 3914000 -145.973 -162.874 -6.24478 -162.876 -171.44 -30.1302 -6.24417 -30.1298 -172.711 GPRESSURE: 3914000 -100.658 -161.455 -8.97835 -186.677 -152.078 -43.7301 34.8656 51.9948 -142.446 PRESSAVG: 3914000 4.09238 10.1646 -54.1327 10.1646 -10.0647 -3.1045 -54.1327 -3.10447 14.7807 GPRESSAVG: 3914000 3.78843 11.4629 -53.7216 9.98035 -10.4223 -2.47939 -52.2337 -3.79086 14.9489 TIMING: 3914000 CPU: 11337, 0.00289106/step Wall: 11337, 0.00289106/step, 0.872136 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3914000 777.0813 2108.3055 1947.9112 107.9137 -206128.3955 17585.3099 0.0000 0.0000 34232.4624 -149369.4116 298.9606 -183601.8739 -149280.2841 298.6245 -163.3745 -131.7272 557848.7163 2.9361 2.7717 PRESSURE: 3914200 -208.572 38.8105 80.88 38.8104 -144.321 -38.9561 80.8793 -38.9573 168.694 GPRESSURE: 3914200 -191.577 12.8934 11.6105 140.02 -87.1854 -6.77156 205.459 10.3047 197.143 PRESSAVG: 3914200 12.3908 19.48 49.2727 19.48 -44.0165 -9.60628 49.2726 -9.6063 12.1741 GPRESSAVG: 3914200 11.2369 18.7448 49.6538 20.4413 -43.4648 -11.4031 46.9933 -7.93237 12.8628 TIMING: 3914200 CPU: 11337.6, 0.00290061/step Wall: 11337.6, 0.00290061/step, 0.874855 hours remaining, 211.121094 MB of memory in use. ENERGY: 3914200 755.5149 2040.3379 1933.4718 115.7787 -206303.2883 17752.5909 0.0000 0.0000 34150.3447 -149555.2494 298.2435 -183705.5941 -149447.3628 297.9808 -61.4000 -27.2063 557030.2940 -6.4839 -6.4550 PRESSURE: 3914400 -116.962 -48.3165 142.657 -48.3166 -24.6819 83.4109 142.657 83.4115 -42.414 GPRESSURE: 3914400 -74.5218 -61.6718 80.2779 -94.4235 19.7856 101.397 216.804 18.6706 -25.6112 PRESSAVG: 3914400 30.4445 -6.10158 71.0306 -6.10152 -8.58112 -0.438659 71.0306 -0.438631 -19.2402 GPRESSAVG: 3914400 32.0987 -6.06933 71.5994 -9.8711 -9.13573 -1.49202 71.9168 1.35131 -19.9248 TIMING: 3914400 CPU: 11338.2, 0.00286367/step Wall: 11338.2, 0.00286367/step, 0.863556 hours remaining, 211.121094 MB of memory in use. ENERGY: 3914400 737.5165 2070.1309 1939.6598 108.7183 -206246.5856 17769.3253 0.0000 0.0000 33969.5745 -149651.6603 296.6647 -183621.2348 -149553.7584 298.1638 -61.3526 -26.7825 558206.8501 0.8744 1.0127 PRESSURE: 3914600 108.304 -102.425 46.7484 -102.425 -195.996 243.942 46.7494 243.942 -100.005 GPRESSURE: 3914600 65.4411 -132.402 42.6388 -103.389 -160.626 359.71 71.2055 196.788 -8.19259 PRESSAVG: 3914600 2.08211 -0.244665 16.2541 -0.244689 60.6019 6.57437 16.2542 6.57446 -34.3105 GPRESSAVG: 3914600 2.56434 -0.847166 15.95 0.546402 60.2627 7.59253 14.7305 3.85323 -34.6641 TIMING: 3914600 CPU: 11338.8, 0.00286771/step Wall: 11338.8, 0.00286771/step, 0.864616 hours remaining, 211.121094 MB of memory in use. ENERGY: 3914600 741.7550 2092.3632 1924.0140 105.1595 -206382.2480 17801.1169 0.0000 0.0000 34131.7247 -149586.1147 298.0808 -183717.8394 -149484.4660 297.8181 -62.5657 -34.4592 556503.5007 9.4578 9.3877 PRESSURE: 3914800 -205.869 113.021 36.4393 113.017 -75.9068 -78.4253 36.4403 -78.4227 -153.602 GPRESSURE: 3914800 -194.013 119.323 33.4195 84.3882 -29.0246 -83.832 109.918 -23.7326 -131.028 PRESSAVG: 3914800 18.4496 -51.8494 14.964 -51.8494 84.2597 8.15096 14.9641 8.15093 -58.8074 GPRESSAVG: 3914800 17.4039 -52.1251 13.9808 -51.2917 83.8862 7.94678 17.4556 8.67018 -57.5944 TIMING: 3914800 CPU: 11339.3, 0.00286631/step Wall: 11339.3, 0.00286631/step, 0.864034 hours remaining, 211.121094 MB of memory in use. ENERGY: 3914800 736.0487 2048.9060 1937.0994 116.8204 -205599.3219 17411.2145 0.0000 0.0000 33934.6967 -149414.5363 296.3601 -183349.2330 -149325.4834 298.0358 -145.1259 -118.0217 557594.2208 14.6340 14.5652 PRESSURE: 3915000 -188.062 -136.488 120.665 -136.489 143.692 -131.877 120.666 -131.878 153.57 GPRESSURE: 3915000 -159.128 -90.4717 105.769 -146.818 150.57 -78.1522 68.6339 -83.2503 221.445 PRESSAVG: 3915000 -42.5883 -24.8267 39.8636 -24.8266 -38.0271 -22.3005 39.8637 -22.3005 35.2616 GPRESSAVG: 3915000 -42.385 -24.2178 39.1027 -23.3747 -37.6725 -22.2317 37.8509 -20.8391 34.9355 TIMING: 3915000 CPU: 11339.9, 0.00287012/step Wall: 11339.9, 0.00287012/step, 0.865022 hours remaining, 211.121094 MB of memory in use. ENERGY: 3915000 781.7518 2104.2926 1970.7053 110.6908 -206748.4338 18036.0251 0.0000 0.0000 34248.6716 -149496.2967 299.1022 -183744.9682 -149398.5440 298.4529 36.3999 70.9622 556835.7484 -15.1179 -15.0407 PRESSURE: 3915200 -146.936 -28.7678 45.6941 -28.7671 -331.387 24.4553 45.6927 24.457 -172.995 GPRESSURE: 3915200 -124.849 -55.4399 62.4627 -82.4969 -305.56 43.9127 -82.0121 -38.1045 -137.121 PRESSAVG: 3915200 -10.0653 -25.1507 15.8252 -25.1507 3.41865 -14.6661 15.8252 -14.6662 11.1913 GPRESSAVG: 3915200 -10.5957 -25.3446 16.0899 -25.8573 3.74204 -14.8081 17.8473 -17.6569 10.6089 TIMING: 3915200 CPU: 11340.5, 0.00288306/step Wall: 11340.5, 0.00288306/step, 0.868763 hours remaining, 211.121094 MB of memory in use. ENERGY: 3915200 767.7013 2088.5400 1945.1774 117.7911 -206429.1208 17588.2547 0.0000 0.0000 34411.5002 -149510.1562 300.5242 -183921.6563 -149412.5029 298.9899 -217.1056 -189.1764 557310.6250 1.5149 1.2518 PRESSURE: 3915400 -147.438 -102.581 39.329 -102.583 44.5496 113.534 39.3291 113.535 282.485 GPRESSURE: 3915400 -64.9817 -124.394 100.796 -160.008 43.0846 148.397 30.4001 123.446 280.554 PRESSAVG: 3915400 0.0407867 -12.0412 43.1221 -12.0412 -79.0391 -8.54864 43.1221 -8.54837 113.864 GPRESSAVG: 3915400 0.845316 -10.4308 44.7273 -13.1646 -80.0085 -9.04645 42.9361 -5.69428 113.928 TIMING: 3915400 CPU: 11341.1, 0.00287339/step Wall: 11341.1, 0.00287339/step, 0.865688 hours remaining, 211.121094 MB of memory in use. ENERGY: 3915400 740.8465 2127.3918 1971.3658 129.4637 -206590.4661 17972.7721 0.0000 0.0000 34269.4257 -149379.2005 299.2834 -183648.6262 -149287.0965 299.7299 59.8655 86.2191 556395.1718 11.6219 11.5883 PRESSURE: 3915600 -9.64653 147.34 152.115 147.341 -195.47 -25.8687 152.114 -25.8706 -41.2651 GPRESSURE: 3915600 16.8099 92.8473 107.706 204.209 -127.41 -54.3323 127.693 7.22855 -43.475 PRESSAVG: 3915600 12.7094 9.3494 59.1218 9.34942 -8.23386 -5.15353 59.1218 -5.15357 5.2741 GPRESSAVG: 3915600 10.5428 8.28839 59.269 12.1018 -6.06208 -2.55229 58.3152 -8.48228 5.75824 TIMING: 3915600 CPU: 11341.6, 0.00285791/step Wall: 11341.6, 0.00285791/step, 0.860867 hours remaining, 211.121094 MB of memory in use. ENERGY: 3915600 769.8025 2111.0451 1942.8962 120.4882 -206429.8645 17786.9820 0.0000 0.0000 34346.1837 -149352.4667 299.9538 -183698.6504 -149255.4380 298.7868 -82.1271 -51.3583 556349.0353 3.2499 3.4130 PRESSURE: 3915800 -134.134 49.3508 3.10953 49.3506 -150.025 65.1552 3.10974 65.154 -221.538 GPRESSURE: 3915800 -128.359 -27.0193 -0.617667 58.6923 -107.223 -18.0803 -23.5948 71.8176 -168.335 PRESSAVG: 3915800 8.47038 23.7487 26.8581 23.7488 -14.3336 18.9622 26.8582 18.9621 61.1972 GPRESSAVG: 3915800 10.3323 22.2145 25.2422 23.6644 -15.9982 17.0151 27.3232 21.4606 60.677 TIMING: 3915800 CPU: 11342.2, 0.00286537/step Wall: 11342.2, 0.00286537/step, 0.862954 hours remaining, 211.121094 MB of memory in use. ENERGY: 3915800 768.6560 2096.7262 1946.3800 111.3320 -206171.5988 17574.2149 0.0000 0.0000 34202.1047 -149472.1850 298.6955 -183674.2897 -149383.3796 299.2148 -168.5659 -134.6392 557258.2270 18.4447 18.3370 PRESSURE: 3916000 -114.384 138.62 70.9508 138.621 -224.201 -2.33247 70.9502 -2.33247 0.523109 GPRESSURE: 3916000 -100.471 165.641 36.1293 4.7861 -188.756 19.0408 109.242 -41.0337 38.0938 PRESSAVG: 3916000 -59.9321 15.6841 11.2056 15.6841 -40.8653 10.6581 11.2057 10.6582 95.5789 GPRESSAVG: 3916000 -60.5171 18.3167 11.6274 13.77 -42.6372 8.97191 10.6586 10.2119 97.1611 TIMING: 3916000 CPU: 11342.8, 0.00286178/step Wall: 11342.8, 0.00286178/step, 0.861714 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3916000 769.0140 2070.4466 1929.6694 113.7187 -206282.6590 17787.3140 0.0000 0.0000 34224.8182 -149387.6782 298.8938 -183612.4963 -149294.6214 298.8189 -112.6871 -83.7109 557427.3650 -1.7395 -1.9977 PRESSURE: 3916200 -39.7822 119.747 7.50538 119.747 -59.5255 -116.17 7.50443 -116.168 278.234 GPRESSURE: 3916200 -29.1083 41.3827 30.5639 117.738 29.7459 -119.989 2.82511 -107.998 268.323 PRESSAVG: 3916200 -71.5874 24.6043 -25.8014 24.6043 -17.6531 -45.8133 -25.8014 -45.813 49.9423 GPRESSAVG: 3916200 -71.2447 24.8342 -26.2486 26.7367 -16.1132 -43.5477 -22.6958 -45.9187 47.8459 TIMING: 3916200 CPU: 11343.4, 0.00286916/step Wall: 11343.4, 0.00286916/step, 0.863776 hours remaining, 211.121094 MB of memory in use. ENERGY: 3916200 754.2275 2146.6143 1944.3462 113.2790 -206397.7125 17938.0455 0.0000 0.0000 34389.9485 -149111.2514 300.3360 -183501.1999 -149016.7705 298.9448 59.6420 89.6536 557177.3903 -13.0994 -13.1707 LDB: ============= START OF LOAD BALANCING ============== 11346.7 LDB: ============== END OF LOAD BALANCING =============== 11346.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11346.7 LDB: ============= START OF LOAD BALANCING ============== 11347 LDB: Largest compute 4792 load 0.022793 is 19.3% of average load 0.118088 LDB: Average compute 0.001718 is 1.5% of average load 0.118088 LDB: TIME 11347 LOAD: AVG 0.118088 MAX 0.181587 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 11347 LOAD: AVG 0.118088 MAX 0.181587 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.637 MB LDB: TIME 11347 LOAD: AVG 0.118088 MAX 0.181587 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11347 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11347 PRESSURE: 3916400 -87.6363 -77.1238 72.6564 -77.1238 -70.2022 51.4626 72.656 51.4634 -265.409 GPRESSURE: 3916400 -33.7426 26.2434 93.845 -123.891 -87.2043 29.5205 -19.2213 58.9859 -222.161 PRESSAVG: 3916400 -60.2458 -26.2349 -11.8136 -26.2349 8.50564 -48.1203 -11.8136 -48.1204 48.1453 GPRESSAVG: 3916400 -59.6425 -29.1489 -11.3631 -25.9689 8.16288 -50.786 -13.7946 -48.3272 47.917 TIMING: 3916400 CPU: 11343.9, 0.00292214/step Wall: 11343.9, 0.00292214/step, 0.879565 hours remaining, 211.179688 MB of memory in use. ENERGY: 3916400 773.9808 2136.7719 1946.6571 115.9774 -206056.8139 17602.9006 0.0000 0.0000 34265.7072 -149214.8190 299.2509 -183480.5262 -149115.2638 299.0578 -141.0824 -114.3694 557347.3103 -1.1983 -1.1875 PRESSURE: 3916600 -33.4833 -86.2807 10.4074 -86.2826 -39.486 -115.651 10.4073 -115.652 -224.217 GPRESSURE: 3916600 -13.722 -67.7472 7.44033 -83.842 32.6805 -90.4214 31.9037 -104.243 -221.796 PRESSAVG: 3916600 -50.2062 -37.7366 -48.5728 -37.7368 9.71803 55.1589 -48.5728 55.1589 4.56485 GPRESSAVG: 3916600 -50.4618 -37.0631 -48.2865 -38.9198 9.4496 56.3202 -49.1763 55.0166 5.08412 TIMING: 3916600 CPU: 11344.5, 0.00286533/step Wall: 11344.5, 0.00286533/step, 0.862305 hours remaining, 211.382812 MB of memory in use. ENERGY: 3916600 771.7846 2073.4960 1967.9639 105.0439 -206237.3490 17881.4369 0.0000 0.0000 34229.1962 -149208.4276 298.9321 -183437.6238 -149109.5282 299.4051 -99.0619 -67.6124 559326.4509 -11.9744 -11.9760 PRESSURE: 3916800 85.7649 97.6248 -166.53 97.6248 -66.4492 -136.51 -166.531 -136.511 246.129 GPRESSURE: 3916800 80.9187 87.1173 -127.229 143.564 -4.13752 -201.847 -14.476 -178.986 296.052 PRESSAVG: 3916800 -23.3782 37.4199 3.93732 37.4199 12.7852 -24.2115 3.93734 -24.2115 -2.1327 GPRESSAVG: 3916800 -24.0243 39.0669 5.11616 37.0397 11.1648 -22.4147 4.31234 -24.1802 0.0999358 TIMING: 3916800 CPU: 11345.1, 0.00285852/step Wall: 11345.1, 0.00285852/step, 0.860098 hours remaining, 211.382812 MB of memory in use. ENERGY: 3916800 727.0002 2123.9287 1960.6843 104.0637 -206393.5647 18077.2938 0.0000 0.0000 34145.2935 -149255.3004 298.1993 -183400.5939 -149157.2938 299.5497 88.4817 124.2779 558499.5808 -4.2419 -4.2532 PRESSURE: 3917000 -25.6489 -62.6675 -91.1378 -62.6666 125.938 31.9827 -91.1398 31.9822 -180.095 GPRESSURE: 3917000 -18.6034 -30.9846 8.27332 -7.32996 154.358 5.46025 -76.9508 73.6269 -129.573 PRESSAVG: 3917000 61.0542 -56.5101 -39.7582 -56.5102 -38.3275 -4.29494 -39.7583 -4.29492 29.2426 GPRESSAVG: 3917000 61.9238 -56.6717 -41.7877 -56.8555 -35.8416 -6.46871 -39.0624 -3.4025 27.0483 TIMING: 3917000 CPU: 11345.7, 0.00285908/step Wall: 11345.7, 0.00285908/step, 0.860105 hours remaining, 211.382812 MB of memory in use. ENERGY: 3917000 739.5751 2100.9739 1917.4414 114.4527 -206041.8731 17752.4847 0.0000 0.0000 34216.2731 -149200.6722 298.8192 -183416.9453 -149094.7855 299.2676 -26.6019 2.0606 558144.3256 17.3231 17.7102 PRESSURE: 3917200 36.1502 4.68189 132.646 4.68198 43.0155 47.5746 132.647 47.5742 -60.4349 GPRESSURE: 3917200 89.0531 122.134 156.355 -95.904 129.878 19.9359 59.8666 10.2403 -104.51 PRESSAVG: 3917200 27.071 14.6222 -10.3675 14.6222 -75.1296 29.8963 -10.3676 29.8963 -18.7571 GPRESSAVG: 3917200 27.0866 14.8945 -11.1488 14.6798 -76.113 29.8515 -11.0177 28.1951 -17.7591 TIMING: 3917200 CPU: 11346.2, 0.00287688/step Wall: 11346.2, 0.00287688/step, 0.865301 hours remaining, 211.437500 MB of memory in use. ENERGY: 3917200 744.5315 2095.1785 1945.8577 103.3704 -205876.6005 17684.0225 0.0000 0.0000 34240.3454 -149063.2945 299.0295 -183303.6399 -148968.1326 298.5829 6.2436 38.1401 556102.1987 -22.2719 -22.2618 PRESSURE: 3917400 22.7563 44.1464 104.126 44.1468 61.1247 50.8887 104.126 50.8887 54.8576 GPRESSURE: 3917400 85.4573 14.0657 68.4714 27.448 46.4687 67.5608 21.8199 32.2018 93.8742 PRESSAVG: 3917400 54.4669 -12.4349 53.9373 -12.4348 -23.2131 -6.60018 53.9374 -6.60015 -21.2938 GPRESSAVG: 3917400 54.4278 -13.6936 56.3957 -11.637 -22.7917 -5.24219 52.4384 -6.77536 -22.0753 TIMING: 3917400 CPU: 11346.8, 0.00288791/step Wall: 11346.8, 0.00288791/step, 0.868458 hours remaining, 211.437500 MB of memory in use. ENERGY: 3917400 686.2766 2102.6688 1923.9610 111.0894 -205745.5808 17760.9984 0.0000 0.0000 33906.3159 -149254.2708 296.1123 -183160.5867 -149164.2502 299.3556 46.2462 75.2667 557662.9059 3.3200 3.1869 PRESSURE: 3917600 -127.087 -59.7258 -50.8647 -59.7247 -169.443 55.1368 -50.8655 55.1364 -155.271 GPRESSURE: 3917600 -85.8674 -24.9089 -52.3441 29.2199 -140.448 26.8843 -46.9443 -78.925 -121.832 PRESSAVG: 3917600 35.4984 -27.0356 4.18634 -27.0355 13.103 17.9537 4.18627 17.9536 -41.4076 GPRESSAVG: 3917600 35.5329 -25.6535 3.17036 -27.4631 13.6919 18.0115 4.60346 19.0041 -41.8449 TIMING: 3917600 CPU: 11347.4, 0.00287888/step Wall: 11347.4, 0.00287888/step, 0.865584 hours remaining, 211.437500 MB of memory in use. ENERGY: 3917600 736.3212 2063.6686 1964.2980 117.0299 -205648.2720 17400.6557 0.0000 0.0000 34165.6662 -149200.6324 298.3773 -183366.2986 -149105.9200 298.8093 -150.6003 -116.0490 558793.4516 2.3980 2.4600 PRESSURE: 3917800 113.693 -131.093 90.2554 -131.093 -72.3051 -45.0919 90.2541 -45.0932 229.558 GPRESSURE: 3917800 151.48 -190.409 111.795 -82.0555 -22.4194 -0.448884 41.7333 -45.3055 234.651 PRESSAVG: 3917800 0.119068 -51.6439 -14.531 -51.6439 -20.6782 -20.2449 -14.531 -20.2449 57.3414 GPRESSAVG: 3917800 0.447181 -54.6932 -13.9096 -51.0009 -19.7499 -21.0869 -13.7532 -20.7578 56.2316 TIMING: 3917800 CPU: 11348, 0.00288656/step Wall: 11348, 0.00288656/step, 0.867733 hours remaining, 211.437500 MB of memory in use. ENERGY: 3917800 764.0839 2114.0566 1935.2961 108.4705 -206354.7750 17975.7578 0.0000 0.0000 34309.2086 -149147.9016 299.6309 -183457.1101 -149054.3508 298.8109 90.3151 121.2374 557057.7462 12.2608 12.3096 PRESSURE: 3918000 52.6947 69.2188 134.181 69.2186 197.027 126.202 134.18 126.203 47.8558 GPRESSURE: 3918000 76.295 83.6305 152.1 25.0223 262.565 -10.5447 140.396 226.563 49.9545 PRESSAVG: 3918000 -1.79076 -12.0797 42.4565 -12.0797 32.506 75.0805 42.4566 75.0804 40.2358 GPRESSAVG: 3918000 -2.87998 -10.3012 39.8745 -15.3184 30.6471 76.2014 43.5679 74.9217 42.9297 TIMING: 3918000 CPU: 11348.5, 0.00287942/step Wall: 11348.5, 0.00287942/step, 0.865425 hours remaining, 211.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3918000 765.9930 2094.3485 1957.6499 115.7758 -206356.9469 17908.8217 0.0000 0.0000 34245.5060 -149268.8519 299.0745 -183514.3579 -149174.7721 298.8045 99.1927 129.6049 557723.1114 23.6504 23.5656 PRESSURE: 3918200 45.6715 129.903 -34.2189 129.904 -40.253 80.0516 -34.2174 80.052 -37.8332 GPRESSURE: 3918200 36.321 239.432 84.7636 179.54 -18.6669 21.8104 -82.6495 76.3831 37.9132 PRESSAVG: 3918200 -31.4614 -19.612 1.63246 -19.612 81.4782 13.0003 1.6324 13.0004 -52.3856 GPRESSAVG: 3918200 -29.7156 -21.745 5.65087 -15.0107 80.6599 12.6542 -1.69806 12.6579 -53.8531 TIMING: 3918200 CPU: 11349.1, 0.00287115/step Wall: 11349.1, 0.00287115/step, 0.86278 hours remaining, 211.437500 MB of memory in use. ENERGY: 3918200 753.5525 2025.4286 1951.9739 111.1923 -206013.2261 17820.2310 0.0000 0.0000 34025.6567 -149325.1912 297.1545 -183350.8478 -149229.9451 298.5886 -10.8049 18.5224 556901.3877 -0.7896 -0.9696 PRESSURE: 3918400 56.63 -3.08595 -90.6153 -3.08613 47.2987 1.81098 -90.6153 1.81284 129.784 GPRESSURE: 3918400 99.4959 -35.668 -49.4238 -27.7225 96.4364 45.691 -113.224 -40.7378 143.202 PRESSAVG: 3918400 -28.1477 39.0756 39.0383 39.0756 50.1643 -53.6352 39.0384 -53.6353 -6.60945 GPRESSAVG: 3918400 -28.8746 42.3355 38.4962 36.8518 50.7815 -54.0168 40.7614 -51.5158 -6.33504 TIMING: 3918400 CPU: 11349.7, 0.0028744/step Wall: 11349.7, 0.0028744/step, 0.863599 hours remaining, 211.437500 MB of memory in use. ENERGY: 3918400 764.7199 1995.5982 1946.1028 102.7704 -206349.5927 17960.7511 0.0000 0.0000 34358.7403 -149220.9099 300.0634 -183579.6503 -149124.5214 299.1163 77.9041 113.0448 556825.4680 5.1357 5.1906 PRESSURE: 3918600 4.81261 76.8735 -62.0146 76.8737 67.0408 -85.326 -62.0145 -85.3258 68.4514 GPRESSURE: 3918600 33.4923 45.7555 -56.6389 45.8021 78.3359 -123.722 43.6674 -80.0829 125.169 PRESSAVG: 3918600 24.1117 -5.58652 -32.4113 -5.58656 55.7994 -11.0829 -32.4113 -11.083 -37.3802 GPRESSAVG: 3918600 24.7573 -7.12147 -32.3811 -6.63564 55.9441 -11.774 -34.0803 -12.404 -38.5311 TIMING: 3918600 CPU: 11350.3, 0.00285022/step Wall: 11350.3, 0.00285022/step, 0.856174 hours remaining, 211.437500 MB of memory in use. ENERGY: 3918600 719.5542 2126.8086 1934.7597 93.0387 -205845.9331 17700.7072 0.0000 0.0000 34203.2698 -149067.7949 298.7057 -183271.0647 -148967.9682 299.5333 46.7683 78.9990 556962.6702 14.1770 14.0568 PRESSURE: 3918800 -195.398 -273.773 174.048 -273.772 -76.1316 -67.3645 174.049 -67.3647 -253.502 GPRESSURE: 3918800 -138.878 -148.938 214.857 -369.655 -79.6171 -57.5169 177.351 -64.6562 -214.047 PRESSAVG: 3918800 -0.840594 -40.9837 4.92602 -40.9838 44.6815 34.1593 4.92607 34.1593 -59.7099 GPRESSAVG: 3918800 -0.892969 -38.73 5.18653 -41.518 44.6864 35.127 6.70686 35.5163 -59.5022 TIMING: 3918800 CPU: 11350.8, 0.00285886/step Wall: 11350.8, 0.00285886/step, 0.85861 hours remaining, 211.437500 MB of memory in use. ENERGY: 3918800 759.3941 2067.7746 1957.7245 110.4493 -205392.1665 17507.8134 0.0000 0.0000 33891.9789 -149097.0317 295.9871 -182989.0105 -149003.6416 299.8556 -175.0105 -144.1807 557315.5463 -5.2896 -5.2363 PRESSURE: 3919000 -67.1687 90.8524 33.7072 90.8526 -149.803 7.43822 33.7071 7.43773 -158.24 GPRESSURE: 3919000 -10.8559 46.3204 37.1367 84.3393 -116.292 -41.5303 19.0995 85.8626 -136.544 PRESSAVG: 3919000 17.9274 -17.771 -36.0661 -17.771 -65.1567 41.599 -36.0661 41.5989 24.617 GPRESSAVG: 3919000 17.9585 -20.529 -36.8039 -18.9414 -65.8354 39.9952 -36.3649 39.8903 25.2565 TIMING: 3919000 CPU: 11351.4, 0.00288002/step Wall: 11351.4, 0.00288002/step, 0.864807 hours remaining, 211.437500 MB of memory in use. ENERGY: 3919000 723.8672 2079.4134 1926.2559 111.2651 -205387.5191 17287.3536 0.0000 0.0000 34317.5265 -148941.8375 299.7035 -183259.3640 -148843.9127 300.1435 -125.0705 -87.8973 556578.8857 -7.5374 -7.5401 PRESSURE: 3919200 31.2908 -99.513 -75.245 -99.512 -10.4604 109.521 -75.2451 109.522 144.788 GPRESSURE: 3919200 23.4912 -58.0126 -85.48 -148.231 54.139 167.351 -88.8023 32.7037 188.545 PRESSAVG: 3919200 -37.9282 36.5535 -2.18478 36.5536 18.3428 48.7494 -2.18477 48.7493 28.4046 GPRESSAVG: 3919200 -38.3028 34.7106 -1.77773 38.9859 17.8689 51.663 -3.08297 47.8823 28.7958 TIMING: 3919200 CPU: 11352, 0.00286799/step Wall: 11352, 0.00286799/step, 0.861033 hours remaining, 211.437500 MB of memory in use. ENERGY: 3919200 707.0347 2072.8079 1958.5835 105.4422 -205891.5811 17805.5741 0.0000 0.0000 34404.5594 -148837.5791 300.4636 -183242.1386 -148733.8362 300.0334 55.2061 88.7252 557105.7401 2.9398 2.7873 PRESSURE: 3919400 -2.62694 186.833 -145.502 186.833 46.188 6.09883 -145.502 6.10034 -84.135 GPRESSURE: 3919400 24.837 113.248 -110.458 167.014 110.257 53.1819 -155.375 -63.1853 -84.2664 PRESSAVG: 3919400 35.3147 -1.63124 2.2431 -1.63128 -42.3009 -1.47389 2.24314 -1.47386 28.8651 GPRESSAVG: 3919400 35.3413 0.697991 1.70252 -1.62907 -41.6191 -3.98381 2.80353 1.17784 28.6503 TIMING: 3919400 CPU: 11352.6, 0.0028487/step Wall: 11352.6, 0.0028487/step, 0.855084 hours remaining, 211.437500 MB of memory in use. ENERGY: 3919400 758.2769 2046.9269 1915.9762 123.5577 -206213.1416 17807.0225 0.0000 0.0000 34703.0639 -148858.3175 303.0705 -183561.3815 -148766.6673 300.4330 -13.5246 16.9426 557462.8438 7.2929 7.4575 PRESSURE: 3919600 28.3134 127.383 -111.659 127.383 186.064 -41.119 -111.66 -41.1207 28.1266 GPRESSURE: 3919600 53.3081 76.1795 -138.847 85.853 204.1 37.4881 -185.625 -10.9255 75.4235 PRESSAVG: 3919600 -53.8115 -40.6378 -28.0102 -40.6378 55.789 27.0911 -28.0102 27.091 -19.4141 GPRESSAVG: 3919600 -52.8598 -41.1664 -27.2924 -41.4242 55.2473 27.9488 -29.1794 26.1955 -19.3482 TIMING: 3919600 CPU: 11353.1, 0.00285874/step Wall: 11353.1, 0.00285874/step, 0.857939 hours remaining, 211.437500 MB of memory in use. ENERGY: 3919600 739.3906 2128.7326 1922.3289 118.1432 -205774.5352 17691.1455 0.0000 0.0000 34405.9813 -148768.8132 300.4760 -183174.7945 -148674.7583 300.8058 80.8347 110.9438 556605.8487 -5.8122 -5.6536 PRESSURE: 3919800 -160.067 -26.1537 142.771 -26.1536 -174.089 -121.865 142.77 -121.866 220.462 GPRESSURE: 3919800 -103.836 3.68004 154.256 6.21634 -125.239 -137.914 163.397 -135.849 196.774 PRESSAVG: 3919800 24.0639 11.4969 -6.21021 11.4969 44.2407 23.1505 -6.21015 23.1505 -36.2258 GPRESSAVG: 3919800 24.0156 11.971 -6.87418 11.0141 44.8106 21.5518 -5.68344 21.9156 -35.4367 TIMING: 3919800 CPU: 11353.7, 0.00286748/step Wall: 11353.7, 0.00286748/step, 0.860402 hours remaining, 211.437500 MB of memory in use. ENERGY: 3919800 754.2700 2099.2166 1942.9406 115.9602 -205901.7335 17674.8281 0.0000 0.0000 34363.1763 -148951.3417 300.1022 -183314.5180 -148854.5183 300.6616 -37.8981 -10.7669 556927.3977 10.6929 11.1299 PRESSURE: 3920000 -141.674 -54.545 -20.782 -54.5439 -223.298 15.0846 -20.7831 15.0857 59.8722 GPRESSURE: 3920000 -95.3473 -96.2302 0.306669 -17.5022 -225.626 91.3495 62.3208 -47.0124 114.043 PRESSAVG: 3920000 44.0411 41.1232 22.704 41.1232 -80.3448 17.7718 22.7041 17.7718 91.9526 GPRESSAVG: 3920000 43.3698 41.2258 21.3521 40.9175 -79.4038 18.2651 23.3171 17.6794 91.2318 TIMING: 3920000 CPU: 11354.3, 0.00287329/step Wall: 11354.3, 0.00287329/step, 0.861986 hours remaining, 211.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3920000 730.7015 2147.0855 1938.9003 114.3896 -206009.0505 17726.3479 0.0000 0.0000 34382.1547 -148969.4709 300.2679 -183351.6256 -148877.8492 300.0583 -101.7001 -68.9766 558075.5607 18.5496 18.3993 PRESSURE: 3920200 104.417 -95.1525 -106.505 -95.1536 -156.509 -63.4457 -106.505 -63.4455 28.0082 GPRESSURE: 3920200 140.504 -12.2808 -67.9131 -210.974 -122.905 -160.358 -96.9366 -5.62435 63.7945 PRESSAVG: 3920200 -12.759 20.8786 -10.289 20.8786 2.79377 -63.8267 -10.289 -63.8267 -1.1733 GPRESSAVG: 3920200 -11.9339 20.6972 -10.2523 22.1011 1.31193 -64.2883 -10.1403 -60.1142 -0.918064 TIMING: 3920200 CPU: 11354.8, 0.00287354/step Wall: 11354.8, 0.00287354/step, 0.861904 hours remaining, 211.437500 MB of memory in use. ENERGY: 3920200 745.9472 2077.2148 1963.6259 110.5543 -205934.1075 17735.9225 0.0000 0.0000 34245.4739 -149055.3690 299.0742 -183300.8428 -148957.3927 300.0073 -8.0278 27.1314 556718.4853 -3.7129 -3.8467 LDB: ============= START OF LOAD BALANCING ============== 11358.2 LDB: ============== END OF LOAD BALANCING =============== 11358.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11358.2 LDB: ============= START OF LOAD BALANCING ============== 11358.5 LDB: Largest compute 4792 load 0.025870 is 21.9% of average load 0.118001 LDB: Average compute 0.001718 is 1.5% of average load 0.118001 LDB: TIME 11358.5 LOAD: AVG 0.118001 MAX 0.178086 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.305 MB LDB: TIME 11358.5 LOAD: AVG 0.118001 MAX 0.178086 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.508 MB LDB: TIME 11358.5 LOAD: AVG 0.118001 MAX 0.178086 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.508 MB LDB: ============== END OF LOAD BALANCING =============== 11358.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11358.5 PRESSURE: 3920400 72.6408 11.677 222.587 11.6764 28.6945 -49.3008 222.589 -49.3013 161.652 GPRESSURE: 3920400 118.624 3.1845 169.707 7.70295 52.6497 -35.3668 286.343 -50.2626 183.477 PRESSAVG: 3920400 -4.16362 -82.0801 2.83047 -82.08 -30.4457 -5.10768 2.83038 -5.10769 -4.47462 GPRESSAVG: 3920400 -5.02997 -82.9062 4.44205 -81.4699 -30.5462 -4.7295 2.61834 -9.27012 -4.01783 TIMING: 3920400 CPU: 11355.4, 0.00293039/step Wall: 11355.4, 0.00293039/step, 0.878791 hours remaining, 213.363281 MB of memory in use. ENERGY: 3920400 755.8606 2109.1697 1966.3229 101.4005 -206358.0786 18000.2649 0.0000 0.0000 34320.0366 -149105.0234 299.7254 -183425.0600 -149009.7337 299.9339 87.6625 118.2503 556260.0785 -13.0280 -13.1980 PRESSURE: 3920600 -235.302 33.0985 83.52 33.0982 123.735 193.321 83.5193 193.319 -159.692 GPRESSURE: 3920600 -173.511 -29.3815 76.4812 65.8944 123.905 149.927 62.2085 166.655 -135.27 PRESSAVG: 3920600 39.7317 5.07729 21.7261 5.07743 0.0768376 46.6372 21.7261 46.6372 -34.0024 GPRESSAVG: 3920600 40.8375 6.75906 21.0549 2.51314 -0.207981 46.2092 22.7839 48.2387 -34.1025 TIMING: 3920600 CPU: 11356, 0.00286483/step Wall: 11356, 0.00286483/step, 0.858972 hours remaining, 213.363281 MB of memory in use. ENERGY: 3920600 751.8536 2103.2527 1962.1811 107.1430 -206184.9465 17846.5559 0.0000 0.0000 34279.7315 -149134.2287 299.3734 -183413.9602 -149042.3035 299.2186 -90.4198 -61.6252 558834.5124 1.9354 2.1757 PRESSURE: 3920800 102.005 80.7473 -172.829 80.7469 113.699 259.801 -172.829 259.802 -16.2156 GPRESSURE: 3920800 119.871 82.2605 -235.015 113.027 136.92 301.264 -94.7183 205.923 22.198 PRESSAVG: 3920800 -33.392 13.278 7.94622 13.2781 -8.67432 37.7037 7.94616 37.7037 -29.1485 GPRESSAVG: 3920800 -33.8079 12.4868 6.96979 15.5442 -8.56136 37.0073 9.44447 37.9082 -28.7736 TIMING: 3920800 CPU: 11356.6, 0.00285757/step Wall: 11356.6, 0.00285757/step, 0.856637 hours remaining, 213.363281 MB of memory in use. ENERGY: 3920800 758.6095 2069.6767 1974.8906 109.7808 -206412.4088 18012.0235 0.0000 0.0000 34380.0582 -149107.3695 300.2496 -183487.4277 -149010.3752 299.8963 66.4963 92.9964 557257.0366 -23.7383 -23.7143 PRESSURE: 3921000 -12.2592 -74.0203 -60.2205 -74.0215 -116.055 126.858 -60.2182 126.86 147.264 GPRESSURE: 3921000 48.2378 73.0531 32.6251 -222.537 -94.9295 115.977 -59.3963 207.645 169.195 PRESSAVG: 3921000 45.3132 3.74557 58.9228 3.74547 13.6057 88.5597 58.9229 88.5597 -34.4206 GPRESSAVG: 3921000 45.84 1.98773 62.4495 2.05728 13.967 89.3129 54.7192 88.3084 -34.7556 TIMING: 3921000 CPU: 11357.1, 0.00286613/step Wall: 11357.1, 0.00286613/step, 0.859042 hours remaining, 213.363281 MB of memory in use. ENERGY: 3921000 751.0607 2065.6186 1960.6104 107.7951 -206279.2406 17898.1177 0.0000 0.0000 34499.6018 -148996.4365 301.2936 -183496.0382 -148906.4748 300.2489 6.3166 40.8343 557176.2387 8.1661 8.3505 PRESSURE: 3921200 -138.719 -186.699 85.7833 -186.7 -151.241 -100.723 85.7852 -100.724 -300.757 GPRESSURE: 3921200 -160.968 -192.638 107.242 -181.642 -132.186 -185.367 27.4849 -92.7263 -208.106 PRESSAVG: 3921200 -16.878 -28.4329 -7.48233 -28.4329 5.42548 52.1484 -7.48235 52.1484 -18.3009 GPRESSAVG: 3921200 -17.3434 -27.4182 -10.0312 -25.8983 6.4327 51.4062 -5.66335 52.2044 -18.9786 TIMING: 3921200 CPU: 11357.7, 0.00285593/step Wall: 11357.7, 0.00285593/step, 0.855828 hours remaining, 213.363281 MB of memory in use. ENERGY: 3921200 734.3981 2056.5181 1953.2437 115.8751 -205967.3183 17525.8708 0.0000 0.0000 34437.5383 -149143.8742 300.7516 -183581.4126 -149049.7257 299.5772 -196.9058 -167.0866 556662.9968 -9.9178 -9.9631 PRESSURE: 3921400 -329.784 9.97303 -10.5011 9.97445 -185.867 -82.4611 -10.5009 -82.461 -172.944 GPRESSURE: 3921400 -303.413 -23.7223 -39.7608 64.5569 -101.573 -49.5382 5.19405 -69.8418 -175.855 PRESSAVG: 3921400 57.7649 -19.7931 8.28815 -19.793 33.1224 2.82776 8.28812 2.82781 -61.4267 GPRESSAVG: 3921400 58.5808 -17.3192 7.26474 -21.4161 31.0314 4.36905 7.42684 1.68725 -60.4066 TIMING: 3921400 CPU: 11358.3, 0.00287524/step Wall: 11358.3, 0.00287524/step, 0.861455 hours remaining, 213.363281 MB of memory in use. ENERGY: 3921400 754.2932 2113.4856 1934.0192 101.3219 -205912.1832 17565.5605 0.0000 0.0000 34405.2369 -149038.2659 300.4695 -183443.5027 -148945.5743 299.9953 -229.5317 -193.6138 558368.3285 9.8202 9.7352 PRESSURE: 3921600 -53.7324 -118.327 7.81992 -118.328 -132.339 -35.8486 7.81858 -35.8498 119.929 GPRESSURE: 3921600 -29.0059 -63.3407 11.3777 -115.831 -64.9059 -60.0966 -73.3384 10.5303 124.608 PRESSAVG: 3921600 33.5209 -12.112 23.5031 -12.112 -29.69 30.9735 23.5031 30.9735 -6.87733 GPRESSAVG: 3921600 32.756 -14.3565 23.5361 -11.2621 -27.9882 29.6814 24.3873 31.3485 -7.74772 TIMING: 3921600 CPU: 11358.9, 0.00288257/step Wall: 11358.9, 0.00288256/step, 0.863488 hours remaining, 213.363281 MB of memory in use. ENERGY: 3921600 722.0837 2083.7260 1943.1733 113.5719 -205934.3389 17745.1161 0.0000 0.0000 34229.2630 -149097.4049 298.9327 -183326.6679 -149000.4396 299.4207 -22.0477 10.2320 556423.8797 -1.0155 -0.9933 PRESSURE: 3921800 -104.175 -145.207 43.4918 -145.208 -200.858 -8.74115 43.4918 -8.74346 -76.4607 GPRESSURE: 3921800 -167.136 -237.337 -29.5088 -73.1987 -118.006 45.9094 146.817 -21.2485 -9.64366 PRESSAVG: 3921800 79.9337 -27.8402 25.8624 -27.8403 -49.3151 10.018 25.8623 10.0179 -32.543 GPRESSAVG: 3921800 79.8427 -27.8368 27.5658 -27.9815 -50.3216 11.0168 24.4109 11.2138 -31.5583 TIMING: 3921800 CPU: 11359.4, 0.00286274/step Wall: 11359.4, 0.00286274/step, 0.857391 hours remaining, 213.363281 MB of memory in use. ENERGY: 3921800 754.6362 2099.6773 1948.2552 106.4592 -205934.1388 17499.3543 0.0000 0.0000 34359.4794 -149166.2772 300.0699 -183525.7565 -149066.6709 299.8262 -127.1645 -98.2622 557417.3397 -0.6415 -0.6791 PRESSURE: 3922000 494.702 -52.9158 22.6401 -52.9166 214.568 -77.8731 22.6393 -77.8727 162.861 GPRESSURE: 3922000 564.731 -16.7411 72.8792 -79.4947 246.699 -143.817 -10.2437 8.10635 160.946 PRESSAVG: 3922000 65.6938 -36.5857 -5.89144 -36.5856 9.43016 6.65057 -5.89147 6.65066 -5.35442 GPRESSAVG: 3922000 65.0629 -37.0244 -7.47759 -36.7034 9.66719 4.81996 -5.75938 7.76453 -5.28237 TIMING: 3922000 CPU: 11360, 0.0028629/step Wall: 11360, 0.0028629/step, 0.857278 hours remaining, 213.363281 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: 3922000 719.4431 2116.7146 1934.5139 105.5321 -206511.6829 18036.7808 0.0000 0.0000 34471.2685 -149127.4298 301.0462 -183598.6983 -149028.9886 298.9450 290.7105 324.1252 555593.0114 23.2565 23.1492 PRESSURE: 3922200 -182.595 -17.785 -155.402 -17.7844 -110.777 -63.9778 -155.403 -63.9781 -224.041 GPRESSURE: 3922200 -126.849 18.0788 -183.177 -34.2518 -91.2119 -47.7585 -65.3276 -76.873 -202.091 PRESSAVG: 3922200 36.0498 32.9477 -2.7666 32.9477 -2.81765 -57.9974 -2.76653 -57.9973 -10.6578 GPRESSAVG: 3922200 35.456 33.5901 -0.299861 32.1804 -0.925216 -56.6944 -2.96098 -59.5996 -11.3407 TIMING: 3922200 CPU: 11360.6, 0.00289246/step Wall: 11360.6, 0.00289246/step, 0.865972 hours remaining, 213.363281 MB of memory in use. ENERGY: 3922200 702.2557 2086.2322 1960.3591 100.1313 -205520.9658 17247.8436 0.0000 0.0000 34224.7654 -149199.3786 298.8934 -183424.1439 -149105.0962 299.0580 -172.4712 -140.0507 557713.8550 7.5248 7.7300 PRESSURE: 3922400 -8.36968 -33.6101 -371.834 -33.6094 -8.89694 -10.6941 -371.834 -10.6957 158.661 GPRESSURE: 3922400 17.2207 -100.987 -415.131 1.3252 16.2185 -36.0149 -320.465 -25.3167 206.223 PRESSAVG: 3922400 100.479 17.8888 -60.9607 17.8887 3.14633 -21.5481 -60.9608 -21.5479 -84.3729 GPRESSAVG: 3922400 101.678 17.2735 -63.0067 18.2491 1.60261 -19.264 -62.075 -23.9945 -84.0182 TIMING: 3922400 CPU: 11361.2, 0.00288402/step Wall: 11361.2, 0.00288402/step, 0.863282 hours remaining, 213.363281 MB of memory in use. ENERGY: 3922400 749.1843 2083.7196 1919.0766 101.5594 -206148.4736 17903.4951 0.0000 0.0000 34088.1424 -149303.2962 297.7002 -183391.4386 -149199.3270 298.9236 47.1316 79.8873 558067.5950 6.4174 6.4207 PRESSURE: 3922600 -471.102 -60.5368 -269.577 -60.5378 -283.961 -42.7692 -269.578 -42.7692 -100.172 GPRESSURE: 3922600 -399.839 -90.0434 -235.642 -132.976 -271.852 -39.8599 -221.164 17.0424 -80.1981 PRESSAVG: 3922600 9.68124 14.0518 -30.8053 14.0518 54.183 -37.9318 -30.8053 -37.9319 -30.9691 GPRESSAVG: 3922600 9.2312 14.1868 -31.1405 12.922 55.6006 -39.8287 -28.7884 -35.9884 -32.3274 TIMING: 3922600 CPU: 11361.7, 0.00287076/step Wall: 11361.7, 0.00287076/step, 0.859155 hours remaining, 213.363281 MB of memory in use. ENERGY: 3922600 762.7858 2114.3012 1905.4885 116.4989 -205650.0775 17271.6670 0.0000 0.0000 34324.7892 -149154.5468 299.7669 -183479.3360 -149059.1111 299.2942 -285.0783 -250.6299 558968.1073 10.9650 10.8348 PRESSURE: 3922800 155.121 -156.844 -162.79 -156.844 -17.8688 -163.554 -162.789 -163.553 -183.226 GPRESSURE: 3922800 165.474 -237.785 -187.396 -96.7291 20.1763 -190.426 -181.574 -110.018 -132.688 PRESSAVG: 3922800 -26.3852 -56.6205 -12.4187 -56.6204 46.87 -13.6981 -12.4188 -13.6981 -25.0828 GPRESSAVG: 3922800 -26.2382 -54.4974 -11.7417 -55.7659 45.2379 -13.2372 -12.2113 -11.9551 -23.9309 TIMING: 3922800 CPU: 11362.3, 0.00286953/step Wall: 11362.3, 0.00286954/step, 0.858629 hours remaining, 213.363281 MB of memory in use. ENERGY: 3922800 728.6529 2072.8855 1939.3774 110.7747 -206214.3166 17901.1313 0.0000 0.0000 34201.4093 -149260.0856 298.6894 -183461.4949 -149164.5214 299.4694 -15.3245 17.6541 557678.4100 -1.5327 -1.6437 PRESSURE: 3923000 -190.964 34.5755 -14.8674 34.576 -102.167 268.108 -14.8691 268.108 -40.3691 GPRESSURE: 3923000 -173.668 82.9028 45.8584 -5.80128 -14.7619 155.17 -111.499 344.572 -35.8949 PRESSAVG: 3923000 -9.79061 2.59408 -3.55205 2.59404 56.4772 41.3006 -3.55211 41.3005 -67.788 GPRESSAVG: 3923000 -10.9507 2.05319 -4.93571 0.444531 57.6162 40.5557 -4.24308 41.1046 -68.0761 TIMING: 3923000 CPU: 11362.9, 0.00287049/step Wall: 11362.9, 0.00287049/step, 0.858754 hours remaining, 213.363281 MB of memory in use. ENERGY: 3923000 700.8465 2099.3227 1950.4263 101.7844 -205753.8260 17482.0513 0.0000 0.0000 33987.7642 -149431.6305 296.8236 -183419.3947 -149344.5337 298.8488 -111.1666 -74.7749 558324.7246 -7.0338 -7.1369 PRESSURE: 3923200 21.1256 4.56301 -15.0492 4.56234 138.142 -62.4587 -15.0492 -62.4605 -16.9116 GPRESSURE: 3923200 46.171 -5.46937 -90.1812 56.9188 150.836 -84.7935 50.8021 -45.7211 29.4317 PRESSAVG: 3923200 -43.3833 26.6163 38.7136 26.6164 85.8463 7.53485 38.7137 7.53493 -46.872 GPRESSAVG: 3923200 -43.1899 24.4785 39.8665 27.8734 84.9347 9.19994 40.2026 4.70492 -46.8585 TIMING: 3923200 CPU: 11363.5, 0.0028798/step Wall: 11363.5, 0.0028798/step, 0.861379 hours remaining, 213.363281 MB of memory in use. ENERGY: 3923200 752.8288 2110.4074 1958.0001 111.3396 -206484.9530 18121.7265 0.0000 0.0000 34125.7589 -149304.8918 298.0287 -183430.6506 -149215.0133 298.3806 47.4519 75.4796 558536.1010 -1.4696 -1.7046 PRESSURE: 3923400 -90.4502 170.282 148.503 170.282 -117.914 -27.2972 148.502 -27.2996 43.2291 GPRESSURE: 3923400 -51.1064 156.646 109.47 159.593 -143.853 1.96421 70.4431 -4.12573 127.421 PRESSAVG: 3923400 18.5506 34.7679 35.9968 34.7679 -23.233 -9.4313 35.9968 -9.43125 9.93724 GPRESSAVG: 3923400 17.7768 35.6356 36.6636 34.6788 -22.8668 -10.2219 32.9115 -6.52199 10.6507 TIMING: 3923400 CPU: 11364, 0.002882/step Wall: 11364, 0.002882/step, 0.861878 hours remaining, 213.363281 MB of memory in use. ENERGY: 3923400 701.5682 2031.7167 1972.3148 101.4858 -206263.9725 17677.2013 0.0000 0.0000 34400.7583 -149378.9274 300.4304 -183779.6857 -149271.5618 298.8163 -55.0450 -22.5127 557284.9473 1.7516 1.8536 PRESSURE: 3923600 -94.5471 45.8084 -207.153 45.8085 52.959 64.6042 -207.153 64.6051 143.825 GPRESSURE: 3923600 -63.2676 11.6434 -155.374 67.9898 122.869 11.4049 -247.819 101.336 149.192 PRESSAVG: 3923600 16.3598 43.2677 19.9672 43.2676 -31.9864 14.1587 19.9671 14.1587 15.8528 GPRESSAVG: 3923600 17.3936 43.2276 18.9279 43.9262 -32.9003 12.7859 22.9017 12.1372 15.9142 TIMING: 3923600 CPU: 11364.6, 0.002882/step Wall: 11364.6, 0.002882/step, 0.861719 hours remaining, 213.363281 MB of memory in use. ENERGY: 3923600 763.6747 2111.2546 1946.5746 94.7307 -206243.2084 17869.9309 0.0000 0.0000 34126.5760 -149330.4669 298.0359 -183457.0429 -149239.7037 298.5818 34.0789 69.5979 557370.6443 0.0754 0.1358 PRESSURE: 3923800 -118.972 -48.6272 -186.011 -48.6275 -71.5003 6.44593 -186.01 6.44712 -190.908 GPRESSURE: 3923800 -41.0016 -114.96 -179.535 -36.8374 -55.1441 89.7393 -141.471 -41.7226 -182.544 PRESSAVG: 3923800 -11.6202 -20.762 -73.5085 -20.7621 -19.8452 -14.8417 -73.5085 -14.8417 -24.075 GPRESSAVG: 3923800 -12.3869 -20.5102 -72.5224 -20.6935 -18.5686 -13.7374 -74.0557 -12.6761 -24.5519 TIMING: 3923800 CPU: 11365.2, 0.00287152/step Wall: 11365.2, 0.00287152/step, 0.858425 hours remaining, 213.363281 MB of memory in use. ENERGY: 3923800 770.3341 2108.1312 1956.9940 105.2395 -206117.8340 17624.8753 0.0000 0.0000 34058.5218 -149493.7381 297.4415 -183552.2599 -149401.7158 299.2104 -127.1267 -92.8966 557434.1433 -18.5134 -18.5025 PRESSURE: 3924000 -136.324 109.423 -76.3507 109.423 51.4088 -191.839 -76.3508 -191.84 -91.4771 GPRESSURE: 3924000 -60.4489 90.8035 -15.9696 137.499 75.8168 -221.322 -170.645 -151.336 -86.1225 PRESSAVG: 3924000 50.9355 45.2476 -30.6401 45.2475 49.1747 -43.789 -30.6401 -43.789 -65.4589 GPRESSAVG: 3924000 49.8115 44.5399 -30.8469 44.4466 49.9301 -46.3329 -31.2674 -43.6018 -64.7603 TIMING: 3924000 CPU: 11365.8, 0.00287268/step Wall: 11365.8, 0.00287268/step, 0.858613 hours remaining, 213.363281 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: 3924000 734.3878 2065.9678 1940.0860 110.2515 -206229.8995 17893.9997 0.0000 0.0000 33929.7081 -149555.4987 296.3166 -183485.2067 -149465.7796 298.5680 -58.7973 -23.5849 557991.1073 11.5505 11.6604 PRESSURE: 3924200 -239.35 -72.7991 -24.7933 -72.8003 -100.317 150.664 -24.7935 150.662 -77.7415 GPRESSURE: 3924200 -221.619 -82.6276 -87.5416 -11.8291 -46.4785 238.364 31.4359 126.307 -56.0855 PRESSAVG: 3924200 -36.9332 4.56806 -32.0521 4.56804 70.3235 -23.5243 -32.0521 -23.5243 -40.9907 GPRESSAVG: 3924200 -36.2735 4.3482 -33.1518 5.34698 68.7103 -20.7643 -31.2448 -25.5678 -40.5494 TIMING: 3924200 CPU: 11366.3, 0.00288193/step Wall: 11366.3, 0.00288193/step, 0.861216 hours remaining, 213.363281 MB of memory in use. ENERGY: 3924200 765.2592 2096.9279 1954.2659 114.9320 -206586.9406 17918.8330 0.0000 0.0000 34219.0253 -149517.6973 298.8433 -183736.7226 -149426.1833 298.5499 -139.1363 -108.0608 556674.3084 -2.5335 -2.7042 LDB: ============= START OF LOAD BALANCING ============== 11369.7 LDB: ============== END OF LOAD BALANCING =============== 11369.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11369.7 LDB: ============= START OF LOAD BALANCING ============== 11370 LDB: Largest compute 4792 load 0.026566 is 22.5% of average load 0.118098 LDB: Average compute 0.001726 is 1.5% of average load 0.118098 LDB: TIME 11370 LOAD: AVG 0.118098 MAX 0.179184 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.586 MB LDB: TIME 11370 LOAD: AVG 0.118098 MAX 0.179184 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.586 MB LDB: TIME 11370 LOAD: AVG 0.118098 MAX 0.179184 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.586 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11370 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11370 PRESSURE: 3924400 109.617 -43.9283 17.5412 -43.9289 -107.922 2.79129 17.5414 2.79313 245.052 GPRESSURE: 3924400 166.05 -1.69703 -22.2591 26.9791 -95.1993 -13.7817 21.3264 81.1076 279.949 PRESSAVG: 3924400 46.1138 -2.93854 -7.67466 -2.93841 5.03444 -15.7858 -7.67459 -15.7859 -38.7339 GPRESSAVG: 3924400 46.4879 -1.52565 -6.94005 -4.16786 4.87191 -15.373 -9.56235 -17.9519 -38.767 TIMING: 3924400 CPU: 11366.9, 0.00292872/step Wall: 11366.9, 0.00292872/step, 0.875038 hours remaining, 211.105469 MB of memory in use. ENERGY: 3924400 742.1088 2054.4445 1951.3979 106.7779 -206378.9083 17882.4894 0.0000 0.0000 34246.5940 -149395.0959 299.0840 -183641.6899 -149298.7374 298.1119 82.2492 116.9331 556674.7082 4.1381 4.1976 PRESSURE: 3924600 -39.1128 67.0481 125.564 67.0473 -59.8929 -207.827 125.564 -207.827 -105.782 GPRESSURE: 3924600 35.367 131.238 144.926 130.671 -43.2143 -135.395 81.8881 -222.635 -113.869 PRESSAVG: 3924600 -24.37 -35.2737 -12.9029 -35.2737 1.85469 -16.4895 -12.9028 -16.4895 4.69047 GPRESSAVG: 3924600 -24.742 -35.4511 -13.6416 -34.8397 3.18962 -18.8331 -13.1622 -14.9575 3.0108 TIMING: 3924600 CPU: 11367.5, 0.00289625/step Wall: 11367.5, 0.00289625/step, 0.865174 hours remaining, 211.105469 MB of memory in use. ENERGY: 3924600 736.8112 2107.5314 1966.6622 109.8263 -206524.1087 17730.1724 0.0000 0.0000 34333.6587 -149539.4465 299.8444 -183873.1052 -149444.8216 298.4198 -68.2624 -40.5723 557402.9137 -5.9416 -6.1805 PRESSURE: 3924800 -20.6233 27.8121 40.588 27.8114 -107.281 43.254 40.5876 43.2545 118.601 GPRESSURE: 3924800 61.4823 32.6843 50.4436 68.5671 -74.4537 49.6073 142.073 86.3548 104.111 PRESSAVG: 3924800 25.5061 -33.4038 -8.61743 -33.4038 -4.95136 17.6726 -8.61748 17.6727 -26.7923 GPRESSAVG: 3924800 25.5455 -32.8474 -10.1543 -32.8083 -5.33206 18.039 -6.43683 18.1997 -25.6938 TIMING: 3924800 CPU: 11368.1, 0.00286889/step Wall: 11368.1, 0.00286889/step, 0.856842 hours remaining, 211.105469 MB of memory in use. ENERGY: 3924800 737.0186 2045.9569 1969.8286 114.8529 -206591.0711 17738.4700 0.0000 0.0000 34361.8103 -149623.1339 300.0902 -183984.9442 -149522.7609 298.8687 -3.1013 30.3800 556470.3774 -2.0792 -1.8268 PRESSURE: 3925000 -103.528 -37.6344 37.2494 -37.6348 149.646 7.35908 37.2494 7.36 -86.5571 GPRESSURE: 3925000 -73.2092 -10.4906 -24.5638 -77.4588 182.204 73.1891 50.3547 -12.2859 -44.1476 PRESSAVG: 3925000 20.918 30.7883 -47.7095 30.7883 -8.98012 42.2433 -47.7094 42.2433 2.69826 GPRESSAVG: 3925000 20.7861 31.1902 -46.7784 29.7427 -8.82969 42.3172 -48.6705 42.1359 2.81149 TIMING: 3925000 CPU: 11368.7, 0.00288384/step Wall: 11368.7, 0.00288384/step, 0.861148 hours remaining, 211.105469 MB of memory in use. ENERGY: 3925000 784.1394 2038.8028 1950.9526 104.1880 -206775.4520 18041.0557 0.0000 0.0000 34218.8516 -149637.4619 298.8417 -183856.3135 -149541.6108 297.9998 -13.4797 21.6158 557546.2961 4.8787 4.9226 PRESSURE: 3925200 -90.1346 -87.0051 8.86667 -87.0057 -225.453 -0.836751 8.86655 -0.837432 -86.1371 GPRESSURE: 3925200 -67.8568 -51.3156 -42.9562 -164.45 -236.636 21.0906 -25.8576 21.1273 -8.10848 PRESSAVG: 3925200 6.67283 60.0728 -9.32246 60.0728 17.3786 62.2448 -9.32244 62.2447 -5.52132 GPRESSAVG: 3925200 7.6224 59.862 -8.32599 61.1423 17.4771 62.0849 -12.2404 62.6816 -6.39716 TIMING: 3925200 CPU: 11369.2, 0.00286786/step Wall: 11369.2, 0.00286786/step, 0.856215 hours remaining, 211.105469 MB of memory in use. ENERGY: 3925200 745.9258 2022.1830 1935.1580 98.7110 -206142.6375 17620.2214 0.0000 0.0000 34179.9791 -149540.4592 298.5023 -183720.4383 -149444.1621 297.6976 -133.9084 -104.2005 556467.3733 6.1767 6.2341 PRESSURE: 3925400 -52.5433 -118.12 -33.3594 -118.121 82.166 -13.1392 -33.3589 -13.1396 138.744 GPRESSURE: 3925400 3.66653 -244.561 5.6005 -61.8508 84.0346 29.3005 -68.9786 -49.4464 174.315 PRESSAVG: 3925400 15.1872 -43.1389 -48.1623 -43.1389 25.836 10.5254 -48.1622 10.5254 -23.4344 GPRESSAVG: 3925400 15.7447 -44.0272 -47.8169 -41.8392 24.9741 10.5023 -46.2473 10.1565 -23.1394 TIMING: 3925400 CPU: 11369.8, 0.00288711/step Wall: 11369.8, 0.00288711/step, 0.861803 hours remaining, 211.105469 MB of memory in use. ENERGY: 3925400 782.8017 2129.1730 1937.7070 121.9483 -206611.2818 18058.5487 0.0000 0.0000 34219.7090 -149361.3941 298.8492 -183581.1031 -149263.8196 298.2795 56.1221 87.3386 556030.2694 5.8629 5.8598 PRESSURE: 3925600 266.397 -69.3643 145.96 -69.3634 188.468 -128.367 145.96 -128.365 155.312 GPRESSURE: 3925600 279.513 -149.695 133.31 -24.8314 234.704 -155.527 151.412 -53.1906 185.085 PRESSAVG: 3925600 3.04122 -19.5443 -33.2629 -19.5443 27.0547 -55.5795 -33.2629 -55.5796 -13.0491 GPRESSAVG: 3925600 1.81049 -20.9527 -33.8088 -19.6955 26.5758 -56.5668 -34.6383 -54.8742 -11.3704 TIMING: 3925600 CPU: 11370.4, 0.00285761/step Wall: 11370.4, 0.00285761/step, 0.852839 hours remaining, 211.105469 MB of memory in use. ENERGY: 3925600 715.6064 2113.1658 1943.0562 111.7364 -206510.1533 18107.7866 0.0000 0.0000 34202.5140 -149316.2878 298.6991 -183518.8018 -149224.8715 298.7238 203.3926 233.1010 557849.1936 5.6823 5.6720 PRESSURE: 3925800 83.6431 4.15706 -3.42406 4.15616 -69.7139 -5.95118 -3.42214 -5.95076 -195.46 GPRESSURE: 3925800 72.6641 25.5103 -71.0725 9.5919 15.2541 67.6765 18.8696 -59.4985 -201.503 PRESSAVG: 3925800 -1.33161 -35.5547 23.6029 -35.5546 1.64968 -55.3352 23.6029 -55.3351 4.93991 GPRESSAVG: 3925800 -1.59854 -35.2336 23.2401 -35.0902 3.12481 -53.8933 24.7517 -56.564 3.36941 TIMING: 3925800 CPU: 11371, 0.00285614/step Wall: 11371, 0.00285614/step, 0.85224 hours remaining, 211.105469 MB of memory in use. ENERGY: 3925800 792.2788 2103.3432 1919.5681 116.7796 -206018.9884 17820.4932 0.0000 0.0000 34084.1355 -149182.3902 297.6652 -183266.5256 -149080.7405 298.4381 -60.5101 -37.8616 558533.3690 1.7527 1.6319 PRESSURE: 3926000 -138.568 -46.0361 -65.3069 -46.0355 117.109 80.0156 -65.3049 80.0156 35.8334 GPRESSURE: 3926000 -148.576 -55.8194 -86.258 -85.3512 184.649 95.5152 -87.6784 51.7759 69.2266 PRESSAVG: 3926000 4.13885 -23.8185 -74.4968 -23.8184 0.813466 -88.6864 -74.4968 -88.6864 19.421 GPRESSAVG: 3926000 4.70206 -22.3903 -74.5574 -24.945 -0.541656 -89.8365 -74.5148 -88.2511 20.2614 TIMING: 3926000 CPU: 11371.5, 0.00286657/step Wall: 11371.5, 0.00286657/step, 0.855193 hours remaining, 211.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3926000 719.3380 2063.9048 1942.5121 101.8839 -206127.2130 17924.6835 0.0000 0.0000 34066.2143 -149308.6764 297.5087 -183374.8906 -149205.8391 298.9079 4.7914 35.0999 557437.9296 8.1244 8.1406 PRESSURE: 3926200 45.2868 -81.9541 41.3096 -81.9561 187.787 -65.2176 41.3103 -65.2162 116.282 GPRESSURE: 3926200 44.5859 -88.8111 17.2322 -36.6401 246.373 -59.9895 125.065 -56.7976 144.185 PRESSAVG: 3926200 -16.2311 -44.4617 -8.13926 -44.4617 24.5187 -64.7104 -8.13909 -64.7104 -4.98428 GPRESSAVG: 3926200 -15.6157 -48.0173 -4.87503 -42.4256 24.0465 -64.4841 -10.0553 -61.6231 -5.53741 TIMING: 3926200 CPU: 11372.1, 0.0028705/step Wall: 11372.1, 0.0028705/step, 0.856206 hours remaining, 211.105469 MB of memory in use. ENERGY: 3926200 768.6382 2043.2776 1931.6553 121.0940 -206445.5847 18063.0148 0.0000 0.0000 34200.8871 -149317.0177 298.6849 -183517.9048 -149215.8847 298.9198 116.4520 145.0482 557094.7358 1.1011 0.9645 PRESSURE: 3926400 -391.044 -134.195 97.024 -134.195 -186.658 -9.08119 97.0236 -9.07968 53.7576 GPRESSURE: 3926400 -365.666 -110.488 115.591 -112.127 -138.98 -12.1288 105.205 -37.0496 87.7257 PRESSAVG: 3926400 -25.9071 -26.1819 -6.05923 -26.1819 38.9965 -40.6639 -6.0593 -40.6639 24.9796 GPRESSAVG: 3926400 -25.5002 -22.503 -6.70285 -27.4129 39.2402 -39.9617 -5.44795 -42.0489 24.6365 TIMING: 3926400 CPU: 11372.7, 0.00287562/step Wall: 11372.7, 0.00287562/step, 0.857575 hours remaining, 211.105469 MB of memory in use. ENERGY: 3926400 767.1455 2079.9654 1944.6330 108.8927 -206372.8083 17740.4036 0.0000 0.0000 34217.8307 -149513.9374 298.8328 -183731.7681 -149415.6247 299.0985 -174.6484 -138.9735 558267.2045 12.6896 12.7922 PRESSURE: 3926600 -4.44893 -51.0145 132.132 -51.0158 -113.456 6.01586 132.134 6.01664 173.573 GPRESSURE: 3926600 64.6255 -55.3913 167.444 -16.4271 -128.319 28.1175 58.0862 -52.2315 206.195 PRESSAVG: 3926600 -14.3227 -5.52676 18.3473 -5.52668 -21.5549 -18.0035 18.3474 -18.0036 13.4404 GPRESSAVG: 3926600 -14.0995 -6.9244 16.4483 -5.36627 -21.4278 -17.8232 19.528 -17.3419 13.6285 TIMING: 3926600 CPU: 11373.3, 0.00285991/step Wall: 11373.3, 0.00285991/step, 0.852731 hours remaining, 211.105469 MB of memory in use. ENERGY: 3926600 748.5705 2030.1489 1947.4642 99.8026 -206344.7138 17877.8119 0.0000 0.0000 34056.8495 -149584.0663 297.4269 -183640.9158 -149489.0889 297.9729 18.5561 47.5005 557477.7762 -7.4791 -7.2996 PRESSURE: 3926800 73.3976 99.4684 85.807 99.4679 6.50424 51.9679 85.8068 51.9666 -36.057 GPRESSURE: 3926800 68.9194 107.139 10.6005 114.3 58.9003 63.4439 162.596 79.8167 0.873056 PRESSAVG: 3926800 42.7961 10.1027 1.72892 10.1027 -48.2524 -18.4525 1.72886 -18.4525 -11.3715 GPRESSAVG: 3926800 41.9772 11.3215 3.89625 9.70299 -48.3026 -16.5313 1.63175 -21.9917 -10.4389 TIMING: 3926800 CPU: 11373.8, 0.00287349/step Wall: 11373.8, 0.00287349/step, 0.856618 hours remaining, 211.105469 MB of memory in use. ENERGY: 3926800 774.9284 2083.1601 1950.5731 104.0816 -206404.7563 17876.1870 0.0000 0.0000 34280.6388 -149335.1873 299.3813 -183615.8261 -149234.0327 298.4183 14.6149 42.8976 557219.4174 -5.6093 -5.5881 PRESSURE: 3927000 -217.9 -6.95829 -55.4013 -6.95973 207.14 -144.395 -55.4005 -144.395 54.6747 GPRESSURE: 3927000 -160.853 2.9481 -173.355 -15.4395 185.466 -117.451 11.6678 -179.285 115.531 PRESSAVG: 3927000 14.0231 -9.34647 -71.3823 -9.34646 -20.4809 9.98664 -71.3823 9.98655 3.39258 GPRESSAVG: 3927000 14.5974 -9.31977 -75.0239 -9.18581 -19.65 8.33332 -70.4668 11.1239 2.82331 TIMING: 3927000 CPU: 11374.4, 0.0028613/step Wall: 11374.4, 0.0028613/step, 0.852827 hours remaining, 211.105469 MB of memory in use. ENERGY: 3927000 762.6385 2057.8936 1957.5762 97.6359 -206318.0839 17845.3946 0.0000 0.0000 34315.1558 -149281.7894 299.6828 -183596.9452 -149187.2294 299.2056 14.6382 46.7146 557786.3599 -1.0217 -0.7431 PRESSURE: 3927200 263.604 -130.762 90.0243 -130.762 2.38886 -19.2882 90.0237 -19.2885 9.06183 GPRESSURE: 3927200 282.814 -69.3502 95.1839 -53.1224 45.6003 -26.4878 128.354 7.30231 35.6292 PRESSAVG: 3927200 2.99583 -31.0672 31.9847 -31.0672 -40.5338 -9.77983 31.9846 -9.77973 -4.68225 GPRESSAVG: 3927200 2.36161 -30.529 33.1765 -33.1535 -40.8238 -8.52613 30.0392 -9.95837 -4.12879 TIMING: 3927200 CPU: 11375, 0.00287094/step Wall: 11375, 0.00287094/step, 0.855539 hours remaining, 211.105469 MB of memory in use. ENERGY: 3927200 737.6631 2066.3265 1961.0674 99.0881 -206509.0575 18050.8353 0.0000 0.0000 34327.4439 -149266.6331 299.7901 -183594.0771 -149164.3183 299.3088 91.6850 121.3478 557420.4902 -14.0734 -14.1970 PRESSURE: 3927400 144.652 -7.85563 -247.204 -7.85488 73.0061 -31.8989 -247.204 -31.8995 16.4382 GPRESSURE: 3927400 222.74 -55.3448 -139.773 -34.9383 77.2093 -12.8703 -196.374 -123.862 12.8652 PRESSAVG: 3927400 11.3806 -37.7853 0.953866 -37.7853 -88.7265 30.0637 0.953859 30.0636 23.7458 GPRESSAVG: 3927400 10.4281 -39.0375 1.21383 -37.0029 -87.9272 28.0375 1.38183 31.8369 24.9272 TIMING: 3927400 CPU: 11375.5, 0.00286586/step Wall: 11375.5, 0.00286586/step, 0.853867 hours remaining, 211.105469 MB of memory in use. ENERGY: 3927400 747.1465 2036.4273 1941.4979 118.8712 -205888.6512 17804.3363 0.0000 0.0000 34190.6114 -149049.7606 298.5951 -183240.3720 -148946.5206 299.4407 78.0319 104.2717 558116.9285 -17.8667 -17.5239 PRESSURE: 3927600 -21.9693 72.8497 100.935 72.8505 -58.5193 -46.0895 100.933 -46.0896 28.3087 GPRESSURE: 3927600 27.9329 76.4125 69.8089 66.8287 -27.4971 -89.1222 67.205 -37.4302 27.284 PRESSAVG: 3927600 -12.6339 -3.71559 10.2929 -3.71564 -16.0623 -4.92618 10.2929 -4.92616 14.9391 GPRESSAVG: 3927600 -11.545 -3.41788 10.5598 -3.73994 -17.0493 -5.14683 9.84682 -4.79617 14.6549 TIMING: 3927600 CPU: 11376.1, 0.00289664/step Wall: 11376.1, 0.00289664/step, 0.862877 hours remaining, 211.105469 MB of memory in use. ENERGY: 3927600 792.2256 2134.6550 1929.4125 104.4894 -206405.7378 17902.1164 0.0000 0.0000 34472.8637 -149069.9752 301.0601 -183542.8389 -148978.4775 300.3805 -17.3933 9.2399 557206.3459 -4.5857 -4.6465 PRESSURE: 3927800 -117.85 129.688 -82.8619 129.689 -234.817 67.1324 -82.8604 67.1338 14.9127 GPRESSURE: 3927800 -61.0895 170.761 -24.9033 87.7299 -181.316 229.654 -76.3571 55.9858 13.9467 PRESSAVG: 3927800 -11.1959 24.9477 33.3601 24.9477 10.1014 -1.90624 33.3601 -1.9061 8.95483 GPRESSAVG: 3927800 -10.9127 25.5543 31.725 25.2309 10.5059 -1.16818 34.6326 -2.30362 8.43313 TIMING: 3927800 CPU: 11376.7, 0.00287899/step Wall: 11376.7, 0.00287899/step, 0.857459 hours remaining, 211.105469 MB of memory in use. ENERGY: 3927800 734.5095 2060.0878 1944.2989 118.0296 -206060.9763 17726.4158 0.0000 0.0000 34306.2841 -149171.3507 299.6053 -183477.6348 -149075.7712 300.2660 -112.5847 -76.1529 558215.0361 2.6201 2.6755 PRESSURE: 3928000 -3.05018 3.09753 128.717 3.09717 120.909 -66.8449 128.716 -66.8449 -344.051 GPRESSURE: 3928000 36.2635 75.7267 85.5141 12.8566 77.1594 6.19979 162.04 -39.0156 -244.619 PRESSAVG: 3928000 -6.00369 28.9237 4.76025 28.9238 14.2892 -45.3257 4.76032 -45.3259 -69.069 GPRESSAVG: 3928000 -6.11381 29.1018 6.22558 27.6595 13.9224 -47.0741 4.90728 -43.9103 -68.5598 TIMING: 3928000 CPU: 11377.3, 0.00285809/step Wall: 11377.3, 0.00285809/step, 0.851075 hours remaining, 211.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3928000 745.1052 2113.9421 1937.2711 107.0880 -206148.3559 17708.0885 0.0000 0.0000 34250.9455 -149285.9156 299.1220 -183536.8610 -149185.2641 299.3014 -75.3975 -43.7321 558170.8680 -20.2611 -20.2504 PRESSURE: 3928200 -202.376 97.1789 -142.716 97.1787 -125.703 84.1256 -142.716 84.1258 -1.63594 GPRESSURE: 3928200 -170.162 28.2951 -117.224 101.554 -94.5307 103.467 -129.56 86.363 19.8142 PRESSAVG: 3928200 -1.06876 32.9644 23.8871 32.9643 78.9622 5.8036 23.8871 5.80368 -38.0018 GPRESSAVG: 3928200 -0.835872 31.5073 23.3377 35.5311 79.5732 6.00397 25.1042 4.85596 -38.9792 TIMING: 3928200 CPU: 11377.8, 0.0028576/step Wall: 11377.8, 0.0028576/step, 0.85077 hours remaining, 211.105469 MB of memory in use. ENERGY: 3928200 739.1295 2109.4547 1937.0329 100.9583 -205954.0332 17592.7867 0.0000 0.0000 34060.6353 -149414.0358 297.4600 -183474.6710 -149325.6676 298.8652 -109.9051 -81.6261 557681.4213 13.2972 13.2527 LDB: ============= START OF LOAD BALANCING ============== 11381.2 LDB: ============== END OF LOAD BALANCING =============== 11381.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11381.2 LDB: ============= START OF LOAD BALANCING ============== 11381.5 LDB: Largest compute 4792 load 0.025172 is 21.3% of average load 0.118081 LDB: Average compute 0.001732 is 1.5% of average load 0.118081 LDB: TIME 11381.5 LOAD: AVG 0.118081 MAX 0.179213 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.492 MB LDB: TIME 11381.5 LOAD: AVG 0.118081 MAX 0.179213 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.492 MB LDB: TIME 11381.5 LOAD: AVG 0.118081 MAX 0.179213 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11381.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11381.5 PRESSURE: 3928400 4.92895 224.895 8.64017 224.896 69.4222 110.299 8.63944 110.299 111.914 GPRESSURE: 3928400 66.3388 238.708 -31.4214 261.841 105.977 158.499 15.7904 87.638 124.826 PRESSAVG: 3928400 68.2458 -26.2834 24.3733 -26.2834 -47.4532 -45.8449 24.3734 -45.8448 -0.944307 GPRESSAVG: 3928400 67.9775 -26.786 24.0269 -26.0625 -46.6514 -43.9052 23.4763 -46.2858 -1.34776 TIMING: 3928400 CPU: 11378.4, 0.00294934/step Wall: 11378.4, 0.00294934/step, 0.877919 hours remaining, 212.203125 MB of memory in use. ENERGY: 3928400 778.1938 2079.3950 1929.3767 100.3306 -206371.9308 17874.6412 0.0000 0.0000 34244.4103 -149365.5833 299.0650 -183609.9937 -149275.4639 297.9789 62.0884 99.0472 557812.7988 6.6161 6.6594 PRESSURE: 3928600 -183.176 96.0482 -8.98829 96.0487 -197.699 -38.4672 -8.98842 -38.4676 -138.376 GPRESSURE: 3928600 -137.847 64.5899 -49.389 102.264 -192.456 9.50244 52.659 18.55 -86.6209 PRESSAVG: 3928600 -46.9098 67.099 35.5208 67.0989 -29.847 -61.7572 35.5208 -61.7572 66.9719 GPRESSAVG: 3928600 -46.6072 68.9165 36.7558 64.9294 -31.4446 -61.6639 35.8141 -62.7069 67.5899 TIMING: 3928600 CPU: 11379, 0.00288375/step Wall: 11379, 0.00288375/step, 0.858236 hours remaining, 212.406250 MB of memory in use. ENERGY: 3928600 742.4268 2115.1778 1933.3979 95.4614 -206244.8049 17685.1816 0.0000 0.0000 34245.8141 -149427.3453 299.0772 -183673.1595 -149330.9479 298.2802 -173.0836 -138.9746 558658.6661 -3.2616 -3.4873 PRESSURE: 3928800 296.975 118.165 16.6055 118.166 160.408 141.016 16.606 141.016 -44.8658 GPRESSURE: 3928800 286.488 48.9519 -5.6278 14.8083 204.626 85.4767 103.174 118.207 20.8847 PRESSAVG: 3928800 -72.7703 6.54094 64.0856 6.54097 -9.11515 -59.0479 64.0855 -59.048 79.2105 GPRESSAVG: 3928800 -73.5828 7.28847 64.6572 5.5982 -6.62282 -59.9926 63.4924 -58.1798 77.5392 TIMING: 3928800 CPU: 11379.6, 0.0028826/step Wall: 11379.6, 0.0028826/step, 0.857735 hours remaining, 212.406250 MB of memory in use. ENERGY: 3928800 715.8567 2104.0622 1962.5545 114.9316 -206580.2795 18205.8359 0.0000 0.0000 34062.6633 -149414.3753 297.4777 -183477.0385 -149319.0587 299.0262 137.5055 170.6660 558569.1233 -0.8917 -0.8888 PRESSURE: 3929000 23.6808 -38.5825 56.8083 -38.583 -170.904 -115.353 56.8081 -115.353 -11.9896 GPRESSURE: 3929000 23.7591 -108.399 162.503 16.04 -112.767 -15.4563 -25.2305 -177.452 33.1932 PRESSAVG: 3929000 9.68301 21.2734 19.4345 21.2735 -21.3778 -28.923 19.4344 -28.9229 33.5553 GPRESSAVG: 3929000 10.9732 21.2537 18.1614 24.4427 -23.6379 -29.5155 18.7503 -29.4472 34.5874 TIMING: 3929000 CPU: 11380.2, 0.00287039/step Wall: 11380.2, 0.00287039/step, 0.85394 hours remaining, 212.406250 MB of memory in use. ENERGY: 3929000 775.1064 2129.6084 1978.3914 120.9358 -206842.3596 18017.2227 0.0000 0.0000 34440.0620 -149381.0331 300.7736 -183821.0951 -149285.1697 298.8764 -53.0710 -18.6049 558377.4159 7.2868 7.3076 PRESSURE: 3929200 -81.6299 208.893 0.767055 208.892 -92.9757 -23.8626 0.767448 -23.8617 21.8206 GPRESSURE: 3929200 -0.658882 244.501 21.24 134.002 -36.1119 2.1604 53.9921 55.9758 -14.0651 PRESSAVG: 3929200 26.1101 37.745 -48.482 37.7449 -63.0078 -12.4935 -48.482 -12.4935 22.944 GPRESSAVG: 3929200 26.6678 36.1325 -47.9078 35.7282 -61.9486 -12.1565 -47.7642 -12.0881 21.0089 TIMING: 3929200 CPU: 11380.7, 0.00286654/step Wall: 11380.7, 0.00286654/step, 0.852635 hours remaining, 212.406250 MB of memory in use. ENERGY: 3929200 723.5169 2130.4328 1943.6330 112.8065 -206057.2214 17627.3849 0.0000 0.0000 34096.0133 -149423.4339 297.7690 -183519.4472 -149317.4949 298.5575 -50.9283 -16.9453 558715.4857 -4.6513 -4.7573 PRESSURE: 3929400 55.7567 76.3417 136.618 76.3417 -23.089 156.526 136.618 156.526 90.2983 GPRESSURE: 3929400 61.1515 92.0331 150.528 34.1628 22.4424 106.637 84.8384 124.958 137.149 PRESSAVG: 3929400 -35.6384 18.5405 -37.767 18.5406 -23.2381 21.2997 -37.7669 21.2996 14.7155 GPRESSAVG: 3929400 -37.2369 19.2389 -37.9561 19.8563 -25.1095 20.6277 -37.7462 21.0281 17.8956 TIMING: 3929400 CPU: 11381.3, 0.0028682/step Wall: 11381.3, 0.0028682/step, 0.852972 hours remaining, 212.406250 MB of memory in use. ENERGY: 3929400 741.8863 2073.7919 1941.7655 120.1086 -206189.3527 17830.9635 0.0000 0.0000 34198.1775 -149282.6594 298.6612 -183480.8369 -149183.6998 297.9612 40.9887 73.5810 558641.8082 -14.7204 -14.8169 PRESSURE: 3929600 19.7145 -85.2513 52.3076 -85.2505 -60.6562 -105.116 52.3054 -105.116 118.344 GPRESSURE: 3929600 54.0237 -63.3018 59.3152 -91.2041 0.780838 -112.598 86.8095 -14.1638 127.435 PRESSAVG: 3929600 4.81476 48.4127 -9.08497 48.4127 -48.9963 -42.4511 -9.08502 -42.4512 80.1109 GPRESSAVG: 3929600 5.46393 46.8047 -10.4654 48.9194 -47.9066 -39.9649 -7.37316 -43.2853 78.3092 TIMING: 3929600 CPU: 11381.9, 0.00285742/step Wall: 11381.9, 0.00285742/step, 0.849606 hours remaining, 212.406250 MB of memory in use. ENERGY: 3929600 742.2373 2103.6435 1934.8640 120.6440 -206200.0630 17902.3602 0.0000 0.0000 34139.7950 -149256.5191 298.1513 -183396.3141 -149168.8062 298.9799 25.8006 60.7465 558380.8749 11.9765 11.9555 PRESSURE: 3929800 13.2262 109.069 257.946 109.068 -103.315 -46.8569 257.946 -46.8575 -132.728 GPRESSURE: 3929800 -9.74578 136.176 284.358 98.6744 -48.2121 -90.5522 273.796 -13.0581 -79.0066 PRESSAVG: 3929800 13.7508 12.4821 -6.20104 12.4822 -13.3215 -6.88907 -6.20105 -6.88915 -15.6748 GPRESSAVG: 3929800 13.2823 13.0582 -5.07962 13.0114 -12.5665 -7.15177 -8.26387 -6.74153 -15.9396 TIMING: 3929800 CPU: 11382.5, 0.00285577/step Wall: 11382.5, 0.00285577/step, 0.848958 hours remaining, 212.406250 MB of memory in use. ENERGY: 3929800 733.9768 2105.5357 1937.1037 119.3343 -206304.1895 17860.0143 0.0000 0.0000 34320.6244 -149227.6003 299.7305 -183548.2247 -149127.2688 298.6662 -74.2725 -45.6548 558974.7282 -5.0818 -5.0746 PRESSURE: 3930000 -78.7401 56.943 143.137 56.9436 -57.2974 82.1568 143.137 82.1565 -67.4446 GPRESSURE: 3930000 -9.1137 -58.6284 180.103 116.604 -59.0781 38.3024 46.8137 118.533 -49.5045 PRESSAVG: 3930000 34.5052 0.207049 44.1688 0.207039 11.4547 19.2138 44.1688 19.2138 -38.2204 GPRESSAVG: 3930000 36.0825 -0.859655 42.2934 0.439232 10.2134 16.4748 44.9691 20.852 -38.5652 TIMING: 3930000 CPU: 11383, 0.00286537/step Wall: 11383, 0.00286537/step, 0.851652 hours remaining, 212.406250 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: 3930000 766.0344 2080.8088 1939.4437 119.8784 -206252.2083 17746.3206 0.0000 0.0000 34456.1958 -149143.5266 300.9145 -183599.7224 -149044.3244 299.2825 -67.8274 -39.2321 556872.3658 2.5799 2.5769 PRESSURE: 3930200 319.022 83.1726 -191.457 83.1735 69.0286 -15.0469 -191.456 -15.0494 236.211 GPRESSURE: 3930200 264.383 96.745 -161.057 127.3 128.177 -18.3309 -196.058 55.5371 332.56 PRESSAVG: 3930200 -23.4658 -14.8457 -42.0296 -14.8458 -24.6917 12.5265 -42.0296 12.5265 0.404246 GPRESSAVG: 3930200 -24.4727 -12.8654 -38.6551 -16.7566 -24.4508 15.4247 -41.6347 10.2219 1.15228 TIMING: 3930200 CPU: 11383.6, 0.00286406/step Wall: 11383.6, 0.00286406/step, 0.851103 hours remaining, 212.406250 MB of memory in use. ENERGY: 3930200 727.5879 2011.4223 1964.8218 106.8551 -206404.9845 17984.1537 0.0000 0.0000 34400.5126 -149209.6311 300.4282 -183610.1437 -149112.3041 299.0039 208.0871 241.7067 556044.2810 -15.9177 -15.9237 PRESSURE: 3930400 -219.509 101.908 -91.2543 101.908 51.5032 62.6085 -91.256 62.608 -126.173 GPRESSURE: 3930400 -123.418 157.6 -96.1103 89.3604 56.2009 62.7086 -91.4587 13.6165 -130.619 PRESSAVG: 3930400 -48.4432 0.313714 -59.4381 0.313684 45.9113 10.2959 -59.4381 10.2958 19.8641 GPRESSAVG: 3930400 -48.7648 0.303875 -59.4419 1.59359 45.6405 10.119 -60.1964 10.0878 20.8519 TIMING: 3930400 CPU: 11384.2, 0.00287943/step Wall: 11384.2, 0.00287943/step, 0.85551 hours remaining, 212.406250 MB of memory in use. ENERGY: 3930400 731.6027 2096.3486 1951.0555 115.1936 -206242.8286 17646.6939 0.0000 0.0000 34363.2293 -149338.7051 300.1026 -183701.9344 -149240.2003 298.7053 -98.0594 -65.9457 557569.3083 5.7774 5.9092 PRESSURE: 3930600 -33.0166 109.723 32.6749 109.723 78.1794 189.211 32.6741 189.212 113.011 GPRESSURE: 3930600 0.177774 11.7973 63.9957 89.7078 95.2382 91.5672 -24.0562 222.881 155.497 PRESSAVG: 3930600 7.32354 8.19988 -76.0061 8.19993 8.42626 44.0875 -76.0061 44.0875 14.829 GPRESSAVG: 3930600 7.89993 7.11183 -77.1092 9.49137 7.77966 43.9171 -77.5058 44.8523 15.016 TIMING: 3930600 CPU: 11384.7, 0.00286814/step Wall: 11384.7, 0.00286814/step, 0.851996 hours remaining, 212.406250 MB of memory in use. ENERGY: 3930600 744.4022 2106.5606 1932.1228 122.6591 -206593.4199 18008.0141 0.0000 0.0000 34185.8683 -149493.7928 298.5537 -183679.6612 -149390.5305 299.1665 52.7245 83.6376 557207.9053 10.1929 10.2319 PRESSURE: 3930800 272.308 35.0369 -9.16212 35.0372 179.505 29.5761 -9.16191 29.5755 285.815 GPRESSURE: 3930800 240.339 72.2134 -28.4723 98.9481 209.389 67.5851 7.64674 48.6148 381.712 PRESSAVG: 3930800 -72.1648 -17.8341 -65.533 -17.834 5.07126 52.5547 -65.533 52.5548 68.3499 GPRESSAVG: 3930800 -72.8522 -15.7327 -64.3365 -18.4963 6.07359 51.6669 -64.8623 54.8757 68.3962 TIMING: 3930800 CPU: 11385.3, 0.00287481/step Wall: 11385.3, 0.00287481/step, 0.853818 hours remaining, 212.406250 MB of memory in use. ENERGY: 3930800 735.8000 2137.6213 1936.3446 113.4286 -206596.4294 18251.7129 0.0000 0.0000 34064.8984 -149356.6237 297.4972 -183421.5221 -149259.2115 298.3785 245.8762 277.1467 557792.1388 0.4188 0.5392 PRESSURE: 3931000 104.91 143.513 0.502904 143.513 -5.64667 -74.043 0.503611 -74.0409 50.8432 GPRESSURE: 3931000 142.182 137.302 -14.1883 93.7359 16.1398 -9.16884 64.9258 -113.864 96.2024 PRESSAVG: 3931000 -56.142 14.7613 -40.3961 14.7612 53.4813 10.0381 -40.3959 10.0382 25.2328 GPRESSAVG: 3931000 -56.4838 11.6203 -41.7225 15.0713 52.9757 10.1697 -39.9197 8.35212 26.4851 TIMING: 3931000 CPU: 11385.9, 0.00286368/step Wall: 11385.9, 0.00286368/step, 0.850353 hours remaining, 212.406250 MB of memory in use. ENERGY: 3931000 694.3674 2102.7710 1920.0156 112.0756 -206356.4004 17877.0131 0.0000 0.0000 34301.7912 -149348.3666 299.5661 -183650.1578 -149255.1370 298.5264 50.0355 84.8414 556331.3080 7.5240 7.6590 PRESSURE: 3931200 117.521 44.3316 155.967 44.332 -84.2097 -12.9611 155.966 -12.9609 -83.3042 GPRESSURE: 3931200 63.2196 21.4901 158.971 80.5939 26.9036 -109.169 114.025 -8.83878 -50.5294 PRESSAVG: 3931200 15.1908 13.2494 15.9891 13.2493 -14.9021 -52.4616 15.9892 -52.4615 12.3577 GPRESSAVG: 3931200 16.6962 13.5244 14.7384 11.0787 -14.3731 -51.782 15.3636 -50.9356 10.3876 TIMING: 3931200 CPU: 11386.5, 0.00288095/step Wall: 11386.5, 0.00288095/step, 0.855323 hours remaining, 212.406250 MB of memory in use. ENERGY: 3931200 792.1521 2120.0600 1936.3723 115.2554 -206371.2302 18017.4058 0.0000 0.0000 34099.9373 -149290.0473 297.8032 -183389.9846 -149192.4556 298.8412 -16.6642 13.1979 557171.9678 4.2154 4.2369 PRESSURE: 3931400 -90.3846 -53.7202 89.8467 -53.7195 97.6573 31.5853 89.8454 31.5851 319.377 GPRESSURE: 3931400 -16.7706 -39.4779 75.0814 -22.7527 100.521 -38.8635 81.7311 24.5404 350.359 PRESSAVG: 3931400 1.69833 -0.43472 10.0775 -0.434768 13.4508 -21.1443 10.0774 -21.1444 33.9587 GPRESSAVG: 3931400 0.73976 0.636734 10.5328 -0.853409 13.5916 -21.7065 10.2069 -22.2174 35.0065 TIMING: 3931400 CPU: 11387, 0.00286395/step Wall: 11387, 0.00286395/step, 0.850115 hours remaining, 212.406250 MB of memory in use. ENERGY: 3931400 756.8449 2131.4133 1960.2051 108.0358 -206521.5748 18150.0873 0.0000 0.0000 34187.6563 -149227.3321 298.5693 -183414.9884 -149131.9198 298.9094 108.8834 144.7031 557420.5099 16.3693 16.4460 PRESSURE: 3931600 18.3918 46.3905 -100.041 46.391 -173.094 15.0426 -100.042 15.0456 -88.2319 GPRESSURE: 3931600 38.5844 -5.25419 -0.906024 0.925692 -103.716 4.62163 -82.8895 19.6391 -72.5162 PRESSAVG: 3931600 -28.3683 -11.075 13.4648 -11.075 -21.1283 -24.8148 13.4647 -24.8147 55.3426 GPRESSAVG: 3931600 -28.4404 -10.3888 13.7506 -9.34849 -19.7872 -25.445 12.2702 -24.5037 53.7888 TIMING: 3931600 CPU: 11387.6, 0.00284317/step Wall: 11387.6, 0.00284317/step, 0.843791 hours remaining, 212.406250 MB of memory in use. ENERGY: 3931600 786.5248 2136.2705 1941.3688 109.0392 -205968.6450 17589.3685 0.0000 0.0000 34203.8425 -149202.2306 298.7107 -183406.0731 -149111.6057 299.5628 -80.9780 -45.8826 557460.7292 1.9487 1.8537 PRESSURE: 3931800 270.896 84.1733 -77.2996 84.1736 325.76 -27.1491 -77.3 -27.1504 -15.9564 GPRESSURE: 3931800 258.711 117.538 -92.6176 -47.0448 355.443 -50.4018 19.7003 -92.253 64.6956 PRESSAVG: 3931800 39.783 17.4331 19.9349 17.4331 -87.5814 -43.4855 19.9349 -43.4855 59.9109 GPRESSAVG: 3931800 40.6927 17.1329 19.6534 17.776 -89.2295 -43.0963 21.5937 -44.0258 60.6139 TIMING: 3931800 CPU: 11388.2, 0.00284648/step Wall: 11388.2, 0.00284648/step, 0.844614 hours remaining, 212.406250 MB of memory in use. ENERGY: 3931800 743.0681 2156.2028 1934.8729 110.0294 -206065.2423 17823.8370 0.0000 0.0000 34234.6081 -149062.6240 298.9793 -183297.2322 -148966.8775 299.7971 193.5665 226.2832 557393.6955 4.0375 4.0257 PRESSURE: 3932000 -6.95142 0.609436 -75.4752 0.609869 -64.9452 -122.478 -75.4759 -122.478 -468.464 GPRESSURE: 3932000 20.1141 42.9711 -67.4034 39.1406 -41.0273 -156.203 -98.4021 -110.3 -427.468 PRESSAVG: 3932000 76.3538 17.2043 -65.4203 17.2043 -103.654 -2.80787 -65.4202 -2.80772 6.40068 GPRESSAVG: 3932000 75.6477 17.6658 -65.0383 17.6305 -103.464 -0.301129 -65.0753 -4.44142 6.73346 TIMING: 3932000 CPU: 11388.8, 0.00286526/step Wall: 11388.8, 0.00286526/step, 0.850028 hours remaining, 212.406250 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: 3932000 777.1663 2102.6719 1961.6057 113.1492 -205765.6619 17465.0194 0.0000 0.0000 34320.7486 -149025.3008 299.7316 -183346.0494 -148915.9055 300.5665 -180.1201 -149.4603 559717.4079 -6.9664 -7.0275 PRESSURE: 3932200 -108.663 -131.289 44.1534 -131.289 -238.175 -49.6504 44.1528 -49.6526 -196.108 GPRESSURE: 3932200 -60.5536 -96.9654 98.6128 -38.2745 -197.572 -45.9084 -8.04657 -34.8202 -197.635 PRESSAVG: 3932200 75.1068 -25.4603 24.8525 -25.4603 -45.2075 9.61356 24.8525 9.61357 -11.4187 GPRESSAVG: 3932200 75.5757 -24.7461 24.4314 -25.7564 -45.9985 5.73935 22.9982 11.4786 -11.0851 TIMING: 3932200 CPU: 11389.3, 0.00285308/step Wall: 11389.3, 0.00285308/step, 0.846254 hours remaining, 212.406250 MB of memory in use. ENERGY: 3932200 789.8761 2091.1805 1948.1542 115.3225 -205718.9826 17512.7093 0.0000 0.0000 34326.3492 -148935.3908 299.7805 -183261.7399 -148840.0661 300.4395 -180.9821 -151.9203 558242.5067 6.1602 6.1641 LDB: ============= START OF LOAD BALANCING ============== 11392.7 LDB: ============== END OF LOAD BALANCING =============== 11392.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11392.7 LDB: ============= START OF LOAD BALANCING ============== 11393 LDB: Largest compute 4792 load 0.025480 is 21.6% of average load 0.118097 LDB: Average compute 0.001719 is 1.5% of average load 0.118097 LDB: TIME 11393 LOAD: AVG 0.118097 MAX 0.178164 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.477 MB LDB: TIME 11393 LOAD: AVG 0.118097 MAX 0.178164 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.477 MB LDB: TIME 11393 LOAD: AVG 0.118097 MAX 0.178164 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.477 MB LDB: ============== END OF LOAD BALANCING =============== 11393 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11393 PRESSURE: 3932400 -251.14 -57.6221 -100.767 -57.6221 -47.9836 -183.738 -100.766 -183.738 -11.6928 GPRESSURE: 3932400 -252.687 -148.2 -30.7858 1.458 -34.9096 -170.17 -71.0426 -168.906 64.2031 PRESSAVG: 3932400 -30.5047 33.8911 -35.3147 33.8912 28.3487 -33.2711 -35.3146 -33.2711 -0.0103011 GPRESSAVG: 3932400 -32.0643 31.5253 -34.0876 35.1678 29.604 -30.4474 -34.8405 -34.9975 0.68019 TIMING: 3932400 CPU: 11389.9, 0.0029295/step Wall: 11389.9, 0.0029295/step, 0.868758 hours remaining, 209.839844 MB of memory in use. ENERGY: 3932400 736.5783 2082.7690 1933.4971 116.3504 -205854.0535 17682.0991 0.0000 0.0000 34367.9023 -148934.8571 300.1434 -183302.7595 -148839.5297 299.9884 -103.6055 -74.4645 558687.2821 -0.7221 -0.5934 PRESSURE: 3932600 22.3859 -120.753 -121.832 -120.753 170.115 -94.54 -121.832 -94.5389 -180.461 GPRESSURE: 3932600 -50.9179 -174.037 -252.172 -141.403 210.295 -148.504 -38.1864 -138.497 -55.0871 PRESSAVG: 3932600 26.0659 -49.5237 -1.03191 -49.5237 34.1195 16.3758 -1.03198 16.3758 -53.6442 GPRESSAVG: 3932600 25.2576 -49.5289 -4.22618 -50.531 34.3487 15.433 -1.13836 17.1697 -53.5242 TIMING: 3932600 CPU: 11390.5, 0.0028857/step Wall: 11390.5, 0.00288571/step, 0.855612 hours remaining, 210.042969 MB of memory in use. ENERGY: 3932600 747.1671 2135.4050 1929.1566 113.3731 -205997.0480 17780.9270 0.0000 0.0000 34316.7913 -148974.2279 299.6971 -183291.0192 -148874.5155 300.2653 4.0133 34.7632 558242.5633 2.1804 2.0274 PRESSURE: 3932800 -14.3759 -59.5766 154.613 -59.575 -99.7421 -78.92 154.614 -78.9193 -334.777 GPRESSURE: 3932800 19.1912 -80.9426 179.38 -0.926619 -62.1186 -73.6902 175.487 -48.1011 -294.572 PRESSAVG: 3932800 -9.53359 20.6798 30.3894 20.6798 -12.6322 -28.336 30.3894 -28.336 13.7211 GPRESSAVG: 3932800 -7.85716 20.2004 33.5997 19.4717 -13.6594 -29.653 32.8425 -28.7953 12.8377 TIMING: 3932800 CPU: 11391.1, 0.00290111/step Wall: 11391.1, 0.00290111/step, 0.860018 hours remaining, 210.042969 MB of memory in use. ENERGY: 3932800 798.9823 2056.0419 1962.7012 113.6555 -206010.7732 17732.2775 0.0000 0.0000 34418.7103 -148928.4045 300.5872 -183347.1148 -148828.0300 300.7508 -149.6317 -112.5000 558139.7804 -2.8149 -2.8929 PRESSURE: 3933000 -122.828 -21.8851 -49.375 -21.8849 -21.461 -266.513 -49.3754 -266.514 114.278 GPRESSURE: 3933000 -84.4466 -77.0827 16.8269 -6.51039 8.55418 -226.123 -11.7419 -254.802 142.664 PRESSAVG: 3933000 -10.8238 -6.89272 14.5765 -6.89271 -15.6373 -37.8828 14.5766 -37.8828 23.9682 GPRESSAVG: 3933000 -10.6765 -4.01747 11.5703 -6.40308 -16.0473 -35.6803 15.4662 -37.1495 23.7503 TIMING: 3933000 CPU: 11391.6, 0.00285836/step Wall: 11391.6, 0.00285836/step, 0.847186 hours remaining, 210.042969 MB of memory in use. ENERGY: 3933000 782.2526 2080.3388 1946.7580 109.3595 -206044.5767 17863.3177 0.0000 0.0000 34451.0622 -148811.4879 300.8697 -183262.5501 -148715.3797 300.6936 -10.0037 22.2572 559605.6389 -0.8310 -0.9912 PRESSURE: 3933200 -59.4946 -102.962 -218.813 -102.963 -160.52 -105.187 -218.814 -105.187 -131.324 GPRESSURE: 3933200 -84.5535 -62.5639 -162.007 -160.093 -35.5112 -84.315 -160.626 -96.0807 -138.42 PRESSAVG: 3933200 4.92125 -42.1255 -50.6168 -42.1256 45.152 0.473133 -50.6168 0.473141 -37.9119 GPRESSAVG: 3933200 4.80781 -43.364 -47.6936 -42.5619 45.1552 -0.736255 -52.5791 -0.551132 -38.4236 TIMING: 3933200 CPU: 11392.2, 0.00287966/step Wall: 11392.2, 0.00287966/step, 0.85334 hours remaining, 210.042969 MB of memory in use. ENERGY: 3933200 741.9286 2125.1374 1959.5365 108.1699 -205718.6122 17579.9909 0.0000 0.0000 34334.2391 -148869.6098 299.8494 -183203.8489 -148774.7890 300.8523 -117.1131 -86.1615 559631.7878 4.0538 3.8464 PRESSURE: 3933400 48.2904 100.817 -82.4405 100.817 63.4114 28.087 -82.4391 28.0885 1.76077 GPRESSURE: 3933400 63.5982 -15.7913 -81.6259 55.713 112.035 44.0083 -58.907 93.3196 28.7022 PRESSAVG: 3933400 -53.5823 -47.8063 25.2311 -47.8062 13.3774 -13.0265 25.2312 -13.0266 -10.2475 GPRESSAVG: 3933400 -53.9799 -49.581 22.6483 -45.88 13.956 -13.0332 25.9673 -12.5869 -9.97119 TIMING: 3933400 CPU: 11392.8, 0.00284794/step Wall: 11392.8, 0.00284794/step, 0.843783 hours remaining, 210.042969 MB of memory in use. ENERGY: 3933400 751.2424 2089.9366 1952.0140 107.3139 -205766.8075 17767.9473 0.0000 0.0000 34155.3475 -148943.0058 298.2871 -183098.3533 -148845.9321 300.2171 37.8208 68.1118 557386.0309 -16.8175 -16.6650 PRESSURE: 3933600 -156.341 50.9521 39.8317 50.9527 -57.5446 -159.848 39.8305 -159.848 118.055 GPRESSURE: 3933600 -63.83 -40.0962 -29.7743 66.9388 -20.5277 -102.784 26.5618 -179.35 83.4952 PRESSAVG: 3933600 10.7234 -54.3337 21.1287 -54.3337 -0.0528175 -41.213 21.1286 -41.2132 -5.47202 GPRESSAVG: 3933600 10.7078 -53.181 23.4398 -54.9054 -0.442024 -39.2474 19.3534 -42.3142 -5.14877 TIMING: 3933600 CPU: 11393.4, 0.0028684/step Wall: 11393.4, 0.0028684/step, 0.849683 hours remaining, 210.042969 MB of memory in use. ENERGY: 3933600 778.4370 2092.9155 1959.8291 119.0131 -205848.8011 17719.4593 0.0000 0.0000 34153.9440 -149025.2030 298.2749 -183179.1469 -148930.0591 299.8324 -31.9435 -0.2875 557740.5302 1.7328 1.7057 PRESSURE: 3933800 32.4435 19.4203 112.485 19.4217 -191.532 30.7181 112.485 30.7167 -221.478 GPRESSURE: 3933800 17.035 100.132 132.715 -40.3041 -163.401 70.4536 67.2651 5.17783 -134.626 PRESSAVG: 3933800 -1.13721 -45.2243 -3.10479 -45.2244 4.19195 -27.0041 -3.10477 -27.004 -2.61974 GPRESSAVG: 3933800 -0.878036 -43.3645 -4.14487 -46.193 4.18215 -27.439 -2.3669 -26.7134 -3.08955 TIMING: 3933800 CPU: 11393.9, 0.002864/step Wall: 11393.9, 0.002864/step, 0.848221 hours remaining, 210.042969 MB of memory in use. ENERGY: 3933800 740.0508 2106.0701 1948.0491 105.2225 -205781.8086 17451.6386 0.0000 0.0000 34353.3786 -149077.3989 300.0166 -183430.7775 -148984.3974 299.3904 -126.8553 -93.6640 556629.9141 0.1450 0.0715 PRESSURE: 3934000 40.594 20.4894 -31.007 20.4898 -77.1924 109.235 -31.0066 109.236 -320.131 GPRESSURE: 3934000 109.357 -21.3537 -55.5828 60.0328 -38.8361 41.3021 9.48173 257.79 -316.485 PRESSAVG: 3934000 28.6453 -26.7888 39.3681 -26.7887 -31.189 1.91224 39.3682 1.91229 19.8683 GPRESSAVG: 3934000 28.2171 -26.456 37.2159 -25.4329 -30.534 -0.499174 40.1366 4.89825 19.4533 TIMING: 3934000 CPU: 11394.5, 0.00286683/step Wall: 11394.5, 0.00286683/step, 0.8489 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3934000 726.7477 2076.0945 1939.1760 118.2108 -205793.7758 17504.7628 0.0000 0.0000 34367.4337 -149061.3503 300.1393 -183428.7841 -148967.5032 299.5921 -118.9098 -81.9880 557155.9094 5.7748 5.7121 PRESSURE: 3934200 58.2853 -1.28183 -114.284 -1.28159 -232.355 -82.8555 -114.283 -82.8556 -100.694 GPRESSURE: 3934200 85.4563 78.6558 -122.141 -10.976 -218.067 -25.9835 -82.5149 -103.023 -32.0196 PRESSAVG: 3934200 -42.0164 -6.1511 6.96633 -6.15108 86.571 -13.381 6.9663 -13.381 -19.8422 GPRESSAVG: 3934200 -41.062 -5.83387 10.8318 -7.10904 85.5884 -11.675 5.63322 -13.5041 -19.5979 TIMING: 3934200 CPU: 11395.1, 0.00287684/step Wall: 11395.1, 0.00287684/step, 0.851703 hours remaining, 210.042969 MB of memory in use. ENERGY: 3934200 765.5911 2094.6906 1951.2290 109.2916 -206171.7939 17701.7550 0.0000 0.0000 34430.7599 -149118.4766 300.6924 -183549.2365 -149026.4457 299.4739 -91.5880 -54.8767 556451.6154 8.2374 8.3095 PRESSURE: 3934400 23.4415 76.1101 97.2234 76.11 73.5435 -106.491 97.2245 -106.49 -197.155 GPRESSURE: 3934400 23.0963 104.23 46.9236 91.9636 116.361 -113.045 109.251 -104.978 -144.221 PRESSAVG: 3934400 1.97352 2.88211 3.45719 2.8821 -63.094 -3.72993 3.45722 -3.72987 30.3768 GPRESSAVG: 3934400 0.82629 2.88522 1.53664 2.29465 -62.7758 -5.7993 5.09413 -4.45962 31.3094 TIMING: 3934400 CPU: 11395.7, 0.00285849/step Wall: 11395.7, 0.00285849/step, 0.846112 hours remaining, 210.042969 MB of memory in use. ENERGY: 3934400 718.0551 2070.2160 1940.0794 127.5778 -206361.8281 17694.7614 0.0000 0.0000 34467.3817 -149343.7568 301.0122 -183811.1385 -149246.0561 299.1476 -33.3900 -1.5879 556780.0703 -10.2479 -10.2134 PRESSURE: 3934600 -269.782 -8.52323 93.2104 -8.52347 -53.3516 -121.361 93.2098 -121.36 61.5315 GPRESSURE: 3934600 -161.084 15.6871 75.6786 -61.0496 -29.841 -262.329 172.692 -67.0398 30.2002 PRESSAVG: 3934600 -64.5059 32.469 5.39997 32.4689 10.7003 41.8852 5.39999 41.8853 43.4463 GPRESSAVG: 3934600 -63.7856 30.6559 4.86116 31.9434 11.0456 44.7529 3.2152 41.1527 42.5775 TIMING: 3934600 CPU: 11396.2, 0.00285966/step Wall: 11396.2, 0.00285966/step, 0.846299 hours remaining, 210.042969 MB of memory in use. ENERGY: 3934600 755.1788 2000.1788 1919.9582 119.3887 -206328.0399 17842.3424 0.0000 0.0000 34254.5125 -149436.4805 299.1532 -183690.9929 -149338.5137 298.7263 -87.2007 -53.5748 557477.0528 -3.4531 -3.3875 PRESSURE: 3934800 159.771 -38.9437 -53.5553 -38.9435 -36.4633 -197.649 -53.5552 -197.647 51.3124 GPRESSURE: 3934800 283.781 -11.1783 -2.08828 -72.4735 -52.6658 -217.752 -81.6814 -189.824 59.2891 PRESSAVG: 3934800 40.8988 -41.2156 13.206 -41.2156 -55.0749 -5.89848 13.206 -5.89848 33.8862 GPRESSAVG: 3934800 40.1473 -39.3289 14.3771 -40.7699 -54.9426 -7.40432 14.2118 -5.474 34.6117 TIMING: 3934800 CPU: 11396.8, 0.00287749/step Wall: 11396.8, 0.00287749/step, 0.851418 hours remaining, 210.042969 MB of memory in use. ENERGY: 3934800 718.7278 2039.3231 1939.7214 102.8248 -206779.9058 18052.8499 0.0000 0.0000 34437.7946 -149488.6642 300.7538 -183926.4588 -149395.3813 299.1451 58.2067 96.8014 556990.0409 6.5700 6.6055 PRESSURE: 3935000 -307.627 -24.3867 -38.1781 -24.3861 -161.501 -48.1201 -38.1772 -48.1191 -132.572 GPRESSURE: 3935000 -260.829 -7.61194 11.1383 -34.5156 -151.235 -112.368 -51.7734 -41.5175 -99.0818 PRESSAVG: 3935000 19.3502 24.303 -59.0376 24.3029 38.7129 -16.4619 -59.0376 -16.462 -34.3457 GPRESSAVG: 3935000 20.978 23.5108 -60.9314 23.2243 38.3968 -17.9205 -59.0655 -14.351 -35.638 TIMING: 3935000 CPU: 11397.4, 0.00285402/step Wall: 11397.4, 0.00285402/step, 0.844314 hours remaining, 210.042969 MB of memory in use. ENERGY: 3935000 755.6250 2123.0146 1957.2439 115.5462 -206223.8257 17712.2233 0.0000 0.0000 34120.3695 -149439.8033 297.9817 -183560.1728 -149347.8344 298.6775 -200.5668 -170.3817 558102.7607 7.9058 7.9123 PRESSURE: 3935200 -141.546 -12.0233 61.9567 -12.0248 -131.611 -131.845 61.9572 -131.847 -474.896 GPRESSURE: 3935200 -140.436 -67.6805 84.7042 -3.74578 -110.933 -84.2548 62.654 -163.624 -403.043 PRESSAVG: 3935200 -19.5168 -44.5057 -32.4372 -44.5058 72.8124 -7.84374 -32.4371 -7.84385 -88.1349 GPRESSAVG: 3935200 -20.9864 -45.6113 -31.3009 -43.4437 73.1757 -5.87444 -32.6787 -8.24663 -87.5288 TIMING: 3935200 CPU: 11397.9, 0.00286028/step Wall: 11397.9, 0.00286028/step, 0.846007 hours remaining, 210.042969 MB of memory in use. ENERGY: 3935200 762.4502 2091.3114 1947.5509 104.9373 -206331.7942 17642.6227 0.0000 0.0000 34251.7618 -149531.1597 299.1292 -183782.9216 -149431.8903 298.6387 -249.3509 -218.1374 556808.0699 -11.6131 -11.7799 PRESSURE: 3935400 -20.0564 -31.8632 69.4844 -31.8639 2.32223 118.875 69.4848 118.875 19.9953 GPRESSURE: 3935400 24.7046 17.6841 176.256 -28.6337 70.6559 111.316 34.8444 56.2928 3.58625 PRESSAVG: 3935400 -13.1683 -24.1145 -24.837 -24.1145 78.9563 -65.1239 -24.8371 -65.1239 -40.2689 GPRESSAVG: 3935400 -11.941 -24.7618 -25.8969 -24.0572 78.3192 -65.5438 -25.2715 -66.531 -40.6328 TIMING: 3935400 CPU: 11398.5, 0.00285499/step Wall: 11398.5, 0.00285499/step, 0.844284 hours remaining, 210.042969 MB of memory in use. ENERGY: 3935400 755.0080 2123.1342 1950.9139 125.9564 -206667.5900 17888.6150 0.0000 0.0000 34367.7956 -149456.1669 300.1425 -183823.9625 -149356.3682 299.0976 0.7537 32.9822 556392.8684 8.5064 8.5818 PRESSURE: 3935600 -77.8448 42.726 -30.3925 42.7271 -34.952 92.2411 -30.3929 92.2424 -113.019 GPRESSURE: 3935600 -81.8851 78.2074 -53.2515 29.21 13.2095 13.2422 -149.877 175.816 -67.9183 PRESSAVG: 3935600 -71.2226 -16.0232 5.57979 -16.0231 20.3271 11.3739 5.5799 11.3739 24.9795 GPRESSAVG: 3935600 -73.0767 -13.3008 7.74798 -16.4944 20.3767 12.1921 5.33527 11.0048 25.7981 TIMING: 3935600 CPU: 11399.1, 0.00286351/step Wall: 11399.1, 0.00286351/step, 0.846645 hours remaining, 210.042969 MB of memory in use. ENERGY: 3935600 765.9019 2156.6947 1939.1031 108.6880 -206355.8100 17839.9060 0.0000 0.0000 34240.9225 -149304.5939 299.0345 -183545.5164 -149207.6631 298.8415 -75.2718 -45.5313 555771.0360 -8.6386 -8.9673 PRESSURE: 3935800 69.1059 -34.9884 89.5224 -34.9866 21.3355 -100.832 89.5231 -100.832 -12.8734 GPRESSURE: 3935800 61.1583 -30.2061 34.4034 35.0875 103.858 -110.587 103.756 -92.7084 15.9301 PRESSAVG: 3935800 -106.187 -5.92784 -34.829 -5.92778 68.0012 40.338 -34.8289 40.3379 18.2641 GPRESSAVG: 3935800 -105.918 -6.06288 -37.9261 -6.35689 67.876 39.3603 -32.6048 42.8378 18.162 TIMING: 3935800 CPU: 11399.7, 0.00286171/step Wall: 11399.7, 0.00286171/step, 0.845954 hours remaining, 210.042969 MB of memory in use. ENERGY: 3935800 757.1449 2144.4425 1919.3132 119.1461 -206360.5307 17740.5066 0.0000 0.0000 34240.1143 -149439.8632 299.0274 -183679.9775 -149343.9743 299.5746 25.8560 60.3155 555648.5535 -6.6406 -6.6266 PRESSURE: 3936000 -10.845 24.821 42.3367 24.8194 -213.16 -2.44965 42.3358 -2.44808 -43.266 GPRESSURE: 3936000 2.78712 28.7436 74.7261 -16.1318 -182.122 68.7157 104.313 -126.263 -0.418561 PRESSAVG: 3936000 9.96684 29.6398 13.3906 29.6399 6.20832 -27.6586 13.3906 -27.6587 -25.1092 GPRESSAVG: 3936000 11.332 31.7467 14.2645 30.2836 6.69272 -26.9427 11.1762 -27.9673 -27.6976 TIMING: 3936000 CPU: 11400.2, 0.00289712/step Wall: 11400.2, 0.00289712/step, 0.856261 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3936000 765.0395 2076.8656 1942.4412 134.5672 -206262.5027 17702.5675 0.0000 0.0000 34129.3234 -149511.6983 298.0599 -183641.0217 -149413.5992 299.0097 -89.0904 -59.9179 555942.3939 -2.9780 -3.2243 PRESSURE: 3936200 -50.4305 9.56014 42.1736 9.56032 -171.622 -64.4737 42.1733 -64.4728 -46.8768 GPRESSURE: 3936200 0.501093 43.4405 23.8483 -33.9249 -100.475 -72.9007 121.329 -58.882 -74.2277 PRESSAVG: 3936200 7.96219 29.3097 -20.8313 29.3097 8.61911 -11.287 -20.8312 -11.287 -34.5281 GPRESSAVG: 3936200 6.99099 25.8376 -21.9726 30.281 8.87291 -12.4266 -17.9314 -10.82 -33.8106 TIMING: 3936200 CPU: 11400.8, 0.00289525/step Wall: 11400.8, 0.00289525/step, 0.855547 hours remaining, 210.042969 MB of memory in use. ENERGY: 3936200 755.5984 2056.5545 1976.4951 106.3671 -206529.8192 17746.1209 0.0000 0.0000 34301.3011 -149587.3821 299.5618 -183888.6832 -149494.1604 298.9719 -89.6431 -58.0671 556065.5057 -5.9823 -5.9822 LDB: ============= START OF LOAD BALANCING ============== 11404.2 LDB: ============== END OF LOAD BALANCING =============== 11404.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11404.2 LDB: ============= START OF LOAD BALANCING ============== 11404.5 LDB: Largest compute 4772 load 0.023785 is 20.2% of average load 0.118033 LDB: Average compute 0.001720 is 1.5% of average load 0.118033 LDB: TIME 11404.5 LOAD: AVG 0.118033 MAX 0.177952 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.609 MB LDB: TIME 11404.5 LOAD: AVG 0.118033 MAX 0.177952 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.648 MB LDB: TIME 11404.5 LOAD: AVG 0.118033 MAX 0.177952 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.648 MB LDB: ============== END OF LOAD BALANCING =============== 11404.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11404.5 PRESSURE: 3936400 -18.2157 4.40484 -39.3849 4.40538 179.599 40.3267 -39.3851 40.3238 -92.9114 GPRESSURE: 3936400 -17.246 124.268 15.413 -99.494 271.283 56.021 -60.4332 44.5197 -83.9698 PRESSAVG: 3936400 75.7447 31.3368 47.9788 31.3369 27.3481 36.0478 47.9788 36.0477 -45.4464 GPRESSAVG: 3936400 76.9064 30.9103 50.4615 32.3012 26.4844 37.5169 45.9562 35.3062 -45.7255 TIMING: 3936400 CPU: 11401.4, 0.00293942/step Wall: 11401.4, 0.00293942/step, 0.868435 hours remaining, 210.351562 MB of memory in use. ENERGY: 3936400 780.7602 2049.6597 1973.3622 108.7865 -206620.3397 18034.0907 0.0000 0.0000 34058.0637 -149615.6166 297.4375 -183673.6803 -149522.5756 298.1051 22.8238 56.6892 557172.5298 19.2155 19.2217 PRESSURE: 3936600 -269.431 26.5396 55.3308 26.5405 -61.6162 48.7208 55.3301 48.7195 -215.87 GPRESSURE: 3936600 -254.003 -67.8829 135.885 127.783 -75.4664 97.0821 -38.0818 61.1349 -132.383 PRESSAVG: 3936600 -54.5569 26.3791 54.761 26.3791 56.0187 4.53679 54.761 4.53677 -16.1601 GPRESSAVG: 3936600 -54.2137 24.9634 54.1892 26.4889 56.5898 5.90748 54.5491 1.71239 -17.3904 TIMING: 3936600 CPU: 11402, 0.00287384/step Wall: 11402, 0.00287384/step, 0.848899 hours remaining, 210.351562 MB of memory in use. ENERGY: 3936600 763.6852 2067.2490 1926.2622 110.5649 -206184.5771 17761.5086 0.0000 0.0000 34084.4680 -149470.8391 297.6681 -183555.3071 -149372.3726 298.5272 -182.3058 -153.9508 559534.2609 -4.8994 -5.0047 PRESSURE: 3936800 137.149 61.4751 1.97125 61.4759 197.703 -146.705 1.97054 -146.704 200.675 GPRESSURE: 3936800 153.782 29.5175 -78.9136 -6.6947 237.075 -162.286 54.2066 -152.361 241.576 PRESSAVG: 3936800 -13.5498 41.0243 3.31584 41.0243 52.7538 -11.736 3.31584 -11.7361 19.846 GPRESSAVG: 3936800 -14.4597 43.1138 0.751929 40.4856 51.8746 -16.0087 4.94316 -9.67964 21.6119 TIMING: 3936800 CPU: 11402.6, 0.00287507/step Wall: 11402.6, 0.00287507/step, 0.849104 hours remaining, 210.351562 MB of memory in use. ENERGY: 3936800 732.5860 2113.0519 1948.0212 107.2061 -206696.1313 18123.8529 0.0000 0.0000 34104.3518 -149567.0615 297.8418 -183671.4132 -149468.5880 297.6845 178.5089 210.8110 555846.3464 19.6833 19.6756 PRESSURE: 3937000 -147.789 146.227 -1.63981 146.225 94.9122 -17.8215 -1.64038 -17.8216 294.008 GPRESSURE: 3937000 -23.4593 173.525 -24.9345 227.201 82.708 27.4391 26.7471 25.4729 284.903 PRESSAVG: 3937000 -42.3939 56.4812 -33.7233 56.4812 35.1524 -32.4604 -33.7234 -32.4605 18.9591 GPRESSAVG: 3937000 -43.322 58.3129 -30.3954 55.2442 35.484 -28.9899 -36.0156 -35.1364 19.6687 TIMING: 3937000 CPU: 11403.1, 0.00286698/step Wall: 11403.1, 0.00286698/step, 0.846556 hours remaining, 210.351562 MB of memory in use. ENERGY: 3937000 724.8270 2030.8661 1952.2676 123.6194 -206466.4817 17966.3507 0.0000 0.0000 34147.1272 -149521.4237 298.2154 -183668.5510 -149430.9262 297.9214 80.3772 114.7172 556412.7369 3.9059 3.9436 PRESSURE: 3937200 217.929 -26.4785 1.62637 -26.48 222.141 -31.4833 1.62695 -31.4833 141.102 GPRESSURE: 3937200 280.815 125.812 4.6584 -119.614 224.021 -1.11429 -95.7377 -32.4833 171.959 PRESSAVG: 3937200 -16.6149 36.9752 -43.1015 36.9753 38.6131 -11.2698 -43.1015 -11.2697 20.5992 GPRESSAVG: 3937200 -15.3564 34.9772 -45.793 37.1834 38.7249 -12.3473 -42.8395 -9.75237 19.0039 TIMING: 3937200 CPU: 11403.7, 0.00289111/step Wall: 11403.7, 0.00289111/step, 0.85352 hours remaining, 210.351562 MB of memory in use. ENERGY: 3937200 740.9057 2091.0315 1946.2075 117.1589 -206862.3165 18244.6890 0.0000 0.0000 34252.2272 -149470.0967 299.1332 -183722.3239 -149374.3076 299.4668 193.7241 225.5985 556558.8833 14.1991 14.1241 PRESSURE: 3937400 274.225 -32.3516 73.1467 -32.3513 130.782 113.689 73.1462 113.689 -64.8443 GPRESSURE: 3937400 247.01 -86.1048 21.4794 -50.9501 179.083 105.668 96.0657 80.7377 8.32062 PRESSAVG: 3937400 7.94487 -25.6733 25.2818 -25.6734 -63.2118 -5.32524 25.2818 -5.32538 73.4668 GPRESSAVG: 3937400 6.67745 -26.2841 26.7352 -27.6603 -63.0567 -5.58302 25.823 -3.16808 74.256 TIMING: 3937400 CPU: 11404.3, 0.00287777/step Wall: 11404.3, 0.00287777/step, 0.849423 hours remaining, 210.351562 MB of memory in use. ENERGY: 3937400 771.7446 2048.4258 1949.3052 102.3163 -206683.2394 17961.8312 0.0000 0.0000 34564.1784 -149285.4379 301.8576 -183849.6163 -149185.8815 299.5517 113.3876 144.8045 556528.9881 6.0666 5.9589 PRESSURE: 3937600 293.339 87.2282 -38.1079 87.2286 -22.1499 99.289 -38.1088 99.2892 38.4987 GPRESSURE: 3937600 350.449 79.177 -31.4181 72.0489 -15.3613 76.7502 -53.7415 107.801 68.4386 PRESSAVG: 3937600 -12.7159 -29.1681 -66.0071 -29.1681 10.2322 7.88728 -66.007 7.88737 15.4644 GPRESSAVG: 3937600 -12.5847 -29.6738 -65.686 -25.1031 10.5019 8.9067 -65.2608 8.30627 14.7556 TIMING: 3937600 CPU: 11404.9, 0.00289213/step Wall: 11404.9, 0.00289213/step, 0.853499 hours remaining, 210.351562 MB of memory in use. ENERGY: 3937600 757.8938 2123.4938 1907.3752 98.9769 -206554.8384 18080.7572 0.0000 0.0000 34388.8530 -149197.4885 300.3264 -183586.3415 -149094.2808 299.6653 103.2293 134.5087 557929.3498 4.3269 4.2243 PRESSURE: 3937800 146.943 -153.103 79.7635 -153.102 43.4568 -58.5223 79.7636 -58.5226 134.912 GPRESSURE: 3937800 245.726 -167.377 2.48232 -99.1792 39.4862 -185.282 86.2567 -51.2726 141.779 PRESSAVG: 3937800 -35.1233 -43.1375 -28.9307 -43.1374 -44.0933 5.47378 -28.9307 5.47382 81.232 GPRESSAVG: 3937800 -34.9617 -42.0788 -28.3512 -46.0716 -44.9798 4.72061 -31.6022 4.18453 81.7114 TIMING: 3937800 CPU: 11405.4, 0.0028787/step Wall: 11405.4, 0.0028787/step, 0.849377 hours remaining, 210.351562 MB of memory in use. ENERGY: 3937800 714.6108 2085.9757 1992.7737 114.4988 -206337.2670 18000.5597 0.0000 0.0000 34149.8115 -149279.0368 298.2388 -183428.8484 -149183.9305 299.3574 108.4372 142.3301 558432.5752 0.6718 0.5900 PRESSURE: 3938000 17.1548 190.259 5.72056 190.26 -228.745 -80.8508 5.72053 -80.8515 -36.6509 GPRESSURE: 3938000 48.3932 144.643 1.78178 150.586 -172.974 -185.098 5.46122 -84.0482 -17.1852 PRESSAVG: 3938000 -5.28202 7.83101 -78.2998 7.83107 -0.721612 -51.1695 -78.2998 -51.1695 30.7098 GPRESSAVG: 3938000 -5.74106 9.24913 -80.3024 9.32157 0.711653 -52.2381 -78.1276 -51.1745 29.5737 TIMING: 3938000 CPU: 11406, 0.00287005/step Wall: 11406, 0.00287005/step, 0.846664 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3938000 744.1733 2077.2580 1938.8284 107.3459 -206043.8144 17755.6236 0.0000 0.0000 34187.5136 -149233.0716 298.5681 -183420.5853 -149135.7436 298.7963 -82.7470 -47.2552 559442.6088 8.2354 8.1814 PRESSURE: 3938200 68.5297 -173.639 144.178 -173.639 -48.6204 -61.1242 144.177 -61.1251 -155.565 GPRESSURE: 3938200 95.88 -66.2399 201.954 -236.278 2.04728 44.507 126.479 -119.232 -141.191 PRESSAVG: 3938200 -10.9268 7.8193 12.9747 7.81933 13.3474 1.88353 12.9747 1.88357 -36.1864 GPRESSAVG: 3938200 -10.38 6.43793 12.697 6.61333 12.4744 0.731187 15.767 1.60726 -36.0046 TIMING: 3938200 CPU: 11406.6, 0.00287526/step Wall: 11406.6, 0.00287526/step, 0.848042 hours remaining, 210.351562 MB of memory in use. ENERGY: 3938200 755.4959 2088.3098 1936.8157 106.4387 -206282.1928 17750.4404 0.0000 0.0000 34254.0006 -149390.6917 299.1487 -183644.6923 -149291.1511 299.1580 -45.2186 -14.4213 557419.8668 -11.2553 -11.3034 PRESSURE: 3938400 42.0607 -76.6888 -203.014 -76.6887 -72.2215 -44.0534 -203.013 -44.0535 -40.0375 GPRESSURE: 3938400 56.4339 10.0708 -182.866 -124.738 -82.8563 -107.378 -280.706 -117.485 56.4374 PRESSAVG: 3938400 22.4792 26.6092 -48.5045 26.6092 42.8801 -18.578 -48.5045 -18.578 -30.0813 GPRESSAVG: 3938400 22.3742 28.5031 -46.4129 24.9214 42.0525 -15.5158 -50.4112 -18.3833 -29.6151 TIMING: 3938400 CPU: 11407.2, 0.00285982/step Wall: 11407.2, 0.00285982/step, 0.843328 hours remaining, 210.351562 MB of memory in use. ENERGY: 3938400 783.5955 2061.7771 1960.6155 105.9914 -206527.1611 17972.4652 0.0000 0.0000 34105.7907 -149536.9256 297.8544 -183642.7163 -149440.7365 298.9617 -23.3994 10.0050 557684.8261 11.7593 11.6039 PRESSURE: 3938600 200.1 -137.319 -128.735 -137.317 235.998 -183.55 -128.735 -183.55 -35.4157 GPRESSURE: 3938600 245.545 -92.9149 -265.248 -121.732 265.329 -205.59 -69.6395 -167.533 -7.1029 PRESSAVG: 3938600 110.476 11.8633 -72.3944 11.8633 -10.2947 -25.4144 -72.3945 -25.4145 -28.982 GPRESSAVG: 3938600 110.817 10.1393 -73.6698 14.9564 -10.121 -26.7515 -70.4779 -25.96 -29.2929 TIMING: 3938600 CPU: 11407.7, 0.0028629/step Wall: 11407.7, 0.0028629/step, 0.84408 hours remaining, 210.351562 MB of memory in use. ENERGY: 3938600 724.6818 2048.8482 1950.4190 131.5563 -206645.2044 17933.1665 0.0000 0.0000 34317.9372 -149538.5955 299.7071 -183856.5326 -149441.3056 298.6405 133.5607 167.9235 555918.9361 23.7332 23.8011 PRESSURE: 3938800 273.038 -50.7039 -37.6218 -50.7048 177.292 -86.9494 -37.623 -86.949 -21.2106 GPRESSURE: 3938800 278.095 -30.6136 34.0009 -77.2263 181.302 48.048 -54.2048 -123.607 59.6294 PRESSAVG: 3938800 27.8985 -0.248541 -44.7946 -0.248592 9.62288 -7.67818 -44.7947 -7.67813 -38.3177 GPRESSAVG: 3938800 27.1958 -0.182717 -44.585 0.234049 9.2396 -9.12651 -46.7035 -6.35876 -37.7965 TIMING: 3938800 CPU: 11408.3, 0.00285908/step Wall: 11408.3, 0.00285908/step, 0.842792 hours remaining, 210.351562 MB of memory in use. ENERGY: 3938800 724.8241 2154.3479 1935.0562 127.1378 -206651.6621 17915.7149 0.0000 0.0000 34083.7091 -149710.8722 297.6615 -183794.5812 -149623.9143 297.8552 143.0397 173.0086 555435.1322 -0.2654 -0.4537 PRESSURE: 3939000 -246.97 -77.6426 -43.8068 -77.6434 -47.3107 -105.67 -43.8062 -105.67 56.3908 GPRESSURE: 3939000 -205.361 -32.2 -8.84754 -26.8795 -51.9369 -95.5427 24.8785 -108.638 119.985 PRESSAVG: 3939000 -1.92202 -0.172572 -5.75346 -0.172563 -13.614 22.6349 -5.75347 22.6349 36.8239 GPRESSAVG: 3939000 -1.97725 2.26224 -7.39243 -2.58778 -12.615 23.7531 -4.30373 23.142 35.9588 TIMING: 3939000 CPU: 11408.9, 0.00287865/step Wall: 11408.9, 0.00287865/step, 0.848401 hours remaining, 210.351562 MB of memory in use. ENERGY: 3939000 712.1572 2082.8166 1937.4513 114.0410 -206797.4855 17929.4066 0.0000 0.0000 34337.1357 -149684.4772 299.8747 -184021.6128 -149584.6522 297.6500 -79.2966 -45.7711 556550.9963 7.0959 7.1222 PRESSURE: 3939200 -66.8868 -112.853 -38.2525 -112.853 -100.751 88.9804 -38.2527 88.9801 97.5112 GPRESSURE: 3939200 -52.1842 -54.2448 -41.0554 -167.305 -46.5644 97.38 -3.57217 110.574 144.446 PRESSAVG: 3939200 6.96717 -72.5661 3.09748 -72.566 33.9853 -10.8237 3.09743 -10.8238 32.3889 GPRESSAVG: 3939200 5.89946 -73.8921 3.49084 -71.6678 33.5991 -10.42 2.21975 -11.3539 33.6393 TIMING: 3939200 CPU: 11409.4, 0.00285994/step Wall: 11409.4, 0.00285994/step, 0.842729 hours remaining, 210.406250 MB of memory in use. ENERGY: 3939200 723.3054 2069.7257 1931.2371 103.9157 -206562.5263 17829.1940 0.0000 0.0000 34247.5812 -149657.5672 299.0926 -183905.1484 -149555.3554 297.9626 -23.3755 15.2326 556821.9571 24.4471 24.3793 PRESSURE: 3939400 60.2936 92.226 -127.796 92.226 -50.7841 -60.855 -127.797 -60.8541 -127.514 GPRESSURE: 3939400 112.944 160.288 -49.1342 48.8969 2.19768 16.6166 -64.3004 -85.9233 -140.542 PRESSAVG: 3939400 5.55454 12.0212 -16.2102 12.0213 -2.86872 73.3014 -16.2103 73.3014 -7.35752 GPRESSAVG: 3939400 5.61977 12.3251 -16.3864 12.0963 -1.32156 73.916 -14.0987 71.9923 -8.77241 TIMING: 3939400 CPU: 11410, 0.00284569/step Wall: 11410, 0.00284569/step, 0.838372 hours remaining, 210.406250 MB of memory in use. ENERGY: 3939400 745.4442 2109.2858 1934.3478 110.8091 -206568.8615 17803.0143 0.0000 0.0000 34480.0130 -149385.9475 301.1225 -183865.9604 -149291.4807 299.0091 -39.3347 -8.4668 557835.4074 -1.5572 -1.4914 PRESSURE: 3939600 112.448 -53.9946 -90.2897 -53.9951 -141.585 30.2633 -90.2898 30.2633 47.3566 GPRESSURE: 3939600 98.1035 -61.8119 -1.45121 -104.384 -117.29 61.086 -55.667 21.2243 123.583 PRESSAVG: 3939600 -0.873557 -6.01216 -26.197 -6.01209 1.38218 -18.0818 -26.197 -18.0818 -35.5531 GPRESSAVG: 3939600 -0.303685 -5.60141 -27.0271 -3.21499 1.7335 -16.7462 -28.2931 -18.2492 -35.9486 TIMING: 3939600 CPU: 11410.6, 0.0028849/step Wall: 11410.6, 0.0028849/step, 0.849763 hours remaining, 210.406250 MB of memory in use. ENERGY: 3939600 725.5855 2126.7958 1925.8900 102.4494 -206348.2717 17778.8651 0.0000 0.0000 34405.4346 -149283.2514 300.4712 -183688.6859 -149180.9928 299.2584 6.0730 34.7987 556240.1707 -11.6815 -11.5062 PRESSURE: 3939800 -111.119 -62.4369 99.8717 -62.4367 -119.443 -15.7076 99.8716 -15.7076 105.17 GPRESSURE: 3939800 -74.5788 37.1248 107.846 -59.2963 -82.551 -5.8117 24.1902 35.3716 126.18 PRESSAVG: 3939800 16.2825 -10.8569 22.3041 -10.857 40.4203 -43.9601 22.3041 -43.9601 16.9596 GPRESSAVG: 3939800 14.9931 -11.7085 21.8903 -10.5851 39.9387 -46.0341 23.5235 -42.5897 18.873 TIMING: 3939800 CPU: 11411.2, 0.00289378/step Wall: 11411.2, 0.00289378/step, 0.852218 hours remaining, 210.406250 MB of memory in use. ENERGY: 3939800 794.1115 2087.6416 1954.7744 118.5911 -205968.3038 17785.8871 0.0000 0.0000 34010.1300 -149217.1679 297.0189 -183227.2980 -149121.9177 299.5182 -41.7973 -10.3165 556887.1846 24.5541 24.6016 PRESSURE: 3940000 124.2 -84.8145 -56.5911 -84.8143 191.846 59.4267 -56.5902 59.4246 -108.477 GPRESSURE: 3940000 204.325 -108.134 -45.4158 -46.3189 166.851 6.11127 -44.6992 76.7768 -73.0103 PRESSAVG: 3940000 -126.465 -3.71203 11.7617 -3.71206 34.1266 -19.2541 11.7617 -19.2541 18.898 GPRESSAVG: 3940000 -125.409 -4.12094 14.6036 -5.58366 34.2275 -17.6395 9.14651 -21.4227 17.7592 TIMING: 3940000 CPU: 11411.8, 0.00287901/step Wall: 11411.8, 0.00287901/step, 0.84771 hours remaining, 210.406250 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: 3940000 754.2857 2112.5896 1961.0835 115.0157 -206762.1214 18065.2571 0.0000 0.0000 34415.1641 -149338.7257 300.5562 -183753.8898 -149244.1022 299.6349 69.1896 99.3885 556586.0570 -24.4803 -24.4740 PRESSURE: 3940200 -432.859 39.2086 -26.9764 39.2061 -238.233 -26.6851 -26.9759 -26.6845 21.1904 GPRESSURE: 3940200 -412.359 57.9743 36.0324 -26.3584 -197.511 -26.7769 -73.3089 29.071 69.9907 PRESSAVG: 3940200 7.75268 1.55658 -4.5545 1.55665 34.9121 31.7688 -4.55447 31.7687 -44.7226 GPRESSAVG: 3940200 8.53808 2.33451 -4.57152 -0.549516 34.7834 32.123 -3.6084 33.3053 -45.4823 TIMING: 3940200 CPU: 11412.3, 0.00288074/step Wall: 11412.3, 0.00288074/step, 0.848057 hours remaining, 210.406250 MB of memory in use. ENERGY: 3940200 753.9685 2094.2809 1985.0066 103.5096 -205833.0183 17422.1702 0.0000 0.0000 34164.0028 -149310.0797 298.3627 -183474.0825 -149207.5895 299.3688 -216.6339 -179.9598 557702.8998 -0.6860 -0.7203 LDB: ============= START OF LOAD BALANCING ============== 11415.7 LDB: ============== END OF LOAD BALANCING =============== 11415.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11415.7 LDB: ============= START OF LOAD BALANCING ============== 11416 LDB: Largest compute 4792 load 0.023358 is 19.8% of average load 0.118040 LDB: Average compute 0.001718 is 1.5% of average load 0.118040 LDB: TIME 11416 LOAD: AVG 0.11804 MAX 0.179819 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.051 MB LDB: TIME 11416 LOAD: AVG 0.11804 MAX 0.179819 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.113 MB LDB: TIME 11416 LOAD: AVG 0.11804 MAX 0.179819 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.113 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11416 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11416 PRESSURE: 3940400 -152.144 32.72 5.44835 32.7203 -112.697 -41.0855 5.44878 -41.0867 -20.2716 GPRESSURE: 3940400 -105.459 108.643 -16.3269 -4.37433 -112.306 80.3133 -48.0557 -51.1322 28.3265 PRESSAVG: 3940400 -17.4136 65.9305 -29.4451 65.9305 -26.8501 4.12895 -29.445 4.12889 43.2401 GPRESSAVG: 3940400 -17.4723 66.4302 -29.5529 67.7947 -26.8372 3.53612 -28.3096 3.63793 43.175 TIMING: 3940400 CPU: 11412.9, 0.00291601/step Wall: 11412.9, 0.00291601/step, 0.85828 hours remaining, 212.460938 MB of memory in use. ENERGY: 3940400 728.8249 2059.0173 1940.5917 127.2278 -206218.6660 17687.0723 0.0000 0.0000 34362.8444 -149313.0875 300.0993 -183675.9319 -149218.1140 299.6693 -95.0376 -63.1460 557160.0876 -0.3412 -0.3782 PRESSURE: 3940600 -99.932 196.322 -27.5786 196.323 34.94 18.8026 -27.5796 18.8025 48.7139 GPRESSURE: 3940600 -137.936 203.005 -27.6098 163.101 128.099 105.607 -2.67503 -14.2481 86.8937 PRESSAVG: 3940600 16.0435 36.3701 -50.8736 36.3701 -60.576 -37.5407 -50.8736 -37.5407 16.4779 GPRESSAVG: 3940600 13.789 35.1792 -49.5709 36.0318 -59.9945 -38.4951 -53.6884 -36.0596 17.7958 TIMING: 3940600 CPU: 11413.5, 0.00289548/step Wall: 11413.5, 0.00289548/step, 0.852074 hours remaining, 212.664062 MB of memory in use. ENERGY: 3940600 770.3009 2035.4734 1958.9546 113.9581 -206367.4123 17911.0990 0.0000 0.0000 34237.7438 -149339.8826 299.0067 -183577.6263 -149249.4812 299.0959 -5.4260 25.6855 556248.4381 -9.3515 -9.4699 PRESSURE: 3940800 71.7688 -14.9639 -63.8358 -14.9645 -355.755 -92.176 -63.8357 -92.1758 146.11 GPRESSURE: 3940800 105.131 -71.047 -29.5452 -2.14486 -276.658 -155.134 -154.765 -71.6459 133.319 PRESSAVG: 3940800 -32.651 58.4645 -39.7478 58.4645 -14.2126 -22.1424 -39.7478 -22.1423 45.4137 GPRESSAVG: 3940800 -31.4343 60.2626 -41.796 58.0606 -15.8067 -22.2102 -38.774 -23.7531 45.2796 TIMING: 3940800 CPU: 11414.1, 0.00287395/step Wall: 11414.1, 0.00287395/step, 0.84558 hours remaining, 212.664062 MB of memory in use. ENERGY: 3940800 761.2294 2043.5045 1947.9373 102.9285 -206351.5904 17766.4446 0.0000 0.0000 34390.0602 -149339.4859 300.3369 -183729.5461 -149246.1231 299.2582 -45.9586 -12.7359 555972.0087 -0.4833 -0.6538 PRESSURE: 3941000 -131.542 74.2842 123.598 74.2832 -143.042 -68.6259 123.597 -68.6259 -127.941 GPRESSURE: 3941000 -83.7627 148.558 158.996 28.6729 -118.178 -41.6422 134.189 -121.459 -91.5179 PRESSAVG: 3941000 -30.5533 23.8618 -42.6017 23.8618 -11.6481 -91.2834 -42.6018 -91.2833 50.4116 GPRESSAVG: 3941000 -29.8024 23.7772 -41.504 23.7045 -10.5674 -91.5987 -41.1851 -90.6411 48.8942 TIMING: 3941000 CPU: 11414.6, 0.00289252/step Wall: 11414.6, 0.00289252/step, 0.850883 hours remaining, 212.664062 MB of memory in use. ENERGY: 3941000 748.7971 2081.5351 1988.9391 100.0446 -206033.6958 17493.2818 0.0000 0.0000 34296.7717 -149324.3264 299.5222 -183621.0981 -149229.5755 299.3820 -134.1748 -97.8195 556158.1665 2.7367 2.8415 PRESSURE: 3941200 42.804 157.835 -42.5553 157.837 -153.554 131.074 -42.5563 131.074 -80.1793 GPRESSURE: 3941200 27.4466 213.874 -21.1252 69.437 -95.1178 175.795 -3.11084 153.248 -32.4058 PRESSAVG: 3941200 17.2321 33.0055 66.0561 33.0055 -16.4422 -20.2725 66.0561 -20.2725 -13.5643 GPRESSAVG: 3941200 16.5542 31.4412 66.9879 35.9233 -16.3741 -19.607 64.3263 -20.7488 -12.8731 TIMING: 3941200 CPU: 11415.2, 0.00288914/step Wall: 11415.2, 0.00288914/step, 0.849729 hours remaining, 212.664062 MB of memory in use. ENERGY: 3941200 745.3525 2111.7739 1952.9433 105.7426 -206346.0334 17786.4917 0.0000 0.0000 34337.8385 -149305.8909 299.8809 -183643.7294 -149205.5082 299.2604 -63.6430 -33.3590 557404.3668 -4.2581 -4.2310 PRESSURE: 3941400 -358.892 99.5788 -59.6249 99.579 -103.528 -53.35 -59.6244 -53.35 -148.676 GPRESSURE: 3941400 -273.901 70.9475 -48.7783 150.763 -139.096 -43.2557 -23.7262 8.77924 -101.486 PRESSAVG: 3941400 -14.6409 129.177 -22.2093 129.177 32.9842 24.0531 -22.2094 24.053 19.0515 GPRESSAVG: 3941400 -13.6284 131.326 -23.4866 127.27 30.8543 24.8341 -21.1397 24.8247 19.4474 TIMING: 3941400 CPU: 11415.8, 0.00287162/step Wall: 11415.8, 0.00287162/step, 0.844415 hours remaining, 212.664062 MB of memory in use. ENERGY: 3941400 766.1455 2130.3753 1940.4874 105.2018 -206265.1849 17540.0451 0.0000 0.0000 34269.8323 -149513.0975 299.2870 -183782.9298 -149407.7595 298.8820 -203.6987 -171.4942 556500.4023 12.4649 12.2245 PRESSURE: 3941600 155.471 -66.5374 -62.9854 -66.5364 -243.129 -148.904 -62.9858 -148.904 95.1149 GPRESSURE: 3941600 171.045 -139.605 -60.6749 -79.4123 -178.965 -100.257 -42.0561 -114.921 118.581 PRESSAVG: 3941600 -21.4083 27.6228 -18.5961 27.6227 -45.5073 12.3504 -18.596 12.3503 64.1628 GPRESSAVG: 3941600 -22.6198 26.3165 -19.6359 25.6309 -43.001 11.4568 -17.6207 12.6148 62.6796 TIMING: 3941600 CPU: 11416.4, 0.00288914/step Wall: 11416.4, 0.00288914/step, 0.849408 hours remaining, 212.664062 MB of memory in use. ENERGY: 3941600 789.5230 2135.9217 1952.9513 125.6744 -206722.3147 17931.3581 0.0000 0.0000 34311.1374 -149475.7488 299.6477 -183786.8862 -149374.4470 298.7178 2.4856 36.8872 555938.0283 -0.9176 -0.9804 PRESSURE: 3941800 -22.6305 62.4252 90.2555 62.4259 -87.9303 33.2701 90.2564 33.2694 95.0007 GPRESSURE: 3941800 46.065 103.371 91.866 10.5505 -77.1608 -27.5807 8.18484 53.9853 99.296 PRESSAVG: 3941800 36.4363 16.3181 -28.8555 16.3181 -40.6268 -33.4794 -28.8555 -33.4794 10.2552 GPRESSAVG: 3941800 36.9546 17.8716 -27.5315 16.4831 -42.6254 -32.9675 -30.08 -34.5349 10.7303 TIMING: 3941800 CPU: 11416.9, 0.00287795/step Wall: 11416.9, 0.00287795/step, 0.845958 hours remaining, 212.664062 MB of memory in use. ENERGY: 3941800 778.6680 2096.9235 1979.3314 105.5339 -206754.0224 17974.2766 0.0000 0.0000 34455.1786 -149364.1102 300.9056 -183819.2888 -149269.6272 299.5021 -5.1867 22.7334 556959.7370 2.0216 1.6865 PRESSURE: 3942000 118.806 209.821 -94.2814 209.822 13.2072 -6.11938 -94.2824 -6.11922 -78.274 GPRESSURE: 3942000 133.062 170.277 -29.3514 226.543 20.34 22.709 -62.5413 13.3685 -3.26537 PRESSAVG: 3942000 38.5247 44.6083 23.501 44.6082 -57.203 -23.5917 23.5011 -23.5917 65.7418 GPRESSAVG: 3942000 37.6025 44.2493 25.0901 44.1128 -57.2822 -23.8693 23.009 -21.972 66.7126 TIMING: 3942000 CPU: 11417.5, 0.00288089/step Wall: 11417.5, 0.0028809/step, 0.846663 hours remaining, 212.664062 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: 3942000 741.4363 2091.5843 1952.6014 109.8610 -206470.7148 17901.0123 0.0000 0.0000 34127.5888 -149546.6307 298.0447 -183674.2195 -149446.3711 298.7298 17.9131 50.0455 558735.5307 15.6878 15.6777 PRESSURE: 3942200 40.9196 10.7119 72.5549 10.712 -106.438 -35.2232 72.5548 -35.2241 -347.045 GPRESSURE: 3942200 -11.0497 -24.4687 132.213 118.656 3.65807 -50.4362 29.0144 -10.2172 -299.26 PRESSAVG: 3942200 7.0094 -21.4314 36.3647 -21.4314 -10.4684 -6.34375 36.3647 -6.34381 -27.6369 GPRESSAVG: 3942200 6.50453 -21.146 34.1675 -18.5959 -8.97765 -7.28405 37.7229 -6.24215 -28.4965 TIMING: 3942200 CPU: 11418.1, 0.00289405/step Wall: 11418.1, 0.00289405/step, 0.85037 hours remaining, 212.664062 MB of memory in use. ENERGY: 3942200 756.9014 2042.4964 1940.3830 111.8999 -206089.7085 17678.3333 0.0000 0.0000 34329.3725 -149230.3219 299.8069 -183559.6944 -149133.8083 298.4323 -137.5211 -102.2171 558662.9050 -10.3653 -10.3232 PRESSURE: 3942400 -43.7526 137.419 16.0441 137.419 120.489 27.2326 16.0441 27.234 127.465 GPRESSURE: 3942400 -14.4353 129.654 21.2433 56.4769 123.336 84.6052 -8.77047 36.6699 177.561 PRESSAVG: 3942400 7.85778 1.68526 -7.12374 1.68515 15.0969 57.7652 -7.12366 57.7652 22.5662 GPRESSAVG: 3942400 7.82077 2.10966 -7.7472 -0.779229 13.8637 59.564 -8.04292 57.2281 23.7559 TIMING: 3942400 CPU: 11418.7, 0.00290028/step Wall: 11418.7, 0.00290028/step, 0.852037 hours remaining, 212.664062 MB of memory in use. ENERGY: 3942400 737.2589 2113.6881 1942.4427 130.7911 -206484.1705 17917.2742 0.0000 0.0000 34444.3742 -149198.3412 300.8113 -183642.7154 -149106.6972 299.4560 68.0673 95.4871 556763.4067 15.1736 15.1468 PRESSURE: 3942600 -37.0568 136.039 -243.143 136.039 132.138 -48.1494 -243.145 -48.1492 107.518 GPRESSURE: 3942600 -26.5207 81.0059 -270.202 92.1261 174.795 -37.8207 -192.048 38.1485 137.914 PRESSAVG: 3942600 -56.7438 42.5678 -67.424 42.5679 -19.9635 -57.1582 -67.424 -57.1582 45.8293 GPRESSAVG: 3942600 -56.3998 41.9662 -66.7251 44.8212 -19.7415 -55.7173 -67.0483 -58.1713 45.0238 TIMING: 3942600 CPU: 11419.3, 0.00287281/step Wall: 11419.3, 0.00287281/step, 0.843808 hours remaining, 212.664062 MB of memory in use. ENERGY: 3942600 782.1167 2109.4582 1937.3912 105.3809 -206204.0059 17938.5630 0.0000 0.0000 34238.3788 -149092.7170 299.0123 -183331.0958 -148993.1904 299.5187 67.5332 95.3962 556580.9426 -10.2927 -10.3725 PRESSURE: 3942800 -29.6621 -33.5758 74.6794 -33.5748 -4.07446 14.3359 74.6787 14.3349 64.546 GPRESSURE: 3942800 -18.653 -37.3319 89.1779 -39.5068 89.2958 -22.0101 51.5434 9.58511 66.8041 PRESSAVG: 3942800 -46.4578 109.899 -69.5698 109.899 9.50501 -32.9768 -69.5698 -32.9769 48.7365 GPRESSAVG: 3942800 -47.4457 110.168 -70.629 110.367 10.544 -38.2662 -66.6543 -29.748 48.9688 TIMING: 3942800 CPU: 11419.8, 0.00287762/step Wall: 11419.8, 0.00287762/step, 0.845061 hours remaining, 212.664062 MB of memory in use. ENERGY: 3942800 738.5414 2113.5942 1956.9147 116.2484 -206204.3670 17811.7542 0.0000 0.0000 34373.9425 -149093.3717 300.1962 -183467.3141 -148995.7168 299.5541 10.2698 45.8156 556535.5050 3.9279 4.0224 PRESSURE: 3943000 79.8864 60.0598 11.9946 60.0609 83.2129 -100.87 11.9952 -100.869 -28.9524 GPRESSURE: 3943000 112.968 165.565 40.4622 79.1921 79.6143 -123.892 8.87365 -13.5254 19.8419 PRESSAVG: 3943000 19.7054 32.6671 -2.28054 32.667 33.4703 -11.0094 -2.28061 -11.0095 15.2544 GPRESSAVG: 3943000 20.925 32.4181 1.47612 31.55 32.1616 -8.49539 -5.25119 -12.3325 15.1606 TIMING: 3943000 CPU: 11420.4, 0.00287051/step Wall: 11420.4, 0.00287051/step, 0.842815 hours remaining, 212.664062 MB of memory in use. ENERGY: 3943000 735.1802 2166.1987 1981.6685 114.2385 -206249.4179 17916.6454 0.0000 0.0000 34116.6073 -149218.8792 297.9488 -183335.4865 -149122.6251 299.3355 44.7156 70.8080 557572.8838 22.8100 22.7491 PRESSURE: 3943200 -191.856 135.717 89.1759 135.717 39.8085 21.7821 89.1753 21.7834 43.5367 GPRESSURE: 3943200 -123.321 62.6321 134.698 81.9227 61.6571 15.1256 62.8193 -16.6219 55.3604 PRESSAVG: 3943200 -15.1568 8.60353 -35.4681 8.60343 3.02367 21.0693 -35.468 21.0692 10.8938 GPRESSAVG: 3943200 -14.9476 9.23574 -38.5307 9.84388 2.68012 21.9227 -35.115 19.1334 10.7989 TIMING: 3943200 CPU: 11421, 0.00287733/step Wall: 11421, 0.00287733/step, 0.844657 hours remaining, 212.664062 MB of memory in use. ENERGY: 3943200 745.1949 2088.1484 1949.9082 108.0534 -206006.8559 17734.9766 0.0000 0.0000 34209.7432 -149170.8312 298.7622 -183380.5744 -149076.1877 299.6407 -36.1703 -2.1013 558211.1070 -0.4131 -0.4895 PRESSURE: 3943400 47.7368 48.5889 42.1232 48.589 -128.314 -47.6916 42.1231 -47.6905 -62.3975 GPRESSURE: 3943400 11.4601 58.8566 19.425 53.8695 -61.5659 19.36 37.6474 -45.5203 6.6956 PRESSAVG: 3943400 49.0616 15.9383 -9.31078 15.9382 -61.7567 -7.05346 -9.3108 -7.05345 -8.96551 GPRESSAVG: 3943400 49.3081 15.0991 -9.72679 16.0289 -60.6568 -7.63442 -8.16674 -6.35565 -10.1822 TIMING: 3943400 CPU: 11421.6, 0.00287386/step Wall: 11421.6, 0.00287386/step, 0.843479 hours remaining, 212.664062 MB of memory in use. ENERGY: 3943400 768.7825 2116.0888 1971.3105 107.7977 -206172.2664 17791.2409 0.0000 0.0000 34341.6004 -149075.4456 299.9137 -183417.0460 -148974.2731 300.0414 -47.6581 -14.4701 558392.7458 -7.2202 -7.1770 PRESSURE: 3943600 -27.5489 91.0841 10.6674 91.084 143.036 49.8379 10.6674 49.8362 -264.589 GPRESSURE: 3943600 18.6002 110.61 -98.8584 96.8454 183.494 -13.0792 88.5763 138.53 -244.647 PRESSAVG: 3943600 -19.1399 -2.44271 -20.2506 -2.44275 -43.4592 7.93903 -20.2506 7.939 61.0621 GPRESSAVG: 3943600 -19.0633 -3.26482 -20.1382 -3.04989 -43.8217 8.8244 -22.2716 9.20612 61.6006 TIMING: 3943600 CPU: 11422.1, 0.00286707/step Wall: 11422.1, 0.00286707/step, 0.841325 hours remaining, 212.664062 MB of memory in use. ENERGY: 3943600 724.7769 2041.0503 1946.6205 110.9083 -206333.9044 17810.7498 0.0000 0.0000 34602.8001 -149096.9984 302.1949 -183699.7985 -148999.8114 300.6482 -49.7006 -14.1842 557961.2755 -0.5123 -0.4281 PRESSURE: 3943800 105.481 77.9323 -116.579 77.9323 110.945 -73.8364 -116.578 -73.8369 -37.425 GPRESSURE: 3943800 100.859 154.983 -101.21 -12.2429 191.064 -35.9393 -69.2083 -166.393 2.46553 PRESSAVG: 3943800 -46.4502 19.3264 -44.9288 19.3264 10.2107 -15.345 -44.9287 -15.345 29.21 GPRESSAVG: 3943800 -48.0097 19.863 -44.8295 20.0235 10.2096 -15.3141 -42.1545 -15.4931 30.9997 TIMING: 3943800 CPU: 11422.7, 0.00288337/step Wall: 11422.7, 0.00288337/step, 0.845949 hours remaining, 212.664062 MB of memory in use. ENERGY: 3943800 734.1918 2050.2292 1955.0614 101.8135 -206324.6282 18033.2855 0.0000 0.0000 34247.3606 -149202.6863 299.0907 -183450.0469 -149110.5689 299.5022 59.6668 98.1294 558598.2128 -2.3431 -2.2668 PRESSURE: 3944000 -90.3454 133.753 -212.089 133.752 261.365 18.61 -212.088 18.6089 -226.079 GPRESSURE: 3944000 -3.44383 188.047 -223.802 112.704 256.523 29.3303 -183.245 0.711814 -218.343 PRESSAVG: 3944000 -41.0649 50.328 -38.5593 50.328 66.8713 33.8033 -38.5595 33.8031 -15.7578 GPRESSAVG: 3944000 -39.5458 52.1911 -38.8142 48.9776 65.8273 34.3149 -39.9094 34.4544 -16.4559 TIMING: 3944000 CPU: 11423.3, 0.00289095/step Wall: 11423.3, 0.00289095/step, 0.848012 hours remaining, 212.664062 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: 3944000 761.9827 2107.1927 1955.3517 109.3105 -206227.1380 17713.8785 0.0000 0.0000 34478.3085 -149101.1133 301.1076 -183579.4219 -149006.3806 299.4907 -18.3532 11.5786 557932.9847 3.3496 3.2752 PRESSURE: 3944200 101.995 -57.2616 84.6595 -57.2618 253.793 240.077 84.6594 240.077 -96.0694 GPRESSURE: 3944200 126.865 -102.023 114.097 -43.0923 290.196 169.145 21.2995 238.208 -61.9763 PRESSAVG: 3944200 -20.0378 -10.7342 1.40344 -10.7341 43.5893 8.59291 1.4035 8.593 -1.6894 GPRESSAVG: 3944200 -18.9289 -10.644 1.30905 -10.6104 42.3821 5.83906 2.207 8.34076 -1.48975 TIMING: 3944200 CPU: 11423.9, 0.00290117/step Wall: 11423.9, 0.00290117/step, 0.850849 hours remaining, 212.664062 MB of memory in use. ENERGY: 3944200 714.7193 2114.1221 1976.8805 106.7340 -206172.4974 17719.5245 0.0000 0.0000 34346.2969 -149194.2201 299.9548 -183540.5170 -149101.0732 299.9860 86.5730 118.3613 557023.6812 7.2874 7.3212 LDB: ============= START OF LOAD BALANCING ============== 11427.3 LDB: ============== END OF LOAD BALANCING =============== 11427.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11427.3 LDB: ============= START OF LOAD BALANCING ============== 11427.5 LDB: Largest compute 4792 load 0.023920 is 20.3% of average load 0.117964 LDB: Average compute 0.001720 is 1.5% of average load 0.117964 LDB: TIME 11427.5 LOAD: AVG 0.117964 MAX 0.180747 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.398 MB LDB: TIME 11427.5 LOAD: AVG 0.117964 MAX 0.180747 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.398 MB LDB: TIME 11427.5 LOAD: AVG 0.117964 MAX 0.180747 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11427.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11427.6 PRESSURE: 3944400 -19.0335 -88.0164 4.72508 -88.015 58.5074 -159.962 4.72483 -159.961 336.806 GPRESSURE: 3944400 34.8922 -122.874 -22.5606 -80.1746 31.072 -128.227 26.9747 -188.726 400.174 PRESSAVG: 3944400 21.8765 -34.5156 61.3776 -34.5157 -19.6763 -18.2262 61.3776 -18.2261 21.6679 GPRESSAVG: 3944400 20.4391 -37.4525 62.0798 -32.0368 -18.7569 -17.2193 59.9336 -19.3769 21.6317 TIMING: 3944400 CPU: 11424.5, 0.00295631/step Wall: 11424.5, 0.00295631/step, 0.866855 hours remaining, 210.863281 MB of memory in use. ENERGY: 3944400 769.2180 2074.1795 1946.4013 117.0085 -206295.5582 17900.0038 0.0000 0.0000 34391.5538 -149097.1933 300.3500 -183488.7471 -149001.4474 299.5913 125.4266 155.3793 556743.9414 7.9560 7.7713 PRESSURE: 3944600 -66.3751 2.42364 22.7765 2.42456 -148.878 -42.5045 22.7761 -42.5061 -69.4387 GPRESSURE: 3944600 -6.38308 28.5778 -51.0262 -47.3577 -79.9616 -40.1855 48.7205 -69.8049 -95.1871 PRESSAVG: 3944600 -66.2275 18.8044 26.691 18.8045 63.6149 -58.1178 26.691 -58.1179 34.4178 GPRESSAVG: 3944600 -65.3482 20.9727 26.1236 16.2357 63.4422 -56.5185 26.0595 -56.8901 33.9765 TIMING: 3944600 CPU: 11425, 0.00288428/step Wall: 11425, 0.00288428/step, 0.845575 hours remaining, 211.066406 MB of memory in use. ENERGY: 3944600 771.4196 2122.5921 1962.0521 113.7669 -206147.8150 17725.9769 0.0000 0.0000 34277.4370 -149174.5704 299.3534 -183452.0074 -149070.6205 300.1469 -94.8974 -60.5106 556203.0378 10.6017 10.6901 PRESSURE: 3944800 304.181 -165.407 -88.843 -165.407 183.486 -135.169 -88.8421 -135.169 507.44 GPRESSURE: 3944800 300.898 -198.046 -112.391 -78.0124 294.883 -206.23 -53.1288 -144.267 502.466 PRESSAVG: 3944800 -32.1616 -26.4232 6.92738 -26.4231 8.22184 -29.195 6.92735 -29.195 23.6748 GPRESSAVG: 3944800 -31.7655 -28.9868 4.76383 -22.7003 8.70821 -28.7419 8.67703 -28.5793 23.3577 TIMING: 3944800 CPU: 11425.6, 0.0029022/step Wall: 11425.6, 0.0029022/step, 0.850668 hours remaining, 211.066406 MB of memory in use. ENERGY: 3944800 719.8141 2099.5659 1939.5229 116.2918 -206677.9937 18388.1051 0.0000 0.0000 34303.1601 -149111.5337 299.5780 -183414.6939 -149021.5770 298.9171 331.7023 366.0826 556451.9390 -0.0883 0.1002 PRESSURE: 3945000 -46.5285 -33.2781 50.6102 -33.2777 -17.5643 -37.7351 50.61 -37.7349 -115.305 GPRESSURE: 3945000 -27.6953 -83.7893 74.2958 -22.4505 19.7409 -0.577777 22.5793 -54.1444 -62.3789 PRESSAVG: 3945000 -56.4032 -81.4373 25.5148 -81.4373 -31.3843 -6.07903 25.5149 -6.07917 71.9051 GPRESSAVG: 3945000 -57.149 -79.8029 27.4656 -83.7268 -31.3597 -7.24736 24.8339 -8.42539 72.8055 TIMING: 3945000 CPU: 11426.2, 0.00288079/step Wall: 11426.2, 0.00288079/step, 0.844232 hours remaining, 211.066406 MB of memory in use. ENERGY: 3945000 728.5274 2087.8616 1933.8522 102.1989 -205808.0509 17704.8713 0.0000 0.0000 34130.3650 -149120.3745 298.0690 -183250.7394 -149021.2069 299.1594 -59.7994 -23.4445 558069.3653 -5.2941 -5.2344 PRESSURE: 3945200 -107.311 21.635 -141.839 21.6374 -88.6615 221.767 -141.839 221.767 -178.07 GPRESSURE: 3945200 -37.119 -3.14697 -148.551 39.5173 -45.3017 133.16 -103.963 271.737 -190.754 PRESSAVG: 3945200 36.4563 -75.193 23.9867 -75.1929 -22.4958 -21.8322 23.9867 -21.8323 -34.6966 GPRESSAVG: 3945200 36.2423 -74.9877 23.0804 -74.5779 -23.2972 -20.553 24.3654 -21.185 -34.0009 TIMING: 3945200 CPU: 11426.8, 0.00288967/step Wall: 11426.8, 0.00288967/step, 0.846672 hours remaining, 211.066406 MB of memory in use. ENERGY: 3945200 725.2375 2137.7374 1946.3703 110.4486 -205609.9855 17533.5976 0.0000 0.0000 34159.1329 -148997.4611 298.3202 -183156.5940 -148903.7162 299.2143 -124.6809 -91.0581 558727.3714 -6.9121 -7.0186 PRESSURE: 3945400 -160.551 113.225 40.4112 113.225 -49.6992 84.1554 40.4114 84.1553 129.906 GPRESSURE: 3945400 -158.474 167.709 -35.8616 59.048 32.3279 38.4524 21.0026 40.652 139.323 PRESSAVG: 3945400 -35.994 -37.7159 -12.4794 -37.7158 -16.2164 50.3063 -12.4793 50.3063 69.3498 GPRESSAVG: 3945400 -35.0859 -37.2282 -9.1924 -39.0768 -15.5153 47.776 -13.2185 51.953 67.894 TIMING: 3945400 CPU: 11427.3, 0.00286815/step Wall: 11427.3, 0.00286815/step, 0.840208 hours remaining, 211.066406 MB of memory in use. ENERGY: 3945400 761.8326 2086.2712 1947.8414 110.1027 -206092.7811 17828.3597 0.0000 0.0000 34261.1438 -149097.2298 299.2111 -183358.3736 -148994.9504 299.7222 -26.7813 4.3925 557984.7194 5.7131 5.7642 PRESSURE: 3945600 -166.111 116.519 100.323 116.52 -102.734 -152.318 100.322 -152.318 200.878 GPRESSURE: 3945600 -127.22 70.5487 105.334 86.8223 -139.212 -227.051 126.983 -108.078 295.159 PRESSAVG: 3945600 -19.1698 -48.2199 23.1635 -48.2198 -73.6951 63.6594 23.1636 63.6592 81.8228 GPRESSAVG: 3945600 -20.4996 -47.4062 20.953 -48.6557 -72.0679 64.1513 23.4412 63.1615 81.6154 TIMING: 3945600 CPU: 11427.9, 0.00285534/step Wall: 11427.9, 0.00285534/step, 0.836297 hours remaining, 211.066406 MB of memory in use. ENERGY: 3945600 736.1040 2060.1932 1973.1877 107.4761 -206225.6270 17718.9693 0.0000 0.0000 34630.6735 -148999.0232 302.4383 -183629.6967 -148894.4413 299.9717 -22.6558 9.5758 556784.5635 -3.6807 -3.6507 PRESSURE: 3945800 -56.6778 -45.9783 -99.2875 -45.9785 -25.5375 44.1375 -99.2877 44.1352 66.613 GPRESSURE: 3945800 12.029 -24.1065 -112.724 -111.621 66.1525 70.7433 -23.0069 54.6312 1.86445 PRESSAVG: 3945800 30.1033 -2.85119 -0.414804 -2.85126 25.7005 53.9298 -0.414732 53.9298 4.63473 GPRESSAVG: 3945800 28.8346 -3.94703 0.333636 -1.94314 25.2244 56.7146 -0.887501 51.3426 5.49651 TIMING: 3945800 CPU: 11428.5, 0.00286834/step Wall: 11428.5, 0.00286834/step, 0.839946 hours remaining, 211.066406 MB of memory in use. ENERGY: 3945800 750.5629 2078.4025 1944.3064 113.5584 -206143.2005 17761.4624 0.0000 0.0000 34407.1035 -149087.8044 300.4858 -183494.9078 -148999.9368 300.2297 -5.2008 26.6820 558061.4953 20.1462 19.8518 PRESSURE: 3946000 105.446 -85.6549 121.106 -85.6553 -27.6705 133.444 121.106 133.443 66.9791 GPRESSURE: 3946000 106.12 -54.294 116.675 -79.9678 54.411 148.287 10.9182 225.042 65.4766 PRESSAVG: 3946000 29.6133 3.75181 23.2822 3.75183 -17.279 88.8459 23.2823 88.8459 9.21693 GPRESSAVG: 3946000 29.5743 2.41377 20.8791 6.37678 -16.5286 87.6951 23.4316 90.6882 8.30914 TIMING: 3946000 CPU: 11429.1, 0.00285533/step Wall: 11429.1, 0.00285533/step, 0.835976 hours remaining, 211.066406 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: 3946000 709.8464 2089.8383 1972.4141 119.4647 -206145.0895 17905.2332 0.0000 0.0000 34241.9834 -149106.3093 299.0438 -183348.2927 -149017.3270 300.3253 48.2515 75.3360 557308.2307 7.1837 7.1183 PRESSURE: 3946200 -126.896 -13.7942 -0.780803 -13.7953 -141.394 97.1181 -0.780132 97.118 -117.954 GPRESSURE: 3946200 -94.3115 -53.5344 -22.1049 -101.531 -151.711 94.3255 29.1071 84.3065 -34.001 PRESSAVG: 3946200 -43.1916 -7.4078 35.1248 -7.40793 -0.534047 8.46792 35.1249 8.46796 -36.8273 GPRESSAVG: 3946200 -42.1396 -5.44546 38.4011 -11.3215 -2.1899 7.39083 36.6531 7.31283 -35.4757 TIMING: 3946200 CPU: 11429.6, 0.00287017/step Wall: 11429.6, 0.00287017/step, 0.840162 hours remaining, 211.066406 MB of memory in use. ENERGY: 3946200 731.3951 2103.0332 1927.6512 109.3076 -206018.7501 17579.6934 0.0000 0.0000 34207.6535 -149360.0163 298.7439 -183567.6698 -149268.7893 299.4770 -128.7477 -93.3412 556537.1727 -26.8510 -26.6017 PRESSURE: 3946400 43.4248 3.87238 -101.994 3.87253 -164.655 40.7713 -101.994 40.7732 -36.0402 GPRESSURE: 3946400 78.89 -33.0138 -78.1935 -58.4465 -134.219 109.73 -56.4522 47.1956 -7.16336 PRESSAVG: 3946400 1.85791 19.7486 21.1188 19.7485 -48.4755 26.1211 21.1187 26.1212 61.9677 GPRESSAVG: 3946400 1.31251 17.9978 22.3815 22.4367 -47.352 26.0945 20.4308 29.1811 61.5609 TIMING: 3946400 CPU: 11430.2, 0.00285579/step Wall: 11430.2, 0.00285579/step, 0.835795 hours remaining, 211.066406 MB of memory in use. ENERGY: 3946400 742.0783 2082.4465 1940.0578 105.3395 -205904.3842 17689.7479 0.0000 0.0000 34155.2124 -149189.5018 298.2860 -183344.7142 -149083.4934 299.3995 -52.4236 -20.8309 557756.9523 5.1167 5.1738 PRESSURE: 3946600 -75.647 36.1888 -91.3504 36.1876 -226.546 12.4988 -91.3501 12.4979 -399.122 GPRESSURE: 3946600 -76.5921 76.5418 -117.42 -23.487 -176.385 -39.4093 -59.8373 106.474 -356.949 PRESSAVG: 3946600 -48.8353 -10.4089 -20.8001 -10.4089 96.4594 45.1922 -20.8001 45.1921 -26.8419 GPRESSAVG: 3946600 -49.3178 -11.6331 -21.6771 -11.5509 96.3711 45.6237 -20.5893 44.5767 -26.3709 TIMING: 3946600 CPU: 11430.8, 0.00285892/step Wall: 11430.8, 0.00285892/step, 0.836551 hours remaining, 211.066406 MB of memory in use. ENERGY: 3946600 763.4455 2166.8632 1945.4687 102.8170 -205651.3316 17481.6734 0.0000 0.0000 34101.9827 -149089.0812 297.8211 -183191.0639 -148987.6619 299.1485 -233.7717 -203.3084 558734.1662 6.9274 6.8941 PRESSURE: 3946800 -297.84 30.5857 -184.213 30.5857 258.842 174.464 -184.213 174.465 -15.4401 GPRESSURE: 3946800 -262.147 135.749 -237.229 1.33633 198.424 213.547 -159.516 196.661 107.617 PRESSAVG: 3946800 -80.5804 22.9586 2.25676 22.9586 13.9554 30.5913 2.2569 30.5913 86.8249 GPRESSAVG: 3946800 -79.2079 24.314 1.98843 24.0302 12.784 31.1374 1.71139 28.9348 86.6207 TIMING: 3946800 CPU: 11431.4, 0.00288543/step Wall: 11431.4, 0.00288543/step, 0.844149 hours remaining, 211.066406 MB of memory in use. ENERGY: 3946800 767.9009 2115.8203 1928.1773 119.0586 -206230.2755 17951.9123 0.0000 0.0000 34302.2491 -149045.1570 299.5701 -183347.4061 -148946.6690 299.7658 -18.1458 14.6317 558259.9212 6.7333 6.7322 PRESSURE: 3947000 -128.58 -58.538 30.9758 -58.5378 -173.903 -36.2307 30.975 -36.23 10.3082 GPRESSURE: 3947000 -131.088 -75.952 63.6664 -91.6702 -142.898 5.66909 14.7428 -16.6817 73.7181 PRESSAVG: 3947000 -35.3411 2.62864 -10.0576 2.62857 2.15428 -27.7143 -10.0577 -27.7143 31.1263 GPRESSAVG: 3947000 -35.5342 2.08341 -9.44737 2.25637 2.97312 -28.1815 -9.52856 -28.9903 30.1809 TIMING: 3947000 CPU: 11431.9, 0.0028878/step Wall: 11431.9, 0.0028878/step, 0.844681 hours remaining, 211.066406 MB of memory in use. ENERGY: 3947000 768.8986 2101.5636 1935.8074 103.6708 -206008.5770 17805.5751 0.0000 0.0000 34159.7878 -149133.2737 298.3259 -183293.0615 -149041.2287 299.4018 -97.3916 -66.7560 558439.8563 -0.6868 -0.7934 PRESSURE: 3947200 -242.293 -90.217 -43.2442 -90.2193 232.91 -17.143 -43.2457 -17.1427 144.643 GPRESSURE: 3947200 -188.702 -49.8023 -63.222 -118.825 215.772 27.0914 52.2038 -25.6463 200.174 PRESSAVG: 3947200 -40.2737 2.11971 60.9735 2.11963 37.6375 39.1374 60.9734 39.1373 23.7466 GPRESSAVG: 3947200 -40.3118 2.63817 61.3943 0.615632 37.1819 39.7575 58.9238 39.6444 24.0797 TIMING: 3947200 CPU: 11432.5, 0.00289447/step Wall: 11432.5, 0.00289447/step, 0.846472 hours remaining, 211.066406 MB of memory in use. ENERGY: 3947200 722.6835 2059.1676 1953.0404 111.8144 -206295.7892 17889.3493 0.0000 0.0000 34420.3015 -149139.4326 300.6011 -183559.7341 -149033.4520 299.3785 45.0865 75.7481 556955.4380 7.0368 6.9833 PRESSURE: 3947400 -85.6678 -78.8023 -137.327 -78.8025 -8.53356 111.708 -137.328 111.709 -25.9571 GPRESSURE: 3947400 -95.7349 -49.976 -92.8198 -124.695 9.03616 141.82 -187.997 85.293 60.4585 PRESSAVG: 3947400 -76.2822 32.5536 21.6447 32.5537 7.53153 -3.10736 21.6447 -3.10724 47.1423 GPRESSAVG: 3947400 -76.3857 33.8565 20.9747 32.0472 7.68341 -3.08823 21.5629 -3.17813 47.5089 TIMING: 3947400 CPU: 11433.1, 0.00288307/step Wall: 11433.1, 0.00288307/step, 0.842979 hours remaining, 211.066406 MB of memory in use. ENERGY: 3947400 768.8526 2050.7766 1944.6801 117.6828 -206342.6534 17839.6209 0.0000 0.0000 34439.0138 -149182.0266 300.7645 -183621.0404 -149081.5660 299.7261 -40.0528 -8.7468 556138.3238 -7.2028 -7.0644 PRESSURE: 3947600 -291.051 -59.3694 45.5802 -59.3697 -28.1225 51.667 45.5801 51.6676 -353.595 GPRESSURE: 3947600 -272.856 -60.3612 82.5814 -85.0097 20.8669 -2.1761 78.8954 89.178 -323.523 PRESSAVG: 3947600 66.279 -22.2657 -18.9311 -22.2658 -2.65224 11.1174 -18.9312 11.1174 -73.0505 GPRESSAVG: 3947600 66.3916 -22.655 -21.9025 -22.2989 -1.90968 10.6365 -16.0308 13.6969 -73.7658 TIMING: 3947600 CPU: 11433.7, 0.00287733/step Wall: 11433.7, 0.00287733/step, 0.841139 hours remaining, 211.066406 MB of memory in use. ENERGY: 3947600 781.4593 2093.6273 1933.3004 110.3715 -205795.2441 17521.8815 0.0000 0.0000 34209.0815 -149145.5225 298.7564 -183354.6040 -149049.8149 300.0389 -224.2560 -191.8374 558353.6293 -3.1412 -3.0946 PRESSURE: 3947800 -91.6321 -18.9162 -8.8545 -18.9169 23.6678 -212.948 -8.85466 -212.948 -6.33688 GPRESSURE: 3947800 -38.6495 70.225 48.3152 -5.01513 4.51302 -212.462 -23.4756 -182.025 57.48 PRESSAVG: 3947800 17.2303 -19.268 51.3151 -19.268 79.6918 26.5655 51.315 26.5655 -24.5591 GPRESSAVG: 3947800 17.1193 -18.1908 52.8696 -18.7815 77.8011 28.8165 50.0583 24.5506 -23.1179 TIMING: 3947800 CPU: 11434.2, 0.00288571/step Wall: 11434.2, 0.00288571/step, 0.843429 hours remaining, 211.066406 MB of memory in use. ENERGY: 3947800 748.0240 2048.5064 1947.9768 110.1828 -206089.8056 17816.5075 0.0000 0.0000 34275.7542 -149142.8539 299.3387 -183418.6081 -149050.0944 300.0485 -24.7671 7.7812 558854.0327 24.1210 23.9341 PRESSURE: 3948000 349.136 -71.3029 120.373 -71.3028 -84.9417 -45.2969 120.374 -45.2987 151.545 GPRESSURE: 3948000 372.227 -9.35933 98.5146 -46.5752 -38.0775 -28.6056 111.171 52.6006 163.594 PRESSAVG: 3948000 25.266 3.93325 34.4725 3.93329 -27.2797 6.37228 34.4725 6.37216 -45.5818 GPRESSAVG: 3948000 25.2876 4.01815 33.4583 3.77598 -26.0729 4.93843 36.1132 6.10726 -47.4206 TIMING: 3948000 CPU: 11434.8, 0.00288525/step Wall: 11434.8, 0.00288525/step, 0.843133 hours remaining, 211.066406 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: 3948000 765.0779 2082.1888 1964.7798 118.0037 -206588.7093 18110.5698 0.0000 0.0000 34232.3658 -149315.7235 298.9598 -183548.0893 -149220.8959 298.8856 138.5797 165.9145 557904.8257 -15.8652 -16.0687 PRESSURE: 3948200 -292.426 -87.4987 84.5708 -87.4984 -280.932 233.878 84.5704 233.879 1.68078 GPRESSURE: 3948200 -256.579 -46.2879 120.555 -54.872 -223.344 228.454 54.6779 227.916 6.14848 PRESSAVG: 3948200 14.8984 -43.6049 11.3323 -43.6049 26.2987 80.9929 11.3323 80.9929 -48.3793 GPRESSAVG: 3948200 15.0235 -44.351 12.5143 -42.6583 25.0019 81.3827 10.7295 80.7084 -47.2403 TIMING: 3948200 CPU: 11435.4, 0.00285121/step Wall: 11435.4, 0.00285121/step, 0.833029 hours remaining, 211.066406 MB of memory in use. ENERGY: 3948200 775.3921 2109.7066 1932.1750 107.6189 -205947.7078 17747.1680 0.0000 0.0000 34118.1599 -149157.4874 297.9624 -183275.6473 -149057.4905 299.1797 -190.5593 -157.9247 558871.9069 -2.3941 -2.4050 LDB: ============= START OF LOAD BALANCING ============== 11438.8 LDB: ============== END OF LOAD BALANCING =============== 11438.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11438.8 LDB: ============= START OF LOAD BALANCING ============== 11439.1 LDB: Largest compute 4792 load 0.025246 is 21.4% of average load 0.117998 LDB: Average compute 0.001723 is 1.5% of average load 0.117998 LDB: TIME 11439.1 LOAD: AVG 0.117998 MAX 0.179261 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 11439.1 LOAD: AVG 0.117998 MAX 0.179261 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 11439.1 LOAD: AVG 0.117998 MAX 0.179261 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11439.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11439.1 PRESSURE: 3948400 140.373 -230.797 176.292 -230.797 -41.9207 274.357 176.292 274.356 -54.7798 GPRESSURE: 3948400 194.087 -268.16 206.631 -250.768 -13.9845 324.889 189.906 159.472 -26.7503 PRESSAVG: 3948400 -46.9032 -31.7065 4.22898 -31.7065 30.513 25.9799 4.22891 25.98 62.8894 GPRESSAVG: 3948400 -48.4151 -33.0321 3.54292 -31.8761 32.357 24.8003 5.41494 26.5085 62.8551 TIMING: 3948400 CPU: 11436, 0.00290646/step Wall: 11436, 0.00290646/step, 0.849009 hours remaining, 209.640625 MB of memory in use. ENERGY: 3948400 778.6267 2108.4325 1952.3372 114.5154 -206341.6207 17897.1486 0.0000 0.0000 34408.1719 -149082.3885 300.4951 -183490.5604 -148983.8063 299.6595 14.5574 51.1173 556828.4638 15.4997 15.5990 PRESSURE: 3948600 52.9988 46.3157 52.0228 46.3159 144.337 -84.4944 52.0244 -84.4955 170.81 GPRESSURE: 3948600 85.8935 62.9634 72.9287 22.7876 169.944 -59.4481 30.0954 -91.0983 209.945 PRESSAVG: 3948600 49.2946 -51.5854 34.5814 -51.5854 -5.16513 29.3383 34.5815 29.3384 -62.8168 GPRESSAVG: 3948600 50.0011 -52.12 36.161 -48.6259 -6.30577 31.0541 31.9249 26.6979 -62.8916 TIMING: 3948600 CPU: 11436.5, 0.00287633/step Wall: 11436.5, 0.00287633/step, 0.840048 hours remaining, 209.839844 MB of memory in use. ENERGY: 3948600 790.4868 2123.7567 1935.8600 121.2317 -206609.2235 18065.1624 0.0000 0.0000 34469.1521 -149103.5737 301.0277 -183572.7259 -149008.6794 300.6120 122.7151 155.2606 555716.3865 -6.2291 -6.3988 PRESSURE: 3948800 -132.298 -272.482 239.321 -272.481 71.7036 -117.119 239.322 -117.118 6.79064 GPRESSURE: 3948800 -158.276 -209.439 253.578 -262.674 168.852 -43.8424 220.158 -107.717 28.7862 PRESSAVG: 3948800 11.1978 -98.986 6.60053 -98.9859 30.0893 -26.8095 6.60058 -26.8094 -47.3257 GPRESSAVG: 3948800 10.2462 -97.2945 3.64655 -101.93 31.0459 -27.6055 7.53848 -25.2041 -47.1368 TIMING: 3948800 CPU: 11437.1, 0.0028624/step Wall: 11437.1, 0.0028624/step, 0.835821 hours remaining, 209.839844 MB of memory in use. ENERGY: 3948800 731.6472 2097.0647 1948.2923 124.4481 -205956.4747 17701.9126 0.0000 0.0000 34258.7086 -149094.4011 299.1898 -183353.1098 -149001.1907 299.4350 -17.9346 13.1206 556848.1880 -2.0129 -1.9482 PRESSURE: 3949000 -182.094 -153.143 95.8932 -153.143 35.6159 -17.502 95.8925 -17.5021 -88.12 GPRESSURE: 3949000 -160.339 -92.3633 23.1962 -203.989 71.8748 4.70287 111.074 -57.4416 -45.623 PRESSAVG: 3949000 -2.01181 -38.3377 85.0859 -38.3377 31.2071 1.04656 85.086 1.04662 -6.98844 GPRESSAVG: 3949000 -0.588505 -37.3122 87.0677 -39.702 29.8312 0.947702 84.9563 0.775638 -6.58168 TIMING: 3949000 CPU: 11437.7, 0.00287511/step Wall: 11437.7, 0.00287511/step, 0.839374 hours remaining, 209.839844 MB of memory in use. ENERGY: 3949000 714.4077 2059.0538 1944.3106 117.6547 -206033.8037 17763.2502 0.0000 0.0000 34311.0197 -149124.1070 299.6467 -183435.1267 -149025.6162 299.1708 -78.1993 -44.6956 558122.3308 7.4023 7.5537 PRESSURE: 3949200 106.476 -32.7546 -41.5799 -32.7554 86.3792 -108.344 -41.5812 -108.345 186.689 GPRESSURE: 3949200 144.931 -7.82474 -64.9647 -25.7067 126.546 -68.3995 23.003 -106.861 221.562 PRESSAVG: 3949200 73.6448 -38.0182 32.0122 -38.0181 -47.312 34.855 32.0121 34.855 -40.9633 GPRESSAVG: 3949200 73.3581 -38.2924 33.6516 -33.457 -46.762 35.5168 30.0469 34.0552 -41.1264 TIMING: 3949200 CPU: 11438.3, 0.00289133/step Wall: 11438.3, 0.00289133/step, 0.843947 hours remaining, 209.839844 MB of memory in use. ENERGY: 3949200 723.5697 2087.2949 1929.4647 106.9633 -206367.7609 17932.6954 0.0000 0.0000 34303.3347 -149284.4382 299.5796 -183587.7728 -149183.6370 298.5259 126.5148 164.3465 557137.8569 -4.8768 -4.8434 PRESSURE: 3949400 -108.055 -203.922 -19.3217 -203.923 -30.7844 -44.4697 -19.3213 -44.4705 -111.929 GPRESSURE: 3949400 -88.5151 -194.844 31.0679 -155.712 39.0616 -12.5529 19.5159 -24.5382 -104.77 PRESSAVG: 3949400 18.4401 -10.6784 3.6928 -10.6784 38.2108 13.7077 3.69281 13.7078 -20.8378 GPRESSAVG: 3949400 19.3186 -11.5837 0.909841 -13.0394 37.1053 14.118 6.97125 15.6577 -20.9885 TIMING: 3949400 CPU: 11438.8, 0.00289772/step Wall: 11438.8, 0.00289772/step, 0.845652 hours remaining, 209.839844 MB of memory in use. ENERGY: 3949400 789.3901 2109.3682 1958.9182 104.3147 -206077.1326 17694.3310 0.0000 0.0000 34303.3062 -149117.5042 299.5793 -183420.8104 -149021.5216 299.0095 -83.5894 -51.4077 557417.9798 11.9377 11.8118 PRESSURE: 3949600 157.318 119.76 63.622 119.76 34.1469 -89.2861 63.6219 -89.2865 19.7952 GPRESSURE: 3949600 164.044 148.023 82.0873 15.7151 100.058 -52.1252 22.2626 -94.721 43.5305 PRESSAVG: 3949600 42.8935 -12.1047 49.4996 -12.1046 -17.0302 7.02139 49.4996 7.02126 2.99714 GPRESSAVG: 3949600 41.3429 -10.4294 50.1434 -14.1418 -14.0704 6.6499 46.2803 6.62938 1.95381 TIMING: 3949600 CPU: 11439.4, 0.00287087/step Wall: 11439.4, 0.00287087/step, 0.837655 hours remaining, 209.839844 MB of memory in use. ENERGY: 3949600 784.3457 2082.9322 1940.2592 126.0786 -206113.4265 17972.4844 0.0000 0.0000 34071.2837 -149136.0427 297.5530 -183207.3264 -149045.0893 299.0952 70.4201 102.5439 556859.1024 9.6202 9.7421 PRESSURE: 3949800 -97.6436 72.9576 -209.972 72.9567 -287.36 28.4147 -209.972 28.4154 -290.062 GPRESSURE: 3949800 -81.4105 18.7809 -194.827 74.8409 -280.382 42.0305 -103.88 -98.4951 -205.575 PRESSAVG: 3949800 -73.4559 31.3377 -42.8929 31.3378 -20.6356 -8.12157 -42.893 -8.12161 23.1281 GPRESSAVG: 3949800 -72.6423 31.0711 -42.2117 32.9859 -23.5616 -8.76236 -40.1235 -7.10442 24.6886 TIMING: 3949800 CPU: 11440, 0.00289226/step Wall: 11440, 0.00289226/step, 0.843735 hours remaining, 209.839844 MB of memory in use. ENERGY: 3949800 705.7039 2082.5189 1944.4777 130.5250 -205631.2622 17441.9778 0.0000 0.0000 34179.2000 -149146.8590 298.4955 -183326.0589 -149055.4041 298.9669 -225.0221 -189.1224 558831.8325 -23.6545 -23.8384 PRESSURE: 3950000 -151.53 -61.1545 -139.397 -61.1556 34.0326 -12.0182 -139.397 -12.0195 106.707 GPRESSURE: 3950000 -54.67 -38.9391 -112.492 -36.8798 54.8184 23.4835 -145.054 109.352 74.2131 PRESSAVG: 3950000 -90.908 85.3959 23.2986 85.396 1.62894 -36.1226 23.2986 -36.1226 11.4038 GPRESSAVG: 3950000 -91.371 85.9369 23.0529 85.5636 2.25387 -36.0488 22.7435 -35.4629 10.4413 TIMING: 3950000 CPU: 11440.6, 0.00287928/step Wall: 11440.6, 0.00287928/step, 0.839789 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3950000 746.1029 2119.2212 1964.0031 105.4885 -206147.5234 17779.4619 0.0000 0.0000 34324.5322 -149108.7135 299.7647 -183433.2458 -149012.7855 298.8890 -3.5966 24.7872 557828.1932 -25.9584 -26.2253 PRESSURE: 3950200 42.4414 67.4598 -70.2928 67.4586 -140.542 39.9959 -70.293 39.9951 21.3553 GPRESSURE: 3950200 47.3212 102.737 -134.074 64.1034 -66.5871 54.1789 -70.5857 2.53405 49.9723 PRESSAVG: 3950200 -25.9561 3.6045 -8.12196 3.6044 29.4889 -26.1763 -8.12211 -26.1764 0.198437 GPRESSAVG: 3950200 -25.1537 2.68064 -7.36466 2.84392 30.3636 -27.4878 -9.26162 -25.7944 -1.4363 TIMING: 3950200 CPU: 11441.1, 0.00287274/step Wall: 11441.1, 0.00287274/step, 0.837722 hours remaining, 209.839844 MB of memory in use. ENERGY: 3950200 771.5751 2088.2075 1932.8009 107.8393 -205876.5717 17733.1307 0.0000 0.0000 34205.7161 -149037.3022 298.7270 -183243.0183 -148938.6194 299.4748 -25.5818 10.2355 558604.6304 1.2437 1.2579 PRESSURE: 3950400 -42.812 68.6684 -53.8184 68.6692 -220.945 -62.0179 -53.8189 -62.0186 123.35 GPRESSURE: 3950400 25.2937 28.7641 -103.168 105.313 -194.365 -99.261 -49.4777 -98.881 114.048 PRESSAVG: 3950400 -20.4568 46.8231 -20.8384 46.823 -58.902 -50.9566 -20.8384 -50.9566 42.4358 GPRESSAVG: 3950400 -21.085 46.7431 -21.7529 46.2442 -59.9331 -50.4386 -19.5633 -53.1303 43.7662 TIMING: 3950400 CPU: 11441.7, 0.00286747/step Wall: 11441.7, 0.00286747/step, 0.836028 hours remaining, 209.839844 MB of memory in use. ENERGY: 3950400 748.7372 2113.5177 1961.6331 121.9490 -206209.7506 17811.2652 0.0000 0.0000 34492.8070 -148959.8413 301.2343 -183452.6483 -148861.7497 299.5093 -46.8024 -18.3409 557076.5682 -12.3077 -12.4173 PRESSURE: 3950600 -200.273 53.9227 59.7617 53.9224 -39.0602 107.455 59.7599 107.457 67.7012 GPRESSURE: 3950600 -127.944 126.314 27.4768 -27.9104 11.4926 125.926 26.7648 106.593 46.2871 PRESSAVG: 3950600 21.5221 -4.0212 -40.0728 -4.02135 -27.8568 -4.16041 -40.0727 -4.16045 25.0085 GPRESSAVG: 3950600 22.4775 -3.42459 -40.6826 -3.01948 -28.863 -2.69098 -41.3323 -4.24825 25.3068 TIMING: 3950600 CPU: 11442.3, 0.00286243/step Wall: 11442.3, 0.00286243/step, 0.834398 hours remaining, 209.839844 MB of memory in use. ENERGY: 3950600 735.5838 2020.0364 1958.5326 116.8525 -205648.3301 17614.7269 0.0000 0.0000 34217.7380 -148984.8599 298.8320 -183202.5979 -148885.7729 299.8132 -57.2107 -23.3881 557058.8741 6.2246 6.3071 PRESSURE: 3950800 14.8789 -63.0956 5.31809 -63.0944 -88.3253 -78.0495 5.31855 -78.05 -139.298 GPRESSURE: 3950800 6.80524 -93.2834 27.1208 4.41336 -43.9665 -54.1119 34.6849 -95.1871 -88.9433 PRESSAVG: 3950800 57.258 11.176 4.17995 11.176 -37.5887 -9.05911 4.18004 -9.05925 9.39285 GPRESSAVG: 3950800 56.5251 8.64056 4.65364 10.7774 -37.2409 -9.32507 4.62094 -8.71422 9.27639 TIMING: 3950800 CPU: 11442.9, 0.00286739/step Wall: 11442.9, 0.00286739/step, 0.835684 hours remaining, 209.839844 MB of memory in use. ENERGY: 3950800 772.9678 2040.9896 1950.0527 112.3811 -205679.1830 17586.3206 0.0000 0.0000 34116.0441 -149100.4271 297.9439 -183216.4712 -149003.0090 300.1988 -70.9148 -42.0349 557806.6382 9.6874 9.5202 PRESSURE: 3951000 -169.903 -20.6455 -46.9377 -20.6465 -9.84982 84.219 -46.9384 84.2183 212.585 GPRESSURE: 3951000 -115.154 -20.474 -99.1572 5.98114 2.91612 139.465 40.5853 104.098 242.46 PRESSAVG: 3951000 11.058 -19.1629 -4.12199 -19.163 -43.451 2.76129 -4.12195 2.76121 -6.4479 GPRESSAVG: 3951000 11.8195 -16.8544 -3.68413 -17.7226 -44.1686 1.44618 -4.02299 2.35448 -6.66086 TIMING: 3951000 CPU: 11443.4, 0.00286618/step Wall: 11443.4, 0.00286618/step, 0.835173 hours remaining, 209.839844 MB of memory in use. ENERGY: 3951000 706.9633 2063.4621 1933.6374 118.5459 -206011.7798 17714.4891 0.0000 0.0000 34230.6032 -149244.0788 298.9444 -183474.6820 -149138.3497 298.6746 10.9443 43.4073 557225.5962 -12.9470 -13.0033 PRESSURE: 3951200 215.088 89.5837 28.0906 89.5843 144.424 -57.9654 28.0897 -57.9668 90.924 GPRESSURE: 3951200 199.703 136.596 -71.6845 5.5927 210.333 -36.6065 -9.50708 -24.251 138.547 PRESSAVG: 3951200 33.0175 -54.1663 -15.0736 -54.1663 -60.2336 45.542 -15.0737 45.5419 45.3052 GPRESSAVG: 3951200 32.615 -55.6245 -16.3621 -53.5815 -59.1243 46.8145 -15.9042 45.3509 44.7203 TIMING: 3951200 CPU: 11444, 0.00288591/step Wall: 11444, 0.00288592/step, 0.840763 hours remaining, 209.839844 MB of memory in use. ENERGY: 3951200 712.7443 2040.8168 1968.0386 116.4789 -206102.0652 17768.4900 0.0000 0.0000 34111.8145 -149383.6821 297.9070 -183495.4966 -149283.8964 299.2778 150.1453 182.8610 557376.9219 6.0297 6.0704 PRESSURE: 3951400 234.32 -39.7634 54.1932 -39.7632 -188.311 59.5724 54.1943 59.5713 181.776 GPRESSURE: 3951400 263.847 -75.3731 147.867 -55.1791 -211.657 121.136 -49.3313 127.103 257.501 PRESSAVG: 3951400 42.2724 -45.0381 15.257 -45.0381 -57.2388 -24.7371 15.2569 -24.7372 7.54332 GPRESSAVG: 3951400 42.3318 -47.6215 14.4294 -43.2824 -57.8013 -25.364 15.1887 -24.8886 8.39983 TIMING: 3951400 CPU: 11444.6, 0.0028819/step Wall: 11444.6, 0.0028819/step, 0.839435 hours remaining, 209.839844 MB of memory in use. ENERGY: 3951400 766.4831 2059.6414 1938.2763 105.4413 -206603.0212 17891.8905 0.0000 0.0000 34317.5870 -149523.7017 299.7040 -183841.2887 -149426.0154 298.4922 75.9285 103.2303 555915.0443 -2.4744 -2.3566 PRESSURE: 3951600 10.3969 -13.126 44.0696 -13.1268 -120.452 -113.422 44.07 -113.422 66.2771 GPRESSURE: 3951600 42.8005 38.8309 102.685 2.27056 -101.259 0.591096 55.282 -201.583 100.841 PRESSAVG: 3951600 80.7289 -11.3153 53.8116 -11.3153 -33.623 39.5375 53.8116 39.5375 -28.653 GPRESSAVG: 3951600 80.8377 -9.06609 55.6505 -14.5355 -33.1628 39.1896 54.0881 40.9456 -29.5929 TIMING: 3951600 CPU: 11445.2, 0.00286547/step Wall: 11445.2, 0.00286547/step, 0.834489 hours remaining, 209.839844 MB of memory in use. ENERGY: 3951600 769.7173 2104.3815 1931.9007 120.9011 -206246.2902 17807.1576 0.0000 0.0000 34058.2521 -149453.9798 297.4392 -183512.2320 -149353.0394 298.5900 -14.5927 14.1274 557746.2716 6.1510 6.0273 PRESSURE: 3951800 -77.1598 93.2028 24.5468 93.2035 36.6175 -42.1227 24.5471 -42.1233 -408.09 GPRESSURE: 3951800 -114.234 186.123 58.3869 166.911 74.8797 -11.961 -17.425 -60.9591 -322.621 PRESSAVG: 3951800 44.1566 55.0959 26.3192 55.0958 23.228 54.7024 26.3192 54.7023 1.92812 GPRESSAVG: 3951800 44.0886 56.9706 24.336 54.7728 21.6076 54.0921 27.2498 56.6792 3.50102 TIMING: 3951800 CPU: 11445.7, 0.0028774/step Wall: 11445.7, 0.0028774/step, 0.837802 hours remaining, 209.839844 MB of memory in use. ENERGY: 3951800 770.0666 2131.1808 1947.0165 114.1976 -206115.9708 17618.4681 0.0000 0.0000 34086.0092 -149449.0321 297.6816 -183535.0413 -149359.5538 297.9896 -149.5441 -120.6583 557380.3155 23.1042 23.0657 PRESSURE: 3952000 52.8324 -5.01806 119.987 -5.01787 227.228 41.5281 119.988 41.529 107.15 GPRESSURE: 3952000 83.8107 -28.4672 67.2814 3.18947 225.898 42.6337 110.854 37.2197 168.099 PRESSAVG: 3952000 15.4507 29.6455 84.9759 29.6455 8.73319 56.4994 84.9759 56.4995 -24.6342 GPRESSAVG: 3952000 15.4029 30.728 85.9401 29.9753 9.20067 57.3121 82.3756 56.2976 -24.518 TIMING: 3952000 CPU: 11446.3, 0.00288087/step Wall: 11446.3, 0.00288087/step, 0.838654 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3952000 730.7550 2092.8218 1944.6130 107.3292 -206405.4840 17906.7024 0.0000 0.0000 34077.0112 -149546.2514 297.6030 -183623.2627 -149453.3868 298.3609 129.0700 159.2693 555703.6108 -0.1501 0.0285 PRESSURE: 3952200 -190.958 -133.804 17.5962 -133.806 -91.2401 -15.4332 17.595 -15.4326 91.8492 GPRESSURE: 3952200 -91.4111 -142.733 109.923 -81.739 -124.756 -10.9916 12.2056 -37.7514 124.633 PRESSAVG: 3952200 -108.631 -46.1015 79.2636 -46.1016 55.4571 19.7208 79.2635 19.7209 22.8504 GPRESSAVG: 3952200 -108.08 -48.7161 80.5428 -45.1479 54.327 20.5046 79.5045 18.9021 23.0945 TIMING: 3952200 CPU: 11446.9, 0.00288486/step Wall: 11446.9, 0.00288486/step, 0.839656 hours remaining, 209.839844 MB of memory in use. ENERGY: 3952200 764.4959 2102.6657 1954.3752 111.8717 -206101.7476 17755.6317 0.0000 0.0000 34117.7213 -149294.9862 297.9585 -183412.7075 -149199.0910 298.9811 -63.4495 -30.5115 557550.3476 -10.1080 -10.2196 LDB: ============= START OF LOAD BALANCING ============== 11450.3 LDB: ============== END OF LOAD BALANCING =============== 11450.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11450.3 LDB: ============= START OF LOAD BALANCING ============== 11450.6 LDB: Largest compute 4772 load 0.024163 is 20.5% of average load 0.118043 LDB: Average compute 0.001725 is 1.5% of average load 0.118043 LDB: TIME 11450.6 LOAD: AVG 0.118043 MAX 0.180004 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 11450.6 LOAD: AVG 0.118043 MAX 0.180004 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 11450.6 LOAD: AVG 0.118043 MAX 0.180004 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11450.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11450.6 PRESSURE: 3952400 -223.876 43.209 4.6445 43.2076 -208.115 73.2852 4.64408 73.2843 -332.653 GPRESSURE: 3952400 -207.888 12.9543 -78.7537 52.8543 -162.356 61.8137 26.5706 69.226 -285.017 PRESSAVG: 3952400 23.1683 -24.696 48.2556 -24.6961 -54.3631 -10.4406 48.2556 -10.4406 31.9729 GPRESSAVG: 3952400 23.7393 -24.626 44.8715 -25.4207 -53.9718 -11.483 49.9878 -7.90864 31.2855 TIMING: 3952400 CPU: 11447.5, 0.00293507/step Wall: 11447.5, 0.00293507/step, 0.854104 hours remaining, 211.121094 MB of memory in use. ENERGY: 3952400 741.8433 2094.9801 1962.9623 107.3036 -205700.9370 17303.7266 0.0000 0.0000 34168.2310 -149321.8900 298.3997 -183490.1210 -149228.3921 298.7186 -254.8816 -218.4203 557741.5580 0.2594 0.3510 PRESSURE: 3952600 36.8301 -50.3063 -94.7408 -50.3071 94.8203 154.713 -94.7407 154.713 0.800491 GPRESSURE: 3952600 -10.6249 -119.581 -40.5617 -38.6325 204.919 157.289 -180.55 153.672 36.1515 PRESSAVG: 3952600 12.5676 -42.9756 -40.7147 -42.9755 -17.0026 32.5377 -40.7146 32.5376 -3.20156 GPRESSAVG: 3952600 10.5375 -42.3019 -37.1975 -42.4797 -16.5485 33.0211 -41.789 29.105 -2.28451 TIMING: 3952600 CPU: 11448.1, 0.00288554/step Wall: 11448.1, 0.00288554/step, 0.839532 hours remaining, 211.449219 MB of memory in use. ENERGY: 3952600 750.1924 2084.7043 1923.1666 109.0335 -206426.4602 17858.8801 0.0000 0.0000 34375.0186 -149325.4647 300.2056 -183700.4832 -149226.3580 299.0793 44.1503 76.8152 555671.3833 -2.5455 -2.7652 PRESSURE: 3952800 -57.5968 74.406 -110.041 74.4058 -113.985 105.551 -110.042 105.549 34.7119 GPRESSURE: 3952800 -68.2352 32.074 -76.6906 109.121 -29.5642 184.48 -71.9493 33.3694 59.8722 PRESSAVG: 3952800 47.5573 11.9908 6.64383 11.9909 39.123 -0.365083 6.6439 -0.36508 -65.6618 GPRESSAVG: 3952800 48.5557 12.9846 5.04882 11.5613 39.3643 -0.741659 6.19559 1.51612 -66.1609 TIMING: 3952800 CPU: 11448.6, 0.00288658/step Wall: 11448.6, 0.00288658/step, 0.839674 hours remaining, 211.449219 MB of memory in use. ENERGY: 3952800 721.8158 2099.4644 1941.2080 113.2864 -206177.1995 17525.5189 0.0000 0.0000 34436.9326 -149338.9735 300.7463 -183775.9061 -149240.7974 299.6263 -45.6233 -12.6424 555588.5440 7.0062 7.2530 PRESSURE: 3953000 220.473 -61.4452 -110.672 -61.4454 -154.315 183.701 -110.673 183.702 182.99 GPRESSURE: 3953000 256.285 19.9014 -198.6 -115.115 -155.075 190.612 -55.2169 188.105 249.536 PRESSAVG: 3953000 16.5889 -13.5905 -41.1865 -13.5906 -85.0837 35.7674 -41.1865 35.7674 48.2838 GPRESSAVG: 3953000 17.6145 -15.2889 -39.6574 -14.1515 -86.7242 37.6037 -41.29 35.6069 48.3835 TIMING: 3953000 CPU: 11449.2, 0.00289101/step Wall: 11449.2, 0.00289101/step, 0.840803 hours remaining, 211.449219 MB of memory in use. ENERGY: 3953000 736.4953 2035.4891 1945.9644 118.7972 -206552.4530 18016.4893 0.0000 0.0000 34303.6734 -149395.5443 299.5825 -183699.2177 -149297.5793 298.7776 83.0492 116.9150 556861.9247 -6.7370 -6.9087 PRESSURE: 3953200 -41.7277 39.1626 46.9287 39.1619 -86.4544 -0.179899 46.9282 -0.178911 -403.071 GPRESSURE: 3953200 -48.4011 46.1955 73.9088 16.5201 -1.04746 5.92266 15.2519 64.125 -379.65 PRESSAVG: 3953200 75.8967 16.395 33.9676 16.395 -68.7925 -3.62588 33.9677 -3.62589 -13.6827 GPRESSAVG: 3953200 74.3016 17.7001 33.4392 16.6667 -66.3502 -5.60764 35.0093 -1.28923 -14.211 TIMING: 3953200 CPU: 11449.8, 0.00288118/step Wall: 11449.8, 0.00288118/step, 0.837784 hours remaining, 211.449219 MB of memory in use. ENERGY: 3953200 760.7146 2078.5172 1924.2586 100.4773 -206013.6224 17701.6166 0.0000 0.0000 34126.5211 -149321.5169 298.0354 -183448.0381 -149228.5860 299.0604 -177.0843 -143.0330 557389.6583 -2.1928 -2.0865 PRESSURE: 3953400 -73.6424 101.988 -155.249 101.986 -249.345 47.465 -155.248 47.4663 -53.8665 GPRESSURE: 3953400 -18.9904 88.4418 -116.013 -8.99519 -246.119 52.7712 -127.04 9.96618 -21.7168 PRESSAVG: 3953400 41.8933 11.0273 2.74705 11.0273 -11.7698 -17.0803 2.74707 -17.0802 -40.1707 GPRESSAVG: 3953400 42.7676 11.7621 2.49249 9.14983 -12.6286 -16.3949 3.67638 -19.8496 -40.2786 TIMING: 3953400 CPU: 11450.4, 0.00287088/step Wall: 11450.4, 0.00287088/step, 0.834628 hours remaining, 211.449219 MB of memory in use. ENERGY: 3953400 779.0767 2083.8339 1932.5640 125.8886 -206439.9771 17924.4958 0.0000 0.0000 34262.5513 -149331.5667 299.2234 -183594.1180 -149234.4903 298.8782 -125.6180 -95.6088 558503.7074 -3.3491 -3.3799 PRESSURE: 3953600 -174.934 26.7869 -63.9044 26.7866 -349.18 4.65992 -63.9046 4.6601 -39.9712 GPRESSURE: 3953600 -195.107 125.111 -57.5619 -75.1558 -305.573 -30.0916 -77.9133 -18.5225 33.7735 PRESSAVG: 3953600 61.621 64.4709 -41.8628 64.4708 -18.0197 9.53371 -41.8629 9.53369 -14.0405 GPRESSAVG: 3953600 60.4228 63.6892 -39.9669 66.58 -17.4067 8.30393 -42.7926 11.2723 -13.563 TIMING: 3953600 CPU: 11450.9, 0.00288096/step Wall: 11450.9, 0.00288096/step, 0.837399 hours remaining, 211.449219 MB of memory in use. ENERGY: 3953600 794.7668 2096.0645 1971.9509 125.3982 -205929.4162 17510.2117 0.0000 0.0000 34270.3463 -149160.6777 299.2915 -183431.0240 -149068.1891 299.3772 -188.0284 -155.6354 558637.2719 9.8536 9.8177 PRESSURE: 3953800 94.5291 129.389 -37.2161 129.389 150.834 -107.316 -37.2149 -107.315 51.8471 GPRESSURE: 3953800 98.9836 104.008 -89.4851 130.494 185.804 -82.732 -27.5852 -92.5289 111.364 PRESSAVG: 3953800 7.88569 1.28316 -7.55454 1.28313 -5.81244 22.8015 -7.55456 22.8016 17.4789 GPRESSAVG: 3953800 8.93788 0.798983 -7.98591 1.57714 -6.06626 22.5201 -8.44784 22.9053 16.9491 TIMING: 3953800 CPU: 11451.5, 0.00290436/step Wall: 11451.5, 0.00290436/step, 0.844039 hours remaining, 211.449219 MB of memory in use. ENERGY: 3953800 766.0202 2088.4687 1944.5976 115.5410 -206354.3459 18139.9879 0.0000 0.0000 34201.6612 -149098.0693 298.6916 -183299.7305 -149007.5836 299.1978 99.0702 132.0508 556962.2368 6.5174 6.6069 PRESSURE: 3954000 155.333 100.919 68.1868 100.919 -108.604 94.2033 68.1866 94.2031 -252.173 GPRESSURE: 3954000 138.217 121.293 77.8155 95.259 -80.7041 57.6528 -29.7729 127.498 -175.891 PRESSAVG: 3954000 4.88273 55.9891 -21.0343 55.9891 58.1593 8.45767 -21.0343 8.45769 -51.6944 GPRESSAVG: 3954000 5.75595 56.3724 -23.4785 56.0164 56.9055 9.06191 -17.9361 7.4264 -51.5407 TIMING: 3954000 CPU: 11452.1, 0.00287332/step Wall: 11452.1, 0.00287332/step, 0.834859 hours remaining, 211.449219 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: 3954000 761.1401 2100.1820 1911.8315 113.1404 -206204.3029 17761.5990 0.0000 0.0000 34293.7843 -149262.6257 299.4961 -183556.4099 -149165.0099 299.6071 -68.4811 -39.4594 557971.1520 3.7825 3.7069 PRESSURE: 3954200 -85.1401 -92.8037 75.8628 -92.8039 173.073 -40.1467 75.8621 -40.1476 81.3629 GPRESSURE: 3954200 -11.3645 -64.0224 125.163 -209.096 194.178 2.38832 35.054 -59.8883 76.2853 PRESSAVG: 3954200 -37.4854 39.4815 38.4492 39.4815 14.0217 -41.5602 38.4492 -41.5602 13.0372 GPRESSAVG: 3954200 -39.1154 38.5605 42.2562 38.5796 16.2556 -39.4131 34.7708 -41.3246 12.0199 TIMING: 3954200 CPU: 11452.7, 0.00288781/step Wall: 11452.7, 0.00288781/step, 0.838908 hours remaining, 211.449219 MB of memory in use. ENERGY: 3954200 746.6567 2123.3347 1930.6779 110.2154 -206527.9123 17900.2091 0.0000 0.0000 34370.2912 -149346.5274 300.1643 -183716.8186 -149241.3611 299.3613 56.4321 86.3662 557134.2677 -3.4755 -3.6133 PRESSURE: 3954400 -140.944 -150.041 -22.7363 -150.04 -107.667 92.2412 -22.7365 92.2426 38.9918 GPRESSURE: 3954400 -94.6708 -190.42 -38.0927 -63.7519 -104.245 92.9454 -43.7506 59.1661 86.5428 PRESSAVG: 3954400 60.3047 -30.7601 -38 -30.7601 46.3394 -3.22862 -38 -3.22862 -33.8093 GPRESSAVG: 3954400 61.5503 -28.6671 -40.1538 -30.4743 45.1173 -4.44346 -37.1346 -2.22377 -33.5712 TIMING: 3954400 CPU: 11453.3, 0.00289404/step Wall: 11453.3, 0.00289404/step, 0.840558 hours remaining, 211.449219 MB of memory in use. ENERGY: 3954400 784.6249 2075.3515 1912.2554 108.5040 -206146.9631 17847.9624 0.0000 0.0000 34155.3705 -149262.8942 298.2873 -183418.2648 -149164.8715 299.4574 -69.8732 -37.4575 559176.7897 24.2783 24.3655 PRESSURE: 3954600 -255.575 -91.1231 -37.5502 -91.1232 -430.926 -57.7287 -37.5515 -57.7273 -258.873 GPRESSURE: 3954600 -195.588 -39.7768 45.0196 -76.7484 -359.599 -62.1156 44.4963 -20.8582 -275.393 PRESSAVG: 3954600 -0.910902 -101.406 13.4466 -101.406 -33.8051 67.918 13.4466 67.9181 42.283 GPRESSAVG: 3954600 -2.11345 -103.051 14.288 -101.477 -34.1705 69.5098 14.6818 65.3473 43.734 TIMING: 3954600 CPU: 11453.8, 0.00288745/step Wall: 11453.8, 0.00288745/step, 0.838484 hours remaining, 211.449219 MB of memory in use. ENERGY: 3954600 762.0047 2125.8371 1949.0683 111.3888 -206260.3082 17598.6732 0.0000 0.0000 34315.8545 -149397.4817 299.6889 -183713.3362 -149301.1541 299.4742 -315.1245 -276.8603 557367.3070 2.5223 2.4834 PRESSURE: 3954800 -94.2322 112.544 112.643 112.545 -104.867 91.1901 112.641 91.1903 -74.0573 GPRESSURE: 3954800 -122.463 89.0254 152.881 158.628 -101.294 94.7952 97.0912 15.2657 53.2126 PRESSAVG: 3954800 -42.7085 -1.34749 -21.2782 -1.3474 -72.3977 41.6005 -21.2783 41.6005 68.4198 GPRESSAVG: 3954800 -42.3399 -1.76912 -21.4025 -1.70544 -71.7846 40.538 -22.38 43.0824 67.8108 TIMING: 3954800 CPU: 11454.4, 0.0028719/step Wall: 11454.4, 0.0028719/step, 0.833807 hours remaining, 211.449219 MB of memory in use. ENERGY: 3954800 734.6911 2068.8807 1968.3785 117.4066 -206756.3579 17882.9304 0.0000 0.0000 34570.6538 -149413.4168 301.9141 -183984.0706 -149316.0213 298.9268 -91.0522 -56.8479 558730.4385 -15.5621 -15.4379 PRESSURE: 3955000 -308.721 128.986 -122.394 128.986 -207.931 -96.8363 -122.395 -96.8373 -42.4175 GPRESSURE: 3955000 -192.2 85.9125 -198.626 143.838 -217.623 -88.4977 1.54278 -109.845 -45.272 PRESSAVG: 3955000 38.8753 33.5203 -27.8361 33.5203 -35.6909 42.4681 -27.8361 42.4681 8.5371 GPRESSAVG: 3955000 39.9901 32.1647 -28.7507 33.4659 -35.6365 41.1462 -28.1415 42.6459 8.08341 TIMING: 3955000 CPU: 11455, 0.00286192/step Wall: 11455, 0.00286192/step, 0.830753 hours remaining, 211.449219 MB of memory in use. ENERGY: 3955000 719.1277 2099.1003 1930.6443 113.1107 -206166.1134 17622.8814 0.0000 0.0000 34310.1142 -149371.1347 299.6388 -183681.2489 -149275.1251 299.5735 -186.3564 -151.6984 558970.1626 3.9072 4.1457 PRESSURE: 3955200 -152.588 -109.717 37.471 -109.718 -108.078 199.117 37.4713 199.118 -36.5013 GPRESSURE: 3955200 -14.8364 -72.2749 -1.73761 -89.1469 -130.062 126.932 59.1343 234.745 -50.5741 PRESSAVG: 3955200 55.3643 25.2484 -23.5213 25.2484 -31.7978 -3.51018 -23.5214 -3.51017 -5.32814 GPRESSAVG: 3955200 55.0902 28.4784 -23.3117 26.0791 -31.6605 -4.49121 -22.3582 -3.17246 -5.66971 TIMING: 3955200 CPU: 11455.6, 0.00286098/step Wall: 11455.6, 0.00286098/step, 0.830319 hours remaining, 211.449219 MB of memory in use. ENERGY: 3955200 760.5820 2075.4790 1919.0536 107.7457 -206451.5374 17902.8830 0.0000 0.0000 34119.9866 -149565.8074 297.9783 -183685.7941 -149470.7777 298.4677 -99.0560 -65.1574 558134.3016 6.0794 5.9200 PRESSURE: 3955400 -408.782 -59.5252 -231.737 -59.5245 -309.264 161.511 -231.737 161.508 -165.268 GPRESSURE: 3955400 -395.01 -128.84 -275.035 5.18763 -264.795 104.899 -125.825 178.069 -129.9 PRESSAVG: 3955400 61.081 -5.45584 5.38292 -5.45585 -77.6242 -17.3515 5.38289 -17.3514 8.5992 GPRESSAVG: 3955400 60.8509 -7.2793 4.40116 -5.3781 -77.8368 -18.211 6.13132 -16.1315 9.7344 TIMING: 3955400 CPU: 11456.1, 0.00288098/step Wall: 11456.1, 0.00288098/step, 0.835965 hours remaining, 211.449219 MB of memory in use. ENERGY: 3955400 752.7539 2061.4869 1907.9882 101.4670 -205996.6012 17505.8190 0.0000 0.0000 34117.4323 -149549.6539 297.9560 -183667.0862 -149448.7743 297.9787 -294.4381 -263.2351 559567.9640 -2.6480 -2.4172 PRESSURE: 3955600 -65.3346 -10.9058 153.964 -10.9051 -99.1511 4.56603 153.964 4.56629 154.365 GPRESSURE: 3955600 -26.8787 -7.70375 172.91 11.3264 -20.0363 26.4395 94.5719 -47.1756 138.851 PRESSAVG: 3955600 -33.9196 -15.9279 15.4231 -15.928 -86.8546 7.95879 15.4231 7.95874 93.1434 GPRESSAVG: 3955600 -32.4703 -14.8266 16.7789 -17.2996 -87.4433 8.69291 14.4704 7.35914 92.6521 TIMING: 3955600 CPU: 11456.7, 0.00288457/step Wall: 11456.7, 0.00288457/step, 0.836845 hours remaining, 211.449219 MB of memory in use. ENERGY: 3955600 734.4399 2056.1847 1923.2282 112.1938 -206311.6607 17834.1088 0.0000 0.0000 33972.2008 -149679.3046 296.6877 -183651.5054 -149572.3290 297.3505 -3.3735 30.6454 556709.7264 -9.2103 -9.0872 PRESSURE: 3955800 -104.135 32.3686 -32.0278 32.3693 -213.181 -32.8751 -32.0266 -32.8768 25.2423 GPRESSURE: 3955800 -7.51171 88.5472 -108.008 26.183 -179.772 -9.87537 -81.204 1.62204 -3.00333 PRESSAVG: 3955800 -36.2586 -7.57117 23.804 -7.57117 -78.4419 3.06929 23.8041 3.06931 80.1771 GPRESSAVG: 3955800 -36.6647 -7.72076 24.4861 -7.02194 -77.5107 4.79421 22.5197 2.86623 79.7132 TIMING: 3955800 CPU: 11457.3, 0.00287305/step Wall: 11457.3, 0.00287305/step, 0.833344 hours remaining, 211.449219 MB of memory in use. ENERGY: 3955800 736.7973 2080.1823 1926.6440 104.9201 -206211.4021 17686.9462 0.0000 0.0000 33958.5661 -149717.3460 296.5686 -183675.9121 -149630.5787 297.3940 -97.3578 -63.4292 558020.0838 -11.5078 -11.4874 PRESSURE: 3956000 -256.694 176.843 -7.47043 176.843 -446.332 -95.1096 -7.46952 -95.1096 -384.214 GPRESSURE: 3956000 -258.335 124 51.8539 20.2903 -389.015 -149.305 -42.3913 -170.192 -331.956 PRESSAVG: 3956000 2.64019 -11.226 -68.1591 -11.226 26.0383 -34.0427 -68.1591 -34.0425 -35.893 GPRESSAVG: 3956000 2.09272 -11.0113 -67.4403 -13.2506 27.024 -35.6519 -64.972 -34.2459 -36.0118 TIMING: 3956000 CPU: 11457.9, 0.0028844/step Wall: 11457.9, 0.0028844/step, 0.836475 hours remaining, 211.449219 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: 3956000 730.9167 2129.2633 1944.5800 109.0901 -205898.2622 17263.3424 0.0000 0.0000 34264.2252 -149456.8445 299.2380 -183721.0697 -149358.9426 298.3379 -362.4132 -326.4353 558955.7685 -2.4048 -2.2983 PRESSURE: 3956200 227.637 -12.0912 -102.343 -12.0912 -69.4834 -121.604 -102.343 -121.605 -94.6952 GPRESSURE: 3956200 270.431 4.57915 -13.3615 -39.581 -52.0287 -170.759 -193.064 -109.259 -58.5088 PRESSAVG: 3956200 -3.08312 32.395 -14.1029 32.3952 57.2892 -30.0476 -14.1028 -30.0477 -40.6734 GPRESSAVG: 3956200 -3.43122 30.8444 -16.7194 35.7302 56.6815 -30.2987 -15.5488 -30.2452 -39.9255 TIMING: 3956200 CPU: 11458.4, 0.00289081/step Wall: 11458.4, 0.00289081/step, 0.838174 hours remaining, 211.449219 MB of memory in use. ENERGY: 3956200 755.3505 2101.7129 1949.6414 94.5978 -206274.6783 17870.1845 0.0000 0.0000 34198.1001 -149305.0910 298.6605 -183503.1911 -149207.3538 297.9910 21.1529 53.2979 556595.9374 4.5109 4.4416 LDB: ============= START OF LOAD BALANCING ============== 11461.8 LDB: ============== END OF LOAD BALANCING =============== 11461.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11461.8 LDB: ============= START OF LOAD BALANCING ============== 11462.1 LDB: Largest compute 4792 load 0.024555 is 20.8% of average load 0.118015 LDB: Average compute 0.001723 is 1.5% of average load 0.118015 LDB: TIME 11462.1 LOAD: AVG 0.118015 MAX 0.179567 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.824 MB LDB: TIME 11462.1 LOAD: AVG 0.118015 MAX 0.179567 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: TIME 11462.1 LOAD: AVG 0.118015 MAX 0.179567 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: ============== END OF LOAD BALANCING =============== 11462.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11462.1 PRESSURE: 3956400 -153.013 215.336 25.7616 215.336 -213.552 -48.1856 25.7618 -48.1857 60.5406 GPRESSURE: 3956400 -126.183 313.748 9.58406 127.95 -163.667 20.7673 146.907 -88.4863 78.7306 PRESSAVG: 3956400 41.9001 -5.38081 -32.0407 -5.38088 -51.8749 -8.98242 -32.0407 -8.9824 20.9759 GPRESSAVG: 3956400 41.4031 -4.07842 -30.6726 -8.37565 -52.0195 -8.9763 -32.0237 -9.24173 21.241 TIMING: 3956400 CPU: 11459, 0.00293823/step Wall: 11459, 0.00293823/step, 0.851761 hours remaining, 210.851562 MB of memory in use. ENERGY: 3956400 768.4978 2107.8381 1938.6309 116.2493 -206169.2314 17784.2518 0.0000 0.0000 34306.9930 -149146.7704 299.6115 -183453.7635 -149053.8743 299.1647 -102.0082 -70.3730 556602.3366 3.6671 3.5415 PRESSURE: 3956600 -19.9096 74.8906 77.146 74.8901 -75.5359 103.531 77.1456 103.532 -127.082 GPRESSURE: 3956600 42.9647 72.6276 130.007 115.048 -56.729 135.223 38.1854 105.78 -115.435 PRESSAVG: 3956600 -24.043 -20.5484 35.8018 -20.5483 -19.1252 -1.96427 35.8018 -1.96431 31.204 GPRESSAVG: 3956600 -22.0059 -20.2926 35.8685 -19.0959 -20.3615 -1.30876 35.6204 -1.93064 30.6116 TIMING: 3956600 CPU: 11459.6, 0.00286423/step Wall: 11459.6, 0.00286423/step, 0.83015 hours remaining, 210.851562 MB of memory in use. ENERGY: 3956600 786.1624 2028.1435 1962.3167 111.8325 -205919.7512 17564.1574 0.0000 0.0000 34254.6450 -149212.4938 299.1543 -183467.1388 -149117.6246 299.0092 -74.1757 -43.0666 557812.1808 -3.9880 -3.9186 PRESSURE: 3956800 43.5074 23.0157 -20.1062 23.0163 -322.336 -39.4452 -20.1067 -39.4459 1.0268 GPRESSURE: 3956800 98.625 -6.15162 -76.6198 97.2302 -318.094 -34.2288 -45.1483 -153.855 42.6296 PRESSAVG: 3956800 72.1206 3.99699 30.5349 3.99701 -27.2194 14.2928 30.5349 14.2928 -48.1593 GPRESSAVG: 3956800 71.5281 3.83918 29.8883 4.73246 -26.939 14.1318 30.6069 13.91 -47.229 TIMING: 3956800 CPU: 11460.2, 0.00287718/step Wall: 11460.2, 0.00287718/step, 0.833744 hours remaining, 210.851562 MB of memory in use. ENERGY: 3956800 812.6936 2024.7526 1936.4343 109.5774 -205901.7544 17707.6132 0.0000 0.0000 34149.0282 -149161.6551 298.2320 -183310.6833 -149068.9397 297.9866 -92.6008 -58.9466 558665.9660 -1.0860 -0.8799 PRESSURE: 3957000 -216.171 -96.8396 -70.0566 -96.8396 4.22726 198.571 -70.0563 198.57 -134.436 GPRESSURE: 3957000 -213.24 -58.9438 -65.7898 -74.636 58.5992 207.861 -48.0204 154.716 -102.717 PRESSAVG: 3957000 52.7243 42.6535 3.06366 42.6535 -9.0535 17.4178 3.06371 17.4178 -7.64231 GPRESSAVG: 3957000 53.2106 44.0326 3.93418 41.2591 -9.6779 19.0275 4.93999 16.5973 -7.78239 TIMING: 3957000 CPU: 11460.7, 0.00288547/step Wall: 11460.7, 0.00288547/step, 0.835985 hours remaining, 210.851562 MB of memory in use. ENERGY: 3957000 750.5704 2060.7070 1987.5804 114.7213 -205847.6026 17629.3034 0.0000 0.0000 34166.2301 -149138.4901 298.3822 -183304.7202 -149034.0041 298.8070 -115.4597 -85.7861 557996.0959 12.0095 11.9168 PRESSURE: 3957200 -392.573 -254.046 -147.708 -254.047 -186.28 53.25 -147.708 53.2479 78.881 GPRESSURE: 3957200 -377.282 -288.664 -115.731 -181.687 -156.197 65.4874 -120.404 30.0756 111.522 PRESSAVG: 3957200 44.0113 16.941 -18.794 16.941 -8.46477 33.0173 -18.7941 33.0175 -8.4609 GPRESSAVG: 3957200 43.4278 15.3946 -19.874 18.3021 -6.93922 32.1016 -18.1765 33.3719 -8.95321 TIMING: 3957200 CPU: 11461.3, 0.00290154/step Wall: 11461.3, 0.00290154/step, 0.840479 hours remaining, 210.851562 MB of memory in use. ENERGY: 3957200 779.2254 2080.1411 1967.6775 113.5635 -205835.0105 17570.7411 0.0000 0.0000 34173.8767 -149149.7851 298.4490 -183323.6618 -149047.5206 299.0232 -166.6573 -140.6524 558519.1712 9.0286 9.1785 PRESSURE: 3957400 -46.394 119.273 -4.71507 119.274 -92.6821 96.2386 -4.71469 96.2385 -36.9532 GPRESSURE: 3957400 -80.8253 136.601 -60.8727 78.2575 -68.8421 144.986 -82.5779 41.3115 55.7483 PRESSAVG: 3957400 -52.634 49.8667 22.4562 49.8667 -0.841812 -19.1564 22.4563 -19.1563 70.6059 GPRESSAVG: 3957400 -53.072 49.5329 23.8504 51.0051 -0.366865 -17.9756 18.3424 -18.3873 70.1648 TIMING: 3957400 CPU: 11461.9, 0.00288865/step Wall: 11461.9, 0.00288865/step, 0.836584 hours remaining, 210.851562 MB of memory in use. ENERGY: 3957400 768.2614 2117.6610 1940.7946 114.0114 -206010.5427 17668.2254 0.0000 0.0000 34435.4038 -148966.1851 300.7329 -183401.5889 -148878.6852 299.9646 -58.6764 -31.3064 557271.7306 5.7100 5.5753 PRESSURE: 3957600 165.539 1.30633 -8.11321 1.30531 94.4063 113.292 -8.11318 113.292 -33.8583 GPRESSURE: 3957600 230.61 43.5118 -119.82 -9.56097 113.308 83.2486 23.4224 110.683 -10.986 PRESSAVG: 3957600 -17.8824 15.7806 -12.4528 15.7807 0.597949 71.6093 -12.4528 71.6092 36.4987 GPRESSAVG: 3957600 -17.123 18.1076 -14.6577 11.9304 -0.403027 69.9502 -10.6493 70.4399 36.1231 TIMING: 3957600 CPU: 11462.5, 0.00287774/step Wall: 11462.5, 0.00287774/step, 0.833267 hours remaining, 210.851562 MB of memory in use. ENERGY: 3957600 702.4131 2044.2693 1941.9462 116.9496 -205820.6856 17604.0635 0.0000 0.0000 34353.2095 -149057.8344 300.0151 -183411.0439 -148965.1982 300.1278 75.3625 110.9774 556572.2127 6.4048 6.1990 PRESSURE: 3957800 58.7392 -58.2835 92.8314 -58.2844 147.666 -132.232 92.8331 -132.23 318.052 GPRESSURE: 3957800 133.886 -108.496 208.907 45.6917 215.762 -128.143 35.2705 -134.952 269.455 PRESSAVG: 3957800 6.65057 30.625 -8.38502 30.6249 33.4601 -25.0004 -8.38497 -25.0004 -60.5046 GPRESSAVG: 3957800 6.96863 27.2031 -6.36061 33.0824 32.5154 -24.4321 -8.5385 -21.6167 -59.9877 TIMING: 3957800 CPU: 11463.1, 0.00289105/step Wall: 11463.1, 0.00289105/step, 0.83696 hours remaining, 210.851562 MB of memory in use. ENERGY: 3957800 729.8077 2100.3085 1944.6545 105.3723 -205932.1848 17718.7487 0.0000 0.0000 34257.4186 -149075.8745 299.1786 -183333.2931 -148975.1303 299.3795 174.8190 206.3677 556564.0322 -6.7980 -6.8346 PRESSURE: 3958000 -95.2304 -127.602 17.2922 -127.602 -157.652 -42.8063 17.2904 -42.8061 -222.035 GPRESSURE: 3958000 -95.9971 -14.0901 19.5183 -137.743 -115.115 -26.2804 11.6999 -16.6245 -195.373 PRESSAVG: 3958000 41.1624 11.8077 71.5195 11.8078 -8.45527 28.7565 71.5194 28.7565 -56.7612 GPRESSAVG: 3958000 40.1405 13.996 70.7407 11.8517 -7.91091 30.3882 69.7735 24.6647 -56.0535 TIMING: 3958000 CPU: 11463.6, 0.0028861/step Wall: 11463.6, 0.0028861/step, 0.835365 hours remaining, 210.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3958000 763.4160 2106.8213 1939.8054 112.9429 -205822.8345 17440.2786 0.0000 0.0000 34437.6675 -149021.9028 300.7527 -183459.5703 -148931.4413 300.2148 -158.3058 -135.4952 557794.9348 -8.0180 -7.9413 PRESSURE: 3958200 189.111 99.6824 103.142 99.6823 58.2048 -4.51144 103.142 -4.51093 42.0984 GPRESSURE: 3958200 197.351 100.962 137.404 86.3084 132.168 24.6995 28.1232 -86.5163 59.5911 PRESSAVG: 3958200 -34.1937 -9.36109 -15.4277 -9.36126 -4.07844 47.7522 -15.4278 47.7522 29.3489 GPRESSAVG: 3958200 -34.4343 -9.33335 -14.7652 -9.25477 -3.02338 44.6099 -14.8255 50.9973 28.3305 TIMING: 3958200 CPU: 11464.2, 0.00289894/step Wall: 11464.2, 0.00289894/step, 0.838921 hours remaining, 210.851562 MB of memory in use. ENERGY: 3958200 763.4002 2057.1873 1977.1832 103.2096 -206265.3992 17874.5476 0.0000 0.0000 34632.6631 -148857.2081 302.4557 -183489.8712 -148756.2675 300.2815 96.4715 129.7034 555686.6628 -2.9744 -3.0424 PRESSURE: 3958400 -182.66 26.3667 -163.798 26.3665 -231.563 -96.7464 -163.798 -96.7486 -109.364 GPRESSURE: 3958400 -109.764 -6.13437 -142.27 84.9889 -204.29 -37.111 -70.3293 -94.5901 -109.794 PRESSAVG: 3958400 8.84102 13.4125 -0.71226 13.4125 -9.08076 12.6368 -0.712115 12.6367 28.1857 GPRESSAVG: 3958400 9.54017 13.1471 -1.28828 13.5829 -10.9256 16.118 1.04006 10.2291 29.0729 TIMING: 3958400 CPU: 11464.8, 0.00289445/step Wall: 11464.8, 0.00289445/step, 0.837461 hours remaining, 210.851562 MB of memory in use. ENERGY: 3958400 706.1471 2125.4619 1942.5199 106.7312 -205741.3584 17555.3203 0.0000 0.0000 34396.7453 -148908.4327 300.3953 -183305.1780 -148811.5370 299.5345 -174.5289 -141.2825 557756.4210 9.3153 9.2292 PRESSURE: 3958600 -25.6951 -78.2302 1.652 -78.2299 64.7363 -2.60028 1.65243 -2.59966 -47.7712 GPRESSURE: 3958600 26.8553 -86.7954 -67.7462 13.0138 107.584 -44.4383 56.8127 -21.3884 -36.2222 PRESSAVG: 3958600 -30.044 21.0069 -1.35478 21.007 55.5196 11.6791 -1.35473 11.679 1.42669 GPRESSAVG: 3958600 -29.3454 19.4079 -2.13836 20.361 55.6077 11.5901 -0.735972 11.7438 0.89893 TIMING: 3958600 CPU: 11465.4, 0.00288381/step Wall: 11465.4, 0.00288381/step, 0.834223 hours remaining, 210.851562 MB of memory in use. ENERGY: 3958600 747.2646 2119.1865 1932.6970 117.1664 -205681.9212 17497.1643 0.0000 0.0000 34289.8269 -148978.6155 299.4616 -183268.4424 -148880.2012 299.8116 -2.9100 32.7391 557201.1412 8.9674 9.0537 PRESSURE: 3958800 -49.2439 81.4462 5.79375 81.446 116.457 -3.12919 5.79224 -3.12792 -174.452 GPRESSURE: 3958800 -51.8011 27.2855 10.74 97.8063 193.213 -20.6439 -67.7765 77.879 -148.174 PRESSAVG: 3958800 -48.5989 43.3923 -6.34886 43.3922 84.6511 -37.1358 -6.34883 -37.1358 -11.6568 GPRESSAVG: 3958800 -49.9316 43.7016 -6.59695 45.5618 84.9093 -39.8239 -8.20297 -33.6588 -10.5949 TIMING: 3958800 CPU: 11465.9, 0.00288558/step Wall: 11465.9, 0.00288558/step, 0.834573 hours remaining, 210.851562 MB of memory in use. ENERGY: 3958800 745.5790 2103.4055 1958.9615 103.3957 -205896.3769 17749.8012 0.0000 0.0000 34206.6770 -149028.5570 298.7354 -183235.2339 -148932.6816 299.8633 -35.7462 -2.2541 557952.7966 8.1318 8.1276 PRESSURE: 3959000 -149.962 -3.15912 33.3755 -3.15897 29.6532 -11.5457 33.3758 -11.5452 126.69 GPRESSURE: 3959000 -95.1158 -31.4124 -9.32065 62.185 -28.7124 33.0331 22.7019 -64.6333 235.469 PRESSAVG: 3959000 -13.1227 -3.55142 -31.334 -3.55135 -17.1812 -66.494 -31.3341 -66.494 24.8733 GPRESSAVG: 3959000 -13.0299 -1.14713 -30.7061 -5.60981 -17.4126 -64.838 -31.2279 -69.3412 24.262 TIMING: 3959000 CPU: 11466.5, 0.00288244/step Wall: 11466.5, 0.00288244/step, 0.833505 hours remaining, 210.851562 MB of memory in use. ENERGY: 3959000 730.0996 2084.7982 1919.3299 110.5643 -206058.3964 17737.1274 0.0000 0.0000 34323.9876 -149152.4893 299.7599 -183476.4769 -149047.8287 299.4267 2.1271 37.2137 557059.0231 -1.8102 -2.0602 PRESSURE: 3959200 145.296 -19.555 -89.3453 -19.5542 -94.4154 -127.196 -89.3461 -127.197 -78.0757 GPRESSURE: 3959200 103.773 -39.9941 -78.4212 106.055 -47.2113 -134.329 -30.6082 -153.312 18.5842 PRESSAVG: 3959200 -16.0738 -10.5264 -34.2741 -10.5265 -22.213 -10.5227 -34.2742 -10.5228 2.61403 GPRESSAVG: 3959200 -16.6667 -10.0174 -35.3104 -9.83013 -21.8726 -11.3866 -33.1846 -12.1884 2.34301 TIMING: 3959200 CPU: 11467.1, 0.00289085/step Wall: 11467.1, 0.00289085/step, 0.835776 hours remaining, 210.851562 MB of memory in use. ENERGY: 3959200 772.6822 2045.3209 1945.3368 121.8403 -206493.0820 18011.1840 0.0000 0.0000 34401.7252 -149194.9927 300.4388 -183596.7179 -149102.5275 299.5520 -9.0651 25.0487 557433.3896 -11.8909 -12.0654 PRESSURE: 3959400 -310.267 -260.52 -109.964 -260.519 -252.012 -9.43062 -109.965 -9.42916 -172.354 GPRESSURE: 3959400 -237.126 -316.056 -116.934 -182.066 -214.364 -13.7652 -109.996 28.583 -184.253 PRESSAVG: 3959400 -36.5338 5.31714 -9.42206 5.31715 16.1872 14.6184 -9.42208 14.6185 -9.50582 GPRESSAVG: 3959400 -35.8746 3.6851 -8.38281 6.61324 17.462 16.3265 -9.60415 13.7539 -11.3018 TIMING: 3959400 CPU: 11467.7, 0.0029106/step Wall: 11467.7, 0.0029106/step, 0.841326 hours remaining, 210.851562 MB of memory in use. ENERGY: 3959400 768.6668 2063.5432 1953.0161 121.5630 -205944.2886 17482.1381 0.0000 0.0000 34281.1483 -149274.2131 299.3858 -183555.3614 -149171.0338 299.7718 -244.8775 -211.9145 557579.9494 -9.9508 -9.9048 PRESSURE: 3959600 -122.646 147.975 -14.5721 147.976 43.3539 157.413 -14.5731 157.412 -269.54 GPRESSURE: 3959600 -120.654 147.375 -26.1135 203.714 129.066 105.648 14.157 150.859 -274.055 PRESSAVG: 3959600 -9.05548 51.0491 -4.25696 51.0491 64.6353 -13.1429 -4.25697 -13.1431 -44.4402 GPRESSAVG: 3959600 -10.3228 51.5921 -3.8022 50.6645 64.0436 -14.603 -3.48937 -12.0874 -42.922 TIMING: 3959600 CPU: 11468.3, 0.00292293/step Wall: 11468.3, 0.00292293/step, 0.844726 hours remaining, 210.851562 MB of memory in use. ENERGY: 3959600 775.2467 2087.7806 1932.7252 121.5714 -206394.0757 17689.3599 0.0000 0.0000 34528.1284 -149259.2636 301.5427 -183787.3920 -149171.1025 299.4473 -116.2775 -88.5478 557700.2138 3.7132 3.5996 PRESSURE: 3959800 36.8374 35.8408 -71.4118 35.8399 -329.939 48.5389 -71.413 48.537 -109.879 GPRESSURE: 3959800 46.9248 -36.9652 -19.1074 70.3315 -288.18 58.678 -52.9505 74.6937 -54.9728 PRESSAVG: 3959800 -49.8123 60.7016 10.5173 60.7016 47.2582 -26.5281 10.5174 -26.5283 -42.7904 GPRESSAVG: 3959800 -48.0478 60.1403 11.423 60.3513 45.7214 -26.2915 9.1743 -25.7473 -42.4171 TIMING: 3959800 CPU: 11468.8, 0.00288962/step Wall: 11468.8, 0.00288962/step, 0.834941 hours remaining, 210.851562 MB of memory in use. ENERGY: 3959800 751.0446 2060.2756 1922.7446 110.0578 -205921.3553 17568.2609 0.0000 0.0000 34321.8048 -149187.1670 299.7409 -183508.9717 -149080.5484 299.1842 -134.3271 -98.7427 557498.5023 -15.1148 -14.9145 PRESSURE: 3960000 -32.0512 -114.987 -135.613 -114.989 172.67 10.5135 -135.612 10.5136 186.517 GPRESSURE: 3960000 -27.0893 -63.5355 -144.879 -124.101 221.276 -60.3994 -129.077 41.2034 234.325 PRESSAVG: 3960000 21.4719 -20.2967 7.74478 -20.2967 19.172 -8.89864 7.74469 -8.89866 13.1027 GPRESSAVG: 3960000 21.0081 -20.2652 6.90618 -20.4122 20.4608 -10.0136 8.73069 -7.75437 11.6424 TIMING: 3960000 CPU: 11469.4, 0.00288717/step Wall: 11469.4, 0.00288717/step, 0.834071 hours remaining, 210.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3960000 740.2792 2113.6608 1977.0610 116.5183 -206303.9051 17929.0578 0.0000 0.0000 34323.3061 -149104.0218 299.7540 -183427.3279 -149004.2564 299.5479 109.0455 142.8371 557367.1388 17.9155 17.7038 PRESSURE: 3960200 -52.0807 75.9506 171.357 75.9504 45.6193 -123.265 171.356 -123.265 -106.645 GPRESSURE: 3960200 -36.5906 50.5311 168.523 128.712 89.8474 -81.6305 174.346 -177.915 -84.5124 PRESSAVG: 3960200 -8.57656 -18.1356 22.8994 -18.1356 2.86294 5.18267 22.8994 5.18266 -59.654 GPRESSAVG: 3960200 -8.29742 -18.025 23.4651 -17.9661 2.13665 4.70441 21.3282 5.08962 -58.757 TIMING: 3960200 CPU: 11470, 0.00288967/step Wall: 11470, 0.00288967/step, 0.834633 hours remaining, 210.851562 MB of memory in use. ENERGY: 3960200 792.3400 2103.7439 1940.1757 107.7525 -205824.9002 17731.2339 0.0000 0.0000 34007.3659 -149142.2884 296.9948 -183149.6542 -149043.2095 298.6066 -37.7021 -10.4185 558865.1883 -21.7892 -21.6393 LDB: ============= START OF LOAD BALANCING ============== 11473.4 LDB: ============== END OF LOAD BALANCING =============== 11473.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11473.4 LDB: ============= START OF LOAD BALANCING ============== 11473.7 LDB: Largest compute 4772 load 0.025234 is 21.4% of average load 0.117995 LDB: Average compute 0.001728 is 1.5% of average load 0.117995 LDB: TIME 11473.7 LOAD: AVG 0.117995 MAX 0.180807 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.621 MB LDB: TIME 11473.7 LOAD: AVG 0.117995 MAX 0.180807 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.691 MB LDB: TIME 11473.7 LOAD: AVG 0.117995 MAX 0.180807 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11473.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11473.7 PRESSURE: 3960400 -112.477 -15.4735 49.8021 -15.4739 6.48429 -25.0466 49.803 -25.0456 -156.346 GPRESSURE: 3960400 -69.8912 -119.697 72.4702 -54.0175 10.2621 -88.1131 22.0352 -64.4561 -100.363 PRESSAVG: 3960400 34.0306 -9.24522 58.7762 -9.24523 -35.3681 29.721 58.7763 29.721 -24.5935 GPRESSAVG: 3960400 33.5143 -9.20343 57.4832 -9.82464 -34.3043 31.8821 59.6068 27.323 -24.0965 TIMING: 3960400 CPU: 11470.6, 0.00295366/step Wall: 11470.6, 0.00295366/step, 0.85295 hours remaining, 212.710938 MB of memory in use. ENERGY: 3960400 751.2518 2119.5483 1932.4714 120.9791 -206111.8838 17722.0680 0.0000 0.0000 34212.3805 -149253.1846 298.7852 -183465.5650 -149161.0908 299.2966 -87.4462 -53.3308 557923.5491 -8.6437 -8.2955 PRESSURE: 3960600 11.8924 113.375 -173.362 113.376 -122.994 -125.968 -173.362 -125.967 276.346 GPRESSURE: 3960600 36.1754 -35.1061 -233.84 206.427 -68.8976 -133.189 -92.8314 -27.0512 283.885 PRESSAVG: 3960600 -58.7866 -33.0789 77.903 -33.0789 66.421 -5.12171 77.9031 -5.12152 3.47287 GPRESSAVG: 3960600 -58.2608 -33.4926 78.4417 -33.136 66.8925 -4.8843 78.112 -5.20103 2.21437 TIMING: 3960600 CPU: 11471.2, 0.00290003/step Wall: 11471.2, 0.00290003/step, 0.837303 hours remaining, 212.781250 MB of memory in use. ENERGY: 3960600 771.8843 2068.4292 1955.2432 120.8837 -206455.7134 18005.1411 0.0000 0.0000 34251.4629 -149282.6691 299.1265 -183534.1320 -149181.7484 299.1481 55.0813 83.7210 558009.4094 3.7024 3.6154 PRESSURE: 3960800 69.3296 -113.779 167.478 -113.78 -69.0609 -91.1759 167.478 -91.173 150.706 GPRESSURE: 3960800 69.7915 -129.198 280.203 -76.4419 -18.9209 -177.076 26.2473 -24.1229 201.426 PRESSAVG: 3960800 49.3203 -34.4479 -36.845 -34.4479 -35.0656 18.8653 -36.8449 18.8653 12.2553 GPRESSAVG: 3960800 49.1907 -34.6424 -36.6191 -34.5124 -34.7291 17.3704 -34.9913 19.07 12.5767 TIMING: 3960800 CPU: 11471.8, 0.00290341/step Wall: 11471.8, 0.00290341/step, 0.838119 hours remaining, 212.781250 MB of memory in use. ENERGY: 3960800 741.9716 2048.1618 1958.3477 103.0455 -206235.8753 17948.6765 0.0000 0.0000 34262.6701 -149173.0021 299.2244 -183435.6722 -149078.9812 299.0515 50.3250 84.0990 557672.7473 8.8367 9.0128 PRESSURE: 3961000 145.876 109.044 -63.9044 109.044 -109.401 121.365 -63.9048 121.365 -157.094 GPRESSURE: 3961000 161.31 29.4102 -62.846 214.425 -97.5824 102.093 33.9073 48.2011 -70.727 PRESSAVG: 3961000 51.5714 16.0312 -19.462 16.0312 -55.7609 21.9255 -19.462 21.9254 -36.5656 GPRESSAVG: 3961000 51.8242 16.4239 -17.1205 16.2954 -57.54 22.9069 -22.4022 21.4881 -35.4503 TIMING: 3961000 CPU: 11472.3, 0.00289655/step Wall: 11472.3, 0.00289655/step, 0.835976 hours remaining, 212.781250 MB of memory in use. ENERGY: 3961000 747.8489 2132.4511 1944.1755 109.6847 -206164.2325 17806.7053 0.0000 0.0000 34350.4952 -149072.8718 299.9914 -183423.3670 -148986.8959 299.1283 -40.2066 -2.3332 558275.7053 -13.5851 -13.7220 PRESSURE: 3961200 -90.7819 -19.338 57.8103 -19.338 -250.867 50.4474 57.8102 50.4473 -293.593 GPRESSURE: 3961200 -90.5768 28.6635 43.8824 18.6088 -199.564 -58.2491 140.282 75.0751 -236.987 PRESSAVG: 3961200 -15.6397 15.2563 -21.5986 15.2563 -1.61077 75.667 -21.5986 75.6668 43.3178 GPRESSAVG: 3961200 -15.3804 14.3138 -23.4763 15.7233 -1.13751 73.3948 -18.5806 76.1351 42.6443 TIMING: 3961200 CPU: 11472.9, 0.00289149/step Wall: 11472.9, 0.00289149/step, 0.834357 hours remaining, 212.781250 MB of memory in use. ENERGY: 3961200 768.1626 2040.0575 1967.9484 120.3032 -206325.2203 17725.3196 0.0000 0.0000 34499.4194 -149204.0096 301.2920 -183703.4290 -149111.6479 299.8833 -211.7472 -175.7094 559655.5033 8.6891 8.7088 PRESSURE: 3961400 -113.027 -26.5884 -26.6652 -26.59 -284.144 103.667 -26.6651 103.667 -170.693 GPRESSURE: 3961400 -22.1365 -10.0518 0.0840652 -19.5785 -276.261 153.234 -62.8278 116.161 -167.241 PRESSAVG: 3961400 -22.5477 -14.8956 24.1195 -14.8956 21.3192 21.945 24.1195 21.9451 2.76666 GPRESSAVG: 3961400 -22.3904 -13.6687 25.0596 -15.7132 19.7047 22.1192 22.8695 21.7042 4.2876 TIMING: 3961400 CPU: 11473.5, 0.00287987/step Wall: 11473.5, 0.00287987/step, 0.830842 hours remaining, 212.781250 MB of memory in use. ENERGY: 3961400 725.3519 2078.8838 1957.7161 112.6951 -206139.2683 17653.6808 0.0000 0.0000 34312.9256 -149298.0150 299.6633 -183610.9406 -149201.8669 299.7749 -189.2881 -155.2129 557598.2883 0.5127 0.5339 PRESSURE: 3961600 18.0614 75.5808 7.99109 75.5803 -32.925 65.7909 7.99026 65.7911 -231.57 GPRESSURE: 3961600 60.1701 2.40025 -83.9787 175.703 -39.1087 75.9003 -13.7023 113.493 -163.883 PRESSAVG: 3961600 42.4373 6.6973 -36.5946 6.69728 -46.2318 -61.6366 -36.5946 -61.6368 -14.2292 GPRESSAVG: 3961600 41.4565 6.33964 -37.7783 8.06519 -44.7353 -61.1082 -37.7444 -61.009 -14.8959 TIMING: 3961600 CPU: 11474.1, 0.00286776/step Wall: 11474.1, 0.00286776/step, 0.827189 hours remaining, 212.781250 MB of memory in use. ENERGY: 3961600 739.4327 2066.9813 1965.9394 115.2811 -205972.1755 17693.9404 0.0000 0.0000 34099.4014 -149291.1991 297.7986 -183390.6005 -149195.3950 299.2463 -82.1447 -47.6072 558293.5513 -6.0079 -6.0582 PRESSURE: 3961800 -1.53066 78.604 -62.3214 78.6032 58.2624 0.289357 -62.3223 0.286693 -207.621 GPRESSURE: 3961800 -22.5798 28.4856 -41.0608 98.6905 44.622 6.88106 32.2856 -12.7436 -77.8378 PRESSAVG: 3961800 63.418 39.4474 23.0797 39.4473 -4.54386 -14.8517 23.0797 -14.8518 -47.283 GPRESSAVG: 3961800 63.9779 37.2579 23.7061 40.2844 -5.37161 -14.6863 23.0036 -14.0217 -47.0634 TIMING: 3961800 CPU: 11474.6, 0.00286099/step Wall: 11474.6, 0.00286099/step, 0.825077 hours remaining, 212.781250 MB of memory in use. ENERGY: 3961800 757.3845 2074.5011 1954.5158 105.3232 -206334.5637 17879.7881 0.0000 0.0000 34288.4905 -149274.5606 299.4499 -183563.0511 -149178.8880 298.5544 -50.2964 -18.5985 558807.3746 3.8637 3.8476 PRESSURE: 3962000 276.692 52.1957 95.244 52.1954 58.1945 -8.57962 95.2441 -8.58082 3.35111 GPRESSURE: 3962000 261.403 41.3343 72.4566 22.5016 61.033 -98.4667 78.1541 90.409 107.978 PRESSAVG: 3962000 91.5132 24.5433 -0.676992 24.5433 0.893311 63.1169 -0.677042 63.1169 -98.7117 GPRESSAVG: 3962000 90.6361 26.0556 1.00323 22.1089 1.14221 65.0155 -0.219738 61.4274 -98.3863 TIMING: 3962000 CPU: 11475.2, 0.00286747/step Wall: 11475.2, 0.00286747/step, 0.826787 hours remaining, 212.781250 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: 3962000 723.4295 2048.7670 1956.4862 105.6195 -206227.8377 17857.5362 0.0000 0.0000 34230.0497 -149305.9496 298.9395 -183535.9993 -149216.0196 298.7693 112.7460 143.4713 556424.3424 -2.1017 -2.2026 PRESSURE: 3962200 65.5619 5.76947 -91.5097 5.76935 186.311 70.6752 -91.5101 70.6743 227.1 GPRESSURE: 3962200 137.438 -97.7493 -95.4514 104.489 198.089 97.8365 -110.751 8.22566 246.589 PRESSAVG: 3962200 39.7156 81.585 -18.7688 81.585 34.9875 -12.7269 -18.7688 -12.7267 -81.2788 GPRESSAVG: 3962200 40.5256 83.2416 -20.2368 82.0874 35.2212 -14.6799 -17.7153 -12.0226 -82.4918 TIMING: 3962200 CPU: 11475.8, 0.00287753/step Wall: 11475.8, 0.00287753/step, 0.829527 hours remaining, 212.781250 MB of memory in use. ENERGY: 3962200 747.1809 2078.8347 1949.5049 114.8883 -206615.8041 17972.8970 0.0000 0.0000 34568.9685 -149183.5298 301.8994 -183752.4984 -149090.4797 299.4634 159.6575 194.0387 554266.1019 -2.1919 -2.2483 PRESSURE: 3962400 87.9348 -11.2921 -162.299 -11.2922 274.633 59.4424 -162.301 59.4409 286.148 GPRESSURE: 3962400 139.129 69.2186 -196.439 -35.9731 294.123 61.9604 -86.7709 90.9065 320.618 PRESSAVG: 3962400 30.4205 -15.4784 74.2081 -15.4783 18.6423 42.3764 74.2082 42.3765 -78.2261 GPRESSAVG: 3962400 30.0512 -14.7308 74.0828 -17.4285 18.9382 41.7384 73.8291 43.6575 -78.8577 TIMING: 3962400 CPU: 11476.4, 0.00288545/step Wall: 11476.4, 0.00288545/step, 0.831651 hours remaining, 212.781250 MB of memory in use. ENERGY: 3962400 739.9842 2105.4319 1950.7202 109.8099 -206492.0332 18135.3030 0.0000 0.0000 34154.5617 -149296.2221 298.2803 -183450.7838 -149207.6492 298.8116 216.2383 251.2896 555749.3393 -9.7211 -9.9561 PRESSURE: 3962600 -74.8211 119.517 92.3208 119.517 71.4854 60.1031 92.32 60.1034 37.8221 GPRESSURE: 3962600 -49.2722 191.253 81.3204 81.3723 85.6798 104.231 35.3441 27.0562 89.219 PRESSAVG: 3962600 -60.9734 5.32736 -83.2605 5.32731 5.27144 -35.538 -83.2605 -35.5381 65.8853 GPRESSAVG: 3962600 -60.6608 1.4899 -82.369 7.3027 5.80901 -33.7219 -86.2734 -36.6683 65.3279 TIMING: 3962600 CPU: 11476.9, 0.00289113/step Wall: 11476.9, 0.00289113/step, 0.833129 hours remaining, 212.781250 MB of memory in use. ENERGY: 3962600 747.9010 2072.3722 1942.6600 105.0829 -206168.1910 17698.9249 0.0000 0.0000 34352.1715 -149249.0785 300.0061 -183601.2500 -149151.7122 299.6350 11.4955 41.8755 555346.3340 3.3945 3.4920 PRESSURE: 3962800 -106.216 -38.3885 37.8301 -38.3889 -209.385 -28.1123 37.8293 -28.1117 -69.0221 GPRESSURE: 3962800 -56.0076 -31.0433 63.7317 -14.911 -172.546 -65.9293 -59.1749 12.8123 -58.6309 PRESSAVG: 3962800 24.3249 32.2258 -7.5986 32.2258 0.181763 1.50132 -7.59868 1.50148 1.9439 GPRESSAVG: 3962800 23.4935 35.3712 -8.21347 31.839 -0.308413 -0.656323 -5.41604 2.28847 3.67961 TIMING: 3962800 CPU: 11477.5, 0.00290588/step Wall: 11477.5, 0.00290588/step, 0.837215 hours remaining, 212.781250 MB of memory in use. ENERGY: 3962800 745.4197 2041.3192 1983.0419 124.0951 -206008.4562 17503.5100 0.0000 0.0000 34216.2497 -149394.8206 298.8190 -183611.0704 -149307.0386 299.7469 -128.2075 -95.7281 555397.1974 8.8168 8.9549 PRESSURE: 3963000 -40.0961 16.6913 116.7 16.6902 -36.6307 90.1163 116.7 90.1166 -109.02 GPRESSURE: 3963000 45.9085 14.7695 10.1603 45.81 -55.5033 122.884 253.196 132.391 -70.1438 PRESSAVG: 3963000 19.0429 34.6706 11.203 34.6705 -25.9194 47.9721 11.203 47.9722 -9.2093 GPRESSAVG: 3963000 19.2199 35.0351 11.9495 34.8398 -25.7132 50.897 11.2038 46.328 -9.33867 TIMING: 3963000 CPU: 11478.1, 0.002898/step Wall: 11478.1, 0.002898/step, 0.834786 hours remaining, 212.781250 MB of memory in use. ENERGY: 3963000 768.4897 2047.9565 1983.0421 104.6691 -206358.4986 17862.9909 0.0000 0.0000 34066.9763 -149524.3740 297.5154 -183591.3503 -149427.9628 298.3638 -61.9156 -26.5795 556874.3109 -5.3619 -5.2773 PRESSURE: 3963200 255.314 49.0762 -47.9371 49.0768 -225.351 38.0774 -47.9372 38.0784 -90.0229 GPRESSURE: 3963200 299.025 19.5659 -213.98 48.303 -226.325 56.5142 20.2145 -1.67238 -29.9298 PRESSAVG: 3963200 34.814 40.8671 22.119 40.867 -45.9232 9.32973 22.119 9.32962 34.1716 GPRESSAVG: 3963200 35.6836 38.6693 21.3552 41.3398 -44.7521 7.46725 24.9341 8.82577 32.7486 TIMING: 3963200 CPU: 11478.7, 0.00288617/step Wall: 11478.7, 0.00288617/step, 0.831218 hours remaining, 212.781250 MB of memory in use. ENERGY: 3963200 762.1147 2091.3361 1964.2706 114.1976 -206319.9338 17881.5724 0.0000 0.0000 33993.6430 -149512.7994 296.8749 -183506.4424 -149415.4641 297.8352 -20.0199 14.2566 556897.4242 7.6875 7.8934 PRESSURE: 3963400 26.1498 63.3798 19.0482 63.3793 -17.4728 77.2749 19.0498 77.2772 -243.296 GPRESSURE: 3963400 51.9642 54.9118 16.3536 65.9312 13.3603 87.9569 78.1913 107.216 -202.275 PRESSAVG: 3963400 49.6333 19.0036 25.6978 19.0036 -54.0612 -19.1811 25.6979 -19.1811 15.8235 GPRESSAVG: 3963400 48.0458 21.441 28.345 19.1739 -53.99 -19.0424 22.0901 -19.2737 16.5281 TIMING: 3963400 CPU: 11479.3, 0.00288011/step Wall: 11479.3, 0.00288011/step, 0.829311 hours remaining, 212.781250 MB of memory in use. ENERGY: 3963400 707.9324 2055.5264 1950.3030 102.9969 -206071.6077 17548.0672 0.0000 0.0000 34150.3599 -149556.4221 298.2436 -183706.7820 -149460.6858 298.5671 -78.2062 -45.6503 558441.2245 3.7985 3.5280 PRESSURE: 3963600 140.299 112.143 -23.3623 112.142 88.8046 -125.841 -23.361 -125.841 28.9954 GPRESSURE: 3963600 132.957 183.516 -19.5894 29.6093 115.786 19.7738 -57.2105 -129.622 115.096 PRESSAVG: 3963600 52.1675 43.0164 14.1564 43.0164 -9.07009 59.6045 14.1564 59.6046 -22.4749 GPRESSAVG: 3963600 53.9003 39.5731 11.7016 43.3855 -11.8184 58.7527 15.2167 61.137 -21.5412 TIMING: 3963600 CPU: 11479.8, 0.00288749/step Wall: 11479.8, 0.00288749/step, 0.831276 hours remaining, 212.781250 MB of memory in use. ENERGY: 3963600 715.1116 2092.1931 1968.5895 118.6380 -206468.4787 17891.1888 0.0000 0.0000 34289.2808 -149393.4768 299.4568 -183682.7576 -149300.5415 299.0263 86.0329 121.2793 555875.2930 6.8742 6.8469 PRESSURE: 3963800 56.9653 50.6802 91.4459 50.6813 6.12142 -51.2087 91.4475 -51.2092 -2.36834 GPRESSURE: 3963800 2.4192 -31.4419 95.31 140.378 120.437 -62.9597 18.6908 -3.80723 35.3996 PRESSAVG: 3963800 -1.71982 9.55629 35.293 9.55621 -44.0645 22.0895 35.293 22.0896 37.2796 GPRESSAVG: 3963800 -3.40516 10.0563 37.0719 9.71731 -41.3731 21.4773 33.4188 23.7253 36.4718 TIMING: 3963800 CPU: 11480.4, 0.00288215/step Wall: 11480.4, 0.00288215/step, 0.82958 hours remaining, 212.781250 MB of memory in use. ENERGY: 3963800 777.3819 2102.8680 1969.1901 106.3742 -206348.1639 17859.3730 0.0000 0.0000 34383.8205 -149149.1562 300.2825 -183532.9767 -149046.6885 299.7040 20.2395 52.7519 557349.3124 -2.8349 -2.7688 PRESSURE: 3964000 199.105 -146.65 -111.431 -146.649 -122.7 112.27 -111.43 112.271 130.149 GPRESSURE: 3964000 158.449 -136.543 -170.241 -126.633 -47.8725 107.599 -52.3022 139.65 182.745 PRESSAVG: 3964000 65.8362 -9.36546 41.0859 -9.36542 -9.43059 -0.20853 41.0858 -0.208467 -0.203616 GPRESSAVG: 3964000 66.3877 -7.08636 37.1918 -11.7248 -9.30089 -0.249933 42.4947 -0.0983619 -0.819733 TIMING: 3964000 CPU: 11481, 0.00289604/step Wall: 11481, 0.00289604/step, 0.833417 hours remaining, 212.781250 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: 3964000 748.0125 2079.3594 1918.2102 106.7512 -206273.7874 17948.3795 0.0000 0.0000 34288.7872 -149184.2874 299.4525 -183473.0746 -149085.7546 299.7326 68.8513 97.7737 557909.9219 18.7340 18.7557 PRESSURE: 3964200 -8.82945 -81.3607 -61.4257 -81.3611 61.3207 59.5531 -61.4249 59.5538 -87.9714 GPRESSURE: 3964200 49.3222 -95.8324 -15.7547 -126.69 56.8599 20.5173 -53.5786 30.8016 -40.6277 PRESSAVG: 3964200 17.0171 -62.3727 15.8343 -62.3728 -24.246 14.8594 15.8344 14.8594 -26.901 GPRESSAVG: 3964200 16.6692 -63.0869 16.396 -59.9845 -24.6172 15.7622 18.4927 12.4032 -26.4405 TIMING: 3964200 CPU: 11481.6, 0.00288348/step Wall: 11481.6, 0.00288348/step, 0.829641 hours remaining, 212.781250 MB of memory in use. ENERGY: 3964200 772.8717 2098.2426 1970.5548 109.4611 -206243.9123 17963.4542 0.0000 0.0000 34066.7501 -149262.5779 297.5134 -183329.3279 -149175.5784 299.1524 -11.8267 21.8515 557823.0321 -11.3766 -11.4628 LDB: ============= START OF LOAD BALANCING ============== 11484.9 LDB: ============== END OF LOAD BALANCING =============== 11484.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11484.9 LDB: ============= START OF LOAD BALANCING ============== 11485.2 LDB: Largest compute 4772 load 0.025906 is 21.9% of average load 0.118079 LDB: Average compute 0.001723 is 1.5% of average load 0.118079 LDB: TIME 11485.2 LOAD: AVG 0.118079 MAX 0.179286 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.004 MB LDB: TIME 11485.2 LOAD: AVG 0.118079 MAX 0.179286 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.004 MB LDB: TIME 11485.2 LOAD: AVG 0.118079 MAX 0.179286 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.004 MB LDB: ============== END OF LOAD BALANCING =============== 11485.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11485.2 PRESSURE: 3964400 -65.8831 161.27 -22.1899 161.271 -122.289 -102.687 -22.1905 -102.688 161.094 GPRESSURE: 3964400 -18.0581 120.229 -6.05208 199.3 -116.669 -124.982 -4.02473 -7.31044 204.322 PRESSAVG: 3964400 -37.5928 -2.18784 44.3079 -2.18774 -16.5862 -54.2086 44.308 -54.2087 76.4353 GPRESSAVG: 3964400 -37.6651 -2.50319 46.4227 -3.20311 -16.51 -53.7427 43.2769 -54.8416 76.7466 TIMING: 3964400 CPU: 11482.1, 0.00291853/step Wall: 11482.1, 0.00291853/step, 0.839565 hours remaining, 211.039062 MB of memory in use. ENERGY: 3964400 745.3553 2097.0090 1985.9588 130.8089 -206446.5364 17941.0026 0.0000 0.0000 34236.2182 -149310.1835 298.9934 -183546.4017 -149210.7598 299.2033 -9.0260 23.1985 558351.3426 7.4188 7.5238 PRESSURE: 3964600 -33.5631 -52.8749 -0.0656384 -52.8729 123.357 5.61145 -0.0676642 5.61052 84.9029 GPRESSURE: 3964600 -38.7144 -50.5825 73.4001 -39.5545 141.88 -45.5709 -35.1765 39.3695 160.03 PRESSAVG: 3964600 22.5184 -46.0823 13.3025 -46.0823 -67.3489 0.67325 13.3026 0.67338 2.01773 GPRESSAVG: 3964600 23.6491 -46.1688 12.4317 -45.834 -68.3461 -0.77168 11.7572 2.41998 1.68081 TIMING: 3964600 CPU: 11482.7, 0.00286366/step Wall: 11482.7, 0.00286366/step, 0.82362 hours remaining, 211.039062 MB of memory in use. ENERGY: 3964600 762.2625 2105.6669 1950.8793 115.6965 -206108.3244 17926.4134 0.0000 0.0000 34283.0868 -148964.3191 299.4027 -183247.4059 -148867.6125 300.0199 58.2321 87.7317 559172.8763 -14.2709 -14.3387 PRESSURE: 3964800 -113.08 -168.809 76.8192 -168.809 -236.327 24.6424 76.8183 24.6441 59.0508 GPRESSURE: 3964800 -64.2108 -156.326 144.736 -206.989 -151.794 13.492 49.9392 -12.9577 31.23 PRESSAVG: 3964800 7.23568 -21.4807 13.4355 -21.4808 -33.9993 6.16859 13.4355 6.16854 21.3714 GPRESSAVG: 3964800 7.2742 -22.2117 14.5159 -21.5989 -33.5998 6.97467 15.1022 5.56703 20.9914 TIMING: 3964800 CPU: 11483.3, 0.00286797/step Wall: 11483.3, 0.00286797/step, 0.8247 hours remaining, 211.039062 MB of memory in use. ENERGY: 3964800 817.0643 2075.9227 1967.5976 112.6441 -206228.6923 17815.2737 0.0000 0.0000 34367.9968 -149072.1932 300.1443 -183440.1900 -148970.9766 300.1032 -96.7852 -61.5915 558872.1378 -1.7974 -1.7781 PRESSURE: 3965000 -205.58 -42.5823 50.7053 -42.581 -277.546 38.5863 50.7043 38.5862 -113.26 GPRESSURE: 3965000 -127.019 -27.9878 39.8003 -18.8388 -237.419 84.4711 96.3378 -76.1685 -125.681 PRESSAVG: 3965000 -43.154 -21.7558 21.0894 -21.7558 -23.3029 23.0464 21.0894 23.0465 69.8376 GPRESSAVG: 3965000 -43.8563 -20.5052 19.0608 -21.8414 -23.6169 24.3179 22.2946 23.5071 70.628 TIMING: 3965000 CPU: 11483.9, 0.00287443/step Wall: 11483.9, 0.00287443/step, 0.826399 hours remaining, 211.039062 MB of memory in use. ENERGY: 3965000 770.7703 2108.8954 1928.9808 108.4459 -205794.7852 17489.4169 0.0000 0.0000 34244.8162 -149143.4597 299.0685 -183388.2759 -149052.0549 299.6413 -198.7952 -163.3730 559381.1794 1.1269 1.0516 PRESSURE: 3965200 0.767809 94.9973 -256.73 94.9967 -275.465 -10.0752 -256.731 -10.0744 -330.376 GPRESSURE: 3965200 -2.71843 27.7321 -256.497 147.392 -150.43 -20.2962 -199.085 33.9733 -364.318 PRESSAVG: 3965200 55.4656 30.9416 -33.1764 30.9416 -64.1562 14.0539 -33.1765 14.0541 30.4695 GPRESSAVG: 3965200 54.8032 31.0166 -29.1785 29.2134 -63.894 11.8277 -37.2123 14.5549 30.6511 TIMING: 3965200 CPU: 11484.4, 0.00287934/step Wall: 11484.4, 0.00287934/step, 0.827651 hours remaining, 211.039062 MB of memory in use. ENERGY: 3965200 759.9751 2096.0418 1946.4864 124.7344 -205892.6156 17584.6850 0.0000 0.0000 34360.6697 -149020.0233 300.0803 -183380.6930 -148917.8469 299.5277 -201.6911 -172.4890 560087.8416 7.2597 7.1868 PRESSURE: 3965400 355.554 -89.7979 138.438 -89.7969 174.608 45.7882 138.437 45.7892 57.1015 GPRESSURE: 3965400 313.636 -22.8681 148.563 -114.345 269.989 67.7856 38.8603 -57.3525 109.306 PRESSAVG: 3965400 61.5715 -53.8768 1.80177 -53.8767 -1.77233 -21.96 1.80175 -21.96 -38.8676 GPRESSAVG: 3965400 61.4224 -52.7629 -2.04225 -53.9487 -1.1184 -22.0063 4.43199 -20.7918 -39.3024 TIMING: 3965400 CPU: 11485, 0.00287713/step Wall: 11485, 0.00287713/step, 0.826854 hours remaining, 211.039062 MB of memory in use. ENERGY: 3965400 735.8103 2090.3767 1930.9394 131.0283 -206218.4974 18099.2531 0.0000 0.0000 34366.3408 -148864.7488 300.1298 -183231.0895 -148770.1267 300.0188 195.7545 230.9770 557451.1662 6.9772 7.0005 PRESSURE: 3965600 25.3674 -37.6344 -66.0566 -37.6349 79.9187 66.3884 -66.0572 66.3873 26.3994 GPRESSURE: 3965600 20.3911 20.3437 -93.4683 -39.9406 178.646 75.5233 -29.6022 111.918 33.8046 PRESSAVG: 3965600 -12.7267 14.188 -12.4486 14.1881 18.391 -23.2999 -12.4486 -23.2998 17.5467 GPRESSAVG: 3965600 -11.9104 13.4638 -10.5385 15.8938 17.3595 -23.0707 -14.2087 -24.528 17.4924 TIMING: 3965600 CPU: 11485.6, 0.00289118/step Wall: 11485.6, 0.00289118/step, 0.830732 hours remaining, 211.039062 MB of memory in use. ENERGY: 3965600 737.4828 2136.3457 1960.3352 129.1046 -205947.1718 17853.1298 0.0000 0.0000 34332.8961 -148797.8776 299.8377 -183130.7737 -148698.5249 300.2473 43.8952 77.6140 558196.4517 7.7370 7.6471 PRESSURE: 3965800 -92.9554 -154.018 56.7525 -154.017 30.5659 -176.021 56.7516 -176.023 -63.0693 GPRESSURE: 3965800 -47.2733 -200.568 25.458 -119.171 55.0563 -177.513 151.806 -147.408 -28.1126 PRESSAVG: 3965800 10.1267 -42.8315 -34.7589 -42.8315 13.8205 -43.08 -34.7589 -43.0799 13.2601 GPRESSAVG: 3965800 10.7911 -42.582 -35.935 -44.3893 13.8807 -41.9963 -35.2167 -41.5839 12.5321 TIMING: 3965800 CPU: 11486.2, 0.00289824/step Wall: 11486.2, 0.00289824/step, 0.832601 hours remaining, 211.039062 MB of memory in use. ENERGY: 3965800 778.5221 2166.1452 1941.4655 107.0124 -205801.2882 17558.8007 0.0000 0.0000 34397.6939 -148851.6484 300.4036 -183249.3423 -148758.2086 300.0739 -41.8196 -6.7765 557227.6040 12.4024 12.4013 PRESSURE: 3966000 -270.303 86.1178 70.9757 86.1167 -191.353 76.4886 70.9754 76.49 -7.86854 GPRESSURE: 3966000 -232.936 80.7386 11.4208 67.2325 -138.788 111.079 59.2281 1.95358 7.16637 PRESSAVG: 3966000 -47.2077 -78.1919 -51.9603 -78.192 -7.25049 37.4172 -51.9603 37.4174 53.8016 GPRESSAVG: 3966000 -47.742 -80.2202 -51.7692 -76.5193 -7.77423 35.3696 -51.1307 34.7053 54.0752 TIMING: 3966000 CPU: 11486.8, 0.00289373/step Wall: 11486.8, 0.00289373/step, 0.831144 hours remaining, 211.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3966000 756.9796 2083.7689 1964.4437 115.9455 -206091.1962 17753.9530 0.0000 0.0000 34437.5358 -148978.5696 300.7516 -183416.1054 -148879.6636 300.1953 -156.5080 -121.5193 558794.6048 -0.2189 -0.4803 PRESSURE: 3966200 -153.076 109.596 40.3603 109.598 188.094 -67.1993 40.3593 -67.1995 -50.0421 GPRESSURE: 3966200 -81.0401 55.9412 25.9208 112.99 201.407 -92.4241 76.6123 -19.572 -34.2444 PRESSAVG: 3966200 -33.742 -11.2514 20.6158 -11.2515 27.2687 -22.3507 20.6158 -22.3506 12.2902 GPRESSAVG: 3966200 -32.826 -10.417 20.732 -10.5893 26.8385 -21.5033 18.7534 -21.0231 11.8388 TIMING: 3966200 CPU: 11487.3, 0.00287518/step Wall: 11487.3, 0.00287518/step, 0.825656 hours remaining, 211.039062 MB of memory in use. ENERGY: 3966200 749.2752 2112.5679 1971.5006 106.5102 -206030.7183 17822.1277 0.0000 0.0000 34292.8523 -148975.8844 299.4880 -183268.7367 -148877.0497 300.0948 -5.0080 28.7076 557943.9481 1.9389 1.9504 PRESSURE: 3966400 -448.91 6.99517 -36.8063 6.99558 -160.438 -14.5367 -36.8084 -14.5349 122.933 GPRESSURE: 3966400 -470.028 -38.9127 -65.5735 18.83 -49.6808 -28.099 -78.8756 3.68357 140.083 PRESSAVG: 3966400 -30.1658 -55.7384 2.68332 -55.7383 20.819 17.3766 2.68343 17.3767 31.6462 GPRESSAVG: 3966400 -30.8805 -54.6273 1.42649 -57.6966 20.878 19.0963 5.70207 18.3071 32.6846 TIMING: 3966400 CPU: 11487.9, 0.00285618/step Wall: 11487.9, 0.00285618/step, 0.820042 hours remaining, 211.039062 MB of memory in use. ENERGY: 3966400 773.4969 2097.5986 1944.5540 119.8706 -206070.4852 17659.5393 0.0000 0.0000 34464.8845 -149010.5411 300.9904 -183475.4257 -148918.9212 300.5241 -162.1384 -126.5417 558439.8749 7.4331 7.5607 PRESSURE: 3966600 -337.93 -2.84577 -22.2443 -2.84583 -472.913 141.433 -22.2451 141.433 -134.48 GPRESSURE: 3966600 -335.704 -145.567 15.5569 101.881 -402.018 119.196 -8.96845 179.704 -117.925 PRESSAVG: 3966600 -47.2336 33.8424 -46.7495 33.8423 34.6985 -12.5339 -46.7496 -12.5339 -52.7911 GPRESSAVG: 3966600 -47.3563 31.1045 -44.6852 35.6843 35.5463 -14.0617 -49.7492 -11.9297 -53.6693 TIMING: 3966600 CPU: 11488.5, 0.00286956/step Wall: 11488.5, 0.00286956/step, 0.823722 hours remaining, 211.039062 MB of memory in use. ENERGY: 3966600 784.3270 2064.0407 1954.7834 101.8319 -205660.8795 17362.6646 0.0000 0.0000 34282.6900 -149110.5419 299.3993 -183393.2320 -149010.4776 299.4149 -315.1075 -285.2155 557523.5924 -21.7754 -21.8264 PRESSURE: 3966800 31.4257 33.885 -78.3625 33.8844 363.375 42.4608 -78.3617 42.4622 -254.31 GPRESSURE: 3966800 92.3685 88.5417 -68.3043 58.294 352.477 -42.2588 -41.9464 57.4137 -197.254 PRESSAVG: 3966800 -19.8572 -12.7587 -23.3086 -12.7587 23.8758 74.0488 -23.3086 74.0488 -72.8956 GPRESSAVG: 3966800 -19.6255 -10.2439 -25.1133 -13.8883 24.9395 76.238 -21.5513 72.2945 -73.5229 TIMING: 3966800 CPU: 11489.1, 0.00288058/step Wall: 11489.1, 0.00288058/step, 0.826727 hours remaining, 211.039062 MB of memory in use. ENERGY: 3966800 766.4952 2106.5626 1972.4048 103.0835 -206269.9627 17934.1920 0.0000 0.0000 34219.1557 -149168.0690 298.8444 -183387.2246 -149072.9240 299.5355 46.8302 82.5306 557724.4010 -22.9590 -22.7363 PRESSURE: 3967000 -166.214 36.1772 53.7385 36.1765 143.482 -114.149 53.7391 -114.148 -206.161 GPRESSURE: 3967000 -93.2674 54.1151 52.7797 -35.9658 124.189 -193.136 142.625 -55.2672 -151.461 PRESSAVG: 3967000 28.0926 -53.5044 -4.864 -53.5043 16.5951 10.8197 -4.86396 10.8196 -29.4373 GPRESSAVG: 3967000 29.5088 -53.7871 -4.60533 -52.7754 16.0687 10.2189 -4.82412 11.4377 -29.6658 TIMING: 3967000 CPU: 11489.6, 0.0028702/step Wall: 11489.6, 0.0028702/step, 0.823588 hours remaining, 211.039062 MB of memory in use. ENERGY: 3967000 771.9157 2053.5150 1941.9854 112.8271 -206174.0208 17799.6951 0.0000 0.0000 34302.8217 -149191.2607 299.5751 -183494.0824 -149090.9005 299.4015 -76.2976 -40.1795 558106.0826 5.0835 5.3039 PRESSURE: 3967200 -269.991 -73.3857 0.426716 -73.3861 -108.312 113.401 0.426908 113.403 -32.1297 GPRESSURE: 3967200 -191.759 -132.09 -94.2438 12.7402 -91.5491 174.292 52.4418 49.3608 -28.2816 PRESSAVG: 3967200 22.3772 -1.64874 5.58621 -1.64877 -5.14994 10.0413 5.58627 10.0413 -54.2591 GPRESSAVG: 3967200 20.9469 -2.62601 5.14775 -3.1864 -5.60846 9.40211 8.00603 9.14229 -52.466 TIMING: 3967200 CPU: 11490.2, 0.00287563/step Wall: 11490.2, 0.00287563/step, 0.824987 hours remaining, 211.039062 MB of memory in use. ENERGY: 3967200 769.0319 2053.5519 1987.8132 98.1527 -206180.9209 17639.5622 0.0000 0.0000 34316.5904 -149316.2186 299.6953 -183632.8090 -149215.9732 298.7776 -136.8109 -103.8631 559694.2266 -12.3440 -12.3759 PRESSURE: 3967400 -346.863 97.9872 -98.219 97.9874 -160.822 210.295 -98.2191 210.295 -269.719 GPRESSURE: 3967400 -294.055 126.401 -133.329 4.36067 -146.511 187.324 -99.7782 230.661 -237.199 PRESSAVG: 3967400 10.3159 -33.3131 -29.9263 -33.3131 40.3449 17.4049 -29.9263 17.405 10.7791 GPRESSAVG: 3967400 10.3622 -32.3207 -28.537 -33.0241 40.653 16.064 -32.1893 18.5603 10.8966 TIMING: 3967400 CPU: 11490.8, 0.00286525/step Wall: 11490.8, 0.00286525/step, 0.821849 hours remaining, 211.039062 MB of memory in use. ENERGY: 3967400 756.5363 2141.3049 1969.2063 99.1223 -205672.5785 17495.1034 0.0000 0.0000 33966.9033 -149244.4020 296.6414 -183211.3053 -149145.1549 299.1659 -259.1345 -225.9214 559872.2853 20.4800 20.6373 PRESSURE: 3967600 -282.166 56.4488 107.631 56.4479 54.3098 -43.0061 107.632 -43.0052 -63.1979 GPRESSURE: 3967600 -227.929 23.9598 124.57 76.558 63.9028 -112.163 113.878 -3.43112 -38.8723 PRESSAVG: 3967600 -42.749 8.88498 35.8013 8.88496 -23.4928 36.4028 35.8013 36.4028 55.6078 GPRESSAVG: 3967600 -41.904 9.17485 35.4979 11.0771 -23.6469 36.8273 38.0377 36.3197 55.0085 TIMING: 3967600 CPU: 11491.3, 0.00287419/step Wall: 11491.3, 0.00287419/step, 0.824254 hours remaining, 211.039062 MB of memory in use. ENERGY: 3967600 767.6525 2096.2375 1936.3835 107.8627 -206384.4370 17864.0048 0.0000 0.0000 34277.6435 -149334.6523 299.3552 -183612.2959 -149234.3072 299.3680 -97.0179 -67.6328 557438.6326 -3.5447 -3.5142 PRESSURE: 3967800 -111.807 32.5306 110.49 32.5312 -46.8135 18.3464 110.49 18.3478 229.78 GPRESSURE: 3967800 -80.2635 -6.30663 49.5159 46.9145 46.2145 27.2781 124.09 40.8941 212.553 PRESSAVG: 3967800 -5.84103 38.9869 38.9207 38.9869 43.1963 18.1727 38.9206 18.1728 -41.6921 GPRESSAVG: 3967800 -6.02876 37.7548 37.9983 38.5815 42.6186 19.966 38.4771 16.1846 -41.2389 TIMING: 3967800 CPU: 11491.9, 0.00288985/step Wall: 11491.9, 0.00288985/step, 0.828584 hours remaining, 211.039062 MB of memory in use. ENERGY: 3967800 777.6796 2143.1827 1949.0534 120.8424 -206240.9860 17654.6750 0.0000 0.0000 34439.1651 -149156.3877 300.7658 -183595.5528 -149060.4809 299.5323 23.7197 59.5013 556256.8744 -1.4456 -1.5497 PRESSURE: 3968000 -375.317 50.1752 -100.588 50.1746 -56.6907 -7.27416 -100.586 -7.27447 -212.983 GPRESSURE: 3968000 -280.946 99.0837 -52.5303 -17.4208 -45.7666 -49.5523 -137.73 56.2372 -208.225 PRESSAVG: 3968000 23.7764 7.98404 -60.153 7.98395 -1.06665 20.0749 -60.1529 20.075 31.1694 GPRESSAVG: 3968000 23.794 8.9092 -57.5543 7.15687 -0.317552 19.3168 -64.5119 21.2307 30.3351 TIMING: 3968000 CPU: 11492.5, 0.00287641/step Wall: 11492.5, 0.00287642/step, 0.824572 hours remaining, 211.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3968000 764.5021 2092.4912 1963.4380 109.2467 -206118.1085 17587.5061 0.0000 0.0000 34455.6321 -149145.2923 300.9096 -183600.9244 -149044.9838 299.6672 -214.9967 -178.3127 558348.7619 17.9597 17.9372 PRESSURE: 3968200 35.5671 -3.23389 -238.772 -3.23495 69.6398 0.484266 -238.772 0.483678 -177.025 GPRESSURE: 3968200 89.8987 -40.6719 -296.371 -74.5688 85.0425 60.1193 -101.882 -38.9029 -146.122 PRESSAVG: 3968200 -63.0242 -0.474385 -28.3521 -0.474393 17.3464 -16.8405 -28.3521 -16.8405 53.8116 GPRESSAVG: 3968200 -63.3169 -2.01125 -28.859 -0.996068 16.9377 -16.8985 -26.2645 -17.5497 54.7356 TIMING: 3968200 CPU: 11493.1, 0.00287446/step Wall: 11493.1, 0.00287446/step, 0.823851 hours remaining, 211.039062 MB of memory in use. ENERGY: 3968200 756.0580 2109.2104 1931.9698 104.1606 -206398.6064 17809.5296 0.0000 0.0000 34478.2548 -149209.4231 301.1072 -183687.6779 -149112.8857 299.2796 -23.9393 9.6064 556056.5583 2.7113 2.7855 LDB: ============= START OF LOAD BALANCING ============== 11496.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11496.5 LDB: =============== DONE WITH MIGRATION ================ 11496.5 LDB: ============= START OF LOAD BALANCING ============== 11496.8 LDB: Largest compute 4772 load 0.025623 is 21.7% of average load 0.118060 LDB: Average compute 0.001727 is 1.5% of average load 0.118060 LDB: TIME 11496.8 LOAD: AVG 0.11806 MAX 0.17944 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.922 MB LDB: TIME 11496.8 LOAD: AVG 0.11806 MAX 0.17944 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.922 MB LDB: TIME 11496.8 LOAD: AVG 0.11806 MAX 0.17944 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11496.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11496.8 PRESSURE: 3968400 -116.007 -69.6503 154.693 -69.6492 145.743 94.9288 154.694 94.9284 40.3056 GPRESSURE: 3968400 -45.4018 -71.2114 226.151 -65.2008 195.689 88.676 87.8878 137.438 25.9343 PRESSAVG: 3968400 -40.5518 -12.181 -40.4682 -12.1809 52.6975 -36.4425 -40.4682 -36.4425 3.54561 GPRESSAVG: 3968400 -39.2605 -14.0133 -43.1903 -10.2723 52.6692 -39.6454 -39.2401 -34.7202 2.33096 TIMING: 3968400 CPU: 11493.7, 0.00293827/step Wall: 11493.7, 0.00293827/step, 0.841977 hours remaining, 210.863281 MB of memory in use. ENERGY: 3968400 746.3192 2132.7640 1944.3826 102.6771 -206260.7311 17730.0437 0.0000 0.0000 34522.8886 -149081.6558 301.4970 -183604.5444 -148983.7584 299.6649 23.3471 58.7406 555775.3587 5.2304 5.2465 PRESSURE: 3968600 -191.987 -21.5194 20.621 -21.5194 -444.656 15.9949 20.6204 15.9936 -191 GPRESSURE: 3968600 -94.2465 -46.3984 20.0189 -62.4929 -459.901 52.3504 38.5887 -44.0948 -178.407 PRESSAVG: 3968600 -37.3768 -2.42876 -19.2707 -2.42883 27.7954 2.93037 -19.2708 2.93033 5.01478 GPRESSAVG: 3968600 -38.0955 2.2962 -18.8639 -4.47556 28.1301 3.18777 -19.5228 3.98937 5.00879 TIMING: 3968600 CPU: 11494.2, 0.00289347/step Wall: 11494.2, 0.00289347/step, 0.82898 hours remaining, 210.863281 MB of memory in use. ENERGY: 3968600 733.8151 2028.3349 1959.5315 108.8989 -205588.3702 17452.1550 0.0000 0.0000 33960.6921 -149344.9427 296.5872 -183305.6348 -149248.5138 300.2746 -275.8811 -244.1849 557454.5443 -1.5222 -1.6522 PRESSURE: 3968800 -136.27 60.6397 127.548 60.6402 19.709 -96.1148 127.548 -96.1157 35.1871 GPRESSURE: 3968800 -156.828 110.231 159.866 117.973 58.9674 -76.974 111.916 -122.518 124.308 PRESSAVG: 3968800 22.2689 -12.3526 5.41842 -12.3526 -17.7133 -47.0112 5.41845 -47.0112 4.92693 GPRESSAVG: 3968800 22.583 -14.4714 5.02872 -11.3727 -17.8882 -44.2998 5.71159 -49.6695 4.70912 TIMING: 3968800 CPU: 11494.8, 0.00288367/step Wall: 11494.8, 0.00288367/step, 0.82601 hours remaining, 210.863281 MB of memory in use. ENERGY: 3968800 765.0960 2055.0912 1972.5034 108.8803 -206005.2763 17724.0689 0.0000 0.0000 34184.6010 -149195.0355 298.5426 -183379.6365 -149093.8941 298.8713 -27.1246 8.8155 557366.1948 3.1609 3.1346 PRESSURE: 3969000 -246.949 113.593 -85.0421 113.594 -76.4947 251.881 -85.0422 251.881 -103.015 GPRESSURE: 3969000 -248.136 120.49 -121.66 71.4772 -42.4163 340.943 -137.468 287.305 -35.8415 PRESSAVG: 3969000 -20.2181 11.8514 -23.7678 11.8515 -9.17603 -32.3462 -23.7679 -32.3462 38.8233 GPRESSAVG: 3969000 -20.9565 11.0608 -24.5462 11.9612 -9.64521 -33.2092 -23.7157 -31.3772 39.3327 TIMING: 3969000 CPU: 11495.4, 0.00288586/step Wall: 11495.4, 0.00288586/step, 0.826477 hours remaining, 210.863281 MB of memory in use. ENERGY: 3969000 728.4647 2100.7979 1942.3868 104.7917 -206172.9612 17576.0280 0.0000 0.0000 34457.9871 -149262.5049 300.9302 -183720.4921 -149165.8717 298.8312 -142.1529 -108.7978 557223.1488 3.1431 2.9103 PRESSURE: 3969200 -148.61 106.994 -60.8251 106.993 -76.8276 175.35 -60.8241 175.351 31.747 GPRESSURE: 3969200 -113 53.8804 8.30825 158.336 -55.2343 182.87 -110.38 97.6484 69.7938 PRESSAVG: 3969200 -13.7684 16.1972 -33.8586 16.1972 -27.864 32.6074 -33.8585 32.6073 49.474 GPRESSAVG: 3969200 -14.934 15.6044 -32.6466 15.4502 -26.8806 32.5035 -36.1237 30.8357 50.2393 TIMING: 3969200 CPU: 11496, 0.00287689/step Wall: 11496, 0.00287689/step, 0.823751 hours remaining, 210.863281 MB of memory in use. ENERGY: 3969200 768.5042 2049.1219 1961.0909 117.5304 -206063.2462 17692.6534 0.0000 0.0000 34186.0687 -149288.2767 298.5554 -183474.3454 -149192.4682 299.0252 -64.5636 -32.8135 557046.3559 2.6139 2.8083 PRESSURE: 3969400 -179.657 -173.392 -61.0771 -173.392 126.283 99.9691 -61.0763 99.9696 100.139 GPRESSURE: 3969400 -128.082 -144.095 7.43579 -226.111 99.8902 -38.9827 -18.2945 145.021 159.107 PRESSAVG: 3969400 -50.8198 30.3419 -47.9926 30.3419 0.422029 50.422 -47.9926 50.4221 71.9471 GPRESSAVG: 3969400 -49.9862 32.5964 -48.6508 30.1808 -1.01776 49.9982 -45.291 51.325 72.3382 TIMING: 3969400 CPU: 11496.5, 0.0028747/step Wall: 11496.5, 0.0028747/step, 0.822963 hours remaining, 210.863281 MB of memory in use. ENERGY: 3969400 712.7995 2136.5421 1963.1308 113.4987 -206359.1520 17879.8512 0.0000 0.0000 34417.3624 -149135.9672 300.5754 -183553.3297 -149037.3761 299.8877 15.5882 43.6385 555907.9662 7.1831 7.1114 PRESSURE: 3969600 50.5775 -39.5208 -30.4089 -39.5197 -110.494 65.0439 -30.4093 65.0448 -195.762 GPRESSURE: 3969600 53.5118 -62.5204 -13.9899 26.0876 -54.6775 46.9469 -4.5569 124.523 -145.098 PRESSAVG: 3969600 -67.3393 20.4256 4.61323 20.4255 14.8397 -46.2812 4.61336 -46.2811 23.9021 GPRESSAVG: 3969600 -67.9115 20.8752 5.92879 20.505 15.4171 -46.5382 4.70811 -45.7511 24.0299 TIMING: 3969600 CPU: 11497.1, 0.00288556/step Wall: 11497.1, 0.00288556/step, 0.82591 hours remaining, 210.863281 MB of memory in use. ENERGY: 3969600 705.3697 2126.7452 1936.9751 120.9805 -205737.2270 17569.4699 0.0000 0.0000 34161.1475 -149116.5391 298.3378 -183277.6866 -149020.7246 299.0028 -85.2262 -48.7547 558388.5114 -9.5325 -9.4882 PRESSURE: 3969800 169.482 142.773 -100.722 142.775 3.20933 107.136 -100.721 107.138 264.572 GPRESSURE: 3969800 245.02 117.254 -112.137 59.7644 45.0196 46.7118 -32.8571 168.528 251.602 PRESSAVG: 3969800 -30.8317 2.96446 -74.9857 2.96447 -26.597 7.50699 -74.9856 7.50696 62.3281 GPRESSAVG: 3969800 -30.3615 2.72169 -76.6973 2.79898 -27.7861 7.4361 -75.0865 9.3659 62.4203 TIMING: 3969800 CPU: 11497.7, 0.00287784/step Wall: 11497.7, 0.00287784/step, 0.823543 hours remaining, 210.863281 MB of memory in use. ENERGY: 3969800 752.6190 2105.2263 1943.0334 108.9099 -206122.6344 18034.5315 0.0000 0.0000 34165.6348 -149012.6794 298.3770 -183178.3142 -148915.1118 299.5041 145.7544 180.5469 557416.7372 1.6331 1.4242 PRESSURE: 3970000 -56.7758 -38.7918 -45.4964 -38.7926 80.2282 -62.8516 -45.4966 -62.8504 -75.9965 GPRESSURE: 3970000 6.04804 -62.3705 -84.6612 80.9565 101.589 8.8378 -52.2533 -146.055 -59.5949 PRESSAVG: 3970000 76.4094 -3.86959 -48.7377 -3.86958 -110.88 -4.56411 -48.7377 -4.56407 8.57997 GPRESSAVG: 3970000 76.9704 -5.13078 -45.0927 -3.28363 -109.73 -4.42844 -51.777 -6.67082 7.21181 TIMING: 3970000 CPU: 11498.3, 0.00288059/step Wall: 11498.3, 0.00288059/step, 0.824168 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3970000 750.4384 2107.2757 1935.1664 119.4274 -205922.2804 17854.7931 0.0000 0.0000 34168.5800 -148986.5994 298.4027 -183155.1794 -148892.9863 299.5173 -17.5147 16.0141 557934.1259 -8.6303 -8.5160 PRESSURE: 3970200 105.613 100.385 231.696 100.385 21.2925 214.848 231.697 214.848 -233.005 GPRESSURE: 3970200 101.459 177.78 235.985 88.6699 39.9548 152.63 104.087 123.494 -150.872 PRESSAVG: 3970200 -10.8016 -15.3622 -21.695 -15.3622 36.1784 54.8548 -21.6951 54.855 10.8318 GPRESSAVG: 3970200 -12.0363 -15.2196 -23.661 -14.3102 35.8158 55.9376 -19.2882 55.9846 12.5214 TIMING: 3970200 CPU: 11498.9, 0.00288854/step Wall: 11498.9, 0.00288854/step, 0.826284 hours remaining, 210.863281 MB of memory in use. ENERGY: 3970200 755.8861 2110.3869 1955.6622 112.3397 -206108.1378 17892.9134 0.0000 0.0000 34135.2562 -149145.6932 298.1117 -183280.9495 -149049.1585 299.2423 -35.3665 -3.1526 557330.4337 12.0695 12.1003 PRESSURE: 3970400 140.177 53.8451 5.45166 53.846 88.5683 -14.9434 5.45316 -14.9435 -103.391 GPRESSURE: 3970400 186.892 22.9853 -29.5819 80.0334 134.114 33.9346 67.0577 4.12376 -86.4686 PRESSAVG: 3970400 22.4651 -5.67413 -19.8654 -5.67406 4.28313 57.195 -19.8654 57.1951 -13.5991 GPRESSAVG: 3970400 23.5065 -5.91718 -16.9688 -6.37278 3.87741 56.1961 -20.5994 55.4495 -14.1741 TIMING: 3970400 CPU: 11499.4, 0.00286315/step Wall: 11499.4, 0.00286315/step, 0.81886 hours remaining, 210.863281 MB of memory in use. ENERGY: 3970400 715.5973 2027.1860 1954.7818 117.7889 -206174.3095 17873.1658 0.0000 0.0000 34212.8275 -149272.9621 298.7891 -183485.7896 -149173.0597 299.5177 41.7847 78.1790 557855.7018 4.3830 4.4033 PRESSURE: 3970600 42.7505 -197.268 90.2077 -197.268 22.4995 -2.20898 90.2068 -2.20808 50.93 GPRESSURE: 3970600 126.833 -196.924 106.576 -107.647 8.63768 38.6184 76.8787 -9.78233 85.1449 PRESSAVG: 3970600 0.301611 42.8503 -9.6158 42.8503 13.5008 12.7604 -9.6159 12.7605 -3.25787 GPRESSAVG: 3970600 -0.641641 42.2545 -10.6654 42.7591 13.3413 12.1996 -8.44762 13.2753 -2.46221 TIMING: 3970600 CPU: 11500, 0.00288089/step Wall: 11500, 0.00288089/step, 0.823774 hours remaining, 210.863281 MB of memory in use. ENERGY: 3970600 748.2265 2117.0735 1961.0505 125.8946 -206402.6203 18044.1048 0.0000 0.0000 34376.8798 -149029.3906 300.2218 -183406.2704 -148942.6434 299.1110 38.7266 73.5386 559014.4928 3.5149 3.4125 PRESSURE: 3970800 355.343 -42.1936 55.9746 -42.1938 18.2958 111.845 55.9738 111.846 227.908 GPRESSURE: 3970800 344.846 28.3472 56.6082 -121.21 90.6129 115.231 19.6186 55.0156 263.996 PRESSAVG: 3970800 48.0302 32.7387 46.7833 32.7388 -66.2336 69.4387 46.7833 69.4386 43.6306 GPRESSAVG: 3970800 47.1876 33.7377 45.4582 31.9906 -66.3066 69.9142 47.6362 70.4043 44.7041 TIMING: 3970800 CPU: 11500.6, 0.0028668/step Wall: 11500.6, 0.0028668/step, 0.819587 hours remaining, 210.863281 MB of memory in use. ENERGY: 3970800 716.7336 2155.8089 1925.7491 117.0989 -206446.9808 18051.9923 0.0000 0.0000 34514.4149 -148965.1832 301.4230 -183479.5980 -148871.4311 299.9920 200.5157 233.1515 558904.2976 8.4757 8.5284 PRESSURE: 3971000 -45.0307 244.46 34.1926 244.461 48.568 84.6467 34.1922 84.6448 -201.351 GPRESSURE: 3971000 -25.9616 240.242 105.209 160.27 72.6901 148.531 22.7003 70.848 -137.665 PRESSAVG: 3971000 72.3567 -10.6708 21.0195 -10.6709 -19.1274 81.2996 21.0195 81.2996 -50.0779 GPRESSAVG: 3971000 71.8825 -12.164 22.9471 -10.4406 -18.751 82.5863 19.2764 80.9565 -50.3592 TIMING: 3971000 CPU: 11501.1, 0.00286652/step Wall: 11501.1, 0.00286652/step, 0.819347 hours remaining, 210.863281 MB of memory in use. ENERGY: 3971000 751.3528 2117.2303 1939.4798 106.3769 -205927.8195 17607.2534 0.0000 0.0000 34162.4926 -149243.6338 298.3495 -183406.1264 -149150.0539 299.3363 -65.9381 -30.3120 558461.2317 1.0505 0.9241 PRESSURE: 3971200 3.54174 -40.5624 -26.9675 -40.5631 -327.893 189.223 -26.9674 189.225 -234.518 GPRESSURE: 3971200 51.073 5.66639 -0.944327 -30.6378 -256.717 160.319 -129.847 183.543 -260.97 PRESSAVG: 3971200 57.8308 12.7285 -3.97949 12.7285 -17.7906 -12.1229 -3.97945 -12.1228 3.6468 GPRESSAVG: 3971200 59.7781 13.5327 -4.90433 12.9914 -18.4214 -12.4305 -3.91381 -12.2774 2.22582 TIMING: 3971200 CPU: 11501.7, 0.00286273/step Wall: 11501.7, 0.00286273/step, 0.818106 hours remaining, 210.863281 MB of memory in use. ENERGY: 3971200 739.8607 2083.5769 1950.7636 113.8276 -206203.3180 17751.2497 0.0000 0.0000 34210.7959 -149353.2435 298.7714 -183564.0394 -149253.3369 298.9114 -186.2898 -155.5378 558313.9989 14.5623 14.5275 PRESSURE: 3971400 -122.565 -0.708362 90.7022 -0.707415 -238.582 -8.81937 90.7018 -8.81991 -154.463 GPRESSURE: 3971400 -172.004 -36.3115 68.9473 14.6253 -166.208 4.22918 45.269 83.4313 -80.8335 PRESSAVG: 3971400 15.2345 -1.80708 35.3118 -1.80715 -27.9192 -6.98613 35.3118 -6.98609 39.6328 GPRESSAVG: 3971400 14.6957 -2.80508 34.9581 -1.77102 -27.7252 -7.35415 34.3439 -6.56589 39.6839 TIMING: 3971400 CPU: 11502.3, 0.00286053/step Wall: 11502.3, 0.00286053/step, 0.817317 hours remaining, 210.863281 MB of memory in use. ENERGY: 3971400 742.8583 2054.7959 1944.0803 107.8633 -206187.7156 17643.4044 0.0000 0.0000 34371.5404 -149323.1730 300.1752 -183694.7134 -149226.0032 298.1294 -171.8700 -139.6819 558452.2129 8.9827 8.8848 PRESSURE: 3971600 -45.0461 -95.0894 3.27932 -95.0879 -127.577 178.396 3.27794 178.396 109.456 GPRESSURE: 3971600 -3.83047 -124.309 40.9267 -99.8742 -57.9827 183.009 72.833 228.83 105.136 PRESSAVG: 3971600 17.2796 -35.5321 -12.7159 -35.5321 3.49414 -46.255 -12.7159 -46.255 26.8258 GPRESSAVG: 3971600 16.99 -36.0575 -12.2153 -34.6404 3.49099 -44.9922 -12.1426 -46.2375 27.3898 TIMING: 3971600 CPU: 11502.9, 0.00288338/step Wall: 11502.9, 0.00288338/step, 0.823686 hours remaining, 210.863281 MB of memory in use. ENERGY: 3971600 730.9716 2118.5742 1940.2696 94.1597 -206033.8344 17666.4267 0.0000 0.0000 34353.5028 -149129.9298 300.0177 -183483.4326 -149034.5527 299.3615 -21.0556 14.4408 557585.4459 15.8665 15.9569 PRESSURE: 3971800 29.2426 -96.9108 30.6256 -96.9096 12.639 57.891 30.626 57.8897 -95.4615 GPRESSURE: 3971800 51.5875 -103.758 -0.63177 -194.499 72.3423 138.11 35.0486 100.887 -58.1298 PRESSAVG: 3971800 -6.44403 -24.7358 54.0759 -24.7358 -41.6995 -8.56057 54.0758 -8.56065 15.8481 GPRESSAVG: 3971800 -7.11125 -25.111 54.4293 -24.0726 -40.9585 -9.74601 56.0543 -9.7443 15.9577 TIMING: 3971800 CPU: 11503.5, 0.00290562/step Wall: 11503.5, 0.00290562/step, 0.829878 hours remaining, 210.863281 MB of memory in use. ENERGY: 3971800 767.9726 2120.0575 1935.0791 102.9055 -206236.1331 17771.8712 0.0000 0.0000 34391.8613 -149146.3859 300.3527 -183538.2472 -149056.2914 299.9739 -17.8600 21.9333 557536.7243 -10.7652 -10.7040 PRESSURE: 3972000 349.82 -357.979 -117.409 -357.979 209.444 -113.197 -117.409 -113.197 288.695 GPRESSURE: 3972000 352.683 -313.199 -98.8233 -410.245 230.628 -178.528 -114.464 -41.8493 361.67 PRESSAVG: 3972000 -78.5096 -52.392 0.73385 -52.3921 89.2015 12.5142 0.733997 12.5141 -4.11649 GPRESSAVG: 3972000 -78.989 -51.3883 0.707328 -52.2939 88.6636 13.8062 -0.424069 11.8748 -3.3074 TIMING: 3972000 CPU: 11504, 0.0028785/step Wall: 11504, 0.0028785/step, 0.821972 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3972000 709.6241 2110.0800 1946.7502 121.8158 -206601.4404 18362.5475 0.0000 0.0000 34264.8184 -149085.8046 299.2432 -183350.6230 -148991.5738 299.1046 282.6528 314.9936 558889.3220 2.1918 2.1224 PRESSURE: 3972200 178.857 -89.1758 46.2515 -89.1762 -108.221 4.61598 46.2494 4.61615 238.753 GPRESSURE: 3972200 229.856 -32.3789 -2.05103 -98.3163 -49.7164 -37.1895 126.005 98.939 233.524 PRESSAVG: 3972200 20.6672 -4.6066 6.52358 -4.60667 4.08543 -45.0738 6.52364 -45.0738 -0.0306709 GPRESSAVG: 3972200 21.2199 -4.74071 4.15084 -5.18873 4.04402 -45.7366 7.56581 -44.6179 -1.25234 TIMING: 3972200 CPU: 11504.6, 0.00288841/step Wall: 11504.6, 0.00288841/step, 0.824642 hours remaining, 210.863281 MB of memory in use. ENERGY: 3972200 744.0425 2124.1241 1940.0365 119.8920 -206227.9137 17983.4528 0.0000 0.0000 34357.3757 -148958.9901 300.0515 -183316.3658 -148862.1023 299.3924 103.1294 137.8878 558436.1941 8.2406 8.0039 LDB: ============= START OF LOAD BALANCING ============== 11508 LDB: ============== END OF LOAD BALANCING =============== 11508 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11508 LDB: ============= START OF LOAD BALANCING ============== 11508.3 LDB: Largest compute 4794 load 0.023190 is 19.6% of average load 0.118028 LDB: Average compute 0.001723 is 1.5% of average load 0.118028 LDB: TIME 11508.3 LOAD: AVG 0.118028 MAX 0.183308 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.051 MB LDB: TIME 11508.3 LOAD: AVG 0.118028 MAX 0.183308 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: TIME 11508.3 LOAD: AVG 0.118028 MAX 0.183308 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11508.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11508.3 PRESSURE: 3972400 -15.9902 106.802 7.29071 106.801 255.13 -108.747 7.29066 -108.748 272.762 GPRESSURE: 3972400 11.7225 171.896 78.5648 47.6616 319.321 -111.598 -42.2212 -57.7203 286.274 PRESSAVG: 3972400 -41.849 22.7377 -26.7817 22.7377 26.2079 -26.1703 -26.7817 -26.1704 30.2321 GPRESSAVG: 3972400 -42.5817 22.6963 -25.7233 21.2293 27.2632 -28.1139 -29.1373 -25.2175 30.1634 TIMING: 3972400 CPU: 11505.2, 0.0029625/step Wall: 11505.2, 0.0029625/step, 0.845629 hours remaining, 211.425781 MB of memory in use. ENERGY: 3972400 736.6528 2115.4982 1960.5494 103.9062 -206561.2879 18115.9197 0.0000 0.0000 34420.9578 -149107.8038 300.6068 -183528.7616 -149014.3671 300.0341 170.6338 205.7723 557706.0949 4.8637 4.9483 PRESSURE: 3972600 -144.412 22.8045 -180.167 22.8051 -28.5201 79.7079 -180.167 79.7081 34.5454 GPRESSURE: 3972600 -109.37 8.16305 -183.669 13.7937 55.2006 -21.886 -85.6062 111.867 0.283409 PRESSAVG: 3972600 -4.04152 50.1845 -59.9041 50.1846 -12.2947 -52.0584 -59.9042 -52.0584 31.2526 GPRESSAVG: 3972600 -3.11901 50.0319 -57.7617 51.8293 -13.0962 -51.3087 -60.145 -53.8639 31.6276 TIMING: 3972600 CPU: 11505.8, 0.00287839/step Wall: 11505.8, 0.00287839/step, 0.82146 hours remaining, 211.628906 MB of memory in use. ENERGY: 3972600 776.9014 2037.9395 1968.1581 106.7273 -206419.4109 17922.9455 0.0000 0.0000 34381.6678 -149225.0714 300.2637 -183606.7392 -149130.5842 300.0121 -46.1289 -17.9621 558033.7451 4.9721 5.1375 PRESSURE: 3972800 40.0132 14.2537 12.6488 14.2523 -77.0331 -2.19333 12.6494 -2.19408 -39.8668 GPRESSURE: 3972800 102.091 53.824 104.305 -9.82482 -52.9582 -86.0452 -76.5354 27.2951 -17.7326 PRESSAVG: 3972800 -61.4234 7.76576 -31.2182 7.76586 6.74729 -27.586 -31.2182 -27.5861 14.2119 GPRESSAVG: 3972800 -61.7109 5.3425 -32.4005 9.16262 7.38704 -27.2002 -30.9015 -28.0262 13.8323 TIMING: 3972800 CPU: 11506.4, 0.00288929/step Wall: 11506.4, 0.00288929/step, 0.824411 hours remaining, 211.628906 MB of memory in use. ENERGY: 3972800 749.8924 2051.1519 1942.6622 129.8817 -206419.2650 17814.1974 0.0000 0.0000 34277.6767 -149453.8027 299.3555 -183731.4794 -149356.4646 298.9290 -25.6289 10.4668 557661.4555 -13.4881 -13.4972 PRESSURE: 3973000 399.873 -78.892 6.63625 -78.8914 66.2963 54.0671 6.63724 54.0671 -328.278 GPRESSURE: 3973000 486.982 23.9769 81.9354 -79.9138 7.56338 112.31 75.5139 15.0366 -266.704 PRESSAVG: 3973000 35.7284 -2.34354 13.3278 -2.34351 5.98967 -65.0827 13.3278 -65.0827 -26.9292 GPRESSAVG: 3973000 35.4638 -1.54466 14.8473 -4.48004 5.19124 -64.6047 13.3391 -65.9102 -25.4581 TIMING: 3973000 CPU: 11506.9, 0.00288031/step Wall: 11506.9, 0.00288031/step, 0.821688 hours remaining, 211.628906 MB of memory in use. ENERGY: 3973000 758.5675 2103.4891 1936.3574 118.7844 -206932.5264 18129.9254 0.0000 0.0000 34404.3690 -149481.0335 300.4619 -183885.4026 -149381.7834 299.1791 45.9637 75.9472 557067.2966 4.9296 5.0656 PRESSURE: 3973200 -45.744 71.4286 -23.0416 71.4258 86.717 57.1153 -23.042 57.115 -186.481 GPRESSURE: 3973200 -33.8251 29.0203 -22.1826 118.261 96.3493 9.20696 0.583974 103.961 -118.256 PRESSAVG: 3973200 36.656 -10.1463 2.05555 -10.1464 -19.7517 66.0914 2.05552 66.0915 -8.28156 GPRESSAVG: 3973200 36.2041 -9.18578 -0.0490376 -10.3158 -19.2369 65.763 4.67205 66.5908 -8.35251 TIMING: 3973200 CPU: 11507.5, 0.00288454/step Wall: 11507.5, 0.00288454/step, 0.822735 hours remaining, 211.628906 MB of memory in use. ENERGY: 3973200 749.0924 2029.0666 1969.2511 112.4194 -206381.0279 17966.7598 0.0000 0.0000 34038.4038 -149516.0347 297.2658 -183554.4385 -149425.0801 299.1038 -48.5026 -18.5771 558080.6651 2.8743 2.8716 PRESSURE: 3973400 -50.2484 -23.0427 72.9681 -23.0436 -171.295 9.63877 72.9683 9.6392 -111.138 GPRESSURE: 3973400 20.7046 75.8451 33.9122 -46.3087 -198.597 0.137586 25.6465 17.6979 -62.1216 PRESSAVG: 3973400 58.762 -3.91542 5.69192 -3.91559 -44.4546 16.9298 5.6918 16.9297 -23.0087 GPRESSAVG: 3973400 59.8287 -4.12582 6.11353 -3.35102 -44.9206 18.6774 3.31432 15.9729 -24.2256 TIMING: 3973400 CPU: 11508.1, 0.0028856/step Wall: 11508.1, 0.0028856/step, 0.822877 hours remaining, 211.628906 MB of memory in use. ENERGY: 3973400 788.0501 2079.6060 1942.2072 97.6598 -206380.6866 17862.4099 0.0000 0.0000 33865.9575 -149744.7961 295.7598 -183610.7536 -149644.3271 298.1087 -110.8937 -80.0047 557379.8799 -2.9004 -3.1058 PRESSURE: 3973600 27.3597 -14.0593 92.436 -14.059 199.152 -89.3887 92.4356 -89.3882 66.888 GPRESSURE: 3973600 66.5809 24.7936 113.537 -26.736 217.767 -123.124 13.2277 87.671 103.462 PRESSAVG: 3973600 -24.0294 -3.27702 -15.4645 -3.277 2.0944 24.1485 -15.4646 24.1486 15.6442 GPRESSAVG: 3973600 -23.7643 -3.7061 -14.7925 -2.98754 1.3175 22.2094 -15.1795 25.9951 15.7372 TIMING: 3973600 CPU: 11508.7, 0.0028982/step Wall: 11508.7, 0.0028982/step, 0.82631 hours remaining, 211.628906 MB of memory in use. ENERGY: 3973600 767.6074 1991.6044 1936.5929 108.7059 -206897.1271 18082.7353 0.0000 0.0000 34240.5474 -149769.3338 299.0312 -184009.8812 -149669.5568 297.7027 97.7999 129.2700 557122.4930 -2.0970 -2.2365 PRESSURE: 3973800 -131.705 -43.5809 -172.896 -43.5807 4.37868 96.3103 -172.895 96.3096 -95.9546 GPRESSURE: 3973800 -144.79 -85.3944 -151.083 21.0469 60.2111 18.4429 -89.5538 142.72 -37.6099 PRESSAVG: 3973800 47.0088 -20.1463 -21.5858 -20.1463 -70.4989 5.90309 -21.5857 5.90312 -7.75081 GPRESSAVG: 3973800 46.8723 -19.7954 -22.6462 -22.2396 -70.3742 5.46978 -19.4144 6.34062 -7.69845 TIMING: 3973800 CPU: 11509.2, 0.0028934/step Wall: 11509.2, 0.0028934/step, 0.82478 hours remaining, 211.628906 MB of memory in use. ENERGY: 3973800 736.3578 2109.7378 1948.1591 107.1815 -206556.3709 17949.5130 0.0000 0.0000 33852.4116 -149853.0101 295.6415 -183705.4217 -149748.4654 297.6321 -74.4269 -40.7297 558422.1263 -10.4136 -10.4001 PRESSURE: 3974000 303.771 59.6353 13.6326 59.6344 -21.1352 75.3253 13.6335 75.3242 -2.39865 GPRESSURE: 3974000 304.882 22.429 -42.8713 162.87 11.3885 47.5911 42.6176 123.174 64.1712 PRESSAVG: 3974000 15.6119 14.1992 -41.7257 14.1993 -16.955 25.5957 -41.7256 25.5958 14.1538 GPRESSAVG: 3974000 14.681 15.6592 -43.0867 14.1712 -16.0624 26.6157 -42.3636 24.8618 14.207 TIMING: 3974000 CPU: 11509.8, 0.00288609/step Wall: 11509.8, 0.00288609/step, 0.822535 hours remaining, 211.628906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3974000 725.6941 2038.5195 1955.6083 120.2099 -206595.4780 18073.1108 0.0000 0.0000 33916.8781 -149765.4573 296.2045 -183682.3354 -149667.6122 297.4889 93.4125 126.8137 558608.2690 4.2702 4.2752 PRESSURE: 3974200 -65.1955 -85.5537 132.816 -85.553 -168.32 -100.354 132.816 -100.353 107.01 GPRESSURE: 3974200 -48.6359 -67.8254 158.304 -128.047 -142.074 -39.3745 115.394 -111.392 159.544 PRESSAVG: 3974200 -24.5745 21.2453 -30.4979 21.2454 -16.2798 -0.247507 -30.498 -0.247621 53.7239 GPRESSAVG: 3974200 -23.9982 21.0841 -31.7436 21.6098 -16.3707 -1.38118 -30.1355 0.347854 52.9743 TIMING: 3974200 CPU: 11510.4, 0.00286268/step Wall: 11510.4, 0.00286268/step, 0.815706 hours remaining, 211.628906 MB of memory in use. ENERGY: 3974200 708.5074 2116.2043 1912.5010 110.1326 -206410.4037 17990.2877 0.0000 0.0000 34071.2763 -149501.4944 297.5529 -183572.7707 -149404.6892 297.5986 -42.1682 -10.3884 558829.4102 4.2899 4.2018 PRESSURE: 3974400 -149.45 -210.413 -44.4148 -210.414 -135.723 14.3862 -44.415 14.3869 -222.693 GPRESSURE: 3974400 -109.19 -130.154 -84.7733 -150.802 -63.894 33.5085 -128.763 -0.82719 -250.465 PRESSAVG: 3974400 56.0818 15.1267 -6.0026 15.1266 -14.0699 19.5633 -6.00259 19.5632 39.2438 GPRESSAVG: 3974400 56.07 13.1232 -5.0546 16.4508 -14.7668 17.7505 -7.42378 20.218 39.5144 TIMING: 3974400 CPU: 11511, 0.00288586/step Wall: 11511, 0.00288586/step, 0.822151 hours remaining, 211.628906 MB of memory in use. ENERGY: 3974400 744.4138 2110.5151 1923.0074 113.6993 -206117.2574 17669.4984 0.0000 0.0000 34141.0387 -149415.0847 298.1622 -183556.1234 -149321.2666 298.3697 -169.2887 -141.1830 558892.7766 27.0852 26.9392 PRESSURE: 3974600 -74.7577 -11.6838 161.108 -11.6842 -193.371 -58.2998 161.108 -58.2988 1.31418 GPRESSURE: 3974600 -76.1769 73.5638 191.269 -1.35418 -134.506 -45.5662 155.866 -37.629 33.9531 PRESSAVG: 3974600 -55.6056 -48.3883 -35.69 -48.3885 -25.7406 44.1694 -35.69 44.1695 44.6734 GPRESSAVG: 3974600 -56.0675 -47.0063 -33.6574 -49.1646 -25.317 46.2456 -35.3228 42.3361 45.037 TIMING: 3974600 CPU: 11511.5, 0.00286821/step Wall: 11511.5, 0.0028682/step, 0.81696 hours remaining, 211.628906 MB of memory in use. ENERGY: 3974600 719.9993 2116.3283 1938.1523 116.7099 -206252.6672 17771.6115 0.0000 0.0000 34241.8482 -149348.0177 299.0426 -183589.8659 -149249.5430 298.3131 -88.9381 -58.9099 557801.2892 -12.2242 -12.1158 PRESSURE: 3974800 -192.515 181.708 68.4373 181.708 -275.046 -176.486 68.437 -176.487 -177.165 GPRESSURE: 3974800 -179.261 199.266 -22.0829 200.853 -212.818 -137.671 64.71 -201.585 -152.073 PRESSAVG: 3974800 -32.6261 9.31821 32.6031 9.31813 -66.4653 35.3557 32.6032 35.3556 69.2385 GPRESSAVG: 3974800 -32.0792 10.3262 32.5293 10.229 -66.6641 36.0295 30.7895 34.7433 68.6283 TIMING: 3974800 CPU: 11512.1, 0.00287644/step Wall: 11512.1, 0.00287644/step, 0.819146 hours remaining, 211.628906 MB of memory in use. ENERGY: 3974800 793.5939 2049.9303 1925.3648 105.6554 -206153.6206 17562.5353 0.0000 0.0000 34312.3227 -149404.2183 299.6580 -183716.5409 -149304.4872 298.6912 -214.9086 -181.3840 556545.4616 -9.9510 -10.0383 PRESSURE: 3975000 -33.5028 -25.4195 80.3563 -25.4192 -208.119 103.631 80.3561 103.631 -38.2826 GPRESSURE: 3975000 -10.4892 -18.0106 124.026 -94.8754 -210.266 120.327 40.4494 72.8919 38.7772 PRESSAVG: 3975000 -9.24194 -3.21322 -46.5848 -3.21311 -53.4534 -14.7974 -46.5847 -14.7974 100.148 GPRESSAVG: 3975000 -7.8763 -3.7096 -47.6984 -4.11127 -54.8274 -15.988 -46.6703 -12.7595 100.527 TIMING: 3975000 CPU: 11512.7, 0.00287641/step Wall: 11512.7, 0.00287641/step, 0.818978 hours remaining, 211.628906 MB of memory in use. ENERGY: 3975000 787.6603 2068.7502 1949.5890 124.5968 -206513.8116 17791.5951 0.0000 0.0000 34346.4215 -149445.1988 299.9558 -183791.6203 -149355.4191 298.9041 -93.3014 -60.6592 556368.2137 12.4841 12.6079 PRESSURE: 3975200 27.6894 -35.603 -170.993 -35.6023 41.7636 -16.0029 -170.993 -16.0023 85.2494 GPRESSURE: 3975200 -1.21757 -39.8741 -54.5423 -23.1649 89.0567 -99.7747 -235.387 -24.2727 143.32 PRESSAVG: 3975200 -69.8297 19.6604 5.52527 19.6604 -14.9347 7.81989 5.52526 7.81997 49.9064 GPRESSAVG: 3975200 -71.3396 20.7466 7.43902 19.0934 -13.9822 9.30853 6.17252 4.57803 49.5884 TIMING: 3975200 CPU: 11513.3, 0.00288359/step Wall: 11513.3, 0.00288359/step, 0.820862 hours remaining, 211.628906 MB of memory in use. ENERGY: 3975200 710.3804 2078.3638 1948.0802 125.5453 -206212.0183 17671.5965 0.0000 0.0000 34372.7741 -149305.2780 300.1860 -183678.0521 -149210.9267 299.5253 51.5674 77.0532 556384.7109 -11.6193 -11.9112 PRESSURE: 3975400 97.1203 -114.138 58.6644 -114.138 172.609 -93.9018 58.6651 -93.9005 57.1276 GPRESSURE: 3975400 150.915 -115.195 45.7887 -125.413 177.259 -83.5927 50.5252 -31.3879 101.351 PRESSAVG: 3975400 15.5807 24.2874 -29.9086 24.2874 30.3514 6.91719 -29.9086 6.91711 -29.413 GPRESSAVG: 3975400 17.1027 22.7551 -30.6368 24.6011 29.6056 6.13319 -29.806 7.405 -30.2777 TIMING: 3975400 CPU: 11513.8, 0.00287324/step Wall: 11513.8, 0.00287324/step, 0.817757 hours remaining, 211.828125 MB of memory in use. ENERGY: 3975400 726.8590 2122.8864 1945.7302 117.1821 -206024.6752 17798.2297 0.0000 0.0000 34098.3466 -149215.4413 297.7893 -183313.7879 -149119.9466 299.0789 108.9523 143.1751 556514.0605 5.5063 5.4768 PRESSURE: 3975600 -153.502 -138.776 65.728 -138.776 -115.534 -46.5621 65.7278 -46.5627 6.30043 GPRESSURE: 3975600 -86.4857 -175.523 92.3497 -149.183 -121.667 -66.7285 38.9783 -37.6756 36.8793 PRESSAVG: 3975600 -20.3854 8.6991 -7.79625 8.69904 69.9464 14.3016 -7.79631 14.3017 -25.6658 GPRESSAVG: 3975600 -22.0471 8.2914 -8.80245 10.5192 69.9119 12.4628 -6.76939 14.3223 -24.5775 TIMING: 3975600 CPU: 11514.4, 0.0028814/step Wall: 11514.4, 0.0028814/step, 0.819919 hours remaining, 211.828125 MB of memory in use. ENERGY: 3975600 774.0211 2107.6650 1958.9887 106.8518 -206096.8509 17781.6434 0.0000 0.0000 34329.6476 -149038.0333 299.8094 -183367.6809 -148941.8615 299.4673 -87.5785 -57.0910 557722.1736 7.9651 7.7624 PRESSURE: 3975800 -186.767 12.2839 -124.532 12.2853 -139.774 -2.30181 -124.532 -2.30192 -138.088 GPRESSURE: 3975800 -154.81 58.8752 -91.562 24.4908 -113.238 -16.6995 -122.354 -27.5132 -90.5967 PRESSAVG: 3975800 -41.4824 49.6638 -8.01149 49.6638 47.6071 -4.08465 -8.01145 -4.08462 10.945 GPRESSAVG: 3975800 -41.457 48.047 -6.58741 47.86 47.1426 -2.37363 -9.37793 -4.32396 11.6919 TIMING: 3975800 CPU: 11515, 0.0028772/step Wall: 11515, 0.0028772/step, 0.818565 hours remaining, 211.828125 MB of memory in use. ENERGY: 3975800 788.4875 2103.8140 1926.3300 115.8561 -205837.3860 17639.8407 0.0000 0.0000 34351.3430 -148911.7146 299.9988 -183263.0577 -148820.1609 299.6352 -154.8766 -119.5483 559591.5881 5.6899 5.7925 PRESSURE: 3976000 -45.4474 27.7156 -13.4786 27.7153 179.019 40.6473 -13.4797 40.6461 221.495 GPRESSURE: 3976000 -28.0718 -25.7152 -60.1862 91.4296 210.256 61.948 -27.4685 22.7522 279.776 PRESSAVG: 3976000 -96.5887 -7.64213 -44.0771 -7.64213 -28.1616 -27.8248 -44.0771 -27.8248 50.1105 GPRESSAVG: 3976000 -96.3826 -4.38105 -45.3732 -8.24669 -27.3216 -26.2141 -44.2741 -29.0705 49.5456 TIMING: 3976000 CPU: 11515.6, 0.00287904/step Wall: 11515.6, 0.00287904/step, 0.818926 hours remaining, 211.828125 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: 3976000 732.0139 2133.0677 1941.7672 105.7161 -206314.2365 18021.5167 0.0000 0.0000 34228.3663 -149151.7885 298.9248 -183380.1548 -149057.7002 299.5759 118.3554 153.9868 556253.5210 -24.8800 -24.7195 PRESSURE: 3976200 -268.502 -110.403 234.931 -110.402 -110.969 24.0857 234.932 24.0862 -137.199 GPRESSURE: 3976200 -245.034 -78.8957 249.352 -188.17 -106.593 154.067 159.064 -82.2949 -50.3237 PRESSAVG: 3976200 -32.8058 9.6514 26.2967 9.65129 -2.55504 -64.2231 26.2968 -64.2231 51.4404 GPRESSAVG: 3976200 -31.813 8.76304 26.397 9.58192 -2.0015 -66.9397 27.9317 -62.2282 50.1023 TIMING: 3976200 CPU: 11516.1, 0.0028824/step Wall: 11516.1, 0.0028824/step, 0.819721 hours remaining, 211.828125 MB of memory in use. ENERGY: 3976200 769.8189 2057.4350 1957.2037 110.7121 -206259.5939 17784.2600 0.0000 0.0000 34320.8659 -149259.2982 299.7327 -183580.1641 -149153.1941 299.6274 -172.2232 -133.9835 558166.1246 5.3599 5.4293 LDB: ============= START OF LOAD BALANCING ============== 11519.5 LDB: ============== END OF LOAD BALANCING =============== 11519.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11519.5 LDB: ============= START OF LOAD BALANCING ============== 11519.8 LDB: Largest compute 4772 load 0.023055 is 19.5% of average load 0.118083 LDB: Average compute 0.001733 is 1.5% of average load 0.118083 LDB: TIME 11519.8 LOAD: AVG 0.118083 MAX 0.179712 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.973 MB LDB: TIME 11519.8 LOAD: AVG 0.118083 MAX 0.179712 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.973 MB LDB: TIME 11519.8 LOAD: AVG 0.118083 MAX 0.179712 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11519.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11519.8 PRESSURE: 3976400 -10.7843 136.524 -17.3818 136.523 -334.907 -18.4833 -17.3806 -18.4824 -95.4337 GPRESSURE: 3976400 -22.295 117.927 -33.854 115.586 -310.507 5.1496 1.63217 -9.70684 -25.7922 PRESSAVG: 3976400 -4.25324 -27.5052 1.13712 -27.5052 34.9914 -44.7228 1.13709 -44.7228 27.7082 GPRESSAVG: 3976400 -6.15465 -26.9694 0.756406 -26.9723 35.1945 -42.584 1.05394 -45.5471 29.2549 TIMING: 3976400 CPU: 11516.7, 0.00294155/step Wall: 11516.7, 0.00294155/step, 0.83638 hours remaining, 210.914062 MB of memory in use. ENERGY: 3976400 791.8034 2077.9027 1951.7233 98.9987 -206667.1056 17908.3092 0.0000 0.0000 34427.2929 -149411.0754 300.6621 -183838.3684 -149315.2164 299.5189 -147.0418 -119.5312 557438.6472 19.4821 19.4316 PRESSURE: 3976600 -3.05264 2.10505 83.4759 2.10594 1.30085 -75.8155 83.4774 -75.8172 52.5873 GPRESSURE: 3976600 3.66924 -12.4073 105.416 36.3239 52.2074 -99.3975 58.5564 -126.34 92.5596 PRESSAVG: 3976600 81.8099 -11.7196 5.78927 -11.7195 -28.119 27.2661 5.7892 27.2659 -6.1912 GPRESSAVG: 3976600 83.8035 -13.3769 7.02192 -11.6547 -28.2761 26.7119 4.55253 28.2919 -7.43646 TIMING: 3976600 CPU: 11517.3, 0.00289046/step Wall: 11517.3, 0.00289046/step, 0.821694 hours remaining, 210.984375 MB of memory in use. ENERGY: 3976600 746.3194 2039.5959 1933.2888 127.8610 -206481.4315 17899.6586 0.0000 0.0000 34347.1952 -149387.5125 299.9626 -183734.7078 -149294.5788 299.4167 16.9452 49.4788 555615.2254 15.8332 16.0303 PRESSURE: 3976800 -64.1619 49.7997 29.875 49.8005 -68.5421 117.88 29.8742 117.879 -113.493 GPRESSURE: 3976800 -77.8664 71.655 39.4002 2.83984 12.5305 193.083 -106.987 60.7754 -77.1813 PRESSAVG: 3976800 23.6942 32.6542 -26.3242 32.6542 18.8297 -33.587 -26.3242 -33.5871 -10.245 GPRESSAVG: 3976800 22.8361 33.3727 -25.8099 33.4319 18.6015 -33.6807 -25.5556 -31.2231 -9.28783 TIMING: 3976800 CPU: 11517.9, 0.00290851/step Wall: 11517.9, 0.00290851/step, 0.826662 hours remaining, 210.984375 MB of memory in use. ENERGY: 3976800 758.2970 2074.3682 1939.7580 116.8116 -206299.9208 17634.9464 0.0000 0.0000 34237.4966 -149538.2430 299.0046 -183775.7396 -149435.4354 298.8705 -82.0657 -47.5057 556429.8508 10.7596 10.7166 PRESSURE: 3977000 98.6659 48.0241 -70.6743 48.0245 -261.429 -269.433 -70.6741 -269.433 -29.3692 GPRESSURE: 3977000 105.878 32.468 -147.434 35.8553 -210.266 -256.352 -77.8309 -304.608 4.11474 PRESSAVG: 3977000 -23.7421 6.04621 33.6053 6.04617 28.624 -9.42912 33.6054 -9.429 5.23201 GPRESSAVG: 3977000 -23.8788 6.25272 31.3477 4.71076 29.009 -9.26648 33.9825 -10.9497 4.95833 TIMING: 3977000 CPU: 11518.5, 0.00287986/step Wall: 11518.5, 0.00287986/step, 0.818361 hours remaining, 210.984375 MB of memory in use. ENERGY: 3977000 719.2832 2042.7415 1947.1273 109.2809 -206038.3267 17576.9759 0.0000 0.0000 34143.8587 -149499.0592 298.1868 -183642.9179 -149404.0216 298.6584 -64.0441 -33.4246 556986.8212 3.3713 3.3628 PRESSURE: 3977200 -142.241 104.625 -195.372 104.626 235.956 -11.9553 -195.372 -11.9562 171.274 GPRESSURE: 3977200 -123.976 16.774 -100.959 130.986 294.372 23.0603 -134.223 -4.06204 183.648 PRESSAVG: 3977200 32.6434 -23.8247 -9.59577 -23.8247 -27.2887 -25.4053 -9.5958 -25.4052 9.77721 GPRESSAVG: 3977200 32.329 -26.2315 -8.4448 -21.7299 -26.8696 -23.579 -9.8839 -26.6611 9.50121 TIMING: 3977200 CPU: 11519, 0.00287727/step Wall: 11519, 0.00287727/step, 0.817464 hours remaining, 210.984375 MB of memory in use. ENERGY: 3977200 721.7982 2124.6545 1954.6716 109.7689 -206513.0772 17984.0353 0.0000 0.0000 34260.5101 -149357.6386 299.2056 -183618.1487 -149268.5403 298.9534 88.3296 118.0145 556250.1424 5.0440 4.9869 PRESSURE: 3977400 -204.21 -87.5294 28.8498 -87.5298 -394.71 -68.9118 28.8496 -68.9119 129.42 GPRESSURE: 3977400 -179.218 -63.9517 -70.3687 -27.7246 -349.689 -118.374 92.3344 -42.6757 147.506 PRESSAVG: 3977400 -33.9001 10.4291 -18.8891 10.4291 -36.984 59.8855 -18.889 59.8856 109.107 GPRESSAVG: 3977400 -35.005 11.6388 -23.3142 9.75447 -37.2068 58.2799 -17.9365 61.1298 110.444 TIMING: 3977400 CPU: 11519.6, 0.00287719/step Wall: 11519.6, 0.00287719/step, 0.817281 hours remaining, 210.984375 MB of memory in use. ENERGY: 3977400 750.1711 2148.3713 1956.5364 110.8894 -206271.2694 17533.8655 0.0000 0.0000 34432.2472 -149339.1884 300.7054 -183771.4356 -149246.9357 299.5603 -156.5001 -127.1337 557939.8687 12.7409 12.7442 PRESSURE: 3977600 -36.563 102.702 27.9297 102.702 152.615 -98.3674 27.9298 -98.3675 -201.208 GPRESSURE: 3977600 26.6153 132.267 -9.43417 -6.87851 164.42 -35.5547 3.45647 -233.627 -164.646 PRESSAVG: 3977600 28.4112 45.085 -47.9851 45.085 -30.8697 -43.6824 -47.9851 -43.6824 19.4444 GPRESSAVG: 3977600 29.9528 46.6005 -43.0222 45.59 -30.6043 -45.0145 -50.8979 -44.6277 17.8251 TIMING: 3977600 CPU: 11520.2, 0.00291161/step Wall: 11520.2, 0.00291161/step, 0.826898 hours remaining, 210.984375 MB of memory in use. ENERGY: 3977600 748.0060 2038.0821 1958.1598 107.7850 -206342.7268 17656.7114 0.0000 0.0000 34292.7841 -149541.1983 299.4874 -183833.9824 -149442.2308 298.8402 -28.3852 8.7964 555359.0960 5.6620 5.7245 PRESSURE: 3977800 -53.6598 -97.5237 69.5872 -97.5238 147.69 -174.127 69.5874 -174.127 -268.551 GPRESSURE: 3977800 -59.2863 -43.1425 -52.2811 -77.5617 163.541 -124.867 190.413 -132.781 -183.42 PRESSAVG: 3977800 -14.4187 -6.91416 -23.4869 -6.91414 39.206 -39.752 -23.4869 -39.7518 -34.9104 GPRESSAVG: 3977800 -14.756 -8.61851 -26.5655 -8.9281 39.9665 -39.317 -21.6067 -40.0648 -35.3719 TIMING: 3977800 CPU: 11520.8, 0.00287672/step Wall: 11520.8, 0.00287672/step, 0.816829 hours remaining, 210.984375 MB of memory in use. ENERGY: 3977800 720.9022 2081.0606 1936.7791 117.8790 -205796.3553 17500.6717 0.0000 0.0000 34210.7978 -149228.2649 298.7714 -183439.0627 -149120.2466 298.5586 -58.1736 -26.3883 557275.9038 -3.3744 -3.3871 PRESSURE: 3978000 -189.796 13.8457 -44.5654 13.8461 -70.3984 -70.9825 -44.565 -70.9841 -169.843 GPRESSURE: 3978000 -238.279 64.6927 20.6666 -35.1928 -7.81432 -117.198 -98.773 -12.9601 -106.35 PRESSAVG: 3978000 -72.1196 -35.3216 -51.9719 -35.3217 22.5779 -2.42664 -51.9719 -2.42672 37.4145 GPRESSAVG: 3978000 -73.0499 -34.7791 -50.739 -35.1646 21.7479 -1.68187 -52.4962 -3.10094 38.5952 TIMING: 3978000 CPU: 11521.4, 0.00288173/step Wall: 11521.4, 0.00288173/step, 0.818092 hours remaining, 210.984375 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: 3978000 732.8004 2010.1543 1948.2195 118.8911 -205913.8285 17370.2344 0.0000 0.0000 34388.3669 -149345.1620 300.3222 -183733.5289 -149241.5830 298.7633 -143.3458 -117.4810 556924.8826 -4.0424 -4.2356 PRESSURE: 3978200 -509.069 -72.5843 -204.068 -72.5837 131.415 26.468 -204.067 26.4697 35.3637 GPRESSURE: 3978200 -444.162 -109.521 -220.405 -84.9143 114.281 15.1512 -194.989 -17.1616 77.373 PRESSAVG: 3978200 7.6058 -64.7234 -41.9088 -64.7235 -35.4967 10.0268 -41.9087 10.0268 -4.91445 GPRESSAVG: 3978200 10.4564 -64.4875 -40.3279 -64.8742 -37.1212 8.18604 -41.5238 9.91543 -5.62286 TIMING: 3978200 CPU: 11521.9, 0.00288435/step Wall: 11521.9, 0.00288435/step, 0.818676 hours remaining, 210.984375 MB of memory in use. ENERGY: 3978200 773.5803 2082.3173 1962.1992 103.4429 -206272.3104 17727.9706 0.0000 0.0000 34106.3638 -149516.4363 297.8594 -183622.8002 -149420.5367 299.1466 -114.0968 -84.1695 556927.8013 -10.9351 -10.7626 PRESSURE: 3978400 80.554 0.51243 -69.8192 0.511088 -320.545 101.864 -69.819 101.866 -189.101 GPRESSURE: 3978400 93.8561 29.7229 -49.6788 -0.931935 -245.501 168.541 -80.0721 41.5419 -175.629 PRESSAVG: 3978400 5.16564 16.1358 -95.1234 16.1358 -31.0425 48.7475 -95.1235 48.7473 51.0658 GPRESSAVG: 3978400 2.50105 16.8203 -95.8288 16.4708 -29.2524 49.4411 -93.7981 48.4125 51.9189 TIMING: 3978400 CPU: 11522.5, 0.00289188/step Wall: 11522.5, 0.00289188/step, 0.820651 hours remaining, 210.984375 MB of memory in use. ENERGY: 3978400 739.5443 2082.0172 1962.1865 105.1629 -206553.0471 17881.6850 0.0000 0.0000 34105.2373 -149677.2140 297.8495 -183782.4512 -149578.3022 298.4607 -143.0306 -109.0911 557306.4870 8.3963 8.3892 PRESSURE: 3978600 32.6269 34.8904 111.987 34.8905 144.673 -36.0289 111.988 -36.0285 166.373 GPRESSURE: 3978600 98.9684 21.6768 108.377 -24.7137 80.1338 2.36508 35.2656 -38.1377 263.938 PRESSAVG: 3978600 15.1063 6.17609 0.895766 6.17605 -36.3274 2.10484 0.895727 2.10498 18.9864 GPRESSAVG: 3978600 16.2597 5.38924 -0.723687 4.74832 -37.3541 2.3501 0.466018 2.18834 18.9107 TIMING: 3978600 CPU: 11523.1, 0.00288389/step Wall: 11523.1, 0.00288389/step, 0.818224 hours remaining, 210.984375 MB of memory in use. ENERGY: 3978600 749.6220 2067.4964 1961.5014 101.5932 -206567.1304 17997.5201 0.0000 0.0000 34137.0471 -149552.3502 298.1273 -183689.3973 -149465.2695 298.4770 114.5577 147.6801 557030.0153 -0.7449 -0.7279 PRESSURE: 3978800 226.419 151.353 101.557 151.353 -43.8278 31.3089 101.557 31.3084 -184.616 GPRESSURE: 3978800 265.33 113.235 14.5299 172.574 -9.97899 -49.5511 84.7038 69.0301 -157.39 PRESSAVG: 3978800 57.771 29.6796 11.326 29.6795 -72.38 -4.01628 11.3259 -4.01638 49.2866 GPRESSAVG: 3978800 58.53 30.9323 12.2929 28.8984 -71.379 -4.12974 10.981 -3.89761 47.8934 TIMING: 3978800 CPU: 11523.7, 0.00287062/step Wall: 11523.7, 0.00287062/step, 0.814299 hours remaining, 210.984375 MB of memory in use. ENERGY: 3978800 711.0577 2043.6082 1924.5301 114.0729 -206274.4176 17802.9697 0.0000 0.0000 34263.2844 -149414.8946 299.2298 -183678.1790 -149312.3364 298.0575 -0.6749 32.6537 557189.0015 11.5592 11.6815 PRESSURE: 3979000 151.923 186.773 -7.98952 186.774 59.8515 97.092 -7.98918 97.0914 -59.8413 GPRESSURE: 3979000 201.179 184.312 -55.9498 207.494 117.748 166.954 59.5 38.8967 -58.0292 PRESSAVG: 3979000 20.8044 26.5242 -0.838896 26.5242 28.9954 -5.70938 -0.838804 -5.7094 -85.7626 GPRESSAVG: 3979000 19.884 24.5812 0.307128 28.587 28.3009 -4.29582 -3.06557 -6.25525 -84.2969 TIMING: 3979000 CPU: 11524.2, 0.00287858/step Wall: 11524.2, 0.00287858/step, 0.816399 hours remaining, 210.984375 MB of memory in use. ENERGY: 3979000 753.5991 2089.3690 1969.0575 124.8530 -206384.5644 17866.7951 0.0000 0.0000 34296.6046 -149284.2860 299.5208 -183580.8906 -149189.1494 299.1402 50.6443 86.9660 554921.9489 -11.9876 -12.0374 PRESSURE: 3979200 417.421 131.018 -3.07931 131.019 9.30479 17.0732 -3.07956 17.0728 8.38423 GPRESSURE: 3979200 452.52 151.547 -43.3693 67.9327 42.3247 54.3791 107.36 28.9512 26.6188 PRESSAVG: 3979200 24.2144 13.8387 30.6504 13.8388 -32.0291 -25.8787 30.6504 -25.8787 29.4229 GPRESSAVG: 3979200 24.2125 13.2874 30.1369 14.0642 -31.9937 -25.5432 32.2616 -26.0589 29.2073 TIMING: 3979200 CPU: 11524.8, 0.00288567/step Wall: 11524.8, 0.00288567/step, 0.818248 hours remaining, 210.984375 MB of memory in use. ENERGY: 3979200 780.1990 2067.2900 1938.9259 118.8399 -206311.3060 17882.3010 0.0000 0.0000 34259.6135 -149264.1366 299.1977 -183523.7501 -149163.0605 299.1045 145.0366 173.8213 555810.3113 7.2028 7.1421 PRESSURE: 3979400 139.484 44.9172 175.508 44.9171 252.529 -71.8693 175.508 -71.8691 296.07 GPRESSURE: 3979400 226.94 75.4973 281.689 -31.9618 271.421 -60.4999 178.037 -64.1212 297.003 PRESSAVG: 3979400 -43.8476 0.962521 24.2868 0.962599 13.7333 -4.2943 24.2867 -4.29434 42.4309 GPRESSAVG: 3979400 -43.3895 0.923682 24.5286 0.475197 13.2891 -6.60295 24.5324 -2.41722 41.9882 TIMING: 3979400 CPU: 11525.4, 0.00286315/step Wall: 11525.4, 0.00286315/step, 0.811702 hours remaining, 210.984375 MB of memory in use. ENERGY: 3979400 711.2689 2099.5399 1947.9053 115.9822 -206449.1337 17960.6707 0.0000 0.0000 34458.9622 -149154.8045 300.9387 -183613.7667 -149052.8577 299.3985 229.3610 265.1215 554734.8768 4.1055 3.9626 PRESSURE: 3979600 -33.3855 62.7614 -95.6881 62.7604 -174.378 66.5433 -95.6893 66.5421 -85.1827 GPRESSURE: 3979600 -8.37693 72.615 -59.0788 73.9627 -128.445 85.4588 -149.477 110.534 -66.6697 PRESSAVG: 3979600 20.5188 21.5093 52.151 21.5092 3.76893 -5.79012 52.151 -5.79021 -5.11069 GPRESSAVG: 3979600 19.1352 21.26 50.9974 23.2954 5.11244 -3.01887 52.8105 -4.88773 -5.43721 TIMING: 3979600 CPU: 11526, 0.00286791/step Wall: 11526, 0.00286791/step, 0.812893 hours remaining, 210.984375 MB of memory in use. ENERGY: 3979600 744.7247 2093.9924 1966.3835 110.1070 -205961.9801 17622.3573 0.0000 0.0000 34224.8445 -149199.5708 298.8941 -183424.4153 -149099.7828 299.9201 -97.6488 -67.8305 557957.5061 6.3923 6.2701 PRESSURE: 3979800 -54.1438 -10.3892 120.482 -10.3889 69.0546 153.303 120.481 153.302 -47.7652 GPRESSURE: 3979800 2.08293 -13.2429 133.708 -64.2115 123.311 151.483 140.507 87.4863 -67.993 PRESSAVG: 3979800 0.506831 50.7997 1.72852 50.7998 35.9011 28.6233 1.72849 28.6235 -52.6691 GPRESSAVG: 3979800 0.985552 52.4344 3.07289 49.0609 34.5428 28.7853 1.11704 24.6827 -51.6589 TIMING: 3979800 CPU: 11526.5, 0.00287016/step Wall: 11526.5, 0.00287016/step, 0.813372 hours remaining, 210.984375 MB of memory in use. ENERGY: 3979800 757.5802 2061.5989 1927.7446 103.9149 -206141.3911 17805.9697 0.0000 0.0000 34325.8237 -149158.7592 299.7760 -183484.5829 -149062.9408 299.3572 -10.9514 19.1336 556859.5504 -5.4204 -5.3768 PRESSURE: 3980000 -117.184 -163.682 15.0915 -163.683 132.418 -70.3117 15.0914 -70.3101 -159.809 GPRESSURE: 3980000 -47.0106 -62.3939 16.0831 -230.117 173.394 -59.2943 -8.29718 -127.214 -177.201 PRESSAVG: 3980000 -10.7076 -0.670368 59.4123 -0.670257 29.5969 -22.2189 59.4123 -22.2188 18.0582 GPRESSAVG: 3980000 -8.76173 -0.810288 58.8617 -0.207682 27.8087 -23.4972 59.1823 -21.1953 17.8709 TIMING: 3980000 CPU: 11527.1, 0.00290425/step Wall: 11527.1, 0.00290425/step, 0.822871 hours remaining, 210.984375 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: 3980000 756.2558 2022.5100 1918.0872 114.8159 -206236.6835 17753.5233 0.0000 0.0000 34489.5647 -149181.9266 301.2059 -183671.4913 -149078.0794 299.8208 -48.1915 -16.9393 556539.3024 12.3159 12.3060 PRESSURE: 3980200 -176.827 13.7107 32.9458 13.7114 -216.733 -108.263 32.9459 -108.263 -187.509 GPRESSURE: 3980200 -194.106 -12.1981 -137.677 -26.4173 -118.149 -50.0908 148.072 -100.711 -161.569 PRESSAVG: 3980200 12.7894 6.83352 -17.8952 6.8334 -43.1727 -8.18494 -17.8953 -8.18493 31.2608 GPRESSAVG: 3980200 11.2132 3.47656 -16.8697 8.16688 -41.3452 -7.7455 -18.0624 -6.87146 30.3884 TIMING: 3980200 CPU: 11527.7, 0.00288837/step Wall: 11527.7, 0.00288837/step, 0.818212 hours remaining, 210.984375 MB of memory in use. ENERGY: 3980200 739.2654 2122.3792 1962.0065 113.7443 -205891.1667 17391.7978 0.0000 0.0000 34328.6840 -149233.2895 299.8009 -183561.9735 -149137.8554 299.8196 -193.6897 -157.9415 555801.6114 0.2925 0.0855 LDB: ============= START OF LOAD BALANCING ============== 11531.1 LDB: ============== END OF LOAD BALANCING =============== 11531.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11531.1 LDB: ============= START OF LOAD BALANCING ============== 11531.4 LDB: Largest compute 4792 load 0.023725 is 20.1% of average load 0.118043 LDB: Average compute 0.001725 is 1.5% of average load 0.118043 LDB: TIME 11531.4 LOAD: AVG 0.118043 MAX 0.177769 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.719 MB LDB: TIME 11531.4 LOAD: AVG 0.118043 MAX 0.177769 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.719 MB LDB: TIME 11531.4 LOAD: AVG 0.118043 MAX 0.177769 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.719 MB LDB: ============== END OF LOAD BALANCING =============== 11531.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11531.4 PRESSURE: 3980400 93.4444 48.7498 71.854 48.7507 6.00714 20.6845 71.8548 20.6853 -109.927 GPRESSURE: 3980400 111.023 11.2056 142.142 50.9389 43.094 -30.4128 -114.038 19.7517 -57.4682 PRESSAVG: 3980400 26.1176 25.1166 -41.1485 25.1167 -28.4834 -31.4228 -41.1485 -31.4228 31.5588 GPRESSAVG: 3980400 24.9137 26.8057 -40.7493 23.0896 -28.922 -32.0685 -42.363 -30.5094 32.587 TIMING: 3980400 CPU: 11528.3, 0.00293857/step Wall: 11528.3, 0.00293857/step, 0.832268 hours remaining, 211.632812 MB of memory in use. ENERGY: 3980400 698.3531 2094.3954 1960.8816 129.4935 -206027.6038 17613.0115 0.0000 0.0000 34265.6796 -149265.7892 299.2507 -183531.4688 -149170.5088 300.4123 -3.4917 32.2164 554765.3772 9.7310 9.5262 PRESSURE: 3980600 -53.9847 66.5122 -58.9837 66.5111 64.1626 160.708 -58.9853 160.707 57.8369 GPRESSURE: 3980600 23.2931 49.1332 -57.4 51.5976 82.7288 224.07 -93.4088 138.633 69.2028 PRESSAVG: 3980600 42.055 -17.1066 -45.1248 -17.1066 -106 -2.81876 -45.1248 -2.81874 33.6613 GPRESSAVG: 3980600 42.4957 -18.0766 -46.0284 -17.466 -106.101 -3.23244 -44.1714 -1.87213 33.0077 TIMING: 3980600 CPU: 11528.9, 0.00288263/step Wall: 11528.9, 0.00288263/step, 0.816264 hours remaining, 211.835938 MB of memory in use. ENERGY: 3980600 757.7976 2126.3524 1962.6896 120.1774 -206463.6602 17865.6824 0.0000 0.0000 34154.8002 -149476.1606 298.2824 -183630.9607 -149379.9766 299.5619 22.6716 58.4082 555335.5821 -10.0945 -10.1991 PRESSURE: 3980800 -397.662 -40.2555 16.0054 -40.2559 -84.5873 45.6209 16.0055 45.6218 106.218 GPRESSURE: 3980800 -397.18 5.40633 17.0027 -76.5119 -6.82044 28.768 -19.8735 1.69777 127.718 PRESSAVG: 3980800 -31.7928 -57.51 16.0656 -57.51 41.8067 6.89558 16.0656 6.89552 27.9797 GPRESSAVG: 3980800 -32.0554 -55.163 14.1924 -58.4696 41.3582 7.64149 18.5632 4.15868 28.4337 TIMING: 3980800 CPU: 11529.4, 0.00289495/step Wall: 11529.4, 0.00289495/step, 0.819593 hours remaining, 211.835938 MB of memory in use. ENERGY: 3980800 705.1051 2096.7560 1940.8168 99.7396 -206194.2063 17489.0453 0.0000 0.0000 34527.8169 -149334.9266 301.5400 -183862.7435 -149233.7977 299.0160 -125.3440 -92.0941 556690.9407 12.6645 12.5788 PRESSURE: 3981000 -236.158 -105.965 -90.8755 -105.965 -335.188 27.3747 -90.8752 27.3761 -146.574 GPRESSURE: 3981000 -246.612 -69.9474 -6.36107 -78.4193 -278.451 8.51225 -164.495 108.271 -92.0657 PRESSAVG: 3981000 -81.0651 -41.4516 -7.47452 -41.4517 60.9771 19.9127 -7.47446 19.9128 34.797 GPRESSAVG: 3981000 -81.3252 -41.5832 -4.07223 -39.2926 60.935 20.4652 -10.1818 20.3265 34.7998 TIMING: 3981000 CPU: 11530, 0.00289114/step Wall: 11530, 0.00289114/step, 0.818354 hours remaining, 211.835938 MB of memory in use. ENERGY: 3981000 787.6365 2147.4837 1944.0521 109.2930 -206011.3792 17468.0273 0.0000 0.0000 34141.5842 -149413.3024 298.1669 -183554.8866 -149311.7260 299.7202 -239.3065 -205.7095 556594.2692 4.9030 4.8032 PRESSURE: 3981200 -95.9174 28.8309 -19.1804 28.8322 170.735 -39.6877 -19.1794 -39.688 -36.9686 GPRESSURE: 3981200 -66.6076 67.0133 -12.6418 -0.559981 170.376 -42.2384 24.1375 -49.0845 27.3478 PRESSAVG: 3981200 -112.115 -0.165902 15.0757 -0.165936 20.1385 8.49843 15.0757 8.49838 66.0087 GPRESSAVG: 3981200 -111.01 1.16105 13.583 -1.36709 20.1421 9.42054 15.3886 8.7386 64.4519 TIMING: 3981200 CPU: 11530.6, 0.00289591/step Wall: 11530.6, 0.00289591/step, 0.819542 hours remaining, 211.835938 MB of memory in use. ENERGY: 3981200 721.1761 2103.6057 1961.3868 110.0294 -206442.5610 17745.1030 0.0000 0.0000 34307.3095 -149493.9504 299.6143 -183801.2600 -149405.8786 299.1430 12.6163 43.7053 555429.2151 -8.6558 -8.8052 PRESSURE: 3981400 17.9894 20.2091 181.686 20.2085 -10.0017 -12.2891 181.687 -12.289 -170.359 GPRESSURE: 3981400 -30.6231 75.0664 144.831 1.29483 28.9856 18.626 109.28 -25.2138 -81.7887 PRESSAVG: 3981400 60.965 -32.2282 2.57061 -32.2281 -4.56285 5.60187 2.57064 5.60178 -10.162 GPRESSAVG: 3981400 60.5491 -34.4442 0.411713 -31.7357 -4.7866 3.7187 5.24986 6.18691 -9.97664 TIMING: 3981400 CPU: 11531.2, 0.00289551/step Wall: 11531.2, 0.00289551/step, 0.819269 hours remaining, 211.835938 MB of memory in use. ENERGY: 3981400 708.9198 2103.1313 1968.3988 104.5780 -206462.9855 17736.4487 0.0000 0.0000 34133.7675 -149707.7414 298.0987 -183841.5089 -149609.0708 298.7871 -54.1237 -27.8087 557702.7458 15.4134 15.2620 PRESSURE: 3981600 144.252 208.844 -85.8768 208.844 69.2351 7.3266 -85.8767 7.32676 -19.6781 GPRESSURE: 3981600 215.376 188.2 -31.2131 146.952 38.8738 95.3781 -95.8505 -10.1488 50.9888 PRESSAVG: 3981600 18.7697 -8.90346 5.95596 -8.90346 17.9236 61.1948 5.95594 61.1949 -44.3817 GPRESSAVG: 3981600 18.0098 -9.07649 10.4346 -8.69062 17.8369 62.9013 1.20936 59.8026 -44.1223 TIMING: 3981600 CPU: 11531.8, 0.00289264/step Wall: 11531.8, 0.00289264/step, 0.818297 hours remaining, 211.835938 MB of memory in use. ENERGY: 3981600 720.1163 2099.5237 1951.1963 121.9165 -206633.5363 17895.7216 0.0000 0.0000 34214.2078 -149630.8542 298.8012 -183845.0619 -149540.7081 298.3441 64.6030 101.7462 554752.9410 -2.5628 -2.7586 PRESSURE: 3981800 20.7919 -94.8955 57.4939 -94.895 60.5933 13.1793 57.4949 13.1792 -13.0868 GPRESSURE: 3981800 75.0438 -98.3499 50.263 -166.414 52.2602 8.59691 61.4221 -48.9738 40.0724 PRESSAVG: 3981800 -45.3289 -10.3174 34.9078 -10.3174 33.601 32.5839 34.9078 32.584 28.2942 GPRESSAVG: 3981800 -45.5136 -9.08303 34.6014 -10.9558 34.4355 31.3709 36.5736 32.7219 28.4181 TIMING: 3981800 CPU: 11532.3, 0.00290129/step Wall: 11532.3, 0.00290129/step, 0.82058 hours remaining, 211.835938 MB of memory in use. ENERGY: 3981800 706.5555 2080.6213 1935.3468 105.8109 -206380.4771 17665.5612 0.0000 0.0000 34065.9920 -149820.5895 297.5068 -183886.5814 -149722.6803 298.1235 22.7661 55.7921 555173.1810 5.5221 5.7800 PRESSURE: 3982000 2.1211 -72.8528 -93.1881 -72.8509 153.477 -33.8609 -93.1877 -33.8586 -288.498 GPRESSURE: 3982000 81.6507 -64.5083 -127.215 -36.4721 165.433 -61.2124 -68.3044 39.4526 -294.57 PRESSAVG: 3982000 23.6078 -98.4519 -6.63119 -98.4518 1.51632 15.6264 -6.63107 15.6264 -29.5362 GPRESSAVG: 3982000 24.401 -98.352 -8.90895 -97.6336 0.697033 16.3242 -4.91995 16.6321 -29.5655 TIMING: 3982000 CPU: 11532.9, 0.00289965/step Wall: 11532.9, 0.00289965/step, 0.819957 hours remaining, 211.835938 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: 3982000 740.0228 2070.6971 1945.4541 113.3356 -206436.7983 17696.3140 0.0000 0.0000 34025.9202 -149845.0546 297.1568 -183870.9748 -149756.0170 297.0096 -44.3001 -15.8291 556387.5078 -1.4707 -1.4892 PRESSURE: 3982200 6.88887 9.26849 -30.2294 9.2683 -359.019 -151.251 -30.2285 -151.252 -161.291 GPRESSURE: 3982200 4.00048 19.7269 -52.2761 -34.8067 -312.504 -163.454 -69.2649 -151.987 -101.183 PRESSAVG: 3982200 83.209 -12.4043 -40.0119 -12.4042 19.629 -1.75027 -40.0119 -1.75035 -62.4555 GPRESSAVG: 3982200 83.5088 -13.2582 -37.3915 -12.2386 20.4527 -3.01888 -41.1329 -1.185 -63.5794 TIMING: 3982200 CPU: 11533.5, 0.00288085/step Wall: 11533.5, 0.00288085/step, 0.81448 hours remaining, 211.835938 MB of memory in use. ENERGY: 3982200 743.6855 2071.9178 1925.2400 121.7114 -206259.7803 17608.8160 0.0000 0.0000 34130.4843 -149657.9253 298.0700 -183788.4096 -149557.1204 298.0063 -171.1402 -136.5620 557909.1570 13.4609 13.4607 PRESSURE: 3982400 32.1213 -12.9735 -127.639 -12.9739 25.2532 -56.4029 -127.639 -56.4042 -151.627 GPRESSURE: 3982400 50.3756 -53.4289 -126.441 19.5523 13.1471 -97.3081 -163.61 -58.2974 -49.1887 PRESSAVG: 3982400 24.0455 37.3958 -28.1708 37.3958 56.3494 -0.232763 -28.1708 -0.232785 -64.7925 GPRESSAVG: 3982400 23.1396 38.3203 -29.0411 35.7234 55.9143 -0.0529085 -27.5315 -0.34898 -63.4181 TIMING: 3982400 CPU: 11534.1, 0.00287778/step Wall: 11534.1, 0.00287778/step, 0.813454 hours remaining, 211.835938 MB of memory in use. ENERGY: 3982400 718.8786 2110.5369 1941.2646 103.0543 -206272.6674 17667.4368 0.0000 0.0000 34217.6365 -149513.8597 298.8311 -183731.4962 -149416.5128 298.4375 -31.4176 4.7780 556826.5010 5.2008 5.2119 PRESSURE: 3982600 316.22 -10.6251 57.879 -10.6237 32.9268 17.7901 57.8779 17.7896 128.218 GPRESSURE: 3982600 355.428 -91.0694 91.5523 58.7317 96.54 53.6899 101.659 99.5399 133.46 PRESSAVG: 3982600 2.90503 -26.585 1.03407 -26.585 -4.20665 13.5556 1.03397 13.5557 -22.584 GPRESSAVG: 3982600 3.77916 -28.6707 0.226178 -25.1218 -5.46394 14.335 -0.258088 12.6911 -22.8304 TIMING: 3982600 CPU: 11534.6, 0.00287498/step Wall: 11534.6, 0.00287498/step, 0.812501 hours remaining, 211.835938 MB of memory in use. ENERGY: 3982600 737.9360 2066.9934 1926.9792 102.3116 -206662.8659 18158.4911 0.0000 0.0000 34081.6185 -149588.5361 297.6433 -183670.1546 -149499.0232 298.1064 159.1215 195.1426 555890.6712 -7.9619 -8.1717 PRESSURE: 3982800 16.6155 -129.345 -120.939 -129.348 -206.971 -94.1898 -120.94 -94.1906 -159.654 GPRESSURE: 3982800 46.6979 -134.326 -96.7534 -130.972 -116.643 -63.3327 -150.65 -51.6681 -174.349 PRESSAVG: 3982800 37.7621 11.336 -49.5911 11.336 26.724 -35.9323 -49.5912 -35.9323 -29.8543 GPRESSAVG: 3982800 37.5451 11.4791 -47.0871 10.7363 26.1106 -36.0371 -48.719 -37.0694 -29.1934 TIMING: 3982800 CPU: 11535.2, 0.00288044/step Wall: 11535.2, 0.00288044/step, 0.813884 hours remaining, 211.835938 MB of memory in use. ENERGY: 3982800 736.4088 2061.5827 1914.1096 110.2708 -206352.5443 17765.4106 0.0000 0.0000 34227.2518 -149537.5100 298.9151 -183764.7618 -149436.4823 298.9510 -116.6700 -81.4315 556895.1419 11.5439 11.4874 PRESSURE: 3983000 -26.0375 15.8647 31.5829 15.8662 155.179 65.9423 31.5832 65.9438 -33.0901 GPRESSURE: 3983000 -7.56708 49.0259 120.243 77.3351 148.254 46.5666 42.1254 72.9653 63.112 PRESSAVG: 3983000 43.8384 -4.55467 -12.4535 -4.55455 46.4321 25.7866 -12.4534 25.7867 -51.8143 GPRESSAVG: 3983000 43.4363 -2.65172 -13.0755 -3.3483 48.386 25.8992 -13.8047 28.5903 -53.1763 TIMING: 3983000 CPU: 11535.8, 0.00287485/step Wall: 11535.8, 0.00287485/step, 0.812145 hours remaining, 211.835938 MB of memory in use. ENERGY: 3983000 733.0587 2031.2447 1957.0123 114.4660 -206145.8530 17750.0304 0.0000 0.0000 34159.2137 -149400.8271 298.3209 -183560.0409 -149304.9183 299.3944 32.0171 67.9331 556518.7423 12.8187 12.8820 PRESSURE: 3983200 -114.75 160.193 -21.5248 160.194 -47.8957 -160.768 -21.5245 -160.768 -241.644 GPRESSURE: 3983200 -31.8557 125.921 69.7565 182.718 -32.267 -199.528 -16.8379 -131.772 -250.725 PRESSAVG: 3983200 -31.6782 -7.41198 60.7404 -7.412 38.7562 13.6575 60.7404 13.6575 -18.6032 GPRESSAVG: 3983200 -31.3442 -10.5754 60.8185 -7.32424 38.0952 11.9809 59.4298 10.6582 -17.9671 TIMING: 3983200 CPU: 11536.4, 0.00287886/step Wall: 11536.4, 0.00287886/step, 0.813119 hours remaining, 211.835938 MB of memory in use. ENERGY: 3983200 768.4732 2046.0413 1939.2762 116.4520 -206256.6344 17635.8200 0.0000 0.0000 34312.4159 -149438.1559 299.6589 -183750.5718 -149337.3807 298.5477 -134.7631 -104.9492 555815.9516 -3.8417 -3.7387 PRESSURE: 3983400 -64.2906 58.3847 149.689 58.3827 -325.722 -128.815 149.689 -128.814 -113.868 GPRESSURE: 3983400 22.463 54.1928 151.764 43.9833 -282.117 -128.12 150.869 -22.9867 -143.492 PRESSAVG: 3983400 12.1244 64.3584 15.6131 64.3584 14.43 -4.60387 15.6131 -4.60389 -65.0341 GPRESSAVG: 3983400 12.1684 67.3623 14.2412 62.5083 13.9828 -3.70606 17.2922 -1.71517 -64.7401 TIMING: 3983400 CPU: 11536.9, 0.00288713/step Wall: 11536.9, 0.00288713/step, 0.815295 hours remaining, 211.835938 MB of memory in use. ENERGY: 3983400 772.9614 2055.4067 1950.1470 117.0489 -206158.8227 17612.0930 0.0000 0.0000 34147.6116 -149503.5541 298.2196 -183651.1657 -149401.9273 298.5539 -167.9604 -134.3821 556688.5989 -12.8266 -12.8629 PRESSURE: 3983600 -86.1065 -211.469 103.623 -211.47 -103.703 58.9691 103.624 58.9685 -82.436 GPRESSURE: 3983600 -72.8301 -238.168 108.136 -215.841 -62.7724 54.8674 103.579 68.2405 -37.6058 PRESSAVG: 3983600 27.074 18.1644 19.8875 18.1643 38.3776 -5.05615 19.8875 -5.05615 -44.543 GPRESSAVG: 3983600 25.7258 18.3096 20.6717 18.4273 39.3929 -1.94338 19.1476 -7.71994 -44.6162 TIMING: 3983600 CPU: 11537.5, 0.00286529/step Wall: 11537.5, 0.00286529/step, 0.808966 hours remaining, 211.835938 MB of memory in use. ENERGY: 3983600 763.5099 2089.3390 1934.3614 118.5134 -206385.4498 17846.9751 0.0000 0.0000 34370.9190 -149261.8321 300.1698 -183632.7511 -149166.6180 299.0070 -90.7486 -57.7361 557269.0033 6.9695 6.8342 PRESSURE: 3983800 -436.785 7.38491 172.279 7.38558 -218.044 27.939 172.28 27.9397 -297.11 GPRESSURE: 3983800 -361.872 -52.7917 193.815 41.5489 -234.4 83.162 153.332 -10.1071 -263.348 PRESSAVG: 3983800 0.334389 -40.5186 22.7544 -40.5186 25.7954 -31.8004 22.7544 -31.8004 13.4037 GPRESSAVG: 3983800 1.67182 -42.1349 21.3653 -39.0528 24.4612 -34.0693 21.5974 -30.2667 13.4322 TIMING: 3983800 CPU: 11538.1, 0.00285388/step Wall: 11538.1, 0.00285388/step, 0.805587 hours remaining, 211.835938 MB of memory in use. ENERGY: 3983800 754.6094 2016.5220 1935.8050 120.0126 -205921.5287 17422.2955 0.0000 0.0000 34146.7562 -149525.5280 298.2121 -183672.2841 -149428.7955 298.8055 -317.3130 -286.5400 557849.1384 13.1778 13.1884 PRESSURE: 3984000 -104.956 -156.752 -71.5277 -156.752 -295.894 -66.1477 -71.5295 -66.1482 -119.406 GPRESSURE: 3984000 -72.6975 -138.329 -94.4798 -181.75 -299.137 -63.7977 -70.8086 -71.8142 -43.4753 PRESSAVG: 3984000 -6.78074 -5.0688 -19.927 -5.06879 8.78319 11.3834 -19.927 11.3831 44.6356 GPRESSAVG: 3984000 -7.63083 -2.2716 -19.5508 -9.41225 9.88211 13.3471 -18.2068 8.70092 44.134 TIMING: 3984000 CPU: 11538.7, 0.0028622/step Wall: 11538.7, 0.0028622/step, 0.807775 hours remaining, 212.039062 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: 3984000 722.1146 2117.8373 1956.5404 111.1945 -206185.8672 17783.5074 0.0000 0.0000 34198.5865 -149296.0865 298.6648 -183494.6730 -149199.3721 298.9625 -173.4186 -138.4367 559530.4079 15.5460 15.4617 PRESSURE: 3984200 -11.7967 -115.339 67.0156 -115.34 27.8522 -67.439 67.015 -67.4377 -18.2476 GPRESSURE: 3984200 -52.7267 -121.381 -49.8228 -40.718 75.3553 27.7495 70.1564 -147.706 71.7011 PRESSAVG: 3984200 55.6886 -63.1015 2.87313 -63.1014 17.1638 20.5245 2.87314 20.5245 -75.7256 GPRESSAVG: 3984200 54.9057 -64.3731 5.13788 -60.7871 16.9813 18.5277 3.31773 23.6075 -75.2156 TIMING: 3984200 CPU: 11539.2, 0.00286471/step Wall: 11539.2, 0.00286471/step, 0.808325 hours remaining, 212.039062 MB of memory in use. ENERGY: 3984200 744.4981 2050.0949 1917.5708 109.7195 -206522.7744 17952.5200 0.0000 0.0000 34504.7311 -149243.6400 301.3384 -183748.3711 -149140.8498 299.3805 -0.7307 31.4432 557366.4247 -0.9577 -1.1095 LDB: ============= START OF LOAD BALANCING ============== 11542.6 LDB: ============== END OF LOAD BALANCING =============== 11542.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11542.6 LDB: ============= START OF LOAD BALANCING ============== 11542.9 LDB: Largest compute 4792 load 0.022777 is 19.3% of average load 0.118021 LDB: Average compute 0.001725 is 1.5% of average load 0.118021 LDB: TIME 11542.9 LOAD: AVG 0.118021 MAX 0.178854 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 11542.9 LOAD: AVG 0.118021 MAX 0.178854 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: TIME 11542.9 LOAD: AVG 0.118021 MAX 0.178854 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: ============== END OF LOAD BALANCING =============== 11542.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11542.9 PRESSURE: 3984400 215.204 -69.9887 -7.92959 -69.9897 160.23 -54.7375 -7.92762 -54.7363 -93.9862 GPRESSURE: 3984400 263.747 -100.339 64.0638 -22.6895 191.724 -20.1936 -95.8078 -66.4791 -75.1909 PRESSAVG: 3984400 67.191 -39.3979 -54.3163 -39.3979 27.9532 11.4923 -54.3162 11.4923 -69.9304 GPRESSAVG: 3984400 68.3698 -41.2394 -56.7063 -38.6612 27.1791 12.0354 -54.3572 9.98831 -69.8853 TIMING: 3984400 CPU: 11539.8, 0.00292034/step Wall: 11539.8, 0.00292034/step, 0.823861 hours remaining, 210.671875 MB of memory in use. ENERGY: 3984400 739.0045 2136.5180 1935.8381 109.9265 -206342.7743 17982.1983 0.0000 0.0000 34202.1691 -149237.1199 298.6960 -183439.2889 -149149.4372 299.3603 93.8159 126.7600 558094.9763 8.4046 8.5545 PRESSURE: 3984600 -41.8304 -123.952 -23.008 -123.951 -4.84081 -102.556 -23.0086 -102.555 -195.372 GPRESSURE: 3984600 -6.5952 -94.7753 -78.987 -56.552 25.9171 -79.9031 -19.0995 -120.882 -165.574 PRESSAVG: 3984600 13.5549 14.2026 14.9046 14.2027 41.3748 7.06243 14.9046 7.06246 -64.9342 GPRESSAVG: 3984600 12.9292 15.6367 15.7241 14.0458 43.0652 7.92565 15.2154 6.69051 -65.7772 TIMING: 3984600 CPU: 11540.4, 0.00288145/step Wall: 11540.4, 0.00288145/step, 0.812728 hours remaining, 210.671875 MB of memory in use. ENERGY: 3984600 724.3034 2132.1049 1948.8944 113.5617 -206150.5525 17773.1002 0.0000 0.0000 34160.7521 -149297.8359 298.3343 -183458.5880 -149204.2581 299.0414 -80.6812 -48.7506 558015.4319 -3.3348 -3.2609 PRESSURE: 3984800 -221.496 -109.396 -21.879 -109.397 -223.087 138.771 -21.8791 138.773 -243.952 GPRESSURE: 3984800 -211.81 -121.66 -135.925 -20.4979 -173.003 47.3547 50.3674 156.744 -201.946 PRESSAVG: 3984800 2.23027 -44.0928 -16.1639 -44.0927 -28.4363 -40.1663 -16.1639 -40.1663 -16.4299 GPRESSAVG: 3984800 1.56666 -44.4926 -17.4488 -43.9036 -28.264 -41.931 -16.6647 -38.2969 -16.1446 TIMING: 3984800 CPU: 11541, 0.00287827/step Wall: 11541, 0.00287827/step, 0.811672 hours remaining, 210.671875 MB of memory in use. ENERGY: 3984800 765.2899 2076.8867 1963.2155 115.1311 -205642.9640 17333.8644 0.0000 0.0000 34126.8669 -149261.7095 298.0384 -183388.5764 -149163.1611 299.3133 -229.5118 -195.5861 558310.2724 -14.2120 -14.2807 PRESSURE: 3985000 -5.79058 -14.0735 1.96429 -14.0752 -37.9045 -54.9197 1.96438 -54.919 78.4797 GPRESSURE: 3985000 26.0812 94.4513 -55.8906 -12.4015 -0.713897 -31.944 25.1575 -73.5262 95.6063 PRESSAVG: 3985000 -42.0798 -5.31175 -17.8361 -5.31177 33.1835 -18.9056 -17.8362 -18.9057 15.4885 GPRESSAVG: 3985000 -39.6535 -2.63391 -15.8222 -5.51435 31.4645 -17.0365 -17.9228 -20.8983 14.7693 TIMING: 3985000 CPU: 11541.5, 0.0028771/step Wall: 11541.5, 0.0028771/step, 0.811183 hours remaining, 210.671875 MB of memory in use. ENERGY: 3985000 738.2123 2063.3644 1942.7050 114.3210 -206143.6402 17604.1484 0.0000 0.0000 34292.2263 -149388.6628 299.4825 -183680.8891 -149287.0779 298.5633 11.5949 40.3245 556915.6306 2.1974 2.1934 PRESSURE: 3985200 -177.706 -101.963 -88.1173 -101.964 73.4688 -52.8575 -88.1175 -52.8574 8.65442 GPRESSURE: 3985200 -126.194 -107.77 -75.7429 -204.671 133.238 -72.26 -46.26 -79.7446 0.528031 PRESSAVG: 3985200 -62.6514 -24.057 -3.05869 -24.0571 -1.15898 -49.9415 -3.05868 -49.9415 25.9726 GPRESSAVG: 3985200 -63.1294 -25.2331 -2.94019 -24.151 -0.293112 -50.5459 -3.79387 -48.7892 26.3596 TIMING: 3985200 CPU: 11542.1, 0.00286371/step Wall: 11542.1, 0.00286371/step, 0.807249 hours remaining, 210.671875 MB of memory in use. ENERGY: 3985200 730.3313 2060.9489 1957.8560 131.3066 -206256.6455 17797.1298 0.0000 0.0000 34264.5858 -149314.4871 299.2412 -183579.0729 -149211.8687 299.0359 -31.8610 2.5241 557900.3975 -12.6126 -12.3543 PRESSURE: 3985400 -301.779 -151.223 5.9139 -151.224 -146.574 -32.2227 5.91373 -32.2216 101.079 GPRESSURE: 3985400 -221.676 -142.934 -3.78294 -92.5689 -129.879 -51.2982 54.0426 33.8259 98.854 PRESSAVG: 3985400 -34.8093 -96.3401 -12.6424 -96.3401 27.023 -38.7155 -12.6423 -38.7154 28.3809 GPRESSAVG: 3985400 -34.4688 -99.0873 -14.5686 -94.8486 26.0364 -41.3125 -11.7667 -38.7743 29.1491 TIMING: 3985400 CPU: 11542.7, 0.00288568/step Wall: 11542.7, 0.00288568/step, 0.81328 hours remaining, 210.671875 MB of memory in use. ENERGY: 3985400 713.2451 2040.8006 1932.2519 119.5814 -205898.1421 17559.2394 0.0000 0.0000 34268.3776 -149264.6461 299.2743 -183533.0237 -149165.2059 299.4575 -115.7581 -84.2336 557917.2605 6.8648 6.9056 PRESSURE: 3985600 -56.4481 35.2659 -87.7253 35.2656 47.4632 -8.16878 -87.7242 -8.16906 -2.4255 GPRESSURE: 3985600 23.0549 -73.9006 -97.4798 40.3825 71.4287 -12.581 -20.164 37.4104 -13.1405 PRESSAVG: 3985600 -44.0166 -58.0772 12.39 -58.0772 -20.7519 -63.7795 12.39 -63.7795 44.3822 GPRESSAVG: 3985600 -44.4419 -56.0092 12.7653 -58.1891 -19.376 -62.8885 13.4905 -63.6077 43.2268 TIMING: 3985600 CPU: 11543.3, 0.00289276/step Wall: 11543.3, 0.00289276/step, 0.815116 hours remaining, 210.671875 MB of memory in use. ENERGY: 3985600 766.8844 2038.1878 1946.0591 109.2684 -206349.1739 17830.0264 0.0000 0.0000 34181.1102 -149477.6376 298.5121 -183658.7478 -149379.2184 299.5547 -3.8035 27.1143 557088.8914 -6.7954 -6.8637 PRESSURE: 3985800 -28.1359 -11.898 -64.3001 -11.8973 -48.6993 87.2429 -64.3005 87.2416 101.195 GPRESSURE: 3985800 32.672 -69.7473 -165.899 32.8295 -21.1464 156.778 -40.7688 123.444 120.923 PRESSAVG: 3985800 27.4793 -21.6615 -39.4671 -21.6615 -15.4472 -29.4218 -39.4672 -29.4219 10.2141 GPRESSAVG: 3985800 29.8215 -24.7111 -40.0481 -20.633 -16.5792 -30.6386 -38.8729 -27.3205 9.81189 TIMING: 3985800 CPU: 11543.9, 0.00288989/step Wall: 11543.9, 0.00288989/step, 0.814146 hours remaining, 210.671875 MB of memory in use. ENERGY: 3985800 732.3178 2127.0402 1946.8513 117.8030 -206120.8014 17790.9345 0.0000 0.0000 34051.2401 -149354.6144 297.3779 -183405.8546 -149261.4711 298.7880 8.1200 44.1494 557599.2105 7.4154 7.6847 PRESSURE: 3986000 -134.975 19.5612 -86.1085 19.5606 -153.66 150.78 -86.1084 150.779 -280.975 GPRESSURE: 3986000 -91.2076 62.1391 -86.5173 18.7903 -154.736 159.093 -56.962 171.029 -229.04 PRESSAVG: 3986000 -30.8547 -63.4807 -29.4702 -63.4808 -8.77128 -10.4994 -29.4702 -10.4995 12.4704 GPRESSAVG: 3986000 -32.5775 -60.8655 -27.8977 -64.343 -8.7833 -9.05589 -30.8541 -13.8701 14.2882 TIMING: 3986000 CPU: 11544.4, 0.00289579/step Wall: 11544.4, 0.00289579/step, 0.815647 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3986000 733.9202 2075.4177 1950.9230 114.7020 -205867.0392 17592.5336 0.0000 0.0000 34334.0763 -149065.4665 299.8480 -183399.5428 -148966.7789 299.4791 -189.8698 -158.3276 557516.7595 -9.0519 -9.0242 PRESSURE: 3986200 60.3072 -120.002 28.9236 -120.001 295.018 2.35913 28.9232 2.35912 85.3069 GPRESSURE: 3986200 31.6356 -90.2404 29.9117 -115.215 330.575 47.9822 -13.9024 18.6752 192.251 PRESSAVG: 3986200 -18.4348 -22.2685 -5.98242 -22.2684 28.6677 -8.85921 -5.98253 -8.85933 18.2925 GPRESSAVG: 3986200 -18.4029 -20.4092 -6.37249 -24.9521 28.2885 -5.21694 -6.44526 -9.07161 19.0726 TIMING: 3986200 CPU: 11545, 0.00289286/step Wall: 11545, 0.00289286/step, 0.814661 hours remaining, 210.671875 MB of memory in use. ENERGY: 3986200 720.4677 2082.3109 1963.0322 104.4538 -206419.2515 17957.0381 0.0000 0.0000 34437.3819 -149154.5669 300.7502 -183591.9488 -149054.9618 299.8566 146.8774 184.8206 556545.7978 9.5084 9.6527 PRESSURE: 3986400 -31.4229 12.7245 -99.9104 12.7263 -395.631 195.195 -99.9122 195.196 -184.452 GPRESSURE: 3986400 -48.7554 86.5935 -78.7549 110.046 -279.602 187.519 -135.631 183.116 -193.405 PRESSAVG: 3986400 -17.1774 -19.2892 -2.56338 -19.2892 63.7023 10.5538 -2.56338 10.5539 12.2708 GPRESSAVG: 3986400 -17.3109 -19.9595 -1.97229 -16.1495 63.4885 8.16589 -3.55934 9.4839 11.5576 TIMING: 3986400 CPU: 11545.6, 0.00289667/step Wall: 11545.6, 0.00289667/step, 0.815574 hours remaining, 210.671875 MB of memory in use. ENERGY: 3986400 771.5403 2060.6660 1950.7761 112.4347 -205583.8805 17453.9579 0.0000 0.0000 34136.4897 -149098.0158 298.1225 -183234.5055 -148999.6220 299.9537 -203.8355 -173.9208 557340.1404 19.5986 19.2451 PRESSURE: 3986600 84.7063 -70.5501 -1.32759 -70.5501 -232.78 -73.9293 -1.32758 -73.9297 -320.498 GPRESSURE: 3986600 91.1615 -33.4404 -90.472 -162.824 -191.972 -92.3498 43.6191 -58.5324 -265.935 PRESSAVG: 3986600 -66.6706 -2.86632 -41.6082 -2.86635 -24.7906 11.1936 -41.6081 11.1936 29.6423 GPRESSAVG: 3986600 -65.6885 -5.4988 -43.647 -4.60908 -25.5013 9.06084 -39.7024 12.922 29.1353 TIMING: 3986600 CPU: 11546.2, 0.00291057/step Wall: 11546.2, 0.00291057/step, 0.819325 hours remaining, 210.671875 MB of memory in use. ENERGY: 3986600 724.4557 2102.1343 1946.3109 114.0640 -205790.2664 17555.4783 0.0000 0.0000 34621.3844 -148726.4389 302.3572 -183347.8232 -148630.4264 300.6171 -156.1907 -122.2485 558488.8219 -20.6063 -20.6848 PRESSURE: 3986800 -52.9432 -9.13764 67.4892 -9.13658 273.948 50.0412 67.4896 50.0434 112.591 GPRESSURE: 3986800 41.7354 31.5958 -22.0816 -41.5142 286.088 77.6748 111.49 20.9332 104.161 PRESSAVG: 3986800 -24.9205 -0.0242189 26.07 -0.0242938 9.16129 16.6407 26.0699 16.6407 11.6963 GPRESSAVG: 3986800 -26.2341 1.08475 28.0415 0.58807 10.4885 19.8993 25.4578 16.8154 12.0403 TIMING: 3986800 CPU: 11546.7, 0.00288535/step Wall: 11546.7, 0.00288535/step, 0.812067 hours remaining, 210.671875 MB of memory in use. ENERGY: 3986800 747.3042 2058.9675 1929.2576 109.9266 -205824.3997 17817.2348 0.0000 0.0000 34533.8274 -148627.8816 301.5925 -183161.7090 -148529.7293 301.2047 111.1984 143.9950 558234.1641 -1.3543 -1.2351 PRESSURE: 3987000 162.485 87.9999 -67.8852 87.9994 -16.1322 48.6064 -67.885 48.605 60.0189 GPRESSURE: 3987000 134.127 80.4238 39.4083 45.8579 44.3054 -18.5951 -142.404 30.8871 107.907 PRESSAVG: 3987000 -6.34556 -5.54139 -12.6735 -5.54137 29.2253 10.79 -12.6734 10.79 38.1706 GPRESSAVG: 3987000 -6.01956 -5.34548 -13.6173 -3.52863 29.0952 6.2686 -12.7697 11.1645 37.8322 TIMING: 3987000 CPU: 11547.3, 0.00287926/step Wall: 11547.3, 0.00287926/step, 0.810193 hours remaining, 210.671875 MB of memory in use. ENERGY: 3987000 736.6395 2024.9406 1929.7534 123.3775 -205488.0891 17560.0078 0.0000 0.0000 34378.0222 -148735.3481 300.2318 -183113.3703 -148634.8287 300.7198 68.7906 95.4464 558707.9043 20.3501 20.3026 PRESSURE: 3987200 86.1961 95.4008 -65.2374 95.4002 59.5027 -71.6314 -65.2356 -71.6301 0.732764 GPRESSURE: 3987200 86.4269 65.2831 -25.9284 142.789 96.8354 22.4019 -91.8423 16.8461 66.8077 PRESSAVG: 3987200 18.7403 38.2417 33.2631 38.2417 -5.21009 5.81453 33.2631 5.8146 -17.1332 GPRESSAVG: 3987200 19.0218 38.8468 30.6332 36.4997 -5.89337 10.0547 36.2539 2.99319 -16.5566 TIMING: 3987200 CPU: 11547.9, 0.00289456/step Wall: 11547.9, 0.00289456/step, 0.814336 hours remaining, 210.671875 MB of memory in use. ENERGY: 3987200 732.1436 2031.3560 1937.6509 106.2439 -205519.2685 17586.8738 0.0000 0.0000 34417.4795 -148707.5209 300.5764 -183125.0003 -148611.3999 300.5518 48.8105 83.3566 558634.1017 -1.2010 -1.1427 PRESSURE: 3987400 -108.506 -89.8837 159.348 -89.8835 -3.82892 24.5995 159.348 24.5987 -27.087 GPRESSURE: 3987400 -70.9773 -49.1736 194.636 -49.8567 31.8393 -21.1751 131.421 76.0864 3.193 PRESSAVG: 3987400 -18.7811 6.29635 -24.0067 6.29627 11.7026 -30.9394 -24.0066 -30.9394 -7.82809 GPRESSAVG: 3987400 -19.5811 6.73994 -21.3415 6.23622 12.4613 -33.3309 -27.0305 -27.6205 -7.92553 TIMING: 3987400 CPU: 11548.5, 0.00289145/step Wall: 11548.5, 0.00289145/step, 0.813299 hours remaining, 210.671875 MB of memory in use. ENERGY: 3987400 752.5985 2065.9254 1967.0696 104.5684 -205530.1721 17598.6830 0.0000 0.0000 34460.8898 -148580.4375 300.9555 -183041.3272 -148490.1876 300.5798 -46.4739 -11.9817 559215.7580 -4.9689 -5.0151 PRESSURE: 3987600 144.76 -3.99755 62.8552 -3.99775 -213.999 16.05 62.8569 16.0499 -257.325 GPRESSURE: 3987600 174.568 -78.1062 40.1056 89.1433 -213.148 18.9388 27.1127 60.5403 -181.989 PRESSAVG: 3987600 14.27 -8.63268 36.9896 -8.63269 44.2527 17.033 36.9896 17.0329 -79.2514 GPRESSAVG: 3987600 13.7564 -8.8667 34.1125 -7.44641 44.7954 17.3398 39.2281 14.2821 -78.9197 TIMING: 3987600 CPU: 11549.1, 0.00286152/step Wall: 11549.1, 0.00286152/step, 0.804722 hours remaining, 210.671875 MB of memory in use. ENERGY: 3987600 747.1885 2070.0264 1974.9693 117.9506 -205681.0943 17701.6133 0.0000 0.0000 34423.8260 -148645.5203 300.6318 -183069.3463 -148544.9575 301.0697 -108.8548 -73.5229 559116.9538 -6.9096 -6.7893 PRESSURE: 3987800 -66.0438 -185.932 -1.54577 -185.932 122.671 69.073 -1.5461 69.072 40.4227 GPRESSURE: 3987800 -8.7773 -103.415 -53.8341 -179.169 166.458 26.5494 -31.3386 22.9953 39.0962 PRESSAVG: 3987800 38.8521 22.0535 -24.5142 22.0535 18.9544 7.10733 -24.5143 7.10717 -61.1145 GPRESSAVG: 3987800 39.8481 22.4649 -20.8904 21.2878 18.4944 7.65452 -27.2974 8.69523 -61.5248 TIMING: 3987800 CPU: 11549.6, 0.00287127/step Wall: 11549.6, 0.00287127/step, 0.807305 hours remaining, 210.671875 MB of memory in use. ENERGY: 3987800 737.6968 2092.9557 1943.3000 105.1321 -206082.1010 17932.0979 0.0000 0.0000 34547.8352 -148723.0833 301.7148 -183270.9185 -148621.4474 301.0432 32.3500 65.5925 557330.0723 -1.1027 -1.0608 PRESSURE: 3988000 -93.9839 -71.6901 52.0869 -71.6899 -61.0516 -177.746 52.0878 -177.745 130.831 GPRESSURE: 3988000 17.6868 -120.171 68.1448 -212.699 -76.6546 -185.993 135.225 -43.5577 146.203 PRESSAVG: 3988000 0.915022 6.08773 13.8328 6.08779 40.717 59.8269 13.8328 59.827 -6.78458 GPRESSAVG: 3988000 0.519901 5.7843 12.634 5.43757 39.8614 58.9887 16.3103 60.8854 -5.09531 TIMING: 3988000 CPU: 11550.2, 0.00285892/step Wall: 11550.2, 0.00285892/step, 0.803675 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3988000 750.4234 2090.6814 1974.7146 104.6346 -205416.6216 17679.9993 0.0000 0.0000 34349.5556 -148466.6127 299.9832 -182816.1683 -148370.4670 302.3115 -8.0680 29.0785 558985.9831 11.6158 11.7620 PRESSURE: 3988200 -287.398 18.3863 68.8002 18.3867 -159.836 -17.2065 68.8002 -17.2063 168.006 GPRESSURE: 3988200 -249.033 -88.6993 62.6917 140.21 -136.35 28.948 -48.6811 8.14422 207.806 PRESSAVG: 3988200 22.7107 -22.7478 6.7904 -22.7479 -20.4506 15.9687 6.79033 15.9686 -59.1359 GPRESSAVG: 3988200 23.4027 -21.4397 5.81129 -22.6345 -18.9905 16.0046 7.29294 17.1663 -61.0655 TIMING: 3988200 CPU: 11550.8, 0.00287735/step Wall: 11550.8, 0.00287735/step, 0.808696 hours remaining, 210.671875 MB of memory in use. ENERGY: 3988200 724.5711 2140.5850 1948.5372 113.8208 -205440.0240 17535.2199 0.0000 0.0000 34346.7617 -148630.5284 299.9588 -182977.2901 -148536.9902 301.0652 -93.0758 -59.1921 559118.7278 -18.9586 -18.8844 LDB: ============= START OF LOAD BALANCING ============== 11554.2 LDB: ============== END OF LOAD BALANCING =============== 11554.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11554.2 LDB: ============= START OF LOAD BALANCING ============== 11554.4 LDB: Largest compute 4773 load 0.023548 is 19.9% of average load 0.118116 LDB: Average compute 0.001731 is 1.5% of average load 0.118116 LDB: TIME 11554.5 LOAD: AVG 0.118116 MAX 0.180073 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.727 MB LDB: TIME 11554.5 LOAD: AVG 0.118116 MAX 0.180073 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.73 MB LDB: TIME 11554.5 LOAD: AVG 0.118116 MAX 0.180073 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.73 MB LDB: ============== END OF LOAD BALANCING =============== 11554.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11554.5 PRESSURE: 3988400 238.662 -25.7654 -20.3198 -25.7663 -254.952 -221.544 -20.3183 -221.543 267.567 GPRESSURE: 3988400 215.942 -44.3504 18.5568 -74.4304 -178.731 -203.741 -22.8047 -233.284 318.938 PRESSAVG: 3988400 50.4024 -13.3609 31.377 -13.361 -74.9291 -42.9912 31.3769 -42.9911 44.5032 GPRESSAVG: 3988400 49.5733 -15.1468 32.0621 -12.6524 -74.6224 -43.6956 30.0544 -42.8297 44.7584 TIMING: 3988400 CPU: 11551.4, 0.00294511/step Wall: 11551.4, 0.00294511/step, 0.827575 hours remaining, 211.312500 MB of memory in use. ENERGY: 3988400 738.8268 2034.5773 1957.4713 113.1241 -206082.8767 18057.9698 0.0000 0.0000 34562.6779 -148618.2294 301.8445 -183180.9073 -148518.8847 301.2182 83.7590 118.7163 557303.6920 6.6588 6.5697 PRESSURE: 3988600 -112.31 64.988 -59.1223 64.986 -255.611 218.611 -59.1215 218.611 -28.8568 GPRESSURE: 3988600 -39.6524 68.5844 -33.1918 68.0017 -220.352 134.219 -50.1054 234.371 -23.0938 PRESSAVG: 3988600 40.7772 2.27343 -3.43589 2.27343 3.72037 87.9365 -3.43586 87.9365 0.503907 GPRESSAVG: 3988600 39.8593 2.59972 -3.90544 2.52324 2.94557 89.2679 -1.55342 86.5916 1.69827 TIMING: 3988600 CPU: 11551.9, 0.00289013/step Wall: 11551.9, 0.00289013/step, 0.811966 hours remaining, 211.312500 MB of memory in use. ENERGY: 3988600 724.4220 2114.8940 1974.1692 126.6871 -205898.6701 17493.6150 0.0000 0.0000 34525.3281 -148939.5547 301.5183 -183464.8828 -148834.5822 300.9281 -132.2592 -94.3660 557004.9244 15.0005 14.8344 PRESSURE: 3988800 190.716 -55.6298 103.271 -55.6313 264.946 -78.0249 103.272 -78.0247 161.918 GPRESSURE: 3988800 199.601 29.2764 105.372 -60.353 293.068 -15.8391 68.3886 -89.1976 218.386 PRESSAVG: 3988800 5.62808 -32.1733 -25.2039 -32.1734 -25.1257 77.6547 -25.204 77.6547 -22.0367 GPRESSAVG: 3988800 5.9715 -33.3187 -25.3307 -30.41 -24.6778 76.4992 -27.2455 79.4644 -22.8358 TIMING: 3988800 CPU: 11552.5, 0.0028707/step Wall: 11552.5, 0.0028707/step, 0.806349 hours remaining, 211.312500 MB of memory in use. ENERGY: 3988800 720.7669 2107.7117 1954.1275 96.6541 -206877.1911 18356.7500 0.0000 0.0000 34653.9656 -148987.2152 302.6417 -183641.1809 -148881.6613 300.4144 205.8602 237.0181 557805.3898 -13.8448 -13.8474 PRESSURE: 3989000 45.3778 45.9248 -23.1728 45.9252 293.782 147.208 -23.1718 147.207 37.134 GPRESSURE: 3989000 68.6129 51.7905 54.9719 -18.2278 305.187 148.377 -106.476 184.396 97.3515 PRESSAVG: 3989000 -39.0302 -30.7384 -2.10327 -30.7384 35.6685 77.8628 -2.10331 77.8627 0.10863 GPRESSAVG: 3989000 -38.958 -28.6195 -1.61506 -34.1784 35.2055 78.7282 -1.23646 74.9936 0.536921 TIMING: 3989000 CPU: 11553.1, 0.00287436/step Wall: 11553.1, 0.00287436/step, 0.807217 hours remaining, 211.312500 MB of memory in use. ENERGY: 3989000 714.6765 2071.3887 1976.8463 125.8180 -206243.3480 17901.6287 0.0000 0.0000 34250.5271 -149202.4628 299.1184 -183452.9899 -149113.4364 300.5087 125.4312 157.0506 557731.1771 -1.0844 -1.0719 PRESSURE: 3989200 -271.06 133.186 -58.2673 133.185 -39.0422 -69.3289 -58.2671 -69.3291 -34.1349 GPRESSURE: 3989200 -158.531 152.994 -81.7816 49.7832 -32.8879 -61.4086 -9.63261 8.16004 -53.322 PRESSAVG: 3989200 -68.006 -21.1647 -33.5013 -21.1647 72.0597 30.0338 -33.5013 30.0338 -37.944 GPRESSAVG: 3989200 -67.6519 -22.8105 -34.1161 -19.0502 72.4581 30.8719 -33.3495 31.1423 -38.7175 TIMING: 3989200 CPU: 11553.7, 0.00288475/step Wall: 11553.7, 0.00288475/step, 0.809973 hours remaining, 211.312500 MB of memory in use. ENERGY: 3989200 715.2903 2085.3329 1909.0145 112.0256 -205925.4640 17602.3983 0.0000 0.0000 34182.6862 -149318.7162 298.5259 -183501.4024 -149220.8625 299.3944 -114.7457 -81.5804 556732.4649 -11.2968 -11.3038 PRESSURE: 3989400 -49.5709 -27.1808 1.31599 -27.1815 -80.9099 105.295 1.31657 105.294 -160.466 GPRESSURE: 3989400 -37.5702 -35.2806 12.7599 -51.1212 -78.7116 114.368 -77.8327 109.949 -74.1931 PRESSAVG: 3989400 -16.5409 5.21389 2.16682 5.21389 43.0746 18.9953 2.16682 18.9951 -29.8548 GPRESSAVG: 3989400 -16.2774 6.93629 3.02685 4.69799 42.8323 17.8626 0.344821 18.3521 -29.1667 TIMING: 3989400 CPU: 11554.2, 0.00287864/step Wall: 11554.2, 0.00287864/step, 0.808099 hours remaining, 211.312500 MB of memory in use. ENERGY: 3989400 743.4834 2047.4917 1968.3854 124.4692 -206443.9153 17670.5563 0.0000 0.0000 34569.7434 -149319.7859 301.9062 -183889.5292 -149215.8121 299.0976 -96.9823 -63.4917 554336.2733 -1.1070 -0.8706 PRESSURE: 3989600 35.5342 -45.8149 15.648 -45.8144 -263.22 37.1942 15.6493 37.1944 -244.139 GPRESSURE: 3989600 60.6042 -119.029 -32.4874 1.34125 -249.817 102.644 24.897 -36.8319 -188.503 PRESSAVG: 3989600 47.359 -40.3489 -1.55706 -40.3489 -62.9894 13.2599 -1.55702 13.2599 19.8826 GPRESSAVG: 3989600 48.063 -41.6358 -0.469922 -39.7669 -63.1561 13.9231 -1.91924 13.5768 19.1531 TIMING: 3989600 CPU: 11554.8, 0.00287033/step Wall: 11554.8, 0.00287033/step, 0.805606 hours remaining, 211.312500 MB of memory in use. ENERGY: 3989600 748.3942 2085.2242 1956.1034 116.8444 -205926.2605 17532.6652 0.0000 0.0000 34215.9886 -149271.0405 298.8167 -183487.0292 -149167.5670 299.4375 -157.2752 -125.9053 557224.8221 1.4174 1.3533 PRESSURE: 3989800 -191.177 -12.3974 111.74 -12.3965 -127.657 -179.789 111.74 -179.788 67.1739 GPRESSURE: 3989800 -200.591 -36.8249 171.943 -4.24897 -89.0517 -118.316 65.3143 -250.049 139.364 PRESSAVG: 3989800 11.7288 -30.1472 17.8384 -30.1471 -4.09454 10.4134 17.8384 10.4133 1.30143 GPRESSAVG: 3989800 11.4609 -29.5036 15.3115 -30.2555 -3.36943 9.40756 20.4073 11.2525 1.77194 TIMING: 3989800 CPU: 11555.4, 0.00287316/step Wall: 11555.4, 0.00287316/step, 0.80624 hours remaining, 211.312500 MB of memory in use. ENERGY: 3989800 749.3701 2133.0422 1941.9860 100.8546 -206031.3345 17731.0613 0.0000 0.0000 34208.0829 -149166.9374 298.7477 -183375.0203 -149071.9048 299.1712 -83.8866 -50.0930 557488.7333 2.9786 3.2878 PRESSURE: 3990000 -54.0411 -15.6993 -19.651 -15.6997 -152.483 26.1463 -19.6509 26.1483 -268.558 GPRESSURE: 3990000 -0.990155 -158.439 -80.4123 52.4097 -148.359 49.0332 46.6013 88.3208 -241.963 PRESSAVG: 3990000 35.1522 -28.6644 -18.8101 -28.6643 -32.2216 -9.61792 -18.8101 -9.61785 1.56665 GPRESSAVG: 3990000 34.5666 -29.9708 -17.7356 -28.2896 -31.9534 -7.58132 -19.2423 -9.49023 1.21051 TIMING: 3990000 CPU: 11556, 0.00287739/step Wall: 11556, 0.00287739/step, 0.807268 hours remaining, 211.312500 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: 3990000 772.7422 2069.1047 1925.5449 101.8431 -205722.2090 17595.4656 0.0000 0.0000 34148.4405 -149109.0681 298.2268 -183257.5086 -149008.9175 299.7264 -158.3607 -130.4373 557261.4267 1.4991 1.2746 PRESSURE: 3990200 -64.9683 13.349 -26.8826 13.3489 13.7632 140.639 -26.8826 140.638 -118.999 GPRESSURE: 3990200 -44.7764 27.783 -0.545656 11.6357 114.731 147.303 -21.299 230.259 -139.785 PRESSAVG: 3990200 31.8876 -59.8317 -41.3847 -59.8318 27.2109 34.5569 -41.3847 34.5568 -21.7791 GPRESSAVG: 3990200 32.1902 -59.0465 -42.9072 -60.5671 26.7081 34.2618 -41.1429 33.0665 -20.8943 TIMING: 3990200 CPU: 11556.5, 0.00288385/step Wall: 11556.5, 0.00288385/step, 0.808919 hours remaining, 211.312500 MB of memory in use. ENERGY: 3990200 759.5598 2018.2324 1953.7231 125.0272 -205981.7186 17754.8038 0.0000 0.0000 34042.6139 -149327.7584 297.3026 -183370.3724 -149229.6680 299.6163 -56.7346 -23.2769 557294.5843 12.4398 12.6680 PRESSURE: 3990400 -18.4506 2.89294 -54.0008 2.89374 -128.296 -7.76992 -54.0017 -7.77033 123.86 GPRESSURE: 3990400 -14.8754 57.7958 -42.0967 -12.1538 -47.0613 14.7359 -40.0065 -9.44939 134.475 PRESSAVG: 3990400 -25.2935 -71.8306 1.39581 -71.8306 6.15533 96.5608 1.39587 96.5608 -5.3533 GPRESSAVG: 3990400 -24.9763 -71.5403 2.18959 -71.797 6.58795 94.5852 0.342326 96.4941 -6.09875 TIMING: 3990400 CPU: 11557.1, 0.00286714/step Wall: 11557.1, 0.00286714/step, 0.804073 hours remaining, 211.312500 MB of memory in use. ENERGY: 3990400 753.4211 2124.0406 1949.1386 120.2990 -206274.7163 17775.1234 0.0000 0.0000 34212.7355 -149339.9581 298.7883 -183552.6936 -149237.2620 298.9706 -7.6289 24.1794 556108.3727 -8.1638 -8.1624 PRESSURE: 3990600 106.88 41.659 -40.1566 41.6571 -174.585 129.925 -40.1563 129.924 -108.548 GPRESSURE: 3990600 139.528 68.8612 -4.30544 -3.24647 -129.588 171.315 -16.0394 163.799 -83.4262 PRESSAVG: 3990600 45.918 -69.2997 -23.3188 -69.2996 37.1137 35.7881 -23.3188 35.7881 -58.9787 GPRESSAVG: 3990600 47.1134 -69.9342 -23.7215 -68.3993 37.1933 36.0151 -23.1153 37.7536 -60.3897 TIMING: 3990600 CPU: 11557.7, 0.00286401/step Wall: 11557.7, 0.00286401/step, 0.803037 hours remaining, 211.312500 MB of memory in use. ENERGY: 3990600 754.0357 2097.3340 1960.4470 104.7138 -206448.8498 17942.2083 0.0000 0.0000 34274.2757 -149315.8353 299.3258 -183590.1110 -149225.9074 299.0647 -58.7509 -24.4954 557023.8765 8.0177 7.9724 PRESSURE: 3990800 -102.207 23.6147 21.4273 23.6148 -292.414 152.644 21.427 152.646 -142.619 GPRESSURE: 3990800 -89.1454 -4.51284 48.2237 63.6458 -259.826 65.3679 -75.757 96.3768 -95.2395 PRESSAVG: 3990800 16.6502 14.4112 -63.7594 14.4112 33.1941 49.1268 -63.7594 49.1267 -61.0197 GPRESSAVG: 3990800 15.1628 15.5394 -62.5224 14.1084 33.3542 48.2023 -64.1883 47.8988 -59.6201 TIMING: 3990800 CPU: 11558.3, 0.00287791/step Wall: 11558.3, 0.00287791/step, 0.806774 hours remaining, 211.312500 MB of memory in use. ENERGY: 3990800 716.6675 2068.9614 1946.8707 107.5089 -205792.8183 17427.1734 0.0000 0.0000 34364.9567 -149160.6798 300.1177 -183525.6365 -149070.6118 299.3303 -179.0798 -148.0703 557405.9676 -3.7251 -3.7010 PRESSURE: 3991000 185.939 57.1989 167.789 57.1993 292.547 18.5488 167.79 18.5486 272.101 GPRESSURE: 3991000 255.931 140.714 181.077 -50.2109 335.286 21.7021 97.1312 41.9548 260.489 PRESSAVG: 3991000 21.6451 -9.59022 -62.2742 -9.59024 -18.8573 18.2788 -62.2742 18.2788 2.83232 GPRESSAVG: 3991000 22.5211 -8.61821 -62.0722 -11.996 -19.3491 18.3445 -63.2187 18.2884 2.41566 TIMING: 3991000 CPU: 11558.8, 0.002884/step Wall: 11558.8, 0.002884/step, 0.808321 hours remaining, 211.312500 MB of memory in use. ENERGY: 3991000 704.9095 2071.5814 1966.1230 107.3487 -206566.9994 18134.1975 0.0000 0.0000 34229.5819 -149353.2573 298.9355 -183582.8391 -149255.4438 298.8288 250.1954 283.9023 557301.8221 1.8734 1.8626 PRESSURE: 3991200 -252.74 -11.4573 249.418 -11.4561 47.625 -64.607 249.417 -64.6063 263.95 GPRESSURE: 3991200 -146.382 -77.0728 224.012 -1.97647 42.9846 -32.5326 262.021 -94.4064 261.725 PRESSAVG: 3991200 -1.09253 19.9351 40.3054 19.9351 -55.4826 4.62464 40.3055 4.62464 44.8019 GPRESSAVG: 3991200 -1.58993 17.4529 39.1114 21.3825 -54.3789 6.50033 40.402 4.5609 44.0572 TIMING: 3991200 CPU: 11559.4, 0.00286357/step Wall: 11559.4, 0.00286357/step, 0.802437 hours remaining, 211.312500 MB of memory in use. ENERGY: 3991200 749.7250 2041.0938 1938.1760 113.5642 -206663.4786 17914.7402 0.0000 0.0000 34520.9571 -149385.2225 301.4801 -183906.1796 -149284.6829 298.3146 19.6116 52.7758 557128.4041 -3.9244 -3.9705 PRESSURE: 3991400 -235.07 113.185 -151.954 113.186 -345.3 -4.51006 -151.954 -4.509 -181.742 GPRESSURE: 3991400 -166.247 98.8229 -244.76 87.3534 -274.583 -31.0792 -106.975 -34.5701 -232.237 PRESSAVG: 3991400 -19.0435 6.30814 -79.569 6.30817 -44.8191 3.35233 -79.569 3.35241 71.9097 GPRESSAVG: 3991400 -18.463 8.86915 -78.2678 7.1793 -45.7624 1.51536 -77.673 3.2622 72.5222 TIMING: 3991400 CPU: 11560, 0.00287109/step Wall: 11560, 0.00287109/step, 0.804383 hours remaining, 211.312500 MB of memory in use. ENERGY: 3991400 751.5752 2081.4356 1938.0267 117.8701 -205565.6367 17389.2642 0.0000 0.0000 33874.8208 -149412.6440 295.8372 -183287.4649 -149315.8659 298.8530 -254.0372 -224.3558 559265.8300 2.6823 2.7656 PRESSURE: 3991600 0.926704 -67.0739 98.2856 -67.0747 108.136 -4.81914 98.2848 -4.8179 -102.649 GPRESSURE: 3991600 56.5471 -46.1617 74.4815 -120.992 83.4854 -32.0266 189.055 -44.7037 -40.6237 PRESSAVG: 3991600 38.9291 -52.941 7.42901 -52.9411 0.403558 -36.4961 7.42903 -36.496 -21.7819 GPRESSAVG: 3991600 38.3994 -55.4208 5.43337 -53.7929 0.816547 -36.1755 7.57978 -36.1777 -22.0627 TIMING: 3991600 CPU: 11560.6, 0.00286969/step Wall: 11560.6, 0.00286969/step, 0.803833 hours remaining, 211.312500 MB of memory in use. ENERGY: 3991600 712.0693 2052.4867 1922.3020 107.9707 -206054.4144 17766.1884 0.0000 0.0000 34219.9182 -149273.4791 298.8511 -183493.3973 -149179.0131 298.8634 2.1377 33.1363 556976.8171 5.8503 5.7178 PRESSURE: 3991800 -126.644 -107.049 102.327 -107.049 -77.0771 -72.0781 102.328 -72.0774 4.51252 GPRESSURE: 3991800 -59.0293 31.8428 41.1409 -115.545 -41.2664 -136.234 81.7416 -0.445552 -5.85588 PRESSAVG: 3991800 -16.4372 -12.8952 53.5327 -12.8953 -41.757 23.5227 53.5327 23.5228 72.6854 GPRESSAVG: 3991800 -16.8201 -11.6625 56.4107 -14.1958 -42.7138 21.8975 50.1986 24.7904 73.7162 TIMING: 3991800 CPU: 11561.1, 0.00287699/step Wall: 11561.1, 0.00287699/step, 0.805718 hours remaining, 211.312500 MB of memory in use. ENERGY: 3991800 738.4899 2029.6928 1919.2974 112.8028 -205728.8503 17567.3872 0.0000 0.0000 34064.7355 -149296.4447 297.4958 -183361.1801 -149200.9214 298.5565 -66.4029 -35.3839 557659.1180 4.8304 4.7274 PRESSURE: 3992000 -12.9448 -2.9711 -69.9277 -2.97068 103.109 92.8935 -69.9265 92.8927 314.961 GPRESSURE: 3992000 17.559 -77.6248 45.9598 -19.0691 170.918 93.8608 -171.458 121.299 315.868 PRESSAVG: 3992000 4.23992 -80.8706 48.7882 -80.8705 -49.6691 18.3299 48.7882 18.3299 5.92424 GPRESSAVG: 3992000 5.17924 -81.6872 49.1158 -79.2508 -49.062 19.4317 49.3281 18.9955 4.85218 TIMING: 3992000 CPU: 11561.7, 0.00287778/step Wall: 11561.7, 0.00287778/step, 0.805779 hours remaining, 211.312500 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: 3992000 725.5791 2095.8281 1956.1879 103.2536 -206083.7738 17871.0436 0.0000 0.0000 34264.2460 -149067.6355 299.2382 -183331.8815 -148970.4924 299.4772 135.0416 168.1150 556667.3269 -13.1683 -13.0102 PRESSURE: 3992200 23.26 111.352 -150.229 111.351 -211.681 -120.406 -150.229 -120.406 -186.032 GPRESSURE: 3992200 92.2867 107.692 -130.998 101.666 -198.214 -74.8206 -105.506 -163.984 -155.136 PRESSAVG: 3992200 11.1551 14.5225 -24.3344 14.5226 -21.3521 -6.55536 -24.3344 -6.55531 -7.65367 GPRESSAVG: 3992200 10.8441 14.7723 -26.0171 13.1217 -20.5847 -4.65704 -23.4307 -8.65536 -8.0017 TIMING: 3992200 CPU: 11562.3, 0.00286535/step Wall: 11562.3, 0.00286535/step, 0.802139 hours remaining, 211.312500 MB of memory in use. ENERGY: 3992200 708.6931 2008.4840 1947.8939 119.2294 -205971.2007 17566.0295 0.0000 0.0000 34460.3639 -149160.5069 300.9509 -183620.8708 -149059.3119 300.0405 -124.8177 -87.0209 558050.5096 -5.9502 -5.9141 LDB: ============= START OF LOAD BALANCING ============== 11565.7 LDB: ============== END OF LOAD BALANCING =============== 11565.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11565.7 LDB: ============= START OF LOAD BALANCING ============== 11566 LDB: Largest compute 4773 load 0.024382 is 20.7% of average load 0.118048 LDB: Average compute 0.001738 is 1.5% of average load 0.118048 LDB: TIME 11566 LOAD: AVG 0.118048 MAX 0.179035 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.855 MB LDB: TIME 11566 LOAD: AVG 0.118048 MAX 0.179035 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.062 MB LDB: TIME 11566 LOAD: AVG 0.118048 MAX 0.179035 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.062 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11566 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11566 PRESSURE: 3992400 52.9611 -46.9755 56.4669 -46.9749 4.10514 8.61828 56.4678 8.61747 -313.158 GPRESSURE: 3992400 58.6084 34.3448 18.3518 -92.1399 44.1526 54.2099 72.9484 -113.289 -270.788 PRESSAVG: 3992400 13.6163 -54.9735 10.3429 -54.9735 13.2999 52.0006 10.3428 52.0006 -53.7045 GPRESSAVG: 3992400 13.6553 -54.5572 11.2069 -55.2327 12.5413 49.8509 8.47167 52.112 -52.749 TIMING: 3992400 CPU: 11562.9, 0.00292614/step Wall: 11562.9, 0.00292614/step, 0.818994 hours remaining, 211.121094 MB of memory in use. ENERGY: 3992400 732.6156 2084.0867 1948.9605 115.6885 -206035.3063 17698.9607 0.0000 0.0000 34273.1029 -149181.8915 299.3155 -183454.9944 -149085.8504 299.7300 -85.3638 -56.0091 557899.1031 -8.9294 -8.8508 PRESSURE: 3992600 -180.481 49.8313 70.0922 49.8309 212.998 11.1474 70.0927 11.1497 14.9224 GPRESSURE: 3992600 -128.966 -43.2672 29.0126 17.2008 233.439 37.4277 57.186 30.7377 40.5077 PRESSAVG: 3992600 27.5578 -36.2186 -42.89 -36.2185 -16.72 66.1839 -42.89 66.1839 -37.8601 GPRESSAVG: 3992600 27.7335 -37.8512 -43.1103 -34.2333 -15.9582 67.6354 -42.3784 65.5458 -38.8525 TIMING: 3992600 CPU: 11563.4, 0.00288282/step Wall: 11563.4, 0.00288282/step, 0.806709 hours remaining, 211.121094 MB of memory in use. ENERGY: 3992600 706.8551 2046.5140 1956.6312 111.2783 -206047.6783 17838.4445 0.0000 0.0000 34110.9992 -149276.9560 297.8998 -183387.9552 -149175.2929 298.6853 15.8130 48.3271 557422.2016 -9.0074 -9.0258 PRESSURE: 3992800 103.818 -97.0286 -94.9619 -97.0275 -68.5352 -67.7498 -94.9625 -67.749 33.2975 GPRESSURE: 3992800 129.25 -136.711 -143.885 -94.6639 -32.8353 -97.9519 -154.796 -75.3014 68.6546 PRESSAVG: 3992800 57.4082 -28.4259 -38.0078 -28.4259 -0.325465 8.99709 -38.0078 8.99713 -40.2164 GPRESSAVG: 3992800 56.7964 -28.7641 -37.6828 -29.0501 -0.890941 8.16778 -37.3684 10.2994 -38.7616 TIMING: 3992800 CPU: 11564, 0.00289048/step Wall: 11564, 0.00289048/step, 0.808691 hours remaining, 211.121094 MB of memory in use. ENERGY: 3992800 772.0047 2081.4331 1939.1388 128.4428 -206272.8088 17935.3511 0.0000 0.0000 34304.1130 -149112.3253 299.5864 -183416.4383 -149017.0375 298.9328 22.8601 55.0232 556856.4940 5.6221 5.7146 PRESSURE: 3993000 -150.758 15.7666 39.2091 15.7676 -95.4829 115.267 39.2091 115.266 4.3455 GPRESSURE: 3993000 -141.704 15.8929 71.5465 52.4512 -68.2182 154.949 -58.887 99.2613 73.5374 PRESSAVG: 3993000 8.66071 23.2979 17.0281 23.2979 -16.4129 -12.1156 17.0281 -12.1156 -30.0016 GPRESSAVG: 3993000 8.90165 23.5876 17.2736 23.9619 -16.5548 -11.2829 15.6561 -13.4213 -30.9695 TIMING: 3993000 CPU: 11564.6, 0.00288301/step Wall: 11564.6, 0.00288301/step, 0.806441 hours remaining, 211.121094 MB of memory in use. ENERGY: 3993000 786.9356 2110.0226 1942.5445 113.7915 -206310.9847 17921.7840 0.0000 0.0000 34353.8307 -149082.0759 300.0205 -183435.9066 -148993.8605 299.3946 -80.6319 -45.4617 558284.6521 -12.5846 -12.8742 PRESSURE: 3993200 29.3605 131.438 135.516 131.439 134.041 17.885 135.514 17.8846 -43.0979 GPRESSURE: 3993200 53.6796 148.529 65.0943 193.693 130.191 -25.7429 131.127 59.9047 32.5021 PRESSAVG: 3993200 -78.907 24.2013 17.3368 24.2013 47.0101 18.0018 17.3368 18.0019 42.2062 GPRESSAVG: 3993200 -79.1832 27.0117 16.8087 23.3257 47.9556 16.8177 19.7685 20.461 41.7907 TIMING: 3993200 CPU: 11565.2, 0.0028895/step Wall: 11565.2, 0.0028895/step, 0.808096 hours remaining, 211.121094 MB of memory in use. ENERGY: 3993200 725.1815 2088.4839 1940.6653 110.8275 -205914.0784 17815.4135 0.0000 0.0000 34065.2471 -149168.2596 297.5003 -183233.5067 -149075.1010 299.5548 40.1011 72.1243 559005.4417 3.4365 3.5210 PRESSURE: 3993400 -169.333 76.6801 232.332 76.68 36.1958 177.319 232.332 177.317 -25.8438 GPRESSURE: 3993400 -125.311 32.7893 144.552 104.854 76.2397 246.043 305.477 114.224 1.11356 PRESSAVG: 3993400 12.8301 26.0697 42.4028 26.0696 -10.1837 50.5658 42.4028 50.5657 16.6142 GPRESSAVG: 3993400 14.0967 23.285 43.1339 25.3743 -11.2616 49.7129 40.3752 49.5306 16.5671 TIMING: 3993400 CPU: 11565.8, 0.00289534/step Wall: 11565.8, 0.00289534/step, 0.80957 hours remaining, 211.121094 MB of memory in use. ENERGY: 3993400 740.9707 2111.7501 1936.0859 105.7157 -206080.6357 17882.8968 0.0000 0.0000 34200.7189 -149102.4976 298.6834 -183303.2165 -149005.3819 299.8858 -52.9937 -15.9858 558908.0450 6.4202 6.4674 PRESSURE: 3993600 -84.0165 84.022 158.399 84.0232 -92.0691 -79.1045 158.397 -79.1048 -68.6433 GPRESSURE: 3993600 -94.1044 36.0232 174.155 22.1329 -99.4984 -9.58736 183.968 -158.283 45.6786 PRESSAVG: 3993600 -102.171 54.2342 69.4033 54.2342 25.6802 37.0864 69.4033 37.0865 70.8987 GPRESSAVG: 3993600 -103.765 56.2182 68.3567 55.106 27.071 37.4635 70.6237 36.5972 71.6631 TIMING: 3993600 CPU: 11566.3, 0.00287299/step Wall: 11566.3, 0.00287299/step, 0.80316 hours remaining, 211.121094 MB of memory in use. ENERGY: 3993600 794.6029 2125.4771 1951.0629 122.6072 -206139.4166 17740.9976 0.0000 0.0000 34212.8066 -149191.8624 298.7889 -183404.6690 -149103.5005 299.3453 -81.5763 -49.3081 557847.0147 -1.8641 -1.6771 PRESSURE: 3993800 -166.317 50.4014 -41.7006 50.4017 -261.506 -169.685 -41.7002 -169.685 -161.34 GPRESSURE: 3993800 -102.315 78.3376 -38.0319 96.1275 -259.497 -138.06 -51.2917 -160.984 -137.269 PRESSAVG: 3993800 36.7233 22.8494 33.254 22.8494 25.7713 -1.54473 33.2541 -1.5446 -18.3642 GPRESSAVG: 3993800 37.8085 23.427 32.0247 22.8666 24.2781 -0.801179 33.2501 -1.80375 -18.1315 TIMING: 3993800 CPU: 11566.9, 0.00285814/step Wall: 11566.9, 0.00285813/step, 0.798849 hours remaining, 211.121094 MB of memory in use. ENERGY: 3993800 732.6650 2106.2636 1959.1768 115.0762 -206118.3815 17594.4309 0.0000 0.0000 34488.6259 -149122.1431 301.1977 -183610.7690 -149020.4745 299.7388 -196.3879 -166.3603 559076.6861 14.7101 14.6517 PRESSURE: 3994000 -385.498 -142.889 45.9012 -142.889 -42.524 106.929 45.9023 106.929 -170.51 GPRESSURE: 3994000 -335.897 -250.312 38.4457 -117.603 -4.48448 68.041 41.8731 125.339 -158.185 PRESSAVG: 3994000 31.093 -52.1403 25.5535 -52.1403 -18.5268 -4.08683 25.5536 -4.08671 24.2068 GPRESSAVG: 3994000 30.7864 -53.4658 25.5023 -51.7964 -17.0034 -3.07704 27.4927 -4.63641 23.3092 TIMING: 3994000 CPU: 11567.5, 0.00287313/step Wall: 11567.5, 0.00287313/step, 0.802879 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3994000 745.1098 2059.4181 1969.9235 105.5193 -206010.4883 17624.3414 0.0000 0.0000 34329.1888 -149176.9875 299.8053 -183506.1763 -149082.9913 299.7271 -199.5106 -166.1888 558371.8495 12.2577 12.3641 PRESSURE: 3994200 -56.2163 99.1054 -28.4853 99.1044 131.05 -48.518 -28.4859 -48.5171 115.215 GPRESSURE: 3994200 52.8123 110.378 -41.9738 7.58772 101.422 -17.7816 -23.3554 -45.5183 142.438 PRESSAVG: 3994200 -33.8658 6.02585 47.8396 6.02577 10.7173 -29.4493 47.8396 -29.4493 -34.7478 GPRESSAVG: 3994200 -33.0503 5.15562 51.0929 5.08974 9.16637 -29.5918 45.765 -27.8746 -34.0839 TIMING: 3994200 CPU: 11568.1, 0.00287993/step Wall: 11568.1, 0.00287993/step, 0.804621 hours remaining, 211.121094 MB of memory in use. ENERGY: 3994200 726.6743 2116.5023 1940.1315 105.2780 -206178.6983 17795.5648 0.0000 0.0000 34353.6595 -149140.8879 300.0191 -183494.5474 -149045.5965 299.5503 63.3497 98.8910 555862.4828 -19.2988 -19.3226 PRESSURE: 3994400 41.3699 -86.0246 -31.8612 -86.0254 -48.2362 -57.5212 -31.8616 -57.5212 -148.279 GPRESSURE: 3994400 56.0266 -159.479 -77.2171 5.57661 -49.6384 -117.646 29.3286 21.1523 -62.9885 PRESSAVG: 3994400 44.6899 -0.575268 1.04068 -0.575304 -14.5377 -1.67022 1.04064 -1.6703 4.38335 GPRESSAVG: 3994400 44.44 -0.434556 -0.356776 0.625211 -13.7698 -3.1279 2.43507 -2.13278 3.88999 TIMING: 3994400 CPU: 11568.6, 0.00288512/step Wall: 11568.6, 0.00288512/step, 0.805911 hours remaining, 211.121094 MB of memory in use. ENERGY: 3994400 710.8088 2105.4568 1944.1517 116.5489 -205696.8007 17455.9114 0.0000 0.0000 34191.5005 -149172.4225 298.6029 -183363.9230 -149077.4797 299.4182 -51.7150 -18.8668 557686.7048 11.5118 11.5201 PRESSURE: 3994600 22.4391 242.232 -24.9312 242.234 -103.69 -120.116 -24.9311 -120.115 39.001 GPRESSURE: 3994600 -17.2847 266.381 -79.2409 138.224 -9.48029 -58.0862 -19.1053 -176.568 86.2626 PRESSAVG: 3994600 -2.01065 27.3983 -22.7615 27.3984 -66.9353 41.8764 -22.7615 41.8763 117.279 GPRESSAVG: 3994600 -3.69814 29.2946 -21.1863 25.7251 -66.3007 42.432 -24.0219 41.4366 118.038 TIMING: 3994600 CPU: 11569.2, 0.00285906/step Wall: 11569.2, 0.00285906/step, 0.798472 hours remaining, 211.121094 MB of memory in use. ENERGY: 3994600 746.1503 2109.4539 1959.9322 107.8997 -206509.3102 17955.7650 0.0000 0.0000 34472.5652 -149157.5437 301.0575 -183630.1089 -149064.9307 299.1560 -14.0835 19.8326 557451.4504 16.1109 16.0132 PRESSURE: 3994800 -106.646 81.2612 -23.7351 81.2614 4.22577 -19.0885 -23.7353 -19.0895 -31.5475 GPRESSURE: 3994800 -70.992 198.341 -14.4395 60.2628 45.1232 -25.0217 26.9029 -27.9694 -20.5119 PRESSAVG: 3994800 13.6826 73.5535 0.386102 73.5536 -11.0364 -19.8504 0.386076 -19.8505 -49.2325 GPRESSAVG: 3994800 13.9591 74.1943 0.177707 73.4264 -10.2471 -19.5715 2.91554 -20.7701 -50.4132 TIMING: 3994800 CPU: 11569.8, 0.00287324/step Wall: 11569.8, 0.00287324/step, 0.802271 hours remaining, 211.121094 MB of memory in use. ENERGY: 3994800 748.5733 2093.6692 1929.3986 116.5241 -206218.9241 17884.6744 0.0000 0.0000 34312.4048 -149133.6798 299.6588 -183446.0846 -149044.5430 299.5144 -44.6557 -15.4603 559431.7819 -15.5287 -15.5671 PRESSURE: 3995000 -60.1836 229.409 -165.052 229.407 35.6479 104.788 -165.052 104.787 -21.975 GPRESSURE: 3995000 -30.8155 176.303 -155.169 270.708 36.7014 56.8902 -111.207 109.211 51.0072 PRESSAVG: 3995000 -39.5674 41.9752 62.5064 41.9753 24.2804 -9.06094 62.5064 -9.06088 25.6506 GPRESSAVG: 3995000 -39.8881 39.8798 58.7482 42.1116 23.6136 -9.60743 61.7858 -8.66348 26.6732 TIMING: 3995000 CPU: 11570.4, 0.00288417/step Wall: 11570.4, 0.00288417/step, 0.805165 hours remaining, 211.121094 MB of memory in use. ENERGY: 3995000 710.1655 2076.4448 1944.1466 107.2597 -206117.7862 17786.4302 0.0000 0.0000 34342.4657 -149150.8737 299.9213 -183493.3394 -149053.7132 299.2884 -15.5036 18.9644 558720.3680 3.4545 3.4662 PRESSURE: 3995200 -324.604 49.2943 215.057 49.2945 -74.9623 -79.2085 215.058 -79.208 -212.573 GPRESSURE: 3995200 -278.218 7.53567 199.608 147.106 -49.0309 -47.4607 264.874 -135.522 -184.48 PRESSAVG: 3995200 -61.2938 -13.3453 53.8898 -13.3454 47.101 -10.8328 53.8899 -10.8327 10.6727 GPRESSAVG: 3995200 -61.5358 -12.4081 55.7763 -13.8331 46.7495 -10.444 54.1527 -13.0534 11.1859 TIMING: 3995200 CPU: 11570.9, 0.00287288/step Wall: 11570.9, 0.00287288/step, 0.801854 hours remaining, 211.121094 MB of memory in use. ENERGY: 3995200 755.2222 2095.6919 1941.6044 108.9299 -205921.6279 17599.1425 0.0000 0.0000 34061.3058 -149359.7312 297.4659 -183421.0370 -149257.3299 298.3588 -204.0463 -170.5763 560167.8818 -1.1734 -1.2001 PRESSURE: 3995400 -155.259 242.716 -7.69589 242.717 -282.006 13.5014 -7.69744 13.5013 204.743 GPRESSURE: 3995400 -120.098 184.639 -28.2618 219.012 -231.72 79.2809 17.6116 0.042225 215.049 PRESSAVG: 3995400 -46.5393 58.8486 37.9468 58.8486 -25.5369 52.3316 37.9468 52.3317 67.0173 GPRESSAVG: 3995400 -45.6252 57.8852 37.0448 60.4035 -25.0697 52.8709 37.5233 53.8705 65.6711 TIMING: 3995400 CPU: 11571.5, 0.00288136/step Wall: 11571.5, 0.00288136/step, 0.804059 hours remaining, 211.121094 MB of memory in use. ENERGY: 3995400 766.8366 2062.2627 1951.4571 106.8251 -206178.0456 17747.0320 0.0000 0.0000 34252.2229 -149291.4092 299.1332 -183543.6321 -149197.7960 298.3044 -77.5076 -45.5898 559022.7813 -1.6863 -1.6746 PRESSURE: 3995600 -234.758 -83.8792 -37.1794 -83.8793 -247.066 153.026 -37.1788 153.026 -255.187 GPRESSURE: 3995600 -200.313 -37.6985 -54.6463 -70.2748 -237.759 172.968 3.0281 128.824 -194.844 PRESSAVG: 3995600 6.7334 -23.7115 37.8257 -23.7115 24.3642 -14.948 37.8257 -14.948 26.1232 GPRESSAVG: 3995600 6.86664 -21.4209 37.6523 -24.6138 24.2291 -17.5319 36.6089 -13.1042 26.1635 TIMING: 3995600 CPU: 11572.1, 0.00291091/step Wall: 11572.1, 0.00291091/step, 0.812144 hours remaining, 211.121094 MB of memory in use. ENERGY: 3995600 775.6659 2038.7972 1907.5272 111.0297 -205797.6433 17486.8217 0.0000 0.0000 34297.1162 -149180.6854 299.5252 -183477.8016 -149088.4979 299.1431 -245.6703 -210.9720 559393.2493 19.0736 19.0864 PRESSURE: 3995800 -293.922 3.7977 31.8817 3.79682 -156.697 9.0269 31.8808 9.02622 -309.836 GPRESSURE: 3995800 -231.567 39.4449 116.701 -75.8686 -146.101 145.476 -11.8685 6.20857 -285.221 PRESSAVG: 3995800 -60.8278 -50.753 24.5437 -50.7531 20.9729 -14.3736 24.5437 -14.3734 29.6578 GPRESSAVG: 3995800 -61.6614 -53.7534 26.0084 -51.0016 20.9415 -11.6836 23.6433 -17.5345 30.1198 TIMING: 3995800 CPU: 11572.7, 0.00290196/step Wall: 11572.7, 0.00290196/step, 0.809485 hours remaining, 211.121094 MB of memory in use. ENERGY: 3995800 774.6394 2078.7399 1949.7667 108.5590 -205950.1853 17533.5545 0.0000 0.0000 34268.4751 -149236.4505 299.2751 -183504.9256 -149145.4552 299.2782 -253.4849 -220.9632 558989.1620 -3.3990 -3.5334 PRESSURE: 3996000 139.089 11.0192 -143.009 11.0186 292.439 55.8248 -143.01 55.8269 193.184 GPRESSURE: 3996000 134.044 10.9225 -136.708 8.66192 296.556 74.3612 -149.065 63.7788 284.406 PRESSAVG: 3996000 -29.7383 16.2878 -18.1571 16.2879 -6.59094 11.0433 -18.1572 11.0432 27.26 GPRESSAVG: 3996000 -28.5085 17.493 -19.5676 16.7555 -7.59326 11.82 -16.1186 12.2338 27.4178 TIMING: 3996000 CPU: 11573.3, 0.00290877/step Wall: 11573.3, 0.00290877/step, 0.811224 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3996000 714.7810 2126.9284 1939.7674 103.5699 -206352.4495 18274.0061 0.0000 0.0000 33874.1556 -149319.2410 295.8314 -183193.3967 -149233.2359 298.5543 208.2372 238.3351 559038.9656 -3.0231 -2.8946 PRESSURE: 3996200 -243.149 -15.1927 -109.183 -15.1928 -244.211 -41.9054 -109.183 -41.9048 -202.074 GPRESSURE: 3996200 -230.734 -50.7272 -63.2237 -36.0744 -158.3 -82.2429 -89.9945 -13.3413 -203.482 PRESSAVG: 3996200 0.384181 -51.9213 -36.6513 -51.9213 28.9787 -32.9127 -36.6512 -32.9128 0.159165 GPRESSAVG: 3996200 -0.119343 -51.3637 -34.7747 -52.1818 29.0441 -34.8857 -38.3228 -31.4411 0.126597 TIMING: 3996200 CPU: 11573.8, 0.00288448/step Wall: 11573.8, 0.00288448/step, 0.804288 hours remaining, 211.121094 MB of memory in use. ENERGY: 3996200 765.5293 2098.6449 1908.0733 101.6401 -205873.8480 17533.4372 0.0000 0.0000 34191.7131 -149274.8100 298.6047 -183466.5231 -149178.4782 298.0401 -229.8112 -197.5054 558705.0230 9.8407 9.6838 LDB: ============= START OF LOAD BALANCING ============== 11577.2 LDB: ============== END OF LOAD BALANCING =============== 11577.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11577.2 LDB: ============= START OF LOAD BALANCING ============== 11577.5 LDB: Largest compute 4773 load 0.024292 is 20.6% of average load 0.117960 LDB: Average compute 0.001738 is 1.5% of average load 0.117960 LDB: TIME 11577.5 LOAD: AVG 0.11796 MAX 0.17945 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 11577.5 LOAD: AVG 0.11796 MAX 0.17945 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 11577.5 LOAD: AVG 0.11796 MAX 0.17945 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11577.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11577.5 PRESSURE: 3996400 -79.1719 94.9326 36.07 94.9317 -198.189 -115.568 36.0702 -115.568 104.687 GPRESSURE: 3996400 -6.8469 141.157 -2.47321 8.39711 -198.322 -145.09 -38.8789 -53.1086 138.422 PRESSAVG: 3996400 -52.9907 -45.5259 31.8762 -45.5259 15.9085 -43.7434 31.8763 -43.7434 41.1245 GPRESSAVG: 3996400 -53.3185 -44.4908 30.9814 -46.7689 16.5882 -43.3261 34.3149 -44.0948 40.8525 TIMING: 3996400 CPU: 11574.4, 0.00294853/step Wall: 11574.4, 0.00294853/step, 0.821983 hours remaining, 211.375000 MB of memory in use. ENERGY: 3996400 739.8460 2085.7734 1959.8733 109.0883 -205921.3075 17843.0086 0.0000 0.0000 34036.0121 -149147.7057 297.2450 -183183.7179 -149058.4298 299.0417 -57.5581 -22.2491 559029.0800 1.3474 1.3741 PRESSURE: 3996600 -222.088 73.2296 66.6584 73.2294 -78.27 -158.961 66.6586 -158.963 277.88 GPRESSURE: 3996600 -136.158 97.0233 153.132 28.361 -74.9461 -95.3403 45.3087 -140.003 285.55 PRESSAVG: 3996600 5.07387 2.08358 25.2554 2.0836 0.85128 -17.7881 25.2553 -17.7882 3.95257 GPRESSAVG: 3996600 4.41687 1.28991 25.4646 2.76628 1.05422 -16.2221 23.2804 -21.1118 4.53162 TIMING: 3996600 CPU: 11575, 0.00288182/step Wall: 11575, 0.00288182/step, 0.803228 hours remaining, 211.578125 MB of memory in use. ENERGY: 3996600 779.2274 2089.9543 1910.4461 97.1073 -206153.8808 17836.3379 0.0000 0.0000 34274.1578 -149166.6499 299.3247 -183440.8078 -149069.9930 299.1156 -7.4928 24.8155 557521.0137 3.2926 3.3342 PRESSURE: 3996800 -121.449 13.9188 -116.301 13.9189 133.665 -120.538 -116.301 -120.539 36.8014 GPRESSURE: 3996800 -92.8624 -23.5776 -110.11 45.561 167.824 -154.364 -161.481 -67.2651 71.8283 PRESSAVG: 3996800 -36.3676 3.20333 12.2406 3.20326 -4.99086 -14.5547 12.2405 -14.5547 15.433 GPRESSAVG: 3996800 -36.2883 3.25867 12.3692 3.41844 -5.23696 -13.6147 11.4333 -13.7344 15.2647 TIMING: 3996800 CPU: 11575.6, 0.00289397/step Wall: 11575.6, 0.00289397/step, 0.806454 hours remaining, 211.578125 MB of memory in use. ENERGY: 3996800 741.5430 2141.2059 1924.8831 118.4374 -206344.3533 17867.0522 0.0000 0.0000 34255.9137 -149295.3179 299.1654 -183551.2316 -149191.7294 299.3754 16.3394 48.9299 556385.9250 -8.6418 -8.7535 PRESSURE: 3997000 39.9327 37.6563 -117.656 37.6564 28.0099 -237.935 -117.657 -237.936 -252.318 GPRESSURE: 3997000 107.389 20.935 -102.835 28.6551 43.5862 -198.99 -41.8541 -174.79 -232.287 PRESSAVG: 3997000 31.6075 -22.5954 -29.6691 -22.5954 18.3285 -42.3667 -29.6691 -42.3667 -20.0692 GPRESSAVG: 3997000 31.2764 -22.8186 -29.8031 -22.4067 18.1382 -43.4416 -28.1376 -41.7442 -19.59 TIMING: 3997000 CPU: 11576.2, 0.00289903/step Wall: 11576.2, 0.00289903/step, 0.807703 hours remaining, 211.578125 MB of memory in use. ENERGY: 3997000 726.4580 2066.8004 1969.2735 116.5681 -205936.1939 17802.6447 0.0000 0.0000 34121.4224 -149133.0268 297.9909 -183254.4492 -149037.8251 299.1771 -61.4584 -27.1040 558218.1656 9.9556 9.9415 PRESSURE: 3997200 111.233 16.9415 65.9152 16.9399 17.1758 -129.627 65.9151 -129.628 -37.3682 GPRESSURE: 3997200 161.417 -26.2173 140.132 54.1418 67.3993 -115.289 13.0023 -45.9798 -49.2981 PRESSAVG: 3997200 45.7636 42.7245 1.84417 42.7246 -4.94647 -29.4952 1.84427 -29.4953 -36.5741 GPRESSAVG: 3997200 46.7718 41.9924 0.879059 44.642 -4.59313 -29.714 4.47353 -28.8307 -38.555 TIMING: 3997200 CPU: 11576.7, 0.0028828/step Wall: 11576.7, 0.0028828/step, 0.80302 hours remaining, 211.578125 MB of memory in use. ENERGY: 3997200 769.8908 2058.4240 1947.5841 125.2797 -206104.7471 17762.2455 0.0000 0.0000 34394.0194 -149047.3037 300.3715 -183441.3231 -148951.1286 299.4843 30.3468 59.8393 557274.1200 1.4143 1.2079 PRESSURE: 3997400 -120.702 -152.966 -6.77598 -152.967 -223.784 30.3139 -6.77693 30.3154 -266.204 GPRESSURE: 3997400 -103.167 -209.821 -50.2831 -114.189 -205.148 -19.1279 -21.7916 39.9067 -198.462 PRESSAVG: 3997400 -15.8149 34.7902 25.3523 34.7902 28.9717 5.93497 25.3522 5.93496 -18.0619 GPRESSAVG: 3997400 -16.5721 34.3184 26.323 33.9794 28.0757 6.79541 21.8508 6.05187 -16.2033 TIMING: 3997400 CPU: 11577.3, 0.002877/step Wall: 11577.3, 0.002877/step, 0.801245 hours remaining, 211.578125 MB of memory in use. ENERGY: 3997400 765.5811 2134.5245 1929.7245 123.3648 -205789.0637 17514.9795 0.0000 0.0000 34169.7438 -149151.1455 298.4129 -183320.8893 -149061.8656 299.6955 -203.5633 -168.9256 556398.4067 -1.6350 -1.5666 PRESSURE: 3997600 -206.147 76.3383 -45.3549 76.3379 60.2606 66.8677 -45.3544 66.8673 -299.455 GPRESSURE: 3997600 -104.304 104.5 -21.9618 -7.07298 63.4851 117.299 13.456 -34.0549 -304.399 PRESSAVG: 3997600 -31.7313 25.7654 -2.60911 25.7654 46.8787 -12.6909 -2.6092 -12.6909 -26.3918 GPRESSAVG: 3997600 -31.7455 25.2415 -4.67623 25.8781 47.4286 -12.3724 -0.887958 -15.097 -27.528 TIMING: 3997600 CPU: 11577.9, 0.00286284/step Wall: 11577.9, 0.00286284/step, 0.797142 hours remaining, 211.578125 MB of memory in use. ENERGY: 3997600 777.5469 2095.3095 1951.7485 113.4830 -206205.2186 17632.0030 0.0000 0.0000 34453.4323 -149181.6953 300.8904 -183635.1276 -149078.4105 299.5927 -148.4470 -115.0727 557238.8771 -3.7481 -3.9483 PRESSURE: 3997800 -117.555 39.9514 -20.7901 39.9517 72.783 -151.015 -20.7901 -151.015 118.774 GPRESSURE: 3997800 -92.401 18.5785 5.1476 -14.5622 193.139 -183.486 -30.8768 -208.667 80.0355 PRESSAVG: 3997800 -68.2703 32.8944 16.2355 32.8944 53.3244 -21.1312 16.2355 -21.1311 10.6983 GPRESSAVG: 3997800 -67.1605 33.3102 19.2929 33.6952 53.5742 -22.1525 14.0019 -18.7377 9.05912 TIMING: 3997800 CPU: 11578.5, 0.00286902/step Wall: 11578.5, 0.00286902/step, 0.798702 hours remaining, 211.578125 MB of memory in use. ENERGY: 3997800 772.9925 2130.6817 1907.6859 108.2468 -206646.0547 18141.4272 0.0000 0.0000 34308.3119 -149276.7087 299.6230 -183585.0206 -149176.5916 299.4092 24.6672 60.2580 556591.2507 -1.4159 -1.5091 PRESSURE: 3998000 8.83427 -44.4941 -180.985 -44.4937 -120.503 101.61 -180.986 101.609 -126.897 GPRESSURE: 3998000 54.0409 -107.15 -126.97 41.9894 -108.558 50.8457 -235.863 142.231 -90.7114 PRESSAVG: 3998000 -48.6694 -27.0444 16.7173 -27.0443 54.5248 -34.8087 16.7174 -34.8086 4.93731 GPRESSAVG: 3998000 -50.6463 -27.573 15.1538 -27.8354 54.7293 -33.7495 17.6593 -35.6376 5.86145 TIMING: 3998000 CPU: 11579, 0.00288326/step Wall: 11579, 0.00288326/step, 0.802508 hours remaining, 211.578125 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: 3998000 732.6774 2089.2849 1967.6220 121.7009 -206180.6038 17658.0716 0.0000 0.0000 34227.3675 -149383.8795 298.9161 -183611.2470 -149286.8964 299.1208 -79.5218 -48.4095 557321.2252 3.5976 3.3148 PRESSURE: 3998200 129.317 20.165 12.1145 20.1655 62.0073 -11.2237 12.1135 -11.2247 -202.724 GPRESSURE: 3998200 131.269 -21.1978 57.3454 39.0155 108.597 -13.8775 -83.5109 -36.7659 -149 PRESSAVG: 3998200 -12.2066 -32.7519 -47.4636 -32.7519 4.95361 -69.3897 -47.4636 -69.3896 40.5307 GPRESSAVG: 3998200 -11.201 -30.1263 -47.1951 -32.827 3.62712 -70.3244 -47.6546 -70.508 40.7058 TIMING: 3998200 CPU: 11579.6, 0.00288729/step Wall: 11579.6, 0.00288729/step, 0.803469 hours remaining, 211.578125 MB of memory in use. ENERGY: 3998200 738.3957 2084.4322 1968.5512 121.9624 -206235.8750 17782.8036 0.0000 0.0000 34278.2555 -149261.4744 299.3605 -183539.7299 -149160.4400 298.9558 -3.7998 30.2885 557954.8551 11.0926 11.0439 PRESSURE: 3998400 75.9171 62.7904 -94.6211 62.791 115.253 -72.1665 -94.6211 -72.1661 72.498 GPRESSURE: 3998400 119.297 116.67 -64.0978 53.5856 209.353 -43.1565 -62.2602 -23.7662 35.7821 PRESSAVG: 3998400 9.45835 -6.37141 -10.6448 -6.3713 16.2695 49.8784 -10.6448 49.8784 -15.4576 GPRESSAVG: 3998400 8.22738 -8.14827 -9.15545 -7.45711 17.0089 50.1208 -11.3902 51.3654 -15.8257 TIMING: 3998400 CPU: 11580.2, 0.0028925/step Wall: 11580.2, 0.0028925/step, 0.804757 hours remaining, 211.578125 MB of memory in use. ENERGY: 3998400 715.5810 2112.2299 1958.2440 105.2914 -206210.4152 17894.7293 0.0000 0.0000 34294.8029 -149129.5366 299.5050 -183424.3395 -149031.2888 299.2321 87.8893 121.4773 558759.1250 3.4234 3.1369 PRESSURE: 3998600 188.574 96.2316 166.522 96.2317 55.4396 -118.72 166.521 -118.721 -126.513 GPRESSURE: 3998600 237.255 130.211 169.619 76.0841 106.1 -107.727 240.474 -62.7566 -118.738 PRESSAVG: 3998600 -41.969 -5.8274 36.1276 -5.82745 57.5057 1.67541 36.1276 1.67541 18.6481 GPRESSAVG: 3998600 -42.4655 -5.77576 35.1349 -4.81169 57.8273 0.215812 36.3814 2.23403 18.8531 TIMING: 3998600 CPU: 11580.8, 0.00287/step Wall: 11580.8, 0.00287/step, 0.798338 hours remaining, 211.578125 MB of memory in use. ENERGY: 3998600 715.4742 2114.3998 1953.0451 108.9127 -206513.4937 17965.2585 0.0000 0.0000 34462.3767 -149194.0266 300.9685 -183656.4033 -149094.8110 300.2467 39.1668 74.8722 557153.6679 11.3949 11.4050 PRESSURE: 3998800 4.73023 30.8835 -77.5907 30.8848 286.85 1.51669 -77.5898 1.51616 -8.46233 GPRESSURE: 3998800 72.9923 35.7272 -15.2389 -19.6261 264.002 -57.5429 -113.361 86.1979 46.0665 PRESSAVG: 3998800 -36.86 17.4523 13.0749 17.4522 15.6665 -2.35476 13.0749 -2.3548 2.80744 GPRESSAVG: 3998800 -35.3387 18.6021 12.3472 14.5763 14.7461 -2.11288 14.0748 -3.67363 2.49223 TIMING: 3998800 CPU: 11581.3, 0.00287751/step Wall: 11581.3, 0.00287751/step, 0.800269 hours remaining, 211.578125 MB of memory in use. ENERGY: 3998800 756.5741 2047.1979 1945.8117 116.1338 -206182.8026 17909.7006 0.0000 0.0000 34178.6734 -149228.7111 298.4909 -183407.3844 -149129.0018 299.7080 94.3728 127.6869 557002.7809 -6.1287 -6.0334 PRESSURE: 3999000 -191.155 3.43538 -33.6015 3.435 -84.0235 -122.889 -33.6023 -122.889 -10.9298 GPRESSURE: 3999000 -144.517 -81.1998 -10.4232 -29.7903 -5.30038 -162.47 -4.04872 -121.725 -37.014 PRESSAVG: 3999000 -81.1564 -50.8885 25.1276 -50.8884 115.868 -17.9867 25.1275 -17.9865 3.32792 GPRESSAVG: 3999000 -81.4004 -51.8496 26.719 -49.6854 116.286 -16.0476 23.9797 -19.9481 3.32921 TIMING: 3999000 CPU: 11581.9, 0.00288533/step Wall: 11581.9, 0.00288533/step, 0.802281 hours remaining, 211.578125 MB of memory in use. ENERGY: 3999000 724.0849 2100.6389 1935.0077 125.4652 -206125.1628 17665.5309 0.0000 0.0000 34272.2855 -149302.1498 299.3084 -183574.4352 -149206.2260 299.6667 -95.3693 -62.2770 558983.4303 12.6798 12.7383 PRESSURE: 3999200 372.013 -9.20119 -79.6757 -9.20175 294.967 -123.949 -79.6749 -123.949 52.1477 GPRESSURE: 3999200 377.279 -4.35743 -106.311 1.77943 337.451 -83.0771 -63.6714 -90.8159 109.961 PRESSAVG: 3999200 22.9294 9.25884 17.975 9.25885 -34.8885 -26.9628 17.9748 -26.9629 3.65668 GPRESSAVG: 3999200 23.1695 8.86896 17.7736 11.0643 -35.0732 -26.7083 20.3346 -25.4174 3.72051 TIMING: 3999200 CPU: 11582.5, 0.00290055/step Wall: 11582.5, 0.00290055/step, 0.806353 hours remaining, 211.578125 MB of memory in use. ENERGY: 3999200 776.5609 2071.7561 1945.3632 108.6786 -206832.2487 18211.4772 0.0000 0.0000 34383.7608 -149334.6519 300.2819 -183718.4127 -149234.4445 299.5580 239.7092 274.8969 556944.5161 -2.7675 -2.7277 PRESSURE: 3999400 -152.64 -19.1785 -2.14866 -19.1789 -27.9213 66.3853 -2.14957 66.3847 -61.0526 GPRESSURE: 3999400 -121.787 -10.6288 -45.8507 -29.9235 25.3 -22.7993 -25.5095 60.7888 -41.7097 PRESSAVG: 3999400 2.68042 1.49616 19.9886 1.49626 44.9666 -30.6261 19.9886 -30.6261 -18.1998 GPRESSAVG: 3999400 2.98741 2.39968 18.8371 0.23949 44.3041 -30.7215 19.2498 -31.2158 -18.2819 TIMING: 3999400 CPU: 11583.1, 0.00288304/step Wall: 11583.1, 0.00288304/step, 0.801325 hours remaining, 211.578125 MB of memory in use. ENERGY: 3999400 759.1009 2085.1995 1955.4482 121.3394 -206121.8219 17715.9402 0.0000 0.0000 34103.9634 -149380.8305 297.8384 -183484.7938 -149285.0801 298.5181 -80.5379 -46.0656 557086.1043 9.8157 9.6699 PRESSURE: 3999600 -174.617 -185.127 54.1438 -185.125 244.834 -52.9698 54.1442 -52.97 -174.746 GPRESSURE: 3999600 -171.131 -204.416 20.5996 -227.341 293.064 -62.286 88.7845 7.2666 -139.367 PRESSAVG: 3999600 47.2003 -68.317 5.84194 -68.3169 26.8809 82.199 5.84192 82.199 -40.0202 GPRESSAVG: 3999600 46.6376 -68.0218 7.37645 -68.5981 27.2972 80.9743 6.10048 85.2483 -39.779 TIMING: 3999600 CPU: 11583.6, 0.00287297/step Wall: 11583.6, 0.00287297/step, 0.798366 hours remaining, 211.578125 MB of memory in use. ENERGY: 3999600 748.9141 2108.8951 1940.2868 110.5919 -206494.2528 17917.0178 0.0000 0.0000 34259.4327 -149409.1144 299.1961 -183668.5471 -149307.2143 298.3824 -34.8430 -5.8111 557939.3041 11.3537 11.3853 PRESSURE: 3999800 -284.208 70.6751 -11.9415 70.6747 -407.055 29.5532 -11.9416 29.5529 -431.175 GPRESSURE: 3999800 -295.585 43.8749 -67.2284 127.151 -372.757 95.0196 -18.2125 -53.6221 -355.174 PRESSAVG: 3999800 18.0019 -61.2165 -15.3166 -61.2164 -13.9469 30.2975 -15.3166 30.2976 -39.3651 GPRESSAVG: 3999800 17.7826 -59.413 -17.9194 -59.1466 -14.3285 31.3002 -16.8586 28.1129 -39.0426 TIMING: 3999800 CPU: 11584.2, 0.0028741/step Wall: 11584.2, 0.0028741/step, 0.798522 hours remaining, 211.578125 MB of memory in use. ENERGY: 3999800 741.6210 2152.7091 1967.4534 106.8178 -205788.9536 17341.0220 0.0000 0.0000 34207.1571 -149272.1732 298.7396 -183479.3303 -149172.9523 299.0035 -374.1461 -341.1721 557191.4785 -11.7701 -11.8628 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4000000 WRITING COORDINATES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4000000 -30.2776 23.245 -126.698 23.2458 -121.084 0.488928 -126.698 0.488606 -322.008 GPRESSURE: 4000000 -1.98417 33.1708 -135.917 -2.65797 -98.4651 65.4316 -141.435 -74.162 -273.294 PRESSAVG: 4000000 24.7926 11.9642 -53.196 11.9642 8.4056 -45.2026 -53.196 -45.2025 -22.4688 GPRESSAVG: 4000000 25.8913 9.64671 -51.9234 11.1352 7.58277 -44.7334 -52.0523 -45.444 -22.5442 TIMING: 4000000 CPU: 11584.9, 0.00326748/step Wall: 11584.9, 0.00326748/step, 0.907632 hours remaining, 211.703125 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: 4000000 732.7311 2164.9389 1944.1647 116.1651 -206162.9569 17572.1905 0.0000 0.0000 34184.8997 -149447.8670 298.5452 -183632.7667 -149356.5595 298.8406 -157.7898 -124.5810 557011.2800 3.5765 3.6433 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 WRITING VELOCITIES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4000200 -79.7592 76.51 11.9593 76.51 -68.8571 11.7112 11.9589 11.7118 20.0273 GPRESSURE: 4000200 -48.0709 130.282 -43.377 -9.06134 -58.0295 5.78482 100.753 -40.8946 81.3249 PRESSAVG: 4000200 -44.432 16.3344 -31.2443 16.3342 1.29498 -19.4696 -31.2443 -19.4696 -5.73056 GPRESSAVG: 4000200 -44.7649 16.2839 -26.7685 17.5102 2.30551 -19.4714 -33.4895 -19.855 -6.11303 TIMING: 4000200 CPU: 11585.5, 0.00303733/step Wall: 11585.5, 0.00303733/step, 0.843533 hours remaining, 211.703125 MB of memory in use. ENERGY: 4000200 749.0164 2071.7761 1959.4780 97.7891 -206301.5294 17728.0318 0.0000 0.0000 34226.7131 -149468.7248 298.9104 -183695.4380 -149363.1553 298.2863 -42.8630 -8.2585 556582.9206 -16.2892 -16.1908 LDB: ============= START OF LOAD BALANCING ============== 11588.9 LDB: ============== END OF LOAD BALANCING =============== 11588.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11588.9 LDB: ============= START OF LOAD BALANCING ============== 11589.2 LDB: Largest compute 4792 load 0.024788 is 21.0% of average load 0.118017 LDB: Average compute 0.001737 is 1.5% of average load 0.118017 LDB: TIME 11589.2 LOAD: AVG 0.118017 MAX 0.178924 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 11589.2 LOAD: AVG 0.118017 MAX 0.178924 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.32 MB LDB: TIME 11589.2 LOAD: AVG 0.118017 MAX 0.178924 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.32 MB LDB: ============== END OF LOAD BALANCING =============== 11589.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11589.2 PRESSURE: 4000400 -120.675 -138.41 -108.736 -138.409 -138.874 -34.5261 -108.735 -34.5255 -259.31 GPRESSURE: 4000400 -111.714 -217.262 -35.4311 -16.6337 -109.761 -16.6312 -52.3838 -78.8996 -207.692 PRESSAVG: 4000400 -43.5852 1.80215 24.8361 1.80217 7.64842 -4.19104 24.8361 -4.19112 50.2612 GPRESSAVG: 4000400 -44.1576 0.995793 22.1361 0.343314 7.46446 -6.01235 25.7692 -3.48899 51.3875 TIMING: 4000400 CPU: 11586.1, 0.00294632/step Wall: 11586.1, 0.00294632/step, 0.818095 hours remaining, 210.351562 MB of memory in use. ENERGY: 4000400 747.8020 2085.0015 1954.4698 106.0016 -205941.7845 17455.4123 0.0000 0.0000 34022.3593 -149570.7380 297.1257 -183593.0973 -149476.0490 298.0738 -172.9532 -143.0557 558382.0450 4.7748 4.8981 PRESSURE: 4000600 -140.315 60.1783 151.251 60.1783 -39.3874 190.634 151.25 190.633 90.3689 GPRESSURE: 4000600 -108.281 -2.01906 224.875 101.704 22.06 124.861 131.357 239.005 85.8167 PRESSAVG: 4000600 12.7723 -20.558 39.5958 -20.558 -7.32593 44.5652 39.5959 44.5653 11.1143 GPRESSAVG: 4000600 13.5439 -20.1713 41.7335 -20.9856 -7.23101 47.1017 41.0909 42.7472 9.74785 TIMING: 4000600 CPU: 11586.6, 0.00286566/step Wall: 11586.6, 0.00286566/step, 0.795538 hours remaining, 210.351562 MB of memory in use. ENERGY: 4000600 760.0001 2085.6007 1941.0264 111.2827 -206514.3369 18018.5607 0.0000 0.0000 34113.6259 -149484.2404 297.9228 -183597.8663 -149388.1060 298.1843 -29.7777 -0.1349 557351.3571 5.5202 5.3536 PRESSURE: 4000800 -24.3264 21.6192 193.79 21.6186 -156.954 95.0161 193.787 95.0151 -96.334 GPRESSURE: 4000800 -31.5267 38.4219 176.012 43.9242 -90.8348 147.024 218.906 52.0013 -59.6435 PRESSAVG: 4000800 -27.7536 5.86871 -13.6543 5.86868 6.62505 14.5753 -13.6543 14.5753 4.93948 GPRESSAVG: 4000800 -27.518 6.05857 -14.5404 7.24147 7.25193 13.5054 -14.4129 15.4334 4.20535 TIMING: 4000800 CPU: 11587.2, 0.00288156/step Wall: 11587.2, 0.00288156/step, 0.799792 hours remaining, 210.351562 MB of memory in use. ENERGY: 4000800 753.6790 2049.0849 1945.0071 110.7284 -206569.2473 17826.6791 0.0000 0.0000 34244.1256 -149639.9432 299.0625 -183884.0688 -149540.9618 298.1190 -92.5382 -60.6683 555559.9684 -5.3964 -5.3536 PRESSURE: 4001000 34.0086 107.7 -177.059 107.698 54.9315 -141.582 -177.06 -141.581 429.523 GPRESSURE: 4001000 38.3821 93.1392 -102.564 42.6266 97.7093 -155.122 -261.861 -151.388 468.425 PRESSAVG: 4001000 -77.485 -39.4645 7.35554 -39.4645 30.7033 -5.3876 7.3555 -5.38763 20.7425 GPRESSAVG: 4001000 -77.0832 -41.5367 6.11797 -39.8003 30.7532 -5.5209 7.96505 -6.10369 19.7111 TIMING: 4001000 CPU: 11587.8, 0.00288038/step Wall: 11587.8, 0.00288038/step, 0.799306 hours remaining, 210.351562 MB of memory in use. ENERGY: 4001000 739.6542 2093.5649 1934.1715 112.6642 -206877.2588 18126.3349 0.0000 0.0000 34095.5707 -149775.2983 297.7651 -183870.8691 -149676.2599 297.6600 172.8210 201.5054 555985.0395 -8.6797 -8.8730 PRESSURE: 4001200 -317.275 40.5207 -80.7494 40.5218 -116.744 22.8303 -80.7497 22.8321 153.157 GPRESSURE: 4001200 -284.414 117.056 -94.2546 15.8682 -68.3252 -85.4436 -6.22266 11.8478 175.787 PRESSAVG: 4001200 -38.3768 -5.55906 -66.9723 -5.55907 -0.666938 -26.2536 -66.9724 -26.2535 34.7446 GPRESSAVG: 4001200 -39.0404 -4.95253 -69.7624 -6.10246 -1.29357 -24.8082 -64.4263 -29.1168 36.3902 TIMING: 4001200 CPU: 11588.4, 0.00288638/step Wall: 11588.4, 0.00288638/step, 0.80081 hours remaining, 210.351562 MB of memory in use. ENERGY: 4001200 739.4609 2093.8839 1950.7502 116.3800 -206703.7394 17957.9148 0.0000 0.0000 34159.7100 -149685.6396 298.3252 -183845.3497 -149596.3154 297.9470 -93.6205 -58.9840 557973.9280 -1.4330 -1.3146 PRESSURE: 4001400 -114.09 60.5382 -133.15 60.5393 -0.370878 -176.504 -133.15 -176.505 80.0741 GPRESSURE: 4001400 -28.7771 87.4155 -148.042 33.3466 12.2188 -304.516 -159.568 3.54453 79.6876 PRESSAVG: 4001400 -43.924 23.0943 -61.3215 23.0942 -53.6639 -38.1081 -61.3216 -38.108 69.7199 GPRESSAVG: 4001400 -43.9418 23.8536 -57.247 22.4929 -53.5898 -40.0758 -65.6117 -33.1823 69.8642 TIMING: 4001400 CPU: 11588.9, 0.00287011/step Wall: 11588.9, 0.00287011/step, 0.796137 hours remaining, 210.351562 MB of memory in use. ENERGY: 4001400 731.3953 2120.7414 1951.1866 115.8245 -206330.8922 17853.2867 0.0000 0.0000 33944.6787 -149613.7790 296.4473 -183558.4576 -149518.5531 298.1639 -11.4624 21.0431 558082.2199 -9.2893 -9.2225 PRESSURE: 4001600 -3.48022 -87.838 -0.90393 -87.8378 -138.795 -128.212 -0.904218 -128.214 -136.262 GPRESSURE: 4001600 22.2346 -4.64557 -13.5547 -73.6205 -76.6852 -84.3646 -18.5157 -207.402 -127.199 PRESSAVG: 4001600 -10.737 13.318 -29.5874 13.3178 -16.4537 -31.6952 -29.5873 -31.6952 -31.312 GPRESSAVG: 4001600 -10.372 14.4161 -31.5716 12.756 -15.3882 -33.4896 -28.3853 -33.3017 -32.1875 TIMING: 4001600 CPU: 11589.5, 0.00284594/step Wall: 11589.5, 0.00284594/step, 0.789275 hours remaining, 210.351562 MB of memory in use. ENERGY: 4001600 766.9720 2051.5229 1965.3202 121.6673 -206374.2446 17719.7165 0.0000 0.0000 34082.1135 -149666.9323 297.6476 -183749.0457 -149575.1419 297.6356 -92.8457 -60.5498 557788.8718 -19.5009 -19.3159 PRESSURE: 4001800 -96.245 39.9164 92.6794 39.9156 -132.572 -39.4862 92.6788 -39.485 -324.777 GPRESSURE: 4001800 -71.0929 106.278 108.639 30.0032 -84.4277 -96.3342 69.4337 2.27748 -293.194 PRESSAVG: 4001800 40.747 1.5325 27.4524 1.53245 -25.4921 1.8117 27.4524 1.81175 -14.1515 GPRESSAVG: 4001800 39.4506 -1.02261 28.7806 3.48206 -25.3702 4.43231 26.4748 2.31577 -12.7593 TIMING: 4001800 CPU: 11590.1, 0.00288958/step Wall: 11590.1, 0.00288958/step, 0.801215 hours remaining, 210.351562 MB of memory in use. ENERGY: 4001800 730.4257 2061.0177 1965.2625 113.8150 -206087.2984 17491.5066 0.0000 0.0000 34036.7963 -149688.4745 297.2518 -183725.2709 -149596.9080 297.3380 -184.5314 -149.5715 556594.1429 0.3678 0.4404 PRESSURE: 4002000 -95.4098 52.2402 83.5811 52.2383 -62.0687 3.39628 83.5806 3.39552 -95.3392 GPRESSURE: 4002000 -48.6752 112.53 114.123 -0.81268 -10.5705 -4.43861 45.7875 -40.1697 -97.5003 PRESSAVG: 4002000 28.4908 11.2772 66.4391 11.2772 31.7743 39.8689 66.439 39.8689 -68.9446 GPRESSAVG: 4002000 29.5707 11.8026 65.0343 10.4889 30.5654 39.697 68.7782 38.6279 -69.2324 TIMING: 4002000 CPU: 11590.7, 0.00289005/step Wall: 11590.7, 0.00289005/step, 0.801187 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4002000 741.4319 2083.1139 1947.2372 114.8211 -206277.0028 17637.8814 0.0000 0.0000 34057.9509 -149694.5663 297.4366 -183752.5172 -149604.7814 298.4980 -84.2726 -52.2487 556459.8903 -2.8931 -3.0321 PRESSURE: 4002200 136.19 45.4461 81.8844 45.446 164.956 -109.688 81.8844 -109.688 319.151 GPRESSURE: 4002200 233.261 38.9084 59.2039 92.9405 153.331 -93.1838 70.6858 -71.254 328.659 PRESSAVG: 4002200 35.1339 -5.38813 39.0876 -5.38819 -44.8066 11.4874 39.0875 11.4874 -21.0839 GPRESSAVG: 4002200 35.8581 -5.85451 38.9948 -5.35437 -45.1833 11.5086 39.8485 12.2463 -21.3945 TIMING: 4002200 CPU: 11591.2, 0.00286731/step Wall: 11591.2, 0.00286731/step, 0.794723 hours remaining, 210.351562 MB of memory in use. ENERGY: 4002200 704.8782 2092.2572 1960.6674 109.5393 -206468.3381 18004.5328 0.0000 0.0000 33940.1269 -149656.3363 296.4076 -183596.4632 -149570.4389 297.8145 206.7656 238.4170 556192.0094 -10.2522 -10.2399 PRESSURE: 4002400 -238.504 -46.978 -57.5565 -46.9784 -91.001 47.9604 -57.5557 47.9582 -224.307 GPRESSURE: 4002400 -199.313 -30.317 43.8974 -61.1629 -53.2647 67.3317 -41.3974 48.5006 -209.917 PRESSAVG: 4002400 -18.4563 38.2657 -2.75136 38.2657 -29.2516 -14.0788 -2.75135 -14.0787 66.0573 GPRESSAVG: 4002400 -20.3416 40.1332 -2.88706 38.5159 -28.2545 -14.1753 -3.15408 -13.2128 66.9029 TIMING: 4002400 CPU: 11591.8, 0.00286322/step Wall: 11591.8, 0.00286322/step, 0.79343 hours remaining, 210.351562 MB of memory in use. ENERGY: 4002400 715.5943 2042.4541 1949.8694 122.5567 -205714.7544 17420.9496 0.0000 0.0000 33945.8525 -149517.4778 296.4576 -183463.3302 -149417.6284 298.2705 -184.6039 -154.1648 556346.4941 6.1165 6.1023 PRESSURE: 4002600 -241.7 47.7075 -210.132 47.7079 -53.3072 -23.2561 -210.133 -23.257 -91.0517 GPRESSURE: 4002600 -253.459 11.7697 -185.198 20.9561 -24.0249 83.1163 -287.163 -124.951 -1.29392 PRESSAVG: 4002600 51.0492 -17.0393 -8.68029 -17.0393 -29.725 59.0726 -8.68029 59.0727 19.4802 GPRESSAVG: 4002600 52.6384 -17.9747 -9.64519 -18.063 -31.0519 58.2902 -8.31735 59.0981 19.4162 TIMING: 4002600 CPU: 11592.4, 0.00285975/step Wall: 11592.4, 0.00285975/step, 0.792309 hours remaining, 210.351562 MB of memory in use. ENERGY: 4002600 750.3330 2122.5499 1972.4039 121.8584 -206279.7745 17809.6326 0.0000 0.0000 34118.9447 -149384.0519 297.9692 -183502.9967 -149289.3540 298.6535 -128.6864 -92.9258 559276.0894 13.6015 13.6675 PRESSURE: 4002800 52.7417 -85.6733 -131.476 -85.6734 52.8831 -47.452 -131.476 -47.4511 107.215 GPRESSURE: 4002800 64.639 -73.456 -142.876 -21.0773 122.562 -108.866 -75.9515 14.2031 116.536 PRESSAVG: 4002800 -15.2235 -23.6429 -71.9697 -23.643 24.9149 15.2555 -71.9697 15.2555 -49.0353 GPRESSAVG: 4002800 -16.8433 -22.3432 -68.9177 -20.9032 27.0194 15.8447 -73.2433 14.5964 -49.4348 TIMING: 4002800 CPU: 11593, 0.00285701/step Wall: 11593, 0.00285701/step, 0.79139 hours remaining, 210.351562 MB of memory in use. ENERGY: 4002800 770.5709 2083.9247 1948.3894 108.9129 -206491.3670 18061.4233 0.0000 0.0000 34092.1473 -149425.9986 297.7352 -183518.1458 -149327.7571 298.6418 70.9465 101.2455 556983.8032 -13.1146 -13.0862 PRESSURE: 4003000 241.96 -67.3991 181.291 -67.399 -31.6152 7.36396 181.291 7.36432 2.86707 GPRESSURE: 4003000 232.36 -119.746 238.55 84.6076 32.2203 -62.4142 174.22 46.8879 31.5817 PRESSAVG: 4003000 -6.63543 -35.3618 25.4851 -35.3617 -34.0949 13.838 25.4853 13.838 -2.15521 GPRESSAVG: 4003000 -4.41194 -35.245 25.0095 -37.5746 -35.3464 15.445 25.3306 14.1275 -2.60424 TIMING: 4003000 CPU: 11593.5, 0.00285239/step Wall: 11593.5, 0.00285239/step, 0.789955 hours remaining, 210.351562 MB of memory in use. ENERGY: 4003000 740.5364 2061.9643 1967.4149 117.9606 -206605.6537 17996.3633 0.0000 0.0000 34209.7570 -149511.6572 298.7623 -183721.4142 -149419.2283 298.7401 71.0705 98.7207 556863.6892 -14.2952 -14.1209 PRESSURE: 4003200 -91.5771 -48.3567 61.6478 -48.3571 -113.476 -178.549 61.6479 -178.549 -288.494 GPRESSURE: 4003200 -34.1212 -135.834 152.957 67.0165 -86.1268 -210.906 47.4449 -176.855 -265.495 PRESSAVG: 4003200 47.9363 11.0823 3.11475 11.0822 -18.8009 -21.2763 3.11471 -21.2762 -94.3178 GPRESSAVG: 4003200 46.5023 9.80036 1.59603 11.1721 -18.5101 -22.059 3.59962 -21.2728 -93.2129 TIMING: 4003200 CPU: 11594.1, 0.00286635/step Wall: 11594.1, 0.00286635/step, 0.79366 hours remaining, 210.351562 MB of memory in use. ENERGY: 4003200 764.7941 2071.3147 1935.5949 104.2815 -206024.7952 17544.6320 0.0000 0.0000 34105.5285 -149498.6494 297.8521 -183604.1779 -149407.2627 297.8945 -164.5158 -128.5810 557917.0068 -21.7275 -21.7402 PRESSURE: 4003400 -145.606 -74.2513 -37.1729 -74.2516 62.4208 -93.3449 -37.174 -93.343 41.9158 GPRESSURE: 4003400 -108.934 -82.6685 -4.45739 -77.8078 74.0331 -102.023 3.42609 -16.1699 88.2122 PRESSAVG: 4003400 0.920752 11.8596 6.65202 11.8597 -19.4986 26.5618 6.65206 26.5619 -18.1103 GPRESSAVG: 4003400 1.2277 11.6728 7.02975 12.3802 -20.5093 25.2849 7.27797 27.3152 -17.6815 TIMING: 4003400 CPU: 11594.7, 0.00285311/step Wall: 11594.7, 0.00285311/step, 0.789835 hours remaining, 210.351562 MB of memory in use. ENERGY: 4003400 752.0704 2072.5781 1978.1493 114.2823 -206391.3559 17691.5529 0.0000 0.0000 34191.8965 -149590.8265 298.6063 -183782.7230 -149495.5487 298.4948 -13.7564 17.7705 556935.2415 -12.2294 -12.3211 PRESSURE: 4003600 -24.4315 -59.789 -55.3295 -59.7889 88.6556 -46.396 -55.331 -46.3954 203.373 GPRESSURE: 4003600 26.2051 -158.977 46.9328 4.21992 124.856 38.6458 -112.144 -132.287 221.211 PRESSAVG: 4003600 70.5039 -57.7216 82.2735 -57.7215 28.6437 -57.677 82.2734 -57.677 -54.8549 GPRESSAVG: 4003600 69.3482 -57.7937 84.1291 -58.064 28.832 -58.2355 80.4584 -57.0576 -54.1843 TIMING: 4003600 CPU: 11595.2, 0.00287038/step Wall: 11595.2, 0.00287038/step, 0.794458 hours remaining, 210.351562 MB of memory in use. ENERGY: 4003600 787.2594 2094.4617 1927.0067 122.7785 -206852.9373 18157.1764 0.0000 0.0000 34231.6824 -149532.5721 298.9538 -183764.2546 -149440.3720 298.5735 89.1991 124.0905 555899.7202 14.7643 14.6653 PRESSURE: 4003800 -57.1096 111.148 -34.3168 111.148 51.8898 190.048 -34.3165 190.049 -365.623 GPRESSURE: 4003800 -50.8346 84.6156 -30.1367 44.6943 117.141 144.365 -73.1478 212.718 -332.762 PRESSAVG: 4003800 -57.0698 -32.7468 11.5766 -32.7468 26.0234 -28.0642 11.5766 -28.0642 5.63589 GPRESSAVG: 4003800 -56.8692 -31.3482 12.8846 -33.9324 26.8211 -25.9868 10.286 -28.776 4.69912 TIMING: 4003800 CPU: 11595.8, 0.00286432/step Wall: 11595.8, 0.00286432/step, 0.79262 hours remaining, 210.351562 MB of memory in use. ENERGY: 4003800 734.5637 2077.2165 1955.9721 105.7288 -205826.6551 17476.9412 0.0000 0.0000 34009.2356 -149466.9972 297.0111 -183476.2328 -149367.2571 298.0934 -123.6143 -88.8187 556095.7266 -8.4702 -8.4497 PRESSURE: 4004000 -96.9525 44.4538 36.4914 44.4531 115.931 -64.0432 36.4917 -64.0452 93.3911 GPRESSURE: 4004000 -115.347 56.9019 -54.6255 37.7559 227.998 -68.4927 16.92 -55.9894 101.261 PRESSAVG: 4004000 -9.11569 10.4246 39.2702 10.4246 49.7341 13.8818 39.2703 13.8818 -42.0279 GPRESSAVG: 4004000 -9.80854 8.71686 37.7329 12.377 50.4136 13.7255 42.3107 14.8454 -42.6055 TIMING: 4004000 CPU: 11596.4, 0.00286417/step Wall: 11596.4, 0.00286417/step, 0.792421 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4004000 755.1418 2065.0191 1947.5723 114.3747 -206502.0838 17850.7994 0.0000 0.0000 34199.7533 -149569.4234 298.6750 -183769.1766 -149474.9050 298.5049 37.4566 71.3041 556286.7422 -0.4698 -0.6668 PRESSURE: 4004200 127.855 -88.4075 -164.643 -88.4074 247.541 132.716 -164.644 132.715 -345.966 GPRESSURE: 4004200 146.911 -33.4545 -108.625 -131.689 295.195 146.979 -131.55 89.4726 -317.549 PRESSAVG: 4004200 -11.1215 -43.5441 -14.5152 -43.5442 43.0844 -16.9326 -14.5153 -16.9326 -37.6856 GPRESSAVG: 4004200 -9.20243 -42.9929 -12.906 -42.5247 41.5545 -17.4466 -14.7141 -17.1002 -38.1008 TIMING: 4004200 CPU: 11597, 0.00285166/step Wall: 11597, 0.00285166/step, 0.7888 hours remaining, 210.351562 MB of memory in use. ENERGY: 4004200 771.9592 2068.5779 1943.9278 100.6111 -206482.1116 17911.9061 0.0000 0.0000 34176.6938 -149508.4357 298.4736 -183685.1295 -149412.5371 298.5839 9.8099 41.5187 555678.9493 -1.9076 -1.9162 LDB: ============= START OF LOAD BALANCING ============== 11600.3 LDB: ============== END OF LOAD BALANCING =============== 11600.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11600.3 LDB: ============= START OF LOAD BALANCING ============== 11600.6 LDB: Largest compute 4792 load 0.024850 is 21.0% of average load 0.118111 LDB: Average compute 0.001735 is 1.5% of average load 0.118111 LDB: TIME 11600.6 LOAD: AVG 0.118111 MAX 0.180322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 11600.6 LOAD: AVG 0.118111 MAX 0.180322 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: TIME 11600.6 LOAD: AVG 0.118111 MAX 0.180322 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11600.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11600.6 PRESSURE: 4004400 -94.8839 38.0057 100.808 38.0057 134.651 39.7135 100.807 39.7136 230.613 GPRESSURE: 4004400 -4.30523 16.2353 32.3728 6.13964 104.585 29.7492 173.751 74.1639 252.273 PRESSAVG: 4004400 55.7663 -33.1352 -15.935 -33.1352 7.5249 37.7769 -15.9351 37.7769 -46.5604 GPRESSAVG: 4004400 54.4785 -31.4943 -18.6713 -34.3591 8.71218 37.6131 -17.2757 37.5942 -45.8989 TIMING: 4004400 CPU: 11597.5, 0.00290398/step Wall: 11597.5, 0.00290398/step, 0.803112 hours remaining, 210.863281 MB of memory in use. ENERGY: 4004400 701.3994 2067.3995 1958.4991 118.1697 -206369.6965 17929.3241 0.0000 0.0000 34168.8351 -149426.0695 298.4049 -183594.9047 -149332.4288 298.5699 90.1267 117.5175 556400.5839 5.5769 5.7639 PRESSURE: 4004600 -261.533 -183.606 40.2031 -183.606 -131.554 -8.14578 40.2037 -8.14538 -462.939 GPRESSURE: 4004600 -267.55 -183.543 51.6462 -163.223 -95.2176 -25.0178 51.172 -22.0423 -400.444 PRESSAVG: 4004600 41.4879 12.5682 -42.5791 12.5682 15.7414 -21.9366 -42.5791 -21.9368 -8.67273 GPRESSAVG: 4004600 41.5207 13.0017 -40.7892 13.7551 14.996 -20.3154 -42.9869 -22.0235 -7.59596 TIMING: 4004600 CPU: 11598.1, 0.00286852/step Wall: 11598.1, 0.00286852/step, 0.793146 hours remaining, 210.863281 MB of memory in use. ENERGY: 4004600 758.9619 2137.1415 1944.8742 128.2007 -205840.9116 17516.0075 0.0000 0.0000 34076.0972 -149279.6286 297.5950 -183355.7258 -149180.8417 298.8570 -285.3420 -254.4039 558205.3366 16.1855 16.3069 PRESSURE: 4004800 51.3104 73.054 32.0116 73.055 -263.151 -81.239 32.0115 -81.2383 -114.895 GPRESSURE: 4004800 118.424 48.4516 73.4563 46.0207 -227.785 -47.8699 33.1927 -59.9098 -120.979 PRESSAVG: 4004800 34.1497 20.8907 10.7539 20.8908 37.8949 -34.7227 10.7538 -34.7226 -51.4109 GPRESSAVG: 4004800 34.3581 18.5693 10.8159 19.167 37.6809 -34.6337 11.8987 -33.3397 -52.033 TIMING: 4004800 CPU: 11598.7, 0.00289085/step Wall: 11598.7, 0.00289085/step, 0.79916 hours remaining, 210.863281 MB of memory in use. ENERGY: 4004800 752.4027 2078.5762 1935.6864 102.4492 -206044.8319 17641.2366 0.0000 0.0000 34235.0216 -149299.4593 298.9830 -183534.4809 -149199.3195 299.4377 -108.9119 -76.7800 558092.8870 6.8779 6.6687 PRESSURE: 4005000 -27.6189 108.587 -189.979 108.587 84.5425 -7.15483 -189.98 -7.15612 233.863 GPRESSURE: 4005000 71.2993 66.521 -180.27 170.822 113.729 -34.4577 -164.869 4.47249 211.077 PRESSAVG: 4005000 -29.7233 4.89222 11.9324 4.89227 43.0948 -52.5042 11.9324 -52.5042 1.39082 GPRESSAVG: 4005000 -29.6693 5.878 10.7158 6.78514 42.4634 -56.1354 12.7736 -51.526 2.63796 TIMING: 4005000 CPU: 11599.3, 0.00289728/step Wall: 11599.3, 0.00289728/step, 0.800776 hours remaining, 210.863281 MB of memory in use. ENERGY: 4005000 720.1401 2128.2794 1938.6030 115.9804 -206300.1281 17934.0020 0.0000 0.0000 34261.5965 -149201.5268 299.2150 -183463.1234 -149106.6292 299.9454 96.9290 132.0352 557444.8205 4.9208 5.1440 PRESSURE: 4005200 45.1585 -54.7909 -26.9798 -54.7911 98.71 15.6794 -26.9799 15.6794 -96.1328 GPRESSURE: 4005200 37.8025 -121.768 16.3521 -19.2506 135.945 114.764 -53.2824 -39.0805 -42.4102 PRESSAVG: 4005200 42.6791 -3.5375 -37.3903 -3.53756 7.23041 -60.4538 -37.3905 -60.4539 -24.5551 GPRESSAVG: 4005200 43.692 -5.42706 -38.2946 -2.802 7.31966 -56.932 -38.0579 -64.038 -25.4096 TIMING: 4005200 CPU: 11599.9, 0.00288605/step Wall: 11599.9, 0.00288605/step, 0.797511 hours remaining, 210.863281 MB of memory in use. ENERGY: 4005200 748.0561 2129.0902 1944.5551 112.6888 -206200.7330 17779.7614 0.0000 0.0000 34268.8856 -149217.6959 299.2787 -183486.5814 -149120.3871 299.6878 15.9119 43.7791 556856.0237 8.4515 8.5340 PRESSURE: 4005400 -226.759 6.47515 158.469 6.47641 -167.414 -92.2919 158.468 -92.2915 0.558433 GPRESSURE: 4005400 -193.983 -25.2982 235.495 44.6901 -125.544 -85.6749 67.0155 -75.9415 31.4316 PRESSAVG: 4005400 61.6915 -11.6394 33.2479 -11.6393 -9.22474 9.82394 33.2479 9.82385 -15.559 GPRESSAVG: 4005400 61.7014 -11.5908 33.9961 -11.6018 -8.29631 9.86121 33.4161 11.1446 -16.1898 TIMING: 4005400 CPU: 11600.4, 0.00287642/step Wall: 11600.4, 0.00287642/step, 0.79469 hours remaining, 210.863281 MB of memory in use. ENERGY: 4005400 728.3599 2127.8788 1935.2792 109.9411 -205781.2011 17407.9378 0.0000 0.0000 34384.0587 -149087.7455 300.2845 -183471.8042 -148986.5837 299.1566 -131.2050 -96.0316 557614.4545 12.3026 12.4051 PRESSURE: 4005600 -51.5428 109.635 109.522 109.636 94.2605 -58.9 109.522 -58.8995 -198.817 GPRESSURE: 4005600 -44.0267 35.6347 138.704 126.747 142.133 -84.661 86.1521 -31.3558 -150.817 PRESSAVG: 4005600 -46.1506 20.8492 6.51688 20.8493 42.4299 57.8022 6.51676 57.8022 0.0899473 GPRESSAVG: 4005600 -47.1901 21.0205 7.82458 20.1208 42.2827 56.1369 5.72967 57.853 1.37612 TIMING: 4005600 CPU: 11601, 0.00288295/step Wall: 11601, 0.00288295/step, 0.796336 hours remaining, 210.863281 MB of memory in use. ENERGY: 4005600 749.1912 2139.5220 1946.1964 114.7641 -206171.3306 17854.6618 0.0000 0.0000 34281.1936 -149085.8016 299.3862 -183366.9952 -148988.7906 300.1918 -52.0331 -17.5702 558212.4383 -1.2102 -1.1771 PRESSURE: 4005800 -60.9472 285.552 72.3789 285.552 -284.903 37.0095 72.3801 37.0093 126.018 GPRESSURE: 4005800 -29.9231 225.257 52.0339 304.867 -194.329 25.3035 87.4773 59.9003 102.878 PRESSAVG: 4005800 -11.0699 22.1204 12.0789 22.1204 8.40601 56.6408 12.0791 56.6408 4.05601 GPRESSAVG: 4005800 -10.7285 23.8802 10.9965 21.5687 8.11269 56.9748 13.5292 55.1687 3.64212 TIMING: 4005800 CPU: 11601.6, 0.0028739/step Wall: 11601.6, 0.0028739/step, 0.793675 hours remaining, 210.863281 MB of memory in use. ENERGY: 4005800 740.0708 2161.4499 1947.9306 116.5138 -206167.4780 17725.6727 0.0000 0.0000 34289.1179 -149186.7223 299.4554 -183475.8402 -149088.7015 299.4621 -73.2775 -40.4580 557288.6823 0.4640 0.3421 PRESSURE: 4006000 -82.9185 -194.753 129.959 -194.754 -101.581 52.2606 129.961 52.2599 307.561 GPRESSURE: 4006000 -44.2037 -178.523 115.833 -175.415 -65.2765 102.734 283.998 9.72369 336.252 PRESSAVG: 4006000 -34.5522 54.7343 45.0758 54.7343 1.53649 -3.33245 45.0758 -3.33243 42.2298 GPRESSAVG: 4006000 -35.3191 52.4974 44.8299 55.6455 2.0267 -3.40581 46.4069 -1.00541 42.6132 TIMING: 4006000 CPU: 11602.2, 0.00287712/step Wall: 11602.2, 0.00287712/step, 0.794406 hours remaining, 211.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4006000 740.3337 2119.5568 1968.7609 119.5521 -206518.9468 18038.3775 0.0000 0.0000 34286.6743 -149245.6915 299.4341 -183532.3658 -149147.4805 298.9143 41.0206 75.5906 556219.8009 3.0714 3.1069 PRESSURE: 4006200 -382.532 130.441 -82.3012 130.44 -307.474 -62.5261 -82.3014 -62.5255 -338.125 GPRESSURE: 4006200 -337.885 149.874 -0.0220107 99.0097 -237.195 -168.428 -196.918 -14.3313 -349.185 PRESSAVG: 4006200 -43.2762 -36.175 7.14876 -36.175 -7.34616 18.0928 7.14888 18.0928 32.6525 GPRESSAVG: 4006200 -42.9133 -34.0845 8.22798 -37.2986 -8.2217 19.1843 6.05985 16.5965 33.078 TIMING: 4006200 CPU: 11602.7, 0.00287184/step Wall: 11602.7, 0.00287184/step, 0.792787 hours remaining, 211.062500 MB of memory in use. ENERGY: 4006200 742.7130 2131.4420 1934.3592 113.5566 -205635.6783 17252.1202 0.0000 0.0000 34243.5017 -149217.9856 299.0570 -183461.4872 -149120.4950 299.5215 -342.7105 -308.0880 558239.2538 -5.9899 -6.0190 PRESSURE: 4006400 84.6983 72.3585 47.6781 72.3576 -152.77 -34.9697 47.6789 -34.9707 -145.141 GPRESSURE: 4006400 102.377 113.514 -41.0353 -1.85068 -121.287 -1.33388 159.521 -33.8958 -86.9059 PRESSAVG: 4006400 -41.1408 -9.31043 26.4268 -9.31045 -38.2145 -11.8288 26.4268 -11.8286 40.7182 GPRESSAVG: 4006400 -40.0537 -9.38838 26.9676 -9.36936 -38.7807 -12.1446 26.0031 -13.2595 40.1954 TIMING: 4006400 CPU: 11603.3, 0.0028477/step Wall: 11603.3, 0.0028477/step, 0.785965 hours remaining, 211.062500 MB of memory in use. ENERGY: 4006400 699.1862 2133.1032 1974.1736 106.5979 -206146.4846 17588.1772 0.0000 0.0000 34338.5581 -149306.6884 299.8872 -183645.2465 -149208.6662 298.7219 -71.0708 -35.2721 557865.5962 -12.8790 -12.8796 PRESSURE: 4006600 -224.085 17.6162 -40.4456 17.6142 -119.584 -55.9955 -40.444 -55.9939 -225.138 GPRESSURE: 4006600 -190.565 -5.39135 -124.577 10.2841 -60.8694 -42.0128 60.0229 -39.3983 -220.198 PRESSAVG: 4006600 70.9912 -17.526 -0.718103 -17.526 -59.6024 5.58081 -0.718166 5.58092 -10.6456 GPRESSAVG: 4006600 70.6381 -18.6086 -1.51295 -17.0432 -59.1397 4.36939 -0.935411 7.4039 -10.3646 TIMING: 4006600 CPU: 11603.9, 0.00286968/step Wall: 11603.9, 0.00286968/step, 0.791871 hours remaining, 211.062500 MB of memory in use. ENERGY: 4006600 755.4333 2091.2229 1959.0152 110.6885 -206448.9243 17771.0079 0.0000 0.0000 34239.7107 -149521.8457 299.0239 -183761.5565 -149422.1076 298.2523 -189.6025 -157.2107 557010.5801 0.2477 0.3780 PRESSURE: 4006800 -99.1451 161.107 -139.609 161.107 46.5489 -114.66 -139.61 -114.659 30.422 GPRESSURE: 4006800 -52.4706 223.424 -119.499 107.702 56.7638 -73.9304 -75.5628 -77.9188 75.4053 PRESSAVG: 4006800 19.6632 13.8872 -23.1238 13.8872 -25.5673 38.0138 -23.1238 38.0139 48.4038 GPRESSAVG: 4006800 19.8146 14.615 -21.7148 14.345 -24.3721 39.8564 -22.7053 38.456 47.4537 TIMING: 4006800 CPU: 11604.4, 0.00286896/step Wall: 11604.4, 0.00286896/step, 0.791514 hours remaining, 211.062500 MB of memory in use. ENERGY: 4006800 700.0907 2057.4103 1950.5963 115.3116 -205880.3315 17482.3375 0.0000 0.0000 34126.6489 -149447.9363 298.0365 -183574.5852 -149352.7267 298.2260 -7.3914 26.5662 556568.6025 14.1666 14.2987 PRESSURE: 4007000 -391.648 170.465 -148.728 170.464 -202.255 -86.6974 -148.73 -86.6974 -280.092 GPRESSURE: 4007000 -348.867 190.101 -159.542 212.457 -192.146 -81.7081 -139.4 -166.73 -242.154 PRESSAVG: 4007000 23.0787 -57.13 -56.2555 -57.1299 -19.2918 68.7429 -56.2555 68.7429 37.9684 GPRESSAVG: 4007000 23.0263 -57.4278 -57.0701 -55.9292 -19.9107 67.283 -55.8157 68.626 39.7527 TIMING: 4007000 CPU: 11605, 0.00285219/step Wall: 11605, 0.00285219/step, 0.786729 hours remaining, 211.062500 MB of memory in use. ENERGY: 4007000 737.8200 2082.8813 1953.3291 99.5935 -205775.9118 17205.6361 0.0000 0.0000 34364.5819 -149332.0699 300.1144 -183696.6518 -149238.2989 299.2284 -291.3316 -261.0559 557248.8125 13.9184 14.2895 PRESSURE: 4007200 54.4209 53.1508 81.2518 53.1508 43.2339 30.7316 81.2538 30.7327 -158.419 GPRESSURE: 4007200 148.54 -17.2683 -15.8252 140.502 51.0673 54.823 164.459 49.5436 -162.082 PRESSAVG: 4007200 -15.7421 40.9159 17.4202 40.9158 15.0386 8.15209 17.4202 8.15205 14.9465 GPRESSAVG: 4007200 -15.4673 40.3488 16.0833 40.0582 15.4172 8.17627 17.5655 8.30153 14.7734 TIMING: 4007200 CPU: 11605.6, 0.00285484/step Wall: 11605.6, 0.00285484/step, 0.787301 hours remaining, 211.062500 MB of memory in use. ENERGY: 4007200 750.1645 2053.6699 1965.2790 105.5447 -206381.6974 17829.6858 0.0000 0.0000 34452.5700 -149224.7836 300.8829 -183677.3536 -149124.8682 299.6388 -20.2547 12.5082 556053.4382 4.7477 4.9078 PRESSURE: 4007400 -61.8115 -94.4572 7.84698 -94.4588 -131.333 -132.496 7.8477 -132.496 -115.198 GPRESSURE: 4007400 -74.2895 -90.3352 4.00093 -135.663 -39.4079 -62.7859 26.2935 -102.728 -97.7698 PRESSAVG: 4007400 -14.4851 0.528547 41.648 0.528668 20.2656 49.4566 41.6481 49.4565 42.3312 GPRESSAVG: 4007400 -15.1627 0.592531 42.808 0.347493 21.623 50.7158 39.8415 48.5477 41.6756 TIMING: 4007400 CPU: 11606.2, 0.00287019/step Wall: 11606.2, 0.00287019/step, 0.791375 hours remaining, 211.062500 MB of memory in use. ENERGY: 4007400 814.7879 2063.7901 1947.1536 104.7363 -206069.0221 17644.6942 0.0000 0.0000 34287.6715 -149206.1885 299.4428 -183493.8600 -149108.1104 299.1316 -102.7808 -70.4891 556887.6018 16.0372 16.0453 PRESSURE: 4007600 -40.1415 96.5926 18.3002 96.5921 116.014 59.7484 18.2994 59.7462 -42.2273 GPRESSURE: 4007600 9.67839 129.865 -18.3837 84.5369 135.977 76.3875 -26.1737 58.1066 -19.9497 PRESSAVG: 4007600 14.5796 15.5013 9.67384 15.5013 -1.06153 -24.1992 9.67381 -24.1992 35.4881 GPRESSAVG: 4007600 15.5603 16.0667 9.24915 12.4468 -3.5301 -23.6555 10.7794 -23.1071 37.072 TIMING: 4007600 CPU: 11606.7, 0.00286032/step Wall: 11606.7, 0.00286032/step, 0.788495 hours remaining, 211.062500 MB of memory in use. ENERGY: 4007600 745.6588 2117.1683 1965.4940 105.4673 -205996.9966 17585.6197 0.0000 0.0000 34507.9843 -148969.6043 301.3668 -183477.5885 -148870.6429 299.2845 11.2152 41.9020 556941.6427 16.3354 16.3674 PRESSURE: 4007800 182.52 -58.1629 -93.0231 -58.1627 358.989 -34.0194 -93.0225 -34.018 19.8957 GPRESSURE: 4007800 226.054 -85.4285 -55.3354 -22.9074 370.982 -20.7252 -14.7461 -97.4806 69.6257 PRESSAVG: 4007800 34.1961 -62.5791 -36.8686 -62.5791 -42.4871 22.4765 -36.8685 22.4765 29.1223 GPRESSAVG: 4007800 34.1552 -61.7768 -37.5989 -60.3438 -41.3817 21.0618 -36.7654 23.7259 28.3495 TIMING: 4007800 CPU: 11607.3, 0.00286672/step Wall: 11607.3, 0.00286672/step, 0.7901 hours remaining, 211.062500 MB of memory in use. ENERGY: 4007800 697.4752 2069.4420 1955.0279 122.4416 -205966.8565 17909.3056 0.0000 0.0000 34431.3875 -148781.7768 300.6979 -183213.1642 -148687.7184 300.3491 187.1350 222.2203 557153.2606 6.9437 7.0410 PRESSURE: 4008000 188.903 -95.6202 46.3959 -95.6218 195.312 72.2947 46.3951 72.295 -315.163 GPRESSURE: 4008000 213.165 -56.1465 94.8856 -171.387 236.552 81.2203 64.0075 100.065 -295.841 PRESSAVG: 4008000 30.4269 -26.9744 42.4949 -26.9744 -56.1897 34.0882 42.4949 34.088 3.41563 GPRESSAVG: 4008000 30.9955 -30.4948 43.5705 -25.1346 -55.4109 33.7558 42.1032 33.407 2.52309 TIMING: 4008000 CPU: 11607.9, 0.00287981/step Wall: 11607.9, 0.00287981/step, 0.793548 hours remaining, 211.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4008000 732.4240 2062.4565 1951.6746 112.4813 -205790.7579 17768.1065 0.0000 0.0000 34399.2643 -148764.3507 300.4173 -183163.6150 -148665.7878 300.5021 23.0173 51.2919 558621.7181 -7.4491 -7.2974 PRESSURE: 4008200 211.32 87.5607 -78.7915 87.5624 -131.844 73.2758 -78.7916 73.2761 83.0713 GPRESSURE: 4008200 202.823 117.143 -101.041 45.2256 -108.115 73.1938 -51.5222 38.22 158.377 PRESSAVG: 4008200 61.6909 -36.3482 12.0211 -36.3483 46.8889 38.7315 12.0212 38.7315 -74.294 GPRESSAVG: 4008200 61.8702 -35.218 11.3303 -35.7771 45.6787 40.1515 11.0268 37.8899 -73.6588 TIMING: 4008200 CPU: 11608.5, 0.00284852/step Wall: 11608.5, 0.00284852/step, 0.784769 hours remaining, 211.062500 MB of memory in use. ENERGY: 4008200 718.3298 2099.9968 1951.9706 124.2663 -206302.6101 17924.6303 0.0000 0.0000 34564.5101 -148918.9061 301.8605 -183483.4162 -148822.5724 300.1988 54.1823 84.3614 558085.6143 11.4286 11.2967 LDB: ============= START OF LOAD BALANCING ============== 11611.8 LDB: ============== END OF LOAD BALANCING =============== 11611.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11611.8 LDB: ============= START OF LOAD BALANCING ============== 11612.1 LDB: Largest compute 4792 load 0.025142 is 21.3% of average load 0.118064 LDB: Average compute 0.001735 is 1.5% of average load 0.118064 LDB: TIME 11612.1 LOAD: AVG 0.118064 MAX 0.17877 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.328 MB LDB: TIME 11612.1 LOAD: AVG 0.118064 MAX 0.17877 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: TIME 11612.1 LOAD: AVG 0.118064 MAX 0.17877 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: ============== END OF LOAD BALANCING =============== 11612.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11612.1 PRESSURE: 4008400 2.76496 -30.8525 66.2136 -30.8529 58.1435 0.997726 66.2142 0.996874 -53.9838 GPRESSURE: 4008400 64.6117 -36.2545 101.004 20.3566 84.9437 34.5492 -2.04851 36.4526 -45.4898 PRESSAVG: 4008400 30.9705 14.0135 -2.92704 14.0136 -3.54608 57.0766 -2.92712 57.0766 -28.6042 GPRESSAVG: 4008400 30.3864 13.7341 -0.972019 13.4276 -2.94739 56.2384 -3.38272 58.3884 -29.016 TIMING: 4008400 CPU: 11609, 0.00292169/step Wall: 11609, 0.00292169/step, 0.804763 hours remaining, 210.863281 MB of memory in use. ENERGY: 4008400 737.7464 2063.3874 1947.2832 111.2642 -206088.0060 17800.7852 0.0000 0.0000 34453.0779 -148974.4616 300.8873 -183427.5395 -148878.6511 299.6789 2.3082 34.6885 558362.9486 -0.3933 -0.5257 PRESSURE: 4008600 -182.236 119.428 35.3134 119.427 -347.347 -8.76045 35.3138 -8.75962 -146.857 GPRESSURE: 4008600 -176.233 16.4652 87.9723 143.035 -287.39 -14.7958 11.4702 86.7319 -123.706 PRESSAVG: 4008600 40.4049 2.59066 4.56018 2.59061 -9.03658 44.1994 4.56024 44.1995 -14.9661 GPRESSAVG: 4008600 40.3785 0.712601 3.88013 4.52389 -8.49935 43.2809 5.40584 42.8206 -15.0082 TIMING: 4008600 CPU: 11609.6, 0.00287876/step Wall: 11609.6, 0.00287876/step, 0.792779 hours remaining, 210.863281 MB of memory in use. ENERGY: 4008600 756.3573 2125.0579 1927.4328 119.9322 -205745.4605 17422.1458 0.0000 0.0000 34196.6650 -149197.8696 298.6480 -183394.5346 -149104.8666 299.1672 -225.4800 -195.7763 558893.6127 5.4674 5.6237 PRESSURE: 4008800 165.927 -1.3462 -5.82063 -1.3464 251.964 -64.4871 -5.82036 -64.4863 -106.566 GPRESSURE: 4008800 171.505 -109.564 -29.6654 74.1382 275.322 -200.863 -88.0989 -0.586391 -37.2645 PRESSAVG: 4008800 -80.1946 10.4524 16.1361 10.4525 92.4781 13.5907 16.1361 13.5907 -39.9702 GPRESSAVG: 4008800 -80.573 13.1439 13.5739 7.50432 91.5662 14.5995 17.022 13.637 -38.8082 TIMING: 4008800 CPU: 11610.2, 0.00287409/step Wall: 11610.2, 0.00287409/step, 0.791332 hours remaining, 211.062500 MB of memory in use. ENERGY: 4008800 720.4354 2095.8345 1944.3520 135.5120 -206562.3579 18059.0816 0.0000 0.0000 34497.6898 -149109.4526 301.2769 -183607.1424 -148999.8440 299.1724 103.7752 136.5207 557721.0001 -9.2289 -9.2716 PRESSURE: 4009000 -220.662 -52.1178 4.59294 -52.1186 50.662 121.525 4.59306 121.525 2.8052 GPRESSURE: 4009000 -169.061 -47.9813 -26.6363 3.62231 54.4835 126.99 25.5016 97.4103 54.858 PRESSAVG: 4009000 0.122048 5.08562 13.2048 5.08562 -19.8036 12.6054 13.2048 12.6054 55.0295 GPRESSAVG: 4009000 0.691205 4.60115 13.9138 7.30973 -19.7211 12.0059 13.3189 13.4077 54.2315 TIMING: 4009000 CPU: 11610.8, 0.00287478/step Wall: 11610.8, 0.00287478/step, 0.791362 hours remaining, 211.062500 MB of memory in use. ENERGY: 4009000 767.1192 2056.6760 1951.8321 112.3775 -206183.8553 17758.4039 0.0000 0.0000 34482.2579 -149055.1887 301.1421 -183537.4466 -148953.1891 299.5901 -55.7315 -19.9066 558051.5570 11.7827 11.7339 PRESSURE: 4009200 337.037 -105.758 -5.45202 -105.758 243.168 -23.1929 -5.45294 -23.1925 -24.2799 GPRESSURE: 4009200 453.667 -106.567 58.1972 -47.8578 215.985 62.1657 -29.3978 -130.937 -13.2777 PRESSAVG: 4009200 -14.0428 15.024 3.52087 15.024 -8.80694 8.59993 3.52085 8.60009 -35.3047 GPRESSAVG: 4009200 -13.4705 13.9137 3.0338 15.4625 -9.20674 7.82478 4.25824 7.7568 -34.8896 TIMING: 4009200 CPU: 11611.3, 0.00286557/step Wall: 11611.3, 0.00286557/step, 0.788668 hours remaining, 211.062500 MB of memory in use. ENERGY: 4009200 749.8209 2143.8391 1931.1295 105.3907 -206504.5808 18126.5502 0.0000 0.0000 34280.7983 -149167.0522 299.3827 -183447.8505 -149065.0626 300.1579 185.3085 218.7914 556417.2081 -19.3848 -19.1889 PRESSURE: 4009400 -234.14 -71.211 -55.1483 -71.2105 96.0653 20.989 -55.1487 20.9894 -137.251 GPRESSURE: 4009400 -202.565 -59.9879 -68.8944 -103.781 127.861 60.5969 -26.3419 -29.0553 -97.6548 PRESSAVG: 4009400 -24.0833 8.4352 9.69749 8.43518 36.2181 16.7256 9.69748 16.7256 -3.89019 GPRESSAVG: 4009400 -24.346 7.85966 12.9919 9.57424 37.1814 17.6761 6.65359 16.9306 -4.43154 TIMING: 4009400 CPU: 11611.9, 0.00285428/step Wall: 11611.9, 0.00285428/step, 0.785402 hours remaining, 211.062500 MB of memory in use. ENERGY: 4009400 736.0002 2063.9926 1939.9836 113.2348 -205635.4729 17529.1314 0.0000 0.0000 34465.2237 -148787.9066 300.9934 -183253.1303 -148686.7247 300.2426 -91.7752 -57.4530 558383.1848 2.7482 2.8013 PRESSURE: 4009600 368.521 130.063 15.0399 130.064 373.505 58.6008 15.0395 58.6015 131.171 GPRESSURE: 4009600 386.996 151.103 -39.6321 90.6847 390.627 157.975 124.523 42.0848 197.104 PRESSAVG: 4009600 -5.92441 0.394575 -2.61111 0.394495 7.32023 13.2981 -2.61113 13.298 -6.315 GPRESSAVG: 4009600 -4.87516 1.78635 -3.66232 -2.69719 7.25683 13.2669 -2.70888 13.0772 -6.4984 TIMING: 4009600 CPU: 11612.5, 0.00284742/step Wall: 11612.5, 0.00284742/step, 0.783357 hours remaining, 211.062500 MB of memory in use. ENERGY: 4009600 761.8591 2094.9578 1933.7086 100.4929 -206159.0993 18113.6543 0.0000 0.0000 34489.1182 -148665.3085 301.2020 -183154.4267 -148572.2045 300.5271 291.0655 324.9088 555960.8505 -1.6397 -1.3722 PRESSURE: 4009800 -38.7721 77.6438 51.4564 77.6424 -142.558 66.2132 51.457 66.2127 32.6387 GPRESSURE: 4009800 -22.9793 7.59267 15.979 81.474 -109.661 30.4159 53.5464 141.556 77.5885 PRESSAVG: 4009800 1.51381 -24.7452 -0.15042 -24.7451 -11.6177 42.6934 -0.150383 42.6934 24.0651 GPRESSAVG: 4009800 1.40967 -28.1841 -0.855832 -21.4631 -12.2524 41.0447 2.03009 44.6541 25.3529 TIMING: 4009800 CPU: 11613, 0.0028549/step Wall: 11613, 0.0028549/step, 0.785255 hours remaining, 211.062500 MB of memory in use. ENERGY: 4009800 714.2517 2082.6669 1944.1663 119.4362 -205163.2023 17353.8301 0.0000 0.0000 34132.9590 -148815.8921 298.0916 -182948.8511 -148720.4020 300.6365 -49.5638 -18.3506 557440.3351 4.6538 4.8367 PRESSURE: 4010000 -183.322 -99.3814 -188.305 -99.3814 -257.396 89.9432 -188.305 89.9427 -63.4738 GPRESSURE: 4010000 -158.133 -73.3376 -197.201 -197.098 -227.982 70.5952 -245.603 26.054 -25.6303 PRESSAVG: 4010000 -11.7667 -52.0802 69.6227 -52.0801 53.6352 51.9486 69.6227 51.9486 -35.0697 GPRESSAVG: 4010000 -12.1225 -49.2341 67.9333 -54.2705 54.4398 55.1611 69.0752 47.1276 -35.8949 TIMING: 4010000 CPU: 11613.6, 0.00287251/step Wall: 11613.6, 0.00287251/step, 0.789942 hours remaining, 211.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4010000 794.9339 2026.3188 1943.6146 108.3868 -205663.5086 17541.5421 0.0000 0.0000 34503.5010 -148745.2115 301.3277 -183248.7125 -148648.7481 301.0523 -168.0638 -137.2483 557662.4149 2.2663 2.1408 PRESSURE: 4010200 83.1311 -106.448 41.8811 -106.448 -11.0276 140.671 41.8835 140.672 178.578 GPRESSURE: 4010200 41.8258 -101.477 18.2189 -67.2529 90.7961 48.3274 -37.4913 137.541 218.809 PRESSAVG: 4010200 -35.3909 -12.754 31.431 -12.7539 -17.0984 69.9249 31.431 69.9249 78.0806 GPRESSAVG: 4010200 -35.2673 -10.2957 32.2404 -13.5946 -16.2969 66.3536 30.8626 75.1003 76.7212 TIMING: 4010200 CPU: 11614.2, 0.00288259/step Wall: 11614.2, 0.00288259/step, 0.792552 hours remaining, 211.062500 MB of memory in use. ENERGY: 4010200 704.9213 2111.7980 1959.0885 113.4413 -206292.5878 17825.6728 0.0000 0.0000 34835.1105 -148742.5555 304.2237 -183577.6660 -148640.0093 301.0968 83.5605 117.1438 556283.6727 8.5304 8.3857 PRESSURE: 4010400 -188.428 -56.9055 186.056 -56.9055 16.2157 127.497 186.056 127.499 117.494 GPRESSURE: 4010400 -184.615 2.62918 147.174 -146.997 79.6091 126.067 100.019 85.7686 143.559 PRESSAVG: 4010400 -49.5245 -35.9336 -24.8251 -35.9337 50.1828 -14.0301 -24.8251 -14.0301 -1.15731 GPRESSAVG: 4010400 -48.9524 -36.1818 -24.731 -36.302 49.539 -10.961 -25.098 -16.9548 -1.6178 TIMING: 4010400 CPU: 11614.8, 0.00286301/step Wall: 11614.8, 0.00286301/step, 0.787011 hours remaining, 211.062500 MB of memory in use. ENERGY: 4010400 767.0547 2066.4220 1935.7632 118.3275 -206229.2434 17803.6278 0.0000 0.0000 34547.8789 -148990.1692 301.7152 -183538.0482 -148890.9807 300.5343 -18.2394 12.8510 556208.8392 -0.1663 -0.3437 PRESSURE: 4010600 -126.782 -9.75432 100.805 -9.75408 -319.285 33.3817 100.805 33.3816 -60.6877 GPRESSURE: 4010600 -124.936 -49.346 24.085 16.39 -264.947 5.4188 145.486 41.3417 -30.4019 PRESSAVG: 4010600 -49.5553 4.88326 0.843222 4.88323 8.80079 -9.46553 0.843139 -9.46569 42.1236 GPRESSAVG: 4010600 -49.9084 5.00847 3.95666 3.17634 8.68421 -10.2188 0.467551 -8.49042 42.8636 TIMING: 4010600 CPU: 11615.4, 0.00289857/step Wall: 11615.4, 0.00289857/step, 0.796625 hours remaining, 211.062500 MB of memory in use. ENERGY: 4010600 722.2807 2068.9311 1934.9545 120.3878 -205592.5472 17551.3506 0.0000 0.0000 34398.0404 -148796.6021 300.4066 -183194.6425 -148694.7054 300.0966 -168.9182 -140.0947 558010.6058 0.4564 0.5465 PRESSURE: 4010800 -134.768 52.2749 -87.1161 52.2761 294.769 82.0847 -87.1161 82.0845 232.919 GPRESSURE: 4010800 -81.954 118.88 -98.4366 9.57249 318.734 105.941 -12.9042 32.012 256.694 PRESSAVG: 4010800 13.2884 -46.2613 23.2893 -46.2613 -12.8408 1.25345 23.2893 1.25349 -41.2049 GPRESSAVG: 4010800 12.7361 -47.4635 20.7788 -44.3115 -13.3353 0.493039 23.4226 1.49396 -40.6186 TIMING: 4010800 CPU: 11615.9, 0.00288729/step Wall: 11615.9, 0.00288729/step, 0.793364 hours remaining, 211.062500 MB of memory in use. ENERGY: 4010800 741.0343 2065.1864 1952.1778 118.9642 -206140.5599 17823.4690 0.0000 0.0000 34627.5230 -148812.2051 302.4108 -183439.7281 -148717.7192 301.1954 130.9734 164.4914 557135.0169 -13.5858 -13.7393 PRESSURE: 4011000 -120.27 -43.2332 -49.4655 -43.2341 -202.218 -215.413 -49.4655 -215.413 -202.293 GPRESSURE: 4011000 -89.0013 -5.05352 39.607 -92.8136 -175.816 -141.895 -68.0773 -275.192 -163.469 PRESSAVG: 4011000 19.4003 -37.4674 25.0114 -37.4674 58.6792 -40.265 25.0115 -40.265 -22.1148 GPRESSAVG: 4011000 18.7905 -40.1504 25.4295 -35.2795 58.6665 -39.8903 24.0163 -38.6647 -21.3512 TIMING: 4011000 CPU: 11616.5, 0.00289575/step Wall: 11616.5, 0.00289575/step, 0.795528 hours remaining, 211.062500 MB of memory in use. ENERGY: 4011000 781.6510 2071.0687 1960.0463 107.6030 -205738.1876 17461.6844 0.0000 0.0000 34606.2345 -148749.8997 302.2249 -183356.1342 -148651.2050 300.9359 -174.9270 -142.7620 556752.3941 18.6549 18.7019 PRESSURE: 4011200 -71.0783 77.5606 -135.796 77.5608 -200.031 -66.9962 -135.796 -66.9948 89.7806 GPRESSURE: 4011200 -24.4926 68.6681 -114.224 56.4226 -198.115 16.1755 -186.281 -61.668 129.986 PRESSAVG: 4011200 12.4267 3.59622 15.3648 3.59632 -32.991 -22.3894 15.3647 -22.3894 -23.417 GPRESSAVG: 4011200 13.3628 5.00863 16.4246 4.27011 -33.7824 -21.1218 15.7013 -22.6568 -24.3571 TIMING: 4011200 CPU: 11617.1, 0.00288245/step Wall: 11617.1, 0.00288245/step, 0.791713 hours remaining, 211.062500 MB of memory in use. ENERGY: 4011200 723.7524 2087.9113 1937.7522 124.3820 -205819.7106 17678.9601 0.0000 0.0000 34591.5277 -148675.4249 302.0964 -183266.9527 -148577.5817 300.9758 -60.4430 -30.8740 558638.8575 -14.6604 -14.9255 PRESSURE: 4011400 9.25945 19.4526 -31.0027 19.4522 83.2865 -31.5897 -31.0033 -31.5908 -31.0947 GPRESSURE: 4011400 53.1964 132.911 -54.8052 -35.5697 84.2825 -37.5934 -27.2249 -18.4218 18.1735 PRESSAVG: 4011400 -69.3329 -19.2925 4.51252 -19.2924 -18.5207 -23.4114 4.51257 -23.4114 23.1248 GPRESSAVG: 4011400 -69.8451 -17.8181 2.53518 -20.7608 -18.7153 -23.239 6.81694 -24.5622 23.6856 TIMING: 4011400 CPU: 11617.7, 0.00285375/step Wall: 11617.7, 0.00285375/step, 0.783672 hours remaining, 211.062500 MB of memory in use. ENERGY: 4011400 759.9669 2063.3324 1940.3835 121.0652 -206029.1318 17736.8044 0.0000 0.0000 34469.8030 -148937.7765 301.0334 -183407.5794 -148842.7051 300.2908 20.4838 51.8842 557463.8138 -21.5763 -21.6249 PRESSURE: 4011600 117.698 55.4669 -75.1892 55.4664 110.152 -47.8357 -75.1897 -47.8361 -10.5788 GPRESSURE: 4011600 178.278 3.18668 -115.499 37.8826 136.538 -37.3156 -47.0071 -17.1247 -6.46935 PRESSAVG: 4011600 23.3031 36.3664 36.4365 36.3663 -18.1074 1.29994 36.4365 1.29989 -6.39382 GPRESSAVG: 4011600 22.9107 36.6942 37.0772 35.6038 -17.6761 -1.93591 35.1735 2.22219 -6.35329 TIMING: 4011600 CPU: 11618.2, 0.00285337/step Wall: 11618.2, 0.00285337/step, 0.783408 hours remaining, 211.062500 MB of memory in use. ENERGY: 4011600 753.5693 2091.9731 1945.4391 115.8754 -205829.0673 17843.7354 0.0000 0.0000 34207.5768 -148870.8982 298.7433 -183078.4750 -148776.7477 299.5842 72.4239 102.7820 557623.0148 -0.3994 -0.3729 PRESSURE: 4011800 -123.712 -40.5272 143.831 -40.5262 -29.9288 -33.1049 143.83 -33.1037 -127.065 GPRESSURE: 4011800 -139.59 -86.6819 55.9562 57.063 -13.6307 42.215 250.909 -101.984 -32.5543 PRESSAVG: 4011800 -32.2547 37.9657 -50.7547 37.9657 -31.3749 18.6256 -50.7546 18.6255 17.4869 GPRESSAVG: 4011800 -31.9868 38.2089 -49.3966 35.9652 -30.8551 19.9457 -51.9149 18.6056 17.08 TIMING: 4011800 CPU: 11618.8, 0.00288184/step Wall: 11618.8, 0.00288184/step, 0.791065 hours remaining, 211.062500 MB of memory in use. ENERGY: 4011800 763.6833 2089.1159 1958.6326 109.8983 -205620.1013 17674.2012 0.0000 0.0000 34284.7159 -148739.8540 299.4170 -183024.5700 -148645.0430 300.3150 -93.5686 -61.9250 558966.6629 -15.3809 -15.2540 PRESSURE: 4012000 81.7894 0.542527 179.828 0.542823 -55.4707 67.0745 179.828 67.0738 48.6003 GPRESSURE: 4012000 116.614 61.4865 114.109 -35.5913 -17.5669 19.3524 177.046 46.6548 81.3116 PRESSAVG: 4012000 0.398618 33.9638 19.5515 33.9639 -16.5706 67.6195 19.5515 67.6195 11.2305 GPRESSAVG: 4012000 1.29689 32.7913 19.2706 36.0582 -17.3525 67.0631 19.8894 67.5378 11.197 TIMING: 4012000 CPU: 11619.4, 0.00287305/step Wall: 11619.4, 0.00287305/step, 0.788493 hours remaining, 211.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4012000 762.0275 2120.2982 1938.5328 95.5170 -205966.5337 17845.3749 0.0000 0.0000 34305.7181 -148899.0652 299.6004 -183204.7833 -148799.2335 300.7993 24.9730 60.1195 555879.5775 -1.6472 -1.6195 PRESSURE: 4012200 28.4023 43.2463 130.974 43.2465 -183.544 32.3579 130.974 32.3591 -251.019 GPRESSURE: 4012200 41.1137 38.8011 42.5146 74.3199 -102.004 21.7662 170.981 -4.2181 -240.361 PRESSAVG: 4012200 -40.4078 53.1886 22.6912 53.1886 14.3451 47.9114 22.6913 47.9115 41.0602 GPRESSAVG: 4012200 -40.6527 51.6261 21.5788 54.2958 14.5475 48.9968 21.5647 45.586 41.2918 TIMING: 4012200 CPU: 11620, 0.00288579/step Wall: 11620, 0.00288579/step, 0.79183 hours remaining, 211.062500 MB of memory in use. ENERGY: 4012200 765.7035 2190.0449 1968.5475 122.1391 -205654.3983 17478.8805 0.0000 0.0000 34250.4002 -148878.6827 299.1173 -183129.0829 -148781.9558 301.3168 -135.3870 -100.4172 556116.5197 4.9992 5.0622 LDB: ============= START OF LOAD BALANCING ============== 11623.3 LDB: ============== END OF LOAD BALANCING =============== 11623.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11623.3 LDB: ============= START OF LOAD BALANCING ============== 11623.6 LDB: Largest compute 4792 load 0.024322 is 20.6% of average load 0.118153 LDB: Average compute 0.001734 is 1.5% of average load 0.118153 LDB: TIME 11623.6 LOAD: AVG 0.118153 MAX 0.179837 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.809 MB LDB: TIME 11623.6 LOAD: AVG 0.118153 MAX 0.179837 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.879 MB LDB: TIME 11623.6 LOAD: AVG 0.118153 MAX 0.179837 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.879 MB LDB: ============== END OF LOAD BALANCING =============== 11623.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11623.6 PRESSURE: 4012400 66.3285 114.548 11.5225 114.549 -110.151 11.3537 11.5225 11.3554 29.2784 GPRESSURE: 4012400 103.657 149.655 7.44572 70.5515 -78.1945 -63.494 23.5273 157.995 43.1935 PRESSAVG: 4012400 -22.1622 69.179 36.1118 69.179 -9.18808 26.0838 36.1118 26.0839 22.5247 GPRESSAVG: 4012400 -22.0365 68.9436 36.4366 68.858 -9.85665 26.0176 36.9982 27.134 22.8865 TIMING: 4012400 CPU: 11620.5, 0.00292927/step Wall: 11620.5, 0.00292927/step, 0.803597 hours remaining, 211.375000 MB of memory in use. ENERGY: 4012400 731.6832 2134.8895 1967.0784 122.2876 -205867.9494 17682.6604 0.0000 0.0000 34390.1905 -148839.1598 300.3381 -183229.3503 -148737.2088 300.8562 -4.8480 22.8853 557791.2327 -2.9419 -3.0022 PRESSURE: 4012600 -28.8208 -146.29 -96.5096 -146.291 -239.031 -130.827 -96.5092 -130.827 -31.2494 GPRESSURE: 4012600 -59.9961 -191.252 -160.201 -129.333 -169.43 -96.2437 -98.5016 -179.085 12.7627 PRESSAVG: 4012600 -5.60415 62.3717 31.9803 62.3716 -19.3691 15.2915 31.9804 15.2917 -20.6511 GPRESSAVG: 4012600 -7.38359 64.792 32.7463 59.8635 -17.9777 13.1833 32.0444 16.8609 -20.9076 TIMING: 4012600 CPU: 11621.1, 0.00287346/step Wall: 11621.1, 0.00287346/step, 0.788126 hours remaining, 211.375000 MB of memory in use. ENERGY: 4012600 748.6314 2148.1770 1962.6773 98.7408 -205514.9339 17436.0758 0.0000 0.0000 34228.6635 -148891.9680 298.9274 -183120.6315 -148784.6546 300.4715 -99.7005 -72.2212 559057.7948 -15.2081 -15.4230 PRESSURE: 4012800 -71.7089 -54.1102 195.524 -54.1099 234.534 70.5917 195.523 70.5934 -166.242 GPRESSURE: 4012800 9.98803 -43.4906 215.47 -82.4595 219.634 94.2613 166.939 30.1807 -139.228 PRESSAVG: 4012800 -31.9984 39.3447 24.8931 39.3448 63.7257 19.2429 24.8931 19.243 -5.20629 GPRESSAVG: 4012800 -31.2586 39.8623 23.233 40.0645 63.8294 20.7049 26.3277 17.1714 -5.22305 TIMING: 4012800 CPU: 11621.7, 0.00288579/step Wall: 11621.7, 0.00288579/step, 0.791348 hours remaining, 211.375000 MB of memory in use. ENERGY: 4012800 780.3973 2060.4043 1984.3324 118.1433 -206066.1953 17909.6970 0.0000 0.0000 34157.8950 -149055.3260 298.3094 -183213.2210 -148958.8108 299.5141 -1.1388 30.1313 557240.3367 8.8403 9.1159 PRESSURE: 4013000 140.285 16.9672 23.8317 16.9677 -124.783 -33.2305 23.8314 -33.2314 -41.8575 GPRESSURE: 4013000 212.146 1.40797 12.5132 18.0471 -109.528 -53.6498 -18.1714 -1.84859 -26.4481 PRESSAVG: 4013000 60.4207 -38.4828 10.0003 -38.4827 33.1573 -29.6857 10.0002 -29.6856 -44.9311 GPRESSAVG: 4013000 60.3257 -39.4899 13.8465 -38.4439 33.1372 -30.1422 8.64999 -29.2058 -44.7497 TIMING: 4013000 CPU: 11622.3, 0.00289669/step Wall: 11622.3, 0.00289669/step, 0.794175 hours remaining, 211.375000 MB of memory in use. ENERGY: 4013000 728.4223 2111.7484 1956.6365 106.7924 -206203.8468 17954.3445 0.0000 0.0000 34222.1778 -149123.7250 298.8708 -183345.9027 -149023.6723 299.7174 -8.7850 25.3901 559498.8361 16.2156 16.2378 PRESSURE: 4013200 -136.009 -63.9285 -33.6433 -63.9287 400.668 -200.062 -33.6438 -200.062 -306.46 GPRESSURE: 4013200 -111.484 -33.8807 32.6191 -133.566 376.78 -171.442 -57.2715 -179.467 -210.672 PRESSAVG: 4013200 -16.4285 -49.3708 22.3289 -49.3707 26.6788 -35.3239 22.3288 -35.3241 7.2822 GPRESSAVG: 4013200 -16.7763 -48.4387 19.9233 -48.6937 27.2484 -34.7632 23.2183 -34.7927 6.58229 TIMING: 4013200 CPU: 11622.8, 0.00287101/step Wall: 11622.8, 0.00287101/step, 0.786976 hours remaining, 211.375000 MB of memory in use. ENERGY: 4013200 736.1912 2159.6445 1960.5449 130.9852 -206200.6543 17754.3706 0.0000 0.0000 34343.1910 -149115.7270 299.9276 -183458.9180 -149011.2439 299.4182 -13.9337 18.2078 558404.3591 5.8442 5.6848 PRESSURE: 4013400 208.537 -75.3316 67.974 -75.3312 -60.1071 -120.274 67.9736 -120.275 -186.246 GPRESSURE: 4013400 184.954 -45.0924 92.1004 -74.1862 -25.5701 -92.6521 9.4882 -176.898 -97.8924 PRESSAVG: 4013400 8.88873 -14.6345 -0.647589 -14.6345 3.43032 -101.463 -0.647643 -101.463 -19.4996 GPRESSAVG: 4013400 9.80784 -15.1234 -0.0732294 -16.0322 2.43018 -101.284 -1.19718 -102.931 -19.5438 TIMING: 4013400 CPU: 11623.4, 0.00286989/step Wall: 11623.4, 0.00286989/step, 0.786509 hours remaining, 211.375000 MB of memory in use. ENERGY: 4013400 754.1725 2137.1504 1978.5556 119.4814 -206322.9553 17785.3791 0.0000 0.0000 34388.9527 -149159.2636 300.3273 -183548.2163 -149059.2090 299.8069 -12.6057 20.4973 557882.9569 -2.3935 -2.4353 PRESSURE: 4013600 141.924 -55.4698 -5.56677 -55.4694 -86.2848 -72.3121 -5.56742 -72.3105 -83.0876 GPRESSURE: 4013600 169.347 -0.263242 -45.882 -142.085 -58.4168 -139.358 43.9514 -27.741 -38.039 PRESSAVG: 4013600 55.0589 -5.87487 12.8577 -5.8748 -11.9972 -72.9546 12.8577 -72.9545 -23.0611 GPRESSAVG: 4013600 54.7694 -7.8528 16.3992 -3.1345 -11.9969 -72.8463 12.537 -71.7782 -22.8928 TIMING: 4013600 CPU: 11624, 0.00285818/step Wall: 11624, 0.00285818/step, 0.783142 hours remaining, 211.375000 MB of memory in use. ENERGY: 4013600 709.3196 2098.2397 1959.2910 123.5796 -205984.7938 17649.5375 0.0000 0.0000 34217.0506 -149227.7758 298.8260 -183444.8264 -149125.3993 299.3515 -9.1496 24.2972 558102.7986 6.6669 6.6266 PRESSURE: 4013800 61.9002 90.5123 50.9682 90.5126 -84.8864 -43.3455 50.968 -43.3449 41.6986 GPRESSURE: 4013800 101.479 177.997 60.9496 63.5036 -50.616 7.21351 99.6828 -145.451 53.6233 PRESSAVG: 4013800 55.347 36.6587 51.1212 36.6588 -16.0772 -58.5596 51.1213 -58.5596 -71.059 GPRESSAVG: 4013800 55.982 37.8897 49.065 33.6211 -16.838 -57.2478 50.7827 -61.0981 -71.5812 TIMING: 4013800 CPU: 11624.6, 0.00288569/step Wall: 11624.6, 0.00288569/step, 0.790518 hours remaining, 211.375000 MB of memory in use. ENERGY: 4013800 739.5627 2106.0811 1952.2898 118.6951 -206414.1751 17824.1499 0.0000 0.0000 34541.3652 -149132.0313 301.6583 -183673.3966 -149033.3812 299.7031 6.2375 34.8286 557140.5526 -10.5964 -10.8124 PRESSURE: 4014000 -195.944 -117.402 -62.1429 -117.403 -21.2454 44.1068 -62.145 44.1069 -33.375 GPRESSURE: 4014000 -117.543 -123.031 -136.633 -65.1015 3.33237 48.8898 -11.6543 49.7352 -26.6901 PRESSAVG: 4014000 64.2019 -43.1487 5.22369 -43.1487 -47.6074 2.10449 5.22361 2.1045 -6.15364 GPRESSAVG: 4014000 64.5955 -43.0621 1.57618 -42.8027 -46.811 2.53456 6.36184 1.9101 -6.98468 TIMING: 4014000 CPU: 11625.1, 0.00287633/step Wall: 11625.1, 0.00287633/step, 0.787795 hours remaining, 211.375000 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: 4014000 742.2836 2074.7734 1946.7211 103.7799 -205767.9618 17494.8871 0.0000 0.0000 34181.6097 -149223.9070 298.5165 -183405.5167 -149117.8133 299.6157 -83.5213 -46.9668 555944.2071 3.4803 3.5999 PRESSURE: 4014200 86.5973 -17.8526 163.597 -17.8524 169.567 152.418 163.598 152.419 238.076 GPRESSURE: 4014200 142.862 0.698311 75.0411 -95.3325 257.588 97.4088 162.954 108.802 204.876 PRESSAVG: 4014200 -5.735 32.0685 9.45654 32.0685 15.6858 0.48548 9.45663 0.485423 -34.9223 GPRESSAVG: 4014200 -6.22534 31.7662 11.9357 32.0147 15.9955 -2.02179 9.3255 2.93629 -35.0926 TIMING: 4014200 CPU: 11625.7, 0.00289543/step Wall: 11625.7, 0.00289543/step, 0.792866 hours remaining, 211.375000 MB of memory in use. ENERGY: 4014200 715.7412 2083.2376 1944.1773 120.8564 -206262.8678 17886.0701 0.0000 0.0000 34444.5783 -149068.2069 300.8131 -183512.7852 -148963.1203 299.2396 164.7468 201.7755 556605.8747 -8.3238 -8.4408 PRESSURE: 4014400 -53.0903 15.8648 0.0216835 15.865 337.649 29.5789 0.024381 29.5787 -51.558 GPRESSURE: 4014400 -27.4336 75.6205 59.7609 89.5044 405.604 8.99768 10.7114 53.7056 -48.636 PRESSAVG: 4014400 16.1326 2.77231 45.2466 2.77236 57.9359 -0.235282 45.2466 -0.235215 -84.5088 GPRESSAVG: 4014400 16.5478 1.99026 45.2842 4.67744 57.8755 -0.298583 45.1701 -0.213505 -85.4146 TIMING: 4014400 CPU: 11626.3, 0.00290501/step Wall: 11626.3, 0.00290501/step, 0.795328 hours remaining, 211.375000 MB of memory in use. ENERGY: 4014400 727.2380 2158.9488 1941.1165 108.7806 -206644.6802 18145.5837 0.0000 0.0000 34656.1265 -148906.8860 302.6606 -183563.0126 -148803.9801 300.1085 77.6669 109.8450 558992.1899 -3.4801 -3.6638 PRESSURE: 4014600 277.846 -89.5715 -60.2561 -89.5725 -68.7598 -115.185 -60.2553 -115.185 371.992 GPRESSURE: 4014600 277.133 -37.6522 -27.8382 -72.2783 -69.8503 -85.4004 -82.4872 -157.154 470.118 PRESSAVG: 4014600 -26.0702 -21.6843 -3.99532 -21.6843 2.21024 -0.295623 -3.99531 -0.295522 4.78414 GPRESSAVG: 4014600 -26.3196 -20.3417 -3.75457 -24.2696 1.5981 1.67101 -4.47821 -3.38132 5.71436 TIMING: 4014600 CPU: 11626.9, 0.00287636/step Wall: 11626.9, 0.00287636/step, 0.787322 hours remaining, 211.375000 MB of memory in use. ENERGY: 4014600 741.9179 2054.6368 1968.8761 111.5525 -206346.2735 18014.9857 0.0000 0.0000 34481.9661 -148972.3384 301.1396 -183454.3045 -148874.8026 300.4906 193.6927 225.8003 559044.0498 -6.3586 -6.3357 PRESSURE: 4014800 -205.037 82.8404 -124.757 82.8405 -292.607 -112.993 -124.757 -112.993 -303.201 GPRESSURE: 4014800 -161.974 110.25 -92.7523 -13.6824 -244.198 -158.135 -200.084 -38.4496 -285.645 PRESSAVG: 4014800 -27.5398 53.0932 1.87405 53.0933 -10.9344 -78.0828 1.87398 -78.0828 15.9555 GPRESSAVG: 4014800 -27.1715 51.4594 0.532018 54.4223 -11.4665 -80.1722 3.4124 -76.0729 16.2552 TIMING: 4014800 CPU: 11627.5, 0.00286781/step Wall: 11627.5, 0.00286781/step, 0.784825 hours remaining, 211.375000 MB of memory in use. ENERGY: 4014800 757.2937 2092.7733 1963.5638 110.5365 -205980.5696 17491.5857 0.0000 0.0000 34363.4107 -149201.4058 300.1042 -183564.8165 -149100.2164 299.8954 -266.9483 -230.6059 560355.7653 -7.5062 -7.4610 PRESSURE: 4015000 348.142 150.059 -78.7259 150.057 188.112 99.0553 -78.7257 99.0569 54.2797 GPRESSURE: 4015000 427.482 174.067 -124.876 46.3752 197.62 63.9646 -100.596 86.1325 68.6425 PRESSAVG: 4015000 11.5998 16.793 10.4081 16.7929 -32.3767 19.2094 10.4081 19.2095 -22.3359 GPRESSAVG: 4015000 10.3885 15.5617 10.7864 17.1962 -31.4047 21.6973 10.4535 16.4711 -23.179 TIMING: 4015000 CPU: 11628, 0.00286933/step Wall: 11628, 0.00286933/step, 0.785082 hours remaining, 211.375000 MB of memory in use. ENERGY: 4015000 756.7417 2068.6016 1952.2307 113.1972 -206204.9710 18086.9668 0.0000 0.0000 34248.0300 -148979.2031 299.0966 -183227.2331 -148886.2409 299.0322 196.8443 231.2484 558575.5840 -14.3709 -14.7317 PRESSURE: 4015200 24.2903 60.7991 -59.7318 60.7987 -299.155 41.7282 -59.7319 41.7317 -11.7612 GPRESSURE: 4015200 61.9755 27.8281 -59.8295 87.5837 -190.84 31.7592 -25.6336 36.2492 -45.686 PRESSAVG: 4015200 -21.6659 15.5995 -14.7294 15.5995 42.46 32.1009 -14.7295 32.1008 -20.5696 GPRESSAVG: 4015200 -21.5751 17.4142 -14.6498 16.7656 42.5861 32.5663 -15.3511 33.2798 -20.4427 TIMING: 4015200 CPU: 11628.6, 0.00287141/step Wall: 11628.6, 0.00287141/step, 0.785491 hours remaining, 211.375000 MB of memory in use. ENERGY: 4015200 760.2256 2073.2635 1960.2359 110.4392 -205873.2116 17667.4724 0.0000 0.0000 34343.3229 -148958.2522 299.9288 -183301.5751 -148861.7802 300.0187 -95.5420 -58.1835 559221.4141 0.0748 0.1894 PRESSURE: 4015400 -234.633 -115.58 -11.7863 -115.58 -208.501 71.3735 -11.7878 71.3732 -17.4999 GPRESSURE: 4015400 -149.885 -90.8131 -1.08873 -145.335 -238.889 30.6378 -59.476 92.4865 32.1548 PRESSAVG: 4015400 -5.38503 54.0872 35.9802 54.0871 35.1521 13.6856 35.9802 13.6857 -24.314 GPRESSAVG: 4015400 -4.59291 55.2822 36.4559 51.1224 34.3172 12.5007 35.3729 15.0032 -24.1103 TIMING: 4015400 CPU: 11629.2, 0.00286459/step Wall: 11629.2, 0.00286459/step, 0.783466 hours remaining, 211.375000 MB of memory in use. ENERGY: 4015400 766.7962 2110.2392 1967.6330 112.8179 -205978.8225 17736.4189 0.0000 0.0000 34383.6382 -148901.2790 300.2809 -183284.9172 -148813.8705 299.5919 -153.5447 -118.8731 558947.8331 1.8177 1.8714 PRESSURE: 4015600 -31.906 19.8216 48.5845 19.8226 26.7416 -83.7725 48.5862 -83.7735 22.2539 GPRESSURE: 4015600 -8.26337 -2.45294 102.391 -30.6897 30.5614 -66.2482 20.6965 -90.8372 89.08 PRESSAVG: 4015600 57.611 -27.4635 -17.4969 -27.4633 -29.757 2.21663 -17.4968 2.21668 -28.0966 GPRESSAVG: 4015600 56.3326 -30.4789 -17.2745 -26.4802 -29.0821 3.83229 -18.0854 1.93716 -27.73 TIMING: 4015600 CPU: 11629.7, 0.00287101/step Wall: 11629.7, 0.00287101/step, 0.785063 hours remaining, 211.375000 MB of memory in use. ENERGY: 4015600 743.3950 2084.2881 1945.8967 111.8552 -205961.0095 17769.5904 0.0000 0.0000 34599.4087 -148706.5754 302.1652 -183305.9841 -148613.2209 300.3251 5.6965 37.1260 557657.9461 -0.0809 -0.1598 PRESSURE: 4015800 171.671 -38.8397 40.7241 -38.8402 73.9721 108.039 40.7233 108.038 221.017 GPRESSURE: 4015800 185.122 -92.1796 45.6271 38.3018 144.18 8.3845 57.1645 120.825 245.925 PRESSAVG: 4015800 3.66986 28.9781 -0.823148 28.978 19.8957 38.1085 -0.823208 38.1085 -10.6751 GPRESSAVG: 4015800 4.2651 31.2861 -3.30337 28.9673 18.6891 36.8006 0.769754 36.8726 -10.5549 TIMING: 4015800 CPU: 11630.3, 0.00286745/step Wall: 11630.3, 0.00286745/step, 0.783928 hours remaining, 211.375000 MB of memory in use. ENERGY: 4015800 714.5785 2096.1914 1944.5340 122.9106 -205712.4254 17814.7984 0.0000 0.0000 34370.6952 -148648.7174 300.1678 -183019.4125 -148549.4604 300.3869 155.5534 191.7425 558647.6761 4.2968 4.1331 PRESSURE: 4016000 99.8069 14.4092 -144.866 14.4086 5.11848 168.605 -144.866 168.605 112.432 GPRESSURE: 4016000 99.8834 125.64 -159.452 -112.743 -9.31235 176.438 -74.3143 114.848 212.838 PRESSAVG: 4016000 -36.9059 0.0606973 41.9791 0.0607793 23.8232 24.1869 41.9791 24.1869 -14.1727 GPRESSAVG: 4016000 -38.0938 0.515795 44.2298 2.2444 24.8342 24.3426 39.6806 23.5679 -14.0479 TIMING: 4016000 CPU: 11630.9, 0.00288646/step Wall: 11630.9, 0.00288646/step, 0.788967 hours remaining, 211.375000 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: 4016000 721.9920 2100.8522 1950.5393 119.2326 -205394.8573 17647.5007 0.0000 0.0000 34399.6816 -148455.0590 300.4210 -182854.7406 -148351.8510 300.8817 72.4525 101.1364 558280.9857 -9.0851 -9.1025 PRESSURE: 4016200 -140.402 3.77325 28.9447 3.77381 -44.9429 3.64206 28.9444 3.64207 -47.0107 GPRESSURE: 4016200 -136.57 -20.6612 25.5766 95.5222 87.505 -85.3931 -2.56855 82.1132 -86.0465 PRESSAVG: 4016200 -15.8054 -16.953 31.4164 -16.953 43.5887 28.5513 31.4164 28.5512 -34.0216 GPRESSAVG: 4016200 -16.3459 -18.0489 31.6729 -18.9861 43.7643 26.3386 30.9042 30.8466 -34.6492 TIMING: 4016200 CPU: 11631.5, 0.0028981/step Wall: 11631.5, 0.0028981/step, 0.791986 hours remaining, 211.375000 MB of memory in use. ENERGY: 4016200 725.6068 2125.3281 1951.9041 101.3397 -205790.1135 17642.2571 0.0000 0.0000 34576.9424 -148666.7354 301.9690 -183243.6778 -148573.1326 300.9632 -77.4519 -45.0370 558832.3896 -2.0794 -2.4102 LDB: ============= START OF LOAD BALANCING ============== 11634.9 LDB: ============== END OF LOAD BALANCING =============== 11634.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11634.9 LDB: ============= START OF LOAD BALANCING ============== 11635.2 LDB: Largest compute 4792 load 0.023850 is 20.2% of average load 0.118035 LDB: Average compute 0.001720 is 1.5% of average load 0.118035 LDB: TIME 11635.2 LOAD: AVG 0.118035 MAX 0.17866 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 11635.2 LOAD: AVG 0.118035 MAX 0.17866 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 11635.2 LOAD: AVG 0.118035 MAX 0.17866 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11635.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11635.2 PRESSURE: 4016400 35.3645 -158.925 11.6601 -158.926 233.196 -12.9569 11.6611 -12.9569 44.8483 GPRESSURE: 4016400 60.0666 -99.5896 -0.268157 -155.126 243.528 24.6262 47.5399 -48.3435 115.519 PRESSAVG: 4016400 -83.4797 -7.67306 9.67401 -7.67297 78.8864 -5.46492 9.67402 -5.46493 22.7428 GPRESSAVG: 4016400 -82.8357 -10.4123 8.33402 -5.93263 78.182 -3.28884 11.106 -6.43901 22.4239 TIMING: 4016400 CPU: 11632.1, 0.00293914/step Wall: 11632.1, 0.00293914/step, 0.803038 hours remaining, 210.351562 MB of memory in use. ENERGY: 4016400 728.8902 2147.5477 1943.3064 110.4438 -205767.3703 17817.0212 0.0000 0.0000 34171.4026 -148848.7584 298.4274 -183020.1610 -148757.8527 300.5863 104.4695 139.7046 558074.5065 6.0498 5.9234 PRESSURE: 4016600 31.4056 -86.1178 -144.555 -86.1186 -135.317 30.4594 -144.556 30.4594 -132.422 GPRESSURE: 4016600 51.6063 -75.3131 -69.5196 -134.289 -131.552 25.8837 -166.574 49.4237 -67.5954 PRESSAVG: 4016600 27.6856 -44.9259 -47.0643 -44.9258 -71.7673 18.7352 -47.0642 18.7351 16.0774 GPRESSAVG: 4016600 27.2295 -41.7136 -43.9361 -47.3843 -73.5674 20.0455 -48.5914 17.3879 17.3793 TIMING: 4016600 CPU: 11632.6, 0.00287209/step Wall: 11632.6, 0.00287209/step, 0.78456 hours remaining, 210.554688 MB of memory in use. ENERGY: 4016600 713.0473 2078.7626 1949.9414 117.3601 -205458.8489 17513.2315 0.0000 0.0000 34320.6571 -148765.8488 299.7308 -183086.5059 -148661.4890 299.9887 -78.7778 -49.1805 558871.5687 -9.3348 -9.6529 PRESSURE: 4016800 -172.672 6.76114 -61.8057 6.76118 -125.734 -39.5374 -61.8061 -39.5386 -85.6576 GPRESSURE: 4016800 -99.6007 58.9003 -42.9997 -29.8904 -121.543 81.3136 -36.9665 -146.471 -71.1181 PRESSAVG: 4016800 -15.8704 15.5292 -62.1602 15.5292 12.4894 10.2154 -62.1603 10.2153 -12.6293 GPRESSAVG: 4016800 -16.1719 16.3007 -64.7516 14.7416 13.5796 11.3991 -62.5207 9.55337 -13.3852 TIMING: 4016800 CPU: 11633.2, 0.00289144/step Wall: 11633.2, 0.00289144/step, 0.789685 hours remaining, 210.554688 MB of memory in use. ENERGY: 4016800 762.5468 2074.5565 1969.1596 116.2521 -205529.6904 17576.8224 0.0000 0.0000 34346.6630 -148683.6900 299.9580 -183030.3530 -148581.8522 299.9511 -128.0214 -97.4206 558738.8380 -5.3367 -5.3258 PRESSURE: 4017000 199.635 -220.932 -40.6674 -220.931 24.582 -20.4355 -40.6689 -20.4344 118.231 GPRESSURE: 4017000 204.509 -189.491 -57.9446 -203.984 33.7451 35.6259 -85.6418 -67.3376 206.879 PRESSAVG: 4017000 -31.2503 30.5453 -67.9922 30.5453 6.48464 1.10119 -67.9923 1.10118 81.7111 GPRESSAVG: 4017000 -30.2602 28.1592 -68.4913 33.1678 6.24241 -3.06653 -67.2064 2.79936 80.5522 TIMING: 4017000 CPU: 11633.8, 0.00284078/step Wall: 11633.8, 0.00284078/step, 0.775691 hours remaining, 210.554688 MB of memory in use. ENERGY: 4017000 750.4408 2114.8120 1968.3096 106.1372 -206274.4367 18139.0203 0.0000 0.0000 34441.3243 -148754.3924 300.7847 -183195.7167 -148654.4970 301.0049 114.1494 148.3776 558347.9227 18.9818 18.8448 PRESSURE: 4017200 211.725 136.594 -23.5384 136.593 -1.18935 -35.4672 -23.538 -35.4659 -70.5639 GPRESSURE: 4017200 253.167 202.512 -35.8212 92.6573 22.4061 -21.6246 -25.8271 -51.639 -40.7924 PRESSAVG: 4017200 -66.0253 19.6365 7.05408 19.6364 51.9838 5.26907 7.05408 5.26898 39.4298 GPRESSAVG: 4017200 -65.4427 21.7418 7.38087 18.3481 52.0699 7.77054 7.278 5.48314 38.8981 TIMING: 4017200 CPU: 11634.4, 0.00287069/step Wall: 11634.4, 0.00287069/step, 0.783699 hours remaining, 210.554688 MB of memory in use. ENERGY: 4017200 745.0981 2107.3069 2007.1780 130.6623 -205981.6017 17817.9456 0.0000 0.0000 34357.8185 -148815.5924 300.0554 -183173.4108 -148713.7684 300.2835 46.6573 78.2602 558983.9070 8.4628 8.5084 PRESSURE: 4017400 0.762346 -29.5879 38.0634 -29.5872 -220.096 24.1208 38.0629 24.1203 21.6838 GPRESSURE: 4017400 8.45908 -103.913 76.9432 32.5509 -196.394 65.1522 44.5581 54.3647 82.5782 PRESSAVG: 4017400 -7.41714 38.835 -21.8913 38.835 14.3426 -9.08431 -21.8914 -9.08434 -2.13355 GPRESSAVG: 4017400 -9.00715 38.7477 -21.1354 39.4065 14.6401 -9.55722 -23.1939 -9.84646 -1.89636 TIMING: 4017400 CPU: 11634.9, 0.00286261/step Wall: 11634.9, 0.00286261/step, 0.781333 hours remaining, 210.554688 MB of memory in use. ENERGY: 4017400 760.3190 2178.2927 1957.2194 118.1715 -206048.3062 17808.8100 0.0000 0.0000 34399.9267 -148825.5671 300.4231 -183225.4937 -148725.1070 300.6099 -65.8833 -35.1188 560195.4584 1.5973 1.2455 PRESSURE: 4017600 13.2397 -32.2161 13.3157 -32.2173 -292.626 -53.4009 13.3151 -53.4019 -68.0721 GPRESSURE: 4017600 10.3126 -112.779 9.73209 46.2491 -230.274 2.61914 -51.7825 -135.662 -22.4839 PRESSAVG: 4017600 47.1627 25.0305 -13.7662 25.0305 -32.6983 7.95061 -13.7662 7.95065 27.9125 GPRESSAVG: 4017600 47.51 24.1521 -15.8448 26.0904 -32.7201 7.77658 -11.03 7.37635 28.2977 TIMING: 4017600 CPU: 11635.5, 0.00287178/step Wall: 11635.5, 0.00287178/step, 0.783678 hours remaining, 210.554688 MB of memory in use. ENERGY: 4017600 753.6045 2111.9738 1941.9551 107.2063 -205635.9563 17664.4637 0.0000 0.0000 34209.8803 -148846.8726 298.7634 -183056.7529 -148743.6086 300.3886 -115.8194 -80.8152 559866.4631 14.1256 14.3625 PRESSURE: 4017800 4.89073 150.875 45.0016 150.876 10.3845 -156.018 45.0005 -156.018 -177.134 GPRESSURE: 4017800 77.1344 214.518 53.0331 119.271 40.6763 -143.754 -27.006 -26.8457 -179.199 PRESSAVG: 4017800 -28.258 64.5899 6.86218 64.59 25.2045 -54.6291 6.86218 -54.6291 -7.33378 GPRESSAVG: 4017800 -26.843 64.7014 8.80069 63.2053 25.111 -53.9654 7.32167 -52.6444 -8.52135 TIMING: 4017800 CPU: 11636.1, 0.00287753/step Wall: 11636.1, 0.00287753/step, 0.785087 hours remaining, 210.554688 MB of memory in use. ENERGY: 4017800 749.1012 2102.3887 1978.8876 126.4273 -205928.3472 17775.5546 0.0000 0.0000 34185.7335 -149010.2543 298.5525 -183195.9878 -148908.0427 300.5227 -53.9530 -20.4628 558120.9394 -3.4624 -3.4178 PRESSURE: 4018000 -147.715 3.62932 22.9339 3.62987 167.303 -1.78 22.9334 -1.78054 -372.624 GPRESSURE: 4018000 -143.906 5.56653 42.4288 -3.83148 192.988 40.5508 13.9856 -54.4087 -309.214 PRESSAVG: 4018000 23.821 28.0812 -5.66271 28.0811 14.68 -35.0096 -5.6627 -35.0096 -23.4748 GPRESSAVG: 4018000 22.0967 28.1531 -4.37149 28.5857 13.7525 -35.4479 -7.98186 -36.3316 -20.5634 TIMING: 4018000 CPU: 11636.7, 0.00288859/step Wall: 11636.7, 0.00288859/step, 0.787942 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4018000 788.2859 2111.6818 1977.5975 124.6916 -205888.7415 17713.6137 0.0000 0.0000 34251.8435 -148921.0276 299.1299 -183172.8711 -148813.6097 300.0363 -117.6783 -86.7105 560579.2615 5.0087 5.0952 PRESSURE: 4018200 128.306 13.1209 -4.70764 13.1216 -311.145 89.5351 -4.70661 89.5363 76.8954 GPRESSURE: 4018200 177.584 110.822 39.6629 8.42533 -288.781 49.4975 -38.1336 105.13 102.191 PRESSAVG: 4018200 -8.74036 20.0054 -1.08484 20.0054 9.50807 10.7349 -1.08485 10.7348 24.9325 GPRESSAVG: 4018200 -8.37513 19.5486 -2.35223 19.5837 9.78064 10.4953 0.0937413 10.1118 23.7393 TIMING: 4018200 CPU: 11637.2, 0.00287061/step Wall: 11637.2, 0.00287061/step, 0.78288 hours remaining, 210.554688 MB of memory in use. ENERGY: 4018200 744.4456 2149.0465 1986.8299 112.1977 -206111.6687 17750.3692 0.0000 0.0000 34337.6103 -149031.1694 299.8789 -183368.7797 -148933.8061 300.1775 -35.3145 -3.0020 559279.0083 8.5667 8.3816 PRESSURE: 4018400 -20.1119 64.5247 -68.9007 64.5256 -89.9097 190.484 -68.9007 190.483 -108.745 GPRESSURE: 4018400 15.3774 84.4433 -101.732 -65.8371 -59.5634 166.147 -80.3945 178.553 -69.8838 PRESSAVG: 4018400 42.8461 4.81804 -4.97385 4.81808 -27.2772 -38.0337 -4.97389 -38.0336 4.00156 GPRESSAVG: 4018400 44.7342 6.32504 -5.14773 2.80266 -27.0387 -39.0903 -4.22425 -35.066 2.28791 TIMING: 4018400 CPU: 11637.8, 0.00285494/step Wall: 11637.8, 0.00285494/step, 0.778447 hours remaining, 210.554688 MB of memory in use. ENERGY: 4018400 745.0048 2134.6862 1943.2711 123.3985 -206167.5197 17790.3614 0.0000 0.0000 34366.1899 -149064.6078 300.1285 -183430.7978 -148966.7205 299.5799 -72.9222 -38.0233 557254.5797 6.5235 6.6611 PRESSURE: 4018600 -128.855 -0.213266 112.659 -0.215 66.8864 72.2746 112.659 72.2758 -129.99 GPRESSURE: 4018600 -88.9482 96.9282 3.61471 -145.518 144.032 101.318 142.773 13.4402 -154.86 PRESSAVG: 4018600 32.9803 -64.163 -32.1983 -64.1629 -1.47863 7.37653 -32.1984 7.37655 -20.7654 GPRESSAVG: 4018600 31.169 -67.2465 -31.2161 -62.7189 -0.387426 9.9211 -33.4054 3.65159 -19.9367 TIMING: 4018600 CPU: 11638.4, 0.0028551/step Wall: 11638.4, 0.0028551/step, 0.778332 hours remaining, 210.554688 MB of memory in use. ENERGY: 4018600 758.7862 2133.8300 1930.6881 127.4065 -205930.9946 17762.4635 0.0000 0.0000 34313.2694 -148904.5509 299.6663 -183217.8203 -148806.8356 300.4866 -63.9860 -33.2588 556072.7110 3.5788 3.6150 PRESSURE: 4018800 -88.6796 148.639 -2.97768 148.64 136.886 -238.833 -2.97579 -238.832 156.445 GPRESSURE: 4018800 -13.3256 147.096 -101.296 114.434 92.3678 -236.592 92.3505 -201.251 231.56 PRESSAVG: 4018800 27.8252 -9.3009 25.1737 -9.30089 48.6469 -16.676 25.1737 -16.6761 -47.9238 GPRESSAVG: 4018800 27.5566 -7.79514 24.0716 -7.30684 48.0724 -18.5545 26.1069 -13.1865 -47.6089 TIMING: 4018800 CPU: 11638.9, 0.00285769/step Wall: 11638.9, 0.00285769/step, 0.778879 hours remaining, 210.554688 MB of memory in use. ENERGY: 4018800 727.9082 2200.1163 1945.2002 104.0066 -206438.0337 17853.5768 0.0000 0.0000 34451.1752 -149156.0504 300.8707 -183607.2256 -149059.2578 299.7989 68.2171 103.5340 557140.1131 9.5161 9.3401 PRESSURE: 4019000 111.189 -168.171 -123.008 -168.173 -323.901 -136.388 -123.007 -136.388 -1.05185 GPRESSURE: 4019000 119.757 -170.854 -121.767 -251.272 -272.426 -142.646 -141.877 -145.998 35.9399 PRESSAVG: 4019000 50.3295 16.4449 -22.8651 16.4449 -67.9814 -8.26134 -22.8651 -8.2614 -37.3563 GPRESSAVG: 4019000 51.4469 16.0539 -23.9492 14.789 -69.3438 -8.33447 -22.869 -8.23597 -36.7213 TIMING: 4019000 CPU: 11639.5, 0.00285708/step Wall: 11639.5, 0.00285708/step, 0.778554 hours remaining, 210.554688 MB of memory in use. ENERGY: 4019000 781.4085 2112.3907 1940.8173 114.0070 -206450.3357 17901.9811 0.0000 0.0000 34382.8352 -149216.8958 300.2739 -183599.7310 -149125.3515 299.5355 -71.2547 -38.9095 558181.5006 -18.3361 -18.2061 PRESSURE: 4019200 -111.578 -52.2305 24.3451 -52.2306 -88.1938 -19.1584 24.3438 -19.1586 28.7686 GPRESSURE: 4019200 -66.5037 15.6367 31.7132 -82.0519 -79.1677 143.302 26.7242 -42.6577 69.0145 PRESSAVG: 4019200 33.1254 -2.39468 -27.3709 -2.39471 -15.205 1.24196 -27.3709 1.24182 -3.5765 GPRESSAVG: 4019200 33.3427 -2.25168 -26.7235 -1.28696 -15.4202 2.77839 -27.3578 -0.323473 -4.18004 TIMING: 4019200 CPU: 11640.1, 0.00286509/step Wall: 11640.1, 0.00286509/step, 0.780578 hours remaining, 210.554688 MB of memory in use. ENERGY: 4019200 776.2895 2089.2177 1958.8224 119.5553 -206274.8356 17895.7835 0.0000 0.0000 34461.4337 -148973.7334 300.9603 -183435.1671 -148879.9637 300.2041 -57.0011 -25.5523 558649.0189 4.7813 4.5808 PRESSURE: 4019400 64.4771 -66.1689 107.056 -66.1689 -53.4252 -100.702 107.056 -100.702 -89.5717 GPRESSURE: 4019400 84.4341 -89.1284 151.764 -81.2446 -23.8054 -52.5348 60.1331 13.3752 -52.0564 PRESSAVG: 4019400 96.939 -18.1 24.528 -18.1001 -45.2932 24.8744 24.5281 24.8744 -42.8171 GPRESSAVG: 4019400 97.0847 -15.5342 22.6562 -17.6352 -45.4603 23.2099 26.2066 26.8454 -43.0113 TIMING: 4019400 CPU: 11640.7, 0.00286672/step Wall: 11640.7, 0.00286672/step, 0.780862 hours remaining, 210.554688 MB of memory in use. ENERGY: 4019400 757.5207 2127.9934 1962.7604 110.3978 -205894.0254 17986.1112 0.0000 0.0000 34265.7717 -148683.4702 299.2515 -182949.2419 -148590.3438 300.4488 -26.1733 2.8574 558435.6434 2.9429 2.8710 PRESSURE: 4019600 -22.7831 68.9826 77.4273 68.9837 -101.32 75.6593 77.4274 75.6568 -36.8212 GPRESSURE: 4019600 19.5279 157.736 35.9088 -30.8564 -64.9974 148.97 138.193 66.5677 -14.3746 PRESSAVG: 4019600 51.863 -30.876 4.10652 -30.876 -61.6518 0.173875 4.10639 0.173859 -30.3667 GPRESSAVG: 4019600 50.9895 -32.8683 4.26659 -32.5883 -61.1544 0.808348 5.045 -1.71573 -29.7093 TIMING: 4019600 CPU: 11641.2, 0.00289726/step Wall: 11641.2, 0.00289726/step, 0.789021 hours remaining, 210.554688 MB of memory in use. ENERGY: 4019600 770.5491 2191.9475 1953.8783 98.9921 -205871.9102 17798.1758 0.0000 0.0000 34231.5298 -148826.8376 298.9525 -183058.3674 -148725.4542 300.7499 -53.6415 -19.9481 558506.2137 -13.3851 -13.2914 PRESSURE: 4019800 94.8333 165.179 23.7504 165.179 0.938816 119.505 23.7505 119.504 189.021 GPRESSURE: 4019800 117.559 179.217 75.7665 108.281 108.542 35.7753 2.84071 136.465 149.573 PRESSAVG: 4019800 37.3789 5.02216 -3.09129 5.02208 -16.5473 -14.2346 -3.09141 -14.2346 -41.4826 GPRESSAVG: 4019800 38.0615 5.92743 -1.3949 5.68428 -16.5734 -13.1627 -5.23465 -14.3525 -41.4464 TIMING: 4019800 CPU: 11641.8, 0.00286364/step Wall: 11641.8, 0.00286364/step, 0.779707 hours remaining, 210.554688 MB of memory in use. ENERGY: 4019800 759.8553 2154.5342 1939.2252 111.2545 -206593.8498 18153.8431 0.0000 0.0000 34485.4604 -148989.6771 301.1701 -183475.1375 -148897.1960 300.3420 94.9312 125.2244 558058.5211 -6.8836 -6.6527 PRESSURE: 4020000 77.0893 -18.7526 133.441 -18.7524 40.1713 -60.0818 133.441 -60.0837 -225.342 GPRESSURE: 4020000 70.8521 -85.3438 254.247 27.045 91.1261 8.73716 128.805 -118.439 -177.912 PRESSAVG: 4020000 -31.5153 60.0859 -31.6493 60.0858 37.4192 8.806 -31.6492 8.80589 13.919 GPRESSAVG: 4020000 -31.5691 59.0571 -33.6755 60.7401 38.6302 8.48324 -31.4343 6.39021 12.7831 TIMING: 4020000 CPU: 11642.4, 0.00287034/step Wall: 11642.4, 0.00287034/step, 0.78137 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4020000 765.7483 2071.1118 1967.0247 109.1769 -206125.4922 17847.0211 0.0000 0.0000 34327.5082 -149037.9012 299.7907 -183365.4094 -148940.3112 300.1463 -36.0272 -5.3112 559209.4879 6.6076 6.6147 PRESSURE: 4020200 106.11 -92.7179 91.8221 -92.719 -46.2295 61.6213 91.8221 61.6211 -73.1555 GPRESSURE: 4020200 156.262 -75.327 107.113 -84.7653 -10.129 121.093 96.3873 5.22717 -70.2983 PRESSAVG: 4020200 -13.1962 13.7484 7.83323 13.7484 4.19925 50.4196 7.83315 50.4196 -9.83035 GPRESSAVG: 4020200 -13.5938 15.8296 9.82202 11.2585 3.47383 52.1414 7.10931 49.1282 -8.51026 TIMING: 4020200 CPU: 11643, 0.00286495/step Wall: 11643, 0.00286495/step, 0.779744 hours remaining, 210.554688 MB of memory in use. ENERGY: 4020200 745.6222 2169.6237 1982.5577 113.9665 -206242.0350 17863.1237 0.0000 0.0000 34365.3973 -149001.7440 300.1216 -183367.1412 -148906.7952 299.8562 -4.4249 25.2781 558196.2397 -6.2758 -6.2101 LDB: ============= START OF LOAD BALANCING ============== 11646.3 LDB: ============== END OF LOAD BALANCING =============== 11646.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11646.3 LDB: ============= START OF LOAD BALANCING ============== 11646.6 LDB: Largest compute 4773 load 0.024130 is 20.4% of average load 0.118077 LDB: Average compute 0.001723 is 1.5% of average load 0.118077 LDB: TIME 11646.6 LOAD: AVG 0.118077 MAX 0.179508 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.812 MB LDB: TIME 11646.6 LOAD: AVG 0.118077 MAX 0.179508 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.875 MB LDB: TIME 11646.6 LOAD: AVG 0.118077 MAX 0.179508 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.875 MB LDB: ============== END OF LOAD BALANCING =============== 11646.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11646.6 PRESSURE: 4020400 39.3586 -115.357 14.4464 -115.356 52.6532 13.2027 14.4468 13.2015 194.095 GPRESSURE: 4020400 131.62 -19.3638 -0.7215 -118.527 83.8986 -24.1446 89.7357 72.3369 166.392 PRESSAVG: 4020400 89.5951 -24.0765 -5.59974 -24.0765 -29.5346 6.54164 -5.59972 6.54156 -61.6529 GPRESSAVG: 4020400 89.9814 -24.0822 -6.31577 -22.7864 -28.7822 2.69998 -3.41271 10.2197 -62.7159 TIMING: 4020400 CPU: 11643.6, 0.00292915/step Wall: 11643.6, 0.00292915/step, 0.797055 hours remaining, 210.152344 MB of memory in use. ENERGY: 4020400 757.0021 2110.1247 1953.7216 104.3902 -206549.0254 18001.7093 0.0000 0.0000 34550.4004 -149071.6771 301.7372 -183622.0775 -148980.3365 300.1880 95.3690 127.3037 557335.7333 -0.5308 -0.5055 PRESSURE: 4020600 126.751 74.4944 -148.98 74.4959 90.4907 -68.0803 -148.981 -68.0822 103.785 GPRESSURE: 4020600 142.302 48.4856 -190.053 177.286 118.405 43.1286 -152.513 -146.878 161.308 PRESSAVG: 4020600 63.4276 -14.4551 -9.47503 -14.4551 -79.8566 0.59432 -9.47499 0.594297 22.3717 GPRESSAVG: 4020600 63.8852 -15.7338 -8.59156 -13.9631 -79.9935 -0.168771 -10.8795 2.10216 22.4462 TIMING: 4020600 CPU: 11644.1, 0.00288548/step Wall: 11644.1, 0.00288548/step, 0.78501 hours remaining, 210.355469 MB of memory in use. ENERGY: 4020600 715.7604 2099.6442 1940.1100 113.9947 -206212.0422 17885.5295 0.0000 0.0000 34379.7441 -149077.2593 300.2469 -183457.0034 -148982.1239 300.1496 107.0089 140.6718 557796.0701 1.9809 2.1127 PRESSURE: 4020800 312.628 54.277 -40.7501 54.2778 -79.1524 -66.0241 -40.7517 -66.0225 64.4076 GPRESSURE: 4020800 251.138 100.346 -136.858 -18.3138 -11.1943 -24.0587 42.9552 -88.5632 154.757 PRESSAVG: 4020800 15.7385 -20.142 -16.9603 -20.1421 -7.05823 -19.182 -16.9604 -19.1821 -10.961 GPRESSAVG: 4020800 15.6865 -18.9225 -18.4174 -20.6403 -7.05583 -18.1052 -15.1919 -19.9972 -10.2942 TIMING: 4020800 CPU: 11644.7, 0.0028717/step Wall: 11644.7, 0.0028717/step, 0.781103 hours remaining, 210.355469 MB of memory in use. ENERGY: 4020800 735.3085 2163.0754 1946.1005 99.0916 -206296.2414 17981.4863 0.0000 0.0000 34295.7483 -149075.4309 299.5133 -183371.1792 -148980.2182 300.0708 99.2944 131.5669 558865.9188 -0.7602 -0.5545 PRESSURE: 4021000 -205.594 -104.473 -18.5785 -104.472 -151.245 -28.0347 -18.5776 -28.0356 126.573 GPRESSURE: 4021000 -178.315 -89.6211 39.0536 -63.2461 -172.368 -65.5647 -27.6341 -64.9066 218.525 PRESSAVG: 4021000 -10.7725 11.718 -21.8486 11.718 31.8971 -17.0789 -21.8486 -17.0789 23.9768 GPRESSAVG: 4021000 -11.2497 10.3984 -19.9188 10.0477 32.1547 -17.057 -22.8717 -16.9371 24.1033 TIMING: 4021000 CPU: 11645.3, 0.00287177/step Wall: 11645.3, 0.00287177/step, 0.780962 hours remaining, 210.355469 MB of memory in use. ENERGY: 4021000 741.8110 2033.3826 1963.2037 113.8314 -205870.9265 17619.6124 0.0000 0.0000 34364.2282 -149034.8573 300.1114 -183399.0855 -148939.5602 299.2286 -76.7552 -44.0528 558826.5134 15.0338 15.0028 PRESSURE: 4021200 79.4085 101.949 120.373 101.951 319.738 -240.618 120.374 -240.618 -77.8023 GPRESSURE: 4021200 140.701 107.9 80.4015 83.9785 331.779 -215.286 122.579 -222.805 -48.3524 PRESSAVG: 4021200 -7.73307 -20.16 37.1611 -20.1601 -4.20902 -22.4816 37.1612 -22.4815 21.2028 GPRESSAVG: 4021200 -8.15341 -18.6702 37.098 -18.3988 -3.75276 -22.0526 36.1777 -24.0417 20.9641 TIMING: 4021200 CPU: 11645.8, 0.00284997/step Wall: 11645.8, 0.00284997/step, 0.774876 hours remaining, 210.355469 MB of memory in use. ENERGY: 4021200 717.0304 2105.0844 1951.9738 103.9433 -206525.9744 18158.3027 0.0000 0.0000 34496.5386 -148993.1012 301.2669 -183489.6398 -148894.2958 299.8968 107.1148 141.3758 559466.2307 3.0869 3.0193 PRESSURE: 4021400 87.5526 74.3018 -48.1498 74.3011 -350.66 -38.2059 -48.1482 -38.2054 271.077 GPRESSURE: 4021400 141.059 4.11528 -34.2958 73.0272 -266.24 19.7017 -27.5946 -55.553 228.264 PRESSAVG: 4021400 -32.4357 9.05257 19.7263 9.05256 21.5565 -19.5567 19.7263 -19.5567 -45.9567 GPRESSAVG: 4021400 -31.7281 8.42627 17.5874 7.86792 22.0064 -19.5517 21.4812 -19.078 -46.8845 TIMING: 4021400 CPU: 11646.4, 0.00288925/step Wall: 11646.4, 0.00288925/step, 0.785395 hours remaining, 210.355469 MB of memory in use. ENERGY: 4021400 753.5537 2081.8083 1965.7451 107.2999 -206232.4818 17916.8438 0.0000 0.0000 34446.9031 -148960.3280 300.8334 -183407.2310 -148862.1138 299.9838 2.6563 34.3612 559328.1837 -18.9453 -18.8687 PRESSURE: 4021600 102.96 259.544 6.20181 259.543 -286.528 -98.8735 6.20229 -98.872 -138.01 GPRESSURE: 4021600 68.5863 288.56 -27.1921 279.215 -256.152 -62.9411 67.6974 -99.4922 -55.5792 PRESSAVG: 4021600 14.498 7.53058 -25.9251 7.53061 -27.6451 -49.3502 -25.9251 -49.3502 23.7832 GPRESSAVG: 4021600 14.3142 6.07753 -25.1713 8.80516 -29.212 -48.8335 -25.2068 -49.4429 25.3053 TIMING: 4021600 CPU: 11647, 0.00287085/step Wall: 11647, 0.00287085/step, 0.780232 hours remaining, 210.355469 MB of memory in use. ENERGY: 4021600 763.4042 2128.0170 1932.8885 121.5279 -205937.1729 17690.9307 0.0000 0.0000 34244.0911 -149056.3134 299.0622 -183300.4045 -148964.2472 299.9191 -107.1926 -81.0483 557156.5747 3.5454 3.4692 PRESSURE: 4021800 264.494 44.3556 190.826 44.3553 113.911 238.09 190.827 238.091 -132.387 GPRESSURE: 4021800 308.521 27.2299 158.063 25.4703 138.323 223.09 218.591 197.075 -110.302 PRESSAVG: 4021800 30.8332 42.9128 -5.23494 42.9128 27.6602 -71.4028 -5.23482 -71.4027 -31.3703 GPRESSAVG: 4021800 31.2555 42.977 -3.58527 42.2831 27.5114 -69.4027 -6.21885 -72.7014 -31.6947 TIMING: 4021800 CPU: 11647.6, 0.00284833/step Wall: 11647.6, 0.00284833/step, 0.773956 hours remaining, 210.355469 MB of memory in use. ENERGY: 4021800 710.3633 2125.7333 1925.9224 103.1943 -206414.6947 18003.4931 0.0000 0.0000 34302.2195 -149243.7688 299.5698 -183545.9883 -149147.3526 299.8090 82.0060 112.1807 556817.0759 9.0410 9.0241 PRESSURE: 4022000 34.047 102.796 61.8474 102.795 305.314 -44.6415 61.8479 -44.6406 136.107 GPRESSURE: 4022000 -0.728884 85.8147 64.0616 128.676 363.193 -101.26 57.3949 -59.2632 207.124 PRESSAVG: 4022000 -16.5381 20.8737 15.8472 20.8737 -14.4752 20.0779 15.8473 20.078 15.693 GPRESSAVG: 4022000 -16.3293 23.4632 16.5347 20.2045 -14.6527 18.5031 14.4476 21.5128 16.1946 TIMING: 4022000 CPU: 11648.1, 0.00287106/step Wall: 11648.1, 0.00287106/step, 0.779972 hours remaining, 210.355469 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: 4022000 724.1044 2066.9002 1949.0371 111.6343 -206500.2929 18233.1138 0.0000 0.0000 34141.6610 -149273.8421 298.1676 -183415.5031 -149176.9209 300.0044 158.4893 189.8626 557982.3393 -5.1068 -4.9292 PRESSURE: 4022200 -13.1152 100.39 -79.8885 100.39 -136.637 -130.182 -79.8886 -130.182 51.6336 GPRESSURE: 4022200 31.9223 161.325 -70.7794 9.51788 -102.082 -85.1062 -82.904 -101.038 59.7821 PRESSAVG: 4022200 -37.8687 9.73133 6.77777 9.73131 72.7374 5.56388 6.77774 5.56386 -11.3282 GPRESSAVG: 4022200 -37.3136 7.43134 5.17488 10.9305 72.6235 6.08462 8.40631 7.31985 -12.3043 TIMING: 4022200 CPU: 11648.7, 0.00287348/step Wall: 11648.7, 0.00287347/step, 0.780468 hours remaining, 210.355469 MB of memory in use. ENERGY: 4022200 743.8766 2044.8875 1957.8630 115.6526 -206639.3200 17955.2799 0.0000 0.0000 34506.1807 -149315.5797 301.3511 -183821.7604 -149221.7897 299.4365 -32.7060 -3.4592 556679.5294 7.8468 7.6685 PRESSURE: 4022400 4.59221 148.074 -68.7702 148.074 157.154 -7.97494 -68.7704 -7.97398 109.985 GPRESSURE: 4022400 77.6577 52.4023 10.4032 152.279 111.243 1.65193 -95.9537 -70.6247 164.091 PRESSAVG: 4022400 28.4227 55.3287 -23.0065 55.3288 -25.6866 -9.41429 -23.0066 -9.4144 13.5965 GPRESSAVG: 4022400 28.2214 55.9647 -21.6063 52.6305 -25.8213 -8.72794 -24.0317 -10.6343 14.0597 TIMING: 4022400 CPU: 11649.3, 0.00287974/step Wall: 11649.3, 0.00287974/step, 0.782008 hours remaining, 210.355469 MB of memory in use. ENERGY: 4022400 748.0091 2134.1501 1944.3768 125.8223 -206458.1976 17939.3128 0.0000 0.0000 34276.4220 -149290.1045 299.3445 -183566.5265 -149199.2370 299.1592 90.5771 117.6638 556345.1864 5.4442 5.4866 PRESSURE: 4022600 371.382 -213.576 -275.801 -213.577 -134.343 138.123 -275.801 138.123 -269.203 GPRESSURE: 4022600 377.397 -136.658 -290.382 -210.118 -97.4684 124.341 -256.939 113.001 -219.664 PRESSAVG: 4022600 70.0476 -0.367984 -45.7335 -0.368003 8.68896 36.5921 -45.7335 36.592 -25.213 GPRESSAVG: 4022600 68.6371 2.0215 -45.7122 1.26958 9.49712 34.6064 -46.3308 37.0315 -24.8378 TIMING: 4022600 CPU: 11649.9, 0.00289684/step Wall: 11649.9, 0.00289684/step, 0.786493 hours remaining, 210.355469 MB of memory in use. ENERGY: 4022600 749.0980 2158.1895 1948.8217 113.3229 -206274.5648 17780.4054 0.0000 0.0000 34306.3460 -149218.3814 299.6059 -183524.7273 -149122.7940 298.7076 -10.7213 20.0884 556318.7307 17.8412 17.7654 PRESSURE: 4022800 202.972 155.104 -24.5724 155.103 147.135 -54.6697 -24.573 -54.6719 -212.092 GPRESSURE: 4022800 211.164 183.864 7.36136 73.3387 159.347 -31.1464 58.7947 52.9926 -129.627 PRESSAVG: 4022800 140.103 -28.7125 -23.0393 -28.7125 0.314547 -2.81989 -23.0393 -2.81988 -132.735 GPRESSAVG: 4022800 139.466 -33.0068 -22.883 -28.012 2.31905 -2.69521 -22.6663 -3.05022 -134.046 TIMING: 4022800 CPU: 11650.4, 0.00288819/step Wall: 11650.4, 0.00288819/step, 0.783982 hours remaining, 210.355469 MB of memory in use. ENERGY: 4022800 748.4904 2124.6722 1904.5251 116.8284 -206160.3483 17847.3225 0.0000 0.0000 34201.4607 -149217.0490 298.6899 -183418.5097 -149126.9586 299.3764 46.0049 80.2947 557282.6196 2.5608 2.5797 PRESSURE: 4023000 -178.474 11.6943 127.166 11.6948 255.31 146.505 127.167 146.504 215.627 GPRESSURE: 4023000 -134.903 36.1707 208.963 -84.3101 229.866 186.331 109.021 53.4414 286.539 PRESSAVG: 4023000 43.7669 -3.44899 13.4216 -3.44903 25.888 37.1056 13.4216 37.1056 -19.7127 GPRESSAVG: 4023000 45.431 -2.19308 11.192 -3.14861 23.6446 37.4678 13.4235 36.8574 -19.4593 TIMING: 4023000 CPU: 11651, 0.00287948/step Wall: 11651, 0.00287948/step, 0.781458 hours remaining, 210.355469 MB of memory in use. ENERGY: 4023000 771.5473 2133.4970 1946.8429 110.9744 -206252.1146 17972.8327 0.0000 0.0000 34073.7341 -149242.6862 297.5744 -183316.4203 -149145.4022 299.4128 97.4877 127.1674 557419.0255 16.6474 16.5388 PRESSURE: 4023200 112.216 -29.3536 -27.7529 -29.355 -175.961 18.0397 -27.751 18.0395 50.7668 GPRESSURE: 4023200 153.587 5.99382 -0.442769 4.21369 -184.654 139.986 -81.1761 -83.2734 109.063 PRESSAVG: 4023200 4.50321 49.636 27.3286 49.636 12.3336 -3.70864 27.3286 -3.70865 4.59628 GPRESSAVG: 4023200 3.80271 49.4862 30.7557 48.7491 13.6589 -5.21728 27.7538 -1.25879 4.06468 TIMING: 4023200 CPU: 11651.6, 0.00289637/step Wall: 11651.6, 0.00289637/step, 0.785882 hours remaining, 210.355469 MB of memory in use. ENERGY: 4023200 741.9659 2126.2689 1945.3549 114.1484 -206389.0833 17834.6652 0.0000 0.0000 34512.9106 -149113.7693 301.4098 -183626.6799 -149012.2424 299.5078 -4.3261 25.9987 557959.4580 7.1444 7.1754 PRESSURE: 4023400 -189.522 -164.372 196.198 -164.37 173.727 104.446 196.198 104.446 -471.276 GPRESSURE: 4023400 -149.997 -6.17241 287.731 -167.81 208.117 154.69 101.078 11.4291 -435.667 PRESSAVG: 4023400 5.29861 19.3297 10.2858 19.3298 -3.42051 0.307605 10.2858 0.307458 -18.0118 GPRESSAVG: 4023400 4.78682 21.3717 9.02987 21.1945 -4.42108 2.02381 9.09734 -1.43308 -16.2516 TIMING: 4023400 CPU: 11652.2, 0.00288101/step Wall: 11652.2, 0.00288101/step, 0.781554 hours remaining, 210.355469 MB of memory in use. ENERGY: 4023400 723.2042 2052.1892 1969.4156 107.6699 -205632.0294 17490.5494 0.0000 0.0000 34147.3500 -149141.6510 298.2173 -183289.0010 -149042.6006 299.1629 -162.3569 -125.8487 558813.6890 -5.3779 -5.2953 PRESSURE: 4023600 -111.753 75.0023 51.554 75.0027 -6.66392 -54.4167 51.5532 -54.4163 121.16 GPRESSURE: 4023600 -81.4726 106.645 68.2842 115.105 12.5973 -100.867 37.9346 -33.3758 170.992 PRESSAVG: 4023600 93.7009 7.58358 25.6329 7.5835 -9.51971 -23.4801 25.633 -23.4802 -38.4361 GPRESSAVG: 4023600 93.1229 6.22886 25.1673 7.06901 -9.39637 -23.5387 26.1825 -24.5965 -38.1039 TIMING: 4023600 CPU: 11652.8, 0.00290906/step Wall: 11652.8, 0.00290906/step, 0.789001 hours remaining, 210.355469 MB of memory in use. ENERGY: 4023600 706.8131 2117.2481 1966.8120 110.2641 -206296.0934 17830.4587 0.0000 0.0000 34388.8521 -149175.6454 300.3264 -183564.4975 -149077.7990 299.7227 0.9145 34.0390 558079.3437 15.2483 15.2075 PRESSURE: 4023800 124.597 61.0982 -53.4994 61.0991 331.232 -123.901 -53.4979 -123.901 134.534 GPRESSURE: 4023800 173.55 6.57958 -54.9313 18.2422 325.782 -147.99 -52.4705 -64.8865 196.324 PRESSAVG: 4023800 -12.4998 16.8143 8.95191 16.8144 -34.7707 24.8822 8.95194 24.8823 -12.8648 GPRESSAVG: 4023800 -11.3206 17.9241 8.01781 15.3678 -34.1739 24.6638 8.55332 27.6087 -13.8315 TIMING: 4023800 CPU: 11653.3, 0.00287401/step Wall: 11653.3, 0.00287401/step, 0.779336 hours remaining, 210.355469 MB of memory in use. ENERGY: 4023800 746.7385 2080.1839 1974.4272 119.4762 -206227.1591 18060.3017 0.0000 0.0000 34209.0867 -149036.9449 298.7565 -183246.0316 -148940.8668 299.7497 196.7877 231.8856 556578.7057 -20.0451 -19.7753 PRESSURE: 4024000 -103.796 163.325 73.8898 163.323 -357.48 80.4496 73.8908 80.4493 -25.7593 GPRESSURE: 4024000 -126.548 197.092 104.238 173.047 -236.815 60.61 120.977 64.8699 -22.3229 PRESSAVG: 4024000 -77.5613 4.28173 25.5433 4.28167 -0.703635 -74.1127 25.5433 -74.1128 75.872 GPRESSAVG: 4024000 -77.2543 5.43628 24.9723 3.69103 -0.678973 -74.0118 27.2599 -75.4147 75.3729 TIMING: 4024000 CPU: 11653.9, 0.00288275/step Wall: 11653.9, 0.00288275/step, 0.781545 hours remaining, 210.355469 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: 4024000 810.1983 2141.4442 1957.2419 129.2841 -206156.9854 17694.4616 0.0000 0.0000 34376.9302 -149047.4252 300.2223 -183424.3554 -148945.4985 299.6471 -162.3450 -128.5620 558825.9343 -0.7976 -0.8535 PRESSURE: 4024200 71.616 -157.498 -193.728 -157.498 361.342 -46.8711 -193.727 -46.8722 49.8437 GPRESSURE: 4024200 88.064 -139.149 -233.66 -151.669 368.101 -116.817 -192.812 -64.3654 119.601 PRESSAVG: 4024200 -25.8523 5.84267 42.8685 5.84267 -20.2352 -67.1585 42.8685 -67.1585 49.6497 GPRESSAVG: 4024200 -26.912 1.46424 43.6858 8.2531 -19.8678 -67.2114 42.3476 -66.4456 49.6802 TIMING: 4024200 CPU: 11654.5, 0.00286478/step Wall: 11654.5, 0.00286478/step, 0.776515 hours remaining, 210.355469 MB of memory in use. ENERGY: 4024200 764.7130 2130.9935 1955.9140 109.4149 -206629.1611 18153.4228 0.0000 0.0000 34246.5951 -149268.1079 299.0840 -183514.7030 -149166.7983 299.1645 160.9338 191.9222 556924.6009 1.1874 0.9668 LDB: ============= START OF LOAD BALANCING ============== 11657.9 LDB: ============== END OF LOAD BALANCING =============== 11657.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11657.9 LDB: ============= START OF LOAD BALANCING ============== 11658.2 LDB: Largest compute 4773 load 0.023677 is 20.1% of average load 0.117992 LDB: Average compute 0.001732 is 1.5% of average load 0.117992 LDB: TIME 11658.2 LOAD: AVG 0.117992 MAX 0.178653 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.664 MB LDB: TIME 11658.2 LOAD: AVG 0.117992 MAX 0.178653 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.664 MB LDB: TIME 11658.2 LOAD: AVG 0.117992 MAX 0.178653 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.664 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11658.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11658.2 PRESSURE: 4024400 -106.061 26.1846 -36.2802 26.1836 -110.575 -17.8515 -36.2792 -17.8506 -76.4755 GPRESSURE: 4024400 -86.4669 23.3155 52.4312 -25.5328 -64.5989 -33.8931 -42.7735 77.8073 -49.9021 PRESSAVG: 4024400 -20.4295 35.837 -31.4908 35.837 52.1827 -60.4887 -31.4908 -60.4887 17.3086 GPRESSAVG: 4024400 -19.1785 40.3674 -31.0596 31.7596 51.0973 -60.6844 -30.9785 -59.7342 16.5947 TIMING: 4024400 CPU: 11655.1, 0.00292565/step Wall: 11655.1, 0.00292565/step, 0.792852 hours remaining, 209.640625 MB of memory in use. ENERGY: 4024400 805.8605 2133.1009 1937.7207 97.7646 -206411.6669 17806.9955 0.0000 0.0000 34231.8470 -149398.3777 298.9552 -183630.2247 -149305.6006 299.4444 -97.7039 -66.9893 558583.5427 16.3539 16.1712 PRESSURE: 4024600 77.2453 -18.2097 115.946 -18.2094 -45.5643 85.657 115.946 85.658 -164.838 GPRESSURE: 4024600 108.89 14.7955 17.618 -21.849 13.8268 125.931 183.601 64.2211 -146.554 PRESSAVG: 4024600 47.2133 -50.4708 8.21278 -50.4708 -8.90021 74.5324 8.21278 74.5322 12.7163 GPRESSAVG: 4024600 45.9555 -50.4544 8.79997 -49.4039 -7.7761 76.6449 6.98892 71.1829 13.5331 TIMING: 4024600 CPU: 11655.6, 0.00288555/step Wall: 11655.6, 0.00288555/step, 0.781823 hours remaining, 209.640625 MB of memory in use. ENERGY: 4024600 765.4835 2087.8149 1983.3739 106.3027 -206534.0487 17934.8319 0.0000 0.0000 34209.2267 -149447.0151 298.7577 -183656.2418 -149351.3771 299.9420 -44.3856 -7.9458 556726.3121 17.0098 17.2375 PRESSURE: 4024800 -118.994 98.1881 -59.1832 98.1881 -191.605 22.6734 -59.1834 22.6747 -162.574 GPRESSURE: 4024800 -129.389 91.4094 -71.7897 96.2453 -121.788 -3.69695 -50.4365 52.3538 -117.375 PRESSAVG: 4024800 -28.2808 -55.4357 27.7257 -55.4357 16.9524 3.60059 27.7257 3.60068 12.4572 GPRESSAVG: 4024800 -27.8445 -56.0557 26.4041 -54.4348 17.7555 0.793741 29.1829 4.96734 11.6299 TIMING: 4024800 CPU: 11656.2, 0.00288981/step Wall: 11656.2, 0.00288981/step, 0.782816 hours remaining, 209.640625 MB of memory in use. ENERGY: 4024800 739.6141 2123.0029 1972.0099 132.0508 -205512.3419 17296.6386 0.0000 0.0000 33953.7060 -149295.3196 296.5262 -183249.0256 -149200.4867 298.9582 -157.7245 -122.8504 557259.4082 0.3762 0.5136 PRESSURE: 4025000 13.9384 -31.0074 21.8307 -31.0077 -144.77 -26.0376 21.8315 -26.0373 -231.922 GPRESSURE: 4025000 29.823 62.7144 79.3252 -82.796 -92.6011 88.2387 31.2557 -71.6044 -217.684 PRESSAVG: 4025000 18.9751 6.13949 2.80125 6.13936 -5.3737 -10.4795 2.80124 -10.4795 -8.00215 GPRESSAVG: 4025000 19.8906 7.76408 3.08726 3.92162 -5.89617 -10.7687 3.37095 -9.23228 -8.24589 TIMING: 4025000 CPU: 11656.8, 0.00287096/step Wall: 11656.8, 0.00287096/step, 0.77755 hours remaining, 209.640625 MB of memory in use. ENERGY: 4025000 783.9558 2158.2574 1945.4656 94.7541 -206418.6895 17746.2092 0.0000 0.0000 34412.0470 -149278.0005 300.5290 -183690.0474 -149182.6629 298.9206 -120.9177 -93.4874 556353.7391 1.8664 1.9162 PRESSURE: 4025200 281.235 41.1056 84.1548 41.1061 62.1396 110.885 84.1559 110.885 112.483 GPRESSURE: 4025200 336.307 17.4637 109.069 129.546 60.9883 4.41331 88.0277 130.161 150.285 PRESSAVG: 4025200 51.074 -10.7819 42.8443 -10.7819 -67.9328 -4.53953 42.8442 -4.53955 43.6449 GPRESSAVG: 4025200 50.4817 -12.1623 45.2296 -8.40972 -69.9348 -3.13297 41.9519 -5.33697 45.5795 TIMING: 4025200 CPU: 11657.4, 0.00288328/step Wall: 11657.4, 0.00288329/step, 0.78073 hours remaining, 209.640625 MB of memory in use. ENERGY: 4025200 758.1158 2117.1730 1919.6703 112.7489 -206294.6216 17730.1171 0.0000 0.0000 34320.5433 -149336.2531 299.7298 -183656.7964 -149247.7250 299.2476 151.9523 182.5269 556888.2431 8.9287 8.7088 PRESSURE: 4025400 -329.897 172.295 -58.3969 172.295 219.061 18.5799 -58.3966 18.5812 -173.569 GPRESSURE: 4025400 -241.428 199.255 -112.507 194.571 207.901 -89.1117 -25.4843 34.385 -154.245 PRESSAVG: 4025400 -26.1257 -14.2174 -78.6056 -14.2173 70.7916 18.3948 -78.6057 18.3947 -28.3989 GPRESSAVG: 4025400 -24.7768 -14.5124 -82.4901 -12.9565 72.0719 16.9673 -76.9797 21.4744 -30.7501 TIMING: 4025400 CPU: 11658, 0.00287959/step Wall: 11658, 0.00287959/step, 0.779568 hours remaining, 209.640625 MB of memory in use. ENERGY: 4025400 815.0067 2140.6468 1938.6372 109.1976 -206010.4356 17605.9437 0.0000 0.0000 34175.5963 -149225.4073 298.4640 -183401.0036 -149128.0321 299.6030 -94.8017 -62.5905 557444.3988 5.4223 5.5150 PRESSURE: 4025600 4.21509 67.6049 13.9055 67.6036 -18.269 -127.924 13.9049 -127.925 63.7209 GPRESSURE: 4025600 -17.0951 52.7436 -9.25122 -6.46568 51.1269 -161.042 65.9175 -39.7099 122.14 PRESSAVG: 4025600 -28.936 71.0595 -27.0862 71.0593 36.7958 -45.5181 -27.086 -45.518 -24.9401 GPRESSAVG: 4025600 -30.0247 70.6709 -26.6253 70.2869 35.9949 -43.9714 -27.799 -49.0144 -22.9628 TIMING: 4025600 CPU: 11658.5, 0.00286763/step Wall: 11658.5, 0.00286763/step, 0.776171 hours remaining, 209.640625 MB of memory in use. ENERGY: 4025600 702.8479 2146.5967 1962.0456 102.6185 -206193.4424 17747.7240 0.0000 0.0000 34457.0109 -149074.5987 300.9216 -183531.6096 -148987.0402 298.9508 16.5557 52.0573 558181.4938 -5.6934 -5.6642 PRESSURE: 4025800 -208.781 10.8492 -199.494 10.8494 -65.1414 72.4018 -199.496 72.4009 -356.254 GPRESSURE: 4025800 -219.013 -45.7558 -172.705 58.619 -99.7924 24.9924 -181.038 17.6892 -209.627 PRESSAVG: 4025800 3.75241 -19.5468 73.9513 -19.5468 -3.12518 63.0165 73.9513 63.0166 36.5703 GPRESSAVG: 4025800 3.90642 -18.4919 75.4143 -21.7522 -3.35208 63.1894 74.6823 65.7594 36.729 TIMING: 4025800 CPU: 11659.1, 0.00287579/step Wall: 11659.1, 0.00287579/step, 0.77822 hours remaining, 209.640625 MB of memory in use. ENERGY: 4025800 729.6438 2062.1033 1939.4945 113.1999 -205781.0746 17523.6970 0.0000 0.0000 34412.7292 -149000.2069 300.5349 -183412.9362 -148902.9074 299.9118 -210.0586 -176.1442 559989.7355 12.3992 12.4278 PRESSURE: 4026000 -37.6738 149.752 -230.969 149.753 -11.1508 -113.351 -230.969 -113.351 131.214 GPRESSURE: 4026000 2.93424 69.8275 -117.861 94.889 68.1693 -31.7467 -231.438 -123.783 129.274 PRESSAVG: 4026000 4.31174 5.47103 -51.0363 5.47104 -43.9732 15.358 -51.0364 15.358 40.8155 GPRESSAVG: 4026000 3.90061 6.65395 -48.7243 6.85613 -43.6212 16.1527 -52.7989 12.6961 41.0962 TIMING: 4026000 CPU: 11659.7, 0.00286941/step Wall: 11659.7, 0.00286941/step, 0.776334 hours remaining, 209.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4026000 720.5922 2005.3974 1939.4358 104.3583 -206019.9166 17920.0893 0.0000 0.0000 34427.0995 -148902.9443 300.6604 -183330.0437 -148807.7409 299.6440 27.4632 66.7927 559106.1952 0.3847 0.4585 PRESSURE: 4026200 36.0247 -55.9353 -95.2777 -55.9347 -262.338 -88.0354 -95.2779 -88.0351 102.451 GPRESSURE: 4026200 109.32 -54.6122 -150.34 -5.31385 -241.985 -191.964 -201.515 -69.2992 103.045 PRESSAVG: 4026200 26.7164 -40.8972 -46.0602 -40.8971 -53.5562 -0.928868 -46.0601 -0.928945 13.5697 GPRESSAVG: 4026200 27.3337 -42.5416 -47.4684 -40.4779 -53.885 -1.4748 -46.0608 -0.228127 13.6917 TIMING: 4026200 CPU: 11660.3, 0.00288305/step Wall: 11660.3, 0.00288305/step, 0.779865 hours remaining, 209.640625 MB of memory in use. ENERGY: 4026200 740.1570 2072.1083 1939.5842 120.4673 -206116.9067 17753.2026 0.0000 0.0000 34478.8544 -149012.5329 301.1124 -183491.3873 -148910.0766 300.2097 -41.2875 -9.8734 557691.5659 -4.4234 -4.2865 PRESSURE: 4026400 -96.0806 88.6923 150.947 88.6925 68.5136 -66.2701 150.948 -66.2696 142.356 GPRESSURE: 4026400 -73.9236 66.6777 116.787 61.6499 113.697 -16.9905 123.948 -143.751 179.405 PRESSAVG: 4026400 36.7984 9.95923 -14.6674 9.95918 -53.4785 -11.067 -14.6674 -11.067 13.6756 GPRESSAVG: 4026400 36.0327 10.4772 -16.9137 9.53856 -53.1444 -12.9289 -12.1814 -9.03673 14.5509 TIMING: 4026400 CPU: 11660.8, 0.00287377/step Wall: 11660.8, 0.00287377/step, 0.777196 hours remaining, 209.640625 MB of memory in use. ENERGY: 4026400 747.5336 2078.9374 1981.3770 118.5102 -206099.1720 17757.8590 0.0000 0.0000 34244.9372 -149170.0176 299.0696 -183414.9548 -149075.2311 299.7302 38.2632 73.0593 556895.4049 -1.0015 -0.8536 PRESSURE: 4026600 -215.259 10.4007 87.2878 10.4004 -81.4235 -105.322 87.2868 -105.321 -72.9758 GPRESSURE: 4026600 -196.502 -54.1271 75.4412 51.8873 -24.0399 -101.837 32.4458 -152.383 -28.624 PRESSAVG: 4026600 -11.8207 -8.95235 2.20978 -8.95232 36.7733 -21.2271 2.2097 -21.2271 -14.2086 GPRESSAVG: 4026600 -12.2258 -8.52201 2.40942 -8.1982 36.9242 -19.9402 0.940667 -23.4798 -14.2169 TIMING: 4026600 CPU: 11661.4, 0.00287835/step Wall: 11661.4, 0.00287835/step, 0.778274 hours remaining, 209.640625 MB of memory in use. ENERGY: 4026600 710.0329 2104.8086 1917.1161 120.2115 -206019.0728 17699.0474 0.0000 0.0000 34472.9022 -148994.9541 301.0604 -183467.8563 -148895.1349 299.2876 -123.2195 -83.0552 559765.5892 3.5813 3.4938 PRESSURE: 4026800 243.507 12.937 -11.1231 12.9379 -197.19 -50.8134 -11.1223 -50.8134 -183.578 GPRESSURE: 4026800 180.796 -37.9023 -47.2724 29.1284 -138.031 -58.5442 37.8031 -17.9801 -88.4674 PRESSAVG: 4026800 38.1536 21.9157 7.72988 21.9157 -50.2875 -9.37048 7.7299 -9.37044 -3.97386 GPRESSAVG: 4026800 39.3268 20.9583 8.67665 21.4077 -50.2696 -11.5023 7.21129 -9.4183 -5.39071 TIMING: 4026800 CPU: 11662, 0.00289125/step Wall: 11662, 0.00289125/step, 0.781601 hours remaining, 209.640625 MB of memory in use. ENERGY: 4026800 759.1398 2121.1456 1923.7972 110.5027 -205760.6296 17643.6597 0.0000 0.0000 34195.7310 -149006.6536 298.6398 -183202.3847 -148906.9035 299.5163 -45.7533 -15.2341 558183.5085 -5.3693 -5.4445 PRESSURE: 4027000 126.206 6.92342 131.546 6.92256 97.1315 126.086 131.547 126.086 171.146 GPRESSURE: 4027000 146.003 87.6618 204.939 23.3613 132.728 102.343 131.808 128.597 203.312 PRESSAVG: 4027000 28.539 -6.46906 -3.04113 -6.46898 18.57 -9.44799 -3.04113 -9.44802 -67.2419 GPRESSAVG: 4027000 28.427 -4.30665 -3.07875 -6.70337 19.4591 -6.28317 -2.05845 -11.2033 -68.1357 TIMING: 4027000 CPU: 11662.6, 0.00287824/step Wall: 11662.6, 0.00287824/step, 0.777925 hours remaining, 209.640625 MB of memory in use. ENERGY: 4027000 723.4944 2122.8645 1942.5424 120.9146 -206120.1915 17882.6654 0.0000 0.0000 34348.1961 -148979.5141 299.9713 -183327.7101 -148889.7238 299.8681 131.4948 160.6813 557316.2945 -6.7110 -6.7498 PRESSURE: 4027200 -192.927 89.6365 165.718 89.6341 -52.8795 -57.6115 165.719 -57.6125 13.3657 GPRESSURE: 4027200 -123.658 74.5005 97.0437 78.6436 -81.7788 -22.1837 190.622 9.68903 69.0979 PRESSAVG: 4027200 29.0079 49.5866 66.0324 49.5865 -8.73822 -27.1716 66.0325 -27.1715 -15.6828 GPRESSAVG: 4027200 28.3466 47.6978 65.1879 49.3232 -9.57104 -27.1546 66.343 -26.3447 -14.5054 TIMING: 4027200 CPU: 11663.1, 0.0028815/step Wall: 11663.1, 0.0028815/step, 0.778646 hours remaining, 209.640625 MB of memory in use. ENERGY: 4027200 743.5175 2104.4141 1969.1797 103.7943 -206076.6395 17686.7674 0.0000 0.0000 34540.6601 -148928.3064 301.6522 -183468.9665 -148838.0478 300.0177 -77.4802 -45.4462 557434.6307 1.5290 1.4234 PRESSURE: 4027400 -147.943 -85.3477 -66.0797 -85.347 -305.461 33.8351 -66.08 33.8336 -287.257 GPRESSURE: 4027400 -111.124 -22.7615 -50.0493 -49.229 -284.939 71.2287 -130.263 -3.64908 -255.329 PRESSAVG: 4027400 23.5493 2.61064 -20.2679 2.6107 -53.1833 -12.2101 -20.2679 -12.21 26.2468 GPRESSAVG: 4027400 24.8954 2.51641 -18.6788 1.59305 -52.6149 -12.6742 -21.9174 -11.2101 24.4358 TIMING: 4027400 CPU: 11663.7, 0.00287995/step Wall: 11663.7, 0.00287995/step, 0.778066 hours remaining, 209.640625 MB of memory in use. ENERGY: 4027400 787.5760 2102.8226 1967.6853 116.0421 -205401.2183 17363.0490 0.0000 0.0000 34065.1813 -148998.8620 297.4997 -183064.0434 -148906.4246 299.7768 -246.8869 -217.1307 558656.0974 -1.1291 -1.0946 PRESSURE: 4027600 68.6084 47.4441 51.3749 47.4451 -44.4921 5.85576 51.3749 5.85513 -87.3429 GPRESSURE: 4027600 143.333 13.9639 2.10487 -29.914 -63.1053 6.16156 70.0846 -64.7851 -44.8945 PRESSAVG: 4027600 31.2848 0.441442 20.7082 0.441443 -46.9792 0.283902 20.708 0.283744 9.6819 GPRESSAVG: 4027600 30.3682 0.600888 20.0798 1.57052 -45.8593 -0.626353 21.0709 1.09116 9.4763 TIMING: 4027600 CPU: 11664.3, 0.00288825/step Wall: 11664.3, 0.00288825/step, 0.780149 hours remaining, 209.640625 MB of memory in use. ENERGY: 4027600 720.9550 2043.3755 1934.8080 122.1498 -205795.6305 17615.5763 0.0000 0.0000 34364.6360 -148994.1299 300.1149 -183358.7659 -148887.8492 299.4973 -21.0755 11.7779 556816.5371 -2.0042 -2.0050 PRESSURE: 4027800 32.4089 -40.9608 -123.168 -40.9618 -38.7646 51.4946 -123.167 51.4947 251.501 GPRESSURE: 4027800 63.5631 -40.5068 -121.526 -4.60986 -4.85153 125.645 -144.979 46.1924 262.442 PRESSAVG: 4027800 -29.7979 -40.6217 5.37051 -40.6217 1.04855 -8.59551 5.37047 -8.59558 42.4672 GPRESSAVG: 4027800 -30.7654 -40.8688 5.83021 -41.4311 0.463878 -8.1067 6.15114 -8.90263 43.3991 TIMING: 4027800 CPU: 11664.9, 0.00287684/step Wall: 11664.9, 0.00287684/step, 0.776906 hours remaining, 209.640625 MB of memory in use. ENERGY: 4027800 731.0054 2028.8485 1970.9168 108.3451 -205921.3727 17848.1574 0.0000 0.0000 34384.5233 -148849.5761 300.2886 -183234.0993 -148752.8455 299.9605 81.7152 107.0511 556280.9962 4.5726 4.3658 PRESSURE: 4028000 -61.0585 53.3426 24.4586 53.3417 -411.161 50.0047 24.4596 50.0044 -217.789 GPRESSURE: 4028000 7.93215 57.8843 -35.9093 -8.42825 -399.786 32.6172 59.3092 7.83008 -206.271 PRESSAVG: 4028000 -66.6375 -27.5125 -28.6185 -27.5125 22.1283 53.9867 -28.6185 53.9868 61.9564 GPRESSAVG: 4028000 -65.6398 -28.3264 -28.0715 -27.1383 21.7598 53.8813 -27.9603 52.0814 61.2783 TIMING: 4028000 CPU: 11665.4, 0.00288823/step Wall: 11665.4, 0.00288823/step, 0.779822 hours remaining, 209.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4028000 734.9528 2109.5931 1932.0932 109.6658 -205742.3921 17445.7613 0.0000 0.0000 34406.3158 -149004.0101 300.4789 -183410.3259 -148903.1756 300.0306 -230.0029 -199.3750 556233.9143 5.8157 5.7994 PRESSURE: 4028200 64.048 -26.286 -50.117 -26.285 -129.11 86.7222 -50.1166 86.7219 -227.576 GPRESSURE: 4028200 91.5324 -50.1244 19.8123 -61.5599 -124.827 48.6492 -15.9625 175.583 -168.619 PRESSAVG: 4028200 80.9824 -30.5927 56.2203 -30.5926 -51.0442 8.50967 56.2203 8.50966 -47.4713 GPRESSAVG: 4028200 80.6911 -28.2477 55.2224 -30.9944 -52.984 7.97995 56.2925 10.9226 -46.0439 TIMING: 4028200 CPU: 11666, 0.00288801/step Wall: 11666, 0.00288801/step, 0.779602 hours remaining, 209.640625 MB of memory in use. ENERGY: 4028200 735.0427 1990.1205 1955.8086 124.7000 -205929.7214 17647.4656 0.0000 0.0000 34270.2160 -149206.3679 299.2903 -183476.5839 -149105.3545 299.9430 -97.5460 -67.3046 557529.5039 -5.8444 -6.1123 LDB: ============= START OF LOAD BALANCING ============== 11669.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11669.4 LDB: =============== DONE WITH MIGRATION ================ 11669.4 LDB: ============= START OF LOAD BALANCING ============== 11669.7 LDB: Largest compute 4773 load 0.023677 is 20.1% of average load 0.118078 LDB: Average compute 0.001720 is 1.5% of average load 0.118078 LDB: TIME 11669.7 LOAD: AVG 0.118078 MAX 0.178058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.719 MB LDB: TIME 11669.7 LOAD: AVG 0.118078 MAX 0.178058 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.719 MB LDB: TIME 11669.7 LOAD: AVG 0.118078 MAX 0.178058 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.719 MB LDB: ============== END OF LOAD BALANCING =============== 11669.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11669.7 PRESSURE: 4028400 43.2392 12.3717 -57.9798 12.3706 -250.66 -66.7893 -57.9798 -66.7897 78.6866 GPRESSURE: 4028400 10.829 70.648 41.8494 34.1774 -169.167 -127.385 -35.7144 51.7674 128.234 PRESSAVG: 4028400 13.5939 -42.8494 -15.4368 -42.8493 -43.2633 -5.3688 -15.4367 -5.36884 -26.6702 GPRESSAVG: 4028400 14.4585 -44.2899 -13.8594 -43.2361 -42.8329 -4.23922 -16.1664 -3.41361 -27.4718 TIMING: 4028400 CPU: 11666.6, 0.00294815/step Wall: 11666.6, 0.00294815/step, 0.795674 hours remaining, 212.402344 MB of memory in use. ENERGY: 4028400 712.2692 2103.5188 1981.5503 107.6240 -205865.4977 17426.1904 0.0000 0.0000 34321.1235 -149213.2215 299.7349 -183534.3450 -149114.3219 299.5257 -42.9115 -10.0347 556900.2372 -18.7799 -18.6154 PRESSURE: 4028600 -305.285 -114.87 149.008 -114.87 107.147 75.8943 149.008 75.8939 -235.192 GPRESSURE: 4028600 -270.341 -118.125 139.217 -135.507 156.689 62.1932 170.874 125.812 -219.788 PRESSAVG: 4028600 -15.4067 2.91399 -28.727 2.91396 8.40261 9.13815 -28.7271 9.13816 44.5122 GPRESSAVG: 4028600 -16.0906 2.5374 -30.379 4.78331 9.17398 10.2824 -29.2293 5.36009 44.2411 TIMING: 4028600 CPU: 11667.2, 0.00288272/step Wall: 11667.2, 0.00288272/step, 0.777853 hours remaining, 212.605469 MB of memory in use. ENERGY: 4028600 793.9494 2082.5084 1959.6384 100.8200 -205950.3160 17566.9353 0.0000 0.0000 34217.8337 -149228.6308 298.8329 -183446.4646 -149131.9351 299.5236 -144.4433 -111.1465 556995.0731 12.5027 12.4415 PRESSURE: 4028800 4.06667 -84.869 7.02468 -84.8697 236.937 182.714 7.0247 182.713 -9.27722 GPRESSURE: 4028800 28.9359 -127.371 65.8058 28.0088 236.001 312.046 -55.3457 54.8839 68.7077 PRESSAVG: 4028800 11.5901 -51.3399 -15.5848 -51.34 -1.15694 81.938 -15.5848 81.938 -9.64136 GPRESSAVG: 4028800 12.0384 -50.9767 -16.1096 -51.0815 -1.6615 82.9577 -16.7768 83.5699 -9.4109 TIMING: 4028800 CPU: 11667.8, 0.00286454/step Wall: 11667.8, 0.00286454/step, 0.77279 hours remaining, 212.605469 MB of memory in use. ENERGY: 4028800 723.9120 2045.5928 1967.9345 110.5470 -206349.2116 17842.0941 0.0000 0.0000 34383.6508 -149275.4805 300.2810 -183659.1313 -149178.8112 299.1112 77.2420 111.2150 555239.9281 0.2639 0.3220 PRESSURE: 4029000 -242.07 212.276 -17.2634 212.277 -128.876 169.503 -17.2631 169.501 -98.3052 GPRESSURE: 4029000 -152.932 218.472 -54.9507 202.516 -160.766 128.211 -13.2432 209.883 -53.9385 PRESSAVG: 4029000 -13.4004 -11.3537 34.4111 -11.3538 -30.8947 96.2913 34.411 96.2912 31.5143 GPRESSAVG: 4029000 -13.1739 -12.3737 35.1786 -11.0117 -31.0015 94.3127 33.8071 94.5113 31.0717 TIMING: 4029000 CPU: 11668.3, 0.00286232/step Wall: 11668.3, 0.00286232/step, 0.772032 hours remaining, 212.605469 MB of memory in use. ENERGY: 4029000 735.6153 2014.9260 1948.1180 127.2590 -205884.6987 17611.6825 0.0000 0.0000 34039.2504 -149407.8474 297.2732 -183447.0978 -149310.5464 298.8146 -156.4171 -122.5457 559268.0817 -4.2603 -4.3679 PRESSURE: 4029200 141.142 44.4298 -18.1137 44.4309 -13.7975 282.606 -18.1145 282.605 249.007 GPRESSURE: 4029200 178.551 49.2984 -78.1382 31.938 22.0372 217.174 71.2399 261.838 277.345 PRESSAVG: 4029200 -79.0814 59.7899 -20.5804 59.7899 23.5243 72.2654 -20.5804 72.2654 18.9293 GPRESSAVG: 4029200 -80.2037 61.9921 -21.7578 58.6871 24.7924 70.9942 -17.9375 72.6825 18.6495 TIMING: 4029200 CPU: 11668.9, 0.00287271/step Wall: 11668.9, 0.00287271/step, 0.774674 hours remaining, 212.605469 MB of memory in use. ENERGY: 4029200 727.4464 2001.7983 1966.1557 113.6933 -207042.7126 18224.3101 0.0000 0.0000 34526.4665 -149482.8424 301.5282 -184009.3088 -149387.7615 298.7891 125.4505 159.3109 556808.9472 -12.2093 -12.2539 PRESSURE: 4029400 -173.316 -13.4982 -44.0975 -13.4974 -74.7775 108.889 -44.0978 108.889 -336.012 GPRESSURE: 4029400 -201.306 49.0974 -140.632 15.304 -9.98973 66.23 45.7639 83.1647 -266.728 PRESSAVG: 4029400 -18.7738 7.9765 8.85782 7.97645 7.12886 32.7545 8.85782 32.7545 27.4646 GPRESSAVG: 4029400 -18.0731 6.94963 9.08482 8.74539 7.33129 32.5819 7.78535 33.1458 26.7809 TIMING: 4029400 CPU: 11669.5, 0.00288868/step Wall: 11669.5, 0.00288868/step, 0.77882 hours remaining, 212.605469 MB of memory in use. ENERGY: 4029400 775.2950 2028.3830 1962.7176 104.0778 -206362.8227 17622.1952 0.0000 0.0000 34426.6792 -149443.4749 300.6568 -183870.1540 -149348.1650 298.5888 -194.7020 -159.3411 556443.8179 5.2732 5.3464 PRESSURE: 4029600 -243.64 139.954 101.118 139.953 -191.799 111.308 101.117 111.308 -90.5774 GPRESSURE: 4029600 -268.121 90.1226 118.478 102.853 -133.447 80.2657 29.975 195.159 -33.5166 PRESSAVG: 4029600 -29.6547 -16.1571 -1.25864 -16.1571 37.7731 53.9342 -1.2586 53.9341 -41.5016 GPRESSAVG: 4029600 -30.2762 -14.4274 -0.854497 -16.1459 38.6385 53.2953 -1.87038 55.616 -41.1196 TIMING: 4029600 CPU: 11670.1, 0.00286684/step Wall: 11670.1, 0.00286684/step, 0.772772 hours remaining, 212.605469 MB of memory in use. ENERGY: 4029600 785.8983 2071.4222 1979.1465 120.9666 -206137.2237 17458.0367 0.0000 0.0000 34109.7848 -149611.9686 297.8892 -183721.7535 -149516.7224 298.7486 -175.3387 -145.0282 556540.4490 -11.1277 -10.9191 PRESSURE: 4029800 -253.094 84.5566 78.7123 84.5573 97.4051 -62.4214 78.712 -62.4203 36.9566 GPRESSURE: 4029800 -175.282 41.8787 127.371 71.253 111.27 -86.5223 90.5324 -32.1238 49.8377 PRESSAVG: 4029800 24.8492 31.6111 78.1784 31.6112 -28.2446 30.5509 78.1785 30.551 6.30748 GPRESSAVG: 4029800 23.21 30.3098 78.0792 30.674 -28.9294 32.6228 79.501 28.1647 7.75502 TIMING: 4029800 CPU: 11670.6, 0.00285851/step Wall: 11670.6, 0.00285851/step, 0.770368 hours remaining, 212.605469 MB of memory in use. ENERGY: 4029800 749.8311 2073.8868 1961.7753 113.4128 -206408.2609 17805.0058 0.0000 0.0000 34233.5167 -149470.8324 298.9698 -183704.3491 -149373.8757 298.8370 -39.5775 -4.7247 555577.2246 0.9707 0.6785 PRESSURE: 4030000 -45.1178 254.402 -29.9737 254.402 -253.36 -98.1196 -29.9737 -98.121 -36.6429 GPRESSURE: 4030000 -44.0646 288.039 -125.66 203.165 -212.148 -42.6993 38.7438 -41.7331 21.5353 PRESSAVG: 4030000 0.225808 -14.4001 44.7963 -14.4002 -12.7484 1.97638 44.7962 1.97632 36.7511 GPRESSAVG: 4030000 0.656137 -13.2881 45.0547 -16.0133 -13.7817 1.83133 43.983 3.35622 37.0714 TIMING: 4030000 CPU: 11671.2, 0.00286482/step Wall: 11671.2, 0.00286482/step, 0.771911 hours remaining, 212.605469 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: 4030000 702.8112 2076.5999 1960.7650 113.5293 -206309.7091 17468.1513 0.0000 0.0000 34342.0750 -149645.7773 299.9179 -183987.8523 -149555.3111 298.6046 -111.7070 -78.2259 555281.2104 8.0762 7.9819 PRESSURE: 4030200 60.5927 87.0377 -160.111 87.0376 101.68 -88.3009 -160.111 -88.3004 118.432 GPRESSURE: 4030200 30.8847 84.3286 -231.837 66.0306 156.031 42.0117 -107.858 -129.861 186.821 PRESSAVG: 4030200 -47.8439 30.7811 43.2833 30.7812 -24.0432 -25.3762 43.2834 -25.3762 67.9014 GPRESSAVG: 4030200 -47.373 30.5355 42.4747 32.5987 -23.1452 -26.7421 45.7884 -24.4189 66.3725 TIMING: 4030200 CPU: 11671.8, 0.00286878/step Wall: 11671.8, 0.00286878/step, 0.772816 hours remaining, 212.605469 MB of memory in use. ENERGY: 4030200 705.9921 2054.5220 1953.7568 110.7011 -206554.5501 17958.5048 0.0000 0.0000 34176.5446 -149594.5286 298.4723 -183771.0732 -149497.8388 298.1231 93.5679 124.5790 556320.3936 -1.3285 -1.3819 PRESSURE: 4030400 61.0927 -17.2742 -8.72454 -17.275 24.7706 19.8432 -8.72452 19.8452 -409.358 GPRESSURE: 4030400 111.182 -67.3978 -3.68356 48.4888 34.3717 -7.92061 43.8285 -67.0422 -372.378 PRESSAVG: 4030400 22.1289 -29.1918 -2.18969 -29.1917 10.7341 18.844 -2.18975 18.844 20.0477 GPRESSAVG: 4030400 22.347 -30.0521 -2.60586 -28.4521 9.82985 18.6539 -3.34419 18.5846 21.2658 TIMING: 4030400 CPU: 11672.3, 0.00287563/step Wall: 11672.3, 0.00287563/step, 0.774503 hours remaining, 212.605469 MB of memory in use. ENERGY: 4030400 747.5657 2092.7478 1967.1138 115.1051 -206329.3695 17731.4082 0.0000 0.0000 33978.2812 -149697.1477 296.7408 -183675.4288 -149601.3665 297.7491 -107.8315 -75.6082 557571.1643 17.6369 17.8142 PRESSURE: 4030600 -238.593 -155.902 14.4592 -155.902 -197.766 93.1647 14.4601 93.1649 -445.481 GPRESSURE: 4030600 -195.589 -120.489 3.58839 -178.484 -132.876 -48.1844 -55.3266 103.283 -459.85 PRESSAVG: 4030600 -20.2426 -32.7964 -40.8534 -32.7964 25.0459 -1.92953 -40.8533 -1.92971 31.6686 GPRESSAVG: 4030600 -19.8216 -32.4188 -39.2316 -31.4963 25.7297 -0.628264 -42.9566 -2.95448 31.7101 TIMING: 4030600 CPU: 11672.9, 0.00287176/step Wall: 11672.9, 0.00287176/step, 0.773302 hours remaining, 212.605469 MB of memory in use. ENERGY: 4030600 732.8108 2037.4922 1975.4875 119.8844 -205914.4795 17378.1902 0.0000 0.0000 34057.1517 -149613.4627 297.4296 -183670.6144 -149520.8051 297.7127 -293.9468 -262.7719 556645.4491 12.1573 12.5394 PRESSURE: 4030800 26.9442 -142.908 95.8873 -142.908 -173.194 -95.0225 95.8877 -95.0219 258.188 GPRESSURE: 4030800 34.8084 -149.661 170.395 -134.164 -148.578 -16.0494 29.2082 -90.5078 322.47 PRESSAVG: 4030800 57.2843 32.7442 -54.0267 32.7443 -21.3925 15.8047 -54.0267 15.8046 12.4392 GPRESSAVG: 4030800 57.2187 32.4671 -54.9157 32.441 -19.7057 14.5686 -51.7874 16.3187 11.1047 TIMING: 4030800 CPU: 11673.5, 0.00287758/step Wall: 11673.5, 0.00287758/step, 0.774708 hours remaining, 212.605469 MB of memory in use. ENERGY: 4030800 721.7521 2038.6220 1946.7995 102.8698 -206316.2707 17769.3795 0.0000 0.0000 34230.3962 -149506.4515 298.9426 -183736.8478 -149407.8872 298.6945 37.3127 69.5668 555866.5362 16.1103 16.2059 PRESSURE: 4031000 65.6124 -157.513 -240.903 -157.513 -332.202 178.555 -240.903 178.554 31.2957 GPRESSURE: 4031000 102.192 -97.5931 -220.822 -210.734 -285.765 68.1368 -170.882 229.635 43.8927 PRESSAVG: 4031000 20.4411 27.2448 -6.91498 27.2447 -16.9946 -12.9487 -6.91495 -12.9487 -7.84731 GPRESSAVG: 4031000 20.947 27.9693 -7.76929 25.8199 -18.754 -12.2316 -9.48214 -12.7254 -5.98276 TIMING: 4031000 CPU: 11674.1, 0.00289037/step Wall: 11674.1, 0.00289037/step, 0.777992 hours remaining, 212.605469 MB of memory in use. ENERGY: 4031000 775.9593 2063.5240 1971.2141 110.6812 -206231.2859 17704.7039 0.0000 0.0000 34082.9423 -149522.2612 297.6548 -183605.2035 -149429.6348 299.2753 -78.4314 -46.5602 556605.0717 -1.4669 -1.2632 PRESSURE: 4031200 96.109 172.56 142.583 172.56 -101.171 77.4988 142.583 77.4978 98.1124 GPRESSURE: 4031200 102.038 210.094 157.711 151.901 -71.2099 45.647 124.025 152.296 162.216 PRESSAVG: 4031200 34.7978 37.9596 2.90314 37.9596 -10.817 -54.8525 2.90316 -54.8525 -84.9459 GPRESSAVG: 4031200 35.2927 37.5002 3.76312 39.8363 -9.94229 -55.2669 4.97922 -55.9669 -85.5919 TIMING: 4031200 CPU: 11674.7, 0.00289076/step Wall: 11674.7, 0.00289076/step, 0.777936 hours remaining, 212.605469 MB of memory in use. ENERGY: 4031200 735.0404 2106.7760 1926.5349 130.6089 -206367.9461 17802.6011 0.0000 0.0000 34018.0191 -149648.3656 297.0878 -183666.3847 -149553.5126 297.9107 31.0168 64.3479 557210.5888 -20.3217 -20.0805 PRESSURE: 4031400 -62.7873 -53.0838 -92.4225 -53.0846 242.11 -16.3611 -92.423 -16.3616 -38.0143 GPRESSURE: 4031400 -26.5111 -69.4287 2.26314 -51.9438 208.52 -6.81654 -132.778 -58.1833 56.3649 PRESSAVG: 4031400 10.2872 -31.8653 -22.8151 -31.8653 -31.4237 -29.731 -22.8151 -29.731 -27.3978 GPRESSAVG: 4031400 9.30189 -32.8898 -23.4643 -32.008 -31.5213 -31.737 -23.8061 -26.9486 -26.3 TIMING: 4031400 CPU: 11675.2, 0.00289223/step Wall: 11675.2, 0.00289223/step, 0.778169 hours remaining, 212.605469 MB of memory in use. ENERGY: 4031400 691.5591 2061.6459 1950.7617 110.2725 -206546.2572 18031.8550 0.0000 0.0000 34181.7257 -149518.4373 298.5175 -183700.1630 -149424.4863 297.6498 47.1029 79.4580 558559.8002 -16.1781 -16.1732 PRESSURE: 4031600 42.1818 53.8123 31.2633 53.8119 385.251 -181.239 31.2633 -181.237 62.0954 GPRESSURE: 4031600 86.5891 28.3317 7.25691 26.5179 391.317 -120.024 54.0468 -239.723 117.131 PRESSAVG: 4031600 4.23083 -63.3947 3.93359 -63.3947 75.2678 -28.1634 3.93352 -28.1633 -16.1061 GPRESSAVG: 4031600 4.49138 -62.5338 4.73525 -63.9651 75.6184 -27.5391 4.40125 -30.8015 -16.6887 TIMING: 4031600 CPU: 11675.8, 0.00288383/step Wall: 11675.8, 0.00288383/step, 0.775749 hours remaining, 212.605469 MB of memory in use. ENERGY: 4031600 736.2058 2034.6947 1948.8640 101.3750 -206120.0061 17907.0660 0.0000 0.0000 34071.7805 -149320.0201 297.5573 -183391.8006 -149217.5535 298.1341 163.1760 198.3457 556977.7076 21.1309 21.1404 PRESSURE: 4031800 75.7882 43.3332 -7.77069 43.3331 111.956 25.8152 -7.76964 25.8148 -153.093 GPRESSURE: 4031800 150.147 110.026 -51.5368 16.5392 106.475 23.0487 -15.5417 3.89052 -131.324 PRESSAVG: 4031800 -41.6833 -27.1667 -23.5129 -27.1667 68.224 51.6218 -23.513 51.6217 5.72711 GPRESSAVG: 4031800 -41.8872 -27.4862 -24.4721 -27.9135 67.3352 51.7241 -22.6465 51.689 7.0049 TIMING: 4031800 CPU: 11676.4, 0.00289109/step Wall: 11676.4, 0.00289109/step, 0.777542 hours remaining, 212.605469 MB of memory in use. ENERGY: 4031800 746.5024 2031.8564 1969.1681 109.2125 -206588.5289 17937.8636 0.0000 0.0000 34291.8165 -149502.1095 299.4790 -183793.9260 -149405.1112 298.7754 11.5506 41.7661 557378.7464 10.7559 10.8176 PRESSURE: 4032000 -12.8237 -108.641 18.0526 -108.643 69.7023 67.2081 18.0528 67.2076 -254.131 GPRESSURE: 4032000 71.2417 -182.606 -6.63971 -58.8768 75.9281 14.1981 72.8773 68.7136 -244.674 PRESSAVG: 4032000 -37.2955 10.5548 10.9744 10.5549 -5.82646 16.656 10.9745 16.6559 65.6655 GPRESSAVG: 4032000 -36.1967 11.3033 10.8198 11.8645 -4.88317 16.7496 10.2222 17.018 63.7996 TIMING: 4032000 CPU: 11677, 0.00289376/step Wall: 11677, 0.00289376/step, 0.778101 hours remaining, 212.675781 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: 4032000 751.1933 2034.7685 1940.9519 114.4906 -206398.6755 17874.1642 0.0000 0.0000 34253.7308 -149429.3762 299.1464 -183683.1070 -149338.4553 298.3468 -65.7509 -32.5012 558463.6666 7.5145 7.5732 PRESSURE: 4032200 216.458 -138.631 72.223 -138.632 -207.596 30.8075 72.2234 30.8073 129.698 GPRESSURE: 4032200 198.303 -121.747 -10.9823 -144.22 -156.215 -13.9316 56.883 43.1871 190.069 PRESSAVG: 4032200 74.4909 -36.6148 54.5208 -36.6148 -20.8429 -19.5492 54.5209 -19.5492 -38.5616 GPRESSAVG: 4032200 74.1873 -36.734 56.2642 -37.1864 -20.4898 -20.4935 53.0741 -20.3957 -39.183 TIMING: 4032200 CPU: 11677.5, 0.00286772/step Wall: 11677.5, 0.00286772/step, 0.770938 hours remaining, 212.675781 MB of memory in use. ENERGY: 4032200 756.1779 2095.2879 1956.0233 103.1556 -206192.6964 17947.9490 0.0000 0.0000 33975.7965 -149358.3061 296.7191 -183334.1027 -149263.8094 298.6001 46.1866 77.3859 559896.4862 5.0288 4.8382 LDB: ============= START OF LOAD BALANCING ============== 11680.9 LDB: ============== END OF LOAD BALANCING =============== 11680.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11680.9 LDB: ============= START OF LOAD BALANCING ============== 11681.2 LDB: Largest compute 4773 load 0.025313 is 21.4% of average load 0.118057 LDB: Average compute 0.001725 is 1.5% of average load 0.118057 LDB: TIME 11681.2 LOAD: AVG 0.118057 MAX 0.178614 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.641 MB LDB: TIME 11681.2 LOAD: AVG 0.118057 MAX 0.178614 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 11681.2 LOAD: AVG 0.118057 MAX 0.178614 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: ============== END OF LOAD BALANCING =============== 11681.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11681.2 PRESSURE: 4032400 -107.364 -186.778 59.5536 -186.779 -45.5244 24.5199 59.5521 24.5204 -158.846 GPRESSURE: 4032400 -62.263 -217.909 18.982 -56.1936 -30.5184 65.5469 57.0977 21.9519 -104.673 PRESSAVG: 4032400 6.05192 -19.6865 -7.01944 -19.6865 -4.98335 49.6432 -7.0193 49.6431 -42.6648 GPRESSAVG: 4032400 5.54294 -19.3554 -7.99594 -18.976 -5.23045 48.4063 -4.40427 50.3576 -41.6475 TIMING: 4032400 CPU: 11678.1, 0.00294153/step Wall: 11678.1, 0.00294153/step, 0.790619 hours remaining, 211.695312 MB of memory in use. ENERGY: 4032400 702.3662 2036.8663 1916.2560 94.7407 -206457.0087 17997.9460 0.0000 0.0000 34444.7568 -149264.0768 300.8146 -183708.8336 -149167.0095 298.0686 -103.9115 -65.8183 559081.7264 -13.8654 -13.7783 PRESSURE: 4032600 192.489 -40.8594 10.7515 -40.8586 -85.903 -36.5985 10.7512 -36.5985 331.605 GPRESSURE: 4032600 219.013 4.65214 47.1512 -41.9875 -107.234 -40.5702 -72.5977 -99.263 420.612 PRESSAVG: 4032600 78.7438 -24.6214 -0.0400201 -24.6213 -39.6968 5.53889 -0.039986 5.53878 -16.1562 GPRESSAVG: 4032600 78.7944 -24.3599 -0.89168 -25.7791 -40.4619 5.68636 0.389325 8.09346 -15.8224 TIMING: 4032600 CPU: 11678.7, 0.00288176/step Wall: 11678.7, 0.00288176/step, 0.774394 hours remaining, 211.695312 MB of memory in use. ENERGY: 4032600 714.3591 2041.2398 1934.0892 105.2361 -206271.3087 18009.2560 0.0000 0.0000 34126.8527 -149340.2758 298.0383 -183467.1285 -149243.4317 298.9737 146.0639 177.4637 556417.1920 7.6303 7.5034 PRESSURE: 4032800 -145.068 134.451 39.54 134.452 -216.217 -5.60329 39.5402 -5.6045 42.5049 GPRESSURE: 4032800 -116.568 137.427 92.2612 112.661 -180.15 9.50192 -79.5997 -56.627 74.1153 PRESSAVG: 4032800 22.3006 36.8477 3.12054 36.8478 10.98 -87.5268 3.1205 -87.5268 -36.6458 GPRESSAVG: 4032800 22.8986 35.9612 5.75071 35.7961 10.2669 -87.7097 -1.44846 -88.0726 -36.6475 TIMING: 4032800 CPU: 11679.3, 0.00288232/step Wall: 11679.3, 0.00288232/step, 0.774383 hours remaining, 211.695312 MB of memory in use. ENERGY: 4032800 724.6082 2046.2744 1935.5020 124.2408 -205801.4983 17537.3864 0.0000 0.0000 34162.5114 -149270.9753 298.3497 -183433.4866 -149180.7290 298.3733 -106.2599 -74.2010 558629.9884 -1.1218 -1.1606 PRESSURE: 4033000 -72.0115 -31.6987 -7.67639 -31.6988 -341.1 100.74 -7.67558 100.74 -68.7463 GPRESSURE: 4033000 -79.6691 -28.9926 -84.0364 -37.2881 -246.521 81.0165 -30.8234 80.3082 -49.8851 PRESSAVG: 4033000 9.59223 -9.86251 27.0396 -9.86254 -47.5669 43.045 27.0395 43.045 50.0236 GPRESSAVG: 4033000 8.48847 -9.37507 23.3916 -9.09875 -45.8786 45.3317 31.1127 39.9554 49.4173 TIMING: 4033000 CPU: 11679.9, 0.00287469/step Wall: 11679.9, 0.00287469/step, 0.772174 hours remaining, 211.695312 MB of memory in use. ENERGY: 4033000 736.1654 2120.5922 1943.9678 115.0184 -206255.8347 17763.8454 0.0000 0.0000 34264.0246 -149312.2209 299.2362 -183576.2455 -149216.0774 298.8398 -160.6193 -125.3585 558243.8979 4.0163 4.0090 PRESSURE: 4033200 -281.852 40.728 -71.7432 40.7285 -22.2676 22.0832 -71.7438 22.0829 -158.978 GPRESSURE: 4033200 -253.423 36.6923 -64.3194 27.6693 12.1747 190.428 -97.306 -44.3088 -116.607 PRESSAVG: 4033200 7.93251 -0.488794 -31.2855 -0.488924 -26.0889 50.9866 -31.2855 50.9866 10.1136 GPRESSAVG: 4033200 8.13809 -1.15741 -28.6286 0.00942514 -26.2947 50.5417 -32.7824 54.5075 9.9457 TIMING: 4033200 CPU: 11680.4, 0.0028795/step Wall: 11680.4, 0.0028795/step, 0.773307 hours remaining, 211.695312 MB of memory in use. ENERGY: 4033200 722.0729 2077.3549 1944.2999 116.4035 -205875.1753 17648.0271 0.0000 0.0000 34058.8012 -149308.2157 297.4440 -183367.0169 -149201.6899 298.8393 -154.3659 -119.2851 556955.6035 -2.6809 -2.7370 PRESSURE: 4033400 98.3593 107.965 -83.5102 107.964 -367.321 67.642 -83.5102 67.6403 -28.6442 GPRESSURE: 4033400 122.618 131.1 -27.41 59.0129 -263.569 76.7974 -191.425 64.0626 -54.0296 PRESSAVG: 4033400 18.1349 15.7142 18.2059 15.7142 41.5988 24.3596 18.2059 24.3596 -59.6433 GPRESSAVG: 4033400 17.7375 15.6327 18.0094 13.6677 41.4799 23.758 17.2954 22.6502 -59.4861 TIMING: 4033400 CPU: 11681, 0.00286345/step Wall: 11681, 0.00286345/step, 0.768835 hours remaining, 211.695312 MB of memory in use. ENERGY: 4033400 745.5093 2054.8040 1963.1321 109.1421 -205966.9699 17717.1480 0.0000 0.0000 34042.1742 -149335.0602 297.2988 -183377.2344 -149236.6972 299.1106 -99.2020 -64.9936 558886.5617 0.0301 -0.0896 PRESSURE: 4033600 -84.8506 -39.1812 11.2436 -39.1806 -90.8236 36.5882 11.2438 36.5877 -366.198 GPRESSURE: 4033600 -47.6972 1.66541 50.5318 -88.1725 -33.7746 0.88628 54.099 34.0817 -350.666 PRESSAVG: 4033600 52.8307 -15.5903 20.5146 -15.5903 -8.96678 4.6639 20.5147 4.66374 -24.6993 GPRESSAVG: 4033600 52.6739 -15.0159 20.8061 -14.185 -9.0389 5.84704 20.7303 2.6661 -24.1629 TIMING: 4033600 CPU: 11681.6, 0.00288334/step Wall: 11681.6, 0.00288334/step, 0.774016 hours remaining, 211.695312 MB of memory in use. ENERGY: 4033600 750.1651 2074.3890 1949.9355 110.6160 -206288.1593 17693.0556 0.0000 0.0000 34330.4522 -149379.5458 299.8164 -183709.9980 -149284.7012 299.6927 -180.6241 -144.0458 557519.8633 6.3882 6.4907 PRESSURE: 4033800 171.166 -9.56496 -100.189 -9.56602 -8.71261 -68.9956 -100.19 -68.994 -215.103 GPRESSURE: 4033800 185.513 -70.3312 -28.5225 27.2792 8.36253 -46.5145 -164.69 -44.4184 -151.267 PRESSAVG: 4033800 29.39 -21.3625 36.0794 -21.3625 -95.741 -20.4366 36.0795 -20.4364 105.417 GPRESSAVG: 4033800 30.9494 -23.5626 36.1627 -20.4115 -95.9757 -21.1952 34.9424 -18.9025 103.719 TIMING: 4033800 CPU: 11682.2, 0.00288315/step Wall: 11682.2, 0.00288315/step, 0.773807 hours remaining, 211.695312 MB of memory in use. ENERGY: 4033800 797.5305 2051.4322 1937.3111 104.3417 -206583.4730 17929.3474 0.0000 0.0000 34290.0935 -149473.4165 299.4639 -183763.5100 -149383.0316 298.2691 -17.5497 14.2025 557350.3106 13.0218 12.8977 PRESSURE: 4034000 -101.403 -126.644 -153.188 -126.644 164.852 -107.945 -153.189 -107.946 -75.6206 GPRESSURE: 4034000 -78.149 -66.4841 -139.74 -79.0389 159.842 -89.3909 -144.211 -162.867 11.4036 PRESSAVG: 4034000 38.0942 -29.2732 -38.9483 -29.2731 -48.385 -6.25217 -38.9484 -6.25224 47.8122 GPRESSAVG: 4034000 37.4746 -28.9246 -40.3393 -28.2147 -47.9121 -5.2543 -36.2102 -8.37066 48.28 TIMING: 4034000 CPU: 11682.7, 0.00286871/step Wall: 11682.7, 0.00286871/step, 0.76977 hours remaining, 211.695312 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: 4034000 728.9856 2053.8023 1958.9342 130.4937 -206371.2493 17783.8357 0.0000 0.0000 34328.2194 -149386.9785 299.7969 -183715.1979 -149302.2539 298.3434 -4.0572 31.0322 556273.6488 12.5071 12.6142 PRESSURE: 4034200 -89.1795 -210.283 31.4285 -210.283 249.843 24.1233 31.4293 24.1245 67.9186 GPRESSURE: 4034200 0.26872 -197.94 -31.3701 -171.328 244.5 27.0674 3.955 78.3262 86.149 PRESSAVG: 4034200 -2.88819 15.8244 5.48202 15.8245 -30.882 15.1204 5.48207 15.1202 2.0621 GPRESSAVG: 4034200 -4.13619 17.1345 7.43297 12.7402 -29.8919 12.2251 2.05696 17.4836 1.84303 TIMING: 4034200 CPU: 11683.3, 0.00288535/step Wall: 11683.3, 0.00288535/step, 0.774075 hours remaining, 211.695312 MB of memory in use. ENERGY: 4034200 764.6338 2089.6518 1937.4418 118.5595 -206540.6919 18064.1230 0.0000 0.0000 34222.0753 -149344.2068 298.8699 -183566.2821 -149252.1468 299.1008 76.1942 110.3060 557763.8333 -10.5694 -10.7284 PRESSURE: 4034400 131.104 -20.3554 31.8515 -20.3557 -26.2983 -26.716 31.8516 -26.7159 24.3984 GPRESSURE: 4034400 157.436 0.642788 -49.6368 -43.796 30.2211 52.1009 57.8712 -81.8996 38.0672 PRESSAVG: 4034400 -29.3604 9.2991 6.58993 9.29909 -3.30147 33.9995 6.59004 33.9995 9.81334 GPRESSAVG: 4034400 -28.4596 9.4906 4.73027 10.2183 -5.86831 34.209 9.39425 34.1682 10.983 TIMING: 4034400 CPU: 11683.9, 0.00286859/step Wall: 11683.9, 0.00286859/step, 0.769419 hours remaining, 211.695312 MB of memory in use. ENERGY: 4034400 728.8352 2113.7128 1961.2553 101.6157 -206134.6575 17659.4710 0.0000 0.0000 34137.2369 -149432.5305 298.1290 -183569.7674 -149332.5868 299.0891 43.0681 75.2414 556128.7086 -7.6162 -7.7816 PRESSURE: 4034600 -372.986 -137.145 112.79 -137.146 -149.431 -101.055 112.79 -101.055 155.142 GPRESSURE: 4034600 -254.379 0.970593 60.989 -160.28 -201.878 -141.751 118.043 -127.261 181.98 PRESSAVG: 4034600 -5.77779 4.1644 22.4996 4.16424 -54.6588 -46.2073 22.4997 -46.2073 38.2358 GPRESSAVG: 4034600 -5.16901 2.87691 22.4254 3.94377 -53.5002 -46.6281 21.3067 -45.5998 36.4864 TIMING: 4034600 CPU: 11684.5, 0.00289275/step Wall: 11684.5, 0.00289275/step, 0.77574 hours remaining, 211.695312 MB of memory in use. ENERGY: 4034600 751.3604 2078.2827 1970.0787 126.7357 -206236.7935 17651.9449 0.0000 0.0000 34336.8244 -149321.5667 299.8720 -183658.3911 -149224.0734 299.2053 -122.4248 -91.4259 556674.9240 -7.4003 -7.3942 PRESSURE: 4034800 105.84 -182.972 -7.75114 -182.972 120.68 -121.212 -7.75135 -121.211 142.742 GPRESSURE: 4034800 149.999 -170.912 19.0837 -120.215 128.565 -91.9614 -78.9349 -89.3852 179.788 PRESSAVG: 4034800 -95.2214 -46.0023 -28.6822 -46.0024 50.7768 0.39597 -28.6822 0.396059 67.0693 GPRESSAVG: 4034800 -96.4389 -44.6655 -27.988 -44.7554 50.0546 1.09107 -27.1373 0.792148 68.2405 TIMING: 4034800 CPU: 11685, 0.00287114/step Wall: 11685, 0.00287114/step, 0.769784 hours remaining, 211.695312 MB of memory in use. ENERGY: 4034800 704.6436 2077.3061 1958.0306 104.3220 -206383.2162 17994.9857 0.0000 0.0000 34203.5804 -149340.3477 298.7084 -183543.9281 -149246.3865 299.0164 123.0870 152.7841 557018.9882 7.5416 7.2854 PRESSURE: 4035000 -97.8639 71.7265 -34.3587 71.7268 -313.545 170.22 -34.3592 170.219 -232.271 GPRESSURE: 4035000 -51.283 126.624 -40.594 0.233082 -317.235 139.896 -2.42815 145.476 -175.118 PRESSAVG: 4035000 -36.6088 -43.5549 -8.71072 -43.5548 11.1359 -11.5673 -8.71072 -11.5673 28.8288 GPRESSAVG: 4035000 -36.7775 -43.1914 -8.78138 -45.1164 11.0275 -11.0408 -10.2195 -11.8215 29.2121 TIMING: 4035000 CPU: 11685.6, 0.00287231/step Wall: 11685.6, 0.00287231/step, 0.769938 hours remaining, 211.695312 MB of memory in use. ENERGY: 4035000 719.0948 2085.7737 1937.9585 92.4068 -206022.7467 17482.2876 0.0000 0.0000 34348.5544 -149356.6708 299.9745 -183705.2253 -149253.2663 299.3986 -214.5602 -181.2121 557395.1304 1.1186 1.1540 PRESSURE: 4035200 86.4333 17.7845 39.4873 17.7845 -73.6222 -62.4722 39.4861 -62.4725 120.771 GPRESSURE: 4035200 131.573 -42.9276 162.439 -67.0907 -27.8687 -29.5127 25.8791 -118.271 137.348 PRESSAVG: 4035200 -4.45816 -5.75111 -24.175 -5.75114 -53.5022 -8.58968 -24.175 -8.58964 45.1951 GPRESSAVG: 4035200 -3.95225 -7.34781 -25.0967 -5.08923 -52.216 -8.46599 -22.7251 -11.3327 44.2665 TIMING: 4035200 CPU: 11686.2, 0.0028864/step Wall: 11686.2, 0.0028864/step, 0.773555 hours remaining, 211.695312 MB of memory in use. ENERGY: 4035200 763.2869 2056.9754 1931.0643 115.0067 -206435.7068 17933.9476 0.0000 0.0000 34381.2734 -149254.1525 300.2602 -183635.4259 -149153.7824 299.6334 44.5274 80.3507 558508.8720 -4.2551 -3.9672 PRESSURE: 4035400 182.431 144.838 -136.715 144.839 166.387 -62.7606 -136.715 -62.7618 437.116 GPRESSURE: 4035400 220.165 193.826 -151.654 184.792 200.181 -29.5072 -57.2045 -40.9492 454.914 PRESSAVG: 4035400 2.23321 -0.531065 2.23095 -0.531089 -67.4944 -35.3074 2.23096 -35.3074 43.8809 GPRESSAVG: 4035400 1.80523 0.0950314 2.55425 0.659007 -67.5878 -37.7129 3.43413 -32.0493 44.4276 TIMING: 4035400 CPU: 11686.8, 0.00286324/step Wall: 11686.8, 0.00286324/step, 0.767188 hours remaining, 211.695312 MB of memory in use. ENERGY: 4035400 748.1464 2076.5775 1935.3619 115.6434 -206779.7046 18233.7482 0.0000 0.0000 34359.8731 -149310.3542 300.0733 -183670.2273 -149216.0623 299.5492 261.9778 291.7534 557538.0970 -7.1268 -7.1183 PRESSURE: 4035600 239.933 -78.0991 -115.669 -78.0989 -92.2743 -40.699 -115.668 -40.6976 -2.33645 GPRESSURE: 4035600 295.465 50.5583 -129.048 -135.821 -43.3557 -34.781 -180.067 -18.261 -2.84855 PRESSAVG: 4035600 104.918 -36.4556 -28.4605 -36.4556 -12.6862 -0.581245 -28.4604 -0.581291 -42.029 GPRESSAVG: 4035600 104.274 -37.4241 -29.3663 -35.4139 -12.1067 1.72209 -29.053 -2.13213 -42.3251 TIMING: 4035600 CPU: 11687.3, 0.00286347/step Wall: 11687.3, 0.00286347/step, 0.76709 hours remaining, 211.695312 MB of memory in use. ENERGY: 4035600 736.5749 2068.5106 1945.5138 111.9461 -206393.8157 17882.6857 0.0000 0.0000 34448.7439 -149199.8407 300.8494 -183648.5846 -149109.6102 299.9007 48.4408 83.0870 557507.8962 16.7342 16.6141 PRESSURE: 4035800 103.639 117.462 31.9115 117.463 32.09 5.81798 31.9118 5.81894 -58.929 GPRESSURE: 4035800 146.541 108.89 72.1502 122.753 5.81458 50.8393 123.373 29.2224 18.8321 PRESSAVG: 4035800 18.4572 5.34304 -35.8753 5.34309 -18.0273 -36.3214 -35.8753 -36.3214 -27.3563 GPRESSAVG: 4035800 19.8663 4.82028 -30.6178 2.12445 -18.1292 -37.6979 -36.9923 -34.9453 -28.6061 TIMING: 4035800 CPU: 11687.9, 0.00286835/step Wall: 11687.9, 0.00286835/step, 0.768239 hours remaining, 211.695312 MB of memory in use. ENERGY: 4035800 766.1180 2103.5322 1952.5792 109.8657 -206457.3425 17858.1591 0.0000 0.0000 34431.5468 -149235.5415 300.6993 -183667.0883 -149134.9341 299.4743 25.5999 57.0626 557895.6820 -8.9755 -8.9563 PRESSURE: 4036000 17.1704 -58.0779 -25.0872 -58.077 160.499 37.4521 -25.089 37.451 308.057 GPRESSURE: 4036000 12.1048 -43.76 -29.9036 -53.9804 229.791 49.7932 -40.8876 -4.91749 342.767 PRESSAVG: 4036000 -35.5332 4.3321 -51.9033 4.33207 -37.3987 4.79832 -51.9033 4.79833 12.0012 GPRESSAVG: 4036000 -36.5424 6.56756 -55.513 5.67196 -36.6113 6.33939 -51.671 2.71166 12.3021 TIMING: 4036000 CPU: 11688.5, 0.00287274/step Wall: 11688.5, 0.00287274/step, 0.769257 hours remaining, 211.695312 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: 4036000 726.4572 2123.1998 1940.1212 103.4662 -206680.2967 18075.5826 0.0000 0.0000 34422.8581 -149288.6116 300.6234 -183711.4697 -149195.4617 299.7102 161.9088 194.8879 557013.8832 -20.3102 -20.2839 PRESSURE: 4036200 191.756 -22.7732 20.4148 -22.7724 -50.2438 -88.1151 20.4152 -88.114 10.4401 GPRESSURE: 4036200 214.605 -78.0393 31.288 -22.1362 -37.4233 -26.7209 41.9422 -131.356 69.2966 PRESSAVG: 4036200 5.39644 1.93363 -25.8825 1.93352 3.43472 -12.005 -25.8824 -12.005 -9.56853 GPRESSAVG: 4036200 5.78912 0.209015 -25.1144 3.61234 2.12232 -12.9069 -25.6311 -10.2491 -8.05048 TIMING: 4036200 CPU: 11689.1, 0.00286878/step Wall: 11689.1, 0.00286878/step, 0.768036 hours remaining, 211.695312 MB of memory in use. ENERGY: 4036200 718.5776 2168.4728 1939.8356 119.8948 -206700.8477 18079.1509 0.0000 0.0000 34382.4570 -149292.4590 300.2705 -183674.9160 -149196.5253 299.4002 50.6509 82.1596 556925.5880 -0.2458 -0.0463 LDB: ============= START OF LOAD BALANCING ============== 11692.4 LDB: ============== END OF LOAD BALANCING =============== 11692.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11692.4 LDB: ============= START OF LOAD BALANCING ============== 11692.7 LDB: Largest compute 4773 load 0.023692 is 20.1% of average load 0.117970 LDB: Average compute 0.001722 is 1.5% of average load 0.117970 LDB: TIME 11692.7 LOAD: AVG 0.11797 MAX 0.178203 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.41 MB LDB: TIME 11692.7 LOAD: AVG 0.11797 MAX 0.178203 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.41 MB LDB: TIME 11692.7 LOAD: AVG 0.11797 MAX 0.178203 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.41 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11692.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11692.7 PRESSURE: 4036400 73.7568 55.8145 -111.109 55.8151 -106.777 -159.896 -111.109 -159.897 -110.256 GPRESSURE: 4036400 94.7735 84.2814 -132.038 74.7982 -68.3792 -144.468 -93.5767 -171.745 -68.7861 PRESSAVG: 4036400 45.536 5.27863 -19.7566 5.27857 9.46727 -48.5998 -19.7566 -48.5997 1.81315 GPRESSAVG: 4036400 45.9024 5.52519 -19.3693 6.02118 9.37405 -47.7748 -20.5513 -48.6154 1.37122 TIMING: 4036400 CPU: 11689.6, 0.00293975/step Wall: 11689.6, 0.00293975/step, 0.786873 hours remaining, 211.824219 MB of memory in use. ENERGY: 4036400 770.6937 2104.2676 1959.9393 112.3868 -206125.8796 17739.0352 0.0000 0.0000 34310.3184 -149129.2388 299.6405 -183439.5572 -149033.0284 299.3049 -47.7591 -14.1306 557529.0919 18.9388 18.8825 PRESSURE: 4036600 70.9454 140.123 72.4143 140.123 251.913 -60.7316 72.4136 -60.7321 -253.813 GPRESSURE: 4036600 56.4554 101.087 86.1207 153.154 268.61 -146.082 48.0735 10.505 -159.832 PRESSAVG: 4036600 34.0148 15.267 -32.5015 15.267 -30.5952 -51.2423 -32.5015 -51.2422 8.43882 GPRESSAVG: 4036600 32.312 16.8443 -33.8511 12.9091 -29.3082 -53.9585 -33.3818 -50.5646 8.61028 TIMING: 4036600 CPU: 11690.2, 0.00287318/step Wall: 11690.2, 0.00287318/step, 0.768895 hours remaining, 211.824219 MB of memory in use. ENERGY: 4036600 747.1701 2102.2715 1933.1586 105.0462 -205954.0638 17744.9681 0.0000 0.0000 34260.1603 -149061.2890 299.2025 -183321.4493 -148962.5360 299.7384 23.0150 55.0776 556384.1796 3.9528 3.8714 PRESSURE: 4036800 -120.52 -59.1575 -39.7075 -59.1575 -174.563 62.1087 -39.7082 62.1085 -85.6191 GPRESSURE: 4036800 -148.88 -27.5491 -14.2851 -88.3794 -126.389 67.3225 9.23379 114.703 -18.7452 PRESSAVG: 4036800 21.7675 -3.29459 -20.8083 -3.29453 -34.9453 -43.0692 -20.8083 -43.0692 -34.7218 GPRESSAVG: 4036800 21.6676 -5.47857 -19.854 -0.283726 -35.0144 -42.2927 -19.7174 -43.0275 -34.7743 TIMING: 4036800 CPU: 11690.8, 0.00287354/step Wall: 11690.8, 0.00287354/step, 0.76883 hours remaining, 211.824219 MB of memory in use. ENERGY: 4036800 733.0005 2093.4271 1960.3448 127.7249 -205660.4734 17494.7783 0.0000 0.0000 34127.3187 -149123.8792 298.0424 -183251.1979 -149033.2109 299.4394 -126.9006 -98.0046 557139.3274 -15.9665 -16.0404 PRESSURE: 4037000 100.607 -78.2189 -55.0327 -78.2189 -144.288 -31.0006 -55.0342 -31.0008 -120.352 GPRESSURE: 4037000 154.355 -98.7466 -55.1379 -20.9048 -63.5778 -127.57 -78.629 55.4384 -140.516 PRESSAVG: 4037000 65.3493 -10.9137 12.314 -10.9137 -13.5285 -26.9626 12.314 -26.9626 -74.8935 GPRESSAVG: 4037000 65.5806 -10.7702 13.5415 -12.1613 -14.0242 -27.2793 13.103 -25.9689 -74.3971 TIMING: 4037000 CPU: 11691.4, 0.00286396/step Wall: 11691.4, 0.00286396/step, 0.76611 hours remaining, 211.824219 MB of memory in use. ENERGY: 4037000 767.4324 2047.6054 1939.4195 96.0870 -206067.7395 17833.8701 0.0000 0.0000 34285.0895 -149098.2357 299.4202 -183383.3252 -149003.9551 299.7579 -54.6779 -16.5795 557813.8512 -7.6909 -7.6136 PRESSURE: 4037200 -2.74018 -152.597 -48.0817 -152.598 174.513 7.46875 -48.0819 7.46971 104.167 GPRESSURE: 4037200 -15.1644 -98.9424 -108.897 -142.596 194.379 -113.728 -14.5432 43.204 182.527 PRESSAVG: 4037200 -1.70379 -57.864 -0.631866 -57.864 -30.837 17.4216 -0.631861 17.4215 28.26 GPRESSAVG: 4037200 -1.63042 -55.2235 -1.09566 -59.3111 -30.7577 20.8628 -1.54233 12.909 27.6593 TIMING: 4037200 CPU: 11691.9, 0.00287908/step Wall: 11691.9, 0.00287908/step, 0.769994 hours remaining, 211.824219 MB of memory in use. ENERGY: 4037200 747.2917 2133.0991 1964.6923 106.5288 -205944.2722 17780.5054 0.0000 0.0000 34384.8813 -148827.2736 300.2917 -183212.1550 -148732.9253 299.9128 91.9799 120.5806 556894.5134 -1.4269 -1.5763 PRESSURE: 4037400 51.6875 71.77 -79.8151 71.7695 -306.803 -16.5217 -79.8146 -16.5212 37.8602 GPRESSURE: 4037400 61.3551 -34.9961 -97.1588 81.0591 -265.809 110.185 -104.471 -140.411 95.1216 PRESSAVG: 4037400 55.0178 32.3071 -6.92255 32.3071 -8.65968 12.1508 -6.92258 12.1507 9.52408 GPRESSAVG: 4037400 54.8005 30.3193 -7.93705 31.764 -9.53571 10.1504 -4.66117 13.5976 10.8835 TIMING: 4037400 CPU: 11692.5, 0.00289166/step Wall: 11692.5, 0.00289166/step, 0.773198 hours remaining, 211.824219 MB of memory in use. ENERGY: 4037400 736.0212 2047.0602 1960.6458 105.9485 -205571.5487 17465.1451 0.0000 0.0000 34458.3016 -148798.4263 300.9329 -183256.7279 -148701.0557 301.0019 -72.4184 -36.4440 557102.4775 18.6274 18.7161 PRESSURE: 4037600 -68.5742 47.2781 -95.2486 47.2784 -198.535 -143.833 -95.2493 -143.832 130.176 GPRESSURE: 4037600 15.0179 6.06042 -33.2735 116.945 -167.021 -175.424 -151.247 -76.1678 119.879 PRESSAVG: 4037600 23.4228 26.0342 -56.4728 26.0343 -45.67 -13.1857 -56.4727 -13.1858 13.6183 GPRESSAVG: 4037600 24.4702 26.155 -56.8482 28.5124 -44.6774 -14.267 -58.1855 -13.727 11.7557 TIMING: 4037600 CPU: 11693.1, 0.00288002/step Wall: 11693.1, 0.00288002/step, 0.769926 hours remaining, 211.824219 MB of memory in use. ENERGY: 4037600 794.6891 2090.2845 1964.4727 114.8083 -206080.2173 17768.5410 0.0000 0.0000 34368.4945 -148978.9272 300.1486 -183347.4217 -148886.4335 300.3133 -45.6442 -10.7083 556605.3869 -2.8763 -2.8172 PRESSURE: 4037800 76.6861 -146.482 44.9966 -146.482 -85.7753 193.862 44.9956 193.863 -93.6821 GPRESSURE: 4037800 144.581 -192.649 24.4662 -135.281 -69.3853 227.93 72.4538 208.586 -90.9561 PRESSAVG: 4037800 21.8992 17.2205 -24.1474 17.2204 35.6562 2.60722 -24.1475 2.60724 -83.7942 GPRESSAVG: 4037800 22.2951 17.529 -22.1546 16.1694 35.5649 3.05584 -22.251 2.9496 -84.0297 TIMING: 4037800 CPU: 11693.7, 0.00287951/step Wall: 11693.7, 0.00287951/step, 0.769628 hours remaining, 211.824219 MB of memory in use. ENERGY: 4037800 717.2629 2123.1090 1941.3966 105.9118 -205885.1838 17736.4030 0.0000 0.0000 34327.1304 -148933.9701 299.7874 -183261.1005 -148842.3929 300.0411 -34.2571 -5.2535 557984.6776 -8.7463 -8.7232 PRESSURE: 4038000 132.159 28.7648 -51.5549 28.7651 -188.381 3.41409 -51.5552 3.41286 -101.04 GPRESSURE: 4038000 161.914 23.91 61.4966 -13.3412 -131.289 -9.58182 -74.5074 36.637 -94.9553 PRESSAVG: 4038000 -4.52575 -37.0907 19.3792 -37.0908 43.2868 -2.32548 19.3793 -2.32543 -16.8855 GPRESSAVG: 4038000 -4.81107 -39.2786 19.8241 -36.29 43.3583 -2.81352 17.5777 -1.45825 -16.6405 TIMING: 4038000 CPU: 11694.2, 0.00287578/step Wall: 11694.2, 0.00287578/step, 0.768472 hours remaining, 211.824219 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: 4038000 734.7587 2152.3217 1945.0763 129.0918 -206035.4954 17743.5881 0.0000 0.0000 34091.3937 -149239.2651 297.7286 -183330.6588 -149148.0247 299.7924 -52.4207 -21.4436 558341.8866 7.2919 7.3023 PRESSURE: 4038200 188.369 -105.011 -18.3031 -105.012 -153.991 14.5063 -18.303 14.5068 -43.2153 GPRESSURE: 4038200 252.991 -43.2032 -69.6363 -138.289 -139.528 110.326 79.2833 -1.5077 -21.331 PRESSAVG: 4038200 50.408 18.353 -12.3932 18.353 -51.7743 46.1785 -12.3932 46.1786 31.5886 GPRESSAVG: 4038200 50.8359 20.531 -14.738 17.8101 -51.8868 47.6121 -10.666 45.563 31.2735 TIMING: 4038200 CPU: 11694.8, 0.00287172/step Wall: 11694.8, 0.00287172/step, 0.767227 hours remaining, 211.824219 MB of memory in use. ENERGY: 4038200 750.7171 2077.8708 1927.0602 107.7278 -206084.4791 17745.1817 0.0000 0.0000 34267.5521 -149208.3695 299.2671 -183475.9216 -149109.0219 299.2589 -2.9457 30.7109 557736.1540 10.0741 10.0742 PRESSURE: 4038400 -199.465 -175.45 -29.9258 -175.449 -54.2256 0.937779 -29.9261 0.938956 -121.67 GPRESSURE: 4038400 -150.688 -171.824 16.3796 -122.92 -41.0281 39.3192 -48.1784 -101.191 -93.3833 PRESSAVG: 4038400 -8.58892 1.5748 71.8974 1.5749 -44.6847 -42.2978 71.8973 -42.2978 41.0995 GPRESSAVG: 4038400 -8.68039 2.30149 72.3869 -0.223709 -44.1333 -43.0496 68.8111 -42.7437 41.0301 TIMING: 4038400 CPU: 11695.4, 0.00285624/step Wall: 11695.4, 0.00285624/step, 0.762933 hours remaining, 211.824219 MB of memory in use. ENERGY: 4038400 776.8382 2105.5050 1931.5464 104.9162 -205973.9162 17633.1749 0.0000 0.0000 34254.7125 -149167.2230 299.1549 -183421.9355 -149078.2663 298.9512 -125.1203 -95.0332 557384.7087 -4.0580 -3.9279 PRESSURE: 4038600 31.2991 121.34 -29.0396 121.341 -166.765 -30.4998 -29.0392 -30.5011 128.729 GPRESSURE: 4038600 104.855 53.3714 24.8981 153.822 -134.815 18.5708 -91.205 -0.981915 112.37 PRESSAVG: 4038600 -15.9707 -12.7867 -12.2703 -12.7867 -26.6628 20.324 -12.2703 20.3241 60.6034 GPRESSAVG: 4038600 -16.1686 -15.9431 -10.1878 -11.236 -27.0852 21.0128 -11.19 20.0298 61.2198 TIMING: 4038600 CPU: 11696, 0.00285796/step Wall: 11696, 0.00285796/step, 0.763234 hours remaining, 211.824219 MB of memory in use. ENERGY: 4038600 687.2458 2068.7971 1951.0516 112.1069 -205770.8191 17530.6097 0.0000 0.0000 34341.3609 -149079.6470 299.9116 -183421.0080 -148986.0082 299.7448 -2.2454 27.4698 558965.2729 5.9900 5.9887 PRESSURE: 4038800 -321.289 99.7039 -59.7151 99.7054 -92.0714 200.206 -59.7153 200.208 172.115 GPRESSURE: 4038800 -194.874 88.5368 -88.1074 41.3032 -66.352 188.648 54.358 158.399 125.84 PRESSAVG: 4038800 49.6008 -45.2792 -40.6291 -45.2792 -39.4011 37.8638 -40.6292 37.8639 3.85619 GPRESSAVG: 4038800 49.939 -45.1569 -43.2909 -44.8862 -39.8962 37.1953 -38.366 39.7007 4.13456 TIMING: 4038800 CPU: 11696.5, 0.00285954/step Wall: 11696.5, 0.00285954/step, 0.763498 hours remaining, 211.824219 MB of memory in use. ENERGY: 4038800 714.4538 2101.4548 1946.4882 111.5833 -206033.9686 17807.9154 0.0000 0.0000 34202.3216 -149149.7515 298.6974 -183352.0732 -149045.1861 299.6470 -80.4152 -45.1289 558426.7710 4.6853 4.7258 PRESSURE: 4039000 187.055 -149.16 113.067 -149.16 93.0614 -57.8663 113.067 -57.8674 28.5193 GPRESSURE: 4039000 219.694 -246.138 144.147 -54.0898 116.656 -5.16398 129.84 -152.662 70.1394 PRESSAVG: 4039000 -40.6687 0.470416 35.3764 0.470489 -22.2981 1.91871 35.3763 1.91858 15.818 GPRESSAVG: 4039000 -40.2558 -0.0773972 36.2003 -0.414668 -21.6923 2.83171 35.5993 -0.938098 14.5861 TIMING: 4039000 CPU: 11697.1, 0.00287751/step Wall: 11697.1, 0.00287751/step, 0.768136 hours remaining, 211.824219 MB of memory in use. ENERGY: 4039000 748.4376 2015.5496 1931.2390 99.8225 -206093.5331 17928.7018 0.0000 0.0000 34105.2805 -149264.5021 297.8499 -183369.7826 -149171.3338 299.2338 102.8784 135.4961 557194.5800 -15.7162 -15.7873 PRESSURE: 4039200 59.6894 21.9849 30.7466 21.985 -135.873 107.322 30.7462 107.325 -76.1788 GPRESSURE: 4039200 151.896 72.8696 9.96597 -19.1071 -77.782 106.249 43.8325 109.933 -117.827 PRESSAVG: 4039200 -21.539 -17.5915 39.4264 -17.5915 24.334 18.6114 39.4264 18.6117 51.0582 GPRESSAVG: 4039200 -21.0793 -14.5587 39.8018 -19.326 24.2134 15.7879 38.2437 21.0239 50.9763 TIMING: 4039200 CPU: 11697.7, 0.0029119/step Wall: 11697.7, 0.0029119/step, 0.777155 hours remaining, 211.824219 MB of memory in use. ENERGY: 4039200 728.2941 2028.7044 1971.7030 97.9363 -206109.0959 17648.2122 0.0000 0.0000 34413.0665 -149221.1792 300.5379 -183634.2457 -149123.2417 299.3359 -50.7874 -14.5709 556566.5898 17.9511 18.0368 PRESSURE: 4039400 -128.543 24.8516 81.9224 24.852 -218.281 -6.12079 81.9216 -6.11909 -197.172 GPRESSURE: 4039400 -134.975 -25.2875 75.384 111.824 -153.166 5.30055 113.947 17.5881 -156.76 PRESSAVG: 4039400 -27.6963 -37.8871 -16.967 -37.8871 0.0307067 31.5588 -16.9671 31.5587 -8.82928 GPRESSAVG: 4039400 -28.6246 -39.637 -18.5743 -37.0705 0.585519 33.9972 -16.6042 31.0004 -8.51216 TIMING: 4039400 CPU: 11698.3, 0.00287831/step Wall: 11698.3, 0.00287831/step, 0.76803 hours remaining, 211.824219 MB of memory in use. ENERGY: 4039400 767.8145 2059.5000 1960.4914 120.4144 -205757.1271 17517.1923 0.0000 0.0000 34110.2338 -149221.4807 297.8932 -183331.7145 -149128.4962 298.8731 -181.3321 -148.3002 557912.3456 -12.1650 -12.1838 PRESSURE: 4039600 -16.8239 0.970296 26.829 0.969053 70.5045 -69.818 26.8289 -69.8182 32.2243 GPRESSURE: 4039600 6.06419 -83.1245 -13.6622 53.8818 120.359 -29.6566 65.9449 -168.163 57.0576 PRESSAVG: 4039600 2.93521 -80.3802 -17.7705 -80.3803 -46.2636 -0.388265 -17.7705 -0.388371 46.9656 GPRESSAVG: 4039600 3.12041 -81.5853 -14.7742 -78.7455 -47.0749 0.305032 -19.451 0.235927 46.9424 TIMING: 4039600 CPU: 11698.8, 0.002874/step Wall: 11698.8, 0.002874/step, 0.76672 hours remaining, 211.824219 MB of memory in use. ENERGY: 4039600 737.7013 2069.5305 1966.9001 112.1486 -205883.2621 17619.5337 0.0000 0.0000 34363.8788 -149013.5691 300.1083 -183377.4479 -148920.1723 299.3594 28.6350 61.1604 556641.4377 1.2124 0.9960 PRESSURE: 4039800 -52.6214 -85.4186 -39.3745 -85.4176 318.673 80.3483 -39.3752 80.3493 -43.9956 GPRESSURE: 4039800 9.29458 -165.304 -9.05111 -37.9502 320.741 62.6686 -85.7697 79.9832 -15.0614 PRESSAVG: 4039800 25.6929 -33.2268 -14.1337 -33.2267 -36.2408 14.1172 -14.1337 14.1171 13.9013 GPRESSAVG: 4039800 26.6846 -32.4964 -14.9105 -36.6391 -36.2325 12.8794 -13.9754 13.2106 13.4282 TIMING: 4039800 CPU: 11699.4, 0.00288662/step Wall: 11699.4, 0.00288662/step, 0.769926 hours remaining, 211.824219 MB of memory in use. ENERGY: 4039800 702.6126 2073.8759 1962.6500 108.7457 -205812.3932 17735.2256 0.0000 0.0000 34217.9972 -149011.2863 298.8343 -183229.2834 -148908.3943 299.9055 74.0187 104.9914 556586.7615 1.1178 1.2934 PRESSURE: 4040000 -334.796 11.1296 58.1002 11.1287 -318.66 108.772 58.1 108.773 114.138 GPRESSURE: 4040000 -290.352 43.5199 37.3203 -41.4343 -282.583 82.6532 40.5251 111.193 122.495 PRESSAVG: 4040000 29.6424 9.08551 -58.3806 9.0855 -36.1824 2.80553 -58.3807 2.80554 14.4581 GPRESSAVG: 4040000 29.7619 9.07478 -59.381 10.2891 -35.9305 3.28092 -57.3445 3.03212 14.3223 TIMING: 4040000 CPU: 11700, 0.00288329/step Wall: 11700, 0.00288329/step, 0.768877 hours remaining, 211.824219 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: 4040000 775.4394 2095.2519 1918.7973 110.2912 -205766.9822 17482.6463 0.0000 0.0000 34553.6438 -148830.9122 301.7656 -183384.5560 -148737.5894 300.0690 -179.7725 -150.1466 556148.8081 2.6394 2.7179 PRESSURE: 4040200 -65.2591 27.9339 60.1537 27.9331 -34.8823 119.797 60.1532 119.797 -9.95721 GPRESSURE: 4040200 -30.0671 -6.28404 -55.6116 42.314 18.5903 132.54 25.3037 123.682 20.2329 PRESSAVG: 4040200 -62.2664 -7.22598 -5.46316 -7.22588 19.9167 -23.6511 -5.46311 -23.651 61.5353 GPRESSAVG: 4040200 -62.8993 -5.76486 -6.32404 -6.16345 20.3805 -24.0581 -5.4413 -24.485 62.3255 TIMING: 4040200 CPU: 11700.6, 0.00289479/step Wall: 11700.6, 0.00289479/step, 0.771783 hours remaining, 211.824219 MB of memory in use. ENERGY: 4040200 724.7104 2068.2608 1954.5382 110.8548 -205505.0258 17609.4654 0.0000 0.0000 34344.4153 -148692.7808 299.9383 -183037.1962 -148592.6026 300.6564 -36.6995 2.9187 557689.9010 6.3952 6.6022 LDB: ============= START OF LOAD BALANCING ============== 11704 LDB: ============== END OF LOAD BALANCING =============== 11704 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11704 LDB: ============= START OF LOAD BALANCING ============== 11704.3 LDB: Largest compute 4773 load 0.023979 is 20.3% of average load 0.118022 LDB: Average compute 0.001720 is 1.5% of average load 0.118022 LDB: TIME 11704.3 LOAD: AVG 0.118022 MAX 0.177734 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.203 MB LDB: TIME 11704.3 LOAD: AVG 0.118022 MAX 0.177734 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.406 MB LDB: TIME 11704.3 LOAD: AVG 0.118022 MAX 0.177734 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.406 MB LDB: ============== END OF LOAD BALANCING =============== 11704.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11704.3 PRESSURE: 4040400 -215.927 -37.5436 -51.504 -37.545 -236.173 205.493 -51.5039 205.495 -151.982 GPRESSURE: 4040400 -204.829 -25.0718 -78.1334 1.56312 -199.214 197.591 -59.8161 226.418 -94.1224 PRESSAVG: 4040400 20.2329 21.521 -36.7069 21.521 47.296 -24.8259 -36.707 -24.8259 -71.1698 GPRESSAVG: 4040400 20.5575 20.4194 -33.5773 21.0788 46.7229 -25.7753 -38.9651 -22.6407 -70.751 TIMING: 4040400 CPU: 11701.2, 0.00293106/step Wall: 11701.2, 0.00293106/step, 0.78129 hours remaining, 209.839844 MB of memory in use. ENERGY: 4040400 768.7067 2111.9648 1952.3414 109.3708 -205488.4129 17520.6378 0.0000 0.0000 34307.8457 -148717.5457 299.6189 -183025.3915 -148615.9044 300.6281 -201.3605 -166.0551 559344.7005 -1.2137 -1.1569 PRESSURE: 4040600 98.9291 29.5755 154.35 29.5758 -86.9245 72.1226 154.35 72.122 -96.6232 GPRESSURE: 4040600 61.8493 4.52713 135.694 41.3928 -35.6117 142.759 84.7748 -3.52936 -6.37701 PRESSAVG: 4040600 8.10376 -2.20116 -15.7806 -2.20123 40.2068 54.3002 -15.7807 54.3002 8.76125 GPRESSAVG: 4040600 8.32507 -0.589253 -16.3736 -2.92958 40.0602 55.5924 -15.5224 50.1856 8.16864 TIMING: 4040600 CPU: 11701.7, 0.00289819/step Wall: 11701.7, 0.00289819/step, 0.772366 hours remaining, 209.839844 MB of memory in use. ENERGY: 4040600 736.1370 2124.4767 1972.2910 116.5738 -205634.4559 17661.5734 0.0000 0.0000 34178.2284 -148845.1756 298.4870 -183023.4040 -148746.5952 300.0887 -28.2062 6.6202 557941.3748 19.0239 18.8513 PRESSURE: 4040800 -194.614 20.1185 -74.1126 20.1194 -382.259 -227.418 -74.113 -227.418 -76.8314 GPRESSURE: 4040800 -185.19 -2.05459 -63.6952 69.0947 -332.519 -241.833 -57.8104 -303.537 -22.7725 PRESSAVG: 4040800 -15.5904 -11.8162 27.091 -11.8163 -46.4841 -28.0055 27.091 -28.0055 38.4761 GPRESSAVG: 4040800 -15.6305 -12.2448 26.0989 -12.1414 -47.9005 -29.1833 27.1604 -26.7693 39.8664 TIMING: 4040800 CPU: 11702.3, 0.00288675/step Wall: 11702.3, 0.00288675/step, 0.769159 hours remaining, 209.839844 MB of memory in use. ENERGY: 4040800 808.0325 2055.7844 1946.0724 125.5346 -205997.8427 17532.8260 0.0000 0.0000 34508.2983 -149021.2946 301.3696 -183529.5929 -148932.9703 299.9771 -217.9015 -180.1606 556954.7047 -7.8661 -7.8882 PRESSURE: 4041000 100.091 219.995 4.47121 219.993 63.6216 36.2464 4.47087 36.2451 311.797 GPRESSURE: 4041000 164.796 249.88 -19.2254 283.41 58.5348 -23.6891 90.5383 51.2443 346.603 PRESSAVG: 4041000 -29.194 37.3534 21.6532 37.3535 -26.137 -15.7653 21.6531 -15.7652 97.1978 GPRESSAVG: 4041000 -29.8909 38.1143 23.4664 35.2748 -24.7819 -13.355 22.0966 -16.9515 96.4395 TIMING: 4041000 CPU: 11702.9, 0.00290591/step Wall: 11702.9, 0.00290591/step, 0.774102 hours remaining, 209.839844 MB of memory in use. ENERGY: 4041000 780.0804 2089.4242 1963.0863 109.6958 -206469.9220 18066.6024 0.0000 0.0000 34489.9674 -148971.0656 301.2095 -183461.0330 -148872.9391 300.2389 158.5031 189.9780 555265.4389 13.9556 13.9222 PRESSURE: 4041200 -70.7211 29.2908 92.6267 29.2895 -114.595 -175.546 92.6279 -175.549 -249.867 GPRESSURE: 4041200 -69.691 80.3222 81.9758 84.936 -99.4641 -165.799 73.6982 -190.026 -177.073 PRESSAVG: 4041200 -27.7495 40.4459 -31.4738 40.4459 26.6753 -48.3616 -31.4737 -48.3616 3.84031 GPRESSAVG: 4041200 -27.2093 40.6264 -32.641 42.251 26.2285 -49.7788 -30.9086 -47.3851 3.6776 TIMING: 4041200 CPU: 11703.5, 0.00289512/step Wall: 11703.5, 0.00289512/step, 0.771067 hours remaining, 209.839844 MB of memory in use. ENERGY: 4041200 779.6724 2117.8535 1958.9510 110.4968 -206141.9444 17665.6104 0.0000 0.0000 34431.7445 -149077.6159 300.7010 -183509.3604 -148980.4558 299.8102 -145.0611 -115.4092 557172.4384 0.9221 0.8989 PRESSURE: 4041400 -173.641 -21.1991 32.76 -21.1979 -127.681 -74.0695 32.7608 -74.0711 14.5558 GPRESSURE: 4041400 -79.4633 48.1496 -79.4061 -113.474 -126.449 -33.1214 76.0863 -51.3628 25.3157 PRESSAVG: 4041400 -87.2972 11.7189 -37.0754 11.7189 40.2677 -48.0312 -37.0753 -48.0313 40.6834 GPRESSAVG: 4041400 -87.284 11.5516 -38.6442 13.0343 40.4371 -46.4417 -35.2828 -48.4025 40.6463 TIMING: 4041400 CPU: 11704.1, 0.00289395/step Wall: 11704.1, 0.00289395/step, 0.770594 hours remaining, 209.839844 MB of memory in use. ENERGY: 4041400 718.7208 2139.6150 1926.6700 125.0543 -206350.1297 17833.2338 0.0000 0.0000 34542.0446 -149064.7911 301.6643 -183606.8357 -148967.6249 300.2085 -95.5885 -60.1987 558454.8295 -2.1154 -2.0669 PRESSURE: 4041600 55.6326 124.647 14.504 124.648 -159.89 120.421 14.5046 120.421 -397.292 GPRESSURE: 4041600 49.7238 187.934 52.4197 99.7968 -106.878 25.78 -45.0914 121.022 -343.695 PRESSAVG: 4041600 -42.9358 1.12441 11.4583 1.12441 41.599 13.5011 11.4582 13.501 13.6125 GPRESSAVG: 4041600 -43.9449 -1.51504 13.2166 1.91986 42.1977 11.6484 10.7904 13.0962 13.9783 TIMING: 4041600 CPU: 11704.6, 0.00290348/step Wall: 11704.6, 0.00290348/step, 0.772971 hours remaining, 209.839844 MB of memory in use. ENERGY: 4041600 749.7161 2111.1094 1971.3511 110.9279 -205850.7622 17600.2520 0.0000 0.0000 34203.3813 -149104.0245 298.7066 -183307.4058 -149001.6691 300.1302 -167.1832 -133.6165 558466.6038 4.0919 4.0770 PRESSURE: 4041800 50.0053 -150 -99.9648 -150 -43.2249 -57.8806 -99.9633 -57.8805 -123.062 GPRESSURE: 4041800 122.733 -182.633 -106.507 -112.848 -0.657972 -54.8658 -16.6386 -53.6191 -120.167 PRESSAVG: 4041800 54.5015 -17.5271 61.8194 -17.527 -15.9152 -8.87607 61.8193 -8.87603 -22.1026 GPRESSAVG: 4041800 54.6886 -15.2257 61.2469 -21.2494 -15.5671 -9.74735 61.8704 -7.1857 -22.2669 TIMING: 4041800 CPU: 11705.2, 0.0028954/step Wall: 11705.2, 0.0028954/step, 0.770658 hours remaining, 209.839844 MB of memory in use. ENERGY: 4041800 746.2995 2091.9619 1978.8115 108.3711 -206116.3277 17628.2592 0.0000 0.0000 34466.8891 -149095.7355 301.0079 -183562.6246 -148994.1362 299.7957 -38.7605 0.6362 557443.1207 5.4945 5.6182 PRESSURE: 4042000 -339.302 65.6214 -20.424 65.6222 -23.0145 11.5707 -20.424 11.5711 -496.581 GPRESSURE: 4042000 -285.237 71.6384 -14.8237 126.416 -7.96294 -15.3215 -8.59187 28.5936 -468.986 PRESSAVG: 4042000 -16.0493 -13.8228 43.2141 -13.8227 0.594939 5.51499 43.2141 5.51489 28.4131 GPRESSAVG: 4042000 -15.8597 -13.2969 45.0563 -11.521 -1.09122 6.43231 42.4073 4.45073 29.1342 TIMING: 4042000 CPU: 11705.8, 0.00286822/step Wall: 11705.8, 0.00286822/step, 0.763264 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4042000 757.9633 2106.1417 1970.0426 116.3480 -206150.3505 17482.3351 0.0000 0.0000 34552.4978 -149165.0220 301.7556 -183717.5198 -149054.8559 299.9824 -286.2992 -254.0621 559820.5224 4.3196 4.0611 PRESSURE: 4042200 -46.1174 -27.3157 131.974 -27.3157 -19.4127 -150.17 131.972 -150.171 -80.3955 GPRESSURE: 4042200 -51.6754 -65.3035 92.0386 -6.94286 -17.5642 -197.774 193.691 -183.831 15.8562 PRESSAVG: 4042200 -68.6301 55.7951 20.5098 55.7951 36.7591 33.7087 20.5098 33.7087 29.0468 GPRESSAVG: 4042200 -69.7662 53.7277 16.1997 56.7733 37.4952 34.6986 21.1269 33.2277 29.1526 TIMING: 4042200 CPU: 11706.4, 0.00287911/step Wall: 11706.4, 0.00287911/step, 0.766004 hours remaining, 209.839844 MB of memory in use. ENERGY: 4042200 719.6179 2079.9585 1955.7163 125.5325 -206227.0158 17761.2334 0.0000 0.0000 34134.8160 -149450.1410 298.1078 -183584.9570 -149349.5125 299.0863 -48.6419 -17.7945 559305.7311 -0.9414 -1.0395 PRESSURE: 4042400 -157.324 -43.5065 18.2681 -43.507 -291.303 72.1493 18.2677 72.1501 -30.7081 GPRESSURE: 4042400 -156.308 -51.9294 64.9038 -108.513 -246.232 95.4756 -75.8864 -21.6706 22.9985 PRESSAVG: 4042400 -10.9203 -15.9485 44.9485 -15.9485 -25.5034 4.19589 44.9486 4.19588 30.0324 GPRESSAVG: 4042400 -10.238 -14.8202 48.1284 -17.8358 -25.673 2.65199 43.3749 6.25375 29.2674 TIMING: 4042400 CPU: 11706.9, 0.00287383/step Wall: 11706.9, 0.00287383/step, 0.764438 hours remaining, 209.839844 MB of memory in use. ENERGY: 4042400 764.6467 2166.8728 1969.8870 118.3793 -206399.4704 17745.3515 0.0000 0.0000 34137.7443 -149496.5889 298.1334 -183634.3332 -149406.4381 297.9600 -159.7784 -126.5137 558658.5870 -2.1305 -2.2145 PRESSURE: 4042600 105.693 -42.6446 34.6878 -42.6444 -175.694 25.0696 34.6877 25.0694 -43.6214 GPRESSURE: 4042600 114.304 -69.5749 72.8186 -3.6342 -123.527 95.6529 15.6042 -42.7548 -11.4238 PRESSAVG: 4042600 -56.075 3.94087 7.65682 3.94084 -59.1751 42.7039 7.65694 42.7041 107.054 GPRESSAVG: 4042600 -55.5807 3.73049 8.73343 6.26365 -58.8688 42.2563 6.37086 42.4642 106.293 TIMING: 4042600 CPU: 11707.5, 0.00289003/step Wall: 11707.5, 0.00289004/step, 0.768589 hours remaining, 209.839844 MB of memory in use. ENERGY: 4042600 724.4448 2141.4280 1932.3555 121.6806 -206122.3603 17651.3013 0.0000 0.0000 34035.2576 -149515.8926 297.2384 -183551.1502 -149419.6454 298.0403 -37.8741 -6.8824 557553.6083 -2.7322 -2.7190 PRESSURE: 4042800 211.149 -110.61 62.3297 -110.611 -18.8958 8.07336 62.3296 8.07288 113.663 GPRESSURE: 4042800 224.482 -159.975 101.187 -51.8872 38.6121 -75.928 -16.9205 -40.8802 138.049 PRESSAVG: 4042800 -25.0992 -28.673 36.3933 -28.673 -25.7653 -22.6171 36.3933 -22.6171 93.6873 GPRESSAVG: 4042800 -26.9929 -27.8172 35.8252 -31.5397 -24.9665 -21.5639 36.8597 -24.8129 94.4442 TIMING: 4042800 CPU: 11708.1, 0.00287074/step Wall: 11708.1, 0.00287074/step, 0.763298 hours remaining, 209.839844 MB of memory in use. ENERGY: 4042800 729.4901 2087.4647 1974.0561 118.9013 -206556.1501 17824.6277 0.0000 0.0000 34207.1018 -149614.5085 298.7391 -183821.6104 -149524.6056 298.2381 101.9721 133.7143 555308.4290 14.2743 14.1616 PRESSURE: 4043000 -133.898 2.5995 68.0623 2.6004 -178.768 106.947 68.0635 106.947 20.76 GPRESSURE: 4043000 -71.2108 -62.2362 81.8041 65.7592 -120.074 74.2995 51.8187 119.072 -8.14195 PRESSAVG: 4043000 1.46539 -4.61499 30.8366 -4.61495 -18.5564 66.1569 30.8366 66.1569 52.364 GPRESSAVG: 4043000 2.59198 -4.993 28.3086 -2.22559 -19.5348 64.5237 33.293 67.4463 51.7142 TIMING: 4043000 CPU: 11708.7, 0.00290418/step Wall: 11708.7, 0.00290418/step, 0.772029 hours remaining, 209.839844 MB of memory in use. ENERGY: 4043000 741.6981 2127.2609 1944.4472 118.8101 -206222.7343 17682.8496 0.0000 0.0000 34141.1850 -149466.4835 298.1635 -183607.6685 -149365.4118 298.6514 -97.3023 -66.4756 557271.5502 11.7577 11.5905 PRESSURE: 4043200 -28.9993 17.5744 48.2441 17.5733 90.8157 73.5812 48.2436 73.5819 6.73958 GPRESSURE: 4043200 8.3258 -37.3677 33.4727 -10.6887 158.928 0.421125 29.6016 77.1304 4.91959 PRESSAVG: 4043200 27.3423 -15.7614 32.2494 -15.7614 11.469 -0.876641 32.2494 -0.876614 -21.3685 GPRESSAVG: 4043200 26.9392 -16.3375 37.2469 -17.0951 12.0302 0.209811 29.4716 -1.04531 -21.5055 TIMING: 4043200 CPU: 11709.3, 0.00288889/step Wall: 11709.3, 0.00288889/step, 0.767804 hours remaining, 209.839844 MB of memory in use. ENERGY: 4043200 711.0870 2097.6532 1977.6491 107.2483 -206216.8776 17715.5709 0.0000 0.0000 34315.5816 -149292.0875 299.6865 -183607.6691 -149192.3742 298.7320 22.8520 57.3910 557689.8118 5.8143 5.8213 PRESSURE: 4043400 -227.017 -36.1492 -125.256 -36.1483 -142.823 183.956 -125.255 183.958 -11.7915 GPRESSURE: 4043400 -222.916 -37.0048 -151.964 -55.8935 -83.9028 171.915 -111.42 137.835 9.77439 PRESSAVG: 4043400 53.608 31.8226 -12.7166 31.8226 -49.1085 31.6458 -12.7166 31.6457 -54.1148 GPRESSAVG: 4043400 54.1387 32.3432 -16.1931 32.1626 -49.8791 30.4625 -11.7069 31.616 -54.2402 TIMING: 4043400 CPU: 11709.8, 0.00291638/step Wall: 11709.8, 0.00291638/step, 0.774947 hours remaining, 209.839844 MB of memory in use. ENERGY: 4043400 730.3544 2118.3651 1940.6473 109.9488 -206000.1408 17690.7323 0.0000 0.0000 34199.9565 -149210.1364 298.6767 -183410.0929 -149103.5886 299.3561 -127.2106 -99.0149 558077.7609 -16.5384 -16.6602 PRESSURE: 4043600 115.691 18.631 -107.064 18.6307 83.8039 52.5505 -107.064 52.5519 -253.208 GPRESSURE: 4043600 158.768 100.708 -65.2264 -1.56512 128.072 117.955 -112.3 62.8477 -235.947 PRESSAVG: 4043600 4.13403 14.409 3.47693 14.409 -7.7969 -30.0421 3.47703 -30.0422 16.0894 GPRESSAVG: 4043600 3.96039 14.3376 2.67113 14.2206 -8.04252 -27.2976 5.10997 -29.5454 17.1901 TIMING: 4043600 CPU: 11710.4, 0.00289345/step Wall: 11710.4, 0.00289345/step, 0.768694 hours remaining, 209.839844 MB of memory in use. ENERGY: 4043600 733.4130 2064.8024 1922.9428 112.4127 -206511.6959 17890.3494 0.0000 0.0000 34495.6079 -149292.1675 301.2587 -183787.7755 -149192.1157 299.1743 -17.9042 16.9642 557475.7702 4.1422 4.3693 PRESSURE: 4043800 18.7472 -159.595 67.993 -159.595 151.854 -219.369 67.9924 -219.369 -61.9126 GPRESSURE: 4043800 50.5934 -116.35 109.525 -248.077 169.439 -239.407 106.144 -98.793 -22.2927 PRESSAVG: 4043800 12.6768 -36.5138 0.756487 -36.5139 48.6449 -8.21169 0.756507 -8.21177 -49.834 GPRESSAVG: 4043800 12.7427 -36.883 0.635741 -37.268 49.0864 -10.7159 -0.495386 -7.32618 -49.9495 TIMING: 4043800 CPU: 11711, 0.00288807/step Wall: 11711, 0.00288807/step, 0.767105 hours remaining, 209.839844 MB of memory in use. ENERGY: 4043800 733.2500 2124.3855 1953.3604 109.1341 -206799.8994 18067.0618 0.0000 0.0000 34529.0957 -149283.6120 301.5512 -183812.7077 -149188.3169 299.6966 36.2296 65.9132 558672.4585 3.8292 3.9598 PRESSURE: 4044000 77.8161 -119.645 -93.6577 -119.644 93.5527 29.0764 -93.6576 29.0762 -172.719 GPRESSURE: 4044000 118.238 -123.045 -115.088 -173.577 95.8988 91.8118 -105.761 8.51128 -127.86 PRESSAVG: 4044000 6.50818 -47.8085 -18.0171 -47.8084 19.5754 40.2078 -18.0171 40.2079 -49.8104 GPRESSAVG: 4044000 6.20378 -45.253 -16.7273 -47.9307 21.2167 42.8733 -16.317 39.9479 -50.6271 TIMING: 4044000 CPU: 11711.6, 0.00288535/step Wall: 11711.6, 0.00288535/step, 0.766222 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4044000 753.0085 2101.0306 1958.4944 114.7412 -206014.3891 17842.8961 0.0000 0.0000 34000.3407 -149243.8776 296.9334 -183244.2182 -149140.4491 298.8031 -0.4499 28.7588 559703.0903 -7.9090 -7.7355 PRESSURE: 4044200 -25.652 -13.4193 112.166 -13.4201 -112.104 -124.017 112.166 -124.018 -184.437 GPRESSURE: 4044200 -10.0939 -81.45 94.1458 9.14037 -84.0432 -34.8029 54.7104 -180.551 -140.218 PRESSAVG: 4044200 -91.8336 -44.3714 1.40896 -44.3714 -12.182 2.27886 1.40893 2.27894 82.1633 GPRESSAVG: 4044200 -91.4872 -46.5534 2.91427 -43.0035 -13.8552 0.484961 -0.718892 1.80479 82.8794 TIMING: 4044200 CPU: 11712.1, 0.00288963/step Wall: 11712.1, 0.00288963/step, 0.767198 hours remaining, 209.839844 MB of memory in use. ENERGY: 4044200 761.3501 2132.2079 1922.7183 108.1607 -206267.5675 17720.6245 0.0000 0.0000 34365.2710 -149257.2350 300.1205 -183622.5060 -149151.2811 299.2008 -107.3977 -78.1185 558880.1384 -7.2841 -7.4877 LDB: ============= START OF LOAD BALANCING ============== 11715.5 LDB: ============== END OF LOAD BALANCING =============== 11715.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11715.5 LDB: ============= START OF LOAD BALANCING ============== 11715.8 LDB: Largest compute 4773 load 0.022624 is 19.2% of average load 0.118037 LDB: Average compute 0.001724 is 1.5% of average load 0.118037 LDB: TIME 11715.8 LOAD: AVG 0.118037 MAX 0.180231 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 11715.8 LOAD: AVG 0.118037 MAX 0.180231 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 11715.8 LOAD: AVG 0.118037 MAX 0.180231 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11715.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11715.8 PRESSURE: 4044400 -59.8459 66.3299 -55.4872 66.3305 188.327 83.9069 -55.4882 83.9072 33.7049 GPRESSURE: 4044400 -19.7933 103.408 -75.6608 59.16 190.497 31.5715 -115.027 113.87 89.7662 PRESSAVG: 4044400 -94.0661 10.3238 16.2083 10.324 50.0302 19.6578 16.2083 19.6578 40.9716 GPRESSAVG: 4044400 -93.9881 10.5211 15.6059 11.2738 50.0319 19.5481 17.2189 19.258 40.7281 TIMING: 4044400 CPU: 11712.7, 0.00295823/step Wall: 11712.7, 0.00295823/step, 0.785247 hours remaining, 210.863281 MB of memory in use. ENERGY: 4044400 708.3522 2066.5609 1938.3573 113.1165 -206111.0041 17799.3415 0.0000 0.0000 34288.3194 -149196.9563 299.4484 -183485.2757 -149101.3454 299.0281 54.0622 86.8232 557501.5036 -1.0215 -1.0760 PRESSURE: 4044600 0.707203 188.382 -110.903 188.383 40.3799 120.119 -110.902 120.119 23.6832 GPRESSURE: 4044600 16.502 138.593 -116.333 231.747 56.2513 81.4183 -161.076 107.09 82.5778 PRESSAVG: 4044600 -58.8524 -39.9261 20.6815 -39.9261 -34.7471 -6.6664 20.6815 -6.66645 67.4984 GPRESSAVG: 4044600 -57.6941 -38.4972 19.7237 -42.2702 -34.9879 -5.79788 20.7214 -7.5305 66.437 TIMING: 4044600 CPU: 11713.3, 0.00288446/step Wall: 11713.3, 0.00288446/step, 0.765505 hours remaining, 211.066406 MB of memory in use. ENERGY: 4044600 791.8542 2112.2563 1946.8224 113.1460 -206320.6298 18083.7566 0.0000 0.0000 34189.4148 -149083.3795 298.5847 -183272.7943 -148993.8321 299.2881 21.5901 51.7770 557373.7683 -8.7004 -8.7483 PRESSURE: 4044800 27.5472 86.0222 -82.3927 86.021 210.686 102.455 -82.3925 102.455 210.713 GPRESSURE: 4044800 77.4834 160.028 14.9675 105.729 231.075 196.764 -101.743 -6.79453 239.13 PRESSAVG: 4044800 -23.729 9.25686 -29.5021 9.2569 35.258 -11.1241 -29.5021 -11.124 12.1922 GPRESSAVG: 4044800 -24.7921 7.57731 -28.1799 12.3748 35.5057 -12.7055 -29.721 -8.9849 13.2995 TIMING: 4044800 CPU: 11713.9, 0.00288785/step Wall: 11713.9, 0.00288784/step, 0.766241 hours remaining, 211.066406 MB of memory in use. ENERGY: 4044800 705.9589 2107.7703 1939.6434 107.8814 -206435.2025 17968.4856 0.0000 0.0000 34585.5206 -149019.9423 302.0440 -183605.4629 -148919.2810 298.8644 149.6485 182.5627 557636.0396 7.9071 8.0044 PRESSURE: 4045000 73.0887 13.2612 -11.5681 13.2619 21.7602 -109.145 -11.5691 -109.144 2.25574 GPRESSURE: 4045000 65.4104 8.87568 -54.9775 12.4129 96.7535 -45.893 29.898 -104.473 33.395 PRESSAVG: 4045000 9.07952 -18.3061 -44.3604 -18.306 45.6343 22.2262 -44.3602 22.2261 -24.832 GPRESSAVG: 4045000 8.48729 -16.5759 -46.3524 -19.4047 46.6791 21.8637 -44.7766 22.8474 -25.0389 TIMING: 4045000 CPU: 11714.5, 0.00292132/step Wall: 11714.5, 0.00292132/step, 0.774961 hours remaining, 211.066406 MB of memory in use. ENERGY: 4045000 761.1344 2072.3696 1939.3232 116.6934 -206123.8739 17821.5522 0.0000 0.0000 34375.1848 -149037.6162 300.2070 -183412.8010 -148940.6030 300.5800 32.3682 65.1863 557039.4701 9.9606 10.0425 PRESSURE: 4045200 260.45 25.7317 29.2375 25.732 -97.6957 -98.7368 29.2362 -98.738 -92.1853 GPRESSURE: 4045200 254.102 91.7244 67.0932 -28.3918 -65.6307 -127.2 56.4296 -135.246 -30.1536 PRESSAVG: 4045200 17.7211 26.6163 -38.3329 26.6163 -35.5847 9.83044 -38.3328 9.83041 35.5714 GPRESSAVG: 4045200 18.725 27.351 -37.9619 26.8573 -36.7519 10.7126 -36.4536 6.29583 35.5934 TIMING: 4045200 CPU: 11715.1, 0.00291819/step Wall: 11715.1, 0.00291819/step, 0.77397 hours remaining, 211.066406 MB of memory in use. ENERGY: 4045200 773.9091 2104.3908 1944.2471 116.6863 -206144.5998 17915.2068 0.0000 0.0000 34373.2638 -148916.8960 300.1903 -183290.1598 -148818.7060 299.7180 23.5231 52.7727 558202.8004 5.9026 5.8555 PRESSURE: 4045400 15.9949 -20.7033 32.6258 -20.7034 224.298 -11.4584 32.6255 -11.4619 -27.4469 GPRESSURE: 4045400 -1.46527 -57.879 55.307 -70.6528 304.328 90.9984 -11.6919 -32.6119 -1.28298 PRESSAVG: 4045400 -64.5288 4.42217 -21.396 4.42217 18.9918 -22.7434 -21.3961 -22.7434 29.5716 GPRESSAVG: 4045400 -65.037 3.64034 -20.4172 4.65477 19.761 -23.0369 -23.1759 -19.9173 29.6687 TIMING: 4045400 CPU: 11715.6, 0.0028965/step Wall: 11715.6, 0.0028965/step, 0.768054 hours remaining, 211.066406 MB of memory in use. ENERGY: 4045400 741.3217 2081.2672 1951.2357 115.9188 -206092.2093 18080.1631 0.0000 0.0000 34217.0122 -148905.2906 298.8257 -183122.3028 -148805.9644 300.8079 70.9487 100.5265 560049.0804 -5.3218 -5.2024 PRESSURE: 4045600 -79.2633 57.4314 220.436 57.4312 -67.7909 -28.5008 220.436 -28.4986 -325.201 GPRESSURE: 4045600 -63.0915 83.1911 185.362 64.0793 -60.8578 -17.7387 159.219 -18.0395 -249.355 PRESSAVG: 4045600 -7.59363 25.3069 14.0426 25.307 24.3254 -18.6807 14.0427 -18.6807 -12.3577 GPRESSAVG: 4045600 -7.17857 23.8576 13.6178 24.5753 22.3152 -17.5079 14.3513 -18.7234 -11.302 TIMING: 4045600 CPU: 11716.2, 0.00287249/step Wall: 11716.2, 0.00287249/step, 0.76153 hours remaining, 211.066406 MB of memory in use. ENERGY: 4045600 768.8805 2088.8472 1941.7277 107.6629 -205872.7533 17673.4495 0.0000 0.0000 34194.8214 -149097.3642 298.6319 -183292.1855 -148990.4044 300.1596 -157.4185 -124.4348 560026.7495 1.4580 1.2782 PRESSURE: 4045800 -158.681 -215.093 -125.776 -215.094 -319.635 50.7268 -125.776 50.7277 -472.277 GPRESSURE: 4045800 -177.671 -204.078 -80.1553 -221.361 -272.632 11.1809 -181.99 121.004 -404.854 PRESSAVG: 4045800 26.2084 -2.67847 8.39914 -2.67845 -12.191 22.1006 8.3991 22.1005 12.5298 GPRESSAVG: 4045800 26.7857 -3.44051 8.36711 -1.35944 -12.1525 20.4254 7.90583 23.8845 11.496 TIMING: 4045800 CPU: 11716.8, 0.00288774/step Wall: 11716.8, 0.00288774/step, 0.765411 hours remaining, 211.066406 MB of memory in use. ENERGY: 4045800 756.0042 2105.0314 1953.1024 106.4662 -205686.5176 17428.1372 0.0000 0.0000 34357.8000 -148979.9761 300.0552 -183337.7761 -148882.3187 300.3179 -316.8643 -285.0522 559473.5669 8.8491 8.7097 PRESSURE: 4046000 2.75263 -183.675 -37.7084 -183.675 -235.987 -73.3809 -37.7094 -73.3803 -28.6577 GPRESSURE: 4046000 25.0553 -113.066 37.2502 -180.994 -161.584 -63.3344 -60.0266 -80.0149 -21.1264 PRESSAVG: 4046000 43.9975 -2.8426 13.3839 -2.84264 35.9223 -12.8447 13.3839 -12.8447 -78.4418 GPRESSAVG: 4046000 44.1055 0.635625 13.1521 -4.77723 36.266 -12.7295 14.7551 -15.242 -78.8657 TIMING: 4046000 CPU: 11717.4, 0.00287875/step Wall: 11717.4, 0.00287875/step, 0.762868 hours remaining, 211.066406 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: 4046000 720.9508 2149.1719 1932.8071 113.3263 -205823.3087 17689.6971 0.0000 0.0000 34337.3970 -148879.9585 299.8770 -183217.3555 -148782.0259 300.5565 -87.2972 -52.5516 556549.5384 0.4926 0.5019 PRESSURE: 4046200 67.98 28.0869 65.581 28.0876 255.662 -102.23 65.5809 -102.228 -43.0943 GPRESSURE: 4046200 86.8672 79.5319 25.0973 -11.2019 287.913 -95.3728 -20.6525 -82.8286 -8.52561 PRESSAVG: 4046200 9.86356 6.60346 -56.7262 6.60349 -2.03384 -63.1022 -56.7262 -63.1022 17.5687 GPRESSAVG: 4046200 9.9753 4.60201 -56.5014 6.45418 -1.72645 -64.1004 -57.9473 -63.1727 17.781 TIMING: 4046200 CPU: 11717.9, 0.00286821/step Wall: 11717.9, 0.00286821/step, 0.759916 hours remaining, 211.066406 MB of memory in use. ENERGY: 4046200 755.0930 2103.3562 1950.9510 106.9472 -206147.4360 17919.4527 0.0000 0.0000 34339.9815 -148971.6544 299.8996 -183311.6359 -148869.4676 300.1804 93.5158 122.0847 556761.6555 8.4661 8.6766 PRESSURE: 4046400 -122.405 -81.3543 -101.158 -81.3549 -227.904 -218.35 -101.159 -218.349 103.625 GPRESSURE: 4046400 -62.0126 -100.672 -70.7335 37.6125 -214.992 -191.576 -149.584 -122.27 124.715 PRESSAVG: 4046400 -41.6115 -28.8382 -35.7205 -28.8383 -36.1576 -31.5198 -35.7206 -31.5198 24.0252 GPRESSAVG: 4046400 -41.8674 -28.2029 -37.5491 -26.799 -36.6945 -32.8172 -35.976 -30.9486 24.1942 TIMING: 4046400 CPU: 11718.5, 0.00287347/step Wall: 11718.5, 0.00287347/step, 0.761151 hours remaining, 211.066406 MB of memory in use. ENERGY: 4046400 740.2516 2165.2034 1943.8638 116.0644 -205852.2119 17611.0235 0.0000 0.0000 34380.3174 -148895.4879 300.2519 -183275.8053 -148793.2304 300.4410 -82.2280 -50.7634 559334.6205 -17.9146 -18.1226 PRESSURE: 4046600 -27.526 82.2466 -206.265 82.2454 -323.322 16.8814 -206.266 16.8833 -213.476 GPRESSURE: 4046600 -23.5476 178.762 -216.805 -25.124 -292.665 27.8335 -120.785 31.2933 -140.507 PRESSAVG: 4046600 21.1111 -21.2176 0.178787 -21.2175 -22.3221 -43.1216 0.178759 -43.1215 7.65553 GPRESSAVG: 4046600 20.4009 -21.7786 3.42392 -23.804 -21.0139 -40.5166 0.286968 -44.0505 7.1785 TIMING: 4046600 CPU: 11719.1, 0.0028658/step Wall: 11719.1, 0.0028658/step, 0.758959 hours remaining, 211.066406 MB of memory in use. ENERGY: 4046600 753.6609 2108.8858 1969.6402 117.8747 -205806.6353 17450.6294 0.0000 0.0000 34413.1067 -148992.8376 300.5382 -183405.9443 -148892.0994 300.0285 -188.1080 -152.2397 558743.7974 2.1482 2.1885 PRESSURE: 4046800 -89.5285 -1.25872 -96.5055 -1.25851 -46.7147 -47.8525 -96.5062 -47.8522 -220.616 GPRESSURE: 4046800 -93.2535 60.9955 -76.1957 -11.988 -43.8067 53.8453 -77.4005 -136.876 -123.044 PRESSAVG: 4046800 13.3456 22.899 -31.2435 22.8989 -31.8476 -29.9738 -31.2435 -29.9738 19.8455 GPRESSAVG: 4046800 14.121 24.1388 -32.5799 23.3585 -32.2079 -29.2891 -30.3043 -28.8159 19.5522 TIMING: 4046800 CPU: 11719.7, 0.00288698/step Wall: 11719.7, 0.00288698/step, 0.764407 hours remaining, 211.066406 MB of memory in use. ENERGY: 4046800 744.3757 2161.5986 1953.2340 110.1549 -205742.9240 17581.3514 0.0000 0.0000 34204.6471 -148987.5623 298.7177 -183192.2094 -148896.4083 300.0343 -118.9529 -86.7015 557929.4166 0.4478 0.4885 PRESSURE: 4047000 -58.3296 183.665 -54.2199 183.665 92.4707 -161.308 -54.2182 -161.308 -117.064 GPRESSURE: 4047000 -0.900219 164.853 -123.324 84.0184 151.905 -148.947 12.9111 -158.114 -125.267 PRESSAVG: 4047000 39.8319 73.1954 -2.07285 73.1955 27.5847 -53.7031 -2.07287 -53.7031 -52.9546 GPRESSAVG: 4047000 39.5242 71.3811 -0.250927 72.5538 27.26 -54.7639 -4.7931 -55.0014 -52.3814 TIMING: 4047000 CPU: 11720.2, 0.00288322/step Wall: 11720.2, 0.00288322/step, 0.763252 hours remaining, 211.066406 MB of memory in use. ENERGY: 4047000 713.2618 2112.4317 1970.0277 98.3635 -206153.7768 17741.6074 0.0000 0.0000 34461.2893 -149056.7954 300.9590 -183518.0847 -148959.6452 300.2118 -27.6411 8.5794 557235.9042 4.8207 4.8009 PRESSURE: 4047200 -169.931 -33.3548 -94.1607 -33.3559 -58.0048 -40.8922 -94.1621 -40.8918 -218.51 GPRESSURE: 4047200 -141.55 -81.4971 -88.1352 63.6548 -21.9508 -90.2508 -137.355 1.91389 -192.809 PRESSAVG: 4047200 43.6206 -19.5802 -37.287 -19.5803 0.967267 3.65812 -37.287 3.65821 -70.609 GPRESSAVG: 4047200 42.963 -19.1937 -37.4939 -17.3259 1.12963 3.65205 -36.5077 4.77567 -70.6962 TIMING: 4047200 CPU: 11720.8, 0.0028853/step Wall: 11720.8, 0.0028853/step, 0.763642 hours remaining, 211.066406 MB of memory in use. ENERGY: 4047200 733.4767 2133.6370 1936.5243 100.7867 -205756.2043 17606.2479 0.0000 0.0000 34279.0683 -148966.4633 299.3676 -183245.5316 -148870.2863 300.2703 -148.8153 -118.7696 557608.8252 -8.6737 -8.8679 PRESSURE: 4047400 -213.105 -228.446 -8.03221 -228.446 -34.1489 -139.108 -8.0319 -139.108 -43.372 GPRESSURE: 4047400 -185.666 -187.885 -21.8988 -229.875 16.1045 -156.915 5.98554 -132.86 -30.0671 PRESSAVG: 4047400 -4.34262 -65.3223 -5.41828 -65.3223 3.99098 -13.3368 -5.41833 -13.3368 -22.8918 GPRESSAVG: 4047400 -4.65544 -65.6359 -7.2911 -65.8697 4.2244 -15.1534 -4.30602 -14.9211 -22.8254 TIMING: 4047400 CPU: 11721.4, 0.00289289/step Wall: 11721.4, 0.00289289/step, 0.765491 hours remaining, 211.066406 MB of memory in use. ENERGY: 4047400 742.3663 2104.0964 1943.3815 110.5469 -205736.2582 17495.5801 0.0000 0.0000 34079.5081 -149260.7789 297.6248 -183340.2871 -149162.9013 299.2890 -96.8751 -66.5429 558163.0480 -7.7478 -7.7522 PRESSURE: 4047600 91.9613 -92.0065 -67.8295 -92.0078 86.5823 87.8251 -67.8302 87.8254 14.4538 GPRESSURE: 4047600 112.032 -75.0246 -96.5346 -88.0234 103.115 152.67 -20.3701 116.907 85.2675 PRESSAVG: 4047600 -10.8754 -53.5483 1.93662 -53.5484 -9.39929 0.853002 1.93669 0.852944 25.6947 GPRESSAVG: 4047600 -11.6752 -52.6256 2.95205 -54.4593 -9.81413 3.57529 1.04347 3.10868 26.665 TIMING: 4047600 CPU: 11722, 0.00291/step Wall: 11722, 0.00291/step, 0.769858 hours remaining, 211.066406 MB of memory in use. ENERGY: 4047600 762.8301 2065.4882 1931.5335 101.5466 -206309.9775 17976.4513 0.0000 0.0000 34284.0785 -149188.0493 299.4114 -183472.1278 -149090.6013 299.1766 64.3325 100.1381 556332.2740 1.8067 1.7252 PRESSURE: 4047800 -100.561 170.553 0.126607 170.553 37.1867 84.9404 0.126297 84.9391 -93.6476 GPRESSURE: 4047800 -100.818 156.618 54.9332 106.955 63.884 125.138 25.2238 74.6314 -26.1635 PRESSAVG: 4047800 -48.5226 -22.6473 -38.6227 -22.6473 43.2176 21.3414 -38.6227 21.3413 48.3443 GPRESSAVG: 4047800 -47.8477 -22.3045 -38.7706 -24.2027 43.8431 20.5336 -37.8099 20.1674 47.3263 TIMING: 4047800 CPU: 11722.6, 0.00289251/step Wall: 11722.6, 0.00289251/step, 0.765069 hours remaining, 211.269531 MB of memory in use. ENERGY: 4047800 722.7205 2081.9996 1914.2434 118.2467 -205912.7804 17633.3545 0.0000 0.0000 34220.4359 -149221.7798 298.8556 -183442.2156 -149119.3723 299.0042 -52.3407 -21.0324 558248.9191 14.3464 14.4406 PRESSURE: 4048000 -220.597 132.707 229.976 132.708 32.8346 -190.742 229.976 -190.742 -43.0693 GPRESSURE: 4048000 -221.635 134.954 193.417 52.97 38.9344 -178.49 204.873 -147.006 32.8559 PRESSAVG: 4048000 -21.4988 30.3059 -35.6488 30.3058 41.1633 -18.3253 -35.6487 -18.3252 -5.45751 GPRESSAVG: 4048000 -22.0643 28.0606 -34.8617 33.5472 41.3698 -19.4013 -35.5895 -17.4723 -5.33063 TIMING: 4048000 CPU: 11723.1, 0.00290141/step Wall: 11723.1, 0.00290141/step, 0.767262 hours remaining, 211.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4048000 736.9520 2062.5734 1965.0209 119.8160 -206255.7754 17767.7081 0.0000 0.0000 34230.8550 -149372.8500 298.9466 -183603.7050 -149274.6383 298.6887 -76.9439 -49.9484 557222.7807 4.7357 4.6583 PRESSURE: 4048200 -207.482 6.01723 50.3159 6.01861 -137.73 100.704 50.3159 100.704 48.9477 GPRESSURE: 4048200 -179.228 -30.6456 -1.12967 51.4529 -158.235 27.3106 29.2395 105.932 136.821 PRESSAVG: 4048200 -13.0344 13.5767 -1.06939 13.5767 -50.9872 -40.3598 -1.06938 -40.3598 34.786 GPRESSAVG: 4048200 -11.1309 16.3539 -4.47557 13.4088 -51.451 -38.2879 -0.376005 -41.9444 33.8031 TIMING: 4048200 CPU: 11723.7, 0.00290322/step Wall: 11723.7, 0.00290322/step, 0.76758 hours remaining, 211.269531 MB of memory in use. ENERGY: 4048200 764.6145 2051.5653 1951.2660 121.8102 -206114.5104 17628.0000 0.0000 0.0000 34401.6944 -149195.5600 300.4386 -183597.2543 -149100.3658 299.6689 -98.7548 -66.8807 557975.9823 -9.7452 -9.5929 LDB: ============= START OF LOAD BALANCING ============== 11727.1 LDB: ============== END OF LOAD BALANCING =============== 11727.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11727.1 LDB: ============= START OF LOAD BALANCING ============== 11727.4 LDB: Largest compute 4773 load 0.025175 is 21.3% of average load 0.117986 LDB: Average compute 0.001721 is 1.5% of average load 0.117986 LDB: TIME 11727.4 LOAD: AVG 0.117986 MAX 0.18058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.121 MB LDB: TIME 11727.4 LOAD: AVG 0.117986 MAX 0.18058 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.191 MB LDB: TIME 11727.4 LOAD: AVG 0.117986 MAX 0.18058 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11727.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11727.4 PRESSURE: 4048400 98.2799 -114.689 34.2611 -114.689 15.8944 -83.8705 34.2609 -83.8695 -63.7146 GPRESSURE: 4048400 130.458 -43.997 24.3763 -105.47 48.3796 -71.6612 -22.7877 -81.4855 -21.1957 PRESSAVG: 4048400 13.0437 -1.93069 13.4039 -1.93064 -29.851 -27.6615 13.4038 -27.6615 7.49302 GPRESSAVG: 4048400 11.2371 -4.01625 15.8938 -1.46368 -29.0736 -29.1057 13.5803 -25.8133 9.02944 TIMING: 4048400 CPU: 11724.3, 0.00296574/step Wall: 11724.3, 0.00296574/step, 0.783944 hours remaining, 209.898438 MB of memory in use. ENERGY: 4048400 727.3390 2128.6943 1947.7860 109.0768 -206043.1508 17817.1699 0.0000 0.0000 34284.9660 -149028.1187 299.4191 -183313.0848 -148934.0492 299.9676 16.8199 52.5475 557812.5472 -3.1048 -2.9357 PRESSURE: 4048600 0.758551 -12.8929 -19.6893 -12.8932 -122.586 160.919 -19.6906 160.92 -215.247 GPRESSURE: 4048600 50.5627 -9.77635 -101.841 44.0136 -61.683 143.921 115.968 145.492 -227.919 PRESSAVG: 4048600 13.5996 -6.19562 -17.5363 -6.19551 19.279 66.2393 -17.5364 66.2393 5.15225 GPRESSAVG: 4048600 15.1328 -6.18691 -16.6837 -6.0822 18.7592 64.3446 -17.5974 66.9237 4.58948 TIMING: 4048600 CPU: 11724.9, 0.00290921/step Wall: 11724.9, 0.00290921/step, 0.768838 hours remaining, 209.898438 MB of memory in use. ENERGY: 4048600 764.6277 2143.0825 1937.1427 115.1790 -206037.0594 17637.5597 0.0000 0.0000 34175.1007 -149264.3671 298.4597 -183439.4678 -149170.3855 299.1971 -112.3582 -79.6798 560084.4130 12.6769 12.8272 PRESSURE: 4048800 87.2196 192.757 -35.9364 192.758 -22.5675 -164.136 -35.9364 -164.136 139.681 GPRESSURE: 4048800 144.271 143.815 -14.1083 172.067 10.3987 -83.1686 -7.70427 -163.941 151.582 PRESSAVG: 4048800 4.40485 -41.7069 -3.35742 -41.707 -0.290001 31.9361 -3.35748 31.936 -12.1281 GPRESSAVG: 4048800 4.55746 -41.17 -5.92046 -41.3138 -0.835411 33.1238 -2.25655 29.3803 -12.048 TIMING: 4048800 CPU: 11725.5, 0.00289108/step Wall: 11725.5, 0.00289108/step, 0.763888 hours remaining, 209.898438 MB of memory in use. ENERGY: 4048800 728.2888 2125.8052 1965.3575 114.4221 -206605.3282 18041.6195 0.0000 0.0000 34111.3684 -149518.4667 297.9031 -183629.8351 -149417.8649 299.0632 68.1110 102.0838 557076.0324 -2.6711 -2.7753 PRESSURE: 4049000 -5.97171 78.9318 106.741 78.9323 -1.61487 26.0656 106.741 26.0657 -38.6269 GPRESSURE: 4049000 -0.0443597 54.3506 116.943 92.7023 19.8328 -31.1288 172.119 129.008 32.0091 PRESSAVG: 4049000 22.5121 -36.1732 4.94228 -36.1731 7.00276 -10.6038 4.9424 -10.6038 -25.5723 GPRESSAVG: 4049000 22.073 -34.3949 7.99277 -38.7011 7.05357 -11.1379 3.67037 -9.54493 -25.4214 TIMING: 4049000 CPU: 11726, 0.00287223/step Wall: 11726, 0.00287223/step, 0.758746 hours remaining, 209.898438 MB of memory in use. ENERGY: 4049000 743.5257 2156.6196 1948.0139 114.7547 -206373.9597 17815.7015 0.0000 0.0000 34002.1878 -149593.1565 296.9496 -183595.3443 -149497.5942 297.9848 -15.4045 17.2659 556948.8193 1.3142 1.2351 PRESSURE: 4049200 -6.12175 111.159 34.5523 111.158 56.1476 -29.9584 34.5514 -29.958 17.7625 GPRESSURE: 4049200 41.0341 111.081 -105.848 73.9412 40.7399 11.1054 109.589 -16.7069 79.3734 PRESSAVG: 4049200 -13.5934 10.3505 13.2845 10.3505 -5.50304 -38.7905 13.2845 -38.7905 78.3758 GPRESSAVG: 4049200 -12.2114 9.50051 13.9492 9.88798 -6.43785 -38.9166 13.8949 -36.7035 77.9509 TIMING: 4049200 CPU: 11726.6, 0.00287006/step Wall: 11726.6, 0.00287006/step, 0.758016 hours remaining, 209.898438 MB of memory in use. ENERGY: 4049200 740.9250 2106.4496 1932.1064 116.2653 -206453.8287 17732.0642 0.0000 0.0000 34332.4450 -149493.5731 299.8338 -183826.0181 -149393.1197 298.2115 22.5961 53.7158 555802.6421 19.7598 19.7672 PRESSURE: 4049400 103.404 -77.3558 -236.86 -77.3572 52.9544 -21.3023 -236.86 -21.3028 72.0096 GPRESSURE: 4049400 109.767 -25.0064 -221.019 -61.4905 143.17 -14.661 -130.349 54.6902 78.8645 PRESSAVG: 4049400 -65.2145 52.7145 30.8883 52.7144 -0.862776 -22.5023 30.8883 -22.5023 39.6931 GPRESSAVG: 4049400 -67.0519 54.5815 30.4987 55.2328 0.0100335 -22.7948 29.3503 -23.2388 40.9992 TIMING: 4049400 CPU: 11727.2, 0.00290199/step Wall: 11727.2, 0.00290199/step, 0.766287 hours remaining, 209.898438 MB of memory in use. ENERGY: 4049400 761.2068 2104.0891 1985.6198 115.1198 -206507.5306 17977.9563 0.0000 0.0000 34158.5095 -149405.0294 298.3148 -183563.5389 -149315.4777 298.2588 76.1226 110.6003 555637.9748 -8.7947 -8.6809 PRESSURE: 4049600 80.0746 -244.005 100.051 -244.005 -166.661 -26.1704 100.05 -26.172 -171.537 GPRESSURE: 4049600 117.159 -241.55 -14.3477 -299.107 -116.296 -40.388 215.36 -53.5594 -158.023 PRESSAVG: 4049600 36.8503 12.2397 22.8633 12.2397 36.0649 -11.3513 22.8633 -11.3514 -57.829 GPRESSAVG: 4049600 37.1395 11.3747 19.2503 11.1856 35.8324 -11.6661 26.5862 -10.5372 -58.0498 TIMING: 4049600 CPU: 11727.8, 0.00290412/step Wall: 11727.8, 0.00290412/step, 0.766689 hours remaining, 209.898438 MB of memory in use. ENERGY: 4049600 787.3283 2082.8457 1955.8331 127.0347 -206044.4394 17486.7407 0.0000 0.0000 34186.7884 -149417.8686 298.5617 -183604.6569 -149316.0846 298.8248 -86.0411 -52.3866 557489.9401 5.0287 4.9740 PRESSURE: 4049800 -124.593 116.871 -44.2415 116.871 -17.0447 -24.971 -44.2417 -24.9708 -88.8492 GPRESSURE: 4049800 -128.207 81.8923 39.4553 159.573 37.953 -62.1832 -39.5284 13.5716 -45.4403 PRESSAVG: 4049800 75.4422 -24.4118 13.9297 -24.4118 27.6923 -9.40053 13.9297 -9.40035 -97.8401 GPRESSAVG: 4049800 74.4251 -25.3803 15.9078 -24.9305 29.2295 -12.2453 11.9815 -10.09 -98.4822 TIMING: 4049800 CPU: 11728.4, 0.00289474/step Wall: 11728.4, 0.00289474/step, 0.764051 hours remaining, 209.898438 MB of memory in use. ENERGY: 4049800 764.1760 2101.8706 1948.3671 110.2084 -206530.0132 17832.1563 0.0000 0.0000 34172.3866 -149600.8481 298.4360 -183773.2348 -149496.1702 299.0732 -76.8290 -45.2313 556946.9799 1.7648 1.7241 PRESSURE: 4050000 89.7286 -101.945 -49.2279 -101.946 70.4404 -22.6166 -49.229 -22.6173 387.829 GPRESSURE: 4050000 100.466 -121.127 -37.2198 -65.4486 126.205 -132.844 -13.992 27.9324 421.074 PRESSAVG: 4050000 38.7868 18.2346 -1.03642 18.2347 -24.8738 -64.0587 -1.03645 -64.0587 27.5537 GPRESSAVG: 4050000 39.1529 18.5068 -0.735143 18.4339 -26.3536 -59.8899 -0.466264 -66.9773 28.7446 TIMING: 4050000 CPU: 11728.9, 0.00290108/step Wall: 11728.9, 0.00290108/step, 0.765564 hours remaining, 209.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4050000 800.2080 2080.0591 1969.7641 111.2204 -206681.0778 18081.2892 0.0000 0.0000 34114.9938 -149523.5433 297.9347 -183638.5370 -149439.4579 299.1291 182.6659 215.9150 556086.1621 13.8223 13.8480 PRESSURE: 4050200 39.6205 14.2402 -7.71652 14.2406 118.061 14.8219 -7.71572 14.8228 54.0391 GPRESSURE: 4050200 90.8846 -81.1226 -41.241 30.7895 137.966 13.5076 48.5108 49.8681 72.4245 PRESSAVG: 4050200 -26.1363 7.24944 4.96429 7.24942 -32.8269 -19.1504 4.96426 -19.1505 34.8977 GPRESSAVG: 4050200 -25.0815 7.63702 3.65813 7.42255 -32.7736 -20.7834 2.59283 -16.2075 33.6562 TIMING: 4050200 CPU: 11729.5, 0.00291257/step Wall: 11729.5, 0.00291257/step, 0.768433 hours remaining, 209.898438 MB of memory in use. ENERGY: 4050200 783.5166 2020.7297 1948.9912 109.7811 -206680.5043 18009.1882 0.0000 0.0000 34293.6611 -149514.6365 299.4951 -183808.2976 -149409.2259 298.6543 70.5737 100.4250 557951.2207 -8.0218 -8.0663 PRESSURE: 4050400 -24.7693 6.4705 60.3141 6.4695 -161.224 -48.8091 60.3148 -48.8073 95.6865 GPRESSURE: 4050400 -26.5106 78.9711 99.175 41.7107 -79.4628 -18.2806 50.5815 -48.8079 118.183 PRESSAVG: 4050400 -16.2448 -11.4742 -50.7316 -11.4742 9.12983 -25.8657 -50.7317 -25.8657 -4.60041 GPRESSAVG: 4050400 -17.4721 -12.4233 -49.7438 -9.21002 9.53512 -24.3111 -49.9219 -27.7487 -3.71692 TIMING: 4050400 CPU: 11730.1, 0.0029051/step Wall: 11730.1, 0.0029051/step, 0.7663 hours remaining, 209.898438 MB of memory in use. ENERGY: 4050400 738.8496 2068.4385 1938.1691 118.7374 -206847.5561 18047.5628 0.0000 0.0000 34346.7412 -149589.0575 299.9586 -183935.7987 -149485.1275 298.3316 -30.1022 4.0698 557775.6096 -3.9051 -3.8846 PRESSURE: 4050600 75.6099 -118.26 40.1688 -118.26 154.026 113.972 40.1688 113.974 90.3003 GPRESSURE: 4050600 104.796 -217.645 26.2458 -121.153 153.602 36.1135 123.509 178.556 145.525 PRESSAVG: 4050600 -14.155 -33.8353 60.392 -33.8354 53.3503 -8.25094 60.3921 -8.25096 -25.8402 GPRESSAVG: 4050600 -13.2887 -32.105 62.4445 -37.4573 53.5752 -6.66134 59.6829 -7.19304 -27.2239 TIMING: 4050600 CPU: 11730.7, 0.00289613/step Wall: 11730.7, 0.00289613/step, 0.763773 hours remaining, 209.898438 MB of memory in use. ENERGY: 4050600 759.4078 2078.7907 1933.8725 101.9075 -206577.3266 17972.3233 0.0000 0.0000 34239.9470 -149491.0778 299.0260 -183731.0248 -149392.5306 298.0611 106.6454 134.6411 556955.1351 4.4517 4.3542 PRESSURE: 4050800 -83.5297 106.57 63.8507 106.57 -150.023 19.0291 63.8505 19.0294 131.135 GPRESSURE: 4050800 -43.9529 141.967 129.479 39.0886 -84.7333 47.3991 46.1172 -11.8166 133.6 PRESSAVG: 4050800 8.94606 -31.4189 61.9393 -31.4188 -48.7686 -27.028 61.9393 -27.0279 -6.32143 GPRESSAVG: 4050800 8.75617 -33.4958 59.7935 -29.7079 -48.3594 -26.9179 61.8206 -28.4937 -6.02521 TIMING: 4050800 CPU: 11731.3, 0.00290213/step Wall: 11731.3, 0.00290213/step, 0.765195 hours remaining, 209.898438 MB of memory in use. ENERGY: 4050800 739.9509 2077.0705 1943.5666 119.9915 -206381.8864 17886.0889 0.0000 0.0000 34057.3507 -149557.8673 297.4313 -183615.2180 -149461.4142 298.1765 -34.1394 1.6379 556961.1906 -15.3813 -15.2095 PRESSURE: 4051000 -120.553 -44.237 4.97138 -44.238 -30.6767 81.4905 4.97135 81.49 -18.8652 GPRESSURE: 4051000 -120.56 -64.2032 -28.1734 -21.3645 24.7121 24.0222 -21.3577 119.126 37.3002 PRESSAVG: 4051000 -14.8359 -3.11022 3.46657 -3.11018 -58.7547 -1.64922 3.46654 -1.64946 32.9756 GPRESSAVG: 4051000 -14.3891 -2.86454 5.42705 -1.20289 -59.7294 -3.20252 4.91597 0.477098 34.0667 TIMING: 4051000 CPU: 11731.8, 0.00289679/step Wall: 11731.8, 0.00289679/step, 0.763627 hours remaining, 209.898438 MB of memory in use. ENERGY: 4051000 755.1399 2087.4171 1924.7111 100.8469 -206349.5763 17880.0010 0.0000 0.0000 34101.3514 -149500.1089 297.8156 -183601.4603 -149398.6948 298.5631 -56.6982 -19.5160 558586.0072 -13.5383 -13.3506 PRESSURE: 4051200 367.777 -43.5 -155.551 -43.5 -124.48 -28.2613 -155.552 -28.2607 72.1375 GPRESSURE: 4051200 369.423 -48.5957 -81.5753 -115.714 -86.1039 -76.3522 -98.9347 -2.94844 125.304 PRESSAVG: 4051200 32.7032 -33.6895 0.976796 -33.6896 29.7128 -12.855 0.976774 -12.855 -27.4887 GPRESSAVG: 4051200 32.609 -34.562 0.0890314 -34.9312 30.0544 -13.9454 -1.15698 -12.9192 -28.2364 TIMING: 4051200 CPU: 11732.4, 0.00288869/step Wall: 11732.4, 0.00288869/step, 0.761331 hours remaining, 209.898438 MB of memory in use. ENERGY: 4051200 714.7681 2114.8418 1949.4598 117.8496 -206591.3204 17934.0213 0.0000 0.0000 34270.6954 -149489.6843 299.2945 -183760.3798 -149395.7948 298.4755 105.1449 136.2079 557434.8916 11.6424 11.4757 PRESSURE: 4051400 -87.6563 -232.003 -153.715 -232.003 169.641 -29.3827 -153.714 -29.3817 94.1612 GPRESSURE: 4051400 -67.2904 -319.396 -148.852 -139.603 187.464 20.5063 -131.928 -94.3402 155.692 PRESSAVG: 4051400 23.3339 42.2527 -46.153 42.2528 -10.3667 -24.255 -46.153 -24.2549 5.93667 GPRESSAVG: 4051400 23.4212 44.3556 -44.8349 40.6803 -10.4033 -21.4093 -46.6004 -24.8207 6.16261 TIMING: 4051400 CPU: 11733, 0.00287644/step Wall: 11733, 0.00287644/step, 0.757942 hours remaining, 209.898438 MB of memory in use. ENERGY: 4051400 713.2307 2124.7532 1943.1942 116.5896 -206243.6676 17916.4987 0.0000 0.0000 34021.4725 -149407.9288 297.1180 -183429.4013 -149319.5193 298.0158 58.7153 91.9554 559696.0344 6.3013 6.3935 PRESSURE: 4051600 -8.36768 23.2643 -104.965 23.2647 -165.852 107.343 -104.967 107.343 -34.6003 GPRESSURE: 4051600 29.2434 45.561 -110.656 28.8123 -143.217 33.711 -131.3 154.859 -3.60548 PRESSAVG: 4051600 24.4153 -62.8399 -10.9168 -62.8399 28.9218 20.2296 -10.9169 20.2297 -65.7551 GPRESSAVG: 4051600 24.0273 -61.8536 -12.2552 -62.1216 29.6528 18.7628 -10.5076 20.4839 -66.1047 TIMING: 4051600 CPU: 11733.6, 0.00289113/step Wall: 11733.6, 0.00289113/step, 0.761651 hours remaining, 209.898438 MB of memory in use. ENERGY: 4051600 728.8821 2114.4940 1948.2193 115.6120 -206198.2325 17619.5329 0.0000 0.0000 34379.9615 -149291.5307 300.2488 -183671.4923 -149194.8038 298.8018 -69.6066 -39.1930 558305.5062 -4.1394 -4.1415 PRESSURE: 4051800 -70.8993 38.4504 -15.5017 38.4504 -167.907 -102.937 -15.5014 -102.936 24.4212 GPRESSURE: 4051800 -55.6754 -18.3663 -55.2648 40.356 -149.518 -136.418 -41.5155 -55.1805 91.562 PRESSAVG: 4051800 -1.1433 7.50218 41.1607 7.50213 -40.3063 -46.3287 41.1607 -46.3286 22.507 GPRESSAVG: 4051800 -1.28563 7.73652 40.4754 5.02014 -40.3561 -46.0887 42.3479 -46.5046 22.4185 TIMING: 4051800 CPU: 11734.2, 0.00287711/step Wall: 11734.2, 0.00287711/step, 0.757798 hours remaining, 209.898438 MB of memory in use. ENERGY: 4051800 747.0180 2177.3722 1946.4828 102.8910 -206224.9149 17730.1308 0.0000 0.0000 34244.2939 -149276.7262 299.0639 -183521.0201 -149180.0662 299.2393 -71.4617 -37.8772 556533.0871 -6.3142 -6.4077 PRESSURE: 4052000 -41.893 6.35185 73.5425 6.35182 33.3779 207.253 73.541 207.252 17.1466 GPRESSURE: 4052000 -21.6003 71.052 30.9071 -29.3638 6.09733 159.961 68.7197 213.949 110.656 PRESSAVG: 4052000 -6.49166 17.6139 -18.4988 17.6139 7.72302 -29.5231 -18.4987 -29.5231 31.4617 GPRESSAVG: 4052000 -6.35796 15.1713 -17.2888 21.3232 7.42276 -31.5969 -19.6952 -28.7393 31.8306 TIMING: 4052000 CPU: 11734.7, 0.00288851/step Wall: 11734.7, 0.00288851/step, 0.760642 hours remaining, 209.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4052000 762.7684 2104.8056 1949.6444 114.2312 -206344.9882 17741.7179 0.0000 0.0000 34396.4945 -149275.3261 300.3931 -183671.8206 -149184.5025 299.4383 2.8772 31.7178 556544.8895 10.8977 10.9651 PRESSURE: 4052200 63.0174 -47.0506 -61.2675 -47.0503 -83.392 -70.8837 -61.2666 -70.884 -97.8336 GPRESSURE: 4052200 131.999 -97.5601 -28.6602 60.7069 -16.0931 -134.049 -23.8456 -46.1236 -134.531 PRESSAVG: 4052200 4.43877 22.0653 -49.4517 22.0654 56.1109 -32.3098 -49.4517 -32.3099 -29.6227 GPRESSAVG: 4052200 5.49794 23.0747 -50.1041 19.685 56.7237 -31.5539 -49.3615 -33.7051 -31.0032 TIMING: 4052200 CPU: 11735.3, 0.00288182/step Wall: 11735.3, 0.00288182/step, 0.758718 hours remaining, 209.898438 MB of memory in use. ENERGY: 4052200 796.0774 2111.8868 1961.6870 118.2065 -205994.7209 17682.4460 0.0000 0.0000 33969.9411 -149354.4762 296.6679 -183324.4173 -149258.7610 298.5376 -39.4028 -6.2084 556411.1487 10.3090 10.4062 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 LDB: Largest compute 4773 load 0.024350 is 20.6% of average load 0.118000 LDB: Average compute 0.001731 is 1.5% of average load 0.118000 LDB: TIME 11739 LOAD: AVG 0.118 MAX 0.179724 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 11739 LOAD: AVG 0.118 MAX 0.179724 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.066 MB LDB: TIME 11739 LOAD: AVG 0.118 MAX 0.179724 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.066 MB LDB: ============== END OF LOAD BALANCING =============== 11739 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 PRESSURE: 4052400 73.7972 -26.7396 -87.9678 -26.7381 -153.921 -54.8791 -87.9674 -54.8793 27.8469 GPRESSURE: 4052400 69.67 -63.2285 -136.498 73.399 -76.8324 -55.3166 -133.538 38.0914 62.5372 PRESSAVG: 4052400 -10.5089 -54.151 -89.5464 -54.151 0.595297 -22.5292 -89.5464 -22.5292 -0.815161 GPRESSAVG: 4052400 -11.3778 -54.6 -88.8114 -53.5472 0.64184 -23.031 -88.9237 -21.1394 0.13944 TIMING: 4052400 CPU: 11735.9, 0.00296674/step Wall: 11735.9, 0.00296674/step, 0.780913 hours remaining, 210.863281 MB of memory in use. ENERGY: 4052400 757.3183 2048.1433 1944.5102 117.6695 -206114.4160 17723.9550 0.0000 0.0000 34155.3536 -149367.4661 298.2872 -183522.8197 -149266.8609 299.4087 -17.4256 18.4583 556122.6856 -3.5763 -3.5322 PRESSURE: 4052600 161.851 139.477 11.3556 139.477 168.916 151.11 11.3558 151.111 116.733 GPRESSURE: 4052600 263.627 128.897 21.9289 112.82 148.129 101.142 -30.3745 171.455 149.964 PRESSAVG: 4052600 23.3783 -44.5961 4.80273 -44.596 -10.8828 69.5851 4.80272 69.5852 3.45083 GPRESSAVG: 4052600 23.6516 -43.5718 3.46615 -46.5153 -11.9474 71.4254 4.52339 68.2844 4.57535 TIMING: 4052600 CPU: 11736.5, 0.00286223/step Wall: 11736.5, 0.00286223/step, 0.753243 hours remaining, 210.863281 MB of memory in use. ENERGY: 4052600 727.2930 2148.1498 1957.1678 103.5049 -206409.0746 17966.0401 0.0000 0.0000 34121.2734 -149385.6456 297.9896 -183506.9189 -149287.6513 298.3952 149.1664 187.2398 556683.5603 5.3154 5.4265 PRESSURE: 4052800 298.012 -95.1537 -13.3201 -95.1524 -49.8412 -37.9429 -13.3184 -37.9423 396.824 GPRESSURE: 4052800 336.731 -122.118 87.133 -59.4968 -100.848 -25.4651 -62.3661 -66.3869 504.049 PRESSAVG: 4052800 26.0821 -5.6457 10.9291 -5.64571 -25.6918 28.4942 10.9291 28.4942 10.0337 GPRESSAVG: 4052800 25.1261 -5.15106 13.1431 -4.21718 -24.412 28.1719 9.49645 29.5979 9.06928 TIMING: 4052800 CPU: 11737, 0.00286442/step Wall: 11737, 0.00286442/step, 0.753661 hours remaining, 210.863281 MB of memory in use. ENERGY: 4052800 727.1229 2085.6951 1973.7113 123.2067 -206588.8005 18066.3261 0.0000 0.0000 34413.9676 -149198.7708 300.5457 -183612.7383 -149100.2945 299.1872 214.9982 246.6444 555482.8804 3.4746 3.2611 PRESSURE: 4053000 -266.067 -67.0554 -103.561 -67.0555 -309.431 59.7452 -103.561 59.7441 -420.583 GPRESSURE: 4053000 -268.807 -113.179 -92.3048 -91.2221 -281.905 132.009 -148.81 19.8101 -343.899 PRESSAVG: 4053000 8.56622 13.473 6.07803 13.473 3.93259 -29.4335 6.07808 -29.4335 -9.04392 GPRESSAVG: 4053000 8.93598 12.632 3.92609 14.6056 2.89417 -28.8166 8.49131 -30.1566 -8.63147 TIMING: 4053000 CPU: 11737.6, 0.00288536/step Wall: 11737.6, 0.00288536/step, 0.75901 hours remaining, 210.863281 MB of memory in use. ENERGY: 4053000 771.0093 2028.2343 1952.9200 116.1438 -205618.7155 17213.9107 0.0000 0.0000 34381.9407 -149154.5566 300.2660 -183536.4973 -149052.2738 300.0194 -332.0271 -298.2034 557456.0867 1.1516 1.0662 PRESSURE: 4053200 -10.4235 88.2665 61.8028 88.2658 36.2255 -82.7058 61.8021 -82.7043 131.07 GPRESSURE: 4053200 1.49603 140.278 124.843 126.687 101.773 -49.0487 -28.0958 -138.582 157.633 PRESSAVG: 4053200 -17.8598 41.4348 29.6016 41.4348 71.8441 -28.919 29.6016 -28.919 -28.4924 GPRESSAVG: 4053200 -16.8484 43.2982 31.322 40.4009 71.921 -28.122 27.6761 -29.5845 -29.4121 TIMING: 4053200 CPU: 11738.2, 0.00287696/step Wall: 11738.2, 0.00287696/step, 0.75664 hours remaining, 210.863281 MB of memory in use. ENERGY: 4053200 757.9815 2129.0807 1945.2975 113.5193 -206365.5784 17963.5355 0.0000 0.0000 34437.9110 -149018.2530 300.7548 -183456.1640 -148924.4790 300.2764 52.2907 86.9676 557255.8332 8.4973 8.5535 PRESSURE: 4053400 -144.773 69.5617 38.2293 69.5611 179.222 -340.215 38.2282 -340.214 -110.78 GPRESSURE: 4053400 -57.0141 35.1751 119.582 84.4726 197.248 -232.866 -33.32 -366.339 -116.732 PRESSAVG: 4053400 14.7603 -7.53483 -1.06324 -7.53481 -11.5575 -8.25157 -1.06325 -8.2516 -5.42203 GPRESSAVG: 4053400 14.6643 -7.18791 -0.401921 -8.83248 -11.2025 -9.06403 0.0314254 -7.99135 -5.85739 TIMING: 4053400 CPU: 11738.8, 0.00289939/step Wall: 11738.8, 0.00289939/step, 0.762377 hours remaining, 210.863281 MB of memory in use. ENERGY: 4053400 728.7207 2084.4977 1940.3169 114.6106 -205570.0245 17562.4286 0.0000 0.0000 34192.9844 -148946.4655 298.6158 -183139.4498 -148848.2184 299.6454 -25.4434 7.8339 558723.6312 -0.7397 -0.7985 PRESSURE: 4053600 217.796 3.33975 -11.6677 3.34115 152.749 -14.4997 -11.6682 -14.5005 259.852 GPRESSURE: 4053600 248.092 22.6554 -47.5268 -12.0296 208.797 -57.152 46.5249 -54.3597 271.698 PRESSAVG: 4053600 8.69656 20.1328 -2.62134 20.1329 29.2601 -9.80569 -2.62138 -9.80572 -37.3875 GPRESSAVG: 4053600 7.67457 17.6975 -7.25161 20.9396 29.4734 -12.3823 -1.02246 -8.79931 -36.8996 TIMING: 4053600 CPU: 11739.4, 0.00288221/step Wall: 11739.4, 0.00288221/step, 0.7577 hours remaining, 210.863281 MB of memory in use. ENERGY: 4053600 731.8106 2119.6583 1957.3456 114.1445 -206445.5262 18223.8699 0.0000 0.0000 34187.9939 -149110.7033 298.5723 -183298.6972 -149017.1709 299.7122 210.1324 242.8624 557539.2683 0.1897 0.0828 PRESSURE: 4053800 -40.2973 17.1603 101.679 17.1594 -60.2045 -48.5156 101.679 -48.516 119.738 GPRESSURE: 4053800 11.4472 12.3505 21.9502 64.581 -29.2719 -79.1191 151.597 -49.1619 130.504 PRESSAVG: 4053800 -32.6626 -24.0845 20.7661 -24.0845 36.4759 -35.5804 20.766 -35.5803 11.7364 GPRESSAVG: 4053800 -32.4602 -22.5891 22.024 -22.3321 36.345 -33.4261 17.8275 -38.4561 11.7665 TIMING: 4053800 CPU: 11739.9, 0.00287394/step Wall: 11739.9, 0.00287394/step, 0.755367 hours remaining, 210.863281 MB of memory in use. ENERGY: 4053800 757.3376 2107.3428 1954.3394 115.9981 -206361.4873 17814.4646 0.0000 0.0000 34522.2544 -149089.7504 301.4914 -183612.0049 -148997.3858 299.5669 6.4122 37.5598 558334.9859 5.1832 5.2171 PRESSURE: 4054000 -15.5015 81.4889 228.266 81.489 37.8765 -41.155 228.266 -41.1546 86.0162 GPRESSURE: 4054000 29.9418 82.1794 238.363 30.2972 59.2733 -3.58318 159.761 -56.4902 112.474 PRESSAVG: 4054000 -41.1448 13.2558 -0.361943 13.2558 -33.6346 -15.6821 -0.361869 -15.6822 96.9129 GPRESSAVG: 4054000 -40.753 13.6362 0.507666 12.5831 -34.129 -15.8225 0.957718 -13.3981 96.8505 TIMING: 4054000 CPU: 11740.5, 0.00288432/step Wall: 11740.5, 0.00288432/step, 0.757934 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4054000 749.1474 2065.7097 1947.2175 109.0105 -206015.9030 17814.6991 0.0000 0.0000 34113.9661 -149216.1527 297.9258 -183330.1188 -149125.5825 298.9997 36.1304 67.2298 556411.1185 7.3778 7.3228 PRESSURE: 4054200 -201.872 168.338 180.543 168.338 -94.5628 -8.2585 180.543 -8.25811 -69.7659 GPRESSURE: 4054200 -119.16 221.098 218.409 137.074 -91.5295 -13.4717 229.242 62.9613 -50.2237 PRESSAVG: 4054200 -20.3305 1.18715 54.0363 1.18704 -22.0869 -12.2912 54.0362 -12.2911 64.7683 GPRESSAVG: 4054200 -20.9336 0.765233 54.1043 1.31118 -21.7306 -12.371 53.7719 -10.0856 64.8495 TIMING: 4054200 CPU: 11741.1, 0.00288485/step Wall: 11741.1, 0.00288485/step, 0.757914 hours remaining, 210.863281 MB of memory in use. ENERGY: 4054200 728.4273 2033.0783 1943.7265 113.2276 -205695.8466 17455.8879 0.0000 0.0000 34200.8013 -149220.6977 298.6841 -183421.4990 -149126.0392 299.0841 -122.0669 -86.9709 556358.8182 7.4503 7.3951 PRESSURE: 4054400 -293.368 -110.258 76.1234 -110.259 -298.899 22.0057 76.1223 22.0062 -152.101 GPRESSURE: 4054400 -232.806 -70.3091 43.3446 -81.2791 -261.901 -0.822775 86.8171 30.1921 -146.485 PRESSAVG: 4054400 -13.7092 -3.29703 -28.0894 -3.29704 -40.0845 -23.8204 -28.0894 -23.8205 50.3266 GPRESSAVG: 4054400 -15.7733 -2.60279 -28.4015 -3.77844 -39.425 -23.7886 -28.5221 -26.8167 51.7119 TIMING: 4054400 CPU: 11741.7, 0.00288577/step Wall: 11741.7, 0.00288577/step, 0.757994 hours remaining, 210.863281 MB of memory in use. ENERGY: 4054400 760.6239 2129.7465 1924.6799 112.8969 -205734.4450 17498.4665 0.0000 0.0000 34131.2241 -149176.8071 298.0765 -183308.0312 -149080.7068 299.5648 -248.1226 -213.7307 557467.0962 -1.1557 -1.1622 PRESSURE: 4054600 104.226 135.442 39.8536 135.441 315.367 -100.369 39.8529 -100.37 9.75255 GPRESSURE: 4054600 120.07 188.464 27.5162 -13.0743 372.17 -112.858 74.526 -83.6347 32.5739 PRESSAVG: 4054600 -21.5283 -36.0088 38.7553 -36.0088 109.854 -28.295 38.7552 -28.295 -91.0452 GPRESSAVG: 4054600 -20.0634 -36.9741 38.7971 -36.204 109.582 -30.0527 39.5437 -25.9452 -92.8885 TIMING: 4054600 CPU: 11742.2, 0.00286942/step Wall: 11742.2, 0.00286942/step, 0.753542 hours remaining, 210.863281 MB of memory in use. ENERGY: 4054600 727.6947 2114.1812 1945.2611 111.6984 -206290.2775 17910.4001 0.0000 0.0000 34175.4782 -149305.5638 298.4630 -183481.0420 -149208.5814 299.8526 143.1151 174.9378 554876.7282 -0.9064 -1.1235 PRESSURE: 4054800 -60.6626 -79.4022 32.5428 -79.4014 -27.6123 -36.649 32.543 -36.6484 -256.395 GPRESSURE: 4054800 -13.1709 -191.499 -112.597 -50.1492 -29.533 -95.7489 16.8755 -5.10906 -212.83 PRESSAVG: 4054800 29.4158 -17.3627 18.0387 -17.3628 -68.464 7.16893 18.0388 7.16887 33.7006 GPRESSAVG: 4054800 27.2176 -16.6154 18.2467 -17.5722 -68.203 6.16055 17.0777 6.69193 35.3575 TIMING: 4054800 CPU: 11742.8, 0.00287333/step Wall: 11742.8, 0.00287333/step, 0.754409 hours remaining, 210.863281 MB of memory in use. ENERGY: 4054800 735.2314 2053.8553 1951.7802 125.7832 -205918.1653 17596.2535 0.0000 0.0000 34408.3477 -149046.9139 300.4967 -183455.2616 -148952.2351 299.3833 -114.8899 -85.1781 558396.6141 -1.7825 -1.8759 PRESSURE: 4055000 -112.109 -111.663 -51.4029 -111.662 101.268 32.9067 -51.4036 32.9062 -80.2195 GPRESSURE: 4055000 -47.9297 -116.016 -51.764 -123.389 129.272 28.9495 -87.2569 32.8442 -69.1788 PRESSAVG: 4055000 36.0798 -46.0477 12.1094 -46.0476 24.3388 30.1484 12.1094 30.1484 -29.3091 GPRESSAVG: 4055000 36.5677 -45.8463 12.4255 -46.9002 23.7396 35.3132 12.8129 29.0723 -28.9045 TIMING: 4055000 CPU: 11743.4, 0.00285891/step Wall: 11743.4, 0.00285891/step, 0.750465 hours remaining, 210.863281 MB of memory in use. ENERGY: 4055000 783.6528 2012.4005 1952.0094 101.0654 -205929.1355 17766.7193 0.0000 0.0000 34363.0937 -148950.1944 300.1014 -183313.2882 -148855.9842 299.6169 -30.3536 4.0546 557488.1889 10.3698 10.4676 PRESSURE: 4055200 -26.6129 69.8054 -28.2352 69.8052 212.454 -110.39 -28.2347 -110.39 -165.089 GPRESSURE: 4055200 14.5835 43.6452 -21.5607 64.4095 230.996 -67.3676 -62.6208 -243.806 -116.209 PRESSAVG: 4055200 16.1071 -51.1698 23.5005 -51.1698 27.7321 -21.4173 23.5005 -21.4172 -94.0345 GPRESSAVG: 4055200 17.148 -52.9037 22.4062 -51.7357 27.7405 -23.0785 22.4426 -20.742 -95.0442 TIMING: 4055200 CPU: 11744, 0.00285585/step Wall: 11744, 0.00285585/step, 0.749502 hours remaining, 210.863281 MB of memory in use. ENERGY: 4055200 753.9993 2053.0622 1948.0598 100.6451 -206217.0895 17742.6501 0.0000 0.0000 34637.5829 -148981.0901 302.4986 -183618.6730 -148881.3339 300.5983 6.9173 43.1234 556808.5593 -16.7318 -16.7186 PRESSURE: 4055400 -107.167 -143.897 37.6179 -143.897 -97.6503 -109.693 37.6197 -109.696 -92.7792 GPRESSURE: 4055400 -120.894 -138.312 39.6134 -154.21 -41.3521 -105.12 73.8744 -48.9381 -38.0315 PRESSAVG: 4055400 13.1291 -68.4756 -20.9415 -68.4755 18.9958 28.3503 -20.9414 28.3502 5.26642 GPRESSAVG: 4055400 12.8964 -68.3173 -21.5927 -66.6454 18.6418 30.8802 -20.3301 26.6657 5.3979 TIMING: 4055400 CPU: 11744.5, 0.00285518/step Wall: 11744.5, 0.00285518/step, 0.749168 hours remaining, 210.863281 MB of memory in use. ENERGY: 4055400 762.7584 2035.7164 1963.2851 104.8478 -206051.3411 17684.7098 0.0000 0.0000 34540.5831 -148959.4405 301.6515 -183500.0236 -148863.3496 300.4606 -99.1988 -66.7592 556812.9614 12.4638 12.3120 PRESSURE: 4055600 100.697 95.3825 -115.684 95.3828 155.21 40.5897 -115.684 40.589 205.879 GPRESSURE: 4055600 217.078 -1.46156 -172.724 113.009 127.738 -1.48322 -58.3563 -9.18017 229.947 PRESSAVG: 4055600 -13.3714 -10.6845 -44.0812 -10.6845 54.0047 33.3962 -44.0813 33.3962 -44.3402 GPRESSAVG: 4055600 -12.548 -9.9448 -40.5324 -10.8661 54.2527 32.4481 -44.0026 35.4835 -45.3777 TIMING: 4055600 CPU: 11745.1, 0.00287148/step Wall: 11745.1, 0.00287148/step, 0.753285 hours remaining, 210.863281 MB of memory in use. ENERGY: 4055600 757.8773 2051.5160 1945.2671 111.0373 -206200.2211 18083.4723 0.0000 0.0000 34346.5223 -148904.5288 299.9567 -183251.0511 -148804.3128 299.8785 153.9285 191.5878 556398.5929 -1.2356 -1.2243 PRESSURE: 4055800 176.959 -202.996 -116.203 -202.996 -0.0342337 33.5599 -116.203 33.5594 41.7442 GPRESSURE: 4055800 144.436 -171.024 -109.845 -214.14 79.9197 -15.6479 -98.3416 45.1991 85.8622 PRESSAVG: 4055800 -26.3613 -49.5271 12.5875 -49.5272 34.9894 49.1876 12.5875 49.1876 -44.0323 GPRESSAVG: 4055800 -27.5998 -47.9195 10.993 -50.9153 36.0319 47.2237 13.8338 48.1037 -43.9141 TIMING: 4055800 CPU: 11745.7, 0.00287449/step Wall: 11745.7, 0.0028745/step, 0.753916 hours remaining, 210.863281 MB of memory in use. ENERGY: 4055800 742.8289 2069.1409 1971.6310 117.6302 -205921.0878 17767.3721 0.0000 0.0000 34288.6068 -148963.8780 299.4509 -183252.4848 -148868.0636 300.1348 72.8898 103.4058 556619.3963 -11.8014 -11.8273 PRESSURE: 4056000 37.5404 -124.461 -14.7696 -124.462 -30.9987 -159.215 -14.7697 -159.214 1.85557 GPRESSURE: 4056000 61.2416 -138.999 32.5178 -139.559 -8.04945 -156.012 -35.4985 -152.065 61.9879 PRESSAVG: 4056000 -29.2626 -42.4024 -19.9537 -42.4024 0.892702 6.00782 -19.9536 6.00786 70.3843 GPRESSAVG: 4056000 -30.2367 -45.079 -21.0301 -41.6956 1.04685 6.11338 -19.7298 7.18836 71.1305 TIMING: 4056000 CPU: 11746.2, 0.00287823/step Wall: 11746.2, 0.00287823/step, 0.754736 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4056000 761.7268 2024.4267 1986.2495 98.8935 -206101.3236 17947.5482 0.0000 0.0000 34258.5195 -149023.9593 299.1882 -183282.4788 -148929.4125 300.6388 2.7991 38.3934 557880.9668 14.0048 13.9802 PRESSURE: 4056200 -215.445 -58.5036 50.739 -58.5053 1.70073 113.94 50.7389 113.938 40.0728 GPRESSURE: 4056200 -147.44 -148.217 10.117 -48.4026 23.9379 121.771 99.3197 55.9511 50.9395 PRESSAVG: 4056200 -34.333 10.575 14.4723 10.575 29.3642 -22.3045 14.4723 -22.3044 3.21396 GPRESSAVG: 4056200 -33.2379 11.2712 13.0265 9.67666 29.0454 -22.6305 14.4349 -21.6909 2.55073 TIMING: 4056200 CPU: 11746.8, 0.00288181/step Wall: 11746.8, 0.00288181/step, 0.755516 hours remaining, 210.863281 MB of memory in use. ENERGY: 4056200 749.0016 2074.7467 1961.5683 103.8826 -206168.8862 17876.8039 0.0000 0.0000 34518.7227 -148884.1605 301.4606 -183402.8831 -148794.6164 299.9461 -57.8904 -24.1876 558622.6220 -0.5849 -0.5473 LDB: ============= START OF LOAD BALANCING ============== 11750.2 LDB: ============== END OF LOAD BALANCING =============== 11750.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11750.2 LDB: ============= START OF LOAD BALANCING ============== 11750.5 LDB: Largest compute 4773 load 0.025036 is 21.2% of average load 0.118057 LDB: Average compute 0.001725 is 1.5% of average load 0.118057 LDB: TIME 11750.5 LOAD: AVG 0.118057 MAX 0.180044 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.402 MB LDB: TIME 11750.5 LOAD: AVG 0.118057 MAX 0.180044 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.473 MB LDB: TIME 11750.5 LOAD: AVG 0.118057 MAX 0.180044 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.473 MB LDB: ============== END OF LOAD BALANCING =============== 11750.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11750.5 PRESSURE: 4056400 2.61539 -32.1095 -85.2665 -32.1089 -281.585 89.2324 -85.2661 89.2301 14.4258 GPRESSURE: 4056400 41.2304 48.6156 -38.8748 -101.263 -230.939 88.3956 -202.399 57.3098 34.1411 PRESSAVG: 4056400 -46.2629 11.67 26.1418 11.6699 -19.3851 -6.02043 26.1418 -6.02056 60.6628 GPRESSAVG: 4056400 -45.8908 13.2077 27.3732 10.2951 -18.4596 -5.85017 23.3942 -7.10712 59.6785 TIMING: 4056400 CPU: 11747.4, 0.00295041/step Wall: 11747.4, 0.00295041/step, 0.773337 hours remaining, 210.468750 MB of memory in use. ENERGY: 4056400 722.4031 2035.9320 1972.9421 102.1138 -205969.3793 17756.7626 0.0000 0.0000 34436.1140 -148943.1115 300.7391 -183379.2256 -148845.7890 300.3948 -88.1814 -51.8558 558917.3753 -1.6617 -1.5573 PRESSURE: 4056600 -90.2112 64.8914 -7.93474 64.8915 -134.028 -34.5814 -7.9356 -34.582 178.452 GPRESSURE: 4056600 -54.5479 54.51 4.10153 -5.68586 -99.0775 -20.5431 -8.27214 -159.367 212.454 PRESSAVG: 4056600 -0.855761 9.2659 10.8877 9.26597 9.10978 -34.9062 10.8875 -34.9062 22.8982 GPRESSAVG: 4056600 -2.32156 6.90947 9.79952 10.5801 8.6959 -35.5246 10.7346 -34.0979 24.9934 TIMING: 4056600 CPU: 11748, 0.00287279/step Wall: 11748, 0.00287279/step, 0.752831 hours remaining, 210.539062 MB of memory in use. ENERGY: 4056600 760.6422 2103.8792 1949.5236 110.2040 -206509.4907 18075.8405 0.0000 0.0000 34412.0100 -149097.3911 300.5286 -183509.4011 -149007.3020 299.3618 -15.2624 19.6095 558660.6417 10.3841 10.4559 PRESSURE: 4056800 -140.349 -28.6028 -41.3501 -28.6025 85.3828 -13.448 -41.3503 -13.4499 -0.5061 GPRESSURE: 4056800 -113.023 -49.4911 39.7218 -2.4785 116.897 -20.2162 29.5694 -14.0247 40.1149 PRESSAVG: 4056800 31.8128 10.0432 16.6658 10.0432 -39.7166 -7.77754 16.666 -7.77779 -6.85595 GPRESSAVG: 4056800 31.9532 9.65448 18.1734 11.5388 -38.5315 -7.64257 18.4328 -5.8426 -8.2774 TIMING: 4056800 CPU: 11748.6, 0.00288012/step Wall: 11748.6, 0.00288012/step, 0.754592 hours remaining, 210.539062 MB of memory in use. ENERGY: 4056800 707.1843 2183.0162 1956.6096 119.1412 -205925.9282 17673.7816 0.0000 0.0000 34313.9706 -148972.2247 299.6724 -183286.1953 -148880.0859 299.4200 -18.4907 14.6629 559093.9841 -4.9199 -4.9519 PRESSURE: 4057000 63.9027 54.6146 51.1214 54.6142 -29.4358 -106.303 51.1221 -106.303 -170.999 GPRESSURE: 4057000 78.0689 105.385 -15.5059 16.1698 21.4942 -81.712 153.193 -74.6513 -141.801 PRESSAVG: 4057000 -2.97796 -36.4018 27.2302 -36.4018 4.4806 1.57578 27.2302 1.57582 -43.5646 GPRESSAVG: 4057000 -2.22337 -34.119 26.7296 -37.0406 4.48206 0.842846 26.7425 -0.586645 -43.9193 TIMING: 4057000 CPU: 11749.1, 0.0028775/step Wall: 11749.1, 0.0028775/step, 0.753744 hours remaining, 210.539062 MB of memory in use. ENERGY: 4057000 716.8600 2054.4977 1959.0658 107.4810 -205715.3701 17700.6403 0.0000 0.0000 34355.8702 -148820.9551 300.0384 -183176.8252 -148730.1194 300.4431 -45.5106 -14.0792 560033.7321 -14.0207 -13.8869 PRESSURE: 4057200 -300.737 17.2215 30.7315 17.2208 -546.581 65.0285 30.7317 65.027 -369.275 GPRESSURE: 4057200 -212.708 -12.0574 -10.3114 37.6146 -539.65 91.0812 45.9151 18.7255 -358.942 PRESSAVG: 4057200 122.906 -6.26118 14.6182 -6.26125 -18.4908 34.437 14.6181 34.437 -35.8743 GPRESSAVG: 4057200 122.696 -7.22811 14.719 -5.79565 -19.8434 36.8546 13.6393 34.2066 -34.3255 TIMING: 4057200 CPU: 11749.7, 0.00287485/step Wall: 11749.7, 0.00287485/step, 0.75289 hours remaining, 210.539062 MB of memory in use. ENERGY: 4057200 750.2394 2115.5776 1975.7954 108.9216 -205334.0406 17280.7839 0.0000 0.0000 34221.1163 -148881.6063 298.8615 -183102.7226 -148790.7296 300.4486 -405.5309 -370.4334 560499.1799 22.8469 22.8425 PRESSURE: 4057400 -159.458 38.6748 72.6296 38.6749 -375.992 -67.0659 72.6295 -67.0665 32.4771 GPRESSURE: 4057400 -109.219 -30.0557 79.7245 10.5357 -340.543 -67.9446 95.2802 -116.593 42.6031 PRESSAVG: 4057400 49.46 19.2798 -11.5569 19.2797 -36.3526 58.1629 -11.5569 58.163 11.6623 GPRESSAVG: 4057400 49.611 19.2747 -11.6982 17.9768 -36.0525 55.2547 -11.4334 60.2323 10.2693 TIMING: 4057400 CPU: 11750.3, 0.00288551/step Wall: 11750.3, 0.00288551/step, 0.755523 hours remaining, 210.539062 MB of memory in use. ENERGY: 4057400 718.0396 2109.3536 1941.9697 111.5589 -205950.8453 17646.1517 0.0000 0.0000 34357.2841 -149066.4877 300.0507 -183423.7718 -148975.9010 300.0645 -167.6577 -135.7195 558780.1897 8.2566 7.9426 PRESSURE: 4057600 -11.9916 -202.574 28.4028 -202.573 317.81 5.12817 28.4036 5.1311 -233.911 GPRESSURE: 4057600 -33.9774 -133.402 79.1735 -182.358 349.29 58.3033 2.73797 16.5983 -138.366 PRESSAVG: 4057600 -49.6213 -60.173 -38.3355 -60.173 26.0619 -18.0848 -38.3356 -18.0848 -4.88325 GPRESSAVG: 4057600 -49.8682 -61.6032 -37.6121 -59.6797 25.7741 -16.4333 -38.4283 -20.2492 -4.16819 TIMING: 4057600 CPU: 11750.9, 0.00286951/step Wall: 11750.9, 0.00286951/step, 0.751173 hours remaining, 210.539062 MB of memory in use. ENERGY: 4057600 753.4670 2093.4839 1937.3114 117.1187 -206061.9289 17805.8899 0.0000 0.0000 34435.4089 -148919.2490 300.7330 -183354.6579 -148828.5029 299.9277 23.9692 58.9822 557184.8587 -9.4809 -9.4208 PRESSURE: 4057800 -209.806 42.3994 109.002 42.3987 -199.284 -0.765785 109 -0.765385 -36.3747 GPRESSURE: 4057800 -176.596 91.0384 52.4432 7.55924 -204.988 -13.3503 73.8533 28.2451 37.0875 PRESSAVG: 4057800 4.19324 -43.212 32.9716 -43.2119 14.555 -15.8063 32.9715 -15.8062 -38.5074 GPRESSAVG: 4057800 3.48516 -40.8228 31.077 -44.6506 15.8382 -15.2906 32.1002 -15.4736 -39.3132 TIMING: 4057800 CPU: 11751.4, 0.00288026/step Wall: 11751.4, 0.00288026/step, 0.753828 hours remaining, 210.539062 MB of memory in use. ENERGY: 4057800 727.5899 2169.2404 1925.2232 102.6964 -205467.5022 17396.7156 0.0000 0.0000 34368.9570 -148777.0796 300.1527 -183146.0367 -148677.9061 300.6129 -148.4881 -114.8321 558299.9025 -6.5864 -6.6633 PRESSURE: 4058000 -130.2 249.611 -182.037 249.609 25.4887 -16.0949 -182.037 -16.0956 -112.213 GPRESSURE: 4058000 -69.999 182.421 -134.006 246.56 73.1673 -36.5253 -159.354 -3.35181 -120.061 PRESSAVG: 4058000 -33.8137 53.9317 -10.0315 53.9318 -15.3247 -24.9024 -10.0315 -24.9023 15.8855 GPRESSAVG: 4058000 -33.4768 51.9915 -9.77842 55.8405 -15.5649 -24.1129 -7.18035 -24.3533 15.4982 TIMING: 4058000 CPU: 11752, 0.0028722/step Wall: 11752, 0.0028722/step, 0.751559 hours remaining, 210.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4058000 775.0192 2077.7747 1950.1667 111.3892 -206042.6002 17735.6846 0.0000 0.0000 34531.7776 -148860.7883 301.5746 -183392.5659 -148759.0289 300.8119 -72.3080 -38.9642 558424.7395 -11.0843 -11.1812 PRESSURE: 4058200 -79.8716 -13.6052 -38.3269 -13.6051 14.5093 187.966 -38.3264 187.967 -133.519 GPRESSURE: 4058200 -51.3426 11.2355 -93.4656 -44.7073 40.4442 147.934 -55.5098 173.254 -97.4004 PRESSAVG: 4058200 -27.6473 5.52652 -18.4501 5.52652 64.24 18.5702 -18.45 18.5703 -49.6701 GPRESSAVG: 4058200 -27.255 5.52047 -16.6531 4.66535 63.1414 16.847 -21.5989 18.5809 -49.1994 TIMING: 4058200 CPU: 11752.6, 0.00286641/step Wall: 11752.6, 0.00286641/step, 0.749884 hours remaining, 210.539062 MB of memory in use. ENERGY: 4058200 723.1163 2109.8661 1971.8748 116.6932 -205929.7448 17586.7635 0.0000 0.0000 34479.4887 -148941.9423 301.1180 -183421.4310 -148844.5550 299.8895 -66.2938 -36.0996 558260.9510 -4.3592 -4.4376 PRESSURE: 4058400 120.815 65.0715 -29.4543 65.072 -18.794 35.7218 -29.4537 35.7221 -99.6857 GPRESSURE: 4058400 149.724 19.5571 -1.04081 88.2184 67.8087 93.0996 -27.8083 -26.4353 -126.295 PRESSAVG: 4058400 39.5137 -6.53136 3.62183 -6.53127 -64.1045 59.0278 3.62184 59.0279 2.98389 GPRESSAVG: 4058400 39.1096 -5.4343 0.372614 -6.05137 -64.067 60.9125 5.03651 58.3742 3.42715 TIMING: 4058400 CPU: 11753.2, 0.00288575/step Wall: 11753.2, 0.00288575/step, 0.754785 hours remaining, 210.539062 MB of memory in use. ENERGY: 4058400 747.5295 2063.9292 1975.4037 102.4498 -206118.3999 17810.7807 0.0000 0.0000 34550.5389 -148867.7682 301.7384 -183418.3071 -148766.2537 300.3563 0.7784 30.4123 557358.0002 -7.2023 -7.1768 PRESSURE: 4058600 -163.262 -204.275 -138.242 -204.276 143.057 5.91018 -138.242 5.91221 14.9592 GPRESSURE: 4058600 -144.543 -198.536 -111.168 -193.809 172.807 -37.1487 -142.959 23.6478 79.5165 PRESSAVG: 4058600 -9.57995 -39.2019 0.329486 -39.202 16.1095 -22.0317 0.329565 -22.0318 39.2604 GPRESSAVG: 4058600 -10.5914 -39.2795 2.56374 -39.9411 16.8526 -22.2829 1.30856 -22.913 39.8368 TIMING: 4058600 CPU: 11753.7, 0.00288929/step Wall: 11753.7, 0.00288929/step, 0.75555 hours remaining, 210.539062 MB of memory in use. ENERGY: 4058600 704.1990 2098.1280 1950.7466 124.0244 -206057.2275 17945.0242 0.0000 0.0000 34536.9067 -148698.1987 301.6194 -183235.1053 -148603.7899 301.4835 -1.7484 35.9269 558940.8618 15.2633 15.3660 PRESSURE: 4058800 -216.328 103.668 -52.2225 103.668 9.18819 -10.9411 -52.2233 -10.941 40.6692 GPRESSURE: 4058800 -157.303 152.196 -62.386 12.0853 42.0375 -37.3916 -71.7629 3.06824 56.1071 PRESSAVG: 4058800 -21.2963 3.93715 17.8642 3.93712 5.15605 17.0484 17.8642 17.0484 33.1783 GPRESSAVG: 4058800 -19.4923 3.82839 15.8119 5.37674 5.19968 15.9703 18.0086 18.5165 31.657 TIMING: 4058800 CPU: 11754.3, 0.0028583/step Wall: 11754.3, 0.00285831/step, 0.747288 hours remaining, 210.539062 MB of memory in use. ENERGY: 4058800 738.4012 2072.3309 1936.2803 112.5454 -205669.6152 17513.3661 0.0000 0.0000 34456.0934 -148840.5980 300.9136 -183296.6913 -148747.4227 300.3351 -55.4902 -19.7195 557786.8800 5.6794 5.7881 PRESSURE: 4059000 -143.326 -52.9087 -49.9292 -52.9078 94.9403 19.305 -49.9282 19.3049 143.64 GPRESSURE: 4059000 -134.761 -12.1278 -79.6218 -86.013 91.6432 47.2707 -1.05019 55.5759 233.115 PRESSAVG: 4059000 26.592 -10.1681 -0.723884 -10.1679 45.2285 45.5702 -0.723949 45.5703 -83.0912 GPRESSAVG: 4059000 24.5999 -12.13 -0.867495 -11.8985 46.7428 45.4258 -0.292856 45.6183 -82.3799 TIMING: 4059000 CPU: 11754.9, 0.00286731/step Wall: 11754.9, 0.00286731/step, 0.749484 hours remaining, 210.539062 MB of memory in use. ENERGY: 4059000 729.3503 2043.3200 1965.9920 106.9276 -206011.8596 17999.2306 0.0000 0.0000 34321.8845 -148845.1546 299.7416 -183167.0391 -148741.3706 300.1739 31.7515 63.3325 557033.3524 -3.7569 -3.6791 PRESSURE: 4059200 -78.5321 -69.7565 24.9515 -69.7565 -60.7215 -175.578 24.9504 -175.579 11.5848 GPRESSURE: 4059200 -4.23174 -196.473 125.984 -17.3492 7.46409 -170.194 74.1218 -200.873 -44.769 PRESSAVG: 4059200 20.526 -24.7467 7.23591 -24.7468 19.4174 -43.3801 7.23591 -43.3801 -47.0356 GPRESSAVG: 4059200 21.9565 -23.3692 7.32964 -23.5707 18.6209 -41.6766 5.80387 -45.5314 -47.9169 TIMING: 4059200 CPU: 11755.5, 0.00286659/step Wall: 11755.5, 0.00286659/step, 0.749135 hours remaining, 210.539062 MB of memory in use. ENERGY: 4059200 742.5665 2094.0492 1968.7471 131.6140 -205884.7355 17555.5142 0.0000 0.0000 34508.7587 -148883.4858 301.3736 -183392.2446 -148787.5481 300.3323 -42.5562 -13.8456 559023.1052 -2.3641 -2.4465 PRESSURE: 4059400 184.348 -23.0984 8.33396 -23.0976 -6.89512 -48.9482 8.33345 -48.9484 -67.8383 GPRESSURE: 4059400 181.946 74.9797 -36.7344 -19.9847 24.6525 -41.5413 10.2878 -109.667 6.5059 PRESSAVG: 4059400 11.0924 5.30254 -6.27586 5.30253 15.2546 -49.8291 -6.27588 -49.829 -16.1949 GPRESSAVG: 4059400 10.521 5.57782 -6.65768 3.11867 15.6946 -49.228 -4.68414 -48.768 -15.5805 TIMING: 4059400 CPU: 11756, 0.00287074/step Wall: 11756, 0.00287074/step, 0.75006 hours remaining, 210.539062 MB of memory in use. ENERGY: 4059400 755.9099 2138.4692 1946.7238 104.0191 -205984.8869 17790.6788 0.0000 0.0000 34265.1423 -148983.9437 299.2460 -183249.0860 -148885.2368 300.2802 36.5383 71.0349 557714.6716 3.3840 3.5450 PRESSURE: 4059600 217.001 69.2809 55.5325 69.2812 -329.76 57.4596 55.5324 57.4608 -58.7675 GPRESSURE: 4059600 281.532 82.5058 28.0205 -24.2107 -301.982 74.2894 20.3737 8.51413 -48.3315 PRESSAVG: 4059600 -31.6628 -8.94418 -26.365 -8.9442 31.0516 54.3561 -26.365 54.3561 28.0254 GPRESSAVG: 4059600 -32.0715 -9.37444 -24.1055 -7.12933 31.2033 53.0738 -25.73 55.1077 27.9393 TIMING: 4059600 CPU: 11756.6, 0.00286949/step Wall: 11756.6, 0.00286949/step, 0.749574 hours remaining, 210.539062 MB of memory in use. ENERGY: 4059600 710.7413 2129.1751 1949.4241 106.4710 -205839.0464 17507.3546 0.0000 0.0000 34422.5916 -149013.2887 300.6211 -183435.8804 -148914.4544 300.3753 -57.1752 -22.9270 557615.1252 9.1381 9.0237 PRESSURE: 4059800 11.1394 -84.4077 106.234 -84.4077 -178.957 -75.9892 106.234 -75.9911 -61.4089 GPRESSURE: 4059800 38.6827 -43.1799 44.1174 -128.051 -162.318 -109.208 174.402 -78.3076 -21.7875 PRESSAVG: 4059800 -20.1184 -27.1735 18.8151 -27.1734 -37.9103 20.3092 18.815 20.3092 47.2164 GPRESSAVG: 4059800 -19.8615 -25.2767 15.6715 -29.4614 -38.1143 20.8497 19.3739 18.6879 46.7998 TIMING: 4059800 CPU: 11757.2, 0.00287313/step Wall: 11757.2, 0.00287313/step, 0.750364 hours remaining, 210.539062 MB of memory in use. ENERGY: 4059800 724.5027 2153.1530 1981.1294 109.5363 -206055.2984 17728.2073 0.0000 0.0000 34344.9792 -149013.7904 299.9432 -183358.7696 -148917.7902 300.1793 -76.4087 -48.4743 557632.2302 -3.6041 -3.7253 PRESSURE: 4060000 123.399 -121.388 29.9808 -121.388 289.23 20.4739 29.9812 20.4727 -41.8309 GPRESSURE: 4060000 138.236 -67.3397 -25.6384 -106.334 283.56 0.307529 27.2836 78.6045 63.3373 PRESSAVG: 4060000 -4.20326 -33.3176 36.5427 -33.3175 41.5702 58.9315 36.5427 58.9316 19.9411 GPRESSAVG: 4060000 -4.12318 -34.3829 37.6286 -32.1507 40.5224 56.8118 34.2932 61.5879 21.4216 TIMING: 4060000 CPU: 11757.8, 0.00287921/step Wall: 11757.8, 0.00287921/step, 0.751793 hours remaining, 210.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4060000 749.2458 2163.1653 1961.6504 110.9492 -206658.9204 18143.7832 0.0000 0.0000 34555.8820 -148974.2445 301.7851 -183530.1265 -148875.0801 300.1150 123.5992 161.7110 557134.4840 19.1027 19.2736 PRESSURE: 4060200 -122.119 -144.843 -87.817 -144.842 -45.5615 2.547 -87.8164 2.54614 -219.912 GPRESSURE: 4060200 -111.758 -121.716 31.8661 -168.238 -22.1821 -51.969 -110.07 62.2222 -163.435 PRESSAVG: 4060200 32.8232 -17.9603 12.9788 -17.9603 6.74141 42.8437 12.9788 42.8438 8.93674 GPRESSAVG: 4060200 33.3828 -17.2688 13.9834 -17.1513 6.92565 43.4046 11.5803 43.3468 7.39391 TIMING: 4060200 CPU: 11758.3, 0.00287391/step Wall: 11758.3, 0.00287391/step, 0.75025 hours remaining, 210.539062 MB of memory in use. ENERGY: 4060200 773.7965 2121.3159 1987.8220 102.3334 -206019.2096 17686.5193 0.0000 0.0000 34407.4833 -148939.9393 300.4891 -183347.4225 -148853.1925 299.7600 -129.1975 -99.1248 557910.2588 16.1671 15.9008 LDB: ============= START OF LOAD BALANCING ============== 11761.7 LDB: ============== END OF LOAD BALANCING =============== 11761.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11761.7 LDB: ============= START OF LOAD BALANCING ============== 11762 LDB: Largest compute 4773 load 0.023063 is 19.5% of average load 0.118052 LDB: Average compute 0.001727 is 1.5% of average load 0.118052 LDB: TIME 11762 LOAD: AVG 0.118052 MAX 0.179963 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.621 MB LDB: TIME 11762 LOAD: AVG 0.118052 MAX 0.179963 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.82 MB LDB: TIME 11762 LOAD: AVG 0.118052 MAX 0.179963 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11762 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11762 PRESSURE: 4060400 -25.543 -187.513 -178.153 -187.513 -97.7214 -94.2653 -178.154 -94.2649 -99.5724 GPRESSURE: 4060400 -20.6503 -206.377 -109.56 -137.079 -56.178 -64.2396 -221.369 -158.813 -64.8472 PRESSAVG: 4060400 -29.5955 26.4019 32.0474 26.402 -60.1787 -14.3654 32.0474 -14.3654 13.5399 GPRESSAVG: 4060400 -30.0516 26.9327 32.1846 26.0034 -60.7175 -13.557 34.2018 -15.5031 14.1624 TIMING: 4060400 CPU: 11758.9, 0.00295862/step Wall: 11758.9, 0.00295862/step, 0.7722 hours remaining, 211.500000 MB of memory in use. ENERGY: 4060400 710.3001 2156.3388 1966.9145 111.1970 -205719.9987 17591.6531 0.0000 0.0000 34186.4727 -148997.1225 298.5590 -183183.5953 -148897.7432 299.5067 -74.2790 -47.2252 557900.3981 -25.4115 -25.5356 PRESSURE: 4060600 -85.1956 -5.72967 -7.39655 -5.7301 57.7731 -80.9693 -7.39578 -80.9708 43.1462 GPRESSURE: 4060600 -75.164 -21.7948 -36.5617 -8.80348 81.0946 -88.133 81.7994 -59.1596 112.419 PRESSAVG: 4060600 -12.7155 -20.303 -32.8542 -20.303 25.9385 -22.591 -32.8542 -22.591 24.7886 GPRESSAVG: 4060600 -12.2776 -19.8871 -33.5235 -22.0953 25.3267 -21.7867 -32.4689 -22.7852 24.9302 TIMING: 4060600 CPU: 11759.5, 0.00286395/step Wall: 11759.5, 0.00286395/step, 0.747333 hours remaining, 211.703125 MB of memory in use. ENERGY: 4060600 776.3028 2127.9556 1945.6169 118.3207 -206453.8900 18051.7589 0.0000 0.0000 34257.6307 -149176.3043 299.1804 -183433.9351 -149077.6389 299.7863 5.2412 39.4499 557763.7995 12.6705 12.6598 PRESSURE: 4060800 -35.3836 -62.2715 -91.2555 -62.2719 -209.62 115.773 -91.2573 115.774 -17.6048 GPRESSURE: 4060800 15.1449 -80.7753 -70.9107 -18.5526 -246.801 104.14 -152.572 116.462 50.4483 PRESSAVG: 4060800 59.0132 -8.911 21.9915 -8.91102 -13.8176 -32.1345 21.9915 -32.1345 -22.0837 GPRESSAVG: 4060800 57.9216 -10.5825 21.4546 -7.91397 -12.3039 -33.6956 22.124 -33.0608 -22.7586 TIMING: 4060800 CPU: 11760.1, 0.00288995/step Wall: 11760.1, 0.00288995/step, 0.753957 hours remaining, 211.703125 MB of memory in use. ENERGY: 4060800 749.8196 2127.4322 1965.5577 124.0653 -206140.9200 17753.5920 0.0000 0.0000 34334.1899 -149086.2633 299.8490 -183420.4532 -148983.4789 299.6923 -87.5362 -60.4025 557420.7464 7.7040 7.6197 PRESSURE: 4061000 -69.7456 -77.1001 -88.8556 -77.1005 -89.9043 129.976 -88.855 129.976 140.593 GPRESSURE: 4061000 -43.3681 -45.6644 -118.29 -50.3493 -88.7324 170.078 -127.467 137.499 205.444 PRESSAVG: 4061000 43.396 -9.41695 -15.2167 -9.41697 -43.2565 60.2194 -15.2167 60.2193 44.6453 GPRESSAVG: 4061000 44.2651 -6.94719 -14.3207 -10.1584 -44.5489 60.8294 -16.3535 60.355 44.8466 TIMING: 4061000 CPU: 11760.7, 0.00288667/step Wall: 11760.7, 0.00288667/step, 0.752941 hours remaining, 211.703125 MB of memory in use. ENERGY: 4061000 748.3043 2154.3696 1994.0985 131.4703 -206141.7223 17892.0375 0.0000 0.0000 34267.9505 -148953.4914 299.2705 -183221.4419 -148860.3987 299.7573 -6.3523 24.4478 557653.8448 14.9283 14.8543 PRESSURE: 4061200 -151.432 63.2087 3.13315 63.207 155.742 -7.90014 3.13319 -7.90049 44.3276 GPRESSURE: 4061200 -136.028 15.1105 80.9842 140.774 229.805 -26.4751 -5.81204 1.41585 53.2699 PRESSAVG: 4061200 -54.8158 -20.928 -34.7571 -20.928 -47.616 31.9631 -34.7571 31.9633 68.3832 GPRESSAVG: 4061200 -55.7488 -22.4932 -34.8867 -20.2822 -45.9022 32.8432 -34.2272 33.2385 68.1175 TIMING: 4061200 CPU: 11761.2, 0.00286531/step Wall: 11761.2, 0.00286531/step, 0.747209 hours remaining, 211.703125 MB of memory in use. ENERGY: 4061200 764.8078 2097.4702 1952.4708 116.5816 -206361.6032 18029.7979 0.0000 0.0000 34197.1979 -149203.2770 298.6526 -183400.4749 -149108.3401 300.1480 16.2125 49.0156 557294.9347 -11.3495 -11.1778 PRESSURE: 4061400 41.767 -47.9252 46.4373 -47.9252 237.171 -9.88029 46.4357 -9.88004 -4.16121 GPRESSURE: 4061400 53.4807 -8.24369 66.1102 -43.7959 315.807 -43.8613 3.35461 -55.7062 -7.30869 PRESSAVG: 4061400 -65.5009 -22.0426 -19.4702 -22.0426 12.6171 36.8412 -19.4702 36.8412 92.0402 GPRESSAVG: 4061400 -64.4849 -23.0966 -18.0905 -22.1831 10.3125 36.3565 -21.4315 34.3168 92.8264 TIMING: 4061400 CPU: 11761.8, 0.00287409/step Wall: 11761.8, 0.00287409/step, 0.749339 hours remaining, 212.000000 MB of memory in use. ENERGY: 4061400 752.7966 2116.2221 1968.3573 109.4347 -206261.8735 17873.0277 0.0000 0.0000 34257.5263 -149184.5089 299.1795 -183442.0351 -149089.2909 298.9792 91.5923 120.6596 556689.0659 13.0521 12.8847 PRESSURE: 4061600 -5.27472 99.4815 30.407 99.4816 -179.55 -21.245 30.4058 -21.2452 -27.9375 GPRESSURE: 4061600 -17.6517 11.3087 -56.0976 95.8979 -143.385 -102.79 59.1893 -49.0638 44.9596 PRESSAVG: 4061600 -2.07772 -39.117 -57.4927 -39.117 9.16914 -35.3413 -57.4927 -35.3414 -58.2943 GPRESSAVG: 4061600 -3.3014 -40.3759 -58.6889 -37.3157 10.5314 -35.2659 -55.2088 -33.6597 -58.1639 TIMING: 4061600 CPU: 11762.4, 0.00287221/step Wall: 11762.4, 0.00287221/step, 0.74869 hours remaining, 212.000000 MB of memory in use. ENERGY: 4061600 733.2237 2093.4728 1957.9641 112.2144 -206080.2728 17681.3510 0.0000 0.0000 34072.7294 -149429.3175 297.5656 -183502.0469 -149335.1054 298.9763 -70.9207 -38.6925 556813.0169 -17.0676 -16.9780 PRESSURE: 4061800 -354.003 55.0697 -71.9657 55.0688 -55.2102 -165.949 -71.9663 -165.948 37.814 GPRESSURE: 4061800 -315.922 70.307 -45.3031 12.394 -54.5435 -65.0432 -54.8674 -188.474 98.7796 PRESSAVG: 4061800 -36.3389 -71.1691 -25.5599 -71.1691 27.1136 23.0598 -25.56 23.0599 -18.6987 GPRESSAVG: 4061800 -35.5444 -68.0261 -24.5575 -74.0359 27.0247 22.7194 -29.0963 22.7749 -19.6244 TIMING: 4061800 CPU: 11763, 0.00290323/step Wall: 11763, 0.00290323/step, 0.756613 hours remaining, 212.000000 MB of memory in use. ENERGY: 4061800 694.7296 2089.8286 1931.9649 126.2318 -205871.6266 17557.0412 0.0000 0.0000 34228.9838 -149242.8467 298.9302 -183471.8305 -149144.6738 299.5255 -123.7999 -90.5618 557938.9608 -9.3080 -9.3814 PRESSURE: 4062000 -23.9844 -86.8325 -70.2597 -86.8333 -296.773 -33.5199 -70.2602 -33.5202 169.941 GPRESSURE: 4062000 6.07468 -66.8304 -68.9673 -91.5867 -215.774 -143.565 -172.623 -67.1111 148.683 PRESSAVG: 4062000 -84.9715 -24.95 -19.9359 -24.95 40.1433 -47.6798 -19.9358 -47.6797 14.8783 GPRESSAVG: 4062000 -84.0684 -25.0212 -21.0061 -23.3487 38.2516 -46.7574 -19.5766 -48.8265 15.6567 TIMING: 4062000 CPU: 11763.5, 0.00290139/step Wall: 11763.5, 0.00290139/step, 0.755973 hours remaining, 212.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4062000 744.5294 2060.5685 1929.4873 110.2099 -206139.6951 17720.7678 0.0000 0.0000 34322.1991 -149251.9330 299.7443 -183574.1321 -149147.7438 299.5118 -50.2721 -20.3387 558027.5932 -9.9833 -10.0534 PRESSURE: 4062200 -52.2064 -6.48261 -128.907 -6.48176 245.113 -50.1984 -128.906 -50.1982 -297.198 GPRESSURE: 4062200 11.6052 -24.981 -23.0427 -30.8687 230.015 -34.4088 -112.331 -53.3101 -248.744 PRESSAVG: 4062200 -29.576 -21.6589 -2.66932 -21.6589 56.7011 -1.21436 -2.66927 -1.21437 24.1637 GPRESSAVG: 4062200 -30.9154 -20.1197 -3.22867 -23.4627 57.4605 -2.56554 -2.58684 1.09536 24.5003 TIMING: 4062200 CPU: 11764.1, 0.00286805/step Wall: 11764.1, 0.00286805/step, 0.747126 hours remaining, 212.000000 MB of memory in use. ENERGY: 4062200 713.7634 2124.2776 1946.2778 106.4544 -206517.6957 17847.4649 0.0000 0.0000 34429.0649 -149350.3928 300.6776 -183779.4577 -149252.4304 299.3265 -34.7637 -2.3744 556015.4697 17.0963 17.0152 PRESSURE: 4062400 -143.14 -63.5722 -81.5983 -63.5708 -28.9934 141.904 -81.598 141.902 -32.9051 GPRESSURE: 4062400 -139.615 -63.514 -185.894 -53.7637 14.6429 150.333 -41.1397 117.634 18.2945 PRESSAVG: 4062400 27.7595 -57.877 -22.7621 -57.877 29.63 -12.23 -22.7621 -12.2299 -14.0449 GPRESSAVG: 4062400 28.2078 -59.7367 -21.5527 -57.3918 29.7423 -9.41756 -24.2821 -15.3202 -14.1327 TIMING: 4062400 CPU: 11764.7, 0.00288327/step Wall: 11764.7, 0.00288327/step, 0.750932 hours remaining, 212.000000 MB of memory in use. ENERGY: 4062400 733.2443 2068.6475 1959.7464 131.1846 -206198.1033 17603.7776 0.0000 0.0000 34315.4727 -149386.0303 299.6856 -183701.5030 -149282.1636 299.0284 -68.3463 -35.5592 555660.1818 14.4482 14.6058 PRESSURE: 4062600 -339.097 31.6551 14.7303 31.6568 18.2335 -49.8415 14.7302 -49.8424 -122.392 GPRESSURE: 4062600 -296.799 77.9471 21.8351 26.9478 5.27697 -90.9262 18.9662 -69.9249 -43.178 PRESSAVG: 4062600 16.658 -43.8112 20.0054 -43.8111 -12.9941 -6.28719 20.0054 -6.28717 -12.009 GPRESSAVG: 4062600 15.7192 -45.1056 18.6787 -41.56 -12.8944 -7.6217 23.8068 -4.98587 -11.3111 TIMING: 4062600 CPU: 11765.3, 0.00287782/step Wall: 11765.3, 0.00287782/step, 0.749353 hours remaining, 212.000000 MB of memory in use. ENERGY: 4062600 724.3752 2071.5551 1943.1928 112.4090 -206049.6933 17524.3449 0.0000 0.0000 34312.8478 -149360.9685 299.6626 -183673.8163 -149266.0858 298.4233 -147.7519 -111.5665 557415.4510 -2.7817 -2.8288 PRESSURE: 4062800 -91.8743 145.9 -4.51546 145.9 -176.823 88.0122 -4.5149 88.0111 -119.543 GPRESSURE: 4062800 -46.7129 169.894 -52.1395 111.646 -124.325 50.4914 -97.6317 158.434 -111.561 PRESSAVG: 4062800 37.0304 -15.5249 27.1221 -15.5249 -2.52068 -35.3009 27.1221 -35.301 -3.18431 GPRESSAVG: 4062800 36.4999 -14.5661 26.8473 -13.5105 -1.21078 -37.2191 26.9987 -34.5046 -4.47134 TIMING: 4062800 CPU: 11765.8, 0.00287347/step Wall: 11765.8, 0.00287347/step, 0.74806 hours remaining, 212.000000 MB of memory in use. ENERGY: 4062800 763.0278 2027.3162 1954.0948 103.4689 -206107.2706 17610.6810 0.0000 0.0000 34348.9565 -149299.7253 299.9780 -183648.6818 -149202.9978 298.6865 -129.4134 -94.1995 557157.6193 10.4418 10.2726 PRESSURE: 4063000 77.5333 -37.4075 173.624 -37.4087 168.831 105.326 173.625 105.327 53.0884 GPRESSURE: 4063000 135.07 -38.268 164.719 -46.7425 158.61 86.009 168.345 118.888 109.317 PRESSAVG: 4063000 40.0732 -22.5816 55.2911 -22.5816 10.1467 1.29593 55.2911 1.29599 -39.9362 GPRESSAVG: 4063000 40.1393 -22.3731 54.0943 -24.3775 9.82925 3.88946 54.6035 -1.38841 -39.9934 TIMING: 4063000 CPU: 11766.4, 0.00287522/step Wall: 11766.4, 0.00287522/step, 0.748355 hours remaining, 212.000000 MB of memory in use. ENERGY: 4063000 729.4179 2108.1758 1945.9824 103.9322 -206190.0360 17822.4882 0.0000 0.0000 34260.4832 -149219.5562 299.2053 -183480.0394 -149126.8399 299.1840 99.8174 134.3324 555630.1427 3.4279 3.3251 PRESSURE: 4063200 117.013 120.178 -95.9745 120.179 121.785 -254.414 -95.974 -254.413 -117.779 GPRESSURE: 4063200 199.794 49.6532 -157.432 203.31 78.4185 -207.193 -43.6853 -281.1 -68.2879 PRESSAVG: 4063200 -55.3063 -27.1857 -24.1784 -27.1857 55.0508 -40.1767 -24.1784 -40.1767 -26.7628 GPRESSAVG: 4063200 -53.6308 -28.5511 -20.2583 -28.1119 53.199 -40.376 -25.5699 -39.7286 -26.7448 TIMING: 4063200 CPU: 11767, 0.00288772/step Wall: 11767, 0.00288772/step, 0.75145 hours remaining, 212.000000 MB of memory in use. ENERGY: 4063200 748.9872 2109.9783 1961.7442 109.0818 -206129.5574 17713.0415 0.0000 0.0000 34352.7227 -149134.0018 300.0109 -183486.7246 -149033.7484 299.6423 40.3399 69.9748 555978.3125 -9.0061 -9.0589 PRESSURE: 4063400 -174.542 49.8335 -130.33 49.8331 -182.359 -75.6088 -130.329 -75.6071 58.9587 GPRESSURE: 4063400 -120.676 31.5131 -59.4258 53.2918 -177.356 -45.6999 -136.251 -98.4823 94.7861 PRESSAVG: 4063400 39.3173 3.35613 -0.575478 3.35606 -47.4934 -73.6477 -0.575498 -73.6476 33.5058 GPRESSAVG: 4063400 38.172 4.35043 -2.24467 4.5137 -47.4732 -74.0312 0.162782 -73.323 33.9778 TIMING: 4063400 CPU: 11767.6, 0.0028942/step Wall: 11767.6, 0.0028942/step, 0.752974 hours remaining, 212.000000 MB of memory in use. ENERGY: 4063400 719.6226 2046.4499 1978.2721 122.2377 -206116.2391 17703.6571 0.0000 0.0000 34264.8536 -149281.1460 299.2435 -183545.9996 -149180.4948 299.1820 -99.3143 -67.7488 557933.9792 8.4432 8.2255 PRESSURE: 4063600 75.3468 69.1109 -68.3437 69.1107 -183.541 59.4476 -68.3448 59.4461 92.6888 GPRESSURE: 4063600 98.635 33.6591 -48.9778 116.682 -119.913 90.7054 -56.9928 40.2185 97.3567 PRESSAVG: 4063600 -18.5673 -6.09296 -7.12564 -6.093 -14.4934 -9.61871 -7.12566 -9.61858 58.5591 GPRESSAVG: 4063600 -18.3271 -9.14563 -7.50052 -5.72858 -14.8357 -9.84867 -8.52108 -8.48761 58.5616 TIMING: 4063600 CPU: 11768.2, 0.00288959/step Wall: 11768.2, 0.00288959/step, 0.751614 hours remaining, 212.000000 MB of memory in use. ENERGY: 4063600 748.8787 2106.0400 1972.5305 108.5958 -205936.0851 17811.0392 0.0000 0.0000 34073.8878 -149115.1131 297.5757 -183189.0008 -149016.4667 299.3151 -5.1683 25.3594 558321.9772 8.4995 8.4663 PRESSURE: 4063800 151.166 -25.1901 53.4224 -25.1896 -64.8812 -115.635 53.4225 -115.635 83.4357 GPRESSURE: 4063800 184.561 -27.4052 94.8733 13.1712 -26.6454 -56.3301 32.203 -211.037 107.101 PRESSAVG: 4063800 -75.1685 -36.5639 17.5924 -36.5638 -0.805723 21.2615 17.5924 21.2615 60.3785 GPRESSAVG: 4063800 -75.106 -34.2228 18.9991 -35.4536 0.804803 23.1682 17.2349 20.8501 58.6991 TIMING: 4063800 CPU: 11768.7, 0.00291263/step Wall: 11768.7, 0.00291263/step, 0.757446 hours remaining, 212.000000 MB of memory in use. ENERGY: 4063800 726.1903 2079.8499 1956.0193 115.7870 -206103.2532 17826.1845 0.0000 0.0000 34225.1831 -149174.0392 298.8970 -183399.2222 -149077.8994 299.6072 56.5736 88.3390 556576.7074 -5.1986 -5.2007 PRESSURE: 4064000 -47.352 110.697 -55.5859 110.697 203.586 39.1795 -55.5868 39.1787 -207.364 GPRESSURE: 4064000 -26.9147 154.144 -54.3101 126.347 235.718 65.2494 -91.4816 47.924 -162.409 PRESSAVG: 4064000 -55.9379 58.5571 0.834401 58.5571 34.4962 -37.7658 0.834349 -37.7657 -13.2572 GPRESSAVG: 4064000 -55.2644 59.3403 0.109965 56.5559 34.0366 -37.575 2.42733 -37.9702 -12.6826 TIMING: 4064000 CPU: 11769.3, 0.00288438/step Wall: 11769.3, 0.00288438/step, 0.749939 hours remaining, 212.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4064000 764.5928 2054.3131 1978.9738 107.5962 -206306.7604 17932.1514 0.0000 0.0000 34317.0524 -149152.0807 299.6994 -183469.1331 -149059.6796 299.2375 -17.0430 15.4647 558627.8070 -11.5663 -11.3035 PRESSURE: 4064200 -132.678 120.366 -214.348 120.366 -61.9881 -36.9046 -214.349 -36.9038 -296.557 GPRESSURE: 4064200 -141.942 141.704 -178.468 150.43 -49.9848 -111.66 -179.212 -81.2383 -205.771 PRESSAVG: 4064200 15.3702 14.5393 27.6965 14.5392 41.4992 -56.3883 27.6965 -56.3883 -16.0592 GPRESSAVG: 4064200 15.2768 14.6309 28.3535 12.7915 40.6643 -57.2827 25.1177 -55.8286 -15.0633 TIMING: 4064200 CPU: 11769.9, 0.00286907/step Wall: 11769.9, 0.00286907/step, 0.745799 hours remaining, 212.000000 MB of memory in use. ENERGY: 4064200 801.1296 2063.0961 1978.7494 127.7598 -206379.0833 17777.5848 0.0000 0.0000 34380.5721 -149250.1916 300.2541 -183630.7637 -149151.0891 299.2908 -163.7412 -132.5660 557296.2911 13.6034 13.6259 LDB: ============= START OF LOAD BALANCING ============== 11773.3 LDB: ============== END OF LOAD BALANCING =============== 11773.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11773.3 LDB: ============= START OF LOAD BALANCING ============== 11773.6 LDB: Largest compute 4773 load 0.023731 is 20.1% of average load 0.118018 LDB: Average compute 0.001724 is 1.5% of average load 0.118018 LDB: TIME 11773.6 LOAD: AVG 0.118018 MAX 0.180897 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 11773.6 LOAD: AVG 0.118018 MAX 0.180897 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 11773.6 LOAD: AVG 0.118018 MAX 0.180897 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: ============== END OF LOAD BALANCING =============== 11773.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11773.6 PRESSURE: 4064400 35.2745 42.9898 -7.30518 42.9905 -173.778 -18.7937 -7.30469 -18.794 185.236 GPRESSURE: 4064400 97.2375 114.716 53.8167 39.4702 -202.603 -56.4278 -19.2838 -34.4481 248.298 PRESSAVG: 4064400 28.7349 51.2719 -16.824 51.272 -16.7068 -65.1905 -16.824 -65.1904 -1.37036 GPRESSAVG: 4064400 27.9969 50.4815 -17.6508 55.6399 -16.3886 -66.3031 -13.1598 -63.7799 -0.60948 TIMING: 4064400 CPU: 11770.5, 0.00294157/step Wall: 11770.5, 0.00294157/step, 0.764481 hours remaining, 210.660156 MB of memory in use. ENERGY: 4064400 758.1258 2146.0834 1983.5127 106.3915 -206462.9156 17864.6059 0.0000 0.0000 34529.0088 -149075.1877 301.5504 -183604.1965 -148972.8787 299.7540 15.5774 47.6442 557802.3938 3.5526 3.6663 PRESSURE: 4064600 142.934 76.2686 132.696 76.2692 -40.7498 156.024 132.696 156.024 216.392 GPRESSURE: 4064600 215.759 -14.7113 129.249 66.7263 -26.2826 49.4107 158.201 262.466 217.917 PRESSAVG: 4064600 39.009 -22.2424 54.4448 -22.2424 -16.3915 18.2032 54.4446 18.2032 13.218 GPRESSAVG: 4064600 39.0037 -20.7355 54.3171 -26.6623 -15.8225 17.5588 53.4737 19.3881 12.1052 TIMING: 4064600 CPU: 11771, 0.00285825/step Wall: 11771, 0.00285825/step, 0.742669 hours remaining, 210.863281 MB of memory in use. ENERGY: 4064600 735.0161 2068.9068 1942.4450 108.2664 -206302.4017 17820.7302 0.0000 0.0000 34163.2867 -149463.7505 298.3565 -183627.0372 -149365.0151 298.6330 106.1922 135.7979 555829.8862 11.9452 11.7622 PRESSURE: 4064800 -286.205 -183.04 210.538 -183.039 -321.517 4.06963 210.537 4.06945 -317.7 GPRESSURE: 4064800 -266.874 -178.826 193.894 -190.959 -305.85 -103.731 223.81 55.8773 -245.472 PRESSAVG: 4064800 -15.2114 -16.3914 79.1068 -16.3914 49.8656 -4.5228 79.1068 -4.5226 -37.635 GPRESSAVG: 4064800 -14.7686 -16.6596 80.8897 -15.0332 48.1355 -4.67042 76.9626 -6.18787 -36.3612 TIMING: 4064800 CPU: 11771.6, 0.00286461/step Wall: 11771.6, 0.00286461/step, 0.744161 hours remaining, 210.863281 MB of memory in use. ENERGY: 4064800 760.8354 2066.8342 1943.3670 110.8080 -205812.7456 17429.2456 0.0000 0.0000 33976.6301 -149525.0254 296.7264 -183501.6555 -149429.0089 297.8335 -308.4738 -272.7319 556573.6002 -0.9936 -0.9981 PRESSURE: 4065000 -250.92 72.3802 -108.34 72.3804 -217.329 146.024 -108.34 146.024 21.3987 GPRESSURE: 4065000 -191.634 86.9797 -90.8305 72.9976 -178.845 22.7183 -124.664 177.121 19.3613 PRESSAVG: 4065000 -2.20066 52.3271 40.6678 52.3271 23.8054 32.8157 40.6678 32.8155 -25.1655 GPRESSAVG: 4065000 -2.87942 51.2483 36.6882 52.3006 25.2384 31.7747 43.7155 32.4485 -26.5285 TIMING: 4065000 CPU: 11772.2, 0.00285804/step Wall: 11772.2, 0.00285804/step, 0.742297 hours remaining, 210.863281 MB of memory in use. ENERGY: 4065000 734.3426 2107.4894 1962.0385 124.0809 -206076.4257 17526.9903 0.0000 0.0000 34041.6362 -149579.8476 297.2941 -183621.4839 -149478.9733 298.8459 -148.9501 -117.0395 555920.4310 -1.1869 -1.3898 PRESSURE: 4065200 124.2 17.6724 -15.1319 17.6739 20.7049 -108.3 -15.1315 -108.301 40.9578 GPRESSURE: 4065200 142.648 -14.1947 13.7001 39.7296 123.707 -146.591 -6.87348 -56.9468 11.9164 PRESSAVG: 4065200 72.1008 36.9269 1.03138 36.9269 -45.2238 -43.7545 1.03147 -43.7544 -23.2213 GPRESSAVG: 4065200 72.8648 37.4829 2.6662 36.6142 -45.9556 -42.3242 0.0756657 -44.0001 -23.2153 TIMING: 4065200 CPU: 11772.8, 0.00286437/step Wall: 11772.8, 0.00286437/step, 0.74378 hours remaining, 210.863281 MB of memory in use. ENERGY: 4065200 747.4287 2091.2118 1941.8600 123.6911 -206787.7632 18049.6561 0.0000 0.0000 34177.5288 -149656.3867 298.4809 -183833.9155 -149556.6695 297.7930 61.9542 92.7570 556616.7890 1.2185 1.2313 PRESSURE: 4065400 119.773 31.1224 -88.8151 31.1215 30.855 -154.693 -88.8152 -154.693 286.02 GPRESSURE: 4065400 184.899 12.5684 -95.5101 -49.6273 21.2699 30.6327 -86.5821 -235.197 334.519 PRESSAVG: 4065400 10.4449 21.9943 35.8345 21.9943 -43.4274 8.10865 35.8344 8.10871 0.835047 GPRESSAVG: 4065400 9.33637 23.7691 36.6853 19.9322 -43.0689 10.2912 34.8218 6.47224 1.09911 TIMING: 4065400 CPU: 11773.3, 0.00286992/step Wall: 11773.3, 0.00286992/step, 0.745063 hours remaining, 210.863281 MB of memory in use. ENERGY: 4065400 721.1537 2033.2574 1957.3075 107.5106 -206612.5452 17976.8256 0.0000 0.0000 34128.8788 -149687.6117 298.0560 -183816.4905 -149594.0772 297.8920 145.5492 180.2291 556936.8054 -10.7158 -10.8778 PRESSURE: 4065600 79.7088 -50.4511 6.0694 -50.451 -206.896 -5.16041 6.06875 -5.15866 -62.0342 GPRESSURE: 4065600 89.5182 -97.8946 13.0866 -23.8869 -128.823 -78.9156 -74.6989 31.2095 -39.255 PRESSAVG: 4065600 72.4727 41.587 35.302 41.5869 25.3597 -11.9151 35.302 -11.9152 -80.0422 GPRESSAVG: 4065600 72.7348 41.3604 34.2763 42.8172 26.0542 -13.9671 36.3439 -11.6884 -81.3379 TIMING: 4065600 CPU: 11773.9, 0.00286803/step Wall: 11773.9, 0.00286803/step, 0.744413 hours remaining, 210.863281 MB of memory in use. ENERGY: 4065600 740.9178 2103.0044 1972.9435 114.7630 -206654.4287 17855.3440 0.0000 0.0000 34081.9615 -149785.4946 297.6462 -183867.4560 -149695.8626 297.4855 -63.0737 -26.1868 555893.0490 5.9301 5.8170 PRESSURE: 4065800 13.219 -51.5702 25.9863 -51.571 150.765 -5.69752 25.9866 -5.69665 -207.743 GPRESSURE: 4065800 -8.87914 45.2421 104.839 -119.235 247.24 -53.7252 -46.0564 -116.697 -184.448 PRESSAVG: 4065800 20.3263 45.7228 -9.48286 45.7228 48.0814 -42.9874 -9.48286 -42.9873 -41.6595 GPRESSAVG: 4065800 21.0641 44.6566 -7.65015 45.3145 46.6899 -43.358 -10.4068 -41.5854 -41.2321 TIMING: 4065800 CPU: 11774.5, 0.00284799/step Wall: 11774.5, 0.00284799/step, 0.739054 hours remaining, 210.863281 MB of memory in use. ENERGY: 4065800 690.8254 2106.7478 1945.7495 123.4578 -206623.0525 17868.2053 0.0000 0.0000 34104.7433 -149783.3233 297.8452 -183888.0666 -149687.7850 297.6455 -14.5863 17.9710 557110.7136 8.9161 8.8406 PRESSURE: 4066000 15.3835 -346.263 -97.548 -346.263 79.3731 -0.94208 -97.5491 -0.941921 127.763 GPRESSURE: 4066000 102.264 -325.96 -85.6839 -330.14 73.1368 -21.6854 -115.647 -42.3783 145.482 PRESSAVG: 4066000 4.68229 -6.98036 -10.2749 -6.98033 44.3616 -12.2012 -10.2749 -12.2013 -49.2691 GPRESSAVG: 4066000 2.60619 -7.42595 -11.1577 -5.62629 45.3907 -11.9412 -9.50443 -12.4336 -48.6466 TIMING: 4066000 CPU: 11775, 0.00285337/step Wall: 11775, 0.00285337/step, 0.74029 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4066000 703.4180 2070.7207 1916.0225 109.7285 -206610.6491 17945.0999 0.0000 0.0000 34169.3656 -149696.2940 298.4096 -183865.6595 -149598.0357 297.8968 74.1731 106.9608 556205.4554 -0.0751 -0.2166 PRESSURE: 4066200 -123.844 -113.387 21.5003 -113.385 -44.0393 -92.3135 21.4995 -92.3136 -80.7138 GPRESSURE: 4066200 -32.3041 -88.9886 -61.4323 -91.8487 -73.0458 -79.6908 25.2 -106.63 -38.3425 PRESSAVG: 4066200 38.3651 13.5134 22.5947 13.5133 -24.0666 -25.4062 22.5946 -25.4063 2.06263 GPRESSAVG: 4066200 40.3222 13.9419 22.1109 14.2702 -24.0026 -27.7405 23.4987 -24.7291 0.840827 TIMING: 4066200 CPU: 11775.6, 0.00285285/step Wall: 11775.6, 0.00285285/step, 0.739998 hours remaining, 210.863281 MB of memory in use. ENERGY: 4066200 740.4312 2119.2886 1956.4166 110.9760 -206383.3997 17758.4154 0.0000 0.0000 34042.7883 -149655.0837 297.3041 -183697.8719 -149555.4336 298.2792 -82.8656 -47.8975 557060.6998 5.4537 5.7201 PRESSURE: 4066400 -15.027 -67.0534 -151.343 -67.0535 25.6959 -49.7603 -151.345 -49.7608 -258.257 GPRESSURE: 4066400 53.232 -89.9638 -219.34 -124.114 2.29925 -118.614 -60.5327 -34.9336 -197.107 PRESSAVG: 4066400 -10.5164 29.7262 31.9039 29.7263 -10.6846 -7.38163 31.904 -7.38157 46.6591 GPRESSAVG: 4066400 -11.7718 31.2035 32.3791 29.1184 -11.3834 -4.69734 30.3419 -9.21943 48.5777 TIMING: 4066400 CPU: 11776.2, 0.00284704/step Wall: 11776.2, 0.00284704/step, 0.738334 hours remaining, 210.863281 MB of memory in use. ENERGY: 4066400 758.6589 2095.4116 1967.9575 115.2606 -206826.7930 17977.8747 0.0000 0.0000 34101.2461 -149810.3836 297.8147 -183911.6297 -149721.5584 298.7312 -82.5294 -47.1919 557389.8693 8.4861 8.4742 PRESSURE: 4066600 -100.159 141.873 -82.8266 141.873 86.1763 88.5773 -82.825 88.5762 -76.1092 GPRESSURE: 4066600 -55.9412 86.2569 -90.2793 148.912 148.43 93.1956 -80.1874 116.663 -91.9271 PRESSAVG: 4066600 -5.20804 65.9399 -80.9875 65.94 -10.3287 35.6923 -80.9875 35.6922 -17.0292 GPRESSAVG: 4066600 -3.73096 64.4392 -80.5573 67.3836 -11.0533 36.3111 -81.0236 38.6412 -18.1007 TIMING: 4066600 CPU: 11776.8, 0.00284868/step Wall: 11776.8, 0.00284868/step, 0.738599 hours remaining, 210.863281 MB of memory in use. ENERGY: 4066600 748.7191 2104.8502 1949.4358 108.7403 -206783.2801 18020.5941 0.0000 0.0000 34045.0359 -149805.9047 297.3238 -183850.9407 -149702.5979 298.0713 -30.0308 0.1873 557520.1543 -10.8553 -10.9616 PRESSURE: 4066800 148.332 176.799 -91.7483 176.799 -40.713 40.2556 -91.75 40.2554 307.226 GPRESSURE: 4066800 174.347 130.823 -94.2675 165.346 9.43592 38.252 -24.5458 72.2449 326.601 PRESSAVG: 4066800 -63.8429 81.1987 -46.2504 81.1986 16.0959 39.942 -46.2505 39.9419 68.3525 GPRESSAVG: 4066800 -64.3092 80.8163 -46.8801 80.5204 17.6922 40.4637 -43.8243 38.455 67.8751 TIMING: 4066800 CPU: 11777.3, 0.00286278/step Wall: 11777.3, 0.00286278/step, 0.742095 hours remaining, 210.863281 MB of memory in use. ENERGY: 4066800 691.6428 2087.2946 1930.4407 112.5623 -206597.0204 18082.4932 0.0000 0.0000 34053.6618 -149638.9250 297.3991 -183692.5868 -149539.1312 297.8664 138.2815 170.1282 557587.1829 6.8685 7.0860 PRESSURE: 4067000 -62.3895 33.4584 167.631 33.4578 -27.3548 65.4 167.631 65.3994 -56.7266 GPRESSURE: 4067000 -77.6474 -31.0213 163.011 187.429 30.8692 22.9254 94.661 66.5997 -10.8707 PRESSAVG: 4067000 10.9591 10.1631 -9.0333 10.163 -17.9274 16.382 -9.03323 16.3819 -40.5215 GPRESSAVG: 4067000 9.96278 9.19155 -8.95447 10.5458 -17.722 13.993 -10.9598 16.1538 -39.7672 TIMING: 4067000 CPU: 11777.9, 0.00286906/step Wall: 11777.9, 0.00286906/step, 0.743566 hours remaining, 210.863281 MB of memory in use. ENERGY: 4067000 734.5332 2110.5406 1949.0563 119.5746 -206346.2276 17663.3620 0.0000 0.0000 34224.1485 -149545.0123 298.8880 -183769.1608 -149449.7690 297.9834 -48.8236 -19.2163 556346.2970 -15.8299 -15.8421 PRESSURE: 4067200 86.7864 -26.5556 -3.72751 -26.5562 -115.083 145.803 -3.72836 145.802 160.982 GPRESSURE: 4067200 83.1344 -27.668 37.1388 23.6573 -39.1839 104.092 -37.4507 106.514 192.53 PRESSAVG: 4067200 -24.1563 -29.1157 33.6353 -29.1158 7.85912 6.82664 33.6354 6.82663 7.04128 GPRESSAVG: 4067200 -22.4059 -25.4386 34.9321 -29.4129 6.99574 7.82516 33.5925 5.70855 6.04641 TIMING: 4067200 CPU: 11778.5, 0.00287858/step Wall: 11778.5, 0.00287858/step, 0.745872 hours remaining, 210.863281 MB of memory in use. ENERGY: 4067200 738.5545 2135.4258 1946.8180 101.7507 -206228.3553 17830.3673 0.0000 0.0000 33835.5753 -149639.8637 295.4945 -183475.4389 -149546.7817 298.0543 44.2286 78.8270 556312.3461 -3.0853 -3.1213 PRESSURE: 4067400 -364.202 -5.97418 136.637 -5.97452 -28.9026 -173.181 136.636 -173.18 48.9753 GPRESSURE: 4067400 -350.605 30.4694 174.026 33.8214 23.5127 -42.2865 71.4488 -202.589 76.0238 PRESSAVG: 4067400 -2.41354 -9.80131 -63.1608 -9.80129 -20.3678 -42.3101 -63.1609 -42.3101 32.2562 GPRESSAVG: 4067400 -3.76115 -12.297 -65.1317 -9.08446 -19.6976 -42.6382 -62.847 -42.2898 32.8567 TIMING: 4067400 CPU: 11779.1, 0.00287554/step Wall: 11779.1, 0.00287554/step, 0.744924 hours remaining, 210.863281 MB of memory in use. ENERGY: 4067400 752.5013 2071.2512 1944.4957 119.8231 -206285.5482 17674.8228 0.0000 0.0000 34131.6466 -149591.0075 298.0802 -183722.6541 -149500.6086 297.9513 -114.7097 -83.6896 555512.5741 3.1583 3.1326 PRESSURE: 4067600 15.4909 11.5419 175.324 11.5417 54.3175 -188.522 175.323 -188.523 -322.384 GPRESSURE: 4067600 -6.32564 0.52553 203.654 -21.3832 139.166 -185.044 101.013 -160.061 -283.35 PRESSAVG: 4067600 -33.1281 -41.2014 52.1153 -41.2013 52.2944 -32.4802 52.1153 -32.4802 -0.494408 GPRESSAVG: 4067600 -33.4706 -41.2067 53.1608 -40.7648 51.2054 -33.5081 51.7766 -32.9443 1.24297 TIMING: 4067600 CPU: 11779.6, 0.00286426/step Wall: 11779.6, 0.00286426/step, 0.741844 hours remaining, 210.863281 MB of memory in use. ENERGY: 4067600 706.7071 2031.8746 1963.2910 120.2696 -206582.4214 17685.7448 0.0000 0.0000 34287.1534 -149787.3809 299.4382 -184074.5343 -149687.8419 298.1297 -84.1920 -50.1699 555784.7825 6.2240 6.3259 PRESSURE: 4067800 -177.201 -193.036 18.6449 -193.037 -172.266 -37.3016 18.6449 -37.3001 -173.085 GPRESSURE: 4067800 -98.0876 -92.576 14.3007 -185.518 -158.493 -52.7853 24.7483 44.7447 -156.112 PRESSAVG: 4067800 16.6169 5.94973 33.6359 5.94967 34.403 11.1002 33.6359 11.1002 -13.4823 GPRESSAVG: 4067800 17.7947 6.35779 30.8134 7.2158 34.6431 13.287 35.543 12.3763 -15.2293 TIMING: 4067800 CPU: 11780.2, 0.00286746/step Wall: 11780.2, 0.00286746/step, 0.742512 hours remaining, 210.863281 MB of memory in use. ENERGY: 4067800 774.7721 2089.5954 1959.4403 130.7361 -206638.5431 17760.1356 0.0000 0.0000 34273.3724 -149650.4912 299.3179 -183923.8636 -149555.0721 297.9115 -174.1843 -137.5641 556302.9826 12.5125 12.4028 PRESSURE: 4068000 -146.883 6.1433 -90.4552 6.14232 -3.86566 92.7172 -90.4554 92.7169 -134.752 GPRESSURE: 4068000 -65.9749 23.4967 -104.915 15.9358 39.6045 21.2247 -56.5029 40.9404 -141.475 PRESSAVG: 4068000 -17.9839 -0.631337 0.880292 -0.631384 39.8174 -29.3041 0.880284 -29.3041 -21.322 GPRESSAVG: 4068000 -18.1795 -1.71698 2.33424 -1.50732 40.0838 -31.2684 -0.679218 -30.5114 -21.5099 TIMING: 4068000 CPU: 11780.8, 0.00289636/step Wall: 11780.8, 0.00289636/step, 0.749837 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4068000 747.1308 2087.0881 1934.5544 115.0323 -206536.3124 17795.9263 0.0000 0.0000 34225.9993 -149630.5812 298.9042 -183856.5805 -149536.5697 297.9947 -95.1669 -55.9486 557241.8213 0.1705 0.1315 PRESSURE: 4068200 -46.8217 -19.5206 -47.0337 -19.52 -45.6385 83.5167 -47.0338 83.517 65.781 GPRESSURE: 4068200 -54.1009 -14.9368 3.24274 -87.4739 -13.0046 97.3387 -47.7732 157.162 128.374 PRESSAVG: 4068200 -28.9431 6.72723 -42.139 6.72711 28.2796 26.217 -42.1391 26.2171 12.0639 GPRESSAVG: 4068200 -28.6422 7.68945 -42.0677 5.58496 27.0893 25.5191 -41.3682 27.9056 12.8549 TIMING: 4068200 CPU: 11781.4, 0.00285265/step Wall: 11781.4, 0.00285265/step, 0.738362 hours remaining, 210.863281 MB of memory in use. ENERGY: 4068200 757.3645 2154.7121 1936.5106 105.2282 -206519.6516 17950.9950 0.0000 0.0000 34117.4747 -149497.3665 297.9564 -183614.8412 -149402.5291 299.1386 -8.8931 20.4229 557976.6175 3.8001 3.7673 LDB: ============= START OF LOAD BALANCING ============== 11784.7 LDB: ============== END OF LOAD BALANCING =============== 11784.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11784.7 LDB: ============= START OF LOAD BALANCING ============== 11785 LDB: Largest compute 4773 load 0.023041 is 19.5% of average load 0.118044 LDB: Average compute 0.001727 is 1.5% of average load 0.118044 LDB: TIME 11785 LOAD: AVG 0.118044 MAX 0.180318 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.637 MB LDB: TIME 11785 LOAD: AVG 0.118044 MAX 0.180318 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 11785 LOAD: AVG 0.118044 MAX 0.180318 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11785 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11785 PRESSURE: 4068400 49.5342 36.7252 79.7589 36.7246 -11.6963 -31.779 79.7586 -31.779 -266.796 GPRESSURE: 4068400 59.5047 36.0883 83.0183 99.5418 37.8198 8.38382 144.275 6.91592 -230.898 PRESSAVG: 4068400 6.96208 28.9862 42.3974 28.9863 -22.8526 78.8862 42.3973 78.8862 21.7031 GPRESSAVG: 4068400 7.43092 29.3912 42.3342 28.7438 -22.518 80.565 40.2797 77.1635 20.8604 TIMING: 4068400 CPU: 11781.9, 0.00292983/step Wall: 11781.9, 0.00292983/step, 0.758176 hours remaining, 210.917969 MB of memory in use. ENERGY: 4068400 757.8756 2070.5549 1925.8408 105.6747 -206056.8582 17743.8906 0.0000 0.0000 33972.3344 -149480.6872 296.6888 -183453.0216 -149383.5527 298.3553 -76.3194 -44.5245 558679.9013 1.9375 1.9244 PRESSURE: 4068600 97.5271 -123.833 -28.0186 -123.832 96.2704 72.807 -28.0186 72.808 197.142 GPRESSURE: 4068600 101.346 -105.535 49.9294 -178.59 103.678 39.1547 -68.3624 76.113 288.999 PRESSAVG: 4068600 61.7847 -8.6402 12.8166 -8.64021 35.6237 54.1452 12.8166 54.1452 -48.5987 GPRESSAVG: 4068600 61.2577 -7.78616 15.0796 -7.98266 35.8822 52.6744 13.552 54.2828 -48.7277 TIMING: 4068600 CPU: 11782.5, 0.0028853/step Wall: 11782.5, 0.0028853/step, 0.746492 hours remaining, 210.917969 MB of memory in use. ENERGY: 4068600 740.4206 2075.3300 1942.1544 115.0506 -206793.8977 18177.5933 0.0000 0.0000 34236.1712 -149507.1775 298.9930 -183743.3488 -149409.4005 298.9449 130.3133 164.6741 557266.5656 16.2699 16.1374 PRESSURE: 4068800 124.035 -116.269 -8.15411 -116.272 21.2415 173.679 -8.15567 173.679 165.475 GPRESSURE: 4068800 194.964 -49.2242 -106.13 -152.114 54.2279 218.512 76.4429 87.7232 159.865 PRESSAVG: 4068800 69.6007 -18.767 5.93455 -18.767 -44.6404 32.1766 5.93452 32.1767 -23.1117 GPRESSAVG: 4068800 69.4692 -19.059 4.76826 -18.4208 -43.7241 32.1697 7.92577 32.0456 -23.758 TIMING: 4068800 CPU: 11783.1, 0.00287833/step Wall: 11783.1, 0.00287833/step, 0.744527 hours remaining, 210.917969 MB of memory in use. ENERGY: 4068800 741.0007 2094.6601 1923.9736 111.8197 -206653.1035 18102.6932 0.0000 0.0000 34252.4022 -149426.5539 299.1347 -183678.9561 -149336.2808 298.2125 103.5838 136.3524 557669.7973 0.6162 0.6624 PRESSURE: 4069000 20.7095 45.6909 -91.4941 45.6896 152.826 -8.47528 -91.494 -8.47409 -60.9517 GPRESSURE: 4069000 40.1963 87.0374 -164.408 -24.8743 125.912 10.1177 -0.000521941 42.8851 22.3047 PRESSAVG: 4069000 42.0921 -10.6211 -28.4241 -10.6211 -41.1666 28.3919 -28.4241 28.392 -12.3331 GPRESSAVG: 4069000 41.6891 -9.03808 -27.6854 -12.3547 -42.2361 28.2767 -30.0985 28.442 -11.2969 TIMING: 4069000 CPU: 11783.7, 0.00287381/step Wall: 11783.7, 0.00287381/step, 0.743199 hours remaining, 210.917969 MB of memory in use. ENERGY: 4069000 726.8689 2146.1992 1933.4320 117.1951 -206568.5837 17864.2272 0.0000 0.0000 34415.9997 -149364.6616 300.5635 -183780.6613 -149275.2057 298.8872 37.5280 62.8043 557641.1334 -3.8026 -3.9479 PRESSURE: 4069200 -205.862 266.237 -135.389 266.237 -19.4012 103.574 -135.391 103.575 102.972 GPRESSURE: 4069200 -165.744 248.597 -139.034 226.887 32.8529 55.6312 -129.483 144.381 111.64 PRESSAVG: 4069200 25.5743 36.2976 -41.6638 36.2976 -21.9685 -8.08811 -41.6638 -8.08819 11.8356 GPRESSAVG: 4069200 25.1222 35.9523 -41.9442 36.3312 -21.8104 -8.15993 -42.7805 -6.43454 12.3362 TIMING: 4069200 CPU: 11784.2, 0.00287959/step Wall: 11784.2, 0.00287959/step, 0.744534 hours remaining, 211.175781 MB of memory in use. ENERGY: 4069200 778.7526 2048.4285 1923.9050 120.6188 -206072.6665 17662.2060 0.0000 0.0000 34152.4673 -149386.2883 298.2620 -183538.7556 -149289.1783 299.0022 -40.7638 -7.0837 556016.6404 5.1471 5.2160 PRESSURE: 4069400 -250.837 -44.4595 -70.3688 -44.4599 -78.8187 -250.079 -70.3679 -250.077 -156.095 GPRESSURE: 4069400 -243.94 33.0309 -83.0372 -56.813 -43.3656 -252.537 -65.0571 -243.426 -98.335 PRESSAVG: 4069400 -36.5513 -30.7035 -5.32938 -30.7035 -28.8004 -33.4079 -5.32927 -33.4079 80.3167 GPRESSAVG: 4069400 -35.482 -33.7517 -6.85836 -28.5186 -29.0693 -32.4838 -3.51516 -32.816 79.6895 TIMING: 4069400 CPU: 11784.8, 0.00287105/step Wall: 11784.8, 0.00287105/step, 0.742167 hours remaining, 211.175781 MB of memory in use. ENERGY: 4069400 746.7447 2117.8554 1964.3974 97.2044 -206014.0317 17407.8593 0.0000 0.0000 34258.8562 -149421.1143 299.1911 -183679.9705 -149321.9161 298.3521 -161.9168 -128.5468 556872.1986 4.9883 5.0461 PRESSURE: 4069600 7.25352 -124.597 -39.5095 -124.597 -43.6098 -61.6837 -39.5087 -61.6838 -150.48 GPRESSURE: 4069600 2.57473 -43.6598 -75.9092 -158.746 -14.3387 -53.0818 -50.4185 -48.6835 -66.0819 PRESSAVG: 4069600 51.7935 18.5255 -22.4517 18.5255 -82.0867 -30.1375 -22.4517 -30.1374 22.6339 GPRESSAVG: 4069600 52.1325 19.6883 -21.9485 18.0822 -82.0241 -32.0897 -22.9363 -31.3702 22.2033 TIMING: 4069600 CPU: 11785.4, 0.00288082/step Wall: 11785.4, 0.00288082/step, 0.744532 hours remaining, 211.175781 MB of memory in use. ENERGY: 4069600 808.2583 2075.2972 1933.2438 116.6857 -206448.5521 17914.8286 0.0000 0.0000 34263.4200 -149336.8185 299.2310 -183600.2385 -149240.5330 298.7202 -62.2788 -25.9486 559867.3567 -2.5531 -2.5628 PRESSURE: 4069800 188.34 -94.9721 120.085 -94.9717 -3.0638 4.85947 120.084 4.85879 109.619 GPRESSURE: 4069800 174.77 -113.995 117.006 -91.7805 69.3133 53.664 34.6716 8.53961 136.714 PRESSAVG: 4069800 11.679 -10.1588 44.8426 -10.1587 -23.3337 55.1864 44.8427 55.1864 -12.5758 GPRESSAVG: 4069800 11.5065 -8.18238 43.7039 -12.2478 -22.847 56.9905 43.6972 54.7988 -12.7597 TIMING: 4069800 CPU: 11786, 0.00288752/step Wall: 11786, 0.00288752/step, 0.746103 hours remaining, 211.175781 MB of memory in use. ENERGY: 4069800 768.1404 2076.5491 1932.3107 106.2551 -206437.5868 18014.3700 0.0000 0.0000 34113.9312 -149426.0304 297.9254 -183539.9616 -149328.9606 298.4229 98.2984 126.9324 557982.6166 -8.0768 -8.0334 PRESSURE: 4070000 76.9253 88.4261 -129.2 88.427 77.0536 32.9774 -129.2 32.977 -39.9753 GPRESSURE: 4070000 152.709 45.3122 -85.887 130.797 23.4723 23.2975 -199.966 111.789 24.9314 PRESSAVG: 4070000 -6.2531 -48.6093 13.3411 -48.6093 -6.08941 41.6272 13.3411 41.6272 6.99908 GPRESSAVG: 4070000 -7.38642 -50.34 15.1618 -48.1395 -5.84554 42.1954 14.6835 40.7273 7.39581 TIMING: 4070000 CPU: 11786.5, 0.00287051/step Wall: 11786.5, 0.00287051/step, 0.741549 hours remaining, 211.175781 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: 4070000 773.4876 2124.0491 1949.0419 113.4467 -206297.1568 17808.4328 0.0000 0.0000 34129.2032 -149399.4956 298.0588 -183528.6988 -149307.2436 298.4102 38.0012 67.0375 556693.0115 -1.7811 -1.9454 PRESSURE: 4070200 -179.919 140.18 43.6634 140.181 193.94 13.6642 43.6633 13.6625 -76.2675 GPRESSURE: 4070200 -161.66 140.299 18.9615 248.438 180.999 -2.36784 24.7763 61.2086 11.3944 PRESSAVG: 4070200 -18.0131 -21.8364 16.7001 -21.8365 66.5121 -50.5212 16.7002 -50.5212 -28.5002 GPRESSAVG: 4070200 -17.0284 -20.5292 15.4705 -21.5855 65.6555 -51.0962 15.3588 -49.0574 -28.8287 TIMING: 4070200 CPU: 11787.1, 0.00288207/step Wall: 11787.1, 0.00288207/step, 0.744376 hours remaining, 211.175781 MB of memory in use. ENERGY: 4070200 742.4256 2107.6926 1963.0114 101.5841 -206209.5843 17708.8110 0.0000 0.0000 34229.3990 -149356.6605 298.9339 -183586.0595 -149261.3297 299.0041 -20.7488 10.2447 556430.3856 6.6663 6.5995 PRESSURE: 4070400 -49.8103 85.3713 -19.3559 85.3707 -59.1663 -97.5705 -19.3567 -97.5698 -31.7543 GPRESSURE: 4070400 35.4412 58.3339 -9.58209 64.459 -33.8059 6.11974 26.8169 -142.571 -43.7694 PRESSAVG: 4070400 0.746698 -11.1624 -1.48269 -11.1623 43.0778 -64.9761 -1.48276 -64.9761 -14.1596 GPRESSAVG: 4070400 -0.894825 -13.8912 -1.55234 -9.38287 44.2768 -63.2874 -0.0180014 -64.8686 -13.0048 TIMING: 4070400 CPU: 11787.7, 0.00292215/step Wall: 11787.7, 0.00292215/step, 0.754564 hours remaining, 211.175781 MB of memory in use. ENERGY: 4070400 727.1566 2141.4622 1943.4247 115.3205 -206073.2806 17513.8612 0.0000 0.0000 34387.2778 -149244.7775 300.3127 -183632.0554 -149152.9397 299.0547 -46.9103 -14.0447 556007.9249 9.8883 10.1257 PRESSURE: 4070600 24.5222 -4.10985 -73.899 -4.11052 -141.789 -83.1495 -73.899 -83.1489 -199.601 GPRESSURE: 4070600 36.0021 1.79713 5.59654 -11.4304 -96.6646 -98.4068 -145.804 -54.9013 -159.41 PRESSAVG: 4070600 18.5395 -35.0423 -34.2669 -35.0424 -50.8181 -54.6409 -34.2668 -54.6408 -24.4229 GPRESSAVG: 4070600 19.4747 -34.0338 -32.3594 -36.0706 -49.9042 -55.1412 -35.3248 -58.0202 -25.6302 TIMING: 4070600 CPU: 11788.3, 0.00290287/step Wall: 11788.3, 0.00290287/step, 0.749424 hours remaining, 211.175781 MB of memory in use. ENERGY: 4070600 718.1584 2060.8237 1983.3593 117.6237 -206055.0161 17685.0473 0.0000 0.0000 34365.8683 -149124.1354 300.1257 -183490.0038 -149022.1120 299.2368 -105.6225 -73.3575 558156.7042 -18.9005 -18.6866 PRESSURE: 4070800 -70.2152 42.715 95.8279 42.7149 178.357 -33.3239 95.8288 -33.3239 315.05 GPRESSURE: 4070800 -59.4091 18.309 84.4422 44.5068 276.786 -6.99091 40.9274 -52.6711 305.487 PRESSAVG: 4070800 60.1025 30.7391 -40.9618 30.7391 -56.2483 -16.8286 -40.9617 -16.8286 20.6832 GPRESSAVG: 4070800 59.9213 31.006 -40.4248 32.1503 -57.1074 -15.8736 -40.4049 -15.4661 21.6034 TIMING: 4070800 CPU: 11788.9, 0.00286866/step Wall: 11788.9, 0.00286866/step, 0.740433 hours remaining, 211.175781 MB of memory in use. ENERGY: 4070800 730.2394 2106.3168 1947.1250 118.3937 -206128.7412 17931.4301 0.0000 0.0000 34085.6718 -149209.5644 297.6786 -183295.2362 -149111.9640 299.2666 141.0639 174.2879 557090.3733 8.1791 8.1391 PRESSURE: 4071000 496.048 -57.1019 97.6396 -57.1019 -63.1072 93.7145 97.6407 93.7127 192.608 GPRESSURE: 4071000 581.536 -60.5738 128.124 -123.515 -44.165 60.3299 28.0453 76.9741 174.955 PRESSAVG: 4071000 32.4308 -36.1685 -28.8782 -36.1685 -27.2818 -15.8051 -28.8782 -15.8051 -5.10602 GPRESSAVG: 4071000 31.4618 -35.2479 -32.9133 -37.1023 -26.5182 -16.7321 -27.1815 -17.1465 -5.4873 TIMING: 4071000 CPU: 11789.4, 0.00287137/step Wall: 11789.4, 0.00287138/step, 0.740974 hours remaining, 211.175781 MB of memory in use. ENERGY: 4071000 753.4488 2087.4531 1923.0961 95.7249 -206773.5485 18209.4584 0.0000 0.0000 34237.9334 -149466.4339 299.0084 -183704.3673 -149371.1140 298.5765 208.5163 237.4420 557074.6264 0.0143 -0.1812 PRESSURE: 4071200 125.31 134.635 4.53234 134.635 164.877 -148.762 4.5321 -148.762 -82.5303 GPRESSURE: 4071200 179.907 86.0975 -57.4045 154.437 173.354 -139.216 33.9218 -144.685 -47.8755 PRESSAVG: 4071200 41.0337 24.7655 22.3508 24.7655 -59.6736 -8.4815 22.3507 -8.48159 -3.05327 GPRESSAVG: 4071200 40.9663 25.2753 23.8357 23.9682 -60.5763 -8.27491 22.8223 -6.68948 -2.09249 TIMING: 4071200 CPU: 11790, 0.00285749/step Wall: 11790, 0.00285749/step, 0.737234 hours remaining, 211.175781 MB of memory in use. ENERGY: 4071200 721.8934 2125.9551 1949.9323 105.7392 -205740.8938 17637.3625 0.0000 0.0000 33708.4279 -149491.5833 294.3841 -183200.0112 -149400.7365 298.2007 69.2187 101.7952 557349.6626 -7.2311 -7.2341 PRESSURE: 4071400 142 100.574 232.051 100.575 104.106 -74.9573 232.051 -74.958 80.0555 GPRESSURE: 4071400 184.525 77.7997 260.319 162.101 104.359 1.48485 169.327 -38.1428 128.625 PRESSAVG: 4071400 21.5632 26.891 51.1614 26.8909 8.9495 -75.6113 51.1613 -75.6112 -24.8053 GPRESSAVG: 4071400 22.8206 25.578 50.7521 27.1588 7.9545 -77.6667 51.4965 -74.4123 -24.9106 TIMING: 4071400 CPU: 11790.6, 0.00288256/step Wall: 11790.6, 0.00288256/step, 0.743542 hours remaining, 211.175781 MB of memory in use. ENERGY: 4071400 789.2153 2059.7469 1942.5208 109.5439 -206880.1541 17992.5503 0.0000 0.0000 34432.7537 -149553.8233 300.7098 -183986.5770 -149455.4508 298.8196 108.7204 139.1695 554950.9212 1.9025 1.9548 PRESSURE: 4071600 -252.821 38.9049 -75.1518 38.9034 227.166 76.0835 -75.1508 76.0834 99.6547 GPRESSURE: 4071600 -191.633 36.3154 -104.821 103.451 253.288 157.262 -49.331 29.435 107.789 PRESSAVG: 4071600 -56.3224 -2.26461 14.6212 -2.2647 -5.27197 12.1393 14.6212 12.1394 74.4953 GPRESSAVG: 4071600 -56.0789 -0.920688 14.4858 -3.03728 -3.95706 13.9792 14.4154 13.0937 73.1483 TIMING: 4071600 CPU: 11791.2, 0.00287992/step Wall: 11791.2, 0.00287992/step, 0.7427 hours remaining, 211.175781 MB of memory in use. ENERGY: 4071600 766.3226 2075.4781 1962.5773 120.8202 -206177.3137 17706.7961 0.0000 0.0000 34052.5341 -149492.7854 297.3892 -183545.3195 -149394.1295 299.3378 24.6666 56.4814 555651.9607 4.3003 4.3708 PRESSURE: 4071800 -1.41803 57.715 -21.7241 57.7152 -20.3225 -42.857 -21.7248 -42.8568 -90.8597 GPRESSURE: 4071800 100.277 60.7535 32.7775 13.7607 -17.1786 -20.6534 -37.3198 -38.5102 -95.825 PRESSAVG: 4071800 -80.6868 21.4158 -5.79475 21.4159 69.9809 -17.7778 -5.79474 -17.7779 41.0991 GPRESSAVG: 4071800 -80.5374 20.4628 -4.92145 21.6146 69.9187 -19.4142 -8.17285 -18.5715 40.5298 TIMING: 4071800 CPU: 11791.7, 0.00287895/step Wall: 11791.7, 0.00287895/step, 0.74229 hours remaining, 211.175781 MB of memory in use. ENERGY: 4071800 767.0412 2119.5769 1954.2020 108.7503 -206373.8430 17765.8634 0.0000 0.0000 33995.4511 -149662.9581 296.8907 -183658.4093 -149567.9846 298.0026 -37.5334 -4.2423 556484.1654 10.1311 9.9704 PRESSURE: 4072000 -147.091 -16.5689 -117.708 -16.5693 -104.42 78.8021 -117.708 78.8027 127.416 GPRESSURE: 4072000 -126.659 -19.1147 -118.206 46.4541 -57.7159 57.8148 -1.68098 42.843 159.115 PRESSAVG: 4072000 -28.9463 14.5301 -12.4777 14.5301 31.2425 40.9178 -12.4778 40.9178 -30.5289 GPRESSAVG: 4072000 -28.2026 14.9159 -13.2328 16.5906 29.83 42.3986 -12.3953 39.9961 -29.6924 TIMING: 4072000 CPU: 11792.3, 0.00287839/step Wall: 11792.3, 0.00287839/step, 0.741984 hours remaining, 211.175781 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: 4072000 756.9450 2054.3995 1942.4805 108.0647 -206123.3853 17710.1931 0.0000 0.0000 33914.8483 -149636.4543 296.1868 -183551.3026 -149539.7099 297.9023 -41.3648 -8.4201 556499.0492 -9.4109 -9.3550 PRESSURE: 4072200 -187.168 21.3067 23.9442 21.3065 -68.38 -162.582 23.9453 -162.582 -47.5618 GPRESSURE: 4072200 -194.203 -69.8104 -12.4659 93.7799 -21.8177 -64.2623 -18.4108 -186.965 19.982 PRESSAVG: 4072200 2.36312 35.7562 3.2401 35.7562 -31.3255 -46.3568 3.24012 -46.3568 43.3667 GPRESSAVG: 4072200 1.53135 36.858 2.66746 33.5782 -30.6435 -45.7052 4.484 -45.8711 42.9561 TIMING: 4072200 CPU: 11792.9, 0.00284567/step Wall: 11792.9, 0.00284567/step, 0.733391 hours remaining, 211.175781 MB of memory in use. ENERGY: 4072200 791.3481 2068.6101 1922.2505 113.6302 -206615.7586 17878.0544 0.0000 0.0000 34355.2520 -149486.6133 300.0330 -183841.8652 -149391.4293 298.7030 -101.0365 -65.3464 557138.9516 4.8014 4.6146 LDB: ============= START OF LOAD BALANCING ============== 11796.3 LDB: ============== END OF LOAD BALANCING =============== 11796.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11796.3 LDB: ============= START OF LOAD BALANCING ============== 11796.6 LDB: Largest compute 4773 load 0.023219 is 19.7% of average load 0.118056 LDB: Average compute 0.001729 is 1.5% of average load 0.118056 LDB: TIME 11796.6 LOAD: AVG 0.118056 MAX 0.179741 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.598 MB LDB: TIME 11796.6 LOAD: AVG 0.118056 MAX 0.179741 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.836 MB LDB: TIME 11796.6 LOAD: AVG 0.118056 MAX 0.179741 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.836 MB LDB: ============== END OF LOAD BALANCING =============== 11796.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11796.6 PRESSURE: 4072400 -292.309 -262.232 159.508 -262.232 -86.8619 -202.947 159.51 -202.947 -257.869 GPRESSURE: 4072400 -257.847 -202.801 111.625 -340.534 -18.3857 -122.094 140.682 -164.508 -266.369 PRESSAVG: 4072400 22.0162 -24.6812 23.5147 -24.6812 1.98954 -53.4482 23.5147 -53.4481 24.7063 GPRESSAVG: 4072400 21.4777 -24.1818 25.0575 -24.8764 3.97993 -53.9396 21.6384 -53.7179 23.6717 TIMING: 4072400 CPU: 11793.5, 0.00293054/step Wall: 11793.5, 0.00293054/step, 0.755103 hours remaining, 211.878906 MB of memory in use. ENERGY: 4072400 760.9414 2010.8230 1963.7391 104.0638 -205885.7823 17357.0444 0.0000 0.0000 34259.2206 -149429.9499 299.1943 -183689.1706 -149328.4801 298.9080 -212.3468 -180.8674 558141.6585 16.2373 16.3765 PRESSURE: 4072600 179.589 94.3127 -130.317 94.3128 -186.069 -29.3804 -130.317 -29.3803 62.35 GPRESSURE: 4072600 206.135 95.8023 -145.021 154.441 -141.283 -0.274177 -69.3301 -127.45 91.4504 PRESSAVG: 4072600 39.8611 29.2374 -35.9506 29.2374 -37.0129 11.1266 -35.9507 11.1267 -27.4531 GPRESSAVG: 4072600 39.4063 27.3511 -36.6613 31.1205 -38.6094 11.3921 -34.6839 12.8934 -25.5804 TIMING: 4072600 CPU: 11794, 0.0028811/step Wall: 11794, 0.0028811/step, 0.742203 hours remaining, 211.949219 MB of memory in use. ENERGY: 4072600 677.8398 2093.2456 1961.4164 111.3027 -206304.1965 17815.9037 0.0000 0.0000 34172.5348 -149471.9535 298.4372 -183644.4883 -149376.1095 298.0726 18.6233 52.1009 557362.8345 -8.2016 -8.2611 PRESSURE: 4072800 -96.019 40.0076 18.1291 40.0073 -327.211 -20.3547 18.1303 -20.3537 -221.71 GPRESSURE: 4072800 -49.9509 9.99143 34.6607 92.5412 -295.692 5.22544 61.5046 -66.0447 -199.61 PRESSAVG: 4072800 12.7879 -17.1802 -24.6434 -17.1801 -40.6402 -19.0791 -24.6435 -19.0792 17.15 GPRESSAVG: 4072800 13.8748 -17.8203 -25.702 -16.4993 -40.9339 -19.3847 -26.6223 -19.9231 15.974 TIMING: 4072800 CPU: 11794.6, 0.00287457/step Wall: 11794.6, 0.00287457/step, 0.740362 hours remaining, 211.949219 MB of memory in use. ENERGY: 4072800 741.7741 2133.7842 1943.1530 117.1138 -206223.4101 17606.8707 0.0000 0.0000 34094.7209 -149585.9936 297.7577 -183680.7145 -149493.6651 298.0378 -214.9800 -181.7513 558646.9584 -3.5674 -3.6950 PRESSURE: 4073000 2.46888 17.4685 165.654 17.4687 -230.955 234.423 165.654 234.423 -89.3859 GPRESSURE: 4073000 65.0381 19.6278 163.437 31.3234 -218.152 232.416 133.721 243.676 -74.1327 PRESSAVG: 4073000 26.8972 -42.0623 18.989 -42.0624 -79.0212 5.36106 18.9891 5.36098 44.5689 GPRESSAVG: 4073000 27.5536 -42.6485 18.7178 -41.4822 -79.1308 6.85578 19.5503 2.65446 43.8351 TIMING: 4073000 CPU: 11795.2, 0.0028689/step Wall: 11795.2, 0.0028689/step, 0.738742 hours remaining, 211.949219 MB of memory in use. ENERGY: 4073000 738.0534 2140.1425 1950.9329 113.9677 -206462.5182 17723.2094 0.0000 0.0000 34279.9798 -149516.2324 299.3756 -183796.2122 -149417.5455 298.5217 -105.9572 -75.7490 558418.5082 -2.5184 -2.5807 PRESSURE: 4073200 -269.977 210.472 10.8014 210.472 78.6398 117.167 10.8006 117.17 -107.712 GPRESSURE: 4073200 -194.509 323.54 26.3487 88.4648 69.1286 92.4398 -55.869 46.2221 -75.1724 PRESSAVG: 4073200 -7.58788 24.1217 -11.407 24.1218 -12.36 -26.3685 -11.4071 -26.3685 16.6718 GPRESSAVG: 4073200 -10.0461 25.21 -11.2353 22.6516 -11.4249 -28.3526 -10.9261 -23.9725 17.9751 TIMING: 4073200 CPU: 11795.8, 0.00286237/step Wall: 11795.8, 0.00286237/step, 0.736901 hours remaining, 211.949219 MB of memory in use. ENERGY: 4073200 743.0539 2140.6728 1965.8632 107.5407 -206457.7225 17684.9903 0.0000 0.0000 34128.7371 -149686.8645 298.0547 -183815.6016 -149592.6390 297.9818 -99.6830 -66.8509 556209.3299 -1.0920 -1.1653 PRESSURE: 4073400 -245.646 15.5524 82.5022 15.5529 -158.638 -22.3202 82.5017 -22.3192 196.404 GPRESSURE: 4073400 -223.876 4.49066 139.721 39.2542 -136.947 43.4153 51.716 -91.5632 241.512 PRESSAVG: 4073400 26.019 22.364 21.3737 22.364 33.1279 44.1304 21.3737 44.1304 -14.8259 GPRESSAVG: 4073400 26.7761 24.1074 21.5065 21.1079 32.1837 44.9831 21.2917 44.3731 -15.0565 TIMING: 4073400 CPU: 11796.3, 0.00287874/step Wall: 11796.3, 0.00287874/step, 0.740957 hours remaining, 211.949219 MB of memory in use. ENERGY: 4073400 759.0094 2113.9077 1951.2533 114.0101 -206669.9568 17812.8894 0.0000 0.0000 34230.9818 -149687.9052 298.9477 -183918.8869 -149594.8254 297.7624 -69.2932 -39.7701 556750.5618 14.7737 14.6344 PRESSURE: 4073600 -322.518 82.0623 80.7077 82.0625 -222.33 73.8858 80.7078 73.8859 -109.234 GPRESSURE: 4073600 -237.704 142.943 62.5116 15.3038 -195.75 40.4569 64.873 53.1603 -130.555 PRESSAVG: 4073600 -55.6071 3.39068 28.0878 3.39061 24.4684 64.3564 28.0878 64.3563 34.9101 GPRESSAVG: 4073600 -55.4697 2.62104 28.1172 3.67913 23.9154 63.0818 30.7462 63.3968 35.3996 TIMING: 4073600 CPU: 11796.9, 0.00287501/step Wall: 11796.9, 0.00287501/step, 0.739837 hours remaining, 211.949219 MB of memory in use. ENERGY: 4073600 748.2649 2106.6837 1943.9802 106.9574 -206311.6472 17619.9878 0.0000 0.0000 34091.9678 -149693.8053 297.7336 -183785.7731 -149589.7785 298.0574 -218.0270 -188.0031 557760.1682 1.2571 1.2818 PRESSURE: 4073800 254.68 150.426 -276.218 150.427 40.5337 -61.8481 -276.219 -61.848 -85.5732 GPRESSURE: 4073800 311.084 123.366 -260.383 179.235 112.805 -26.5996 -306.176 10.1805 -92.1537 PRESSAVG: 4073800 -24.4774 78.6701 47.0084 78.6701 42.0172 23.8217 47.0084 23.8217 -1.01296 GPRESSAVG: 4073800 -24.082 76.8903 47.6549 77.579 43.5766 24.9875 45.388 24.0931 -2.20096 TIMING: 4073800 CPU: 11797.5, 0.00289498/step Wall: 11797.5, 0.00289498/step, 0.744814 hours remaining, 211.949219 MB of memory in use. ENERGY: 4073800 765.0973 2072.8080 1938.7307 110.2750 -206326.3785 17784.4511 0.0000 0.0000 33995.6068 -149659.4098 296.8921 -183655.0166 -149569.8684 297.3659 69.8801 110.5784 556566.9713 5.5089 5.7646 PRESSURE: 4074000 -47.9897 -8.85814 17.8899 -8.85575 -194.406 -25.9033 17.89 -25.9028 42.6833 GPRESSURE: 4074000 -10.9028 101.465 34.3613 -96.8759 -147.559 -10.1533 -52.9995 -15.9611 45.5632 PRESSAVG: 4074000 13.4668 68.6598 -14.9604 68.6597 -13.0055 -13.8356 -14.9604 -13.8356 -3.85052 GPRESSAVG: 4074000 14.1417 69.8684 -15.3718 70.4179 -13.8973 -14.7437 -14.8573 -15.3291 -2.98871 TIMING: 4074000 CPU: 11798.1, 0.00286614/step Wall: 11798.1, 0.00286614/step, 0.737234 hours remaining, 211.949219 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: 4074000 715.1052 2009.4894 1948.7681 116.6351 -206154.2901 17663.5140 0.0000 0.0000 34089.2994 -149611.4789 297.7103 -183700.7783 -149513.3131 297.5780 -66.5707 -37.6328 556938.6532 -1.1297 -0.9148 PRESSURE: 4074200 -31.1876 -6.23622 12.3381 -6.23628 -219.683 121.556 12.3386 121.557 -199.379 GPRESSURE: 4074200 -14.3183 -37.9435 93.1842 42.066 -214.39 125.359 70.2025 106.122 -133.804 PRESSAVG: 4074200 9.18917 22.7305 15.5769 22.7305 -16.5179 -35.3015 15.5769 -35.3017 -39.2048 GPRESSAVG: 4074200 10.2715 21.4041 14.1008 22.1409 -16.3337 -33.0532 15.6571 -36.0059 -40.3284 TIMING: 4074200 CPU: 11798.6, 0.00289691/step Wall: 11798.6, 0.00289691/step, 0.74499 hours remaining, 211.949219 MB of memory in use. ENERGY: 4074200 714.5139 2079.6140 1956.8005 105.6300 -206011.7048 17427.9027 0.0000 0.0000 34326.2352 -149401.0085 299.7795 -183727.2436 -149304.6013 297.9224 -150.0831 -120.8376 556900.1829 -15.5112 -15.4636 PRESSURE: 4074400 -15.6291 91.3386 -11.517 91.3384 -181.509 -74.066 -11.5166 -74.0659 -9.39017 GPRESSURE: 4074400 37.2836 180.956 28.2126 69.059 -149.217 -24.5863 -20.859 -117.837 -7.40283 PRESSAVG: 4074400 53.6085 73.1404 33.8852 73.1405 -47.1916 10.6735 33.8852 10.6735 0.789004 GPRESSAVG: 4074400 52.8881 73.865 33.762 72.906 -46.8936 9.29178 34.9868 12.5778 1.52246 TIMING: 4074400 CPU: 11799.2, 0.00290256/step Wall: 11799.2, 0.00290256/step, 0.746279 hours remaining, 211.949219 MB of memory in use. ENERGY: 4074400 747.1107 2067.0670 1933.3046 107.4591 -205845.5703 17639.3894 0.0000 0.0000 34041.6276 -149309.6119 297.2940 -183351.2395 -149217.0151 299.5626 -68.8428 -39.7789 558851.9556 2.4020 2.5056 PRESSURE: 4074600 -29.3064 27.0178 -43.1585 27.0169 -39.6615 38.4143 -43.1567 38.413 35.1106 GPRESSURE: 4074600 21.1092 79.8851 -26.8429 13.0129 10.5773 -14.5397 -143.432 -32.2798 43.564 PRESSAVG: 4074600 27.9024 19.1488 -16.0632 19.1488 -35.0381 27.233 -16.0632 27.2329 -26.0717 GPRESSAVG: 4074600 28.0024 16.7674 -14.1863 20.9568 -36.0757 27.1208 -18.4282 26.2574 -25.1251 TIMING: 4074600 CPU: 11799.8, 0.00286515/step Wall: 11799.8, 0.00286516/step, 0.736504 hours remaining, 211.949219 MB of memory in use. ENERGY: 4074600 787.8291 2076.7710 1953.8841 102.3195 -206792.0751 17996.0241 0.0000 0.0000 34635.2330 -149240.0142 302.4781 -183875.2472 -149141.1636 300.1581 -11.2858 25.0835 556461.0369 -11.0691 -11.0661 PRESSURE: 4074800 182.638 115.371 -121.529 115.37 278.151 0.551003 -121.53 0.550646 -57.725 GPRESSURE: 4074800 270.492 122.86 -131.401 89.0749 247.974 -69.8828 -111.3 -26.1811 -9.53934 PRESSAVG: 4074800 -23.4239 37.7497 -54.4397 37.7496 6.1465 2.9567 -54.4397 2.95673 -9.13804 GPRESSAVG: 4074800 -23.8397 40.0758 -57.3075 36.5335 6.56384 3.02788 -52.0386 3.34969 -9.20005 TIMING: 4074800 CPU: 11800.4, 0.00289751/step Wall: 11800.4, 0.00289751/step, 0.744661 hours remaining, 211.949219 MB of memory in use. ENERGY: 4074800 748.6939 2102.5044 1957.7390 118.2328 -206383.9696 18109.8989 0.0000 0.0000 34318.3699 -149028.5307 299.7109 -183346.9006 -148935.6412 300.2096 134.3547 169.6423 557323.7647 -8.8052 -8.8253 PRESSURE: 4075000 -37.0586 -175.97 -59.4315 -175.971 -109.823 43.9481 -59.4315 43.9466 196.057 GPRESSURE: 4075000 47.4212 -164.649 14.3248 -127.714 -87.3488 4.59497 -89.1996 103.895 191.524 PRESSAVG: 4075000 -53.168 -15.8292 -12.2908 -15.8293 63.862 15.494 -12.2909 15.494 23.504 GPRESSAVG: 4075000 -53.7905 -14.7807 -8.77875 -17.6491 64.9039 14.7043 -14.5084 13.632 23.1162 TIMING: 4075000 CPU: 11801, 0.00289194/step Wall: 11801, 0.00289194/step, 0.743067 hours remaining, 211.949219 MB of memory in use. ENERGY: 4075000 693.6864 2117.2181 1943.2979 115.8811 -206285.7378 17775.0714 0.0000 0.0000 34596.1088 -149044.4741 302.1364 -183640.5829 -148945.2738 300.7587 16.3915 50.5321 556580.6066 11.3993 11.4099 PRESSURE: 4075200 123.622 174.425 -119.322 174.425 -90.1318 29.1644 -119.324 29.1627 251.867 GPRESSURE: 4075200 156.002 64.4967 -216.869 187.977 -71.0916 2.73944 -180.14 59.6947 301.05 PRESSAVG: 4075200 -46.3499 8.69183 -17.5226 8.69178 4.61024 -20.7726 -17.5227 -20.7727 94.6385 GPRESSAVG: 4075200 -46.7097 6.68397 -19.0937 10.151 4.86823 -19.8789 -15.1396 -19.5764 95.0395 TIMING: 4075200 CPU: 11801.5, 0.00288085/step Wall: 11801.5, 0.00288085/step, 0.740059 hours remaining, 211.949219 MB of memory in use. ENERGY: 4075200 722.9138 2133.3827 1982.7854 101.6181 -206275.6789 17906.7421 0.0000 0.0000 34384.1004 -149044.1364 300.2849 -183428.2368 -148947.1698 299.8771 95.1192 128.6534 555481.2435 17.6329 17.7327 PRESSURE: 4075400 -75.735 -92.3043 -83.6385 -92.3039 -78.8572 -112.048 -83.6399 -112.046 -50.4797 GPRESSURE: 4075400 -44.8659 -97.9055 -132.993 -47.3441 -37.4957 -186.35 -72.2923 -20.0897 -24.4449 PRESSAVG: 4075400 -31.2103 -4.88385 -70.7008 -4.88375 29.6097 1.05146 -70.7008 1.05148 48.9087 GPRESSAVG: 4075400 -30.8088 -2.38625 -70.8539 -5.08345 29.1846 2.93012 -70.8169 1.2452 48.7279 TIMING: 4075400 CPU: 11802.1, 0.00286534/step Wall: 11802.1, 0.00286534/step, 0.735914 hours remaining, 211.949219 MB of memory in use. ENERGY: 4075400 742.5270 2069.6605 1977.7124 124.9510 -205914.3266 17656.6747 0.0000 0.0000 34265.4655 -149077.3357 299.2488 -183342.8011 -148987.6550 299.2740 -68.3573 -35.6022 558471.3115 15.7694 15.7012 PRESSURE: 4075600 -25.9069 66.0215 169.503 66.0209 -61.7179 111.544 169.502 111.544 182.163 GPRESSURE: 4075600 -35.7687 67.7542 134.674 37.4123 -29.459 84.7662 234.02 219.036 238.531 PRESSAVG: 4075600 -33.9511 10.9646 60.3775 10.9647 16.7024 -33.1667 60.3775 -33.1667 9.30531 GPRESSAVG: 4075600 -34.8303 9.20483 57.606 12.2871 17.2487 -35.0345 59.666 -33.061 9.11612 TIMING: 4075600 CPU: 11802.7, 0.00285906/step Wall: 11802.7, 0.00285906/step, 0.734143 hours remaining, 211.949219 MB of memory in use. ENERGY: 4075600 680.8058 2121.8399 1968.7893 109.3608 -206487.3584 17984.7641 0.0000 0.0000 34492.5040 -149129.2945 301.2316 -183621.7985 -149033.6208 299.1409 31.5127 57.7677 558038.0011 -2.6478 -2.8218 PRESSURE: 4075800 -59.3187 26.5244 48.9893 26.524 114.586 50.02 48.9881 50.0211 329.561 GPRESSURE: 4075800 -44.0868 -101.781 55.2253 6.97287 162.974 17.1072 51.7071 162.048 375.758 PRESSAVG: 4075800 -32.227 2.40567 57.6271 2.40557 -26.2786 -7.585 57.627 -7.58499 70.8411 GPRESSAVG: 4075800 -30.883 4.08431 63.3009 0.590729 -27.1895 -8.71008 56.1578 -4.85704 70.742 TIMING: 4075800 CPU: 11803.2, 0.00286793/step Wall: 11803.2, 0.00286793/step, 0.73626 hours remaining, 211.949219 MB of memory in use. ENERGY: 4075800 739.9358 2057.3530 1952.1055 101.8408 -206612.6419 18203.6895 0.0000 0.0000 34467.2563 -149090.4610 301.0111 -183557.7174 -148998.3852 299.6057 128.2761 164.8817 557849.4733 4.1118 4.2232 PRESSURE: 4076000 108.826 39.4997 121.113 39.4996 162.629 -50.2724 121.113 -50.2713 -72.0937 GPRESSURE: 4076000 97.5696 -17.6355 145.754 47.9558 256.176 -101.632 42.6578 -4.71597 -64.017 PRESSAVG: 4076000 22.6164 -0.25893 82.5841 -0.258883 -45.677 34.1123 82.5842 34.1123 0.705685 GPRESSAVG: 4076000 22.7802 1.0954 79.6413 -0.989843 -44.881 37.233 83.3218 31.329 -0.30224 TIMING: 4076000 CPU: 11803.8, 0.00288147/step Wall: 11803.8, 0.00288147/step, 0.739576 hours remaining, 211.949219 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: 4076000 763.8562 2133.8953 1960.6102 95.7255 -206307.0672 18028.0104 0.0000 0.0000 34264.4892 -149060.4805 299.2403 -183324.9696 -148970.0099 299.4879 66.4535 96.5762 558217.2998 -7.4516 -7.4677 PRESSURE: 4076200 52.2697 116.713 122.623 116.713 262.245 -45.522 122.624 -45.5216 93.3244 GPRESSURE: 4076200 68.4171 71.0296 160.58 211.324 365.185 -100.806 159.834 2.45941 82.4688 PRESSAVG: 4076200 8.82747 26.0104 45.3327 26.0103 -20.4719 6.73455 45.3327 6.73465 -34.8644 GPRESSAVG: 4076200 8.16394 23.6261 44.8966 27.5104 -20.8568 4.1792 45.8473 7.18712 -33.6296 TIMING: 4076200 CPU: 11804.4, 0.00287135/step Wall: 11804.4, 0.00287135/step, 0.736821 hours remaining, 211.949219 MB of memory in use. ENERGY: 4076200 759.3670 2106.7640 1962.6226 110.1709 -206251.3495 18003.7377 0.0000 0.0000 34216.2289 -149092.4583 298.8188 -183308.6872 -148997.2236 299.2925 135.9463 172.0236 559098.3827 -15.5029 -15.4408 LDB: ============= START OF LOAD BALANCING ============== 11807.8 LDB: ============== END OF LOAD BALANCING =============== 11807.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11807.8 LDB: ============= START OF LOAD BALANCING ============== 11808.1 LDB: Largest compute 4773 load 0.024174 is 20.5% of average load 0.117977 LDB: Average compute 0.001732 is 1.5% of average load 0.117977 LDB: TIME 11808.1 LOAD: AVG 0.117977 MAX 0.176785 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.602 MB LDB: TIME 11808.1 LOAD: AVG 0.117977 MAX 0.176785 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.672 MB LDB: TIME 11808.1 LOAD: AVG 0.117977 MAX 0.176785 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.672 MB LDB: ============== END OF LOAD BALANCING =============== 11808.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11808.1 PRESSURE: 4076400 63.5578 -90.151 42.2643 -90.1506 -182.52 -16.9165 42.2644 -16.9175 -207.106 GPRESSURE: 4076400 134.083 -58.0886 -38.9337 -76.218 -189.016 99.6893 113.231 -5.16159 -185.642 PRESSAVG: 4076400 -11.089 59.8976 47.6736 59.8976 53.0663 21.7376 47.6736 21.7376 -6.15378 GPRESSAVG: 4076400 -11.2882 60.8827 48.3794 60.0674 52.9276 20.8714 46.3746 21.748 -5.9442 TIMING: 4076400 CPU: 11805, 0.00292785/step Wall: 11805, 0.00292785/step, 0.751155 hours remaining, 211.117188 MB of memory in use. ENERGY: 4076400 752.0107 2114.7313 1939.2515 124.2675 -206338.1721 17704.4455 0.0000 0.0000 34536.7089 -149166.7568 301.6177 -183703.4657 -149064.8455 299.2360 -108.6894 -80.1918 558506.5259 11.9412 11.8984 PRESSURE: 4076600 241.287 -36.5029 52.036 -36.5028 81.263 -26.9939 52.0352 -26.9946 -87.0297 GPRESSURE: 4076600 273.681 -9.40657 -108.153 -36.2488 66.7484 -81.623 110.95 -14.5718 6.17744 PRESSAVG: 4076600 12.7706 18.523 24.4665 18.523 41.0746 -31.7892 24.4667 -31.7894 11.3545 GPRESSAVG: 4076600 12.4268 16.7994 23.4553 18.8146 42.5162 -30.3819 23.451 -32.1506 10.4591 TIMING: 4076600 CPU: 11805.6, 0.00290352/step Wall: 11805.6, 0.00290352/step, 0.744752 hours remaining, 211.117188 MB of memory in use. ENERGY: 4076600 804.0471 2096.5742 1955.4287 108.7517 -206276.3558 17885.7664 0.0000 0.0000 34342.2320 -149083.5558 299.9193 -183425.7878 -148985.6626 299.5085 78.5069 115.5357 556764.0546 21.7332 21.8007 PRESSURE: 4076800 -412.867 -120.021 -18.8572 -120.019 -79.9421 -143.495 -18.8566 -143.495 -138.531 GPRESSURE: 4076800 -379.863 -89.1471 86.7426 -122.748 -66.8955 -83.0757 -22.6225 -199.18 -88.2991 PRESSAVG: 4076800 -7.97528 -6.51303 28.5324 -6.51302 46.6668 12.8193 28.5323 12.8193 -33.6915 GPRESSAVG: 4076800 -8.38071 -5.46284 28.569 -6.05184 46.5717 13.5049 30.4433 13.0408 -32.7418 TIMING: 4076800 CPU: 11806.1, 0.00287507/step Wall: 11806.1, 0.00287507/step, 0.737296 hours remaining, 211.117188 MB of memory in use. ENERGY: 4076800 809.8064 2076.2138 1935.7884 103.6090 -205612.1374 17540.4172 0.0000 0.0000 34301.0095 -148845.2930 299.5592 -183146.3025 -148746.9516 300.0511 -210.4469 -178.3524 557901.9232 1.6667 1.8164 PRESSURE: 4077000 -242.662 155.895 -27.387 155.895 -217.19 -93.4827 -27.3872 -93.4815 -103.267 GPRESSURE: 4077000 -181.912 37.8779 -32.294 184.76 -175.381 -53.6994 -32.2728 -137.037 -115.344 PRESSAVG: 4077000 -29.5678 -18.1014 -7.29349 -18.1014 40.0792 9.60331 -7.29355 9.60339 11.034 GPRESSAVG: 4077000 -29.072 -18.6182 -7.98687 -18.7486 39.0694 10.0564 -6.84377 8.24225 11.4277 TIMING: 4077000 CPU: 11806.7, 0.00289129/step Wall: 11806.7, 0.00289129/step, 0.741294 hours remaining, 211.117188 MB of memory in use. ENERGY: 4077000 738.3782 2090.6965 1949.6969 115.9266 -205731.0757 17527.4171 0.0000 0.0000 34343.5979 -148965.3624 299.9312 -183308.9604 -148864.2154 300.3188 -187.7060 -157.5457 559266.0140 7.1818 7.1417 PRESSURE: 4077200 273.437 214.419 124.873 214.42 226.532 70.337 124.872 70.3376 48.4994 GPRESSURE: 4077200 326.943 113.421 60.9718 214.635 247.035 82.2389 104.008 116.513 84.0938 PRESSAVG: 4077200 12.4827 14.1883 -45.486 14.1882 40.9284 58.7231 -45.486 58.723 5.94997 GPRESSAVG: 4077200 13.438 16.4887 -44.3314 12.9509 40.175 57.7349 -45.7228 60.0312 6.44427 TIMING: 4077200 CPU: 11807.3, 0.00286878/step Wall: 11807.3, 0.00286879/step, 0.735365 hours remaining, 211.117188 MB of memory in use. ENERGY: 4077200 751.4983 2120.6298 1941.8148 109.0550 -206329.6366 18016.8543 0.0000 0.0000 34399.7229 -148990.0614 300.4213 -183389.7844 -148896.7829 299.9494 182.8229 219.3572 557831.3641 19.7870 20.0191 PRESSURE: 4077400 -491.856 -91.2432 36.9119 -91.2439 -363.843 29.4162 36.9113 29.4151 -284.332 GPRESSURE: 4077400 -410.148 -53.0804 77.7429 -28.6421 -431.181 72.3763 25.006 2.44373 -192.914 PRESSAVG: 4077400 32.097 33.3808 -28.4755 33.3808 19.062 -21.2806 -28.4755 -21.2806 -31.381 GPRESSAVG: 4077400 31.8166 32.3282 -28.2351 32.5574 20.5593 -21.4223 -26.8992 -21.253 -31.933 TIMING: 4077400 CPU: 11807.9, 0.00288556/step Wall: 11807.9, 0.00288556/step, 0.739506 hours remaining, 211.117188 MB of memory in use. ENERGY: 4077400 772.8694 2048.4522 1944.9960 129.5504 -205301.8685 17257.2370 0.0000 0.0000 34096.3685 -149052.3950 297.7721 -183148.7635 -148959.7270 299.7690 -380.0104 -344.7478 559814.1464 6.5927 6.8143 PRESSURE: 4077600 5.46448 60.8809 -143.724 60.8804 -162.682 -18.1486 -143.724 -18.1485 -41.2132 GPRESSURE: 4077600 -7.33691 65.9973 -132.394 33.4293 -86.4275 -36.8164 -66.0151 46.1413 -1.49115 PRESSAVG: 4077600 -7.88151 -41.336 9.18831 -41.336 -21.84 -2.98248 9.18828 -2.98256 21.1356 GPRESSAVG: 4077600 -9.09651 -42.1182 7.71777 -42.0173 -21.7006 -1.01137 6.9797 -3.75601 22.2542 TIMING: 4077600 CPU: 11808.4, 0.0028976/step Wall: 11808.4, 0.0028976/step, 0.74243 hours remaining, 211.117188 MB of memory in use. ENERGY: 4077600 759.1498 2095.8910 1968.7866 110.3956 -206046.9846 17784.9442 0.0000 0.0000 34212.2317 -149115.5858 298.7839 -183327.8174 -149023.4340 299.6344 -66.1437 -31.7519 557911.1034 -2.8620 -2.8476 PRESSURE: 4077800 -4.55049 147.797 -108.432 147.797 200.681 -109.824 -108.431 -109.826 -237.955 GPRESSURE: 4077800 54.5881 224.379 -108.796 121.526 160.061 -175.832 -34.8278 -95.527 -163.052 PRESSAVG: 4077800 9.70171 39.6933 -35.7656 39.6932 57.1458 -1.33442 -35.7656 -1.33458 -89.1957 GPRESSAVG: 4077800 10.977 41.8121 -34.5641 40.499 56.3918 -2.08276 -35.9207 -0.299169 -90.1199 TIMING: 4077800 CPU: 11809, 0.00288645/step Wall: 11809, 0.00288645/step, 0.739413 hours remaining, 211.117188 MB of memory in use. ENERGY: 4077800 741.9333 2142.5326 1954.4899 111.9676 -205876.1994 17729.2124 0.0000 0.0000 34108.2086 -149087.8550 297.8755 -183196.0637 -148992.5669 298.7668 -13.9413 17.1992 557858.4750 -7.4494 -7.5837 PRESSURE: 4078000 -244.871 84.66 89.2285 84.6591 -142.573 0.367996 89.2285 0.367039 -47.1344 GPRESSURE: 4078000 -255.756 21.8785 90.8586 96.7744 -86.7586 7.97871 127.664 -64.9755 5.5387 PRESSAVG: 4078000 24.4144 -8.16054 -33.5736 -8.16052 -20.1947 -2.38356 -33.5736 -2.38337 15.1634 GPRESSAVG: 4078000 23.521 -8.93243 -35.3658 -7.61403 -19.4477 -2.68131 -32.3777 -4.24319 15.3538 TIMING: 4078000 CPU: 11809.6, 0.0028876/step Wall: 11809.6, 0.0028876/step, 0.739546 hours remaining, 211.117188 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: 4078000 745.7570 2099.3802 1989.6223 112.0619 -206129.1534 17662.6070 0.0000 0.0000 34289.3387 -149230.3862 299.4573 -183519.7250 -149130.8435 299.3065 -144.8592 -112.3254 557149.6723 6.4610 6.4757 PRESSURE: 4078200 -322.554 80.6627 -8.2098 80.6627 -172.358 -116.3 -8.21032 -116.301 -46.0348 GPRESSURE: 4078200 -296.427 80.6915 -15.0301 33.44 -133.489 -129.259 -19.3788 -105.994 -5.30712 PRESSAVG: 4078200 -76.4085 14.6084 12.2373 14.6084 22.3194 -22.2343 12.2372 -22.2343 21.6834 GPRESSAVG: 4078200 -75.9615 13.7281 16.2436 12.8418 21.5332 -21.5795 9.72145 -23.4989 21.5595 TIMING: 4078200 CPU: 11810.2, 0.00288201/step Wall: 11810.2, 0.00288201/step, 0.737954 hours remaining, 211.117188 MB of memory in use. ENERGY: 4078200 743.8238 2071.8892 1945.9434 122.1774 -206257.5218 17663.2342 0.0000 0.0000 34326.8973 -149383.5566 299.7853 -183710.4538 -149283.1133 299.1103 -180.3157 -145.0744 557408.2227 -10.8019 -10.9563 PRESSURE: 4078400 -142.769 55.4556 35.6402 55.4571 -152.206 74.4547 35.6408 74.456 -82.5871 GPRESSURE: 4078400 -94.0078 8.13345 51.2425 70.7793 -132.627 111.703 26.5542 138.9 -58.6135 PRESSAVG: 4078400 -66.7056 67.362 48.9646 67.362 71.9276 13.6382 48.9647 13.6382 36.451 GPRESSAVG: 4078400 -67.5793 67.3681 45.6174 68.7594 71.5765 10.6222 49.807 17.2621 36.5605 TIMING: 4078400 CPU: 11810.8, 0.00289146/step Wall: 11810.8, 0.00289146/step, 0.740213 hours remaining, 211.117188 MB of memory in use. ENERGY: 4078400 759.9500 2071.0932 1947.3307 120.3458 -206411.8282 17647.8885 0.0000 0.0000 34362.8041 -149502.4159 300.0989 -183865.2200 -149405.4735 298.7720 -125.8540 -95.0828 556675.0854 13.8910 13.5192 PRESSURE: 4078600 -142.777 -70.9611 -35.1351 -70.9606 -18.144 183.756 -35.1341 183.755 -88.955 GPRESSURE: 4078600 -158.473 -121.019 31.3747 -88.0189 -41.4167 163.753 -82.2772 186.565 37.7479 PRESSAVG: 4078600 -5.30735 19.7706 34.6798 19.7706 -40.2059 -3.65997 34.6798 -3.66007 21.9578 GPRESSAVG: 4078600 -5.90747 20.3774 33.5305 19.8209 -41.0818 -2.02063 37.4043 -4.3391 23.0819 TIMING: 4078600 CPU: 11811.3, 0.00288747/step Wall: 11811.3, 0.00288747/step, 0.739033 hours remaining, 211.117188 MB of memory in use. ENERGY: 4078600 779.3900 2075.1104 1963.4994 109.6404 -206222.6358 17790.0523 0.0000 0.0000 33948.1826 -149556.7606 296.4779 -183504.9433 -149467.5569 298.4354 -83.2919 -54.0473 557663.0830 -7.8518 -7.9691 PRESSURE: 4078800 19.0945 -16.5902 -9.18842 -16.5897 -94.0268 3.03761 -9.18782 3.03667 105.409 GPRESSURE: 4078800 27.7319 -100.626 -55.5536 35.0695 -7.76941 14.9234 -49.4983 78.0582 104.723 PRESSAVG: 4078800 19.7187 0.834189 -43.1651 0.834146 -45.4393 4.97217 -43.1652 4.97224 6.97506 GPRESSAVG: 4078800 21.2524 -1.98264 -42.1718 3.63504 -45.6237 2.81034 -45.4173 5.43951 6.26411 TIMING: 4078800 CPU: 11811.9, 0.0029028/step Wall: 11811.9, 0.0029028/step, 0.742795 hours remaining, 211.117188 MB of memory in use. ENERGY: 4078800 712.6538 2080.0448 1941.4770 112.0115 -206155.8411 17658.6987 0.0000 0.0000 34107.9975 -149542.9578 297.8736 -183650.9552 -149439.9977 298.3532 10.1589 41.5618 556031.4588 -6.2485 -6.0358 PRESSURE: 4079000 -1.87832 -21.2179 4.62097 -21.2167 40.6147 4.09149 4.62168 4.09264 54.427 GPRESSURE: 4079000 64.5325 -39.0746 -79.3719 -11.0124 56.8004 -12.6385 43.5139 -24.0165 86.7207 PRESSAVG: 4079000 -31.86 -22.4338 35.7753 -22.4338 3.90475 16.8001 35.7752 16.8 29.0098 GPRESSAVG: 4079000 -32.6626 -20.271 38.0106 -22.6931 5.42299 18.1876 35.9897 15.9897 28.4437 TIMING: 4079000 CPU: 11812.5, 0.00286669/step Wall: 11812.5, 0.00286669/step, 0.733394 hours remaining, 211.117188 MB of memory in use. ENERGY: 4079000 742.6232 2012.3620 1944.1825 117.0527 -206263.3640 17929.6377 0.0000 0.0000 34131.7186 -149385.7873 298.0808 -183517.5059 -149285.3794 298.1208 31.0545 69.3512 556044.4187 0.3515 0.4014 PRESSURE: 4079200 56.3431 39.8632 -214.841 39.8636 -3.45555 18.2048 -214.842 18.2053 -7.34799 GPRESSURE: 4079200 102.637 4.0853 -150.323 22.2466 6.30557 24.975 -229.906 -0.62892 38.1654 PRESSAVG: 4079200 9.70851 -30.2527 -63.79 -30.2527 15.6549 45.6742 -63.7899 45.6743 -15.6674 GPRESSAVG: 4079200 9.76725 -31.4597 -64.2749 -29.7877 15.9119 44.7164 -64.1827 45.0829 -16.1341 TIMING: 4079200 CPU: 11813.1, 0.00287386/step Wall: 11813.1, 0.00287386/step, 0.735069 hours remaining, 211.117188 MB of memory in use. ENERGY: 4079200 723.4067 2104.3912 1938.4800 104.1694 -206023.9832 17618.5350 0.0000 0.0000 34276.3169 -149258.6839 299.3436 -183535.0008 -149164.5902 299.0410 15.1798 49.0360 557033.4777 3.2320 3.1817 PRESSURE: 4079400 70.3157 -44.3334 131.849 -44.3338 -160.303 -1.30267 131.849 -1.30227 114.471 GPRESSURE: 4079400 165.124 -80.8733 157.163 -80.2172 -152.931 13.7309 138.233 -10.0016 110.368 PRESSAVG: 4079400 -8.8907 -43.5794 -40.1672 -43.5795 10.1951 -21.8019 -40.1672 -21.8019 -56.5884 GPRESSAVG: 4079400 -8.4966 -42.4547 -39.5589 -45.2005 9.77034 -18.5561 -39.5456 -21.8096 -56.4931 TIMING: 4079400 CPU: 11813.6, 0.00289693/step Wall: 11813.6, 0.00289693/step, 0.740809 hours remaining, 211.117188 MB of memory in use. ENERGY: 4079400 719.4276 2101.4321 1952.1959 124.5466 -206402.3705 17861.8664 0.0000 0.0000 34259.4611 -149383.4409 299.1964 -183642.9019 -149280.5913 299.6668 8.1613 40.8538 559047.9583 -18.4280 -18.4065 PRESSURE: 4079600 216.883 -92.7756 -18.2603 -92.7763 23.9151 -118.865 -18.2592 -118.866 -47.4519 GPRESSURE: 4079600 226.994 -31.2538 -78.131 -153.803 55.8499 -32.9923 -30.6337 -245.248 -8.20151 PRESSAVG: 4079600 25.6419 -24.5985 26.5419 -24.5986 3.75973 -48.3224 26.5419 -48.3226 2.11221 GPRESSAVG: 4079600 25.3749 -24.7308 26.6114 -25.473 4.27583 -50.6276 24.6668 -47.2267 2.14382 TIMING: 4079600 CPU: 11814.2, 0.00289431/step Wall: 11814.2, 0.00289431/step, 0.739978 hours remaining, 211.117188 MB of memory in use. ENERGY: 4079600 746.1847 2137.3759 1954.4663 112.3386 -206626.1869 18050.3561 0.0000 0.0000 34318.0398 -149307.4255 299.7080 -183625.4653 -149215.1578 299.5248 64.4488 91.5474 557116.7616 10.5046 10.5982 PRESSURE: 4079800 -68.6769 3.02295 1.60597 3.0233 90.0315 92.8493 1.60584 92.8501 -80.0224 GPRESSURE: 4079800 7.88729 -55.9303 64.4605 36.2067 102.996 114.648 -118.083 123.944 -68.6054 PRESSAVG: 4079800 103.28 -10.2077 7.91341 -10.2077 -30.3892 36.1246 7.91338 36.1247 -48.481 GPRESSAVG: 4079800 103.346 -8.69841 7.13304 -10.4517 -29.9762 37.6928 9.3241 33.3793 -48.73 TIMING: 4079800 CPU: 11814.8, 0.00286461/step Wall: 11814.8, 0.00286461/step, 0.732226 hours remaining, 211.117188 MB of memory in use. ENERGY: 4079800 788.4138 2081.3754 1967.5559 109.6812 -206478.3511 17977.2259 0.0000 0.0000 34213.4659 -149340.6330 298.7947 -183554.0989 -149246.7970 298.7200 -19.5559 14.0927 557999.8140 8.1366 8.2133 PRESSURE: 4080000 288.054 -55.8702 59.1061 -55.8709 145.574 82.9361 59.1056 82.9365 67.6119 GPRESSURE: 4080000 318.891 -18.8223 138.53 -59.443 230.665 43.6207 110.761 84.683 60.435 PRESSAVG: 4080000 -25.2963 -1.14424 2.1551 -1.14435 14.2763 40.0562 2.15515 40.0562 -1.94928 GPRESSAVG: 4080000 -24.672 -2.94043 2.62553 -0.602337 12.9521 39.2907 3.71295 42.9183 -1.76349 TIMING: 4080000 CPU: 11815.4, 0.0029039/step Wall: 11815.4, 0.0029039/step, 0.742108 hours remaining, 211.117188 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: 4080000 739.5276 2088.6704 1936.9047 105.0321 -206557.4335 18196.5013 0.0000 0.0000 34323.1124 -149167.6851 299.7523 -183490.7975 -149064.1089 298.8674 167.0799 203.3304 557724.5640 -4.3231 -4.4944 PRESSURE: 4080200 -366.744 39.6252 110.094 39.6257 -144.975 -143.823 110.094 -143.823 145.615 GPRESSURE: 4080200 -335.361 66.1338 65.9771 49.8543 -85.1776 -152.107 44.2617 -147.931 164.045 PRESSAVG: 4080200 -6.85697 -42.7237 -16.467 -42.7237 39.5779 -13.1479 -16.4669 -13.1479 -0.545375 GPRESSAVG: 4080200 -7.78026 -42.3782 -19.53 -42.7605 39.4955 -13.6315 -16.4772 -13.7074 0.579093 TIMING: 4080200 CPU: 11816, 0.00290281/step Wall: 11816, 0.00290281/step, 0.741668 hours remaining, 211.117188 MB of memory in use. ENERGY: 4080200 767.6387 2107.7943 1969.6578 105.7032 -206230.3751 17774.5253 0.0000 0.0000 34284.7495 -149220.3064 299.4172 -183505.0559 -149127.0774 299.4127 -122.0347 -85.4980 558981.7397 10.7252 10.7648 LDB: ============= START OF LOAD BALANCING ============== 11819.3 LDB: ============== END OF LOAD BALANCING =============== 11819.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11819.3 LDB: ============= START OF LOAD BALANCING ============== 11819.6 LDB: Largest compute 4773 load 0.023490 is 19.9% of average load 0.118105 LDB: Average compute 0.001730 is 1.5% of average load 0.118105 LDB: TIME 11819.6 LOAD: AVG 0.118105 MAX 0.181026 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.246 MB LDB: TIME 11819.6 LOAD: AVG 0.118105 MAX 0.181026 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.246 MB LDB: TIME 11819.6 LOAD: AVG 0.118105 MAX 0.181026 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.246 MB LDB: ============== END OF LOAD BALANCING =============== 11819.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11819.6 PRESSURE: 4080400 -15.584 -190.723 89.9264 -190.723 -138.737 28.5527 89.9275 28.5516 -277.441 GPRESSURE: 4080400 5.34727 -153.388 68.4909 -228.453 -104.975 7.36076 177.218 2.37866 -229.017 PRESSAVG: 4080400 57.1565 -31.2757 -4.34436 -31.2757 24.5392 -35.3485 -4.34431 -35.3484 -38.6539 GPRESSAVG: 4080400 57.279 -33.1196 -3.5929 -29.098 26.4286 -35.8036 -5.03522 -35.2075 -40.4834 TIMING: 4080400 CPU: 11816.5, 0.00294306/step Wall: 11816.5, 0.00294306/step, 0.751789 hours remaining, 210.722656 MB of memory in use. ENERGY: 4080400 715.3363 2159.4527 1967.6737 121.5557 -205961.4450 17589.3813 0.0000 0.0000 34126.5733 -149281.4720 298.0359 -183408.0453 -149181.6645 299.5941 -143.9208 -109.5483 557611.8681 14.3473 14.4080 PRESSURE: 4080600 -391.554 -25.4137 99.8173 -25.4137 -362.181 267.594 99.8171 267.593 -413.103 GPRESSURE: 4080600 -350.053 66.3244 142.839 -48.8817 -338.286 250.119 99.3033 219.611 -376.337 PRESSAVG: 4080600 -17.0172 -8.44883 77.2663 -8.44876 9.36826 12.4069 77.2662 12.4069 28.6861 GPRESSAVG: 4080600 -18.3205 -6.41032 78.9368 -10.5152 9.64753 13.0264 76.0496 11.8827 29.9037 TIMING: 4080600 CPU: 11817.1, 0.00288772/step Wall: 11817.1, 0.00288772/step, 0.73749 hours remaining, 210.925781 MB of memory in use. ENERGY: 4080600 771.5586 2075.9589 1932.6433 118.3421 -205763.2858 17323.0396 0.0000 0.0000 34073.2308 -149468.5124 297.5700 -183541.7432 -149371.0834 299.3738 -388.9461 -354.8922 559788.7572 7.0124 7.0769 PRESSURE: 4080800 251.647 -6.69437 110.155 -6.69364 366.736 -62.5646 110.155 -62.5636 101.199 GPRESSURE: 4080800 280.405 -19.238 164.62 30.076 346.051 -35.7851 76.3535 -11.1163 180.065 PRESSAVG: 4080800 16.0156 18.1534 60.1308 18.1535 -16.9658 4.4737 60.1308 4.4738 24.6099 GPRESSAVG: 4080800 16.5594 20.0127 59.0701 16.5418 -16.7076 4.57069 60.187 6.19891 24.2619 TIMING: 4080800 CPU: 11817.7, 0.00288143/step Wall: 11817.7, 0.00288143/step, 0.735726 hours remaining, 210.925781 MB of memory in use. ENERGY: 4080800 740.8361 2108.0141 1958.0475 116.9431 -206787.6653 18234.0412 0.0000 0.0000 34104.4390 -149525.3444 297.8425 -183629.7833 -149425.7404 298.3233 239.8610 268.8403 554786.7689 7.8866 8.0379 PRESSURE: 4081000 -47.733 -56.2359 138.236 -56.2354 -52.1622 53.0232 138.236 53.0223 -25.6934 GPRESSURE: 4081000 -69.5501 -48.4079 160.293 -62.2555 -28.1115 -26.0796 127.242 139.003 67.0648 PRESSAVG: 4081000 16.9362 -19.8719 21.6326 -19.8719 -14.2085 -20.4552 21.6326 -20.4551 31.0707 GPRESSAVG: 4081000 17.2878 -21.2823 21.6853 -18.1261 -15.1287 -21.8714 23.703 -21.5641 31.3807 TIMING: 4081000 CPU: 11818.3, 0.00287978/step Wall: 11818.3, 0.00287978/step, 0.735143 hours remaining, 210.925781 MB of memory in use. ENERGY: 4081000 761.0985 2066.1089 1927.6298 110.4549 -206450.0971 17822.5861 0.0000 0.0000 34346.3010 -149415.9178 299.9548 -183762.2188 -149322.1854 298.6459 -41.8629 -10.1990 555371.0137 11.2661 11.1799 PRESSURE: 4081200 73.1436 124.2 -7.45208 124.2 -187.255 1.52324 -7.4528 1.52302 -52.191 GPRESSURE: 4081200 96.9514 173.807 -28.7671 104.549 -170.32 8.32282 -40.461 -15.2965 10.8407 PRESSAVG: 4081200 7.70313 -21.9852 21.4859 -21.9853 -30.6758 -25.019 21.4858 -25.0189 -2.19958 GPRESSAVG: 4081200 7.02004 -20.4582 22.5811 -22.7049 -30.2378 -25.5291 19.2469 -24.1865 -2.55874 TIMING: 4081200 CPU: 11818.9, 0.00288034/step Wall: 11818.9, 0.00288034/step, 0.735126 hours remaining, 210.925781 MB of memory in use. ENERGY: 4081200 735.6732 2117.0324 1952.6380 126.4555 -206060.1327 17604.7908 0.0000 0.0000 33901.3495 -149622.1933 296.0689 -183523.5428 -149523.1154 298.5651 -55.4340 -20.8426 556304.8538 -8.3907 -8.5922 PRESSURE: 4081400 -169.67 -107.022 86.1828 -107.023 -112.392 -130.678 86.1838 -130.678 -164.144 GPRESSURE: 4081400 -131.132 -158.178 44.9892 -82.0021 -71.0907 -102.618 47.119 -174.757 -141.577 PRESSAVG: 4081400 29.9183 51.2284 -27.8022 51.2283 23.7909 -43.4418 -27.8021 -43.4418 -5.24659 GPRESSAVG: 4081400 30.7642 49.6239 -28.5053 50.3729 24.0785 -41.4824 -26.8591 -46.76 -5.74319 TIMING: 4081400 CPU: 11819.4, 0.00288536/step Wall: 11819.4, 0.00288536/step, 0.736247 hours remaining, 210.925781 MB of memory in use. ENERGY: 4081400 716.9525 2129.2961 1962.5956 101.9107 -206171.7891 17582.3856 0.0000 0.0000 34360.2325 -149318.4161 300.0765 -183678.6486 -149218.9254 298.4906 -148.7352 -114.6000 558071.0119 16.1542 16.3665 PRESSURE: 4081600 -277.043 92.5162 117.12 92.5161 -14.9945 104.48 117.121 104.48 -238.412 GPRESSURE: 4081600 -258.194 120.887 171.896 -0.27221 2.45606 107.545 115.345 159.608 -184.766 PRESSAVG: 4081600 2.3846 10.6441 -11.1541 10.6441 25.3247 -22.3429 -11.1541 -22.3429 -37.0867 GPRESSAVG: 4081600 2.31643 10.6889 -13.3148 10.0532 25.3469 -24.6562 -11.067 -18.7388 -36.2601 TIMING: 4081600 CPU: 11820, 0.0028645/step Wall: 11820, 0.0028645/step, 0.730766 hours remaining, 210.925781 MB of memory in use. ENERGY: 4081600 735.2149 2077.5056 1959.0583 113.5800 -205790.0003 17371.8668 0.0000 0.0000 34220.8093 -149311.9654 298.8588 -183532.7747 -149212.1788 299.1872 -176.8165 -146.8349 556858.9708 -3.1258 -2.8656 PRESSURE: 4081800 -159.622 26.2671 228.806 26.2665 12.721 174.062 228.806 174.063 -6.34521 GPRESSURE: 4081800 -187.765 -23.4524 189.431 -24.1321 60.9171 67.5561 251.553 188.215 67.2167 PRESSAVG: 4081800 8.84375 15.7351 -18.8723 15.735 40.1126 -33.0502 -18.8723 -33.05 -22.2089 GPRESSAVG: 4081800 9.09651 13.0054 -17.29 19.1786 40.9308 -31.9643 -19.9634 -33.7859 -22.5304 TIMING: 4081800 CPU: 11820.6, 0.00288083/step Wall: 11820.6, 0.00288083/step, 0.734773 hours remaining, 210.925781 MB of memory in use. ENERGY: 4081800 761.0607 2073.8480 1936.9406 106.7016 -206485.3159 17847.2716 0.0000 0.0000 34461.8796 -149297.6137 300.9642 -183759.4934 -149194.4149 299.1071 -51.0820 -19.8771 555440.4523 8.9158 9.1657 PRESSURE: 4082000 -266.314 -41.7182 64.9054 -41.7178 -170.268 45.6407 64.9058 45.6389 -50.6252 GPRESSURE: 4082000 -195.694 -101.445 65.3416 7.28006 -123.701 33.1415 65.3524 29.6411 -65.4378 PRESSAVG: 4082000 27.3213 11.8473 -21.7532 11.8472 5.86254 -13.6913 -21.7532 -13.6912 -43.3757 GPRESSAVG: 4082000 26.5315 14.197 -21.9489 8.46859 5.54594 -15.1366 -20.3159 -12.6405 -42.7831 TIMING: 4082000 CPU: 11821.2, 0.00290333/step Wall: 11821.2, 0.00290333/step, 0.740349 hours remaining, 210.925781 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: 4082000 751.1909 2103.4248 1958.1149 119.5986 -206101.8760 17683.3556 0.0000 0.0000 34021.2522 -149464.9391 297.1161 -183486.1912 -149369.9668 298.5392 -162.4023 -128.2776 557146.9119 -3.3973 -3.5685 PRESSURE: 4082200 78.1746 -52.6826 1.3588 -52.6823 156.683 -30.7393 1.35908 -30.7403 237.477 GPRESSURE: 4082200 122.044 -80.9116 31.8743 -65.0692 195.026 -56.8115 36.5226 -21.727 261.208 PRESSAVG: 4082200 12.57 -63.2915 32.9617 -63.2915 52.099 -4.86767 32.9616 -4.86776 -16.115 GPRESSAVG: 4082200 13.1898 -61.9796 34.0286 -60.6132 50.9595 -1.80028 34.3892 -6.34374 -15.9964 TIMING: 4082200 CPU: 11821.7, 0.00289652/step Wall: 11821.7, 0.00289652/step, 0.738451 hours remaining, 210.925781 MB of memory in use. ENERGY: 4082200 741.1343 2072.4006 1933.8619 130.3941 -206844.5946 18036.7357 0.0000 0.0000 34333.4380 -149596.6301 299.8425 -183930.0681 -149498.0456 297.7881 157.4445 192.7595 555558.9402 16.1847 16.0510 PRESSURE: 4082400 -41.5054 25.2201 -26.0829 25.221 -302.433 81.4846 -26.0814 81.4854 285.981 GPRESSURE: 4082400 -43.4172 56.8998 26.385 -29.8911 -226.714 10.9862 -91.5994 90.7613 312.618 PRESSAVG: 4082400 -35.6548 25.7183 -20.2798 25.7183 -3.2405 -28.2926 -20.2798 -28.2927 -1.07743 GPRESSAVG: 4082400 -35.0956 22.5326 -22.2106 24.2002 -2.54917 -29.4308 -23.4332 -28.7078 -1.40666 TIMING: 4082400 CPU: 11822.3, 0.0028727/step Wall: 11822.3, 0.0028727/step, 0.732219 hours remaining, 210.925781 MB of memory in use. ENERGY: 4082400 700.5167 2119.7631 1945.0192 98.6240 -206092.5429 17620.3730 0.0000 0.0000 34154.0285 -149454.2184 298.2756 -183608.2469 -149359.7417 298.3017 -19.3192 14.1622 558093.2226 -13.3242 -13.0171 PRESSURE: 4082600 43.6867 91.7501 -58.4866 91.7481 111.18 -48.4073 -58.4865 -48.4075 -131.75 GPRESSURE: 4082600 49.6151 59.6472 -23.7485 126.956 153.786 -68.368 -25.9657 -122.825 -84.0816 PRESSAVG: 4082600 18.926 -8.74834 -19.4221 -8.74832 -46.8094 -18.018 -19.4221 -18.018 13.8236 GPRESSAVG: 4082600 18.2614 -8.25744 -17.3867 -7.44648 -47.0129 -19.1668 -20.4102 -17.0527 14.1012 TIMING: 4082600 CPU: 11822.9, 0.00288541/step Wall: 11822.9, 0.00288541/step, 0.735299 hours remaining, 210.925781 MB of memory in use. ENERGY: 4082600 724.4445 2110.6482 1958.3455 118.9189 -206644.3986 17842.1179 0.0000 0.0000 34566.7446 -149323.1791 301.8800 -183889.9238 -149228.2982 298.3717 7.7055 39.7730 558143.5858 -4.6866 -4.8834 PRESSURE: 4082800 117.515 -148.194 -30.6904 -148.194 -94.3355 22.2894 -30.6918 22.2897 -55.9044 GPRESSURE: 4082800 147.725 -148.187 -79.0136 -68.5127 3.31363 15.537 -46.8503 38.7366 -92.5313 PRESSAVG: 4082800 28.0451 -44.4515 -21.4945 -44.4516 52.8033 26.013 -21.4945 26.0129 -73.2618 GPRESSAVG: 4082800 28.2115 -43.8962 -23.3135 -44.066 53.1723 24.6618 -20.2705 28.035 -73.0941 TIMING: 4082800 CPU: 11823.5, 0.00288351/step Wall: 11823.5, 0.00288351/step, 0.734655 hours remaining, 210.925781 MB of memory in use. ENERGY: 4082800 755.9183 2118.4604 1949.3131 104.7327 -206291.4600 17822.2196 0.0000 0.0000 34217.3076 -149323.5082 298.8283 -183540.8158 -149227.4972 298.9626 -10.9085 19.5026 556174.3014 2.5289 2.7632 PRESSURE: 4083000 -34.8052 115.908 41.7149 115.908 340.807 155.35 41.716 155.35 -94.2382 GPRESSURE: 4083000 -4.00948 81.6259 12.3906 115.258 355.85 195.79 11.7224 212.762 -32.8866 PRESSAVG: 4083000 -44.6032 -3.67026 16.5039 -3.67031 46.3646 18.577 16.504 18.5769 9.31246 GPRESSAVG: 4083000 -45.0939 -1.46154 16.6028 -5.69753 46.663 22.1374 16.7438 16.4786 9.31259 TIMING: 4083000 CPU: 11824, 0.00286288/step Wall: 11824, 0.00286288/step, 0.729239 hours remaining, 210.925781 MB of memory in use. ENERGY: 4083000 740.1204 2115.8517 1976.3117 114.4473 -205615.6398 17602.5914 0.0000 0.0000 33961.3349 -149104.9823 296.5928 -183066.3172 -149014.2193 298.7767 70.5880 106.3179 554683.9088 3.6913 3.6272 PRESSURE: 4083200 -50.1279 -135.648 -48.1669 -135.648 71.2634 98.5436 -48.1665 98.5432 -77.1202 GPRESSURE: 4083200 1.35536 -146.653 -121.187 -111.201 71.1819 39.6227 -78.5348 126.114 -26.5155 PRESSAVG: 4083200 24.4934 -24.3845 13.9104 -24.3846 9.99398 18.8157 13.9104 18.8156 -14.2939 GPRESSAVG: 4083200 25.343 -25.4835 14.3662 -23.398 10.1968 17.2038 13.2095 20.3504 -15.5583 TIMING: 4083200 CPU: 11824.6, 0.00286676/step Wall: 11824.6, 0.00286676/step, 0.730069 hours remaining, 210.925781 MB of memory in use. ENERGY: 4083200 737.0305 2057.4261 1952.7223 119.3567 -206075.7554 17700.0221 0.0000 0.0000 34320.2573 -149188.9403 299.7273 -183509.1977 -149095.4242 298.6000 -18.6616 15.3406 554981.0378 6.7312 6.6605 PRESSURE: 4083400 88.0284 -197.512 -50.7893 -197.513 -55.4119 14.5227 -50.7905 14.5223 83.7452 GPRESSURE: 4083400 89.228 -104.255 -32.9201 -230.503 18.38 1.9875 -146.649 86.6896 119.675 PRESSAVG: 4083400 34.9087 12.311 -4.937 12.311 15.0497 -6.37858 -4.93723 -6.37866 14.5305 GPRESSAVG: 4083400 35.2874 12.0233 -6.62983 12.7564 13.7098 -5.70107 -4.02554 -6.92212 15.0229 TIMING: 4083400 CPU: 11825.2, 0.00285394/step Wall: 11825.2, 0.00285394/step, 0.726644 hours remaining, 210.925781 MB of memory in use. ENERGY: 4083400 764.2084 2064.5330 1958.6612 114.1707 -205987.7235 17687.9772 0.0000 0.0000 34270.8747 -149127.2983 299.2961 -183398.1730 -149027.8777 299.6380 38.7872 75.7610 555719.9372 21.4963 21.3400 PRESSURE: 4083600 -81.0549 -8.80437 -126.209 -8.80548 85.3749 181.48 -126.209 181.479 117.722 GPRESSURE: 4083600 -57.1525 56.3005 -155.444 -4.08977 152.06 38.0293 -76.816 184.626 130.388 PRESSAVG: 4083600 13.5857 63.8356 -26.6914 63.8356 46.438 49.3612 -26.6914 49.3612 -54.5331 GPRESSAVG: 4083600 12.7059 64.3223 -25.1782 63.1696 47.3483 49.9141 -27.6998 49.3207 -54.3899 TIMING: 4083600 CPU: 11825.8, 0.00286527/step Wall: 11825.8, 0.00286527/step, 0.729369 hours remaining, 210.925781 MB of memory in use. ENERGY: 4083600 751.6367 2135.3417 1942.6132 108.8547 -206376.2004 17888.1502 0.0000 0.0000 34285.4614 -149264.1425 299.4235 -183549.6039 -149168.3859 299.1571 40.6807 75.0987 554633.4843 1.8302 1.8881 PRESSURE: 4083800 15.9487 -62.3601 24.2835 -62.3604 133.663 82.2895 24.2828 82.287 70.072 GPRESSURE: 4083800 32.7507 -119.45 55.2658 8.53887 182.297 101.41 -9.71733 17.2934 110.38 PRESSAVG: 4083800 6.1733 44.5996 -41.7975 44.5995 -7.20393 41.9175 -41.7975 41.9176 34.8818 GPRESSAVG: 4083800 5.42661 42.8822 -42.9197 44.0327 -6.78365 43.4375 -41.6968 39.9838 35.2144 TIMING: 4083800 CPU: 11826.3, 0.00286869/step Wall: 11826.3, 0.00286869/step, 0.730081 hours remaining, 210.925781 MB of memory in use. ENERGY: 4083800 734.6101 2115.3657 1943.7612 109.2567 -206045.0032 17667.0760 0.0000 0.0000 34293.5066 -149181.4269 299.4937 -183474.9335 -149084.2258 299.1113 73.2279 108.4760 555174.3308 11.2837 11.2858 PRESSURE: 4084000 -44.1946 -127.437 -40.7329 -127.437 72.6092 -152.634 -40.733 -152.635 28.5773 GPRESSURE: 4084000 -11.2675 -148.268 -42.3761 -52.9788 107.072 -188.073 26.2665 -140.968 68.3777 PRESSAVG: 4084000 -4.88689 -4.75136 -15.1979 -4.75134 39.5101 19.5489 -15.198 19.5491 -9.27047 GPRESSAVG: 4084000 -3.53864 -4.7708 -15.4265 -3.12445 38.2203 16.6147 -13.36 21.0851 -9.24695 TIMING: 4084000 CPU: 11826.9, 0.00288197/step Wall: 11826.9, 0.00288197/step, 0.733301 hours remaining, 210.925781 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: 4084000 769.7369 2072.7761 1976.8439 126.9298 -206208.2133 17905.3739 0.0000 0.0000 34172.1536 -149184.3991 298.4339 -183356.5527 -149090.7385 299.3069 18.9973 54.7274 557473.8247 8.4509 8.4782 PRESSURE: 4084200 -9.32933 178.769 -182.525 178.769 172.085 115.323 -182.526 115.323 353.32 GPRESSURE: 4084200 21.3933 203.823 -203.76 224.303 235.666 153.534 -164.456 100.482 357.406 PRESSAVG: 4084200 -30.0772 -2.5847 5.63746 -2.58469 -20.1114 48.3801 5.6375 48.38 11.0005 GPRESSAVG: 4084200 -29.9729 -0.746623 5.49811 -4.33106 -20.8643 51.9686 5.15605 46.9842 11.0649 TIMING: 4084200 CPU: 11827.5, 0.00288575/step Wall: 11827.5, 0.00288575/step, 0.734102 hours remaining, 210.925781 MB of memory in use. ENERGY: 4084200 787.1243 2108.3939 1964.2180 119.1878 -206317.5966 18007.0190 0.0000 0.0000 33917.1533 -149414.5002 296.2069 -183331.6535 -149320.9052 298.6017 172.0251 204.8216 556052.6732 -13.0627 -13.2575 LDB: ============= START OF LOAD BALANCING ============== 11830.9 LDB: ============== END OF LOAD BALANCING =============== 11830.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11830.9 LDB: ============= START OF LOAD BALANCING ============== 11831.2 LDB: Largest compute 4773 load 0.024832 is 21.0% of average load 0.118041 LDB: Average compute 0.001732 is 1.5% of average load 0.118041 LDB: TIME 11831.2 LOAD: AVG 0.118041 MAX 0.178959 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.434 MB LDB: TIME 11831.2 LOAD: AVG 0.118041 MAX 0.178959 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.641 MB LDB: TIME 11831.2 LOAD: AVG 0.118041 MAX 0.178959 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11831.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11831.2 PRESSURE: 4084400 -11.4696 90.2268 61.0921 90.2271 7.27095 -28.455 61.0937 -28.4552 -28.863 GPRESSURE: 4084400 110.506 56.6073 -21.5967 86.5232 25.6829 44.8508 85.0344 -55.4325 -69.6315 PRESSAVG: 4084400 -3.95369 37.6159 -33.7854 37.6159 -1.31976 -34.7662 -33.7854 -34.7662 -16.4071 GPRESSAVG: 4084400 -4.74635 35.5276 -33.193 38.5674 -0.154874 -35.6783 -35.08 -35.3115 -16.884 TIMING: 4084400 CPU: 11828.1, 0.00294673/step Wall: 11828.1, 0.00294673/step, 0.749451 hours remaining, 209.496094 MB of memory in use. ENERGY: 4084400 740.0136 2106.1374 1940.2686 107.9473 -206341.7027 17719.8613 0.0000 0.0000 34336.4405 -149391.0339 299.8687 -183727.4744 -149292.0665 298.6033 -11.0205 22.1859 556461.9363 -7.2268 -7.2617 PRESSURE: 4084600 192.725 -70.7202 232.072 -70.7205 -10.2078 81.2593 232.072 81.2589 251.128 GPRESSURE: 4084600 218.136 -4.13112 220.905 -44.4005 33.0684 37.4842 164.568 -18.6456 287.019 PRESSAVG: 4084600 30.6315 35.9892 29.2845 35.9893 3.78583 34.0949 29.2845 34.095 -31.3629 GPRESSAVG: 4084600 31.3836 36.0044 28.521 37.0397 4.03721 33.5659 28.6885 34.031 -31.6861 TIMING: 4084600 CPU: 11828.7, 0.00289401/step Wall: 11828.7, 0.00289401/step, 0.735882 hours remaining, 209.496094 MB of memory in use. ENERGY: 4084600 693.3624 2088.1034 1945.9281 120.3397 -206639.1252 18084.8254 0.0000 0.0000 34097.1770 -149609.3892 297.7791 -183706.5662 -149513.2725 298.1748 144.5483 179.4077 555894.0230 1.0181 1.2449 PRESSURE: 4084800 -20.4212 110.348 -13.2006 110.348 39.2147 -22.3789 -13.2001 -22.3773 22.0822 GPRESSURE: 4084800 15.6854 124.212 -38.0086 109.875 25.6054 71.5821 26.6763 -40.8144 102.214 PRESSAVG: 4084800 -14.3775 -8.69509 19.136 -8.69505 -8.98726 22.1203 19.1361 22.1204 64.3225 GPRESSAVG: 4084800 -14.2045 -7.65427 20.4547 -9.04206 -8.21229 22.6343 20.5178 23.5361 64.4172 TIMING: 4084800 CPU: 11829.2, 0.00289567/step Wall: 11829.2, 0.00289567/step, 0.736144 hours remaining, 209.496094 MB of memory in use. ENERGY: 4084800 720.9836 2069.0611 1973.6313 124.3543 -206491.8332 17752.8197 0.0000 0.0000 34353.9955 -149496.9877 300.0220 -183850.9831 -149397.9371 299.3093 13.6252 47.8349 555115.6183 13.6526 14.0001 PRESSURE: 4085000 -12.9172 -38.7779 104.04 -38.7767 129.205 -3.06024 104.04 -3.06103 48.4481 GPRESSURE: 4085000 11.5398 -90.3762 239.763 -24.6939 154.388 8.60915 36.8091 14.9995 93.071 PRESSAVG: 4085000 -30.4753 -34.3154 38.549 -34.3154 65.7962 8.49004 38.549 8.48998 5.39493 GPRESSAVG: 4085000 -31.3776 -35.2395 40.1778 -34.0334 65.9256 7.32302 37.8405 9.27341 5.92962 TIMING: 4085000 CPU: 11829.8, 0.00291376/step Wall: 11829.8, 0.00291376/step, 0.740579 hours remaining, 209.496094 MB of memory in use. ENERGY: 4085000 703.2082 2108.0016 1961.6894 130.0849 -206557.0564 17899.7936 0.0000 0.0000 34257.9698 -149496.3089 299.1834 -183754.2786 -149392.5009 298.2899 54.9121 86.3330 556477.0440 13.5719 13.4925 PRESSURE: 4085200 -74.8045 -123.699 -31.201 -123.7 27.7376 0.549281 -31.2013 0.548449 -27.4619 GPRESSURE: 4085200 -32.9055 -130.973 17.8044 -80.659 86.522 16.0372 10.4411 -7.15037 -32.8174 PRESSAVG: 4085200 -26.2933 -74.8255 -13.1675 -74.8255 44.76 -3.97581 -13.1674 -3.97585 -45.6154 GPRESSAVG: 4085200 -25.6574 -73.8781 -13.0322 -76.6919 43.9021 -4.29948 -13.3813 -4.47988 -45.4842 TIMING: 4085200 CPU: 11830.4, 0.00287862/step Wall: 11830.4, 0.00287862/step, 0.73149 hours remaining, 209.496094 MB of memory in use. ENERGY: 4085200 752.7002 2145.6134 1967.6526 117.0762 -206406.7568 17874.0702 0.0000 0.0000 34202.6005 -149347.0438 298.6998 -183549.6442 -149251.1616 299.4751 -24.8429 6.9330 557313.9042 -9.0496 -9.0798 PRESSURE: 4085400 17.8121 13.1177 -77.8073 13.1181 24.6141 109.905 -77.8076 109.904 -314.617 GPRESSURE: 4085400 8.77918 -30.7919 -85.4007 60.5364 50.8161 129.11 -194.33 8.62489 -224.901 PRESSAVG: 4085400 -62.1763 36.1215 2.01486 36.1215 64.3098 45.9473 2.01487 45.9472 2.63828 GPRESSAVG: 4085400 -61.7773 35.6769 0.7908 37.9768 63.2101 48.1106 2.68846 43.3207 2.63091 TIMING: 4085400 CPU: 11831, 0.00288491/step Wall: 11831, 0.00288491/step, 0.732926 hours remaining, 209.496094 MB of memory in use. ENERGY: 4085400 741.7195 2062.6824 1953.2323 127.7269 -206180.6807 17623.0071 0.0000 0.0000 34254.6139 -149417.6985 299.1541 -183672.3125 -149323.1224 298.9007 -90.7301 -55.1020 556389.2320 1.5906 1.3546 PRESSURE: 4085600 -138.983 27.4354 48.8489 27.4345 152.35 -53.6838 48.8497 -53.684 228.169 GPRESSURE: 4085600 -91.7146 67.3754 11.8025 -11.5338 186.537 -90.1005 -27.9938 26.6685 241.478 PRESSAVG: 4085600 -37.6822 16.4751 -45.1029 16.4751 24.917 -6.36524 -45.1029 -6.36531 -14.8081 GPRESSAVG: 4085600 -38.8667 17.236 -45.431 14.4503 24.9065 -8.81291 -44.5013 -4.32754 -14.0202 TIMING: 4085600 CPU: 11831.5, 0.00288426/step Wall: 11831.5, 0.00288426/step, 0.732603 hours remaining, 209.496094 MB of memory in use. ENERGY: 4085600 737.6315 2123.3314 1961.6775 119.5964 -206404.3279 17924.6127 0.0000 0.0000 34185.4264 -149352.0521 298.5498 -183537.4786 -149254.5477 298.8222 80.5121 112.1000 555914.2785 -9.1911 -9.3268 PRESSURE: 4085800 -112.342 -133.796 184.116 -133.796 -124.262 109.656 184.117 109.655 -199.281 GPRESSURE: 4085800 -134.709 -151.798 162.428 -99.7447 -103.215 191.315 190.66 115.054 -99.0776 PRESSAVG: 4085800 -42.4017 20.6266 17.1319 20.6266 93.1979 10.8182 17.1318 10.8182 -13.5374 GPRESSAVG: 4085800 -42.5066 19.5767 17.6764 22.8319 93.2507 11.0191 16.8296 11.1585 -13.2578 TIMING: 4085800 CPU: 11832.1, 0.00288509/step Wall: 11832.1, 0.00288509/step, 0.732652 hours remaining, 209.496094 MB of memory in use. ENERGY: 4085800 711.0325 2120.6180 1962.6751 108.8933 -206094.8473 17663.9308 0.0000 0.0000 34238.9971 -149288.7005 299.0177 -183527.6976 -149191.0414 299.5646 -145.2952 -112.3338 557934.6987 12.4196 12.4955 PRESSURE: 4086000 -214.022 -129.963 -23.3589 -129.962 -91.8134 38.6262 -23.3598 38.6253 -279.492 GPRESSURE: 4086000 -120.042 -178.051 78.4962 -150.7 -67.1546 54.832 -127.101 53.0715 -295.099 PRESSAVG: 4086000 30.0897 20.6737 -15.775 20.6738 -86.4669 15.8986 -15.7749 15.8986 35.9453 GPRESSAVG: 4086000 32.0475 20.642 -17.841 20.5771 -86.9965 19.7988 -16.1836 14.9793 34.4328 TIMING: 4086000 CPU: 11832.7, 0.00286224/step Wall: 11832.7, 0.00286224/step, 0.726691 hours remaining, 209.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4086000 758.2412 2104.4754 1943.9285 124.2635 -206121.2706 17663.5434 0.0000 0.0000 34164.8375 -149361.9810 298.3700 -183526.8185 -149270.4933 299.1601 -195.1094 -160.7651 558534.5206 -6.8106 -6.8387 PRESSURE: 4086200 -132.343 -146.078 -79.3621 -146.078 -42.0505 2.01461 -79.3623 2.01555 53.2674 GPRESSURE: 4086200 -145.316 -177.127 -112.159 -74.2011 -0.552405 39.3545 -90.6829 -81.8228 110.572 PRESSAVG: 4086200 42.2484 -28.2905 -45.7418 -28.2906 -35.9707 3.37957 -45.7418 3.37964 16.1894 GPRESSAVG: 4086200 40.561 -27.8342 -43.9498 -30.9806 -35.9557 0.709025 -44.8016 5.34374 18.1642 TIMING: 4086200 CPU: 11833.3, 0.0028782/step Wall: 11833.3, 0.0028782/step, 0.730584 hours remaining, 209.496094 MB of memory in use. ENERGY: 4086200 741.7800 2096.3423 1922.1265 103.3889 -206362.7161 17985.4340 0.0000 0.0000 34111.8426 -149401.8017 297.9072 -183513.6444 -149310.3858 298.2578 -40.3752 -11.7653 558330.0182 7.4890 7.5898 PRESSURE: 4086400 5.58273 -54.2459 38.8144 -54.2453 87.0382 112.569 38.8154 112.57 -250.555 GPRESSURE: 4086400 32.1938 -37.3586 -24.7656 -75.4367 165.979 78.8578 143.343 123.814 -245.42 PRESSAVG: 4086400 -7.83553 5.71553 -2.74907 5.71553 8.65727 17.0276 -2.74912 17.0276 33.3678 GPRESSAVG: 4086400 -5.96364 6.05509 -3.23855 6.20682 10.0842 16.809 -3.13487 15.9572 30.2139 TIMING: 4086400 CPU: 11833.8, 0.00288273/step Wall: 11833.8, 0.00288273/step, 0.731573 hours remaining, 209.496094 MB of memory in use. ENERGY: 4086400 729.0370 2074.3666 1940.2128 115.5577 -206369.1829 17823.1767 0.0000 0.0000 34149.2811 -149537.5510 298.2342 -183686.8322 -149432.0075 298.9688 -52.6448 -15.7492 557627.1876 11.3965 11.4448 PRESSURE: 4086600 -258.417 20.3304 210.648 20.3294 -118.54 -108.17 210.648 -108.171 -170.47 GPRESSURE: 4086600 -238.938 -30.6112 174.357 17.6528 -93.4341 -19.3061 228.831 -233.376 -116.171 PRESSAVG: 4086600 -80.5357 49.2332 67.543 49.2331 51.1151 -30.5745 67.543 -30.5746 -2.2925 GPRESSAVG: 4086600 -80.1806 49.9103 68.2842 49.7871 49.7025 -31.8241 67.7329 -30.0328 -1.0546 TIMING: 4086600 CPU: 11834.4, 0.0028841/step Wall: 11834.4, 0.0028841/step, 0.73176 hours remaining, 209.496094 MB of memory in use. ENERGY: 4086600 731.0739 2077.8312 1919.6728 95.6772 -206067.4949 17516.9553 0.0000 0.0000 34130.0932 -149596.1912 298.0666 -183726.2844 -149495.7531 297.8501 -182.4757 -149.5144 557449.2670 -10.5710 -10.5109 PRESSURE: 4086800 -44.0992 -183.509 -178.194 -183.508 -100.552 108.079 -178.195 108.079 -46.246 GPRESSURE: 4086800 -7.30778 -190.055 -123.325 -130.479 -129.076 69.9367 -62.8267 197.533 48.813 PRESSAVG: 4086800 55.6777 -24.4883 7.11985 -24.4883 17.3921 19.6397 7.11986 19.6397 -25.0265 GPRESSAVG: 4086800 54.4037 -25.7479 5.72044 -24.1356 18.3392 21.5243 8.23024 17.2406 -24.5464 TIMING: 4086800 CPU: 11835, 0.00287809/step Wall: 11835, 0.00287809/step, 0.730076 hours remaining, 209.496094 MB of memory in use. ENERGY: 4086800 730.7878 2081.2703 1910.3297 104.4801 -206495.5721 17772.5846 0.0000 0.0000 34295.0518 -149601.0679 299.5072 -183896.1196 -149502.5335 298.1320 -63.6325 -29.1903 557634.9681 16.0144 16.0655 PRESSURE: 4087000 -195.918 -26.9324 114.868 -26.9319 -69.7442 85.0655 114.868 85.0651 38.86 GPRESSURE: 4087000 -54.5239 -60.1939 170.841 -60.7075 -68.7043 98.6807 141.66 69.7833 -8.05631 PRESSAVG: 4087000 26.1225 4.59355 13.8538 4.59348 -20.6131 11.2653 13.8538 11.2653 18.5256 GPRESSAVG: 4087000 27.2408 4.6538 16.7655 4.13756 -22.3492 10.7189 10.6215 12.4465 19.4249 TIMING: 4087000 CPU: 11835.6, 0.00286838/step Wall: 11835.6, 0.00286838/step, 0.727453 hours remaining, 209.496094 MB of memory in use. ENERGY: 4087000 738.9539 2116.2853 1919.1016 112.7617 -206034.3544 17538.5926 0.0000 0.0000 34206.8830 -149401.7762 298.7372 -183608.6592 -149301.4056 298.5596 -75.6008 -43.7615 558181.4123 8.0117 8.1055 PRESSURE: 4087200 -271.254 4.75014 141.436 4.75136 88.0463 137.347 141.437 137.349 -376.894 GPRESSURE: 4087200 -241.813 -14.199 141.112 121.355 119.966 176.921 146.328 73.0969 -355.852 PRESSAVG: 4087200 -5.96188 33.1763 49.4755 33.1764 21.5546 43.0637 49.4755 43.0637 37.4431 GPRESSAVG: 4087200 -5.89949 34.874 48.7471 33.0336 22.0866 40.9103 52.2408 44.8928 36.1684 TIMING: 4087200 CPU: 11836.1, 0.00287679/step Wall: 11836.1, 0.00287679/step, 0.729427 hours remaining, 209.496094 MB of memory in use. ENERGY: 4087200 749.0378 2051.6149 1958.4059 114.4493 -206022.8916 17554.7155 0.0000 0.0000 34224.6624 -149370.0058 298.8925 -183594.6682 -149273.5570 298.3367 -186.7004 -159.2328 559320.1676 17.6786 17.4518 PRESSURE: 4087400 -85.1316 22.8043 -96.0883 22.8033 -142.45 33.8336 -96.0891 33.8347 -190.55 GPRESSURE: 4087400 -48.0519 -55.8897 -104.507 183.766 -86.6374 -86.5015 -144.303 90.3431 -193.499 PRESSAVG: 4087400 5.87508 -7.81059 -2.96498 -7.8106 -23.4012 23.2144 -2.96498 23.2144 -14.8165 GPRESSAVG: 4087400 4.61652 -9.82727 -4.6229 -7.42469 -22.8521 23.9504 -5.01957 22.3715 -14.3823 TIMING: 4087400 CPU: 11836.7, 0.00289053/step Wall: 11836.7, 0.00289053/step, 0.732749 hours remaining, 209.496094 MB of memory in use. ENERGY: 4087400 771.2163 2039.3768 1915.1044 106.0228 -205838.5627 17645.3216 0.0000 0.0000 34138.6196 -149222.9011 298.1411 -183361.5207 -149126.5633 299.3629 -139.3774 -109.3961 557730.7576 -10.7809 -10.8726 PRESSURE: 4087600 73.0471 -34.6499 30.3696 -34.6506 -342.51 65.4254 30.369 65.425 -446.936 GPRESSURE: 4087600 78.5175 -37.2176 -1.20329 -109.297 -310.778 74.2429 24.9909 24.0529 -392.078 PRESSAVG: 4087600 75.1374 2.99758 -23.5512 2.99762 -50.0676 -75.6583 -23.5512 -75.6585 -22.5719 GPRESSAVG: 4087600 76.0823 3.74242 -21.86 1.6306 -51.3059 -74.9094 -23.7883 -77.2574 -22.3333 TIMING: 4087600 CPU: 11837.3, 0.00286556/step Wall: 11837.3, 0.00286556/step, 0.72626 hours remaining, 209.496094 MB of memory in use. ENERGY: 4087600 726.9100 2062.0947 1977.6169 116.0097 -205679.5128 17309.5280 0.0000 0.0000 34190.6999 -149296.6535 298.5959 -183487.3534 -149202.2876 298.8596 -238.7996 -208.1127 557037.9655 0.8326 0.8143 PRESSURE: 4087800 -151.887 34.0515 -136.564 34.0512 -58.4757 31.3655 -136.562 31.3672 -165.442 GPRESSURE: 4087800 -100.837 57.0669 -153.536 -66.9102 -50.1989 22.5328 -106.07 65.7099 -121.706 PRESSAVG: 4087800 30.9827 -17.2493 -39.2864 -17.2492 39.0237 -24.1984 -39.2863 -24.1983 -31.3277 GPRESSAVG: 4087800 31.0276 -18.0221 -39.7339 -15.4982 38.4249 -25.1382 -38.9673 -24.1277 -30.4241 TIMING: 4087800 CPU: 11837.9, 0.00289284/step Wall: 11837.9, 0.00289284/step, 0.733012 hours remaining, 209.496094 MB of memory in use. ENERGY: 4087800 717.9502 2063.1466 1956.2288 110.1687 -205864.9202 17649.6030 0.0000 0.0000 34145.3799 -149222.4432 298.2001 -183367.8230 -149132.1233 298.5057 -125.2683 -90.9141 559161.7270 12.8929 13.0095 PRESSURE: 4088000 -201.146 51.9715 -107.071 51.9722 -229.848 -181 -107.071 -180.998 -7.73141 GPRESSURE: 4088000 -128.029 30.8626 -147.484 85.1778 -172.73 -143.357 -116.019 -215.748 -44.3174 PRESSAVG: 4088000 20.889 -15.2736 -41.0888 -15.2736 -60.0597 25.43 -41.0888 25.4301 36.1226 GPRESSAVG: 4088000 21.2419 -16.1523 -41.06 -16.1946 -58.9515 27.9965 -41.7106 23.9732 34.6848 TIMING: 4088000 CPU: 11838.5, 0.00288111/step Wall: 11838.5, 0.00288111/step, 0.729882 hours remaining, 209.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4088000 748.0714 2044.2756 1940.0137 112.2249 -205896.3918 17600.7313 0.0000 0.0000 34266.1012 -149184.9737 299.2544 -183451.0749 -149098.3786 298.8433 -146.2417 -115.0255 559638.9228 -1.0160 -1.0083 PRESSURE: 4088200 -140.16 -77.4108 88.0327 -77.4105 -108.248 -144.588 88.0312 -144.589 -152.428 GPRESSURE: 4088200 -81.9681 -139.954 65.2521 10.0124 -75.4754 -165.535 -8.62917 -123.603 -147.641 PRESSAVG: 4088200 -10.9432 20.7984 -0.188916 20.7984 30.0639 -41.0957 -0.18894 -41.0958 -23.5731 GPRESSAVG: 4088200 -11.63 22.0893 0.946553 21.9025 30.3868 -41.98 -0.185938 -38.8389 -23.1336 TIMING: 4088200 CPU: 11839, 0.00289663/step Wall: 11839, 0.00289663/step, 0.733651 hours remaining, 209.496094 MB of memory in use. ENERGY: 4088200 744.9585 2071.7782 1945.3029 105.3321 -205890.9455 17618.0906 0.0000 0.0000 34322.3074 -149083.1758 299.7452 -183405.4832 -148981.2500 299.0781 -133.6119 -101.6950 559175.5999 -1.4841 -1.4590 LDB: ============= START OF LOAD BALANCING ============== 11842.4 LDB: ============== END OF LOAD BALANCING =============== 11842.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11842.4 LDB: ============= START OF LOAD BALANCING ============== 11842.7 LDB: Largest compute 4773 load 0.025139 is 21.3% of average load 0.118032 LDB: Average compute 0.001727 is 1.5% of average load 0.118032 LDB: TIME 11842.7 LOAD: AVG 0.118032 MAX 0.178322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.781 MB LDB: TIME 11842.7 LOAD: AVG 0.118032 MAX 0.178322 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.809 MB LDB: TIME 11842.7 LOAD: AVG 0.118032 MAX 0.178322 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.809 MB LDB: ============== END OF LOAD BALANCING =============== 11842.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11842.7 PRESSURE: 4088400 136.237 90.5929 -201.3 90.5931 102.398 121.618 -201.299 121.616 -148.024 GPRESSURE: 4088400 163.948 179.293 -140.403 51.7592 130.213 123.321 -151.678 105.741 -104.77 PRESSAVG: 4088400 -21.4379 24.063 -44.2353 24.063 36.8584 -37.1697 -44.2353 -37.1696 -24.4583 GPRESSAVG: 4088400 -21.2011 25.0165 -44.3894 23.9189 37.1238 -39.5989 -43.4019 -36.5755 -24.717 TIMING: 4088400 CPU: 11839.6, 0.00293707/step Wall: 11839.6, 0.00293707/step, 0.74373 hours remaining, 212.218750 MB of memory in use. ENERGY: 4088400 787.2594 2124.8554 1962.5806 110.7206 -206179.9184 18026.4329 0.0000 0.0000 34317.0369 -148851.0325 299.6992 -183168.0694 -148761.0370 299.8753 30.2038 63.1304 558428.4569 -3.0126 -2.9314 PRESSURE: 4088600 -142.307 -60.1926 38.189 -60.1918 -271.698 -94.3997 38.1902 -94.3977 -116.979 GPRESSURE: 4088600 -99.0416 33.545 7.77617 -89.9998 -189.076 -78.6978 48.5589 -86.1216 -142.901 PRESSAVG: 4088600 12.6241 33.281 -4.5629 33.2811 -12.9616 -10.3942 -4.56288 -10.3943 7.47778 GPRESSAVG: 4088600 12.26 29.9818 -8.04575 33.5021 -13.8658 -8.78909 -2.52632 -11.6927 8.7826 TIMING: 4088600 CPU: 11840.2, 0.00287722/step Wall: 11840.2, 0.00287722/step, 0.728416 hours remaining, 212.421875 MB of memory in use. ENERGY: 4088600 783.2652 2134.5050 1907.4997 117.1808 -205831.2023 17491.6858 0.0000 0.0000 34587.3237 -148809.7422 302.0597 -183397.0659 -148716.6321 300.5168 -176.9949 -143.6729 559447.7368 2.3801 2.3923 PRESSURE: 4088800 -17.0315 36.5279 -60.9002 36.5286 -67.9239 12.9106 -60.899 12.911 -227.241 GPRESSURE: 4088800 25.4548 75.1137 -39.0527 61.6206 -78.5606 13.2574 -141.083 8.94812 -166.754 PRESSAVG: 4088800 65.7727 56.7501 15.7479 56.75 51.3773 64.6698 15.7478 64.6697 -48.1009 GPRESSAVG: 4088800 65.8002 59.8793 19.5593 56.5981 51.8003 63.3533 13.4525 66.7463 -48.5294 TIMING: 4088800 CPU: 11840.8, 0.00285381/step Wall: 11840.8, 0.00285381/step, 0.72233 hours remaining, 212.421875 MB of memory in use. ENERGY: 4088800 727.9430 2143.0235 1940.9531 107.0870 -205613.4496 17539.3053 0.0000 0.0000 34317.1044 -148838.0332 299.6998 -183155.1376 -148739.7112 300.3982 -104.0654 -73.2866 560221.3162 23.0164 23.0237 PRESSURE: 4089000 365.724 278.484 -0.692159 278.483 127.856 -33.814 -0.691186 -33.8144 -55.391 GPRESSURE: 4089000 315.535 334.626 60.3884 281.642 203.633 11.6222 -79.7125 -44.2889 14.5974 PRESSAVG: 4089000 1.49194 19.5755 -0.732148 19.5755 -77.7476 33.567 -0.732089 33.5671 48.0592 GPRESSAVG: 4089000 0.672082 17.9567 -3.69496 20.0424 -76.839 35.0337 0.715874 33.376 48.176 TIMING: 4089000 CPU: 11841.3, 0.00287809/step Wall: 11841.3, 0.00287809/step, 0.728316 hours remaining, 212.421875 MB of memory in use. ENERGY: 4089000 724.5053 2089.0654 1934.6684 105.9593 -205893.6740 17870.7673 0.0000 0.0000 34443.0824 -148725.6259 300.8000 -183168.7084 -148619.8613 300.0059 146.0628 177.9216 558818.2580 -9.3988 -9.3303 PRESSURE: 4089200 15.0222 75.8634 26.3285 75.8647 -391.579 -150.95 26.329 -150.95 7.28832 GPRESSURE: 4089200 49.7489 86.5326 12.123 38.559 -338.514 -205.294 2.13146 -98.6639 9.48974 PRESSAVG: 4089200 31.9582 29.6057 -25.5452 29.6057 1.05573 -32.9479 -25.5452 -32.9479 -28.4591 GPRESSAVG: 4089200 30.6647 30.6375 -22.9303 28.2808 1.5098 -32.8828 -27.0528 -34.1622 -27.5474 TIMING: 4089200 CPU: 11841.9, 0.00287291/step Wall: 11841.9, 0.00287291/step, 0.726846 hours remaining, 212.421875 MB of memory in use. ENERGY: 4089200 733.3126 2141.9397 1923.8315 109.3193 -205574.1687 17599.9070 0.0000 0.0000 34301.9442 -148763.9144 299.5674 -183065.8587 -148666.5243 300.4027 -123.0894 -93.0918 559197.0045 1.5183 1.5424 PRESSURE: 4089400 -347.01 -39.9079 54.0857 -39.9073 -249.687 -171.158 54.0851 -171.158 204.539 GPRESSURE: 4089400 -284.452 39.1094 38.5336 -45.8418 -197.693 -154.93 32.3489 -122.843 187.146 PRESSAVG: 4089400 14.3742 -63.2358 -11.3294 -63.2358 -57.7856 -17.625 -11.3293 -17.6248 53.8363 GPRESSAVG: 4089400 16.6594 -63.9445 -13.0478 -61.8408 -58.795 -15.8235 -10.237 -16.8014 52.6568 TIMING: 4089400 CPU: 11842.5, 0.00288237/step Wall: 11842.5, 0.00288237/step, 0.729078 hours remaining, 212.421875 MB of memory in use. ENERGY: 4089400 732.9879 2092.2155 1962.3840 123.3210 -205618.3995 17474.3167 0.0000 0.0000 34403.3555 -148829.8189 300.4531 -183233.1744 -148721.4156 300.4810 -130.7192 -98.3329 556848.7040 3.4750 3.5071 PRESSURE: 4089600 46.0824 81.9824 112.087 81.9829 80.9715 -19.2402 112.087 -19.2405 -146.551 GPRESSURE: 4089600 34.887 88.2147 53.7574 42.8756 123.882 -10.0638 102.113 52.5539 -62.6853 PRESSAVG: 4089600 33.3194 -18.8818 -17.6935 -18.8818 -53.9933 7.9854 -17.6937 7.98537 13.617 GPRESSAVG: 4089600 33.7808 -17.1158 -18.4045 -20.0481 -54.6727 3.23807 -17.0073 9.39158 14.166 TIMING: 4089600 CPU: 11843.1, 0.00286432/step Wall: 11843.1, 0.00286432/step, 0.724354 hours remaining, 212.421875 MB of memory in use. ENERGY: 4089600 726.4377 2111.2721 1925.7365 118.8961 -205977.7201 17703.7581 0.0000 0.0000 34307.7549 -149083.8648 299.6182 -183391.6197 -148985.5925 300.2891 -6.4991 32.0280 556975.5560 -2.3523 -2.2420 PRESSURE: 4089800 51.4538 -10.1336 -156.851 -10.1337 -37.7848 52.6533 -156.85 52.6528 104.976 GPRESSURE: 4089800 111.677 -42.7026 -30.1509 -88.2646 0.925972 -26.9022 -112.203 138.235 108.294 PRESSAVG: 4089800 68.2732 -26.5007 0.432069 -26.5007 -27.3363 -2.10231 0.432049 -2.10224 4.24288 GPRESSAVG: 4089800 67.9443 -29.489 1.60627 -26.3699 -25.8679 0.478133 -2.23207 -3.37286 2.60381 TIMING: 4089800 CPU: 11843.6, 0.00287343/step Wall: 11843.6, 0.00287343/step, 0.726498 hours remaining, 212.421875 MB of memory in use. ENERGY: 4089800 766.9215 2063.9122 1956.1303 121.2841 -206247.2806 17946.4192 0.0000 0.0000 34325.1354 -149067.4778 299.7699 -183392.6132 -148967.8843 300.0531 39.5484 73.6322 556367.2000 15.0599 14.8934 PRESSURE: 4090000 143.9 17.395 -11.7057 17.3959 -253.117 94.2876 -11.7047 94.2862 12.0614 GPRESSURE: 4090000 140.89 -20.0241 1.80134 41.5595 -226.761 131.036 -89.0273 81.7142 91.3442 PRESSAVG: 4090000 -56.8232 -43.9165 -20.0208 -43.9165 3.07399 -17.3656 -20.0207 -17.3658 67.9349 GPRESSAVG: 4090000 -57.3488 -41.2648 -19.3747 -46.1758 2.57855 -18.2309 -20.335 -19.4366 69.2522 TIMING: 4090000 CPU: 11844.2, 0.00285864/step Wall: 11844.2, 0.00285864/step, 0.722601 hours remaining, 212.421875 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: 4090000 717.2353 2136.4732 1931.0729 110.1471 -206212.0585 17799.1203 0.0000 0.0000 34457.7700 -149060.2396 300.9283 -183518.0096 -148965.6717 299.2228 -32.3851 1.8244 557841.1882 4.7285 4.8273 PRESSURE: 4090200 -144.409 9.65316 7.60275 9.65081 156.998 10.1451 7.60298 10.1471 -111.483 GPRESSURE: 4090200 -75.9151 32.4525 75.1289 83.1295 166.054 -14.1972 -12.2253 -3.82126 -95.4375 PRESSAVG: 4090200 -44.9094 -17.3704 26.5378 -17.3704 -9.88226 53.2346 26.5378 53.2347 -3.62299 GPRESSAVG: 4090200 -44.9968 -19.3375 25.7922 -15.7579 -10.0308 55.9657 29.9423 53.7245 -2.83387 TIMING: 4090200 CPU: 11844.8, 0.00285761/step Wall: 11844.8, 0.00285761/step, 0.722182 hours remaining, 212.421875 MB of memory in use. ENERGY: 4090200 732.0652 2097.3468 1943.0049 113.6106 -206108.2359 17815.0145 0.0000 0.0000 34325.4098 -149081.7841 299.7723 -183407.1939 -148985.7501 299.5728 -32.9645 -1.7664 556873.2534 -19.4715 -19.2871 PRESSURE: 4090400 47.0919 -43.162 54.6446 -43.1622 -242.293 119.052 54.6446 119.052 -48.0172 GPRESSURE: 4090400 50.7072 8.44174 64.0457 -19.5765 -184.841 51.8462 67.6662 77.3154 -4.22006 PRESSAVG: 4090400 10.8928 7.93707 -7.72639 7.93702 56.4502 -12.8307 -7.72644 -12.8307 -59.6199 GPRESSAVG: 4090400 10.1394 10.2014 -7.70711 7.49931 57.1656 -14.501 -8.50999 -12.1988 -59.2263 TIMING: 4090400 CPU: 11845.4, 0.00287798/step Wall: 11845.4, 0.00287798/step, 0.727169 hours remaining, 212.421875 MB of memory in use. ENERGY: 4090400 770.1412 2054.4565 1947.6107 108.7287 -205890.7328 17570.6583 0.0000 0.0000 34243.6778 -149195.4596 299.0586 -183439.1374 -149093.7598 299.3959 -81.0729 -46.1179 558225.7015 2.5743 2.6929 PRESSURE: 4090600 -13.8327 168.302 164.823 168.302 -8.65717 10.8341 164.823 10.8355 -210.71 GPRESSURE: 4090600 54.8797 221.456 178.846 133.38 11.1754 -51.8064 94.5527 114.376 -193.976 PRESSAVG: 4090600 11.1306 49.0725 21.8381 49.0726 -24.372 6.91389 21.8381 6.91397 7.63017 GPRESSAVG: 4090600 12.6906 50.4048 20.7242 49.2372 -25.0931 5.33023 21.7334 9.31204 6.98278 TIMING: 4090600 CPU: 11845.9, 0.00287235/step Wall: 11845.9, 0.00287235/step, 0.725588 hours remaining, 212.421875 MB of memory in use. ENERGY: 4090600 791.7175 2023.0193 1946.7985 108.6265 -206115.2796 17744.7378 0.0000 0.0000 34242.0595 -149258.3205 299.0444 -183500.3800 -149161.3697 299.2052 -77.7333 -42.6404 556584.1362 -1.8704 -1.8066 PRESSURE: 4090800 -59.0696 57.1663 158.993 57.1657 75.1267 161.796 158.992 161.796 -43.0182 GPRESSURE: 4090800 -76.7392 91.7414 198.008 81.6251 85.8722 114.843 140.633 219.655 65.3038 PRESSAVG: 4090800 -24.815 10.1818 10.1759 10.1817 58.7423 33.8279 10.1758 33.8279 21.7231 GPRESSAVG: 4090800 -25.9423 6.52479 12.4663 12.3932 59.098 33.8338 9.24678 33.3975 22.6702 TIMING: 4090800 CPU: 11846.5, 0.0028721/step Wall: 11846.5, 0.0028721/step, 0.725366 hours remaining, 212.421875 MB of memory in use. ENERGY: 4090800 708.0677 2080.6602 1936.7009 114.0409 -206028.9370 17749.3098 0.0000 0.0000 34332.7541 -149107.4034 299.8365 -183440.1575 -149008.2586 298.9388 -8.9870 24.8123 556368.5883 18.5501 18.6086 PRESSURE: 4091000 171.176 20.3982 -62.1428 20.3971 -106.886 -3.97249 -62.1441 -3.97159 -227.747 GPRESSURE: 4091000 224.25 61.14 -117.284 26.3491 -125.449 -1.56737 14.0599 52.0095 -157.374 PRESSAVG: 4091000 9.10545 2.51317 -44.3257 2.51321 -8.9801 -40.557 -44.3257 -40.5569 7.025 GPRESSAVG: 4091000 9.9963 4.63523 -45.3522 0.16223 -9.9432 -37.9211 -43.0636 -41.0533 6.80296 TIMING: 4091000 CPU: 11847.1, 0.00286558/step Wall: 11847.1, 0.00286558/step, 0.72356 hours remaining, 212.421875 MB of memory in use. ENERGY: 4091000 674.1927 2084.8349 1939.7946 114.4590 -206143.8662 17734.8260 0.0000 0.0000 34491.6849 -149104.0740 301.2245 -183595.7588 -149012.4227 299.6083 -54.4857 -19.5244 558283.2114 2.3835 2.2854 PRESSURE: 4091200 -191.864 39.7918 -47.8658 39.791 -154.939 -91.7959 -47.865 -91.7968 98.4707 GPRESSURE: 4091200 -176.963 12.2131 -39.078 -33.8431 -86.137 -107.888 -12.1203 -102.312 116.168 PRESSAVG: 4091200 54.9333 -8.01591 -37.0093 -8.01599 -39.1102 -1.89892 -37.0092 -1.89898 3.5356 GPRESSAVG: 4091200 55.7491 -10.3563 -36.7764 -6.33651 -39.0384 -4.75375 -36.8782 -1.9056 2.51716 TIMING: 4091200 CPU: 11847.7, 0.00288656/step Wall: 11847.7, 0.00288656/step, 0.728696 hours remaining, 212.421875 MB of memory in use. ENERGY: 4091200 751.3872 2088.9993 1944.9583 107.0312 -206084.3522 17688.2121 0.0000 0.0000 34375.1990 -149128.5651 300.2072 -183503.7641 -149033.3085 300.4250 -82.7774 -48.9773 557400.5384 6.4529 6.4093 PRESSURE: 4091400 -66.9754 78.2972 -189.51 78.2975 75.9075 87.2154 -189.51 87.2145 -391.344 GPRESSURE: 4091400 -5.05985 28.8139 -81.8958 126.72 50.4436 7.29438 -177.962 117.678 -318.426 PRESSAVG: 4091400 33.8194 13.4054 -44.4003 13.4055 44.8926 -24.4841 -44.4004 -24.4842 -26.1421 GPRESSAVG: 4091400 33.686 14.4783 -44.3017 10.6146 44.5296 -22.644 -43.5068 -26.0149 -25.7365 TIMING: 4091400 CPU: 11848.2, 0.00287573/step Wall: 11848.2, 0.00287573/step, 0.725802 hours remaining, 212.421875 MB of memory in use. ENERGY: 4091400 736.3131 2082.2759 1974.0305 116.9952 -205936.2047 17550.6300 0.0000 0.0000 34276.7540 -149199.2060 299.3474 -183475.9600 -149094.7836 299.2730 -127.4705 -91.0141 557034.6562 17.5233 17.4930 PRESSURE: 4091600 37.0703 10.9749 -125.766 10.9751 -367.096 165.458 -125.767 165.457 -189.384 GPRESSURE: 4091600 81.4336 9.70944 -110.029 -79.6835 -312.905 52.5728 -77.7532 216.538 -194.541 PRESSAVG: 4091600 -54.275 -29.1336 49.3955 -29.1337 55.4666 2.02411 49.3956 2.02409 -1.86295 GPRESSAVG: 4091600 -56.2448 -29.9863 46.8319 -25.8595 57.8802 1.94979 50.2221 3.00884 -2.47062 TIMING: 4091600 CPU: 11848.8, 0.00286933/step Wall: 11848.8, 0.00286933/step, 0.724027 hours remaining, 212.492188 MB of memory in use. ENERGY: 4091600 742.2632 2111.1038 1935.6853 111.2314 -206162.8475 17706.1174 0.0000 0.0000 34176.1443 -149380.3021 298.4688 -183556.4464 -149286.4104 298.9785 -173.1363 -142.0042 558227.2533 -0.2238 -0.2784 PRESSURE: 4091800 -31.6859 -114.917 -94.9017 -114.917 40.6885 129.146 -94.9024 129.144 47.5291 GPRESSURE: 4091800 2.39533 -165.896 -94.2658 -22.7282 60.6775 155.421 -72.3177 95.3854 90.7046 PRESSAVG: 4091800 -28.0357 -12.6853 18.908 -12.6853 12.9314 22.4181 18.908 22.418 16.0759 GPRESSAVG: 4091800 -26.8049 -12.887 21.1745 -11.5028 11.7804 24.4882 17.4748 20.9661 15.8261 TIMING: 4091800 CPU: 11849.4, 0.00287159/step Wall: 11849.4, 0.00287159/step, 0.724439 hours remaining, 212.492188 MB of memory in use. ENERGY: 4091800 719.6149 2056.1377 1922.1360 108.3050 -206182.2515 17708.0561 0.0000 0.0000 34151.8091 -149516.1926 298.2562 -183668.0018 -149416.7943 298.1761 18.8439 51.2591 556131.7401 0.3238 0.2672 PRESSURE: 4092000 -20.5818 43.6443 46.5598 43.6447 76.4846 -14.3262 46.5615 -14.3264 -117.754 GPRESSURE: 4092000 -12.0426 13.7177 51.3991 89.9364 130.422 -30.636 -58.4148 22.2133 -71.3634 PRESSAVG: 4092000 -11.5556 -12.5994 28.9495 -12.5995 25.0656 -5.43329 28.9495 -5.43319 22.6145 GPRESSAVG: 4092000 -12.8144 -12.1206 29.813 -15.4121 24.6488 -5.94199 27.9726 -5.92869 24.2504 TIMING: 4092000 CPU: 11850, 0.00286686/step Wall: 11850, 0.00286686/step, 0.723085 hours remaining, 212.492188 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: 4092000 735.5345 2050.5675 1931.3174 101.4116 -206128.5565 17739.7109 0.0000 0.0000 34078.4092 -149491.6055 297.6152 -183570.0147 -149395.1911 298.2157 -20.6170 15.6721 557034.3978 12.0415 12.0283 PRESSURE: 4092200 7.1412 64.3246 -29.3115 64.324 -52.6522 56.5788 -29.3117 56.5796 -3.64269 GPRESSURE: 4092200 -3.89359 7.40855 -100.012 62.563 -12.87 99.4367 37.3145 6.95066 59.748 PRESSAVG: 4092200 -12.7064 -24.4957 37.5984 -24.4956 -48.8379 43.3644 37.5983 43.3646 12.7455 GPRESSAVG: 4092200 -11.9664 -24.5731 37.5834 -24.8693 -49.5896 42.2011 37.278 43.54 12.3936 TIMING: 4092200 CPU: 11850.5, 0.00287236/step Wall: 11850.5, 0.00287236/step, 0.724314 hours remaining, 212.492188 MB of memory in use. ENERGY: 4092200 716.7129 2099.6920 1938.5547 108.3999 -206452.5528 17865.9038 0.0000 0.0000 34123.6925 -149599.5970 298.0107 -183723.2895 -149506.8019 298.0295 -16.3845 14.3281 556888.0325 -16.2663 -16.3875 LDB: ============= START OF LOAD BALANCING ============== 11853.9 LDB: ============== END OF LOAD BALANCING =============== 11853.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11853.9 LDB: ============= START OF LOAD BALANCING ============== 11854.2 LDB: Largest compute 4773 load 0.024059 is 20.4% of average load 0.118037 LDB: Average compute 0.001724 is 1.5% of average load 0.118037 LDB: TIME 11854.2 LOAD: AVG 0.118037 MAX 0.18066 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.777 MB LDB: TIME 11854.2 LOAD: AVG 0.118037 MAX 0.18066 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.848 MB LDB: TIME 11854.2 LOAD: AVG 0.118037 MAX 0.18066 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.848 MB LDB: ============== END OF LOAD BALANCING =============== 11854.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11854.2 PRESSURE: 4092400 -55.4627 64.9992 101.484 64.9992 57.2365 5.01606 101.484 5.01652 257.102 GPRESSURE: 4092400 -47.429 63.4956 77.5833 106.122 128.859 -69.8152 79.1236 31.8635 267.969 PRESSAVG: 4092400 30.1993 -42.132 -34.3443 -42.1319 -9.57971 -0.154955 -34.3442 -0.15498 30.644 GPRESSAVG: 4092400 30.0712 -41.6577 -35.7618 -42.4794 -10.0006 -1.70286 -34.4894 4.06633 30.2612 TIMING: 4092400 CPU: 11851.1, 0.00294471/step Wall: 11851.1, 0.00294471/step, 0.742394 hours remaining, 211.457031 MB of memory in use. ENERGY: 4092400 733.5217 2056.6048 1929.7221 108.0489 -206478.6430 18061.1697 0.0000 0.0000 34219.0489 -149370.5270 298.8435 -183589.5758 -149275.0112 298.2370 86.2921 116.4664 558033.8004 17.0879 16.7773 PRESSURE: 4092600 -154.439 -46.3156 122.898 -46.3169 85.731 -19.4498 122.898 -19.4486 262.71 GPRESSURE: 4092600 -115.459 -95.1675 142.481 -6.09987 139.931 -0.680935 92.6725 4.81484 271.058 PRESSAVG: 4092600 -50.3677 14.9984 48.2402 14.9984 -51.5188 -12.0346 48.2403 -12.0346 86.5714 GPRESSAVG: 4092600 -49.9233 13.671 48.4036 17.6115 -51.3233 -11.546 49.9274 -14.5717 86.1803 TIMING: 4092600 CPU: 11851.7, 0.00290268/step Wall: 11851.7, 0.00290268/step, 0.731637 hours remaining, 211.457031 MB of memory in use. ENERGY: 4092600 732.2100 2054.3645 1940.5979 117.1772 -206617.8971 17974.1870 0.0000 0.0000 34242.8954 -149556.4650 299.0517 -183799.3605 -149455.4818 297.8740 64.6675 98.5100 558916.8739 -5.1050 -5.0221 PRESSURE: 4092800 -327.784 201.594 -82.7713 201.594 3.24103 73.2765 -82.7717 73.2772 -41.8642 GPRESSURE: 4092800 -317.921 222.951 -27.7476 195.582 12.1109 -9.50729 -154.005 122.65 30.6383 PRESSAVG: 4092800 -74.0061 -4.04645 18.2651 -4.04643 34.0514 -40.2986 18.2651 -40.2984 27.2911 GPRESSAVG: 4092800 -74.2243 -4.83111 20.203 -4.73906 34.8066 -39.7971 15.7554 -39.9353 26.6587 TIMING: 4092800 CPU: 11852.3, 0.00288762/step Wall: 11852.3, 0.00288762/step, 0.72768 hours remaining, 211.457031 MB of memory in use. ENERGY: 4092800 733.6738 2039.4099 1975.3068 105.5488 -206240.9680 17709.5141 0.0000 0.0000 34165.0260 -149512.4886 298.3717 -183677.5146 -149416.4363 298.1126 -122.1358 -91.7238 558313.1479 -4.2212 -4.2530 PRESSURE: 4093000 -308.978 123.968 -221.475 123.968 -109.597 -51.4409 -221.475 -51.4396 74.4783 GPRESSURE: 4093000 -253.048 138.867 -196.056 152.922 -79.6345 -58.8431 -189.536 -63.6785 100.221 PRESSAVG: 4093000 -1.86447 -1.63607 11.3832 -1.63608 12.7769 29.9541 11.3833 29.9541 -25.3101 GPRESSAVG: 4093000 -1.91386 0.0978838 10.271 -1.44604 12.1456 29.1609 14.1414 29.9682 -24.5607 TIMING: 4093000 CPU: 11852.9, 0.00289773/step Wall: 11852.9, 0.00289773/step, 0.730068 hours remaining, 211.457031 MB of memory in use. ENERGY: 4093000 709.3722 2012.4931 1957.9032 107.0234 -206166.5770 17610.8591 0.0000 0.0000 34356.5283 -149412.3976 300.0441 -183768.9259 -149312.2342 298.5636 -114.6989 -77.4872 558686.7351 -4.7992 -4.7763 PRESSURE: 4093200 115.468 -24.8494 -62.8947 -24.8501 -128.71 -87.1274 -62.8947 -87.1263 -77.1111 GPRESSURE: 4093200 163.365 -175.279 12.0865 70.6549 -101.036 -91.1578 -48.6676 -134.763 -58.2536 PRESSAVG: 4093200 -6.96554 16.2685 -39.8511 16.2685 -24.4059 -0.689638 -39.8512 -0.689605 43.0683 GPRESSAVG: 4093200 -6.34821 16.0079 -41.2467 14.6242 -23.9637 -0.710346 -39.1216 -1.59427 41.7317 TIMING: 4093200 CPU: 11853.4, 0.0028771/step Wall: 11853.4, 0.0028771/step, 0.724709 hours remaining, 211.457031 MB of memory in use. ENERGY: 4093200 725.7736 2084.9825 1956.7064 137.6924 -206152.6054 17834.6864 0.0000 0.0000 34181.5301 -149231.2340 298.5158 -183412.7641 -149129.1590 299.0897 -30.1176 1.3585 557632.7604 3.8990 3.8066 PRESSURE: 4093400 184.316 161.455 -21.1034 161.455 -227.529 -48.7947 -21.1036 -48.796 71.9413 GPRESSURE: 4093400 209.995 191.773 -34.3421 167.029 -208.799 -79.1368 -56.1285 -20.6288 130.77 PRESSAVG: 4093400 43.6583 8.72826 -28.7361 8.72832 -69.9772 -42.6319 -28.7361 -42.6318 10.3893 GPRESSAVG: 4093400 43.8078 11.0024 -28.9675 8.00675 -71.7022 -39.7597 -28.7828 -44.0576 11.5227 TIMING: 4093400 CPU: 11854, 0.00289361/step Wall: 11854, 0.00289361/step, 0.728707 hours remaining, 211.457031 MB of memory in use. ENERGY: 4093400 722.7277 2028.4358 1976.3462 111.2028 -206086.6205 17721.4759 0.0000 0.0000 34271.0274 -149255.4046 299.2974 -183526.4320 -149156.8808 298.1680 9.5761 43.9888 558421.5981 -5.3098 -5.4573 PRESSURE: 4093600 -132.463 -62.3736 39.9692 -62.3724 -17.7649 151.636 39.9699 151.637 -162.246 GPRESSURE: 4093600 -101.708 -76.186 18.1616 -13.5957 47.1898 71.4184 95.8268 148.839 -160.108 PRESSAVG: 4093600 45.3037 46.2521 7.03566 46.2521 17.3751 -9.1758 7.03561 -9.17582 -63.9796 GPRESSAVG: 4093600 45.6056 45.1947 8.2886 47.6029 18.3988 -10.4908 4.8654 -8.5918 -65.9618 TIMING: 4093600 CPU: 11854.6, 0.00288032/step Wall: 11854.6, 0.00288032/step, 0.7252 hours remaining, 211.457031 MB of memory in use. ENERGY: 4093600 768.4861 2078.7457 1957.6056 110.4631 -206031.5250 17670.4098 0.0000 0.0000 34283.0989 -149162.7159 299.4028 -183445.8147 -149067.1446 298.8972 -104.1581 -71.5419 555679.8791 -0.4336 -0.6525 PRESSURE: 4093800 -119.331 -170.977 22.6533 -170.978 -70.0321 24.9128 22.6529 24.914 -34.6198 GPRESSURE: 4093800 -56.2171 -144.572 19.1282 -172.432 -57.4042 51.5225 17.1553 58.3602 -16.0265 PRESSAVG: 4093800 -64.1478 0.906632 13.2613 0.906562 21.9495 20.0995 13.2613 20.0996 -23.3265 GPRESSAVG: 4093800 -65.0194 1.78637 12.2831 0.492201 21.666 19.7567 14.9792 19.7799 -21.6193 TIMING: 4093800 CPU: 11855.2, 0.00290438/step Wall: 11855.2, 0.00290438/step, 0.731096 hours remaining, 211.457031 MB of memory in use. ENERGY: 4093800 753.1537 2044.9412 1958.3673 108.1330 -206388.3298 17879.7423 0.0000 0.0000 34402.7599 -149241.2324 300.4479 -183643.9923 -149145.1348 299.9359 -74.6610 -43.2159 557654.7445 -21.8416 -21.6576 PRESSURE: 4094000 145.735 -49.7441 -27.3147 -49.7446 388.649 -204.934 -27.3146 -204.934 170.213 GPRESSURE: 4094000 209.484 42.2051 2.74171 0.998426 446.989 -85.1054 27.8898 -310.798 144.43 PRESSAVG: 4094000 21.5657 54.8546 12.8445 54.8546 -28.0231 26.634 12.8447 26.634 -12.3273 GPRESSAVG: 4094000 21.5182 53.8869 13.7824 56.7162 -26.7261 25.8362 12.6222 26.3442 -12.6204 TIMING: 4094000 CPU: 11855.7, 0.00288933/step Wall: 11855.7, 0.00288933/step, 0.727149 hours remaining, 211.457031 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: 4094000 720.3936 2072.3021 1960.0794 108.2237 -206348.6049 18143.4758 0.0000 0.0000 34149.1648 -149194.9655 298.2332 -183344.1303 -149103.0649 299.4768 234.8658 266.9678 557501.7381 -6.2616 -5.9428 PRESSURE: 4094200 70.9597 -91.2305 -9.85393 -91.2301 -17.7782 122.36 -9.85288 122.359 -165.964 GPRESSURE: 4094200 114.528 -76.336 6.12761 -119.339 39.0557 135.485 7.30744 161.339 -170.739 PRESSAVG: 4094200 13.7591 -18.6445 40.7436 -18.6446 -6.33998 -23.5702 40.7437 -23.5702 -13.4005 GPRESSAVG: 4094200 13.4095 -18.6345 39.412 -20.3959 -6.56259 -22.7715 38.9723 -22.5402 -13.2234 TIMING: 4094200 CPU: 11856.3, 0.00287314/step Wall: 11856.3, 0.00287314/step, 0.722913 hours remaining, 211.457031 MB of memory in use. ENERGY: 4094200 756.0162 2075.5072 1950.6158 100.2000 -206222.3130 17788.5277 0.0000 0.0000 34459.9656 -149091.4805 300.9474 -183551.4461 -148997.0793 299.8380 -37.5942 -5.7186 557244.7269 -1.9938 -2.1255 PRESSURE: 4094400 104.645 53.6222 -23.8742 53.6219 -84.6915 68.3983 -23.8754 68.3991 118.332 GPRESSURE: 4094400 106.088 -4.6131 -14.6218 104.823 -1.49543 72.5489 -65.5577 -7.88096 139.764 PRESSAVG: 4094400 -1.41314 21.6731 -27.0045 21.6732 6.06745 -3.80658 -27.0044 -3.8065 24.0083 GPRESSAVG: 4094400 -1.32471 19.6981 -25.9317 23.2964 5.35537 -5.13418 -27.0954 -3.29897 23.8281 TIMING: 4094400 CPU: 11856.9, 0.00287309/step Wall: 11856.9, 0.00287309/step, 0.722742 hours remaining, 211.457031 MB of memory in use. ENERGY: 4094400 713.1725 2088.4557 1945.6230 106.8315 -206103.9700 17832.6646 0.0000 0.0000 34353.1779 -149064.0447 300.0148 -183417.2227 -148960.3921 299.4577 46.0954 81.4524 557714.0679 9.5542 9.2863 PRESSURE: 4094600 -127.331 -38.1392 156.661 -38.1382 -251.196 130.935 156.661 130.935 -66.7049 GPRESSURE: 4094600 -68.4384 -17.8129 145.693 -108.299 -218.003 123.83 174.511 140.169 -46.0124 PRESSAVG: 4094600 81.5694 37.7974 -20.5538 37.7974 -69.3008 -2.57206 -20.5539 -2.57209 -0.0104319 GPRESSAVG: 4094600 80.7411 38.456 -19.919 36.379 -68.7948 -1.33793 -18.0183 -3.97005 0.180901 TIMING: 4094600 CPU: 11857.5, 0.00285935/step Wall: 11857.5, 0.00285935/step, 0.719126 hours remaining, 211.457031 MB of memory in use. ENERGY: 4094600 730.4305 2047.6920 1938.1855 104.0516 -205654.8272 17459.6238 0.0000 0.0000 34326.2992 -149048.5445 299.7801 -183374.8437 -148953.2763 299.2693 -148.4108 -110.8178 559705.0332 4.0860 4.0424 PRESSURE: 4094800 -56.3649 -1.22038 28.5963 -1.21921 -181.653 47.0056 28.5969 47.0037 -250.758 GPRESSURE: 4094800 -104.85 18.7749 30.4365 28.9568 -98.2408 64.4565 21.5132 70.0321 -183.746 PRESSAVG: 4094800 57.599 63.8894 -5.26926 63.8893 -15.9504 -22.1164 -5.26929 -22.1166 -43.1374 GPRESSAVG: 4094800 57.4367 65.3209 -6.80697 64.2558 -15.7495 -22.1698 -7.06746 -21.561 -43.6654 TIMING: 4094800 CPU: 11858, 0.00286176/step Wall: 11858, 0.00286176/step, 0.719573 hours remaining, 211.457031 MB of memory in use. ENERGY: 4094800 734.6572 2100.5495 1960.2276 107.5669 -205865.5255 17686.4021 0.0000 0.0000 34137.0462 -149139.0760 298.1273 -183276.1222 -149046.2258 299.8474 -162.9253 -128.9457 559633.0511 -0.4962 -0.6594 PRESSURE: 4095000 259.584 -19.8105 -54.2264 -19.8111 41.2434 -47.8179 -54.227 -47.8187 83.418 GPRESSURE: 4095000 295.393 14.2348 -156.179 -23.1117 56.9211 -9.35945 7.51379 -1.4622 132.249 PRESSAVG: 4095000 46.3138 17.5329 28.154 17.5329 43.7675 -13.4236 28.154 -13.4237 -95.9899 GPRESSAVG: 4095000 47.144 16.4325 28.1103 16.6845 42.4559 -14.8906 30.4197 -11.2759 -95.6806 TIMING: 4095000 CPU: 11858.6, 0.00284734/step Wall: 11858.6, 0.00284734/step, 0.715789 hours remaining, 211.457031 MB of memory in use. ENERGY: 4095000 693.2082 2044.4977 1954.6036 113.9875 -206276.4881 17892.4909 0.0000 0.0000 34406.5043 -149171.1959 300.4806 -183577.7002 -149077.5974 299.0391 128.0816 161.5212 556926.9139 -1.9696 -2.0269 PRESSURE: 4095200 69.5285 -48.9522 -187.439 -48.9514 -45.4252 32.1348 -187.437 32.1358 -164.819 GPRESSURE: 4095200 59.8444 -62.4356 -130.96 -25.1131 23.982 47.272 -217.97 46.1594 -135.912 PRESSAVG: 4095200 122.514 19.0156 -11.0518 19.0156 36.0437 41.8463 -11.0518 41.8461 -103.707 GPRESSAVG: 4095200 121.684 20.5266 -8.98215 18.3965 36.7432 44.3237 -11.7513 39.2939 -104.238 TIMING: 4095200 CPU: 11859.2, 0.00287774/step Wall: 11859.2, 0.00287774/step, 0.723273 hours remaining, 211.457031 MB of memory in use. ENERGY: 4095200 797.7340 2088.5591 1933.2667 111.9275 -206254.0865 17892.9404 0.0000 0.0000 34162.5386 -149267.1203 298.3499 -183429.6589 -149179.2653 299.0542 -46.9053 -17.3618 557927.7372 18.2835 18.0630 PRESSURE: 4095400 -22.8046 -40.1612 -31.8427 -40.1614 -100.79 -43.513 -31.8419 -43.5114 -267.365 GPRESSURE: 4095400 16.7588 -59.2425 10.881 -91.328 -130.89 -86.1063 29.3148 -88.3385 -161.235 PRESSAVG: 4095400 47.154 -2.28945 0.431988 -2.28934 0.0364395 -16.1863 0.431983 -16.1862 -27.5853 GPRESSAVG: 4095400 47.0942 -2.69083 -0.429887 -1.46082 0.541658 -17.7073 -2.00622 -15.7769 -27.1647 TIMING: 4095400 CPU: 11859.8, 0.00287217/step Wall: 11859.8, 0.00287217/step, 0.721713 hours remaining, 211.457031 MB of memory in use. ENERGY: 4095400 750.9533 2112.5160 1947.0273 109.8320 -206338.0699 17937.5398 0.0000 0.0000 34236.0863 -149244.1152 298.9923 -183480.2015 -149142.6280 299.2787 -130.3200 -91.7885 558718.8041 6.5350 6.8237 PRESSURE: 4095600 -167.987 32.7798 -11.4198 32.7801 -360.502 122.339 -11.4208 122.339 19.6635 GPRESSURE: 4095600 -168.721 -15.5997 17.4938 13.9312 -273.849 105.617 14.3374 118.519 21.7881 PRESSAVG: 4095600 40.3499 30.6439 4.39738 30.644 -73.6995 -27.5915 4.3973 -27.5913 -15.2007 GPRESSAVG: 4095600 40.9275 31.0918 3.38345 29.4368 -73.1557 -26.9954 3.05401 -27.0303 -16.2476 TIMING: 4095600 CPU: 11860.3, 0.00288055/step Wall: 11860.3, 0.00288055/step, 0.723658 hours remaining, 211.457031 MB of memory in use. ENERGY: 4095600 731.9871 2080.7190 1940.5374 106.9750 -205959.2100 17593.9165 0.0000 0.0000 34101.1032 -149403.9717 297.8134 -183505.0749 -149304.7129 298.3670 -169.6083 -140.2604 559422.3276 -16.1835 -16.1586 PRESSURE: 4095800 127.542 25.9044 200.896 25.9049 -126.101 116.469 200.898 116.47 -156.942 GPRESSURE: 4095800 69.7834 -19.3902 184.863 60.1667 -23.2261 97.6331 295.292 37.1879 -96.4644 PRESSAVG: 4095800 -15.1015 49.7194 2.88437 49.7195 -9.96257 -43.0205 2.88439 -43.0206 -17.5927 GPRESSAVG: 4095800 -15.0737 47.0102 3.09765 49.9073 -11.5841 -43.9358 5.30069 -42.1641 -15.822 TIMING: 4095800 CPU: 11860.9, 0.00287067/step Wall: 11860.9, 0.00287067/step, 0.721017 hours remaining, 211.457031 MB of memory in use. ENERGY: 4095800 751.9577 2067.5357 1934.4096 111.8753 -206315.5317 17864.3344 0.0000 0.0000 34189.8465 -149395.5724 298.5884 -183585.4190 -149302.5758 298.9762 -51.8337 -16.6357 559045.3039 -14.2189 -14.1599 PRESSURE: 4096000 350.394 -93.7796 35.8311 -93.7781 92.4095 86.0739 35.8307 86.0726 -49.8588 GPRESSURE: 4096000 397.738 -45.2786 1.88505 -103.485 119.931 30.0314 83.3708 70.1811 -40.3544 PRESSAVG: 4096000 -23.4056 -21.3907 9.44615 -21.3908 -8.16161 12.3995 9.44615 12.3996 37.6701 GPRESSAVG: 4096000 -24.8138 -21.2694 9.7926 -20.2386 -5.4909 13.1634 9.34367 11.7727 36.1938 TIMING: 4096000 CPU: 11861.5, 0.00286865/step Wall: 11861.5, 0.00286865/step, 0.720351 hours remaining, 211.457031 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: 4096000 737.4386 2086.6323 1963.7588 104.4771 -206456.5578 18070.9592 0.0000 0.0000 34019.6240 -149473.6678 297.1018 -183493.2918 -149381.2160 298.4165 130.9815 159.1050 556630.6745 2.0343 1.9630 PRESSURE: 4096200 211.129 -148.168 272.926 -148.167 -146.739 31.5848 272.926 31.5853 62.8268 GPRESSURE: 4096200 241.821 -60.212 161.898 -212.89 -99.3817 -26.3082 263.619 28.3305 78.5363 PRESSAVG: 4096200 10.5468 -33.3106 60.1068 -33.3106 25.5389 -40.0003 60.1068 -40.0002 -12.5561 GPRESSAVG: 4096200 11.3122 -31.5173 59.4128 -33.3762 24.4575 -40.4474 59.1799 -39.5422 -12.7281 TIMING: 4096200 CPU: 11862.1, 0.00286223/step Wall: 11862.1, 0.00286223/step, 0.718579 hours remaining, 211.457031 MB of memory in use. ENERGY: 4096200 769.3577 2046.7886 1939.5104 118.6113 -206667.8223 18047.1499 0.0000 0.0000 34316.0299 -149430.3745 299.6904 -183746.4044 -149335.2942 298.7295 42.4054 73.6587 556031.7375 7.8432 7.6805 LDB: ============= START OF LOAD BALANCING ============== 11865.4 LDB: ============== END OF LOAD BALANCING =============== 11865.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11865.4 LDB: ============= START OF LOAD BALANCING ============== 11865.7 LDB: Largest compute 4773 load 0.024883 is 21.1% of average load 0.118113 LDB: Average compute 0.001731 is 1.5% of average load 0.118113 LDB: TIME 11865.7 LOAD: AVG 0.118113 MAX 0.177968 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.328 MB LDB: TIME 11865.7 LOAD: AVG 0.118113 MAX 0.177968 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: TIME 11865.7 LOAD: AVG 0.118113 MAX 0.177968 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11865.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11865.7 PRESSURE: 4096400 -249.287 119.374 43.8078 119.375 -109.415 -64.7358 43.8079 -64.7357 27.403 GPRESSURE: 4096400 -206.237 187.142 130.487 30.7846 -53.2706 -108.276 -63.7645 -59.2602 42.946 PRESSAVG: 4096400 -35.9303 -10.3016 23.7359 -10.3016 -56.0045 -6.25356 23.7359 -6.25355 48.8828 GPRESSAVG: 4096400 -36.4585 -10.7221 24.8403 -10.4254 -56.1019 -6.22526 23.4896 -6.26166 49.8159 TIMING: 4096400 CPU: 11862.6, 0.0029227/step Wall: 11862.6, 0.0029227/step, 0.733597 hours remaining, 212.406250 MB of memory in use. ENERGY: 4096400 739.8729 2077.4363 1984.6630 106.5547 -205949.6785 17523.0937 0.0000 0.0000 34121.4520 -149396.6058 297.9911 -183518.0577 -149300.2372 298.4562 -110.4331 -72.1872 557214.5787 -14.3507 -14.2482 PRESSURE: 4096600 -192.645 8.21249 88.2722 8.21246 -87.4199 -24.059 88.2727 -24.0578 -230.151 GPRESSURE: 4096600 -149.165 -41.1489 84.2232 24.2431 -33.2205 -35.9098 143.038 -62.3516 -227.952 PRESSAVG: 4096600 -4.23779 -11.504 -20.6595 -11.5041 4.68997 12.7194 -20.6595 12.7193 5.47691 GPRESSAVG: 4096600 -2.69834 -11.7877 -22.0029 -10.1472 3.63361 13.7695 -20.2209 12.0476 5.1884 TIMING: 4096600 CPU: 11863.2, 0.00285335/step Wall: 11863.2, 0.00285335/step, 0.716033 hours remaining, 212.609375 MB of memory in use. ENERGY: 4096600 747.6429 2043.1366 1946.6028 124.9283 -206180.5221 17689.8768 0.0000 0.0000 34204.8871 -149423.4476 298.7198 -183628.3347 -149321.2104 298.9092 -170.0721 -136.7790 557832.0907 1.9764 2.0412 PRESSURE: 4096800 -8.30851 119.109 24.8928 119.11 -42.3237 -18.0236 24.894 -18.0238 -66.701 GPRESSURE: 4096800 16.9579 94.7645 85.9145 196.205 -30.6157 -16.4554 -16.4565 13.7585 -3.20094 PRESSAVG: 4096800 1.24729 -33.1901 1.23676 -33.1901 1.7981 32.2484 1.23674 32.2484 -3.20753 GPRESSAVG: 4096800 0.873327 -34.0819 2.58335 -33.9969 2.33635 32.309 -0.0446343 31.7142 -3.32672 TIMING: 4096800 CPU: 11863.8, 0.00287723/step Wall: 11863.8, 0.00287723/step, 0.721864 hours remaining, 212.609375 MB of memory in use. ENERGY: 4096800 741.3055 2080.3776 1962.5924 110.6181 -206492.9584 18099.2193 0.0000 0.0000 34133.1783 -149365.6672 298.0935 -183498.8455 -149267.2332 298.6224 -39.1110 -5.6196 559321.3043 -0.0540 -0.0390 PRESSURE: 4097000 -248.716 -20.1474 65.5841 -20.1464 -243.753 -34.6626 65.5846 -34.6622 -332.232 GPRESSURE: 4097000 -195.288 35.1609 23.8164 -112.865 -245.518 -39.2769 70.9068 -60.1248 -269.152 PRESSAVG: 4097000 -33.1596 15.4334 11.9021 15.4335 -14.717 51.7852 11.902 51.7852 89.4751 GPRESSAVG: 4097000 -33.0774 16.7825 9.98537 13.925 -14.0682 50.9118 14.2348 54.2083 89.4187 TIMING: 4097000 CPU: 11864.4, 0.00286882/step Wall: 11864.4, 0.00286882/step, 0.719595 hours remaining, 212.609375 MB of memory in use. ENERGY: 4097000 758.2649 2065.9720 1963.7271 117.7349 -205486.2416 17231.1302 0.0000 0.0000 34146.7805 -149202.6321 298.2123 -183349.4125 -149112.4827 298.4731 -274.9004 -236.6527 558609.7982 13.8662 14.0910 PRESSURE: 4097200 -314.369 15.2512 -40.9556 15.2524 -92.2183 207.83 -40.9548 207.831 -18.9032 GPRESSURE: 4097200 -287.726 -69.258 -105.016 17.3045 -32.9525 150.973 16.7668 223.843 7.18216 PRESSAVG: 4097200 -17.9225 10.1725 -40.1263 10.1725 -36.0461 69.4478 -40.1263 69.4477 32.0607 GPRESSAVG: 4097200 -19.0649 11.4509 -39.9305 11.4005 -35.2157 68.1371 -40.8055 69.3629 31.8445 TIMING: 4097200 CPU: 11864.9, 0.00287587/step Wall: 11864.9, 0.00287587/step, 0.721203 hours remaining, 212.609375 MB of memory in use. ENERGY: 4097200 752.1768 2051.4436 1975.1847 131.1227 -206041.5757 17890.4737 0.0000 0.0000 34042.0251 -149199.1489 297.2975 -183241.1740 -149100.5553 298.9039 -141.8300 -104.4986 560222.5916 -7.3026 -7.4787 PRESSURE: 4097400 -76.4688 -69.2944 164.584 -69.2941 -98.7524 215.381 164.584 215.382 -192.549 GPRESSURE: 4097400 -59.43 -80.2976 83.3544 -16.8278 -43.3706 149.622 204.886 224.6 -173.374 PRESSAVG: 4097400 3.2878 35.0564 57.1377 35.0565 -50.9289 59.571 57.1377 59.571 25.9896 GPRESSAVG: 4097400 5.08746 36.5851 54.2284 34.155 -51.5746 59.0861 56.7098 58.8525 24.8367 TIMING: 4097400 CPU: 11865.5, 0.00287028/step Wall: 11865.5, 0.00287028/step, 0.719642 hours remaining, 212.609375 MB of memory in use. ENERGY: 4097400 742.8810 2117.1629 1969.2083 125.0080 -206060.3117 17784.4962 0.0000 0.0000 34052.9218 -149268.6333 297.3926 -183321.5552 -149179.5217 298.8406 -122.5901 -92.0584 560000.3606 -7.2171 -7.2168 PRESSURE: 4097600 135.064 205.681 -173.261 205.68 258.258 21.544 -173.261 21.5442 77.5689 GPRESSURE: 4097600 201.626 228.345 -185.756 304.649 257.066 -13.9205 -158.3 132.669 120.213 PRESSAVG: 4097600 27.6317 44.2291 41.2535 44.2291 40.9893 56.314 41.2534 56.314 -17.2137 GPRESSAVG: 4097600 28.1225 43.1867 43.6411 43.8559 41.3032 58.1396 42.5939 56.7656 -17.6064 TIMING: 4097600 CPU: 11866.1, 0.00287905/step Wall: 11866.1, 0.00287905/step, 0.721681 hours remaining, 212.609375 MB of memory in use. ENERGY: 4097600 726.8471 2063.8506 1949.2206 110.1745 -206333.3170 18055.3975 0.0000 0.0000 34283.6659 -149144.1607 299.4078 -183427.8267 -149056.1867 298.4870 156.9636 192.9684 556334.8961 17.1358 17.2731 PRESSURE: 4097800 -104.697 48.358 61.2073 48.3579 -343.353 94.4117 61.2069 94.4104 -521.316 GPRESSURE: 4097800 -40.005 39.3589 80.3338 -68.2516 -332.285 26.7128 42.9835 120.074 -504.703 PRESSAVG: 4097800 44.7784 -0.693171 -2.38001 -0.693153 25.9139 73.3569 -2.38011 73.3569 -68.3214 GPRESSAVG: 4097800 43.4452 -1.34707 -2.29965 -1.28563 24.9248 71.0225 -4.93367 73.3571 -66.7816 TIMING: 4097800 CPU: 11866.7, 0.00287908/step Wall: 11866.7, 0.00287908/step, 0.72153 hours remaining, 212.609375 MB of memory in use. ENERGY: 4097800 787.9103 2030.1024 1943.0721 107.3031 -205813.3616 17606.9231 0.0000 0.0000 34318.9254 -149019.1251 299.7157 -183338.0506 -148922.8537 299.0452 -323.1220 -292.3312 558771.6954 0.7903 0.5295 PRESSURE: 4098000 -108.175 112.653 35.3464 112.653 -180.548 -18.0494 35.3463 -18.0512 -289.707 GPRESSURE: 4098000 -106.183 142.566 13.0649 72.6584 -174.966 21.0507 52.7866 10.4769 -211.817 PRESSAVG: 4098000 62.9424 5.96948 -13.3125 5.96955 6.93801 17.1805 -13.3126 17.1806 -42.6489 GPRESSAVG: 4098000 64.1365 7.88904 -13.5259 5.39002 6.92399 19.3313 -14.0423 15.1484 -43.6178 TIMING: 4098000 CPU: 11867.2, 0.0028693/step Wall: 11867.2, 0.0028693/step, 0.718919 hours remaining, 212.609375 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: 4098000 745.3621 2068.7179 1938.5311 108.9867 -205821.6575 17595.9889 0.0000 0.0000 34368.5664 -148995.5044 300.1492 -183364.0709 -148893.0905 299.7494 -192.8099 -164.3222 557862.1148 9.0772 9.1476 PRESSURE: 4098200 -191.647 118.395 -107.661 118.394 -159.462 2.11942 -107.66 2.11784 -47.3489 GPRESSURE: 4098200 -154.28 100.747 -107.052 95.4492 -131.392 -4.59191 -120.658 19.186 -16.1292 PRESSAVG: 4098200 -44.1429 17.6404 27.6921 17.6405 7.21933 -25.6164 27.6922 -25.6163 4.44328 GPRESSAVG: 4098200 -45.1182 15.2905 27.0847 20.3494 7.29543 -24.3999 29.6608 -27.1753 5.36075 TIMING: 4098200 CPU: 11867.8, 0.00287902/step Wall: 11867.8, 0.00287902/step, 0.721195 hours remaining, 212.609375 MB of memory in use. ENERGY: 4098200 764.5426 2074.7285 1934.7420 114.3987 -205985.8290 17719.4732 0.0000 0.0000 34260.2177 -149117.7262 299.2030 -183377.9439 -149018.9142 299.5354 -132.8192 -100.6004 558395.7699 -10.8268 -10.8207 PRESSURE: 4098400 -25.9073 29.3063 -14.692 29.3062 -130.265 -51.3256 -14.6906 -51.3247 -386.969 GPRESSURE: 4098400 -15.6541 -10.3342 -13.1514 -18.3588 -61.0311 -77.7171 -19.7146 5.71915 -356.59 PRESSAVG: 4098400 11.6104 41.8519 -63.8172 41.8517 21.202 15.2976 -63.8171 15.2975 11.8497 GPRESSAVG: 4098400 11.0669 40.3217 -62.4966 42.1331 20.3034 12.745 -65.1195 18.3774 12.8574 TIMING: 4098400 CPU: 11868.4, 0.00286987/step Wall: 11868.4, 0.00286987/step, 0.718742 hours remaining, 212.609375 MB of memory in use. ENERGY: 4098400 742.0373 2098.2817 1953.7446 117.8983 -205930.6168 17661.4514 0.0000 0.0000 34145.3616 -149211.8418 298.1999 -183357.2034 -149111.5778 299.0143 -181.0471 -144.4250 559184.4894 14.8874 14.7426 PRESSURE: 4098600 -131.113 -216.203 12.8211 -216.203 -222.09 230.065 12.8222 230.066 10.9263 GPRESSURE: 4098600 -153.92 -183.296 4.71528 -175.303 -177.898 246.081 14.8917 204.086 82.5801 PRESSAVG: 4098600 46.0774 55.9246 -18.0726 55.9246 -56.7188 19.2856 -18.0727 19.2856 15.0824 GPRESSAVG: 4098600 45.3468 57.9381 -18.103 55.8415 -56.3696 19.8562 -17.065 17.7116 15.2115 TIMING: 4098600 CPU: 11869, 0.00286884/step Wall: 11869, 0.00286884/step, 0.718325 hours remaining, 212.609375 MB of memory in use. ENERGY: 4098600 736.3983 2066.2965 1969.6820 108.4657 -205945.9915 17744.6240 0.0000 0.0000 34069.4426 -149251.0824 297.5369 -183320.5250 -149147.4028 298.7667 -114.0923 -83.0793 557562.7214 1.4803 1.3963 PRESSURE: 4098800 -95.7548 81.4352 -33.6863 81.4347 5.56204 -9.69744 -33.687 -9.69494 42.7007 GPRESSURE: 4098800 -17.4472 75.7387 -100.452 99.7823 55.8697 -45.7619 82.7226 -4.52597 13.1476 PRESSAVG: 4098800 75.897 57.2716 -21.0123 57.2716 -39.0323 12.7124 -21.0124 12.7125 1.55378 GPRESSAVG: 4098800 76.7607 56.8144 -21.7577 56.3721 -38.4844 13.8269 -21.9796 12.5552 -0.42104 TIMING: 4098800 CPU: 11869.5, 0.0028594/step Wall: 11869.5, 0.0028594/step, 0.715802 hours remaining, 212.609375 MB of memory in use. ENERGY: 4098800 721.8079 2059.5457 1957.3527 95.5913 -205783.8853 17603.7555 0.0000 0.0000 34226.9666 -149118.8656 298.9126 -183345.8322 -149024.0081 299.2279 -15.8307 17.1900 556279.3593 12.8062 12.6184 PRESSURE: 4099000 211.388 41.8723 35.7617 41.8722 241.877 92.7012 35.7612 92.7012 -62.7833 GPRESSURE: 4099000 191.117 18.2685 100.817 111.155 291.329 70.5399 -95.6869 63.9911 -7.49409 PRESSAVG: 4099000 27.0589 2.9206 16.843 2.92059 -11.6844 52.007 16.843 52.0069 -12.3632 GPRESSAVG: 4099000 26.2266 2.06925 14.9601 3.19645 -13.1717 50.6572 17.5919 52.5186 -10.4702 TIMING: 4099000 CPU: 11870.1, 0.00287402/step Wall: 11870.1, 0.00287402/step, 0.719303 hours remaining, 212.609375 MB of memory in use. ENERGY: 4099000 726.2730 2065.4773 1964.8160 101.9651 -206217.5368 17950.3052 0.0000 0.0000 34465.5215 -148943.1786 300.9960 -183408.7001 -148849.0722 299.8661 130.1606 158.3173 557418.7218 1.0038 0.8616 PRESSURE: 4099200 -85.6721 -193.86 -121.705 -193.861 -111.156 78.9601 -121.703 78.96 -50.6629 GPRESSURE: 4099200 -97.2702 -154.649 -107.662 -195.267 -29.0242 -15.7543 -126.878 73.0431 -20.3611 PRESSAVG: 4099200 -40.171 -11.7431 -23.3651 -11.7431 50.2415 12.728 -23.3651 12.7279 4.67527 GPRESSAVG: 4099200 -39.5143 -10.4629 -21.1399 -11.6038 50.0784 13.0657 -23.8978 12.3277 4.5242 TIMING: 4099200 CPU: 11870.7, 0.00285928/step Wall: 11870.7, 0.00285928/step, 0.715455 hours remaining, 212.609375 MB of memory in use. ENERGY: 4099200 763.5311 2041.8635 1959.2748 112.0200 -206144.9631 17833.8460 0.0000 0.0000 34498.9032 -148935.5244 301.2875 -183434.4277 -148842.2969 299.7611 -82.4971 -48.8852 558203.8101 4.9153 5.0294 PRESSURE: 4099400 -4.92784 114.762 -63.7265 114.763 58.6452 48.6746 -63.7277 48.6742 92.476 GPRESSURE: 4099400 55.6892 116.995 -37.1692 91.0903 112.004 4.8997 -85.752 54.0625 83.91 PRESSAVG: 4099400 33.3264 -31.7983 -14.9966 -31.7982 -14.1773 45.8893 -14.9967 45.8894 -31.9342 GPRESSAVG: 4099400 33.2603 -31.0015 -16.0666 -32.0674 -13.3572 44.3576 -12.9956 44.6928 -32.8931 TIMING: 4099400 CPU: 11871.2, 0.00285607/step Wall: 11871.2, 0.00285607/step, 0.714492 hours remaining, 212.609375 MB of memory in use. ENERGY: 4099400 730.8282 2070.9659 1969.6853 119.4460 -206423.5192 18017.9085 0.0000 0.0000 34266.1653 -149248.5201 299.2549 -183514.6853 -149151.3611 299.5650 48.7311 83.8678 557497.9123 -4.2617 -4.3300 PRESSURE: 4099600 36.0343 -9.22332 -15.7098 -9.22336 -149.08 -20.1026 -15.7113 -20.1025 -164.467 GPRESSURE: 4099600 14.0016 0.837231 -6.95696 -50.4292 -78.8436 -52.9666 -33.6946 36.2291 -101.913 PRESSAVG: 4099600 -3.64854 22.0514 -6.03523 22.0515 36.0823 7.09176 -6.03525 7.09163 -37.5021 GPRESSAVG: 4099600 -3.81619 20.6172 -4.74363 21.3662 36.3298 6.64226 -7.28767 8.87979 -36.8572 TIMING: 4099600 CPU: 11871.8, 0.00286227/step Wall: 11871.8, 0.00286227/step, 0.715887 hours remaining, 212.609375 MB of memory in use. ENERGY: 4099600 760.3647 2082.0347 1941.2676 108.4533 -206148.6453 17906.8182 0.0000 0.0000 34062.1686 -149287.5382 297.4734 -183349.7067 -149189.6581 299.4655 -92.5043 -55.5849 558528.9302 -1.6894 -1.4479 PRESSURE: 4099800 -106.761 -70.5524 -70.6929 -70.5527 74.6187 -21.7414 -70.6922 -21.7403 -209.432 GPRESSURE: 4099800 -85.1464 -86.4268 -84.0744 -50.0133 112.551 5.18423 -23.1379 -36.9992 -180.502 PRESSAVG: 4099800 2.93333 -14.5497 -35.8205 -14.5498 56.3699 -41.7977 -35.8207 -41.7977 -2.37447 GPRESSAVG: 4099800 2.2236 -12.4869 -37.0762 -14.8524 56.3198 -38.6686 -35.7961 -43.5755 -1.23808 TIMING: 4099800 CPU: 11872.4, 0.00288555/step Wall: 11872.4, 0.00288555/step, 0.721547 hours remaining, 212.609375 MB of memory in use. ENERGY: 4099800 727.2766 2064.1447 1935.4322 100.4539 -206068.5092 17734.1094 0.0000 0.0000 34336.1835 -149170.9089 299.8664 -183507.0924 -149063.3261 299.0830 -80.5250 -51.0324 558455.4107 18.9763 19.1018 WRITING COORDINATES TO DCD FILE MD.2.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 70.5002 -162.728 152.01 -162.728 -247.63 186.336 152.01 186.335 -49.0969 GPRESSURE: 4100000 96.1817 -97.0234 111.05 -138.997 -134.496 213.681 106.625 200.506 -78.1533 PRESSAVG: 4100000 -34.8742 -25.8063 -28.3558 -25.8063 -35.4934 27.8581 -28.3558 27.8581 56.6836 GPRESSAVG: 4100000 -34.1667 -26.5398 -26.6816 -24.5755 -35.6355 24.8614 -31.4231 29.3297 55.4298 TIMING: 4100000 CPU: 11873, 0.00297184/step Wall: 11873, 0.00297184/step, 0.742959 hours remaining, 212.734375 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: 4100000 756.3585 2094.7552 1937.3022 115.0484 -205893.5387 17619.9385 0.0000 0.0000 34191.5547 -149178.5812 298.6034 -183370.1359 -149081.5290 299.3077 -75.4087 -38.8224 558085.7444 -4.5613 -4.7908 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 PRESSURE: 4100200 -322.077 -102.51 66.4129 -102.509 -103.922 73.6595 66.4128 73.658 -402.442 GPRESSURE: 4100200 -260.386 -102.873 -19.5345 -76.9531 -117.693 157.841 98.5081 69.905 -349.571 PRESSAVG: 4100200 -24.1309 -31.7544 34.4679 -31.7543 -12.4341 47.6149 34.4679 47.6148 49.2885 GPRESSAVG: 4100200 -24.4499 -33.2069 34.5358 -30.766 -12.5453 50.623 36.5887 48.0004 49.6195 TIMING: 4100200 CPU: 11873.6, 0.0028772/step Wall: 11873.6, 0.0028772/step, 0.71914 hours remaining, 212.734375 MB of memory in use. ENERGY: 4100200 782.1646 2064.6054 1955.7022 109.0090 -205789.8815 17621.4779 0.0000 0.0000 34025.6002 -149231.3222 297.1540 -183256.9224 -149133.6609 299.4664 -276.1468 -242.5500 559935.4737 4.2412 4.2081 LDB: ============= START OF LOAD BALANCING ============== 11876.9 LDB: ============== END OF LOAD BALANCING =============== 11876.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11877 LDB: ============= START OF LOAD BALANCING ============== 11877.2 LDB: Largest compute 4773 load 0.025261 is 21.4% of average load 0.118094 LDB: Average compute 0.001735 is 1.5% of average load 0.118094 LDB: TIME 11877.2 LOAD: AVG 0.118094 MAX 0.178011 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 11877.2 LOAD: AVG 0.118094 MAX 0.178011 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 11877.2 LOAD: AVG 0.118094 MAX 0.178011 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: ============== END OF LOAD BALANCING =============== 11877.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11877.2 PRESSURE: 4100400 -65.8065 255.21 -105.786 255.21 -28.6 52.8412 -105.786 52.8406 -25.7268 GPRESSURE: 4100400 -3.06575 275.096 -89.4602 316.291 -53.6264 5.96963 -47.2603 113.179 30.2153 PRESSAVG: 4100400 -33.7449 -3.15086 31.4119 -3.15081 -36.9822 16.9486 31.4118 16.9486 13.5303 GPRESSAVG: 4100400 -33.2346 -2.42477 29.1069 -2.72841 -37.8104 15.054 32.4614 15.3817 13.9628 TIMING: 4100400 CPU: 11874.2, 0.00292476/step Wall: 11874.2, 0.00292476/step, 0.730864 hours remaining, 211.429688 MB of memory in use. ENERGY: 4100400 740.3381 2138.9898 1936.3932 120.1172 -206352.1923 17874.0216 0.0000 0.0000 34225.6081 -149316.7243 298.9007 -183542.3323 -149218.5359 298.9492 -40.0444 -8.8256 559376.7851 -19.0656 -19.0274 PRESSURE: 4100600 61.2463 -33.7212 -189.286 -33.7219 164.229 91.2447 -189.287 91.2454 127.541 GPRESSURE: 4100600 129.572 -49.1558 -236.368 21.5405 114.968 58.3858 -199.572 69.5582 196.727 PRESSAVG: 4100600 -23.2075 -1.5127 7.07331 -1.51269 4.76168 112.207 7.07329 112.207 11.0784 GPRESSAVG: 4100600 -23.5554 -2.41574 9.32351 -2.91791 4.5998 112.846 4.74514 113.256 11.1618 TIMING: 4100600 CPU: 11874.7, 0.00286654/step Wall: 11874.7, 0.00286653/step, 0.716156 hours remaining, 211.500000 MB of memory in use. ENERGY: 4100600 766.9627 2065.1810 1954.7027 100.3968 -206495.1332 18028.3035 0.0000 0.0000 34271.9879 -149307.5986 299.3058 -183579.5864 -149213.0256 298.6474 117.6721 147.0888 557324.5130 -2.4558 -2.5979 PRESSURE: 4100800 56.9236 -61.4475 207.425 -61.4464 15.2874 -9.98245 207.425 -9.98274 -35.8886 GPRESSURE: 4100800 68.7489 -115.401 184.665 -115.854 24.1987 59.4885 135.085 19.8984 39.2725 PRESSAVG: 4100800 -8.58633 44.0777 0.758529 44.0778 -14.7596 -11.6023 0.758577 -11.6022 50.4885 GPRESSAVG: 4100800 -9.68463 43.9215 0.295782 44.8211 -14.0188 -12.0412 1.36004 -13.7594 50.4609 TIMING: 4100800 CPU: 11875.3, 0.00287203/step Wall: 11875.3, 0.00287203/step, 0.71737 hours remaining, 211.500000 MB of memory in use. ENERGY: 4100800 756.8703 2086.8605 1950.9480 119.9949 -206790.9245 18079.0556 0.0000 0.0000 34438.7515 -149358.4437 300.7622 -183797.1952 -149271.9152 299.1521 12.1075 44.0734 557472.1904 9.0475 8.9192 PRESSURE: 4101000 161.382 107.835 28.2151 107.835 37.6736 -4.28844 28.2146 -4.28947 129.749 GPRESSURE: 4101000 227.082 102.946 -35.4335 142.968 67.1829 -48.2713 129.233 -16.2673 133.657 PRESSAVG: 4101000 9.87462 -5.41923 -20.8145 -5.41933 -56.8459 3.21784 -20.8145 3.21787 40.6788 GPRESSAVG: 4101000 10.5072 -7.1097 -19.5369 -4.48144 -56.9159 3.21859 -21.9056 5.17271 40.2224 TIMING: 4101000 CPU: 11875.9, 0.00290519/step Wall: 11875.9, 0.00290519/step, 0.72549 hours remaining, 211.500000 MB of memory in use. ENERGY: 4101000 728.2960 2161.2072 1931.3400 107.0616 -206312.4632 18045.5653 0.0000 0.0000 34094.3420 -149244.6511 297.7544 -183338.9931 -149146.8434 298.2876 109.6016 142.6405 558509.4018 -2.0975 -2.0621 PRESSURE: 4101200 -235.192 -210.6 -8.56925 -210.6 79.7891 -96.19 -8.56981 -96.1906 -289.522 GPRESSURE: 4101200 -215.187 -139.817 -35.9077 -231.717 149.794 -135.198 46.6382 -79.1207 -270.772 PRESSAVG: 4101200 36.8527 -28.7098 29.0211 -28.7097 9.23319 -30.3375 29.0212 -30.3375 -50.9197 GPRESSAVG: 4101200 37.3601 -25.9603 28.9384 -30.3697 8.99933 -29.3939 32.9858 -30.8566 -51.2371 TIMING: 4101200 CPU: 11876.5, 0.00288782/step Wall: 11876.5, 0.00288782/step, 0.720992 hours remaining, 211.500000 MB of memory in use. ENERGY: 4101200 766.7224 2062.1200 1968.6516 122.3178 -205880.1639 17636.3323 0.0000 0.0000 33999.3746 -149324.6453 296.9250 -183324.0199 -149223.8973 298.5880 -148.3083 -112.0549 557863.6414 -1.6113 -1.6259 PRESSURE: 4101400 -110.535 -54.708 71.5811 -54.7089 106.484 122.825 71.5809 122.825 108.718 GPRESSURE: 4101400 -34.506 -4.87488 39.0087 -63.1876 129.13 130.516 99.123 126.232 105.518 PRESSAVG: 4101400 -17.0801 -43.5846 9.21258 -43.5846 34.9043 -27.5004 9.21256 -27.5005 -8.90286 GPRESSAVG: 4101400 -16.6587 -43.4186 8.00162 -44.576 33.9744 -27.9021 7.86632 -29.7098 -8.21572 TIMING: 4101400 CPU: 11877, 0.00289382/step Wall: 11877, 0.00289382/step, 0.72233 hours remaining, 211.500000 MB of memory in use. ENERGY: 4101400 739.1368 2050.2651 1906.7683 113.6888 -206508.8124 17923.1815 0.0000 0.0000 34243.5090 -149532.2630 299.0571 -183775.7720 -149430.2011 298.4143 34.8892 66.7140 557224.6787 2.9738 3.0333 PRESSURE: 4101600 -139.357 109.993 -165.66 109.995 -71.1156 -5.73005 -165.66 -5.72846 171.687 GPRESSURE: 4101600 -25.2244 168.127 -133.169 56.1322 -53.8578 46.4343 -146.495 -14.7606 138.426 PRESSAVG: 4101600 -7.89462 -11.1872 30.9764 -11.1873 32.8146 2.36941 30.9763 2.36944 6.35456 GPRESSAVG: 4101600 -8.58131 -12.1072 32.4783 -11.5372 34.024 1.98048 30.4776 4.70103 5.64407 TIMING: 4101600 CPU: 11877.6, 0.00288699/step Wall: 11877.6, 0.00288699/step, 0.720463 hours remaining, 211.500000 MB of memory in use. ENERGY: 4101600 750.0531 2117.3495 1961.2942 114.9472 -206273.4210 17829.0648 0.0000 0.0000 34095.7464 -149404.9657 297.7666 -183500.7121 -149306.4098 298.4741 -12.9286 19.7814 555780.6021 10.4248 10.3622 PRESSURE: 4101800 92.3556 66.0268 139.44 66.0266 -39.4791 -37.0399 139.44 -37.0397 -18.5592 GPRESSURE: 4101800 164.197 34.1197 96.7347 87.4346 -37.9357 -112.837 165.474 -39.8192 -8.21315 PRESSAVG: 4101800 -10.3862 -2.37945 21.1973 -2.3794 -20.4496 -16.0487 21.1973 -16.0487 32.0164 GPRESSAVG: 4101800 -9.48856 -1.12695 20.084 -1.05889 -20.2662 -18.0544 21.7276 -15.2059 31.4893 TIMING: 4101800 CPU: 11878.2, 0.00287113/step Wall: 11878.2, 0.00287113/step, 0.716347 hours remaining, 211.500000 MB of memory in use. ENERGY: 4101800 759.5358 2064.4596 1947.7142 113.7565 -206254.5434 17682.8675 0.0000 0.0000 34198.1413 -149488.0685 298.6609 -183686.2098 -149388.4432 298.4812 11.4391 39.3495 555601.2076 0.3935 0.5782 PRESSURE: 4102000 -31.6579 -128.658 71.7882 -128.659 -51.1358 12.1473 71.7881 12.1464 32.931 GPRESSURE: 4102000 -3.82049 -28.8714 118.137 -114.004 -23.2175 -74.178 50.7235 -4.13229 79.8777 PRESSAVG: 4102000 30.4842 69.6097 32.1078 69.6097 -44.9498 10.9224 32.1077 10.9223 -21.8106 GPRESSAVG: 4102000 29.2976 71.5087 33.745 67.6898 -44.8318 11.4125 31.1655 9.42207 -20.4367 TIMING: 4102000 CPU: 11878.8, 0.00287465/step Wall: 11878.8, 0.00287465/step, 0.717065 hours remaining, 211.500000 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: 4102000 756.5927 1997.0622 1955.8747 108.2268 -206585.9086 17993.9356 0.0000 0.0000 34180.8795 -149593.3370 298.5101 -183774.2165 -149497.3696 298.6024 -16.6209 17.6132 557539.3930 -12.0920 -11.9903 PRESSURE: 4102200 148.425 -11.9649 64.4068 -11.9657 -31.4425 84.3697 64.4063 84.3715 -99.1047 GPRESSURE: 4102200 213.795 -17.5935 54.0375 -42.535 21.7348 40.9518 76.7486 109.078 -117.125 PRESSAVG: 4102200 3.81388 -53.9953 -20.4719 -53.9952 4.51586 -37.8955 -20.4719 -37.8954 -8.38475 GPRESSAVG: 4102200 5.23425 -56.6252 -21.7994 -51.8654 4.24022 -36.7604 -19.7114 -37.0391 -9.19047 TIMING: 4102200 CPU: 11879.3, 0.00287356/step Wall: 11879.3, 0.00287356/step, 0.716635 hours remaining, 211.500000 MB of memory in use. ENERGY: 4102200 775.0294 2037.9116 1934.4948 112.9349 -206692.1058 18025.0585 0.0000 0.0000 34133.7551 -149672.9215 298.0986 -183806.6766 -149578.9834 297.8819 5.9593 39.4684 555959.2738 -0.0183 0.0947 PRESSURE: 4102400 -84.1424 29.6773 184.511 29.6769 -110.696 -59.0161 184.511 -59.0171 104.207 GPRESSURE: 4102400 -49.332 -2.43484 199.835 9.28429 -99.4605 -24.3117 127.872 -118.152 141.151 PRESSAVG: 4102400 6.07669 20.019 20.568 20.0192 29.3253 25.3296 20.568 25.3295 -6.64413 GPRESSAVG: 4102400 5.95989 19.9266 21.4694 21.1391 28.9241 26.1089 19.2084 25.4301 -5.6998 TIMING: 4102400 CPU: 11879.9, 0.00288625/step Wall: 11879.9, 0.00288625/step, 0.719637 hours remaining, 211.500000 MB of memory in use. ENERGY: 4102400 735.3834 2083.0602 1955.3842 116.8487 -206337.1178 17773.7516 0.0000 0.0000 33972.0696 -149700.6201 296.6865 -183672.6897 -149608.2545 298.0426 -30.2104 -2.5471 557313.6482 9.5860 9.7281 PRESSURE: 4102600 15.8913 -146.314 234.954 -146.313 -160.774 -46.2042 234.954 -46.2051 -41.956 GPRESSURE: 4102600 74.71 -37.9711 197.899 -170.365 -146.456 -45.9181 176.724 -4.42676 -8.04377 PRESSAVG: 4102600 -43.6649 -15.216 51.2486 -15.2159 -17.3295 4.55574 51.2486 4.55572 47.8734 GPRESSAVG: 4102600 -44.3075 -13.7023 51.4019 -16.435 -17.1276 3.81819 52.9757 5.88842 48.0511 TIMING: 4102600 CPU: 11880.5, 0.00287135/step Wall: 11880.5, 0.00287135/step, 0.715763 hours remaining, 211.500000 MB of memory in use. ENERGY: 4102600 724.2530 2031.4505 1934.4935 110.3209 -206683.0940 17931.3229 0.0000 0.0000 34174.9955 -149776.2578 298.4587 -183951.2532 -149674.0667 297.4963 -62.2797 -26.5966 557249.4699 -4.3737 -4.4613 PRESSURE: 4102800 186.711 118.153 21.9267 118.154 74.4551 -185.58 21.9267 -185.581 138.755 GPRESSURE: 4102800 206.482 148.049 84.6663 17.4177 146.256 -116.551 17.9855 -179.017 145.815 PRESSAVG: 4102800 44.5322 15.928 27.183 15.9281 28.7487 15.0932 27.183 15.0933 -49.6826 GPRESSAVG: 4102800 44.8758 14.2981 27.8507 14.4989 29.435 14.8489 27.8008 13.4067 -50.5787 TIMING: 4102800 CPU: 11881.1, 0.00289403/step Wall: 11881.1, 0.00289403/step, 0.721257 hours remaining, 211.500000 MB of memory in use. ENERGY: 4102800 747.8586 2073.5548 1948.5498 111.8700 -206911.7048 18161.6677 0.0000 0.0000 34071.0674 -149797.1364 297.5511 -183868.2038 -149705.7187 298.0315 133.3070 166.1846 556228.5232 7.8661 7.9107 PRESSURE: 4103000 33.143 22.165 176.747 22.1643 -21.2849 31.4894 176.746 31.4879 39.6859 GPRESSURE: 4103000 124.182 70.9213 202.374 54.7729 -4.44157 11.5923 113.21 69.6889 34.3394 PRESSAVG: 4103000 72.7484 -24.728 12.5907 -24.7281 -71.8578 -5.46852 12.5907 -5.46863 5.56473 GPRESSAVG: 4103000 71.8551 -23.035 11.9846 -22.8285 -71.2018 -6.80169 10.496 -3.80433 6.06968 TIMING: 4103000 CPU: 11881.6, 0.00287219/step Wall: 11881.6, 0.00287219/step, 0.715655 hours remaining, 211.500000 MB of memory in use. ENERGY: 4103000 702.1646 2077.9789 1941.3419 120.3168 -206781.1177 17810.9836 0.0000 0.0000 34271.1807 -149857.1512 299.2987 -184128.3319 -149758.9006 298.0320 17.1813 51.3599 555863.4688 2.1518 2.2410 PRESSURE: 4103200 -69.9197 116.949 154.551 116.95 -25.2064 123.855 154.55 123.855 -170.79 GPRESSURE: 4103200 -63.0354 126.274 113.381 22.43 1.06316 147.815 236.098 26.5372 -117.67 PRESSAVG: 4103200 7.72695 -7.19598 24.5727 -7.19586 -9.32414 10.2932 24.5727 10.2931 27.8001 GPRESSAVG: 4103200 9.54539 -8.79414 23.4025 -8.37759 -10.29 10.3274 26.2354 9.42019 26.7018 TIMING: 4103200 CPU: 11882.2, 0.00287448/step Wall: 11882.2, 0.00287448/step, 0.716064 hours remaining, 211.500000 MB of memory in use. ENERGY: 4103200 683.4445 2125.8385 1956.4176 106.0797 -206008.2819 17540.2521 0.0000 0.0000 33752.0630 -149844.1863 294.7652 -183596.2494 -149743.9651 297.5007 -88.6386 -59.8806 557703.4663 8.7343 8.6524 PRESSURE: 4103400 -58.5167 28.4051 -51.3992 28.4051 -308.641 -1.13708 -51.4002 -1.13569 -108.648 GPRESSURE: 4103400 -63.798 172.875 -82.8893 -38.3965 -248.932 -8.97733 -45.7761 4.53758 -65.2922 PRESSAVG: 4103400 -52.8139 -7.88922 17.727 -7.88917 37.0025 48.1639 17.727 48.164 24.1226 GPRESSAVG: 4103400 -54.9547 -7.51405 16.4884 -7.15258 37.9354 47.6316 18.3873 48.128 25.885 TIMING: 4103400 CPU: 11882.8, 0.00288619/step Wall: 11882.8, 0.00288619/step, 0.718821 hours remaining, 211.500000 MB of memory in use. ENERGY: 4103400 743.3815 2064.3852 1953.1512 110.5461 -206275.9445 17608.1044 0.0000 0.0000 34180.8165 -149615.5596 298.5096 -183796.3762 -149512.6613 297.4200 -158.6019 -126.0074 557990.6540 2.7704 2.9552 PRESSURE: 4103600 26.7097 -16.6769 0.105945 -16.6778 -68.2751 31.4511 0.107054 31.4493 243.027 GPRESSURE: 4103600 72.4157 -14.8136 31.0636 -44.5501 18.66 77.1116 17.1664 66.5558 213.641 PRESSAVG: 4103600 -14.009 -3.37057 -17.7284 -3.37058 -37.9872 -25.0862 -17.7284 -25.0861 43.2012 GPRESSAVG: 4103600 -12.9121 -4.7701 -13.5349 -4.20319 -38.3933 -23.3203 -18.983 -24.7943 42.4975 TIMING: 4103600 CPU: 11883.4, 0.00286215/step Wall: 11883.4, 0.00286215/step, 0.712676 hours remaining, 211.500000 MB of memory in use. ENERGY: 4103600 753.7704 2087.2036 1919.2827 110.8495 -206617.5570 18063.5959 0.0000 0.0000 34061.0969 -149621.7581 297.4640 -183682.8550 -149525.0968 298.1100 67.1537 101.5722 556730.6676 -2.9317 -2.9360 PRESSURE: 4103800 46.5443 27.5429 30.2361 27.5428 -100.394 119.216 30.2357 119.217 -23.251 GPRESSURE: 4103800 31.1538 -7.4678 61.0784 42.6683 -27.941 161.782 -24.0104 105.574 3.20755 PRESSAVG: 4103800 7.46703 -46.2354 4.03507 -46.2353 -66.7515 24.4454 4.03514 24.4453 39.8325 GPRESSAVG: 4103800 7.81384 -46.0312 -0.0810909 -43.3157 -66.7062 25.3932 3.80273 23.468 39.0519 TIMING: 4103800 CPU: 11883.9, 0.00286344/step Wall: 11883.9, 0.00286344/step, 0.712838 hours remaining, 211.500000 MB of memory in use. ENERGY: 4103800 732.4078 2041.1245 1955.1696 124.6161 -206610.3671 17804.2835 0.0000 0.0000 34398.2144 -149554.5512 300.4082 -183952.7656 -149456.3791 297.8040 -25.7003 2.1401 556689.1761 -6.4840 -6.6135 PRESSURE: 4104000 -157.79 112.416 87.5143 112.415 183.803 42.288 87.514 42.2871 -56.0498 GPRESSURE: 4104000 -57.4811 89.4581 163.279 81.4031 169.242 69.3546 79.1684 5.05168 -44.3782 PRESSAVG: 4104000 46.9557 -23.4896 65.5223 -23.4897 51.6001 -1.26775 65.5223 -1.26791 -53.426 GPRESSAVG: 4104000 46.4645 -24.924 67.8335 -24.0134 52.1517 -0.830819 65.635 -2.13176 -53.0338 TIMING: 4104000 CPU: 11884.5, 0.00287318/step Wall: 11884.5, 0.00287318/step, 0.715101 hours remaining, 211.500000 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: 4104000 764.5862 2154.2888 1955.2982 128.1880 -206437.0532 17809.8025 0.0000 0.0000 34205.6816 -149419.2079 298.7267 -183624.8895 -149329.6241 298.6716 -10.0125 22.4608 556495.0936 15.0433 15.1942 PRESSURE: 4104200 -96.9817 159.978 28.1566 159.979 168.697 54.725 28.1565 54.7234 -14.0251 GPRESSURE: 4104200 -93.5776 147.721 81.3344 138.222 200.967 24.7607 -3.3056 75.0177 46.433 PRESSAVG: 4104200 -45.7121 8.63342 33.8173 8.63346 44.0311 -21.0853 33.8173 -21.0852 -24.5454 GPRESSAVG: 4104200 -46.165 10.4473 33.882 7.91533 43.1431 -22.1645 32.7833 -20.0194 -23.4204 TIMING: 4104200 CPU: 11885.1, 0.00287037/step Wall: 11885.1, 0.00287037/step, 0.714243 hours remaining, 211.500000 MB of memory in use. ENERGY: 4104200 731.9716 2140.1341 1916.7071 126.5270 -206333.7576 17730.5587 0.0000 0.0000 34168.2146 -149519.6446 298.3995 -183687.8591 -149421.4830 298.9533 19.2300 51.2740 556742.3703 -8.7421 -8.8141 LDB: ============= START OF LOAD BALANCING ============== 11888.5 LDB: ============== END OF LOAD BALANCING =============== 11888.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11888.5 LDB: ============= START OF LOAD BALANCING ============== 11888.8 LDB: Largest compute 4773 load 0.025974 is 22.0% of average load 0.118050 LDB: Average compute 0.001727 is 1.5% of average load 0.118050 LDB: TIME 11888.8 LOAD: AVG 0.11805 MAX 0.179868 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.941 MB LDB: TIME 11888.8 LOAD: AVG 0.11805 MAX 0.179868 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.969 MB LDB: TIME 11888.8 LOAD: AVG 0.11805 MAX 0.179868 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11888.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11888.8 PRESSURE: 4104400 54.7299 69.0274 -118.764 69.0273 -194.65 29.2226 -118.763 29.2245 -143.587 GPRESSURE: 4104400 37.2957 75.9351 -158.028 54.3735 -116.436 -41.5101 -106.653 45.6587 -106.872 PRESSAVG: 4104400 -14.4487 54.5166 48.8466 54.5167 44.3312 -14.4048 48.8466 -14.4048 -33.312 GPRESSAVG: 4104400 -12.9044 54.7738 48.769 54.3063 43.8991 -14.1831 51.2155 -15.0796 -34.6619 TIMING: 4104400 CPU: 11885.7, 0.00294419/step Wall: 11885.7, 0.00294419/step, 0.732449 hours remaining, 210.660156 MB of memory in use. ENERGY: 4104400 788.8087 2102.3942 1930.5535 104.0829 -206379.3068 17760.9132 0.0000 0.0000 34093.3737 -149599.1807 297.7459 -183692.5543 -149500.4704 298.0887 -94.5023 -62.0044 556048.6844 -1.1432 -1.2224 PRESSURE: 4104600 -52.3387 -44.2921 -53.9107 -44.2932 43.1136 -2.66617 -53.9113 -2.66734 -105.249 GPRESSURE: 4104600 -53.4283 27.4036 -61.8314 -91.2041 125.424 62.6594 -74.4562 -14.2367 -72.6685 PRESSAVG: 4104600 0.0338891 -25.4471 32.9147 -25.4471 -21.7201 -29.0615 32.9147 -29.0616 4.15772 GPRESSAVG: 4104600 -0.85192 -24.8025 32.8812 -25.1525 -20.3137 -29.9574 31.9632 -27.9582 4.25684 TIMING: 4104600 CPU: 11886.3, 0.00289406/step Wall: 11886.3, 0.00289406/step, 0.719818 hours remaining, 210.660156 MB of memory in use. ENERGY: 4104600 745.1966 2026.5066 1948.8016 115.1215 -206439.7180 17786.2843 0.0000 0.0000 34129.1286 -149688.6788 298.0582 -183817.8073 -149591.3695 298.2796 -38.1582 -0.2244 555957.9501 -5.8428 -5.6363 PRESSURE: 4104800 -106.552 -42.5787 18.693 -42.5791 -266.323 -60.3165 18.6939 -60.3154 -209.679 GPRESSURE: 4104800 -51.0073 13.3434 42.127 -37.2061 -263.873 -67.1758 4.53577 -64.3721 -166.507 PRESSAVG: 4104800 -51.9108 -25.1026 28.2831 -25.1026 56.7583 1.14618 28.283 1.14612 31.1146 GPRESSAVG: 4104800 -51.4993 -25.3355 29.0337 -26.8222 55.2546 -0.347723 26.8565 1.45318 32.4486 TIMING: 4104800 CPU: 11886.8, 0.0029073/step Wall: 11886.8, 0.0029073/step, 0.722948 hours remaining, 210.660156 MB of memory in use. ENERGY: 4104800 742.9217 2129.9030 1963.8734 113.6465 -206121.8601 17405.7174 0.0000 0.0000 34155.9450 -149609.8531 298.2924 -183765.7981 -149507.9364 297.8180 -194.1849 -160.4627 556216.8216 11.9873 12.0680 PRESSURE: 4105000 -64.8751 208.889 12.7968 208.89 82.943 -49.9958 12.7963 -49.997 -212.66 GPRESSURE: 4105000 51.2791 263.53 23.2347 194.472 16.7602 -48.7323 -3.15235 -52.2222 -157.209 PRESSAVG: 4105000 49.52 -4.36895 6.30857 -4.36894 -63.549 -70.9196 6.30862 -70.9196 9.34963 GPRESSAVG: 4105000 51.0612 -5.32349 3.72242 -3.65598 -64.1107 -68.9346 9.33206 -70.9538 8.31566 TIMING: 4105000 CPU: 11887.4, 0.00290113/step Wall: 11887.4, 0.00290113/step, 0.721254 hours remaining, 210.660156 MB of memory in use. ENERGY: 4105000 699.8734 2154.8318 1951.8063 125.3008 -206253.0498 17657.5951 0.0000 0.0000 34168.8568 -149494.7855 298.4051 -183663.6424 -149390.2706 298.7920 -64.8640 -29.7232 556220.7993 -1.5598 -1.5780 PRESSURE: 4105200 -119.862 -102.743 69.3973 -102.744 258.443 157.584 69.3979 157.584 58.8881 GPRESSURE: 4105200 -8.98983 -111.968 82.513 -108.669 282.391 206.876 39.2503 107.298 19.5543 PRESSAVG: 4105200 18.2384 4.99125 55.9764 4.99118 -36.9752 -32.3416 55.9764 -32.3413 29.5371 GPRESSAVG: 4105200 16.7398 6.96766 57.3994 2.97736 -34.938 -32.3187 54.264 -31.4688 29.1113 TIMING: 4105200 CPU: 11888, 0.00290499/step Wall: 11888, 0.00290499/step, 0.722052 hours remaining, 210.660156 MB of memory in use. ENERGY: 4105200 767.4776 2099.0501 1947.1574 105.3384 -206457.0985 17840.1994 0.0000 0.0000 34268.1900 -149429.6856 299.2726 -183697.8756 -149338.1585 298.8585 65.8229 97.6519 556870.9718 3.6001 3.6377 PRESSURE: 4105400 -146.942 -5.65201 38.6914 -5.65188 5.78116 28.2247 38.6923 28.2252 39.7514 GPRESSURE: 4105400 -123.214 -51.2523 102.194 -44.8324 74.5524 50.9864 28.6772 -41.263 46.3037 PRESSAVG: 4105400 -76.4716 -84.783 13.188 -84.783 55.994 -35.6385 13.188 -35.6384 40.3847 GPRESSAVG: 4105400 -76.6834 -86.2084 13.8204 -82.182 54.3787 -37.1729 12.0484 -37.3177 42.4511 TIMING: 4105400 CPU: 11888.6, 0.00290425/step Wall: 11888.6, 0.00290425/step, 0.721705 hours remaining, 210.660156 MB of memory in use. ENERGY: 4105400 752.1640 2103.1957 1927.7293 96.6719 -206191.6985 17659.3866 0.0000 0.0000 34251.4515 -149401.0996 299.1264 -183652.5511 -149302.8551 298.6367 -33.8033 -0.7860 556105.1393 6.6357 6.7155 PRESSURE: 4105600 -223.07 -125.945 -153.877 -125.944 83.5198 -9.19828 -153.878 -9.1988 134.312 GPRESSURE: 4105600 -178.552 -177.692 -170.185 -85.6197 143.303 -88.3074 -128.467 66.1404 135.53 PRESSAVG: 4105600 -53.553 -9.62607 -52.0382 -9.62603 16.4844 -42.7697 -52.0382 -42.7697 37.8286 GPRESSAVG: 4105600 -52.8602 -9.90438 -53.8264 -9.60997 17.0093 -42.1119 -51.4857 -41.3382 36.6114 TIMING: 4105600 CPU: 11889.2, 0.0028918/step Wall: 11889.2, 0.0028918/step, 0.718452 hours remaining, 210.660156 MB of memory in use. ENERGY: 4105600 782.4205 2049.5316 1979.8108 125.0361 -206421.2132 17895.6991 0.0000 0.0000 34075.8005 -149512.9144 297.5924 -183588.7149 -149429.5248 298.3740 -1.7461 33.4271 556363.2660 0.2533 0.2535 PRESSURE: 4105800 -121.589 -111.711 63.0272 -111.711 163.527 -2.91771 63.0291 -2.91974 258.265 GPRESSURE: 4105800 -67.7657 -152.441 -58.6495 -71.4779 169.968 -86.2994 105.312 23.6927 291.135 PRESSAVG: 4105800 -38.5708 -32.8557 -0.904904 -32.8555 12.7218 18.2774 -0.904875 18.2774 31.454 GPRESSAVG: 4105800 -37.8891 -32.629 0.904752 -34.0951 13.1966 18.5907 -1.76896 16.3894 30.4154 TIMING: 4105800 CPU: 11889.7, 0.00287339/step Wall: 11889.7, 0.00287339/step, 0.713718 hours remaining, 210.660156 MB of memory in use. ENERGY: 4105800 747.5199 2118.7731 1959.8794 110.8082 -206517.0902 17894.2783 0.0000 0.0000 34030.1053 -149655.7260 297.1934 -183685.8313 -149560.7145 298.2706 100.0676 131.1124 555855.6806 1.8683 1.9076 PRESSURE: 4106000 264.705 63.7361 -78.8683 63.7365 7.29613 -23.1803 -78.8685 -23.181 -55.9862 GPRESSURE: 4106000 319.192 -9.05487 -41.7903 61.5898 44.8613 -29.6175 -57.1558 23.3308 -53.128 PRESSAVG: 4106000 -76.5424 -42.7072 -19.8545 -42.7073 -9.72813 -1.65497 -19.8546 -1.65509 64.1937 GPRESSAVG: 4106000 -76.6986 -42.0823 -19.6736 -42.1044 -9.15581 1.99031 -17.8102 -3.1438 63.8767 TIMING: 4106000 CPU: 11890.3, 0.00288923/step Wall: 11890.3, 0.00288923/step, 0.717492 hours remaining, 210.660156 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: 4106000 757.7482 2120.2132 1933.3048 110.0180 -206643.3197 17973.7716 0.0000 0.0000 34272.4726 -149475.7912 299.3100 -183748.2638 -149392.6542 297.9901 72.0048 103.6417 556123.9109 -7.3589 -7.3259 PRESSURE: 4106200 143.108 -116.893 -31.6963 -116.892 -0.863726 -22.0369 -31.6957 -22.0368 -47.4731 GPRESSURE: 4106200 151.296 -76.9498 -11.0113 -40.2142 29.0184 3.80994 -7.81353 -8.68269 -7.14255 PRESSAVG: 4106200 12.5793 -29.7794 20.5178 -29.7793 -62.7841 -43.4404 20.5178 -43.4404 37.3385 GPRESSAVG: 4106200 11.3128 -28.7394 20.1295 -28.868 -62.8361 -43.2486 19.0646 -43.5223 38.2681 TIMING: 4106200 CPU: 11890.9, 0.00287295/step Wall: 11890.9, 0.00287295/step, 0.71329 hours remaining, 210.660156 MB of memory in use. ENERGY: 4106200 727.0804 2127.9471 1926.3107 116.6578 -206365.4056 17885.2589 0.0000 0.0000 34212.8279 -149369.3228 298.7891 -183582.1507 -149273.5713 298.4050 31.5903 57.7239 557691.3597 -4.2887 -4.4184 PRESSURE: 4106400 -6.85114 -22.7102 -5.0499 -22.7105 183.169 -70.6311 -5.0497 -70.6327 -135.633 GPRESSURE: 4106400 36.0571 75.2403 30.103 -38.6605 225.56 -94.4917 14.1534 -27.9357 -114.459 PRESSAVG: 4106400 13.0865 -39.3943 19.1353 -39.3944 9.60961 -25.166 19.1353 -25.1661 -30.7659 GPRESSAVG: 4106400 12.7169 -39.1109 20.0438 -41.4018 10.6144 -26.8763 19.4853 -23.7113 -31.1166 TIMING: 4106400 CPU: 11891.5, 0.00284799/step Wall: 11891.5, 0.00284799/step, 0.706934 hours remaining, 210.660156 MB of memory in use. ENERGY: 4106400 725.6653 2058.2906 1958.8144 114.8711 -206446.7263 17929.7295 0.0000 0.0000 34218.0770 -149441.2784 298.8350 -183659.3554 -149340.2990 298.7020 13.5617 49.0527 557550.5584 -2.6900 -2.5951 PRESSURE: 4106600 -181.47 120.135 -163.899 120.134 -125.896 -93.2495 -163.9 -93.2499 -340.457 GPRESSURE: 4106600 -165.155 68.4487 -134.344 175.066 -90.7223 -153.971 -231.765 -36.8233 -287.601 PRESSAVG: 4106600 -33.1645 -15.2629 40.6773 -15.2629 42.6121 4.38741 40.6773 4.3875 5.37049 GPRESSAVG: 4106600 -31.8642 -18.0242 40.438 -13.8057 40.5307 2.84577 40.8193 5.74781 6.3477 TIMING: 4106600 CPU: 11892, 0.00287494/step Wall: 11892, 0.00287494/step, 0.713465 hours remaining, 210.660156 MB of memory in use. ENERGY: 4106600 780.8318 2079.7159 1945.2855 116.7208 -206045.0566 17567.0630 0.0000 0.0000 34075.4660 -149479.9736 297.5895 -183555.4396 -149384.2273 298.3069 -215.9410 -181.1594 558812.2212 4.9394 5.0047 PRESSURE: 4106800 -102.213 83.4756 11.4094 83.477 252.823 -103.592 11.4104 -103.59 -327.62 GPRESSURE: 4106800 -54.8048 -32.0415 -16.4771 104.733 209.998 -16.413 11.125 -50.6559 -237.71 PRESSAVG: 4106800 -10.8704 -22.8872 18.3481 -22.8871 -18.5141 -19.7091 18.3481 -19.7092 39.3703 GPRESSAVG: 4106800 -11.7556 -21.3413 16.9404 -23.2309 -17.9378 -20.0593 17.6359 -20.166 39.4058 TIMING: 4106800 CPU: 11892.6, 0.00287694/step Wall: 11892.6, 0.00287694/step, 0.713801 hours remaining, 210.660156 MB of memory in use. ENERGY: 4106800 713.7101 2102.7330 1965.5124 137.7146 -206442.0081 17750.8063 0.0000 0.0000 34320.4863 -149451.0455 299.7293 -183771.5317 -149351.1235 298.2445 -59.0036 -27.5055 559185.4810 3.3286 3.2375 PRESSURE: 4107000 -233.7 82.0994 30.9233 82.0982 -186.398 43.2887 30.9241 43.2905 -409.615 GPRESSURE: 4107000 -172.563 1.93879 85.7612 173.192 -195.54 60.3095 -52.8345 46.9403 -362.168 PRESSAVG: 4107000 18.4685 -44.8311 7.6865 -44.831 -7.2349 -10.9121 7.68655 -10.912 -0.700773 GPRESSAVG: 4107000 18.3378 -45.7906 8.62858 -45.3624 -7.30373 -11.4638 7.86241 -9.52422 -0.585945 TIMING: 4107000 CPU: 11893.2, 0.00287161/step Wall: 11893.2, 0.00287161/step, 0.71232 hours remaining, 210.660156 MB of memory in use. ENERGY: 4107000 713.8757 2156.0366 1926.4292 107.4318 -206040.8472 17532.8515 0.0000 0.0000 34217.0534 -149387.1691 298.8260 -183604.2225 -149293.8144 298.9240 -276.5711 -243.4235 557908.9950 3.5109 3.4827 PRESSURE: 4107200 -85.1743 -24.293 -39.1305 -24.2919 275.305 -216.331 -39.1303 -216.331 6.64912 GPRESSURE: 4107200 -64.2569 -39.7917 -111.842 -9.85606 326.212 -196.895 61.6741 -108.32 27.0104 PRESSAVG: 4107200 -66.9524 -30.5744 43.0173 -30.5743 36.3222 -67.6712 43.0172 -67.6713 -23.0285 GPRESSAVG: 4107200 -66.5424 -31.8474 42.9914 -30.6213 35.9646 -66.5222 45.7048 -67.993 -23.2458 TIMING: 4107200 CPU: 11893.8, 0.00287606/step Wall: 11893.8, 0.00287606/step, 0.713262 hours remaining, 210.660156 MB of memory in use. ENERGY: 4107200 772.5876 2110.0583 1946.7665 115.9266 -206335.5578 17942.2874 0.0000 0.0000 34043.7463 -149404.1850 297.3125 -183447.9313 -149309.2547 298.8094 65.5934 96.3219 556388.8893 -17.8863 -17.9412 PRESSURE: 4107400 -199.376 -66.5203 90.4748 -66.5205 -130.552 25.0526 90.4743 25.0533 -347.015 GPRESSURE: 4107400 -230.251 -96.9938 85.1451 -19.236 -52.44 70.8335 62.0002 20.645 -283.133 PRESSAVG: 4107400 -49.6591 0.0896122 6.04795 0.0895828 23.783 24.0839 6.048 24.084 26.3582 GPRESSAVG: 4107400 -49.8946 4.15257 5.75653 -0.652723 23.648 24.2079 3.93453 23.0929 26.9091 TIMING: 4107400 CPU: 11894.3, 0.00287615/step Wall: 11894.3, 0.00287615/step, 0.713125 hours remaining, 210.660156 MB of memory in use. ENERGY: 4107400 719.7678 2032.8059 1930.0769 107.4175 -206098.0488 17530.3282 0.0000 0.0000 34248.7796 -149528.8729 299.1031 -183777.6525 -149423.0582 298.9745 -225.6479 -188.6079 556917.5971 0.1607 0.2208 PRESSURE: 4107600 33.39 1.77886 29.8648 1.77823 -4.37197 -74.0693 29.8652 -74.072 239.182 GPRESSURE: 4107600 60.9615 -12.1523 -52.8661 -16.221 4.20905 5.87286 115.97 -119.721 304.247 PRESSAVG: 4107600 -17.0078 37.8073 -6.86075 37.8072 -10.0999 51.1405 -6.86072 51.1405 18.4614 GPRESSAVG: 4107600 -17.8737 36.5055 -7.69746 36.8535 -9.54166 51.8842 -4.90459 51.2236 18.7917 TIMING: 4107600 CPU: 11894.9, 0.00287146/step Wall: 11894.9, 0.00287146/step, 0.711804 hours remaining, 210.660156 MB of memory in use. ENERGY: 4107600 722.9442 2116.6568 1931.5912 104.2724 -206648.3897 17952.6675 0.0000 0.0000 34311.8618 -149508.3958 299.6540 -183820.2576 -149416.7381 298.8785 89.3999 123.1392 555483.0296 -2.8821 -2.8745 PRESSURE: 4107800 -131.609 -192.632 54.0299 -192.632 -199.828 -49.5338 54.0298 -49.5344 -105.759 GPRESSURE: 4107800 -108.146 -165.144 117.713 -159.357 -174.464 -102.366 25.306 26.4217 -53.4618 PRESSAVG: 4107800 28.2106 25.1001 -51.8158 25.1 -32.183 36.031 -51.8157 36.0312 26.3603 GPRESSAVG: 4107800 30.1455 25.5179 -52.9089 26.8455 -32.7216 35.178 -52.5499 37.5584 24.4506 TIMING: 4107800 CPU: 11895.5, 0.00287101/step Wall: 11895.5, 0.00287101/step, 0.711532 hours remaining, 210.660156 MB of memory in use. ENERGY: 4107800 717.9439 2023.9959 1934.4958 111.1432 -206230.9322 17755.3478 0.0000 0.0000 34163.4835 -149524.5221 298.3582 -183688.0056 -149426.4104 298.7380 -145.7320 -112.0240 558517.1249 7.4626 7.2915 PRESSURE: 4108000 -5.11721 21.1054 -6.49902 21.1044 -66.9159 -105.772 -6.49819 -105.773 -38.7442 GPRESSURE: 4108000 30.9606 54.7913 -54.4038 -32.7782 -93.753 -89.7891 -2.66648 -84.9208 32.7326 PRESSAVG: 4108000 51.7707 -54.1058 -12.6114 -54.1059 1.77702 24.8836 -12.6114 24.8836 -38.8317 GPRESSAVG: 4108000 51.1118 -54.9114 -9.32023 -54.8368 1.59504 24.8172 -13.5012 25.3826 -37.8893 TIMING: 4108000 CPU: 11896.1, 0.00288307/step Wall: 11896.1, 0.00288307/step, 0.71436 hours remaining, 210.660156 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: 4108000 695.2919 2092.6384 1957.3140 117.3400 -206319.3865 17830.2574 0.0000 0.0000 34223.5083 -149403.0364 298.8824 -183626.5447 -149303.3314 298.4820 -36.9258 -10.0199 558507.7667 4.9053 4.9392 PRESSURE: 4108200 194.16 104.093 -50.693 104.093 -41.0039 -61.9735 -50.693 -61.9731 -209.594 GPRESSURE: 4108200 217.683 74.7023 -79.5507 85.0314 -25.1803 -87.9121 -15.5428 -105.147 -155.037 PRESSAVG: 4108200 7.37098 6.14948 -50.2786 6.14953 -2.38026 -22.6359 -50.2787 -22.6357 -23.0602 GPRESSAVG: 4108200 7.53687 5.23746 -52.677 6.39902 -2.87454 -23.2786 -48.2756 -23.1623 -23.114 TIMING: 4108200 CPU: 11896.6, 0.00286928/step Wall: 11896.6, 0.00286928/step, 0.710785 hours remaining, 210.660156 MB of memory in use. ENERGY: 4108200 714.0828 2099.6004 1933.5813 108.8709 -205814.1689 17632.6989 0.0000 0.0000 34253.9405 -149071.3940 299.1482 -183325.3345 -148971.7144 299.7050 -18.8126 12.4887 557816.7412 -6.0232 -6.1506 LDB: ============= START OF LOAD BALANCING ============== 11900 LDB: ============== END OF LOAD BALANCING =============== 11900 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11900 LDB: ============= START OF LOAD BALANCING ============== 11900.3 LDB: Largest compute 4773 load 0.025330 is 21.5% of average load 0.117986 LDB: Average compute 0.001734 is 1.5% of average load 0.117986 LDB: TIME 11900.3 LOAD: AVG 0.117986 MAX 0.180496 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.918 MB LDB: TIME 11900.3 LOAD: AVG 0.117986 MAX 0.180496 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.988 MB LDB: TIME 11900.3 LOAD: AVG 0.117986 MAX 0.180496 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11900.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11900.3 PRESSURE: 4108400 -159.638 -42.057 -130.889 -42.0569 136.848 -47.5252 -130.888 -47.5258 -42.7248 GPRESSURE: 4108400 -121.607 -45.7785 -130.715 -54.7421 120.914 -63.235 -149.652 -25.1397 34.4302 PRESSAVG: 4108400 -6.60479 21.3572 -17.6935 21.3573 74.287 -21.7338 -17.6934 -21.7337 -58.5458 GPRESSAVG: 4108400 -5.93341 22.1229 -16.5984 22.2791 74.2553 -20.1826 -20.3792 -23.4036 -58.7995 TIMING: 4108400 CPU: 11897.2, 0.00295694/step Wall: 11897.2, 0.00295694/step, 0.732335 hours remaining, 210.148438 MB of memory in use. ENERGY: 4108400 756.6267 2115.6145 1966.7966 102.7157 -206200.4173 17904.7946 0.0000 0.0000 34197.9213 -149155.9478 298.6590 -183353.8691 -149058.8498 299.6239 -21.8382 11.2455 557875.8303 3.0454 3.1741 PRESSURE: 4108600 -29.581 -118.399 188.169 -118.4 123.427 -242.92 188.169 -242.92 -270.267 GPRESSURE: 4108600 49.0893 -197.683 179.178 -131.757 136.953 -155.826 183.052 -297.231 -272.398 PRESSAVG: 4108600 47.1313 -37.8765 -28.8399 -37.8766 -14.693 -35.7378 -28.8399 -35.7377 -9.72534 GPRESSAVG: 4108600 45.1544 -36.6302 -29.6933 -40.414 -13.2543 -37.9991 -27.0255 -34.5859 -9.36735 TIMING: 4108600 CPU: 11897.8, 0.00288121/step Wall: 11897.8, 0.00288121/step, 0.713419 hours remaining, 210.148438 MB of memory in use. ENERGY: 4108600 746.9189 2074.0298 1942.1885 126.3281 -206225.2671 17821.6665 0.0000 0.0000 34417.8752 -149096.2600 300.5799 -183514.1352 -149001.6392 299.4958 -58.8069 -28.7853 558391.5611 7.5710 7.5109 PRESSURE: 4108800 -76.2039 -96.0242 37.5014 -96.0241 -29.2709 106.312 37.5006 106.313 58.9679 GPRESSURE: 4108800 -5.41833 -84.3193 -44.6086 -108.69 30.9911 79.4928 68.3692 222.087 26.2211 PRESSAVG: 4108800 -4.8486 46.4314 -1.99106 46.4314 28.2955 21.1435 -1.99105 21.1434 -29.755 GPRESSAVG: 4108800 -3.8219 45.7197 -1.52336 49.6914 28.1602 21.9102 -2.21151 20.2296 -30.4258 TIMING: 4108800 CPU: 11898.4, 0.00287568/step Wall: 11898.4, 0.00287568/step, 0.711891 hours remaining, 210.148438 MB of memory in use. ENERGY: 4108800 716.1677 2076.4650 1937.7124 115.2515 -206298.6646 17812.4872 0.0000 0.0000 34575.9782 -149064.6025 301.9606 -183640.5808 -148969.2813 300.2749 -15.5023 17.2646 558284.7580 -2.1027 -2.0292 PRESSURE: 4109000 -160.564 119.254 -108.572 119.254 -40.9544 -17.3928 -108.573 -17.3947 -62.6013 GPRESSURE: 4109000 -147.919 140.886 -108.395 136.893 10.1902 26.1851 -79.4655 3.58378 -30.2005 PRESSAVG: 4109000 24.6577 -13.1529 31.2129 -13.153 1.92071 34.8513 31.2129 34.8513 26.7988 GPRESSAVG: 4109000 24.7375 -12.8092 31.6878 -14.0062 1.67457 35.7179 32.0212 34.9536 27.2322 TIMING: 4109000 CPU: 11898.9, 0.00288134/step Wall: 11898.9, 0.00288134/step, 0.713131 hours remaining, 210.148438 MB of memory in use. ENERGY: 4109000 755.8924 2104.3342 1945.0830 119.4423 -205780.8054 17707.7632 0.0000 0.0000 34140.0266 -149008.2638 298.1533 -183148.2904 -148918.0785 299.4436 -88.0400 -55.9764 559816.6854 17.7924 17.8814 PRESSURE: 4109200 -77.5477 66.7166 -55.2704 66.7169 -61.1612 -147.873 -55.2704 -147.874 -151.594 GPRESSURE: 4109200 -54.2621 19.1306 -63.1642 28.6298 -32.2995 -130.983 -36.0771 -138.635 -103.584 PRESSAVG: 4109200 -11.1036 -70.2884 12.8287 -70.2884 -22.3216 -27.3356 12.8287 -27.3356 17.8448 GPRESSAVG: 4109200 -11.1336 -69.8267 12.3994 -70.6905 -21.5888 -26.6482 13.3281 -26.2736 17.1563 TIMING: 4109200 CPU: 11899.5, 0.0028761/step Wall: 11899.5, 0.0028761/step, 0.711676 hours remaining, 210.148438 MB of memory in use. ENERGY: 4109200 734.3819 2116.0446 1938.4048 117.0436 -205690.8137 17481.9900 0.0000 0.0000 34258.2522 -149044.6965 299.1858 -183302.9487 -148951.7778 299.5049 -96.7675 -63.3820 557611.7227 -5.1935 -5.1887 PRESSURE: 4109400 -103.352 -59.7285 -57.2868 -59.7301 -8.21265 48.8726 -57.2865 48.8731 -237.878 GPRESSURE: 4109400 -100.67 -55.8517 -12.0249 -99.3206 48.3817 63.6689 -131.07 36.3101 -191.506 PRESSAVG: 4109400 25.48 -3.05081 26.0202 -3.05082 -18.8804 -45.2116 26.0201 -45.2116 -3.03381 GPRESSAVG: 4109400 25.3886 -2.75087 25.0497 -2.29913 -19.6642 -45.8743 26.0024 -46.7587 -2.70268 TIMING: 4109400 CPU: 11900.1, 0.00287197/step Wall: 11900.1, 0.00287197/step, 0.710493 hours remaining, 210.148438 MB of memory in use. ENERGY: 4109400 714.9933 2092.2156 1950.2708 122.4843 -205847.0370 17548.6071 0.0000 0.0000 34335.9793 -149082.4868 299.8646 -183418.4661 -148981.8862 299.6925 -116.4810 -81.2646 557615.9923 1.1886 1.0073 PRESSURE: 4109600 134.339 62.3599 -45.2202 62.3609 -64.7697 -32.6631 -45.2194 -32.6643 -139.281 GPRESSURE: 4109600 121.877 57.5606 -108.444 62.0038 8.4912 -152.872 17.9024 117.804 -103.543 PRESSAVG: 4109600 19.5431 22.4005 -19.379 22.4003 23.6744 -22.8362 -19.379 -22.8361 -19.3988 GPRESSAVG: 4109600 19.0499 23.1455 -17.285 21.9514 24.8942 -23.2687 -19.7756 -22.4561 -19.8963 TIMING: 4109600 CPU: 11900.7, 0.00286833/step Wall: 11900.7, 0.00286833/step, 0.709435 hours remaining, 210.148438 MB of memory in use. ENERGY: 4109600 767.0669 2098.1668 1940.1333 112.1969 -205720.8061 17626.2391 0.0000 0.0000 34163.7736 -149013.2294 298.3607 -183177.0030 -148919.2795 299.4715 -23.2371 8.9417 557591.1074 7.9396 8.0159 PRESSURE: 4109800 -42.8727 -115.158 -72.4841 -115.158 -78.4304 -84.697 -72.4828 -84.6992 41.5073 GPRESSURE: 4109800 9.2071 -105.539 -77.957 -88.5134 -45.0379 -37.8277 -25.3208 -127.502 57.0845 PRESSAVG: 4109800 13.9667 10.5202 -40.0789 10.5203 -37.7847 -31.7455 -40.0789 -31.7454 3.95086 GPRESSAVG: 4109800 13.6043 10.1485 -40.2406 9.11497 -38.7698 -33.1032 -42.1544 -30.6725 4.66874 TIMING: 4109800 CPU: 11901.2, 0.00287429/step Wall: 11901.2, 0.00287429/step, 0.710747 hours remaining, 210.148438 MB of memory in use. ENERGY: 4109800 769.7695 2138.5113 1949.0639 123.5811 -206063.2345 17732.9311 0.0000 0.0000 34490.9057 -148858.4719 301.2177 -183349.3776 -148760.3037 299.4202 -26.5986 7.0846 557311.9816 -6.6224 -6.8323 PRESSURE: 4110000 -21.1631 8.36969 -33.9214 8.36894 -204.118 68.5966 -33.9208 68.5965 -257.492 GPRESSURE: 4110000 41.1381 -2.43847 -52.4615 19.9854 -160.846 80.6813 -9.45863 76.5623 -264.664 PRESSAVG: 4110000 37.8387 39.4036 -57.303 39.4036 43.866 -35.4087 -57.3029 -35.4088 -55.7921 GPRESSAVG: 4110000 38.4938 40.5536 -58.1314 39.3576 43.6556 -34.0506 -53.5949 -34.7336 -55.8623 TIMING: 4110000 CPU: 11901.8, 0.00288194/step Wall: 11901.8, 0.00288194/step, 0.71248 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4110000 747.5561 2075.8118 1960.2273 111.0081 -205585.9331 17388.4055 0.0000 0.0000 34396.6826 -148906.2417 300.3948 -183302.9243 -148806.7435 300.3990 -160.9242 -128.1240 556636.6025 8.6375 8.7624 PRESSURE: 4110200 -30.1579 10.3226 19.9371 10.3227 -98.255 -128.1 19.9368 -128.102 376.148 GPRESSURE: 4110200 -8.44707 71.1643 22.269 -30.8563 -33.0582 -97.3321 -41.0564 -169.319 389.239 PRESSAVG: 4110200 10.2454 36.796 -31.6793 36.7962 22.475 -0.679131 -31.6794 -0.679106 -31.722 GPRESSAVG: 4110200 10.6959 35.866 -31.7994 38.7604 23.2536 -0.092661 -33.8545 -1.84008 -32.9769 TIMING: 4110200 CPU: 11902.4, 0.00287805/step Wall: 11902.4, 0.00287805/step, 0.711358 hours remaining, 210.148438 MB of memory in use. ENERGY: 4110200 715.7898 2084.1087 1938.5809 128.0543 -205759.0220 17643.8957 0.0000 0.0000 34328.8620 -148919.7305 299.8025 -183248.5925 -148821.7659 300.6209 82.5784 115.9111 555223.2033 0.3328 0.3242 PRESSURE: 4110400 -86.9629 -44.7606 -45.5738 -44.7607 167.487 -110.617 -45.5725 -110.617 -23.5309 GPRESSURE: 4110400 -14.4677 -89.4077 -11.7914 -69.599 166.893 -59.8707 -30.7453 -130.647 -3.36115 PRESSAVG: 4110400 6.26081 -31.8711 -89.34 -31.8711 -39.9344 -51.0506 -89.34 -51.0507 33.9824 GPRESSAVG: 4110400 6.72253 -32.9753 -90.412 -32.8791 -41.6243 -52.3829 -88.0376 -51.0778 34.7549 TIMING: 4110400 CPU: 11903, 0.0028671/step Wall: 11903, 0.0028671/step, 0.708492 hours remaining, 210.203125 MB of memory in use. ENERGY: 4110400 750.7306 2067.0179 1944.1899 114.4268 -206176.6279 17910.6998 0.0000 0.0000 34470.0488 -148919.5140 301.0355 -183389.5629 -148828.1895 300.0178 18.9978 49.6880 557451.5735 0.1029 -0.0490 PRESSURE: 4110600 2.17231 -32.869 -3.65802 -32.8688 61.146 16.6314 -3.65938 16.6309 238.967 GPRESSURE: 4110600 77.7784 9.428 27.2041 -55.9781 68.3248 -29.3519 -77.8382 -50.7115 268.897 PRESSAVG: 4110600 -41.2788 -36.4782 -51.552 -36.4781 -9.8668 -11.458 -51.552 -11.458 48.2422 GPRESSAVG: 4110600 -42.8834 -35.8963 -50.1725 -35.2762 -7.98047 -9.9953 -52.8894 -12.7365 47.4731 TIMING: 4110600 CPU: 11903.5, 0.00286726/step Wall: 11903.5, 0.00286726/step, 0.708373 hours remaining, 210.203125 MB of memory in use. ENERGY: 4110600 721.2496 2132.4808 1979.3163 115.8852 -205956.1942 17788.2356 0.0000 0.0000 34287.2280 -148931.7987 299.4389 -183219.0266 -148834.5172 300.2699 100.7618 138.3333 557109.4453 -0.9678 -1.1303 PRESSURE: 4110800 90.5318 -165.462 -170.232 -165.462 112.793 -11.5324 -170.232 -11.5322 114.537 GPRESSURE: 4110800 125.324 -162.499 -169.661 -166.956 127.606 42.4867 -137.617 63.3392 156.897 PRESSAVG: 4110800 -102.399 -0.0881021 -9.12938 -0.0880098 -6.2982 18.3004 -9.12941 18.3003 145.983 GPRESSAVG: 4110800 -101.757 -0.246093 -10.2912 -0.500058 -7.86675 16.7279 -7.05628 21.1689 146.771 TIMING: 4110800 CPU: 11904.1, 0.0028802/step Wall: 11904.1, 0.0028802/step, 0.711411 hours remaining, 210.203125 MB of memory in use. ENERGY: 4110800 737.2894 2148.4233 1980.3193 109.3987 -206147.7190 17932.9942 0.0000 0.0000 34377.8777 -148861.4164 300.2306 -183239.2941 -148764.4365 300.4269 105.9539 136.6093 556825.8456 12.4287 12.3826 PRESSURE: 4111000 45.8106 44.6304 -31.0423 44.6307 44.5823 -118.69 -31.0402 -118.69 192.715 GPRESSURE: 4111000 65.013 0.713194 -15.8579 144.455 72.9044 -32.0341 -61.3413 -163.584 240.489 PRESSAVG: 4111000 -45.8648 -26.2666 -31.0183 -26.2665 4.19237 33.1849 -31.0183 33.1849 6.15228 GPRESSAVG: 4111000 -46.8034 -27.5253 -31.6071 -27.9017 5.14122 37.373 -31.8754 30.0631 5.52675 TIMING: 4111000 CPU: 11904.7, 0.00287654/step Wall: 11904.7, 0.00287654/step, 0.710347 hours remaining, 210.203125 MB of memory in use. ENERGY: 4111000 726.0669 2072.1884 1949.6341 123.2263 -206062.4490 17782.2011 0.0000 0.0000 34436.1192 -148973.0131 300.7392 -183409.1323 -148878.8455 299.8522 94.3693 126.1354 556758.8220 -11.8400 -12.0451 PRESSURE: 4111200 77.5859 -37.4705 98.9076 -37.4691 36.08 140.17 98.9078 140.169 146.588 GPRESSURE: 4111200 118.151 33.4403 95.7823 -102.234 69.4258 105.476 78.7411 171.128 179.45 PRESSAVG: 4111200 -34.9529 -37.0619 -3.76952 -37.0619 76.89 3.13739 -3.76943 3.13739 -34.2695 GPRESSAVG: 4111200 -34.2863 -36.0296 -2.78917 -35.4318 74.7096 0.270565 -5.10876 4.26896 -33.1284 TIMING: 4111200 CPU: 11905.3, 0.00285912/step Wall: 11905.3, 0.00285912/step, 0.705884 hours remaining, 210.203125 MB of memory in use. ENERGY: 4111200 756.9092 2061.2779 1943.2617 115.5730 -206204.0829 17959.4925 0.0000 0.0000 34377.7820 -148989.7867 300.2297 -183367.5686 -148895.7888 299.4942 86.7513 122.3421 556964.8058 2.5559 2.4316 PRESSURE: 4111400 -428.167 61.9844 -120.027 61.9852 -329.377 184.6 -120.026 184.6 -153.825 GPRESSURE: 4111400 -423.642 46.6396 -58.4776 25.9206 -298.823 129.787 -158.452 224.201 -93.0088 PRESSAVG: 4111400 26.7531 -29.9422 -56.1002 -29.9422 -22.8514 -3.00273 -56.1001 -3.00263 25.6634 GPRESSAVG: 4111400 26.2496 -29.1482 -54.4854 -33.336 -22.654 -4.07918 -54.5675 -2.33234 25.9692 TIMING: 4111400 CPU: 11905.8, 0.00287776/step Wall: 11905.8, 0.00287776/step, 0.710326 hours remaining, 210.203125 MB of memory in use. ENERGY: 4111400 774.1338 2119.7761 1970.4627 116.9674 -205704.6497 17482.8477 0.0000 0.0000 34297.2270 -148943.2350 299.5262 -183240.4620 -148842.7009 299.6467 -303.7898 -271.8247 557368.1493 9.8550 9.8549 PRESSURE: 4111600 -273.189 -57.6067 -120.708 -57.6061 16.0267 -278.005 -120.708 -278.005 137.475 GPRESSURE: 4111600 -242.556 -67.4835 -96.6189 -60.6689 66.5985 -196.635 -127.866 -327.51 161.149 PRESSAVG: 4111600 -3.22759 -23.9398 -35.9434 -23.9398 2.29956 25.6322 -35.9435 25.6322 -1.22863 GPRESSAVG: 4111600 -3.577 -24.9159 -38.1207 -23.6294 4.45349 27.3642 -36.2624 24.2978 -2.64552 TIMING: 4111600 CPU: 11906.4, 0.00287838/step Wall: 11906.4, 0.00287838/step, 0.71032 hours remaining, 210.203125 MB of memory in use. ENERGY: 4111600 751.0612 2082.9455 1925.4607 110.5486 -205955.0665 17747.5393 0.0000 0.0000 34174.4291 -149163.0821 298.4538 -183337.5112 -149067.5962 299.5024 -39.8958 -4.9363 557631.8993 -0.7189 -0.5897 PRESSURE: 4111800 -10.4152 102.83 -129.149 102.831 220.225 84.1094 -129.148 84.1109 -93.7854 GPRESSURE: 4111800 18.8322 136.512 -105.263 35.2632 203.676 54.4467 -148.758 56.8841 -9.80128 PRESSAVG: 4111800 -43.212 -75.9017 23.8414 -75.9016 -7.39593 -3.82053 23.8415 -3.82043 58.0587 GPRESSAVG: 4111800 -42.7462 -74.3543 24.7666 -73.2417 -8.68783 -3.35449 25.0229 -3.34481 58.767 TIMING: 4111800 CPU: 11907, 0.00286864/step Wall: 11907, 0.00286864/step, 0.707756 hours remaining, 210.203125 MB of memory in use. ENERGY: 4111800 741.9436 2063.5403 1941.5161 118.5470 -205949.8508 17762.1799 0.0000 0.0000 34166.6393 -149155.4846 298.3858 -183322.1238 -149057.0013 299.7601 38.6747 70.9023 557164.0321 2.4836 2.4443 PRESSURE: 4112000 -123.926 -123.554 -71.322 -123.555 -149.942 -6.84533 -71.3224 -6.84519 158.365 GPRESSURE: 4112000 -120.494 -121.021 -109.631 -87.9569 -116.261 -33.3801 -79.5585 -33.0963 213.446 PRESSAVG: 4112000 -57.9457 -8.39211 50.0949 -8.3921 -5.0342 4.71479 50.0949 4.71471 82.1098 GPRESSAVG: 4112000 -58.2893 -9.84137 51.2445 -8.94896 -4.75759 3.64742 48.564 4.79843 81.9353 TIMING: 4112000 CPU: 11907.6, 0.00288013/step Wall: 11907.6, 0.00288013/step, 0.710432 hours remaining, 210.203125 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: 4112000 750.5133 2040.5296 1978.0089 114.6620 -205980.6776 17668.2982 0.0000 0.0000 34342.4871 -149086.1785 299.9215 -183428.6656 -148990.5620 299.6426 -38.5007 -7.7698 555153.8790 6.3766 6.2961 PRESSURE: 4112200 264.882 -1.57868 119.155 -1.5775 70.5009 -66.8575 119.155 -66.8564 110.429 GPRESSURE: 4112200 286.482 15.0239 178.834 7.44174 92.2918 -21.0836 21.2798 -97.3474 173.3 PRESSAVG: 4112200 -36.7711 6.80374 -14.4293 6.80385 18.2272 0.770159 -14.4292 0.770199 35.3749 GPRESSAVG: 4112200 -36.4987 5.39034 -16.0304 8.89893 17.1226 -0.0224322 -11.839 0.406875 36.0475 TIMING: 4112200 CPU: 11908.1, 0.00290081/step Wall: 11908.1, 0.00290081/step, 0.715373 hours remaining, 210.203125 MB of memory in use. ENERGY: 4112200 741.3316 2094.3273 1949.6126 99.7188 -205766.6179 17823.9303 0.0000 0.0000 34144.8487 -148912.8486 298.1955 -183057.6973 -148820.6834 299.5044 148.6042 184.0248 556978.9246 5.6104 5.5572 LDB: ============= START OF LOAD BALANCING ============== 11911.5 LDB: ============== END OF LOAD BALANCING =============== 11911.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11911.5 LDB: ============= START OF LOAD BALANCING ============== 11911.8 LDB: Largest compute 4773 load 0.025548 is 21.6% of average load 0.118013 LDB: Average compute 0.001733 is 1.5% of average load 0.118013 LDB: TIME 11911.8 LOAD: AVG 0.118013 MAX 0.179235 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.852 MB LDB: TIME 11911.8 LOAD: AVG 0.118013 MAX 0.179235 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.055 MB LDB: TIME 11911.8 LOAD: AVG 0.118013 MAX 0.179235 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11911.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11911.8 PRESSURE: 4112400 28.8313 48.142 88.8331 48.1417 35.403 85.1222 88.8331 85.1217 120.308 GPRESSURE: 4112400 107.17 -21.9818 56.2451 126.111 69.4828 135.99 59.8111 72.6632 97.8208 PRESSAVG: 4112400 -80.8088 -12.6897 -26.9061 -12.6897 39.5653 -34.0277 -26.906 -34.0279 27.2713 GPRESSAVG: 4112400 -82.1023 -12.1588 -26.2457 -13.1737 40.9111 -33.749 -28.7784 -33.5558 27.0735 TIMING: 4112400 CPU: 11908.7, 0.00296159/step Wall: 11908.7, 0.00296159/step, 0.730197 hours remaining, 210.281250 MB of memory in use. ENERGY: 4112400 768.5414 2037.2420 1965.7318 105.4688 -205786.8745 17776.9327 0.0000 0.0000 34227.5719 -148905.3859 298.9179 -183132.9578 -148804.7230 299.5276 61.5142 91.4914 555875.0818 -4.6574 -4.7059 PRESSURE: 4112600 41.7028 -13.1867 1.38276 -13.1861 120.788 -107.73 1.38227 -107.73 -73.9459 GPRESSURE: 4112600 59.4195 -81.2997 -37.2933 -37.6366 109.67 -110.912 -113.403 -44.7612 16.5981 PRESSAVG: 4112600 -68.1323 -1.64775 -15.8569 -1.64768 41.4188 13.1267 -15.8569 13.1268 32.9069 GPRESSAVG: 4112600 -67.5564 0.761006 -16.518 -3.99255 39.9453 12.7898 -16.1923 12.2247 33.7995 TIMING: 4112600 CPU: 11909.3, 0.00291284/step Wall: 11909.3, 0.00291284/step, 0.718015 hours remaining, 210.281250 MB of memory in use. ENERGY: 4112600 740.5373 2044.7678 1965.6404 111.4463 -205513.1136 17659.8604 0.0000 0.0000 33989.4823 -149001.3790 296.8386 -182990.8614 -148903.3234 298.9965 29.5150 61.8960 557460.6094 2.0645 2.0628 PRESSURE: 4112800 -148.211 179.424 77.7227 179.424 -106.648 -70.1878 77.7226 -70.1881 95.7272 GPRESSURE: 4112800 -106.766 92.5891 169.207 297.425 -75.3234 -69.6246 25.2794 -106.482 119.815 PRESSAVG: 4112800 -36.6883 27.6549 -32.2647 27.6549 54.2093 10.8047 -32.2647 10.8048 -52.5514 GPRESSAVG: 4112800 -35.761 24.5977 -31.8294 29.1089 53.9637 11.0141 -31.8032 10.8717 -52.8653 TIMING: 4112800 CPU: 11909.9, 0.00290928/step Wall: 11909.9, 0.00290928/step, 0.716976 hours remaining, 210.281250 MB of memory in use. ENERGY: 4112800 742.8144 2018.5526 1936.7214 114.4256 -205785.0356 17665.3719 0.0000 0.0000 34164.2730 -149142.8766 298.3651 -183307.1496 -149045.4079 299.6566 -53.0442 -20.7581 557409.5680 -11.6768 -11.5542 PRESSURE: 4113000 -137.388 149.225 -88.776 149.226 -203.995 -3.15148 -88.7754 -3.15099 154.411 GPRESSURE: 4113000 -121.506 203.965 -134.83 46.3539 -141.904 -28.2545 24.3896 6.86321 175.89 PRESSAVG: 4113000 -43.9121 44.5936 -35.2462 44.5935 46.4432 14.2584 -35.2462 14.2583 19.9645 GPRESSAVG: 4113000 -42.9319 47.8436 -36.5481 42.202 46.4788 14.9385 -34.4461 14.3601 19.4762 TIMING: 4113000 CPU: 11910.5, 0.00287988/step Wall: 11910.5, 0.00287988/step, 0.709571 hours remaining, 210.281250 MB of memory in use. ENERGY: 4113000 718.0501 2080.0899 1940.4434 110.3205 -206079.1067 17770.4659 0.0000 0.0000 34252.4080 -149207.3289 299.1348 -183459.7369 -149107.8363 299.1689 -62.3239 -29.1729 558345.4461 7.4985 7.6744 PRESSURE: 4113200 142.513 122.659 162.713 122.66 164.663 -71.1097 162.712 -71.1115 202.112 GPRESSURE: 4113200 133.939 169.31 115.114 69.5744 193.255 -116.866 134.46 -27.0097 285.046 PRESSAVG: 4113200 -38.0281 34.864 46.4907 34.8639 -7.39091 11.3514 46.4907 11.3512 -7.9882 GPRESSAVG: 4113200 -40.3303 33.8374 48.8229 37.5799 -6.13936 10.9373 44.0411 11.0742 -6.73098 TIMING: 4113200 CPU: 11911.1, 0.00288208/step Wall: 11911.1, 0.00288208/step, 0.709953 hours remaining, 210.281250 MB of memory in use. ENERGY: 4113200 748.7650 2051.3368 1924.7678 113.7355 -206439.3308 18027.2070 0.0000 0.0000 34121.6456 -149451.8732 297.9928 -183573.5188 -149354.6232 298.4353 169.7625 204.0797 557291.0949 -17.8024 -17.7335 PRESSURE: 4113400 41.3519 35.7206 -54.9019 35.72 -157.284 95.4133 -54.9023 95.4152 202.666 GPRESSURE: 4113400 24.7822 -13.6463 -77.1825 22.4799 -125.495 129.576 -128.989 64.5506 295.123 PRESSAVG: 4113400 -17.2651 -33.0115 -18.0305 -33.0115 -37.4143 31.385 -18.0306 31.385 49.0407 GPRESSAVG: 4113400 -17.3918 -34.1352 -19.1255 -32.0365 -37.3204 31.6132 -18.5151 31.9943 48.9325 TIMING: 4113400 CPU: 11911.6, 0.00287702/step Wall: 11911.6, 0.00287702/step, 0.708547 hours remaining, 210.281250 MB of memory in use. ENERGY: 4113400 760.7219 2074.0435 1982.0543 106.7176 -206527.1638 18014.3895 0.0000 0.0000 34037.7890 -149551.4480 297.2605 -183589.2370 -149458.4686 298.1142 28.9111 64.8033 557952.0575 -1.8796 -1.9265 PRESSURE: 4113600 -220.177 23.3268 84.5659 23.327 87.542 70.6673 84.5659 70.6684 -204.327 GPRESSURE: 4113600 -207.677 -14.8885 7.06664 34.3529 80.8601 2.42871 109.608 65.6157 -118.814 PRESSAVG: 4113600 -29.1381 -18.9159 37.4519 -18.9159 13.5425 -15.1622 37.4519 -15.1621 -9.05084 GPRESSAVG: 4113600 -28.2973 -16.5377 37.1927 -21.7336 12.9053 -15.9767 39.8198 -16.2081 -8.75462 TIMING: 4113600 CPU: 11912.2, 0.00285965/step Wall: 11912.2, 0.00285965/step, 0.704109 hours remaining, 210.281250 MB of memory in use. ENERGY: 4113600 783.6738 2073.7689 1919.0009 102.4774 -206358.2887 17827.0903 0.0000 0.0000 34093.5469 -149558.7304 297.7474 -183652.2773 -149463.5222 297.6496 -112.3204 -81.8769 558874.5701 -8.2155 -8.0489 PRESSURE: 4113800 6.9456 -2.57213 36.6447 -2.57155 -113.165 -7.31618 36.6432 -7.3155 -243.306 GPRESSURE: 4113800 13.9132 19.0786 -17.9607 -15.2742 -63.2914 -9.11128 100.74 -99.4883 -208.867 PRESSAVG: 4113800 -91.2802 -65.4627 42.958 -65.4627 10.6055 -16.8196 42.958 -16.8197 33.8983 GPRESSAVG: 4113800 -90.6858 -64.7722 44.6848 -65.0779 10.3905 -15.9244 42.5613 -18.0712 33.1949 TIMING: 4113800 CPU: 11912.8, 0.00286518/step Wall: 11912.8, 0.00286518/step, 0.705311 hours remaining, 210.281250 MB of memory in use. ENERGY: 4113800 754.1571 1997.0327 1972.0446 96.5471 -206014.6040 17718.0863 0.0000 0.0000 34111.7743 -149364.9621 297.9066 -183476.7364 -149268.7646 297.3690 -116.5084 -86.0818 558037.1300 -15.5921 -15.7001 PRESSURE: 4114000 96.0729 -9.36702 92.6885 -9.36798 65.9584 -50.7659 92.6879 -50.7653 -185.039 GPRESSURE: 4114000 148.119 -37.3716 145.337 -75.7706 113.333 -56.2098 76.0639 -134.693 -172.896 PRESSAVG: 4114000 -11.779 -8.4583 4.02706 -8.45832 53.8975 -14.7686 4.02706 -14.7686 -33.0711 GPRESSAVG: 4114000 -12.2728 -7.40643 1.67164 -8.16742 54.4089 -17.4906 5.31335 -13.0737 -32.893 TIMING: 4114000 CPU: 11913.4, 0.00286403/step Wall: 11913.4, 0.00286403/step, 0.70487 hours remaining, 210.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4114000 718.8723 2047.8022 1977.9184 104.4304 -206744.8071 17973.8989 0.0000 0.0000 34454.8536 -149467.0313 300.9028 -183921.8849 -149365.2180 298.7190 -7.6692 29.5183 556528.4996 3.0158 3.0811 PRESSURE: 4114200 73.6803 23.0628 28.912 23.0643 -72.5603 41.1135 28.9124 41.1135 -128.125 GPRESSURE: 4114200 126.006 61.0705 -22.6457 13.518 -25.5103 73.0449 14.929 40.4882 -132.433 PRESSAVG: 4114200 -77.0813 -16.0298 -2.49457 -16.0297 59.5822 5.3516 -2.49459 5.35154 42.1283 GPRESSAVG: 4114200 -76.1366 -19.4348 -1.27591 -15.8036 58.7371 7.46378 -2.51144 6.12708 42.5376 TIMING: 4114200 CPU: 11913.9, 0.0028773/step Wall: 11913.9, 0.0028773/step, 0.707976 hours remaining, 210.281250 MB of memory in use. ENERGY: 4114200 756.8464 2069.6053 1936.0446 111.1216 -206528.5203 17920.6842 0.0000 0.0000 34364.9681 -149369.2502 300.1178 -183734.2183 -149274.8022 299.2724 -42.3350 -10.6458 556967.6768 8.2097 8.3794 PRESSURE: 4114400 218.374 -81.0967 -22.7252 -81.0968 126.535 -58.0988 -22.7238 -58.0985 140.243 GPRESSURE: 4114400 308.516 -65.3589 34.607 -108.791 154.098 -122.355 -67.4777 -47.277 111.125 PRESSAVG: 4114400 7.87009 -57.2516 16.4812 -57.2516 33.3623 32.6662 16.4812 32.6662 -53.5547 GPRESSAVG: 4114400 6.49912 -55.5234 18.2655 -56.5751 34.9421 31.2775 14.9661 32.3889 -54.0224 TIMING: 4114400 CPU: 11914.5, 0.00285721/step Wall: 11914.5, 0.00285721/step, 0.702874 hours remaining, 210.281250 MB of memory in use. ENERGY: 4114400 766.1070 2025.3816 1967.9672 104.1828 -206569.2069 18114.2107 0.0000 0.0000 34229.5854 -149361.7722 298.9355 -183591.3576 -149263.5941 299.4239 161.7173 191.2465 556613.5268 -4.1074 -4.1937 PRESSURE: 4114600 35.7713 -4.94358 20.4929 -4.94255 308.848 96.6226 20.4938 96.623 213.328 GPRESSURE: 4114600 52.0667 48.8711 1.59793 -16.9744 354.585 50.6182 2.66873 36.4717 241.942 PRESSAVG: 4114600 -10.6209 -79.6707 14.2114 -79.6707 43.0402 46.5709 14.2114 46.5709 -35.5666 GPRESSAVG: 4114600 -9.23193 -79.8538 14.0959 -81.3945 42.547 48.7015 14.7856 44.2595 -36.021 TIMING: 4114600 CPU: 11915.1, 0.00285118/step Wall: 11915.1, 0.00285118/step, 0.701232 hours remaining, 210.281250 MB of memory in use. ENERGY: 4114600 750.5280 2089.3619 1947.7014 115.3852 -206610.2899 18210.8578 0.0000 0.0000 34180.8487 -149315.6068 298.5099 -183496.4556 -149218.6911 298.7152 185.9824 216.1979 556016.9219 -1.0491 -0.9020 PRESSURE: 4114800 13.5782 -116.568 -123.121 -116.569 -176.442 -120.183 -123.121 -120.183 -220.763 GPRESSURE: 4114800 75.5938 -188.779 -69.4113 -126.022 -148.161 -133.216 -110.308 -127.356 -206.005 PRESSAVG: 4114800 16.9869 -54.62 15.0117 -54.6201 3.41885 3.50786 15.0116 3.50788 -29.9203 GPRESSAVG: 4114800 16.6536 -55.6809 14.3368 -53.6024 3.76398 4.34844 15.1738 3.49162 -29.1779 TIMING: 4114800 CPU: 11915.6, 0.00284758/step Wall: 11915.6, 0.00284758/step, 0.700188 hours remaining, 210.281250 MB of memory in use. ENERGY: 4114800 740.4794 2162.8835 1952.2729 113.1486 -206180.7049 17835.6515 0.0000 0.0000 34236.7623 -149139.5068 298.9982 -183376.2690 -149041.9058 299.1899 -127.8754 -92.8575 557802.5060 -3.1715 -2.9201 PRESSURE: 4115000 36.3837 -21.7822 -20.3743 -21.7829 -134.131 41.0573 -20.3741 41.058 -156.086 GPRESSURE: 4115000 113.777 9.54188 -29.2388 0.0830224 -83.4861 100.973 -31.643 55.6311 -178.989 PRESSAVG: 4115000 29.3194 -9.96187 -35.2831 -9.9619 -21.5044 64.8502 -35.2831 64.8502 -35.1491 GPRESSAVG: 4115000 29.8427 -9.04903 -37.0975 -10.0833 -22.2711 61.9043 -34.5458 68.3479 -34.9593 TIMING: 4115000 CPU: 11916.2, 0.00287112/step Wall: 11916.2, 0.00287112/step, 0.705816 hours remaining, 210.281250 MB of memory in use. ENERGY: 4115000 783.6152 2103.9467 1966.4465 109.6547 -205985.1146 17666.7759 0.0000 0.0000 34279.6849 -149074.9906 299.3730 -183354.6755 -148976.3792 299.4165 -84.6112 -49.5659 557038.0253 -9.1113 -9.1292 PRESSURE: 4115200 9.80905 -4.21641 156.961 -4.21602 -144.027 127.471 156.96 127.472 -279.441 GPRESSURE: 4115200 47.3899 70.5569 188.32 12.5438 -93.3386 227.965 111.15 58.7744 -279.553 PRESSAVG: 4115200 21.3449 13.6174 34.5849 13.6174 42.7746 42.2548 34.5848 42.2547 -26.8264 GPRESSAVG: 4115200 20.0562 12.2053 33.8065 14.8815 43.8941 44.1205 36.1363 40.6738 -26.9253 TIMING: 4115200 CPU: 11916.8, 0.00288226/step Wall: 11916.8, 0.00288226/step, 0.708395 hours remaining, 210.281250 MB of memory in use. ENERGY: 4115200 748.0904 2124.1651 1939.6959 108.6744 -206243.3813 17671.2107 0.0000 0.0000 34423.1427 -149228.4021 300.6259 -183651.5448 -149126.5754 299.4737 -137.8864 -108.5006 557807.9252 12.4310 12.3416 PRESSURE: 4115400 -187.77 -76.5737 86.8527 -76.5731 -206.79 -50.0608 86.8515 -50.0603 80.8298 GPRESSURE: 4115400 -83.5204 -57.4931 127.53 -107.603 -239.227 -26.3204 32.7358 -72.2467 126.523 PRESSAVG: 4115400 35.7297 10.5162 -5.82646 10.5163 -32.8101 18.041 -5.82642 18.0409 13.4623 GPRESSAVG: 4115400 36.8991 11.3838 -3.91746 9.55412 -33.2471 18.9806 -7.17994 18.5667 12.5384 TIMING: 4115400 CPU: 11917.4, 0.00287315/step Wall: 11917.4, 0.00287315/step, 0.705997 hours remaining, 210.281250 MB of memory in use. ENERGY: 4115400 764.3468 2097.3702 1937.7000 127.1234 -206361.7025 17879.2434 0.0000 0.0000 34317.1878 -149238.7310 299.7005 -183555.9188 -149138.2030 299.7966 -104.5767 -65.4080 557419.4685 5.4606 5.3968 PRESSURE: 4115600 -248.403 69.6109 -69.4839 69.6108 -408.631 3.03938 -69.4829 3.03928 -455.778 GPRESSURE: 4115600 -229.281 54.3259 -2.18823 33.6019 -332.623 -11.9486 -27.5867 48.5682 -444.094 PRESSAVG: 4115600 -33.3184 -6.15394 17.714 -6.1538 -19.9687 35.9982 17.714 35.9983 11.1181 GPRESSAVG: 4115600 -33.3806 -7.12506 16.8703 -6.8096 -21.0848 34.0316 18.3453 34.8372 12.1451 TIMING: 4115600 CPU: 11917.9, 0.00289944/step Wall: 11917.9, 0.00289944/step, 0.712297 hours remaining, 210.281250 MB of memory in use. ENERGY: 4115600 755.0656 2102.1459 1959.3420 106.4102 -205978.7518 17339.9324 0.0000 0.0000 34414.6898 -149301.1660 300.5520 -183715.8558 -149204.7821 299.6050 -370.9370 -335.3326 558681.1255 -14.0564 -14.1068 PRESSURE: 4115800 46.3991 34.5901 133.931 34.5885 168.129 73.9714 133.932 73.9712 -20.2457 GPRESSURE: 4115800 68.3657 42.6416 73.836 85.165 219.468 -13.7068 176.926 65.4005 16.7729 PRESSAVG: 4115800 -120.026 -36.3956 25.4779 -36.3956 -24.8278 8.15052 25.478 8.15054 131.982 GPRESSAVG: 4115800 -120.055 -35.8708 27.9167 -35.1758 -24.9763 7.50906 23.8154 9.05161 132.302 TIMING: 4115800 CPU: 11918.5, 0.00291366/step Wall: 11918.5, 0.00291366/step, 0.715627 hours remaining, 210.281250 MB of memory in use. ENERGY: 4115800 717.3548 2099.5387 1964.8194 107.8871 -206704.5759 18086.9419 0.0000 0.0000 34479.5578 -149248.4762 301.1186 -183728.0340 -149154.1714 299.8512 64.7607 101.5356 557584.0094 -4.2904 -4.2430 PRESSURE: 4116000 207.976 -216.237 140.939 -216.236 119.787 -21.5563 140.94 -21.5577 -117.209 GPRESSURE: 4116000 211.292 -198.906 128.189 -212.14 152.148 -13.2753 103.386 -23.174 -68.2235 PRESSAVG: 4116000 -7.62302 24.5499 -13.7208 24.5497 24.7648 -24.1876 -13.7208 -24.1877 14.3135 GPRESSAVG: 4116000 -7.39439 24.6771 -15.8445 24.9035 25.5977 -23.4047 -13.6407 -24.9476 12.851 TIMING: 4116000 CPU: 11919.1, 0.00287897/step Wall: 11919.1, 0.00287897/step, 0.706947 hours remaining, 210.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4116000 742.1099 2110.8069 1969.6692 113.9744 -206712.1930 18002.0556 0.0000 0.0000 34206.0691 -149567.5080 298.7301 -183773.5771 -149470.0727 299.4560 70.1847 98.4056 557145.9938 10.4851 10.3514 PRESSURE: 4116200 2.63212 -32.2876 2.84574 -32.2875 -116.323 63.6923 2.84605 63.6913 -53.6694 GPRESSURE: 4116200 71.663 -97.2584 -26.6264 4.17322 -106.308 3.61899 -52.35 127.735 -53.0624 PRESSAVG: 4116200 -37.3153 -79.2337 -18.6774 -79.2336 -14.7088 22.6489 -18.6773 22.6488 33.0498 GPRESSAVG: 4116200 -37.1679 -77.2375 -18.8381 -80.1212 -15.6804 19.739 -18.0286 25.2747 33.461 TIMING: 4116200 CPU: 11919.7, 0.00287602/step Wall: 11919.7, 0.00287602/step, 0.706063 hours remaining, 210.281250 MB of memory in use. ENERGY: 4116200 755.6369 2103.6497 1972.1723 100.3486 -206678.5993 17871.5330 0.0000 0.0000 34304.3691 -149570.8898 299.5886 -183875.2589 -149476.2421 297.9860 -55.7866 -29.2357 556707.9975 -6.3248 -6.4624 LDB: ============= START OF LOAD BALANCING ============== 11923.1 LDB: ============== END OF LOAD BALANCING =============== 11923.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11923.1 LDB: ============= START OF LOAD BALANCING ============== 11923.4 LDB: Largest compute 4773 load 0.023388 is 19.8% of average load 0.118073 LDB: Average compute 0.001735 is 1.5% of average load 0.118073 LDB: TIME 11923.4 LOAD: AVG 0.118073 MAX 0.182062 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.793 MB LDB: TIME 11923.4 LOAD: AVG 0.118073 MAX 0.182062 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.793 MB LDB: TIME 11923.4 LOAD: AVG 0.118073 MAX 0.182062 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.793 MB LDB: ============== END OF LOAD BALANCING =============== 11923.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11923.4 PRESSURE: 4116400 268.235 -87.3125 131.941 -87.3128 -238.715 -89.2632 131.942 -89.2619 -10.3302 GPRESSURE: 4116400 314.043 -55.5226 113.882 -114.955 -229.046 -46.6818 78.3888 -36.055 32.3636 PRESSAVG: 4116400 26.1198 -1.76674 17.003 -1.76676 -32.4878 42.3823 17.0031 42.3822 -13.9741 GPRESSAVG: 4116400 25.5894 -2.97508 17.0815 -0.380683 -31.8411 43.6223 17.5485 42.7345 -13.8201 TIMING: 4116400 CPU: 11920.3, 0.00295071/step Wall: 11920.3, 0.00295071/step, 0.724236 hours remaining, 211.050781 MB of memory in use. ENERGY: 4116400 747.5934 2092.8317 1954.0680 127.7751 -206519.8446 17992.2158 0.0000 0.0000 34153.4710 -149451.8895 298.2708 -183605.3605 -149355.1956 297.7473 6.3966 39.1201 557632.7408 -6.7807 -6.6906 PRESSURE: 4116600 -53.3409 20.0687 -87.0216 20.068 151.965 108.91 -87.0211 108.908 61.59 GPRESSURE: 4116600 -58.2558 108.173 -98.4669 31.3991 235.756 137.994 -63.369 134.168 94.101 PRESSAVG: 4116600 -33.9149 28.8566 10.7134 28.8567 31.3959 70.4801 10.7134 70.4801 1.81568 GPRESSAVG: 4116600 -33.9408 27.9428 10.9886 26.4041 30.5044 72.1506 10.7905 68.9286 2.78749 TIMING: 4116600 CPU: 11920.8, 0.00286215/step Wall: 11920.8, 0.00286215/step, 0.702341 hours remaining, 211.253906 MB of memory in use. ENERGY: 4116600 792.0624 2076.0930 1946.2354 105.8834 -206736.6403 18170.2639 0.0000 0.0000 34249.8707 -149396.2316 299.1126 -183646.1023 -149300.9198 298.4399 53.4048 90.5339 557287.3274 -0.2345 -0.2163 PRESSURE: 4116800 -136.646 49.4278 71.084 49.4279 -175.826 24.5403 71.0843 24.5396 -27.9396 GPRESSURE: 4116800 -74.7381 -66.4483 54.0196 -28.6318 -181.213 29.8314 50.4022 -36.6702 7.33871 PRESSAVG: 4116800 -84.4427 2.61659 -40.4256 2.61666 17.4904 -35.228 -40.4256 -35.2279 29.2117 GPRESSAVG: 4116800 -82.7494 2.93345 -39.8456 1.15188 16.6987 -34.6659 -42.4178 -35.0046 28.4477 TIMING: 4116800 CPU: 11921.4, 0.00286081/step Wall: 11921.4, 0.00286081/step, 0.701852 hours remaining, 211.253906 MB of memory in use. ENERGY: 4116800 760.1040 2049.8331 1981.6999 109.9980 -206567.2313 17919.5884 0.0000 0.0000 34433.5996 -149312.4083 300.7172 -183746.0078 -149212.9298 298.4334 -113.4706 -82.8709 559246.3127 -12.5802 -12.5343 PRESSURE: 4117000 227.475 114.135 62.761 114.135 146.806 41.9319 62.7612 41.9326 11.0429 GPRESSURE: 4117000 235.851 70.1511 54.3149 143.91 225.675 54.0788 22.0776 31.6385 20.6243 PRESSAVG: 4117000 61.4222 -21.3293 -26.1093 -21.3292 -40.8278 6.94738 -26.1092 6.9474 -28.4953 GPRESSAVG: 4117000 59.9713 -21.6332 -26.5362 -18.9255 -38.8327 6.29341 -25.2501 6.91815 -29.0624 TIMING: 4117000 CPU: 11922, 0.00288846/step Wall: 11922, 0.00288846/step, 0.708476 hours remaining, 211.253906 MB of memory in use. ENERGY: 4117000 726.3147 2125.3433 1955.2798 106.2083 -206581.3845 17889.2087 0.0000 0.0000 34443.1205 -149335.9092 300.8003 -183779.0297 -149227.8952 299.0389 128.4415 160.7168 555883.5025 -2.6336 -2.6413 PRESSURE: 4117200 128.045 -39.2597 -7.31034 -39.2604 56.1964 66.9184 -7.31126 66.9193 -82.2561 GPRESSURE: 4117200 122.351 -78.7251 -28.3387 -33.1082 94.9728 47.3981 14.7812 15.8874 -10.8947 PRESSAVG: 4117200 -9.15836 -1.89944 -24.0322 -1.89942 24.4771 -29.9627 -24.0322 -29.9627 44.107 GPRESSAVG: 4117200 -8.25343 -0.205906 -24.061 -4.00084 22.9235 -28.8748 -23.8714 -31.7889 44.8235 TIMING: 4117200 CPU: 11922.6, 0.00287565/step Wall: 11922.6, 0.00287565/step, 0.705173 hours remaining, 211.253906 MB of memory in use. ENERGY: 4117200 761.4791 2148.9551 1947.9473 105.0797 -206245.7018 17781.1191 0.0000 0.0000 34265.2586 -149235.8628 299.2470 -183501.1214 -149142.7515 299.4024 33.9951 68.8098 555561.0007 19.8086 19.8312 PRESSURE: 4117400 -87.5577 86.2187 4.59005 86.2198 131.306 65.9555 4.59166 65.9547 62.2072 GPRESSURE: 4117400 -38.4901 107.206 34.7452 57.7617 143.791 30.2577 -42.7774 118.507 115.168 PRESSAVG: 4117400 28.005 -7.93255 25.899 -7.93251 -18.2547 -43.0224 25.8989 -43.0224 13.1441 GPRESSAVG: 4117400 27.9876 -7.80152 26.4108 -6.46174 -17.9457 -42.8856 25.7329 -42.2148 13.0456 TIMING: 4117400 CPU: 11923.1, 0.00286307/step Wall: 11923.1, 0.00286307/step, 0.70193 hours remaining, 211.253906 MB of memory in use. ENERGY: 4117400 740.2332 2054.0723 1947.0537 122.3650 -206442.4448 17962.4274 0.0000 0.0000 34343.7053 -149272.5879 299.9321 -183616.2932 -149169.9239 299.1123 35.3186 73.4896 555840.9216 7.6315 7.6958 PRESSURE: 4117600 -137.025 111.783 229.113 111.783 105.938 12.4714 229.113 12.4726 -75.588 GPRESSURE: 4117600 -83.539 55.7718 117.758 141.151 137.332 159.819 275.524 -28.6542 -61.9934 PRESSAVG: 4117600 -36.4062 28.6442 -8.86222 28.6442 16.4048 -4.25147 -8.86214 -4.25149 34.065 GPRESSAVG: 4117600 -37.1275 27.1496 -8.90883 28.0499 17.7533 -5.01988 -7.72491 -5.12099 33.4496 TIMING: 4117600 CPU: 11923.7, 0.00289048/step Wall: 11923.7, 0.00289048/step, 0.708489 hours remaining, 211.253906 MB of memory in use. ENERGY: 4117600 743.4331 2069.1420 1962.3289 99.8495 -206341.4925 17544.0022 0.0000 0.0000 34388.6151 -149534.1218 300.3243 -183922.7369 -149440.3326 299.7874 -35.5584 -2.7334 555047.6245 4.6878 4.6918 PRESSURE: 4117800 -39.8711 -51.3207 -42.8333 -51.3219 69.4663 16.0734 -42.8324 16.0747 217.758 GPRESSURE: 4117800 3.81513 -42.0272 -14.0941 -138.733 103.711 59.0114 -63.3986 -16.1502 238.78 PRESSAVG: 4117800 -8.10353 -38.28 20.9095 -38.2799 56.5158 -39.0851 20.9095 -39.0849 12.1475 GPRESSAVG: 4117800 -7.06486 -38.6574 19.9762 -37.2675 55.7047 -40.5793 20.3535 -38.2128 12.9118 TIMING: 4117800 CPU: 11924.3, 0.00286299/step Wall: 11924.3, 0.00286299/step, 0.701591 hours remaining, 211.253906 MB of memory in use. ENERGY: 4117800 716.5082 2060.6639 1930.4647 112.7329 -206599.1428 18044.2111 0.0000 0.0000 34059.1348 -149675.4272 297.4469 -183734.5620 -149577.7743 298.2456 82.4509 115.4352 557862.4481 20.1866 20.5172 PRESSURE: 4118000 73.5452 114.261 79.0755 114.261 104.983 50.0996 79.0745 50.099 14.9846 GPRESSURE: 4118000 103.009 158.568 66.7438 114.698 198.482 -1.57786 -26.3962 82.8861 -9.57827 PRESSAVG: 4118000 13.6426 49.7123 -44.5127 49.7123 -0.0254283 -10.1167 -44.5128 -10.1166 29.0516 GPRESSAVG: 4118000 12.6053 49.8524 -43.1447 48.7077 0.968711 -10.0421 -45.5263 -11.834 29.3411 TIMING: 4118000 CPU: 11924.9, 0.00285272/step Wall: 11924.9, 0.00285272/step, 0.698916 hours remaining, 211.253906 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: 4118000 739.4788 2051.7830 1917.8692 115.4716 -206461.8270 17904.1870 0.0000 0.0000 34018.1531 -149714.8842 297.0890 -183733.0373 -149614.0508 297.9215 64.5043 97.3043 556338.1983 14.2229 14.3050 PRESSURE: 4118200 41.762 -155.106 -37.217 -155.106 -186.357 -45.9321 -37.2183 -45.9319 92.9382 GPRESSURE: 4118200 101.577 -130.096 -20.6081 -117.116 -163.874 -5.11627 82.933 70.3018 110.822 PRESSAVG: 4118200 -38.5628 -18.0711 26.8397 -18.071 -3.61677 -18.1382 26.8398 -18.1381 18.4261 GPRESSAVG: 4118200 -38.2923 -17.9931 25.7105 -17.0075 -4.35251 -17.8776 29.994 -17.0432 18.458 TIMING: 4118200 CPU: 11925.4, 0.00286417/step Wall: 11925.4, 0.00286417/step, 0.701563 hours remaining, 211.253906 MB of memory in use. ENERGY: 4118200 735.6263 2049.0119 1939.9630 101.8399 -206627.8789 17967.3772 0.0000 0.0000 34367.2170 -149466.8436 300.1375 -183834.0607 -149362.7585 298.2286 -17.2190 16.1752 557788.8800 -7.9178 -8.0623 PRESSURE: 4118400 -52.4629 -62.2722 28.2574 -62.2725 -168.29 50.307 28.2578 50.3069 119.185 GPRESSURE: 4118400 -39.3435 -22.7729 31.1176 -123.97 -127.311 35.0942 -28.1242 66.5223 170.59 PRESSAVG: 4118400 49.0455 -14.2665 -30.4244 -14.2665 -4.94482 19.7415 -30.4243 19.7416 -23.9606 GPRESSAVG: 4118400 50.3993 -14.8282 -29.1396 -14.7308 -6.48647 18.7848 -31.1182 19.689 -23.4831 TIMING: 4118400 CPU: 11926, 0.00285858/step Wall: 11926, 0.00285858/step, 0.700034 hours remaining, 211.253906 MB of memory in use. ENERGY: 4118400 726.1975 2102.9445 1960.2328 110.6364 -206396.9934 17792.4100 0.0000 0.0000 34283.9748 -149420.5975 299.4105 -183704.5722 -149329.7812 298.3754 -33.8560 1.3119 558394.6236 6.7134 6.8099 PRESSURE: 4118600 15.8244 40.5772 -172.262 40.5773 -177.684 -178.34 -172.262 -178.34 70.8184 GPRESSURE: 4118600 12.207 11.7467 -96.9094 57.7553 -124.595 -92.8095 -176.627 -140.102 116.807 PRESSAVG: 4118600 5.88991 -35.2664 8.43407 -35.2665 -56.4644 -29.9134 8.43406 -29.9135 64.8903 GPRESSAVG: 4118600 5.49289 -34.9337 7.58438 -34.643 -55.2339 -28.8897 7.34749 -30.2572 63.762 TIMING: 4118600 CPU: 11926.6, 0.00287758/step Wall: 11926.6, 0.00287759/step, 0.704529 hours remaining, 211.253906 MB of memory in use. ENERGY: 4118600 732.3474 2081.8473 1924.6831 109.6033 -206243.4362 17642.0701 0.0000 0.0000 34171.5093 -149581.3758 298.4283 -183752.8851 -149482.4203 298.5546 -30.3471 1.4728 556671.0767 4.7720 4.6737 PRESSURE: 4118800 -191.54 47.0824 -42.4963 47.0822 -27.9579 215.038 -42.4967 215.037 -130.731 GPRESSURE: 4118800 -126.647 96.1637 -56.6452 -4.75694 -44.1651 183.933 41.7047 221.406 -81.6832 PRESSAVG: 4118800 -95.2389 -7.31397 -71.1891 -7.31394 -27.2205 -24.2466 -71.1891 -24.2467 82.0835 GPRESSAVG: 4118800 -94.7911 -7.47173 -71.7343 -7.84262 -28.4866 -24.6517 -69.9776 -22.2961 82.5231 TIMING: 4118800 CPU: 11927.2, 0.00287113/step Wall: 11927.2, 0.00287113/step, 0.702789 hours remaining, 211.253906 MB of memory in use. ENERGY: 4118800 721.4702 2042.1537 1949.7552 106.7418 -206476.9724 17638.1013 0.0000 0.0000 34354.0838 -149664.6665 300.0228 -184018.7502 -149562.0054 297.7155 -116.7431 -84.1650 557620.0775 -13.4586 -13.5849 PRESSURE: 4119000 -270.962 -13.8825 65.5821 -13.8838 -48.7656 126.728 65.5812 126.727 -249.418 GPRESSURE: 4119000 -222.051 -106.502 99.8387 44.2522 -69.0147 136.476 60.5015 101.293 -178.629 PRESSAVG: 4119000 0.570519 19.5283 -14.5875 19.5282 13.1743 -31.7746 -14.5875 -31.7745 1.99089 GPRESSAVG: 4119000 -0.298676 19.9363 -13.2936 19.1867 14.361 -29.6047 -16.0192 -33.3163 1.41843 TIMING: 4119000 CPU: 11927.7, 0.00287722/step Wall: 11927.7, 0.00287722/step, 0.704119 hours remaining, 211.253906 MB of memory in use. ENERGY: 4119000 792.4100 2040.3098 1968.5227 114.6254 -206328.7033 17795.1724 0.0000 0.0000 34020.5037 -149597.1594 297.1095 -183617.6630 -149501.5400 297.9171 -189.7151 -156.5650 558069.0833 5.2452 5.1602 PRESSURE: 4119200 -272.81 180.585 -76.9692 180.583 167.734 41.3386 -76.9696 41.3386 -166.849 GPRESSURE: 4119200 -237.238 151.285 -42.0752 172.501 215.837 -21.3131 -64.0684 19.7249 -162.433 PRESSAVG: 4119200 -36.02 -27.9647 -16.549 -27.9648 45.9268 70.6506 -16.549 70.6505 -34.3744 GPRESSAVG: 4119200 -34.1002 -28.2073 -16.0895 -29.6963 46.1413 69.872 -16.4898 70.7464 -36.7117 TIMING: 4119200 CPU: 11928.3, 0.0029075/step Wall: 11928.3, 0.0029075/step, 0.711369 hours remaining, 211.253906 MB of memory in use. ENERGY: 4119200 726.6319 2088.3642 1970.9234 115.6332 -206092.2859 17763.0301 0.0000 0.0000 33989.8024 -149437.9006 296.8414 -183427.7031 -149346.9960 297.8251 -90.6416 -61.2781 557718.6487 -8.1559 -8.2235 PRESSURE: 4119400 -188.617 -222.574 -234.003 -222.573 -152.505 -1.09346 -234.002 -1.09245 -17.6367 GPRESSURE: 4119400 -168.897 -168.264 -242.882 -206.736 -118.786 -6.33021 -192.468 -99.5721 34.1793 PRESSAVG: 4119400 -4.23293 -7.32783 -36.2216 -7.32781 12.1586 -14.0982 -36.2216 -14.0982 -11.6478 GPRESSAVG: 4119400 -6.87329 -7.41537 -38.1359 -4.95128 12.1098 -14.5878 -34.4257 -13.4808 -8.79085 TIMING: 4119400 CPU: 11928.9, 0.00287223/step Wall: 11928.9, 0.00287223/step, 0.702578 hours remaining, 211.253906 MB of memory in use. ENERGY: 4119400 785.1553 2094.7328 1949.4490 113.3040 -206444.6817 17782.1229 0.0000 0.0000 34269.5555 -149450.3622 299.2846 -183719.9177 -149354.0830 298.1549 -119.5862 -84.5011 558106.7719 -1.2407 -1.1848 PRESSURE: 4119600 -222.607 -53.4132 12.1688 -53.4134 -210.621 50.725 12.1692 50.7252 -65.772 GPRESSURE: 4119600 -145.849 43.8691 67.6586 -156.076 -191.139 45.9926 -61.6456 54.3726 -80.6136 PRESSAVG: 4119600 -30.374 -30.1867 -39.1428 -30.1867 26.9614 -8.82147 -39.1429 -8.82163 5.71767 GPRESSAVG: 4119600 -29.6857 -31.3488 -37.4596 -31.1628 25.7695 -9.28869 -40.1364 -8.87176 5.92174 TIMING: 4119600 CPU: 11929.5, 0.00289/step Wall: 11929.5, 0.00289/step, 0.706766 hours remaining, 211.253906 MB of memory in use. ENERGY: 4119600 760.8762 2143.9516 1958.1251 111.0492 -206026.8736 17511.4563 0.0000 0.0000 34191.7233 -149349.6918 298.6048 -183541.4151 -149255.2745 298.8112 -166.3334 -139.2006 556284.2262 0.7684 0.6685 PRESSURE: 4119800 -56.657 207.531 -103.869 207.53 -203.096 23.5521 -103.869 23.5512 -173.108 GPRESSURE: 4119800 -49.6978 153.162 -157.565 260.965 -127.956 59.8929 18.0978 37.8412 -156.172 PRESSAVG: 4119800 19.2873 -13.4804 -25.9877 -13.4803 -11.4839 -17.9561 -25.9877 -17.9561 -24.0667 GPRESSAVG: 4119800 18.8991 -13.0909 -26.8995 -12.2988 -11.5655 -16.534 -26.0928 -17.8699 -23.8261 TIMING: 4119800 CPU: 11930, 0.00286895/step Wall: 11930, 0.00286895/step, 0.701459 hours remaining, 211.253906 MB of memory in use. ENERGY: 4119800 718.7281 2163.9948 1935.6876 118.9669 -206074.1756 17550.3299 0.0000 0.0000 34279.2368 -149307.2315 299.3691 -183586.4683 -149212.8068 298.4642 -144.2870 -111.2753 557371.3009 -5.4211 -5.4975 PRESSURE: 4120000 -40.9543 -77.354 109.087 -77.3551 -96.0519 -101.911 109.085 -101.912 -385.601 GPRESSURE: 4120000 -55.7172 -50.7901 125.273 -160.629 -18.6094 -38.2816 45.2882 -119.417 -346.695 PRESSAVG: 4120000 -40.108 37.7047 15.0196 37.7047 -1.19156 -5.70598 15.0195 -5.70604 26.3543 GPRESSAVG: 4120000 -39.8474 38.0313 15.8815 36.7834 -0.0727204 -8.21789 16.5683 -3.43502 24.6761 TIMING: 4120000 CPU: 11930.6, 0.00288266/step Wall: 11930.6, 0.00288265/step, 0.704649 hours remaining, 211.253906 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: 4120000 767.7849 2113.1783 1981.5208 115.3097 -205937.8318 17560.5765 0.0000 0.0000 34101.0669 -149298.3947 297.8131 -183399.4616 -149197.2269 299.4942 -174.2024 -140.3405 557556.1184 -4.9818 -5.0813 PRESSURE: 4120200 -40.5489 -47.9212 89.6925 -47.9201 51.4286 35.9673 89.6921 35.9664 45.9621 GPRESSURE: 4120200 -40.0595 -85.358 88.4321 37.9621 85.2524 8.91027 32.718 30.2267 113.029 PRESSAVG: 4120200 30.592 -25.5717 13.6076 -25.5717 1.83735 12.6246 13.6075 12.6246 -28.926 GPRESSAVG: 4120200 30.5017 -28.0494 11.83 -24.6612 0.0807291 15.8133 11.8252 9.73619 -27.2108 TIMING: 4120200 CPU: 11931.2, 0.00286895/step Wall: 11931.2, 0.00286895/step, 0.701139 hours remaining, 211.253906 MB of memory in use. ENERGY: 4120200 783.0549 2133.2132 1963.2514 112.5273 -206509.4610 17848.9296 0.0000 0.0000 34367.2261 -149301.2584 300.1375 -183668.4846 -149214.4005 300.1810 18.9473 52.7405 555701.8487 1.1678 1.1239 LDB: ============= START OF LOAD BALANCING ============== 11934.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11934.6 LDB: =============== DONE WITH MIGRATION ================ 11934.6 LDB: ============= START OF LOAD BALANCING ============== 11934.9 LDB: Largest compute 4773 load 0.024732 is 20.9% of average load 0.118092 LDB: Average compute 0.001732 is 1.5% of average load 0.118092 LDB: TIME 11934.9 LOAD: AVG 0.118092 MAX 0.177726 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.098 MB LDB: TIME 11934.9 LOAD: AVG 0.118092 MAX 0.177726 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.105 MB LDB: TIME 11934.9 LOAD: AVG 0.118092 MAX 0.177726 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.105 MB LDB: ============== END OF LOAD BALANCING =============== 11934.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11934.9 PRESSURE: 4120400 96.2675 22.0164 -125.225 22.0162 104.964 83.3367 -125.226 83.3379 -32.1123 GPRESSURE: 4120400 130.607 35.6665 -157.729 40.8708 154.638 12.0052 -97.6261 71.8067 -20.6367 PRESSAVG: 4120400 0.511303 17.827 -35.6788 17.8271 22.9624 -60.5337 -35.6788 -60.5338 -23.4657 GPRESSAVG: 4120400 0.963437 19.5526 -35.0397 16.026 23.3878 -62.439 -34.7856 -58.7334 -24.7342 TIMING: 4120400 CPU: 11931.8, 0.00292727/step Wall: 11931.8, 0.00292727/step, 0.715229 hours remaining, 211.890625 MB of memory in use. ENERGY: 4120400 755.8828 2042.3054 1945.9583 108.4062 -206451.2908 18001.4724 0.0000 0.0000 34278.7927 -149318.4730 299.3652 -183597.2657 -149224.2128 299.3909 56.3729 88.2026 556222.6421 0.0027 -0.1277 PRESSURE: 4120600 54.8772 57.0095 -93.9869 57.0098 -25.0117 206.485 -93.9873 206.485 -119.091 GPRESSURE: 4120600 19.1019 57.044 -28.5091 107.233 59.4835 106.165 -70.9243 207.75 -75.935 PRESSAVG: 4120600 50.4475 -38.9687 8.35874 -38.9686 -65.6819 -28.5703 8.35879 -28.5702 -13.6807 GPRESSAVG: 4120600 49.6411 -40.5113 9.03281 -36.122 -64.6241 -27.1528 7.56714 -29.8915 -14.2757 TIMING: 4120600 CPU: 11932.3, 0.00286446/step Wall: 11932.3, 0.00286446/step, 0.699724 hours remaining, 211.960938 MB of memory in use. ENERGY: 4120600 761.3562 2134.4062 1942.5790 124.0965 -206367.6883 17793.1672 0.0000 0.0000 34239.6915 -149372.3917 299.0237 -183612.0831 -149266.4780 299.1608 -29.7419 0.8835 557056.7262 -9.6384 -9.7529 PRESSURE: 4120800 -149.62 94.7579 -106.494 94.7593 -304.003 -167.82 -106.494 -167.817 -158.745 GPRESSURE: 4120800 -134.358 162.189 -144.207 56.6001 -311.981 -183.911 -19.9278 -120.433 -70.6446 PRESSAVG: 4120800 42.4942 4.21855 3.20945 4.21861 -50.5482 -13.7551 3.20943 -13.7551 18.9867 GPRESSAVG: 4120800 41.9935 4.75009 1.48069 2.52691 -51.4993 -15.9934 4.47743 -13.2066 19.8486 TIMING: 4120800 CPU: 11932.9, 0.00285807/step Wall: 11932.9, 0.00285807/step, 0.698004 hours remaining, 211.960938 MB of memory in use. ENERGY: 4120800 773.9539 2089.6271 1952.5460 108.4996 -205965.5413 17499.7503 0.0000 0.0000 34058.2814 -149482.8831 297.4394 -183541.1644 -149392.7164 298.6598 -204.1225 -172.3277 558317.2735 3.6442 3.4476 PRESSURE: 4121000 -1.0776 -34.1823 125.058 -34.1819 129.987 92.2452 125.059 92.2454 75.0355 GPRESSURE: 4121000 38.0212 -72.0493 74.8025 -63.0695 190.165 53.0613 107.72 134.678 67.5118 PRESSAVG: 4121000 -4.76474 -26.4392 14.9114 -26.4392 8.5405 -13.3389 14.9113 -13.3389 -27.1786 GPRESSAVG: 4121000 -3.44407 -27.5625 17.357 -26.7565 7.73783 -12.5238 13.2877 -10.5038 -27.5966 TIMING: 4121000 CPU: 11933.5, 0.00286772/step Wall: 11933.5, 0.00286772/step, 0.700202 hours remaining, 211.960938 MB of memory in use. ENERGY: 4121000 758.2694 2108.6435 1988.1356 119.6534 -206814.1473 18199.4787 0.0000 0.0000 34119.9452 -149520.0215 297.9780 -183639.9666 -149415.4991 297.7410 67.9818 98.5659 557858.5489 -7.8009 -7.7676 PRESSURE: 4121200 188.353 141.732 105.307 141.732 138.964 259.315 105.306 259.314 -70.4881 GPRESSURE: 4121200 241.301 136.563 131.888 156.525 136.307 242.031 53.5308 229.565 -21.5747 PRESSAVG: 4121200 54.4003 -9.21563 -5.51522 -9.21554 -20.9689 64.859 -5.51524 64.859 4.36244 GPRESSAVG: 4121200 54.4419 -7.05964 -7.94207 -9.67551 -21 68.4135 -4.92541 60.2978 4.33703 TIMING: 4121200 CPU: 11934.1, 0.00286737/step Wall: 11934.1, 0.00286736/step, 0.699956 hours remaining, 211.960938 MB of memory in use. ENERGY: 4121200 731.5409 2152.0452 1965.0321 111.1533 -206658.0513 17991.6782 0.0000 0.0000 34331.0728 -149375.5289 299.8218 -183706.6017 -149268.5291 298.9808 85.6097 118.6780 557719.7395 12.5980 12.5930 PRESSURE: 4121400 -86.9563 2.74296 -129.109 2.74267 -37.9162 -195.154 -129.106 -195.155 -95.4226 GPRESSURE: 4121400 -68.7019 32.5948 -138.113 -1.93669 33.4868 -194.604 -144.543 -169.061 -69.8038 PRESSAVG: 4121400 -4.2259 -34.2244 2.35829 -34.2245 9.33254 4.62427 2.35825 4.62429 -65.4693 GPRESSAVG: 4121400 -4.02924 -32.8877 3.69989 -33.7379 9.71538 2.39916 3.99414 8.1273 -65.5885 TIMING: 4121400 CPU: 11934.6, 0.00286359/step Wall: 11934.6, 0.00286359/step, 0.698875 hours remaining, 211.960938 MB of memory in use. ENERGY: 4121400 745.7231 2113.2715 1949.5747 118.1783 -206578.6954 17880.0954 0.0000 0.0000 34237.5330 -149534.3194 299.0049 -183771.8524 -149435.3453 298.4892 -73.4317 -35.0063 557806.8050 -20.1209 -19.9675 PRESSURE: 4121600 -70.2199 158.434 95.9141 158.435 12.4897 -67.4977 95.9134 -67.4986 -24.1781 GPRESSURE: 4121600 -2.37243 117.537 126.258 119.04 109.017 -97.2515 99.2649 -76.7344 -100.95 PRESSAVG: 4121600 10.3865 -14.5682 -5.50938 -14.5682 -5.11889 13.9163 -5.50937 13.9164 -2.74575 GPRESSAVG: 4121600 10.5349 -15.3911 -4.56292 -16.1239 -4.51302 12.4893 -6.88881 14.3616 -2.88716 TIMING: 4121600 CPU: 11935.2, 0.00285472/step Wall: 11935.2, 0.00285472/step, 0.696552 hours remaining, 211.960938 MB of memory in use. ENERGY: 4121600 761.2535 2050.6425 1937.8519 111.2390 -206452.5433 17949.6907 0.0000 0.0000 34098.7999 -149543.0659 297.7933 -183641.8658 -149440.3575 298.4801 -27.3028 1.8982 557015.1901 0.8406 1.0449 PRESSURE: 4121800 -68.0263 60.2225 -93.1317 60.2218 48.7478 101.924 -93.1328 101.923 73.439 GPRESSURE: 4121800 -42.8461 40.3493 -35.7091 2.45723 82.2575 104.406 -69.8701 123.074 123.676 PRESSAVG: 4121800 -69.8108 51.3153 8.98247 51.3153 36.747 -39.6307 8.9825 -39.6308 7.761 GPRESSAVG: 4121800 -70.5624 48.1612 9.00263 54.5106 36.9898 -38.5929 10.6262 -41.4357 7.83608 TIMING: 4121800 CPU: 11935.8, 0.00284787/step Wall: 11935.8, 0.00284787/step, 0.694723 hours remaining, 211.960938 MB of memory in use. ENERGY: 4121800 709.0280 2109.9978 1958.2496 114.1500 -206632.5856 17975.4274 0.0000 0.0000 34146.1238 -149619.6090 298.2066 -183765.7329 -149521.2723 298.7887 18.0535 54.3624 556356.5630 -8.4343 -8.5789 PRESSURE: 4122000 -60.0893 43.6921 -2.78349 43.6924 36.7478 32.0203 -2.78461 32.0205 -123.409 GPRESSURE: 4122000 -28.1605 105.611 -13.3891 78.5613 0.505617 -32.5646 43.2489 8.23026 -16.1399 PRESSAVG: 4122000 43.2643 3.8071 34.1441 3.80699 -2.41799 37.9879 34.1441 37.9878 -15.6992 GPRESSAVG: 4122000 43.5875 6.37182 33.039 2.27963 -3.74293 37.3086 33.9127 36.9249 -14.8458 TIMING: 4122000 CPU: 11936.3, 0.00284089/step Wall: 11936.3, 0.00284089/step, 0.692862 hours remaining, 211.960938 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: 4122000 753.0045 2076.1767 1919.4655 105.7585 -206562.2832 17753.9643 0.0000 0.0000 34386.6340 -149567.2798 300.3070 -183953.9138 -149463.6508 298.3089 -48.9170 -14.5983 557027.6819 8.3823 8.3329 PRESSURE: 4122200 -26.8855 54.4748 50.1604 54.4754 -489.387 -206.164 50.1598 -206.164 167.71 GPRESSURE: 4122200 -21.2185 39.4273 37.6001 -3.65306 -397.646 -206.592 76.539 -111.82 174.433 PRESSAVG: 4122200 10.1071 -39.4599 4.21876 -39.4598 -2.6188 20.3135 4.21876 20.3136 5.65229 GPRESSAVG: 4122200 8.33571 -40.2032 5.14066 -39.2786 -1.47876 21.4241 3.98238 23.0015 6.3897 TIMING: 4122200 CPU: 11936.9, 0.00285848/step Wall: 11936.9, 0.00285848/step, 0.696992 hours remaining, 211.960938 MB of memory in use. ENERGY: 4122200 761.1431 2070.1119 1957.7898 114.7864 -206317.8493 17690.8638 0.0000 0.0000 34192.6040 -149530.5504 298.6125 -183723.1543 -149430.2359 298.6419 -116.1874 -81.4773 556796.0586 4.3802 4.4156 PRESSURE: 4122400 150.414 41.8522 -132.89 41.853 34.6847 78.9591 -132.89 78.9599 -193.833 GPRESSURE: 4122400 212.838 55.5577 -136.833 46.3664 45.2299 -20.8129 -129.523 220.448 -182.842 PRESSAVG: 4122400 -76.8063 -14.3464 -6.58023 -14.3464 -19.2092 13.9584 -6.58026 13.9583 31.394 GPRESSAVG: 4122400 -76.3393 -13.1993 -5.4535 -16.3759 -19.3423 13.4782 -8.32466 13.0092 31.4111 TIMING: 4122400 CPU: 11937.5, 0.00286184/step Wall: 11937.5, 0.00286184/step, 0.697654 hours remaining, 211.960938 MB of memory in use. ENERGY: 4122400 726.8015 2116.3217 1958.6269 115.4582 -206495.6339 17924.5073 0.0000 0.0000 34081.0698 -149572.8485 297.6385 -183653.9184 -149480.6729 298.7585 -2.9115 25.0753 557723.9092 -21.5405 -21.4235 PRESSURE: 4122600 -181.226 -85.6398 -85.3046 -85.6409 22.9096 167.316 -85.3049 167.319 -80.2517 GPRESSURE: 4122600 -150.554 -154.765 -28.6545 -24.3418 90.6876 86.8273 -70.7383 173.629 -82.1999 PRESSAVG: 4122600 3.53828 -29.4998 12.2652 -29.4999 -47.6267 20.882 12.2652 20.882 29.711 GPRESSAVG: 4122600 5.0267 -31.2614 11.1114 -27.6837 -47.7717 22.1598 11.9141 21.3543 28.9766 TIMING: 4122600 CPU: 11938.1, 0.00288537/step Wall: 11938.1, 0.00288537/step, 0.703229 hours remaining, 211.960938 MB of memory in use. ENERGY: 4122600 721.2004 2098.3279 1936.5726 113.5672 -206381.5073 17646.5344 0.0000 0.0000 34223.7641 -149641.5408 298.8846 -183865.3049 -149543.4064 298.2580 -79.5227 -47.3554 557293.8549 -4.7925 -4.5895 PRESSURE: 4122800 -52.9483 -33.1375 -238.502 -33.1368 137.182 43.5279 -238.502 43.5303 202.548 GPRESSURE: 4122800 9.43388 -56.5718 -197.831 -54.2959 131.669 83.0778 -182.369 -61.8137 256.944 PRESSAVG: 4122800 35.2839 -22.807 -53.1164 -22.8071 -5.05834 -5.00744 -53.1165 -5.00751 -32.1924 GPRESSAVG: 4122800 35.3092 -21.8041 -53.9137 -21.4847 -5.72799 -7.27086 -51.6884 -5.64382 -31.7985 TIMING: 4122800 CPU: 11938.6, 0.00287782/step Wall: 11938.6, 0.00287782/step, 0.701229 hours remaining, 211.960938 MB of memory in use. ENERGY: 4122800 753.9753 2041.8404 1964.3430 118.2668 -206750.3011 17987.2891 0.0000 0.0000 34136.6549 -149747.9315 298.1239 -183884.5864 -149647.4088 298.3325 95.5940 132.6821 555753.7831 -0.6556 -0.7391 PRESSURE: 4123000 -11.2631 -14.007 30.1078 -14.0086 165.223 97.3628 30.1086 97.3642 -104.018 GPRESSURE: 4123000 -0.158868 -17.2353 -27.445 -27.8308 216.759 133.625 55.2858 96.8946 -86.1726 PRESSAVG: 4123000 -18.9481 15.601 -31.23 15.601 102.697 30.8647 -31.23 30.8648 -86.9683 GPRESSAVG: 4123000 -19.245 14.8269 -32.3605 15.6157 103.613 30.7377 -30.8652 31.6841 -87.5933 TIMING: 4123000 CPU: 11939.2, 0.00287304/step Wall: 11939.2, 0.00287304/step, 0.699905 hours remaining, 211.960938 MB of memory in use. ENERGY: 4123000 736.4346 2099.6897 1947.8045 121.6318 -206704.2312 17987.7203 0.0000 0.0000 34002.1607 -149808.7896 296.9493 -183810.9503 -149722.0555 297.6877 16.6472 43.4758 556435.2796 -1.0731 -1.0751 PRESSURE: 4123200 -95.0844 23.6723 57.2967 23.6725 -344.535 1.0023 57.2967 1.00232 -20.5804 GPRESSURE: 4123200 -67.5792 64.4191 14.9874 32.5567 -260.337 -29.5107 38.272 15.4916 -29.8665 PRESSAVG: 4123200 -22.3924 16.059 -40.5977 16.0589 50.578 38.9543 -40.5976 38.9544 -0.216727 GPRESSAVG: 4123200 -21.8183 17.0741 -39.5703 14.2928 49.8256 41.7914 -41.9298 36.3873 0.187648 TIMING: 4123200 CPU: 11939.8, 0.00289493/step Wall: 11939.8, 0.00289493/step, 0.705077 hours remaining, 211.960938 MB of memory in use. ENERGY: 4123200 718.9827 2106.3980 1912.5905 106.1390 -206154.7276 17610.9460 0.0000 0.0000 34024.7670 -149674.9044 297.1468 -183699.6715 -149584.0138 298.0520 -153.3998 -119.2610 557305.0302 9.3229 9.3983 PRESSURE: 4123400 -207.61 -158.127 51.7178 -158.127 -119.137 26.4265 51.7182 26.4268 -22.5338 GPRESSURE: 4123400 -149.993 -201.418 65.0942 -121.546 -92.7592 50.7956 21.7005 113.302 -0.619863 PRESSAVG: 4123400 -1.68799 11.1905 15.8743 11.1905 -6.16804 -16.1404 15.8742 -16.1403 9.93924 GPRESSAVG: 4123400 -2.43915 10.7183 15.7738 12.8488 -5.46031 -15.8126 17.3874 -15.4044 10.4429 TIMING: 4123400 CPU: 11940.4, 0.00286363/step Wall: 11940.4, 0.00286363/step, 0.697294 hours remaining, 211.960938 MB of memory in use. ENERGY: 4123400 761.5279 2148.0436 1950.7442 106.3105 -206444.5961 17721.8284 0.0000 0.0000 34085.4325 -149670.7089 297.6766 -183756.1414 -149574.4891 298.0213 -116.4268 -81.1242 556740.4905 0.6944 0.8478 PRESSURE: 4123600 185.943 198.243 -36.2836 198.242 219.597 -90.7298 -36.283 -90.7291 235.239 GPRESSURE: 4123600 215.541 192.153 -70.6497 181.856 246.35 -42.2311 -91.2403 -237.605 270.671 PRESSAVG: 4123600 -14.2117 8.93895 23.7582 8.93883 -16.5362 -40.2029 23.7582 -40.203 0.212193 GPRESSAVG: 4123600 -13.9062 9.84137 23.0759 8.21108 -17.1285 -40.7841 23.3507 -41.4236 0.710179 TIMING: 4123600 CPU: 11940.9, 0.00287987/step Wall: 11940.9, 0.00287987/step, 0.701088 hours remaining, 211.960938 MB of memory in use. ENERGY: 4123600 709.5890 2085.1483 1966.8077 113.5247 -206998.1657 18058.5364 0.0000 0.0000 34346.6919 -149717.8676 299.9582 -184064.5596 -149623.4605 298.1422 213.5930 244.1873 556029.9022 -10.1786 -10.1082 PRESSURE: 4123800 -83.0705 -57.6258 -39.0742 -57.6257 3.88057 -115.463 -39.0731 -115.461 -169.885 GPRESSURE: 4123800 -74.6093 -80.6114 -43.3196 -36.6254 62.7933 -31.6532 -49.0687 -122.777 -149.412 PRESSAVG: 4123800 31.2297 -20.6576 6.29095 -20.6575 -6.58423 -50.1183 6.29095 -50.1182 11.0523 GPRESSAVG: 4123800 32.3776 -21.1855 8.89151 -21.3892 -6.83898 -50.0434 6.93066 -47.8858 10.4836 TIMING: 4123800 CPU: 11941.5, 0.00287607/step Wall: 11941.5, 0.00287607/step, 0.700004 hours remaining, 211.960938 MB of memory in use. ENERGY: 4123800 746.5460 2041.6519 1945.4510 111.5398 -206705.2115 17786.5876 0.0000 0.0000 34190.0731 -149883.3620 298.5904 -184073.4351 -149780.8643 298.1388 -83.0250 -53.7425 556599.7050 11.8993 12.0074 PRESSURE: 4124000 24.444 19.8846 -85.6182 19.8853 -81.5102 54.086 -85.618 54.085 -136.548 GPRESSURE: 4124000 82.8947 -24.227 -62.0979 17.8715 -58.9158 59.0265 -136.96 72.7513 -116.091 PRESSAVG: 4124000 -3.05819 14.8298 39.9233 14.8298 27.7591 19.4814 39.9234 19.4815 16.1884 GPRESSAVG: 4124000 -4.77869 13.9802 37.0587 14.6273 29.6314 21.6965 39.5253 19.6855 15.7599 TIMING: 4124000 CPU: 11942.1, 0.0028828/step Wall: 11942.1, 0.0028828/step, 0.70148 hours remaining, 211.960938 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: 4124000 717.9003 2065.6577 1949.3201 119.6561 -206433.0549 17655.1258 0.0000 0.0000 33901.7652 -150023.6297 296.0725 -183925.3949 -149921.1371 297.0547 -64.5382 -30.7039 557017.9202 13.6298 13.5375 PRESSURE: 4124200 -49.2476 -5.18107 -15.752 -5.1783 -356.67 -85.6466 -15.7524 -85.6463 212.548 GPRESSURE: 4124200 -24.0086 48.5587 57.7288 -26.5421 -368.662 -16.174 10.0816 -134.757 282.839 PRESSAVG: 4124200 -49.5858 -23.9988 -5.84895 -23.9988 30.9749 -47.8413 -5.84896 -47.8413 45.6432 GPRESSAVG: 4124200 -49.0499 -23.8545 -3.34276 -24.1801 29.3173 -49.6237 -6.34174 -47.7241 46.2893 TIMING: 4124200 CPU: 11942.7, 0.00287091/step Wall: 11942.7, 0.00287091/step, 0.69843 hours remaining, 211.960938 MB of memory in use. ENERGY: 4124200 769.3578 2042.5862 1966.8241 117.1549 -206481.1722 17849.7931 0.0000 0.0000 34001.7185 -149733.7374 296.9455 -183735.4559 -149631.4598 296.7886 -64.4566 -36.6104 558164.3161 9.0108 8.8522 LDB: ============= START OF LOAD BALANCING ============== 11946.1 LDB: ============== END OF LOAD BALANCING =============== 11946.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11946.1 LDB: ============= START OF LOAD BALANCING ============== 11946.3 LDB: Largest compute 4773 load 0.023417 is 19.8% of average load 0.118019 LDB: Average compute 0.001736 is 1.5% of average load 0.118019 LDB: TIME 11946.3 LOAD: AVG 0.118019 MAX 0.179051 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.461 MB LDB: TIME 11946.3 LOAD: AVG 0.118019 MAX 0.179051 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.703 MB LDB: TIME 11946.3 LOAD: AVG 0.118019 MAX 0.179051 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11946.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11946.4 PRESSURE: 4124400 16.0154 125.531 -137.985 125.532 255.684 109.406 -137.985 109.407 180.188 GPRESSURE: 4124400 62.3321 214.579 5.81664 146.637 269.617 159.624 -159.859 92.6434 233.03 PRESSAVG: 4124400 -51.8698 27.0395 -22.0723 27.0395 -41.1896 28.3455 -22.0722 28.3455 33.9181 GPRESSAVG: 4124400 -51.3317 28.0623 -25.2905 27.0465 -41.1087 26.9446 -20.3825 28.4705 33.8234 TIMING: 4124400 CPU: 11943.3, 0.00294205/step Wall: 11943.3, 0.00294205/step, 0.715571 hours remaining, 212.011719 MB of memory in use. ENERGY: 4124400 735.0853 2063.8905 1942.2642 120.4151 -206775.6449 18091.5471 0.0000 0.0000 34239.1196 -149583.3232 299.0187 -183822.4428 -149483.9790 297.4932 150.6292 188.3263 556446.9264 -19.7138 -19.5390 PRESSURE: 4124600 94.779 -40.4687 -93.104 -40.4694 -244.076 39.5151 -93.1038 39.516 34.926 GPRESSURE: 4124600 110.418 -25.1455 -25.5306 -78.6478 -176.495 -32.6036 -223.527 -52.1995 48.7108 PRESSAVG: 4124600 -61.5924 33.9296 -30.0181 33.9296 35.7579 18.789 -30.018 18.7889 54.984 GPRESSAVG: 4124600 -63.2734 32.9502 -28.6639 33.9953 37.227 19.7392 -32.0966 18.5393 54.5697 TIMING: 4124600 CPU: 11943.8, 0.00288035/step Wall: 11943.8, 0.00288035/step, 0.700405 hours remaining, 212.082031 MB of memory in use. ENERGY: 4124600 766.4169 2058.1863 1972.3681 111.2083 -206580.6748 17853.4157 0.0000 0.0000 34366.6678 -149452.4116 300.1327 -183819.0795 -149355.7261 298.4425 -38.1238 -5.7885 559700.4446 9.7165 9.5078 PRESSURE: 4124800 -117.363 61.8093 30.02 61.8091 -194.948 -34.5477 30.0204 -34.5462 -56.4242 GPRESSURE: 4124800 -72.6119 57.8175 -22.0958 34.3374 -173.113 79.4375 125.683 -55.3694 -24.0175 PRESSAVG: 4124800 -9.4796 26.9486 -34.9994 26.9487 -35.4237 -4.85701 -34.9995 -4.85699 26.3072 GPRESSAVG: 4124800 -8.51602 26.7646 -34.6321 25.6863 -37.4701 -4.71943 -35.3658 -4.77656 27.9756 TIMING: 4124800 CPU: 11944.4, 0.00286921/step Wall: 11944.4, 0.00286921/step, 0.697536 hours remaining, 212.082031 MB of memory in use. ENERGY: 4124800 760.1349 2110.6929 1932.7900 113.4617 -206406.6351 17865.5108 0.0000 0.0000 34150.1512 -149473.8936 298.2418 -183624.0448 -149377.7502 298.7517 -122.9120 -89.9143 558601.5647 -6.1987 -6.0035 PRESSURE: 4125000 -163.498 -23.1791 11.2656 -23.1797 19.7482 -93.0093 11.2655 -93.0092 -149.023 GPRESSURE: 4125000 -121.028 2.11556 10.9661 -20.6443 37.4811 -43.4897 22.683 -86.1747 -106.554 PRESSAVG: 4125000 31.7658 12.8704 8.37335 12.8703 -14.4851 -38.169 8.37324 -38.169 -15.5339 GPRESSAVG: 4125000 31.4392 13.5258 8.35032 14.563 -13.6202 -38.4203 9.57987 -36.7317 -15.5214 TIMING: 4125000 CPU: 11945, 0.00288362/step Wall: 11945, 0.00288362/step, 0.70088 hours remaining, 212.082031 MB of memory in use. ENERGY: 4125000 771.1213 2119.0211 1944.8627 107.1914 -206257.4658 17663.7217 0.0000 0.0000 34115.9730 -149535.5745 297.9433 -183651.5475 -149445.8477 298.7849 -97.5908 -63.3667 556561.0178 0.5822 0.7659 PRESSURE: 4125200 -433.163 66.6989 55.9913 66.6975 -233.314 -79.0817 55.9925 -79.0824 115.449 GPRESSURE: 4125200 -398.979 84.5457 81.4524 28.3472 -178.951 -23.4853 20.2398 -66.1092 138.535 PRESSAVG: 4125200 -28.7974 -20.0715 25.6858 -20.0715 -12.216 -85.2072 25.686 -85.2072 26.2245 GPRESSAVG: 4125200 -27.3656 -19.7862 26.3232 -20.3748 -12.4481 -82.6119 25.4199 -87.5077 25.0692 TIMING: 4125200 CPU: 11945.6, 0.00288001/step Wall: 11945.6, 0.00288001/step, 0.699841 hours remaining, 212.082031 MB of memory in use. ENERGY: 4125200 761.5974 2087.5998 1941.8357 118.2899 -206485.5267 17791.1240 0.0000 0.0000 34227.1704 -149557.9094 298.9144 -183785.0799 -149459.2558 298.5784 -183.6759 -146.4651 557251.0158 -4.9296 -4.9148 PRESSURE: 4125400 25.929 92.7945 -134.377 92.7948 68.8827 -10.0372 -134.377 -10.0379 -203.833 GPRESSURE: 4125400 37.0544 53.6669 -28.8428 117.19 88.2922 60.523 -139.833 -62.0105 -137.145 PRESSAVG: 4125400 -65.0116 32.2704 -27.8077 32.2703 76.5483 -69.8492 -27.8078 -69.8491 2.77141 GPRESSAVG: 4125400 -65.9281 32.0764 -28.7416 32.7556 75.8081 -69.456 -27.2994 -68.9516 4.11754 TIMING: 4125400 CPU: 11946.1, 0.00286445/step Wall: 11946.1, 0.00286445/step, 0.695903 hours remaining, 212.082031 MB of memory in use. ENERGY: 4125400 761.7920 2072.2384 1984.3208 118.4704 -206238.2040 17812.9774 0.0000 0.0000 33952.5462 -149535.8588 296.5160 -183488.4050 -149441.1619 297.9080 -36.3404 -3.9327 556011.5551 4.7694 4.6658 PRESSURE: 4125600 -279.607 -13.8121 82.5412 -13.8106 -47.5881 46.5462 82.5413 46.547 -134.637 GPRESSURE: 4125600 -244.715 -14.4704 128.13 53.1514 -33.3103 88.0976 17.5587 -46.8783 -93.9874 PRESSAVG: 4125600 -58.5724 6.12223 -60.1987 6.12217 0.381811 -21.2622 -60.1987 -21.2622 44.2388 GPRESSAVG: 4125600 -57.4999 6.13966 -60.1995 5.05413 1.49516 -23.1452 -61.5432 -21.4223 42.2531 TIMING: 4125600 CPU: 11946.7, 0.00285589/step Wall: 11946.7, 0.00285589/step, 0.693664 hours remaining, 212.082031 MB of memory in use. ENERGY: 4125600 740.6923 2082.5734 1943.6886 105.5028 -206091.7203 17532.5261 0.0000 0.0000 34102.5387 -149584.1983 297.8260 -183686.7370 -149494.8543 298.8078 -153.9439 -124.0043 556631.8417 -4.6506 -4.5839 PRESSURE: 4125800 -27.9088 17.7047 19.6076 17.7049 -122.616 -42.2341 19.6067 -42.2364 20.0724 GPRESSURE: 4125800 22.8441 0.331028 62.9793 -29.0123 -108.564 -0.191631 47.9492 -17.8427 58.8161 PRESSAVG: 4125800 -38.6752 -61.8973 14.6801 -61.8973 43.9896 -11.9987 14.6802 -11.9986 6.28946 GPRESSAVG: 4125800 -39.7915 -62.5504 15.2461 -60.7307 44.5837 -11.988 14.6801 -12.4693 7.11975 TIMING: 4125800 CPU: 11947.3, 0.00285537/step Wall: 11947.3, 0.00285537/step, 0.693379 hours remaining, 212.082031 MB of memory in use. ENERGY: 4125800 703.9561 2108.0361 1956.7059 111.6989 -205856.9108 17559.7027 0.0000 0.0000 34153.7806 -149263.0305 298.2735 -183416.8111 -149173.8105 298.2492 -43.4842 -8.9680 558427.6541 3.8679 3.9707 PRESSURE: 4126000 143.807 74.6369 -29.2548 74.6353 233.605 45.2104 -29.2547 45.2106 -199.246 GPRESSURE: 4126000 230.201 57.3146 -47.1616 76.2915 207.551 28.6037 -75.2649 54.2213 -156.142 PRESSAVG: 4126000 47.4503 3.97022 -52.3694 3.9703 -8.3838 43.8432 -52.3693 43.8432 -62.9975 GPRESSAVG: 4126000 47.0612 5.53588 -53.1503 2.68467 -8.769 42.4577 -52.4513 44.6971 -62.1561 TIMING: 4126000 CPU: 11947.8, 0.00286719/step Wall: 11947.8, 0.00286719/step, 0.69609 hours remaining, 212.082031 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: 4126000 763.4392 2071.7125 1914.2995 118.2080 -206263.8839 17917.5909 0.0000 0.0000 34311.2818 -149167.3520 299.6490 -183478.6339 -149075.6187 299.3826 59.3888 93.8701 557426.5920 -7.9770 -7.9546 PRESSURE: 4126200 -221.36 -105.894 74.6313 -105.895 -249.654 10.6601 74.6303 10.6599 87.5432 GPRESSURE: 4126200 -207.765 -82.5073 93.527 -76.7493 -203.284 -15.0294 98.2782 58.1322 116.655 PRESSAVG: 4126200 61.6738 -8.47871 -15.8169 -8.47873 -45.8116 42.2892 -15.8169 42.2891 -54.3304 GPRESSAVG: 4126200 62.3653 -10.1355 -16.3981 -6.40627 -45.6539 42.2814 -13.7202 42.4816 -54.182 TIMING: 4126200 CPU: 11948.4, 0.00289887/step Wall: 11948.4, 0.00289887/step, 0.703619 hours remaining, 212.082031 MB of memory in use. ENERGY: 4126200 771.9713 2133.7183 1951.8772 115.7073 -205793.8384 17534.0839 0.0000 0.0000 34061.4917 -149224.9888 297.4675 -183286.4805 -149126.3718 299.6228 -127.8236 -98.1312 557165.1978 -12.8228 -12.4902 PRESSURE: 4126400 -122.029 -1.35046 -87.9974 -1.35034 -295.364 -40.8878 -87.9974 -40.8885 -87.06 GPRESSURE: 4126400 -66.6628 15.4295 -106.171 -45.0607 -256.356 -84.6015 -91.74 2.76088 -82.3702 PRESSAVG: 4126400 6.99779 -41.6797 -3.46704 -41.6798 8.37135 7.9669 -3.46697 7.96681 -49.3875 GPRESSAVG: 4126400 8.39231 -42.5475 -1.88387 -42.567 8.66323 7.61134 -4.39999 6.92668 -50.8634 TIMING: 4126400 CPU: 11949, 0.00291725/step Wall: 11949, 0.00291725/step, 0.707919 hours remaining, 212.082031 MB of memory in use. ENERGY: 4126400 775.7429 2043.5595 1955.6987 122.2191 -206534.6627 17839.2334 0.0000 0.0000 34450.2144 -149347.9947 300.8623 -183798.2091 -149254.9690 298.6892 -168.1509 -135.1298 557014.7971 -11.3395 -11.2693 PRESSURE: 4126600 30.6904 -2.25607 -69.0356 -2.2564 27.5627 95.4804 -69.0361 95.4822 85.5043 GPRESSURE: 4126600 62.2539 63.1888 -56.771 -77.9521 36.8164 64.2177 -197.647 5.70857 128.061 PRESSAVG: 4126600 38.5883 -10.3588 -33.717 -10.3589 -42.1782 -39.3268 -33.7171 -39.3266 23.0702 GPRESSAVG: 4126600 38.0261 -8.57353 -34.4594 -13.1143 -41.8961 -37.6749 -34.8708 -39.7463 23.7883 TIMING: 4126600 CPU: 11949.6, 0.00289987/step Wall: 11949.6, 0.00289987/step, 0.703541 hours remaining, 212.082031 MB of memory in use. ENERGY: 4126600 736.9728 2072.9474 1951.9968 117.3969 -206715.0946 18049.5785 0.0000 0.0000 34194.7874 -149591.4148 298.6316 -183786.2022 -149482.3328 298.5634 47.9191 75.7103 557556.1806 6.4935 6.6394 PRESSURE: 4126800 268.257 -108.604 140.546 -108.604 102.409 -101.617 140.546 -101.617 221.956 GPRESSURE: 4126800 286.844 -94.1202 183.075 -145.997 114.716 -27.066 112.502 -137.299 282.246 PRESSAVG: 4126800 2.0045 -1.86539 -3.29036 -1.86535 -16.7534 -23.4314 -3.2903 -23.4315 -13.9156 GPRESSAVG: 4126800 1.84166 -1.53978 -3.22633 -1.365 -16.4863 -23.806 -1.23662 -22.3557 -13.7057 TIMING: 4126800 CPU: 11950.2, 0.00288429/step Wall: 11950.2, 0.00288429/step, 0.699601 hours remaining, 212.082031 MB of memory in use. ENERGY: 4126800 729.5487 2137.6349 1922.7315 118.3751 -206713.5229 18027.0372 0.0000 0.0000 34120.5040 -149657.6914 297.9828 -183778.1954 -149571.6912 297.9938 197.5408 227.9353 557637.4156 -9.5548 -9.4501 PRESSURE: 4127000 -159.97 158.17 -12.6618 158.17 127.492 197.987 -12.6613 197.989 197.637 GPRESSURE: 4127000 -145.488 112.412 9.70976 218.83 187.415 232.366 5.99107 185.7 216.69 PRESSAVG: 4127000 -17.1945 6.62049 30.9183 6.62047 17.3135 24.2711 30.9183 24.2711 -35.8932 GPRESSAVG: 4127000 -16.5143 6.90457 33.3644 7.27919 16.8691 23.5268 29.9203 24.1726 -35.9807 TIMING: 4127000 CPU: 11950.7, 0.00289576/step Wall: 11950.7, 0.00289576/step, 0.702221 hours remaining, 212.082031 MB of memory in use. ENERGY: 4127000 733.2167 2136.8303 1951.1606 123.7845 -206497.4654 17913.5516 0.0000 0.0000 33924.6313 -149714.2905 296.2722 -183638.9217 -149615.4388 297.6652 55.0530 86.2057 557239.1829 -11.9247 -11.8753 PRESSURE: 4127200 94.68 47.6449 -35.7527 47.6438 246.123 71.3505 -35.7522 71.3494 174.825 GPRESSURE: 4127200 132.959 -54.1149 -3.88639 66.2064 308.633 125.44 -24.95 59.657 186.641 PRESSAVG: 4127200 40.9313 -9.58687 -7.78801 -9.58694 -39.3239 12.1146 -7.78791 12.1147 22.8933 GPRESSAVG: 4127200 41.7454 -11.6649 -9.15813 -7.49722 -39.6281 12.3968 -9.50969 11.9083 21.7849 TIMING: 4127200 CPU: 11951.3, 0.0028915/step Wall: 11951.3, 0.0028915/step, 0.701027 hours remaining, 212.082031 MB of memory in use. ENERGY: 4127200 726.3169 2038.3890 1972.1903 104.1892 -206989.8661 18219.2679 0.0000 0.0000 34208.0773 -149721.4355 298.7476 -183929.5128 -149627.6510 297.7150 171.8761 209.4111 556335.7060 8.1669 7.9674 PRESSURE: 4127400 63.1912 43.9593 -121.005 43.96 -184.231 32.8539 -121.006 32.8542 67.5079 GPRESSURE: 4127400 125.774 -39.1168 -98.2629 29.6135 -142.077 4.04423 -103.632 33.6546 55.5401 PRESSAVG: 4127400 -10.7822 -35.8597 -38.5351 -35.8597 -15.2095 -7.22087 -38.5351 -7.22096 -11.3012 GPRESSAVG: 4127400 -12.1085 -35.5213 -38.6306 -37.4274 -15.5591 -7.09649 -36.8169 -6.84623 -9.97795 TIMING: 4127400 CPU: 11951.9, 0.00286315/step Wall: 11951.9, 0.00286315/step, 0.693996 hours remaining, 212.082031 MB of memory in use. ENERGY: 4127400 771.3280 2047.6531 1952.5952 106.4611 -206932.5751 18112.9302 0.0000 0.0000 34167.6217 -149773.9859 298.3943 -183941.6075 -149681.4134 297.7508 -17.8440 13.0792 556939.5847 -12.4309 -12.5485 PRESSURE: 4127600 -223.907 -18.7579 -36.0552 -18.7569 91.0754 7.57842 -36.0555 7.5789 -94.3424 GPRESSURE: 4127600 -210.232 -34.0159 -28.6632 -4.14678 91.3407 9.24266 -45.3228 69.1052 -18.7679 PRESSAVG: 4127600 -23.9549 5.38318 -17.011 5.38308 16.3804 -5.38295 -17.0111 -5.38296 -9.94389 GPRESSAVG: 4127600 -24.4956 5.71499 -15.8591 6.58604 16.2566 -6.81802 -18.7258 -5.16214 -9.45856 TIMING: 4127600 CPU: 11952.5, 0.00286917/step Wall: 11952.5, 0.00286917/step, 0.695296 hours remaining, 212.082031 MB of memory in use. ENERGY: 4127600 741.7181 2049.5237 1920.4079 111.4845 -206513.5269 17713.1142 0.0000 0.0000 34199.8633 -149777.4153 298.6759 -183977.2785 -149675.4656 297.3362 -75.7246 -45.8864 558106.2576 -5.8395 -5.8992 PRESSURE: 4127800 -52.7444 15.1028 -2.4728 15.1029 139.921 -55.648 -2.47399 -55.6497 -114.606 GPRESSURE: 4127800 -16.3958 -1.2968 -72.899 33.3071 187.482 -73.4634 30.4637 -126.954 -106.461 PRESSAVG: 4127800 -2.46231 -79.0769 -55.6626 -79.0769 -7.26713 33.421 -55.6626 33.4211 -7.39643 GPRESSAVG: 4127800 -3.80871 -79.324 -57.7533 -81.1079 -5.22182 34.1932 -53.373 32.53 -8.41632 TIMING: 4127800 CPU: 11953, 0.00286126/step Wall: 11953, 0.00286126/step, 0.693221 hours remaining, 212.082031 MB of memory in use. ENERGY: 4127800 733.9523 2069.0433 1940.5356 97.0950 -206534.2916 17768.0823 0.0000 0.0000 34112.7773 -149812.8057 297.9154 -183925.5830 -149714.6492 297.4316 -9.1431 21.5416 555511.9239 -5.7086 -5.8156 PRESSURE: 4128000 84.2988 -54.1788 35.3702 -54.1802 -118.209 109.484 35.37 109.484 -83.4738 GPRESSURE: 4128000 75.4356 -84.5847 -16.7855 34.319 -30.7744 60.8595 91.0935 158.278 -65.3056 PRESSAVG: 4128000 -3.55578 -10.014 -26.6474 -10.014 29.5561 21.0899 -26.6474 21.09 1.18495 GPRESSAVG: 4128000 -1.44479 -11.0381 -25.1135 -8.53307 28.0076 20.7758 -28.6592 22.2254 0.892195 TIMING: 4128000 CPU: 11953.6, 0.00286454/step Wall: 11953.6, 0.00286454/step, 0.693854 hours remaining, 212.082031 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: 4128000 763.3003 2091.3393 1924.5254 118.2531 -206350.6143 17696.5193 0.0000 0.0000 34143.5348 -149613.1420 298.1840 -183756.6769 -149515.0268 297.5070 -39.1280 -6.8815 555520.7722 9.0618 9.1517 PRESSURE: 4128200 219.839 -70.3992 -169.259 -70.4008 187.505 161.211 -169.259 161.211 154.628 GPRESSURE: 4128200 236.18 -68.6951 -260.008 -37.9591 189.413 189.3 -96.7831 134.809 223.76 PRESSAVG: 4128200 72.4059 42.8534 10.1652 42.8536 -86.2251 -15.5173 10.1653 -15.5174 31.1071 GPRESSAVG: 4128200 69.692 44.531 10.443 42.3107 -85.0281 -14.6154 10.5123 -15.4294 32.1433 TIMING: 4128200 CPU: 11954.2, 0.00286392/step Wall: 11954.2, 0.00286392/step, 0.693547 hours remaining, 212.082031 MB of memory in use. ENERGY: 4128200 757.1189 2141.6399 1945.7055 107.5712 -206715.9198 18171.2910 0.0000 0.0000 34061.3000 -149531.2933 297.4658 -183592.5933 -149441.1849 298.6618 187.3242 216.4510 556100.7184 5.7627 5.6024 LDB: ============= START OF LOAD BALANCING ============== 11957.6 LDB: ============== END OF LOAD BALANCING =============== 11957.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11957.6 LDB: ============= START OF LOAD BALANCING ============== 11957.9 LDB: Largest compute 4773 load 0.023339 is 19.8% of average load 0.118029 LDB: Average compute 0.001732 is 1.5% of average load 0.118029 LDB: TIME 11957.9 LOAD: AVG 0.118029 MAX 0.177482 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.641 MB LDB: TIME 11957.9 LOAD: AVG 0.118029 MAX 0.177482 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: TIME 11957.9 LOAD: AVG 0.118029 MAX 0.177482 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: ============== END OF LOAD BALANCING =============== 11957.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11957.9 PRESSURE: 4128400 -136.749 -134.149 96.6745 -134.149 -256.652 -11.0309 96.6746 -11.0302 -55.233 GPRESSURE: 4128400 -137.99 -187.736 119.557 -152.893 -147.927 25.506 101.583 0.909401 -71.2114 PRESSAVG: 4128400 -32.5169 0.47571 -24.9839 0.475703 28.4406 -6.30796 -24.9838 -6.308 13.2858 GPRESSAVG: 4128400 -30.682 0.0795924 -24.8134 -0.218234 28.1214 -7.08643 -25.0753 -6.70392 11.6312 TIMING: 4128400 CPU: 11954.8, 0.00291403/step Wall: 11954.8, 0.00291403/step, 0.705518 hours remaining, 211.562500 MB of memory in use. ENERGY: 4128400 740.2726 2073.7255 1937.4581 113.9491 -206232.3596 17664.7976 0.0000 0.0000 34238.2600 -149463.8968 299.0112 -183702.1568 -149380.0136 299.0081 -149.5447 -119.0430 556949.5242 3.0699 3.0235 PRESSURE: 4128600 -262.583 -85.1021 75.2119 -85.101 -80.1221 -54.5708 75.213 -54.5716 -21.4352 GPRESSURE: 4128600 -199.552 -132.395 102.053 -57.597 -48.0968 -39.4169 -44.4321 -67.7873 -3.38713 PRESSAVG: 4128600 -48.8563 -60.9681 42.4108 -60.9681 -23.7375 -20.2909 42.4108 -20.2909 18.6069 GPRESSAVG: 4128600 -48.9274 -60.7359 42.3674 -60.4686 -24.2734 -21.1236 41.5407 -19.8625 18.8844 TIMING: 4128600 CPU: 11955.4, 0.0028894/step Wall: 11955.4, 0.0028894/step, 0.699394 hours remaining, 211.765625 MB of memory in use. ENERGY: 4128600 750.3600 2013.5080 1954.2473 100.1890 -206449.8467 17774.9602 0.0000 0.0000 34114.0260 -149742.5562 297.9263 -183856.5822 -149645.8416 298.2154 -121.3802 -83.6785 556603.3048 -17.9956 -18.1055 PRESSURE: 4128800 -192.386 77.3818 -154.91 77.3822 72.1477 63.7894 -154.91 63.791 -124.121 GPRESSURE: 4128800 -154.591 105.808 -124.411 149.935 67.0979 21.8141 -206.408 111.815 -61.4553 PRESSAVG: 4128800 -37.4404 -28.5025 16.435 -28.5024 -38.7225 29.9465 16.4351 29.9466 64.3222 GPRESSAVG: 4128800 -37.7718 -27.1455 18.123 -29.8304 -38.6937 30.3182 17.2746 31.6754 64.268 TIMING: 4128800 CPU: 11955.9, 0.00287373/step Wall: 11955.9, 0.00287373/step, 0.695443 hours remaining, 211.765625 MB of memory in use. ENERGY: 4128800 756.9928 2089.8279 1951.0188 116.7765 -206451.8291 17696.8785 0.0000 0.0000 34177.7478 -149662.5869 298.4828 -183840.3347 -149569.1518 297.7056 -81.4529 -49.6495 555120.3432 -3.9469 -4.0658 PRESSURE: 4129000 -111.012 31.4896 -79.5541 31.4892 238.573 -63.2639 -79.5556 -63.2648 -136.551 GPRESSURE: 4129000 -149.325 80.9495 -36.0456 57.1068 270.953 -65.6356 -59.5755 -85.2304 -37.1054 PRESSAVG: 4129000 -16.0867 41.5575 -63.6894 41.5575 41.7598 -11.9622 -63.6893 -11.9622 21.6197 GPRESSAVG: 4129000 -17.7177 40.212 -66.0239 42.5793 42.325 -12.5641 -61.6701 -12.7028 22.1296 TIMING: 4129000 CPU: 11956.5, 0.00286026/step Wall: 11956.5, 0.00286026/step, 0.692024 hours remaining, 211.765625 MB of memory in use. ENERGY: 4129000 749.7343 2069.2460 1920.1573 106.4133 -206416.8630 17932.7726 0.0000 0.0000 34144.1671 -149494.3724 298.1895 -183638.5396 -149398.6171 297.8191 -2.9964 28.1741 557422.1530 15.7643 15.5790 PRESSURE: 4129200 54.5603 49.1365 140.337 49.1362 -85.5056 -2.24587 140.336 -2.24534 42.7317 GPRESSURE: 4129200 104.738 92.2121 89.6931 76.3963 -89.4541 43.8627 182.707 -2.38891 110.831 PRESSAVG: 4129200 -28.4505 -11.5937 -21.8464 -11.5937 -24.6724 -5.0939 -21.8464 -5.09391 23.0616 GPRESSAVG: 4129200 -25.5016 -9.70141 -20.0792 -12.2252 -25.9751 -2.18301 -22.7022 -6.98639 21.3143 TIMING: 4129200 CPU: 11957.1, 0.00289475/step Wall: 11957.1, 0.00289475/step, 0.700207 hours remaining, 211.765625 MB of memory in use. ENERGY: 4129200 732.3312 2046.4123 1947.5838 115.2919 -206376.8459 17950.0725 0.0000 0.0000 34228.9448 -149356.2094 298.9299 -183585.1543 -149267.8135 298.0975 3.9288 42.0385 557851.9607 -10.0204 -10.0541 PRESSURE: 4129400 -110.682 218.093 -78.3123 218.093 -1.09519 38.5792 -78.3112 38.5803 -199.403 GPRESSURE: 4129400 -103.315 242.894 -164.169 194.863 -7.86554 12.356 -25.2347 79.3602 -118.996 PRESSAVG: 4129400 -10.8703 25.3887 -63.1418 25.3887 26.1805 36.24 -63.1418 36.2401 10.6191 GPRESSAVG: 4129400 -12.8491 23.6265 -64.9682 26.897 26.8083 34.3658 -62.9614 36.2123 12.3339 TIMING: 4129400 CPU: 11957.7, 0.00286934/step Wall: 11957.7, 0.00286934/step, 0.693903 hours remaining, 211.765625 MB of memory in use. ENERGY: 4129400 727.0764 2057.6978 1939.1395 125.7244 -205970.1660 17588.7724 0.0000 0.0000 34372.1950 -149159.5604 300.1809 -183531.7554 -149065.3111 298.9581 -103.7270 -76.7255 558180.4594 8.6431 8.7643 PRESSURE: 4129600 7.50158 -91.7007 91.2169 -91.7002 11.6006 -213.017 91.2152 -213.018 50.9204 GPRESSURE: 4129600 -34.2976 -65.2743 51.8859 -117.752 94.496 -261.643 32.6355 -220.461 108.052 PRESSAVG: 4129600 48.6793 -34.0753 -15.1264 -34.0754 -20.6205 -15.0605 -15.1264 -15.0605 -15.0416 GPRESSAVG: 4129600 47.6708 -34.5765 -14.3134 -33.8728 -21.1595 -16.349 -14.8958 -15.1167 -13.4113 TIMING: 4129600 CPU: 11958.2, 0.00288151/step Wall: 11958.2, 0.00288151/step, 0.696686 hours remaining, 211.765625 MB of memory in use. ENERGY: 4129600 729.0219 2071.7201 1933.1586 112.5419 -205972.5319 17931.3039 0.0000 0.0000 33971.5698 -149223.2159 296.6822 -183194.7856 -149133.1389 299.0462 23.3409 56.0834 556890.0973 4.3391 4.3667 PRESSURE: 4129800 -51.7512 92.8334 -7.82419 92.8332 -8.59115 -153.477 -7.82179 -153.476 -138.005 GPRESSURE: 4129800 42.3816 117.817 -28.2741 74.8746 -5.32318 -123.22 23.3279 -203.476 -137.866 PRESSAVG: 4129800 -30.7463 1.62063 0.0467747 1.62055 -45.5114 -134.169 0.0467721 -134.169 3.21202 GPRESSAVG: 4129800 -29.7773 1.14571 0.629228 0.284492 -46.1867 -134.055 -2.39747 -134.753 3.10185 TIMING: 4129800 CPU: 11958.8, 0.00289759/step Wall: 11958.8, 0.00289759/step, 0.700412 hours remaining, 211.765625 MB of memory in use. ENERGY: 4129800 755.8171 2036.3010 1936.8981 116.2672 -206364.5150 17799.3635 0.0000 0.0000 34507.7466 -149212.1215 301.3647 -183719.8681 -149111.0215 299.4853 -66.1158 -33.6026 558092.0994 -24.3486 -24.2874 PRESSURE: 4130000 -86.1191 -174.959 172.466 -174.959 80.2593 -134.271 172.467 -134.27 277.791 GPRESSURE: 4130000 34.0554 -181.965 131.44 -117.704 40.6988 -94.8383 129.442 -185.468 300.242 PRESSAVG: 4130000 35.4347 -41.4538 5.78408 -41.4537 -15.093 -99.8452 5.78403 -99.8451 -14.2016 GPRESSAVG: 4130000 35.1847 -40.5421 4.62565 -40.4848 -14.3306 -100.022 7.28194 -98.0148 -15.1107 TIMING: 4130000 CPU: 11959.4, 0.00290412/step Wall: 11959.4, 0.00290412/step, 0.70183 hours remaining, 211.765625 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: 4130000 705.7747 2069.5189 1948.6523 111.2366 -206189.9207 17808.6074 0.0000 0.0000 34291.3873 -149254.7434 299.4752 -183546.1307 -149163.0015 299.5184 90.6438 124.9989 556762.2294 2.0467 1.9145 PRESSURE: 4130200 77.0961 -19.0483 233.596 -19.0479 -227.675 -6.66349 233.596 -6.66494 -70.4065 GPRESSURE: 4130200 60.1831 5.36511 331.991 -128.921 -166.465 -88.0642 160.916 7.56743 -22.3781 PRESSAVG: 4130200 -2.2756 -25.0895 31.4737 -25.0896 -26.7962 -42.3795 31.4737 -42.3795 0.737081 GPRESSAVG: 4130200 -0.859903 -24.3743 31.7447 -24.9568 -27.5188 -43.3773 31.3986 -42.8528 0.184426 TIMING: 4130200 CPU: 11960, 0.00288907/step Wall: 11960, 0.00288907/step, 0.698031 hours remaining, 211.765625 MB of memory in use. ENERGY: 4130200 735.8351 2118.1871 1961.1617 109.1335 -205577.7534 17431.3134 0.0000 0.0000 34120.3910 -149101.7315 297.9819 -183222.1225 -149006.1641 299.4655 -73.6619 -42.8866 557301.6843 -9.4449 -9.3981 PRESSURE: 4130400 -26.4934 119.307 6.49301 119.306 203.906 42.9157 6.49318 42.9149 72.7556 GPRESSURE: 4130400 29.6357 148.884 40.0537 94.7084 199.545 -25.5712 17.0076 46.5176 110.511 PRESSAVG: 4130400 -48.4706 7.87663 -3.10932 7.87663 27.443 -18.3613 -3.10941 -18.3614 16.3632 GPRESSAVG: 4130400 -48.5698 8.09352 -1.44137 7.70546 27.7272 -16.9399 -2.02783 -18.6148 16.3996 TIMING: 4130400 CPU: 11960.5, 0.00289491/step Wall: 11960.5, 0.00289491/step, 0.699281 hours remaining, 211.765625 MB of memory in use. ENERGY: 4130400 727.5092 2055.1176 1952.4388 112.6096 -206167.1338 17777.2440 0.0000 0.0000 34352.4014 -149189.8131 300.0081 -183542.2146 -149094.0987 298.7688 83.3896 113.2308 555908.7725 -1.5548 -1.4810 PRESSURE: 4130600 111.558 -163.435 -176.815 -163.435 -134.345 145.248 -176.815 145.248 60.4249 GPRESSURE: 4130600 130.047 -224.424 -150.618 -149.805 -55.4754 181.544 -146.756 103.774 60.0018 PRESSAVG: 4130600 -33.2983 -24.9531 -23.4334 -24.9531 64.4146 -98.1778 -23.4335 -98.1778 7.28062 GPRESSAVG: 4130600 -32.9859 -25.5345 -22.232 -26.2952 64.9237 -97.1444 -25.5768 -99.5763 6.99718 TIMING: 4130600 CPU: 11961.1, 0.00289114/step Wall: 11961.1, 0.00289114/step, 0.69821 hours remaining, 211.765625 MB of memory in use. ENERGY: 4130600 751.9162 2027.6214 1950.4092 119.7556 -206518.0191 17988.7666 0.0000 0.0000 34300.8575 -149378.6926 299.5579 -183679.5501 -149279.7324 299.4308 12.5462 44.8579 557470.9621 12.7990 12.9783 PRESSURE: 4130800 162.827 -89.0093 111.578 -89.01 154.101 -9.71133 111.577 -9.71148 78.4096 GPRESSURE: 4130800 213.933 -19.5738 153.667 -68.836 133.053 -70.0629 148.808 34.3261 148.755 PRESSAVG: 4130800 19.5631 -10.1656 -50.4946 -10.1656 9.99354 -48.7918 -50.4947 -48.7918 -58.5979 GPRESSAVG: 4130800 19.5746 -9.24198 -51.9025 -10.4289 11.3003 -48.4577 -49.5894 -46.3811 -59.7977 TIMING: 4130800 CPU: 11961.7, 0.00286887/step Wall: 11961.7, 0.00286887/step, 0.692672 hours remaining, 211.765625 MB of memory in use. ENERGY: 4130800 730.3247 2062.1474 1962.5303 125.3453 -206778.5677 18078.5532 0.0000 0.0000 34258.3055 -149561.3613 299.1863 -183819.6668 -149465.8835 298.0584 131.7793 165.2471 555502.1909 -9.6804 -9.6409 PRESSURE: 4131000 102.796 -109.63 -93.4029 -109.63 -212.272 -1.78928 -93.4042 -1.79022 13.3395 GPRESSURE: 4131000 138.257 -75.8022 -65.9894 -137.417 -182.88 44.6427 -79.1365 0.28969 57.3862 PRESSAVG: 4131000 83.6597 -43.3712 -9.13054 -43.3712 -47.8796 -57.692 -9.13046 -57.692 -15.3404 GPRESSAVG: 4131000 84.5503 -44.4842 -7.99645 -41.9418 -49.3903 -58.8553 -11.2988 -59.8651 -14.0667 TIMING: 4131000 CPU: 11962.3, 0.00286566/step Wall: 11962.3, 0.00286566/step, 0.691738 hours remaining, 211.765625 MB of memory in use. ENERGY: 4131000 687.2182 2045.0359 1945.5484 111.1400 -206429.1101 17756.5638 0.0000 0.0000 34258.0761 -149625.5278 299.1843 -183883.6039 -149520.8994 298.8343 -32.0453 4.2545 556852.2434 6.8132 7.0311 PRESSURE: 4131200 359.338 52.4362 -0.932652 52.4369 -114.474 77.2971 -0.932978 77.2962 -137.471 GPRESSURE: 4131200 390.478 33.2918 99.1698 25.5944 -60.7282 64.3636 -26.93 -43.79 -112.399 PRESSAVG: 4131200 -37.264 22.5908 -55.8025 22.5908 24.4441 -39.229 -55.8025 -39.229 -10.9673 GPRESSAVG: 4131200 -38.7106 22.3274 -55.2127 21.952 24.6385 -39.6451 -55.3569 -39.0963 -9.41078 TIMING: 4131200 CPU: 11962.8, 0.00289422/step Wall: 11962.8, 0.00289422/step, 0.698472 hours remaining, 211.765625 MB of memory in use. ENERGY: 4131200 716.7933 2047.2356 1934.0449 116.5181 -206839.8714 18056.8283 0.0000 0.0000 34164.5981 -149803.8532 298.3679 -183968.4513 -149707.1547 298.1226 35.7976 72.4500 555726.1166 -7.9291 -7.8276 PRESSURE: 4131400 22.1539 76.9149 2.17495 76.9159 -209.44 4.2796 2.17443 4.28143 -34.9618 GPRESSURE: 4131400 97.6265 37.7344 26.3612 -15.6852 -208.28 -13.2746 -9.7708 -24.8752 -8.02189 PRESSAVG: 4131400 16.0992 12.222 -13.6741 12.2219 29.1116 -16.2577 -13.6741 -16.2576 -30.5947 GPRESSAVG: 4131400 16.8064 12.7925 -13.804 12.7237 29.2019 -15.4925 -14.4967 -17.2056 -30.9643 TIMING: 4131400 CPU: 11963.4, 0.00289358/step Wall: 11963.4, 0.00289358/step, 0.698156 hours remaining, 211.765625 MB of memory in use. ENERGY: 4131400 737.8036 2038.7107 1927.9925 130.7226 -206537.9527 17769.5037 0.0000 0.0000 34318.8314 -149614.3882 299.7149 -183933.2196 -149518.9116 297.7491 -74.0828 -39.5584 556428.2511 4.8720 5.0147 PRESSURE: 4131600 13.0326 -39.5568 52.3823 -39.5562 -62.2863 0.67574 52.3813 0.675266 57.2773 GPRESSURE: 4131600 73.016 4.52424 110.204 -44.6398 -26.3347 68.0629 8.27699 -43.9748 60.3974 PRESSAVG: 4131600 -22.568 -0.82926 -18.6482 -0.829246 44.6082 2.79081 -18.6482 2.79082 -50.2679 GPRESSAVG: 4131600 -22.7238 -0.735956 -17.4033 -2.18761 44.9182 2.24454 -18.1227 3.77679 -50.0709 TIMING: 4131600 CPU: 11964, 0.00288768/step Wall: 11964, 0.00288768/step, 0.696571 hours remaining, 211.765625 MB of memory in use. ENERGY: 4131600 753.9771 2049.0646 1966.1644 118.1721 -206326.6150 17769.7166 0.0000 0.0000 34243.7504 -149425.7698 299.0592 -183669.5202 -149324.3954 298.4568 2.6745 35.6929 556657.7860 -9.4092 -9.2922 PRESSURE: 4131800 -373.169 25.6772 59.3171 25.6759 -231.876 69.913 59.3166 69.9127 -244.853 GPRESSURE: 4131800 -278.011 120.876 8.00053 -78.228 -224.836 35.5908 17.1998 62.4026 -237.852 PRESSAVG: 4131800 41.005 -17.0354 -30.2198 -17.0354 -66.3857 2.87178 -30.2199 2.87184 -16.8895 GPRESSAVG: 4131800 42.7425 -17.3485 -31.5772 -15.7892 -67.4432 3.70427 -31.1855 1.56939 -18.0687 TIMING: 4131800 CPU: 11964.6, 0.00290871/step Wall: 11964.6, 0.00290871/step, 0.701483 hours remaining, 211.765625 MB of memory in use. ENERGY: 4131800 783.1709 2090.5561 1923.3421 110.9179 -205802.2527 17418.3112 0.0000 0.0000 34101.0765 -149374.8779 297.8132 -183475.9544 -149277.6569 298.6343 -283.2995 -246.8994 557500.6528 -14.0901 -14.2564 PRESSURE: 4132000 -25.3778 -190.677 -38.0762 -190.677 -189.193 -86.8699 -38.076 -86.8694 99.3158 GPRESSURE: 4132000 42.8593 -92.9562 -133.043 -199.006 -207.233 -93.1274 -17.8071 5.88166 162.621 PRESSAVG: 4132000 16.9381 28.2242 -51.0386 28.2243 18.5195 3.73767 -51.0386 3.73755 -14.8827 GPRESSAVG: 4132000 14.7422 28.8011 -54.3798 28.1328 20.4412 4.39552 -47.3702 3.91496 -14.2942 TIMING: 4132000 CPU: 11965.2, 0.0028824/step Wall: 11965.2, 0.0028824/step, 0.694978 hours remaining, 211.765625 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: 4132000 746.6125 2054.9135 1948.3269 113.2198 -206189.0536 17675.1183 0.0000 0.0000 34243.0188 -149407.8438 299.0528 -183650.8626 -149312.3169 298.9101 -38.4185 -0.5842 556501.0409 6.8583 6.9631 PRESSURE: 4132200 -38.1289 -170.034 80.6111 -170.035 -142.021 3.22694 80.6113 3.22833 -26.4842 GPRESSURE: 4132200 -25.751 -164.237 118.734 -195.554 -93.9718 71.8676 102.212 -46.2227 4.94706 PRESSAVG: 4132200 -28.988 13.842 -27.3781 13.8419 -27.2397 4.94984 -27.3781 4.94993 41.2777 GPRESSAVG: 4132200 -28.4925 12.5947 -23.3746 13.0862 -27.4952 4.10149 -32.4816 4.71549 41.0812 TIMING: 4132200 CPU: 11965.7, 0.00290464/step Wall: 11965.7, 0.00290464/step, 0.70018 hours remaining, 211.765625 MB of memory in use. ENERGY: 4132200 764.6877 2148.9825 1981.4337 119.9603 -206143.5161 17816.2451 0.0000 0.0000 34059.7625 -149252.4443 297.4524 -183312.2068 -149156.1623 297.8935 -68.8780 -38.2586 558496.5266 -4.9834 -4.9688 LDB: ============= START OF LOAD BALANCING ============== 11969.1 LDB: ============== END OF LOAD BALANCING =============== 11969.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11969.1 LDB: ============= START OF LOAD BALANCING ============== 11969.4 LDB: Largest compute 4773 load 0.023921 is 20.3% of average load 0.118023 LDB: Average compute 0.001728 is 1.5% of average load 0.118023 LDB: TIME 11969.4 LOAD: AVG 0.118023 MAX 0.179489 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.754 MB LDB: TIME 11969.4 LOAD: AVG 0.118023 MAX 0.179489 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.754 MB LDB: TIME 11969.4 LOAD: AVG 0.118023 MAX 0.179489 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11969.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11969.4 PRESSURE: 4132400 -74.8161 -18.0164 -55.8279 -18.0152 -264.373 -115.678 -55.8274 -115.677 165.394 GPRESSURE: 4132400 -36.9902 -22.7503 -167.471 114.544 -189.182 -84.0153 45.1112 -139.047 140.896 PRESSAVG: 4132400 61.1287 -13.2929 -3.84148 -13.2928 -64.5636 -39.6352 -3.84156 -39.6353 4.76098 GPRESSAVG: 4132400 61.1141 -13.465 -4.45109 -11.593 -64.871 -38.829 -1.73343 -41.1213 5.33749 TIMING: 4132400 CPU: 11966.3, 0.00294651/step Wall: 11966.3, 0.00294651/step, 0.71011 hours remaining, 212.265625 MB of memory in use. ENERGY: 4132400 713.1006 2092.3694 1935.0367 112.1609 -206291.8801 17881.6732 0.0000 0.0000 34171.3654 -149386.1739 298.4270 -183557.5393 -149282.2851 298.1003 -57.9316 -28.4253 558574.0469 0.4420 0.5269 PRESSURE: 4132600 -68.0566 83.189 199.785 83.1883 27.2285 -9.26319 199.786 -9.26054 108.403 GPRESSURE: 4132600 -49.3615 102.859 89.3058 4.91677 68.4084 -28.2311 269.131 -9.5507 158.518 PRESSAVG: 4132600 -17.6391 -20.2358 13.3486 -20.236 -45.353 -78.3351 13.3486 -78.3349 6.98353 GPRESSAVG: 4132600 -17.5736 -21.2488 13.5009 -20.8898 -45.3629 -81.1553 14.0379 -76.0052 7.29055 TIMING: 4132600 CPU: 11966.9, 0.00287706/step Wall: 11966.9, 0.00287706/step, 0.693212 hours remaining, 212.335938 MB of memory in use. ENERGY: 4132600 733.7403 2023.8068 1939.2979 119.7458 -206358.7711 18000.7660 0.0000 0.0000 34227.4703 -149313.9440 298.9170 -183541.4143 -149206.4464 298.7801 22.5250 59.1882 558156.4675 -18.6695 -18.5486 PRESSURE: 4132800 179.225 119.965 18.4287 119.966 -200.837 -57.5638 18.4274 -57.5642 -9.51593 GPRESSURE: 4132800 232.463 -23.5594 14.4038 215.129 -118.052 -133.436 -36.1411 -33.541 -42.2783 PRESSAVG: 4132800 63.7984 60.4738 76.2124 60.4738 -23.8975 -2.37557 76.2124 -2.3756 -5.2798 GPRESSAVG: 4132800 64.5153 61.3825 76.2643 60.2309 -24.4872 -0.248172 75.6298 -3.48531 -5.32204 TIMING: 4132800 CPU: 11967.5, 0.00289918/step Wall: 11967.5, 0.00289918/step, 0.698381 hours remaining, 212.335938 MB of memory in use. ENERGY: 4132800 739.1648 2114.7404 1967.0537 129.0202 -206142.3407 17808.3942 0.0000 0.0000 34136.1424 -149247.8251 298.1194 -183383.9674 -149153.3678 298.7341 -10.3761 24.0441 557561.4081 11.5404 11.5687 PRESSURE: 4133000 -3.85418 117.369 44.9631 117.369 45.5759 -125.075 44.9613 -125.075 133.36 GPRESSURE: 4133000 -4.43417 180.809 9.83269 43.4244 57.1646 -188.555 107.105 -98.976 214.279 PRESSAVG: 4133000 41.6766 52.4862 -17.1071 52.4862 -67.0096 43.2822 -17.1071 43.2822 -2.7235 GPRESSAVG: 4133000 40.2951 52.549 -18.4049 51.5498 -65.9397 41.4753 -18.0042 44.6705 -1.84726 TIMING: 4133000 CPU: 11968.1, 0.00290172/step Wall: 11968.1, 0.00290172/step, 0.698832 hours remaining, 212.335938 MB of memory in use. ENERGY: 4133000 717.5947 2052.5042 1980.0598 116.6751 -206553.7633 18157.7612 0.0000 0.0000 34408.7570 -149120.4113 300.5002 -183529.1683 -149025.1009 298.2684 58.3605 89.0033 558278.3983 -9.3521 -9.1639 PRESSURE: 4133200 222.966 -45.7365 88.2454 -45.737 -207.904 -46.4834 88.247 -46.4853 176.384 GPRESSURE: 4133200 274.33 -37.1582 167.7 -72.1052 -166.994 -96.7939 13.2125 45.7473 171.593 PRESSAVG: 4133200 0.620046 36.7567 -41.3238 36.7567 32.0846 7.59748 -41.3238 7.59742 24.3435 GPRESSAVG: 4133200 1.70406 38.522 -40.6784 36.7348 31.9745 8.33188 -40.4332 8.13857 24.0037 TIMING: 4133200 CPU: 11968.6, 0.00287204/step Wall: 11968.6, 0.00287204/step, 0.691524 hours remaining, 212.335938 MB of memory in use. ENERGY: 4133200 762.4469 2102.5737 1975.0439 122.3147 -206020.6003 17866.9095 0.0000 0.0000 34246.9103 -148944.4012 299.0868 -183191.3116 -148847.1773 299.6230 63.8150 92.9766 556600.6493 19.0160 19.2274 PRESSURE: 4133400 -57.2362 30.9506 33.8441 30.9518 -206.949 59.5557 33.8439 59.5556 -82.2763 GPRESSURE: 4133400 -34.496 -1.15246 38.4143 164.917 -127.833 89.8472 59.2432 45.6003 -88.921 PRESSAVG: 4133400 -13.2307 30.2221 6.86099 30.2221 -40.2212 -9.5778 6.86095 -9.5779 -22.3404 GPRESSAVG: 4133400 -14.2619 26.3816 7.28935 29.9954 -39.3186 -9.16331 6.51661 -11.5517 -22.8619 TIMING: 4133400 CPU: 11969.2, 0.00288878/step Wall: 11969.2, 0.00288878/step, 0.695394 hours remaining, 212.335938 MB of memory in use. ENERGY: 4133400 757.7942 2129.7521 1993.8501 116.1859 -205816.7692 17615.3877 0.0000 0.0000 34292.3821 -148911.4170 299.4839 -183203.7991 -148813.5012 300.4359 -115.4871 -83.7498 557926.1174 -25.2641 -25.4808 PRESSURE: 4133600 -70.9378 -30.3387 -57.6804 -30.3395 56.6404 51.7091 -57.6801 51.7095 36.8987 GPRESSURE: 4133600 -33.4615 -16.3091 -49.3188 -14.6804 69.988 59.938 -45.3385 54.0117 88.9255 PRESSAVG: 4133600 58.1753 -65.1044 -25.4566 -65.1044 -35.7578 28.1564 -25.4567 28.1565 -1.27357 GPRESSAVG: 4133600 58.5144 -65.2751 -25.352 -62.6906 -36.2015 29.4247 -27.5974 27.4289 -0.998701 TIMING: 4133600 CPU: 11969.8, 0.00289543/step Wall: 11969.8, 0.00289543/step, 0.696834 hours remaining, 212.335938 MB of memory in use. ENERGY: 4133600 763.5961 2114.2198 1995.9164 104.8279 -206182.9060 17812.0135 0.0000 0.0000 34510.6122 -148881.7202 301.3898 -183392.3324 -148788.8693 300.1889 7.5338 41.8173 556007.5683 7.0480 7.1047 PRESSURE: 4133800 88.0168 -8.45292 -17.8357 -8.45157 -94.811 71.0041 -17.836 71.0044 -25.7171 GPRESSURE: 4133800 81.4192 -24.9935 -68.7189 -61.0219 -45.3379 -0.860633 -12.9754 44.1404 48.3639 PRESSAVG: 4133800 25.4555 -29.5384 -32.2858 -29.5384 17.6941 -1.78632 -32.2858 -1.78631 -2.1325 GPRESSAVG: 4133800 26.2305 -28.144 -34.3321 -30.3579 16.9574 -2.57246 -27.6686 -2.46935 -2.00529 TIMING: 4133800 CPU: 11970.4, 0.00288682/step Wall: 11970.4, 0.00288682/step, 0.6946 hours remaining, 212.335938 MB of memory in use. ENERGY: 4133800 778.9506 2113.8576 1944.8202 105.3305 -206192.2569 17855.1569 0.0000 0.0000 34513.0864 -148881.0548 301.4114 -183394.1412 -148783.2268 300.2984 -10.8371 28.1484 557439.9431 13.6724 13.7275 PRESSURE: 4134000 -400.157 69.595 210.582 69.5954 -325.731 41.3019 210.583 41.3013 44.346 GPRESSURE: 4134000 -326.882 9.38775 226.809 142.135 -294.221 38.2222 195.294 -6.18081 38.1442 PRESSAVG: 4134000 -24.4249 -22.1396 -40.2963 -22.1397 13.4238 -21.0938 -40.2963 -21.0938 19.4212 GPRESSAVG: 4134000 -25.7463 -22.8802 -37.7742 -21.8519 13.3569 -21.945 -40.9809 -19.3247 20.2587 TIMING: 4134000 CPU: 11971, 0.00289286/step Wall: 11971, 0.00289286/step, 0.695893 hours remaining, 212.335938 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: 4134000 725.7666 2129.8150 1947.1131 128.7565 -205481.6943 17340.0282 0.0000 0.0000 34447.7896 -148762.4253 300.8411 -183210.2149 -148668.2985 300.2197 -227.1805 -194.3196 558113.5610 2.8067 2.6231 PRESSURE: 4134200 176.081 113.057 -110.265 113.057 -165.797 5.5387 -110.265 5.53871 -25.4426 GPRESSURE: 4134200 236.275 134.26 -159.771 98.8675 -111.252 -5.41972 -93.307 3.95341 -30.5031 PRESSAVG: 4134200 14.8949 18.2989 -28.3565 18.2989 -29.9119 22.1851 -28.3566 22.1851 2.97473 GPRESSAVG: 4134200 15.7664 19.7822 -30.3528 14.9583 -29.5728 21.9307 -27.762 22.1179 2.12396 TIMING: 4134200 CPU: 11971.5, 0.00289326/step Wall: 11971.5, 0.00289326/step, 0.695829 hours remaining, 212.539062 MB of memory in use. ENERGY: 4134200 784.3876 2144.4905 1930.9522 109.4989 -206045.1998 17913.7266 0.0000 0.0000 34465.0583 -148697.0857 300.9919 -183162.1439 -148605.1184 300.7539 -5.0527 31.5066 557329.7659 -4.0141 -3.8942 PRESSURE: 4134400 65.6128 47.9404 135.065 47.9409 45.1326 -119.081 135.064 -119.082 196.342 GPRESSURE: 4134400 154.046 10.3811 95.0933 73.9782 18.1014 -143.308 143.962 -154.712 231.372 PRESSAVG: 4134400 53.7099 -41.5977 35.4573 -41.5977 -41.5067 -2.19001 35.4574 -2.19001 -20.552 GPRESSAVG: 4134400 54.3295 -44.7126 36.4362 -39.6551 -40.8637 -3.3353 33.8153 -1.7521 -21.0236 TIMING: 4134400 CPU: 11972.1, 0.00288607/step Wall: 11972.1, 0.00288607/step, 0.693939 hours remaining, 212.539062 MB of memory in use. ENERGY: 4134400 747.3407 2151.2369 1942.1932 109.0615 -206222.1067 18051.9050 0.0000 0.0000 34406.1517 -148814.2177 300.4775 -183220.3694 -148716.1724 301.2123 102.3623 134.5067 557829.7482 -2.7829 -2.5193 PRESSURE: 4134600 98.5694 40.9683 5.54124 40.969 -21.2282 162.367 5.54037 162.367 374.034 GPRESSURE: 4134600 131.697 119.068 -48.9994 25.5211 55.8113 84.9527 59.2137 34.7566 348.366 PRESSAVG: 4134600 -16.7383 2.80486 15.6781 2.80478 -49.904 -8.75742 15.6781 -8.75749 75.3449 GPRESSAVG: 4134600 -16.122 2.96457 14.82 2.35585 -51.4646 -7.81603 15.261 -10.758 75.734 TIMING: 4134600 CPU: 11972.7, 0.00288105/step Wall: 11972.7, 0.00288105/step, 0.692572 hours remaining, 212.539062 MB of memory in use. ENERGY: 4134600 756.7024 2043.4379 1974.2615 103.3784 -206232.7744 18006.9924 0.0000 0.0000 34471.6443 -148876.3576 301.0494 -183348.0019 -148773.3807 300.6718 150.4583 178.6250 556134.2928 2.9009 2.7158 PRESSURE: 4134800 23.5022 -92.8577 162.224 -92.8561 -188.38 -114.427 162.226 -114.428 103.565 GPRESSURE: 4134800 71.8501 -60.4876 163.776 -59.1286 -160.377 -89.3639 229.588 -84.1861 126.892 PRESSAVG: 4134800 -62.4527 -1.77912 -14.6078 -1.77907 -17.7446 -23.9323 -14.6079 -23.9322 61.6624 GPRESSAVG: 4134800 -63.6288 -3.10858 -13.733 1.64983 -16.532 -24.2378 -15.7566 -23.8112 62.0053 TIMING: 4134800 CPU: 11973.3, 0.00289057/step Wall: 11973.3, 0.00289057/step, 0.694701 hours remaining, 212.539062 MB of memory in use. ENERGY: 4134800 737.3543 2097.1624 1933.5070 104.4862 -205838.6313 17769.3272 0.0000 0.0000 34538.7745 -148658.0197 301.6357 -183196.7942 -148556.8938 300.5271 -20.4377 12.7882 558409.3037 -6.1783 -6.0518 PRESSURE: 4135000 137.869 48.2718 27.7173 48.2706 267.33 -139.66 27.7165 -139.66 93.3822 GPRESSURE: 4135000 185.401 58.0102 -32.2748 25.4311 267.732 -101.762 23.6882 -223.323 156.765 PRESSAVG: 4135000 29.1242 -23.9983 44.9022 -23.9982 11.1835 -2.54376 44.9023 -2.54381 -31.7565 GPRESSAVG: 4135000 31.1908 -21.6087 45.4786 -28.2936 8.72381 -2.56728 47.4427 -2.09108 -31.306 TIMING: 4135000 CPU: 11973.8, 0.0028812/step Wall: 11973.8, 0.0028812/step, 0.69229 hours remaining, 212.539062 MB of memory in use. ENERGY: 4135000 751.8241 2079.3006 1956.7764 103.8929 -205804.6716 17870.3575 0.0000 0.0000 34477.6170 -148564.9031 301.1016 -183042.5200 -148466.1537 300.1934 166.1937 203.2993 557589.5628 2.8504 2.8695 PRESSURE: 4135200 55.8313 167.079 219.943 167.08 -23.5331 -87.3877 219.943 -87.3866 -58.2989 GPRESSURE: 4135200 100.255 184.328 151.501 210.751 24.844 -75.8531 233.692 -81.0791 -54.6792 PRESSAVG: 4135200 7.12451 73.0959 13.4168 73.0959 87.4064 3.9364 13.4169 3.93652 -18.6213 GPRESSAVG: 4135200 5.31673 71.539 14.1019 75.0455 90.4726 2.87834 12.2086 2.85992 -19.6528 TIMING: 4135200 CPU: 11974.4, 0.00288022/step Wall: 11974.4, 0.00288023/step, 0.691894 hours remaining, 212.539062 MB of memory in use. ENERGY: 4135200 748.7438 2077.5403 1964.1002 118.0185 -205666.1926 17702.6964 0.0000 0.0000 34332.0823 -148723.0110 299.8306 -183055.0934 -148617.9584 301.0538 -8.6669 23.4734 558480.0015 25.3032 25.3789 PRESSURE: 4135400 -139.08 61.2673 -121.024 61.2662 4.74322 167.42 -121.025 167.419 69.7982 GPRESSURE: 4135400 -79.8079 -7.84477 -207.063 46.2081 2.61325 119.488 -42.9448 135.496 108.361 PRESSAVG: 4135400 -29.3751 19.7879 77.2862 19.7879 39.4709 -32.5194 77.2862 -32.5194 -14.321 GPRESSAVG: 4135400 -28.7579 20.9998 72.8368 19.2036 37.46 -30.5573 78.6458 -31.3038 -12.6415 TIMING: 4135400 CPU: 11975, 0.00287581/step Wall: 11975, 0.00287581/step, 0.690674 hours remaining, 212.539062 MB of memory in use. ENERGY: 4135400 750.6993 2087.2804 1966.7018 126.4333 -205599.0820 17666.2912 0.0000 0.0000 34165.0546 -148836.6214 298.3719 -183001.6760 -148739.3173 300.0787 -21.5127 10.3888 560536.1593 -1.4084 -1.3131 PRESSURE: 4135600 -136.245 50.6717 -159.121 50.6717 -40.7649 -84.6053 -159.121 -84.6048 -49.442 GPRESSURE: 4135600 -122.238 -20.6507 -148.322 34.2262 -17.3828 -81.3816 -140.521 -64.84 18.4219 PRESSAVG: 4135600 9.09293 22.8238 1.84845 22.8238 9.56171 26.4109 1.84851 26.4109 13.866 GPRESSAVG: 4135600 9.86076 21.9439 5.82485 23.4798 9.76927 25.0982 1.15018 27.724 13.1904 TIMING: 4135600 CPU: 11975.6, 0.00288671/step Wall: 11975.6, 0.00288671/step, 0.693131 hours remaining, 212.539062 MB of memory in use. ENERGY: 4135600 747.4740 2093.9400 1935.2459 127.7698 -205811.1192 17806.6040 0.0000 0.0000 34218.5118 -148881.5736 298.8388 -183100.0854 -148792.1615 299.6836 -75.4839 -40.3996 559732.1414 10.8402 10.9401 PRESSURE: 4135800 41.1831 -108.485 76.2213 -108.485 86.7883 -54.5225 76.2224 -54.5238 -13.4937 GPRESSURE: 4135800 94.6452 -81.6895 42.8661 -150.35 150.684 -102.082 35.5878 -12.4541 -30.3479 PRESSAVG: 4135800 -60.8001 -13.4386 14.1607 -13.4386 54.8371 39.8174 14.1606 39.8174 7.23527 GPRESSAVG: 4135800 -61.9637 -12.6737 13.6622 -14.5916 56.3741 39.556 14.893 39.6718 7.35316 TIMING: 4135800 CPU: 11976.1, 0.00288045/step Wall: 11976.1, 0.00288045/step, 0.691468 hours remaining, 212.539062 MB of memory in use. ENERGY: 4135800 703.2290 2059.9908 1931.4127 109.6113 -205730.8736 17756.9842 0.0000 0.0000 34279.6267 -148890.0189 299.3725 -183169.6455 -148788.7961 299.2183 38.1592 71.6603 559559.6164 0.4241 0.5878 PRESSURE: 4136000 -224.81 -3.66916 83.2979 -3.6681 187.622 -85.5416 83.2986 -85.5425 -140.86 GPRESSURE: 4136000 -133.752 -4.6977 142.096 45.2966 183.785 -98.265 55.895 -117.963 -129.708 PRESSAVG: 4136000 20.7124 -20.2832 2.44262 -20.2833 -13.1277 -22.1963 2.44256 -22.1963 -3.90155 GPRESSAVG: 4136000 20.5643 -20.8081 1.47542 -21.8188 -14.1196 -21.6013 1.22611 -21.7978 -2.93604 TIMING: 4136000 CPU: 11976.7, 0.00290587/step Wall: 11976.7, 0.00290587/step, 0.697409 hours remaining, 212.539062 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: 4136000 715.7099 2066.2693 1937.1398 120.8639 -205843.0496 17693.6566 0.0000 0.0000 34401.4185 -148907.9916 300.4361 -183309.4100 -148810.5965 299.4184 -59.3492 -26.5586 560402.2427 1.2277 1.1696 PRESSURE: 4136200 269.181 77.5761 -30.1908 77.5773 62.341 -50.1721 -30.1923 -50.1735 -31.0876 GPRESSURE: 4136200 269.357 51.2622 -32.8388 99.2069 126.323 -19.6229 3.66444 -25.3971 7.34889 PRESSAVG: 4136200 -23.3764 16.751 -14.3755 16.751 32.7109 -50.8143 -14.3756 -50.8145 -17.7672 GPRESSAVG: 4136200 -24.1418 15.7884 -13.0727 19.9122 32.8257 -48.3669 -14.3498 -54.4675 -17.5994 TIMING: 4136200 CPU: 11977.3, 0.00289379/step Wall: 11977.3, 0.00289379/step, 0.694348 hours remaining, 212.539062 MB of memory in use. ENERGY: 4136200 697.7836 2108.9830 1968.8545 116.4895 -205835.4112 17853.3735 0.0000 0.0000 34321.6696 -148768.2575 299.7397 -183089.9271 -148667.5630 299.6907 100.1449 134.3432 559666.9155 -2.8109 -2.9719 LDB: ============= START OF LOAD BALANCING ============== 11980.7 LDB: ============== END OF LOAD BALANCING =============== 11980.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11980.7 LDB: ============= START OF LOAD BALANCING ============== 11981 LDB: Largest compute 4773 load 0.023406 is 19.8% of average load 0.118044 LDB: Average compute 0.001732 is 1.5% of average load 0.118044 LDB: TIME 11981 LOAD: AVG 0.118044 MAX 0.179486 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.242 MB LDB: TIME 11981 LOAD: AVG 0.118044 MAX 0.179486 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.445 MB LDB: TIME 11981 LOAD: AVG 0.118044 MAX 0.179486 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11981 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11981 PRESSURE: 4136400 75.567 -54.3206 -15.7375 -54.3188 -142.442 5.70798 -15.7373 5.70899 131.283 GPRESSURE: 4136400 84.9323 -27.602 -34.5964 -48.7341 -105.126 50.8006 -12.7455 -6.28636 172.493 PRESSAVG: 4136400 -3.53099 -27.2204 64.1155 -27.2204 8.13107 -13.3919 64.1156 -13.392 -10.0808 GPRESSAVG: 4136400 -1.99987 -24.4543 65.4628 -29.4846 8.19689 -14.5429 63.24 -10.4174 -11.5971 TIMING: 4136400 CPU: 11977.9, 0.00292841/step Wall: 11977.9, 0.00292841/step, 0.702494 hours remaining, 209.769531 MB of memory in use. ENERGY: 4136400 735.2789 2084.6328 1950.3404 123.9915 -205430.0986 17640.5822 0.0000 0.0000 34340.0880 -148555.1848 299.9005 -182895.2728 -148466.5641 300.5298 21.4695 50.7664 558006.4897 -1.8269 -1.8000 PRESSURE: 4136600 -67.8623 -34.092 136.952 -34.0909 -136.701 55.5319 136.952 55.5318 -116.535 GPRESSURE: 4136600 -51.0651 14.4222 110.097 -39.5252 -154.948 -37.0765 141.187 98.5254 -21.4452 PRESSAVG: 4136600 -40.4344 42.9548 2.85246 42.9547 -11.4553 11.7895 2.85248 11.7895 -0.0731709 GPRESSAVG: 4136600 -42.3533 41.7608 2.41498 43.721 -11.3489 11.7017 1.59124 10.1141 1.78223 TIMING: 4136600 CPU: 11978.5, 0.00288767/step Wall: 11978.5, 0.00288767/step, 0.69256 hours remaining, 209.769531 MB of memory in use. ENERGY: 4136600 754.9562 2133.8570 1954.6249 122.1771 -205726.8322 17629.8931 0.0000 0.0000 34488.7144 -148642.6093 301.1985 -183131.3237 -148541.6583 301.0358 -107.0329 -75.8195 557861.0498 -17.3209 -17.3067 PRESSURE: 4136800 -232.074 -40.9902 54.2144 -40.9909 161.967 -103.86 54.2152 -103.86 11.2946 GPRESSURE: 4136800 -214.914 -36.4009 42.0668 9.39663 187.726 -132.536 70.4058 -71.1984 63.1458 PRESSAVG: 4136800 -7.00185 11.1657 -41.919 11.1657 25.7921 1.29346 -41.9191 1.2935 -10.6154 GPRESSAVG: 4136800 -5.51497 11.0724 -43.1343 10.6129 26.3579 0.427558 -41.4512 0.737668 -12.649 TIMING: 4136800 CPU: 11979, 0.00287653/step Wall: 11979, 0.00287653/step, 0.689728 hours remaining, 209.769531 MB of memory in use. ENERGY: 4136800 760.0302 2141.2859 1948.1129 116.8027 -205966.3578 17848.9997 0.0000 0.0000 34547.0043 -148604.1220 301.7076 -183151.1264 -148507.2689 301.4429 -19.6041 11.9860 557603.6160 2.7250 2.7313 PRESSURE: 4137000 63.9092 147.31 -112.289 147.311 -141.824 5.58416 -112.29 5.58427 177.351 GPRESSURE: 4137000 72.515 152.685 -105.496 224.25 -59.8555 33.2123 -62.8279 -80.3984 198.006 PRESSAVG: 4137000 5.29279 -2.00517 28.2984 -2.00524 0.626911 -28.0048 28.2983 -28.0049 -14.6484 GPRESSAVG: 4137000 4.20192 -2.28146 27.223 -0.362234 -0.273447 -30.4005 29.1491 -25.608 -12.63 TIMING: 4137000 CPU: 11979.6, 0.00289595/step Wall: 11979.6, 0.00289595/step, 0.694224 hours remaining, 209.769531 MB of memory in use. ENERGY: 4137000 737.8837 2097.0962 1948.6378 138.6385 -205884.7694 17841.5213 0.0000 0.0000 34343.0045 -148777.9875 299.9260 -183120.9920 -148686.7754 300.7430 33.1456 70.2217 558178.5739 -2.9096 -2.9005 PRESSURE: 4137200 -377.16 -5.94097 -144.244 -5.94208 -258.403 136.992 -144.243 136.993 -180.449 GPRESSURE: 4137200 -324.519 -16.0375 -169.142 -49.3808 -256.55 40.869 -138.137 122.696 -169.021 PRESSAVG: 4137200 39.745 13.1036 -69.825 13.1038 -13.9707 -15.2501 -69.825 -15.2502 18.0279 GPRESSAVG: 4137200 39.8642 12.069 -68.6388 12.9083 -13.9903 -13.101 -70.9763 -15.4485 17.2222 TIMING: 4137200 CPU: 11980.2, 0.00287901/step Wall: 11980.2, 0.00287901/step, 0.690002 hours remaining, 209.769531 MB of memory in use. ENERGY: 4137200 728.9640 2155.2931 1967.6101 115.8834 -205611.1534 17313.3737 0.0000 0.0000 34293.4302 -149036.5989 299.4931 -183330.0291 -148942.2775 300.2299 -272.0038 -250.0297 559093.0776 14.6007 14.3654 PRESSURE: 4137400 -75.278 -157.726 -8.04931 -157.727 -15.387 96.4108 -8.0488 96.4114 -37.6277 GPRESSURE: 4137400 -51.5102 -63.7394 27.223 -127.168 -4.76844 34.1025 -39.3373 68.1804 19.4684 PRESSAVG: 4137400 -74.5448 -33.9601 -53.6543 -33.9601 4.13873 -35.5786 -53.6543 -35.5785 35.4668 GPRESSAVG: 4137400 -74.0619 -31.5919 -52.9224 -34.6973 3.90268 -35.1973 -53.4542 -35.203 34.6251 TIMING: 4137400 CPU: 11980.8, 0.00290338/step Wall: 11980.8, 0.00290338/step, 0.695681 hours remaining, 209.769531 MB of memory in use. ENERGY: 4137400 724.3496 2116.7778 1927.6231 124.1723 -206136.0837 17789.7063 0.0000 0.0000 34382.0950 -149071.3597 300.2674 -183453.4547 -148979.8681 299.9836 -42.7642 -12.2701 558157.8473 -11.6464 -11.8447 PRESSURE: 4137600 -168.502 -112.893 -9.01008 -112.893 30.5118 -117.277 -9.01026 -117.276 -95.4549 GPRESSURE: 4137600 -90.2422 -181.972 53.377 -82.1302 34.4085 -104.997 -63.388 -78.9684 -80.7743 PRESSAVG: 4137600 -15.0862 -24.036 -1.97917 -24.0361 28.6137 13.2113 -1.9791 13.2113 -55.197 GPRESSAVG: 4137600 -16.1224 -24.7803 -1.70876 -23.4686 28.5328 12.9574 -1.63567 12.4 -54.7971 TIMING: 4137600 CPU: 11981.4, 0.00287126/step Wall: 11981.4, 0.00287126/step, 0.687825 hours remaining, 209.769531 MB of memory in use. ENERGY: 4137600 741.4809 2091.2260 1943.2561 109.5199 -205908.3222 17721.2158 0.0000 0.0000 34074.3488 -149227.2746 297.5798 -183301.6235 -149127.0973 299.6740 -77.8151 -45.5360 557452.3532 -13.8898 -14.1289 PRESSURE: 4137800 -8.995 -161.419 110.125 -161.419 27.3903 26.7897 110.125 26.7916 221.741 GPRESSURE: 4137800 81.5158 -149.998 118.738 -124.489 22.8289 144.082 94.7979 -96.3602 223.761 PRESSAVG: 4137800 -33.8363 35.021 7.38586 35.021 2.7615 57.8626 7.38596 57.8626 10.0823 GPRESSAVG: 4137800 -32.0176 33.3246 5.03616 36.0572 1.81923 58.2381 6.40727 57.9886 9.08249 TIMING: 4137800 CPU: 11981.9, 0.00287889/step Wall: 11981.9, 0.00287889/step, 0.689493 hours remaining, 209.769531 MB of memory in use. ENERGY: 4137800 765.5020 2106.9026 1965.0862 100.4595 -206409.5409 17951.3249 0.0000 0.0000 34209.8582 -149310.4075 298.7632 -183520.2657 -149210.0827 299.5842 80.0453 109.3686 556657.7031 -6.9975 -7.0386 PRESSURE: 4138000 326.221 49.7624 -66.5829 49.7622 192.164 -137.785 -66.5827 -137.785 29.9777 GPRESSURE: 4138000 343.383 64.2747 -83.3782 86.238 193.798 -179.15 -12.979 -93.8472 91.1921 PRESSAVG: 4138000 18.6672 31.7431 -17.369 31.7431 -13.6704 46.2807 -17.369 46.2807 -20.2884 GPRESSAVG: 4138000 18.228 30.9464 -16.6367 31.6119 -13.5495 44.8499 -15.4735 47.1194 -20.4394 TIMING: 4138000 CPU: 11982.5, 0.00289727/step Wall: 11982.5, 0.00289727/step, 0.693734 hours remaining, 209.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4138000 755.4434 2134.8135 1950.7159 113.7968 -206350.9802 17885.2844 0.0000 0.0000 34202.2815 -149308.6447 298.6970 -183510.9262 -149215.6233 298.9046 182.7878 209.4579 556220.8022 -5.0972 -5.2536 PRESSURE: 4138200 317.416 -130.304 -19.9139 -130.304 266.913 75.8891 -19.9139 75.8901 44.7182 GPRESSURE: 4138200 299.196 -114.133 -17.7958 -76.4066 352.362 95.2744 70.2467 59.3224 70.0604 PRESSAVG: 4138200 53.4436 -58.6376 -12.4954 -58.6375 -85.9481 27.0817 -12.4953 27.0817 44.2721 GPRESSAVG: 4138200 52.2236 -55.1659 -10.7149 -60.0901 -84.9278 29.27 -12.7186 26.0363 44.4608 TIMING: 4138200 CPU: 11983.1, 0.00289086/step Wall: 11983.1, 0.00289086/step, 0.69204 hours remaining, 209.769531 MB of memory in use. ENERGY: 4138200 728.9654 2147.7645 1958.9644 116.8966 -206739.2378 18040.2181 0.0000 0.0000 34309.9839 -149436.4450 299.6376 -183746.4289 -149342.4602 299.2508 209.6824 240.5396 554901.7689 3.9225 3.9189 PRESSURE: 4138400 130.187 -15.9592 -98.6585 -15.961 79.2197 -55.4336 -98.6576 -55.4327 83.1756 GPRESSURE: 4138400 158.607 -23.8474 74.6615 54.5784 126.711 -41.9863 -148.563 -46.5118 115.746 PRESSAVG: 4138400 70.4112 -18.214 -12.1882 -18.2142 -33.9266 39.8836 -12.1882 39.8837 -3.2497 GPRESSAVG: 4138400 70.9813 -20.4871 -13.3188 -18.3713 -34.3671 39.5388 -13.5044 41.6491 -3.14458 TIMING: 4138400 CPU: 11983.7, 0.00287748/step Wall: 11983.7, 0.00287748/step, 0.688677 hours remaining, 209.769531 MB of memory in use. ENERGY: 4138400 791.9406 2137.3204 1938.5835 97.9549 -206199.9054 17888.2323 0.0000 0.0000 34081.5955 -149264.2782 297.6431 -183345.8737 -149163.9162 299.2119 97.5274 133.6880 555584.4055 11.0783 11.1566 PRESSURE: 4138600 44.3445 126.801 -85.0194 126.801 -61.6 -182.081 -85.0195 -182.082 -121.419 GPRESSURE: 4138600 113.97 173.637 -131.273 122.568 -50.7413 -160.007 -87.0689 -211.744 -106.069 PRESSAVG: 4138600 60.0549 -24.1775 -4.24653 -24.1775 -61.5676 -48.8978 -4.24655 -48.8979 19.5455 GPRESSAVG: 4138600 60.1701 -23.1381 -4.90707 -25.0614 -61.7202 -48.7373 -2.76987 -50.5519 20.1372 TIMING: 4138600 CPU: 11984.2, 0.00286427/step Wall: 11984.2, 0.00286427/step, 0.685357 hours remaining, 209.769531 MB of memory in use. ENERGY: 4138600 729.6937 2050.0704 1975.7366 122.1561 -205936.3562 17669.1166 0.0000 0.0000 34274.5298 -149115.0529 299.3280 -183389.5827 -149020.9546 299.7341 -46.2250 -14.2800 556897.8014 6.0109 6.1957 PRESSURE: 4138800 -34.8559 103.028 118.014 103.027 199.818 38.8374 118.013 38.8384 -220.84 GPRESSURE: 4138800 14.0877 94.851 80.2664 62.4437 284.907 23.924 166.861 34.982 -249.166 PRESSAVG: 4138800 7.60643 35.9717 21.1996 35.9718 7.24429 37.8586 21.1995 37.8585 -21.3701 GPRESSAVG: 4138800 7.85594 36.5538 23.1026 35.9553 7.85739 36.6386 19.7317 39.7186 -22.6015 TIMING: 4138800 CPU: 11984.8, 0.00287194/step Wall: 11984.8, 0.00287194/step, 0.687032 hours remaining, 209.769531 MB of memory in use. ENERGY: 4138800 765.6425 2069.5843 1942.8359 113.0845 -206293.2187 17958.7033 0.0000 0.0000 34283.4635 -149159.9048 299.4060 -183443.3683 -149061.6392 299.4975 -18.6261 16.6095 556457.0504 -2.1731 -2.2961 PRESSURE: 4139000 70.3171 28.177 -72.4802 28.1758 -156.326 162.651 -72.4819 162.654 -134.476 GPRESSURE: 4139000 52.102 81.2174 -70.4764 -15.7325 -115.287 158.114 -95.2368 139.694 -52.5648 PRESSAVG: 4139000 21.8141 61.6351 15.7055 61.635 -1.71194 5.82045 15.7054 5.82049 2.39474 GPRESSAVG: 4139000 21.2219 62.9579 15.2196 60.4696 -1.30213 6.48679 16.3721 5.73702 2.72533 TIMING: 4139000 CPU: 11985.4, 0.00286669/step Wall: 11985.4, 0.00286669/step, 0.685617 hours remaining, 209.769531 MB of memory in use. ENERGY: 4139000 781.4223 2133.1374 1917.8256 113.2581 -205947.5099 17846.3161 0.0000 0.0000 34223.7623 -148931.7881 298.8846 -183155.5504 -148841.5102 299.3697 -73.4951 -38.5833 558177.3700 7.4990 7.5484 PRESSURE: 4139200 -46.1799 103.076 167.92 103.076 -214.992 85.0582 167.918 85.0584 -179.242 GPRESSURE: 4139200 -10.681 46.9707 184.41 17.0254 -217.67 91.141 93.8142 63.3224 -115.205 PRESSAVG: 4139200 5.7893 27.5829 -16.1015 27.5829 -82.1145 -17.7068 -16.1015 -17.7069 36.8559 GPRESSAVG: 4139200 5.95172 24.9241 -17.1411 28.5469 -82.1336 -16.8348 -18.4674 -20.0399 36.9578 TIMING: 4139200 CPU: 11986, 0.00288416/step Wall: 11986, 0.00288416/step, 0.689634 hours remaining, 209.769531 MB of memory in use. ENERGY: 4139200 749.3652 2113.6452 1920.6109 104.8669 -206061.3790 17749.5881 0.0000 0.0000 34439.0594 -148984.2434 300.7649 -183423.3028 -148887.9088 300.3782 -146.8048 -114.5190 558459.2792 -13.1564 -13.0747 PRESSURE: 4139400 -168.467 3.52012 72.8096 3.51882 -195.754 -11.8346 72.8096 -11.8352 -316.124 GPRESSURE: 4139400 -121.942 125.565 119.319 -39.8941 -135.366 -30.5258 10.1227 67.7981 -328.096 PRESSAVG: 4139400 -4.92713 -6.45526 54.5778 -6.45522 -88.0514 41.8292 54.5778 41.8291 68.499 GPRESSAVG: 4139400 -5.03603 -4.46374 53.6488 -6.61944 -87.2904 41.2259 58.4361 45.0078 67.8077 TIMING: 4139400 CPU: 11986.5, 0.00288331/step Wall: 11986.5, 0.00288331/step, 0.68927 hours remaining, 209.769531 MB of memory in use. ENERGY: 4139400 737.8335 2059.6180 1922.4040 113.5662 -205869.4026 17702.6421 0.0000 0.0000 34318.1411 -149015.1977 299.7089 -183333.3388 -148904.7019 300.8241 -226.7818 -195.1344 559363.0105 -8.1599 -8.1729 PRESSURE: 4139600 -9.74329 84.3038 6.40463 84.3036 42.8139 -107.083 6.40481 -107.082 53.7907 GPRESSURE: 4139600 59.27 73.6059 12.7466 103.686 81.997 -47.1761 -6.89848 -95.2417 48.2482 PRESSAVG: 4139600 -69.874 5.13345 -1.22248 5.13349 7.81142 -8.57581 -1.22243 -8.57584 22.7249 GPRESSAVG: 4139600 -70.1838 3.81351 0.278646 6.50611 6.86103 -6.34455 -2.71954 -11.6477 23.5821 TIMING: 4139600 CPU: 11987.1, 0.00288708/step Wall: 11987.1, 0.00288708/step, 0.690013 hours remaining, 209.769531 MB of memory in use. ENERGY: 4139600 773.1978 2072.5031 1949.9586 125.3726 -206187.5088 17926.3389 0.0000 0.0000 34405.2718 -148934.8660 300.4698 -183340.1379 -148832.6613 300.1182 28.9538 63.1718 557738.6611 -13.1126 -13.2469 PRESSURE: 4139800 -348.339 1.52402 25.6441 1.52417 -81.8131 -94.2845 25.6441 -94.2837 -146.776 GPRESSURE: 4139800 -316.7 20.2038 68.8436 10.8787 -64.9892 -119.417 -24.1493 -57.5379 -73.4068 PRESSAVG: 4139800 25.1001 54.7801 24.3945 54.7801 -50.6592 -4.10475 24.3944 -4.10474 -20.1642 GPRESSAVG: 4139800 25.5006 54.7461 25.6968 55.0847 -51.4875 -7.62182 22.3877 -2.20308 -19.4502 TIMING: 4139800 CPU: 11987.7, 0.0028721/step Wall: 11987.7, 0.0028721/step, 0.686272 hours remaining, 209.769531 MB of memory in use. ENERGY: 4139800 745.5549 2047.3797 1937.4894 111.7137 -205406.1703 17322.0465 0.0000 0.0000 34284.6643 -148957.3218 299.4165 -183241.9861 -148855.2412 299.7321 -192.3094 -151.6988 558117.2074 -15.2411 -15.1457 PRESSURE: 4140000 -14.2692 27.903 -105.625 27.9031 -82.6674 -6.33434 -105.624 -6.33509 -257.933 GPRESSURE: 4140000 9.70811 61.2904 -129.051 3.6321 -63.7429 -16.2354 -138.953 0.0459388 -205.633 PRESSAVG: 4140000 -25.7334 37.5791 -4.03764 37.5791 52.1099 34.4931 -4.03769 34.4931 1.36552 GPRESSAVG: 4140000 -25.2465 37.9458 -5.56258 36.5938 52.2323 35.4817 -1.81436 32.5831 1.34338 TIMING: 4140000 CPU: 11988.3, 0.00287835/step Wall: 11988.3, 0.00287835/step, 0.687607 hours remaining, 209.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4140000 734.7550 2102.9215 1946.7299 123.8635 -205565.9657 17557.2137 0.0000 0.0000 34196.0460 -148904.4362 298.6426 -183100.4822 -148808.2371 300.3195 -118.2898 -86.5561 556419.4743 9.2474 9.4431 PRESSURE: 4140200 38.1431 17.2644 113.837 17.2637 -178.524 -52.3276 113.837 -52.3261 -144.83 GPRESSURE: 4140200 28.8678 -41.1277 184.858 70.2133 -129.486 -81.141 76.0428 -15.7489 -100.265 PRESSAVG: 4140200 -54.531 22.9512 69.6818 22.9513 2.45617 -72.6021 69.6817 -72.6021 5.49544 GPRESSAVG: 4140200 -54.9279 22.3508 71.9495 22.9546 3.02107 -73.0952 70.6866 -73.103 5.36753 TIMING: 4140200 CPU: 11988.8, 0.00288977/step Wall: 11988.8, 0.00288978/step, 0.690175 hours remaining, 209.972656 MB of memory in use. ENERGY: 4140200 741.1719 2134.4292 1954.2982 111.4093 -205809.7033 17668.5629 0.0000 0.0000 34269.0566 -148930.7753 299.2802 -183199.8318 -148835.0433 300.0398 -95.0706 -66.9609 557575.9657 -15.5265 -15.5131 LDB: ============= START OF LOAD BALANCING ============== 11992.2 LDB: ============== END OF LOAD BALANCING =============== 11992.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11992.2 LDB: ============= START OF LOAD BALANCING ============== 11992.5 LDB: Largest compute 4773 load 0.023671 is 20.1% of average load 0.118041 LDB: Average compute 0.001732 is 1.5% of average load 0.118041 LDB: TIME 11992.5 LOAD: AVG 0.118041 MAX 0.181339 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.562 MB LDB: TIME 11992.5 LOAD: AVG 0.118041 MAX 0.181339 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.762 MB LDB: TIME 11992.5 LOAD: AVG 0.118041 MAX 0.181339 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11992.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11992.5 PRESSURE: 4140400 -33.361 77.604 -0.191779 77.6024 94.0154 -63.5373 -0.191259 -63.5363 -129.612 GPRESSURE: 4140400 50.3732 19.7078 53.3873 29.3376 143.892 -144.492 -48.7542 -62.1917 -146.813 PRESSAVG: 4140400 16.3121 -1.27599 33.5682 -1.27601 38.891 -4.61955 33.5682 -4.61961 -10.0358 GPRESSAVG: 4140400 15.7783 -1.27142 31.7859 -2.01677 39.1479 -5.25604 32.4793 -4.08185 -9.69653 TIMING: 4140400 CPU: 11989.4, 0.00295114/step Wall: 11989.4, 0.00295114/step, 0.704666 hours remaining, 211.621094 MB of memory in use. ENERGY: 4140400 712.8260 2107.2326 1928.9281 117.6886 -205731.7319 17716.3873 0.0000 0.0000 34199.3625 -148949.3068 298.6715 -183148.6693 -148851.6885 300.2816 -22.9859 15.8174 558363.4065 15.0557 15.0766 PRESSURE: 4140600 -232.366 151.013 37.7728 151.014 188.702 -130.338 37.7742 -130.338 -80.0226 GPRESSURE: 4140600 -141.591 140.872 -16.1329 164.384 147.777 -79.8612 4.83763 -187.924 -17.9793 PRESSAVG: 4140600 -41.0086 15.6348 11.4471 15.6348 -5.24126 30.887 11.4471 30.887 26.2012 GPRESSAVG: 4140600 -42.1874 15.1767 12.08 17.316 -5.57985 30.5159 9.74692 33.0503 27.6169 TIMING: 4140600 CPU: 11990, 0.00289673/step Wall: 11990, 0.00289673/step, 0.691513 hours remaining, 211.820312 MB of memory in use. ENERGY: 4140600 757.4500 2074.6454 1937.7802 115.6055 -206021.9108 17788.1847 0.0000 0.0000 34419.8925 -148928.3525 300.5975 -183348.2450 -148831.5885 300.3133 -41.2288 -3.9311 559773.4196 -6.6829 -6.7168 PRESSURE: 4140800 -249.088 -179.995 57.719 -179.995 -131.999 76.0379 57.7201 76.0374 57.0671 GPRESSURE: 4140800 -195.012 -190.261 185.93 -214.927 -71.5407 145.171 28.947 67.2273 66.248 PRESSAVG: 4140800 -93.4062 -33.0075 20.0997 -33.0075 89.9588 83.6197 20.0997 83.6196 -0.137268 GPRESSAVG: 4140800 -92.8389 -33.3169 20.1736 -33.9701 90.5517 85.5118 21.8492 82.2472 -1.09947 TIMING: 4140800 CPU: 11990.6, 0.00289011/step Wall: 11990.6, 0.00289011/step, 0.689773 hours remaining, 211.820312 MB of memory in use. ENERGY: 4140800 751.4099 2054.5036 1943.8508 118.7645 -205959.5917 17774.1668 0.0000 0.0000 34366.2924 -148950.6037 300.1294 -183316.8961 -148851.5836 299.4678 -108.0066 -66.7682 558441.3111 -1.1949 -1.1289 PRESSURE: 4141000 0.974706 -120.571 7.06627 -120.571 -176.386 127.895 7.0658 127.894 -85.8146 GPRESSURE: 4141000 -9.12856 -63.9356 37.2794 -123.102 -112.49 65.8777 -5.87379 122.843 -47.6432 PRESSAVG: 4141000 -1.9239 -36.3704 -22.7139 -36.3704 17.2548 109.731 -22.714 109.731 -37.833 GPRESSAVG: 4141000 -1.10136 -33.6913 -23.4147 -38.6422 17.5802 110.206 -23.5514 110.869 -38.4486 TIMING: 4141000 CPU: 11991.2, 0.00287953/step Wall: 11991.2, 0.00287953/step, 0.687089 hours remaining, 211.820312 MB of memory in use. ENERGY: 4141000 737.7631 2110.6455 1952.3670 113.8772 -205633.6312 17428.7500 0.0000 0.0000 34291.8067 -148998.4218 299.4789 -183290.2285 -148899.5204 299.8628 -87.0755 -56.4206 557403.8816 -7.5007 -7.3232 PRESSURE: 4141200 373.127 -36.8547 -119.252 -36.855 131.888 158.819 -119.253 158.816 24.637 GPRESSURE: 4141200 457.552 53.1656 -118.038 -127.798 115.622 208.513 -236.112 104.33 62.2111 PRESSAVG: 4141200 -50.9665 12.4201 34.7313 12.42 16.0783 54.1924 34.7313 54.1924 -0.131971 GPRESSAVG: 4141200 -50.4162 9.15596 33.1997 14.4792 15.2542 52.698 33.9302 53.1742 0.38652 TIMING: 4141200 CPU: 11991.7, 0.00289122/step Wall: 11991.7, 0.00289122/step, 0.689717 hours remaining, 211.820312 MB of memory in use. ENERGY: 4141200 746.3638 2035.4721 1962.7136 116.2615 -205906.5093 17857.6262 0.0000 0.0000 34198.9048 -148989.1674 298.6675 -183188.0722 -148892.1384 300.0121 176.5506 211.7949 555086.8330 -11.6734 -11.5918 PRESSURE: 4141400 101.308 86.2384 71.7102 86.2386 -28.7334 -102.541 71.7091 -102.542 -308.212 GPRESSURE: 4141400 130.203 27.9162 157.106 111.41 -10.8736 -99.2598 -1.69593 -88.4427 -255.008 PRESSAVG: 4141400 43.0305 -13.1572 21.4069 -13.1572 -6.83185 16.5326 21.4068 16.5326 -34.4454 GPRESSAVG: 4141400 42.786 -11.5378 24.3143 -13.9541 -6.5093 14.9898 19.8336 18.0546 -34.153 TIMING: 4141400 CPU: 11992.3, 0.00287899/step Wall: 11992.3, 0.00287899/step, 0.686638 hours remaining, 211.820312 MB of memory in use. ENERGY: 4141400 739.5425 2047.0122 1952.7536 119.9951 -205998.0220 17723.0020 0.0000 0.0000 34447.8158 -148967.9008 300.8413 -183415.7166 -148873.2980 299.8152 -78.5456 -45.2263 557991.8501 0.5844 0.7079 PRESSURE: 4141600 -90.2493 -25.9838 -126.822 -25.9838 141.352 -180.932 -126.822 -180.932 -86.1416 GPRESSURE: 4141600 -66.8992 -77.1082 -142.282 -7.67231 146.143 -167.774 -47.0859 -113.421 -27.1752 PRESSAVG: 4141600 11.1631 -3.03982 -9.90136 -3.03993 54.7785 -21.5163 -9.90141 -21.5164 -47.3163 GPRESSAVG: 4141600 12.1479 -2.79755 -11.2217 -2.00766 54.9433 -19.6817 -7.28834 -22.8024 -48.3017 TIMING: 4141600 CPU: 11992.9, 0.00287273/step Wall: 11992.9, 0.00287273/step, 0.684986 hours remaining, 211.820312 MB of memory in use. ENERGY: 4141600 747.7351 2111.1321 1951.0590 115.6447 -205789.9546 17633.1155 0.0000 0.0000 34228.2352 -149003.0330 298.9237 -183231.2682 -148910.4088 299.5895 -11.6796 17.3563 557086.9724 6.2084 6.2632 PRESSURE: 4141800 109.615 161.149 28.8405 161.149 92.9415 131.398 28.8404 131.398 -10.3766 GPRESSURE: 4141800 158.99 126.348 70.1867 105.051 91.3045 -27.4419 -12.7868 189.938 36.9422 PRESSAVG: 4141800 32.0189 3.78229 24.5757 3.78234 -31.1497 -31.6969 24.5757 -31.6969 -8.08 GPRESSAVG: 4141800 31.1984 2.14713 24.4606 4.31599 -31.3026 -30.9008 25.8193 -32.4335 -6.9839 TIMING: 4141800 CPU: 11993.5, 0.0028647/step Wall: 11993.5, 0.0028647/step, 0.682912 hours remaining, 211.820312 MB of memory in use. ENERGY: 4141800 736.4443 2057.3681 1957.6124 106.7752 -206365.4544 18034.0873 0.0000 0.0000 34441.7567 -149031.4103 300.7884 -183473.1670 -148935.6188 299.7892 64.0601 95.7455 557561.1348 -2.4036 -2.3627 PRESSURE: 4142000 -78.6013 58.834 -101.048 58.8341 157.991 -137.046 -101.049 -137.044 -157.597 GPRESSURE: 4142000 -78.2083 41.8056 -62.2559 81.8543 217.071 -97.8496 -11.1912 -130.17 -122.401 PRESSAVG: 4142000 10.8099 -51.5042 -32.0077 -51.5042 -31.4636 -44.324 -32.0077 -44.324 -1.3055 GPRESSAVG: 4142000 11.042 -49.3484 -30.2016 -53.2039 -31.2792 -45.5632 -33.015 -44.7633 -0.920449 TIMING: 4142000 CPU: 11994, 0.00287685/step Wall: 11994, 0.00287685/step, 0.685649 hours remaining, 211.820312 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: 4142000 754.3550 2101.9590 1937.6078 109.0194 -205834.6812 17561.9606 0.0000 0.0000 34353.6224 -149016.1570 300.0187 -183369.7793 -148922.5707 299.4935 -26.0693 5.4875 557146.0716 -7.3197 -7.0526 PRESSURE: 4142200 -236.692 -37.4396 68.1309 -37.4396 -239.811 250.954 68.1314 250.954 10.358 GPRESSURE: 4142200 -162.287 -63.9313 119.274 -49.2995 -252.018 241.322 13.9326 233.595 47.811 PRESSAVG: 4142200 25.5151 1.27925 27.978 1.27928 -48.1454 16.821 27.9779 16.821 -2.36413 GPRESSAVG: 4142200 26.9861 0.0719399 28.772 1.91357 -50.3026 17.6494 28.059 16.8071 -1.44263 TIMING: 4142200 CPU: 11994.6, 0.00291544/step Wall: 11994.6, 0.00291544/step, 0.694684 hours remaining, 211.820312 MB of memory in use. ENERGY: 4142200 698.2143 2094.9572 1931.4673 122.8918 -205690.0930 17373.8025 0.0000 0.0000 34433.4218 -149035.3381 300.7156 -183468.7599 -148938.1108 300.3378 -155.3816 -122.1649 557546.7214 -8.3315 -8.2530 PRESSURE: 4142400 -170.925 -173.384 -74.8805 -173.384 -69.1019 7.47151 -74.8816 7.47118 31.6559 GPRESSURE: 4142400 -144.135 -97.0584 -90.4642 -270.456 -55.9647 -17.3704 -43.5702 25.4916 88.4707 PRESSAVG: 4142400 19.3109 -8.39579 -23.5179 -8.39579 -21.1852 17.9048 -23.5178 17.9048 -28.9068 GPRESSAVG: 4142400 19.1138 -7.24024 -25.3316 -6.13827 -19.5588 17.8533 -23.7794 18.2093 -30.6734 TIMING: 4142400 CPU: 11995.2, 0.00289427/step Wall: 11995.2, 0.00289427/step, 0.689478 hours remaining, 211.820312 MB of memory in use. ENERGY: 4142400 734.0364 2073.6793 1973.1212 123.3538 -205943.8341 17503.4901 0.0000 0.0000 34436.6452 -149099.5082 300.7438 -183536.1533 -148997.4794 299.0242 -69.4570 -37.2096 556876.6066 -10.2603 -10.3728 PRESSURE: 4142600 -280.38 -85.704 27.1943 -85.705 -27.1711 -11.9463 27.1951 -11.9463 -14.1249 GPRESSURE: 4142600 -241.224 -43.9454 36.3124 -76.9806 -16.8617 50.2104 -86.6557 -105.163 16.0718 PRESSAVG: 4142600 9.69415 -46.9728 -16.6398 -46.9728 -22.4609 -36.6561 -16.6398 -36.6561 3.01069 GPRESSAVG: 4142600 9.10378 -47.6886 -16.6388 -46.8746 -22.7467 -35.7122 -15.9684 -37.4123 3.15226 TIMING: 4142600 CPU: 11995.8, 0.00290249/step Wall: 11995.8, 0.00290249/step, 0.691277 hours remaining, 211.820312 MB of memory in use. ENERGY: 4142600 698.8890 2095.3989 1940.6881 108.9350 -205382.7177 17325.7442 0.0000 0.0000 34247.1504 -148965.9120 299.0889 -183213.0625 -148867.8157 299.4856 -107.2254 -80.6712 558181.0672 -3.2520 -3.4969 PRESSURE: 4142800 117.661 112.83 -12.8736 112.827 -211.282 59.5031 -12.874 59.5023 -242.416 GPRESSURE: 4142800 157.431 97.6487 -44.5989 68.6733 -143.919 69.9882 -12.7778 55.829 -247.12 PRESSAVG: 4142800 32.8725 -9.44911 -0.248517 -9.44918 -6.52592 -0.264807 -0.248443 -0.264855 -62.8014 GPRESSAVG: 4142800 32.9872 -9.39643 -0.119777 -10.751 -6.55617 -2.84293 -1.58302 0.845669 -62.5019 TIMING: 4142800 CPU: 11996.4, 0.00287482/step Wall: 11996.4, 0.00287482/step, 0.684526 hours remaining, 211.820312 MB of memory in use. ENERGY: 4142800 727.1630 2065.6815 1938.0178 121.7914 -206052.7572 17598.4149 0.0000 0.0000 34367.1687 -149234.5199 300.1370 -183601.6886 -149133.4955 299.1015 -112.0125 -77.8697 557949.4956 -12.1516 -12.0236 PRESSURE: 4143000 -76.943 231.748 23.6114 231.749 -30.1939 57.1011 23.6126 57.1026 63.7816 GPRESSURE: 4143000 -16.1849 252.131 -36.0884 205.144 -39.4947 86.2001 43.4506 106.184 116.085 PRESSAVG: 4143000 -26.3658 -6.93199 -8.46522 -6.93197 42.5016 -21.6772 -8.4653 -21.6772 -7.29983 GPRESSAVG: 4143000 -26.8553 -7.20712 -9.08209 -7.25806 43.3018 -20.9798 -7.92233 -21.8144 -7.23928 TIMING: 4143000 CPU: 11996.9, 0.00288585/step Wall: 11996.9, 0.00288585/step, 0.686992 hours remaining, 211.820312 MB of memory in use. ENERGY: 4143000 735.3782 2033.0619 1981.0987 107.8995 -205602.8327 17459.1100 0.0000 0.0000 34046.0902 -149240.1942 297.3330 -183286.2844 -149148.5094 298.8859 -14.4518 20.1350 557158.2115 2.9453 3.0691 PRESSURE: 4143200 -88.4095 126.273 72.6381 126.274 -29.4973 154.042 72.6378 154.043 46.388 GPRESSURE: 4143200 -55.9534 108.705 83.2975 94.4457 16.574 19.0122 70.6922 203.316 72.2323 PRESSAVG: 4143200 -43.5955 24.951 -17.7439 24.9508 85.9759 42.9108 -17.744 42.9107 -35.3409 GPRESSAVG: 4143200 -41.697 25.6569 -17.366 24.4368 84.7263 42.4939 -15.5912 43.9829 -35.7707 TIMING: 4143200 CPU: 11997.5, 0.00287471/step Wall: 11997.5, 0.00287471/step, 0.68418 hours remaining, 212.023438 MB of memory in use. ENERGY: 4143200 756.0852 2017.3156 1958.7173 106.0915 -206186.1516 17733.9454 0.0000 0.0000 34218.9279 -149395.0687 298.8424 -183613.9965 -149296.0445 299.4667 -23.8396 10.9509 556170.6776 2.3465 2.4195 PRESSURE: 4143400 87.3626 23.6077 -14.983 23.607 -157.841 63.2656 -14.983 63.2657 58.1038 GPRESSURE: 4143400 109.174 -0.345086 -113.872 4.26308 -47.3814 89.0379 88.512 64.1218 15.6722 PRESSAVG: 4143400 41.7488 -28.0937 1.69376 -28.0938 19.2652 35.2037 1.69383 35.2037 -43.9128 GPRESSAVG: 4143400 41.0387 -27.6173 -0.399488 -27.3052 19.774 35.4403 -0.462418 34.6793 -43.9262 TIMING: 4143400 CPU: 11998.1, 0.00288112/step Wall: 11998.1, 0.00288112/step, 0.685546 hours remaining, 212.023438 MB of memory in use. ENERGY: 4143400 772.2527 2081.7100 1926.8123 96.0684 -206199.8777 17755.6759 0.0000 0.0000 34307.9829 -149259.3755 299.6201 -183567.3583 -149158.2254 298.8042 -4.1247 25.8216 556502.8952 5.7004 5.6288 PRESSURE: 4143600 49.032 -121.961 -23.6918 -121.962 40.4516 -25.3986 -23.6906 -25.4007 74.2241 GPRESSURE: 4143600 114.205 -108.179 -101.451 -108.118 35.0734 -11.2295 41.4944 -105.006 106.405 PRESSAVG: 4143600 -2.72103 -26.2088 -27.2897 -26.2088 19.7258 30.5999 -27.2897 30.5998 -49.5817 GPRESSAVG: 4143600 -2.60761 -29.0809 -25.3168 -25.4569 19.2505 31.1505 -25.2603 31.0117 -49.3488 TIMING: 4143600 CPU: 11998.7, 0.00287481/step Wall: 11998.7, 0.00287481/step, 0.683885 hours remaining, 212.023438 MB of memory in use. ENERGY: 4143600 745.7217 2091.9712 1945.8360 104.5287 -206483.9787 18006.7191 0.0000 0.0000 34270.3244 -149318.8775 299.2913 -183589.2019 -149227.0452 298.9848 54.5692 85.2278 556082.5541 -10.8590 -10.9020 PRESSURE: 4143800 -179.92 55.3467 22.0506 55.3467 118.147 -46.1022 22.0516 -46.1019 115.594 GPRESSURE: 4143800 -91.6942 75.9386 24.4797 39.89 119.767 55.7249 56.5995 -138.489 120.162 PRESSAVG: 4143800 -14.958 -29.0752 -55.5043 -29.0752 59.7333 -3.24997 -55.5044 -3.25006 -20.7558 GPRESSAVG: 4143800 -15.2852 -27.2408 -55.3283 -30.3245 59.906 -1.92735 -55.4045 -3.91199 -20.9633 TIMING: 4143800 CPU: 11999.2, 0.00286994/step Wall: 11999.2, 0.00286994/step, 0.682568 hours remaining, 212.023438 MB of memory in use. ENERGY: 4143800 736.9191 2056.7164 1966.4829 123.9768 -206122.1642 17684.6113 0.0000 0.0000 34160.9016 -149392.5562 298.3357 -183553.4578 -149301.1391 299.1926 17.9404 49.4116 554697.5115 8.0065 7.8858 PRESSURE: 4144000 46.4718 -70.6025 11.2681 -70.6036 200.949 60.7553 11.2689 60.7532 374.645 GPRESSURE: 4144000 169.989 -109.602 17.532 -75.1442 198.902 61.3212 64.2954 134.712 342.381 PRESSAVG: 4144000 -19.5925 35.3679 -14.737 35.3679 40.517 24.3811 -14.737 24.381 -24.7782 GPRESSAVG: 4144000 -19.6039 35.3889 -14.1779 35.8886 39.7799 23.6466 -16.4183 23.4066 -23.5855 TIMING: 4144000 CPU: 11999.8, 0.00288411/step Wall: 11999.8, 0.00288411/step, 0.685777 hours remaining, 212.023438 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: 4144000 757.6562 2048.7247 1925.4960 108.4815 -206606.1376 17925.0773 0.0000 0.0000 34466.7761 -149373.9257 301.0069 -183840.7018 -149275.4147 298.9268 207.3555 237.0906 554564.0700 -1.2846 -1.1365 PRESSURE: 4144200 -150.914 -75.1485 -82.9696 -75.1495 -88.225 82.1941 -82.9693 82.1918 -136.244 GPRESSURE: 4144200 -57.7058 5.739 -134.272 -165.589 -77.4988 59.0323 -8.62483 114.068 -151.595 PRESSAVG: 4144200 32.6675 24.7053 -12.7946 24.7054 -37.8755 1.76537 -12.7946 1.76537 -39.7249 GPRESSAVG: 4144200 33.0981 23.9379 -12.3599 24.8496 -35.4675 1.717 -11.7899 2.23153 -41.7563 TIMING: 4144200 CPU: 12000.4, 0.00286283/step Wall: 12000.4, 0.00286283/step, 0.680559 hours remaining, 212.023438 MB of memory in use. ENERGY: 4144200 730.2755 2096.4672 1923.4843 105.7727 -205990.3610 17415.4262 0.0000 0.0000 34254.6231 -149464.3120 299.1541 -183718.9351 -149372.1145 298.7389 -125.1276 -95.6000 555995.2309 -14.9776 -14.7086 LDB: ============= START OF LOAD BALANCING ============== 12003.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12003.8 LDB: =============== DONE WITH MIGRATION ================ 12003.8 LDB: ============= START OF LOAD BALANCING ============== 12004.1 LDB: Largest compute 4773 load 0.024075 is 20.4% of average load 0.118094 LDB: Average compute 0.001719 is 1.5% of average load 0.118094 LDB: TIME 12004.1 LOAD: AVG 0.118094 MAX 0.175529 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.988 MB LDB: TIME 12004.1 LOAD: AVG 0.118094 MAX 0.175529 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.988 MB LDB: TIME 12004.1 LOAD: AVG 0.118094 MAX 0.175529 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.988 MB LDB: ============== END OF LOAD BALANCING =============== 12004.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12004.1 PRESSURE: 4144400 -173.661 35.8478 34.8418 35.848 80.6093 181.793 34.8422 181.793 5.0834 GPRESSURE: 4144400 -139.046 -5.49701 87.8631 14.3517 125.035 179.819 41.0045 110.903 26.7887 PRESSAVG: 4144400 -72.7008 37.1847 -11.4612 37.1846 27.7346 72.9853 -11.4613 72.9852 34.3585 GPRESSAVG: 4144400 -73.3914 38.1585 -11.6343 38.0373 27.3965 73.0275 -10.8287 72.0538 35.5784 TIMING: 4144400 CPU: 12001, 0.00290803/step Wall: 12001, 0.00290803/step, 0.691142 hours remaining, 210.148438 MB of memory in use. ENERGY: 4144400 758.9932 2132.0611 1933.3039 112.5097 -206342.5958 17704.4127 0.0000 0.0000 34119.5959 -149581.7192 297.9749 -183701.3151 -149480.2900 298.1432 -29.3228 4.2592 556519.7769 -3.5359 -3.4722 PRESSURE: 4144600 15.7574 23.1521 43.1245 23.1536 145.271 -49.6237 43.1245 -49.622 126.308 GPRESSURE: 4144600 80.4971 -39.4798 147.13 18.0861 186.999 -15.2402 -55.7788 -1.14102 120.512 PRESSAVG: 4144600 -10.3808 33.1777 -41.2459 33.1776 27.4252 20.8272 -41.2459 20.8271 -3.65224 GPRESSAVG: 4144600 -11.2181 33.3461 -41.3903 31.3964 27.6714 20.2647 -42.2069 22.8437 -2.32155 TIMING: 4144600 CPU: 12001.5, 0.00289675/step Wall: 12001.5, 0.00289675/step, 0.688299 hours remaining, 210.148438 MB of memory in use. ENERGY: 4144600 775.0159 2080.0797 1938.4983 107.4110 -206420.3442 17979.6220 0.0000 0.0000 34030.4397 -149509.2775 297.1963 -183539.7172 -149414.0157 297.9553 95.7785 129.3362 556234.9808 4.4641 4.7106 PRESSURE: 4144800 -96.3346 38.7758 -89.2741 38.7748 -103.772 76.989 -89.275 76.9884 -144.667 GPRESSURE: 4144800 -102.245 60.7357 -45.3971 45.7078 -67.1841 64.6805 -59.7633 72.9384 -78.1987 PRESSAVG: 4144800 -18.0363 -18.037 19.2639 -18.037 5.12471 39.8184 19.2638 39.8185 13.8305 GPRESSAVG: 4144800 -17.8252 -18.982 20.3062 -17.1662 5.47288 39.1868 19.593 40.438 13.6012 TIMING: 4144800 CPU: 12002.1, 0.00289253/step Wall: 12002.1, 0.00289253/step, 0.687137 hours remaining, 210.148438 MB of memory in use. ENERGY: 4144800 757.4255 2093.5430 1954.1547 109.2656 -206484.5683 17770.6150 0.0000 0.0000 34207.7792 -149591.7854 298.7450 -183799.5645 -149499.6198 298.7403 -114.9243 -82.5426 557005.5215 0.3063 0.4163 PRESSURE: 4145000 -92.504 176.237 -37.7795 176.237 -35.8349 76.0575 -37.7795 76.0575 334.011 GPRESSURE: 4145000 -65.8718 288.831 -78.663 143.357 38.3631 48.6353 -7.9801 148.565 336.639 PRESSAVG: 4145000 28.3765 -8.96865 11.8527 -8.9687 -30.8969 34.7954 11.8527 34.7954 -29.0146 GPRESSAVG: 4145000 29.8326 -8.53903 8.58865 -6.99303 -30.3734 34.0553 13.7929 34.6076 -30.9165 TIMING: 4145000 CPU: 12002.7, 0.00289222/step Wall: 12002.7, 0.00289222/step, 0.686903 hours remaining, 210.148438 MB of memory in use. ENERGY: 4145000 721.9196 2077.9694 1932.9656 106.1708 -206503.7455 17875.8370 0.0000 0.0000 33990.9837 -149797.8995 296.8517 -183788.8832 -149708.9697 297.6131 68.5573 103.0433 556793.0981 -10.5117 -10.4858 PRESSURE: 4145200 -40.638 217.769 181.802 217.769 176.911 -41.4596 181.804 -41.46 -38.253 GPRESSURE: 4145200 -12.5328 224.191 172.674 53.3171 198.822 -86.3979 148.852 30.9704 -2.36218 PRESSAVG: 4145200 -45.1443 22.5881 16.828 22.5881 32.017 -61.5673 16.8279 -61.5674 -12.1162 GPRESSAVG: 4145200 -45.9175 21.9905 17.7802 19.8163 31.0486 -59.4379 17.2209 -63.2776 -11.1351 TIMING: 4145200 CPU: 12003.3, 0.00291306/step Wall: 12003.3, 0.00291306/step, 0.691689 hours remaining, 210.148438 MB of memory in use. ENERGY: 4145200 721.7302 2121.6156 1931.3534 109.5483 -206700.9631 18055.7511 0.0000 0.0000 33909.0882 -149851.8762 296.1365 -183760.9644 -149755.8877 297.3597 32.6732 61.3091 556787.9005 -8.4145 -8.6680 PRESSURE: 4145400 -32.4165 -129.426 265.64 -129.426 -273.709 -27.2325 265.64 -27.2337 -179.979 GPRESSURE: 4145400 -2.88993 -43.1975 284.477 -222.554 -214.88 -16.239 211.603 44.1553 -168.323 PRESSAVG: 4145400 -5.85762 -5.79701 71.7554 -5.79694 47.7538 -35.1047 71.7555 -35.1046 -82.83 GPRESSAVG: 4145400 -5.9642 -4.72156 72.6932 -6.34407 47.6958 -36.8539 71.8258 -35.1889 -82.4094 TIMING: 4145400 CPU: 12003.9, 0.00290083/step Wall: 12003.9, 0.00290083/step, 0.688626 hours remaining, 210.148438 MB of memory in use. ENERGY: 4145400 773.7047 2088.3557 1946.5688 112.4961 -206210.9639 17687.1675 0.0000 0.0000 33956.1761 -149646.4949 296.5477 -183602.6711 -149551.6687 297.6119 -162.0348 -128.6976 557065.5434 -13.6446 -13.5593 PRESSURE: 4145600 -104.358 -29.0202 122.989 -29.0208 -196.15 119.712 122.988 119.712 -433.018 GPRESSURE: 4145600 -52.4762 -58.3245 224.437 17.4187 -206.853 117.42 11.7451 91.4584 -365.145 PRESSAVG: 4145600 107.21 29.4558 72.444 29.4558 17.2099 -52.1655 72.444 -52.1655 -51.4183 GPRESSAVG: 4145600 107.676 29.2159 71.5786 30.7778 16.4473 -53.4697 70.2068 -51.1448 -50.9935 TIMING: 4145600 CPU: 12004.4, 0.00288178/step Wall: 12004.4, 0.00288178/step, 0.683942 hours remaining, 210.148438 MB of memory in use. ENERGY: 4145600 760.6037 2110.1976 1946.8737 113.3892 -206112.1650 17562.4179 0.0000 0.0000 34071.1947 -149547.4883 297.5522 -183618.6830 -149450.4155 297.9947 -244.5085 -208.1583 558832.1317 24.3339 24.3767 PRESSURE: 4145800 -40.0633 157.317 6.0476 157.316 65.4101 -196.904 6.04659 -196.904 -156.855 GPRESSURE: 4145800 15.6452 225.317 12.3725 116.765 69.4662 -105.822 46.8095 -181.29 -119.481 PRESSAVG: 4145800 -30.0854 27.4109 7.71349 27.411 24.9152 -38.9742 7.71352 -38.9742 -16.1714 GPRESSAVG: 4145800 -31.589 26.6756 8.16085 28.6599 25.6718 -36.6274 7.88134 -39.7642 -15.5381 TIMING: 4145800 CPU: 12005, 0.00287681/step Wall: 12005, 0.00287681/step, 0.682602 hours remaining, 210.148438 MB of memory in use. ENERGY: 4145800 716.8045 2120.1882 1971.2927 112.8723 -206617.1068 17869.0486 0.0000 0.0000 34564.4573 -149262.4431 301.8600 -183826.9004 -149170.3728 298.9786 -43.8360 -11.4564 559455.2757 -7.1139 -7.1518 PRESSURE: 4146000 -48.4449 150.914 70.343 150.913 -113.076 98.5294 70.3432 98.5299 189.822 GPRESSURE: 4146000 -15.766 235.828 201.274 175.323 -59.111 79.7182 17.4054 104.804 197.686 PRESSAVG: 4146000 34.5916 36.4149 -26.6577 36.415 2.0813 -43.0784 -26.6576 -43.0783 -33.6132 GPRESSAVG: 4146000 35.4448 38.2675 -25.5958 34.1377 1.61989 -42.8995 -27.5161 -43.94 -34.1787 TIMING: 4146000 CPU: 12005.6, 0.00287415/step Wall: 12005.6, 0.00287415/step, 0.681813 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4146000 730.6480 2093.6855 1926.4170 121.3493 -206138.9547 17901.2503 0.0000 0.0000 34051.5187 -149314.0858 297.3804 -183365.6045 -149218.7322 299.3571 9.4337 40.9365 558511.1113 1.0199 0.9620 PRESSURE: 4146200 64.6776 40.1473 -57.8216 40.147 191.865 -108.43 -57.8228 -108.429 -109.196 GPRESSURE: 4146200 51.8642 98.0568 -133.385 24.5999 214.172 -95.1924 -35.7454 -113.48 -32.2687 PRESSAVG: 4146200 25.9531 70.8663 -7.95246 70.8664 23.0993 30.1956 -7.95242 30.1958 -41.075 GPRESSAVG: 4146200 26.8184 68.5691 -6.88355 72.7147 22.3087 33.1415 -7.64633 28.7736 -41.3668 TIMING: 4146200 CPU: 12006.2, 0.00288088/step Wall: 12006.2, 0.00288088/step, 0.683248 hours remaining, 210.148438 MB of memory in use. ENERGY: 4146200 740.9129 2194.5786 1931.9254 113.8796 -206055.3746 17712.9575 0.0000 0.0000 34214.3105 -149146.8103 298.8021 -183361.1207 -149048.3372 299.8745 49.1157 77.9225 555338.3184 2.6591 2.5867 PRESSURE: 4146400 -118.867 -119.513 196.21 -119.512 -194.141 100.26 196.212 100.259 83.1735 GPRESSURE: 4146400 -56.452 -39.5204 219.132 -186.792 -201.999 0.0755628 206.86 109.669 115.529 PRESSAVG: 4146400 36.5366 -38.0507 -3.31155 -38.0507 -15.5811 -8.69315 -3.3115 -8.69318 -6.69291 GPRESSAVG: 4146400 36.0579 -38.6735 -4.31693 -36.3611 -14.9199 -12.4963 -4.32438 -6.56633 -7.61353 TIMING: 4146400 CPU: 12006.7, 0.00286078/step Wall: 12006.7, 0.00286078/step, 0.678322 hours remaining, 210.148438 MB of memory in use. ENERGY: 4146400 757.7180 2152.1620 1926.9891 119.2850 -206022.1259 17584.0898 0.0000 0.0000 34486.1291 -148995.7529 301.1759 -183481.8821 -148896.9601 300.4744 -76.6115 -47.6407 555637.9198 4.7542 4.5082 PRESSURE: 4146600 141.077 48.03 -7.48717 48.0304 -144.99 2.0682 -7.48814 2.06888 -219.204 GPRESSURE: 4146600 170.874 -71.6582 -30.6865 147.599 -84.2041 -26.0372 -3.71243 16.4338 -197.445 PRESSAVG: 4146600 -7.22789 -49.0649 7.04744 -49.0649 53.094 39.4763 7.04743 39.4762 -1.65404 GPRESSAVG: 4146600 -8.55373 -47.5757 7.37175 -49.8583 53.5061 40.8267 8.05872 40.0891 -0.891361 TIMING: 4146600 CPU: 12007.3, 0.00287916/step Wall: 12007.3, 0.00287916/step, 0.68252 hours remaining, 210.148438 MB of memory in use. ENERGY: 4146600 720.1383 2114.1330 1933.8896 117.0911 -206275.0543 17804.6182 0.0000 0.0000 34450.3535 -149134.8308 300.8635 -183585.1842 -149036.7622 299.3562 -74.3722 -36.9248 557015.2608 14.7374 14.6870 PRESSURE: 4146800 -152.195 59.4011 -32.0171 59.4009 -196.386 -39.2209 -32.0165 -39.221 -236.313 GPRESSURE: 4146800 -124.745 34.1295 -62.1413 110.371 -150.026 -103.854 29.0469 1.44769 -216.172 PRESSAVG: 4146800 -22.6425 -41.7504 -38.9669 -41.7504 10.7487 -6.18647 -38.9669 -6.18648 -47.6605 GPRESSAVG: 4146800 -21.2518 -41.4819 -39.9913 -42.5768 11.7194 -5.34976 -38.3643 -6.93788 -49.513 TIMING: 4146800 CPU: 12007.9, 0.00288735/step Wall: 12007.9, 0.00288735/step, 0.684301 hours remaining, 210.148438 MB of memory in use. ENERGY: 4146800 735.2018 2178.6683 1942.6002 120.3517 -205811.8693 17482.4639 0.0000 0.0000 34286.0039 -149066.5795 299.4282 -183352.5834 -148970.5763 299.8037 -194.9648 -163.6474 557020.7791 -19.8514 -19.6818 PRESSURE: 4147000 -160.07 -42.9879 115.22 -42.9884 86.9062 147.198 115.219 147.2 241.16 GPRESSURE: 4147000 -164.155 -0.211817 65.4936 -54.7412 149.705 101.942 176.784 187.383 260.146 PRESSAVG: 4147000 -30.6492 -23.6405 49.1407 -23.6405 20.0171 9.35961 49.1406 9.35981 25.3443 GPRESSAVG: 4147000 -31.1782 -22.1906 51.2026 -25.8712 19.4276 8.21255 48.7767 9.15413 26.0917 TIMING: 4147000 CPU: 12008.5, 0.00287448/step Wall: 12008.5, 0.00287448/step, 0.681092 hours remaining, 210.148438 MB of memory in use. ENERGY: 4147000 684.7868 2151.6239 1949.2546 120.0120 -206262.0107 17804.2442 0.0000 0.0000 34443.6026 -149108.4866 300.8045 -183552.0892 -149004.1696 299.9276 55.9986 81.8986 555923.4521 4.9041 4.7804 PRESSURE: 4147200 -116.922 -22.1618 -44.8764 -22.1606 -67.6343 43.0724 -44.8768 43.0728 -366.586 GPRESSURE: 4147200 -40.1256 33.3668 -28.1277 -12.3702 -85.2104 16.9247 -65.8239 34.5235 -322.766 PRESSAVG: 4147200 14.0509 11.7888 3.0549 11.7889 -41.7359 15.5853 3.05475 15.5853 27.5771 GPRESSAVG: 4147200 14.7841 10.4833 0.767866 13.0532 -41.7957 15.8495 3.91566 14.926 26.4483 TIMING: 4147200 CPU: 12009, 0.00287694/step Wall: 12009, 0.00287694/step, 0.681515 hours remaining, 210.148438 MB of memory in use. ENERGY: 4147200 769.8174 2079.6956 1944.3112 112.6244 -206027.0106 17614.5389 0.0000 0.0000 34257.8567 -149248.1664 299.1824 -183506.0232 -149144.1113 299.1584 -183.7138 -149.3672 556314.9057 -0.0360 -0.1878 PRESSURE: 4147400 12.794 -92.4767 200.185 -92.477 294.934 107.861 200.185 107.86 247.422 GPRESSURE: 4147400 72.2154 -32.8145 188.199 -84.017 299.353 112.959 201.678 72.8738 294.811 PRESSAVG: 4147400 -23.6049 -45.1258 39.8869 -45.1258 24.2091 -6.70471 39.8868 -6.70472 29.7973 GPRESSAVG: 4147400 -23.463 -45.3229 41.1773 -43.3923 23.6845 -7.3451 38.6058 -6.27658 30.6118 TIMING: 4147400 CPU: 12009.6, 0.00287734/step Wall: 12009.6, 0.00287734/step, 0.68145 hours remaining, 210.148438 MB of memory in use. ENERGY: 4147400 681.9353 2107.7080 1947.2198 101.2489 -206708.1375 18085.2335 0.0000 0.0000 34567.6553 -149217.1367 301.8879 -183784.7920 -149123.3482 299.4878 185.0502 222.1263 555933.4420 10.1338 10.2777 PRESSURE: 4147600 -173.271 212.28 93.4979 212.28 73.0513 -165.45 93.4986 -165.449 67.2485 GPRESSURE: 4147600 -114.316 204.005 113.976 149.154 107.532 -160.363 17.3005 -130.71 74.4516 PRESSAVG: 4147600 -34.7454 14.0857 27.043 14.0857 12.9726 31.0045 27.0429 31.0044 4.84565 GPRESSAVG: 4147600 -36.4941 14.0934 23.5765 12.8668 13.4505 31.4561 28.3837 33.1737 5.38001 TIMING: 4147600 CPU: 12010.2, 0.00287494/step Wall: 12010.2, 0.00287494/step, 0.680723 hours remaining, 210.148438 MB of memory in use. ENERGY: 4147600 760.6523 2102.4627 1931.6522 113.9306 -206260.3577 17833.2248 0.0000 0.0000 34392.6702 -149125.7649 300.3597 -183518.4351 -149035.0928 300.3003 -10.9905 22.5557 557078.4595 -5.6424 -5.8879 PRESSURE: 4147800 31.5348 -17.3327 -6.66594 -17.333 -227.433 -7.55167 -6.6666 -7.55253 -94.2541 GPRESSURE: 4147800 58.4697 -44.3116 -34.7237 -6.64395 -146.553 -66.4037 28.1581 78.2093 -116.029 PRESSAVG: 4147800 41.2758 1.93719 9.85439 1.93715 -48.9802 14.1866 9.8544 14.1868 33.907 GPRESSAVG: 4147800 40.7828 2.5837 13.7585 2.40707 -49.3365 14.7146 10.2121 12.3368 34.6744 TIMING: 4147800 CPU: 12010.8, 0.00286657/step Wall: 12010.8, 0.00286657/step, 0.678581 hours remaining, 210.148438 MB of memory in use. ENERGY: 4147800 717.7225 2084.9205 1979.3080 110.9672 -206001.4080 17695.3608 0.0000 0.0000 34293.9787 -149119.1503 299.4978 -183413.1291 -149020.1568 299.4501 -96.7176 -68.0374 556697.9954 8.7342 8.7069 PRESSURE: 4148000 189.44 88.4726 -39.6557 88.4713 194.927 52.1076 -39.6564 52.1079 75.1374 GPRESSURE: 4148000 262.673 8.94156 -18.0175 158.506 175.637 73.1928 -35.6069 45.9127 123.766 PRESSAVG: 4148000 1.03341 35.0713 -56.2863 35.0712 -32.4685 -18.175 -56.2863 -18.175 73.7015 GPRESSAVG: 4148000 2.05574 33.3142 -58.3498 35.6165 -32.51 -19.4859 -55.8639 -16.6641 72.2462 TIMING: 4148000 CPU: 12011.3, 0.0028796/step Wall: 12011.3, 0.0028796/step, 0.681506 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4148000 719.1239 2113.9410 1962.0807 103.3181 -206148.9195 17883.4029 0.0000 0.0000 34311.2775 -149055.7753 299.6489 -183367.0528 -148955.0678 299.4541 153.1682 187.3585 555684.9228 14.0888 13.9306 PRESSURE: 4148200 -71.3208 -79.068 -110.724 -79.0684 -85.8067 -58.0389 -110.725 -58.0401 8.56538 GPRESSURE: 4148200 6.29569 -69.1646 -170.324 -96.2553 -119.613 -102.483 -50.3706 -8.56046 55.7945 PRESSAVG: 4148200 23.5079 25.2471 24.8601 25.2471 14.6623 16.4195 24.86 16.4195 -5.52244 GPRESSAVG: 4148200 22.241 25.2371 26.097 27.1627 13.8543 16.9211 24.9175 15.9049 -3.84736 TIMING: 4148200 CPU: 12011.9, 0.0028755/step Wall: 12011.9, 0.0028755/step, 0.680375 hours remaining, 210.148438 MB of memory in use. ENERGY: 4148200 743.9772 2057.7172 1946.1975 109.0046 -206402.5557 17797.8152 0.0000 0.0000 34431.1704 -149316.6735 300.6960 -183747.8440 -149222.1240 299.7825 -49.5207 -19.1743 557472.3333 10.8826 10.7493 LDB: ============= START OF LOAD BALANCING ============== 12015.3 LDB: ============== END OF LOAD BALANCING =============== 12015.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12015.3 LDB: ============= START OF LOAD BALANCING ============== 12015.6 LDB: Largest compute 4773 load 0.023736 is 20.1% of average load 0.118057 LDB: Average compute 0.001716 is 1.5% of average load 0.118057 LDB: TIME 12015.6 LOAD: AVG 0.118057 MAX 0.180137 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.148 MB LDB: TIME 12015.6 LOAD: AVG 0.118057 MAX 0.180137 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.148 MB LDB: TIME 12015.6 LOAD: AVG 0.118057 MAX 0.180137 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.148 MB LDB: ============== END OF LOAD BALANCING =============== 12015.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12015.6 PRESSURE: 4148400 164.292 -96.7832 189.053 -96.784 179.112 14.6719 189.054 14.6737 -72.4658 GPRESSURE: 4148400 144.792 -25.6423 194.783 -186.828 186.196 -45.0723 145.279 71.03 35.6727 PRESSAVG: 4148400 -25.9988 -41.5506 -35.0453 -41.5506 -11.3763 -22.1076 -35.0453 -22.1076 29.2939 GPRESSAVG: 4148400 -25.3999 -40.7444 -33.3514 -43.7104 -11.5074 -21.5903 -36.6885 -20.6886 28.5579 TIMING: 4148400 CPU: 12012.5, 0.00293491/step Wall: 12012.5, 0.00293491/step, 0.694268 hours remaining, 209.945312 MB of memory in use. ENERGY: 4148400 769.8638 2097.4124 1965.2490 108.6266 -206041.9484 17880.4600 0.0000 0.0000 34040.4240 -149179.9127 297.2835 -183220.3366 -149083.8793 299.0094 90.3128 122.2201 557710.7315 -2.6937 -2.7831 PRESSURE: 4148600 -24.6002 85.685 -42.3585 85.6847 47.5849 35.4281 -42.3583 35.4278 -203.137 GPRESSURE: 4148600 9.7041 22.0513 -47.1754 144.628 103.209 86.7473 64.2291 39.232 -185.106 PRESSAVG: 4148600 43.8186 39.8273 -15.1541 39.8274 -14.0972 74.5691 -15.1542 74.5692 -8.90105 GPRESSAVG: 4148600 43.0757 38.9591 -17.5712 39.8166 -14.0759 74.8509 -14.7728 73.0506 -8.26295 TIMING: 4148600 CPU: 12013.1, 0.00289018/step Wall: 12013.1, 0.00289018/step, 0.683528 hours remaining, 210.144531 MB of memory in use. ENERGY: 4148600 759.9577 2063.5689 1959.9654 105.5629 -206006.2287 17711.4844 0.0000 0.0000 34269.4550 -149136.2344 299.2837 -183405.6894 -149038.0637 299.4199 -60.0509 -24.0641 556339.4862 6.9401 6.9123 PRESSURE: 4148800 -19.8928 154.451 -299.057 154.451 -180.451 -26.5618 -299.057 -26.5594 165.975 GPRESSURE: 4148800 5.68563 123.851 -255.914 209.833 -87.6372 -40.7781 -242.363 -49.0009 139.847 PRESSAVG: 4148800 -4.34435 -9.16483 -43.6758 -9.16496 -52.1923 -70.3901 -43.6759 -70.3901 24.4703 GPRESSAVG: 4148800 -2.88348 -8.80439 -41.9403 -8.44468 -53.1011 -71.1115 -42.4087 -70.9766 23.7746 TIMING: 4148800 CPU: 12013.7, 0.00288423/step Wall: 12013.7, 0.00288423/step, 0.68196 hours remaining, 210.144531 MB of memory in use. ENERGY: 4148800 754.4461 2100.3565 1970.4450 123.5300 -205616.3444 17523.8568 0.0000 0.0000 34006.8025 -149136.9075 296.9899 -183143.7100 -149052.8299 299.1476 -11.4563 19.2986 558296.9076 -10.6888 -10.7366 PRESSURE: 4149000 -4.69729 -165.814 104.794 -165.814 -102.903 -114.573 104.796 -114.573 52.3728 GPRESSURE: 4149000 2.03564 -104.017 42.6136 -197.317 -20.2967 -73.7114 146.236 -194.492 70.3932 PRESSAVG: 4149000 97.7317 78.6262 -38.9396 78.6263 -2.46982 32.0815 -38.9396 32.0816 -100.861 GPRESSAVG: 4149000 96.8913 78.283 -39.8279 80.6866 -1.10944 32.3254 -39.2743 33.2383 -101.284 TIMING: 4149000 CPU: 12014.2, 0.00289267/step Wall: 12014.2, 0.00289267/step, 0.683796 hours remaining, 210.144531 MB of memory in use. ENERGY: 4149000 743.7581 2054.1728 1967.4045 124.6208 -206390.2915 17897.7907 0.0000 0.0000 34325.5238 -149277.0209 299.7733 -183602.5446 -149184.5223 299.4762 -18.4092 17.3774 558995.9085 -1.8664 -1.8340 PRESSURE: 4149200 -179.943 154.037 -42.1012 154.037 68.2407 162.438 -42.1001 162.437 -102.815 GPRESSURE: 4149200 -88.125 238.059 -56.6007 126.139 63.9132 95.007 -90.8694 213.851 -96.6698 PRESSAVG: 4149200 -22.0746 -1.04603 -15.9207 -1.04595 51.9528 8.24123 -15.9208 8.24122 -23.6563 GPRESSAVG: 4149200 -21.1955 0.372775 -13.7608 -4.09104 50.5819 7.15534 -16.0264 8.14621 -23.3256 TIMING: 4149200 CPU: 12014.8, 0.00289363/step Wall: 12014.8, 0.00289363/step, 0.68386 hours remaining, 210.144531 MB of memory in use. ENERGY: 4149200 752.1984 2126.5877 1959.5731 114.3371 -206121.1881 17698.4881 0.0000 0.0000 34320.5904 -149149.4134 299.7303 -183470.0038 -149049.0177 299.1404 -71.5056 -40.2938 558215.5972 2.0740 2.0203 PRESSURE: 4149400 112.718 -12.4639 13.2204 -12.4622 -183.892 37.9699 13.221 37.9722 -35.1712 GPRESSURE: 4149400 117.371 -61.7743 53.5464 -0.547547 -136.946 55.4154 -17.1464 49.2568 12.3941 PRESSAVG: 4149400 34.3093 -31.5373 -4.71231 -31.5374 -88.9039 14.8335 -4.71226 14.8335 53.644 GPRESSAVG: 4149400 33.1515 -30.9297 -5.20819 -30.0583 -87.8031 15.5392 -3.27425 14.6202 53.9006 TIMING: 4149400 CPU: 12015.4, 0.00288022/step Wall: 12015.4, 0.00288022/step, 0.680532 hours remaining, 210.347656 MB of memory in use. ENERGY: 4149400 765.1207 2106.6786 1931.3649 117.4013 -206043.1978 17738.4366 0.0000 0.0000 34207.1619 -149177.0337 298.7397 -183384.1956 -149080.3588 298.9085 -35.4481 -2.3939 558078.8003 -0.3169 -0.2503 PRESSURE: 4149600 -205.787 -4.541 -158.559 -4.54089 -198.476 -25.0549 -158.56 -25.0563 -158.136 GPRESSURE: 4149600 -201.953 24.8829 -124.602 65.3228 -153.384 -44.4341 -204.554 21.2832 -118.231 PRESSAVG: 4149600 43.588 -47.9948 7.48304 -47.9948 -40.1808 -5.58685 7.48306 -5.58697 -8.30891 GPRESSAVG: 4149600 43.5276 -47.8411 6.27255 -48.5384 -40.8572 -6.2874 6.14985 -6.54195 -7.96004 TIMING: 4149600 CPU: 12016, 0.00289043/step Wall: 12016, 0.00289044/step, 0.682785 hours remaining, 210.347656 MB of memory in use. ENERGY: 4149600 755.4733 2071.7555 1939.9717 126.9984 -205967.9900 17587.2876 0.0000 0.0000 34283.5908 -149202.9125 299.4071 -183486.5034 -149104.0191 299.2984 -187.4663 -157.8559 558220.8650 -1.6339 -1.7632 PRESSURE: 4149800 68.4214 -78.26 26.6751 -78.2594 -42.4528 79.9727 26.6743 79.9735 -227.698 GPRESSURE: 4149800 46.7103 -88.3735 -72.6713 -120.441 15.7407 79.7001 46.9529 88.5554 -157.92 PRESSAVG: 4149800 8.84101 32.0114 11.0768 32.0114 -58.623 1.21411 11.0767 1.21419 30.2688 GPRESSAVG: 4149800 9.19094 31.3149 11.3434 31.376 -58.3306 3.52985 11.091 1.97305 28.9465 TIMING: 4149800 CPU: 12016.6, 0.00288075/step Wall: 12016.6, 0.00288075/step, 0.680336 hours remaining, 210.347656 MB of memory in use. ENERGY: 4149800 731.4987 2049.6626 1969.8889 118.0402 -206165.6881 17591.9408 0.0000 0.0000 34297.9575 -149406.6994 299.5326 -183704.6569 -149307.7897 299.2454 -67.2433 -31.8231 556496.6321 -6.5044 -6.7311 PRESSURE: 4150000 121.292 -12.6783 5.41333 -12.6785 -61.2064 133.552 5.41311 133.554 -180.757 GPRESSURE: 4150000 127.935 -5.11179 -24.1169 2.46149 -21.7265 174.457 32.5006 80.0942 -121.528 PRESSAVG: 4150000 11.3013 -74.6973 47.7613 -74.6974 3.30892 36.8539 47.7613 36.8539 50.1149 GPRESSAVG: 4150000 10.1446 -76.0944 45.8944 -73.2558 2.76417 36.0209 47.5312 36.4848 51.7499 TIMING: 4150000 CPU: 12017.1, 0.00288467/step Wall: 12017.1, 0.00288467/step, 0.681104 hours remaining, 210.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4150000 724.4717 2064.4469 1927.5702 109.4067 -206152.1929 17830.9049 0.0000 0.0000 34172.0711 -149323.3214 298.4332 -183495.3925 -149227.0598 299.2112 -40.2236 -5.1068 558051.4970 21.5750 21.5529 PRESSURE: 4150200 -175.423 124.886 13.539 124.887 -17.0801 -108.801 13.5384 -108.801 -162.128 GPRESSURE: 4150200 -174.38 89.7475 -14.1186 163.212 20.2329 -101.254 99.6744 -32.2663 -105.821 PRESSAVG: 4150200 1.61926 44.4889 13.9378 44.4889 27.951 23.5636 13.9377 23.5634 -27.3973 GPRESSAVG: 4150200 2.42104 45.4096 15.1869 43.5647 27.8063 22.5102 13.2829 23.4692 -28.0454 TIMING: 4150200 CPU: 12017.7, 0.0028704/step Wall: 12017.7, 0.0028704/step, 0.677573 hours remaining, 210.347656 MB of memory in use. ENERGY: 4150200 753.5723 2051.7320 1959.6354 110.6304 -206147.5806 17866.2024 0.0000 0.0000 34178.5400 -149227.2681 298.4897 -183405.8081 -149125.8909 299.3974 -118.2102 -86.6559 558502.1043 0.7243 0.7273 PRESSURE: 4150400 -28.3849 114.196 -74.8287 114.196 183.72 18.4697 -74.8294 18.4688 -23.539 GPRESSURE: 4150400 -47.9569 102.36 -77.1796 144.795 272.983 80.9818 -105.41 -70.264 3.45437 PRESSAVG: 4150400 -41.8161 15.7363 -12.4833 15.7363 65.0499 -1.36845 -12.4834 -1.36842 1.6079 GPRESSAVG: 4150400 -41.555 17.9697 -13.6998 12.2375 66.0908 1.21804 -11.4971 -3.62492 0.726105 TIMING: 4150400 CPU: 12018.3, 0.002866/step Wall: 12018.3, 0.002866/step, 0.676375 hours remaining, 210.347656 MB of memory in use. ENERGY: 4150400 744.2534 2104.5654 1929.0290 121.9144 -206183.4299 17855.0309 0.0000 0.0000 34163.0636 -149265.5733 298.3545 -183428.6369 -149168.5342 299.3934 43.9319 76.1603 556882.9948 8.2806 8.4206 PRESSURE: 4150600 -14.5301 38.2725 49.1558 38.273 81.8152 196.346 49.1568 196.346 -295.05 GPRESSURE: 4150600 -12.9393 93.2386 22.1396 -28.4631 73.2002 266.199 2.83778 262.538 -186.434 PRESSAVG: 4150600 -37.1457 38.2671 -44.4404 38.2672 -16.1594 -38.3129 -44.4403 -38.3128 21.9772 GPRESSAVG: 4150600 -38.4125 37.1794 -46.1527 39.781 -15.9848 -41.6978 -44.0386 -34.2753 23.1719 TIMING: 4150600 CPU: 12018.8, 0.00286756/step Wall: 12018.8, 0.00286756/step, 0.676585 hours remaining, 210.347656 MB of memory in use. ENERGY: 4150600 741.6084 2087.1541 1940.3045 122.9965 -206381.9967 17752.3902 0.0000 0.0000 34552.0317 -149185.5111 301.7515 -183737.5428 -149081.2749 299.4521 -75.9217 -42.0578 557916.5281 -10.4427 -10.4085 PRESSURE: 4150800 -109.581 -46.3909 -244.92 -46.3907 -47.9333 -172.692 -244.921 -172.693 21.5251 GPRESSURE: 4150800 -89.0781 42.8022 -244.09 -72.09 -46.7607 -204.116 -138.149 -117.443 95.0167 PRESSAVG: 4150800 -85.689 28.1065 -7.32296 28.1065 11.9194 11.0655 -7.32286 11.0655 34.0947 GPRESSAVG: 4150800 -84.9964 26.2209 -5.34912 28.9985 11.0195 12.7183 -8.56469 9.62246 33.944 TIMING: 4150800 CPU: 12019.4, 0.00285791/step Wall: 12019.4, 0.00285791/step, 0.67415 hours remaining, 210.347656 MB of memory in use. ENERGY: 4150800 752.3806 2081.4541 1957.5190 113.2756 -206244.2459 17886.7900 0.0000 0.0000 34321.4868 -149131.3397 299.7381 -183452.8266 -149037.7565 299.5847 -45.3297 -13.6074 558511.2443 -13.2250 -13.3443 PRESSURE: 4151000 67.6222 -54.2805 63.4205 -54.2811 -26.2254 167.071 63.4212 167.071 -241.62 GPRESSURE: 4151000 91.2088 -27.9301 56.3583 -40.5287 2.55035 186.504 97.0121 163.39 -183.208 PRESSAVG: 4151000 -22.9626 50.2664 -10.403 50.2663 23.7213 38.5375 -10.403 38.5376 3.50792 GPRESSAVG: 4151000 -24.0298 50.3399 -11.0932 51.1462 25.2311 38.4313 -9.56099 37.7803 2.50959 TIMING: 4151000 CPU: 12020, 0.00287414/step Wall: 12020, 0.00287414/step, 0.677818 hours remaining, 210.347656 MB of memory in use. ENERGY: 4151000 776.2447 2065.8974 1969.8123 121.8755 -206059.2560 17878.3013 0.0000 0.0000 34227.7815 -149019.3432 298.9197 -183247.1247 -148927.5563 299.4041 -66.7412 -29.8162 559353.2158 1.4222 1.2370 PRESSURE: 4151200 -161.338 -141.087 -7.82022 -141.086 -278.552 155.72 -7.82076 155.719 -396.227 GPRESSURE: 4151200 -144.162 -115.225 49.6353 -130.796 -260.316 205.372 -7.23124 158.1 -342.673 PRESSAVG: 4151200 13.7461 41.6578 -24.5978 41.6577 -15.4388 33.2413 -24.5978 33.2413 37.8809 GPRESSAVG: 4151200 14.3143 41.5402 -22.4642 41.1994 -17.9277 32.106 -26.6289 35.0287 39.327 TIMING: 4151200 CPU: 12020.6, 0.00286784/step Wall: 12020.6, 0.00286784/step, 0.676173 hours remaining, 210.347656 MB of memory in use. ENERGY: 4151200 739.3600 2082.5922 1930.8726 124.3756 -205817.2617 17421.8721 0.0000 0.0000 34333.8916 -149184.2976 299.8464 -183518.1892 -149084.7010 299.3368 -278.7056 -249.0502 558733.2478 12.0627 11.9045 PRESSURE: 4151400 20.2388 -69.5255 -7.53682 -69.5268 -47.6966 18.6246 -7.53673 18.6267 -179.834 GPRESSURE: 4151400 61.9909 -61.7674 19.7146 -48.3096 -31.6141 -28.1607 10.1934 -2.92987 -125.467 PRESSAVG: 4151400 -3.21865 10.8126 -1.08088 10.8125 -9.54518 -4.55108 -1.08101 -4.55106 -27.5494 GPRESSAVG: 4151400 -3.1426 12.7458 -0.0886574 9.92277 -6.80503 -5.17279 -2.08689 -6.97055 -30.5419 TIMING: 4151400 CPU: 12021.1, 0.00287434/step Wall: 12021.1, 0.00287434/step, 0.677547 hours remaining, 210.347656 MB of memory in use. ENERGY: 4151400 783.4602 2061.2789 1962.0767 118.5542 -206117.2180 17633.2289 0.0000 0.0000 34459.3102 -149099.3090 300.9417 -183558.6191 -149004.3264 299.3662 -69.0974 -31.6966 556500.0462 -13.4377 -13.4965 PRESSURE: 4151600 -339.013 26.5907 -11.9534 26.5905 -1.11527 3.61351 -11.9541 3.61436 -16.8377 GPRESSURE: 4151600 -316.074 33.8203 -64.8671 71.6623 -0.175813 23.9219 34.6669 -67.819 61.0066 PRESSAVG: 4151600 -0.686637 12.1564 6.82836 12.1563 42.1992 0.842565 6.82826 0.842538 -15.0371 GPRESSAVG: 4151600 1.02607 10.6813 4.78382 11.2815 40.0691 2.67545 8.4577 2.87152 -15.2314 TIMING: 4151600 CPU: 12021.7, 0.00285782/step Wall: 12021.7, 0.00285782/step, 0.673492 hours remaining, 210.347656 MB of memory in use. ENERGY: 4151600 786.1533 2040.6296 1948.1785 116.6845 -205992.5834 17660.6729 0.0000 0.0000 34354.4024 -149085.8622 300.0255 -183440.2646 -148989.5366 299.1444 -118.9888 -85.0809 558022.6378 8.8251 8.6213 PRESSURE: 4151800 -217.583 -68.1874 -211.674 -68.1852 152.907 -222.331 -211.675 -222.331 -149.31 GPRESSURE: 4151800 -203.686 -120.199 -229.262 -79.1216 187.113 -186.498 -238.927 -205.801 -104.449 PRESSAVG: 4151800 -46.7257 -1.66519 -29.7167 -1.66513 28.8085 -27.7982 -29.7167 -27.7983 46.4361 GPRESSAVG: 4151800 -48.0853 -2.08838 -30.7617 0.277706 30.0266 -27.6152 -30.17 -29.4712 46.3124 TIMING: 4151800 CPU: 12022.3, 0.00286201/step Wall: 12022.3, 0.00286201/step, 0.674322 hours remaining, 210.347656 MB of memory in use. ENERGY: 4151800 738.6789 2113.5873 1952.4983 108.2285 -205970.0065 17768.9114 0.0000 0.0000 34161.7098 -149126.3923 298.3427 -183288.1021 -149031.4476 300.0457 -71.3290 -40.3405 557558.9073 9.5063 9.4179 PRESSURE: 4152000 25.1262 175.02 29.6493 175.018 18.6112 -24.3057 29.649 -24.3066 -52.6464 GPRESSURE: 4152000 69.3001 175.205 -33.7468 160.278 30.942 13.7252 77.4554 -44.9129 -26.2072 PRESSAVG: 4152000 -5.61465 21.6805 -21.0881 21.6804 18.0806 -17.3853 -21.088 -17.3854 -31.8407 GPRESSAVG: 4152000 -7.52672 20.1538 -20.9775 22.2148 18.9306 -17.9654 -20.4218 -17.354 -30.5914 TIMING: 4152000 CPU: 12022.9, 0.00288773/step Wall: 12022.9, 0.00288773/step, 0.680222 hours remaining, 210.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4152000 764.2304 2126.5760 1918.5037 115.2580 -206461.4286 17958.7551 0.0000 0.0000 34382.6624 -149195.4429 300.2723 -183578.1054 -149098.4718 299.2241 -2.9697 24.6783 558318.0404 -6.4583 -6.3959 PRESSURE: 4152200 82.6758 -107.9 23.7426 -107.898 249.666 56.2005 23.7429 56.2018 -256.208 GPRESSURE: 4152200 120.192 -145.055 4.44632 -112.372 251.405 139.234 2.24618 14.9763 -206.467 PRESSAVG: 4152200 -12.2364 -29.0897 -34.0897 -29.0898 16.8879 -14.4955 -34.0897 -14.4956 -28.6421 GPRESSAVG: 4152200 -10.6398 -27.7866 -33.8514 -30.1993 16.8086 -14.9078 -34.8069 -13.46 -29.6492 TIMING: 4152200 CPU: 12023.4, 0.00286342/step Wall: 12023.4, 0.00286342/step, 0.674336 hours remaining, 210.347656 MB of memory in use. ENERGY: 4152200 774.4589 2067.4391 1933.0855 99.2473 -206294.2317 18013.9338 0.0000 0.0000 34287.5665 -149118.5007 299.4418 -183406.0671 -149020.7731 299.5253 25.3780 55.0434 558392.8075 -7.9969 -7.8268 LDB: ============= START OF LOAD BALANCING ============== 12026.8 LDB: ============== END OF LOAD BALANCING =============== 12026.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12026.8 LDB: ============= START OF LOAD BALANCING ============== 12027.1 LDB: Largest compute 4773 load 0.024737 is 21.0% of average load 0.118072 LDB: Average compute 0.001734 is 1.5% of average load 0.118072 LDB: TIME 12027.1 LOAD: AVG 0.118072 MAX 0.178643 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.203 MB LDB: TIME 12027.1 LOAD: AVG 0.118072 MAX 0.178643 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.406 MB LDB: TIME 12027.1 LOAD: AVG 0.118072 MAX 0.178643 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12027.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12027.1 PRESSURE: 4152400 -212.706 62.5899 207.879 62.5886 -27.663 -72.3465 207.88 -72.3469 -212.734 GPRESSURE: 4152400 -173.777 93.7718 239.081 39.2114 -33.2995 -83.4419 172.119 -54.9264 -147.677 PRESSAVG: 4152400 -20.4859 -28.1979 43.7074 -28.198 14.7346 -22.5908 43.7074 -22.5907 39.0926 GPRESSAVG: 4152400 -20.0502 -28.5813 43.5413 -28.4145 14.118 -21.2304 44.4201 -22.7133 39.79 TIMING: 4152400 CPU: 12024, 0.00294338/step Wall: 12024, 0.00294338/step, 0.693003 hours remaining, 212.718750 MB of memory in use. ENERGY: 4152400 725.6275 2061.0958 1954.8036 119.2766 -206178.6347 17758.1540 0.0000 0.0000 34441.1673 -149118.5098 300.7833 -183559.6771 -149020.2652 299.1149 -151.0343 -118.2511 560012.6162 11.1138 11.2859 PRESSURE: 4152600 -167.064 72.3862 -106.713 72.3871 -101.308 76.3546 -106.713 76.3519 -38.4433 GPRESSURE: 4152600 -145.582 54.6951 -140.52 157.247 -57.1024 84.5485 -192.608 43.3566 5.32034 PRESSAVG: 4152600 -14.45 -32.3086 -19.6615 -32.3086 35.7852 -15.53 -19.6615 -15.5301 -24.7612 GPRESSAVG: 4152600 -14.2957 -32.8207 -16.7832 -30.9937 35.8525 -15.6916 -20.2747 -15.0805 -25.1253 TIMING: 4152600 CPU: 12024.6, 0.0028586/step Wall: 12024.6, 0.0028586/step, 0.672882 hours remaining, 212.789062 MB of memory in use. ENERGY: 4152600 730.6543 2049.2687 1952.6091 109.4312 -205937.9544 17635.9417 0.0000 0.0000 34467.3874 -148992.6621 301.0123 -183460.0494 -148899.7116 299.3063 -102.2718 -65.7880 558089.9552 -1.1420 -1.1895 PRESSURE: 4152800 -302.373 5.24729 -142.226 5.24465 -143.089 -41.9279 -142.225 -41.9256 -31.9536 GPRESSURE: 4152800 -289.896 61.9079 -136.644 -55.91 -71.0936 -53.9893 -118.705 -56.3452 -4.30538 PRESSAVG: 4152800 8.11806 -12.078 -3.26775 -12.078 -15.9979 10.6081 -3.26774 10.6079 13.4061 GPRESSAVG: 4152800 7.6463 -10.1405 -4.73286 -12.5196 -15.6914 10.8988 -2.15718 8.77562 13.5801 TIMING: 4152800 CPU: 12025.2, 0.0028708/step Wall: 12025.2, 0.0028708/step, 0.675594 hours remaining, 212.789062 MB of memory in use. ENERGY: 4152800 753.1356 2072.9358 1976.1833 108.8764 -206103.4954 17858.3215 0.0000 0.0000 34304.2781 -149029.7647 299.5878 -183334.0428 -148925.5848 299.9721 -159.1386 -121.7650 558802.0807 1.8421 1.8450 PRESSURE: 4153000 90.9037 78.3523 1.7241 78.3522 -242.852 57.8126 1.72461 57.8124 -77.9691 GPRESSURE: 4153000 158.524 -43.9398 69.5233 139.903 -221.048 59.2661 -6.15049 48.6146 -60.5845 PRESSAVG: 4153000 -72.9122 -4.56823 19.8401 -4.56816 -8.53676 34.5636 19.8401 34.5637 46.0095 GPRESSAVG: 4153000 -72.2168 -4.49834 19.5141 -3.847 -8.55793 34.0654 19.0602 36.4766 45.7667 TIMING: 4153000 CPU: 12025.7, 0.00288286/step Wall: 12025.7, 0.00288286/step, 0.678273 hours remaining, 212.789062 MB of memory in use. ENERGY: 4153000 737.5692 2103.7800 1931.4266 117.1233 -206218.9650 17795.9702 0.0000 0.0000 34386.4028 -149146.6930 300.3050 -183533.0958 -149055.7042 299.3866 -76.6390 -41.0364 558470.7193 -11.8131 -11.6694 PRESSURE: 4153200 -120.725 -3.08702 30.148 -3.087 67.5907 82.1722 30.149 82.172 -238.959 GPRESSURE: 4153200 -145.537 -57.313 -34.4053 75.9498 95.7747 166.341 84.9695 14.8091 -133.836 PRESSAVG: 4153200 -0.17773 -30.5802 7.5267 -30.5803 57.2792 -0.948278 7.5266 -0.948273 -34.5933 GPRESSAVG: 4153200 -0.802055 -30.1999 6.98671 -32.7755 57.6346 0.884455 8.15187 -2.90435 -34.2947 TIMING: 4153200 CPU: 12026.3, 0.00287444/step Wall: 12026.3, 0.00287444/step, 0.676133 hours remaining, 212.789062 MB of memory in use. ENERGY: 4153200 721.7225 2059.0614 1938.9981 101.4927 -206090.3423 17816.6335 0.0000 0.0000 34468.4414 -148983.9928 301.0215 -183452.4341 -148891.8982 299.7070 -97.3645 -61.1994 559599.3083 7.5027 7.5126 PRESSURE: 4153400 182.559 -32.506 85.1125 -32.5071 -178.461 143.826 85.1125 143.826 319.738 GPRESSURE: 4153400 147.349 -166.62 51.2749 -54.0221 -144.57 95.625 51.3608 113.072 410.774 PRESSAVG: 4153400 -54.2094 -8.41675 11.8652 -8.41682 -7.48154 4.25624 11.8653 4.2562 43.6034 GPRESSAVG: 4153400 -54.7638 -9.30167 12.6353 -8.57432 -7.18168 1.41722 11.7108 8.38094 44.0206 TIMING: 4153400 CPU: 12026.9, 0.00287372/step Wall: 12026.9, 0.00287372/step, 0.675803 hours remaining, 213.046875 MB of memory in use. ENERGY: 4153400 748.6563 2018.6906 1949.1233 100.8172 -206304.6787 18049.4172 0.0000 0.0000 34177.1147 -149260.8593 298.4772 -183437.9740 -149166.9942 298.8327 107.9454 137.8510 557601.2129 -6.0292 -5.9750 PRESSURE: 4153600 -110.582 -118.228 115.026 -118.23 -206.63 -107.402 115.027 -107.403 -171.492 GPRESSURE: 4153600 -48.5535 -27.8541 127.709 -117.78 -182.166 -95.1601 61.4827 -127.299 -166.506 PRESSAVG: 4153600 19.287 -0.183156 33.7063 -0.183188 -36.2135 10.0056 33.7064 10.0056 26.7773 GPRESSAVG: 4153600 20.2735 0.707006 34.4797 1.34029 -37.6369 9.9998 34.112 8.12552 27.9833 TIMING: 4153600 CPU: 12027.5, 0.00287394/step Wall: 12027.5, 0.00287394/step, 0.675694 hours remaining, 213.046875 MB of memory in use. ENERGY: 4153600 750.1898 2017.9946 1937.3112 117.0312 -206122.7414 17768.8031 0.0000 0.0000 34140.6164 -149390.7950 298.1585 -183531.4114 -149290.3456 298.2908 -162.9017 -132.4083 558322.4509 3.2836 3.5400 PRESSURE: 4153800 145.303 139.333 -63.0284 139.334 57.5871 65.6384 -63.0285 65.6397 98.1128 GPRESSURE: 4153800 168.904 36.605 -19.7856 126.828 113.546 -30.7154 -37.9048 139.469 109.85 PRESSAVG: 4153800 -14.895 -40.6389 -30.1289 -40.6389 -3.75326 -2.68638 -30.129 -2.68646 45.5209 GPRESSAVG: 4153800 -15.0549 -41.7997 -31.7194 -41.4054 -2.64314 -0.328353 -29.9058 -3.17586 43.7918 TIMING: 4153800 CPU: 12028, 0.00287925/step Wall: 12028, 0.00287925/step, 0.676783 hours remaining, 213.046875 MB of memory in use. ENERGY: 4153800 721.3492 2132.0836 1944.6592 109.7992 -206734.9189 18171.8206 0.0000 0.0000 34255.0446 -149400.1625 299.1578 -183655.2071 -149306.6354 298.7832 100.3343 130.7665 558920.7634 8.9575 8.6979 PRESSURE: 4154000 83.8337 -135.587 -2.10776 -135.587 250.631 76.3594 -2.10775 76.3596 178.791 GPRESSURE: 4154000 80.6633 -135.458 6.95752 -72.3892 261.157 54.4806 -40.0015 150.499 277.166 PRESSAVG: 4154000 -44.1533 -19.9407 8.44335 -19.9406 51.0257 68.4081 8.44337 68.4081 12.3684 GPRESSAVG: 4154000 -43.2162 -20.4227 9.57406 -17.8111 49.637 66.0821 7.55163 68.6523 13.0794 TIMING: 4154000 CPU: 12028.6, 0.0028634/step Wall: 12028.6, 0.0028634/step, 0.672899 hours remaining, 213.046875 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: 4154000 724.6698 2094.5548 1962.5074 125.9178 -206303.4089 18088.8887 0.0000 0.0000 34090.8391 -149216.0314 297.7238 -183306.8705 -149124.5472 299.3747 171.0851 206.3286 558006.5722 6.4136 6.5000 PRESSURE: 4154200 -227.548 125.051 188.201 125.051 -66.1479 -107.861 188.201 -107.86 -22.3373 GPRESSURE: 4154200 -232.873 158.078 167.762 74.0661 57.1261 -117.322 255.736 -100.743 -41.5526 PRESSAVG: 4154200 -72.4251 11.3636 8.21015 11.3636 -1.19034 28.1361 8.21012 28.136 35.5562 GPRESSAVG: 4154200 -72.1651 12.5439 8.05593 10.505 -1.22113 29.4544 9.61577 26.8815 35.2623 TIMING: 4154200 CPU: 12029.2, 0.00286638/step Wall: 12029.2, 0.00286638/step, 0.67344 hours remaining, 213.046875 MB of memory in use. ENERGY: 4154200 755.1868 2098.2776 1950.0289 112.6532 -206156.6892 17711.5622 0.0000 0.0000 34341.0147 -149187.9658 299.9086 -183528.9805 -149094.5291 299.4475 -105.3446 -72.4332 557781.6404 -12.6864 -12.7080 PRESSURE: 4154400 257.243 106.428 -12.3694 106.429 -45.4093 57.6729 -12.3701 57.672 -141.829 GPRESSURE: 4154400 352.457 125.421 -14.5847 30.2793 -96.8567 121.725 -50.8373 79.4232 -84.873 PRESSAVG: 4154400 19.8425 45.9247 -34.4075 45.9247 5.18088 63.5456 -34.4076 63.5455 -3.71179 GPRESSAVG: 4154400 18.1575 46.178 -34.5279 45.808 7.22945 62.1734 -36.331 65.3034 -3.48769 TIMING: 4154400 CPU: 12029.8, 0.00286972/step Wall: 12029.8, 0.00286972/step, 0.674066 hours remaining, 213.250000 MB of memory in use. ENERGY: 4154400 775.1373 2068.1938 1956.6963 115.7932 -206346.0617 17989.8624 0.0000 0.0000 34295.2402 -149145.1385 299.5089 -183440.3787 -149046.5268 299.9232 23.3349 56.9090 556420.9793 7.1039 7.2997 PRESSURE: 4154600 183.483 -27.9213 -77.4657 -27.9214 129.458 28.7563 -77.4656 28.7548 44.4155 GPRESSURE: 4154600 174.369 -119.912 -67.4939 -41.6002 192.627 148.214 -40.4 59.671 85.9038 PRESSAVG: 4154600 50.9934 10.3268 -20.2059 10.3269 -45.3991 -2.3856 -20.206 -2.38558 -14.9084 GPRESSAVG: 4154600 52.3753 7.8917 -21.2468 11.4081 -45.1714 -1.07864 -20.4629 -2.34986 -16.6414 TIMING: 4154600 CPU: 12030.3, 0.00286979/step Wall: 12030.3, 0.00286979/step, 0.673923 hours remaining, 213.250000 MB of memory in use. ENERGY: 4154600 741.5300 2059.8528 1944.5353 107.8679 -206480.8126 18052.7472 0.0000 0.0000 34370.9303 -149203.3490 300.1699 -183574.2793 -149104.9752 299.4223 119.1189 150.9665 556428.0909 -3.1047 -3.1458 PRESSURE: 4154800 30.811 210.855 74.3299 210.857 -140.201 -84.1583 74.3293 -84.1582 68.2535 GPRESSURE: 4154800 57.769 104.329 143.495 195.762 -98.4477 -83.5362 79.2063 -102.875 108.914 PRESSAVG: 4154800 18.7763 -9.04133 -55.1375 -9.04142 52.8047 -34.8279 -55.1375 -34.8279 -10.3617 GPRESSAVG: 4154800 18.0441 -8.8694 -54.6097 -9.08855 52.3745 -36.2545 -54.2976 -35.0292 -8.82772 TIMING: 4154800 CPU: 12030.9, 0.00288523/step Wall: 12030.9, 0.00288523/step, 0.677388 hours remaining, 213.250000 MB of memory in use. ENERGY: 4154800 780.9257 2063.4945 1953.9979 115.9322 -206223.0834 17752.0965 0.0000 0.0000 34336.3038 -149220.3328 299.8675 -183556.6366 -149127.4445 298.9326 -13.7123 22.7450 555843.5069 20.4064 20.5303 PRESSURE: 4155000 -110.153 -223.955 10.876 -223.956 -170.963 60.6719 10.8758 60.6725 -100.789 GPRESSURE: 4155000 -125.625 -181.499 -6.09394 -238.727 -98.7404 47.9037 10.1477 24.0398 -63.0272 PRESSAVG: 4155000 51.7895 52.4435 -31.7275 52.4436 0.890272 32.2821 -31.7276 32.282 -22.5831 GPRESSAVG: 4155000 51.3831 51.8741 -31.8925 52.4345 1.26429 35.252 -30.8245 31.8012 -22.7331 TIMING: 4155000 CPU: 12031.5, 0.00287009/step Wall: 12031.5, 0.00287009/step, 0.673673 hours remaining, 213.250000 MB of memory in use. ENERGY: 4155000 745.3048 2093.3713 1938.7269 113.3055 -206019.7616 17637.3173 0.0000 0.0000 34283.1468 -149208.5890 299.4032 -183491.7358 -149111.3909 299.2334 -127.3020 -95.7975 557526.7234 10.0322 9.9714 PRESSURE: 4155200 114.784 -86.8604 5.36106 -86.861 -239.591 4.51019 5.36128 4.51012 -149.968 GPRESSURE: 4155200 180.977 -130.584 -3.96858 -66.4431 -208.452 58.8244 46.1728 -107.921 -146.879 PRESSAVG: 4155200 18.5155 -58.7076 0.129351 -58.7075 -3.87096 -0.926633 0.129221 -0.926455 -8.32312 GPRESSAVG: 4155200 20.0891 -57.5854 0.56204 -61.2518 -5.58681 -1.49261 -1.48921 -1.11786 -8.06408 TIMING: 4155200 CPU: 12032.1, 0.00285508/step Wall: 12032.1, 0.00285508/step, 0.669992 hours remaining, 213.250000 MB of memory in use. ENERGY: 4155200 740.4784 2066.2571 1966.2339 115.1169 -205987.5384 17583.4590 0.0000 0.0000 34484.6370 -149031.3562 301.1629 -183515.9932 -148931.9097 300.4296 -91.5915 -58.1177 556537.2707 2.1071 2.1461 PRESSURE: 4155400 -36.6379 -8.27434 -31.8763 -8.2748 170.154 -66.4028 -31.8769 -66.4033 88.1171 GPRESSURE: 4155400 -41.8554 18.7608 3.17863 -18.592 240.424 -20.2627 -23.0497 -85.7467 122.119 PRESSAVG: 4155400 3.90574 -68.9618 33.3563 -68.9618 18.7174 -7.32292 33.3564 -7.32292 11.3278 GPRESSAVG: 4155400 2.8513 -69.5205 33.4116 -67.4887 19.2587 -9.15569 33.6086 -6.39737 11.2478 TIMING: 4155400 CPU: 12032.6, 0.00285838/step Wall: 12032.6, 0.00285838/step, 0.670609 hours remaining, 213.250000 MB of memory in use. ENERGY: 4155400 766.0819 2043.2763 1950.6386 125.0798 -206248.2935 17892.1262 0.0000 0.0000 34397.0927 -149073.9980 300.3984 -183471.0907 -148974.7732 300.0136 73.8778 106.8958 557136.4630 11.3170 11.1193 PRESSURE: 4155600 -136.393 282.101 34.6134 282.102 -309.743 76.2412 34.6126 76.2406 151.242 GPRESSURE: 4155600 -129.053 270.781 48.5596 176.924 -245.849 13.405 93.2777 44.4618 170.001 PRESSAVG: 4155600 -133.295 -3.44204 -73.3087 -3.44202 58.6198 -11.0963 -73.3086 -11.0962 66.3467 GPRESSAVG: 4155600 -132.885 -2.27793 -73.7745 -5.51394 59.7704 -11.6831 -71.6585 -11.4125 64.9704 TIMING: 4155600 CPU: 12033.2, 0.00288468/step Wall: 12033.2, 0.00288468/step, 0.676618 hours remaining, 213.250000 MB of memory in use. ENERGY: 4155600 747.9773 2080.9367 1956.9802 115.9908 -205824.2742 17702.7056 0.0000 0.0000 34236.1114 -148983.5721 298.9925 -183219.6835 -148892.9526 299.7072 -98.2982 -68.3004 557812.3250 -2.7761 -2.7146 PRESSURE: 4155800 146.581 -26.8436 -142.153 -26.8445 -36.573 100.413 -142.154 100.412 -265.508 GPRESSURE: 4155800 173.164 -43.8046 -68.215 -74.1493 -61.6304 59.5984 -134.342 177.628 -173.125 PRESSAVG: 4155800 10.8148 -12.4282 -0.77613 -12.4281 -4.35112 -10.0148 -0.776066 -10.0147 -6.69517 GPRESSAVG: 4155800 9.32682 -12.9327 -1.28496 -10.6404 -4.48894 -10.002 -1.34392 -12.0241 -4.98033 TIMING: 4155800 CPU: 12033.8, 0.00287317/step Wall: 12033.8, 0.00287317/step, 0.673758 hours remaining, 213.250000 MB of memory in use. ENERGY: 4155800 733.7347 2090.5924 1954.2480 113.9372 -206059.0416 17800.9224 0.0000 0.0000 34404.2828 -148961.3240 300.4612 -183365.6069 -148859.9715 299.6287 -51.8331 -20.5307 557802.6497 -0.0772 -0.0475 PRESSURE: 4156000 39.4667 -4.94948 -62.1802 -4.94951 -16.4759 -19.6309 -62.18 -19.6308 33.8244 GPRESSURE: 4156000 56.2681 -54.2498 -68.0645 36.0158 -1.99075 -58.9644 -47.7208 18.6188 86.1522 PRESSAVG: 4156000 63.1347 46.7031 -41.0187 46.703 -59.5194 -35.6192 -41.0187 -35.6193 51.0174 GPRESSAVG: 4156000 65.0724 46.3253 -42.1264 47.5658 -60.2941 -35.1504 -41.7079 -34.7422 49.6087 TIMING: 4156000 CPU: 12034.4, 0.00287741/step Wall: 12034.4, 0.00287741/step, 0.674594 hours remaining, 213.250000 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: 4156000 790.6145 1994.8222 1949.1405 122.3944 -206518.3703 17944.6233 0.0000 0.0000 34519.4342 -149197.3410 301.4668 -183716.7752 -149097.9393 299.6413 18.9384 46.8099 557722.2471 18.2109 18.1290 PRESSURE: 4156200 46.9907 112.079 198.708 112.079 -325.449 -44.7271 198.708 -44.7268 -97.9095 GPRESSURE: 4156200 75.6099 70.1978 170.836 43.4337 -275.234 -8.39404 227.883 -25.4753 -87.6201 PRESSAVG: 4156200 34.7418 4.80789 26.0417 4.80793 -38.8339 17.7693 26.0417 17.7692 -6.39705 GPRESSAVG: 4156200 32.7028 4.75984 29.0992 2.78059 -37.8814 19.2251 25.0282 16.6249 -5.36774 TIMING: 4156200 CPU: 12034.9, 0.00285999/step Wall: 12034.9, 0.00285999/step, 0.670349 hours remaining, 213.250000 MB of memory in use. ENERGY: 4156200 714.8381 2090.0767 1945.5152 103.8093 -205835.1277 17627.0799 0.0000 0.0000 34383.2558 -148970.5527 300.2775 -183353.8086 -148872.2772 299.5324 -125.4561 -95.7482 559030.4310 -3.4964 -3.5154 LDB: ============= START OF LOAD BALANCING ============== 12038.3 LDB: ============== END OF LOAD BALANCING =============== 12038.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12038.3 LDB: ============= START OF LOAD BALANCING ============== 12038.6 LDB: Largest compute 4773 load 0.024671 is 20.9% of average load 0.118039 LDB: Average compute 0.001733 is 1.5% of average load 0.118039 LDB: TIME 12038.6 LOAD: AVG 0.118039 MAX 0.178312 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.949 MB LDB: TIME 12038.6 LOAD: AVG 0.118039 MAX 0.178312 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.949 MB LDB: TIME 12038.6 LOAD: AVG 0.118039 MAX 0.178312 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12038.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12038.6 PRESSURE: 4156400 7.0227 -106.788 152.094 -106.789 -170.663 -32.8934 152.093 -32.8927 15.6164 GPRESSURE: 4156400 74.8805 -109.021 151.252 -29.8973 -177.336 27.949 190.335 11.9279 51.4113 PRESSAVG: 4156400 87.4857 -28.6522 24.6875 -28.6523 -91.1422 43.2462 24.6875 43.2463 7.85177 GPRESSAVG: 4156400 88.5237 -27.8799 22.7805 -27.7398 -92.6499 42.2458 25.902 44.2834 7.94481 TIMING: 4156400 CPU: 12035.5, 0.00293693/step Wall: 12035.5, 0.00293693/step, 0.68822 hours remaining, 210.710938 MB of memory in use. ENERGY: 4156400 753.0333 2077.5226 1956.1371 118.2320 -206224.1425 17871.1099 0.0000 0.0000 34505.8483 -148942.2593 301.3482 -183448.1076 -148847.2591 299.9736 -49.3413 -17.0149 559012.9759 1.3984 1.2729 PRESSURE: 4156600 -175.586 -47.3445 -17.7476 -47.3442 -178.079 -112.122 -17.7481 -112.122 -151.016 GPRESSURE: 4156600 -147.06 -38.9674 -65.1762 -95.0269 -108.821 -68.9139 -62.546 -121.883 -157.181 PRESSAVG: 4156600 64.725 -20.9555 -27.3381 -20.9556 -79.9625 -9.62164 -27.3382 -9.62153 27.8374 GPRESSAVG: 4156600 64.9617 -21.1484 -25.3551 -20.6156 -80.9791 -9.73409 -28.4964 -7.64286 28.5922 TIMING: 4156600 CPU: 12036.1, 0.00286155/step Wall: 12036.1, 0.00286155/step, 0.670397 hours remaining, 210.914062 MB of memory in use. ENERGY: 4156600 777.9933 2077.0414 1963.2487 114.2312 -205890.7051 17745.0640 0.0000 0.0000 34296.2487 -148916.8778 299.5177 -183213.1265 -148819.3321 299.8455 -168.2270 -137.6872 559572.5597 4.2000 4.1916 PRESSURE: 4156800 19.0491 1.35427 69.0505 1.35445 77.3374 26.6703 69.0497 26.6708 18.1296 GPRESSURE: 4156800 38.4118 -46.1061 0.644075 -23.9058 163.774 67.137 -16.1943 32.8904 -9.49697 PRESSAVG: 4156800 -12.5593 -7.20976 4.79236 -7.20978 17.483 -28.9461 4.79233 -28.9461 -28.9191 GPRESSAVG: 4156800 -12.6575 -6.11837 3.25845 -8.00224 17.9188 -28.3467 4.43808 -32.2835 -29.4061 TIMING: 4156800 CPU: 12036.7, 0.00288655/step Wall: 12036.7, 0.00288655/step, 0.676095 hours remaining, 210.914062 MB of memory in use. ENERGY: 4156800 764.6049 2063.3703 1982.5664 113.4197 -205698.2613 17735.8356 0.0000 0.0000 34246.4354 -148792.0290 299.0826 -183038.4644 -148698.9277 299.8076 38.1720 64.2297 557863.7337 -7.9985 -8.0483 PRESSURE: 4157000 103.481 182.912 -139.567 182.914 -53.9987 76.1811 -139.567 76.1799 -58.9642 GPRESSURE: 4157000 99.2109 107.936 -102.86 203.584 2.9031 -22.842 -121.541 128.011 -12.7217 PRESSAVG: 4157000 -68.9549 -22.7141 26.4841 -22.7141 4.89413 5.07848 26.4841 5.07842 54.829 GPRESSAVG: 4157000 -68.7274 -23.6963 28.1913 -20.5339 4.19906 4.90933 24.8537 7.55107 54.7828 TIMING: 4157000 CPU: 12037.3, 0.00289712/step Wall: 12037.3, 0.00289712/step, 0.678409 hours remaining, 210.914062 MB of memory in use. ENERGY: 4157000 716.8729 2097.7961 1960.6671 104.2712 -205853.5764 17700.8629 0.0000 0.0000 34534.4175 -148738.6887 301.5977 -183273.1062 -148643.4749 299.7068 -3.1605 29.7974 559553.7767 -3.0773 -3.2485 PRESSURE: 4157200 213.755 54.0431 3.84876 54.0428 -3.78725 -83.5925 3.84826 -83.5926 28.1592 GPRESSURE: 4157200 283.888 131.844 69.4975 -1.30104 70.1034 -72.1549 -47.8112 -146.995 -7.76195 PRESSAVG: 4157200 -2.55076 39.22 -52.6172 39.22 -21.0002 29.8405 -52.6173 29.8405 -25.2024 GPRESSAVG: 4157200 -1.11199 40.9854 -54.406 38.7 -20.2499 29.2241 -52.4297 28.2279 -26.847 TIMING: 4157200 CPU: 12037.8, 0.00289606/step Wall: 12037.8, 0.00289606/step, 0.678001 hours remaining, 210.914062 MB of memory in use. ENERGY: 4157200 771.0225 2075.9436 1940.9728 120.1340 -206201.0006 18055.6696 0.0000 0.0000 34548.6945 -148688.5636 301.7223 -183237.2581 -148591.1814 300.5369 79.3757 115.4099 557677.2896 -16.2511 -16.0696 PRESSURE: 4157400 311.138 -94.1174 -57.6158 -94.1186 181.752 -35.9617 -57.6156 -35.9607 67.9756 GPRESSURE: 4157400 384.247 -117.231 -15.9021 -35.1707 218.359 -6.57926 -43.719 -58.0253 59.8125 PRESSAVG: 4157400 -13.0449 -10.8549 10.7712 -10.855 27.4103 -65.414 10.7712 -65.414 23.5662 GPRESSAVG: 4157400 -14.7293 -12.3309 12.595 -13.0981 26.8598 -66.2118 13.0346 -64.9651 25.3486 TIMING: 4157400 CPU: 12038.4, 0.00288414/step Wall: 12038.4, 0.00288414/step, 0.67505 hours remaining, 210.914062 MB of memory in use. ENERGY: 4157400 760.4241 2083.1544 1934.3814 112.5814 -205936.3540 17962.4268 0.0000 0.0000 34448.7328 -148634.6532 300.8494 -183083.3859 -148534.3604 300.4209 186.9555 220.8061 556919.2583 12.6439 12.4930 PRESSURE: 4157600 40.8646 96.2673 94.6157 96.2663 -166.351 105.508 94.6158 105.508 -88.5787 GPRESSURE: 4157600 78.7273 -4.3662 31.5748 206.415 -137.841 73.2248 58.3593 118.303 -66.5847 PRESSAVG: 4157600 -30.3244 -39.4281 1.6709 -39.4281 6.05519 -30.1834 1.67092 -30.1834 47.6834 GPRESSAVG: 4157600 -30.338 -40.5845 1.2192 -36.2113 6.86026 -29.8822 -0.0528222 -29.3771 46.2749 TIMING: 4157600 CPU: 12039, 0.00288905/step Wall: 12039, 0.00288905/step, 0.676038 hours remaining, 210.914062 MB of memory in use. ENERGY: 4157600 750.8648 2106.6703 1933.6875 106.0352 -205622.2738 17614.4083 0.0000 0.0000 34289.8780 -148820.7297 299.4620 -183110.6077 -148721.6799 299.6422 -71.3552 -41.8996 557747.5197 7.8047 7.5990 PRESSURE: 4157800 100.859 -110.723 -176.557 -110.722 258.157 181.218 -176.558 181.216 -76.8346 GPRESSURE: 4157800 199.331 -145.937 -160.677 -120.297 225.93 142.112 -126.02 124.475 -47.3653 PRESSAVG: 4157800 -32.9361 -7.13655 -12.5246 -7.13665 42.9124 64.9911 -12.5246 64.9911 2.4602 GPRESSAVG: 4157800 -33.5507 -7.96686 -14.6488 -9.85857 42.2076 64.5713 -10.396 65.2571 3.32724 TIMING: 4157800 CPU: 12039.6, 0.00285553/step Wall: 12039.6, 0.00285553/step, 0.668035 hours remaining, 210.914062 MB of memory in use. ENERGY: 4157800 737.6970 2034.3109 1955.6691 123.8118 -205956.0034 17822.3105 0.0000 0.0000 34424.7593 -148857.4448 300.6400 -183282.2040 -148760.3733 300.2999 94.0603 125.9653 557163.6982 4.1455 3.9947 PRESSURE: 4158000 -12.8982 146.96 -59.9165 146.959 -232.615 -12.2018 -59.9156 -12.2006 129.203 GPRESSURE: 4158000 11.0417 35.1094 130.666 173.874 -179.256 137.673 -87.5756 28.2858 141.497 PRESSAVG: 4158000 -3.66682 22.083 3.04732 22.0831 17.6786 5.15552 3.0473 5.15555 12.9589 GPRESSAVG: 4158000 -3.44853 22.9632 6.09173 23.7841 17.0301 8.42604 0.672748 2.53923 13.2068 TIMING: 4158000 CPU: 12040.1, 0.00288856/step Wall: 12040.1, 0.00288856/step, 0.675603 hours remaining, 210.914062 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: 4158000 740.8770 2084.1951 1950.6018 101.6461 -205632.5274 17621.6429 0.0000 0.0000 34284.9122 -148848.6523 299.4187 -183133.5645 -148755.6591 300.6016 -38.7702 -8.9059 558198.5165 8.9902 8.9295 PRESSURE: 4158200 -34.3375 -89.3516 23.3245 -89.3513 -243.55 -123.684 23.3223 -123.683 -63.1593 GPRESSURE: 4158200 -43.5569 -26.5135 14.3778 -74.3415 -229.713 -193.506 -0.164337 -41.3668 20.0701 PRESSAVG: 4158200 -20.3411 33.6208 -39.0936 33.6209 -59.5019 65.1137 -39.0936 65.1136 73.819 GPRESSAVG: 4158200 -20.3036 34.9976 -39.5808 30.6522 -58.6305 61.783 -40.1934 67.9991 73.1485 TIMING: 4158200 CPU: 12040.7, 0.00290386/step Wall: 12040.7, 0.00290386/step, 0.679019 hours remaining, 210.914062 MB of memory in use. ENERGY: 4158200 728.9697 2063.1016 1938.3203 109.4191 -205393.7428 17453.4945 0.0000 0.0000 34368.7910 -148731.6466 300.1512 -183100.4376 -148627.7476 300.4983 -113.6823 -84.4000 557861.4039 -2.0080 -1.9286 PRESSURE: 4158400 179.211 170.922 -175.466 170.921 -136.951 -138.77 -175.464 -138.771 -62.6944 GPRESSURE: 4158400 180.87 169.685 -80.4827 151.749 -159.431 -96.1509 -166.949 -190.727 52.7891 PRESSAVG: 4158400 30.143 -11.7176 -36.9072 -11.7177 -106.404 15.0927 -36.9072 15.0927 27.6249 GPRESSAVG: 4158400 29.13 -14.0702 -37.7837 -9.38237 -105.91 15.32 -34.8872 15.2662 28.0987 TIMING: 4158400 CPU: 12041.3, 0.00290184/step Wall: 12041.3, 0.00290184/step, 0.678386 hours remaining, 210.914062 MB of memory in use. ENERGY: 4158400 719.6160 2047.9841 1952.8028 106.2795 -205744.2093 17722.2483 0.0000 0.0000 34369.2150 -148826.0636 300.1549 -183195.2786 -148738.9924 300.3873 -6.8115 24.7424 557582.3195 -16.2122 -16.2273 PRESSURE: 4158600 -202.955 38.8887 -6.98083 38.8888 18.9851 -100.95 -6.98071 -100.949 -259.712 GPRESSURE: 4158600 -192.693 -50.7007 -40.873 157.047 39.763 -136.017 40.8278 1.20487 -194.034 PRESSAVG: 4158600 8.35395 43.3891 6.98625 43.3891 -35.6537 -26.7792 6.98617 -26.7791 66.0123 GPRESSAVG: 4158600 8.90518 46.3295 6.60459 41.7804 -34.9228 -26.2946 7.70067 -29.8759 65.1064 TIMING: 4158600 CPU: 12041.9, 0.00288615/step Wall: 12041.9, 0.00288615/step, 0.674558 hours remaining, 210.914062 MB of memory in use. ENERGY: 4158600 745.1859 2027.9517 1962.9955 110.3220 -205289.1677 17419.8391 0.0000 0.0000 34284.1060 -148738.7676 299.4116 -183022.8735 -148639.2096 300.1885 -147.8939 -115.6546 557233.7244 12.9042 13.0296 PRESSURE: 4158800 -151.02 79.039 -61.7252 79.0405 -15.1284 -61.7936 -61.7235 -61.7945 23.5043 GPRESSURE: 4158800 -151.309 108.094 -116.554 139.072 44.8732 -41.2017 -8.83219 -90.0345 56.0341 PRESSAVG: 4158800 -71.4567 54.7845 5.58125 54.7845 51.9896 25.1819 5.58127 25.1819 34.3135 GPRESSAVG: 4158800 -70.8977 53.5536 5.36724 55.5823 51.6648 25.0638 5.30694 26.4928 34.5083 TIMING: 4158800 CPU: 12042.5, 0.00289364/step Wall: 12042.5, 0.00289364/step, 0.676146 hours remaining, 210.914062 MB of memory in use. ENERGY: 4158800 720.0245 2080.4204 1969.8549 114.4137 -205710.4486 17526.9765 0.0000 0.0000 34630.6116 -148668.1469 302.4377 -183298.7585 -148568.6578 300.6611 -47.5479 -16.8004 557490.7426 4.9488 5.0918 PRESSURE: 4159000 109.847 -88.1265 -83.3551 -88.1274 104.692 114.628 -83.3567 114.628 254.56 GPRESSURE: 4159000 112.584 -179.772 -67.8579 -138.992 142.408 36.9669 -11.038 181.572 316.741 PRESSAVG: 4159000 -35.0051 22.6453 -28.2335 22.6452 32.2831 39.8361 -28.2335 39.8361 5.44786 GPRESSAVG: 4159000 -34.8792 22.6815 -28.6764 23.3987 32.9745 41.0004 -29.5548 37.5714 4.75723 TIMING: 4159000 CPU: 12043, 0.00287076/step Wall: 12043, 0.00287076/step, 0.670642 hours remaining, 210.914062 MB of memory in use. ENERGY: 4159000 745.2068 2086.4639 1933.6963 105.6158 -205924.0101 17882.6208 0.0000 0.0000 34274.2336 -148896.1729 299.3254 -183170.4065 -148808.3694 300.6450 156.3664 190.5777 556776.2627 0.9086 0.9509 PRESSURE: 4159200 -77.2637 -139.77 -73.1247 -139.77 120.032 -128.443 -73.1239 -128.442 88.5516 GPRESSURE: 4159200 -40.0492 -215.418 -53.0021 -105.751 128.156 -121.476 -65.8417 -149.977 155.584 PRESSAVG: 4159200 -21.7912 -14.9858 -49.1903 -14.9858 8.12488 7.18825 -49.1902 7.18817 1.24344 GPRESSAVG: 4159200 -22.3822 -14.1296 -47.2248 -16.4692 8.08061 7.56703 -48.4463 9.80757 1.97956 TIMING: 4159200 CPU: 12043.6, 0.00287123/step Wall: 12043.6, 0.00287124/step, 0.670593 hours remaining, 210.914062 MB of memory in use. ENERGY: 4159200 749.4198 2069.0095 1971.0545 109.9919 -205922.1809 17924.4719 0.0000 0.0000 34083.1816 -149015.0517 297.6569 -183098.2333 -148915.6392 300.0328 43.7734 81.2304 557056.0795 -4.1410 -4.1073 PRESSURE: 4159400 -85.5794 -99.0482 -98.8682 -99.0477 -22.0054 68.6118 -98.8683 68.6119 -150.335 GPRESSURE: 4159400 -75.3427 -91.8844 -210.895 -48.2049 6.58064 -20.0108 -54.9022 46.7427 -79.8261 PRESSAVG: 4159400 36.7978 -6.12056 -32.5844 -6.12051 -46.1313 -44.134 -32.5844 -44.1341 53.8901 GPRESSAVG: 4159400 36.8744 -7.24961 -34.9375 -5.96248 -46.7745 -45.9936 -34.9381 -43.6094 54.2095 TIMING: 4159400 CPU: 12044.2, 0.00288543/step Wall: 12044.2, 0.00288543/step, 0.673748 hours remaining, 210.914062 MB of memory in use. ENERGY: 4159400 798.0195 2048.1026 1939.9082 118.1295 -205932.5568 17740.6918 0.0000 0.0000 34396.3856 -148891.3196 300.3922 -183287.7052 -148796.8011 300.1646 -85.9731 -49.5294 556189.3422 14.8522 14.7698 PRESSURE: 4159600 -302.839 -92.9902 -147.473 -92.9902 139.777 83.5117 -147.472 83.512 -35.0761 GPRESSURE: 4159600 -289.335 -69.3435 -152.154 -107.737 140.788 39.1654 -126.997 77.3251 57.1745 PRESSAVG: 4159600 13.3847 -11.8332 19.3751 -11.8333 -23.8493 9.6218 19.3751 9.62179 34.8707 GPRESSAVG: 4159600 13.8667 -11.9322 18.6924 -8.80922 -22.4093 12.0576 20.0029 6.94997 32.5789 TIMING: 4159600 CPU: 12044.8, 0.00287213/step Wall: 12044.8, 0.00287213/step, 0.670483 hours remaining, 210.914062 MB of memory in use. ENERGY: 4159600 749.7342 2059.7635 1933.2748 110.9331 -205766.2813 17623.1731 0.0000 0.0000 34296.1094 -148993.2932 299.5165 -183289.4026 -148895.8223 300.0196 -66.0460 -30.4575 557477.7141 8.1354 8.0121 PRESSURE: 4159800 196.885 -71.1946 67.889 -71.1951 -183.74 -96.5658 67.8894 -96.5663 27.828 GPRESSURE: 4159800 170.267 19.8257 67.0369 -83.7838 -65.8554 6.45429 101.735 -45.8314 33.7624 PRESSAVG: 4159800 4.89282 55.3382 5.67558 55.3382 9.25426 66.9643 5.67563 66.9644 -2.99448 GPRESSAVG: 4159800 4.08059 55.4141 5.78601 53.1684 8.94023 66.4417 7.89481 67.6418 -0.854746 TIMING: 4159800 CPU: 12045.3, 0.00288003/step Wall: 12045.3, 0.00288003/step, 0.672168 hours remaining, 210.914062 MB of memory in use. ENERGY: 4159800 713.6333 2053.3523 1955.8582 122.7832 -206077.3001 17893.5307 0.0000 0.0000 34194.0299 -149144.1124 298.6250 -183338.1423 -149045.8016 299.2957 13.6576 46.0580 558246.0373 3.7175 4.0554 PRESSURE: 4160000 -124.873 139.867 29.1968 139.867 -161.244 136.735 29.1975 136.734 -4.98099 GPRESSURE: 4160000 -54.4336 64.2426 21.9178 177.224 -121.465 112.877 64.1862 75.4999 -24.5231 PRESSAVG: 4160000 35.689 55.2111 9.17998 55.2112 -26.8533 42.0207 9.17995 42.0207 33.7183 GPRESSAVG: 4160000 36.0336 57.2105 9.37178 54.1648 -27.0029 41.17 8.44901 41.6851 33.3951 TIMING: 4160000 CPU: 12045.9, 0.0028836/step Wall: 12045.9, 0.0028836/step, 0.672841 hours remaining, 210.914062 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: 4160000 718.0981 2122.1079 1942.4405 102.0479 -206239.3924 17723.8732 0.0000 0.0000 34390.0771 -149240.7475 300.3371 -183630.8247 -149142.2096 299.9901 -97.0326 -66.8073 557997.1825 14.1847 14.1420 PRESSURE: 4160200 -121.751 103.108 41.2289 103.107 -117.263 -96.3856 41.2279 -96.3864 216.187 GPRESSURE: 4160200 -66.2954 27.6769 89.2497 185.462 -149.962 -12.9613 74.9488 -141.407 294.411 PRESSAVG: 4160200 72.2251 6.0775 -3.42874 6.07751 -74.655 -14.5048 -3.42875 -14.5048 20.1947 GPRESSAVG: 4160200 72.852 2.23171 -3.54782 10.277 -74.8832 -13.8434 -3.2059 -14.6978 20.1537 TIMING: 4160200 CPU: 12046.5, 0.00285812/step Wall: 12046.5, 0.00285812/step, 0.666735 hours remaining, 210.914062 MB of memory in use. ENERGY: 4160200 731.9408 2049.0022 1947.3757 115.2219 -205903.8838 17727.2241 0.0000 0.0000 34036.8921 -149296.2270 297.2526 -183333.1191 -149202.9158 298.7322 -7.6090 26.0512 556967.2946 5.9216 6.0408 LDB: ============= START OF LOAD BALANCING ============== 12049.9 LDB: ============== END OF LOAD BALANCING =============== 12049.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12049.9 LDB: ============= START OF LOAD BALANCING ============== 12050.2 LDB: Largest compute 4773 load 0.024936 is 21.1% of average load 0.118112 LDB: Average compute 0.001736 is 1.5% of average load 0.118112 LDB: TIME 12050.2 LOAD: AVG 0.118112 MAX 0.177798 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.172 MB LDB: TIME 12050.2 LOAD: AVG 0.118112 MAX 0.177798 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.18 MB LDB: TIME 12050.2 LOAD: AVG 0.118112 MAX 0.177798 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.18 MB LDB: ============== END OF LOAD BALANCING =============== 12050.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12050.2 PRESSURE: 4160400 195.041 150.562 14.2753 150.561 5.22631 -48.5618 14.275 -48.5616 209.081 GPRESSURE: 4160400 196.491 107.385 11.0289 129.023 54.679 -141.604 51.501 34.3043 250.046 PRESSAVG: 4160400 -35.4519 9.01863 44.4661 9.01864 -13.6387 -15.1454 44.4661 -15.1453 56.691 GPRESSAVG: 4160400 -36.2111 11.1417 45.6516 5.67619 -14.8506 -15.5151 43.762 -15.3147 58.0291 TIMING: 4160400 CPU: 12047.1, 0.00295015/step Wall: 12047.1, 0.00295015/step, 0.688039 hours remaining, 209.839844 MB of memory in use. ENERGY: 4160400 739.7598 2123.1636 1952.2010 107.0400 -206265.6033 17902.0830 0.0000 0.0000 34088.1713 -149353.1847 297.7005 -183441.3560 -149257.4304 298.8424 136.4493 167.0718 557808.7041 2.5335 2.3224 PRESSURE: 4160600 -36.7432 77.7329 -109.581 77.7315 64.8506 20.3251 -109.581 20.3257 -210.018 GPRESSURE: 4160600 43.0352 58.6506 -114.913 53.0515 49.4072 68.7801 -261.553 0.0926932 -175.406 PRESSAVG: 4160600 17.873 33.6845 39.6125 33.6845 -24.0392 -38.3625 39.6126 -38.3625 -13.2963 GPRESSAVG: 4160600 16.8382 33.3208 39.3813 35.0348 -22.7742 -37.2181 39.3646 -37.9713 -13.9656 TIMING: 4160600 CPU: 12047.6, 0.00286024/step Wall: 12047.6, 0.00286024/step, 0.666912 hours remaining, 209.839844 MB of memory in use. ENERGY: 4160600 739.3854 2089.1393 1936.2543 110.8768 -206364.8793 17729.7694 0.0000 0.0000 34151.9748 -149607.4792 298.2577 -183759.4540 -149498.0465 298.1115 -60.6369 -27.6544 557313.8465 -6.4875 -6.6339 PRESSURE: 4160800 -41.8637 144.132 132.406 144.132 -157.628 -51.528 132.406 -51.5275 -34.8639 GPRESSURE: 4160800 -0.567853 192.347 182.229 98.5097 -119.699 20.7863 138.305 -113.839 -29.757 PRESSAVG: 4160800 3.7808 8.3213 16.9469 8.32136 -50.7424 22.6762 16.9469 22.6762 29.051 GPRESSAVG: 4160800 5.17425 7.87623 16.1759 7.77241 -51.3603 21.0705 16.9183 22.4185 28.3215 TIMING: 4160800 CPU: 12048.2, 0.00284853/step Wall: 12048.2, 0.00284853/step, 0.664023 hours remaining, 209.839844 MB of memory in use. ENERGY: 4160800 741.5120 2062.8923 1977.3280 117.4378 -206638.1006 17904.4532 0.0000 0.0000 34180.7961 -149653.6811 298.5094 -183834.4772 -149553.9138 297.7081 -78.1186 -50.0078 557269.8996 -5.9702 -5.9549 PRESSURE: 4161000 -48.631 -31.1972 -57.4497 -31.1984 -97.9006 17.0582 -57.4495 17.0582 17.3949 GPRESSURE: 4161000 -16.6405 -51.9959 -29.4883 33.4014 -91.3094 6.29995 -79.288 58.842 82.4359 PRESSAVG: 4161000 -44.6088 46.8653 13.1491 46.8653 5.51537 25.0825 13.1491 25.0825 40.4275 GPRESSAVG: 4161000 -46.3894 47.3253 16.2607 46.164 5.96817 25.1306 12.8035 25.2193 41.5152 TIMING: 4161000 CPU: 12048.8, 0.00287754/step Wall: 12048.8, 0.00287754/step, 0.670628 hours remaining, 209.839844 MB of memory in use. ENERGY: 4161000 741.5466 2062.4964 1961.6094 95.7449 -206623.3930 17965.0602 0.0000 0.0000 34245.8806 -149551.0550 299.0778 -183796.9356 -149451.8347 298.3209 -43.0455 -8.5047 556974.6868 0.4447 0.3646 PRESSURE: 4161200 24.6069 150.534 92.7974 150.535 -278.282 -52.2382 92.7971 -52.2389 -10.409 GPRESSURE: 4161200 40.0038 48.2934 115.303 187.749 -203.81 -38.7014 130.34 -13.7115 -5.0048 PRESSAVG: 4161200 -45.1635 32.4053 7.46221 32.4053 -18.8181 -17.8208 7.46229 -17.8207 32.9868 GPRESSAVG: 4161200 -43.38 30.8558 2.99687 32.8132 -19.9583 -13.8996 9.54187 -20.8139 32.3379 TIMING: 4161200 CPU: 12049.4, 0.00287977/step Wall: 12049.4, 0.00287977/step, 0.670986 hours remaining, 209.839844 MB of memory in use. ENERGY: 4161200 719.7175 2130.3952 1934.2472 112.4276 -206498.1505 17928.6900 0.0000 0.0000 34049.7133 -149622.9596 297.3646 -183672.6730 -149525.6425 298.0495 -88.0280 -56.2702 558884.6660 -10.3316 -10.3335 PRESSURE: 4161400 -406.781 -31.1593 -58.9009 -31.1578 -396.553 94.3825 -58.9019 94.3817 -411.768 GPRESSURE: 4161400 -427.232 33.9249 -19.1003 -100.211 -324.498 91.9777 -111.737 115.355 -379.724 PRESSAVG: 4161400 -19.7282 -37.9997 32.7816 -37.9997 -5.92623 -22.9348 32.7815 -22.9348 -12.0146 GPRESSAVG: 4161400 -20.1255 -36.0621 35.4966 -39.5821 -5.36732 -24.0312 30.9529 -20.9211 -11.8651 TIMING: 4161400 CPU: 12049.9, 0.00288966/step Wall: 12049.9, 0.00288966/step, 0.67313 hours remaining, 209.839844 MB of memory in use. ENERGY: 4161400 774.7688 2085.9423 1973.6581 97.6162 -206145.8712 17339.6708 0.0000 0.0000 34103.0390 -149771.1759 297.8303 -183874.2149 -149674.0203 297.6599 -405.0344 -377.1514 559104.3924 -12.5563 -12.4526 PRESSURE: 4161600 -116.378 66.5001 -157.36 66.5007 174.837 -41.8777 -157.361 -41.8764 -184.395 GPRESSURE: 4161600 -45.5495 52.6626 -155.373 43.6565 129.004 -62.9432 -236.055 -35.677 -119.496 PRESSAVG: 4161600 -26.3894 -11.0317 -56.4793 -11.0318 1.37068 -20.5348 -56.4794 -20.5347 15.3544 GPRESSAVG: 4161600 -25.9927 -11.6075 -59.0035 -10.2438 0.861434 -21.9025 -54.5109 -19.6254 15.2838 TIMING: 4161600 CPU: 12050.5, 0.00290189/step Wall: 12050.5, 0.00290189/step, 0.675819 hours remaining, 210.042969 MB of memory in use. ENERGY: 4161600 738.7082 2066.9086 1937.0111 110.8709 -206572.1922 17916.3235 0.0000 0.0000 34193.6815 -149608.6884 298.6219 -183802.3699 -149515.2616 298.1928 -41.9787 -12.0137 558278.9276 -3.2214 -3.2825 PRESSURE: 4161800 -40.2022 -129.248 -100.462 -129.248 -205.689 -82.4975 -100.462 -82.4987 -21.885 GPRESSURE: 4161800 -33.6517 -112.744 -108.601 -144.553 -123.163 -134.324 -107.308 -89.2622 -6.72618 PRESSAVG: 4161800 34.3751 35.4442 19.3041 35.4442 -19.6339 -33.9642 19.3041 -33.9642 30.2759 GPRESSAVG: 4161800 34.2082 33.5576 20.2622 37.1471 -19.8215 -35.5223 17.7732 -33.8371 30.9153 TIMING: 4161800 CPU: 12051.1, 0.00288702/step Wall: 12051.1, 0.00288702/step, 0.672195 hours remaining, 210.042969 MB of memory in use. ENERGY: 4161800 752.4884 2046.9116 1971.6215 120.4410 -206454.6174 17749.1350 0.0000 0.0000 34169.3532 -149644.6667 298.4095 -183814.0199 -149554.9447 297.8807 -89.2586 -54.5135 557785.3210 15.0057 15.1007 PRESSURE: 4162000 102.324 -26.8527 125.267 -26.8521 148.658 -9.68253 125.268 -9.6845 139.156 GPRESSURE: 4162000 124.626 -74.2532 102.792 -5.53731 164.914 -45.3567 179.51 64.3091 204.409 PRESSAVG: 4162000 -24.7837 -4.93937 -24.3351 -4.9394 -28.9164 -42.5272 -24.3351 -42.5273 35.2503 GPRESSAVG: 4162000 -24.948 -3.61953 -24.6483 -7.1227 -27.7221 -41.7432 -22.4747 -39.7077 34.546 TIMING: 4162000 CPU: 12051.7, 0.00289527/step Wall: 12051.7, 0.00289527/step, 0.673954 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4162000 707.1530 2106.4107 1920.7010 117.4738 -206702.4676 17976.7752 0.0000 0.0000 34272.6177 -149601.3362 299.3113 -183873.9539 -149504.8582 298.3449 130.0461 164.6498 556392.0603 -6.1500 -6.0414 PRESSURE: 4162200 397.661 20.6012 -8.1372 20.6023 343.165 -39.842 -8.13756 -39.8397 74.7992 GPRESSURE: 4162200 437.899 41.2303 0.829521 -85.3711 341.705 14.294 51.731 -64.0651 130.372 PRESSAVG: 4162200 35.1521 18.1219 12.7593 18.122 12.9286 -10.2063 12.7593 -10.2063 -9.80389 GPRESSAVG: 4162200 34.1875 16.7261 14.6199 19.1441 12.2285 -6.88225 11.131 -13.7833 -7.83059 TIMING: 4162200 CPU: 12052.2, 0.00287249/step Wall: 12052.2, 0.00287249/step, 0.668491 hours remaining, 210.042969 MB of memory in use. ENERGY: 4162200 751.7852 2108.9139 1949.8859 115.6854 -206771.3486 18222.1984 0.0000 0.0000 33945.6931 -149677.1865 296.4562 -183622.8797 -149580.3660 297.5666 271.8750 303.3253 555979.0852 12.7590 12.8618 PRESSURE: 4162400 83.8244 -48.7166 3.55761 -48.716 -51.2853 -34.8489 3.55746 -34.8473 -177.174 GPRESSURE: 4162400 114.55 -68.6668 15.4758 15.9124 -30.2221 -95.1473 -32.7031 15.1767 -132.619 PRESSAVG: 4162400 40.2165 0.94659 -15.9821 0.946711 -2.8123 6.42597 -15.9822 6.42601 -39.5302 GPRESSAVG: 4162400 40.3613 3.0963 -15.9009 0.0249145 -2.83769 4.24766 -16.0026 5.53188 -40.1492 TIMING: 4162400 CPU: 12052.8, 0.00287978/step Wall: 12052.8, 0.00287978/step, 0.670029 hours remaining, 210.042969 MB of memory in use. ENERGY: 4162400 688.7084 2085.6479 1938.1359 118.2870 -206681.0889 17747.3011 0.0000 0.0000 34158.3598 -149944.6486 298.3135 -184103.0084 -149847.4536 297.1610 -48.2116 -16.0970 556753.2833 -0.7087 -0.8752 PRESSURE: 4162600 -51.2336 46.2452 87.1797 46.2437 76.5847 -86.9914 87.1791 -86.9899 61.3229 GPRESSURE: 4162600 -55.8415 93.621 -3.12764 26.0335 106.603 -68.4116 65.4022 -52.7676 127.627 PRESSAVG: 4162600 -38.5384 22.0689 -2.01471 22.0689 23.3215 38.737 -2.01476 38.737 7.66388 GPRESSAVG: 4162600 -38.0987 20.6117 -3.44003 24.0712 23.4216 38.4668 -0.91627 39.0079 7.09875 TIMING: 4162600 CPU: 12053.4, 0.00288269/step Wall: 12053.4, 0.00288269/step, 0.670545 hours remaining, 210.042969 MB of memory in use. ENERGY: 4162600 752.0216 2059.6684 1985.7264 98.4755 -206564.7362 17956.4326 0.0000 0.0000 33894.5649 -149817.8469 296.0097 -183712.4117 -149724.3891 297.4382 28.8913 59.4628 557300.1955 -2.5177 -2.5261 PRESSURE: 4162800 -11.769 160.172 73.8303 160.175 243.903 -50.7849 73.8315 -50.7846 205.893 GPRESSURE: 4162800 42.2228 187.685 76.5941 192.303 268.599 -44.8524 34.1098 -110.973 223.322 PRESSAVG: 4162800 24.1987 0.317555 -23.6397 0.317513 -11.6916 2.49728 -23.6396 2.49734 -5.25931 GPRESSAVG: 4162800 24.4122 -0.370464 -21.6514 -0.377572 -11.8065 2.53745 -24.9584 2.20616 -5.17613 TIMING: 4162800 CPU: 12054, 0.00289288/step Wall: 12054, 0.00289288/step, 0.672756 hours remaining, 210.042969 MB of memory in use. ENERGY: 4162800 733.6127 2058.5856 1970.3669 124.2228 -206766.3310 17981.2396 0.0000 0.0000 33935.5843 -149962.7192 296.3679 -183898.3035 -149866.6827 296.6769 146.0088 178.0480 555079.7111 2.4159 2.4765 PRESSURE: 4163000 193.152 -65.1784 52.4753 -65.1786 -221.299 25.7539 52.4753 25.7545 -128.171 GPRESSURE: 4163000 209.938 -101.831 105.877 -30.7607 -178.272 81.2978 89.5762 28.9882 -89.6319 PRESSAVG: 4163000 46.2631 26.1542 -3.63648 26.1542 -3.87557 -13.6458 -3.63656 -13.646 9.12621 GPRESSAVG: 4163000 46.8851 26.5817 -4.24291 24.4081 -4.10973 -14.3154 -3.589 -11.6593 8.54637 TIMING: 4163000 CPU: 12054.6, 0.00289289/step Wall: 12054.6, 0.00289289/step, 0.672597 hours remaining, 210.042969 MB of memory in use. ENERGY: 4163000 748.2539 2028.4202 1946.7806 110.8843 -206769.9955 17945.4910 0.0000 0.0000 33962.2223 -150027.9432 296.6005 -183990.1656 -149933.3895 296.7659 -52.1060 -19.3220 555609.3825 17.1712 17.1073 PRESSURE: 4163200 -19.5342 40.1453 -182.973 40.1465 211.452 -81.0999 -182.973 -81.1002 78.5235 GPRESSURE: 4163200 -2.51049 42.0768 -161.434 58.9546 280.678 -132.461 -194.645 -34.9189 80.6456 PRESSAVG: 4163200 14.2681 -40.6016 -3.71787 -40.6015 -7.7754 -47.3774 -3.71779 -47.3774 -48.1195 GPRESSAVG: 4163200 12.8549 -39.5203 -4.97593 -40.7372 -5.83054 -44.9102 -1.18841 -48.2376 -48.4803 TIMING: 4163200 CPU: 12055.1, 0.00288699/step Wall: 12055.1, 0.00288699/step, 0.671066 hours remaining, 210.042969 MB of memory in use. ENERGY: 4163200 732.0446 2101.6059 1946.7801 113.6679 -206944.8251 18100.8404 0.0000 0.0000 33815.9158 -150133.9704 295.3228 -183949.8862 -150042.9333 296.8948 90.1471 119.6043 556511.2878 -13.8756 -13.8186 PRESSURE: 4163400 2.59302 145.319 -60.2439 145.319 -53.3841 25.8798 -60.243 25.8789 -39.4345 GPRESSURE: 4163400 -0.693735 125.821 -63.1499 160.969 22.8969 23.498 -47.4336 -104.133 -24.6754 PRESSAVG: 4163400 -42.3382 40.4157 9.48241 40.4157 26.3661 9.09902 9.48236 9.09901 12.7578 GPRESSAVG: 4163400 -40.1936 39.8196 13.5501 41.306 23.8164 7.16793 5.61162 8.65697 13.3166 TIMING: 4163400 CPU: 12055.7, 0.00285257/step Wall: 12055.7, 0.00285257/step, 0.662906 hours remaining, 210.042969 MB of memory in use. ENERGY: 4163400 771.8195 2026.3963 1926.6222 111.3238 -207132.2918 18165.1708 0.0000 0.0000 33962.0410 -150168.9183 296.5990 -184130.9593 -150073.9648 296.8896 -30.0752 -0.8241 556759.0485 -1.0714 -1.0202 PRESSURE: 4163600 293.82 -58.6537 109.753 -58.6535 94.9972 31.4471 109.753 31.4479 94.8147 GPRESSURE: 4163600 309.601 23.5656 34.7002 -157.301 60.6093 -44.0789 125.881 75.0687 209.972 PRESSAVG: 4163600 -63.6504 47.0201 26.5307 47.0201 -4.33251 -21.2079 26.5306 -21.208 51.3957 GPRESSAVG: 4163600 -64.58 46.6982 23.0766 46.1967 -4.23286 -22.2471 28.2636 -18.4457 52.0491 TIMING: 4163600 CPU: 12056.3, 0.00287812/step Wall: 12056.3, 0.00287812/step, 0.668684 hours remaining, 210.042969 MB of memory in use. ENERGY: 4163600 745.0962 2036.0258 1950.0314 114.9050 -207078.7925 18180.8470 0.0000 0.0000 34030.0453 -150021.8416 297.1928 -184051.8870 -149925.5489 296.8118 161.2107 193.3942 556299.7347 -5.5291 -5.5879 PRESSURE: 4163800 53.0288 108.664 9.86932 108.663 32.63 -7.34338 9.86944 -7.34324 145.709 GPRESSURE: 4163800 53.0605 173.258 -30.1055 54.0673 93.3263 25.2862 17.8175 -7.9673 198.243 PRESSAVG: 4163800 -36.0258 -4.76628 13.2399 -4.76625 6.20873 -11.9172 13.2401 -11.9171 8.91513 GPRESSAVG: 4163800 -36.0941 -4.53234 12.8366 -4.43701 6.94341 -8.77676 15.0295 -13.3533 8.74449 TIMING: 4163800 CPU: 12056.9, 0.00287443/step Wall: 12056.9, 0.00287443/step, 0.667667 hours remaining, 210.042969 MB of memory in use. ENERGY: 4163800 736.5275 2067.4570 1964.9033 109.4262 -207148.3501 18146.7948 0.0000 0.0000 34099.9233 -150023.3181 297.8031 -184123.2414 -149926.2369 297.1534 77.1224 114.8764 554997.6854 -6.9673 -6.8021 PRESSURE: 4164000 -38.4569 112.689 -65.3967 112.689 -52.6723 157.106 -65.3975 157.105 149.068 GPRESSURE: 4164000 -0.351581 96.0074 -102.852 149.006 -5.23105 48.183 -58.3629 196.714 169.321 PRESSAVG: 4164000 -30.3316 66.0586 -0.749511 66.0587 -21.4024 -7.60858 -0.749608 -7.60851 77.1686 GPRESSAVG: 4164000 -30.0796 66.096 -0.329993 65.628 -20.4726 -9.74475 -2.11459 -7.55456 76.2033 TIMING: 4164000 CPU: 12057.4, 0.00286941/step Wall: 12057.4, 0.00286941/step, 0.66634 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4164000 712.3331 2110.3961 1960.4242 102.1552 -206814.7107 17896.8962 0.0000 0.0000 34105.8800 -149926.6259 297.8551 -184032.5059 -149826.9299 297.4325 19.3128 54.5794 555921.3982 8.4782 8.5504 PRESSURE: 4164200 71.9795 24.4838 16.5855 24.4848 288.911 108.089 16.5852 108.088 216.395 GPRESSURE: 4164200 154.401 -1.92283 40.9156 15.1398 274.403 48.5726 65.8741 159.056 254.919 PRESSAVG: 4164200 -33.7563 68.2189 -9.40844 68.219 -2.50231 5.15786 -9.40838 5.15781 28.5694 GPRESSAVG: 4164200 -34.8613 67.1306 -10.4334 68.8044 -2.99266 5.09146 -9.06122 3.62204 30.3639 TIMING: 4164200 CPU: 12058, 0.00287195/step Wall: 12058, 0.00287195/step, 0.666772 hours remaining, 210.042969 MB of memory in use. ENERGY: 4164200 704.2980 2063.8619 1977.4034 129.9188 -206961.8335 18174.5867 0.0000 0.0000 34066.4419 -149845.3227 297.5107 -183911.7646 -149755.4448 297.6141 192.4287 227.9074 555398.1827 -2.5631 -2.4967 LDB: ============= START OF LOAD BALANCING ============== 12061.4 LDB: ============== END OF LOAD BALANCING =============== 12061.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12061.4 LDB: ============= START OF LOAD BALANCING ============== 12061.7 LDB: Largest compute 4773 load 0.025397 is 21.5% of average load 0.118054 LDB: Average compute 0.001730 is 1.5% of average load 0.118054 LDB: TIME 12061.7 LOAD: AVG 0.118054 MAX 0.180615 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 12061.7 LOAD: AVG 0.118054 MAX 0.180615 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 12061.7 LOAD: AVG 0.118054 MAX 0.180615 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12061.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12061.7 PRESSURE: 4164400 -122.238 -190.172 115.715 -190.173 -136.318 91.1201 115.716 91.1183 -297.892 GPRESSURE: 4164400 -72.2836 -233.484 62.4128 -149.612 -72.5877 76.7188 164.75 94.8299 -304.552 PRESSAVG: 4164400 -41.0784 -66.584 -17.1347 -66.584 73.5247 41.9064 -17.1347 41.9064 12.8001 GPRESSAVG: 4164400 -38.9719 -67.0539 -15.1065 -67.2429 72.9494 42.82 -16.3306 42.8702 11.9671 TIMING: 4164400 CPU: 12058.6, 0.00294321/step Wall: 12058.6, 0.00294321/step, 0.683151 hours remaining, 211.378906 MB of memory in use. ENERGY: 4164400 780.4676 2048.8760 1970.5412 113.8527 -206579.6400 17751.5254 0.0000 0.0000 34043.0505 -149871.3267 297.3064 -183914.3772 -149783.0196 297.2799 -185.4828 -149.8079 557615.5279 15.0821 15.3148 PRESSURE: 4164600 -95.6163 -43.9984 2.39889 -43.9977 -39.7559 27.6377 2.3997 27.6361 -261.346 GPRESSURE: 4164600 -98.8651 4.80471 74.5785 -168.362 0.984808 13.3599 -34.7275 18.5858 -212.695 PRESSAVG: 4164600 19.8136 -48.0485 -45.4043 -48.0484 22.9103 23.1841 -45.4044 23.1841 -20.7294 GPRESSAVG: 4164600 19.774 -46.8122 -44.7508 -49.9017 23.7127 24.5584 -44.9321 21.7837 -21.5127 TIMING: 4164600 CPU: 12059.2, 0.0028819/step Wall: 12059.2, 0.00288191/step, 0.668762 hours remaining, 211.378906 MB of memory in use. ENERGY: 4164600 726.4294 2093.9772 1966.2214 111.1810 -206383.5071 17682.5976 0.0000 0.0000 34078.6243 -149724.4762 297.6171 -183803.1005 -149630.0531 296.6687 -132.2392 -103.5252 556770.9974 7.3315 7.3247 PRESSURE: 4164800 -82.3949 -33.1333 -34.6981 -33.1334 53.6478 73.7831 -34.6988 73.7859 -125.751 GPRESSURE: 4164800 -30.4779 -14.3563 -87.9684 -14.6657 79.605 91.8165 -13.2121 42.1491 -117.726 PRESSAVG: 4164800 -24.4234 -31.9818 12.8393 -31.9818 38.345 -12.582 12.8392 -12.5818 -34.4492 GPRESSAVG: 4164800 -24.381 -30.3441 12.208 -30.9647 37.3464 -13.1004 11.9826 -12.5605 -33.7044 TIMING: 4164800 CPU: 12059.7, 0.00286884/step Wall: 12059.7, 0.00286884/step, 0.66557 hours remaining, 211.378906 MB of memory in use. ENERGY: 4164800 739.5305 2140.3842 1948.4603 121.3021 -206097.2646 17637.3174 0.0000 0.0000 33988.9841 -149521.2861 296.8343 -183510.2702 -149432.0663 298.3020 -51.4995 -22.8663 557377.1756 -6.8425 -6.9130 PRESSURE: 4165000 107.804 9.0206 -107.656 9.02071 -82.0348 -78.5679 -107.657 -78.5674 15.1967 GPRESSURE: 4165000 92.8604 -81.9958 -93.1813 38.1956 24.6491 8.21282 -102.485 -138.376 29.7241 PRESSAVG: 4165000 -33.1369 -16.5919 14.2823 -16.5919 36.2824 -10.8196 14.2823 -10.8195 5.31932 GPRESSAVG: 4165000 -34.6095 -16.506 13.4928 -15.1582 38.4492 -11.7328 14.0435 -9.19277 4.25447 TIMING: 4165000 CPU: 12060.3, 0.00286393/step Wall: 12060.3, 0.00286393/step, 0.664273 hours remaining, 211.378906 MB of memory in use. ENERGY: 4165000 757.0860 2050.7661 1968.9026 100.8213 -206626.9093 18005.6084 0.0000 0.0000 34366.8826 -149376.8423 300.1345 -183743.7249 -149279.2780 299.3861 13.6552 49.0779 557541.4119 2.8216 2.6981 PRESSURE: 4165200 -169.294 -40.3354 -72.1938 -40.3361 40.3713 98.9167 -72.1931 98.9174 -75.9326 GPRESSURE: 4165200 -113.98 -90.6229 -54.1578 -44.4766 45.0464 100.261 -74.191 126.817 -39.5663 PRESSAVG: 4165200 6.52742 12.8226 -33.3779 12.8227 6.97088 -3.90239 -33.3778 -3.90244 11.8743 GPRESSAVG: 4165200 7.47648 12.179 -33.2365 11.3653 4.66798 -2.84631 -32.4792 -3.09534 12.9777 TIMING: 4165200 CPU: 12060.9, 0.00290253/step Wall: 12060.9, 0.00290253/step, 0.673064 hours remaining, 211.378906 MB of memory in use. ENERGY: 4165200 738.5153 2052.5698 1943.3472 114.9724 -206393.3098 17850.0168 0.0000 0.0000 34371.0052 -149322.8832 300.1705 -183693.8883 -149225.6432 299.6158 -68.2852 -36.1667 558414.8219 8.4575 8.3741 PRESSURE: 4165400 89.9741 -193.241 178.414 -193.24 71.3195 16.0467 178.416 16.0479 255.059 GPRESSURE: 4165400 169.674 -113.765 210.167 -208.393 92.3937 22.3863 170.736 68.217 257.515 PRESSAVG: 4165400 -39.9491 -71.3453 40.2952 -71.3453 -29.0385 22.0886 40.2952 22.0886 41.5056 GPRESSAVG: 4165400 -39.9832 -71.3645 40.4267 -71.5526 -28.037 20.9844 39.1109 23.2637 40.7416 TIMING: 4165400 CPU: 12061.5, 0.00289101/step Wall: 12061.5, 0.00289101/step, 0.670232 hours remaining, 211.378906 MB of memory in use. ENERGY: 4165400 750.4045 2073.8405 1940.7254 117.8430 -206399.1037 18035.3376 0.0000 0.0000 34273.0870 -149207.8656 299.3154 -183480.9526 -149114.6499 299.1740 138.7841 173.1943 556895.5876 -9.1607 -9.0929 PRESSURE: 4165600 93.7405 243.112 59.0952 243.111 57.7261 56.3034 59.0958 56.3008 146.062 GPRESSURE: 4165600 109.806 237.758 85.6219 272.608 140.802 89.4188 57.0805 67.6984 145.397 PRESSAVG: 4165600 -18.2381 19.7676 85.8821 19.7677 38.0424 -22.9053 85.8821 -22.9053 54.3951 GPRESSAVG: 4165600 -17.8396 18.5825 85.1185 19.6479 38.1944 -21.7943 87.2595 -24.3092 53.7216 TIMING: 4165600 CPU: 12062.1, 0.00290523/step Wall: 12062.1, 0.00290523/step, 0.673367 hours remaining, 211.378906 MB of memory in use. ENERGY: 4165600 750.7421 2133.3369 1936.7084 104.3973 -206230.6839 17960.4453 0.0000 0.0000 34341.0276 -149004.0263 299.9087 -183345.0539 -148909.6292 299.7027 99.1764 132.0019 558543.0201 24.7331 24.6921 PRESSURE: 4165800 158.732 -128.171 -110.151 -128.169 43.9491 -155.79 -110.151 -155.791 -7.7799 GPRESSURE: 4165800 217.767 -150.01 -72.2224 -94.3826 16.1212 -210.207 -121.394 -182.239 51.2457 PRESSAVG: 4165800 -62.3106 5.63898 -11.8439 5.63896 38.0706 -13.6003 -11.8439 -13.6004 20.891 GPRESSAVG: 4165800 -63.2921 6.15936 -11.2309 5.35408 37.745 -14.9034 -11.9176 -13.6258 22.0513 TIMING: 4165800 CPU: 12062.6, 0.00288683/step Wall: 12062.6, 0.00288683/step, 0.668943 hours remaining, 211.378906 MB of memory in use. ENERGY: 4165800 714.9835 2044.7782 1952.0329 100.8813 -205939.0238 17806.8541 0.0000 0.0000 34241.1109 -149078.3830 299.0361 -183319.4939 -148979.9756 299.6218 64.9670 95.0445 558648.2963 -1.1164 -1.1653 PRESSURE: 4166000 -38.4574 -137.221 -106.134 -137.22 107.735 -61.7628 -106.134 -61.7643 19.7215 GPRESSURE: 4166000 38.3406 -206.977 -138.793 -117.902 107.702 -84.94 -87.3665 -79.7363 37.5616 PRESSAVG: 4166000 14.9395 -38.1954 -23.9109 -38.1954 -13.8989 -54.8556 -23.9109 -54.8556 7.98366 GPRESSAVG: 4166000 15.9785 -38.0054 -22.1013 -37.6229 -14.0153 -53.2273 -25.4428 -55.8222 7.45384 TIMING: 4166000 CPU: 12063.2, 0.00288708/step Wall: 12063.2, 0.00288708/step, 0.66884 hours remaining, 211.378906 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: 4166000 747.1469 2122.9807 1956.3635 105.7286 -206091.9030 17781.4677 0.0000 0.0000 34189.7191 -149188.4967 298.5873 -183378.2157 -149091.1165 299.4572 29.6664 61.2015 557301.8258 3.0081 3.1390 PRESSURE: 4166200 -45.3362 13.2881 -108.51 13.2884 -21.5558 -32.0945 -108.511 -32.0933 278.168 GPRESSURE: 4166200 14.5997 62.1294 -96.6889 15.8823 23.3381 -23.1992 -129.884 12.8047 268.477 PRESSAVG: 4166200 8.89251 -3.7073 17.6253 -3.70728 -19.3909 -26.4279 17.6253 -26.428 1.1025 GPRESSAVG: 4166200 9.56106 -4.88513 15.474 -1.96053 -19.3078 -27.3423 20.8782 -25.3738 0.544147 TIMING: 4166200 CPU: 12063.8, 0.00290087/step Wall: 12063.8, 0.00290087/step, 0.671873 hours remaining, 211.378906 MB of memory in use. ENERGY: 4166200 745.0020 2090.7635 1975.7119 115.1006 -206744.5443 18049.6408 0.0000 0.0000 34640.5732 -149127.7522 302.5247 -183768.3254 -149033.1375 300.0094 70.4254 102.1383 556593.1294 -3.1320 -3.0675 PRESSURE: 4166400 162.027 -78.6061 -49.8827 -78.6079 98.6056 -64.6854 -49.8818 -64.6863 5.60932 GPRESSURE: 4166400 169.779 -13.5499 -25.719 -132.783 108.836 54.7305 -89.823 -139.097 69.8929 PRESSAVG: 4166400 35.6113 -46.7438 -1.5511 -46.7439 18.3447 -6.55784 -1.55109 -6.55797 -23.6694 GPRESSAVG: 4166400 35.226 -46.8526 1.80801 -46.7275 18.6821 -6.16396 -3.93352 -7.43622 -23.3704 TIMING: 4166400 CPU: 12064.4, 0.00286787/step Wall: 12064.4, 0.00286787/step, 0.664071 hours remaining, 211.378906 MB of memory in use. ENERGY: 4166400 756.4269 2042.2956 1958.2575 105.6893 -206297.8052 17989.6238 0.0000 0.0000 34283.7272 -149161.7849 299.4083 -183445.5120 -149063.8592 299.1862 88.7474 116.1693 556107.8415 10.0956 10.1792 PRESSURE: 4166600 -3.92158 -122.785 22.0616 -122.786 11.099 -34.7866 22.0619 -34.7847 -141.319 GPRESSURE: 4166600 -7.2756 -106.829 150.029 -125.811 66.2127 -4.29548 88.0992 -61.1692 -101.925 PRESSAVG: 4166600 9.16772 -31.8714 21.3493 -31.8714 -27.1354 -27.645 21.3494 -27.6451 30.7178 GPRESSAVG: 4166600 8.4119 -30.8547 20.1871 -31.5425 -25.9713 -26.9074 20.184 -27.7271 30.6135 TIMING: 4166600 CPU: 12064.9, 0.00288085/step Wall: 12064.9, 0.00288085/step, 0.666917 hours remaining, 211.378906 MB of memory in use. ENERGY: 4166600 725.9738 2080.9469 1960.9736 110.1756 -206195.7266 17685.6273 0.0000 0.0000 34474.0643 -149157.9650 301.0706 -183632.0294 -149060.4280 299.9698 -44.7137 -14.3294 556426.0483 4.2500 4.3514 PRESSURE: 4166800 -302.683 -157.55 -3.32884 -157.55 -176.58 -24.7652 -3.32879 -24.7661 -199.543 GPRESSURE: 4166800 -236.111 -111.979 -34.12 -209.469 -147.391 -63.509 56.9204 -23.8358 -201.793 PRESSAVG: 4166800 -12.4633 34.3657 -40.73 34.3657 14.433 -46.5738 -40.73 -46.5738 -9.58585 GPRESSAVG: 4166800 -10.8485 35.5505 -42.1048 34.6194 13.0649 -49.1843 -40.5793 -45.6487 -9.60275 TIMING: 4166800 CPU: 12065.5, 0.00286777/step Wall: 12065.5, 0.00286778/step, 0.663731 hours remaining, 211.378906 MB of memory in use. ENERGY: 4166800 756.7863 2021.2571 1976.3278 111.4401 -205799.6715 17610.5142 0.0000 0.0000 34218.6601 -149104.6859 298.8401 -183323.3459 -149014.0556 300.0284 -226.2685 -195.0984 558718.5706 -2.5387 -2.4621 PRESSURE: 4167000 164.431 153.603 11.1044 153.603 235.492 12.3245 11.1055 12.3258 -183.318 GPRESSURE: 4167000 125.397 195.097 57.4734 188.113 232.531 -29.0481 -51.1875 -32.5157 -48.4709 PRESSAVG: 4167000 -0.274831 -6.46379 -20.7952 -6.46387 -28.4518 -16.2904 -20.7951 -16.2904 -8.54669 GPRESSAVG: 4167000 -1.30061 -9.02841 -19.7215 -8.51162 -27.8971 -15.7174 -20.5016 -17.6382 -8.58134 TIMING: 4167000 CPU: 12066.1, 0.0028713/step Wall: 12066.1, 0.0028713/step, 0.664387 hours remaining, 211.378906 MB of memory in use. ENERGY: 4167000 721.6949 2060.4772 1958.6295 106.5283 -206219.2462 17886.7734 0.0000 0.0000 34228.3084 -149256.8345 298.9243 -183485.1430 -149153.5202 299.3110 72.2016 103.1523 558400.2664 -12.4244 -12.5930 PRESSURE: 4167200 113.958 -52.1311 194.95 -52.1308 -83.0151 -4.84323 194.951 -4.84144 92.7434 GPRESSURE: 4167200 143.87 17.2817 173.008 -103.585 -90.7324 -35.5416 165.258 -18.7037 183.431 PRESSAVG: 4167200 -39.8676 -5.62998 9.58365 -5.62997 57.924 -1.41171 9.58374 -1.41185 11.2641 GPRESSAVG: 4167200 -38.6971 -5.1215 8.10513 -4.97365 55.47 -1.03085 11.2099 0.654867 12.9358 TIMING: 4167200 CPU: 12066.7, 0.00284701/step Wall: 12066.7, 0.00284701/step, 0.658608 hours remaining, 211.378906 MB of memory in use. ENERGY: 4167200 734.8283 2091.3593 1962.8054 111.9405 -206326.9731 17881.8571 0.0000 0.0000 34302.2645 -149241.9180 299.5702 -183544.1825 -149141.5333 299.3097 41.2289 78.8563 557094.1954 9.7735 9.9029 PRESSURE: 4167400 96.7942 -114.091 41.964 -114.091 19.2551 -118.05 41.966 -118.049 -147.039 GPRESSURE: 4167400 173.902 -137.707 68.8969 -68.5599 47.1716 -110.167 -11.016 -65.8531 -155.652 PRESSAVG: 4167400 -22.6291 -11.0357 31.6248 -11.0358 -40.3516 19.8113 31.6247 19.8114 10.0445 GPRESSAVG: 4167400 -23.6626 -8.80378 31.5219 -12.8786 -37.9079 19.9365 28.7887 20.669 8.64147 TIMING: 4167400 CPU: 12067.2, 0.00287841/step Wall: 12067.2, 0.00287841/step, 0.665713 hours remaining, 211.378906 MB of memory in use. ENERGY: 4167400 714.3557 2083.5959 1932.8848 110.5445 -205953.8136 17676.5654 0.0000 0.0000 34261.0473 -149174.8200 299.2102 -183435.8673 -149078.9408 298.7628 -10.3298 21.8072 557414.0604 -17.6454 -17.6430 PRESSURE: 4167600 175.404 19.8569 52.6163 19.8569 114.14 -40.2549 52.6164 -40.2522 -164.94 GPRESSURE: 4167600 210.241 -15.9378 -15.2784 0.212579 113.893 35.4136 62.32 -81.287 -100.627 PRESSAVG: 4167600 13.9765 -16.8001 -13.4376 -16.8002 -14.9857 21.2122 -13.4375 21.2121 46.8107 GPRESSAVG: 4167600 15.7758 -18.8614 -11.9583 -15.5817 -16.4614 21.3445 -12.1474 19.8521 46.2571 TIMING: 4167600 CPU: 12067.8, 0.00288074/step Wall: 12067.8, 0.00288074/step, 0.666091 hours remaining, 211.378906 MB of memory in use. ENERGY: 4167600 719.3318 2002.0124 1962.0660 104.8445 -206089.8579 18001.0026 0.0000 0.0000 34140.1128 -149160.4877 298.1541 -183300.6005 -149064.4390 299.0076 41.5344 74.5023 558833.9249 15.2671 15.1905 PRESSURE: 4167800 -275.053 -129.575 -1.84713 -129.573 -243.559 -62.1403 -1.84648 -62.141 -285.312 GPRESSURE: 4167800 -277.973 -138.892 -82.0198 -32.1804 -229.843 -64.1474 -35.6958 -96.3261 -204.629 PRESSAVG: 4167800 -2.5819 -21.904 9.39287 -21.9039 24.0897 46.1361 9.39286 46.1361 -3.87327 GPRESSAVG: 4167800 -2.75168 -19.9615 10.2247 -22.8215 23.8646 47.6305 9.76068 45.5937 -3.56738 TIMING: 4167800 CPU: 12068.4, 0.00287254/step Wall: 12068.4, 0.00287254/step, 0.664034 hours remaining, 211.378906 MB of memory in use. ENERGY: 4167800 772.2999 2038.5508 1947.0991 104.3261 -206059.8362 17563.0103 0.0000 0.0000 34327.7516 -149306.7984 299.7928 -183634.5500 -149210.6379 299.5870 -267.9748 -237.4817 559223.5642 5.8782 5.8485 PRESSURE: 4168000 82.1642 -51.2476 94.3635 -51.2479 -215.92 126.509 94.3627 126.509 -250.685 GPRESSURE: 4168000 88.6702 -2.54159 108.622 -128.136 -205.97 170.226 108.275 143.292 -173.771 PRESSAVG: 4168000 83.1722 8.18804 19.2949 8.1881 -34.47 7.00124 19.2948 7.00124 -47.8458 GPRESSAVG: 4168000 81.9673 6.56247 19.2391 9.26003 -34.0742 4.08635 16.3578 8.59883 -47.1047 TIMING: 4168000 CPU: 12069, 0.00288147/step Wall: 12069, 0.00288147/step, 0.665939 hours remaining, 211.378906 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: 4168000 725.6980 2048.9038 1976.9519 129.1733 -205765.7846 17694.1140 0.0000 0.0000 34107.9823 -149082.9614 297.8735 -183190.9437 -148989.7861 299.4055 -128.1471 -97.0236 558421.4617 0.2854 0.2628 PRESSURE: 4168200 -276.491 -42.5596 -44.0076 -42.5611 -722.681 150.619 -44.0079 150.618 -350.545 GPRESSURE: 4168200 -311.944 -19.476 26.8444 20.4239 -630.116 85.689 -139.949 105.519 -314.398 PRESSAVG: 4168200 31.5481 23.2693 12.456 23.2693 -46.3018 -7.13822 12.456 -7.13812 5.31095 GPRESSAVG: 4168200 32.0853 22.2531 13.3386 23.0145 -46.4764 -4.46098 12.6677 -10.3385 4.97936 TIMING: 4168200 CPU: 12069.5, 0.0028571/step Wall: 12069.5, 0.0028571/step, 0.660149 hours remaining, 211.378906 MB of memory in use. ENERGY: 4168200 742.4416 2098.4140 1973.6116 114.3260 -205872.1695 17476.2582 0.0000 0.0000 34348.9728 -149118.1453 299.9781 -183467.1181 -149017.1399 298.9359 -449.9057 -418.8193 559522.2191 -3.1476 -3.1373 LDB: ============= START OF LOAD BALANCING ============== 12072.9 LDB: ============== END OF LOAD BALANCING =============== 12072.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12072.9 LDB: ============= START OF LOAD BALANCING ============== 12073.2 LDB: Largest compute 4773 load 0.025746 is 21.8% of average load 0.117970 LDB: Average compute 0.001741 is 1.5% of average load 0.117970 LDB: TIME 12073.2 LOAD: AVG 0.11797 MAX 0.177339 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.734 MB LDB: TIME 12073.2 LOAD: AVG 0.11797 MAX 0.177339 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.734 MB LDB: TIME 12073.2 LOAD: AVG 0.11797 MAX 0.177339 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.734 MB LDB: ============== END OF LOAD BALANCING =============== 12073.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12073.2 PRESSURE: 4168400 -27.1439 -67.3751 80.8113 -67.3747 -33.3747 26.4734 80.8123 26.4723 75.8874 GPRESSURE: 4168400 40.6911 4.70947 126.302 -122.491 -55.0977 98.2372 69.2628 63.7203 121.008 PRESSAVG: 4168400 17.419 38.856 56.8155 38.8561 -81.8668 48.163 56.8155 48.163 64.0336 GPRESSAVG: 4168400 17.0941 39.6585 55.6931 39.6468 -81.4055 45.4745 59.1249 50.2513 63.5348 TIMING: 4168400 CPU: 12070.1, 0.00293622/step Wall: 12070.1, 0.00293622/step, 0.678267 hours remaining, 210.152344 MB of memory in use. ENERGY: 4168400 747.9890 2064.1613 1932.3899 118.6608 -206046.7826 17854.2015 0.0000 0.0000 34487.1280 -148842.2520 301.1847 -183329.3800 -148747.9108 299.2972 5.1229 35.5340 557849.6950 -0.1381 -0.2589 PRESSURE: 4168600 -232.213 22.6466 -40.2736 22.6468 105.105 -58.0364 -40.2735 -58.0359 -118.645 GPRESSURE: 4168600 -144.718 14.4832 -69.0429 23.2783 57.3674 -92.4293 0.788519 -54.5255 -56.2881 PRESSAVG: 4168600 5.08143 45.8522 42.2995 45.8523 -35.4802 25.3314 42.2996 25.3313 13.3628 GPRESSAVG: 4168600 5.92954 45.3237 39.5114 45.8697 -36.799 25.9984 43.5153 23.4853 13.7524 TIMING: 4168600 CPU: 12070.7, 0.00291691/step Wall: 12070.7, 0.00291691/step, 0.673644 hours remaining, 210.152344 MB of memory in use. ENERGY: 4168600 717.9336 2084.7727 1949.4270 108.4807 -205626.0474 17528.3739 0.0000 0.0000 34414.0668 -148822.9924 300.5466 -183237.0592 -148720.2503 301.1339 -81.9177 -47.8796 558918.9593 -5.6786 -5.7057 PRESSURE: 4168800 23.243 122.316 -51.9972 122.316 -377.428 -14.7169 -51.9964 -14.717 -174.812 GPRESSURE: 4168800 53.8953 127.896 -35.3636 108.453 -312.883 -47.6788 -5.87376 -99.3539 -171.513 PRESSAVG: 4168800 -59.027 -9.29967 15.9651 -9.2998 -43.8741 -38.6588 15.9651 -38.6588 59.8853 GPRESSAVG: 4168800 -60.0181 -6.67465 18.045 -8.19396 -42.4477 -39.6752 16.046 -37.0244 59.8581 TIMING: 4168800 CPU: 12071.3, 0.00287994/step Wall: 12071.3, 0.00287994/step, 0.664945 hours remaining, 210.152344 MB of memory in use. ENERGY: 4168800 753.8981 2082.4181 1982.2256 122.2813 -205662.0447 17592.7732 0.0000 0.0000 34252.9889 -148875.4596 299.1399 -183128.4485 -148776.2891 300.4644 -176.3322 -143.5003 557701.3129 -14.3386 -14.2026 PRESSURE: 4169000 -295.92 100.824 183.116 100.823 -69.1072 -165.298 183.116 -165.296 -49.5572 GPRESSURE: 4169000 -261.353 130.36 178.708 57.0349 -89.8191 -34.5019 204.682 -191.377 30.861 PRESSAVG: 4169000 -10.9412 -25.9617 26.8131 -25.9617 11.1176 -41.0626 26.813 -41.0627 -26.396 GPRESSAVG: 4169000 -10.5643 -26.6435 27.8484 -25.5076 10.4806 -39.578 24.544 -40.8375 -26.2044 TIMING: 4169000 CPU: 12071.9, 0.00288418/step Wall: 12071.9, 0.00288418/step, 0.665765 hours remaining, 210.152344 MB of memory in use. ENERGY: 4169000 784.6575 2128.3620 1980.4725 109.7590 -205846.0900 17496.6030 0.0000 0.0000 34442.6257 -148903.6104 300.7960 -183346.2360 -148809.7505 300.3847 -138.1950 -106.7705 557732.9398 -8.7399 -8.7627 PRESSURE: 4169200 -59.7136 -49.344 -42.9726 -49.3441 15.0167 117.397 -42.9734 117.396 -155.132 GPRESSURE: 4169200 -28.4577 -88.6647 -111.635 -2.20992 54.9004 74.7341 -4.56397 135.925 -131.013 PRESSAVG: 4169200 -14.3755 -11.6313 19.0488 -11.6312 54.12 2.92745 19.0488 2.92748 -32.152 GPRESSAVG: 4169200 -15.1943 -12.6591 16.7368 -12.717 55.195 1.7815 19.8002 3.18589 -32.0965 TIMING: 4169200 CPU: 12072.4, 0.00289637/step Wall: 12072.4, 0.00289637/step, 0.668417 hours remaining, 210.152344 MB of memory in use. ENERGY: 4169200 732.5261 2111.0541 1962.8321 121.2357 -205698.7109 17554.8098 0.0000 0.0000 34214.6316 -149001.6214 298.8049 -183216.2530 -148904.6484 299.8949 -66.6096 -34.8567 558570.7361 2.5308 2.6347 PRESSURE: 4169400 5.23966 -93.4456 -68.0703 -93.4465 -34.0483 110.881 -68.0701 110.881 -21.8201 GPRESSURE: 4169400 -5.49966 -119.293 7.81721 -170.499 -0.0990208 102.237 -108.611 102.423 52.269 PRESSAVG: 4169400 -37.8977 12.2544 7.92803 12.2543 50.5393 50.6445 7.92808 50.6444 -35.0344 GPRESSAVG: 4169400 -38.2262 13.8145 8.55401 13.0646 50.1891 51.4403 10.0877 47.2119 -34.6322 TIMING: 4169400 CPU: 12073, 0.0028896/step Wall: 12073, 0.0028896/step, 0.666694 hours remaining, 210.152344 MB of memory in use. ENERGY: 4169400 766.6856 2124.4999 1973.2011 120.5101 -206266.0648 17936.7265 0.0000 0.0000 34525.7071 -148818.7345 301.5216 -183344.4416 -148715.5660 300.1331 -16.8763 15.5568 558477.2514 -7.4642 -7.5564 PRESSURE: 4169600 -316.618 42.076 59.2882 42.0765 -288.819 15.1161 59.2887 15.1154 -11.004 GPRESSURE: 4169600 -256.693 46.1985 29.4284 105.419 -240.45 36.5692 97.9664 7.28625 -8.00129 PRESSAVG: 4169600 7.81796 -40.4153 -9.6372 -40.4153 -19.2613 66.5536 -9.63727 66.5535 38.8536 GPRESSAVG: 4169600 7.80738 -42.1183 -8.22971 -40.0089 -18.3474 64.616 -12.1828 68.8643 37.8924 TIMING: 4169600 CPU: 12073.6, 0.00286825/step Wall: 12073.6, 0.00286825/step, 0.661609 hours remaining, 210.152344 MB of memory in use. ENERGY: 4169600 761.4603 2154.5161 1955.6262 112.8274 -205833.7661 17654.0492 0.0000 0.0000 34381.4453 -148813.8416 300.2617 -183195.2869 -148713.9641 300.8796 -205.4802 -168.3815 558278.8192 9.1368 9.1175 PRESSURE: 4169800 -114.741 142.059 196.988 142.058 -52.0901 -185.995 196.99 -185.995 -266.191 GPRESSURE: 4169800 -117.05 55.3391 191.121 123.363 -38.5858 -210 188.537 -214.406 -179.391 PRESSAVG: 4169800 -62.1612 -19.3727 28.5533 -19.3726 -24.8152 -7.23039 28.5534 -7.23047 80.6542 GPRESSAVG: 4169800 -61.6098 -20.5661 29.4114 -18.443 -26.5509 -4.14535 30.615 -7.86689 81.4163 TIMING: 4169800 CPU: 12074.2, 0.00286474/step Wall: 12074.2, 0.00286474/step, 0.660641 hours remaining, 210.152344 MB of memory in use. ENERGY: 4169800 753.5588 2095.4720 1954.2328 124.6705 -206028.2318 17697.9765 0.0000 0.0000 34484.9905 -148917.3306 301.1660 -183402.3211 -148820.5924 300.7493 -144.3407 -111.6757 558590.1445 -2.1074 -2.2481 PRESSURE: 4170000 55.3005 59.5107 66.5537 59.5115 170.71 28.1244 66.554 28.1242 -95.0432 GPRESSURE: 4170000 118.473 -49.013 53.044 114.492 178.556 8.51101 32.263 14.225 -76.3364 PRESSAVG: 4170000 5.28998 -9.92505 51.9309 -9.92496 21.1336 -33.658 51.9309 -33.6581 -29.1372 GPRESSAVG: 4170000 4.14029 -7.88694 52.8948 -11.6496 21.1781 -35.1028 49.2157 -35.3227 -28.6472 TIMING: 4170000 CPU: 12074.7, 0.00289205/step Wall: 12074.7, 0.00289205/step, 0.666778 hours remaining, 210.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4170000 736.3725 2109.1238 1958.5576 112.4846 -206334.6061 18016.0699 0.0000 0.0000 34376.8193 -149025.1784 300.2213 -183401.9977 -148928.2651 300.1046 43.6558 73.5640 556664.4763 -0.9046 -1.1096 PRESSURE: 4170200 282.677 -55.7566 63.4083 -55.7568 18.2907 111.729 63.4078 111.73 70.3532 GPRESSURE: 4170200 287.323 -110.57 99.1162 -69.5446 52.8491 201.31 62.8291 28.9151 107.818 PRESSAVG: 4170200 89.3048 46.7395 0.31613 46.7395 20.5271 -52.1276 0.316167 -52.1276 -103.132 GPRESSAVG: 4170200 89.6455 45.1488 -0.835119 49.0042 20.0664 -53.1665 0.562279 -50.2555 -103.674 TIMING: 4170200 CPU: 12075.3, 0.00288588/step Wall: 12075.3, 0.00288588/step, 0.665194 hours remaining, 210.152344 MB of memory in use. ENERGY: 4170200 748.3021 2109.9571 1972.6127 112.8368 -206225.2741 17877.7609 0.0000 0.0000 34514.7923 -148889.0122 301.4263 -183403.8045 -148793.7241 299.4765 123.7736 149.3300 556678.6837 2.2334 2.0127 PRESSURE: 4170400 -319.301 -65.042 -105.867 -65.0428 -26.2849 155.789 -105.866 155.789 100.915 GPRESSURE: 4170400 -298.118 -31.3295 -64.8767 -144.139 8.81394 70.0573 -40.7313 164.917 147.809 PRESSAVG: 4170400 -2.98332 -67.8084 9.07095 -67.8085 60.758 -10.6792 9.07098 -10.6792 -62.1009 GPRESSAVG: 4170400 -2.13545 -65.3771 9.24599 -69.9237 61.3211 -9.79068 10.7391 -11.3117 -63.3119 TIMING: 4170400 CPU: 12075.9, 0.00288091/step Wall: 12075.9, 0.00288091/step, 0.66389 hours remaining, 210.152344 MB of memory in use. ENERGY: 4170400 742.3456 2110.6860 1982.9576 118.6889 -205866.3300 17678.1034 0.0000 0.0000 34150.0524 -149083.4962 298.2409 -183233.5486 -148989.8856 299.1843 -81.5571 -47.1652 558474.6028 -1.4421 -1.3754 PRESSURE: 4170600 154.057 -114.879 71.8443 -114.879 -176.278 32.0403 71.8446 32.0405 15.0157 GPRESSURE: 4170600 157.804 -36.3056 171.948 -102.423 -145.085 39.6591 19.4796 54.2712 77.4693 PRESSAVG: 4170600 -0.893141 14.305 -18.5338 14.3049 18.4876 29.8911 -18.5338 29.8911 -4.99284 GPRESSAVG: 4170600 -1.82116 13.9323 -17.8985 14.5561 18.7186 30.1131 -19.1625 31.5283 -4.71316 TIMING: 4170600 CPU: 12076.5, 0.00289146/step Wall: 12076.5, 0.00289146/step, 0.66616 hours remaining, 210.355469 MB of memory in use. ENERGY: 4170600 762.2547 2108.9149 1966.8252 119.2076 -206271.4741 17892.8501 0.0000 0.0000 34290.1234 -149131.2983 299.4642 -183421.4218 -149037.1495 299.4144 -2.4018 30.0627 556965.3768 4.2005 4.0614 PRESSURE: 4170800 -101.212 93.4841 70.6665 93.4844 -419.38 -32.3372 70.6674 -32.3364 -234.775 GPRESSURE: 4170800 -89.54 93.4997 -23.0997 87.4075 -363.013 -40.2653 60.1234 -155.364 -199.384 PRESSAVG: 4170800 32.2285 -8.03272 26.8307 -8.03259 43.1481 10.5293 26.8309 10.5291 -103.622 GPRESSAVG: 4170800 33.4271 -9.58171 24.686 -7.85586 42.7505 10.0837 29.0758 8.15321 -104.413 TIMING: 4170800 CPU: 12077, 0.0028986/step Wall: 12077, 0.0028986/step, 0.667644 hours remaining, 210.355469 MB of memory in use. ENERGY: 4170800 744.4752 2100.4150 1955.0280 121.6795 -205956.4429 17448.5880 0.0000 0.0000 34351.5295 -149234.7278 300.0005 -183586.2573 -149143.1535 299.3418 -251.7890 -217.3122 557792.8472 -9.4150 -9.4118 PRESSURE: 4171000 -42.5183 14.496 -60.0997 14.495 85.3448 -35.2818 -60.0998 -35.28 -13.6437 GPRESSURE: 4171000 -51.5535 -1.73608 18.3207 -49.705 147.902 41.3019 -78.1381 -104.252 30.1066 PRESSAVG: 4171000 7.93267 -39.0184 4.52018 -39.0185 -60.176 20.5315 4.52009 20.5314 53.0971 GPRESSAVG: 4171000 7.5643 -37.0368 3.01742 -39.9604 -60.3471 19.6256 5.64544 22.5121 53.5697 TIMING: 4171000 CPU: 12077.6, 0.00288786/step Wall: 12077.6, 0.00288786/step, 0.66501 hours remaining, 210.355469 MB of memory in use. ENERGY: 4171000 743.1757 2063.6207 1982.9978 115.9689 -206507.0472 17912.9794 0.0000 0.0000 34463.8570 -149224.4477 300.9814 -183688.3047 -149122.6664 299.5687 9.7276 42.1518 557304.7556 0.2846 0.2623 PRESSURE: 4171200 -140.815 -114.086 -102.471 -114.087 -255.654 106.905 -102.472 106.906 -420.673 GPRESSURE: 4171200 -105.88 -144.684 -156.254 -168.938 -225.412 44.4913 -84.7827 122.304 -389.734 PRESSAVG: 4171200 -24.9395 -47.134 -17.1519 -47.1339 -2.23096 51.9191 -17.1518 51.9192 14.3519 GPRESSAVG: 4171200 -24.9184 -47.6377 -15.4343 -47.98 -1.62258 51.5749 -18.7305 51.9429 13.5381 TIMING: 4171200 CPU: 12078.2, 0.00287329/step Wall: 12078.2, 0.00287329/step, 0.661495 hours remaining, 210.355469 MB of memory in use. ENERGY: 4171200 730.3532 2144.2984 1976.2714 108.1001 -205875.6397 17482.8579 0.0000 0.0000 34175.2096 -149258.5492 298.4606 -183433.7588 -149161.9565 299.7556 -272.3808 -240.3417 559439.1094 -4.2729 -4.3343 PRESSURE: 4171400 -126.47 -274.805 129.308 -274.805 -481.68 73.8727 129.308 73.8722 81.4898 GPRESSURE: 4171400 -100.716 -156.055 128.936 -262.015 -475.104 69.6955 88.5048 91.5646 151.713 PRESSAVG: 4171400 48.883 -51.469 -15.1445 -51.4691 31.0017 40.1278 -15.1445 40.1277 -65.3391 GPRESSAVG: 4171400 48.8147 -50.9433 -15.7961 -50.22 29.9279 40.6624 -15.185 38.1198 -64.4864 TIMING: 4171400 CPU: 12078.8, 0.00287076/step Wall: 12078.8, 0.00287076/step, 0.660754 hours remaining, 210.355469 MB of memory in use. ENERGY: 4171400 765.7257 2112.4869 1963.6006 96.8688 -206033.6805 17559.6789 0.0000 0.0000 34280.3568 -149254.9628 299.3789 -183535.3196 -149154.7269 299.3854 -175.5533 -141.3688 558550.7904 4.8485 4.7520 PRESSURE: 4171600 -66.7065 142.316 -56.6403 142.316 1.50112 -83.042 -56.6425 -83.0409 -67.07 GPRESSURE: 4171600 -1.31579 171.606 -18.667 209.691 48.8848 -36.9244 -107.485 -19.3678 -79.5307 PRESSAVG: 4171600 -24.3681 -46.0262 13.6994 -46.0262 20.2603 -19.1988 13.6993 -19.1987 18.7558 GPRESSAVG: 4171600 -24.4664 -46.9746 14.4117 -47.7533 20.0461 -17.778 13.0622 -18.9449 19.2726 TIMING: 4171600 CPU: 12079.3, 0.00286867/step Wall: 12079.3, 0.00286867/step, 0.660113 hours remaining, 210.355469 MB of memory in use. ENERGY: 4171600 756.3359 2132.0394 1977.5390 115.1792 -206171.0740 17740.9859 0.0000 0.0000 34147.3303 -149301.6642 298.2171 -183448.9945 -149201.5856 299.5179 -44.0918 -10.6539 558334.3782 4.8827 4.9508 PRESSURE: 4171800 -356.79 106.299 -155.412 106.299 -298.12 21.7903 -155.411 21.7896 -216.788 GPRESSURE: 4171800 -327.045 125.006 -89.3485 145.851 -236.828 68.2057 -110.179 -61.3713 -219.332 PRESSAVG: 4171800 -20.8695 53.4655 -29.9176 53.4655 -7.72821 14.6891 -29.9175 14.6891 18.4469 GPRESSAVG: 4171800 -20.893 53.2405 -30.656 52.1359 -6.35514 13.2391 -31.7811 14.8686 17.1747 TIMING: 4171800 CPU: 12079.9, 0.0028736/step Wall: 12079.9, 0.0028736/step, 0.661088 hours remaining, 210.355469 MB of memory in use. ENERGY: 4171800 741.4096 2128.3444 1937.3892 116.9248 -205847.9026 17387.7785 0.0000 0.0000 34277.8453 -149258.2107 299.3569 -183536.0561 -149152.2565 299.5771 -290.5660 -261.0681 558572.6497 -3.3836 -3.3578 PRESSURE: 4172000 -13.6596 -81.2213 -103.7 -81.2205 50.5382 -10.9922 -103.7 -10.9896 -98.2092 GPRESSURE: 4172000 24.7485 -137.001 -70.2016 -51.294 55.5307 -75.6417 -155.594 46.8101 -39.4621 PRESSAVG: 4172000 24.4327 28.8364 7.15808 28.8364 0.630566 35.5309 7.15819 35.5309 -18.9298 GPRESSAVG: 4172000 24.8016 28.8715 8.97607 32.174 0.0218321 34.9995 8.79641 37.9687 -18.665 TIMING: 4172000 CPU: 12080.5, 0.00287177/step Wall: 12080.5, 0.00287177/step, 0.660508 hours remaining, 210.355469 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: 4172000 774.9829 2118.7364 1937.0740 103.8993 -206089.5833 17740.0061 0.0000 0.0000 34237.7870 -149177.0975 299.0071 -183414.8845 -149075.7809 299.8648 -20.4435 13.6057 556949.1825 2.0445 2.0528 PRESSURE: 4172200 411.504 -62.6201 -29.0911 -62.6199 295.998 -33.665 -29.0909 -33.6646 271.837 GPRESSURE: 4172200 472.324 -86.6704 -77.3122 -99.3536 310.276 -65.2354 12.2102 -17.4999 299.435 PRESSAVG: 4172200 19.7015 48.2444 -60.8973 48.2444 -9.48247 -23.88 -60.8973 -23.88 -41.2863 GPRESSAVG: 4172200 19.7338 48.9246 -62.4505 47.237 -10.1557 -24.6243 -59.2554 -24.5957 -40.5382 TIMING: 4172200 CPU: 12081.1, 0.00287309/step Wall: 12081.1, 0.00287309/step, 0.66065 hours remaining, 210.355469 MB of memory in use. ENERGY: 4172200 738.6758 2079.9628 1948.6196 116.7705 -206494.5156 18143.8500 0.0000 0.0000 34286.6356 -149180.0014 299.4337 -183466.6370 -149093.0235 298.9931 326.4466 360.6780 555894.2427 -10.3557 -10.3200 LDB: ============= START OF LOAD BALANCING ============== 12084.5 LDB: ============== END OF LOAD BALANCING =============== 12084.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.5 LDB: ============= START OF LOAD BALANCING ============== 12084.7 LDB: Largest compute 4773 load 0.025368 is 21.5% of average load 0.118093 LDB: Average compute 0.001728 is 1.5% of average load 0.118093 LDB: TIME 12084.7 LOAD: AVG 0.118093 MAX 0.177689 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.41 MB LDB: TIME 12084.7 LOAD: AVG 0.118093 MAX 0.177689 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.41 MB LDB: TIME 12084.7 LOAD: AVG 0.118093 MAX 0.177689 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.41 MB LDB: ============== END OF LOAD BALANCING =============== 12084.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.8 PRESSURE: 4172400 -28.2847 -187.719 15.7093 -187.719 -166.574 -70.5163 15.7089 -70.5158 149.987 GPRESSURE: 4172400 -2.24129 -107.428 -14.759 -173.79 -125.232 -147.732 76.3935 -57.9666 163.332 PRESSAVG: 4172400 37.7954 -28.9884 29.6704 -28.9885 -47.87 21.8362 29.6704 21.8361 22.4428 GPRESSAVG: 4172400 37.4845 -28.7258 31.9923 -29.3736 -47.7145 20.0714 26.8904 20.9272 22.9186 TIMING: 4172400 CPU: 12081.7, 0.00292456/step Wall: 12081.7, 0.00292456/step, 0.672324 hours remaining, 211.234375 MB of memory in use. ENERGY: 4172400 752.5851 2101.4309 1941.0161 110.5791 -206489.7796 18072.9647 0.0000 0.0000 34450.3221 -149060.8816 300.8632 -183511.2037 -148958.0602 299.8865 -14.9570 11.9530 558224.5673 4.1228 4.2295 PRESSURE: 4172600 -192.461 -36.5487 42.8819 -36.5481 128.054 -16.7858 42.8813 -16.7844 -50.9146 GPRESSURE: 4172600 -166.621 42.4455 33.5747 -40.0651 205.266 -14.5043 83.1466 31.8493 -68.4078 PRESSAVG: 4172600 -7.96378 -73.9339 38.6969 -73.934 13.7011 -12.2332 38.6969 -12.233 1.03678 GPRESSAVG: 4172600 -7.04238 -74.6808 34.2247 -73.093 13.8288 -8.98733 39.0351 -14.18 -0.613062 TIMING: 4172600 CPU: 12082.2, 0.00285522/step Wall: 12082.2, 0.00285522/step, 0.656225 hours remaining, 211.304688 MB of memory in use. ENERGY: 4172600 720.6972 2167.8763 1947.0115 111.0895 -205836.9804 17569.2162 0.0000 0.0000 34306.0579 -149015.0318 299.6033 -183321.0898 -148918.8165 300.6886 -38.4407 -9.9209 557555.8711 2.2580 2.0578 PRESSURE: 4172800 185.175 -99.2392 86.0174 -99.2381 85.4248 -46.165 86.0192 -46.1666 3.65744 GPRESSURE: 4172800 216.93 5.62202 169.066 -31.8867 132.761 -126.294 31.6625 -0.198118 32.6311 PRESSAVG: 4172800 44.9256 12.9134 -0.383743 12.9133 -17.2992 39.6139 -0.383654 39.6139 -17.1176 GPRESSAVG: 4172800 45.8352 12.8504 3.37898 13.8676 -17.9218 39.2147 0.669939 42.396 -16.9428 TIMING: 4172800 CPU: 12082.8, 0.00286658/step Wall: 12082.8, 0.00286658/step, 0.658677 hours remaining, 211.304688 MB of memory in use. ENERGY: 4172800 730.8480 2108.3060 1933.5105 116.0305 -206348.1792 17944.5873 0.0000 0.0000 34454.9575 -149059.9394 300.9037 -183514.8969 -148957.0087 300.2628 91.4191 127.4408 556785.4182 3.5029 3.6569 PRESSURE: 4173000 -2.30333 39.3163 -79.3625 39.3165 33.9147 42.0034 -79.363 42.0031 -10.5031 GPRESSURE: 4173000 11.6584 60.8315 -76.1588 -7.36063 35.6412 -5.73569 -19.7478 47.2178 61.3423 PRESSAVG: 4173000 -67.3033 22.6487 21.914 22.6486 0.0560057 -31.8365 21.914 -31.8366 49.4935 GPRESSAVG: 4173000 -68.1252 22.3587 21.8625 22.2728 0.576909 -30.0758 20.0421 -34.5289 49.6484 TIMING: 4173000 CPU: 12083.4, 0.00287826/step Wall: 12083.4, 0.00287826/step, 0.6612 hours remaining, 211.304688 MB of memory in use. ENERGY: 4173000 775.3623 2128.8779 1925.1299 119.5213 -206084.7403 17710.2612 0.0000 0.0000 34351.4093 -149074.1785 299.9994 -183425.5877 -148983.1914 299.8669 7.0361 36.2140 557080.0722 -5.9180 -5.9666 PRESSURE: 4173200 -170.731 12.5816 78.2888 12.582 176.185 -119.473 78.2882 -119.473 -131.215 GPRESSURE: 4173200 -177.739 30.1604 71.6939 31.5412 248.406 -146.261 98.8348 -193.515 -91.9756 PRESSAVG: 4173200 -45.7624 53.9612 34.8081 53.9611 54.9747 -18.3025 34.8081 -18.3025 6.06201 GPRESSAVG: 4173200 -45.4368 54.3065 33.4328 52.4576 55.218 -20.363 35.8954 -19.1728 5.11768 TIMING: 4173200 CPU: 12084, 0.00288811/step Wall: 12084, 0.00288811/step, 0.663303 hours remaining, 211.304688 MB of memory in use. ENERGY: 4173200 733.4150 2098.8149 1940.5216 117.0010 -206214.9588 17826.7212 0.0000 0.0000 34419.8125 -149078.6727 300.5968 -183498.4852 -148975.5318 299.6796 -41.9205 -7.1028 557985.7242 5.0914 4.9663 PRESSURE: 4173400 -320.353 -49.5921 -132.534 -49.592 50.1005 42.1263 -132.536 42.1281 -308.664 GPRESSURE: 4173400 -322.467 99.7998 -96.1493 -76.1652 83.5382 15.685 -113.369 61.7408 -249.694 PRESSAVG: 4173400 -5.98633 24.8878 26.4142 24.888 0.712907 -18.3111 26.4143 -18.311 21.1184 GPRESSAVG: 4173400 -6.63222 26.6384 26.3959 24.967 0.181754 -18.6849 27.2549 -14.3433 22.3883 TIMING: 4173400 CPU: 12084.5, 0.00287878/step Wall: 12084.5, 0.00287878/step, 0.660999 hours remaining, 211.304688 MB of memory in use. ENERGY: 4173400 725.2899 2093.0772 1918.2200 105.5227 -205858.8794 17730.4788 0.0000 0.0000 34366.4613 -148919.8294 300.1309 -183286.2907 -148822.1561 300.4028 -192.9722 -162.8742 560157.4563 5.2816 5.3126 PRESSURE: 4173600 -317.106 7.81363 -92.457 7.81273 -287.847 -79.4605 -92.4583 -79.4589 -113.692 GPRESSURE: 4173600 -246.116 20.3264 -95.39 23.6303 -264.548 -95.5152 -95.3165 -174.138 -101.899 PRESSAVG: 4173600 -29.8172 53.3216 64.8056 53.3217 65.7045 -60.0581 64.8056 -60.0581 -16.2361 GPRESSAVG: 4173600 -30.1373 51.0083 63.3507 52.5528 66.7306 -58.9204 65.1175 -62.9028 -17.1043 TIMING: 4173600 CPU: 12085.1, 0.00287358/step Wall: 12085.1, 0.00287358/step, 0.659646 hours remaining, 211.304688 MB of memory in use. ENERGY: 4173600 818.5119 2063.6964 1975.0047 107.1092 -205608.2939 17614.7497 0.0000 0.0000 34034.9201 -148994.3019 297.2354 -183029.2220 -148899.1249 299.7959 -239.5481 -204.1875 559217.3690 6.5504 6.4963 PRESSURE: 4173800 -413.038 -29.447 -62.3029 -29.4461 -43.1103 -44.9086 -62.3046 -44.9089 36.2163 GPRESSURE: 4173800 -371.136 15.0324 -14.8553 -94.6249 -30.1129 -62.7559 -41.917 -23.151 90.2075 PRESSAVG: 4173800 -74.5451 -3.02901 35.5631 -3.02903 11.8067 -39.1027 35.5629 -39.1028 -5.6338 GPRESSAVG: 4173800 -74.5478 -3.54834 37.3328 -1.99031 10.5374 -38.9421 33.8205 -39.5445 -4.86812 TIMING: 4173800 CPU: 12085.7, 0.00289209/step Wall: 12085.7, 0.00289209/step, 0.663735 hours remaining, 211.304688 MB of memory in use. ENERGY: 4173800 775.8785 2094.9953 1977.8972 110.6059 -205777.1141 17621.0555 0.0000 0.0000 34200.0934 -148996.5884 298.6779 -183196.6818 -148900.7152 299.3362 -139.9772 -103.6803 558432.6551 -22.7907 -22.9595 PRESSURE: 4174000 -318.642 214.01 -23.4526 214.01 97.3843 -144.281 -23.4509 -144.282 -10.2552 GPRESSURE: 4174000 -289.084 205.003 59.6881 198.376 122.029 -89.6356 -115.208 -178.954 31.5359 PRESSAVG: 4174000 -38.125 14.1122 7.21859 14.1122 -22.1903 -6.96414 7.21855 -6.96408 53.3523 GPRESSAVG: 4174000 -38.4511 14.638 8.38719 15.4652 -21.4239 -4.48895 6.32173 -9.1752 53.0852 TIMING: 4174000 CPU: 12086.3, 0.00287318/step Wall: 12086.3, 0.00287318/step, 0.659235 hours remaining, 211.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4174000 773.1328 2038.5891 1926.1977 114.8111 -205999.7705 17731.6478 0.0000 0.0000 34364.9051 -149050.4871 300.1173 -183415.3922 -148950.6748 299.3472 -77.1709 -45.1730 558640.6063 -2.3210 -2.2633 PRESSURE: 4174200 129.8 -168.581 -75.3046 -168.58 -207.556 -59.1887 -75.3064 -59.19 350.419 GPRESSURE: 4174200 126.9 -154.025 26.1517 -199.195 -131.099 1.57229 -80.0903 -78.2215 374.884 PRESSAVG: 4174200 -39.727 -7.38908 -21.019 -7.3891 -10.604 -8.0718 -21.019 -8.07181 69.5366 GPRESSAVG: 4174200 -38.6381 -9.28364 -23.0031 -7.3877 -11.3738 -11.001 -16.4214 -6.3993 68.7401 TIMING: 4174200 CPU: 12086.8, 0.00287128/step Wall: 12086.8, 0.00287128/step, 0.65864 hours remaining, 211.304688 MB of memory in use. ENERGY: 4174200 790.6059 2129.1678 1929.7742 114.5837 -206423.0724 18075.7126 0.0000 0.0000 34362.4840 -149020.7444 300.0961 -183383.2283 -148927.4476 300.1744 90.8874 123.5618 557205.2937 6.4019 6.2427 PRESSURE: 4174400 -133.252 79.187 -105.423 79.1865 -159.218 -82.598 -105.423 -82.5987 95.6026 GPRESSURE: 4174400 -79.0356 70.0113 -217.279 57.6979 -95.3028 -86.6059 -70.1063 -32.3664 90.8216 PRESSAVG: 4174400 -75.1333 8.25045 -42.1145 8.25046 -15.9732 -7.20032 -42.1144 -7.20042 109.524 GPRESSAVG: 4174400 -76.4626 9.69431 -42.3042 7.76976 -15.2013 -7.33244 -44.9919 -5.26189 109.302 TIMING: 4174400 CPU: 12087.4, 0.00288376/step Wall: 12087.4, 0.00288376/step, 0.661342 hours remaining, 211.304688 MB of memory in use. ENERGY: 4174400 751.0953 2137.0625 1942.9338 100.8761 -206343.1826 17764.5705 0.0000 0.0000 34532.5703 -149114.0741 301.5815 -183646.6444 -149010.3464 300.0749 -65.6225 -27.8389 557880.0325 6.1393 5.8795 PRESSURE: 4174600 -259.565 4.8199 -162.136 4.82021 -280.304 95.7509 -162.136 95.751 -142.407 GPRESSURE: 4174600 -181.91 -42.0621 -214.44 -11.1859 -242.976 48.5893 -134.346 92.624 -156.704 PRESSAVG: 4174600 12.7905 -20.4058 -36.2611 -20.4059 -3.19174 -37.0099 -36.261 -37.0098 27.8474 GPRESSAVG: 4174600 13.4554 -21.9018 -35.2874 -19.6168 -4.74678 -37.1387 -35.7166 -36.1312 28.361 TIMING: 4174600 CPU: 12088, 0.00291344/step Wall: 12088, 0.00291343/step, 0.667986 hours remaining, 211.304688 MB of memory in use. ENERGY: 4174600 742.4426 2093.8175 1940.5728 107.4152 -205602.5404 17389.3061 0.0000 0.0000 34209.0000 -149119.9862 298.7557 -183328.9861 -149025.0674 300.5089 -227.4255 -193.8633 557931.9400 12.4821 12.3565 PRESSURE: 4174800 -211.42 13.2248 -82.3827 13.2254 -362.073 -10.6921 -82.3816 -10.6913 -288.657 GPRESSURE: 4174800 -213.51 -61.3932 -78.6524 37.7421 -317.97 -17.6195 -84.8643 -53.5363 -248.753 PRESSAVG: 4174800 -7.52864 -5.67337 -14.3991 -5.67334 18.6236 -28.0761 -14.399 -28.076 -12.982 GPRESSAVG: 4174800 -8.44165 -5.33295 -13.9368 -6.54188 18.9251 -27.821 -15.2353 -30.0435 -12.9771 TIMING: 4174800 CPU: 12088.6, 0.00289164/step Wall: 12088.6, 0.00289164/step, 0.662828 hours remaining, 211.304688 MB of memory in use. ENERGY: 4174800 790.9092 2083.6023 1949.5007 101.9773 -205510.4641 17198.1843 0.0000 0.0000 34398.7691 -148987.5211 300.4130 -183386.2902 -148896.6723 299.8572 -287.3831 -260.0776 557501.3172 -0.6290 -0.8312 PRESSURE: 4175000 -102.922 -99.8923 34.4262 -99.8924 232.749 -14.1323 34.4269 -14.1314 -111.924 GPRESSURE: 4175000 -3.4995 -17.376 -18.8611 -96.3261 224.437 -100.241 8.61017 27.2672 -108.008 PRESSAVG: 4175000 84.2374 9.33455 -16.1248 9.33456 2.80683 -50.3366 -16.1247 -50.3366 -69.2135 GPRESSAVG: 4175000 85.1225 9.99862 -16.8339 8.84962 2.1399 -51.6609 -16.7386 -49.0286 -69.4596 TIMING: 4175000 CPU: 12089.1, 0.00288184/step Wall: 12089.1, 0.00288184/step, 0.660421 hours remaining, 211.562500 MB of memory in use. ENERGY: 4175000 768.6188 2105.0687 1923.6887 116.8890 -206340.3622 17904.1743 0.0000 0.0000 34408.1416 -149113.7811 300.4949 -183521.9227 -149018.6394 299.5994 5.9676 37.6432 557363.3143 5.9436 5.9343 PRESSURE: 4175200 -39.3355 75.2297 126.409 75.229 -1.40383 -120.122 126.41 -120.123 -170.194 GPRESSURE: 4175200 -27.0618 74.1991 18.6543 50.0219 74.8032 -122.854 180.256 -122.466 -161.701 PRESSAVG: 4175200 14.3442 10.1267 -1.18189 10.1267 74.796 -30.2739 -1.18185 -30.274 -91.6997 GPRESSAVG: 4175200 14.1261 8.26297 0.795638 10.8876 75.4393 -28.2208 0.633939 -31.2883 -92.0363 TIMING: 4175200 CPU: 12089.7, 0.00289682/step Wall: 12089.7, 0.00289682/step, 0.663694 hours remaining, 211.562500 MB of memory in use. ENERGY: 4175200 751.9170 2027.8000 1960.1784 107.4831 -205880.4878 17684.2281 0.0000 0.0000 34305.3893 -149043.4918 299.5975 -183348.8811 -148950.1106 299.3560 -70.3111 -37.9864 557122.5715 -0.8532 -0.8237 PRESSURE: 4175400 -216.643 -5.24993 -52.0522 -5.25008 -1.76051 -51.7844 -52.0523 -51.7841 -103.964 GPRESSURE: 4175400 -164.129 -40.0738 1.41425 -10.1688 0.704756 -58.6928 -79.0721 -19.869 -50.364 PRESSAVG: 4175400 15.1712 -12.8546 18.0199 -12.8545 49.4729 -7.28423 18.0197 -7.28422 -60.866 GPRESSAVG: 4175400 15.328 -11.4683 17.1193 -12.1909 49.3752 -7.71017 16.4282 -7.24807 -60.8127 TIMING: 4175400 CPU: 12090.3, 0.00288253/step Wall: 12090.3, 0.00288253/step, 0.660259 hours remaining, 211.562500 MB of memory in use. ENERGY: 4175400 769.4569 2044.3372 1949.5075 127.6903 -206064.7619 17759.7481 0.0000 0.0000 34404.1420 -149009.8798 300.4599 -183414.0219 -148920.0873 299.8662 -107.4561 -71.2626 557095.7974 1.2594 1.2968 PRESSURE: 4175600 127.241 63.0537 -27.5374 63.0536 108.457 105.596 -27.5371 105.595 -215.377 GPRESSURE: 4175600 117.491 127.437 -15.3321 17.2464 145.847 113.603 -14.286 24.0773 -151.73 PRESSAVG: 4175600 38.1212 7.10889 -24.2323 7.10901 -18.2529 28.5006 -24.2323 28.5005 -32.0327 GPRESSAVG: 4175600 38.518 7.28661 -22.7068 6.7595 -19.4674 27.3135 -26.1829 28.2479 -31.374 TIMING: 4175600 CPU: 12090.9, 0.00288773/step Wall: 12090.9, 0.00288773/step, 0.66129 hours remaining, 211.562500 MB of memory in use. ENERGY: 4175600 733.8065 2096.2899 1967.3696 105.6943 -206338.6777 17901.4837 0.0000 0.0000 34258.2950 -149275.7388 299.1862 -183534.0338 -149186.5793 299.5332 6.7737 37.2028 557265.8045 -4.0548 -4.1078 PRESSURE: 4175800 -131.263 -163.977 -87.9366 -163.978 -82.246 135.911 -87.936 135.912 -48.5542 GPRESSURE: 4175800 -44.2632 -192.414 -116.089 -265.717 -115.49 148.001 -52.1546 207.172 -13.0412 PRESSAVG: 4175800 50.3378 6.37053 41.2873 6.37053 -4.86827 -11.1126 41.2873 -11.1126 -11.0951 GPRESSAVG: 4175800 49.9073 6.62878 37.618 5.32854 -3.77379 -10.1658 42.9229 -11.5285 -11.7681 TIMING: 4175800 CPU: 12091.5, 0.00288529/step Wall: 12091.5, 0.00288529/step, 0.660572 hours remaining, 211.562500 MB of memory in use. ENERGY: 4175800 719.2436 2063.2829 1964.1776 99.7625 -205958.6770 17662.7921 0.0000 0.0000 34196.3320 -149253.0864 298.6451 -183449.4184 -149154.8521 299.5050 -87.3546 -57.5982 558244.5278 11.4581 11.4551 PRESSURE: 4176000 38.7609 -86.4119 22.7902 -86.411 -147.385 18.8668 22.7901 18.8669 -249.366 GPRESSURE: 4176000 63.5656 -174.285 34.8389 -126.961 -109.869 46.7782 12.3557 72.7828 -212.574 PRESSAVG: 4176000 -18.3813 -7.87712 -11.6237 -7.87713 28.6362 65.6867 -11.6236 65.6866 -4.58774 GPRESSAVG: 4176000 -17.4537 -11.0848 -10.4606 -8.50429 27.0909 66.182 -10.7607 65.4755 -3.9948 TIMING: 4176000 CPU: 12092, 0.00288512/step Wall: 12092, 0.00288512/step, 0.660372 hours remaining, 211.562500 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: 4176000 731.9966 2080.3080 1927.8587 108.9007 -206133.5583 17653.5210 0.0000 0.0000 34342.3715 -149288.6018 299.9205 -183630.9733 -149191.1516 299.1482 -119.3301 -86.2925 557584.2318 1.8891 1.8808 PRESSURE: 4176200 -130.968 -158.85 -32.9454 -158.851 344.534 135.413 -32.9457 135.414 -79.9808 GPRESSURE: 4176200 -26.5835 -90.3675 -59.6943 -183.605 302.905 141.201 -43.4576 123.311 -41.2204 PRESSAVG: 4176200 11.2107 -3.186 -12.0944 -3.18606 93.6284 16.1962 -12.0944 16.1963 -88.6745 GPRESSAVG: 4176200 10.8209 0.0463986 -9.95956 -2.45302 94.5863 14.1461 -13.3426 17.3724 -89.4655 TIMING: 4176200 CPU: 12092.6, 0.00286431/step Wall: 12092.6, 0.00286431/step, 0.655449 hours remaining, 211.562500 MB of memory in use. ENERGY: 4176200 724.9580 2061.9740 1933.9267 104.9900 -206383.3503 17889.2336 0.0000 0.0000 34288.4101 -149379.8579 299.4492 -183668.2680 -149280.9384 298.5836 44.5286 78.3670 557128.7590 5.3882 5.3139 LDB: ============= START OF LOAD BALANCING ============== 12096 LDB: ============== END OF LOAD BALANCING =============== 12096 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12096 LDB: ============= START OF LOAD BALANCING ============== 12096.3 LDB: Largest compute 4773 load 0.026808 is 22.7% of average load 0.118022 LDB: Average compute 0.001728 is 1.5% of average load 0.118022 LDB: TIME 12096.3 LOAD: AVG 0.118022 MAX 0.180496 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.398 MB LDB: TIME 12096.3 LOAD: AVG 0.118022 MAX 0.180496 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.641 MB LDB: TIME 12096.3 LOAD: AVG 0.118022 MAX 0.180496 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.641 MB LDB: ============== END OF LOAD BALANCING =============== 12096.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12096.3 PRESSURE: 4176400 68.8647 -41.1358 -46.8181 -41.1357 55.129 104.514 -46.8174 104.515 59.8623 GPRESSURE: 4176400 83.2457 -44.2979 -50.1246 -52.9702 48.0632 101.501 -114.745 119.641 159.907 PRESSAVG: 4176400 -5.88225 -77.5126 5.40336 -77.5127 100.027 19.3711 5.40339 19.3711 -60.401 GPRESSAVG: 4176400 -5.85869 -78.0118 5.51853 -77.0717 100.43 22.0456 4.08881 19.3718 -60.4661 TIMING: 4176400 CPU: 12093.2, 0.00294415/step Wall: 12093.2, 0.00294415/step, 0.673557 hours remaining, 210.898438 MB of memory in use. ENERGY: 4176400 710.4317 2050.3589 1921.3078 106.0560 -206285.9769 17862.8971 0.0000 0.0000 34245.7894 -149389.1360 299.0770 -183634.9254 -149299.8732 298.7416 61.2853 97.0721 558194.0408 11.2479 11.3684 PRESSURE: 4176600 -268.195 -35.7824 -124.687 -35.7815 -144.692 16.0537 -124.687 16.0543 52.2496 GPRESSURE: 4176600 -242.575 -105.106 -49.7825 -24.3385 -77.3243 42.2042 -102.898 25.3083 66.78 PRESSAVG: 4176600 18.0142 -39.2968 -51.0169 -39.2967 55.9708 -15.1067 -51.0168 -15.1067 6.7047 GPRESSAVG: 4176600 17.9008 -39.1649 -53.0319 -39.4798 55.7487 -17.6979 -49.5453 -16.6476 7.01364 TIMING: 4176600 CPU: 12093.8, 0.00288148/step Wall: 12093.8, 0.00288148/step, 0.659058 hours remaining, 211.101562 MB of memory in use. ENERGY: 4176600 705.3174 2060.5034 1954.3300 106.9095 -205943.9303 17567.8309 0.0000 0.0000 34322.0330 -149227.0062 299.7429 -183549.0392 -149126.5963 299.3869 -120.2124 -84.3731 557158.2851 26.8966 26.8877 PRESSURE: 4176800 88.9836 52.0842 -78.9126 52.085 20.32 4.90423 -78.9128 4.90562 -53.9985 GPRESSURE: 4176800 114.924 -27.105 -85.3612 77.4426 75.3724 -60.4146 -68.4216 36.2119 -36.5966 PRESSAVG: 4176800 64.4293 9.78587 -51.5513 9.78592 -41.5306 -34.0393 -51.5514 -34.0392 -34.1112 GPRESSAVG: 4176800 64.6261 10.6135 -52.5219 9.38079 -41.9018 -32.5497 -50.8188 -32.8065 -34.209 TIMING: 4176800 CPU: 12094.3, 0.00286233/step Wall: 12094.3, 0.00286233/step, 0.65452 hours remaining, 211.101562 MB of memory in use. ENERGY: 4176800 752.1538 2088.7724 1934.0022 119.2266 -206083.8748 17867.9662 0.0000 0.0000 34084.9335 -149236.8202 297.6722 -183321.7536 -149146.2123 299.8371 18.4350 51.2334 556514.0106 -3.7375 -3.8282 PRESSURE: 4177000 -1.70999 -22.3883 39.6392 -22.3876 185.871 -107.886 39.6384 -107.887 55.1046 GPRESSURE: 4177000 22.0479 14.1573 27.5992 10.0393 227.755 -24.64 30.0693 -168.197 93.9935 PRESSAVG: 4177000 10.1635 -2.87267 48.397 -2.87272 46.9144 17.7704 48.397 17.7705 -28.3135 GPRESSAVG: 4177000 9.31092 -4.22979 48.6036 -2.23688 46.8964 18.7449 48.3908 16.8527 -28.2644 TIMING: 4177000 CPU: 12094.9, 0.00287135/step Wall: 12094.9, 0.00287134/step, 0.656421 hours remaining, 211.265625 MB of memory in use. ENERGY: 4177000 719.2498 2064.1535 1936.5915 119.8797 -206198.5631 17913.5045 0.0000 0.0000 34464.8195 -148980.3647 300.9898 -183445.1841 -148885.5883 299.5596 79.7551 114.5988 555514.7004 9.5881 9.3143 PRESSURE: 4177200 -2.67589 127.332 -76.0514 127.333 53.5261 37.5698 -76.0517 37.5693 87.6838 GPRESSURE: 4177200 49.1625 127.966 -192.244 125.49 81.8637 18.9054 -53.6261 9.07396 107.87 PRESSAVG: 4177200 42.2861 -13.3605 -40.0406 -13.3605 -1.00008 -20.7172 -40.0406 -20.7172 -32.6854 GPRESSAVG: 4177200 42.0663 -12.3109 -41.1447 -13.3473 -0.425361 -22.2461 -40.6536 -20.4473 -32.5049 TIMING: 4177200 CPU: 12095.5, 0.00287957/step Wall: 12095.5, 0.00287957/step, 0.658141 hours remaining, 211.265625 MB of memory in use. ENERGY: 4177200 740.1494 2085.2492 1961.2897 118.6818 -206006.0686 17770.1586 0.0000 0.0000 34357.1566 -148973.3832 300.0496 -183330.5398 -148874.6218 300.1162 46.1780 79.6321 556497.7070 2.8669 3.0453 PRESSURE: 4177400 -241.194 -47.1508 -22.2826 -47.151 129.827 35.9355 -22.2824 35.9375 66.88 GPRESSURE: 4177400 -183.39 -59.4431 -25.9992 -65.2216 133.307 -19.6413 19.4516 -0.0955472 108.255 PRESSAVG: 4177400 -37.4317 9.18124 -21.743 9.1812 47.8311 36.011 -21.743 36.0111 10.6087 GPRESSAVG: 4177400 -36.1915 8.87495 -20.5667 9.26427 47.0777 38.1334 -21.7589 36.8769 10.1371 TIMING: 4177400 CPU: 12096.1, 0.00287232/step Wall: 12096.1, 0.00287232/step, 0.656325 hours remaining, 211.265625 MB of memory in use. ENERGY: 4177400 709.6219 2085.5042 1914.5448 112.2826 -205762.1196 17556.5819 0.0000 0.0000 34340.7113 -149042.8730 299.9060 -183383.5843 -148944.3049 300.0226 -14.8290 19.3908 556639.3215 7.0027 7.0078 PRESSURE: 4177600 -60.9092 -68.1504 54.9128 -68.1514 12.5611 230.411 54.9139 230.409 213.678 GPRESSURE: 4177600 26.5636 -55.4589 77.5572 -131.117 29.5173 202.925 41.9654 217.049 207.13 PRESSAVG: 4177600 -4.91919 -13.8874 14.5285 -13.8874 -17.2572 29.7493 14.5285 29.7493 9.82526 GPRESSAVG: 4177600 -5.48926 -14.9058 15.7952 -14.2675 -16.3964 28.601 13.7542 29.5225 9.8095 TIMING: 4177600 CPU: 12096.6, 0.00288117/step Wall: 12096.6, 0.00288117/step, 0.658188 hours remaining, 211.265625 MB of memory in use. ENERGY: 4177600 706.9467 2014.3683 1956.7052 113.9488 -206039.8113 17798.4813 0.0000 0.0000 34397.3444 -149052.0164 300.4006 -183449.3608 -148950.5419 299.8638 55.1100 87.7369 557348.7803 -4.1171 -4.0254 PRESSURE: 4177800 -36.2377 -37.9754 -31.2611 -37.9749 -146.957 89.6761 -31.2611 89.677 -53.4033 GPRESSURE: 4177800 -29.4454 3.21501 -90.0176 -64.9974 -92.5259 70.0166 34.9846 -6.92543 -14.0377 PRESSAVG: 4177800 -30.3056 24.9658 -31.8006 24.9658 28.0414 24.7695 -31.8006 24.7696 32.6579 GPRESSAVG: 4177800 -30.2357 24.6054 -34.1825 23.6743 27.5955 23.7462 -31.4741 25.4944 33.4408 TIMING: 4177800 CPU: 12097.2, 0.00287218/step Wall: 12097.2, 0.00287218/step, 0.655974 hours remaining, 211.265625 MB of memory in use. ENERGY: 4177800 741.7669 2119.2851 1939.7141 112.8121 -206296.7582 17815.0561 0.0000 0.0000 34402.2743 -149165.8496 300.4436 -183568.1239 -149066.0617 300.0282 -78.8660 -45.3364 558192.5392 10.1312 10.2669 PRESSURE: 4178000 -43.0068 80.4085 -77.4736 80.4084 -170.345 -15.2635 -77.4734 -15.2642 -136.143 GPRESSURE: 4178000 -34.4852 68.7051 24.5867 95.6593 -138.402 44.265 -120.504 -55.1655 -82.325 PRESSAVG: 4178000 17.7237 11.3738 -1.69884 11.3737 24.8925 39.2788 -1.69888 39.2789 -4.82213 GPRESSAVG: 4178000 16.2812 12.1403 0.566 10.9438 24.8329 38.6703 -2.44673 37.2488 -3.98456 TIMING: 4178000 CPU: 12097.8, 0.00287148/step Wall: 12097.8, 0.00287148/step, 0.655654 hours remaining, 211.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4178000 741.3550 2098.9922 1927.1527 111.3866 -205985.5848 17661.3831 0.0000 0.0000 34344.9740 -149100.3410 299.9432 -183445.3150 -149004.5556 299.6861 -116.4981 -85.0708 558664.5685 12.5980 12.3765 PRESSURE: 4178200 -69.5845 107.989 -34.7138 107.99 -237.749 54.6341 -34.7132 54.6335 -204.862 GPRESSURE: 4178200 -80.8064 167.998 -12.5318 43.7457 -193.841 63.4458 -91.8235 164.618 -141.272 PRESSAVG: 4178200 31.7681 10.623 25.0411 10.6231 10.4956 45.5328 25.0413 45.5328 -75.4699 GPRESSAVG: 4178200 32.7388 10.0864 22.5588 11.069 10.8748 47.7029 24.888 48.1427 -77.0579 TIMING: 4178200 CPU: 12098.4, 0.00287536/step Wall: 12098.4, 0.00287536/step, 0.656381 hours remaining, 211.265625 MB of memory in use. ENERGY: 4178200 774.5964 2055.9303 1951.6097 106.6155 -206034.2648 17661.1917 0.0000 0.0000 34233.5318 -149250.7894 298.9699 -183484.3212 -149148.9910 299.6723 -170.7318 -138.6400 557115.1866 -11.0687 -11.1481 PRESSURE: 4178400 161.927 -1.80315 -51.35 -1.80387 313.732 -10.7948 -51.3496 -10.7972 -158.62 GPRESSURE: 4178400 205.673 -109.243 -24.423 40.4136 321.407 -75.5103 -72.8405 81.9702 -111.382 PRESSAVG: 4178400 15.6347 32.2319 -56.5154 32.2319 -2.40384 64.2489 -56.5155 64.2487 8.0656 GPRESSAVG: 4178400 15.3511 30.4235 -55.2453 33.0391 -1.91827 64.0939 -57.1125 63.8116 7.86834 TIMING: 4178400 CPU: 12098.9, 0.00288792/step Wall: 12098.9, 0.00288792/step, 0.659087 hours remaining, 211.265625 MB of memory in use. ENERGY: 4178400 740.3328 2083.8567 1929.7587 122.5395 -206408.4880 17976.2330 0.0000 0.0000 34241.7875 -149313.9799 299.0420 -183555.7674 -149224.1779 299.2374 105.6795 138.5662 556231.5459 7.0988 7.1004 PRESSURE: 4178600 -47.4834 16.9148 -30.1863 16.9137 -80.7218 -255.824 -30.187 -255.824 -230.775 GPRESSURE: 4178600 -42.4229 79.3039 -45.074 -20.0121 -29.0341 -169.733 -26.9083 -315.493 -186.293 PRESSAVG: 4178600 -4.41399 12.6094 -7.02021 12.6094 79.9981 22.346 -7.02023 22.346 -47.7632 GPRESSAVG: 4178600 -3.95318 14.9847 -6.76636 9.5487 80.1767 20.5206 -4.41183 21.8377 -48.007 TIMING: 4178600 CPU: 12099.5, 0.0028886/step Wall: 12099.5, 0.0028886/step, 0.659082 hours remaining, 211.265625 MB of memory in use. ENERGY: 4178600 789.2386 2080.0846 1921.9231 114.2086 -206114.0822 17637.2327 0.0000 0.0000 34283.6504 -149287.7442 299.4076 -183571.3946 -149203.6589 298.9241 -119.6599 -85.9166 556860.5553 9.2737 9.4055 PRESSURE: 4178800 115.336 0.489717 73.2162 0.490278 -46.648 0.607415 73.2158 0.608108 3.7324 GPRESSURE: 4178800 145.901 40.7826 7.97791 -97.4141 -61.715 72.3361 99.6069 98.529 81.6499 PRESSAVG: 4178800 58.325 32.076 -28.6778 32.076 -20.7867 63.4846 -28.6778 63.4845 -13.4121 GPRESSAVG: 4178800 57.2761 31.4911 -28.2333 33.5924 -19.5899 67.1866 -29.221 63.5693 -13.906 TIMING: 4178800 CPU: 12100.1, 0.00287137/step Wall: 12100.1, 0.00287137/step, 0.65499 hours remaining, 211.265625 MB of memory in use. ENERGY: 4178800 760.3491 2082.8261 1930.5816 113.6592 -206061.8264 17776.2714 0.0000 0.0000 34372.5574 -149025.5815 300.1841 -183398.1389 -148935.0361 299.2556 24.1401 55.2786 556773.7677 8.0421 7.9267 PRESSURE: 4179000 191.42 61.1416 179.049 61.142 -19.3524 68.1963 179.051 68.1974 -162.663 GPRESSURE: 4179000 283.446 31.4245 112.551 55.226 -16.7867 98.321 140.473 77.1571 -158.316 PRESSAVG: 4179000 51.7959 38.3911 -7.80732 38.391 -14.0195 -17.4185 -7.8074 -17.4185 -0.923471 GPRESSAVG: 4179000 51.9485 39.1222 -8.62197 37.6341 -14.962 -18.2429 -7.51363 -18.4595 -0.328819 TIMING: 4179000 CPU: 12100.7, 0.00286347/step Wall: 12100.7, 0.00286347/step, 0.65303 hours remaining, 211.265625 MB of memory in use. ENERGY: 4179000 727.4244 2045.4961 1952.8532 115.9598 -206217.8136 17882.6409 0.0000 0.0000 34455.7868 -149037.6525 300.9110 -183493.4393 -148941.2043 299.9942 3.1348 36.1146 557275.6223 12.2843 12.2192 PRESSURE: 4179200 137.983 -91.2301 82.0823 -91.2303 -77.0305 68.4663 82.0825 68.4661 -199.351 GPRESSURE: 4179200 156.953 -72.2941 43.4514 -66.1242 -56.2604 94.0749 179.907 -38.8612 -150.385 PRESSAVG: 4179200 75.4846 -57.4876 -13.1032 -57.4877 -5.60027 -7.96133 -13.1032 -7.96134 -57.3662 GPRESSAVG: 4179200 76.1408 -56.3283 -12.0459 -56.9068 -5.41101 -8.55404 -14.732 -7.13004 -58.3779 TIMING: 4179200 CPU: 12101.2, 0.00287917/step Wall: 12101.2, 0.00287917/step, 0.65645 hours remaining, 211.265625 MB of memory in use. ENERGY: 4179200 739.5572 2139.3465 1945.1640 102.7307 -205993.6694 17583.9329 0.0000 0.0000 34282.8573 -149200.0808 299.4007 -183482.9380 -149107.3076 299.4909 -46.1328 -16.5640 556102.4823 4.1727 4.1173 PRESSURE: 4179400 -51.416 -65.5008 2.53381 -65.5003 -71.1007 35.2839 2.53328 35.284 -495.127 GPRESSURE: 4179400 40.0786 0.430422 -3.16758 -152.589 -53.4371 16.6015 7.0566 35.6571 -501.342 PRESSAVG: 4179400 9.44249 -22.4881 -19.5747 -22.4881 -6.56827 -54.7238 -19.5746 -54.724 -17.2865 GPRESSAVG: 4179400 8.67087 -23.0584 -21.7548 -22.0105 -6.62195 -53.9323 -16.7281 -56.9474 -16.2777 TIMING: 4179400 CPU: 12101.8, 0.00288227/step Wall: 12101.8, 0.00288227/step, 0.656997 hours remaining, 211.265625 MB of memory in use. ENERGY: 4179400 767.9847 2038.2377 1954.4636 100.6639 -205956.5263 17562.3673 0.0000 0.0000 34245.5558 -149287.2533 299.0750 -183532.8091 -149195.2299 298.7690 -205.8811 -171.5668 558357.8101 -4.8041 -4.7429 PRESSURE: 4179600 -77.3362 205.678 -111.814 205.678 -271.373 -66.984 -111.814 -66.983 116.329 GPRESSURE: 4179600 -70.2394 230.389 -135.359 234.411 -216.544 -69.8327 -110.298 77.2031 151.804 PRESSAVG: 4179600 -6.77276 2.52313 -28.5056 2.52313 35.9918 2.1533 -28.5056 2.15321 -38.0448 GPRESSAVG: 4179600 -6.27618 3.05384 -26.9977 2.23383 35.4359 1.23629 -30.1879 5.03053 -38.3901 TIMING: 4179600 CPU: 12102.4, 0.00288219/step Wall: 12102.4, 0.00288219/step, 0.656819 hours remaining, 211.265625 MB of memory in use. ENERGY: 4179600 733.4960 2116.4004 1944.2043 106.6773 -206004.6308 17717.2691 0.0000 0.0000 34200.6450 -149185.9387 298.6827 -183386.5837 -149090.5554 298.8578 -77.4602 -44.9932 558836.9329 -2.9419 -3.0768 PRESSURE: 4179800 20.4547 -37.849 -152.835 -37.8483 124.176 74.7325 -152.836 74.7321 120.281 GPRESSURE: 4179800 28.5825 -64.6716 -151.996 34.8475 181.193 23.6737 -117.967 99.1419 145.624 PRESSAVG: 4179800 -28.294 41.3091 28.4827 41.309 -15.4829 -9.14783 28.4827 -9.14793 73.8479 GPRESSAVG: 4179800 -28.9497 40.1908 27.0265 42.1681 -13.1082 -10.1522 30.737 -8.84391 72.2728 TIMING: 4179800 CPU: 12103, 0.00287735/step Wall: 12103, 0.00287735/step, 0.655555 hours remaining, 211.265625 MB of memory in use. ENERGY: 4179800 762.4907 2062.5572 1959.7575 111.6341 -206420.6528 18104.0320 0.0000 0.0000 34061.8850 -149358.2961 297.4709 -183420.1811 -149262.9541 298.5323 88.3039 118.4665 557745.2858 10.0237 10.0716 PRESSURE: 4180000 -70.596 -22.1371 -99.6306 -22.1361 -60.825 -103.524 -99.6298 -103.524 245.685 GPRESSURE: 4180000 -33.6788 82.2203 -94.3414 -32.0157 8.57186 -27.7751 -49.3503 -106.339 236.708 PRESSAVG: 4180000 -29.3066 33.5447 -10.0451 33.5447 35.0107 11.5335 -10.0452 11.5335 26.7117 GPRESSAVG: 4180000 -28.8953 34.2377 -8.76163 33.2721 34.3148 13.0173 -10.1814 10.7742 26.7602 TIMING: 4180000 CPU: 12103.5, 0.0028606/step Wall: 12103.5, 0.0028606/step, 0.651581 hours remaining, 211.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4180000 734.1855 2067.2574 1916.9810 111.4423 -206149.4160 17929.3933 0.0000 0.0000 34167.1628 -149222.9937 298.3903 -183390.1565 -149125.5425 298.4898 38.0881 70.5338 558401.0398 10.8053 10.7266 PRESSURE: 4180200 -144.497 -26.4875 15.9438 -26.4879 -203.289 18.4001 15.9448 18.4006 -265.185 GPRESSURE: 4180200 -94.5549 60.731 6.65548 -94.3695 -215.479 104.34 35.2107 -22.286 -195.704 PRESSAVG: 4180200 -55.7904 -54.6827 -16.1002 -54.6826 43.13 -23.652 -16.1002 -23.652 52.3279 GPRESSAVG: 4180200 -55.3522 -56.1214 -15.5765 -55.4378 41.1903 -25.5113 -17.1793 -23.4275 53.0418 TIMING: 4180200 CPU: 12104.1, 0.00286699/step Wall: 12104.1, 0.00286699/step, 0.652878 hours remaining, 211.273438 MB of memory in use. ENERGY: 4180200 747.7333 2036.4021 1979.9288 129.8661 -206039.9254 17564.2656 0.0000 0.0000 34245.9201 -149335.8094 299.0781 -183581.7295 -149235.3169 298.3979 -204.3237 -168.5795 558945.4369 13.2225 12.9600 LDB: ============= START OF LOAD BALANCING ============== 12107.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12107.5 LDB: =============== DONE WITH MIGRATION ================ 12107.5 LDB: ============= START OF LOAD BALANCING ============== 12107.8 LDB: Largest compute 4773 load 0.024307 is 20.6% of average load 0.117949 LDB: Average compute 0.001732 is 1.5% of average load 0.117949 LDB: TIME 12107.8 LOAD: AVG 0.117949 MAX 0.179631 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.59 MB LDB: TIME 12107.8 LOAD: AVG 0.117949 MAX 0.179631 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.59 MB LDB: TIME 12107.8 LOAD: AVG 0.117949 MAX 0.179631 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12107.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12107.8 PRESSURE: 4180400 195.838 -47.4396 123.49 -47.4382 86.0499 157.243 123.489 157.242 -137.535 GPRESSURE: 4180400 256.855 24.7197 87.6433 -113.382 101.728 128.979 8.5913 126.083 -116.783 PRESSAVG: 4180400 8.72257 23.1004 -29.3043 23.1004 24.4421 22.7822 -29.3043 22.7822 -30.6521 GPRESSAVG: 4180400 8.16596 24.5046 -31.0414 23.6174 25.0804 22.823 -29.6237 22.8383 -30.7934 TIMING: 4180400 CPU: 12104.7, 0.00295788/step Wall: 12104.7, 0.00295788/step, 0.67341 hours remaining, 210.351562 MB of memory in use. ENERGY: 4180400 716.6923 2047.5938 1960.7076 110.4050 -206331.0320 17984.6905 0.0000 0.0000 34327.8144 -149183.1284 299.7933 -183510.9428 -149083.1773 299.2920 48.1178 80.6001 557816.0454 0.8375 0.8176 PRESSURE: 4180600 232.245 146.425 66.113 146.426 192.08 -61.0787 66.1134 -61.0788 35.4286 GPRESSURE: 4180600 246.849 187.701 76.3042 120.482 270.804 -49.8291 95.2548 7.03944 38.7693 PRESSAVG: 4180600 33.7781 -4.20665 -8.87315 -4.20669 46.8121 58.4163 -8.8732 58.4163 -35.6077 GPRESSAVG: 4180600 32.8837 -3.70155 -8.31498 -6.05033 47.2569 60.1901 -10.1536 57.9879 -35.5589 TIMING: 4180600 CPU: 12105.3, 0.00287933/step Wall: 12105.3, 0.00287933/step, 0.655366 hours remaining, 210.554688 MB of memory in use. ENERGY: 4180600 729.4583 2068.2625 1958.6664 119.7817 -206330.4472 17887.3302 0.0000 0.0000 34231.2714 -149335.6768 298.9502 -183566.9481 -149247.4014 299.5843 153.2513 185.4744 557334.9971 14.9942 14.8605 PRESSURE: 4180800 129.313 100.545 46.6245 100.545 38.8948 -5.58129 46.6244 -5.58016 26.666 GPRESSURE: 4180800 107.775 93.4895 79.3282 145.364 94.541 -4.0107 -6.77752 -38.4565 88.7605 PRESSAVG: 4180800 4.97804 36.3626 35.6932 36.3627 62.0661 -21.3773 35.6932 -21.3774 -43.6413 GPRESSAVG: 4180800 5.74033 34.9143 37.368 39.6267 61.3846 -21.4831 35.8076 -21.786 -43.4068 TIMING: 4180800 CPU: 12105.9, 0.00286433/step Wall: 12105.9, 0.00286433/step, 0.651795 hours remaining, 210.554688 MB of memory in use. ENERGY: 4180800 707.5478 2042.1786 1960.4046 116.1320 -206390.4015 17806.9536 0.0000 0.0000 34222.4517 -149534.7332 298.8732 -183757.1848 -149436.6338 298.7484 64.9580 97.0256 557594.7197 7.8010 7.9061 PRESSURE: 4181000 -114.219 -120.541 -23.0598 -120.542 218.872 0.493532 -23.0603 0.493197 -154.373 GPRESSURE: 4181000 -65.5929 -198.391 -3.06965 -84.2051 256.341 -71.8133 -72.0357 -16.5353 -130.262 PRESSAVG: 4181000 33.4666 23.2455 -5.7197 23.2454 -9.22322 34.0987 -5.71972 34.0986 -35.7171 GPRESSAVG: 4181000 33.2928 22.2123 -7.3012 21.9899 -8.57461 33.5113 -4.94838 35.1692 -35.6759 TIMING: 4181000 CPU: 12106.4, 0.00286495/step Wall: 12106.4, 0.00286495/step, 0.651777 hours remaining, 210.554688 MB of memory in use. ENERGY: 4181000 755.2453 2055.0599 1964.0451 103.6896 -206106.9864 17878.8602 0.0000 0.0000 33984.3283 -149365.7579 296.7936 -183350.0863 -149268.9859 298.8768 -16.5734 20.1621 558570.2709 -3.8246 -3.6526 PRESSURE: 4181200 -51.6144 0.868509 -96.0184 0.868099 -112.936 92.1092 -96.0199 92.1094 -137.649 GPRESSURE: 4181200 -36.4704 -23.1268 -161.99 -55.9428 -61.3709 140.546 -96.5332 61.2967 -105.82 PRESSAVG: 4181200 25.068 -41.2526 8.63794 -41.2525 38.8178 22.3602 8.63789 22.3602 -31.76 GPRESSAVG: 4181200 26.185 -40.1487 7.71906 -41.12 37.9081 24.4279 8.28999 21.341 -32.6497 TIMING: 4181200 CPU: 12107, 0.00285195/step Wall: 12107, 0.00285195/step, 0.648661 hours remaining, 210.554688 MB of memory in use. ENERGY: 4181200 706.9446 2045.8588 1946.3021 113.2700 -206153.6871 17688.3526 0.0000 0.0000 34171.3316 -149481.6274 298.4267 -183652.9590 -149381.6563 298.1302 -100.7332 -67.8870 557334.9750 10.7086 10.4811 PRESSURE: 4181400 86.4955 -156.829 98.3611 -156.827 -9.28292 34.6314 98.3624 34.6318 106.692 GPRESSURE: 4181400 106.883 -97.2094 202.148 -133.189 66.6316 50.5719 68.8106 49.7917 114.328 PRESSAVG: 4181400 20.7053 26.0296 22.2782 26.0297 -2.92988 19.2921 22.2781 19.2922 -0.291216 GPRESSAVG: 4181400 20.5464 27.778 23.286 24.3059 -2.55402 15.821 22.9603 20.9215 -0.0760253 TIMING: 4181400 CPU: 12107.6, 0.0028608/step Wall: 12107.6, 0.0028608/step, 0.650513 hours remaining, 210.757812 MB of memory in use. ENERGY: 4181400 783.3974 2099.3097 1960.7689 111.3413 -207034.6434 18183.2059 0.0000 0.0000 34223.6391 -149672.9811 298.8836 -183896.6202 -149579.2974 298.3136 61.3015 95.9478 554355.1672 5.8281 5.9721 PRESSURE: 4181600 -20.5247 -136.19 8.11881 -136.191 -233.366 34.9474 8.11904 34.9476 -169.856 GPRESSURE: 4181600 17.8255 -141.887 60.8038 -186.536 -141.904 38.8111 -79.9627 18.8283 -202.108 PRESSAVG: 4181600 27.7002 -40.076 -16.815 -40.076 -12.2677 53.6644 -16.815 53.6644 -24.4414 GPRESSAVG: 4181600 28.5618 -39.8935 -16.8599 -39.5138 -12.4815 55.6851 -17.1655 52.6607 -24.9896 TIMING: 4181600 CPU: 12108.2, 0.00287601/step Wall: 12108.2, 0.00287601/step, 0.653813 hours remaining, 210.757812 MB of memory in use. ENERGY: 4181600 729.7403 2103.0308 1963.9274 104.6311 -206314.2138 17718.7739 0.0000 0.0000 34131.8316 -149562.2789 298.0818 -183694.1105 -149458.6517 298.6103 -141.2488 -108.7288 557078.2422 -3.0030 -2.9698 PRESSURE: 4181800 -139.85 -60.3509 -144.654 -60.3496 -177.661 53.8827 -144.654 53.8834 -124.568 GPRESSURE: 4181800 -113.406 -107.936 -121.529 -20.3213 -160.008 102.846 -77.4449 3.81899 -64.3 PRESSAVG: 4181800 -11.844 -38.6353 11.3054 -38.6353 9.79526 -1.21704 11.3055 -1.21697 3.19002 GPRESSAVG: 4181800 -12.1333 -40.767 12.4862 -37.6205 10.239 -2.11589 10.5014 -2.05523 3.42712 TIMING: 4181800 CPU: 12108.7, 0.00288459/step Wall: 12108.7, 0.00288459/step, 0.655603 hours remaining, 210.757812 MB of memory in use. ENERGY: 4181800 755.6702 2090.5122 1966.3591 115.7875 -206157.8617 17655.4588 0.0000 0.0000 34099.7056 -149474.3684 297.8012 -183574.0739 -149381.1098 298.4201 -147.3595 -112.5714 557827.1165 0.3804 0.5109 PRESSURE: 4182000 144.477 76.6639 -101.567 76.6631 -87.3068 157.892 -101.567 157.893 96.3981 GPRESSURE: 4182000 170.459 64.7873 -86.9259 65.0123 -32.3373 141.261 -131.948 163.743 117.737 PRESSAVG: 4182000 -15.6395 2.06162 -10.3112 2.0616 -23.1841 10.4368 -10.3111 10.4367 27.9533 GPRESSAVG: 4182000 -15.0393 2.52566 -11.5741 2.32085 -23.2573 10.6381 -8.91546 11.9889 27.2665 TIMING: 4182000 CPU: 12109.3, 0.00286967/step Wall: 12109.3, 0.00286967/step, 0.652052 hours remaining, 210.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4182000 742.8936 2100.2023 1946.0052 109.3929 -206374.3380 17858.2078 0.0000 0.0000 34006.8896 -149610.7466 296.9906 -183617.6362 -149521.8770 298.2225 51.1896 85.2864 557792.4817 -3.6234 -3.6767 PRESSURE: 4182200 -143.387 175.838 86.0142 175.839 -55.9155 -102.758 86.0139 -102.758 5.96596 GPRESSURE: 4182200 17.5348 158.061 68.4419 101.53 -119.241 -69.5589 90.7048 -55.073 -6.00545 PRESSAVG: 4182200 20.5633 -11.5642 -31.7158 -11.5641 -62.0047 6.26977 -31.7157 6.26968 -18.5539 GPRESSAVG: 4182200 20.1045 -11.9405 -31.2694 -13.9622 -62.3943 6.07529 -34.1955 7.61968 -17.853 TIMING: 4182200 CPU: 12109.9, 0.00286005/step Wall: 12109.9, 0.00286005/step, 0.649708 hours remaining, 210.757812 MB of memory in use. ENERGY: 4182200 763.7821 2100.0331 1936.6735 114.3152 -206449.8619 17923.8321 0.0000 0.0000 34061.0106 -149550.2154 297.4633 -183611.2260 -149451.6472 298.4652 -64.4456 -35.9038 557935.3424 -19.9984 -20.0476 PRESSURE: 4182400 199.339 2.48334 22.4519 2.48126 -51.0863 21.8218 22.4534 21.8216 16.2338 GPRESSURE: 4182400 223.21 22.6024 -57.1413 1.37731 31.4944 21.7498 120.222 -92.3768 12.004 PRESSAVG: 4182400 91.5438 31.5831 5.6163 31.583 -76.2767 30.1004 5.61639 30.1003 -24.4492 GPRESSAVG: 4182400 91.8471 31.5042 4.10073 32.5203 -76.0648 32.0663 7.19027 27.5117 -24.4929 TIMING: 4182400 CPU: 12110.5, 0.00288158/step Wall: 12110.5, 0.00288158/step, 0.654438 hours remaining, 210.757812 MB of memory in use. ENERGY: 4182400 759.1199 2051.4627 1938.3138 105.8908 -206966.7436 18226.0125 0.0000 0.0000 34117.5242 -149768.4196 297.9568 -183885.9438 -149672.6943 298.1732 54.8287 88.9029 558319.8235 -3.0607 -2.9035 PRESSURE: 4182600 -132.912 -56.3149 7.92614 -56.3147 -33.3016 -108.178 7.92588 -108.176 -94.0197 GPRESSURE: 4182600 -108.701 -8.49732 60.2147 -127.917 -13.369 -124.947 -7.84751 -117.228 -38.8357 PRESSAVG: 4182600 10.928 33.2865 23.852 33.2865 -29.173 -15.3177 23.852 -15.3177 56.7462 GPRESSAVG: 4182600 9.39632 33.9446 26.4441 32.3928 -28.5872 -15.7227 23.2275 -12.6703 57.5647 TIMING: 4182600 CPU: 12111, 0.00286038/step Wall: 12111, 0.00286038/step, 0.649466 hours remaining, 210.757812 MB of memory in use. ENERGY: 4182600 746.5430 2083.8234 1930.7138 100.0806 -206761.0064 17980.7046 0.0000 0.0000 34286.2323 -149632.9089 299.4302 -183919.1412 -149536.6714 298.0557 -86.7445 -53.6353 557469.2982 12.8337 12.7913 PRESSURE: 4182800 -335.059 -67.6777 99.4117 -67.6773 -52.7551 145.613 99.4117 145.61 -193.106 GPRESSURE: 4182800 -263.438 -46.8061 25.1506 -110.741 -35.0928 104.546 63.902 192.18 -195.751 PRESSAVG: 4182800 -88.5478 58.7113 -15.9598 58.7113 16.9697 93.6075 -15.9598 93.6075 47.9142 GPRESSAVG: 4182800 -87.0194 60.631 -18.4912 58.5892 16.7216 91.3511 -13.971 92.384 46.7275 TIMING: 4182800 CPU: 12111.6, 0.00286936/step Wall: 12111.6, 0.00286936/step, 0.651344 hours remaining, 210.757812 MB of memory in use. ENERGY: 4182800 733.0154 2093.5938 1938.8519 112.3345 -206058.2780 17383.8319 0.0000 0.0000 34246.5154 -149550.1351 299.0833 -183796.6505 -149447.0891 298.0285 -193.6402 -164.7606 556927.8186 -7.8880 -7.8568 PRESSURE: 4183000 81.8691 47.5806 37.3262 47.5815 -68.7475 83.9615 37.3256 83.9628 18.4321 GPRESSURE: 4183000 111.949 135.854 44.7028 30.9204 -72.7178 105.859 -31.7446 135.249 67.3973 PRESSAVG: 4183000 -36.6949 9.93434 31.9598 9.93435 13.9531 16.4531 31.9598 16.453 51.217 GPRESSAVG: 4183000 -37.775 7.67411 31.0851 11.7207 14.3652 18.1215 31.9302 15.7069 51.929 TIMING: 4183000 CPU: 12112.2, 0.00287613/step Wall: 12112.2, 0.00287613/step, 0.652721 hours remaining, 210.757812 MB of memory in use. ENERGY: 4183000 722.4375 2067.5165 1955.1342 103.3595 -206361.8507 17710.4590 0.0000 0.0000 34428.7616 -149374.1825 300.6749 -183802.9440 -149274.5896 298.7690 10.5179 35.5428 556225.7835 9.4917 9.5064 PRESSURE: 4183200 -33.7929 -147.061 119.142 -147.061 43.3238 26.7416 119.142 26.7424 221.354 GPRESSURE: 4183200 29.5253 -134.342 131.864 -94.1521 -1.18306 66.3264 71.6375 -20.0364 310.188 PRESSAVG: 4183200 -75.3107 5.38603 94.141 5.386 72.24 40.9319 94.1411 40.9321 15.6047 GPRESSAVG: 4183200 -74.8151 5.24003 95.9544 6.90045 71.0868 40.3553 92.6486 41.379 16.3854 TIMING: 4183200 CPU: 12112.7, 0.00288037/step Wall: 12112.7, 0.00288037/step, 0.653525 hours remaining, 210.757812 MB of memory in use. ENERGY: 4183200 758.7332 2039.7204 1950.0334 122.6541 -206591.9584 18098.5985 0.0000 0.0000 34346.4665 -149275.7522 299.9562 -183622.2187 -149175.3397 299.0625 76.9616 112.8435 558235.2118 4.1780 4.2190 PRESSURE: 4183400 -8.4495 -88.3753 15.6807 -88.3755 -69.8309 67.0204 15.6794 67.0203 131.841 GPRESSURE: 4183400 45.1033 -161.67 56.2024 -63.3007 -54.0377 51.5818 0.569312 67.5681 152.492 PRESSAVG: 4183400 -54.9042 -21.9959 31.6063 -21.996 10.3457 21.0799 31.6063 21.0799 50.1063 GPRESSAVG: 4183400 -55.6065 -21.8586 33.7841 -24.9072 10.9438 21.5274 33.4156 21.3273 50.5788 TIMING: 4183400 CPU: 12113.3, 0.00289866/step Wall: 12113.3, 0.00289866/step, 0.657513 hours remaining, 210.757812 MB of memory in use. ENERGY: 4183400 744.8869 2092.9027 1966.9477 103.1525 -206584.7011 17996.2915 0.0000 0.0000 34229.1166 -149451.4032 298.9314 -183680.5198 -149358.0966 299.3167 17.8535 47.8525 556528.8294 1.8492 1.9721 PRESSURE: 4183600 -192.653 -15.2145 -42.0998 -15.215 143.307 99.5767 -42.1011 99.5767 57.574 GPRESSURE: 4183600 -142.285 -35.4109 -99.456 -52.6537 97.4524 134.192 -28.4244 -1.29375 144.001 PRESSAVG: 4183600 13.439 -37.6379 58.2099 -37.6379 -8.13582 43.604 58.2099 43.6041 31.7116 GPRESSAVG: 4183600 14.1148 -38.0143 56.2388 -34.6678 -8.06742 42.1262 57.2555 43.3705 31.4882 TIMING: 4183600 CPU: 12113.9, 0.00287145/step Wall: 12113.9, 0.00287145/step, 0.651182 hours remaining, 210.757812 MB of memory in use. ENERGY: 4183600 744.4842 2134.3215 1922.4950 121.9379 -206415.1639 17698.4010 0.0000 0.0000 34155.8240 -149637.7004 298.2913 -183793.5244 -149541.8133 298.5410 2.7428 33.0560 556167.3280 12.3383 12.5119 PRESSURE: 4183800 -88.1337 110.754 115.508 110.753 -48.7322 215.448 115.51 215.446 -280.63 GPRESSURE: 4183800 -63.2728 78.0928 155.265 68.3032 -17.3448 198.216 22.8965 145.28 -246.843 PRESSAVG: 4183800 -25.7581 37.5617 81.2182 37.5616 13.1559 3.22972 81.2181 3.22979 25.1902 GPRESSAVG: 4183800 -26.154 36.7241 83.6955 37.0828 14.2371 4.7458 81.1383 2.56565 24.4968 TIMING: 4183800 CPU: 12114.5, 0.00292742/step Wall: 12114.5, 0.00292742/step, 0.663711 hours remaining, 210.757812 MB of memory in use. ENERGY: 4183800 770.7512 2067.6227 1930.4329 108.7850 -206449.7224 17768.0215 0.0000 0.0000 34380.1387 -149423.9703 300.2503 -183804.1090 -149324.4006 298.5019 -139.1652 -109.1537 556392.9670 4.1960 4.1933 PRESSURE: 4184000 -103.26 46.8891 -54.3644 46.891 282.089 12.9577 -54.3644 12.9579 -92.5438 GPRESSURE: 4184000 12.337 37.8941 -3.57754 42.6724 290.633 14.0971 -95.4781 -69.8641 -116.363 PRESSAVG: 4184000 49.2066 -13.7934 56.4089 -13.7936 32.2594 -6.82294 56.4088 -6.82316 -20.4845 GPRESSAVG: 4184000 49.9821 -13.321 54.7894 -16.2413 32.1955 -7.63116 55.0668 -6.17798 -20.8538 TIMING: 4184000 CPU: 12115.1, 0.00287945/step Wall: 12115.1, 0.00287945/step, 0.652675 hours remaining, 210.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4184000 739.3223 2063.1130 1938.4599 116.6557 -206075.2570 17713.8680 0.0000 0.0000 34228.8135 -149275.0246 298.9287 -183503.8381 -149180.8834 299.1670 28.7618 62.2024 555571.5717 20.3272 20.4413 PRESSURE: 4184200 -325.481 -34.2606 -20.8684 -34.2607 -23.5279 42.9093 -20.8693 42.9087 -58.5667 GPRESSURE: 4184200 -303.406 -81.8103 -110.372 -10.2265 -34.6623 63.1098 -29.667 33.0597 23.0455 PRESSAVG: 4184200 -30.4721 -1.43971 -26.1132 -1.43965 28.1444 9.86317 -26.1131 9.86323 -16.3561 GPRESSAVG: 4184200 -30.2704 -0.188647 -26.3803 -0.752864 26.1887 8.71312 -24.7972 10.5673 -14.5499 TIMING: 4184200 CPU: 12115.6, 0.00288451/step Wall: 12115.6, 0.00288451/step, 0.653662 hours remaining, 210.757812 MB of memory in use. ENERGY: 4184200 740.1779 1994.1971 1939.6018 119.9239 -205880.9651 17581.4485 0.0000 0.0000 34307.5162 -149198.0998 299.6161 -183505.6160 -149100.3454 300.1240 -135.8586 -105.0076 557476.3579 -6.2279 -6.2105 LDB: ============= START OF LOAD BALANCING ============== 12119 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12119 LDB: =============== DONE WITH MIGRATION ================ 12119 LDB: ============= START OF LOAD BALANCING ============== 12119.3 LDB: Largest compute 4773 load 0.025980 is 22.0% of average load 0.118055 LDB: Average compute 0.001730 is 1.5% of average load 0.118055 LDB: TIME 12119.3 LOAD: AVG 0.118055 MAX 0.179102 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 12119.3 LOAD: AVG 0.118055 MAX 0.179102 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 12119.3 LOAD: AVG 0.118055 MAX 0.179102 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12119.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12119.3 PRESSURE: 4184400 121.491 -68.2587 -368.51 -68.2597 -106.96 -1.83058 -368.51 -1.83165 297.191 GPRESSURE: 4184400 170.82 -20.54 -274.018 -99.5416 -56.5283 1.73554 -396.683 -17.9653 300.494 PRESSAVG: 4184400 -42.1762 14.5318 4.95248 14.5318 -21.337 -24.2126 4.95256 -24.2126 98.0757 GPRESSAVG: 4184400 -42.638 14.173 5.17331 15.5038 -20.1444 -24.6967 5.80457 -26.8266 97.4757 TIMING: 4184400 CPU: 12116.2, 0.00291751/step Wall: 12116.2, 0.00291751/step, 0.660978 hours remaining, 210.863281 MB of memory in use. ENERGY: 4184400 760.2155 2106.8043 1949.5390 122.0605 -206463.1670 17972.3188 0.0000 0.0000 34373.7969 -149178.4320 300.1949 -183552.2289 -149084.0113 299.3587 103.9072 138.2618 556535.1845 11.5208 11.5644 PRESSURE: 4184600 38.6576 9.8119 -18.6014 9.8115 -0.466732 87.7414 -18.6023 87.7419 -40.3776 GPRESSURE: 4184600 22.9099 73.7482 -2.59735 -9.10161 57.9819 47.5392 -24.5976 88.4651 23.365 PRESSAVG: 4184600 33.2763 19.3394 -40.75 19.3395 -61.0931 -6.32734 -40.75 -6.32738 34.3422 GPRESSAVG: 4184600 33.7175 20.9564 -41.2605 17.6058 -61.1923 -8.06403 -40.3637 -4.04095 33.852 TIMING: 4184600 CPU: 12116.8, 0.00289024/step Wall: 12116.8, 0.00289024/step, 0.654639 hours remaining, 210.863281 MB of memory in use. ENERGY: 4184600 711.3422 2129.6813 1953.4262 122.0151 -206072.2049 17834.0483 0.0000 0.0000 34234.1467 -149087.5452 298.9753 -183321.6919 -148992.5953 299.6797 -0.7289 34.7523 557538.8955 2.1751 2.1257 PRESSURE: 4184800 -25.7495 139.39 56.9954 139.39 -291.783 -67.0594 56.9954 -67.0601 -31.545 GPRESSURE: 4184800 -10.391 71.9124 52.2115 55.5294 -223.825 -71.5791 83.5133 -163.754 -32.2428 PRESSAVG: 4184800 -36.2609 -30.2514 -38.2892 -30.2513 -13.1913 -39.7136 -38.2892 -39.7136 33.1968 GPRESSAVG: 4184800 -35.5433 -32.0542 -37.8117 -30.2149 -13.7133 -35.2869 -39.7214 -40.8906 32.3927 TIMING: 4184800 CPU: 12117.4, 0.00287021/step Wall: 12117.4, 0.00287021/step, 0.649944 hours remaining, 210.863281 MB of memory in use. ENERGY: 4184800 757.2845 2092.2438 1931.9594 124.8812 -205837.4153 17548.9100 0.0000 0.0000 34423.1939 -148958.9426 300.6263 -183382.1365 -148862.4145 299.8538 -116.3592 -88.8196 557608.6024 -5.4185 -5.6213 PRESSURE: 4185000 -9.31041 9.9955 -89.2977 9.99357 -84.4549 11.4754 -89.2976 11.4753 113.883 GPRESSURE: 4185000 8.04673 -16.7546 -115.646 -71.717 -22.4305 51.1031 -152.247 28.4512 144.565 PRESSAVG: 4185000 -12.4654 -41.6555 -14.1659 -41.6556 45.7209 37.3206 -14.1659 37.3206 -15.5114 GPRESSAVG: 4185000 -14.0617 -42.9603 -14.1239 -38.3038 46.1367 36.9663 -13.925 35.9658 -14.1964 TIMING: 4185000 CPU: 12118, 0.00287917/step Wall: 12118, 0.00287917/step, 0.651812 hours remaining, 210.863281 MB of memory in use. ENERGY: 4185000 751.2165 2110.0296 1931.8841 111.8184 -206372.0518 18104.4878 0.0000 0.0000 34469.7645 -148892.8508 301.0330 -183362.6154 -148798.1513 299.9438 6.7061 43.3938 557968.3534 5.9147 5.9595 PRESSURE: 4185200 -302.555 -4.2946 -52.4607 -4.29506 -194.055 11.0198 -52.4612 11.0199 -101.404 GPRESSURE: 4185200 -332.229 12.2552 -3.60668 -59.996 -191.688 56.5916 -111.476 74.0427 19.5074 PRESSAVG: 4185200 1.5775 43.7156 37.2634 43.7156 -9.80877 -1.57201 37.2633 -1.57206 -31.2271 GPRESSAVG: 4185200 2.15598 46.4398 37.8083 41.1137 -9.93405 -2.16357 36.6659 1.27355 -31.9499 TIMING: 4185200 CPU: 12118.5, 0.00287824/step Wall: 12118.5, 0.00287824/step, 0.651441 hours remaining, 210.863281 MB of memory in use. ENERGY: 4185200 744.8920 2053.7459 1955.2536 131.5717 -205500.4510 17367.6362 0.0000 0.0000 34242.3390 -149005.0126 299.0469 -183247.3516 -148909.5613 299.8673 -199.3384 -168.1367 558392.5096 -13.1528 -13.2427 PRESSURE: 4185400 -60.7491 -45.0425 -107.779 -45.0439 115.941 109.197 -107.778 109.197 -224.291 GPRESSURE: 4185400 31.4349 -59.2248 -151.296 -73.4225 107.87 37.8568 -76.0446 83.0559 -210.4 PRESSAVG: 4185400 6.29306 16.7213 20.3493 16.7213 5.18331 19.1908 20.3494 19.1906 -28.8051 GPRESSAVG: 4185400 4.91198 14.063 19.1963 16.8047 5.42827 17.1243 20.1874 17.4794 -28.1332 TIMING: 4185400 CPU: 12119.1, 0.00287463/step Wall: 12119.1, 0.00287463/step, 0.650466 hours remaining, 210.863281 MB of memory in use. ENERGY: 4185400 807.5358 2073.3352 1942.3528 116.6069 -206238.0216 17976.8998 0.0000 0.0000 34279.7474 -149041.5437 299.3736 -183321.2910 -148942.2613 300.0178 -56.3665 -23.6982 557852.3701 -5.7762 -5.9310 PRESSURE: 4185600 -20.6783 141.844 104.569 141.844 -75.462 57.9455 104.569 57.9462 97.9272 GPRESSURE: 4185600 -33.1182 109.941 89.3671 180.548 -25.515 72.6815 41.126 62.8053 154.329 PRESSAVG: 4185600 -33.0707 63.6762 -45.2322 63.6763 49.47 -29.1843 -45.2322 -29.1845 -2.47611 GPRESSAVG: 4185600 -32.4206 64.7176 -46.8961 62.7028 49.3859 -27.8548 -44.3422 -29.2827 -2.89705 TIMING: 4185600 CPU: 12119.7, 0.00286726/step Wall: 12119.7, 0.00286726/step, 0.648638 hours remaining, 210.863281 MB of memory in use. ENERGY: 4185600 797.3118 2157.7668 1956.1851 111.1312 -206240.2818 17784.2912 0.0000 0.0000 34501.6124 -148931.9832 301.3112 -183433.5956 -148840.3010 300.2562 0.5957 31.8986 557146.7085 4.6411 4.6894 PRESSURE: 4185800 153.291 -172.145 74.8738 -172.145 170.611 168.922 74.8738 168.922 273.485 GPRESSURE: 4185800 149.782 -68.3582 57.8558 -297.688 188.004 45.8616 38.4523 214.441 356.98 PRESSAVG: 4185800 0.852309 -44.7246 68.3799 -44.7246 40.4849 -0.986636 68.3799 -0.986629 -54.4646 GPRESSAVG: 4185800 1.67438 -45.5034 70.6759 -43.8276 39.8256 -1.89415 67.4655 0.430591 -54.5862 TIMING: 4185800 CPU: 12120.3, 0.00287515/step Wall: 12120.3, 0.00287515/step, 0.650263 hours remaining, 210.863281 MB of memory in use. ENERGY: 4185800 729.4586 1998.0159 1966.3731 108.5092 -206067.7252 17873.0438 0.0000 0.0000 34424.3257 -148967.9989 300.6362 -183392.3246 -148868.1685 300.1602 199.1291 231.5887 556389.2700 -4.3758 -4.3621 PRESSURE: 4186000 119.41 101.662 -95.6244 101.663 -348.838 155.739 -95.6228 155.739 -263.618 GPRESSURE: 4186000 124.322 93.6946 -115.948 138.146 -350.278 230.565 -73.3021 142.402 -169.427 PRESSAVG: 4186000 6.81204 -41.4529 11.148 -41.4528 35.869 63.5697 11.1481 63.5697 -14.6755 GPRESSAVG: 4186000 6.84952 -40.0741 12.7742 -40.5234 36.0622 64.5974 9.94065 63.0886 -14.2878 TIMING: 4186000 CPU: 12120.8, 0.00284796/step Wall: 12120.8, 0.00284796/step, 0.643955 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4186000 722.9912 2109.9020 1938.3563 109.9268 -205507.8935 17406.2285 0.0000 0.0000 34324.1050 -148896.3837 299.7609 -183220.4887 -148806.0331 300.0947 -164.3490 -131.7943 560017.2668 9.3352 9.5413 PRESSURE: 4186200 -66.2378 31.2796 -40.8504 31.2792 -37.9 167.161 -40.8498 167.163 292.148 GPRESSURE: 4186200 -57.8515 67.3321 -37.8028 29.88 30.7838 217.206 -54.8585 151.461 332.47 PRESSAVG: 4186200 8.91573 27.4537 25.3276 27.4535 -11.9396 40.6204 25.3277 40.6205 7.40457 GPRESSAVG: 4186200 7.7997 27.6215 22.6264 25.254 -11.5357 41.537 26.3489 40.2287 8.09994 TIMING: 4186200 CPU: 12121.4, 0.0028553/step Wall: 12121.4, 0.0028553/step, 0.645457 hours remaining, 210.863281 MB of memory in use. ENERGY: 4186200 771.2709 2039.3342 1941.6567 115.8141 -206198.0349 17829.4477 0.0000 0.0000 34511.2424 -148989.2690 301.3953 -183500.5114 -148901.1524 300.1188 62.6702 101.8007 557283.3550 1.4602 1.4546 PRESSURE: 4186400 -172.522 210.795 -112.201 210.794 186.583 96.3136 -112.2 96.3128 5.47077 GPRESSURE: 4186400 -85.9338 200.651 -53.9691 186.896 233.538 129.102 -20.3947 63.8055 -33.4386 PRESSAVG: 4186400 -35.9164 -17.0803 18.6678 -17.0804 42.5759 37.3058 18.6678 37.3059 42.7701 GPRESSAVG: 4186400 -34.4154 -16.9386 19.8388 -15.0677 41.9202 36.6806 18.0555 37.599 41.7732 TIMING: 4186400 CPU: 12122, 0.00286811/step Wall: 12122, 0.00286811/step, 0.648194 hours remaining, 210.863281 MB of memory in use. ENERGY: 4186400 734.4484 2060.3005 1952.9370 108.6053 -206152.2062 17921.6607 0.0000 0.0000 34347.6461 -149026.6082 299.9665 -183374.2543 -148930.2442 299.9038 6.5106 38.0552 558244.2821 16.4765 16.4260 PRESSURE: 4186600 132.518 49.3848 26.693 49.3842 8.07062 121.151 26.693 121.153 -16.8089 GPRESSURE: 4186600 173.612 79.8017 52.1853 5.04736 32.3812 165.255 48.2513 72.1099 10.2991 PRESSAVG: 4186600 66.7506 -3.57222 -5.85759 -3.57224 -31.0142 41.1772 -5.85749 41.1773 -11.9643 GPRESSAVG: 4186600 66.5894 -4.4278 -9.04281 -4.15428 -30.6603 40.1007 -2.9706 41.3382 -12.6828 TIMING: 4186600 CPU: 12122.5, 0.00284684/step Wall: 12122.5, 0.00284684/step, 0.643227 hours remaining, 210.863281 MB of memory in use. ENERGY: 4186600 724.5367 2079.7029 1967.7759 119.3407 -205986.6180 17804.6571 0.0000 0.0000 34294.3824 -148996.2221 299.5014 -183290.6045 -148896.1406 300.0150 41.2600 72.0973 557470.0285 7.9240 7.7488 PRESSURE: 4186800 -123.045 107.56 9.97262 107.561 -94.4776 -189.114 9.97222 -189.113 174.355 GPRESSURE: 4186800 -71.8455 150.767 -22.4105 99.3115 -88.7778 -105.457 67.6903 -287.392 219.035 PRESSAVG: 4186800 13.7677 24.0723 12.3626 24.0724 21.5509 -45.2515 12.3626 -45.2514 -41.2817 GPRESSAVG: 4186800 12.1755 25.0025 14.2272 23.8709 20.8763 -43.4674 12.4069 -46.4709 -39.7212 TIMING: 4186800 CPU: 12123.1, 0.00287596/step Wall: 12123.1, 0.00287596/step, 0.649648 hours remaining, 210.863281 MB of memory in use. ENERGY: 4186800 733.9506 2088.4775 1987.0018 119.7101 -206203.2703 17891.8345 0.0000 0.0000 34327.4945 -149054.8012 299.7905 -183382.2958 -148961.3715 300.4936 -14.3895 19.4706 557986.0499 -1.9877 -2.2231 PRESSURE: 4187000 223.652 58.9751 -68.8361 58.9772 156.409 -199.301 -68.8368 -199.301 282.198 GPRESSURE: 4187000 280.246 55.4819 -62.5635 80.0747 153.502 -134.916 -124.755 -313.779 320.597 PRESSAVG: 4187000 -18.8367 -21.0364 -45.1956 -21.0364 -4.98346 -34.6648 -45.1955 -34.665 29.9705 GPRESSAVG: 4187000 -18.3825 -21.5516 -45.2822 -20.5955 -5.14691 -36.0687 -46.3284 -34.2552 29.5294 TIMING: 4187000 CPU: 12123.7, 0.00288067/step Wall: 12123.7, 0.00288067/step, 0.650552 hours remaining, 210.863281 MB of memory in use. ENERGY: 4187000 764.0223 2046.0687 1943.7036 111.6937 -206330.6401 18091.6913 0.0000 0.0000 34440.9401 -148932.5204 300.7813 -183373.4605 -148838.0149 299.8750 220.7530 251.4482 556495.6397 2.0501 2.0000 PRESSURE: 4187200 -2.54542 52.524 83.9999 52.5239 -209.202 140.22 84.001 140.22 64.6086 GPRESSURE: 4187200 10.1743 -11.0007 144.952 111.326 -156.309 194.157 94.2936 140.914 97.0894 PRESSAVG: 4187200 15.3081 -66.8125 1.49748 -66.8125 -11.813 3.09095 1.49754 3.09097 1.06479 GPRESSAVG: 4187200 16.3267 -66.2117 2.57612 -67.7059 -12.4147 3.90898 1.03719 3.76378 0.375619 TIMING: 4187200 CPU: 12124.3, 0.00287892/step Wall: 12124.3, 0.00287892/step, 0.649996 hours remaining, 210.863281 MB of memory in use. ENERGY: 4187200 743.5811 2113.2043 1946.6596 102.9835 -205963.1220 17864.9796 0.0000 0.0000 34280.8731 -148910.8407 299.3834 -183191.7139 -148811.5163 300.0990 -49.0462 -16.3485 557835.2573 1.5199 1.4292 PRESSURE: 4187400 177.267 -75.8385 -85.742 -75.8383 -216.44 88.4509 -85.7406 88.4519 -64.9663 GPRESSURE: 4187400 152.24 -87.903 -56.2109 -100.992 -155.97 73.3668 -126.08 112.625 -11.0034 PRESSAVG: 4187400 1.7977 -99.8967 67.1519 -99.8967 -5.40972 8.47153 67.1518 8.47158 0.453412 GPRESSAVG: 4187400 -0.279007 -102.102 65.8352 -99.3674 -3.73546 6.5318 67.4403 9.33372 0.62985 TIMING: 4187400 CPU: 12124.8, 0.00287145/step Wall: 12124.8, 0.00287145/step, 0.648151 hours remaining, 210.863281 MB of memory in use. ENERGY: 4187400 719.0198 2075.6722 1974.7496 115.2724 -206270.1677 17851.5974 0.0000 0.0000 34455.0272 -149078.8290 300.9043 -183533.8562 -148977.6111 299.4409 -34.7129 -4.9108 558362.2644 -1.0529 -1.1282 PRESSURE: 4187600 -154.367 81.3005 116.585 81.3004 -260.961 -11.1144 116.583 -11.115 -71.9661 GPRESSURE: 4187600 -116.681 46.9135 92.3613 -7.15246 -211.149 36.6756 128.444 44.3274 -64.614 PRESSAVG: 4187600 -26.6831 -98.7377 -15.4761 -98.7378 -0.15218 30.9004 -15.4762 30.9004 7.07177 GPRESSAVG: 4187600 -27.042 -97.9847 -16.9011 -98.4925 -1.37517 30.8706 -16.7984 30.163 8.84016 TIMING: 4187600 CPU: 12125.4, 0.00287134/step Wall: 12125.4, 0.00287134/step, 0.647965 hours remaining, 210.863281 MB of memory in use. ENERGY: 4187600 770.7363 2075.4167 1957.0383 115.1808 -206007.6540 17714.8971 0.0000 0.0000 34127.9001 -149246.4846 298.0474 -183374.3847 -149148.0210 299.3358 -162.4314 -130.8146 558325.3427 -6.5878 -6.5257 PRESSURE: 4187800 -27.376 -88.5117 -12.7616 -88.5109 21.7282 -68.0306 -12.762 -68.0302 -1.24311 GPRESSURE: 4187800 -57.0884 -112.824 20.8004 -25.7996 91.8518 25.7676 19.9372 -92.8361 55.1849 PRESSAVG: 4187800 -32.0572 1.44067 34.4269 1.4406 34.3377 8.35302 34.4268 8.35298 41.6833 GPRESSAVG: 4187800 -31.4659 1.90492 38.4754 0.888724 33.9756 9.76804 34.9217 6.52968 40.6736 TIMING: 4187800 CPU: 12126, 0.0028537/step Wall: 12126, 0.0028537/step, 0.643826 hours remaining, 210.863281 MB of memory in use. ENERGY: 4187800 774.4228 2091.2157 1954.3225 109.3888 -206423.0978 18027.4500 0.0000 0.0000 34263.8893 -149202.4087 299.2351 -183466.2980 -149109.2282 300.1157 -2.2970 29.9827 556998.3936 14.6546 14.3944 PRESSURE: 4188000 -372.576 -60.4863 166.672 -60.487 0.00659522 -24.1666 166.672 -24.1663 237.868 GPRESSURE: 4188000 -297.376 81.6102 138.891 -167.121 48.0536 39.5072 172.939 36.0354 219.256 PRESSAVG: 4188000 -49.4268 -54.7942 -31.1825 -54.7942 -20.5613 50.9739 -31.1825 50.974 55.4126 GPRESSAVG: 4188000 -49.5652 -53.3951 -32.7955 -53.9038 -20.8707 52.0147 -31.7083 51.9906 55.968 TIMING: 4188000 CPU: 12126.6, 0.00288374/step Wall: 12126.6, 0.00288374/step, 0.650444 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4188000 781.9924 2091.9912 1909.7547 113.5016 -205936.8547 17794.7080 0.0000 0.0000 34200.6315 -149044.2752 298.6826 -183244.9067 -148950.6380 299.6409 -44.9004 -10.0221 558497.1486 -4.8585 -4.8227 PRESSURE: 4188200 -235.639 51.1985 -172.363 51.1987 -280.837 -89.6714 -172.363 -89.6729 21.8104 GPRESSURE: 4188200 -217.067 37.6541 -188.168 29.043 -209.108 -60.5976 -87.3768 -113.861 36.5762 PRESSAVG: 4188200 -58.3951 -34.7943 26.3854 -34.7944 -1.84947 -6.8321 26.3854 -6.83202 43.2145 GPRESSAVG: 4188200 -59.3279 -36.4613 24.674 -35.7192 -1.05549 -6.72206 29.8843 -7.69566 42.7274 TIMING: 4188200 CPU: 12127.1, 0.00286579/step Wall: 12127.1, 0.00286579/step, 0.646236 hours remaining, 210.863281 MB of memory in use. ENERGY: 4188200 754.2560 2041.6176 1944.1551 121.1029 -205915.1018 17605.5729 0.0000 0.0000 34400.2861 -149048.1112 300.4263 -183448.3973 -148955.8947 300.0638 -164.8884 -129.8663 557460.8755 -5.6767 -5.8853 LDB: ============= START OF LOAD BALANCING ============== 12130.5 LDB: ============== END OF LOAD BALANCING =============== 12130.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12130.5 LDB: ============= START OF LOAD BALANCING ============== 12130.8 LDB: Largest compute 4773 load 0.025716 is 21.8% of average load 0.118056 LDB: Average compute 0.001731 is 1.5% of average load 0.118056 LDB: TIME 12130.8 LOAD: AVG 0.118056 MAX 0.17789 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 12130.8 LOAD: AVG 0.118056 MAX 0.17789 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.043 MB LDB: TIME 12130.8 LOAD: AVG 0.118056 MAX 0.17789 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12130.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12130.8 PRESSURE: 4188400 52.6273 166.437 62.9371 166.438 123.901 -131.742 62.9377 -131.742 149.32 GPRESSURE: 4188400 115.925 153.337 95.4437 134.819 149.823 -51.6676 86.8415 -136.341 159.686 PRESSAVG: 4188400 -46.0384 -8.72253 53.7404 -8.72259 22.276 25.8714 53.7404 25.8714 35.3812 GPRESSAVG: 4188400 -45.7671 -9.08038 54.8906 -6.78954 22.3091 24.7817 49.547 26.1081 35.2121 TIMING: 4188400 CPU: 12127.7, 0.00292704/step Wall: 12127.7, 0.00292704/step, 0.659886 hours remaining, 210.863281 MB of memory in use. ENERGY: 4188400 739.6474 2057.3394 1946.1545 121.1580 -206350.6754 18034.7310 0.0000 0.0000 34286.1105 -149165.5346 299.4291 -183451.6451 -149072.0390 298.4350 108.6159 141.8115 558510.7151 3.8730 3.9181 PRESSURE: 4188600 1.11609 108.462 -151.913 108.461 59.7401 -68.3349 -151.912 -68.3346 64.2568 GPRESSURE: 4188600 75.7255 87.7891 -116.979 133.704 36.2027 -147.816 -213.715 -117.466 108.93 PRESSAVG: 4188600 -17.4561 -0.212229 -29.6093 -0.212254 -0.299268 -5.83316 -29.6094 -5.8331 19.9465 GPRESSAVG: 4188600 -16.8319 2.70747 -28.5687 -3.55397 -1.64698 -6.44105 -29.7308 -5.67547 20.6025 TIMING: 4188600 CPU: 12128.3, 0.00287309/step Wall: 12128.3, 0.00287309/step, 0.647563 hours remaining, 210.863281 MB of memory in use. ENERGY: 4188600 753.6703 2078.5233 1960.7366 110.8715 -206307.2217 17922.6487 0.0000 0.0000 34220.3972 -149260.3741 298.8552 -183480.7713 -149166.6387 298.8400 41.7043 73.6194 557077.2168 0.7304 0.7079 PRESSURE: 4188800 -142.534 100.226 -63.7662 100.226 -109.749 140.672 -63.7665 140.672 -67.2082 GPRESSURE: 4188800 -128.684 104.152 -92.0889 93.8386 -62.2967 113.718 -96.9644 160.809 -19.0914 PRESSAVG: 4188800 -14.7912 -2.4916 6.7548 -2.4917 -32.8033 18.7035 6.75462 18.7035 89.4061 GPRESSAVG: 4188800 -14.297 -3.77782 5.02122 -1.15435 -31.9383 18.2258 7.97653 18.4052 87.9605 TIMING: 4188800 CPU: 12128.9, 0.0028358/step Wall: 12128.9, 0.0028358/step, 0.639 hours remaining, 210.863281 MB of memory in use. ENERGY: 4188800 803.3810 1989.4498 1938.2098 112.5399 -206171.4755 17907.5993 0.0000 0.0000 34161.5452 -149258.7507 298.3413 -183420.2959 -149156.2348 299.5963 -106.4969 -70.0240 558045.3562 13.9372 13.9084 PRESSURE: 4189000 66.3403 4.43561 -174.746 4.43586 178.055 114.735 -174.746 114.734 -80.3453 GPRESSURE: 4189000 67.0027 -18.3062 -108.892 6.6192 159.387 222.055 -131.378 126.827 26.1988 PRESSAVG: 4189000 67.9506 12.2272 -6.65936 12.2273 -38.1225 -2.78567 -6.65926 -2.78566 -12.7868 GPRESSAVG: 4189000 68.0527 12.5234 -6.01752 12.7341 -39.0319 -2.64901 -6.17761 -2.13548 -12.0941 TIMING: 4189000 CPU: 12129.4, 0.0028614/step Wall: 12129.4, 0.0028614/step, 0.64461 hours remaining, 210.863281 MB of memory in use. ENERGY: 4189000 723.1706 2089.8575 1938.1636 118.4729 -205959.7876 17799.7409 0.0000 0.0000 34099.9245 -149190.4577 297.8031 -183290.3821 -149099.0888 299.0233 54.6832 84.1962 558019.3711 5.6805 5.6422 PRESSURE: 4189200 94.4446 -59.6785 -103.474 -59.6781 -66.1833 -7.99468 -103.473 -7.99368 50.1634 GPRESSURE: 4189200 151.685 -77.668 -163.525 -108.28 -23.1761 19.4076 -43.2238 9.23377 47.1109 PRESSAVG: 4189200 -10.7488 -0.581415 16.3693 -0.581435 50.0786 19.9142 16.3693 19.9143 1.79982 GPRESSAVG: 4189200 -10.509 -2.31606 16.5637 0.940251 50.5759 21.6438 16.7381 18.2546 1.40619 TIMING: 4189200 CPU: 12130, 0.00285959/step Wall: 12130, 0.00285959/step, 0.644042 hours remaining, 210.863281 MB of memory in use. ENERGY: 4189200 740.2974 2094.3593 1926.0420 116.2301 -206259.3861 17859.0552 0.0000 0.0000 34124.2977 -149399.1044 298.0160 -183523.4021 -149301.7173 299.7372 26.1416 58.5399 557818.1257 13.7099 13.8244 PRESSURE: 4189400 253.575 187.43 -170.027 187.429 -301.058 182.889 -170.028 182.89 -123.818 GPRESSURE: 4189400 295.468 266.374 -184.112 143.228 -284.204 211.44 -192.799 64.9957 -87.5657 PRESSAVG: 4189400 14.3204 38.4886 -0.510644 38.4887 13.8797 48.7947 -0.51067 48.7946 -34.7695 GPRESSAVG: 4189400 13.3419 38.5929 -1.16685 37.927 13.5013 49.412 0.507682 48.9303 -33.8865 TIMING: 4189400 CPU: 12130.6, 0.00286035/step Wall: 12130.6, 0.00286035/step, 0.644055 hours remaining, 210.863281 MB of memory in use. ENERGY: 4189400 753.0058 2087.4451 1922.8919 109.7628 -206032.7142 17648.2759 0.0000 0.0000 34115.0384 -149396.2943 297.9351 -183511.3327 -149307.3544 298.9016 -57.1001 -25.4339 557793.2274 -2.1898 -2.3478 PRESSURE: 4189600 33.2909 -53.5556 102.625 -53.5553 -88.9181 -54.5616 102.624 -54.5615 -355.763 GPRESSURE: 4189600 35.5909 -12.1168 74.7952 -87.7951 -92.2053 39.2537 96.6754 -122.663 -266.961 PRESSAVG: 4189600 42.4843 59.8612 -21.2291 59.8612 -9.56011 75.4886 -21.2291 75.4884 0.609721 GPRESSAVG: 4189600 41.0342 61.9341 -19.6791 58.5747 -9.21236 74.5303 -21.7294 74.9491 1.21525 TIMING: 4189600 CPU: 12131.1, 0.00286926/step Wall: 12131.1, 0.00286926/step, 0.645902 hours remaining, 210.863281 MB of memory in use. ENERGY: 4189600 765.1626 2028.3582 1930.1321 98.6093 -206249.4703 17882.8032 0.0000 0.0000 34301.4094 -149242.9954 299.5627 -183544.4048 -149146.3384 298.9474 -137.1301 -107.8583 559742.4492 11.1780 11.0124 PRESSURE: 4189800 -3.97957 -64.4847 9.96042 -64.4835 -11.8284 1.07564 9.95886 1.07747 -79.8189 GPRESSURE: 4189800 28.0179 -42.6185 44.0788 -22.1551 46.4397 -15.1593 -12.8958 -31.9616 -63.5201 PRESSAVG: 4189800 -46.6264 -35.08 41.2342 -35.0799 -36.0284 42.4388 41.2341 42.4388 120.959 GPRESSAVG: 4189800 -44.3994 -37.2668 40.9368 -34.5461 -36.1971 40.5211 40.6397 44.6709 118.949 TIMING: 4189800 CPU: 12131.7, 0.00288801/step Wall: 12131.7, 0.00288801/step, 0.649963 hours remaining, 210.863281 MB of memory in use. ENERGY: 4189800 727.1469 2096.3836 1919.4217 113.7756 -206110.1224 17879.1560 0.0000 0.0000 34050.3197 -149323.9190 297.3699 -183374.2386 -149222.4310 298.9065 -31.8756 3.6459 556903.1217 12.7679 12.7842 PRESSURE: 4190000 -79.6631 247.278 -202.981 247.277 108.625 -60.3656 -202.98 -60.3639 -81.8287 GPRESSURE: 4190000 -66.7828 185.494 -193.351 235.131 117.343 -45.326 -177.505 -111.515 3.53643 PRESSAVG: 4190000 -11.3377 14.8259 -20.2256 14.8259 -5.9142 -30.5161 -20.2256 -30.5161 20.52 GPRESSAVG: 4190000 -11.915 15.5005 -21.8273 14.1465 -5.45111 -28.4264 -19.3666 -31.2513 20.349 TIMING: 4190000 CPU: 12132.3, 0.00286537/step Wall: 12132.3, 0.00286537/step, 0.644708 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4190000 725.5212 2071.7590 1940.3371 104.2394 -206421.4061 17911.9264 0.0000 0.0000 34311.0174 -149356.6056 299.6466 -183667.6230 -149254.5332 298.5798 -17.6224 18.0323 558095.6469 1.0894 0.9943 PRESSURE: 4190200 -117.529 60.7898 45.8674 60.7896 -168.388 25.4894 45.8666 25.4895 92.7294 GPRESSURE: 4190200 -59.8002 53.0712 87.4943 37.7619 -137.393 -67.4509 3.99697 14.7518 104.226 PRESSAVG: 4190200 -16.7442 -0.641777 -2.09671 -0.641748 17.2007 10.0947 -2.09668 10.0947 -11.0725 GPRESSAVG: 4190200 -16.9108 -2.31139 -1.12285 -0.893177 17.2572 10.8096 -2.51857 8.10264 -11.0053 TIMING: 4190200 CPU: 12132.9, 0.00289213/step Wall: 12132.9, 0.00289213/step, 0.650568 hours remaining, 210.863281 MB of memory in use. ENERGY: 4190200 772.6444 2089.6175 1933.9535 126.4489 -206731.5797 17836.3781 0.0000 0.0000 34452.5218 -149520.0154 300.8824 -183972.5372 -149430.9659 299.3304 -64.3961 -30.9890 556071.7301 -3.5387 -3.5530 PRESSURE: 4190400 256.034 -38.7293 56.4142 -38.7304 51.4967 -74.0251 56.4143 -74.0268 -9.32307 GPRESSURE: 4190400 266.743 -122.296 108.274 -0.939418 50.1384 -125.138 28.4788 -185.012 86.4043 PRESSAVG: 4190400 -4.37323 15.2858 4.79316 15.2859 17.6475 -36.4075 4.79308 -36.4073 25.484 GPRESSAVG: 4190400 -4.00834 17.3556 5.02555 15.2907 16.8817 -37.7387 4.19276 -34.7419 25.7031 TIMING: 4190400 CPU: 12133.5, 0.00288282/step Wall: 12133.5, 0.00288282/step, 0.648315 hours remaining, 210.863281 MB of memory in use. ENERGY: 4190400 746.4946 2051.0915 1946.6242 113.0294 -206763.5980 17969.2608 0.0000 0.0000 34433.1706 -149503.9269 300.7134 -183937.0975 -149412.0365 298.8948 99.4024 134.4287 556338.4798 12.9194 12.8588 PRESSURE: 4190600 255.648 -12.6759 77.4982 -12.676 113.148 50.0594 77.4973 50.0587 176.276 GPRESSURE: 4190600 270.731 32.0927 -0.190606 19.2588 137.988 108.485 135.647 96.3265 227.692 PRESSAVG: 4190600 66.4662 3.58503 57.849 3.58497 -44.8645 -14.2371 57.849 -14.2372 -3.63753 GPRESSAVG: 4190600 66.2827 2.38705 56.8446 3.54727 -44.8398 -12.3195 58.0159 -14.0085 -3.27474 TIMING: 4190600 CPU: 12134, 0.00287498/step Wall: 12134, 0.00287498/step, 0.646391 hours remaining, 210.863281 MB of memory in use. ENERGY: 4190600 756.1627 2053.3031 1938.1172 123.1113 -207012.4591 18202.6426 0.0000 0.0000 34288.1380 -149650.9842 299.4468 -183939.1222 -149550.1388 298.8182 181.6907 212.1373 556311.5722 5.9881 6.0561 PRESSURE: 4190800 -13.2862 -42.4914 -27.9811 -42.4923 -68.8351 -113.557 -27.9811 -113.556 -109.402 GPRESSURE: 4190800 29.0164 -45.3052 3.3659 -74.794 2.15142 -2.16528 -42.1476 -142.197 -126.679 PRESSAVG: 4190800 12.7612 38.3908 9.8067 38.3907 -47.1806 23.1141 9.80672 23.1142 30.9829 GPRESSAVG: 4190800 13.4714 39.9396 9.67071 37.2333 -47.6318 21.2476 10.3008 25.3897 30.8356 TIMING: 4190800 CPU: 12134.6, 0.00288025/step Wall: 12134.6, 0.00288025/step, 0.647416 hours remaining, 210.863281 MB of memory in use. ENERGY: 4190800 773.1229 2033.1910 1926.5031 115.0388 -206756.6718 18067.6439 0.0000 0.0000 34183.5144 -149657.6579 298.5331 -183841.1722 -149556.1153 298.4232 -63.8411 -31.8370 556985.4108 -1.1455 -1.1083 PRESSURE: 4191000 234.387 -226.233 77.9747 -226.236 5.23532 -43.3871 77.9748 -43.3858 -35.2025 GPRESSURE: 4191000 240.382 -200.335 27.7134 -154.564 -4.64483 -97.0838 13.421 -50.8829 68.0953 PRESSAVG: 4191000 -19.6528 7.80263 31.5741 7.80262 -43.8444 81.456 31.574 81.4562 58.8039 GPRESSAVG: 4191000 -20.1578 9.68969 32.544 9.40461 -43.2615 82.9593 32.6756 78.974 58.5061 TIMING: 4191000 CPU: 12135.2, 0.00287133/step Wall: 12135.2, 0.00287133/step, 0.645252 hours remaining, 210.863281 MB of memory in use. ENERGY: 4191000 707.0555 2114.7445 1947.8140 117.7877 -206245.8913 17835.9096 0.0000 0.0000 34035.8871 -149486.6929 297.2439 -183522.5800 -149389.4302 298.2441 68.1400 101.2774 556757.5597 -1.5644 -1.6377 PRESSURE: 4191200 190.215 5.33913 74.9037 5.34141 23.0239 140.843 74.9028 140.844 -55.1812 GPRESSURE: 4191200 240.513 50.4888 24.0574 18.2393 53.6621 16.0781 41.3518 103.258 -36.8221 PRESSAVG: 4191200 -6.70501 -1.73679 30.3064 -1.7369 19.896 -8.44793 30.3064 -8.44788 47.256 GPRESSAVG: 4191200 -7.43066 -3.53527 29.3574 -1.45159 18.9019 -10.4053 29.7533 -8.15936 48.8227 TIMING: 4191200 CPU: 12135.8, 0.0028856/step Wall: 12135.8, 0.0028856/step, 0.648297 hours remaining, 210.863281 MB of memory in use. ENERGY: 4191200 772.0147 2091.2021 1952.5291 100.6057 -206648.0780 17987.0493 0.0000 0.0000 34404.1570 -149340.5201 300.4601 -183744.6771 -149245.6066 299.5605 52.6858 85.7845 555781.9013 20.1490 20.0980 PRESSURE: 4191400 145.947 49.7583 -107.826 49.7591 -19.9614 32.8769 -107.826 32.8781 216.21 GPRESSURE: 4191400 182.208 64.1756 -95.6692 -7.73701 56.4333 -43.8142 -39.9574 73.0373 198.878 PRESSAVG: 4191400 13.6561 29.2441 7.49113 29.2441 -10.5791 7.44145 7.49117 7.44141 13.1732 GPRESSAVG: 4191400 13.3489 30.5327 8.97809 29.0289 -10.3469 7.68763 7.45997 8.75401 13.5524 TIMING: 4191400 CPU: 12136.3, 0.00289258/step Wall: 12136.3, 0.00289258/step, 0.649705 hours remaining, 210.863281 MB of memory in use. ENERGY: 4191400 768.0558 2115.4896 2014.7227 109.0439 -206690.4325 17921.3412 0.0000 0.0000 34322.4363 -149439.3430 299.7464 -183761.7793 -149344.5096 298.8311 114.0653 145.8397 555455.9705 5.4168 5.5181 PRESSURE: 4191600 -35.9266 -74.9581 -118.754 -74.9588 61.121 -39.0541 -118.755 -39.0534 117.753 GPRESSURE: 4191600 32.6019 -48.0406 -167.868 -73.5157 81.8442 -54.4996 -142.424 -100.642 117.792 PRESSAVG: 4191600 -22.1286 44.2892 -20.2403 44.2892 -22.7133 -56.5479 -20.2404 -56.548 61.3312 GPRESSAVG: 4191600 -20.9531 44.6964 -21.6378 41.5318 -23.1064 -58.3301 -20.7173 -56.2643 60.3324 TIMING: 4191600 CPU: 12136.9, 0.00288241/step Wall: 12136.9, 0.00288241/step, 0.647262 hours remaining, 210.863281 MB of memory in use. ENERGY: 4191600 737.0919 2075.4894 1958.1217 107.8142 -206382.2872 17868.9320 0.0000 0.0000 34199.5330 -149435.3050 298.6730 -183634.8380 -149332.0526 299.2200 47.6490 77.4128 555368.0324 5.4964 5.4243 PRESSURE: 4191800 -77.6411 -173.326 -113.093 -173.325 47.8646 -23.1198 -113.092 -23.1201 185.689 GPRESSURE: 4191800 -95.7628 -165.402 -117.257 -205.105 128.891 -74.0356 -134.229 -0.257195 218.245 PRESSAVG: 4191800 -71.7131 -25.7013 -31.6377 -25.7011 10.7739 34.816 -31.6377 34.816 73.1195 GPRESSAVG: 4191800 -71.0947 -25.7812 -31.1772 -25.703 11.8312 35.9281 -30.8674 34.8656 72.1007 TIMING: 4191800 CPU: 12137.5, 0.00287641/step Wall: 12137.5, 0.00287641/step, 0.645754 hours remaining, 210.863281 MB of memory in use. ENERGY: 4191800 748.3380 2035.9907 1960.9347 123.7299 -206283.7633 17952.8348 0.0000 0.0000 34017.3909 -149444.5444 297.0823 -183461.9353 -149333.6566 298.8084 51.9707 83.7909 557836.8293 4.0601 4.2791 PRESSURE: 4192000 141.863 11.2033 -91.1798 11.2043 -50.6574 -107.313 -91.1802 -107.312 172.266 GPRESSURE: 4192000 181.712 -4.64035 -8.21448 -11.6598 -1.21158 -27.1774 -150.563 -10.3548 203.21 PRESSAVG: 4192000 32.5165 -22.7324 -23.5788 -22.7324 25.5679 7.76589 -23.5788 7.76588 -64.7283 GPRESSAVG: 4192000 31.2685 -23.1681 -22.3799 -21.5562 24.7243 9.19015 -25.2939 7.41466 -62.708 TIMING: 4192000 CPU: 12138.1, 0.0028738/step Wall: 12138.1, 0.0028738/step, 0.645009 hours remaining, 210.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4192000 738.8060 2041.0051 1941.1377 114.5696 -206640.4944 18073.2245 0.0000 0.0000 34311.7793 -149419.9721 299.6533 -183731.7514 -149326.7054 298.8548 87.8241 127.9032 557657.6369 -2.2147 -2.2384 PRESSURE: 4192200 109.314 38.3777 108.103 38.3775 -96.1404 -24.4232 108.104 -24.4251 -121.511 GPRESSURE: 4192200 164.971 28.1309 112.932 49.2928 -49.9536 -60.0587 178.207 -12.3626 -117.385 PRESSAVG: 4192200 63.7875 8.73544 -30.5329 8.73546 -41.2351 43.5886 -30.5329 43.5885 -30.4609 GPRESSAVG: 4192200 64.0811 8.16202 -33.5374 9.01665 -40.5705 42.9655 -27.3653 43.2482 -31.6674 TIMING: 4192200 CPU: 12138.6, 0.00288072/step Wall: 12138.6, 0.00288072/step, 0.646402 hours remaining, 210.863281 MB of memory in use. ENERGY: 4192200 734.8836 2014.6847 1954.5423 113.1575 -206309.9674 17804.7597 0.0000 0.0000 34261.5493 -149426.3903 299.2146 -183687.9396 -149324.9845 298.6434 -36.1123 -0.7893 556656.3830 -2.6362 -2.7189 LDB: ============= START OF LOAD BALANCING ============== 12142 LDB: ============== END OF LOAD BALANCING =============== 12142 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12142 LDB: ============= START OF LOAD BALANCING ============== 12142.3 LDB: Largest compute 4773 load 0.025051 is 21.2% of average load 0.118214 LDB: Average compute 0.001723 is 1.5% of average load 0.118214 LDB: TIME 12142.3 LOAD: AVG 0.118214 MAX 0.1817 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 12142.3 LOAD: AVG 0.118214 MAX 0.1817 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: TIME 12142.3 LOAD: AVG 0.118214 MAX 0.1817 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12142.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12142.3 PRESSURE: 4192400 192.999 -16.8817 -142.006 -16.8811 220.279 -53.8336 -142.006 -53.8335 177.893 GPRESSURE: 4192400 227.591 9.72192 -114.928 -31.2511 262.627 -92.0706 -217.708 -39.5784 199.539 PRESSAVG: 4192400 -62.6301 57.1871 -4.73488 57.187 -11.8792 -15.3433 -4.73492 -15.3432 32.8911 GPRESSAVG: 4192400 -63.1638 59.6594 -3.09839 56.029 -11.92 -15.8345 -5.74654 -15.9094 33.1916 TIMING: 4192400 CPU: 12139.2, 0.00294615/step Wall: 12139.2, 0.00294615/step, 0.66092 hours remaining, 210.863281 MB of memory in use. ENERGY: 4192400 690.5987 2077.7407 1950.6096 110.3471 -206305.5267 17976.8184 0.0000 0.0000 34221.1455 -149278.2668 298.8618 -183499.4122 -149188.5219 298.7057 197.0568 229.9190 557807.0648 -13.8727 -13.9641 PRESSURE: 4192600 111.527 33.2709 73.6629 33.2732 -17.1818 -227.358 73.6629 -227.357 261.349 GPRESSURE: 4192600 109.075 47.3931 134.847 48.6973 79.653 -185.861 5.78162 -259.684 276.863 PRESSAVG: 4192600 -37.8794 8.89905 37.8731 8.8991 27.7392 7.30007 37.8731 7.3002 -25.085 GPRESSAVG: 4192600 -36.4056 6.05868 38.8568 7.74907 27.4061 8.35065 36.6686 6.99005 -25.9186 TIMING: 4192600 CPU: 12139.8, 0.00287222/step Wall: 12139.8, 0.00287222/step, 0.644175 hours remaining, 211.066406 MB of memory in use. ENERGY: 4192600 718.9854 2056.6028 1943.7349 111.5025 -206323.6582 18012.5658 0.0000 0.0000 34037.9111 -149442.3556 297.2615 -183480.2668 -149341.0157 299.3091 118.5646 155.1970 555948.5748 -11.7417 -11.6393 PRESSURE: 4192800 -107.573 77.7327 -46.191 77.7341 168.567 -91.5856 -46.1915 -91.5858 -276.198 GPRESSURE: 4192800 -89.6093 63.4267 19.4183 -50.2874 216.226 -81.6631 -42.2586 -20.6103 -255.932 PRESSAVG: 4192800 -9.4052 3.12075 -11.6864 3.1207 43.1853 44.4965 -11.6863 44.4967 -20.2461 GPRESSAVG: 4192800 -8.59599 3.6578 -14.1593 5.14619 42.0906 46.6354 -10.255 44.132 -20.2066 TIMING: 4192800 CPU: 12140.4, 0.00285886/step Wall: 12140.4, 0.00285886/step, 0.641019 hours remaining, 211.066406 MB of memory in use. ENERGY: 4192800 747.7140 2040.8801 1932.8724 121.9466 -205968.7005 17590.6462 0.0000 0.0000 34198.4299 -149336.2115 298.6634 -183534.6413 -149241.2923 298.7337 -71.7347 -43.1048 557071.5180 4.5113 4.4293 PRESSURE: 4193000 76.3194 -231.461 39.7419 -231.462 88.5505 -8.2996 39.742 -8.30122 244.396 GPRESSURE: 4193000 169.797 -144.785 57.8481 -181.939 112.391 -2.82062 134.558 -56.8777 228.665 PRESSAVG: 4193000 -15.3682 -13.2848 -16.4318 -13.2848 70.9708 9.21808 -16.4317 9.21813 -12.3768 GPRESSAVG: 4193000 -17.0484 -12.8145 -13.3533 -11.6874 71.2791 7.24185 -18.178 8.41911 -11.0927 TIMING: 4193000 CPU: 12141, 0.00288333/step Wall: 12141, 0.00288333/step, 0.646346 hours remaining, 211.066406 MB of memory in use. ENERGY: 4193000 708.5299 2068.4006 1932.0996 118.6893 -206356.7550 18074.5372 0.0000 0.0000 34313.7605 -149140.7379 299.6706 -183454.4984 -149045.8542 299.2451 136.4218 170.2841 557829.5866 14.4086 14.3793 PRESSURE: 4193200 -57.426 10.0375 -328.738 10.037 135.135 178.365 -328.737 178.365 54.5241 GPRESSURE: 4193200 18.6607 -24.0107 -294.161 -36.1657 129.187 74.5882 -415.369 207.537 78.1298 PRESSAVG: 4193200 -13.6615 10.7372 -34.4667 10.7373 -23.1364 43.5999 -34.4666 43.5998 47.746 GPRESSAVG: 4193200 -12.5096 10.2762 -35.8606 10.0255 -23.5526 43.5802 -32.5755 45.2662 47.0708 TIMING: 4193200 CPU: 12141.5, 0.00287431/step Wall: 12141.5, 0.00287431/step, 0.644164 hours remaining, 211.066406 MB of memory in use. ENERGY: 4193200 682.9176 2108.2843 1946.6884 119.2528 -205890.2487 17677.8282 0.0000 0.0000 34182.0361 -149173.2411 298.5202 -183355.2773 -149085.0341 299.0717 44.0776 75.3260 558535.2564 3.6494 3.6696 PRESSURE: 4193400 -16.347 33.9545 3.4994 33.9547 -37.7111 -51.1675 3.50137 -51.1683 131.894 GPRESSURE: 4193400 -13.8697 58.7786 99.5261 -32.5764 3.89389 -1.62821 -91.4667 -78.4845 194.383 PRESSAVG: 4193400 -18.1625 -20.9681 -78.0191 -20.9681 7.59359 63.1122 -78.0191 63.1122 25.0789 GPRESSAVG: 4193400 -18.7816 -19.8412 -77.5044 -23.1811 9.03293 62.9697 -78.6632 62.2387 24.1114 TIMING: 4193400 CPU: 12142.1, 0.00288461/step Wall: 12142.1, 0.00288461/step, 0.646312 hours remaining, 211.066406 MB of memory in use. ENERGY: 4193400 731.0897 2106.3547 1920.9217 106.9684 -206223.8335 17805.0067 0.0000 0.0000 34259.3875 -149294.1049 299.1958 -183553.4924 -149203.8713 298.6232 25.9452 61.4689 557176.6702 4.8367 4.7876 PRESSURE: 4193600 -153.789 -15.7242 -97.3028 -15.7247 -26.0232 2.10602 -97.3046 2.10635 56.2631 GPRESSURE: 4193600 -116.123 49.6256 -70.6229 4.30782 19.9854 -25.5301 -113.745 9.8874 52.8111 PRESSAVG: 4193600 -51.1032 -35.1743 -53.1213 -35.1742 -60.466 5.00926 -53.1213 5.00941 99.2767 GPRESSAVG: 4193600 -51.4589 -34.8743 -52.7683 -33.7672 -61.0988 4.81446 -53.7977 6.86461 100.152 TIMING: 4193600 CPU: 12142.7, 0.00286374/step Wall: 12142.7, 0.00286374/step, 0.641477 hours remaining, 211.066406 MB of memory in use. ENERGY: 4193600 762.4821 2074.1591 1946.1181 116.5414 -206258.0399 17856.3965 0.0000 0.0000 34201.4727 -149300.8700 298.6900 -183502.3427 -149202.6038 299.2650 -41.1829 -14.4420 558111.4060 -4.0975 -4.1352 PRESSURE: 4193800 1.41355 -51.098 -8.21907 -51.0975 -215.336 -76.384 -8.21817 -76.383 135.388 GPRESSURE: 4193800 20.8948 -75.2022 -49.0989 -47.3998 -128.747 -138.18 -30.3614 -19.6037 121.871 PRESSAVG: 4193800 -44.873 3.09147 -33.7426 3.09145 20.8177 -22.6163 -33.7427 -22.6163 55.0392 GPRESSAVG: 4193800 -45.9586 2.43261 -34.3313 2.8664 21.7342 -24.5512 -34.6819 -22.0821 55.3983 TIMING: 4193800 CPU: 12143.2, 0.00286076/step Wall: 12143.2, 0.00286075/step, 0.64065 hours remaining, 211.066406 MB of memory in use. ENERGY: 4193800 758.1027 2064.4920 1991.6104 121.8098 -206322.3909 17803.0269 0.0000 0.0000 34249.9058 -149333.4433 299.1129 -183583.3491 -149238.9231 299.2097 -26.1781 4.6729 557689.9770 10.3280 10.3913 PRESSURE: 4194000 -52.0022 -75.7513 -160.147 -75.7509 181.425 -133.604 -160.145 -133.602 -187.424 GPRESSURE: 4194000 -0.845608 5.6088 -100.643 -83.3276 208.305 -193.093 -167.863 -230.413 -156.163 PRESSAVG: 4194000 32.5607 -47.1836 -5.44027 -47.1836 7.42802 -6.60161 -5.44028 -6.60162 -19.393 GPRESSAVG: 4194000 32.6874 -47.5356 -5.81172 -45.6935 7.10377 -5.03696 -3.45936 -9.12575 -18.4544 TIMING: 4194000 CPU: 12143.8, 0.00286545/step Wall: 12143.8, 0.00286545/step, 0.641544 hours remaining, 211.066406 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: 4194000 785.1982 2076.5090 1952.7267 109.9405 -206397.9874 17936.5713 0.0000 0.0000 34256.9995 -149280.0422 299.1749 -183537.0417 -149182.4445 299.5727 -19.3339 17.0989 558859.5001 6.8652 7.1123 PRESSURE: 4194200 -44.7389 113.07 29.2905 113.071 117.625 21.7346 29.2916 21.7355 410.089 GPRESSURE: 4194200 16.7639 91.1191 22.5031 120.21 121.037 -12.6202 12.5488 81.3482 436.051 PRESSAVG: 4194200 -75.2258 -3.54524 35.8399 -3.5452 91.0757 -45.9666 35.8399 -45.9666 8.02269 GPRESSAVG: 4194200 -74.0522 -4.88628 34.8552 -5.47259 90.1646 -48.2162 35.459 -42.0245 7.42019 TIMING: 4194200 CPU: 12144.4, 0.00287011/step Wall: 12144.4, 0.00287011/step, 0.642426 hours remaining, 211.066406 MB of memory in use. ENERGY: 4194200 788.0030 2043.0807 1966.3405 121.7303 -206602.2792 18083.7601 0.0000 0.0000 34280.9463 -149318.4183 299.3840 -183599.3646 -149219.8063 298.9152 160.9916 191.2841 557432.9138 7.9575 7.8442 PRESSURE: 4194400 115.927 -33.787 -24.6144 -33.7877 4.08561 38.4309 -24.6148 38.4306 -279.674 GPRESSURE: 4194400 103.812 -42.193 -41.3005 -52.1827 17.0936 110.637 51.178 -2.91046 -178.85 PRESSAVG: 4194400 -30.8094 -40.548 33.2012 -40.548 62.1727 40.0008 33.2013 40.0007 -31.6609 GPRESSAVG: 4194400 -30.9202 -39.8096 32.0613 -39.2319 61.8196 39.9691 34.2845 38.23 -31.121 TIMING: 4194400 CPU: 12145, 0.00286176/step Wall: 12145, 0.00286176/step, 0.640399 hours remaining, 211.066406 MB of memory in use. ENERGY: 4194400 741.5052 2073.6185 1931.6204 105.4625 -206616.2278 17917.7779 0.0000 0.0000 34443.0163 -149403.2270 300.7994 -183846.2433 -149307.5603 299.1727 -53.2205 -19.3149 558058.1728 -0.0992 -0.0739 PRESSURE: 4194600 -466.595 165.081 88.1867 165.081 -137.299 -129.764 88.1871 -129.765 -238.787 GPRESSURE: 4194600 -426.688 126.342 79.7483 144.269 -86.148 -55.9988 126.946 -161.693 -235.174 PRESSAVG: 4194600 -68.2762 7.85677 21.8752 7.85685 19.4078 -64.5236 21.8752 -64.5236 -2.54516 GPRESSAVG: 4194600 -67.7542 7.00975 24.9688 9.11919 20.2207 -63.1425 19.0421 -65.0687 -3.88201 TIMING: 4194600 CPU: 12145.5, 0.00285492/step Wall: 12145.5, 0.00285492/step, 0.63871 hours remaining, 211.066406 MB of memory in use. ENERGY: 4194600 787.2907 2108.3297 1933.1063 113.8273 -205906.4285 17565.9090 0.0000 0.0000 34149.5352 -149248.4303 298.2364 -183397.9655 -149151.2831 298.9531 -280.8936 -249.3368 560187.0673 -17.1379 -17.1385 PRESSURE: 4194800 4.95777 21.9005 -42.4286 21.901 -1.73678 52.088 -42.4282 52.0876 -146.719 GPRESSURE: 4194800 -10.7135 13.9287 4.1825 46.8148 42.9006 36.8202 -90.5071 28.1111 -62.7245 PRESSAVG: 4194800 -49.2507 -25.7627 7.78464 -25.7627 34.7483 -6.86064 7.78472 -6.86081 52.8909 GPRESSAVG: 4194800 -49.0592 -25.6215 7.77938 -26.3983 35.6729 -5.77982 7.42838 -6.80088 52.8419 TIMING: 4194800 CPU: 12146.1, 0.00286277/step Wall: 12146.1, 0.00286277/step, 0.640305 hours remaining, 211.066406 MB of memory in use. ENERGY: 4194800 771.9262 2190.3600 1964.1068 110.3978 -206591.2117 18073.9406 0.0000 0.0000 34374.3724 -149106.1079 300.1999 -183480.4803 -149018.5218 298.5199 -47.8326 -10.1791 559850.8717 12.7962 13.1518 PRESSURE: 4195000 234.211 -151.696 52.9748 -151.696 121.564 88.5556 52.9738 88.5547 224.719 GPRESSURE: 4195000 193.823 -106.227 56.4654 -122.869 198.68 260.23 -5.7861 70.2474 282.115 PRESSAVG: 4195000 22.1664 -35.374 62.5496 -35.3739 -50.7346 -2.0976 62.5496 -2.09763 33.0761 GPRESSAVG: 4195000 21.4146 -33.7342 61.6683 -36.6525 -51.7425 -3.31998 65.3688 -1.12411 34.9549 TIMING: 4195000 CPU: 12146.7, 0.00284908/step Wall: 12146.7, 0.00284908/step, 0.637086 hours remaining, 211.066406 MB of memory in use. ENERGY: 4195000 747.1666 2084.6797 1949.0439 120.4273 -206870.6479 18428.4953 0.0000 0.0000 34429.6187 -149111.2164 300.6824 -183540.8351 -149010.6288 299.6509 193.4981 224.8728 559020.9729 1.5026 1.5423 PRESSURE: 4195200 251.701 -26.2593 81.203 -26.2595 331.36 -155.565 81.2037 -155.564 176.646 GPRESSURE: 4195200 298.96 11.3014 113.662 -44.9935 337.256 -204.188 130.392 -161.339 218.13 PRESSAVG: 4195200 -9.83867 -32.8475 30.4038 -32.8475 -54.973 -43.9731 30.4039 -43.9731 49.2041 GPRESSAVG: 4195200 -8.43089 -32.9657 30.0169 -31.2617 -54.9504 -43.6227 29.0522 -45.7521 47.9022 TIMING: 4195200 CPU: 12147.3, 0.00287431/step Wall: 12147.3, 0.00287431/step, 0.642568 hours remaining, 211.066406 MB of memory in use. ENERGY: 4195200 743.4944 2141.3692 1945.1621 109.3398 -206776.1447 18302.1640 0.0000 0.0000 34508.6964 -149025.9188 301.3730 -183534.6152 -148928.5157 299.5149 253.2357 284.7818 558815.6726 -5.2025 -5.1597 PRESSURE: 4195400 -74.7514 166.171 -12.0186 166.172 -81.1966 75.2164 -12.019 75.2157 -19.4697 GPRESSURE: 4195400 -59.5714 138.649 -39.2675 110.67 -43.1562 46.9965 33.7399 45.8771 37.9772 PRESSAVG: 4195400 -2.00657 25.2908 21.4419 25.2907 -0.542565 16.6955 21.442 16.6954 -17.4326 GPRESSAVG: 4195400 -2.16241 24.6808 23.3982 23.2001 -0.266064 14.883 21.3151 18.1633 -17.8065 TIMING: 4195400 CPU: 12147.8, 0.00286583/step Wall: 12147.8, 0.00286583/step, 0.640513 hours remaining, 211.066406 MB of memory in use. ENERGY: 4195400 729.3902 2059.9526 2023.2478 107.4306 -206061.9285 17843.9829 0.0000 0.0000 34336.3137 -148961.6107 299.8676 -183297.9244 -148865.7307 300.3814 -58.4726 -21.5835 558423.7036 -6.6606 -6.7450 PRESSURE: 4195600 53.1721 -9.29714 -9.14634 -9.29709 -50.1294 -281.255 -9.14557 -281.256 -3.39608 GPRESSURE: 4195600 142.983 -53.3107 -13.719 46.8549 -74.383 -216.753 -50.3292 -207.408 21.0022 PRESSAVG: 4195600 -45.3152 2.4469 29.8289 2.44692 13.9435 23.0267 29.8289 23.0267 18.9094 GPRESSAVG: 4195600 -45.7808 2.1212 27.0156 6.4043 13.9413 24.4666 29.8348 22.5655 19.8753 TIMING: 4195600 CPU: 12148.4, 0.00288427/step Wall: 12148.4, 0.00288427/step, 0.644473 hours remaining, 211.066406 MB of memory in use. ENERGY: 4195600 775.0458 2090.6704 1977.0940 123.2943 -206436.0739 17947.6374 0.0000 0.0000 34347.3771 -149174.9550 299.9642 -183522.3321 -149083.5349 299.5728 -0.1178 29.8674 558116.8967 -4.1541 -3.9881 PRESSURE: 4195800 -3.6545 11.2185 -22.6762 11.2189 218.63 228.845 -22.6754 228.846 129.661 GPRESSURE: 4195800 52.8752 -1.68494 -75.63 4.51107 218.566 242.085 -9.56017 147.646 161.154 PRESSAVG: 4195800 -10.9581 -22.069 41.8875 -22.069 -10.7487 73.24 41.8874 73.2399 49.6316 GPRESSAVG: 4195800 -11.2019 -20.7159 41.7826 -25.1489 -9.64103 73.8518 42.4359 74.1593 49.3447 TIMING: 4195800 CPU: 12149, 0.00286295/step Wall: 12149, 0.00286295/step, 0.639551 hours remaining, 211.066406 MB of memory in use. ENERGY: 4195800 730.9804 2064.0849 1954.3939 118.2082 -206343.0461 18017.8196 0.0000 0.0000 34228.8978 -149228.6613 298.9295 -183457.5591 -149125.3276 299.4411 114.8790 144.1984 558187.3681 9.3083 9.5006 PRESSURE: 4196000 74.6958 -13.1727 -51.9637 -13.1713 179.341 12.3606 -51.9631 12.3605 -11.6846 GPRESSURE: 4196000 127.548 12.1842 -81.7637 -17.4456 256.653 16.9536 -75.4007 11.7561 -45.236 PRESSAVG: 4196000 0.223327 19.551 7.63154 19.551 22.229 23.0683 7.63153 23.0682 -27.1094 GPRESSAVG: 4196000 0.71378 19.9373 8.57011 20.0248 21.5074 23.8864 6.98027 22.5676 -26.9718 TIMING: 4196000 CPU: 12149.6, 0.00286397/step Wall: 12149.6, 0.00286397/step, 0.639619 hours remaining, 211.066406 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: 4196000 759.6312 2135.8184 1958.4061 117.0434 -206796.5805 18105.7729 0.0000 0.0000 34259.1458 -149460.7627 299.1936 -183719.9085 -149367.0859 298.7859 80.7840 112.9884 556373.6403 -1.5523 -1.5835 PRESSURE: 4196200 96.5844 75.7063 76.9528 75.7076 91.8564 -241.291 76.9525 -241.291 151.245 GPRESSURE: 4196200 124.213 91.7867 -19.4374 2.3779 140.108 -238.1 107.799 -205.354 170.924 PRESSAVG: 4196200 24.2678 27.3654 -9.52437 27.3655 9.09266 -9.27289 -9.52431 -9.27296 6.8278 GPRESSAVG: 4196200 23.2306 25.8138 -11.3137 27.3437 9.8928 -8.32209 -6.85519 -10.2896 6.98192 TIMING: 4196200 CPU: 12150.1, 0.00286991/step Wall: 12150.1, 0.00286991/step, 0.640786 hours remaining, 211.066406 MB of memory in use. ENERGY: 4196200 731.9709 2056.9435 1967.3063 119.5731 -206316.8159 17904.8849 0.0000 0.0000 34176.1971 -149359.9401 298.4692 -183536.1372 -149260.5179 299.1401 113.2286 145.0819 556409.0732 13.3961 13.3684 LDB: ============= START OF LOAD BALANCING ============== 12153.5 LDB: ============== END OF LOAD BALANCING =============== 12153.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12153.5 LDB: ============= START OF LOAD BALANCING ============== 12153.8 LDB: Largest compute 4773 load 0.026086 is 22.1% of average load 0.118094 LDB: Average compute 0.001737 is 1.5% of average load 0.118094 LDB: TIME 12153.8 LOAD: AVG 0.118094 MAX 0.178248 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.633 MB LDB: TIME 12153.8 LOAD: AVG 0.118094 MAX 0.178248 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.836 MB LDB: TIME 12153.8 LOAD: AVG 0.118094 MAX 0.178248 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12153.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12153.8 PRESSURE: 4196400 121.504 -59.5503 -135.841 -59.5502 -215.646 -62.7767 -135.841 -62.7778 -63.3535 GPRESSURE: 4196400 209.759 64.6086 -120.1 -114.116 -205.307 -78.9588 -58.9589 2.95237 -60.1671 PRESSAVG: 4196400 20.3098 0.513031 -25.8288 0.513081 -19.6002 -17.4807 -25.8287 -17.4808 -23.7884 GPRESSAVG: 4196400 20.0708 1.28678 -23.2447 -0.0263691 -20.7109 -17.1993 -28.3012 -17.0652 -22.3668 TIMING: 4196400 CPU: 12150.7, 0.00292606/step Wall: 12150.7, 0.00292607/step, 0.653163 hours remaining, 211.820312 MB of memory in use. ENERGY: 4196400 744.3690 2086.5721 1944.5634 95.6215 -206459.3750 17827.5658 0.0000 0.0000 34241.8593 -149518.8239 299.0427 -183760.6832 -149419.8193 298.7288 -52.4984 -18.5714 556403.8683 -7.6929 -7.6690 PRESSURE: 4196600 -46.6636 -132.876 -109.838 -132.875 -165.837 193.191 -109.838 193.191 -147.226 GPRESSURE: 4196600 6.92937 1.10715 -69.2309 -176.858 -155.024 300.63 -83.1641 132.442 -109.314 PRESSAVG: 4196600 61.017 37.1674 -55.4598 37.1673 -62.8128 -11.1849 -55.4598 -11.1849 5.60527 GPRESSAVG: 4196600 59.5016 38.0483 -53.8457 35.2437 -61.3606 -13.3708 -55.7918 -10.1401 5.46985 TIMING: 4196600 CPU: 12151.3, 0.00287265/step Wall: 12151.3, 0.00287265/step, 0.641079 hours remaining, 212.019531 MB of memory in use. ENERGY: 4196600 726.7979 2020.4084 1952.8858 111.0480 -206359.4359 17694.4313 0.0000 0.0000 34097.4317 -149756.4328 297.7814 -183853.8646 -149662.1539 298.3802 -119.9088 -85.8028 558047.8046 1.2698 1.2036 PRESSURE: 4196800 88.3165 11.0747 -13.3103 11.0744 85.0442 88.9843 -13.3119 88.9854 2.9389 GPRESSURE: 4196800 148.151 60.4096 -48.9851 -89.5813 38.5695 86.4882 -42.7947 117.01 71.5251 PRESSAVG: 4196800 -5.61675 10.751 12.7218 10.751 -19.5905 39.8888 12.7217 39.8887 3.86714 GPRESSAVG: 4196800 -2.96494 8.47937 9.56824 12.1435 -21.2098 42.8993 13.1259 38.0761 2.88807 TIMING: 4196800 CPU: 12151.9, 0.0028678/step Wall: 12151.9, 0.0028678/step, 0.639838 hours remaining, 212.019531 MB of memory in use. ENERGY: 4196800 731.0814 2126.5745 1947.4867 103.8354 -206487.3524 17806.8188 0.0000 0.0000 34031.6638 -149739.8918 297.2070 -183771.5557 -149642.6263 297.4399 58.7665 86.0820 556278.9816 -7.1134 -7.0955 PRESSURE: 4197000 88.2985 -37.7579 49.1155 -37.7579 352.698 36.892 49.1155 36.8932 28.0021 GPRESSURE: 4197000 106.918 -18.4105 78.0198 -116.94 359.438 63.4461 62.8693 45.0595 90.1722 PRESSAVG: 4197000 51.0204 -11.6102 -14.3824 -11.6103 -7.38984 40.5995 -14.3824 40.5994 -26.9136 GPRESSAVG: 4197000 50.8653 -9.8891 -11.8397 -12.0327 -7.39738 42.4281 -14.1346 39.231 -26.7662 TIMING: 4197000 CPU: 12152.4, 0.00284087/step Wall: 12152.4, 0.00284087/step, 0.633672 hours remaining, 212.019531 MB of memory in use. ENERGY: 4197000 745.9678 2070.9746 1938.0172 113.4840 -206679.9204 18104.5068 0.0000 0.0000 34096.6567 -149610.3133 297.7746 -183706.9700 -149517.0538 297.6771 156.3327 185.5093 557266.0410 5.5723 5.5672 PRESSURE: 4197200 -24.0055 -6.73673 -2.46505 -6.73606 -328.793 -30.8409 -2.46576 -30.841 -224.142 GPRESSURE: 4197200 -21.6248 -40.1227 11.5095 -47.5722 -253.249 5.76931 10.8604 -42.9836 -199.989 PRESSAVG: 4197200 -24.3001 -2.46668 -57.1682 -2.46668 -11.0468 17.9755 -57.1682 17.9753 -0.920061 GPRESSAVG: 4197200 -25.0419 -3.38081 -57.1912 -2.01092 -11.206 15.6316 -57.9278 18.6947 -0.580328 TIMING: 4197200 CPU: 12153, 0.00287762/step Wall: 12153, 0.00287762/step, 0.641709 hours remaining, 212.019531 MB of memory in use. ENERGY: 4197200 747.0739 2100.2058 1960.1737 128.1776 -206151.1338 17634.5085 0.0000 0.0000 34151.0344 -149429.9600 298.2495 -183580.9944 -149332.4170 298.4815 -192.3135 -158.2874 557204.1276 -12.0890 -12.2761 PRESSURE: 4197400 50.1294 77.2789 -59.296 77.2793 -147.483 -129.874 -59.2955 -129.876 69.3083 GPRESSURE: 4197400 145.949 -16.0752 15.9433 154.098 -131.19 -122.439 -145.472 -87.0799 48.635 PRESSAVG: 4197400 -71.4871 48.6934 -39.5622 48.6934 30.5068 33.754 -39.5622 33.754 32.8373 GPRESSAVG: 4197400 -72.7646 48.68 -40.6199 49.0023 31.5847 33.3421 -38.5476 35.5915 32.7162 TIMING: 4197400 CPU: 12153.6, 0.00289587/step Wall: 12153.6, 0.00289587/step, 0.645617 hours remaining, 212.019531 MB of memory in use. ENERGY: 4197400 772.4054 2092.2158 1953.8574 100.5312 -206295.1285 17976.1374 0.0000 0.0000 34032.2995 -149367.6818 297.2125 -183399.9813 -149274.4841 298.4201 -9.3485 21.1310 556589.5082 -2.7143 -2.8212 PRESSURE: 4197600 -118.982 -61.5402 -134.915 -61.5408 -41.6689 -80.278 -134.915 -80.2772 -25.1596 GPRESSURE: 4197600 -66.4305 -107.652 -84.7696 -42.4176 8.18997 9.65637 -207.694 -59.2309 -40.9704 PRESSAVG: 4197600 -52.3449 15.982 -21.3937 15.982 -19.2844 57.5086 -21.3938 57.5087 54.9414 GPRESSAVG: 4197600 -51.4744 16.5271 -20.5094 15.9659 -19.6749 57.5948 -21.7092 55.8803 54.4086 TIMING: 4197600 CPU: 12154.2, 0.00288796/step Wall: 12154.2, 0.00288796/step, 0.643693 hours remaining, 212.019531 MB of memory in use. ENERGY: 4197600 711.9064 2055.0920 1970.8410 113.1842 -206423.7125 17789.1238 0.0000 0.0000 34257.0010 -149526.5642 299.1749 -183783.5652 -149438.9594 298.2498 -61.9368 -33.0703 557690.3481 -5.5626 -5.5802 PRESSURE: 4197800 19.3128 147.198 66.3003 147.199 -64.5591 30.6428 66.2996 30.6428 246.554 GPRESSURE: 4197800 46.4325 95.407 52.3435 18.7949 -21.5718 35.0017 180.569 -42.7767 266.418 PRESSAVG: 4197800 -3.06881 43.9733 -9.61463 43.9733 -0.620489 -26.8343 -9.61469 -26.8344 21.2074 GPRESSAVG: 4197800 -3.8039 42.6232 -7.57762 43.3452 0.11198 -28.5631 -9.83636 -25.9941 20.9742 TIMING: 4197800 CPU: 12154.7, 0.00289094/step Wall: 12154.7, 0.00289094/step, 0.644198 hours remaining, 212.019531 MB of memory in use. ENERGY: 4197800 775.6689 2087.3411 1942.2999 94.9292 -206636.3252 18098.3311 0.0000 0.0000 34204.1390 -149433.6159 298.7133 -183637.7549 -149333.6618 299.0408 67.1027 97.0929 557379.1963 5.8394 5.7608 PRESSURE: 4198000 184.9 -77.8139 21.2484 -77.8139 5.08196 -80.7377 21.2478 -80.7366 72.493 GPRESSURE: 4198000 205.741 -88.3543 80.3643 -79.2735 52.0091 -76.3988 30.8922 -60.5928 91.5234 PRESSAVG: 4198000 -6.16941 58.1283 32.7458 58.1283 -10.5561 8.01463 32.7458 8.01456 -6.8663 GPRESSAVG: 4198000 -4.87122 58.641 31.9419 59.1291 -11.4739 9.93591 33.7684 8.38418 -7.53555 TIMING: 4198000 CPU: 12155.3, 0.00287491/step Wall: 12155.3, 0.00287491/step, 0.640466 hours remaining, 212.019531 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: 4198000 761.4187 2112.2932 1969.5953 123.6174 -206568.2741 17871.7679 0.0000 0.0000 34402.2710 -149327.3107 300.4436 -183729.5817 -149227.4912 298.7618 87.4918 116.4247 556833.5165 -7.8639 -7.9602 PRESSURE: 4198200 -97.8073 24.3045 -9.45414 24.3041 -246.13 63.0243 -9.45261 63.0229 -63.6946 GPRESSURE: 4198200 -78.8074 -63.7539 45.1103 91.8027 -141.289 16.2768 -25.6626 57.6426 -81.5154 PRESSAVG: 4198200 -2.15483 -3.26502 24.5875 -3.265 -1.16838 -14.7153 24.5874 -14.7153 36.2187 GPRESSAVG: 4198200 -3.33456 -3.94906 24.5454 -3.78145 -0.798448 -17.862 24.0043 -13.7867 36.6552 TIMING: 4198200 CPU: 12155.9, 0.00287993/step Wall: 12155.9, 0.00287993/step, 0.641424 hours remaining, 212.019531 MB of memory in use. ENERGY: 4198200 799.5449 2130.7956 1938.1811 110.8947 -206357.2396 17733.0783 0.0000 0.0000 34250.9935 -149393.7515 299.1224 -183644.7450 -149300.8665 299.0450 -135.8772 -100.5374 557201.8441 10.9652 10.8407 PRESSURE: 4198400 -34.3455 -67.6827 -71.4473 -67.6811 -250.086 37.2118 -71.445 37.2117 -248.62 GPRESSURE: 4198400 -24.1021 -19.7727 -40.4665 -138.471 -257.003 -46.6003 -10.7588 118.657 -163.237 PRESSAVG: 4198400 17.7364 30.8339 35.4349 30.8339 -42.1939 -7.56504 35.435 -7.56516 60.7101 GPRESSAVG: 4198400 18.2196 31.6099 35.3047 31.7423 -42.4834 -4.62911 36.6454 -8.73735 60.4415 TIMING: 4198400 CPU: 12156.5, 0.00286533/step Wall: 12156.5, 0.00286533/step, 0.638013 hours remaining, 212.019531 MB of memory in use. ENERGY: 4198400 753.8130 2111.3574 1957.6122 101.3305 -206033.8462 17647.4652 0.0000 0.0000 34045.8424 -149416.4256 297.3308 -183462.2680 -149323.6300 298.5322 -177.6837 -148.1138 558649.8515 12.0842 12.0592 PRESSURE: 4198600 45.6163 -7.36544 -60.0603 -7.36448 77.5907 -13.5522 -60.0594 -13.5537 83.9506 GPRESSURE: 4198600 34.2234 1.5595 -41.5519 -2.65532 135.918 -43.1659 -93.7861 -34.2116 144.819 PRESSAVG: 4198600 -7.76325 67.6271 -20.1546 67.6272 6.35628 73.9355 -20.1545 73.9356 18.0392 GPRESSAVG: 4198600 -9.04661 68.4923 -23.4215 68.1547 7.05148 71.5777 -19.1573 74.6402 18.976 TIMING: 4198600 CPU: 12157, 0.00284858/step Wall: 12157, 0.00284858/step, 0.634126 hours remaining, 212.019531 MB of memory in use. ENERGY: 4198600 704.1350 2152.3404 1970.7075 107.2795 -206429.1146 17748.7361 0.0000 0.0000 34312.6717 -149433.2444 299.6611 -183745.9161 -149330.7872 298.2656 69.0525 104.9868 557644.3358 5.5441 5.6603 PRESSURE: 4198800 214.355 19.6007 -3.06343 19.6004 -113.774 192.152 -3.06123 192.153 236.11 GPRESSURE: 4198800 262.622 28.7389 27.4853 1.79782 -54.4272 183.747 -50.8426 247.763 221.605 PRESSAVG: 4198800 -50.365 47.7788 12.815 47.7788 -39.9756 113.85 12.8151 113.85 80.7612 GPRESSAVG: 4198800 -49.3489 45.2198 15.8048 46.9364 -39.3629 114.063 9.48513 115.281 79.0819 TIMING: 4198800 CPU: 12157.6, 0.00286991/step Wall: 12157.6, 0.00286991/step, 0.638714 hours remaining, 212.019531 MB of memory in use. ENERGY: 4198800 758.1369 2081.2554 1972.4217 104.8403 -206452.1486 17908.0044 0.0000 0.0000 34156.1202 -149471.3697 298.2939 -183627.4899 -149382.9207 298.6230 112.2307 143.2665 555465.5229 -3.1931 -3.2099 PRESSURE: 4199000 90.1873 105.469 -26.0272 105.469 -71.5806 67.0345 -26.0272 67.0347 -132.255 GPRESSURE: 4199000 117.979 103.056 -19.3629 110.708 -56.3189 21.058 -38.2747 173.702 -65.3157 PRESSAVG: 4199000 37.9791 -19.1421 21.061 -19.1421 -72.7072 84.8616 21.061 84.8616 39.7049 GPRESSAVG: 4199000 37.5544 -15.2962 18.4151 -18.7061 -72.6713 83.3163 22.3594 83.4084 40.3213 TIMING: 4199000 CPU: 12158.2, 0.00287758/step Wall: 12158.2, 0.00287758/step, 0.640261 hours remaining, 212.019531 MB of memory in use. ENERGY: 4199000 738.5641 2122.1414 1951.9589 108.0310 -206237.4022 17754.0595 0.0000 0.0000 34072.9729 -149489.6745 297.5677 -183562.6473 -149392.2843 298.2833 -37.8826 -1.2184 556319.8843 1.6589 1.7348 PRESSURE: 4199200 241.383 -46.3914 -20.3087 -46.3922 2.42639 -81.6518 -20.309 -81.6522 -61.0966 GPRESSURE: 4199200 285.235 12.3463 28.7694 -77.4643 36.6274 14.102 -39.6772 -42.7988 -33.7186 PRESSAVG: 4199200 1.51633 14.5783 0.26329 14.5784 -4.53561 -23.3695 0.263292 -23.3695 14.7731 GPRESSAVG: 4199200 1.62981 14.5414 0.406852 13.8737 -5.15045 -21.7294 -0.564117 -23.86 14.7206 TIMING: 4199200 CPU: 12158.8, 0.0029034/step Wall: 12158.8, 0.0029034/step, 0.645845 hours remaining, 212.019531 MB of memory in use. ENERGY: 4199200 773.9472 2104.4825 1945.5488 100.3126 -206633.0626 18136.6240 0.0000 0.0000 34207.0448 -149365.1026 298.7386 -183572.1474 -149261.7792 298.1336 60.9041 96.0479 557235.1461 3.9179 3.7333 PRESSURE: 4199400 87.0014 74.2732 -45.7151 74.2749 -62.7624 -177.406 -45.7148 -177.407 -242.02 GPRESSURE: 4199400 106.903 128.401 -8.21111 133.342 -17.5806 -232.884 -145.962 -169.205 -205.693 PRESSAVG: 4199400 7.60884 59.2161 29.4122 59.2161 -10.6214 -7.95986 29.4121 -7.95986 16.1319 GPRESSAVG: 4199400 7.18322 59.5808 30.9193 60.0799 -10.8969 -8.55892 30.8954 -8.70633 16.597 TIMING: 4199400 CPU: 12159.3, 0.00287/step Wall: 12159.3, 0.00287/step, 0.638255 hours remaining, 212.019531 MB of memory in use. ENERGY: 4199400 737.3407 2122.3995 1926.6726 112.7773 -206212.5504 17594.0555 0.0000 0.0000 34416.4116 -149302.8931 300.5671 -183719.3048 -149207.5799 298.5897 -72.5938 -38.7901 556805.9378 4.3731 4.2944 PRESSURE: 4199600 -67.2863 133.214 160.116 133.213 -65.3992 -162.826 160.117 -162.824 162.937 GPRESSURE: 4199600 -48.0916 89.6657 182.672 168.95 -37.6311 -148.23 207.141 -172.31 218.489 PRESSAVG: 4199600 32.4059 0.0643742 -13.8368 0.0644046 -53.4881 24.6271 -13.8368 24.6271 39.0186 GPRESSAVG: 4199600 33.9607 -1.74786 -16.4075 0.568277 -53.1692 25.3847 -12.7823 27.3665 37.3416 TIMING: 4199600 CPU: 12159.9, 0.00288074/step Wall: 12159.9, 0.00288074/step, 0.640484 hours remaining, 212.019531 MB of memory in use. ENERGY: 4199600 738.5591 2134.6545 1971.4497 122.4213 -206354.1691 17948.9107 0.0000 0.0000 34173.4450 -149264.7287 298.4452 -183438.1737 -149167.7008 299.0859 10.0837 44.2556 557364.8252 5.9788 6.0444 PRESSURE: 4199800 180.46 -181.536 -19.9313 -181.536 -262.821 -11.0238 -19.9308 -11.0233 250.301 GPRESSURE: 4199800 179.37 -113.82 -18.3586 -155.343 -187.038 109.426 23.0499 -92.2151 273.804 PRESSAVG: 4199800 -31.2647 -41.2168 11.7644 -41.2168 -37.3986 26.4241 11.7644 26.4241 73.6016 GPRESSAVG: 4199800 -33.5223 -41.1559 11.0019 -43.5384 -36.4869 25.4603 11.5004 24.8061 74.7377 TIMING: 4199800 CPU: 12160.5, 0.00287421/step Wall: 12160.5, 0.00287421/step, 0.638873 hours remaining, 212.019531 MB of memory in use. ENERGY: 4199800 743.6773 2125.8996 1935.7098 113.5418 -206694.1546 18122.9038 0.0000 0.0000 34343.8975 -149308.5249 299.9338 -183652.4224 -149212.5816 298.6589 55.9797 88.7120 557689.4582 1.6461 1.5762 PRESSURE: 4200000 9.71559 180.968 -54.6828 180.968 225.81 -174.762 -54.6819 -174.761 133.694 GPRESSURE: 4200000 96.3437 221.774 -71.7692 111.984 255.029 -147.588 12.8923 -158.741 99.2231 PRESSAVG: 4200000 8.39933 15.6585 20.4884 15.6584 -55.2146 4.72819 20.4884 4.72817 22.4579 GPRESSAVG: 4200000 9.69598 16.7488 20.7506 14.2786 -54.9785 4.321 20.7696 5.8724 20.9786 TIMING: 4200000 CPU: 12161.1, 0.00288797/step Wall: 12161.1, 0.00288797/step, 0.641771 hours remaining, 212.019531 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: 4200000 733.2382 2116.1664 1944.5524 106.6343 -206524.6137 18055.3531 0.0000 0.0000 34310.6340 -149258.0353 299.6433 -183568.6693 -149158.1130 298.7968 123.0732 150.1986 556262.6191 -8.1191 -8.1013 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4200000 WRITING COORDINATES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4200200 73.033 -44.7885 -18.3951 -44.7885 -201.741 -136.622 -18.3948 -136.622 -149.307 GPRESSURE: 4200200 55.8879 -61.6082 6.21197 -69.6143 -106.388 -176.299 -4.27431 -29.2334 -129.709 PRESSAVG: 4200200 37.4277 2.53699 26.2332 2.53703 17.3828 18.5503 26.2331 18.5502 -71.9477 GPRESSAVG: 4200200 36.5498 2.10648 31.6018 4.37739 18.0027 18.0972 21.2264 17.3648 -71.4086 TIMING: 4200200 CPU: 12161.7, 0.00296652/step Wall: 12161.7, 0.00296652/step, 0.659063 hours remaining, 212.019531 MB of memory in use. ENERGY: 4200200 747.6600 2179.5682 1943.1660 104.7588 -206240.4902 17768.2304 0.0000 0.0000 34233.6849 -149263.4218 298.9713 -183497.1068 -149159.7862 299.6692 -92.6717 -60.0700 556447.4462 -5.7124 -5.6187 LDB: ============= START OF LOAD BALANCING ============== 12165 LDB: ============== END OF LOAD BALANCING =============== 12165 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12165 LDB: ============= START OF LOAD BALANCING ============== 12165.3 LDB: Largest compute 4773 load 0.025581 is 21.7% of average load 0.118076 LDB: Average compute 0.001735 is 1.5% of average load 0.118076 LDB: TIME 12165.3 LOAD: AVG 0.118076 MAX 0.178239 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.105 MB LDB: TIME 12165.3 LOAD: AVG 0.118076 MAX 0.178239 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.145 MB LDB: TIME 12165.3 LOAD: AVG 0.118076 MAX 0.178239 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12165.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12165.3 PRESSURE: 4200400 58.1754 97.7814 -48.974 97.7814 47.774 80.8474 -48.9739 80.8473 -256.388 GPRESSURE: 4200400 97.2697 -37.4863 -9.22702 146.443 78.4668 158.94 13.9544 132.493 -224.87 PRESSAVG: 4200400 61.2163 -3.79162 -34.4535 -3.79171 -2.79148 51.0623 -34.4535 51.0623 -31.059 GPRESSAVG: 4200400 61.5246 -4.55364 -37.2507 -3.10664 -2.75784 54.7876 -30.9601 48.2522 -31.4613 TIMING: 4200400 CPU: 12162.2, 0.00292358/step Wall: 12162.2, 0.00292358/step, 0.64936 hours remaining, 210.343750 MB of memory in use. ENERGY: 4200400 758.2056 2081.9184 1933.3650 112.6157 -206022.9861 17659.5230 0.0000 0.0000 34312.2529 -149165.1054 299.6574 -183477.3583 -149063.0925 298.9545 -50.1462 -16.3778 556574.9559 9.1219 9.1018 PRESSURE: 4200600 433.677 238.866 -8.73527 238.866 79.0328 79.7931 -8.73583 79.7939 256.383 GPRESSURE: 4200600 415.348 249.322 41.3679 180.076 141.058 85.2554 -30.1307 19.2754 289.666 PRESSAVG: 4200600 -32.1643 -20.1082 -6.68732 -20.1081 7.98257 31.0218 -6.68725 31.0216 19.0912 GPRESSAVG: 4200600 -31.3719 -19.073 -5.92984 -19.1376 6.17139 28.5178 -6.74767 30.8158 19.5474 TIMING: 4200600 CPU: 12162.8, 0.00286151/step Wall: 12162.8, 0.00286151/step, 0.635415 hours remaining, 210.343750 MB of memory in use. ENERGY: 4200600 725.0289 2141.4159 1915.3002 118.5291 -206626.3390 18276.8279 0.0000 0.0000 34427.8018 -149021.4354 300.6666 -183449.2371 -148922.2017 300.1597 256.3641 282.0242 556068.6746 -1.6968 -1.8844 PRESSURE: 4200800 -181.263 65.8485 32.184 65.849 -10.6632 175.185 32.1845 175.184 63.3014 GPRESSURE: 4200800 -165.148 88.754 -12.5164 35.4196 13.5284 78.4796 94.5092 207.623 110.275 PRESSAVG: 4200800 10.3063 -14.8701 15.1115 -14.87 6.85517 91.8311 15.1115 91.831 -11.3936 GPRESSAVG: 4200800 9.95758 -13.4861 14.0894 -17.3296 7.68335 91.1719 14.9336 94.663 -11.6965 TIMING: 4200800 CPU: 12163.4, 0.00287862/step Wall: 12163.4, 0.00287862/step, 0.639054 hours remaining, 210.343750 MB of memory in use. ENERGY: 4200800 756.9275 2135.0781 1981.5767 121.7757 -206204.2038 17832.1593 0.0000 0.0000 34303.2529 -149073.4336 299.5788 -183376.6865 -148974.1736 299.5281 -42.8748 -13.7816 557450.2746 1.9226 1.9815 PRESSURE: 4201000 131.941 124.21 46.1198 124.209 104.474 -109.261 46.1199 -109.261 -110.743 GPRESSURE: 4201000 187.83 156.325 -44.8109 243.37 106.909 -152.118 15.7016 -181.135 -87.4342 PRESSAVG: 4201000 -76.953 -8.74818 50.7924 -8.74824 23.6973 -6.27424 50.7923 -6.2742 -16.1656 GPRESSAVG: 4201000 -77.3128 -9.92865 49.4474 -7.56454 22.964 -5.67146 51.1743 -7.4913 -15.3425 TIMING: 4201000 CPU: 12164, 0.00286205/step Wall: 12164, 0.00286205/step, 0.635215 hours remaining, 210.343750 MB of memory in use. ENERGY: 4201000 767.6740 2121.4966 1946.4866 117.4857 -205980.9053 17805.1633 0.0000 0.0000 34041.7184 -149180.8807 297.2948 -183222.5991 -149079.2518 299.4847 41.8903 69.1015 558589.8423 -23.1404 -23.2304 PRESSURE: 4201200 4.79182 60.7627 -233.463 60.7611 241.853 -9.65482 -233.464 -9.65467 291.769 GPRESSURE: 4201200 31.7516 12.2165 -234.341 83.3946 271.432 -123.3 -250.503 106.469 329.052 PRESSAVG: 4201200 -34.6999 4.05702 -51.5447 4.05696 15.76 -4.27663 -51.5447 -4.27657 36.1736 GPRESSAVG: 4201200 -34.6762 4.04625 -50.6805 3.04303 15.7915 -3.06945 -53.1511 -4.89791 36.1466 TIMING: 4201200 CPU: 12164.5, 0.00289483/step Wall: 12164.5, 0.00289483/step, 0.642331 hours remaining, 210.343750 MB of memory in use. ENERGY: 4201200 759.7089 2105.1573 1946.9376 116.2927 -206345.7511 18042.6899 0.0000 0.0000 34279.2937 -149095.6710 299.3696 -183374.9647 -149001.6817 299.0223 179.4713 210.7451 556374.0627 5.7446 5.7540 PRESSURE: 4201400 254.256 -186.949 23.4618 -186.949 84.1573 56.9508 23.4634 56.951 -167.134 GPRESSURE: 4201400 246.941 -142.732 -31.1285 -202.278 123.074 33.5076 22.4306 56.3798 -96.7143 PRESSAVG: 4201400 21.3986 52.1389 -16.0745 52.1388 64.0186 -29.0947 -16.0745 -29.0948 -35.0318 GPRESSAVG: 4201400 22.0548 52.0242 -17.4122 51.7297 64.0623 -29.5199 -16.121 -28.2599 -35.8577 TIMING: 4201400 CPU: 12165.1, 0.00286701/step Wall: 12165.1, 0.00286701/step, 0.635999 hours remaining, 210.343750 MB of memory in use. ENERGY: 4201400 766.8091 2063.8666 1930.0283 99.8346 -206427.1135 17998.9210 0.0000 0.0000 34374.9022 -149192.7517 300.2046 -183567.6539 -149087.0813 299.8025 57.0932 91.1001 556232.9824 16.7951 16.7531 PRESSURE: 4201600 -205.851 -206.815 -110.153 -206.815 -56.435 -59.0391 -110.153 -59.0396 -115.852 GPRESSURE: 4201600 -177.514 -168.154 -16.281 -261.391 8.55901 -72.771 -170.559 -1.22131 -102.853 PRESSAVG: 4201600 65.6985 -6.90336 16.7191 -6.90339 -37.2237 16.2293 16.7192 16.2293 -41.5097 GPRESSAVG: 4201600 65.0463 -8.08259 19.3239 -5.59976 -36.3931 16.6051 17.7253 14.6849 -41.017 TIMING: 4201600 CPU: 12165.7, 0.00286817/step Wall: 12165.7, 0.00286817/step, 0.636097 hours remaining, 210.343750 MB of memory in use. ENERGY: 4201600 743.0605 2096.4187 1929.5677 105.4660 -205929.1719 17602.8602 0.0000 0.0000 34296.8965 -149154.9023 299.5233 -183451.7989 -149056.1337 299.8018 -126.0459 -90.6026 558070.5448 -4.3450 -4.1213 PRESSURE: 4201800 52.8705 -6.92245 146.288 -6.922 264.871 2.23265 146.287 2.23355 12.8257 GPRESSURE: 4201800 85.0723 -73.467 96.3112 71.5335 240.289 -41.9368 195.33 -72.7312 90.156 PRESSAVG: 4201800 7.51802 2.6857 46.3413 2.68561 11.4334 -36.9823 46.3414 -36.9823 -2.09098 GPRESSAVG: 4201800 6.59869 4.73833 47.1823 3.88819 10.9832 -37.9102 46.782 -36.6611 -1.15692 TIMING: 4201800 CPU: 12166.3, 0.00287628/step Wall: 12166.3, 0.00287628/step, 0.637736 hours remaining, 210.343750 MB of memory in use. ENERGY: 4201800 800.7268 2090.8599 1972.0489 109.8929 -206483.6414 18232.5624 0.0000 0.0000 34194.3546 -149083.1959 298.6278 -183277.5505 -148997.6347 299.1549 110.1892 138.5057 557309.2219 5.6201 5.4750 PRESSURE: 4202000 73.7614 -47.5914 65.4362 -47.5914 196.771 -82.165 65.4371 -82.1642 -67.926 GPRESSURE: 4202000 85.2746 -23.3826 113.25 -86.7588 237.422 -95.3633 -12.0158 -39.6167 -16.3254 PRESSAVG: 4202000 6.54418 -4.7595 85.1886 -4.75945 52.8627 41.3229 85.1885 41.3229 -28.457 GPRESSAVG: 4202000 7.08593 -5.63042 80.8503 -5.35624 52.9744 41.9125 86.204 41.8237 -29.1019 TIMING: 4202000 CPU: 12166.8, 0.00286194/step Wall: 12166.8, 0.00286194/step, 0.634396 hours remaining, 210.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4202000 744.1926 2078.8548 1915.0798 117.4475 -206126.4169 17985.7631 0.0000 0.0000 34174.0253 -149111.0538 298.4503 -183285.0791 -149014.1617 299.2976 67.5355 102.1238 556479.5223 10.3166 10.3195 PRESSURE: 4202200 309.419 -246.47 -13.4028 -246.47 255.033 8.16527 -13.4033 8.16442 96.4035 GPRESSURE: 4202200 319.161 -234.662 -33.8697 -174.033 309.059 -6.57644 -60.5538 -2.99002 125.759 PRESSAVG: 4202200 -24.6117 12.9069 16.6331 12.9068 34.9387 40.7987 16.6332 40.7986 45.8406 GPRESSAVG: 4202200 -24.9822 14.5043 18.9201 11.1143 35.0404 40.5828 15.535 39.6694 46.2195 TIMING: 4202200 CPU: 12167.4, 0.00286947/step Wall: 12167.4, 0.00286947/step, 0.635906 hours remaining, 210.343750 MB of memory in use. ENERGY: 4202200 732.3121 2120.7115 1930.5229 111.5288 -206438.1731 18020.8125 0.0000 0.0000 34348.1638 -149174.1215 299.9711 -183522.2853 -149083.9176 299.7593 220.2851 251.3267 555584.1091 18.7225 18.7593 PRESSURE: 4202400 14.085 -66.3354 92.7423 -66.336 -131.864 -52.4947 92.7415 -52.4946 -79.7871 GPRESSURE: 4202400 5.32248 -31.3265 117.829 -102.914 -92.5352 -39.6599 111.288 -25.7034 -11.7629 PRESSAVG: 4202400 -6.91501 -40.775 36.9114 -40.775 -18.1978 -37.6631 36.9115 -37.6631 75.7808 GPRESSAVG: 4202400 -6.97914 -42.0875 36.0312 -37.994 -17.5904 -39.0409 38.7477 -35.1819 75.126 TIMING: 4202400 CPU: 12168, 0.00286686/step Wall: 12168, 0.00286686/step, 0.635169 hours remaining, 210.343750 MB of memory in use. ENERGY: 4202400 747.6993 2111.2875 1948.7910 106.8060 -206349.1168 17772.4849 0.0000 0.0000 34442.1933 -149219.8547 300.7922 -183662.0480 -149123.4518 300.2051 -65.8555 -32.9919 556541.8155 16.8893 16.8522 PRESSURE: 4202600 -131.725 5.50692 -154.923 5.50681 -15.6344 -48.7038 -154.923 -48.7042 -219.107 GPRESSURE: 4202600 -103.492 1.78626 -41.434 -42.504 43.7429 -45.1632 -213.588 41.2613 -190.972 PRESSAVG: 4202600 30.5375 -36.1088 8.17333 -36.1088 -67.1828 -5.58635 8.17336 -5.58619 15.9528 GPRESSAVG: 4202600 32.1242 -35.5609 7.84117 -38.7554 -67.8014 -5.05329 6.05677 -6.95605 15.1402 TIMING: 4202600 CPU: 12168.6, 0.00289131/step Wall: 12168.6, 0.00289131/step, 0.640425 hours remaining, 210.343750 MB of memory in use. ENERGY: 4202600 754.6039 2159.7489 1978.6483 105.6208 -205910.8546 17546.2681 0.0000 0.0000 34069.9790 -149295.9856 297.5416 -183365.9646 -149196.6569 299.5475 -122.1552 -83.5739 557200.8785 -6.8975 -6.8457 PRESSURE: 4202800 237.227 -64.0432 -181.229 -64.0436 117.5 98.7217 -181.227 98.7215 38.1548 GPRESSURE: 4202800 321.923 18.7644 -275.198 -49.5644 73.7994 134.097 -74.1141 148.153 85.4873 PRESSAVG: 4202800 -36.1997 -7.4982 -50.6356 -7.49827 22.9695 8.59577 -50.6354 8.59583 15.2584 GPRESSAVG: 4202800 -37.4515 -8.08471 -50.9798 -7.24061 22.3842 10.851 -50.2877 7.82638 17.3172 TIMING: 4202800 CPU: 12169.1, 0.00287877/step Wall: 12169.1, 0.00287877/step, 0.637488 hours remaining, 210.343750 MB of memory in use. ENERGY: 4202800 740.5637 2055.5683 1945.0110 115.0450 -206646.2157 18051.2257 0.0000 0.0000 34231.4175 -149507.3845 298.9515 -183738.8020 -149409.4441 299.3526 130.9608 160.4033 556756.2281 0.6761 0.7500 PRESSURE: 4203000 -168.289 -153.132 -118.684 -153.132 -4.65596 150.39 -118.684 150.392 -129.475 GPRESSURE: 4203000 -164.529 -144.861 -145.165 -161.305 19.6043 181.713 -101.89 103.775 -62.3085 PRESSAVG: 4203000 1.8801 -10.2075 -50.2305 -10.2075 36.242 30.7195 -50.2306 30.7196 -2.76198 GPRESSAVG: 4203000 1.37674 -12.0703 -49.299 -8.96888 38.2101 28.5303 -50.6815 31.2966 -3.91577 TIMING: 4203000 CPU: 12169.7, 0.00288519/step Wall: 12169.7, 0.00288519/step, 0.638748 hours remaining, 210.343750 MB of memory in use. ENERGY: 4203000 803.0438 2070.1203 1923.2757 104.4551 -206683.4281 17942.0384 0.0000 0.0000 34180.5287 -149659.9661 298.5071 -183840.4948 -149566.0537 298.9025 -100.8065 -69.0778 556182.3061 11.7867 11.8903 PRESSURE: 4203200 410.41 -9.72563 -16.4563 -9.72515 -37.7085 94.4857 -16.4561 94.4856 283.653 GPRESSURE: 4203200 424.905 -16.597 -6.53662 29.8199 59.4298 121.739 -105.549 80.6258 267.752 PRESSAVG: 4203200 -25.1304 -0.870606 -51.726 -0.870576 44.4546 64.7425 -51.726 64.7425 -46.0163 GPRESSAVG: 4203200 -24.9834 1.10389 -53.1277 0.235938 42.9826 64.8357 -52.3254 65.0273 -44.6175 TIMING: 4203200 CPU: 12170.3, 0.0028705/step Wall: 12170.3, 0.0028705/step, 0.635338 hours remaining, 210.343750 MB of memory in use. ENERGY: 4203200 715.4638 2029.5654 1950.5748 110.3562 -206724.7157 18076.4623 0.0000 0.0000 34281.7995 -149560.4937 299.3915 -183842.2932 -149459.2176 298.8874 218.7849 250.6955 556263.3327 -8.8974 -8.8727 PRESSURE: 4203400 230.504 45.4183 40.029 45.4169 54.0557 -13.7504 40.0281 -13.7493 98.3476 GPRESSURE: 4203400 275.217 119.194 62.8214 -14.6054 130.421 -66.3683 56.3332 29.2918 84.4205 PRESSAVG: 4203400 50.9839 -8.97762 11.8774 -8.97759 -0.180992 -44.3864 11.8773 -44.3863 -65.421 GPRESSAVG: 4203400 51.7909 -8.129 12.2613 -10.541 2.22503 -46.3486 11.3654 -43.1649 -67.8393 TIMING: 4203400 CPU: 12170.9, 0.00286283/step Wall: 12170.9, 0.00286283/step, 0.63348 hours remaining, 210.343750 MB of memory in use. ENERGY: 4203400 713.0340 2080.2118 1958.4380 113.3453 -206448.7848 17979.6506 0.0000 0.0000 33843.0565 -149761.0485 295.5598 -183604.1050 -149666.2564 297.7922 127.6357 163.3529 555315.1710 -4.8727 -4.6078 PRESSURE: 4203600 279.677 -74.2721 182.221 -74.2731 123.662 -1.4233 182.22 -1.42311 94.6357 GPRESSURE: 4203600 284.079 -76.8469 301.465 -82.1162 118.98 6.64139 190.821 36.2131 187.772 PRESSAVG: 4203600 26.8407 -40.8412 -50.9019 -40.8412 33.151 -29.192 -50.902 -29.192 -61.2021 GPRESSAVG: 4203600 27.6527 -42.5324 -48.4918 -39.8788 31.1495 -27.2469 -51.0304 -30.7154 -60.1541 TIMING: 4203600 CPU: 12171.4, 0.00285036/step Wall: 12171.4, 0.00285036/step, 0.630562 hours remaining, 210.343750 MB of memory in use. ENERGY: 4203600 720.7636 2128.6828 1939.7937 108.8455 -206862.1840 18200.3027 0.0000 0.0000 33948.2337 -149815.5619 296.4784 -183763.7957 -149718.4375 297.5563 165.9914 196.9439 558444.6712 -0.4035 -0.4506 PRESSURE: 4203800 262.259 -142.724 5.21377 -142.724 208.49 -44.623 5.21426 -44.6233 -171.16 GPRESSURE: 4203800 271.577 -122.905 29.9849 -126.276 195.523 -68.6613 28.0798 -10.3288 -76.2324 PRESSAVG: 4203800 -44.8872 5.66379 38.7473 5.66378 24.8536 -15.1958 38.7473 -15.196 -30.3221 GPRESSAVG: 4203800 -46.0298 7.21668 38.5733 3.51151 25.3905 -14.1187 39.3783 -15.7074 -30.1854 TIMING: 4203800 CPU: 12172, 0.00284934/step Wall: 12172, 0.00284934/step, 0.63018 hours remaining, 210.343750 MB of memory in use. ENERGY: 4203800 723.6016 2123.2640 1953.6545 108.2182 -206709.4494 18105.2961 0.0000 0.0000 33818.4779 -149876.9371 295.3452 -183695.4150 -149783.2704 296.2857 99.8629 130.2894 557717.9781 -16.7853 -16.9416 PRESSURE: 4204000 47.7875 -80.3135 186.398 -80.3133 -163.785 152.858 186.399 152.858 -28.803 GPRESSURE: 4204000 79.6525 -142.992 137.53 -93.573 -160.305 35.5522 65.0047 87.2696 40.6945 PRESSAVG: 4204000 25.1035 -41.7215 -12.2874 -41.7215 9.49996 32.5051 -12.2875 32.505 -27.0141 GPRESSAVG: 4204000 24.7943 -43.1606 -14.1355 -40.3469 8.63389 30.8699 -12.7716 34.0903 -26.1613 TIMING: 4204000 CPU: 12172.6, 0.00285841/step Wall: 12172.6, 0.00285841/step, 0.632027 hours remaining, 210.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4204000 723.1503 2101.3286 1968.8544 118.4673 -206551.8180 17647.2982 0.0000 0.0000 34008.1624 -149984.5567 297.0017 -183992.7191 -149890.8687 296.6857 -48.2669 -13.3195 555293.6866 2.5298 2.4223 PRESSURE: 4204200 -237.199 221.319 104.1 221.32 -41.1642 5.19131 104.101 5.19201 -353.552 GPRESSURE: 4204200 -223.024 196.416 55.901 208.65 2.7471 24.4783 64.8127 46.7283 -303.083 PRESSAVG: 4204200 9.41522 4.01471 -2.75256 4.01466 66.1235 26.0336 -2.75262 26.0336 -44.8486 GPRESSAVG: 4204200 10.5112 4.94803 -3.7539 3.22934 65.3486 26.9694 -1.85247 26.5863 -45.0123 TIMING: 4204200 CPU: 12173.1, 0.00283636/step Wall: 12173.1, 0.00283636/step, 0.626993 hours remaining, 210.343750 MB of memory in use. ENERGY: 4204200 726.4360 2094.0053 1949.1438 119.5923 -206574.2470 17626.5443 0.0000 0.0000 33969.3887 -150089.1366 296.6631 -184058.5254 -149992.5301 296.5422 -210.6384 -174.4534 555763.1759 10.2300 10.2825 LDB: ============= START OF LOAD BALANCING ============== 12176.5 LDB: ============== END OF LOAD BALANCING =============== 12176.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12176.5 LDB: ============= START OF LOAD BALANCING ============== 12176.8 LDB: Largest compute 4773 load 0.024112 is 20.4% of average load 0.118076 LDB: Average compute 0.001729 is 1.5% of average load 0.118076 LDB: TIME 12176.8 LOAD: AVG 0.118076 MAX 0.177845 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.66 MB LDB: TIME 12176.8 LOAD: AVG 0.118076 MAX 0.177845 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.688 MB LDB: TIME 12176.8 LOAD: AVG 0.118076 MAX 0.177845 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.688 MB LDB: ============== END OF LOAD BALANCING =============== 12176.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12176.8 PRESSURE: 4204400 -24.2446 -127.608 -113.081 -127.608 -24.9674 13.2582 -113.082 13.2571 -185.743 GPRESSURE: 4204400 -8.63769 -110.46 -123.154 -144.315 23.4308 -18.5649 -102.578 87.8979 -148.752 PRESSAVG: 4204400 -15.4354 7.50534 -29.2733 7.50546 73.6194 -34.9631 -29.2733 -34.963 -54.8936 GPRESSAVG: 4204400 -15.4352 5.6987 -28.9139 7.58602 74.2385 -33.6398 -27.5339 -37.3345 -55.6073 TIMING: 4204400 CPU: 12173.7, 0.00290536/step Wall: 12173.7, 0.00290536/step, 0.642084 hours remaining, 209.843750 MB of memory in use. ENERGY: 4204400 742.8300 2122.5390 1965.3358 103.9822 -206623.3050 18022.8319 0.0000 0.0000 33786.6668 -149879.1193 295.0674 -183665.7861 -149782.5702 297.0430 -78.3182 -44.6531 556818.3758 1.0968 1.0653 PRESSURE: 4204600 -17.6863 -51.1002 38.248 -51.1005 -169.465 95.7983 38.2488 95.7984 14.6074 GPRESSURE: 4204600 7.33785 -65.5666 120.387 -16.0584 -132.78 116.937 53.4626 28.196 46.2936 PRESSAVG: 4204600 -5.02588 5.25363 -3.62438 5.25365 54.8523 -0.657754 -3.62447 -0.657881 -93.7925 GPRESSAVG: 4204600 -5.49432 7.32624 -1.94144 5.14753 55.2438 -1.02045 -6.34914 0.811296 -93.9955 TIMING: 4204600 CPU: 12174.3, 0.00285926/step Wall: 12174.3, 0.00285926/step, 0.631738 hours remaining, 209.843750 MB of memory in use. ENERGY: 4204600 743.0051 2054.2099 1944.6828 118.4712 -206523.3719 17781.4543 0.0000 0.0000 34282.1021 -149599.4465 299.3941 -183881.5487 -149509.3068 298.1617 -57.5148 -26.3827 554531.5637 -14.6554 -14.7487 PRESSURE: 4204800 131.967 -24.4549 -53.1369 -24.4546 153.353 -2.92932 -53.1363 -2.9297 339.571 GPRESSURE: 4204800 140.081 9.46982 -110.823 -25.1345 236.493 -15.3771 -36.5598 -26.9369 347.942 PRESSAVG: 4204800 -25.4568 47.3622 11.8227 47.3623 35.8494 11.3431 11.8226 11.343 -29.621 GPRESSAVG: 4204800 -26.1446 45.5244 12.6791 49.2039 36.5243 11.4901 11.9976 10.136 -29.0402 TIMING: 4204800 CPU: 12174.9, 0.00287708/step Wall: 12174.9, 0.00287708/step, 0.635514 hours remaining, 209.843750 MB of memory in use. ENERGY: 4204800 715.2176 2110.0783 1956.4276 117.3301 -206495.1377 18125.3308 0.0000 0.0000 34053.2476 -149417.5057 297.3955 -183470.7533 -149329.3940 298.2127 208.2971 241.5053 557619.9979 -6.4095 -6.2202 PRESSURE: 4205000 241.22 -177.317 73.3615 -177.317 -235.383 -90.1047 73.3617 -90.1049 -70.9716 GPRESSURE: 4205000 264.053 -176.439 80.6617 -107.016 -189.005 -54.3135 39.8447 -124.262 -38.8031 PRESSAVG: 4205000 33.5406 15.1189 32.1813 15.1188 -48.8483 -8.80851 32.1813 -8.80845 24.1948 GPRESSAVG: 4205000 33.4839 16.9682 30.6679 14.5518 -49.2004 -7.82823 31.9701 -8.99316 24.7251 TIMING: 4205000 CPU: 12175.4, 0.00284017/step Wall: 12175.4, 0.00284017/step, 0.627205 hours remaining, 209.843750 MB of memory in use. ENERGY: 4205000 694.5402 2111.7850 1963.6101 127.7274 -206053.3635 17665.5920 0.0000 0.0000 34192.6553 -149297.4537 298.6130 -183490.1089 -149193.6575 298.6333 -21.7113 12.0815 557743.1336 2.9623 3.0029 PRESSURE: 4205200 101.728 114.15 194.211 114.15 210.842 -63.7214 194.211 -63.7207 314.989 GPRESSURE: 4205200 185.981 72.9396 134.669 86.5934 264.757 -66.1223 170.728 -29.5389 287.855 PRESSAVG: 4205200 35.5628 -42.1589 18.6786 -42.1588 -30.4997 8.76934 18.6787 8.76939 -3.75963 GPRESSAVG: 4205200 35.7179 -43.5693 18.2415 -40.2742 -30.6376 6.25418 18.8503 12.27 -3.52238 TIMING: 4205200 CPU: 12176, 0.00285182/step Wall: 12176, 0.00285183/step, 0.62962 hours remaining, 209.843750 MB of memory in use. ENERGY: 4205200 778.2221 2112.9403 1969.3092 102.7516 -206510.7493 18237.2818 0.0000 0.0000 34159.5085 -149150.7359 298.3235 -183310.2443 -149056.7637 299.0023 209.1867 246.1975 557416.8245 0.4345 0.5193 PRESSURE: 4205400 388.717 25.0162 -143.886 25.016 -98.2183 -221.402 -143.887 -221.403 161.491 GPRESSURE: 4205400 389.489 17.8563 -92.2942 -38.9466 -53.1875 -127.55 -178.355 -255.222 207.967 PRESSAVG: 4205400 33.2913 41.274 -40.3219 41.2739 -44.924 -2.06866 -40.3219 -2.0687 3.9972 GPRESSAVG: 4205400 32.2922 43.7536 -39.5066 39.2955 -45.1429 -1.52831 -39.3744 -3.02086 5.26939 TIMING: 4205400 CPU: 12176.6, 0.00286705/step Wall: 12176.6, 0.00286705/step, 0.632821 hours remaining, 209.843750 MB of memory in use. ENERGY: 4205400 760.0060 2112.6722 1989.1535 115.9763 -206454.7150 17991.6790 0.0000 0.0000 34398.4846 -149086.7435 300.4105 -183485.2281 -148985.1533 299.0461 150.6632 181.4229 557419.2392 -2.5452 -2.5271 PRESSURE: 4205600 -384.48 61.6655 80.0582 61.6659 -92.6531 54.5252 80.0583 54.5259 -35.5422 GPRESSURE: 4205600 -342.279 75.9026 117.244 58.902 -88.063 55.523 58.6356 -46.0139 4.24353 PRESSAVG: 4205600 -40.9749 21.8908 -3.76092 21.8908 -33.2886 2.18693 -3.76085 2.187 81.6633 GPRESSAVG: 4205600 -40.2052 20.0595 -3.41946 22.5603 -32.1927 3.19838 -2.47354 0.49889 80.0066 TIMING: 4205600 CPU: 12177.2, 0.00287229/step Wall: 12177.2, 0.00287229/step, 0.633819 hours remaining, 209.843750 MB of memory in use. ENERGY: 4205600 739.0921 2116.1180 1937.2984 113.9424 -205912.6179 17546.8577 0.0000 0.0000 34239.8816 -149219.4277 299.0254 -183459.3093 -149123.1633 299.6751 -170.8916 -142.0328 558881.8156 2.4666 2.5362 PRESSURE: 4205800 -294.97 39.5095 36.9563 39.5093 -29.0128 61.725 36.9556 61.7251 -195.848 GPRESSURE: 4205800 -279.187 95.6491 -85.9988 20.3395 11.6497 34.5598 175.343 -10.6661 -159.127 PRESSAVG: 4205800 -9.36659 -1.54223 2.78633 -1.54216 -15.9237 -30.7106 2.78629 -30.7106 20.9595 GPRESSAVG: 4205800 -9.07546 -1.19964 3.88467 -0.322291 -17.1498 -31.6505 0.0285755 -32.2877 21.5503 TIMING: 4205800 CPU: 12177.7, 0.00286458/step Wall: 12177.7, 0.00286458/step, 0.631958 hours remaining, 209.843750 MB of memory in use. ENERGY: 4205800 788.8625 2107.8393 1957.6894 105.3464 -206028.7780 17700.0562 0.0000 0.0000 34157.1857 -149211.7985 298.3032 -183368.9841 -149120.0906 300.0115 -173.2771 -142.2213 557495.0811 -1.4436 -1.5583 PRESSURE: 4206000 -58.3418 11.9998 -69.118 12.0001 -128.718 -40.2885 -69.1167 -40.288 167.288 GPRESSURE: 4206000 2.08087 37.2887 -15.5148 -79.697 -42.0599 -95.4308 21.834 -55.2835 114.997 PRESSAVG: 4206000 60.3706 -4.51399 -10.0022 -4.51404 -54.3008 10.9903 -10.0021 10.9904 33.2242 GPRESSAVG: 4206000 59.8103 -4.98551 -11.2186 -6.4566 -53.5799 10.5953 -7.95063 13.2901 33.8498 TIMING: 4206000 CPU: 12178.3, 0.00290109/step Wall: 12178.3, 0.00290109/step, 0.639852 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4206000 720.3122 2121.0090 1953.7544 124.1150 -206095.6449 17773.5504 0.0000 0.0000 34169.4912 -149233.4129 298.4107 -183402.9040 -149131.9228 299.2148 -6.5904 25.0059 557798.2936 13.0980 13.3601 PRESSURE: 4206200 266.065 -174.631 1.89574 -174.632 83.4939 107.571 1.89505 107.572 -11.9468 GPRESSURE: 4206200 238.215 -149.489 37.2731 -198.06 152.979 53.0112 -43.4176 116.218 42.6792 PRESSAVG: 4206200 8.39212 -36.9201 12.4318 -36.9201 -52.526 16.2963 12.4318 16.2962 -0.525803 GPRESSAVG: 4206200 9.16726 -34.8193 14.5237 -38.1532 -52.1913 17.0877 11.8846 15.7913 -2.07752 TIMING: 4206200 CPU: 12178.9, 0.00291147/step Wall: 12178.9, 0.00291147/step, 0.641979 hours remaining, 209.843750 MB of memory in use. ENERGY: 4206200 773.9443 2088.5546 1959.9857 106.1894 -206351.9427 17977.0513 0.0000 0.0000 34156.0635 -149290.1539 298.2934 -183446.2174 -149195.8303 298.5514 112.5374 144.6242 556349.2892 -14.8866 -15.0338 PRESSURE: 4206400 62.1041 21.1571 -148.021 21.1564 204.9 68.9074 -148.022 68.9065 -60.4494 GPRESSURE: 4206400 110.634 132.487 -108.084 7.15473 239.83 9.0988 -123.464 43.6564 -52.7126 PRESSAVG: 4206400 29.2171 7.28238 -14.8249 7.28233 10.3994 65.5925 -14.8248 65.5925 -17.138 GPRESSAVG: 4206400 28.8684 7.38859 -17.5332 9.2059 10.2814 65.3666 -14.3785 65.7654 -16.2025 TIMING: 4206400 CPU: 12179.5, 0.00289655/step Wall: 12179.5, 0.00289655/step, 0.638528 hours remaining, 209.843750 MB of memory in use. ENERGY: 4206400 753.9338 2112.7710 1948.5301 104.5088 -206486.6972 17978.0939 0.0000 0.0000 34367.3537 -149221.5060 300.1386 -183588.8597 -149129.7266 299.7856 68.8515 99.2504 557234.8321 7.4928 7.6491 PRESSURE: 4206600 98.5977 -13.9982 -41.7505 -13.9974 -477.125 -3.10416 -41.7509 -3.10392 -297.592 GPRESSURE: 4206600 82.5831 22.3247 21.7898 -19.1645 -409.283 -9.00396 -205.305 -47.3993 -249.825 PRESSAVG: 4206600 38.8182 -9.2142 -44.3092 -9.21425 -5.86456 -23.3357 -44.3094 -23.3357 -18.9221 GPRESSAVG: 4206600 39.3878 -9.92352 -43.8107 -10.4873 -5.44719 -22.1218 -43.8805 -22.987 -20.0224 TIMING: 4206600 CPU: 12180, 0.00286317/step Wall: 12180, 0.00286317/step, 0.63101 hours remaining, 209.843750 MB of memory in use. ENERGY: 4206600 764.8945 2124.5360 1967.0210 113.1206 -205929.6619 17573.0082 0.0000 0.0000 34182.3212 -149204.7604 298.5227 -183387.0815 -149110.8189 299.0273 -225.3730 -192.1749 558989.8808 4.6772 4.6394 PRESSURE: 4206800 155.553 -61.8003 -53.474 -61.8001 206.239 -106.689 -53.4748 -106.69 393.911 GPRESSURE: 4206800 226.895 -153.897 -38.311 -26.0848 259.542 -23.6377 -90.2268 -127.097 367.92 PRESSAVG: 4206800 0.750582 -8.63382 -39.7484 -8.63382 79.3244 8.44432 -39.7483 8.44433 -45.6164 GPRESSAVG: 4206800 1.9206 -7.96942 -37.725 -8.77021 77.9463 9.02231 -41.8942 7.71055 -45.4945 TIMING: 4206800 CPU: 12180.6, 0.00284151/step Wall: 12180.6, 0.00284151/step, 0.62608 hours remaining, 209.843750 MB of memory in use. ENERGY: 4206800 752.0603 2126.2825 1964.3756 115.1389 -206455.4659 18302.2924 0.0000 0.0000 34123.4826 -149071.8336 298.0089 -183195.3162 -148974.1915 299.2616 251.9010 284.7857 557813.2898 11.4862 11.4575 PRESSURE: 4207000 75.6101 52.4926 184.742 52.4921 9.68141 209.042 184.742 209.041 -131.756 GPRESSURE: 4207000 104.906 28.7275 139.101 140.708 63.1271 165.813 101.137 209.856 -108.399 PRESSAVG: 4207000 -35.0535 18.5036 -20.3522 18.5036 -1.57111 -1.66241 -20.3522 -1.6625 0.0816089 GPRESSAVG: 4207000 -35.8145 17.8679 -21.9935 19.0157 -1.12844 -3.3471 -18.3597 -1.59504 0.165867 TIMING: 4207000 CPU: 12181.2, 0.00285065/step Wall: 12181.2, 0.00285065/step, 0.627934 hours remaining, 209.843750 MB of memory in use. ENERGY: 4207000 746.2379 2068.3322 1967.9363 116.4979 -206548.1351 17999.1370 0.0000 0.0000 34254.0855 -149395.9083 299.1494 -183649.9938 -149295.3375 298.8929 -15.4882 19.8781 557496.1693 -12.1810 -12.2590 PRESSURE: 4207200 83.2472 62.7685 64.839 62.7687 7.92454 160.292 64.8388 160.291 -66.2482 GPRESSURE: 4207200 95.5088 70.7957 28.1227 36.9582 98.3876 213.221 40.4852 92.1305 -78.8551 PRESSAVG: 4207200 5.75052 36.5856 3.49496 36.5857 1.68164 43.0261 3.49506 43.026 40.0726 GPRESSAVG: 4207200 5.36231 35.3221 0.0837925 38.0931 1.50322 44.4095 4.25992 43.1647 40.5279 TIMING: 4207200 CPU: 12181.8, 0.00287426/step Wall: 12181.8, 0.00287426/step, 0.632976 hours remaining, 209.843750 MB of memory in use. ENERGY: 4207200 777.0107 2084.7858 1983.3998 112.0161 -206305.9459 17928.3209 0.0000 0.0000 34122.3003 -149298.1124 297.9985 -183420.4126 -149206.1446 298.8335 8.3079 38.3471 556872.0615 15.8349 15.7978 PRESSURE: 4207400 -67.8085 -14.665 121.053 -14.6644 175.488 91.023 121.054 91.0216 62.7125 GPRESSURE: 4207400 -44.7121 63.4078 132.966 -43.9654 262.464 148.597 147.561 39.1635 40.458 PRESSAVG: 4207400 -12.3154 17.8513 -7.4684 17.8513 -31.6342 26.2865 -7.46839 26.2865 47.208 GPRESSAVG: 4207400 -11.7883 18.2118 -3.52208 17.9881 -32.2616 26.2491 -10.8723 27.1926 47.1145 TIMING: 4207400 CPU: 12182.3, 0.0028491/step Wall: 12182.3, 0.00284909/step, 0.627276 hours remaining, 209.843750 MB of memory in use. ENERGY: 4207400 727.1025 2112.0634 1972.8744 103.2171 -206506.5857 18119.7356 0.0000 0.0000 34336.3497 -149135.2431 299.8679 -183471.5928 -149032.1051 298.7602 56.7974 86.0700 557742.3221 1.0861 1.0215 PRESSURE: 4207600 -87.671 14.5705 -16.1537 14.57 128.597 106.299 -16.1526 106.298 -143.048 GPRESSURE: 4207600 -72.6074 -29.5733 23.9284 36.0053 200.869 67.6744 100.41 32.1149 -133.337 PRESSAVG: 4207600 -22.9537 -24.7125 37.6983 -24.7125 4.2288 -24.7321 37.6982 -24.7321 18.0257 GPRESSAVG: 4207600 -22.8417 -24.4166 36.9955 -24.9261 4.47886 -27.9266 38.9792 -23.7777 17.8077 TIMING: 4207600 CPU: 12182.9, 0.00284847/step Wall: 12182.9, 0.00284847/step, 0.62698 hours remaining, 209.843750 MB of memory in use. ENERGY: 4207600 671.1508 2195.5028 1971.2513 120.1725 -205975.8008 17655.8054 0.0000 0.0000 34236.9525 -149124.9656 298.9998 -183361.9181 -149024.5560 300.1204 -34.0408 -1.6918 558988.0600 -0.2331 -0.1851 PRESSURE: 4207800 -162.345 90.8135 48.3236 90.8132 118.965 -195.035 48.3247 -195.036 -121.623 GPRESSURE: 4207800 -129.73 165.834 19.9804 3.27764 167.078 -117.199 78.2621 -167.724 -89.7095 PRESSAVG: 4207800 -51.7219 -18.9224 54.5305 -18.9224 58.018 10.6555 54.5305 10.6554 -52.3104 GPRESSAVG: 4207800 -52.1891 -19.1034 52.0103 -18.7354 58.134 14.822 55.9915 8.71664 -52.6934 TIMING: 4207800 CPU: 12183.5, 0.00287585/step Wall: 12183.5, 0.00287585/step, 0.632847 hours remaining, 209.843750 MB of memory in use. ENERGY: 4207800 763.7036 2061.9515 1957.4889 114.3424 -206296.7612 17924.1829 0.0000 0.0000 34256.1818 -149218.9101 299.1678 -183475.0919 -149115.5161 298.9724 -55.0010 -17.4539 557385.4429 -15.3381 -15.5828 PRESSURE: 4208000 31.8561 -24.118 130.47 -24.1172 33.1254 161.284 130.47 161.286 265.225 GPRESSURE: 4208000 88.1758 -43.9529 119.759 -7.8093 56.9958 165.779 102.868 185.219 294.867 PRESSAVG: 4208000 -3.22624 -16.3476 8.62099 -16.3476 38.3184 58.319 8.62104 58.3189 -39.5845 GPRESSAVG: 4208000 -2.60519 -17.9101 10.8234 -16.8893 38.5585 57.7542 7.02353 59.8133 -40.5412 TIMING: 4208000 CPU: 12184, 0.00285257/step Wall: 12184, 0.00285257/step, 0.627566 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4208000 711.8369 2087.5878 1943.4982 117.3523 -206453.5103 17952.3261 0.0000 0.0000 34435.1903 -149205.7187 300.7311 -183640.9089 -149107.2516 299.3953 110.0689 146.6796 557316.3496 -1.4975 -1.5293 PRESSURE: 4208200 -72.469 48.7527 189.858 48.7536 -136.67 64.7316 189.858 64.7314 2.39282 GPRESSURE: 4208200 -68.5425 47.9634 309.073 118.75 -80.2895 86.5894 152.748 115.765 33.1517 PRESSAVG: 4208200 33.3267 -7.62233 56.6038 -7.62229 -31.0315 28.7219 56.6038 28.7219 21.433 GPRESSAVG: 4208200 33.2235 -5.55213 57.9966 -8.28729 -29.1559 25.9166 54.9723 29.9979 20.4067 TIMING: 4208200 CPU: 12184.6, 0.0028661/step Wall: 12184.6, 0.0028661/step, 0.630383 hours remaining, 209.843750 MB of memory in use. ENERGY: 4208200 728.3849 2139.3838 1956.6764 115.3886 -206314.3705 17791.2804 0.0000 0.0000 34321.8930 -149261.3634 299.7416 -183583.2564 -149169.3883 300.3670 -68.9155 -38.5601 556808.9005 7.9094 8.1581 LDB: ============= START OF LOAD BALANCING ============== 12188 LDB: ============== END OF LOAD BALANCING =============== 12188 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12188 LDB: ============= START OF LOAD BALANCING ============== 12188.3 LDB: Largest compute 4773 load 0.024665 is 20.9% of average load 0.118137 LDB: Average compute 0.001731 is 1.5% of average load 0.118137 LDB: TIME 12188.3 LOAD: AVG 0.118137 MAX 0.179446 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.41 MB LDB: TIME 12188.3 LOAD: AVG 0.118137 MAX 0.179446 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.48 MB LDB: TIME 12188.3 LOAD: AVG 0.118137 MAX 0.179446 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12188.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12188.3 PRESSURE: 4208400 -159.143 10.8952 27.492 10.896 -72.7162 61.4287 27.4912 61.4291 -289.344 GPRESSURE: 4208400 -131.543 -15.6581 68.4384 -21.0358 -87.014 84.5389 -29.8928 52.9387 -205.216 PRESSAVG: 4208400 -34.8927 77.4302 7.06062 77.4302 56.989 50.3232 7.06078 50.3231 15.15 GPRESSAVG: 4208400 -34.8663 76.6917 4.48978 76.9967 56.3192 51.2499 9.3768 48.1721 15.1101 TIMING: 4208400 CPU: 12185.2, 0.0029338/step Wall: 12185.2, 0.0029338/step, 0.645111 hours remaining, 211.691406 MB of memory in use. ENERGY: 4208400 742.9639 2154.8410 1937.6038 103.7378 -205956.2180 17573.9591 0.0000 0.0000 34195.5479 -149247.5645 298.6382 -183443.1124 -149154.1401 299.7535 -173.7344 -141.2580 557662.8497 12.4154 12.1877 PRESSURE: 4208600 -140.575 190.996 148.082 190.995 -236.713 -7.59975 148.082 -7.59891 -226.333 GPRESSURE: 4208600 -87.1364 114.56 236.046 185.783 -153.855 78.9668 138.031 -71.8513 -244.194 PRESSAVG: 4208600 -51.0674 -11.2396 10.9056 -11.2397 29.6194 30.4098 10.9057 30.4099 15.2638 GPRESSAVG: 4208600 -50.795 -14.0761 13.5834 -9.14116 28.2705 30.016 9.54268 31.258 16.3227 TIMING: 4208600 CPU: 12185.8, 0.00286641/step Wall: 12185.8, 0.00286641/step, 0.630133 hours remaining, 211.894531 MB of memory in use. ENERGY: 4208600 725.0878 2117.5727 1974.9557 121.6637 -205958.1511 17545.0245 0.0000 0.0000 34165.3737 -149308.4731 298.3747 -183473.8468 -149211.6146 299.4219 -201.2069 -161.7285 558136.3810 -2.0614 -2.0673 PRESSURE: 4208800 143.928 -59.0559 -23.2252 -59.0559 9.83941 -50.2518 -23.2257 -50.251 -206.695 GPRESSURE: 4208800 174.213 -73.8378 90.9668 -130.549 21.3895 -75.5442 -82.779 -0.258958 -142.563 PRESSAVG: 4208800 7.81923 27.5973 21.934 27.5973 30.7371 3.63748 21.9339 3.6375 -37.3976 GPRESSAVG: 4208800 7.84567 30.489 21.0661 27.0647 30.7481 3.25933 22.8835 4.5088 -36.9307 TIMING: 4208800 CPU: 12186.3, 0.00287936/step Wall: 12186.3, 0.00287936/step, 0.632818 hours remaining, 211.894531 MB of memory in use. ENERGY: 4208800 769.0677 2083.7466 1958.8411 107.0811 -206624.2405 17986.6291 0.0000 0.0000 34340.5753 -149378.2995 299.9048 -183718.8749 -149286.6400 298.8024 -17.6426 17.6796 557214.0678 0.3862 0.5543 PRESSURE: 4209000 15.3752 129.519 -23.9692 129.519 93.4984 -48.637 -23.9689 -48.6353 -25.5478 GPRESSURE: 4209000 71.9087 157.832 -31.6519 91.6026 136.396 -35.0994 -75.2909 -87.6864 -17.8659 PRESSAVG: 4209000 72.2687 14.5371 1.20638 14.5371 -71.4688 7.20582 1.20641 7.2057 -31.1311 GPRESSAVG: 4209000 71.4993 14.508 -0.478933 12.4386 -70.6258 6.98511 0.245133 7.27874 -31.5353 TIMING: 4209000 CPU: 12186.9, 0.00291035/step Wall: 12186.9, 0.00291035/step, 0.639469 hours remaining, 211.894531 MB of memory in use. ENERGY: 4209000 719.0913 2094.6209 1951.6660 107.3961 -206079.4814 17639.9156 0.0000 0.0000 34207.7919 -149358.9997 298.7452 -183566.7916 -149264.6925 298.6953 27.7753 63.4797 556838.5402 -10.1104 -10.2206 PRESSURE: 4209200 -31.7808 10.1434 44.9544 10.1433 -82.3642 -178.8 44.9543 -178.799 14.0725 GPRESSURE: 4209200 -26.9475 -13.8882 35.572 -9.81966 -73.5531 -185.21 59.475 -145.708 99.5929 PRESSAVG: 4209200 5.4988 37.1067 4.06547 37.1068 5.29194 12.7138 4.06547 12.7138 -16.7593 GPRESSAVG: 4209200 5.34499 36.5168 4.89506 38.076 5.65332 14.9631 3.99293 10.251 -16.855 TIMING: 4209200 CPU: 12187.5, 0.00286865/step Wall: 12187.5, 0.00286865/step, 0.630146 hours remaining, 211.894531 MB of memory in use. ENERGY: 4209200 749.8852 2087.7740 1942.8728 113.2323 -206205.6587 17767.1750 0.0000 0.0000 34156.4113 -149388.3080 298.2964 -183544.7193 -149286.1183 298.5752 -33.3575 -0.3026 555054.0980 -1.9895 -1.9522 PRESSURE: 4209400 -46.3296 -60.1269 104.782 -60.1266 180.959 21.6817 104.782 21.6822 248.261 GPRESSURE: 4209400 73.6066 3.39174 47.0162 -129.088 161.553 -39.0508 114.455 77.7552 250.843 PRESSAVG: 4209400 38.6771 8.78841 25.5932 8.78837 -6.28934 56.1109 25.5932 56.111 -10.346 GPRESSAVG: 4209400 39.3371 8.77649 24.9185 9.86424 -6.77582 54.7529 26.2961 59.1012 -10.115 TIMING: 4209400 CPU: 12188.1, 0.00287528/step Wall: 12188.1, 0.00287528/step, 0.631443 hours remaining, 211.894531 MB of memory in use. ENERGY: 4209400 697.3022 2099.9203 1945.4577 116.1279 -206387.5931 17967.9004 0.0000 0.0000 34287.8979 -149272.9869 299.4447 -183560.8848 -149172.8076 298.7545 127.6301 162.0010 555981.7013 7.3472 7.4821 PRESSURE: 4209600 112.902 16.4293 -126.56 16.4305 81.1066 8.34288 -126.559 8.34379 17.8551 GPRESSURE: 4209600 168.817 -26.8342 -168.67 64.1497 132.75 -57.9041 -131.327 11.2202 13.911 PRESSAVG: 4209600 12.079 13.169 -12.589 13.169 -2.5271 58.151 -12.5889 58.1509 -29.4563 GPRESSAVG: 4209600 12.8482 14.5603 -10.3171 10.4289 -2.86449 58.7679 -14.0052 54.3538 -29.9637 TIMING: 4209600 CPU: 12188.7, 0.00287312/step Wall: 12188.7, 0.00287312/step, 0.630809 hours remaining, 211.894531 MB of memory in use. ENERGY: 4209600 768.9253 2057.3314 1968.0129 119.0602 -206701.7168 18069.7146 0.0000 0.0000 34459.9582 -149258.7142 300.9474 -183718.6724 -149158.5535 299.7964 70.6213 105.1594 557497.9209 -6.6348 -6.6600 PRESSURE: 4209800 -94.2966 183.696 32.6818 183.697 -39.2571 60.0551 32.6829 60.0567 -255.494 GPRESSURE: 4209800 -93.3348 222.985 113.849 146.336 -52.3503 33.5071 30.2329 114.498 -143.459 PRESSAVG: 4209800 14.7699 9.25884 -29.6527 9.25886 -55.8454 26.9169 -29.6526 26.9168 -18.131 GPRESSAVG: 4209800 12.9067 7.05284 -32.1627 11.1081 -55.0767 27.4567 -29.0641 28.1318 -17.2044 TIMING: 4209800 CPU: 12189.2, 0.00287285/step Wall: 12189.2, 0.00287285/step, 0.630591 hours remaining, 211.894531 MB of memory in use. ENERGY: 4209800 770.4992 2066.2949 1952.7367 99.6279 -206289.1062 17820.2567 0.0000 0.0000 34130.7071 -149448.9837 298.0720 -183579.6908 -149350.1767 298.8444 -129.6825 -96.3813 558683.7402 -19.7355 -19.7914 PRESSURE: 4210000 31.6149 -57.7071 -114.287 -57.7068 90.9255 -96.6269 -114.288 -96.6265 -95.1913 GPRESSURE: 4210000 86.4699 -83.7428 -63.963 -29.4496 126.745 -56.1237 -174.473 -82.0197 -95.505 PRESSAVG: 4210000 98.0852 18.1255 -18.3158 18.1255 1.30128 -12.0989 -18.3159 -12.0988 -90.2987 GPRESSAVG: 4210000 99.4143 18.7239 -16.4614 18.5193 0.50572 -10.8819 -17.4916 -12.4471 -91.2388 TIMING: 4210000 CPU: 12189.8, 0.00287878/step Wall: 12189.8, 0.00287878/step, 0.631733 hours remaining, 211.894531 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: 4210000 739.2072 2088.9306 1948.6962 122.4875 -206599.9603 18097.9833 0.0000 0.0000 34154.9923 -149447.6632 298.2840 -183602.6555 -149355.8469 298.5937 9.1163 39.2365 558684.6306 3.0293 2.8938 PRESSURE: 4210200 -312.785 84.2054 -122.823 84.205 -414.877 186.812 -122.823 186.811 -358.695 GPRESSURE: 4210200 -312.002 107.521 -133.371 48.9205 -367.551 287.947 -74.3278 18.2555 -313.226 PRESSAVG: 4210200 0.296901 7.45713 32.3337 7.45708 7.65721 -29.7619 32.3337 -29.7619 30.1683 GPRESSAVG: 4210200 -0.144779 9.74628 31.0372 5.22597 6.72518 -30.1786 33.5654 -28.0866 31.2816 TIMING: 4210200 CPU: 12190.4, 0.00289267/step Wall: 12190.4, 0.00289267/step, 0.63462 hours remaining, 211.894531 MB of memory in use. ENERGY: 4210200 741.3859 2108.4721 1961.6908 114.2543 -205769.2111 17424.4181 0.0000 0.0000 34123.4461 -149295.5439 298.0085 -183418.9900 -149193.2787 298.8755 -362.1189 -330.9265 559897.0628 12.7075 12.6207 PRESSURE: 4210400 275.758 -38.2999 19.5619 -38.2993 205.619 63.5871 19.5614 63.5855 145.433 GPRESSURE: 4210400 275.279 -44.7389 -63.8606 -42.9402 270.517 58.2227 89.5109 45.7109 191.955 PRESSAVG: 4210400 -12.1825 3.26384 0.581778 3.26387 -55.2334 -10.1771 0.581796 -10.1771 18.3853 GPRESSAVG: 4210400 -12.3145 0.402272 1.54812 4.08243 -54.5398 -12.3296 -0.857589 -11.1216 17.935 TIMING: 4210400 CPU: 12191, 0.00286527/step Wall: 12191, 0.00286527/step, 0.628449 hours remaining, 211.894531 MB of memory in use. ENERGY: 4210400 719.5367 2077.1507 1954.9851 97.2240 -206308.9723 18070.4281 0.0000 0.0000 34259.0815 -149130.5662 299.1931 -183389.6477 -149027.0872 299.4542 208.9366 245.9170 557480.3722 -16.3435 -16.3064 PRESSURE: 4210600 -291.718 -29.2575 63.9011 -29.2581 75.4035 -53.696 63.9016 -53.6958 -181.378 GPRESSURE: 4210600 -302.936 24.2645 39.546 3.03122 157.054 -128.196 72.9152 -3.7038 -135.806 PRESSAVG: 4210600 -4.22849 -52.9316 23.0818 -52.9316 65.1116 -9.43274 23.0819 -9.43264 -67.4492 GPRESSAVG: 4210600 -4.72903 -50.9964 22.7299 -54.513 65.013 -10.6259 23.332 -8.60073 -66.9391 TIMING: 4210600 CPU: 12191.5, 0.00288936/step Wall: 12191.5, 0.00288936/step, 0.633573 hours remaining, 211.894531 MB of memory in use. ENERGY: 4210600 736.5950 2030.3181 1972.0323 126.4379 -205856.1371 17563.2605 0.0000 0.0000 34378.6302 -149048.8631 300.2371 -183427.4933 -148953.1667 299.3996 -132.5643 -93.8963 557400.8269 -2.1887 -2.2184 PRESSURE: 4210800 189.635 80.0527 -48.1062 80.0525 144.153 42.8505 -48.1057 42.8507 -43.408 GPRESSURE: 4210800 252.014 127.042 -21.3676 -10.4013 170.447 46.9447 -101.177 -49.8039 -40.5153 PRESSAVG: 4210800 -16.9125 -42.9449 -4.63165 -42.945 27.019 54.963 -4.63168 54.9631 7.39016 GPRESSAVG: 4210800 -15.4138 -45.7116 -5.97222 -39.5708 26.174 55.416 -4.18672 52.9976 6.77195 TIMING: 4210800 CPU: 12192.1, 0.00287332/step Wall: 12192.1, 0.00287332/step, 0.629896 hours remaining, 211.894531 MB of memory in use. ENERGY: 4210800 750.6825 2039.9837 1969.7529 110.1587 -205926.7798 17740.2087 0.0000 0.0000 34340.7352 -148975.2581 299.9062 -183315.9933 -148886.3771 300.0723 96.7931 127.3154 557497.8013 5.8322 5.8440 PRESSURE: 4211000 213.879 17.7928 -7.92012 17.7938 -56.5866 -63.115 -7.92009 -63.1147 -90.1001 GPRESSURE: 4211000 235.355 7.89251 -10.3156 -70.9398 -23.0075 -51.1812 93.3439 8.27213 -57.3877 PRESSAVG: 4211000 21.9148 -49.6906 5.64823 -49.6906 13.0418 16.6928 5.6482 16.6928 -22.1382 GPRESSAVG: 4211000 21.6534 -47.665 5.98992 -52.0869 13.4692 18.6105 6.05793 16.9546 -22.339 TIMING: 4211000 CPU: 12192.7, 0.00288346/step Wall: 12192.7, 0.00288346/step, 0.631958 hours remaining, 211.894531 MB of memory in use. ENERGY: 4211000 729.8533 2060.4003 1975.3375 105.0551 -205908.8495 17754.1733 0.0000 0.0000 34433.1056 -148850.9245 300.7129 -183284.0301 -148747.0168 300.1096 22.3976 51.6534 556884.2523 4.2728 4.2612 PRESSURE: 4211200 106.087 -52.3254 -8.15577 -52.3247 121.907 -17.3215 -8.15562 -17.3217 88.7551 GPRESSURE: 4211200 117.781 -36.5613 54.379 -10.7309 220.355 28.4164 30.752 42.0503 89.1289 PRESSAVG: 4211200 -64.3567 16.6084 -5.35275 16.6084 -0.686255 4.84963 -5.35269 4.84965 58.4246 GPRESSAVG: 4211200 -65.2792 18.7907 -5.01284 16.8892 -0.336296 4.12938 -6.95024 4.44178 59.4977 TIMING: 4211200 CPU: 12193.3, 0.00287274/step Wall: 12193.3, 0.00287274/step, 0.629448 hours remaining, 211.894531 MB of memory in use. ENERGY: 4211200 741.4926 2109.0760 1954.6584 106.0717 -206381.3648 18000.5226 0.0000 0.0000 34465.9312 -149003.6123 300.9995 -183469.5435 -148910.2888 300.0576 105.5829 142.4217 556209.1194 -2.2061 -2.0393 PRESSURE: 4211400 -109.937 -62.4564 3.56047 -62.4574 -13.3913 -42.3893 3.56074 -42.3897 -306.868 GPRESSURE: 4211400 -10.5355 -75.6822 88.1455 -82.3576 -29.9306 -8.30726 -26.644 6.69966 -301.016 PRESSAVG: 4211400 -0.602862 -8.12701 -7.23748 -8.127 18.948 77.1513 -7.23753 77.1513 -14.0008 GPRESSAVG: 4211400 -0.418745 -12.6345 -9.8122 -6.28142 19.5409 75.411 -5.23033 79.6097 -15.0623 TIMING: 4211400 CPU: 12193.8, 0.0028833/step Wall: 12193.8, 0.0028833/step, 0.631603 hours remaining, 211.894531 MB of memory in use. ENERGY: 4211400 744.8425 2117.8769 1930.4663 98.9393 -205516.6377 17426.7689 0.0000 0.0000 34391.9294 -148805.8144 300.3533 -183197.7438 -148713.5894 300.6430 -143.3987 -113.8274 557308.0056 1.4481 1.3533 PRESSURE: 4211600 249.847 -22.1647 -254.12 -22.1638 -52.5158 -178.223 -254.119 -178.224 244.934 GPRESSURE: 4211600 264.284 -18.7065 -280.724 40.9983 -33.6181 -224.942 -325.735 -11.0018 299.522 PRESSAVG: 4211600 19.8953 -19.4791 13.8283 -19.4792 -25.5838 -72.2655 13.8282 -72.2655 29.5481 GPRESSAVG: 4211600 20.3859 -17.8096 17.4483 -20.3982 -26.7879 -73.6145 12.283 -73.1097 30.2153 TIMING: 4211600 CPU: 12194.4, 0.00288018/step Wall: 12194.4, 0.00288018/step, 0.630759 hours remaining, 211.894531 MB of memory in use. ENERGY: 4211600 761.9870 2086.2698 1936.0964 124.0393 -205913.2058 17907.9318 0.0000 0.0000 34177.9050 -148918.9764 298.4841 -183096.8814 -148816.4643 300.0733 147.4216 176.7294 556927.0050 7.9532 7.9378 PRESSURE: 4211800 -244.406 -95.2036 -83.6208 -95.2059 -166.278 -121.467 -83.6198 -121.468 -179.446 GPRESSURE: 4211800 -161.924 -84.1035 -79.3485 -23.3093 -151.71 -105.184 -48.3186 -153.479 -170.102 PRESSAVG: 4211800 81.9364 -19.585 1.67675 -19.585 -22.3965 -19.7903 1.67671 -19.7902 -66.0599 GPRESSAVG: 4211800 81.6234 -17.3947 -0.344991 -19.1099 -20.8767 -18.5457 0.767005 -21.1504 -67.1081 TIMING: 4211800 CPU: 12195, 0.00290185/step Wall: 12195, 0.00290185/step, 0.635344 hours remaining, 211.894531 MB of memory in use. ENERGY: 4211800 768.9425 2057.0957 1948.1566 116.7205 -205879.0833 17433.7327 0.0000 0.0000 34407.6685 -149146.7669 300.4907 -183554.4353 -149056.4680 299.5011 -196.7102 -161.2450 556666.2458 -2.1733 -2.1205 PRESSURE: 4212000 54.4656 25.4539 7.31724 25.4539 -232.818 204.301 7.31849 204.3 -243.71 GPRESSURE: 4212000 69.886 29.103 -10.8528 9.41801 -183.587 188.254 47.1738 175.235 -212.804 PRESSAVG: 4212000 57.836 6.87808 -27.7405 6.8781 -7.92485 10.5122 -27.7405 10.512 -60.1368 GPRESSAVG: 4212000 58.2278 6.06786 -25.2553 5.93915 -9.26868 10.7299 -26.6232 11.2158 -59.2075 TIMING: 4212000 CPU: 12195.6, 0.00288274/step Wall: 12195.6, 0.00288274/step, 0.630999 hours remaining, 211.894531 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: 4212000 718.6155 2091.5398 1947.9788 110.3410 -205949.9744 17632.3414 0.0000 0.0000 34356.6456 -149092.5123 300.0451 -183449.1579 -148993.2503 299.8325 -140.6874 -108.8351 557631.5441 -3.4085 -3.4161 PRESSURE: 4212200 229.332 -152.503 -97.1696 -152.504 -9.04157 -21.1826 -97.1704 -21.1814 -114.542 GPRESSURE: 4212200 247.743 -166.696 14.6822 -140.531 10.1234 50.5804 -117.086 -65.1147 -56.704 PRESSAVG: 4212200 30.466 1.77745 -37.7231 1.77738 60.5465 -12.7989 -37.7231 -12.7988 -35.0087 GPRESSAVG: 4212200 31.2979 0.854886 -38.6084 1.75628 61.2458 -11.4864 -38.342 -14.9321 -36.6948 TIMING: 4212200 CPU: 12196.1, 0.00289471/step Wall: 12196.1, 0.00289471/step, 0.633459 hours remaining, 211.894531 MB of memory in use. ENERGY: 4212200 746.4457 2129.7628 1956.7272 126.8988 -206277.6174 17867.3508 0.0000 0.0000 34332.4771 -149117.9549 299.8341 -183450.4320 -149017.2542 299.4836 35.2493 67.0542 556257.6035 18.6680 18.6163 LDB: ============= START OF LOAD BALANCING ============== 12199.5 LDB: ============== END OF LOAD BALANCING =============== 12199.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12199.5 LDB: ============= START OF LOAD BALANCING ============== 12199.8 LDB: Largest compute 4773 load 0.023833 is 20.2% of average load 0.118057 LDB: Average compute 0.001731 is 1.5% of average load 0.118057 LDB: TIME 12199.8 LOAD: AVG 0.118057 MAX 0.179338 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.695 MB LDB: TIME 12199.8 LOAD: AVG 0.118057 MAX 0.179338 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.898 MB LDB: TIME 12199.8 LOAD: AVG 0.118057 MAX 0.179338 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.898 MB LDB: ============== END OF LOAD BALANCING =============== 12199.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12199.8 PRESSURE: 4212400 19.8344 -30.4641 -183.81 -30.4632 -209.153 16.8267 -183.811 16.8267 107.092 GPRESSURE: 4212400 29.6083 37.931 -227.144 45.6336 -153.147 -33.2545 -27.1063 33.6775 149.5 PRESSAVG: 4212400 7.83688 -5.05444 5.68995 -5.05449 -25.7676 -37.2859 5.68998 -37.2859 -15.282 GPRESSAVG: 4212400 6.50094 -4.09655 4.15244 -5.29236 -25.6526 -36.9489 7.78015 -36.397 -13.7191 TIMING: 4212400 CPU: 12196.7, 0.00294121/step Wall: 12196.7, 0.00294121/step, 0.643471 hours remaining, 209.843750 MB of memory in use. ENERGY: 4212400 738.3984 2095.3391 1979.3728 105.8046 -206270.8240 17888.7052 0.0000 0.0000 34291.5139 -149171.6900 299.4763 -183463.2039 -149078.2949 299.5107 -27.4089 8.6536 556381.8238 -11.0709 -10.9569 PRESSURE: 4212600 -11.535 21.2279 -47.9236 21.2282 -78.3438 -9.8656 -47.9235 -9.8649 27.3731 GPRESSURE: 4212600 15.7315 12.3281 -77.947 28.3213 -45.5585 61.9756 -56.8419 -13.1937 60.9099 PRESSAVG: 4212600 -55.2712 11.8255 -31.813 11.8256 49.649 -38.1595 -31.8131 -38.1594 30.0474 GPRESSAVG: 4212600 -54.6794 11.2356 -30.6675 13.0174 49.8948 -38.7748 -33.8224 -38.5294 29.2947 TIMING: 4212600 CPU: 12197.3, 0.00286611/step Wall: 12197.3, 0.00286611/step, 0.626882 hours remaining, 209.843750 MB of memory in use. ENERGY: 4212600 776.4975 2055.7255 1962.7765 110.7083 -206348.7232 17948.2588 0.0000 0.0000 34219.1130 -149275.6436 298.8440 -183494.7565 -149173.1972 299.5881 -20.8352 10.3610 556877.1848 8.1417 8.1700 PRESSURE: 4212800 -181.985 -145.622 -9.35023 -145.621 115.431 149.808 -9.35005 149.809 -29.5138 GPRESSURE: 4212800 -143.186 -133.759 60.5492 -122.376 146.936 141.757 7.36076 172.141 -5.95207 PRESSAVG: 4212800 35.9253 -56.8717 13.6968 -56.8717 -25.2845 1.60023 13.6969 1.60024 -4.27589 GPRESSAVG: 4212800 35.2387 -55.8755 13.571 -58.1912 -25.1709 2.67943 14.8778 2.18174 -3.62925 TIMING: 4212800 CPU: 12197.9, 0.00285518/step Wall: 12197.9, 0.00285518/step, 0.624333 hours remaining, 209.843750 MB of memory in use. ENERGY: 4212800 731.4711 2083.3225 1958.5454 111.3760 -206098.1353 17710.6440 0.0000 0.0000 34377.3468 -149125.4295 300.2259 -183502.7763 -149033.6774 300.2700 -32.0227 -0.7341 555367.3272 2.1216 2.1462 PRESSURE: 4213000 -55.381 -37.7068 -16.6106 -37.7058 -166.012 139.389 -16.6098 139.39 -190.225 GPRESSURE: 4213000 -37.6242 68.0961 -51.4174 -39.7109 -169.97 169.31 -14.7903 148.585 -93.5443 PRESSAVG: 4213000 -9.28445 -20.6085 31.9256 -20.6086 7.57397 37.0898 31.9256 37.0898 -21.1205 GPRESSAVG: 4213000 -7.29941 -21.1104 32.078 -19.9996 5.68184 35.6886 31.529 37.9916 -20.7621 TIMING: 4213000 CPU: 12198.5, 0.0028737/step Wall: 12198.5, 0.0028737/step, 0.628223 hours remaining, 209.964844 MB of memory in use. ENERGY: 4213000 741.5917 2081.3521 1970.0119 121.5174 -205693.1869 17443.7391 0.0000 0.0000 34237.1323 -149097.8423 299.0014 -183334.9747 -148998.9269 300.2097 -137.2059 -100.3797 557172.5158 -7.6103 -7.4599 PRESSURE: 4213200 -84.7743 57.5342 140.965 57.5358 128.363 103.844 140.965 103.845 108.708 GPRESSURE: 4213200 16.1817 -42.2843 65.722 122.032 101.098 57.3337 150.158 73.2927 131.858 PRESSAVG: 4213200 -13.9104 -20.5199 19.221 -20.5198 38.6907 69.2128 19.221 69.2127 1.6483 GPRESSAVG: 4213200 -14.1843 -21.77 18.749 -20.9091 38.9019 69.7656 17.9728 67.152 2.24106 TIMING: 4213200 CPU: 12199, 0.00286785/step Wall: 12199, 0.00286785/step, 0.626786 hours remaining, 209.964844 MB of memory in use. ENERGY: 4213200 712.0809 2077.6216 1942.2293 102.0321 -206181.7257 17857.2527 0.0000 0.0000 34433.8756 -149056.6336 300.7196 -183490.5092 -148958.8258 300.1344 50.7657 83.0457 557241.0036 8.8095 8.9862 PRESSURE: 4213400 -172.926 -3.33849 83.0008 -3.33865 -25.2464 -1.3732 83.0015 -1.37376 9.60309 GPRESSURE: 4213400 -137.995 -14.9271 86.1527 -57.5451 -12.4523 -35.2804 67.9375 59.4734 59.2754 PRESSAVG: 4213400 20.6335 16.2078 -13.8111 16.2078 15.1055 15.6715 -13.8113 15.6715 19.9318 GPRESSAVG: 4213400 20.1187 16.5559 -14.8222 16.4463 16.1503 14.2997 -13.848 18.1427 19.1285 TIMING: 4213400 CPU: 12199.6, 0.00287115/step Wall: 12199.6, 0.00287115/step, 0.627346 hours remaining, 209.964844 MB of memory in use. ENERGY: 4213400 746.8888 2026.7022 1965.3554 103.1090 -206211.0064 17922.7560 0.0000 0.0000 34244.7454 -149201.4496 299.0679 -183446.1950 -149105.8129 300.0304 -62.8565 -30.3906 556880.0884 18.5569 18.4658 PRESSURE: 4213600 -192.815 -162.946 39.6249 -162.946 -119.63 -37.163 39.6252 -37.1639 -90.5305 GPRESSURE: 4213600 -169.835 -131.512 64.5081 -185.013 -79.9114 -49.155 73.5182 23.8043 -70.3155 PRESSAVG: 4213600 67.9251 -15.6254 -15.466 -15.6254 -61.2919 27.6842 -15.4661 27.6843 4.70412 GPRESSAVG: 4213600 68.604 -16.1068 -17.5068 -15.738 -61.5517 29.341 -13.2712 26.3618 4.09495 TIMING: 4213600 CPU: 12200.2, 0.00286495/step Wall: 12200.2, 0.00286495/step, 0.625832 hours remaining, 209.964844 MB of memory in use. ENERGY: 4213600 712.2660 2008.6121 1961.6082 106.0597 -205892.1964 17523.8869 0.0000 0.0000 34256.8128 -149322.9506 299.1733 -183579.7635 -149219.6018 298.9901 -134.3254 -106.6873 558625.6866 3.7791 3.7158 PRESSURE: 4213800 315.093 10.0847 -19.0345 10.0855 107.044 18.8181 -19.0339 18.8173 340.802 GPRESSURE: 4213800 337.849 -30.4011 -89.817 16.7619 138.701 96.6495 -40.5929 -27.264 395.645 PRESSAVG: 4213800 53.6474 -57.7771 19.3059 -57.7772 11.7827 13.4314 19.3058 13.4314 -64.0252 GPRESSAVG: 4213800 53.7436 -58.7426 21.6746 -56.2444 11.4843 11.2829 17.9526 13.6614 -63.1906 TIMING: 4213800 CPU: 12200.7, 0.00286562/step Wall: 12200.7, 0.00286561/step, 0.625818 hours remaining, 209.964844 MB of memory in use. ENERGY: 4213800 727.4095 2015.0172 1943.6195 116.3543 -205999.8750 18025.0229 0.0000 0.0000 33918.7364 -149253.7151 296.2208 -183172.4515 -149162.8002 298.5832 254.3131 290.7317 556943.1724 0.4683 0.6791 PRESSURE: 4214000 161.54 16.532 -161.172 16.5304 252.946 -166.063 -161.172 -166.064 48.7831 GPRESSURE: 4214000 150.303 44.2824 -150.778 13.1664 256.801 -136.525 -183.413 -216.813 150.592 PRESSAVG: 4214000 9.67018 19.3527 -45.6298 19.3528 63.6825 -13.4951 -45.6298 -13.4953 -29.4973 GPRESSAVG: 4214000 9.15722 19.4079 -43.1866 19.9288 64.4053 -10.3949 -47.3376 -13.7092 -30.2882 TIMING: 4214000 CPU: 12201.3, 0.0028892/step Wall: 12201.3, 0.0028892/step, 0.630808 hours remaining, 209.964844 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: 4214000 765.7823 2047.6975 1955.3039 107.7031 -206622.7527 18149.9902 0.0000 0.0000 34299.5878 -149296.6880 299.5468 -183596.2758 -149202.4682 299.0316 154.4228 185.8989 556018.5736 14.6184 14.4248 PRESSURE: 4214200 -244.629 111.231 179.572 111.231 -69.4414 70.5394 179.572 70.5409 150.239 GPRESSURE: 4214200 -190.378 78.8286 67.2533 110.427 -58.1785 52.3615 232.259 34.8844 182.133 PRESSAVG: 4214200 -22.0581 37.4451 18.049 37.4451 34.6244 -76.828 18.049 -76.8279 -41.3919 GPRESSAVG: 4214200 -22.8259 39.131 13.6543 35.2485 34.5427 -77.3046 20.7389 -75.8884 -40.6531 TIMING: 4214200 CPU: 12201.9, 0.00285939/step Wall: 12201.9, 0.00285939/step, 0.624142 hours remaining, 209.964844 MB of memory in use. ENERGY: 4214200 710.3502 2021.9114 1967.4869 103.8390 -206142.8968 17628.5905 0.0000 0.0000 34413.6496 -149297.0692 300.5430 -183710.7188 -149201.9439 299.1500 -54.6105 -22.1412 558238.2559 -9.6085 -9.6454 PRESSURE: 4214400 186.146 -40.756 -169.786 -40.7564 40.6657 -65.058 -169.786 -65.0573 -30.7688 GPRESSURE: 4214400 231.675 46.5901 -291.089 -115.814 71.0471 27.9302 -50.7595 -10.2361 -9.06979 PRESSAVG: 4214400 32.9846 -15.6077 -6.67508 -15.6076 20.7774 -33.0841 -6.67502 -33.0842 -67.7063 GPRESSAVG: 4214400 34.5277 -16.9698 -6.27127 -15.0025 19.9138 -34.824 -8.07807 -32.9312 -68.0783 TIMING: 4214400 CPU: 12202.5, 0.00286072/step Wall: 12202.5, 0.00286072/step, 0.624274 hours remaining, 209.964844 MB of memory in use. ENERGY: 4214400 718.1323 2056.7155 1968.4232 113.1286 -206324.9540 17886.3270 0.0000 0.0000 34227.0292 -149355.1981 298.9132 -183582.2273 -149258.8002 298.5356 65.3477 97.8840 557799.5804 -4.6481 -4.5456 PRESSURE: 4214600 -37.0081 42.2746 45.2685 42.2742 96.6351 19.0621 45.2684 19.0625 98.0751 GPRESSURE: 4214600 -33.7007 69.6999 -2.11851 17.8101 199.706 -48.4155 27.2589 7.65499 86.6079 PRESSAVG: 4214600 6.40034 55.8431 -42.0874 55.843 7.36412 5.76855 -42.0875 5.76856 -42.7987 GPRESSAVG: 4214600 5.675 58.6851 -40.9715 55.0925 7.48142 6.2852 -43.548 5.50533 -42.6836 TIMING: 4214600 CPU: 12203, 0.00287171/step Wall: 12203, 0.00287171/step, 0.626512 hours remaining, 209.964844 MB of memory in use. ENERGY: 4214600 752.5136 2031.1925 1971.1743 111.4349 -206299.2925 17801.3116 0.0000 0.0000 34220.4758 -149411.1899 298.8559 -183631.6657 -149318.7388 298.6820 52.5674 84.2045 556040.7077 -9.6781 -9.8424 PRESSURE: 4214800 -29.6245 -2.32435 37.7213 -2.32455 -62.8801 29.5576 37.721 29.5588 -26.7104 GPRESSURE: 4214800 7.674 66.3696 -11.1479 -30.3735 -0.0689398 10.0453 7.43911 50.8438 -24.1296 PRESSAVG: 4214800 9.16891 9.34438 -26.2123 9.34437 43.6616 30.12 -26.2123 30.12 -49.0238 GPRESSAVG: 4214800 9.30284 6.096 -27.4011 8.18244 44.4857 30.7089 -23.3616 30.0072 -50.5713 TIMING: 4214800 CPU: 12203.6, 0.0028501/step Wall: 12203.6, 0.0028501/step, 0.621638 hours remaining, 209.964844 MB of memory in use. ENERGY: 4214800 734.7899 2071.4641 1937.7771 121.0692 -206176.9185 17701.7735 0.0000 0.0000 34296.2443 -149313.8003 299.5176 -183610.0447 -149225.3247 298.7166 -39.7383 -5.5082 557530.1476 1.2689 1.0724 PRESSURE: 4215000 -11.1515 98.9963 -97.5738 98.9974 -123.541 -61.8059 -97.5735 -61.8065 -194.607 GPRESSURE: 4215000 52.6659 140.798 -115.438 131.378 -113.841 -146.861 1.17112 -51.78 -161.359 PRESSAVG: 4215000 26.3111 -16.4046 -60.2684 -16.4046 14.4961 3.49813 -60.2684 3.49815 -74.3602 GPRESSAVG: 4215000 26.2413 -13.7459 -58.2708 -15.963 13.7296 3.29097 -62.4884 3.07591 -73.5687 TIMING: 4215000 CPU: 12204.2, 0.00286205/step Wall: 12204.2, 0.00286205/step, 0.624086 hours remaining, 209.964844 MB of memory in use. ENERGY: 4215000 738.0198 2092.5641 1950.9186 119.4152 -206439.0624 17700.7736 0.0000 0.0000 34518.4587 -149318.9124 301.4583 -183837.3711 -149211.4274 298.9357 -109.7662 -74.1778 558407.1214 -11.1843 -11.1993 PRESSURE: 4215200 321.741 -90.9591 124.463 -90.9594 -26.1198 66.1657 124.464 66.1668 -41.2997 GPRESSURE: 4215200 307.576 -63.8118 187.087 -148.899 38.8692 60.47 7.23709 82.7152 0.321368 PRESSAVG: 4215200 75.9645 -2.6359 -7.46095 -2.63591 -66.5101 -23.3708 -7.46095 -23.3708 -2.52743 GPRESSAVG: 4215200 74.5791 -2.97404 -5.91921 0.440825 -66.6851 -23.9293 -7.97418 -23.4417 -1.5603 TIMING: 4215200 CPU: 12204.8, 0.00286821/step Wall: 12204.8, 0.00286821/step, 0.625271 hours remaining, 209.964844 MB of memory in use. ENERGY: 4215200 718.3014 2084.8305 1940.0490 108.6083 -206483.4976 17875.8208 0.0000 0.0000 34244.4975 -149511.3901 299.0657 -183755.8876 -149417.7486 298.2591 84.7737 115.5888 557426.2341 2.3090 2.1112 PRESSURE: 4215400 248.281 125.262 -43.8909 125.262 107.671 -38.4493 -43.8915 -38.4497 -19.7531 GPRESSURE: 4215400 333.595 83.8767 -104.575 139.292 87.9938 16.4545 -66.8095 14.193 12.9337 PRESSAVG: 4215400 -37.162 71.4028 -17.5534 71.4028 60.3653 33.7995 -17.5535 33.7994 -43.6285 GPRESSAVG: 4215400 -36.4592 70.0421 -19.7096 69.1388 60.3001 35.3092 -17.3462 34.4509 -44.6318 TIMING: 4215400 CPU: 12205.3, 0.00286665/step Wall: 12205.3, 0.00286665/step, 0.624771 hours remaining, 209.964844 MB of memory in use. ENERGY: 4215400 751.8622 2081.6484 1944.0942 108.9107 -206464.2422 17929.6503 0.0000 0.0000 34362.0171 -149286.0595 300.0920 -183648.0765 -149187.0366 299.0604 112.0663 144.8407 557182.9387 -6.8084 -6.9303 PRESSURE: 4215600 -152.073 141.859 -71.4782 141.858 -138.418 83.7113 -71.4781 83.7088 -146.071 GPRESSURE: 4215600 -173.166 154.308 -117.852 125.294 -83.278 84.1655 -72.848 46.326 -82.6337 PRESSAVG: 4215600 28.1005 49.1631 11.2339 49.163 -1.79234 7.99123 11.2339 7.99125 -43.7051 GPRESSAVG: 4215600 26.9836 48.2297 10.3916 51.2665 -1.02378 8.71552 13.4988 7.55545 -43.9184 TIMING: 4215600 CPU: 12205.9, 0.00285999/step Wall: 12205.9, 0.00285999/step, 0.62316 hours remaining, 209.964844 MB of memory in use. ENERGY: 4215600 791.2546 2069.9547 1956.3902 107.8935 -206096.8617 17645.6696 0.0000 0.0000 34434.7122 -149090.9868 300.7269 -183525.6990 -149002.2779 299.9566 -145.5206 -113.0259 556472.0771 -5.7990 -5.9862 PRESSURE: 4215800 -8.69622 -53.0615 -34.0606 -53.0618 7.42905 55.8857 -34.0617 55.8854 -19.6462 GPRESSURE: 4215800 37.3033 -58.6149 27.7733 -101.907 18.9556 52.4044 -34.2221 13.5092 20.6946 PRESSAVG: 4215800 -49.5474 34.0571 -40.9695 34.0571 34.3018 99.7785 -40.9697 99.7786 -2.29573 GPRESSAVG: 4215800 -47.9674 36.9171 -40.3639 31.9897 32.3998 101.844 -41.7783 97.0024 -2.10597 TIMING: 4215800 CPU: 12206.5, 0.00286937/step Wall: 12206.5, 0.00286937/step, 0.625044 hours remaining, 209.964844 MB of memory in use. ENERGY: 4215800 768.1028 2074.1258 1957.4388 103.6366 -206326.3178 17734.1257 0.0000 0.0000 34441.7876 -149247.1005 300.7887 -183688.8881 -149140.2057 299.8907 -6.9711 25.6512 555493.1162 -5.8471 -5.8912 PRESSURE: 4216000 126.032 -145.256 92.1617 -145.256 62.104 61.2383 92.1616 61.2396 39.0028 GPRESSURE: 4216000 130.03 -219.112 127.285 -166.965 122.5 100.639 100.767 -46.9939 79.7181 PRESSAVG: 4216000 -15.2141 -45.413 5.38176 -45.413 9.81532 28.2773 5.38171 28.2774 -25.9489 GPRESSAVG: 4216000 -16.6804 -47.6027 5.10153 -45.6761 11.0452 27.0451 4.64099 30.256 -26.1101 TIMING: 4216000 CPU: 12207.1, 0.00287162/step Wall: 12207.1, 0.00287162/step, 0.625376 hours remaining, 209.964844 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: 4216000 702.8777 2052.0716 1937.8081 102.1782 -206001.9916 17845.1754 0.0000 0.0000 34134.3891 -149227.4915 298.1041 -183361.8806 -149123.7656 299.2003 75.7128 110.7494 555416.4604 -10.4492 -10.5818 PRESSURE: 4216200 -154.609 128.189 186.709 128.19 328.693 54.5854 186.709 54.5876 62.6992 GPRESSURE: 4216200 -102.444 107.552 89.1959 226.857 370.925 -4.66408 153.467 123.702 71.1392 PRESSAVG: 4216200 -3.0585 -13.0208 23.9451 -13.0209 68.9523 27.9356 23.9451 27.9355 -67.3401 GPRESSAVG: 4216200 -3.2055 -13.7572 24.9112 -12.5928 70.1124 27.2607 24.7635 28.6818 -68.0643 TIMING: 4216200 CPU: 12207.6, 0.00287031/step Wall: 12207.6, 0.00287031/step, 0.624931 hours remaining, 209.964844 MB of memory in use. ENERGY: 4216200 728.9406 2061.1144 1937.3829 106.1052 -206292.0869 17857.0619 0.0000 0.0000 34147.8401 -149453.6418 298.2216 -183601.4819 -149360.0001 298.6374 78.9279 113.2066 555529.5997 -0.4821 -0.3858 LDB: ============= START OF LOAD BALANCING ============== 12211 LDB: ============== END OF LOAD BALANCING =============== 12211 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12211 LDB: ============= START OF LOAD BALANCING ============== 12211.3 LDB: Largest compute 4773 load 0.023128 is 19.6% of average load 0.118077 LDB: Average compute 0.001724 is 1.5% of average load 0.118077 LDB: TIME 12211.3 LOAD: AVG 0.118077 MAX 0.178697 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.379 MB LDB: TIME 12211.3 LOAD: AVG 0.118077 MAX 0.178697 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: TIME 12211.3 LOAD: AVG 0.118077 MAX 0.178697 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: ============== END OF LOAD BALANCING =============== 12211.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12211.3 PRESSURE: 4216400 -17.6201 78.0206 135.656 78.0205 2.04933 -168.697 135.655 -168.695 33.3011 GPRESSURE: 4216400 -1.74384 19.3037 43.8913 -18.7433 12.2344 -127.886 187.896 -259.002 99.501 PRESSAVG: 4216400 -71.3655 -10.4592 56.9994 -10.4592 12.0923 22.2077 56.9995 22.2078 18.8911 GPRESSAVG: 4216400 -69.8851 -10.1882 56.3565 -10.7044 9.95081 21.6764 56.654 22.1005 19.2926 TIMING: 4216400 CPU: 12208.2, 0.0029151/step Wall: 12208.2, 0.0029151/step, 0.634521 hours remaining, 212.148438 MB of memory in use. ENERGY: 4216400 725.4946 2086.7483 1958.3125 127.5417 -206355.5448 17778.6873 0.0000 0.0000 34466.2140 -149212.5463 301.0020 -183678.7603 -149121.6676 299.0570 5.9101 36.6639 555263.2946 -13.4607 -13.5472 PRESSURE: 4216600 -64.468 70.7969 78.5901 70.7965 -133.118 -167.207 78.5899 -167.205 10.2496 GPRESSURE: 4216600 -2.24691 95.8403 95.5851 68.1131 -122.046 -101.102 78.2358 -168.103 42.3186 PRESSAVG: 4216600 -14.8714 -14.5847 11.4813 -14.5847 -2.94988 7.97202 11.4813 7.97214 18.7761 GPRESSAVG: 4216600 -15.6542 -14.3212 11.5402 -15.7523 -2.02015 6.66878 12.2857 7.59793 18.7651 TIMING: 4216600 CPU: 12208.8, 0.00286088/step Wall: 12208.8, 0.00286088/step, 0.62256 hours remaining, 212.347656 MB of memory in use. ENERGY: 4216600 752.8553 2128.4588 1956.5830 115.9268 -206224.1817 17811.5096 0.0000 0.0000 34251.2381 -149207.6102 299.1246 -183458.8483 -149107.5224 299.4640 -62.4455 -27.3246 557309.6987 0.3183 0.3636 PRESSURE: 4216800 234.197 42.696 114.221 42.6966 -154.161 -282.2 114.219 -282.2 500.361 GPRESSURE: 4216800 298.415 66.576 77.402 4.79038 -98.2706 -254.112 83.8581 -252.922 475.028 PRESSAVG: 4216800 -13.1479 24.3717 18.1318 24.3718 -8.53568 -15.7658 18.1318 -15.7657 5.45521 GPRESSAVG: 4216800 -12.1058 23.9136 17.9061 26.7666 -9.07391 -14.7562 16.9162 -14.7349 5.33905 TIMING: 4216800 CPU: 12209.4, 0.00286811/step Wall: 12209.4, 0.00286811/step, 0.623973 hours remaining, 212.347656 MB of memory in use. ENERGY: 4216800 752.5398 2109.6678 1968.1455 113.4336 -206526.2995 18211.7551 0.0000 0.0000 34292.8032 -149077.9544 299.4876 -183370.7577 -148980.8394 299.5394 193.4656 225.0575 558632.3613 -5.4095 -5.2802 PRESSURE: 4217000 -261.663 7.016 -28.8404 7.01762 86.9115 -57.4698 -28.842 -57.4686 -179.356 GPRESSURE: 4217000 -206.142 -20.1739 -32.5962 95.0798 153.125 52.4481 40.9918 -55.9542 -188.029 PRESSAVG: 4217000 12.4647 1.02937 6.05932 1.02949 -18.0665 -9.34019 6.05926 -9.34023 33.4902 GPRESSAVG: 4217000 12.7095 0.884297 6.48885 2.41698 -18.0553 -10.4668 4.97197 -10.3096 33.1031 TIMING: 4217000 CPU: 12209.9, 0.00286981/step Wall: 12209.9, 0.00286981/step, 0.624183 hours remaining, 212.347656 MB of memory in use. ENERGY: 4217000 726.7854 2098.6045 1952.3490 123.8944 -206042.9613 17712.7104 0.0000 0.0000 34349.9111 -149078.7064 299.9863 -183428.6176 -148983.8251 300.2498 -118.0358 -80.3485 559379.1715 9.2961 9.2524 PRESSURE: 4217200 -486.808 -105.202 185.001 -105.203 65.5769 -86.0641 185.001 -86.063 -156.797 GPRESSURE: 4217200 -437.237 -105.213 95.8316 -79.8748 57.7461 -105.236 260.609 -81.4265 -105.32 PRESSAVG: 4217200 -19.5312 -10.6664 43.1744 -10.6664 10.0323 -7.10575 43.1743 -7.10573 -25.6144 GPRESSAVG: 4217200 -19.8373 -10.051 42.9252 -13.1502 9.53194 -4.05284 46.4178 -7.80954 -23.93 TIMING: 4217200 CPU: 12210.5, 0.00287447/step Wall: 12210.5, 0.00287447/step, 0.625038 hours remaining, 212.347656 MB of memory in use. ENERGY: 4217200 770.9167 2058.3380 1946.4929 105.5378 -205838.8311 17611.9574 0.0000 0.0000 34176.6196 -149168.9687 298.4729 -183345.5883 -149070.6409 299.3675 -192.6760 -161.6036 558669.2092 -11.7044 -11.4118 PRESSURE: 4217400 -105.027 117.688 -34.2784 117.687 213.814 -169.598 -34.2781 -169.599 -49.4781 GPRESSURE: 4217400 -63.7003 102.112 71.7441 105.059 233.641 -148.149 18.2826 -128.142 -20.1453 PRESSAVG: 4217400 -15.245 -52.5973 54.8605 -52.5974 51.6133 -28.7528 54.8605 -28.7528 -4.74909 GPRESSAVG: 4217400 -16.6574 -53.0983 52.9194 -52.3261 53.3576 -28.7493 55.5659 -26.3938 -4.94351 TIMING: 4217400 CPU: 12211.1, 0.00284897/step Wall: 12211.1, 0.00284897/step, 0.619334 hours remaining, 212.347656 MB of memory in use. ENERGY: 4217400 759.0158 2094.8465 1961.3395 102.8430 -206152.4067 17784.5103 0.0000 0.0000 34287.3183 -149162.5332 299.4397 -183449.8515 -149070.8429 299.5735 19.7696 49.9317 557219.0068 10.5397 10.5856 PRESSURE: 4217600 7.81942 -70.2897 1.71031 -70.2896 -262.197 -94.226 1.71023 -94.2259 -80.7724 GPRESSURE: 4217600 84.1438 36.7583 33.0771 -132.351 -232.05 -83.8344 6.98365 -90.2013 -79.3778 PRESSAVG: 4217600 -26.261 -16.7824 21.6264 -16.7825 43.2704 -60.5164 21.6264 -60.5163 16.2332 GPRESSAVG: 4217600 -24.7474 -14.5614 24.2102 -16.4574 42.4844 -60.3063 17.8326 -62.6365 15.2092 TIMING: 4217600 CPU: 12211.7, 0.00286452/step Wall: 12211.7, 0.00286452/step, 0.622557 hours remaining, 212.347656 MB of memory in use. ENERGY: 4217600 729.4404 2099.9808 1973.4705 120.3474 -206143.5180 17751.7793 0.0000 0.0000 34339.3237 -149129.1759 299.8939 -183468.4996 -149040.2244 300.2096 -111.7166 -75.7614 557380.0283 11.0809 10.9821 PRESSURE: 4217800 108.298 -20.8713 83.2231 -20.872 47.2695 68.8028 83.2234 68.8032 48.2584 GPRESSURE: 4217800 246.917 -48.5598 115.191 -20.6328 81.0193 55.9398 85.4965 20.9397 -26.3788 PRESSAVG: 4217800 22.2849 -27.7364 -4.73097 -27.7365 -6.02334 19.8103 -4.73104 19.8104 -19.085 GPRESSAVG: 4217800 22.5424 -28.9717 -3.98406 -27.414 -5.23143 17.4059 -2.65562 21.3335 -20.0836 TIMING: 4217800 CPU: 12212.2, 0.002856/step Wall: 12212.2, 0.002856/step, 0.620545 hours remaining, 212.347656 MB of memory in use. ENERGY: 4217800 728.5426 2061.0670 1957.0068 112.0519 -205941.5581 17858.3792 0.0000 0.0000 34343.9521 -148880.5586 299.9343 -183224.5107 -148782.1208 299.2112 67.9418 100.5192 557326.9374 -0.9412 -0.9242 PRESSURE: 4218000 184.596 301.931 -17.9304 301.931 98.5835 -147.046 -17.9299 -147.047 25.2751 GPRESSURE: 4218000 182.033 291.463 -1.04057 239.335 160.949 -130.804 6.18742 -183.267 65.4279 PRESSAVG: 4218000 -2.73532 9.54726 38.736 9.54724 51.4048 -19.3234 38.7359 -19.3234 -18.2378 GPRESSAVG: 4218000 -1.63425 9.69378 40.7284 9.13876 50.0345 -20.1723 37.7812 -20.3318 -17.841 TIMING: 4218000 CPU: 12212.8, 0.00285996/step Wall: 12212.8, 0.00285996/step, 0.621247 hours remaining, 212.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4218000 728.8060 2098.8763 1915.3682 112.4168 -206052.2999 17965.9850 0.0000 0.0000 34253.1422 -148977.7055 299.1412 -183230.8477 -148878.8074 299.9163 102.8181 136.1365 559031.4241 10.1439 10.1864 PRESSURE: 4218200 95.2426 142.579 -49.827 142.579 -230.342 -118.239 -49.8274 -118.239 -205.549 GPRESSURE: 4218200 77.21 59.2281 -12.0474 272.682 -179.642 -91.4528 -60.1494 -144.14 -148.007 PRESSAVG: 4218200 72.7411 47.1317 38.8292 47.1317 -80.2203 -61.507 38.8292 -61.5071 4.05574 GPRESSAVG: 4218200 72.0627 46.8185 35.1816 47.7603 -80.7269 -59.5729 40.8343 -63.0966 5.5853 TIMING: 4218200 CPU: 12213.4, 0.00287103/step Wall: 12213.4, 0.00287103/step, 0.623492 hours remaining, 212.347656 MB of memory in use. ENERGY: 4218200 758.5932 2097.6520 1925.3907 100.5508 -206134.3271 17821.7787 0.0000 0.0000 34426.5032 -149003.8586 300.6552 -183430.3618 -148904.1012 299.0464 -113.5493 -83.4798 559391.4086 -1.1412 -1.0263 PRESSURE: 4218400 -84.1547 -69.9507 -2.37574 -69.9508 120.107 -110.857 -2.37518 -110.857 -13.781 GPRESSURE: 4218400 -49.2298 -51.1737 4.77053 -97.3225 121.712 -43.9346 21.8934 -117.409 41.4653 PRESSAVG: 4218400 -6.88729 24.7628 -6.27832 24.7628 3.36866 15.0186 -6.27827 15.0187 9.64144 GPRESSAVG: 4218400 -6.81523 24.293 -4.51035 24.4593 3.31158 12.8402 -8.32326 17.2849 9.3093 TIMING: 4218400 CPU: 12213.9, 0.00287968/step Wall: 12213.9, 0.00287968/step, 0.625211 hours remaining, 212.347656 MB of memory in use. ENERGY: 4218400 717.5472 2057.4726 1956.9510 110.2340 -206098.4724 17772.7745 0.0000 0.0000 34382.9509 -149100.5421 300.2749 -183483.4930 -149003.4020 300.0522 7.3905 37.9826 558053.5346 2.0409 1.9352 PRESSURE: 4218600 -100.447 -39.5647 -11.5516 -39.5644 -188.305 8.90078 -11.5518 8.90047 -128.366 GPRESSURE: 4218600 -34.8146 -28.3576 -57.5749 -74.74 -143.722 10.7744 -75.5814 1.45642 -140.158 PRESSAVG: 4218600 21.554 -13.9334 -36.1639 -13.9334 41.6166 -9.76983 -36.1639 -9.76982 -24.6584 GPRESSAVG: 4218600 21.3868 -12.1694 -35.0381 -14.123 42.1388 -9.37747 -35.9229 -10.6949 -25.2621 TIMING: 4218600 CPU: 12214.5, 0.00290596/step Wall: 12214.5, 0.00290596/step, 0.630755 hours remaining, 212.347656 MB of memory in use. ENERGY: 4218600 726.1983 2088.6521 1959.5534 113.8535 -205891.2071 17592.3197 0.0000 0.0000 34229.7844 -149180.8457 298.9372 -183410.6302 -149083.5006 299.8058 -139.0393 -106.2315 557747.9361 12.8374 12.7545 PRESSURE: 4218800 -82.172 218.711 -21.5686 218.71 41.1564 -77.9444 -21.5696 -77.9442 -259.047 GPRESSURE: 4218800 -54.4505 240.879 66.7237 223.628 83.5954 -89.9585 0.725967 31.1268 -227.611 PRESSAVG: 4218800 43.2873 26.4245 23.2357 26.4246 -6.59244 -9.3899 23.2356 -9.38982 -58.2269 GPRESSAVG: 4218800 42.4093 23.6977 21.312 26.1409 -5.73008 -11.7035 23.6041 -8.10239 -58.3334 TIMING: 4218800 CPU: 12215.1, 0.00290864/step Wall: 12215.1, 0.00290865/step, 0.631176 hours remaining, 212.347656 MB of memory in use. ENERGY: 4218800 755.9858 2071.9969 1971.5197 122.4826 -205967.2777 17696.9243 0.0000 0.0000 34368.2757 -148980.0927 300.1467 -183348.3684 -148885.1633 299.6275 -100.0208 -66.1552 558453.2934 -7.1774 -7.2181 PRESSURE: 4219000 -79.7233 19.6557 110.607 19.655 -125.425 29.6346 110.606 29.6348 4.78853 GPRESSURE: 4219000 -70.6887 33.6593 140.901 -32.8124 -5.0856 43.6853 129.11 65.1431 -30.9629 PRESSAVG: 4219000 7.88203 20.5817 30.7808 20.5818 20.4715 56.7882 30.7808 56.7882 -36.0698 GPRESSAVG: 4219000 7.85522 20.6988 29.9707 22.5598 20.4226 58.8532 30.8871 55.8656 -35.8425 TIMING: 4219000 CPU: 12215.7, 0.00291553/step Wall: 12215.7, 0.00291553/step, 0.632509 hours remaining, 212.347656 MB of memory in use. ENERGY: 4219000 742.7217 2071.1377 1945.4254 104.1489 -205916.4994 17674.5477 0.0000 0.0000 34378.8448 -148999.6732 300.2390 -183378.5181 -148903.1958 300.1650 -66.7867 -35.5790 558514.6212 -2.5721 -2.5215 PRESSURE: 4219200 -148.821 23.5729 134.31 23.5734 -105.631 20.6708 134.31 20.6713 13.0146 GPRESSURE: 4219200 -86.6087 -57.695 54.2093 6.63152 -99.2354 -39.1984 142.139 22.8585 32.6493 PRESSAVG: 4219200 27.6186 55.5433 -4.06984 55.5434 -1.48829 17.8269 -4.06987 17.8269 -40.4369 GPRESSAVG: 4219200 27.8757 55.8598 -2.24755 53.2727 -2.77431 18.4038 -4.87276 15.5749 -39.3161 TIMING: 4219200 CPU: 12216.3, 0.00288841/step Wall: 12216.3, 0.00288841/step, 0.626463 hours remaining, 212.347656 MB of memory in use. ENERGY: 4219200 732.5528 2080.1261 1937.7752 117.7589 -206099.0962 17889.1749 0.0000 0.0000 34331.3908 -149010.3176 299.8246 -183341.7084 -148920.6830 299.2430 -80.4791 -51.0650 559274.9774 -4.7689 -4.7382 PRESSURE: 4219400 -166.563 15.2062 -36.1321 15.2057 57.7416 -23.0548 -36.1319 -23.0551 121.822 GPRESSURE: 4219400 -74.6932 62.5484 -11.2593 71.6286 64.7028 -59.9894 -79.5893 -32.889 124.134 PRESSAVG: 4219400 -37.3382 63.4653 -9.38484 63.4653 -13.2865 26.7518 -9.38483 26.7518 47.9006 GPRESSAVG: 4219400 -36.4109 62.9373 -10.3173 65.0726 -13.397 26.7709 -9.18849 29.1619 47.3431 TIMING: 4219400 CPU: 12216.8, 0.00287627/step Wall: 12216.8, 0.00287626/step, 0.62367 hours remaining, 212.347656 MB of memory in use. ENERGY: 4219400 738.7744 2070.9642 1961.8974 111.0040 -206355.0038 17931.6733 0.0000 0.0000 34574.3398 -148966.3508 301.9463 -183540.6906 -148870.5706 299.9049 4.3334 38.0478 557354.7618 -0.9080 -0.8216 PRESSURE: 4219600 -166.982 51.6557 -69.6026 51.656 -148.136 29.6283 -69.6037 29.63 -153.09 GPRESSURE: 4219600 -54.4486 60.3103 -44.6086 41.8562 -197.536 47.9128 -123.704 51.9825 -117.893 PRESSAVG: 4219600 40.8072 56.8823 -2.72049 56.8824 -48.6537 0.986469 -2.72054 0.986506 -35.2359 GPRESSAVG: 4219600 39.8444 58.4431 -1.55379 56.4456 -47.8412 0.151664 -3.9424 0.206611 -35.0749 TIMING: 4219600 CPU: 12217.4, 0.00286874/step Wall: 12217.4, 0.00286874/step, 0.621878 hours remaining, 212.347656 MB of memory in use. ENERGY: 4219600 763.6518 2044.6722 1962.8927 109.1785 -205647.2678 17515.3037 0.0000 0.0000 34470.8584 -148780.7104 301.0426 -183251.5688 -148689.4180 300.6805 -156.0692 -123.2926 558320.7549 -14.3608 -14.3572 PRESSURE: 4219800 -140.746 76.2308 230.822 76.2296 -349.292 53.3525 230.822 53.3508 -168.726 GPRESSURE: 4219800 -104.727 24.2215 181.879 62.2082 -326.134 80.9001 188.63 6.03354 -125.557 PRESSAVG: 4219800 54.4066 -8.3767 -4.89219 -8.37663 -7.43359 42.1515 -4.89227 42.1515 -18.9726 GPRESSAVG: 4219800 53.2174 -8.84823 -5.46915 -9.28192 -6.48596 42.41 -5.34931 42.5758 -18.4408 TIMING: 4219800 CPU: 12218, 0.00287279/step Wall: 12218, 0.00287279/step, 0.622596 hours remaining, 212.347656 MB of memory in use. ENERGY: 4219800 725.7809 2106.4817 1948.1830 104.5110 -205388.6143 17391.9691 0.0000 0.0000 34211.0744 -148900.6142 298.7738 -183111.6886 -148807.5323 300.1843 -219.5883 -185.4725 556955.6536 9.3335 9.4302 PRESSURE: 4220000 65.1527 -93.5601 -15.2613 -93.56 -351.84 -98.4646 -15.2625 -98.4645 -95.8981 GPRESSURE: 4220000 106.679 -101.883 51.2135 -105.508 -306.556 -20.4909 -24.8909 -133.458 -81.3093 PRESSAVG: 4220000 63.9343 -25.6998 -4.91877 -25.6998 -30.5014 -15.1351 -4.91872 -15.1352 -32.9638 GPRESSAVG: 4220000 64.0442 -24.6032 -4.19931 -24.1156 -29.4672 -11.9157 -5.64824 -15.3878 -33.803 TIMING: 4220000 CPU: 12218.6, 0.00286467/step Wall: 12218.6, 0.00286467/step, 0.620679 hours remaining, 212.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4220000 791.1370 2102.4313 1963.4118 101.6209 -205942.5244 17827.6823 0.0000 0.0000 34330.1874 -148826.0536 299.8141 -183156.2409 -148737.8849 299.6450 -127.5284 -93.7290 558084.9511 0.1564 0.2580 PRESSURE: 4220200 -13.1396 55.6445 -75.9104 55.6451 -104.098 9.66164 -75.9097 9.6616 -263.944 GPRESSURE: 4220200 12.8891 77.8296 -5.09654 75.5852 -101.189 19.9594 -139.216 37.3819 -190.681 PRESSAVG: 4220200 68.6355 -40.5269 -29.0414 -40.5268 -77.5656 31.6123 -29.0414 31.6122 4.20256 GPRESSAVG: 4220200 70.232 -43.5696 -28.8289 -40.1164 -78.6685 27.8815 -28.4218 33.5184 3.91932 TIMING: 4220200 CPU: 12219.1, 0.00286857/step Wall: 12219.1, 0.00286857/step, 0.621363 hours remaining, 212.347656 MB of memory in use. ENERGY: 4220200 740.6783 2149.3977 1938.2704 106.1071 -205839.0683 17546.5633 0.0000 0.0000 34460.1076 -148897.9439 300.9487 -183358.0514 -148801.3667 300.5071 -127.0607 -92.9936 558542.9876 -1.5758 -1.5057 LDB: ============= START OF LOAD BALANCING ============== 12222.5 LDB: ============== END OF LOAD BALANCING =============== 12222.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12222.5 LDB: ============= START OF LOAD BALANCING ============== 12222.8 LDB: Largest compute 4773 load 0.024301 is 20.6% of average load 0.117983 LDB: Average compute 0.001727 is 1.5% of average load 0.117983 LDB: TIME 12222.8 LOAD: AVG 0.117983 MAX 0.179454 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.68 MB LDB: TIME 12222.8 LOAD: AVG 0.117983 MAX 0.179454 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.68 MB LDB: TIME 12222.8 LOAD: AVG 0.117983 MAX 0.179454 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12222.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12222.8 PRESSURE: 4220400 96.8915 -20.5895 114.078 -20.5899 -35.4317 -11.6104 114.08 -11.6089 -34.3174 GPRESSURE: 4220400 162.333 -47.9819 104.844 0.0312224 32.7128 -19.7579 148.633 -10.2891 -58.5427 PRESSAVG: 4220400 55.8737 -38.1499 38.8111 -38.1499 -44.4028 -10.4298 38.8111 -10.4298 -6.11322 GPRESSAVG: 4220400 55.4173 -34.8125 39.4531 -41.0625 -44.3329 -9.38509 38.7658 -13.7031 -5.21972 TIMING: 4220400 CPU: 12219.7, 0.00293607/step Wall: 12219.7, 0.00293607/step, 0.635821 hours remaining, 211.125000 MB of memory in use. ENERGY: 4220400 744.9267 2088.5259 1933.2963 128.6164 -205959.4597 17827.9790 0.0000 0.0000 34341.4030 -148894.7123 299.9120 -183236.1153 -148809.0621 300.0232 9.0475 45.5010 557792.1336 1.7859 1.9549 PRESSURE: 4220600 -90.5608 -57.8444 -36.6311 -57.846 -446.127 98.5704 -36.6297 98.5709 276.624 GPRESSURE: 4220600 -79.4127 -64.5071 -67.6653 -104.116 -373.86 138.61 -22.8225 120.454 283.531 PRESSAVG: 4220600 71.3779 19.5142 -25.4752 19.5141 -77.7592 7.98397 -25.4752 7.98403 14.1425 GPRESSAVG: 4220600 70.9416 18.627 -26.2011 22.0624 -77.6031 8.20434 -25.1761 8.86172 14.0483 TIMING: 4220600 CPU: 12220.3, 0.00286923/step Wall: 12220.3, 0.00286923/step, 0.621189 hours remaining, 211.125000 MB of memory in use. ENERGY: 4220600 745.0149 2095.1362 1913.4742 106.0974 -205739.9569 17552.2702 0.0000 0.0000 34356.5282 -148971.4357 300.0441 -183327.9640 -148879.1055 299.8765 -86.6878 -56.5806 555861.5696 2.5871 2.4623 PRESSURE: 4220800 -124.452 -39.8965 -135.339 -39.8962 156.052 178.969 -135.34 178.97 -73.2672 GPRESSURE: 4220800 -97.2997 -41.8437 -178.156 -65.8096 125.773 143.487 -176.736 133.675 17.7215 PRESSAVG: 4220800 35.8303 49.2941 -5.99531 49.2941 -30.9372 31.7868 -5.99538 31.7869 34.2866 GPRESSAVG: 4220800 36.9186 48 -7.95829 48.8781 -31.7694 32.4178 -4.85182 31.4383 33.9937 TIMING: 4220800 CPU: 12220.9, 0.00287632/step Wall: 12220.9, 0.00287632/step, 0.622563 hours remaining, 211.125000 MB of memory in use. ENERGY: 4220800 736.8789 2056.7054 1956.6533 106.4743 -206005.7902 17659.4767 0.0000 0.0000 34229.2049 -149260.3966 298.9322 -183489.6015 -149159.0316 299.4368 -13.8891 15.3984 557163.2979 13.0599 13.0476 PRESSURE: 4221000 -28.7897 101.642 -26.4987 101.642 -146.5 -122.485 -26.4965 -122.485 -271.187 GPRESSURE: 4221000 -7.10169 130.454 74.4248 32.1458 -146.7 -56.0052 -174.823 -86.9429 -182.765 PRESSAVG: 4221000 23.1993 16.3358 -77.8981 16.3358 -10.4161 20.8318 -77.8981 20.8317 13.7192 GPRESSAVG: 4221000 22.5269 16.5704 -77.6737 15.7837 -9.96103 20.2399 -79.345 20.2484 14.0598 TIMING: 4221000 CPU: 12221.4, 0.00287615/step Wall: 12221.4, 0.00287615/step, 0.622367 hours remaining, 211.125000 MB of memory in use. ENERGY: 4221000 712.3940 2064.9871 1905.9445 96.3422 -205573.6358 17426.8306 0.0000 0.0000 34261.1144 -149106.0230 299.2108 -183367.1374 -149006.0256 298.8186 -148.8253 -112.1888 557711.1042 8.8341 8.8752 PRESSURE: 4221200 57.6937 99.1849 63.6894 99.184 -201.51 4.37229 63.6894 4.37242 92.7719 GPRESSURE: 4221200 76.4393 11.7317 70.6694 133.556 -143.907 37.7955 63.6079 18.6418 106.744 PRESSAVG: 4221200 -10.3141 41.4857 -35.175 41.4857 -10.247 11.5551 -35.1749 11.555 43.6591 GPRESSAVG: 4221200 -10.188 43.0053 -32.8592 40.352 -9.94236 10.9033 -34.9744 14.6484 43.2276 TIMING: 4221200 CPU: 12222, 0.00287922/step Wall: 12222, 0.00287922/step, 0.622871 hours remaining, 211.125000 MB of memory in use. ENERGY: 4221200 722.3673 2060.7481 1929.8313 109.2940 -206303.2938 17856.0614 0.0000 0.0000 34262.6785 -149362.3132 299.2245 -183624.9917 -149260.0209 298.5568 -17.0149 13.0922 557106.7005 7.6994 7.6991 PRESSURE: 4221400 -133.234 50.7359 -37.4807 50.7364 8.13595 -189.023 -37.4808 -189.024 305.193 GPRESSURE: 4221400 -104.798 85.1794 47.0149 82.9433 73.7388 -137.71 -5.18497 -259.631 315.572 PRESSAVG: 4221400 -66.2952 -11.0263 49.8367 -11.0263 -14.6916 35.0029 49.8367 35.003 55.6793 GPRESSAVG: 4221400 -65.7699 -11.3753 48.097 -10.5295 -14.1974 34.5846 49.6138 33.4616 55.1836 TIMING: 4221400 CPU: 12222.6, 0.00289395/step Wall: 12222.6, 0.00289395/step, 0.625898 hours remaining, 211.125000 MB of memory in use. ENERGY: 4221400 730.1959 2120.0302 1980.6547 114.4712 -206357.2015 17857.6146 0.0000 0.0000 34258.4009 -149295.8340 299.1871 -183554.2349 -149198.1600 299.0959 60.0316 94.8375 557372.6018 -8.4359 -8.2612 PRESSURE: 4221600 170.823 -38.3752 -72.6496 -38.377 -22.9673 37.4313 -72.6493 37.4325 -93.8914 GPRESSURE: 4221600 151.426 15.025 -17.791 -117.181 34.6181 54.3839 -78.7297 -16.7634 -28.3273 PRESSAVG: 4221600 -29.7866 -36.9629 -50.3994 -36.9628 -32.1752 12.0372 -50.3994 12.0371 76.8977 GPRESSAVG: 4221600 -29.8053 -36.2064 -49.4999 -38.6881 -32.2299 13.5425 -49.0701 11.6692 77.2142 TIMING: 4221600 CPU: 12223.2, 0.00289037/step Wall: 12223.2, 0.00289037/step, 0.624963 hours remaining, 211.125000 MB of memory in use. ENERGY: 4221600 693.7557 2058.3078 1938.2164 111.2804 -206240.0423 17788.2895 0.0000 0.0000 34470.5455 -149179.6470 301.0398 -183650.1925 -149083.1718 299.1081 17.9881 52.5724 557022.6290 4.9786 5.0597 PRESSURE: 4221800 191.454 -26.6028 -237.044 -26.6027 13.0782 27.2186 -237.043 27.2191 -186.429 GPRESSURE: 4221800 175.608 -28.8359 -183.817 -5.5242 69.0669 34.2824 -240.429 -3.76002 -133.488 PRESSAVG: 4221800 -30.7458 -51.0313 18.8003 -51.0314 71.419 48.8464 18.8003 48.8462 -36.6783 GPRESSAVG: 4221800 -30.3232 -52.8863 17.8153 -50.2689 71.7518 48.8095 17.2875 47.4567 -36.8962 TIMING: 4221800 CPU: 12223.8, 0.00286628/step Wall: 12223.8, 0.00286628/step, 0.619595 hours remaining, 211.125000 MB of memory in use. ENERGY: 4221800 747.5031 2054.2948 1949.3610 130.6061 -205928.1266 17895.5859 0.0000 0.0000 34125.3177 -149025.4581 298.0249 -183150.7757 -148929.8581 299.3342 6.0347 37.0623 559382.3237 1.3317 1.5108 PRESSURE: 4222000 34.4126 -20.7015 90.8314 -20.7013 -108.834 -146.265 90.8316 -146.266 -18.0234 GPRESSURE: 4222000 91.5886 -52.919 121.299 -13.7474 -58.0817 -144.04 -31.8735 -60.2753 -24.3666 PRESSAVG: 4222000 63.7219 -13.44 -3.5436 -13.4401 -5.4513 -29.1075 -3.5436 -29.1076 -16.289 GPRESSAVG: 4222000 62.5452 -13.9415 -1.18604 -12.1747 -5.60383 -27.8916 -4.58366 -29.8383 -15.2921 TIMING: 4222000 CPU: 12224.3, 0.0028697/step Wall: 12224.3, 0.0028697/step, 0.620173 hours remaining, 211.125000 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: 4222000 712.4246 2083.3254 1963.8963 111.5051 -205674.3011 17616.1568 0.0000 0.0000 34151.8087 -149035.1841 298.2562 -183186.9928 -148935.8350 299.5693 -30.8149 3.0468 557734.1823 13.9939 13.8831 PRESSURE: 4222200 -57.7933 -118.327 104.008 -118.328 -352.656 -21.9543 104.008 -21.9557 -169.904 GPRESSURE: 4222200 -12.387 -62.6377 54.9276 -75.812 -279.651 -3.58536 51.9787 -28.357 -181.606 PRESSAVG: 4222200 23.8749 -11.1901 55.5249 -11.1902 -35.2508 4.87708 55.5249 4.87706 -29.9504 GPRESSAVG: 4222200 24.7648 -9.72823 52.8783 -11.5759 -35.1741 5.2301 58.175 6.55549 -30.9167 TIMING: 4222200 CPU: 12224.9, 0.00288706/step Wall: 12224.9, 0.00288706/step, 0.623765 hours remaining, 211.125000 MB of memory in use. ENERGY: 4222200 776.9645 2076.1486 1947.7280 114.6455 -205646.2409 17507.3523 0.0000 0.0000 34372.4700 -148850.9320 300.1833 -183223.4020 -148752.3624 300.1301 -193.4509 -157.8814 558741.8480 -13.7755 -13.7753 PRESSURE: 4222400 -275.158 80.2236 25.8345 80.2228 -200.214 -148.232 25.8327 -148.234 -160.324 GPRESSURE: 4222400 -293.225 93.0727 53.2634 176.428 -126.242 -80.1614 40.2519 -172.879 -110.224 PRESSAVG: 4222400 49.2043 -3.32425 -48.9313 -3.32426 0.0321002 -14.4022 -48.9312 -14.4024 -32.9445 GPRESSAVG: 4222400 49.1529 -3.95293 -47.2565 -2.42031 -1.35718 -14.603 -51.5662 -13.6829 -31.8939 TIMING: 4222400 CPU: 12225.5, 0.00288232/step Wall: 12225.5, 0.00288232/step, 0.622581 hours remaining, 211.125000 MB of memory in use. ENERGY: 4222400 782.0431 2084.3343 1935.4739 106.6625 -205474.9737 17555.4666 0.0000 0.0000 34386.0161 -148624.9772 300.3016 -183010.9933 -148522.5612 300.5167 -211.8987 -176.5635 560104.1174 5.4306 5.3006 PRESSURE: 4222600 4.82641 5.34676 16.3916 5.34731 -121.503 -27.7884 16.3906 -27.7879 -50.3865 GPRESSURE: 4222600 -48.3005 -98.5769 47.4188 41.5365 -25.0942 -16.4339 -56.9616 -28.2746 4.40154 PRESSAVG: 4222600 -9.80545 5.34011 1.90894 5.34004 0.290165 11.2461 1.90895 11.2461 20.7297 GPRESSAVG: 4222600 -10.5115 4.09848 2.40465 5.3392 0.42874 11.2032 1.47366 10.1502 21.2465 TIMING: 4222600 CPU: 12226.1, 0.00286122/step Wall: 12226.1, 0.00286122/step, 0.617864 hours remaining, 211.125000 MB of memory in use. ENERGY: 4222600 757.1658 2047.3037 1930.3086 118.8570 -205872.1791 17708.1489 0.0000 0.0000 34660.9852 -148649.4099 302.7030 -183310.3951 -148548.3026 300.8464 -55.6877 -22.9977 558389.7021 3.7381 3.7212 PRESSURE: 4222800 -143.778 38.2514 -21.3928 38.2509 -76.959 75.1901 -21.3926 75.1885 -36.1449 GPRESSURE: 4222800 -59.2563 44.9355 -33.0062 -32.8305 -82.8977 -13.8028 16.5485 82.9718 -21.0056 PRESSAVG: 4222800 55.5017 -79.7612 43.6235 -79.7612 -36.9051 34.4467 43.6236 34.4467 23.5676 GPRESSAVG: 4222800 56.5167 -79.7108 43.7441 -81.0623 -36.1895 33.3103 43.5595 35.2781 21.9108 TIMING: 4222800 CPU: 12226.6, 0.00288847/step Wall: 12226.6, 0.00288847/step, 0.623589 hours remaining, 211.125000 MB of memory in use. ENERGY: 4222800 734.0124 2085.1014 1942.1718 104.7097 -205885.9092 17621.0880 0.0000 0.0000 34713.5226 -148685.3034 303.1618 -183398.8260 -148595.3357 301.5242 -85.6273 -54.3865 557585.8397 14.0548 14.0793 PRESSURE: 4223000 -44.8012 -44.4646 145.283 -44.4648 -155.518 160.201 145.284 160.2 -339.303 GPRESSURE: 4223000 -40.8995 -2.10076 63.4169 -83.0531 -100.968 152.661 161.983 104.098 -310.35 PRESSAVG: 4223000 -35.0238 21.2831 31.1959 21.2831 43.3927 4.90038 31.1959 4.90033 -50.0973 GPRESSAVG: 4223000 -35.083 22.4495 30.6483 21.7717 43.3284 4.55854 32.1606 4.63157 -49.3164 TIMING: 4223000 CPU: 12227.2, 0.0028775/step Wall: 12227.2, 0.0028775/step, 0.621061 hours remaining, 211.125000 MB of memory in use. ENERGY: 4223000 751.0154 2109.9594 1947.8438 102.1960 -205653.0600 17528.7827 0.0000 0.0000 34373.3002 -148839.9625 300.1906 -183213.2627 -148742.8896 300.5304 -179.8741 -150.7389 558677.0822 -13.9095 -13.6903 PRESSURE: 4223200 -204.674 -104.325 48.6494 -104.326 154.004 79.8348 48.6491 79.8346 118.639 GPRESSURE: 4223200 -173.32 -57.0763 0.018451 -120.416 199.084 77.2193 34.8359 12.8845 139.447 PRESSAVG: 4223200 51.5782 -30.767 24.3444 -30.767 -21.4504 96.7269 24.3444 96.7269 -0.672604 GPRESSAVG: 4223200 51.0497 -31.0916 24.7333 -30.8566 -21.1045 96.7008 25.8775 97.3468 -1.298 TIMING: 4223200 CPU: 12227.8, 0.002872/step Wall: 12227.8, 0.002872/step, 0.619715 hours remaining, 211.125000 MB of memory in use. ENERGY: 4223200 743.5627 2148.2281 1949.9583 113.2445 -205898.3996 17997.9045 0.0000 0.0000 34143.5649 -148801.9366 298.1842 -182945.5016 -148701.3936 300.0911 22.6563 55.0702 560176.1649 9.8184 9.5490 PRESSURE: 4223400 187.285 156.02 -44.378 156.018 18.1912 -107.28 -44.3781 -107.28 -359.869 GPRESSURE: 4223400 159.267 141.054 0.355042 150.565 65.8034 -80.3897 -53.1459 -74.0877 -291.415 PRESSAVG: 4223400 25.1803 -68.9544 62.9377 -68.9544 11.8562 7.86327 62.9377 7.86344 -33.1767 GPRESSAVG: 4223400 25.0049 -68.2759 63.7065 -68.7486 11.3968 8.86372 58.8017 5.17076 -33.0447 TIMING: 4223400 CPU: 12228.4, 0.00285232/step Wall: 12228.4, 0.00285232/step, 0.615308 hours remaining, 211.125000 MB of memory in use. ENERGY: 4223400 718.2149 2098.6704 1964.2905 123.8363 -206040.4321 17951.4431 0.0000 0.0000 34307.1619 -148876.8151 299.6130 -183183.9770 -148784.2308 299.7073 -51.4641 -22.1148 559434.7052 1.2866 1.1190 PRESSURE: 4223600 -269.319 -7.88309 92.4518 -7.88364 -196.311 -5.79456 92.4503 -5.79379 -368.025 GPRESSURE: 4223600 -195.965 -11.5311 85.184 -36.7293 -203.763 -45.7366 51.6406 1.89437 -326.758 PRESSAVG: 4223600 -5.12587 1.49773 39.7087 1.49781 34.8321 -26.7516 39.7086 -26.7516 -34.3868 GPRESSAVG: 4223600 -3.72801 1.85561 35.986 1.70255 32.8229 -26.5164 41.8112 -26.275 -33.9292 TIMING: 4223600 CPU: 12228.9, 0.00286611/step Wall: 12228.9, 0.00286611/step, 0.618124 hours remaining, 211.125000 MB of memory in use. ENERGY: 4223600 749.1565 2080.9070 1942.4700 122.5729 -205595.1969 17410.7206 0.0000 0.0000 34292.5675 -148996.8024 299.4855 -183289.3699 -148900.7661 300.2329 -277.8847 -242.1618 559401.5023 -1.5602 -1.6115 PRESSURE: 4223800 7.14227 -134.169 5.82423 -134.17 11.3861 183.711 5.82326 183.711 -24.3326 GPRESSURE: 4223800 46.222 -98.8909 42.8723 -71.8556 27.6786 152.793 -15.8977 164.288 20.123 PRESSAVG: 4223800 -12.9318 15.8673 1.62842 15.8673 16.701 -33.0581 1.62837 -33.0581 8.62903 GPRESSAVG: 4223800 -13.8536 15.8934 5.68416 17.6512 18.4403 -33.2274 0.16289 -33.629 7.75794 TIMING: 4223800 CPU: 12229.5, 0.00285454/step Wall: 12229.5, 0.00285454/step, 0.615472 hours remaining, 211.125000 MB of memory in use. ENERGY: 4223800 758.7499 2106.5972 1940.1175 116.7582 -206150.6229 17811.5668 0.0000 0.0000 34334.8204 -149082.0129 299.8545 -183416.8333 -148993.2496 299.0870 -1.9348 31.3412 559105.4944 4.1327 4.1149 PRESSURE: 4224000 -195.604 -4.0073 112.398 -4.00648 -259.279 125.233 112.398 125.231 -253.468 GPRESSURE: 4224000 -233.643 -110.109 84.8415 -23.1515 -285.054 113.328 171.301 62.9147 -110.621 PRESSAVG: 4224000 -1.79562 6.12151 -49.9976 6.12145 -26.164 49.6215 -49.9976 49.6214 -27.7119 GPRESSAVG: 4224000 -2.10477 4.44033 -53.5612 4.97686 -27.1133 49.4735 -47.9213 50.2848 -26.7746 TIMING: 4224000 CPU: 12230.1, 0.00286943/step Wall: 12230.1, 0.00286943/step, 0.618523 hours remaining, 211.125000 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: 4224000 783.1900 2089.5824 1965.2452 107.2421 -205716.2465 17524.7951 0.0000 0.0000 34258.7719 -148987.4199 299.1904 -183246.1918 -148886.1489 299.3065 -236.1168 -209.7728 557991.7362 -18.5572 -18.6642 PRESSURE: 4224200 -202.243 128.308 -127.961 128.307 -156.889 -7.10528 -127.962 -7.10353 -22.9818 GPRESSURE: 4224200 -212.857 170.24 -115.763 122.938 -110.333 -48.3003 -89.4576 50.9854 40.7033 PRESSAVG: 4224200 1.35227 10.0253 6.89806 10.0252 46.9618 23.5021 6.89809 23.5021 -27.46 GPRESSAVG: 4224200 1.76985 13.065 6.41246 7.70957 47.7197 21.8355 5.97048 25.1422 -28.9834 TIMING: 4224200 CPU: 12230.6, 0.00286311/step Wall: 12230.6, 0.00286311/step, 0.616999 hours remaining, 211.125000 MB of memory in use. ENERGY: 4224200 733.5791 2054.2837 1955.1521 115.3169 -205441.3691 17584.0953 0.0000 0.0000 34078.9947 -148919.9473 297.6203 -182998.9420 -148828.7187 299.7350 -127.3711 -94.1624 559624.8092 6.9514 6.8354 LDB: ============= START OF LOAD BALANCING ============== 12234 LDB: ============== END OF LOAD BALANCING =============== 12234 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12234 LDB: ============= START OF LOAD BALANCING ============== 12234.3 LDB: Largest compute 4773 load 0.024054 is 20.4% of average load 0.118038 LDB: Average compute 0.001731 is 1.5% of average load 0.118038 LDB: TIME 12234.3 LOAD: AVG 0.118038 MAX 0.180342 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.926 MB LDB: TIME 12234.3 LOAD: AVG 0.118038 MAX 0.180342 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.926 MB LDB: TIME 12234.3 LOAD: AVG 0.118038 MAX 0.180342 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12234.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12234.3 PRESSURE: 4224400 55.5822 133.402 153.725 133.403 63.0018 -57.8529 153.725 -57.8529 -64.3101 GPRESSURE: 4224400 111.963 95.5035 160.199 164.15 48.832 13.102 62.9695 -12.5914 -10.8414 PRESSAVG: 4224400 -16.9659 21.1993 -34.788 21.1992 -0.949241 28.2464 -34.7879 28.2464 31.8442 GPRESSAVG: 4224400 -16.8298 20.4301 -32.0617 23.4417 -1.53513 28.902 -35.2041 28.157 31.4393 TIMING: 4224400 CPU: 12231.2, 0.00293076/step Wall: 12231.2, 0.00293076/step, 0.631416 hours remaining, 211.957031 MB of memory in use. ENERGY: 4224400 735.7808 2062.3356 1947.7960 121.2855 -206200.0267 17932.8860 0.0000 0.0000 34326.2713 -149073.6715 299.7799 -183399.9427 -148976.9196 299.0766 18.0913 49.9847 558375.2436 4.6430 4.3581 PRESSURE: 4224600 7.873 1.67504 68.6401 1.67457 123.266 -20.7723 68.641 -20.7706 85.0587 GPRESSURE: 4224600 12.4932 -52.8519 111.806 52.3575 207.747 15.1598 35.6927 -30.5617 101.311 PRESSAVG: 4224600 51.6134 22.3482 -2.08326 22.3482 -44.1824 9.98328 -2.08334 9.98328 9.15242 GPRESSAVG: 4224600 50.8312 21.9152 -3.24155 21.7364 -44.594 11.554 -2.31961 9.508 10.5489 TIMING: 4224600 CPU: 12231.8, 0.00287996/step Wall: 12231.8, 0.00287996/step, 0.620311 hours remaining, 211.957031 MB of memory in use. ENERGY: 4224600 750.1262 2104.5770 1962.3490 107.0931 -206004.6944 17972.5232 0.0000 0.0000 34052.3537 -149055.6723 297.3877 -183108.0260 -148966.4551 299.7016 72.0660 107.1838 558131.7166 5.5278 5.5954 PRESSURE: 4224800 -385.329 26.9478 -147.039 26.948 -90.4702 156.596 -147.039 156.595 -113.939 GPRESSURE: 4224800 -326.001 64.3547 -181.334 33.2126 -64.3631 176.598 -145.154 170.276 -104.313 PRESSAVG: 4224800 76.8032 5.26363 9.52527 5.26358 -27.6853 38.1034 9.52535 38.1033 -8.84632 GPRESSAVG: 4224800 77.132 5.33538 8.69911 3.78571 -27.7886 36.9436 11.5211 37.1393 -9.14356 TIMING: 4224800 CPU: 12232.4, 0.00285961/step Wall: 12232.4, 0.00285961/step, 0.61577 hours remaining, 211.957031 MB of memory in use. ENERGY: 4224800 722.2910 1998.2727 1941.2556 131.0737 -205404.6040 17420.7131 0.0000 0.0000 34174.8600 -149016.1380 298.4576 -183190.9979 -148911.2190 298.8868 -196.5793 -164.8924 560494.0458 13.4239 13.3999 PRESSURE: 4225000 -267.039 -33.3639 189.789 -33.3635 -168.48 -126.142 189.79 -126.141 -52.4269 GPRESSURE: 4225000 -227.225 -146.09 287.603 73.7784 -184.384 -92.3975 83.2055 -110.781 27.3738 PRESSAVG: 4225000 -33.4274 -12.8399 -16.5109 -12.8398 -46.8819 -12.6747 -16.5109 -12.6747 69.7754 GPRESSAVG: 4225000 -34.4516 -13.4431 -15.1376 -11.6305 -45.8124 -11.6402 -17.9959 -12.4035 69.51 TIMING: 4225000 CPU: 12232.9, 0.00285923/step Wall: 12232.9, 0.00285923/step, 0.615529 hours remaining, 211.957031 MB of memory in use. ENERGY: 4225000 747.6534 2139.9329 1952.4705 110.3175 -205752.3919 17588.0312 0.0000 0.0000 34113.3436 -149100.6427 297.9203 -183213.9863 -149002.3083 299.2620 -162.6484 -128.0783 559357.7471 -3.5113 -3.5847 PRESSURE: 4225200 -43.0343 -26.1421 -22.2409 -26.1409 56.808 85.0235 -22.2406 85.0233 -130.335 GPRESSURE: 4225200 -36.4475 -54.4961 -73.5618 47.7492 125.745 10.4195 -26.9351 140.377 -109.897 PRESSAVG: 4225200 5.37086 -5.99809 -22.5712 -5.99802 -44.4467 -7.11955 -22.5713 -7.11953 57.3325 GPRESSAVG: 4225200 6.75581 -4.04694 -22.7935 -5.88742 -45.926 -7.61693 -21.429 -6.78029 57.5259 TIMING: 4225200 CPU: 12233.5, 0.00288045/step Wall: 12233.5, 0.00288045/step, 0.619937 hours remaining, 211.957031 MB of memory in use. ENERGY: 4225200 776.4827 2060.3683 1954.2464 111.4103 -206080.8326 17920.6249 0.0000 0.0000 34280.8274 -148976.8726 299.3830 -183257.7000 -148881.7869 299.3779 -38.8539 -6.8666 559485.1600 6.0855 6.1186 PRESSURE: 4225400 -22.5985 -111.897 -3.78224 -111.898 386.359 59.3471 -3.78371 59.3478 -130.754 GPRESSURE: 4225400 -4.55767 -129.05 68.7839 -108.841 379.31 154.494 11.8301 27.7373 -33.2589 PRESSAVG: 4225400 23.6673 -17.0344 -36.0271 -17.0343 55.8992 -24.2437 -36.027 -24.2438 -79.5032 GPRESSAVG: 4225400 22.5234 -17.3426 -35.1565 -16.9367 56.1069 -23.8905 -37.0958 -26.5921 -78.6414 TIMING: 4225400 CPU: 12234.1, 0.0028755/step Wall: 12234.1, 0.0028755/step, 0.618713 hours remaining, 211.957031 MB of memory in use. ENERGY: 4225400 774.7750 2083.4749 1970.2407 116.4631 -206282.5127 18011.2325 0.0000 0.0000 34190.4501 -149135.8765 298.5937 -183326.3265 -149040.7275 299.7227 77.6689 113.8310 558867.5892 0.0211 -0.0037 PRESSURE: 4225600 122.993 -85.2394 -18.8702 -85.238 59.7919 -5.00105 -18.8702 -5.00066 -129.813 GPRESSURE: 4225600 166.117 -97.2534 31.8348 -49.2047 82.6682 -3.9411 39.2548 83.3615 -93.4875 PRESSAVG: 4225600 21.5633 -15.9287 -51.4567 -15.9287 21.0589 -13.4615 -51.4567 -13.4615 -35.9725 GPRESSAVG: 4225600 22.663 -19.5257 -51.0907 -16.3083 21.5538 -13.6489 -49.033 -12.2862 -37.5089 TIMING: 4225600 CPU: 12234.7, 0.00286677/step Wall: 12234.7, 0.00286677/step, 0.616674 hours remaining, 211.957031 MB of memory in use. ENERGY: 4225600 746.6701 2090.2515 1958.5153 111.4253 -206420.1053 17867.3539 0.0000 0.0000 34511.7204 -149134.1689 301.3994 -183645.8892 -149032.2326 299.5753 17.6572 51.7660 559203.1544 2.2166 2.2359 PRESSURE: 4225800 123.141 -158.773 -214.025 -158.773 -250.201 46.982 -214.025 46.9825 -135.939 GPRESSURE: 4225800 151.677 -217.9 -184.748 -42.9801 -214.974 119.272 -171.795 -15.1796 -98.3199 PRESSAVG: 4225800 5.40209 -50.9735 13.1068 -50.9735 8.69899 -35.8497 13.1067 -35.8497 -52.1782 GPRESSAVG: 4225800 4.76349 -46.8667 10.9105 -51.6907 9.48956 -36.5855 12.0241 -33.9437 -52.4116 TIMING: 4225800 CPU: 12235.2, 0.00284567/step Wall: 12235.2, 0.00284567/step, 0.611977 hours remaining, 211.957031 MB of memory in use. ENERGY: 4225800 768.3203 2127.7064 1960.6403 119.1586 -206023.4772 17811.4139 0.0000 0.0000 34282.9906 -148953.2472 299.4019 -183236.2378 -148860.6706 298.9379 -87.6663 -53.8723 558944.1724 -12.6924 -12.7195 PRESSURE: 4226000 -51.9147 -33.6793 10.061 -33.6775 -232.661 -203.826 10.0609 -203.829 123.541 GPRESSURE: 4226000 -40.0022 -82.9485 22.2309 -43.0178 -185.275 -117.115 -25.444 -181.425 163.111 PRESSAVG: 4226000 13.0803 -73.4094 -29.9596 -73.4094 20.4862 -10.6987 -29.9596 -10.6988 -21.5331 GPRESSAVG: 4226000 12.9736 -74.5583 -28.4174 -74.9629 20.1124 -10.6051 -30.6414 -11.0739 -21.4208 TIMING: 4226000 CPU: 12235.8, 0.00286384/step Wall: 12235.8, 0.00286384/step, 0.615725 hours remaining, 211.957031 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: 4226000 753.9416 2057.8297 1947.0763 113.4670 -205954.3359 17752.1603 0.0000 0.0000 34241.1428 -149088.7183 299.0364 -183329.8611 -148989.2066 299.2352 -53.6781 -20.7220 556895.3697 4.0111 3.8884 PRESSURE: 4226200 -63.1353 48.3441 29.2301 48.3441 4.09505 -69.4057 29.23 -69.4072 -60.842 GPRESSURE: 4226200 -10.2598 20.8782 -77.4264 -8.62642 23.1303 -80.3935 18.6258 -76.1583 -28.2052 PRESSAVG: 4226200 1.55595 10.267 18.6841 10.267 38.0781 -38.1483 18.6841 -38.1484 6.64128 GPRESSAVG: 4226200 1.4981 10.4828 19.0446 11.871 37.5122 -37.534 16.4292 -37.425 7.26063 TIMING: 4226200 CPU: 12236.4, 0.00288741/step Wall: 12236.4, 0.00288741/step, 0.620633 hours remaining, 211.957031 MB of memory in use. ENERGY: 4226200 747.5568 2061.4173 1955.4133 122.5306 -206106.4609 17758.6730 0.0000 0.0000 34302.9829 -149157.8870 299.5765 -183460.8699 -149062.2485 299.1626 -39.9608 -5.1116 557655.0970 15.4251 15.4236 PRESSURE: 4226400 6.46775 -84.5649 71.3734 -84.5648 312.977 270.314 71.3733 270.314 -80.1311 GPRESSURE: 4226400 15.2217 -94.1939 93.9961 -135.232 286.791 233.539 83.6712 330.124 37.359 PRESSAVG: 4226400 -7.38089 -9.50773 -21.2984 -9.50768 73.9064 34.2385 -21.2984 34.2384 -27.5121 GPRESSAVG: 4226400 -8.30835 -8.82877 -22.0168 -11.4054 74.7163 35 -19.5737 31.8864 -27.2827 TIMING: 4226400 CPU: 12237, 0.00288861/step Wall: 12237, 0.00288861/step, 0.620731 hours remaining, 211.957031 MB of memory in use. ENERGY: 4226400 729.3934 2125.7969 1954.8808 104.7905 -206535.2821 18145.8138 0.0000 0.0000 34264.2100 -149210.3967 299.2379 -183474.6067 -149109.0394 299.5279 79.7713 113.1240 556035.8386 13.0045 13.0418 PRESSURE: 4226600 -201.888 76.6038 12.7363 76.6037 21.2351 -106.632 12.7387 -106.633 112.525 GPRESSURE: 4226600 -219.378 119.453 88.8349 115.217 105.411 -154.176 -41.4839 -43.345 149.515 PRESSAVG: 4226600 -39.6761 -51.8054 18.6823 -51.8054 21.4558 -6.70962 18.6823 -6.70975 12.6835 GPRESSAVG: 4226600 -39.6221 -54.6955 20.1769 -49.8785 20.7286 -8.37022 17.9249 -6.32056 13.1562 TIMING: 4226600 CPU: 12237.5, 0.00288443/step Wall: 12237.5, 0.00288443/step, 0.619672 hours remaining, 211.957031 MB of memory in use. ENERGY: 4226600 755.5355 2029.4224 1975.3018 114.4492 -206283.1025 17769.2584 0.0000 0.0000 34527.6451 -149111.4901 301.5385 -183639.1352 -149010.6903 299.6572 -22.7092 11.8494 556716.7095 -1.8456 -1.9124 PRESSURE: 4226800 49.3476 -141.332 33.4913 -141.332 47.862 22.9371 33.4917 22.9374 -26.4394 GPRESSURE: 4226800 106.741 -128.931 110.062 -89.4931 74.4189 -59.2563 25.6721 -16.2971 -0.871629 PRESSAVG: 4226800 -67.6415 -13.6293 -31.022 -13.6292 67.2021 -25.3693 -31.0221 -25.3694 -12.2642 GPRESSAVG: 4226800 -66.8122 -13.1212 -31.6925 -14.0026 67.183 -24.972 -30.3095 -24.8675 -12.8122 TIMING: 4226800 CPU: 12238.1, 0.00287454/step Wall: 12238.1, 0.00287454/step, 0.617386 hours remaining, 211.957031 MB of memory in use. ENERGY: 4226800 734.9948 2101.1943 1947.5683 106.2184 -206064.1719 17742.4596 0.0000 0.0000 34089.3511 -149342.3854 297.7108 -183431.7364 -149247.9022 299.2858 23.5901 60.0960 557418.0693 -4.2345 -4.1471 PRESSURE: 4227000 -81.4845 -147.451 86.7729 -147.45 -115.568 23.2473 86.7741 23.248 -202.433 GPRESSURE: 4227000 -49.137 -127.312 109.388 -127.518 -63.0153 51.5454 47.8286 -47.8046 -182.642 PRESSAVG: 4227000 -39.5006 13.5425 21.9894 13.5426 26.7455 -19.0913 21.9895 -19.0913 -25.3913 GPRESSAVG: 4227000 -38.6318 13.6218 19.1135 12.454 26.5689 -20.7707 24.0259 -18.5993 -26.4272 TIMING: 4227000 CPU: 12238.7, 0.00287573/step Wall: 12238.7, 0.00287573/step, 0.617483 hours remaining, 211.957031 MB of memory in use. ENERGY: 4227000 769.0281 2078.1018 1978.2559 106.6654 -205935.3937 17588.4400 0.0000 0.0000 34116.2234 -149298.6792 297.9455 -183414.9026 -149210.1169 298.0663 -133.1619 -98.2646 557547.0443 -12.7155 -12.8300 PRESSURE: 4227200 -88.9508 -25.2196 -9.6589 -25.2198 -24.3509 12.3158 -9.65837 12.3174 -188.536 GPRESSURE: 4227200 -69.8906 55.1042 -54.4978 -74.4944 -11.5422 -59.225 -36.382 35.7723 -131.191 PRESSAVG: 4227200 -55.4186 21.0184 83.6425 21.0183 48.1993 -35.2361 83.6426 -35.236 16.0677 GPRESSAVG: 4227200 -54.892 21.0509 84.8411 21.8449 47.8179 -32.3131 83.6266 -36.3663 16.3931 TIMING: 4227200 CPU: 12239.3, 0.00286744/step Wall: 12239.3, 0.00286744/step, 0.615544 hours remaining, 211.957031 MB of memory in use. ENERGY: 4227200 787.1170 2108.2896 1959.0096 109.9371 -205883.5980 17652.6557 0.0000 0.0000 34140.3411 -149126.2479 298.1561 -183266.5891 -149034.3857 299.2582 -100.6127 -70.8746 557325.3864 2.9495 3.1063 PRESSURE: 4227400 -48.4564 -28.4717 35.5503 -28.4715 -208.809 -108.763 35.5503 -108.762 -121.497 GPRESSURE: 4227400 30.5108 -8.61798 4.05019 19.7103 -166.259 -122.812 68.2102 -151.901 -148.881 PRESSAVG: 4227400 19.0324 0.90933 21.8959 0.90938 41.9157 -26.4367 21.8958 -26.4367 5.91886 GPRESSAVG: 4227400 18.5058 -0.418226 21.2038 1.90164 42.3628 -26.9585 21.3778 -26.1618 5.82738 TIMING: 4227400 CPU: 12239.8, 0.00288515/step Wall: 12239.8, 0.00288515/step, 0.619185 hours remaining, 211.957031 MB of memory in use. ENERGY: 4227400 725.4747 2147.3035 1983.0396 122.7242 -205599.6130 17434.8883 0.0000 0.0000 34145.0751 -149041.1077 298.1974 -183186.1828 -148947.2931 299.4142 -126.2541 -94.8762 558140.8801 22.2890 22.2320 PRESSURE: 4227600 -395.147 45.8164 -113.953 45.8161 -243.518 -93.1495 -113.953 -93.1501 -91.6768 GPRESSURE: 4227600 -382.682 72.2097 -128.523 -16.0526 -195.768 -214.927 -108.837 -72.55 -41.8044 PRESSAVG: 4227600 74.1638 64.3263 7.08883 64.3263 -54.2207 -38.9236 7.08887 -38.9236 10.5105 GPRESSAVG: 4227600 73.6558 64.2936 6.95829 64.7327 -53.5914 -40.1296 7.74659 -38.1969 10.4102 TIMING: 4227600 CPU: 12240.4, 0.00289268/step Wall: 12240.4, 0.00289268/step, 0.620641 hours remaining, 211.957031 MB of memory in use. ENERGY: 4227600 779.0272 2080.1234 1931.9382 126.0734 -205841.8022 17641.6796 0.0000 0.0000 34369.2064 -148913.7539 300.1548 -183282.9603 -148823.1333 299.7367 -243.4474 -206.7515 559537.8810 10.1512 10.1582 PRESSURE: 4227800 -73.7702 83.2049 -161.151 83.2051 94.2226 42.3753 -161.153 42.3749 42.6453 GPRESSURE: 4227800 -48.9358 161.608 -100.104 115.035 88.84 -12.8082 -138.041 38.99 110.234 PRESSAVG: 4227800 16.1933 12.2092 -1.53433 12.2092 34.0558 -46.0529 -1.53433 -46.0529 -20.035 GPRESSAVG: 4227800 16.4063 13.8308 0.170356 12.5362 33.8128 -44.0981 -2.0996 -47.8044 -20.0958 TIMING: 4227800 CPU: 12241, 0.00286656/step Wall: 12241, 0.00286656/step, 0.614876 hours remaining, 211.957031 MB of memory in use. ENERGY: 4227800 713.2636 2144.6148 1938.4492 117.7944 -205884.2057 17759.0612 0.0000 0.0000 34214.6500 -148996.3726 298.8050 -183211.0226 -148897.3345 300.1597 21.0326 50.0460 560163.0230 10.0714 10.0411 PRESSURE: 4228000 88.5552 -78.5041 -49.123 -78.5037 -129.039 -138.155 -49.1222 -138.155 -9.52444 GPRESSURE: 4228000 118.323 23.2358 -60.3698 -24.3201 -79.4681 -229.411 -62.1047 -108.87 12.3353 PRESSAVG: 4228000 34.4655 40.9155 -26.6939 40.9155 61.1321 -56.4856 -26.6939 -56.4856 -75.4182 GPRESSAVG: 4228000 33.8807 40.3358 -28.089 41.2611 62.8283 -58.4593 -27.8272 -56.1882 -76.2493 TIMING: 4228000 CPU: 12241.6, 0.00284394/step Wall: 12241.6, 0.00284394/step, 0.609867 hours remaining, 211.957031 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: 4228000 766.2853 2102.9476 1967.2779 111.6702 -206104.8809 17794.3297 0.0000 0.0000 34229.9209 -149132.4492 298.9384 -183362.3700 -149039.0802 299.3289 -16.6696 17.0633 557611.1984 6.7264 6.8199 PRESSURE: 4228200 -61.2109 -2.66572 195.851 -2.66706 11.0185 65.7371 195.849 65.7378 -231.708 GPRESSURE: 4228200 -24.4279 -28.7776 201.319 -15.7001 61.3688 -12.3463 138.855 42.733 -224.812 PRESSAVG: 4228200 18.7887 47.7775 -53.2151 47.7774 -28.1023 -36.8882 -53.215 -36.8882 42.8294 GPRESSAVG: 4228200 20.585 47.0136 -53.0763 48.4476 -30.2654 -37.3288 -52.7495 -35.6589 43.1031 TIMING: 4228200 CPU: 12242.1, 0.00287154/step Wall: 12242.1, 0.00287154/step, 0.615627 hours remaining, 211.957031 MB of memory in use. ENERGY: 4228200 796.7935 2115.2676 1956.6215 126.7835 -206297.0153 17713.9452 0.0000 0.0000 34455.4579 -149132.1460 300.9081 -183587.6039 -149033.7577 299.2854 -93.9669 -62.6237 557189.2602 11.1720 11.1409 LDB: ============= START OF LOAD BALANCING ============== 12245.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12245.5 LDB: =============== DONE WITH MIGRATION ================ 12245.5 LDB: ============= START OF LOAD BALANCING ============== 12245.8 LDB: Largest compute 4773 load 0.023064 is 19.5% of average load 0.118001 LDB: Average compute 0.001723 is 1.5% of average load 0.118001 LDB: TIME 12245.8 LOAD: AVG 0.118001 MAX 0.180125 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.211 MB LDB: TIME 12245.8 LOAD: AVG 0.118001 MAX 0.180125 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.281 MB LDB: TIME 12245.8 LOAD: AVG 0.118001 MAX 0.180125 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12245.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12245.8 PRESSURE: 4228400 195.492 29.3561 -122.054 29.3557 -152.208 -100.235 -122.056 -100.234 164.558 GPRESSURE: 4228400 184.695 67.5471 -98.1917 -28.5506 -33.476 -130.011 -108.26 -64.5268 156.82 PRESSAVG: 4228400 36.3832 -2.28401 -48.6823 -2.28405 -23.3858 -51.7213 -48.6823 -51.7212 -14.9568 GPRESSAVG: 4228400 35.1382 -3.94073 -47.2199 -2.50922 -23.0008 -52.1479 -49.1404 -51.3805 -14.0997 TIMING: 4228400 CPU: 12242.7, 0.00293883/step Wall: 12242.7, 0.00293883/step, 0.629889 hours remaining, 211.437500 MB of memory in use. ENERGY: 4228400 763.0155 2104.4044 1979.5761 119.4665 -206296.5271 17932.5095 0.0000 0.0000 34174.4033 -149223.1519 298.4536 -183397.5551 -149131.8206 299.0545 69.2803 102.6795 555823.6103 -0.6531 -0.6541 PRESSURE: 4228600 -276.542 27.1795 24.8929 27.1783 -434.339 126.705 24.8917 126.704 -43.6315 GPRESSURE: 4228600 -215.71 48.6272 51.1686 12.1742 -367.141 2.46177 56.2184 115.101 -61.6216 PRESSAVG: 4228600 -70.6292 64.1593 -79.1462 64.1593 15.8369 -10.2342 -79.1463 -10.2342 21.0114 GPRESSAVG: 4228600 -69.7672 65.8457 -79.7608 63.7088 16.3616 -8.98787 -79.2898 -13.2321 19.712 TIMING: 4228600 CPU: 12243.3, 0.00289379/step Wall: 12243.3, 0.00289379/step, 0.620075 hours remaining, 211.640625 MB of memory in use. ENERGY: 4228600 757.2772 2111.6965 1964.9172 109.0072 -205964.3329 17440.5108 0.0000 0.0000 34383.0128 -149197.9112 300.2754 -183580.9240 -149096.6003 299.5035 -251.5042 -214.8244 556198.4294 -11.2603 -11.2312 PRESSURE: 4228800 -242.873 101.463 -186.418 101.463 -71.3431 -73.0924 -186.417 -73.0917 37.1778 GPRESSURE: 4228800 -160.296 -4.06096 -109.053 169.813 -88.0017 -102.341 -172.806 26.9843 78.6117 PRESSAVG: 4228800 14.3139 45.5045 -74.4527 45.5044 9.47876 -28.1145 -74.4526 -28.1145 -44.1731 GPRESSAVG: 4228800 12.8988 45.7535 -75.2819 44.6554 9.00314 -26.0593 -73.0118 -27.8921 -42.5882 TIMING: 4228800 CPU: 12243.9, 0.00287366/step Wall: 12243.9, 0.00287366/step, 0.615603 hours remaining, 211.640625 MB of memory in use. ENERGY: 4228800 762.2838 2054.6106 1971.0793 117.8399 -206215.7751 17667.4441 0.0000 0.0000 34489.1507 -149153.3666 301.2023 -183642.5173 -149059.0293 300.1330 -92.3460 -56.5619 555924.0977 -6.7935 -6.8954 PRESSURE: 4229000 -14.4756 83.4964 -86.1984 83.4972 165.723 98.9712 -86.1992 98.9712 -225.163 GPRESSURE: 4229000 -32.2192 121.989 -24.5221 14.3038 203.167 88.0589 -105.12 32.3424 -136.043 PRESSAVG: 4229000 -48.2135 -29.6732 -7.39096 -29.6732 64.4483 -15.6306 -7.39101 -15.6305 -35.4708 GPRESSAVG: 4229000 -48.1127 -28.9016 -8.43065 -30.9004 65.427 -19.0581 -6.82753 -12.755 -36.5279 TIMING: 4229000 CPU: 12244.5, 0.00285847/step Wall: 12244.5, 0.00285847/step, 0.612188 hours remaining, 211.640625 MB of memory in use. ENERGY: 4229000 756.0160 2104.3727 1936.9554 125.5277 -206564.5608 17948.5676 0.0000 0.0000 34559.2233 -149133.8982 301.8143 -183693.1215 -149034.9048 299.8212 -24.6385 11.6348 558174.8648 -6.4120 -6.4045 PRESSURE: 4229200 -155.785 158.904 -52.681 158.904 -173.509 -91.0613 -52.6813 -91.0607 279.2 GPRESSURE: 4229200 -138.039 171.066 -50.4942 163.266 -94.5769 -6.69425 -68.0953 -199.63 266.529 PRESSAVG: 4229200 18.607 40.2254 31.269 40.2253 2.14362 2.54275 31.2689 2.54293 -24.4345 GPRESSAVG: 4229200 18.8801 38.1791 33.1552 43.364 1.3253 5.97052 30.33 0.430995 -24.1364 TIMING: 4229200 CPU: 12245, 0.00287403/step Wall: 12245, 0.00287403/step, 0.615361 hours remaining, 211.640625 MB of memory in use. ENERGY: 4229200 719.9171 2065.3591 1940.1261 122.4371 -205806.3654 17582.0373 0.0000 0.0000 34302.6353 -149073.8535 299.5734 -183376.4887 -148978.2613 299.6134 -16.6983 11.3044 557825.8866 -1.2280 -1.3103 PRESSURE: 4229400 -173.022 25.7031 109.059 25.7041 -89.323 -133.45 109.059 -133.45 -453.471 GPRESSURE: 4229400 -149.596 71.0364 -35.2115 -39.5595 -62.6348 -93.1642 172.401 -95.9627 -410.916 PRESSAVG: 4229400 50.0537 33.5688 38.0795 33.5687 29.489 -43.0909 38.0795 -43.0911 -55.5536 GPRESSAVG: 4229400 49.1656 35.4076 36.4783 31.6639 30.154 -45.5001 37.7499 -41.6481 -56.0022 TIMING: 4229400 CPU: 12245.6, 0.00288803/step Wall: 12245.6, 0.00288803/step, 0.618199 hours remaining, 211.640625 MB of memory in use. ENERGY: 4229400 754.5452 2120.7345 1957.4678 119.8265 -205652.4752 17403.4211 0.0000 0.0000 34212.5192 -149083.9610 298.7864 -183296.4802 -148983.0366 299.4759 -238.6053 -207.7156 558456.3614 7.9964 7.7725 PRESSURE: 4229600 -180.25 1.93302 -82.6704 1.93285 -223.962 -197.509 -82.6712 -197.508 -174.229 GPRESSURE: 4229600 -130.468 25.6766 -125.558 -106.459 -199.338 -238.043 -69.5103 -210.051 -133.94 PRESSAVG: 4229600 69.2478 -22.8597 13.5155 -22.8597 -38.2893 -52.5378 13.5155 -52.5378 -54.9877 GPRESSAVG: 4229600 68.8158 -26.6381 14.347 -23.8119 -38.9276 -51.6407 14.359 -54.2248 -53.7708 TIMING: 4229600 CPU: 12246.2, 0.00292807/step Wall: 12246.2, 0.00292807/step, 0.626608 hours remaining, 211.640625 MB of memory in use. ENERGY: 4229600 810.4249 2043.6928 1952.8770 108.6416 -206134.9253 17782.9048 0.0000 0.0000 34322.6850 -149113.6993 299.7485 -183436.3842 -149018.9330 299.3124 -192.8134 -154.5819 559093.4277 -8.0097 -7.9609 PRESSURE: 4229800 28.2477 -5.25733 -95.6624 -5.25697 47.2732 99.2137 -95.6621 99.2141 -20.8862 GPRESSURE: 4229800 36.9095 2.41731 10.8432 91.9446 62.6423 95.8359 -87.6076 112.819 62.3858 PRESSAVG: 4229800 26.2007 9.18236 -17.0032 9.18238 18.9625 -38.5131 -17.0032 -38.5132 -46.8862 GPRESSAVG: 4229800 25.8843 10.4603 -17.9582 10.7516 18.8311 -37.4831 -16.8874 -36.107 -46.4768 TIMING: 4229800 CPU: 12246.8, 0.00289268/step Wall: 12246.8, 0.00289268/step, 0.618873 hours remaining, 211.640625 MB of memory in use. ENERGY: 4229800 752.4255 2043.3917 1943.1747 115.4861 -205664.0072 17764.4858 0.0000 0.0000 34187.3457 -148857.6976 298.5666 -183045.0434 -148761.7993 299.6229 18.2115 53.9792 558555.8054 -0.5744 -0.5871 PRESSURE: 4230000 -117.833 29.8847 44.716 29.8839 -194.764 118.922 44.7165 118.922 -261.737 GPRESSURE: 4230000 -74.2515 81.5625 27.8109 -32.3068 -152.684 82.7839 55.417 112.93 -249.92 PRESSAVG: 4230000 0.792964 -42.142 -10.1904 -42.1421 70.2162 42.269 -10.1905 42.269 -53.3389 GPRESSAVG: 4230000 1.60745 -41.842 -9.14519 -43.8052 70.4522 37.9904 -11.7593 43.702 -54.2184 TIMING: 4230000 CPU: 12247.4, 0.00289741/step Wall: 12247.4, 0.00289741/step, 0.619723 hours remaining, 211.640625 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: 4230000 772.2815 2063.2842 1931.9327 118.5388 -205753.3877 17566.1068 0.0000 0.0000 34347.7550 -148953.4887 299.9675 -183301.2437 -148859.3350 300.1323 -191.4447 -158.9519 557304.8399 5.8901 5.9471 PRESSURE: 4230200 253.8 -16.5449 -64.5363 -16.5455 230.747 31.9906 -64.5354 31.9924 93.2622 GPRESSURE: 4230200 279.556 -7.64656 -9.043 7.72654 270.767 65.6271 -25.2812 -1.61046 130.201 PRESSAVG: 4230200 -14.7247 35.1524 -16.7137 35.1525 34.6723 16.0746 -16.7138 16.0746 17.4829 GPRESSAVG: 4230200 -14.1618 34.6994 -16.3384 35.7539 34.6934 17.7663 -16.7848 13.6428 17.1376 TIMING: 4230200 CPU: 12247.9, 0.00288823/step Wall: 12247.9, 0.00288823/step, 0.6176 hours remaining, 211.640625 MB of memory in use. ENERGY: 4230200 740.9917 2070.3499 1960.2630 119.7503 -206023.7368 17999.2346 0.0000 0.0000 34307.9602 -148825.1870 299.6199 -183133.1472 -148726.0205 300.7407 192.6028 226.8414 556288.4133 12.4768 12.5564 PRESSURE: 4230400 87.6559 143.933 -62.8736 143.933 -220.899 -59.77 -62.8743 -59.7709 99.0473 GPRESSURE: 4230400 59.3322 165.485 -75.8338 59.3878 -149.271 -71.6155 -14.3736 -30.9307 152.745 PRESSAVG: 4230400 -65.0242 8.94697 -53.4457 8.94696 15.5113 -46.5264 -53.4457 -46.5264 21.3138 GPRESSAVG: 4230400 -64.9985 9.79669 -53.8899 9.95571 16.4951 -45.7807 -53.7408 -45.2213 20.0868 TIMING: 4230400 CPU: 12248.5, 0.00289393/step Wall: 12248.5, 0.00289393/step, 0.618658 hours remaining, 211.640625 MB of memory in use. ENERGY: 4230400 765.6172 2161.7318 1948.4934 132.6460 -206211.0285 17761.6211 0.0000 0.0000 34565.8717 -148875.0474 301.8724 -183440.9191 -148780.1356 300.7195 -11.3986 20.9352 556779.0200 -9.3997 -9.4722 PRESSURE: 4230600 -82.0563 -45.2783 51.7181 -45.2797 -75.1127 40.7012 51.7171 40.7003 -198.618 GPRESSURE: 4230600 -25.3526 -55.1083 119.746 -48.6247 -25.6885 80.0596 9.18562 -7.03671 -208.642 PRESSAVG: 4230600 35.3221 -4.01449 -41.0652 -4.01447 13.1251 -21.6539 -41.0652 -21.6539 22.7913 GPRESSAVG: 4230600 33.8934 -0.625743 -41.772 -6.32139 12.8743 -20.3997 -41.5905 -24.3012 23.7861 TIMING: 4230600 CPU: 12249.1, 0.00288113/step Wall: 12249.1, 0.00288113/step, 0.615762 hours remaining, 211.839844 MB of memory in use. ENERGY: 4230600 740.2959 2147.1947 1948.7739 108.3687 -206112.1784 17726.9170 0.0000 0.0000 34315.9715 -149124.6568 299.6899 -183440.6283 -149022.1181 300.4863 -118.5955 -86.5610 558274.0949 23.7462 23.5179 PRESSURE: 4230800 -44.7854 -120.228 -6.29265 -120.229 -14.9145 -29.2077 -6.29301 -29.2082 211.507 GPRESSURE: 4230800 15.7979 -53.1714 -99.1171 -127.563 52.9457 -72.0871 20.4809 67.3101 186.39 PRESSAVG: 4230800 18.0521 -50.1013 -17.0521 -50.1013 -57.5286 65.0529 -17.0521 65.0529 37.4103 GPRESSAVG: 4230800 18.0171 -52.0499 -17.0599 -49.5848 -58.1264 61.473 -16.5338 68.144 37.8822 TIMING: 4230800 CPU: 12249.7, 0.00287285/step Wall: 12249.7, 0.00287285/step, 0.613832 hours remaining, 211.839844 MB of memory in use. ENERGY: 4230800 761.3309 2110.4230 1958.4927 115.0243 -206073.3534 17698.7899 0.0000 0.0000 34173.4060 -149255.8867 298.4449 -183429.2927 -149157.6697 299.1652 50.6024 85.0446 557616.3226 -0.6887 -0.7423 PRESSURE: 4231000 218.123 -68.091 -95.1971 -68.0903 -73.5995 -140.734 -95.1984 -140.735 94.99 GPRESSURE: 4231000 297.614 -13.9528 -59.8643 -177.041 -24.6338 -106.806 -95.414 -113.285 52.1853 PRESSAVG: 4231000 23.5307 72.9619 7.51874 72.9619 -77.2706 -14.0262 7.51878 -14.0263 -15.2121 GPRESSAVG: 4231000 23.4751 74.9429 7.65558 71.7697 -78.2121 -11.6657 7.45976 -14.6555 -14.3652 TIMING: 4231000 CPU: 12250.2, 0.00286902/step Wall: 12250.2, 0.00286902/step, 0.612854 hours remaining, 211.839844 MB of memory in use. ENERGY: 4231000 752.4709 2091.1843 1953.6793 117.4621 -206521.5133 17891.8256 0.0000 0.0000 34399.2074 -149315.6837 300.4168 -183714.8911 -149223.1423 299.8910 79.8380 108.3884 557495.7461 -22.9840 -23.0340 PRESSURE: 4231200 -172.461 1.69675 -112.03 1.69576 48.7135 41.351 -112.03 41.3501 -130.292 GPRESSURE: 4231200 -145.709 -11.7552 -149.796 25.2056 105.751 16.2288 -131.433 50.3851 -124.491 PRESSAVG: 4231200 57.7416 26.3687 -22.4468 26.3689 -75.4047 -25.831 -22.4468 -25.8309 -7.92431 GPRESSAVG: 4231200 57.4828 22.4392 -21.7548 28.1 -73.8901 -26.454 -22.1708 -27.7626 -9.18802 TIMING: 4231200 CPU: 12250.8, 0.0028668/step Wall: 12250.8, 0.0028668/step, 0.61222 hours remaining, 211.839844 MB of memory in use. ENERGY: 4231200 763.9518 2101.0972 1974.9429 124.4989 -206155.4220 17725.4936 0.0000 0.0000 34247.6673 -149217.7702 299.0934 -183465.4375 -149117.4598 299.1025 -84.6800 -54.8161 557622.3829 -8.5291 -8.5318 PRESSURE: 4231400 -54.09 102.64 109.843 102.641 -58.7865 -57.8507 109.843 -57.8494 38.7388 GPRESSURE: 4231400 -58.3334 113.619 99.7333 118.692 -18.0371 -75.4153 136.065 18.5682 107.968 PRESSAVG: 4231400 -10.8786 9.73139 8.6929 9.73136 -5.73351 -0.00120965 8.69291 -0.00125083 47.9408 GPRESSAVG: 4231400 -11.2672 10.2664 9.7683 9.40493 -6.34246 0.474976 7.25186 1.3207 48.6373 TIMING: 4231400 CPU: 12251.4, 0.00285712/step Wall: 12251.4, 0.00285712/step, 0.609995 hours remaining, 211.839844 MB of memory in use. ENERGY: 4231400 715.4017 2095.3904 1961.6053 111.1706 -206245.5628 17794.2268 0.0000 0.0000 34507.6659 -149060.1020 301.3640 -183567.7680 -148962.7925 299.5574 -24.7126 10.5326 558378.3635 10.4429 10.3425 PRESSURE: 4231600 37.0032 256.487 -76.6564 256.488 -54.3608 55.384 -76.6582 55.3836 -136.911 GPRESSURE: 4231600 77.8271 253.875 -63.0853 237.998 42.4953 35.1961 -106.189 98.1321 -176.509 PRESSAVG: 4231600 -57.5187 21.741 19.8928 21.741 48.436 -45.6701 19.8929 -45.6702 -0.496748 GPRESSAVG: 4231600 -56.823 23.5434 16.233 20.9557 48.0122 -46.0694 23.707 -45.4262 -1.27764 TIMING: 4231600 CPU: 12252, 0.00286293/step Wall: 12252, 0.00286293/step, 0.611077 hours remaining, 211.839844 MB of memory in use. ENERGY: 4231600 775.3166 2095.7418 1967.0331 123.2235 -206160.7261 17703.3714 0.0000 0.0000 34417.7343 -149078.3054 300.5786 -183496.0397 -148975.2879 300.1724 -51.4228 -18.7288 557149.8830 -3.1931 -3.3628 PRESSURE: 4231800 163.146 -101.8 19.0967 -101.799 -87.0029 122.853 19.0972 122.852 -43.0645 GPRESSURE: 4231800 158.092 -137.432 31.1461 -96.723 -80.6081 111.657 -23.0864 143.896 51.8082 PRESSAVG: 4231800 16.5977 47.2356 28.5936 47.2356 -11.6768 -27.8007 28.5937 -27.8008 19.6455 GPRESSAVG: 4231800 15.771 47.5137 30.1827 47.9154 -12.2278 -27.5565 26.574 -29.1473 20.76 TIMING: 4231800 CPU: 12252.5, 0.00287042/step Wall: 12252.5, 0.00287043/step, 0.612517 hours remaining, 211.839844 MB of memory in use. ENERGY: 4231800 743.8787 2147.4167 1952.7851 121.3323 -206270.4133 17677.9847 0.0000 0.0000 34557.8251 -149069.1907 301.8021 -183627.0158 -148968.2568 300.5555 11.0262 43.0974 555488.8545 8.1888 8.1011 PRESSURE: 4232000 -120.711 -116.363 50.6676 -116.361 -207.187 -30.2169 50.6676 -30.2149 146.547 GPRESSURE: 4232000 -60.9405 -108.481 138.73 -160.63 -146.433 -18.5948 29.3287 23.8611 136.654 PRESSAVG: 4232000 28.4395 17.9346 -15.2862 17.9346 -22.0873 -15.8524 -15.2862 -15.8523 21.0591 GPRESSAVG: 4232000 28.808 17.2741 -14.2102 16.6017 -21.9117 -14.8996 -16.7807 -15.6944 20.6003 TIMING: 4232000 CPU: 12253.1, 0.00289551/step Wall: 12253.1, 0.00289551/step, 0.617708 hours remaining, 211.839844 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: 4232000 725.0074 2173.0842 1955.3211 121.5356 -206100.1890 17708.2531 0.0000 0.0000 34333.3333 -149083.6543 299.8415 -183416.9876 -148981.5966 300.5024 -60.4500 -23.5731 556687.3630 9.1371 9.1655 PRESSURE: 4232200 -76.1094 -19.8029 -48.4934 -19.8032 1.12067 36.8878 -48.4924 36.8893 42.97 GPRESSURE: 4232200 -34.417 31.2395 -31.7727 -12.1762 -6.03076 71.7481 -86.7783 -26.4401 110.087 PRESSAVG: 4232200 44.8549 -23.9547 -16.424 -23.9547 -46.4689 -25.2535 -16.4239 -25.2534 -41.11 GPRESSAVG: 4232200 46.0341 -23.4972 -17.1999 -22.061 -46.7376 -26.3784 -15.769 -23.2619 -42.1867 TIMING: 4232200 CPU: 12253.7, 0.00286613/step Wall: 12253.7, 0.00286613/step, 0.611281 hours remaining, 211.839844 MB of memory in use. ENERGY: 4232200 772.2139 2077.2198 1976.9492 114.8657 -206087.4767 17857.5849 0.0000 0.0000 34202.8949 -149085.7482 298.7024 -183288.6432 -148993.1102 299.9207 -10.6729 23.2130 557850.8566 -14.2413 -14.2967 LDB: ============= START OF LOAD BALANCING ============== 12257.1 LDB: ============== END OF LOAD BALANCING =============== 12257.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12257.1 LDB: ============= START OF LOAD BALANCING ============== 12257.3 LDB: Largest compute 4794 load 0.022882 is 19.4% of average load 0.118071 LDB: Average compute 0.001727 is 1.5% of average load 0.118071 LDB: TIME 12257.4 LOAD: AVG 0.118071 MAX 0.180558 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.125 MB LDB: TIME 12257.4 LOAD: AVG 0.118071 MAX 0.180558 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: TIME 12257.4 LOAD: AVG 0.118071 MAX 0.180558 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: ============== END OF LOAD BALANCING =============== 12257.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12257.4 PRESSURE: 4232400 98.2665 -61.6157 10.9519 -61.6148 50.13 -187.356 10.951 -187.357 224.632 GPRESSURE: 4232400 171.124 -115.26 -13.6497 -21.2003 113.001 -178.244 73.216 -93.6729 182.474 PRESSAVG: 4232400 -3.65555 41.5117 15.3102 41.5116 -12.5548 7.90735 15.3103 7.90733 3.50117 GPRESSAVG: 4232400 -5.13433 39.7444 16.6641 41.1935 -11.909 7.37352 17.0009 8.29308 4.63096 TIMING: 4232400 CPU: 12254.3, 0.00292705/step Wall: 12254.3, 0.00292705/step, 0.624112 hours remaining, 210.542969 MB of memory in use. ENERGY: 4232400 738.2661 2156.0802 1952.2151 128.4551 -206285.1712 17941.2473 0.0000 0.0000 34262.4181 -149106.4892 299.2222 -183368.9073 -149011.6022 299.6295 124.3427 155.5330 555569.5466 -4.2364 -4.1375 PRESSURE: 4232600 94.692 55.6237 -30.6894 55.6239 92.6255 72.7304 -30.6903 72.7301 158.712 GPRESSURE: 4232600 60.3785 112.548 -68.2776 33.4123 138.846 8.66345 -57.4578 94.8037 247.975 PRESSAVG: 4232600 -5.03361 6.62042 11.5838 6.62046 -25.2603 10.5788 11.5838 10.5788 81.5434 GPRESSAVG: 4232600 -5.3095 7.16438 11.1678 6.28807 -25.4277 12.3959 10.4967 9.89738 82.0013 TIMING: 4232600 CPU: 12254.8, 0.00286753/step Wall: 12254.8, 0.00286753/step, 0.611261 hours remaining, 210.613281 MB of memory in use. ENERGY: 4232600 761.0553 2134.6462 1943.3446 94.4306 -206339.6775 17873.5557 0.0000 0.0000 34314.3700 -149218.2752 299.6759 -183532.6452 -149121.4165 298.8744 115.3431 149.0663 555500.8401 17.0832 17.0880 PRESSURE: 4232800 65.432 -50.1858 13.0212 -50.1849 224.384 153.175 13.0205 153.173 466.839 GPRESSURE: 4232800 92.4928 -91.9562 106.63 37.1625 294.846 214.587 -64.2406 137.403 468.604 PRESSAVG: 4232800 -44.9651 33.1845 -1.25398 33.1844 49.8857 -33.0097 -1.25398 -33.0097 -20.6554 GPRESSAVG: 4232800 -43.8955 34.0836 -0.720373 34.3133 49.6388 -34.8565 -0.969714 -33.2302 -21.1211 TIMING: 4232800 CPU: 12255.4, 0.00289327/step Wall: 12255.4, 0.00289327/step, 0.616587 hours remaining, 210.613281 MB of memory in use. ENERGY: 4232800 770.8950 2144.6600 1928.9438 114.6746 -206643.6819 18142.0301 0.0000 0.0000 34314.5001 -149227.9784 299.6771 -183542.4784 -149130.2959 298.9574 252.2182 285.3142 555140.3681 -5.2449 -5.1259 PRESSURE: 4233000 -190.831 172.429 4.19633 172.429 -368.341 1.28186 4.19482 1.2842 35.2134 GPRESSURE: 4233000 -133.415 187.748 -15.4885 87.639 -333.387 67.9136 -18.7705 -33.5658 56.3271 PRESSAVG: 4233000 -4.25078 22.3406 24.7894 22.3406 28.1769 40.0566 24.7895 40.0566 6.51232 GPRESSAVG: 4233000 -5.08959 21.9641 25.672 21.3393 28.232 41.2528 21.8978 38.7346 6.83501 TIMING: 4233000 CPU: 12256, 0.00287542/step Wall: 12256, 0.00287542/step, 0.612624 hours remaining, 210.613281 MB of memory in use. ENERGY: 4233000 778.6622 2130.7713 1938.5665 107.7785 -205967.6334 17495.2292 0.0000 0.0000 34444.0719 -149072.5539 300.8086 -183516.6258 -148971.5741 299.5469 -174.6529 -136.8253 556812.3957 10.1461 9.9925 PRESSURE: 4233200 95.2898 4.70592 -143.807 4.70663 -6.1338 -62.9258 -143.807 -62.9263 54.4446 GPRESSURE: 4233200 91.0682 -69.9064 -64.211 47.3353 57.0866 -113.652 -73.8006 -82.1776 94.6766 PRESSAVG: 4233200 -69.4763 -27.2735 -54.0927 -27.2734 39.8972 14.5342 -54.0928 14.5342 60.9545 GPRESSAVG: 4233200 -68.8643 -28.2465 -55.2543 -27.1166 40.1859 14.0307 -51.7789 12.6578 60.2682 TIMING: 4233200 CPU: 12256.6, 0.00289617/step Wall: 12256.6, 0.00289617/step, 0.616884 hours remaining, 210.613281 MB of memory in use. ENERGY: 4233200 769.6063 2101.6817 1959.6360 115.1431 -206310.8236 18003.8093 0.0000 0.0000 34408.6766 -148952.2706 300.4995 -183360.9472 -148857.9497 300.2465 47.8669 80.9438 556146.5916 10.4585 10.5299 PRESSURE: 4233400 60.3604 -39.5662 204.569 -39.5668 323.105 21.3626 204.568 21.3637 138.409 GPRESSURE: 4233400 132.001 -12.3054 157.543 -107.057 378.66 -12.0872 160.227 28.858 120.33 PRESSAVG: 4233400 -60.1042 5.24238 -5.74139 5.24223 37.7187 27.6954 -5.74136 27.6953 -12.088 GPRESSAVG: 4233400 -59.8159 3.98192 -6.72848 4.17276 38.6116 27.6484 -6.07473 31.0119 -12.196 TIMING: 4233400 CPU: 12257.1, 0.00288033/step Wall: 12257.1, 0.00288033/step, 0.613351 hours remaining, 210.613281 MB of memory in use. ENERGY: 4233400 763.2959 2129.3720 1964.0470 109.4130 -206215.9705 17942.8126 0.0000 0.0000 34333.3057 -148973.7243 299.8413 -183307.0299 -148876.9861 299.8654 173.9579 210.3303 555563.4960 -11.4912 -11.1334 PRESSURE: 4233600 -278.635 129.121 -30.3111 129.121 -136.292 -99.7025 -30.312 -99.703 -110.542 GPRESSURE: 4233600 -282.337 149.463 -91.7645 123.424 -52.6724 -102.552 -31.2863 -51.8513 -85.6382 PRESSAVG: 4233600 -25.026 -7.54568 -35.8307 -7.54569 14.1059 -11.4911 -35.8307 -11.4912 7.63351 GPRESSAVG: 4233600 -24.8228 -4.16852 -33.1607 -6.05712 13.6607 -11.2738 -37.7719 -11.4088 8.11992 TIMING: 4233600 CPU: 12257.7, 0.00288729/step Wall: 12257.7, 0.00288729/step, 0.614672 hours remaining, 210.613281 MB of memory in use. ENERGY: 4233600 721.0820 2063.0616 1987.5324 123.9753 -205881.0869 17450.0971 0.0000 0.0000 34369.5512 -149165.7873 300.1578 -183535.3385 -149061.2885 299.5882 -175.1562 -140.2160 556573.3821 -1.0955 -1.0141 PRESSURE: 4233800 54.6747 195.17 121.127 195.168 61.8224 28.4105 121.126 28.4098 132.788 GPRESSURE: 4233800 95.6281 207.481 155.68 154.688 81.1249 -11.6184 70.3324 45.3749 173.56 PRESSAVG: 4233800 4.88577 -14.1052 -8.83211 -14.1052 32.4673 11.9142 -8.83209 11.9141 13.476 GPRESSAVG: 4233800 4.85616 -16.8511 -9.51701 -14.0959 32.1049 12.8755 -6.43179 10.9519 13.5186 TIMING: 4233800 CPU: 12258.3, 0.00287403/step Wall: 12258.3, 0.00287403/step, 0.611689 hours remaining, 210.613281 MB of memory in use. ENERGY: 4233800 754.7224 2160.9726 1927.0748 111.8199 -206481.1893 18077.1486 0.0000 0.0000 34182.0383 -149267.4128 298.5202 -183449.4510 -149180.8531 299.6952 83.0950 116.7710 556624.9783 16.9430 16.8265 PRESSURE: 4234000 40.2924 174.338 -30.1406 174.336 -223.164 -135.986 -30.1403 -135.987 -195.833 GPRESSURE: 4234000 104.522 97.6061 35.0766 212.84 -193.663 -160.35 -126.572 -131.295 -199 PRESSAVG: 4234000 -12.4728 14.4803 34.7305 14.4802 -20.107 -2.15487 34.7305 -2.1549 40.5222 GPRESSAVG: 4234000 -13.1119 13.7557 31.9002 14.2406 -20.2302 -0.425442 35.5798 -2.36769 41.5689 TIMING: 4234000 CPU: 12258.9, 0.00286358/step Wall: 12258.9, 0.00286358/step, 0.609305 hours remaining, 210.613281 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: 4234000 744.1995 2081.9689 1968.4997 120.0735 -206254.8235 17878.3457 0.0000 0.0000 34335.1214 -149126.6148 299.8572 -183461.7362 -149039.3776 299.5011 -126.2349 -96.0470 558096.8342 2.6475 2.7423 PRESSURE: 4234200 -15.5192 144.779 69.8036 144.78 162.157 64.0738 69.8032 64.0738 248.993 GPRESSURE: 4234200 10.9228 167.133 24.7735 135.288 183.107 107.344 11.2238 80.0289 305.822 PRESSAVG: 4234200 -8.11187 41.7884 4.30389 41.7883 -53.6419 38.7975 4.30381 38.7976 69.7225 GPRESSAVG: 4234200 -8.39202 42.8912 6.51285 41.889 -52.8804 37.8355 3.89316 38.5583 69.1072 TIMING: 4234200 CPU: 12259.4, 0.00287786/step Wall: 12259.4, 0.00287786/step, 0.612185 hours remaining, 210.613281 MB of memory in use. ENERGY: 4234200 760.2200 2101.5858 1954.1298 112.6709 -206426.8403 18060.3919 0.0000 0.0000 34152.2004 -149285.6415 298.2597 -183437.8419 -149197.0681 299.3398 131.8770 166.6175 556405.1081 2.6562 2.6116 PRESSURE: 4234400 -64.7606 15.7223 7.37696 15.7235 73.3871 -122.967 7.37586 -122.966 -235.816 GPRESSURE: 4234400 -28.507 8.31635 -38.4212 13.7168 85.1851 -102.633 37.9478 -29.7844 -191.51 PRESSAVG: 4234400 51.5487 4.68615 14.5547 4.68615 1.45501 -32.5388 14.5547 -32.5387 -48.0409 GPRESSAVG: 4234400 51.6695 5.6368 12.893 4.96853 1.26572 -32.1845 15.8906 -32.1604 -48.5078 TIMING: 4234400 CPU: 12260, 0.00288772/step Wall: 12260, 0.00288772/step, 0.614123 hours remaining, 210.613281 MB of memory in use. ENERGY: 4234400 740.7012 2139.0299 1942.0411 113.2579 -206080.9628 17493.3229 0.0000 0.0000 34371.0732 -149281.5366 300.1711 -183652.6098 -149191.0808 299.5868 -75.7297 -44.9438 556509.9387 1.6543 1.4758 PRESSURE: 4234600 117.977 19.149 -32.8481 19.1499 57.0027 125.425 -32.8492 125.425 -21.6548 GPRESSURE: 4234600 135.45 53.4573 -35.2699 63.0111 102.496 203.56 72.5153 62.4002 12.5141 PRESSAVG: 4234600 -29.7119 -33.3375 10.547 -33.3375 20.2452 27.4215 10.5469 27.4216 -25.1076 GPRESSAVG: 4234600 -30.5857 -33.1348 12.3128 -32.8766 21.2399 27.6254 8.87996 27.1641 -25.5811 TIMING: 4234600 CPU: 12260.6, 0.00287736/step Wall: 12260.6, 0.00287736/step, 0.611759 hours remaining, 210.613281 MB of memory in use. ENERGY: 4234600 809.3934 2117.7699 1963.4270 112.9626 -206239.0566 17956.0857 0.0000 0.0000 34173.1911 -149106.2270 298.4430 -183279.4181 -149013.0943 299.2524 51.1084 83.4868 557169.4085 -11.5248 -11.6423 PRESSURE: 4234800 200.241 -32.3048 -109.945 -32.3048 74.1608 -99.4093 -109.946 -99.4084 310.322 GPRESSURE: 4234800 263.689 -111.479 -46.1616 26.9905 167.297 -114.89 -130.537 -124.652 253.746 PRESSAVG: 4234800 90.5032 -31.2398 -25.8869 -31.2398 16.3393 8.12535 -25.8869 8.12536 -99.6988 GPRESSAVG: 4234800 91.6458 -31.4997 -26.9902 -33.654 14.9291 7.20493 -25.3129 8.16829 -99.8886 TIMING: 4234800 CPU: 12261.2, 0.00286589/step Wall: 12261.2, 0.0028659/step, 0.609162 hours remaining, 210.613281 MB of memory in use. ENERGY: 4234800 758.3529 2113.4636 1952.6620 115.6945 -206366.1244 18091.3590 0.0000 0.0000 34150.3168 -149184.2757 298.2432 -183334.5925 -149088.0904 300.0238 194.9079 228.2438 556722.0709 2.3813 2.2288 PRESSURE: 4235000 -28.5856 7.77415 32.6689 7.77448 -36.6858 -217.22 32.6702 -217.221 161.751 GPRESSURE: 4235000 -23.8695 111.256 36.5129 -34.0238 33.0203 -210.287 96.8745 -266.492 189.853 PRESSAVG: 4235000 -39.1986 -69.1291 -17.9589 -69.1291 0.200515 -55.8726 -17.9589 -55.8726 -7.34268 GPRESSAVG: 4235000 -39.7459 -74.8563 -16.2962 -64.7391 -0.446847 -55.5366 -18.3479 -55.7013 -5.99192 TIMING: 4235000 CPU: 12261.7, 0.0028784/step Wall: 12261.7, 0.0028784/step, 0.611659 hours remaining, 210.613281 MB of memory in use. ENERGY: 4235000 770.4520 2120.2023 1932.0657 121.5001 -206257.6989 17875.7071 0.0000 0.0000 34331.2512 -149106.5205 299.8234 -183437.7718 -149006.9383 299.5808 32.1600 66.3345 556851.7965 -15.4469 -15.3949 PRESSURE: 4235200 -15.675 73.6614 51.677 73.6604 27.7797 129.087 51.6773 129.086 130.851 GPRESSURE: 4235200 22.2523 39.2175 88.2343 147.732 67.7279 217.782 30.9692 156.787 169.248 PRESSAVG: 4235200 0.676673 -37.95 -16.0974 -37.9499 15.1306 -31.5572 -16.0974 -31.5571 27.3934 GPRESSAVG: 4235200 1.46852 -34.3294 -15.4376 -39.2753 16.3159 -28.8259 -16.2782 -33.065 25.6024 TIMING: 4235200 CPU: 12262.3, 0.00287896/step Wall: 12262.3, 0.00287896/step, 0.611619 hours remaining, 210.613281 MB of memory in use. ENERGY: 4235200 739.0428 2155.1981 1970.9486 110.5022 -206166.9639 17840.4745 0.0000 0.0000 34180.6700 -149170.1276 298.5083 -183350.7976 -149070.6360 299.4606 47.6518 86.4093 557564.9835 14.4002 14.4623 PRESSURE: 4235400 -50.2165 -81.0261 -90.4808 -81.0264 286.48 -62.6968 -90.4816 -62.6976 172.529 GPRESSURE: 4235400 -29.1817 -102.056 -112.169 -128.488 394.983 -59.1723 -30.6081 -46.7771 159.097 PRESSAVG: 4235400 -62.6209 16.4873 43.297 16.4873 37.0818 -3.42958 43.297 -3.42953 2.5906 GPRESSAVG: 4235400 -63.7792 17.0624 42.5427 14.885 37.2105 -5.6165 42.6285 -1.93532 2.85902 TIMING: 4235400 CPU: 12262.9, 0.00287822/step Wall: 12262.9, 0.00287822/step, 0.611303 hours remaining, 210.613281 MB of memory in use. ENERGY: 4235400 726.6259 2097.1529 1947.0530 115.7815 -206432.1022 18007.8267 0.0000 0.0000 34396.6334 -149141.0288 300.3944 -183537.6622 -149048.6608 299.8252 136.2642 174.9662 558656.3624 -7.6495 -7.9032 PRESSURE: 4235600 -284.289 12.2555 59.2936 12.255 -270.731 -40.3771 59.2932 -40.375 44.3833 GPRESSURE: 4235600 -249.079 29.8957 79.0532 -6.91173 -235.327 -74.0452 60.4023 -97.4232 52.9652 PRESSAVG: 4235600 6.46519 -70.6387 -3.88092 -70.6386 1.68486 -44.3206 -3.88085 -44.3205 42.9191 GPRESSAVG: 4235600 7.21281 -70.7241 -4.23015 -68.8231 1.22143 -46.5374 -3.42355 -43.1323 42.718 TIMING: 4235600 CPU: 12263.5, 0.00287597/step Wall: 12263.5, 0.00287597/step, 0.610665 hours remaining, 210.613281 MB of memory in use. ENERGY: 4235600 737.7412 2092.2993 1951.3517 121.7305 -206019.7210 17699.4283 0.0000 0.0000 34463.9036 -148953.2664 300.9818 -183417.1700 -148863.3461 299.8297 -170.2122 -143.8136 559336.1083 17.0230 17.0507 PRESSURE: 4235800 -47.1927 -72.7171 24.1151 -72.716 -67.3782 26.8875 24.1156 26.8881 -12.2761 GPRESSURE: 4235800 -3.40447 -100.96 26.7659 -1.27886 -23.6267 39.6681 -71.7813 -9.38189 -1.58232 PRESSAVG: 4235800 -59.708 -22.3554 17.9118 -22.3554 -15.1757 -22.2886 17.9119 -22.2885 58.2819 GPRESSAVG: 4235800 -59.31 -22.1787 18.585 -24.0271 -14.5423 -20.7985 17.7823 -23.328 57.4899 TIMING: 4235800 CPU: 12264, 0.00287644/step Wall: 12264, 0.00287644/step, 0.610604 hours remaining, 210.613281 MB of memory in use. ENERGY: 4235800 781.0953 2152.9591 1948.7663 114.5410 -205935.7698 17732.3421 0.0000 0.0000 34221.0690 -148984.9972 298.8611 -183206.0661 -148896.2136 300.0638 -42.2823 -9.5378 559026.5666 -5.5339 -5.4542 PRESSURE: 4236000 -15.5057 -12.6762 -44.0147 -12.678 166.241 -174.815 -44.0137 -174.817 -58.4055 GPRESSURE: 4236000 93.238 34.0744 3.50122 -24.2416 155.718 -226.032 -38.1769 -116.821 -58.6588 PRESSAVG: 4236000 -26.5497 -10.9404 -6.94594 -10.9403 76.1136 -15.895 -6.94609 -15.8951 -53.6494 GPRESSAVG: 4236000 -28.1525 -12.077 -7.95021 -9.3943 76.0972 -14.1835 -6.439 -15.285 -51.5774 TIMING: 4236000 CPU: 12264.6, 0.00286781/step Wall: 12264.6, 0.00286781/step, 0.608614 hours remaining, 210.613281 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: 4236000 747.9932 2080.9756 1928.7275 118.0212 -206281.5631 17972.4884 0.0000 0.0000 34379.8326 -149053.5246 300.2476 -183433.3572 -148952.8610 299.4885 30.7765 63.4322 557907.9352 -1.3619 -1.2109 PRESSURE: 4236200 68.6748 -30.878 -63.1132 -30.8787 -203.737 -115.387 -63.113 -115.387 238.026 GPRESSURE: 4236200 48.9164 -36.0713 -127.122 -76.5968 -155.211 -90.6698 19.1989 -70.4941 305.992 PRESSAVG: 4236200 -43.8043 -25.0135 -13.168 -25.0134 12.9769 1.66366 -13.1681 1.66362 62.5658 GPRESSAVG: 4236200 -42.9165 -24.1619 -14.8901 -26.799 13.241 0.608849 -10.4668 3.33677 61.7393 TIMING: 4236200 CPU: 12265.2, 0.00289249/step Wall: 12265.2, 0.00289249/step, 0.613689 hours remaining, 210.613281 MB of memory in use. ENERGY: 4236200 734.7291 2056.2800 1922.9909 106.3569 -206218.8157 18021.0945 0.0000 0.0000 34129.3752 -149247.9891 298.0603 -183377.3644 -149141.5010 299.3760 34.3214 66.5659 558325.7530 10.5795 10.6879 LDB: ============= START OF LOAD BALANCING ============== 12268.6 LDB: ============== END OF LOAD BALANCING =============== 12268.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12268.6 LDB: ============= START OF LOAD BALANCING ============== 12268.9 LDB: Largest compute 4773 load 0.023652 is 20.0% of average load 0.117990 LDB: Average compute 0.001724 is 1.5% of average load 0.117990 LDB: TIME 12268.9 LOAD: AVG 0.11799 MAX 0.18035 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.625 MB LDB: TIME 12268.9 LOAD: AVG 0.11799 MAX 0.18035 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.758 MB LDB: TIME 12268.9 LOAD: AVG 0.11799 MAX 0.18035 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.758 MB LDB: ============== END OF LOAD BALANCING =============== 12268.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12268.9 PRESSURE: 4236400 -149.924 59.2057 60.2875 59.2044 116.103 -23.2265 60.2871 -23.2283 -127.033 GPRESSURE: 4236400 -83.4199 7.17782 16.6085 49.6829 140.04 28.3941 -23.1554 -29.5455 -126.619 PRESSAVG: 4236400 -25.7138 59.7788 -27.2608 59.7789 -7.04618 -6.23154 -27.2608 -6.23163 34.7854 GPRESSAVG: 4236400 -25.5864 61.2079 -24.8532 59.1496 -7.79917 -5.13247 -29.8025 -6.18332 34.8345 TIMING: 4236400 CPU: 12265.8, 0.0029511/step Wall: 12265.8, 0.0029511/step, 0.62596 hours remaining, 211.820312 MB of memory in use. ENERGY: 4236400 764.1808 2092.9699 1936.7181 117.0768 -206435.9056 17921.7751 0.0000 0.0000 34334.8285 -149268.3563 299.8546 -183603.1848 -149168.4111 299.5645 -53.6180 -23.3331 559458.9960 0.6751 0.4830 PRESSURE: 4236600 40.5517 72.284 -55.5985 72.2855 -247.44 103.642 -55.599 103.642 20.7189 GPRESSURE: 4236600 77.8624 182.466 0.443096 99.1759 -220.176 109.094 -51.7427 -2.06561 42.5738 PRESSAVG: 4236600 16.4553 21.4222 -6.38426 21.4222 -78.5334 -21.8887 -6.38427 -21.8887 62.8824 GPRESSAVG: 4236600 16.3001 22.7867 -6.37004 21.8264 -78.6424 -23.936 -4.96126 -23.9346 63.1381 TIMING: 4236600 CPU: 12266.4, 0.00289896/step Wall: 12266.4, 0.00289896/step, 0.614741 hours remaining, 212.019531 MB of memory in use. ENERGY: 4236600 760.1578 2047.1367 1932.8662 111.5987 -205969.4999 17697.5975 0.0000 0.0000 34380.9152 -149039.2277 300.2571 -183420.1429 -148946.4744 299.7313 -62.0565 -33.2466 559021.3958 0.2681 0.2653 PRESSURE: 4236800 -125.301 239.879 103.954 239.88 -78.4137 111.093 103.956 111.094 82.3091 GPRESSURE: 4236800 -103.417 241.77 164.049 204.463 -81.5589 49.43 83.0187 81.9064 166.738 PRESSAVG: 4236800 40.1385 13.2561 62.5597 13.2562 -27.9826 78.1297 62.5597 78.1297 0.166628 GPRESSAVG: 4236800 40.1275 10.3908 62.77 14.862 -28.12 79.9183 60.8215 77.3847 0.354624 TIMING: 4236800 CPU: 12267, 0.00289427/step Wall: 12267, 0.00289427/step, 0.613584 hours remaining, 212.019531 MB of memory in use. ENERGY: 4236800 754.1556 2101.7578 1933.2442 104.1870 -206002.4431 17844.9742 0.0000 0.0000 34242.6920 -149021.4324 299.0499 -183264.1243 -148922.9479 299.7513 -40.4684 -6.0795 558477.1818 4.1075 4.1207 PRESSURE: 4237000 -226.503 -44.3794 14.4114 -44.3798 -239.265 -77.212 14.4103 -77.2133 -160.596 GPRESSURE: 4237000 -149.283 -47.7282 -59.8907 -45.8167 -245.179 -30.554 33.8578 -105.734 -119.542 PRESSAVG: 4237000 -11.1272 35.9663 -43.3702 35.9662 30.5293 9.16643 -43.3702 9.16646 6.16058 GPRESSAVG: 4237000 -10.5853 35.0111 -43.5111 35.2901 31.2985 8.72577 -42.5613 11.2044 4.84081 TIMING: 4237000 CPU: 12267.5, 0.00287032/step Wall: 12267.5, 0.00287032/step, 0.608348 hours remaining, 212.019531 MB of memory in use. ENERGY: 4237000 786.5634 2050.3849 1934.8278 127.1342 -205677.7592 17514.7295 0.0000 0.0000 34193.4378 -149070.6816 298.6198 -183264.1194 -148976.4385 299.3717 -208.7880 -171.3343 558307.3579 8.5209 8.5180 PRESSURE: 4237200 17.7776 29.8028 -93.6041 29.8036 74.0925 -28.743 -93.6045 -28.7427 -41.6202 GPRESSURE: 4237200 49.6237 84.5452 -67.5219 -26.1479 30.2353 26.9554 -94.4626 27.6614 66.463 PRESSAVG: 4237200 -68.0142 -7.0734 -34.2024 -7.0734 31.3843 10.4531 -34.2023 10.4531 23.6428 GPRESSAVG: 4237200 -68.4073 -4.84178 -35.4738 -8.05226 31.6355 12.062 -35.667 9.31424 23.7825 TIMING: 4237200 CPU: 12268.1, 0.00287686/step Wall: 12268.1, 0.00287686/step, 0.609575 hours remaining, 212.019531 MB of memory in use. ENERGY: 4237200 760.4706 2097.6713 1976.2083 119.2140 -206080.9946 17711.2183 0.0000 0.0000 34501.0484 -148915.1637 301.3062 -183416.2121 -148819.9900 300.2244 16.7500 48.7740 557533.6339 -4.3291 -4.3297 PRESSURE: 4237400 -120.085 -32.13 -20.1527 -32.1299 -182.813 -3.96165 -20.1529 -3.96242 -188.2 GPRESSURE: 4237400 -117.22 -88.7525 -3.65654 -90.1037 -189.606 -17.759 -99.7292 -54.6225 -80.7238 PRESSAVG: 4237400 -61.2861 -22.897 -33.6538 -22.897 25.0985 13.0169 -33.6537 13.0169 -2.48464 GPRESSAVG: 4237400 -61.7967 -23.6369 -33.5606 -22.1477 24.8578 11.8038 -31.0601 14.1573 -1.66154 TIMING: 4237400 CPU: 12268.7, 0.00290889/step Wall: 12268.7, 0.00290889/step, 0.6162 hours remaining, 212.019531 MB of memory in use. ENERGY: 4237400 775.1687 2069.0106 1968.4063 116.9570 -205688.8955 17627.1642 0.0000 0.0000 34170.7161 -148961.4726 298.4214 -183132.1886 -148864.4084 300.2578 -163.6993 -129.1830 557439.0672 -12.8907 -12.8668 PRESSURE: 4237600 -37.2894 -36.2453 128.84 -36.2444 -159.355 70.7028 128.84 70.7014 59.195 GPRESSURE: 4237600 -56.4739 -81.1307 163.827 -56.353 -100.466 66.5709 119.402 56.5033 129.127 PRESSAVG: 4237600 19.2077 -56.485 8.48522 -56.4849 3.18352 -20.487 8.48523 -20.487 15.3619 GPRESSAVG: 4237600 19.4491 -56.1033 9.89865 -56.8124 3.80195 -21.3752 8.24843 -18.2743 14.96 TIMING: 4237600 CPU: 12269.3, 0.00290297/step Wall: 12269.3, 0.00290297/step, 0.614785 hours remaining, 212.019531 MB of memory in use. ENERGY: 4237600 742.6245 2062.3971 1945.3625 121.1035 -206089.6112 17826.9868 0.0000 0.0000 34372.9111 -149018.2257 300.1872 -183391.1367 -148921.7680 299.4425 -45.8166 -9.2710 556978.4805 12.5844 12.7370 PRESSURE: 4237800 -134.536 -2.90476 68.0287 -2.90452 -220.53 -114.528 68.0296 -114.528 -181.3 GPRESSURE: 4237800 -93.7067 -56.8148 87.2905 71.1219 -203.768 -76.132 61.9034 -151.738 -125.855 PRESSAVG: 4237800 15.1488 -58.2902 -43.9232 -58.2901 -28.066 2.45253 -43.9233 2.45255 39.3112 GPRESSAVG: 4237800 15.1906 -60.7248 -45.8481 -56.3798 -28.6861 0.924561 -43.9296 1.3046 39.8053 TIMING: 4237800 CPU: 12269.8, 0.00287531/step Wall: 12269.8, 0.00287531/step, 0.608768 hours remaining, 212.019531 MB of memory in use. ENERGY: 4237800 749.4979 2018.4518 1911.5986 120.4388 -206087.6460 17662.7281 0.0000 0.0000 34551.0921 -149073.8387 301.7433 -183624.9308 -148972.2350 299.9371 -178.7888 -141.1101 558262.8048 8.7980 8.7699 PRESSURE: 4238000 -376.903 -156.258 -114.531 -156.258 -329.513 138.011 -114.53 138.011 -180.757 GPRESSURE: 4238000 -321.962 -150.994 -121.382 -110.258 -273.357 80.9141 -142.609 178.466 -198.041 PRESSAVG: 4238000 10.6537 -73.7903 -47.8299 -73.7903 -12.601 -28.0679 -47.83 -28.0679 -20.9209 GPRESSAVG: 4238000 9.75095 -68.3175 -47.8138 -78.2862 -12.4834 -28.5143 -47.9147 -28.8021 -20.2575 TIMING: 4238000 CPU: 12270.4, 0.00288385/step Wall: 12270.4, 0.00288385/step, 0.610415 hours remaining, 212.019531 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: 4238000 754.4405 2032.4436 1950.9990 121.5803 -205582.5681 17301.2136 0.0000 0.0000 34213.4553 -149208.4360 298.7946 -183421.8913 -149116.4501 299.2416 -295.7241 -264.4532 557803.0918 -7.6227 -7.6633 PRESSURE: 4238200 -31.3197 -59.0678 -44.1451 -59.0691 61.6248 27.8282 -44.1449 27.8291 76.9065 GPRESSURE: 4238200 0.548805 -68.9375 0.756741 -91.4687 87.4323 64.798 -56.5655 13.437 107.421 PRESSAVG: 4238200 -48.5144 -60.984 -47.0323 -60.9841 17.8968 3.53351 -47.0323 3.53342 17.6956 GPRESSAVG: 4238200 -47.4509 -63.5155 -45.3923 -59.1545 17.972 6.73399 -48.8362 2.5239 16.5475 TIMING: 4238200 CPU: 12271, 0.00288341/step Wall: 12271, 0.00288341/step, 0.610161 hours remaining, 212.019531 MB of memory in use. ENERGY: 4238200 744.2302 2131.7606 1954.7814 122.7074 -206052.2077 17589.1791 0.0000 0.0000 34446.0335 -149063.5155 300.8258 -183509.5490 -148966.8420 299.2608 35.7372 65.1342 556424.2659 -4.3073 -4.3105 PRESSURE: 4238400 178.789 235.439 50.4869 235.439 38.4537 233.058 50.4887 233.059 -195.32 GPRESSURE: 4238400 186.177 206.113 -28.0331 189.233 94.1725 239.423 83.6525 215.166 -171.34 PRESSAVG: 4238400 32.3179 -25.4724 -16.248 -25.4723 -15.4963 20.2847 -16.248 20.2846 -34.8453 GPRESSAVG: 4238400 31.1988 -26.3267 -17.9219 -24.4017 -15.6519 19.7442 -14.9097 19.4531 -33.4985 TIMING: 4238400 CPU: 12271.6, 0.00287668/step Wall: 12271.6, 0.00287668/step, 0.608578 hours remaining, 212.019531 MB of memory in use. ENERGY: 4238400 781.1082 2153.0615 1948.7971 115.2777 -206070.0605 17772.0442 0.0000 0.0000 34269.8632 -149029.9086 299.2872 -183299.7717 -148938.0700 299.8353 7.3075 36.3366 555845.8713 -6.0079 -5.9839 PRESSURE: 4238600 -116.644 266.683 -11.1011 266.683 -44.6477 -72.2929 -11.101 -72.2918 -57.2319 GPRESSURE: 4238600 -66.7963 259.286 5.95617 197.183 -38.937 -31.0916 56.2124 -27.0866 -15.5685 PRESSAVG: 4238600 46.736 12.4416 22.5142 12.4417 -48.2062 15.7108 22.5142 15.7109 -14.8144 GPRESSAVG: 4238600 47.1265 13.733 24.0037 10.2605 -48.8854 13.1274 23.5579 18.3183 -14.9432 TIMING: 4238600 CPU: 12272.1, 0.00289122/step Wall: 12272.1, 0.00289122/step, 0.611493 hours remaining, 212.019531 MB of memory in use. ENERGY: 4238600 742.6286 2166.4039 1942.3126 124.3584 -205944.4862 17648.0447 0.0000 0.0000 34462.3039 -148858.4341 300.9679 -183320.7379 -148765.3529 300.1771 -72.8412 -40.4339 557642.5763 -5.4282 -5.5674 PRESSURE: 4238800 -179.011 -99.6797 -89.5412 -99.6792 -49.8279 -86.0014 -89.5417 -86.0008 -356.898 GPRESSURE: 4238800 -143.214 -89.793 -12.5982 -39.5628 -82.9103 -42.3305 -126.465 -8.43366 -264.413 PRESSAVG: 4238800 28.507 -23.8593 13.7929 -23.8593 60.0068 8.54814 13.7929 8.54806 -73.781 GPRESSAVG: 4238800 29.1886 -24.3842 15.2222 -21.9252 59.0754 9.29986 11.823 6.54898 -73.4258 TIMING: 4238800 CPU: 12272.7, 0.00287978/step Wall: 12272.7, 0.00287978/step, 0.608913 hours remaining, 212.019531 MB of memory in use. ENERGY: 4238800 727.4031 2102.8337 1960.7282 113.2686 -206004.4862 17585.8478 0.0000 0.0000 34639.1643 -148875.2406 302.5124 -183514.4049 -148768.7935 300.3521 -195.2457 -163.5124 558169.4667 4.9109 4.9460 PRESSURE: 4239000 -177.933 -29.826 123.241 -29.826 -155.506 -183.303 123.241 -183.303 -94.5089 GPRESSURE: 4239000 -138.691 -17.5608 143.972 24.0799 -141.162 -210.492 14.0818 -213.812 -55.3104 PRESSAVG: 4239000 52.6662 -4.89412 21.1844 -4.89423 -22.509 -36.032 21.1843 -36.0319 -8.26623 GPRESSAVG: 4239000 52.263 -6.03417 20.089 -5.49676 -21.0349 -33.474 21.2861 -35.8574 -9.28344 TIMING: 4239000 CPU: 12273.3, 0.00287249/step Wall: 12273.3, 0.00287249/step, 0.607212 hours remaining, 212.019531 MB of memory in use. ENERGY: 4239000 750.4435 2171.0996 1916.0027 130.3027 -205834.4313 17606.2891 0.0000 0.0000 34279.1830 -148981.1107 299.3686 -183260.2937 -148888.3922 299.7554 -142.6492 -111.7210 558900.9530 7.2970 7.3149 PRESSURE: 4239200 -46.3635 -1.53625 151.37 -1.53607 -287.722 106.525 151.371 106.524 -174.825 GPRESSURE: 4239200 -12.7782 -40.2976 106.723 50.6379 -245.644 138.405 64.7839 94.069 -136.682 PRESSAVG: 4239200 80.9832 10.4054 12.1283 10.4053 -73.817 -52.3704 12.1282 -52.3704 26.2343 GPRESSAVG: 4239200 81.6486 11.6762 12.029 9.33613 -74.5302 -53.1244 13.3008 -52.2803 26.8832 TIMING: 4239200 CPU: 12273.9, 0.00288089/step Wall: 12273.9, 0.00288089/step, 0.608829 hours remaining, 212.019531 MB of memory in use. ENERGY: 4239200 729.7174 2094.8778 1954.9343 116.9856 -205662.6598 17649.8718 0.0000 0.0000 34055.4873 -149060.7858 297.4150 -183116.2731 -148957.9745 299.8721 -169.6371 -131.7015 558840.8119 11.1335 11.3339 PRESSURE: 4239400 -189.399 -158.101 22.4556 -158.1 -204.042 83.3934 22.4557 83.3941 -298.909 GPRESSURE: 4239400 -123.632 -83.8844 67.1035 -174.829 -202.803 33.5561 31.9322 101.928 -274.04 PRESSAVG: 4239400 38.682 27.6302 14.7313 27.6301 10.6127 -84.9437 14.7313 -84.9435 -98.7162 GPRESSAVG: 4239400 39.4638 29.0664 13.4401 28.3466 10.3314 -87.0118 15.3179 -84.6136 -98.9566 TIMING: 4239400 CPU: 12274.4, 0.00288653/step Wall: 12274.4, 0.00288653/step, 0.60986 hours remaining, 212.019531 MB of memory in use. ENERGY: 4239400 774.0812 2111.7244 1960.2588 112.3745 -205946.9983 17591.3845 0.0000 0.0000 34265.4434 -149131.7315 299.2486 -183397.1749 -149034.1089 299.4409 -230.7834 -200.1583 558639.7787 -16.4738 -16.3871 PRESSURE: 4239600 -208.149 -113.531 122.516 -113.531 -4.03913 -48.8871 122.515 -48.8866 25.6051 GPRESSURE: 4239600 -211.574 -82.2728 55.9394 -121.28 41.3344 -18.4531 198.383 -79.1665 80.1377 PRESSAVG: 4239600 37.0722 -11.6857 -7.47609 -11.6857 -10.0753 -25.1765 -7.47605 -25.1766 -22.0788 GPRESSAVG: 4239600 35.9591 -13.3214 -7.17353 -11.9289 -8.19528 -27.1268 -7.72791 -22.0433 -22.6676 TIMING: 4239600 CPU: 12275, 0.00287586/step Wall: 12275, 0.00287586/step, 0.607446 hours remaining, 212.019531 MB of memory in use. ENERGY: 4239600 771.3134 2067.2291 1944.1515 111.4679 -206243.0238 17785.1879 0.0000 0.0000 34369.2947 -149194.3792 300.1556 -183563.6740 -149093.7477 299.9322 -62.1943 -30.0341 557067.4816 1.6394 1.6987 PRESSURE: 4239800 -34.1504 69.3327 -29.6579 69.3337 -251.949 91.189 -29.6578 91.1886 44.5586 GPRESSURE: 4239800 -28.0863 -40.9682 -56.0192 100.52 -169.994 105.248 -36.9685 -12.8539 37.4123 PRESSAVG: 4239800 2.32312 -7.71604 10.0212 -7.7161 41.6685 50.0084 10.0212 50.0084 -40.891 GPRESSAVG: 4239800 2.88166 -11.0885 11.268 -4.08659 41.4764 52.6852 8.93782 46.6653 -40.8318 TIMING: 4239800 CPU: 12275.6, 0.00287592/step Wall: 12275.6, 0.00287592/step, 0.607299 hours remaining, 212.019531 MB of memory in use. ENERGY: 4239800 782.8838 2104.0815 1938.4701 110.6044 -206387.1360 17790.6921 0.0000 0.0000 34450.8711 -149209.5330 300.8680 -183660.4041 -149110.6046 299.5401 -80.5136 -53.5558 555026.5871 1.0335 1.1754 PRESSURE: 4240000 -177.627 98.7603 -5.69059 98.7598 41.6926 -86.8261 -5.68921 -86.8274 22.2287 GPRESSURE: 4240000 -72.4724 90.7778 69.2298 63.659 99.5578 -163.745 -87.3027 -36.6885 -46.7382 PRESSAVG: 4240000 15.616 -45.0074 26.4463 -45.0074 21.3268 17.3657 26.4464 17.3656 -26.6065 GPRESSAVG: 4240000 15.2044 -44.4494 24.8453 -45.8027 20.8353 16.8712 28.2743 17.7171 -25.9745 TIMING: 4240000 CPU: 12276.2, 0.00286796/step Wall: 12276.2, 0.00286796/step, 0.605458 hours remaining, 212.019531 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: 4240000 718.2444 2127.9629 1945.7527 114.8388 -206320.9090 17803.1200 0.0000 0.0000 34327.2989 -149283.6913 299.7888 -183610.9902 -149187.4392 299.4920 -37.9020 -6.5509 556555.7302 3.4454 3.3551 PRESSURE: 4240200 -30.9055 92.367 62.2547 92.3673 -126.696 -131.747 62.2551 -131.747 -97.6109 GPRESSURE: 4240200 -15.9301 47.5579 47.9534 140.244 -53.1117 -116.085 90.3115 -104.432 -96.0172 PRESSAVG: 4240200 44.5117 11.335 60.7843 11.3349 23.3023 -8.90466 60.7844 -8.90466 -64.4738 GPRESSAVG: 4240200 45.5103 14.3354 61.7454 9.3343 22.9007 -7.55557 60.9903 -9.98983 -65.4133 TIMING: 4240200 CPU: 12276.7, 0.00287645/step Wall: 12276.7, 0.00287645/step, 0.607091 hours remaining, 212.019531 MB of memory in use. ENERGY: 4240200 754.3917 2070.8227 1954.7150 115.9083 -206308.2526 17827.1490 0.0000 0.0000 34362.0653 -149223.2007 300.0925 -183585.2660 -149121.8959 300.1244 -85.0709 -55.0196 557191.0702 1.1134 0.9993 LDB: ============= START OF LOAD BALANCING ============== 12280.1 LDB: ============== END OF LOAD BALANCING =============== 12280.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12280.1 LDB: ============= START OF LOAD BALANCING ============== 12280.4 LDB: Largest compute 4773 load 0.025006 is 21.2% of average load 0.118062 LDB: Average compute 0.001728 is 1.5% of average load 0.118062 LDB: TIME 12280.4 LOAD: AVG 0.118062 MAX 0.178682 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.848 MB LDB: TIME 12280.4 LOAD: AVG 0.118062 MAX 0.178682 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.047 MB LDB: TIME 12280.4 LOAD: AVG 0.118062 MAX 0.178682 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12280.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12280.4 PRESSURE: 4240400 95.6816 -93.238 -14.1026 -93.2378 134.627 -0.194287 -14.1022 -0.195573 2.57058 GPRESSURE: 4240400 146.792 -43.4441 40.3327 -124.526 153.781 0.925179 -79.0054 6.52023 39.6406 PRESSAVG: 4240400 -9.78595 34.1514 35.8768 34.1514 -0.0159791 4.04009 35.8768 4.04001 -4.45422 GPRESSAVG: 4240400 -10.2111 31.8102 35.1653 36.0282 0.548458 3.82093 33.2007 5.69852 -4.43209 TIMING: 4240400 CPU: 12277.3, 0.00294658/step Wall: 12277.3, 0.00294658/step, 0.621728 hours remaining, 211.500000 MB of memory in use. ENERGY: 4240400 766.4321 2110.8718 1940.5871 106.7302 -206631.3549 18108.3973 0.0000 0.0000 34332.6273 -149265.7091 299.8354 -183598.3364 -149171.5120 299.6156 77.6265 113.4046 556099.8120 -4.7521 -4.6983 PRESSURE: 4240600 80.1419 -74.6429 4.8049 -74.6435 -375.414 -138.366 4.8026 -138.366 -33.5937 GPRESSURE: 4240600 69.9121 -125.58 -20.3019 -0.249058 -296.562 -154.452 -68.8639 -37.21 7.8329 PRESSAVG: 4240600 44.9932 -22.0856 29.5235 -22.0857 44.3548 -49.927 29.5235 -49.927 -118.097 GPRESSAVG: 4240600 45.1912 -19.5006 30.8455 -22.133 44.1257 -51.5524 29.8946 -49.7994 -117.714 TIMING: 4240600 CPU: 12277.9, 0.0028864/step Wall: 12277.9, 0.0028864/step, 0.60887 hours remaining, 211.699219 MB of memory in use. ENERGY: 4240600 761.0253 2071.7804 1973.5003 106.3398 -205822.6796 17652.4666 0.0000 0.0000 34154.4938 -149103.0734 298.2797 -183257.5672 -149005.6420 299.5948 -109.6220 -72.9391 557499.9193 -9.5830 -9.4656 PRESSURE: 4240800 -102.25 -40.1237 -82.9354 -40.1214 -277.797 90.7903 -82.934 90.7902 -165.256 GPRESSURE: 4240800 -95.3188 -74.2699 -62.5849 -75.6894 -248.481 136.296 -143.463 87.5818 -102.992 PRESSAVG: 4240800 -67.1461 37.163 -11.5086 37.163 -1.43728 -41.7053 -11.5086 -41.7052 76.2825 GPRESSAVG: 4240800 -67.853 35.3741 -12.1784 37.1276 -1.13212 -41.6516 -10.238 -42.9129 76.0351 TIMING: 4240800 CPU: 12278.5, 0.00287083/step Wall: 12278.5, 0.00287083/step, 0.605427 hours remaining, 211.699219 MB of memory in use. ENERGY: 4240800 754.2004 2076.7344 1911.1817 110.7204 -205572.3504 17335.3610 0.0000 0.0000 34313.1590 -149070.9936 299.6654 -183384.1526 -148981.6300 299.7176 -181.7677 -148.9305 556787.2312 2.5664 2.3500 PRESSURE: 4241000 -238.711 -72.2324 -20.3783 -72.2316 20.5283 11.4466 -20.3774 11.447 -212.362 GPRESSURE: 4241000 -176.39 -69.3189 -37.1417 -123.296 44.0891 47.5322 -54.2772 30.515 -190.483 PRESSAVG: 4241000 13.8064 -12.2601 6.89302 -12.2601 -27.3318 -34.4126 6.89308 -34.4126 4.50861 GPRESSAVG: 4241000 14.1764 -10.8838 6.35303 -14.0924 -28.2821 -33.7798 6.48889 -35.0864 5.11835 TIMING: 4241000 CPU: 12279.1, 0.00287733/step Wall: 12279.1, 0.00287733/step, 0.606637 hours remaining, 211.699219 MB of memory in use. ENERGY: 4241000 733.3249 2123.1812 1917.4884 97.0684 -205709.1583 17497.8343 0.0000 0.0000 34231.2224 -149109.0387 298.9498 -183340.2611 -149020.4065 299.8766 -143.5148 -107.5944 558303.4571 -3.0056 -2.9958 PRESSURE: 4241200 -85.4798 35.1409 -43.9144 35.1404 42.8974 91.1171 -43.9132 91.1152 20.0128 GPRESSURE: 4241200 -78.7265 23.1402 -71.1531 59.4043 146.47 7.93058 74.7931 159.369 9.57745 PRESSAVG: 4241200 -56.1403 -6.67288 5.19427 -6.67286 58.0084 -104.611 5.19432 -104.612 -5.15223 GPRESSAVG: 4241200 -55.7006 -8.06334 5.1198 -6.4963 58.0972 -103.47 5.78838 -104.797 -5.70109 TIMING: 4241200 CPU: 12279.6, 0.00290228/step Wall: 12279.6, 0.00290228/step, 0.611735 hours remaining, 211.699219 MB of memory in use. ENERGY: 4241200 758.2890 2096.9200 1934.5909 101.1555 -206131.6535 17968.4521 0.0000 0.0000 34146.9897 -149125.2563 298.2142 -183272.2460 -149039.6404 299.4028 -7.5232 25.7738 559468.8025 -1.0947 -1.1015 PRESSURE: 4241400 97.917 -72.8889 -34.7895 -72.8885 59.0955 13.3469 -34.7898 13.3477 279.834 GPRESSURE: 4241400 115.102 -85.6473 -26.7914 -160.046 72.1955 19.5263 1.2463 -16.3249 335.414 PRESSAVG: 4241400 4.09888 34.2722 5.09225 34.2721 6.76038 -54.463 5.09232 -54.4629 -36.6935 GPRESSAVG: 4241400 3.78623 34.7543 3.40754 34.1524 7.08014 -55.9616 4.52033 -53.7239 -36.8702 TIMING: 4241400 CPU: 12280.2, 0.00289764/step Wall: 12280.2, 0.00289764/step, 0.610596 hours remaining, 211.699219 MB of memory in use. ENERGY: 4241400 708.4919 2086.6315 1952.5935 106.5869 -206465.8036 18122.3298 0.0000 0.0000 34244.6547 -149244.5153 299.0671 -183489.1700 -149148.8324 299.1563 145.6155 174.2372 557630.1049 -8.6114 -8.6679 PRESSURE: 4241600 95.2534 12.2424 54.5427 12.2426 33.4445 -18.8697 54.5434 -18.8692 158.588 GPRESSURE: 4241600 104.616 -1.73161 -25.5317 -16.2902 92.5569 6.91575 126.689 32.1983 181.587 PRESSAVG: 4241600 -5.46924 -22.7452 -22.7139 -22.7453 -19.3772 -19.6834 -22.7138 -19.6835 38.5825 GPRESSAVG: 4241600 -5.21226 -25.1423 -23.0024 -21.9069 -19.5251 -19.4975 -20.9012 -20.5379 38.6509 TIMING: 4241600 CPU: 12280.8, 0.00289172/step Wall: 12280.8, 0.00289172/step, 0.609188 hours remaining, 211.699219 MB of memory in use. ENERGY: 4241600 720.6042 2069.2300 1933.3830 115.1804 -206482.5768 18025.7774 0.0000 0.0000 34478.7165 -149139.6852 301.1112 -183618.4018 -149038.3012 299.8047 95.7619 126.2533 559042.7463 4.5787 4.6379 PRESSURE: 4241800 140.824 -155.017 56.795 -155.016 136.194 28.8113 56.7964 28.8105 -227.916 GPRESSURE: 4241800 133.657 -160.995 -17.6031 -88.381 158.845 60.7143 147.687 -38.4685 -143.375 PRESSAVG: 4241800 9.37564 -30.9021 66.8231 -30.902 15.4513 -58.9203 66.8231 -58.9202 -22.9246 GPRESSAVG: 4241800 8.69867 -30.5514 68.338 -30.4809 15.1408 -59.0898 65.9023 -58.8565 -21.5461 TIMING: 4241800 CPU: 12281.4, 0.00288908/step Wall: 12281.4, 0.00288908/step, 0.608473 hours remaining, 211.699219 MB of memory in use. ENERGY: 4241800 745.9603 2151.8314 1933.1556 110.2862 -206281.3323 18114.9187 0.0000 0.0000 34276.9556 -148948.2245 299.3492 -183225.1801 -148851.8278 299.8357 16.3677 49.7088 560274.1939 0.6341 0.7645 PRESSURE: 4242000 -386.919 -211.714 -57.4133 -211.714 -165.051 81.6727 -57.4135 81.6733 -274.562 GPRESSURE: 4242000 -356.833 -179.821 -113.721 -221.269 -137.911 68.1071 28.6647 71.9805 -239.561 PRESSAVG: 4242000 -33.1114 -1.48673 44.6406 -1.48675 31.6845 36.999 44.6408 36.9992 15.7791 GPRESSAVG: 4242000 -32.2258 -0.872219 43.6211 -1.15105 31.9022 37.4869 45.4848 36.3554 14.2623 TIMING: 4242000 CPU: 12282, 0.00287576/step Wall: 12282, 0.00287576/step, 0.605507 hours remaining, 211.699219 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: 4242000 781.2611 2095.5890 1931.1307 104.4822 -205444.8433 17412.5670 0.0000 0.0000 34349.1803 -148770.6329 299.9799 -183119.8132 -148667.0009 300.5123 -275.5109 -244.7681 560195.4989 4.7841 4.6462 PRESSURE: 4242200 -170.312 51.1125 -17.8607 51.1119 -26.7643 -197.169 -17.8605 -197.17 -154.32 GPRESSURE: 4242200 -88.2065 -20.7743 -35.2364 127.465 3.82824 -168.913 59.945 -195.645 -170.791 PRESSAVG: 4242200 45.0235 -10.1994 46.3002 -10.1993 -11.4478 -24.091 46.3002 -24.091 -18.8502 GPRESSAVG: 4242200 43.9848 -10.6521 48.116 -10.6215 -10.2547 -23.263 46.8822 -22.8672 -19.155 TIMING: 4242200 CPU: 12282.5, 0.00289357/step Wall: 12282.5, 0.00289357/step, 0.609096 hours remaining, 211.699219 MB of memory in use. ENERGY: 4242200 756.6399 2007.3147 1973.1706 114.7037 -205990.9522 17651.1192 0.0000 0.0000 34650.0861 -148837.9180 302.6078 -183488.0041 -148743.6776 300.8353 -117.1323 -85.0563 559558.9975 4.9085 4.8584 PRESSURE: 4242400 -128.397 -73.4596 17.7626 -73.4592 -200.819 35.4448 17.7632 35.4442 -14.1081 GPRESSURE: 4242400 -103.624 -129.058 84.8348 59.4538 -141.761 115.945 37.8897 29.0338 -5.98 PRESSAVG: 4242400 -0.303577 -17.8262 37.3808 -17.8262 -35.2461 -11.8525 37.3807 -11.8525 40.8825 GPRESSAVG: 4242400 0.490602 -17.8742 38.9817 -17.6552 -36.3386 -12.3715 33.8258 -9.77266 41.4451 TIMING: 4242400 CPU: 12283.1, 0.00288483/step Wall: 12283.1, 0.00288483/step, 0.607097 hours remaining, 211.699219 MB of memory in use. ENERGY: 4242400 759.1157 2103.5962 1977.9633 112.4202 -205944.9605 17773.7610 0.0000 0.0000 34446.5722 -148771.5320 300.8305 -183218.1042 -148673.4180 301.1110 -114.4416 -83.7882 558601.7638 1.7776 1.8657 PRESSURE: 4242600 -11.1204 59.7578 -48.1845 59.7572 -200.099 -110.137 -48.1853 -110.138 -151.072 GPRESSURE: 4242600 -35.2375 -4.54032 -20.4915 16.9791 -157.637 -72.0994 -27.7168 -89.2934 -68.6962 PRESSAVG: 4242600 3.87154 19.3673 1.25105 19.3673 -59.2003 -43.5204 1.25099 -43.5204 30.3496 GPRESSAVG: 4242600 4.01746 20.5448 -0.295706 17.8455 -58.7222 -44.238 4.87275 -44.3785 29.9189 TIMING: 4242600 CPU: 12283.7, 0.00288939/step Wall: 12283.7, 0.00288939/step, 0.607895 hours remaining, 211.699219 MB of memory in use. ENERGY: 4242600 708.4026 2104.7491 1951.6983 116.6140 -205636.0705 17646.2466 0.0000 0.0000 34376.6604 -148731.6995 300.2199 -183108.3599 -148640.9661 301.5386 -120.7636 -87.1903 559433.7225 -8.3264 -8.2619 PRESSURE: 4242800 -247.381 -99.1585 178.773 -99.1585 -2.79355 -58.0055 178.773 -58.0062 -171.35 GPRESSURE: 4242800 -226.86 -185.906 191.492 -90.0404 36.8513 -51.8617 118.064 -100.962 -134.851 PRESSAVG: 4242800 14.392 10.1357 -27.2492 10.1357 4.08364 3.09952 -27.2493 3.09959 -40.8172 GPRESSAVG: 4242800 14.4721 10.906 -28.291 10.8544 2.84502 3.14332 -30.2153 3.69092 -39.9916 TIMING: 4242800 CPU: 12284.3, 0.00287352/step Wall: 12284.3, 0.00287352/step, 0.604398 hours remaining, 211.699219 MB of memory in use. ENERGY: 4242800 758.7220 2097.4279 1944.7962 111.1625 -205512.0077 17527.2393 0.0000 0.0000 34303.0825 -148769.5773 299.5774 -183072.6598 -148677.2835 300.1792 -140.5081 -108.2864 558199.1629 -7.4472 -7.5582 PRESSURE: 4243000 -19.5982 36.7993 93.5488 36.8004 314.067 36.689 93.5509 36.6856 137.926 GPRESSURE: 4243000 -8.28043 133.525 138.644 12.9044 337.557 38.542 96.0367 137.298 192.33 PRESSAVG: 4243000 21.8883 21.4943 -53.9687 21.4944 65.5315 -42.2629 -53.9687 -42.2629 -23.509 GPRESSAVG: 4243000 22.0353 20.8144 -52.3353 21.8271 66.2305 -41.5609 -54.1903 -43.518 -24.0003 TIMING: 4243000 CPU: 12284.8, 0.0028855/step Wall: 12284.8, 0.00288549/step, 0.606755 hours remaining, 211.699219 MB of memory in use. ENERGY: 4243000 748.5660 2117.4059 1945.5108 123.5946 -206292.0885 17979.4971 0.0000 0.0000 34389.1439 -148988.3703 300.3289 -183377.5142 -148895.3687 300.6810 144.1318 173.8686 555483.7154 21.3036 21.4219 PRESSURE: 4243200 -194.74 -108.422 95.6972 -108.422 -266.644 -52.923 95.6974 -52.9213 -151.207 GPRESSURE: 4243200 -197.605 -50.9979 121.2 -123.618 -236.25 -36.3125 23.8595 -56.3275 -91.6045 PRESSAVG: 4243200 35.223 -40.0877 33.5254 -40.0877 -6.90135 4.52614 33.5255 4.52622 -57.0847 GPRESSAVG: 4243200 34.5705 -41.4803 32.4905 -39.4979 -7.26568 3.69888 33.5278 4.92772 -56.0936 TIMING: 4243200 CPU: 12285.4, 0.00286958/step Wall: 12285.4, 0.00286958/step, 0.603249 hours remaining, 211.699219 MB of memory in use. ENERGY: 4243200 758.4721 2135.6568 1933.9303 105.2422 -205917.4057 17565.5095 0.0000 0.0000 34333.4980 -149085.0969 299.8430 -183418.5949 -148995.0306 300.4372 -204.1969 -175.1529 558210.8397 -9.5877 -9.5963 PRESSURE: 4243400 166.228 -37.876 -40.1785 -37.8772 65.0672 -63.0356 -40.1785 -63.0334 114.941 GPRESSURE: 4243400 187.524 -94.8338 -16.4651 -7.81358 98.8234 -96.8426 -120.365 -100.076 144.878 PRESSAVG: 4243400 70.7786 -33.6038 27.7457 -33.6039 -10.9771 16.1261 27.7456 16.1261 -78.369 GPRESSAVG: 4243400 70.4066 -33.3051 29.6947 -33.2456 -10.9876 16.554 26.5918 14.7825 -78.6629 TIMING: 4243400 CPU: 12286, 0.00286794/step Wall: 12286, 0.00286794/step, 0.602745 hours remaining, 211.699219 MB of memory in use. ENERGY: 4243400 782.2908 2086.5276 1946.7805 111.0704 -206199.5893 18010.0351 0.0000 0.0000 34310.2373 -148952.6477 299.6398 -183262.8849 -148857.5216 299.6488 115.4120 143.7419 556324.5976 -6.1892 -6.4146 PRESSURE: 4243600 -69.6527 123.437 16.2562 123.437 -318.563 161.141 16.2574 161.142 -36.0567 GPRESSURE: 4243600 -5.65475 114.47 26.2265 98.4162 -327.132 231.085 19.5172 94.6227 4.60847 PRESSAVG: 4243600 26.8297 12.106 -16.5082 12.106 -32.2951 56.7263 -16.5081 56.7263 1.95242 GPRESSAVG: 4243600 27.5503 11.6167 -19.2507 12.0981 -33.2665 55.7595 -13.4961 57.802 1.60803 TIMING: 4243600 CPU: 12286.6, 0.0028794/step Wall: 12286.6, 0.0028794/step, 0.604995 hours remaining, 211.699219 MB of memory in use. ENERGY: 4243600 798.8273 2067.6900 1928.3207 110.6232 -206056.8713 17685.0135 0.0000 0.0000 34456.2906 -149010.1059 300.9154 -183466.3965 -148916.3693 300.0726 -141.4242 -109.3927 558192.8674 -1.1710 -1.3694 PRESSURE: 4243800 99.106 -50.1387 30.5345 -50.1377 72.5594 109.457 30.5346 109.458 -35.0411 GPRESSURE: 4243800 185.321 -12.375 28.3912 -110.491 88.6786 93.1347 57.036 125.992 -40.1772 PRESSAVG: 4243800 39.4951 34.9113 -73.6246 34.9114 24.9946 19.0027 -73.6247 19.0026 -59.0121 GPRESSAVG: 4243800 37.237 36.5582 -73.7601 34.1893 27.2936 17.5951 -75.1049 19.7167 -59.2267 TIMING: 4243800 CPU: 12287.1, 0.00288744/step Wall: 12287.1, 0.00288743/step, 0.606522 hours remaining, 211.699219 MB of memory in use. ENERGY: 4243800 743.9029 2095.5383 1972.5061 110.5304 -206319.6588 17954.3234 0.0000 0.0000 34497.1490 -148945.7087 301.2722 -183442.8577 -148846.6380 300.3685 45.5414 77.9409 557451.9843 1.8258 1.7680 PRESSURE: 4244000 -101.038 -102.937 -16.9083 -102.937 -220.446 81.3446 -16.9084 81.3438 -111.613 GPRESSURE: 4244000 -74.3415 -144.696 20.4087 -138.232 -158.257 99.7731 -18.9392 85.0611 -107.084 PRESSAVG: 4244000 0.709993 -5.99321 -32.9819 -5.99325 3.9039 40.6067 -32.982 40.6067 -33.5505 GPRESSAVG: 4244000 1.55955 -5.73197 -32.7161 -7.88638 2.73415 41.4369 -32.9734 39.8558 -33.5496 TIMING: 4244000 CPU: 12287.7, 0.00287179/step Wall: 12287.7, 0.00287179/step, 0.603077 hours remaining, 211.699219 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: 4244000 819.9947 2060.9891 1973.1337 108.6220 -205905.7076 17734.7847 0.0000 0.0000 34073.1899 -149134.9935 297.5696 -183208.1834 -149037.6468 299.7768 -144.3658 -113.2274 558927.5252 -9.6455 -9.7520 PRESSURE: 4244200 -475.054 -91.3434 -128.188 -91.3432 -425.109 -9.28425 -128.188 -9.28299 -125.737 GPRESSURE: 4244200 -384.875 -73.5587 -142.426 -68.7752 -427.33 -22.7538 -142.504 -21.2165 -114.835 PRESSAVG: 4244200 -8.14045 -14.4352 6.31536 -14.4352 16.9902 -33.7221 6.31531 -33.7222 26.0533 GPRESSAVG: 4244200 -6.91719 -14.9934 6.08139 -14.0836 16.4988 -31.74 7.00598 -34.5752 25.5935 TIMING: 4244200 CPU: 12288.3, 0.00288753/step Wall: 12288.3, 0.00288753/step, 0.606222 hours remaining, 211.699219 MB of memory in use. ENERGY: 4244200 733.7345 2063.2592 1970.6913 116.9332 -205449.1110 17212.2152 0.0000 0.0000 34141.3915 -149210.8862 298.1653 -183352.2777 -149109.8445 299.3137 -341.9667 -309.0134 558635.9990 11.6343 11.7250 LDB: ============= START OF LOAD BALANCING ============== 12291.7 LDB: ============== END OF LOAD BALANCING =============== 12291.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12291.7 LDB: ============= START OF LOAD BALANCING ============== 12292 LDB: Largest compute 4773 load 0.024354 is 20.6% of average load 0.118078 LDB: Average compute 0.001728 is 1.5% of average load 0.118078 LDB: TIME 12292 LOAD: AVG 0.118078 MAX 0.180855 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.113 MB LDB: TIME 12292 LOAD: AVG 0.118078 MAX 0.180855 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.312 MB LDB: TIME 12292 LOAD: AVG 0.118078 MAX 0.180855 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12292 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12292 PRESSURE: 4244400 1.73599 7.89079 -57.7848 7.89037 -204.232 -82.5711 -57.7839 -82.5707 -154.78 GPRESSURE: 4244400 66.4477 29.9635 -83.5305 23.3315 -190.763 -41.3596 5.60145 -76.8019 -138.888 PRESSAVG: 4244400 -30.3559 44.2586 4.32809 44.2585 -59.826 3.18496 4.32811 3.18502 71.6228 GPRESSAVG: 4244400 -29.3271 43.0512 5.61166 44.0442 -60.309 3.1103 2.44479 4.61784 70.6955 TIMING: 4244400 CPU: 12288.9, 0.0029405/step Wall: 12288.9, 0.0029405/step, 0.617179 hours remaining, 209.773438 MB of memory in use. ENERGY: 4244400 725.4182 2099.9931 1939.2964 108.8023 -205899.1071 17601.4105 0.0000 0.0000 34161.3569 -149262.8297 298.3396 -183424.1866 -149172.0330 299.1801 -119.0920 -87.7345 557158.0567 -6.1864 -6.3135 PRESSURE: 4244600 -70.5997 -73.0345 34.72 -73.034 262.496 109.292 34.7188 109.292 -50.3363 GPRESSURE: 4244600 -60.7079 -87.3558 92.0067 -19.2955 245.495 160.312 15.1934 85.8087 48.8984 PRESSAVG: 4244600 -79.3774 61.0293 -22.9473 61.0293 -0.13067 52.7124 -22.9473 52.7123 74.5926 GPRESSAVG: 4244600 -80.0934 60.9509 -23.5887 63.101 -0.0727021 52.5041 -21.8164 53.0613 75.6179 TIMING: 4244600 CPU: 12289.5, 0.00290176/step Wall: 12289.5, 0.00290176/step, 0.608887 hours remaining, 209.773438 MB of memory in use. ENERGY: 4244600 735.9530 2072.4420 1932.0080 122.5491 -206192.4218 17847.3461 0.0000 0.0000 34179.9399 -149302.1838 298.5019 -183482.1236 -149208.1436 299.0177 47.1866 77.8951 556906.5911 -1.6385 -1.5161 PRESSURE: 4244800 -33.3055 -70.1322 3.14327 -70.1331 90.1472 -157.612 3.14404 -157.61 37.214 GPRESSURE: 4244800 -1.18234 -67.5838 -25.3495 -140.685 149.459 -109.137 -4.75193 -120.695 38.962 PRESSAVG: 4244800 18.4682 -35.5115 0.611289 -35.5115 -22.1584 60.7441 0.611272 60.7442 2.58306 GPRESSAVG: 4244800 18.5394 -34.9406 0.773492 -35.0288 -22.3749 61.3233 -0.658773 57.6315 3.30803 TIMING: 4244800 CPU: 12290, 0.00289208/step Wall: 12290, 0.00289208/step, 0.606694 hours remaining, 209.773438 MB of memory in use. ENERGY: 4244800 759.6873 2091.4664 1951.0698 103.3709 -206550.7006 17818.7536 0.0000 0.0000 34400.3313 -149426.0215 300.4266 -183826.3528 -149326.7667 298.8376 31.3519 62.4130 555250.8453 -0.3691 -0.1758 PRESSURE: 4245000 48.517 35.6135 -53.8126 35.6125 -257.75 135.482 -53.8131 135.483 198.415 GPRESSURE: 4245000 106.545 32.5853 -51.956 -1.74888 -227.354 118.052 -60.6636 123.345 209.322 PRESSAVG: 4245000 30.9895 1.53479 52.3799 1.53462 -62.1448 11.5745 52.3799 11.5747 5.0605 GPRESSAVG: 4245000 31.1178 1.28424 51.7628 0.230614 -61.5041 10.3505 52.9506 13.8686 4.25385 TIMING: 4245000 CPU: 12290.6, 0.00287638/step Wall: 12290.6, 0.00287638/step, 0.60324 hours remaining, 209.773438 MB of memory in use. ENERGY: 4245000 709.4848 2056.3072 1944.3363 114.1944 -206183.0522 17741.7533 0.0000 0.0000 34372.3645 -149244.6118 300.1824 -183616.9762 -149141.6687 298.9213 -3.6059 29.5046 555605.0462 -8.6983 -8.7108 PRESSURE: 4245200 -77.0433 73.3709 -126.763 73.3712 68.101 -136.649 -126.764 -136.649 79.0579 GPRESSURE: 4245200 -21.0998 18.6642 -36.2518 129.607 84.9723 -149.65 -253.899 -80.1852 106.636 PRESSAVG: 4245200 28.0512 -3.33782 31.0526 -3.33774 -9.08741 -71.4264 31.0525 -71.4265 19.5136 GPRESSAVG: 4245200 28.3136 -5.06836 30.0229 -1.39836 -9.58838 -71.5692 33.6881 -74.4297 19.6273 TIMING: 4245200 CPU: 12291.2, 0.00286505/step Wall: 12291.2, 0.00286505/step, 0.600706 hours remaining, 209.773438 MB of memory in use. ENERGY: 4245200 756.4261 2082.5422 1945.3030 125.8005 -206015.4002 17824.5396 0.0000 0.0000 34207.6002 -149073.1886 298.7435 -183280.7888 -148989.0145 299.4121 23.3719 56.8360 557012.9933 12.8258 12.7842 PRESSURE: 4245400 63.4958 -60.8145 -104.445 -60.8157 80.0744 -90.7289 -104.446 -90.7286 342.921 GPRESSURE: 4245400 96.2432 -89.2744 -140.667 -98.9715 136.041 -54.7772 -59.5423 -63.0708 358.109 PRESSAVG: 4245400 -8.73955 -39.0062 14.4679 -39.0062 -17.5286 -18.5785 14.4678 -18.5785 71.392 GPRESSAVG: 4245400 -9.70507 -35.2602 14.8192 -39.438 -17.0111 -17.0949 12.8158 -17.5576 71.8324 TIMING: 4245400 CPU: 12291.8, 0.00287425/step Wall: 12291.8, 0.00287425/step, 0.602475 hours remaining, 209.773438 MB of memory in use. ENERGY: 4245400 770.9691 2063.5680 1948.3473 132.3666 -206284.4176 18066.6781 0.0000 0.0000 34307.6160 -148994.8725 299.6169 -183302.4885 -148900.2581 300.1527 162.1637 196.7975 556755.4715 15.0413 15.0387 PRESSURE: 4245600 -86.4857 -30.3203 -13.5072 -30.3197 -37.3428 -46.5105 -13.5049 -46.5119 62.4666 GPRESSURE: 4245600 -18.2645 -4.61913 -4.21199 -45.9192 -36.5641 1.94422 -19.8965 -84.061 99.1287 PRESSAVG: 4245600 43.3334 -29.7026 -9.37462 -29.7025 -28.0803 5.13555 -9.3746 5.13558 17.5698 GPRESSAVG: 4245600 44.8993 -30.2863 -8.86915 -31.7457 -28.4827 3.96761 -10.3099 6.5327 15.9963 TIMING: 4245600 CPU: 12292.3, 0.00285851/step Wall: 12292.3, 0.00285851/step, 0.599016 hours remaining, 209.773438 MB of memory in use. ENERGY: 4245600 775.9173 2068.4317 1956.3259 122.7273 -206116.1732 17868.0701 0.0000 0.0000 34417.5791 -148907.1217 300.5773 -183324.7008 -148814.6953 299.8156 -20.4540 14.7667 557902.6497 10.9410 10.8043 PRESSURE: 4245800 -228.687 -72.0764 60.2366 -72.0766 28.8205 221.978 60.2354 221.98 -112.196 GPRESSURE: 4245800 -210.48 58.0114 91.3591 -231.664 78.5683 189.699 -6.77868 169.891 -77.0394 PRESSAVG: 4245800 -43.1192 -36.9045 32.0964 -36.9045 -15.7576 68.0186 32.0964 68.0186 17.0028 GPRESSAVG: 4245800 -44.792 -38.6978 32.1299 -35.4732 -15.0016 67.4168 32.3643 68.4952 17.7555 TIMING: 4245800 CPU: 12292.9, 0.0028523/step Wall: 12292.9, 0.0028523/step, 0.597556 hours remaining, 209.773438 MB of memory in use. ENERGY: 4245800 792.1122 2083.5584 1959.5335 111.0107 -206113.3993 17968.9097 0.0000 0.0000 34325.7190 -148872.5557 299.7750 -183198.2748 -148773.6263 300.0904 -104.0207 -69.6503 559598.0317 -13.9580 -14.0127 PRESSURE: 4246000 -274.848 -14.9537 -19.2264 -14.9522 -58.6043 11.7355 -19.226 11.7356 38.1768 GPRESSURE: 4246000 -242.997 73.0911 -16.5878 -104.034 45.6792 1.02526 -0.00987144 100.31 -11.8132 PRESSAVG: 4246000 -30.8163 -6.73813 -49.4878 -6.73814 1.26004 13.7293 -49.4878 13.7294 15.8663 GPRESSAVG: 4246000 -30.8373 -7.35073 -50.4669 -5.74706 0.21306 13.139 -48.4919 14.626 16.3187 TIMING: 4246000 CPU: 12293.5, 0.00286269/step Wall: 12293.5, 0.00286269/step, 0.599574 hours remaining, 209.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4246000 739.1030 2073.6206 1920.7297 123.0979 -205447.8998 17471.5243 0.0000 0.0000 34338.0318 -148781.7926 299.8826 -183119.8244 -148690.5351 299.8349 -98.4251 -69.7103 558441.6555 -4.5633 -4.7685 PRESSURE: 4246200 -140.739 -114.93 191.767 -114.929 238.905 -163.53 191.767 -163.53 -120.727 GPRESSURE: 4246200 -115.184 -60.5039 160.723 -155.379 279.391 -114.654 186.932 -138.245 -97.715 PRESSAVG: 4246200 -44.4762 -2.14371 -5.65644 -2.14373 50.6316 63.6832 -5.65638 63.6832 -31.0557 GPRESSAVG: 4246200 -43.2998 0.330753 -5.60252 -3.5865 50.6525 64.5972 -5.42443 61.8938 -31.9492 TIMING: 4246200 CPU: 12294, 0.00285182/step Wall: 12294, 0.00285182/step, 0.597139 hours remaining, 209.773438 MB of memory in use. ENERGY: 4246200 750.0467 2100.4767 1961.1994 113.9966 -205963.7980 17870.1361 0.0000 0.0000 34185.1059 -148982.8367 298.5470 -183167.9425 -148878.5994 300.0931 -7.5204 22.1642 558945.1105 -8.3001 -8.1988 PRESSURE: 4246400 -473.653 -111.6 -21.4594 -111.6 -322.261 -43.5263 -21.4618 -43.5278 -378.877 GPRESSURE: 4246400 -457.069 -3.45681 -35.0226 -174.002 -282.294 -38.4086 -62.214 -51.5966 -327.93 PRESSAVG: 4246400 -49.9345 -62.7096 0.790146 -62.7096 4.76204 4.38204 0.79012 4.38203 53.9987 GPRESSAVG: 4246400 -49.9753 -62.4292 1.46018 -61.1787 4.70463 4.67578 -0.919984 3.94007 54.2026 TIMING: 4246400 CPU: 12294.6, 0.0028723/step Wall: 12294.6, 0.0028723/step, 0.601267 hours remaining, 209.773438 MB of memory in use. ENERGY: 4246400 778.9262 2077.3895 1928.0124 119.7011 -205727.1100 17449.5669 0.0000 0.0000 34369.2429 -149004.2709 300.1551 -183373.5138 -148912.4847 299.5979 -391.5969 -355.7643 559355.0187 2.9421 2.9773 PRESSURE: 4246600 121.985 99.9428 14.2219 99.942 -211.228 12.0308 14.2222 12.03 -231.144 GPRESSURE: 4246600 119.046 80.9406 -58.6714 54.4394 -176.494 -8.14123 79.6782 67.2853 -166.433 PRESSAVG: 4246600 -7.90406 -29.459 10.6017 -29.459 -25.3085 15.7395 10.6018 15.7394 9.44237 GPRESSAVG: 4246600 -8.17884 -32.0514 10.6064 -30.9965 -24.3198 15.0695 12.1106 17.2761 8.76385 TIMING: 4246600 CPU: 12295.2, 0.00286577/step Wall: 12295.2, 0.00286577/step, 0.599742 hours remaining, 209.843750 MB of memory in use. ENERGY: 4246600 766.4043 2035.0893 1969.2965 110.7208 -205777.6505 17525.3991 0.0000 0.0000 34318.3503 -149052.3902 299.7107 -183370.7405 -148949.5719 300.6931 -106.7957 -74.6271 556600.5453 -7.9234 -7.9116 PRESSURE: 4246800 119.734 39.0264 -254.595 39.0278 -134.7 -105.695 -254.595 -105.694 47.455 GPRESSURE: 4246800 138.212 -23.772 -219.616 -50.3502 -137.03 -97.1362 -250.915 -67.1943 121.803 PRESSAVG: 4246800 -10.4257 -39.5003 2.11065 -39.5004 2.23102 -35.7284 2.11068 -35.7284 33.7607 GPRESSAVG: 4246800 -10.2108 -36.604 3.7092 -38.3423 1.54167 -35.9693 0.417864 -37.7091 34.6261 TIMING: 4246800 CPU: 12295.8, 0.00288383/step Wall: 12295.8, 0.00288383/step, 0.603362 hours remaining, 209.843750 MB of memory in use. ENERGY: 4246800 778.6697 2086.4983 1935.9414 111.6449 -206330.2424 18021.9251 0.0000 0.0000 34286.9583 -149108.6047 299.4365 -183395.5630 -149017.8731 299.8631 10.8297 40.9950 558191.1319 8.5220 8.6524 PRESSURE: 4247000 -96.024 10.7526 -14.1983 10.7549 -258.411 -181.542 -14.1982 -181.544 -140.362 GPRESSURE: 4247000 -83.7421 -53.2945 -49.8951 -54.5491 -208.584 -217.326 39.5963 -144.551 -100.876 PRESSAVG: 4247000 -63.8345 30.9762 -88.5809 30.9763 1.53303 -63.3158 -88.5808 -63.3156 54.404 GPRESSAVG: 4247000 -63.7325 29.7068 -90.0997 30.031 1.23572 -63.1381 -86.2853 -62.3868 54.4475 TIMING: 4247000 CPU: 12296.4, 0.00288592/step Wall: 12296.4, 0.00288592/step, 0.603639 hours remaining, 209.843750 MB of memory in use. ENERGY: 4247000 751.6859 2065.3670 1958.0170 121.1179 -205903.3012 17441.0268 0.0000 0.0000 34289.1690 -149276.9175 299.4558 -183566.0866 -149175.4607 299.5104 -164.9322 -131.0674 556631.8359 -2.6325 -2.6831 PRESSURE: 4247200 136.042 -55.979 18.0178 -55.9818 48.136 -45.598 18.0181 -45.5981 141.163 GPRESSURE: 4247200 150.386 -4.32839 32.4288 -139.178 97.5647 31.2892 101.604 -77.9074 172.872 PRESSAVG: 4247200 17.8653 1.33917 13.5973 1.33915 -39.5343 8.56224 13.5974 8.56226 50.2989 GPRESSAVG: 4247200 17.159 1.73298 12.7434 1.43023 -39.4311 10.2217 12.5953 6.72546 50.6493 TIMING: 4247200 CPU: 12296.9, 0.00287617/step Wall: 12296.9, 0.00287617/step, 0.601438 hours remaining, 209.843750 MB of memory in use. ENERGY: 4247200 725.0186 2069.6045 1951.6113 107.3550 -206357.4729 17883.6061 0.0000 0.0000 34317.4762 -149302.8012 299.7031 -183620.2774 -149208.1671 299.1262 108.4471 140.2742 556756.8709 9.5433 9.4591 PRESSURE: 4247400 37.5243 -230.144 -1.76233 -230.144 112.697 11.6395 -1.76248 11.6389 -375.221 GPRESSURE: 4247400 58.9349 -198.05 -24.0964 -223.906 160.714 78.3151 69.1362 -37.834 -354.598 PRESSAVG: 4247400 43.0819 -38.2066 21.8419 -38.2065 -7.24081 -24.6118 21.8418 -24.6118 -51.2491 GPRESSAVG: 4247400 42.961 -37.936 21.5331 -37.6259 -7.45589 -26.5739 23.2735 -23.773 -51.8147 TIMING: 4247400 CPU: 12297.5, 0.0028827/step Wall: 12297.5, 0.0028827/step, 0.602645 hours remaining, 209.843750 MB of memory in use. ENERGY: 4247400 750.5540 2101.7509 1955.9482 112.8936 -206319.0655 17846.2393 0.0000 0.0000 34209.2698 -149342.4097 298.7581 -183551.6795 -149249.0946 298.9676 -75.0000 -44.9831 557898.6810 -5.1360 -5.4365 PRESSURE: 4247600 -18.1563 184.697 -155.566 184.697 -137.191 213.64 -155.566 213.64 246.487 GPRESSURE: 4247600 10.8349 151.111 -198.605 244.726 -97.9168 239.175 -86.5862 175.636 266.214 PRESSAVG: 4247600 -75.757 -11.12 60.4732 -11.12 59.1281 30.7454 60.4731 30.7454 18.1519 GPRESSAVG: 4247600 -75.6601 -9.52639 59.5848 -11.386 59.3979 31.4585 59.5926 30.8021 17.6778 TIMING: 4247600 CPU: 12298.1, 0.00287164/step Wall: 12298.1, 0.00287164/step, 0.600173 hours remaining, 209.843750 MB of memory in use. ENERGY: 4247600 726.9722 2048.3501 1950.3204 109.5713 -206563.5285 18008.1075 0.0000 0.0000 34410.4257 -149309.7813 300.5148 -183720.2071 -149216.6908 298.9999 30.3798 59.7106 557507.2124 0.5077 0.4719 PRESSURE: 4247800 -107.834 28.3653 45.5912 28.3656 410.025 96.8692 45.592 96.8679 32.8958 GPRESSURE: 4247800 -70.2116 165.419 25.477 -46.944 450.272 30.3639 31.1715 88.0802 57.2035 PRESSAVG: 4247800 -18.7481 12.8308 6.46761 12.8307 1.53696 0.959531 6.46758 0.959474 -6.68901 GPRESSAVG: 4247800 -18.5581 11.4037 7.63486 11.1911 0.477217 0.6476 5.26899 2.73832 -5.84452 TIMING: 4247800 CPU: 12298.6, 0.00286722/step Wall: 12298.6, 0.00286722/step, 0.59909 hours remaining, 209.843750 MB of memory in use. ENERGY: 4247800 708.8580 2097.3926 1957.8851 118.3043 -206831.0455 18201.4496 0.0000 0.0000 34319.3796 -149427.7762 299.7197 -183747.1558 -149335.5116 298.6509 111.6957 145.7547 557203.2032 -7.9667 -7.9751 PRESSURE: 4248000 -6.13004 176.964 103.125 176.963 -215.823 -22.5718 103.124 -22.5705 122.568 GPRESSURE: 4248000 7.10819 98.5625 61.6325 176.872 -210.608 33.7003 151.243 -112.157 203.342 PRESSAVG: 4248000 -25.0521 10.311 -23.1403 10.311 -71.7962 46.6473 -23.1403 46.6474 61.8006 GPRESSAVG: 4248000 -24.5022 8.91048 -23.2882 13.3482 -70.9508 46.2586 -22.8472 45.634 60.258 TIMING: 4248000 CPU: 12299.2, 0.00285156/step Wall: 12299.2, 0.00285156/step, 0.595658 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4248000 696.4029 2076.7952 1938.9120 120.8582 -205807.0246 17707.4943 0.0000 0.0000 33970.3831 -149296.1790 296.6718 -183266.5621 -149203.2873 299.2566 -33.1281 -0.0526 559132.9265 -11.6826 -11.7316 PRESSURE: 4248200 30.9091 76.5943 -58.8498 76.5952 -0.996776 51.231 -58.8501 51.2322 79.4778 GPRESSURE: 4248200 88.0356 65.7578 -23.4478 67.8264 3.43231 52.9302 -91.0894 25.5259 111.147 PRESSAVG: 4248200 7.10842 39.0744 -26.8128 39.0744 -57.4615 -30.4359 -26.8128 -30.4359 57.3694 GPRESSAVG: 4248200 6.49542 40.5677 -26.3505 38.0378 -57.9152 -28.6959 -27.8146 -32.0245 58.9669 TIMING: 4248200 CPU: 12299.8, 0.00287665/step Wall: 12299.8, 0.00287665/step, 0.60074 hours remaining, 209.843750 MB of memory in use. ENERGY: 4248200 743.5725 2096.5211 1941.2557 107.8729 -206546.0227 18017.8911 0.0000 0.0000 34345.0042 -149293.9052 299.9435 -183638.9094 -149187.5969 298.5656 36.4634 67.5381 558986.0473 2.3388 2.5157 LDB: ============= START OF LOAD BALANCING ============== 12303.2 LDB: ============== END OF LOAD BALANCING =============== 12303.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12303.2 LDB: ============= START OF LOAD BALANCING ============== 12303.5 LDB: Largest compute 4773 load 0.025131 is 21.3% of average load 0.118056 LDB: Average compute 0.001731 is 1.5% of average load 0.118056 LDB: TIME 12303.5 LOAD: AVG 0.118056 MAX 0.180658 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 12303.5 LOAD: AVG 0.118056 MAX 0.180658 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.074 MB LDB: TIME 12303.5 LOAD: AVG 0.118056 MAX 0.180658 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.074 MB LDB: ============== END OF LOAD BALANCING =============== 12303.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12303.5 PRESSURE: 4248400 -283.283 235.669 -244.165 235.668 -169.915 -179.437 -244.164 -179.437 -71.3915 GPRESSURE: 4248400 -205.636 278.218 -187.468 211.943 -161.086 -117.234 -300.594 -211.209 -63.4084 PRESSAVG: 4248400 -81.8169 29.4166 -51.4026 29.4166 57.4854 -107.235 -51.4027 -107.235 -21.0981 GPRESSAVG: 4248400 -81.1544 28.1302 -50.4313 30.9666 57.1104 -107.322 -50.5686 -105.183 -21.0255 TIMING: 4248400 CPU: 12300.4, 0.00292969/step Wall: 12300.4, 0.00292969/step, 0.611654 hours remaining, 211.894531 MB of memory in use. ENERGY: 4248400 719.0966 2086.8102 1950.9693 109.1404 -206089.1152 17792.3696 0.0000 0.0000 34023.3889 -149407.3402 297.1347 -183430.7291 -149304.5583 298.3686 -174.8633 -143.3770 559832.8475 -15.1432 -15.0232 PRESSURE: 4248600 -176.696 -209.952 65.8882 -209.952 -20.7412 -110.657 65.8885 -110.657 -34.6368 GPRESSURE: 4248600 -76.0388 -124.978 84.6403 -220.334 -57.7768 -191.397 -5.34611 -23.7015 3.7635 PRESSAVG: 4248600 -71.8403 11.6857 4.85466 11.6857 -24.8514 -26.9472 4.85478 -26.9474 63.386 GPRESSAVG: 4248600 -71.5845 12.7149 4.00516 12.4115 -24.3922 -29.9105 4.45373 -26.4685 63.0183 TIMING: 4248600 CPU: 12301, 0.00290079/step Wall: 12301, 0.00290079/step, 0.60546 hours remaining, 212.097656 MB of memory in use. ENERGY: 4248600 726.8808 2108.4631 1941.4444 108.9844 -205968.2146 17719.8627 0.0000 0.0000 34051.4790 -149311.1001 297.3800 -183362.5791 -149219.6081 298.5595 -77.3579 -43.3507 558759.4677 -11.1019 -10.9861 PRESSURE: 4248800 -265.375 -112.234 100.815 -112.234 -210.36 -116.027 100.816 -116.029 -317.772 GPRESSURE: 4248800 -221.75 -150.99 99.8975 -120.827 -201.836 -93.9417 155.604 -82.0606 -260.185 PRESSAVG: 4248800 -11.2293 -22.7425 18.9553 -22.7426 -16.6954 12.7044 18.9554 12.7045 39.1919 GPRESSAVG: 4248800 -12.0134 -23.686 19.8828 -23.9435 -16.5298 12.8324 18.16 12.9783 40.5686 TIMING: 4248800 CPU: 12301.5, 0.00288098/step Wall: 12301.5, 0.00288098/step, 0.601165 hours remaining, 212.097656 MB of memory in use. ENERGY: 4248800 733.2929 2128.3711 1931.8545 101.9976 -205754.9448 17495.3166 0.0000 0.0000 34135.8214 -149228.2906 298.1166 -183364.1120 -149127.9393 298.4515 -264.5025 -227.9234 558857.8056 3.7557 4.0085 PRESSURE: 4249000 13.6476 -124.772 77.2202 -124.772 132.584 8.47381 77.2209 8.47489 90.1038 GPRESSURE: 4249000 97.6556 -137.255 -8.12104 -146.098 177.493 66.4209 97.9965 -44.4337 66.6664 PRESSAVG: 4249000 4.97863 -54.123 -7.45688 -54.123 19.8504 -41.4573 -7.45691 -41.4573 -38.9701 GPRESSAVG: 4249000 5.52119 -54.7953 -7.95543 -54.2199 19.3609 -42.1211 -7.6068 -42.2083 -39.1517 TIMING: 4249000 CPU: 12302.1, 0.00289321/step Wall: 12302.1, 0.00289321/step, 0.603555 hours remaining, 212.097656 MB of memory in use. ENERGY: 4249000 712.4385 2148.5307 1966.0056 108.6872 -206482.3875 17933.9854 0.0000 0.0000 34436.4444 -149176.2957 300.7420 -183612.7401 -149073.1890 299.1333 78.7784 113.9382 557289.5663 -4.7137 -4.7565 PRESSURE: 4249200 -1.63511 -113.866 -80.4259 -113.868 -61.6455 -77.595 -80.4257 -77.5967 -96.2719 GPRESSURE: 4249200 8.69381 -207.872 -51.3472 -129.826 41.7453 -66.899 -49.8005 -73.3408 -104.111 PRESSAVG: 4249200 -48.2169 -62.4207 17.339 -62.4207 33.8861 28.8382 17.3389 28.8384 -2.49351 GPRESSAVG: 4249200 -48.0282 -61.8941 16.2823 -61.9406 34.8886 31.1725 17.5192 28.7975 -3.76038 TIMING: 4249200 CPU: 12302.7, 0.00287819/step Wall: 12302.7, 0.00287819/step, 0.600262 hours remaining, 212.097656 MB of memory in use. ENERGY: 4249200 746.7226 2124.0685 1937.1474 115.0526 -205774.2405 17768.0974 0.0000 0.0000 34032.7398 -149050.4123 297.2164 -183083.1521 -148954.7117 299.4402 -53.1842 -17.8908 558490.2568 -5.6081 -5.6333 PRESSURE: 4249400 -51.002 -58.0704 183.692 -58.0703 137.976 -18.0256 183.692 -18.0247 34.9423 GPRESSURE: 4249400 -6.97926 -54.5388 114.43 -72.0169 210.344 -115.593 199.633 -38.2068 10.231 PRESSAVG: 4249400 -20.5959 -10.4391 66.5028 -10.439 49.0796 20.5432 66.5029 20.5432 -7.35776 GPRESSAVG: 4249400 -21.4135 -9.31571 67.6293 -11.4267 49.7179 18.2735 69.0081 22.2777 -7.20688 TIMING: 4249400 CPU: 12303.3, 0.00287813/step Wall: 12303.3, 0.00287813/step, 0.60009 hours remaining, 212.097656 MB of memory in use. ENERGY: 4249400 767.4265 2096.1055 1958.9140 118.6877 -205950.9856 17750.7269 0.0000 0.0000 34308.9266 -148950.1984 299.6284 -183259.1250 -148852.7392 299.4811 40.6388 71.1986 557715.6335 7.0420 7.0325 PRESSURE: 4249600 -40.7216 -0.99109 -66.6661 -0.99324 -9.91189 24.2332 -66.6661 24.2312 -99.0142 GPRESSURE: 4249600 -12.5694 15.2712 -50.9593 4.33271 -46.3343 31.4523 -106.219 65.5801 0.553007 PRESSAVG: 4249600 35.8871 1.46681 25.8581 1.46685 -48.933 20.8292 25.8581 20.8293 41.2613 GPRESSAVG: 4249600 36.9586 2.03937 23.3704 -0.333885 -50.2671 21.7193 23.5332 20.0208 41.189 TIMING: 4249600 CPU: 12303.8, 0.00290186/step Wall: 12303.8, 0.00290186/step, 0.604877 hours remaining, 212.097656 MB of memory in use. ENERGY: 4249600 730.8046 2096.6784 1942.1376 109.3465 -206034.8431 17761.1656 0.0000 0.0000 34318.2425 -149076.4679 299.7097 -183394.7104 -148975.9611 299.4417 -49.8825 -19.4502 556706.2746 9.4052 9.2935 PRESSURE: 4249800 -21.6979 -186.564 97.2638 -186.563 171.662 160.407 97.2645 160.407 -19.1306 GPRESSURE: 4249800 -31.3351 -244.895 103.276 -201.485 197.469 161.216 1.09197 169.581 62.3936 PRESSAVG: 4249800 57.5855 -13.0178 32.7669 -13.0177 1.0874 22.7431 32.767 22.7432 -66.3756 GPRESSAVG: 4249800 56.3637 -14.2061 36.0946 -12.3388 1.23159 24.2582 31.6172 22.2742 -65.3498 TIMING: 4249800 CPU: 12304.4, 0.00289081/step Wall: 12304.4, 0.00289081/step, 0.602412 hours remaining, 212.097656 MB of memory in use. ENERGY: 4249800 750.2868 2067.8290 1937.2263 129.9145 -206168.8603 17909.0233 0.0000 0.0000 34125.8539 -149248.7266 298.0296 -183374.5805 -149153.4112 299.1187 43.6113 76.1759 555642.5447 -2.5676 -2.5848 PRESSURE: 4250000 -129.754 14.5462 -142.286 14.5454 21.3319 -29.0714 -142.287 -29.0712 -27.5504 GPRESSURE: 4250000 -95.7587 -10.054 -57.141 6.7667 38.3089 -62.4432 -138.961 11.3827 14.0546 PRESSAVG: 4250000 13.6085 -53.6931 4.2271 -53.6931 -4.04266 19.3751 4.22709 19.3751 -5.79526 GPRESSAVG: 4250000 14.5959 -55.4814 1.58825 -52.5548 -5.15204 18.4377 4.73031 18.9601 -6.05922 TIMING: 4250000 CPU: 12305, 0.00289286/step Wall: 12305, 0.00289286/step, 0.602679 hours remaining, 212.097656 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: 4250000 731.2850 2071.4304 1924.6327 104.3627 -205967.6692 17583.2293 0.0000 0.0000 34443.7504 -149108.9788 300.8058 -183552.7292 -149006.6288 299.2480 -45.3242 -14.4651 556784.5075 1.2569 1.1282 PRESSURE: 4250200 67.9973 52.5476 -110.172 52.5478 39.623 -13.4694 -110.172 -13.4704 108.457 GPRESSURE: 4250200 96.4968 65.9185 -138.53 63.9226 131.437 11.6351 -34.7376 23.6374 87.1118 PRESSAVG: 4250200 -6.09633 -28.0089 47.1862 -28.0089 -18.4205 -42.8937 47.1861 -42.8938 21.2577 GPRESSAVG: 4250200 -6.12175 -27.6764 49.1747 -28.8462 -17.8819 -43.0278 48.8843 -42.6438 20.3724 TIMING: 4250200 CPU: 12305.6, 0.00288164/step Wall: 12305.6, 0.00288164/step, 0.600182 hours remaining, 212.097656 MB of memory in use. ENERGY: 4250200 723.4978 2118.1651 1974.3079 110.3924 -206404.0816 17943.8427 0.0000 0.0000 34363.7166 -149170.1591 300.1069 -183533.8757 -149070.1306 299.2165 72.0259 105.0153 557225.3893 -1.0864 -1.2104 PRESSURE: 4250400 26.1284 42.8163 49.374 42.8157 -184.169 85.6945 49.374 85.6923 -195.833 GPRESSURE: 4250400 15.6358 -94.1673 -71.3091 34.9303 -175.863 52.7865 72.3265 17.4471 -97.5083 PRESSAVG: 4250400 4.81374 5.79625 -9.39686 5.79622 -19.3568 10.9658 -9.39685 10.9659 -3.89322 GPRESSAVG: 4250400 4.33649 7.13023 -10.223 5.04563 -18.6873 10.0246 -11.5442 11.7085 -4.02871 TIMING: 4250400 CPU: 12306.2, 0.00287015/step Wall: 12306.2, 0.00287015/step, 0.597629 hours remaining, 212.097656 MB of memory in use. ENERGY: 4250400 753.6478 2040.8586 1959.2971 122.1189 -206091.2817 17764.9030 0.0000 0.0000 34305.4216 -149145.0346 299.5978 -183450.4562 -149046.1350 299.3173 -117.9580 -85.9117 555742.7001 -6.1454 -6.1265 PRESSURE: 4250600 -16.4196 -29.6274 59.8863 -29.6284 62.1993 -49.6006 59.8869 -49.6006 -40.8423 GPRESSURE: 4250600 69.0804 -108.22 114.664 22.697 121.508 -35.1414 -38.8069 -73.9096 -89.7509 PRESSAVG: 4250600 21.6339 24.8559 -2.35266 24.8558 20.6718 -40.7134 -2.35263 -40.7134 -60.122 GPRESSAVG: 4250600 22.8734 25.5648 -1.66234 24.786 19.4356 -40.6748 -1.88304 -38.8149 -60.4802 TIMING: 4250600 CPU: 12306.7, 0.00287482/step Wall: 12306.7, 0.00287482/step, 0.598443 hours remaining, 212.097656 MB of memory in use. ENERGY: 4250600 747.9430 2106.7744 1956.2880 111.3745 -206093.5581 17841.3591 0.0000 0.0000 34325.8677 -149003.9514 299.7763 -183329.8191 -148908.0776 299.5394 1.6458 33.6124 555990.6311 -5.9387 -6.0570 PRESSURE: 4250800 97.0338 85.8408 90.8078 85.8399 58.6906 69.5069 90.8087 69.5079 17.3394 GPRESSURE: 4250800 158.188 98.2599 129.306 154.499 -0.509511 -5.66592 48.9271 68.2655 112.446 PRESSAVG: 4250800 -21.723 4.29003 41.9026 4.29001 -0.862866 19.7829 41.9025 19.783 44.297 GPRESSAVG: 4250800 -24.004 2.63259 41.5559 5.11083 0.567698 20.2513 41.5053 17.3166 44.7898 TIMING: 4250800 CPU: 12307.3, 0.00286485/step Wall: 12307.3, 0.00286485/step, 0.596207 hours remaining, 212.097656 MB of memory in use. ENERGY: 4250800 714.2254 2085.8872 1954.4529 113.6641 -205982.5127 17689.3371 0.0000 0.0000 34308.1579 -149116.7881 299.6217 -183424.9460 -149022.6656 299.8038 57.6879 90.0415 556240.6977 7.2371 7.1178 PRESSURE: 4251000 64.7934 -24.7903 -7.10498 -24.7908 -42.495 58.2516 -7.10599 58.2505 339.487 GPRESSURE: 4251000 170.649 -18.9075 7.58274 -49.031 -65.0724 146.325 -47.3586 -38.0053 359.569 PRESSAVG: 4251000 -61.7115 -14.7952 49.7933 -14.7953 14.2303 -56.3556 49.7932 -56.3556 14.3892 GPRESSAVG: 4251000 -60.8828 -16.6689 48.4902 -14.1525 13.4343 -58.1783 51.7175 -56.9491 14.2956 TIMING: 4251000 CPU: 12307.9, 0.00286485/step Wall: 12307.9, 0.00286485/step, 0.596047 hours remaining, 212.097656 MB of memory in use. ENERGY: 4251000 717.1822 2117.6578 1951.7818 123.2238 -206132.4322 17819.9964 0.0000 0.0000 34336.3274 -149066.2629 299.8677 -183402.5903 -148973.4104 299.9532 120.5950 155.0485 556111.7671 -11.0307 -11.0509 PRESSURE: 4251200 -14.0615 59.8257 117.588 59.8248 73.879 -175.719 117.588 -175.719 202.439 GPRESSURE: 4251200 22.9574 72.3301 71.1451 100.19 84.9163 -202.477 160.286 -215.788 255.041 PRESSAVG: 4251200 -98.7165 -42.4663 -22.8526 -42.4663 2.48118 -12.0929 -22.8527 -12.093 89.7244 GPRESSAVG: 4251200 -98.6062 -40.7173 -21.6869 -45.0934 1.6439 -11.3538 -25.6061 -10.1604 90.2891 TIMING: 4251200 CPU: 12308.5, 0.00288939/step Wall: 12308.5, 0.00288939/step, 0.600993 hours remaining, 212.097656 MB of memory in use. ENERGY: 4251200 773.2022 2117.3298 1937.2539 114.8058 -206376.8133 18006.8932 0.0000 0.0000 34243.7183 -149183.6101 299.0589 -183427.3283 -149093.2049 299.0159 87.4190 120.9714 556316.9476 -2.1703 -2.2244 PRESSURE: 4251400 4.48927 -18.1778 75.7347 -18.1777 84.9313 -13.9883 75.7347 -13.9864 49.6101 GPRESSURE: 4251400 61.5275 -112.187 39.5038 -36.4686 126.283 26.5199 88.2053 -7.74178 50.5156 PRESSAVG: 4251400 -80.9228 17.1639 23.9431 17.164 -31.4054 -65.4437 23.9431 -65.4439 128.813 GPRESSAVG: 4251400 -80.8272 18.2455 22.0787 19.1653 -30.1904 -64.9422 25.7272 -64.8597 128.083 TIMING: 4251400 CPU: 12309, 0.00286071/step Wall: 12309, 0.00286071/step, 0.594869 hours remaining, 212.097656 MB of memory in use. ENERGY: 4251400 738.7496 2149.2323 1923.6877 108.3342 -206426.3777 17794.4177 0.0000 0.0000 34524.2909 -149187.6653 301.5092 -183711.9562 -149097.5380 299.9040 46.3435 79.4420 556086.3032 5.4950 5.6886 PRESSURE: 4251600 -154.672 -22.5631 -46.9443 -22.5634 -153.608 85.3558 -46.944 85.3567 -270.612 GPRESSURE: 4251600 -144.381 6.04005 1.29934 -63.1082 -135.806 23.1443 -25.9161 151.817 -199.448 PRESSAVG: 4251600 9.79596 41.6938 -15.645 41.6939 24.7111 -4.45878 -15.645 -4.4588 -24.861 GPRESSAVG: 4251600 9.00729 38.6015 -13.1767 42.0584 24.9824 -3.55102 -15.4476 -6.39099 -24.0601 TIMING: 4251600 CPU: 12309.6, 0.00289652/step Wall: 12309.6, 0.00289652/step, 0.602154 hours remaining, 212.097656 MB of memory in use. ENERGY: 4251600 742.6767 2079.9711 1940.8523 116.0092 -205911.9814 17485.4953 0.0000 0.0000 34169.3086 -149377.6682 298.4091 -183546.9768 -149279.9283 299.4160 -192.9640 -159.8782 558333.1036 3.2154 3.3098 PRESSURE: 4251800 -233.36 -256.693 -34.7852 -256.693 211.222 -50.4467 -34.7848 -50.4455 -302.284 GPRESSURE: 4251800 -215.309 -249.692 -72.5138 -245.519 242.707 -7.48389 9.98985 -19.6848 -242.831 PRESSAVG: 4251800 4.84854 -28.3012 -40.4755 -28.3012 7.76255 -6.89948 -40.4755 -6.89932 20.4803 GPRESSAVG: 4251800 5.86943 -26.8001 -42.7129 -27.8139 6.57426 -6.47897 -41.0843 -7.28446 20.747 TIMING: 4251800 CPU: 12310.2, 0.00289341/step Wall: 12310.2, 0.0028934/step, 0.601346 hours remaining, 212.097656 MB of memory in use. ENERGY: 4251800 768.7041 2073.0829 1931.3706 119.4201 -206493.5868 17974.1942 0.0000 0.0000 34485.2713 -149141.5436 301.1685 -183626.8149 -149050.0263 299.4115 -108.1407 -71.8112 559518.6091 11.0304 11.0636 PRESSURE: 4252000 285.765 -114.871 -142.451 -114.871 -120.925 -5.92569 -142.452 -5.92633 150.104 GPRESSURE: 4252000 314.138 -68.5516 -97.6082 -136.337 -101.149 -4.49915 -112.688 32.3853 204.418 PRESSAVG: 4252000 0.0327946 -27.6265 15.3385 -27.6266 -3.47903 37.1745 15.3385 37.1744 -17.7359 GPRESSAVG: 4252000 -0.676106 -27.3699 15.2355 -28.5457 -2.53633 36.7286 15.722 38.4029 -17.5801 TIMING: 4252000 CPU: 12310.8, 0.00287008/step Wall: 12310.8, 0.00287008/step, 0.596339 hours remaining, 212.097656 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: 4252000 778.4930 2060.7386 1938.8592 114.8725 -206136.3160 17762.1960 0.0000 0.0000 34416.0750 -149065.0818 300.5641 -183481.1568 -148974.0216 299.3323 104.9816 139.1355 556822.2721 -7.0607 -6.9309 PRESSURE: 4252200 102.814 69.9318 92.9902 69.9317 139.997 -163.992 92.9904 -163.992 -200.161 GPRESSURE: 4252200 103.13 153.659 249.695 25.8061 169.915 -165.863 2.08453 -92.9862 -120.424 PRESSAVG: 4252200 71.819 7.37356 -9.28716 7.37352 -13.926 15.143 -9.28719 15.1429 19.4621 GPRESSAVG: 4252200 72.2647 9.33224 -10.0642 7.21874 -14.889 13.7113 -8.50584 15.6771 19.8978 TIMING: 4252200 CPU: 12311.3, 0.00288492/step Wall: 12311.3, 0.00288492/step, 0.599262 hours remaining, 212.097656 MB of memory in use. ENERGY: 4252200 761.6539 2148.3331 1909.9101 106.3396 -205992.9541 17842.7533 0.0000 0.0000 34180.6641 -149043.3000 298.5082 -183223.9641 -148947.5690 299.3149 14.2164 50.8736 556866.3819 25.7850 25.7579 LDB: ============= START OF LOAD BALANCING ============== 12314.7 LDB: ============== END OF LOAD BALANCING =============== 12314.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12314.7 LDB: ============= START OF LOAD BALANCING ============== 12315 LDB: Largest compute 4773 load 0.024330 is 20.6% of average load 0.118022 LDB: Average compute 0.001722 is 1.5% of average load 0.118022 LDB: TIME 12315 LOAD: AVG 0.118022 MAX 0.180375 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.996 MB LDB: TIME 12315 LOAD: AVG 0.118022 MAX 0.180375 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.199 MB LDB: TIME 12315 LOAD: AVG 0.118022 MAX 0.180375 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.199 MB LDB: ============== END OF LOAD BALANCING =============== 12315 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12315 PRESSURE: 4252400 -66.3168 13.4288 -171.634 13.43 121.114 74.4548 -171.635 74.4542 182.449 GPRESSURE: 4252400 -18.1624 13.526 -182.235 21.6624 195.469 121.13 -163.575 -19.1816 155.973 PRESSAVG: 4252400 -31.8128 48.457 24.013 48.4569 16.0245 44.6376 24.0129 44.6376 34.014 GPRESSAVG: 4252400 -32.1938 46.1374 25.6679 49.6142 16.9117 46.5215 23.8497 43.1007 34.0456 TIMING: 4252400 CPU: 12311.9, 0.00293072/step Wall: 12311.9, 0.00293072/step, 0.608613 hours remaining, 210.156250 MB of memory in use. ENERGY: 4252400 738.6484 2085.7232 1948.2143 117.6922 -206210.1514 17839.1302 0.0000 0.0000 34497.0256 -148983.7175 301.2711 -183480.7432 -148886.5712 300.4386 79.0818 111.0930 555889.6884 6.0752 6.2545 PRESSURE: 4252600 -221.768 24.5218 77.1316 24.5216 139.719 -21.1224 77.1319 -21.1233 -296.362 GPRESSURE: 4252600 -239.62 9.8303 116.55 -76.3186 161.403 -10.9502 89.6525 11.3105 -190.783 PRESSAVG: 4252600 47.078 29.1889 -19.8784 29.1888 -53.3085 4.86511 -19.8784 4.86509 -2.79006 GPRESSAVG: 4252600 47.4324 29.2814 -19.1745 28.3153 -52.5592 3.50481 -20.5666 5.08165 -3.54834 TIMING: 4252600 CPU: 12312.5, 0.0028915/step Wall: 12312.5, 0.0028915/step, 0.600307 hours remaining, 210.156250 MB of memory in use. ENERGY: 4252600 753.5117 2147.6389 1952.4710 124.4636 -205890.5586 17596.7932 0.0000 0.0000 34228.2943 -149087.3860 298.9242 -183315.6802 -148989.8946 300.1638 -126.1369 -89.6667 557494.4400 -3.0069 -2.8917 PRESSURE: 4252800 30.2108 145.315 -6.94158 145.315 195.646 -81.4053 -6.94257 -81.4054 -68.3612 GPRESSURE: 4252800 90.3725 153.043 21.9726 179.9 148.854 -80.915 21.5067 -77.8007 23.796 PRESSAVG: 4252800 46.7549 -28.6349 -64.926 -28.6349 8.45021 50.4107 -64.926 50.4107 -39.6071 GPRESSAVG: 4252800 47.4014 -29.7887 -65.6469 -27.8124 7.41765 51.4648 -65.0888 51.4912 -38.7475 TIMING: 4252800 CPU: 12313.1, 0.00286603/step Wall: 12313.1, 0.00286603/step, 0.59486 hours remaining, 210.156250 MB of memory in use. ENERGY: 4252800 780.5651 2089.3064 1946.2846 113.5361 -205760.8930 17722.9281 0.0000 0.0000 34148.7014 -148959.5713 298.2291 -183108.2727 -148867.6965 299.9483 52.4985 87.6742 558073.2501 5.1994 5.3572 PRESSURE: 4253000 -17.6145 131.134 29.5864 131.133 -26.4693 -62.314 29.5857 -62.3138 330.083 GPRESSURE: 4253000 -12.2005 161.307 43.4192 122.56 72.0698 -32.6062 15.2169 -80.3521 318.464 PRESSAVG: 4253000 39.6769 66.267 15.473 66.2671 5.54873 35.2251 15.4731 35.2251 -22.841 GPRESSAVG: 4253000 38.9879 68.2729 15.7584 63.9782 5.73052 34.6096 15.0153 33.0113 -22.4844 TIMING: 4253000 CPU: 12313.7, 0.0028956/step Wall: 12313.7, 0.0028956/step, 0.600836 hours remaining, 210.156250 MB of memory in use. ENERGY: 4253000 736.5033 2089.5910 1936.1435 118.9558 -206080.0854 17943.2395 0.0000 0.0000 34352.1700 -148903.4823 300.0060 -183255.6523 -148807.0740 300.2862 95.3332 126.1111 558790.3796 7.4615 7.4113 PRESSURE: 4253200 17.5449 -47.8433 -38.7216 -47.8426 -149.357 24.6206 -38.7219 24.6199 -51.9765 GPRESSURE: 4253200 65.0706 -162.168 -0.397475 10.1672 -122.737 41.4838 -91.9483 6.04217 -22.6115 PRESSAVG: 4253200 -22.4849 23.2727 -39.6876 23.2726 27.4913 19.0695 -39.6875 19.0695 17.2969 GPRESSAVG: 4253200 -22.0885 21.0164 -39.709 25.259 27.2451 20.2934 -38.6219 18.1995 16.406 TIMING: 4253200 CPU: 12314.2, 0.00288353/step Wall: 12314.2, 0.00288353/step, 0.598172 hours remaining, 210.156250 MB of memory in use. ENERGY: 4253200 738.2521 2146.5942 1955.6614 116.7963 -205811.6703 17663.5298 0.0000 0.0000 34292.6354 -148898.2012 299.4861 -183190.8366 -148799.0749 299.8024 -61.2628 -26.7594 558848.4479 7.4344 7.1875 PRESSURE: 4253400 -63.0266 26.8136 -99.867 26.8152 14.7209 -11.9534 -99.8664 -11.9545 171.576 GPRESSURE: 4253400 -42.4848 78.8189 -106.118 -24.9371 49.5748 0.926383 -24.2267 -39.0479 205.028 PRESSAVG: 4253400 15.9968 15.3367 12.5076 15.3367 26.8219 -13.3153 12.5076 -13.3153 -51.0845 GPRESSAVG: 4253400 14.5677 16.0458 11.8732 16.2722 27.0639 -15.5773 13.9601 -12.1052 -50.2553 TIMING: 4253400 CPU: 12314.8, 0.00285875/step Wall: 12314.8, 0.00285875/step, 0.592874 hours remaining, 210.156250 MB of memory in use. ENERGY: 4253400 736.6146 2165.9105 1945.7201 115.3705 -205913.0078 17773.9877 0.0000 0.0000 34328.6417 -148846.7627 299.8006 -183175.4044 -148747.2076 300.6510 41.0901 70.7061 559417.6231 -2.7553 -2.8746 PRESSURE: 4253600 -276.417 -18.254 121.26 -18.255 136.122 22.5546 121.261 22.557 -238.467 GPRESSURE: 4253600 -267.646 8.09606 19.0238 -30.4374 199.68 40.8805 118.615 -7.854 -213.651 PRESSAVG: 4253600 -22.9622 28.6804 16.5565 28.6804 30.1498 -29.4879 16.5564 -29.4879 35.2119 GPRESSAVG: 4253600 -23.2767 30.1729 14.4342 27.6397 31.229 -29.3545 15.0484 -26.7206 33.9588 TIMING: 4253600 CPU: 12315.4, 0.00286379/step Wall: 12315.4, 0.00286379/step, 0.593758 hours remaining, 210.156250 MB of memory in use. ENERGY: 4253600 714.2001 2130.4230 1945.7938 124.9441 -205890.9441 17608.0339 0.0000 0.0000 34567.4116 -148800.1377 301.8858 -183367.5493 -148705.6703 300.0236 -126.2543 -93.8723 558580.9092 14.1332 13.9704 PRESSURE: 4253800 -2.17345 20.37 -32.2363 20.3682 -89.1932 48.4167 -32.2359 48.4149 -97.2962 GPRESSURE: 4253800 21.6099 -25.6317 -87.7881 52.6551 -75.4371 70.9423 -109.399 83.5861 -31.3265 PRESSAVG: 4253800 -11.2425 4.36173 -22.2811 4.36174 30.2206 -35.6559 -22.281 -35.656 -6.42401 GPRESSAVG: 4253800 -11.0952 4.37012 -21.9056 3.48464 29.9139 -36.0315 -21.1944 -37.2202 -6.04513 TIMING: 4253800 CPU: 12315.9, 0.00285605/step Wall: 12315.9, 0.00285605/step, 0.591996 hours remaining, 210.156250 MB of memory in use. ENERGY: 4253800 777.5931 2089.4809 1973.9465 121.2670 -205716.6243 17778.7857 0.0000 0.0000 34209.4193 -148766.1318 298.7594 -182975.5511 -148669.2951 300.2786 -62.8876 -28.3846 558325.1295 4.1847 4.2578 PRESSURE: 4254000 -63.9731 225.376 69.1052 225.376 -144.562 33.0014 69.1065 33.0013 -180.053 GPRESSURE: 4254000 -14.3138 173.489 122.058 146.105 -117.678 46.1733 40.4646 71.8542 -161.456 PRESSAVG: 4254000 33.7929 4.63272 -24.4044 4.63275 -67.5459 -43.6004 -24.4044 -43.6004 12.7013 GPRESSAVG: 4254000 33.9383 2.26803 -23.485 5.0381 -67.7219 -42.7653 -24.5336 -44.4213 12.7442 TIMING: 4254000 CPU: 12316.5, 0.0028764/step Wall: 12316.5, 0.0028764/step, 0.596054 hours remaining, 210.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4254000 746.8470 2099.9711 1924.2987 103.5409 -205935.0147 17631.8600 0.0000 0.0000 34795.5675 -148632.9295 303.8783 -183428.4970 -148534.8602 300.5446 -129.5293 -97.8159 556882.6990 -7.0172 -7.0131 PRESSURE: 4254200 2.90611 120.897 38.8877 120.896 161.562 89.5838 38.8875 89.5848 -58.6252 GPRESSURE: 4254200 62.4592 129.247 125.279 73.5031 157.913 53.6287 40.1842 104.703 -33.4838 PRESSAVG: 4254200 -36.7882 40.4257 -28.3844 40.4257 18.9572 -24.3702 -28.3845 -24.3702 17.4235 GPRESSAVG: 4254200 -36.2049 43.2493 -27.0458 40.1223 17.6363 -23.8942 -28.3839 -24.5219 18.0712 TIMING: 4254200 CPU: 12317.1, 0.00284902/step Wall: 12317.1, 0.00284902/step, 0.590222 hours remaining, 210.156250 MB of memory in use. ENERGY: 4254200 746.6648 2092.0140 1964.1830 105.8412 -205863.4289 17807.3857 0.0000 0.0000 34475.1878 -148672.1524 301.0804 -183147.3402 -148570.5885 301.3238 35.2811 62.2962 556548.7443 -0.1358 -0.1658 PRESSURE: 4254400 -147.976 -143.81 5.76803 -143.809 -58.2336 30.5958 5.76923 30.5963 -8.92459 GPRESSURE: 4254400 -127.216 -145.604 176.224 -43.3051 -1.4546 75.6783 -47.8522 44.6697 11.5342 PRESSAVG: 4254400 -6.30929 35.491 -27.3255 35.491 32.1503 23.3138 -27.3256 23.3137 -27.3758 GPRESSAVG: 4254400 -5.87956 34.6168 -26.9609 35.6464 32.6579 22.9194 -27.2786 24.755 -28.4278 TIMING: 4254400 CPU: 12317.7, 0.00284821/step Wall: 12317.7, 0.00284821/step, 0.589896 hours remaining, 210.156250 MB of memory in use. ENERGY: 4254400 756.8272 2114.9314 1954.7099 106.1540 -205297.4104 17430.9676 0.0000 0.0000 34393.6242 -148540.1961 300.3681 -182933.8202 -148443.8751 301.0922 -71.7114 -39.0455 557577.7145 -0.5116 -0.5498 PRESSURE: 4254600 81.0553 125.845 20.6524 125.845 -41.7212 41.3351 20.6526 41.3333 166.98 GPRESSURE: 4254600 146.989 134.825 63.9307 166.148 -55.8723 1.43135 -23.6522 26.7631 215.452 PRESSAVG: 4254600 -71.3166 47.6065 -3.63542 47.6066 43.6688 26.1972 -3.63542 26.1971 -6.16496 GPRESSAVG: 4254600 -71.6791 48.531 -4.99874 46.681 43.6741 25.6347 -4.21718 26.6883 -6.01218 TIMING: 4254600 CPU: 12318.2, 0.00288249/step Wall: 12318.2, 0.00288249/step, 0.596836 hours remaining, 210.156250 MB of memory in use. ENERGY: 4254600 730.7335 2071.0041 1905.8610 121.3412 -205947.2028 17927.3056 0.0000 0.0000 34616.0133 -148574.9441 302.3103 -183190.9574 -148477.0468 301.1940 68.7715 102.1897 558466.9607 -11.2709 -11.3391 PRESSURE: 4254800 64.415 46.8176 -56.7792 46.8169 109.46 95.4165 -56.7787 95.4167 -100.931 GPRESSURE: 4254800 96.4927 130.205 -39.2804 -156.438 168.485 103.359 -20.7291 184.166 -109.079 PRESSAVG: 4254800 -32.4258 46.6461 -24.5683 46.6461 30.4624 -2.16823 -24.5682 -2.1683 13.9442 GPRESSAVG: 4254800 -33.0615 44.4246 -22.2637 47.6761 30.7596 -0.596847 -25.8979 -4.1948 14.3655 TIMING: 4254800 CPU: 12318.8, 0.00287753/step Wall: 12318.8, 0.00287753/step, 0.595648 hours remaining, 210.156250 MB of memory in use. ENERGY: 4254800 781.7426 2099.3725 1924.0277 113.9915 -206360.5341 18018.4575 0.0000 0.0000 34782.1531 -148640.7892 303.7612 -183422.9423 -148538.8578 301.6270 24.3149 51.9660 557656.4067 3.9936 4.0212 PRESSURE: 4255000 157.805 168.251 115.765 168.251 -54.2348 -137.658 115.765 -137.659 187.628 GPRESSURE: 4255000 215.352 104.964 65.148 180.05 -45.4961 -106.125 168.706 -162.238 198.278 PRESSAVG: 4255000 34.9741 -17.9213 -0.757357 -17.9213 21.0844 -52.7244 -0.757525 -52.7245 -64.0314 GPRESSAVG: 4255000 34.2879 -16.2529 -2.30032 -18.777 20.0168 -54.993 1.4492 -51.6482 -63.1256 TIMING: 4255000 CPU: 12319.4, 0.00289176/step Wall: 12319.4, 0.00289176/step, 0.598435 hours remaining, 210.156250 MB of memory in use. ENERGY: 4255000 712.6124 2125.6585 1932.1016 111.2921 -205844.7707 17823.1848 0.0000 0.0000 34271.0405 -148868.8807 299.2975 -183139.9212 -148770.8469 301.0859 97.0661 122.7111 556780.0826 -2.6576 -2.9403 PRESSURE: 4255200 320.56 93.4058 93.2095 93.4048 54.2692 -97.1425 93.2105 -97.1432 -8.58355 GPRESSURE: 4255200 322.009 87.1534 -9.18915 104.36 30.2488 -41.7605 166.387 -58.5052 105.333 PRESSAVG: 4255200 57.9636 42.537 56.8011 42.537 -50.251 16.8973 56.8011 16.8973 46.6648 GPRESSAVG: 4255200 57.8494 42.5154 56.5693 43.0026 -49.4963 19.0249 55.8145 16.0697 46.2619 TIMING: 4255200 CPU: 12320, 0.00287537/step Wall: 12320, 0.00287537/step, 0.594881 hours remaining, 210.156250 MB of memory in use. ENERGY: 4255200 725.4041 2092.4726 1927.8811 109.2071 -205957.5495 17762.0838 0.0000 0.0000 34489.2696 -148851.2312 301.2034 -183340.5008 -148753.2965 300.6711 122.0820 152.5303 555504.5103 18.1258 18.2050 PRESSURE: 4255400 93.6295 64.6196 32.0107 64.6202 -38.3379 -15.9038 32.0107 -15.904 -63.367 GPRESSURE: 4255400 140.492 -12.4123 62.2779 122.32 11.2462 -4.35446 32.0683 -77.92 -65.4871 PRESSAVG: 4255400 8.26751 80.0169 -11.0529 80.0169 -9.15719 -20.6646 -11.0529 -20.6646 9.66557 GPRESSAVG: 4255400 8.28331 79.742 -10.7274 80.5798 -9.28069 -22.3548 -11.4737 -20.6736 9.4781 TIMING: 4255400 CPU: 12320.5, 0.0028811/step Wall: 12320.5, 0.00288109/step, 0.595906 hours remaining, 210.156250 MB of memory in use. ENERGY: 4255400 756.9210 2041.5895 1963.5449 110.6707 -205696.7130 17701.7172 0.0000 0.0000 34391.1272 -148731.1427 300.3463 -183122.2699 -148635.6450 300.8134 -2.6918 28.7503 557034.6626 2.9253 2.8269 PRESSURE: 4255600 -213.996 -27.7554 -93.5457 -27.7535 54.8754 191.681 -93.5463 191.681 -113.425 GPRESSURE: 4255600 -192.269 -28.7424 -43.3403 -89.5505 65.9018 151.39 -79.4137 201.81 -51.0606 PRESSAVG: 4255600 -25.7895 46.9454 11.6844 46.9455 73.3341 -28.7239 11.6843 -28.7238 -52.0984 GPRESSAVG: 4255600 -25.8828 44.8613 11.7895 47.4463 73.4425 -28.5381 11.9837 -27.7046 -52.7245 TIMING: 4255600 CPU: 12321.1, 0.00286873/step Wall: 12321.1, 0.00286874/step, 0.593191 hours remaining, 210.156250 MB of memory in use. ENERGY: 4255600 747.3810 2069.1316 1959.1417 122.9475 -205158.0724 17358.0987 0.0000 0.0000 34202.7746 -148698.5973 298.7013 -182901.3718 -148606.7527 299.9956 -90.8488 -59.1426 558127.6827 -1.5180 -1.7216 PRESSURE: 4255800 -12.3983 -60.4756 -76.6588 -60.476 -151.733 113.151 -76.6598 113.151 -124.027 GPRESSURE: 4255800 -7.40049 -88.3416 -45.4383 -32.396 -99.0342 58.3706 -100.45 44.4063 -83.2492 PRESSAVG: 4255800 -7.95411 11.5542 20.2412 11.5542 -11.5786 36.3402 20.2412 36.3403 0.49567 GPRESSAVG: 4255800 -7.81609 13.0751 20.6026 9.84684 -11.8574 36.8931 19.9152 33.7695 0.561391 TIMING: 4255800 CPU: 12321.7, 0.00284775/step Wall: 12321.7, 0.00284775/step, 0.588692 hours remaining, 210.156250 MB of memory in use. ENERGY: 4255800 789.5727 2091.7554 1946.7056 101.5508 -205669.0350 17627.1884 0.0000 0.0000 34402.0727 -148710.1893 300.4419 -183112.2621 -148615.7935 300.3113 -96.0526 -63.2279 557568.6343 -6.3457 -6.3707 PRESSURE: 4256000 -78.9332 138.175 32.7632 138.175 173.667 -94.3146 32.7627 -94.3156 -71.0826 GPRESSURE: 4256000 -70.7715 70.1616 46.1551 75.1961 204.424 -88.0617 -11.3554 -42.3821 -9.97372 PRESSAVG: 4256000 -31.343 -38.0801 43.9231 -38.08 -3.76 23.645 43.9232 23.6451 16.37 GPRESSAVG: 4256000 -31.0351 -39.1045 41.5583 -36.9713 -3.95371 23.63 46.1435 26.1651 16.6918 TIMING: 4256000 CPU: 12322.3, 0.00285/step Wall: 12322.3, 0.00285/step, 0.588999 hours remaining, 210.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4256000 719.7299 2086.6263 1920.5573 106.2762 -205700.2405 17852.0281 0.0000 0.0000 34359.8639 -148655.1589 300.0732 -183015.0227 -148559.5619 300.6720 7.8836 41.2262 557534.5309 -6.2443 -6.0990 PRESSURE: 4256200 -270.905 -96.1333 129.093 -96.134 -133.043 -51.7094 129.094 -51.7091 -79.7653 GPRESSURE: 4256200 -235.85 -50.4691 143.238 -117.034 -115.069 -32.6436 123.964 -121.945 -29.5208 PRESSAVG: 4256200 22.8783 20.8386 25.7858 20.8387 -20.5322 -25.6808 25.7857 -25.6808 -14.2592 GPRESSAVG: 4256200 22.9803 21.6909 26.8058 19.7607 -20.8897 -25.902 23.7734 -25.1148 -14.154 TIMING: 4256200 CPU: 12322.8, 0.00286974/step Wall: 12322.8, 0.00286974/step, 0.592919 hours remaining, 210.156250 MB of memory in use. ENERGY: 4256200 758.8007 2083.6609 1967.0057 108.8159 -205524.6061 17598.2010 0.0000 0.0000 34344.3642 -148663.7578 299.9379 -183008.1220 -148565.3822 301.3274 -161.2379 -126.8132 558786.2948 -3.9710 -4.0211 LDB: ============= START OF LOAD BALANCING ============== 12326.2 LDB: ============== END OF LOAD BALANCING =============== 12326.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12326.2 LDB: ============= START OF LOAD BALANCING ============== 12326.5 LDB: Largest compute 4773 load 0.025315 is 21.4% of average load 0.118051 LDB: Average compute 0.001729 is 1.5% of average load 0.118051 LDB: TIME 12326.5 LOAD: AVG 0.118051 MAX 0.179893 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.188 MB LDB: TIME 12326.5 LOAD: AVG 0.118051 MAX 0.179893 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.188 MB LDB: TIME 12326.5 LOAD: AVG 0.118051 MAX 0.179893 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12326.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12326.5 PRESSURE: 4256400 -25.0213 79.7802 110.192 79.7807 -148.314 -124.03 110.191 -124.029 -36.6178 GPRESSURE: 4256400 -4.51928 157.873 83.3006 98.2972 -121.34 -61.5946 153.266 -36.7734 0.0314418 PRESSAVG: 4256400 14.315 -39.2257 37.1403 -39.2258 -3.01291 -41.7923 37.1403 -41.7924 -6.93895 GPRESSAVG: 4256400 14.7626 -37.7791 37.2046 -39.3328 -2.78121 -39.2847 38.2607 -42.1063 -8.21375 TIMING: 4256400 CPU: 12323.4, 0.00293976/step Wall: 12323.4, 0.00293976/step, 0.607224 hours remaining, 209.902344 MB of memory in use. ENERGY: 4256400 762.6428 2108.6445 1965.1479 122.6610 -206071.5904 17873.4371 0.0000 0.0000 34417.4963 -148821.5608 300.5766 -183239.0571 -148725.7678 300.9351 -69.9843 -41.9425 558861.5094 1.4544 1.2559 PRESSURE: 4256600 -38.5739 120.675 -101.659 120.674 -285.272 32.2011 -101.658 32.2002 -166.834 GPRESSURE: 4256600 -30.804 128.675 -14.5788 141.061 -264.249 -48.5949 -145.97 69.604 -108.731 PRESSAVG: 4256600 42.6831 37.2193 7.54056 37.2192 -21.0346 13.0118 7.54044 13.0118 32.0055 GPRESSAVG: 4256600 42.4635 36.7459 7.91488 37.188 -22.2666 10.2937 6.25621 12.8404 33.3745 TIMING: 4256600 CPU: 12324, 0.00288627/step Wall: 12324, 0.00288627/step, 0.596015 hours remaining, 209.902344 MB of memory in use. ENERGY: 4256600 753.1760 2098.8470 1962.7829 131.7856 -205727.2470 17525.1455 0.0000 0.0000 34542.4449 -148713.0653 301.6678 -183255.5101 -148618.5235 300.8468 -163.5602 -134.5947 558900.5550 17.8847 17.8571 PRESSURE: 4256800 -35.6976 42.5992 21.7059 42.5998 -345.59 191.206 21.7055 191.205 85.5365 GPRESSURE: 4256800 17.015 67.8225 -14.7587 4.09905 -284.313 205.784 6.62858 193.644 77.3236 PRESSAVG: 4256800 29.5892 55.2485 -5.56747 55.2485 -19.1494 61.6654 -5.56751 61.6655 -39.6488 GPRESSAVG: 4256800 30.6834 53.9329 -5.49643 55.7982 -19.1778 63.9215 -6.08617 60.6409 -40.3617 TIMING: 4256800 CPU: 12324.6, 0.00288664/step Wall: 12324.6, 0.00288664/step, 0.59593 hours remaining, 209.902344 MB of memory in use. ENERGY: 4256800 735.7916 2135.9134 1960.2268 119.5394 -205706.5773 17515.1300 0.0000 0.0000 34301.8999 -148938.0762 299.5670 -183239.9761 -148843.0519 300.7306 -98.5838 -63.3247 557324.3718 -9.7363 -9.6187 PRESSURE: 4257000 48.0922 -18.4252 -79.7013 -18.4255 200.679 12.2071 -79.7008 12.2081 -39.2281 GPRESSURE: 4257000 64.368 -15.1133 -21.3542 -55.5679 207.933 85.1416 -137.946 -33.8306 28.9802 PRESSAVG: 4257000 73.6188 -54.4481 18.6498 -54.4481 10.703 65.6006 18.6498 65.6006 -31.7374 GPRESSAVG: 4257000 71.1459 -50.4635 16.9944 -57.9444 12.0103 65.0155 18.9932 67.4537 -30.38 TIMING: 4257000 CPU: 12325.1, 0.00286618/step Wall: 12325.1, 0.00286618/step, 0.591548 hours remaining, 209.902344 MB of memory in use. ENERGY: 4257000 737.4554 2105.9810 1934.1522 108.8229 -206344.2772 17924.0006 0.0000 0.0000 34379.7939 -149154.0713 300.2473 -183533.8652 -149057.5331 300.7926 69.8477 100.4271 557014.8557 17.5281 17.5920 PRESSURE: 4257200 -130.809 163.061 -10.5557 163.061 69.4467 -65.0833 -10.5568 -65.0825 -159.436 GPRESSURE: 4257200 -110.323 143.973 103.432 155.206 102.059 -94.3316 -65.7427 -2.82254 -107.83 PRESSAVG: 4257200 33.8852 -30.3479 11.5554 -30.3478 32.3252 13.3252 11.5553 13.3251 -24.7762 GPRESSAVG: 4257200 35.3283 -34.0596 12.5386 -27.5669 30.8033 12.635 11.3221 11.6035 -25.1066 TIMING: 4257200 CPU: 12325.7, 0.00285741/step Wall: 12325.7, 0.00285741/step, 0.589579 hours remaining, 209.902344 MB of memory in use. ENERGY: 4257200 755.1764 2115.4616 1935.2239 103.6973 -206318.9535 17870.4598 0.0000 0.0000 34247.5882 -149291.3463 299.0927 -183538.9345 -149195.6029 299.7623 -73.5995 -38.6981 558084.4113 13.8114 13.6750 PRESSURE: 4257400 -148.908 -28.0007 44.034 -27.9995 -91.1137 -90.201 44.0332 -90.2002 -192.107 GPRESSURE: 4257400 -170.349 -56.1858 91.0388 -7.32274 -42.1819 -53.8114 34.8287 -97.9983 -124.825 PRESSAVG: 4257400 40.3379 34.127 23.4507 34.1271 -11.4712 61.7814 23.4507 61.7815 -32.1796 GPRESSAVG: 4257400 39.2443 35.1678 24.4057 32.725 -10.56 61.3728 24.2687 63.6417 -31.8019 TIMING: 4257400 CPU: 12326.3, 0.00284828/step Wall: 12326.3, 0.00284828/step, 0.587536 hours remaining, 209.902344 MB of memory in use. ENERGY: 4257400 757.5687 2078.9864 1960.4459 114.2444 -205898.4041 17665.4585 0.0000 0.0000 34164.1837 -149157.5165 298.3643 -183321.7002 -149065.0733 299.4032 -144.0430 -112.4519 559489.4034 -1.1043 -1.0392 PRESSURE: 4257600 213.064 -42.2421 12.2995 -42.2422 126.089 78.9444 12.2984 78.9462 -136.792 GPRESSURE: 4257600 253.19 30.1705 64.6817 -78.9963 177.412 64.6204 -86.8884 86.7836 -127.737 PRESSAVG: 4257600 7.07296 -16.8641 -27.0939 -16.864 14.898 15.3819 -27.094 15.3819 -36.0866 GPRESSAVG: 4257600 7.54754 -17.0768 -26.2836 -15.857 14.1381 16.9837 -28.6696 12.6404 -35.8967 TIMING: 4257600 CPU: 12326.9, 0.0028479/step Wall: 12326.9, 0.0028479/step, 0.5873 hours remaining, 209.902344 MB of memory in use. ENERGY: 4257600 787.3779 2068.0417 1933.0795 116.2898 -206596.5426 18095.6762 0.0000 0.0000 34337.5376 -149258.5399 299.8783 -183596.0776 -149171.9576 299.1015 67.4535 100.9550 558054.1538 -4.7052 -4.7370 PRESSURE: 4257800 237.7 257.669 -3.71652 257.67 174.764 194.193 -3.71629 194.195 -27.6688 GPRESSURE: 4257800 191.347 314.538 -10.575 299.985 223.541 132.231 -54.8911 118.004 66.311 PRESSAVG: 4257800 77.6178 -32.601 15.4585 -32.601 15.2025 19.9664 15.4585 19.9664 -49.517 GPRESSAVG: 4257800 77.7119 -33.0295 15.3595 -32.6189 16.2932 17.2242 17.6776 21.7366 -50.8259 TIMING: 4257800 CPU: 12327.4, 0.00285919/step Wall: 12327.4, 0.00285919/step, 0.58947 hours remaining, 209.902344 MB of memory in use. ENERGY: 4257800 755.4674 2121.4721 1951.2392 108.3573 -206746.8419 18232.9877 0.0000 0.0000 34310.3122 -149267.0061 299.6405 -183577.3183 -149170.5551 299.1305 128.2653 160.3996 557656.2457 14.4344 14.3931 PRESSURE: 4258000 332.513 160.777 6.97589 160.778 -229.417 -183.869 6.97585 -183.869 -221.747 GPRESSURE: 4258000 325.485 228.307 -15.6038 159.376 -150.452 -191.474 24.0137 -123.403 -171.147 PRESSAVG: 4258000 35.8285 -8.47024 -11.7403 -8.47024 -27.2566 -18.958 -11.7402 -18.958 -30.9993 GPRESSAVG: 4258000 36.0126 -9.10207 -12.745 -8.45798 -29.2579 -17.5575 -12.2463 -22.5794 -28.7677 TIMING: 4258000 CPU: 12328, 0.00284358/step Wall: 12328, 0.00284358/step, 0.586093 hours remaining, 209.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4258000 755.6565 2048.3539 1953.6779 114.9286 -206203.0698 17734.5454 0.0000 0.0000 34320.4858 -149275.4217 299.7293 -183595.9075 -149177.9857 299.3839 -39.5502 1.2953 556973.1112 -7.4758 -7.3376 PRESSURE: 4258200 -118.829 12.7959 -45.0497 12.7947 -241.577 24.802 -45.0491 24.8013 22.335 GPRESSURE: 4258200 -64.0141 -31.8658 11.3026 34.7464 -227.77 105.823 -7.97984 71.9068 36.4026 PRESSAVG: 4258200 57.4253 11.7689 -9.67409 11.769 21.8771 28.3015 -9.6741 28.3015 -101.938 GPRESSAVG: 4258200 55.4719 10.9065 -8.08306 10.9045 23.458 27.0112 -10.6323 31.9026 -102.495 TIMING: 4258200 CPU: 12328.6, 0.00285354/step Wall: 12328.6, 0.00285354/step, 0.587988 hours remaining, 209.902344 MB of memory in use. ENERGY: 4258200 724.8663 2089.0605 1973.2947 106.9962 -205890.1472 17607.9146 0.0000 0.0000 34134.3561 -149253.6587 298.1038 -183388.0149 -149154.0083 299.1159 -112.6903 -85.1272 556794.7494 -7.5451 -7.8551 PRESSURE: 4258400 -114.731 -241.238 -58.7256 -241.239 4.58249 -38.1733 -58.7263 -38.1745 -230.063 GPRESSURE: 4258400 -103.04 -250.062 -21.4415 -188.999 69.9371 4.88357 -19.413 -114.751 -191.468 PRESSAVG: 4258400 61.0742 -41.1345 -17.6227 -41.1345 -22.5747 39.9019 -17.6227 39.9019 -25.6242 GPRESSAVG: 4258400 62.8675 -39.9282 -18.5935 -39.0294 -23.494 41.4459 -16.9564 37.2798 -26.3311 TIMING: 4258400 CPU: 12329.1, 0.00287276/step Wall: 12329.1, 0.00287276/step, 0.591789 hours remaining, 210.023438 MB of memory in use. ENERGY: 4258400 731.5409 2070.9569 1949.8600 113.4217 -206044.6123 17584.6134 0.0000 0.0000 34200.0233 -149394.1962 298.6773 -183594.2196 -149297.6278 298.3046 -113.4039 -74.8569 556374.1949 4.2918 4.3475 PRESSURE: 4258600 -233.041 71.3691 203.447 71.3674 90.833 60.3513 203.448 60.3518 90.4363 GPRESSURE: 4258600 -163.6 106.018 158.569 32.007 137.844 16.2917 172.191 142.101 81.9431 PRESSAVG: 4258600 14.9603 -11.2546 24.8324 -11.2546 36.9234 10.0875 24.8324 10.0876 -81.056 GPRESSAVG: 4258600 14.6769 -10.6759 24.5482 -11.6467 37.0735 10.4909 24.8726 9.60536 -81.533 TIMING: 4258600 CPU: 12329.7, 0.00287524/step Wall: 12329.7, 0.00287524/step, 0.59214 hours remaining, 210.023438 MB of memory in use. ENERGY: 4258600 696.1423 2090.3547 1942.0585 102.2052 -206243.8701 17747.7947 0.0000 0.0000 34124.6499 -149540.6649 298.0191 -183665.3148 -149445.5463 299.1892 -17.2572 18.7290 555300.7029 -9.7241 -9.9275 PRESSURE: 4258800 -18.5451 80.5238 16.3232 80.5238 -133.492 52.292 16.3242 52.2896 -220.249 GPRESSURE: 4258800 31.8251 16.5393 26.2642 104.87 -97.5402 15.8501 -27.631 88.6265 -213.735 PRESSAVG: 4258800 -20.4754 -6.73576 18.9857 -6.73585 2.94603 18.2375 18.9857 18.2376 24.3183 GPRESSAVG: 4258800 -20.3509 -8.29832 19.2395 -6.98628 2.10051 17.3219 17.9874 21.4729 24.926 TIMING: 4258800 CPU: 12330.3, 0.00286809/step Wall: 12330.3, 0.00286809/step, 0.590508 hours remaining, 210.023438 MB of memory in use. ENERGY: 4258800 723.4245 2014.0155 1950.1844 110.9674 -205992.7743 17619.5752 0.0000 0.0000 34111.0023 -149463.6049 297.8999 -183574.6073 -149364.7947 298.5786 -124.0952 -93.1500 557602.9463 2.2630 2.2252 PRESSURE: 4259000 -211.171 -121.795 -249.694 -121.795 44.8743 158.469 -249.695 158.467 -160.306 GPRESSURE: 4259000 -163.564 -114.211 -170.186 -50.6618 60.3777 198.911 -145.928 115.691 -132.973 PRESSAVG: 4259000 -23.7342 -6.69858 -23.8547 -6.69857 -17.5723 42.7817 -23.8547 42.7817 8.80685 GPRESSAVG: 4259000 -23.4553 -4.55524 -22.8296 -6.8989 -17.3124 42.6194 -22.9248 42.354 8.52381 TIMING: 4259000 CPU: 12330.9, 0.00287191/step Wall: 12330.9, 0.00287191/step, 0.591134 hours remaining, 210.023438 MB of memory in use. ENERGY: 4259000 756.2731 2081.0667 1948.4295 112.1531 -205885.2850 17585.1607 0.0000 0.0000 34094.3164 -149307.8856 297.7541 -183402.2020 -149219.7629 298.8512 -108.8674 -78.7198 556985.7886 -10.8332 -10.7480 PRESSURE: 4259200 234.538 172.725 14.3111 172.725 -1.35581 16.134 14.3113 16.1331 157.472 GPRESSURE: 4259200 295.053 144.289 18.7255 168.85 33.2188 1.83115 3.86009 25.8645 145.103 PRESSAVG: 4259200 4.91538 5.95572 11.2913 5.9557 -36.0676 -2.4907 11.2914 -2.49079 46.793 GPRESSAVG: 4259200 4.4762 4.61767 9.83048 4.82209 -36.2719 -2.34207 10.0423 -1.7297 47.2815 TIMING: 4259200 CPU: 12331.4, 0.00289376/step Wall: 12331.4, 0.00289376/step, 0.59547 hours remaining, 210.023438 MB of memory in use. ENERGY: 4259200 762.0952 2086.2904 1940.6705 107.2706 -206753.7530 18207.6149 0.0000 0.0000 34373.6108 -149276.2006 300.1933 -183649.8114 -149176.1830 298.8627 130.2180 157.7916 556623.4039 5.2136 5.1619 PRESSURE: 4259400 -26.0157 -14.3492 -160.164 -14.3502 -82.2488 73.542 -160.164 73.5428 -256.695 GPRESSURE: 4259400 15.4933 -61.5256 -74.7733 26.1756 -62.6098 -7.42512 -122.893 65.5341 -202.794 PRESSAVG: 4259400 63.5067 -17.3483 -9.71009 -17.3484 -12.7352 27.4541 -9.71006 27.4542 -32.639 GPRESSAVG: 4259400 63.9451 -16.4928 -10.831 -15.6656 -13.5104 27.9068 -7.65966 25.3111 -32.8999 TIMING: 4259400 CPU: 12332, 0.00290567/step Wall: 12332, 0.00290567/step, 0.59776 hours remaining, 210.023438 MB of memory in use. ENERGY: 4259400 755.3358 2045.1632 1983.3283 101.4708 -205986.7587 17624.7279 0.0000 0.0000 34234.9578 -149241.7748 298.9824 -183476.7327 -149154.3271 299.7622 -121.6533 -83.3033 557819.4239 6.0441 5.8450 PRESSURE: 4259600 206.217 -11.2621 -79.1155 -11.2619 198.403 -67.6869 -79.1152 -67.6871 240.335 GPRESSURE: 4259600 209.985 -53.5399 -31.218 -79.4127 245.392 -43.1491 -99.4518 -125.564 286.213 PRESSAVG: 4259600 -23.1959 8.21834 -34.4771 8.21836 -2.2502 25.7439 -34.4771 25.7439 10.639 GPRESSAVG: 4259600 -23.1521 8.44014 -33.1514 7.48752 -2.69045 26.5424 -36.878 28.0796 11.7631 TIMING: 4259600 CPU: 12332.6, 0.0028854/step Wall: 12332.6, 0.0028854/step, 0.59343 hours remaining, 210.023438 MB of memory in use. ENERGY: 4259600 748.7548 2057.6548 1918.3192 116.3377 -206388.9454 18226.5838 0.0000 0.0000 34293.3730 -149027.9220 299.4926 -183321.2950 -148931.2882 299.3098 214.9852 247.1968 558588.8667 -4.9357 -4.6931 PRESSURE: 4259800 59.2283 -49.3705 -34.6944 -49.3705 32.3157 -3.88715 -34.6954 -3.88722 -316.458 GPRESSURE: 4259800 79.1517 -76.975 -17.9574 -46.3458 54.3095 -17.7237 -25.4912 -5.75285 -251.901 PRESSAVG: 4259800 17.6995 -4.06432 0.0942699 -4.06434 -37.5042 35.2336 0.0941996 35.2335 1.09927 GPRESSAVG: 4259800 17.0465 -6.46147 -0.277833 -0.949238 -36.2362 33.5811 2.3738 34.8374 0.392745 TIMING: 4259800 CPU: 12333.2, 0.00285313/step Wall: 12333.2, 0.00285313/step, 0.586636 hours remaining, 210.023438 MB of memory in use. ENERGY: 4259800 771.3835 2107.4261 1952.0172 104.1951 -206128.6037 17835.3832 0.0000 0.0000 34249.7840 -149108.4146 299.1119 -183358.1986 -149007.5995 299.9872 -74.9713 -39.4800 559654.0682 -6.2351 -6.2657 PRESSURE: 4260000 252.894 31.9699 -110.819 31.971 422.163 -150.933 -110.818 -150.932 175.771 GPRESSURE: 4260000 331.53 68.064 -141.997 98.1053 443.423 -124.11 -19.1848 -162.872 167.349 PRESSAVG: 4260000 86.2711 2.62413 -24.8435 2.62418 -35.8081 -48.2928 -24.8436 -48.2929 -12.7141 GPRESSAVG: 4260000 86.7358 4.43435 -24.9756 0.75692 -35.5145 -47.6767 -23.3966 -48.6274 -13.3205 TIMING: 4260000 CPU: 12333.7, 0.00287275/step Wall: 12333.7, 0.00287275/step, 0.59051 hours remaining, 210.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4260000 729.0236 2117.2479 1939.5526 122.7182 -206477.8120 18249.0345 0.0000 0.0000 34479.0363 -148841.1990 301.1140 -183320.2352 -148749.0012 300.0390 283.6094 314.1006 558323.5522 12.5830 12.6336 PRESSURE: 4260200 174.8 51.2692 -116.003 51.2702 76.1553 13.0335 -116.003 13.0327 222.066 GPRESSURE: 4260200 204.474 109.43 -58.8531 46.3377 107.567 58.1824 -194.597 33.6116 262.859 PRESSAVG: 4260200 -28.3534 48.6193 -27.9734 48.6192 71.4579 -21.3082 -27.9734 -21.3082 -26.0916 GPRESSAVG: 4260200 -27.7068 49.4313 -28.5329 48.8704 71.8894 -21.4148 -28.8063 -22.3109 -26.4341 TIMING: 4260200 CPU: 12334.3, 0.00286403/step Wall: 12334.3, 0.00286403/step, 0.588558 hours remaining, 210.023438 MB of memory in use. ENERGY: 4260200 715.4417 2094.6907 1926.7617 126.4839 -206117.9035 18155.0657 0.0000 0.0000 34133.5220 -148965.9378 298.0965 -183099.4598 -148877.6162 300.2758 157.6738 191.6331 558962.4852 5.6710 5.9162 LDB: ============= START OF LOAD BALANCING ============== 12337.7 LDB: ============== END OF LOAD BALANCING =============== 12337.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12337.7 LDB: ============= START OF LOAD BALANCING ============== 12338 LDB: Largest compute 4773 load 0.025581 is 21.7% of average load 0.118093 LDB: Average compute 0.001729 is 1.5% of average load 0.118093 LDB: TIME 12338 LOAD: AVG 0.118093 MAX 0.179378 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 12338 LOAD: AVG 0.118093 MAX 0.179378 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: TIME 12338 LOAD: AVG 0.118093 MAX 0.179378 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.84 MB LDB: ============== END OF LOAD BALANCING =============== 12338 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12338 PRESSURE: 4260400 101.529 -88.8657 56.8842 -88.8659 -258.448 -2.75664 56.8845 -2.75737 -112.489 GPRESSURE: 4260400 93.2862 -191.172 -25.7766 37.3423 -210.067 53.6941 53.0546 -47.9628 -66.4742 PRESSAVG: 4260400 27.6925 48.884 -38.0836 48.884 -7.44449 10.7547 -38.0836 10.7548 -3.72438 GPRESSAVG: 4260400 27.6041 46.5975 -37.4461 50.1582 -7.23362 10.9685 -38.2663 10.8945 -3.7238 TIMING: 4260400 CPU: 12334.9, 0.00292188/step Wall: 12334.9, 0.00292188/step, 0.600283 hours remaining, 210.480469 MB of memory in use. ENERGY: 4260400 740.4221 2124.5012 1946.2200 119.2119 -205796.5217 17689.9409 0.0000 0.0000 34314.5317 -148861.6939 299.6773 -183176.2256 -148764.9875 300.0012 -89.8025 -61.0848 558426.0367 5.5079 5.5489 PRESSURE: 4260600 17.5618 103.901 -42.5997 103.902 22.736 46.3327 -42.5996 46.3322 -67.6463 GPRESSURE: 4260600 -30.7502 31.6846 -49.0682 118.423 92.957 -37.0471 -0.495892 34.8083 16.9144 PRESSAVG: 4260600 -23.814 -18.522 -26.207 -18.5221 -22.4659 21.5505 -26.207 21.5506 18.7548 GPRESSAVG: 4260600 -25.4226 -18.2484 -26.067 -20.6478 -23.2563 22.0857 -26.4801 20.8468 20.8431 TIMING: 4260600 CPU: 12335.5, 0.00285922/step Wall: 12335.5, 0.00285922/step, 0.587253 hours remaining, 210.679688 MB of memory in use. ENERGY: 4260600 818.6098 2131.9803 1926.4988 119.2465 -206248.1693 17911.1634 0.0000 0.0000 34435.6402 -148905.0304 300.7350 -183340.6705 -148809.1712 300.8564 -9.1162 26.3737 558113.4292 -9.1750 -9.2786 PRESSURE: 4260800 -196.492 50.8941 -2.11336 50.8954 -117.487 98.3073 -2.11239 98.307 -13.6655 GPRESSURE: 4260800 -148.526 75.4858 -60.1381 12.2947 -122.518 93.1919 -40.6372 115.078 35.3867 PRESSAVG: 4260800 8.80301 -36.8051 -35.9224 -36.8051 -3.93864 28.8243 -35.9223 28.8243 0.0501759 GPRESSAVG: 4260800 10.4078 -35.1679 -36.1835 -35.6392 -3.67954 28.0211 -35.3037 29.0606 -1.83132 TIMING: 4260800 CPU: 12336.1, 0.00288787/step Wall: 12336.1, 0.00288787/step, 0.592976 hours remaining, 210.679688 MB of memory in use. ENERGY: 4260800 775.8448 2074.1102 1940.6701 112.9968 -205963.8977 17722.1916 0.0000 0.0000 34613.7412 -148724.3429 302.2904 -183338.0841 -148628.1000 300.1693 -109.2149 -78.5522 557555.8061 1.6382 1.6323 PRESSURE: 4261000 322.54 -142.504 -0.78059 -142.504 -390.499 -47.7478 -0.781156 -47.7498 128.075 GPRESSURE: 4261000 269.95 -170.99 32.5486 -200.162 -300.876 33.8134 -18.5197 -135.196 170.388 PRESSAVG: 4261000 5.5301 -24.6179 -10.4855 -24.6179 -62.1259 -25.5587 -10.4856 -25.5587 72.7307 GPRESSAVG: 4261000 4.73151 -24.9617 -10.6993 -25.8788 -62.4919 -26.0927 -8.70687 -25.4042 73.8251 TIMING: 4261000 CPU: 12336.6, 0.00286254/step Wall: 12336.6, 0.00286254/step, 0.587616 hours remaining, 210.679688 MB of memory in use. ENERGY: 4261000 753.4174 2121.6645 1918.6865 98.4757 -205896.8688 17611.6439 0.0000 0.0000 34522.3683 -148870.6125 301.4924 -183392.9808 -148777.1287 300.7099 20.0384 46.4872 557369.5358 5.3783 5.3549 PRESSURE: 4261200 37.8825 -25.2776 21.3466 -25.2781 329.366 -15.0303 21.3465 -15.0311 311.187 GPRESSURE: 4261200 86.2228 -94.3948 8.77531 61.5266 362.714 144.576 -20.864 -124.914 319.074 PRESSAVG: 4261200 47.1361 -75.7232 26.9079 -75.7232 -32.6766 13.7691 26.9079 13.7691 -24.3502 GPRESSAVG: 4261200 46.5333 -77.3273 27.7731 -73.3561 -31.247 13.1442 24.9569 14.2853 -25.7622 TIMING: 4261200 CPU: 12337.2, 0.00288906/step Wall: 12337.2, 0.00288906/step, 0.592898 hours remaining, 210.679688 MB of memory in use. ENERGY: 4261200 708.8479 2087.8367 1969.4588 123.3300 -206474.4620 18384.6889 0.0000 0.0000 34501.0607 -148699.2390 301.3063 -183200.2997 -148597.0629 300.7269 226.1452 256.0033 560043.8654 -3.2969 -3.4920 PRESSURE: 4261400 -160.899 49.1015 72.0359 49.1006 167.665 -82.7247 72.0362 -82.724 68.4813 GPRESSURE: 4261400 -32.6174 44.648 -23.4237 12.209 198.462 -72.246 119.423 -80.0279 14.7935 PRESSAVG: 4261400 11.0942 -38.567 20.7976 -38.5671 30.5065 -13.5184 20.7977 -13.5183 -49.6632 GPRESSAVG: 4261400 12.2577 -36.401 21.0987 -38.0126 29.7417 -10.6926 20.3325 -13.0806 -49.6738 TIMING: 4261400 CPU: 12337.8, 0.00288933/step Wall: 12337.8, 0.00288933/step, 0.592794 hours remaining, 210.679688 MB of memory in use. ENERGY: 4261400 770.6637 2092.7199 1953.5915 121.9971 -206176.0834 18051.8534 0.0000 0.0000 34533.9373 -148651.3203 301.5935 -183185.2577 -148544.6189 301.2631 25.0825 60.2127 559251.2321 -2.6875 -2.5581 PRESSURE: 4261600 -209.206 23.3632 -75.1146 23.3634 -127.161 21.1242 -75.1131 21.1235 194.752 GPRESSURE: 4261600 -144.572 83.7437 -32.1769 3.54069 -56.6708 48.0234 -6.30316 -65.4551 156.591 PRESSAVG: 4261600 -35.4909 -17.0564 -37.6344 -17.0565 -4.24024 -16.5603 -37.6345 -16.5604 41.5734 GPRESSAVG: 4261600 -36.6455 -16.4607 -38.3956 -18.7697 -4.14269 -16.6542 -38.1916 -18.0243 42.428 TIMING: 4261600 CPU: 12338.4, 0.00289065/step Wall: 12338.4, 0.00289065/step, 0.592904 hours remaining, 210.679688 MB of memory in use. ENERGY: 4261600 765.8055 2154.0191 1939.2513 132.7362 -206242.2737 17911.1139 0.0000 0.0000 34499.0025 -148840.3452 301.2884 -183339.3477 -148738.1901 300.8433 -47.2050 -14.8838 559028.7859 0.6141 0.5466 PRESSURE: 4261800 -81.2346 -97.0833 82.9742 -97.0843 -177.02 195.405 82.9743 195.406 -472.793 GPRESSURE: 4261800 -6.27956 -83.649 168.839 -103.052 -164.363 185.63 61.2788 192.536 -461.006 PRESSAVG: 4261800 -10.6604 -49.4384 54.9148 -49.4383 -23.0647 3.56842 54.9148 3.56841 -17.6143 GPRESSAVG: 4261800 -10.7864 -48.2429 57.0294 -49.2102 -23.0365 1.06383 55.861 5.73515 -17.5998 TIMING: 4261800 CPU: 12338.9, 0.00286465/step Wall: 12338.9, 0.00286465/step, 0.587413 hours remaining, 210.679688 MB of memory in use. ENERGY: 4261800 743.6253 2137.5741 1919.4025 118.0971 -205478.8870 17410.8059 0.0000 0.0000 34218.3182 -148931.0639 298.8371 -183149.3821 -148829.8463 300.0279 -243.6826 -210.5497 559120.6387 -17.1131 -17.1409 PRESSURE: 4262000 -169.086 -111.835 -60.5815 -111.836 -89.4154 -96.1256 -60.5816 -96.1255 -96.0135 GPRESSURE: 4262000 -186.921 -196.791 -148.339 -86.3833 -25.1348 -90.8246 -25.2348 -138.22 -48.948 PRESSAVG: 4262000 -2.8144 -62.0474 24.2075 -62.0473 -3.74995 22.0096 24.2074 22.0096 43.664 GPRESSAVG: 4262000 -2.07162 -65.0172 20.3871 -60.7722 -4.39474 21.7282 23.763 21.308 42.9716 TIMING: 4262000 CPU: 12339.5, 0.00288897/step Wall: 12339.5, 0.00288897/step, 0.592238 hours remaining, 210.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4262000 782.4234 2124.4756 1948.6233 112.7150 -205626.5624 17445.0663 0.0000 0.0000 34272.4944 -148940.7644 299.3102 -183213.2588 -148845.4699 300.7877 -118.1718 -87.0013 556919.9510 12.3665 12.1684 PRESSURE: 4262200 47.8837 22.8047 2.29992 22.8051 25.6834 34.0229 2.30094 34.0235 -177.769 GPRESSURE: 4262200 37.3647 -53.9728 68.9553 178.646 55.9347 -58.4855 -47.3527 93.4129 -110.823 PRESSAVG: 4262200 -37.7456 4.31958 64.3526 4.3196 17.9879 1.11602 64.3525 1.11595 -31.2379 GPRESSAVG: 4262200 -37.9223 7.75271 65.5393 2.41958 18.7463 2.79026 63.6999 -0.159657 -31.1673 TIMING: 4262200 CPU: 12340.1, 0.00287545/step Wall: 12340.1, 0.00287545/step, 0.589307 hours remaining, 210.679688 MB of memory in use. ENERGY: 4262200 740.5229 2108.0914 1923.1968 110.2065 -205502.3361 17482.2541 0.0000 0.0000 34279.2752 -148858.7892 299.3694 -183138.0644 -148762.8469 300.4585 -34.7339 -5.8413 557021.9403 -16.9985 -16.7811 PRESSURE: 4262400 -417.541 -109.343 87.9721 -109.343 -211.181 21.8685 87.9721 21.8684 -224.789 GPRESSURE: 4262400 -380.279 -142.43 16.9513 -28.0284 -162.861 28.673 117.915 31.881 -221.325 PRESSAVG: 4262400 -61.6194 -44.8903 -0.107867 -44.8904 107.113 27.8516 -0.107853 27.8517 -19.8765 GPRESSAVG: 4262400 -61.1581 -48.402 0.302139 -43.4918 106.976 27.4759 0.885952 28.1303 -19.7026 TIMING: 4262400 CPU: 12340.7, 0.00287053/step Wall: 12340.7, 0.00287053/step, 0.58814 hours remaining, 210.679688 MB of memory in use. ENERGY: 4262400 747.6327 2062.6453 1951.5390 117.4809 -205582.8106 17283.1288 0.0000 0.0000 34385.9504 -149034.4335 300.3011 -183420.3839 -148941.9798 300.0629 -284.5035 -254.8215 558023.5512 8.5389 8.7050 PRESSURE: 4262600 -437.141 -24.9009 -93.3873 -24.9004 -28.0692 -64.7215 -93.3881 -64.7206 -282.241 GPRESSURE: 4262600 -422.632 -5.90398 -178.268 13.4234 -2.42035 -12.119 -71.2565 -36.3621 -217.311 PRESSAVG: 4262600 -21.6892 -43.479 2.50501 -43.479 -58.8688 31.2428 2.50505 31.2428 68.6281 GPRESSAVG: 4262600 -22.2435 -44.0556 1.72872 -44.4333 -58.9301 33.6258 1.78598 34.4165 69.1673 TIMING: 4262600 CPU: 12341.2, 0.00285745/step Wall: 12341.2, 0.00285744/step, 0.5853 hours remaining, 210.679688 MB of memory in use. ENERGY: 4262600 739.8820 2132.2690 1937.2946 118.6249 -205892.2697 17332.0498 0.0000 0.0000 34438.3044 -149193.8451 300.7583 -183632.1494 -149092.0849 299.4840 -249.1503 -214.1210 558016.2510 -3.9766 -4.0021 PRESSURE: 4262800 -351.275 79.1793 124.796 79.1804 -78.3499 50.9566 124.796 50.9562 -44.9324 GPRESSURE: 4262800 -304.447 104.158 126.468 71.9152 -73.2143 104.839 115.029 21.7575 4.92599 PRESSAVG: 4262800 52.2663 -19.0645 7.35309 -19.0646 -4.02709 48.9444 7.3531 48.9445 -40.0959 GPRESSAVG: 4262800 52.7364 -16.6579 7.77724 -18.8755 -4.53864 49.1608 8.22188 46.3546 -40.2093 TIMING: 4262800 CPU: 12341.8, 0.00287752/step Wall: 12341.8, 0.00287752/step, 0.589251 hours remaining, 210.679688 MB of memory in use. ENERGY: 4262800 729.2613 2112.0789 1912.5809 117.2809 -205764.0375 17480.3715 0.0000 0.0000 34337.6766 -149074.7875 299.8795 -183412.4641 -148983.0974 299.6704 -158.1857 -124.2450 557158.0877 2.7144 2.6628 PRESSURE: 4263000 303.863 -40.1774 -97.9357 -40.1775 52.7691 -28.1914 -97.9364 -28.1921 324.313 GPRESSURE: 4263000 330.147 -60.1089 -117.369 -3.10849 113.815 -50.1159 -23.863 -38.735 336.115 PRESSAVG: 4263000 16.2891 -9.53641 27.8986 -9.53653 -24.1409 18.0632 27.8986 18.0632 50.3324 GPRESSAVG: 4263000 15.6021 -10.3764 28.8647 -9.05038 -22.4753 14.2812 24.827 18.7701 49.5864 TIMING: 4263000 CPU: 12342.4, 0.00288901/step Wall: 12342.4, 0.00288901/step, 0.591445 hours remaining, 210.679688 MB of memory in use. ENERGY: 4263000 721.5101 2090.3365 1961.5865 126.8889 -206433.7152 18186.2372 0.0000 0.0000 34372.7988 -148974.3571 300.1862 -183347.1559 -148878.6635 300.5138 226.9816 260.0256 556303.7271 14.1602 14.2378 PRESSURE: 4263200 187.926 -160.525 49.0199 -160.527 148.19 -23.8524 49.0197 -23.8528 55.2591 GPRESSURE: 4263200 247.525 -113.325 -33.1121 -134.06 222.574 14.479 130.346 -87.3651 19.6016 PRESSAVG: 4263200 0.195509 -48.4283 -64.7243 -48.4284 10.1748 -39.0622 -64.7243 -39.0624 32.3513 GPRESSAVG: 4263200 1.58311 -47.9263 -67.5792 -51.0209 9.50469 -38.2282 -61.4785 -38.9155 31.744 TIMING: 4263200 CPU: 12343, 0.00288195/step Wall: 12343, 0.00288195/step, 0.58984 hours remaining, 210.679688 MB of memory in use. ENERGY: 4263200 760.6802 2051.2076 1950.0624 109.1953 -206314.2815 18038.1037 0.0000 0.0000 34522.1936 -148882.8387 301.4909 -183405.0323 -148791.0723 300.4955 130.4584 163.2336 555636.9086 14.2405 14.2773 PRESSURE: 4263400 136.772 8.92993 -39.4464 8.93107 -113.448 106.65 -39.4466 106.649 -347.479 GPRESSURE: 4263400 150.079 7.54098 -2.85682 115.199 -110.156 155.187 -124.926 64.922 -268.437 PRESSAVG: 4263400 62.5769 12.0094 56.9355 12.0094 -52.3988 -32.6868 56.9355 -32.6868 -34.6197 GPRESSAVG: 4263400 61.8428 11.872 58.784 14.0273 -52.793 -30.9084 56.2711 -33.2001 -33.6314 TIMING: 4263400 CPU: 12343.5, 0.00287848/step Wall: 12343.5, 0.00287848/step, 0.58897 hours remaining, 210.679688 MB of memory in use. ENERGY: 4263400 773.3022 2125.2889 1933.2772 100.9424 -205910.0361 17685.3607 0.0000 0.0000 34421.7044 -148870.1603 300.6133 -183291.8647 -148772.3404 299.9283 -108.0520 -76.1712 557452.4719 -8.1472 -8.1939 PRESSURE: 4263600 497.042 -84.2649 32.5018 -84.2656 270.563 94.7548 32.5012 94.7559 143.083 GPRESSURE: 4263600 512.217 -47.3208 158.204 -146.323 297.904 110.28 -18.5735 62.304 201.825 PRESSAVG: 4263600 61.8015 26.6012 20.6653 26.6011 -53.2188 28.564 20.6653 28.564 -16.0762 GPRESSAVG: 4263600 60.9119 26.2757 21.4858 27.7517 -53.2553 28.5557 20.491 28.0662 -14.9997 TIMING: 4263600 CPU: 12344.1, 0.00288511/step Wall: 12344.1, 0.00288511/step, 0.590165 hours remaining, 210.679688 MB of memory in use. ENERGY: 4263600 730.7231 2114.6532 1971.0170 112.0590 -206692.2437 18264.2507 0.0000 0.0000 34456.5880 -149042.9527 300.9180 -183499.5407 -148941.9717 300.5323 303.5627 337.3155 555968.8877 -2.4979 -2.4477 PRESSURE: 4263800 57.4027 80.0324 -105.564 80.0312 -220.333 57.9974 -105.562 57.9967 10.4613 GPRESSURE: 4263800 66.6364 59.0845 -100.948 112.428 -173.396 49.3986 -79.268 9.97077 53.735 PRESSAVG: 4263800 31.9586 1.64406 24.719 1.64406 -43.1042 1.11505 24.7189 1.11531 16.0556 GPRESSAVG: 4263800 32.8773 2.61061 24.2153 -0.730905 -42.9862 -0.948304 25.4987 2.35101 14.8323 TIMING: 4263800 CPU: 12344.7, 0.00287799/step Wall: 12344.7, 0.00287799/step, 0.588548 hours remaining, 210.679688 MB of memory in use. ENERGY: 4263800 739.5678 2156.8755 1932.4498 117.2499 -206117.4197 17759.4327 0.0000 0.0000 34098.1854 -149313.6587 297.7879 -183411.8441 -149217.8017 299.8387 -50.8231 -17.6748 556917.2562 1.6367 1.5745 PRESSURE: 4264000 -259.392 19.0652 67.2984 19.0643 -92.835 -116.652 67.2982 -116.653 89.0503 GPRESSURE: 4264000 -214.513 49.7027 71.8624 0.959771 -8.27984 -99.272 50.2259 -150.401 62.4226 PRESSAVG: 4264000 -70.4496 7.48726 9.39286 7.48727 -5.30788 -14.4916 9.39284 -14.4917 43.9558 GPRESSAVG: 4264000 -70.6121 5.62968 7.06522 8.75838 -3.4788 -12.2661 8.71653 -15.9458 42.3274 TIMING: 4264000 CPU: 12345.3, 0.00286654/step Wall: 12345.3, 0.00286654/step, 0.586048 hours remaining, 210.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4264000 751.5445 2085.5470 1921.8325 110.1912 -206098.2238 17641.3526 0.0000 0.0000 34217.1902 -149370.5659 298.8272 -183587.7561 -149273.5991 298.7364 -87.7257 -53.4567 556430.0968 -10.6006 -10.5879 PRESSURE: 4264200 -6.6536 -54.4901 -86.8389 -54.4914 -32.5721 162.896 -86.8387 162.896 219.152 GPRESSURE: 4264200 12.5447 -54.6146 -46.8135 -98.3272 -31.0066 207.445 -199.848 41.605 281.375 PRESSAVG: 4264200 37.8145 24.091 14.2598 24.091 -25.4554 20.5855 14.2598 20.5855 -3.21685 GPRESSAVG: 4264200 36.801 27.7825 14.7587 23.3264 -26.5015 19.5777 15.2319 20.9385 -1.72122 TIMING: 4264200 CPU: 12345.8, 0.00289239/step Wall: 12345.8, 0.00289239/step, 0.591173 hours remaining, 210.679688 MB of memory in use. ENERGY: 4264200 705.0735 2093.2455 1948.7267 105.8728 -206629.3579 17979.2106 0.0000 0.0000 34205.9961 -149591.2327 298.7295 -183797.2288 -149490.7453 298.5829 59.9756 87.6376 557743.0338 3.0474 2.8594 LDB: ============= START OF LOAD BALANCING ============== 12349.2 LDB: ============== END OF LOAD BALANCING =============== 12349.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12349.2 LDB: ============= START OF LOAD BALANCING ============== 12349.5 LDB: Largest compute 4773 load 0.025905 is 21.9% of average load 0.118053 LDB: Average compute 0.001725 is 1.5% of average load 0.118053 LDB: TIME 12349.5 LOAD: AVG 0.118053 MAX 0.179627 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.613 MB LDB: TIME 12349.5 LOAD: AVG 0.118053 MAX 0.179627 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.613 MB LDB: TIME 12349.5 LOAD: AVG 0.118053 MAX 0.179627 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.613 MB LDB: ============== END OF LOAD BALANCING =============== 12349.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12349.5 PRESSURE: 4264400 -67.915 -55.9678 -85.0505 -55.9668 -122.908 -94.2352 -85.0501 -94.2353 89.0346 GPRESSURE: 4264400 -22.6604 -73.4611 -25.3726 -3.65851 -95.5691 -23.2082 -169.53 -146.967 99.292 PRESSAVG: 4264400 47.2197 -0.0466778 2.13914 -0.0466889 -15.2555 -6.40983 2.13917 -6.40988 1.21387 GPRESSAVG: 4264400 48.1768 -3.35056 2.00146 0.275012 -16.653 -6.14172 1.52601 -6.28826 1.52719 TIMING: 4264400 CPU: 12346.4, 0.00296611/step Wall: 12346.4, 0.00296611/step, 0.606074 hours remaining, 209.843750 MB of memory in use. ENERGY: 4264400 759.7678 2150.2486 1932.0784 108.5954 -206386.8410 17755.8941 0.0000 0.0000 34248.3150 -149431.9417 299.0991 -183680.2567 -149338.0577 298.3031 -33.9294 -6.3125 557261.5664 11.0594 11.0170 PRESSURE: 4264600 110.203 310.307 -120.15 310.308 179.945 -107.618 -120.15 -107.618 104.483 GPRESSURE: 4264600 142.881 317.244 -115.751 288.289 220.439 -75.7493 -133.294 -15.7279 134.669 PRESSAVG: 4264600 46.2111 -16.5538 -26.3927 -16.5538 19.5463 -77.6287 -26.3927 -77.6287 -41.3625 GPRESSAVG: 4264600 46.1738 -17.0463 -24.9868 -16.1801 19.135 -79.0572 -25.7255 -76.7597 -41.3872 TIMING: 4264600 CPU: 12347, 0.00288887/step Wall: 12347, 0.00288887/step, 0.590133 hours remaining, 209.843750 MB of memory in use. ENERGY: 4264600 774.6225 2178.6768 1949.6319 105.3233 -206665.2180 18224.1486 0.0000 0.0000 34246.2383 -149186.5765 299.0809 -183432.8148 -149088.5140 299.1247 131.5435 165.9964 557617.3459 8.1317 7.9739 PRESSURE: 4264800 155.38 20.2931 -3.17786 20.2935 -206.045 -73.6922 -3.17837 -73.692 -253.883 GPRESSURE: 4264800 188.447 40.9377 44.4485 36.8458 -165.553 -56.1036 -6.33764 -106.976 -236.185 PRESSAVG: 4264800 23.4043 -2.70216 31.8197 -2.70208 -34.6776 -21.8387 31.8197 -21.8387 15.3524 GPRESSAVG: 4264800 24.1273 -0.810667 31.3954 -1.26383 -36.2398 -21.9663 31.2999 -23.396 16.1069 TIMING: 4264800 CPU: 12347.6, 0.00286583/step Wall: 12347.6, 0.00286583/step, 0.585265 hours remaining, 209.843750 MB of memory in use. ENERGY: 4264800 710.8852 2104.5152 1953.4999 114.3113 -206032.1246 17739.5326 0.0000 0.0000 34305.3616 -149104.0188 299.5973 -183409.3804 -149005.5256 299.1603 -101.5159 -71.0971 558816.1131 1.3597 1.3315 PRESSURE: 4265000 258.633 -134.921 -118.141 -134.921 -225.713 -14.1922 -118.14 -14.1932 287.32 GPRESSURE: 4265000 321.283 -140.329 -40.3072 -140.455 -202.542 73.8936 -98.8808 30.6918 293.424 PRESSAVG: 4265000 63.9964 -33.2873 -46.565 -33.2872 -77.0987 -4.66897 -46.565 -4.66897 -4.3327 GPRESSAVG: 4265000 64.2312 -33.4752 -47.1691 -35.5841 -75.6259 -3.09919 -46.6435 -4.35204 -5.95626 TIMING: 4265000 CPU: 12348.2, 0.00289347/step Wall: 12348.2, 0.00289347/step, 0.590749 hours remaining, 209.843750 MB of memory in use. ENERGY: 4265000 724.6305 2088.4094 1906.3621 110.5736 -205921.0178 17800.2816 0.0000 0.0000 34167.5735 -149123.1871 298.3939 -183290.7606 -149034.9132 299.1429 106.7466 137.3883 555982.9608 -5.8117 -5.7837 PRESSURE: 4265200 97.2272 -54.1198 -27.2167 -54.1196 40.1348 2.45955 -27.2159 2.4589 148.213 GPRESSURE: 4265200 136.377 -43.3465 64.2204 -47.6254 56.1322 -90.2889 -83.6129 3.56658 199.782 PRESSAVG: 4265200 70.6956 -22.2757 -23.443 -22.2756 -10.0015 -10.24 -23.4429 -10.24 -11.236 GPRESSAVG: 4265200 70.6602 -22.4574 -21.5736 -23.008 -9.89051 -11.5117 -24.3556 -9.75022 -11.7094 TIMING: 4265200 CPU: 12348.7, 0.00291881/step Wall: 12348.7, 0.00291881/step, 0.595762 hours remaining, 209.843750 MB of memory in use. ENERGY: 4265200 725.9254 2058.2551 1923.5557 113.3130 -206071.9879 17772.8632 0.0000 0.0000 34384.2338 -149093.8418 300.2861 -183478.0755 -148998.1587 299.8369 95.1917 130.7637 554682.8861 16.4860 16.3534 PRESSURE: 4265400 -274.7 33.888 0.944335 33.8875 -63.9912 103.747 0.944347 103.746 -165.263 GPRESSURE: 4265400 -247.845 -30.5502 32.4655 67.2034 -30.5333 155.034 -100.488 101.566 -128.866 PRESSAVG: 4265400 18.6693 -12.4763 -24.1062 -12.4762 -13.0516 28.5431 -24.1061 28.5432 1.09182 GPRESSAVG: 4265400 17.9272 -12.0419 -25.6952 -10.4471 -13.4999 28.6969 -22.6938 28.8355 2.3577 TIMING: 4265400 CPU: 12349.3, 0.00290599/step Wall: 12349.3, 0.00290599/step, 0.592983 hours remaining, 209.843750 MB of memory in use. ENERGY: 4265400 732.7250 2047.2286 1923.1560 102.9980 -205596.8113 17417.4176 0.0000 0.0000 34327.1878 -149046.0982 299.7879 -183373.2860 -148947.9385 299.1398 -167.9848 -135.7482 558174.8950 2.2365 2.2617 PRESSURE: 4265600 -45.0541 149.956 -9.93455 149.956 -92.537 52.3598 -9.93547 52.3593 -222.132 GPRESSURE: 4265600 -44.212 196.185 -48.4267 121.79 -53.653 84.8669 19.6651 82.4441 -173.552 PRESSAVG: 4265600 -50.0469 57.0258 -39.5764 57.0259 49.335 25.0582 -39.5763 25.0581 10.604 GPRESSAVG: 4265600 -49.6227 55.9129 -39.9627 57.1326 49.9251 28.1933 -38.8698 24.1177 9.466 TIMING: 4265600 CPU: 12349.9, 0.00288823/step Wall: 12349.9, 0.00288823/step, 0.5892 hours remaining, 209.843750 MB of memory in use. ENERGY: 4265600 786.0150 2059.6310 1924.1375 117.3721 -206119.0585 17779.6850 0.0000 0.0000 34397.7348 -149054.4831 300.4040 -183452.2179 -148951.2068 299.5899 -119.9078 -90.4722 557865.7122 3.2974 3.2562 PRESSURE: 4265800 -530.992 53.5167 140.937 53.5168 -162.995 148.272 140.938 148.269 -406.549 GPRESSURE: 4265800 -444.023 90.8413 209.094 -6.05904 -169.723 179.554 67.9472 105.193 -362.029 PRESSAVG: 4265800 -41.6071 16.0851 -29.5537 16.0851 42.5904 29.5912 -29.5538 29.5912 -58.1096 GPRESSAVG: 4265800 -41.678 16.036 -28.321 15.3147 41.4902 27.1573 -31.7592 30.4543 -57.2893 TIMING: 4265800 CPU: 12350.5, 0.00287299/step Wall: 12350.5, 0.00287299/step, 0.58593 hours remaining, 209.843750 MB of memory in use. ENERGY: 4265800 774.0814 2091.7888 1931.6423 101.9886 -205847.9877 17460.7253 0.0000 0.0000 34202.3924 -149285.3689 298.6980 -183487.7613 -149191.0991 299.0877 -366.8452 -325.2587 558527.2789 -19.0421 -19.1590 PRESSURE: 4266000 -63.1251 -105.794 -80.9738 -105.794 38.6318 -99.0051 -80.9733 -99.0053 86.1754 GPRESSURE: 4266000 -25.3749 -34.0106 -94.5098 -90.1176 59.4337 -194.116 -162.857 2.69918 125.706 PRESSAVG: 4266000 27.7072 -14.2139 -23.6121 -14.2139 19.6603 -27.5064 -23.612 -27.5065 -70.0861 GPRESSAVG: 4266000 27.6171 -13.351 -23.8481 -12.6781 20.9739 -29.2302 -21.3569 -27.1595 -71.1722 TIMING: 4266000 CPU: 12351.1, 0.00286991/step Wall: 12351.1, 0.00286991/step, 0.585143 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4266000 754.1492 2124.2475 1953.9827 102.8126 -206281.0947 17866.5616 0.0000 0.0000 34324.5840 -149154.7571 299.7651 -183479.3411 -149057.0809 299.0160 20.5607 53.2548 557562.8451 -7.5728 -7.5271 PRESSURE: 4266200 -195.788 109.001 -60.8794 109.002 -93.2182 -103.176 -60.8791 -103.175 45.4747 GPRESSURE: 4266200 -148.86 115.345 37.7814 36.3185 -20.9001 -52.5071 -51.0388 -55.6422 20.6157 PRESSAVG: 4266200 -40.7644 -24.1453 -11.2622 -24.1453 58.2347 -3.84551 -11.2622 -3.84548 -42.3775 GPRESSAVG: 4266200 -38.8082 -24.3162 -11.144 -24.9091 56.8559 -1.62915 -13.0887 -4.48733 -43.4032 TIMING: 4266200 CPU: 12351.6, 0.00290374/step Wall: 12351.6, 0.00290374/step, 0.59188 hours remaining, 209.843750 MB of memory in use. ENERGY: 4266200 708.3588 2058.5916 1964.7835 116.5813 -206058.5715 17682.5794 0.0000 0.0000 34258.0373 -149269.6396 299.1840 -183527.6770 -149166.7973 298.9198 -81.1771 -49.7148 557819.1597 -8.3024 -8.4518 PRESSURE: 4266400 -59.9942 -118.982 28.1503 -118.983 235.661 14.3724 28.1502 14.3719 107.231 GPRESSURE: 4266400 -1.23901 -78.6194 -24.9044 -13.239 291.81 0.207469 28.986 39.363 99.5824 PRESSAVG: 4266400 -75.8661 -13.6735 -73.8236 -13.6733 36.0164 1.70693 -73.8235 1.70697 29.4834 GPRESSAVG: 4266400 -76.7743 -16.4843 -75.7184 -11.7936 35.9334 1.08643 -72.4131 0.847314 30.1378 TIMING: 4266400 CPU: 12352.2, 0.00288122/step Wall: 12352.2, 0.00288122/step, 0.587129 hours remaining, 209.843750 MB of memory in use. ENERGY: 4266400 773.7011 2126.5287 1904.7634 110.4596 -206864.3859 18196.9320 0.0000 0.0000 34382.8770 -149369.1241 300.2742 -183752.0011 -149271.6131 298.3097 94.2995 130.0510 556618.1223 -3.4554 -3.5677 PRESSURE: 4266600 109.599 -180.082 -79.2021 -180.081 235.758 23.7134 -79.2027 23.713 -17.6209 GPRESSURE: 4266600 152.108 -220.432 -109.033 -146.536 244.794 27.2825 -112.536 17.6854 34.4754 PRESSAVG: 4266600 28.8153 3.83522 -7.36031 3.8352 -42.8295 14.2334 -7.36031 14.2333 34.3784 GPRESSAVG: 4266600 27.5554 6.64597 -6.99353 2.79313 -43.2141 13.3527 -6.56157 14.8611 35.8937 TIMING: 4266600 CPU: 12352.8, 0.0028822/step Wall: 12352.8, 0.0028822/step, 0.587169 hours remaining, 209.843750 MB of memory in use. ENERGY: 4266600 761.2710 2119.8520 1924.1463 109.0059 -206896.0506 18172.7422 0.0000 0.0000 34292.8515 -149516.1817 299.4880 -183809.0332 -149422.2496 299.0032 109.2452 143.7925 555645.6508 6.7880 6.7450 PRESSURE: 4266800 127.693 83.6453 -24.199 83.6452 32.3342 114.892 -24.1996 114.892 120.613 GPRESSURE: 4266800 162.588 123.58 -12.4679 158.341 37.226 95.8285 21.1095 99.5103 183.281 PRESSAVG: 4266800 -16.4846 1.72509 1.24583 1.72513 -7.3864 49.7171 1.24577 49.717 16.3305 GPRESSAVG: 4266800 -15.8521 1.57493 1.0542 1.01962 -7.58456 50.8673 1.60004 50.5291 16.5086 TIMING: 4266800 CPU: 12353.4, 0.0028986/step Wall: 12353.4, 0.0028986/step, 0.590347 hours remaining, 209.843750 MB of memory in use. ENERGY: 4266800 764.1213 2175.9358 1939.1461 105.7594 -206888.5088 18020.6704 0.0000 0.0000 34353.9024 -149528.9735 300.0212 -183882.8759 -149434.2079 298.2972 93.5466 127.6983 555359.1959 -2.5135 -2.3093 PRESSURE: 4267000 1.28777 34.2238 -169.897 34.2228 133.566 13.3659 -169.896 13.3651 -169.071 GPRESSURE: 4267000 32.1112 15.5069 -169.528 -14.1565 163.26 -31.2508 -124.511 31.3626 -130.483 PRESSAVG: 4267000 -6.88815 -78.311 12.2935 -78.3109 -25.4919 21.4911 12.2935 21.4912 54.0779 GPRESSAVG: 4267000 -6.20667 -79.0845 12.1179 -79.8586 -25.7523 22.862 12.2805 21.6769 53.7862 TIMING: 4267000 CPU: 12353.9, 0.00286543/step Wall: 12353.9, 0.00286543/step, 0.583434 hours remaining, 209.843750 MB of memory in use. ENERGY: 4267000 737.7404 2117.9806 1928.1276 102.1548 -206532.2634 17932.8914 0.0000 0.0000 34183.2484 -149530.1202 298.5308 -183713.3685 -149434.3516 298.8237 -11.4059 21.6294 557156.7916 7.2326 7.2758 PRESSURE: 4267200 -388.035 -50.1957 40.4829 -50.1961 -34.3605 -97.8444 40.4825 -97.8431 -119.501 GPRESSURE: 4267200 -351.543 -100.613 -20.1094 -39.8845 24.8045 -175.603 58.9135 -36.949 -110.791 PRESSAVG: 4267200 -68.6872 -6.07297 -16.793 -6.073 9.06542 -12.1216 -16.793 -12.1215 38.7734 GPRESSAVG: 4267200 -69.3104 -7.98222 -15.7796 -4.61088 10.2519 -14.9603 -18.4141 -12.2305 39.5022 TIMING: 4267200 CPU: 12354.5, 0.00288894/step Wall: 12354.5, 0.00288894/step, 0.58806 hours remaining, 209.843750 MB of memory in use. ENERGY: 4267200 716.8899 2098.1723 1936.3720 111.1455 -205916.5824 17373.3882 0.0000 0.0000 34024.9273 -149655.6872 297.1482 -183680.6145 -149564.8092 298.5071 -180.6322 -145.8431 556430.4084 -6.9494 -6.5187 PRESSURE: 4267400 -45.0463 -194.454 -147.154 -194.453 -9.79953 -139.181 -147.153 -139.182 96.3959 GPRESSURE: 4267400 -48.4819 -291.904 -123.57 -182.728 42.9537 -60.8914 -158.856 -183.304 146.278 PRESSAVG: 4267400 -24.6031 -90.2302 -4.77132 -90.2303 50.8091 -60.1384 -4.77127 -60.1383 34.2061 GPRESSAVG: 4267400 -25.8556 -91.115 -4.27027 -89.7854 52.5529 -57.8495 -5.71407 -59.0954 34.0543 TIMING: 4267400 CPU: 12355.1, 0.0028737/step Wall: 12355.1, 0.0028737/step, 0.584798 hours remaining, 209.843750 MB of memory in use. ENERGY: 4267400 715.9168 2094.9541 1946.2728 114.2183 -206584.7938 17949.7198 0.0000 0.0000 34169.5903 -149594.1217 298.4115 -183763.7120 -149493.3601 298.0921 13.8500 46.9167 558099.5361 20.1374 20.2506 PRESSURE: 4267600 -159.507 52.6597 -105.117 52.6593 -83.7239 -229.279 -105.117 -229.277 49.6496 GPRESSURE: 4267600 -164.878 77.6954 -84.1639 32.0971 -40.666 -187.411 -90.9029 -221.681 103.946 PRESSAVG: 4267600 29.9283 5.61635 -38.261 5.61632 18.5398 -10.8979 -38.261 -10.898 -36.543 GPRESSAVG: 4267600 31.4267 5.41498 -39.446 5.97705 17.679 -11.0624 -34.4054 -11.2759 -37.3837 TIMING: 4267600 CPU: 12355.7, 0.00288656/step Wall: 12355.7, 0.00288656/step, 0.587254 hours remaining, 209.843750 MB of memory in use. ENERGY: 4267600 760.5662 2115.2613 1953.8162 112.1591 -205896.3650 17541.0936 0.0000 0.0000 33862.6287 -149550.8399 295.7308 -183413.4686 -149453.9278 297.8563 -64.5271 -33.8658 557499.3600 3.9750 3.9073 PRESSURE: 4267800 -89.6433 -59.8746 -57.7436 -59.8736 -54.3811 -101.428 -57.7442 -101.429 -61.8583 GPRESSURE: 4267800 -94.962 -40.7678 -88.394 -70.7921 26.0432 -131.907 9.62974 -96.2323 -47.3752 PRESSAVG: 4267800 12.1866 25.563 -89.947 25.5631 -15.1433 19.5963 -89.9471 19.5963 0.105912 GPRESSAVG: 4267800 12.3498 26.8114 -90.7374 25.4182 -15.4869 17.8434 -90.4098 18.8465 0.440977 TIMING: 4267800 CPU: 12356.2, 0.00288756/step Wall: 12356.2, 0.00288756/step, 0.587298 hours remaining, 209.843750 MB of memory in use. ENERGY: 4267800 719.4503 2123.3351 1937.2741 126.4375 -206298.7337 17817.3865 0.0000 0.0000 34194.9470 -149379.9033 298.6330 -183574.8502 -149280.2093 298.1950 -68.6276 -38.7647 556537.8670 -0.9503 -0.8987 PRESSURE: 4268000 216.795 -100.813 -32.4251 -100.813 41.5184 35.5224 -32.4262 35.5231 117.774 GPRESSURE: 4268000 228.66 -112.647 -116.209 -18.7555 114.764 -47.6506 -18.6179 27.2756 119.54 PRESSAVG: 4268000 16.7059 -33.472 -41.9513 -33.4721 3.15665 -28.48 -41.9512 -28.48 -24.3916 GPRESSAVG: 4268000 15.9859 -33.0738 -41.7483 -34.1971 3.54362 -27.2681 -43.3954 -29.2592 -24.2069 TIMING: 4268000 CPU: 12356.8, 0.00290492/step Wall: 12356.8, 0.00290492/step, 0.590667 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4268000 740.6607 2098.4237 1924.8479 112.4038 -206693.5425 18074.6565 0.0000 0.0000 34365.8968 -149376.6532 300.1259 -183742.5499 -149280.6468 298.8949 125.3626 154.3212 556734.5613 -1.5097 -1.5591 PRESSURE: 4268200 -41.1732 37.5402 -158.798 37.539 50.3193 -108.041 -158.8 -108.041 -205.818 GPRESSURE: 4268200 34.9139 11.3688 -135.503 100.269 25.4947 -176.195 -245.679 -24.815 -159.703 PRESSAVG: 4268200 97.909 9.6161 -6.48072 9.61608 -83.3204 15.2592 -6.48071 15.2591 5.55505 GPRESSAVG: 4268200 99.3116 9.41358 -4.7082 8.75065 -83.1029 13.3969 -6.99747 17.6824 4.41856 TIMING: 4268200 CPU: 12357.4, 0.00290497/step Wall: 12357.4, 0.00290497/step, 0.590515 hours remaining, 209.843750 MB of memory in use. ENERGY: 4268200 759.9882 2076.2298 1979.9248 109.9070 -206122.3463 17628.0087 0.0000 0.0000 34165.0272 -149403.2606 298.3717 -183568.2878 -149306.7499 298.6963 -65.5572 -33.0980 557608.9458 6.7146 6.8758 LDB: ============= START OF LOAD BALANCING ============== 12360.8 LDB: ============== END OF LOAD BALANCING =============== 12360.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12360.8 LDB: ============= START OF LOAD BALANCING ============== 12361.1 LDB: Largest compute 4773 load 0.026178 is 22.2% of average load 0.118065 LDB: Average compute 0.001729 is 1.5% of average load 0.118065 LDB: TIME 12361.1 LOAD: AVG 0.118065 MAX 0.180348 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.66 MB LDB: TIME 12361.1 LOAD: AVG 0.118065 MAX 0.180348 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.73 MB LDB: TIME 12361.1 LOAD: AVG 0.118065 MAX 0.180348 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12361.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12361.1 PRESSURE: 4268400 83.2597 94.8503 -106.433 94.8493 153.113 -8.91528 -106.434 -8.91447 -45.4399 GPRESSURE: 4268400 174.863 74.6492 -141.882 235.413 110.757 -89.5276 -102.867 2.25274 2.73779 PRESSAVG: 4268400 91.488 43.3798 -21.0033 43.3798 -53.8671 1.03506 -21.0032 1.03499 -14.9885 GPRESSAVG: 4268400 91.3315 44.3796 -22.4347 43.0159 -54.7142 2.52207 -21.7473 -0.0486659 -14.0872 TIMING: 4268400 CPU: 12358, 0.00295863/step Wall: 12358, 0.00295863/step, 0.601259 hours remaining, 211.250000 MB of memory in use. ENERGY: 4268400 740.3805 2127.9212 1945.0221 104.2459 -206396.4289 17975.0948 0.0000 0.0000 34310.9865 -149192.7778 299.6464 -183503.7643 -149097.9181 299.4994 63.6443 96.1192 557631.1575 7.5441 7.5100 PRESSURE: 4268600 -188.28 -125.139 18.1166 -125.137 -72.4646 -25.3957 18.1157 -25.3964 14.3424 GPRESSURE: 4268600 -158.616 -204.819 48.4281 -43.1556 -87.1155 45.8853 0.622656 -68.0244 97.9678 PRESSAVG: 4268600 22.5074 -10.6269 15.8964 -10.6268 -56.6758 6.05314 15.8964 6.05306 28.8291 GPRESSAVG: 4268600 22.2416 -11.6914 16.5332 -11.2 -56.1628 4.75602 17.4064 4.88983 28.9401 TIMING: 4268600 CPU: 12358.6, 0.0029046/step Wall: 12358.6, 0.0029046/step, 0.590119 hours remaining, 211.250000 MB of memory in use. ENERGY: 4268600 753.9225 2142.0535 1954.8951 99.4571 -206137.1052 17680.4317 0.0000 0.0000 34295.3754 -149210.9699 299.5100 -183506.3453 -149127.1906 299.9088 -82.1342 -49.2546 558007.8182 -1.7798 -1.6604 PRESSURE: 4268800 -55.2943 -58.9691 37.3652 -58.9702 -76.4828 -106.776 37.3652 -106.776 253.927 GPRESSURE: 4268800 9.76407 10.0827 36.8008 -10.0602 -13.6642 -0.792843 -27.2038 -108.054 231.173 PRESSAVG: 4268800 13.8333 -10.1015 -13.7174 -10.1016 -66.8039 -45.324 -13.7174 -45.324 56.3418 GPRESSAVG: 4268800 15.4658 -9.92416 -11.2655 -8.21145 -66.6371 -44.6263 -15.0627 -44.6158 54.8535 TIMING: 4268800 CPU: 12359.2, 0.00288667/step Wall: 12359.2, 0.00288667/step, 0.586314 hours remaining, 211.250000 MB of memory in use. ENERGY: 4268800 718.7855 2085.9402 1926.5196 110.9923 -206468.4235 17937.7418 0.0000 0.0000 34308.4994 -149379.9447 299.6247 -183688.4441 -149290.1072 299.2617 40.7166 75.7576 557854.1477 1.1238 1.2274 PRESSURE: 4269000 -81.5725 135.098 -222.422 135.097 23.658 -30.2896 -222.424 -30.2911 -196.025 GPRESSURE: 4269000 -63.7568 34.136 -247.274 173.807 49.6245 -74.0075 -162.847 -41.5774 -137.733 PRESSAVG: 4269000 34.9341 52.6417 37.2151 52.6416 -37.7527 -60.8058 37.2151 -60.8058 36.3915 GPRESSAVG: 4269000 35.4534 50.7801 33.1656 51.0113 -39.5969 -60.9981 37.048 -59.9966 37.7286 TIMING: 4269000 CPU: 12359.7, 0.00286697/step Wall: 12359.7, 0.00286697/step, 0.582154 hours remaining, 211.250000 MB of memory in use. ENERGY: 4269000 784.5893 2070.1919 1930.8784 107.0833 -206079.5079 17602.9908 0.0000 0.0000 34276.7047 -149307.0695 299.3470 -183583.7742 -149205.6535 299.1490 -84.6466 -50.6217 557639.5838 11.1910 11.1950 PRESSURE: 4269200 3.31486 59.8189 -125.392 59.8193 -4.79449 -113.205 -125.392 -113.206 -114.795 GPRESSURE: 4269200 54.5854 130.794 -120.519 50.1388 0.260461 -119.172 -79.2027 -113.823 -74.7484 PRESSAVG: 4269200 -12.4867 20.5466 1.45439 20.5466 33.1204 -16.7187 1.45439 -16.7187 -34.5562 GPRESSAVG: 4269200 -13.1675 21.0555 1.23588 22.051 33.8236 -17.8801 2.85435 -15.8683 -34.6549 TIMING: 4269200 CPU: 12360.3, 0.00286806/step Wall: 12360.3, 0.00286806/step, 0.582217 hours remaining, 211.250000 MB of memory in use. ENERGY: 4269200 731.5567 2119.3955 1947.2052 105.7134 -206313.6951 17755.9759 0.0000 0.0000 34238.2715 -149415.5770 299.0113 -183653.8485 -149322.0456 298.4231 -38.7584 -6.6342 558619.4744 -4.6409 -4.6663 PRESSURE: 4269400 34.0548 -37.0104 138.789 -37.0127 -25.2642 -33.103 138.789 -33.1034 -149.529 GPRESSURE: 4269400 83.3674 -41.8939 144.746 -76.8515 29.3179 -89.6401 101.369 -75.6914 -152.136 PRESSAVG: 4269400 9.78673 -52.7146 37.389 -52.7147 -2.37757 -42.363 37.389 -42.363 -19.2548 GPRESSAVG: 4269400 7.70989 -53.0484 39.7843 -53.0241 -1.147 -41.2426 37.827 -42.1103 -18.9208 TIMING: 4269400 CPU: 12360.9, 0.00288004/step Wall: 12360.9, 0.00288004/step, 0.584488 hours remaining, 211.250000 MB of memory in use. ENERGY: 4269400 729.9791 2093.2070 1947.1754 96.9018 -205981.8599 17613.3106 0.0000 0.0000 34094.9383 -149406.3476 297.7596 -183501.2859 -149310.8238 298.3703 -46.9128 -13.1503 558446.8050 -3.9485 -4.1193 PRESSURE: 4269600 -20.3644 -149.323 140.062 -149.322 -224.66 15.0314 140.062 15.0311 244.258 GPRESSURE: 4269600 -43.0223 -78.2035 113.74 -79.3633 -172.71 14.7758 169.081 -40.0449 327.331 PRESSAVG: 4269600 3.77414 -60.143 27.9387 -60.143 12.317 6.63673 27.9387 6.63674 -1.53319 GPRESSAVG: 4269600 3.53315 -59.8098 26.0155 -58.8194 11.7488 6.6694 26.4972 5.66221 -1.36268 TIMING: 4269600 CPU: 12361.5, 0.00289858/step Wall: 12361.5, 0.00289858/step, 0.58809 hours remaining, 211.250000 MB of memory in use. ENERGY: 4269600 729.0130 2165.4022 1931.8479 133.0459 -206190.7832 17817.9156 0.0000 0.0000 33945.8700 -149467.6887 296.4577 -183413.5587 -149376.0431 298.0917 -0.2555 37.1997 558758.8253 4.8527 4.6397 PRESSURE: 4269800 148.095 56.0555 22.6337 56.0576 -70.5596 -83.6142 22.635 -83.6137 -44.6022 GPRESSURE: 4269800 175.626 19.5354 -19.5949 158.649 -69.0173 -81.538 77.4793 -68.2339 11.2262 PRESSAVG: 4269800 3.93506 24.5382 7.1735 24.5383 -19.3887 -57.7517 7.17362 -57.7518 18.2154 GPRESSAVG: 4269800 4.45316 25.492 8.16726 23.5398 -19.4466 -57.3003 7.66967 -59.4682 17.4549 TIMING: 4269800 CPU: 12362, 0.0028807/step Wall: 12362, 0.0028807/step, 0.584303 hours remaining, 211.250000 MB of memory in use. ENERGY: 4269800 755.0103 2116.9016 1961.0936 104.7401 -206686.2571 18136.9120 0.0000 0.0000 34064.3359 -149547.2636 297.4923 -183611.5995 -149446.1939 298.3063 10.9776 39.2784 558691.0429 0.9206 0.8205 PRESSURE: 4270000 232.043 -126.5 51.449 -126.5 -84.497 98.0107 51.4491 98.0083 -211.663 GPRESSURE: 4270000 263.242 -52.8844 181.752 -41.3468 -69.9851 66.8043 30.3884 50.4624 -175.991 PRESSAVG: 4270000 36.1659 0.697737 -0.336958 0.697756 -21.768 -3.25765 -0.33701 -3.2576 -5.61839 GPRESSAVG: 4270000 37.5173 2.7755 -2.02626 0.402234 -22.5117 -4.25626 2.6574 -0.346914 -6.49478 TIMING: 4270000 CPU: 12362.6, 0.00288461/step Wall: 12362.6, 0.00288461/step, 0.584934 hours remaining, 211.250000 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: 4270000 764.1910 2112.3680 1925.8420 109.8686 -206444.7056 17726.6939 0.0000 0.0000 34275.5020 -149530.2401 299.3365 -183805.7420 -149433.5449 298.4224 -21.3725 5.7552 556980.2786 2.9265 2.8369 PRESSURE: 4270200 101.092 37.1475 101.191 37.147 -63.2986 -7.22941 101.192 -7.23046 196.109 GPRESSURE: 4270200 147.039 12.7398 73.8133 -3.91906 -31.4734 30.3424 132.055 -50.0111 214.008 PRESSAVG: 4270200 -27.7204 27.3737 1.31796 27.3736 5.49437 -8.94449 1.31796 -8.94453 -31.7631 GPRESSAVG: 4270200 -27.2773 27.5285 4.43009 26.422 5.88921 -9.8492 -1.03732 -8.22851 -32.631 TIMING: 4270200 CPU: 12363.2, 0.00290004/step Wall: 12363.2, 0.00290004/step, 0.587903 hours remaining, 211.250000 MB of memory in use. ENERGY: 4270200 703.3523 2090.1348 1941.3376 110.0807 -206422.1578 17846.7382 0.0000 0.0000 34103.8750 -149626.6392 297.8376 -183730.5142 -149532.7219 298.1114 77.9677 109.8579 556653.6837 -17.9964 -18.0064 PRESSURE: 4270400 15.0486 118.319 -36.2941 118.319 38.8611 -14.543 -36.2952 -14.5429 -231.977 GPRESSURE: 4270400 61.4956 97.1332 -128.688 168.907 42.4472 -9.05663 9.42853 2.81323 -175.554 PRESSAVG: 4270400 -13.7558 -11.3039 27.0143 -11.3039 -12.3469 -54.518 27.0143 -54.5179 17.3058 GPRESSAVG: 4270400 -15.2111 -14.6184 25.4295 -9.88077 -12.1091 -52.8317 26.9977 -56.3005 18.4187 TIMING: 4270400 CPU: 12363.8, 0.00287883/step Wall: 12363.8, 0.00287883/step, 0.583443 hours remaining, 211.250000 MB of memory in use. ENERGY: 4270400 731.7877 2097.4851 1940.4896 108.5121 -206569.3368 17800.8805 0.0000 0.0000 34195.9085 -149694.2733 298.6414 -183890.1818 -149594.1988 297.8512 -59.3557 -23.8705 557240.4822 -2.9323 -2.9672 PRESSURE: 4270600 -177.109 -10.2718 47.8827 -10.2713 75.9872 -71.5125 47.8824 -71.5118 -95.1299 GPRESSURE: 4270600 -116.377 15.725 -55.0016 -9.19789 97.5566 -102.69 80.9307 0.541405 -79.9183 PRESSAVG: 4270600 -54.8568 8.451 -4.19999 8.45106 37.9008 21.5375 -4.20001 21.5376 0.721928 GPRESSAVG: 4270600 -54.9872 9.74752 -5.22862 7.66744 37.5791 20.7441 -2.8879 21.7331 1.2214 TIMING: 4270600 CPU: 12364.3, 0.00289237/step Wall: 12364.3, 0.00289237/step, 0.586027 hours remaining, 211.250000 MB of memory in use. ENERGY: 4270600 687.3555 2123.8036 1948.8671 98.2557 -206302.3620 17564.7251 0.0000 0.0000 34023.9636 -149855.3913 297.1397 -183879.3549 -149760.2462 297.8202 -65.4173 -32.9130 557203.0345 -5.4113 -5.3955 PRESSURE: 4270800 -105.202 -98.3976 124.588 -98.3969 -253.55 -16.266 124.587 -16.266 53.6945 GPRESSURE: 4270800 -52.5485 -17.0644 203.337 -136.082 -227.103 -98.1689 104.732 35.9929 80.8602 PRESSAVG: 4270800 9.94121 17.3712 58.8872 17.3712 29.5278 62.4657 58.8872 62.4657 19.9488 GPRESSAVG: 4270800 10.9443 16.8329 60.0563 17.3773 29.3599 62.1342 57.477 62.5165 19.0738 TIMING: 4270800 CPU: 12364.9, 0.00287286/step Wall: 12364.9, 0.00287286/step, 0.581914 hours remaining, 211.250000 MB of memory in use. ENERGY: 4270800 762.5035 2063.2627 1940.0335 104.7993 -206706.2181 17996.9506 0.0000 0.0000 34195.0642 -149643.6041 298.6340 -183838.6684 -149538.2728 298.0154 -101.6856 -66.2639 556606.0975 19.8059 19.7927 PRESSURE: 4271000 18.2069 73.8799 69.3219 73.879 -152.524 -101.849 69.3215 -101.851 -239.406 GPRESSURE: 4271000 -21.9408 -11.2557 73.0139 156.075 -124.729 -74.1126 155.416 -65.1749 -132.411 PRESSAVG: 4271000 10.9374 -9.6695 -0.870085 -9.66961 -75.4401 69.2375 -0.87018 69.2376 72.9983 GPRESSAVG: 4271000 9.9701 -10.337 -1.08172 -9.8095 -75.5133 69.0688 -0.421391 70.6422 73.8402 TIMING: 4271000 CPU: 12365.5, 0.00287743/step Wall: 12365.5, 0.00287743/step, 0.582679 hours remaining, 211.250000 MB of memory in use. ENERGY: 4271000 750.3024 2083.1317 1932.4525 107.2476 -206031.2666 17502.2374 0.0000 0.0000 34111.1195 -149544.7755 297.9009 -183655.8949 -149438.6871 297.9142 -124.5745 -93.0269 557248.7758 2.8319 2.7656 PRESSURE: 4271200 -4.11878 5.32596 101.653 5.32566 -152.289 3.33801 101.654 3.33649 -153.499 GPRESSURE: 4271200 11.5681 -0.410425 135.656 14.5053 -146.962 -54.4804 62.4493 85.9474 -62.9546 PRESSAVG: 4271200 17.2719 -23.8887 36.4881 -23.8887 -19.6177 -31.9727 36.4881 -31.9727 -14.7974 GPRESSAVG: 4271200 16.2988 -24.9162 33.8273 -24.4758 -18.6426 -32.5564 37.6408 -35.5194 -15.1591 TIMING: 4271200 CPU: 12366.1, 0.00288239/step Wall: 12366.1, 0.00288239/step, 0.583524 hours remaining, 211.250000 MB of memory in use. ENERGY: 4271200 715.6687 2138.5057 1932.6120 121.1471 -206033.1856 17527.5374 0.0000 0.0000 34102.9997 -149494.7150 297.8300 -183597.7147 -149391.3562 298.5206 -103.3022 -66.1160 557266.7626 -5.7144 -5.8343 PRESSURE: 4271400 -102.374 20.7126 78.749 20.7117 94.8786 -29.5436 78.748 -29.5436 -51.3533 GPRESSURE: 4271400 -87.0421 37.8674 85.1192 8.41558 149.811 -28.1074 61.8766 -44.5259 -16.4757 PRESSAVG: 4271400 49.8604 -6.18046 48.9577 -6.18049 -30.6105 21.4998 48.9578 21.4998 15.4695 GPRESSAVG: 4271400 50.9541 -3.68251 50.2339 -4.20791 -31.1951 24.6978 48.8019 20.9856 14.7485 TIMING: 4271400 CPU: 12366.7, 0.00289083/step Wall: 12366.7, 0.00289083/step, 0.585071 hours remaining, 211.250000 MB of memory in use. ENERGY: 4271400 749.9783 2082.9636 1916.2257 119.2820 -206307.2763 17905.3611 0.0000 0.0000 34293.9346 -149239.5310 299.4975 -183533.4656 -149141.0386 299.0323 -19.6162 15.4310 556734.0371 11.5731 11.5025 PRESSURE: 4271600 -161.324 136.23 -6.58878 136.23 6.02483 38.2241 -6.58733 38.2242 -81.6639 GPRESSURE: 4271600 -95.6321 185.753 62.1221 39.8558 10.7381 -55.6825 -85.7424 92.7346 -59.6661 PRESSAVG: 4271600 -51.9725 27.4607 35.7671 27.4607 27.8094 28.691 35.7669 28.6911 24.8527 GPRESSAVG: 4271600 -52.0187 26.7539 37.5676 27.5111 26.7776 26.4653 35.6308 30.4373 26.3006 TIMING: 4271600 CPU: 12367.2, 0.00289991/step Wall: 12367.2, 0.00289991/step, 0.586749 hours remaining, 211.250000 MB of memory in use. ENERGY: 4271600 757.2680 2113.0269 1946.3312 115.5097 -205932.5248 17607.4469 0.0000 0.0000 34162.4976 -149230.4446 298.3496 -183392.9421 -149132.9135 299.2155 -78.9877 -48.1867 557594.7458 0.2299 0.3532 PRESSURE: 4271800 -163.379 -145.661 -57.2735 -145.66 -36.6054 235.561 -57.2724 235.56 76.1651 GPRESSURE: 4271800 -92.4884 -136.013 -36.1106 -66.8252 -21.571 301.61 -94.4267 206.119 88.5196 PRESSAVG: 4271800 -23.2537 -2.81465 -12.41 -2.81461 23.4209 40.1854 -12.41 40.1854 16.9254 GPRESSAVG: 4271800 -21.5621 -2.58392 -12.1713 -4.83594 23.7854 41.2223 -12.5759 40.7253 15.0174 TIMING: 4271800 CPU: 12367.8, 0.00290278/step Wall: 12367.8, 0.00290278/step, 0.587168 hours remaining, 211.250000 MB of memory in use. ENERGY: 4271800 758.1329 2065.0754 1917.6016 114.8647 -206123.3075 17730.6845 0.0000 0.0000 34332.7141 -149204.2342 299.8361 -183536.9483 -149107.9587 299.7828 -41.2731 -8.5132 557088.3128 5.6975 5.7469 PRESSURE: 4272000 53.7359 -42.337 58.3894 -42.3371 63.0001 2.59269 58.3903 2.59352 -220.819 GPRESSURE: 4272000 67.8835 -45.9787 110.996 -22.4392 110.996 -25.4712 44.6354 36.06 -188.016 PRESSAVG: 4272000 -30.0622 -35.6893 -35.8575 -35.6894 26.724 14.9587 -35.8576 14.9586 29.6676 GPRESSAVG: 4272000 -30.9052 -35.2137 -37.1862 -35.0211 26.0108 13.6853 -36.9774 13.1515 30.5824 TIMING: 4272000 CPU: 12368.4, 0.00287727/step Wall: 12368.4, 0.00287727/step, 0.581849 hours remaining, 211.250000 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: 4272000 736.5715 2100.4070 1931.6799 110.2175 -206012.3283 17721.2291 0.0000 0.0000 34201.3276 -149210.8957 298.6887 -183412.2233 -149116.5075 299.1105 -34.6944 -3.0453 558189.4805 8.7765 8.5627 PRESSURE: 4272200 -138.787 -21.7441 -37.8398 -21.7443 53.2792 56.0753 -37.84 56.075 -136.484 GPRESSURE: 4272200 -88.778 -30.9078 -4.2932 -1.761 122.757 28.8529 -34.8606 131.369 -162.736 PRESSAVG: 4272200 -25.7753 15.3073 20.7967 15.3074 30.8993 -8.92664 20.7966 -8.92674 29.3315 GPRESSAVG: 4272200 -26.0777 14.7805 20.1319 15.5778 31.7965 -7.61696 22.6787 -8.93096 29.2368 TIMING: 4272200 CPU: 12369, 0.00287912/step Wall: 12369, 0.00287912/step, 0.582063 hours remaining, 211.250000 MB of memory in use. ENERGY: 4272200 739.8250 2082.1820 1965.7120 108.6054 -205840.1588 17641.9333 0.0000 0.0000 33914.4770 -149387.4240 296.1836 -183301.9011 -149287.7956 298.2859 -73.9971 -42.9190 558609.8450 11.4852 11.6519 LDB: ============= START OF LOAD BALANCING ============== 12372.3 LDB: ============== END OF LOAD BALANCING =============== 12372.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12372.4 LDB: ============= START OF LOAD BALANCING ============== 12372.6 LDB: Largest compute 4773 load 0.026517 is 22.5% of average load 0.118042 LDB: Average compute 0.001728 is 1.5% of average load 0.118042 LDB: TIME 12372.6 LOAD: AVG 0.118042 MAX 0.179665 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.727 MB LDB: TIME 12372.6 LOAD: AVG 0.118042 MAX 0.179665 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.926 MB LDB: TIME 12372.6 LOAD: AVG 0.118042 MAX 0.179665 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.926 MB LDB: ============== END OF LOAD BALANCING =============== 12372.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12372.7 PRESSURE: 4272400 -96.2327 -146.923 22.5377 -146.924 -270.461 31.2338 22.5389 31.2346 81.8349 GPRESSURE: 4272400 -65.3729 -156.109 -10.4558 -162.539 -235.071 65.5179 18.6516 118.779 125.174 PRESSAVG: 4272400 67.7398 -49.5463 -24.0245 -49.5464 25.2481 46.9512 -24.0244 46.9512 -44.6435 GPRESSAVG: 4272400 66.5502 -49.2068 -23.0836 -51.1304 26.0553 43.8854 -24.4172 50.1969 -44.3475 TIMING: 4272400 CPU: 12369.6, 0.00294603/step Wall: 12369.6, 0.00294603/step, 0.595424 hours remaining, 211.949219 MB of memory in use. ENERGY: 4272400 744.9753 2096.1331 1947.6115 115.6358 -206026.1045 17727.4249 0.0000 0.0000 34234.5157 -149159.8082 298.9785 -183394.3239 -149062.8410 298.4920 -94.9528 -58.4234 557747.5135 16.1148 16.0860 PRESSURE: 4272600 -73.3276 140.613 -43.5404 140.613 -39.2269 -9.86058 -43.5402 -9.86126 -31.6907 GPRESSURE: 4272600 -70.6585 196.216 -9.26152 43.3513 15.3687 -3.79528 -74.8191 -8.30272 15.7906 PRESSAVG: 4272600 7.81308 -64.6991 -56.462 -64.6991 -3.56138 4.53891 -56.462 4.53892 -7.48354 GPRESSAVG: 4272600 9.16173 -64.0652 -55.093 -63.6876 -4.54135 8.41737 -58.61 0.778761 -7.70423 TIMING: 4272600 CPU: 12370.1, 0.00289848/step Wall: 12370.1, 0.00289848/step, 0.585654 hours remaining, 212.148438 MB of memory in use. ENERGY: 4272600 696.8899 2128.3194 1948.3169 116.3579 -205910.0503 17682.2779 0.0000 0.0000 34118.6152 -149219.2729 297.9664 -183337.8882 -149120.4689 299.0825 -48.0817 -13.1664 558324.7852 -1.0773 -1.0279 PRESSURE: 4272800 82.4616 25.7707 209.643 25.7699 3.24012 -119.674 209.643 -119.674 349.483 GPRESSURE: 4272800 154.006 101.351 247.144 -59.2518 49.6603 5.57214 181.331 -213.502 341.151 PRESSAVG: 4272800 -14.2088 58.5071 -31.4381 58.5073 19.0051 -55.3548 -31.4382 -55.3548 -24.6145 GPRESSAVG: 4272800 -12.6715 57.8546 -29.9582 58.5403 19.3101 -56.3399 -32.636 -54.8108 -26.1583 TIMING: 4272800 CPU: 12370.7, 0.00290419/step Wall: 12370.7, 0.00290419/step, 0.586646 hours remaining, 212.148438 MB of memory in use. ENERGY: 4272800 743.3985 2100.0130 1938.1471 126.1862 -206357.1367 17978.6977 0.0000 0.0000 34241.8384 -149228.8558 299.0425 -183470.6942 -149130.4089 299.0407 145.0616 181.6058 555611.1417 -6.6061 -6.5066 PRESSURE: 4273000 26.6306 23.738 102.296 23.7394 140.145 69.1011 102.296 69.1013 6.80319 GPRESSURE: 4273000 53.3734 101.841 140.44 -127.335 171.81 21.5186 87.1995 73.4248 64.99 PRESSAVG: 4273000 6.50558 57.8382 56.4814 57.8383 1.37413 1.3549 56.4814 1.35497 -7.555 GPRESSAVG: 4273000 4.79763 57.0656 55.653 58.4461 1.82907 -0.34806 59.3042 3.02044 -6.13325 TIMING: 4273000 CPU: 12371.3, 0.00288664/step Wall: 12371.3, 0.00288664/step, 0.582942 hours remaining, 212.148438 MB of memory in use. ENERGY: 4273000 748.3703 2145.8881 1947.2620 112.1820 -206061.8889 17831.6403 0.0000 0.0000 34096.8205 -149179.7256 297.7760 -183276.5461 -149084.8448 299.9403 57.8597 96.7244 556367.2683 0.1082 0.1645 PRESSURE: 4273200 -256.906 -31.6604 100.151 -31.6595 -209.658 178.318 100.15 178.318 40.1782 GPRESSURE: 4273200 -223.428 -60.8064 165.681 -70.9847 -150.848 99.3521 90.6866 200.242 43.8873 PRESSAVG: 4273200 -2.24943 -24.8277 56.5434 -24.8276 39.5573 42.8963 56.5436 42.8964 -38.4739 GPRESSAVG: 4273200 -2.1472 -23.0034 53.1275 -26.4511 39.186 43.8426 57.8215 42.3991 -38.0446 TIMING: 4273200 CPU: 12371.9, 0.00286409/step Wall: 12371.9, 0.00286409/step, 0.578229 hours remaining, 212.148438 MB of memory in use. ENERGY: 4273200 747.7031 2099.3230 1962.0195 113.0250 -206153.9190 17550.9978 0.0000 0.0000 34572.7714 -149108.0792 301.9326 -183680.8507 -149012.3320 299.4075 -142.1287 -110.1297 556928.7474 -0.3887 -0.3353 PRESSURE: 4273400 62.437 9.45244 5.07626 9.45147 -75.4247 149.981 5.07575 149.981 -7.63118 GPRESSURE: 4273400 94.9963 -55.0192 49.9163 -7.07042 -26.338 144.482 -38.0472 145.398 9.37237 PRESSAVG: 4273400 66.456 -52.1191 3.60302 -52.1192 5.20172 19.0987 3.60306 19.0987 -45.7705 GPRESSAVG: 4273400 66.9939 -54.1961 6.47326 -51.7872 4.50871 19.8216 1.67134 17.7834 -46.4007 TIMING: 4273400 CPU: 12372.4, 0.00288296/step Wall: 12372.4, 0.00288296/step, 0.581878 hours remaining, 212.148438 MB of memory in use. ENERGY: 4273400 724.8288 2119.8228 1940.0769 124.2643 -205958.0098 17614.9657 0.0000 0.0000 34320.5645 -149113.4870 299.7300 -183434.0514 -149013.2504 299.2494 -6.8729 26.0102 557237.4190 8.6291 8.3673 PRESSURE: 4273600 186.897 21.0309 -52.1092 21.0303 -15.6462 -88.2684 -52.1092 -88.2676 -154.702 GPRESSURE: 4273600 184.135 58.1177 -81.2095 24.9704 17.2266 -120.258 23.578 -87.3046 -96.4547 PRESSAVG: 4273600 34.9188 26.8219 -10.3376 26.8219 57.5304 -0.175775 -10.3375 -0.175637 -33.0341 GPRESSAVG: 4273600 34.6714 27.1115 -9.58022 28.1898 57.0815 1.34997 -12.5823 -0.204302 -32.5251 TIMING: 4273600 CPU: 12373, 0.00288241/step Wall: 12373, 0.00288241/step, 0.581607 hours remaining, 212.148438 MB of memory in use. ENERGY: 4273600 719.5228 2158.0813 1948.6734 120.0397 -206138.5556 17751.5634 0.0000 0.0000 34351.5324 -149089.1426 300.0005 -183440.6750 -148997.1817 299.2752 5.5162 34.9689 556913.0871 19.8050 19.7426 PRESSURE: 4273800 -236.713 129.598 -199.842 129.597 39.6492 -24.9591 -199.841 -24.9606 -227.026 GPRESSURE: 4273800 -226.965 29.0847 -214.029 213.75 64.3769 -18.1017 -142.142 42.6693 -166.976 PRESSAVG: 4273800 -10.8752 33.0927 -44.0416 33.0928 40.5052 4.02796 -44.0416 4.0279 -14.3022 GPRESSAVG: 4273800 -11.4656 32.5613 -46.9718 31.956 41.1504 2.49596 -41.1196 3.30098 -14.5497 TIMING: 4273800 CPU: 12373.6, 0.00284834/step Wall: 12373.6, 0.00284834/step, 0.574574 hours remaining, 212.148438 MB of memory in use. ENERGY: 4273800 763.7038 2176.3803 1947.9884 118.1813 -206101.8473 17774.7382 0.0000 0.0000 34291.1748 -149029.6805 299.4734 -183320.8553 -148938.5673 299.9895 -141.3630 -109.8548 559062.2801 5.1093 5.0450 PRESSURE: 4274000 -86.925 17.12 24.0396 17.1214 -223.911 -42.7779 24.0391 -42.7787 206.1 GPRESSURE: 4274000 -53.7181 -6.92138 -79.3011 7.94269 -125.967 5.9434 53.4084 -127.121 167.433 PRESSAVG: 4274000 30.9208 35.0854 23.0293 35.0854 5.71976 67.7042 23.0292 67.7043 -18.5215 GPRESSAVG: 4274000 30.0793 34.019 24.5825 37.7422 6.36732 67.13 21.7834 68.7049 -18.3661 TIMING: 4274000 CPU: 12374.2, 0.00286484/step Wall: 12374.2, 0.00286484/step, 0.577742 hours remaining, 212.148438 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: 4274000 814.9106 2127.8232 1950.1842 116.4114 -206159.1499 17781.0018 0.0000 0.0000 34227.5197 -149141.2990 298.9174 -183368.8187 -149045.3245 299.4044 -34.9120 -4.0843 557513.0471 6.0397 6.0269 PRESSURE: 4274200 296.419 -121.633 50.4075 -121.634 -100.949 21.7697 50.4074 21.7704 150.425 GPRESSURE: 4274200 330.844 -233.258 -13.5952 10.38 -95.7676 -10.8748 125.232 85.2771 213.389 PRESSAVG: 4274200 14.7659 11.3537 21.9054 11.3537 -18.5858 38.6871 21.9054 38.6871 -35.563 GPRESSAVG: 4274200 14.5479 14.1839 22.7329 8.02296 -17.478 39.8917 22.8347 39.8379 -36.7028 TIMING: 4274200 CPU: 12374.7, 0.00285813/step Wall: 12374.7, 0.00285813/step, 0.576231 hours remaining, 212.148438 MB of memory in use. ENERGY: 4274200 741.6813 2099.8163 1947.3697 109.8310 -206152.1338 17826.1589 0.0000 0.0000 34381.2794 -149045.9972 300.2603 -183427.2766 -148944.2705 299.6062 115.2984 149.4885 555798.7543 -13.1276 -13.2110 PRESSURE: 4274400 159.706 -116.308 -34.6448 -116.308 -8.6906 200.334 -34.6444 200.334 -69.1771 GPRESSURE: 4274400 157.068 -83.0616 -37.0479 -119.667 15.2404 180.049 -68.4852 207.726 13.0822 PRESSAVG: 4274400 95.532 -9.38808 -31.3142 -9.38811 -36.5218 52.2628 -31.3141 52.2629 -32.4344 GPRESSAVG: 4274400 96.0617 -11.2193 -30.7874 -8.33516 -37.6161 51.2506 -32.2642 51.3151 -31.3984 TIMING: 4274400 CPU: 12375.3, 0.00287809/step Wall: 12375.3, 0.00287809/step, 0.580094 hours remaining, 212.148438 MB of memory in use. ENERGY: 4274400 717.5642 2164.7535 1975.0800 106.8552 -205849.5398 17705.5319 0.0000 0.0000 34257.8655 -148921.8895 299.1825 -183179.7550 -148827.3524 300.9150 27.2793 61.7967 557326.4812 8.8586 9.0157 PRESSURE: 4274600 -317.613 -74.9731 -143.25 -74.9736 -368.924 -40.9133 -143.25 -40.9122 97.4599 GPRESSURE: 4274600 -288.037 26.5469 -151.091 -106.46 -335.562 -89.0201 -89.8003 30.37 128.905 PRESSAVG: 4274600 -44.6745 -10.2277 -27.7177 -10.2277 -21.0511 31.3495 -27.7177 31.3494 54.622 GPRESSAVG: 4274600 -43.9706 -10.5297 -30.4654 -7.8367 -20.9907 31.6247 -27.1227 31.2221 53.4301 TIMING: 4274600 CPU: 12375.9, 0.00287556/step Wall: 12375.9, 0.00287556/step, 0.579426 hours remaining, 212.148438 MB of memory in use. ENERGY: 4274600 749.2471 2080.8496 1970.4150 109.0901 -205668.7970 17613.9335 0.0000 0.0000 34188.2574 -148957.0044 298.5746 -183145.2618 -148865.1396 300.0459 -196.3592 -164.8982 560227.7262 -3.7012 -3.8437 PRESSURE: 4274800 -173.785 218.057 -53.61 218.057 98.615 -26.5786 -53.611 -26.5771 -98.8323 GPRESSURE: 4274800 -141.671 127.311 -126.361 229.687 94.714 -85.2442 8.82572 8.22731 -23.5053 PRESSAVG: 4274800 -58.1125 24.8605 -72.5147 24.8606 -4.10205 3.5256 -72.5147 3.52566 7.10268 GPRESSAVG: 4274800 -59.1805 26.2088 -71.1017 22.608 -4.37942 3.4793 -74.6232 3.48634 8.06983 TIMING: 4274800 CPU: 12376.5, 0.00286672/step Wall: 12376.5, 0.00286672/step, 0.577484 hours remaining, 212.148438 MB of memory in use. ENERGY: 4274800 751.3301 2081.1237 1961.2675 119.0556 -205913.8098 17803.2821 0.0000 0.0000 34030.1199 -149167.6309 297.1935 -183197.7508 -149071.7046 298.6750 -58.0007 -23.4875 558886.1821 -18.3706 -18.4967 PRESSURE: 4275000 54.9557 205.334 -119.94 205.334 63.1648 14.4947 -119.94 14.496 -167.514 GPRESSURE: 4275000 29.6747 127.46 -66.5798 293.931 148.6 -12.1845 -136.785 75.6328 -147.476 PRESSAVG: 4275000 -37.1553 43.4976 -5.38295 43.4975 133.496 7.58668 -5.38299 7.5867 -73.5942 GPRESSAVG: 4275000 -35.9776 43.3423 -3.76979 43.9903 134.063 8.6261 -4.52371 8.97035 -74.9967 TIMING: 4275000 CPU: 12377, 0.00285908/step Wall: 12377, 0.00285908/step, 0.575787 hours remaining, 212.148438 MB of memory in use. ENERGY: 4275000 731.3060 2109.7753 1945.3328 117.6840 -206440.0910 17835.0280 0.0000 0.0000 34411.3091 -149289.6557 300.5225 -183700.9648 -149192.6537 298.6419 -16.4646 10.2662 558679.5824 7.5822 7.6961 PRESSURE: 4275200 -53.2049 -28.1757 -11.9897 -28.1762 -6.75758 -52.8518 -11.9888 -52.8539 -56.1879 GPRESSURE: 4275200 42.859 40.4092 -21.3512 -18.5658 7.14594 -70.8647 -93.8791 -7.5078 -60.6072 PRESSAVG: 4275200 -37.1284 33.3352 -50.5451 33.3352 74.755 -5.1922 -50.5451 -5.19228 4.72312 GPRESSAVG: 4275200 -36.2657 32.9158 -52.9697 32.0983 74.4101 -5.25625 -48.6426 -8.20857 4.7236 TIMING: 4275200 CPU: 12377.6, 0.00285286/step Wall: 12377.6, 0.00285286/step, 0.574377 hours remaining, 212.148438 MB of memory in use. ENERGY: 4275200 740.3739 2054.4270 1969.9707 120.7389 -206233.5558 17869.7681 0.0000 0.0000 34195.1335 -149283.1437 298.6346 -183478.2772 -149193.7785 298.9957 -38.7168 -3.5341 558373.3270 14.1165 14.2893 PRESSURE: 4275400 29.7928 -81.4143 -127.093 -81.4148 -60.7987 -77.6973 -127.092 -77.6959 -210.167 GPRESSURE: 4275400 57.8887 -26.3319 -147.786 -71.4922 -34.9669 36.2002 -91.5191 -101.533 -166.397 PRESSAVG: 4275400 0.0198742 22.5166 38.5266 22.5166 24.6532 -29.8204 38.5267 -29.8203 -38.0265 GPRESSAVG: 4275400 -1.8773 21.0023 41.283 24.0955 24.9393 -30.913 38.2762 -27.0343 -37.0722 TIMING: 4275400 CPU: 12378.2, 0.00286321/step Wall: 12378.2, 0.00286321/step, 0.5763 hours remaining, 212.148438 MB of memory in use. ENERGY: 4275400 725.7187 2135.5283 1940.2068 119.5164 -205888.0058 17686.4901 0.0000 0.0000 34056.4049 -149224.1405 297.4231 -183280.5455 -149131.9124 298.3229 -80.3909 -47.8249 557662.2162 -4.4511 -4.6701 PRESSURE: 4275600 41.2146 -161.97 168.297 -161.969 -63.4781 -133.091 168.297 -133.093 -119.521 GPRESSURE: 4275600 82.9746 -109.315 192.276 -175.878 -3.91734 -107.744 151.127 -104.516 -127.085 PRESSAVG: 4275600 -23.4549 11.679 14.0393 11.679 123.472 -25.6668 14.0393 -25.6667 -75.9887 GPRESSAVG: 4275600 -22.7031 12.5663 12.5809 11.964 123.596 -25.9429 13.5249 -27.9895 -76.5669 TIMING: 4275600 CPU: 12378.7, 0.00286125/step Wall: 12378.7, 0.00286125/step, 0.575747 hours remaining, 212.148438 MB of memory in use. ENERGY: 4275600 746.0026 2107.5940 1943.5924 107.9254 -206316.1390 17721.2959 0.0000 0.0000 34508.0237 -149181.7051 301.3672 -183689.7288 -149092.2582 298.6723 -47.2614 -16.0091 556398.7022 8.0095 8.1086 PRESSURE: 4275800 -45.5129 2.01866 138.829 2.01838 116.141 106.313 138.829 106.313 74.6698 GPRESSURE: 4275800 19.1032 -95.2402 82.6831 79.8092 145.979 146.863 89.1042 55.5638 96.1419 PRESSAVG: 4275800 3.50405 -32.9207 -18.5051 -32.9207 29.6435 -28.6988 -18.505 -28.6987 -21.8415 GPRESSAVG: 4275800 4.41328 -32.7554 -16.9417 -35.1624 28.5346 -28.0142 -19.1473 -28.5727 -21.4957 TIMING: 4275800 CPU: 12379.3, 0.00288305/step Wall: 12379.3, 0.00288305/step, 0.579974 hours remaining, 212.148438 MB of memory in use. ENERGY: 4275800 723.6655 2090.5847 1953.8204 116.8947 -206042.7887 17747.9038 0.0000 0.0000 34129.3172 -149280.6025 298.0598 -183409.9197 -149186.8944 299.3149 48.4327 87.0746 556492.4165 3.7687 3.8174 PRESSURE: 4276000 -215.62 -70.7338 -44.6823 -70.7336 -110.948 -96.0442 -44.6826 -96.0452 -325.992 GPRESSURE: 4276000 -171.855 -61.6015 -88.8561 -102.513 -123.215 -46.2811 -49.2533 -56.1655 -256.13 PRESSAVG: 4276000 -35.4901 -18.7579 -88.2785 -18.7579 11.8662 -25.6813 -88.2785 -25.6814 16.2639 GPRESSAVG: 4276000 -35.0553 -19.4373 -88.5966 -19.0555 11.7523 -25.0077 -86.7923 -26.2257 16.4513 TIMING: 4276000 CPU: 12379.9, 0.00287096/step Wall: 12379.9, 0.00287096/step, 0.577383 hours remaining, 212.148438 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: 4276000 772.6577 2087.8072 1957.1216 109.6373 -205954.3115 17574.5694 0.0000 0.0000 34290.6533 -149161.8650 299.4688 -183452.5183 -149070.1568 299.5565 -217.5197 -183.7335 558317.6317 -2.4533 -2.2839 PRESSURE: 4276200 -88.5713 -140.565 161.284 -140.566 224.936 38.1876 161.283 38.1879 -34.6524 GPRESSURE: 4276200 -14.9363 19.5653 177.011 -153.106 200.308 57.1716 86.0663 71.9676 6.30835 PRESSAVG: 4276200 7.52785 -3.29822 -5.5492 -3.29815 -65.217 -51.6855 -5.5492 -51.6854 23.1883 GPRESSAVG: 4276200 7.23643 -2.55526 -5.73249 -1.46824 -64.4031 -53.9258 -6.08663 -50.08 22.9574 TIMING: 4276200 CPU: 12380.5, 0.00289284/step Wall: 12380.5, 0.00289284/step, 0.581621 hours remaining, 212.148438 MB of memory in use. ENERGY: 4276200 727.2886 2128.5531 1953.1379 113.7994 -206152.9354 17811.0877 0.0000 0.0000 34388.3426 -149030.7262 300.3219 -183419.0688 -148938.8598 299.8601 33.9042 63.8933 557407.4753 -11.5003 -11.4031 LDB: ============= START OF LOAD BALANCING ============== 12383.9 LDB: ============== END OF LOAD BALANCING =============== 12383.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12383.9 LDB: ============= START OF LOAD BALANCING ============== 12384.1 LDB: Largest compute 4773 load 0.026071 is 22.1% of average load 0.118077 LDB: Average compute 0.001731 is 1.5% of average load 0.118077 LDB: TIME 12384.2 LOAD: AVG 0.118077 MAX 0.178392 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.27 MB LDB: TIME 12384.2 LOAD: AVG 0.118077 MAX 0.178392 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.27 MB LDB: TIME 12384.2 LOAD: AVG 0.118077 MAX 0.178392 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12384.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12384.2 PRESSURE: 4276400 182.454 207.688 67.6673 207.688 -261.145 94.7296 67.6669 94.7281 -209.649 GPRESSURE: 4276400 188.015 142.627 20.8574 261.665 -216.595 2.48037 86.4094 194.486 -148.921 PRESSAVG: 4276400 46.142 4.53763 46.4556 4.53766 -72.7949 20.8225 46.4557 20.8225 10.9572 GPRESSAVG: 4276400 45.6714 4.59849 45.5565 1.83548 -71.725 22.0465 47.0468 19.4739 10.0042 TIMING: 4276400 CPU: 12381.1, 0.00294472/step Wall: 12381.1, 0.00294472/step, 0.591889 hours remaining, 211.183594 MB of memory in use. ENERGY: 4276400 712.1550 2067.4962 1928.6918 120.7026 -206305.5641 17834.0271 0.0000 0.0000 34347.2846 -149295.2068 299.9634 -183642.4914 -149195.1356 299.4044 -96.1134 -59.1672 559214.7103 -5.2319 -5.3498 PRESSURE: 4276600 -56.6846 -78.1637 57.9785 -78.1634 -167.501 -176.571 57.9776 -176.572 150.207 GPRESSURE: 4276600 -46.6788 -41.592 59.0563 -150.842 -139.208 -180.799 24.6732 -187.811 208.055 PRESSAVG: 4276600 -3.21842 4.24573 68.7445 4.24572 -69.5054 7.13814 68.7446 7.13827 113.99 GPRESSAVG: 4276600 -2.5356 4.77978 68.8375 3.6764 -69.5799 7.27905 68.0781 6.17874 113.989 TIMING: 4276600 CPU: 12381.6, 0.00288986/step Wall: 12381.6, 0.00288986/step, 0.580702 hours remaining, 211.386719 MB of memory in use. ENERGY: 4276600 757.8370 2088.7553 1939.3153 112.7830 -206207.0235 17794.4486 0.0000 0.0000 34328.4193 -149185.4650 299.7986 -183513.8843 -149092.5605 299.4902 -24.6597 7.3892 558314.6093 13.7555 13.9577 PRESSURE: 4276800 152.596 -197.771 30.4196 -197.771 33.3263 125.928 30.4193 125.929 -151.535 GPRESSURE: 4276800 218.173 -148.562 -19.4646 -220.205 44.9124 200.361 65.8644 125.201 -143.063 PRESSAVG: 4276800 -12.1448 -22.8112 27.2073 -22.8112 39.6069 -59.5592 27.2072 -59.5591 27.2714 GPRESSAVG: 4276800 -13.4661 -23.2261 25.3543 -20.6643 38.4115 -59.9837 28.5924 -58.4828 28.9922 TIMING: 4276800 CPU: 12382.2, 0.00289175/step Wall: 12382.2, 0.00289175/step, 0.580921 hours remaining, 211.386719 MB of memory in use. ENERGY: 4276800 787.6846 2099.9410 1952.1536 119.3298 -206601.1917 18112.6808 0.0000 0.0000 34253.1607 -149276.2414 299.1414 -183529.4020 -149179.7952 299.6212 11.4624 40.0074 557995.7188 18.2445 17.9792 PRESSURE: 4277000 -66.424 76.3313 -121.597 76.3318 36.7585 -88.3267 -121.597 -88.3248 1.58042 GPRESSURE: 4277000 -15.0094 43.3997 -75.0593 43.01 27.7078 -9.13043 -85.1291 -106.923 53.3438 PRESSAVG: 4277000 -17.5536 -12.5213 -39.9955 -12.5213 -21.0679 -38.3047 -39.9956 -38.3048 -6.12847 GPRESSAVG: 4277000 -16.4258 -13.913 -39.5278 -14.2401 -21.5613 -36.8328 -40.2413 -38.8233 -6.72112 TIMING: 4277000 CPU: 12382.8, 0.00290164/step Wall: 12382.8, 0.00290164/step, 0.582746 hours remaining, 211.386719 MB of memory in use. ENERGY: 4277000 764.0373 2084.3314 1942.7133 109.9827 -206404.0210 18023.2327 0.0000 0.0000 34340.2540 -149139.4698 299.9020 -183479.7237 -149045.6220 299.4090 -9.3617 22.0141 559482.9436 -14.9167 -14.9027 PRESSURE: 4277200 7.33845 -45.8457 -50.4477 -45.8465 -105.584 90.4738 -50.4483 90.4723 227.603 GPRESSURE: 4277200 53.6031 -61.381 76.8928 -46.5288 -62.1998 104.08 -76.9133 7.92293 229.734 PRESSAVG: 4277200 -16.1046 20.405 13.5564 20.405 7.87126 49.6755 13.5563 49.6755 25.4825 GPRESSAVG: 4277200 -15.8635 22.4245 14.0334 20.1238 8.96594 49.9355 11.2851 49.6342 23.9054 TIMING: 4277200 CPU: 12383.4, 0.00288657/step Wall: 12383.4, 0.00288657/step, 0.57956 hours remaining, 211.386719 MB of memory in use. ENERGY: 4277200 744.7686 2116.6052 1968.6361 110.8430 -206426.4641 17911.2003 0.0000 0.0000 34178.0408 -149396.3701 298.4853 -183574.4109 -149304.6709 299.0588 43.1192 73.7124 558199.2889 5.7497 5.6693 PRESSURE: 4277400 18.0552 63.3605 12.2591 63.3608 32.5491 -30.4224 12.2581 -30.4209 -201.748 GPRESSURE: 4277400 21.3611 -7.00076 5.14256 68.7244 81.35 -14.339 -83.2195 -42.1274 -167.525 PRESSAVG: 4277400 -14.464 -20.7305 27.4285 -20.7305 -27.4939 26.8033 27.4285 26.8034 22.7877 GPRESSAVG: 4277400 -14.8373 -22.3123 26.2604 -19.7489 -27.4492 28.599 28.7371 25.367 22.7351 TIMING: 4277400 CPU: 12384, 0.0028944/step Wall: 12384, 0.0028944/step, 0.58097 hours remaining, 211.386719 MB of memory in use. ENERGY: 4277400 767.2442 2158.4106 1948.3715 115.5091 -206391.4559 17873.9619 0.0000 0.0000 34143.2927 -149384.6659 298.1819 -183527.9586 -149289.1677 299.3869 -50.3812 -21.6048 558102.0281 -6.3901 -6.5171 PRESSURE: 4277600 -304.225 -100.839 82.9731 -100.838 -80.9452 61.8626 82.974 61.8636 35.8506 GPRESSURE: 4277600 -268.81 -134.636 -45.2357 14.7516 -24.9348 65.7017 180.988 72.9248 26.9789 PRESSAVG: 4277600 -67.1615 -8.48631 58.7849 -8.48626 58.6601 57.0341 58.7849 57.0342 12.762 GPRESSAVG: 4277600 -65.2562 -5.707 58.0292 -9.40272 58.4683 54.5235 59.4407 59.4162 11.1575 TIMING: 4277600 CPU: 12384.5, 0.00289295/step Wall: 12384.5, 0.00289295/step, 0.580519 hours remaining, 211.386719 MB of memory in use. ENERGY: 4277600 758.8690 2095.2024 1945.6672 123.6144 -206239.1841 17760.3617 0.0000 0.0000 34175.2026 -149380.2667 298.4605 -183555.4693 -149283.3634 299.2385 -116.4398 -88.9221 559326.9416 1.4202 1.4565 PRESSURE: 4277800 -282.299 -68.9882 -131.241 -68.9889 -29.1926 -127.776 -131.24 -127.775 88.1983 GPRESSURE: 4277800 -234.112 -111.799 -146.022 -24.5421 -32.7342 -181.423 -104.138 -77.0645 141.5 PRESSAVG: 4277800 -9.49527 12.7718 -2.67676 12.7718 -10.2438 -27.1421 -2.67661 -27.142 71.1984 GPRESSAVG: 4277800 -11.2191 8.61726 -0.116811 12.7716 -9.61236 -27.9092 -2.86601 -25.7972 72.7334 TIMING: 4277800 CPU: 12385.1, 0.00290531/step Wall: 12385.1, 0.00290531/step, 0.582838 hours remaining, 211.386719 MB of memory in use. ENERGY: 4277800 765.3742 2095.0108 1940.2391 117.3363 -206353.1454 17823.2550 0.0000 0.0000 34158.6533 -149453.2767 298.3160 -183611.9300 -149360.4499 298.7186 -74.4311 -41.7822 557494.4984 17.1531 17.3007 PRESSURE: 4278000 -150.153 -199.506 47.8469 -199.504 90.5461 10.465 47.8473 10.4653 -330.454 GPRESSURE: 4278000 -109.739 -217.892 14.8879 -186.563 75.1341 23.2354 79.5066 24.6392 -259.528 PRESSAVG: 4278000 -5.83451 -50.4888 1.18765 -50.4889 -6.82186 -6.26044 1.18761 -6.26031 -19.3682 GPRESSAVG: 4278000 -6.39882 -49.6714 -1.06625 -49.7885 -7.38243 -6.30139 -0.511041 -8.15292 -18.5565 TIMING: 4278000 CPU: 12385.7, 0.00287957/step Wall: 12385.7, 0.00287957/step, 0.577515 hours remaining, 211.386719 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: 4278000 746.5513 2109.7144 1928.4365 104.2227 -206055.1319 17605.3981 0.0000 0.0000 34083.2003 -149477.6084 297.6571 -183560.8088 -149381.2215 298.4478 -130.0204 -98.0442 558111.9261 -10.6748 -10.7792 PRESSURE: 4278200 -200.442 53.8822 -225.166 53.8825 164.899 30.6322 -225.167 30.6332 50.0094 GPRESSURE: 4278200 -79.7553 72.2689 -166.914 -18.1865 159.057 5.22036 -248.235 74.7783 26.3531 PRESSAVG: 4278200 -37.0176 27.9865 -8.92108 27.9865 -26.6673 40.2674 -8.92124 40.2673 42.8692 GPRESSAVG: 4278200 -35.8055 27.7027 -8.49325 27.7642 -27.0226 41.0631 -8.09126 38.6793 42.3843 TIMING: 4278200 CPU: 12386.3, 0.00286244/step Wall: 12386.3, 0.00286244/step, 0.573919 hours remaining, 211.386719 MB of memory in use. ENERGY: 4278200 761.6096 2106.5271 1951.6612 101.2665 -206711.4521 18065.5773 0.0000 0.0000 34329.0186 -149395.7918 299.8039 -183724.8104 -149298.4285 298.7639 4.8221 35.2183 557493.2724 -6.9386 -6.8146 PRESSURE: 4278400 2.88858 23.7118 -12.1674 23.71 -236.567 103.445 -12.1671 103.445 155.517 GPRESSURE: 4278400 75.8539 87.8388 -72.467 -42.0457 -219.778 130.44 46.7172 113.873 157.977 PRESSAVG: 4278400 -33.4807 17.6597 -38.972 17.6597 8.8549 20.9212 -38.9719 20.9211 64.9544 GPRESSAVG: 4278400 -34.1683 18.3922 -38.5187 18.5495 8.09005 20.7002 -38.139 20.7426 66.553 TIMING: 4278400 CPU: 12386.8, 0.00287808/step Wall: 12386.8, 0.00287808/step, 0.576896 hours remaining, 211.386719 MB of memory in use. ENERGY: 4278400 759.8203 2038.0221 1943.3982 112.5491 -206146.7523 17881.2945 0.0000 0.0000 34001.7611 -149409.9070 296.9458 -183411.6681 -149310.6514 298.7942 -26.0537 4.6844 559284.3177 13.4429 13.4916 PRESSURE: 4278600 -224.61 50.9932 114.25 50.9933 76.7574 188.824 114.25 188.825 38.604 GPRESSURE: 4278600 -223.552 28.3969 100.816 26.8638 71.4769 271.625 161.717 150.802 122.593 PRESSAVG: 4278600 -45.0458 12.5928 19.3257 12.5928 -1.77814 -7.64551 19.3257 -7.64555 29.8224 GPRESSAVG: 4278600 -45.3847 12.4826 17.0581 13.1961 -0.134665 -9.06503 19.9976 -6.32327 28.3933 TIMING: 4278600 CPU: 12387.4, 0.00287886/step Wall: 12387.4, 0.00287886/step, 0.576892 hours remaining, 211.386719 MB of memory in use. ENERGY: 4278600 747.9575 2091.1815 1949.3848 127.7601 -206428.8946 17791.6873 0.0000 0.0000 34281.2492 -149439.6742 299.3867 -183720.9234 -149341.6041 298.3754 -36.4163 -9.8273 557225.6657 -5.6672 -5.7087 PRESSURE: 4278800 -153.476 -122.347 -141.4 -122.346 64.3724 -74.6423 -141.4 -74.6427 162.378 GPRESSURE: 4278800 -136.699 -56.2518 -164.085 -100.085 81.1891 -119.059 -74.5693 -74.7223 234.584 PRESSAVG: 4278800 -38.2295 5.62174 22.429 5.62168 27.7588 20.1708 22.4289 20.1707 24.6122 GPRESSAVG: 4278800 -37.8706 4.40899 23.2239 3.93135 27.4974 21.9349 21.1992 20.266 24.8572 TIMING: 4278800 CPU: 12388, 0.00286791/step Wall: 12388, 0.00286791/step, 0.574537 hours remaining, 211.386719 MB of memory in use. ENERGY: 4278800 759.0048 2110.6530 1965.9329 105.2967 -206738.6187 17958.7985 0.0000 0.0000 34358.1849 -149480.7480 300.0586 -183838.9329 -149385.4992 299.0004 24.4249 59.6913 557444.2386 4.7138 4.8280 PRESSURE: 4279000 81.5026 -6.00613 145.096 -6.0074 18.1936 104.636 145.097 104.636 195.733 GPRESSURE: 4279000 110.215 32.8891 93.7181 -109.223 98.6664 95.9323 134.345 162.399 189.391 PRESSAVG: 4279000 -29.3803 32.8957 25.4203 32.8957 -31.4389 -17.859 25.4204 -17.859 87.9401 GPRESSAVG: 4279000 -29.5433 33.9486 27.0252 33.8104 -32.1645 -18.4595 26.7521 -17.8845 88.6749 TIMING: 4279000 CPU: 12388.6, 0.0028881/step Wall: 12388.6, 0.0028881/step, 0.578423 hours remaining, 211.386719 MB of memory in use. ENERGY: 4279000 745.2326 2067.4646 1932.8586 111.0058 -206649.0839 18030.0392 0.0000 0.0000 34388.8447 -149373.6383 300.3263 -183762.4830 -149272.3296 299.0469 98.4766 132.7576 555950.9974 9.0403 8.9891 PRESSURE: 4279200 194.218 46.4287 -127.814 46.4286 -11.3314 171.421 -127.814 171.42 44.7082 GPRESSURE: 4279200 223.66 28.7617 -130.504 48.9344 25.4238 187.478 -122.735 174.907 70.8004 PRESSAVG: 4279200 -76.0579 -6.49324 -17.4206 -6.49323 30.8227 81.4581 -17.4206 81.458 51.6183 GPRESSAVG: 4279200 -76.0198 -6.75817 -17.3061 -7.35909 32.0925 81.3676 -18.1901 82.1535 51.0298 TIMING: 4279200 CPU: 12389.1, 0.00286889/step Wall: 12389.1, 0.00286889/step, 0.574415 hours remaining, 211.386719 MB of memory in use. ENERGY: 4279200 728.3239 2151.8148 1952.0063 117.0166 -206485.2824 17871.0945 0.0000 0.0000 34352.9564 -149312.0699 300.0129 -183665.0262 -149217.3149 298.8285 75.8651 106.6282 555844.2576 2.1277 2.3675 PRESSURE: 4279400 -74.2483 70.4598 -97.1453 70.4597 7.89693 165.499 -97.144 165.499 -146.059 GPRESSURE: 4279400 -15.3833 -21.0849 -80.9488 80.8437 76.1726 121.839 -79.1937 153.583 -169.155 PRESSAVG: 4279400 14.6263 40.3429 -37.2865 40.3429 6.97715 11.9554 -37.2865 11.9555 0.599295 GPRESSAVG: 4279400 15.3415 42.0498 -36.6814 38.8865 7.53318 13.1158 -38.508 9.91902 -0.955586 TIMING: 4279400 CPU: 12389.7, 0.00288231/step Wall: 12389.7, 0.00288231/step, 0.576942 hours remaining, 211.386719 MB of memory in use. ENERGY: 4279400 751.2751 2180.7519 1957.5314 105.3263 -206180.8935 17682.4869 0.0000 0.0000 34143.9604 -149359.5615 298.1877 -183503.5219 -149261.6844 299.2768 -70.8034 -36.1220 556213.1377 7.4009 7.3064 PRESSURE: 4279600 -229.231 -67.1706 10.015 -67.1717 3.8516 -27.6785 10.0141 -27.6797 -44.9766 GPRESSURE: 4279600 -212.973 -106.785 109.304 -95.3343 26.1119 -84.867 -59.4936 -46.6361 19.5288 PRESSAVG: 4279600 -21.0134 33.5373 -47.1398 33.5373 68.6006 -68.2142 -47.1398 -68.2142 -29.2156 GPRESSAVG: 4279600 -22.4756 34.0705 -48.9659 35.1383 67.409 -70.0651 -46.3309 -66.9915 -27.3579 TIMING: 4279600 CPU: 12390.3, 0.00288306/step Wall: 12390.3, 0.00288306/step, 0.576933 hours remaining, 211.386719 MB of memory in use. ENERGY: 4279600 708.5099 2085.8748 1940.9596 118.5420 -206144.2277 17710.6591 0.0000 0.0000 34078.6208 -149501.0616 297.6171 -183579.6824 -149403.8084 298.6362 -90.1188 -55.7773 557742.5067 6.1239 5.8585 PRESSURE: 4279800 -140.464 -10.4248 -133.129 -10.4243 214.852 121.719 -133.13 121.719 -97.5301 GPRESSURE: 4279800 -104.104 18.3646 -139.17 -49.0706 258.154 90.3831 -70.3644 26.7877 -91.7628 PRESSAVG: 4279800 13.1436 16.7515 35.5681 16.7515 -2.44389 -40.8789 35.5681 -40.8787 -27.2652 GPRESSAVG: 4279800 13.7659 15.0259 34.9023 19.0114 -3.08798 -40.3695 35.9233 -40.2093 -27.0468 TIMING: 4279800 CPU: 12390.9, 0.00288834/step Wall: 12390.9, 0.00288834/step, 0.577828 hours remaining, 211.386719 MB of memory in use. ENERGY: 4279800 763.7169 2132.0251 1960.9718 110.7898 -206494.9438 17954.4443 0.0000 0.0000 34194.7385 -149378.2574 298.6312 -183572.9959 -149276.5415 298.5873 -7.7141 20.7624 556109.0413 -5.5218 -5.4563 PRESSURE: 4280000 -142.584 8.52028 148.677 8.52105 11.6283 119.691 148.678 119.69 41.1938 GPRESSURE: 4280000 -60.2028 -37.9276 145.852 -56.5246 12.3798 138.447 123.082 106.09 56.8303 PRESSAVG: 4280000 12.205 10.9564 35.013 10.9564 23.761 -32.4773 35.0131 -32.4773 -21.9815 GPRESSAVG: 4280000 12.1008 12.0265 35.101 9.23908 24.4646 -31.7362 34.9867 -33.5404 -22.8124 TIMING: 4280000 CPU: 12391.4, 0.00288824/step Wall: 12391.4, 0.00288824/step, 0.577649 hours remaining, 211.386719 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: 4280000 731.0671 2074.8862 1928.4007 103.0363 -206601.3062 17933.1138 0.0000 0.0000 34385.8704 -149444.9316 300.3004 -183830.8021 -149352.3967 298.5393 -29.9205 3.0024 558327.9327 4.6615 4.5843 PRESSURE: 4280200 -81.0297 38.0273 -75.0727 38.0266 -145.599 -112.56 -75.0732 -112.561 28.8747 GPRESSURE: 4280200 -56.2618 52.5267 -54.7402 42.4003 -71.4008 -156.705 -47.0015 -51.0701 30.7731 PRESSAVG: 4280200 -26.486 39.2626 22.1677 39.2627 -0.2057 -16.1178 22.1678 -16.1178 40.1034 GPRESSAVG: 4280200 -26.5291 37.9967 22.2614 39.1484 0.601757 -14.2924 21.8213 -15.1804 40.086 TIMING: 4280200 CPU: 12392, 0.00287258/step Wall: 12392, 0.00287258/step, 0.574357 hours remaining, 211.386719 MB of memory in use. ENERGY: 4280200 746.3055 2095.6534 1964.2510 109.5341 -206554.7323 17808.9614 0.0000 0.0000 34106.1688 -149723.8581 297.8577 -183830.0269 -149627.4936 298.3090 -65.9181 -32.2965 556219.1863 4.4706 4.7196 LDB: ============= START OF LOAD BALANCING ============== 12395.4 LDB: ============== END OF LOAD BALANCING =============== 12395.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12395.4 LDB: ============= START OF LOAD BALANCING ============== 12395.7 LDB: Largest compute 4773 load 0.026362 is 22.3% of average load 0.118008 LDB: Average compute 0.001737 is 1.5% of average load 0.118008 LDB: TIME 12395.7 LOAD: AVG 0.118008 MAX 0.181498 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 12395.7 LOAD: AVG 0.118008 MAX 0.181498 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: TIME 12395.7 LOAD: AVG 0.118008 MAX 0.181498 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12395.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12395.7 PRESSURE: 4280400 33.9254 107.76 -80.454 107.759 -32.8167 -198.771 -80.455 -198.772 215.234 GPRESSURE: 4280400 75.9331 51.0102 -15.3237 62.4599 85.5763 -248.199 -97.4539 -214.04 155.032 PRESSAVG: 4280400 -50.1704 67.8803 16.3689 67.8802 -41.127 -27.3468 16.3689 -27.3468 95.7542 GPRESSAVG: 4280400 -51.2924 68.6041 17.2243 67.5859 -40.9727 -28.6023 15.419 -26.6661 96.9421 TIMING: 4280400 CPU: 12392.6, 0.00296574/step Wall: 12392.6, 0.00296574/step, 0.592818 hours remaining, 209.843750 MB of memory in use. ENERGY: 4280400 766.1580 2120.9829 1948.2901 126.4875 -206469.7418 17909.6592 0.0000 0.0000 34093.7344 -149504.4298 297.7491 -183598.1642 -149403.2678 297.0865 72.1142 105.5139 557156.0025 1.4856 1.5590 PRESSURE: 4280600 153.571 80.2468 -136.656 80.2468 143.27 -120.683 -136.656 -120.684 78.8082 GPRESSURE: 4280600 185.231 -3.16476 -116.361 221.859 159.175 -108.744 -148.515 -88.2998 129.651 PRESSAVG: 4280600 -70.7695 10.0273 -10.5208 10.0273 -6.7098 -49.6282 -10.5208 -49.6281 82.2327 GPRESSAVG: 4280600 -69.05 9.57422 -9.02547 10.6254 -7.1026 -49.7634 -11.1182 -51.5591 81.078 TIMING: 4280600 CPU: 12393.2, 0.0028841/step Wall: 12393.2, 0.0028841/step, 0.576339 hours remaining, 209.843750 MB of memory in use. ENERGY: 4280600 750.1089 2099.8963 1948.9934 105.4240 -206885.8421 18292.5395 0.0000 0.0000 34176.4697 -149512.4103 298.4716 -183688.8800 -149421.7907 298.1143 125.2162 158.0190 558340.6625 1.5845 1.6418 PRESSURE: 4280800 -424.594 121.52 104.361 121.519 -237.035 -141.97 104.359 -141.97 -163.332 GPRESSURE: 4280800 -363.588 105.345 87.0321 138.584 -220.058 -152.395 71.2469 -109.767 -147.114 PRESSAVG: 4280800 -31.7783 46.941 -4.48278 46.941 -3.54794 -17.9545 -4.48275 -17.9545 60.2411 GPRESSAVG: 4280800 -32.9814 47.072 -6.71846 46.6523 -2.99506 -18.4549 -3.24685 -17.4945 61.1164 TIMING: 4280800 CPU: 12393.8, 0.00288572/step Wall: 12393.8, 0.00288572/step, 0.576502 hours remaining, 209.843750 MB of memory in use. ENERGY: 4280800 768.0389 2092.2859 1931.2136 106.2922 -206044.7961 17554.8850 0.0000 0.0000 34088.7805 -149503.3001 297.7058 -183592.0806 -149414.1297 298.6338 -274.9870 -243.5865 558443.6379 8.3050 8.3800 PRESSURE: 4281000 -135.348 131.633 -133.476 131.632 -30.9399 -28.5952 -133.474 -28.5954 -118.691 GPRESSURE: 4281000 -107.919 38.3771 -178.062 76.2784 -29.2672 -44.24 -169.792 -41.6175 -37.6728 PRESSAVG: 4281000 -11.2042 35.8972 -36.3032 35.8972 1.90058 -33.7449 -36.3032 -33.7449 17.7721 GPRESSAVG: 4281000 -11.615 36.2308 -34.6894 33.9515 2.09634 -31.8955 -35.4315 -35.1977 17.5873 TIMING: 4281000 CPU: 12394.3, 0.00287854/step Wall: 12394.3, 0.00287854/step, 0.574908 hours remaining, 209.843750 MB of memory in use. ENERGY: 4281000 760.9169 2142.0059 1934.4755 111.3634 -206503.7192 17976.2533 0.0000 0.0000 33986.3615 -149592.3428 296.8113 -183578.7043 -149505.6342 298.1498 -94.9928 -58.2862 559028.7448 2.8229 2.6895 PRESSURE: 4281200 -217.684 -128.164 -137.473 -128.163 38.9013 -95.9396 -137.474 -95.9397 104.014 GPRESSURE: 4281200 -200.631 -141.905 -165.902 -60.1085 80.0565 -13.762 -65.7067 -155.588 142.95 PRESSAVG: 4281200 -51.6373 2.12467 -45.6804 2.12479 -9.11311 -68.6054 -45.6803 -68.6055 69.8019 GPRESSAVG: 4281200 -50.8789 1.18754 -45.1188 3.85494 -10.6147 -69.5707 -45.7706 -68.2825 70.3002 TIMING: 4281200 CPU: 12394.9, 0.00287632/step Wall: 12394.9, 0.00287632/step, 0.574306 hours remaining, 209.843750 MB of memory in use. ENERGY: 4281200 689.0938 2126.3118 1943.3364 115.7708 -206540.7885 17915.7800 0.0000 0.0000 34116.1374 -149634.3582 297.9447 -183750.4957 -149541.1142 298.1184 -24.9229 7.4585 558617.5953 3.0172 2.9355 PRESSURE: 4281400 -102.138 -50.6501 4.51413 -50.6502 -240.366 -132.251 4.51378 -132.253 -150.118 GPRESSURE: 4281400 -73.7302 9.92427 37.9556 -94.1561 -162.992 -51.491 -140.404 -122.379 -161.965 PRESSAVG: 4281400 14.5322 20.9467 -8.30814 20.9467 -59.9376 -70.5898 -8.30816 -70.5898 59.1922 GPRESSAVG: 4281400 14.2955 23.8617 -7.09214 19.2349 -59.2323 -71.2031 -10.867 -68.1284 58.149 TIMING: 4281400 CPU: 12395.5, 0.00286416/step Wall: 12395.5, 0.00286416/step, 0.571718 hours remaining, 209.843750 MB of memory in use. ENERGY: 4281400 751.8934 2098.7691 1912.1139 112.8617 -206292.7022 17675.7959 0.0000 0.0000 34221.3173 -149519.9509 298.8633 -183741.2682 -149422.0929 298.4519 -164.2072 -132.8959 558420.1317 4.5956 4.4041 PRESSURE: 4281600 8.30709 3.68035 -35.0898 3.68192 -255.27 -76.1254 -35.09 -76.1242 -17.5643 GPRESSURE: 4281600 22.1295 44.884 -40.4022 -51.9845 -236.719 -159.391 -51.3433 -40.5048 37.6433 PRESSAVG: 4281600 73.8291 54.7406 -14.1905 54.7407 -2.30028 -8.95538 -14.1904 -8.95537 -69.428 GPRESSAVG: 4281600 73.5045 50.924 -16.933 56.396 -3.35797 -9.37298 -12.936 -9.65814 -68.6294 TIMING: 4281600 CPU: 12396.1, 0.00287183/step Wall: 12396.1, 0.00287183/step, 0.57309 hours remaining, 209.843750 MB of memory in use. ENERGY: 4281600 744.4055 2101.1573 1932.8506 117.8986 -206208.3284 17634.0955 0.0000 0.0000 34244.3892 -149433.5316 299.0648 -183677.9208 -149333.2015 298.7172 -88.1757 -58.9821 556468.5681 0.7003 0.5057 PRESSURE: 4281800 -45.3397 -24.8799 -121.615 -24.8787 97.228 58.9972 -121.614 58.9972 -417.376 GPRESSURE: 4281800 -5.75559 -2.34178 -105.409 -89.8097 99.3341 31.0263 -81.8167 86.439 -360.62 PRESSAVG: 4281800 69.4458 7.69473 -5.83195 7.69477 3.12441 -22.9785 -5.83196 -22.9783 -44.2624 GPRESSAVG: 4281800 71.2387 8.3052 -4.46895 7.16331 2.14334 -22.9031 -6.38692 -22.6641 -45.0669 TIMING: 4281800 CPU: 12396.6, 0.00288906/step Wall: 12396.6, 0.00288906/step, 0.576367 hours remaining, 209.843750 MB of memory in use. ENERGY: 4281800 752.8560 2109.5896 1950.5982 110.7956 -206011.3032 17698.5869 0.0000 0.0000 34021.8724 -149367.0044 297.1215 -183388.8769 -149271.2603 299.1745 -121.8292 -89.0138 557947.4874 9.4359 9.4384 PRESSURE: 4282000 -147.887 -189.937 -35.3435 -189.939 -49.9838 93.4798 -35.345 93.4794 -307.733 GPRESSURE: 4282000 -75.8908 -236.671 -31.4428 -158.369 5.09758 142.02 -63.932 75.6943 -344.848 PRESSAVG: 4282000 -96.8934 -34.7625 51.7753 -34.7626 50.9921 55.6652 51.7753 55.6652 21.0944 GPRESSAVG: 4282000 -98.4253 -35.045 52.736 -34.5802 51.4032 55.8738 53.709 55.9748 22.0325 TIMING: 4282000 CPU: 12397.2, 0.00288535/step Wall: 12397.2, 0.00288535/step, 0.575468 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4282000 766.6639 2102.1073 1963.7531 116.1743 -206431.7168 17640.5128 0.0000 0.0000 34548.2359 -149294.2695 301.7183 -183842.5054 -149197.7043 299.6034 -168.5346 -138.5472 557391.6862 -8.2689 -8.3298 PRESSURE: 4282200 15.7669 86.46 63.7995 86.4598 -21.5575 38.2302 63.7986 38.2283 56.3987 GPRESSURE: 4282200 35.0255 38.7339 123.538 29.3716 50.3962 -73.9912 131.987 88.6511 64.0869 PRESSAVG: 4282200 9.0349 -3.13019 -34.8547 -3.13023 0.0928536 -12.0276 -34.8547 -12.0276 -6.52949 GPRESSAVG: 4282200 9.68611 -1.68079 -34.7847 -4.57227 0.636069 -14.381 -35.2471 -12.952 -7.57093 TIMING: 4282200 CPU: 12397.8, 0.00287863/step Wall: 12397.8, 0.00287863/step, 0.573967 hours remaining, 209.843750 MB of memory in use. ENERGY: 4282200 747.6548 2104.2286 1963.5507 109.0032 -206510.8684 17911.1643 0.0000 0.0000 34410.0260 -149265.2409 300.5113 -183675.2669 -149170.5292 299.2593 16.8693 49.8362 556446.2101 0.8661 0.9171 PRESSURE: 4282400 54.8351 -4.9034 31.4258 -4.9045 -7.78482 93.0782 31.4264 93.0802 -59.5721 GPRESSURE: 4282400 56.2615 15.0329 16.8564 -23.3294 14.5753 30.4213 1.51738 125.554 7.89639 PRESSAVG: 4282400 35.5706 -26.9034 -32.0861 -26.9033 -20.7137 6.82724 -32.0861 6.82731 -32.6039 GPRESSAVG: 4282400 34.3574 -28.2479 -31.2098 -25.9097 -21.799 8.16627 -35.3556 7.77732 -30.6262 TIMING: 4282400 CPU: 12398.4, 0.00288022/step Wall: 12398.4, 0.00288022/step, 0.574125 hours remaining, 209.843750 MB of memory in use. ENERGY: 4282400 741.3942 2120.7412 1948.8672 108.3919 -206287.9454 17643.9947 0.0000 0.0000 34393.2144 -149331.3417 300.3645 -183724.5561 -149244.6121 299.4905 -4.1740 26.2444 555851.3702 -5.9157 -6.0226 PRESSURE: 4282600 -171.358 70.057 125.53 70.058 -10.3143 -109.424 125.531 -109.425 -91.336 GPRESSURE: 4282600 -149.735 11.4165 101.965 40.3059 1.53367 -171.047 147.91 -150.252 -28.5617 PRESSAVG: 4282600 19.7066 -15.8817 -45.0883 -15.8816 53.1683 38.6064 -45.0883 38.6065 -36.7145 GPRESSAVG: 4282600 21.2586 -12.6184 -46.6547 -16.5062 54.306 40.481 -44.0978 35.6942 -39.7525 TIMING: 4282600 CPU: 12398.9, 0.00286051/step Wall: 12398.9, 0.00286051/step, 0.570037 hours remaining, 209.843750 MB of memory in use. ENERGY: 4282600 724.7962 2163.1927 1951.5657 129.2614 -206170.3887 17534.9158 0.0000 0.0000 34253.7236 -149412.9333 299.1463 -183666.6569 -149314.2361 299.5773 -91.0027 -58.9209 557075.9097 12.0535 11.9374 PRESSURE: 4282800 -168.283 33.6532 -89.2401 33.6541 -281.033 41.2414 -89.2409 41.2409 21.9088 GPRESSURE: 4282800 -161.472 46.1517 -82.9097 13.6702 -226.885 95.3377 -99.1064 -7.86869 55.8019 PRESSAVG: 4282800 34.7063 -4.94284 21.9353 -4.9428 42.3702 -30.3539 21.9353 -30.3539 -55.6631 GPRESSAVG: 4282800 33.8691 -8.05293 23.1458 -1.526 42.0493 -31.4848 23.0431 -29.6343 -54.8335 TIMING: 4282800 CPU: 12399.5, 0.0028639/step Wall: 12399.5, 0.0028639/step, 0.570552 hours remaining, 209.843750 MB of memory in use. ENERGY: 4282800 778.2295 2113.8192 1926.1896 119.0973 -206001.7053 17524.6405 0.0000 0.0000 34157.5132 -149382.2160 298.3061 -183539.7292 -149283.4442 298.3959 -142.4689 -110.8517 556912.6341 7.1378 7.0283 PRESSURE: 4283000 -232.207 -84.5856 106.417 -84.5851 -83.5806 12.1819 106.416 12.1823 -57.884 GPRESSURE: 4283000 -183.539 -117.935 130.465 -81.7196 -61.1736 4.60406 44.317 -21.7119 -18.0155 PRESSAVG: 4283000 42.7439 10.1498 55.0529 10.1498 -6.91068 -7.17694 55.0529 -7.17706 -22.9687 GPRESSAVG: 4283000 42.4808 11.5743 53.712 7.78564 -7.42883 -7.15949 54.7262 -8.49393 -21.9191 TIMING: 4283000 CPU: 12400.1, 0.00288452/step Wall: 12400.1, 0.00288452/step, 0.5745 hours remaining, 209.843750 MB of memory in use. ENERGY: 4283000 706.6573 2079.1692 1940.3585 109.6696 -206143.3816 17618.6778 0.0000 0.0000 34300.2974 -149388.5518 299.5530 -183688.8493 -149283.2475 299.4736 -124.5570 -87.5760 558288.1541 4.2882 4.3776 PRESSURE: 4283200 -110.926 137.798 117.717 137.8 30.7156 78.6552 117.716 78.6555 -19.9634 GPRESSURE: 4283200 -134.932 115.733 70.0232 159.115 96.1339 69.0996 104.884 77.6177 24.238 PRESSAVG: 4283200 -6.06341 43.9956 12.6359 43.9955 -1.0461 11.6492 12.6359 11.6492 -18.5667 GPRESSAVG: 4283200 -5.51131 43.888 12.219 45.7154 -0.562411 10.1728 13.5474 14.3927 -20.0066 TIMING: 4283200 CPU: 12400.7, 0.00289584/step Wall: 12400.7, 0.00289584/step, 0.576595 hours remaining, 209.843750 MB of memory in use. ENERGY: 4283200 746.9852 2115.5326 1933.4731 124.1646 -206132.9031 17806.2519 0.0000 0.0000 34174.9594 -149231.5364 298.4584 -183406.4958 -149130.4489 298.4795 -33.3912 -4.8535 558192.6046 -8.5587 -8.6934 PRESSURE: 4283400 -9.01055 62.6999 -79.6507 62.6993 143.151 95.6398 -79.6502 95.6398 -87.1121 GPRESSURE: 4283400 38.4296 80.0987 23.452 41.9169 195.677 93.9348 -97.0762 -69.9508 -105.113 PRESSAVG: 4283400 -10.9894 2.06937 -61.7129 2.06944 -24.8866 -9.99672 -61.7129 -9.99668 21.4344 GPRESSAVG: 4283400 -11.3899 1.35164 -63.3867 1.27515 -23.4585 -9.04359 -62.1872 -10.4828 20.2069 TIMING: 4283400 CPU: 12401.3, 0.00288148/step Wall: 12401.3, 0.00288148/step, 0.573574 hours remaining, 209.843750 MB of memory in use. ENERGY: 4283400 716.7470 2087.1689 1913.7476 109.1643 -205913.8520 17696.9013 0.0000 0.0000 34291.7468 -149098.3763 299.4784 -183390.1230 -149009.5762 299.2711 15.6762 42.9977 558435.8011 -4.8139 -4.8805 PRESSURE: 4283600 -103.788 -141.1 -30.0156 -141.101 -442.266 99.3785 -30.0164 99.3787 -33.0262 GPRESSURE: 4283600 -103.524 -74.9862 -101.435 -134.56 -340.095 72.9976 -28.9173 82.9644 -39.5725 PRESSAVG: 4283600 1.01204 -27.5239 -14.7658 -27.5238 -38.7426 26.1812 -14.7658 26.1813 83.6429 GPRESSAVG: 4283600 0.308199 -28.5929 -13.1811 -26.4519 -39.1778 26.2747 -16.219 25.4093 84.9158 TIMING: 4283600 CPU: 12401.8, 0.00288178/step Wall: 12401.8, 0.00288178/step, 0.573474 hours remaining, 209.843750 MB of memory in use. ENERGY: 4283600 753.0829 2066.2157 1960.0711 118.3492 -205674.4385 17395.6369 0.0000 0.0000 34166.3061 -149214.7767 298.3828 -183381.0828 -149122.2634 300.1509 -193.0267 -161.0638 557689.2553 15.3041 15.3488 PRESSURE: 4283800 -22.1554 -57.3298 8.46531 -57.3306 -165.135 -24.5126 8.46579 -24.5132 -115.632 GPRESSURE: 4283800 40.1996 -30.4482 -15.6084 -38.9969 -129.4 -73.9727 43.5634 88.7142 -125.13 PRESSAVG: 4283800 52.7714 -45.6188 6.04492 -45.6187 -62.9218 -0.301173 6.04497 -0.301243 36.8237 GPRESSAVG: 4283800 52.2751 -41.2895 6.82757 -48.5728 -62.8037 0.275447 6.27078 -0.331343 36.9151 TIMING: 4283800 CPU: 12402.4, 0.00287513/step Wall: 12402.4, 0.00287513/step, 0.571991 hours remaining, 209.843750 MB of memory in use. ENERGY: 4283800 744.9526 2049.6026 1941.9747 117.6121 -206081.6144 17620.5796 0.0000 0.0000 34546.2760 -149060.6169 301.7012 -183606.8929 -148962.4261 299.6553 -100.9742 -71.4433 557513.0326 8.8911 8.7955 PRESSURE: 4284000 -146.297 -123.577 85.8051 -123.577 -77.8119 306.582 85.8042 306.581 85.3816 GPRESSURE: 4284000 -121.339 -160.024 101.079 -142.281 -18.282 293.964 68.0944 305.351 96.943 PRESSAVG: 4284000 50.8505 -27.7815 32.0721 -27.7815 -48.7063 -1.55181 32.0721 -1.55187 38.6741 GPRESSAVG: 4284000 51.4881 -30.4899 34.2582 -26.0675 -47.9867 -2.60884 31.5849 -1.11558 37.4746 TIMING: 4284000 CPU: 12403, 0.00288363/step Wall: 12403, 0.00288363/step, 0.573523 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4284000 727.0416 2103.1935 1932.6190 109.9584 -206188.1882 17808.1800 0.0000 0.0000 34239.4980 -149267.6978 299.0221 -183507.1958 -149174.4097 299.7029 -46.2425 -14.2259 556624.3245 13.6061 13.6587 PRESSURE: 4284200 111.635 -110.456 9.53121 -110.457 66.2754 48.1634 9.53172 48.1625 -87.9604 GPRESSURE: 4284200 143.763 -95.2627 38.4269 -102.908 124.691 -29.7014 83.7961 86.0734 -98.3086 PRESSAVG: 4284200 17.7941 -17.1879 46.2832 -17.1879 -8.56943 -25.1087 46.2831 -25.1088 -25.6407 GPRESSAVG: 4284200 18.2063 -16.7485 43.7779 -17.6688 -9.04003 -26.9871 47.6423 -25.1712 -25.9693 TIMING: 4284200 CPU: 12403.6, 0.00288006/step Wall: 12403.6, 0.00288006/step, 0.572652 hours remaining, 209.843750 MB of memory in use. ENERGY: 4284200 730.1692 2111.9525 1936.2192 109.0429 -206279.7798 17940.6390 0.0000 0.0000 34257.7169 -149194.0401 299.1812 -183451.7570 -149091.5488 299.6004 29.9834 56.7152 556728.6325 -5.4720 -5.6010 LDB: ============= START OF LOAD BALANCING ============== 12406.9 LDB: ============== END OF LOAD BALANCING =============== 12406.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12406.9 LDB: ============= START OF LOAD BALANCING ============== 12407.2 LDB: Largest compute 4773 load 0.026631 is 22.6% of average load 0.118014 LDB: Average compute 0.001731 is 1.5% of average load 0.118014 LDB: TIME 12407.2 LOAD: AVG 0.118014 MAX 0.180119 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.613 MB LDB: TIME 12407.2 LOAD: AVG 0.118014 MAX 0.180119 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.613 MB LDB: TIME 12407.2 LOAD: AVG 0.118014 MAX 0.180119 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12407.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12407.2 PRESSURE: 4284400 -123.879 -6.3384 42.9385 -6.33882 178.254 102.126 42.9381 102.127 0.545233 GPRESSURE: 4284400 -34.5163 -16.862 85.387 26.933 192.191 28.886 81.7549 80.1839 -4.05719 PRESSAVG: 4284400 32.1919 -10.0986 41.9324 -10.0985 -15.6836 -69.9778 41.9324 -69.9778 3.12744 GPRESSAVG: 4284400 32.1924 -11.831 43.2684 -9.83105 -15.5967 -69.833 41.1531 -67.7248 3.18986 TIMING: 4284400 CPU: 12404.1, 0.00295089/step Wall: 12404.1, 0.00295089/step, 0.586572 hours remaining, 210.355469 MB of memory in use. ENERGY: 4284400 777.6909 2092.3457 1938.0596 105.6905 -206362.6094 17996.3178 0.0000 0.0000 34283.8574 -149168.6475 299.4095 -183452.5048 -149072.5878 299.2968 18.3066 51.2059 557626.1030 6.5452 6.5952 PRESSURE: 4284600 159.379 -52.8517 267.706 -52.8514 -252.116 -72.9134 267.705 -72.9142 -69.7406 GPRESSURE: 4284600 111.005 64.9002 244.812 -74.1254 -193.978 -122.805 244.57 -38.1295 26.3289 PRESSAVG: 4284600 -5.73479 14.8461 66.4138 14.8461 7.44779 30.7782 66.4138 30.7782 -20.125 GPRESSAVG: 4284600 -5.95326 14.0164 65.6017 15.9122 7.21699 32.7618 67.0683 29.1239 -20.0117 TIMING: 4284600 CPU: 12404.7, 0.0029021/step Wall: 12404.7, 0.0029021/step, 0.576711 hours remaining, 210.355469 MB of memory in use. ENERGY: 4284600 790.5108 2100.0752 1957.4560 112.5454 -206178.3654 17847.4078 0.0000 0.0000 34128.9624 -149241.4077 298.0567 -183370.3701 -149142.7236 299.1761 -54.1590 -18.8815 557169.8624 -6.1373 -6.2493 PRESSURE: 4284800 -153.427 81.5099 0.624748 81.5119 95.1946 -108.748 0.625315 -108.747 -228.025 GPRESSURE: 4284800 -88.0341 -15.1471 64.7615 126.355 94.3489 -113.219 -21.9101 -37.4559 -199.335 PRESSAVG: 4284800 28.5056 -0.450633 32.3954 -0.45058 -10.2961 -35.0948 32.3954 -35.0948 -28.6994 GPRESSAVG: 4284800 29.5468 0.150285 31.6146 -0.382653 -11.5174 -36.9029 32.2753 -33.8298 -28.431 TIMING: 4284800 CPU: 12405.3, 0.00288562/step Wall: 12405.3, 0.00288562/step, 0.573277 hours remaining, 210.355469 MB of memory in use. ENERGY: 4284800 747.4074 2121.4711 1947.1606 109.4376 -206077.7312 17788.7143 0.0000 0.0000 34206.2650 -149157.2753 298.7318 -183363.5403 -149062.8521 298.9198 -95.4190 -64.3400 558514.4927 -3.4966 -3.4672 PRESSURE: 4285000 60.0402 -24.077 -54.1735 -24.0756 -88.4121 103.414 -54.1733 103.414 187.392 GPRESSURE: 4285000 51.4288 -106.81 -17.1212 -46.3431 -40.3257 162.333 -70.8985 -30.4721 233.532 PRESSAVG: 4285000 -4.28253 4.84215 13.9395 4.84214 13.295 8.53428 13.9395 8.53427 6.80992 GPRESSAVG: 4285000 -5.75325 5.84027 14.1947 3.82621 15.1394 11.0407 14.4452 7.81508 6.31413 TIMING: 4285000 CPU: 12405.9, 0.00288813/step Wall: 12405.9, 0.00288813/step, 0.573616 hours remaining, 210.355469 MB of memory in use. ENERGY: 4285000 775.4677 2156.3447 1970.7633 120.3697 -206586.0729 18076.1269 0.0000 0.0000 34276.7039 -149210.2969 299.3470 -183487.0008 -149113.9706 299.3734 53.0066 81.5450 558034.0970 5.2741 5.2334 PRESSURE: 4285200 -179.025 99.3713 99.84 99.3731 -34.9218 -92.6689 99.8398 -92.6679 126.371 GPRESSURE: 4285200 -154.856 76.2959 73.8274 105.326 1.76651 -33.8608 95.8904 -76.6489 169.649 PRESSAVG: 4285200 -47.0224 -2.21447 -42.3575 -2.2145 17.1181 -34.8191 -42.3574 -34.8191 16.9895 GPRESSAVG: 4285200 -46.6058 -4.06082 -43.0659 1.45663 16.0592 -35.3027 -42.4947 -34.7282 17.2433 TIMING: 4285200 CPU: 12406.5, 0.00287753/step Wall: 12406.5, 0.00287753/step, 0.571349 hours remaining, 210.355469 MB of memory in use. ENERGY: 4285200 745.4052 2095.7842 1965.0837 109.5987 -206495.0801 17933.0110 0.0000 0.0000 34245.9923 -149400.2048 299.0788 -183646.1972 -149303.5488 299.2161 -29.1921 5.5198 558979.6536 -4.3050 -4.4344 PRESSURE: 4285400 293.891 -31.6973 -128.14 -31.6965 91.8552 29.5321 -128.14 29.5308 185.172 GPRESSURE: 4285400 340.512 -16.7896 -151.271 -31.9624 77.1575 31.6389 -125.557 56.1101 257.503 PRESSAVG: 4285400 28.9607 -53.5509 -28.4324 -53.5508 -31.5515 8.62205 -28.4324 8.62209 37.4238 GPRESSAVG: 4285400 28.4446 -51.075 -26.9446 -57.9088 -31.8004 9.34971 -28.8629 9.45845 38.1315 TIMING: 4285400 CPU: 12407, 0.00289828/step Wall: 12407, 0.00289828/step, 0.575308 hours remaining, 210.355469 MB of memory in use. ENERGY: 4285400 747.2253 2157.5436 1931.7617 106.7830 -206372.5879 17945.3714 0.0000 0.0000 34291.3567 -149192.5462 299.4749 -183483.9029 -149097.1376 299.2726 190.3063 225.0575 557006.9405 11.6110 11.5919 PRESSURE: 4285600 66.5852 33.1941 -160.301 33.1937 -144.406 44.8318 -160.302 44.8317 15.8309 GPRESSURE: 4285600 77.8225 43.4706 -271.665 -8.85971 -102.038 119.4 -82.2902 -128.145 58.4272 PRESSAVG: 4285600 36.8944 -52.8964 -29.4187 -52.8963 -71.1506 -18.6974 -29.4187 -18.6974 36.3658 GPRESSAVG: 4285600 37.2326 -54.063 -30.7811 -53.2347 -70.486 -18.7854 -28.1054 -20.1427 36.1503 TIMING: 4285600 CPU: 12407.6, 0.00290422/step Wall: 12407.6, 0.00290422/step, 0.576325 hours remaining, 210.355469 MB of memory in use. ENERGY: 4285600 761.7936 2106.8407 1939.0859 127.7165 -206399.4125 17823.5302 0.0000 0.0000 34319.1221 -149321.3235 299.7174 -183640.4456 -149225.0263 299.3321 -20.6632 11.4038 557270.9363 0.7032 0.9656 PRESSURE: 4285800 -172.235 14.5001 -26.7349 14.5005 99.9617 25.2129 -26.7351 25.213 -181.301 GPRESSURE: 4285800 -194.079 -1.74673 67.1927 45.788 184.414 -72.1284 -93.2008 78.7591 -135.289 PRESSAVG: 4285800 23.0291 -1.5096 -20.2849 -1.50967 2.36596 -19.3987 -20.2849 -19.3987 -23.5958 GPRESSAVG: 4285800 23.0928 -2.72229 -19.7547 -0.0104069 2.27792 -18.021 -21.2915 -18.9937 -23.8228 TIMING: 4285800 CPU: 12408.2, 0.00289863/step Wall: 12408.2, 0.00289863/step, 0.575056 hours remaining, 210.355469 MB of memory in use. ENERGY: 4285800 749.8328 2121.5340 1954.5658 109.0204 -206233.9639 17805.2009 0.0000 0.0000 34228.2017 -149265.6083 298.9234 -183493.8100 -149170.2086 299.0326 -84.5245 -48.3176 558003.3784 0.5998 0.5160 PRESSURE: 4286000 -31.8853 -53.2007 28.4058 -53.2021 36.2219 67.8123 28.4061 67.8121 208.791 GPRESSURE: 4286000 75.2733 10.2169 43.4688 -123.014 78.7435 21.6985 64.3294 68.3169 150.831 PRESSAVG: 4286000 -13.6151 -16.8908 15.4987 -16.8908 -20.8222 -0.251023 15.4988 -0.251012 9.47802 GPRESSAVG: 4286000 -14.1941 -14.008 17.3331 -18.0547 -19.9864 -1.92256 15.5437 0.120104 9.31891 TIMING: 4286000 CPU: 12408.8, 0.002899/step Wall: 12408.8, 0.002899/step, 0.574969 hours remaining, 210.355469 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: 4286000 723.5538 2061.5380 1956.0100 109.0666 -206208.4700 17927.5612 0.0000 0.0000 34225.4312 -149205.3093 298.8992 -183430.7405 -149104.4703 298.9751 71.0427 101.6160 557288.4288 -8.3197 -8.2872 PRESSURE: 4286200 -160.042 14.4086 -0.341625 14.4081 61.4908 284.358 -0.340324 284.357 14.2172 GPRESSURE: 4286200 -177.479 -78.5642 -32.6384 60.2792 113.143 276.412 -18.2754 305.111 66.9093 PRESSAVG: 4286200 50.9924 -11.3556 -42.9375 -11.3556 -35.064 -3.62985 -42.9374 -3.62981 -38.7409 GPRESSAVG: 4286200 52.1305 -12.3643 -45.0578 -9.93404 -36.4536 -3.92515 -43.4079 -3.10944 -38.5642 TIMING: 4286200 CPU: 12409.4, 0.00287535/step Wall: 12409.4, 0.00287535/step, 0.570119 hours remaining, 210.355469 MB of memory in use. ENERGY: 4286200 715.3169 2092.2087 1943.5032 112.1495 -206049.6781 17857.5730 0.0000 0.0000 34113.7541 -149215.1727 297.9239 -183328.9268 -149125.0464 298.8548 -28.1113 0.8578 559223.3168 -7.6042 -7.6291 PRESSURE: 4286400 -267.246 -138.337 -96.8995 -138.338 -139.246 -69.0708 -96.899 -69.0714 -43.7224 GPRESSURE: 4286400 -217.069 -139.194 -126.748 -106.777 -117.043 -79.7979 -104.404 -10.9932 -27.0085 PRESSAVG: 4286400 -30.8341 -33.6679 -15.4238 -33.6679 13.1087 13.5547 -15.4237 13.5548 -29.1316 GPRESSAVG: 4286400 -31.761 -32.4984 -16.7823 -34.505 14.5288 13.7661 -12.9908 13.4247 -29.8142 TIMING: 4286400 CPU: 12409.9, 0.0028677/step Wall: 12409.9, 0.0028677/step, 0.568443 hours remaining, 210.355469 MB of memory in use. ENERGY: 4286400 746.0680 2113.4517 1970.3390 113.4427 -206070.6178 17705.0672 0.0000 0.0000 34179.4706 -149242.7786 298.4978 -183422.2492 -149152.3193 299.0651 -150.0716 -120.3734 559983.4236 -15.6190 -15.6822 PRESSURE: 4286600 68.8353 -140.336 -62.839 -140.334 8.27275 161.083 -62.8406 161.084 34.454 GPRESSURE: 4286600 113.999 -146.014 -39.1297 -171.421 18.5975 213.023 -106.135 126.776 74.8075 PRESSAVG: 4286600 10.9645 -24.4856 -32.5527 -24.4856 -6.38307 -44.0696 -32.5528 -44.0696 9.56323 GPRESSAVG: 4286600 10.5691 -26.2789 -30.2639 -23.8159 -7.04762 -42.9099 -34.2356 -44.823 10.3908 TIMING: 4286600 CPU: 12410.5, 0.00285408/step Wall: 12410.5, 0.00285408/step, 0.565583 hours remaining, 210.355469 MB of memory in use. ENERGY: 4286600 737.1104 2095.2028 1933.6106 100.6445 -206244.2804 18029.8674 0.0000 0.0000 34151.6485 -149196.1963 298.2548 -183347.8448 -149100.4453 299.2517 37.1873 69.1346 557418.6581 4.7149 4.6374 PRESSURE: 4286800 -57.5712 -81.2268 -34.1122 -81.2262 -273.378 -5.00442 -34.1123 -5.00525 -78.1982 GPRESSURE: 4286800 -36.3633 -63.5049 -37.9396 -13.2351 -217.522 34.6583 -23.9361 -80.6193 -83.0515 PRESSAVG: 4286800 -24.5093 -54.9671 31.6545 -54.9671 -24.2437 -16.7023 31.6545 -16.7023 20.0834 GPRESSAVG: 4286800 -23.118 -54.987 29.937 -53.8564 -24.3681 -17.7171 30.9532 -15.1037 18.5661 TIMING: 4286800 CPU: 12411.1, 0.00288358/step Wall: 12411.1, 0.00288358/step, 0.57127 hours remaining, 210.355469 MB of memory in use. ENERGY: 4286800 780.4491 2085.5568 1919.6030 109.2985 -206198.1100 17662.5218 0.0000 0.0000 34520.5176 -149120.1632 301.4763 -183640.6808 -149026.0571 299.1872 -136.3825 -112.3124 558276.6840 -9.5565 -9.6400 PRESSURE: 4287000 -70.2174 75.586 -185.849 75.5854 251.585 106.178 -185.849 106.178 135.112 GPRESSURE: 4287000 -13.0492 48.8556 -153.259 61.0623 280.822 140.25 -187.082 137.237 141.55 PRESSAVG: 4287000 -8.47707 27.0025 3.50699 27.0025 -27.1236 -13.8475 3.50692 -13.8475 -1.03514 GPRESSAVG: 4287000 -8.35466 27.5505 4.96147 24.8968 -26.8561 -12.5966 3.28747 -15.2227 -1.25711 TIMING: 4287000 CPU: 12411.7, 0.00290666/step Wall: 12411.7, 0.00290666/step, 0.575681 hours remaining, 210.355469 MB of memory in use. ENERGY: 4287000 752.3823 2109.0980 1926.8661 116.4764 -206204.8815 18017.1401 0.0000 0.0000 34218.3270 -149064.5915 298.8372 -183282.9185 -148968.3244 299.5009 105.4933 136.4408 559641.8289 -12.2119 -12.1559 PRESSURE: 4287200 8.00173 40.574 206.338 40.5746 116.689 151.159 206.338 151.161 134.684 GPRESSURE: 4287200 -5.44925 19.007 165.712 56.5157 85.291 103.641 142.719 121.728 270.93 PRESSAVG: 4287200 -36.4675 24.0418 -39.6434 24.0418 13.7355 24.7876 -39.6435 24.7877 -14.5058 GPRESSAVG: 4287200 -36.9625 21.9529 -39.2829 25.0654 13.8799 24.4189 -40.4266 25.8596 -13.7522 TIMING: 4287200 CPU: 12412.2, 0.00286463/step Wall: 12412.2, 0.00286463/step, 0.567198 hours remaining, 210.355469 MB of memory in use. ENERGY: 4287200 743.4542 2072.9812 1921.7454 98.8350 -206241.1387 18051.5934 0.0000 0.0000 34356.7002 -148995.8292 300.0456 -183352.5294 -148906.6792 299.6089 86.4581 116.9238 558847.6634 -12.4126 -12.2783 PRESSURE: 4287400 36.6563 -100.064 -50.995 -100.066 192.086 -90.0636 -50.995 -90.0635 124.672 GPRESSURE: 4287400 54.4258 -112.304 -60.2394 -122.948 164.704 -130.325 -118.46 -145.017 220.688 PRESSAVG: 4287400 -32.9312 -5.78203 34.0356 -5.78202 79.9965 2.75604 34.0356 2.75599 -35.716 GPRESSAVG: 4287400 -33.4231 -2.72322 31.8389 -7.21502 79.7464 4.09427 36.0554 2.8544 -35.6066 TIMING: 4287400 CPU: 12412.8, 0.00286419/step Wall: 12412.8, 0.00286419/step, 0.56695 hours remaining, 210.355469 MB of memory in use. ENERGY: 4287400 720.3167 2117.2558 1946.9236 132.2944 -206482.7116 17979.2966 0.0000 0.0000 34409.6737 -149176.9508 300.5082 -183586.6245 -149080.9434 299.9926 117.8047 146.6058 558054.1182 3.7831 3.5722 PRESSURE: 4287600 164.517 -80.5746 72.5113 -80.5752 28.6911 -156.283 72.5121 -156.284 54.1502 GPRESSURE: 4287600 198.504 -110.824 152.428 -38.1502 43.3268 -184.056 54.1497 -156.35 86.3421 PRESSAVG: 4287600 -40.834 -1.94103 13.1471 -1.94099 -20.8947 19.076 13.1471 19.0759 12.4313 GPRESSAVG: 4287600 -40.0367 -2.5885 13.1413 -2.35742 -21.1193 16.908 13.4808 18.5966 11.7352 TIMING: 4287600 CPU: 12413.4, 0.00289011/step Wall: 12413.4, 0.00289011/step, 0.57192 hours remaining, 210.355469 MB of memory in use. ENERGY: 4287600 707.7778 2085.3467 1919.0914 110.1328 -206449.1712 17877.3261 0.0000 0.0000 34628.0868 -149121.4097 302.4157 -183749.4965 -149029.2144 299.4622 82.4527 109.3910 557466.4596 -16.4325 -16.4736 PRESSURE: 4287800 -5.78535 -100.149 109.796 -100.149 -172.25 -68.7516 109.795 -68.7519 -53.1949 GPRESSURE: 4287800 2.37692 -103.101 60.6336 -129.341 -106.779 -116.761 37.4404 -10.4227 -24.9791 PRESSAVG: 4287800 0.662501 -25.423 -21.5541 -25.423 -4.92157 -26.6448 -21.5541 -26.6448 -14.8989 GPRESSAVG: 4287800 0.444695 -25.8315 -21.3089 -25.0524 -4.74692 -27.1985 -21.6231 -25.9413 -14.6503 TIMING: 4287800 CPU: 12414, 0.0028836/step Wall: 12414, 0.0028836/step, 0.570472 hours remaining, 210.355469 MB of memory in use. ENERGY: 4287800 778.7289 2040.5633 1987.7353 117.9930 -206055.3191 17766.3405 0.0000 0.0000 34423.3900 -148940.5682 300.6280 -183363.9581 -148844.5181 300.0483 -77.0767 -43.1272 557699.6097 -6.3860 -6.3175 PRESSURE: 4288000 -88.5357 -19.1736 35.4407 -19.1742 -25.5322 82.0308 35.4403 82.0301 -134.262 GPRESSURE: 4288000 -95.8502 -51.2181 11.1734 -145.005 -19.5142 143.636 -43.0927 10.896 -41.9187 PRESSAVG: 4288000 -58.7137 -39.0682 -4.55497 -39.0681 -42.4147 2.73512 -4.55501 2.73509 91.7341 GPRESSAVG: 4288000 -58.6331 -36.9076 -3.1955 -39.8504 -42.1004 3.16008 -3.41507 3.50238 91.7497 TIMING: 4288000 CPU: 12414.5, 0.00286807/step Wall: 12414.5, 0.00286807/step, 0.567241 hours remaining, 210.355469 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: 4288000 745.6111 2079.1039 1948.7421 119.0178 -205762.3667 17739.4389 0.0000 0.0000 34226.9950 -148903.4579 298.9129 -183130.4529 -148809.3423 299.9757 -82.7765 -52.4277 557992.0581 -3.1314 -2.9946 PRESSURE: 4288200 151.126 143.302 41.7008 143.301 -127.751 -68.5822 41.7017 -68.5809 -73.5108 GPRESSURE: 4288200 180.256 156.82 54.6218 97.4122 -76.3688 -115.631 113.925 -87.4007 -55.8154 PRESSAVG: 4288200 13.685 53.0034 24.7377 53.0034 -48.534 32.4474 24.7376 32.4474 7.64562 GPRESSAVG: 4288200 13.1648 50.2096 24.3568 54.0512 -47.7409 33.1082 24.5686 32.3673 7.60582 TIMING: 4288200 CPU: 12415.1, 0.00288079/step Wall: 12415.1, 0.0028808/step, 0.569597 hours remaining, 210.355469 MB of memory in use. ENERGY: 4288200 724.5657 2053.3607 1963.6367 114.9068 -206081.1361 17755.3336 0.0000 0.0000 34370.0991 -149099.2335 300.1626 -183469.3326 -149005.2202 299.8227 -16.7122 16.0239 558010.8141 -9.0678 -8.9901 LDB: ============= START OF LOAD BALANCING ============== 12418.5 LDB: ============== END OF LOAD BALANCING =============== 12418.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12418.5 LDB: ============= START OF LOAD BALANCING ============== 12418.8 LDB: Largest compute 4773 load 0.027008 is 22.9% of average load 0.118030 LDB: Average compute 0.001736 is 1.5% of average load 0.118030 LDB: TIME 12418.8 LOAD: AVG 0.11803 MAX 0.179511 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.379 MB LDB: TIME 12418.8 LOAD: AVG 0.11803 MAX 0.179511 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.379 MB LDB: TIME 12418.8 LOAD: AVG 0.11803 MAX 0.179511 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.379 MB LDB: ============== END OF LOAD BALANCING =============== 12418.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12418.8 PRESSURE: 4288400 6.28473 37.8189 -129.307 37.8184 -260.224 81.5455 -129.307 81.5434 -46.4963 GPRESSURE: 4288400 35.7197 -17.1135 -124.121 19.655 -222.614 103.168 -195.483 60.6851 -9.08253 PRESSAVG: 4288400 61.796 4.19799 6.25634 4.19802 -31.2993 -21.2084 6.25623 -21.2084 5.86991 GPRESSAVG: 4288400 63.1771 4.80505 5.09506 4.52009 -32.9021 -23.4121 4.98885 -21.4007 6.36167 TIMING: 4288400 CPU: 12415.7, 0.0029597/step Wall: 12415.7, 0.0029597/step, 0.585035 hours remaining, 211.894531 MB of memory in use. ENERGY: 4288400 706.6642 2082.0467 1935.1752 123.4616 -205942.1152 17595.2426 0.0000 0.0000 34376.9389 -149122.5860 300.2224 -183499.5250 -149022.6769 299.7130 -100.1452 -65.3255 557877.7724 12.1222 12.2122 PRESSURE: 4288600 -211.417 -72.9627 -9.82126 -72.9626 -376.91 -217.391 -9.82074 -217.391 -183.423 GPRESSURE: 4288600 -166.849 -8.48769 -89.9469 -37.5858 -310.842 -150.653 35.479 -222.103 -201.417 PRESSAVG: 4288600 25.0729 10.0021 12.1118 10.0022 -13.2251 35.9737 12.1118 35.9738 1.08236 GPRESSAVG: 4288600 24.4404 7.97084 12.5085 8.66532 -12.6529 36.4852 11.5744 35.5468 0.813405 TIMING: 4288600 CPU: 12416.3, 0.00289321/step Wall: 12416.3, 0.00289321/step, 0.57173 hours remaining, 212.093750 MB of memory in use. ENERGY: 4288600 742.4575 2120.3524 1962.2676 102.6858 -205731.0311 17399.1393 0.0000 0.0000 34100.7978 -149303.3307 297.8107 -183404.1285 -149206.9040 299.0923 -257.2500 -226.3693 557724.6626 4.3101 4.2003 PRESSURE: 4288800 -60.8933 65.219 260.553 65.2202 -178.555 51.3042 260.554 51.3034 -181.194 GPRESSURE: 4288800 -43.2472 -60.5376 222.421 161.688 -123.398 137.524 263.412 17.3154 -169.718 PRESSAVG: 4288800 48.4064 66.3733 -7.95049 66.3733 9.96041 5.45365 -7.95044 5.45375 -42.5685 GPRESSAVG: 4288800 49.18 69.0389 -7.23146 66.8404 9.64101 7.62169 -5.92994 5.79156 -43.1215 TIMING: 4288800 CPU: 12416.9, 0.0028828/step Wall: 12416.9, 0.0028828/step, 0.569514 hours remaining, 212.093750 MB of memory in use. ENERGY: 4288800 751.1330 2125.4976 1982.2473 111.5436 -206063.1312 17588.9039 0.0000 0.0000 34118.4256 -149385.3803 297.9647 -183503.8059 -149292.9592 299.0800 -140.2141 -112.1210 556028.7545 5.2661 5.2332 PRESSURE: 4289000 37.2964 9.74613 193.266 9.74604 -30.0577 -120.315 193.265 -120.316 -15.2961 GPRESSURE: 4289000 62.5452 -9.89749 145.046 -37.4062 -5.7961 -93.0861 222.538 -177.855 32.8484 PRESSAVG: 4289000 81.9505 -6.59011 22.377 -6.59004 -19.9851 -57.6231 22.3771 -57.6229 -18.0986 GPRESSAVG: 4289000 80.5502 -8.46914 20.3723 -7.60509 -19.5372 -58.277 23.2109 -59.4838 -16.6871 TIMING: 4289000 CPU: 12417.4, 0.00289404/step Wall: 12417.4, 0.00289404/step, 0.571573 hours remaining, 212.093750 MB of memory in use. ENERGY: 4289000 746.3585 2067.5280 1971.9359 105.5874 -206080.2839 17698.9047 0.0000 0.0000 34183.7186 -149306.2508 298.5349 -183489.9694 -149204.9858 298.9500 -2.6858 29.8658 556829.1894 14.6223 14.7753 PRESSURE: 4289200 -31.0645 -183.264 -110.407 -183.264 -154.279 76.0701 -110.408 76.0712 -258.424 GPRESSURE: 4289200 -47.4024 -127.506 -124.387 -125.623 -74.3416 13.8244 -45.1022 170.934 -238.195 PRESSAVG: 4289200 12.9211 4.01353 -9.47355 4.01348 4.78174 -39.9983 -9.47357 -39.9983 5.22027 GPRESSAVG: 4289200 12.7315 6.08655 -7.54071 4.77989 6.09114 -41.0888 -12.2942 -37.4691 4.14922 TIMING: 4289200 CPU: 12418, 0.00290165/step Wall: 12418, 0.00290165/step, 0.572914 hours remaining, 212.093750 MB of memory in use. ENERGY: 4289200 767.1594 2099.6393 1946.3132 120.0106 -206223.6255 17593.4559 0.0000 0.0000 34365.7098 -149331.3373 300.1243 -183697.0471 -149238.0407 298.6817 -147.9224 -119.9797 556546.5103 7.6410 7.6573 PRESSURE: 4289400 -117.724 24.6007 71.5578 24.6016 114.374 -38.2569 71.5587 -38.256 -83.0342 GPRESSURE: 4289400 -92.248 78.1624 71.5584 -19.7197 133.809 29.3363 22.4966 -70.6484 -25.6161 PRESSAVG: 4289400 46.7267 13.9911 -16.0177 13.9912 4.37892 4.61817 -16.0177 4.61822 -26.6606 GPRESSAVG: 4289400 47.6948 13.7532 -17.708 13.1428 3.86557 5.43758 -14.8681 3.51218 -26.6786 TIMING: 4289400 CPU: 12418.6, 0.00288476/step Wall: 12418.6, 0.00288476/step, 0.569419 hours remaining, 212.093750 MB of memory in use. ENERGY: 4289400 803.9308 2106.9432 1950.8101 113.9553 -206265.0698 17767.4019 0.0000 0.0000 34068.6273 -149453.4012 297.5298 -183522.0285 -149366.1906 298.3804 -28.7948 5.3149 556983.4994 8.1483 8.2939 PRESSURE: 4289600 100.94 -3.85167 -67.3678 -3.85129 -74.1631 -44.6503 -67.3665 -44.65 -104.388 GPRESSURE: 4289600 134.866 -36.7702 -42.5483 16.2844 -68.5799 -75.7922 -57.6743 -4.55603 -53.3341 PRESSAVG: 4289600 -35.4661 33.8259 -8.10288 33.826 32.5462 -27.5481 -8.10292 -27.5482 -31.6245 GPRESSAVG: 4289600 -35.943 33.7231 -4.63639 35.4939 32.1837 -26.0453 -9.50707 -29.0586 -30.8769 TIMING: 4289600 CPU: 12419.2, 0.00287184/step Wall: 12419.2, 0.00287184/step, 0.566709 hours remaining, 212.093750 MB of memory in use. ENERGY: 4289600 742.7620 2098.6481 1952.0512 123.7135 -206418.8149 17891.5044 0.0000 0.0000 34247.4963 -149362.6394 299.0919 -183610.1357 -149268.9874 298.6887 -25.8702 4.3172 557952.8934 -11.5148 -11.5454 PRESSURE: 4289800 -277.894 7.12012 -287.782 7.12047 -256.941 -222.607 -287.782 -222.606 10.8166 GPRESSURE: 4289800 -234.842 6.08657 -404.926 48.8889 -205.803 -221.82 -295.315 -127.954 3.83995 PRESSAVG: 4289800 7.04763 -15.7529 5.22407 -15.7529 47.5018 1.35423 5.22407 1.35426 -42.2855 GPRESSAVG: 4289800 7.90999 -16.4339 2.28132 -16.1452 47.9297 -0.273955 6.74296 1.16487 -43.53 TIMING: 4289800 CPU: 12419.7, 0.00287249/step Wall: 12419.7, 0.00287249/step, 0.566678 hours remaining, 212.093750 MB of memory in use. ENERGY: 4289800 742.4151 2158.4710 1946.8796 120.6018 -206368.6846 17650.7672 0.0000 0.0000 34401.4833 -149348.0667 300.4367 -183749.5500 -149249.1646 298.7776 -174.6726 -145.6019 557113.2194 4.0880 4.1032 PRESSURE: 4290000 153.769 -2.33645 -172.675 -2.33647 105.521 -120.04 -172.673 -120.041 109.855 GPRESSURE: 4290000 148.729 -4.44391 -147.126 -26.3368 173.858 18.4905 -87.2716 -102.604 150.677 PRESSAVG: 4290000 54.9997 -9.55716 26.7553 -9.55715 1.80999 -29.7612 26.7553 -29.7611 -35.7654 GPRESSAVG: 4290000 54.1586 -9.33654 28.6794 -9.25406 1.56219 -30.1568 27.0742 -27.9436 -34.7955 TIMING: 4290000 CPU: 12420.3, 0.00287727/step Wall: 12420.3, 0.00287727/step, 0.567462 hours remaining, 212.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4290000 724.1023 2129.1172 1918.9079 119.1319 -206573.3942 17924.8647 0.0000 0.0000 34342.4156 -149414.8545 299.9209 -183757.2701 -149318.7072 299.3660 123.0483 157.7547 556664.5806 7.0148 6.9751 PRESSURE: 4290200 49.8004 -98.8937 70.3737 -98.8929 -281.1 93.0957 70.3733 93.0946 -36.0023 GPRESSURE: 4290200 89.1243 -102.196 108.793 -175.523 -240.698 154.133 16.8105 112.996 -21.7131 PRESSAVG: 4290200 -17.5737 -5.55539 4.78958 -5.55531 12.0005 -7.5585 4.78958 -7.5585 47.0624 GPRESSAVG: 4290200 -19.3888 -6.65991 3.59115 -5.79242 13.2775 -6.12285 3.67297 -8.46623 47.8875 TIMING: 4290200 CPU: 12420.9, 0.0028905/step Wall: 12420.9, 0.0028905/step, 0.56991 hours remaining, 212.093750 MB of memory in use. ENERGY: 4290200 727.3693 2147.1561 1923.5463 120.5618 -206252.3445 17695.2510 0.0000 0.0000 34311.9109 -149326.5492 299.6545 -183638.4601 -149220.9991 299.2783 -89.1005 -57.7623 558316.4166 13.8297 13.9254 PRESSURE: 4290400 121.572 -65.5294 76.4705 -65.5297 -110.073 33.8467 76.4704 33.8459 128.716 GPRESSURE: 4290400 183.638 -64.9645 107.718 -62.9893 -31.4417 27.6151 55.0944 63.3132 90.2139 PRESSAVG: 4290400 48.4811 -17.1849 -14.568 -17.1849 -71.0613 7.03518 -14.5681 7.03531 3.29708 GPRESSAVG: 4290400 49.876 -17.7482 -14.7868 -16.9814 -72.7381 7.4751 -12.2124 7.27383 3.45403 TIMING: 4290400 CPU: 12421.5, 0.00286161/step Wall: 12421.5, 0.00286161/step, 0.564055 hours remaining, 212.093750 MB of memory in use. ENERGY: 4290400 709.8460 2151.8982 1950.2338 112.2035 -206612.8743 17954.9492 0.0000 0.0000 34350.0927 -149383.6509 299.9879 -183733.7436 -149286.8020 299.0895 46.7386 80.8035 557557.2610 -6.4277 -6.4693 PRESSURE: 4290600 -39.7347 74.6373 -75.6014 74.6388 -0.931394 -44.5415 -75.6011 -44.5408 -213.662 GPRESSURE: 4290600 -26.6527 5.34548 -78.8456 -10.3832 -7.32543 -24.7371 -45.3321 -36.2478 -121.792 PRESSAVG: 4290600 23.2949 -9.47124 -16.1729 -9.47119 -66.3219 -2.26765 -16.1729 -2.26757 48.2131 GPRESSAVG: 4290600 22.5216 -8.92496 -14.9484 -10.9973 -65.5004 -6.06997 -18.7903 -2.64802 47.9299 TIMING: 4290600 CPU: 12422, 0.00287896/step Wall: 12422, 0.00287896/step, 0.567315 hours remaining, 212.093750 MB of memory in use. ENERGY: 4290600 744.3442 2111.7664 1961.6285 108.1876 -206121.4828 17787.4434 0.0000 0.0000 33908.1721 -149499.9406 296.1285 -183408.1127 -149406.1139 298.6134 -84.7759 -51.9233 557777.4598 1.7287 1.6504 PRESSURE: 4290800 169.43 136.585 -78.4621 136.586 13.5835 -159.163 -78.462 -159.163 7.87289 GPRESSURE: 4290800 224.884 151.499 -89.6122 230.183 57.4973 -195.939 -92.4024 -122.102 18.5443 PRESSAVG: 4290800 24.4804 12.8007 -8.29866 12.8007 -63.6976 24.4617 -8.29864 24.4615 -3.94042 GPRESSAVG: 4290800 25.938 14.0559 -10.3554 15.1453 -63.8481 28.0741 -6.8067 25.027 -4.57418 TIMING: 4290800 CPU: 12422.6, 0.00286252/step Wall: 12422.6, 0.00286252/step, 0.563917 hours remaining, 212.093750 MB of memory in use. ENERGY: 4290800 733.6490 2118.3250 1983.7665 111.0275 -206535.3723 17922.7768 0.0000 0.0000 34271.2079 -149394.6196 299.2990 -183665.8275 -149299.1161 299.2570 63.6289 100.3085 558133.9514 -14.3859 -14.1614 PRESSURE: 4291000 -33.0608 -38.3278 184.75 -38.3293 72.395 29.997 184.75 29.9981 -124.126 GPRESSURE: 4291000 20.0982 -104.419 178.719 43.027 64.5203 37.074 81.0626 31.1723 -68.3622 PRESSAVG: 4291000 3.84853 -17.4721 7.12749 -17.472 -3.5278 -35.5792 7.12752 -35.5791 -47.5223 GPRESSAVG: 4291000 3.39527 -18.3235 8.54932 -18.4803 -2.8603 -38.2146 5.60824 -35.4798 -47.3988 TIMING: 4291000 CPU: 12423.2, 0.00286181/step Wall: 12423.2, 0.00286181/step, 0.563618 hours remaining, 212.093750 MB of memory in use. ENERGY: 4291000 711.1857 2118.3553 1954.7272 116.8674 -206044.1967 17627.7985 0.0000 0.0000 34025.7691 -149489.4935 297.1555 -183515.2626 -149392.1202 298.5137 -28.2639 5.4187 558503.8152 -15.7338 -15.6213 PRESSURE: 4291200 142.562 121.321 47.4617 121.322 -34.9842 153.585 47.4617 153.584 -13.1432 GPRESSURE: 4291200 153.267 119.845 68.8029 146.251 41.0511 80.998 14.1555 170.81 5.14283 PRESSAVG: 4291200 34.2835 7.18104 -13.7939 7.18104 42.7132 12.4102 -13.7939 12.4102 -46.5083 GPRESSAVG: 4291200 34.6478 6.00693 -12.7969 7.33536 42.1592 15.4105 -12.0334 12.1899 -45.9598 TIMING: 4291200 CPU: 12423.8, 0.00286875/step Wall: 12423.8, 0.00286875/step, 0.564824 hours remaining, 212.093750 MB of memory in use. ENERGY: 4291200 766.7145 2069.3631 1941.6983 123.9199 -206355.6809 17944.3477 0.0000 0.0000 34037.4746 -149472.1629 297.2577 -183509.6375 -149382.7069 297.7393 31.4781 66.4869 558231.6105 10.1628 10.2824 PRESSURE: 4291400 48.7404 29.9436 15.6717 29.9429 254.347 105.799 15.6724 105.8 136.83 GPRESSURE: 4291400 107.152 100.618 12.438 -20.4869 269.403 60.3906 -7.93028 141.504 168.279 PRESSAVG: 4291400 -58.3773 21.1106 -35.3433 21.1106 41.7155 31.8573 -35.3434 31.8574 12.1299 GPRESSAVG: 4291400 -57.9027 23.6507 -36.9992 20.5204 40.557 32.0323 -36.6014 30.6514 12.8996 TIMING: 4291400 CPU: 12424.3, 0.00286225/step Wall: 12424.3, 0.00286225/step, 0.563387 hours remaining, 212.093750 MB of memory in use. ENERGY: 4291400 727.6767 2025.5179 1953.8029 99.6529 -206773.3561 18158.1282 0.0000 0.0000 34408.0258 -149400.5518 300.4938 -183808.5776 -149312.7110 298.5701 146.6393 181.6113 557285.1218 -1.5106 -1.4820 PRESSURE: 4291600 185.012 22.1564 -138.186 22.1566 -300.201 -64.4132 -138.187 -64.4118 -5.41481 GPRESSURE: 4291600 213.87 21.8142 -129.847 -10.1289 -310.569 4.52488 -149.09 -78.8937 66.4583 PRESSAVG: 4291600 22.0457 32.3284 -21.4743 32.3284 31.1109 -14.5233 -21.4743 -14.5234 13.7432 GPRESSAVG: 4291600 20.082 29.1813 -20.3181 34.327 33.3074 -14.2998 -22.1535 -14.4999 13.3217 TIMING: 4291600 CPU: 12424.9, 0.00289568/step Wall: 12424.9, 0.00289568/step, 0.569805 hours remaining, 212.093750 MB of memory in use. ENERGY: 4291600 796.6629 2141.7330 1932.4784 101.7473 -206471.6846 17771.4362 0.0000 0.0000 34221.7384 -149505.8884 298.8670 -183727.6268 -149409.5572 298.5012 -40.2012 -10.0803 556776.8940 22.2999 22.2371 PRESSURE: 4291800 85.8503 -13.209 -21.0569 -13.2095 -13.7146 -112.716 -21.0585 -112.715 -177.549 GPRESSURE: 4291800 77.3 -16.8269 -3.8678 -39.0644 -22.5576 -152.203 -11.952 -103.094 -75.939 PRESSAVG: 4291800 -7.8044 -38.4042 -42.0889 -38.4042 17.4143 -22.9893 -42.0889 -22.9894 33.1677 GPRESSAVG: 4291800 -5.90457 -36.4333 -42.5463 -41.3123 14.8877 -25.529 -41.6168 -20.9674 33.4798 TIMING: 4291800 CPU: 12425.5, 0.00286827/step Wall: 12425.5, 0.00286827/step, 0.564253 hours remaining, 212.093750 MB of memory in use. ENERGY: 4291800 743.3243 2141.7745 1969.2453 119.9615 -206295.6525 17771.1978 0.0000 0.0000 34355.1516 -149194.9974 300.0321 -183550.1490 -149096.4310 298.6963 -35.1379 -7.0655 557685.4091 14.2592 14.1543 PRESSURE: 4292000 -18.2003 -57.2505 175.803 -57.2527 17.7146 18.5737 175.802 18.575 168.092 GPRESSURE: 4292000 -27.3484 -105.055 192.752 -41.9432 47.1618 152.935 118.054 -89.6743 249.637 PRESSAVG: 4292000 -35.6837 -5.87391 -35.5527 -5.87382 14.9006 -28.6445 -35.5526 -28.6445 -6.54498 GPRESSAVG: 4292000 -36.4306 -6.35896 -36.9113 -5.43948 14.7323 -26.6775 -34.1788 -30.1708 -5.3405 TIMING: 4292000 CPU: 12426.1, 0.00288029/step Wall: 12426.1, 0.00288029/step, 0.566456 hours remaining, 212.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4292000 746.2012 2038.6043 1960.6548 106.4057 -206039.9557 17896.3380 0.0000 0.0000 34332.2183 -148959.5334 299.8318 -183291.7517 -148853.8025 300.0156 55.8688 89.8170 558410.0651 -9.1094 -9.0129 PRESSURE: 4292200 -35.1473 -124.889 -29.7057 -124.889 256.359 -43.596 -29.7048 -43.596 190.436 GPRESSURE: 4292200 -8.60246 -221.728 29.3265 45.1749 279.026 -8.54838 -4.58972 -145.845 220.702 PRESSAVG: 4292200 -12.9184 -24.217 9.56268 -24.2169 -39.2134 2.12087 9.56256 2.12079 56.4049 GPRESSAVG: 4292200 -12.105 -23.6339 9.8917 -22.6367 -38.2128 1.96656 9.12959 2.54891 54.8679 TIMING: 4292200 CPU: 12426.6, 0.00287716/step Wall: 12426.6, 0.00287716/step, 0.565681 hours remaining, 212.093750 MB of memory in use. ENERGY: 4292200 768.7824 2133.6238 1942.9237 108.9800 -206368.0784 17991.0176 0.0000 0.0000 34569.8081 -148852.9429 301.9067 -183422.7510 -148751.7205 300.3497 137.2159 163.7087 556948.9150 1.4244 1.5167 LDB: ============= START OF LOAD BALANCING ============== 12430 LDB: ============== END OF LOAD BALANCING =============== 12430 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12430 LDB: ============= START OF LOAD BALANCING ============== 12430.3 LDB: Largest compute 4773 load 0.025581 is 21.7% of average load 0.118021 LDB: Average compute 0.001729 is 1.5% of average load 0.118021 LDB: TIME 12430.3 LOAD: AVG 0.118021 MAX 0.180366 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.152 MB LDB: TIME 12430.3 LOAD: AVG 0.118021 MAX 0.180366 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.152 MB LDB: TIME 12430.3 LOAD: AVG 0.118021 MAX 0.180366 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12430.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12430.3 PRESSURE: 4292400 -314.097 109.355 89.4927 109.355 159.047 -136.979 89.4927 -136.978 -23.2806 GPRESSURE: 4292400 -276.258 87.3307 78.4272 106.711 212.191 -266.089 112.411 -102.843 -5.92666 PRESSAVG: 4292400 -32.3591 25.738 -5.20687 25.738 54.8166 -21.2477 -5.2069 -21.2477 -51.0565 GPRESSAVG: 4292400 -32.939 27.3736 -5.49341 24.3479 54.9569 -22.8194 -4.5587 -22.0886 -50.5639 TIMING: 4292400 CPU: 12427.2, 0.00294604/step Wall: 12427.2, 0.00294604/step, 0.57906 hours remaining, 210.414062 MB of memory in use. ENERGY: 4292400 759.0114 2054.9203 1964.9798 118.1230 -206080.8211 17786.6043 0.0000 0.0000 34524.2894 -148872.8929 301.5092 -183397.1823 -148776.8903 300.4425 -59.4434 -23.3312 559199.2100 -9.5330 -9.5153 PRESSURE: 4292600 -272.002 -77.9615 53.0288 -77.9603 37.8322 -64.201 53.0297 -64.202 -29.3473 GPRESSURE: 4292600 -231.717 -15.2455 7.46863 -20.7336 79.0197 -64.1053 67.9979 -67.3399 -16.5321 PRESSAVG: 4292600 -50.1005 24.5492 2.71656 24.5493 30.6809 -47.8069 2.71652 -47.8069 -20.9981 GPRESSAVG: 4292600 -48.4047 20.2629 1.74272 26.2025 30.8258 -47.0446 1.8311 -46.1453 -22.5711 TIMING: 4292600 CPU: 12427.8, 0.00289781/step Wall: 12427.8, 0.00289781/step, 0.56942 hours remaining, 210.554688 MB of memory in use. ENERGY: 4292600 763.7949 2060.0913 1957.7964 116.8444 -206306.2722 17932.9198 0.0000 0.0000 34418.5047 -149056.3207 300.5854 -183474.8254 -148968.6366 299.6813 -87.8390 -56.4099 558283.6961 -13.4726 -13.3833 PRESSURE: 4292800 -194.835 37.9135 -23.1369 37.9132 -269.327 95.954 -23.1387 95.9529 -143.26 GPRESSURE: 4292800 -124.394 30.6617 -13.8161 -1.06813 -249.005 69.8738 -74.502 86.529 -138.817 PRESSAVG: 4292800 19.5815 23.334 -26.7776 23.3341 26.0981 -6.22498 -26.7777 -6.22497 -28.8757 GPRESSAVG: 4292800 18.7564 24.8752 -24.8369 23.1408 25.3335 -5.7403 -28.9074 -7.413 -28.1224 TIMING: 4292800 CPU: 12428.4, 0.00290027/step Wall: 12428.4, 0.00290027/step, 0.569742 hours remaining, 210.554688 MB of memory in use. ENERGY: 4292800 770.8811 2107.7910 1937.7893 118.4860 -206133.3115 17688.1608 0.0000 0.0000 34494.6690 -149015.5342 301.2505 -183510.2032 -148916.8699 300.4711 -202.4739 -170.7388 558243.3165 5.6013 5.3225 PRESSURE: 4293000 -39.635 -88.0799 -74.2085 -88.0808 -13.696 -127.373 -74.208 -127.373 -103.336 GPRESSURE: 4293000 -95.0834 -46.142 -46.1255 -149.709 44.8687 -130.934 -85.4194 -57.1897 -13.0677 PRESSAVG: 4293000 -3.08451 23.5087 -65.0869 23.5088 22.1029 -27.0894 -65.087 -27.0893 32.404 GPRESSAVG: 4293000 -4.06642 24.6069 -65.6042 22.7614 21.7935 -28.528 -64.6167 -25.8927 33.4883 TIMING: 4293000 CPU: 12429, 0.00290433/step Wall: 12429, 0.00290433/step, 0.570378 hours remaining, 210.554688 MB of memory in use. ENERGY: 4293000 771.3139 2081.5101 1948.5279 105.5622 -206015.6721 17801.1171 0.0000 0.0000 34213.7336 -149093.9073 298.7970 -183307.6409 -149003.4493 300.6249 -52.2223 -21.0942 557415.7418 17.1408 17.0718 PRESSURE: 4293200 -112.34 -95.5336 -155.549 -95.5334 188.829 -24.3757 -155.549 -24.3774 -120.756 GPRESSURE: 4293200 -110.218 -88.0436 -191.245 -37.3542 198.05 53.6367 -193.655 -101.167 -50.8838 PRESSAVG: 4293200 -56.7471 7.2771 -17.1119 7.27702 48.9329 -72.8104 -17.1118 -72.8104 54.7232 GPRESSAVG: 4293200 -57.0387 7.71222 -18.9385 7.05109 48.6466 -71.9196 -15.7619 -74.9227 54.6566 TIMING: 4293200 CPU: 12429.5, 0.00288668/step Wall: 12429.5, 0.00288668/step, 0.566752 hours remaining, 210.554688 MB of memory in use. ENERGY: 4293200 744.2865 2124.3898 1952.0359 118.2474 -206257.0515 17617.2694 0.0000 0.0000 34520.6802 -149180.1424 301.4777 -183700.8226 -149081.8567 299.5898 -14.7557 12.3159 555340.2234 15.6363 15.4215 PRESSURE: 4293400 -83.1017 -106.093 46.0874 -106.092 -94.2934 -108.038 46.087 -108.038 -30.2349 GPRESSURE: 4293400 -61.4355 -156.3 -28.4576 -82.0472 -8.11046 -193.411 -3.32452 -71.2005 -39.537 PRESSAVG: 4293400 11.1017 -32.9433 17.4204 -32.9434 17.3183 -3.49429 17.4204 -3.49424 -12.4241 GPRESSAVG: 4293400 11.5267 -33.7451 18.7004 -34.0352 18.47 -4.15793 17.5975 0.0615243 -13.8464 TIMING: 4293400 CPU: 12430.1, 0.00289416/step Wall: 12430.1, 0.00289416/step, 0.568058 hours remaining, 210.554688 MB of memory in use. ENERGY: 4293400 761.2927 2104.9552 1945.4152 117.1268 -205931.3054 17585.5259 0.0000 0.0000 34218.9741 -149198.0155 298.8428 -183416.9896 -149104.2239 300.4192 -69.2100 -36.3610 555934.0663 5.3320 5.3834 PRESSURE: 4293600 163.463 148.524 -32.2046 148.525 -43.6711 17.8103 -32.2054 17.8084 89.9604 GPRESSURE: 4293600 179.445 193.065 4.12273 60.3123 -3.67198 -79.0063 -22.8571 46.8939 119.01 PRESSAVG: 4293600 39.0707 -61.4907 -13.4062 -61.4907 -75.6136 14.3794 -13.4062 14.3795 27.1316 GPRESSAVG: 4293600 39.1796 -61.3268 -11.7826 -61.2012 -76.1552 14.0925 -14.1005 12.2492 27.4522 TIMING: 4293600 CPU: 12430.7, 0.00288963/step Wall: 12430.7, 0.00288963/step, 0.567009 hours remaining, 210.554688 MB of memory in use. ENERGY: 4293600 775.0891 2090.1967 1958.6350 118.8635 -206414.0297 17963.1098 0.0000 0.0000 34262.4448 -149245.6906 299.2225 -183508.1355 -149143.4456 299.3900 69.9174 98.2609 556984.8015 -3.1371 -3.1745 PRESSURE: 4293800 -14.1665 59.0234 52.5946 59.0254 95.1558 -1.87148 52.5958 -1.8711 -284.192 GPRESSURE: 4293800 12.7054 127.576 35.7042 48.9998 65.7146 -11.6677 17.4507 33.7652 -198.615 PRESSAVG: 4293800 50.201 6.40437 -25.4278 6.40442 -28.8954 -41.7286 -25.4279 -41.7286 -14.3554 GPRESSAVG: 4293800 49.9438 6.62891 -27.4883 7.17671 -28.4993 -41.879 -24.3278 -41.0566 -14.6265 TIMING: 4293800 CPU: 12431.3, 0.00287561/step Wall: 12431.3, 0.00287561/step, 0.564099 hours remaining, 210.554688 MB of memory in use. ENERGY: 4293800 751.9565 2080.3853 1959.9247 119.3799 -206002.5923 17589.6756 0.0000 0.0000 34116.3940 -149384.8764 297.9470 -183501.2703 -149287.7808 298.9055 -67.7344 -40.0649 558844.0190 2.3167 2.2727 PRESSURE: 4294000 -59.8482 -57.4509 21.6761 -57.4504 -99.9884 -2.90682 21.6756 -2.90729 -25.4498 GPRESSURE: 4294000 -61.5139 -112.505 23.4678 -0.707116 -99.8683 -7.66722 83.3635 -18.2028 67.3605 PRESSAVG: 4294000 -1.18025 -56.9571 -17.9579 -56.9571 -15.0831 -0.346519 -17.9578 -0.346355 -10.0697 GPRESSAVG: 4294000 -1.16758 -57.8599 -18.5245 -56.0742 -15.6796 0.813037 -19.5585 -0.547993 -10.5077 TIMING: 4294000 CPU: 12431.8, 0.00288693/step Wall: 12431.8, 0.00288693/step, 0.56616 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4294000 712.2182 2105.4039 1967.9750 109.7173 -206398.5461 17764.6425 0.0000 0.0000 34399.4192 -149339.1699 300.4187 -183738.5891 -149247.6136 298.4890 -61.7621 -31.3406 558855.4230 -8.7777 -9.1183 PRESSURE: 4294200 6.18054 -168.841 -47.5972 -168.841 58.9723 -176.894 -47.5985 -176.895 95.6352 GPRESSURE: 4294200 33.9025 -120.159 -116.78 -161.618 64.3143 -141.336 -79.4126 -237.791 159.449 PRESSAVG: 4294200 -54.8861 -10.7917 -5.72899 -10.7916 29.1927 -29.0309 -5.72903 -29.0308 34.8784 GPRESSAVG: 4294200 -55.21 -9.87323 -4.83397 -12.568 28.193 -27.9401 -6.32559 -28.776 35.7451 TIMING: 4294200 CPU: 12432.4, 0.00285818/step Wall: 12432.4, 0.00285818/step, 0.560362 hours remaining, 210.554688 MB of memory in use. ENERGY: 4294200 720.1309 2152.8810 1976.2604 121.1418 -206222.1613 17963.8267 0.0000 0.0000 34212.9115 -149075.0090 298.7899 -183287.9205 -148985.3282 298.6646 53.5960 85.8886 560381.0776 3.0617 2.9094 PRESSURE: 4294400 -173.045 -226.275 165.163 -226.275 100.762 92.6474 165.163 92.6486 -191.135 GPRESSURE: 4294400 -154.469 -210.014 174.879 -254.591 145.769 61.0148 141.803 132.504 -165.016 PRESSAVG: 4294400 -41.951 -27.0329 8.90834 -27.0328 47.1032 30.7905 8.90837 30.7905 14.5976 GPRESSAVG: 4294400 -41.8225 -26.1472 8.0586 -26.6084 47.6265 29.4774 9.3113 30.9581 13.7158 TIMING: 4294400 CPU: 12433, 0.0028851/step Wall: 12433, 0.0028851/step, 0.565479 hours remaining, 210.554688 MB of memory in use. ENERGY: 4294400 723.2767 2209.3430 1937.5227 117.4051 -206036.3344 17657.3645 0.0000 0.0000 34264.2493 -149127.1731 299.2382 -183391.4224 -149028.7686 299.8738 -87.8061 -57.9055 558260.2090 6.5833 6.5066 PRESSURE: 4294600 -85.1758 -32.2651 153.689 -32.266 -160.394 105.284 153.69 105.286 57.1782 GPRESSURE: 4294600 31.277 15.5803 118.133 -9.81729 -152.412 150.462 224.269 127.603 24.3849 PRESSAVG: 4294600 32.4796 -19.8277 -9.19495 -19.8277 1.75509 -29.3504 -9.19497 -29.3504 -61.734 GPRESSAVG: 4294600 32.6519 -21.1942 -6.93061 -20.9689 1.01032 -29.3263 -9.25689 -30.6887 -61.1887 TIMING: 4294600 CPU: 12433.6, 0.00288671/step Wall: 12433.6, 0.00288671/step, 0.565635 hours remaining, 210.554688 MB of memory in use. ENERGY: 4294600 749.0920 2066.2957 1921.6198 103.6739 -205818.2790 17706.3399 0.0000 0.0000 34232.6641 -149038.5935 298.9624 -183271.2576 -148937.3918 299.2407 -62.7973 -32.2501 559547.4130 -9.1664 -9.1755 PRESSURE: 4294800 -269.077 145.682 152.52 145.682 -75.6739 -0.364666 152.521 -0.365631 107.476 GPRESSURE: 4294800 -214.221 94.2802 83.761 199.515 -53.2781 31.3923 103.306 -28.1864 126.576 PRESSAVG: 4294800 -10.4593 -5.21462 -1.25625 -5.21462 44.5699 16.3849 -1.25634 16.3849 -58.7536 GPRESSAVG: 4294800 -10.4227 -4.0632 -2.12926 -4.2631 45.3047 16.8512 -0.90179 15.1657 -59.4496 TIMING: 4294800 CPU: 12434.2, 0.0028805/step Wall: 12434.2, 0.0028805/step, 0.564259 hours remaining, 210.554688 MB of memory in use. ENERGY: 4294800 743.4453 2184.4420 1930.1001 108.4239 -205761.5033 17566.6126 0.0000 0.0000 34295.7742 -148932.7053 299.5135 -183228.4795 -148836.0933 299.3732 -79.0919 -46.9744 557630.1518 -8.2143 -8.1892 PRESSURE: 4295000 -9.41169 -24.532 -62.7649 -24.5327 305.247 -2.32637 -62.765 -2.32636 101.029 GPRESSURE: 4295000 4.9926 15.1816 6.37405 -98.1031 373.818 91.5155 -134.997 -82.0906 115.313 PRESSAVG: 4295000 -30.6936 -30.0566 -4.45993 -30.0566 29.9831 46.1618 -4.45992 46.1619 -37.5303 GPRESSAVG: 4295000 -32.0511 -31.4037 -5.67004 -28.618 30.8423 46.1025 -3.82022 46.189 -37.6612 TIMING: 4295000 CPU: 12434.7, 0.00290737/step Wall: 12434.7, 0.00290737/step, 0.569359 hours remaining, 210.554688 MB of memory in use. ENERGY: 4295000 684.8726 2109.9616 1950.5608 120.5625 -206292.7313 18027.3166 0.0000 0.0000 34336.7168 -149062.7403 299.8711 -183399.4571 -148970.8710 300.2119 132.2881 164.7080 558590.8475 -12.7469 -12.9567 PRESSURE: 4295200 -92.3064 -7.55164 -37.2131 -7.5513 16.2878 -115.519 -37.2128 -115.519 -112.613 GPRESSURE: 4295200 -20.2152 16.4651 6.56698 -19.0991 4.99839 -60.7781 -52.7729 -197.959 -80.5089 PRESSAVG: 4295200 -39.3008 16.0827 -31.8194 16.0828 61.8023 -16.1379 -31.8194 -16.1381 -6.73665 GPRESSAVG: 4295200 -40.0784 14.7099 -32.1995 15.0833 61.7165 -15.2428 -32.003 -15.0141 -5.67234 TIMING: 4295200 CPU: 12435.3, 0.00289964/step Wall: 12435.3, 0.00289964/step, 0.567684 hours remaining, 210.554688 MB of memory in use. ENERGY: 4295200 746.2874 2106.4502 1960.7908 114.7925 -206388.8843 17807.3649 0.0000 0.0000 34338.9644 -149314.2343 299.8907 -183653.1986 -149215.7827 299.5372 -62.8773 -31.9086 557961.9169 5.2550 5.3219 PRESSURE: 4295400 -329.921 -26.7349 124.531 -26.7356 -280.806 86.6331 124.532 86.6331 -209.995 GPRESSURE: 4295400 -310.808 13.4496 73.4017 -81.1652 -269.253 47.4919 115.165 129.563 -163.139 PRESSAVG: 4295400 -45.1043 24.7121 -6.9347 24.7122 54.7171 -1.40034 -6.9347 -1.40045 54.8421 GPRESSAVG: 4295400 -43.6362 25.2948 -5.10407 25.9775 53.4454 -3.48498 -6.71664 -1.30789 54.9533 TIMING: 4295400 CPU: 12435.9, 0.00289359/step Wall: 12435.9, 0.00289359/step, 0.56634 hours remaining, 210.554688 MB of memory in use. ENERGY: 4295400 775.4591 2117.4396 1948.9124 118.3719 -206050.3117 17566.8604 0.0000 0.0000 34290.9264 -149232.3420 299.4712 -183523.2683 -149131.7443 298.7534 -273.5739 -247.7332 559398.8604 21.4850 21.5875 PRESSURE: 4295600 127.84 -142.007 -128.117 -142.008 206.823 -107.636 -128.116 -107.635 -83.1034 GPRESSURE: 4295600 141.054 -119.651 -174.079 -114.069 220.791 -14.1413 -20.3297 -116.566 -13.772 PRESSAVG: 4295600 -29.8955 -2.18392 -59.4443 -2.18388 54.1043 -18.1717 -59.4443 -18.1717 -50.014 GPRESSAVG: 4295600 -30.3684 -2.34592 -61.4304 -3.66317 54.4779 -17.3546 -58.2814 -18.5854 -50.228 TIMING: 4295600 CPU: 12436.5, 0.00289636/step Wall: 12436.5, 0.00289636/step, 0.56672 hours remaining, 210.554688 MB of memory in use. ENERGY: 4295600 717.4684 2051.1683 1936.0535 108.8899 -206157.8248 17890.9523 0.0000 0.0000 34302.4196 -149150.8727 299.5716 -183453.2923 -149057.5169 298.9132 83.8531 116.0244 558159.8157 -8.6017 -8.7062 PRESSURE: 4295800 37.2683 -58.7416 -95.2045 -58.7421 281.272 26.1887 -95.2037 26.1869 113.852 GPRESSURE: 4295800 109.544 -142.4 -33.8003 6.93389 307.49 21.5618 -148.508 -3.20514 123.87 PRESSAVG: 4295800 -70.2207 -6.92229 -17.1075 -6.92225 69.8122 3.12421 -17.1075 3.12406 -4.05251 GPRESSAVG: 4295800 -69.9978 -5.91639 -17.3488 -6.89655 68.5518 3.57329 -17.6346 3.93574 -2.67343 TIMING: 4295800 CPU: 12437, 0.00288596/step Wall: 12437, 0.00288596/step, 0.564527 hours remaining, 210.554688 MB of memory in use. ENERGY: 4295800 772.5381 2067.7325 1933.5770 113.9698 -206478.1691 18032.3383 0.0000 0.0000 34221.1799 -149336.8334 298.8621 -183558.0134 -149238.6478 298.8714 144.1308 180.3011 556955.1163 -1.4870 -1.3731 PRESSURE: 4296000 -203.843 -160.787 169.966 -160.788 -58.7013 -76.2525 169.966 -76.2522 56.1 GPRESSURE: 4296000 -132.749 -133.733 91.6787 -146.267 -43.9049 -123.865 153.931 16.7883 70.2569 PRESSAVG: 4296000 -66.6407 -84.9336 15.5547 -84.9337 23.8294 2.12999 15.5549 2.13007 44.0133 GPRESSAVG: 4296000 -65.8241 -84.8031 17.9088 -83.7606 24.7278 0.447377 14.8851 1.15854 42.6166 TIMING: 4296000 CPU: 12437.6, 0.00287497/step Wall: 12437.6, 0.00287497/step, 0.562216 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4296000 740.8272 2068.5057 1953.5900 122.9355 -206111.1618 17584.0971 0.0000 0.0000 34059.4197 -149581.7866 297.4494 -183641.2063 -149497.6872 298.3764 -68.8146 -35.4657 556392.9322 0.4007 0.5068 PRESSURE: 4296200 -98.6873 26.264 -75.3596 26.2629 80.8334 -4.02853 -75.3593 -4.02706 -72.7332 GPRESSURE: 4296200 -56.2973 -49.4716 -92.8594 41.4996 135.523 -32.7819 -114.526 -25.7145 -64.3071 PRESSAVG: 4296200 22.8344 -6.97152 -8.64069 -6.97166 -29.4825 45.2511 -8.64056 45.251 50.4782 GPRESSAVG: 4296200 21.8562 -7.53102 -10.8705 -7.01029 -28.5493 44.9584 -8.98814 46.9916 50.1456 TIMING: 4296200 CPU: 12438.2, 0.0028731/step Wall: 12438.2, 0.0028731/step, 0.561691 hours remaining, 210.554688 MB of memory in use. ENERGY: 4296200 778.6230 2077.3984 1936.1345 120.0863 -206423.1044 17845.2531 0.0000 0.0000 34128.3528 -149537.2563 298.0514 -183665.6091 -149448.8988 297.8603 -30.1957 4.9728 556418.5183 14.6100 14.4842 LDB: ============= START OF LOAD BALANCING ============== 12441.6 LDB: ============== END OF LOAD BALANCING =============== 12441.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12441.6 LDB: ============= START OF LOAD BALANCING ============== 12441.9 LDB: Largest compute 4773 load 0.026518 is 22.5% of average load 0.118046 LDB: Average compute 0.001730 is 1.5% of average load 0.118046 LDB: TIME 12441.9 LOAD: AVG 0.118046 MAX 0.178139 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.844 MB LDB: TIME 12441.9 LOAD: AVG 0.118046 MAX 0.178139 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 12441.9 LOAD: AVG 0.118046 MAX 0.178139 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: ============== END OF LOAD BALANCING =============== 12441.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12441.9 PRESSURE: 4296400 170.705 -45.9071 13.4469 -45.9061 -8.0675 -25.3714 13.4466 -25.3722 -106.658 GPRESSURE: 4296400 191.79 -50.388 29.0749 -76.0332 93.189 -32.3481 -9.63904 -59.6979 -119.201 PRESSAVG: 4296400 37.1771 -27.4643 6.31256 -27.4643 -4.34407 -18.1684 6.31261 -18.1683 -31.2237 GPRESSAVG: 4296400 36.6832 -28.6703 6.83009 -27.9184 -4.3707 -17.7654 6.31004 -18.1033 -30.8572 TIMING: 4296400 CPU: 12438.8, 0.00293361/step Wall: 12438.8, 0.00293361/step, 0.573357 hours remaining, 210.355469 MB of memory in use. ENERGY: 4296400 768.5615 2120.4009 1936.6371 125.5731 -206258.6302 17743.5570 0.0000 0.0000 34139.8350 -149424.0658 298.1517 -183563.9007 -149335.0802 298.5922 18.6598 55.2594 556486.5915 0.5364 0.4851 PRESSURE: 4296600 -143.198 -113.962 68.9264 -113.961 193.848 -26.0883 68.9265 -26.0898 -9.86521 GPRESSURE: 4296600 -85.7472 -68.8502 131.008 -116.492 166.763 35.3458 17.332 -71.8187 66.8547 PRESSAVG: 4296600 -15.3281 -31.0846 53.2182 -31.0845 74.2231 -43.2131 53.2182 -43.2133 -42.5413 GPRESSAVG: 4296600 -14.9934 -27.7902 55.2041 -32.369 74.2972 -41.5461 52.101 -44.1726 -43.2326 TIMING: 4296600 CPU: 12439.4, 0.00288963/step Wall: 12439.4, 0.00288963/step, 0.564603 hours remaining, 210.355469 MB of memory in use. ENERGY: 4296600 705.6951 2059.1675 1975.2218 112.1114 -206231.4545 17587.2861 0.0000 0.0000 34161.5399 -149630.4328 298.3412 -183791.9727 -149530.8928 298.2364 13.5951 49.2901 554943.0716 5.4512 5.3571 PRESSURE: 4296800 -134.603 28.0443 -240.516 28.0454 58.9321 -71.9264 -240.515 -71.9274 47.6943 GPRESSURE: 4296800 -54.5519 -12.6804 -134.722 -79.1424 106.897 -63.059 -295.453 -28.4351 16.5152 PRESSAVG: 4296800 -24.8523 -25.925 -26.0859 -25.925 52.7512 -10.5429 -26.086 -10.5429 1.54158 GPRESSAVG: 4296800 -24.1368 -29.7816 -28.4841 -25.7743 51.067 -11.0348 -25.177 -12.2288 1.84543 TIMING: 4296800 CPU: 12439.9, 0.00291914/step Wall: 12439.9, 0.00291914/step, 0.570206 hours remaining, 210.355469 MB of memory in use. ENERGY: 4296800 737.4560 2116.5792 1956.6627 116.2260 -206332.8834 17733.2537 0.0000 0.0000 34084.1910 -149588.5148 297.6657 -183672.7058 -149493.5201 298.4472 -9.3255 22.9535 555726.3057 9.8135 9.5919 PRESSURE: 4297000 -89.2724 -18.1785 5.4527 -18.1788 210.011 -102.426 5.45384 -102.427 -77.0193 GPRESSURE: 4297000 -89.8253 -31.3803 -41.4128 1.32718 311.899 -134.443 38.282 -111.506 -78.4957 PRESSAVG: 4297000 21.7505 -36.2904 -28.9661 -36.2905 31.2644 -98.7486 -28.966 -98.7486 -53.6653 GPRESSAVG: 4297000 20.9888 -34.5833 -27.8539 -36.2718 31.9531 -98.2335 -29.2782 -99.0041 -53.9131 TIMING: 4297000 CPU: 12440.5, 0.00289235/step Wall: 12440.5, 0.00289235/step, 0.564812 hours remaining, 210.355469 MB of memory in use. ENERGY: 4297000 710.1396 2138.2769 1970.2985 118.4589 -206353.7170 17788.8155 0.0000 0.0000 34151.7814 -149475.9461 298.2560 -183627.7276 -149385.7935 298.0545 14.5731 47.8593 556821.0020 -0.2168 -0.3237 PRESSURE: 4297200 -140.763 -102.848 35.132 -102.848 -85.6733 81.5289 35.1313 81.5296 -101.726 GPRESSURE: 4297200 -71.9846 -50.9274 77.9571 -90.6122 -96.4622 48.5606 13.4587 140.005 -52.613 PRESSAVG: 4297200 -45.0782 -13.4198 -31.9979 -13.4197 24.9009 -24.2627 -31.998 -24.2626 -37.6513 GPRESSAVG: 4297200 -44.7385 -13.6176 -32.7432 -12.7247 24.6553 -22.9814 -30.9691 -24.5704 -37.5722 TIMING: 4297200 CPU: 12441.1, 0.00288391/step Wall: 12441.1, 0.00288391/step, 0.563002 hours remaining, 210.355469 MB of memory in use. ENERGY: 4297200 752.2910 2044.0015 1942.1108 115.2087 -206279.5395 17792.2078 0.0000 0.0000 34136.2089 -149497.5109 298.1200 -183633.7198 -149404.1855 298.6220 -109.3875 -73.6866 557462.7522 -19.2762 -19.2184 PRESSURE: 4297400 -14.1644 -16.0105 -71.3959 -16.0107 200.055 -70.1484 -71.3959 -70.1488 -243.622 GPRESSURE: 4297400 -10.0162 -59.8057 -38.5343 71.3496 221.788 -60.1249 -42.8435 -126.609 -172.853 PRESSAVG: 4297400 29.7189 -44.6284 -0.126788 -44.6283 126.905 17.1299 -0.126891 17.1299 -126.118 GPRESSAVG: 4297400 29.7299 -43.4683 -0.631967 -46.4997 126.47 15.3353 -1.2796 18.0004 -125.954 TIMING: 4297400 CPU: 12441.7, 0.00287497/step Wall: 12441.7, 0.00287497/step, 0.561099 hours remaining, 210.355469 MB of memory in use. ENERGY: 4297400 730.4077 2101.1672 1932.0814 116.6477 -206437.5214 17923.1184 0.0000 0.0000 34331.2762 -149302.8228 299.8236 -183634.0991 -149198.7809 298.7323 -19.2438 12.9730 556194.9994 10.1686 10.0821 PRESSURE: 4297600 159.528 -129.949 203.611 -129.949 133.312 59.6849 203.611 59.6854 107.048 GPRESSURE: 4297600 228.889 -54.6381 204.576 -103.064 138.726 -49.0799 77.145 94.3353 142.703 PRESSAVG: 4297600 42.2624 -55.0344 53.1305 -55.0344 -8.5242 -23.1555 53.1304 -23.1555 12.5901 GPRESSAVG: 4297600 43.8825 -55.638 52.4908 -54.1197 -8.98133 -23.4539 53.0669 -22.2814 11.366 TIMING: 4297600 CPU: 12442.2, 0.00286444/step Wall: 12442.2, 0.00286444/step, 0.558884 hours remaining, 210.355469 MB of memory in use. ENERGY: 4297600 746.0552 2071.7722 1935.3664 133.2112 -206616.4463 18088.2286 0.0000 0.0000 34375.6441 -149266.1687 300.2110 -183641.8128 -149170.9217 298.6789 133.2959 170.1057 555705.8675 15.4428 15.4224 PRESSURE: 4297800 -171.669 -189.066 205.651 -189.067 121.571 10.4175 205.651 10.4163 12.9801 GPRESSURE: 4297800 -74.72 -62.2665 197.347 -218.949 120.553 58.612 227.584 -51.5787 16.9835 PRESSAVG: 4297800 -68.1363 -32.5521 42.9901 -32.5521 46.6127 55.8362 42.9901 55.8363 -4.94433 GPRESSAVG: 4297800 -68.6055 -33.009 42.9724 -28.7653 46.5463 56.523 43.8375 53.7627 -4.06228 TIMING: 4297800 CPU: 12442.8, 0.00286275/step Wall: 12442.8, 0.00286275/step, 0.558395 hours remaining, 210.355469 MB of memory in use. ENERGY: 4297800 753.4122 2034.6845 1935.3297 110.7285 -206161.2359 17823.3830 0.0000 0.0000 34231.5684 -149272.1297 298.9528 -183503.6981 -149174.3055 299.0050 -12.3728 20.9388 557338.9386 -8.8226 -8.7072 PRESSURE: 4298000 97.7833 176.941 140.731 176.941 -209.855 -48.2165 140.732 -48.2155 23.3113 GPRESSURE: 4298000 49.0742 293.693 138.77 14.2635 -90.1558 -54.7879 124.724 18.7942 48.4986 PRESSAVG: 4298000 -2.77256 -0.0731205 -2.20846 -0.0730381 -22.9395 29.4862 -2.20851 29.4863 2.67013 GPRESSAVG: 4298000 -3.45844 0.251764 -1.52612 -2.23843 -21.4326 29.1864 -3.18745 32.4104 1.79576 TIMING: 4298000 CPU: 12443.4, 0.00288156/step Wall: 12443.4, 0.00288156/step, 0.561905 hours remaining, 210.355469 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: 4298000 718.1134 2110.8666 1924.7228 128.5770 -206127.3161 17713.8780 0.0000 0.0000 34417.6067 -149113.5517 300.5775 -183531.1583 -149012.4222 299.1819 -29.5869 2.4723 556931.1071 -7.6806 -7.6984 PRESSURE: 4298200 -86.2489 -60.2866 -10.4594 -60.286 28.2541 0.112796 -10.4588 0.111466 19.2683 GPRESSURE: 4298200 -51.7918 -88.0794 9.83694 8.86014 24.7024 42.9892 -67.3132 -6.45624 80.8841 PRESSAVG: 4298200 96.3671 3.10124 -10.4897 3.10133 -55.9928 -15.837 -10.4898 -15.8368 -9.59295 GPRESSAVG: 4298200 95.5422 0.678752 -8.65573 3.24008 -56.914 -15.9756 -10.4672 -17.7428 -7.94942 TIMING: 4298200 CPU: 12444, 0.00290672/step Wall: 12444, 0.00290672/step, 0.56665 hours remaining, 210.355469 MB of memory in use. ENERGY: 4298200 736.9245 2077.0107 1927.1130 106.3866 -206114.8281 17750.3854 0.0000 0.0000 34307.0811 -149209.9268 299.6123 -183517.0079 -149107.4231 299.5081 -12.9089 17.9316 557228.3033 10.2604 10.2262 PRESSURE: 4298400 -312.597 -17.5082 -224.157 -17.5074 74.9464 -59.7935 -224.157 -59.7926 -37.5938 GPRESSURE: 4298400 -236.987 25.898 -218.889 -37.3078 52.583 -23.8803 -213.21 -34.9269 0.278663 PRESSAVG: 4298400 23.7865 45.4816 -24.4816 45.4815 50.9981 31.4117 -24.4817 31.4119 -78.8968 GPRESSAVG: 4298400 25.0547 47.3213 -27.5621 43.6705 49.9983 31.4346 -23.3692 31.2362 -79.2974 TIMING: 4298400 CPU: 12444.6, 0.00291381/step Wall: 12444.6, 0.00291381/step, 0.567869 hours remaining, 210.355469 MB of memory in use. ENERGY: 4298400 766.9912 2106.2896 1906.7917 118.5307 -206260.8908 17816.4359 0.0000 0.0000 34381.7247 -149164.1269 300.2642 -183545.8515 -149069.9919 299.7862 -91.7481 -61.3751 556734.8544 -1.3707 -1.4148 PRESSURE: 4298600 -235.552 -66.0961 100.646 -66.0968 -221.125 89.7169 100.647 89.7177 -153.255 GPRESSURE: 4298600 -230.849 -91.8276 156.449 -32.7159 -160.079 160.876 140.175 103.469 -135.943 PRESSAVG: 4298600 29.1149 16.7121 -25.1794 16.712 67.0469 16.0174 -25.1794 16.0174 -47.3124 GPRESSAVG: 4298600 27.7451 15.6334 -23.0574 17.4774 67.7967 16.9453 -25.851 17.4422 -46.757 TIMING: 4298600 CPU: 12445.1, 0.00288931/step Wall: 12445.1, 0.00288931/step, 0.562934 hours remaining, 210.355469 MB of memory in use. ENERGY: 4298600 748.7815 2156.1049 1980.4309 110.4143 -205986.6776 17485.9914 0.0000 0.0000 34315.6871 -149189.2675 299.6874 -183504.9546 -149092.7964 299.6634 -203.3107 -175.6238 556699.1248 16.2831 16.2616 PRESSURE: 4298800 86.3019 -16.141 12.2757 -16.1397 49.1027 -3.19005 12.2757 -3.18779 32.0818 GPRESSURE: 4298800 140.494 -34.162 -8.14088 -50.708 61.1961 73.6959 5.28776 -26.1631 60.6763 PRESSAVG: 4298800 -37.6399 -59.5122 26.4868 -59.5123 -15.6431 58.8083 26.4868 58.8083 -1.38174 GPRESSAVG: 4298800 -37.7994 -59.8616 26.2651 -61.5963 -14.6922 57.4885 26.7854 56.1774 -2.11965 TIMING: 4298800 CPU: 12445.7, 0.0028663/step Wall: 12445.7, 0.0028663/step, 0.558291 hours remaining, 210.355469 MB of memory in use. ENERGY: 4298800 736.3866 2093.2615 1980.7380 122.0817 -206425.9590 18000.2137 0.0000 0.0000 34197.7541 -149295.5234 298.6575 -183493.2775 -149195.1891 299.1068 55.8288 87.4556 556843.3302 -18.2216 -18.2038 PRESSURE: 4299000 -59.0508 -65.8067 120.185 -65.8071 -92.1663 106.715 120.185 106.716 -16.0787 GPRESSURE: 4299000 -69.0401 -10.5582 180.364 -126.036 -28.2523 37.9025 21.4011 137.454 24.4357 PRESSAVG: 4299000 77.2823 -77.3594 25.361 -77.3594 -18.9841 3.11882 25.361 3.11871 -30.6333 GPRESSAVG: 4299000 77.3789 -76.6136 24.899 -76.0942 -19.0928 4.71595 26.4728 2.07969 -30.4967 TIMING: 4299000 CPU: 12446.3, 0.00286687/step Wall: 12446.3, 0.00286687/step, 0.558243 hours remaining, 210.355469 MB of memory in use. ENERGY: 4299000 785.9711 2119.6776 1947.6802 105.0254 -206267.4718 17820.6714 0.0000 0.0000 34348.1238 -149140.3224 299.9707 -183488.4462 -149045.5860 299.5351 -55.7653 -24.2855 557896.4154 9.2216 9.2631 PRESSURE: 4299200 -17.6851 -196.09 -80.8373 -196.091 55.985 132.934 -80.8375 132.935 15.3336 GPRESSURE: 4299200 -3.08172 -173.937 -95.3409 -246.395 85.9733 169.911 -166.687 76.6104 53.197 PRESSAVG: 4299200 7.30715 -44.6168 33.4397 -44.6168 -14.9302 14.8047 33.4397 14.8048 5.54128 GPRESSAVG: 4299200 6.77556 -44.8103 32.5295 -43.0279 -15.4711 13.734 32.5572 15.4267 6.6818 TIMING: 4299200 CPU: 12446.9, 0.00285163/step Wall: 12446.9, 0.00285163/step, 0.555117 hours remaining, 210.355469 MB of memory in use. ENERGY: 4299200 750.7243 2087.4206 1945.1775 100.9532 -206045.8755 17779.3676 0.0000 0.0000 34318.2575 -149063.9748 299.7099 -183382.2323 -148973.0786 299.7399 17.8778 45.3628 557373.1023 -0.6939 -0.6713 PRESSURE: 4299400 -236.443 -72.0402 12.2573 -72.0404 33.3946 63.1893 12.2583 63.1901 -382.621 GPRESSURE: 4299400 -200.049 -86.425 -17.2423 -25.1647 39.732 91.949 79.4905 88.8748 -328.82 PRESSAVG: 4299400 12.4559 4.74069 6.00767 4.74065 2.5885 76.1139 6.0077 76.1138 22.5264 GPRESSAVG: 4299400 11.9771 5.47307 6.75052 3.64027 2.42216 75.5481 6.02528 77.4801 22.5002 TIMING: 4299400 CPU: 12447.4, 0.00286735/step Wall: 12447.4, 0.00286735/step, 0.558018 hours remaining, 210.355469 MB of memory in use. ENERGY: 4299400 749.0981 2160.7314 1953.6387 106.2158 -206030.5053 17482.8331 0.0000 0.0000 34525.1626 -149052.8256 301.5168 -183577.9883 -148962.9696 300.5694 -195.2230 -163.0456 556591.4433 12.5236 12.2998 PRESSURE: 4299600 42.7565 -18.9007 29.9643 -18.9001 -132.87 -47.0901 29.9644 -47.0919 -106.53 GPRESSURE: 4299600 157.263 -6.87659 -20.1894 35.941 -116.016 -57.3143 34.7446 -59.1499 -140.32 PRESSAVG: 4299600 -26.7721 79.1063 20.6445 79.1063 -26.6121 -4.91685 20.6445 -4.91693 43.5623 GPRESSAVG: 4299600 -24.7702 79.018 20.4847 77.1408 -26.888 -4.43347 21.1979 -6.19686 42.0853 TIMING: 4299600 CPU: 12448, 0.00287162/step Wall: 12448, 0.00287162/step, 0.55869 hours remaining, 210.355469 MB of memory in use. ENERGY: 4299600 757.6583 2087.6251 1945.3190 112.0199 -205933.0983 17657.4367 0.0000 0.0000 34317.7341 -149055.3050 299.7053 -183373.0392 -148965.3953 299.6081 -65.5478 -33.0242 557176.2883 -3.2740 -3.1910 PRESSURE: 4299800 111.893 105.969 -68.8114 105.969 -174.048 77.2619 -68.8128 77.2599 -9.7209 GPRESSURE: 4299800 150.913 145.12 -33.308 38.3606 -193.722 112.246 -122.774 -13.4354 60.7222 PRESSAVG: 4299800 63.2677 -41.4277 53.7632 -41.4276 -86.5667 -21.058 53.7631 -21.0581 29.0157 GPRESSAVG: 4299800 63.0326 -42.6859 53.0471 -39.0187 -86.8254 -21.4459 54.1879 -20.1616 29.5573 TIMING: 4299800 CPU: 12448.6, 0.00285655/step Wall: 12448.6, 0.00285655/step, 0.5556 hours remaining, 210.355469 MB of memory in use. ENERGY: 4299800 750.7156 2081.6935 1944.7373 116.2230 -206241.3623 17770.0771 0.0000 0.0000 34496.0848 -149081.8310 301.2629 -183577.9158 -148976.4302 299.9174 -23.9586 5.9712 556831.2333 1.9056 1.9215 WRITING COORDINATES TO DCD FILE MD.2.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: 4300000 -34.215 -173.69 42.5216 -173.692 -40.2394 100.013 42.5203 100.012 -79.6401 GPRESSURE: 4300000 0.537541 -128.765 83.9777 -133.39 -9.81142 4.25 -31.8621 84.7904 -47.9757 PRESSAVG: 4300000 -10.1522 -25.1713 9.86437 -25.1713 -39.6732 8.66122 9.86431 8.66109 15.6082 GPRESSAVG: 4300000 -11.3538 -24.513 11.1877 -25.2746 -38.5733 8.63414 10.28 7.8273 15.6923 TIMING: 4300000 CPU: 12449.2, 0.00294837/step Wall: 12449.2, 0.00294837/step, 0.573295 hours remaining, 210.355469 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: 4300000 798.4338 2077.4665 1954.5158 99.6975 -206349.5322 17983.7629 0.0000 0.0000 34340.1393 -149095.5164 299.9010 -183435.6557 -148997.3712 300.2438 -51.3648 -19.0832 558262.0246 -11.4058 -11.4116 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 PRESSURE: 4300200 8.91982 -51.0804 127.5 -51.0784 -168.687 -41.0434 127.5 -41.0426 367.22 GPRESSURE: 4300200 15.2558 -42.7787 129.577 -121.541 -67.5525 -91.4138 125.765 -77.8584 354.828 PRESSAVG: 4300200 -64.3686 32.0178 15.4485 32.0178 70.4234 -68.4756 15.4485 -68.4756 8.42021 GPRESSAVG: 4300200 -62.8278 31.7689 14.7706 34.2063 69.1146 -69.5371 13.0087 -67.0723 8.1868 TIMING: 4300200 CPU: 12449.7, 0.00287512/step Wall: 12449.7, 0.00287512/step, 0.558892 hours remaining, 210.355469 MB of memory in use. ENERGY: 4300200 725.5700 2085.5513 1951.7254 100.4366 -206025.2471 17812.0900 0.0000 0.0000 34275.7019 -149074.1720 299.3382 -183349.8739 -148975.3153 300.5024 69.1509 100.8438 557286.0800 4.8250 4.8246 LDB: ============= START OF LOAD BALANCING ============== 12453.1 LDB: ============== END OF LOAD BALANCING =============== 12453.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12453.1 LDB: ============= START OF LOAD BALANCING ============== 12453.4 LDB: Largest compute 4773 load 0.025679 is 21.8% of average load 0.118037 LDB: Average compute 0.001730 is 1.5% of average load 0.118037 LDB: TIME 12453.4 LOAD: AVG 0.118037 MAX 0.178751 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 12453.4 LOAD: AVG 0.118037 MAX 0.178751 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: TIME 12453.4 LOAD: AVG 0.118037 MAX 0.178751 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12453.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12453.4 PRESSURE: 4300400 -98.5372 -116.849 -19.4193 -116.849 -30.8538 -51.2826 -19.4192 -51.2813 -226.045 GPRESSURE: 4300400 -48.9454 -94.7218 -25.0422 -86.3814 -32.1664 -40.2281 -62.692 -39.7403 -169.587 PRESSAVG: 4300400 -15.2761 42.8259 -12.0194 42.8258 30.7326 -40.7692 -12.0195 -40.7691 2.74378 GPRESSAVG: 4300400 -16.0083 43.2606 -13.2898 40.3514 30.788 -38.9351 -11.6937 -42.0866 2.86572 TIMING: 4300400 CPU: 12450.3, 0.00293343/step Wall: 12450.3, 0.00293343/step, 0.570063 hours remaining, 210.683594 MB of memory in use. ENERGY: 4300400 759.3298 2075.6216 1949.4514 120.1066 -205979.6038 17606.9799 0.0000 0.0000 34470.7446 -148997.3698 301.0416 -183468.1144 -148898.0284 299.7742 -118.4788 -83.5663 557827.8578 6.0668 5.8818 PRESSURE: 4300600 71.2798 45.2677 -128.458 45.2677 67.2344 -142.579 -128.459 -142.579 36.2937 GPRESSURE: 4300600 191.809 122.3 -101.954 2.71949 5.06561 -12.3795 -87.3146 -152.789 79.5165 PRESSAVG: 4300600 -2.21365 -41.3231 17.5246 -41.323 -34.7606 15.5161 17.5247 15.5162 34.1663 GPRESSAVG: 4300600 -1.03893 -41.3654 18.0318 -41.9222 -35.2344 14.1778 18.5046 15.4858 33.8625 TIMING: 4300600 CPU: 12450.9, 0.00287227/step Wall: 12450.9, 0.00287227/step, 0.558019 hours remaining, 210.683594 MB of memory in use. ENERGY: 4300600 749.5424 2097.1920 1967.1805 104.3139 -206437.9734 18026.7461 0.0000 0.0000 34264.2823 -149228.7163 299.2385 -183492.9985 -149133.8668 299.4007 58.2693 92.1302 557957.6227 -0.9360 -0.8036 PRESSURE: 4300800 -7.30516 133.535 64.5545 133.536 1.81689 -131.11 64.5531 -131.111 240.201 GPRESSURE: 4300800 80.8052 95.6911 49.6606 126.371 -28.1976 -101.745 111.562 -185.527 276.867 PRESSAVG: 4300800 72.4685 41.769 -47.5829 41.769 -44.1819 -73.1856 -47.583 -73.1857 -16.8904 GPRESSAVG: 4300800 71.7911 42.3858 -46.9937 42.16 -44.5441 -71.9582 -47.0813 -72.7869 -16.3192 TIMING: 4300800 CPU: 12451.5, 0.00288689/step Wall: 12451.5, 0.00288689/step, 0.560697 hours remaining, 210.683594 MB of memory in use. ENERGY: 4300800 714.0495 2056.2699 1979.0173 111.7591 -206322.8069 17899.1680 0.0000 0.0000 34173.5416 -149389.0014 298.4460 -183562.5430 -149292.2161 298.6707 78.2377 109.8247 556822.2516 3.7987 3.6426 PRESSURE: 4301000 -141.606 -151.519 -91.4995 -151.519 -104.28 -170.544 -91.4977 -170.543 -135.999 GPRESSURE: 4301000 -106.238 -190.975 -91.8286 -115.456 -49.2303 -195.423 -37.9779 -122.845 -133.046 PRESSAVG: 4301000 41.0033 -46.8782 0.988205 -46.8783 -57.599 -58.1026 0.988292 -58.1026 18.8287 GPRESSAVG: 4301000 40.927 -48.7404 0.596007 -46.1942 -55.5956 -57.517 0.22961 -59.7541 18.0178 TIMING: 4301000 CPU: 12452.1, 0.00286689/step Wall: 12452.1, 0.00286689/step, 0.556655 hours remaining, 210.683594 MB of memory in use. ENERGY: 4301000 744.2214 2119.0152 1969.4829 110.3801 -206114.3463 17605.2641 0.0000 0.0000 34115.0919 -149450.8907 297.9356 -183565.9827 -149354.3770 298.3717 -127.2949 -96.1713 557849.5550 0.7443 1.1164 PRESSURE: 4301200 -348.093 -118.383 -54.1096 -118.383 -209.023 -63.5028 -54.1098 -63.5031 -160.462 GPRESSURE: 4301200 -302.538 -171.233 -95.2719 -128.824 -164.745 -108.623 -49.8541 -70.3515 -149.264 PRESSAVG: 4301200 57.9203 -26.9086 33.3234 -26.9086 -8.29887 -17.0997 33.3234 -17.0997 -41.9049 GPRESSAVG: 4301200 57.9966 -27.1689 31.8903 -25.8873 -7.92823 -18.7271 32.6741 -15.6016 -42.7989 TIMING: 4301200 CPU: 12452.6, 0.00289097/step Wall: 12452.6, 0.00289097/step, 0.56117 hours remaining, 210.683594 MB of memory in use. ENERGY: 4301200 722.7413 2022.6659 1947.5352 116.2399 -205742.1897 17232.0953 0.0000 0.0000 34142.6820 -149558.2301 298.1765 -183700.9121 -149465.4346 298.5360 -239.1926 -205.5159 557850.9759 2.5722 2.4232 PRESSURE: 4301400 -238.783 105.005 -129.54 105.005 -25.1275 -79.2638 -129.539 -79.2641 122.834 GPRESSURE: 4301400 -197.268 101.064 -178.473 82.8021 34.1032 -108.59 -69.0659 -32.3875 123.779 PRESSAVG: 4301400 46.8556 2.51181 -0.530092 2.51187 -49.3432 13.1598 -0.530141 13.1598 -37.5344 GPRESSAVG: 4301400 47.5156 0.580893 0.216948 4.17922 -50.4206 14.0891 0.58873 14.4077 -36.9916 TIMING: 4301400 CPU: 12453.2, 0.00289418/step Wall: 12453.2, 0.00289418/step, 0.561632 hours remaining, 210.683594 MB of memory in use. ENERGY: 4301400 779.6112 2056.9912 1932.2397 115.7296 -206399.5192 17798.8623 0.0000 0.0000 34178.9267 -149537.1584 298.4931 -183716.0851 -149435.9957 297.9950 -47.0256 -13.1285 557778.0187 -13.3406 -13.2989 PRESSURE: 4301600 -35.8295 -55.7147 -31.0574 -55.7149 -299.277 275.73 -31.058 275.73 -35.739 GPRESSURE: 4301600 -37.1097 -67.5215 17.0801 11.0582 -281.046 233.668 8.61841 261.112 39.1076 PRESSAVG: 4301600 26.7468 65.6334 -30.7435 65.6334 -24.9949 23.9341 -30.7434 23.9341 33.4175 GPRESSAVG: 4301600 25.5364 68.6167 -30.3832 64.7103 -24.0047 22.3574 -31.1591 23.1323 33.6869 TIMING: 4301600 CPU: 12453.8, 0.00287183/step Wall: 12453.8, 0.00287183/step, 0.557136 hours remaining, 210.683594 MB of memory in use. ENERGY: 4301600 769.8434 2104.5357 1955.3078 108.3945 -206326.3015 17739.9515 0.0000 0.0000 34018.1604 -149630.1083 297.0891 -183648.2686 -149538.1617 298.2088 -123.6152 -93.0159 557297.9206 11.7231 11.7395 PRESSURE: 4301800 -167.658 -39.6887 89.124 -39.6885 -66.5335 114.758 89.1237 114.76 -21.5513 GPRESSURE: 4301800 -94.2164 1.46649 -28.4701 -164.245 -48.2145 125.282 77.5259 113.637 -25.2158 PRESSAVG: 4301800 5.66097 32.7274 -41.2013 32.7273 -41.1292 59.0242 -41.2013 59.0242 31.1603 GPRESSAVG: 4301800 5.99418 30.7609 -40.3965 31.668 -42.1668 60.456 -41.7849 58.4758 32.1399 TIMING: 4301800 CPU: 12454.4, 0.00287927/step Wall: 12454.4, 0.00287928/step, 0.558419 hours remaining, 210.683594 MB of memory in use. ENERGY: 4301800 785.1456 2146.4470 1938.5182 120.2538 -206388.4154 17686.4103 0.0000 0.0000 34130.4448 -149581.1958 298.0697 -183711.6406 -149484.9094 298.2360 -85.2476 -55.8822 555014.1500 -1.4360 -1.3442 PRESSURE: 4302000 40.7729 -209.516 -68.827 -209.516 72.8706 19.4613 -68.8266 19.4598 -81.6772 GPRESSURE: 4302000 6.99337 -196.74 -63.9818 -251.698 113.996 -12.5032 -83.8439 -44.7483 9.77257 PRESSAVG: 4302000 -2.49714 7.06432 30.4827 7.06433 -85.651 16.0473 30.4827 16.0473 109.637 GPRESSAVG: 4302000 -1.74855 6.69729 30.1314 7.21158 -84.4697 14.3738 30.7306 15.6826 107.732 TIMING: 4302000 CPU: 12454.9, 0.00290401/step Wall: 12454.9, 0.00290401/step, 0.563055 hours remaining, 210.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4302000 761.4095 2084.9394 1942.7868 111.8677 -206570.7536 17851.9532 0.0000 0.0000 34392.8579 -149424.9391 300.3614 -183817.7970 -149325.3092 298.9630 10.6555 43.5874 555767.4625 7.1629 7.1712 PRESSURE: 4302200 -92.9472 -109.424 117.807 -109.423 -194.751 283.481 117.807 283.481 -95.6195 GPRESSURE: 4302200 -88.289 -105.036 148.062 -143.019 -133.995 342.032 88.7576 272.564 -69.4794 PRESSAVG: 4302200 -20.732 6.903 -2.28658 6.90304 1.50034 -2.23839 -2.28654 -2.23855 -2.26264 GPRESSAVG: 4302200 -19.7206 7.75773 -1.77076 7.50606 1.10311 -1.22781 -3.07097 -3.57884 -2.93144 TIMING: 4302200 CPU: 12455.5, 0.00289418/step Wall: 12455.5, 0.00289418/step, 0.560989 hours remaining, 210.683594 MB of memory in use. ENERGY: 4302200 748.8333 2088.6905 1931.7575 120.5919 -206244.3162 17756.4874 0.0000 0.0000 34156.6391 -149441.3165 298.2984 -183597.9556 -149349.9333 298.6673 -127.7725 -97.2545 557091.9576 -7.1648 -7.1830 PRESSURE: 4302400 -107.35 35.9559 -75.3807 35.9561 -29.4989 -94.2224 -75.3793 -94.223 -185.892 GPRESSURE: 4302400 -71.4036 94.6861 -108.696 32.2043 -77.7185 -112.738 -79.3561 -102.315 -82.3582 PRESSAVG: 4302400 3.64445 -34.126 -2.18843 -34.126 33.6264 48.4732 -2.1885 48.4733 -32.1562 GPRESSAVG: 4302400 2.82246 -35.2099 -4.66136 -34.5931 32.8516 47.7963 -0.504937 50.1751 -30.3195 TIMING: 4302400 CPU: 12456.1, 0.00288588/step Wall: 12456.1, 0.00288588/step, 0.559219 hours remaining, 210.683594 MB of memory in use. ENERGY: 4302400 737.0873 2137.4265 1914.3448 112.8789 -206250.8054 17726.4618 0.0000 0.0000 34207.3107 -149415.2952 298.7410 -183622.6059 -149314.4938 298.9190 -107.5803 -77.1601 557138.2481 1.7049 1.7848 PRESSURE: 4302600 79.128 -109.034 68.7838 -109.034 301.115 14.1124 68.783 14.1141 191.125 GPRESSURE: 4302600 156.699 -139.211 63.3144 -125.628 309.518 36.4027 -24.4048 -56.5149 193.246 PRESSAVG: 4302600 36.7729 43.2828 -22.7804 43.2828 -27.1653 -1.21046 -22.7805 -1.21055 4.27591 GPRESSAVG: 4302600 37.0585 43.5408 -20.6039 42.6579 -27.2219 -0.833155 -24.9558 -1.05501 3.54007 TIMING: 4302600 CPU: 12456.7, 0.00288129/step Wall: 12456.7, 0.00288129/step, 0.558169 hours remaining, 210.683594 MB of memory in use. ENERGY: 4302600 780.1106 2098.1850 1920.7543 113.5000 -206830.6001 18197.2660 0.0000 0.0000 34370.6899 -149350.0944 300.1678 -183720.7843 -149253.7875 298.9860 190.4557 219.8211 555863.1392 4.6279 4.4589 PRESSURE: 4302800 71.5978 -53.1502 -27.2668 -53.1492 -101.016 -137.171 -27.2667 -137.172 -37.3946 GPRESSURE: 4302800 93.0274 -50.6375 49.2422 -63.1392 -85.4843 -99.6627 -5.37714 -73.414 25.4666 PRESSAVG: 4302800 -54.1945 -42.1598 -21.6403 -42.1598 7.28521 9.65744 -21.6403 9.65743 33.7524 GPRESSAVG: 4302800 -54.6377 -42.1625 -19.7856 -40.6436 7.98216 9.73266 -22.6184 10.0675 33.5019 TIMING: 4302800 CPU: 12457.2, 0.00286813/step Wall: 12457.2, 0.00286813/step, 0.555461 hours remaining, 210.683594 MB of memory in use. ENERGY: 4302800 759.5223 2068.8528 1932.4875 117.7580 -206278.8975 17774.4670 0.0000 0.0000 34213.8771 -149411.9329 298.7983 -183625.8099 -149321.2442 298.6766 -22.2710 11.0032 557888.7570 -4.3856 -4.3845 PRESSURE: 4303000 128.25 83.8785 -101.877 83.8783 -178.035 -4.77601 -101.877 -4.77562 -6.79431 GPRESSURE: 4303000 173.342 74.2749 -42.8582 21.659 -143.312 -44.6602 -26.3674 -16.1561 5.68724 PRESSAVG: 4303000 31.98 -36.0143 -14.1244 -36.0142 4.99229 0.968536 -14.1243 0.968479 31.1023 GPRESSAVG: 4303000 32.4817 -35.4389 -15.8298 -36.4459 4.2829 3.21718 -11.9776 -0.0909293 31.4105 TIMING: 4303000 CPU: 12457.8, 0.00286835/step Wall: 12457.8, 0.00286835/step, 0.555345 hours remaining, 210.683594 MB of memory in use. ENERGY: 4303000 722.4972 2098.5408 1960.1097 121.7110 -205893.1512 17629.4243 0.0000 0.0000 34227.8920 -149132.9762 298.9207 -183360.8682 -149038.2226 299.4816 -18.8600 11.9055 558807.2727 22.6915 22.7251 PRESSURE: 4303200 183.826 -1.10737 153.729 -1.10687 9.84376 44.8835 153.728 44.882 -181.735 GPRESSURE: 4303200 245.509 75.0304 152.533 15.0966 -15.4012 -92.2985 220.173 168.182 -122.919 PRESSAVG: 4303200 20.1444 39.1491 33.2015 39.149 -66.7605 42.4709 33.2016 42.4709 34.3107 GPRESSAVG: 4303200 19.4528 38.127 31.7224 37.757 -66.439 39.2625 32.0565 42.6965 34.3256 TIMING: 4303200 CPU: 12458.4, 0.00285676/step Wall: 12458.4, 0.00285676/step, 0.552942 hours remaining, 210.683594 MB of memory in use. ENERGY: 4303200 769.6302 2104.7482 1916.6468 104.1700 -206543.3965 18019.7658 0.0000 0.0000 34463.2606 -149165.1748 300.9762 -183628.4354 -149069.0897 299.3353 3.9782 35.7295 557818.7371 -4.1018 -4.2202 PRESSURE: 4303400 25.4226 -105.318 -53.7315 -105.318 -8.91079 -157.866 -53.7306 -157.866 -162.651 GPRESSURE: 4303400 35.4468 -107.484 33.5169 -13.8514 -15.1435 -153.454 -110.304 -174.408 -72.5382 PRESSAVG: 4303400 38.8295 36.727 8.05008 36.727 -13.0709 10.8462 8.05003 10.8463 -38.6047 GPRESSAVG: 4303400 39.3499 38.5088 9.87776 37.4285 -13.5948 13.2119 8.34288 9.90723 -39.0492 TIMING: 4303400 CPU: 12459, 0.00286101/step Wall: 12459, 0.00286101/step, 0.553606 hours remaining, 210.683594 MB of memory in use. ENERGY: 4303400 751.6467 2123.6927 1942.6647 111.8114 -205908.3409 17672.4586 0.0000 0.0000 34104.8281 -149201.2387 297.8459 -183306.0668 -149104.6076 299.8530 -48.7131 -17.4116 557069.0733 -4.2820 -4.4314 PRESSURE: 4303600 -89.9737 -92.611 23.3452 -92.6113 -219.953 -180.169 23.3445 -180.169 3.51535 GPRESSURE: 4303600 -44.8847 -174.952 30.9825 -126.191 -147.647 -201.475 10.9337 -222.713 -0.430588 PRESSAVG: 4303600 -49.3882 -12.4657 66.7032 -12.4657 -10.2361 -18.6441 66.7032 -18.644 34.4251 GPRESSAVG: 4303600 -49.1642 -13.0819 64.0847 -11.0831 -10.3972 -19.7539 65.8478 -17.756 33.6903 TIMING: 4303600 CPU: 12459.5, 0.0028801/step Wall: 12459.5, 0.0028801/step, 0.557139 hours remaining, 210.683594 MB of memory in use. ENERGY: 4303600 759.9280 2111.9784 1929.5490 114.8777 -206039.0575 17614.1242 0.0000 0.0000 34227.9309 -149280.6693 298.9210 -183508.6002 -149181.5761 299.0079 -102.1370 -64.3209 557783.5269 -8.3998 -8.6237 PRESSURE: 4303800 28.4604 24.4803 114.408 24.4802 339.149 13.5154 114.408 13.5147 -257.531 GPRESSURE: 4303800 74.4225 7.8622 88.368 -22.5584 352.813 52.4478 150.803 5.65923 -227.925 PRESSAVG: 4303800 -22.6622 -83.155 -8.86579 -83.155 38.3925 9.42301 -8.8658 9.42301 15.2423 GPRESSAVG: 4303800 -22.478 -85.2761 -5.95206 -83.5321 38.6067 9.09055 -9.7201 9.02002 15.0289 TIMING: 4303800 CPU: 12460.1, 0.0028686/step Wall: 12460.1, 0.0028686/step, 0.554756 hours remaining, 210.683594 MB of memory in use. ENERGY: 4303800 751.8261 2130.6605 1936.3529 112.0449 -206299.8525 17828.1550 0.0000 0.0000 34281.3777 -149259.4354 299.3878 -183540.8131 -149159.1855 299.4522 36.6927 66.4367 556139.3636 10.3242 10.3859 PRESSURE: 4304000 -72.4532 -103.421 69.6574 -103.422 -13.9492 1.31156 69.6566 1.31068 -260.177 GPRESSURE: 4304000 25.1309 -55.5732 83.0329 -68.622 21.0265 -18.0651 66.9972 1.3328 -288.156 PRESSAVG: 4304000 9.69958 -10.197 28.9062 -10.197 25.8986 -41.5594 28.9061 -41.5594 -18.6663 GPRESSAVG: 4304000 9.77927 -5.87237 26.9916 -11.5838 25.5844 -40.0023 30.9232 -41.7948 -19.1155 TIMING: 4304000 CPU: 12460.7, 0.00290013/step Wall: 12460.7, 0.00290013/step, 0.560691 hours remaining, 210.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4304000 758.2375 2139.3472 1925.8770 123.4698 -205876.2594 17472.7542 0.0000 0.0000 34138.4490 -149318.1246 298.1396 -183456.5736 -149220.1373 299.6144 -115.5265 -80.6660 557632.0363 5.6440 5.4161 PRESSURE: 4304200 159.562 66.2745 -20.8499 66.2747 62.3836 -159.521 -20.8489 -159.521 61.6543 GPRESSURE: 4304200 231.725 129.972 39.4667 22.5969 76.8623 -161.997 72.4127 -174.012 62.9254 PRESSAVG: 4304200 54.8639 -40.0368 0.278057 -40.0367 41.2133 -45.9266 0.278101 -45.9265 -91.003 GPRESSAVG: 4304200 54.2529 -42.0122 1.35771 -41.2064 40.5955 -45.7335 -0.219368 -46.4182 -89.4547 TIMING: 4304200 CPU: 12461.3, 0.00287392/step Wall: 12461.3, 0.00287392/step, 0.555465 hours remaining, 210.683594 MB of memory in use. ENERGY: 4304200 744.5575 2158.8649 1949.0260 124.1398 -206177.7948 17998.1183 0.0000 0.0000 34193.9032 -149009.1852 298.6239 -183203.0883 -148908.5469 299.5986 94.5334 123.8375 557275.0683 1.6914 1.7979 LDB: ============= START OF LOAD BALANCING ============== 12464.7 LDB: ============== END OF LOAD BALANCING =============== 12464.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12464.7 LDB: ============= START OF LOAD BALANCING ============== 12464.9 LDB: Largest compute 4773 load 0.024428 is 20.7% of average load 0.118105 LDB: Average compute 0.001732 is 1.5% of average load 0.118105 LDB: TIME 12464.9 LOAD: AVG 0.118105 MAX 0.179813 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.477 MB LDB: TIME 12464.9 LOAD: AVG 0.118105 MAX 0.179813 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.547 MB LDB: TIME 12464.9 LOAD: AVG 0.118105 MAX 0.179813 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.547 MB LDB: ============== END OF LOAD BALANCING =============== 12464.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12465 PRESSURE: 4304400 261.096 -131.172 -8.18575 -131.172 257.22 79.5663 -8.18562 79.567 156.773 GPRESSURE: 4304400 263.134 -46.6324 33.7376 -124.788 230.448 98.636 -21.4021 61.7715 280.345 PRESSAVG: 4304400 -4.80071 -28.5756 -35.7406 -28.5755 37.5655 -16.1112 -35.7406 -16.1112 -38.7566 GPRESSAVG: 4304400 -4.8681 -27.1106 -36.5898 -26.5202 38.0096 -16.7913 -36.8168 -16.428 -38.9625 TIMING: 4304400 CPU: 12461.9, 0.00294828/step Wall: 12461.9, 0.00294828/step, 0.569674 hours remaining, 210.921875 MB of memory in use. ENERGY: 4304400 744.5579 2087.5510 1929.8363 114.2389 -206627.6312 18230.6259 0.0000 0.0000 34346.4676 -149174.3536 299.9562 -183520.8212 -149075.6154 300.4140 225.0297 257.9758 556080.5549 -1.9973 -1.9403 PRESSURE: 4304600 -147.914 89.8132 110.499 89.8127 -236.609 114.764 110.498 114.764 -96.6225 GPRESSURE: 4304600 -116.501 33.3526 57.5175 3.95828 -206.648 27.0417 58.034 207.009 -50.5002 PRESSAVG: 4304600 -33.8855 -32.6909 -0.514244 -32.6909 55.6838 -25.7654 -0.514378 -25.7655 -23.3678 GPRESSAVG: 4304600 -33.5441 -33.8629 0.50322 -34.4423 55.5546 -26.6211 0.0337793 -22.6455 -23.7582 TIMING: 4304600 CPU: 12462.4, 0.00288792/step Wall: 12462.4, 0.00288792/step, 0.55785 hours remaining, 211.125000 MB of memory in use. ENERGY: 4304600 765.2180 2175.6438 1940.0934 110.4095 -206301.9721 17642.2421 0.0000 0.0000 34404.2383 -149264.1271 300.4608 -183668.3653 -149170.5551 299.6869 -160.3818 -124.5500 557853.8119 -0.5232 -0.5826 PRESSURE: 4304800 -5.1726 -176.727 -104.648 -176.727 -65.8633 7.46643 -104.647 7.46716 -38.0926 GPRESSURE: 4304800 -33.7271 -64.9766 -61.3573 -173.481 50.4813 39.1337 -120.334 -94.0204 -23.914 PRESSAVG: 4304800 -9.5506 -5.71811 -6.74739 -5.71809 -16.3722 22.4225 -6.74742 22.4225 8.52323 GPRESSAVG: 4304800 -10.3335 -3.98178 -7.68483 -5.4142 -16.3381 21.7702 -4.95589 20.4063 9.4292 TIMING: 4304800 CPU: 12463, 0.00286184/step Wall: 12463, 0.00286184/step, 0.552653 hours remaining, 211.125000 MB of memory in use. ENERGY: 4304800 791.2625 2123.2727 1962.6489 117.1761 -206501.1374 17927.8560 0.0000 0.0000 34345.0787 -149233.8425 299.9441 -183578.9211 -149145.3904 299.4999 -36.3762 -2.3866 557888.7613 -5.7999 -5.7475 PRESSURE: 4305000 -325.934 -222.317 -9.20847 -222.317 112.307 56.0376 -9.20741 56.041 -64.0998 GPRESSURE: 4305000 -238.99 -161.028 -45.9694 -271.077 128.295 34.0211 64.2371 -27.3765 -59.4232 PRESSAVG: 4305000 -5.90668 -7.28596 -1.35291 -7.28591 -1.03242 6.31254 -1.35284 6.31265 5.53885 GPRESSAVG: 4305000 -6.26788 -9.14835 0.432106 -7.14032 -1.09958 6.54646 -4.09496 5.66099 5.59167 TIMING: 4305000 CPU: 12463.6, 0.00285874/step Wall: 12463.6, 0.00285874/step, 0.551895 hours remaining, 211.125000 MB of memory in use. ENERGY: 4305000 804.4827 2131.9004 1959.9327 121.5653 -206281.8966 17802.8834 0.0000 0.0000 34281.9325 -149179.1995 299.3926 -183461.1320 -149087.6310 300.0692 -92.5753 -56.7059 557784.9235 -0.4667 -0.5919 PRESSURE: 4305200 -13.1854 -98.0993 -53.3012 -98.0982 -16.2699 34.483 -53.302 34.4833 138.449 GPRESSURE: 4305200 38.2649 -108.442 -63.1423 -133.656 24.8904 48.0247 -76.5864 81.1583 142.841 PRESSAVG: 4305200 14.4472 -13.2776 27.2997 -13.2777 -2.35379 2.5713 27.2997 2.57143 -14.5242 GPRESSAVG: 4305200 15.1808 -10.2075 25.6603 -13.6989 -2.30417 2.94632 29.7224 4.01362 -15.1391 TIMING: 4305200 CPU: 12464.1, 0.00284769/step Wall: 12464.1, 0.00284769/step, 0.549604 hours remaining, 211.125000 MB of memory in use. ENERGY: 4305200 737.5141 2154.0215 1952.5048 113.4465 -206537.6892 17883.6329 0.0000 0.0000 34408.8285 -149287.7409 300.5009 -183696.5694 -149187.9361 299.6574 36.3313 68.6654 557642.0547 -0.8103 -0.7541 PRESSURE: 4305400 -23.8611 -94.1051 166.341 -94.105 -324.135 115.677 166.342 115.676 -422.784 GPRESSURE: 4305400 0.266483 -101.989 125.058 -130.209 -306.245 126.251 211.872 90.8881 -374.946 PRESSAVG: 4305400 59.8466 -57.4219 24.4497 -57.422 -63.1034 17.7976 24.4497 17.7977 44.271 GPRESSAVG: 4305400 58.621 -59.8821 25.3211 -55.6018 -63.3126 17.5208 21.6299 17.6935 45.2642 TIMING: 4305400 CPU: 12464.7, 0.00289233/step Wall: 12464.7, 0.00289234/step, 0.55806 hours remaining, 211.125000 MB of memory in use. ENERGY: 4305400 784.7303 2103.3933 1943.7370 108.5035 -206350.7063 17510.2224 0.0000 0.0000 34433.8057 -149466.3140 300.7190 -183900.1197 -149360.6574 299.7168 -256.9269 -226.9749 557102.3863 13.6714 13.5242 PRESSURE: 4305600 -8.12594 6.88674 96.9091 6.88495 -14.1202 177.635 96.9108 177.634 -19.6089 GPRESSURE: 4305600 -62.3833 24.9306 96.5159 -88.9038 57.1412 143.957 118.903 191.066 52.6278 PRESSAVG: 4305600 10.5939 -32.3605 29.6185 -32.3605 42.8328 3.97655 29.6185 3.97652 -44.8957 GPRESSAVG: 4305600 10.9599 -34.4115 29.9826 -32.1243 43.1456 2.74367 30.5036 4.09365 -45.2424 TIMING: 4305600 CPU: 12465.3, 0.00290236/step Wall: 12465.3, 0.00290236/step, 0.559834 hours remaining, 211.125000 MB of memory in use. ENERGY: 4305600 767.7309 2094.3909 1959.7516 113.9548 -206420.7106 17857.6471 0.0000 0.0000 34311.3548 -149315.8804 299.6496 -183627.2352 -149218.1929 298.9574 -13.9517 15.7952 556616.9245 2.8437 2.9544 PRESSURE: 4305800 -46.7598 92.068 -10.9376 92.0674 9.20757 -70.2636 -10.9373 -70.2638 -59.6763 GPRESSURE: 4305800 14.42 206.567 11.2161 56.2947 37.4561 -61.735 -70.6564 -97.2219 -40.2948 PRESSAVG: 4305800 -33.3854 -4.49161 1.66101 -4.49168 10.1438 40.7954 1.66097 40.7954 -33.9018 GPRESSAVG: 4305800 -33.96 -3.49037 0.974328 -5.60356 10.2215 42.5624 1.37908 40.3614 -32.9074 TIMING: 4305800 CPU: 12465.9, 0.00287699/step Wall: 12465.9, 0.00287699/step, 0.554779 hours remaining, 211.125000 MB of memory in use. ENERGY: 4305800 808.9030 2156.8077 1930.0581 123.3731 -206383.9280 17797.8108 0.0000 0.0000 34476.9436 -149090.0317 301.0957 -183566.9752 -148989.8158 299.4791 -32.4095 3.8604 556343.7740 -19.0478 -18.8820 PRESSURE: 4306000 49.2489 130.804 -122.237 130.804 100.278 17.5373 -122.237 17.5353 295.671 GPRESSURE: 4306000 119.786 176.779 -108.133 106.778 160.663 -2.73855 -66.348 50.4862 266.319 PRESSAVG: 4306000 -47.7155 -17.9302 -53.348 -17.9303 80.9509 55.2857 -53.348 55.2858 -17.984 GPRESSAVG: 4306000 -46.8293 -16.9523 -55.9076 -16.0488 81.2116 55.7364 -51.8498 53.7632 -18.2095 TIMING: 4306000 CPU: 12466.5, 0.00288768/step Wall: 12466.5, 0.00288768/step, 0.55668 hours remaining, 211.125000 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: 4306000 735.5279 2112.6289 1935.9227 97.2629 -206289.7705 17989.6684 0.0000 0.0000 34274.3073 -149144.4523 299.3261 -183418.7596 -149047.2900 300.1416 148.3994 182.2564 555206.5997 5.0838 5.3909 PRESSURE: 4306200 142.719 -5.99361 -23.877 -5.9949 52.9616 -50.8478 -23.8772 -50.8486 -41.8543 GPRESSURE: 4306200 119.924 43.8637 -39.5484 -18.6509 113.218 -37.7839 1.19433 10.9602 32.2017 PRESSAVG: 4306200 -13.2633 39.8372 12.7149 39.8371 21.5383 8.82432 12.7148 8.82444 -19.0484 GPRESSAVG: 4306200 -14.1502 41.2136 14.569 37.5835 22.5363 9.73959 11.3563 8.36541 -19.6835 TIMING: 4306200 CPU: 12467, 0.00288972/step Wall: 12467, 0.00288972/step, 0.556913 hours remaining, 211.125000 MB of memory in use. ENERGY: 4306200 749.4880 2114.7765 1932.2943 102.9171 -206152.4627 17799.0491 0.0000 0.0000 34249.8757 -149204.0620 299.1127 -183453.9377 -149103.5691 299.7706 51.2755 88.4477 555556.5992 -3.5912 -3.7658 PRESSURE: 4306400 23.7114 -16.4195 -101.293 -16.4214 39.7964 -89.0245 -101.293 -89.0269 -41.5206 GPRESSURE: 4306400 42.2164 -31.1493 -94.1104 -57.9455 73.406 -160.014 -103.145 13.9449 9.82324 PRESSAVG: 4306400 -45.091 30.755 -32.7526 30.755 8.55941 -46.1885 -32.7526 -46.1884 -9.58682 GPRESSAVG: 4306400 -45.4196 28.9014 -32.9966 30.5221 9.17606 -49.4655 -32.7807 -43.4379 -9.61128 TIMING: 4306400 CPU: 12467.6, 0.00287422/step Wall: 12467.6, 0.00287422/step, 0.553767 hours remaining, 211.125000 MB of memory in use. ENERGY: 4306400 728.0045 2103.5737 1918.9610 108.6635 -205876.0758 17434.6048 0.0000 0.0000 34315.9344 -149266.3340 299.6896 -183582.2684 -149160.3219 299.2477 7.3291 41.8152 555693.5357 -15.3728 -15.2850 PRESSURE: 4306600 -143.241 28.5742 24.377 28.5744 -100.804 93.2635 24.3779 93.2644 120.947 GPRESSURE: 4306600 -121.691 12.1528 30.682 -12.085 -45.3173 87.403 26.2136 -5.25793 146.392 PRESSAVG: 4306600 -2.26199 35.897 -49.1217 35.897 -26.4753 -31.5948 -49.1218 -31.5948 2.11742 GPRESSAVG: 4306600 -0.615136 34.5782 -49.2911 35.1527 -27.352 -28.9893 -49.9726 -35.2062 1.31826 TIMING: 4306600 CPU: 12468.2, 0.00288149/step Wall: 12468.2, 0.00288149/step, 0.555007 hours remaining, 211.125000 MB of memory in use. ENERGY: 4306600 703.2015 2091.6837 1929.3198 111.9073 -206153.9755 17753.9582 0.0000 0.0000 34290.7479 -149273.1572 299.4696 -183563.9050 -149182.0076 298.5374 -41.0326 -6.8723 557683.8390 -8.8733 -8.8829 PRESSURE: 4306800 -126.831 127.007 12.1938 127.006 -202.017 151.364 12.1933 151.364 -127.622 GPRESSURE: 4306800 -58.9244 104.243 82.7369 151.885 -179.956 173.648 19.2967 156.888 -125.784 PRESSAVG: 4306800 -11.7961 69.5295 -26.9624 69.5295 -17.7752 30.379 -26.9625 30.379 -16.3339 GPRESSAVG: 4306800 -12.0363 71.5567 -26.9352 70.8108 -17.5601 28.706 -25.4312 33.1305 -15.9811 TIMING: 4306800 CPU: 12468.8, 0.00287892/step Wall: 12468.8, 0.00287892/step, 0.554352 hours remaining, 211.125000 MB of memory in use. ENERGY: 4306800 709.2843 2099.0213 1943.2537 102.9667 -205633.0488 17412.8586 0.0000 0.0000 34128.9646 -149236.6996 298.0567 -183365.6643 -149135.5917 299.1347 -152.1568 -121.5547 557108.2485 -15.3018 -15.1925 PRESSURE: 4307000 -2.01858 68.2357 -6.55695 68.2369 -120.699 -97.9078 -6.55586 -97.907 21.4387 GPRESSURE: 4307000 14.837 12.6011 7.0851 62.3775 -95.4818 -56.39 -4.41863 -156.936 71.4135 PRESSAVG: 4307000 27.1055 26.9113 -10.6771 26.9113 -16.8658 -0.228774 -10.6771 -0.228771 23.2651 GPRESSAVG: 4307000 27.9873 24.9414 -12.2297 27.2166 -17.9321 2.07033 -11.2686 -1.61595 23.349 TIMING: 4307000 CPU: 12469.3, 0.00287182/step Wall: 12469.3, 0.00287182/step, 0.552826 hours remaining, 211.125000 MB of memory in use. ENERGY: 4307000 716.4790 2018.3256 1956.4883 119.6405 -205883.7686 17643.8117 0.0000 0.0000 34135.1466 -149293.8768 298.1107 -183429.0235 -149189.1510 299.3020 -33.7596 -3.0771 556892.6254 11.1683 11.1347 PRESSURE: 4307200 -124.18 -49.0611 -105.514 -49.0612 193.034 201.727 -105.513 201.728 -37.5011 GPRESSURE: 4307200 -108.922 -48.5492 -114.573 -25.8907 226.281 211.747 -135.182 162.402 10.6979 PRESSAVG: 4307200 -40.3259 -10.3641 22.2121 -10.3641 -3.07399 -25.654 22.2121 -25.6541 7.41706 GPRESSAVG: 4307200 -40.0385 -9.24797 23.9382 -11.6114 -4.062 -27.3371 21.857 -24.7551 7.98796 TIMING: 4307200 CPU: 12469.9, 0.00286932/step Wall: 12469.9, 0.00286932/step, 0.552184 hours remaining, 211.125000 MB of memory in use. ENERGY: 4307200 720.2295 2059.1579 1953.8528 113.4862 -206094.2135 17622.2345 0.0000 0.0000 34311.1393 -149314.1131 299.6477 -183625.2525 -149219.8018 298.7883 10.4507 42.6856 556321.4576 -11.9943 -12.0375 PRESSURE: 4307400 -95.8658 -40.4199 20.8007 -40.4205 182.407 -155.946 20.8014 -155.944 -4.80875 GPRESSURE: 4307400 -27.5313 10.3616 2.53747 -49.4827 173.098 -163.925 10.4523 -140.144 38.8935 PRESSAVG: 4307400 38.1639 -3.09406 -14.1872 -3.09401 7.15195 29.2267 -14.1871 29.2268 -8.56133 GPRESSAVG: 4307400 38.4715 -3.14633 -12.4322 -4.53555 7.63329 27.0234 -13.1201 28.9711 -9.33758 TIMING: 4307400 CPU: 12470.5, 0.00289194/step Wall: 12470.5, 0.00289194/step, 0.556376 hours remaining, 211.125000 MB of memory in use. ENERGY: 4307400 778.2455 2085.6986 1934.2182 118.5425 -206294.0986 17884.5765 0.0000 0.0000 34191.9396 -149300.8777 298.6067 -183492.8173 -149203.5418 298.7510 27.2442 61.4867 557667.5760 12.2515 12.2557 PRESSURE: 4307600 72.8912 -14.18 51.8207 -14.1789 4.57397 46.8336 51.8213 46.8332 250.159 GPRESSURE: 4307600 154.39 39.9361 31.3835 31.6953 0.599636 64.015 -3.64555 56.8147 267.296 PRESSAVG: 4307600 49.301 -21.0943 -5.86308 -21.0942 -36.0873 -28.7845 -5.86314 -28.7846 -26.097 GPRESSAVG: 4307600 48.8569 -20.6299 -5.90207 -17.3793 -36.1943 -25.7993 -9.33671 -29.8232 -25.8637 TIMING: 4307600 CPU: 12471.1, 0.00290523/step Wall: 12471.1, 0.00290523/step, 0.558772 hours remaining, 211.125000 MB of memory in use. ENERGY: 4307600 732.8865 2024.2216 1958.2647 105.7477 -206298.5847 17984.1027 0.0000 0.0000 34140.5581 -149352.8033 298.1580 -183493.3614 -149257.4707 299.2478 109.2082 140.7618 556989.1704 -4.2944 -4.4004 PRESSURE: 4307800 42.3876 34.9966 166.521 34.9964 -44.6336 79.3885 166.522 79.3889 -56.2423 GPRESSURE: 4307800 67.1475 -3.52512 165.397 35.7259 -12.1785 92.7155 135.12 -30.2388 -6.29289 PRESSAVG: 4307800 11.2111 39.7552 3.20028 39.7552 5.04622 -6.7112 3.20035 -6.71128 -6.20846 GPRESSAVG: 4307800 10.3231 39.5389 1.6826 39.0234 6.11927 -7.23609 5.50339 -7.96927 -6.6973 TIMING: 4307800 CPU: 12471.6, 0.00286772/step Wall: 12471.6, 0.00286772/step, 0.551399 hours remaining, 211.125000 MB of memory in use. ENERGY: 4307800 741.6540 2089.9606 1947.6306 108.9427 -205809.3335 17660.3515 0.0000 0.0000 34112.4323 -149148.3618 297.9124 -183260.7941 -149048.8213 298.6473 -19.4961 16.2254 558278.9249 3.3496 3.2483 PRESSURE: 4308000 25.7511 56.4029 -15.3106 56.4027 -25.4697 -46.8779 -15.3104 -46.8776 -280.967 GPRESSURE: 4308000 56.9302 58.621 28.4034 51.0166 30.4882 19.4755 -98.8999 -60.5088 -280.041 PRESSAVG: 4308000 -1.34377 42.0676 22.4026 42.0677 24.238 9.88318 22.4026 9.88319 -8.52946 GPRESSAVG: 4308000 -1.40884 41.1955 23.2264 42.1464 23.288 10.7087 20.257 8.9938 -7.01186 TIMING: 4308000 CPU: 12472.2, 0.00286907/step Wall: 12472.2, 0.00286907/step, 0.551498 hours remaining, 211.125000 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: 4308000 758.9141 2100.8046 1946.1940 101.1610 -205866.9516 17690.2100 0.0000 0.0000 34267.8070 -149001.8608 299.2693 -183269.6678 -148911.6832 299.5614 -93.5620 -64.2075 557759.6794 4.7883 4.9558 PRESSURE: 4308200 -89.9256 -217.378 4.26012 -217.378 -119.821 -1.51697 4.26032 -1.51629 -431.529 GPRESSURE: 4308200 -38.882 -157.762 39.4889 -263.603 -130.655 24.002 -30.6147 -21.2894 -376.102 PRESSAVG: 4308200 20.2124 -19.2041 -13.401 -19.204 20.6981 73.2543 -13.401 73.2543 -29.2391 GPRESSAVG: 4308200 21.5236 -18.6397 -14.2078 -20.0256 20.3761 71.2524 -13.1589 76.6733 -29.7167 TIMING: 4308200 CPU: 12472.8, 0.00288458/step Wall: 12472.8, 0.00288458/step, 0.55432 hours remaining, 211.125000 MB of memory in use. ENERGY: 4308200 753.8869 2056.3557 1955.9775 137.5953 -205467.5153 17341.3027 0.0000 0.0000 34295.1678 -148927.2293 299.5082 -183222.3972 -148833.9795 299.3509 -213.7585 -181.8796 557162.8775 3.8905 4.0610 LDB: ============= START OF LOAD BALANCING ============== 12476.2 LDB: ============== END OF LOAD BALANCING =============== 12476.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12476.2 LDB: ============= START OF LOAD BALANCING ============== 12476.5 LDB: Largest compute 4773 load 0.026656 is 22.6% of average load 0.117979 LDB: Average compute 0.001726 is 1.5% of average load 0.117979 LDB: TIME 12476.5 LOAD: AVG 0.117979 MAX 0.176843 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 12476.5 LOAD: AVG 0.117979 MAX 0.176843 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: TIME 12476.5 LOAD: AVG 0.117979 MAX 0.176843 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12476.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12476.5 PRESSURE: 4308400 8.43048 15.4424 9.28489 15.4422 107.702 41.7153 9.28506 41.7157 -73.207 GPRESSURE: 4308400 18.3371 71.026 0.154983 45.3846 148.808 60.3239 77.5093 42.2479 -37.5864 PRESSAVG: 4308400 52.8257 -53.5351 -16.5667 -53.5352 -24.2836 11.4454 -16.5667 11.4453 27.9366 GPRESSAVG: 4308400 51.7853 -52.7557 -16.335 -51.4219 -22.8939 13.1279 -13.5772 9.79497 28.0933 TIMING: 4308400 CPU: 12473.4, 0.00294938/step Wall: 12473.4, 0.00294938/step, 0.566608 hours remaining, 211.636719 MB of memory in use. ENERGY: 4308400 751.0730 2051.6069 1932.4040 110.9401 -205868.0377 17911.4899 0.0000 0.0000 34160.7348 -148949.7891 298.3342 -183110.5239 -148848.4995 299.8965 14.3084 43.1862 558364.2965 18.8262 18.9949 PRESSURE: 4308600 -161.926 81.579 -40.5728 81.5786 2.76271 70.9755 -40.5737 70.9734 -286.916 GPRESSURE: 4308600 -113.422 78.1712 -81.6935 72.9685 35.3986 40.1566 -85.4178 -2.97936 -266.361 PRESSAVG: 4308600 -59.5863 28.1364 9.16787 28.1364 37.4431 48.308 9.16796 48.308 103.504 GPRESSAVG: 4308600 -58.2227 27.0414 8.26146 26.0225 36.1692 46.1721 7.01803 48.2145 103.829 TIMING: 4308600 CPU: 12474, 0.00288444/step Wall: 12474, 0.00288444/step, 0.553973 hours remaining, 211.636719 MB of memory in use. ENERGY: 4308600 733.1635 2073.2036 1947.8174 116.8859 -205767.0892 17493.8820 0.0000 0.0000 34443.3556 -148958.7812 300.8024 -183402.1368 -148865.2744 300.0979 -148.6931 -114.7951 558295.6657 27.1202 27.2587 PRESSURE: 4308800 -205.768 -155.381 -25.3265 -155.382 -282.578 98.291 -25.3283 98.2906 -223.087 GPRESSURE: 4308800 -163.867 -182.743 -69.9967 -133.86 -271.558 41.9859 -3.78289 97.9525 -173.736 PRESSAVG: 4308800 33.5835 24.3311 14.7866 24.331 21.2028 24.4049 14.7867 24.4049 -49.1339 GPRESSAVG: 4308800 32.045 22.4447 15.3338 27.001 22.4441 23.1626 13.4466 25.9847 -48.8451 TIMING: 4308800 CPU: 12474.5, 0.00287879/step Wall: 12474.5, 0.00287879/step, 0.552728 hours remaining, 211.636719 MB of memory in use. ENERGY: 4308800 736.9153 2085.0392 1951.7377 120.7288 -206073.5567 17480.6642 0.0000 0.0000 34515.4813 -149182.9903 301.4323 -183698.4716 -149086.9545 300.0122 -237.1445 -203.0536 556677.6594 1.8841 1.8813 PRESSURE: 4309000 91.5332 78.3246 32.7114 78.3257 360.827 59.7667 32.712 59.7666 355.803 GPRESSURE: 4309000 125.035 99.0021 108.624 94.3971 426.935 -9.47934 67.4891 77.8302 353.305 PRESSAVG: 4309000 1.17357 7.39163 17.4464 7.39153 -1.0067 -59.6388 17.4464 -59.6389 -22.0427 GPRESSAVG: 4309000 2.4994 8.91119 16.8149 5.31361 -1.67233 -59.6161 16.9163 -60.9391 -22.8775 TIMING: 4309000 CPU: 12475.1, 0.00287239/step Wall: 12475.1, 0.00287239/step, 0.551339 hours remaining, 211.636719 MB of memory in use. ENERGY: 4309000 731.7696 2068.5647 1944.6644 118.9832 -206773.9606 18296.5278 0.0000 0.0000 34490.7003 -149122.7506 301.2159 -183613.4509 -149035.5275 300.1128 269.3878 301.7579 556040.2226 -7.2919 -7.3501 PRESSURE: 4309200 -7.61638 82.4027 6.675 82.4036 -165.297 44.2155 6.67573 44.2137 -242.363 GPRESSURE: 4309200 15.895 29.1555 -2.74355 105.448 -124.52 76.0008 -38.3089 21.605 -217.721 PRESSAVG: 4309200 10.5163 -14.3532 -20.1512 -14.3531 -8.13993 19.0679 -20.1513 19.0679 17.0915 GPRESSAVG: 4309200 9.91028 -13.1213 -19.2283 -16.0014 -8.8696 22.0987 -19.1503 18.4989 18.3998 TIMING: 4309200 CPU: 12475.7, 0.0028671/step Wall: 12475.7, 0.0028671/step, 0.550165 hours remaining, 211.636719 MB of memory in use. ENERGY: 4309200 737.7353 2107.3639 1951.8002 112.4814 -205935.9304 17541.8270 0.0000 0.0000 34087.7668 -149396.9558 297.6969 -183484.7226 -149295.2109 298.9043 -138.4254 -108.7821 556884.3602 6.4893 6.4802 PRESSURE: 4309400 -63.6961 164.554 46.1665 164.552 -130.16 -80.5395 46.1661 -80.5408 -74.2922 GPRESSURE: 4309400 -64.835 288.159 5.99652 111.248 -58.1765 -74.9585 22.3122 -68.2664 -51.6453 PRESSAVG: 4309400 -13.1195 40.2775 -25.013 40.2774 -24.6712 37.3962 -25.013 37.3963 -20.554 GPRESSAVG: 4309400 -13.3973 40.1634 -27.4914 41.2729 -23.6821 37.325 -24.2409 36.9465 -21.3592 TIMING: 4309400 CPU: 12476.3, 0.00288451/step Wall: 12476.3, 0.00288451/step, 0.553346 hours remaining, 211.636719 MB of memory in use. ENERGY: 4309400 741.9971 2051.0269 1961.2407 123.7188 -206021.7094 17596.9874 0.0000 0.0000 34290.9321 -149255.8064 299.4712 -183546.7385 -149158.6254 298.4347 -89.3827 -58.2189 557459.6097 -19.4482 -19.4795 PRESSURE: 4309600 -1.51157 46.3023 -27.6405 46.3038 260.752 -0.11251 -27.6397 -0.113568 -8.58586 GPRESSURE: 4309600 10.786 32.0354 -90.7169 63.939 349.24 -80.7509 -0.905156 145.393 -5.73308 PRESSAVG: 4309600 2.37474 33.1207 52.852 33.1206 40.332 0.0188305 52.852 0.0189004 -19.1342 GPRESSAVG: 4309600 2.55276 33.5882 56.5591 33.7411 40.3878 -0.764897 51.6776 1.09085 -19.4287 TIMING: 4309600 CPU: 12476.8, 0.00289964/step Wall: 12476.8, 0.00289964/step, 0.556086 hours remaining, 211.636719 MB of memory in use. ENERGY: 4309600 775.5816 2061.7037 1932.0782 102.4706 -205765.7109 17574.8839 0.0000 0.0000 34265.0103 -149053.9825 299.2449 -183318.9929 -148964.6462 299.7970 83.5516 118.0976 555445.4949 7.8575 7.8373 PRESSURE: 4309800 -63.0123 15.3815 131.664 15.3805 127.625 -100.048 131.665 -100.047 -56.2723 GPRESSURE: 4309800 -17.911 -25.859 93.7209 -6.33439 122.955 -86.3477 84.6249 -118.02 -9.31766 PRESSAVG: 4309800 -58.0871 16.8882 59.7139 16.8883 61.7793 43.418 59.714 43.418 -29.0551 GPRESSAVG: 4309800 -56.3745 17.2253 59.3419 17.0854 60.7725 44.0685 59.6092 43.9121 -29.2955 TIMING: 4309800 CPU: 12477.4, 0.00287751/step Wall: 12477.4, 0.00287751/step, 0.551682 hours remaining, 211.636719 MB of memory in use. ENERGY: 4309800 759.0396 2067.2277 1957.7300 112.2388 -206060.9249 17719.6969 0.0000 0.0000 34494.6700 -148950.3219 301.2505 -183444.9919 -148854.7587 299.7321 2.7801 31.9088 557637.7218 -8.4543 -8.2992 PRESSURE: 4310000 314.841 32.5066 131.118 32.5051 -89.3935 -59.3816 131.119 -59.3817 -131.637 GPRESSURE: 4310000 331.265 72.3751 102.101 71.0621 -57.9911 7.50099 90.6534 -68.8716 -99.0886 PRESSAVG: 4310000 18.3146 11.7209 -13.8973 11.7208 12.7685 -1.86131 -13.8973 -1.86127 -39.3563 GPRESSAVG: 4310000 16.1373 11.667 -16.8557 10.9142 15.7888 -2.84337 -12.6957 -2.4 -40.2041 TIMING: 4310000 CPU: 12478, 0.00288678/step Wall: 12478, 0.00288678/step, 0.5533 hours remaining, 211.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4310000 713.8030 2144.8942 1941.9993 98.5745 -206483.7640 17927.4359 0.0000 0.0000 34524.8405 -149132.2166 301.5140 -183657.0571 -149032.9792 299.7029 31.2702 58.0618 558247.9205 -2.7577 -2.7593 PRESSURE: 4310200 -52.0063 -38.6377 98.4495 -38.6384 -201.953 -99.545 98.4489 -99.5468 27.4879 GPRESSURE: 4310200 5.24615 -98.8033 13.673 -49.4909 -174.693 -45.8645 123.571 -37.3478 49.8682 PRESSAVG: 4310200 37.5803 -15.0904 61.3722 -15.0904 34.3015 22.3824 61.3722 22.3823 -47.8075 GPRESSAVG: 4310200 38.324 -16.3073 61.3801 -14.9626 32.1652 21.5003 64.4371 23.9482 -46.585 TIMING: 4310200 CPU: 12478.6, 0.00289521/step Wall: 12478.6, 0.00289521/step, 0.554755 hours remaining, 211.636719 MB of memory in use. ENERGY: 4310200 720.0400 2139.4706 1937.9958 113.5395 -205979.0208 17654.6987 0.0000 0.0000 34277.7712 -149135.5050 299.3563 -183413.2762 -149037.2982 299.2203 -75.4905 -39.8596 557917.9991 8.0247 7.9681 PRESSURE: 4310400 -21.8556 144.372 -134.244 144.372 -143.714 67.5704 -134.244 67.5689 -116.631 GPRESSURE: 4310400 54.8223 138.006 -190.931 99.2538 -143.019 133.86 -68.5437 142.948 -83.7338 PRESSAVG: 4310400 85.9416 38.7832 13.2588 38.7832 -40.8486 20.5287 13.2587 20.5288 -29.9634 GPRESSAVG: 4310400 85.9193 37.7086 14.6806 39.0561 -41.0943 19.4883 11.1143 19.93 -29.6003 TIMING: 4310400 CPU: 12479.2, 0.00287494/step Wall: 12479.2, 0.00287494/step, 0.55071 hours remaining, 211.636719 MB of memory in use. ENERGY: 4310400 731.1182 2125.5646 1933.5078 116.5022 -205874.6097 17714.9019 0.0000 0.0000 34211.3029 -149041.7121 298.7758 -183253.0150 -148937.5133 299.2864 -94.0669 -57.3103 557277.0500 5.0432 5.0749 PRESSURE: 4310600 -103.502 3.28552 0.00879894 3.2848 -3.30961 183.501 0.0096001 183.502 -46.7748 GPRESSURE: 4310600 -18.3067 57.125 50.1198 -80.2561 -20.2926 76.8287 12.7866 316.767 -22.7129 PRESSAVG: 4310600 -34.787 -3.85072 57.8442 -3.85066 40.4588 12.1815 57.8442 12.1815 -18.4317 GPRESSAVG: 4310600 -35.2189 -2.96015 58.7716 -3.19538 40.1332 12.312 56.1934 12.3488 -17.7637 TIMING: 4310600 CPU: 12479.7, 0.00286298/step Wall: 12479.7, 0.00286298/step, 0.548261 hours remaining, 211.636719 MB of memory in use. ENERGY: 4310600 740.4176 2089.7975 1908.7921 109.0197 -206109.8572 17596.4432 0.0000 0.0000 34546.5572 -149118.8300 301.7037 -183665.3871 -149026.2613 300.1926 -51.1954 -20.4374 557368.5934 -4.2533 -4.2831 PRESSURE: 4310800 111.545 -74.3752 -11.7741 -74.3753 141.258 -68.0464 -11.7756 -68.0461 -220.469 GPRESSURE: 4310800 170.123 -58.1838 96.4578 -71.8178 208.036 -10.9205 -51.5911 -17.9213 -259.776 PRESSAVG: 4310800 42.5573 1.18231 -11.2978 1.18234 -14.5748 43.5637 -11.2979 43.5637 3.30819 GPRESSAVG: 4310800 43.3708 0.417224 -11.4279 0.828597 -14.891 43.2607 -10.9076 42.6268 2.4718 TIMING: 4310800 CPU: 12480.3, 0.00289138/step Wall: 12480.3, 0.00289138/step, 0.553538 hours remaining, 211.636719 MB of memory in use. ENERGY: 4310800 715.1124 2148.2927 1919.8570 107.8873 -206199.2797 17737.3764 0.0000 0.0000 34169.0660 -149401.6880 298.4070 -183570.7540 -149311.8037 298.8966 10.7781 39.4607 557796.4222 10.4302 10.3172 PRESSURE: 4311000 -27.3382 -19.6625 -146.58 -19.6605 -23.6993 4.62182 -146.579 4.62257 -141.761 GPRESSURE: 4311000 -11.7079 32.6739 -183.004 -13.5605 -2.39787 -0.296862 -127.322 9.32572 -82.8788 PRESSAVG: 4311000 -82.2765 24.2768 -40.2471 24.2768 20.9986 11.9774 -40.2471 11.9774 35.7759 GPRESSAVG: 4311000 -82.9706 25.5477 -41.9436 23.822 22.0974 12.5075 -38.0885 14.967 35.8066 TIMING: 4311000 CPU: 12480.9, 0.00290232/step Wall: 12480.9, 0.00290232/step, 0.555472 hours remaining, 211.636719 MB of memory in use. ENERGY: 4311000 738.1138 2107.1613 1947.1502 122.6016 -206276.5012 17781.2822 0.0000 0.0000 34015.8926 -149564.2995 297.0693 -183580.1920 -149471.8489 298.3706 -64.2662 -32.3282 558419.4709 -8.5006 -8.3555 PRESSURE: 4311200 -420.282 68.3379 103.91 68.3378 -23.6954 -111.769 103.91 -111.769 -10.4734 GPRESSURE: 4311200 -342.455 174.948 34.3693 47.9696 -72.4478 -118.055 176.132 -75.5168 67.6609 PRESSAVG: 4311200 9.02277 1.25288 -22.3821 1.2529 -38.1064 -20.5607 -22.3821 -20.5607 16.3633 GPRESSAVG: 4311200 9.24818 0.8299 -22.0652 0.794768 -38.1537 -20.4964 -24.3684 -21.7276 16.4206 TIMING: 4311200 CPU: 12481.5, 0.00289248/step Wall: 12481.5, 0.00289248/step, 0.553428 hours remaining, 211.636719 MB of memory in use. ENERGY: 4311200 758.8108 2089.6645 1946.6362 100.0675 -206106.0611 17609.6696 0.0000 0.0000 33881.2572 -149719.9553 295.8934 -183601.2125 -149624.5983 297.7198 -151.4835 -115.7474 557378.9607 -4.2401 -4.1617 PRESSURE: 4311400 -182.712 -22.1759 -28.5614 -22.1752 -62.5349 161.066 -28.5621 161.067 -150.925 GPRESSURE: 4311400 -160.642 -72.6075 -22.7252 -4.66392 -7.92343 139.619 5.16119 71.3652 -118.689 PRESSAVG: 4311400 -49.8854 9.76917 25.0801 9.76917 43.2562 -23.4713 25.0801 -23.4713 -12.7386 GPRESSAVG: 4311400 -48.5158 10.163 24.5293 11.24 41.8255 -21.8747 26.2654 -26.0217 -12.5539 TIMING: 4311400 CPU: 12482, 0.00288419/step Wall: 12482, 0.00288419/step, 0.551681 hours remaining, 211.636719 MB of memory in use. ENERGY: 4311400 751.8682 2101.6777 1937.8200 114.8825 -206093.9358 17649.0349 0.0000 0.0000 34095.3482 -149443.3042 297.7632 -183538.6524 -149343.9346 298.1247 -132.0574 -95.7512 557895.2094 -6.4559 -6.4147 PRESSURE: 4311600 -54.5562 167.636 -78.7694 167.636 -83.3207 -32.7593 -78.7707 -32.7609 -181.865 GPRESSURE: 4311600 -26.3234 162.285 -79.3842 143.949 -63.1277 32.7585 34.2996 -92.8547 -149.568 PRESSAVG: 4311600 25.5305 -25.2201 -0.749271 -25.2201 -25.9782 -7.66535 -0.749335 -7.66538 -16.7993 GPRESSAVG: 4311600 24.8194 -26.2719 1.50558 -26.4855 -24.858 -7.60036 -0.312606 -7.8246 -17.2667 TIMING: 4311600 CPU: 12482.6, 0.00288552/step Wall: 12482.6, 0.00288552/step, 0.551775 hours remaining, 211.636719 MB of memory in use. ENERGY: 4311600 779.8029 2056.3759 1954.4858 110.5662 -206311.6382 17659.0229 0.0000 0.0000 34299.0460 -149452.3384 299.5421 -183751.3844 -149359.9519 298.6395 -106.5805 -79.6732 555581.4246 -5.7490 -5.7684 PRESSURE: 4311800 -109.476 -11.0528 -95.6478 -11.0523 -249.422 -108.274 -95.6474 -108.275 -121.225 GPRESSURE: 4311800 -67.1298 -55.9718 -40.4033 61.6557 -239.85 -98.5316 -102.234 -82.0984 -74.278 PRESSAVG: 4311800 14.7188 0.932723 65.432 0.932709 39.5352 13.464 65.4321 13.4641 -3.4005 GPRESSAVG: 4311800 13.1898 0.263182 64.7735 1.84667 41.1092 14.4703 65.7551 15.3183 -2.91905 TIMING: 4311800 CPU: 12483.2, 0.00288392/step Wall: 12483.2, 0.00288392/step, 0.551309 hours remaining, 211.636719 MB of memory in use. ENERGY: 4311800 750.6504 2070.9633 1953.9506 111.5130 -206021.8202 17478.2744 0.0000 0.0000 34171.5376 -149484.9310 298.4285 -183656.4686 -149388.5440 299.0819 -160.0407 -127.0861 555198.5783 16.9512 17.1266 PRESSURE: 4312000 -28.6445 -12.6165 -44.0667 -12.6172 131.009 -3.45572 -44.0674 -3.45544 66.6272 GPRESSURE: 4312000 31.8194 11.1134 -65.4166 34.1803 139.817 -20.9024 -24.199 56.6508 114.609 PRESSAVG: 4312000 62.5211 -6.41232 48.9001 -6.41241 -26.2581 50.8445 48.8999 50.8444 -5.49637 GPRESSAVG: 4312000 64.5991 -4.13479 47.2032 -6.93757 -27.4125 49.8703 48.9683 48.3221 -6.37553 TIMING: 4312000 CPU: 12483.8, 0.00287918/step Wall: 12483.8, 0.00287918/step, 0.550243 hours remaining, 211.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4312000 719.5485 2054.8323 1921.5548 121.4104 -206333.0763 17836.1505 0.0000 0.0000 34291.6566 -149387.9233 299.4776 -183679.5799 -149291.5402 299.0337 56.3306 95.4152 556255.1035 10.2556 10.2704 PRESSURE: 4312200 149.322 90.3293 -49.6754 90.3301 -164.885 -33.9828 -49.6754 -33.9832 187.767 GPRESSURE: 4312200 173.961 144.652 -163.793 82.197 -126.106 -37.1227 -55.5879 -15.0769 207.614 PRESSAVG: 4312200 -7.01611 0.484665 15.3895 0.484684 55.8964 -19.1058 15.3894 -19.1058 -75.3603 GPRESSAVG: 4312200 -8.25874 -1.96086 18.8998 -0.164098 55.922 -20.2814 13.324 -17.8756 -74.6089 TIMING: 4312200 CPU: 12484.4, 0.00291454/step Wall: 12484.4, 0.00291454/step, 0.556838 hours remaining, 211.636719 MB of memory in use. ENERGY: 4312200 766.1381 2102.3224 1930.1627 117.5936 -206774.9684 18063.4422 0.0000 0.0000 34507.3189 -149287.9906 301.3610 -183795.3095 -149193.6032 299.6087 57.4014 85.1561 555049.9597 -8.8266 -8.9819 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 4773 load 0.026494 is 22.4% of average load 0.118068 LDB: Average compute 0.001726 is 1.5% of average load 0.118068 LDB: TIME 12488 LOAD: AVG 0.118068 MAX 0.180109 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.184 MB LDB: TIME 12488 LOAD: AVG 0.118068 MAX 0.180109 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.184 MB LDB: TIME 12488 LOAD: AVG 0.118068 MAX 0.180109 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.184 MB LDB: Reverting to original mapping 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: 4312400 194.261 -30.9916 81.1067 -30.9919 -149.196 -149.916 81.1064 -149.916 18.8324 GPRESSURE: 4312400 203.268 55.7517 126.643 22.571 -146.274 -193.365 39.1999 -109.953 102.803 PRESSAVG: 4312400 79.8953 -37.7738 77.8875 -37.7738 -40.9871 17.4691 77.8873 17.469 -57.3605 GPRESSAVG: 4312400 79.8597 -37.1435 75.2802 -35.6276 -41.756 16.7631 79.4756 16.8722 -56.3782 TIMING: 4312400 CPU: 12484.9, 0.00294983/step Wall: 12484.9, 0.00294983/step, 0.563418 hours remaining, 211.191406 MB of memory in use. ENERGY: 4312400 757.9715 2100.5367 1932.2630 123.6871 -206536.3430 18075.1466 0.0000 0.0000 34164.3565 -149382.3817 298.3658 -183546.7381 -149293.3668 299.6409 21.2993 53.2656 556958.1995 -6.1508 -6.0915 PRESSURE: 4312600 -235.743 -67.7585 94.2619 -67.759 -164.214 131.256 94.2616 131.256 -283.827 GPRESSURE: 4312600 -149.689 -66.6423 140.342 -38.7211 -181.475 84.2234 1.02089 119.657 -251.208 PRESSAVG: 4312600 121.361 -46.1635 4.40769 -46.1634 -78.5311 -19.9215 4.40764 -19.9214 20.2586 GPRESSAVG: 4312600 120.597 -45.8111 4.72529 -49.405 -76.6255 -18.4797 3.39404 -19.9383 18.9642 TIMING: 4312600 CPU: 12485.5, 0.00288889/step Wall: 12485.5, 0.00288889/step, 0.551617 hours remaining, 211.394531 MB of memory in use. ENERGY: 4312600 755.6481 2056.1744 1926.4087 131.0022 -206018.0071 17554.9678 0.0000 0.0000 34172.7553 -149421.0507 298.4392 -183593.8060 -149320.5083 299.7957 -227.9281 -194.1242 558065.6394 21.0295 20.9786 PRESSURE: 4312800 194.365 -18.8712 -32.9974 -18.8709 16.4398 -46.0682 -32.9988 -46.0698 560.29 GPRESSURE: 4312800 251.077 -8.36139 -109.287 -50.9287 45.0077 -53.8441 -105.761 -66.731 567.13 PRESSAVG: 4312800 32.878 -1.82365 -34.9314 -1.82362 -18.9828 27.5372 -34.9315 27.5374 10.3587 GPRESSAVG: 4312800 33.0011 -3.6617 -31.0302 -0.0798527 -19.6268 26.2817 -36.937 28.2347 10.6332 TIMING: 4312800 CPU: 12486.1, 0.00287809/step Wall: 12486.1, 0.00287809/step, 0.549395 hours remaining, 211.394531 MB of memory in use. ENERGY: 4312800 726.1540 2063.1200 1957.3413 104.6335 -206944.7059 18220.5906 0.0000 0.0000 34430.3785 -149442.4880 300.6891 -183872.8664 -149348.0589 299.5991 257.0315 287.7384 556641.1422 8.0847 8.0025 PRESSURE: 4313000 -19.8878 -97.564 206.494 -97.5643 -149.075 -59.774 206.494 -59.7728 -16.7445 GPRESSURE: 4313000 59.3665 -2.19554 266.228 -158.317 -84.8195 -105.073 188.605 5.30209 -60.6163 PRESSAVG: 4313000 45.7443 -35.8359 -37.8569 -35.8359 -69.0585 -14.5622 -37.8569 -14.5622 81.7051 GPRESSAVG: 4313000 46.5708 -33.732 -39.9821 -36.9953 -69.3827 -13.1032 -37.873 -14.1162 81.6126 TIMING: 4313000 CPU: 12486.7, 0.0028778/step Wall: 12486.7, 0.0028778/step, 0.54918 hours remaining, 211.394531 MB of memory in use. ENERGY: 4313000 742.9462 2076.2211 1965.0213 110.0334 -206474.0067 17876.1646 0.0000 0.0000 34354.3517 -149349.2683 300.0251 -183703.6200 -149254.9494 299.5394 -61.9024 -28.6898 558665.5909 19.4637 19.6002 PRESSURE: 4313200 -4.11225 4.13562 121.366 4.13722 -31.2831 180.234 121.366 180.235 -37.0004 GPRESSURE: 4313200 28.2336 -75.3681 148.613 -49.3833 23.476 211.341 71.1986 144.671 -25.5934 PRESSAVG: 4313200 53.297 15.1256 46.1665 15.1256 -1.85044 7.37883 46.1666 7.37881 -46.3586 GPRESSAVG: 4313200 53.1663 14.364 47.1232 14.0741 -0.646672 7.38555 47.3056 5.28756 -47.0131 TIMING: 4313200 CPU: 12487.2, 0.00287316/step Wall: 12487.2, 0.00287316/step, 0.548136 hours remaining, 211.394531 MB of memory in use. ENERGY: 4313200 762.4028 2074.4361 1937.8795 123.2313 -206594.0885 17938.8307 0.0000 0.0000 34447.9733 -149309.3348 300.8427 -183757.3081 -149213.5467 299.1642 -24.1319 8.7054 557404.2363 1.6960 1.8355 PRESSURE: 4313400 -37.3876 -148.105 -54.176 -148.105 -52.6322 -17.4321 -54.1765 -17.432 -169.925 GPRESSURE: 4313400 -15.2512 -107.777 -94.7932 -172.78 -30.9208 -3.34959 -52.1699 33.8816 -125.408 PRESSAVG: 4313400 70.5026 18.0986 58.0539 18.0986 -10.6395 -45.0457 58.0538 -45.0459 -52.4103 GPRESSAVG: 4313400 70.842 19.728 56.4042 20.1138 -11.4174 -46.6796 59.1662 -42.6262 -52.4387 TIMING: 4313400 CPU: 12487.8, 0.00285442/step Wall: 12487.8, 0.00285442/step, 0.544401 hours remaining, 211.394531 MB of memory in use. ENERGY: 4313400 790.6235 2114.9064 1950.2512 122.2224 -206291.3109 17730.3121 0.0000 0.0000 34324.4702 -149258.5251 299.7641 -183582.9953 -149158.5091 299.7129 -86.6482 -57.1932 557893.1900 2.4843 2.3286 PRESSURE: 4313600 -225.16 -53.24 130.767 -53.239 -231.979 -222.263 130.766 -222.263 -176.446 GPRESSURE: 4313600 -170.592 -69.5916 110.886 -43.1558 -190.859 -194.958 209.921 -269.636 -184.611 PRESSAVG: 4313600 9.71363 -0.149638 38.5797 -0.149714 30.2561 1.00877 38.5798 1.00884 -40.2017 GPRESSAVG: 4313600 8.15733 -2.96726 39.8455 -0.476885 30.9513 0.878503 38.6654 0.304347 -40.4797 TIMING: 4313600 CPU: 12488.4, 0.00286818/step Wall: 12488.4, 0.00286818/step, 0.546867 hours remaining, 211.394531 MB of memory in use. ENERGY: 4313600 780.0657 2055.9119 1955.0037 123.1593 -205765.2923 17518.5824 0.0000 0.0000 34166.8532 -149165.7161 298.3876 -183332.5693 -149071.4497 299.2718 -211.1949 -182.0207 559479.4657 -0.0773 -0.4570 PRESSURE: 4313800 -220.345 -173.862 -139.517 -173.861 152.241 -98.5341 -139.519 -98.5336 -0.124926 GPRESSURE: 4313800 -184.708 -90.8798 -80.5801 -146.974 204.003 -134.694 -177.496 -142.225 11.8032 PRESSAVG: 4313800 -1.99088 14.9444 47.097 14.9445 54.0631 -77.1106 47.0969 -77.1105 -43.5353 GPRESSAVG: 4313800 -1.81822 16.7139 46.2805 16.4887 53.1831 -79.8255 46.752 -76.8646 -42.9641 TIMING: 4313800 CPU: 12489, 0.00287955/step Wall: 12489, 0.00287955/step, 0.548875 hours remaining, 211.394531 MB of memory in use. ENERGY: 4313800 723.3311 2117.1463 1920.8901 115.7143 -206243.4731 17720.0782 0.0000 0.0000 34268.3368 -149377.9765 299.2739 -183646.3132 -149283.1309 298.7967 -22.7431 10.3659 555997.6470 2.8456 2.8002 PRESSURE: 4314000 -55.3139 77.4184 64.1236 77.4174 1.12559 11.8734 64.1235 11.8706 -188.071 GPRESSURE: 4314000 46.5939 141.434 104.995 25.2829 -13.5338 58.1093 0.453531 34.6393 -189.897 PRESSAVG: 4314000 -45.1611 15.0999 29.0298 15.1 98.1424 -23.0717 29.0298 -23.0718 -25.8903 GPRESSAVG: 4314000 -44.8088 14.104 27.8396 13.3945 97.1126 -18.1076 29.9051 -24.319 -25.8716 TIMING: 4314000 CPU: 12489.5, 0.00288474/step Wall: 12489.5, 0.00288474/step, 0.549703 hours remaining, 211.394531 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: 4314000 793.4513 2067.2986 1950.1956 121.6649 -206447.0962 17729.3523 0.0000 0.0000 34369.5356 -149415.5977 300.1577 -183785.1334 -149324.7792 298.8566 -80.7532 -52.2790 556343.8553 9.0303 8.8107 PRESSURE: 4314200 442.556 -76.8317 -22.551 -76.8313 30.4441 114.127 -22.5515 114.129 -39.3909 GPRESSURE: 4314200 431.725 -78.1498 79.8137 -4.84797 99.5384 190.888 -70.133 68.7262 -8.80917 PRESSAVG: 4314200 29.356 20.4585 -13.5412 20.4586 19.0086 -34.4272 -13.5412 -34.4272 -43.5147 GPRESSAVG: 4314200 29.1173 20.3421 -10.6915 21.4548 18.9876 -34.955 -15.0981 -34.4056 -43.7191 TIMING: 4314200 CPU: 12490.1, 0.00288006/step Wall: 12490.1, 0.00288006/step, 0.548651 hours remaining, 211.394531 MB of memory in use. ENERGY: 4314200 742.6231 2161.9423 1944.2562 120.6298 -206387.4172 17921.1542 0.0000 0.0000 34218.4813 -149278.3303 298.8385 -183496.8116 -149186.3698 298.8862 144.5365 174.1514 556079.5350 1.6166 1.4619 PRESSURE: 4314400 48.7423 90.8765 26.4811 90.8761 -0.2263 22.6043 26.4816 22.6042 194.259 GPRESSURE: 4314400 53.0146 46.5768 -50.4152 80.1512 40.7674 63.9268 190.783 -5.22347 242.44 PRESSAVG: 4314400 -12.6266 38.0501 -15.2838 38.0502 27.2218 21.9205 -15.2839 21.9203 -35.4963 GPRESSAVG: 4314400 -12.2737 37.7668 -16.7947 37.0457 27.0805 21.7824 -15.6144 24.1758 -35.5346 TIMING: 4314400 CPU: 12490.7, 0.00288193/step Wall: 12490.7, 0.00288193/step, 0.548848 hours remaining, 211.394531 MB of memory in use. ENERGY: 4314400 715.7329 2094.1388 1929.5331 117.3216 -206032.7418 17722.7211 0.0000 0.0000 34321.0436 -149132.2507 299.7342 -183453.2943 -149036.4802 299.3238 80.9249 112.0739 557348.4063 -6.9670 -6.9092 PRESSURE: 4314600 -111.761 35.0522 19.5446 35.0516 0.113907 48.972 19.5445 48.9703 -220.733 GPRESSURE: 4314600 -37.8075 35.4094 28.4331 15.4308 11.2927 44.4234 -7.78691 77.0499 -206.912 PRESSAVG: 4314600 1.0844 27.3549 -17.8306 27.3548 37.6539 41.6353 -17.8306 41.6351 -16.6016 GPRESSAVG: 4314600 0.991261 27.9813 -18.8866 27.1092 37.3906 40.8447 -15.8886 41.3748 -16.4591 TIMING: 4314600 CPU: 12491.3, 0.002855/step Wall: 12491.3, 0.002855/step, 0.54356 hours remaining, 211.394531 MB of memory in use. ENERGY: 4314600 697.6022 2096.6884 1915.3789 110.7643 -206042.2087 17633.5859 0.0000 0.0000 34251.1836 -149337.0054 299.1241 -183588.1890 -149236.3056 299.7609 -110.7935 -77.8088 557260.5513 7.3789 7.3076 PRESSURE: 4314800 -171.43 -58.137 -68.652 -58.1367 -173.764 -77.9821 -68.6522 -77.9834 -168.335 GPRESSURE: 4314800 -162.709 -0.00330024 -98.7629 -132.772 -121.415 -84.6234 -62.1982 -73.0648 -128.064 PRESSAVG: 4314800 19.7615 31.8668 0.502673 31.8669 -2.35192 -6.16889 0.502628 -6.16874 -6.56756 GPRESSAVG: 4314800 20.152 29.456 3.97099 34.2442 -3.1254 -5.39772 -1.23452 -8.83532 -6.27378 TIMING: 4314800 CPU: 12491.8, 0.00288511/step Wall: 12491.8, 0.00288511/step, 0.549133 hours remaining, 211.394531 MB of memory in use. ENERGY: 4314800 714.9417 2077.6989 1939.9667 110.2157 -205914.8580 17588.1122 0.0000 0.0000 34274.0320 -149209.8908 299.3236 -183483.9227 -149117.3901 299.2678 -171.1763 -137.3957 557641.8946 3.6140 3.5843 PRESSURE: 4315000 -187.19 98.9654 -93.5976 98.9641 30.081 -46.0739 -93.5967 -46.0739 -58.0898 GPRESSURE: 4315000 -173.149 135.065 -49.3002 33.4165 42.3547 -66.092 -184.195 -13.5959 4.16047 PRESSAVG: 4315000 39.6832 26.8098 -41.7913 26.8098 36.6278 9.87723 -41.7912 9.87722 -25.8794 GPRESSAVG: 4315000 38.2655 30.6211 -44.5859 24.6753 37.0614 8.79517 -43.0987 11.0936 -25.2238 TIMING: 4315000 CPU: 12492.4, 0.00290403/step Wall: 12492.4, 0.00290403/step, 0.552572 hours remaining, 211.394531 MB of memory in use. ENERGY: 4315000 720.2784 2091.4477 1967.4673 98.8843 -205913.2747 17593.0101 0.0000 0.0000 34298.4263 -149143.7606 299.5367 -183442.1869 -149049.3316 299.6710 -71.7330 -42.2111 556985.6619 16.8105 16.7010 PRESSURE: 4315200 -129.729 57.6551 39.5493 57.6549 -41.0105 38.5911 39.5474 38.5923 -96.1379 GPRESSURE: 4315200 -51.4739 -27.0846 17.7284 -29.0177 9.4783 51.38 102.511 56.8981 -114.927 PRESSAVG: 4315200 4.17592 -3.5616 -9.82655 -3.56155 -18.5802 29.8873 -9.82659 29.8873 -30.206 GPRESSAVG: 4315200 4.56472 -5.6561 -8.60125 -3.09042 -17.6903 30.3159 -7.1143 29.4196 -31.8753 TIMING: 4315200 CPU: 12493, 0.00287641/step Wall: 12493, 0.00287641/step, 0.547158 hours remaining, 211.394531 MB of memory in use. ENERGY: 4315200 791.7760 2052.0355 1933.1097 117.9211 -205703.7087 17615.7693 0.0000 0.0000 34101.8226 -149091.2746 297.8197 -183193.0973 -148984.5130 299.5810 -88.9592 -52.3075 556931.5047 -14.8701 -15.0003 PRESSURE: 4315400 319.741 -158.664 -106.031 -158.664 -85.7569 -6.37371 -106.032 -6.3728 20.8906 GPRESSURE: 4315400 330.298 -159.642 -193.159 -188.658 -38.796 -69.3015 -59.3318 -46.4298 62.4343 PRESSAVG: 4315400 44.1507 -37.6187 1.7261 -37.6187 -94.047 22.1589 1.72612 22.1588 56.8622 GPRESSAVG: 4315400 44.0287 -39.1314 1.51703 -36.854 -93.8007 22.2206 1.15258 25.0482 57.2333 TIMING: 4315400 CPU: 12493.6, 0.00289254/step Wall: 12493.6, 0.00289254/step, 0.550065 hours remaining, 211.394531 MB of memory in use. ENERGY: 4315400 713.6916 2105.8586 1914.7797 112.1924 -206105.5853 17761.6073 0.0000 0.0000 34401.2262 -149096.2293 300.4345 -183497.4556 -148995.0390 299.1428 84.9583 117.9789 555872.3683 2.3220 2.4871 PRESSURE: 4315600 -56.0927 73.4966 -140.797 73.4984 -244.005 177.735 -140.798 177.734 40.2826 GPRESSURE: 4315600 -62.6363 129.671 -172.577 16.1883 -196.357 137.652 -149.991 137.167 99.5592 PRESSAVG: 4315600 36.8432 -19.2262 -9.82117 -19.2261 -25.1772 29.2806 -9.82119 29.2806 8.15238 GPRESSAVG: 4315600 37.0168 -16.8034 -9.81124 -21.4086 -26.1072 28.8665 -9.19799 26.5933 9.04445 TIMING: 4315600 CPU: 12494.2, 0.00288919/step Wall: 12494.2, 0.00288919/step, 0.549267 hours remaining, 211.394531 MB of memory in use. ENERGY: 4315600 765.8075 2075.4419 1967.4749 119.3775 -206150.1099 17839.0263 0.0000 0.0000 34206.7706 -149176.2112 298.7362 -183382.9818 -149081.6116 298.9684 -86.6051 -53.1447 558818.8031 6.6061 6.6513 PRESSURE: 4315800 15.0964 -131.216 23.3682 -131.216 -31.4214 -132.801 23.3682 -132.801 90.1046 GPRESSURE: 4315800 53.3467 -140.192 -70.5289 -101.708 69.736 -148.25 67.9686 -107.903 47.2189 PRESSAVG: 4315800 -37.3565 -42.8427 -13.0027 -42.8426 -58.3211 22.4446 -13.0028 22.4445 60.289 GPRESSAVG: 4315800 -36.6267 -42.6204 -14.7723 -42.6444 -57.5183 23.3698 -12.0186 22.9652 59.1153 TIMING: 4315800 CPU: 12494.7, 0.002922/step Wall: 12494.7, 0.002922/step, 0.555343 hours remaining, 211.394531 MB of memory in use. ENERGY: 4315800 747.4219 2071.3326 1947.4062 115.4211 -205796.8968 17791.5179 0.0000 0.0000 34219.5631 -148904.2339 298.8480 -183123.7970 -148806.5506 299.4499 24.5932 56.7672 558641.1420 -11.7962 -11.6766 PRESSURE: 4316000 62.9845 -84.9053 -18.2375 -84.9061 -91.661 -61.4717 -18.2372 -61.4722 -212.343 GPRESSURE: 4316000 134.433 -190.151 -20.1719 -30.645 -56.2796 -44.0218 -41.287 -91.6564 -209.045 PRESSAVG: 4316000 -10.2831 -36.0247 -31.7926 -36.0247 -2.93567 6.82479 -31.7926 6.82488 24.456 GPRESSAVG: 4316000 -9.71776 -36.9603 -30.7666 -33.7416 -2.97843 4.61289 -34.2151 8.2816 24.455 TIMING: 4316000 CPU: 12495.3, 0.00290745/step Wall: 12495.3, 0.00290745/step, 0.552416 hours remaining, 211.394531 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: 4316000 743.2872 2073.6658 1933.8825 108.0450 -205688.4846 17592.2769 0.0000 0.0000 34262.0392 -148975.2881 299.2189 -183237.3273 -148879.3126 299.8124 -80.3399 -43.6307 558039.0459 3.7458 3.9196 PRESSURE: 4316200 61.1405 41.9325 32.3337 41.9313 53.7021 10.3484 32.3337 10.3488 -273.111 GPRESSURE: 4316200 49.1461 14.075 -15.2526 56.3289 67.6315 22.5219 98.7544 28.3287 -198.999 PRESSAVG: 4316200 73.229 13.4185 -14.3002 13.4185 -18.3043 -35.5365 -14.3003 -35.5364 -45.3113 GPRESSAVG: 4316200 72.1604 15.5089 -16.0585 11.3426 -18.382 -33.8541 -11.636 -37.4736 -44.1184 TIMING: 4316200 CPU: 12495.9, 0.00287825/step Wall: 12495.9, 0.00287825/step, 0.546707 hours remaining, 211.394531 MB of memory in use. ENERGY: 4316200 750.8823 2038.2904 1953.4486 114.0590 -206102.4151 17794.1675 0.0000 0.0000 34365.5876 -149085.9797 300.1232 -183451.5673 -148986.5838 299.6577 -52.7562 -27.4071 557014.5527 3.2045 3.2200 LDB: ============= START OF LOAD BALANCING ============== 12499.3 LDB: ============== END OF LOAD BALANCING =============== 12499.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12499.3 LDB: ============= START OF LOAD BALANCING ============== 12499.6 LDB: Largest compute 4773 load 0.025299 is 21.4% of average load 0.118019 LDB: Average compute 0.001730 is 1.5% of average load 0.118019 LDB: TIME 12499.6 LOAD: AVG 0.118019 MAX 0.178902 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 12499.6 LOAD: AVG 0.118019 MAX 0.178902 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.867 MB LDB: TIME 12499.6 LOAD: AVG 0.118019 MAX 0.178902 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12499.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12499.6 PRESSURE: 4316400 -132.846 169.294 -55.8513 169.294 -162.299 35.3383 -55.8505 35.3385 122.751 GPRESSURE: 4316400 -56.0396 134.193 -85.4463 279.55 -170.927 88.3087 -88.1275 44.684 151.426 PRESSAVG: 4316400 37.8289 15.6641 -21.6191 15.6642 -26.2362 16.3333 -21.6191 16.3334 -35.8442 GPRESSAVG: 4316400 38.4149 14.5984 -19.5782 16.8053 -26.0685 15.7915 -22.9195 18.3759 -36.1165 TIMING: 4316400 CPU: 12496.5, 0.00294749/step Wall: 12496.5, 0.00294749/step, 0.559696 hours remaining, 210.867188 MB of memory in use. ENERGY: 4316400 738.7785 2091.9568 1951.2861 100.8280 -205689.8471 17552.2388 0.0000 0.0000 34135.6060 -149119.1529 298.1147 -183254.7589 -149022.6400 299.2692 -57.4643 -25.1803 557640.1270 -8.0838 -7.9234 PRESSURE: 4316600 -79.0077 109.769 -8.89746 109.768 121.516 199.554 -8.89628 199.554 327.74 GPRESSURE: 4316600 -47.0766 104.465 70.6002 71.7035 117.398 168.507 -43.0867 186.588 403.352 PRESSAVG: 4316600 20.1388 29.5206 -21.2266 29.5206 6.42301 102.633 -21.2266 102.633 46.0213 GPRESSAVG: 4316600 20.2773 28.8541 -20.6157 29.3268 5.99021 101.147 -24.765 101.87 46.8939 TIMING: 4316600 CPU: 12497.1, 0.00289436/step Wall: 12497.1, 0.00289436/step, 0.549445 hours remaining, 210.867188 MB of memory in use. ENERGY: 4316600 733.7032 2093.9263 1971.5128 107.0235 -206551.7098 18015.5924 0.0000 0.0000 34356.8144 -149273.1372 300.0466 -183629.9516 -149180.6486 299.4543 123.4161 157.8911 555357.8331 24.1944 24.3871 PRESSURE: 4316800 22.188 209.943 -84.3964 209.944 -31.7327 -127.204 -84.3967 -127.205 290.202 GPRESSURE: 4316800 77.0729 306.299 -65.0729 147.929 3.71919 -99.5365 -20.5744 -120.034 292.79 PRESSAVG: 4316800 -32.5294 34.2374 -16.5154 34.2374 46.0788 32.6894 -16.5154 32.6894 -26.0215 GPRESSAVG: 4316800 -32.56 34.4716 -16.073 34.1157 46.1134 32.923 -14.9765 30.0152 -26.6176 TIMING: 4316800 CPU: 12497.6, 0.0028934/step Wall: 12497.6, 0.0028934/step, 0.549102 hours remaining, 210.867188 MB of memory in use. ENERGY: 4316800 712.5743 2028.4700 1930.9952 104.9477 -205837.0939 17772.1015 0.0000 0.0000 34243.8695 -149044.1355 299.0602 -183288.0051 -148945.8697 299.2843 93.5525 124.5275 556484.0952 -4.1574 -4.3547 PRESSURE: 4317000 307.977 -11.7694 1.86284 -11.769 -61.5016 32.654 1.86392 32.6551 85.3485 GPRESSURE: 4317000 338.309 -41.1185 -36.5511 18.0686 9.53185 43.2783 -10.555 -6.11582 79.7055 PRESSAVG: 4317000 33.0519 26.7665 4.16074 26.7665 -19.0484 -25.3814 4.16085 -25.3813 -19.6387 GPRESSAVG: 4317000 34.1379 24.2477 1.10188 28.3262 -19.24 -25.0699 6.14632 -24.0187 -20.1474 TIMING: 4317000 CPU: 12498.2, 0.00288472/step Wall: 12498.2, 0.00288472/step, 0.547295 hours remaining, 210.867188 MB of memory in use. ENERGY: 4317000 749.4174 2063.7207 1913.7888 110.5084 -206088.4530 17785.9742 0.0000 0.0000 34457.0432 -149008.0003 300.9219 -183465.0435 -148916.7911 299.7069 110.6079 142.5153 555552.1740 -1.8784 -1.7498 PRESSURE: 4317200 155.321 -80.9132 -162.365 -80.9131 -56.4544 -9.41383 -162.367 -9.41425 -58.5522 GPRESSURE: 4317200 143.67 -76.8815 -152.18 -105.741 -15.3074 -39.6071 -168.237 -48.8709 3.50525 PRESSAVG: 4317200 -7.33711 21.8395 -9.35563 21.8396 -5.41023 -21.7911 -9.35557 -21.7911 38.1791 GPRESSAVG: 4317200 -9.30301 24.4167 -8.37591 20.2911 -3.55843 -20.8968 -8.85393 -23.399 38.0558 TIMING: 4317200 CPU: 12498.8, 0.00290218/step Wall: 12498.8, 0.00290218/step, 0.550446 hours remaining, 210.867188 MB of memory in use. ENERGY: 4317200 747.1879 2088.3022 1911.7488 119.2166 -206145.3490 17744.2557 0.0000 0.0000 34375.5878 -149159.0499 300.2106 -183534.6377 -149060.0440 300.3566 13.4381 43.9559 556876.1839 8.4772 8.3981 PRESSURE: 4317400 88.5131 107.884 8.19494 107.883 -200.783 64.3045 8.19513 64.3056 -235.453 GPRESSURE: 4317400 91.2903 80.015 -91.2014 93.2068 -115.061 107.065 51.1794 38.92 -230.343 PRESSAVG: 4317400 65.1162 69.72 3.79065 69.7199 -51.1977 3.62394 3.79056 3.62392 -21.2293 GPRESSAVG: 4317400 65.1235 68.8931 5.37239 69.7318 -51.7697 3.25215 2.59831 5.71414 -20.6179 TIMING: 4317400 CPU: 12499.4, 0.00291019/step Wall: 12499.4, 0.00291019/step, 0.551805 hours remaining, 210.867188 MB of memory in use. ENERGY: 4317400 767.6948 2131.5881 1926.0143 107.2402 -206065.4453 17713.7442 0.0000 0.0000 34359.0667 -149060.0970 300.0663 -183419.1637 -148965.2976 299.4909 -115.9076 -84.7044 557468.8299 -2.4369 -2.4214 PRESSURE: 4317600 -233.508 -268.623 -94.7319 -268.624 -136.016 -75.8834 -94.732 -75.8842 -11.3805 GPRESSURE: 4317600 -253.566 -286.181 -110.472 -213.454 -76.3112 -115.232 -112.902 -50.0831 53.4276 PRESSAVG: 4317600 98.3015 42.4834 -25.921 42.4833 -6.98069 -70.8179 -25.9211 -70.818 -53.6792 GPRESSAVG: 4317600 98.8393 42.3166 -26.9079 42.0507 -7.99005 -69.9042 -26.3323 -69.8478 -53.2364 TIMING: 4317600 CPU: 12500, 0.00289621/step Wall: 12500, 0.00289621/step, 0.548993 hours remaining, 210.867188 MB of memory in use. ENERGY: 4317600 748.8205 2084.3002 1921.9375 101.9650 -205968.9984 17670.0935 0.0000 0.0000 34185.2152 -149256.6665 298.5480 -183441.8817 -149158.4158 299.1418 -126.9682 -92.1500 558234.6815 12.5472 12.5376 PRESSURE: 4317800 -255.691 -64.0506 -43.4116 -64.0501 -28.0477 137.743 -43.4117 137.743 22.0887 GPRESSURE: 4317800 -213.939 -54.3388 25.6429 -17.2975 -20.3579 161.154 -115.214 71.5677 68.2528 PRESSAVG: 4317800 -6.98626 52.3142 32.7976 52.3142 -1.61084 22.7142 32.7976 22.7141 5.54098 GPRESSAVG: 4317800 -6.90815 52.0006 34.1697 53.2516 -1.94145 21.8863 31.3234 21.2962 5.88601 TIMING: 4317800 CPU: 12500.5, 0.00291036/step Wall: 12500.5, 0.00291036/step, 0.551514 hours remaining, 210.867188 MB of memory in use. ENERGY: 4317800 719.8356 2105.1323 1933.6245 118.5796 -206104.5147 17592.8959 0.0000 0.0000 34119.8395 -149514.6074 297.9770 -183634.4469 -149419.7061 298.2090 -87.2167 -55.3479 557661.0952 -1.0187 -0.9879 PRESSURE: 4318000 51.5295 116.549 49.0676 116.549 -250.323 -89.6381 49.066 -89.6393 -132.347 GPRESSURE: 4318000 69.7084 94.8554 38.7787 105.887 -203.129 -172.358 58.0386 -51.1459 -92.3541 PRESSAVG: 4318000 43.4441 -11.3471 52.4632 -11.3471 -70.369 31.4588 52.4631 31.4589 21.5242 GPRESSAVG: 4318000 43.185 -10.8711 51.2132 -11.7123 -69.5662 31.7377 53.4148 30.5506 21.4931 TIMING: 4318000 CPU: 12501.1, 0.0029031/step Wall: 12501.1, 0.0029031/step, 0.549975 hours remaining, 210.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4318000 739.2264 2068.2113 1930.7027 96.7781 -206095.8036 17614.1434 0.0000 0.0000 34377.9761 -149268.7656 300.2314 -183646.7418 -149168.6841 298.8192 -110.3803 -75.2583 556208.1588 -1.8002 -1.6294 PRESSURE: 4318200 -120.536 -62.9598 -182.518 -62.96 -99.976 -28.4077 -182.516 -28.4082 -167.207 GPRESSURE: 4318200 -83.0016 -5.43918 -122.869 -109.673 -50.971 -28.5161 -277.251 20.8271 -147.025 PRESSAVG: 4318200 -25.8911 4.15726 4.9662 4.15734 21.6479 -19.9745 4.96623 -19.9746 -3.98765 GPRESSAVG: 4318200 -25.8819 5.1127 4.62123 3.98325 22.2727 -20.1211 3.43811 -19.3179 -4.39728 TIMING: 4318200 CPU: 12501.7, 0.00288799/step Wall: 12501.7, 0.00288799/step, 0.546953 hours remaining, 210.867188 MB of memory in use. ENERGY: 4318200 736.7018 2043.0286 1960.9955 107.7289 -205887.7696 17473.4949 0.0000 0.0000 34211.9857 -149353.8342 298.7818 -183565.8199 -149255.7088 299.2317 -129.2396 -93.6659 556620.0950 -2.7436 -2.6688 PRESSURE: 4318400 -486.347 -42.6893 2.72591 -42.6882 -145.924 41.5212 2.72597 41.5218 -487.749 GPRESSURE: 4318400 -500.804 45.3813 103.728 -70.1843 -107.653 82.0896 -73.417 25.0379 -408.043 PRESSAVG: 4318400 9.25145 15.6154 6.87124 15.6154 -54.5801 -14.9204 6.87123 -14.9204 44.2531 GPRESSAVG: 4318400 8.50384 15.5748 6.82308 15.4425 -53.5864 -14.041 8.74825 -16.0988 44.5118 TIMING: 4318400 CPU: 12502.3, 0.00291084/step Wall: 12502.3, 0.00291084/step, 0.551118 hours remaining, 210.867188 MB of memory in use. ENERGY: 4318400 720.1750 2096.1481 2002.5017 119.8132 -205704.6248 17230.9872 0.0000 0.0000 34329.8944 -149205.1053 299.8115 -183534.9996 -149104.0424 299.3947 -373.3398 -338.8331 558972.6694 -0.3585 -0.1902 PRESSURE: 4318600 -5.82163 106.634 41.5065 106.635 -304.634 -250.667 41.5066 -250.667 -133.816 GPRESSURE: 4318600 27.8258 108.166 46.8728 85.4949 -226.629 -239.8 45.6001 -240.193 -155.367 PRESSAVG: 4318600 28.0058 -34.7481 34.6599 -34.7481 -36.0983 -30.0568 34.6598 -30.0568 6.35582 GPRESSAVG: 4318600 28.8722 -34.497 34.2503 -33.9796 -37.0318 -31.4865 34.4802 -29.6682 6.82963 TIMING: 4318600 CPU: 12502.9, 0.00290314/step Wall: 12502.9, 0.00290314/step, 0.549501 hours remaining, 210.867188 MB of memory in use. ENERGY: 4318600 754.2820 2129.7655 1957.1972 113.6846 -206104.1448 17590.1629 0.0000 0.0000 34303.1977 -149255.8548 299.5784 -183559.0526 -149168.8413 298.9794 -148.0905 -118.0566 557078.6431 -0.5789 -0.4433 PRESSURE: 4318800 96.0747 54.0153 -59.2324 54.0166 20.3658 105.928 -59.2324 105.927 226.306 GPRESSURE: 4318800 116.446 17.308 -38.0573 68.1939 74.3512 182.445 -120.134 131.344 244.182 PRESSAVG: 4318800 -7.50245 21.1626 -22.6834 21.1625 -15.2095 44.3872 -22.6834 44.3873 47.4369 GPRESSAVG: 4318800 -6.48483 23.4922 -23.1273 17.5042 -16.0291 46.0759 -21.7104 44.9215 47.5957 TIMING: 4318800 CPU: 12503.4, 0.00286733/step Wall: 12503.4, 0.00286733/step, 0.542563 hours remaining, 210.867188 MB of memory in use. ENERGY: 4318800 736.3241 2081.7185 1935.8982 108.5749 -206538.9209 17884.4718 0.0000 0.0000 34445.9394 -149345.9942 300.8250 -183791.9335 -149247.8317 299.3708 114.2490 144.9932 556801.6937 8.2417 8.3606 PRESSURE: 4319000 -344.691 1.33232 192.03 1.33037 -173.461 -6.12125 192.03 -6.12266 -144.948 GPRESSURE: 4319000 -304.498 59.086 203.346 -3.05076 -196.03 61.1536 168.35 -57.155 -73.8392 PRESSAVG: 4319000 62.0885 -2.881 26.1587 -2.88099 -52.053 38.5877 26.1586 38.5878 -9.71833 GPRESSAVG: 4319000 61.5432 -6.07291 24.0608 -0.175008 -52.8846 37.9813 25.3791 38.4382 -8.4115 TIMING: 4319000 CPU: 12504, 0.00289456/step Wall: 12504, 0.00289456/step, 0.547554 hours remaining, 210.867188 MB of memory in use. ENERGY: 4319000 742.3214 2068.1110 1950.7450 115.8029 -206078.7814 17602.4873 0.0000 0.0000 34341.2213 -149258.0925 299.9104 -183599.3137 -149160.4621 299.7039 -221.0335 -191.4558 557860.5692 0.1057 0.0823 PRESSURE: 4319200 -91.4967 -66.4659 -29.4375 -66.4668 6.24101 -102.224 -29.4378 -102.223 -159.933 GPRESSURE: 4319200 -59.6905 -0.95684 21.5675 -85.0261 -7.79211 -56.2 -44.6937 -140.847 -75.5487 PRESSAVG: 4319200 -64.3096 34.3165 -1.78788 34.3166 37.5214 -29.0867 -1.7878 -29.0866 14.9285 GPRESSAVG: 4319200 -63.9384 34.7907 1.75506 34.4375 38.8445 -30.6828 -1.33005 -28.1133 13.6684 TIMING: 4319200 CPU: 12504.6, 0.00288134/step Wall: 12504.6, 0.00288134/step, 0.544893 hours remaining, 210.867188 MB of memory in use. ENERGY: 4319200 766.6745 2058.6006 1928.3603 110.7620 -205982.1026 17787.0968 0.0000 0.0000 34279.4731 -149051.1353 299.3712 -183330.6084 -148947.1450 298.9992 -81.7296 -47.6771 558642.3750 -3.9532 -3.8085 PRESSURE: 4319400 67.7158 9.65357 -9.42881 9.65319 12.8351 -113.572 -9.42943 -113.572 -84.1396 GPRESSURE: 4319400 94.6603 31.8161 -7.55039 -10.4925 54.9483 -132.886 54.6024 -182.377 -58.2191 PRESSAVG: 4319400 28.8879 -34.4735 -13.514 -34.4735 -54.4835 -26.6263 -13.5139 -26.6263 24.6923 GPRESSAVG: 4319400 28.3401 -34.6525 -15.2593 -34.9116 -54.8228 -26.836 -14.2312 -25.5079 25.2624 TIMING: 4319400 CPU: 12505.2, 0.00289622/step Wall: 12505.2, 0.00289622/step, 0.547547 hours remaining, 210.867188 MB of memory in use. ENERGY: 4319400 724.2941 2112.5415 1959.1623 122.5837 -206102.7835 17701.6118 0.0000 0.0000 34482.6802 -148999.9099 301.1458 -183482.5901 -148903.7831 299.8755 -1.1962 30.4632 557783.5304 -0.3011 -0.4068 PRESSURE: 4319600 -16.4943 138.897 -159.4 138.896 -15.8557 -125.67 -159.399 -125.67 -60.1534 GPRESSURE: 4319600 -8.01107 161.747 -165.041 118.388 -11.0886 -119.854 -156.292 -125.735 26.3762 PRESSAVG: 4319600 -26.6223 53.3238 0.982434 53.3238 16.4816 -28.1643 0.982291 -28.1643 -11.8081 GPRESSAVG: 4319600 -25.9916 54.3919 3.14718 54.1691 15.405 -26.3598 -0.777223 -30.2376 -11.5261 TIMING: 4319600 CPU: 12505.8, 0.00289507/step Wall: 12505.8, 0.00289507/step, 0.547169 hours remaining, 210.867188 MB of memory in use. ENERGY: 4319600 753.5201 2133.0168 1958.4062 111.1338 -206240.3676 17886.0764 0.0000 0.0000 34276.2267 -149121.9877 299.3428 -183398.2144 -149032.4423 299.4378 -30.8345 2.4255 559910.1323 -7.3163 -7.3709 PRESSURE: 4319800 196.284 31.3082 81.1897 31.3094 386.551 25.065 81.1895 25.0636 93.7483 GPRESSURE: 4319800 224.439 64.2277 115.505 98.0203 377.247 72.225 62.8922 -11.8659 162.783 PRESSAVG: 4319800 35.0581 30.7266 -8.06033 30.7266 9.02345 -65.9442 -8.06037 -65.9443 -27.2988 GPRESSAVG: 4319800 34.8226 29.696 -9.97529 29.4268 11.0151 -66.1541 -4.57669 -62.6154 -28.7703 TIMING: 4319800 CPU: 12506.3, 0.00290463/step Wall: 12506.3, 0.00290463/step, 0.548814 hours remaining, 210.867188 MB of memory in use. ENERGY: 4319800 742.0823 2092.9296 1973.3901 115.5229 -206517.7782 18200.6665 0.0000 0.0000 34209.1783 -149184.0084 298.7573 -183393.1867 -149087.5766 299.3412 225.5276 254.8230 558321.8257 5.5943 5.6891 PRESSURE: 4320000 -102.011 36.6387 -250.659 36.6387 216.568 -5.76768 -250.658 -5.76862 -60.5296 GPRESSURE: 4320000 -88.5447 60.8233 -222.92 32.3395 182.93 -73.0815 -231.921 13.3427 32.3474 PRESSAVG: 4320000 -25.1822 -11.0886 -5.85966 -11.0887 90.1248 -59.8827 -5.85963 -59.8827 -35.7065 GPRESSAVG: 4320000 -25.7297 -7.81539 -6.68616 -11.2902 89.5334 -58.4783 -4.73888 -61.0866 -34.6221 TIMING: 4320000 CPU: 12506.9, 0.00288955/step Wall: 12506.9, 0.00288955/step, 0.545804 hours remaining, 210.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4320000 736.9821 2127.1822 1925.6505 114.6716 -206044.5494 17671.3899 0.0000 0.0000 34212.2122 -149256.4609 298.7838 -183468.6731 -149152.7300 298.6245 18.0093 42.2442 557171.0723 9.7454 9.7272 PRESSURE: 4320200 -88.6511 28.7084 -20.3185 28.7077 -94.5655 118.985 -20.3182 118.986 32.4982 GPRESSURE: 4320200 -45.5216 81.6751 14.2472 -32.8908 -47.3195 168.982 12.6287 148.265 32.4295 PRESSAVG: 4320200 -9.73293 -6.53099 21.624 -6.53096 51.719 1.63269 21.6239 1.6326 -34.6884 GPRESSAVG: 4320200 -8.49604 -6.66734 22.3636 -6.76482 50.9502 0.19843 20.3027 -0.495878 -35.0618 TIMING: 4320200 CPU: 12507.5, 0.0028965/step Wall: 12507.5, 0.0028965/step, 0.546956 hours remaining, 210.867188 MB of memory in use. ENERGY: 4320200 733.6520 2065.4909 1960.1768 114.5250 -206033.3721 17589.8733 0.0000 0.0000 34337.3005 -149232.3536 299.8762 -183569.6541 -149132.7146 299.2114 -50.2394 -20.1372 557231.5865 2.4326 2.4641 LDB: ============= START OF LOAD BALANCING ============== 12510.9 LDB: ============== END OF LOAD BALANCING =============== 12510.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12510.9 LDB: ============= START OF LOAD BALANCING ============== 12511.2 LDB: Largest compute 4773 load 0.024890 is 21.1% of average load 0.118016 LDB: Average compute 0.001726 is 1.5% of average load 0.118016 LDB: TIME 12511.2 LOAD: AVG 0.118016 MAX 0.182361 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.387 MB LDB: TIME 12511.2 LOAD: AVG 0.118016 MAX 0.182361 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.387 MB LDB: TIME 12511.2 LOAD: AVG 0.118016 MAX 0.182361 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12511.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12511.2 PRESSURE: 4320400 -184.013 58.7684 37.5081 58.7707 33.9235 89.9222 37.5085 89.9208 -17.0298 GPRESSURE: 4320400 -157.918 52.9363 50.1157 59.4337 36.2529 65.6339 23.1578 113.668 52.9009 PRESSAVG: 4320400 -18.3975 53.7422 18.0589 53.7423 -8.74008 37.689 18.0589 37.6889 46.1351 GPRESSAVG: 4320400 -20.0202 51.2994 19.4344 54.9625 -6.85238 37.781 17.7317 38.4708 45.9822 TIMING: 4320400 CPU: 12508.1, 0.00295669/step Wall: 12508.1, 0.00295669/step, 0.558158 hours remaining, 210.867188 MB of memory in use. ENERGY: 4320400 764.1684 2085.2907 1976.5444 111.9025 -206069.0964 17779.5902 0.0000 0.0000 34207.2049 -149144.3953 298.7400 -183351.6002 -149049.4126 299.6456 -55.7063 -22.9213 557851.8591 6.3325 6.3699 PRESSURE: 4320600 19.3128 -95.1971 -86.2381 -95.1962 -33.9134 -11.7633 -86.2393 -11.7624 -7.02333 GPRESSURE: 4320600 43.6812 -74.6507 -112.9 -85.1519 -5.96091 -12.9757 -45.1883 -87.4395 29.8889 PRESSAVG: 4320600 9.08635 -29.7194 20.0176 -29.7194 12.3849 31.6315 20.0176 31.6314 -21.1882 GPRESSAVG: 4320600 9.13364 -27.0305 21.9971 -31.6476 10.9612 30.6118 18.3028 32.2724 -19.903 TIMING: 4320600 CPU: 12508.7, 0.00288882/step Wall: 12508.7, 0.00288882/step, 0.545185 hours remaining, 211.070312 MB of memory in use. ENERGY: 4320600 743.3797 2127.2339 1955.5969 106.5704 -206152.9598 17725.8530 0.0000 0.0000 34198.7540 -149295.5720 298.6662 -183494.3259 -149200.6534 299.5944 -7.2080 22.5364 556309.4588 0.0944 0.0640 PRESSURE: 4320800 -29.7225 -255.074 48.4826 -255.074 -9.73331 82.9229 48.4811 82.9236 40.7251 GPRESSURE: 4320800 -15.7793 -277.384 86.7416 -289.677 19.6685 93.9625 42.858 19.5325 81.1684 PRESSAVG: 4320800 -23.8387 -24.419 18.0089 -24.4189 43.8629 0.548205 18.0089 0.548157 -53.8456 GPRESSAVG: 4320800 -22.7439 -26.457 16.5435 -22.8789 43.7916 3.0811 18.3616 -0.670786 -54.6257 TIMING: 4320800 CPU: 12509.2, 0.00290609/step Wall: 12509.2, 0.00290609/step, 0.548282 hours remaining, 211.070312 MB of memory in use. ENERGY: 4320800 732.9935 2078.5110 1935.0217 109.4676 -206355.6527 17761.8158 0.0000 0.0000 34300.5680 -149437.2750 299.5554 -183737.8430 -149341.8098 299.0530 0.4231 28.3525 554585.5995 -11.2738 -11.1927 PRESSURE: 4321000 -478.624 -22.5252 62.5719 -22.5249 -279.697 69.8859 62.5728 69.8844 -240.616 GPRESSURE: 4321000 -437.639 19.4247 82.4425 -39.0032 -237.623 110.338 -6.26759 -31.7618 -210.473 PRESSAVG: 4321000 -27.2526 -26.3285 30.2866 -26.3285 -11.6608 27.9983 30.2866 27.9981 39.1828 GPRESSAVG: 4321000 -25.7726 -26.5913 29.4943 -25.4584 -11.9727 26.5156 30.8685 28.524 38.1082 TIMING: 4321000 CPU: 12509.8, 0.00285668/step Wall: 12509.8, 0.00285668/step, 0.538801 hours remaining, 211.070312 MB of memory in use. ENERGY: 4321000 741.4020 2090.3586 1939.1370 110.9843 -205553.8621 17243.9960 0.0000 0.0000 34078.5135 -149349.4707 297.6161 -183427.9842 -149253.1744 298.9582 -332.9787 -295.2447 558004.8101 0.0898 0.1210 PRESSURE: 4321200 14.5586 -68.5019 -80.8247 -68.5006 -376.989 -26.9798 -80.8237 -26.9804 -61.7218 GPRESSURE: 4321200 17.2798 -113.897 -166.688 -43.094 -248.772 -144.873 -132.54 4.70954 -102.302 PRESSAVG: 4321200 -14.0382 7.10684 49.5795 7.10675 43.0649 1.7534 49.5795 1.75353 14.0115 GPRESSAVG: 4321200 -14.8685 8.5905 50.2697 6.128 43.7652 0.940756 49.1144 3.4083 14.2925 TIMING: 4321200 CPU: 12510.4, 0.00287088/step Wall: 12510.4, 0.00287088/step, 0.541321 hours remaining, 211.070312 MB of memory in use. ENERGY: 4321200 778.4042 2101.3804 1944.7783 110.1015 -206300.0158 17614.6458 0.0000 0.0000 34426.3525 -149324.3532 300.6539 -183750.7057 -149229.1218 299.1687 -141.3841 -111.2648 556657.5455 14.3460 14.3964 PRESSURE: 4321400 12.994 -7.96374 -3.5655 -7.96508 -71.0732 -163.827 -3.56551 -163.827 -137.93 GPRESSURE: 4321400 70.5043 -1.99342 -16.8103 7.03014 -19.212 -139.57 -28.2184 -173.091 -137.811 PRESSAVG: 4321400 8.05124 -50.9386 -2.82213 -50.9386 -46.1111 27.0973 -2.82217 27.0972 53.0299 GPRESSAVG: 4321400 8.03784 -51.5026 -3.36045 -49.9536 -46.866 27.8366 -2.30484 25.6569 54.0246 TIMING: 4321400 CPU: 12511, 0.00286816/step Wall: 12511, 0.00286816/step, 0.540648 hours remaining, 211.070312 MB of memory in use. ENERGY: 4321400 769.6522 2083.1452 1945.9209 115.3863 -206171.1346 17828.9732 0.0000 0.0000 34123.3693 -149304.6875 298.0079 -183428.0568 -149218.0923 299.0934 -65.3364 -28.8397 556669.1379 4.9900 5.0655 PRESSURE: 4321600 48.2539 45.6429 -45.1327 45.6414 -91.2389 -112.947 -45.1328 -112.945 411.174 GPRESSURE: 4321600 65.7021 11.6892 -27.8397 31.2338 -88.2538 -25.8342 -44.0933 -188.47 484.935 PRESSAVG: 4321600 13.6772 -14.4787 17.3104 -14.4786 -4.46928 -37.6619 17.3103 -37.6618 43.5428 GPRESSAVG: 4321600 14.2876 -16.6245 16.2189 -12.5667 -4.63126 -35.3013 17.9969 -37.643 42.7668 TIMING: 4321600 CPU: 12511.5, 0.00288639/step Wall: 12511.5, 0.00288639/step, 0.543924 hours remaining, 211.070312 MB of memory in use. ENERGY: 4321600 744.2969 2079.2628 1941.7371 105.9687 -206354.2288 17931.7411 0.0000 0.0000 34169.7929 -149381.4293 298.4133 -183551.2222 -149280.0235 299.2189 122.7295 154.1277 555855.5885 17.5835 17.4744 PRESSURE: 4321800 -201.745 -80.156 -346.986 -80.1561 114.444 176.768 -346.987 176.769 -56.8069 GPRESSURE: 4321800 -179.428 -45.3469 -376.117 -97.3379 123.571 186.52 -312.553 256.493 0.20519 PRESSAVG: 4321800 79.7634 -29.7519 -39.1664 -29.7519 -20.6475 45.5665 -39.1664 45.5666 -35.4567 GPRESSAVG: 4321800 78.6857 -27.3723 -38.2937 -32.3725 -19.6416 44.6683 -37.3934 45.0898 -35.284 TIMING: 4321800 CPU: 12512.1, 0.0028866/step Wall: 12512.1, 0.0028866/step, 0.543803 hours remaining, 211.070312 MB of memory in use. ENERGY: 4321800 742.8252 2055.5798 1934.0329 105.6170 -206443.0413 17893.7047 0.0000 0.0000 34233.5562 -149477.7255 298.9702 -183711.2817 -149385.0051 298.0965 -48.0358 -18.5505 558320.8138 7.8864 7.9201 PRESSURE: 4322000 242.694 64.8515 45.7669 64.8514 147.995 28.3667 45.7659 28.367 150.517 GPRESSURE: 4322000 266.885 120.557 92.1256 50.3295 184.791 34.6195 -39.9915 24.0166 182.125 PRESSAVG: 4322000 -11.1331 37.4916 -51.0337 37.4915 20.6711 92.1118 -51.0338 92.1118 -14.3578 GPRESSAVG: 4322000 -10.736 37.7009 -48.2374 37.7956 20.0996 91.376 -53.4019 91.7675 -14.278 TIMING: 4322000 CPU: 12512.7, 0.00287313/step Wall: 12512.7, 0.00287313/step, 0.541105 hours remaining, 211.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4322000 718.5726 2049.8050 1939.9314 112.8717 -206296.8252 17956.2218 0.0000 0.0000 34076.4216 -149443.0012 297.5979 -183519.4228 -149343.7100 298.0112 180.4021 211.2670 556270.5458 -1.6066 -1.6382 PRESSURE: 4322200 -229.429 106.001 -34.9444 106.002 -28.1496 76.8861 -34.9442 76.8861 -82.0116 GPRESSURE: 4322200 -218.933 94.6541 -61.6182 74.843 -11.9053 -47.1392 -5.33738 107.94 -7.54835 PRESSAVG: 4322200 -17.3409 6.75001 0.530346 6.75002 -6.54619 -14.1305 0.530351 -14.1304 -26.3008 GPRESSAVG: 4322200 -17.3966 5.77141 0.836685 7.56622 -6.68952 -14.3758 -0.272029 -13.6473 -25.8013 TIMING: 4322200 CPU: 12513.3, 0.00288109/step Wall: 12513.3, 0.00288109/step, 0.542445 hours remaining, 211.070312 MB of memory in use. ENERGY: 4322200 723.6383 2051.8432 1972.0527 116.3632 -206185.6908 17859.0762 0.0000 0.0000 33997.0413 -149465.6759 296.9046 -183462.7172 -149366.1811 297.8142 -113.1968 -79.4623 557472.2887 -16.7293 -16.6291 PRESSURE: 4322400 164.524 3.37118 13.2234 3.37133 -434.494 -10.1444 13.2236 -10.1447 6.56244 GPRESSURE: 4322400 206.431 -53.5294 -45.4973 45.9872 -450.587 55.9105 18.8402 -86.1606 93.1021 PRESSAVG: 4322400 8.13085 -27.0065 18.5854 -27.0065 -0.294613 -54.2451 18.5854 -54.2452 31.0601 GPRESSAVG: 4322400 8.08313 -27.0538 18.5293 -26.0635 0.816397 -52.6247 17.9004 -55.1915 29.4317 TIMING: 4322400 CPU: 12513.8, 0.00289307/step Wall: 12513.8, 0.00289307/step, 0.54454 hours remaining, 211.070312 MB of memory in use. ENERGY: 4322400 776.4236 2031.0034 1937.1661 114.0206 -206455.2531 17847.7266 0.0000 0.0000 34231.5012 -149517.4114 298.9522 -183748.9127 -149422.7728 298.6835 -87.8026 -50.3513 557501.0687 12.9654 12.7771 PRESSURE: 4322600 -323.058 5.6844 -16.8253 5.68323 15.9427 128.086 -16.8248 128.085 -106.25 GPRESSURE: 4322600 -232.769 -46.191 -90.0777 -22.4389 14.7549 74.1606 -37.2869 144.285 -90.3785 PRESSAVG: 4322600 14.69 33.6187 -38.8838 33.6188 -54.4081 -28.2149 -38.8837 -28.2151 4.59569 GPRESSAVG: 4322600 14.8009 33.8477 -42.1078 31.662 -55.9001 -29.0349 -35.7266 -27.3653 5.64182 TIMING: 4322600 CPU: 12514.4, 0.00288182/step Wall: 12514.4, 0.00288182/step, 0.542263 hours remaining, 211.070312 MB of memory in use. ENERGY: 4322600 762.7866 2097.9308 1920.0435 118.9510 -206075.5612 17671.2984 0.0000 0.0000 34167.9226 -149336.6285 298.3970 -183504.5511 -149237.0271 298.8574 -137.7883 -102.7976 558121.2633 -11.7075 -11.8191 PRESSURE: 4322800 -89.0336 17.849 81.9917 17.849 -80.5192 57.0208 81.9927 57.0208 -193.97 GPRESSURE: 4322800 -42.2461 -47.0596 78.5868 -53.2659 -40.4063 -27.6643 133.953 40.1877 -196.765 PRESSAVG: 4322800 8.21521 -29.2657 32.2212 -29.2656 46.5143 10.1764 32.2213 10.1764 -3.92083 GPRESSAVG: 4322800 8.59061 -27.3146 32.4965 -27.7837 46.3803 8.88035 31.4861 9.97562 -4.13212 TIMING: 4322800 CPU: 12515, 0.00288271/step Wall: 12515, 0.00288271/step, 0.54227 hours remaining, 211.070312 MB of memory in use. ENERGY: 4322800 773.4338 2072.9745 1946.7772 118.3242 -206453.1476 17793.7021 0.0000 0.0000 34339.4689 -149408.4669 299.8951 -183747.9358 -149310.4604 298.9141 -121.1743 -93.1390 557464.6864 16.9362 16.9463 PRESSURE: 4323000 31.8946 91.7504 -22.7539 91.7505 78.3339 227.475 -22.7542 227.474 97.3487 GPRESSURE: 4323000 88.8163 40.1141 -112.103 94.7895 84.1056 217.403 -8.20185 128.01 136.259 PRESSAVG: 4323000 -84.6102 -8.71266 16.4219 -8.7126 69.1695 17.8483 16.422 17.8482 -3.68591 GPRESSAVG: 4323000 -86.3396 -9.78424 16.9982 -9.5991 69.6791 18.697 17.1821 18.3703 -2.76213 TIMING: 4323000 CPU: 12515.6, 0.00289079/step Wall: 12515.6, 0.00289079/step, 0.543629 hours remaining, 211.070312 MB of memory in use. ENERGY: 4323000 725.7369 2074.5463 1936.5164 114.8554 -206593.8070 17839.8508 0.0000 0.0000 34443.9648 -149458.3364 300.8077 -183902.3012 -149363.6811 298.7658 69.1924 103.0603 555241.7414 -6.3756 -6.4742 PRESSURE: 4323200 -61.7806 -26.6222 56.9565 -26.6227 80.7273 -102.381 56.9575 -102.382 172.521 GPRESSURE: 4323200 -86.2741 -20.0291 22.0865 -15.011 177.551 -77.9113 33.0542 -71.387 203.895 PRESSAVG: 4323200 -45.839 16.4998 -8.94922 16.4998 44.7848 13.2298 -8.94942 13.2299 21.6534 GPRESSAVG: 4323200 -44.5711 15.6713 -9.00088 15.9761 44.4411 14.0667 -8.74206 13.3037 21.1389 TIMING: 4323200 CPU: 12516.2, 0.00290075/step Wall: 12516.2, 0.00290075/step, 0.545342 hours remaining, 211.070312 MB of memory in use. ENERGY: 4323200 743.0868 2027.2351 1940.7644 108.5211 -206170.0410 17829.2195 0.0000 0.0000 34134.8937 -149386.3205 298.1085 -183521.2142 -149298.4108 299.0071 63.8227 98.3905 556676.3590 6.8664 7.0030 PRESSURE: 4323400 -51.7683 40.3962 -163.719 40.3958 154.174 12.3086 -163.72 12.3081 205.798 GPRESSURE: 4323400 -59.4207 23.8212 -181.94 22.0884 206.665 -78.1357 -167.665 74.9273 238.058 PRESSAVG: 4323400 -43.8289 -24.2804 -13.7626 -24.2805 31.3537 44.5366 -13.7625 44.5367 -4.63676 GPRESSAVG: 4323400 -43.3007 -23.3127 -11.5326 -23.5551 30.5836 43.5406 -16.7343 45.4281 -4.23586 TIMING: 4323400 CPU: 12516.7, 0.00288831/step Wall: 12516.7, 0.00288831/step, 0.542843 hours remaining, 211.070312 MB of memory in use. ENERGY: 4323400 700.4598 2091.8152 1929.5125 104.6984 -206386.0610 17931.6506 0.0000 0.0000 34207.9983 -149419.9261 298.7470 -183627.9244 -149328.1269 299.0171 102.7346 128.4341 558582.3096 -5.7040 -5.6510 PRESSURE: 4323600 -111.211 49.4929 51.0366 49.4927 199.763 -4.57436 51.037 -4.5724 -168.264 GPRESSURE: 4323600 -80.2699 -66.3309 -96.3827 90.6843 229.907 15.7793 78.5504 -35.4637 -142.332 PRESSAVG: 4323600 -70.1659 70.8743 -51.3103 70.8742 76.7257 32.9687 -51.3103 32.9687 16.5743 GPRESSAVG: 4323600 -70.8412 70.3734 -55.1086 69.304 77.9624 34.8873 -49.1574 31.3416 15.9477 TIMING: 4323600 CPU: 12517.3, 0.00289242/step Wall: 12517.3, 0.00289242/step, 0.543453 hours remaining, 211.070312 MB of memory in use. ENERGY: 4323600 735.4567 2081.4758 1951.8017 101.1240 -206011.4850 17799.0653 0.0000 0.0000 33989.6496 -149352.9121 296.8401 -183342.5617 -149256.3929 298.4213 -26.5709 2.4351 557676.8020 7.7113 7.6896 PRESSURE: 4323800 122.004 -5.48074 -73.5078 -5.48023 76.6231 -228.046 -73.5089 -228.047 74.2509 GPRESSURE: 4323800 140.37 17.011 -102.488 -14.6648 110.798 -239.169 -41.8931 -205.304 106.083 PRESSAVG: 4323800 -15.2791 43.3043 -41.2726 43.3043 40.3163 -10.8836 -41.2726 -10.8836 -44.0789 GPRESSAVG: 4323800 -14.2934 44.3777 -41.2682 45.0547 40.0351 -11.5921 -41.4779 -10.8625 -44.8429 TIMING: 4323800 CPU: 12517.9, 0.00288241/step Wall: 12517.9, 0.00288241/step, 0.541412 hours remaining, 211.070312 MB of memory in use. ENERGY: 4323800 715.2205 2102.0534 1929.1016 107.7321 -206174.2227 17787.7756 0.0000 0.0000 34293.8618 -149238.4777 299.4968 -183532.3395 -149140.3142 299.0999 90.9595 119.0835 556745.4822 -6.3472 -6.3671 PRESSURE: 4324000 64.2319 -23.7207 153.968 -23.7204 229.275 37.6899 153.968 37.6894 87.9982 GPRESSURE: 4324000 80.1406 -119.739 99.4234 33.4928 258.995 50.6707 210.332 85.2189 142.906 PRESSAVG: 4324000 27.8959 -32.7197 14.0287 -32.7195 -50.4854 56.7365 14.0289 56.7366 26.7275 GPRESSAVG: 4324000 26.9191 -34.9459 16.4731 -35.0308 -50.2279 54.9489 12.2638 57.9729 27.2437 TIMING: 4324000 CPU: 12518.5, 0.00287837/step Wall: 12518.5, 0.00287837/step, 0.540494 hours remaining, 211.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4324000 749.9092 2106.5995 1936.3344 106.2612 -206361.1602 18022.4953 0.0000 0.0000 34221.4946 -149218.0660 298.8648 -183439.5605 -149122.6573 299.6548 127.1683 160.6805 555209.0113 1.3793 1.3116 PRESSURE: 4324200 -19.1133 30.1957 -43.7038 30.1976 27.8868 -112.427 -43.7043 -112.429 106.72 GPRESSURE: 4324200 58.4853 -40.2232 21.7612 61.6931 59.8412 -87.2025 -10.6453 -116.38 104.506 PRESSAVG: 4324200 -25.211 -36.8886 -61.8741 -36.8886 -33.5999 31.7924 -61.874 31.7924 55.1324 GPRESSAVG: 4324200 -24.0775 -36.1946 -62.9191 -36.6447 -35.0026 31.0585 -59.94 31.3117 55.1029 TIMING: 4324200 CPU: 12519, 0.00286955/step Wall: 12519, 0.00286955/step, 0.538678 hours remaining, 211.070312 MB of memory in use. ENERGY: 4324200 776.7584 2116.0249 1985.0884 103.2241 -206201.5424 17643.2377 0.0000 0.0000 34284.0062 -149293.2027 299.4108 -183577.2089 -149196.3976 299.4856 38.4979 74.2776 555388.7778 -1.2262 -1.3257 LDB: ============= START OF LOAD BALANCING ============== 12522.4 LDB: ============== END OF LOAD BALANCING =============== 12522.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12522.4 LDB: ============= START OF LOAD BALANCING ============== 12522.7 LDB: Largest compute 4772 load 0.024967 is 21.2% of average load 0.118001 LDB: Average compute 0.001724 is 1.5% of average load 0.118001 LDB: TIME 12522.7 LOAD: AVG 0.118001 MAX 0.178835 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.355 MB LDB: TIME 12522.7 LOAD: AVG 0.118001 MAX 0.178835 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.355 MB LDB: TIME 12522.7 LOAD: AVG 0.118001 MAX 0.178835 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12522.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12522.7 PRESSURE: 4324400 -102.004 17.2908 17.1013 17.2913 -99.6541 -0.643916 17.1013 -0.643883 122.165 GPRESSURE: 4324400 -94.3085 100.357 -19.4572 -14.8429 -84.7889 18.5934 20.1505 -51.8778 202.973 PRESSAVG: 4324400 27.5639 -38.9918 -6.50823 -38.9918 -21.2007 -66.055 -6.50815 -66.055 -12.9087 GPRESSAVG: 4324400 27.101 -38.4073 -4.48275 -39.2966 -21.069 -64.3712 -7.84939 -65.4597 -12.9779 TIMING: 4324400 CPU: 12519.6, 0.00294301/step Wall: 12519.6, 0.00294301/step, 0.552305 hours remaining, 210.867188 MB of memory in use. ENERGY: 4324400 777.7537 2121.5098 1961.2288 117.2682 -206270.6564 17748.8979 0.0000 0.0000 34389.6133 -149154.3848 300.3330 -183543.9981 -149069.9071 299.5779 -26.4980 7.9584 556039.1150 -2.1818 -2.3153 PRESSURE: 4324600 112.174 44.4542 188.204 44.4525 286.236 -61.863 188.205 -61.8619 426.12 GPRESSURE: 4324600 184.138 17.3362 172.485 6.7675 317.348 -118.053 70.8768 3.45237 418.928 PRESSAVG: 4324600 -43.4905 -61.91 52.6155 -61.9101 101.135 29.1775 52.6155 29.1775 -39.9247 GPRESSAVG: 4324600 -43.9502 -62.8805 51.333 -60.2526 102.653 29.1971 51.9525 29.4563 -40.9088 TIMING: 4324600 CPU: 12520.2, 0.00288057/step Wall: 12520.2, 0.00288057/step, 0.540427 hours remaining, 211.070312 MB of memory in use. ENERGY: 4324600 731.4393 2102.8186 1918.5130 108.1493 -206574.6130 18166.7253 0.0000 0.0000 34365.0580 -149181.9095 300.1186 -183546.9675 -149087.6511 299.9378 274.8432 306.8045 555351.8055 5.9066 5.9315 PRESSURE: 4324800 84.8997 16.5075 -94.8067 16.5072 27.7725 -195.68 -94.8055 -195.679 22.9544 GPRESSURE: 4324800 104.641 -27.8018 -64.2688 6.3547 88.0626 -209.267 -191.353 -108.203 46.6979 PRESSAVG: 4324800 -63.6666 14.8323 31.9482 14.8322 58.3454 -1.33257 31.9482 -1.33264 21.0969 GPRESSAVG: 4324800 -63.4627 14.3633 30.7987 13.824 57.3297 0.172148 33.1804 -3.05414 22.2741 TIMING: 4324800 CPU: 12520.8, 0.00286713/step Wall: 12520.8, 0.00286713/step, 0.537745 hours remaining, 211.070312 MB of memory in use. ENERGY: 4324800 713.3390 2108.8777 1934.8198 108.2774 -206090.2849 17857.4055 0.0000 0.0000 34246.6211 -149120.9446 299.0843 -183367.5657 -149025.9699 300.0880 45.2089 79.8004 556460.0254 5.2586 5.3804 PRESSURE: 4325000 -94.0283 -48.4217 53.6429 -48.4217 -33.361 62.8969 53.6439 62.8958 204.532 GPRESSURE: 4325000 -33.3032 -121.659 8.95885 32.2221 -4.9021 -67.313 9.90791 120.907 213.938 PRESSAVG: 4325000 4.19517 -26.2013 53.2852 -26.2012 -8.00242 11.5294 53.2851 11.5294 55.0913 GPRESSAVG: 4325000 3.85095 -25.6379 53.0627 -25.1238 -8.23869 7.8112 52.8619 14.3004 55.3875 TIMING: 4325000 CPU: 12521.4, 0.00287003/step Wall: 12521.4, 0.00287003/step, 0.538131 hours remaining, 211.070312 MB of memory in use. ENERGY: 4325000 741.8006 2056.3461 1916.6820 111.0098 -206341.0245 17915.7066 0.0000 0.0000 34368.3734 -149231.1060 300.1476 -183599.4794 -149137.4150 299.3905 25.7141 58.5777 555935.4024 17.0947 16.9999 PRESSURE: 4325200 -259.551 99.0623 91.8352 99.0622 112.154 -46.7449 91.8352 -46.7444 -128.243 GPRESSURE: 4325200 -234.883 81.9944 59.2912 81.2124 139.204 -64.5306 73.8295 -48.9224 -90.7997 PRESSAVG: 4325200 -38.9995 -4.92039 -1.86929 -4.92037 50.372 14.9105 -1.8693 14.9106 -46.9027 GPRESSAVG: 4325200 -38.4265 -5.54758 -2.37617 -5.74692 50.6633 16.9794 0.770153 11.8812 -47.3421 TIMING: 4325200 CPU: 12521.9, 0.00287672/step Wall: 12521.9, 0.00287672/step, 0.539225 hours remaining, 211.070312 MB of memory in use. ENERGY: 4325200 752.0141 2063.5568 1916.6212 122.2119 -205847.7804 17564.4859 0.0000 0.0000 34268.5798 -149160.3108 299.2760 -183428.8906 -149062.2559 299.6418 -91.8799 -62.1596 556881.9947 -11.8434 -11.7018 PRESSURE: 4325400 -142.662 34.337 46.3719 34.3368 157.161 25.9028 46.3718 25.8995 28.243 GPRESSURE: 4325400 -82.3421 -28.847 10.8056 56.0524 173.259 124.465 -14.9286 28.946 43.2436 PRESSAVG: 4325400 -47.6934 11.4435 -49.3701 11.4434 -10.6779 45.5665 -49.3701 45.5665 39.4931 GPRESSAVG: 4325400 -47.2942 11.6557 -48.3706 11.016 -10.1861 44.3999 -50.7162 47.7103 39.1896 TIMING: 4325400 CPU: 12522.5, 0.00290373/step Wall: 12522.5, 0.00290373/step, 0.544127 hours remaining, 211.070312 MB of memory in use. ENERGY: 4325400 738.2050 2052.1459 1949.6796 115.7631 -206153.9770 17761.0528 0.0000 0.0000 34319.6735 -149217.4571 299.7222 -183537.1306 -149130.2161 299.6216 14.2472 44.7203 556426.0780 -6.2927 -6.0969 PRESSURE: 4325600 -79.6898 -93.7425 -78.1537 -93.7426 -150.428 72.855 -78.1537 72.8543 -44.0502 GPRESSURE: 4325600 -96.6367 -66.9985 10.4504 -70.0532 -55.2672 45.4324 -192.746 34.7726 -17.0108 PRESSAVG: 4325600 46.5931 38.6345 -32.274 38.6345 4.82873 48.9016 -32.274 48.9016 -44.7231 GPRESSAVG: 4325600 45.3413 40.0766 -31.748 38.106 5.36719 49.8952 -35.2825 49.7297 -43.9117 TIMING: 4325600 CPU: 12523.1, 0.00288079/step Wall: 12523.1, 0.00288079/step, 0.539669 hours remaining, 211.070312 MB of memory in use. ENERGY: 4325600 713.1118 2139.6406 1937.8001 122.0368 -205922.9941 17524.8336 0.0000 0.0000 34295.5351 -149190.0361 299.5114 -183485.5711 -149096.0144 299.3695 -91.3892 -56.3049 557098.9482 2.2329 2.2656 PRESSURE: 4325800 -157.277 1.31426 -149.994 1.31473 -95.4474 181.986 -149.993 181.987 -78.9053 GPRESSURE: 4325800 -123.853 -6.39655 -26.9108 -80.636 -10.9627 162.676 -208.14 95.4554 -95.2951 PRESSAVG: 4325800 14.0515 0.517809 -4.7599 0.517877 1.01476 8.81811 -4.75989 8.81808 34.0836 GPRESSAVG: 4325800 13.8268 -0.496527 -7.62535 2.3404 0.896945 9.10704 -1.87788 7.41738 34.3806 TIMING: 4325800 CPU: 12523.7, 0.00288294/step Wall: 12523.7, 0.00288294/step, 0.53991 hours remaining, 211.070312 MB of memory in use. ENERGY: 4325800 745.5846 2092.8672 1955.8912 118.9042 -206002.3199 17631.8534 0.0000 0.0000 34141.9594 -149315.2599 298.1702 -183457.2193 -149218.4189 298.5683 -110.5432 -76.7038 557485.4389 16.3833 16.3681 PRESSURE: 4326000 82.0005 113.841 87.0953 113.841 -137.876 85.8039 87.0956 85.8041 36.219 GPRESSURE: 4326000 161.111 108.938 52.4856 108.428 -133.869 50.7597 95.8223 141.075 50.2665 PRESSAVG: 4326000 -10.261 8.43932 3.96456 8.43928 21.9241 -24.6613 3.96449 -24.6612 -20.6184 GPRESSAVG: 4326000 -9.31937 9.82002 3.84559 5.16828 21.1041 -24.1424 4.45051 -25.3761 -20.2119 TIMING: 4326000 CPU: 12524.2, 0.00286933/step Wall: 12524.2, 0.00286933/step, 0.537202 hours remaining, 211.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4326000 740.6289 2053.2959 1975.1370 94.4339 -206303.8100 17712.2468 0.0000 0.0000 34498.1320 -149229.9354 301.2808 -183728.0674 -149128.3981 299.0965 -6.5520 25.8361 554562.6981 -2.9851 -2.8090 PRESSURE: 4326200 -144.562 118.38 -101.337 118.38 220.894 -51.1165 -101.339 -51.115 -88.8562 GPRESSURE: 4326200 -79.7041 87.7758 1.45571 109.878 197.341 19.6786 -229.605 -63.36 -42.5441 PRESSAVG: 4326200 76.9424 10.8946 28.4658 10.8947 -29.6785 23.8372 28.4658 23.8371 -17.7881 GPRESSAVG: 4326200 77.5425 8.83871 30.0767 13.5782 -29.7286 21.4678 28.5573 24.8729 -17.7797 TIMING: 4326200 CPU: 12524.8, 0.00288619/step Wall: 12524.8, 0.00288619/step, 0.540199 hours remaining, 211.070312 MB of memory in use. ENERGY: 4326200 756.6925 2077.9296 1959.2391 118.0722 -205917.3627 17696.5141 0.0000 0.0000 34113.5435 -149195.3718 297.9221 -183308.9153 -149093.0515 300.2619 -4.1749 25.0311 555329.4177 9.8252 10.0114 PRESSURE: 4326400 -14.4437 -4.1493 168.759 -4.14999 -187.289 83.0844 168.759 83.0854 -203.231 GPRESSURE: 4326400 -0.788831 77.0116 141.892 28.8782 -161.49 103.684 173.908 4.35693 -136.129 PRESSAVG: 4326400 -15.0356 33.4279 17.8506 33.428 13.1477 15.1013 17.8506 15.1013 -4.15268 GPRESSAVG: 4326400 -16.901 33.6701 18.8167 34.3491 15.2646 13.9262 16.8584 16.2591 -4.1267 TIMING: 4326400 CPU: 12525.4, 0.00288138/step Wall: 12525.4, 0.00288138/step, 0.539139 hours remaining, 211.070312 MB of memory in use. ENERGY: 4326400 748.2488 2132.4533 1996.2398 111.3212 -206213.3485 17707.6352 0.0000 0.0000 34268.3196 -149249.1306 299.2738 -183517.4502 -149159.8092 299.5038 -134.9880 -99.4693 557134.0835 -2.0135 -1.9210 PRESSURE: 4326600 -123.533 187.579 51.2203 187.578 41.8653 -7.76702 51.2199 -7.76646 -54.0671 GPRESSURE: 4326600 -100.313 249.088 -2.80721 138.679 30.6908 4.06876 78.9137 -49.0902 26.0567 PRESSAVG: 4326600 -15.9461 3.86478 17.0939 3.86473 4.80193 -17.7574 17.094 -17.7573 27.9071 GPRESSAVG: 4326600 -15.4556 5.21599 17.6423 1.13065 3.6812 -16.2335 16.533 -18.4133 28.1977 TIMING: 4326600 CPU: 12526, 0.00287819/step Wall: 12526, 0.00287819/step, 0.538382 hours remaining, 211.070312 MB of memory in use. ENERGY: 4326600 772.4888 2119.3143 1936.9126 115.6004 -206227.0330 17705.0067 0.0000 0.0000 34337.4082 -149240.3021 299.8771 -183577.7102 -149148.3606 299.3185 -45.2450 -14.5217 557544.7001 5.5877 5.4744 PRESSURE: 4326800 37.4988 43.7539 -42.8363 43.7543 177.84 97.0287 -42.8362 97.0282 110.609 GPRESSURE: 4326800 93.227 76.5133 42.5891 143.006 132.512 67.9483 -27.9136 107.425 193.428 PRESSAVG: 4326800 11.766 74.5747 -39.2887 74.5747 34.9946 -11.7825 -39.2886 -11.7825 -14.161 GPRESSAVG: 4326800 13.221 73.5519 -40.9108 75.1533 33.9132 -11.6971 -37.9998 -12.0779 -14.9418 TIMING: 4326800 CPU: 12526.5, 0.00286483/step Wall: 12526.5, 0.00286483/step, 0.535723 hours remaining, 211.070312 MB of memory in use. ENERGY: 4326800 722.3308 2116.2235 1973.5338 115.7344 -206238.1910 17995.8923 0.0000 0.0000 34150.6921 -149163.7840 298.2465 -183314.4761 -149068.0747 299.0237 108.6494 139.7221 557532.0633 10.8665 10.7308 PRESSURE: 4327000 55.0715 -71.7969 -31.249 -71.7981 -214.927 -76.8508 -31.2482 -76.8518 -234.191 GPRESSURE: 4327000 114.313 -78.4766 -7.51458 -117.71 -241.603 -37.8936 25.265 -61.1645 -172.948 PRESSAVG: 4327000 -7.89547 16.0161 28.3749 16.0161 91.9705 -21.724 28.375 -21.724 -70.7601 GPRESSAVG: 4327000 -8.24089 15.3918 30.1006 16.0116 92.4756 -21.3771 28.8852 -22.6518 -71.225 TIMING: 4327000 CPU: 12527.1, 0.00288203/step Wall: 12527.1, 0.00288203/step, 0.53878 hours remaining, 211.070312 MB of memory in use. ENERGY: 4327000 750.9672 2106.4878 1932.3289 108.2116 -206169.4472 17808.8593 0.0000 0.0000 34354.5065 -149108.0859 300.0264 -183462.5923 -149007.8823 299.2069 -131.3491 -100.0793 557331.6517 4.4383 4.3365 PRESSURE: 4327200 -4.21253 -97.3043 -53.3919 -97.3038 -117.36 -60.2292 -53.3922 -60.2299 39.4188 GPRESSURE: 4327200 18.1549 -126.457 -133.931 -34.6165 -76.1557 43.2205 -34.0185 -135.164 67.8622 PRESSAVG: 4327200 21.6916 -4.14212 1.75964 -4.1422 -39.0787 34.2216 1.75962 34.2215 50.5971 GPRESSAVG: 4327200 21.8701 -3.4565 -0.112252 -3.32476 -39.0096 32.6832 2.25351 35.0342 49.9019 TIMING: 4327200 CPU: 12527.7, 0.00286604/step Wall: 12527.7, 0.00286604/step, 0.535632 hours remaining, 211.070312 MB of memory in use. ENERGY: 4327200 754.1828 2101.1592 1936.4169 118.1273 -206073.6219 17787.5983 0.0000 0.0000 34228.3008 -149147.8365 298.9243 -183376.1373 -149049.4722 299.9350 -27.3846 3.2871 557842.0711 11.0700 10.9208 PRESSURE: 4327400 250.061 3.85032 -230.182 3.85048 432.5 -31.8752 -230.182 -31.8742 405.574 GPRESSURE: 4327400 301.229 113.699 -191.493 -97.1496 455.687 -28.3155 -214.887 61.8536 423.463 PRESSAVG: 4327400 -5.73657 -34.423 -34.6432 -34.4229 27.5602 26.6808 -34.6432 26.6808 -27.5851 GPRESSAVG: 4327400 -6.15429 -33.6454 -33.7275 -35.8787 27.4111 29.2296 -33.9866 26.2387 -27.4435 TIMING: 4327400 CPU: 12528.3, 0.00287978/step Wall: 12528.3, 0.00287978/step, 0.538039 hours remaining, 211.070312 MB of memory in use. ENERGY: 4327400 678.7747 2138.5812 1953.4289 129.1340 -206311.7311 18157.5770 0.0000 0.0000 34048.8754 -149205.3599 297.3573 -183254.2353 -149111.3297 299.2160 362.7120 393.4596 556046.7670 -1.9205 -2.0622 PRESSURE: 4327600 -134.259 -28.3349 -54.5448 -28.3352 -235.534 91.4238 -54.545 91.4238 -155.262 GPRESSURE: 4327600 -123.006 -36.8049 23.3912 -61.59 -238.486 108.524 5.14994 99.6612 -69.456 PRESSAVG: 4327600 27.7634 15.0911 -62.8257 15.0911 9.05986 24.6909 -62.8257 24.6909 -11.1711 GPRESSAVG: 4327600 27.8521 16.0924 -62.8193 14.5781 7.96824 23.0971 -63.2523 24.9078 -10.7769 TIMING: 4327600 CPU: 12528.8, 0.00287727/step Wall: 12528.8, 0.00287727/step, 0.53741 hours remaining, 211.070312 MB of memory in use. ENERGY: 4327600 775.4144 2037.1134 1944.2002 112.8950 -206255.0417 17647.3233 0.0000 0.0000 34483.9888 -149254.1066 301.1573 -183738.0954 -149149.8949 299.8169 -175.0182 -143.6492 558525.3258 8.5507 8.3478 PRESSURE: 4327800 -29.6203 108.193 -27.2236 108.194 -19.925 -24.744 -27.2235 -24.7428 -240.966 GPRESSURE: 4327800 3.57791 11.1339 -0.466042 207.016 -6.00042 -91.6252 55.5035 -35.2997 -199.309 PRESSAVG: 4327800 0.364992 -31.4163 -54.2818 -31.4164 24.203 29.2083 -54.2818 29.2084 13.1355 GPRESSAVG: 4327800 0.599445 -33.7628 -54.795 -29.4908 24.3068 29.6549 -55.4746 29.724 13.0918 TIMING: 4327800 CPU: 12529.4, 0.00287427/step Wall: 12529.4, 0.00287427/step, 0.536689 hours remaining, 211.070312 MB of memory in use. ENERGY: 4327800 720.2095 2107.2282 1957.7852 110.0390 -205644.5675 17529.4177 0.0000 0.0000 34054.2681 -149165.6198 297.4044 -183219.8879 -149070.2848 299.2732 -96.8371 -67.2439 557935.1981 12.5678 12.6660 PRESSURE: 4328000 -88.2116 0.771984 61.6564 0.772343 -68.5094 26.7633 61.6555 26.7647 -132.638 GPRESSURE: 4328000 -80.2244 -79.8363 40.0927 35.462 18.8547 64.3194 133.73 60.3514 -133.347 PRESSAVG: 4328000 -10.5219 -2.99541 43.8681 -2.99543 47.3616 7.34157 43.868 7.34165 -38.5833 GPRESSAVG: 4328000 -9.77037 -1.18047 44.657 -5.24422 47.8817 8.31189 45.0384 5.84575 -39.7836 TIMING: 4328000 CPU: 12530, 0.00286637/step Wall: 12530, 0.00286637/step, 0.535057 hours remaining, 211.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4328000 742.2897 2104.4466 1970.7636 102.2147 -206216.1628 17824.1660 0.0000 0.0000 34173.5557 -149298.7265 298.4462 -183472.2822 -149202.0931 298.8305 -96.4531 -64.9055 557439.0092 -0.5812 -0.5574 PRESSURE: 4328200 -279.589 -119.299 -176.125 -119.298 -150.433 18.2169 -176.124 18.2156 -266.512 GPRESSURE: 4328200 -256.359 -157.147 -138.801 -83.9859 -122.257 42.1381 -106.394 8.79505 -220.539 PRESSAVG: 4328200 3.42643 -30.788 23.4587 -30.788 24.8227 28.8263 23.4586 28.8263 -61.6655 GPRESSAVG: 4328200 3.46707 -34.1787 22.9558 -29.7979 24.4488 25.9993 24.6536 29.7148 -61.255 TIMING: 4328200 CPU: 12530.6, 0.00287421/step Wall: 12530.6, 0.00287421/step, 0.53636 hours remaining, 211.070312 MB of memory in use. ENERGY: 4328200 735.4002 2121.1279 1924.6829 114.7514 -205910.0243 17391.1312 0.0000 0.0000 34414.3241 -149208.6067 300.5489 -183622.9308 -149113.3720 299.2418 -232.1777 -199.7184 558096.8216 -11.1388 -11.1130 LDB: ============= START OF LOAD BALANCING ============== 12533.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12533.9 LDB: =============== DONE WITH MIGRATION ================ 12533.9 LDB: ============= START OF LOAD BALANCING ============== 12534.2 LDB: Largest compute 4773 load 0.025314 is 21.5% of average load 0.117968 LDB: Average compute 0.001729 is 1.5% of average load 0.117968 LDB: TIME 12534.2 LOAD: AVG 0.117968 MAX 0.179748 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.844 MB LDB: TIME 12534.2 LOAD: AVG 0.117968 MAX 0.179748 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 12534.2 LOAD: AVG 0.117968 MAX 0.179748 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12534.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12534.2 PRESSURE: 4328400 -141.652 -97.2659 133.773 -97.2689 32.7353 -18.9313 133.772 -18.9312 -24.6794 GPRESSURE: 4328400 -26.7025 -21.1365 192.524 -177.559 88.2776 -80.1224 121.32 53.3148 -89.4113 PRESSAVG: 4328400 2.66825 -2.14322 -23.2839 -2.14326 22.8195 26.1465 -23.284 26.1465 -21.4388 GPRESSAVG: 4328400 2.71098 -2.17148 -24.2023 -2.74074 21.6716 27.1258 -25.8045 26.2677 -20.7691 TIMING: 4328400 CPU: 12531.1, 0.00292279/step Wall: 12531.1, 0.00292279/step, 0.545263 hours remaining, 211.183594 MB of memory in use. ENERGY: 4328400 716.5838 2079.5291 1932.7105 113.7400 -206171.1602 17741.3148 0.0000 0.0000 34446.5040 -149140.7780 300.8299 -183587.2820 -149041.4335 298.8083 -44.5319 -9.2787 559724.6928 1.3497 1.2045 PRESSURE: 4328600 -140.922 -37.2649 100.4 -37.2643 -241 63.9657 100.401 63.9627 183.805 GPRESSURE: 4328600 -129.348 6.28072 112.783 -53.0889 -157.526 179.765 145.786 -2.50281 202.392 PRESSAVG: 4328600 -6.45016 -20.3897 42.5747 -20.3897 -14.8776 -48.1725 42.5747 -48.1724 -8.25978 GPRESSAVG: 4328600 -6.93382 -16.1705 43.6645 -21.2518 -14.5783 -47.7862 42.3211 -49.1741 -8.99137 TIMING: 4328600 CPU: 12531.7, 0.00288763/step Wall: 12531.7, 0.00288763/step, 0.538543 hours remaining, 211.328125 MB of memory in use. ENERGY: 4328600 741.4003 2113.3387 1940.8626 113.2746 -206036.5981 17606.1570 0.0000 0.0000 34346.0803 -149175.4846 299.9529 -183521.5649 -149080.0216 299.6341 -66.0392 -28.1608 558320.6125 -9.8625 -10.1678 PRESSURE: 4328800 334.922 99.377 -133.448 99.3774 303.05 -158.556 -133.447 -158.555 24.1294 GPRESSURE: 4328800 363.694 53.874 -32.2476 105.878 308.653 -189.785 -115.021 -60.5698 88.5055 PRESSAVG: 4328800 27.0083 -26.4223 34.091 -26.4222 -44.1006 10.5971 34.0911 10.5969 -6.61604 GPRESSAVG: 4328800 26.1062 -26.6046 32.8052 -25.9129 -43.9454 10.5025 34.542 11.5883 -6.11496 TIMING: 4328800 CPU: 12532.3, 0.00289894/step Wall: 12532.3, 0.00289894/step, 0.540492 hours remaining, 211.328125 MB of memory in use. ENERGY: 4328800 729.1601 2069.1882 1953.5897 130.3566 -206389.1299 18074.8602 0.0000 0.0000 34226.8468 -149205.1283 298.9116 -183431.9751 -149110.0369 299.8206 220.7004 253.6175 556987.2727 -7.9028 -7.9847 PRESSURE: 4329000 75.1532 -42.9887 -217.173 -42.9878 24.8524 -41.0137 -217.173 -41.014 -328.581 GPRESSURE: 4329000 148.626 -14.9734 -187.877 26.1628 26.7842 -72.0118 -254.317 -136.234 -310.315 PRESSAVG: 4329000 44.4307 -48.6863 -35.797 -48.6864 55.2067 -36.741 -35.797 -36.7409 -69.0164 GPRESSAVG: 4329000 44.098 -50.585 -34.9462 -46.46 55.0287 -36.3444 -34.5113 -35.8523 -68.4641 TIMING: 4329000 CPU: 12532.9, 0.0028711/step Wall: 12532.9, 0.0028711/step, 0.535141 hours remaining, 211.328125 MB of memory in use. ENERGY: 4329000 766.2694 2154.0738 1933.6827 113.2695 -206038.6386 17737.1794 0.0000 0.0000 34085.5601 -149248.6037 297.6777 -183334.1637 -149145.9782 299.4113 -76.1917 -44.9684 557390.6176 10.2070 10.2208 PRESSURE: 4329200 -2.40436 -64.7526 34.9178 -64.7523 5.36115 -84.5607 34.9191 -84.5597 -14.233 GPRESSURE: 4329200 41.1684 -8.01314 48.7 -84.4674 55.3826 -115.046 -6.28656 -110.347 -0.0514423 PRESSAVG: 4329200 68.8007 -57.4799 -65.965 -57.4798 -32.2275 -35.3818 -65.9649 -35.3818 -71.2429 GPRESSAVG: 4329200 68.6402 -56.551 -66.5387 -60.6224 -31.1644 -35.1525 -66.1803 -36.016 -72.0077 TIMING: 4329200 CPU: 12533.5, 0.00287633/step Wall: 12533.5, 0.00287633/step, 0.535956 hours remaining, 211.328125 MB of memory in use. ENERGY: 4329200 744.8010 2087.5950 1939.5598 117.7682 -206433.1933 17966.5604 0.0000 0.0000 34259.3837 -149317.5252 299.1957 -183576.9089 -149223.4488 299.3150 -3.7587 32.1665 558358.9724 -11.5566 -11.5106 PRESSURE: 4329400 -220.143 -102.94 50.5649 -102.94 161.813 22.8853 50.566 22.8869 19.9253 GPRESSURE: 4329400 -204.309 -79.3129 -15.1461 -65.6419 162.808 56.8629 5.96494 -14.113 82.0279 PRESSAVG: 4329400 79.0188 20.0498 -48.8185 20.0497 -29.6174 -18.5379 -48.8186 -18.5379 8.26476 GPRESSAVG: 4329400 80.016 21.4722 -49.4812 20.6337 -30.7492 -19.7435 -48.8328 -19.0569 8.35043 TIMING: 4329400 CPU: 12534, 0.00290533/step Wall: 12534, 0.00290533/step, 0.541198 hours remaining, 211.328125 MB of memory in use. ENERGY: 4329400 756.5903 2032.4292 1937.3044 120.8616 -206320.2504 17877.7696 0.0000 0.0000 34046.1480 -149549.1474 297.3335 -183595.2953 -149456.3591 298.9947 -12.8016 13.5090 557519.9198 19.2221 19.2057 PRESSURE: 4329600 -141.038 -53.4929 36.6849 -53.4918 -129.763 27.7428 36.6841 27.743 -120.391 GPRESSURE: 4329600 -83.4961 -115.725 40.2382 14.1067 -127.047 66.2593 50.8069 119.017 -75.532 PRESSAVG: 4329600 29.249 16.7055 -16.8734 16.7054 -74.7414 -79.9836 -16.8734 -79.9837 43.2537 GPRESSAVG: 4329600 29.1998 14.9537 -15.9427 18.9454 -74.439 -79.8012 -16.3352 -78.3129 43.3304 TIMING: 4329600 CPU: 12534.6, 0.00288199/step Wall: 12534.6, 0.00288199/step, 0.53669 hours remaining, 211.328125 MB of memory in use. ENERGY: 4329600 727.6563 2104.1666 1923.0103 109.0443 -206561.6718 17836.0793 0.0000 0.0000 34165.8339 -149695.8812 298.3787 -183861.7151 -149597.6779 298.4819 -130.3973 -95.3582 557621.2790 -0.7462 -0.6363 PRESSURE: 4329800 -51.5711 -202.823 -29.9429 -202.824 1.19562 6.91309 -29.9435 6.91268 -6.2425 GPRESSURE: 4329800 -11.6516 -198.797 -39.4559 -135.071 61.592 75.2538 -6.71904 17.6885 -16.9621 PRESSAVG: 4329800 -78.793 -83.4856 -18.5401 -83.4857 85.6748 -1.30654 -18.54 -1.30642 2.46205 GPRESSAVG: 4329800 -78.2066 -81.4393 -18.9209 -84.0546 84.7747 -0.239835 -17.8788 -3.18914 2.50371 TIMING: 4329800 CPU: 12535.2, 0.00287432/step Wall: 12535.2, 0.00287432/step, 0.535102 hours remaining, 211.328125 MB of memory in use. ENERGY: 4329800 743.4522 2079.6450 1939.7538 111.1666 -206581.4246 17887.0076 0.0000 0.0000 34196.5409 -149623.8584 298.6469 -183820.3993 -149534.1743 297.9709 -18.8727 10.9928 559042.5778 3.1146 3.0239 PRESSURE: 4330000 15.417 -64.0427 25.7876 -64.0415 -51.3338 59.9271 25.7869 59.9288 -396.891 GPRESSURE: 4330000 39.5324 -124.559 71.3469 -84.8312 -9.84688 -0.436795 53.6521 -18.558 -373.867 PRESSAVG: 4330000 -35.58 0.885026 41.5473 0.885006 70.6822 11.9126 41.5473 11.9127 -32.6026 GPRESSAVG: 4330000 -36.4957 -1.05273 41.2688 -0.690766 71.6728 9.37106 40.6869 13.076 -33.0111 TIMING: 4330000 CPU: 12535.8, 0.00287046/step Wall: 12535.8, 0.00287046/step, 0.534225 hours remaining, 211.328125 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: 4330000 692.7333 2094.9739 1949.4633 103.8104 -206478.4807 17798.6580 0.0000 0.0000 34183.5379 -149655.3039 298.5333 -183838.8418 -149555.2917 298.4335 -144.2693 -114.7272 558102.9816 0.8332 0.7220 PRESSURE: 4330200 -299.974 2.87386 85.7152 2.8722 -54.0055 54.3913 85.7158 54.392 -315.471 GPRESSURE: 4330200 -216.249 78.4548 137.472 44.2923 -46.3961 6.34742 89.2074 64.1991 -313.797 PRESSAVG: 4330200 -9.23365 3.6606 14.5684 3.66066 -15.0279 12.7992 14.5684 12.7992 0.507394 GPRESSAVG: 4330200 -7.64347 2.44061 15.8685 7.92183 -15.7607 14.5389 14.8559 13.7074 -0.0442989 TIMING: 4330200 CPU: 12536.3, 0.00286535/step Wall: 12536.3, 0.00286535/step, 0.533114 hours remaining, 211.328125 MB of memory in use. ENERGY: 4330200 741.6632 2031.5013 1922.8781 114.0164 -206044.9931 17542.9558 0.0000 0.0000 34044.4778 -149647.5005 297.3189 -183691.9784 -149548.9135 297.8817 -223.1502 -192.1473 557743.6562 -7.9180 -7.8162 PRESSURE: 4330400 213.329 -124.198 -104.73 -124.198 -25.1408 -24.1734 -104.729 -24.1749 290.517 GPRESSURE: 4330400 295.418 -156.506 -33.4257 -134.858 -28.5361 30.1624 -112.67 -42.0247 294.309 PRESSAVG: 4330400 -34.3064 -44.7502 9.65641 -44.7502 38.8088 13.9081 9.65635 13.9081 31.2844 GPRESSAVG: 4330400 -33.9993 -43.8062 8.32048 -47.1515 38.8982 13.0281 7.36755 12.939 31.1963 TIMING: 4330400 CPU: 12536.9, 0.00290107/step Wall: 12536.9, 0.00290107/step, 0.5396 hours remaining, 211.328125 MB of memory in use. ENERGY: 4330400 732.4896 2109.9163 1935.4397 109.0839 -206815.3680 18128.5603 0.0000 0.0000 34168.8346 -149631.0434 298.4049 -183799.8781 -149540.9463 298.3106 159.5683 187.0633 556349.2372 11.9289 12.0317 PRESSURE: 4330600 -237.429 25.044 -76.7733 25.0445 40.9314 115.749 -76.7735 115.749 -110.059 GPRESSURE: 4330600 -188.691 96.7493 -76.1327 55.4351 95.0623 144.782 -109.306 63.3505 -109.028 PRESSAVG: 4330600 -13.0856 -9.77076 -0.792976 -9.77066 -10.6959 -31.2111 -0.793037 -31.2112 15.9417 GPRESSAVG: 4330600 -13.9442 -9.14111 -0.362453 -11.1749 -10.8631 -30.7631 2.09052 -32.2452 17.0515 TIMING: 4330600 CPU: 12537.5, 0.00287101/step Wall: 12537.5, 0.00287101/step, 0.533848 hours remaining, 211.328125 MB of memory in use. ENERGY: 4330600 721.7679 2019.3138 1961.7633 118.4150 -206071.7255 17641.3344 0.0000 0.0000 34080.8847 -149528.2463 297.6368 -183609.1309 -149430.2724 298.0085 -102.1853 -67.5525 558195.0584 -2.6133 -2.5853 PRESSURE: 4330800 -119.684 166.204 32.0869 166.205 -368.55 29.0431 32.0868 29.0447 -333.391 GPRESSURE: 4330800 -114.806 216.26 -78.9526 187.092 -287.753 54.1233 79.2781 51.2206 -306.617 PRESSAVG: 4330800 -10.9594 46.1798 -37.3444 46.1798 -22.2753 13.2851 -37.3444 13.285 35.1029 GPRESSAVG: 4330800 -11.6207 46.2563 -34.4916 46.1683 -20.849 14.4188 -39.6103 14.476 34.0286 TIMING: 4330800 CPU: 12538.1, 0.00289809/step Wall: 12538.1, 0.00289809/step, 0.538722 hours remaining, 211.328125 MB of memory in use. ENERGY: 4330800 751.1210 2022.1413 1906.0394 110.8286 -205929.2275 17575.0013 0.0000 0.0000 34161.7959 -149402.3000 298.3435 -183564.0959 -149296.7043 298.6410 -273.8749 -236.3921 559417.3063 0.6227 0.5196 PRESSURE: 4331000 -136.567 124.404 -159.311 124.404 298.037 166.471 -159.312 166.471 92.0484 GPRESSURE: 4331000 -72.8994 184.474 -128.655 39.3843 324.669 165.393 -142.472 84.6494 95.1529 PRESSAVG: 4331000 -20.8058 -23.1103 6.22691 -23.1102 4.01495 10.5209 6.22693 10.5209 2.37626 GPRESSAVG: 4331000 -19.6428 -22.8063 4.02035 -21.4373 2.64113 10.6339 6.26666 10.9115 2.49419 TIMING: 4331000 CPU: 12538.6, 0.00288958/step Wall: 12538.6, 0.00288958/step, 0.53698 hours remaining, 211.328125 MB of memory in use. ENERGY: 4331000 707.7399 2037.8306 1936.7560 108.4705 -206394.8003 17846.4375 0.0000 0.0000 34286.3051 -149471.2606 299.4308 -183757.5657 -149377.3665 298.4000 84.5062 115.6409 556949.0319 -4.8049 -4.8358 PRESSURE: 4331200 354.956 -191.904 49.3834 -191.905 81.8563 -74.1795 49.3849 -74.1806 -28.156 GPRESSURE: 4331200 350.133 -175.374 115.745 -151.373 126.844 23.4573 67.2253 -136.669 38.9927 PRESSAVG: 4331200 -59.6794 8.46355 -15.0273 8.46341 58.5503 -6.32297 -15.0273 -6.32281 20.708 GPRESSAVG: 4331200 -60.4915 9.31644 -16.8862 6.38283 58.6589 -8.44015 -13.9283 -6.02898 21.612 TIMING: 4331200 CPU: 12539.2, 0.00287424/step Wall: 12539.2, 0.00287424/step, 0.53397 hours remaining, 211.328125 MB of memory in use. ENERGY: 4331200 758.7943 2095.6242 1936.9068 96.0871 -206353.0767 18112.2295 0.0000 0.0000 34086.0095 -149267.4254 297.6816 -183353.4349 -149178.8120 298.8513 136.2186 171.9898 557331.8812 6.5263 6.5931 PRESSURE: 4331400 -189.311 -185.86 -83.32 -185.86 -55.6106 -133.503 -83.3188 -133.503 -354.353 GPRESSURE: 4331400 -133.68 -162.506 -40.1979 -257.146 -112.165 -203.039 -55.1586 -135.867 -250.493 PRESSAVG: 4331400 -20.0998 16.3514 -17.354 16.3515 7.15169 10.295 -17.354 10.2949 -45.9902 GPRESSAVG: 4331400 -20.182 14.3378 -14.5574 16.634 7.45416 11.5316 -17.1445 8.43103 -46.0672 TIMING: 4331400 CPU: 12539.8, 0.00289702/step Wall: 12539.8, 0.00289702/step, 0.538041 hours remaining, 211.328125 MB of memory in use. ENERGY: 4331400 726.9142 2096.6108 1951.7141 106.7334 -205752.5248 17507.7591 0.0000 0.0000 34202.0611 -149160.7320 298.6951 -183362.7931 -149062.4722 298.9789 -199.7583 -165.4462 558834.5312 -19.6461 -19.5984 PRESSURE: 4331600 -218.283 -135.165 55.6176 -135.166 -199.592 129.829 55.6169 129.829 -90.0953 GPRESSURE: 4331600 -154.887 -124.506 17.4634 -75.3244 -216.61 129.468 88.9999 160.088 -30.2358 PRESSAVG: 4331600 -8.32351 -57.6661 -44.1617 -57.6661 -27.8325 47.4996 -44.1617 47.4995 26.7227 GPRESSAVG: 4331600 -6.4243 -58.1529 -44.9934 -54.9244 -29.3033 47.9717 -44.3952 47.7166 26.0764 TIMING: 4331600 CPU: 12540.4, 0.00288236/step Wall: 12540.4, 0.00288236/step, 0.535157 hours remaining, 211.328125 MB of memory in use. ENERGY: 4331600 766.2234 2093.4685 1918.7639 105.6188 -205832.3440 17494.5810 0.0000 0.0000 34356.8118 -149096.8765 300.0466 -183453.6883 -149003.0387 299.5051 -169.3232 -133.9110 557225.2235 -3.1444 -3.2170 PRESSURE: 4331800 -107.274 4.2606 -55.8661 4.26105 70.1013 50.2088 -55.8651 50.2096 100.787 GPRESSURE: 4331800 -16.9078 38.7603 -26.9595 -26.9389 88.8976 99.0498 -64.3893 33.9503 89.1679 PRESSAVG: 4331800 -2.89941 -91.5983 -24.0938 -91.5983 21.1155 37.0441 -24.0939 37.0441 20.8241 GPRESSAVG: 4331800 -3.66663 -93.5846 -23.2653 -92.0935 21.4153 37.2199 -24.8148 38.0757 21.3491 TIMING: 4331800 CPU: 12540.9, 0.00288112/step Wall: 12540.9, 0.00288112/step, 0.534767 hours remaining, 211.328125 MB of memory in use. ENERGY: 4331800 762.4225 2089.9542 1919.9339 121.9115 -205947.0751 17585.7417 0.0000 0.0000 34325.3780 -149141.7334 299.7721 -183467.1114 -149040.6712 300.1503 21.2049 53.7193 556119.1568 13.0134 13.0326 PRESSURE: 4332000 -277.681 -136.672 206.393 -136.672 -230.005 -107.656 206.394 -107.656 129.169 GPRESSURE: 4332000 -275.673 -151.386 166.377 -150.947 -92.3267 -77.4391 181.647 -35.9403 92.7062 PRESSAVG: 4332000 -31.0431 -17.9484 92.7234 -17.9483 20.04 28.2869 92.7234 28.2869 29.3985 GPRESSAVG: 4332000 -31.6228 -15.2061 92.2788 -20.2122 21.0982 27.8573 92.666 29.9618 29.2958 TIMING: 4332000 CPU: 12541.5, 0.00288887/step Wall: 12541.5, 0.00288887/step, 0.536046 hours remaining, 211.328125 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: 4332000 791.9441 2068.5556 1961.6922 104.3061 -206003.2737 17445.2412 0.0000 0.0000 34487.4783 -149144.0561 301.1877 -183631.5344 -149040.3654 299.4905 -126.1724 -91.7645 556735.8533 6.1318 6.2571 PRESSURE: 4332200 31.5009 -25.647 -72.0872 -25.6482 -406.869 114.744 -72.0874 114.746 -170.013 GPRESSURE: 4332200 57.7338 -49.5784 -92.97 -12.1223 -326.413 130.142 -40.4967 157.291 -200.305 PRESSAVG: 4332200 28.0873 -34.6848 37.4003 -34.6849 -20.5917 30.2711 37.4004 30.271 13.9621 GPRESSAVG: 4332200 28.5198 -35.76 37.362 -32.986 -21.6062 31.6504 37.1125 27.9604 14.2376 TIMING: 4332200 CPU: 12542.1, 0.00287696/step Wall: 12542.1, 0.00287696/step, 0.533676 hours remaining, 211.328125 MB of memory in use. ENERGY: 4332200 771.3361 2101.7351 1941.4355 111.3768 -205959.1344 17651.7148 0.0000 0.0000 34304.0165 -149077.5196 299.5855 -183381.5361 -148979.5518 299.8545 -181.7936 -156.3281 557852.0074 7.1526 7.0504 LDB: ============= START OF LOAD BALANCING ============== 12545.5 LDB: ============== END OF LOAD BALANCING =============== 12545.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12545.5 LDB: ============= START OF LOAD BALANCING ============== 12545.8 LDB: Largest compute 4773 load 0.025113 is 21.3% of average load 0.118067 LDB: Average compute 0.001726 is 1.5% of average load 0.118067 LDB: TIME 12545.8 LOAD: AVG 0.118067 MAX 0.177003 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.156 MB LDB: TIME 12545.8 LOAD: AVG 0.118067 MAX 0.177003 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: TIME 12545.8 LOAD: AVG 0.118067 MAX 0.177003 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12545.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12545.8 PRESSURE: 4332400 -156.152 67.7198 -93.0184 67.7199 -44.1961 85.0358 -93.0199 85.0374 -164.797 GPRESSURE: 4332400 -123.213 89.5656 -78.7374 48.9186 -15.3677 39.1915 -21.0096 -17.1985 -135.179 PRESSAVG: 4332400 -44.8157 21.1091 -28.6932 21.109 29.963 33.3178 -28.6932 33.3178 -10.5735 GPRESSAVG: 4332400 -44.5232 20.9897 -28.1475 21.1139 29.864 31.1242 -28.3437 33.7758 -11.4418 TIMING: 4332400 CPU: 12542.7, 0.00291803/step Wall: 12542.7, 0.00291803/step, 0.541132 hours remaining, 211.945312 MB of memory in use. ENERGY: 4332400 734.0178 2118.9911 1947.7698 109.1319 -205957.2927 17565.4322 0.0000 0.0000 34367.7529 -149114.1971 300.1421 -183481.9500 -149013.5149 299.1477 -121.7150 -91.2534 558207.0687 -8.4754 -8.7003 PRESSURE: 4332600 -335.241 42.5633 28.1135 42.5632 -259.355 -122.364 28.1136 -122.365 -45.1829 GPRESSURE: 4332600 -313.655 -16.1009 49.5896 108.846 -248.003 -166.577 -24.718 -150.553 13.0289 PRESSAVG: 4332600 -38.8928 56.0106 -27.6217 56.0106 4.66016 -6.47777 -27.6217 -6.47782 39.943 GPRESSAVG: 4332600 -38.857 56.4791 -28.1051 57.4318 4.78264 -5.75228 -27.0451 -6.28032 39.1461 TIMING: 4332600 CPU: 12543.3, 0.00288473/step Wall: 12543.3, 0.00288473/step, 0.534798 hours remaining, 212.144531 MB of memory in use. ENERGY: 4332600 746.5592 2126.4357 1938.5904 97.6331 -205645.0681 17484.5445 0.0000 0.0000 34142.1126 -149109.1925 298.1716 -183251.3052 -149021.2715 299.5682 -213.2598 -182.8763 559497.5663 1.9034 1.6906 PRESSURE: 4332800 -271.656 9.6223 -8.36502 9.62183 -147.104 -142.502 -8.36482 -142.503 -58.4385 GPRESSURE: 4332800 -243.867 20.3913 -39.7312 53.44 -123.136 -165.248 -86.9201 -125.956 -26.2684 PRESSAVG: 4332800 -71.4192 21.6085 -7.59856 21.6084 52.2466 20.4332 -7.59852 20.4332 50.8388 GPRESSAVG: 4332800 -72.7512 21.0798 -6.71551 19.0413 52.321 20.0774 -9.85568 21.8889 52.2728 TIMING: 4332800 CPU: 12543.8, 0.00287596/step Wall: 12543.8, 0.00287596/step, 0.533012 hours remaining, 212.144531 MB of memory in use. ENERGY: 4332800 778.4556 2093.8072 1949.1081 109.2838 -205942.6690 17677.4623 0.0000 0.0000 34378.5203 -148956.0318 300.2362 -183334.5521 -148862.8277 300.3158 -159.0660 -131.0906 558546.9671 10.5554 10.6142 PRESSURE: 4333000 141.108 78.7851 75.911 78.7853 -126.911 -120.518 75.9104 -120.519 -132.744 GPRESSURE: 4333000 143.994 68.1272 66.4002 121.34 -70.2277 -131.775 90.5675 -113.922 -103.116 PRESSAVG: 4333000 -41.7963 9.58827 14.6502 9.58828 -47.7806 19.9725 14.6502 19.9725 48.3141 GPRESSAVG: 4333000 -40.5349 10.5192 13.1667 10.2846 -48.3017 21.5399 16.6044 17.4753 47.5331 TIMING: 4333000 CPU: 12544.4, 0.00288481/step Wall: 12544.4, 0.00288481/step, 0.534492 hours remaining, 212.144531 MB of memory in use. ENERGY: 4333000 726.2357 2151.0036 1965.6673 116.8949 -205925.3265 17731.4758 0.0000 0.0000 34099.6469 -149134.4023 297.8007 -183234.0492 -149041.5258 299.8684 -39.5157 -9.7832 558858.7156 -13.7542 -13.7678 PRESSURE: 4333200 -173.589 -59.5849 -14.654 -59.584 56.5824 134.457 -14.6556 134.457 -185.325 GPRESSURE: 4333200 -126.26 -82.716 -27.1667 -23.949 38.0858 55.3161 -11.5036 96.4333 -114.064 PRESSAVG: 4333200 45.9079 52.3687 48.1558 52.3687 -44.9821 -9.97675 48.1558 -9.97675 6.45679 GPRESSAVG: 4333200 45.6957 51.6126 49.4077 52.0306 -45.1104 -11.7883 47.8923 -9.23088 6.66702 TIMING: 4333200 CPU: 12545, 0.00289403/step Wall: 12545, 0.00289403/step, 0.536038 hours remaining, 212.144531 MB of memory in use. ENERGY: 4333200 784.2848 2180.3579 1933.4701 116.5086 -206132.8096 17887.6391 0.0000 0.0000 34000.5690 -149229.9801 296.9354 -183230.5491 -149135.3591 299.5141 -100.7770 -67.4127 559013.5791 2.4608 2.4174 PRESSURE: 4333400 145.39 -60.178 24.5304 -60.1776 4.8847 89.9369 24.531 89.9374 -289.5 GPRESSURE: 4333400 159.328 -64.272 52.5586 -9.17389 88.9694 113.203 45.3143 22.5277 -291.229 PRESSAVG: 4333400 -57.3775 20.6565 25.0999 20.6565 71.0281 -38.7046 25.0999 -38.7048 -34.5688 GPRESSAVG: 4333400 -57.2165 21.2008 23.531 22.0694 71.8385 -37.5873 25.8777 -40.34 -34.876 TIMING: 4333400 CPU: 12545.6, 0.00287647/step Wall: 12545.6, 0.00287647/step, 0.532627 hours remaining, 212.144531 MB of memory in use. ENERGY: 4333400 764.1444 2089.1795 1955.9549 107.5382 -206042.1751 17806.8793 0.0000 0.0000 33971.3703 -149347.1083 296.6804 -183318.4787 -149244.6954 298.5827 -46.4084 -14.3108 557671.8265 -6.9727 -6.7513 PRESSURE: 4333600 -145.19 -94.2489 57.654 -94.2498 -53.385 -142.174 57.6537 -142.173 81.5679 GPRESSURE: 4333600 -48.8634 -23.5677 108.624 -139.198 -77.962 -164.178 -41.5571 -89.6233 111.634 PRESSAVG: 4333600 -33.9119 -10.1522 72.3307 -10.1522 20.0148 -46.6834 72.3308 -46.6835 -19.8513 GPRESSAVG: 4333600 -35.0724 -9.10955 73.9114 -12.8595 19.6344 -47.8853 68.0448 -44.6302 -18.459 TIMING: 4333600 CPU: 12546.1, 0.00287741/step Wall: 12546.1, 0.00287741/step, 0.53264 hours remaining, 212.144531 MB of memory in use. ENERGY: 4333600 758.5697 2048.6229 1925.7949 112.8101 -206368.3319 17761.2822 0.0000 0.0000 34292.4064 -149468.8457 299.4841 -183761.2521 -149374.6747 298.9808 -39.0023 -5.0637 555901.9036 -11.2495 -11.2990 PRESSURE: 4333800 156.37 -43.9437 244.612 -43.9451 -135.852 -96.1281 244.612 -96.1291 -302.249 GPRESSURE: 4333800 168.901 -90.164 247.915 -6.30565 -99.8637 -139.423 189.372 -44.2576 -252.34 PRESSAVG: 4333800 34.5482 8.53637 65.1958 8.53641 47.5884 -9.86695 65.1958 -9.86688 -93.3945 GPRESSAVG: 4333800 35.3294 8.12716 63.4113 10.3592 47.6618 -9.85447 67.5231 -10.6226 -94.6784 TIMING: 4333800 CPU: 12546.7, 0.00286278/step Wall: 12546.7, 0.00286278/step, 0.529774 hours remaining, 212.144531 MB of memory in use. ENERGY: 4333800 725.5282 2059.1483 1936.2942 107.7102 -206140.2805 17698.5702 0.0000 0.0000 34219.0202 -149394.0092 298.8432 -183613.0294 -149291.0726 298.4761 -93.9104 -61.1008 556736.8328 -3.7527 -3.8957 PRESSURE: 4334000 -180.028 90.0917 99.9549 90.0915 66.766 83.6639 99.955 83.664 -102.281 GPRESSURE: 4334000 -189.906 16.9642 114.912 147.523 92.1428 -29.3653 48.7595 200.42 -24.179 PRESSAVG: 4334000 72.5785 20.9274 50.0889 20.9276 6.91652 1.68107 50.0889 1.68103 -33.5257 GPRESSAVG: 4334000 73.2501 19.8838 51.1184 21.0832 7.42643 2.14336 50.155 1.56556 -33.9478 TIMING: 4334000 CPU: 12547.3, 0.00287421/step Wall: 12547.3, 0.00287421/step, 0.531729 hours remaining, 212.144531 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: 4334000 755.1522 2148.6500 1913.4703 114.4106 -206244.4141 17785.2609 0.0000 0.0000 34173.0601 -149354.4098 298.4418 -183527.4700 -149259.0532 299.8158 -71.8477 -40.6474 556396.0649 15.3231 15.5762 PRESSURE: 4334200 186.91 -4.56724 54.2742 -4.56622 -20.8328 -11.4739 54.2744 -11.4723 -3.36913 GPRESSURE: 4334200 203.992 96.649 99.9212 -83.3459 43.5145 -61.8822 165.319 20.9658 21.5897 PRESSAVG: 4334200 -39.3564 22.0501 1.94382 22.0501 48.4567 -67.9486 1.94383 -67.9486 70.3535 GPRESSAVG: 4334200 -40.3284 21.5287 1.04291 23.0318 49.0867 -67.4752 1.71409 -69.6436 70.6961 TIMING: 4334200 CPU: 12547.9, 0.00284977/step Wall: 12547.9, 0.00284977/step, 0.527049 hours remaining, 212.144531 MB of memory in use. ENERGY: 4334200 759.7436 2110.4588 1949.0002 120.3528 -206531.5863 18115.9011 0.0000 0.0000 34121.2385 -149354.8913 297.9893 -183476.1298 -149249.9163 299.5868 54.2361 89.6987 555788.7917 26.4846 26.4848 PRESSURE: 4334400 122.294 -108.267 163.527 -108.268 177.31 179.644 163.527 179.643 33.6116 GPRESSURE: 4334400 174.122 -47.9262 83.3454 -38.6032 206.574 208.063 106.793 149.203 60.1809 PRESSAVG: 4334400 -1.3402 -37.8401 33.146 -37.84 20.9899 11.5331 33.146 11.5331 -35.2611 GPRESSAVG: 4334400 -2.01716 -36.0031 31.2747 -38.4719 20.3729 8.15386 33.465 14.4185 -34.2882 TIMING: 4334400 CPU: 12548.4, 0.00285582/step Wall: 12548.4, 0.00285582/step, 0.528009 hours remaining, 212.144531 MB of memory in use. ENERGY: 4334400 742.0918 2109.8750 1921.0339 125.2089 -206332.8837 17900.0953 0.0000 0.0000 34181.9728 -149352.6060 298.5197 -183534.5789 -149254.9634 298.8257 111.0717 146.9591 556652.6657 -5.2038 -5.3108 PRESSURE: 4334600 -170.628 42.6991 198.765 42.6986 23.5468 -34.4006 198.766 -34.4001 213.986 GPRESSURE: 4334600 -76.2848 12.6985 239.827 82.8058 24.1284 -56.126 84.6745 -28.8129 210.502 PRESSAVG: 4334600 -27.6855 -19.8672 28.0946 -19.8672 9.68786 14.3866 28.0945 14.3867 7.76612 GPRESSAVG: 4334600 -26.7675 -21.697 31.1744 -17.6657 8.83319 16.0806 26.2039 12.5593 7.5052 TIMING: 4334600 CPU: 12549, 0.00288073/step Wall: 12549, 0.00288073/step, 0.532455 hours remaining, 212.144531 MB of memory in use. ENERGY: 4334600 727.3033 2053.9136 1957.0238 117.4945 -206294.6754 17837.2782 0.0000 0.0000 34327.4094 -149274.2525 299.7898 -183601.6619 -149182.5604 298.6107 22.3016 52.7818 556935.2931 -3.4105 -3.4764 PRESSURE: 4334800 -102.909 42.32 103.869 42.3185 121.469 -95.8149 103.869 -95.817 258.396 GPRESSURE: 4334800 -80.2429 70.6478 120.037 -47.5603 143.183 -169.733 87.0625 -174.362 335.455 PRESSAVG: 4334800 42.9149 -4.39943 6.08112 -4.39942 -24.7827 3.21347 6.08114 3.21347 28.3927 GPRESSAVG: 4334800 41.8241 -2.55936 5.34357 -9.40431 -22.8647 4.34354 6.31513 3.46897 27.8024 TIMING: 4334800 CPU: 12549.6, 0.00289372/step Wall: 12549.6, 0.00289372/step, 0.534695 hours remaining, 212.144531 MB of memory in use. ENERGY: 4334800 749.2348 2090.7032 1966.4709 109.4847 -206261.6568 17793.1067 0.0000 0.0000 34151.4972 -149401.1592 298.2535 -183552.6564 -149298.7425 298.6878 92.3186 132.7982 556301.3705 15.5083 15.5873 PRESSURE: 4335000 -167.598 -51.9217 61.6761 -51.9215 -0.0133416 -72.9414 61.6758 -72.941 -59.6892 GPRESSURE: 4335000 -93.282 -47.4943 39.0265 -20.511 -7.34526 -18.3105 128.796 -37.5174 -27.6416 PRESSAVG: 4335000 30.8813 18.7482 -31.0227 18.7481 -14.1531 -77.1927 -31.0226 -77.1926 -2.94901 GPRESSAVG: 4335000 32.0869 19.0829 -30.7604 21.1409 -15.5062 -77.8913 -31.284 -77.886 -3.05414 TIMING: 4335000 CPU: 12550.2, 0.00288669/step Wall: 12550.2, 0.00288669/step, 0.533236 hours remaining, 212.144531 MB of memory in use. ENERGY: 4335000 725.2346 2125.7238 1979.9151 121.3192 -206135.3951 17735.2215 0.0000 0.0000 34164.6964 -149283.2847 298.3688 -183447.9811 -149183.4526 299.0494 -75.7667 -42.7563 557261.0978 4.5931 4.5089 PRESSURE: 4335200 -49.6567 -63.0928 37.3284 -63.0931 -184.334 37.8851 37.3281 37.885 -172.358 GPRESSURE: 4335200 -0.663361 -125.915 145.471 -2.11599 -152.477 77.1662 -66.7177 38.0838 -147.757 PRESSAVG: 4335200 29.7418 11.9722 -25.8355 11.9721 43.5219 -24.8471 -25.8354 -24.8471 -59.1222 GPRESSAVG: 4335200 28.7372 10.1578 -27.3698 12.0368 44.3446 -25.9389 -24.0898 -23.7326 -59.1792 TIMING: 4335200 CPU: 12550.7, 0.00289002/step Wall: 12550.7, 0.00289002/step, 0.53369 hours remaining, 212.144531 MB of memory in use. ENERGY: 4335200 748.2070 2096.1455 1959.2388 117.1920 -205974.1989 17691.2420 0.0000 0.0000 34104.4478 -149257.7257 297.8426 -183362.1736 -149163.6013 298.8992 -135.4497 -100.2993 557368.9539 4.7138 4.6342 PRESSURE: 4335400 115.708 -31.6662 -89.3826 -31.6652 16.3424 63.2563 -89.3826 63.2576 -221.415 GPRESSURE: 4335400 178.795 -26.9255 -119.107 -97.0897 25.4563 87.0269 57.1716 15.1488 -194.851 PRESSAVG: 4335400 25.8511 -55.3176 44.6633 -55.3177 67.302 12.985 44.6634 12.985 -77.4857 GPRESSAVG: 4335400 25.2703 -54.1089 45.5205 -54.4879 67.6535 14.5105 44.2727 11.6476 -76.8931 TIMING: 4335400 CPU: 12551.3, 0.00291536/step Wall: 12551.3, 0.00291536/step, 0.538208 hours remaining, 212.144531 MB of memory in use. ENERGY: 4335400 737.9010 2114.2667 1949.1424 121.3941 -205840.8329 17738.1858 0.0000 0.0000 34066.2361 -149113.7068 297.5089 -183179.9428 -149019.4018 299.9061 -29.7883 3.1334 559342.0671 5.2225 5.3435 PRESSURE: 4335600 3.36049 -38.0176 -81.9174 -38.0181 -269.736 100.969 -81.9156 100.969 -24.4793 GPRESSURE: 4335600 46.4144 -19.0616 46.6185 -132.899 -202.751 88.0899 -134.777 19.862 -32.8943 PRESSAVG: 4335600 63.98 -5.4587 53.9975 -5.45876 15.2771 41.8716 53.9976 41.8714 -83.5804 GPRESSAVG: 4335600 64.0902 -4.89047 54.3198 -7.94881 14.7827 44.1304 55.1738 40.9424 -83.1101 TIMING: 4335600 CPU: 12551.9, 0.00288797/step Wall: 12551.9, 0.00288797/step, 0.532991 hours remaining, 212.144531 MB of memory in use. ENERGY: 4335600 766.4993 2062.8572 1940.8017 115.5203 -206352.1154 17870.4369 0.0000 0.0000 34400.1262 -149195.8738 300.4249 -183596.0000 -149100.3335 298.8255 -96.9516 -63.0770 559630.2044 -1.4411 -1.4124 PRESSURE: 4335800 128.517 25.7954 172.838 25.7938 -196.369 -160.569 172.838 -160.569 -245.817 GPRESSURE: 4335800 87.9107 43.7972 172.2 -15.3648 -170.053 -208.722 156.203 -143.487 -145.153 PRESSAVG: 4335800 -9.88854 -22.4989 67.1132 -22.4989 19.9835 39.2273 67.1132 39.2272 -54.6801 GPRESSAVG: 4335800 -9.66605 -23.6019 67.1114 -21.8848 18.8481 39.1049 65.9997 40.6421 -54.0384 TIMING: 4335800 CPU: 12552.5, 0.00287655/step Wall: 12552.5, 0.00287655/step, 0.530724 hours remaining, 212.144531 MB of memory in use. ENERGY: 4335800 789.4635 2108.3679 1966.4030 118.7086 -206451.6523 17967.2096 0.0000 0.0000 34140.2167 -149361.2830 298.1550 -183501.4996 -149260.9170 298.8298 -104.5566 -75.7649 558386.2600 -14.8617 -14.9521 PRESSURE: 4336000 -42.4337 -12.4343 -96.2153 -12.4339 -136.726 52.7012 -96.2151 52.7001 -121.958 GPRESSURE: 4336000 -14.277 -46.5632 -78.5466 29.1981 -110.493 96.1322 -42.1424 -65.7106 -80.5881 PRESSAVG: 4336000 77.507 51.2126 35.0909 51.2127 -27.4353 28.0473 35.0909 28.0472 -36.1064 GPRESSAVG: 4336000 77.5377 52.4384 37.5407 53.1245 -26.5414 25.2146 31.3092 28.254 -37.5826 TIMING: 4336000 CPU: 12553.1, 0.00286604/step Wall: 12553.1, 0.00286604/step, 0.528626 hours remaining, 212.144531 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: 4336000 759.2214 2091.8812 1966.3831 107.9244 -206503.9515 17839.2096 0.0000 0.0000 34330.9741 -149408.3576 299.8209 -183739.3318 -149313.7782 298.6681 -100.3724 -68.4528 556675.9606 4.6551 4.4712 PRESSURE: 4336200 -353.186 198.237 -104.76 198.239 -379.652 -68.3079 -104.759 -68.3049 -187.23 GPRESSURE: 4336200 -311.543 119.239 -145.727 152.377 -323.538 9.37788 -44.4456 -133.083 -181.741 PRESSAVG: 4336200 -27.5218 3.46897 -20.0641 3.46901 32.8839 28.8894 -20.0642 28.8895 -18.9903 GPRESSAVG: 4336200 -27.0628 2.00006 -22.198 1.95737 32.2465 31.6749 -15.6377 28.0774 -18.2729 TIMING: 4336200 CPU: 12553.6, 0.00287364/step Wall: 12553.6, 0.00287364/step, 0.529868 hours remaining, 212.144531 MB of memory in use. ENERGY: 4336200 729.4103 2108.8861 1955.8421 106.2964 -205837.9690 17351.7274 0.0000 0.0000 34261.4991 -149324.3076 299.2142 -183585.8067 -149226.1459 298.9306 -306.6891 -272.2742 556941.1866 -4.5428 -4.3631 LDB: ============= START OF LOAD BALANCING ============== 12557 LDB: ============== END OF LOAD BALANCING =============== 12557 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12557 LDB: ============= START OF LOAD BALANCING ============== 12557.3 LDB: Largest compute 4772 load 0.025746 is 21.8% of average load 0.118049 LDB: Average compute 0.001734 is 1.5% of average load 0.118049 LDB: TIME 12557.3 LOAD: AVG 0.118049 MAX 0.180072 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.918 MB LDB: TIME 12557.3 LOAD: AVG 0.118049 MAX 0.180072 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.16 MB LDB: TIME 12557.3 LOAD: AVG 0.118049 MAX 0.180072 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.16 MB LDB: ============== END OF LOAD BALANCING =============== 12557.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12557.3 PRESSURE: 4336400 -391.745 -1.24799 125.648 -1.24801 -158.415 33.6916 125.649 33.6929 -156.971 GPRESSURE: 4336400 -398.691 10.9214 148.94 9.50488 -115.18 46.2361 135.749 19.0433 -96.1844 PRESSAVG: 4336400 -80.7926 25.3928 33.6641 25.3928 25.0506 10.7452 33.6642 10.7452 55.1459 GPRESSAVG: 4336400 -80.9576 26.1818 30.7509 25.2011 26.1399 10.2229 33.3486 10.768 54.4131 TIMING: 4336400 CPU: 12554.2, 0.00293772/step Wall: 12554.2, 0.00293772/step, 0.54152 hours remaining, 211.500000 MB of memory in use. ENERGY: 4336400 753.7712 2051.2476 1986.5886 117.9168 -206158.2826 17553.1379 0.0000 0.0000 34414.6414 -149280.9791 300.5516 -183695.6205 -149186.4893 299.4101 -235.7101 -203.3517 557496.1490 -0.1987 -0.1349 PRESSURE: 4336600 159.905 4.12408 49.1539 4.125 -260.612 -91.7531 49.1537 -91.7528 7.96779 GPRESSURE: 4336600 209.691 -11.9295 18.0315 51.1538 -274.57 -155.306 -10.3982 -71.4107 68.3117 PRESSAVG: 4336600 -33.5173 68.6485 71.4404 68.6485 -50.0231 2.51963 71.4403 2.51961 42.365 GPRESSAVG: 4336600 -33.4807 66.8073 75.2026 70.124 -50.4339 2.72746 69.028 2.26875 42.7282 TIMING: 4336600 CPU: 12554.8, 0.00288391/step Wall: 12554.8, 0.00288391/step, 0.531441 hours remaining, 211.757812 MB of memory in use. ENERGY: 4336600 736.5175 2099.4178 1964.7505 102.1734 -206119.3840 17765.3519 0.0000 0.0000 34195.1931 -149255.9797 298.6351 -183451.1728 -149161.4702 298.9605 -30.9130 1.1442 557118.5808 -13.7251 -13.7288 PRESSURE: 4336800 -200.059 -119.12 -122.269 -119.119 -55.5768 -218.646 -122.268 -218.647 -89.5485 GPRESSURE: 4336800 -122.758 -120.389 -152.662 -157.53 -61.7565 -243.631 -89.571 -174.194 -71.0845 PRESSAVG: 4336800 45.9278 -3.4783 35.0123 -3.47828 -53.6166 21.1875 35.0122 21.1874 25.3958 GPRESSAVG: 4336800 45.8109 -2.36922 35.6397 -3.96222 -53.905 19.6983 35.7391 21.1742 25.7697 TIMING: 4336800 CPU: 12555.4, 0.00287595/step Wall: 12555.4, 0.00287595/step, 0.529814 hours remaining, 212.019531 MB of memory in use. ENERGY: 4336800 786.8892 2098.9427 1986.4375 99.8598 -206107.1041 17620.2282 0.0000 0.0000 34401.9049 -149112.8417 300.4404 -183514.7466 -149015.0105 299.5503 -115.0614 -85.1996 556509.3828 5.9023 5.8918 PRESSURE: 4337000 289.71 56.0608 35.4042 56.0597 -165.116 130.981 35.4042 130.98 393.244 GPRESSURE: 4337000 275.924 95.82 -34.3018 39.5164 -138.789 33.2666 99.639 139.396 478.363 PRESSAVG: 4337000 -6.8507 -21.6511 -9.98609 -21.6511 16.9439 -31.698 -9.98602 -31.6978 41.248 GPRESSAVG: 4337000 -6.41762 -21.9309 -12.0527 -22.3454 16.9026 -32.1861 -8.1662 -31.3864 41.3744 TIMING: 4337000 CPU: 12555.9, 0.00287952/step Wall: 12555.9, 0.00287952/step, 0.530312 hours remaining, 212.019531 MB of memory in use. ENERGY: 4337000 772.2795 2056.8751 1945.9170 120.5470 -206378.3332 18043.9079 0.0000 0.0000 34262.1359 -149176.6708 299.2198 -183438.8067 -149084.2269 299.2414 172.6126 205.1662 555622.9685 17.1138 17.2865 PRESSURE: 4337200 -98.3556 66.7019 -133.551 66.7023 44.0032 -51.8855 -133.552 -51.8871 65.694 GPRESSURE: 4337200 -51.5098 87.6946 -180.683 101.617 47.625 17.2748 -148.887 -76.5871 117.855 PRESSAVG: 4337200 23.6016 20.6574 -29.921 20.6574 -59.3527 56.2803 -29.9211 56.2804 23.2564 GPRESSAVG: 4337200 22.383 20.04 -28.7586 20.9066 -58.9626 57.0535 -30.5512 55.5545 23.9244 TIMING: 4337200 CPU: 12556.5, 0.00287541/step Wall: 12556.5, 0.00287541/step, 0.529395 hours remaining, 212.019531 MB of memory in use. ENERGY: 4337200 744.0026 2177.5172 1951.5298 114.5422 -206375.9467 17802.4610 0.0000 0.0000 34265.0423 -149320.8515 299.2451 -183585.8938 -149223.3111 298.8236 3.7805 37.9901 556920.9294 -4.1649 -4.2184 PRESSURE: 4337400 16.1323 38.5498 -27.651 38.5492 -40.1347 -269.533 -27.6507 -269.532 -237.549 GPRESSURE: 4337400 76.026 70.8889 23.7222 9.20703 -14.8197 -245.71 -27.6355 -235.407 -234.426 PRESSAVG: 4337400 -27.0502 -14.6645 15.3245 -14.6646 -16.9622 43.1878 15.3246 43.1879 21.5097 GPRESSAVG: 4337400 -27.0235 -14.2436 15.2767 -14.3198 -17.0536 41.47 14.0157 43.6928 21.1654 TIMING: 4337400 CPU: 12557.1, 0.00287449/step Wall: 12557.1, 0.00287449/step, 0.529066 hours remaining, 212.019531 MB of memory in use. ENERGY: 4337400 745.7921 2090.6234 1954.9283 125.2124 -206332.7505 17749.8092 0.0000 0.0000 34086.2199 -149580.1651 297.6834 -183666.3850 -149487.9178 298.6920 -87.1840 -57.7399 557465.6997 -7.5009 -7.6372 PRESSURE: 4337600 -280.523 -80.2616 141.189 -80.2621 -56.6642 35.5233 141.189 35.5242 -394.876 GPRESSURE: 4337600 -246.294 -161.388 91.6775 -68.0621 -43.8492 -4.32223 163.519 40.5175 -352.065 PRESSAVG: 4337600 -57.0736 -25.9365 41.5647 -25.9365 9.14878 -38.8171 41.5647 -38.8171 7.04208 GPRESSAVG: 4337600 -56.2243 -25.0273 40.0276 -27.1514 10.0572 -37.6234 41.9027 -39.0165 5.71341 TIMING: 4337600 CPU: 12557.7, 0.00287217/step Wall: 12557.7, 0.00287217/step, 0.528479 hours remaining, 212.019531 MB of memory in use. ENERGY: 4337600 755.9011 2135.8580 1981.6819 116.0645 -205871.1006 17504.0707 0.0000 0.0000 33985.5561 -149391.9682 296.8043 -183377.5243 -149292.6622 298.0745 -244.0212 -214.0695 556962.0770 -13.6276 -13.4846 PRESSURE: 4337800 -214.134 10.7479 171.792 10.7467 -4.57822 -43.6528 171.793 -43.6532 -98.7919 GPRESSURE: 4337800 -143.84 5.61153 105.82 27.4596 48.6817 7.94319 150.893 -76.176 -123.49 PRESSAVG: 4337800 -10.4971 15.1759 45.9634 15.176 -11.348 -35.1858 45.9635 -35.1859 41.9656 GPRESSAVG: 4337800 -12.1574 15.4682 44.588 15.6228 -10.8085 -34.4997 49.1085 -36.3254 42.6579 TIMING: 4337800 CPU: 12558.2, 0.0028687/step Wall: 12558.2, 0.0028687/step, 0.527681 hours remaining, 212.019531 MB of memory in use. ENERGY: 4337800 732.3584 2140.7003 1959.1413 116.8037 -206233.9404 17687.8748 0.0000 0.0000 34186.5119 -149410.5499 298.5593 -183597.0618 -149312.3635 298.2195 -105.8348 -72.8828 556878.1753 6.7068 6.5640 PRESSURE: 4338000 -54.8187 202.572 103.018 202.572 -103.18 -1.26513 103.02 -1.26414 -35.33 GPRESSURE: 4338000 -33.3092 179.162 89.7491 237.662 -57.3084 36.4891 17.7508 -16.8266 2.85638 PRESSAVG: 4338000 32.7767 56.4449 -13.0168 56.4449 28.0732 -12.0584 -13.0169 -12.0584 -46.5697 GPRESSAVG: 4338000 34.5658 53.4961 -12.8009 58.248 26.2901 -11.5532 -14.7749 -12.3684 -46.684 TIMING: 4338000 CPU: 12558.8, 0.00286071/step Wall: 12558.8, 0.00286071/step, 0.526054 hours remaining, 212.019531 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: 4338000 746.7405 2099.7588 1990.2416 125.7597 -206557.3098 17928.2450 0.0000 0.0000 34263.9576 -149402.6066 299.2357 -183666.5642 -149309.0996 298.4893 -64.4430 -29.2537 558205.6220 4.7601 4.7240 PRESSURE: 4338200 -239.393 99.1755 -29.9251 99.1767 -238.784 -132.121 -29.9252 -132.12 84.7025 GPRESSURE: 4338200 -228.071 51.2785 -25.2691 100.206 -199.458 -141.418 -103.636 -96.639 136.61 PRESSAVG: 4338200 -89.1752 -33.7386 1.63843 -33.7385 80.1921 -42.3972 1.63836 -42.3972 0.400679 GPRESSAVG: 4338200 -88.7978 -30.1944 2.8546 -34.6426 79.3719 -41.3796 0.982657 -42.9601 0.812233 TIMING: 4338200 CPU: 12559.4, 0.00288818/step Wall: 12559.4, 0.00288818/step, 0.530944 hours remaining, 212.031250 MB of memory in use. ENERGY: 4338200 724.2401 2125.5006 1945.7754 112.8405 -206116.5272 17639.1929 0.0000 0.0000 34033.9813 -149534.9963 297.2272 -183568.9776 -149434.7739 298.3566 -131.1581 -96.9731 556999.8857 -2.8608 -2.8712 PRESSURE: 4338400 -52.5003 -210.184 168.883 -210.183 102.366 4.55029 168.882 4.54887 124.397 GPRESSURE: 4338400 18.6962 -268.968 118.907 -190.568 151.659 -20.2905 108.464 30.9427 104.3 PRESSAVG: 4338400 -51.9763 19.6248 1.85767 19.6247 2.76327 -38.8135 1.85771 -38.8135 28.1896 GPRESSAVG: 4338400 -52.6021 17.9226 2.20578 17.9853 3.60131 -39.0448 3.0336 -39.3827 27.9632 TIMING: 4338400 CPU: 12560, 0.00287973/step Wall: 12560, 0.00287973/step, 0.52923 hours remaining, 212.031250 MB of memory in use. ENERGY: 4338400 753.9274 2076.5483 1925.9057 108.7747 -206775.7970 18002.1196 0.0000 0.0000 34225.5446 -149682.9767 298.9002 -183908.5213 -149575.0307 298.2415 58.0876 91.5515 556008.1350 -7.0078 -7.0125 PRESSURE: 4338600 398.18 71.8088 68.55 71.8096 63.1264 -17.6465 68.5512 -17.647 46.2924 GPRESSURE: 4338600 426.966 -6.99696 41.5059 37.2354 121.093 44.7034 20.1815 -128.833 58.8079 PRESSAVG: 4338600 -15.5603 -14.5801 47.9076 -14.58 -52.2487 42.8397 47.9076 42.8396 76.1677 GPRESSAVG: 4338600 -15.5058 -12.3621 47.8238 -13.9845 -51.9753 42.5654 46.5556 44.3691 75.4371 TIMING: 4338600 CPU: 12560.5, 0.00287676/step Wall: 12560.5, 0.00287676/step, 0.528525 hours remaining, 212.031250 MB of memory in use. ENERGY: 4338600 743.2772 2085.9152 1977.2439 106.2203 -206978.7623 18291.3887 0.0000 0.0000 34275.8953 -149498.8218 299.3399 -183774.7171 -149400.8074 298.1932 169.1997 202.2890 556925.0917 2.7862 2.6520 PRESSURE: 4338800 81.1085 -95.2001 -38.8923 -95.1989 69.1583 169.809 -38.8926 169.81 80.1954 GPRESSURE: 4338800 97.6006 -172.513 -158.001 -62.098 89.866 213.853 -39.7384 75.9158 149.982 PRESSAVG: 4338800 27.6297 -4.01287 10.4027 -4.01292 -29.6707 0.834955 10.4027 0.834999 21.0242 GPRESSAVG: 4338800 26.6344 -6.72521 9.51501 -2.31934 -29.6966 -1.98553 12.2226 2.59804 21.7393 TIMING: 4338800 CPU: 12561.1, 0.00287128/step Wall: 12561.1, 0.00287128/step, 0.527359 hours remaining, 212.031250 MB of memory in use. ENERGY: 4338800 745.1347 2073.7762 1948.6631 118.2161 -206566.1413 18065.2152 0.0000 0.0000 34213.8753 -149401.2608 298.7983 -183615.1360 -149307.9561 298.9009 76.8207 112.4829 556756.2137 6.3277 6.2257 PRESSURE: 4339000 -104.637 -117.572 174.681 -117.573 85.2529 112.204 174.681 112.204 -196.034 GPRESSURE: 4339000 25.9392 -61.2108 159.437 -105.974 48.9286 83.201 74.3299 122.353 -186.321 PRESSAVG: 4339000 48.195 5.63524 21.1408 5.63525 -31.1426 29.5829 21.1408 29.583 -22.9019 GPRESSAVG: 4339000 48.6489 6.73609 21.6209 3.3648 -32.0208 32.4627 19.1791 26.6909 -22.7019 TIMING: 4339000 CPU: 12561.7, 0.00286981/step Wall: 12561.7, 0.00286981/step, 0.526929 hours remaining, 212.031250 MB of memory in use. ENERGY: 4339000 708.7340 2089.3004 1957.0877 106.8677 -206426.2563 17800.1373 0.0000 0.0000 34210.9540 -149553.1752 298.7728 -183764.1292 -149454.1360 298.4433 -71.8060 -37.1509 557237.8795 -1.9498 -2.0246 PRESSURE: 4339200 -62.1944 99.6356 -98.2545 99.6366 -91.6245 15.1534 -98.2546 15.1535 -146.442 GPRESSURE: 4339200 -9.72229 28.8124 -79.9483 92.8099 -94.1345 -6.87529 -47.8799 73.4388 -89.9069 PRESSAVG: 4339200 37.8472 37.0521 -16.9727 37.0521 -27.0888 10.2989 -16.9726 10.299 -1.91787 GPRESSAVG: 4339200 38.8194 37.9177 -16.8206 39.1723 -27.2988 11.2764 -17.284 13.0018 -2.56543 TIMING: 4339200 CPU: 12562.3, 0.00286986/step Wall: 12562.3, 0.00286986/step, 0.526779 hours remaining, 212.031250 MB of memory in use. ENERGY: 4339200 750.8371 2001.3366 1990.2498 121.8216 -206301.8277 17811.5918 0.0000 0.0000 34199.5858 -149426.4049 298.6735 -183625.9907 -149324.3640 298.8850 -100.0868 -64.5879 557252.0216 2.9468 2.9851 PRESSURE: 4339400 -34.6799 -32.0653 10.4922 -32.0661 -91.3355 87.3257 10.4908 87.3264 -52.5225 GPRESSURE: 4339400 -16.3571 -10.3053 -29.1893 -121.213 -23.5341 114.147 -25.5165 28.8406 -54.927 PRESSAVG: 4339400 25.0087 -46.7194 -1.5224 -46.7193 -24.5907 22.1994 -1.52238 22.1996 18.9421 GPRESSAVG: 4339400 24.3549 -47.6449 -0.605335 -47.2745 -22.4417 20.4285 -0.227711 20.6665 17.6014 TIMING: 4339400 CPU: 12562.8, 0.00287016/step Wall: 12562.8, 0.00287016/step, 0.526675 hours remaining, 212.031250 MB of memory in use. ENERGY: 4339400 705.0502 2108.6176 1941.3893 120.3658 -206146.6051 17640.8647 0.0000 0.0000 34137.8256 -149492.4920 298.1341 -183630.3176 -149392.0996 298.5521 -59.5127 -31.6061 558544.3224 6.4534 6.5049 PRESSURE: 4339600 113.353 -29.6326 139.828 -29.6324 138.228 -41.0495 139.828 -41.049 -139.051 GPRESSURE: 4339600 117.756 -32.009 121.649 33.0491 162.967 -163.249 191.139 -28.7333 -69.5619 PRESSAVG: 4339600 26.3618 33.73 6.59217 33.73 27.2011 54.424 6.59214 54.424 -22.5474 GPRESSAVG: 4339600 26.2266 34.9892 5.58429 34.0857 25.5443 55.0248 7.42688 53.304 -20.5912 TIMING: 4339600 CPU: 12563.4, 0.00288409/step Wall: 12563.4, 0.00288409/step, 0.529071 hours remaining, 212.031250 MB of memory in use. ENERGY: 4339600 748.0094 2106.0080 1951.4425 105.2010 -206344.2281 17823.2853 0.0000 0.0000 34220.6552 -149389.6268 298.8575 -183610.2820 -149292.2854 298.3886 37.5099 70.3872 556474.2136 10.3385 10.3932 PRESSURE: 4339800 -210.674 -24.3285 -164.322 -24.3293 59.8893 -69.8006 -164.323 -69.8014 158.122 GPRESSURE: 4339800 -153.802 -96.9436 -184.537 46.4639 101.956 -49.0683 -93.1762 -31.2291 150.874 PRESSAVG: 4339800 -1.60967 -29.9787 42.5632 -29.9788 18.0374 -12.8676 42.5633 -12.8675 -22.7296 GPRESSAVG: 4339800 -0.782055 -28.6621 42.8813 -32.1326 18.2732 -13.3755 42.7604 -11.5692 -23.5285 TIMING: 4339800 CPU: 12564, 0.00289238/step Wall: 12564, 0.00289238/step, 0.530431 hours remaining, 212.031250 MB of memory in use. ENERGY: 4339800 737.8360 2048.5541 1906.0901 128.7300 -206573.5538 18024.6111 0.0000 0.0000 34246.4065 -149481.3261 299.0824 -183727.7326 -149390.0525 298.0856 2.4459 33.0095 558195.8875 -2.1006 -2.0124 PRESSURE: 4340000 128.241 -32.7718 164.791 -32.772 -36.2789 -93.2975 164.791 -93.2977 219.945 GPRESSURE: 4340000 150.628 -71.3104 184.727 -12.8351 69.2524 -33.9869 135.533 -11.5591 194.665 PRESSAVG: 4340000 -21.5446 12.731 41.3227 12.7311 -40.281 -22.5731 41.3226 -22.5732 -5.65794 GPRESSAVG: 4340000 -21.7333 10.6433 42.5263 14.5715 -40.9149 -22.3901 39.6791 -22.419 -5.00268 TIMING: 4340000 CPU: 12564.6, 0.00288817/step Wall: 12564.6, 0.00288817/step, 0.529498 hours remaining, 212.031250 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: 4340000 748.8614 2103.9863 1928.2255 113.5198 -206539.5740 18017.9157 0.0000 0.0000 34216.1438 -149410.9214 298.8181 -183627.0653 -149313.8372 298.3909 103.9689 138.1818 555689.2382 -22.4945 -22.5503 PRESSURE: 4340200 79.0021 51.1113 29.4269 51.1116 332.936 -76.3684 29.4265 -76.3672 -17.9031 GPRESSURE: 4340200 82.3208 95.4468 93.4476 -25.7686 365.422 -62.8285 -14.5871 -121.094 51.0608 PRESSAVG: 4340200 12.8926 -21.6539 68.4958 -21.6539 -1.54514 -47.5972 68.4958 -47.597 -13.5787 GPRESSAVG: 4340200 12.5706 -21.2263 68.0472 -22.0774 -1.61554 -48.1053 69.3875 -47.1428 -13.6274 TIMING: 4340200 CPU: 12565.1, 0.00286642/step Wall: 12565.1, 0.00286642/step, 0.525351 hours remaining, 212.031250 MB of memory in use. ENERGY: 4340200 785.4297 2110.6870 1964.7218 125.6865 -206945.4609 18173.8828 0.0000 0.0000 34387.7106 -149397.3425 300.3164 -183785.0531 -149309.4978 299.6039 131.3450 166.2678 556020.2502 -0.7437 -0.8908 LDB: ============= START OF LOAD BALANCING ============== 12568.5 LDB: ============== END OF LOAD BALANCING =============== 12568.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12568.5 LDB: ============= START OF LOAD BALANCING ============== 12568.8 LDB: Largest compute 4773 load 0.024742 is 21.0% of average load 0.117957 LDB: Average compute 0.001723 is 1.5% of average load 0.117957 LDB: TIME 12568.8 LOAD: AVG 0.117957 MAX 0.179963 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.406 MB LDB: TIME 12568.8 LOAD: AVG 0.117957 MAX 0.179963 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.605 MB LDB: TIME 12568.8 LOAD: AVG 0.117957 MAX 0.179963 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.605 MB LDB: ============== END OF LOAD BALANCING =============== 12568.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12568.8 PRESSURE: 4340400 63.3197 114.36 -43.2901 114.36 30.1526 142.557 -43.2901 142.557 -310.926 GPRESSURE: 4340400 57.7076 61.8231 88.195 114.822 84.5098 92.6396 -38.6211 147.533 -272.765 PRESSAVG: 4340400 -39.2153 44.0573 -9.49692 44.0572 60.5829 -29.7897 -9.49702 -29.7898 -38.899 GPRESSAVG: 4340400 -39.2654 43.4272 -8.47377 44.4224 60.3498 -27.1979 -9.49352 -31.1974 -38.4014 TIMING: 4340400 CPU: 12565.7, 0.00294375/step Wall: 12565.7, 0.00294375/step, 0.53936 hours remaining, 212.203125 MB of memory in use. ENERGY: 4340400 761.3564 2056.3021 1955.3518 120.8938 -206173.4941 17662.2075 0.0000 0.0000 34099.9248 -149517.4576 297.8031 -183617.3825 -149421.3951 298.3715 -72.4844 -43.5157 555698.5301 -5.8438 -5.7723 PRESSURE: 4340600 -228.928 101.013 1.56171 101.015 -41.7194 -41.3593 1.56077 -41.3574 -373.355 GPRESSURE: 4340600 -204.831 23.672 -10.402 102.783 21.7392 -79.6396 -12.6053 -34.4385 -363.183 PRESSAVG: 4340600 25.2216 -56.7653 -0.474987 -56.7653 67.1635 -28.883 -0.475131 -28.883 -36.5941 GPRESSAVG: 4340600 25.5621 -55.7874 -0.550652 -58.302 67.6592 -30.011 -0.270633 -29.3925 -37.4862 TIMING: 4340600 CPU: 12566.3, 0.00287234/step Wall: 12566.3, 0.00287234/step, 0.526117 hours remaining, 212.406250 MB of memory in use. ENERGY: 4340600 785.3186 2095.1862 1963.2517 129.3664 -206275.8038 17698.7614 0.0000 0.0000 34123.1791 -149480.7405 298.0062 -183603.9196 -149392.0429 298.5915 -214.6673 -182.0914 556503.0205 18.5970 18.5784 PRESSURE: 4340800 -117.508 191.164 -25.8743 191.164 81.8211 -56.0556 -25.8742 -56.0556 -29.0225 GPRESSURE: 4340800 -78.0297 158.856 -71.988 209.183 95.9701 -99.6049 -44.425 33.5039 23.0889 PRESSAVG: 4340800 -0.887603 5.77456 -27.8626 5.77465 -29.0573 -0.985653 -27.8627 -0.985664 40.1074 GPRESSAVG: 4340800 -0.69706 4.67721 -30.1787 8.72004 -29.6214 -3.04222 -28.122 1.80318 40.473 TIMING: 4340800 CPU: 12566.9, 0.00287981/step Wall: 12566.9, 0.00287981/step, 0.527326 hours remaining, 212.406250 MB of memory in use. ENERGY: 4340800 765.2065 2151.8876 1968.7164 122.1564 -206453.1634 17880.8655 0.0000 0.0000 34293.5881 -149270.7430 299.4944 -183564.3311 -149175.4489 299.6527 -21.5698 13.6764 556110.9917 3.3875 3.3849 PRESSURE: 4341000 -184.231 24.5816 31.477 24.5817 -14.4472 -67.2949 31.4781 -67.2951 106.209 GPRESSURE: 4341000 -162.088 -25.142 88.279 46.5406 53.3912 -59.8971 -38.8744 -7.54082 124.331 PRESSAVG: 4341000 -9.2582 49.3379 -22.1279 49.3378 15.4315 8.68707 -22.1279 8.68706 27.1588 GPRESSAVG: 4341000 -9.4524 47.2856 -20.842 50.0442 16.328 10.5604 -20.652 6.93425 26.605 TIMING: 4341000 CPU: 12567.5, 0.0028833/step Wall: 12567.5, 0.0028833/step, 0.527804 hours remaining, 212.406250 MB of memory in use. ENERGY: 4341000 763.4125 2147.3398 1952.2882 111.3242 -206485.5738 17909.3473 0.0000 0.0000 34361.8788 -149239.9830 300.0908 -183601.8619 -149144.3942 299.5438 -30.8231 5.2114 556574.0407 11.1107 11.1602 PRESSURE: 4341200 -184.845 -244.674 -87.5293 -244.674 2.31696 109.375 -87.5279 109.376 -150.917 GPRESSURE: 4341200 -134.897 -210.242 -125.119 -194.302 -10.2235 209.913 -98.3725 78.4124 -86.9779 PRESSAVG: 4341200 -13.3301 -16.4551 -10.3695 -16.4551 -22.0923 14.5245 -10.3695 14.5245 68.8819 GPRESSAVG: 4341200 -13.7787 -15.7149 -10.5574 -16.8533 -22.4265 13.6377 -11.5775 15.7208 69.2562 TIMING: 4341200 CPU: 12568, 0.00288241/step Wall: 12568, 0.00288241/step, 0.527481 hours remaining, 212.406250 MB of memory in use. ENERGY: 4341200 768.7015 2085.1888 1966.1188 121.7690 -206185.7510 17781.1069 0.0000 0.0000 34357.3780 -149105.4880 300.0515 -183462.8660 -149011.7005 300.1769 -111.1484 -77.3661 558330.2699 11.1532 11.0170 PRESSURE: 4341400 224.069 -93.7435 -2.38846 -93.7438 40.6789 91.7189 -2.38818 91.7197 110.345 GPRESSURE: 4341400 248.605 -68.4637 -28.0143 -105.36 70.1831 1.80077 -55.6771 177.434 148.439 PRESSAVG: 4341400 -2.10611 -52.2891 -17.1912 -52.2891 -33.6654 -19.1279 -17.1911 -19.1279 56.1592 GPRESSAVG: 4341400 -2.22959 -52.1388 -17.9364 -52.7471 -34.1714 -20.6021 -18.4286 -19.8389 56.7474 TIMING: 4341400 CPU: 12568.6, 0.00288199/step Wall: 12568.6, 0.00288199/step, 0.527243 hours remaining, 212.406250 MB of memory in use. ENERGY: 4341400 780.5898 2118.4314 1941.5090 125.3287 -206551.0267 18079.9942 0.0000 0.0000 34420.4362 -149084.7374 300.6022 -183505.1736 -148987.8883 300.2521 125.0311 155.7426 556385.7554 6.7959 6.7821 PRESSURE: 4341600 152.842 -4.95628 -41.9168 -4.95817 123.591 -68.4072 -41.9174 -68.4073 268.016 GPRESSURE: 4341600 147.199 -25.7938 -30.3651 -29.4721 183.056 -57.7046 -28.7435 -148.182 330.813 PRESSAVG: 4341600 4.70259 -51.94 -10.3449 -51.94 -15.112 66.3001 -10.3448 66.3 30.6635 GPRESSAVG: 4341600 3.80214 -51.5167 -10.4308 -52.8125 -14.8762 67.1595 -8.23847 66.759 30.8474 TIMING: 4341600 CPU: 12569.2, 0.0029037/step Wall: 12569.2, 0.0029037/step, 0.531055 hours remaining, 212.406250 MB of memory in use. ENERGY: 4341600 761.4266 2149.3415 1955.9509 109.5600 -206404.6936 18102.6246 0.0000 0.0000 34330.8756 -148994.9145 299.8201 -183325.7900 -148896.5834 299.2946 181.4832 220.3559 557770.6693 6.7514 6.5911 PRESSURE: 4341800 -43.6049 60.257 -94.6509 60.2566 114.47 109.854 -94.6505 109.854 127.398 GPRESSURE: 4341800 13.1696 56.5437 -80.8742 57.7889 149.053 30.0057 -62.7536 106.783 140.135 PRESSAVG: 4341800 3.92921 27.5655 2.91932 27.5655 -22.2987 -2.34264 2.91932 -2.34263 15.4396 GPRESSAVG: 4341800 5.46765 28.7481 2.72817 27.3755 -22.7816 -2.03645 2.96206 -1.44552 14.4202 TIMING: 4341800 CPU: 12569.8, 0.00290364/step Wall: 12569.8, 0.00290364/step, 0.530881 hours remaining, 212.406250 MB of memory in use. ENERGY: 4341800 744.7893 2135.0331 1936.0595 110.5485 -206484.9504 18044.0958 0.0000 0.0000 34400.8881 -149113.5362 300.4315 -183514.4242 -149018.4747 299.3287 66.0878 100.7858 558964.6389 -0.9766 -0.9646 PRESSURE: 4342000 78.711 -129.577 27.4169 -129.577 183.311 126.167 27.416 126.167 -12.4955 GPRESSURE: 4342000 126.829 -103.064 76.9649 -238.814 133.419 134.488 -14.7065 100.366 90.2978 PRESSAVG: 4342000 -2.86921 28.572 36.1117 28.5721 1.39513 53.8438 36.1117 53.8438 -18.4685 GPRESSAVG: 4342000 -3.27707 28.5848 37.0135 28.2349 0.862637 54.0551 35.726 54.1037 -17.4485 TIMING: 4342000 CPU: 12570.4, 0.00290113/step Wall: 12570.4, 0.00290113/step, 0.530262 hours remaining, 212.406250 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: 4342000 776.0044 2125.6284 1927.5879 109.9119 -206275.2813 17930.1796 0.0000 0.0000 34428.9560 -148977.0129 300.6766 -183405.9690 -148882.0779 299.5593 83.1756 116.8484 557411.7439 -6.6475 -6.6210 PRESSURE: 4342200 -136.684 -83.8786 -60.9482 -83.88 -156.17 113.249 -60.9482 113.248 -347.603 GPRESSURE: 4342200 -59.2869 -23.2501 -44.8837 -59.9689 -168.264 132.818 -130.844 84.4258 -314.21 PRESSAVG: 4342200 64.8719 -9.26586 -1.97914 -9.26588 3.0797 36.645 -1.97907 36.645 -84.0236 GPRESSAVG: 4342200 64.637 -10.2909 -0.368375 -9.13217 5.15103 36.0003 -3.44572 37.7015 -85.9892 TIMING: 4342200 CPU: 12570.9, 0.00288827/step Wall: 12570.9, 0.00288827/step, 0.52775 hours remaining, 212.406250 MB of memory in use. ENERGY: 4342200 778.2894 2062.9173 1951.1473 123.0927 -205863.2792 17529.1401 0.0000 0.0000 34494.5875 -148924.1049 301.2498 -183418.6924 -148829.0419 300.7004 -213.4856 -180.5869 558739.4500 -5.3573 -5.4004 PRESSURE: 4342400 98.6676 -61.6798 -22.2618 -61.6806 7.89504 281.147 -22.2623 281.146 -87.6057 GPRESSURE: 4342400 104.731 -57.4003 -59.6968 -76.8499 71.2986 326.983 31.9159 241.019 -64.7315 PRESSAVG: 4342400 -8.12943 4.32177 12.0062 4.32174 -7.82685 7.85501 12.0062 7.85494 -17.2151 GPRESSAVG: 4342400 -8.76938 5.31271 9.27812 3.91028 -8.01691 7.1741 15.2956 8.48677 -16.0433 TIMING: 4342400 CPU: 12571.5, 0.00288407/step Wall: 12571.5, 0.00288407/step, 0.526824 hours remaining, 212.406250 MB of memory in use. ENERGY: 4342400 722.5143 2160.3269 1952.5704 112.8253 -206045.9212 17729.0093 0.0000 0.0000 34334.3348 -149034.3401 299.8503 -183368.6750 -148944.8683 300.0527 6.3190 37.0993 556260.9173 -11.0571 -10.9432 PRESSURE: 4342600 253.084 61.0821 -76.273 61.0812 -117.334 -45.5841 -76.2732 -45.5849 -219.881 GPRESSURE: 4342600 278.674 63.3594 -98.3699 17.7619 -51.0988 -14.3133 -45.9513 -78.5529 -207.92 PRESSAVG: 4342600 18.4953 -44.2631 -43.2656 -44.2631 39.0579 8.00984 -43.2656 8.00987 -71.025 GPRESSAVG: 4342600 20.1803 -46.5346 -41.9329 -44.6148 37.7233 9.98132 -46.0486 5.25017 -71.2378 TIMING: 4342600 CPU: 12572.1, 0.00288536/step Wall: 12572.1, 0.00288536/step, 0.526898 hours remaining, 212.406250 MB of memory in use. ENERGY: 4342600 740.3950 2134.6939 1946.2965 117.1489 -205996.5138 17908.7246 0.0000 0.0000 34203.3924 -148945.8626 298.7067 -183149.2550 -148846.3839 299.9291 -28.0435 6.5517 558894.2000 -4.4906 -4.4447 PRESSURE: 4342800 -115.786 -213.845 84.9993 -213.844 -66.3856 25.1478 84.9989 25.1473 135.704 GPRESSURE: 4342800 -75.3609 -176.799 85.4847 -195.467 -42.2095 80.3839 70.691 63.5682 160.491 PRESSAVG: 4342800 30.636 -32.4574 -36.2298 -32.4573 -7.75586 13.6959 -36.2297 13.6959 -8.17434 GPRESSAVG: 4342800 29.8043 -30.5799 -38.3121 -31.1225 -7.59068 13.5267 -35.4401 14.4773 -7.29525 TIMING: 4342800 CPU: 12572.7, 0.00289388/step Wall: 12572.7, 0.00289388/step, 0.528294 hours remaining, 212.406250 MB of memory in use. ENERGY: 4342800 764.8124 2094.0383 1951.3007 108.4434 -205997.1177 17640.5378 0.0000 0.0000 34271.1937 -149166.7914 299.2989 -183437.9851 -149067.3356 299.9013 -15.4892 14.3068 557331.2824 4.9019 4.9728 PRESSURE: 4343000 -125.477 -51.0734 -70.9681 -51.0722 -68.9512 -112.629 -70.969 -112.628 -112.283 GPRESSURE: 4343000 -72.2102 27.5958 -47.1936 -47.3959 -29.8001 -91.6746 -71.3337 10.6054 -120.964 PRESSAVG: 4343000 -61.6206 -5.36516 -5.78557 -5.36516 -6.08786 14.983 -5.78548 14.9831 10.9908 GPRESSAVG: 4343000 -62.2233 -5.01045 -3.95847 -5.30683 -4.6703 14.0506 -4.96463 16.6096 9.97549 TIMING: 4343000 CPU: 12573.2, 0.00290282/step Wall: 12573.2, 0.00290282/step, 0.529765 hours remaining, 212.406250 MB of memory in use. ENERGY: 4343000 725.2343 2136.3655 1934.1582 119.3833 -206182.1563 17549.0066 0.0000 0.0000 34245.3656 -149472.6427 299.0733 -183718.0084 -149378.8237 298.8624 -102.2372 -74.3247 557412.7860 -18.9059 -18.9727 PRESSURE: 4343200 20.1035 -79.7612 -20.2689 -79.76 126.85 6.36799 -20.2703 6.36824 315.951 GPRESSURE: 4343200 110.51 -57.731 -11.6419 -87.1067 141.809 21.1602 14.5726 52.5071 307.932 PRESSAVG: 4343200 24.2989 21.9218 6.14784 21.9218 -23.5047 -8.47759 6.14778 -8.47773 -16.2526 GPRESSAVG: 4343200 24.7675 22.4309 5.08844 20.913 -25.0048 -9.61657 5.63416 -11.361 -15.4314 TIMING: 4343200 CPU: 12573.8, 0.00291276/step Wall: 12573.8, 0.00291276/step, 0.531417 hours remaining, 212.406250 MB of memory in use. ENERGY: 4343200 731.6064 2143.6847 1942.0302 119.8205 -206675.5066 17963.6179 0.0000 0.0000 34193.0177 -149581.7292 298.6161 -183774.7469 -149487.5755 298.2774 154.3014 186.7503 556413.0520 -5.1528 -5.2229 PRESSURE: 4343400 -360.111 49.5829 25.4572 49.582 -233.308 18.9838 25.4566 18.985 -81.5695 GPRESSURE: 4343400 -356.253 -47.1662 84.8094 41.7105 -160.876 93.8637 -1.09964 -29.7328 -66.7874 PRESSAVG: 4343400 29.455 41.9891 -28.3152 41.989 31.2292 -19.6926 -28.3152 -19.6926 -54.3259 GPRESSAVG: 4343400 29.7791 42.7281 -26.7869 41.7968 32.3193 -18.6406 -28.0815 -16.6061 -56.0028 TIMING: 4343400 CPU: 12574.4, 0.00289422/step Wall: 12574.4, 0.00289422/step, 0.527874 hours remaining, 212.406250 MB of memory in use. ENERGY: 4343400 712.1987 2083.8940 1937.2638 110.3035 -206051.9080 17554.8399 0.0000 0.0000 34238.0601 -149415.3480 299.0095 -183653.4081 -149322.1552 298.7602 -224.9964 -194.6389 559406.0950 2.1194 2.0319 PRESSURE: 4343600 -332.001 24.0401 93.0407 24.0394 89.7924 -30.59 93.0399 -30.5896 -161.873 GPRESSURE: 4343600 -340.598 5.37047 80.588 35.1591 148.36 -34.1958 148.715 -23.4803 -97.1112 PRESSAVG: 4343600 -54.1035 45.0003 11.6754 45.0003 -18.7771 22.1951 11.6755 22.1951 10.8161 GPRESSAVG: 4343600 -55.3411 43.4109 10.4465 46.8958 -19.599 21.7661 10.4953 20.4363 12.5785 TIMING: 4343600 CPU: 12575, 0.00289091/step Wall: 12575, 0.00289091/step, 0.52711 hours remaining, 212.406250 MB of memory in use. ENERGY: 4343600 700.1232 2094.8894 1939.9564 113.5858 -206042.0538 17482.5474 0.0000 0.0000 34232.8230 -149478.1287 298.9638 -183710.9517 -149388.7210 298.4797 -134.6939 -96.4497 556683.6728 -20.6882 -20.7872 PRESSURE: 4343800 -110.27 -110.777 -34.0201 -110.777 -186.877 -206.375 -34.0202 -206.375 221.817 GPRESSURE: 4343800 -82.9746 -123.569 3.15534 -94.4019 -111.209 -234.045 -23.7348 -93.0372 213.21 PRESSAVG: 4343800 -11.6549 -22.2572 69.5534 -22.2572 39.9291 11.4303 69.5535 11.4304 20.8303 GPRESSAVG: 4343800 -10.971 -22.3804 70.1934 -22.0635 40.0637 12.9195 70.8728 10.4803 20.4285 TIMING: 4343800 CPU: 12575.6, 0.00288787/step Wall: 12575.6, 0.00288787/step, 0.526394 hours remaining, 212.406250 MB of memory in use. ENERGY: 4343800 736.0984 2057.2622 1935.7515 118.2657 -206107.0350 17634.1245 0.0000 0.0000 34168.5139 -149457.0188 298.4021 -183625.5327 -149353.6120 299.1234 -25.1100 6.3419 557379.7370 16.3681 16.5071 PRESSURE: 4344000 -141.035 1.92797 -191.706 1.92715 18.0926 -231.328 -191.706 -231.328 -1.50692 GPRESSURE: 4344000 -26.4462 -57.1103 -218.047 3.39542 -40.7492 -192.102 -199.556 -209.597 46.9857 PRESSAVG: 4344000 45.9789 12.3917 22.3269 12.3917 -27.0149 -20.0531 22.3269 -20.053 -9.16032 GPRESSAVG: 4344000 47.3979 14.7226 22.6315 10.1399 -26.3499 -18.8502 23.19 -18.1729 -11.2332 TIMING: 4344000 CPU: 12576.1, 0.00287433/step Wall: 12576.1, 0.00287433/step, 0.523767 hours remaining, 212.406250 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: 4344000 712.1790 2062.3213 1931.1446 125.0663 -206126.4602 17778.9527 0.0000 0.0000 34012.2696 -149504.5267 297.0376 -183516.7963 -149404.9570 299.2621 -41.4830 -6.7366 556971.2131 3.2679 3.2716 PRESSURE: 4344200 -109.167 -183.74 6.1514 -183.74 46.299 -42.4362 6.15263 -42.4362 -2.81896 GPRESSURE: 4344200 -89.0277 -189.949 18.3779 -145.935 91.9477 -81.7748 -2.59557 -56.2854 24.8706 PRESSAVG: 4344200 -47.3552 -27.8771 18.6367 -27.8771 3.23739 -55.3009 18.6367 -55.301 49.6019 GPRESSAVG: 4344200 -49.9636 -31.3516 20.0002 -26.2452 3.81774 -55.6046 16.7212 -57.1951 51.8826 TIMING: 4344200 CPU: 12576.7, 0.00287696/step Wall: 12576.7, 0.00287696/step, 0.524085 hours remaining, 212.406250 MB of memory in use. ENERGY: 4344200 760.4823 2111.5975 1958.0627 115.4223 -206364.2863 17860.8990 0.0000 0.0000 34210.1358 -149347.6868 298.7656 -183557.8226 -149260.1860 297.9672 -21.8957 9.2635 557271.3961 1.8280 1.9123 LDB: ============= START OF LOAD BALANCING ============== 12580.1 LDB: ============== END OF LOAD BALANCING =============== 12580.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12580.1 LDB: ============= START OF LOAD BALANCING ============== 12580.4 LDB: Largest compute 4773 load 0.025030 is 21.2% of average load 0.117982 LDB: Average compute 0.001731 is 1.5% of average load 0.117982 LDB: TIME 12580.4 LOAD: AVG 0.117982 MAX 0.180865 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.414 MB LDB: TIME 12580.4 LOAD: AVG 0.117982 MAX 0.180865 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.414 MB LDB: TIME 12580.4 LOAD: AVG 0.117982 MAX 0.180865 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12580.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12580.4 PRESSURE: 4344400 12.8948 2.17094 105.239 2.16997 -72.854 -193.22 105.239 -193.222 -29.9083 GPRESSURE: 4344400 12.7152 -10.8203 24.6857 10.7383 2.35698 -200.441 182.773 -237.42 6.75842 PRESSAVG: 4344400 -100.319 -58.1926 -9.87897 -58.1927 71.4819 -58.3939 -9.87893 -58.3939 39.1348 GPRESSAVG: 4344400 -99.6109 -56.2432 -11.8704 -58.9933 70.7128 -60.3807 -7.59421 -56.1964 39.0611 TIMING: 4344400 CPU: 12577.3, 0.00294646/step Wall: 12577.3, 0.00294646/step, 0.536583 hours remaining, 211.375000 MB of memory in use. ENERGY: 4344400 754.1725 2069.6524 1926.5218 131.4878 -206298.2909 17881.4382 0.0000 0.0000 33993.2432 -149541.7750 296.8714 -183535.0182 -149448.5359 298.5123 -29.9558 7.2769 557721.5653 3.4324 3.3877 PRESSURE: 4344600 -140.844 -3.99194 -31.4109 -3.99142 -301.214 -3.99228 -31.4104 -3.99066 -334.173 GPRESSURE: 4344600 -128.7 43.6793 -99.9667 -2.63192 -254.638 -2.5189 14.5161 -50.3542 -286.016 PRESSAVG: 4344600 -30.6229 -11.8734 -5.90978 -11.8736 4.61882 -32.5603 -5.90978 -32.5603 52.7585 GPRESSAVG: 4344600 -30.6201 -12.7119 -6.55254 -10.6683 5.13664 -31.6133 -6.63098 -33.319 51.9412 TIMING: 4344600 CPU: 12577.9, 0.00289083/step Wall: 12577.9, 0.00289083/step, 0.526292 hours remaining, 211.578125 MB of memory in use. ENERGY: 4344600 758.0126 2016.4467 1926.7645 109.4405 -206126.5152 17602.5253 0.0000 0.0000 34206.7118 -149506.6138 298.7357 -183713.3255 -149406.0976 297.8586 -258.7436 -223.1179 558992.2251 8.9181 8.8193 PRESSURE: 4344800 -137.663 -141.795 -18.6883 -141.795 -40.7091 -125.152 -18.6893 -125.152 60.7243 GPRESSURE: 4344800 -99.5525 -174.593 43.0844 -121.146 -17.5559 -111.82 -26.6558 -124.996 98.9631 PRESSAVG: 4344800 32.0238 -48.5262 28.4977 -48.5262 20.2095 6.46165 28.4976 6.46155 -23.268 GPRESSAVG: 4344800 32.2273 -48.4129 27.395 -49.4362 19.3995 6.83729 29.7524 6.19167 -22.2058 TIMING: 4344800 CPU: 12578.5, 0.00287234/step Wall: 12578.5, 0.00287234/step, 0.522767 hours remaining, 211.578125 MB of memory in use. ENERGY: 4344800 768.3782 2066.2573 1935.8603 108.5763 -206354.4521 17746.9184 0.0000 0.0000 34291.8502 -149436.6114 299.4793 -183728.4616 -149337.8870 298.2596 -39.2159 -6.0485 558356.7462 9.6551 9.8070 PRESSURE: 4345000 -82.5216 53.4574 92.1196 53.4561 46.335 49.0044 92.1189 49.0031 -153.535 GPRESSURE: 4345000 -64.8042 107.88 169.652 143.171 98.3714 27.3536 89.8597 76.1437 -141.256 PRESSAVG: 4345000 25.9561 -23.0921 13.0589 -23.0921 -2.94308 -18.3274 13.059 -18.3274 2.9666 GPRESSAVG: 4345000 26.6977 -23.5985 15.4401 -24.0109 -2.60637 -19.2413 12.4269 -18.0787 2.22434 TIMING: 4345000 CPU: 12579, 0.00286535/step Wall: 12579, 0.00286535/step, 0.521334 hours remaining, 211.578125 MB of memory in use. ENERGY: 4345000 732.1606 2114.4004 1944.2823 115.3291 -206026.1582 17570.1059 0.0000 0.0000 34078.9159 -149470.9639 297.6196 -183549.8798 -149377.2482 298.5222 -63.2406 -35.8962 556542.9325 8.6599 8.7719 PRESSURE: 4345200 4.72378 5.38429 39.4602 5.38478 26.0695 -17.4427 39.462 -17.4442 -72.4609 GPRESSURE: 4345200 81.6882 73.3206 54.812 18.0126 42.3437 21.1584 26.9279 -26.3992 -53.1993 PRESSAVG: 4345200 58.4966 -54.8517 -0.681443 -54.8516 13.6786 -8.81916 -0.68135 -8.81909 -54.6314 GPRESSAVG: 4345200 57.8415 -56.0123 -3.4285 -51.4353 15.0161 -9.09703 -0.266041 -8.34357 -54.8416 TIMING: 4345200 CPU: 12579.6, 0.00288782/step Wall: 12579.6, 0.00288782/step, 0.525262 hours remaining, 211.578125 MB of memory in use. ENERGY: 4345200 745.3368 2085.8384 1952.4883 105.0265 -206538.2923 17983.8909 0.0000 0.0000 34182.2518 -149483.4596 298.5221 -183665.7114 -149387.1610 298.5231 -13.8892 23.6109 557288.1254 5.8479 6.0053 PRESSURE: 4345400 271.236 50.8795 111.071 50.8805 27.5725 14.6828 111.07 14.6846 280.893 GPRESSURE: 4345400 299.84 57.8796 148.345 -5.90129 52.44 90.1915 27.5104 -43.6725 328.314 PRESSAVG: 4345400 46.6673 44.8677 13.053 44.8678 26.4856 -2.38599 13.0531 -2.38599 -44.7546 GPRESSAVG: 4345400 47.0412 46.7362 13.6194 41.085 25.6698 -2.41819 10.1587 -2.11941 -44.1955 TIMING: 4345400 CPU: 12580.2, 0.00289233/step Wall: 12580.2, 0.00289233/step, 0.525923 hours remaining, 211.578125 MB of memory in use. ENERGY: 4345400 739.0053 2148.1472 1943.7423 112.0033 -206807.0914 18072.3451 0.0000 0.0000 34337.3653 -149454.4829 299.8768 -183791.8482 -149364.4255 299.1654 193.2336 226.8645 556712.0528 9.4661 9.5052 PRESSURE: 4345600 -102.112 134 75.0995 133.999 150.329 29.2341 75.0992 29.2348 63.5006 GPRESSURE: 4345600 -108.27 131.177 33.1755 124.517 169.074 11.7018 80.0358 -16.629 152.581 PRESSAVG: 4345600 -71.3907 46.914 19.6048 46.9139 30.6226 44.4625 19.6048 44.4625 56.5619 GPRESSAVG: 4345600 -71.7301 45.7083 20.5295 47.9692 30.8969 46.3412 19.372 43.8562 56.5322 TIMING: 4345600 CPU: 12580.8, 0.00290103/step Wall: 12580.8, 0.00290103/step, 0.527344 hours remaining, 211.578125 MB of memory in use. ENERGY: 4345600 741.2854 2169.3110 1938.6023 105.3894 -206764.9646 18073.8022 0.0000 0.0000 34332.9206 -149403.6538 299.8379 -183736.5743 -149312.8696 298.9454 37.2390 71.1285 559533.9022 5.2646 5.2330 PRESSURE: 4345800 -73.7938 111.134 9.07065 111.133 -145.758 88.4205 9.07103 88.4209 125.031 GPRESSURE: 4345800 -105.569 65.0405 -38.698 109.079 -147.605 20.196 40.5712 28.7647 250.145 PRESSAVG: 4345800 -3.63079 38.0244 25.9844 38.0244 1.87995 7.79794 25.9844 7.79793 13.7401 GPRESSAVG: 4345800 -4.29266 40.2876 25.311 36.2646 1.52849 7.2548 28.8874 7.0198 14.3931 TIMING: 4345800 CPU: 12581.3, 0.00288778/step Wall: 12581.3, 0.00288778/step, 0.524774 hours remaining, 211.578125 MB of memory in use. ENERGY: 4345800 759.0523 2112.8755 1933.9425 117.5085 -206518.0622 18036.2151 0.0000 0.0000 34174.2128 -149384.2556 298.4519 -183558.4683 -149291.4472 299.2578 -31.5069 -1.0099 559157.8195 3.9964 3.8763 PRESSURE: 4346000 -159.52 168.204 168.015 168.204 -24.8556 100.128 168.016 100.127 -157.53 GPRESSURE: 4346000 -112.845 139.793 195.536 116.561 28.3688 83.5601 204.203 95.1001 -166.766 PRESSAVG: 4346000 -23.8104 -23.2481 -19.6461 -23.248 22.6714 -46.5831 -19.6461 -46.5831 -34.8387 GPRESSAVG: 4346000 -22.1837 -24.6307 -18.5062 -21.8503 21.8038 -46.3787 -21.6368 -47.0173 -35.303 TIMING: 4346000 CPU: 12581.9, 0.00287546/step Wall: 12581.9, 0.00287546/step, 0.522375 hours remaining, 211.578125 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: 4346000 726.1328 2090.3752 1931.8388 113.6685 -206679.2763 17887.3310 0.0000 0.0000 34281.6911 -149648.2389 299.3905 -183929.9300 -149547.9681 298.2339 -113.9686 -83.7472 558876.0600 -11.9926 -11.8943 PRESSURE: 4346200 118.321 -22.9883 -44.0764 -22.9889 142.426 1.62486 -44.0756 1.62526 -215.781 GPRESSURE: 4346200 157.518 -1.14713 -82.8072 -17.2545 173.374 5.02071 -54.727 -43.2983 -202.614 PRESSAVG: 4346200 -10.1536 32.0597 2.8386 32.0597 55.2929 18.6264 2.83867 18.6264 -26.8009 GPRESSAVG: 4346200 -9.82815 31.2646 2.41813 32.4321 55.8325 19.0934 3.94665 18.7999 -27.6046 TIMING: 4346200 CPU: 12582.5, 0.00290217/step Wall: 12582.5, 0.00290217/step, 0.527067 hours remaining, 211.578125 MB of memory in use. ENERGY: 4346200 732.6281 2089.1787 1927.9495 109.5225 -206706.2259 18077.3669 0.0000 0.0000 34050.8371 -149718.7431 297.3744 -183769.5802 -149620.0241 298.0092 14.9886 42.7596 557710.6563 6.1128 6.1333 PRESSURE: 4346400 331.12 -103.091 20.007 -103.09 166.229 -16.0903 20.0078 -16.0907 175.459 GPRESSURE: 4346400 343.223 -74.5607 -15.1838 -163.784 182.576 31.6288 -13.8008 -46.4136 257.841 PRESSAVG: 4346400 -17.6078 29.8981 26.2947 29.8982 79.1885 -2.49495 26.2948 -2.49489 -78.4021 GPRESSAVG: 4346400 -18.1017 29.0773 27.3941 30.1581 78.3469 -3.72245 25.4659 -1.22005 -77.4269 TIMING: 4346400 CPU: 12583.1, 0.0028967/step Wall: 12583.1, 0.0028967/step, 0.525911 hours remaining, 211.578125 MB of memory in use. ENERGY: 4346400 716.5657 2123.7754 1966.1200 123.3926 -206701.7804 18121.5748 0.0000 0.0000 34219.7919 -149430.5599 298.8500 -183650.3518 -149337.4895 298.5164 224.2693 261.2131 556278.6016 -5.6071 -5.7272 PRESSURE: 4346600 -232.555 -79.4367 243.043 -79.4366 -142.202 -73.4938 243.043 -73.494 76.3628 GPRESSURE: 4346600 -175.121 8.99315 389.157 -191.079 -112.073 -83.2305 213.65 -59.4811 84.7692 PRESSAVG: 4346600 61.9202 53.7374 -27.982 53.7375 6.7473 -8.41024 -27.982 -8.4102 -47.2963 GPRESSAVG: 4346600 62.0669 54.8612 -28.858 52.9604 7.30714 -7.52466 -28.6258 -8.25004 -47.7348 TIMING: 4346600 CPU: 12583.7, 0.00291368/step Wall: 12583.7, 0.00291368/step, 0.528833 hours remaining, 211.578125 MB of memory in use. ENERGY: 4346600 740.9405 2087.6323 1935.8452 111.8275 -206282.8578 17667.4128 0.0000 0.0000 34305.0085 -149434.1911 299.5942 -183739.1996 -149333.3679 298.4295 -99.4646 -67.4747 556612.6368 7.1237 7.2131 PRESSURE: 4346800 -139.813 -110.358 25.1559 -110.359 -319.747 -225.281 25.1562 -225.283 37.6754 GPRESSURE: 4346800 -137.19 -78.4507 -21.7318 -55.0812 -256.465 -220.497 70.0306 -197.639 76.2297 PRESSAVG: 4346800 39.751 63.9426 3.13991 63.9427 -47.4701 -12.3577 3.13996 -12.3577 5.45746 GPRESSAVG: 4346800 39.8693 62.4111 3.27836 65.9029 -47.7577 -14.0037 5.79743 -13.0177 4.92654 TIMING: 4346800 CPU: 12584.2, 0.00288453/step Wall: 12584.2, 0.00288453/step, 0.523381 hours remaining, 211.578125 MB of memory in use. ENERGY: 4346800 758.9591 2116.1232 1966.8461 115.3240 -206504.8890 17802.8122 0.0000 0.0000 34324.0433 -149420.7810 299.7604 -183744.8243 -149323.2126 298.9103 -140.6280 -105.8085 556945.0976 -0.7539 -0.9873 PRESSURE: 4347000 44.7301 16.3923 -53.722 16.3934 -86.6044 -17.9089 -53.7216 -17.9088 -142.378 GPRESSURE: 4347000 109.435 20.5355 -127.227 -26.6566 -57.5164 -59.2866 -63.0997 -106.273 -129.051 PRESSAVG: 4347000 4.88419 31.8238 3.8647 31.8238 10.4803 -25.5268 3.86469 -25.5268 4.71347 GPRESSAVG: 4347000 4.20352 33.7024 1.85598 30.2478 10.0944 -23.5342 4.69229 -26.3716 5.92502 TIMING: 4347000 CPU: 12584.8, 0.00289666/step Wall: 12584.8, 0.00289666/step, 0.525422 hours remaining, 211.578125 MB of memory in use. ENERGY: 4347000 722.0817 2060.6393 1941.5745 118.6300 -206502.9604 17790.1204 0.0000 0.0000 34388.2567 -149481.6577 300.3212 -183869.9144 -149379.3379 299.7071 -61.4175 -25.7108 556140.7300 6.6927 6.7410 PRESSURE: 4347200 -32.6336 101.989 -162.662 101.99 -161.513 158.554 -162.664 158.555 153.016 GPRESSURE: 4347200 35.686 128.467 -187.221 121.017 -118.102 121.782 -193.033 176.234 130.795 PRESSAVG: 4347200 73.686 59.8032 -44.435 59.8032 -20.5093 -5.2017 -44.4349 -5.2016 -30.0765 GPRESSAVG: 4347200 73.5039 60.5113 -43.608 59.8847 -19.8439 -4.08143 -46.9541 -5.66788 -30.6555 TIMING: 4347200 CPU: 12585.4, 0.00290542/step Wall: 12585.4, 0.00290542/step, 0.52685 hours remaining, 211.578125 MB of memory in use. ENERGY: 4347200 731.9042 2108.5029 1943.2983 110.5969 -206729.7950 17977.4711 0.0000 0.0000 34373.7850 -149484.2367 300.1948 -183858.0216 -149386.2066 298.9785 -13.7100 16.1266 558025.4143 7.7001 7.6682 PRESSURE: 4347400 -156.298 10.7247 -156.19 10.723 -137.712 -34.6038 -156.19 -34.6031 -158.237 GPRESSURE: 4347400 -141.37 1.77939 -146.369 -8.39559 -27.854 -107.121 -100.717 -36.2721 -176.432 PRESSAVG: 4347400 -3.81454 47.699 -71.2674 47.699 3.50015 -22.0341 -71.2673 -22.0341 12.7631 GPRESSAVG: 4347400 -4.50711 46.6433 -70.4459 49.6322 3.30038 -23.4495 -69.6311 -21.9445 13.3711 TIMING: 4347400 CPU: 12586, 0.0028967/step Wall: 12586, 0.0028967/step, 0.525107 hours remaining, 211.578125 MB of memory in use. ENERGY: 4347400 740.6363 2069.5983 1927.1081 111.7577 -205937.2620 17676.3558 0.0000 0.0000 34111.4211 -149300.3847 297.9035 -183411.8058 -149196.9155 298.9190 -150.7490 -115.2188 558321.1754 4.1496 4.0548 PRESSURE: 4347600 -17.7378 -98.7378 109.734 -98.7379 -123.089 97.7341 109.734 97.7331 36.2319 GPRESSURE: 4347600 -17.7597 -67.8641 120.188 -155.531 -66.9759 110.592 67.1571 157.826 82.7232 PRESSAVG: 4347600 -30.5657 7.80755 12.8062 7.8076 -35.1854 -9.30515 12.8062 -9.30518 29.2194 GPRESSAVG: 4347600 -30.4791 7.20792 14.2204 8.15787 -35.2049 -10.5454 8.95336 -7.35688 29.0572 TIMING: 4347600 CPU: 12586.6, 0.0029025/step Wall: 12586.6, 0.0029025/step, 0.525997 hours remaining, 211.578125 MB of memory in use. ENERGY: 4347600 767.7209 2103.5487 1978.9226 111.9306 -206252.3468 17780.6609 0.0000 0.0000 34129.9614 -149379.6017 298.0654 -183509.5631 -149282.8700 298.2641 -34.8650 -0.6708 559052.0177 -12.1773 -12.2089 PRESSURE: 4347800 -1.45438 37.5345 166.829 37.5363 133.274 -63.6286 166.828 -63.6288 136.492 GPRESSURE: 4347800 -33.3022 -57.0081 157.376 63.1178 201.8 3.38105 124.847 -66.0398 186.856 PRESSAVG: 4347800 -15.9095 -18.8974 36.2488 -18.8974 -13.335 6.79927 36.2487 6.79937 49.4291 GPRESSAVG: 4347800 -14.9382 -20.6226 33.4953 -17.9732 -14.0311 6.63282 39.9317 6.15624 48.7285 TIMING: 4347800 CPU: 12587.1, 0.00290113/step Wall: 12587.1, 0.00290113/step, 0.525588 hours remaining, 211.578125 MB of memory in use. ENERGY: 4347800 759.9729 2100.2239 1949.7846 117.6422 -206454.4425 18121.6044 0.0000 0.0000 34258.2171 -149146.9972 299.1855 -183405.2144 -149050.2830 299.2663 89.4372 118.4513 558100.1416 6.7282 6.5864 PRESSURE: 4348000 -340.045 -62.1885 113.644 -62.1882 67.6151 -56.5476 113.644 -56.5489 -79.7127 GPRESSURE: 4348000 -287.694 -5.87212 57.5544 -153.18 71.9643 -78.1091 154.879 -60.6911 -39.4296 PRESSAVG: 4348000 -41.5812 19.1559 62.213 19.156 -6.35268 38.304 62.2129 38.3041 37.6578 GPRESSAVG: 4348000 -42.0197 22.3025 63.6956 17.3641 -6.57484 39.8137 60.8987 39.4443 38.2349 TIMING: 4348000 CPU: 12587.7, 0.00287527/step Wall: 12587.7, 0.00287527/step, 0.520744 hours remaining, 211.578125 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: 4348000 749.6369 2091.3768 1966.6240 105.8983 -205980.3132 17614.4042 0.0000 0.0000 34236.4533 -149215.9197 298.9955 -183452.3729 -149117.1157 298.8639 -117.3809 -85.0530 557783.9189 -3.4253 -3.4532 PRESSURE: 4348200 -86.8021 -329.201 -116.758 -329.201 -17.8596 -117.417 -116.758 -117.417 -185.929 GPRESSURE: 4348200 -22.4002 -350.07 -149.255 -312.271 31.3519 -170.082 -48.6943 -77.1404 -194.266 PRESSAVG: 4348200 -10.8997 13.2569 33.2657 13.2569 26.5666 20.5487 33.2657 20.5486 -49.0918 GPRESSAVG: 4348200 -11.2989 11.2308 32.8128 14.1149 27.3192 19.4579 35.3113 19.8383 -49.3013 TIMING: 4348200 CPU: 12588.3, 0.00286564/step Wall: 12588.3, 0.00286564/step, 0.51884 hours remaining, 211.578125 MB of memory in use. ENERGY: 4348200 737.8036 2080.3308 1961.7959 105.5919 -206378.4328 17753.7229 0.0000 0.0000 34337.4754 -149401.7123 299.8777 -183739.1877 -149301.3701 298.9128 -96.8637 -61.7713 557733.8083 -11.1416 -11.0937 LDB: ============= START OF LOAD BALANCING ============== 12591.7 LDB: ============== END OF LOAD BALANCING =============== 12591.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12591.7 LDB: ============= START OF LOAD BALANCING ============== 12592 LDB: Largest compute 4773 load 0.025058 is 21.2% of average load 0.118071 LDB: Average compute 0.001731 is 1.5% of average load 0.118071 LDB: TIME 12592 LOAD: AVG 0.118071 MAX 0.179863 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 12592 LOAD: AVG 0.118071 MAX 0.179863 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.902 MB LDB: TIME 12592 LOAD: AVG 0.118071 MAX 0.179863 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12592 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12592 PRESSURE: 4348400 247.045 11.0518 -100.251 11.0523 -52.9319 65.9147 -100.252 65.9139 5.61087 GPRESSURE: 4348400 271.63 -62.368 -101.084 23.3686 -61.9569 79.7923 -24.564 -23.7745 87.4035 PRESSAVG: 4348400 44.3726 -30.2783 14.5455 -30.2783 -18.2505 42.8025 14.5455 42.8025 -10.4983 GPRESSAVG: 4348400 45.394 -29.7113 12.8213 -29.5189 -18.2666 44.3395 14.317 40.4235 -10.9974 TIMING: 4348400 CPU: 12588.9, 0.00292004/step Wall: 12588.9, 0.00292004/step, 0.528527 hours remaining, 209.843750 MB of memory in use. ENERGY: 4348400 747.9379 2030.3802 1948.7116 108.3583 -206207.0321 17704.6389 0.0000 0.0000 34174.8682 -149492.1370 298.4576 -183667.0053 -149398.2377 298.8146 66.5745 99.0254 557404.0763 5.2079 5.3767 PRESSURE: 4348600 84.4938 -195.668 53.6011 -195.668 17.4451 27.1483 53.6008 27.1486 113.09 GPRESSURE: 4348600 136.077 -223.126 -52.4746 -171.292 60.698 -8.59669 102.039 113.117 107.722 PRESSAVG: 4348600 -34.6725 -51.5548 10.0226 -51.5549 32.4086 41.7258 10.0226 41.7258 -41.6584 GPRESSAVG: 4348600 -34.3494 -51.0061 11.5986 -52.5576 31.9394 39.2773 9.78781 45.2348 -41.7711 TIMING: 4348600 CPU: 12589.4, 0.00289956/step Wall: 12589.4, 0.00289956/step, 0.524659 hours remaining, 209.843750 MB of memory in use. ENERGY: 4348600 709.5964 2088.9989 1933.3419 109.5737 -206250.4654 17780.9886 0.0000 0.0000 34227.3044 -149400.6616 298.9156 -183627.9660 -149302.9714 298.4439 71.6762 101.4989 556128.8805 -14.6408 -14.7270 PRESSURE: 4348800 15.1254 -169.506 112.44 -169.506 -227.704 95.5356 112.44 95.535 -105.055 GPRESSURE: 4348800 -20.4069 -231.269 99.0593 -141.735 -165.132 69.6209 111.699 118.94 -44.5361 PRESSAVG: 4348800 39.3248 12.5814 -1.82957 12.5815 -0.124773 20.7879 -1.82959 20.7879 -9.39148 GPRESSAVG: 4348800 38.6612 12.0553 -3.64154 12.3719 1.16495 23.7274 -1.28613 18.7995 -10.1034 TIMING: 4348800 CPU: 12590, 0.00290013/step Wall: 12590, 0.00290013/step, 0.524602 hours remaining, 209.843750 MB of memory in use. ENERGY: 4348800 744.4742 2096.8689 1947.9825 98.5991 -206187.5645 17660.1175 0.0000 0.0000 34127.1599 -149512.3624 298.0410 -183639.5223 -149407.8323 298.1250 -105.8780 -76.6917 557721.8949 9.9362 9.9076 PRESSURE: 4349000 194.431 168.562 -126.016 168.561 243.771 43.3804 -126.018 43.3807 105.579 GPRESSURE: 4349000 220.493 177.148 -54.0386 77.1915 284.803 66.7599 -210.882 126.465 134.015 PRESSAVG: 4349000 18.4674 -53.9157 22.4911 -53.9157 -47.7333 57.3501 22.491 57.3502 41.6861 GPRESSAVG: 4349000 18.635 -52.9989 25.4025 -56.3074 -47.4051 54.8392 19.4347 58.3895 41.4354 TIMING: 4349000 CPU: 12590.6, 0.00291093/step Wall: 12590.6, 0.00291093/step, 0.526394 hours remaining, 209.843750 MB of memory in use. ENERGY: 4349000 702.3184 2024.4868 1939.3435 93.9688 -206639.2019 18123.3999 0.0000 0.0000 34190.8382 -149564.8464 298.5971 -183755.6846 -149470.2604 298.3280 181.2606 213.1037 555571.8042 4.1401 4.2218 PRESSURE: 4349200 169.883 59.7303 37.5518 59.7304 -189.361 53.3969 37.5515 53.3968 253.377 GPRESSURE: 4349200 109.359 81.1049 -3.25984 84.2045 -99.4488 117.343 48.8365 43.0717 308.568 PRESSAVG: 4349200 24.835 45.136 -8.22571 45.1361 -40.0053 14.8604 -8.22575 14.8605 -22.6797 GPRESSAVG: 4349200 24.346 45.2075 -9.86185 47.4722 -40.7257 17.8448 -6.13941 12.9194 -22.256 TIMING: 4349200 CPU: 12591.2, 0.00288043/step Wall: 12591.2, 0.00288043/step, 0.520717 hours remaining, 209.843750 MB of memory in use. ENERGY: 4349200 741.9501 2092.1815 1939.9933 104.7887 -206512.6421 17898.6214 0.0000 0.0000 34146.7720 -149588.3350 298.2123 -183735.1070 -149488.2583 298.4670 77.9664 106.1594 555574.3592 -12.6166 -12.8785 PRESSURE: 4349400 128.161 32.6709 -0.666853 32.6702 73.8151 41.313 -0.66614 41.3121 4.70569 GPRESSURE: 4349400 116.968 23.9436 -25.6461 -51.9176 150.914 118.96 -6.93717 -53.8831 42.2448 PRESSAVG: 4349400 24.7454 44.338 -22.2692 44.3379 19.4767 47.0854 -22.2692 47.0854 -22.6002 GPRESSAVG: 4349400 25.3884 43.034 -22.5696 43.5305 20.6757 44.7776 -22.3348 47.7753 -24.194 TIMING: 4349400 CPU: 12591.8, 0.00287249/step Wall: 12591.8, 0.00287249/step, 0.519123 hours remaining, 209.843750 MB of memory in use. ENERGY: 4349400 722.0150 2066.2981 1973.5123 119.5513 -206497.7985 17762.6686 0.0000 0.0000 34505.2855 -149348.4677 301.3432 -183853.7532 -149257.4061 299.1745 68.8940 103.3755 555892.1854 7.2073 7.2901 PRESSURE: 4349600 58.7825 43.2598 -70.7083 43.2604 61.5339 74.1592 -70.7101 74.1588 -20.6177 GPRESSURE: 4349600 78.1842 15.7602 -73.8093 72.0215 112.725 58.2897 -98.6812 62.4515 -1.5417 PRESSAVG: 4349600 -2.85278 -10.4979 1.55963 -10.4978 27.3692 7.56425 1.55957 7.56429 -7.9365 GPRESSAVG: 4349600 -3.21052 -10.2342 1.20388 -8.82298 25.193 9.16093 2.92327 6.9411 -6.11119 TIMING: 4349600 CPU: 12592.3, 0.00290932/step Wall: 12592.3, 0.00290932/step, 0.525617 hours remaining, 209.843750 MB of memory in use. ENERGY: 4349600 697.0680 2077.6269 1924.5811 109.1179 -206160.7207 17772.5001 0.0000 0.0000 34240.2512 -149339.5756 299.0286 -183579.8268 -149237.2391 299.6430 33.2329 63.1225 556904.3098 5.5266 5.2904 PRESSURE: 4349800 -35.3309 143.305 -33.864 143.305 -9.61289 26.9292 -33.8642 26.9286 -48.4055 GPRESSURE: 4349800 -67.2454 145.78 29.7554 203.748 75.2644 -11.384 -40.2112 -25.9803 -7.53476 PRESSAVG: 4349800 32.8081 49.5841 -6.50728 49.5841 1.55148 -0.773274 -6.50732 -0.773208 4.68705 GPRESSAVG: 4349800 32.3262 52.3375 -6.15615 46.5308 2.07762 -2.73705 -9.49489 1.59598 5.11806 TIMING: 4349800 CPU: 12592.9, 0.00289162/step Wall: 12592.9, 0.00289162/step, 0.522259 hours remaining, 209.843750 MB of memory in use. ENERGY: 4349800 731.3992 2076.7048 1915.1543 100.9586 -206124.6839 17798.4854 0.0000 0.0000 34247.6227 -149254.3589 299.0930 -183501.9817 -149157.2942 299.0358 -31.1165 0.1614 557710.0437 13.0155 13.1740 PRESSURE: 4350000 22.6772 26.2959 93.9905 26.2948 65.4465 209.329 93.9919 209.33 63.6431 GPRESSURE: 4350000 7.39107 -17.3398 69.5539 35.8428 122.776 223.594 22.862 101.194 132.412 PRESSAVG: 4350000 6.89353 2.83899 5.4426 2.83899 -2.8355 26.2402 5.44266 26.2401 22.5311 GPRESSAVG: 4350000 7.02256 -0.653534 5.13057 5.81676 -3.31937 26.2206 6.42023 24.0373 22.2495 TIMING: 4350000 CPU: 12593.5, 0.00289738/step Wall: 12593.5, 0.00289738/step, 0.523139 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4350000 726.9919 2091.0934 1930.2678 112.7227 -206231.3019 17828.5940 0.0000 0.0000 34224.5611 -149317.0710 298.8916 -183541.6321 -149210.8272 299.0061 50.5889 87.5265 557495.3218 8.8631 8.6509 PRESSURE: 4350200 166.446 -122.914 -34.3611 -122.912 99.5809 117.149 -34.3616 117.15 146.224 GPRESSURE: 4350200 220.068 -127.832 36.0306 -119.779 136.402 37.6096 -102.136 165.392 153.199 PRESSAVG: 4350200 80.133 -54.604 15.6604 -54.604 -56.905 3.89942 15.6605 3.89934 13.0995 GPRESSAVG: 4350200 80.4899 -52.9573 14.9476 -55.8301 -57.5431 2.75928 16.6569 3.77689 12.9292 TIMING: 4350200 CPU: 12594.1, 0.00289302/step Wall: 12594.1, 0.00289302/step, 0.52219 hours remaining, 209.843750 MB of memory in use. ENERGY: 4350200 751.9496 2105.2632 1936.6772 115.7736 -206684.7362 18204.7539 0.0000 0.0000 34314.7949 -149255.5238 299.6796 -183570.3186 -149164.4539 298.6453 137.4170 169.8896 558377.2268 12.1092 11.9586 PRESSURE: 4350400 22.0755 -14.4644 -67.6142 -14.465 -0.534206 -117.915 -67.6152 -117.917 353.154 GPRESSURE: 4350400 122.037 -56.9042 -106.698 38.2036 12.5862 -96.79 -5.03394 -116.776 329.135 PRESSAVG: 4350400 47.31 -37.1951 -13.4245 -37.1952 -57.2548 25.4119 -13.4246 25.4118 20.1641 GPRESSAVG: 4350400 47.799 -36.5564 -11.1876 -37.8556 -57.0335 25.9034 -14.3302 25.7471 19.0724 TIMING: 4350400 CPU: 12594.7, 0.00288904/step Wall: 12594.7, 0.00288904/step, 0.521312 hours remaining, 209.843750 MB of memory in use. ENERGY: 4350400 723.5102 2112.8391 1922.0177 117.4711 -206291.3551 17916.4755 0.0000 0.0000 34359.2494 -149139.7922 300.0679 -183499.0415 -149038.0739 299.8347 124.8985 154.5859 556512.2012 3.4064 3.2793 PRESSURE: 4350600 -116.984 -64.3264 66.2421 -64.3258 -58.2499 57.1204 66.2408 57.1207 -240.88 GPRESSURE: 4350600 -84.4331 -90.2023 0.188929 4.23115 -50.144 -8.42255 85.4484 39.9676 -188.344 PRESSAVG: 4350600 27.6687 8.1926 -49.5606 8.19259 -38.3881 23.1752 -49.5606 23.1752 8.00777 GPRESSAVG: 4350600 26.9482 7.35685 -52.9309 8.82899 -37.8511 23.8229 -48.2422 24.6156 8.10573 TIMING: 4350600 CPU: 12595.2, 0.00289603/step Wall: 12595.2, 0.00289603/step, 0.522411 hours remaining, 209.843750 MB of memory in use. ENERGY: 4350600 755.2880 2089.6587 1914.5522 120.2617 -206082.6975 17555.0749 0.0000 0.0000 34322.7348 -149325.1273 299.7490 -183647.8621 -149230.4156 300.3657 -138.7047 -107.6402 555271.7928 -0.9039 -0.9324 PRESSURE: 4350800 -98.8161 93.5181 12.713 93.5192 131.472 157.252 12.7138 157.252 -18.7583 GPRESSURE: 4350800 -97.3907 172.41 5.24634 77.3151 191.587 185.757 90.3734 82.6196 14.9522 PRESSAVG: 4350800 43.5602 -17.9333 -34.5656 -17.9333 -42.3505 49.1355 -34.5657 49.1355 -3.11718 GPRESSAVG: 4350800 43.4575 -15.8675 -31.6235 -20.7458 -43.3455 49.1586 -35.6879 48.6175 -1.91141 TIMING: 4350800 CPU: 12595.8, 0.00291898/step Wall: 12595.8, 0.00291898/step, 0.526389 hours remaining, 209.843750 MB of memory in use. ENERGY: 4350800 742.8393 2072.4370 1937.5412 130.6722 -205889.4420 17514.2558 0.0000 0.0000 34279.7370 -149211.9595 299.3735 -183491.6966 -149121.2075 299.7703 4.6325 36.3828 555258.2711 -0.6358 -0.5998 PRESSURE: 4351000 86.0574 -18.1424 83.9159 -18.1415 -151.416 29.8091 83.9162 29.8109 -133.27 GPRESSURE: 4351000 105.546 -52.6225 41.6849 36.1534 -155.906 100.609 94.0619 -101.03 -40.808 PRESSAVG: 4351000 33.3405 42.6087 1.18566 42.6087 17.0074 64.3196 1.18566 64.3196 -25.3159 GPRESSAVG: 4351000 33.849 39.9705 0.95285 44.7377 17.5234 65.2175 0.910254 62.3366 -26.4676 TIMING: 4351000 CPU: 12596.4, 0.00288777/step Wall: 12596.4, 0.00288777/step, 0.5206 hours remaining, 209.843750 MB of memory in use. ENERGY: 4351000 754.8992 2059.2576 1930.1083 108.8795 -206172.2432 17773.0128 0.0000 0.0000 34248.1820 -149297.9039 299.0979 -183546.0858 -149202.1669 299.3213 -66.2096 -30.3894 556968.2588 8.3440 8.3016 PRESSURE: 4351200 -243.482 50.69 -138.92 50.6898 -229.285 66.982 -138.918 66.9804 -175.783 GPRESSURE: 4351200 -190.062 90.2401 -170.506 29.1392 -241.549 35.6071 -73.2754 34.989 -127.029 PRESSAVG: 4351200 24.1043 8.57104 39.0493 8.57105 -44.0351 67.1654 39.0492 67.1654 33.6943 GPRESSAVG: 4351200 24.1927 7.77269 37.7346 10.0658 -43.5087 68.8691 38.4504 67.134 33.7261 TIMING: 4351200 CPU: 12597, 0.00287227/step Wall: 12597, 0.00287227/step, 0.517646 hours remaining, 209.843750 MB of memory in use. ENERGY: 4351200 721.7605 2055.3126 1894.7981 102.3888 -206001.4537 17556.3459 0.0000 0.0000 34225.0847 -149445.7629 298.8962 -183670.8477 -149347.8599 298.0031 -216.1835 -186.2132 557171.5663 4.5878 4.8034 PRESSURE: 4351400 15.4232 -158.623 206.272 -158.622 -42.393 -66.3834 206.273 -66.3865 -112.999 GPRESSURE: 4351400 60.1928 -175.473 203.61 -180.713 -13.288 -79.5426 307.48 31.2065 -85.8851 PRESSAVG: 4351400 14.1029 -10.1813 20.8602 -10.1813 -25.6471 -1.88978 20.8603 -1.88976 28.2245 GPRESSAVG: 4351400 14.0651 -9.923 21.3913 -12.4372 -25.9524 -3.48017 21.28 -0.500639 27.9936 TIMING: 4351400 CPU: 12597.6, 0.00288965/step Wall: 12597.6, 0.00288965/step, 0.520618 hours remaining, 209.843750 MB of memory in use. ENERGY: 4351400 803.6780 2084.2669 1929.1726 105.8904 -206459.3928 17901.3049 0.0000 0.0000 34083.5336 -149551.5465 297.6600 -183635.0801 -149459.5943 298.5693 -46.6561 -12.9934 556600.0976 5.5601 5.3688 PRESSURE: 4351600 269.35 -61.3445 -54.0243 -61.3453 95.7103 44.5949 -54.0237 44.5946 212.595 GPRESSURE: 4351600 274.59 -4.30008 -23.4113 -33.6818 151.932 -12.5885 -69.972 86.7926 243.102 PRESSAVG: 4351600 52.6598 -45.756 52.922 -45.756 -55.5596 22.258 52.922 22.2581 30.9171 GPRESSAVG: 4351600 52.8236 -45.3205 53.0811 -44.7253 -55.5537 20.865 54.1084 22.6579 30.7903 TIMING: 4351600 CPU: 12598.1, 0.0029053/step Wall: 12598.1, 0.0029053/step, 0.523277 hours remaining, 209.843750 MB of memory in use. ENERGY: 4351600 697.4479 2069.6575 1940.3485 114.3418 -206385.7086 18031.1107 0.0000 0.0000 33904.9663 -149627.8360 296.1005 -183532.8023 -149528.1985 298.1550 192.5516 223.2078 556036.2310 9.3391 9.3534 PRESSURE: 4351800 222.23 -13.7044 98.8112 -13.7048 -59.6975 2.40025 98.8128 2.39983 111.445 GPRESSURE: 4351800 275.027 18.6002 65.7794 -20.7509 13.5114 7.04268 115.824 0.424123 97.5655 PRESSAVG: 4351800 26.8591 13.2754 46.045 13.2754 -54.0272 32.7642 46.0451 32.7642 41.5256 GPRESSAVG: 4351800 26.7688 13.3223 46.6291 12.4182 -53.2711 32.7267 45.8388 32.1568 41.0488 TIMING: 4351800 CPU: 12598.7, 0.00287672/step Wall: 12598.7, 0.00287672/step, 0.51797 hours remaining, 209.843750 MB of memory in use. ENERGY: 4351800 720.4903 2029.0263 1952.2195 117.7836 -206556.7291 18008.9420 0.0000 0.0000 34315.0588 -149413.2087 299.6819 -183728.2675 -149321.4285 298.4559 91.3259 128.7012 555747.3449 4.7858 4.8488 PRESSURE: 4352000 70.6426 62.4025 -177.995 62.4022 44.0582 51.8598 -177.996 51.8604 -83.8302 GPRESSURE: 4352000 133.388 131.25 -164.59 9.1223 72.3193 -0.775228 -176.709 37.4364 -70.7468 PRESSAVG: 4352000 9.42083 28.2451 10.5961 28.2451 10.5291 -10.4283 10.596 -10.4283 -49.9765 GPRESSAVG: 4352000 8.84474 27.6558 10.9227 28.7302 9.20865 -10.4763 11.508 -10.2508 -48.311 TIMING: 4352000 CPU: 12599.3, 0.00288261/step Wall: 12599.3, 0.00288261/step, 0.51887 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4352000 754.0268 2040.8131 1920.3154 108.5660 -206250.0769 17696.8293 0.0000 0.0000 34132.7454 -149596.7809 298.0898 -183729.5262 -149500.4243 298.3063 10.2902 44.9870 555267.5593 -10.0089 -10.0859 PRESSURE: 4352200 97.6704 119.186 -23.3577 119.184 191.754 -79.5298 -23.3581 -79.529 -109.343 GPRESSURE: 4352200 146.896 119.582 -96.804 108.236 182.949 -35.5497 54.9121 -66.546 -52.4025 PRESSAVG: 4352200 3.17067 -14.1261 -22.4732 -14.1261 -3.34908 0.801762 -22.4731 0.801878 37.089 GPRESSAVG: 4352200 2.85129 -12.5071 -24.2103 -14.7906 -3.08303 -0.0169824 -22.0611 -0.574011 37.0573 TIMING: 4352200 CPU: 12599.9, 0.00287661/step Wall: 12599.9, 0.00287661/step, 0.51763 hours remaining, 209.843750 MB of memory in use. ENERGY: 4352200 730.8645 2066.9719 1945.2355 114.8031 -206112.9511 17681.3289 0.0000 0.0000 34095.9301 -149477.8169 297.7682 -183573.7470 -149384.6679 298.2212 60.0272 92.4809 555993.1109 12.3035 12.2752 LDB: ============= START OF LOAD BALANCING ============== 12603.2 LDB: ============== END OF LOAD BALANCING =============== 12603.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12603.2 LDB: ============= START OF LOAD BALANCING ============== 12603.5 LDB: Largest compute 4773 load 0.026139 is 22.1% of average load 0.118043 LDB: Average compute 0.001724 is 1.5% of average load 0.118043 LDB: TIME 12603.5 LOAD: AVG 0.118043 MAX 0.179168 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.355 MB LDB: TIME 12603.5 LOAD: AVG 0.118043 MAX 0.179168 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.355 MB LDB: TIME 12603.5 LOAD: AVG 0.118043 MAX 0.179168 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.355 MB LDB: ============== END OF LOAD BALANCING =============== 12603.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12603.5 PRESSURE: 4352400 -250.934 -210.771 -12.2554 -210.771 -46.1228 64.2325 -12.2546 64.2315 1.05351 GPRESSURE: 4352400 -229.234 -232.39 94.5514 -243.983 14.5952 126.039 -63.9203 83.3033 17.4605 PRESSAVG: 4352400 16.4265 -26.499 11.1455 -26.499 49.0947 11.8607 11.1456 11.8607 -73.8575 GPRESSAVG: 4352400 16.8595 -26.2828 13.1639 -24.1773 47.7552 12.2805 8.93235 12.376 -72.6411 TIMING: 4352400 CPU: 12600.4, 0.00294815/step Wall: 12600.4, 0.00294815/step, 0.53034 hours remaining, 210.867188 MB of memory in use. ENERGY: 4352400 741.2275 2057.7225 1949.8983 111.2107 -206128.8159 17622.3458 0.0000 0.0000 34442.7344 -149203.6767 300.7970 -183646.4112 -149109.1877 299.6404 -98.6678 -65.7262 556204.9895 -2.7788 -2.6755 PRESSURE: 4352600 -143.768 154.272 39.0846 154.272 279.995 -33.2737 39.0851 -33.274 207.977 GPRESSURE: 4352600 -83.0205 181.342 63.4254 126.101 293.428 -90.4138 10.1297 -32.643 238.641 PRESSAVG: 4352600 -93.018 11.2889 43.8799 11.289 67.7445 34.0306 43.88 34.0306 45.2456 GPRESSAVG: 4352600 -93.769 11.6309 44.2594 9.95948 69.478 33.4292 43.4481 34.8121 44.4334 TIMING: 4352600 CPU: 12601, 0.00290439/step Wall: 12601, 0.00290439/step, 0.522306 hours remaining, 210.867188 MB of memory in use. ENERGY: 4352600 753.9199 2071.7595 1955.9137 115.2275 -206246.1329 17953.0543 0.0000 0.0000 34133.5844 -149262.6735 298.0971 -183396.2580 -149168.1188 298.8089 114.7346 149.6827 556927.6490 6.6573 6.7141 PRESSURE: 4352800 -142.766 13.903 92.4831 13.9032 -60.6436 -33.774 92.4828 -33.7741 128.021 GPRESSURE: 4352800 -41.5699 75.9003 108.925 -107.473 -90.1463 -25.9144 33.1793 -57.8432 148.99 PRESSAVG: 4352800 7.00961 1.4255 10.8406 1.42553 -12.1818 2.70809 10.8407 2.70801 29.1066 GPRESSAVG: 4352800 7.17 0.901669 11.3109 1.30657 -13.4463 2.3341 11.7659 4.921 29.9815 TIMING: 4352800 CPU: 12601.6, 0.00291089/step Wall: 12601.6, 0.00291089/step, 0.523314 hours remaining, 210.867188 MB of memory in use. ENERGY: 4352800 756.6631 2078.1853 1923.1419 112.8131 -206409.9042 17889.5197 0.0000 0.0000 34427.1566 -149222.4243 300.6609 -183649.5810 -149124.4709 299.0802 -25.1298 5.7581 557882.3710 7.9782 7.9017 PRESSURE: 4353000 -160.394 43.2817 -90.5011 43.2823 -213.389 51.9556 -90.5007 51.9555 -342.539 GPRESSURE: 4353000 -142.633 132.742 -58.7318 71.9086 -139.305 19.0482 -13.057 78.1489 -339.111 PRESSAVG: 4353000 7.81505 0.10379 21.7437 0.103825 -13.373 11.8849 21.7437 11.8848 0.589025 GPRESSAVG: 4353000 9.57071 1.35612 21.4677 -1.8792 -13.7296 12.6562 23.6179 11.4915 -0.217177 TIMING: 4353000 CPU: 12602.2, 0.0028923/step Wall: 12602.2, 0.0028923/step, 0.51981 hours remaining, 210.867188 MB of memory in use. ENERGY: 4353000 761.1922 2083.4482 1927.9087 115.2003 -205403.5144 17391.9152 0.0000 0.0000 34140.4040 -148983.4459 298.1566 -183123.8499 -148883.4719 299.7557 -238.7739 -207.0164 559610.9429 -1.6563 -1.4587 PRESSURE: 4353200 -228.622 196.898 -57.7846 196.897 -94.5916 -58.0027 -57.7844 -58.0017 -232.17 GPRESSURE: 4353200 -186.813 191.073 -124.73 186.789 -76.8341 -73.0531 -4.11586 -70.8854 -185.887 PRESSAVG: 4353200 12.216 14.4097 13.0056 14.4098 25.1057 -70.4186 13.0056 -70.4186 -45.2584 GPRESSAVG: 4353200 9.17688 10.9289 10.1933 17.7561 27.4774 -71.9983 12.4271 -71.7195 -44.8673 TIMING: 4353200 CPU: 12602.8, 0.00289665/step Wall: 12602.8, 0.00289665/step, 0.520432 hours remaining, 210.867188 MB of memory in use. ENERGY: 4353200 749.3265 2079.7619 1947.2592 108.7084 -205480.3896 17406.4446 0.0000 0.0000 34309.4501 -148879.4389 299.6330 -183188.8890 -148785.3615 299.4126 -185.1280 -149.8448 558329.2085 -2.6456 -2.7377 PRESSURE: 4353400 154.878 123.092 10.8529 123.092 147.753 -69.2965 10.8519 -69.2975 69.3956 GPRESSURE: 4353400 182.767 162.403 -24.0987 82.4749 149.354 -120.881 59.3535 -47.3491 128.231 PRESSAVG: 4353400 48.4267 31.9485 35.9526 31.9485 -5.59841 -20.6777 35.9526 -20.6777 -9.0071 GPRESSAVG: 4353400 48.9125 33.175 39.5439 32.2149 -6.48981 -19.0346 35.7922 -22.4283 -8.79484 TIMING: 4353400 CPU: 12603.3, 0.00287576/step Wall: 12603.3, 0.00287576/step, 0.516518 hours remaining, 210.867188 MB of memory in use. ENERGY: 4353400 742.0334 2113.0827 1948.7390 108.7490 -205839.7716 17853.0841 0.0000 0.0000 34225.5284 -148848.5550 298.9001 -183074.0834 -148758.6836 300.4470 124.0088 153.4506 556425.3730 11.2737 11.2093 PRESSURE: 4353600 -224.135 -87.4865 61.1565 -87.4883 -86.3369 -193.702 61.1574 -193.701 191.663 GPRESSURE: 4353600 -164.088 -52.5645 101.535 -64.0263 -88.8602 -181.327 14.5183 -184.337 234.431 PRESSAVG: 4353600 -48.6992 25.5047 38.2057 25.5048 -60.6688 -13.7655 38.2056 -13.7655 70.6207 GPRESSAVG: 4353600 -46.7779 26.567 36.4843 24.59 -61.9137 -13.5144 37.1422 -13.5602 69.6978 TIMING: 4353600 CPU: 12603.9, 0.00289517/step Wall: 12603.9, 0.00289517/step, 0.519843 hours remaining, 210.867188 MB of memory in use. ENERGY: 4353600 746.9024 2066.4536 1966.1958 115.8170 -206109.2243 17650.4780 0.0000 0.0000 34491.6181 -149071.7594 301.2239 -183563.3775 -148963.2300 300.6031 -39.6028 -6.1722 556397.6154 -12.9158 -12.9979 PRESSURE: 4353800 205.922 -14.2977 -116.425 -14.2965 118.997 -49.7032 -116.424 -49.7026 51.9011 GPRESSURE: 4353800 201.662 -86.3062 -88.3329 -20.3514 156.798 17.0692 -135.384 -164.822 123.063 PRESSAVG: 4353800 -31.912 -7.61501 39.3321 -7.61497 20.8314 -9.64259 39.3319 -9.6426 33.7308 GPRESSAVG: 4353800 -33.1878 -7.53844 40.7892 -8.44962 21.661 -7.56987 38.9301 -8.42055 33.9098 TIMING: 4353800 CPU: 12604.5, 0.00289134/step Wall: 12604.5, 0.00289134/step, 0.518996 hours remaining, 210.867188 MB of memory in use. ENERGY: 4353800 767.9398 2058.4266 1933.0510 116.1030 -206501.7727 18111.3254 0.0000 0.0000 34354.2084 -149160.7184 300.0238 -183514.9268 -149074.8792 299.8262 125.6068 160.5074 557111.9291 7.5501 7.4610 PRESSURE: 4354000 308.848 139.578 91.9934 139.578 235.76 -110.636 91.9929 -110.635 -62.2844 GPRESSURE: 4354000 409.845 107.575 48.7001 136.716 200.894 -75.9567 139.058 -199.443 -44.6229 PRESSAVG: 4354000 35.8229 43.6039 35.2288 43.6038 -56.8417 -33.0981 35.2287 -33.0982 13.7145 GPRESSAVG: 4354000 35.111 42.3959 35.1911 44.3721 -55.2479 -34.39 36.1058 -33.3494 13.1731 TIMING: 4354000 CPU: 12605.1, 0.00289024/step Wall: 12605.1, 0.00289024/step, 0.518637 hours remaining, 210.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4354000 730.7196 2086.1782 1923.6169 121.0745 -206230.6610 17949.8232 0.0000 0.0000 34430.4304 -148988.8181 300.6895 -183419.2486 -148900.0476 300.5707 160.7745 188.7052 556900.8490 -2.4347 -2.3213 PRESSURE: 4354200 -196.768 23.7732 -106.208 23.7733 -166.999 32.4139 -106.207 32.4125 -64.7526 GPRESSURE: 4354200 -178.746 -39.3203 -93.9965 125.006 -100.319 93.7613 -46.7193 -3.47941 -51.6841 PRESSAVG: 4354200 27.8905 9.41398 -24.5729 9.4141 13.7922 72.0233 -24.5729 72.0233 -30.3789 GPRESSAVG: 4354200 28.8551 9.43556 -24.6949 11.7567 12.2819 71.1549 -25.8114 71.9652 -30.3495 TIMING: 4354200 CPU: 12605.7, 0.00290656/step Wall: 12605.7, 0.00290656/step, 0.521404 hours remaining, 210.867188 MB of memory in use. ENERGY: 4354200 782.1530 2051.5549 1931.1553 126.2383 -205834.7247 17596.8471 0.0000 0.0000 34561.0921 -148785.6839 301.8306 -183346.7760 -148686.3276 300.6818 -142.8400 -110.2498 558209.3865 3.7679 3.5959 PRESSURE: 4354400 39.633 -13.4426 69.7361 -13.4436 85.514 -65.1579 69.7362 -65.1584 -139.456 GPRESSURE: 4354400 85.7132 -7.32394 101.866 -13.3261 85.955 -111.491 81.2935 -73.4275 -76.942 PRESSAVG: 4354400 -4.46618 -6.52576 -12.1714 -6.52583 -51.388 47.8105 -12.1713 47.8105 45.7162 GPRESSAVG: 4354400 -5.11466 -6.94682 -14.4344 -7.2324 -50.8504 48.1243 -11.3116 47.3267 45.2991 TIMING: 4354400 CPU: 12606.2, 0.00290513/step Wall: 12606.2, 0.00290513/step, 0.520986 hours remaining, 210.867188 MB of memory in use. ENERGY: 4354400 736.7877 2093.7839 1938.6321 101.5813 -205806.3885 17733.3840 0.0000 0.0000 34389.3936 -148812.8260 300.3311 -183202.2196 -148708.7812 300.9665 -4.7698 31.5754 557234.1555 -3.3793 -3.5553 PRESSURE: 4354600 -202.186 -74.7215 13.6451 -74.7209 -277.876 91.8889 13.6454 91.8894 194.593 GPRESSURE: 4354600 -174.029 -58.7974 57.2634 -172.483 -274.579 40.7812 -30.1666 117.911 267.925 PRESSAVG: 4354600 2.39802 3.8451 13.7586 3.84515 -88.5609 -1.1575 13.7586 -1.15748 66.7682 GPRESSAVG: 4354600 2.30902 4.08906 15.1229 1.72169 -88.7629 -2.80202 14.5445 0.44917 66.9992 TIMING: 4354600 CPU: 12606.8, 0.00288687/step Wall: 12606.8, 0.00288687/step, 0.517552 hours remaining, 210.867188 MB of memory in use. ENERGY: 4354600 734.0422 2063.7778 1935.0405 110.2783 -205333.3776 17432.0565 0.0000 0.0000 34424.6114 -148633.5709 300.6387 -183058.1824 -148545.4600 300.3749 -95.1565 -60.2277 557889.1248 -6.4649 -6.4849 PRESSURE: 4354800 -310.611 86.1419 200.366 86.1418 -88.2245 -12.6304 200.367 -12.6301 -102.405 GPRESSURE: 4354800 -210.796 50.6323 210.693 114.806 -90.3787 -12.5143 239.444 42.1078 -97.5124 PRESSAVG: 4354800 17.6831 17.8365 20.7936 17.8364 -18.0467 1.16268 20.7937 1.16256 20.0396 GPRESSAVG: 4354800 17.0301 18.5052 19.4894 17.6735 -17.6362 3.91076 23.474 -0.159942 20.3558 TIMING: 4354800 CPU: 12607.4, 0.00292747/step Wall: 12607.4, 0.00292747/step, 0.524667 hours remaining, 210.867188 MB of memory in use. ENERGY: 4354800 730.6826 2118.3812 1944.5658 113.1009 -205485.9475 17511.3878 0.0000 0.0000 34353.6800 -148714.1491 300.0192 -183067.8291 -148623.5440 301.1192 -167.0800 -132.8958 558676.0553 6.5587 6.5832 PRESSURE: 4355000 124.687 22.8692 10.5926 22.8691 -167.706 148.81 10.5907 148.811 73.798 GPRESSURE: 4355000 92.3023 -2.14263 32.4731 72.9024 -101.887 138.658 -116.499 175.666 144.506 PRESSAVG: 4355000 17.5971 -29.764 9.785 -29.7639 -44.6875 47.2195 9.78502 47.2196 -22.3259 GPRESSAVG: 4355000 17.641 -29.3682 11.0643 -30.312 -44.0571 46.2369 7.39424 47.5165 -23.5934 TIMING: 4355000 CPU: 12608, 0.00288466/step Wall: 12608, 0.00288466/step, 0.516835 hours remaining, 210.867188 MB of memory in use. ENERGY: 4355000 739.0826 2115.0827 1905.3111 107.0245 -205776.9467 17600.0371 0.0000 0.0000 34584.4598 -148725.9489 302.0347 -183310.4087 -148630.2835 301.1734 10.2596 44.9737 556788.5522 -16.4721 -16.6698 PRESSURE: 4355200 -378.59 -19.6151 -66.8547 -19.6147 -147.668 57.5995 -66.854 57.6002 59.7038 GPRESSURE: 4355200 -303.15 -24.5533 -102.078 -26.7428 -146.29 -71.9706 -115.073 123.323 77.3394 PRESSAVG: 4355200 21.2243 -27.2734 -18.7178 -27.2734 -19.9883 13.0004 -18.7177 13.0003 -20.046 GPRESSAVG: 4355200 20.6205 -26.9334 -19.0979 -29.9014 -20.2423 8.92159 -18.7951 16.0582 -19.4216 TIMING: 4355200 CPU: 12608.6, 0.00290371/step Wall: 12608.6, 0.00290371/step, 0.520088 hours remaining, 210.867188 MB of memory in use. ENERGY: 4355200 766.3789 2025.3062 1942.2320 117.0578 -205848.9840 17714.2904 0.0000 0.0000 34348.7653 -148934.9532 299.9763 -183283.7185 -148836.5471 300.4564 -155.5181 -124.0337 558347.9782 -6.2700 -6.3478 PRESSURE: 4355400 121.406 -99.1998 106.074 -99.1981 -278.935 10.0895 106.074 10.0895 47.0365 GPRESSURE: 4355400 111.36 -100.537 8.57693 -78.0138 -252.485 49.4527 133.062 6.32919 122.714 PRESSAVG: 4355400 -81.177 31.1721 -18.2843 31.1721 36.3313 -20.0827 -18.2842 -20.0827 59.4144 GPRESSAVG: 4355400 -80.9398 30.5998 -16.2234 34.0756 35.8057 -16.2526 -17.9334 -21.8465 59.7019 TIMING: 4355400 CPU: 12609.1, 0.00288721/step Wall: 12609.1, 0.00288721/step, 0.516972 hours remaining, 210.867188 MB of memory in use. ENERGY: 4355400 719.8815 2043.5586 1946.2375 116.0514 -205851.8027 17630.6248 0.0000 0.0000 34487.0589 -148908.3900 301.1841 -183395.4489 -148810.3928 300.1100 -36.8307 -6.1369 557244.1933 4.8562 4.8559 PRESSURE: 4355600 61.1336 6.08103 -119.732 6.08087 -75.9167 98.772 -119.732 98.7712 69.0147 GPRESSURE: 4355600 64.7543 5.36261 -112.412 51.8646 -18.9544 103.984 -25.3341 46.9832 114.685 PRESSAVG: 4355600 26.2255 7.05045 -17.9467 7.0504 -42.4369 -13.6985 -17.9468 -13.6985 -21.722 GPRESSAVG: 4355600 25.8821 7.42103 -19.6436 6.10141 -43.5392 -13.2331 -17.5775 -15.0966 -21.0085 TIMING: 4355600 CPU: 12609.7, 0.00287708/step Wall: 12609.7, 0.00287708/step, 0.514997 hours remaining, 210.867188 MB of memory in use. ENERGY: 4355600 758.8118 2040.5902 1939.8648 110.6861 -205838.2806 17756.8268 0.0000 0.0000 34147.3885 -149084.1123 298.2176 -183231.5009 -148987.4731 300.0717 18.0772 53.4949 558192.6837 -12.6445 -12.8885 PRESSURE: 4355800 -115 61.6441 -131.375 61.6436 -292.062 149.491 -131.374 149.491 -147.387 GPRESSURE: 4355800 -69.4143 178.301 -263.42 -22.2996 -276.532 60.4662 -133.19 255.519 -96.7391 PRESSAVG: 4355800 -27.3953 47.839 -41.5201 47.839 40.2137 32.8158 -41.5201 32.8159 16.7888 GPRESSAVG: 4355800 -26.991 47.0558 -40.7806 48.6228 40.625 32.1585 -42.5598 33.0699 16.2881 TIMING: 4355800 CPU: 12610.3, 0.00288415/step Wall: 12610.3, 0.00288415/step, 0.516102 hours remaining, 210.867188 MB of memory in use. ENERGY: 4355800 757.8125 2142.1780 1949.5218 121.6911 -206032.8757 17853.0020 0.0000 0.0000 34244.0385 -148964.6318 299.0617 -183208.6703 -148872.7938 299.6748 -184.8163 -147.5617 559869.9097 9.8691 9.9741 PRESSURE: 4356000 -54.7299 18.8748 -148.517 18.8752 -133.619 -149.779 -148.518 -149.779 -28.7923 GPRESSURE: 4356000 -3.95869 -57.795 -176.459 54.5333 -123.616 -167.769 -108.763 -152.377 -19.1792 PRESSAVG: 4356000 44.831 -20.4678 -36.0403 -20.4678 -36.4613 16.0789 -36.0404 16.0788 15.1759 GPRESSAVG: 4356000 43.9142 -21.0743 -37.6882 -20.6763 -34.919 17.4818 -33.9084 16.8284 14.6342 TIMING: 4356000 CPU: 12610.9, 0.00288317/step Wall: 12610.9, 0.00288317/step, 0.515767 hours remaining, 210.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4356000 716.6842 2126.0515 1967.1901 105.3313 -205460.9241 17403.1293 0.0000 0.0000 34260.4420 -148882.0958 299.2050 -183142.5378 -148789.6627 299.5761 -72.3805 -48.9179 558191.6026 7.8485 7.8765 PRESSURE: 4356200 -34.4338 72.9446 32.5425 72.9454 -82.6743 -105.822 32.5417 -105.823 -122.533 GPRESSURE: 4356200 -70.4221 37.3937 -0.292074 108.594 43.7446 -160.244 49.8754 -90.9932 -120.87 PRESSAVG: 4356200 4.67868 -40.0986 32.0457 -40.0985 -7.5917 -11.2193 32.0457 -11.2194 -9.71601 GPRESSAVG: 4356200 4.84961 -39.2876 33.5681 -40.8809 -7.80056 -13.8576 29.6038 -11.3298 -9.68654 TIMING: 4356200 CPU: 12611.4, 0.00289027/step Wall: 12611.4, 0.00289027/step, 0.516877 hours remaining, 210.867188 MB of memory in use. ENERGY: 4356200 745.9813 2117.4869 1943.6912 125.0685 -205957.1729 17649.8240 0.0000 0.0000 34498.8989 -148876.2222 301.2875 -183375.1211 -148782.3190 299.9844 -79.8802 -49.1827 557664.0334 -4.2097 -4.2125 LDB: ============= START OF LOAD BALANCING ============== 12614.8 LDB: ============== END OF LOAD BALANCING =============== 12614.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12614.8 LDB: ============= START OF LOAD BALANCING ============== 12615.1 LDB: Largest compute 4773 load 0.026226 is 22.2% of average load 0.118047 LDB: Average compute 0.001727 is 1.5% of average load 0.118047 LDB: TIME 12615.1 LOAD: AVG 0.118047 MAX 0.178082 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.125 MB LDB: TIME 12615.1 LOAD: AVG 0.118047 MAX 0.178082 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: TIME 12615.1 LOAD: AVG 0.118047 MAX 0.178082 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: ============== END OF LOAD BALANCING =============== 12615.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12615.1 PRESSURE: 4356400 -184.416 65.0699 -64.284 65.0704 -347.677 -111.249 -64.2843 -111.248 -192.949 GPRESSURE: 4356400 -182.479 116.779 -141.808 88.805 -342.741 -67.3421 -23.2226 -153.162 -103.979 PRESSAVG: 4356400 3.31926 -35.1893 19.9439 -35.1893 35.1208 -43.5321 19.9439 -43.5321 -18.6805 GPRESSAVG: 4356400 2.92485 -35.9725 21.2035 -32.3832 34.4287 -41.5944 20.1068 -46.1729 -17.8728 TIMING: 4356400 CPU: 12612, 0.00295035/step Wall: 12612, 0.00295035/step, 0.527457 hours remaining, 212.148438 MB of memory in use. ENERGY: 4356400 761.9566 2113.3534 1968.4141 107.9424 -205762.2863 17475.5702 0.0000 0.0000 34434.9525 -148900.0972 300.7290 -183335.0497 -148802.8941 300.3744 -241.6807 -209.7331 558228.1978 6.5865 6.4936 PRESSURE: 4356600 -107.595 57.6239 25.3774 57.6248 -252.94 80.2929 25.3781 80.2925 -301.384 GPRESSURE: 4356600 -47.1015 37.5879 47.607 121.635 -260.336 136.222 24.522 -26.7342 -256.592 PRESSAVG: 4356600 36.6341 3.81398 61.2967 3.81391 -23.0213 -32.7251 61.2967 -32.7251 -12.1078 GPRESSAVG: 4356600 36.5727 5.07942 58.1474 2.03401 -22.4148 -33.8736 63.5794 -30.2243 -12.4736 TIMING: 4356600 CPU: 12612.6, 0.0029016/step Wall: 12612.6, 0.00290161/step, 0.518581 hours remaining, 212.218750 MB of memory in use. ENERGY: 4356600 755.8179 2071.9123 1950.6586 116.7016 -205701.0426 17627.8414 0.0000 0.0000 34401.4045 -148776.7063 300.4360 -183178.1107 -148682.3343 300.6349 -220.6399 -188.0099 559493.4433 0.5017 0.5615 PRESSURE: 4356800 -378.677 -88.8517 96.8988 -88.8506 295.417 -1.2083 96.8982 -1.20858 -68.0062 GPRESSURE: 4356800 -360.485 10.7156 55.8035 -71.7072 311.885 33.5487 152.707 -48.2312 -3.58763 PRESSAVG: 4356800 -31.2409 23.1617 54.6806 23.1617 29.9681 -16.1244 54.6806 -16.1244 31.6676 GPRESSAVG: 4356800 -31.9347 21.5796 54.6844 25.2191 30.164 -15.2435 54.2438 -17.6091 32.1515 TIMING: 4356800 CPU: 12613.2, 0.00290831/step Wall: 12613.2, 0.00290831/step, 0.519618 hours remaining, 212.218750 MB of memory in use. ENERGY: 4356800 751.5138 2118.7644 1933.6987 119.7351 -205915.1909 17758.1736 0.0000 0.0000 34539.5234 -148693.7819 301.6422 -183233.3052 -148597.5304 301.2151 -50.4223 -17.3959 559559.3068 10.1316 10.1269 PRESSURE: 4357000 66.0684 18.5676 58.6182 18.5672 -98.5221 51.0537 58.6202 51.0533 -378.943 GPRESSURE: 4357000 86.0422 -20.481 21.9463 2.2212 -53.5872 142.003 78.6647 50.1222 -346.47 PRESSAVG: 4357000 -28.892 -37.5998 -40.4344 -37.5998 95.61 4.81878 -40.4344 4.81878 -48.1777 GPRESSAVG: 4357000 -28.4198 -37.0597 -40.6615 -39.633 96.6066 4.29107 -40.4413 7.48544 -49.426 TIMING: 4357000 CPU: 12613.8, 0.00292216/step Wall: 12613.8, 0.00292216/step, 0.52193 hours remaining, 212.218750 MB of memory in use. ENERGY: 4357000 770.5115 2082.7427 1948.9646 112.7899 -205824.5648 17587.7798 0.0000 0.0000 34523.4073 -148798.3689 301.5015 -183321.7762 -148695.7926 300.9685 -137.1323 -104.6717 559449.8009 6.1801 6.2536 PRESSURE: 4357200 360.131 -129.451 31.7819 -129.451 427.734 8.70735 31.7834 8.70674 402.284 GPRESSURE: 4357200 405.03 -45.8121 -67.3802 -178.864 489.875 32.1325 134.614 7.57524 382.716 PRESSAVG: 4357200 35.9756 22.1914 -6.27115 22.1913 40.732 -4.26298 -6.27116 -4.26301 -68.4589 GPRESSAVG: 4357200 37.3323 23.1769 -3.657 22.4749 40.1399 -3.6231 -7.79235 -6.85012 -69.5559 TIMING: 4357200 CPU: 12614.4, 0.00290684/step Wall: 12614.4, 0.00290684/step, 0.519032 hours remaining, 212.218750 MB of memory in use. ENERGY: 4357200 734.3313 2100.1864 1950.6213 114.4739 -206162.3809 18231.4468 0.0000 0.0000 34270.6402 -148760.6810 299.2940 -183031.3212 -148660.3384 299.7566 396.7161 425.8739 557019.7737 2.7495 2.6387 PRESSURE: 4357400 -3.77986 4.50489 3.28475 4.50431 -321.634 -53.3572 3.28493 -53.358 77.5685 GPRESSURE: 4357400 -55.3964 141.871 -73.4899 -53.56 -236.921 -128.543 -4.60126 -57.2598 129.748 PRESSAVG: 4357400 31.2499 44.4291 -10.7458 44.4291 -5.35061 0.880977 -10.7458 0.881032 -51.6119 GPRESSAVG: 4357400 30.5804 43.9728 -12.1799 44.7281 -6.23677 -0.207496 -10.3496 1.13072 -49.5136 TIMING: 4357400 CPU: 12614.9, 0.00290323/step Wall: 12614.9, 0.00290323/step, 0.518227 hours remaining, 212.218750 MB of memory in use. ENERGY: 4357400 753.1210 2080.2973 1954.0818 106.4315 -205490.3499 17521.2383 0.0000 0.0000 34471.4693 -148603.7107 301.0479 -183075.1800 -148506.9352 301.3513 -82.6151 -54.1898 559488.2694 -8.5709 -8.3900 PRESSURE: 4357600 -263.271 105.246 -167.869 105.245 122.007 -100.074 -167.87 -100.074 114.328 GPRESSURE: 4357600 -200.845 100.042 -207.051 105.341 148.85 -151.844 -82.4372 -54.9864 124.48 PRESSAVG: 4357600 -2.61288 11.6484 -58.0371 11.6483 -43.617 -50.4678 -58.0371 -50.4679 37.6071 GPRESSAVG: 4357600 -4.24015 12.485 -58.1568 9.25229 -42.2924 -52.2276 -58.7456 -49.0962 37.5382 TIMING: 4357600 CPU: 12615.5, 0.002897/step Wall: 12615.5, 0.002897/step, 0.516954 hours remaining, 212.218750 MB of memory in use. ENERGY: 4357600 742.3787 2023.0214 1930.6354 106.1371 -205490.3738 17639.7757 0.0000 0.0000 34393.7319 -148654.6936 300.3690 -183048.4255 -148549.7061 300.9892 -8.9784 24.1617 559134.2628 -2.8743 -2.9981 PRESSURE: 4357800 -127.207 36.3934 -151.415 36.3942 202.06 95.4027 -151.415 95.4021 -132.441 GPRESSURE: 4357800 -44.1509 12.2946 -135.496 78.7427 185.5 147.811 -146.127 156.175 -96.3893 PRESSAVG: 4357800 -73.1871 75.6008 17.7892 75.6007 38.2847 9.10856 17.789 9.10849 11.5406 GPRESSAVG: 4357800 -72.4598 74.9019 17.1852 77.9861 37.1582 12.5125 18.1828 7.62922 12.2044 TIMING: 4357800 CPU: 12616.1, 0.00289742/step Wall: 12616.1, 0.00289742/step, 0.516867 hours remaining, 212.218750 MB of memory in use. ENERGY: 4357800 751.6046 2103.5518 1948.1980 116.7175 -205887.4028 17811.4473 0.0000 0.0000 34560.7472 -148595.1364 301.8276 -183155.8836 -148502.4012 301.1525 -19.1961 14.9864 558974.0778 -7.7873 -7.6990 PRESSURE: 4358000 -7.85451 44.4383 130.317 44.4382 52.1213 49.7996 130.317 49.7985 26.9197 GPRESSURE: 4358000 75.0475 91.5604 95.8245 46.2792 62.9962 31.1328 148.538 84.7784 21.1663 PRESSAVG: 4358000 28.3477 54.9126 29.3569 54.9125 -14.8431 -4.89559 29.3568 -4.89555 -28.2814 GPRESSAVG: 4358000 28.3848 54.5643 29.4727 54.0587 -14.3551 -5.65807 29.1234 -3.94323 -29.0164 TIMING: 4358000 CPU: 12616.7, 0.00289044/step Wall: 12616.7, 0.00289044/step, 0.515462 hours remaining, 212.218750 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: 4358000 796.8559 2107.0283 1932.2363 107.1028 -205526.0275 17644.1133 0.0000 0.0000 34387.4804 -148551.2104 300.3144 -182938.6908 -148449.3632 301.2770 23.7289 53.0700 557736.9903 -4.9256 -4.9956 PRESSURE: 4358200 -189.321 -4.66644 30.0425 -4.66629 67.4899 -35.4273 30.0427 -35.4272 98.4347 GPRESSURE: 4358200 -161.091 -16.6774 70.7618 18.287 104.91 5.24432 30.121 -30.8085 145.159 PRESSAVG: 4358200 24.8442 41.2161 -16.8125 41.2163 61.496 -10.512 -16.8126 -10.5121 -34.6627 GPRESSAVG: 4358200 26.4796 40.9769 -16.3829 41.959 60.4827 -11.3493 -16.0952 -9.4326 -34.8566 TIMING: 4358200 CPU: 12617.3, 0.00287598/step Wall: 12617.3, 0.00287598/step, 0.512723 hours remaining, 212.218750 MB of memory in use. ENERGY: 4358200 766.0067 2129.0744 1947.9075 131.6547 -205855.9234 17872.9631 0.0000 0.0000 34653.7873 -148354.5297 302.6401 -183008.3170 -148266.1576 301.0707 -7.7986 29.6597 558979.9256 17.2258 17.3686 PRESSURE: 4358400 130.748 -52.1459 -26.6222 -52.145 401.551 70.3495 -26.6209 70.3499 260.587 GPRESSURE: 4358400 184.27 -8.59543 -0.528894 -36.3182 398.682 72.1239 -4.65048 82.8563 303.691 PRESSAVG: 4358400 10.7392 38.2599 10.2418 38.2597 16.0622 -39.4777 10.2418 -39.4777 -14.5137 GPRESSAVG: 4358400 8.70198 38.3093 10.5012 39.3218 17.3392 -38.9544 11.1403 -42.073 -14.2054 TIMING: 4358400 CPU: 12617.8, 0.00287111/step Wall: 12617.8, 0.00287111/step, 0.511696 hours remaining, 212.218750 MB of memory in use. ENERGY: 4358400 733.8076 2120.4140 1928.8219 108.2035 -206188.5957 18139.4340 0.0000 0.0000 34464.6368 -148693.2779 300.9882 -183157.9147 -148593.5407 301.7953 264.2955 295.5478 557083.3816 4.0959 3.9453 PRESSURE: 4358600 66.8595 -25.6659 177.516 -25.6642 -48.646 -84.2352 177.516 -84.2368 -18.5601 GPRESSURE: 4358600 65.1272 -64.7566 198.351 74.84 15.108 -90.7511 121.2 -62.3777 16.6587 PRESSAVG: 4358600 21.642 -18.8021 -10.145 -18.8021 -2.42241 -9.99877 -10.145 -9.99874 32.8927 GPRESSAVG: 4358600 22.3234 -19.1949 -10.1963 -18.3843 -2.32239 -11.2472 -11.6176 -9.51094 31.9034 TIMING: 4358600 CPU: 12618.4, 0.00288216/step Wall: 12618.4, 0.00288216/step, 0.513504 hours remaining, 212.218750 MB of memory in use. ENERGY: 4358600 789.8267 2106.4583 1951.7849 121.2704 -205733.7634 17655.3170 0.0000 0.0000 34433.0318 -148676.0744 300.7122 -183109.1062 -148575.2770 300.9170 -0.1155 32.2980 557093.3692 17.3707 17.3015 PRESSURE: 4358800 -67.4622 66.3047 -191.061 66.3047 -198.912 -3.77692 -191.06 -3.77637 -398.901 GPRESSURE: 4358800 -72.5278 33.1907 -192.546 128.628 -114.662 -1.93907 -171.242 42.7377 -390.326 PRESSAVG: 4358800 11.1996 -14.7383 45.5858 -14.7383 -0.346934 -11.9373 45.5859 -11.9373 -43.6778 GPRESSAVG: 4358800 12.1588 -15.475 44.07 -15.2938 -1.02666 -11.6966 44.1471 -11.4332 -44.4376 TIMING: 4358800 CPU: 12619, 0.00288136/step Wall: 12619, 0.00288136/step, 0.513203 hours remaining, 212.218750 MB of memory in use. ENERGY: 4358800 767.8921 2088.2211 1957.5238 110.9830 -205334.7230 17257.3780 0.0000 0.0000 34483.5875 -148669.1375 301.1537 -183152.7250 -148572.7136 300.9715 -221.7586 -192.5052 558114.1988 -10.9417 -11.1018 PRESSURE: 4359000 22.9499 -111.22 16.2836 -111.22 160.783 -45.9377 16.2849 -45.9383 140.286 GPRESSURE: 4359000 51.8407 -138.569 -5.70602 -28.8744 179.879 -84.4982 2.10493 -50.4902 186.848 PRESSAVG: 4359000 5.67522 52.8055 10.3458 52.8056 -7.01885 -16.8619 10.3459 -16.8619 -31.1258 GPRESSAVG: 4359000 4.19636 54.639 10.2874 52.3039 -7.13624 -17.3149 11.2708 -16.2376 -30.0363 TIMING: 4359000 CPU: 12619.6, 0.00288548/step Wall: 12619.6, 0.00288548/step, 0.513775 hours remaining, 212.218750 MB of memory in use. ENERGY: 4359000 749.2746 2046.2214 1924.3744 113.8980 -206390.2563 17977.1112 0.0000 0.0000 34674.3075 -148905.0692 302.8194 -183579.3768 -148806.9326 301.3268 108.0060 139.5226 556255.8561 -10.8231 -10.9921 PRESSURE: 4359200 172.028 59.2638 -31.0115 59.2643 135.143 -0.738001 -31.0105 -0.740859 35.1569 GPRESSURE: 4359200 245.867 74.7148 10.4093 42.9064 140.518 -69.6946 -38.1867 4.42567 61.8937 PRESSAVG: 4359200 11.666 -8.42796 4.57852 -8.42808 -9.71811 28.5133 4.57863 28.5134 13.5108 GPRESSAVG: 4359200 10.931 -10.0325 7.25 -8.75581 -10.2335 29.5435 4.48294 27.4428 14.6024 TIMING: 4359200 CPU: 12620.1, 0.00289137/step Wall: 12620.1, 0.00289137/step, 0.514663 hours remaining, 212.218750 MB of memory in use. ENERGY: 4359200 759.5881 2114.2904 1938.1339 123.3333 -206326.8182 18027.9181 0.0000 0.0000 34389.2779 -148974.2766 300.3301 -183363.5545 -148875.1111 300.6740 114.1093 149.4261 558096.6996 5.1529 5.0999 PRESSURE: 4359400 -196.204 7.25299 68.2737 7.25182 -196.825 188.959 68.2738 188.961 59.0346 GPRESSURE: 4359400 -172.346 16.3643 105.969 36.9528 -122.775 240.25 78.6453 198.753 53.3475 PRESSAVG: 4359400 -70.3464 4.92029 -23.2755 4.92045 -10.0022 53.0558 -23.2754 53.0558 50.2301 GPRESSAVG: 4359400 -69.6067 5.63046 -24.3232 4.2261 -9.36527 54.4766 -24.169 52.099 49.2881 TIMING: 4359400 CPU: 12620.7, 0.00290503/step Wall: 12620.7, 0.00290503/step, 0.516935 hours remaining, 212.218750 MB of memory in use. ENERGY: 4359400 758.9781 2064.7084 1951.6986 112.7930 -205886.2351 17572.8214 0.0000 0.0000 34397.3973 -149027.8385 300.4010 -183425.2358 -148937.9186 299.8187 -111.3313 -80.5912 557502.4954 -10.0395 -9.8946 PRESSURE: 4359600 55.8394 9.82041 46.1165 9.82101 125.741 21.5756 46.1158 21.5762 79.9215 GPRESSURE: 4359600 95.8649 0.145293 33.695 77.8001 120.973 -48.4027 25.7882 130.287 149.393 PRESSAVG: 4359600 -62.3083 -15.0422 -23.5318 -15.0422 19.6258 31.0144 -23.5319 31.0145 71.0254 GPRESSAVG: 4359600 -62.0592 -17.006 -22.4264 -14.6192 18.964 29.8575 -24.559 31.8628 71.2408 TIMING: 4359600 CPU: 12621.3, 0.00290327/step Wall: 12621.3, 0.00290327/step, 0.516459 hours remaining, 212.218750 MB of memory in use. ENERGY: 4359600 720.7430 2087.2370 1924.0550 112.8178 -206220.9097 17848.7735 0.0000 0.0000 34546.7710 -148980.5123 301.7055 -183527.2833 -148879.0695 300.2622 87.1673 122.0767 556913.3067 9.4476 9.3819 PRESSURE: 4359800 -30.2732 104.319 50.5469 104.319 -99.3184 49.2423 50.5464 49.2433 166.196 GPRESSURE: 4359800 28.358 22.393 181.328 138.699 -132.112 79.3594 -27.6917 -9.8422 221.311 PRESSAVG: 4359800 -36.1025 -47.4133 -27.6374 -47.4134 -5.44127 -43.8449 -27.6373 -43.845 52.3644 GPRESSAVG: 4359800 -36.5857 -44.9157 -29.7843 -48.3592 -6.05019 -46.0986 -27.7674 -41.0299 53.5638 TIMING: 4359800 CPU: 12621.9, 0.00292056/step Wall: 12621.9, 0.00292056/step, 0.519372 hours remaining, 212.218750 MB of memory in use. ENERGY: 4359800 747.1020 2137.9400 1933.8773 116.9038 -205638.7710 17472.9115 0.0000 0.0000 34216.1333 -149013.9030 298.8180 -183230.0363 -148921.1432 300.1448 12.2014 39.1856 555758.9523 3.6069 3.6426 PRESSURE: 4360000 -179.106 -35.9632 -33.707 -35.9647 7.44298 -13.7059 -33.7071 -13.7049 -193.802 GPRESSURE: 4360000 -107.384 -37.7129 -39.1834 -24.3036 33.3721 -20.0551 15.3196 31.4959 -200.94 PRESSAVG: 4360000 25.7155 -12.2705 -1.93579 -12.2705 -14.0624 -76.6788 -1.93573 -76.6788 -10.4813 GPRESSAVG: 4360000 26.3766 -12.3754 -0.401295 -10.2887 -13.3142 -75.8164 0.715253 -77.8498 -12.2466 TIMING: 4360000 CPU: 12622.5, 0.00290071/step Wall: 12622.5, 0.00290071/step, 0.515682 hours remaining, 212.218750 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: 4360000 740.1318 2068.9182 1930.0817 125.6483 -205761.0221 17505.0913 0.0000 0.0000 34464.9472 -148926.2036 300.9910 -183391.1508 -148825.4354 299.9432 -121.8215 -91.6505 556237.2938 0.3906 0.2719 PRESSURE: 4360200 -251.638 34.3579 59.1921 34.3579 -110.234 -199.378 59.1931 -199.377 -283.084 GPRESSURE: 4360200 -178.662 9.42353 71.9972 60.1956 -98.522 -145.993 58.7757 -201.881 -281.649 PRESSAVG: 4360200 -31.8668 19.7835 25.3472 19.7834 -4.67462 -10.0022 25.3472 -10.0021 28.8931 GPRESSAVG: 4360200 -31.2561 17.0052 24.5488 19.4345 -3.77972 -8.71263 23.9162 -11.1067 28.0407 TIMING: 4360200 CPU: 12623, 0.00290926/step Wall: 12623, 0.00290926/step, 0.517041 hours remaining, 212.218750 MB of memory in use. ENERGY: 4360200 756.7266 2071.1476 1932.2970 110.0588 -205356.5719 17219.9517 0.0000 0.0000 34285.7689 -148980.6212 299.4261 -183266.3901 -148876.5013 300.3960 -214.9851 -186.2775 557364.4618 -2.5494 -2.3317 LDB: ============= START OF LOAD BALANCING ============== 12626.4 LDB: ============== END OF LOAD BALANCING =============== 12626.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12626.4 LDB: ============= START OF LOAD BALANCING ============== 12626.7 LDB: Largest compute 4773 load 0.026711 is 22.6% of average load 0.117994 LDB: Average compute 0.001723 is 1.5% of average load 0.117994 LDB: TIME 12626.7 LOAD: AVG 0.117994 MAX 0.181812 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.664 MB LDB: TIME 12626.7 LOAD: AVG 0.117994 MAX 0.181812 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.664 MB LDB: TIME 12626.7 LOAD: AVG 0.117994 MAX 0.181812 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.664 MB LDB: ============== END OF LOAD BALANCING =============== 12626.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12626.7 PRESSURE: 4360400 141.539 116.16 59.1346 116.16 -73.8278 14.5148 59.1334 14.5155 48.9344 GPRESSURE: 4360400 147.136 117.084 -23.6421 61.3501 -27.6678 -59.7286 58.2747 90.8512 103.378 PRESSAVG: 4360400 -32.0457 1.65302 7.36407 1.65309 17.544 -8.18586 7.36409 -8.18592 18.6097 GPRESSAVG: 4360400 -32.9321 3.25085 6.0532 1.75823 17.192 -11.2186 7.75909 -7.02947 20.5028 TIMING: 4360400 CPU: 12623.6, 0.00297367/step Wall: 12623.6, 0.00297367/step, 0.528322 hours remaining, 211.183594 MB of memory in use. ENERGY: 4360400 753.4619 2087.0179 1918.4054 107.6005 -205962.4267 17881.7825 0.0000 0.0000 34317.7915 -148896.3670 299.7058 -183214.1585 -148795.5603 300.3201 38.8819 74.2819 557450.5992 1.3694 1.5876 PRESSURE: 4360600 88.9399 -38.7473 -157.993 -38.7486 -185.89 -33.358 -157.993 -33.3579 -199.461 GPRESSURE: 4360600 59.8769 -12.5979 -80.8479 -97.6556 -169.085 -119.624 -100.719 -14.0191 -97.034 PRESSAVG: 4360600 74.4268 18.8768 -32.6029 18.8767 -60.2782 -14.2869 -32.603 -14.2869 -10.9387 GPRESSAVG: 4360600 74.7345 17.2666 -30.9893 18.8275 -60.664 -11.4795 -33.8022 -15.8071 -10.6199 TIMING: 4360600 CPU: 12624.2, 0.00291698/step Wall: 12624.2, 0.00291698/step, 0.518088 hours remaining, 211.183594 MB of memory in use. ENERGY: 4360600 724.9974 2079.3572 1909.9024 105.3231 -205693.4869 17456.2988 0.0000 0.0000 34363.9264 -149053.6817 300.1087 -183417.6080 -148948.5335 299.5201 -98.8036 -68.7474 557189.2670 1.0699 1.1502 PRESSURE: 4360800 170.74 -86.6163 33.5335 -86.6164 -321.077 -21.3093 33.5337 -21.3103 -221.842 GPRESSURE: 4360800 182.135 -49.4007 3.11671 -43.2166 -247.604 -32.5236 70.7567 -69.6355 -203.584 PRESSAVG: 4360800 93.2335 -46.5276 35.482 -46.5276 -67.0775 -21.3117 35.482 -21.3117 -16.3836 GPRESSAVG: 4360800 93.4893 -46.7679 33.6692 -44.766 -66.6995 -22.0797 38.2318 -20.1999 -16.422 TIMING: 4360800 CPU: 12624.8, 0.0029328/step Wall: 12624.8, 0.0029328/step, 0.520734 hours remaining, 211.183594 MB of memory in use. ENERGY: 4360800 768.3667 2045.1345 1948.8060 111.0111 -205936.6407 17567.5784 0.0000 0.0000 34369.6373 -149126.1067 300.1586 -183495.7440 -149024.5842 299.7118 -124.0596 -89.6843 556819.5540 3.2575 3.4559 PRESSURE: 4361000 -392.472 -9.89643 -32.9383 -9.89583 -6.54651 125.364 -32.939 125.366 -374.388 GPRESSURE: 4361000 -373.189 -21.9488 -10.5656 5.50855 13.1332 169.307 -95.0338 130.006 -322.854 PRESSAVG: 4361000 69.9792 -23.7315 -28.4457 -23.7315 1.91892 34.4928 -28.4457 34.4928 -71.4104 GPRESSAVG: 4361000 69.2497 -23.034 -27.3379 -24.9412 2.2423 35.8381 -30.6715 35.1233 -71.0612 TIMING: 4361000 CPU: 12625.4, 0.00290838/step Wall: 12625.4, 0.00290838/step, 0.516237 hours remaining, 211.183594 MB of memory in use. ENERGY: 4361000 727.9990 2093.7211 1936.2408 106.5221 -205227.1285 17147.1260 0.0000 0.0000 34110.5597 -149104.9597 297.8960 -183215.5194 -149010.0615 299.0724 -257.8022 -227.6367 557310.2141 0.1626 0.1436 PRESSURE: 4361200 213.984 -115.334 41.9864 -115.334 72.7276 136.327 41.987 136.327 183.028 GPRESSURE: 4361200 252.915 -245.81 39.8119 -12.5274 86.2488 61.7897 43.9592 195.307 212.228 PRESSAVG: 4361200 22.2349 -79.4614 0.62884 -79.4614 -19.5594 16.7758 0.628787 16.7758 -36.6376 GPRESSAVG: 4361200 23.5814 -78.3849 -0.336604 -80.431 -19.2827 16.4164 -0.214845 15.793 -38.5979 TIMING: 4361200 CPU: 12626, 0.00291094/step Wall: 12626, 0.00291094/step, 0.516529 hours remaining, 211.183594 MB of memory in use. ENERGY: 4361200 723.2134 2100.1239 1967.5652 106.0340 -206311.1168 18020.5238 0.0000 0.0000 34356.6200 -149037.0365 300.0449 -183393.6565 -148948.0376 300.1378 156.5799 183.7972 557887.8366 -11.3207 -11.4331 PRESSURE: 4361400 -110.045 -160.733 -114.078 -160.733 -45.2507 -87.289 -114.078 -87.2889 -130.411 GPRESSURE: 4361400 -85.152 -122.19 -151.568 -111.319 2.78669 -58.966 -142.284 -43.9925 -118.626 PRESSAVG: 4361400 -4.76464 11.4706 29.866 11.4706 36.6305 81.1744 29.866 81.1746 -9.58235 GPRESSAVG: 4361400 -5.27424 13.4137 32.093 11.1544 35.3132 80.4142 30.9251 81.3007 -7.68687 TIMING: 4361400 CPU: 12626.6, 0.00290674/step Wall: 12626.6, 0.00290674/step, 0.515623 hours remaining, 211.183594 MB of memory in use. ENERGY: 4361400 738.8966 2103.0530 1944.8872 111.4367 -205937.4031 17685.5699 0.0000 0.0000 34176.2906 -149177.2692 298.4700 -183353.5598 -149076.3548 299.7533 -95.2356 -66.9972 557636.4198 7.4278 7.4507 PRESSURE: 4361600 -51.8136 44.7339 -61.6394 44.7346 -99.7722 -60.0825 -61.6391 -60.0815 -41.7713 GPRESSURE: 4361600 -41.0917 35.9101 -70.934 128.93 -93.9064 -119.228 -80.9247 -45.33 32.7653 PRESSAVG: 4361600 5.95152 -16.0674 12.1376 -16.0674 22.3349 -54.541 12.1376 -54.5409 -29.3425 GPRESSAVG: 4361600 4.9527 -16.3199 9.1577 -17.1214 23.2675 -54.4168 12.1086 -53.2704 -28.8811 TIMING: 4361600 CPU: 12627.1, 0.00291511/step Wall: 12627.1, 0.00291511/step, 0.516946 hours remaining, 211.183594 MB of memory in use. ENERGY: 4361600 771.5431 2100.8689 1928.1044 114.1242 -205966.1813 17626.5152 0.0000 0.0000 34418.2643 -149006.7613 300.5833 -183425.0256 -148913.4111 299.2728 -64.4524 -34.0776 556414.8776 -0.3520 -0.2203 PRESSURE: 4361800 -322.484 -106.303 -103.282 -106.303 -175.144 -55.2431 -103.283 -55.2435 -177.357 GPRESSURE: 4361800 -287.472 -165.413 -52.7282 -163.938 -142.563 -35.3513 -151.288 -27.703 -139.473 PRESSAVG: 4361800 -19.6423 -40.7703 11.9277 -40.7703 43.4154 10.2287 11.9277 10.2288 -18.924 GPRESSAVG: 4361800 -19.2415 -40.3431 15.0149 -39.6795 44.6497 11.5336 10.7435 8.55885 -20.3568 TIMING: 4361800 CPU: 12627.7, 0.00290626/step Wall: 12627.7, 0.00290626/step, 0.515215 hours remaining, 211.183594 MB of memory in use. ENERGY: 4361800 780.5098 2111.2985 1940.3418 120.7718 -205804.7785 17487.0190 0.0000 0.0000 34187.5425 -149177.2952 298.5683 -183364.8376 -149083.7219 300.0816 -224.9951 -189.8358 556837.8287 1.6164 1.6838 PRESSURE: 4362000 -117.544 27.5731 -161.705 27.5718 153.831 -132.475 -161.705 -132.476 -170.05 GPRESSURE: 4362000 -42.46 -18.22 -153.547 26.4598 135.442 -106.889 -102.045 -121.138 -124.057 PRESSAVG: 4362000 -57.1084 31.8412 15.1662 31.841 23.4891 6.53025 15.1661 6.53022 29.6578 GPRESSAVG: 4362000 -56.1148 30.4975 13.5471 30.6162 22.2429 6.26467 15.6052 4.826 30.3861 TIMING: 4362000 CPU: 12628.3, 0.00289338/step Wall: 12628.3, 0.00289338/step, 0.512772 hours remaining, 211.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4362000 769.0015 2087.6200 1932.7158 125.3609 -206015.6965 17588.6873 0.0000 0.0000 34359.0643 -149153.2466 300.0663 -183512.3109 -149060.3263 299.9343 -44.5874 -10.3582 556443.0453 -1.3205 -1.1619 PRESSURE: 4362200 -74.3942 -110.871 58.2833 -110.871 -176.415 -95.3688 58.283 -95.3691 -322.001 GPRESSURE: 4362200 -23.2606 10.6312 -41.2739 -52.8452 -202.923 -68.016 4.63182 -144.961 -254.183 PRESSAVG: 4362200 51.9731 36.0734 4.70863 36.0733 -43.6978 -54.786 4.70862 -54.7861 -48.1702 GPRESSAVG: 4362200 50.3865 35.2386 3.58566 37.2561 -42.8349 -54.172 4.94061 -53.2549 -47.5436 TIMING: 4362200 CPU: 12628.9, 0.00288669/step Wall: 12628.9, 0.00288669/step, 0.511425 hours remaining, 211.183594 MB of memory in use. ENERGY: 4362200 774.1101 2068.8690 1953.9492 122.5281 -205784.0606 17442.2297 0.0000 0.0000 34287.3912 -149134.9833 299.4403 -183422.3745 -149043.6228 299.4519 -190.9369 -160.1222 556582.6750 -13.2983 -13.3307 PRESSURE: 4362400 123.646 74.5735 -107.179 74.5746 13.5918 -65.2754 -107.179 -65.2769 -257.686 GPRESSURE: 4362400 148.539 12.4134 -136.03 208.196 36.9831 -48.6651 -21.8677 -80.2283 -211.078 PRESSAVG: 4362400 17.1672 -35.4403 66.9519 -35.4404 18.0203 13.9104 66.9519 13.9105 -14.7323 GPRESSAVG: 4362400 18.4193 -35.759 68.2006 -35.3188 17.4723 11.6262 65.9665 13.5723 -15.3383 TIMING: 4362400 CPU: 12629.5, 0.00289398/step Wall: 12629.5, 0.00289398/step, 0.512556 hours remaining, 211.183594 MB of memory in use. ENERGY: 4362400 752.1964 2057.3506 1919.8974 111.2227 -206249.0924 17782.6769 0.0000 0.0000 34386.5181 -149239.2304 300.3060 -183625.7486 -149135.5810 299.9270 -40.1495 -8.5185 556412.8665 6.8184 6.8511 PRESSURE: 4362600 -82.5327 32.3887 111.621 32.3888 226.189 -167.002 111.622 -167.002 -157.971 GPRESSURE: 4362600 -32.8106 40.9127 168.113 54.5031 266.305 -164.849 49.9606 -133.996 -151.815 PRESSAVG: 4362600 9.85061 -11.5587 67.137 -11.5588 -15.4621 7.96577 67.137 7.96581 -44.4785 GPRESSAVG: 4362600 9.4146 -10.7796 67.3924 -12.4356 -15.472 8.96116 67.6764 9.87176 -43.9018 TIMING: 4362600 CPU: 12630, 0.002879/step Wall: 12630, 0.002879/step, 0.509743 hours remaining, 211.183594 MB of memory in use. ENERGY: 4362600 745.6529 2078.1325 1939.6539 114.1094 -205922.3682 17626.8534 0.0000 0.0000 34129.4589 -149288.5073 298.0611 -183417.9662 -149187.3953 299.4247 -4.7714 27.2263 556284.4164 -16.6967 -16.6531 PRESSURE: 4362800 -31.8608 55.5328 24.8061 55.5328 72.8044 113.417 24.8063 113.416 -251.118 GPRESSURE: 4362800 -16.9814 61.564 27.0433 58.5631 65.5929 68.9917 34.536 162.61 -170.822 PRESSAVG: 4362800 -15.0205 -9.5372 26.6021 -9.53716 70.7035 -21.309 26.6021 -21.309 -8.30855 GPRESSAVG: 4362800 -14.6311 -8.46526 25.8733 -11.3176 69.3878 -20.6032 27.4565 -24.8073 -7.27563 TIMING: 4362800 CPU: 12630.6, 0.00287976/step Wall: 12630.6, 0.00287976/step, 0.509718 hours remaining, 211.183594 MB of memory in use. ENERGY: 4362800 739.6724 2058.8904 1941.8488 117.3390 -205767.1933 17499.7092 0.0000 0.0000 34253.6372 -149156.0963 299.1455 -183409.7335 -149066.2413 298.6834 -70.0581 -40.7369 557184.0173 15.7915 15.8270 PRESSURE: 4363000 -85.5366 -52.1221 -49.2893 -52.1229 -226.278 80.7111 -49.291 80.7107 29.5368 GPRESSURE: 4363000 4.7607 -108.245 -159.989 -63.6817 -242.362 151.789 -138.59 28.2838 47.3404 PRESSAVG: 4363000 -6.85155 -25.3401 -51.0925 -25.3401 0.204055 -16.2155 -51.0926 -16.2155 28.4285 GPRESSAVG: 4363000 -6.74272 -26.9365 -50.4167 -23.7073 0.764132 -14.9216 -51.2497 -15.8542 27.1306 TIMING: 4363000 CPU: 12631.2, 0.00288108/step Wall: 12631.2, 0.00288108/step, 0.50979 hours remaining, 211.183594 MB of memory in use. ENERGY: 4363000 725.8260 2105.6128 1930.2970 114.7526 -205807.8094 17570.1843 0.0000 0.0000 34334.9745 -149026.1621 299.8559 -183361.1366 -148928.2414 298.5993 -94.0924 -63.4203 558103.9289 7.2603 7.0507 PRESSURE: 4363200 8.50364 127.948 -7.11969 127.947 -130.466 -229.688 -7.11921 -229.69 -156.943 GPRESSURE: 4363200 27.6079 161.714 87.8688 27.7067 -131.684 -223.147 -98.1285 -181.502 -81.5405 PRESSAVG: 4363200 24.5322 65.3053 -34.0544 65.3053 -71.4167 -15.9468 -34.0544 -15.9468 5.06431 GPRESSAVG: 4363200 24.9677 66.0973 -34.6496 65.4647 -71.7876 -17.4868 -35.9377 -13.9506 5.2034 TIMING: 4363200 CPU: 12631.8, 0.00289414/step Wall: 12631.8, 0.00289414/step, 0.511942 hours remaining, 211.183594 MB of memory in use. ENERGY: 4363200 725.1299 2088.8043 1932.9544 123.6873 -206185.8909 17805.3573 0.0000 0.0000 34402.8164 -149107.1414 300.4484 -183509.9577 -149009.0983 299.7747 -92.9686 -61.8723 557339.2865 -13.9401 -13.8722 PRESSURE: 4363400 -6.59179 45.0419 -18.8544 45.0438 -45.6503 -110.769 -18.8542 -110.769 -103.951 GPRESSURE: 4363400 -4.14544 21.0743 46.7192 89.0296 30.7838 -112.018 -59.7883 -126.877 -74.6651 PRESSAVG: 4363400 57.4496 -6.54375 -95.6039 -6.54364 39.6095 3.08113 -95.6039 3.08115 -30.4467 GPRESSAVG: 4363400 56.638 -7.25817 -95.5039 -7.70343 40.6 2.44932 -92.7166 3.31122 -31.0188 TIMING: 4363400 CPU: 12632.3, 0.00288396/step Wall: 12632.3, 0.00288397/step, 0.509981 hours remaining, 211.183594 MB of memory in use. ENERGY: 4363400 775.2625 2019.2865 1936.6363 108.1571 -206079.7113 17819.4302 0.0000 0.0000 34380.1736 -149040.7651 300.2506 -183420.9387 -148938.8669 300.0899 -52.0644 -16.0089 556329.3857 22.2041 22.0730 PRESSURE: 4363600 -45.1588 -46.9787 -50.5324 -46.9774 -136.592 37.1973 -50.5318 37.1977 -133.664 GPRESSURE: 4363600 -52.0845 -33.9323 -15.1588 -66.9954 -76.7028 -7.19119 -22.6822 67.9402 -97.5571 PRESSAVG: 4363600 35.997 30.5115 10.5836 30.5114 1.22165 14.4778 10.5836 14.4779 -17.4847 GPRESSAVG: 4363600 36.1241 31.7155 11.5537 31.3808 0.970744 13.8018 9.11992 14.0277 -17.2961 TIMING: 4363600 CPU: 12632.9, 0.00289446/step Wall: 12632.9, 0.00289446/step, 0.511676 hours remaining, 211.183594 MB of memory in use. ENERGY: 4363600 787.7021 2057.7723 1927.7966 122.0920 -205719.4390 17510.6559 0.0000 0.0000 34386.4655 -148926.9545 300.3056 -183313.4200 -148828.5114 300.3256 -105.1383 -75.4482 557755.5088 6.5780 6.5996 PRESSURE: 4363800 -129.132 -73.2706 -49.9117 -73.271 -195.074 -31.206 -49.9129 -31.2072 33.8924 GPRESSURE: 4363800 -87.2303 -104.487 -100.035 -70.7663 -151.289 -36.7942 -52.3671 31.0471 49.4882 PRESSAVG: 4363800 112.485 34.6242 -16.7545 34.6241 -56.03 17.9772 -16.7544 17.9772 -25.2329 GPRESSAVG: 4363800 112.345 32.4224 -16.9591 35.8002 -55.8571 20.1138 -17.1041 19.5755 -25.297 TIMING: 4363800 CPU: 12633.5, 0.0028913/step Wall: 12633.5, 0.0028913/step, 0.510956 hours remaining, 211.183594 MB of memory in use. ENERGY: 4363800 757.7194 2089.3977 1934.6947 124.9641 -205770.1844 17598.9043 0.0000 0.0000 34342.0463 -148922.4580 299.9176 -183264.5043 -148824.9548 300.1008 -96.7713 -63.0103 558203.6772 10.4073 10.3971 PRESSURE: 4364000 70.1307 100.465 67.6482 100.464 115.322 -58.7776 67.648 -58.7768 -23.6003 GPRESSURE: 4364000 137.06 121.523 90.6098 146.89 157.009 -108.556 94.3609 -45.3419 -21.5039 PRESSAVG: 4364000 78.7581 36.5968 -14.8309 36.5968 -13.587 -4.64113 -14.8309 -4.64111 -44.6822 GPRESSAVG: 4364000 80.9655 37.6765 -14.2068 36.0833 -15.1249 -6.32375 -14.8822 -5.28234 -45.8211 TIMING: 4364000 CPU: 12634.1, 0.00287376/step Wall: 12634.1, 0.00287376/step, 0.507698 hours remaining, 211.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4364000 740.5670 2090.4248 1942.7462 120.0074 -206390.9835 18066.8467 0.0000 0.0000 34240.1253 -149190.2661 299.0275 -183430.3914 -149101.3646 299.8459 53.9507 90.8550 558108.3169 6.8297 6.6732 PRESSURE: 4364200 -125.797 -49.8123 151.852 -49.813 -259.842 -192.235 151.85 -192.234 -129.535 GPRESSURE: 4364200 -56.7082 -62.7115 187.873 0.22309 -218.023 -155.372 219.099 -130.32 -139.206 PRESSAVG: 4364200 70.5405 50.1256 -7.61531 50.1255 -9.61258 70.9093 -7.61532 70.9093 -40.9647 GPRESSAVG: 4364200 68.1064 50.5722 -7.30217 49.3597 -8.45436 69.2637 -7.2225 71.0469 -39.081 TIMING: 4364200 CPU: 12634.6, 0.0028731/step Wall: 12634.6, 0.0028731/step, 0.507422 hours remaining, 211.183594 MB of memory in use. ENERGY: 4364200 768.6435 2131.7974 1916.5628 120.8153 -205966.4204 17767.7846 0.0000 0.0000 34031.0678 -149229.7490 297.2018 -183260.8168 -149136.2568 299.9626 -171.7245 -137.9792 559329.2878 6.6544 6.8570 LDB: ============= START OF LOAD BALANCING ============== 12638 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12638 LDB: =============== DONE WITH MIGRATION ================ 12638 LDB: ============= START OF LOAD BALANCING ============== 12638.3 LDB: Largest compute 4773 load 0.023611 is 20.0% of average load 0.117979 LDB: Average compute 0.001729 is 1.5% of average load 0.117979 LDB: TIME 12638.3 LOAD: AVG 0.117979 MAX 0.179854 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.156 MB LDB: TIME 12638.3 LOAD: AVG 0.117979 MAX 0.179854 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.16 MB LDB: TIME 12638.3 LOAD: AVG 0.117979 MAX 0.179854 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.16 MB LDB: ============== END OF LOAD BALANCING =============== 12638.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12638.3 PRESSURE: 4364400 -241.002 -54.52 63.5163 -54.5198 -227.481 51.121 63.5158 51.1216 -102.128 GPRESSURE: 4364400 -228.813 -81.9362 -61.8858 -24.943 -243.359 -1.28339 67.8922 110.335 -11.6192 PRESSAVG: 4364400 41.8197 12.1013 -51.7158 12.1013 -76.9328 26.7319 -51.7156 26.7318 11.4428 GPRESSAVG: 4364400 43.2712 11.5126 -53.1095 12.3102 -77.1345 28.1657 -52.5311 25.7202 10.5025 TIMING: 4364400 CPU: 12635.2, 0.00294335/step Wall: 12635.2, 0.00294335/step, 0.519664 hours remaining, 210.546875 MB of memory in use. ENERGY: 4364400 731.7961 2076.3019 1911.3960 118.7281 -206000.1653 17698.8122 0.0000 0.0000 34220.1501 -149242.9810 298.8531 -183463.1310 -149151.8612 298.8886 -190.2039 -161.2636 559124.7048 -7.8901 -7.7869 PRESSURE: 4364600 216.135 25.4417 -15.8343 25.4411 103.412 23.4644 -15.8338 23.4634 211.177 GPRESSURE: 4364600 244.654 81.824 36.9732 40.8068 116.994 -68.231 6.34337 -72.3588 280.632 PRESSAVG: 4364600 -27.407 -34.6831 -58.4266 -34.683 -18.7879 -34.3657 -58.4266 -34.3657 37.5009 GPRESSAVG: 4364600 -27.9458 -35.9001 -57.886 -33.1558 -19.2115 -33.1699 -58.1217 -33.2581 38.0867 TIMING: 4364600 CPU: 12635.8, 0.00287135/step Wall: 12635.8, 0.00287135/step, 0.506793 hours remaining, 210.750000 MB of memory in use. ENERGY: 4364600 705.7257 2088.9443 1926.5855 108.3966 -206370.4821 17958.4090 0.0000 0.0000 34110.7241 -149471.6969 297.8974 -183582.4210 -149375.4982 298.3365 176.9081 214.0934 557117.7002 -2.8980 -3.0235 PRESSURE: 4364800 136.447 30.3516 32.2561 30.3513 -162.907 -82.5598 32.2557 -82.5599 -145.511 GPRESSURE: 4364800 210.009 33.3513 47.9106 -32.2508 -121.273 -133.27 44.6046 -116.186 -158.821 PRESSAVG: 4364800 18.4471 -23.3746 35.8738 -23.3747 -9.45297 6.40557 35.8738 6.40554 -11.8411 GPRESSAVG: 4364800 18.6237 -23.4337 36.1541 -23.301 -9.12233 5.39425 35.5165 5.02229 -12.4985 TIMING: 4364800 CPU: 12636.4, 0.00289784/step Wall: 12636.4, 0.00289784/step, 0.511308 hours remaining, 210.750000 MB of memory in use. ENERGY: 4364800 770.0375 2082.1079 1948.2150 112.3383 -206473.1056 17783.6180 0.0000 0.0000 34279.7040 -149497.0850 299.3732 -183776.7890 -149398.0961 298.3539 -57.3237 -23.3614 556030.8891 -0.9490 -0.9990 PRESSURE: 4365000 115.319 111.989 -26.6266 111.988 170.215 -46.1382 -26.6261 -46.1379 -16.823 GPRESSURE: 4365000 134.504 108.955 6.33126 74.268 200.605 -28.7203 29.5815 -28.3344 16.9169 PRESSAVG: 4365000 20.6425 -18.2562 6.13426 -18.2563 35.033 -17.864 6.13422 -17.864 -63.1908 GPRESSAVG: 4365000 20.1753 -17.2021 5.69049 -19.3516 35.9538 -14.6143 4.13082 -18.3132 -63.7108 TIMING: 4365000 CPU: 12637, 0.00286819/step Wall: 12637, 0.00286819/step, 0.505916 hours remaining, 210.750000 MB of memory in use. ENERGY: 4365000 720.6703 2078.6858 1926.3233 116.8105 -206503.5718 17791.3399 0.0000 0.0000 34288.2993 -149581.4427 299.4482 -183869.7420 -149488.9610 298.3274 89.5704 117.3420 555908.5397 -2.5051 -2.5272 PRESSURE: 4365200 -48.1539 -164.038 -40.6763 -164.036 -152.274 -121.704 -40.6776 -121.705 -39.292 GPRESSURE: 4365200 -14.1285 -124.961 -74.8739 -211.685 -100.769 -94.3512 0.970879 -69.9393 -21.54 PRESSAVG: 4365200 -34.4043 9.87474 22.5189 9.87471 32.0229 74.8715 22.519 74.8715 -7.12363 GPRESSAVG: 4365200 -33.28 9.31132 22.7941 9.25609 31.1828 72.8105 25.4478 76.4463 -7.32366 TIMING: 4365200 CPU: 12637.5, 0.00287254/step Wall: 12637.5, 0.00287254/step, 0.506525 hours remaining, 210.750000 MB of memory in use. ENERGY: 4365200 777.5943 2050.7172 1927.0251 105.6798 -206455.6285 17821.6968 0.0000 0.0000 34152.4144 -149620.5010 298.2615 -183772.9154 -149529.3967 298.5816 -79.9065 -45.4791 557432.9430 -3.1683 -3.1403 PRESSURE: 4365400 91.7772 -72.8229 -108.234 -72.8227 115.261 27.267 -108.233 27.2668 300.282 GPRESSURE: 4365400 109.18 -92.272 -132.595 -96.661 197.603 -18.6225 -121.356 71.6851 277.029 PRESSAVG: 4365400 104.456 -32.5848 4.08994 -32.5848 -51.2263 40.9172 4.08986 40.9172 -49.5501 GPRESSAVG: 4365400 104.319 -33.8641 1.55843 -31.2674 -51.5748 41.376 5.11732 39.5813 -49.7174 TIMING: 4365400 CPU: 12638.1, 0.00286827/step Wall: 12638.1, 0.00286827/step, 0.505613 hours remaining, 210.750000 MB of memory in use. ENERGY: 4365400 749.1876 2097.5893 1946.7788 110.1293 -206877.0857 18246.9904 0.0000 0.0000 34409.7010 -149316.7094 300.5085 -183726.4103 -149224.8836 298.7884 169.1069 194.6039 557011.6118 1.2266 1.0091 PRESSURE: 4365600 -199.756 65.2278 69.1339 65.2284 -332.025 85.5711 69.1344 85.5715 -389.246 GPRESSURE: 4365600 -181.828 84.9707 60.2128 48.9465 -320.982 113.563 17.8717 111.507 -321.294 PRESSAVG: 4365600 9.61731 11.0275 47.3229 11.0275 12.5357 24.7361 47.3229 24.7363 57.4092 GPRESSAVG: 4365600 8.99983 10.7776 50.8938 9.51228 12.4108 25.6074 46.4962 24.9071 57.4076 TIMING: 4365600 CPU: 12638.7, 0.00285952/step Wall: 12638.7, 0.00285952/step, 0.503911 hours remaining, 210.750000 MB of memory in use. ENERGY: 4365600 792.7433 2022.3828 1920.2819 102.1943 -205650.8826 17324.0384 0.0000 0.0000 34305.3854 -149183.8564 299.5975 -183489.2418 -149088.3159 299.3582 -307.0093 -274.7014 557245.4706 26.5208 26.2727 PRESSURE: 4365800 -132.415 100.033 -47.6438 100.034 -157.762 -125.478 -47.6438 -125.477 -140.08 GPRESSURE: 4365800 -118.029 100.64 -33.2556 151.442 -113.8 -111.433 -88.8907 -146.833 -103.016 PRESSAVG: 4365800 38.5137 8.93429 -43.1048 8.93427 -25.2348 18.9059 -43.1048 18.906 -41.5055 GPRESSAVG: 4365800 38.4741 10.0994 -44.1834 10.8669 -25.4487 16.4363 -44.8587 20.0647 -41.4841 TIMING: 4365800 CPU: 12639.3, 0.00287138/step Wall: 12639.3, 0.00287138/step, 0.505841 hours remaining, 210.750000 MB of memory in use. ENERGY: 4365800 795.4747 2044.3291 1951.1160 108.7159 -205922.3462 17487.7969 0.0000 0.0000 34345.1935 -149189.7201 299.9451 -183534.9136 -149095.7884 298.9813 -143.4190 -111.6153 556332.3765 -9.4089 -9.4862 PRESSURE: 4366000 -65.8493 154.047 221.695 154.048 -42.1719 -52.5697 221.696 -52.5695 -380.909 GPRESSURE: 4366000 -20.2114 177.313 194.125 160.053 23.4748 -14.0721 139.824 -74.7836 -389.338 PRESSAVG: 4366000 74.8607 -34.4301 62.2812 -34.4301 -30.5952 -21.9248 62.2811 -21.9248 -51.9106 GPRESSAVG: 4366000 73.566 -34.3214 63.6542 -36.1774 -30.0779 -20.7252 60.7488 -21.4204 -50.8099 TIMING: 4366000 CPU: 12639.8, 0.00288241/step Wall: 12639.8, 0.00288241/step, 0.507625 hours remaining, 210.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4366000 760.3569 2070.3504 1909.7181 107.3876 -205636.8989 17490.1055 0.0000 0.0000 34162.7130 -149136.2674 298.3515 -183298.9804 -149041.6791 299.7146 -162.9769 -128.6916 556412.7152 -2.5483 -2.4406 PRESSURE: 4366200 148.774 -22.5461 -46.9314 -22.5465 -185.369 -78.3316 -46.9322 -78.3324 126.092 GPRESSURE: 4366200 198.147 55.3891 -87.2152 -98.5866 -166.024 -99.3494 -114.277 -35.7376 150.382 PRESSAVG: 4366200 52.0635 11.7654 -6.37365 11.7654 -17.0602 -29.6069 -6.37356 -29.6068 -14.9602 GPRESSAVG: 4366200 53.2984 10.9306 -10.2507 12.0926 -17.6492 -30.8476 -3.0668 -31.3733 -15.2819 TIMING: 4366200 CPU: 12640.4, 0.00290607/step Wall: 12640.4, 0.00290607/step, 0.51163 hours remaining, 210.750000 MB of memory in use. ENERGY: 4366200 744.0772 2062.7901 1932.3229 109.6681 -206055.3434 17818.1913 0.0000 0.0000 34227.2524 -149161.0413 298.9151 -183388.2937 -149060.9835 300.1152 29.8323 60.8351 556099.1578 6.6810 6.7891 PRESSURE: 4366400 105.564 33.6882 59.4195 33.6884 -152.794 39.5913 59.4202 39.5922 -138.17 GPRESSURE: 4366400 125.719 54.7872 104.491 57.5631 -62.1336 21.6944 52.4359 12.3337 -172.793 PRESSAVG: 4366400 40.5679 2.69907 24.5158 2.69911 19.8735 1.64474 24.5158 1.64477 -46.074 GPRESSAVG: 4366400 39.8029 3.83666 26.3615 2.91126 20.2784 2.18751 23.9169 3.39394 -45.3782 TIMING: 4366400 CPU: 12641, 0.00290276/step Wall: 12641, 0.00290276/step, 0.510886 hours remaining, 210.750000 MB of memory in use. ENERGY: 4366400 714.7238 2089.9709 1928.2970 111.1539 -205479.4457 17231.5929 0.0000 0.0000 34154.3208 -149249.3864 298.2782 -183403.7072 -149156.2570 298.5435 -61.7997 -36.4026 555463.6372 4.7891 4.9010 PRESSURE: 4366600 -65.4266 41.1682 -138.893 41.1687 -305.751 62.6699 -138.893 62.6699 118.979 GPRESSURE: 4366600 -18.3892 71.5266 -138.851 23.2625 -260.6 59.6742 -100.891 55.7176 121.11 PRESSAVG: 4366600 33.6536 18.7771 23.4577 18.7771 -71.4713 18.0795 23.4579 18.0794 11.6885 GPRESSAVG: 4366600 35.0167 18.9443 25.359 18.2712 -71.5579 19.4293 23.4482 17.2732 10.7166 TIMING: 4366600 CPU: 12641.6, 0.00286287/step Wall: 12641.6, 0.00286287/step, 0.503706 hours remaining, 210.750000 MB of memory in use. ENERGY: 4366600 752.6153 2007.6827 1938.1935 109.9417 -206145.7536 17656.3684 0.0000 0.0000 34412.5468 -149268.4051 300.5333 -183680.9519 -149166.3029 299.2866 -84.0660 -52.6266 557742.6259 -8.7097 -8.6082 PRESSURE: 4366800 -148.21 55.3921 -178.358 55.3936 -10.1006 -43.6663 -178.357 -43.6666 -65.1807 GPRESSURE: 4366800 -139.835 140.901 -175.9 69.5423 2.65048 -72.3371 -203.877 -8.39535 2.74688 PRESSAVG: 4366800 24.3104 56.4174 -32.6268 56.4174 -84.0982 13.7091 -32.6267 13.709 51.5161 GPRESSAVG: 4366800 23.2268 57.4518 -33.4478 55.2981 -84.3413 13.1392 -33.3802 11.9568 53.1958 TIMING: 4366800 CPU: 12642.1, 0.00287883/step Wall: 12642.1, 0.00287883/step, 0.506354 hours remaining, 210.750000 MB of memory in use. ENERGY: 4366800 766.0719 2043.5610 1943.0861 109.0623 -206074.9733 17722.4199 0.0000 0.0000 34241.9399 -149248.8322 299.0434 -183490.7721 -149152.8832 299.4680 -74.4970 -44.8127 558254.8173 -2.7572 -2.6395 PRESSURE: 4367000 -188.849 60.3224 -101.867 60.321 -88.8923 -196.239 -101.866 -196.238 -167.728 GPRESSURE: 4367000 -126.539 -13.9778 -67.7462 98.7477 -31.7127 -252.696 -40.764 -183.536 -206.139 PRESSAVG: 4367000 14.8548 28.4588 -49.7657 28.4587 27.6699 -34.8413 -49.7657 -34.8414 -17.9416 GPRESSAVG: 4367000 15.4681 27.3786 -50.1529 30.1127 28.1774 -37.5679 -47.9301 -32.9307 -19.618 TIMING: 4367000 CPU: 12642.7, 0.00285673/step Wall: 12642.7, 0.00285673/step, 0.502309 hours remaining, 210.750000 MB of memory in use. ENERGY: 4367000 709.1523 2023.8798 1921.7931 109.1483 -205866.2903 17525.4963 0.0000 0.0000 34335.6965 -149241.1242 299.8622 -183576.8207 -149137.9699 298.6275 -148.4896 -121.4634 558000.4579 8.1944 8.0092 PRESSURE: 4367200 -145.223 97.8163 86.8593 97.8158 113.349 97.7191 86.8594 97.7191 121.373 GPRESSURE: 4367200 -130.019 146.691 103.614 101.223 163.766 106.662 70.1984 67.3062 157.875 PRESSAVG: 4367200 -57.3977 57.9691 -12.3625 57.9691 17.9712 44.306 -12.3624 44.3059 36.4988 GPRESSAVG: 4367200 -57.7202 58.9452 -14.1264 56.8829 18.5312 44.9031 -13.0069 44.7328 36.738 TIMING: 4367200 CPU: 12643.3, 0.00288602/step Wall: 12643.3, 0.00288602/step, 0.507298 hours remaining, 210.750000 MB of memory in use. ENERGY: 4367200 731.0869 2057.4233 1927.9340 102.4092 -206091.6422 17900.2775 0.0000 0.0000 34132.1027 -149240.4086 298.0841 -183372.5112 -149136.5243 298.5488 29.8331 63.8740 557935.9348 -0.9759 -0.8170 PRESSURE: 4367400 15.9754 51.3841 -94.0123 51.3857 -122.738 139.867 -94.0139 139.867 -248.057 GPRESSURE: 4367400 29.1859 -30.3127 -175.557 123.46 -119.964 40.2706 -51.7597 183.535 -163.386 PRESSAVG: 4367400 -96.306 10.3072 10.174 10.3072 66.1801 42.5775 10.174 42.5776 19.9907 GPRESSAVG: 4367400 -97.1909 9.97751 12.6199 11.8263 66.6201 43.3724 7.5992 41.2019 20.4679 TIMING: 4367400 CPU: 12643.9, 0.00291089/step Wall: 12643.9, 0.00291089/step, 0.511507 hours remaining, 210.750000 MB of memory in use. ENERGY: 4367400 758.5226 2044.3190 1950.7174 116.6741 -206016.2799 17662.3820 0.0000 0.0000 34284.0755 -149199.5893 299.4114 -183483.6648 -149101.9848 298.4444 -118.2734 -84.7215 559167.1797 -3.3784 -3.3677 PRESSURE: 4367600 -311.13 150.162 50.4181 150.163 -108.746 -109.247 50.4176 -109.246 -4.1372 GPRESSURE: 4367600 -323.197 161.806 57.3213 114.411 -34.556 -85.8861 36.8501 -149.78 44.434 PRESSAVG: 4367600 -45.8353 14.6129 -11.6537 14.6129 12.7099 22.5953 -11.6537 22.5953 9.07052 GPRESSAVG: 4367600 -44.9853 13.3631 -10.6574 15.0157 12.0983 21.1878 -10.205 25.5221 8.84724 TIMING: 4367600 CPU: 12644.5, 0.00287987/step Wall: 12644.5, 0.00287987/step, 0.505898 hours remaining, 210.750000 MB of memory in use. ENERGY: 4367600 760.9741 2106.4805 1959.5691 113.4248 -206178.5990 17854.2397 0.0000 0.0000 34358.6259 -149025.2848 300.0624 -183383.9107 -148932.7349 298.9167 -141.3379 -104.4396 558728.7312 -8.0183 -8.0133 PRESSURE: 4367800 84.8783 -0.355563 -43.0327 -0.353914 -117.619 -147.19 -43.032 -147.19 -380.377 GPRESSURE: 4367800 107.746 9.6573 -40.6452 45.3611 -73.6244 -116.47 4.89914 -161.122 -351.072 PRESSAVG: 4367800 4.38713 -14.3929 5.1969 -14.3929 -39.2424 26.4631 5.19695 26.4631 -6.21013 GPRESSAVG: 4367800 4.67815 -13.8458 3.3621 -14.8886 -38.8572 26.612 6.1037 26.718 -7.13463 TIMING: 4367800 CPU: 12645, 0.00289157/step Wall: 12645, 0.00289157/step, 0.507792 hours remaining, 210.750000 MB of memory in use. ENERGY: 4367800 748.7209 2039.5746 1941.3819 101.8437 -205521.1629 17506.1204 0.0000 0.0000 34205.2782 -148978.2431 298.7232 -183183.5213 -148874.6950 299.0285 -137.7057 -105.6502 558853.1864 -13.6885 -13.7712 PRESSURE: 4368000 200.582 -68.2947 -70.0542 -68.2932 -70.4634 0.0402023 -70.0543 0.0413742 14.4713 GPRESSURE: 4368000 194.986 -67.3215 -73.1932 -94.0974 39.2842 -27.2258 -22.9062 -21.5387 25.0844 PRESSAVG: 4368000 -11.9496 -12.5544 -25.4595 -12.5543 37.8203 -30.4309 -25.4595 -30.4311 -41.913 GPRESSAVG: 4368000 -11.7728 -12.0941 -27.0972 -14.0023 37.9557 -29.0475 -25.3508 -33.9844 -41.7699 TIMING: 4368000 CPU: 12645.6, 0.00287734/step Wall: 12645.6, 0.00287734/step, 0.505133 hours remaining, 210.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4368000 744.6493 2083.8519 1927.8002 119.4685 -205978.9654 17895.9444 0.0000 0.0000 34302.8108 -148904.4403 299.5750 -183207.2511 -148812.7141 299.4602 48.1966 86.4514 557718.1567 -5.3474 -5.1957 PRESSURE: 4368200 -146.694 -34.1513 -122.715 -34.1519 -109.213 -15.6303 -122.714 -15.63 -78.5323 GPRESSURE: 4368200 -132.017 38.6827 -165.347 -55.2158 -61.8237 -52.8016 -177.523 -28.7523 -45.3145 PRESSAVG: 4368200 -6.74924 28.6341 -20.7829 28.634 -9.08644 6.63373 -20.7829 6.63378 51.2198 GPRESSAVG: 4368200 -6.94127 27.6755 -20.1698 28.8406 -10.6315 8.12999 -20.7925 7.8367 53.3327 TIMING: 4368200 CPU: 12646.2, 0.00286749/step Wall: 12646.2, 0.00286749/step, 0.503245 hours remaining, 210.750000 MB of memory in use. ENERGY: 4368200 733.7963 2081.4343 1948.3585 122.1328 -205594.8845 17546.6191 0.0000 0.0000 34291.8658 -148870.6777 299.4794 -183162.5435 -148778.3914 300.3550 -111.4798 -79.7185 559018.9544 11.7947 11.9199 LDB: ============= START OF LOAD BALANCING ============== 12649.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12649.6 LDB: =============== DONE WITH MIGRATION ================ 12649.6 LDB: ============= START OF LOAD BALANCING ============== 12649.8 LDB: Largest compute 4773 load 0.024533 is 20.8% of average load 0.117986 LDB: Average compute 0.001733 is 1.5% of average load 0.117986 LDB: TIME 12649.9 LOAD: AVG 0.117986 MAX 0.180236 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.355 MB LDB: TIME 12649.9 LOAD: AVG 0.117986 MAX 0.180236 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.418 MB LDB: TIME 12649.9 LOAD: AVG 0.117986 MAX 0.180236 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.418 MB LDB: ============== END OF LOAD BALANCING =============== 12649.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12649.9 PRESSURE: 4368400 -135.708 19.8163 -89.3984 19.8175 -85.4547 -30.9639 -89.3971 -30.9639 -223.212 GPRESSURE: 4368400 -162.368 58.8798 7.13018 -20.122 -49.5109 -102.752 -35.837 85.57 -142.665 PRESSAVG: 4368400 -15.5228 -8.20828 13.4909 -8.20831 -13.3011 -49.7037 13.4909 -49.7037 43.7078 GPRESSAVG: 4368400 -14.4985 -8.62261 14.9159 -6.77427 -13.056 -48.8834 13.0198 -47.3637 42.5125 TIMING: 4368400 CPU: 12646.8, 0.00292258/step Wall: 12646.8, 0.00292258/step, 0.512751 hours remaining, 209.128906 MB of memory in use. ENERGY: 4368400 732.5734 2105.7994 1936.5939 109.8447 -205632.5009 17479.5504 0.0000 0.0000 34411.9819 -148856.1573 300.5284 -183268.1392 -148761.2912 299.7768 -148.1250 -118.1812 558509.9055 4.9613 4.9860 PRESSURE: 4368600 5.17529 -14.1225 -52.9619 -14.1218 -186.027 -134.045 -52.9619 -134.045 -65.8622 GPRESSURE: 4368600 66.165 44.6769 -36.7974 -106.631 -118.395 -143.164 36.9109 -103.721 -93.2249 PRESSAVG: 4368600 31.5046 8.68039 20.178 8.68032 -17.1323 18.4068 20.178 18.4068 3.73661 GPRESSAVG: 4368600 31.3636 8.89876 18.9958 10.8092 -16.6742 15.9175 19.6445 16.644 4.45593 TIMING: 4368600 CPU: 12647.3, 0.00286831/step Wall: 12647.3, 0.00286831/step, 0.503069 hours remaining, 209.332031 MB of memory in use. ENERGY: 4368600 754.0735 2090.0072 1945.1832 112.8491 -205673.7237 17729.6187 0.0000 0.0000 34274.6169 -148767.3752 299.3288 -183041.9920 -148668.8430 300.6266 -82.2380 -48.4850 559370.4402 6.0363 6.3818 PRESSURE: 4368800 -39.1522 28.9686 120.587 28.9689 60.8859 -158.316 120.587 -158.317 139.01 GPRESSURE: 4368800 5.16278 39.4919 151.234 -4.62198 87.6356 -121.089 6.89692 -126.671 169.813 PRESSAVG: 4368800 -20.1672 -42.2505 0.444919 -42.2506 8.30376 5.17829 0.444951 5.17811 40.0532 GPRESSAVG: 4368800 -20.6058 -40.9706 -0.485633 -44.3895 9.13569 8.90838 0.450856 1.69214 39.873 TIMING: 4368800 CPU: 12647.9, 0.00286454/step Wall: 12647.9, 0.00286454/step, 0.50225 hours remaining, 209.332031 MB of memory in use. ENERGY: 4368800 695.1023 2110.0424 1947.9787 116.0568 -205933.4357 17755.6239 0.0000 0.0000 34521.6057 -148787.0259 301.4858 -183308.6316 -148678.9073 300.6642 53.5813 87.5370 559654.3786 9.3966 9.4676 PRESSURE: 4369000 88.7405 103.156 61.2851 103.154 -189.354 -36.431 61.2845 -36.4293 104.704 GPRESSURE: 4369000 193.848 165.371 74.1732 109.76 -192.384 -125.66 -13.5116 61.9653 96.7244 PRESSAVG: 4369000 -5.98572 5.61163 -5.39915 5.61166 27.9839 1.16435 -5.39914 1.1643 -9.06157 GPRESSAVG: 4369000 -4.09097 6.04871 -0.915973 5.15602 26.129 -2.14455 -6.45477 5.24533 -8.99632 TIMING: 4369000 CPU: 12648.5, 0.0028629/step Wall: 12648.5, 0.0028629/step, 0.501803 hours remaining, 209.332031 MB of memory in use. ENERGY: 4369000 707.6854 2126.1908 1942.9509 120.2500 -206083.0001 17906.2083 0.0000 0.0000 34367.3476 -148912.3671 300.1386 -183279.7147 -148808.8513 300.3116 1.3636 32.7296 559996.1538 4.3122 4.3472 PRESSURE: 4369200 85.4457 -171.195 -78.0114 -171.196 -74.1492 -101.239 -78.012 -101.237 -139.663 GPRESSURE: 4369200 75.656 -262.101 -73.914 -63.114 -56.4912 -122.504 -68.8426 -38.7546 -61.934 PRESSAVG: 4369200 -1.80266 0.373168 45.548 0.373109 26.5852 -1.89191 45.5479 -1.89191 -18.4613 GPRESSAVG: 4369200 -3.33873 -1.04127 41.4336 0.898622 26.756 -0.559236 47.5849 -2.52 -17.8191 TIMING: 4369200 CPU: 12649.1, 0.00284784/step Wall: 12649.1, 0.00284784/step, 0.499005 hours remaining, 209.332031 MB of memory in use. ENERGY: 4369200 725.3774 2132.8406 1974.2893 117.4853 -205918.9969 17738.0373 0.0000 0.0000 34242.9398 -148988.0272 299.0521 -183230.9670 -148895.0363 299.8631 -42.7889 -14.2564 559276.3155 2.1071 1.8661 PRESSURE: 4369400 121.102 109.152 127.497 109.151 -462.67 32.5131 127.498 32.5134 87.0258 GPRESSURE: 4369400 147.462 135.718 125.796 76.6405 -412.501 -53.7879 64.9722 60.6293 99.3739 PRESSAVG: 4369400 -1.95645 17.0675 -41.1224 17.0676 -37.4088 -46.8734 -41.1224 -46.8735 34.7229 GPRESSAVG: 4369400 -0.929573 17.6191 -39.7077 17.7211 -37.913 -48.4577 -41.4661 -47.4097 34.1723 TIMING: 4369400 CPU: 12649.6, 0.00284194/step Wall: 12649.6, 0.00284194/step, 0.497813 hours remaining, 209.332031 MB of memory in use. ENERGY: 4369400 781.8846 2072.6420 1929.2704 111.9676 -206413.4397 17902.9921 0.0000 0.0000 34396.0263 -149218.6567 300.3891 -183614.6830 -149118.6659 299.6164 -84.8476 -55.2216 557401.2586 -1.5474 -1.5568 PRESSURE: 4369600 142.501 66.9454 162.22 66.9454 -41.0959 109.343 162.219 109.342 -64.9508 GPRESSURE: 4369600 155.607 78.9645 106.38 72.3497 29.97 136.706 167.079 40.5974 -53.477 PRESSAVG: 4369600 -18.6202 -27.8967 29.761 -27.8966 -48.7549 33.4223 29.761 33.4223 48.9573 GPRESSAVG: 4369600 -18.5392 -26.4578 29.2837 -28.7076 -47.4427 33.6147 30.9885 33.8237 48.1143 TIMING: 4369600 CPU: 12650.2, 0.00285212/step Wall: 12650.2, 0.00285211/step, 0.499437 hours remaining, 209.332031 MB of memory in use. ENERGY: 4369600 754.2294 2139.3039 1931.0546 122.0378 -206465.0888 17985.0834 0.0000 0.0000 34277.6627 -149255.7171 299.3554 -183533.3798 -149158.0707 299.2658 12.1514 44.0332 557831.8831 -6.1393 -5.9559 PRESSURE: 4369800 -176.126 114.226 101.046 114.226 -230.206 38.744 101.046 38.7423 -119.511 GPRESSURE: 4369800 -150.185 41.3249 59.4886 102.895 -198.468 129.87 164.949 -52.7066 -89.0238 PRESSAVG: 4369800 3.92143 29.1093 -8.29763 29.1091 -46.0429 -12.6822 -8.29769 -12.6821 3.15604 GPRESSAVG: 4369800 2.5335 27.6759 -8.58272 30.7848 -46.6463 -12.4988 -10.1172 -13.387 4.69677 TIMING: 4369800 CPU: 12650.8, 0.00285072/step Wall: 12650.8, 0.00285072/step, 0.499034 hours remaining, 209.332031 MB of memory in use. ENERGY: 4369800 773.5355 2087.0889 1953.8394 111.9655 -206086.5665 17700.0695 0.0000 0.0000 34186.0603 -149274.0076 298.5554 -183460.0679 -149184.2553 299.3084 -175.2813 -145.8924 557511.4411 -12.9885 -13.1387 PRESSURE: 4370000 -284.981 -46.4005 10.7569 -46.4008 -210.206 -13.9339 10.7573 -13.9347 -15.0513 GPRESSURE: 4370000 -219.295 -20.6875 50.6837 -54.9159 -193.864 -97.2829 5.1366 75.7575 -8.12747 PRESSAVG: 4370000 37.7323 4.37576 -32.6997 4.37574 -6.14577 0.0820789 -32.6997 0.0820539 -17.8683 GPRESSAVG: 4370000 38.2893 4.34006 -33.12 1.85797 -6.27403 -0.51255 -31.5391 1.21574 -17.7672 TIMING: 4370000 CPU: 12651.3, 0.00286347/step Wall: 12651.3, 0.00286347/step, 0.501107 hours remaining, 209.332031 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: 4370000 741.9023 2113.7093 1926.3172 126.4590 -205893.8198 17606.2324 0.0000 0.0000 34115.7430 -149263.4568 297.9413 -183379.1998 -149164.9156 299.2481 -170.0793 -140.4288 558330.7082 4.5728 4.7494 PRESSURE: 4370200 -90.8015 -122.976 6.94116 -122.976 -170.049 -162.831 6.93978 -162.831 -11.2221 GPRESSURE: 4370200 -74.3032 -145.067 -27.9623 -166.834 -78.754 -133.46 50.7384 -142.003 -9.54792 PRESSAVG: 4370200 24.9433 -16.663 25.6434 -16.663 -40.2621 -29.2603 25.6434 -29.2603 -16.4662 GPRESSAVG: 4370200 24.7328 -18.8629 27.7849 -15.0593 -39.5458 -27.9649 22.7896 -31.7192 -17.1302 TIMING: 4370200 CPU: 12651.9, 0.00287454/step Wall: 12651.9, 0.00287454/step, 0.502885 hours remaining, 209.332031 MB of memory in use. ENERGY: 4370200 732.4098 2092.3091 1942.5307 110.8690 -206215.2269 17784.2974 0.0000 0.0000 34284.9025 -149267.9085 299.4186 -183552.8109 -149168.2034 298.8487 -90.6911 -54.2017 557724.0061 -10.5950 -10.6477 PRESSURE: 4370400 -120.787 151.641 5.91103 151.641 -64.3101 -32.6998 5.9105 -32.6986 -141.376 GPRESSURE: 4370400 -140.702 93.1065 -92.1035 212.013 42.5453 -67.8317 55.7787 -22.6689 -123.564 PRESSAVG: 4370400 -53.345 47.5018 52.1855 47.5019 -20.8463 -31.5064 52.1855 -31.5063 29.6932 GPRESSAVG: 4370400 -52.8892 49.4103 51.6794 47.9251 -21.39 -33.0093 54.3245 -28.3438 29.8511 TIMING: 4370400 CPU: 12652.5, 0.00285701/step Wall: 12652.5, 0.00285701/step, 0.49966 hours remaining, 209.332031 MB of memory in use. ENERGY: 4370400 709.3423 2109.6882 1924.9506 137.8123 -206071.1777 17727.5702 0.0000 0.0000 34104.9699 -149356.8442 297.8472 -183461.8141 -149264.0420 298.3016 -108.8245 -73.9069 558839.0324 -14.8327 -14.8094 PRESSURE: 4370600 -301.845 8.96477 4.41858 8.96546 -304.439 -110.111 4.41967 -110.109 18.725 GPRESSURE: 4370600 -245.132 -92.283 33.2536 50.9148 -278.897 -91.404 -18.2357 -48.2748 22.7992 PRESSAVG: 4370600 28.4917 23.9385 -32.5156 23.9384 28.2268 -18.3299 -32.5156 -18.3299 -42.4617 GPRESSAVG: 4370600 27.5581 24.462 -32.7368 22.9422 29.2672 -17.5275 -33.6955 -20.3437 -42.9696 TIMING: 4370600 CPU: 12653.1, 0.00285911/step Wall: 12653.1, 0.00285911/step, 0.499868 hours remaining, 209.332031 MB of memory in use. ENERGY: 4370600 737.2159 2087.0780 1926.4663 107.6871 -206448.8999 17601.9426 0.0000 0.0000 34553.7261 -149434.7838 301.7663 -183988.5099 -149334.3762 298.5135 -195.8529 -167.0764 557926.5194 4.7523 4.6186 PRESSURE: 4370800 -147.366 -60.1939 90.9016 -60.1944 -222.914 -135.53 90.9019 -135.53 -205.616 GPRESSURE: 4370800 -151.81 27.6618 143.28 -107.879 -151.497 -195.963 51.8397 -54.5803 -180.369 PRESSAVG: 4370800 13.6873 5.64623 -4.06571 5.64616 36.7446 -23.1806 -4.06584 -23.1806 -33.1538 GPRESSAVG: 4370800 14.1044 7.74067 -5.11346 5.97929 35.9134 -22.075 -3.11516 -24.4186 -31.8423 TIMING: 4370800 CPU: 12653.6, 0.0028771/step Wall: 12653.6, 0.0028771/step, 0.502853 hours remaining, 209.332031 MB of memory in use. ENERGY: 4370800 749.0667 2079.2864 1911.4978 108.8518 -206314.7570 17487.9310 0.0000 0.0000 34426.8180 -149551.3053 300.6580 -183978.1234 -149451.3546 298.9776 -191.9654 -161.2254 556763.7698 5.7594 6.0585 PRESSURE: 4371000 -461.135 -174.245 225.347 -174.244 -286.867 113.677 225.347 113.676 1.08473 GPRESSURE: 4371000 -398.418 -202.011 194.793 -223.218 -271.931 170.267 171.833 71.2516 29.8212 PRESSAVG: 4371000 -5.9627 -24.7087 73.3086 -24.7087 -26.1705 53.8665 73.3087 53.8664 78.5219 GPRESSAVG: 4371000 -5.46605 -25.1683 73.6719 -26.7269 -25.8904 52.5991 73.4603 55.2602 77.6767 TIMING: 4371000 CPU: 12654.2, 0.00285689/step Wall: 12654.2, 0.00285689/step, 0.499163 hours remaining, 209.332031 MB of memory in use. ENERGY: 4371000 718.0803 2130.0855 1926.4477 111.4521 -205888.9278 17567.0883 0.0000 0.0000 34065.7173 -149370.0567 297.5044 -183435.7740 -149275.0008 298.5345 -248.9722 -213.5092 558502.7313 15.4629 15.4401 PRESSURE: 4371200 -75.6046 53.5787 34.0651 53.5778 90.7489 -26.8535 34.0655 -26.8516 -332.434 GPRESSURE: 4371200 -6.26183 -7.55221 -7.61311 38.9636 104.24 -62.4743 -5.2861 -1.7195 -305.849 PRESSAVG: 4371200 38.3391 -57.141 -33.3432 -57.141 -2.60443 -1.96198 -33.3432 -1.96197 -3.253 GPRESSAVG: 4371200 38.0332 -59.049 -34.3072 -55.6216 -3.39798 -1.55794 -33.2955 -0.9919 -2.56554 TIMING: 4371200 CPU: 12654.8, 0.00286059/step Wall: 12654.8, 0.00286059/step, 0.49965 hours remaining, 209.332031 MB of memory in use. ENERGY: 4371200 739.5806 2107.6208 1903.2572 109.1811 -206289.9927 17854.3014 0.0000 0.0000 34184.7589 -149391.2927 298.5440 -183576.0515 -149296.4191 298.8432 -105.7634 -69.2901 558477.1912 10.8272 10.6899 PRESSURE: 4371400 -95.7861 153.929 65.9692 153.929 -421.111 60.658 65.9685 60.6571 -242.581 GPRESSURE: 4371400 -116.473 173.029 -9.35271 147.938 -325.346 73.5143 77.2175 -1.77986 -227.416 PRESSAVG: 4371400 -7.78167 46.7547 11.7455 46.7548 7.92636 31.2307 11.7455 31.2307 -10.7535 GPRESSAVG: 4371400 -8.2607 47.6248 11.5906 46.1581 8.40418 32.2986 11.1766 30.4347 -10.3381 TIMING: 4371400 CPU: 12655.3, 0.00286075/step Wall: 12655.3, 0.00286075/step, 0.499519 hours remaining, 209.332031 MB of memory in use. ENERGY: 4371400 745.5281 2059.0336 1954.7043 114.3568 -206120.0557 17502.7357 0.0000 0.0000 34148.3370 -149595.3603 298.2259 -183743.6973 -149499.1859 298.0584 -253.1594 -223.0783 557426.1436 -3.5363 -3.3982 PRESSURE: 4371600 -90.0288 11.0008 -129.225 11.0018 -162.79 -194.341 -129.224 -194.34 162.115 GPRESSURE: 4371600 -16.4355 -66.6422 -40.9941 103.58 -164.02 -172.665 -172.465 -172.144 205.508 PRESSAVG: 4371600 -16.8922 -14.9206 16.1092 -14.9205 94.1451 -35.6317 16.1092 -35.6319 -47.0027 GPRESSAVG: 4371600 -16.6306 -17.2422 16.6158 -13.7912 94.5728 -36.582 17.833 -36.012 -47.924 TIMING: 4371600 CPU: 12655.9, 0.00285683/step Wall: 12655.9, 0.00285683/step, 0.498676 hours remaining, 209.332031 MB of memory in use. ENERGY: 4371600 733.1311 2068.0479 1948.0590 105.7396 -206488.8798 17824.2094 0.0000 0.0000 34191.8864 -149617.8064 298.6062 -183809.6928 -149519.2115 298.1113 -30.2346 8.3508 557575.2536 10.0834 10.0061 PRESSURE: 4371800 12.0777 -209.031 120.067 -209.033 31.9229 -8.85887 120.066 -8.85841 -72.7903 GPRESSURE: 4371800 16.9869 -195.862 119.54 -244.494 49.944 -33.2652 56.9324 25.3537 -9.72366 PRESSAVG: 4371800 -5.68704 -59.7488 -6.82354 -59.7488 17.092 -5.40278 -6.82358 -5.40284 -4.46244 GPRESSAVG: 4371800 -5.56114 -56.3974 -8.04996 -61.0633 15.846 -6.23552 -6.72444 -4.83808 -3.13575 TIMING: 4371800 CPU: 12656.5, 0.00286354/step Wall: 12656.5, 0.00286354/step, 0.499687 hours remaining, 209.332031 MB of memory in use. ENERGY: 4371800 721.0308 2056.5372 1933.8218 111.2635 -206414.9439 17790.4919 0.0000 0.0000 34130.1901 -149671.6086 298.0674 -183801.7987 -149573.1148 298.3862 -9.5966 19.0691 556692.9509 2.3142 2.3830 PRESSURE: 4372000 120.223 103.362 -16.996 103.363 -288.531 105.821 -16.9965 105.821 38.899 GPRESSURE: 4372000 200.889 59.9739 6.08415 137.992 -272.918 180 27.7366 105.512 44.1281 PRESSAVG: 4372000 32.7301 23.6616 -16.6361 23.6615 -46.9931 -13.2676 -16.6362 -13.2677 22.7327 GPRESSAVG: 4372000 32.3076 21.1777 -13.6199 25.0621 -46.4449 -12.1073 -18.8218 -12.7562 22.7484 TIMING: 4372000 CPU: 12657.1, 0.00287676/step Wall: 12657.1, 0.00287676/step, 0.501834 hours remaining, 209.332031 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: 4372000 752.9615 2022.0794 1937.3110 124.7520 -206585.5461 17780.4716 0.0000 0.0000 34228.0102 -149739.9604 298.9217 -183967.9706 -149637.2438 298.3578 -43.1364 -9.3003 556376.9213 2.8232 2.8704 PRESSURE: 4372200 -330.741 -65.6436 17.8984 -65.6446 -84.4528 9.55652 17.8981 9.55692 -197.809 GPRESSURE: 4372200 -307.836 -85.0463 71.6429 -20.0474 -48.2973 40.3365 8.95211 -36.4817 -144.793 PRESSAVG: 4372200 -20.2844 -51.1447 40.2027 -51.1448 1.24648 -34.4518 40.2028 -34.452 -51.8216 GPRESSAVG: 4372200 -18.7545 -49.5968 39.6881 -52.4368 0.266576 -34.9149 41.7786 -34.4538 -52.2762 TIMING: 4372200 CPU: 12657.6, 0.0028614/step Wall: 12657.6, 0.0028614/step, 0.498996 hours remaining, 209.332031 MB of memory in use. ENERGY: 4372200 750.7208 2042.9548 1933.4938 125.1399 -206335.1452 17692.2773 0.0000 0.0000 33956.5654 -149833.9932 296.5511 -183790.5586 -149740.9191 297.3496 -204.3341 -166.9755 556643.2501 -23.6198 -23.5881 LDB: ============= START OF LOAD BALANCING ============== 12661 LDB: ============== END OF LOAD BALANCING =============== 12661 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12661 LDB: ============= START OF LOAD BALANCING ============== 12661.3 LDB: Largest compute 4773 load 0.025992 is 22.0% of average load 0.118002 LDB: Average compute 0.001736 is 1.5% of average load 0.118002 LDB: TIME 12661.3 LOAD: AVG 0.118002 MAX 0.17867 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.148 MB LDB: TIME 12661.3 LOAD: AVG 0.118002 MAX 0.17867 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.156 MB LDB: TIME 12661.3 LOAD: AVG 0.118002 MAX 0.17867 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12661.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12661.3 PRESSURE: 4372400 156.296 33.303 175.973 33.3037 70.5934 -50.7651 175.973 -50.7664 48.1695 GPRESSURE: 4372400 224.892 11.341 178.08 -0.332914 75.7467 -86.0671 95.3819 -36.8961 73.3887 PRESSAVG: 4372400 34.6635 -27.6411 -28.0255 -27.6411 -36.9843 59.3345 -28.0254 59.3343 23.7588 GPRESSAVG: 4372400 33.9833 -27.5782 -26.9006 -26.4559 -35.6627 60.221 -28.5027 57.1355 23.8654 TIMING: 4372400 CPU: 12658.2, 0.00293057/step Wall: 12658.2, 0.00293057/step, 0.510896 hours remaining, 210.355469 MB of memory in use. ENERGY: 4372400 751.5752 2005.4660 1928.9705 114.7466 -206774.3503 18094.6881 0.0000 0.0000 34219.3010 -149659.6029 298.8457 -183878.9038 -149564.5837 297.2062 91.6863 124.6758 555732.3782 7.1460 7.3953 PRESSURE: 4372600 161.985 -66.0154 -11.5764 -66.0149 235.579 20.0938 -11.5767 20.0936 183.835 GPRESSURE: 4372600 198.901 -20.4694 7.9321 -39.9987 252.072 -52.8166 -48.0663 97.1451 232.582 PRESSAVG: 4372600 -63.8785 -14.4775 49.8357 -14.4775 74.2181 -6.85785 49.8356 -6.8579 15.3347 GPRESSAVG: 4372600 -63.7003 -16.3789 48.6328 -16.6044 74.2067 -7.49548 50.2416 -7.08239 15.7314 TIMING: 4372600 CPU: 12658.8, 0.00287692/step Wall: 12658.8, 0.00287692/step, 0.501384 hours remaining, 210.761719 MB of memory in use. ENERGY: 4372600 755.8371 2125.5626 1923.2250 112.7828 -206696.8870 18073.2220 0.0000 0.0000 34195.0179 -149511.2396 298.6336 -183706.2575 -149413.9967 297.8301 193.7996 227.8518 554586.3854 8.5581 8.7459 PRESSURE: 4372800 173.459 -60.0471 -39.6883 -60.0465 -142.737 92.1733 -39.6895 92.1724 157.053 GPRESSURE: 4372800 161.278 -84.6218 17.736 -42.3053 -66.0773 94.6471 -101.645 35.7417 190.929 PRESSAVG: 4372800 -52.3949 -39.9182 12.4983 -39.9182 19.1966 -30.8538 12.4983 -30.8539 11.7769 GPRESSAVG: 4372800 -50.8241 -38.4402 10.2482 -38.3476 18.0793 -31.8454 13.7933 -30.3418 10.9603 TIMING: 4372800 CPU: 12659.4, 0.00288064/step Wall: 12659.4, 0.00288064/step, 0.501871 hours remaining, 210.761719 MB of memory in use. ENERGY: 4372800 739.9990 2082.0815 1925.4985 109.5371 -206809.0342 18053.8100 0.0000 0.0000 34255.9204 -149642.1876 299.1655 -183898.1080 -149539.6683 298.5470 62.5915 95.3764 556987.6215 -7.1405 -7.2615 PRESSURE: 4373000 160.205 -211.9 -144.157 -211.9 -122.959 -34.5701 -144.157 -34.5708 -251.8 GPRESSURE: 4373000 162.158 -220.934 -188.105 -154.363 -61.5987 -30.4036 -125.772 -14.1542 -212.503 PRESSAVG: 4373000 -1.31654 -7.74982 -64.9112 -7.74984 2.91204 50.4798 -64.9112 50.4798 9.30363 GPRESSAVG: 4373000 -3.38804 -9.57145 -62.9742 -6.65468 3.69266 48.9442 -68.3655 51.3451 10.1381 TIMING: 4373000 CPU: 12659.9, 0.00288603/step Wall: 12659.9, 0.00288603/step, 0.50265 hours remaining, 210.761719 MB of memory in use. ENERGY: 4373000 731.9915 2122.3266 1926.0688 126.7408 -206298.6364 17651.5154 0.0000 0.0000 34398.6538 -149341.3393 300.4120 -183739.9931 -149249.7347 298.8947 -71.5178 -37.3147 556979.6621 3.6330 3.4809 PRESSURE: 4373200 336.516 -29.4776 172.796 -29.4756 -30.9611 57.3961 172.795 57.3967 1.43412 GPRESSURE: 4373200 421.588 -27.1045 180.539 -108.995 -5.45583 178.322 93.1987 -5.48394 -6.95212 PRESSAVG: 4373200 89.2275 29.3193 -3.27092 29.3193 -24.1024 -19.1515 -3.27097 -19.1514 -1.16986 GPRESSAVG: 4373200 90.3375 30.763 -1.75678 28.9266 -23.754 -19.4113 -1.29557 -18.3833 -2.40882 TIMING: 4373200 CPU: 12660.5, 0.00290414/step Wall: 12660.5, 0.00290414/step, 0.505642 hours remaining, 210.761719 MB of memory in use. ENERGY: 4373200 722.3763 2052.0594 1934.8308 104.5196 -206370.9526 17939.0947 0.0000 0.0000 34271.3096 -149346.7621 299.2999 -183618.0718 -149250.9767 298.9760 102.3298 136.3933 557963.1217 21.3184 21.3916 PRESSURE: 4373400 -64.8702 -60.2986 -15.5631 -60.2981 -156.245 71.8638 -15.5639 71.8634 -68.247 GPRESSURE: 4373400 -37.73 -37.5056 18.2115 -86.2251 -136.369 112.169 -70.1644 44.0404 -5.07524 PRESSAVG: 4373400 15.5437 2.9077 39.5324 2.90764 -30.2367 47.6154 39.5324 47.6154 10.4852 GPRESSAVG: 4373400 15.9168 3.40753 37.4103 0.99236 -31.3015 50.7603 39.8818 47.1096 10.8617 TIMING: 4373400 CPU: 12661.1, 0.00288952/step Wall: 12661.1, 0.00288952/step, 0.502937 hours remaining, 210.761719 MB of memory in use. ENERGY: 4373400 741.7700 2036.7922 1937.9914 116.9051 -206150.3347 17606.7417 0.0000 0.0000 34192.4503 -149517.6840 298.6112 -183710.1343 -149423.6611 298.7416 -96.4542 -59.7248 557552.2983 -1.4026 -1.5077 PRESSURE: 4373600 190.612 31.9618 -77.8683 31.9608 47.9192 -24.8362 -77.868 -24.8359 -127.54 GPRESSURE: 4373600 226.433 124.049 49.6794 9.2201 91.1809 -129.418 -213.944 -39.6753 -93.4952 PRESSAVG: 4373600 -21.3181 -18.0022 27.8748 -18.0023 15.3072 4.92133 27.8748 4.92144 10.4522 GPRESSAVG: 4373600 -21.2432 -19.0365 28.7882 -15.844 16.5647 3.23647 27.9636 3.96023 9.25856 TIMING: 4373600 CPU: 12661.7, 0.00288925/step Wall: 12661.7, 0.00288925/step, 0.502729 hours remaining, 210.761719 MB of memory in use. ENERGY: 4373600 709.9634 2031.2089 1926.6566 116.1552 -206709.8720 18040.7014 0.0000 0.0000 34370.4571 -149514.7294 300.1658 -183885.1865 -149415.4365 298.6729 36.9969 74.7063 557510.1909 1.4804 1.5267 PRESSURE: 4373800 -403.261 93.5509 -5.09671 93.5508 -123.756 14.7222 -5.0974 14.7209 317.217 GPRESSURE: 4373800 -342.826 131.865 9.73238 28.4794 -56.9119 49.2472 -24.0708 -29.9639 280.102 PRESSAVG: 4373800 -18.8363 44.1452 31.4201 44.1453 19.8581 6.65049 31.4202 6.65046 42.0691 GPRESSAVG: 4373800 -18.8208 45.7828 31.4559 42.3341 19.4518 7.39846 30.7177 5.47646 42.716 TIMING: 4373800 CPU: 12662.3, 0.00290548/step Wall: 12662.3, 0.00290548/step, 0.505392 hours remaining, 210.761719 MB of memory in use. ENERGY: 4373800 774.1681 2071.9830 1935.8695 112.0410 -206457.4341 17786.2686 0.0000 0.0000 34312.5769 -149464.5269 299.6603 -183777.1038 -149374.3071 299.0814 -69.9335 -39.8785 557729.2661 14.3636 14.4490 PRESSURE: 4374000 23.5964 -39.9088 -38.2948 -39.9089 224.063 73.2531 -38.2941 73.2529 152.319 GPRESSURE: 4374000 44.6595 76.2561 -126.713 -123.645 282.156 -15.8543 -29.2185 79.1637 168.067 PRESSAVG: 4374000 -79.6926 -25.9649 -40.4668 -25.9649 72.9701 -22.2143 -40.4668 -22.2142 -10.0927 GPRESSAVG: 4374000 -78.7081 -26.1811 -41.2962 -26.4389 71.9798 -23.3886 -40.1244 -20.581 -9.99019 TIMING: 4374000 CPU: 12662.8, 0.00287606/step Wall: 12662.8, 0.00287606/step, 0.500115 hours remaining, 210.761719 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: 4374000 716.8774 2065.6341 1942.3300 122.1115 -206559.4084 18119.8203 0.0000 0.0000 34036.7371 -149555.8978 297.2513 -183592.6350 -149461.4589 299.0066 133.3259 164.9609 557026.1989 -5.6051 -5.5728 PRESSURE: 4374200 -76.6588 50.5067 283.933 50.5063 41.0547 -13.3002 283.933 -13.3015 91.8113 GPRESSURE: 4374200 -73.6166 44.853 327.633 85.2866 90.8049 -35.89 209.494 -10.8675 130.608 PRESSAVG: 4374200 3.82393 -19.3227 50.5587 -19.3226 -15.2468 -19.8509 50.5586 -19.8509 15.3388 GPRESSAVG: 4374200 2.27436 -22.1283 51.554 -15.5788 -13.324 -19.8205 50.1823 -20.4072 14.7685 TIMING: 4374200 CPU: 12663.4, 0.00288323/step Wall: 12663.4, 0.00288323/step, 0.501201 hours remaining, 210.761719 MB of memory in use. ENERGY: 4374200 714.9622 2055.7342 1925.4591 85.9027 -206099.9447 17755.5914 0.0000 0.0000 34064.1083 -149498.1868 297.4903 -183562.2951 -149405.0319 298.2765 18.7357 49.2655 557576.2112 1.3053 1.2396 PRESSURE: 4374400 -68.0513 65.5865 -94.406 65.5869 -33.4801 13.4196 -94.4049 13.4207 -80.398 GPRESSURE: 4374400 -6.85878 157.484 -44.783 110.709 -24.9064 69.0027 -173.767 1.80012 -66.9756 PRESSAVG: 4374400 -3.42163 -7.25045 39.3913 -7.25031 -23.028 7.53693 39.3913 7.53695 -2.98449 GPRESSAVG: 4374400 -2.66674 -6.94538 36.1685 -9.0486 -23.524 6.56375 40.055 7.85159 -3.42271 TIMING: 4374400 CPU: 12664, 0.00288128/step Wall: 12664, 0.00288128/step, 0.500703 hours remaining, 210.761719 MB of memory in use. ENERGY: 4374400 763.1376 2052.2346 1939.7016 113.7731 -206702.1283 17901.4916 0.0000 0.0000 34436.9205 -149494.8693 300.7462 -183931.7898 -149406.1927 298.1693 -60.6431 -32.9136 558000.9886 -9.8114 -9.8711 PRESSURE: 4374600 -230.51 65.6018 -155.35 65.6024 -140.768 -36.4394 -155.349 -36.4393 -182.714 GPRESSURE: 4374600 -215.336 -8.30109 -225.427 38.2856 -77.856 -86.8282 -104.099 -5.16038 -150.398 PRESSAVG: 4374600 13.6741 -19.2913 2.66028 -19.2913 45.5235 6.49263 2.66027 6.49265 -24.0583 GPRESSAVG: 4374600 13.5749 -17.8669 2.66702 -19.6043 45.3986 6.57345 2.82588 5.47406 -23.7295 TIMING: 4374600 CPU: 12664.6, 0.00289614/step Wall: 12664.6, 0.00289614/step, 0.503124 hours remaining, 210.761719 MB of memory in use. ENERGY: 4374600 743.7136 2085.4259 1915.4997 105.4555 -205917.3945 17406.4506 0.0000 0.0000 34114.3976 -149546.4515 297.9295 -183660.8491 -149457.4182 298.3253 -184.6640 -147.8633 555006.8600 11.7131 11.7480 PRESSURE: 4374800 5.8475 -79.4577 110.13 -79.4568 -9.66499 -6.32368 110.13 -6.32251 -77.4909 GPRESSURE: 4374800 -59.8562 -132.553 101.508 -31.8582 98.7049 64.9565 113.04 -18.01 -19.7763 PRESSAVG: 4374800 4.39891 18.6584 60.3892 18.6583 26.6733 21.1724 60.3891 21.1724 -25.7054 GPRESSAVG: 4374800 3.76533 19.5634 62.0697 18.5702 27.8274 21.681 59.1695 22.6537 -25.9317 TIMING: 4374800 CPU: 12665.2, 0.00288576/step Wall: 12665.2, 0.00288576/step, 0.50116 hours remaining, 210.761719 MB of memory in use. ENERGY: 4374800 733.1551 2084.9929 1949.3301 119.3171 -206601.4069 17893.8304 0.0000 0.0000 34176.0405 -149644.7409 298.4679 -183820.7814 -149546.8582 298.7159 -27.1028 6.3575 556278.9913 1.7889 1.8870 PRESSURE: 4375000 -13.3525 82.6832 79.9675 82.683 -268.997 -55.703 79.9685 -55.704 -7.51866 GPRESSURE: 4375000 1.31263 101.05 17.8271 149.664 -252.599 -139.526 78.2818 -93.0733 57.9403 PRESSAVG: 4375000 28.186 -4.80286 -0.750136 -4.80286 -25.5416 25.1454 -0.750106 25.1454 8.14066 GPRESSAVG: 4375000 29.4512 -7.33861 1.52292 -3.42027 -27.6554 25.7166 -0.474464 23.6438 9.11428 TIMING: 4375000 CPU: 12665.7, 0.00289942/step Wall: 12665.7, 0.00289942/step, 0.503372 hours remaining, 210.761719 MB of memory in use. ENERGY: 4375000 704.5923 2023.7208 1954.8324 112.5966 -205655.1826 17339.8615 0.0000 0.0000 33979.0449 -149540.5342 296.7474 -183519.5790 -149447.0161 298.2694 -96.6229 -64.4488 557270.7683 3.5950 3.6367 PRESSURE: 4375200 198.361 134.048 54.2483 134.047 6.64734 -62.7183 54.2503 -62.7172 55.5491 GPRESSURE: 4375200 202.458 74.7328 20.5409 171.153 83.5902 9.32544 53.6685 -25.05 73.0246 PRESSAVG: 4375200 18.6201 61.0742 24.354 61.0742 -48.9855 47.9551 24.3541 47.9552 25.4641 GPRESSAVG: 4375200 17.9506 60.9869 22.577 60.2774 -48.2751 49.2983 24.9583 49.7979 25.0297 TIMING: 4375200 CPU: 12666.3, 0.00289814/step Wall: 12666.3, 0.00289814/step, 0.502989 hours remaining, 210.761719 MB of memory in use. ENERGY: 4375200 710.9296 2054.1917 1912.8492 112.3894 -206661.3629 17986.4988 0.0000 0.0000 34233.6901 -149650.8141 298.9713 -183884.5042 -149551.0651 298.1229 86.8526 119.6910 556298.7072 -1.6338 -1.7649 PRESSURE: 4375400 -61.7613 -201.578 65.7156 -201.578 14.0293 -42.5102 65.7158 -42.5098 -173.533 GPRESSURE: 4375400 -39.4226 -172.781 42.4677 -252.352 81.1095 -35.794 73.7012 -62.3774 -164.133 PRESSAVG: 4375400 -13.1193 4.2162 -5.96701 4.21614 -9.13997 25.3453 -5.96694 25.3453 -30.398 GPRESSAVG: 4375400 -14.7177 5.6773 -7.27983 2.68948 -9.39775 23.6958 -2.5228 25.0169 -28.6957 TIMING: 4375400 CPU: 12666.9, 0.00287415/step Wall: 12666.9, 0.00287415/step, 0.498665 hours remaining, 210.761719 MB of memory in use. ENERGY: 4375400 720.4255 2096.4788 1938.3278 105.2644 -206352.7918 17779.0306 0.0000 0.0000 34059.5991 -149653.6656 297.4510 -183713.2647 -149553.6290 298.0297 -73.7548 -40.8153 556519.9940 -17.5524 -17.6037 PRESSURE: 4375600 184.82 48.7804 56.3638 48.7786 115.821 -158.589 56.3659 -158.591 168.978 GPRESSURE: 4375600 174.237 37.81 91.9642 68.3458 161.627 -114.773 -13.5951 -160.204 216.65 PRESSAVG: 4375600 19.2113 13.9187 11.0573 13.9187 59.052 72.8098 11.0573 72.8098 -8.835 GPRESSAVG: 4375600 19.5287 15.1846 12.2826 13.7594 60.4358 73.8245 8.91122 70.9853 -10.6285 TIMING: 4375600 CPU: 12667.5, 0.00288724/step Wall: 12667.5, 0.00288724/step, 0.500776 hours remaining, 210.761719 MB of memory in use. ENERGY: 4375600 719.6716 2059.8480 1969.7157 124.0592 -206796.5055 18112.9597 0.0000 0.0000 34187.1278 -149623.1235 298.5647 -183810.2513 -149520.4727 298.7263 156.5394 184.1713 556676.3172 23.1428 23.1120 PRESSURE: 4375800 -359.506 -92.3378 118.304 -92.3362 -276.218 -42.6735 118.304 -42.6726 -15.2064 GPRESSURE: 4375800 -320.54 -129.075 198.92 -55.1474 -292.544 -74.6817 121.526 -100.475 54.5285 PRESSAVG: 4375800 -71.8363 -25.4126 26.3189 -25.4125 34.6659 55.7729 26.319 55.7729 47.4794 GPRESSAVG: 4375800 -72.1718 -25.9075 28.864 -24.2994 33.5103 54.5928 25.22 56.1066 48.7675 TIMING: 4375800 CPU: 12668, 0.00288362/step Wall: 12668, 0.00288362/step, 0.499988 hours remaining, 210.761719 MB of memory in use. ENERGY: 4375800 750.9886 2108.6966 1915.8411 107.0738 -206111.0667 17681.2813 0.0000 0.0000 33992.8338 -149554.3514 296.8679 -183547.1852 -149458.5686 298.4016 -216.9770 -186.1851 558788.1886 3.4363 3.3686 PRESSURE: 4376000 -106.437 -116.965 116.144 -116.965 -216.686 120.33 116.143 120.332 60.3303 GPRESSURE: 4376000 4.77376 -86.225 129.401 -167.376 -191.975 132.379 200.349 107.679 25.9449 PRESSAVG: 4376000 -10.6074 -19.6089 45.8786 -19.6088 -13.4862 22.8707 45.8786 22.8707 37.663 GPRESSAVG: 4376000 -9.99139 -19.6539 44.7803 -20.0075 -12.814 24.2091 44.782 23.326 35.8549 TIMING: 4376000 CPU: 12668.6, 0.00287301/step Wall: 12668.6, 0.00287301/step, 0.497988 hours remaining, 210.761719 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: 4376000 754.3512 2070.3429 1939.3729 113.6286 -206695.4816 17983.4855 0.0000 0.0000 34235.1955 -149599.1049 298.9845 -183834.3004 -149501.9631 298.2954 -87.5979 -53.7523 557640.6004 4.5231 4.3498 PRESSURE: 4376200 -237.833 73.4388 16.5153 73.4376 -73.3149 29.04 16.5159 29.0408 -98.9229 GPRESSURE: 4376200 -197.352 51.6099 -24.0326 80.1169 -80.6912 36.4159 24.4778 -54.297 -24.0371 PRESSAVG: 4376200 16.4181 -7.87641 -56.6247 -7.87649 0.751449 12.977 -56.6246 12.9771 -13.5466 GPRESSAVG: 4376200 15.3657 -8.42016 -57.8882 -6.78453 1.47571 11.7442 -55.1594 14.7503 -12.5535 TIMING: 4376200 CPU: 12669.2, 0.00287906/step Wall: 12669.2, 0.00287906/step, 0.498877 hours remaining, 210.761719 MB of memory in use. ENERGY: 4376200 746.2835 2081.2791 1949.7943 106.5257 -206356.1731 17734.3763 0.0000 0.0000 34245.1254 -149492.7888 299.0712 -183737.9142 -149396.1163 298.0661 -136.6903 -100.6935 558015.3011 1.2076 1.4293 LDB: ============= START OF LOAD BALANCING ============== 12672.6 LDB: ============== END OF LOAD BALANCING =============== 12672.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12672.6 LDB: ============= START OF LOAD BALANCING ============== 12672.9 LDB: Largest compute 4773 load 0.025044 is 21.2% of average load 0.118115 LDB: Average compute 0.001731 is 1.5% of average load 0.118115 LDB: TIME 12672.9 LOAD: AVG 0.118115 MAX 0.17639 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.613 MB LDB: TIME 12672.9 LOAD: AVG 0.118115 MAX 0.17639 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: TIME 12672.9 LOAD: AVG 0.118115 MAX 0.17639 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12672.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12672.9 PRESSURE: 4376400 -288.934 -23.2442 -24.1782 -23.2447 -127.525 -33.8328 -24.1785 -33.8345 -69.8316 GPRESSURE: 4376400 -207.712 -15.7201 -43.003 14.1267 -111.68 -111.665 27.8926 70.7761 -63.7832 PRESSAVG: 4376400 -45.8354 27.8841 13.124 27.8842 -87.0904 -1.6694 13.124 -1.66938 87.7743 GPRESSAVG: 4376400 -45.9473 26.4943 12.3503 28.8138 -87.2429 -2.31154 13.5445 -3.55712 87.5039 TIMING: 4376400 CPU: 12669.8, 0.00295511/step Wall: 12669.8, 0.00295511/step, 0.511891 hours remaining, 209.843750 MB of memory in use. ENERGY: 4376400 740.5096 2099.7524 1940.1410 107.8718 -206014.7085 17643.7642 0.0000 0.0000 34114.1160 -149368.5536 297.9271 -183482.6696 -149274.5419 298.3952 -162.0968 -127.7253 559285.1620 -15.0505 -15.2288 PRESSURE: 4376600 -164.255 27.5316 -14.2177 27.534 -95.7803 49.3252 -14.2174 49.3251 -188.046 GPRESSURE: 4376600 -108.806 29.5624 -17.7023 -21.4093 -90.4509 64.6317 -33.485 165.172 -164.853 PRESSAVG: 4376600 -14.7301 75.8906 -13.1839 75.8907 -9.11651 20.1552 -13.1838 20.1552 5.63189 GPRESSAVG: 4376600 -13.3963 76.0272 -13.1309 74.2847 -10.3665 20.1866 -12.7173 21.2415 5.7664 TIMING: 4376600 CPU: 12670.4, 0.00289988/step Wall: 12670.4, 0.00289988/step, 0.502163 hours remaining, 209.843750 MB of memory in use. ENERGY: 4376600 777.8390 2057.9336 1911.9713 116.9293 -206189.6726 17803.2631 0.0000 0.0000 33981.0439 -149540.6926 296.7649 -183521.7364 -149438.9535 298.3241 -149.3603 -121.3701 559549.1977 -6.0716 -5.9988 PRESSURE: 4376800 63.9508 -62.4311 -45.4162 -62.4321 211.77 -44.8625 -45.4158 -44.8627 -16.0151 GPRESSURE: 4376800 115.502 -56.8537 -47.5294 -8.06286 213.028 -132.869 -18.2934 -75.6518 31.4624 PRESSAVG: 4376800 -68.7508 40.7773 16.6017 40.7773 -22.6235 21.3481 16.6017 21.3479 64.4885 GPRESSAVG: 4376800 -69.3133 38.3277 18.7416 41.8505 -22.6634 21.7334 15.4945 21.699 65.6578 TIMING: 4376800 CPU: 12670.9, 0.00287932/step Wall: 12670.9, 0.00287932/step, 0.498443 hours remaining, 209.843750 MB of memory in use. ENERGY: 4376800 762.9248 2033.0721 1941.8070 118.9534 -206602.9357 18129.1075 0.0000 0.0000 34214.0805 -149402.9904 298.8001 -183617.0709 -149306.8442 299.0376 86.5686 119.9976 558321.4097 -8.9619 -8.7730 PRESSURE: 4377000 -145.487 -279.635 -33.6612 -279.635 -127.611 -151.422 -33.6614 -151.423 -26.3767 GPRESSURE: 4377000 -99.8898 -170.111 -31.9338 -320.833 -38.5161 -116.142 -45.3292 -169.717 -63.3172 PRESSAVG: 4377000 -0.211603 -39.9654 -7.31927 -39.9654 30.2755 -35.1045 -7.31929 -35.1045 -4.3199 GPRESSAVG: 4377000 0.881518 -37.6267 -8.34608 -39.6147 30.7626 -36.1411 -8.15424 -35.1169 -6.08369 TIMING: 4377000 CPU: 12671.5, 0.00287776/step Wall: 12671.5, 0.00287776/step, 0.498012 hours remaining, 209.843750 MB of memory in use. ENERGY: 4377000 741.2772 2062.6594 1955.6810 109.2295 -206077.5496 17783.0108 0.0000 0.0000 33989.1815 -149436.5102 296.8360 -183425.6917 -149339.7135 298.7039 -99.8249 -67.2410 559244.6926 8.5813 8.5201 PRESSURE: 4377200 60.3512 96.5967 73.594 96.5961 202.777 -120.072 73.5945 -120.072 61.9937 GPRESSURE: 4377200 85.7532 92.84 78.6145 138.743 259.546 -40.3974 96.7812 -153.701 82.9331 PRESSAVG: 4377200 -1.66377 4.97698 -12.1648 4.97693 -60.8941 -18.8142 -12.1648 -18.8143 58.3754 GPRESSAVG: 4377200 -2.36932 5.60089 -12.757 5.31956 -60.7185 -17.4011 -11.4011 -21.2381 59.3408 TIMING: 4377200 CPU: 12672.1, 0.00288596/step Wall: 12672.1, 0.00288596/step, 0.499271 hours remaining, 209.843750 MB of memory in use. ENERGY: 4377200 699.0124 2087.2028 1962.3528 110.2264 -206266.4779 17900.4110 0.0000 0.0000 34012.6854 -149494.5872 297.0412 -183507.2726 -149403.9087 298.3536 108.3741 142.7441 556899.5050 -1.3942 -1.2490 PRESSURE: 4377400 390.147 -78.0431 60.1165 -78.0438 185.453 -94.1255 60.1165 -94.1252 114.788 GPRESSURE: 4377400 418.102 -17.888 66.0066 -105.609 204.002 -104.546 82.5557 -213.611 176.432 PRESSAVG: 4377400 21.9601 -52.8115 6.23235 -52.8116 -69.0552 -85.505 6.2323 -85.5049 66.1075 GPRESSAVG: 4377400 21.4896 -52.9645 5.83283 -53.5092 -68.6098 -87.1014 6.61707 -82.0006 65.4163 TIMING: 4377400 CPU: 12672.7, 0.00289909/step Wall: 12672.7, 0.00289909/step, 0.501382 hours remaining, 209.843750 MB of memory in use. ENERGY: 4377400 714.9129 2104.1271 1943.6177 112.1470 -206747.8357 18222.1948 0.0000 0.0000 34163.4285 -149487.4078 298.3577 -183650.8363 -149387.0386 298.1997 230.1292 266.1788 555464.7760 6.3375 6.0987 PRESSURE: 4377600 -92.8008 -85.0785 -160.369 -85.0787 33.6958 110.145 -160.369 110.147 -121.777 GPRESSURE: 4377600 0.782961 -11.2529 -210.174 -80.2032 4.21415 226.042 -71.6384 42.8409 -87.9602 PRESSAVG: 4377600 37.1571 39.9375 -47.0594 39.9374 49.0421 -34.373 -47.0593 -34.3729 -73.2137 GPRESSAVG: 4377600 37.7298 40.3252 -47.8127 39.9512 48.7067 -34.6699 -46.438 -34.6778 -72.8146 TIMING: 4377600 CPU: 12673.2, 0.00288717/step Wall: 12673.2, 0.00288717/step, 0.499159 hours remaining, 209.843750 MB of memory in use. ENERGY: 4377600 750.4750 2099.8733 1906.6546 107.5405 -206444.6514 17867.2598 0.0000 0.0000 34179.0072 -149533.8409 298.4938 -183712.8481 -149444.8716 298.7559 -60.2942 -27.6544 557867.2111 4.3285 4.5407 PRESSURE: 4377800 -135.617 123.904 -2.89334 123.905 -89.7069 -25.9965 -2.89278 -25.9971 -48.6471 GPRESSURE: 4377800 -89.8413 121.31 -84.7559 222.576 -46.0519 -89.4837 56.0477 12.1625 -40.2381 PRESSAVG: 4377800 -42.194 19.417 -89.0965 19.4169 34.752 -17.9083 -89.0966 -17.9082 55.0397 GPRESSAVG: 4377800 -42.4623 20.1035 -88.4039 18.1351 35.7186 -16.7168 -90.4665 -20.3492 54.8527 TIMING: 4377800 CPU: 12673.8, 0.00289566/step Wall: 12673.8, 0.00289566/step, 0.500467 hours remaining, 209.843750 MB of memory in use. ENERGY: 4377800 756.8270 2128.2245 1910.1275 110.3380 -206549.2222 17659.8005 0.0000 0.0000 34325.8462 -149658.0585 299.7762 -183983.9046 -149560.3454 298.2526 -91.3237 -58.7104 557911.6295 15.8659 16.0363 PRESSURE: 4378000 -13.04 -40.4084 -64.1477 -40.4073 48.8331 -28.8284 -64.1463 -28.8276 48.3225 GPRESSURE: 4378000 30.5258 -56.9918 -52.0715 -21.8082 82.3387 77.7968 -84.3756 -60.045 77.5461 PRESSAVG: 4378000 -23.735 49.9038 -52.7998 49.9038 -29.78 2.84422 -52.7999 2.84421 8.87281 GPRESSAVG: 4378000 -23.2804 49.7864 -50.5744 49.8774 -31.0038 1.22931 -51.2384 5.52241 9.17059 TIMING: 4378000 CPU: 12674.4, 0.00289155/step Wall: 12674.4, 0.00289155/step, 0.499596 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4378000 740.3678 2124.9355 1920.4686 114.8900 -206430.4293 17784.2270 0.0000 0.0000 34171.2786 -149574.2616 298.4263 -183745.5402 -149475.8568 297.8829 28.0385 63.4702 558153.1969 -14.8807 -15.0379 PRESSURE: 4378200 47.5554 49.7722 27.6881 49.773 -56.7211 89.5343 27.6876 89.5353 132.39 GPRESSURE: 4378200 88.8822 -59.8513 8.30543 71.9983 6.66555 45.4047 75.0835 93.1573 126.696 PRESSAVG: 4378200 -1.1402 -29.1675 44.9767 -29.1675 -31.0544 -46.236 44.9768 -46.236 -0.510725 GPRESSAVG: 4378200 -1.94724 -30.7887 44.232 -28.3018 -30.0483 -45.2966 44.2212 -46.2077 -0.381023 TIMING: 4378200 CPU: 12675, 0.00288477/step Wall: 12675, 0.00288477/step, 0.498264 hours remaining, 209.843750 MB of memory in use. ENERGY: 4378200 746.1242 2073.3518 1938.6753 118.7881 -206503.9698 17965.9104 0.0000 0.0000 34084.9702 -149576.1499 297.6725 -183661.1201 -149480.7093 298.2865 41.0746 74.0814 558429.9401 -10.9018 -10.7922 PRESSURE: 4378400 65.0002 8.56343 76.3758 8.56368 -267.407 36.003 76.376 36.0021 -29.7532 GPRESSURE: 4378400 94.8783 22.9069 -10.1106 60.8906 -235.354 3.35037 141.53 76.126 0.211016 PRESSAVG: 4378400 -12.4071 -24.4457 -16.5254 -24.4457 -15.4642 -65.2664 -16.5254 -65.2666 27.4528 GPRESSAVG: 4378400 -11.3854 -25.5237 -18.9597 -24.0914 -16.671 -63.9258 -16.9626 -67.5586 27.6819 TIMING: 4378400 CPU: 12675.6, 0.00288742/step Wall: 12675.6, 0.00288742/step, 0.49856 hours remaining, 209.843750 MB of memory in use. ENERGY: 4378400 741.7499 2140.1116 1941.4615 100.5789 -206511.5718 17750.1978 0.0000 0.0000 34353.0600 -149484.4120 300.0138 -183837.4720 -149397.2861 298.7960 -77.3868 -46.7549 556805.4928 -0.1395 -0.1249 PRESSURE: 4378600 -103.22 43.086 -212.525 43.0855 207.864 -16.3052 -212.526 -16.3049 107.753 GPRESSURE: 4378600 -125.997 -21.3422 -195.021 144.125 225.358 6.37329 -247.062 34.3374 198.688 PRESSAVG: 4378600 50.7725 -22.9279 -63.1201 -22.9279 -6.71135 24.204 -63.12 24.204 -20.985 GPRESSAVG: 4378600 51.2387 -21.6849 -61.9714 -21.8861 -6.51878 21.1895 -62.9462 24.9362 -21.2462 TIMING: 4378600 CPU: 12676.1, 0.00289326/step Wall: 12676.1, 0.00289326/step, 0.499408 hours remaining, 209.843750 MB of memory in use. ENERGY: 4378600 760.7876 2100.4291 1940.4793 120.5854 -206742.3274 17940.4213 0.0000 0.0000 34368.0097 -149511.6151 300.1444 -183879.6248 -149413.4983 298.6870 70.7990 99.3498 557948.4785 7.6921 7.8246 PRESSURE: 4378800 -77.4662 1.05459 72.2233 1.05567 -40.1914 -63.8975 72.2223 -63.899 101.161 GPRESSURE: 4378800 -6.72784 -48.8968 70.4682 68.993 10.9502 -73.3193 106.262 -15.2283 82.5748 PRESSAVG: 4378800 -60.4099 -44.7488 9.69393 -44.7487 -15.4822 -46.418 9.69389 -46.4181 84.8029 GPRESSAVG: 4378800 -60.7341 -43.332 9.46276 -45.7021 -15.1766 -44.3175 8.86731 -44.8744 84.9753 TIMING: 4378800 CPU: 12676.7, 0.00287847/step Wall: 12676.7, 0.00287847/step, 0.496696 hours remaining, 209.843750 MB of memory in use. ENERGY: 4378800 733.6185 2122.1975 1910.6314 107.5068 -206406.5543 17777.7776 0.0000 0.0000 34501.3889 -149253.4334 301.3092 -183754.8223 -149160.8526 298.9806 -5.4990 28.9324 556610.0838 2.9703 3.0215 PRESSURE: 4379000 -141.906 57.0029 -108.53 57.0048 -44.1378 81.5227 -108.53 81.5219 170.191 GPRESSURE: 4379000 -111.391 -87.0446 -91.4963 179.218 5.3212 91.2787 -198.322 -28.536 183.76 PRESSAVG: 4379000 -55.1584 38.4943 -33.0043 38.4944 92.3526 52.4202 -33.0042 52.4202 -22.9216 GPRESSAVG: 4379000 -55.608 36.6205 -31.5356 38.3952 92.7248 52.561 -34.6002 50.1396 -22.8437 TIMING: 4379000 CPU: 12677.3, 0.00288083/step Wall: 12677.3, 0.00288083/step, 0.496943 hours remaining, 209.843750 MB of memory in use. ENERGY: 4379000 752.7491 2078.0811 1931.9338 99.4330 -206085.6730 17823.5609 0.0000 0.0000 34130.1547 -149269.7605 298.0671 -183399.9152 -149173.4431 299.3502 -5.2844 25.8969 557480.3837 4.7576 4.7577 PRESSURE: 4379200 -161.244 -138.387 -158.022 -138.387 -157.112 117.893 -158.022 117.895 -111.341 GPRESSURE: 4379200 -147.223 -8.59527 -135.59 -212.393 -88.099 166.303 -114.32 107.738 -101.676 PRESSAVG: 4379200 -71.3678 14.3515 -5.8279 14.3515 22.724 -4.15042 -5.82791 -4.15035 35.8475 GPRESSAVG: 4379200 -71.5073 15.1873 -6.95954 14.116 23.0619 -4.29414 -2.42554 -4.00454 35.7081 TIMING: 4379200 CPU: 12677.9, 0.00287431/step Wall: 12677.9, 0.00287431/step, 0.495659 hours remaining, 209.843750 MB of memory in use. ENERGY: 4379200 757.0526 2106.8499 1922.5100 110.3119 -206196.2060 17800.5037 0.0000 0.0000 34364.9629 -149134.0150 300.1178 -183498.9779 -149037.7732 299.4699 -143.2323 -112.3330 558929.5203 -4.2654 -4.2458 PRESSURE: 4379400 -46.8297 40.576 -37.9248 40.5771 -109.061 -56.0698 -37.925 -56.0705 96.6535 GPRESSURE: 4379400 -3.44136 -15.3968 -97.8257 92.3084 -108.662 -47.0112 -0.366405 -23.6548 140.799 PRESSAVG: 4379400 -34.1614 11.0257 -114.847 11.0257 18.2103 11.0933 -114.847 11.0932 29.2997 GPRESSAVG: 4379400 -34.8565 12.1489 -114.238 8.7347 17.811 10.7716 -116.406 11.0801 30.0648 TIMING: 4379400 CPU: 12678.4, 0.00289412/step Wall: 12678.4, 0.00289412/step, 0.498913 hours remaining, 209.843750 MB of memory in use. ENERGY: 4379400 740.3760 2057.2343 1945.8736 112.9758 -205991.3580 17589.8387 0.0000 0.0000 34475.1591 -149069.9004 301.0801 -183545.0595 -148971.6051 300.0818 -19.7459 9.5653 557365.7440 4.4496 4.3398 PRESSURE: 4379600 -107.095 -29.0734 99.9668 -29.0722 -87.1181 49.4189 99.9686 49.4196 -325.014 GPRESSURE: 4379600 -56.2928 71.7607 64.38 -65.102 -81.1522 -23.9493 106.941 79.8279 -292.33 PRESSAVG: 4379600 -24.2386 36.3817 11.3026 36.3818 28.7999 5.5471 11.3026 5.54717 -24.5405 GPRESSAVG: 4379600 -22.9019 38.1444 10.9815 35.8721 28.3034 5.16741 12.335 6.26009 -25.7929 TIMING: 4379600 CPU: 12679, 0.00286804/step Wall: 12679, 0.00286804/step, 0.494259 hours remaining, 209.843750 MB of memory in use. ENERGY: 4379600 734.8891 2060.2338 1933.1277 107.2001 -205672.6396 17550.0953 0.0000 0.0000 34377.1646 -148909.9291 300.2243 -183287.0937 -148810.2797 299.7676 -173.0758 -143.2584 559467.7739 -6.6597 -6.7971 PRESSURE: 4379800 135.076 59.0954 -16.1224 59.095 113.195 36.2948 -16.1221 36.2944 -1.16186 GPRESSURE: 4379800 162.014 48.5708 25.2492 83.2897 186.521 28.7247 -14.46 62.802 9.75918 PRESSAVG: 4379800 -8.13891 -14.7869 -23.4905 -14.787 49.0344 12.06 -23.4904 12.0601 -47.4965 GPRESSAVG: 4379800 -8.33468 -17.6401 -21.6974 -12.4482 47.5129 11.0886 -25.5767 13.3784 -45.9424 TIMING: 4379800 CPU: 12679.6, 0.00286367/step Wall: 12679.6, 0.00286367/step, 0.493346 hours remaining, 209.843750 MB of memory in use. ENERGY: 4379800 795.5683 2106.9232 1967.0989 114.1577 -206664.9399 18241.9486 0.0000 0.0000 34362.1141 -149077.1292 300.0929 -183439.2432 -148983.0333 299.9172 82.3698 119.4314 557169.4176 -2.2003 -2.2547 PRESSURE: 4380000 -112.02 4.26886 -109.99 4.26714 -176.777 -3.61895 -109.989 -3.61973 152.137 GPRESSURE: 4380000 -77.1232 46.5674 -103.606 10.328 -109.728 -57.2759 -114.302 39.8602 152.044 PRESSAVG: 4380000 5.91206 33.7239 11.9069 33.724 21.2342 1.71884 11.9069 1.71891 -0.16392 GPRESSAVG: 4380000 6.43183 34.5916 11.0144 34.0917 22.4087 2.83447 11.691 0.473677 -1.6486 TIMING: 4380000 CPU: 12680.2, 0.00285025/step Wall: 12680.2, 0.00285025/step, 0.490877 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4380000 729.2233 2108.6471 1918.8930 111.1886 -206104.4870 17802.7715 0.0000 0.0000 34384.5336 -149049.2300 300.2887 -183433.7636 -148959.5624 299.5795 -45.5530 -11.6024 558919.5870 8.9941 9.0640 PRESSURE: 4380200 -206.838 106.34 -46.1179 106.34 -95.7121 351.892 -46.1179 351.893 -175.771 GPRESSURE: 4380200 -169.876 129.108 -33.1849 127.21 -105.636 323.859 -49.5884 296.54 -103.642 PRESSAVG: 4380200 -11.7775 26.1112 5.80451 26.1111 36.9802 57.8229 5.80444 57.8228 -21.424 GPRESSAVG: 4380200 -12.0628 25.1128 7.2219 26.591 36.6653 56.7728 5.10996 56.6255 -20.7881 TIMING: 4380200 CPU: 12680.7, 0.00290152/step Wall: 12680.7, 0.00290152/step, 0.499546 hours remaining, 209.843750 MB of memory in use. ENERGY: 4380200 723.4714 2056.7869 1928.1962 113.8553 -205844.1637 17663.9471 0.0000 0.0000 34522.8978 -148835.0089 301.4971 -183357.9067 -148730.5385 299.5911 -159.4405 -126.3846 559572.7681 1.2596 1.2715 LDB: ============= START OF LOAD BALANCING ============== 12684.1 LDB: ============== END OF LOAD BALANCING =============== 12684.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12684.1 LDB: ============= START OF LOAD BALANCING ============== 12684.4 LDB: Largest compute 4773 load 0.024578 is 20.8% of average load 0.118032 LDB: Average compute 0.001740 is 1.5% of average load 0.118032 LDB: TIME 12684.4 LOAD: AVG 0.118032 MAX 0.176507 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.637 MB LDB: TIME 12684.4 LOAD: AVG 0.118032 MAX 0.176507 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.84 MB LDB: TIME 12684.4 LOAD: AVG 0.118032 MAX 0.176507 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12684.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12684.4 PRESSURE: 4380400 -116.847 45.8268 78.6267 45.8267 -29.1175 -155.795 78.6252 -155.793 203.366 GPRESSURE: 4380400 -92.6742 -49.8529 143.854 25.9396 15.2323 -121.339 -8.38657 -105.48 235.008 PRESSAVG: 4380400 -2.47613 -9.34821 0.462753 -9.34819 -9.51284 28.474 0.462615 28.474 17.7038 GPRESSAVG: 4380400 -3.78245 -10.4462 -1.22499 -8.88554 -8.26335 30.826 1.71465 28.7496 17.5809 TIMING: 4380400 CPU: 12681.3, 0.00294989/step Wall: 12681.3, 0.00294989/step, 0.507709 hours remaining, 211.253906 MB of memory in use. ENERGY: 4380400 719.3769 2038.8845 1955.8380 123.9755 -206013.1190 17789.0995 0.0000 0.0000 34374.6952 -149011.2495 300.2028 -183385.9447 -148908.4249 300.2815 19.1340 52.5221 557310.3705 1.9050 1.8450 PRESSURE: 4380600 159.313 129.077 39.6977 129.076 -16.7425 97.7998 39.6976 97.8 134.009 GPRESSURE: 4380600 181.763 83.4388 74.4872 118.746 18.7184 73.1371 43.6295 84.3237 166.363 PRESSAVG: 4380600 29.4557 -9.53185 37.4831 -9.5319 -51.7152 -20.6858 37.4831 -20.6858 43.4083 GPRESSAVG: 4380600 29.4032 -9.10868 37.1168 -9.57143 -52.7484 -22.3771 37.6987 -19.1205 44.9079 TIMING: 4380600 CPU: 12681.9, 0.00288656/step Wall: 12681.9, 0.00288656/step, 0.496649 hours remaining, 211.253906 MB of memory in use. ENERGY: 4380600 732.2528 2095.1137 1963.5417 116.1676 -206016.4864 17867.4804 0.0000 0.0000 34224.6557 -149017.2745 298.8924 -183241.9302 -148922.3056 299.9611 92.1933 122.2814 557169.1749 7.0496 7.1876 PRESSURE: 4380800 18.1607 -53.4053 48.4621 -53.4049 13.2294 -87.0573 48.4629 -87.0568 30.0712 GPRESSURE: 4380800 20.5349 35.4567 145.774 -116.093 56.3203 -42.5491 50.6517 -80.5007 66.7201 PRESSAVG: 4380800 -12.0259 -63.9814 27.3806 -63.9814 -20.5425 18.529 27.3805 18.5289 71.3307 GPRESSAVG: 4380800 -13.6246 -62.6614 26.9804 -65.3566 -19.6855 20.1269 25.7079 18.7968 72.0008 TIMING: 4380800 CPU: 12682.5, 0.0028652/step Wall: 12682.5, 0.0028652/step, 0.492815 hours remaining, 211.253906 MB of memory in use. ENERGY: 4380800 767.6090 2092.1603 1937.7327 111.9626 -206021.4360 17838.5880 0.0000 0.0000 34299.9082 -148973.4753 299.5496 -183273.3834 -148887.1916 300.1230 20.4871 47.8584 556933.2863 12.9208 12.8969 PRESSURE: 4381000 -258.215 143.739 11.3906 143.739 -59.9721 43.7792 11.3913 43.7785 -147.129 GPRESSURE: 4381000 -207.669 122.168 -33.4753 126.592 -42.1906 70.3221 93.9626 72.5046 -117.257 PRESSAVG: 4381000 10.7332 29.3191 33.9131 29.3191 -37.2518 -2.52477 33.9131 -2.52477 20.5013 GPRESSAVG: 4381000 13.1908 29.572 33.4427 28.5999 -38.1255 -3.35124 35.4512 -4.20947 19.4849 TIMING: 4381000 CPU: 12683.1, 0.00286178/step Wall: 12683.1, 0.00286178/step, 0.492067 hours remaining, 211.324219 MB of memory in use. ENERGY: 4381000 763.3262 2081.7279 1942.5496 112.4616 -205702.4704 17560.2446 0.0000 0.0000 34224.8656 -149017.2949 298.8943 -183242.1605 -148917.5402 300.0712 -155.1053 -122.3720 558186.1204 -2.0058 -1.8166 PRESSURE: 4381200 245.854 59.7494 -49.6357 59.749 -216.193 191.323 -49.635 191.322 -224.248 GPRESSURE: 4381200 244.873 96.4315 -40.955 -24.4424 -184.236 219.411 -35.2495 168.529 -147.735 PRESSAVG: 4381200 -14.2292 -24.3804 -9.56181 -24.3804 -20.3834 11.9644 -9.56187 11.9642 -38.4932 GPRESSAVG: 4381200 -14.0148 -25.7346 -10.0714 -23.9471 -20.1133 15.0139 -10.9207 10.8793 -38.6635 TIMING: 4381200 CPU: 12683.6, 0.00285136/step Wall: 12683.6, 0.00285136/step, 0.490118 hours remaining, 211.324219 MB of memory in use. ENERGY: 4381200 762.7415 2106.1495 1932.6061 106.7230 -205871.2223 17669.0574 0.0000 0.0000 34391.3891 -148902.5558 300.3486 -183293.9449 -148806.0705 300.1934 -64.8624 -29.0326 556937.1734 -24.3686 -24.2638 PRESSURE: 4381400 -333.521 -76.0551 73.7886 -76.0528 -43.1118 62.6571 73.7878 62.6554 -132.768 GPRESSURE: 4381400 -298.775 -142.597 44.5269 -96.2612 17.8604 82.8622 134.797 18.3745 -151.79 PRESSAVG: 4381400 15.9312 2.70559 2.1918 2.70564 66.0149 -10.8716 2.19183 -10.8717 -27.0444 GPRESSAVG: 4381400 15.3451 2.84868 3.00272 2.41996 66.5048 -13.5576 3.71152 -9.57874 -27.4077 TIMING: 4381400 CPU: 12684.2, 0.00286207/step Wall: 12684.2, 0.00286207/step, 0.491799 hours remaining, 211.324219 MB of memory in use. ENERGY: 4381400 816.3603 2142.0725 1964.6917 112.9239 -205758.0725 17661.3132 0.0000 0.0000 34283.4651 -148777.2459 299.4060 -183060.7110 -148683.7114 300.5031 -169.8002 -144.2347 556882.6866 18.3006 18.1474 PRESSURE: 4381600 -241.078 -81.9269 19.7725 -81.9249 5.89257 183.3 19.7735 183.3 -185.866 GPRESSURE: 4381600 -205.211 -11.3255 159.596 -161.01 45.9484 194.561 -10.9633 193.458 -159.933 PRESSAVG: 4381600 -35.8637 -12.2145 12.7549 -12.2145 -15.1597 34.1316 12.7549 34.1315 42.201 GPRESSAVG: 4381600 -35.2007 -8.97369 13.689 -13.4852 -14.7566 33.1638 12.0927 36.5312 41.084 TIMING: 4381600 CPU: 12684.8, 0.00284722/step Wall: 12684.8, 0.00284722/step, 0.489089 hours remaining, 211.324219 MB of memory in use. ENERGY: 4381600 756.8288 2110.2285 1950.6289 112.1469 -205758.0564 17589.1895 0.0000 0.0000 34402.9125 -148836.1215 300.4492 -183239.0340 -148723.2267 300.9632 -140.3504 -106.3984 556506.4530 -2.9408 -2.9578 PRESSURE: 4381800 -259.168 -194.01 -188.752 -194.01 138.409 139.419 -188.752 139.42 -199.999 GPRESSURE: 4381800 -260.234 -139.908 -191.875 -238.39 185.162 193.978 -214.646 49.4952 -154.7 PRESSAVG: 4381800 20.3595 -52.0866 -14.8957 -52.0866 -9.46549 72.1138 -14.8957 72.1138 -24.1765 GPRESSAVG: 4381800 20.2571 -53.9182 -17.4411 -50.2039 -9.77339 74.5334 -12.9762 69.6289 -24.2544 TIMING: 4381800 CPU: 12685.3, 0.00287044/step Wall: 12685.3, 0.00287044/step, 0.492918 hours remaining, 211.324219 MB of memory in use. ENERGY: 4381800 756.7411 2175.7858 1919.2039 121.6073 -205823.8108 17516.0840 0.0000 0.0000 34398.2414 -148936.1473 300.4084 -183334.3887 -148835.1090 300.3042 -106.9194 -76.5908 557826.7444 -4.4275 -4.5902 PRESSURE: 4382000 -81.5697 -100.988 -28.0673 -100.988 -72.5077 45.9538 -28.0687 45.9548 -208.865 GPRESSURE: 4382000 -56.6191 -148.023 -79.6696 -122.682 -14.9109 28.6903 2.38727 81.7145 -208.926 PRESSAVG: 4382000 35.2615 -51.1765 -41.2446 -51.1766 -13.9812 -19.3335 -41.2445 -19.3335 -34.7381 GPRESSAVG: 4382000 34.8523 -53.1666 -40.1513 -51.7081 -13.8612 -20.5779 -40.8683 -19.3496 -34.5586 TIMING: 4382000 CPU: 12685.9, 0.00286057/step Wall: 12685.9, 0.00286057/step, 0.491065 hours remaining, 211.324219 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: 4382000 733.4868 2128.6303 1899.9560 123.3416 -205754.0075 17652.4853 0.0000 0.0000 34241.8150 -148974.2925 299.0423 -183216.1075 -148876.5077 299.9989 -120.9810 -93.4855 558281.5744 -4.4859 -4.5225 PRESSURE: 4382200 150.449 64.4883 -78.0848 64.4893 -6.87874 85.2598 -78.0854 85.2604 -78.5426 GPRESSURE: 4382200 151.914 155.666 -82.1361 20.052 26.3546 99.0346 -53.3425 67.7789 -3.88515 PRESSAVG: 4382200 16.8213 48.7268 9.79334 48.7268 -48.6633 -16.3689 9.79332 -16.369 63.3297 GPRESSAVG: 4382200 15.7868 51.1133 10.5858 47.0745 -48.2616 -17.9871 6.76171 -16.4998 64.2862 TIMING: 4382200 CPU: 12686.5, 0.00287213/step Wall: 12686.5, 0.00287213/step, 0.49289 hours remaining, 211.324219 MB of memory in use. ENERGY: 4382200 758.6915 2118.5640 1939.0913 116.0166 -206106.5221 17916.6563 0.0000 0.0000 34104.1428 -149153.3595 297.8400 -183257.5024 -149064.6303 299.1904 21.6758 58.1279 557468.6079 10.4959 10.6038 PRESSURE: 4382400 137.106 129.538 104.769 129.538 -273.417 41.7351 104.769 41.7356 -90.6196 GPRESSURE: 4382400 131.578 50.8881 85.0806 163.359 -226.879 -5.68173 106.867 33.2515 -28.7738 PRESSAVG: 4382400 78.8855 -3.20416 -7.32491 -3.2042 -85.7967 -0.08918 -7.32488 -0.0891636 -55.7348 GPRESSAVG: 4382400 79.7984 -4.86759 -9.20564 -0.494011 -86.4284 1.34964 -6.50498 1.63316 -56.2988 TIMING: 4382400 CPU: 12687.1, 0.00286391/step Wall: 12687.1, 0.00286391/step, 0.49132 hours remaining, 211.324219 MB of memory in use. ENERGY: 4382400 722.9842 2159.8906 1926.0371 115.8501 -206297.7652 17679.3823 0.0000 0.0000 34524.2394 -149169.3816 301.5088 -183693.6210 -149068.6183 299.0419 -75.6434 -41.3583 556829.6715 -20.8820 -20.9763 PRESSURE: 4382600 -25.0506 175.191 -12.8101 175.19 -27.9624 67.9843 -12.8113 67.9843 -90.2604 GPRESSURE: 4382600 54.3874 177.279 -20.9787 157.399 -40.3278 170.907 -0.840524 -26.1793 -75.4833 PRESSAVG: 4382600 33.8677 -14.9373 37.6091 -14.9374 -38.257 9.02719 37.6091 9.02732 24.8714 GPRESSAVG: 4382600 33.1001 -14.5017 39.5223 -15.5271 -37.2051 9.87262 37.963 11.0018 24.463 TIMING: 4382600 CPU: 12687.6, 0.00286401/step Wall: 12687.6, 0.00286401/step, 0.491178 hours remaining, 211.324219 MB of memory in use. ENERGY: 4382600 771.8423 2144.2775 1916.7349 107.2958 -205927.9135 17536.4195 0.0000 0.0000 34353.5573 -149097.7862 300.0182 -183451.3436 -149002.7709 299.6298 -47.7578 -20.4746 557054.6301 6.8274 6.7860 PRESSURE: 4382800 57.0733 -157.701 136.508 -157.701 56.7248 -113.363 136.509 -113.363 -7.5423 GPRESSURE: 4382800 98.1703 -108.508 60.4065 -128.478 98.1427 -138.813 100.172 -138.772 6.14444 PRESSAVG: 4382800 -21.2789 7.72856 31.2752 7.72855 24.3835 -35.6018 31.2751 -35.6016 5.46693 GPRESSAVG: 4382800 -20.4447 7.73282 30.2918 7.36729 23.4363 -36.9602 32.4687 -34.7181 5.25549 TIMING: 4382800 CPU: 12688.2, 0.00285006/step Wall: 12688.2, 0.00285006/step, 0.488627 hours remaining, 211.324219 MB of memory in use. ENERGY: 4382800 697.0487 2090.6603 1964.9739 116.2493 -205863.0484 17585.2283 0.0000 0.0000 34201.3663 -149207.5216 298.6890 -183408.8879 -149100.5897 299.7756 35.4186 67.4858 556670.6851 2.8572 2.7490 PRESSURE: 4383000 101.211 -6.50643 71.7161 -6.50609 41.8382 -127.028 71.7137 -127.028 -156.2 GPRESSURE: 4383000 84.1299 -25.1218 164.436 -57.6614 57.8362 -121.903 -38.0767 -129.453 -68.6574 PRESSAVG: 4383000 -52.4878 -16.0376 49.0068 -16.0377 17.075 -69.9106 49.0068 -69.9105 28.1943 GPRESSAVG: 4383000 -54.2757 -17.8099 50.5518 -15.8481 18.2806 -72.8715 46.7703 -70.423 29.2478 TIMING: 4383000 CPU: 12688.8, 0.00286047/step Wall: 12688.8, 0.00286047/step, 0.490254 hours remaining, 211.324219 MB of memory in use. ENERGY: 4383000 725.8724 2129.0875 1931.1313 116.3560 -206122.7806 17759.9920 0.0000 0.0000 34193.2090 -149267.1324 298.6178 -183460.3414 -149173.7827 298.7699 -4.3837 24.4362 557652.3589 -2.4062 -2.2491 PRESSURE: 4383200 86.2543 -120.98 -71.4009 -120.98 -132.49 -55.0226 -71.4 -55.0228 -167.467 GPRESSURE: 4383200 108.305 20.8144 -72.1713 -120.059 -111.083 -64.7722 -11.9561 -66.551 -121.267 PRESSAVG: 4383200 66.5688 -11.823 9.61535 -11.8231 -48.9422 4.16964 9.6154 4.16973 -52.8271 GPRESSAVG: 4383200 67.0623 -10.2602 8.26563 -10.7075 -49.0411 5.90814 11.4196 4.45609 -52.9369 TIMING: 4383200 CPU: 12689.3, 0.00288571/step Wall: 12689.3, 0.00288571/step, 0.494418 hours remaining, 211.324219 MB of memory in use. ENERGY: 4383200 734.2993 2086.7528 1950.8576 109.9660 -205973.7929 17781.0156 0.0000 0.0000 34156.3013 -149154.6004 298.2955 -183310.9017 -149058.6632 299.0085 -71.2345 -41.3482 558988.4041 -11.7335 -11.6386 PRESSURE: 4383400 -92.5925 65.0672 -167.529 65.0664 -150.52 79.8054 -167.529 79.8037 -362.082 GPRESSURE: 4383400 -63.0614 87.5291 -147.081 -53.8414 -125.493 140.725 -201.659 106.389 -317.97 PRESSAVG: 4383400 -1.29654 -25.1009 -59.1341 -25.101 -22.3666 2.76454 -59.1342 2.76452 49.723 GPRESSAVG: 4383400 -1.87707 -25.2672 -59.7157 -28.4289 -21.897 4.7477 -58.803 1.92611 49.6333 TIMING: 4383400 CPU: 12689.9, 0.00287022/step Wall: 12689.9, 0.00287022/step, 0.491606 hours remaining, 211.324219 MB of memory in use. ENERGY: 4383400 727.4011 2096.3512 1913.5839 106.2585 -205932.7606 17470.2166 0.0000 0.0000 34432.3671 -149186.5822 300.7064 -183618.9493 -149085.2335 299.7786 -201.7313 -168.8415 558598.8254 8.6866 8.6197 PRESSURE: 4383600 -75.1829 -31.3888 13.8336 -31.389 13.7169 167.342 13.8344 167.342 -147.014 GPRESSURE: 4383600 14.4411 -10.1388 1.53742 -66.4912 24.9471 158.451 78.1306 74.0136 -148.351 PRESSAVG: 4383600 17.1257 -15.1073 -18.9818 -15.1073 67.4543 -80.0675 -18.9818 -80.0675 -81.4464 GPRESSAVG: 4383600 17.8584 -16.6466 -19.1504 -11.2907 67.7437 -83.021 -18.7981 -78.8097 -82.0862 TIMING: 4383600 CPU: 12690.5, 0.00287508/step Wall: 12690.5, 0.00287508/step, 0.492278 hours remaining, 211.324219 MB of memory in use. ENERGY: 4383600 768.5017 2102.3465 1931.4163 112.5562 -206140.2107 17870.9904 0.0000 0.0000 34122.5291 -149231.8705 298.0005 -183354.3995 -149134.5698 299.0824 -69.4933 -36.3208 558510.6406 1.0445 1.1720 PRESSURE: 4383800 -142.967 219.722 112.752 219.722 -16.2224 12.1584 112.752 12.1579 -204.54 GPRESSURE: 4383800 -114.666 216.512 120.052 188.469 55.2517 122.279 136.324 -68.6682 -215.99 PRESSAVG: 4383800 56.195 32.8586 37.2994 32.8586 5.72244 2.7666 37.2994 2.7665 -21.4083 GPRESSAVG: 4383800 55.1931 33.7531 39.1142 30.4044 6.0731 5.11002 35.7152 0.931186 -20.721 TIMING: 4383800 CPU: 12691.1, 0.00284925/step Wall: 12691.1, 0.00284925/step, 0.487697 hours remaining, 211.324219 MB of memory in use. ENERGY: 4383800 739.3201 2058.7384 1961.3325 115.3551 -205905.4602 17681.7557 0.0000 0.0000 34154.7202 -149194.2381 298.2817 -183348.9583 -149089.9801 298.9280 -121.2429 -91.8016 558772.6693 13.5031 13.5151 PRESSURE: 4384000 -36.7719 -9.0984 40.8235 -9.09826 -20.1501 14.5026 40.8227 14.5029 121.681 GPRESSURE: 4384000 -18.5619 27.2353 65.5391 -64.3442 9.98032 11.9567 124.454 28.5336 161.378 PRESSAVG: 4384000 28.0605 45.8426 25.8102 45.8426 15.4711 -18.937 25.8101 -18.9369 -24.382 GPRESSAVG: 4384000 28.0552 44.9745 26.987 44.9955 15.144 -18.9148 25.9812 -16.6756 -23.8447 TIMING: 4384000 CPU: 12691.6, 0.00286595/step Wall: 12691.6, 0.00286595/step, 0.490397 hours remaining, 211.324219 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: 4384000 763.0585 2065.2416 1945.9411 116.0450 -206271.1427 17843.3740 0.0000 0.0000 34290.4131 -149247.0694 299.4667 -183537.4825 -149150.0627 299.5153 21.5865 50.9323 557656.9873 6.3832 6.4515 PRESSURE: 4384200 -6.88437 130.529 -195.661 130.529 -119.318 70.8069 -195.661 70.806 -283.919 GPRESSURE: 4384200 0.919198 81.2193 -167.321 155.679 -44.363 126.842 -226.035 -26.0827 -268.974 PRESSAVG: 4384200 24.5612 54.9921 12.5743 54.9921 9.61022 8.30091 12.5743 8.3009 -44.2182 GPRESSAVG: 4384200 25.29 55.3222 11.7673 57.5488 10.0408 5.45928 13.6574 8.63111 -45.0892 TIMING: 4384200 CPU: 12692.2, 0.00288315/step Wall: 12692.2, 0.00288315/step, 0.493178 hours remaining, 211.390625 MB of memory in use. ENERGY: 4384200 774.4160 2152.3749 1930.3864 122.6776 -206004.8256 17666.2721 0.0000 0.0000 34230.1476 -149128.5510 298.9404 -183358.6986 -149033.7255 299.3268 -136.7068 -104.1393 558005.4239 -3.3489 -3.2528 LDB: ============= START OF LOAD BALANCING ============== 12695.6 LDB: ============== END OF LOAD BALANCING =============== 12695.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12695.6 LDB: ============= START OF LOAD BALANCING ============== 12695.9 LDB: Largest compute 4773 load 0.025871 is 21.9% of average load 0.118055 LDB: Average compute 0.001740 is 1.5% of average load 0.118055 LDB: TIME 12695.9 LOAD: AVG 0.118055 MAX 0.178119 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.434 MB LDB: TIME 12695.9 LOAD: AVG 0.118055 MAX 0.178119 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.637 MB LDB: TIME 12695.9 LOAD: AVG 0.118055 MAX 0.178119 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.637 MB LDB: ============== END OF LOAD BALANCING =============== 12695.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12695.9 PRESSURE: 4384400 -100.399 101.562 -88.3404 101.562 -101.75 180.946 -88.3395 180.947 -108.273 GPRESSURE: 4384400 -25.0248 120.287 -34.9482 64.3922 -88.5944 163.105 -159.754 139.513 -92.135 PRESSAVG: 4384400 33.5341 -5.56032 5.7897 -5.56024 -17.544 -43.4218 5.78981 -43.4218 0.617139 GPRESSAVG: 4384400 33.9515 -3.47065 4.43779 -6.9052 -17.8584 -40.7054 5.75887 -48.1658 0.613174 TIMING: 4384400 CPU: 12692.8, 0.00294109/step Wall: 12692.8, 0.00294109/step, 0.502926 hours remaining, 209.851562 MB of memory in use. ENERGY: 4384400 730.8380 2123.3121 1924.1801 115.9588 -205792.8166 17613.4332 0.0000 0.0000 34304.7152 -148980.3792 299.5916 -183285.0944 -148883.2555 299.2321 -103.4740 -68.5847 558255.5059 5.5357 5.5687 PRESSURE: 4384600 -176.904 -124.99 -160.831 -124.989 -233.485 -116.771 -160.83 -116.771 -484.829 GPRESSURE: 4384600 -157.308 -64.6592 -202.629 -93.578 -196.454 -146.217 -188.63 17.0968 -437.711 PRESSAVG: 4384600 4.84579 28.6188 32.839 28.6189 -9.02047 -32.1205 32.839 -32.1205 -44.7174 GPRESSAVG: 4384600 4.29111 26.7932 34.0133 28.7521 -8.22279 -33.2386 31.6245 -28.9465 -45.067 TIMING: 4384600 CPU: 12693.4, 0.00288284/step Wall: 12693.4, 0.00288284/step, 0.492806 hours remaining, 209.921875 MB of memory in use. ENERGY: 4384600 779.7687 2092.8150 1930.4425 127.0630 -205462.7445 17355.6443 0.0000 0.0000 34230.8475 -148946.1635 298.9465 -183177.0110 -148850.9309 300.3267 -298.4062 -263.8243 560044.8517 -16.2974 -16.3329 PRESSURE: 4384800 -110.745 -2.9817 49.5214 -2.98155 -112.211 120.721 49.5233 120.722 -29.124 GPRESSURE: 4384800 -66.9258 -12.2709 28.8614 -6.34291 -138.78 -29.7185 106.504 147.201 44.7827 PRESSAVG: 4384800 -17.2643 44.557 -10.6214 44.5571 10.7602 -29.0619 -10.6214 -29.0618 -1.8381 GPRESSAVG: 4384800 -15.2829 44.0676 -9.67813 43.2586 8.58969 -29.4074 -10.2952 -29.2613 -1.91745 TIMING: 4384800 CPU: 12694, 0.0028733/step Wall: 12694, 0.0028733/step, 0.491015 hours remaining, 209.921875 MB of memory in use. ENERGY: 4384800 712.3474 2086.4743 1912.1636 104.8506 -205640.9227 17559.9084 0.0000 0.0000 34303.3700 -148961.8083 299.5799 -183265.1783 -148866.3970 300.0820 -84.0267 -53.6410 558875.5307 -2.7807 -2.8702 PRESSURE: 4385000 -459.302 15.4317 -82.5475 15.4333 260.48 68.8176 -82.5478 68.8184 -44.8635 GPRESSURE: 4385000 -422.149 22.2687 -76.4816 19.5154 267.891 16.7045 -6.32407 84.6138 -6.65408 PRESSAVG: 4385000 -84.0465 8.86121 -23.0741 8.86123 20.2058 44.6018 -23.0742 44.6019 73.4189 GPRESSAVG: 4385000 -84.8112 9.80441 -24.9695 11.5017 20.2355 45.0993 -22.4456 44.2634 74.0749 TIMING: 4385000 CPU: 12694.5, 0.00287197/step Wall: 12694.5, 0.00287197/step, 0.490628 hours remaining, 209.921875 MB of memory in use. ENERGY: 4385000 780.8253 2099.7005 1942.3779 107.1068 -205802.5313 17577.7083 0.0000 0.0000 34314.3622 -148980.4503 299.6759 -183294.8125 -148883.5520 299.9492 -81.2285 -53.6372 557027.3358 3.1927 3.1664 PRESSURE: 4385200 -87.7839 -91.0226 -131.247 -91.0225 -120.322 -71.6891 -131.247 -71.6899 -12.7081 GPRESSURE: 4385200 -89.6729 -159.202 -128.332 -71.4114 -64.7935 -88.2621 -116.149 -138.466 35.8614 PRESSAVG: 4385200 -34.786 -12.9726 -13.3135 -12.9725 38.1848 -55.3874 -13.3135 -55.3873 17.5356 GPRESSAVG: 4385200 -36.0814 -11.4673 -14.2268 -15.3621 38.6299 -54.6697 -12.9415 -55.0142 18.5706 TIMING: 4385200 CPU: 12695.1, 0.00287864/step Wall: 12695.1, 0.00287864/step, 0.491608 hours remaining, 209.921875 MB of memory in use. ENERGY: 4385200 791.4473 2075.7704 1970.3484 108.9531 -206071.9983 17912.7750 0.0000 0.0000 34250.0234 -148962.6807 299.1140 -183212.7041 -148871.1453 300.3140 -73.6047 -39.5350 558405.3457 6.9781 7.0397 PRESSURE: 4385400 -251.007 31.8822 -86.0701 31.8814 -178.847 -101.49 -86.0702 -101.489 -200.523 GPRESSURE: 4385400 -208.582 45.6594 -17.218 55.9024 -137.866 -94.2589 -81.3746 -127.92 -189.451 PRESSAVG: 4385400 2.03044 -12.2614 10.5142 -12.2615 -34.6622 -9.87889 10.5142 -9.87889 8.55333 GPRESSAVG: 4385400 2.28279 -14.0947 13.1161 -13.3465 -34.6334 -10.3859 8.47823 -10.6618 7.81921 TIMING: 4385400 CPU: 12695.7, 0.00288515/step Wall: 12695.7, 0.00288515/step, 0.492559 hours remaining, 209.921875 MB of memory in use. ENERGY: 4385400 736.6545 2123.7016 1941.6911 107.3030 -205377.9500 17395.3588 0.0000 0.0000 34102.5157 -148970.7253 297.8258 -183073.2410 -148882.0955 300.1290 -210.1254 -178.6328 559251.4287 -8.0261 -8.1771 PRESSURE: 4385600 219.743 -9.21804 8.66224 -9.21893 88.7725 37.991 8.66082 37.9916 67.518 GPRESSURE: 4385600 219.137 15.1898 -16.1109 20.0647 98.3109 -50.9176 8.31556 33.6874 150.468 PRESSAVG: 4385600 10.7904 17.8016 -10.3587 17.8016 -6.70862 27.872 -10.3588 27.872 9.9772 GPRESSAVG: 4385600 10.7271 16.5578 -11.9095 17.4482 -5.90478 26.9105 -8.63066 28.6925 9.40348 TIMING: 4385600 CPU: 12696.3, 0.00287463/step Wall: 12696.3, 0.00287463/step, 0.490603 hours remaining, 209.921875 MB of memory in use. ENERGY: 4385600 740.7127 2108.0019 1927.3259 110.0667 -206095.2675 18022.6720 0.0000 0.0000 34239.4356 -148947.0527 299.0215 -183186.4884 -148851.0020 300.1733 125.3446 155.9720 558714.8946 4.6863 4.7419 PRESSURE: 4385800 226.126 -12.3905 -40.1073 -12.3899 -45.8577 -59.1163 -40.1067 -59.1144 144.845 GPRESSURE: 4385800 249.991 -12.4436 33.3267 0.311104 8.59004 -79.9716 -116.672 16.057 162.372 PRESSAVG: 4385800 -43.9936 -6.15294 21.0577 -6.15283 -34.2148 -62.5944 21.0577 -62.5944 65.1608 GPRESSAVG: 4385800 -43.1164 -5.08193 21.2552 -5.8744 -35.483 -62.1327 18.4665 -63.437 65.5555 TIMING: 4385800 CPU: 12696.8, 0.00288188/step Wall: 12696.8, 0.00288188/step, 0.491681 hours remaining, 209.921875 MB of memory in use. ENERGY: 4385800 745.2571 2096.6166 1940.4387 103.1971 -205956.8232 17836.4857 0.0000 0.0000 34286.3839 -148948.4441 299.4315 -183234.8280 -148856.4612 300.6921 108.3714 140.3177 556622.5411 -4.3492 -4.3480 PRESSURE: 4386000 -451.278 -39.6748 72.888 -39.6747 -303.651 -1.66227 72.8884 -1.66371 -110.509 GPRESSURE: 4386000 -446.633 -23.0734 73.7683 -42.4634 -201.628 35.6517 -32.2708 -39.3021 -126.079 PRESSAVG: 4386000 18.5497 39.8188 63.488 39.8188 -90.7946 10.0029 63.488 10.0028 63.5868 GPRESSAVG: 4386000 18.367 39.1061 62.2752 39.3601 -90.2799 9.9383 64.6797 10.1741 63.1395 TIMING: 4386000 CPU: 12697.4, 0.0028973/step Wall: 12697.4, 0.0028973/step, 0.49415 hours remaining, 209.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4386000 745.8465 2077.2557 1951.4940 122.5799 -205533.0463 17348.6003 0.0000 0.0000 34281.2692 -149006.0008 299.3868 -183287.2700 -148909.3405 299.8775 -288.4795 -258.1133 557538.7579 -2.8860 -2.9245 PRESSURE: 4386200 -195.22 29.2341 -199.402 29.2358 -44.1975 61.2579 -199.401 61.2564 -130.257 GPRESSURE: 4386200 -224.326 24.5028 -261.864 39.7758 -44.9732 -80.0862 -130.963 149.122 -2.91363 PRESSAVG: 4386200 44.8654 -24.7113 12.1832 -24.7112 -14.4277 43.1203 12.1831 43.1203 7.50073 GPRESSAVG: 4386200 44.9679 -23.1837 13.8179 -24.1385 -14.2319 41.1321 12.3499 44.1857 7.83577 TIMING: 4386200 CPU: 12698, 0.00288553/step Wall: 12698, 0.00288553/step, 0.491982 hours remaining, 209.921875 MB of memory in use. ENERGY: 4386200 783.1925 2040.6697 1950.5676 118.3623 -205535.2793 17470.8521 0.0000 0.0000 34186.6299 -148985.0052 298.5603 -183171.6351 -148886.0716 299.6873 -123.2249 -90.7376 557547.1297 12.6461 12.8572 PRESSURE: 4386400 139.133 99.7151 -189.813 99.7145 -146.095 -46.6459 -189.813 -46.6471 -130.01 GPRESSURE: 4386400 124.98 115.158 -199.832 115.045 -77.6178 -76.6142 -140.506 12.0198 -79.3699 PRESSAVG: 4386400 -29.2299 -0.103937 -42.6292 -0.103991 49.0607 -36.9454 -42.6293 -36.9453 -20.8551 GPRESSAVG: 4386400 -30.0583 -0.189809 -41.4004 -2.3311 49.4702 -35.1869 -41.1602 -38.0653 -19.9488 TIMING: 4386400 CPU: 12698.6, 0.00289569/step Wall: 12698.6, 0.00289569/step, 0.493554 hours remaining, 209.921875 MB of memory in use. ENERGY: 4386400 768.7069 2125.6882 1934.8422 107.4248 -205689.8317 17444.4560 0.0000 0.0000 34388.4371 -148920.2765 300.3228 -183308.7136 -148815.8489 300.1440 -45.6572 -10.6693 556809.3156 -0.3414 -0.1790 PRESSURE: 4386600 -31.7186 -143.812 103.586 -143.811 34.1677 -60.2137 103.586 -60.2138 -212.502 GPRESSURE: 4386600 47.4359 -147.851 43.0033 -100.404 54.5076 -71.9259 126.641 -70.6774 -213.192 PRESSAVG: 4386600 61.328 10.518 25.7001 10.518 35.6491 -49.5225 25.7001 -49.5227 -55.5249 GPRESSAVG: 4386600 60.2804 9.39256 24.9324 12.5423 35.9295 -49.4921 24.7652 -50.4326 -54.8398 TIMING: 4386600 CPU: 12699.1, 0.00288655/step Wall: 12699.1, 0.00288655/step, 0.491836 hours remaining, 209.921875 MB of memory in use. ENERGY: 4386600 751.1674 2055.9373 1951.3961 118.9705 -205974.2575 17589.5167 0.0000 0.0000 34503.4214 -149003.8481 301.3270 -183507.2695 -148894.2631 300.2313 -70.0178 -37.0829 556292.9823 13.8174 13.7900 PRESSURE: 4386800 63.4785 -138.275 47.1013 -138.275 113.389 -147.745 47.1013 -147.744 238.278 GPRESSURE: 4386800 74.5584 -162.078 76.4212 -173.362 120.72 -37.654 20.7285 -182.485 307.523 PRESSAVG: 4386800 21.6473 -13.8451 37.4181 -13.8452 42.6711 -49.8796 37.418 -49.8795 -36.56 GPRESSAVG: 4386800 24.5894 -14.0557 38.7961 -13.6197 41.9476 -51.805 37.3991 -47.3653 -38.5805 TIMING: 4386800 CPU: 12699.7, 0.00288136/step Wall: 12699.7, 0.00288136/step, 0.490792 hours remaining, 209.921875 MB of memory in use. ENERGY: 4386800 746.1278 2017.0790 1947.7418 111.1069 -206082.3139 17928.4284 0.0000 0.0000 34415.0115 -148916.8185 300.5549 -183331.8299 -148818.0116 300.1483 138.3820 167.6004 557488.2822 9.2528 9.3189 PRESSURE: 4387000 -97.3754 -52.902 -10.8099 -52.9013 -47.369 70.9565 -10.8087 70.9559 -11.0255 GPRESSURE: 4387000 -70.1067 -56.4608 -37.4833 15.0049 -39.8819 29.7978 -35.4426 76.3323 37.9029 PRESSAVG: 4387000 -26.1977 -31.7405 24.602 -31.7405 27.121 13.0652 24.6021 13.0651 -25.4291 GPRESSAVG: 4387000 -26.5553 -32.3236 21.9514 -31.6454 26.4225 12.1188 24.9776 9.96992 -24.3528 TIMING: 4387000 CPU: 12700.3, 0.00287325/step Wall: 12700.3, 0.00287325/step, 0.489251 hours remaining, 209.921875 MB of memory in use. ENERGY: 4387000 730.0676 2086.3429 1941.2150 117.6702 -205985.4031 17683.7309 0.0000 0.0000 34613.0926 -148813.2839 302.2847 -183426.3766 -148710.2838 300.5767 -51.9233 -24.0286 557051.7143 -8.1686 -8.1619 PRESSURE: 4387200 -102.166 55.8986 29.6209 55.8986 -438.129 -98.6789 29.6191 -98.6803 15.4706 GPRESSURE: 4387200 -82.8326 6.47189 7.1473 62.4678 -418.539 -71.598 -41.9578 -64.8585 77.097 PRESSAVG: 4387200 -15.8998 -29.2259 3.57177 -29.2259 9.79991 -9.21432 3.5718 -9.21443 -2.3461 GPRESSAVG: 4387200 -16.0546 -27.8908 3.82607 -31.8057 10.6998 -6.44025 3.01397 -7.09004 -2.68984 TIMING: 4387200 CPU: 12700.9, 0.00288683/step Wall: 12700.9, 0.00288683/step, 0.491402 hours remaining, 209.921875 MB of memory in use. ENERGY: 4387200 766.2038 2102.1224 1986.4612 120.3567 -205267.1791 17400.5915 0.0000 0.0000 34259.3143 -148632.1292 299.1951 -182891.4435 -148532.6363 300.2215 -174.9413 -141.4250 558835.6050 -2.8153 -2.6815 PRESSURE: 4387400 46.1493 -121.667 -38.8158 -121.668 -155.283 142.698 -38.8156 142.699 -82.4074 GPRESSURE: 4387400 42.2727 -106.423 -126.626 -120.045 -78.844 119.663 138.711 131.878 -56.0202 PRESSAVG: 4387400 34.5219 -49.1096 14.0203 -49.1096 -31.2508 66.6649 14.0203 66.6649 -23.28 GPRESSAVG: 4387400 32.2438 -49.1772 16.9403 -47.5939 -29.811 66.5948 12.097 66.8787 -21.9812 TIMING: 4387400 CPU: 12701.5, 0.00288636/step Wall: 12701.5, 0.00288636/step, 0.491162 hours remaining, 209.921875 MB of memory in use. ENERGY: 4387400 735.5219 2114.6415 1941.2439 118.4785 -205738.0168 17659.4969 0.0000 0.0000 34560.1320 -148608.5022 301.8222 -183168.6342 -148511.9632 300.8329 -63.8471 -30.8638 557239.0144 -6.6696 -6.5161 PRESSURE: 4387600 235.185 -69.2257 138.108 -69.2246 -152.323 -16.0981 138.107 -16.0989 -179.142 GPRESSURE: 4387600 257.446 -127.045 100.179 -76.9248 -153.127 -7.86804 103.049 -24.5982 -103.427 PRESSAVG: 4387600 41.1473 -40.6109 -2.00455 -40.6109 -5.05906 25.0784 -2.00456 25.0782 -39.9094 GPRESSAVG: 4387600 42.4722 -39.3888 -5.92741 -41.3589 -6.68759 24.5995 -0.904187 24.1111 -40.8339 TIMING: 4387600 CPU: 12702, 0.00287533/step Wall: 12702, 0.00287533/step, 0.489125 hours remaining, 209.921875 MB of memory in use. ENERGY: 4387600 761.2956 2060.5387 1921.9705 108.2858 -205835.8038 17647.9131 0.0000 0.0000 34566.5573 -148769.2429 301.8783 -183335.8002 -148668.9420 300.8037 -32.0932 0.2976 556702.4465 -1.2737 -1.6831 PRESSURE: 4387800 -303.82 48.8677 -23.6515 48.8678 -108.118 -2.68542 -23.6517 -2.68535 -114.263 GPRESSURE: 4387800 -242.385 68.189 36.6319 -38.8827 -78.628 -27.6458 -37.5535 -36.7983 -117.14 PRESSAVG: 4387800 -22.6728 -7.5533 6.82931 -7.55321 77.0538 9.59197 6.82927 9.59197 -61.6415 GPRESSAVG: 4387800 -22.9891 -7.33537 8.15866 -8.16644 77.2115 7.38764 6.89397 10.9168 -61.8987 TIMING: 4387800 CPU: 12702.6, 0.00289078/step Wall: 12702.6, 0.00289078/step, 0.491593 hours remaining, 209.921875 MB of memory in use. ENERGY: 4387800 773.8159 2090.6500 1949.7216 106.3608 -205462.3566 17384.3430 0.0000 0.0000 34348.1330 -148809.3323 299.9708 -183157.4653 -148708.1860 300.1674 -175.4001 -146.0509 557208.1671 -2.4202 -2.5588 PRESSURE: 4388000 -120.877 115.551 -50.1032 115.55 -46.1491 177.622 -50.104 177.621 -119.227 GPRESSURE: 4388000 -60.9106 168.3 58.4574 81.3263 -28.4194 68.6065 -115.415 158.881 -90.2236 PRESSAVG: 4388000 0.430688 24.4079 -5.61268 24.4079 18.6898 -7.10497 -5.61275 -7.10508 -13.5208 GPRESSAVG: 4388000 1.29117 24.4292 -4.92524 24.2035 17.8371 -4.6443 -5.90724 -9.2477 -13.5574 TIMING: 4388000 CPU: 12703.2, 0.00288968/step Wall: 12703.2, 0.00288968/step, 0.491245 hours remaining, 209.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4388000 755.6543 2092.4447 1942.6390 110.4424 -205581.1689 17465.5405 0.0000 0.0000 34407.8326 -148806.6153 300.4922 -183214.4480 -148712.8486 299.4956 -95.4175 -59.8512 556794.3946 1.8665 1.8570 PRESSURE: 4388200 201.406 -49.0593 -20.1796 -49.0607 -323.903 132.252 -20.1793 132.251 -120.596 GPRESSURE: 4388200 208.529 -1.7151 20.7604 -44.2846 -253.489 113.19 -121.746 51.5622 -111.212 PRESSAVG: 4388200 64.6101 36.3289 10.6087 36.329 -29.7944 8.78896 10.6086 8.78889 23.3146 GPRESSAVG: 4388200 62.6228 35.0592 10.238 36.6647 -27.752 8.91754 12.3758 9.38974 23.4147 TIMING: 4388200 CPU: 12703.8, 0.00289177/step Wall: 12703.8, 0.00289177/step, 0.49144 hours remaining, 209.921875 MB of memory in use. ENERGY: 4388200 748.6268 2069.3421 1962.5269 112.5496 -205757.6321 17558.4706 0.0000 0.0000 34399.2180 -148906.8981 300.4169 -183306.1161 -148813.4980 300.0475 -81.0310 -52.0574 557986.8562 19.3768 19.4285 LDB: ============= START OF LOAD BALANCING ============== 12707.1 LDB: ============== END OF LOAD BALANCING =============== 12707.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12707.2 LDB: ============= START OF LOAD BALANCING ============== 12707.4 LDB: Largest compute 4773 load 0.027265 is 23.1% of average load 0.118066 LDB: Average compute 0.001735 is 1.5% of average load 0.118066 LDB: TIME 12707.4 LOAD: AVG 0.118066 MAX 0.176334 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.5 MB LDB: TIME 12707.4 LOAD: AVG 0.118066 MAX 0.176334 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.5 MB LDB: TIME 12707.4 LOAD: AVG 0.118066 MAX 0.176334 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12707.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12707.4 PRESSURE: 4388400 37.3084 -101.497 -37.3222 -101.496 167.407 87.0366 -37.3205 87.0374 49.8983 GPRESSURE: 4388400 63.5249 -114.523 -79.9872 -99.2892 253.85 44.5799 -29.582 49.9123 36.6477 PRESSAVG: 4388400 107.465 2.38221 -8.71949 2.3822 -33.701 15.6756 -8.71955 15.6756 -14.225 GPRESSAVG: 4388400 107.694 3.42663 -9.51531 2.04636 -33.9176 14.1014 -8.85663 15.6142 -14.1579 TIMING: 4388400 CPU: 12704.4, 0.00294995/step Wall: 12704.4, 0.00294995/step, 0.501163 hours remaining, 211.125000 MB of memory in use. ENERGY: 4388400 733.6360 2088.8797 1940.9565 121.3107 -206022.6271 17915.3533 0.0000 0.0000 34249.4289 -148973.0619 299.1088 -183222.4908 -148867.8509 300.1415 84.8711 118.0076 557855.8134 19.8463 19.8728 PRESSURE: 4388600 -5.84606 -33.3643 107.927 -33.363 -259.151 -109.903 107.927 -109.901 -367.32 GPRESSURE: 4388600 -51.3466 24.9555 210.179 -67.5062 -151.291 -155.339 31.1195 -34.1603 -319.746 PRESSAVG: 4388600 66.6881 -21.0203 -44.9142 -21.0203 -2.84866 -50.912 -44.9143 -50.912 -18.009 GPRESSAVG: 4388600 67.5161 -20.918 -42.9473 -19.7655 -3.71288 -50.3613 -46.5778 -50.3407 -18.0749 TIMING: 4388600 CPU: 12704.9, 0.00288368/step Wall: 12704.9, 0.00288368/step, 0.489745 hours remaining, 211.195312 MB of memory in use. ENERGY: 4388600 763.9161 2131.8195 1950.4130 116.9227 -205851.7471 17559.5049 0.0000 0.0000 34606.6881 -148722.4829 302.2288 -183329.1709 -148628.5478 300.7900 -210.7724 -174.1281 558494.0377 15.2768 15.2428 PRESSURE: 4388800 -80.125 -53.9373 -148.243 -53.9377 110.199 75.7825 -148.241 75.7824 -70.7199 GPRESSURE: 4388800 -102.245 -17.59 -153.981 -113.723 198.144 106.775 -159.735 74.2216 -34.9253 PRESSAVG: 4388800 20.0176 -25.0673 -10.1346 -25.0675 -5.49977 10.7023 -10.1345 10.7022 38.0614 GPRESSAVG: 4388800 20.7284 -27.6923 -12.4433 -24.42 -5.11999 9.99893 -8.58453 12.5871 37.7694 TIMING: 4388800 CPU: 12705.5, 0.00287191/step Wall: 12705.5, 0.00287191/step, 0.487587 hours remaining, 211.195312 MB of memory in use. ENERGY: 4388800 781.7739 2091.8832 1969.4634 117.7671 -205926.5398 17855.5243 0.0000 0.0000 34315.1923 -148794.9357 299.6831 -183110.1279 -148697.1873 300.3530 -13.5486 20.3248 558643.0583 17.5264 17.7926 PRESSURE: 4389000 -10.298 -2.87186 -55.3145 -2.87131 -179.394 117.224 -55.3145 117.224 -81.8033 GPRESSURE: 4389000 36.993 34.3152 -56.3505 8.20683 -145.2 34.1427 -26.6303 206.437 -60.4891 PRESSAVG: 4389000 27.4244 -13.5072 -21.475 -13.5073 0.657799 30.072 -21.475 30.072 -7.35083 GPRESSAVG: 4389000 27.5675 -12.9701 -19.1552 -15.606 0.867249 30.9889 -23.3293 29.1122 -8.0556 TIMING: 4389000 CPU: 12706.1, 0.00285092/step Wall: 12706.1, 0.00285092/step, 0.483864 hours remaining, 211.195312 MB of memory in use. ENERGY: 4389000 712.2125 2104.6677 1975.9865 121.9902 -205981.9985 17806.3251 0.0000 0.0000 34367.2825 -148893.5340 300.1380 -183260.8165 -148797.6137 300.1580 -90.4984 -56.2320 558550.3980 6.9105 6.7930 PRESSURE: 4389200 -74.8007 -23.46 60.1071 -23.4595 5.3494 -70.3803 60.107 -70.3807 -280.738 GPRESSURE: 4389200 -44.3225 -0.243109 107.715 -45.1771 47.8589 18.8364 57.9052 -28.9479 -254.505 PRESSAVG: 4389200 33.9473 -14.9954 -16.866 -14.9955 82.691 -1.97049 -16.8659 -1.97034 -65.1311 GPRESSAVG: 4389200 32.5347 -14.4527 -18.4704 -13.0716 82.9405 -1.96371 -16.6585 -2.12463 -63.6552 TIMING: 4389200 CPU: 12706.6, 0.00286253/step Wall: 12706.6, 0.00286253/step, 0.485677 hours remaining, 211.195312 MB of memory in use. ENERGY: 4389200 752.8626 2046.1855 1960.9804 132.4760 -206079.8239 17788.7205 0.0000 0.0000 34415.7201 -148982.8787 300.5610 -183398.5989 -148877.7069 299.8949 -116.7299 -83.6560 557380.1167 17.1691 17.2733 PRESSURE: 4389400 -24.6754 -155.704 -61.7141 -155.703 -162.47 92.0623 -61.7143 92.0623 -292.248 GPRESSURE: 4389400 -37.5203 -185.296 -92.3636 -148.6 -110.445 52.4123 -47.0696 101.539 -250.005 PRESSAVG: 4389400 -15.099 19.7801 27.783 19.7801 91.6797 -4.87822 27.783 -4.87829 -68.0164 GPRESSAVG: 4389400 -13.3807 18.8537 27.9472 18.5603 90.9136 -5.33661 27.9025 -6.41924 -68.949 TIMING: 4389400 CPU: 12707.2, 0.0028657/step Wall: 12707.2, 0.0028657/step, 0.486055 hours remaining, 211.195312 MB of memory in use. ENERGY: 4389400 760.3485 2077.4172 1962.8394 115.2452 -206038.5523 17705.9083 0.0000 0.0000 34515.5222 -148901.2716 301.4326 -183416.7937 -148801.6598 299.8883 -159.7978 -132.6569 557722.8479 2.8548 2.8613 PRESSURE: 4389600 91.1893 -4.2579 274.934 -4.25825 377.576 -125.241 274.935 -125.241 160.035 GPRESSURE: 4389600 116.141 -29.9327 291.051 -49.1103 364.746 -78.8018 223.088 -78.3631 238.55 PRESSAVG: 4389600 -2.1944 -3.82282 11.8742 -3.82276 69.6339 5.67434 11.8742 5.67421 -61.2313 GPRESSAVG: 4389600 -2.98181 -1.23078 12.2601 -3.25102 69.4552 5.20238 10.8816 7.79014 -60.2382 TIMING: 4389600 CPU: 12707.8, 0.00285038/step Wall: 12707.8, 0.00285038/step, 0.483297 hours remaining, 211.195312 MB of memory in use. ENERGY: 4389600 722.3788 2150.0726 1950.5902 110.4523 -205868.0519 17914.2108 0.0000 0.0000 34228.8853 -148791.4619 298.9294 -183020.3472 -148695.9358 300.2522 209.6003 239.8122 556066.7270 2.0694 2.0784 PRESSURE: 4389800 273.872 86.2491 -25.5483 86.249 -5.90956 -26.1035 -25.5481 -26.1042 88.0739 GPRESSURE: 4389800 254.488 130.74 -106.281 66.0181 44.8723 -63.66 87.2247 49.069 145.108 PRESSAVG: 4389800 -88.2617 -67.8606 14.2116 -67.8606 69.0368 1.67123 14.2117 1.67127 -7.89996 GPRESSAVG: 4389800 -88.1628 -69.4273 15.1404 -68.3642 69.7008 2.84264 13.5525 -0.279436 -8.06013 TIMING: 4389800 CPU: 12708.4, 0.00287151/step Wall: 12708.4, 0.00287151/step, 0.486721 hours remaining, 211.195312 MB of memory in use. ENERGY: 4389800 751.0863 2053.5654 1967.6084 138.1916 -206009.9734 17682.8827 0.0000 0.0000 34475.2073 -148941.4317 301.0806 -183416.6390 -148855.7461 299.9399 118.6787 148.1559 556408.1423 -9.0416 -8.8407 PRESSURE: 4390000 -29.9749 -5.09527 119.231 -5.09409 -46.7223 -77.8051 119.23 -77.8067 105.096 GPRESSURE: 4390000 24.2194 -43.9307 51.4894 3.92832 31.3434 -28.56 158.316 26.7605 77.7137 PRESSAVG: 4390000 -75.7903 1.47824 -4.8078 1.4782 24.3927 23.8878 -4.80782 23.8878 71.8225 GPRESSAVG: 4390000 -77.0101 2.14089 -5.3559 0.861795 24.3803 23.582 -4.61531 25.6151 72.6522 TIMING: 4390000 CPU: 12708.9, 0.00288216/step Wall: 12708.9, 0.00288216/step, 0.488366 hours remaining, 211.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4390000 703.9399 2151.2563 1968.5869 108.9656 -206087.9219 17728.0374 0.0000 0.0000 34415.4776 -149011.6582 300.5589 -183427.1358 -148913.6458 300.0287 9.4662 44.4255 558126.6948 6.8083 6.6741 PRESSURE: 4390200 -42.1068 -6.73962 -23.2269 -6.74009 -213.646 -89.4091 -23.2278 -89.4087 -278.109 GPRESSURE: 4390200 -49.5568 28.9841 -3.35063 -52.7551 -177.673 -24.3533 -57.7675 -137.395 -221.453 PRESSAVG: 4390200 25.174 40.9936 16.6194 40.9936 6.54774 13.7933 16.6195 13.7933 -42.2719 GPRESSAVG: 4390200 26.6125 40.5338 15.526 41.8865 5.59454 15.1981 16.7106 12.4037 -43.2059 TIMING: 4390200 CPU: 12709.5, 0.00287108/step Wall: 12709.5, 0.00287108/step, 0.48633 hours remaining, 211.195312 MB of memory in use. ENERGY: 4390200 795.3246 2081.0507 1979.5039 124.8363 -206016.0296 17682.3915 0.0000 0.0000 34404.9800 -148947.9424 300.4672 -183352.9225 -148845.6174 300.0148 -177.9537 -149.5609 559207.1067 -3.5167 -3.6663 PRESSURE: 4390400 32.4256 -191.725 -106.905 -191.724 -57.4545 110.883 -106.906 110.883 -227.219 GPRESSURE: 4390400 56.6695 -85.1196 -143.505 -182.17 11.3934 113.004 -56.551 108.578 -228.422 PRESSAVG: 4390400 28.6892 -39.6387 16.6915 -39.6388 5.45053 -3.33068 16.6915 -3.33056 -77.4832 GPRESSAVG: 4390400 27.7844 -39.631 17.7261 -40.2806 6.1331 -4.23722 17.8737 -2.69426 -77.2821 TIMING: 4390400 CPU: 12710.1, 0.00287435/step Wall: 12710.1, 0.00287435/step, 0.486724 hours remaining, 211.195312 MB of memory in use. ENERGY: 4390400 737.9918 2114.9661 1952.9558 115.9577 -206042.4562 17709.2601 0.0000 0.0000 34357.8527 -149053.4721 300.0557 -183411.3248 -148958.7627 300.1866 -84.0826 -53.4530 558237.4993 -14.4478 -14.4549 PRESSURE: 4390600 -145.557 -83.4878 243.288 -83.4875 10.3551 -101.299 243.288 -101.298 -343.354 GPRESSURE: 4390600 -105.542 -111.38 277.579 -64.0684 9.54301 -46.1767 179.468 -146.852 -282.095 PRESSAVG: 4390600 42.6545 20.7712 11.549 20.7712 31.6329 -10.8651 11.549 -10.865 -88.6792 GPRESSAVG: 4390600 43.1405 20.6747 8.6098 22.0264 30.8303 -10.9813 12.0075 -9.25864 -88.4207 TIMING: 4390600 CPU: 12710.7, 0.00286598/step Wall: 12710.7, 0.00286598/step, 0.485146 hours remaining, 211.195312 MB of memory in use. ENERGY: 4390600 746.0668 2117.4063 1950.2717 116.5220 -205851.5750 17539.8355 0.0000 0.0000 34374.1721 -149007.3006 300.1982 -183381.4727 -148913.5510 299.7789 -159.5188 -126.0315 558206.6525 -4.7973 -4.8167 PRESSURE: 4390800 -249.194 79.207 95.6932 79.2071 -158.638 25.6354 95.6933 25.6361 77.845 GPRESSURE: 4390800 -213.969 174.187 102.769 75.9437 -104.546 23.2627 79.3259 34.4746 95.2663 PRESSAVG: 4390800 -3.64425 -10.1328 5.55343 -10.1329 -34.0844 -26.1894 5.55351 -26.1893 36.3668 GPRESSAVG: 4390800 -4.89535 -11.1801 7.32102 -10.5272 -34.504 -27.3913 5.27315 -26.5658 37.6504 TIMING: 4390800 CPU: 12711.2, 0.00287433/step Wall: 12711.2, 0.00287433/step, 0.486401 hours remaining, 211.195312 MB of memory in use. ENERGY: 4390800 731.5187 2123.5517 1934.6452 118.2105 -205887.4571 17602.0775 0.0000 0.0000 34411.8655 -148965.5880 300.5274 -183377.4535 -148872.6780 299.8638 -109.9957 -74.4164 556913.7182 -0.4540 -0.5830 PRESSURE: 4391000 -81.0922 -99.299 -65.8475 -99.2986 49.5028 -40.7046 -65.8481 -40.7051 78.863 GPRESSURE: 4391000 -74.4673 -26.3642 -51.0435 -74.9181 103.223 -52.226 -37.3312 36.2458 116.924 PRESSAVG: 4391000 -74.0078 -62.7036 20.4533 -62.7037 6.69679 75.2095 20.4532 75.2095 81.603 GPRESSAVG: 4391000 -73.2471 -62.4681 19.3859 -62.4512 7.38233 75.691 22.2751 75.2907 79.7088 TIMING: 4391000 CPU: 12711.8, 0.00287455/step Wall: 12711.8, 0.00287455/step, 0.486278 hours remaining, 211.195312 MB of memory in use. ENERGY: 4391000 751.8416 2100.5509 1933.5148 108.0733 -206112.5796 17876.6890 0.0000 0.0000 34350.3801 -148991.5299 299.9904 -183341.9100 -148905.7251 299.9639 15.7579 48.5598 556753.1404 4.7640 4.6147 PRESSURE: 4391200 0.367278 12.5587 17.6619 12.5582 -110.11 -122.421 17.6619 -122.42 -164.629 GPRESSURE: 4391200 31.2012 57.0998 -47.9769 77.2208 -75.9487 -82.7125 41.0337 -99.5345 -141.315 PRESSAVG: 4391200 6.08299 -49.1914 5.75761 -49.1915 38.5216 45.7545 5.75766 45.7545 -36.5913 GPRESSAVG: 4391200 5.92911 -49.6219 6.04506 -48.1399 38.6878 45.5406 3.18469 44.4582 -36.2731 TIMING: 4391200 CPU: 12712.4, 0.00288323/step Wall: 12712.4, 0.00288323/step, 0.487586 hours remaining, 211.195312 MB of memory in use. ENERGY: 4391200 783.1344 2079.6571 1924.3839 115.3278 -206102.7160 17609.4260 0.0000 0.0000 34348.4369 -149242.3499 299.9734 -183590.7868 -149138.0768 300.0012 -91.4573 -62.0207 557250.0217 2.6711 2.7812 PRESSURE: 4391400 -257.338 56.9118 -105.354 56.9129 134.609 -142.612 -105.354 -142.613 2.76083 GPRESSURE: 4391400 -241.86 83.6835 -115.817 11.4446 172.818 -147.821 -116.809 -158.628 44.3115 PRESSAVG: 4391400 24.7434 -48.4923 21.9163 -48.4923 -18.3506 27.0302 21.9163 27.0303 75.004 GPRESSAVG: 4391400 25.4718 -49.4189 22.1984 -48.378 -18.5146 26.6282 21.0145 28.4351 74.4931 TIMING: 4391400 CPU: 12713, 0.00285038/step Wall: 12713, 0.00285038/step, 0.481872 hours remaining, 211.195312 MB of memory in use. ENERGY: 4391400 781.5651 2067.3750 1945.8217 113.7603 -205787.0906 17616.7503 0.0000 0.0000 34119.8007 -149142.0176 297.9767 -183261.8182 -149047.5907 299.4540 -39.9896 -8.2435 557190.9393 27.1323 27.1501 PRESSURE: 4391600 117.314 61.8342 -49.4845 61.835 -225.479 146.53 -49.4849 146.531 -11.4222 GPRESSURE: 4391600 140.918 23.1059 -9.06041 17.598 -134.89 134.199 -69.1094 162.419 -40.339 PRESSAVG: 4391600 42.8578 7.15695 -6.9016 7.15692 -19.3795 -17.347 -6.90164 -17.347 -32.8591 GPRESSAVG: 4391600 41.8353 9.25689 -7.87231 5.43527 -19.0832 -16.6463 -4.0397 -18.3616 -32.3472 TIMING: 4391600 CPU: 12713.5, 0.00286385/step Wall: 12713.5, 0.00286385/step, 0.48399 hours remaining, 211.195312 MB of memory in use. ENERGY: 4391600 744.7343 2047.9943 1943.8868 113.6965 -206060.7418 17735.8109 0.0000 0.0000 34109.9793 -149364.6398 297.8909 -183474.6191 -149263.1191 298.4124 -39.8626 -11.4371 556713.0197 -3.1269 -3.1984 PRESSURE: 4391800 -289.786 146.346 119.889 146.346 -171.994 -140.537 119.888 -140.538 156.066 GPRESSURE: 4391800 -185.102 113.207 113.688 264.489 -135.214 -224.65 126.498 -92.8436 120.684 PRESSAVG: 4391800 -33.6208 14.7392 51.143 14.7392 -7.71295 5.33317 51.143 5.33325 26.9055 GPRESSAVG: 4391800 -33.0328 13.1919 53.1072 17.4689 -7.61863 5.02031 50.4569 6.0802 26.3269 TIMING: 4391800 CPU: 12714.1, 0.00288662/step Wall: 12714.1, 0.00288662/step, 0.487678 hours remaining, 211.195312 MB of memory in use. ENERGY: 4391800 767.5889 2083.7056 1956.3746 112.8262 -206223.8415 17811.5991 0.0000 0.0000 34247.3362 -149244.4109 299.0905 -183491.7471 -149147.4816 298.4427 -101.9050 -66.5443 556934.8506 -4.8094 -4.7749 PRESSURE: 4392000 62.3904 -9.53372 47.7127 -9.53386 -201.113 42.8572 47.7136 42.8551 -209.278 GPRESSURE: 4392000 136.626 39.9606 15.4198 -58.9722 -175.02 53.3979 -18.2578 19.0538 -200.23 PRESSAVG: 4392000 -33.0522 6.34713 12.6135 6.34712 -5.42511 21.245 12.6135 21.2451 -0.847934 GPRESSAVG: 4392000 -33.0535 7.46584 12.7243 3.52991 -4.48101 19.5723 9.48258 21.5371 -1.35469 TIMING: 4392000 CPU: 12714.7, 0.00287902/step Wall: 12714.7, 0.00287902/step, 0.486235 hours remaining, 211.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4392000 732.7494 2100.0226 1978.3038 113.8146 -206212.1751 17641.3390 0.0000 0.0000 34300.2928 -149345.6529 299.5530 -183645.9457 -149254.9731 299.3314 -116.0003 -79.5411 557484.1759 -13.1084 -12.9631 PRESSURE: 4392200 -37.1996 22.6221 -157.953 22.6209 -75.4187 -56.0323 -157.954 -56.0321 -117.802 GPRESSURE: 4392200 11.8521 -30.5373 -190.906 8.2051 -42.5188 -125.057 -123.231 4.60696 -106.113 PRESSAVG: 4392200 45.2778 -12.4901 8.33797 -12.4901 21.1775 -11.7725 8.33799 -11.7724 -38.3142 GPRESSAVG: 4392200 45.2834 -13.6314 7.75582 -10.775 20.4969 -11.3775 12.4584 -14.2383 -37.6839 TIMING: 4392200 CPU: 12715.3, 0.00287909/step Wall: 12715.3, 0.00287909/step, 0.486086 hours remaining, 211.195312 MB of memory in use. ENERGY: 4392200 732.0528 2076.4652 1941.9904 133.3051 -206081.9277 17707.0979 0.0000 0.0000 34144.1032 -149346.9131 298.1889 -183491.0164 -149248.7346 299.2676 -76.8066 -45.5934 557294.0004 9.3804 9.3655 LDB: ============= START OF LOAD BALANCING ============== 12718.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12718.6 LDB: =============== DONE WITH MIGRATION ================ 12718.6 LDB: ============= START OF LOAD BALANCING ============== 12718.9 LDB: Largest compute 4773 load 0.027131 is 23.0% of average load 0.118144 LDB: Average compute 0.001731 is 1.5% of average load 0.118144 LDB: TIME 12718.9 LOAD: AVG 0.118144 MAX 0.180236 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.645 MB LDB: TIME 12718.9 LOAD: AVG 0.118144 MAX 0.180236 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.684 MB LDB: TIME 12718.9 LOAD: AVG 0.118144 MAX 0.180236 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.684 MB LDB: ============== END OF LOAD BALANCING =============== 12718.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12718.9 PRESSURE: 4392400 -284.383 -148.862 -43.9482 -148.863 -27.7003 -53.5342 -43.9494 -53.534 -48.3641 GPRESSURE: 4392400 -226.103 -136.807 59.4432 -227.921 -20.2779 -48.0333 -100.12 -26.7325 -20.4087 PRESSAVG: 4392400 -62.2891 -6.52146 63.9075 -6.52147 23.7879 -1.50238 63.9075 -1.50238 67.771 GPRESSAVG: 4392400 -62.8307 -6.46385 64.8846 -7.5202 23.1632 -1.58019 62.6948 -1.60001 68.3688 TIMING: 4392400 CPU: 12715.9, 0.00294315/step Wall: 12715.9, 0.00294315/step, 0.496738 hours remaining, 212.667969 MB of memory in use. ENERGY: 4392400 709.4197 2054.6776 1969.5709 116.8385 -206043.6879 17508.8587 0.0000 0.0000 34246.9855 -149437.3371 299.0874 -183684.3226 -149337.9790 298.8189 -120.1490 -88.9297 556980.9628 9.7566 9.5671 PRESSURE: 4392600 -267.28 49.1201 48.6626 49.1223 -82.2949 -155.555 48.663 -155.555 -165.744 GPRESSURE: 4392600 -263.205 47.0107 129.635 48.9338 5.06779 -112.728 -3.3612 -167.476 -150.916 PRESSAVG: 4392600 -1.9497 -19.2946 132.654 -19.2946 -29.7562 32.0738 132.654 32.0738 52.5697 GPRESSAVG: 4392600 -2.45417 -17.6615 132.768 -20.06 -28.7037 33.2379 133.702 33.4174 52.1836 TIMING: 4392600 CPU: 12716.4, 0.00288089/step Wall: 12716.4, 0.00288089/step, 0.486069 hours remaining, 212.667969 MB of memory in use. ENERGY: 4392600 753.6756 2078.8409 1955.9250 118.0830 -206107.1923 17632.4415 0.0000 0.0000 34241.2511 -149326.9751 299.0374 -183568.2262 -149234.3373 299.6340 -171.7729 -136.3511 556779.9115 6.9546 7.0086 PRESSURE: 4392800 -37.4534 -107.344 -84.8757 -107.344 -138.957 -145.192 -84.8761 -145.191 -267.953 GPRESSURE: 4392800 -15.5786 -159.013 -105.515 -77.0195 -60.8814 -140.935 -102.402 -117.233 -258.806 PRESSAVG: 4392800 -85.7883 -12.4503 51.6102 -12.4503 43.8867 -1.72231 51.61 -1.72223 52.4276 GPRESSAVG: 4392800 -85.1754 -14.4991 51.6856 -10.8814 43.8345 -1.68302 50.6251 -1.28123 51.5562 TIMING: 4392800 CPU: 12717, 0.00286131/step Wall: 12717, 0.0028613/step, 0.482607 hours remaining, 212.667969 MB of memory in use. ENERGY: 4392800 780.8281 2084.4498 1965.5910 117.0176 -206189.2990 17723.1861 0.0000 0.0000 34315.7615 -149202.4649 299.6881 -183518.2264 -149107.3751 299.6054 -148.1211 -111.7553 558464.2805 3.5087 3.4051 PRESSURE: 4393000 -136.596 -26.8366 59.3239 -26.8378 -22.9675 -46.7255 59.3243 -46.7244 96.3646 GPRESSURE: 4393000 -81.673 -54.9577 57.4525 -61.001 -5.2133 64.3642 54.7646 -97.5652 126.421 PRESSAVG: 4393000 5.20517 -52.3566 4.98139 -52.3567 -11.0539 9.23614 4.98133 9.2363 -2.38207 GPRESSAVG: 4393000 4.64405 -51.893 5.65488 -52.3954 -9.56482 10.0628 4.66603 8.47658 -2.65011 TIMING: 4393000 CPU: 12717.6, 0.00287167/step Wall: 12717.6, 0.00287167/step, 0.484195 hours remaining, 212.667969 MB of memory in use. ENERGY: 4393000 780.4400 2090.9753 1992.2778 126.6919 -206133.3946 17763.8103 0.0000 0.0000 34202.5207 -149176.6787 298.6991 -183379.1994 -149082.7979 299.6856 -21.0662 13.1783 557020.8754 -2.7436 -2.5236 PRESSURE: 4393200 96.79 155.807 -51.3772 155.806 -43.4941 -68.2329 -51.3783 -68.233 263.74 GPRESSURE: 4393200 107.928 167.345 -154.104 191.336 26.9963 -103.313 -7.38034 -91.5498 264.606 PRESSAVG: 4393200 20.7931 80.5016 52.8582 80.5016 15.2295 -68.018 52.8581 -68.018 -14.4031 GPRESSAVG: 4393200 20.4924 80.7366 50.3878 80.438 15.3967 -69.5586 54.8511 -68.7641 -14.6661 TIMING: 4393200 CPU: 12718.2, 0.0028891/step Wall: 12718.2, 0.0028891/step, 0.486974 hours remaining, 212.667969 MB of memory in use. ENERGY: 4393200 748.6117 2089.5008 1949.5809 103.4581 -206300.2156 17820.7809 0.0000 0.0000 34277.6741 -149310.6090 299.3555 -183588.2831 -149214.1622 299.0308 105.6786 133.1766 557551.6987 7.2065 7.0743 PRESSURE: 4393400 278.269 18.2375 168.449 18.2382 201.976 85.5544 168.449 85.5545 54.8483 GPRESSURE: 4393400 321.48 -24.8081 84.3192 -65.2923 183.893 88.2403 186.105 108.433 136.224 PRESSAVG: 4393400 53.4465 10.5781 28.5698 10.5782 32.0535 19.8737 28.5698 19.8736 -34.7696 GPRESSAVG: 4393400 53.8807 9.47711 30.4276 11.1433 30.431 21.0361 28.492 18.135 -33.734 TIMING: 4393400 CPU: 12718.7, 0.00287544/step Wall: 12718.7, 0.00287544/step, 0.484512 hours remaining, 212.667969 MB of memory in use. ENERGY: 4393400 722.2274 2131.6685 1951.3923 107.4378 -206647.8690 18047.2049 0.0000 0.0000 34451.6464 -149236.2917 300.8748 -183687.9380 -149144.0497 299.2311 178.3643 213.8659 556021.8587 16.9101 16.8592 PRESSURE: 4393600 71.5843 -43.1279 -111.382 -43.1269 321.123 -27.1979 -111.382 -27.1985 33.2353 GPRESSURE: 4393600 129.97 -26.7783 -64.4585 -63.9325 345.148 -14.4539 -171.818 24.8953 49.3417 PRESSAVG: 4393600 71.9676 -28.4905 33.7892 -28.4905 42.6565 12.1724 33.7892 12.1724 -82.0664 GPRESSAVG: 4393600 72.7289 -27.6193 33.0282 -27.9411 42.8627 9.21698 33.0629 16.204 -82.5012 TIMING: 4393600 CPU: 12719.3, 0.00285967/step Wall: 12719.3, 0.00285967/step, 0.481696 hours remaining, 212.667969 MB of memory in use. ENERGY: 4393600 733.4311 2115.4022 1935.0243 118.1353 -206536.8956 18021.1391 0.0000 0.0000 34454.2969 -149159.4667 300.8979 -183613.7636 -149065.6445 299.7975 141.9810 174.8199 556635.0985 10.8526 11.0301 PRESSURE: 4393800 270.689 143.169 134.482 143.169 161.396 69.0501 134.482 69.05 -155.24 GPRESSURE: 4393800 277.871 210.526 254.664 192.916 193.981 117.971 103.423 78.1014 -101.839 PRESSAVG: 4393800 -18.5553 26.2623 32.5146 26.2624 -61.5655 15.7817 32.5145 15.7816 50.1606 GPRESSAVG: 4393800 -19.1477 26.6073 32.7176 24.9664 -61.9486 17.3211 32.8022 13.9392 50.6802 TIMING: 4393800 CPU: 12719.9, 0.00287937/step Wall: 12719.9, 0.00287937/step, 0.484854 hours remaining, 212.667969 MB of memory in use. ENERGY: 4393800 715.3580 2060.5695 1947.6756 114.8662 -206463.2758 17842.2990 0.0000 0.0000 34534.2009 -149248.3066 301.5958 -183782.5075 -149153.9511 299.5937 92.2816 123.3376 556563.9870 -9.9868 -10.1387 PRESSURE: 4394000 -90.6089 100.601 -9.22319 100.601 -5.10004 138.005 -9.22302 138.005 -281.157 GPRESSURE: 4394000 -69.754 101.74 -60.5307 117.79 -14.7739 139.601 28.0735 184.797 -194.318 PRESSAVG: 4394000 5.80462 69.0666 26.6772 69.0665 -18.1855 25.315 26.6772 25.315 53.3714 GPRESSAVG: 4394000 5.50081 69.4666 26.6147 68.4591 -16.9027 25.5767 26.6609 27.0256 51.6181 TIMING: 4394000 CPU: 12720.5, 0.00287969/step Wall: 12720.5, 0.00287969/step, 0.484748 hours remaining, 212.667969 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: 4394000 758.4745 2102.8206 1926.0571 111.5396 -206398.4374 17839.5146 0.0000 0.0000 34288.5701 -149371.4609 299.4506 -183660.0310 -149272.1485 299.2617 -125.6218 -92.9485 557010.6903 13.6635 13.4054 PRESSURE: 4394200 -133.239 14.0642 -276.659 14.0653 323.894 -192.023 -276.658 -192.022 42.423 GPRESSURE: 4394200 -26.5755 48.8576 -266.687 -53.0759 299.385 -108.178 -251.397 -220.41 61.6642 PRESSAVG: 4394200 -46.5353 -8.21462 6.33255 -8.2147 37.8492 47.6354 6.33263 47.6353 2.91105 GPRESSAVG: 4394200 -45.6959 -8.01933 7.07519 -7.05672 37.1917 45.5229 4.51003 46.2425 2.45436 TIMING: 4394200 CPU: 12721, 0.00288529/step Wall: 12721, 0.00288529/step, 0.485531 hours remaining, 212.667969 MB of memory in use. ENERGY: 4394200 750.9016 2063.0847 1925.1787 112.8557 -206425.2221 17860.5772 0.0000 0.0000 34218.7244 -149493.8999 298.8406 -183712.6243 -149398.5612 299.1675 77.6929 111.4911 556307.7374 -1.9250 -2.0166 PRESSURE: 4394400 11.4996 130.919 -56.654 130.917 181.783 -108.61 -56.6546 -108.61 -131.998 GPRESSURE: 4394400 72.5401 88.8776 -85.6418 234.98 223.966 -86.4562 -14.9363 -70.5419 -137.587 PRESSAVG: 4394400 -11.5538 -28.0518 6.27018 -28.0517 49.2098 -15.1025 6.27012 -15.1026 -16.3712 GPRESSAVG: 4394400 -11.0367 -29.4322 4.94973 -27.1878 48.3043 -14.044 7.50106 -13.6498 -15.4497 TIMING: 4394400 CPU: 12721.6, 0.00287372/step Wall: 12721.6, 0.00287372/step, 0.483423 hours remaining, 212.667969 MB of memory in use. ENERGY: 4394400 732.8671 2080.1265 1948.2355 109.2302 -206688.8654 18112.9999 0.0000 0.0000 34114.1237 -149591.2825 297.9271 -183705.4062 -149497.8291 298.3537 20.4283 52.9732 557552.3709 7.0949 7.2726 PRESSURE: 4394600 52.5249 -44.5396 -201.263 -44.5395 -114.025 -155.07 -201.264 -155.069 137.877 GPRESSURE: 4394600 72.6433 -58.5346 -142.017 -106.06 -73.5319 -131.661 -278.612 -84.0829 183.737 PRESSAVG: 4394600 16.6623 -5.63331 -50.8591 -5.63336 -44.0723 -42.2437 -50.8592 -42.2438 46.4861 GPRESSAVG: 4394600 16.5452 -4.50383 -50.0759 -10.1005 -43.2907 -41.222 -50.3731 -43.6727 46.483 TIMING: 4394600 CPU: 12722.2, 0.00287264/step Wall: 12722.2, 0.00287264/step, 0.483082 hours remaining, 212.667969 MB of memory in use. ENERGY: 4394600 740.9436 2027.6847 1975.3440 109.9792 -206255.2192 17787.3491 0.0000 0.0000 33977.2376 -149636.6812 296.7317 -183613.9187 -149535.8936 297.6237 25.4591 60.9495 557798.9572 6.3587 6.5792 PRESSURE: 4394800 84.6835 -65.9138 -49.1477 -65.9131 -23.0632 90.7011 -49.148 90.7031 -44.9334 GPRESSURE: 4394800 141.68 -94.0418 -105.564 38.0744 -7.60188 41.1246 -71.0167 97.2928 -13.2169 PRESSAVG: 4394800 45.1616 -7.58838 -61.4617 -7.58838 -32.1325 -35.5018 -61.4618 -35.5018 -4.45053 GPRESSAVG: 4394800 44.9142 -8.17172 -61.8499 -6.14602 -33.1697 -37.0874 -61.284 -34.4676 -3.75467 TIMING: 4394800 CPU: 12722.8, 0.00287651/step Wall: 12722.8, 0.00287651/step, 0.483574 hours remaining, 212.667969 MB of memory in use. ENERGY: 4394800 728.3860 2096.1985 1950.2038 116.2325 -206508.0822 18009.2303 0.0000 0.0000 34056.2713 -149551.5598 297.4219 -183607.8311 -149454.7265 298.6029 5.5623 40.2871 558251.5780 2.8595 2.6633 PRESSURE: 4395000 72.1759 -60.3125 -34.8996 -60.3112 -189.367 59.5263 -34.8997 59.5249 63.6919 GPRESSURE: 4395000 132.432 -46.7825 44.27 -90.0264 -150.165 19.2678 -84.3214 63.3034 43.382 PRESSAVG: 4395000 52.6109 -34.4257 -22.521 -34.4257 2.15862 6.51573 -22.5209 6.51586 -55.2694 GPRESSAVG: 4395000 53.3989 -34.9288 -23.2134 -35.0399 3.45644 7.5494 -20.6838 4.63654 -57.3272 TIMING: 4395000 CPU: 12723.3, 0.00287503/step Wall: 12723.3, 0.00287503/step, 0.483165 hours remaining, 212.667969 MB of memory in use. ENERGY: 4395000 771.5024 2107.7469 1947.1799 111.8524 -206715.6107 17847.8762 0.0000 0.0000 34381.2824 -149548.1705 300.2603 -183929.4529 -149450.2078 297.8891 -17.8331 8.5496 556502.5558 -0.1666 -0.1573 PRESSURE: 4395200 193.316 -179.69 -55.0818 -179.691 98.0156 -101.104 -55.0819 -101.105 176.931 GPRESSURE: 4395200 168.783 -171.038 18.9052 -188.025 165.583 -105.383 -50.5757 -34.9714 243.509 PRESSAVG: 4395200 1.88312 -19.9629 13.1616 -19.9628 -19.4936 37.1721 13.1617 37.172 -1.66594 GPRESSAVG: 4395200 0.772546 -18.9344 16.4468 -18.9772 -19.9807 36.3778 10.8827 40.2416 0.124828 TIMING: 4395200 CPU: 12723.9, 0.0028956/step Wall: 12723.9, 0.0028956/step, 0.486461 hours remaining, 212.667969 MB of memory in use. ENERGY: 4395200 751.1040 2054.3715 1939.0608 116.5387 -206742.1619 18050.7114 0.0000 0.0000 34340.1879 -149490.1877 299.9014 -183830.3755 -149400.6632 298.7926 156.0875 192.6250 556645.6306 -6.4255 -6.3611 PRESSURE: 4395400 111.01 -36.4066 -20.8202 -36.4065 67.1075 123.666 -20.8198 123.667 -181.356 GPRESSURE: 4395400 159.738 -33.5152 83.6935 -112.471 87.8124 67.643 -67.1781 224.932 -164.154 PRESSAVG: 4395400 -3.83397 -27.8518 4.29804 -27.8518 -14.452 17.2328 4.29804 17.2327 -35.9543 GPRESSAVG: 4395400 -4.43378 -29.2053 4.52061 -27.6558 -13.3479 18.1587 3.51845 15.5164 -36.3903 TIMING: 4395400 CPU: 12724.5, 0.00287456/step Wall: 12724.5, 0.00287456/step, 0.482767 hours remaining, 212.667969 MB of memory in use. ENERGY: 4395400 757.9740 2107.9765 1941.7577 123.9425 -206902.5604 18144.5054 0.0000 0.0000 34385.6481 -149440.7562 300.2984 -183826.4044 -149340.3198 299.3135 -1.0796 27.7986 557396.5859 -18.0801 -18.0573 PRESSURE: 4395600 -47.7561 33.9019 -76.7169 33.9024 12.6729 9.5745 -76.7165 9.57545 -80.87 GPRESSURE: 4395600 -11.2477 118.129 -28.5723 -30.2349 64.1409 -40.6978 -65.9466 48.2719 -76.2718 PRESSAVG: 4395600 -13.8423 -4.47823 31.9925 -4.47831 31.8584 2.90004 31.9926 2.89999 -10.9395 GPRESSAVG: 4395600 -13.3378 -4.24953 30.9147 -4.25232 32.0908 3.12992 32.1532 2.88597 -11.45 TIMING: 4395600 CPU: 12725.1, 0.00287356/step Wall: 12725.1, 0.00287356/step, 0.482438 hours remaining, 212.667969 MB of memory in use. ENERGY: 4395600 782.2802 2146.5863 1945.2136 100.2397 -205980.2324 17782.4471 0.0000 0.0000 34120.8716 -149102.5941 297.9861 -183223.4656 -149009.6081 299.3056 -38.6511 -7.7929 559233.9769 2.3589 2.4343 PRESSURE: 4395800 136.3 62.5146 -102.675 62.5152 107.013 24.8434 -102.676 24.8433 -26.7768 GPRESSURE: 4395800 113.789 106.178 -146.625 89.2592 197.431 58.1085 -56.1565 -58.198 6.21488 PRESSAVG: 4395800 -25.511 39.6693 -10.5655 39.6693 14.4715 13.5712 -10.5655 13.5712 -50.5978 GPRESSAVG: 4395800 -24.4552 40.6102 -10.0668 37.2237 13.9066 13.6916 -10.1095 10.3717 -50.8868 TIMING: 4395800 CPU: 12725.6, 0.00286313/step Wall: 12725.6, 0.00286313/step, 0.480528 hours remaining, 212.667969 MB of memory in use. ENERGY: 4395800 762.3042 2115.1245 1953.2921 107.2315 -206230.0490 17878.4629 0.0000 0.0000 34230.0802 -149183.5537 298.9398 -183413.6339 -149083.0821 298.8833 72.1789 105.8119 556556.2701 -20.5458 -20.4784 PRESSURE: 4396000 28.1866 -29.4405 10.2412 -29.4402 -173.283 112.97 10.2409 112.969 7.04105 GPRESSURE: 4396000 101.406 -34.0344 102.507 40.7552 -201.082 101.374 -43.8944 114.993 54.4708 PRESSAVG: 4396000 -0.520552 42.9264 10.8261 42.9265 -34.8587 -0.592626 10.8261 -0.592568 11.5903 GPRESSAVG: 4396000 -0.793707 44.2652 8.26618 44.0361 -33.6242 -2.57407 12.9878 0.846908 10.8894 TIMING: 4396000 CPU: 12726.2, 0.00286078/step Wall: 12726.2, 0.00286078/step, 0.479975 hours remaining, 212.667969 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: 4396000 743.1027 2112.0562 1923.4448 104.1404 -206371.4773 17793.7165 0.0000 0.0000 34460.8142 -149234.2025 300.9549 -183695.0168 -149139.9248 298.8946 -46.0186 -15.0686 557820.8298 -7.9296 -7.8428 PRESSURE: 4396200 194.081 92.4163 -48.022 92.4159 107.458 -129.218 -48.023 -129.217 -81.1654 GPRESSURE: 4396200 225.051 -31.7422 -98.8915 183.258 166.437 2.2524 25.9449 -137.143 -56.2722 PRESSAVG: 4396200 28.0228 29.1213 7.68476 29.1213 26.5677 21.7422 7.68477 21.7422 -51.8771 GPRESSAVG: 4396200 28.5858 26.9707 9.03561 29.6895 25.3447 22.6648 5.8352 20.3264 -51.5277 TIMING: 4396200 CPU: 12726.8, 0.00285635/step Wall: 12726.8, 0.00285635/step, 0.479074 hours remaining, 212.667969 MB of memory in use. ENERGY: 4396200 726.0578 2092.1607 1952.1356 113.1687 -206464.0473 18000.1390 0.0000 0.0000 34337.4976 -149242.8879 299.8779 -183580.3855 -149145.9135 299.2864 73.4579 111.7386 558084.1717 0.9045 0.8009 LDB: ============= START OF LOAD BALANCING ============== 12730.2 LDB: ============== END OF LOAD BALANCING =============== 12730.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12730.2 LDB: ============= START OF LOAD BALANCING ============== 12730.4 LDB: Largest compute 4773 load 0.026507 is 22.5% of average load 0.117993 LDB: Average compute 0.001732 is 1.5% of average load 0.117993 LDB: TIME 12730.4 LOAD: AVG 0.117993 MAX 0.176544 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.457 MB LDB: TIME 12730.4 LOAD: AVG 0.117993 MAX 0.176544 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.457 MB LDB: TIME 12730.4 LOAD: AVG 0.117993 MAX 0.176544 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.457 MB LDB: ============== END OF LOAD BALANCING =============== 12730.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12730.5 PRESSURE: 4396400 -309.206 -169.381 -137.688 -169.38 -142.805 -190.086 -137.688 -190.088 -173.528 GPRESSURE: 4396400 -267.476 -140.807 -218.215 -136.266 -122.358 -181.692 -46.7252 -116.838 -144.908 PRESSAVG: 4396400 16.7074 2.84257 44.614 2.8426 -17.259 -10.83 44.614 -10.83 -20.6521 GPRESSAVG: 4396400 17.0399 3.46132 45.1628 3.00669 -18.622 -11.2668 43.5167 -8.08038 -20.0911 TIMING: 4396400 CPU: 12727.4, 0.00292563/step Wall: 12727.4, 0.00292563/step, 0.490531 hours remaining, 209.644531 MB of memory in use. ENERGY: 4396400 744.4931 2100.3971 1955.2169 112.0076 -205704.4624 17391.6989 0.0000 0.0000 34168.1342 -149232.5145 298.3988 -183400.6486 -149135.3399 299.2250 -208.5127 -178.2473 558460.8785 -7.0679 -7.2244 PRESSURE: 4396600 -23.7297 -31.9091 4.65069 -31.9073 266.09 -32.2235 4.64947 -32.2228 159.409 GPRESSURE: 4396600 49.5823 68.778 -18.6076 -67.8585 230.277 -66.5904 41.8949 67.6834 222.247 PRESSAVG: 4396600 53.6101 -29.7551 34.0278 -29.7552 32.8379 -7.90548 34.0277 -7.90547 -52.544 GPRESSAVG: 4396600 52.7134 -28.7159 31.8782 -27.9328 34.2068 -7.72411 36.2684 -8.98292 -52.6356 TIMING: 4396600 CPU: 12727.9, 0.00288104/step Wall: 12727.9, 0.00288104/step, 0.482893 hours remaining, 209.847656 MB of memory in use. ENERGY: 4396600 734.4690 2043.6067 1963.1420 115.7756 -206178.3707 18075.8077 0.0000 0.0000 34022.4980 -149223.0718 297.1269 -183245.5698 -149134.7409 298.6786 133.9228 167.3687 557319.4897 11.3013 11.4282 PRESSURE: 4396800 -276.039 39.6766 -142.397 39.6768 -118.842 -57.793 -142.399 -57.7939 104.917 GPRESSURE: 4396800 -180.685 -6.13948 -106.874 106.191 -127.899 -148.821 -171.297 7.06005 109.094 PRESSAVG: 4396800 -59.5691 -9.10714 27.4 -9.1072 62.685 -46.2607 27.4 -46.2607 9.04441 GPRESSAVG: 4396800 -58.7183 -12.2163 28.2296 -10.1994 62.4184 -47.219 27.0521 -46.4218 7.92973 TIMING: 4396800 CPU: 12728.5, 0.00289032/step Wall: 12728.5, 0.00289032/step, 0.484289 hours remaining, 209.847656 MB of memory in use. ENERGY: 4396800 756.9589 2102.3765 1947.1598 109.1867 -206113.0736 17714.7602 0.0000 0.0000 34169.5940 -149313.0375 298.4116 -183482.6315 -149211.2465 299.2415 -96.6548 -66.4965 558463.8107 4.0534 3.8766 PRESSURE: 4397000 194.216 25.5654 28.7601 25.5656 -84.0796 99.8308 28.7609 99.8313 -122.534 GPRESSURE: 4397000 192.474 63.1897 13.8888 4.06233 -37.6331 105.744 9.37038 52.6819 -72.6526 PRESSAVG: 4397000 32.0623 -38.4945 -5.77286 -38.4945 33.5015 -45.3449 -5.77278 -45.3449 -39.5323 GPRESSAVG: 4397000 29.8949 -36.5375 -5.70666 -39.768 34.2762 -44.8621 -6.76265 -46.4261 -38.4147 TIMING: 4397000 CPU: 12729.1, 0.00286129/step Wall: 12729.1, 0.00286129/step, 0.479265 hours remaining, 209.847656 MB of memory in use. ENERGY: 4397000 757.9812 2052.9633 1965.8751 113.2748 -206302.8947 17889.2268 0.0000 0.0000 34240.4137 -149283.1598 299.0300 -183523.5735 -149190.7515 299.9924 -4.1324 27.3959 557857.3073 8.6771 8.5855 PRESSURE: 4397200 -96.148 14.5635 82.2264 14.5648 -284.181 146.007 82.2258 146.007 -63.3743 GPRESSURE: 4397200 -51.3207 -14.7394 69.2133 48.3574 -262.54 222.639 53.9269 158.378 -29.6531 PRESSAVG: 4397200 -44.3961 -53.3146 -1.11744 -53.3147 27.7134 38.9864 -1.11735 38.9864 36.2549 GPRESSAVG: 4397200 -43.1773 -54.518 -0.625036 -52.338 26.8619 38.2791 -0.0180009 40.9749 36.422 TIMING: 4397200 CPU: 12729.7, 0.00288417/step Wall: 12729.7, 0.00288417/step, 0.482939 hours remaining, 209.847656 MB of memory in use. ENERGY: 4397200 743.0362 2080.2960 1939.0453 112.1031 -205821.7805 17548.7185 0.0000 0.0000 34296.2703 -149102.3111 299.5179 -183398.5814 -149008.8763 299.7140 -147.9010 -114.5047 556762.3965 6.5241 6.7022 PRESSURE: 4397400 82.1002 -217.322 -74.3803 -217.321 -58.2863 -67.3016 -74.3813 -67.3023 170.782 GPRESSURE: 4397400 88.7483 -171.837 -39.4131 -224.527 23.1808 -53.3321 -40.2677 -50.4797 180.892 PRESSAVG: 4397400 -35.6629 -58.0868 -40.9505 -58.0868 -13.7565 -14.9939 -40.9505 -14.994 45.0919 GPRESSAVG: 4397400 -35.8641 -56.9964 -42.0041 -58.1153 -12.7546 -14.7748 -41.1585 -15.202 45.0799 TIMING: 4397400 CPU: 12730.2, 0.00289067/step Wall: 12730.2, 0.00289067/step, 0.483867 hours remaining, 209.847656 MB of memory in use. ENERGY: 4397400 744.5920 2133.2173 1933.9598 116.4689 -206109.6955 17886.0607 0.0000 0.0000 34189.2820 -149106.1148 298.5835 -183295.3968 -149009.9379 299.5393 64.8653 97.6071 555862.5025 -1.4425 -1.1796 PRESSURE: 4397600 17.3702 14.8046 174.425 14.8028 -253.634 60.2524 174.425 60.2533 -92.144 GPRESSURE: 4397600 74.5869 11.0394 276.408 -14.413 -246.757 64.5561 158.102 21.1249 -53.7732 PRESSAVG: 4397600 -89.3949 0.981381 6.64057 0.981371 3.77898 33.8427 6.64058 33.8427 39.1015 GPRESSAVG: 4397600 -88.5417 1.70655 8.07036 -1.26143 3.43119 35.0845 4.90228 32.9895 38.7432 TIMING: 4397600 CPU: 12730.8, 0.00288657/step Wall: 12730.8, 0.00288657/step, 0.48302 hours remaining, 209.847656 MB of memory in use. ENERGY: 4397600 763.2770 2127.0283 1938.4882 106.3546 -206184.1489 17660.3062 0.0000 0.0000 34402.9027 -149185.7920 300.4491 -183588.6947 -149081.4301 299.7605 -109.4694 -75.3143 557245.5648 -15.5048 -15.4558 PRESSURE: 4397800 226.265 -29.8177 -34.5076 -29.8177 127.465 -100.846 -34.508 -100.846 -83.7008 GPRESSURE: 4397800 206.612 -58.5937 33.5051 -29.0883 187.378 -74.838 -128.892 -40.6662 -36.1611 PRESSAVG: 4397800 -34.4363 -33.3191 6.09485 -33.3191 35.112 -18.3377 6.09483 -18.3376 27.373 GPRESSAVG: 4397800 -34.6692 -34.0428 5.61464 -33.9058 35.7422 -19.6263 5.70062 -17.2815 27.2079 TIMING: 4397800 CPU: 12731.4, 0.00287196/step Wall: 12731.4, 0.00287196/step, 0.480415 hours remaining, 209.847656 MB of memory in use. ENERGY: 4397800 740.2765 2146.1362 1959.2196 111.1198 -206247.3203 17867.8145 0.0000 0.0000 34174.2927 -149248.4609 298.4526 -183422.7536 -149151.2533 299.2999 90.0098 119.2764 556318.8611 9.3496 9.4270 PRESSURE: 4398000 -43.5455 -146.145 -11.4622 -146.144 -162.434 156.363 -11.4627 156.364 -160.678 GPRESSURE: 4398000 2.17745 -151.555 -91.6732 -127.279 -222.073 52.158 14.607 283.843 -45.1344 PRESSAVG: 4398000 16.8642 -72.4033 9.30847 -72.4033 -32.2315 46.8787 9.30844 46.8786 21.8022 GPRESSAVG: 4398000 17.0804 -72.9429 7.6313 -72.3939 -33.0261 48.6203 12.0353 46.2976 21.4467 TIMING: 4398000 CPU: 12732, 0.00287778/step Wall: 12732, 0.00287778/step, 0.481229 hours remaining, 209.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4398000 765.2827 2100.6090 1960.3809 106.1833 -206003.6564 17651.7531 0.0000 0.0000 34177.2895 -149242.1579 298.4788 -183419.4475 -149143.4557 299.3696 -122.2190 -88.3433 558516.6944 2.1449 1.8337 PRESSURE: 4398200 138.402 -62.1117 -228.115 -62.1117 -161.051 101.916 -228.115 101.915 -20.3734 GPRESSURE: 4398200 128.099 -81.9621 -260.09 -133.747 -132.456 68.675 -163.32 85.6394 42.7834 PRESSAVG: 4398200 -50.9475 18.1845 -79.5301 18.1845 62.8103 -27.0701 -79.5301 -27.0703 13.3856 GPRESSAVG: 4398200 -50.6104 17.8236 -77.7816 19.5297 61.7494 -28.8537 -79.3522 -26.6571 14.3002 TIMING: 4398200 CPU: 12732.5, 0.00289056/step Wall: 12732.5, 0.00289056/step, 0.483205 hours remaining, 209.847656 MB of memory in use. ENERGY: 4398200 763.8101 2127.0194 1958.0292 101.4122 -206369.7832 17843.1670 0.0000 0.0000 34259.4455 -149316.8998 299.1963 -183576.3453 -149223.1081 299.2213 -14.3409 12.8086 557641.6118 8.4161 8.4797 PRESSURE: 4398400 -359.191 2.73089 204.321 2.73225 -286.534 -18.1051 204.321 -18.1044 6.9865 GPRESSURE: 4398400 -330.549 132.365 128.624 -151.082 -228.886 7.28953 104.939 -24.1222 7.21772 PRESSAVG: 4398400 -74.3986 44.0533 11.5691 44.0532 -24.5045 51.5865 11.5691 51.5866 48.2806 GPRESSAVG: 4398400 -74.1738 44.1527 11.7763 44.3081 -24.7804 53.5934 10.2844 51.3244 48.1468 TIMING: 4398400 CPU: 12733.1, 0.00286179/step Wall: 12733.1, 0.00286179/step, 0.478236 hours remaining, 209.847656 MB of memory in use. ENERGY: 4398400 754.7055 2074.6173 1929.4397 119.7392 -206086.5481 17719.6821 0.0000 0.0000 34228.9275 -149259.4367 298.9297 -183488.3643 -149163.4051 299.2593 -212.9127 -184.0723 559116.0706 -16.8742 -16.9358 PRESSURE: 4398600 -108.691 49.9076 -22.8796 49.9088 -58.2803 -55.1371 -22.8803 -55.1369 200.73 GPRESSURE: 4398600 -64.9408 22.9995 -37.2272 67.1177 19.4063 -0.253769 -45.0219 4.41936 180.023 PRESSAVG: 4398600 8.27295 44.8211 -12.6175 44.8211 5.62794 22.4254 -12.6176 22.4256 41.5028 GPRESSAVG: 4398600 7.16597 47.9389 -11.6932 43.2584 7.71114 21.8723 -13.3597 23.2002 41.182 TIMING: 4398600 CPU: 12733.7, 0.00286994/step Wall: 12733.7, 0.00286994/step, 0.479439 hours remaining, 209.847656 MB of memory in use. ENERGY: 4398600 769.4503 2083.2806 1923.2017 116.7245 -206492.5912 17904.0455 0.0000 0.0000 34538.7952 -149157.0934 301.6359 -183695.8886 -149057.6221 300.3239 11.2529 44.8294 556484.9192 18.4679 18.6864 PRESSURE: 4398800 -150.828 31.0398 113.503 31.0397 -18.0001 -48.9113 113.502 -48.9093 64.0076 GPRESSURE: 4398800 -34.1935 64.2378 87.5608 -91.4773 -35.8934 -106.89 155.702 -24.7711 53.8654 PRESSAVG: 4398800 16.7706 34.7362 1.92384 34.7363 41.9428 58.0968 1.92385 58.0969 -56.679 GPRESSAVG: 4398800 17.1141 32.2853 -1.01347 35.9224 41.0607 58.0506 3.50571 57.5642 -56.3331 TIMING: 4398800 CPU: 12734.3, 0.00286313/step Wall: 12734.3, 0.00286313/step, 0.478143 hours remaining, 209.847656 MB of memory in use. ENERGY: 4398800 813.9748 2110.8871 1966.6761 106.6778 -206277.2677 17895.8660 0.0000 0.0000 34174.8710 -149208.3150 298.4576 -183383.1860 -149106.1121 298.5677 -34.9401 -5.4072 557137.0252 0.6781 0.6139 PRESSURE: 4399000 -142.766 137.733 76.7544 137.733 -52.9543 -14.7463 76.7546 -14.7475 170.237 GPRESSURE: 4399000 -31.4719 -7.44678 67.4287 247.324 -27.0539 -94.1212 36.5997 -74.02 124.273 PRESSAVG: 4399000 -17.0303 -42.8066 -61.5954 -42.8066 11.3169 6.61027 -61.5954 6.61022 10.0549 GPRESSAVG: 4399000 -16.4495 -42.1564 -60.7253 -42.2229 10.7504 7.27793 -62.1829 6.10962 9.95019 TIMING: 4399000 CPU: 12734.8, 0.00288181/step Wall: 12734.8, 0.00288181/step, 0.481102 hours remaining, 209.847656 MB of memory in use. ENERGY: 4399000 762.2262 2122.5463 1954.6391 121.3437 -206190.2076 17764.7388 0.0000 0.0000 34344.9120 -149119.8016 299.9427 -183464.7136 -149023.6404 299.9535 -8.4943 21.9158 555689.7931 1.4472 1.4170 PRESSURE: 4399200 -152.754 -222.149 83.3182 -222.147 10.0708 216.007 83.3182 216.007 318.479 GPRESSURE: 4399200 -81.3895 -227.387 52.2428 -187.124 31.4909 184.71 59.8116 204.962 320.521 PRESSAVG: 4399200 10.9102 -80.2181 28.7304 -80.218 -32.1885 30.264 28.7304 30.2641 53.3783 GPRESSAVG: 4399200 9.60041 -79.9299 29.6235 -80.2798 -31.5178 29.1669 26.9473 30.4273 53.7982 TIMING: 4399200 CPU: 12735.4, 0.00286391/step Wall: 12735.4, 0.00286391/step, 0.477954 hours remaining, 209.847656 MB of memory in use. ENERGY: 4399200 769.3757 2078.5320 1955.5056 114.7680 -205909.3137 17702.2796 0.0000 0.0000 34161.9168 -149126.9360 298.3445 -183288.8529 -149029.8669 300.3915 58.5988 90.2074 556295.2089 10.7000 10.6270 PRESSURE: 4399400 -2.52028 -211.522 -9.18104 -211.523 107.427 -112.325 -9.18007 -112.327 -163.026 GPRESSURE: 4399400 4.22584 -180.739 18.785 -174.234 141.89 -151.775 -64.2909 -115.085 -96.8719 PRESSAVG: 4399400 -27.3957 2.29021 -17.5934 2.29026 13.8124 27.7922 -17.5933 27.7922 13.3956 GPRESSAVG: 4399400 -26.9646 4.10569 -21.01 0.202002 13.4939 25.943 -14.4039 28.8876 13.8 TIMING: 4399400 CPU: 12736, 0.00286497/step Wall: 12736, 0.00286497/step, 0.477973 hours remaining, 209.847656 MB of memory in use. ENERGY: 4399400 752.6337 2149.7311 1940.9415 114.2870 -206313.2648 17742.0428 0.0000 0.0000 34340.4529 -149273.1759 299.9037 -183613.6288 -149172.9876 299.2568 -19.3729 16.4148 556222.8950 -0.0626 0.1098 PRESSURE: 4399600 -387.752 71.367 118.324 71.3685 12.0268 59.8309 118.325 59.8299 -192.226 GPRESSURE: 4399600 -341.602 9.3424 259.356 78.9818 -3.63665 83.513 69.0456 84.7483 -125.402 PRESSAVG: 4399600 -70.9111 -14.4229 6.01869 -14.4229 30.7097 3.56693 6.01881 3.567 23.1796 GPRESSAVG: 4399600 -70.5077 -17.7398 9.43437 -11.7674 30.4634 4.2749 3.11512 5.06531 22.7691 TIMING: 4399600 CPU: 12736.6, 0.00287425/step Wall: 12736.6, 0.00287425/step, 0.47936 hours remaining, 209.847656 MB of memory in use. ENERGY: 4399600 767.6729 2168.1605 1963.5531 116.0621 -206070.1992 17535.8021 0.0000 0.0000 34153.8400 -149365.1086 298.2740 -183518.9486 -149266.3731 298.8957 -189.3172 -156.8800 556434.3264 -5.6739 -5.7584 PRESSURE: 4399800 -223.366 -74.552 15.9924 -74.5509 -217.327 23.91 15.9932 23.9112 133.88 GPRESSURE: 4399800 -214.827 -19.8148 5.06125 -35.9078 -172.178 35.9037 41.3615 -36.3125 185.09 PRESSAVG: 4399800 -78.2964 -26.0132 0.978408 -26.0133 40.7709 11.432 0.978446 11.4321 66.2803 GPRESSAVG: 4399800 -78.7576 -25.1213 1.73222 -26.8892 41.2413 12.4206 3.40796 9.8697 66.931 TIMING: 4399800 CPU: 12737.1, 0.002874/step Wall: 12737.1, 0.002874/step, 0.479159 hours remaining, 209.847656 MB of memory in use. ENERGY: 4399800 717.3067 2157.9682 1952.4853 120.9036 -206320.1811 17686.5694 0.0000 0.0000 34338.9675 -149345.9805 299.8907 -183684.9480 -149242.8798 298.7971 -102.2713 -67.3049 556653.2469 9.5849 9.8049 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4400000 WRITING COORDINATES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4400000 -588.047 52.2717 59.5001 52.2716 76.5488 102.829 59.5007 102.828 -133.254 GPRESSURE: 4400000 -576.063 68.2028 38.2121 -79.7506 103.625 107.641 80.522 51.1873 -78.5288 PRESSAVG: 4400000 -95.336 -9.26242 36.0208 -9.26243 46.9091 35.8266 36.0209 35.8266 58.3796 GPRESSAVG: 4400000 -93.7841 -7.61736 35.5001 -10.0864 45.6972 35.8068 33.7384 35.3949 57.275 TIMING: 4400000 CPU: 12737.7, 0.00293948/step Wall: 12737.7, 0.00293948/step, 0.489913 hours remaining, 209.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4400000 724.5518 2146.7716 1957.3556 103.6965 -206269.9018 17628.1612 0.0000 0.0000 34301.2101 -149408.1550 299.5610 -183709.3651 -149314.6703 298.5281 -214.9174 -183.6554 557190.7264 3.3175 3.0627 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 WRITING VELOCITIES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4400200 146.604 -25.0746 -132.933 -25.0747 -55.4837 -10.3975 -132.933 -10.398 98.8164 GPRESSURE: 4400200 125.613 30.4276 -112.713 1.00997 19.3254 131.656 -131.94 -47.4004 141.135 PRESSAVG: 4400200 -71.2047 0.371535 -47.6441 0.37153 73.5234 76.0076 -47.6441 76.0076 19.2839 GPRESSAVG: 4400200 -72.3443 0.922134 -45.9008 1.42251 74.2386 74.9459 -47.6145 76.6757 19.6337 TIMING: 4400200 CPU: 12738.3, 0.00289897/step Wall: 12738.3, 0.00289897/step, 0.483001 hours remaining, 209.847656 MB of memory in use. ENERGY: 4400200 717.9754 2098.2648 1971.1344 116.3102 -206215.9298 17668.6714 0.0000 0.0000 34093.5095 -149550.0641 297.7471 -183643.5736 -149446.6489 299.3623 63.3121 95.3579 556650.2465 7.2009 7.1760 LDB: ============= START OF LOAD BALANCING ============== 12741.7 LDB: ============== END OF LOAD BALANCING =============== 12741.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12741.7 LDB: ============= START OF LOAD BALANCING ============== 12742 LDB: Largest compute 4773 load 0.025995 is 22.0% of average load 0.118108 LDB: Average compute 0.001726 is 1.5% of average load 0.118108 LDB: TIME 12742 LOAD: AVG 0.118108 MAX 0.176161 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.668 MB LDB: TIME 12742 LOAD: AVG 0.118108 MAX 0.176161 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.91 MB LDB: TIME 12742 LOAD: AVG 0.118108 MAX 0.176161 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.91 MB LDB: ============== END OF LOAD BALANCING =============== 12742 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12742 PRESSURE: 4400400 22.2932 15.4992 102.218 15.5001 -36.7268 146.142 102.218 146.143 -66.7641 GPRESSURE: 4400400 59.9864 86.2388 96.4119 -17.6785 14.149 15.798 11.614 244.843 -36.5833 PRESSAVG: 4400400 -3.04335 19.5172 -22.1113 19.5173 86.9541 9.00944 -22.1115 9.00934 -30.8591 GPRESSAVG: 4400400 -2.97133 17.7511 -24.8606 19.4974 87.3385 8.29523 -19.8953 8.26998 -31.2607 TIMING: 4400400 CPU: 12738.9, 0.00294177/step Wall: 12738.9, 0.00294177/step, 0.489969 hours remaining, 210.355469 MB of memory in use. ENERGY: 4400400 808.9668 2134.3281 1947.4298 111.1445 -206537.9930 17991.8945 0.0000 0.0000 34114.3977 -149429.8317 297.9295 -183544.2293 -149338.9432 299.1292 -27.0659 12.5174 557269.7326 17.6839 17.7021 PRESSURE: 4400600 -257.289 139.12 98.4905 139.12 -25.8666 -84.7896 98.4915 -84.7895 -57.6618 GPRESSURE: 4400600 -205.059 45.6313 39.4672 158.975 -41.4143 -37.5368 141.749 -76.7025 3.97644 PRESSAVG: 4400600 -109.321 -29.7442 29.6675 -29.7442 85.9384 -36.5756 29.6675 -36.5754 35.6222 GPRESSAVG: 4400600 -110.281 -30.4666 31.0261 -27.9775 86.9291 -35.1682 27.9838 -35.301 35.1867 TIMING: 4400600 CPU: 12739.5, 0.00287857/step Wall: 12739.5, 0.00287857/step, 0.479281 hours remaining, 210.558594 MB of memory in use. ENERGY: 4400600 745.4716 2103.0472 1942.2369 99.4640 -206162.3764 17611.9713 0.0000 0.0000 34225.6886 -149434.4967 298.9015 -183660.1854 -149329.3625 298.3133 -113.6058 -80.8323 557188.3834 4.0797 3.9449 PRESSURE: 4400800 -26.354 96.5637 149.295 96.5636 -240.415 24.0383 149.294 24.0388 -44.8266 GPRESSURE: 4400800 -21.3491 37.0487 163.792 180.456 -153.393 -96.1806 178.087 28.9411 -39.351 PRESSAVG: 4400800 8.75986 15.9992 54.997 15.9992 21.3553 -15.1612 54.9971 -15.1613 -8.13246 GPRESSAVG: 4400800 9.34817 17.9933 52.6247 13.2855 19.866 -17.9274 56.3958 -15.7079 -8.11632 TIMING: 4400800 CPU: 12740, 0.0028643/step Wall: 12740, 0.0028643/step, 0.476746 hours remaining, 210.558594 MB of memory in use. ENERGY: 4400800 758.5956 2123.1924 1937.8398 122.9597 -206008.6534 17602.1029 0.0000 0.0000 34191.1978 -149272.7650 298.6002 -183463.9628 -149179.4824 299.5380 -103.8651 -71.3645 556931.4933 7.3276 7.0326 PRESSURE: 4401000 38.3082 105.812 -132.951 105.812 166.459 98.0915 -132.951 98.0916 69.7945 GPRESSURE: 4401000 80.2328 80.6615 -60.287 101.683 155.608 69.5209 -158.534 139.87 147.36 PRESSAVG: 4401000 -58.1135 -26.5082 17.9303 -26.5082 22.5969 25.0352 17.9303 25.0353 25.6371 GPRESSAVG: 4401000 -59.0735 -28.4709 20.0977 -24.9011 22.8113 26.5143 17.8209 24.2791 25.7696 TIMING: 4401000 CPU: 12740.6, 0.00285852/step Wall: 12740.6, 0.00285852/step, 0.475626 hours remaining, 210.558594 MB of memory in use. ENERGY: 4401000 715.9617 2119.6523 1959.7065 124.2651 -206501.2545 17866.6039 0.0000 0.0000 34481.1626 -149233.9024 301.1326 -183715.0649 -149132.7908 300.2009 91.5204 127.7337 555981.1108 -3.2932 -3.4975 PRESSURE: 4401200 142.739 -58.4335 108.556 -58.4325 -50.0439 28.6541 108.554 28.6537 10.9453 GPRESSURE: 4401200 185.931 -65.9208 64.8732 -118.817 -38.0128 74.005 155.553 -87.4816 52.0086 PRESSAVG: 4401200 11.1623 69.6067 63.5597 69.6066 -9.34594 10.808 63.5597 10.808 30.2973 GPRESSAVG: 4401200 11.5717 69.2338 64.6848 67.7813 -10.4472 11.7023 63.7071 8.99756 30.6397 TIMING: 4401200 CPU: 12741.2, 0.00286485/step Wall: 12741.2, 0.00286485/step, 0.476519 hours remaining, 210.558594 MB of memory in use. ENERGY: 4401200 777.8259 2096.0955 1937.7338 116.1834 -206688.3700 18097.4990 0.0000 0.0000 34465.7016 -149197.3310 300.9975 -183663.0326 -149103.5048 299.0669 34.5466 66.6424 556754.7791 10.7046 10.5881 PRESSURE: 4401400 -11.8521 95.9228 -59.2951 95.9239 -106.378 -143.113 -59.2929 -143.114 -174.544 GPRESSURE: 4401400 43.0453 42.8223 -80.0244 137.655 -105.512 -110.376 -53.8084 -149.138 -145.837 PRESSAVG: 4401400 18.3147 27.8314 60.1124 27.8315 -31.9753 22.194 60.1124 22.1939 7.05817 GPRESSAVG: 4401400 17.4823 29.7367 59.9993 29.7511 -31.3447 22.8139 59.4277 23.4078 7.09316 TIMING: 4401400 CPU: 12741.8, 0.00288349/step Wall: 12741.8, 0.00288349/step, 0.479461 hours remaining, 210.558594 MB of memory in use. ENERGY: 4401400 765.6954 2101.8591 1981.0078 112.6666 -205931.1981 17685.9182 0.0000 0.0000 34161.4442 -149122.6068 298.3404 -183284.0510 -149021.0322 299.5999 -97.5914 -69.4347 557765.4093 -2.2008 -2.2564 PRESSURE: 4401600 143.525 16.1328 -20.4732 16.1334 48.9955 -213.821 -20.4739 -213.822 78.7109 GPRESSURE: 4401600 225.798 40.1937 35.3527 13.218 80.0352 -228.433 -18.5111 -205.971 45.489 PRESSAVG: 4401600 48.4359 -22.4334 52.5837 -22.4334 23.1032 -28.3036 52.5837 -28.3035 -57.8073 GPRESSAVG: 4401600 49.8269 -25.186 51.9889 -21.0046 22.2724 -30.552 53.6487 -26.6309 -58.1973 TIMING: 4401600 CPU: 12742.3, 0.00288429/step Wall: 12742.3, 0.00288429/step, 0.479433 hours remaining, 210.558594 MB of memory in use. ENERGY: 4401600 751.9977 2055.3322 1939.4202 118.9718 -206351.1973 17974.8805 0.0000 0.0000 34473.3753 -149037.2196 301.0646 -183510.5949 -148936.5921 298.9863 90.4104 117.1073 557263.6957 4.5773 4.6340 PRESSURE: 4401800 38.2661 35.6793 -20.4616 35.6796 -4.36965 -43.9003 -20.4601 -43.9002 29.615 GPRESSURE: 4401800 46.2939 -43.1991 1.29063 50.6005 11.5824 -67.0936 -69.048 -31.1848 103.475 PRESSAVG: 4401800 -19.8134 -8.58769 45.4514 -8.5877 -12.9125 -16.1216 45.4513 -16.1217 25.205 GPRESSAVG: 4401800 -20.3497 -6.57828 45.2793 -9.84906 -13.4339 -15.8352 43.075 -17.1909 25.9916 TIMING: 4401800 CPU: 12742.9, 0.00289292/step Wall: 12742.9, 0.00289292/step, 0.480707 hours remaining, 210.558594 MB of memory in use. ENERGY: 4401800 737.0271 2013.3096 1960.9559 114.1731 -205866.3116 17716.9546 0.0000 0.0000 34291.8739 -149032.0174 299.4795 -183323.8914 -148931.4425 299.3850 21.1705 53.7839 557367.4624 -2.5069 -2.5974 PRESSURE: 4402000 -110.278 118.216 -101.467 118.217 -163.035 -104.234 -101.466 -104.234 74.9616 GPRESSURE: 4402000 -139.941 140.77 -63.9293 90.0827 -91.9585 -150.202 -52.5252 -63.7568 124.745 PRESSAVG: 4402000 -82.101 22.3108 -0.09537 22.3108 67.0495 -2.75557 -0.0953349 -2.75558 -22.7315 GPRESSAVG: 4402000 -82.1201 23.4056 2.01646 21.1633 67.0379 -1.04802 0.832087 -2.63168 -23.0833 TIMING: 4402000 CPU: 12743.5, 0.00288469/step Wall: 12743.5, 0.00288469/step, 0.479179 hours remaining, 210.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4402000 730.5480 2098.2895 1970.0056 110.6810 -206057.0010 17795.5781 0.0000 0.0000 34489.5718 -148862.3270 301.2060 -183351.8988 -148768.2885 299.8710 -66.1170 -35.7182 557619.7879 -12.5943 -12.7218 PRESSURE: 4402200 -159.842 -93.7091 -99.7953 -93.7083 80.5556 155.626 -99.7948 155.626 80.0555 GPRESSURE: 4402200 -126.545 -70.038 20.024 -119.011 136.937 161.342 -56.6067 221.763 91.1304 PRESSAVG: 4402200 -55.9982 -38.4593 26.814 -38.4593 67.7953 42.3473 26.814 42.3472 -13.437 GPRESSAVG: 4402200 -55.6709 -39.001 24.8002 -35.4899 68.1438 41.5227 28.123 41.494 -13.7663 TIMING: 4402200 CPU: 12744.1, 0.00288021/step Wall: 12744.1, 0.00288021/step, 0.478274 hours remaining, 210.757812 MB of memory in use. ENERGY: 4402200 730.4847 2044.7055 1970.0942 110.5079 -205930.5556 17880.0415 0.0000 0.0000 34410.8274 -148783.8944 300.5183 -183194.7218 -148692.9099 300.3035 0.2563 33.8409 558545.0352 -0.5466 -0.4311 PRESSURE: 4402400 -371.927 -205.592 -149.095 -205.592 120.508 37.3789 -149.094 37.3787 -175.108 GPRESSURE: 4402400 -324.357 -218.888 -161.126 -175.398 128.835 91.6105 -142.427 43.3472 -143.341 PRESSAVG: 4402400 -15.7489 -6.60695 -58.8601 -6.60699 11.883 42.2049 -58.8601 42.2049 28.1369 GPRESSAVG: 4402400 -16.1741 -4.86007 -56.7776 -9.45835 11.7191 41.5975 -62.4484 42.3179 28.271 TIMING: 4402400 CPU: 12744.6, 0.0028762/step Wall: 12744.6, 0.0028762/step, 0.47745 hours remaining, 210.757812 MB of memory in use. ENERGY: 4402400 750.6575 2080.5023 1964.4421 112.9120 -205633.0081 17590.2919 0.0000 0.0000 34245.5917 -148888.6107 299.0753 -183134.2024 -148796.8021 300.1036 -142.1755 -112.9540 558910.2785 8.0903 7.9387 PRESSURE: 4402600 -39.4639 67.9793 -211.724 67.9788 -229.787 -19.3817 -211.724 -19.3811 122.436 GPRESSURE: 4402600 14.8655 95.6535 -199.113 -20.8439 -139.212 39.0235 -167.979 -157.692 75.7672 PRESSAVG: 4402600 -6.57952 18.7054 -18.453 18.7055 -27.7499 12.9847 -18.453 12.9848 9.92507 GPRESSAVG: 4402600 -5.9552 17.0554 -16.3332 17.9152 -27.7268 15.449 -16.2249 11.0745 8.90365 TIMING: 4402600 CPU: 12745.2, 0.00286984/step Wall: 12745.2, 0.00286984/step, 0.476234 hours remaining, 210.757812 MB of memory in use. ENERGY: 4402600 716.0395 2061.8086 1971.1317 110.4925 -205594.2048 17652.6100 0.0000 0.0000 34178.8291 -148903.2935 298.4922 -183082.1226 -148808.0320 299.8690 -48.9383 -16.1929 557480.2786 -8.1348 -8.2595 PRESSURE: 4402800 -212.685 22.7889 -100.69 22.7878 -262.767 121.846 -100.69 121.846 -152.961 GPRESSURE: 4402800 -154.689 34.2132 -141.374 74.7427 -258.999 103.772 -77.9767 116.014 -109.93 PRESSAVG: 4402800 -3.80218 42.5875 -22.4723 42.5876 22.2042 -18.8821 -22.4722 -18.882 -31.9586 GPRESSAVG: 4402800 -3.35078 42.6308 -26.0512 43.4102 22.0963 -20.8045 -23.4513 -17.0401 -32.7197 TIMING: 4402800 CPU: 12745.8, 0.00286815/step Wall: 12745.8, 0.00286815/step, 0.475795 hours remaining, 210.757812 MB of memory in use. ENERGY: 4402800 750.5895 2104.9754 1943.2829 111.9951 -205500.0134 17624.1089 0.0000 0.0000 34375.2614 -148589.8002 300.2077 -182965.0616 -148490.8981 300.1265 -209.4710 -174.5397 558513.9156 -4.5188 -4.6581 PRESSURE: 4403000 -207.461 -95.9142 -169.057 -95.9156 40.9993 63.9766 -169.058 63.9761 377.795 GPRESSURE: 4403000 -176.266 -1.99625 -178.132 -82.8694 87.9924 81.0144 -204.515 10.2915 393.697 PRESSAVG: 4403000 -44.7034 74.114 -50.3221 74.114 35.0852 10.2783 -50.3221 10.2783 5.09946 GPRESSAVG: 4403000 -44.826 73.9578 -49.4633 75.4986 34.3336 10.7437 -50.7397 8.58787 5.68469 TIMING: 4403000 CPU: 12746.4, 0.00287043/step Wall: 12746.4, 0.00287043/step, 0.476012 hours remaining, 210.757812 MB of memory in use. ENERGY: 4403000 756.2104 2073.4280 1945.2584 115.8796 -205556.6200 17606.7158 0.0000 0.0000 34322.3078 -148736.8199 299.7453 -183059.1277 -148637.3241 300.1586 70.4444 101.8079 556755.9938 -1.5062 -1.6026 PRESSURE: 4403200 -44.0632 -30.0771 -211.746 -30.0789 -301.682 -117.056 -211.746 -117.056 -54.9091 GPRESSURE: 4403200 0.287689 10.6259 -218.584 -80.8181 -300.285 -78.8226 -215.715 -121.976 -7.40171 PRESSAVG: 4403200 -45.1959 41.7192 2.67587 41.7192 11.9661 -53.5362 2.67584 -53.5362 32.9468 GPRESSAVG: 4403200 -45.8546 41.2089 0.966729 42.8284 12.131 -53.0667 3.00847 -53.851 33.5597 TIMING: 4403200 CPU: 12746.9, 0.00287599/step Wall: 12746.9, 0.00287599/step, 0.476775 hours remaining, 210.757812 MB of memory in use. ENERGY: 4403200 780.8853 2067.5731 1946.9691 111.6121 -205388.6441 17622.1909 0.0000 0.0000 34175.1497 -148684.2640 298.4601 -182859.4137 -148590.1027 300.9370 -133.5513 -102.4662 557859.8411 -0.0943 -0.0546 PRESSURE: 4403400 -69.0226 56.4436 -96.36 56.444 257.968 -70.2385 -96.3602 -70.238 -226.502 GPRESSURE: 4403400 -36.4132 88.0961 -75.7607 38.0523 268.137 -14.6025 -77.4766 -83.4347 -179.109 PRESSAVG: 4403400 -71.1715 29.7008 -22.9238 29.7006 -1.03863 -19.874 -22.9239 -19.874 79.6546 GPRESSAVG: 4403400 -70.5355 29.3251 -23.1889 26.4616 -0.579972 -20.5903 -20.4569 -18.7785 78.3741 TIMING: 4403400 CPU: 12747.5, 0.0028679/step Wall: 12747.5, 0.0028679/step, 0.475276 hours remaining, 210.757812 MB of memory in use. ENERGY: 4403400 755.0403 2035.3570 1936.3029 112.2901 -205845.4607 17827.7818 0.0000 0.0000 34394.0595 -148784.6290 300.3719 -183178.6885 -148683.7639 301.1283 -12.5187 17.5381 559027.1952 2.4815 2.4195 PRESSURE: 4403600 297.78 24.1616 -112.377 24.161 -144.219 14.7097 -112.378 14.7094 -122.461 GPRESSURE: 4403600 332.245 -19.8084 -91.7143 89.4453 -92.2853 -33.1201 -140.013 116.732 -122.411 PRESSAVG: 4403600 -66.1223 0.27625 25.8905 0.276253 45.7303 13.1093 25.8905 13.1093 49.942 GPRESSAVG: 4403600 -66.6684 1.41825 25.7328 2.38385 45.4207 13.7648 25.6837 14.091 50.6277 TIMING: 4403600 CPU: 12748.1, 0.00285581/step Wall: 12748.1, 0.00285581/step, 0.473112 hours remaining, 210.757812 MB of memory in use. ENERGY: 4403600 749.8265 2142.6785 1935.5202 116.1082 -206038.1702 17871.4206 0.0000 0.0000 34299.1199 -148923.4963 299.5427 -183222.6162 -148827.0019 300.0381 10.3663 39.1829 558540.2040 9.8500 9.7933 PRESSURE: 4403800 -292.41 12.0715 66.7948 12.071 102.486 -84.5432 66.7957 -84.5429 43.8349 GPRESSURE: 4403800 -215.369 19.0022 45.0613 -39.3261 65.525 -36.9316 36.8268 -55.2676 94.667 PRESSAVG: 4403800 18.3851 24.3038 -8.47488 24.3039 -48.0469 35.5394 -8.47481 35.5394 59.8898 GPRESSAVG: 4403800 19.0624 23.9995 -9.53601 21.8343 -48.6292 35.9267 -8.17343 34.9362 60.5233 TIMING: 4403800 CPU: 12748.7, 0.00286391/step Wall: 12748.7, 0.00286391/step, 0.474295 hours remaining, 210.757812 MB of memory in use. ENERGY: 4403800 738.7589 2069.1231 1928.2813 110.0803 -205889.6549 17665.8560 0.0000 0.0000 34285.7603 -149091.7950 299.4261 -183377.5553 -148998.4549 299.9612 -48.6966 -18.3922 558876.3512 10.0760 10.3188 PRESSURE: 4404000 199.028 77.024 127.033 77.0236 63.0649 47.3535 127.033 47.3536 139.669 GPRESSURE: 4404000 227.455 46.4 150.084 86.9054 72.712 109.307 141.866 104.935 200.893 PRESSAVG: 4404000 35.0677 54.2989 9.23773 54.299 -28.262 23.8576 9.23784 23.8576 18.1039 GPRESSAVG: 4404000 35.54 55.9029 9.20651 54.7009 -27.2621 24.3896 8.98689 22.6216 16.5612 TIMING: 4404000 CPU: 12749.2, 0.00287297/step Wall: 12749.2, 0.00287296/step, 0.475635 hours remaining, 210.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4404000 756.8907 2082.4431 1951.3407 127.5955 -206607.3891 18136.6834 0.0000 0.0000 34441.7475 -149110.6883 300.7883 -183552.4358 -149011.6476 299.7679 133.9208 167.0201 557402.1036 8.3032 8.2797 PRESSURE: 4404200 81.4965 105.743 -15.7434 105.743 -6.08931 -7.37766 -15.7434 -7.37594 123.484 GPRESSURE: 4404200 182.772 23.1107 7.4632 82.3432 15.4581 81.8478 -6.04316 -2.00743 96.6014 PRESSAVG: 4404200 -8.70028 57.0504 58.6578 57.0504 22.9128 44.039 58.6579 44.0389 -8.25789 GPRESSAVG: 4404200 -8.83414 56.1371 58.6887 57.7985 22.4033 43.0023 58.5531 44.2171 -7.29945 TIMING: 4404200 CPU: 12749.8, 0.00288052/step Wall: 12749.8, 0.00288052/step, 0.476726 hours remaining, 210.757812 MB of memory in use. ENERGY: 4404200 708.5306 2128.9058 1933.3861 120.8300 -206200.7689 17729.3445 0.0000 0.0000 34262.2843 -149317.4876 299.2211 -183579.7718 -149217.8430 299.7042 66.2971 98.2771 556125.3211 1.9849 2.0899 LDB: ============= START OF LOAD BALANCING ============== 12753.2 LDB: ============== END OF LOAD BALANCING =============== 12753.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12753.2 LDB: ============= START OF LOAD BALANCING ============== 12753.5 LDB: Largest compute 4773 load 0.026205 is 22.2% of average load 0.118041 LDB: Average compute 0.001723 is 1.5% of average load 0.118041 LDB: TIME 12753.5 LOAD: AVG 0.118041 MAX 0.180974 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.355 MB LDB: TIME 12753.5 LOAD: AVG 0.118041 MAX 0.180974 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.559 MB LDB: TIME 12753.5 LOAD: AVG 0.118041 MAX 0.180974 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.559 MB LDB: ============== END OF LOAD BALANCING =============== 12753.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12753.5 PRESSURE: 4404400 -157.575 -34.6843 33.1585 -34.6851 85.6398 -5.46945 33.1586 -5.47049 -58.2052 GPRESSURE: 4404400 -107.785 -74.6623 34.6098 -5.02148 132.312 -22.1388 26.2945 44.6731 -69.2208 PRESSAVG: 4404400 31.2253 10.9553 -23.7069 10.9553 44.1647 -0.98193 -23.7069 -0.981798 -37.5438 GPRESSAVG: 4404400 31.7669 9.43205 -22.3207 10.9728 43.9075 -1.21563 -23.977 0.583689 -37.7108 TIMING: 4404400 CPU: 12750.4, 0.00293907/step Wall: 12750.4, 0.00293907/step, 0.486252 hours remaining, 211.125000 MB of memory in use. ENERGY: 4404400 751.6762 2128.9500 1938.0198 106.1591 -206018.0455 17621.7699 0.0000 0.0000 34265.8324 -149205.6382 299.2520 -183471.4705 -149111.9570 298.6921 -43.3800 -14.8980 557215.9694 12.6154 12.6545 PRESSURE: 4404600 -108.136 165.77 -1.92883 165.77 -191.5 -5.81818 -1.93023 -5.81968 56.3782 GPRESSURE: 4404600 -67.0411 235.514 -32.6713 142.151 -107.949 10.2297 48.6338 -77.9366 29.3341 PRESSAVG: 4404600 35.797 -34.2416 -27.8778 -34.2417 -27.4148 36.0976 -27.8778 36.0976 3.17582 GPRESSAVG: 4404600 34.6162 -33.2141 -29.9472 -34.0141 -27.8921 36.1051 -28.3118 33.8866 4.43725 TIMING: 4404600 CPU: 12751, 0.00286877/step Wall: 12751, 0.00286877/step, 0.474463 hours remaining, 211.125000 MB of memory in use. ENERGY: 4404600 745.3207 2075.9140 1991.0346 111.2064 -205852.9603 17570.9451 0.0000 0.0000 34294.7730 -149063.7665 299.5048 -183358.5395 -148968.9285 299.2194 -81.0858 -48.5519 557531.6103 3.8527 3.7205 PRESSURE: 4404800 395.339 -46.2198 34.8852 -46.2204 543.499 -2.02982 34.885 -2.02941 265.335 GPRESSURE: 4404800 407.918 -109.094 -114.371 -29.4768 552.529 11.595 -10.9262 11.2094 336.229 PRESSAVG: 4404800 29.5082 17.5985 -11.5401 17.5985 -54.2262 -45.5677 -11.5401 -45.5677 43.5717 GPRESSAVG: 4404800 30.674 17.3265 -10.0438 16.5503 -53.2916 -47.0206 -11.7201 -42.1794 42.3871 TIMING: 4404800 CPU: 12751.5, 0.00285905/step Wall: 12751.5, 0.00285905/step, 0.472697 hours remaining, 211.125000 MB of memory in use. ENERGY: 4404800 757.7416 2121.8145 1961.5089 104.1443 -206861.5098 18426.8228 0.0000 0.0000 34443.4194 -149046.0582 300.8029 -183489.4776 -148954.6236 300.8703 401.3909 432.2252 554423.1357 6.2846 6.5898 PRESSURE: 4405000 32.5784 -152.359 -33.2866 -152.359 303.71 146.186 -33.2847 146.186 -188.027 GPRESSURE: 4405000 68.0121 -81.2948 -39.5335 -250.504 321.837 169.914 25.9147 146.378 -138.797 PRESSAVG: 4405000 2.53636 39.2941 -31.9784 39.2941 -15.956 -8.82727 -31.9784 -8.82737 21.3807 GPRESSAVG: 4405000 0.788747 38.537 -31.9301 39.3504 -15.117 -6.36789 -32.2746 -10.6353 22.4058 TIMING: 4405000 CPU: 12752.1, 0.00286577/step Wall: 12752.1, 0.00286577/step, 0.473649 hours remaining, 211.125000 MB of memory in use. ENERGY: 4405000 742.5048 2102.9499 1970.0660 116.6327 -206348.3676 17873.2335 0.0000 0.0000 34398.1612 -149144.8195 300.4077 -183542.9807 -149038.4433 299.6974 49.4205 83.6838 556495.8437 2.6537 2.6925 PRESSURE: 4405200 166.704 -214.774 -129.196 -214.774 133.993 -42.5337 -129.198 -42.5342 -119.698 GPRESSURE: 4405200 224.313 -164.573 -110.012 -293.133 108.962 -50.8263 -132.444 -59.1318 -58.6029 PRESSAVG: 4405200 59.3264 -13.1412 2.81681 -13.1412 -67.9554 39.4454 2.81679 39.4454 -18.7183 GPRESSAVG: 4405200 60.1451 -13.4547 2.69728 -12.7922 -69.3343 38.1113 3.19333 38.2431 -18.0951 TIMING: 4405200 CPU: 12752.7, 0.00287747/step Wall: 12752.7, 0.00287747/step, 0.475422 hours remaining, 211.125000 MB of memory in use. ENERGY: 4405200 756.2294 2197.1496 1913.6619 119.7647 -206268.2863 17723.3218 0.0000 0.0000 34292.8103 -149265.3487 299.4876 -183558.1589 -149171.6094 299.3612 60.3331 91.5573 555339.8065 -9.1158 -9.0948 PRESSURE: 4405400 -49.0164 -36.7516 -171.221 -36.751 -87.2978 -27.8693 -171.221 -27.871 -199.712 GPRESSURE: 4405400 -17.4864 -93.3076 -156.493 -24.8483 -30.497 96.1487 -209.022 -93.5713 -184.065 PRESSAVG: 4405400 -5.15844 -16.2297 -43.7381 -16.2297 2.28275 27.6274 -43.7381 27.6275 48.0843 GPRESSAVG: 4405400 -5.47095 -15.1784 -43.0558 -14.9831 2.12383 27.8676 -43.7455 29.8908 48.9745 TIMING: 4405400 CPU: 12753.3, 0.00286191/step Wall: 12753.3, 0.00286191/step, 0.472693 hours remaining, 211.125000 MB of memory in use. ENERGY: 4405400 734.8876 2094.4350 1935.1860 116.6972 -206142.7565 17612.1131 0.0000 0.0000 34347.9810 -149301.4565 299.9695 -183649.4375 -149206.4007 299.1822 -112.0089 -77.3494 556230.7650 15.0696 15.2091 PRESSURE: 4405600 -270.333 -34.8535 22.3403 -34.8539 -259.38 -156.795 22.3395 -156.795 -271.948 GPRESSURE: 4405600 -215.759 -66.8609 41.548 8.41704 -276.229 -159.113 53.3739 -143.659 -215.336 PRESSAVG: 4405600 -37.4865 -5.73023 -24.3018 -5.73025 0.864704 -8.37047 -24.3019 -8.37047 69.843 GPRESSAVG: 4405600 -36.8818 -6.16824 -24.7805 -6.37403 1.43692 -9.21607 -25.2557 -7.6414 68.7483 TIMING: 4405600 CPU: 12753.8, 0.00285577/step Wall: 12753.8, 0.00285577/step, 0.471519 hours remaining, 211.125000 MB of memory in use. ENERGY: 4405600 769.7567 2091.4011 1929.7018 111.9996 -206071.2224 17486.2717 0.0000 0.0000 34249.8592 -149432.2323 299.1125 -183682.0915 -149333.0931 299.5649 -267.2203 -235.7746 557641.8750 11.0737 11.1012 PRESSURE: 4405800 14.1667 29.4964 75.8997 29.4978 -487.552 175.089 75.9 175.087 -14.4731 GPRESSURE: 4405800 70.8591 73.7223 125.259 5.48431 -445.6 137.443 56.7697 198.987 -13.7819 PRESSAVG: 4405800 14.1565 47.5559 9.43284 47.5558 17.0732 8.51143 9.43279 8.51137 6.67253 GPRESSAVG: 4405800 14.1861 48.1621 9.86753 47.5974 17.2193 8.10278 10.8911 9.3698 6.18035 TIMING: 4405800 CPU: 12754.4, 0.00287347/step Wall: 12754.4, 0.00287347/step, 0.474282 hours remaining, 211.125000 MB of memory in use. ENERGY: 4405800 780.4576 2148.3600 1913.4665 112.6207 -206236.6020 17593.6101 0.0000 0.0000 34277.0292 -149411.0578 299.3498 -183688.0870 -149306.7550 298.7568 -162.6195 -129.5076 557229.3885 12.6341 12.5286 PRESSURE: 4406000 93.9042 -71.8277 120.821 -71.8271 -52.5978 7.13022 120.82 7.13023 33.3975 GPRESSURE: 4406000 84.2107 -32.42 104.935 -96.5703 11.8161 8.43139 105.363 -91.2322 71.0234 PRESSAVG: 4406000 -7.26234 33.4774 15.2597 33.4774 -48.1528 49.3508 15.2597 49.3508 35.5984 GPRESSAVG: 4406000 -8.50467 33.6365 17.447 32.3805 -47.5437 50.6931 13.3105 47.6132 36.5681 TIMING: 4406000 CPU: 12755, 0.00288797/step Wall: 12755, 0.00288797/step, 0.476515 hours remaining, 211.125000 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: 4406000 734.6980 2099.1594 1934.0343 116.9411 -206200.0648 17787.8624 0.0000 0.0000 34034.6074 -149492.7619 297.2327 -183527.3694 -149399.1273 298.5934 24.9013 55.6834 556531.0769 -6.6056 -6.4934 PRESSURE: 4406200 -184.527 -54.8243 -115.681 -54.825 -40.0039 -62.7703 -115.683 -62.7711 -98.0408 GPRESSURE: 4406200 -131.266 -48.5178 -132.896 -92.3881 13.3752 -178.395 -108.099 3.29378 -103.324 PRESSAVG: 4406200 35.7634 11.9363 -23.8494 11.9363 -45.1663 28.1222 -23.8493 28.1221 8.41742 GPRESSAVG: 4406200 35.8054 11.1393 -23.8586 11.1583 -47.135 28.6829 -22.6299 27.8475 10.0147 TIMING: 4406200 CPU: 12755.6, 0.00287947/step Wall: 12755.6, 0.00287947/step, 0.474953 hours remaining, 211.125000 MB of memory in use. ENERGY: 4406200 760.5098 2057.5324 1938.7685 97.1913 -206043.8720 17638.2273 0.0000 0.0000 33902.9638 -149648.6789 296.0830 -183551.6427 -149551.7544 297.3576 -107.5238 -73.7383 557456.3351 -0.3285 -0.4383 PRESSURE: 4406400 -551.514 -28.3805 65.7212 -28.3799 -206.018 72.4987 65.7204 72.4981 -198.361 GPRESSURE: 4406400 -497.302 -84.1902 69.1911 35.4709 -150.45 -19.353 14.6231 190.388 -190.763 PRESSAVG: 4406400 -19.4934 54.7104 -38.7985 54.7104 -19.4054 -1.89427 -38.7985 -1.89429 33.9888 GPRESSAVG: 4406400 -19.0538 54.896 -37.6734 56.0962 -19.3032 -3.03202 -39.9096 -2.66667 33.0203 TIMING: 4406400 CPU: 12756.1, 0.00288411/step Wall: 12756.1, 0.00288411/step, 0.475557 hours remaining, 211.125000 MB of memory in use. ENERGY: 4406400 744.4587 2103.4859 1969.3529 102.6847 -206018.9578 17390.7888 0.0000 0.0000 34100.6602 -149607.5266 297.8095 -183708.1869 -149513.0357 298.0368 -318.6308 -279.5049 558220.0227 -1.6367 -1.7789 PRESSURE: 4406600 -191.058 -117.591 118.555 -117.593 -32.7696 -28.6886 118.555 -28.6873 76.9877 GPRESSURE: 4406600 -129.503 -101.914 147.029 -131.951 -24.8018 8.31168 102.347 -144.394 108.333 PRESSAVG: 4406600 -33.1159 27.7662 23.9464 27.7662 78.6504 3.52744 23.9463 3.52743 -42.4213 GPRESSAVG: 4406600 -30.9558 29.2354 22.1017 24.2283 78.5223 3.42231 24.1483 4.45043 -43.9274 TIMING: 4406600 CPU: 12756.7, 0.0028811/step Wall: 12756.7, 0.00288109/step, 0.4749 hours remaining, 211.125000 MB of memory in use. ENERGY: 4406600 737.2968 2094.6328 1934.1472 108.9662 -206569.8119 17825.9662 0.0000 0.0000 34254.2023 -149614.6003 299.1505 -183868.8026 -149517.2885 298.3703 -48.9465 -15.3240 557189.1807 1.0377 1.2130 PRESSURE: 4406800 29.9451 -51.5655 -40.4509 -51.5664 84.2781 44.1394 -40.4508 44.1385 389.792 GPRESSURE: 4406800 108.549 -70.5717 -6.12996 7.28988 102.169 98.8316 -6.66823 37.2013 394.102 PRESSAVG: 4406800 -64.6026 -27.2136 4.58266 -27.2135 46.2108 -1.49655 4.58267 -1.49648 1.13745 GPRESSAVG: 4406800 -66.7786 -25.7232 5.53274 -24.8652 47.0204 -2.41931 5.24861 -1.54652 2.77869 TIMING: 4406800 CPU: 12757.3, 0.0028723/step Wall: 12757.3, 0.0028723/step, 0.473291 hours remaining, 211.125000 MB of memory in use. ENERGY: 4406800 718.0160 2122.9371 1951.7683 110.9179 -206538.0704 18056.0378 0.0000 0.0000 34059.4248 -149518.9685 297.4494 -183578.3933 -149420.7960 298.6779 168.0051 201.6066 556943.1359 -5.7515 -5.6598 PRESSURE: 4407000 -121.719 -100.731 -27.1903 -100.73 56.8585 58.4254 -27.1914 58.4259 -62.8278 GPRESSURE: 4407000 -29.4716 -85.6659 -34.157 -125.81 60.9459 110.027 64.0758 -48.1917 -49.1787 PRESSAVG: 4407000 -36.9783 -19.8725 -33.8847 -19.8724 62.3197 -5.09065 -33.8847 -5.09062 2.62644 GPRESSAVG: 4407000 -36.348 -20.903 -35.1204 -18.4458 62.1381 -4.34214 -32.4518 -7.28394 2.0649 TIMING: 4407000 CPU: 12757.9, 0.00287612/step Wall: 12757.9, 0.00287612/step, 0.473761 hours remaining, 211.125000 MB of memory in use. ENERGY: 4407000 760.5738 2164.1774 1927.1899 110.7078 -206539.0665 17809.5150 0.0000 0.0000 34259.3238 -149507.5789 299.1952 -183766.9027 -149412.5361 298.8414 -42.5628 -5.9014 556446.9490 9.3226 9.2850 PRESSURE: 4407200 166.499 -233.068 159.677 -233.067 98.6225 -58.7203 159.678 -58.7208 140.975 GPRESSURE: 4407200 183.413 -231.242 116.398 -180.901 162.309 -94.6282 165.311 -56.7078 154.2 PRESSAVG: 4407200 -38.8474 16.9181 44.5416 16.918 33.0069 -3.85334 44.5415 -3.85352 72.9515 GPRESSAVG: 4407200 -38.1475 15.0042 45.4534 16.8709 31.8295 -1.74939 42.0923 -3.48697 73.3188 TIMING: 4407200 CPU: 12758.4, 0.0028615/step Wall: 12758.4, 0.0028615/step, 0.471193 hours remaining, 211.125000 MB of memory in use. ENERGY: 4407200 732.2711 2145.4229 1942.5646 112.8584 -207068.7823 18067.6336 0.0000 0.0000 34433.7101 -149634.3214 300.7182 -184068.0316 -149535.5747 298.4570 135.3655 166.6408 554901.4157 22.3703 22.3336 PRESSURE: 4407400 -178.194 52.3972 123.359 52.398 -120.936 -53.7533 123.359 -53.7537 -94.5515 GPRESSURE: 4407400 -129.871 -31.3405 55.1604 22.6556 -133.804 -3.25621 113.573 -137.27 -34.5221 PRESSAVG: 4407400 16.1176 36.4965 18.6718 36.4965 -30.9794 -56.7506 18.6717 -56.7505 33.2503 GPRESSAVG: 4407400 15.2168 37.3267 18.3552 36.0135 -29.6173 -58.1007 20.6541 -55.4727 32.247 TIMING: 4407400 CPU: 12759, 0.00287247/step Wall: 12759, 0.00287247/step, 0.472841 hours remaining, 211.125000 MB of memory in use. ENERGY: 4407400 764.2050 2112.6175 1976.6164 113.2819 -206482.6742 17787.1044 0.0000 0.0000 33928.0737 -149800.7753 296.3023 -183728.8491 -149697.6363 298.3173 -131.2270 -99.3993 556807.1714 6.1295 5.9489 PRESSURE: 4407600 -372.929 -239.299 -14.3696 -239.3 -58.2477 22.1754 -14.369 22.1753 -293.109 GPRESSURE: 4407600 -358.563 -246.169 5.64289 -157.566 -20.7221 20.8507 37.8073 37.4647 -239.153 PRESSAVG: 4407600 4.74553 60.3928 -19.4839 60.3929 20.9051 -1.45481 -19.4838 -1.45486 -29.3572 GPRESSAVG: 4407600 5.00518 59.2919 -20.4621 62.1326 19.7783 -2.31356 -21.0634 -0.566185 -28.7047 TIMING: 4407600 CPU: 12759.6, 0.00286197/step Wall: 12759.6, 0.00286197/step, 0.470953 hours remaining, 211.125000 MB of memory in use. ENERGY: 4407600 766.5816 2066.5373 1939.4472 115.5352 -207060.0583 17931.6261 0.0000 0.0000 34259.5300 -149980.8008 299.1970 -184240.3308 -149890.2674 297.4277 -241.4288 -206.1459 556020.9310 -1.2356 -1.3071 PRESSURE: 4407800 -173.303 56.8839 144.777 56.8842 -314.91 -17.7245 144.779 -17.7263 -315.593 GPRESSURE: 4407800 -121.629 76.529 285.516 109.796 -248.733 21.0952 67.2634 -81.5874 -322.757 PRESSAVG: 4407800 12.3908 -5.75207 -7.48157 -5.75199 10.4909 -46.1269 -7.48151 -46.1269 27.5569 GPRESSAVG: 4407800 11.8756 -6.06648 -5.65877 -7.64793 10.9486 -46.3237 -7.65797 -46.0117 27.1467 TIMING: 4407800 CPU: 12760.2, 0.00287458/step Wall: 12760.2, 0.00287458/step, 0.472869 hours remaining, 211.125000 MB of memory in use. ENERGY: 4407800 763.6089 2030.8268 1951.4378 123.5845 -206381.9811 17581.9275 0.0000 0.0000 33851.2656 -150079.3299 295.6315 -183930.5956 -149983.6915 297.4907 -267.9353 -231.0399 556658.7915 16.8129 16.6570 PRESSURE: 4408000 -116.738 32.7421 -81.0747 32.7415 -56.0465 62.7487 -81.0759 62.7482 -38.5287 GPRESSURE: 4408000 -93.8496 80.7563 -39.9417 19.3654 1.58776 125.905 -54.1237 66.1475 -9.51556 PRESSAVG: 4408000 0.672835 -13.8786 -5.12308 -13.8785 26.8711 -40.9444 -5.12308 -40.9443 -38.2715 GPRESSAVG: 4408000 0.296474 -13.5196 -5.03117 -14.7551 26.8178 -40.1231 -5.46367 -41.9775 -38.0102 TIMING: 4408000 CPU: 12760.7, 0.0028872/step Wall: 12760.7, 0.0028872/step, 0.474784 hours remaining, 211.125000 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: 4408000 766.6477 2061.9181 1957.6318 123.9031 -206435.1139 17786.6866 0.0000 0.0000 33857.3231 -149881.0034 295.6844 -183738.3266 -149781.3128 297.6772 -70.4378 -33.9258 557398.7361 -3.5759 -3.6320 PRESSURE: 4408200 -44.0138 -160.962 112.262 -160.963 63.2642 45.4212 112.262 45.4205 -139.635 GPRESSURE: 4408200 20.0284 -48.2861 116.068 -180.5 49.4311 52.0943 131.426 124.178 -96.936 PRESSAVG: 4408200 51.2322 2.46606 -2.81992 2.466 -37.7863 12.0023 -2.81995 12.0023 -4.56408 GPRESSAVG: 4408200 51.4465 3.72741 -3.29816 2.56935 -37.8631 12.3418 -4.06763 12.8457 -5.00604 TIMING: 4408200 CPU: 12761.3, 0.00287204/step Wall: 12761.3, 0.00287204/step, 0.472132 hours remaining, 211.125000 MB of memory in use. ENERGY: 4408200 697.6054 2032.7789 1953.3801 120.2661 -206706.9530 17994.6367 0.0000 0.0000 34189.6317 -149718.6540 298.5866 -183908.2857 -149626.5919 297.2729 -40.1284 -9.1589 558663.5410 2.9606 2.8591 LDB: ============= START OF LOAD BALANCING ============== 12764.7 LDB: ============== END OF LOAD BALANCING =============== 12764.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12764.7 LDB: ============= START OF LOAD BALANCING ============== 12765 LDB: Largest compute 4773 load 0.026138 is 22.1% of average load 0.118061 LDB: Average compute 0.001725 is 1.5% of average load 0.118061 LDB: TIME 12765 LOAD: AVG 0.118061 MAX 0.179803 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.156 MB LDB: TIME 12765 LOAD: AVG 0.118061 MAX 0.179803 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: TIME 12765 LOAD: AVG 0.118061 MAX 0.179803 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.156 MB LDB: ============== END OF LOAD BALANCING =============== 12765 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12765 PRESSURE: 4408400 -62.258 49.3044 44.5555 49.305 503.296 -44.7808 44.5557 -44.7805 -216.773 GPRESSURE: 4408400 13.4392 10.7737 9.40109 83.0005 486.979 -82.7026 123.198 -30.2828 -164.304 PRESSAVG: 4408400 -27.7846 42.3028 6.76056 42.3028 76.0488 17.374 6.76056 17.374 -27.9374 GPRESSAVG: 4408400 -27.0211 40.4517 6.16703 41.7709 75.9587 17.5393 8.2131 17.9511 -28.0389 TIMING: 4408400 CPU: 12761.9, 0.00293152/step Wall: 12761.9, 0.00293152/step, 0.481747 hours remaining, 210.156250 MB of memory in use. ENERGY: 4408400 768.3071 2093.4786 1961.2233 114.0811 -206772.9857 18042.1706 0.0000 0.0000 34128.3295 -149665.3955 298.0512 -183793.7250 -149570.7479 297.3681 74.7549 112.0380 556663.9419 6.7756 6.9663 PRESSURE: 4408600 -160.44 -24.2953 -56.3815 -24.296 -304.385 83.986 -56.3815 83.9851 -14.0817 GPRESSURE: 4408600 -142.802 50.8826 -86.0819 30.7493 -273.842 118.737 -101.254 49.6448 27.5041 PRESSAVG: 4408600 -45.4867 23.3216 34.7078 23.3216 38.9458 8.85576 34.7078 8.8559 -40.4802 GPRESSAVG: 4408600 -46.0893 23.454 35.5509 24.8901 38.8811 9.13691 33.3624 8.05706 -40.1301 TIMING: 4408600 CPU: 12762.5, 0.00285672/step Wall: 12762.5, 0.00285672/step, 0.469296 hours remaining, 210.156250 MB of memory in use. ENERGY: 4408600 764.1962 2087.3590 1934.3232 111.5444 -206427.6592 17569.9299 0.0000 0.0000 34162.4595 -149797.8470 298.3493 -183960.3065 -149703.1110 297.5424 -159.6357 -129.7132 557264.1145 -15.6737 -15.7794 PRESSURE: 4408800 -0.947179 193.708 127.083 193.708 -11.9903 127.754 127.083 127.757 -14.7394 GPRESSURE: 4408800 59.045 44.7691 138.564 208.819 16.1975 56.1964 170.554 131.45 4.35434 PRESSAVG: 4408800 3.53288 29.5215 19.0741 29.5214 -8.99839 8.3892 19.074 8.38922 7.10879 GPRESSAVG: 4408800 4.75815 29.3931 17.1122 28.7653 -9.23626 7.96646 19.9118 6.98304 6.44993 TIMING: 4408800 CPU: 12763, 0.00286897/step Wall: 12763, 0.00286897/step, 0.471149 hours remaining, 210.156250 MB of memory in use. ENERGY: 4408800 752.7842 2120.6695 1963.2500 110.9301 -206823.8026 17939.7421 0.0000 0.0000 34128.6075 -149807.8191 298.0536 -183936.4266 -149721.3141 297.8240 -9.2256 26.5323 556452.2488 0.5478 0.6573 PRESSURE: 4409000 -228.567 13.7347 -87.2427 13.7346 -50.6134 77.8705 -87.2424 77.8697 -32.8278 GPRESSURE: 4409000 -173.891 35.3684 -21.3387 -8.32306 -15.8199 -11.5947 -93.5878 128.179 -27.6549 PRESSAVG: 4409000 0.2052 17.6068 34.8794 17.6068 -6.46947 30.1516 34.8794 30.1516 16.5582 GPRESSAVG: 4409000 -1.65983 19.3414 36.149 16.6451 -6.32799 30.958 36.6612 29.7873 17.535 TIMING: 4409000 CPU: 12763.6, 0.0028788/step Wall: 12763.6, 0.0028788/step, 0.472602 hours remaining, 210.156250 MB of memory in use. ENERGY: 4409000 716.1241 2078.6051 1937.8671 118.8503 -206498.6332 17542.7956 0.0000 0.0000 34154.9344 -149949.4566 298.2835 -184104.3910 -149855.7824 297.4690 -104.0029 -72.4551 556643.8095 3.4313 3.1824 PRESSURE: 4409200 254.961 75.9944 -114.814 75.9952 222.492 13.1495 -114.815 13.1496 80.8995 GPRESSURE: 4409200 295.322 122.95 -172.437 67.8312 260.762 -1.05377 -78.0782 10.958 104.91 PRESSAVG: 4409200 -50.6744 -4.84638 -24.6972 -4.84645 8.39359 -3.28214 -24.6972 -3.2822 38.8783 GPRESSAVG: 4409200 -50.4092 -6.33725 -27.2421 -3.45352 9.03879 -4.37483 -25.1327 -1.97029 37.6957 TIMING: 4409200 CPU: 12764.2, 0.00286737/step Wall: 12764.2, 0.00286737/step, 0.470567 hours remaining, 210.156250 MB of memory in use. ENERGY: 4409200 730.8424 2094.7994 1933.6011 120.2998 -206839.4693 18164.4598 0.0000 0.0000 33979.4690 -149815.9978 296.7512 -183795.4668 -149718.0184 297.5051 186.1176 220.3311 557187.3293 -1.1342 -1.2249 PRESSURE: 4409400 99.1529 -21.0276 94.0265 -21.0277 -160.283 2.4544 94.0266 2.45377 -26.2251 GPRESSURE: 4409400 67.2924 -8.0431 29.1947 -30.8736 -115.358 15.6152 130.852 -32.4695 54.5828 PRESSAVG: 4409400 12.9496 65.332 -48.0377 65.3321 -41.0866 -9.97994 -48.0376 -9.98006 6.67448 GPRESSAVG: 4409400 12.8578 64.8512 -46.3971 64.3194 -41.4938 -9.6861 -47.4919 -9.54848 7.59285 TIMING: 4409400 CPU: 12764.8, 0.00286465/step Wall: 12764.8, 0.00286465/step, 0.469962 hours remaining, 210.156250 MB of memory in use. ENERGY: 4409400 754.2434 2127.8674 1919.2065 117.0339 -206700.9751 17957.2216 0.0000 0.0000 34046.0563 -149779.3459 297.3327 -183825.4022 -149696.6731 297.7081 -29.1185 2.1723 558211.6585 -7.1542 -7.0144 PRESSURE: 4409600 -28.217 53.476 -38.5658 53.476 161.873 -273.759 -38.5657 -273.759 87.6774 GPRESSURE: 4409600 42.1473 65.5792 -54.3577 5.00714 167.425 -228.478 -27.0133 -196.08 108.258 PRESSAVG: 4409600 -30.8009 -6.09816 -12.1067 -6.09815 -4.28704 27.5002 -12.1067 27.5002 30.0453 GPRESSAVG: 4409600 -31.1534 -6.37894 -14.7003 -5.76264 -4.4254 27.0585 -12.9548 25.8503 30.1213 TIMING: 4409600 CPU: 12765.3, 0.00286983/step Wall: 12765.3, 0.00286983/step, 0.470651 hours remaining, 210.156250 MB of memory in use. ENERGY: 4409600 727.6749 2073.6239 1922.0836 115.9989 -206997.5704 18224.0365 0.0000 0.0000 34230.2404 -149703.9120 298.9412 -183934.1525 -149607.0016 297.4527 73.7778 105.9434 557117.1231 -1.6809 -1.8192 PRESSURE: 4409800 61.2826 -14.0948 35.1455 -14.0954 74.0798 181.3 35.145 181.299 6.23856 GPRESSURE: 4409800 108.073 -77.1558 65.11 -55.3479 96.4064 100.664 80.2471 270.478 26.2376 PRESSAVG: 4409800 2.68036 -55.178 -47.127 -55.178 7.57233 22.6642 -47.1269 22.6642 -7.03264 GPRESSAVG: 4409800 2.38164 -56.5728 -44.5158 -55.0903 8.59338 22.5588 -48.8404 24.2729 -7.91229 TIMING: 4409800 CPU: 12765.9, 0.00289016/step Wall: 12765.9, 0.00289016/step, 0.473826 hours remaining, 210.156250 MB of memory in use. ENERGY: 4409800 731.5802 2101.6898 1943.9748 121.9274 -206307.7557 17800.9114 0.0000 0.0000 33990.5414 -149617.1308 296.8479 -183607.6722 -149522.9746 298.8476 47.2003 76.9057 555605.0521 1.0734 1.0209 PRESSURE: 4410000 -203.998 -12.8786 2.83789 -12.8791 35.5335 76.9663 2.83712 76.9663 2.23593 GPRESSURE: 4410000 -203.112 -15.0229 96.1571 5.88881 80.0733 30.1338 -24.6788 17.8459 48.098 PRESSAVG: 4410000 29.7361 -41.1758 -18.7923 -41.1757 40.8241 76.812 -18.7923 76.812 -34.3448 GPRESSAVG: 4410000 30.125 -39.1591 -20.0942 -40.7655 39.8817 76.9368 -17.8116 75.5181 -33.5344 TIMING: 4410000 CPU: 12766.5, 0.00287016/step Wall: 12766.5, 0.00287016/step, 0.470387 hours remaining, 210.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4410000 745.1976 2067.9256 1952.6297 105.5615 -206603.5037 17908.7735 0.0000 0.0000 34075.7143 -149747.7015 297.5917 -183823.4158 -149646.3781 297.9986 -55.4095 -24.9801 556443.0253 12.0718 12.1574 PRESSURE: 4410200 71.0627 6.52973 -46.4104 6.52919 -56.8186 -5.24428 -46.4097 -5.24402 -145.524 GPRESSURE: 4410200 105.882 -98.9223 -96.9931 80.2792 -22.4861 -7.34029 -0.614529 -22.5517 -129.789 PRESSAVG: 4410200 -7.20314 7.69393 -24.4737 7.69392 29.8543 -11.2024 -24.4738 -11.2024 -61.7778 GPRESSAVG: 4410200 -7.15641 6.6055 -23.2937 6.23476 30.518 -13.1267 -27.2159 -10.6774 -61.989 TIMING: 4410200 CPU: 12767.1, 0.00284414/step Wall: 12767.1, 0.00284414/step, 0.465965 hours remaining, 210.156250 MB of memory in use. ENERGY: 4410200 737.5527 2043.6119 1940.4891 113.7655 -206174.6539 17609.5463 0.0000 0.0000 34078.6663 -149651.0220 297.6175 -183729.6883 -149555.5695 297.8468 -43.7601 -15.4643 556053.8730 -13.0422 -12.8758 PRESSURE: 4410400 -94.503 34.3794 -49.1572 34.3802 115.774 -97.6055 -49.1565 -97.6071 -168.522 GPRESSURE: 4410400 -107.986 44.9909 -77.6807 -5.79609 195.004 -163.616 -80.2615 -28.7776 -135.768 PRESSAVG: 4410400 64.403 -28.1177 -36.5056 -28.1176 -32.1647 -23.1185 -36.5056 -23.1185 -36.1634 GPRESSAVG: 4410400 64.1317 -26.8125 -36.2651 -26.2042 -31.4964 -21.3076 -34.5162 -22.8806 -36.2998 TIMING: 4410400 CPU: 12767.6, 0.00288382/step Wall: 12767.6, 0.00288382/step, 0.472305 hours remaining, 210.156250 MB of memory in use. ENERGY: 4410400 697.6183 2108.8764 1937.8984 103.3106 -206224.5023 17655.3554 0.0000 0.0000 34201.5873 -149519.8559 298.6910 -183721.4432 -149423.7177 298.4783 -49.0837 -16.2499 555752.8253 -1.3084 -1.2215 PRESSURE: 4410600 206.008 -218.763 116.985 -218.763 154.091 33.1366 116.984 33.1382 -217.088 GPRESSURE: 4410600 280.27 -209.32 95.5779 -208.425 160.959 2.67523 156.501 31.3514 -195.684 PRESSAVG: 4410600 55.1838 -18.3101 14.0417 -18.31 22.9416 -27.2493 14.0418 -27.2492 -92.477 GPRESSAVG: 4410600 57.106 -21.3694 14.9243 -16.934 21.7684 -27.0453 14.1532 -27.6877 -92.4199 TIMING: 4410600 CPU: 12768.2, 0.00287082/step Wall: 12768.2, 0.00287082/step, 0.470017 hours remaining, 210.156250 MB of memory in use. ENERGY: 4410600 709.7758 2164.2699 1930.6898 109.7317 -206379.2932 17664.3353 0.0000 0.0000 34393.4803 -149407.0104 300.3668 -183800.4907 -149310.5305 299.2759 47.6706 81.8484 556390.1364 -4.7839 -4.5151 PRESSURE: 4410800 55.4399 6.38323 -58.9928 6.38196 -45.1694 24.9234 -58.9917 24.9222 233.812 GPRESSURE: 4410800 130.598 24.7808 20.3313 -21.2619 -48.9642 5.2136 -162.84 12.9207 247.417 PRESSAVG: 4410800 6.82788 -59.5351 10.6687 -59.5351 49.4712 2.41488 10.6686 2.41479 -17.6343 GPRESSAVG: 4410800 5.7372 -58.6309 9.64093 -62.2673 50.5523 2.23303 11.1671 2.29748 -17.4023 TIMING: 4410800 CPU: 12768.8, 0.00287494/step Wall: 12768.8, 0.00287494/step, 0.470532 hours remaining, 210.156250 MB of memory in use. ENERGY: 4410800 739.1957 2095.7256 1940.9634 110.8418 -206394.5035 17923.4825 0.0000 0.0000 34179.3263 -149404.9683 298.4966 -183584.2945 -149314.1263 299.2056 81.3609 109.6834 557320.8638 12.8883 12.9624 PRESSURE: 4411000 236.348 -0.640602 -20.0944 -0.641062 -62.0184 61.6103 -20.0944 61.6094 -22.0706 GPRESSURE: 4411000 239.925 69.9385 -137.396 73.2001 6.88482 65.4063 99.4981 167.406 -6.82613 PRESSAVG: 4411000 28.3605 15.9692 -38.2211 15.9692 -21.418 37.9936 -38.2211 37.9936 -31.6848 GPRESSAVG: 4411000 28.1862 17.1237 -40.0833 18.1397 -22.968 38.7727 -38.478 38.6176 -30.553 TIMING: 4411000 CPU: 12769.4, 0.0028794/step Wall: 12769.4, 0.0028794/step, 0.471101 hours remaining, 210.156250 MB of memory in use. ENERGY: 4411000 731.1798 2040.7635 1947.9227 120.8926 -206552.9216 17992.2975 0.0000 0.0000 34267.2783 -149452.5871 299.2647 -183719.8654 -149353.7850 298.6897 50.7530 79.9944 556105.4846 -8.2475 -8.4449 PRESSURE: 4411200 -13.6514 -138.475 82.6285 -138.473 67.8644 -48.2737 82.6277 -48.2724 -111.965 GPRESSURE: 4411200 52.8469 13.2132 81.8479 -97.4533 48.5226 -45.9692 80.85 -50.6998 -73.158 PRESSAVG: 4411200 31.5908 -24.8673 11.8249 -24.8674 13.7157 -55.4081 11.8249 -55.4081 -1.43615 GPRESSAVG: 4411200 33.3637 -24.6618 12.5698 -25.0712 13.5572 -54.6109 12.016 -57.7507 -2.72847 TIMING: 4411200 CPU: 12769.9, 0.00289564/step Wall: 12769.9, 0.00289564/step, 0.473599 hours remaining, 210.156250 MB of memory in use. ENERGY: 4411200 759.6143 2063.5939 1946.2803 109.8869 -206716.7350 17959.4430 0.0000 0.0000 34140.6706 -149737.2460 298.1590 -183877.9166 -149639.0402 297.8624 -19.2508 9.4039 556356.6989 14.6234 14.7308 PRESSURE: 4411400 -98.6963 -29.1193 -119.741 -29.1171 117.612 -23.3667 -119.742 -23.3653 -371.191 GPRESSURE: 4411400 -35.2204 29.3303 -150.043 7.56824 107.741 -53.1317 -166.816 -4.76708 -330.319 PRESSAVG: 4411400 -32.7237 5.15283 13.2298 5.15286 65.7343 14.9486 13.2298 14.9487 -33.7918 GPRESSAVG: 4411400 -34.5256 6.87597 12.7545 3.88681 67.5439 13.801 13.974 13.3327 -33.0966 TIMING: 4411400 CPU: 12770.5, 0.00287865/step Wall: 12770.5, 0.00287865/step, 0.470659 hours remaining, 210.156250 MB of memory in use. ENERGY: 4411400 720.4675 2096.8299 1888.7074 100.2927 -206159.1107 17609.6134 0.0000 0.0000 34221.7770 -149521.4228 298.8673 -183743.1998 -149419.6356 298.1010 -117.4254 -85.9327 557081.8078 -0.2604 -0.0261 PRESSURE: 4411600 -110.947 59.2984 50.2407 59.2987 -17.6759 36.6652 50.2412 36.6669 -292.79 GPRESSURE: 4411600 -69.6548 172.588 -51.3166 3.35317 -33.1924 15.378 80.5238 38.7194 -223.83 PRESSAVG: 4411600 -54.9733 -24.1845 23.7001 -24.1846 59.3586 -25.6633 23.7 -25.6632 -42.407 GPRESSAVG: 4411600 -55.1563 -24.7888 23.8724 -24.6052 58.0713 -26.6645 23.8932 -22.7291 -42.0784 TIMING: 4411600 CPU: 12771.1, 0.00287274/step Wall: 12771.1, 0.00287274/step, 0.469534 hours remaining, 210.156250 MB of memory in use. ENERGY: 4411600 748.3117 2092.7838 1939.9233 125.1379 -206236.3790 17729.0789 0.0000 0.0000 34243.1445 -149357.9990 299.0539 -183601.1434 -149260.8142 298.9303 -140.4710 -108.8925 556074.7908 -12.6739 -13.0545 PRESSURE: 4411800 -27.3096 -229.425 10.8371 -229.425 -34.9598 -48.2273 10.8358 -48.2268 -67.7215 GPRESSURE: 4411800 28.5986 -225.7 -63.1272 -172.978 5.61565 2.38924 62.0023 -29.6933 -69.7323 PRESSAVG: 4411800 24.7046 -39.8079 -29.0927 -39.808 -41.3695 -20.2346 -29.0927 -20.2346 -27.6892 GPRESSAVG: 4411800 25.784 -41.3131 -27.8602 -37.6023 -40.7534 -19.5282 -30.0398 -21.1236 -28.9484 TIMING: 4411800 CPU: 12771.7, 0.00291338/step Wall: 12771.7, 0.00291338/step, 0.476014 hours remaining, 210.156250 MB of memory in use. ENERGY: 4411800 727.9585 2159.3259 1922.3824 120.1099 -206287.8110 17723.0534 0.0000 0.0000 34290.8188 -149344.1622 299.4702 -183634.9809 -149246.8028 299.3681 -43.3303 -11.8393 557247.9136 -14.7847 -14.6392 PRESSURE: 4412000 241.919 84.2456 -88.3697 84.2451 26.4817 -68.0035 -88.3715 -68.0023 -162.758 GPRESSURE: 4412000 285.831 96.4946 -72.1279 55.2531 40.4565 -80.1243 -31.5445 -44.2309 -134.177 PRESSAVG: 4412000 4.6962 -20.0572 -53.8281 -20.0571 -2.88014 1.94352 -53.8281 1.94355 0.703309 GPRESSAVG: 4412000 4.54322 -20.1544 -53.6186 -20.7951 -3.5937 3.03494 -53.2513 0.910638 0.803864 TIMING: 4412000 CPU: 12772.3, 0.00292591/step Wall: 12772.3, 0.00292591/step, 0.477899 hours remaining, 210.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4412000 748.2408 2108.9928 1937.0968 121.9103 -206410.6066 17750.7053 0.0000 0.0000 34206.7093 -149536.9513 298.7357 -183743.6606 -149434.3943 299.0752 35.2143 64.0370 556151.3088 0.8398 0.5845 PRESSURE: 4412200 -12.1486 106.078 231.151 106.078 11.8313 0.509119 231.152 0.508917 -67.6208 GPRESSURE: 4412200 40.5521 74.5497 241.157 96.6642 74.4768 4.53766 159.849 41.6536 -80.4673 PRESSAVG: 4412200 -0.980432 -51.9465 21.9083 -51.9464 -4.4238 37.1967 21.9083 37.1966 5.88445 GPRESSAVG: 4412200 -1.16372 -52.7069 23.0973 -54.4149 -3.16359 35.3265 22.0071 38.0669 5.65833 TIMING: 4412200 CPU: 12772.8, 0.00290538/step Wall: 12772.8, 0.00290538/step, 0.474384 hours remaining, 210.156250 MB of memory in use. ENERGY: 4412200 771.5864 2062.8396 1925.6080 107.3873 -206136.1393 17726.4824 0.0000 0.0000 34180.9689 -149361.2667 298.5109 -183542.2356 -149260.7995 298.7241 -22.6461 11.5205 557038.9519 0.1601 0.4437 LDB: ============= START OF LOAD BALANCING ============== 12776.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12776.2 LDB: =============== DONE WITH MIGRATION ================ 12776.2 LDB: ============= START OF LOAD BALANCING ============== 12776.5 LDB: Largest compute 4773 load 0.027680 is 23.4% of average load 0.118103 LDB: Average compute 0.001726 is 1.5% of average load 0.118103 LDB: TIME 12776.5 LOAD: AVG 0.118103 MAX 0.178487 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.98 MB LDB: TIME 12776.5 LOAD: AVG 0.118103 MAX 0.178487 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.184 MB LDB: TIME 12776.5 LOAD: AVG 0.118103 MAX 0.178487 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12776.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12776.5 PRESSURE: 4412400 42.78 -166.228 11.3477 -166.228 39.4483 140.617 11.3476 140.617 -295.762 GPRESSURE: 4412400 29.8036 -194.016 104.494 -126.226 89.2681 155.421 -34.2948 112.44 -229.926 PRESSAVG: 4412400 -12.3899 61.1115 14.7485 61.1115 -15.4019 30.0996 14.7486 30.0997 22.0382 GPRESSAVG: 4412400 -11.5801 62.1888 15.1545 60.8764 -17.7283 29.0532 14.9139 31.6202 23.606 TIMING: 4412400 CPU: 12773.4, 0.00294384/step Wall: 12773.4, 0.00294384/step, 0.4805 hours remaining, 210.925781 MB of memory in use. ENERGY: 4412400 771.3872 2073.0026 1938.9003 109.5990 -206213.8386 17713.7040 0.0000 0.0000 34201.6449 -149405.6006 298.6915 -183607.2455 -149309.0877 299.3765 -71.1780 -36.9514 557291.0956 -1.9179 -1.9008 PRESSURE: 4412600 -18.4619 13.9735 -70.5403 13.9743 52.8536 81.8491 -70.5392 81.8507 121.097 GPRESSURE: 4412600 59.6448 -28.4054 -73.1798 50.9516 63.587 -17.1455 -5.21329 169.356 139.451 PRESSAVG: 4412600 -47.4226 -18.2415 65.8678 -18.2416 19.8174 42.4815 65.8679 42.4815 41.7261 GPRESSAVG: 4412600 -47.772 -16.4378 66.9386 -17.0887 20.0481 42.7436 64.6012 41.9227 41.0749 TIMING: 4412600 CPU: 12774, 0.00287886/step Wall: 12774, 0.00287886/step, 0.469735 hours remaining, 210.925781 MB of memory in use. ENERGY: 4412600 744.0801 2086.9789 1946.2587 102.5687 -206317.1589 17905.6701 0.0000 0.0000 34049.2925 -149482.3098 297.3609 -183531.6024 -149385.5749 298.7397 51.8295 87.5610 557334.1731 4.7070 4.4503 PRESSURE: 4412800 162.902 42.7184 -18.7724 42.7185 -53.354 -101.869 -18.7719 -101.87 195.222 GPRESSURE: 4412800 159.145 64.5234 12.869 -0.76014 52.3938 -58.416 -60.4112 -55.1884 168.017 PRESSAVG: 4412800 -26.4705 39.2879 20.0928 39.2879 -7.7823 6.73775 20.0927 6.73777 34.8378 GPRESSAVG: 4412800 -26.5353 38.7666 18.035 40.5525 -8.28208 8.50905 19.8123 5.4541 35.4582 TIMING: 4412800 CPU: 12774.6, 0.00285783/step Wall: 12774.6, 0.00285783/step, 0.466144 hours remaining, 210.925781 MB of memory in use. ENERGY: 4412800 725.1755 2106.0357 1932.2518 117.7258 -206466.3679 17939.2249 0.0000 0.0000 34077.4743 -149568.4799 297.6071 -183645.9542 -149482.7175 298.4639 101.5900 126.5187 556523.5591 0.1950 0.2136 PRESSURE: 4413000 -269.234 -34.1288 -41.5089 -34.1291 -10.3782 -200.926 -41.5093 -200.927 57.239 GPRESSURE: 4413000 -231.38 -13.6425 44.2632 16.9028 50.1414 -135.726 -108.916 -200.82 59.9686 PRESSAVG: 4413000 -41.4617 -13.7794 -45.5338 -13.7794 -17.405 -26.2396 -45.5337 -26.2396 48.0914 GPRESSAVG: 4413000 -40.4735 -15.2158 -43.4902 -12.752 -18.0387 -27.6374 -46.3464 -25.5887 47.5823 TIMING: 4413000 CPU: 12775.2, 0.0028784/step Wall: 12775.2, 0.0028784/step, 0.469338 hours remaining, 210.925781 MB of memory in use. ENERGY: 4413000 769.2967 2068.0904 1940.8348 120.3164 -206283.5265 17873.4216 0.0000 0.0000 34141.9131 -149369.6536 298.1698 -183511.5667 -149273.3337 298.6733 -74.1244 -40.4235 559391.7243 -3.5918 -3.6433 PRESSURE: 4413200 -225.531 -139.296 202.99 -139.297 347.755 106.9 202.992 106.9 55.7327 GPRESSURE: 4413200 -115.903 -95.7547 143.187 -99.8137 301.718 105.776 206.212 146.765 81.279 PRESSAVG: 4413200 -3.77154 54.1002 -47.1581 54.1002 16.9562 -25.7576 -47.158 -25.7577 9.29104 GPRESSAVG: 4413200 -4.78766 54.5016 -48.8077 52.4733 18.8647 -26.0881 -44.9697 -24.2938 8.63086 TIMING: 4413200 CPU: 12775.7, 0.00290675/step Wall: 12775.7, 0.00290674/step, 0.473799 hours remaining, 211.125000 MB of memory in use. ENERGY: 4413200 759.2431 2046.5038 1932.1911 109.0274 -206636.6496 18040.1146 0.0000 0.0000 34218.1021 -149531.4675 298.8352 -183749.5695 -149429.9698 298.1441 59.3188 89.0313 558381.0108 7.4919 7.5693 PRESSURE: 4413400 -98.2998 73.0293 39.9194 73.029 -178.508 -13.9235 39.9194 -13.9212 -273.226 GPRESSURE: 4413400 -68.4369 95.0709 46.5832 61.9133 -171.317 -24.9031 73.8271 -34.9382 -217.54 PRESSAVG: 4413400 15.5262 0.00107276 -30.9176 0.00109652 -42.2136 44.15 -30.9175 44.1502 -47.2793 GPRESSAVG: 4413400 16.7955 0.704378 -30.8983 0.687094 -43.6068 45.0031 -31.7471 43.7495 -47.2084 TIMING: 4413400 CPU: 12776.3, 0.0028837/step Wall: 12776.3, 0.0028837/step, 0.469884 hours remaining, 211.125000 MB of memory in use. ENERGY: 4413400 715.5277 2068.3400 1942.0579 104.6959 -205935.8092 17639.0836 0.0000 0.0000 33944.8211 -149521.2830 296.4486 -183466.1041 -149422.0829 297.9875 -183.3446 -152.4312 559414.4605 -24.6556 -24.6733 PRESSURE: 4413600 288.22 45.5372 23.0913 45.5374 288.859 -172.269 23.0912 -172.269 166.619 GPRESSURE: 4413600 290.973 41.8179 -20.9005 120.147 323.165 -162.549 69.4874 -133.732 219.328 PRESSAVG: 4413600 64.619 -26.4739 -35.0231 -26.4739 -40.0413 -28.8359 -35.0231 -28.8359 -12.0981 GPRESSAVG: 4413600 64.0862 -28.2092 -35.3838 -25.8042 -39.262 -28.1756 -34.5961 -29.9701 -12.1881 TIMING: 4413600 CPU: 12776.9, 0.00286484/step Wall: 12776.9, 0.00286484/step, 0.466651 hours remaining, 211.125000 MB of memory in use. ENERGY: 4413600 736.2750 2048.4274 1965.3366 124.7281 -206612.7574 18127.7794 0.0000 0.0000 34146.1341 -149464.0769 298.2067 -183610.2109 -149363.6289 298.4593 247.8995 277.8223 557614.3418 4.1599 4.2120 PRESSURE: 4413800 -96.0904 -133.189 126.418 -133.19 -62.8538 -36.589 126.418 -36.5894 3.22493 GPRESSURE: 4413800 -81.1774 -133.841 136.444 -104.027 -35.4634 -0.36815 110.273 -93.3325 39.8437 PRESSAVG: 4413800 61.1576 23.5336 -37.7737 23.5336 5.22702 -53.0565 -37.7737 -53.0565 -23.9056 GPRESSAVG: 4413800 61.8776 23.4779 -36.9129 22.5149 4.2032 -52.5457 -38.617 -53.3434 -23.3244 TIMING: 4413800 CPU: 12777.5, 0.00286204/step Wall: 12777.5, 0.00286204/step, 0.466036 hours remaining, 211.125000 MB of memory in use. ENERGY: 4413800 746.6934 2118.5695 1915.9121 111.3622 -206369.0461 17875.3350 0.0000 0.0000 34152.2354 -149448.9384 298.2600 -183601.1739 -149346.9775 298.3827 -51.9064 -25.5991 558302.8644 14.1597 14.2521 PRESSURE: 4414000 158.379 -76.5495 15.2596 -76.5509 -106.325 -98.3188 15.2596 -98.3194 5.00789 GPRESSURE: 4414000 179.733 -125.557 29.1294 44.6745 -122.47 -124.801 31.6861 -30.6016 92.6453 PRESSAVG: 4414000 14.0518 26.4029 -24.8596 26.4029 35.3774 -6.163 -24.8596 -6.16298 -49.4882 GPRESSAVG: 4414000 12.0675 28.7826 -26.0351 25.0548 36.4798 -7.73571 -25.4392 -3.41192 -48.5541 TIMING: 4414000 CPU: 12778, 0.00286801/step Wall: 12778, 0.00286801/step, 0.466848 hours remaining, 211.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4414000 724.5659 2152.4898 1926.3027 109.2639 -206423.0550 17815.9805 0.0000 0.0000 34252.5984 -149441.8539 299.1365 -183694.4522 -149344.4230 298.3326 19.0204 49.9694 556554.2757 -0.0197 -0.0022 PRESSURE: 4414200 -3.96641 39.9211 -13.2636 39.9211 62.1903 -15.5038 -13.2621 -15.5031 -50.8854 GPRESSURE: 4414200 75.377 40.3412 -54.4406 -3.84245 35.902 54.095 44.155 -3.80443 -19.2452 PRESSAVG: 4414200 -28.1557 -36.5585 -56.9592 -36.5585 45.9629 -30.6075 -56.9592 -30.6074 22.2204 GPRESSAVG: 4414200 -28.3188 -37.4999 -52.7686 -34.094 46.6942 -30.5956 -56.3647 -32.3341 21.6347 TIMING: 4414200 CPU: 12778.6, 0.00285283/step Wall: 12778.6, 0.00285283/step, 0.464219 hours remaining, 211.125000 MB of memory in use. ENERGY: 4414200 779.7493 2074.6497 1941.0358 116.9149 -206483.7614 17980.8483 0.0000 0.0000 34102.6296 -149487.9339 297.8267 -183590.5635 -149386.2239 298.4909 2.4462 30.6779 555455.1304 13.3425 13.3367 PRESSURE: 4414400 146.795 -114.973 74.3827 -114.972 -13.7779 -4.06438 74.3828 -4.06637 18.3197 GPRESSURE: 4414400 163.666 -104.564 -95.6089 -132.119 54.1821 -4.46308 118.716 24.1715 17.7529 PRESSAVG: 4414400 -21.4187 -21.0221 -26.376 -21.0221 -27.9431 16.5871 -26.3759 16.5871 27.7243 GPRESSAVG: 4414400 -20.3727 -20.177 -31.7047 -22.238 -27.4664 17.3155 -23.7153 16.2673 26.0182 TIMING: 4414400 CPU: 12779.2, 0.00285654/step Wall: 12779.2, 0.00285654/step, 0.464663 hours remaining, 211.125000 MB of memory in use. ENERGY: 4414400 765.6122 2075.0391 1905.4614 111.0699 -206366.8387 17832.0368 0.0000 0.0000 34246.6167 -149431.0026 299.0842 -183677.6193 -149335.9629 297.7394 50.4457 78.5337 556688.3140 -7.2125 -7.2736 PRESSURE: 4414600 -33.1523 25.7702 148.785 25.772 -55.414 -80.1112 148.785 -80.1127 51.6483 GPRESSURE: 4414600 27.352 -33.4049 101.068 61.0932 -26.3107 -43.9839 174.328 -15.8825 59.1849 PRESSAVG: 4414600 4.71239 15.9298 -24.9549 15.9298 -15.4018 -26.7811 -24.9549 -26.7811 58.9533 GPRESSAVG: 4414600 4.78197 15.4568 -24.769 15.1631 -16.1626 -27.6716 -27.6272 -25.2229 59.9387 TIMING: 4414600 CPU: 12779.7, 0.00287761/step Wall: 12779.7, 0.00287761/step, 0.467932 hours remaining, 211.195312 MB of memory in use. ENERGY: 4414600 777.9098 2112.2514 1943.6085 113.2806 -206440.3183 17765.3604 0.0000 0.0000 34094.3894 -149633.5183 297.7548 -183727.9076 -149543.3414 298.0026 -12.3060 20.0754 555732.6358 16.0880 16.1860 PRESSURE: 4414800 -95.8078 110.76 -8.01714 110.759 55.2723 -64.6033 -8.01604 -64.6021 -250.476 GPRESSURE: 4414800 -53.5798 18.9873 -96.2582 211.232 96.5669 -41.9401 -23.2472 -55.2414 -229.656 PRESSAVG: 4414800 -52.0829 13.1 -5.38943 13.1 33.013 2.75567 -5.38957 2.75571 30.8474 GPRESSAVG: 4414800 -52.1098 13.088 -3.35371 14.8389 33.2809 2.79312 -5.42163 3.97018 30.4598 TIMING: 4414800 CPU: 12780.3, 0.00289862/step Wall: 12780.3, 0.00289862/step, 0.471187 hours remaining, 211.195312 MB of memory in use. ENERGY: 4414800 769.5694 2014.7049 1950.7735 125.9491 -206262.2727 17735.6414 0.0000 0.0000 34066.2358 -149599.3986 297.5089 -183665.6344 -149496.3175 297.9245 -97.0040 -62.2230 556331.4579 3.9258 3.8770 PRESSURE: 4415000 0.660342 292.338 1.6887 292.339 23.4129 66.879 1.68757 66.8791 -22.3192 GPRESSURE: 4415000 65.3039 246.805 78.2973 313.095 42.1705 16.2438 -11.2071 121.16 -8.13866 PRESSAVG: 4415000 15.5251 0.399841 49.044 0.399908 46.9212 7.13634 49.044 7.13634 -6.90782 GPRESSAVG: 4415000 16.4918 -1.27451 47.7498 1.02664 46.6067 8.9415 49.6954 4.04383 -7.12299 TIMING: 4415000 CPU: 12780.9, 0.00289583/step Wall: 12780.9, 0.00289583/step, 0.470573 hours remaining, 211.195312 MB of memory in use. ENERGY: 4415000 725.8225 2084.2124 1934.9163 114.6826 -206217.2117 17773.2919 0.0000 0.0000 34171.0807 -149413.2053 298.4245 -183584.2860 -149314.7700 298.0543 0.5847 33.1119 555837.6155 18.5128 18.6585 PRESSURE: 4415200 -71.4768 73.7111 121.336 73.7097 37.5398 5.41756 121.336 5.41783 -58.36 GPRESSURE: 4415200 -35.6202 105.676 130.64 76.1154 66.5036 -27.2215 79.3792 70.4562 -25.1544 PRESSAVG: 4415200 5.92536 47.8852 39.7692 47.8853 -88.3472 -13.7661 39.7693 -13.7662 30.9257 GPRESSAVG: 4415200 4.94355 50.3591 41.5806 45.2 -87.9679 -13.1291 40.2614 -12.9184 31.4579 TIMING: 4415200 CPU: 12781.5, 0.00288799/step Wall: 12781.5, 0.00288799/step, 0.469138 hours remaining, 211.195312 MB of memory in use. ENERGY: 4415200 750.9315 2058.4731 1913.1501 108.4739 -206247.3388 17749.1425 0.0000 0.0000 34241.1292 -149426.0386 299.0363 -183667.1677 -149321.8478 298.4906 -30.7657 1.9097 556101.8384 -17.1654 -17.1888 PRESSURE: 4415400 -98.6407 3.89073 -78.3416 3.88942 -98.5209 38.7619 -78.3413 38.7617 124.98 GPRESSURE: 4415400 -82.4783 -49.1278 -153.524 15.5699 -24.4548 -13.2305 -23.2567 15.8584 123.164 PRESSAVG: 4415400 -45.3469 -4.31964 -23.8714 -4.31962 27.5788 -12.2744 -23.8713 -12.2745 49.0894 GPRESSAVG: 4415400 -45.6092 -5.28877 -23.7398 -1.9148 28.3984 -14.2575 -23.7271 -10.6501 48.537 TIMING: 4415400 CPU: 12782.1, 0.00288293/step Wall: 12782.1, 0.00288293/step, 0.468155 hours remaining, 211.195312 MB of memory in use. ENERGY: 4415400 738.5861 2145.7069 1945.4925 112.2957 -206459.1398 17806.5968 0.0000 0.0000 34269.3796 -149441.0822 299.2830 -183710.4618 -149350.5133 298.8819 -24.0605 5.4104 558274.4554 10.4404 10.4421 PRESSURE: 4415600 -218.886 109.169 23.3203 109.171 308.971 101.702 23.3211 101.703 44.9161 GPRESSURE: 4415600 -178.896 138.102 -96.7824 117.167 347.889 148.302 2.60288 101.713 72.0418 PRESSAVG: 4415600 -30.524 -33.1523 18.8917 -33.1523 37.0962 30.128 18.8918 30.1281 -53.6723 GPRESSAVG: 4415600 -31.3167 -33.4442 18.8418 -34.369 36.5192 30.7482 17.3619 27.0803 -53.0741 TIMING: 4415600 CPU: 12782.6, 0.00289332/step Wall: 12782.6, 0.00289332/step, 0.469682 hours remaining, 211.195312 MB of memory in use. ENERGY: 4415600 747.4697 2079.8159 1932.4834 110.2803 -206575.3845 17926.4890 0.0000 0.0000 34314.5283 -149464.3178 299.6773 -183778.8461 -149365.5045 298.7879 45.0006 80.3450 557302.4037 -15.7000 -15.9572 PRESSURE: 4415800 92.5324 -70.2984 78.0411 -70.2981 64.8096 -115.041 78.0412 -115.041 101.564 GPRESSURE: 4415800 142.159 -142.136 71.9313 -102.315 130.21 -132.311 134.436 -139.104 78.3928 PRESSAVG: 4415800 -15.456 -23.1291 4.41615 -23.1292 33.0774 36.7248 4.4161 36.7247 5.09807 GPRESSAVG: 4415800 -14.555 -23.3216 3.4403 -21.4812 32.6922 36.7797 5.38125 37.8589 4.53102 TIMING: 4415800 CPU: 12783.2, 0.00287243/step Wall: 12783.2, 0.00287243/step, 0.466132 hours remaining, 211.195312 MB of memory in use. ENERGY: 4415800 714.8394 2135.8685 1929.2163 125.4609 -206510.0831 17936.6675 0.0000 0.0000 34234.4218 -149433.6087 298.9777 -183668.0305 -149339.0791 298.6314 86.3021 116.9205 557642.5208 7.5732 7.5561 PRESSURE: 4416000 72.8779 -213.633 -81.8027 -213.634 161.7 -28.5337 -81.8031 -28.5329 -33.4064 GPRESSURE: 4416000 113.971 -207.635 -63.9498 -202 179.216 -2.38358 -58.1281 -91.847 15.0357 PRESSAVG: 4416000 -5.62465 -40.51 13.0403 -40.51 -25.6336 -7.11558 13.0402 -7.11562 -2.55974 GPRESSAVG: 4416000 -5.523 -40.1937 12.5658 -40.9804 -25.7557 -8.79241 13.7652 -5.59716 -2.63066 TIMING: 4416000 CPU: 12783.8, 0.00287388/step Wall: 12783.8, 0.00287388/step, 0.466207 hours remaining, 211.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4416000 713.2782 2109.8836 1938.7902 123.8350 -206319.4334 17916.2856 0.0000 0.0000 34311.3444 -149206.0164 299.6495 -183517.3608 -149105.3911 298.9296 67.0571 102.7410 558297.7848 -11.2727 -11.3031 PRESSURE: 4416200 -70.5723 -171.615 -78.538 -171.614 152.378 -36.2952 -78.5372 -36.2942 172.708 GPRESSURE: 4416200 -21.0494 -159.126 -37.1303 -160.522 149.865 -57.0697 -51.5257 -67.838 227.973 PRESSAVG: 4416200 -12.1565 9.85403 -41.5932 9.85401 44.0868 32.785 -41.5933 32.785 -1.48501 GPRESSAVG: 4416200 -12.0279 10.637 -38.9401 7.56676 44.0597 36.5036 -43.1661 29.9856 -1.36563 TIMING: 4416200 CPU: 12784.4, 0.002871/step Wall: 12784.4, 0.002871/step, 0.465581 hours remaining, 211.195312 MB of memory in use. ENERGY: 4416200 726.7227 2116.2564 1951.1782 119.9255 -206425.9592 17940.6435 0.0000 0.0000 34282.8487 -149288.3843 299.4006 -183571.2330 -149196.3075 299.5830 84.8378 118.9298 556400.9008 10.1484 10.2220 LDB: ============= START OF LOAD BALANCING ============== 12787.7 LDB: ============== END OF LOAD BALANCING =============== 12787.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12787.7 LDB: ============= START OF LOAD BALANCING ============== 12788 LDB: Largest compute 4773 load 0.026074 is 22.1% of average load 0.118013 LDB: Average compute 0.001728 is 1.5% of average load 0.118013 LDB: TIME 12788 LOAD: AVG 0.118013 MAX 0.179349 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.645 MB LDB: TIME 12788 LOAD: AVG 0.118013 MAX 0.179349 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: TIME 12788 LOAD: AVG 0.118013 MAX 0.179349 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12788 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 PRESSURE: 4416400 -61.1408 -49.3533 -124.436 -49.3524 -245.176 -65.4129 -124.436 -65.414 -90.6337 GPRESSURE: 4416400 28.501 -28.7708 -58.3432 -99.0941 -245.79 -30.6814 -189.627 -11.3913 -78.7044 PRESSAVG: 4416400 9.91535 -35.4942 15.908 -35.4942 88.9399 -27.139 15.908 -27.139 -106.811 GPRESSAVG: 4416400 10.3309 -35.601 14.5392 -34.7068 89.6548 -28.5003 16.9967 -25.4656 -108.634 TIMING: 4416400 CPU: 12784.9, 0.00293016/step Wall: 12784.9, 0.00293016/step, 0.475012 hours remaining, 209.644531 MB of memory in use. ENERGY: 4416400 743.1591 2161.3473 1929.7088 105.6470 -206201.8488 17664.5421 0.0000 0.0000 34567.7439 -149029.7007 301.8887 -183597.4445 -148925.1540 299.3318 -132.3169 -98.6646 556274.9827 -2.6521 -2.8828 PRESSURE: 4416600 -133.927 -124.465 -104.853 -124.464 98.6473 20.7216 -104.854 20.722 -41.1995 GPRESSURE: 4416600 -58.037 -126.445 -97.5193 -69.2941 81.4564 47.6923 -85.7186 -28.9364 -3.53354 PRESSAVG: 4416600 -9.10363 6.30495 -41.2438 6.30491 10.1397 -43.6411 -41.2439 -43.6411 9.39289 GPRESSAVG: 4416600 -10.1337 4.30049 -41.012 6.55181 8.84778 -43.6139 -41.9615 -42.9396 10.9306 TIMING: 4416600 CPU: 12785.5, 0.00289802/step Wall: 12785.5, 0.00289802/step, 0.46964 hours remaining, 209.847656 MB of memory in use. ENERGY: 4416600 771.2398 2142.5284 1933.5393 110.9684 -206007.7727 17767.8030 0.0000 0.0000 34448.4612 -148833.2326 300.8470 -183281.6938 -148738.5300 300.0133 -25.4931 6.6286 556418.7968 3.4763 3.2149 PRESSURE: 4416800 199.405 4.40663 -61.5775 4.40605 313.48 124.771 -61.5786 124.772 -291.244 GPRESSURE: 4416800 247.575 53.5351 12.4452 -67.5269 323.252 29.037 -139.824 144.891 -257.947 PRESSAVG: 4416800 -3.0133 26.7325 -30.0472 26.7325 14.3932 32.4222 -30.0473 32.4223 -26.2033 GPRESSAVG: 4416800 -2.32957 28.1715 -29.056 25.467 15.291 31.4235 -30.3251 31.8485 -27.7489 TIMING: 4416800 CPU: 12786.1, 0.00288431/step Wall: 12786.1, 0.00288431/step, 0.467258 hours remaining, 209.847656 MB of memory in use. ENERGY: 4416800 720.1563 2050.0464 1936.0218 117.8823 -205910.8502 17704.8696 0.0000 0.0000 34448.0945 -148933.7794 300.8438 -183381.8739 -148835.5270 300.5702 73.8804 104.2934 555635.6273 -4.9411 -4.9292 PRESSURE: 4417000 223.35 92.6818 -164.446 92.6808 70.7314 -4.24577 -164.447 -4.24644 -14.6992 GPRESSURE: 4417000 238.17 38.3068 -246.916 81.7105 144.049 82.103 -166.569 -88.4354 -16.222 PRESSAVG: 4417000 50.3644 -55.8088 -3.22758 -55.8088 19.5107 8.51042 -3.22761 8.51034 -46.3692 GPRESSAVG: 4417000 50.3185 -57.1127 -4.02571 -53.486 19.079 9.51833 -0.548935 7.9437 -45.6254 TIMING: 4417000 CPU: 12786.7, 0.00288151/step Wall: 12786.7, 0.00288151/step, 0.466644 hours remaining, 209.847656 MB of memory in use. ENERGY: 4417000 727.8502 2092.0623 1942.7220 117.2121 -206024.4616 17754.3390 0.0000 0.0000 34517.3637 -148872.9123 301.4487 -183390.2760 -148767.1417 300.8216 93.1272 121.9990 555791.4445 7.8353 7.9240 PRESSURE: 4417200 192.042 -64.4872 73.0023 -64.4885 36.0291 17.451 73.0019 17.449 -70.9844 GPRESSURE: 4417200 228.116 -82.9385 51.1097 18.6953 74.1261 94.1932 50.1423 6.20306 -36.7001 PRESSAVG: 4417200 -6.86328 17.655 18.2686 17.655 32.0777 2.66103 18.2687 2.66096 -12.3535 GPRESSAVG: 4417200 -6.22621 19.6054 18.7445 18.6599 33.1768 1.73621 15.6209 3.15905 -13.5202 TIMING: 4417200 CPU: 12787.3, 0.00288302/step Wall: 12787.3, 0.00288302/step, 0.466729 hours remaining, 209.847656 MB of memory in use. ENERGY: 4417200 762.3808 2080.4281 1905.6292 121.5002 -206142.9358 17782.1429 0.0000 0.0000 34397.4370 -149093.4176 300.4014 -183490.8547 -148992.5774 300.0546 52.3623 88.5141 556894.5874 4.2869 4.4768 PRESSURE: 4417400 22.9112 96.7435 -30.7686 96.7437 11.7118 79.5559 -30.7698 79.5552 -46.262 GPRESSURE: 4417400 115.672 63.6992 -18.5476 91.0869 6.24217 22.5815 -44.5409 100.786 -41.8517 PRESSAVG: 4417400 -27.5414 43.741 9.69124 43.7408 27.2169 30.9847 9.69121 30.9847 -21.2291 GPRESSAVG: 4417400 -27.7302 42.034 7.79014 43.9367 26.5319 30.9984 12.4484 32.2021 -20.3525 TIMING: 4417400 CPU: 12787.8, 0.00287366/step Wall: 12787.8, 0.00287366/step, 0.465053 hours remaining, 209.847656 MB of memory in use. ENERGY: 4417400 772.6621 2126.7114 1952.8853 112.5668 -206148.1069 17904.3107 0.0000 0.0000 34191.6967 -149087.2738 298.6046 -183278.9706 -148983.8046 299.2182 -3.8797 26.6874 558491.8548 -7.1845 -7.1836 PRESSURE: 4417600 -167.365 47.6195 227.797 47.6195 138.628 -166.596 227.798 -166.597 -141.642 GPRESSURE: 4417600 -130.011 12.0631 167.959 89.3007 144.068 -168.046 171.652 -169.758 -84.8808 PRESSAVG: 4417600 12.9513 0.0485863 73.9173 0.0485589 -8.42531 -50.7214 73.9172 -50.7214 -4.28435 GPRESSAVG: 4417600 11.5197 0.0191519 74.3731 0.235535 -7.21638 -50.8269 71.6375 -53.1348 -3.7711 TIMING: 4417600 CPU: 12788.4, 0.00287135/step Wall: 12788.4, 0.00287136/step, 0.464521 hours remaining, 209.847656 MB of memory in use. ENERGY: 4417600 788.4582 2122.7403 1906.2328 107.7599 -206209.6507 17927.8094 0.0000 0.0000 34370.5807 -148986.0693 300.1668 -183356.6500 -148887.9094 299.6701 -56.7930 -23.6083 558815.3230 0.0805 0.1774 PRESSURE: 4417800 75.2322 -143.146 98.498 -143.147 -226.203 112.982 98.4971 112.983 114.661 GPRESSURE: 4417800 113.011 -163.829 111.612 -138.924 -178.357 76.8346 121.016 67.8085 122.013 PRESSAVG: 4417800 -5.07155 -39.3193 63.9238 -39.3194 25.9513 -59.7123 63.9238 -59.7121 33.0717 GPRESSAVG: 4417800 -3.20314 -36.4467 63.8949 -41.7854 24.2978 -61.061 65.8812 -56.4251 32.2941 TIMING: 4417800 CPU: 12789, 0.0028783/step Wall: 12789, 0.0028783/step, 0.465485 hours remaining, 209.847656 MB of memory in use. ENERGY: 4417800 755.8873 2102.6880 1917.2337 111.5491 -205644.5479 17564.5977 0.0000 0.0000 34283.4230 -148909.1692 299.4057 -183192.5921 -148814.0246 299.5819 -12.1035 18.8890 558156.5361 17.9838 17.7963 PRESSURE: 4418000 -79.8751 -95.0001 63.3286 -94.9998 -38.6895 29.9691 63.3288 29.9709 -298.458 GPRESSURE: 4418000 -45.5452 -87.6868 4.86018 -129.143 -44.9978 98.3235 164.41 -43.1541 -217.863 PRESSAVG: 4418000 17.2772 2.50577 81.0135 2.50564 -7.29866 -25.3096 81.0135 -25.3096 -16.4145 GPRESSAVG: 4418000 15.4229 -0.776625 80.413 3.62732 -6.29042 -24.9652 82.5973 -27.178 -15.8633 TIMING: 4418000 CPU: 12789.6, 0.00288311/step Wall: 12789.6, 0.00288311/step, 0.466102 hours remaining, 209.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4418000 743.0311 2148.4504 1940.0939 121.1461 -205773.9059 17606.3877 0.0000 0.0000 34225.9330 -148988.8637 298.9036 -183214.7966 -148901.3539 299.6333 -139.0076 -102.8020 558245.8225 -2.1453 -2.2436 PRESSURE: 4418200 -230.693 -18.4025 47.4602 -18.4022 -117.82 1.37711 47.4607 1.37829 -2.13364 GPRESSURE: 4418200 -209.481 -47.8627 29.514 1.79995 -78.4756 6.38423 46.9727 0.114186 40.9293 PRESSAVG: 4418200 5.73224 13.3927 95.0821 13.3926 -48.7057 42.3843 95.0822 42.3843 44.8212 GPRESSAVG: 4418200 6.97848 12.7621 97.0093 12.7069 -49.77 44.0138 90.603 40.5246 44.5327 TIMING: 4418200 CPU: 12790.1, 0.0028938/step Wall: 12790.1, 0.0028938/step, 0.467671 hours remaining, 209.847656 MB of memory in use. ENERGY: 4418200 760.4210 2133.6306 1931.5408 108.5931 -205554.7552 17513.8573 0.0000 0.0000 34121.4094 -148985.3029 297.9908 -183106.7123 -148892.8752 300.3798 -116.8819 -82.3423 558920.2136 0.6159 0.5804 PRESSURE: 4418400 15.907 -18.1118 130.782 -18.1097 -69.2857 67.4677 130.781 67.4675 -165.134 GPRESSURE: 4418400 9.53686 33.9177 91.55 -25.5286 -4.81445 10.9268 123.373 137.111 -136.642 PRESSAVG: 4418400 52.8253 -51.1714 55.7756 -51.1713 -3.83207 13.5296 55.7757 13.5296 -36.3041 GPRESSAVG: 4418400 51.4324 -49.7047 54.9826 -50.566 -3.9548 11.4931 57.0687 16.7223 -35.2956 TIMING: 4418400 CPU: 12790.7, 0.00286419/step Wall: 12790.7, 0.00286419/step, 0.462726 hours remaining, 209.847656 MB of memory in use. ENERGY: 4418400 775.0846 2131.9282 1951.6073 114.4091 -206014.0930 17767.2028 0.0000 0.0000 34177.6730 -149096.1880 298.4821 -183273.8610 -149003.7043 300.2299 -72.8377 -43.9731 556526.2016 4.2297 4.0607 PRESSURE: 4418600 -125.423 -127.203 -48.8258 -127.204 -249.798 32.5911 -48.826 32.5902 -129.375 GPRESSURE: 4418600 -84.4496 -154.823 -8.72568 -78.723 -256.552 -10.8111 -13.9866 26.0348 -60.7709 PRESSAVG: 4418600 76.2114 -12.2865 16.044 -12.2865 -9.63527 36.0043 16.0439 36.0043 -41.2783 GPRESSAVG: 4418600 77.8699 -13.6342 14.5284 -11.3095 -9.58842 37.4621 17.4196 34.3485 -42.8098 TIMING: 4418600 CPU: 12791.3, 0.00285938/step Wall: 12791.3, 0.00285938/step, 0.461789 hours remaining, 209.847656 MB of memory in use. ENERGY: 4418600 757.3830 2088.5900 1934.6531 117.6865 -206057.9348 17604.1695 0.0000 0.0000 34456.0823 -149099.3704 300.9135 -183555.4527 -149005.5763 299.3147 -168.1988 -133.9243 557613.4918 8.4326 8.4906 PRESSURE: 4418800 84.6302 16.8204 47.425 16.8203 -268.663 91.5325 47.4248 91.5346 21.9626 GPRESSURE: 4418800 127.103 -3.3629 3.42231 -30.721 -249.732 176.619 9.15507 -26.0017 65.2844 PRESSAVG: 4418800 10.5093 30.8564 8.071 30.8564 -36.7505 48.1946 8.07103 48.1947 -4.85305 GPRESSAVG: 4418800 9.95348 28.2734 11.7609 30.1798 -36.8808 49.6692 6.66058 47.0331 -3.5222 TIMING: 4418800 CPU: 12791.9, 0.00288007/step Wall: 12791.9, 0.00288007/step, 0.464972 hours remaining, 209.847656 MB of memory in use. ENERGY: 4418800 745.9670 2086.8819 1912.7587 119.2820 -205791.5340 17540.2111 0.0000 0.0000 34307.9071 -149078.5262 299.6195 -183386.4334 -148977.0416 299.9363 -54.0234 -19.1148 556477.5096 -10.3647 -10.1498 PRESSURE: 4419000 150.234 -129.897 133.176 -129.898 -195.812 -1.55969 133.176 -1.56024 102.081 GPRESSURE: 4419000 121.873 -118.828 148.421 -67.7918 -150.36 -45.3952 147.324 50.0527 181.255 PRESSAVG: 4419000 74.3305 -8.85066 -6.43946 -8.8507 -98.8407 -18.7492 -6.43947 -18.7493 18.087 GPRESSAVG: 4419000 74.5159 -2.84612 -8.93401 -10.8517 -98.3208 -21.6208 -5.48439 -16.0675 18.0051 TIMING: 4419000 CPU: 12792.4, 0.00288274/step Wall: 12792.4, 0.00288274/step, 0.465243 hours remaining, 209.847656 MB of memory in use. ENERGY: 4419000 781.1493 2123.3915 1921.0506 108.4427 -206061.6043 17869.2305 0.0000 0.0000 34248.4380 -149009.9017 299.1001 -183258.3397 -148919.4784 299.9545 18.8341 50.9228 557792.9423 -2.1411 -1.9333 PRESSURE: 4419200 5.43445 -19.1517 83.1526 -19.1505 129.99 -86.3748 83.1512 -86.375 -146.957 GPRESSURE: 4419200 10.2204 -30.8006 130.939 -55.9233 184.582 -125.232 89.1426 -72.5524 -103.023 PRESSAVG: 4419200 -12.8798 4.56262 28.2815 4.5626 48.115 -16.8492 28.2814 -16.8493 -37.1242 GPRESSAVG: 4419200 -11.7231 1.255 27.9266 5.1652 47.6476 -15.2986 29.7077 -19.274 -37.6921 TIMING: 4419200 CPU: 12793, 0.00289649/step Wall: 12793, 0.00289649/step, 0.467301 hours remaining, 209.847656 MB of memory in use. ENERGY: 4419200 745.7510 2100.7854 1905.4110 126.0132 -206177.1004 17746.4981 0.0000 0.0000 34432.2018 -149120.4399 300.7050 -183552.6417 -149030.1215 299.3487 -3.8440 30.5930 556350.9200 -0.6297 -0.5892 PRESSURE: 4419400 234.153 81.9596 80.1367 81.9595 -76.0596 -112.896 80.1374 -112.896 162.777 GPRESSURE: 4419400 245.316 135.334 71.2562 58.1084 -47.6211 -77.9305 31.9241 -137.345 207.563 PRESSAVG: 4419400 88.311 11.4985 -4.06853 11.4984 -42.4102 -55.5625 -4.06847 -55.5626 -51.3731 GPRESSAVG: 4419400 88.3435 11.4595 -2.00544 13.4146 -41.2685 -56.3131 -5.74479 -55.1679 -53.4934 TIMING: 4419400 CPU: 12793.6, 0.00287338/step Wall: 12793.6, 0.00287338/step, 0.463412 hours remaining, 209.847656 MB of memory in use. ENERGY: 4419400 737.2845 2080.3330 1933.7199 111.2918 -206387.1400 18026.0541 0.0000 0.0000 34418.4131 -149080.0437 300.5846 -183498.4567 -148979.0730 299.3180 106.9567 135.0859 556654.1121 -1.8241 -2.1395 PRESSURE: 4419600 -246.353 76.0978 -53.038 76.0979 196.89 34.5911 -53.0386 34.5927 -31.2482 GPRESSURE: 4419600 -193.131 23.8246 -116.013 126.043 237.386 -23.1885 -64.1667 87.9324 -32.5177 PRESSAVG: 4419600 17.0699 -16.6538 -25.4129 -16.6539 23.7761 -40.472 -25.4129 -40.4719 -35.8059 GPRESSAVG: 4419600 15.929 -15.1763 -26.3837 -19.5783 23.5804 -39.3329 -25.5073 -41.1419 -34.3307 TIMING: 4419600 CPU: 12794.2, 0.00286997/step Wall: 12794.2, 0.00286997/step, 0.462702 hours remaining, 209.847656 MB of memory in use. ENERGY: 4419600 814.0219 2096.6360 1921.2759 116.7774 -206367.8873 17879.4894 0.0000 0.0000 34341.6399 -149198.0468 299.9141 -183539.6867 -149109.2858 299.4341 -26.9037 3.9126 556329.3171 1.6800 1.7262 PRESSURE: 4419800 -171.942 165.011 -15.8402 165.011 -175.412 30.2209 -15.8414 30.2212 -206.268 GPRESSURE: 4419800 -175.51 189.48 -25.9051 118.824 -172.927 41.4069 7.83398 54.101 -119.997 PRESSAVG: 4419800 -14.137 32.4431 38.3388 32.4432 -19.0372 -10.9188 38.3388 -10.9187 1.49307 GPRESSAVG: 4419800 -14.0629 31.5677 39.3042 34.8191 -19.1564 -12.2523 38.8441 -10.1606 1.92574 TIMING: 4419800 CPU: 12794.7, 0.00286684/step Wall: 12794.7, 0.00286684/step, 0.46204 hours remaining, 209.847656 MB of memory in use. ENERGY: 4419800 781.0081 2114.0213 1933.8208 132.3719 -205791.3387 17463.2227 0.0000 0.0000 34181.6799 -149185.2141 298.5171 -183366.8940 -149086.8939 299.7319 -184.5406 -156.1445 557430.2080 -10.5604 -10.4312 PRESSURE: 4420000 85.8012 -60.2414 104.939 -60.2423 159.527 70.5839 104.939 70.5845 291.846 GPRESSURE: 4420000 115.476 -12.5725 14.9716 -44.8489 218.148 15.3746 174.751 166.767 301.985 PRESSAVG: 4420000 -12.9071 -22.2251 47.066 -22.2251 19.363 -37.5414 47.066 -37.5414 9.29821 GPRESSAVG: 4420000 -12.5423 -22.5827 46.9247 -21.5388 19.2803 -37.7281 45.2822 -38.3723 9.93325 TIMING: 4420000 CPU: 12795.3, 0.00287151/step Wall: 12795.3, 0.00287151/step, 0.462632 hours remaining, 209.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4420000 787.6252 2102.5660 1930.0456 114.4566 -206443.2590 18057.6736 0.0000 0.0000 34358.1276 -149092.7644 300.0581 -183450.8920 -149004.1715 299.6543 179.0580 211.8698 556875.5728 5.2514 5.5571 PRESSURE: 4420200 -23.9995 267.115 91.1563 267.113 -105.536 -113.568 91.1562 -113.568 -105.856 GPRESSURE: 4420200 23.2018 225.896 144.582 246.351 -103.228 -13.5283 34.9114 -166.404 -51.1806 PRESSAVG: 4420200 -19.8227 20.0027 -3.85061 20.0027 51.8351 5.56086 -3.85067 5.56092 19.2939 GPRESSAVG: 4420200 -20.2029 21.6872 -4.79321 17.5057 51.7334 7.76372 -3.68077 4.3988 19.7883 TIMING: 4420200 CPU: 12795.9, 0.00290094/step Wall: 12795.9, 0.00290094/step, 0.467213 hours remaining, 209.847656 MB of memory in use. ENERGY: 4420200 767.8281 2134.9875 1916.0823 124.8285 -206350.2565 17779.8699 0.0000 0.0000 34445.8920 -149180.7682 300.8245 -183626.6601 -149085.7951 299.5927 -78.4638 -43.7356 556869.6378 17.1021 17.1063 LDB: ============= START OF LOAD BALANCING ============== 12799.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12799.3 LDB: =============== DONE WITH MIGRATION ================ 12799.3 LDB: ============= START OF LOAD BALANCING ============== 12799.6 LDB: Largest compute 4773 load 0.026350 is 22.3% of average load 0.118111 LDB: Average compute 0.001729 is 1.5% of average load 0.118111 LDB: TIME 12799.6 LOAD: AVG 0.118111 MAX 0.180256 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.699 MB LDB: TIME 12799.6 LOAD: AVG 0.118111 MAX 0.180256 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.699 MB LDB: TIME 12799.6 LOAD: AVG 0.118111 MAX 0.180256 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.699 MB LDB: ============== END OF LOAD BALANCING =============== 12799.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12799.6 PRESSURE: 4420400 -107.729 -7.95863 36.8871 -7.95789 -75.0461 -113.934 36.8877 -113.936 -309.795 GPRESSURE: 4420400 -132.975 20.0112 19.4197 -16.5834 -16.6583 -112.381 21.9262 -98.8588 -259.371 PRESSAVG: 4420400 4.13053 1.77086 -31.7473 1.7709 10.3353 -42.7063 -31.7475 -42.7064 20.6545 GPRESSAVG: 4420400 3.52307 -0.728695 -32.5585 6.55848 10.8626 -43.0142 -30.1214 -41.92 20.4409 TIMING: 4420400 CPU: 12796.5, 0.0029338/step Wall: 12796.5, 0.0029338/step, 0.472341 hours remaining, 211.636719 MB of memory in use. ENERGY: 4420400 753.0395 2131.8795 1947.3060 121.1601 -205658.0744 17367.5188 0.0000 0.0000 34146.5679 -149190.6024 298.2105 -183337.1704 -149092.9873 299.6806 -164.1899 -136.3348 557718.1733 11.7068 11.6089 PRESSURE: 4420600 -401.499 -22.3243 -18.6233 -22.3244 -230.97 30.559 -18.6234 30.5571 -304.84 GPRESSURE: 4420600 -424.323 -51.9322 -34.3261 104.661 -158.326 5.99759 9.12648 -35.5457 -253.248 PRESSAVG: 4420600 -70.0399 20.8601 -20.0056 20.8601 64.9074 -46.3522 -20.0056 -46.3522 -50.9301 GPRESSAVG: 4420600 -70.1308 21.6828 -19.1654 19.8153 65.1043 -47.1336 -19.9466 -47.0603 -51.3692 TIMING: 4420600 CPU: 12797, 0.00285925/step Wall: 12797, 0.00285925/step, 0.46018 hours remaining, 211.890625 MB of memory in use. ENERGY: 4420600 772.8769 2112.3197 1958.9606 114.8743 -205796.7170 17417.7830 0.0000 0.0000 34303.9260 -149115.9763 299.5847 -183419.9024 -149019.0661 299.2295 -312.4364 -278.6322 558303.4625 -18.6875 -18.7986 PRESSURE: 4420800 -85.3198 4.34131 -67.1777 4.34256 14.9402 -100.665 -67.1776 -100.665 20.1751 GPRESSURE: 4420800 -32.586 -29.3277 -26.4579 -91.8988 13.8552 -100.432 -96.8764 -90.1933 74.4507 PRESSAVG: 4420800 -63.6985 27.3837 12.4843 27.3838 32.9322 -2.18927 12.4843 -2.18924 -2.90913 GPRESSAVG: 4420800 -63.0714 26.2022 13.2452 25.9437 32.5992 -4.2106 11.5024 -0.0995782 -3.36861 TIMING: 4420800 CPU: 12797.6, 0.00288241/step Wall: 12797.6, 0.00288241/step, 0.463748 hours remaining, 211.890625 MB of memory in use. ENERGY: 4420800 776.1879 2107.2918 1927.9530 113.0784 -206414.1463 17954.3112 0.0000 0.0000 34357.7486 -149177.5753 300.0548 -183535.3239 -149081.7563 299.6477 -16.7348 18.5733 558017.0937 -11.2251 -11.2803 PRESSURE: 4421000 58.7444 -5.00242 39.8113 -5.00147 -201.794 -20.885 39.8109 -20.8853 36.6596 GPRESSURE: 4421000 114.59 8.56599 74.2208 49.5018 -141.903 -87.675 37.8997 -4.9238 19.018 PRESSAVG: 4421000 6.84569 10.3182 -6.24857 10.3182 0.954515 -37.8515 -6.24852 -37.8515 -15.7866 GPRESSAVG: 4421000 6.56743 10.0318 -5.66995 11.1555 1.53716 -34.3347 -5.67294 -39.2228 -16.1662 TIMING: 4421000 CPU: 12798.2, 0.0028811/step Wall: 12798.2, 0.0028811/step, 0.463377 hours remaining, 211.890625 MB of memory in use. ENERGY: 4421000 755.7598 2152.9602 1972.6639 132.9211 -206505.1551 17986.1733 0.0000 0.0000 34353.9398 -149150.7370 300.0215 -183504.6768 -149054.2379 299.7979 -35.4634 -2.7651 557036.8491 -2.6621 -2.6872 PRESSURE: 4421200 -392.076 158.576 193.955 158.576 -220.595 -94.4815 193.955 -94.4813 12.5538 GPRESSURE: 4421200 -354.818 110.67 178.023 210.305 -208.729 -83.4555 66.1762 -133.219 46.2579 PRESSAVG: 4421200 -52.1287 -46.167 25.238 -46.1671 -66.9331 -35.2352 25.2381 -35.2352 43.1096 GPRESSAVG: 4421200 -52.0591 -45.1822 23.6719 -47.53 -67.1424 -37.7291 26.0758 -34.8106 43.4958 TIMING: 4421200 CPU: 12798.8, 0.00288756/step Wall: 12798.8, 0.00288756/step, 0.464255 hours remaining, 211.890625 MB of memory in use. ENERGY: 4421200 719.6538 2137.5424 1923.6193 110.1851 -205849.4996 17350.5497 0.0000 0.0000 34371.1479 -149236.8014 300.1718 -183607.9494 -149141.5601 298.7795 -200.0390 -172.4299 558610.7915 -25.3174 -25.2352 PRESSURE: 4421400 -69.1634 162.7 -62.5478 162.701 49.0976 -79.2568 -62.5467 -79.2569 32.3595 GPRESSURE: 4421400 21.5906 152.549 91.6239 123.454 18.8222 -3.31798 -204.428 -137.833 72.596 PRESSAVG: 4421400 -31.667 5.66137 -30.4435 5.66147 -45.2629 36.0376 -30.4434 36.0377 54.2554 GPRESSAVG: 4421400 -31.5629 6.17904 -28.5339 7.64071 -45.2082 38.1068 -31.9352 34.3844 54.0746 TIMING: 4421400 CPU: 12799.4, 0.00288674/step Wall: 12799.4, 0.00288674/step, 0.463964 hours remaining, 211.890625 MB of memory in use. ENERGY: 4421400 723.4980 2107.0709 1934.7378 111.2848 -206055.0283 17834.7249 0.0000 0.0000 34120.8364 -149222.8755 297.9858 -183343.7118 -149133.9759 298.7207 4.0979 37.6696 557553.1927 -7.5582 -7.5655 PRESSURE: 4421600 -36.1897 -97.9328 134.829 -97.9325 -82.2481 49.0551 134.831 49.0543 -12.6545 GPRESSURE: 4421600 -2.28388 -82.81 147.432 -88.3862 -29.4262 200.712 141.143 -15.0779 0.205082 PRESSAVG: 4421600 20.9271 -31.3549 23.5878 -31.355 -42.4086 11.0823 23.5879 11.0824 58.8815 GPRESSAVG: 4421600 21.137 -31.4927 20.795 -32.0415 -43.0488 9.82921 25.0036 10.4586 58.932 TIMING: 4421600 CPU: 12799.9, 0.00289697/step Wall: 12799.9, 0.00289697/step, 0.465447 hours remaining, 211.890625 MB of memory in use. ENERGY: 4421600 746.3580 2094.0395 1912.7009 118.2056 -206258.5853 17862.8763 0.0000 0.0000 34271.5478 -149252.8572 299.3020 -183524.4050 -149158.3500 299.1855 -43.6974 -10.5017 556959.4459 12.4667 12.3401 PRESSURE: 4421800 121.845 -70.392 -76.1924 -70.3908 226.996 15.1017 -76.1922 15.0996 37.0163 GPRESSURE: 4421800 190.262 -49.8631 -127.5 -50.0756 241.997 -62.0024 -44.4022 33.1407 63.4915 PRESSAVG: 4421800 68.365 -33.5599 2.85772 -33.5599 5.94825 -32.6495 2.85776 -32.6495 -62.477 GPRESSAVG: 4421800 68.4339 -33.4604 3.86952 -32.3908 6.27781 -32.3482 1.89592 -32.5057 -62.2053 TIMING: 4421800 CPU: 12800.5, 0.00289501/step Wall: 12800.5, 0.00289501/step, 0.46497 hours remaining, 211.890625 MB of memory in use. ENERGY: 4421800 779.1946 2134.2705 1917.4477 112.2429 -206287.3168 17883.1892 0.0000 0.0000 34189.2081 -149271.7637 298.5829 -183460.9718 -149178.3398 299.1870 128.6194 165.2502 556990.4629 3.9454 4.1688 PRESSURE: 4422000 26.9519 113.873 -230.94 113.872 71.4226 -3.61166 -230.941 -3.6115 -8.17388 GPRESSURE: 4422000 96.4613 164.284 -229.819 57.2221 114.851 98.5288 -128.736 -7.37602 -25.6532 PRESSAVG: 4422000 12.8059 -12.9806 -0.769451 -12.9806 -14.3463 -22.4282 -0.769436 -22.4283 -10.2242 GPRESSAVG: 4422000 12.8931 -12.2089 -1.25124 -15.1577 -15.1988 -23.008 -1.23486 -21.1274 -8.73764 TIMING: 4422000 CPU: 12801.1, 0.00288076/step Wall: 12801.1, 0.00288076/step, 0.462523 hours remaining, 211.890625 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: 4422000 742.4332 2128.6170 1913.8989 99.0281 -206516.5866 17958.1711 0.0000 0.0000 34415.1177 -149259.3206 300.5558 -183674.4383 -149162.2747 299.4219 30.0669 61.8864 557812.1030 -3.9215 -3.6811 PRESSURE: 4422200 -96.1247 67.8121 50.1717 67.8111 -156.942 142.63 50.1726 142.632 225.321 GPRESSURE: 4422200 -70.5631 33.4381 54.9168 171.941 -94.4644 232.148 32.7186 128.493 221.222 PRESSAVG: 4422200 -57.2997 12.5874 2.07893 12.5874 11.4608 2.41905 2.07892 2.41907 40.3735 GPRESSAVG: 4422200 -56.5637 10.6555 3.76686 14.2867 12.0132 4.41843 2.16569 2.82455 39.1801 TIMING: 4422200 CPU: 12801.7, 0.00287642/step Wall: 12801.7, 0.00287642/step, 0.461666 hours remaining, 211.890625 MB of memory in use. ENERGY: 4422200 772.0406 2059.9016 1958.9156 120.8789 -206158.2917 17803.4298 0.0000 0.0000 34397.0394 -149046.0858 300.3979 -183443.1252 -148951.1552 299.0585 -9.2486 18.7317 557728.1531 -1.8218 -1.7902 PRESSURE: 4422400 -19.7769 99.7762 93.9106 99.7773 8.89135 -131.274 93.911 -131.273 85.9741 GPRESSURE: 4422400 44.6409 102.524 21.5389 125.887 28.0398 -142.554 116.959 -79.5913 103.914 PRESSAVG: 4422400 30.4259 11.4233 -5.45219 11.4233 17.0877 -1.46487 -5.45228 -1.46489 -19.8307 GPRESSAVG: 4422400 30.369 13.7112 -6.336 10.2532 17.6548 -4.46721 -3.46962 -1.44031 -20.2113 TIMING: 4422400 CPU: 12802.2, 0.00289743/step Wall: 12802.2, 0.00289743/step, 0.464876 hours remaining, 211.890625 MB of memory in use. ENERGY: 4422400 778.6381 2062.9365 1921.2774 113.6976 -206218.0451 17854.9955 0.0000 0.0000 34327.3605 -149159.1396 299.7894 -183486.5000 -149062.0415 299.1907 25.0295 58.8649 558216.3917 9.2276 9.2708 PRESSURE: 4422600 -154.447 123.21 -67.205 123.21 -278.578 -11.3909 -67.2058 -11.3912 121.167 GPRESSURE: 4422600 -157.109 110.072 -58.5271 127.616 -212.464 36.832 -21.2558 -37.2511 159.461 PRESSAVG: 4422600 18.9556 8.38567 23.7122 8.38566 16.2361 -18.7583 23.7122 -18.7583 -49.6835 GPRESSAVG: 4422600 18.0953 8.02507 23.3957 8.27789 16.2461 -17.6835 21.2928 -19.6465 -48.6844 TIMING: 4422600 CPU: 12802.8, 0.00289085/step Wall: 12802.8, 0.00289085/step, 0.463661 hours remaining, 211.890625 MB of memory in use. ENERGY: 4422600 742.2875 2044.5944 1953.0725 113.0937 -205882.9254 17703.7152 0.0000 0.0000 34107.6524 -149218.5098 297.8706 -183326.1622 -149122.4643 298.6203 -103.9528 -70.0372 559702.7907 -4.8306 -4.7810 PRESSURE: 4422800 75.5892 93.117 -41.9886 93.1162 256.519 166.098 -41.9891 166.098 179.473 GPRESSURE: 4422800 197.252 171.032 -52.973 7.79847 288.95 227.279 -48.8715 161.68 122.988 PRESSAVG: 4422800 -13.1931 -30.3132 -37.9122 -30.3132 -37.107 24.073 -37.9121 24.0729 75.0318 GPRESSAVG: 4422800 -13.4858 -32.4148 -36.6916 -30.1955 -36.5586 25.0465 -36.6544 24.0439 74.8879 TIMING: 4422800 CPU: 12803.4, 0.00288831/step Wall: 12803.4, 0.00288831/step, 0.463092 hours remaining, 211.890625 MB of memory in use. ENERGY: 4422800 681.4796 2105.3627 1946.4027 123.7590 -206352.6668 18026.7297 0.0000 0.0000 34380.7760 -149088.1571 300.2559 -183468.9331 -148983.1387 299.2033 170.5273 203.0633 557242.7630 8.2439 8.2812 PRESSURE: 4423000 -70.6138 133.041 140.163 133.041 20.8693 47.5059 140.164 47.5062 30.9999 GPRESSURE: 4423000 -21.1415 54.8729 150.35 143.57 34.6466 -13.2442 61.0928 -2.79216 61.8366 PRESSAVG: 4423000 -13.5589 -1.1611 40.016 -1.1611 -23.7582 18.9755 40.016 18.9755 41.265 GPRESSAVG: 4423000 -12.8906 -0.212054 41.921 -0.327465 -25.9109 19.6278 38.2493 18.2228 42.8991 TIMING: 4423000 CPU: 12804, 0.0028958/step Wall: 12804, 0.0028958/step, 0.464132 hours remaining, 211.890625 MB of memory in use. ENERGY: 4423000 753.6736 2086.2281 1963.3154 101.5570 -206172.2468 17884.8197 0.0000 0.0000 34375.1368 -149007.5163 300.2066 -183382.6530 -148915.1175 300.0660 -6.2482 25.1139 558489.8046 1.3160 1.3659 PRESSURE: 4423200 54.4219 -23.3528 138.016 -23.3521 -58.7517 103.84 138.015 103.839 11.8486 GPRESSURE: 4423200 127.601 88.4505 81.5127 -86.1394 -3.95778 93.2227 199.075 140.872 -32.6567 PRESSAVG: 4423200 37.7314 -9.14068 65.246 -9.14059 -69.6978 50.7858 65.2462 50.7859 19.8639 GPRESSAVG: 4423200 38.1268 -8.47539 63.3991 -12.1651 -67.4846 48.7979 67.3132 52.9958 17.9398 TIMING: 4423200 CPU: 12804.6, 0.00288698/step Wall: 12804.6, 0.00288698/step, 0.462559 hours remaining, 211.890625 MB of memory in use. ENERGY: 4423200 768.2833 2095.9609 1940.8784 118.4368 -206231.8486 17938.3694 0.0000 0.0000 34493.9109 -148876.0089 301.2439 -183369.9197 -148781.1456 300.1206 2.5063 30.3288 559210.3893 -4.0342 -3.8060 PRESSURE: 4423400 327.68 15.8931 74.5633 15.8939 97.9465 146.27 74.562 146.269 -32.9878 GPRESSURE: 4423400 335.969 -50.5332 51.4675 132.091 184.277 130.194 89.6744 167.697 -24.9695 PRESSAVG: 4423400 44.4692 -4.99868 20.7474 -4.99866 -30.9517 15.5339 20.7474 15.5341 -49.0779 GPRESSAVG: 4423400 43.2681 -5.28079 20.971 -1.63236 -31.4276 16.5344 19.5744 13.8613 -47.976 TIMING: 4423400 CPU: 12805.1, 0.0028747/step Wall: 12805.1, 0.0028747/step, 0.460432 hours remaining, 211.890625 MB of memory in use. ENERGY: 4423400 772.4160 2139.2195 1944.4292 125.0083 -206596.5195 18215.0136 0.0000 0.0000 34550.1063 -148850.3265 301.7347 -183400.4328 -148748.4613 300.6996 130.8797 165.0922 557981.0964 -11.8535 -12.0452 PRESSURE: 4423600 -267.965 -6.01413 -78.8208 -6.01425 -312.728 -148.532 -78.8214 -148.532 -167.718 GPRESSURE: 4423600 -226.236 33.1084 -84.4162 -24.3938 -304.271 -161.201 -32.772 -178.506 -113.195 PRESSAVG: 4423600 57.1623 12.3487 -25.4978 12.3489 2.55213 -5.57492 -25.4977 -5.5749 -15.8813 GPRESSAVG: 4423600 58.2629 10.4542 -26.9449 12.0063 1.69113 -3.12946 -23.7464 -5.475 -16.0668 TIMING: 4423600 CPU: 12805.7, 0.00288049/step Wall: 12805.7, 0.00288049/step, 0.461199 hours remaining, 211.890625 MB of memory in use. ENERGY: 4423600 739.9723 2075.4965 1963.1926 110.5599 -205637.9706 17502.1810 0.0000 0.0000 34236.0240 -149010.5442 298.9917 -183246.5682 -148914.7487 300.2954 -249.4703 -214.5673 560187.6923 14.6110 14.6291 PRESSURE: 4423800 70.1875 109.875 -86.5568 109.875 87.9179 -34.9925 -86.5574 -34.992 246.022 GPRESSURE: 4423800 100.974 63.4657 -155.017 154.322 163.605 -60.0345 -78.836 35.928 234.92 PRESSAVG: 4423800 -5.21775 44.6065 -25.3362 44.6065 -35.4433 11.0186 -25.3362 11.0186 49.3024 GPRESSAVG: 4423800 -5.00367 45.1476 -23.9845 44.8294 -35.5707 6.67016 -25.2493 14.0891 49.3436 TIMING: 4423800 CPU: 12806.3, 0.00286109/step Wall: 12806.3, 0.00286109/step, 0.457934 hours remaining, 211.890625 MB of memory in use. ENERGY: 4423800 740.3613 2102.2693 1951.7433 117.5925 -206407.4734 18067.0253 0.0000 0.0000 34408.4276 -149020.0541 300.4974 -183428.4817 -148929.1950 300.0871 134.7091 166.4997 556176.5005 2.8805 2.9231 PRESSURE: 4424000 -42.4039 -29.1837 -104.921 -29.1852 -203.148 6.92725 -104.921 6.92797 96.0986 GPRESSURE: 4424000 -30.5456 28.4282 -38.3852 -49.7209 -140.244 -36.2787 -70.5721 27.8359 126.029 PRESSAVG: 4424000 15.7844 26.2498 -22.2902 26.2498 -10.3414 50.2255 -22.2903 50.2255 -2.64626 GPRESSAVG: 4424000 14.5767 28.3318 -21.8344 23.8606 -9.4849 51.531 -21.988 47.9934 -2.55321 TIMING: 4424000 CPU: 12806.9, 0.00287586/step Wall: 12806.9, 0.00287586/step, 0.460137 hours remaining, 211.890625 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: 4424000 744.8251 2047.9289 1955.7179 123.4938 -206061.7692 17625.0349 0.0000 0.0000 34641.2342 -148923.5344 302.5305 -183564.7686 -148824.0028 300.9451 -49.8179 -14.9202 557002.8938 0.9322 0.8462 PRESSURE: 4424200 -275.522 -74.6611 -107.286 -74.6599 -461.713 -52.5227 -107.286 -52.5225 -148.403 GPRESSURE: 4424200 -215.771 -48.9788 -159.889 -74.66 -416.563 -61.5578 -59.6826 -64.6427 -157.26 PRESSAVG: 4424200 44.5719 24.5809 -37.3172 24.5808 -19.9934 -1.12881 -37.3172 -1.1289 -26.447 GPRESSAVG: 4424200 44.6052 23.5962 -37.7216 27.722 -19.5645 2.71499 -38.7096 -4.54639 -26.8753 TIMING: 4424200 CPU: 12807.4, 0.00288142/step Wall: 12807.4, 0.00288142/step, 0.460868 hours remaining, 211.890625 MB of memory in use. ENERGY: 4424200 771.1292 2108.1446 1936.1009 109.7182 -205486.5726 17209.7072 0.0000 0.0000 34410.4763 -148941.2961 300.5152 -183351.7724 -148848.3432 300.9186 -295.2125 -263.1980 557054.5491 -0.6228 -0.6116 LDB: ============= START OF LOAD BALANCING ============== 12810.8 LDB: ============== END OF LOAD BALANCING =============== 12810.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12810.8 LDB: ============= START OF LOAD BALANCING ============== 12811.1 LDB: Largest compute 4773 load 0.024571 is 20.8% of average load 0.118063 LDB: Average compute 0.001734 is 1.5% of average load 0.118063 LDB: TIME 12811.1 LOAD: AVG 0.118063 MAX 0.179608 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.316 MB LDB: TIME 12811.1 LOAD: AVG 0.118063 MAX 0.179608 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.316 MB LDB: TIME 12811.1 LOAD: AVG 0.118063 MAX 0.179608 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12811.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12811.1 PRESSURE: 4424400 -387.765 -33.0853 -69.731 -33.0851 -78.598 -103.921 -69.7306 -103.92 -196.626 GPRESSURE: 4424400 -366.851 -44.3005 3.0718 -96.451 -85.5161 -129.841 -65.7679 -188.69 -114.634 PRESSAVG: 4424400 -79.151 36.3597 43.0181 36.3596 53.5001 12.2049 43.0182 12.2049 58.3608 GPRESSAVG: 4424400 -77.4648 34.6463 45.4548 34.5003 52.6884 8.42533 44.3445 14.549 58.2644 TIMING: 4424400 CPU: 12808, 0.0029551/step Wall: 12808, 0.0029551/step, 0.472488 hours remaining, 210.542969 MB of memory in use. ENERGY: 4424400 770.9905 2083.4204 1941.5196 128.4864 -205728.5856 17535.7258 0.0000 0.0000 34375.8579 -148892.5851 300.2129 -183268.4430 -148786.2305 300.5510 -220.9966 -189.0005 558111.2903 10.9033 11.1627 PRESSURE: 4424600 -34.1001 69.1272 -108.141 69.1269 -270.448 80.4334 -108.14 80.4341 129.008 GPRESSURE: 4424600 -12.3342 63.7097 -90.8296 55.4802 -243.052 115.519 -138.149 10.9089 184.885 PRESSAVG: 4424600 26.0377 8.75441 -9.31291 8.75451 -22.7579 -49.5552 -9.31305 -49.5553 0.835821 GPRESSAVG: 4424600 24.4298 10.6931 -9.79088 8.49383 -22.0685 -48.1112 -10.6018 -50.2191 1.53559 TIMING: 4424600 CPU: 12808.6, 0.00290684/step Wall: 12808.6, 0.00290684/step, 0.464609 hours remaining, 210.542969 MB of memory in use. ENERGY: 4424600 744.0728 2113.1512 1957.6942 110.3842 -205869.6600 17550.0343 0.0000 0.0000 34484.7542 -148909.5689 301.1639 -183394.3232 -148815.5193 300.0047 -58.5132 -23.5005 556833.6545 1.3719 1.2989 PRESSURE: 4424800 -124.305 42.5609 72.8617 42.5609 -229.875 -8.77543 72.8614 -8.77547 -85.8633 GPRESSURE: 4424800 -81.9529 -1.499 165.55 -36.6782 -228.346 -9.03974 12.4896 21.9468 -45.4064 PRESSAVG: 4424800 -65.7392 -12.5033 1.5606 -12.5033 -31.5724 3.53014 1.56059 3.5301 72.6522 GPRESSAVG: 4424800 -66.242 -14.1068 -1.00079 -12.5088 -31.2235 2.26058 2.20619 4.75399 72.6669 TIMING: 4424800 CPU: 12809.2, 0.0029065/step Wall: 12809.2, 0.0029065/step, 0.464394 hours remaining, 210.542969 MB of memory in use. ENERGY: 4424800 770.1562 2079.8094 1945.7270 113.0699 -205561.5835 17472.1658 0.0000 0.0000 34317.2075 -148863.4478 299.7007 -183180.6552 -148772.8571 300.1516 -146.6812 -118.5684 557375.1611 -8.2198 -8.2662 PRESSURE: 4425000 -230.118 5.38125 -38.6603 5.38058 36.7812 -193.362 -38.6602 -193.363 -84.845 GPRESSURE: 4425000 -186.127 21.3674 11.4103 -18.2118 102.893 -232.543 -113.709 -195.227 -94.0789 PRESSAVG: 4425000 -32.4524 42.4526 30.7119 42.4526 0.697878 -19.9769 30.7119 -19.9768 -22.2591 GPRESSAVG: 4425000 -32.335 42.1493 32.627 43.6929 1.02122 -18.2109 31.0654 -19.3665 -22.7003 TIMING: 4425000 CPU: 12809.8, 0.00288179/step Wall: 12809.8, 0.00288179/step, 0.460285 hours remaining, 210.542969 MB of memory in use. ENERGY: 4425000 730.6483 2115.5564 1938.1975 117.1882 -205570.7333 17385.4385 0.0000 0.0000 34321.9657 -148961.7389 299.7423 -183283.7045 -148860.7110 300.4352 -92.7274 -59.1044 557359.0502 -18.0045 -18.0047 PRESSURE: 4425200 -129.943 -11.9845 47.2697 -11.9827 -63.7015 18.6014 47.2705 18.6043 -164.348 GPRESSURE: 4425200 -38.1819 13.6081 91.5607 55.1838 -59.94 60.6888 11.0694 17.1432 -164.543 PRESSAVG: 4425200 -68.5911 21.9387 -59.2941 21.9388 28.0713 4.77003 -59.2943 4.77002 4.61435 GPRESSAVG: 4425200 -67.8973 24.3187 -59.9376 20.2933 27.181 2.53516 -59.6656 6.40784 4.76704 TIMING: 4425200 CPU: 12810.3, 0.00287562/step Wall: 12810.3, 0.00287562/step, 0.459141 hours remaining, 210.542969 MB of memory in use. ENERGY: 4425200 730.1224 2071.0720 1964.5944 118.2057 -205824.8498 17717.3502 0.0000 0.0000 34534.8589 -148688.6463 301.6015 -183223.5051 -148586.6315 300.8703 -119.3310 -87.5549 557371.3421 -11.9685 -11.9831 PRESSURE: 4425400 70.7233 -142.803 -305.849 -142.803 26.6172 -18.6295 -305.848 -18.6288 82.8612 GPRESSURE: 4425400 81.3806 -66.1121 -311.622 -131.57 44.1549 -90.9028 -239.971 -35.1709 144.041 PRESSAVG: 4425400 66.9228 -45.3219 -64.8434 -45.3219 -25.3761 -55.1888 -64.8433 -55.1888 -64.1413 GPRESSAVG: 4425400 66.9416 -44.8575 -65.5529 -45.6644 -24.8022 -54.3489 -63.9975 -57.2536 -64.2751 TIMING: 4425400 CPU: 12810.9, 0.00288206/step Wall: 12810.9, 0.00288206/step, 0.460009 hours remaining, 210.542969 MB of memory in use. ENERGY: 4425400 750.1932 2096.5701 1932.0925 118.7463 -205617.2425 17674.2855 0.0000 0.0000 34564.3674 -148480.9874 301.8592 -183045.3548 -148386.2373 301.2863 60.0672 89.8587 557517.5610 -7.5315 -7.3786 PRESSURE: 4425600 235.1 -231.589 -60.0112 -231.588 402.28 21.4024 -60.0124 21.4056 299.434 GPRESSURE: 4425600 248.8 -216.535 -86.2408 -230.497 406.092 -37.943 -65.1436 22.0607 377.36 PRESSAVG: 4425600 6.27147 -19.0623 -12.0715 -19.0623 -3.54036 25.353 -12.0714 25.3531 9.36435 GPRESSAVG: 4425600 7.09192 -19.8967 -12.5505 -18.6331 -4.51513 26.8259 -10.1384 25.4381 10.0778 TIMING: 4425600 CPU: 12811.5, 0.00286501/step Wall: 12811.5, 0.00286501/step, 0.457128 hours remaining, 210.542969 MB of memory in use. ENERGY: 4425600 713.2575 2135.2426 1937.1521 119.2854 -205979.7539 18187.6321 0.0000 0.0000 34317.3042 -148569.8800 299.7016 -182887.1841 -148485.1392 301.4742 312.2713 344.0837 558472.3000 4.0318 4.2182 PRESSURE: 4425800 -34.8288 150.414 -190.829 150.413 17.3443 -81.9228 -190.828 -81.9245 -26.8082 GPRESSURE: 4425800 34.0984 221.296 -69.0483 86.4239 42.6347 -40.81 -238.987 -112.317 -31.8668 PRESSAVG: 4425800 30.7517 -20.1042 -2.87179 -20.1042 -24.8361 24.4669 -2.87173 24.467 -16.3757 GPRESSAVG: 4425800 31.0516 -18.4889 -2.35416 -20.549 -25.2954 24.2989 -3.84782 24.1613 -15.9023 TIMING: 4425800 CPU: 12812.1, 0.00287119/step Wall: 12812.1, 0.00287119/step, 0.457955 hours remaining, 210.542969 MB of memory in use. ENERGY: 4425800 713.5762 2088.4600 1962.3016 122.9703 -205919.0656 17826.1537 0.0000 0.0000 34498.2298 -148707.3740 301.2816 -183205.6038 -148612.1011 301.1888 -14.7642 14.9554 559350.9243 -3.4867 -3.3821 PRESSURE: 4426000 165.158 26.7335 -71.0279 26.7337 -148.714 -33.3951 -71.0275 -33.3954 -40.5866 GPRESSURE: 4426000 137.953 23.8292 -39.7976 92.4946 -59.3995 -71.3909 -103.039 4.92071 0.310044 PRESSAVG: 4426000 12.726 13.2488 13.8453 13.2488 -30.3692 57.2875 13.8453 57.2875 19.3085 GPRESSAVG: 4426000 11.8391 13.6745 12.3994 12.673 -29.9031 55.5219 14.3932 59.1562 19.4515 TIMING: 4426000 CPU: 12812.6, 0.00284213/step Wall: 12812.6, 0.00284213/step, 0.453161 hours remaining, 210.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4426000 772.9665 2169.3317 1937.6517 110.4772 -205892.2516 17764.3524 0.0000 0.0000 34394.3233 -148743.1489 300.3742 -183137.4722 -148650.6994 301.1301 -8.0475 26.2877 557017.9291 0.5551 0.4625 PRESSURE: 4426200 -184.646 141.043 47.5326 141.042 -417.923 -10.9351 47.5327 -10.9351 -197.302 GPRESSURE: 4426200 -141.883 122.859 -10.0015 221.527 -380.058 73.9973 25.7006 -21.3844 -182.077 PRESSAVG: 4426200 -60.9856 9.38815 -53.9723 9.38809 37.6007 -23.2442 -53.9722 -23.2443 56.1824 GPRESSAVG: 4426200 -61.1625 6.70828 -52.953 11.3391 39.0594 -22.7059 -54.3939 -23.4914 54.8861 TIMING: 4426200 CPU: 12813.2, 0.00285878/step Wall: 12813.2, 0.00285878/step, 0.455657 hours remaining, 210.542969 MB of memory in use. ENERGY: 4426200 760.9742 2091.0441 1991.4029 116.8967 -205269.6311 17215.8837 0.0000 0.0000 34240.5678 -148852.8617 299.0314 -183093.4296 -148757.6361 300.9639 -266.6237 -234.6726 558040.4608 10.9325 10.9276 PRESSURE: 4426400 102.798 -27.2862 4.54424 -27.2858 270.943 -22.643 4.54353 -22.642 229.284 GPRESSURE: 4426400 133.823 16.5296 56.9012 56.7107 299.568 3.09815 -20.8755 -40.1593 265.21 PRESSAVG: 4426400 1.47154 36.1771 -66.7528 36.1772 41.3015 -43.2331 -66.7528 -43.2333 -33.2761 GPRESSAVG: 4426400 1.85308 36.7033 -65.7768 34.3615 40.2418 -44.0489 -67.5037 -44.0626 -33.0225 TIMING: 4426400 CPU: 12813.8, 0.00286211/step Wall: 12813.8, 0.00286211/step, 0.456029 hours remaining, 210.542969 MB of memory in use. ENERGY: 4426400 712.4066 2151.6365 1915.9700 107.7137 -205933.2044 17886.7602 0.0000 0.0000 34373.4875 -148785.2300 300.1922 -183158.7174 -148684.9842 300.2472 201.0086 232.8667 557520.3370 3.1656 3.0241 PRESSURE: 4426600 160.626 99.4656 -88.487 99.4657 -182.267 53.4316 -88.4871 53.4305 -165.211 GPRESSURE: 4426600 192.844 83.184 7.14184 114.919 -126.166 1.53777 -144.486 51.1608 -170.61 PRESSAVG: 4426600 49.8613 29.9637 -40.818 29.9637 -2.68017 -3.74357 -40.8179 -3.74349 13.8659 GPRESSAVG: 4426600 49.8832 30.8538 -41.8216 30.4254 -2.24853 -3.10979 -41.004 -4.9829 13.327 TIMING: 4426600 CPU: 12814.4, 0.00291264/step Wall: 12814.4, 0.00291264/step, 0.463919 hours remaining, 210.542969 MB of memory in use. ENERGY: 4426600 721.4548 2112.6400 1937.7466 112.6933 -205530.0199 17429.8332 0.0000 0.0000 34327.1233 -148888.5289 299.7873 -183215.6521 -148781.3254 300.1907 -62.2838 -34.6439 557325.2756 20.3490 20.3206 PRESSURE: 4426800 4.0788 77.0007 7.1985 77.0001 -125.835 -20.5729 7.19908 -20.5738 -113.664 GPRESSURE: 4426800 23.0193 -43.4872 98.6238 116.881 -65.936 8.51051 -70.0673 -24.9996 -88.8969 PRESSAVG: 4426800 36.2822 14.5378 -53.7701 14.5378 42.0017 32.5949 -53.7702 32.595 -57.4499 GPRESSAVG: 4426800 35.3452 12.1076 -53.637 14.3098 41.949 33.5057 -54.7074 33.3197 -56.6466 TIMING: 4426800 CPU: 12814.9, 0.00288739/step Wall: 12814.9, 0.00288739/step, 0.459736 hours remaining, 210.542969 MB of memory in use. ENERGY: 4426800 786.4907 2089.5193 1964.7303 111.3006 -205768.6854 17592.5848 0.0000 0.0000 34474.7681 -148749.2917 301.0767 -183224.0597 -148658.6772 300.5829 -78.4732 -43.9379 556914.3451 6.9447 6.8825 PRESSURE: 4427000 -198.639 -191.488 86.426 -191.488 38.1224 60.4153 86.4266 60.4157 212.323 GPRESSURE: 4427000 -174.041 -229.884 187.175 -174.604 124.213 100.648 46.7528 40.3427 202.4 PRESSAVG: 4427000 28.4591 -89.4865 57.7096 -89.4865 -10.4563 -9.36367 57.7096 -9.36369 -27.0646 GPRESSAVG: 4427000 29.383 -89.1681 58.774 -89.5314 -10.3947 -8.47435 57.767 -7.59761 -27.9935 TIMING: 4427000 CPU: 12815.5, 0.00286608/step Wall: 12815.5, 0.00286608/step, 0.456185 hours remaining, 210.542969 MB of memory in use. ENERGY: 4427000 743.6778 2092.1925 1932.9245 123.3410 -205946.9767 17827.3849 0.0000 0.0000 34483.0285 -148744.4275 301.1489 -183227.4560 -148642.6443 301.4120 17.2686 50.8571 557700.8174 -3.0206 -3.0017 PRESSURE: 4427200 128.763 -18.2863 52.5927 -18.2864 -150.51 -143.659 52.594 -143.659 46.498 GPRESSURE: 4427200 159.047 -5.94005 -28.5514 -36.4597 -125.192 -79.7326 47.4088 -165.968 77.5121 PRESSAVG: 4427200 42.8502 38.3742 27.1046 38.3742 -31.5205 12.2198 27.1045 12.2197 -36.8542 GPRESSAVG: 4427200 42.9104 40.3553 25.6703 39.5965 -30.7177 11.6223 29.1996 12.2348 -37.5188 TIMING: 4427200 CPU: 12816.1, 0.00288702/step Wall: 12816.1, 0.00288702/step, 0.459357 hours remaining, 210.542969 MB of memory in use. ENERGY: 4427200 738.8607 2094.0823 1961.7767 102.0651 -205829.8152 17696.7631 0.0000 0.0000 34478.8741 -148757.3931 301.1126 -183236.2672 -148664.5253 300.6064 8.2505 37.1221 557143.6910 -8.5082 -8.4421 PRESSURE: 4427400 -110.356 40.6802 -127.554 40.6816 3.44498 -138.767 -127.553 -138.767 142.981 GPRESSURE: 4427400 -83.7874 11.0883 -153.48 51.9674 24.2019 -151.261 -31.289 -156.34 184.361 PRESSAVG: 4427400 -10.9133 -22.6874 -23.2336 -22.6873 -11.0689 -37.9686 -23.2336 -37.9685 26.7147 GPRESSAVG: 4427400 -10.7606 -22.2631 -23.5712 -23.0958 -12.652 -40.1587 -23.7118 -38.3585 27.2798 TIMING: 4427400 CPU: 12816.7, 0.00289847/step Wall: 12816.7, 0.00289847/step, 0.461017 hours remaining, 210.542969 MB of memory in use. ENERGY: 4427400 775.4047 2040.6152 1938.2918 107.9536 -206000.8791 17768.5961 0.0000 0.0000 34327.1973 -149042.8203 299.7880 -183370.0177 -148944.1911 300.0816 12.0233 41.5917 557650.5195 1.5775 1.2891 PRESSURE: 4427600 -38.5067 -67.5568 -67.8479 -67.5565 285.217 -13.6205 -67.8469 -13.6194 149.605 GPRESSURE: 4427600 6.25391 -80.7376 -69.0593 -41.4354 326.537 -36.1528 -14.5425 7.9812 156.139 PRESSAVG: 4427600 -15.2641 -1.41688 24.4042 -1.41695 35.5133 -21.8535 24.4042 -21.8536 26.8483 GPRESSAVG: 4427600 -16.3587 -1.73511 25.2301 -3.27875 36.6892 -22.2 22.4863 -20.5046 26.4817 TIMING: 4427600 CPU: 12817.2, 0.0028922/step Wall: 12817.2, 0.0028922/step, 0.45986 hours remaining, 210.542969 MB of memory in use. ENERGY: 4427600 753.3791 2101.9700 1964.5688 109.7718 -205863.1863 17916.8175 0.0000 0.0000 34133.1758 -148883.5033 298.0935 -183016.6791 -148792.1071 299.8194 132.1048 162.9764 558113.1005 15.6992 15.6041 PRESSURE: 4427800 -180.336 -31.0036 104.263 -31.0041 7.66277 98.9697 104.263 98.9701 -182.622 GPRESSURE: 4427800 -155.993 -36.7651 103.804 -72.9738 -12.0989 94.6626 77.2507 -7.04951 -96.0643 PRESSAVG: 4427800 -59.8077 -42.3586 -17.2851 -42.3585 95.869 -4.09059 -17.2852 -4.09075 -53.4817 GPRESSAVG: 4427800 -59.6177 -42.8272 -16.4549 -40.2154 95.7325 -3.49233 -16.3997 -4.69372 -53.2574 TIMING: 4427800 CPU: 12817.8, 0.00286292/step Wall: 12817.8, 0.00286292/step, 0.455046 hours remaining, 210.542969 MB of memory in use. ENERGY: 4427800 755.5405 2101.7845 1928.4554 126.1938 -205998.4964 17720.2174 0.0000 0.0000 34349.6199 -149016.6849 299.9838 -183366.3047 -148914.9826 299.5626 -118.4316 -88.0519 558440.8175 -5.8068 -5.7142 PRESSURE: 4428000 -219.454 -183.676 -21.3047 -183.676 153.835 -11.926 -21.3051 -11.9252 -29.7005 GPRESSURE: 4428000 -170.646 -166.367 29.6321 -175.958 170.426 -21.2418 -110.776 55.3939 -0.892766 PRESSAVG: 4428000 -4.49568 -28.6753 18.3773 -28.6753 59.9452 -2.28583 18.3773 -2.28584 -51.4937 GPRESSAVG: 4428000 -3.67832 -28.2896 17.4201 -29.7381 58.7054 -1.13092 18.2299 -4.07438 -51.3387 TIMING: 4428000 CPU: 12818.4, 0.0029053/step Wall: 12818.4, 0.0029053/step, 0.46162 hours remaining, 210.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4428000 728.4479 2096.1694 1987.2636 120.5754 -206148.5060 17889.8679 0.0000 0.0000 34158.1040 -149168.0778 298.3112 -183326.1818 -149071.2292 299.4414 -31.7733 -0.3712 558002.6727 1.3186 1.2295 PRESSURE: 4428200 -133.603 28.5262 -126.229 28.5262 42.4038 73.3186 -126.23 73.3169 144.051 GPRESSURE: 4428200 -77.4692 6.59833 -144.626 89.4615 86.2865 136.806 -38.4512 26.809 138.305 PRESSAVG: 4428200 -108.103 2.09889 -49.6357 2.09892 59.421 32.8166 -49.6356 32.8166 81.6095 GPRESSAVG: 4428200 -108.872 2.58939 -51.0636 2.50208 59.2426 34.2187 -47.8371 34.7178 82.3256 TIMING: 4428200 CPU: 12819, 0.00291066/step Wall: 12819, 0.00291066/step, 0.46231 hours remaining, 210.542969 MB of memory in use. ENERGY: 4428200 770.4555 2131.7978 1943.4409 115.0903 -206303.6221 17844.1277 0.0000 0.0000 34221.0883 -149277.6215 298.8613 -183498.7099 -149177.2884 299.4777 17.6173 49.0406 557572.6606 10.9759 10.8986 LDB: ============= START OF LOAD BALANCING ============== 12822.4 LDB: ============== END OF LOAD BALANCING =============== 12822.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12822.4 LDB: ============= START OF LOAD BALANCING ============== 12822.7 LDB: Largest compute 4772 load 0.023528 is 19.9% of average load 0.118081 LDB: Average compute 0.001729 is 1.5% of average load 0.118081 LDB: TIME 12822.7 LOAD: AVG 0.118081 MAX 0.180406 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.367 MB LDB: TIME 12822.7 LOAD: AVG 0.118081 MAX 0.180406 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.566 MB LDB: TIME 12822.7 LOAD: AVG 0.118081 MAX 0.180406 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12822.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12822.7 PRESSURE: 4428400 -155.809 -58.9212 -42.4653 -58.9205 -97.5966 -64.3566 -42.4653 -64.357 58.3946 GPRESSURE: 4428400 -157.009 -90.3254 1.66164 -60.536 3.03953 5.34829 -34.9209 -67.3291 59.6317 PRESSAVG: 4428400 -44.4771 -2.22979 -18.367 -2.22971 27.7419 -8.32458 -18.367 -8.32458 45.7644 GPRESSAVG: 4428400 -45.4656 -1.76997 -17.0093 -3.41764 28.6273 -8.94279 -19.7456 -11.052 45.8076 TIMING: 4428400 CPU: 12819.6, 0.00295581/step Wall: 12819.6, 0.00295581/step, 0.469318 hours remaining, 212.214844 MB of memory in use. ENERGY: 4428400 753.2276 2123.1186 1959.0863 109.4395 -206246.9589 17843.3481 0.0000 0.0000 34303.0434 -149155.6954 299.5770 -183458.7388 -149060.0694 299.3056 -65.0038 -31.4458 557476.7005 9.6764 9.6564 PRESSURE: 4428600 -49.1562 -79.1651 206.832 -79.1634 46.187 88.773 206.832 88.7721 -110.919 GPRESSURE: 4428600 23.0808 -120.553 249.248 -31.9802 68.9672 138.66 159.733 37.2371 -120.838 PRESSAVG: 4428600 19.3752 -27.276 -15.5339 -27.2761 31.3044 30.228 -15.5339 30.228 -27.007 GPRESSAVG: 4428600 18.4591 -27.41 -16.6171 -27.9516 31.7864 32.1652 -15.006 29.5251 -27.7228 TIMING: 4428600 CPU: 12820.2, 0.00290033/step Wall: 12820.2, 0.00290033/step, 0.460347 hours remaining, 212.285156 MB of memory in use. ENERGY: 4428600 743.9998 2128.6849 1931.5235 113.1083 -205839.5828 17604.2791 0.0000 0.0000 34232.6313 -149085.3558 298.9621 -183317.9872 -148988.2742 299.5938 -37.9628 -9.5967 556025.9488 7.8909 7.5076 PRESSURE: 4428800 -213.436 -249.012 -51.3929 -249.011 139.994 35.2366 -51.3917 35.2374 100.322 GPRESSURE: 4428800 -208.204 -154.255 -43.3149 -274.241 212.379 -60.998 13.2791 91.7455 120.392 PRESSAVG: 4428800 -45.2872 -44.6101 -1.78657 -44.6101 55.6444 3.41272 -1.78645 3.41279 0.494892 GPRESSAVG: 4428800 -45.8004 -44.935 -1.59077 -43.3019 56.2639 -1.52941 -0.619387 7.67547 0.638726 TIMING: 4428800 CPU: 12820.7, 0.00290069/step Wall: 12820.7, 0.00290069/step, 0.460243 hours remaining, 212.285156 MB of memory in use. ENERGY: 4428800 738.7448 2160.6682 1946.3441 116.3865 -206068.0181 17678.3614 0.0000 0.0000 34406.0877 -149021.4254 300.4769 -183427.5131 -148924.5154 300.3266 8.9601 41.5225 556544.8371 3.6173 3.7008 PRESSURE: 4429000 -16.4427 -132.692 24.1687 -132.691 32.0063 150.655 24.1711 150.654 274.874 GPRESSURE: 4429000 -2.79318 -57.3648 82.8038 -173.703 75.6526 131.436 25.1125 170.474 309.997 PRESSAVG: 4429000 -79.8617 -78.4322 27.0595 -78.4321 34.1924 -6.42862 27.0595 -6.42861 25.6796 GPRESSAVG: 4429000 -79.9353 -80.4091 28.131 -77.7291 33.8047 -2.02536 26.6872 -7.93083 26.2625 TIMING: 4429000 CPU: 12821.3, 0.00288437/step Wall: 12821.3, 0.00288437/step, 0.457493 hours remaining, 212.285156 MB of memory in use. ENERGY: 4429000 721.4126 2079.6219 1940.9861 114.7326 -206073.2777 17874.7311 0.0000 0.0000 34400.0992 -148941.6942 300.4246 -183341.7934 -148844.1390 299.9421 96.8124 127.6188 557224.5344 -6.6632 -6.6227 PRESSURE: 4429200 156.143 -101.434 -12.0441 -101.435 94.83 130.057 -12.044 130.057 -29.5866 GPRESSURE: 4429200 211.075 -60.3836 -61.9023 -138.164 95.2814 101.289 9.65984 122.997 12.8306 PRESSAVG: 4429200 -20.7084 -0.957379 -46.7769 -0.957452 -14.9092 23.7363 -46.7769 23.7362 26.1657 GPRESSAVG: 4429200 -18.8698 -0.989431 -46.0366 -1.35839 -15.7554 21.861 -46.2389 23.9391 25.5164 TIMING: 4429200 CPU: 12821.9, 0.00288742/step Wall: 12821.9, 0.00288742/step, 0.457816 hours remaining, 212.285156 MB of memory in use. ENERGY: 4429200 740.7225 2095.8211 1963.1319 128.2686 -206480.1079 18127.5152 0.0000 0.0000 34345.7084 -149078.9402 299.9496 -183424.6486 -148982.0425 299.9266 73.7953 106.3958 556903.7215 -3.1506 -3.0363 PRESSURE: 4429400 286.365 43.4586 -78.896 43.4589 44.7465 47.829 -78.8957 47.8285 279.592 GPRESSURE: 4429400 333.228 130.615 -17.7857 13.966 90.5097 79.9656 -123.918 1.5009 287.526 PRESSAVG: 4429400 65.177 25.636 -10.4841 25.6358 -59.6626 -9.09159 -10.4841 -9.09166 -33.8078 GPRESSAVG: 4429400 65.2663 25.8515 -9.64367 25.6987 -59.2311 -9.70129 -11.7754 -8.61288 -33.4694 TIMING: 4429400 CPU: 12822.5, 0.00288857/step Wall: 12822.5, 0.00288857/step, 0.457838 hours remaining, 212.285156 MB of memory in use. ENERGY: 4429400 724.0264 2162.3249 1946.4688 111.8546 -206061.8086 18069.7893 0.0000 0.0000 34169.9251 -148877.4195 298.4145 -183047.3446 -148787.8267 299.9503 203.5677 237.0881 556856.6420 -9.4311 -9.1447 PRESSURE: 4429600 119.884 -78.0589 45.0968 -78.0592 210.904 61.4479 45.0972 61.447 106.258 GPRESSURE: 4429600 175.974 -54.7145 -44.9195 -43.2741 203.555 47.6883 0.967571 44.3091 156.164 PRESSAVG: 4429600 11.0513 40.6116 47.0079 40.6114 -84.2923 -15.0361 47.0078 -15.0359 64.171 GPRESSAVG: 4429600 9.8673 38.0475 45.7573 42.3346 -83.1479 -12.3706 48.6953 -16.2088 63.8537 TIMING: 4429600 CPU: 12823, 0.00290247/step Wall: 12823, 0.00290247/step, 0.45988 hours remaining, 212.285156 MB of memory in use. ENERGY: 4429600 769.3723 2085.6002 1932.8351 121.5764 -206249.6693 18100.3767 0.0000 0.0000 34534.0430 -148705.8656 301.5944 -183239.9086 -148621.8554 300.8923 145.6821 178.5643 558229.6441 -3.0233 -3.1423 PRESSURE: 4429800 183.403 59.2034 97.0973 59.203 -31.5229 78.6815 97.0968 78.6821 264.979 GPRESSURE: 4429800 167.579 24.4173 105.733 60.3926 19.7455 89.8514 57.3244 57.2517 320.036 PRESSAVG: 4429800 -56.4149 55.1405 -2.80541 55.1405 20.5939 22.7313 -2.80535 22.7313 37.2719 GPRESSAVG: 4429800 -55.5341 57.979 -1.44618 54.6209 19.9496 22.1966 -4.65786 22.7933 37.3216 TIMING: 4429800 CPU: 12823.6, 0.00289553/step Wall: 12823.6, 0.00289553/step, 0.45862 hours remaining, 212.285156 MB of memory in use. ENERGY: 4429800 724.4574 2138.1691 1937.7318 106.9728 -206303.3020 18024.2022 0.0000 0.0000 34436.3709 -148935.3978 300.7414 -183371.7687 -148837.7792 300.4054 138.9532 169.1201 558826.7551 0.4836 0.5790 PRESSURE: 4430000 38.6894 72.6925 45.1527 72.6933 -218.431 84.106 45.1507 84.1043 -91.8622 GPRESSURE: 4430000 105.643 44.7426 42.1873 81.758 -183.431 88.533 40.3597 80.4573 -84.5181 PRESSAVG: 4430000 -34.0409 36.4585 16.2792 36.4585 29.7525 52.0839 16.2791 52.0839 8.57587 GPRESSAVG: 4430000 -34.803 36.786 15.8282 35.0726 30.0996 49.5694 15.3199 53.1269 8.75166 TIMING: 4430000 CPU: 12824.2, 0.00288015/step Wall: 12824.2, 0.00288015/step, 0.456023 hours remaining, 212.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4430000 740.8874 2054.4473 1966.9246 109.5217 -206095.0550 17754.7596 0.0000 0.0000 34364.9444 -149103.5699 300.1176 -183468.5143 -148999.2116 299.2968 -90.5345 -54.1020 558426.1029 1.4292 1.3494 PRESSURE: 4430200 5.35576 -8.2467 -41.5409 -8.24656 -87.3833 -64.7094 -41.5413 -64.7079 -53.0127 GPRESSURE: 4430200 49.5291 24.1987 -98.7034 -14.73 -72.6375 -17.8023 -73.9945 -10.3413 -24.7643 PRESSAVG: 4430200 17.8149 25.8722 23.1826 25.8722 -79.2036 43.2648 23.1826 43.2646 8.93909 GPRESSAVG: 4430200 17.6231 25.4677 22.3642 27.5199 -78.1222 44.9226 25.526 42.1726 7.89167 TIMING: 4430200 CPU: 12824.8, 0.00288208/step Wall: 12824.8, 0.00288208/step, 0.456169 hours remaining, 212.285156 MB of memory in use. ENERGY: 4430200 751.3717 2090.2158 1956.1099 103.3100 -205801.0026 17709.1547 0.0000 0.0000 34069.6697 -149121.1708 297.5389 -183190.8405 -149019.1940 298.9041 -45.0134 -15.9576 557485.7293 -17.4832 -17.5358 PRESSURE: 4430400 -31.0894 173.439 127.925 173.437 106.438 -14.1043 127.925 -14.1034 32.3054 GPRESSURE: 4430400 28.3024 246.819 167.03 147.349 82.1168 -82.826 112.29 35.6678 102.706 PRESSAVG: 4430400 1.83462 49.3065 -4.90579 49.3065 97.9405 42.473 -4.9057 42.473 -16.5074 GPRESSAVG: 4430400 2.91627 51.138 -4.07121 49.5555 95.4082 42.0482 -5.54503 42.5156 -14.7487 TIMING: 4430400 CPU: 12825.4, 0.00288833/step Wall: 12825.4, 0.00288833/step, 0.456998 hours remaining, 212.285156 MB of memory in use. ENERGY: 4430400 689.2352 2140.3274 1945.5254 117.1868 -205753.0503 17706.6238 0.0000 0.0000 34153.5135 -149000.6381 298.2711 -183154.1516 -148902.3500 299.2771 35.8848 71.0417 557219.2207 27.7559 27.8586 PRESSURE: 4430600 -82.141 -158.415 -160.272 -158.415 59.0762 -76.6245 -160.272 -76.6244 -79.4415 GPRESSURE: 4430600 -18.1948 -129.838 -265.472 -149.963 93.2495 -33.0771 -181.385 -21.5387 -83.7647 PRESSAVG: 4430600 -34.424 37.8238 6.13464 37.8237 9.25088 72.2413 6.13467 72.2413 51.7998 GPRESSAVG: 4430600 -33.4138 37.2853 5.11704 36.6307 11.0962 70.4027 7.25943 73.3061 49.0291 TIMING: 4430600 CPU: 12825.9, 0.00287661/step Wall: 12825.9, 0.00287661/step, 0.454983 hours remaining, 212.285156 MB of memory in use. ENERGY: 4430600 749.2972 2102.9266 1946.5551 115.8115 -206248.3541 17753.9023 0.0000 0.0000 34586.5362 -148993.3252 302.0528 -183579.8613 -148899.2145 299.6963 -34.1688 -2.9033 557129.3993 8.8756 8.9038 PRESSURE: 4430800 48.625 42.8993 150.446 42.899 -178.478 205.093 150.446 205.096 -189.11 GPRESSURE: 4430800 58.9348 16.9152 74.853 24.3696 -133.499 184.18 192.269 183.081 -137.981 PRESSAVG: 4430800 -3.04121 -45.5979 -21.2439 -45.5979 -0.946757 84.2719 -21.2438 84.2718 -28.9735 GPRESSAVG: 4430800 -3.88499 -45.8932 -21.4035 -42.7278 -2.15084 86.0122 -22.8992 84.5454 -27.1673 TIMING: 4430800 CPU: 12826.5, 0.00286771/step Wall: 12826.5, 0.00286771/step, 0.453416 hours remaining, 212.285156 MB of memory in use. ENERGY: 4430800 757.7247 2095.2327 1930.2248 118.1179 -205876.4294 17769.5086 0.0000 0.0000 34277.1839 -148928.4369 299.3512 -183205.6208 -148831.2069 299.3900 -106.3209 -70.8485 559065.8102 -10.9872 -11.0677 PRESSURE: 4431000 68.9169 19.8 119.851 19.8011 104.766 73.3427 119.851 73.3436 50.6789 GPRESSURE: 4431000 101.867 34.1541 51.9715 59.4252 116.569 157.451 149.233 -11.8081 95.9099 PRESSAVG: 4431000 8.18968 -18.0692 95.3171 -18.0692 -24.7553 37.2146 95.3171 37.2146 3.06813 GPRESSAVG: 4431000 7.12158 -15.971 95.4018 -23.7428 -23.74 37.996 96.6591 36.8518 3.12769 TIMING: 4431000 CPU: 12827.1, 0.00286236/step Wall: 12827.1, 0.00286236/step, 0.452411 hours remaining, 212.285156 MB of memory in use. ENERGY: 4431000 741.9836 2077.7102 1929.2767 115.0613 -206422.3382 17878.3353 0.0000 0.0000 34520.8260 -149159.1451 301.4790 -183679.9711 -149063.9511 300.4324 74.7872 104.7819 556943.9173 -4.4992 -4.4969 PRESSURE: 4431200 -172.499 57.5506 -20.354 57.5509 -130.397 197.317 -20.3525 197.317 -194.45 GPRESSURE: 4431200 -56.9033 -22.2017 -118.826 101.483 -139.456 182.375 45.6526 251.909 -203.041 PRESSAVG: 4431200 5.68275 -4.34949 15.3146 -4.34953 14.1539 116.663 15.3147 116.663 -11.0918 GPRESSAVG: 4431200 6.29385 -7.62635 14.2864 -0.677649 12.3943 116.872 15.9489 114.588 -9.93385 TIMING: 4431200 CPU: 12827.6, 0.00286958/step Wall: 12827.6, 0.00286958/step, 0.453393 hours remaining, 212.285156 MB of memory in use. ENERGY: 4431200 718.9584 2116.9164 1927.6581 105.8436 -205719.3381 17512.5950 0.0000 0.0000 34338.8041 -148998.5625 299.8893 -183337.3666 -148906.1101 300.2728 -165.7819 -133.1334 558686.4096 2.9149 2.9181 PRESSURE: 4431400 -99.2653 29.0068 1.88966 29.0061 51.1992 -101.382 1.88972 -101.383 -128.915 GPRESSURE: 4431400 24.0647 111.319 55.6054 14.2043 61.7196 -90.6917 -5.14088 -58.7356 -162.197 PRESSAVG: 4431400 -13.032 -28.2961 24.9414 -28.2961 29.4892 -18.3515 24.9413 -18.3515 -32.3898 GPRESSAVG: 4431400 -12.6765 -30.1625 25.0977 -27.2712 29.9282 -18.8451 22.0505 -18.4281 -32.5556 TIMING: 4431400 CPU: 12828.2, 0.00287977/step Wall: 12828.2, 0.00287977/step, 0.454843 hours remaining, 212.285156 MB of memory in use. ENERGY: 4431400 738.6539 2118.4530 1933.7327 121.7008 -206183.6324 17798.5900 0.0000 0.0000 34318.6593 -149153.8428 299.7134 -183472.5021 -149051.3199 299.8042 -58.9938 -25.4708 557511.7099 -5.3109 -5.1013 PRESSURE: 4431600 -1.53622 91.5694 56.3423 91.5687 -151.241 44.93 56.3422 44.9295 -90.9078 GPRESSURE: 4431600 22.4991 117.857 48.9579 16.2129 -96.0675 19.5159 64.6459 96.9126 -64.0221 PRESSAVG: 4431600 -37.7942 27.5232 38.9418 27.5232 -2.20464 -21.3311 38.9419 -21.3311 -11.9195 GPRESSAVG: 4431600 -38.9538 30.9525 39.8638 25.5211 -0.834779 -21.4905 40.1608 -22.2059 -11.8682 TIMING: 4431600 CPU: 12828.8, 0.00289128/step Wall: 12828.8, 0.00289128/step, 0.456502 hours remaining, 212.285156 MB of memory in use. ENERGY: 4431600 713.6363 2095.5508 1953.4114 111.8206 -205930.3181 17464.2708 0.0000 0.0000 34459.4960 -149132.1322 300.9433 -183591.6283 -149035.5650 299.8516 -81.2283 -45.8635 557067.3829 -17.3061 -17.2190 PRESSURE: 4431800 -197.724 -131.222 -115.133 -131.223 192.129 52.3073 -115.133 52.3072 164.445 GPRESSURE: 4431800 -167.68 -130.585 -128.257 -32.3205 227.695 -38.4621 -104.873 19.0887 200.149 PRESSAVG: 4431800 -73.5902 58.6042 -1.33583 58.6042 -3.29072 4.34525 -1.33591 4.34523 22.7114 GPRESSAVG: 4431800 -73.7001 57.7337 -2.2594 60.2429 -3.02203 2.41052 -1.5577 4.98997 22.6716 TIMING: 4431800 CPU: 12829.4, 0.00288084/step Wall: 12829.4, 0.00288084/step, 0.454692 hours remaining, 212.285156 MB of memory in use. ENERGY: 4431800 765.2662 2030.6103 1956.0513 121.4879 -206023.3413 17920.9687 0.0000 0.0000 34248.6452 -148980.3118 299.1019 -183228.9570 -148891.8302 299.7030 52.9501 86.7213 558555.8856 -18.0565 -18.0168 PRESSURE: 4432000 -222.691 -128.978 -21.8909 -128.978 55.1744 -83.6363 -21.8908 -83.6355 -283.262 GPRESSURE: 4432000 -257.625 -116.249 76.7717 -120.092 89.241 8.25581 -97.4515 -97.7125 -194.711 PRESSAVG: 4432000 -89.7981 43.4245 -2.88282 43.4244 84.7338 15.6661 -2.88277 15.666 48.7925 GPRESSAVG: 4432000 -90.0628 42.8748 -2.8805 43.7795 84.6833 16.9463 -0.756146 16.786 48.8571 TIMING: 4432000 CPU: 12830, 0.00287831/step Wall: 12830, 0.00287831/step, 0.454133 hours remaining, 212.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4432000 775.8820 2051.3294 1936.8471 116.3017 -206107.5625 17576.9549 0.0000 0.0000 34417.8318 -149232.4155 300.5795 -183650.2474 -149131.4881 300.4019 -150.2593 -121.0316 556758.7220 14.5761 14.4925 PRESSURE: 4432200 -222.473 2.25358 -54.3467 2.2541 -30.9467 43.9793 -54.3476 43.9801 61.7345 GPRESSURE: 4432200 -191.91 27.5475 -96.0728 51.4873 5.28797 -81.953 -53.7075 29.8296 87.6136 PRESSAVG: 4432200 -33.2576 -31.9509 -11.0709 -31.9509 57.2169 -1.96674 -11.0709 -1.96686 18.684 GPRESSAVG: 4432200 -32.6501 -30.6126 -9.87232 -33.4396 56.6222 -1.11478 -12.3159 -2.55636 18.3797 TIMING: 4432200 CPU: 12830.5, 0.00286871/step Wall: 12830.5, 0.00286871/step, 0.452459 hours remaining, 212.285156 MB of memory in use. ENERGY: 4432200 768.5978 2076.4351 1922.2231 112.2000 -206046.6251 17676.8775 0.0000 0.0000 34260.5648 -149229.7267 299.2060 -183490.2915 -149132.8821 299.5262 -63.8950 -33.0028 557256.6373 14.2144 14.1173 LDB: ============= START OF LOAD BALANCING ============== 12833.9 LDB: ============== END OF LOAD BALANCING =============== 12833.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12833.9 LDB: ============= START OF LOAD BALANCING ============== 12834.2 LDB: Largest compute 4773 load 0.024242 is 20.5% of average load 0.118073 LDB: Average compute 0.001730 is 1.5% of average load 0.118073 LDB: TIME 12834.2 LOAD: AVG 0.118073 MAX 0.179229 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.379 MB LDB: TIME 12834.2 LOAD: AVG 0.118073 MAX 0.179229 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: TIME 12834.2 LOAD: AVG 0.118073 MAX 0.179229 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12834.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12834.2 PRESSURE: 4432400 -22.3361 -24.1231 69.0188 -24.122 -105.486 66.0984 69.0183 66.0982 -179.086 GPRESSURE: 4432400 6.07172 -31.4151 118.597 -30.884 -103.316 114.138 -19.286 61.6918 -96.3842 PRESSAVG: 4432400 -11.6345 -3.06492 -4.18339 -3.06482 64.5044 3.38892 -4.18341 3.38898 -24.8781 GPRESSAVG: 4432400 -11.1224 -3.38065 -5.97629 -2.88371 63.9245 2.6194 -4.21772 3.61486 -24.4861 TIMING: 4432400 CPU: 12831.1, 0.00294391/step Wall: 12831.1, 0.00294391/step, 0.464157 hours remaining, 210.613281 MB of memory in use. ENERGY: 4432400 752.2038 2087.5320 1922.8114 115.3851 -205900.7613 17783.6245 0.0000 0.0000 34068.2465 -149170.9579 297.5265 -183239.2044 -149071.1908 299.1576 -102.3026 -64.5430 558065.2618 9.3306 9.4387 PRESSURE: 4432600 76.0652 -104.655 -29.9317 -104.655 230.623 -24.979 -29.9329 -24.9773 326.4 GPRESSURE: 4432600 124.508 -57.873 32.3249 -114.625 262.259 -64.9902 -73.1732 39.2176 349.853 PRESSAVG: 4432600 -23.1092 -25.4397 2.96475 -25.4397 -6.84057 40.1921 2.96485 40.1921 17.5157 GPRESSAVG: 4432600 -22.8871 -24.1596 2.6127 -25.8488 -7.05768 41.0931 2.63524 39.8208 17.5582 TIMING: 4432600 CPU: 12831.7, 0.00286072/step Wall: 12831.7, 0.00286072/step, 0.450882 hours remaining, 210.613281 MB of memory in use. ENERGY: 4432600 702.8500 2101.3181 1913.7343 112.0974 -206134.0501 17881.9621 0.0000 0.0000 34308.9923 -149113.0960 299.6290 -183422.0883 -149023.7660 298.9661 211.0293 245.5403 556699.9645 -4.1447 -4.1289 PRESSURE: 4432800 -37.1494 146.171 -88.9017 146.172 -51.6378 116.032 -88.9014 116.032 -17.4254 GPRESSURE: 4432800 -4.38084 48.5655 -35.2028 192.943 -8.57374 139.279 -54.1369 57.2849 16.2699 PRESSAVG: 4432800 -35.3414 35.9716 32.0057 35.9716 2.29659 17.3817 32.0058 17.3819 -25.4094 GPRESSAVG: 4432800 -34.6448 35.2772 34.5982 36.4988 2.13735 16.571 30.6646 16.6986 -25.4931 TIMING: 4432800 CPU: 12832.3, 0.00286834/step Wall: 12832.3, 0.00286834/step, 0.451924 hours remaining, 210.613281 MB of memory in use. ENERGY: 4432800 741.8158 2042.5582 1948.1701 119.9141 -205620.3768 17634.9540 0.0000 0.0000 33940.6679 -149192.2967 296.4123 -183132.9646 -149101.3186 298.9198 -35.4042 1.1051 557204.0962 -19.4847 -19.3335 PRESSURE: 4433000 175.13 -110.876 58.4377 -110.877 62.2157 -16.3112 58.437 -16.3118 -4.29445 GPRESSURE: 4433000 220.049 -170.677 -20.9602 -78.91 138.664 -38.7917 56.2948 -59.6307 -24.5763 PRESSAVG: 4433000 -31.5062 74.6683 -59.3933 74.6683 -9.15799 -1.67018 -59.3933 -1.67041 -0.665543 GPRESSAVG: 4433000 -32.2217 73.5749 -61.0252 74.6204 -8.05345 -2.1885 -59.6773 -2.19283 -0.812503 TIMING: 4433000 CPU: 12832.8, 0.00286406/step Wall: 12832.8, 0.00286406/step, 0.451089 hours remaining, 210.613281 MB of memory in use. ENERGY: 4433000 745.9825 2086.0164 1901.9634 109.9934 -206329.0999 18102.5758 0.0000 0.0000 34201.3905 -149181.1778 298.6892 -183382.5684 -149088.7449 299.2843 77.6838 111.3790 556424.5272 -13.7766 -13.6959 PRESSURE: 4433200 -287.436 75.2445 48.9804 75.2431 -170.621 46.37 48.9791 46.3696 -137.231 GPRESSURE: 4433200 -251.57 69.5335 31.9395 115.899 -155.517 78.6145 77.8808 80.7019 -99.3834 PRESSAVG: 4433200 -55.8439 21.4758 -28.1151 21.4757 -47.4348 -4.46126 -28.1152 -4.46131 37.4945 GPRESSAVG: 4433200 -55.8807 21.8898 -26.3408 22.1234 -46.9384 -4.41064 -25.7461 -4.03288 36.8531 TIMING: 4433200 CPU: 12833.4, 0.00286711/step Wall: 12833.4, 0.00286711/step, 0.451411 hours remaining, 210.613281 MB of memory in use. ENERGY: 4433200 771.1779 2137.4997 1947.7655 118.9897 -206182.2554 17503.1060 0.0000 0.0000 34402.0699 -149301.6467 300.4418 -183703.7166 -149203.8970 299.4322 -198.4292 -168.8237 556680.8173 -21.9280 -21.9887 PRESSURE: 4433400 -143.863 58.3708 -130.783 58.3707 7.25005 121.408 -130.781 121.407 56.9622 GPRESSURE: 4433400 -77.9243 -14.2544 -112.612 17.01 33.8962 171.252 -187.892 -4.81251 52.3483 PRESSAVG: 4433400 -17.7676 11.7077 -1.07832 11.7077 -29.4313 -5.03851 -1.07828 -5.03851 16.1586 GPRESSAVG: 4433400 -18.1682 13.2944 -4.08885 10.6702 -30.2165 -5.71596 -0.169919 -4.51922 16.89 TIMING: 4433400 CPU: 12834, 0.00287794/step Wall: 12834, 0.00287794/step, 0.452956 hours remaining, 210.613281 MB of memory in use. ENERGY: 4433400 733.5148 2072.6735 1945.7800 109.3852 -205974.2065 17748.3789 0.0000 0.0000 34032.7723 -149331.7018 297.2167 -183364.4741 -149233.8260 298.7386 -26.5502 2.7734 558118.8250 -10.3468 -10.4983 PRESSURE: 4433600 105.575 -81.6157 29.8917 -81.6159 -30.8461 46.4543 29.8914 46.4545 -237.269 GPRESSURE: 4433600 95.6321 -9.98145 73.1263 -166.733 28.0958 76.2977 18.9802 -28.8752 -186.853 PRESSAVG: 4433600 1.64297 29.4716 0.543122 29.4717 10.4298 -33.7549 0.543189 -33.755 9.82031 GPRESSAVG: 4433600 2.54373 28.6218 2.59593 27.5124 10.0418 -31.0319 -0.539103 -33.6035 9.46191 TIMING: 4433600 CPU: 12834.6, 0.00289217/step Wall: 12834.6, 0.00289217/step, 0.455035 hours remaining, 210.613281 MB of memory in use. ENERGY: 4433600 742.2689 2133.4045 1918.3924 107.5501 -206431.3060 17964.5017 0.0000 0.0000 34346.9757 -149218.2127 299.9607 -183565.1884 -149125.0338 299.3242 -54.1799 -21.0417 557773.1737 7.2977 7.3491 PRESSURE: 4433800 11.2241 46.0797 14.6861 46.0789 9.60228 111.124 14.6858 111.125 160.548 GPRESSURE: 4433800 50.637 35.4586 16.5921 76.8572 41.7016 86.8329 -85.0057 44.5028 195.628 PRESSAVG: 4433800 10.8886 19.9686 -23.7502 19.9686 37.9581 -17.3518 -23.7502 -17.3518 -17.304 GPRESSAVG: 4433800 9.73634 20.786 -25.4384 22.9243 38.5155 -18.9326 -23.202 -17.5932 -16.846 TIMING: 4433800 CPU: 12835.1, 0.00289274/step Wall: 12835.1, 0.00289274/step, 0.454963 hours remaining, 210.613281 MB of memory in use. ENERGY: 4433800 762.1250 2053.2339 1932.1580 111.2314 -206494.5347 18221.3076 0.0000 0.0000 34263.3962 -149151.0826 299.2308 -183414.4788 -149053.5726 299.1969 60.4582 95.9888 557823.6741 10.5142 10.4686 PRESSURE: 4434000 -188.862 -9.09741 18.8077 -9.09872 -89.003 39.7471 18.8088 39.7486 96.9188 GPRESSURE: 4434000 -128.02 -33.6159 10.2667 10.7596 -66.6064 51.6456 -35.6253 16.8506 101.928 PRESSAVG: 4434000 -30.1115 -48.0043 -55.1559 -48.0043 -12.4815 -57.7785 -55.156 -57.7785 69.4974 GPRESSAVG: 4434000 -31.1629 -49.0853 -53.5724 -49.8542 -12.2673 -56.5963 -57.2725 -56.5444 70.1385 TIMING: 4434000 CPU: 12835.7, 0.0028966/step Wall: 12835.7, 0.0028966/step, 0.45541 hours remaining, 210.613281 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: 4434000 724.0673 2169.6156 1944.4483 123.2824 -206162.2386 17676.0297 0.0000 0.0000 34239.7072 -149285.0881 299.0239 -183524.7953 -149194.5178 299.2818 -60.3153 -30.8995 557801.5192 8.9681 8.9028 PRESSURE: 4434200 -158.058 -24.4501 -98.3234 -24.4498 110.294 -111.031 -98.3236 -111.031 55.6638 GPRESSURE: 4434200 -120.62 -47.2237 -102.53 -35.4733 70.4401 -127.445 -145.271 -54.6886 140.81 PRESSAVG: 4434200 -13.6055 -11.6111 1.77193 -11.611 -5.58188 -26.2882 1.77197 -26.2882 -3.90124 GPRESSAVG: 4434200 -12.8019 -11.1073 2.03678 -10.9526 -6.48336 -23.3 2.39663 -29.4336 -4.24242 TIMING: 4434200 CPU: 12836.3, 0.00287261/step Wall: 12836.3, 0.00287261/step, 0.451478 hours remaining, 210.613281 MB of memory in use. ENERGY: 4434200 770.5851 2130.3015 1919.0795 110.9662 -206376.1850 17829.7244 0.0000 0.0000 34186.1339 -149429.3944 298.5560 -183615.5283 -149340.9181 298.7513 2.6332 30.2100 556878.2400 -7.6962 -7.8426 PRESSURE: 4434400 -28.2479 -177.994 95.6913 -177.994 -127.377 -107.202 95.6925 -107.202 -124.39 GPRESSURE: 4434400 -0.203298 -132.534 58.7746 -215.389 -90.8316 -74.328 61.8775 -69.5821 -92.2598 PRESSAVG: 4434400 -41.9485 7.12449 -81.9634 7.12447 40.7581 5.26136 -81.9634 5.26143 -14.7836 GPRESSAVG: 4434400 -41.9829 9.21017 -81.9331 6.35895 42.7892 1.43801 -81.4485 7.59626 -17.0417 TIMING: 4434400 CPU: 12836.9, 0.00288633/step Wall: 12836.9, 0.00288633/step, 0.453475 hours remaining, 210.613281 MB of memory in use. ENERGY: 4434400 773.7948 2080.3030 1902.3054 102.5621 -206361.0366 17841.0897 0.0000 0.0000 34083.5526 -149577.4290 297.6601 -183660.9816 -149471.3095 298.6893 -93.3386 -61.0983 557137.0217 -5.3247 -5.4118 PRESSURE: 4434600 201.189 -7.47751 58.5447 -7.47699 -48.2157 54.7786 58.5448 54.7799 -51.7071 GPRESSURE: 4434600 150.818 -13.0165 -8.4881 93.5796 0.65451 124.417 183.235 -8.85084 60.5699 PRESSAVG: 4434600 142.563 -3.07036 -14.7743 -3.07037 -19.5192 23.247 -14.7743 23.2471 -49.5147 GPRESSAVG: 4434600 141.553 -5.5975 -15.8424 -1.04093 -20.9427 21.258 -11.9654 24.3793 -46.4857 TIMING: 4434600 CPU: 12837.4, 0.00286733/step Wall: 12837.4, 0.00286733/step, 0.45033 hours remaining, 210.613281 MB of memory in use. ENERGY: 4434600 734.8305 2032.1764 1939.4571 113.8757 -206899.3767 18232.5339 0.0000 0.0000 34210.1048 -149636.3983 298.7654 -183846.5031 -149534.2779 298.4613 33.7553 70.6807 556418.3033 24.5096 24.7081 PRESSURE: 4434800 -186.738 -43.1604 26.1494 -43.1615 -15.7027 -152.704 26.1501 -152.704 -28.1944 GPRESSURE: 4434800 -137.652 -123.322 95.8005 18.486 -17.4499 -135.985 34.7222 -181.951 14.1161 PRESSAVG: 4434800 81.8353 14.0843 33.9096 14.0843 -62.2215 -25.7402 33.9096 -25.7403 35.5418 GPRESSAVG: 4434800 82.548 13.7134 35.8455 14.3604 -62.3057 -22.6754 30.6407 -27.6882 33.9825 TIMING: 4434800 CPU: 12838, 0.00287925/step Wall: 12838, 0.00287925/step, 0.452042 hours remaining, 210.613281 MB of memory in use. ENERGY: 4434800 744.8132 2149.0604 1928.9454 125.2545 -206629.5585 17898.8949 0.0000 0.0000 34132.5491 -149650.0410 298.0880 -183782.5901 -149560.7539 298.4133 -76.8785 -46.9954 558090.6942 18.3852 18.0750 PRESSURE: 4435000 74.3576 -119.795 -18.5439 -119.795 -0.497608 -16.254 -18.5422 -16.2545 104.443 GPRESSURE: 4435000 102.804 -137.525 -36.8879 -94.2874 40.7119 36.989 9.05288 -53.4464 133.522 PRESSAVG: 4435000 65.0661 -9.95866 73.3139 -9.95866 -57.8561 -47.061 73.314 -47.061 -0.00208948 GPRESSAVG: 4435000 65.7958 -12.2222 73.0597 -10.3138 -58.073 -46.9882 73.4776 -47.2553 -0.408946 TIMING: 4435000 CPU: 12838.6, 0.00288212/step Wall: 12838.6, 0.00288212/step, 0.452332 hours remaining, 210.613281 MB of memory in use. ENERGY: 4435000 743.7250 2108.0030 1967.5046 121.6632 -206666.4641 17925.2514 0.0000 0.0000 34256.0975 -149544.2194 299.1670 -183800.3169 -149446.8596 298.5457 59.4345 92.3459 556584.0976 2.4026 2.4380 PRESSURE: 4435200 71.2603 116.249 -109.213 116.248 141.229 202.132 -109.214 202.131 175.315 GPRESSURE: 4435200 160.601 81.6559 -137.311 -36.0107 178.638 320.031 -58.2194 165.413 137.746 PRESSAVG: 4435200 27.5874 17.9573 24.893 17.9573 -50.9874 7.16871 24.8929 7.16876 11.3833 GPRESSAVG: 4435200 28.1103 21.2965 23.6194 16.81 -50.6124 7.58929 25.5361 6.65502 10.6676 TIMING: 4435200 CPU: 12839.2, 0.00287532/step Wall: 12839.2, 0.00287532/step, 0.451106 hours remaining, 210.613281 MB of memory in use. ENERGY: 4435200 744.5866 2100.1746 1941.9417 110.3953 -206483.4932 18010.6390 0.0000 0.0000 34100.9934 -149474.7626 297.8125 -183575.7560 -149384.5527 298.3250 129.2680 158.9951 557081.1685 -4.0056 -3.9449 PRESSURE: 4435400 -454.365 133.396 -78.1821 133.394 165.974 95.5635 -78.1813 95.5637 -270.205 GPRESSURE: 4435400 -421.324 208.51 -151.371 41.5265 129.514 145.737 -85.9915 83.0915 -171.238 PRESSAVG: 4435400 -50.7323 -17.0275 -7.13044 -17.0276 -1.61957 50.1869 -7.13037 50.1869 30.9678 GPRESSAVG: 4435400 -50.996 -17.1416 -9.5384 -16.5506 -2.15394 49.1124 -7.03507 50.1455 32.153 TIMING: 4435400 CPU: 12839.8, 0.00291157/step Wall: 12839.8, 0.00291157/step, 0.456631 hours remaining, 210.613281 MB of memory in use. ENERGY: 4435400 742.3092 2073.1301 1942.7056 110.0147 -206323.8932 17643.4815 0.0000 0.0000 34323.9851 -149488.2670 299.7599 -183812.2521 -149391.6727 298.7309 -186.1987 -154.3497 556918.9644 -7.1280 -6.9990 PRESSURE: 4435600 -256.135 13.9435 -116.163 13.9432 -105.848 -76.7442 -116.163 -76.744 -319.073 GPRESSURE: 4435600 -177.529 -45.3431 -126.686 66.5308 -118.756 -59.4465 -160.658 -120.166 -284.629 PRESSAVG: 4435600 -54.8188 6.16092 0.793611 6.16095 50.8064 -1.08214 0.793633 -1.08214 27.974 GPRESSAVG: 4435600 -54.6053 5.67492 5.56504 4.87639 51.5844 -1.11096 0.08931 0.343841 27.2783 TIMING: 4435600 CPU: 12840.3, 0.00288357/step Wall: 12840.3, 0.00288357/step, 0.45208 hours remaining, 210.613281 MB of memory in use. ENERGY: 4435600 785.5759 2119.5920 1925.6019 114.0412 -206337.4199 17630.4424 0.0000 0.0000 34338.8461 -149423.3204 299.8897 -183762.1665 -149333.8902 299.5647 -227.0189 -193.6377 557454.5897 7.9872 8.0858 PRESSURE: 4435800 208.948 105.04 103.845 105.04 -128.673 -134.318 103.845 -134.317 -26.6746 GPRESSURE: 4435800 269.916 -4.46156 48.8694 149.429 -86.1888 -49.0966 100.531 -135.556 -24.4138 PRESSAVG: 4435800 -48.5568 -39.0334 31.4537 -39.0335 16.3028 -22.0914 31.4536 -22.0914 11.6878 GPRESSAVG: 4435800 -48.7907 -38.0884 29.2013 -38.8083 16.5721 -21.8583 32.0481 -21.8605 11.4918 TIMING: 4435800 CPU: 12840.9, 0.00288376/step Wall: 12840.9, 0.00288376/step, 0.45195 hours remaining, 210.613281 MB of memory in use. ENERGY: 4435800 708.2717 2087.6068 1921.1578 110.5070 -206105.9714 17720.6414 0.0000 0.0000 34240.8416 -149316.9453 299.0338 -183557.7868 -149227.3061 298.9149 17.8668 53.1046 557611.0858 -6.8554 -6.9090 PRESSURE: 4436000 22.1814 -2.29101 27.6142 -2.29176 230.078 0.316477 27.6141 0.31474 60.9687 GPRESSURE: 4436000 130.829 -3.57297 103.808 -53.795 190.554 54.9038 -39.2755 -3.72617 101.958 PRESSAVG: 4436000 31.136 -0.210778 -23.0651 -0.210777 48.7869 27.4963 -23.0651 27.4962 -22.6777 GPRESSAVG: 4436000 31.7185 -0.755893 -22.296 -1.15986 47.1925 26.6707 -22.553 29.1622 -21.8097 TIMING: 4436000 CPU: 12841.5, 0.00288661/step Wall: 12841.5, 0.00288661/step, 0.452236 hours remaining, 210.613281 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: 4436000 764.9986 2034.1862 1903.6926 111.6275 -206446.5592 17906.0734 0.0000 0.0000 34367.3270 -149358.6539 300.1384 -183725.9808 -149259.9104 298.6693 104.4095 141.1136 556547.2167 19.0817 19.0338 PRESSURE: 4436200 -91.65 -70.6412 -74.177 -70.6425 -247.805 -118.282 -74.1775 -118.28 -151.415 GPRESSURE: 4436200 -68.5358 -112.111 -70.7756 -17.7742 -225.814 -98.4359 -93.3386 -105.549 -102.849 PRESSAVG: 4436200 -6.64724 81.398 -25.0715 81.398 -17.046 8.58766 -25.0715 8.58767 32.2776 GPRESSAVG: 4436200 -7.49329 83.9619 -26.4933 82.13 -16.1314 9.54444 -25.8191 7.14532 31.6473 TIMING: 4436200 CPU: 12842.1, 0.00289807/step Wall: 12842.1, 0.00289807/step, 0.45387 hours remaining, 210.613281 MB of memory in use. ENERGY: 4436200 751.5750 2079.6402 1948.6710 125.3077 -206041.3596 17641.0034 0.0000 0.0000 34090.1493 -149405.0130 297.7178 -183495.1623 -149308.7006 298.3565 -163.6235 -132.3995 558595.4882 2.8615 2.6742 LDB: ============= START OF LOAD BALANCING ============== 12845.4 LDB: ============== END OF LOAD BALANCING =============== 12845.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12845.5 LDB: ============= START OF LOAD BALANCING ============== 12845.7 LDB: Largest compute 4773 load 0.025028 is 21.2% of average load 0.118055 LDB: Average compute 0.001729 is 1.5% of average load 0.118055 LDB: TIME 12845.7 LOAD: AVG 0.118055 MAX 0.177472 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.086 MB LDB: TIME 12845.7 LOAD: AVG 0.118055 MAX 0.177472 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.125 MB LDB: TIME 12845.7 LOAD: AVG 0.118055 MAX 0.177472 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12845.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12845.7 PRESSURE: 4436400 -20.9764 -92.6264 77.7855 -92.6271 -35.9847 -29.7337 77.7864 -29.7333 235.69 GPRESSURE: 4436400 14.038 -152.921 56.2182 -46.8537 -69.5321 -13.2847 144.56 16.9569 326.814 PRESSAVG: 4436400 -22.351 -1.21974 -2.08427 -1.21974 -31.6721 -49.7029 -2.08421 -49.703 74.882 GPRESSAVG: 4436400 -22.0307 -2.84717 -1.80414 0.348597 -32.4835 -50.5476 -1.74212 -49.2792 74.9492 TIMING: 4436400 CPU: 12842.7, 0.00293224/step Wall: 12842.7, 0.00293224/step, 0.459059 hours remaining, 210.671875 MB of memory in use. ENERGY: 4436400 726.3013 2055.3094 1923.5200 124.6561 -206666.1451 17940.5153 0.0000 0.0000 34368.5467 -149527.2964 300.1491 -183895.8431 -149425.1810 298.1894 59.5764 90.4400 557483.4831 6.9530 6.8117 PRESSURE: 4436600 -195.536 39.9324 -24.8582 39.9316 -220.952 -42.521 -24.859 -42.5199 -177.431 GPRESSURE: 4436600 -171.611 32.0806 -51.3626 58.3655 -165.775 30.0885 -9.27026 -13.5022 -151.607 PRESSAVG: 4436600 20.6832 23.8123 40.6798 23.8123 -56.1676 -33.0079 40.6797 -33.008 33.6314 GPRESSAVG: 4436600 19.3342 23.7086 40.6535 22.0713 -54.0586 -33.4661 40.7784 -32.8249 32.8976 TIMING: 4436600 CPU: 12843.2, 0.00290304/step Wall: 12843.2, 0.00290304/step, 0.454325 hours remaining, 210.671875 MB of memory in use. ENERGY: 4436600 755.6599 2073.8040 1916.4894 110.9275 -206601.8326 17751.4586 0.0000 0.0000 34531.5653 -149461.9278 301.5727 -183993.4932 -149362.8795 299.0825 -197.9728 -162.9976 557628.1507 -0.6177 -0.6089 PRESSURE: 4436800 185.765 -30.9369 124.945 -30.9376 -197.56 -29.7198 124.945 -29.7197 98.6582 GPRESSURE: 4436800 205.26 60.999 196.775 -68.5237 -146.969 -84.3191 62.5888 -24.9123 125.854 PRESSAVG: 4436800 17.2115 -10.2759 24.6159 -10.276 -52.5005 -37.4424 24.6158 -37.4423 37.4663 GPRESSAVG: 4436800 17.1653 -12.7573 23.5041 -7.40957 -52.8339 -38.77 25.0834 -37.5135 38.1763 TIMING: 4436800 CPU: 12843.8, 0.00288392/step Wall: 12843.8, 0.00288392/step, 0.451173 hours remaining, 210.671875 MB of memory in use. ENERGY: 4436800 732.0534 2082.6463 1927.8075 93.6828 -206507.1735 17975.2907 0.0000 0.0000 34215.3902 -149480.3025 298.8115 -183695.6927 -149377.9338 298.4834 28.9542 61.3818 558681.1052 0.7258 0.8359 PRESSURE: 4437000 52.4127 -134.969 -72.9351 -134.971 -351.176 -123.923 -72.9333 -123.924 159.19 GPRESSURE: 4437000 153.509 -84.5368 -25.7025 -120.149 -286.556 -143.217 -60.5184 -146.721 87.1931 PRESSAVG: 4437000 7.77755 -32.7945 51.7392 -32.7945 9.3615 -90.3076 51.7393 -90.3074 7.15832 GPRESSAVG: 4437000 6.94308 -31.6941 52.8999 -35.378 10.2174 -87.7976 50.9576 -91.3944 7.31203 TIMING: 4437000 CPU: 12844.4, 0.00291311/step Wall: 12844.4, 0.00291311/step, 0.455577 hours remaining, 210.671875 MB of memory in use. ENERGY: 4437000 738.3900 2110.0725 1944.1886 118.3679 -205970.8110 17784.6446 0.0000 0.0000 34052.9049 -149222.2425 297.3925 -183275.1474 -149134.0495 298.6569 -46.5245 -15.2848 558761.9800 8.0991 8.1575 PRESSURE: 4437200 -149.029 -43.3827 -17.9648 -43.3822 -44.3121 29.2419 -17.9654 29.2421 -7.46504 GPRESSURE: 4437200 -103.717 -150.758 -34.4228 2.97446 8.96144 -46.7407 96.7931 82.7313 -6.17563 PRESSAVG: 4437200 -11.7984 -21.7252 50.2272 -21.7253 -14.7755 20.0105 50.2272 20.0105 11.7561 GPRESSAVG: 4437200 -10.6164 -20.8064 48.0753 -20.621 -15.3004 18.7289 53.2435 20.9495 11.0844 TIMING: 4437200 CPU: 12845, 0.00286794/step Wall: 12845, 0.00286794/step, 0.448355 hours remaining, 210.671875 MB of memory in use. ENERGY: 4437200 726.9281 2100.9469 1921.8405 113.9405 -206168.9797 17765.0988 0.0000 0.0000 34327.8393 -149212.3856 299.7936 -183540.2248 -149121.7700 299.0922 -66.9352 -33.6438 558369.2779 -4.9393 -4.9441 PRESSURE: 4437400 -109.327 -51.3469 58.0923 -51.3478 -262.018 -168.669 58.0937 -168.669 -292.331 GPRESSURE: 4437400 -99.4992 -64.7247 20.774 -10.9963 -219.907 -69.0416 115.923 -155.185 -237.987 PRESSAVG: 4437400 -3.83917 -30.2662 -21.364 -30.2662 -64.7589 27.6589 -21.3639 27.6589 72.6064 GPRESSAVG: 4437400 -3.69222 -28.4095 -18.4159 -31.2478 -65.4268 28.5634 -23.6652 27.4846 72.8583 TIMING: 4437400 CPU: 12845.5, 0.00287492/step Wall: 12845.5, 0.00287491/step, 0.449285 hours remaining, 210.671875 MB of memory in use. ENERGY: 4437400 736.8729 2111.6346 1930.4907 98.1761 -205765.6092 17448.7976 0.0000 0.0000 34197.2961 -149242.3410 298.6535 -183439.6371 -149150.8766 299.3156 -221.2256 -185.7978 560077.1184 1.3361 1.2464 PRESSURE: 4437600 -52.6412 -26.5651 -26.7074 -26.5638 277.766 137.428 -26.7071 137.427 369.39 GPRESSURE: 4437600 -8.55759 -35.3119 41.4488 -14.0451 310.676 86.676 -41.4749 143.483 390.601 PRESSAVG: 4437600 -15.6283 -6.1626 -7.22148 -6.16261 8.16704 16.6423 -7.2215 16.6422 30.8918 GPRESSAVG: 4437600 -15.9764 -5.72531 -6.27638 -6.99646 8.28922 18.8649 -7.29943 14.9663 30.7288 TIMING: 4437600 CPU: 12846.1, 0.00291828/step Wall: 12846.1, 0.00291828/step, 0.4559 hours remaining, 210.671875 MB of memory in use. ENERGY: 4437600 756.5267 1995.4923 1924.6682 108.2952 -206770.9985 18294.0254 0.0000 0.0000 34349.1279 -149342.8627 299.9795 -183691.9906 -149249.8316 299.2894 198.1715 230.9065 558333.8677 7.8102 7.6805 PRESSURE: 4437800 96.6859 2.52095 75.6851 2.52056 356.999 80.2272 75.6845 80.2277 -38.1301 GPRESSURE: 4437800 149.28 -97.0812 83.5636 98.1385 388.27 119.311 107.962 36.3544 -26.3948 PRESSAVG: 4437800 17.7504 28.5912 2.46069 28.5913 -7.58791 22.5392 2.46063 22.5391 -25.9098 GPRESSAVG: 4437800 17.3172 27.8174 1.24236 30.0844 -7.25496 20.6452 1.02312 22.0998 -26.4691 TIMING: 4437800 CPU: 12846.7, 0.00287427/step Wall: 12846.7, 0.00287427/step, 0.448865 hours remaining, 210.671875 MB of memory in use. ENERGY: 4437800 720.5925 2050.0483 1953.5474 116.3871 -206062.0154 17897.0134 0.0000 0.0000 34039.2692 -149285.1574 297.2734 -183324.4266 -149188.0730 298.3507 138.5183 170.3850 557573.3479 -5.2491 -5.4690 PRESSURE: 4438000 -78.3669 166.996 -72.1593 166.997 -64.2333 65.3847 -72.1586 65.384 -160.655 GPRESSURE: 4438000 -37.0297 52.084 -3.93385 245.615 -87.3628 104.11 -100.997 -18.9162 -77.3433 PRESSAVG: 4438000 -43.6898 16.2908 33.9417 16.2908 9.46816 -17.9753 33.9416 -17.9753 34.9493 GPRESSAVG: 4438000 -43.2955 15.0377 33.0283 17.589 8.59174 -19.4959 36.3998 -16.2205 35.2977 TIMING: 4438000 CPU: 12847.3, 0.00287468/step Wall: 12847.3, 0.00287468/step, 0.44877 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4438000 744.0385 1989.7835 1983.7355 112.4078 -205754.5314 17706.1744 0.0000 0.0000 34179.1167 -149039.2749 298.4947 -183218.3917 -148940.0839 298.6670 -101.0849 -67.2453 558613.9220 0.2426 0.1980 PRESSURE: 4438200 95.5082 -9.60556 47.5972 -9.60604 -57.1766 274.648 47.5998 274.649 -72.6032 GPRESSURE: 4438200 195.69 114.895 32.2328 -80.2624 -66.429 192.029 118.414 300.066 -85.5637 PRESSAVG: 4438200 12.6654 -1.93075 -40.9649 -1.93062 -24.0901 20.4942 -40.965 20.4943 31.982 GPRESSAVG: 4438200 12.4833 -1.40883 -38.4987 -2.97393 -23.1115 23.0142 -42.2293 18.8944 31.0916 TIMING: 4438200 CPU: 12847.9, 0.00289768/step Wall: 12847.9, 0.00289768/step, 0.452198 hours remaining, 210.671875 MB of memory in use. ENERGY: 4438200 721.3043 2020.1664 1950.8075 115.7560 -205940.6540 17817.9302 0.0000 0.0000 34275.1508 -149039.5387 299.3334 -183314.6895 -148943.0206 299.1745 -11.4238 14.5657 557447.9430 6.8524 6.8211 PRESSURE: 4438400 -201.592 -108.832 -23.8136 -108.832 -131.842 52.5123 -23.8137 52.5125 95.1562 GPRESSURE: 4438400 -155.253 -106.475 3.00936 -105.294 -133.089 33.1028 7.58879 86.9959 142.441 PRESSAVG: 4438400 -3.40333 -16.5749 -23.5475 -16.575 -40.476 5.75025 -23.5475 5.75031 54.7565 GPRESSAVG: 4438400 -2.57102 -17.5749 -23.8062 -15.623 -41.5833 4.96744 -23.4584 7.43671 55.2081 TIMING: 4438400 CPU: 12848.4, 0.00286569/step Wall: 12848.4, 0.00286569/step, 0.447047 hours remaining, 210.671875 MB of memory in use. ENERGY: 4438400 728.1230 2078.6471 1939.5705 121.6668 -205991.8104 17710.2025 0.0000 0.0000 34197.9201 -149215.6804 298.6589 -183413.6005 -149120.2514 299.2424 -79.4257 -48.6337 557619.4643 3.6257 3.6846 PRESSURE: 4438600 -64.2155 -24.5743 -31.3788 -24.5741 121.869 37.8604 -31.3788 37.8621 -48.4973 GPRESSURE: 4438600 -61.9496 68.7157 24.4618 -84.1981 172.1 -44.5238 -32.3375 20.1425 -5.05179 PRESSAVG: 4438600 -69.4049 27.961 20.2618 27.961 8.47489 37.7608 20.2619 37.7608 37.5788 GPRESSAVG: 4438600 -72.1624 28.2354 19.2333 28.1152 8.87727 37.2932 21.6501 37.8188 39.7535 TIMING: 4438600 CPU: 12849, 0.00289075/step Wall: 12849, 0.00289075/step, 0.450796 hours remaining, 210.671875 MB of memory in use. ENERGY: 4438600 754.3845 2054.4470 1983.9309 122.3909 -206155.3177 17883.9231 0.0000 0.0000 34221.0944 -149135.1468 298.8613 -183356.2412 -149047.9888 299.4265 3.0520 35.0330 557892.3131 -7.7837 -7.8439 PRESSURE: 4438800 11.3517 -66.3996 -110.595 -66.3987 -75.0762 14.5507 -110.595 14.5496 139.948 GPRESSURE: 4438800 28.5921 -92.814 -139.697 -85.2078 -22.6285 6.3487 -97.7869 26.3364 180.651 PRESSAVG: 4438800 -48.9418 33.9675 -14.8839 33.9676 68.5114 -32.8932 -14.884 -32.8933 -28.1879 GPRESSAVG: 4438800 -47.7492 34.9375 -15.5736 35.1249 68.9649 -33.4916 -15.8053 -32.6604 -29.9172 TIMING: 4438800 CPU: 12849.6, 0.00289087/step Wall: 12849.6, 0.00289087/step, 0.450655 hours remaining, 210.671875 MB of memory in use. ENERGY: 4438800 740.6538 2049.3262 1956.4650 111.6665 -206366.3634 18034.6379 0.0000 0.0000 34545.4696 -148928.1444 301.6942 -183473.6140 -148830.5250 300.3466 25.4080 62.2048 558830.6221 -2.8728 -2.9005 PRESSURE: 4439000 0.818414 32.6698 63.6257 32.6697 81.2354 12.0013 63.6259 12.0011 -208.255 GPRESSURE: 4439000 39.0096 25.2279 115.285 32.9291 79.2234 -47.5631 123.179 -63.3899 -160.681 PRESSAVG: 4439000 64.2807 7.80875 33.6532 7.80873 -65.2796 16.7248 33.6532 16.7248 6.56223 GPRESSAVG: 4439000 64.9443 6.3176 34.1035 6.87239 -65.881 18.1504 34.3764 14.3456 6.24881 TIMING: 4439000 CPU: 12850.2, 0.00286856/step Wall: 12850.2, 0.00286856/step, 0.447018 hours remaining, 210.671875 MB of memory in use. ENERGY: 4439000 738.2755 2004.9224 1962.3964 116.6043 -205743.9754 17697.1053 0.0000 0.0000 34304.3480 -148920.3234 299.5884 -183224.6714 -148820.2553 300.3658 -42.0672 -14.1495 558805.2321 1.8544 1.7707 PRESSURE: 4439200 78.9987 -99.1686 -52.9613 -99.169 0.800938 169.972 -52.9623 169.972 30.9953 GPRESSURE: 4439200 77.4627 -53.3074 -108.811 -178.219 94.9535 200.689 -27.3748 73.7262 35.2578 PRESSAVG: 4439200 -4.59363 -6.82893 38.2808 -6.82896 54.4123 -2.21647 38.2808 -2.21652 3.82103 GPRESSAVG: 4439200 -5.20328 -3.99459 39.3766 -7.1551 54.5741 -4.07877 38.9872 -2.15012 4.73589 TIMING: 4439200 CPU: 12850.7, 0.00287931/step Wall: 12850.7, 0.00287931/step, 0.448533 hours remaining, 210.671875 MB of memory in use. ENERGY: 4439200 746.9634 1998.8529 1934.5364 113.4526 -206103.5646 17963.8834 0.0000 0.0000 34256.1454 -149089.7304 299.1674 -183345.8758 -148992.7445 299.9133 36.9317 69.2247 558103.3600 17.8799 18.0356 PRESSURE: 4439400 67.7815 12.1302 3.11712 12.1304 -170.142 22.8787 3.11744 22.8786 -369.859 GPRESSURE: 4439400 83.8874 -8.13916 -36.7501 16.2541 -129.466 -16.4784 -0.936116 46.1847 -326.707 PRESSAVG: 4439400 -7.12326 -41.505 -52.3376 -41.505 14.6808 56.9908 -52.3377 56.9909 -13.8827 GPRESSAVG: 4439400 -5.84643 -43.8247 -52.3155 -40.8348 14.2377 56.7541 -55.1085 59.3185 -14.9061 TIMING: 4439400 CPU: 12851.3, 0.00285998/step Wall: 12851.3, 0.00285998/step, 0.445362 hours remaining, 210.671875 MB of memory in use. ENERGY: 4439400 763.6086 2024.8049 1931.0342 113.6125 -206087.8662 17814.4973 0.0000 0.0000 34289.5014 -149150.8073 299.4587 -183440.3087 -149048.6731 299.5282 -157.4067 -124.0951 558729.6024 -2.1084 -2.1716 PRESSURE: 4439600 -39.9924 35.7988 38.8498 35.7985 -92.4145 39.836 38.8497 39.8383 -158.143 GPRESSURE: 4439600 19.113 50.7517 -39.9892 21.0816 -25.2244 80.8282 21.6156 -74.5555 -188.676 PRESSAVG: 4439600 18.0521 44.4484 -28.6155 44.4483 -8.99337 -29.3227 -28.6155 -29.3226 -28.1302 GPRESSAVG: 4439600 16.9231 45.7996 -30.3611 45.3188 -8.24219 -28.3395 -26.3777 -30.5564 -27.7264 TIMING: 4439600 CPU: 12851.9, 0.00285706/step Wall: 12851.9, 0.00285706/step, 0.444748 hours remaining, 210.671875 MB of memory in use. ENERGY: 4439600 778.1273 2078.8940 1947.2377 105.0134 -206268.0823 17692.3461 0.0000 0.0000 34380.3875 -149286.0762 300.2525 -183666.4637 -149186.7101 299.4862 -96.8498 -64.9293 557385.8896 -6.3572 -6.3485 PRESSURE: 4439800 82.1011 -211.288 -207.341 -211.288 -48.342 182.837 -207.339 182.835 -169.835 GPRESSURE: 4439800 74.8418 -131.143 -129.068 -235.544 9.96595 260.487 -265.784 124.662 -133.556 PRESSAVG: 4439800 -1.96884 -31.9169 -43.1866 -31.917 -21.2006 -3.36919 -43.1866 -3.36927 -6.48579 GPRESSAVG: 4439800 -1.41109 -32.1309 -40.851 -34.6957 -21.9715 -4.25906 -43.5246 -0.81088 -6.00371 TIMING: 4439800 CPU: 12852.5, 0.00291494/step Wall: 12852.5, 0.00291494/step, 0.453598 hours remaining, 210.671875 MB of memory in use. ENERGY: 4439800 758.2620 2063.2860 1936.4190 107.6288 -205925.0869 17738.9209 0.0000 0.0000 34208.1458 -149112.4243 298.7482 -183320.5701 -149012.1684 298.6369 -45.3586 -16.2495 559032.3249 -9.8851 -9.7954 PRESSURE: 4440000 -9.32615 -16.5887 -61.5864 -16.5881 -141.98 -32.0063 -61.5873 -32.008 -77.9209 GPRESSURE: 4440000 37.1378 -11.4249 -31.9184 25.7916 -100.132 -35.4621 22.2632 -13.9277 -74.9574 PRESSAVG: 4440000 83.5264 -56.3581 -68.1416 -56.3582 -20.5978 38.3025 -68.1415 38.3025 -28.0861 GPRESSAVG: 4440000 83.8157 -58.5549 -69.6987 -53.8539 -20.7858 38.8702 -67.4116 38.1397 -27.5005 TIMING: 4440000 CPU: 12853, 0.00289745/step Wall: 12853, 0.00289745/step, 0.450714 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4440000 718.0571 2048.0947 1939.0506 113.5726 -206095.3034 17793.9201 0.0000 0.0000 34323.4685 -149159.1398 299.7554 -183482.6083 -149050.7371 299.7214 -76.4089 -45.9838 560327.8395 11.6142 11.8431 PRESSURE: 4440200 -146.706 -109.09 -68.9851 -109.09 -474.74 30.4461 -68.9846 30.4461 -83.871 GPRESSURE: 4440200 -147.316 -125.993 -135.97 62.4439 -402.134 26.3473 -62.1215 -2.29401 -45.0296 PRESSAVG: 4440200 41.5156 -52.0754 -14.2164 -52.0752 -30.4378 1.79635 -14.2165 1.79629 12.1223 GPRESSAVG: 4440200 41.7173 -50.4752 -16.0808 -53.2675 -29.4034 1.70315 -14.9777 0.00271063 11.1539 TIMING: 4440200 CPU: 12853.6, 0.00287012/step Wall: 12853.6, 0.00287012/step, 0.446304 hours remaining, 210.671875 MB of memory in use. ENERGY: 4440200 778.6939 2087.6926 1925.4926 118.9027 -205742.1667 17465.9386 0.0000 0.0000 34145.3963 -149220.0499 298.2002 -183365.4461 -149117.4307 299.5879 -235.1055 -198.1598 559368.6659 7.7334 7.8226 LDB: ============= START OF LOAD BALANCING ============== 12857 LDB: ============== END OF LOAD BALANCING =============== 12857 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12857 LDB: ============= START OF LOAD BALANCING ============== 12857.3 LDB: Largest compute 4773 load 0.024496 is 20.8% of average load 0.117976 LDB: Average compute 0.001727 is 1.5% of average load 0.117976 LDB: TIME 12857.3 LOAD: AVG 0.117976 MAX 0.177253 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.562 MB LDB: TIME 12857.3 LOAD: AVG 0.117976 MAX 0.177253 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.766 MB LDB: TIME 12857.3 LOAD: AVG 0.117976 MAX 0.177253 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12857.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12857.3 PRESSURE: 4440400 -42.0907 55.8771 98.8906 55.876 -99.4569 -48.8054 98.8905 -48.8058 230.468 GPRESSURE: 4440400 27.786 81.7908 70.3644 54.4057 -87.4851 9.89484 70.9816 -31.4279 234.122 PRESSAVG: 4440400 -22.3777 16.9113 -35.3448 16.9113 -6.55936 -20.2736 -35.3449 -20.2737 27.4368 GPRESSAVG: 4440400 -22.9831 14.3921 -32.7177 18.456 -6.53698 -20.0407 -36.2698 -20.1076 28.1109 TIMING: 4440400 CPU: 12854.2, 0.00293356/step Wall: 12854.2, 0.00293356/step, 0.456006 hours remaining, 210.355469 MB of memory in use. ENERGY: 4440400 766.2220 2050.0874 1918.4102 108.4395 -206445.7699 18061.0409 0.0000 0.0000 34304.1203 -149237.4496 299.5864 -183541.5699 -149146.1543 299.5290 29.6401 58.1411 556972.8240 -0.5001 -0.4697 PRESSURE: 4440600 16.4934 -100.203 -121.813 -100.204 -60.588 166.226 -121.813 166.225 -86.4433 GPRESSURE: 4440600 8.2735 -77.8744 -162.779 -91.7218 35.0807 119.933 -192.887 167.593 -75.3928 PRESSAVG: 4440600 -3.07214 2.56309 -66.3505 2.56315 -30.5985 -18.2535 -66.3505 -18.2535 25.3617 GPRESSAVG: 4440600 -3.26409 4.34265 -67.0886 -0.0976221 -30.7467 -17.8089 -66.1517 -19.9375 26.0315 TIMING: 4440600 CPU: 12854.8, 0.00287928/step Wall: 12854.8, 0.00287928/step, 0.447408 hours remaining, 210.558594 MB of memory in use. ENERGY: 4440600 728.9959 2068.2311 1907.6449 114.3570 -206569.7267 17941.8928 0.0000 0.0000 34690.4251 -149118.1798 302.9601 -183808.6049 -149016.1696 299.5576 -43.5126 -10.6795 558538.5227 -2.7697 -2.6598 PRESSURE: 4440800 -68.1522 -152.971 -159.253 -152.97 132.739 62.4499 -159.253 62.4477 -56.397 GPRESSURE: 4440800 -20.8326 -90.6341 -117.045 -244.941 193.647 92.1786 -142.932 -35.7131 -80.1692 PRESSAVG: 4440800 -56.0877 -61.9121 -54.1132 -61.912 -13.458 -32.8381 -54.1132 -32.8381 58.5997 GPRESSAVG: 4440800 -55.1069 -61.7372 -54.0388 -62.5362 -12.8188 -32.9929 -53.0059 -30.8973 57.4974 TIMING: 4440800 CPU: 12855.4, 0.00289906/step Wall: 12855.4, 0.00289906/step, 0.450321 hours remaining, 210.558594 MB of memory in use. ENERGY: 4440800 757.4625 2090.4638 1929.2555 118.8090 -206250.7387 17952.3526 0.0000 0.0000 34319.7941 -149082.6013 299.7233 -183402.3954 -148975.6595 299.7882 2.7299 30.8816 558849.2540 -3.6487 -3.4761 PRESSURE: 4441000 249.051 80.8083 -129.915 80.8085 155.148 23.0624 -129.916 23.0616 157.017 GPRESSURE: 4441000 291.244 152.437 -187.585 -48.3508 230.97 90.9174 -13.3879 -59.3143 128.998 PRESSAVG: 4441000 0.0214268 -0.647561 -22.7238 -0.64752 -5.87082 42.6441 -22.7238 42.6443 44.9305 GPRESSAVG: 4441000 -0.253382 -0.333735 -22.3394 -0.272688 -6.73262 43.1784 -22.7262 43.8041 46.0712 TIMING: 4441000 CPU: 12855.9, 0.00287015/step Wall: 12855.9, 0.00287015/step, 0.44567 hours remaining, 210.558594 MB of memory in use. ENERGY: 4441000 783.8697 2100.5376 1972.7434 124.8619 -206685.7536 18345.5730 0.0000 0.0000 34266.8109 -149091.3571 299.2606 -183358.1679 -148993.8734 299.6583 187.0721 217.0703 558035.4702 13.0270 13.0284 PRESSURE: 4441200 -68.5664 -214.451 42.4984 -214.451 -50.6269 172.637 42.4988 172.638 -284.464 GPRESSURE: 4441200 -53.3362 -233.558 112.621 -146.999 -36.819 48.2444 -29.5136 219.789 -219.554 PRESSAVG: 4441200 44.723 -19.5998 -0.631979 -19.5998 -9.01423 21.019 -0.631977 21.0192 -8.0195 GPRESSAVG: 4441200 44.5592 -20.3987 2.03132 -19.9093 -9.60017 19.0458 -4.37808 21.0208 -7.22826 TIMING: 4441200 CPU: 12856.5, 0.00285599/step Wall: 12856.5, 0.00285599/step, 0.443313 hours remaining, 210.558594 MB of memory in use. ENERGY: 4441200 722.1540 2127.2493 1973.9697 114.5511 -205801.6648 17678.6450 0.0000 0.0000 33996.8269 -149188.2687 296.9027 -183185.0956 -149089.3638 299.4512 -134.5523 -103.2363 558337.0507 9.2297 9.2436 PRESSURE: 4441400 -10.0174 -40.2471 -50.8595 -40.2479 -253.196 60.8811 -50.8601 60.8806 -29.0599 GPRESSURE: 4441400 1.68591 -90.4714 -73.4386 -60.7798 -232.482 6.09549 -67.6132 13.8851 33.193 PRESSAVG: 4441400 23.9155 -19.512 1.70105 -19.512 -112.343 -43.8725 1.70097 -43.8726 51.7543 GPRESSAVG: 4441400 24.5387 -20.8497 -2.5121 -16.6651 -111.522 -43.4211 4.37701 -46.2916 50.2455 TIMING: 4441400 CPU: 12857.1, 0.00287862/step Wall: 12857.1, 0.00287862/step, 0.446666 hours remaining, 210.558594 MB of memory in use. ENERGY: 4441400 742.6127 2114.3207 1949.0775 111.0048 -206106.8613 17598.6025 0.0000 0.0000 34250.5735 -149340.6697 299.1188 -183591.2432 -149246.2484 298.4721 -97.4244 -65.8677 557696.4229 -12.2244 -12.2459 PRESSURE: 4441600 -9.91804 -157.532 59.1181 -157.532 -27.159 -38.5735 59.1186 -38.5728 -93.9163 GPRESSURE: 4441600 17.04 -230.562 118.761 -144.853 8.42829 -18.461 8.60293 -35.0156 -48.0948 PRESSAVG: 4441600 -62.721 -30.2694 -45.9029 -30.2696 35.7729 3.0353 -45.903 3.03525 48.0808 GPRESSAVG: 4441600 -62.0657 -28.9904 -43.2418 -31.283 35.1265 3.86018 -47.3376 3.25025 48.6784 TIMING: 4441600 CPU: 12857.7, 0.00287626/step Wall: 12857.7, 0.00287626/step, 0.44614 hours remaining, 210.558594 MB of memory in use. ENERGY: 4441600 727.5584 2047.9301 1987.0476 116.1394 -205866.8218 17586.0202 0.0000 0.0000 34209.2154 -149192.9107 298.7576 -183402.1261 -149092.7165 299.2821 -43.6644 -7.5421 556390.8306 7.0442 7.2464 PRESSURE: 4441800 -314.49 -66.6895 65.1046 -66.6888 -303.545 25.2767 65.1038 25.2761 -168.844 GPRESSURE: 4441800 -265.8 24.9004 10.6644 -104.638 -280.711 -24.3072 29.4206 -39.0713 -139.493 PRESSAVG: 4441800 55.2737 -17.7845 -0.963681 -17.7845 -1.3979 -26.0292 -0.963691 -26.029 -26.4447 GPRESSAVG: 4441800 54.6666 -16.6691 -2.18771 -18.87 -0.770689 -27.0507 -1.14417 -26.8795 -26.9513 TIMING: 4441800 CPU: 12858.2, 0.00286922/step Wall: 12858.2, 0.00286922/step, 0.444889 hours remaining, 210.558594 MB of memory in use. ENERGY: 4441800 741.7298 2104.7356 1941.1022 114.7155 -205956.6297 17387.8939 0.0000 0.0000 34458.8349 -149207.6178 300.9376 -183666.4527 -149111.6066 299.6669 -262.2929 -228.6683 558630.5352 9.1437 8.9815 PRESSURE: 4442000 -254.714 -92.0775 31.835 -92.0764 -18.742 111.626 31.8348 111.628 -117.08 GPRESSURE: 4442000 -144.793 -69.8577 175.796 -86.0342 -54.7921 102.462 -55.8555 72.2558 -99.5431 PRESSAVG: 4442000 -40.4043 -24.2101 10.2171 -24.2101 5.03449 44.556 10.2171 44.5559 21.4834 GPRESSAVG: 4442000 -40.6068 -24.4858 10.0856 -25.776 4.14693 46.0097 12.1525 45.1379 22.2462 TIMING: 4442000 CPU: 12858.8, 0.00287742/step Wall: 12858.8, 0.00287742/step, 0.446 hours remaining, 210.761719 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: 4442000 748.4513 2079.7646 1947.7062 115.6023 -206141.3348 17625.7284 0.0000 0.0000 34340.3384 -149283.7435 299.9027 -183624.0819 -149186.3109 299.5384 -130.1787 -99.7093 557363.4364 -4.6288 -4.7379 PRESSURE: 4442200 -103.405 76.7502 38.24 76.7503 54.1765 42.0739 38.2396 42.0711 -65.2978 GPRESSURE: 4442200 -102.159 68.7698 40.156 -20.014 110.271 100.692 112.736 28.4859 -26.3868 PRESSAVG: 4442200 7.08529 1.51448 20.7978 1.51449 -26.155 11.147 20.7979 11.147 71.6121 GPRESSAVG: 4442200 7.46604 0.100085 21.3983 3.90849 -26.327 10.2017 20.9538 12.7509 70.8256 TIMING: 4442200 CPU: 12859.4, 0.00288186/step Wall: 12859.4, 0.00288186/step, 0.446528 hours remaining, 210.761719 MB of memory in use. ENERGY: 4442200 770.3107 2089.8685 1959.8005 118.9109 -206023.6755 17733.5730 0.0000 0.0000 34202.7314 -149148.4805 298.7010 -183351.2119 -149053.0948 299.7917 -38.1755 -6.0917 558884.7291 17.5141 17.3215 PRESSURE: 4442400 95.7141 -6.11844 66.1068 -6.11792 -174.754 59.0395 66.1068 59.0401 30.4341 GPRESSURE: 4442400 138.836 -5.43395 57.1058 -12.959 -129.176 61.3983 41.2191 57.9008 45.5104 PRESSAVG: 4442400 -17.2031 17.0969 15.6577 17.097 7.66963 -5.46934 15.6577 -5.46931 13.0882 GPRESSAVG: 4442400 -18.2319 17.1372 16.2689 17.3961 7.23833 -4.30691 13.6437 -7.51038 14.4509 TIMING: 4442400 CPU: 12860, 0.00287499/step Wall: 12860, 0.00287499/step, 0.445304 hours remaining, 210.761719 MB of memory in use. ENERGY: 4442400 764.9926 2084.3398 1969.0754 115.1653 -206168.6419 17843.6735 0.0000 0.0000 34367.8083 -149023.5869 300.1426 -183391.3952 -148926.6003 299.4407 -16.2019 18.3902 556849.1042 1.1849 1.1525 PRESSURE: 4442600 -183.59 -84.9665 -127.136 -84.9653 -132.917 -70.2424 -127.136 -70.2421 -282.848 GPRESSURE: 4442600 -163.512 -102.343 -134.568 -88.9288 -79.7328 -117.681 -75.4658 0.160023 -257.711 PRESSAVG: 4442600 25.1627 13.7761 -19.6555 13.7762 -0.210506 63.7071 -19.6555 63.7072 -18.3573 GPRESSAVG: 4442600 25.9543 14.5387 -20.1188 14.5182 0.513972 62.461 -17.318 64.2963 -19.8112 TIMING: 4442600 CPU: 12860.5, 0.00286096/step Wall: 12860.5, 0.00286096/step, 0.442972 hours remaining, 210.761719 MB of memory in use. ENERGY: 4442600 773.7998 2071.1909 1956.2382 111.4148 -206092.3306 17563.6155 0.0000 0.0000 34670.3837 -148945.6876 302.7851 -183616.0714 -148843.7944 300.2524 -199.7850 -166.9851 558133.1509 2.1983 2.2190 PRESSURE: 4442800 -81.3652 86.2882 -72.1165 86.2874 -366 -164.489 -72.1173 -164.489 -301.708 GPRESSURE: 4442800 -66.3951 58.5316 -136.578 81.6793 -321.329 -144.475 -93.1851 -210.43 -258.359 PRESSAVG: 4442800 47.6034 24.9551 -30.3225 24.9551 -20.0923 6.38542 -30.3225 6.38532 -35.2155 GPRESSAVG: 4442800 46.4107 25.0576 -30.162 24.0179 -19.6311 5.9144 -31.5515 7.33013 -34.8331 TIMING: 4442800 CPU: 12861.1, 0.00288421/step Wall: 12861.1, 0.00288421/step, 0.446411 hours remaining, 210.761719 MB of memory in use. ENERGY: 4442800 735.0512 2068.5568 1956.4034 121.9655 -205521.1516 17432.7355 0.0000 0.0000 34098.7929 -149107.6463 297.7932 -183206.4391 -149014.4389 300.5094 -249.6910 -215.3611 558647.5953 -2.5681 -2.6845 PRESSURE: 4443000 10.8915 -136.951 -14.2505 -136.952 8.73047 80.8044 -14.2502 80.8021 -87.7411 GPRESSURE: 4443000 94.5276 -146.235 -11.0143 -100.041 35.464 57.3656 38.8978 67.2843 -95.133 PRESSAVG: 4443000 -42.0052 54.3956 -30.6766 54.3957 -7.78489 15.6629 -30.6765 15.6629 38.1335 GPRESSAVG: 4443000 -41.705 54.2807 -30.9856 53.9855 -8.98739 15.0074 -30.4101 15.4481 38.5584 TIMING: 4443000 CPU: 12861.7, 0.00290065/step Wall: 12861.7, 0.00290065/step, 0.448795 hours remaining, 210.761719 MB of memory in use. ENERGY: 4443000 763.2730 2158.4076 1946.5482 109.3134 -206481.0459 18032.8617 0.0000 0.0000 34251.5665 -149219.0756 299.1274 -183470.6420 -149125.4888 299.7282 -22.7064 11.6195 557637.9073 -3.8855 -4.0447 PRESSURE: 4443200 -219.271 -35.5373 -95.9077 -35.536 9.33725 161.864 -95.907 161.864 -336.159 GPRESSURE: 4443200 -129.803 -142.255 -191.495 8.68969 4.75826 213.796 -86.7271 72.5825 -328.761 PRESSAVG: 4443200 66.7834 -7.98457 -49.1124 -7.98454 -34.9129 17.3598 -49.1124 17.3598 -15.0967 GPRESSAVG: 4443200 66.2678 -8.01544 -51.0608 -9.56419 -34.6263 19.8348 -47.9602 16.8303 -14.5924 TIMING: 4443200 CPU: 12862.3, 0.00288102/step Wall: 12862.3, 0.00288102/step, 0.445598 hours remaining, 210.761719 MB of memory in use. ENERGY: 4443200 727.7911 2092.0181 1942.0915 108.0934 -205749.5660 17503.3531 0.0000 0.0000 34119.6850 -149256.5338 297.9757 -183376.2188 -149159.9142 299.4939 -182.0311 -151.2685 558377.0019 5.5913 5.6831 PRESSURE: 4443400 -59.3493 6.91533 -128.097 6.9148 -458.187 -14.388 -128.096 -14.3871 -54.5917 GPRESSURE: 4443400 -45.046 -30.043 -96.6896 27.7547 -364.585 -33.988 -92.9622 25.8235 -66.5708 PRESSAVG: 4443400 18.6583 -2.16022 -52.1379 -2.16014 -18.437 72.6553 -52.138 72.6552 19.1344 GPRESSAVG: 4443400 20.0029 -2.90932 -53.0241 0.887416 -17.262 72.616 -51.1107 73.1566 17.4306 TIMING: 4443400 CPU: 12862.8, 0.00290009/step Wall: 12862.8, 0.00290009/step, 0.448385 hours remaining, 210.761719 MB of memory in use. ENERGY: 4443400 776.6550 2118.1975 1919.1826 117.3614 -206215.6252 17772.8825 0.0000 0.0000 34241.8318 -149269.5143 299.0424 -183511.3461 -149174.9441 299.1211 -190.7095 -158.7340 558122.6101 6.4519 6.7238 PRESSURE: 4443600 -338.986 26.1801 11.9471 26.1797 -10.7603 -105.317 11.9478 -105.316 -292.543 GPRESSURE: 4443600 -312.231 43.9384 -95.5139 29.9575 43.0393 -121.132 4.74081 -126.072 -272.99 PRESSAVG: 4443600 7.24772 -16.7976 -57.957 -16.7977 -51.6977 20.4444 -57.957 20.4445 68.701 GPRESSAVG: 4443600 5.49013 -13.9222 -56.8913 -22.3246 -51.5568 19.0675 -60.8843 18.8765 70.8584 TIMING: 4443600 CPU: 12863.4, 0.00289535/step Wall: 12863.4, 0.00289535/step, 0.447492 hours remaining, 210.761719 MB of memory in use. ENERGY: 4443600 747.7931 2038.3159 1966.1305 105.9037 -206253.8322 17687.3706 0.0000 0.0000 34371.7157 -149336.6026 300.1767 -183708.3183 -149241.1737 299.0694 -214.0966 -180.7274 557231.9152 8.0837 8.2639 PRESSURE: 4443800 -79.0337 -181.894 -94.9502 -181.893 -63.2132 -19.4027 -94.9509 -19.403 -281.597 GPRESSURE: 4443800 3.17442 -258.697 -136.774 -206.743 -34.5973 98.6089 -69.0344 -37.3712 -304.336 PRESSAVG: 4443800 66.915 -0.463124 -8.76467 -0.46312 -17.665 24.427 -8.76456 24.427 -37.055 GPRESSAVG: 4443800 68.5699 -2.20457 -7.28859 0.548135 -18.2045 27.2839 -10.1632 26.0782 -37.7157 TIMING: 4443800 CPU: 12864, 0.00288807/step Wall: 12864, 0.00288807/step, 0.446207 hours remaining, 210.761719 MB of memory in use. ENERGY: 4443800 764.2090 2071.5738 1959.2688 110.8370 -205970.7173 17493.4077 0.0000 0.0000 34210.7158 -149360.7051 298.7707 -183571.4209 -149257.2910 298.7387 -141.2812 -111.9198 557974.2662 4.0650 4.2165 PRESSURE: 4444000 -19.0979 133.42 -24.5789 133.419 -48.2831 -15.6906 -24.5796 -15.6903 -208.614 GPRESSURE: 4444000 31.3523 113.483 92.3572 110.618 -3.88844 -42.2058 -59.0729 -31.715 -203.423 PRESSAVG: 4444000 -7.17479 14.3795 1.80367 14.3795 -8.66681 2.52221 1.80369 2.52204 21.7211 GPRESSAVG: 4444000 -7.9706 13.2108 0.0212072 15.0582 -7.93397 -0.259947 5.20031 2.15215 22.0987 TIMING: 4444000 CPU: 12864.6, 0.00289581/step Wall: 12864.6, 0.00289581/step, 0.447241 hours remaining, 210.761719 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: 4444000 742.4872 2085.3651 1980.0624 104.3080 -206238.1102 17800.6930 0.0000 0.0000 34234.8117 -149290.3828 298.9811 -183525.1945 -149192.2253 298.2638 -91.9983 -58.6529 558616.7232 1.9598 2.0647 PRESSURE: 4444200 -177.608 109.688 -24.9325 109.689 -55.6749 -159.029 -24.9329 -159.026 -62.5868 GPRESSURE: 4444200 -183.51 130.555 26.0587 90.5782 -11.9469 -114.638 -26.7885 -127.227 -7.5551 PRESSAVG: 4444200 -6.57884 -18.6559 -13.0405 -18.656 31.5681 -63.1854 -13.0406 -63.1854 -35.2928 GPRESSAVG: 4444200 -5.03496 -19.3042 -10.2772 -17.0811 31.2477 -62.9725 -14.799 -64.0168 -35.5539 TIMING: 4444200 CPU: 12865.1, 0.00288633/step Wall: 12865.1, 0.00288633/step, 0.445617 hours remaining, 210.761719 MB of memory in use. ENERGY: 4444200 730.9715 2081.7735 1937.4564 111.5305 -206381.1028 17809.0448 0.0000 0.0000 34328.9782 -149381.3479 299.8035 -183710.3261 -149283.2998 299.1659 -98.6233 -67.6706 558364.4398 -3.4345 -3.1137 LDB: ============= START OF LOAD BALANCING ============== 12868.5 LDB: ============== END OF LOAD BALANCING =============== 12868.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12868.5 LDB: ============= START OF LOAD BALANCING ============== 12868.8 LDB: Largest compute 4773 load 0.025746 is 21.8% of average load 0.118002 LDB: Average compute 0.001728 is 1.5% of average load 0.118002 LDB: TIME 12868.8 LOAD: AVG 0.118002 MAX 0.179318 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.582 MB LDB: TIME 12868.8 LOAD: AVG 0.118002 MAX 0.179318 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.582 MB LDB: TIME 12868.8 LOAD: AVG 0.118002 MAX 0.179318 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.582 MB LDB: ============== END OF LOAD BALANCING =============== 12868.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12868.8 PRESSURE: 4444400 54.1363 -165.508 -34.5676 -165.507 -163.681 -52.6983 -34.5692 -52.6973 -41.596 GPRESSURE: 4444400 81.5602 -154.064 -54.7851 -196.467 -126.044 -143.744 -44.6022 10.6447 0.385918 PRESSAVG: 4444400 2.40092 -26.5925 -35.2298 -26.5925 28.9081 -40.3796 -35.2298 -40.3795 -21.4045 GPRESSAVG: 4444400 1.45313 -25.3441 -37.3019 -28.9778 28.6664 -41.872 -34.9114 -39.6865 -20.0499 TIMING: 4444400 CPU: 12865.7, 0.00295645/step Wall: 12865.7, 0.00295645/step, 0.456278 hours remaining, 210.355469 MB of memory in use. ENERGY: 4444400 759.5494 2073.2125 1937.9647 113.0458 -206211.8606 17831.9234 0.0000 0.0000 34175.1364 -149321.0284 298.4600 -183496.1648 -149215.1108 299.3787 -50.3804 -14.6993 556911.8575 3.3015 3.3565 PRESSURE: 4444600 37.04 12.0532 -60.214 12.0543 179.311 110.349 -60.2136 110.35 -25.1661 GPRESSURE: 4444600 87.1985 75.0825 -71.1822 -13.6182 208.742 65.1423 -48.1382 146.813 -19.116 PRESSAVG: 4444600 -0.940532 8.61492 -39.3115 8.61499 -73.0558 0.0832863 -39.3115 0.0832636 28.5212 GPRESSAVG: 4444600 -0.473481 7.01832 -40.2016 10.2888 -72.8933 -1.40971 -37.1701 0.704782 27.5627 TIMING: 4444600 CPU: 12866.3, 0.00287637/step Wall: 12866.3, 0.00287637/step, 0.44376 hours remaining, 210.355469 MB of memory in use. ENERGY: 4444600 741.5810 2095.9537 1920.0511 109.7244 -206532.4816 17961.0466 0.0000 0.0000 34367.7002 -149336.4245 300.1417 -183704.1247 -149240.3105 299.6566 63.7282 92.2747 556635.8070 -15.1584 -15.2680 PRESSURE: 4444800 -194.696 42.9606 17.2792 42.9584 -169.607 83.666 17.2791 83.6646 -78.9063 GPRESSURE: 4444800 -113.747 3.18548 -67.51 2.73157 -153.311 42.1643 56.923 86.3985 -58.3825 PRESSAVG: 4444800 39.826 -34.1274 -12.2912 -34.1275 21.397 49.5148 -12.2912 49.5148 -27.8472 GPRESSAVG: 4444800 39.2312 -33.4975 -9.34589 -32.9453 21.9641 50.8567 -14.7209 51.2127 -27.5888 TIMING: 4444800 CPU: 12866.9, 0.00289018/step Wall: 12866.9, 0.00289018/step, 0.445729 hours remaining, 210.355469 MB of memory in use. ENERGY: 4444800 759.0950 2098.0210 1941.5220 110.8511 -206265.2661 17801.3333 0.0000 0.0000 34312.2242 -149242.2195 299.6572 -183554.4437 -149148.8801 299.2208 -147.7362 -108.4802 559309.6682 11.1253 11.2022 PRESSURE: 4445000 51.2833 147.632 -76.3937 147.633 -123.976 98.9566 -76.3931 98.9557 105.294 GPRESSURE: 4445000 100.952 171.004 -78.4489 89.4122 -61.1194 73.8689 -72.3335 183.536 99.6446 PRESSAVG: 4445000 12.2168 43.2663 24.095 43.2664 -25.5815 42.1534 24.095 42.1534 -27.3818 GPRESSAVG: 4445000 12.5766 42.0085 22.7563 42.1543 -25.8884 41.1196 25.7814 41.9779 -27.5832 TIMING: 4445000 CPU: 12867.5, 0.00286806/step Wall: 12867.5, 0.00286806/step, 0.442159 hours remaining, 210.355469 MB of memory in use. ENERGY: 4445000 746.0154 2047.2235 1925.8311 106.1150 -206433.5503 17930.1797 0.0000 0.0000 34406.1460 -149272.0397 300.4774 -183678.1857 -149174.6698 299.4186 10.8672 46.4924 558595.7794 -13.5822 -13.6317 PRESSURE: 4445200 -52.1349 -44.4845 1.14745 -44.484 -10.8596 -218.267 1.14845 -218.268 -66.1292 GPRESSURE: 4445200 -28.452 -8.25323 43.5587 -142.121 59.112 -84.2037 -14.5355 -232.877 -77.4527 PRESSAVG: 4445200 52.117 27.7341 46.5881 27.7341 -68.5605 24.8279 46.5881 24.828 29.0389 GPRESSAVG: 4445200 51.3774 30.6307 48.0449 25.8687 -67.7799 27.5807 44.0523 22.7237 29.0815 TIMING: 4445200 CPU: 12868, 0.00287617/step Wall: 12868, 0.00287617/step, 0.443249 hours remaining, 210.355469 MB of memory in use. ENERGY: 4445200 725.5360 2084.3360 1927.7298 113.4793 -205942.7887 17752.4686 0.0000 0.0000 34071.2396 -149267.9994 297.5526 -183339.2390 -149172.4850 298.8885 -43.0412 -15.5976 559854.1316 4.1985 4.2264 PRESSURE: 4445400 -202.866 147.817 103.413 147.817 111.574 132.322 103.413 132.323 85.933 GPRESSURE: 4445400 -113.364 131.565 99.6659 152.903 79.2682 38.918 82.4272 129.729 118.343 PRESSAVG: 4445400 -19.5148 -33.613 9.41143 -33.6131 -10.7115 -27.7967 9.41148 -27.7968 19.3476 GPRESSAVG: 4445400 -19.6246 -36.7674 9.68708 -30.9919 -12.5787 -30.8552 7.5623 -28.5006 21.7953 TIMING: 4445400 CPU: 12868.6, 0.00289148/step Wall: 12868.6, 0.00289148/step, 0.445448 hours remaining, 210.355469 MB of memory in use. ENERGY: 4445400 714.1567 2067.9966 1926.8624 113.0791 -206280.4588 17905.4239 0.0000 0.0000 34219.4216 -149333.5185 298.8467 -183552.9401 -149231.3312 298.3993 -1.7865 28.0826 558915.6442 -3.6262 -3.4693 PRESSURE: 4445600 -113.536 40.2455 -6.83461 40.2443 -195.879 61.6356 -6.83412 61.6358 -225.959 GPRESSURE: 4445600 -75.2618 16.666 -8.63697 114.325 -179.342 105.296 -35.8228 26.7611 -190.633 PRESSAVG: 4445600 20.0107 5.35588 -8.47181 5.3559 -28.3802 -4.63217 -8.47176 -4.63218 -6.54494 GPRESSAVG: 4445600 20.5246 7.82903 -10.5813 6.1268 -26.9825 -2.92839 -5.55162 -5.83764 -8.35768 TIMING: 4445600 CPU: 12869.2, 0.00287594/step Wall: 12869.2, 0.00287594/step, 0.442895 hours remaining, 210.355469 MB of memory in use. ENERGY: 4445600 752.9261 2046.7208 1955.7547 121.3293 -205605.3935 17385.0040 0.0000 0.0000 34163.6204 -149180.0383 298.3594 -183343.6587 -149080.6457 298.0248 -178.4583 -148.4121 558862.3313 -4.9715 -4.9386 PRESSURE: 4445800 18.353 93.7311 -41.2316 93.7306 105.216 119.006 -41.2332 119.005 -252.876 GPRESSURE: 4445800 35.9531 103.259 -52.3768 46.88 145.524 65.627 -89.5299 130.73 -214.216 PRESSAVG: 4445800 7.18649 -53.8923 -4.72043 -53.8923 25.8804 41.6243 -4.72041 41.6244 -1.08972 GPRESSAVG: 4445800 6.3725 -53.6965 -4.88904 -54.9831 26.1699 41.8843 -5.71854 42.9153 -0.718626 TIMING: 4445800 CPU: 12869.8, 0.00288155/step Wall: 12869.8, 0.00288155/step, 0.443598 hours remaining, 210.355469 MB of memory in use. ENERGY: 4445800 760.0227 2039.8078 1927.2320 108.3674 -206068.3905 17716.1489 0.0000 0.0000 34217.3347 -149299.4769 298.8285 -183516.8117 -149202.8640 299.1665 -43.1024 -10.9129 556588.1658 10.6591 10.6079 PRESSURE: 4446000 -168.33 139.282 38.2683 139.281 -24.9109 38.5559 38.2689 38.5549 -123.729 GPRESSURE: 4446000 -173.605 174.966 -13.8466 59.0315 65.449 29.7055 120.585 104.709 -105.011 PRESSAVG: 4446000 22.6414 11.7924 -51.3789 11.7923 48.8994 27.3623 -51.3789 27.3623 -91.2378 GPRESSAVG: 4446000 22.8963 10.283 -49.8977 10.2637 48.1419 26.2677 -49.9685 28.9234 -91.7687 TIMING: 4446000 CPU: 12870.3, 0.0028769/step Wall: 12870.3, 0.0028769/step, 0.442723 hours remaining, 210.355469 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: 4446000 758.5810 2036.0800 1938.9237 122.9753 -205647.1069 17454.8584 0.0000 0.0000 34275.9881 -149059.7004 299.3407 -183335.6885 -148958.5086 299.5624 -105.6566 -71.0556 558374.7100 -6.5657 -6.9102 PRESSURE: 4446200 259.765 -155.482 -144.5 -155.483 170.384 -66.4411 -144.5 -66.4402 211.48 GPRESSURE: 4446200 339.885 -175.264 -195.759 -123.548 154.968 -104.826 -128.625 -38.7281 244.889 PRESSAVG: 4446200 -3.4681 -0.520734 -53.766 -0.52069 26.6434 17.1821 -53.7661 17.1821 -3.63789 GPRESSAVG: 4446200 -4.08742 -0.0938139 -54.9397 2.51566 25.7357 18.3284 -54.8327 16.2972 -1.95562 TIMING: 4446200 CPU: 12870.9, 0.00288809/step Wall: 12870.9, 0.00288809/step, 0.444285 hours remaining, 210.355469 MB of memory in use. ENERGY: 4446200 695.7545 2000.2253 1969.5638 111.7206 -205846.3643 17846.8713 0.0000 0.0000 34269.3746 -148952.8542 299.2830 -183222.2288 -148861.0841 299.9647 213.8763 246.5806 556549.1255 6.5125 6.5642 PRESSURE: 4446400 174.219 141.878 177.749 141.88 -103.403 105.561 177.75 105.561 186.07 GPRESSURE: 4446400 177.514 130.762 137.009 93.1441 -39.1925 70.631 163.833 137.011 219.393 PRESSAVG: 4446400 -18.2937 30.1625 -18.6974 30.1627 -27.3967 0.492151 -18.6975 0.492147 -15.537 GPRESSAVG: 4446400 -18.0443 29.958 -19.3998 27.6397 -27.0804 -0.871419 -17.543 1.8117 -16.2156 TIMING: 4446400 CPU: 12871.5, 0.00288587/step Wall: 12871.5, 0.00288587/step, 0.443783 hours remaining, 210.355469 MB of memory in use. ENERGY: 4446400 687.7593 2044.6672 1972.0831 122.5673 -206142.2331 17756.2697 0.0000 0.0000 34474.9693 -149083.9172 301.0785 -183558.8865 -148988.8978 300.1006 85.6289 119.2381 558091.3134 -20.4091 -20.4468 PRESSURE: 4446600 -168.203 -158.027 -36.5662 -158.028 107.21 -72.8898 -36.5667 -72.8884 -103.298 GPRESSURE: 4446600 -141.999 -142.36 -0.276097 -51.5823 109.846 -110.9 -52.0801 -105.176 -30.9244 PRESSAVG: 4446600 -2.14122 -17.3679 56.7074 -17.3679 -13.6661 -58.0623 56.7075 -58.0623 13.5309 GPRESSAVG: 4446600 -1.95625 -17.1333 57.9597 -14.16 -13.0468 -56.6761 53.9713 -60.2543 12.4253 TIMING: 4446600 CPU: 12872.1, 0.00287591/step Wall: 12872.1, 0.00287591/step, 0.442092 hours remaining, 210.355469 MB of memory in use. ENERGY: 4446600 745.0428 2141.1989 1971.2330 105.0196 -205717.8685 17487.7741 0.0000 0.0000 34139.9445 -149127.6555 298.1526 -183267.6000 -149029.3033 299.3377 -54.7636 -21.0260 556649.6102 -0.7588 -0.8593 PRESSURE: 4446800 139.787 185.95 57.3321 185.95 108.898 -48.9769 57.333 -48.9765 62.4123 GPRESSURE: 4446800 174.08 234.941 46.5222 94.1874 219.002 -86.7965 143.299 32.9975 20.2746 PRESSAVG: 4446800 16.5585 -4.18128 53.4049 -4.18138 8.6243 -47.5942 53.405 -47.5942 6.7357 GPRESSAVG: 4446800 16.3452 -4.18846 52.9243 -6.72118 7.95043 -48.263 56.0131 -45.3181 7.02065 TIMING: 4446800 CPU: 12872.7, 0.00288603/step Wall: 12872.7, 0.00288603/step, 0.443487 hours remaining, 210.355469 MB of memory in use. ENERGY: 4446800 733.6084 2068.4735 1950.2806 110.4468 -206055.5546 17884.4727 0.0000 0.0000 34185.2171 -149123.0557 298.5480 -183308.2728 -149026.7530 299.7812 103.6994 137.7855 558370.9725 10.6395 10.4387 PRESSURE: 4447000 -229.003 -53.5877 30.5354 -53.5897 278.936 60.5801 30.5358 60.5804 -15.4111 GPRESSURE: 4447000 -185.976 -60.7173 18.3372 -27.5307 279.16 60.9784 75.387 -11.3524 30.2645 PRESSAVG: 4447000 -16.3981 29.5476 -7.63799 29.5475 51.3192 -6.94292 -7.63799 -6.94293 33.8317 GPRESSAVG: 4447000 -17.1462 28.8161 -6.72769 31.7418 51.1455 -6.29942 -8.64355 -9.88103 33.8041 TIMING: 4447000 CPU: 12873.2, 0.00287441/step Wall: 12873.2, 0.00287441/step, 0.441542 hours remaining, 210.355469 MB of memory in use. ENERGY: 4447000 737.8249 2050.3607 1951.1248 99.0079 -206050.5841 17751.7728 0.0000 0.0000 34302.8197 -149157.6734 299.5751 -183460.4931 -149051.4488 299.6790 11.5075 41.1496 557827.7966 22.9176 22.6011 PRESSURE: 4447200 -110.609 -62.2759 220.441 -62.2757 370.543 -39.9199 220.441 -39.9205 382.865 GPRESSURE: 4447200 -59.6425 -107.987 196.014 -54.3171 411.651 -135.389 251.562 0.662687 389.415 PRESSAVG: 4447200 -17.3893 -18.0952 44.5402 -18.0951 -10.2989 -45.7075 44.5402 -45.7074 23.4124 GPRESSAVG: 4447200 -17.8792 -16.7939 45.262 -17.9099 -10.5744 -47.0867 42.9628 -45.1733 24.4075 TIMING: 4447200 CPU: 12873.8, 0.00287725/step Wall: 12873.8, 0.00287725/step, 0.441818 hours remaining, 210.355469 MB of memory in use. ENERGY: 4447200 767.1898 2063.0690 1928.5862 105.5027 -206491.3326 18184.9871 0.0000 0.0000 34218.4478 -149223.5500 298.8382 -183441.9978 -149134.6408 298.7503 214.2664 247.1413 555728.8061 -1.4253 -1.3487 PRESSURE: 4447400 -8.53162 54.4422 -49.9983 54.4425 -150.541 86.9989 -49.9985 87.0023 -23.181 GPRESSURE: 4447400 45.1123 46.318 -79.2332 91.5007 -153.709 136.572 33.3521 89.863 31.0974 PRESSAVG: 4447400 -48.6684 49.1445 81.8271 49.1444 28.7772 9.13112 81.8272 9.13111 12.3231 GPRESSAVG: 4447400 -47.9314 48.0978 82.3221 48.6459 28.2223 9.66524 82.4986 10.4658 12.2001 TIMING: 4447400 CPU: 12874.4, 0.00286485/step Wall: 12874.4, 0.00286485/step, 0.439755 hours remaining, 210.355469 MB of memory in use. ENERGY: 4447400 733.4718 2093.8517 1961.2877 113.3670 -205971.7150 17810.2270 0.0000 0.0000 34196.4998 -149063.0102 298.6465 -183259.5099 -148970.5913 299.3952 -60.7513 -25.8332 556909.8149 -2.5227 -2.5030 PRESSURE: 4447600 96.6858 17.0183 85.0104 17.0176 200.838 18.2418 85.0111 18.2424 227.31 GPRESSURE: 4447600 184.123 -34.3849 -25.7761 38.9562 223.425 -36.5592 127.975 62.6112 221.985 PRESSAVG: 4447600 -14.4419 -4.30325 74.0227 -4.30335 38.5958 6.45937 74.0226 6.45922 10.8324 GPRESSAVG: 4447600 -15.1645 -3.79605 71.5307 -4.68363 39.0171 6.09701 74.7112 5.41186 10.9184 TIMING: 4447600 CPU: 12875, 0.00286044/step Wall: 12875, 0.00286044/step, 0.438919 hours remaining, 210.355469 MB of memory in use. ENERGY: 4447600 734.4325 2024.7511 1968.4337 101.2404 -206135.9352 17937.1693 0.0000 0.0000 34198.9632 -149170.9449 298.6681 -183369.9082 -149074.0406 298.7875 174.9447 209.8446 556949.5359 11.6621 11.5903 PRESSURE: 4447800 -76.4931 12.739 33.8795 12.7385 188.064 -172.734 33.8808 -172.734 -213.828 GPRESSURE: 4447800 -85.3449 21.523 117.573 51.0925 180.284 -232.033 -0.0761212 -160.657 -104.46 PRESSAVG: 4447800 21.2312 58.1497 77.1227 58.1497 51.0621 -49.9905 77.1227 -49.9905 -54.4079 GPRESSAVG: 4447800 21.9501 59.5752 77.0437 58.981 49.6488 -49.4417 78.1205 -49.1978 -54.3954 TIMING: 4447800 CPU: 12875.5, 0.00286079/step Wall: 12875.5, 0.00286079/step, 0.438813 hours remaining, 210.355469 MB of memory in use. ENERGY: 4447800 744.3872 2057.9440 1929.3036 121.4473 -206065.1434 17678.8702 0.0000 0.0000 34376.9747 -149156.2164 300.2227 -183533.1910 -149061.6051 299.3415 -34.0857 -3.1736 555939.5464 5.9618 5.7345 PRESSURE: 4448000 -22.8297 -25.9925 -75.9198 -25.9926 -143.958 -49.5633 -75.9189 -49.5616 -153.591 GPRESSURE: 4448000 71.0915 -73.7069 -96.7747 -5.55367 -141.809 18.8243 -97.078 -57.0683 -151.656 PRESSAVG: 4448000 -21.552 -44.2338 40.819 -44.2338 -12.4844 142.441 40.819 142.441 -8.7938 GPRESSAVG: 4448000 -23.0462 -45.4698 42.7131 -43.909 -11.6664 143.998 38.7961 140.976 -7.90329 TIMING: 4448000 CPU: 12876.1, 0.00288681/step Wall: 12876.1, 0.00288681/step, 0.442644 hours remaining, 210.355469 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: 4448000 724.0780 2121.3607 1955.5385 114.4250 -205818.3324 17562.2352 0.0000 0.0000 34229.9496 -149110.7455 298.9387 -183340.6951 -149015.0632 298.7352 -106.7928 -74.1245 557360.8257 -14.2767 -14.2053 PRESSURE: 4448200 -247.32 51.0845 -168.273 51.0839 -30.6672 133.817 -168.273 133.816 -90.8819 GPRESSURE: 4448200 -197.366 153.591 -121.454 1.69049 4.5102 142.065 -88.6855 173.132 -75.794 PRESSAVG: 4448200 45.4784 8.66804 -18.9775 8.66809 -21.6115 38.541 -18.9775 38.5411 -64.9312 GPRESSAVG: 4448200 44.8119 7.06585 -18.1972 8.36645 -20.69 36.7571 -19.4854 38.7715 -65.3569 TIMING: 4448200 CPU: 12876.7, 0.00287121/step Wall: 12876.7, 0.00287121/step, 0.440092 hours remaining, 210.355469 MB of memory in use. ENERGY: 4448200 765.5400 2026.2433 1963.7322 111.8730 -205973.0338 17524.7075 0.0000 0.0000 34605.6952 -148975.2427 302.2201 -183580.9379 -148880.5222 299.4347 -122.9565 -89.5499 558064.5510 -13.6881 -13.7450 LDB: ============= START OF LOAD BALANCING ============== 12880.1 LDB: ============== END OF LOAD BALANCING =============== 12880.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12880.1 LDB: ============= START OF LOAD BALANCING ============== 12880.3 LDB: Largest compute 4773 load 0.024864 is 21.1% of average load 0.118066 LDB: Average compute 0.001729 is 1.5% of average load 0.118066 LDB: TIME 12880.3 LOAD: AVG 0.118066 MAX 0.177607 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.406 MB LDB: TIME 12880.3 LOAD: AVG 0.118066 MAX 0.177607 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.477 MB LDB: TIME 12880.3 LOAD: AVG 0.118066 MAX 0.177607 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12880.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12880.4 PRESSURE: 4448400 -249.502 6.81562 109.111 6.8162 215.088 -48.9124 109.111 -48.9125 -47.3971 GPRESSURE: 4448400 -178.448 55.0897 91.2097 -34.5421 272.909 32.8111 78.8286 -85.2965 -74.7643 PRESSAVG: 4448400 -18.302 24.342 25.8889 24.342 59.3896 -45.938 25.8888 -45.938 -8.95797 GPRESSAVG: 4448400 -17.8788 25.7279 23.4895 25.0567 58.1673 -47.9115 27.1872 -46.5368 -7.91162 TIMING: 4448400 CPU: 12877.3, 0.00291043/step Wall: 12877.3, 0.00291043/step, 0.445943 hours remaining, 210.152344 MB of memory in use. ENERGY: 4448400 756.1844 2094.0063 1950.8878 109.5797 -205846.0621 17679.2278 0.0000 0.0000 34203.4394 -149052.7367 298.7071 -183256.1761 -148953.0827 300.0736 -27.2703 6.5655 558194.4311 10.7099 10.7923 PRESSURE: 4448600 1.29246 -5.09973 2.29078 -5.09944 154.758 -32.9147 2.29009 -32.9163 -49.6985 GPRESSURE: 4448600 4.85393 45.7953 -66.4954 -47.561 209.788 41.7611 90.3238 -37.0825 -20.0745 PRESSAVG: 4448600 7.47538 1.75631 -28.7566 1.75626 15.904 19.8544 -28.7566 19.8543 -45.9969 GPRESSAVG: 4448600 8.09561 2.57632 -29.026 0.798923 15.9917 19.8964 -29.1003 20.6322 -46.5569 TIMING: 4448600 CPU: 12877.8, 0.00285791/step Wall: 12877.8, 0.00285791/step, 0.437736 hours remaining, 210.351562 MB of memory in use. ENERGY: 4448600 740.2984 2107.1517 1963.2904 100.3753 -206341.2920 17891.3122 0.0000 0.0000 34403.8765 -149134.9875 300.4576 -183538.8640 -149038.4580 299.6558 35.4506 64.8560 557133.2512 -7.5392 -7.4899 PRESSURE: 4448800 168.654 77.6759 -69.3979 77.6762 -38.5274 -80.5412 -69.3979 -80.5409 117.875 GPRESSURE: 4448800 138.064 133.14 -81.2103 -16.3447 13.7391 -82.7034 -26.4576 -66.4143 182.61 PRESSAVG: 4448800 -8.53224 -22.6262 -72.1423 -22.6262 -37.5586 -14.0031 -72.1422 -14.0032 48.5295 GPRESSAVG: 4448800 -9.3284 -22.4276 -73.4087 -24.3099 -36.2747 -15.2485 -70.0662 -14.2367 48.4827 TIMING: 4448800 CPU: 12878.4, 0.0028716/step Wall: 12878.4, 0.0028716/step, 0.439675 hours remaining, 210.351562 MB of memory in use. ENERGY: 4448800 737.1468 2051.6203 1975.3360 112.0602 -206567.5548 18138.1314 0.0000 0.0000 34405.8127 -149147.4474 300.4745 -183553.2602 -149053.8632 299.4073 82.6673 111.4709 559304.8284 0.8129 0.9599 PRESSURE: 4449000 121.043 220.983 -83.8912 220.983 -24.3944 98.8013 -83.8914 98.8015 119.884 GPRESSURE: 4449000 133.19 171.291 -95.8394 283.753 20.8025 65.25 -39.3161 51.954 169.702 PRESSAVG: 4449000 -0.212781 -33.4496 -8.79053 -33.4496 -34.6827 2.15528 -8.79049 2.15519 18.2198 GPRESSAVG: 4449000 0.468114 -33.751 -8.18552 -32.8095 -35.1871 3.31497 -9.00224 1.01047 18.0484 TIMING: 4449000 CPU: 12879, 0.00287123/step Wall: 12879, 0.00287123/step, 0.439458 hours remaining, 210.351562 MB of memory in use. ENERGY: 4449000 768.3713 2117.3338 1979.4702 109.6996 -206837.8210 18229.4327 0.0000 0.0000 34377.9853 -149255.5281 300.2315 -183633.5134 -149164.5542 299.6791 72.1777 107.8982 558742.0672 -5.5586 -5.5569 PRESSURE: 4449200 138.429 96.1142 128.388 96.1136 -67.6277 -81.0333 128.389 -81.0331 24.0847 GPRESSURE: 4449200 147.71 54.9805 119.7 111.279 -12.0004 -44.1962 98.0338 25.5655 62.586 PRESSAVG: 4449200 24.8482 -5.7767 10.0822 -5.77666 -35.9201 15.2686 10.0822 15.2687 16.3265 GPRESSAVG: 4449200 24.1991 -8.1975 11.8805 -2.90288 -36.0141 14.7848 8.52944 16.1031 16.7275 TIMING: 4449200 CPU: 12879.5, 0.00286312/step Wall: 12879.5, 0.00286312/step, 0.438058 hours remaining, 210.351562 MB of memory in use. ENERGY: 4449200 776.2701 2102.4078 1980.0163 107.7634 -206334.2953 17978.4756 0.0000 0.0000 34252.8233 -149136.5389 299.1384 -183389.3622 -149037.3504 299.1405 31.6287 66.0984 558678.5911 1.7515 1.6375 PRESSURE: 4449400 -86.7469 30.4456 93.1463 30.4447 396.703 3.27843 93.1456 3.27852 124.671 GPRESSURE: 4449400 -31.4915 -16.213 53.2311 -43.5802 388.58 7.5644 177.494 4.44092 172.712 PRESSAVG: 4449400 -41.2883 13.6968 -24.5202 13.6967 -5.6205 -25.2512 -24.5201 -25.2512 53.1662 GPRESSAVG: 4449400 -39.8682 16.7186 -23.8938 10.5883 -5.70872 -23.8158 -24.6982 -26.7322 51.7035 TIMING: 4449400 CPU: 12880.1, 0.00289612/step Wall: 12880.1, 0.00289612/step, 0.442946 hours remaining, 210.351562 MB of memory in use. ENERGY: 4449400 726.0760 2119.7030 1937.9457 117.7719 -206435.2414 18010.6536 0.0000 0.0000 34286.9739 -149236.1173 299.4367 -183523.0912 -149141.7873 298.7964 144.8757 176.6002 557291.4154 2.0858 2.0422 PRESSURE: 4449600 16.6002 7.03424 3.00541 7.03515 11.9697 -178.47 3.00531 -178.47 207.402 GPRESSURE: 4449600 26.323 -91.8983 51.7133 102.136 79.5562 -175.296 16.5799 -154.868 227.411 PRESSAVG: 4449600 -49.5103 16.9867 -10.2583 16.9868 49.9695 5.78054 -10.2583 5.78048 -2.03899 GPRESSAVG: 4449600 -51.3007 15.1979 -9.76628 19.1481 50.2316 6.32445 -11.0757 7.23246 -0.432383 TIMING: 4449600 CPU: 12880.7, 0.0028999/step Wall: 12880.7, 0.0028999/step, 0.443362 hours remaining, 210.351562 MB of memory in use. ENERGY: 4449600 777.4314 2064.8525 1952.5553 119.2588 -206359.6854 17999.7919 0.0000 0.0000 34239.8839 -149205.9115 299.0254 -183445.7955 -149106.9707 299.4854 78.6572 111.0967 557454.8667 -0.5266 -0.5005 PRESSURE: 4449800 -33.9796 15.5284 106.115 15.5283 -69.5831 -20.8376 106.117 -20.8379 -102.635 GPRESSURE: 4449800 -8.93473 95.2841 130.202 25.3417 -4.50806 -110.566 108.075 68.7854 -82.6894 PRESSAVG: 4449800 -24.2864 -5.37096 -51.8406 -5.37102 3.34633 28.7203 -51.8406 28.7204 1.52668 GPRESSAVG: 4449800 -23.2171 -5.8549 -52.7703 -7.25295 2.69832 27.6818 -51.4247 31.428 1.13954 TIMING: 4449800 CPU: 12881.3, 0.00287234/step Wall: 12881.3, 0.00287234/step, 0.43899 hours remaining, 210.351562 MB of memory in use. ENERGY: 4449800 715.0764 2050.1279 1928.5402 111.7927 -205993.7298 17746.7340 0.0000 0.0000 34298.6594 -149142.7992 299.5387 -183441.4586 -149044.4780 298.9367 -68.7324 -32.0441 558858.3263 -6.4711 -6.4597 PRESSURE: 4450000 67.5367 -159.236 -139.846 -159.236 -49.134 115.674 -139.846 115.674 -217.935 GPRESSURE: 4450000 98.3364 -102.319 -183.984 -161.285 -35.1901 27.6045 -125.363 161.744 -166.911 PRESSAVG: 4450000 -27.4372 -75.6275 -41.9676 -75.6275 3.31211 -43.7279 -41.9675 -43.7277 -8.87695 GPRESSAVG: 4450000 -27.6992 -75.0504 -41.8759 -74.8261 2.4103 -43.3239 -39.9465 -45.7888 -8.11958 TIMING: 4450000 CPU: 12881.9, 0.00286838/step Wall: 12881.9, 0.00286838/step, 0.438225 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4450000 731.2255 2021.5765 1959.9325 107.4632 -206074.4077 17800.4747 0.0000 0.0000 34266.1924 -149187.5428 299.2552 -183453.7352 -149089.1496 299.6645 -66.5107 -34.5883 558213.1735 -11.0007 -11.1362 PRESSURE: 4450200 -261.75 83.4867 60.5164 83.4854 191.948 -10.5636 60.5162 -10.5634 167.865 GPRESSURE: 4450200 -224.073 107.836 32.3176 12.7033 237.498 -0.0967911 6.49695 -13.1033 187.352 PRESSAVG: 4450200 -39.4162 11.6686 14.6655 11.6687 14.2486 31.2087 14.6655 31.2087 43.7792 GPRESSAVG: 4450200 -39.1013 10.6663 13.2906 11.3055 14.0381 32.8044 12.763 29.3379 43.8019 TIMING: 4450200 CPU: 12882.4, 0.0028734/step Wall: 12882.4, 0.0028734/step, 0.438831 hours remaining, 210.351562 MB of memory in use. ENERGY: 4450200 776.5926 2072.7614 1969.0064 113.6335 -206383.5583 17881.8935 0.0000 0.0000 34335.1260 -149234.5450 299.8572 -183569.6710 -149141.6157 298.9585 32.6878 66.9256 558285.8086 6.2038 6.2462 PRESSURE: 4450400 50.1528 -114.236 -166.156 -114.234 -145.143 96.2691 -166.156 96.2693 95.35 GPRESSURE: 4450400 95.1725 -148.78 -143.418 -66.774 -114.294 122.017 -115.111 68.4771 122.23 PRESSAVG: 4450400 -58.7335 -73.0028 25.3637 -73.0028 60.3813 45.6633 25.3636 45.6633 46.8946 GPRESSAVG: 4450400 -58.6948 -71.3745 26.5885 -73.4968 62.095 45.6322 24.5128 46.278 45.5156 TIMING: 4450400 CPU: 12883, 0.00287603/step Wall: 12883, 0.00287603/step, 0.439074 hours remaining, 210.351562 MB of memory in use. ENERGY: 4450400 757.7367 2106.4882 1956.9710 110.4913 -206650.2016 17961.2024 0.0000 0.0000 34275.8024 -149481.5097 299.3391 -183757.3120 -149377.5602 299.0655 0.1201 34.3694 557305.4528 16.1808 16.3053 PRESSURE: 4450600 -355.498 -68.4605 146.04 -68.4598 29.5894 84.6776 146.039 84.6771 -187.878 GPRESSURE: 4450600 -294.028 -136.058 238.261 -23.1276 19.9965 60.6696 193.831 95.3869 -139.039 PRESSAVG: 4450600 -72.1526 -53.0674 29.3799 -53.0674 48.5428 29.9493 29.3799 29.9493 35.9869 GPRESSAVG: 4450600 -72.3694 -53.0021 27.9861 -52.176 47.8948 29.251 30.7424 30.4893 37.8623 TIMING: 4450600 CPU: 12883.6, 0.00288433/step Wall: 12883.6, 0.00288433/step, 0.44018 hours remaining, 210.351562 MB of memory in use. ENERGY: 4450600 709.4984 2129.3970 1956.9729 108.5410 -206369.4132 17638.1741 0.0000 0.0000 34132.7300 -149694.0999 298.0896 -183826.8298 -149595.4266 298.4201 -171.2623 -137.6904 558257.2864 4.1257 4.4626 PRESSURE: 4450800 -337.195 8.19725 87.7112 8.19622 160.322 62.3694 87.7104 62.3696 -115.106 GPRESSURE: 4450800 -332.136 65.8522 62.8149 24.7085 177.112 113.227 67.3082 62.9531 -43.0611 PRESSAVG: 4450800 -64.3161 38.9748 -7.41654 38.9748 44.0387 11.9694 -7.41656 11.9694 72.3139 GPRESSAVG: 4450800 -63.5925 36.0174 -7.02565 39.5754 42.4134 11.8431 -9.60832 10.715 72.7375 TIMING: 4450800 CPU: 12884.2, 0.00286891/step Wall: 12884.2, 0.00286891/step, 0.437668 hours remaining, 210.351562 MB of memory in use. ENERGY: 4450800 763.0577 2137.9603 1940.1933 122.7553 -206557.5150 17944.5207 0.0000 0.0000 34083.1551 -149565.8726 297.6567 -183649.0277 -149467.6732 298.8390 -97.3265 -66.0285 558448.4293 17.3455 17.1862 PRESSURE: 4451000 19.4499 -33.8801 -6.65274 -33.8791 -193.155 -100.268 -6.65237 -100.269 18.7005 GPRESSURE: 4451000 59.949 -34.6764 -22.3073 0.0948347 -165.568 -64.6328 -55.1799 -62.2101 35.4723 PRESSAVG: 4451000 -44.968 -12.6093 37.591 -12.6093 72.5546 42.4025 37.591 42.4024 23.4675 GPRESSAVG: 4451000 -45.4299 -10.1357 38.911 -13.03 74.6884 41.6668 38.6197 45.042 22.2872 TIMING: 4451000 CPU: 12884.7, 0.00288082/step Wall: 12884.7, 0.00288082/step, 0.439326 hours remaining, 210.351562 MB of memory in use. ENERGY: 4451000 742.5640 2140.1834 1978.7445 110.1337 -206442.0316 17663.8967 0.0000 0.0000 34377.2637 -149429.2456 300.2252 -183806.5093 -149331.7689 298.3389 -51.6684 -23.3824 556302.3018 17.0180 17.1819 PRESSURE: 4451200 -157.255 -131.266 -7.99025 -131.266 70.7018 103.665 -7.99024 103.667 -193.547 GPRESSURE: 4451200 -53.9073 -61.0869 17.1127 -120.361 60.6955 131.648 21.9418 114.867 -163.814 PRESSAVG: 4451200 14.9352 -13.8898 -13.0297 -13.8898 9.99047 24.3528 -13.0298 24.3528 15.671 GPRESSAVG: 4451200 15.5605 -12.5423 -13.2173 -15.9351 8.60634 22.7878 -14.2528 21.3634 16.5983 TIMING: 4451200 CPU: 12885.3, 0.00288028/step Wall: 12885.3, 0.00288028/step, 0.439083 hours remaining, 210.351562 MB of memory in use. ENERGY: 4451200 780.9517 2055.9221 1948.8066 114.7441 -206487.1867 17849.9043 0.0000 0.0000 34257.2144 -149479.6435 299.1768 -183736.8579 -149381.9971 298.8494 -93.3668 -52.3420 556068.2217 13.5322 13.5884 PRESSURE: 4451400 -282.891 34.1693 107.919 34.1685 5.07513 183.183 107.919 183.184 175.02 GPRESSURE: 4451400 -275.527 -35.3791 206.309 40.4934 30.4239 189.222 45.7685 171.712 248.758 PRESSAVG: 4451400 -75.4072 -6.09397 19.87 -6.09394 57.699 29.3087 19.8699 29.3087 -8.16995 GPRESSAVG: 4451400 -74.775 -8.20387 17.4946 -5.27965 57.6996 30.7216 21.3585 30.2832 -8.93361 TIMING: 4451400 CPU: 12885.9, 0.00287946/step Wall: 12885.9, 0.00287946/step, 0.438798 hours remaining, 210.351562 MB of memory in use. ENERGY: 4451400 737.5003 2122.9568 1970.5524 114.9310 -206650.4553 18008.4734 0.0000 0.0000 34290.7925 -149405.2488 299.4700 -183696.0413 -149311.6569 299.0448 -34.2656 1.2184 557985.8058 -8.6261 -8.6697 PRESSURE: 4451600 167.094 105.83 -26.7574 105.83 148.657 -33.1165 -26.7573 -33.118 -29.1291 GPRESSURE: 4451600 176.972 124.124 14.5358 45.8279 168.82 -46.9806 -29.0631 -71.4143 43.5386 PRESSAVG: 4451600 -60.5882 19.0168 55.369 19.0167 21.0012 26.4024 55.3691 26.4024 -19.8394 GPRESSAVG: 4451600 -61.1852 19.3105 56.504 20.5851 21.5295 26.0043 55.4544 26.2729 -19.4902 TIMING: 4451600 CPU: 12886.5, 0.00289166/step Wall: 12886.5, 0.00289166/step, 0.440497 hours remaining, 210.351562 MB of memory in use. ENERGY: 4451600 763.8717 2107.2135 1937.7635 127.5747 -206317.9462 17748.8324 0.0000 0.0000 34261.9714 -149370.7190 299.2183 -183632.6904 -149282.6785 298.8581 95.5406 129.7767 556032.8042 -19.8088 -19.7153 PRESSURE: 4451800 -213.637 101.147 -28.1666 101.147 28.191 -144.544 -28.1667 -144.545 -11.5146 GPRESSURE: 4451800 -153.233 107.934 -72.1775 126.555 40.8175 -29.9908 -93.3558 -182.192 20.3544 PRESSAVG: 4451800 -19.0705 17.8254 45.6538 17.8254 15.6565 24.7155 45.6538 24.7154 20.7945 GPRESSAVG: 4451800 -19.6755 17.7894 45.3068 17.9474 15.6879 26.4834 43.9759 24.6053 21.3019 TIMING: 4451800 CPU: 12887, 0.00287361/step Wall: 12887, 0.00287361/step, 0.437587 hours remaining, 210.351562 MB of memory in use. ENERGY: 4451800 757.2121 2109.4288 1910.9001 110.5663 -205994.3407 17729.6056 0.0000 0.0000 34042.3675 -149334.2602 297.3005 -183376.6277 -149240.8398 299.8069 -65.6535 -30.6869 558153.1230 5.7935 5.7714 PRESSURE: 4452000 206.776 20.7522 55.4623 20.7522 141.166 55.1782 55.4636 55.1786 -134.661 GPRESSURE: 4452000 267.385 2.21708 6.41789 68.0649 163.219 9.62713 -2.98429 51.6902 -123.328 PRESSAVG: 4452000 -8.12174 45.5783 29.971 45.5784 -49.0491 -16.2324 29.9709 -16.2324 -1.82993 GPRESSAVG: 4452000 -7.63794 45.0156 30.1496 46.8206 -48.7601 -15.4706 31.6455 -17.1906 -2.34197 TIMING: 4452000 CPU: 12887.6, 0.0028698/step Wall: 12887.6, 0.0028698/step, 0.436847 hours remaining, 210.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4452000 782.3879 2085.5974 1929.1706 123.3275 -206235.4586 17926.6002 0.0000 0.0000 34151.7952 -149236.5799 298.2561 -183388.3751 -149141.5153 298.6660 71.0938 102.4255 556494.1959 -19.6669 -19.5800 PRESSURE: 4452200 -200.328 -141.329 -8.31709 -141.33 -235.527 159.749 -8.31768 159.747 116.879 GPRESSURE: 4452200 -137.379 -115.52 13.8026 -213.45 -149.186 122.91 -30.8936 183.974 73.49 PRESSAVG: 4452200 -49.795 30.6518 42.1286 30.6518 28.6967 -11.2241 42.1285 -11.2243 32.0627 GPRESSAVG: 4452200 -50.0986 31.2128 43.5658 28.9598 27.9481 -11.9274 40.7099 -9.98804 32.8704 TIMING: 4452200 CPU: 12888.2, 0.00290875/step Wall: 12888.2, 0.00290875/step, 0.442614 hours remaining, 210.351562 MB of memory in use. ENERGY: 4452200 767.5931 2084.3765 1952.8646 120.5193 -206093.4020 17778.5595 0.0000 0.0000 34139.8181 -149249.6708 298.1515 -183389.4889 -149150.6161 299.1342 -106.3253 -71.0252 557173.8223 3.6548 3.5733 LDB: ============= START OF LOAD BALANCING ============== 12891.6 LDB: ============== END OF LOAD BALANCING =============== 12891.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12891.6 LDB: ============= START OF LOAD BALANCING ============== 12891.9 LDB: Largest compute 4773 load 0.025838 is 21.9% of average load 0.117994 LDB: Average compute 0.001728 is 1.5% of average load 0.117994 LDB: TIME 12891.9 LOAD: AVG 0.117994 MAX 0.176532 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.414 MB LDB: TIME 12891.9 LOAD: AVG 0.117994 MAX 0.176532 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.414 MB LDB: TIME 12891.9 LOAD: AVG 0.117994 MAX 0.176532 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12891.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12891.9 PRESSURE: 4452400 -211.849 84.8211 77.9831 84.8211 -186.592 193.938 77.9831 193.936 -252.12 GPRESSURE: 4452400 -203.939 64.5836 62.3197 115.763 -125.273 185.919 86.8505 172.187 -238.603 PRESSAVG: 4452400 -59.2908 21.9185 7.34563 21.9185 27.8393 37.7173 7.34557 37.7174 -17.0222 GPRESSAVG: 4452400 -59.1832 23.2045 5.04852 21.3684 27.9851 36.1104 8.13415 38.4815 -17.1904 TIMING: 4452400 CPU: 12888.8, 0.00295736/step Wall: 12888.8, 0.00295736/step, 0.449848 hours remaining, 210.355469 MB of memory in use. ENERGY: 4452400 768.5029 2087.9542 1946.0744 117.6861 -205993.3848 17655.8983 0.0000 0.0000 34182.9922 -149234.2768 298.5286 -183417.2690 -149135.9117 299.4158 -216.8536 -189.2717 557217.4319 -16.1579 -16.1295 PRESSURE: 4452600 112.398 -36.5895 15.3625 -36.5901 202.483 39.8737 15.3634 39.8751 -36.3821 GPRESSURE: 4452600 96.6284 -38.9632 -51.4548 5.17159 265.794 0.171001 39.8544 -15.7182 10.2952 PRESSAVG: 4452600 -13.8862 34.3368 31.133 34.3368 69.2479 -18.0173 31.133 -18.0173 -23.7168 GPRESSAVG: 4452600 -14.9688 34.7014 31.1155 34.2088 70.1399 -15.5814 31.3705 -21.2585 -23.0196 TIMING: 4452600 CPU: 12889.4, 0.00288755/step Wall: 12889.4, 0.00288755/step, 0.439067 hours remaining, 210.355469 MB of memory in use. ENERGY: 4452600 759.0228 2096.4664 1928.4635 117.9370 -206319.1991 17840.0545 0.0000 0.0000 34231.9175 -149345.3374 298.9558 -183577.2549 -149249.3637 299.5988 92.8330 124.2393 554952.3591 10.5483 10.7172 PRESSURE: 4452800 -465.812 -61.5662 39.2808 -61.5674 -160.599 -15.8044 39.2807 -15.8038 81.8384 GPRESSURE: 4452800 -413.628 -37.9254 104.988 -11.283 -145.134 -106.944 -65.4059 -70.7301 108.537 PRESSAVG: 4452800 61.7521 -13.436 -12.17 -13.436 -27.1801 -101.648 -12.1699 -101.648 -43.0191 GPRESSAVG: 4452800 63.3105 -14.4516 -11.2011 -12.1842 -27.1409 -104.856 -12.4992 -99.8255 -44.2577 TIMING: 4452800 CPU: 12889.9, 0.00290749/step Wall: 12889.9, 0.00290749/step, 0.441938 hours remaining, 210.355469 MB of memory in use. ENERGY: 4452800 748.9731 2091.2956 1932.9801 123.0933 -205774.3619 17576.9514 0.0000 0.0000 34222.9546 -149078.1139 298.8776 -183301.0685 -148979.0874 299.1775 -181.5242 -150.0750 556912.6491 -2.8157 -2.6960 PRESSURE: 4453000 -306.857 -196.94 71.4952 -196.941 -150.07 -84.0258 71.4943 -84.0261 5.84686 GPRESSURE: 4453000 -261.791 -216.482 22.0342 -232.174 -127.264 -21.7581 50.8734 -105.74 47.5353 PRESSAVG: 4453000 -24.678 -36.7429 -30.0581 -36.743 32.7749 25.9897 -30.0581 25.9896 -28.9331 GPRESSAVG: 4453000 -25.856 -37.1948 -29.7657 -37.1553 34.452 26.0967 -28.9382 26.952 -29.4754 TIMING: 4453000 CPU: 12890.5, 0.00288761/step Wall: 12890.5, 0.00288761/step, 0.438756 hours remaining, 210.355469 MB of memory in use. ENERGY: 4453000 746.5311 2122.0303 1923.3017 113.2684 -205767.1627 17516.4459 0.0000 0.0000 34145.6879 -149199.8974 298.2028 -183345.5853 -149104.5027 299.5675 -150.3600 -113.8397 557567.9511 -6.9454 -6.9598 PRESSURE: 4453200 99.4907 -86.3771 -97.8846 -86.378 31.5336 79.2051 -97.885 79.2045 110.129 GPRESSURE: 4453200 92.1498 -19.9701 -53.9208 -93.0697 128.398 76.0489 -158.017 15.3126 111.456 PRESSAVG: 4453200 53.7153 -36.4474 2.03907 -36.4474 -14.2715 23.7597 2.03902 23.7597 -49.8712 GPRESSAVG: 4453200 55.1198 -35.2808 2.66468 -38.8854 -15.7782 24.842 0.624141 22.4608 -49.5149 TIMING: 4453200 CPU: 12891.1, 0.00289924/step Wall: 12891.1, 0.00289924/step, 0.440363 hours remaining, 210.355469 MB of memory in use. ENERGY: 4453200 802.6662 2148.7566 1958.3766 105.8340 -206007.6897 17736.3669 0.0000 0.0000 34024.6884 -149231.0012 297.1461 -183255.6895 -149137.7995 299.6369 80.3845 110.6679 555375.1732 -3.4758 -3.3911 PRESSURE: 4453400 -68.7999 18.9482 -200.288 18.9476 -235.579 -83.8336 -200.289 -83.8348 -196.106 GPRESSURE: 4453400 -11.3606 13.0035 -117.32 -2.36212 -171.421 -91.4154 -164.32 -105.745 -209.118 PRESSAVG: 4453400 -5.67949 2.43638 41.5602 2.43641 51.6024 6.24287 41.5601 6.24296 -29.9443 GPRESSAVG: 4453400 -6.351 0.861985 39.2165 5.39763 51.8183 7.22714 42.307 4.84543 -29.2885 TIMING: 4453400 CPU: 12891.7, 0.00288769/step Wall: 12891.7, 0.00288769/step, 0.438447 hours remaining, 210.355469 MB of memory in use. ENERGY: 4453400 738.4246 2115.0833 1955.2033 107.4538 -206091.4185 17672.8311 0.0000 0.0000 34326.1506 -149176.2718 299.7788 -183502.4224 -149081.8156 299.1180 -166.8282 -130.6334 558158.4127 5.3262 5.3929 PRESSURE: 4453600 139.85 52.7248 -97.6474 52.724 80.0135 -75.7885 -97.6468 -75.7897 13.775 GPRESSURE: 4453600 183.56 200.007 -113.252 16.9112 138.635 6.23644 -126.565 -86.9035 8.92983 PRESSAVG: 4453600 -16.3054 2.16389 -6.41047 2.16385 96.9596 23.6707 -6.41048 23.6707 -63.3556 GPRESSAVG: 4453600 -15.5195 3.62259 -4.56172 2.0898 96.8932 23.2038 -5.53351 25.3704 -64.2143 TIMING: 4453600 CPU: 12892.3, 0.00290002/step Wall: 12892.3, 0.00290002/step, 0.440159 hours remaining, 210.355469 MB of memory in use. ENERGY: 4453600 752.3110 2112.9625 1926.8450 119.3242 -206213.1862 17891.5837 0.0000 0.0000 34111.0083 -149299.1514 297.8999 -183410.1597 -149201.0466 299.5936 77.8795 110.3748 557448.2094 5.7662 5.7198 PRESSURE: 4453800 -48.4708 159.236 -37.5761 159.238 184.615 156.857 -37.5755 156.857 -207.968 GPRESSURE: 4453800 -44.9966 131.126 -6.79126 150.02 212.305 93.0425 -31.3723 157.871 -132.989 PRESSAVG: 4453800 -33.8313 18.8182 -20.337 18.8182 57.2741 -76.1434 -20.337 -76.1433 -11.326 GPRESSAVG: 4453800 -33.5022 17.6436 -20.1519 17.6985 56.3899 -77.2906 -19.8002 -76.0843 -11.2924 TIMING: 4453800 CPU: 12892.8, 0.00287796/step Wall: 12892.8, 0.00287796/step, 0.43665 hours remaining, 210.355469 MB of memory in use. ENERGY: 4453800 741.7439 2050.1691 1941.6185 117.3552 -205990.5399 17741.7252 0.0000 0.0000 34341.0348 -149056.8931 299.9088 -183397.9279 -148953.9078 299.9513 -23.9412 11.4397 557560.1728 4.0389 3.8651 PRESSURE: 4454000 -196.799 -141.633 -0.399616 -141.631 139.616 -89.1987 -0.400278 -89.1993 -37.7148 GPRESSURE: 4454000 -176.957 -190.444 -24.1808 -143.606 147.754 -123.365 -58.707 -45.5435 28.2811 PRESSAVG: 4454000 -2.56341 -44.1407 22.4143 -44.1405 10.4299 -5.99283 22.4142 -5.99283 -15.434 GPRESSAVG: 4454000 -4.32345 -45.8531 21.7899 -43.1578 11.8143 -9.56644 20.7686 -4.49804 -15.1618 TIMING: 4454000 CPU: 12893.4, 0.00289476/step Wall: 12893.4, 0.00289476/step, 0.439038 hours remaining, 210.355469 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: 4454000 740.6955 2051.8551 1935.2701 112.0976 -205780.1124 17689.9785 0.0000 0.0000 34377.9896 -148872.2260 300.2315 -183250.2155 -148775.6977 300.0396 -31.6324 -0.3072 558446.1819 -2.5225 -2.5570 PRESSURE: 4454200 -19.1266 -139.518 1.98229 -139.519 -151.287 -0.641294 1.98215 -0.641813 -230.728 GPRESSURE: 4454200 -30.2556 -36.8655 7.42052 -143.434 -86.3949 -32.7122 -23.1261 146.138 -186.138 PRESSAVG: 4454200 -37.7142 -64.3409 -28.2543 -64.3411 44.8998 -33.5673 -28.2543 -33.5673 -43.2816 GPRESSAVG: 4454200 -36.5387 -63.7137 -28.689 -63.1282 44.7908 -29.4141 -26.425 -33.7731 -44.4398 TIMING: 4454200 CPU: 12894, 0.00289769/step Wall: 12894, 0.00289769/step, 0.439322 hours remaining, 210.355469 MB of memory in use. ENERGY: 4454200 758.0729 2058.8831 1948.4627 123.2020 -205547.7554 17589.8029 0.0000 0.0000 34221.7089 -148847.6230 298.8667 -183069.3319 -148751.7944 299.3653 -133.7140 -100.9296 557653.7002 -12.0320 -12.0626 PRESSURE: 4454400 -346.626 2.39093 -56.1706 2.39188 2.17908 125.086 -56.1708 125.088 -171.699 GPRESSURE: 4454400 -256.657 76.5596 -10.1826 -36.478 -9.52405 73.9249 -26.1753 96.1326 -148.255 PRESSAVG: 4454400 18.4073 -56.7201 -19.2602 -56.7201 -16.3396 -21.0773 -19.2602 -21.0772 7.3908 GPRESSAVG: 4454400 17.5673 -56.6227 -17.5611 -56.6246 -15.4747 -21.212 -22.0354 -21.9842 7.5915 TIMING: 4454400 CPU: 12894.6, 0.00287468/step Wall: 12894.6, 0.00287468/step, 0.435674 hours remaining, 210.355469 MB of memory in use. ENERGY: 4454400 728.3247 2130.6698 1946.9632 117.6191 -205758.5595 17450.3993 0.0000 0.0000 34394.5639 -148990.0195 300.3763 -183384.5834 -148892.4555 299.8872 -172.0486 -138.1455 557197.5822 3.1528 3.2280 PRESSURE: 4454600 -263.842 -52.5241 40.1987 -52.5235 -213.974 -96.0327 40.1984 -96.033 147.41 GPRESSURE: 4454600 -195.854 59.9697 101.465 -144.796 -190.293 -93.4044 -3.80112 -127.413 136.048 PRESSAVG: 4454600 -54.5008 -8.45779 -36.3441 -8.45769 23.3594 36.6927 -36.344 36.6926 16.5972 GPRESSAVG: 4454600 -53.699 -8.73175 -38.8318 -9.65921 22.2083 35.4235 -35.3921 36.3816 17.3464 TIMING: 4454600 CPU: 12895.1, 0.00288634/step Wall: 12895.1, 0.00288634/step, 0.43728 hours remaining, 210.355469 MB of memory in use. ENERGY: 4454600 760.0144 2081.8090 1958.0531 125.3413 -206030.4565 17785.0806 0.0000 0.0000 34407.0146 -148913.1435 300.4850 -183320.1582 -148811.6156 299.9030 -110.1353 -83.3662 559629.5294 -4.8481 -4.7147 PRESSURE: 4454800 98.2577 -140.717 -86.4487 -140.718 -210.046 -56.0971 -86.4496 -56.0965 98.9122 GPRESSURE: 4454800 124.639 -78.3535 -93.7325 -196.177 -147.145 -63.0366 -70.4747 -74.6454 113.468 PRESSAVG: 4454800 19.9026 -26.5332 -4.27973 -26.5333 -5.18472 9.81628 -4.27967 9.81632 -6.11175 GPRESSAVG: 4454800 19.7634 -27.4516 -4.54603 -25.3846 -5.19838 10.205 -4.14337 10.3952 -5.70622 TIMING: 4454800 CPU: 12895.7, 0.00287535/step Wall: 12895.7, 0.00287535/step, 0.435456 hours remaining, 210.355469 MB of memory in use. ENERGY: 4454800 755.4861 2099.0184 1948.1040 117.8826 -206296.3315 17858.3800 0.0000 0.0000 34479.7685 -149037.6920 301.1204 -183517.4605 -148938.1268 299.8773 -4.2922 30.3208 558056.7285 2.8687 2.9529 PRESSURE: 4455000 74.3287 -298.066 43.8256 -298.065 12.1631 118.079 43.8258 118.08 278.827 GPRESSURE: 4455000 189.296 -311.718 33.4995 -310.788 -20.8158 69.0069 49.7114 99.7237 300.247 PRESSAVG: 4455000 54.4657 -28.5864 -18.1975 -28.5865 -57.1946 -10.8995 -18.1974 -10.8994 7.38927 GPRESSAVG: 4455000 54.5802 -26.4922 -16.8406 -30.4007 -57.1453 -12.0495 -19.5895 -11.3194 7.10448 TIMING: 4455000 CPU: 12896.3, 0.00288834/step Wall: 12896.3, 0.00288834/step, 0.437262 hours remaining, 210.355469 MB of memory in use. ENERGY: 4455000 731.3884 2080.8746 1947.6811 110.6310 -206555.4988 18170.9109 0.0000 0.0000 34265.2673 -149248.7455 299.2471 -183514.0128 -149155.7860 299.7248 121.7728 156.2425 557469.9687 1.5535 1.5131 PRESSURE: 4455200 121.653 11.7356 13.6859 11.7362 148.09 -97.6856 13.6854 -97.6847 3.06171 GPRESSURE: 4455200 66.375 -23.3856 -69.6176 -38.873 249.605 -90.8827 41.2362 -173.064 58.4473 PRESSAVG: 4455200 -46.2161 19.6639 -12.3377 19.6639 23.8942 -3.56847 -12.3377 -3.56844 11.1572 GPRESSAVG: 4455200 -47.4909 20.1392 -11.9045 19.6813 23.7196 -3.78759 -10.3321 -3.65183 12.4198 TIMING: 4455200 CPU: 12896.9, 0.0028853/step Wall: 12896.9, 0.0028853/step, 0.436642 hours remaining, 210.355469 MB of memory in use. ENERGY: 4455200 719.1433 2152.2651 1946.9756 116.9945 -206196.0614 17927.6509 0.0000 0.0000 34092.7525 -149240.2796 297.7405 -183333.0321 -149155.5017 298.8927 90.9351 124.8091 557672.9252 -3.7216 -3.7838 PRESSURE: 4455400 55.4206 -92.2981 -65.6542 -92.2964 -39.8654 -126.741 -65.6533 -126.741 7.7006 GPRESSURE: 4455400 47.3958 -46.1712 -30.1176 -36.9165 -12.7578 -121.35 -71.3719 -103.379 87.0081 PRESSAVG: 4455400 -46.3274 -2.4001 0.770757 -2.40002 -13.1994 0.461889 0.770772 0.461931 10.7606 GPRESSAVG: 4455400 -46.6445 -1.60493 -0.44679 -3.1221 -12.6917 1.49143 -1.35482 -0.643847 9.61629 TIMING: 4455400 CPU: 12897.5, 0.00288306/step Wall: 12897.5, 0.00288306/step, 0.436142 hours remaining, 210.355469 MB of memory in use. ENERGY: 4455400 724.8619 2084.7003 1952.3334 117.5830 -206233.5118 17827.7488 0.0000 0.0000 34199.3967 -149326.8876 298.6718 -183526.2843 -149241.7791 298.3610 7.7519 40.5487 557582.5574 -16.2554 -16.5733 PRESSURE: 4455600 -11.8457 -5.59996 76.7735 -5.60041 -110.697 18.2371 76.7761 18.2399 -58.7988 GPRESSURE: 4455600 35.4453 60.0577 120.314 -27.6393 -90.8607 21.6393 16.73 50.2679 -27.7467 PRESSAVG: 4455600 -4.12193 26.5973 20.8703 26.5973 2.83677 11.111 20.8704 11.111 -25.0717 GPRESSAVG: 4455600 -5.00555 25.7394 21.287 27.4175 2.48239 12.4451 22.9797 11.3233 -23.739 TIMING: 4455600 CPU: 12898, 0.00286107/step Wall: 12898, 0.00286107/step, 0.432657 hours remaining, 210.355469 MB of memory in use. ENERGY: 4455600 729.8981 2093.1879 1958.4715 124.9163 -206213.6045 17838.2874 0.0000 0.0000 34094.5483 -149374.2951 297.7562 -183468.8434 -149278.7448 299.5575 -60.4471 -27.7207 558192.3661 -8.7856 -8.7541 PRESSURE: 4455800 87.6019 79.2299 -93.4099 79.2309 -124.566 202.104 -93.4104 202.103 -240.183 GPRESSURE: 4455800 102.358 65.3936 -171.02 54.6669 -84.7573 251.367 -139.33 121.649 -204.766 PRESSAVG: 4455800 -16.5454 21.4754 -1.72456 21.4755 -13.1991 6.55975 -1.72454 6.55963 -7.02632 GPRESSAVG: 4455800 -15.4541 20.8212 -1.84613 19.98 -12.9912 5.53268 -3.77106 7.44418 -8.1886 TIMING: 4455800 CPU: 12898.6, 0.00285832/step Wall: 12898.6, 0.00285832/step, 0.432083 hours remaining, 210.355469 MB of memory in use. ENERGY: 4455800 724.4485 2056.9338 1938.8872 106.4699 -206022.0382 17636.6927 0.0000 0.0000 34068.0499 -149490.5561 297.5248 -183558.6060 -149400.9794 298.6824 -92.3824 -62.3886 558791.4614 -12.2569 -12.2113 PRESSURE: 4456000 -85.9108 -16.3883 -183.318 -16.3885 47.7983 68.8754 -183.317 68.874 -36.2119 GPRESSURE: 4456000 -4.62775 -30.4817 -181.823 23.2653 43.142 132.717 -107.875 -14.9321 -13.8004 PRESSAVG: 4456000 -24.2527 9.52403 35.1832 9.5239 -26.9427 5.32244 35.1832 5.32251 75.0423 GPRESSAVG: 4456000 -23.3003 8.64584 36.0736 10.2857 -28.794 5.98335 37.2415 3.43619 76.3646 TIMING: 4456000 CPU: 12899.2, 0.00287799/step Wall: 12899.2, 0.00287799/step, 0.434896 hours remaining, 210.355469 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: 4456000 763.9837 2083.3525 1962.8785 105.1671 -206449.2057 17869.0800 0.0000 0.0000 34357.9712 -149306.7727 300.0567 -183664.7439 -149206.0366 298.7779 -24.7748 8.2380 558149.4394 7.9490 8.0901 PRESSURE: 4456200 40.5642 108.769 -2.80834 108.767 -116.26 -130.154 -2.8091 -130.153 -176.608 GPRESSURE: 4456200 67.7708 41.6532 -33.0809 62.1736 -41.075 -64.3516 -23.892 -176.105 -172.773 PRESSAVG: 4456200 -28.1763 4.00411 8.29672 4.0041 0.507699 7.9793 8.29667 7.97923 12.3294 GPRESSAVG: 4456200 -28.7433 3.99715 9.26737 3.66716 3.3265 7.4986 7.31274 10.0829 10.9382 TIMING: 4456200 CPU: 12899.7, 0.00286626/step Wall: 12899.7, 0.00286626/step, 0.432965 hours remaining, 210.355469 MB of memory in use. ENERGY: 4456200 778.6525 2082.8895 1955.9174 119.6123 -206031.7948 17672.9815 0.0000 0.0000 34170.1953 -149251.5463 298.4168 -183421.7416 -149157.9779 300.0103 -84.1014 -48.6924 557800.1296 -5.1131 -4.8262 LDB: ============= START OF LOAD BALANCING ============== 12903.1 LDB: ============== END OF LOAD BALANCING =============== 12903.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12903.1 LDB: ============= START OF LOAD BALANCING ============== 12903.4 LDB: Largest compute 4773 load 0.023497 is 19.9% of average load 0.118100 LDB: Average compute 0.001731 is 1.5% of average load 0.118100 LDB: TIME 12903.4 LOAD: AVG 0.1181 MAX 0.179837 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.125 MB LDB: TIME 12903.4 LOAD: AVG 0.1181 MAX 0.179837 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.125 MB LDB: TIME 12903.4 LOAD: AVG 0.1181 MAX 0.179837 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12903.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12903.4 PRESSURE: 4456400 -130.426 80.3881 299.998 80.3902 146.181 200.44 299.998 200.439 -110.092 GPRESSURE: 4456400 -86.9327 112.867 297.037 45.1451 131.59 194.306 244.536 137.339 -27.4805 PRESSAVG: 4456400 2.87554 -14.014 33.7339 -14.014 13.2585 -16.312 33.7339 -16.312 3.21895 GPRESSAVG: 4456400 3.14191 -11.3358 33.8545 -15.7835 12.3555 -16.1693 34.3942 -16.7545 3.7932 TIMING: 4456400 CPU: 12900.3, 0.00292825/step Wall: 12900.3, 0.00292825/step, 0.442166 hours remaining, 211.355469 MB of memory in use. ENERGY: 4456400 745.5383 2046.3679 1961.8096 105.6518 -205949.2735 17664.1227 0.0000 0.0000 34161.6614 -149264.1218 298.3423 -183425.7832 -149169.6531 299.0834 -31.4456 5.7256 556070.2070 6.4510 6.4302 PRESSURE: 4456600 82.1941 129.538 48.4691 129.54 -201.744 55.8634 48.4694 55.8642 53.8042 GPRESSURE: 4456600 50.768 151.485 86.1023 144.315 -94.6324 -14.0887 -87.9754 49.9445 94.671 PRESSAVG: 4456600 57.592 -19.3836 -11.5513 -19.3836 9.43581 -6.50005 -11.5513 -6.49999 -22.7302 GPRESSAVG: 4456600 58.2252 -20.6448 -12.7879 -18.2987 10.6713 -7.26807 -11.528 -6.01235 -24.6259 TIMING: 4456600 CPU: 12900.9, 0.00287517/step Wall: 12900.9, 0.00287517/step, 0.43399 hours remaining, 211.558594 MB of memory in use. ENERGY: 4456600 782.9621 2116.5969 1961.8047 92.8738 -205845.1714 17732.8494 0.0000 0.0000 33975.1573 -149182.9271 296.7135 -183158.0845 -149083.5683 299.1179 -21.9153 16.9355 556784.0222 14.7659 14.7569 PRESSURE: 4456800 -51.3032 -8.05769 -116.101 -8.05848 35.0612 -8.80151 -116.102 -8.79914 -57.5907 GPRESSURE: 4456800 -32.9725 21.4629 -79.0157 23.1138 97.0829 -40.2959 4.1847 23.8053 -34.2587 PRESSAVG: 4456800 21.963 15.5032 -37.8001 15.5032 -4.30753 -15.989 -37.8001 -15.9891 -3.47739 GPRESSAVG: 4456800 21.5196 15.2866 -38.5793 14.7686 -4.54401 -16.9423 -37.2709 -15.1715 -2.57537 TIMING: 4456800 CPU: 12901.5, 0.00289879/step Wall: 12901.5, 0.00289879/step, 0.437396 hours remaining, 211.558594 MB of memory in use. ENERGY: 4456800 744.1311 2044.7181 1940.6079 123.0798 -205959.3795 17697.2379 0.0000 0.0000 34192.9433 -149216.6614 298.6155 -183409.6047 -149120.7261 299.2941 -24.6109 9.9506 556738.3026 4.7260 4.8001 PRESSURE: 4457000 43.6381 -92.3644 -27.2706 -92.3662 33.1936 103.784 -27.2704 103.785 -107.268 GPRESSURE: 4457000 15.4308 -140.863 -97.0151 29.1263 56.466 76.9728 14.5742 169.568 -14.6914 PRESSAVG: 4457000 36.0222 23.8491 -31.5834 23.849 6.71193 33.9329 -31.5834 33.9329 -32.587 GPRESSAVG: 4457000 35.6584 23.4243 -31.3127 23.482 5.64862 35.8205 -31.6275 32.8498 -31.2178 TIMING: 4457000 CPU: 12902.1, 0.00288752/step Wall: 12902.1, 0.00288752/step, 0.435534 hours remaining, 211.558594 MB of memory in use. ENERGY: 4457000 744.0477 2093.7685 1937.6913 111.7432 -205762.1526 17578.1749 0.0000 0.0000 33988.4073 -149308.3197 296.8292 -183296.7269 -149209.7937 298.4698 -10.1453 19.0685 557771.2582 3.3824 3.3631 PRESSURE: 4457200 130.941 -124.774 86.1099 -124.773 46.0415 -18.1425 86.1108 -18.142 326.766 GPRESSURE: 4457200 195.386 -86.3266 146.034 -238.613 -6.71288 -83.3501 -7.82609 39.2934 422.914 PRESSAVG: 4457200 28.9736 13.0329 -2.95394 13.033 -74.4822 38.0287 -2.95398 38.0288 50.8381 GPRESSAVG: 4457200 30.2482 12.8447 -3.05311 14.072 -74.3387 35.0047 -2.46674 38.7626 50.0405 TIMING: 4457200 CPU: 12902.6, 0.00288896/step Wall: 12902.6, 0.00288896/step, 0.435591 hours remaining, 211.558594 MB of memory in use. ENERGY: 4457200 713.5939 2026.2995 1953.9286 115.3878 -206336.9598 17995.4975 0.0000 0.0000 34376.7752 -149155.4774 300.2209 -183532.2525 -149050.1816 298.8480 167.9159 203.8624 556077.0811 1.7765 1.9833 PRESSURE: 4457400 111.349 -81.312 -153.263 -81.3119 50.4118 -7.83859 -153.264 -7.83846 211.27 GPRESSURE: 4457400 161.64 -70.3733 -136.843 -66.8489 97.4365 -166.364 -97.8087 73.709 211.287 PRESSAVG: 4457400 8.78251 -2.42473 68.4792 -2.42471 -36.0757 16.5342 68.4792 16.5342 45.3279 GPRESSAVG: 4457400 8.34224 -3.0558 71.1113 -0.819149 -35.944 18.7883 67.245 15.1507 45.1861 TIMING: 4457400 CPU: 12903.2, 0.00288613/step Wall: 12903.2, 0.00288613/step, 0.435003 hours remaining, 211.558594 MB of memory in use. ENERGY: 4457400 744.6868 2051.0339 1944.9719 110.1029 -206245.1669 17962.4939 0.0000 0.0000 34383.1976 -149048.6799 300.2770 -183431.8775 -148952.4481 299.4699 124.3436 156.7879 557278.5886 6.0116 5.8615 PRESSURE: 4457600 -50.1223 -254.811 -61.9499 -254.811 245.28 58.1466 -61.9516 58.1472 150.306 GPRESSURE: 4457600 15.5934 -272.927 49.3884 -189.115 214.247 162.93 -186.307 -20.7712 220.587 PRESSAVG: 4457600 -56.7739 12.2894 5.86842 12.2895 -0.916905 31.9717 5.86834 31.9717 43.6887 GPRESSAVG: 4457600 -56.5482 14.702 5.05952 10.0916 -1.05832 31.9264 5.97199 32.2288 43.2211 TIMING: 4457600 CPU: 12903.8, 0.0028793/step Wall: 12903.8, 0.0028793/step, 0.433815 hours remaining, 211.558594 MB of memory in use. ENERGY: 4457600 707.4847 2099.2541 1930.0608 106.6719 -205677.1177 17608.0462 0.0000 0.0000 33956.6741 -149268.9259 296.5521 -183225.6000 -149173.5435 299.0063 115.1548 150.1426 556865.1954 -4.6674 -4.7952 PRESSURE: 4457800 -100.587 11.5242 -40.8691 11.5226 -16.8824 -50.289 -40.8694 -50.2895 -118.661 GPRESSURE: 4457800 10.9371 6.83692 -91.5759 54.2344 -12.2401 12.487 -84.8373 -175.829 -125.679 PRESSAVG: 4457800 -70.4483 -31.9319 -0.850278 -31.9318 65.6175 -51.1155 -0.850247 -51.1154 23.6249 GPRESSAVG: 4457800 -71.2012 -34.0306 -0.802308 -30.8005 65.8199 -50.7219 -1.72843 -50.8702 25.0081 TIMING: 4457800 CPU: 12904.4, 0.00287876/step Wall: 12904.4, 0.00287876/step, 0.433573 hours remaining, 211.558594 MB of memory in use. ENERGY: 4457800 735.0139 2079.9235 1925.2352 107.9677 -205917.7897 17619.8854 0.0000 0.0000 34219.2276 -149230.5364 298.8450 -183449.7640 -149134.9674 299.0718 -78.7102 -42.3274 558055.7386 6.2647 6.5422 PRESSURE: 4458000 142.255 41.0257 43.583 41.0247 93.1859 -87.7016 43.5824 -87.7017 182.558 GPRESSURE: 4458000 218.024 -16.1192 34.3769 79.0297 126.449 -135.377 17.4289 -17.6978 172.299 PRESSAVG: 4458000 -27.967 -12.715 10.4897 -12.715 4.19102 -33.9106 10.4897 -33.9106 24.9316 GPRESSAVG: 4458000 -27.1097 -12.5724 10.0711 -13.7543 4.67424 -34.6432 12.1997 -33.615 23.2417 TIMING: 4458000 CPU: 12904.9, 0.00289987/step Wall: 12904.9, 0.00289987/step, 0.436592 hours remaining, 211.558594 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: 4458000 717.3015 2108.2425 1978.6649 110.9913 -206203.3364 18044.8585 0.0000 0.0000 34203.7743 -149039.5034 298.7101 -183243.2777 -148944.6864 299.4430 139.3327 172.2575 556212.4257 0.3852 0.2688 PRESSURE: 4458200 300.794 -250.465 -45.3504 -250.464 266.692 -35.6291 -45.3505 -35.6299 45.1348 GPRESSURE: 4458200 319.768 -162.409 -44.8941 -291.34 274.352 -44.8298 -67.5877 -11.1473 114.891 PRESSAVG: 4458200 -50.2935 12.3757 29.3499 12.3757 -2.90892 -65.7232 29.3499 -65.7231 31.1357 GPRESSAVG: 4458200 -51.4058 12.1289 28.3895 13.3368 -2.49625 -67.7061 29.1898 -65.142 31.8839 TIMING: 4458200 CPU: 12905.5, 0.00288986/step Wall: 12905.5, 0.00288986/step, 0.434924 hours remaining, 211.558594 MB of memory in use. ENERGY: 4458200 731.2350 2097.4362 1939.9668 106.2506 -206009.8901 17991.2954 0.0000 0.0000 34283.0413 -148860.6648 299.4023 -183143.7062 -148764.5677 300.0860 204.2070 236.3371 556297.2692 -7.3555 -7.3394 PRESSURE: 4458400 -312.365 -64.3488 -39.9756 -64.3492 -28.5409 41.9065 -39.9754 41.9061 -40.3305 GPRESSURE: 4458400 -336.29 -140.674 -44.6134 72.5096 30.0777 90.1084 -47.8193 24.4368 17.2923 PRESSAVG: 4458400 58.2288 -14.9342 -23.3857 -14.9342 52.106 -27.063 -23.3856 -27.0631 -80.2125 GPRESSAVG: 4458400 59.456 -14.7482 -23.8892 -15.7946 51.4838 -24.4303 -23.1656 -27.3729 -81.1933 TIMING: 4458400 CPU: 12906.1, 0.00290064/step Wall: 12906.1, 0.00290064/step, 0.436385 hours remaining, 211.558594 MB of memory in use. ENERGY: 4458400 712.1582 2092.3210 1939.1528 108.2342 -205977.1350 17585.6807 0.0000 0.0000 34470.4067 -149069.1816 301.0386 -183539.5882 -148977.2929 299.8053 -127.0788 -96.3068 558085.1301 10.0408 9.9155 PRESSURE: 4458600 -4.80527 199.11 -183.131 199.11 215.162 -86.689 -183.132 -86.6905 -133.977 GPRESSURE: 4458600 45.7112 144.75 -150.53 260.844 229.275 -139.687 -157.738 -30.0391 -124.636 PRESSAVG: 4458600 -30.5961 39.7843 -70.675 39.7841 0.420714 -51.1363 -70.6749 -51.1363 13.6935 GPRESSAVG: 4458600 -31.2059 38.7727 -71.5466 41.2681 -0.0312783 -51.6772 -70.0609 -51.3144 14.7607 TIMING: 4458600 CPU: 12906.7, 0.00291082/step Wall: 12906.7, 0.00291082/step, 0.437755 hours remaining, 211.558594 MB of memory in use. ENERGY: 4458600 721.0237 2037.7267 1964.8190 90.8007 -205822.2074 17668.6694 0.0000 0.0000 34264.7073 -149074.4607 299.2422 -183339.1681 -148980.3020 299.7402 25.4598 50.1167 557775.6822 -5.4940 -5.4922 PRESSURE: 4458800 128.458 39.1035 -16.8373 39.1044 -19.9286 -133.459 -16.8378 -133.459 -101.439 GPRESSURE: 4458800 141.349 54.0832 13.0923 -24.2226 13.8158 -166.623 38.9518 -58.5883 -42.7125 PRESSAVG: 4458800 71.0688 -21.7997 -35.1715 -21.7997 42.6967 -8.0913 -35.1716 -8.09126 -99.2646 GPRESSAVG: 4458800 71.6444 -21.7968 -33.6479 -21.3743 43.6719 -7.45214 -35.8399 -7.17315 -100.743 TIMING: 4458800 CPU: 12907.3, 0.00290071/step Wall: 12907.3, 0.00290071/step, 0.436074 hours remaining, 211.558594 MB of memory in use. ENERGY: 4458800 713.7686 2065.7902 1997.4598 100.3674 -206041.9823 17692.5933 0.0000 0.0000 34257.6722 -149214.3309 299.1808 -183472.0031 -149122.6230 299.5533 2.3634 37.4840 556235.8261 4.8337 4.8579 PRESSURE: 4459000 -14.3653 -147.228 -68.3308 -147.228 237.92 -51.1054 -68.3306 -51.1067 44.8134 GPRESSURE: 4459000 30.7169 -186.744 -4.81656 -36.5284 313.474 -78.7912 -75.2231 -85.4695 27.6785 PRESSAVG: 4459000 -4.30471 52.3646 -10.7341 52.3646 69.3937 -37.8248 -10.7341 -37.8249 -59.1248 GPRESSAVG: 4459000 -6.03191 53.1683 -10.419 51.3434 70.0872 -38.3539 -11.5681 -38.5892 -57.8747 TIMING: 4459000 CPU: 12907.8, 0.00288649/step Wall: 12907.8, 0.00288649/step, 0.433776 hours remaining, 211.558594 MB of memory in use. ENERGY: 4459000 739.8649 2040.5484 1937.8716 111.0207 -206593.4816 18080.3412 0.0000 0.0000 34422.4112 -149261.4236 300.6195 -183683.8348 -149170.7038 298.8545 89.4562 123.9563 556106.8662 1.9881 2.0602 PRESSURE: 4459200 -364.532 -7.6373 -173.8 -7.63718 12.6547 14.8785 -173.8 14.8773 86.7423 GPRESSURE: 4459200 -367.381 -27.4408 -231.404 -21.8657 37.2547 -62.8176 -227.064 37.8492 155.021 PRESSAVG: 4459200 -70.5176 -44.2644 -66.2201 -44.2644 34.2343 -21.1134 -66.2201 -21.1133 21.5323 GPRESSAVG: 4459200 -69.6984 -43.3948 -66.0874 -45.1541 33.5663 -22.4344 -65.7308 -18.2154 21.1209 TIMING: 4459200 CPU: 12908.4, 0.00289808/step Wall: 12908.4, 0.00289808/step, 0.435357 hours remaining, 211.558594 MB of memory in use. ENERGY: 4459200 759.9293 2060.8699 1957.2728 110.5895 -206053.2207 17601.9619 0.0000 0.0000 34289.7866 -149272.8107 299.4612 -183562.5973 -149177.3159 298.7827 -88.3784 -58.3682 556834.3969 -4.9170 -5.0037 PRESSURE: 4459400 -247.359 179.185 36.5814 179.187 -238.167 -108.986 36.5812 -108.986 -116.034 GPRESSURE: 4459400 -211.6 145.095 18.5107 168.14 -187.05 -40.6822 54.9523 -101.221 -99.5262 PRESSAVG: 4459400 -29.9502 43.9145 25.844 43.9146 -0.632752 -6.48986 25.8439 -6.4899 110.957 GPRESSAVG: 4459400 -30.4027 42.6909 25.1136 43.8347 -1.77498 -2.45305 26.3159 -10.0176 112.178 TIMING: 4459400 CPU: 12909, 0.00288793/step Wall: 12909, 0.00288793/step, 0.43367 hours remaining, 211.558594 MB of memory in use. ENERGY: 4459400 797.5117 2066.6107 1946.1772 112.4895 -206026.6641 17542.6564 0.0000 0.0000 34406.6819 -149154.5368 300.4821 -183561.2187 -149053.1760 299.6885 -200.5201 -166.0589 557718.3303 26.7912 26.6667 PRESSURE: 4459600 -28.4832 -4.91942 -55.4839 -4.91895 289.479 31.0082 -55.4838 31.0065 186.225 GPRESSURE: 4459600 -25.1009 -15.0508 52.1151 77.7497 369.603 -12.465 -154.912 82.8024 207.477 PRESSAVG: 4459600 -34.3378 3.87551 -5.26475 3.8755 5.77004 -39.8338 -5.26473 -39.8338 34.5154 GPRESSAVG: 4459600 -34.5517 4.40393 -6.7199 3.62154 5.36719 -43.2188 -5.13569 -40.4778 34.3157 TIMING: 4459600 CPU: 12909.6, 0.00288458/step Wall: 12909.6, 0.00288458/step, 0.433008 hours remaining, 211.558594 MB of memory in use. ENERGY: 4459600 756.2912 2096.5165 1963.3141 115.3403 -206528.5985 17989.0695 0.0000 0.0000 34203.6579 -149404.4091 298.7091 -183608.0670 -149311.7211 299.5028 149.0735 183.9931 556949.7899 1.9826 1.7104 PRESSURE: 4459800 -79.4279 -1.14288 -8.18104 -1.14348 -78.7033 129.465 -8.18045 129.464 -198.165 GPRESSURE: 4459800 -61.5816 10.1114 21.6985 -91.7183 -39.0478 150.775 92.1287 131.663 -163.754 PRESSAVG: 4459800 -33.7885 -17.1797 9.07116 -17.1797 14.3123 2.4409 9.07118 2.44092 10.2362 GPRESSAVG: 4459800 -33.6916 -19.6309 8.71773 -15.6321 14.0963 4.36351 8.81045 4.54511 10.6048 TIMING: 4459800 CPU: 12910.2, 0.00288733/step Wall: 12910.2, 0.00288733/step, 0.433259 hours remaining, 211.558594 MB of memory in use. ENERGY: 4459800 785.8513 2105.3884 1948.0512 126.4469 -206488.6007 17735.6263 0.0000 0.0000 34370.5745 -149416.6621 300.1668 -183787.2366 -149316.8207 298.8887 -118.7653 -88.1278 556712.6649 -3.0800 -2.9968 PRESSURE: 4460000 -112.441 18.3449 73.1051 18.3441 -267.602 -143.131 73.1047 -143.13 55.9676 GPRESSURE: 4460000 -54.7097 -21.193 21.7831 -27.8803 -219.136 -191.716 94.6692 -155.953 49.0737 PRESSAVG: 4460000 -23.2307 -12.243 -8.05439 -12.2429 -29.2367 -32.6268 -8.05437 -32.6267 76.0808 GPRESSAVG: 4460000 -22.2294 -8.16456 -5.88878 -13.9456 -27.6716 -33.8277 -7.54311 -34.7047 74.0774 TIMING: 4460000 CPU: 12910.7, 0.00288592/step Wall: 12910.7, 0.00288592/step, 0.432888 hours remaining, 211.558594 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: 4460000 746.7016 2110.0802 1936.2183 113.1759 -206268.3477 17732.4832 0.0000 0.0000 34016.1660 -149613.5226 297.0716 -183629.6885 -149514.5325 298.7198 -108.0249 -74.9239 557343.4154 7.8711 8.0588 PRESSURE: 4460200 -15.5326 -4.86265 -166.567 -4.8637 0.261168 -185.474 -166.567 -185.474 296.595 GPRESSURE: 4460200 62.2027 -66.4216 -110.917 63.6129 41.0052 -180.097 -181.986 -253.814 284.927 PRESSAVG: 4460200 5.19183 6.43566 -27.9718 6.43571 -35.9594 -66.3117 -27.9718 -66.3118 31.9169 GPRESSAVG: 4460200 5.46594 5.05398 -28.1295 6.71177 -37.8607 -65.4187 -29.2911 -64.934 32.5696 TIMING: 4460200 CPU: 12911.3, 0.00287832/step Wall: 12911.3, 0.00287832/step, 0.431588 hours remaining, 211.558594 MB of memory in use. ENERGY: 4460200 710.1524 2136.0506 1955.3752 113.2637 -206596.0814 17913.6351 0.0000 0.0000 34192.5085 -149575.0960 298.6117 -183767.6045 -149482.1460 298.6178 93.7746 129.3783 556335.6267 0.3831 0.0583 LDB: ============= START OF LOAD BALANCING ============== 12914.7 LDB: ============== END OF LOAD BALANCING =============== 12914.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12914.7 LDB: ============= START OF LOAD BALANCING ============== 12915 LDB: Largest compute 4773 load 0.025207 is 21.4% of average load 0.118031 LDB: Average compute 0.001719 is 1.5% of average load 0.118031 LDB: TIME 12915 LOAD: AVG 0.118031 MAX 0.177639 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.266 MB LDB: TIME 12915 LOAD: AVG 0.118031 MAX 0.177639 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.266 MB LDB: TIME 12915 LOAD: AVG 0.118031 MAX 0.177639 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.266 MB LDB: ============== END OF LOAD BALANCING =============== 12915 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12915 PRESSURE: 4460400 -181.913 -15.5464 21.5426 -15.5455 70.3252 104.399 21.5414 104.4 -48.1134 GPRESSURE: 4460400 -66.652 -78.4893 27.4386 -32.7425 -11.029 57.9409 69.1385 106.752 8.62726 PRESSAVG: 4460400 14.2585 -0.253816 7.41932 -0.253758 -43.1488 -38.7663 7.41931 -38.7662 10.8033 GPRESSAVG: 4460400 13.8339 -1.22531 6.03574 0.865635 -43.2644 -40.3794 8.33055 -38.3527 10.9903 TIMING: 4460400 CPU: 12911.9, 0.00293834/step Wall: 12911.9, 0.00293834/step, 0.440425 hours remaining, 212.871094 MB of memory in use. ENERGY: 4460400 752.3745 2138.2090 1914.6344 109.1401 -206252.8841 17787.1746 0.0000 0.0000 34196.4671 -149354.8844 298.6463 -183551.3516 -149258.2003 298.4161 -53.2336 -23.0179 556468.4816 -6.0290 -6.1467 PRESSURE: 4460600 -206.402 -162.785 50.5697 -162.784 -112.724 28.986 50.5693 28.9876 -137.91 GPRESSURE: 4460600 -212.404 -121.701 57.5673 -138.497 -25.9594 110.611 148.132 -28.1371 -128.405 PRESSAVG: 4460600 -18.4989 -15.4429 -4.23767 -15.443 -25.1848 -74.1528 -4.2376 -74.1528 46.4333 GPRESSAVG: 4460600 -18.8553 -15.8983 -3.32437 -14.9917 -25.0546 -72.5923 -3.98378 -74.8613 46.1853 TIMING: 4460600 CPU: 12912.5, 0.00288449/step Wall: 12912.5, 0.00288449/step, 0.432193 hours remaining, 213.074219 MB of memory in use. ENERGY: 4460600 745.0382 2015.8132 1958.4755 137.2673 -206614.7327 17798.7342 0.0000 0.0000 34292.7005 -149666.7038 299.4867 -183959.4043 -149568.5310 297.7685 -152.3455 -122.2562 557718.5496 0.9165 0.7585 PRESSURE: 4460800 -86.3013 -149.4 126.664 -149.4 -435.372 -65.9358 126.664 -65.9368 -140.077 GPRESSURE: 4460800 -64.2511 -169.996 90.7319 -95.7565 -366.267 -93.9879 175.05 -118.73 -139.786 PRESSAVG: 4460800 22.942 -27.5542 0.25153 -27.5543 -72.6748 -1.45427 0.251493 -1.45427 -5.87075 GPRESSAVG: 4460800 22.0592 -27.1288 0.413411 -28.374 -71.2866 -4.01205 -0.589379 0.553684 -6.50314 TIMING: 4460800 CPU: 12913.1, 0.00289285/step Wall: 12913.1, 0.00289285/step, 0.433285 hours remaining, 213.074219 MB of memory in use. ENERGY: 4460800 738.2077 2098.7373 1953.9601 122.6581 -206176.2180 17743.7298 0.0000 0.0000 34046.6797 -149472.2452 297.3381 -183518.9249 -149374.7361 298.3982 -220.5836 -190.1014 557971.5321 -18.5345 -18.5768 PRESSURE: 4461000 -6.99731 -94.8299 104.123 -94.8319 172.908 -25.4879 104.122 -25.4888 -325.593 GPRESSURE: 4461000 13.8107 -80.5979 38.015 -31.9433 179.815 -44.2118 134.667 32.552 -254.684 PRESSAVG: 4461000 81.8173 -41.8916 -20.8761 -41.8918 -38.3679 17.0117 -20.876 17.0117 -63.0263 GPRESSAVG: 4461000 82.2714 -42.1035 -21.477 -42.5918 -39.6657 19.268 -20.7431 14.1569 -62.0546 TIMING: 4461000 CPU: 12913.6, 0.00288582/step Wall: 12913.6, 0.00288582/step, 0.432072 hours remaining, 213.074219 MB of memory in use. ENERGY: 4461000 778.9403 2076.9567 1974.8135 107.2751 -206645.6261 17993.7190 0.0000 0.0000 34207.2026 -149506.7188 298.7400 -183713.9214 -149413.0924 298.8003 -53.2277 -20.3527 556850.7979 -6.5256 -6.4830 PRESSURE: 4461200 -209.83 111.329 -11.7593 111.327 -175.412 77.2199 -11.7586 77.2201 127.372 GPRESSURE: 4461200 -176.417 44.1669 95.4451 161.48 -166.309 111.549 -8.43224 17.1478 183.72 PRESSAVG: 4461200 30.5278 -5.31996 10.8031 -5.32 -15.5495 -41.86 10.803 -41.8601 -14.4593 GPRESSAVG: 4461200 29.5589 -6.05462 11.9963 -3.25755 -14.2491 -43.7467 10.9693 -39.4846 -14.5822 TIMING: 4461200 CPU: 12914.2, 0.00288776/step Wall: 12914.2, 0.00288776/step, 0.432202 hours remaining, 213.074219 MB of memory in use. ENERGY: 4461200 737.5112 2067.9367 1946.4344 127.7557 -206399.7593 17801.9240 0.0000 0.0000 34336.0481 -149382.1492 299.8652 -183718.1973 -149287.6341 298.4683 -85.9565 -53.0020 556691.5199 0.1730 0.2425 PRESSURE: 4461400 70.7829 20.1346 48.5742 20.1333 -226.079 93.1667 48.5748 93.1682 -28.7635 GPRESSURE: 4461400 128.066 72.7116 84.8468 -18.1863 -176.522 54.4079 38.6848 81.7818 -32.438 PRESSAVG: 4461400 3.30442 49.357 42.1304 49.3571 -22.7311 30.1515 42.1305 30.1515 22.5251 GPRESSAVG: 4461400 4.35842 47.6769 38.843 49.1804 -23.7401 32.6282 45.6528 29.3427 22.8241 TIMING: 4461400 CPU: 12914.8, 0.00288682/step Wall: 12914.8, 0.00288682/step, 0.431901 hours remaining, 213.074219 MB of memory in use. ENERGY: 4461400 767.2510 2101.2035 1962.3666 127.6033 -206116.7029 17674.5140 0.0000 0.0000 34207.2333 -149276.5311 298.7403 -183483.7644 -149182.2860 299.8748 -61.3533 -26.9647 556174.3492 1.0328 1.1475 PRESSURE: 4461600 -154.637 -158.691 -51.1089 -158.691 -27.7892 9.29093 -51.1103 9.28993 -52.6851 GPRESSURE: 4461600 -87.3732 -140.964 -110.625 -195.667 -39.3494 4.71297 -69.776 47.8963 -17.5804 PRESSAVG: 4461600 -20.1641 12.9717 20.1209 12.9717 -23.3365 24.7032 20.121 24.7033 49.6018 GPRESSAVG: 4461600 -20.7219 15.129 22.1101 11.9327 -23.2715 24.3091 17.1408 24.9162 49.4235 TIMING: 4461600 CPU: 12915.4, 0.00289065/step Wall: 12915.4, 0.00289065/step, 0.432312 hours remaining, 213.074219 MB of memory in use. ENERGY: 4461600 746.7364 2132.9674 1959.1036 107.1826 -205769.0765 17692.1852 0.0000 0.0000 34094.8086 -149036.0928 297.7584 -183130.9013 -148943.7289 299.7136 -78.3706 -48.1010 558112.1275 2.0337 1.8100 PRESSURE: 4461800 273.42 2.57618 -38.5954 2.57614 -201.615 -30.9921 -38.5966 -30.9914 30.2516 GPRESSURE: 4461800 320.135 99.461 10.0507 17.789 -157.305 -2.41264 17.1452 2.72414 36.0276 PRESSAVG: 4461800 -30.8255 -32.2229 -27.8238 -32.2229 -18.2908 0.845646 -27.8238 0.84577 64.9339 GPRESSAVG: 4461800 -31.6376 -32.2519 -29.2911 -33.0795 -18.8513 1.81083 -27.6633 0.600554 65.8236 TIMING: 4461800 CPU: 12915.9, 0.0028929/step Wall: 12915.9, 0.0028929/step, 0.432488 hours remaining, 213.074219 MB of memory in use. ENERGY: 4461800 752.0888 2056.8989 1957.4558 109.4272 -206349.2255 17931.8089 0.0000 0.0000 34236.4940 -149305.0518 298.9958 -183541.5458 -149201.9088 299.2874 34.0189 66.2859 556844.0018 5.2725 5.1116 PRESSURE: 4462000 130.148 -59.4885 -214.04 -59.4893 -127.606 -100.728 -214.041 -100.727 -33.6465 GPRESSURE: 4462000 135.058 -118.166 -194.885 -87.4791 -63.9516 -78.9895 -175.781 -98.1875 -13.6665 PRESSAVG: 4462000 6.62718 6.62161 -42.7347 6.6217 -48.5446 -10.8684 -42.7346 -10.8683 30.1061 GPRESSAVG: 4462000 7.88908 6.75831 -42.9745 6.26479 -48.6645 -10.5388 -41.5165 -8.68483 28.9116 TIMING: 4462000 CPU: 12916.5, 0.00288159/step Wall: 12916.5, 0.00288159/step, 0.430638 hours remaining, 213.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4462000 774.9054 2081.5350 1931.9777 106.0027 -206466.6675 18055.1918 0.0000 0.0000 34175.7597 -149341.2953 298.4654 -183517.0550 -149251.7698 298.8367 -10.3679 19.1468 559479.9702 -3.9371 -3.9546 PRESSURE: 4462200 -96.7709 62.7751 60.2597 62.7745 -181.545 -2.67366 60.2603 -2.67521 -92.7692 GPRESSURE: 4462200 -106.601 63.0095 42.4806 74.6042 -155.312 -10.7484 81.2361 41.5112 -4.63326 PRESSAVG: 4462200 -20.897 -5.02971 -16.9039 -5.02973 13.5052 -30.2053 -16.9039 -30.2054 -0.155674 GPRESSAVG: 4462200 -21.1293 -3.12091 -15.4913 -5.48193 13.9522 -31.5406 -20.7502 -33.0318 -0.174792 TIMING: 4462200 CPU: 12917.1, 0.00289204/step Wall: 12917.1, 0.00289204/step, 0.432039 hours remaining, 213.074219 MB of memory in use. ENERGY: 4462200 744.5495 2058.2648 1974.8283 105.9538 -206084.1428 17718.5186 0.0000 0.0000 34254.9212 -149227.1066 299.1567 -183482.0278 -149131.5897 298.3766 -123.6951 -88.8490 558580.1557 -2.5158 -2.4506 PRESSURE: 4462400 -40.6245 49.1786 21.2343 49.1788 -438.825 -15.276 21.2344 -15.274 -243.581 GPRESSURE: 4462400 -57.757 -16.1659 13.5071 119.69 -368.735 47.3908 141.607 -41.0088 -210.781 PRESSAVG: 4462400 84.9212 -9.22565 19.5652 -9.22577 -74.0217 -12.2843 19.5653 -12.2845 24.0198 GPRESSAVG: 4462400 84.8664 -9.61188 20.7871 -8.6249 -73.7204 -13.6999 20.9332 -8.9846 23.8988 TIMING: 4462400 CPU: 12917.7, 0.00287988/step Wall: 12917.7, 0.00287988/step, 0.430062 hours remaining, 213.074219 MB of memory in use. ENERGY: 4462400 747.3709 2059.0598 1954.3811 120.9675 -205811.4087 17526.9182 0.0000 0.0000 34302.0433 -149100.6678 299.5683 -183402.7111 -149014.5687 299.7957 -241.0104 -212.4244 558111.3991 11.6398 11.6816 PRESSURE: 4462600 150.153 29.4682 -219.91 29.4683 -150.49 54.4348 -219.91 54.4338 -192.828 GPRESSURE: 4462600 183.699 -16.0795 -255.873 30.1431 -121.562 45.2856 -205.542 -19.3051 -157.777 PRESSAVG: 4462600 -13.2501 -3.94337 -7.49073 -3.94345 -93.3169 -13.1366 -7.49075 -13.1366 61.0406 GPRESSAVG: 4462600 -14.026 -4.67495 -7.85914 -4.64557 -92.9277 -12.3154 -7.7855 -15.1684 61.5299 TIMING: 4462600 CPU: 12918.3, 0.00288241/step Wall: 12918.3, 0.00288241/step, 0.430279 hours remaining, 213.074219 MB of memory in use. ENERGY: 4462600 739.2726 2053.2885 1938.5429 114.1456 -206164.0008 17705.6033 0.0000 0.0000 34349.6204 -149263.5274 299.9838 -183613.1478 -149164.6497 299.0385 -64.3882 -31.8802 557922.8085 -15.1755 -15.1413 PRESSURE: 4462800 -1.33136 -200.425 -93.2315 -200.425 306.12 3.78958 -93.2314 3.79144 -28.9739 GPRESSURE: 4462800 26.4051 -175.587 -96.4674 -202.524 269.705 49.4511 -124.561 11.452 88.7453 PRESSAVG: 4462800 -41.8863 30.0644 35.5949 30.0645 26.7694 -19.2175 35.5948 -19.2177 41.9052 GPRESSAVG: 4462800 -40.8115 28.8234 36.3181 30.2674 25.1117 -19.8857 36.8854 -18.2952 42.1273 TIMING: 4462800 CPU: 12918.8, 0.00286583/step Wall: 12918.8, 0.00286583/step, 0.427646 hours remaining, 213.074219 MB of memory in use. ENERGY: 4462800 718.7276 2087.8107 1953.1557 110.7401 -206119.9692 17954.7284 0.0000 0.0000 34281.6750 -149013.1315 299.3904 -183294.8065 -148923.0199 299.1711 91.9382 128.2853 558702.6479 8.9294 8.8092 PRESSURE: 4463000 -179.178 38.3721 34.8569 38.3723 -122.637 124.621 34.8556 124.622 0.969702 GPRESSURE: 4463000 -182.063 30.4315 27.4435 51.9688 -80.1212 11.493 -14.0016 119.848 51.085 PRESSAVG: 4463000 13.5885 41.534 -2.32824 41.5341 22.7522 -25.744 -2.32814 -25.7441 -4.57964 GPRESSAVG: 4463000 13.1739 45.059 -1.99204 41.846 23.5271 -25.399 -3.95145 -26.7471 -4.55633 TIMING: 4463000 CPU: 12919.4, 0.00286964/step Wall: 12919.4, 0.00286964/step, 0.428055 hours remaining, 213.074219 MB of memory in use. ENERGY: 4463000 723.9764 2084.6158 1948.8338 101.9954 -206037.2281 17698.0400 0.0000 0.0000 34535.4253 -148944.3414 301.6065 -183479.7667 -148847.9268 299.8205 -100.2817 -70.3664 558874.2232 10.5870 10.7149 PRESSURE: 4463200 174.801 134.112 -30.8297 134.114 -150.601 -153.737 -30.8298 -153.736 132.2 GPRESSURE: 4463200 152.665 108.803 8.7449 127.751 -94.1425 -194.519 -68.9937 -126.108 190.312 PRESSAVG: 4463200 -34.2336 47.0874 71.633 47.0876 -3.08889 25.5146 71.6331 25.5147 23.7748 GPRESSAVG: 4463200 -34.7374 44.5455 70.3863 47.714 -3.3519 27.498 73.3655 22.701 24.4015 TIMING: 4463200 CPU: 12920, 0.0028865/step Wall: 12920, 0.0028865/step, 0.43041 hours remaining, 213.074219 MB of memory in use. ENERGY: 4463200 735.0470 2076.1197 1955.4958 132.3327 -205974.0790 17961.8625 0.0000 0.0000 34248.2447 -148864.9767 299.0984 -183113.2214 -148769.7710 299.7489 52.1334 82.9449 557716.7977 -4.5159 -4.5626 PRESSURE: 4463400 246.214 71.6532 117.345 71.6544 52.1676 84.6287 117.344 84.6291 5.76575 GPRESSURE: 4463400 249.372 139.433 100.082 92.5328 131.323 137.563 51.4565 22.2036 16.8674 PRESSAVG: 4463400 -53.7864 44.8592 43.0492 44.8593 -26.0236 -12.1547 43.0491 -12.1546 39.2813 GPRESSAVG: 4463400 -52.5461 42.6563 42.9603 44.7085 -25.8928 -12.6561 43.455 -9.84756 38.5859 TIMING: 4463400 CPU: 12920.6, 0.00288582/step Wall: 12920.6, 0.00288581/step, 0.430147 hours remaining, 213.074219 MB of memory in use. ENERGY: 4463400 704.7572 2085.4194 1949.0395 104.2193 -205937.2107 17783.7408 0.0000 0.0000 34320.4671 -148989.5674 299.7292 -183310.0346 -148895.5739 299.1833 101.3826 132.5210 557269.7345 -13.5096 -13.2843 PRESSURE: 4463600 -84.2667 70.061 -19.821 70.0595 192.524 11.505 -19.8215 11.5051 135.252 GPRESSURE: 4463600 -79.4637 57.5337 114.327 81.3762 236.149 -37.113 -76.3495 58.0985 187.414 PRESSAVG: 4463600 -50.4164 26.3148 -1.74479 26.3147 15.989 -12.5262 -1.74482 -12.5261 53.4 GPRESSAVG: 4463600 -51.6545 29.9395 0.586387 24.6701 17.1528 -12.881 -3.55582 -14.1874 53.269 TIMING: 4463600 CPU: 12921.1, 0.00288782/step Wall: 12921.1, 0.00288782/step, 0.430285 hours remaining, 213.074219 MB of memory in use. ENERGY: 4463600 752.0115 2070.5640 1947.9029 106.2482 -205911.6766 17892.7512 0.0000 0.0000 34190.6127 -148951.5861 298.5951 -183142.1988 -148850.5812 299.4691 81.1698 114.7001 558531.9717 6.3242 6.2558 PRESSURE: 4463800 29.8924 -47.8154 -26.9158 -47.8167 105.696 177.662 -26.9163 177.661 -229.459 GPRESSURE: 4463800 18.6801 -52.9487 -59.3298 -51.485 155.903 67.7721 35.766 283.448 -171.379 PRESSAVG: 4463800 10.027 -3.30703 -40.7939 -3.30715 36.7474 -14.1181 -40.7939 -14.1182 -62.1577 GPRESSAVG: 4463800 9.18799 -5.4275 -41.775 -0.847551 36.6338 -16.3731 -39.7223 -12.512 -61.7332 TIMING: 4463800 CPU: 12921.7, 0.00289556/step Wall: 12921.7, 0.00289556/step, 0.431278 hours remaining, 213.074219 MB of memory in use. ENERGY: 4463800 716.6685 2063.1013 1970.2140 95.8513 -205468.5683 17541.4890 0.0000 0.0000 34162.4671 -148918.7771 298.3493 -183081.2442 -148812.2523 299.6053 -31.2902 1.0681 558010.3227 -5.1278 -5.3038 PRESSURE: 4464000 -12.1445 -117.872 15.0125 -117.873 213.525 90.2024 15.0128 90.2009 -139.347 GPRESSURE: 4464000 -16.3582 -141.758 119.092 -99.1695 255.93 157.678 -32.3386 65.0027 -83.6995 PRESSAVG: 4464000 60.3991 -29.5831 31.3399 -29.583 -30.8297 28.2147 31.3398 28.2147 -54.9044 GPRESSAVG: 4464000 61.0771 -28.9781 32.9093 -31.2451 -31.0848 29.7744 30.1182 28.905 -55.505 TIMING: 4464000 CPU: 12922.3, 0.00288605/step Wall: 12922.3, 0.00288605/step, 0.429701 hours remaining, 213.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4464000 763.0963 2135.4563 1959.0844 94.0694 -206130.0341 17812.7663 0.0000 0.0000 34325.1760 -149040.3855 299.7703 -183365.5614 -148940.4583 299.9811 20.6775 51.9574 556871.4496 -8.4450 -8.5042 PRESSURE: 4464200 -347.346 -10.7451 -2.53721 -10.7439 -42.0075 -40.7668 -2.53676 -40.7684 -25.7795 GPRESSURE: 4464200 -301.757 33.9026 -52.6119 -112.721 -10.9478 -62.9163 74.0662 -119.468 -3.10712 PRESSAVG: 4464200 52.4354 -37.9119 20.3272 -37.9118 12.7058 -27.4026 20.3272 -27.4025 -69.853 GPRESSAVG: 4464200 54.0432 -35.7524 17.0264 -38.0376 12.0934 -28.7805 22.067 -30.0676 -70.6833 TIMING: 4464200 CPU: 12922.9, 0.0028818/step Wall: 12922.9, 0.0028818/step, 0.428907 hours remaining, 213.074219 MB of memory in use. ENERGY: 4464200 756.5865 2090.5775 1953.5247 116.6515 -205951.2089 17863.8988 0.0000 0.0000 34242.0928 -148927.8769 299.0447 -183169.9698 -148830.7411 299.7537 -138.3778 -105.2705 559746.7424 -1.5706 -1.5156 LDB: ============= START OF LOAD BALANCING ============== 12926.2 LDB: ============== END OF LOAD BALANCING =============== 12926.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12926.2 LDB: ============= START OF LOAD BALANCING ============== 12926.5 LDB: Largest compute 4773 load 0.025394 is 21.5% of average load 0.118104 LDB: Average compute 0.001728 is 1.5% of average load 0.118104 LDB: TIME 12926.5 LOAD: AVG 0.118104 MAX 0.178986 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.113 MB LDB: TIME 12926.5 LOAD: AVG 0.118104 MAX 0.178986 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.113 MB LDB: TIME 12926.5 LOAD: AVG 0.118104 MAX 0.178986 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.113 MB LDB: ============== END OF LOAD BALANCING =============== 12926.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12926.5 PRESSURE: 4464400 -117.846 14.0415 63.3422 14.042 -405.707 7.93923 63.3413 7.93667 -197.549 GPRESSURE: 4464400 -90.5706 134.611 41.0939 -60.9001 -279.225 13.5879 82.5458 53.4508 -250.817 PRESSAVG: 4464400 -8.05266 -105.12 45.2252 -105.12 0.52644 -58.9732 45.2251 -58.9732 20.9995 GPRESSAVG: 4464400 -9.04555 -106.13 45.551 -105.836 0.548757 -57.0808 45.1309 -57.3245 21.8207 TIMING: 4464400 CPU: 12923.4, 0.0029331/step Wall: 12923.4, 0.0029331/step, 0.436379 hours remaining, 211.203125 MB of memory in use. ENERGY: 4464400 747.0785 2073.9298 1918.2224 122.4486 -205215.5439 17188.1900 0.0000 0.0000 34336.6447 -148829.0299 299.8705 -183165.6746 -148724.1870 299.9346 -240.3677 -206.8708 558479.7813 4.4911 4.4413 PRESSURE: 4464600 -307.056 -208.034 203.57 -208.034 -111.768 -62.689 203.569 -62.6906 -91.3714 GPRESSURE: 4464600 -283.252 -160.724 197.773 -119.143 -76.0712 22.2539 247.813 -101.302 -54.5869 PRESSAVG: 4464600 20.1648 -63.8093 24.314 -63.8094 35.7866 -14.9458 24.3141 -14.9459 -61.3786 GPRESSAVG: 4464600 19.9583 -64.8065 25.0191 -61.7391 35.6913 -14.8436 23.1738 -15.4023 -61.3287 TIMING: 4464600 CPU: 12924, 0.00287865/step Wall: 12924, 0.00287865/step, 0.428119 hours remaining, 211.203125 MB of memory in use. ENERGY: 4464600 738.0424 2048.8799 1970.6110 119.0148 -205370.4556 17478.5013 0.0000 0.0000 34270.3920 -148745.0141 299.2919 -183015.4061 -148650.8786 300.4058 -170.0651 -137.9700 560231.5707 -1.8091 -1.8930 PRESSURE: 4464800 -302.887 -95.7082 -1.8307 -95.7089 -198.434 115.607 -1.82997 115.607 -141.222 GPRESSURE: 4464800 -216.416 -52.915 133.975 -91.8854 -212.331 139.551 -23.3351 58.9218 -117.327 PRESSAVG: 4464800 -19.6493 -22.0922 -11.651 -22.0922 -17.989 28.5706 -11.6511 28.5707 16.6255 GPRESSAVG: 4464800 -18.7116 -22.4948 -11.2634 -22.7122 -18.6617 26.4712 -12.0237 29.5696 17.2309 TIMING: 4464800 CPU: 12924.6, 0.00290232/step Wall: 12924.6, 0.00290232/step, 0.431478 hours remaining, 211.203125 MB of memory in use. ENERGY: 4464800 751.9127 2081.7022 1951.2992 111.6863 -205815.3647 17592.7804 0.0000 0.0000 34429.6684 -148896.3156 300.6829 -183325.9839 -148797.6265 299.6445 -214.1809 -182.0245 559923.0896 -7.0043 -6.7142 PRESSURE: 4465000 -25.1745 89.923 -1.50136 89.9238 85.3903 16.4559 -1.50138 16.4552 -30.145 GPRESSURE: 4465000 -20.5332 105.55 -5.45444 45.2627 100.708 -46.3706 -25.365 10.8519 39.0496 PRESSAVG: 4465000 -13.5107 -20.7399 -2.42862 -20.7398 -69.2903 35.1702 -2.42869 35.1703 88.5019 GPRESSAVG: 4465000 -14.5528 -20.7265 -3.43794 -20.6567 -68.4443 34.9283 -1.84086 34.7276 87.9146 TIMING: 4465000 CPU: 12925.2, 0.00288213/step Wall: 12925.2, 0.00288213/step, 0.428317 hours remaining, 211.203125 MB of memory in use. ENERGY: 4465000 781.5541 2104.8159 1958.7899 113.8070 -205923.5677 17840.0530 0.0000 0.0000 34215.1806 -148909.3673 298.8097 -183124.5479 -148823.1208 300.4273 10.0236 39.7413 557852.3455 1.9003 1.6392 PRESSURE: 4465200 -33.5786 -55.1007 -36.2782 -55.0998 116.11 130.458 -36.2793 130.459 156.191 GPRESSURE: 4465200 -49.3505 5.30952 -98.6763 -47.8888 141.87 176.782 -29.8489 96.4148 226.51 PRESSAVG: 4465200 -66.9251 -23.0068 -100.065 -23.0069 9.37031 -6.18293 -100.065 -6.18294 63.9628 GPRESSAVG: 4465200 -67.1779 -23.5539 -99.414 -23.4544 9.70853 -6.29526 -99.5302 -5.77754 63.6603 TIMING: 4465200 CPU: 12925.8, 0.00287787/step Wall: 12925.8, 0.00287787/step, 0.427524 hours remaining, 211.203125 MB of memory in use. ENERGY: 4465200 720.7180 2116.2531 1952.2604 110.5438 -206101.3521 17819.6795 0.0000 0.0000 34535.8308 -148846.0665 301.6100 -183381.8973 -148746.0514 299.4950 79.5740 106.3431 556585.8590 2.1360 2.0637 PRESSURE: 4465400 -229.456 162.69 -9.96023 162.689 -214.095 -86.1436 -9.96062 -86.1456 -102.106 GPRESSURE: 4465400 -170.492 233.191 -1.26829 145.127 -203.553 -94.6669 36.6342 -43.042 -78.6474 PRESSAVG: 4465400 -131.036 7.04949 -6.19203 7.04943 77.5646 3.57832 -6.19215 3.57825 71.8868 GPRESSAVG: 4465400 -130.019 7.18346 -7.77304 6.83424 77.144 6.8107 -3.90772 1.43667 71.2898 TIMING: 4465400 CPU: 12926.3, 0.0029013/step Wall: 12926.3, 0.0029013/step, 0.430843 hours remaining, 211.203125 MB of memory in use. ENERGY: 4465400 745.8712 2100.2366 1945.2969 105.8409 -205640.3008 17522.7574 0.0000 0.0000 34219.5432 -149000.7546 298.8478 -183220.2978 -148904.4842 300.1530 -181.8858 -150.8972 556640.6458 6.1384 6.1383 PRESSURE: 4465600 -40.5501 18.5792 107.746 18.5792 -16.9661 -142.193 107.746 -142.193 -81.9969 GPRESSURE: 4465600 3.98467 29.8987 72.3579 -80.954 -25.2349 -144.474 18.3798 -178.874 -16.048 PRESSAVG: 4465600 -72.7071 32.8518 -40.3985 32.8518 2.25687 -28.7701 -40.3985 -28.7702 105.846 GPRESSAVG: 4465600 -72.689 33.6698 -38.6608 33.8859 2.02329 -32.1799 -43.1923 -27.3891 106.64 TIMING: 4465600 CPU: 12926.9, 0.00289387/step Wall: 12926.9, 0.00289387/step, 0.429578 hours remaining, 211.203125 MB of memory in use. ENERGY: 4465600 760.0211 2047.9036 1958.5751 114.4587 -205871.4295 17707.0739 0.0000 0.0000 34291.3843 -148992.0128 299.4752 -183283.3971 -148900.4700 299.8566 -46.5044 -12.4328 557053.6862 11.7986 11.9914 PRESSURE: 4465800 -11.0535 61.3576 -14.2445 61.3577 -159.581 -56.579 -14.2429 -56.5797 -140.731 GPRESSURE: 4465800 -8.17048 54.6744 71.241 93.972 -100.177 -27.7237 42.1863 -65.8758 -112.736 PRESSAVG: 4465800 -19.8204 50.5752 -23.377 50.5752 2.97566 -57.0588 -23.3771 -57.0587 12.4473 GPRESSAVG: 4465800 -20.3321 49.8541 -24.2779 50.9664 3.76316 -54.8983 -22.8782 -58.187 12.3376 TIMING: 4465800 CPU: 12927.5, 0.00287748/step Wall: 12927.5, 0.00287748/step, 0.426987 hours remaining, 211.203125 MB of memory in use. ENERGY: 4465800 806.8723 2028.5505 1931.6608 123.6363 -205965.0656 17691.1961 0.0000 0.0000 34445.1735 -148937.9760 300.8183 -183383.1495 -148844.6622 299.7140 -103.7885 -73.6944 556515.8201 -1.4658 -1.4104 PRESSURE: 4466000 -72.9357 -23.7885 42.5452 -23.7884 135.15 110.132 42.5454 110.131 -100.344 GPRESSURE: 4466000 -100.047 -47.4409 47.9562 -69.5322 150.297 115.731 53.8345 41.6034 0.363964 PRESSAVG: 4466000 -7.11625 16.74 -22.2223 16.7399 62.5497 20.2036 -22.2222 20.2035 -36.8582 GPRESSAVG: 4466000 -8.05951 16.8158 -21.1898 15.1717 63.0053 18.3665 -22.5261 22.6201 -36.622 TIMING: 4466000 CPU: 12928.1, 0.00287324/step Wall: 12928.1, 0.00287324/step, 0.426197 hours remaining, 211.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4466000 754.9536 2043.8959 1953.7795 132.8395 -205744.9824 17724.4794 0.0000 0.0000 34304.0376 -148830.9969 299.5857 -183135.0345 -148736.1119 300.1777 -12.7100 16.8713 557788.0210 6.1918 6.1079 PRESSURE: 4466200 -27.1707 -29.4109 27.4413 -29.4108 -128.762 11.022 27.4411 11.0223 -9.90293 GPRESSURE: 4466200 72.9455 -52.8834 40.2224 26.943 -104.803 -12.5714 46.287 42.0544 -48.0827 PRESSAVG: 4466200 11.0391 1.08609 1.60255 1.08606 -25.6771 -65.8634 1.6025 -65.8634 13.3975 GPRESSAVG: 4466200 11.3969 0.796172 1.12203 2.34515 -25.4644 -64.2614 1.48704 -68.562 13.1152 TIMING: 4466200 CPU: 12928.6, 0.00289173/step Wall: 12928.6, 0.00289173/step, 0.428779 hours remaining, 211.203125 MB of memory in use. ENERGY: 4466200 736.8608 2157.4067 1922.9781 120.9969 -205551.8825 17518.9604 0.0000 0.0000 34206.0824 -148888.5972 298.7302 -183094.6796 -148787.9578 299.7332 -55.2786 -26.6468 559292.9432 -0.4135 -0.3174 PRESSURE: 4466400 118.138 111.416 -29.2279 111.416 -43.4121 25.0328 -29.2266 25.033 157.3 GPRESSURE: 4466400 174.093 57.5627 135.385 126.388 -13.6443 56.8372 -48.7173 19.1253 166.384 PRESSAVG: 4466400 -35.8958 -39.5249 -39.3201 -39.525 7.50978 3.94724 -39.32 3.94711 30.2264 GPRESSAVG: 4466400 -37.3511 -41.2201 -38.0696 -37.7249 8.64301 3.57986 -40.5934 4.79432 30.3675 TIMING: 4466400 CPU: 12929.2, 0.00290122/step Wall: 12929.2, 0.00290122/step, 0.430026 hours remaining, 211.203125 MB of memory in use. ENERGY: 4466400 731.2782 2089.0400 1950.2561 115.5315 -206144.4022 17823.2593 0.0000 0.0000 34399.4762 -149035.5609 300.4192 -183435.0371 -148935.0157 299.7583 77.3422 108.9441 556234.5752 0.6135 0.5531 PRESSURE: 4466600 -107.213 -40.992 198.435 -40.9916 -53.0571 69.5211 198.435 69.5211 -189.571 GPRESSURE: 4466600 -71.1622 -67.1673 182.25 -87.7406 -32.9332 82.7681 130.418 141.531 -137.194 PRESSAVG: 4466600 32.5599 33.0415 -19.5877 33.0416 -49.2896 -3.72969 -19.5876 -3.7297 35.2974 GPRESSAVG: 4466600 32.0305 36.3279 -20.7049 30.7162 -50.7006 -4.49046 -19.9988 -3.74414 37.1013 TIMING: 4466600 CPU: 12929.8, 0.0028928/step Wall: 12929.8, 0.0028928/step, 0.428617 hours remaining, 211.203125 MB of memory in use. ENERGY: 4466600 718.3024 2149.5908 1942.3283 117.4472 -206154.0034 17722.9993 0.0000 0.0000 34341.5556 -149161.7798 299.9133 -183503.3354 -149068.6104 299.4236 -116.6139 -80.4297 558275.6711 6.1892 6.1437 PRESSURE: 4466800 -260.095 10.8545 -57.8075 10.8543 -261.188 43.8931 -57.8065 43.8954 -182.568 GPRESSURE: 4466800 -241.819 108.51 -11.3503 -40.6429 -214.014 78.056 31.0529 94.166 -164.379 PRESSAVG: 4466800 -13.0064 -0.474225 19.2582 -0.474168 -9.24685 -50.031 19.2582 -50.0311 21.3777 GPRESSAVG: 4466800 -11.7973 -0.239118 19.0984 0.728988 -8.99017 -50.3489 20.3814 -49.4647 19.4431 TIMING: 4466800 CPU: 12930.4, 0.0028951/step Wall: 12930.4, 0.0028951/step, 0.428796 hours remaining, 211.203125 MB of memory in use. ENERGY: 4466800 743.6668 2114.4231 1936.6850 109.3052 -205733.9828 17322.2340 0.0000 0.0000 34295.9765 -149211.6921 299.5153 -183507.6686 -149114.6773 299.3960 -234.6169 -206.7372 558222.3054 -0.2919 -0.4481 PRESSURE: 4467000 30.8293 102.055 93.9938 102.054 -292.148 -94.0969 93.9932 -94.0954 -67.4912 GPRESSURE: 4467000 51.1424 145.098 63.4061 75.3427 -183.558 -93.4077 173.701 -123.377 -97.245 PRESSAVG: 4467000 12.7747 40.1959 -40.7579 40.1958 -18.6907 -48.6334 -40.7579 -48.6334 -31.0415 GPRESSAVG: 4467000 11.7331 38.8678 -42.7817 41.6218 -18.1643 -50.9027 -38.0595 -49.0087 -31.2646 TIMING: 4467000 CPU: 12931, 0.00289818/step Wall: 12931, 0.00289818/step, 0.429091 hours remaining, 211.203125 MB of memory in use. ENERGY: 4467000 746.2147 2122.0144 1920.7036 118.0956 -206101.2499 17712.3320 0.0000 0.0000 34235.8773 -149246.0123 298.9904 -183481.8896 -149146.9962 299.4401 -109.6034 -76.5536 558143.2465 -12.3192 -12.5653 PRESSURE: 4467200 -107.175 127.044 145.562 127.042 11.5279 150.343 145.562 150.342 -169.504 GPRESSURE: 4467200 3.91665 142.624 141.044 111.36 -30.0809 130.176 146.694 151.001 -128.002 PRESSAVG: 4467200 -27.9017 15.5718 -16.3716 15.5718 82.9187 9.35792 -16.3717 9.35793 -5.17911 GPRESSAVG: 4467200 -27.2011 13.6515 -14.2202 16.5409 82.2761 12.3682 -19.5424 7.65438 -4.60502 TIMING: 4467200 CPU: 12931.5, 0.00287858/step Wall: 12931.5, 0.00287858/step, 0.426029 hours remaining, 211.203125 MB of memory in use. ENERGY: 4467200 780.6113 2113.1026 1948.2322 122.1494 -206441.9808 17877.2897 0.0000 0.0000 34355.7646 -149244.8309 300.0374 -183600.5955 -149149.6703 299.6897 -88.3837 -51.3886 557439.2044 16.6126 16.8233 PRESSURE: 4467400 5.02455 116.427 -211.268 116.427 -113.938 58.1562 -211.268 58.156 -249.525 GPRESSURE: 4467400 -48.5696 87.1851 -147.128 125.873 -42.9289 36.9978 -312.447 82.5036 -161.137 PRESSAVG: 4467400 45.2341 33.9194 -14.3006 33.9194 21.7927 0.0111379 -14.3006 0.0110648 -90.4151 GPRESSAVG: 4467400 44.3777 37.8801 -15.1022 32.6314 21.7177 -1.0777 -12.6804 3.00272 -89.495 TIMING: 4467400 CPU: 12932.1, 0.00287585/step Wall: 12932.1, 0.00287585/step, 0.425466 hours remaining, 211.203125 MB of memory in use. ENERGY: 4467400 754.7819 2084.8971 1943.6745 119.1473 -206167.3954 17724.6779 0.0000 0.0000 34152.7615 -149387.4553 298.2646 -183540.2168 -149289.0942 298.9585 -119.4794 -84.2119 558352.8813 -7.7961 -7.7999 PRESSURE: 4467600 244.35 77.3159 99.3485 77.3139 84.1082 178.377 99.3484 178.376 137.405 GPRESSURE: 4467600 304.476 -19.3815 148.929 76.8546 65.1968 183.216 108.585 207.11 203.058 PRESSAVG: 4467600 -0.251155 41.8314 -31.6824 41.8314 -29.1225 -9.36345 -31.6825 -9.3634 44.2366 GPRESSAVG: 4467600 0.522268 39.7755 -29.9989 40.2699 -29.1737 -8.42234 -32.5001 -9.63614 43.4323 TIMING: 4467600 CPU: 12932.7, 0.00287926/step Wall: 12932.7, 0.00287926/step, 0.425811 hours remaining, 211.203125 MB of memory in use. ENERGY: 4467600 726.5895 2160.1661 1955.0186 101.6203 -206548.4301 18058.4865 0.0000 0.0000 34024.4488 -149522.1004 297.1440 -183546.5491 -149428.6075 298.8226 155.2876 190.9103 557007.0894 4.9543 4.9270 PRESSURE: 4467800 -39.2026 68.0168 -14.75 68.0178 118.121 -118.921 -14.7505 -118.921 -49.9545 GPRESSURE: 4467800 35.1181 122.369 -5.41853 25.2114 98.6712 -95.8898 -90.583 -100.187 0.923543 PRESSAVG: 4467800 -0.976302 -3.73308 43.0071 -3.73306 -4.88087 -32.3151 43.0072 -32.3151 0.0264443 GPRESSAVG: 4467800 -0.850789 -4.29422 43.2221 -1.21269 -4.83758 -31.6539 42.4523 -34.5979 0.316984 TIMING: 4467800 CPU: 12933.3, 0.0028845/step Wall: 12933.3, 0.0028845/step, 0.426426 hours remaining, 211.203125 MB of memory in use. ENERGY: 4467800 726.0202 2031.7865 1947.2414 117.2889 -206672.8022 18068.6117 0.0000 0.0000 34349.3552 -149432.4984 299.9815 -183781.8536 -149332.8039 297.8283 9.6548 44.9043 558433.3164 -1.9436 -1.7905 PRESSURE: 4468000 -139.315 117.018 129.417 117.016 -78.258 -16.8141 129.417 -16.8158 11.9771 GPRESSURE: 4468000 -144.704 84.1249 113.568 63.5598 -19.5605 9.43172 99.8035 -67.2926 64.5361 PRESSAVG: 4468000 32.9708 20.9718 29.6997 20.9719 14.6369 24.445 29.6997 24.4449 -62.7222 GPRESSAVG: 4468000 32.3708 22.6762 28.2295 17.5051 15.339 23.7441 29.3985 25.0532 -62.8226 TIMING: 4468000 CPU: 12933.8, 0.00288539/step Wall: 12933.8, 0.00288539/step, 0.426397 hours remaining, 211.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4468000 714.6525 2060.8552 1951.4924 120.6194 -206055.6863 17685.2168 0.0000 0.0000 34239.9826 -149282.8674 299.0263 -183522.8500 -149192.5267 298.6103 -68.5319 -33.2429 557722.3206 -5.0382 -5.0376 PRESSURE: 4468200 -94.5682 -37.0649 -33.1287 -37.0656 132.287 -87.7056 -33.1279 -87.7055 19.3486 GPRESSURE: 4468200 -112.17 -53.0644 -63.5076 -3.30587 170.804 -124.053 -16.5835 -35.5279 85.6854 PRESSAVG: 4468200 -28.8721 19.0095 38.3108 19.0096 28.1016 -17.5109 38.3108 -17.5109 -45.9185 GPRESSAVG: 4468200 -27.4377 18.7018 39.1744 21.0927 26.9268 -17.1722 39.2599 -18.3489 -45.8549 TIMING: 4468200 CPU: 12934.4, 0.002911/step Wall: 12934.4, 0.002911/step, 0.43002 hours remaining, 211.203125 MB of memory in use. ENERGY: 4468200 738.0013 2084.0880 1944.8728 115.1893 -206252.2380 17752.6402 0.0000 0.0000 34426.8822 -149190.5642 300.6585 -183617.4464 -149087.9239 299.4721 19.0224 48.1067 556378.0318 -15.5630 -15.4553 LDB: ============= START OF LOAD BALANCING ============== 12937.8 LDB: ============== END OF LOAD BALANCING =============== 12937.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12937.8 LDB: ============= START OF LOAD BALANCING ============== 12938.1 LDB: Largest compute 4773 load 0.025593 is 21.7% of average load 0.118043 LDB: Average compute 0.001731 is 1.5% of average load 0.118043 LDB: TIME 12938.1 LOAD: AVG 0.118043 MAX 0.178533 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.125 MB LDB: TIME 12938.1 LOAD: AVG 0.118043 MAX 0.178533 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: TIME 12938.1 LOAD: AVG 0.118043 MAX 0.178533 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.328 MB LDB: ============== END OF LOAD BALANCING =============== 12938.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12938.1 PRESSURE: 4468400 104.679 -79.7056 89.7486 -79.705 96.9822 125.423 89.7484 125.423 -98.217 GPRESSURE: 4468400 68.4162 18.4026 84.7326 -107.738 175.005 38.5387 -20.4493 209.461 -50.8828 PRESSAVG: 4468400 13.2156 13.0206 -9.56942 13.0207 91.9694 -21.5831 -9.56949 -21.5831 -89.3085 GPRESSAVG: 4468400 12.527 12.4781 -10.2465 14.4722 91.9518 -19.1953 -10.5344 -20.6219 -88.9462 TIMING: 4468400 CPU: 12935, 0.00292783/step Wall: 12935, 0.00292783/step, 0.432343 hours remaining, 210.613281 MB of memory in use. ENERGY: 4468400 726.0915 2083.1814 1915.4072 107.4123 -206394.2231 17927.6647 0.0000 0.0000 34255.2750 -149379.1908 299.1598 -183634.4659 -149276.5163 298.5393 34.4815 64.1795 558423.3837 5.2921 5.1775 PRESSURE: 4468600 -27.174 159.523 219.708 159.524 265.246 -49.6297 219.708 -49.6298 -182.706 GPRESSURE: 4468600 3.58176 177.696 222.555 171.877 279.404 -83.9848 189.907 -34.5718 -119.433 PRESSAVG: 4468600 -8.40004 -20.5841 15.5799 -20.5841 56.0992 -55.5978 15.5798 -55.5979 -42.3892 GPRESSAVG: 4468600 -7.30805 -21.4233 16.3428 -21.5263 55.9853 -59.0617 15.6643 -53.8902 -43.2518 TIMING: 4468600 CPU: 12935.6, 0.00289483/step Wall: 12935.6, 0.00289483/step, 0.427309 hours remaining, 210.613281 MB of memory in use. ENERGY: 4468600 738.1668 2136.2567 1958.6645 123.0088 -206254.6258 17937.5374 0.0000 0.0000 34081.7620 -149279.2295 297.6445 -183360.9915 -149186.9171 299.1417 18.4553 54.5178 559177.1487 1.7700 1.8085 PRESSURE: 4468800 153.465 -33.8457 -8.47598 -33.8451 -5.07963 211.731 -8.47677 211.732 12.8426 GPRESSURE: 4468800 213.735 -110.576 -57.8824 52.9078 43.4897 144.624 53.1106 180.614 9.86368 PRESSAVG: 4468800 -42.4079 -20.6257 39.8181 -20.6257 19.9886 -3.02487 39.8181 -3.02482 -14.9731 GPRESSAVG: 4468800 -43.2496 -19.906 38.8587 -20.591 20.8669 0.419006 40.6759 -7.07145 -14.6678 TIMING: 4468800 CPU: 12936.2, 0.00289316/step Wall: 12936.2, 0.00289316/step, 0.426902 hours remaining, 210.613281 MB of memory in use. ENERGY: 4468800 743.6583 2080.0634 1939.9660 114.6975 -206728.0247 18138.8920 0.0000 0.0000 34298.0160 -149412.7315 299.5331 -183710.7476 -149323.5033 298.9216 53.7427 89.0294 558794.3645 -12.4641 -12.3502 PRESSURE: 4469000 -119.846 -39.3613 -8.10078 -39.3613 -301.387 9.1694 -8.10062 9.16849 -131.846 GPRESSURE: 4469000 -48.1502 -50.2344 32.1918 -27.0855 -353.974 53.8181 -41.7366 -41.6593 -43.5717 PRESSAVG: 4469000 -18.8529 -52.2716 38.3781 -52.2716 -2.3087 -47.8279 38.378 -47.8277 59.8298 GPRESSAVG: 4469000 -19.3966 -52.6155 39.8767 -53.8157 -2.32451 -48.507 37.9155 -47.0513 60.3898 TIMING: 4469000 CPU: 12936.7, 0.00286838/step Wall: 12936.7, 0.00286838/step, 0.423086 hours remaining, 210.613281 MB of memory in use. ENERGY: 4469000 724.4082 2121.0399 1937.7758 133.6665 -205772.6100 17462.2851 0.0000 0.0000 34103.9610 -149289.4735 297.8384 -183393.4345 -149196.9691 298.5663 -184.3597 -148.5651 558797.3589 12.8894 12.8896 PRESSURE: 4469200 -261.39 65.6232 82.0379 65.6232 -278.803 0.306004 82.0378 0.306051 -97.1998 GPRESSURE: 4469200 -244.09 48.5034 32.8837 91.6005 -196.197 -25.7916 104.311 43.0267 -103.176 PRESSAVG: 4469200 -1.18154 -4.5334 80.6977 -4.53346 7.1236 53.325 80.6977 53.3251 2.73019 GPRESSAVG: 4469200 -0.98345 -4.53691 78.0783 -3.38891 6.5911 49.3315 81.4533 55.1727 3.48873 TIMING: 4469200 CPU: 12937.3, 0.00287317/step Wall: 12937.3, 0.00287317/step, 0.423633 hours remaining, 210.613281 MB of memory in use. ENERGY: 4469200 764.1436 2091.0435 1923.0660 118.4495 -205673.7500 17461.9632 0.0000 0.0000 34065.4286 -149249.6556 297.5019 -183315.0842 -149151.2930 298.6162 -212.4644 -181.1542 559076.1419 2.8907 3.0321 PRESSURE: 4469400 -112.889 -8.19785 165.438 -8.19797 71.8365 -15.3311 165.438 -15.3307 -12.3913 GPRESSURE: 4469400 -46.9628 -43.7811 233.874 15.2723 83.2256 45.8933 98.0546 -76.3745 3.77995 PRESSAVG: 4469400 8.3262 -20.9075 49.6955 -20.9075 -0.191129 -54.2405 49.6955 -54.2406 2.2904 GPRESSAVG: 4469400 9.41822 -20.7922 51.8471 -22.3051 0.756091 -52.5709 47.9695 -54.728 0.571454 TIMING: 4469400 CPU: 12937.9, 0.00286506/step Wall: 12937.9, 0.00286506/step, 0.422278 hours remaining, 210.613281 MB of memory in use. ENERGY: 4469400 769.0323 2034.1510 1935.4973 113.2353 -206370.6167 17928.8255 0.0000 0.0000 34197.8750 -149392.0002 298.6585 -183589.8752 -149299.4102 298.2962 -17.8145 13.3476 556988.7369 3.4752 3.5819 PRESSURE: 4469600 -239.688 -9.03177 -78.6018 -9.03237 -249.632 33.2927 -78.6008 33.2909 -314.175 GPRESSURE: 4469600 -208.058 -18.1752 -13.0001 25.2029 -226.456 66.8482 -29.6539 41.8881 -263.321 PRESSAVG: 4469600 -48.406 -14.504 16.8798 -14.5041 54.4779 13.0708 16.8798 13.0708 17.0925 GPRESSAVG: 4469600 -48.5596 -13.259 15.8864 -15.1855 55.6747 15.1887 16.7472 13.6486 17.0727 TIMING: 4469600 CPU: 12938.5, 0.00286135/step Wall: 12938.5, 0.00286135/step, 0.421572 hours remaining, 210.613281 MB of memory in use. ENERGY: 4469600 759.3328 2065.3601 1931.6929 112.3863 -206139.0184 17571.1685 0.0000 0.0000 34380.6886 -149318.3891 300.2551 -183699.0777 -149213.2735 298.7797 -267.8321 -232.6117 557230.7641 7.7215 8.0626 PRESSURE: 4469800 -96.8762 -25.864 -41.0941 -25.8651 -24.8785 -168.094 -41.094 -168.094 209.568 GPRESSURE: 4469800 -76.7955 -51.7665 -18.935 28.4913 -17.6192 -180.377 -51.3722 -154.981 281.385 PRESSAVG: 4469800 -11.9965 5.82312 -4.74968 5.82317 37.5239 -33.0554 -4.74971 -33.0554 9.30586 GPRESSAVG: 4469800 -10.797 6.0773 -3.93026 5.92172 36.0027 -34.4528 -4.87404 -33.9092 10.1597 TIMING: 4469800 CPU: 12939, 0.00286552/step Wall: 12939, 0.00286552/step, 0.422027 hours remaining, 210.613281 MB of memory in use. ENERGY: 4469800 750.9392 2111.8738 1934.6364 113.9792 -206199.4824 17781.1566 0.0000 0.0000 34271.0123 -149235.8850 299.2973 -183506.8973 -149134.9155 298.8638 29.2712 62.3234 555814.9089 11.6111 11.7884 PRESSURE: 4470000 -8.38146 156.575 12.5709 156.574 25.5378 11.834 12.5706 11.8333 43.9088 GPRESSURE: 4470000 23.8717 215.479 79.4789 174.084 10.6572 123.776 -26.0203 18.3344 114.595 PRESSAVG: 4470000 28.0565 27.2138 25.8973 27.2139 0.635456 -25.7646 25.8972 -25.7646 3.61296 GPRESSAVG: 4470000 27.1813 26.1953 25.7938 27.8962 0.846451 -24.2259 26.3014 -24.3653 3.6475 TIMING: 4470000 CPU: 12939.6, 0.00285986/step Wall: 12939.6, 0.00285986/step, 0.421035 hours remaining, 210.613281 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: 4470000 731.5749 2121.5479 1964.1690 120.6735 -206019.5325 17670.6245 0.0000 0.0000 34174.9091 -149236.0336 298.4580 -183410.9427 -149142.9224 299.3249 20.3551 49.7081 557535.1211 10.7683 10.5584 PRESSURE: 4470200 -1.92752 23.5613 152.038 23.5611 -55.2507 -82.1872 152.038 -82.1885 101.879 GPRESSURE: 4470200 73.1806 82.424 189.007 -52.4362 -19.5823 -115.078 106.249 -46.5948 77.7748 PRESSAVG: 4470200 44.6948 -48.7776 29.0396 -48.7776 -23.4379 12.9501 29.0397 12.9503 -59.9515 GPRESSAVG: 4470200 45.0289 -49.7516 28.1481 -47.3293 -24.3734 11.998 30.2002 12.5216 -59.3459 TIMING: 4470200 CPU: 12940.2, 0.00285889/step Wall: 12940.2, 0.00285889/step, 0.420734 hours remaining, 210.613281 MB of memory in use. ENERGY: 4470200 730.5009 2119.3384 1968.6158 117.9419 -205915.9419 17596.0783 0.0000 0.0000 34201.0303 -149182.4364 298.6861 -183383.4667 -149086.0290 299.1892 14.9002 43.7910 557330.8276 -12.8982 -12.8968 PRESSURE: 4470400 27.1721 -317.081 -61.0588 -317.081 363.113 210.67 -61.0608 210.667 -70.375 GPRESSURE: 4470400 116.598 -312.281 -67.8235 -309.365 328.131 180.969 -4.17948 253.145 -15.7999 PRESSAVG: 4470400 60.2494 -24.4437 76.5983 -24.4436 -58.7199 0.109364 76.5982 0.109461 -30.9921 GPRESSAVG: 4470400 59.4719 -24.1388 78.0175 -23.1297 -58.4232 0.616325 74.6997 -1.23766 -30.9874 TIMING: 4470400 CPU: 12940.8, 0.00286016/step Wall: 12940.8, 0.00286016/step, 0.420762 hours remaining, 210.613281 MB of memory in use. ENERGY: 4470400 717.7177 2124.2242 1909.5861 106.2461 -206292.1329 17895.2014 0.0000 0.0000 34484.1232 -149055.0342 301.1584 -183539.1574 -148956.3076 299.7156 106.6367 142.9763 556930.9019 -9.8209 -9.9796 PRESSURE: 4470600 -172.168 33.2451 50.592 33.2459 73.462 134.342 50.5898 134.341 233.088 GPRESSURE: 4470600 -121.682 49.0321 65.2476 5.3112 105.361 174.214 62.7417 96.9104 246.132 PRESSAVG: 4470600 1.28157 -71.6038 14.8589 -71.6038 1.48648 -1.37619 14.8588 -1.37627 -28.6328 GPRESSAVG: 4470600 2.23963 -70.3886 14.7439 -74.7147 2.22482 -1.7223 16.013 -1.85396 -29.9307 TIMING: 4470600 CPU: 12941.3, 0.00286553/step Wall: 12941.3, 0.00286553/step, 0.421393 hours remaining, 210.613281 MB of memory in use. ENERGY: 4470600 722.2254 2099.3587 1917.8907 115.2276 -206342.0840 17988.4488 0.0000 0.0000 34268.9594 -149229.9735 299.2793 -183498.9329 -149134.9123 299.3304 44.7940 76.6036 557903.8568 -8.6216 -8.4887 PRESSURE: 4470800 7.29244 27.7377 -35.9654 27.7377 250.259 81.1575 -35.9658 81.1563 -154.816 GPRESSURE: 4470800 73.7538 -23.5719 -155.35 -13.5615 234.423 -0.94817 23.2865 40.2411 -98.9775 PRESSAVG: 4470800 -38.4766 1.42541 15.4917 1.4254 73.7587 -23.6813 15.4918 -23.6812 -48.2466 GPRESSAVG: 4470800 -38.3783 2.07848 14.8522 0.625151 72.2935 -25.0187 16.3753 -21.3085 -47.2299 TIMING: 4470800 CPU: 12941.9, 0.00288237/step Wall: 12941.9, 0.00288237/step, 0.423708 hours remaining, 210.613281 MB of memory in use. ENERGY: 4470800 749.2276 2050.2906 1938.1299 111.3353 -206147.2863 17734.5636 0.0000 0.0000 34227.0138 -149336.7254 298.9130 -183563.7392 -149240.6395 298.6899 34.2451 69.7332 557717.7943 -4.3215 -4.4382 PRESSURE: 4471000 -308.673 -203.627 174.846 -203.627 -170.197 93.3264 174.847 93.3257 -291.014 GPRESSURE: 4471000 -214.31 -121.25 141.805 -231.979 -210.791 96.6513 56.4974 112.365 -229.978 PRESSAVG: 4471000 -17.0739 -85.7623 56.6916 -85.7624 71.2579 -23.4967 56.6915 -23.4966 -15.3471 GPRESSAVG: 4471000 -17.3923 -85.9946 57.3804 -84.0675 71.5776 -23.1571 55.5904 -24.1774 -15.4704 TIMING: 4471000 CPU: 12942.5, 0.00289061/step Wall: 12942.5, 0.00289061/step, 0.424758 hours remaining, 210.613281 MB of memory in use. ENERGY: 4471000 735.9271 2066.9716 1908.0603 106.6910 -205872.7564 17403.1190 0.0000 0.0000 34207.9188 -149444.0685 298.7463 -183651.9874 -149342.7771 298.6222 -256.6280 -218.3595 557742.8810 12.9456 12.9050 PRESSURE: 4471200 -83.2532 77.8829 -86.6469 77.8834 -290.144 34.7854 -86.6462 34.7844 -327.516 GPRESSURE: 4471200 -78.6249 112.763 -182.565 -53.3691 -222.282 -7.37645 -81.8915 3.98678 -308.784 PRESSAVG: 4471200 79.3016 -20.4263 -6.69589 -20.4263 -56.541 -19.0025 -6.69586 -19.0024 -25.2024 GPRESSAVG: 4471200 78.4214 -21.0033 -8.71695 -18.4205 -56.2048 -18.1406 -5.0041 -22.3349 -25.2495 TIMING: 4471200 CPU: 12943.1, 0.00288209/step Wall: 12943.1, 0.00288209/step, 0.423347 hours remaining, 210.613281 MB of memory in use. ENERGY: 4471200 731.9411 2100.7275 1923.6490 105.3960 -205796.5114 17443.0602 0.0000 0.0000 34010.7318 -149481.0058 297.0242 -183491.7375 -149383.7385 298.6085 -233.6378 -203.2303 557528.3843 -0.8139 -1.0110 PRESSURE: 4471400 -138.403 -94.7108 -84.4921 -94.7109 -10.119 128.036 -84.4915 128.035 -345.053 GPRESSURE: 4471400 -139.16 -119.093 -11.0019 -57.7451 39.9484 162.711 -119.844 114.511 -298.803 PRESSAVG: 4471400 37.2584 36.3322 56.5777 36.3321 -21.9551 81.9058 56.5777 81.9058 -17.5978 GPRESSAVG: 4471400 36.3332 36.559 58.8161 35.869 -22.5379 80.0323 55.049 83.2978 -16.3879 TIMING: 4471400 CPU: 12943.6, 0.00287138/step Wall: 12943.6, 0.00287138/step, 0.421614 hours remaining, 210.613281 MB of memory in use. ENERGY: 4471400 759.9614 2073.3508 1956.3540 113.8110 -206160.2986 17641.5556 0.0000 0.0000 34217.3138 -149397.9520 298.8283 -183615.2659 -149305.3140 298.8004 -164.5252 -132.6716 557828.2720 -0.7648 -0.8642 PRESSURE: 4471600 -107.516 -78.7839 -173.348 -78.7855 -16.6689 -159.162 -173.348 -159.161 -196.887 GPRESSURE: 4471600 -120.794 -69.5097 -218.151 -83.0521 33.1579 -190.517 -240.62 -139.044 -137.961 PRESSAVG: 4471600 33.5523 2.48915 -48.8483 2.4891 -15.7359 22.4204 -48.8483 22.4204 3.47444 GPRESSAVG: 4471600 33.746 2.81307 -47.451 2.41633 -16.0545 23.2131 -49.86 23.3385 3.26398 TIMING: 4471600 CPU: 12944.2, 0.0028694/step Wall: 12944.2, 0.0028694/step, 0.421164 hours remaining, 210.613281 MB of memory in use. ENERGY: 4471600 732.3877 2047.9888 1964.2341 113.6811 -205955.0595 17578.1701 0.0000 0.0000 34308.0851 -149210.5126 299.6210 -183518.5977 -149111.3019 299.0919 -107.0241 -75.1991 557565.1658 7.0970 6.9852 PRESSURE: 4471800 -64.3581 -32.9969 -33.3338 -32.9967 -54.0384 -80.6427 -33.3343 -80.6419 -24.2452 GPRESSURE: 4471800 19.2189 -186.704 12.8881 79.9705 -57.4956 -96.9105 -85.8348 -88.6741 -13.5378 PRESSAVG: 4471800 15.9391 -5.1535 20.6074 -5.15353 -3.36198 -18.0026 20.6074 -18.0027 -22.7575 GPRESSAVG: 4471800 16.8437 -3.66343 19.682 -5.98082 -3.24704 -17.7238 21.4431 -18.9898 -23.9492 TIMING: 4471800 CPU: 12944.8, 0.00287594/step Wall: 12944.8, 0.00287594/step, 0.421964 hours remaining, 210.613281 MB of memory in use. ENERGY: 4471800 741.8573 2105.5369 1925.3795 117.8302 -206279.9915 17868.9724 0.0000 0.0000 34130.7995 -149389.6157 298.0728 -183520.4152 -149303.7299 298.8235 -47.5472 -17.2715 559134.7448 -3.3934 -3.4508 PRESSURE: 4472000 -171.842 110.88 57.9649 110.879 -99.2185 -24.3123 57.9651 -24.3112 -273.494 GPRESSURE: 4472000 -105.32 100.613 -9.4262 131.647 -100.391 -40.8732 141.312 8.5711 -231.719 PRESSAVG: 4472000 -20.2127 -6.83207 -9.9504 -6.83205 13.8024 -41.5589 -9.95046 -41.5589 -4.245 GPRESSAVG: 4472000 -20.949 -6.32565 -11.0174 -7.98233 14.3802 -39.4037 -9.56753 -40.866 -3.93886 TIMING: 4472000 CPU: 12945.4, 0.0028802/step Wall: 12945.4, 0.0028802/step, 0.422429 hours remaining, 210.613281 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: 4472000 728.1767 2052.3663 1935.0406 127.1214 -206553.5746 17807.6628 0.0000 0.0000 34450.7556 -149452.4512 300.8670 -183903.2068 -149354.7041 299.1598 -181.5181 -145.8098 556804.2547 -3.5518 -3.5025 PRESSURE: 4472200 -209.966 -222.824 -1.16787 -222.825 -103.478 -98.5027 -1.16773 -98.5027 -87.4198 GPRESSURE: 4472200 -166.491 -188.68 109.031 -175.808 -49.7938 -128.203 -44.4603 -41.6354 -83.7545 PRESSAVG: 4472200 -17.4367 21.8963 -37.3329 21.8963 0.46342 -47.0876 -37.333 -47.0876 0.293516 GPRESSAVG: 4472200 -16.3475 18.193 -35.0682 23.7379 -0.763679 -48.1136 -38.4686 -48.3598 0.87647 TIMING: 4472200 CPU: 12945.9, 0.0029014/step Wall: 12945.9, 0.0029014/step, 0.425378 hours remaining, 210.613281 MB of memory in use. ENERGY: 4472200 711.2753 2069.1780 1955.3572 115.5259 -205870.1481 17508.1270 0.0000 0.0000 33931.3083 -149579.3764 296.3306 -183510.6847 -149480.1174 298.7195 -133.6210 -100.0131 556539.7774 -5.5599 -5.4116 LDB: ============= START OF LOAD BALANCING ============== 12949.3 LDB: ============== END OF LOAD BALANCING =============== 12949.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12949.3 LDB: ============= START OF LOAD BALANCING ============== 12949.6 LDB: Largest compute 4773 load 0.026696 is 22.6% of average load 0.117935 LDB: Average compute 0.001728 is 1.5% of average load 0.117935 LDB: TIME 12949.6 LOAD: AVG 0.117935 MAX 0.178334 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.664 MB LDB: TIME 12949.6 LOAD: AVG 0.117935 MAX 0.178334 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.867 MB LDB: TIME 12949.6 LOAD: AVG 0.117935 MAX 0.178334 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12949.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12949.6 PRESSURE: 4472400 -249.924 142.521 -56.0363 142.521 109.937 -147.211 -56.0359 -147.212 46.4158 GPRESSURE: 4472400 -243.397 123.106 -57.8278 116.425 168.565 -65.8467 29.4905 -229.491 77.9181 PRESSAVG: 4472400 -47.9339 18.3767 -28.6007 18.3766 -31.9383 -50.1691 -28.6007 -50.1691 28.1105 GPRESSAVG: 4472400 -48.4798 20.9625 -29.3467 16.4162 -31.1652 -51.8296 -27.8401 -47.832 27.7894 TIMING: 4472400 CPU: 12946.5, 0.00295077/step Wall: 12946.5, 0.00295077/step, 0.432452 hours remaining, 209.910156 MB of memory in use. ENERGY: 4472400 739.4567 2095.6435 1963.9153 110.2113 -206338.5978 17743.0036 0.0000 0.0000 34164.0482 -149522.3191 298.3631 -183686.3673 -149432.4089 298.4825 -31.1905 1.0287 557076.2311 -17.2539 -17.2852 PRESSURE: 4472600 -27.0583 7.76773 23.0801 7.76842 81.1963 73.3945 23.0791 73.3941 106.174 GPRESSURE: 4472600 18.8112 -19.4744 119.747 19.1579 103.053 68.414 -65.3607 85.8189 130.271 PRESSAVG: 4472600 46.7501 75.9358 -81.3377 75.9357 -11.1071 -1.04414 -81.3376 -1.04421 -10.2869 GPRESSAVG: 4472600 46.0068 72.4484 -80.1098 77.4863 -10.4308 0.88967 -81.2854 -2.78214 -10.4652 TIMING: 4472600 CPU: 12947.1, 0.00288185/step Wall: 12947.1, 0.00288185/step, 0.422191 hours remaining, 210.152344 MB of memory in use. ENERGY: 4472600 768.1255 2024.9530 1939.6925 110.2942 -206532.7071 17891.7135 0.0000 0.0000 34057.8332 -149740.0951 297.4355 -183797.9284 -149647.9325 298.0399 53.4372 84.0451 555566.2400 8.4520 8.3703 PRESSURE: 4472800 44.7453 121.5 165.089 121.5 -324.177 34.2864 165.089 34.2861 -112.758 GPRESSURE: 4472800 44.8216 122.005 163.377 89.2252 -255.07 -38.5999 207.701 30.5973 -93.4209 PRESSAVG: 4472800 -2.44226 -17.194 35.1184 -17.1939 8.22903 -13.6986 35.1185 -13.6986 7.31833 GPRESSAVG: 4472800 -1.21512 -15.4677 31.8057 -17.7633 7.6354 -14.7137 36.7184 -11.8429 7.03671 TIMING: 4472800 CPU: 12947.7, 0.00290211/step Wall: 12947.7, 0.00290211/step, 0.424998 hours remaining, 210.152344 MB of memory in use. ENERGY: 4472800 739.1145 2114.6592 1938.9051 111.9378 -206317.9828 17689.7124 0.0000 0.0000 34175.7531 -149547.9006 298.4654 -183723.6537 -149451.4226 298.4678 -130.7300 -101.2230 557482.2226 4.3684 4.4857 PRESSURE: 4473000 -181.68 69.9987 171.965 69.9979 -108.487 25.6684 171.965 25.6656 188.503 GPRESSURE: 4473000 -123.432 77.2654 195.154 90.3161 -114.099 102.094 175.358 99.141 228.693 PRESSAVG: 4473000 -29.6796 19.819 99.6041 19.8189 -43.7967 46.2197 99.6041 46.2197 54.4454 GPRESSAVG: 4473000 -29.7715 19.9138 101.237 19.6092 -43.3503 46.756 98.5917 44.8828 54.5086 TIMING: 4473000 CPU: 12948.3, 0.00288758/step Wall: 12948.3, 0.00288758/step, 0.422709 hours remaining, 210.152344 MB of memory in use. ENERGY: 4473000 761.2282 2038.4743 1961.1355 95.6573 -206247.2551 17847.0787 0.0000 0.0000 34246.6003 -149297.0808 299.0841 -183543.6811 -149199.3244 299.4861 -33.8882 -2.9462 557277.8244 -6.3436 -6.2044 PRESSURE: 4473200 21.7255 160.775 -125.64 160.776 -167.2 -49.2379 -125.64 -49.2378 -44.0222 GPRESSURE: 4473200 54.4553 191.116 -114.901 75.4988 -198.166 -46.8284 -110.71 -69.8269 49.1014 PRESSAVG: 4473200 21.0938 38.7506 25.9011 38.7506 -6.73851 -21.4985 25.9011 -21.4986 -7.47261 GPRESSAVG: 4473200 20.9096 38.8358 26.7626 39.1353 -6.62684 -22.381 25.5537 -19.1481 -7.52601 TIMING: 4473200 CPU: 12948.8, 0.00290264/step Wall: 12948.8, 0.00290264/step, 0.424753 hours remaining, 210.152344 MB of memory in use. ENERGY: 4473200 735.1056 2081.9840 1966.4408 104.5291 -206531.3329 17925.7261 0.0000 0.0000 34410.3605 -149307.1869 300.5142 -183717.5474 -149203.2963 299.7927 -63.1655 -31.5363 557988.6613 2.2942 2.2522 PRESSURE: 4473400 25.7471 -120.829 -170.938 -120.828 -197.326 52.6771 -170.937 52.6779 -154.932 GPRESSURE: 4473400 31.2666 -184.399 -236.602 -135.804 -163.588 47.219 -166.351 19.3248 -100.976 PRESSAVG: 4473400 59.7929 -34.6446 3.85917 -34.6447 -42.5398 -13.7327 3.85917 -13.7327 -38.4845 GPRESSAVG: 4473400 59.6826 -36.3448 2.47932 -32.2825 -43.6543 -14.5742 2.93778 -14.4895 -37.3498 TIMING: 4473400 CPU: 12949.4, 0.00291605/step Wall: 12949.4, 0.00291605/step, 0.426553 hours remaining, 210.152344 MB of memory in use. ENERGY: 4473400 745.2774 2060.9919 1944.5115 119.8119 -205980.7377 17602.0081 0.0000 0.0000 34131.5757 -149376.5612 298.0795 -183508.1369 -149282.2889 299.1583 -108.8370 -77.7658 557270.6312 -7.0771 -7.1071 PRESSURE: 4473600 160.124 -25.0961 -91.1338 -25.0969 -94.2946 126.766 -91.1343 126.766 173.724 GPRESSURE: 4473600 192.458 -61.0733 -64.391 91.2392 -51.4365 58.9878 -15.7064 124.378 199.458 PRESSAVG: 4473600 76.8297 22.4998 -53.4712 22.4998 -76.8477 -3.33285 -53.4712 -3.33284 26.6807 GPRESSAVG: 4473600 75.8189 23.8896 -54.8075 21.3357 -76.0323 -1.66367 -51.6682 -5.71324 26.9693 TIMING: 4473600 CPU: 12950, 0.00290025/step Wall: 12950, 0.00290025/step, 0.424081 hours remaining, 210.152344 MB of memory in use. ENERGY: 4473600 713.5972 2104.9676 1975.7075 119.1717 -206393.5064 17922.5343 0.0000 0.0000 34335.4934 -149222.0348 299.8604 -183557.5283 -149130.4533 299.3125 79.8512 113.4932 558555.1834 8.8876 8.9186 PRESSURE: 4473800 -61.3394 -4.54053 -18.14 -4.54277 41.8078 -164.421 -18.1403 -164.423 -38.0277 GPRESSURE: 4473800 -35.3931 -17.2743 62.3868 33.576 118.393 -204.007 -58.1872 -115.575 -40.8768 PRESSAVG: 4473800 93.7936 9.16135 31.1118 9.16128 -18.6042 -8.93132 31.1118 -8.93133 -1.61365 GPRESSAVG: 4473800 96.4022 11.3778 32.359 7.99684 -19.3867 -9.03953 29.2945 -6.51912 -3.71655 TIMING: 4473800 CPU: 12950.6, 0.00288724/step Wall: 12950.6, 0.00288724/step, 0.422018 hours remaining, 210.152344 MB of memory in use. ENERGY: 4473800 758.2846 2097.2191 1970.4703 113.5814 -206282.3723 17864.3422 0.0000 0.0000 34395.8056 -149082.6691 300.3871 -183478.4747 -148991.1345 299.4078 -19.1864 14.0410 558487.1731 24.5252 24.4330 PRESSURE: 4474000 -27.9845 -51.1898 83.6246 -51.1906 -162.555 60.614 83.6241 60.6142 -142.562 GPRESSURE: 4474000 -33.3862 -87.2965 33.3763 -25.3958 -100.018 64.8053 66.7815 94.3232 -121.479 PRESSAVG: 4474000 -22.5692 -35.0747 54.7273 -35.0746 -82.8654 -24.7449 54.7272 -24.745 52.0337 GPRESSAVG: 4474000 -24.1867 -38.017 54.4782 -34.9569 -81.8484 -25.9602 55.2652 -26.1444 51.96 TIMING: 4474000 CPU: 12951.2, 0.00287995/step Wall: 12951.2, 0.00287995/step, 0.420793 hours remaining, 210.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4474000 764.2703 2117.5448 1955.0841 116.2130 -205832.2767 17634.0493 0.0000 0.0000 34328.6540 -148916.4611 299.8007 -183245.1151 -148817.7695 299.8678 -111.0339 -84.9609 557948.6073 -17.8003 -18.0250 PRESSURE: 4474200 -17.8169 -41.5197 24.2504 -41.5209 -174.808 -73.9348 24.2514 -73.9329 -206.588 GPRESSURE: 4474200 15.1691 30.6133 -30.6399 -99.1794 -144.132 -46.6628 57.2041 -111.477 -178.077 PRESSAVG: 4474200 17.1402 -21.7775 21.7192 -21.7774 -33.4713 -31.3953 21.7192 -31.3953 5.84063 GPRESSAVG: 4474200 17.8823 -19.5925 19.9844 -22.0483 -34.0576 -29.7209 23.1428 -32.3324 6.20523 TIMING: 4474200 CPU: 12951.7, 0.00287522/step Wall: 12951.7, 0.00287522/step, 0.419941 hours remaining, 210.152344 MB of memory in use. ENERGY: 4474200 778.8036 2145.1864 1969.2367 119.9466 -205851.1042 17571.6139 0.0000 0.0000 34313.4119 -148952.9050 299.6676 -183266.3170 -148860.5082 299.8228 -133.0710 -102.3465 557514.6953 -3.4968 -3.3233 PRESSURE: 4474400 -63.5924 54.5515 134.563 54.5532 75.5791 156.317 134.564 156.316 84.9116 GPRESSURE: 4474400 -40.1127 2.76752 144.346 47.4035 109.162 97.0874 150.796 179.938 124.722 PRESSAVG: 4474400 56.8744 35.3063 -58.7629 35.3062 46.1432 -30.0709 -58.7629 -30.071 -41.1927 GPRESSAVG: 4474400 56.2519 36.3336 -57.25 34.6733 45.1653 -30.3295 -59.0069 -30.8702 -39.9613 TIMING: 4474400 CPU: 12952.3, 0.00288554/step Wall: 12952.3, 0.00288554/step, 0.421289 hours remaining, 210.152344 MB of memory in use. ENERGY: 4474400 777.5615 2140.4159 1948.2443 100.8777 -206087.0970 17847.1548 0.0000 0.0000 34415.3417 -148857.5010 300.5577 -183272.8428 -148762.4484 300.3985 32.2994 64.5906 556527.7468 20.6083 20.4853 PRESSURE: 4474600 -46.8204 -10.2996 197.814 -10.3008 -94.7608 -0.912638 197.815 -0.912617 -231.183 GPRESSURE: 4474600 -12.7142 -6.08508 139.233 -47.1335 -61.9003 10.0123 241.929 -11.0137 -207.621 PRESSAVG: 4474600 10.2416 2.88869 14.6478 2.88867 -3.70024 5.03237 14.6478 5.03238 27.5187 GPRESSAVG: 4474600 9.61954 1.14266 15.7962 3.98262 -2.92693 5.57153 13.6044 5.77561 27.5912 TIMING: 4474600 CPU: 12952.9, 0.00290687/step Wall: 12952.9, 0.00290687/step, 0.424242 hours remaining, 210.152344 MB of memory in use. ENERGY: 4474600 785.1665 2130.7877 1913.2199 119.9223 -205849.7769 17452.8944 0.0000 0.0000 34413.4154 -149034.3706 300.5409 -183447.7860 -148935.0382 300.4966 -124.2548 -94.0786 556943.2695 11.3534 11.4279 PRESSURE: 4474800 156.216 -124.012 -89.208 -124.011 -67.7378 34.9595 -89.2083 34.9586 -129.772 GPRESSURE: 4474800 183.682 -86.0007 -68.5908 -114.539 -38.3086 9.56104 -59.2611 36.7427 -98.6621 PRESSAVG: 4474800 27.5986 -13.8108 30.0357 -13.8109 21.9816 37.4356 30.0357 37.4356 -24.8472 GPRESSAVG: 4474800 26.6075 -14.3507 28.8693 -12.7016 22.5495 39.0991 29.2555 35.8653 -24.4062 TIMING: 4474800 CPU: 12953.5, 0.00288376/step Wall: 12953.5, 0.00288376/step, 0.420709 hours remaining, 210.152344 MB of memory in use. ENERGY: 4474800 765.4966 2057.2726 1967.8059 110.0300 -206075.3266 17752.8061 0.0000 0.0000 34301.2454 -149120.6700 299.5613 -183421.9154 -149029.7305 300.0059 -13.7647 15.5706 558232.4411 8.2443 8.2503 PRESSURE: 4475000 152.802 -48.8892 -50.9755 -48.8894 -13.5195 87.7772 -50.976 87.7775 -320.771 GPRESSURE: 4475000 160.108 -53.7967 113.706 -89.5352 49.4262 66.664 -103.28 131.734 -296.979 PRESSAVG: 4475000 19.4224 11.0438 -41.6718 11.0438 17.9466 30.2115 -41.672 30.2115 -41.0859 GPRESSAVG: 4475000 20.9126 10.2641 -39.2533 10.3894 18.2741 26.1191 -42.3474 34.0031 -42.435 TIMING: 4475000 CPU: 12954, 0.00289541/step Wall: 12954, 0.00289541/step, 0.422247 hours remaining, 210.152344 MB of memory in use. ENERGY: 4475000 781.2848 2115.1999 1934.1878 116.7712 -206179.9695 17748.5407 0.0000 0.0000 34334.8745 -149149.1106 299.8550 -183483.9851 -149051.8567 299.6639 -60.4962 -29.1482 557535.1157 -1.2390 -1.0827 PRESSURE: 4475200 -9.1813 110.582 78.9287 110.583 107.492 97.5279 78.9285 97.5277 -14.1769 GPRESSURE: 4475200 76.3256 119.536 18.4893 131.825 97.8283 50.3684 15.6496 -8.60798 14.6637 PRESSAVG: 4475200 13.0355 61.0676 9.34064 61.0675 50.9025 25.9897 9.34058 25.9897 -64.8152 GPRESSAVG: 4475200 12.0465 63.7739 6.89087 59.2103 50.4315 28.5337 10.0978 23.8987 -63.7615 TIMING: 4475200 CPU: 12954.6, 0.00290373/step Wall: 12954.6, 0.00290373/step, 0.4233 hours remaining, 210.152344 MB of memory in use. ENERGY: 4475200 739.9511 2104.9125 1974.0996 101.4610 -206707.8014 17938.4394 0.0000 0.0000 34519.5573 -149329.3805 301.4679 -183848.9378 -149228.3823 299.5570 28.0446 62.9392 557529.0270 -0.2924 -0.4278 PRESSURE: 4475400 69.2068 -185.642 53.1291 -185.641 9.85365 -65.7506 53.1291 -65.7504 -40.7542 GPRESSURE: 4475400 50.9667 -167.657 29.507 -238.794 32.4668 59.8017 44.6023 -79.0461 50.3395 PRESSAVG: 4475400 30.0879 55.1534 -1.43197 55.1534 12.5721 -18.8723 -1.43202 -18.8724 -64.4125 GPRESSAVG: 4475400 31.3216 53.0888 -1.17859 58.2721 12.4538 -18.0768 -2.04082 -20.42 -65.28 TIMING: 4475400 CPU: 12955.2, 0.00288456/step Wall: 12955.2, 0.00288456/step, 0.420345 hours remaining, 210.152344 MB of memory in use. ENERGY: 4475400 758.1643 2063.2134 1947.7728 126.1637 -206238.3580 17877.8601 0.0000 0.0000 34232.6272 -149232.5565 298.9620 -183465.1837 -149139.2010 299.2393 12.7687 44.5910 557755.2291 -7.2508 -7.1682 PRESSURE: 4475600 -178.175 42.9053 6.56111 42.905 -348 41.1184 6.56037 41.117 -291.192 GPRESSURE: 4475600 -222.126 64.0398 41.0865 6.3742 -295.725 33.5713 -8.05031 64.4826 -213.934 PRESSAVG: 4475600 25.7218 -11.4527 -40.9721 -11.4527 8.82068 17.2006 -40.9722 17.2005 23.8269 GPRESSAVG: 4475600 23.9387 -12.0436 -40.0212 -13.1887 9.01325 17.4647 -41.713 18.1991 25.1179 TIMING: 4475600 CPU: 12955.8, 0.00291348/step Wall: 12955.8, 0.00291348/step, 0.424397 hours remaining, 210.152344 MB of memory in use. ENERGY: 4475600 744.6496 2041.9809 1922.8594 114.8479 -205830.9610 17537.1235 0.0000 0.0000 34172.8221 -149296.6776 298.4398 -183469.4997 -149195.7594 299.4457 -272.4558 -243.9281 560086.1538 19.4565 19.3566 PRESSURE: 4475800 -186.924 -44.9305 119.965 -44.9302 -23.6643 44.7157 119.966 44.7145 -347.217 GPRESSURE: 4475800 -108.781 -46.294 189.919 -55.9284 0.171391 82.0648 75.143 -1.87005 -351.432 PRESSAVG: 4475800 -33.0519 -8.75254 -16.6077 -8.75248 45.8419 14.6594 -16.6077 14.6593 -19.5218 GPRESSAVG: 4475800 -31.447 -9.11989 -16.8922 -7.85522 44.2336 13.1129 -14.3437 14.9649 -18.8434 TIMING: 4475800 CPU: 12956.4, 0.00290259/step Wall: 12956.4, 0.00290259/step, 0.422649 hours remaining, 210.152344 MB of memory in use. ENERGY: 4475800 715.5848 2084.5029 1965.5896 124.6231 -205957.9602 17645.6443 0.0000 0.0000 34099.5616 -149322.4540 297.8000 -183422.0155 -149221.1588 298.6508 -185.9350 -153.3471 559602.5066 -2.2439 -2.0189 PRESSURE: 4476000 38.7092 161.18 142.107 161.179 -38.0603 -46.9162 142.106 -46.9153 -335.177 GPRESSURE: 4476000 5.99166 129.51 162.379 109.911 30.6932 -138.403 161.893 27.8653 -268.942 PRESSAVG: 4476000 14.322 17.8227 -3.05826 17.8227 35.9861 -7.938 -3.05835 -7.93794 -23.416 GPRESSAVG: 4476000 14.8256 17.2054 -4.03279 17.8904 36.4561 -6.8106 -2.84062 -6.84652 -24.6486 TIMING: 4476000 CPU: 12956.9, 0.00289176/step Wall: 12956.9, 0.00289176/step, 0.420911 hours remaining, 210.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4476000 751.9104 2113.3064 1945.9657 115.9302 -205942.8584 17647.4985 0.0000 0.0000 34218.3799 -149149.8672 298.8376 -183368.2471 -149050.2174 298.9149 -111.5093 -77.4191 557903.5765 8.9640 8.8777 PRESSURE: 4476200 55.509 58.6296 41.1605 58.6286 -239.484 -23.3923 41.1604 -23.3921 -100.82 GPRESSURE: 4476200 128.919 84.2775 95.7334 121.822 -250.697 -20.9904 1.15365 35.4491 -66.2469 PRESSAVG: 4476200 -17.9436 -23.4395 -40.9971 -23.4395 -0.0525841 -9.15775 -40.9971 -9.15775 6.13004 GPRESSAVG: 4476200 -19.6164 -21.8886 -39.3615 -23.7 0.253585 -11.0939 -43.4701 -8.00461 7.03466 TIMING: 4476200 CPU: 12957.5, 0.00287674/step Wall: 12957.5, 0.00287674/step, 0.418565 hours remaining, 210.152344 MB of memory in use. ENERGY: 4476200 738.4396 2091.6707 1912.5937 101.5977 -206060.5331 17582.8130 0.0000 0.0000 34289.1362 -149344.2823 299.4556 -183633.4185 -149245.6903 299.3407 -94.9317 -62.6749 557183.7162 -3.9554 -4.1094 LDB: ============= START OF LOAD BALANCING ============== 12960.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12960.9 LDB: =============== DONE WITH MIGRATION ================ 12960.9 LDB: ============= START OF LOAD BALANCING ============== 12961.2 LDB: Largest compute 4773 load 0.026000 is 22.0% of average load 0.118042 LDB: Average compute 0.001731 is 1.5% of average load 0.118042 LDB: TIME 12961.2 LOAD: AVG 0.118042 MAX 0.179162 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.695 MB LDB: TIME 12961.2 LOAD: AVG 0.118042 MAX 0.179162 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.898 MB LDB: TIME 12961.2 LOAD: AVG 0.118042 MAX 0.179162 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.898 MB LDB: ============== END OF LOAD BALANCING =============== 12961.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12961.2 PRESSURE: 4476400 -80.9097 106.793 3.94504 106.793 138.332 -15.2663 3.9457 -15.2665 -44.4957 GPRESSURE: 4476400 -38.8486 142.289 -64.0727 135.545 164.003 -13.8165 62.4994 66.4201 -2.57886 PRESSAVG: 4476400 3.68364 23.5102 -26.7141 23.5102 -25.563 9.19473 -26.7142 9.19457 8.87532 GPRESSAVG: 4476400 4.33904 22.4941 -28.4992 23.2723 -26.2323 12.0498 -25.8423 4.94948 9.04457 TIMING: 4476400 CPU: 12958.1, 0.00293371/step Wall: 12958.1, 0.00293371/step, 0.426693 hours remaining, 210.925781 MB of memory in use. ENERGY: 4476400 743.6533 2036.5985 1932.9404 120.4078 -206160.2121 17878.0216 0.0000 0.0000 34061.4807 -149387.1097 297.4674 -183448.5904 -149285.6975 299.0625 4.3090 40.8586 557233.7586 -4.3347 -4.2829 PRESSURE: 4476600 195.286 -21.2429 108.345 -21.2418 66.9235 -45.1643 108.346 -45.1627 81.3945 GPRESSURE: 4476600 251.735 -45.0325 144.74 -33.4221 87.2259 30.0326 29.2448 -94.4977 99.5769 PRESSAVG: 4476600 11.6307 20.1699 -19.2436 20.1699 -71.2989 -31.2025 -19.2436 -31.2025 39.9031 GPRESSAVG: 4476600 11.5361 23.2137 -19.9365 18.2077 -70.676 -32.6162 -19.1838 -29.8497 39.5693 TIMING: 4476600 CPU: 12958.7, 0.00288146/step Wall: 12958.7, 0.00288146/step, 0.418932 hours remaining, 211.128906 MB of memory in use. ENERGY: 4476600 722.9318 2106.9554 1919.8911 124.8995 -206267.9293 17807.2862 0.0000 0.0000 34237.7195 -149348.2458 299.0065 -183585.9653 -149246.3918 298.3027 114.5346 146.1794 556038.4838 -6.5884 -6.5235 PRESSURE: 4476800 34.1687 49.9299 -64.9572 49.9293 -73.1992 28.0496 -64.9558 28.0499 55.4806 GPRESSURE: 4476800 -7.46336 10.6921 -35.6564 28.33 -38.0958 119.259 -80.8467 18.1917 178.76 PRESSAVG: 4476800 -72.7844 -37.3798 3.42987 -37.3799 38.1462 36.2298 3.42986 36.2299 34.9909 GPRESSAVG: 4476800 -72.5301 -38.6358 3.97064 -37.1457 37.4871 36.513 2.49394 34.3864 35.8937 TIMING: 4476800 CPU: 12959.3, 0.00289756/step Wall: 12959.3, 0.00289756/step, 0.421112 hours remaining, 211.128906 MB of memory in use. ENERGY: 4476800 765.9452 2126.0580 1908.7955 115.0487 -206283.3662 17831.6913 0.0000 0.0000 34375.5537 -149160.2737 300.2103 -183535.8274 -149056.9622 298.6922 5.4834 44.4003 556322.3860 0.1175 0.2836 PRESSURE: 4477000 -12.6752 76.0063 -85.5758 76.0066 1.21814 50.2666 -85.5748 50.2666 -1.5358 GPRESSURE: 4477000 46.7043 87.4429 -22.6579 7.15224 52.7362 26.7468 -137.213 103.726 -2.34349 PRESSAVG: 4477000 22.3136 35.8423 51.1635 35.8424 -1.18705 -0.777959 51.1635 -0.777975 14.7278 GPRESSAVG: 4477000 22.2663 36.0215 51.3948 37.2915 1.3264 -0.407191 51.4663 0.927584 12.5542 TIMING: 4477000 CPU: 12959.8, 0.00289272/step Wall: 12959.8, 0.00289272/step, 0.420248 hours remaining, 211.128906 MB of memory in use. ENERGY: 4477000 797.8006 2149.2168 1947.3596 109.3094 -206385.7170 17867.9454 0.0000 0.0000 34380.6907 -149133.3946 300.2551 -183514.0852 -149037.0242 299.8051 -4.3310 32.3657 557549.8102 11.9514 12.0490 PRESSURE: 4477200 -233.719 -58.6429 -66.0292 -58.6432 -433.254 -47.1286 -66.0287 -47.1288 214.615 GPRESSURE: 4477200 -201.032 -87.2499 -59.2694 -80.2315 -359.755 15.8739 -29.4693 -89.7085 203.384 PRESSAVG: 4477200 -15.3995 -4.78532 45.8766 -4.78528 -9.74769 -17.5186 45.8766 -17.5189 53.3788 GPRESSAVG: 4477200 -14.5267 -4.62198 44.2616 -4.91047 -10.5966 -18.0656 46.4879 -16.8726 53.3948 TIMING: 4477200 CPU: 12960.4, 0.00288272/step Wall: 12960.4, 0.00288272/step, 0.418635 hours remaining, 211.128906 MB of memory in use. ENERGY: 4477200 735.9242 2038.0270 1937.2670 96.9925 -205716.5352 17507.7463 0.0000 0.0000 34158.5413 -149242.0369 298.3150 -183400.5783 -149144.3263 299.4169 -150.7861 -119.1344 556385.3999 9.4105 9.4239 PRESSURE: 4477400 -179.541 -0.855952 -259.554 -0.85674 -363.281 65.7176 -259.554 65.7179 -89.9944 GPRESSURE: 4477400 -170.572 -7.8693 -317.587 -11.4205 -270.255 108.254 -184.334 108.388 -89.7236 PRESSAVG: 4477400 20.3681 33.5828 -23.8602 33.5828 -45.8721 65.1931 -23.8602 65.1931 22.6122 GPRESSAVG: 4477400 20.6743 32.0591 -23.5123 33.9723 -46.1521 65.6569 -21.0905 64.7897 22.8832 TIMING: 4477400 CPU: 12961, 0.0028899/step Wall: 12961, 0.0028899/step, 0.419518 hours remaining, 211.128906 MB of memory in use. ENERGY: 4477400 752.7408 2077.4005 1951.7423 115.4000 -206250.9307 17478.1514 0.0000 0.0000 34552.8057 -149322.6899 301.7582 -183875.4956 -149222.2641 299.3262 -210.9388 -176.8504 557646.6057 -0.9639 -0.8649 PRESSURE: 4477600 262.501 7.70848 83.8574 7.70872 72.715 -50.268 83.8582 -50.267 36.8593 GPRESSURE: 4477600 289.95 25.245 196.188 36.971 117.627 -46.3584 -3.6831 -88.6699 61.1916 PRESSAVG: 4477600 40.5051 55.6483 -42.0644 55.6482 -15.2607 25.3885 -42.0644 25.3886 6.52069 GPRESSAVG: 4477600 39.5487 56.5783 -40.5384 55.3318 -14.8104 25.8752 -44.5299 24.9341 7.42646 TIMING: 4477600 CPU: 12961.6, 0.0028932/step Wall: 12961.6, 0.0028932/step, 0.419835 hours remaining, 211.128906 MB of memory in use. ENERGY: 4477600 750.0744 2103.4208 1926.5735 121.9646 -206342.3033 17942.9057 0.0000 0.0000 34183.0265 -149314.3379 298.5289 -183497.3644 -149218.5922 298.7684 124.0252 156.2562 556001.3597 10.5883 10.7216 PRESSURE: 4477800 -6.94662 -167.968 -26.6418 -167.968 59.1032 249.981 -26.6418 249.982 -8.57955 GPRESSURE: 4477800 -78.8027 -154.48 -10.8123 -163.868 121.843 158.063 -65.58 258.849 94.1962 PRESSAVG: 4477800 53.8118 -23.9938 -2.42575 -23.9938 44.5204 -62.0999 -2.42575 -62.1001 -43.5942 GPRESSAVG: 4477800 53.8136 -24.2449 -3.72998 -23.2064 43.7054 -62.674 -2.38054 -59.7138 -42.5814 TIMING: 4477800 CPU: 12962.2, 0.00288172/step Wall: 12962.2, 0.00288172/step, 0.41801 hours remaining, 211.128906 MB of memory in use. ENERGY: 4477800 757.3688 2096.5188 1945.1877 102.0732 -206650.9783 17981.0319 0.0000 0.0000 34352.4981 -149416.2997 300.0089 -183768.7979 -149322.3251 298.9453 14.5257 45.7456 557761.5317 18.2460 18.3125 PRESSURE: 4478000 -106.824 -26.6074 -75.0596 -26.6068 -224.338 94.9768 -75.0585 94.978 -32.7969 GPRESSURE: 4478000 -69.8864 -31.3112 -111.398 -62.8194 -169.587 38.3957 -17.6314 141.83 -34.0335 PRESSAVG: 4478000 -95.7754 -12.5254 27.7683 -12.5254 45.1145 5.01582 27.7683 5.01581 53.1719 GPRESSAVG: 4478000 -96.1448 -13.718 30.02 -12.2703 46.306 4.95831 28.1595 2.59429 52.3664 TIMING: 4478000 CPU: 12962.7, 0.00286865/step Wall: 12962.7, 0.00286865/step, 0.415955 hours remaining, 211.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4478000 787.8783 2045.5253 1921.7522 113.9177 -206240.8575 17724.1060 0.0000 0.0000 34322.2324 -149325.4456 299.7446 -183647.6780 -149223.9201 299.6902 -121.3198 -91.1690 558164.7113 0.8370 0.8426 PRESSURE: 4478200 -298.257 -113.363 -12.4208 -113.363 -162.736 26.536 -12.4196 26.5353 -201.054 GPRESSURE: 4478200 -275.928 -160.017 -48.6589 -7.47036 -163.891 56.4229 -5.58211 43.1592 -137.723 PRESSAVG: 4478200 -27.5058 -20.5827 6.33899 -20.5826 15.4876 -42.5868 6.3391 -42.5867 -7.15036 GPRESSAVG: 4478200 -26.065 -19.0454 4.48894 -21.235 14.5753 -43.3525 7.35682 -39.4648 -7.91702 TIMING: 4478200 CPU: 12963.3, 0.00286938/step Wall: 12963.3, 0.00286938/step, 0.415901 hours remaining, 211.128906 MB of memory in use. ENERGY: 4478200 754.5511 2083.6432 1934.7670 105.2256 -206103.5442 17590.3019 0.0000 0.0000 34177.3999 -149457.6555 298.4797 -183635.0554 -149363.4046 298.7032 -220.6827 -192.5142 558543.8400 -6.3895 -6.4689 PRESSURE: 4478400 -119.741 -20.2452 -51.2416 -20.245 -156.523 5.56011 -51.2418 5.55757 -166.318 GPRESSURE: 4478400 -128.818 -41.2132 20.6998 1.24287 -135.256 -17.1641 -17.8489 39.2021 -75.1977 PRESSAVG: 4478400 -88.4968 22.9626 -53.1804 22.9624 72.7695 -17.1848 -53.1805 -17.1848 29.32 GPRESSAVG: 4478400 -88.4855 22.9039 -52.38 23.9259 72.8801 -17.8763 -54.9077 -20.2652 29.3134 TIMING: 4478400 CPU: 12963.9, 0.00286436/step Wall: 12963.9, 0.00286436/step, 0.415014 hours remaining, 211.128906 MB of memory in use. ENERGY: 4478400 765.2931 2037.7304 1939.8001 100.7582 -206095.5507 17713.3087 0.0000 0.0000 33985.6616 -149552.9986 296.8052 -183538.6602 -149453.4774 297.9631 -147.5273 -113.0907 559178.0770 4.5309 4.5693 PRESSURE: 4478600 -69.0221 -41.4835 -4.07734 -41.484 104.267 -0.0619197 -4.07677 -0.0622926 95.2329 GPRESSURE: 4478600 -16.7461 -120.718 -8.84965 -6.39161 158.668 6.1899 6.67474 0.0417832 97.4808 PRESSAVG: 4478600 -34.7263 -45.5139 -20.8912 -45.514 50.7601 -5.27214 -20.8911 -5.27229 -30.172 GPRESSAVG: 4478600 -34.8795 -45.9044 -20.6203 -47.7645 49.9832 -4.66419 -21.6981 -4.82733 -29.4676 TIMING: 4478600 CPU: 12964.4, 0.00286999/step Wall: 12964.4, 0.00286999/step, 0.41567 hours remaining, 211.128906 MB of memory in use. ENERGY: 4478600 740.4160 2035.6717 1921.9090 113.1310 -206530.2160 17805.8889 0.0000 0.0000 34357.5689 -149555.6305 300.0532 -183913.1994 -149462.5287 297.8130 43.4927 79.8010 556563.7271 -4.7127 -4.7880 PRESSURE: 4478800 -451.338 28.0024 -61.6885 28.0013 -2.50433 -235.902 -61.6895 -235.902 -449.365 GPRESSURE: 4478800 -435.689 -3.17724 -83.9019 108.941 15.2176 -245.784 -90.1053 -177.705 -380.161 PRESSAVG: 4478800 -22.021 -35.9685 5.85227 -35.9684 34.0876 -18.9413 5.85227 -18.9412 -4.16243 GPRESSAVG: 4478800 -23.1248 -37.1581 4.63068 -35.0568 34.5451 -17.6335 6.66798 -18.5251 -3.31464 TIMING: 4478800 CPU: 12965, 0.00287628/step Wall: 12965, 0.00287628/step, 0.416421 hours remaining, 211.199219 MB of memory in use. ENERGY: 4478800 769.9564 2095.9370 1935.1701 105.9062 -206185.4672 17423.5400 0.0000 0.0000 34382.6458 -149472.3118 300.2722 -183854.9576 -149370.8317 299.0613 -301.0691 -266.8775 557950.2252 2.6347 2.7019 PRESSURE: 4479000 -222.748 191.283 151.174 191.284 160.897 -57.2829 151.173 -57.2847 -5.0255 GPRESSURE: 4479000 -170.251 155.997 124.805 233.317 219.637 -78.5117 206.967 -72.272 -16.1894 PRESSAVG: 4479000 17.3226 43.0617 15.5849 43.0617 29.725 3.48011 15.585 3.48012 -72.1762 GPRESSAVG: 4479000 18.4714 42.6015 15.9921 42.8119 30.3298 3.01138 15.6838 5.25145 -74.5321 TIMING: 4479000 CPU: 12965.6, 0.00288012/step Wall: 12965.6, 0.00288012/step, 0.416817 hours remaining, 211.199219 MB of memory in use. ENERGY: 4479000 727.2145 2063.5410 1953.3725 100.1394 -205983.1774 17672.5843 0.0000 0.0000 33974.8907 -149491.4350 296.7112 -183466.3257 -149390.8256 298.1441 -22.2919 11.0654 558352.8958 -8.3762 -8.5770 PRESSURE: 4479200 -334.368 117.535 151.896 117.535 -201.706 -64.1536 151.896 -64.1541 -186.038 GPRESSURE: 4479200 -293.668 157.615 217.418 10.9305 -162.888 -64.1958 155.459 -61.3059 -182.663 PRESSAVG: 4479200 -41.7827 5.18045 23.6189 5.1804 16.8048 -25.3331 23.6188 -25.333 -2.34231 GPRESSAVG: 4479200 -41.8209 5.51071 23.9306 6.09436 16.1571 -25.6618 24.604 -25.3843 -1.67881 TIMING: 4479200 CPU: 12966.2, 0.0028915/step Wall: 12966.2, 0.0028915/step, 0.418303 hours remaining, 211.199219 MB of memory in use. ENERGY: 4479200 754.3784 2085.5476 1927.7103 110.5123 -205867.8441 17535.3396 0.0000 0.0000 34157.1620 -149297.1939 298.3030 -183454.3559 -149206.4628 297.9118 -240.7041 -213.0732 559642.4963 -9.1067 -9.1142 PRESSURE: 4479400 5.71697 69.8837 84.1848 69.8819 -34.4429 -103.839 84.1836 -103.838 11.8023 GPRESSURE: 4479400 98.018 94.6524 101.129 -21.3899 -14.9798 -6.94359 80.4434 -132.389 -15.2623 PRESSAVG: 4479400 57.1486 13.8154 -13.7199 13.8155 -27.1518 -60.0672 -13.7199 -60.0671 -41.1643 GPRESSAVG: 4479400 55.5771 14.665 -14.2073 13.0588 -26.8203 -60.1733 -14.5963 -58.6703 -40.4737 TIMING: 4479400 CPU: 12966.7, 0.00286483/step Wall: 12966.7, 0.00286483/step, 0.414287 hours remaining, 211.199219 MB of memory in use. ENERGY: 4479400 764.7539 2108.5295 1937.4578 117.1812 -206508.6845 17922.4692 0.0000 0.0000 34171.8579 -149486.4349 298.4313 -183658.2928 -149393.6266 298.5498 -5.6412 22.5920 556857.4226 -3.7225 -3.9057 PRESSURE: 4479600 105.833 6.80423 -80.3498 6.80423 -183.168 27.8863 -80.3496 27.8852 75.6307 GPRESSURE: 4479600 97.7982 53.4005 -40.9255 -22.6557 -117.633 -15.2167 -145.901 14.437 121.627 PRESSAVG: 4479600 66.6795 -59.3259 25.6218 -59.3259 -78.8449 -58.1475 25.6217 -58.1476 -30.1235 GPRESSAVG: 4479600 67.0896 -57.3388 27.0708 -60.2968 -78.8587 -57.6479 26.526 -60.6121 -30.6237 TIMING: 4479600 CPU: 12967.3, 0.00288321/step Wall: 12967.3, 0.00288321/step, 0.416784 hours remaining, 211.199219 MB of memory in use. ENERGY: 4479600 753.7922 2108.8737 1925.3099 102.0389 -206384.2894 17916.3869 0.0000 0.0000 34069.3154 -149508.5723 297.5358 -183577.8877 -149416.3558 298.7115 -0.5678 33.9306 555991.9382 -14.0963 -14.1309 PRESSURE: 4479800 -25.0172 71.2977 -179.944 71.2965 -7.73308 -84.1647 -179.945 -84.1649 168.617 GPRESSURE: 4479800 -32.0882 102.083 -216.051 84.5076 83.7673 -123.066 -157.23 0.420056 175.164 PRESSAVG: 4479800 36.2217 -10.049 -48.8863 -10.0492 -70.6392 -51.7485 -48.8863 -51.7485 7.68435 GPRESSAVG: 4479800 36.0358 -10.8297 -51.7723 -10.1396 -69.4244 -52.9021 -49.4543 -51.3372 7.68779 TIMING: 4479800 CPU: 12967.9, 0.00286651/step Wall: 12967.9, 0.00286651/step, 0.414211 hours remaining, 211.199219 MB of memory in use. ENERGY: 4479800 724.7807 2073.8857 1921.7466 109.4659 -206379.2449 17777.0432 0.0000 0.0000 34341.5664 -149430.7564 299.9134 -183772.3228 -149329.6735 298.2677 45.2890 75.6142 555614.7293 -8.9111 -8.5669 PRESSURE: 4480000 124.829 -12.4103 -32.5882 -12.4103 146.98 95.6909 -32.5883 95.6907 24.3434 GPRESSURE: 4480000 169.918 -21.7553 23.8671 -28.4212 187.346 82.0083 -97.5092 36.7556 44.1327 PRESSAVG: 4480000 19.5566 37.21 -58.426 37.2101 -32.6049 20.1946 -58.4259 20.1946 -12.5364 GPRESSAVG: 4480000 18.9459 36.503 -56.9801 36.3363 -32.1843 22.4315 -59.0466 18.039 -12.4802 TIMING: 4480000 CPU: 12968.5, 0.00289585/step Wall: 12968.5, 0.00289585/step, 0.418289 hours remaining, 211.199219 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: 4480000 733.5783 2086.7797 1956.1278 117.9668 -206185.7027 17770.2184 0.0000 0.0000 33995.2784 -149525.7531 296.8892 -183521.0316 -149431.6149 298.6185 98.7177 133.7991 555641.2586 -8.5282 -8.5728 PRESSURE: 4480200 -270.142 -69.4152 -119.78 -69.4149 -206.636 22.9749 -119.78 22.9763 -298.908 GPRESSURE: 4480200 -208.025 -130.013 -58.1162 -146.487 -178.972 34.6076 -119.842 11.6524 -302.109 PRESSAVG: 4480200 32.6835 -22.433 -18.6426 -22.4329 -26.3212 18.775 -18.6427 18.775 49.7371 GPRESSAVG: 4480200 34.7774 -23.857 -16.7954 -23.299 -28.5995 17.6817 -17.4636 19.8707 50.14 TIMING: 4480200 CPU: 12969.1, 0.00289587/step Wall: 12969.1, 0.00289587/step, 0.418132 hours remaining, 211.199219 MB of memory in use. ENERGY: 4480200 741.9676 2095.3647 1951.0516 105.2307 -205805.9695 17338.4629 0.0000 0.0000 34118.1058 -149455.7862 297.9619 -183573.8920 -149366.0954 298.3629 -258.5621 -229.7022 556482.9117 18.6998 18.7726 LDB: ============= START OF LOAD BALANCING ============== 12972.4 LDB: ============== END OF LOAD BALANCING =============== 12972.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12972.4 LDB: ============= START OF LOAD BALANCING ============== 12972.7 LDB: Largest compute 4773 load 0.025794 is 21.9% of average load 0.118025 LDB: Average compute 0.001732 is 1.5% of average load 0.118025 LDB: TIME 12972.7 LOAD: AVG 0.118025 MAX 0.178991 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.93 MB LDB: TIME 12972.7 LOAD: AVG 0.118025 MAX 0.178991 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.992 MB LDB: TIME 12972.7 LOAD: AVG 0.118025 MAX 0.178991 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.992 MB LDB: ============== END OF LOAD BALANCING =============== 12972.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12972.7 PRESSURE: 4480400 60.3432 -7.73737 -41.3466 -7.73677 -235.61 -9.82986 -41.3467 -9.8294 164.5 GPRESSURE: 4480400 96.3333 66.3034 27.1068 -1.75102 -196.28 27.3041 -64.6582 27.0923 176.654 PRESSAVG: 4480400 23.2851 17.2492 -5.53382 17.2493 -65.6696 50.4178 -5.5338 50.4177 39.718 GPRESSAVG: 4480400 21.7341 17.5141 -6.0069 18.4331 -64.5754 50.9446 -8.00282 50.7015 40.2921 TIMING: 4480400 CPU: 12969.6, 0.00292672/step Wall: 12969.6, 0.00292672/step, 0.422423 hours remaining, 211.441406 MB of memory in use. ENERGY: 4480400 703.5941 2071.4108 1916.8607 97.7701 -206139.3528 17778.6836 0.0000 0.0000 34217.6601 -149353.3734 298.8313 -183571.0336 -149258.6655 298.6409 -3.5891 25.5690 558531.5732 -0.8888 -0.8497 PRESSURE: 4480600 -68.8097 -20.889 -30.718 -20.8894 3.61858 -106.364 -30.7174 -106.363 -86.4809 GPRESSURE: 4480600 -88.2325 -37.3058 -7.71454 -22.7767 90.5274 -70.9225 -83.3497 -22.965 -58.2859 PRESSAVG: 4480600 11.9293 26.4049 -7.61724 26.4049 -4.36199 11.3434 -7.61716 11.3434 0.814784 GPRESSAVG: 4480600 11.9635 25.1212 -7.45435 27.9692 -4.85385 11.9616 -6.6465 10.8774 1.11364 TIMING: 4480600 CPU: 12970.2, 0.002879/step Wall: 12970.2, 0.002879/step, 0.415375 hours remaining, 211.582031 MB of memory in use. ENERGY: 4480600 714.6546 2059.8517 1926.3859 120.3672 -206296.8199 17813.4714 0.0000 0.0000 34494.4970 -149167.5922 301.2490 -183662.0892 -149076.4415 299.3156 -50.5574 -18.6637 558288.2743 2.7940 2.7411 PRESSURE: 4480800 94.6843 -30.418 -65.6491 -30.4177 -53.7169 96.8533 -65.6488 96.853 274.612 GPRESSURE: 4480800 158.289 -25.7048 -47.716 17.5915 -72.2874 110.598 -81.9154 72.0837 325.795 PRESSAVG: 4480800 26.088 25.5983 12.5589 25.5983 41.6891 31.7768 12.559 31.7767 -28.211 GPRESSAVG: 4480800 26.2653 29.5124 13.4266 25.4178 42.264 31.2795 11.7493 30.6522 -29.0149 TIMING: 4480800 CPU: 12970.8, 0.00288871/step Wall: 12970.8, 0.00288871/step, 0.416616 hours remaining, 211.582031 MB of memory in use. ENERGY: 4480800 743.7136 2091.9992 1924.3955 112.9943 -205466.5468 17428.3933 0.0000 0.0000 34256.1407 -148908.9101 299.1674 -183165.0509 -148812.9764 299.6530 105.1932 137.2653 556771.1986 13.1887 13.1715 PRESSURE: 4481000 135.646 14.192 -36.5954 14.1909 -79.9396 -24.0025 -36.5952 -24.0021 -106.755 GPRESSURE: 4481000 162.305 34.5646 -67.4519 -27.9492 -41.2283 8.44564 14.5091 -6.71765 -58.9718 PRESSAVG: 4481000 26.0886 2.29378 2.43655 2.29381 -22.0602 -18.852 2.43654 -18.8521 6.33484 GPRESSAVG: 4481000 25.6866 -0.258579 0.916322 2.56107 -23.7844 -18.4818 2.28775 -18.0493 7.89695 TIMING: 4481000 CPU: 12971.4, 0.00287667/step Wall: 12971.4, 0.00287667/step, 0.41472 hours remaining, 211.582031 MB of memory in use. ENERGY: 4481000 720.7758 2093.8953 1941.3554 103.6411 -205792.3088 17566.0226 0.0000 0.0000 34374.1110 -148992.5075 300.1977 -183366.6185 -148896.1525 299.9790 -17.0163 20.7017 557610.7824 3.4544 3.2664 PRESSURE: 4481200 255.739 2.67087 19.7285 2.67176 -2.4057 -97.7773 19.7296 -97.7768 -7.25155 GPRESSURE: 4481200 246.986 25.5005 -68.1851 42.4406 80.2427 -118.52 24.914 -100.065 15.384 PRESSAVG: 4481200 82.4962 3.67341 -1.84606 3.67329 47.2004 -56.1485 -1.84613 -56.1486 -92.6328 GPRESSAVG: 4481200 81.0107 5.75252 -2.05354 1.52693 48.9867 -57.2222 -0.672025 -55.0398 -93.6625 TIMING: 4481200 CPU: 12972, 0.00289796/step Wall: 12972, 0.00289796/step, 0.417628 hours remaining, 211.878906 MB of memory in use. ENERGY: 4481200 735.6800 2096.5841 1936.3883 110.6561 -206349.1623 17765.6166 0.0000 0.0000 34584.7861 -149119.4511 302.0375 -183704.2372 -149019.7314 299.9666 82.0272 114.2043 556275.1027 12.3546 12.1116 PRESSURE: 4481400 -100.013 102.763 -224.658 102.762 -128.031 -64.7245 -224.659 -64.7253 -108.265 GPRESSURE: 4481400 -85.993 35.4045 -230.973 92.8751 -87.832 -83.2503 -175.335 -59.2255 -45.1738 PRESSAVG: 4481400 -2.26093 -10.0633 -20.8411 -10.0633 46.2121 -4.93094 -20.8411 -4.93096 -24.2101 GPRESSAVG: 4481400 0.288643 -10.9768 -20.1416 -9.43654 44.3718 -4.70501 -21.5027 -6.40585 -25.2419 TIMING: 4481400 CPU: 12972.5, 0.00289228/step Wall: 12972.5, 0.00289228/step, 0.416649 hours remaining, 211.878906 MB of memory in use. ENERGY: 4481400 763.5759 2108.4835 1915.2929 107.8017 -206025.8104 17616.1236 0.0000 0.0000 34404.0855 -149110.4473 300.4594 -183514.5328 -149009.3468 299.9766 -112.1031 -72.9996 557205.7119 6.5803 6.4728 PRESSURE: 4481600 -230.176 -7.48243 -65.7854 -7.48208 -173.851 79.692 -65.7854 79.692 -272.118 GPRESSURE: 4481600 -227.886 -2.76118 -94.3025 -8.74121 -147.005 188.374 10.8635 77.3162 -199.019 PRESSAVG: 4481600 -16.4685 -2.43783 -84.8526 -2.43776 -13.2659 -46.5109 -84.8526 -46.5107 24.5373 GPRESSAVG: 4481600 -19.8905 -3.27384 -85.7844 0.268684 -11.4911 -45.7958 -84.5106 -46.0026 26.005 TIMING: 4481600 CPU: 12973.1, 0.00289275/step Wall: 12973.1, 0.00289275/step, 0.416556 hours remaining, 211.878906 MB of memory in use. ENERGY: 4481600 767.6437 2008.0956 1929.8386 125.9048 -205825.2721 17515.5468 0.0000 0.0000 34194.2059 -149284.0368 298.6265 -183478.2427 -149183.8023 300.1606 -225.3815 -191.3031 558375.6328 -1.7324 -1.7922 PRESSURE: 4481800 -162.596 -63.1215 -23.0192 -63.1199 -71.3758 35.1098 -23.018 35.1101 -259.395 GPRESSURE: 4481800 -143.478 -127.193 -63.2402 -80.1041 -13.414 18.2844 -44.9757 68.8841 -240.739 PRESSAVG: 4481800 20.0864 -17.0417 27.0594 -17.0416 -27.2254 -4.10012 27.0594 -4.10013 9.96884 GPRESSAVG: 4481800 21.5405 -17.4887 25.3146 -17.0467 -27.0711 -3.49458 29.5115 -2.21568 7.98592 TIMING: 4481800 CPU: 12973.7, 0.00287052/step Wall: 12973.7, 0.00287052/step, 0.413195 hours remaining, 211.878906 MB of memory in use. ENERGY: 4481800 743.9822 2031.0426 1923.2973 103.2233 -206105.9616 17709.8929 0.0000 0.0000 34157.9416 -149436.5815 298.3098 -183594.5232 -149335.0395 299.4267 -164.4557 -132.5436 558865.0505 0.9433 0.8184 PRESSURE: 4482000 46.2318 -183.132 -64.8991 -183.132 192.414 38.4656 -64.898 38.4656 45.1854 GPRESSURE: 4482000 111.657 -165.273 -17.6984 -263 216.016 -16.867 -92.4724 35.1903 40.279 PRESSAVG: 4482000 -12.2519 -61.3721 5.44268 -61.372 -4.03511 2.27711 5.44272 2.2771 46.6722 GPRESSAVG: 4482000 -12.2832 -61.0831 7.54648 -62.8447 -5.19973 0.709388 3.20592 3.21079 47.7779 TIMING: 4482000 CPU: 12974.3, 0.00286808/step Wall: 12974.3, 0.00286808/step, 0.412684 hours remaining, 211.878906 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: 4482000 753.4032 2090.0007 1927.7951 115.9722 -206528.7800 17958.7800 0.0000 0.0000 34165.0824 -149517.7463 298.3722 -183682.8287 -149413.8300 298.5972 94.6102 122.6509 556339.0522 10.1284 10.0983 PRESSURE: 4482200 70.3531 -53.4203 -11.5376 -53.4206 333.904 59.2272 -11.538 59.2282 314.665 GPRESSURE: 4482200 149.333 -37.0855 40.6577 -44.1767 364.524 163.375 -83.1899 -41.9936 309.233 PRESSAVG: 4482200 8.75422 -85.2174 0.787776 -85.2174 -11.3765 -46.6154 0.787902 -46.6153 0.0527431 GPRESSAVG: 4482200 8.55653 -83.7867 -1.18986 -85.2464 -10.6704 -45.9359 1.16753 -49.0906 -0.749946 TIMING: 4482200 CPU: 12974.8, 0.00288628/step Wall: 12974.8, 0.00288629/step, 0.415144 hours remaining, 211.878906 MB of memory in use. ENERGY: 4482200 717.4705 2099.0459 1930.9207 92.8355 -206671.1015 18125.4353 0.0000 0.0000 34215.6133 -149489.7803 298.8135 -183705.3936 -149399.5784 298.3805 239.6409 274.3634 555558.0081 -0.8565 -0.9546 PRESSURE: 4482400 -110.139 -3.10169 227.864 -3.1022 -134.934 52.2744 227.864 52.2735 2.55775 GPRESSURE: 4482400 -3.77716 14.4938 258.124 7.83581 -163.897 57.4838 153.099 45.1307 30.3303 PRESSAVG: 4482400 -77.0937 -34.2909 18.6641 -34.2908 -1.90732 65.8197 18.664 65.8196 68.0612 GPRESSAVG: 4482400 -75.8893 -36.268 21.6016 -33.6059 -3.35771 65.0739 18.3728 65.7194 68.2174 TIMING: 4482400 CPU: 12975.4, 0.00286112/step Wall: 12975.4, 0.00286112/step, 0.411365 hours remaining, 211.878906 MB of memory in use. ENERGY: 4482400 729.0756 2033.9731 1943.8908 96.9760 -206289.2259 17865.1569 0.0000 0.0000 34085.6389 -149534.5147 297.6784 -183620.1536 -149447.6483 298.8078 -80.8382 -45.7814 557937.6751 -3.6466 -3.6765 PRESSURE: 4482600 -127.538 -73.3776 68.8529 -73.3767 -82.9997 94.9741 68.8539 94.9735 -270.279 GPRESSURE: 4482600 -50.8029 -124.697 45.3856 -69.2159 -95.4294 138.577 76.6696 67.6644 -236.196 PRESSAVG: 4482600 -40.6956 -21.6866 39.333 -21.6865 -29.7919 12.9493 39.3329 12.9493 73.7802 GPRESSAVG: 4482600 -42.0009 -18.7208 36.3575 -24.2484 -28.3254 13.8505 41.1367 13.4894 74.1467 TIMING: 4482600 CPU: 12976, 0.00286729/step Wall: 12976, 0.00286729/step, 0.412093 hours remaining, 211.878906 MB of memory in use. ENERGY: 4482600 762.5747 2027.3945 1934.5277 109.5214 -206134.8003 17599.8753 0.0000 0.0000 34222.0756 -149478.8312 298.8699 -183700.9067 -149383.8641 298.3831 -160.2724 -127.4762 557068.8668 1.0975 1.2735 PRESSURE: 4482800 7.70202 82.3401 -45.4551 82.3407 -123.598 -3.49524 -45.4551 -3.49432 -61.2541 GPRESSURE: 4482800 10.0796 56.256 -37.1558 67.6938 -108.866 -10.0185 30.2405 -59.2083 23.1269 PRESSAVG: 4482800 -48.4961 34.2456 19.4546 34.2456 29.4609 -19.9978 19.4545 -19.9977 29.6778 GPRESSAVG: 4482800 -48.1461 34.822 20.7687 33.8761 29.0055 -20.5874 18.2907 -18.8797 30.2087 TIMING: 4482800 CPU: 12976.6, 0.00288547/step Wall: 12976.6, 0.00288547/step, 0.414546 hours remaining, 211.878906 MB of memory in use. ENERGY: 4482800 765.2505 2049.1447 1964.2768 107.6630 -205957.0062 17361.1473 0.0000 0.0000 34335.9997 -149373.5241 299.8648 -183709.5238 -149274.9989 299.2031 -59.0502 -25.2197 557033.8918 3.5475 3.6894 PRESSURE: 4483000 -12.1556 -30.2922 -57.9201 -30.2924 -60.7485 -73.155 -57.9204 -73.1557 -103.489 GPRESSURE: 4483000 21.9553 75.3223 -50.6681 58.7504 -45.0905 -20.1858 -48.1275 -95.1284 -61.0549 PRESSAVG: 4483000 24.5647 42.2745 -7.83512 42.2745 -25.3288 -18.1329 -7.83509 -18.1329 -5.1661 GPRESSAVG: 4483000 25.6477 40.8946 -7.33026 43.9832 -26.1887 -18.6772 -8.52377 -18.7535 -5.37405 TIMING: 4483000 CPU: 12977.1, 0.00289542/step Wall: 12977.1, 0.00289542/step, 0.415814 hours remaining, 211.878906 MB of memory in use. ENERGY: 4483000 716.0033 2095.0829 1938.6073 121.7434 -206171.7629 17640.7070 0.0000 0.0000 34372.8224 -149286.7965 300.1864 -183659.6190 -149191.9945 299.6679 -58.7976 -28.0634 558243.1436 -1.9767 -1.9717 PRESSURE: 4483200 -26.2503 74.9495 -22.2325 74.9503 39.021 40.2101 -22.2337 40.2071 -13.5365 GPRESSURE: 4483200 -10.7237 28.8842 -78.711 132.178 71.6786 -17.5303 -49.7584 38.5088 26.8709 PRESSAVG: 4483200 -2.8227 56.8953 -35.3279 56.8953 -20.3516 -9.58656 -35.3279 -9.5865 6.82254 GPRESSAVG: 4483200 -4.51171 58.1934 -35.3209 55.5525 -18.7722 -9.39814 -36.3684 -10.33 6.78629 TIMING: 4483200 CPU: 12977.7, 0.00290593/step Wall: 12977.7, 0.00290593/step, 0.417163 hours remaining, 211.878906 MB of memory in use. ENERGY: 4483200 747.3932 2056.5938 1936.1652 129.7984 -206324.8823 17862.6464 0.0000 0.0000 34253.6683 -149338.6170 299.1458 -183592.2853 -149238.6652 299.2098 -0.2553 29.2753 556766.6664 -5.4506 -5.4992 PRESSURE: 4483400 -45.4858 43.2861 121.167 43.2867 -308.441 -85.1053 121.166 -85.1061 -42.9097 GPRESSURE: 4483400 -9.63733 -20.5666 169.961 48.9032 -258.552 -179.547 -28.5867 -125.119 -39.1016 PRESSAVG: 4483400 35.981 -31.7084 -0.939978 -31.7084 2.78635 12.5356 -0.940014 12.5356 -16.6885 GPRESSAVG: 4483400 35.3415 -32.38 -1.72943 -30.9285 3.06539 11.509 0.903547 14.5982 -15.8996 TIMING: 4483400 CPU: 12978.3, 0.00291326/step Wall: 12978.3, 0.00291326/step, 0.418052 hours remaining, 211.878906 MB of memory in use. ENERGY: 4483400 729.6190 2113.6148 1941.8833 106.3705 -205934.8579 17563.8724 0.0000 0.0000 34350.6264 -149128.8715 299.9926 -183479.4979 -149031.2421 299.5588 -132.2789 -102.4302 558557.4276 7.3596 7.5024 PRESSURE: 4483600 -299.403 169.576 -139.041 169.576 -114.123 64.6911 -139.043 64.6917 -69.0877 GPRESSURE: 4483600 -251.286 134.715 -99.3093 79.874 -38.2181 152.614 -164.163 98.579 -99.4898 PRESSAVG: 4483600 6.91987 6.79967 -45.406 6.79969 19.2694 -18.4906 -45.4061 -18.4906 -38.683 GPRESSAVG: 4483600 8.02913 7.02979 -45.7602 6.50227 19.4138 -16.2929 -45.9441 -19.739 -39.4685 TIMING: 4483600 CPU: 12978.9, 0.00290035/step Wall: 12978.9, 0.00290035/step, 0.416038 hours remaining, 211.878906 MB of memory in use. ENERGY: 4483600 716.0853 2133.8399 1960.2673 106.9076 -205925.8828 17568.1827 0.0000 0.0000 34541.4605 -148899.1395 301.6592 -183440.6000 -148800.6326 300.5917 -160.8712 -129.6648 558954.2817 -4.1646 -4.0085 PRESSURE: 4483800 -451.599 118.148 -155.936 118.148 -258.374 -41.5852 -155.935 -41.5862 7.53699 GPRESSURE: 4483800 -389.776 132.784 -139.568 62.4653 -194.645 -13.3293 -106.783 21.9085 -16.9432 PRESSAVG: 4483800 35.278 53.8188 -47.3648 53.8188 81.6273 -12.4859 -47.3649 -12.4859 -59.8519 GPRESSAVG: 4483800 35.4569 53.6611 -47.6769 54.0121 82.1848 -13.018 -47.5187 -13.218 -60.5063 TIMING: 4483800 CPU: 12979.5, 0.00289245/step Wall: 12979.5, 0.00289245/step, 0.414746 hours remaining, 211.878906 MB of memory in use. ENERGY: 4483800 754.5856 2159.0358 1940.6780 98.6886 -206021.3912 17560.0929 0.0000 0.0000 34520.9417 -148987.3686 301.4800 -183508.3103 -148890.6250 300.4121 -234.1453 -200.4546 557947.5745 19.0178 19.0452 PRESSURE: 4484000 -36.7015 -173.376 -17.0878 -173.374 -143.653 85.5991 -17.0873 85.5991 -184.163 GPRESSURE: 4484000 -28.0923 -149.989 27.7001 -123.011 -111.085 94.5515 -82.1389 19.3536 -128.581 PRESSAVG: 4484000 13.4795 33.4954 41.981 33.4955 38.972 23.0768 41.9809 23.0766 -13.4147 GPRESSAVG: 4484000 12.7967 32.6375 43.4084 33.5507 37.6772 23.071 40.8921 22.2941 -12.2967 TIMING: 4484000 CPU: 12980, 0.00289271/step Wall: 12980, 0.00289271/step, 0.414622 hours remaining, 211.878906 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: 4484000 735.7249 2066.9380 1952.4716 110.7691 -205770.5945 17570.6476 0.0000 0.0000 34364.2908 -148969.7525 300.1119 -183334.0433 -148869.1724 300.4408 -121.5056 -89.2526 558142.4529 13.0123 12.7257 PRESSURE: 4484200 -284.236 39.2431 134.116 39.244 151.083 216.129 134.115 216.13 142.836 GPRESSURE: 4484200 -236.509 40.1254 188.547 15.2598 204.388 221.398 122.544 247.473 125.474 PRESSAVG: 4484200 12.2238 10.0673 13.3318 10.0673 -55.5784 1.18574 13.3318 1.18566 19.2193 GPRESSAVG: 4484200 13.9238 9.82943 11.5422 10.2698 -56.5284 -1.07068 14.9446 3.33911 18.3226 TIMING: 4484200 CPU: 12980.6, 0.00292007/step Wall: 12980.6, 0.00292007/step, 0.418381 hours remaining, 211.878906 MB of memory in use. ENERGY: 4484200 740.5744 2081.3068 1969.9475 121.7813 -205978.0653 17786.5656 0.0000 0.0000 34281.0679 -148996.8217 299.3851 -183277.8896 -148893.4367 299.8657 3.2276 31.1173 557512.0282 -8.0451 -8.0940 LDB: ============= START OF LOAD BALANCING ============== 12984 LDB: ============== END OF LOAD BALANCING =============== 12984 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12984 LDB: ============= START OF LOAD BALANCING ============== 12984.3 LDB: Largest compute 4773 load 0.025672 is 21.8% of average load 0.118021 LDB: Average compute 0.001727 is 1.5% of average load 0.118021 LDB: TIME 12984.3 LOAD: AVG 0.118021 MAX 0.178591 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.055 MB LDB: TIME 12984.3 LOAD: AVG 0.118021 MAX 0.178591 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.055 MB LDB: TIME 12984.3 LOAD: AVG 0.118021 MAX 0.178591 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.055 MB LDB: ============== END OF LOAD BALANCING =============== 12984.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12984.3 PRESSURE: 4484400 -58.3897 -92.8199 -42.6641 -92.82 -282.681 -31.396 -42.6645 -31.3976 -168.393 GPRESSURE: 4484400 -36.4159 12.7888 -80.5594 -140.112 -222.902 -50.0196 -68.8181 -28.7011 -140.245 PRESSAVG: 4484400 -13.8731 -2.75721 -10.4758 -2.75715 -12.4995 17.5785 -10.4759 17.5785 29.4381 GPRESSAVG: 4484400 -16.2304 -1.31015 -10.7191 -3.32728 -11.4744 19.5766 -13.5701 15.3167 30.9482 TIMING: 4484400 CPU: 12981.2, 0.0029504/step Wall: 12981.2, 0.0029504/step, 0.422563 hours remaining, 211.363281 MB of memory in use. ENERGY: 4484400 752.7010 2092.3281 1963.8403 110.9410 -205866.8416 17672.3933 0.0000 0.0000 34186.9410 -149087.6968 298.5631 -183274.6378 -148994.4384 299.8986 -169.8214 -133.1876 559014.4711 1.0218 1.0811 PRESSURE: 4484600 -78.992 -125.471 -46.5619 -125.472 -75.4719 2.28033 -46.5622 2.28096 87.0444 GPRESSURE: 4484600 -4.09726 -3.4823 -47.7184 -67.8362 -71.9175 -64.8521 -50.6461 -14.2189 106.351 PRESSAVG: 4484600 51.6808 -14.7282 -52.8871 -14.7283 -56.818 -1.63337 -52.8872 -1.63349 29.5763 GPRESSAVG: 4484600 52.0894 -14.6043 -51.7483 -14.3543 -56.4609 -3.07118 -50.4206 0.578567 28.2848 TIMING: 4484600 CPU: 12981.8, 0.00290483/step Wall: 12981.8, 0.00290483/step, 0.415875 hours remaining, 211.566406 MB of memory in use. ENERGY: 4484600 678.5303 2086.3440 1947.9154 111.9600 -206347.1189 17923.9832 0.0000 0.0000 34259.3719 -149339.0141 299.1956 -183598.3861 -149235.7693 299.7472 -22.4731 10.1123 559578.9682 8.1464 7.9711 PRESSURE: 4484800 6.90576 14.6617 121.43 14.6615 44.6584 -101.907 121.429 -101.908 17.2282 GPRESSURE: 4484800 120.609 69.7496 61.4057 -30.9331 2.88047 -199.615 142.381 -79.8517 44.3085 PRESSAVG: 4484800 41.0887 31.9189 16.5071 31.9188 -7.547 15.7364 16.5071 15.7364 -31.9341 GPRESSAVG: 4484800 41.7862 30.6467 16.6033 32.6151 -8.04321 17.0215 16.2144 13.0436 -31.9515 TIMING: 4484800 CPU: 12982.4, 0.00286454/step Wall: 12982.4, 0.00286454/step, 0.409948 hours remaining, 211.566406 MB of memory in use. ENERGY: 4484800 732.1501 2084.4788 1959.8791 117.8153 -206398.4040 17926.6529 0.0000 0.0000 34419.9139 -149157.5140 300.5977 -183577.4279 -149065.1034 299.4636 22.9308 55.9328 557981.1936 0.5359 0.5971 PRESSURE: 4485000 -239.393 -102.181 -61.9335 -102.182 139.267 24.0725 -61.9343 24.0743 -23.8466 GPRESSURE: 4485000 -259.651 -34.6153 7.95188 -126.008 252.88 -43.7329 -97.7801 -26.7215 -18.2381 PRESSAVG: 4485000 -19.6422 -5.61965 39.1655 -5.61965 65.5346 -1.1856 39.1656 -1.18554 6.17143 GPRESSAVG: 4485000 -19.5276 -4.79914 37.7005 -6.47884 65.9791 -1.54713 39.8093 0.964999 5.76983 TIMING: 4485000 CPU: 12982.9, 0.00288896/step Wall: 12982.9, 0.00288896/step, 0.413281 hours remaining, 211.566406 MB of memory in use. ENERGY: 4485000 733.8070 2213.0366 1941.9101 118.0371 -205850.9378 17557.5155 0.0000 0.0000 34091.5484 -149195.0831 297.7300 -183286.6315 -149097.4149 299.8054 -41.3245 -8.3364 556835.5111 17.3546 17.4071 PRESSURE: 4485200 116.223 130.429 -96.6842 130.431 429.57 83.7324 -96.6832 83.7332 -21.6391 GPRESSURE: 4485200 149.471 191.249 -74.3899 139.972 463.688 83.9272 -31.2348 76.6667 -1.94512 PRESSAVG: 4485200 -60.2438 18.4204 -12.71 18.4205 77.559 29.1695 -12.7101 29.1696 -41.8372 GPRESSAVG: 4485200 -60.2212 14.9533 -10.4656 19.661 77.1778 28.1565 -15.3655 28.1399 -41.1925 TIMING: 4485200 CPU: 12983.5, 0.00288699/step Wall: 12983.5, 0.00288699/step, 0.412839 hours remaining, 211.566406 MB of memory in use. ENERGY: 4485200 737.1071 2089.1343 1949.6149 105.3249 -206787.2725 18188.6670 0.0000 0.0000 34450.6450 -149266.7793 300.8661 -183717.4243 -149177.3949 298.4972 174.7181 203.7380 555635.1017 -8.1740 -8.0786 PRESSURE: 4485400 174.591 105.753 87.2728 105.755 134.716 134.773 87.2728 134.774 -15.7012 GPRESSURE: 4485400 185.223 104.167 133.41 46.4293 137.266 187.443 138.063 106.989 62.5873 PRESSAVG: 4485400 12.0105 -5.03092 24.5437 -5.03095 29.162 35.649 24.5437 35.6491 -22.0329 GPRESSAVG: 4485400 12.1235 -4.27794 22.3079 -4.45524 29.0324 36.7051 26.4403 36.8373 -21.543 TIMING: 4485400 CPU: 12984.1, 0.00289006/step Wall: 12984.1, 0.00289006/step, 0.413118 hours remaining, 211.566406 MB of memory in use. ENERGY: 4485400 754.5148 2134.1357 1956.2792 116.6398 -206688.9063 17965.7192 0.0000 0.0000 34449.0306 -149312.5871 300.8520 -183761.6177 -149211.9767 299.1356 97.8687 128.3588 555116.3473 6.3799 6.5376 PRESSURE: 4485600 -213.309 13.4756 105.394 13.4746 -109.544 -38.7585 105.395 -38.7578 186.487 GPRESSURE: 4485600 -180.272 50.4185 38.3831 3.01883 -70.6985 0.83932 106.065 -3.91717 198.936 PRESSAVG: 4485600 15.531 38.2775 -35.711 38.2775 -101.072 -6.37284 -35.7111 -6.37292 68.6496 GPRESSAVG: 4485600 14.4384 41.4676 -35.0488 35.2501 -101.295 -6.39612 -35.7662 -6.57834 69.6394 TIMING: 4485600 CPU: 12984.7, 0.00288846/step Wall: 12984.7, 0.00288846/step, 0.412729 hours remaining, 211.566406 MB of memory in use. ENERGY: 4485600 738.2792 2139.5399 1960.9949 124.7931 -206123.3829 17752.4833 0.0000 0.0000 34174.4404 -149232.8520 298.4539 -183407.2924 -149139.5873 298.9334 -45.4552 -17.3449 556996.1096 -5.6303 -5.7390 PRESSURE: 4485800 64.5642 71.0693 104.56 71.0685 -196.689 -174.571 104.56 -174.57 -118.785 GPRESSURE: 4485800 30.9969 37.9101 45.1869 53.8082 -91.5718 -156.793 124.599 -103.542 -96.4822 PRESSAVG: 4485800 -38.6342 48.7943 8.94082 48.7943 2.26545 9.60616 8.94081 9.6063 19.3811 GPRESSAVG: 4485800 -37.9989 45.7215 10.5221 51.8331 3.34806 9.98507 7.52631 8.9452 18.1785 TIMING: 4485800 CPU: 12985.3, 0.00289309/step Wall: 12985.3, 0.00289309/step, 0.41323 hours remaining, 211.566406 MB of memory in use. ENERGY: 4485800 754.1331 2109.7481 1938.0905 100.3865 -205753.6668 17638.6009 0.0000 0.0000 34174.1903 -149038.5174 298.4517 -183212.7077 -148940.8101 299.2348 -83.6366 -52.3524 558159.7518 -5.6626 -5.4908 PRESSURE: 4486000 -29.1469 178.922 51.5339 178.922 -109.685 -30.3234 51.535 -30.3231 -232.909 GPRESSURE: 4486000 33.5609 215.487 32.7328 175.991 -93.1389 -73.6021 15.8855 -4.85973 -212.838 PRESSAVG: 4486000 15.338 54.2721 10.4117 54.2721 -19.9274 -43.167 10.4116 -43.1669 -8.37752 GPRESSAVG: 4486000 16.2309 56.2913 8.79375 53.2799 -21.5738 -42.9226 11.7398 -43.0278 -8.2258 TIMING: 4486000 CPU: 12985.8, 0.00287955/step Wall: 12985.8, 0.00287955/step, 0.411135 hours remaining, 211.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4486000 743.7095 2100.2845 1909.5465 128.0490 -206184.1271 17827.0512 0.0000 0.0000 34368.7758 -149106.7107 300.1511 -183475.4865 -149006.5781 299.1404 -123.9138 -90.8054 559367.7488 -4.3223 -4.5229 PRESSURE: 4486200 -32.084 2.11518 2.80944 2.11498 -231.398 141.875 2.80885 141.876 85.2177 GPRESSURE: 4486200 25.4726 73.2712 -50.6798 -69.6826 -192.791 163.887 38.8635 92.671 83.3987 PRESSAVG: 4486200 29.5513 -10.4071 -11.9788 -10.407 -33.7855 -23.9763 -11.9789 -23.9762 -5.33279 GPRESSAVG: 4486200 29.6226 -10.8582 -12.177 -11.436 -32.0907 -24.3438 -13.4288 -23.7829 -6.94881 TIMING: 4486200 CPU: 12986.4, 0.00287701/step Wall: 12986.4, 0.00287701/step, 0.410613 hours remaining, 211.566406 MB of memory in use. ENERGY: 4486200 728.1329 2088.1873 1928.7556 113.6220 -206041.6243 17766.7344 0.0000 0.0000 34245.2556 -149170.9365 299.0723 -183416.1922 -149074.3473 298.9788 -59.4214 -27.9732 559680.3163 -3.1890 -3.1390 PRESSURE: 4486400 -100.614 30.8246 -63.8796 30.824 92.2055 -17.4281 -63.8813 -17.4283 -123.089 GPRESSURE: 4486400 -68.1574 13.9899 -28.4566 -0.536099 94.3436 -1.98115 -123.613 -60.8476 -62.3226 PRESSAVG: 4486400 22.0514 25.9751 -9.87865 25.9752 -56.8199 22.6203 -9.87864 22.6204 69.4322 GPRESSAVG: 4486400 20.8821 27.3974 -8.12014 25.5573 -56.1002 22.5166 -10.1632 22.5901 70.2845 TIMING: 4486400 CPU: 12987, 0.00286706/step Wall: 12987, 0.00286706/step, 0.409034 hours remaining, 211.566406 MB of memory in use. ENERGY: 4486400 766.5486 2062.2950 1926.7898 114.7860 -206364.3166 17919.9979 0.0000 0.0000 34358.9472 -149214.9520 300.0652 -183573.8993 -149118.1176 298.8615 -43.8324 -12.0455 557357.7398 11.5546 11.6888 PRESSURE: 4486600 128.029 -86.0261 -178.255 -86.0253 69.3475 -208.727 -178.254 -208.729 28.7023 GPRESSURE: 4486600 172.696 -4.65505 -197.764 -149.991 77.2089 -187.947 -148.44 -219.029 60.4788 PRESSAVG: 4486600 3.65121 5.99022 -26.568 5.99021 -11.8088 28.5275 -26.5679 28.5275 11.6097 GPRESSAVG: 4486600 4.61844 6.39156 -29.6898 6.86613 -13.073 29.3967 -25.7157 28.7873 11.7599 TIMING: 4486600 CPU: 12987.6, 0.0028672/step Wall: 12987.6, 0.0028672/step, 0.408894 hours remaining, 211.566406 MB of memory in use. ENERGY: 4486600 748.2932 2037.5317 1934.6226 105.5703 -206014.5531 17838.2684 0.0000 0.0000 34247.1039 -149103.1630 299.0885 -183350.2669 -149008.6490 299.4713 75.3595 103.4613 558553.9055 1.1507 1.1018 PRESSURE: 4486800 -199.515 -138.935 -132.084 -138.935 -105.685 169.812 -132.086 169.813 19.242 GPRESSURE: 4486800 -142.972 -176.275 -43.5697 -84.1186 -37.4057 92.9674 -92.6896 167.812 1.79171 PRESSAVG: 4486800 -54.0975 22.0205 29.9163 22.0204 -16.5737 86.6697 29.9163 86.6696 32.63 GPRESSAVG: 4486800 -54.5782 20.9484 31.3871 21.3773 -15.9893 86.0974 30.1314 84.5249 32.7383 TIMING: 4486800 CPU: 12988.1, 0.00289107/step Wall: 12988.1, 0.00289107/step, 0.412138 hours remaining, 211.566406 MB of memory in use. ENERGY: 4486800 783.2711 2129.9095 1932.1379 121.2114 -206059.8173 17693.3050 0.0000 0.0000 34289.0388 -149110.9436 299.4547 -183399.9824 -149018.1316 299.2312 -95.3192 -59.5285 557762.1340 -12.6804 -12.6097 PRESSURE: 4487000 46.9332 68.8193 -13.2526 68.8209 104.911 -30.8007 -13.2517 -30.8 -213.76 GPRESSURE: 4487000 73.7741 35.6617 62.312 72.9334 193.404 -12.5706 -30.3262 1.79778 -230.123 PRESSAVG: 4487000 22.6202 -29.2421 17.268 -29.2421 9.92626 36.5225 17.268 36.5225 -4.22808 GPRESSAVG: 4487000 21.7034 -30.5866 17.2717 -27.3732 9.58035 37.0457 16.4141 37.7004 -2.72875 TIMING: 4487000 CPU: 12988.7, 0.00291255/step Wall: 12988.7, 0.00291255/step, 0.415039 hours remaining, 211.566406 MB of memory in use. ENERGY: 4487000 755.5262 2055.8043 1943.8852 98.6841 -205912.2466 17719.5910 0.0000 0.0000 34374.7632 -148963.9927 300.2034 -183338.7559 -148860.5256 299.2019 -20.6385 12.3518 556832.4347 9.4395 9.5183 PRESSURE: 4487200 -150.028 -6.79198 66.2084 -6.79022 -151.531 96.6669 66.2082 96.666 -153.471 GPRESSURE: 4487200 -95.0308 -53.8906 131.642 63.3755 -123.719 115.2 -5.75656 70.1288 -138.301 PRESSAVG: 4487200 -74.3257 -1.03 16.6426 -1.03002 7.37628 53.2947 16.6427 53.2947 49.2705 GPRESSAVG: 4487200 -73.4602 0.113023 18.5876 -1.3817 6.79713 54.3782 15.0377 52.7809 48.7439 TIMING: 4487200 CPU: 12989.3, 0.00290547/step Wall: 12989.3, 0.00290547/step, 0.413869 hours remaining, 211.566406 MB of memory in use. ENERGY: 4487200 761.3593 2057.6944 1894.3416 113.3220 -206072.0976 17681.1387 0.0000 0.0000 34560.4026 -149003.8391 301.8246 -183564.2417 -148903.7929 299.8847 -151.6765 -119.0171 556937.0017 -5.8930 -5.9731 PRESSURE: 4487400 5.86183 -122.662 -67.1499 -122.661 -179.247 -7.65384 -67.1504 -7.65412 -305.372 GPRESSURE: 4487400 7.41305 -246.391 -129.358 -31.9827 -109.808 -16.4662 24.5536 102.754 -272.892 PRESSAVG: 4487400 -17.4816 5.79291 1.14705 5.79287 -30.1069 6.31256 1.14707 6.31261 94.7136 GPRESSAVG: 4487400 -17.5493 6.03735 -0.791828 6.58246 -29.7178 4.99151 4.19743 6.86695 94.6444 TIMING: 4487400 CPU: 12989.9, 0.00290548/step Wall: 12989.9, 0.00290548/step, 0.413709 hours remaining, 211.566406 MB of memory in use. ENERGY: 4487400 754.2153 2110.6539 1918.5476 125.7311 -205555.9427 17418.6932 0.0000 0.0000 34240.7467 -148987.3549 299.0330 -183228.1016 -148890.7133 300.2115 -159.5856 -125.0959 557817.7270 15.7084 15.7924 PRESSURE: 4487600 115.385 -220.717 -6.38906 -220.716 -106.926 40.0741 -6.38854 40.0735 -102.592 GPRESSURE: 4487600 131.982 -230.308 89.0095 -208.269 -95.9533 -16.2127 -0.33401 4.7592 -26.9748 PRESSAVG: 4487600 19.1332 -22.5736 -14.4957 -22.5735 8.56184 -29.2073 -14.4956 -29.2073 -6.089 GPRESSAVG: 4487600 19.3691 -22.312 -12.5747 -24.0024 9.71944 -28.04 -16.7738 -30.6084 -6.96547 TIMING: 4487600 CPU: 12990.5, 0.00288679/step Wall: 12990.5, 0.00288679/step, 0.410887 hours remaining, 211.566406 MB of memory in use. ENERGY: 4487600 737.6126 2085.1676 1962.1791 108.8070 -206221.4691 17820.0113 0.0000 0.0000 34491.3363 -149016.3554 301.2214 -183507.6916 -148922.1421 299.5662 -31.3779 3.0180 558036.7320 7.2020 7.3743 PRESSURE: 4487800 124.494 154.908 -18.6184 154.908 44.9847 81.6767 -18.6173 81.676 -131.557 GPRESSURE: 4487800 114.619 304.65 63.2903 -33.313 53.048 58.761 -72.6481 63.7313 -30.0107 PRESSAVG: 4487800 -3.53127 17.0121 -10.4593 17.0121 7.26408 -27.4724 -10.4593 -27.4723 -28.4608 GPRESSAVG: 4487800 -4.11125 17.0167 -12.3866 17.1282 6.84727 -27.9028 -8.75267 -25.5829 -27.4495 TIMING: 4487800 CPU: 12991, 0.0028937/step Wall: 12991, 0.0028937/step, 0.411709 hours remaining, 211.566406 MB of memory in use. ENERGY: 4487800 762.4393 2096.0731 1945.4053 110.2931 -206151.5901 17870.6695 0.0000 0.0000 34336.6209 -149030.0889 299.8703 -183366.7098 -148931.0071 299.9517 12.6407 45.8853 559354.9190 -8.2427 -8.2378 PRESSURE: 4488000 58.7193 103.006 -25.4365 103.006 286.095 -161.847 -25.4375 -161.847 93.4881 GPRESSURE: 4488000 134.461 90.8257 -51.0326 49.0555 282.964 -102.862 -66.0355 -228.574 129.874 PRESSAVG: 4488000 45.1323 36.6948 -14.7109 36.6948 4.72243 -2.77531 -14.7108 -2.77526 -56.2641 GPRESSAVG: 4488000 46.2342 36.3185 -16.395 37.4413 4.27086 -1.8301 -13.8213 -1.56675 -56.3931 TIMING: 4488000 CPU: 12991.6, 0.0028747/step Wall: 12991.6, 0.0028747/step, 0.408847 hours remaining, 211.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4488000 739.7721 2076.4621 1940.0538 117.6674 -206420.5974 18123.9761 0.0000 0.0000 34326.6875 -149095.9785 299.7835 -183422.6660 -148997.4541 299.3802 146.1008 182.4332 557164.4430 -2.1365 -1.9627 PRESSURE: 4488200 237.263 -87.0209 44.1333 -87.0195 8.48692 -134.443 44.1331 -134.444 -153.808 GPRESSURE: 4488200 255.843 -86.8311 41.8589 -93.7523 93.4348 -199.998 24.1118 -101.624 -169.053 PRESSAVG: 4488200 34.8644 19.4873 29.0383 19.4873 62.1113 -12.0479 29.0384 -12.0479 -29.6513 GPRESSAVG: 4488200 35.0513 18.1495 30.976 19.5354 62.6045 -12.8754 26.7191 -13.9323 -30.2649 TIMING: 4488200 CPU: 12992.2, 0.00286794/step Wall: 12992.2, 0.00286794/step, 0.407726 hours remaining, 211.566406 MB of memory in use. ENERGY: 4488200 760.1274 2034.3611 1964.4229 112.7738 -206306.3689 18012.7596 0.0000 0.0000 34399.4397 -149022.4845 300.4189 -183421.9242 -148921.8658 299.4710 30.6473 60.0749 557390.8347 22.4415 22.4636 LDB: ============= START OF LOAD BALANCING ============== 12995.6 LDB: ============== END OF LOAD BALANCING =============== 12995.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12995.6 LDB: ============= START OF LOAD BALANCING ============== 12995.9 LDB: Largest compute 4773 load 0.024544 is 20.8% of average load 0.118102 LDB: Average compute 0.001731 is 1.5% of average load 0.118102 LDB: TIME 12995.9 LOAD: AVG 0.118102 MAX 0.180313 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.82 MB LDB: TIME 12995.9 LOAD: AVG 0.118102 MAX 0.180313 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.82 MB LDB: TIME 12995.9 LOAD: AVG 0.118102 MAX 0.180313 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.82 MB LDB: ============== END OF LOAD BALANCING =============== 12995.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12995.9 PRESSURE: 4488400 111.863 75.7447 2.96966 75.7449 140.869 199.796 2.96863 199.794 -72.7517 GPRESSURE: 4488400 148.074 -81.5507 43.7702 180.649 217.164 124.715 -18.1679 221.084 -87.7343 PRESSAVG: 4488400 -44.2461 -24.2701 18.8612 -24.2701 18.6519 -9.63079 18.8611 -9.63082 34.821 GPRESSAVG: 4488400 -44.9839 -23.7932 18.1627 -24.1753 18.3301 -10.6683 20.3744 -7.89375 35.4495 TIMING: 4488400 CPU: 12992.8, 0.00292959/step Wall: 12992.8, 0.00292959/step, 0.416327 hours remaining, 210.152344 MB of memory in use. ENERGY: 4488400 755.7935 2051.7747 1983.6208 113.3866 -206016.4344 17859.2144 0.0000 0.0000 34214.7782 -149037.8661 298.8062 -183252.6443 -148944.3887 299.7141 59.9936 92.5013 557602.2217 3.0756 2.9319 PRESSURE: 4488600 272.372 133.601 -13.0943 133.6 0.0847957 119.971 -13.0937 119.972 131.359 GPRESSURE: 4488600 285.272 77.1938 30.7879 181.028 16.4964 41.3917 -54.3523 140.282 193.728 PRESSAVG: 4488600 65.4825 19.2662 -7.87918 19.2662 -57.9781 34.0358 -7.87912 34.0358 -0.825122 GPRESSAVG: 4488600 64.275 19.2189 -6.64494 18.0421 -58.2176 34.082 -9.1417 33.4149 0.528917 TIMING: 4488600 CPU: 12993.3, 0.002864/step Wall: 12993.3, 0.002864/step, 0.406847 hours remaining, 210.355469 MB of memory in use. ENERGY: 4488600 736.5485 2093.2686 1943.9429 107.5199 -206336.2085 18010.0559 0.0000 0.0000 34117.5925 -149327.2803 297.9574 -183444.8727 -149232.2534 299.5129 134.6051 165.1657 556549.5072 2.2264 2.1954 PRESSURE: 4488800 146.064 44.7057 -24.9227 44.7057 190.102 92.2065 -24.9236 92.2072 -30.0222 GPRESSURE: 4488800 225.59 12.6043 -49.0085 19.5341 208.011 72.9508 -5.20785 139.255 -24.7665 PRESSAVG: 4488800 -42.0669 11.5126 -7.79799 11.5127 -64.4003 -7.68177 -7.79792 -7.68168 127.339 GPRESSAVG: 4488800 -41.5268 12.6368 -8.95866 11.8927 -65.2669 -4.8639 -5.52455 -10.7106 127.531 TIMING: 4488800 CPU: 12993.9, 0.0028791/step Wall: 12993.9, 0.0028791/step, 0.408832 hours remaining, 210.355469 MB of memory in use. ENERGY: 4488800 758.8495 2137.1771 1942.2905 102.9978 -206584.1317 18132.5312 0.0000 0.0000 34252.8531 -149257.4324 299.1387 -183510.2855 -149169.9859 299.0306 102.0479 136.2783 557695.1112 6.9574 6.9126 PRESSURE: 4489000 -24.6729 -33.3912 225.737 -33.3909 -201.525 -115.845 225.736 -115.846 101.084 GPRESSURE: 4489000 1.11585 -62.8711 225.373 -50.5365 -125.107 -142.516 191.41 -135.956 94.0615 PRESSAVG: 4489000 24.1922 -17.9127 44.5983 -17.9127 -41.7746 -36.7622 44.5984 -36.762 43.6542 GPRESSAVG: 4489000 24.7109 -18.7855 45.8686 -16.8086 -40.9978 -38.7211 43.2221 -34.6517 42.1402 TIMING: 4489000 CPU: 12994.5, 0.00287795/step Wall: 12994.5, 0.00287795/step, 0.40851 hours remaining, 210.355469 MB of memory in use. ENERGY: 4489000 710.1888 2106.1757 1952.1536 104.6432 -206370.2037 17835.3392 0.0000 0.0000 34278.8798 -149382.8233 299.3660 -183661.7031 -149281.5504 299.1510 -41.7048 -9.9765 558625.6488 8.6906 8.6178 PRESSURE: 4489200 -106.352 -152.128 20.9781 -152.128 -152.362 -70.3925 20.9782 -70.3915 -161.084 GPRESSURE: 4489200 -98.5227 -115.14 -65.4348 -250.677 -116.54 -54.556 151.566 -59.6626 -114.922 PRESSAVG: 4489200 3.15655 -31.2144 45.7953 -31.2143 27.0089 -15.2054 45.7953 -15.2054 -38.6408 GPRESSAVG: 4489200 3.17397 -29.4376 44.6448 -32.9176 26.9793 -15.6224 46.7528 -14.9462 -39.2821 TIMING: 4489200 CPU: 12995.1, 0.00289557/step Wall: 12995.1, 0.00289557/step, 0.410849 hours remaining, 210.355469 MB of memory in use. ENERGY: 4489200 732.5138 2034.5679 1913.9667 116.3089 -206053.7089 17639.1540 0.0000 0.0000 34064.2962 -149552.9014 297.4920 -183617.1976 -149456.9573 298.8784 -139.9327 -109.9950 557248.7393 -2.8251 -3.0430 PRESSURE: 4489400 -89.1447 101.499 -1.37136 101.499 -288.715 270.033 -1.37134 270.032 -215.17 GPRESSURE: 4489400 -30.3461 105.199 4.96218 40.9852 -269.313 227.826 18.8488 275.136 -198.428 PRESSAVG: 4489400 -15.5197 -2.08507 -8.69297 -2.08504 -44.4521 -15.0403 -8.693 -15.0404 46.2304 GPRESSAVG: 4489400 -16.9096 -3.78803 -6.73832 -0.475597 -44.1115 -13.6217 -8.5102 -15.5034 47.537 TIMING: 4489400 CPU: 12995.6, 0.00288374/step Wall: 12995.6, 0.00288374/step, 0.409011 hours remaining, 210.355469 MB of memory in use. ENERGY: 4489400 748.0835 2060.5334 1953.9391 120.7586 -206345.8175 17534.6842 0.0000 0.0000 34221.5054 -149706.3133 298.8649 -183927.8186 -149609.8850 298.2761 -197.6765 -166.0289 556137.2755 -4.5805 -4.4947 PRESSURE: 4489600 24.3925 -87.6471 -139.88 -87.6468 88.5672 -71.4764 -139.88 -71.4754 341.749 GPRESSURE: 4489600 -12.2823 -112.43 -168.605 -149.718 168.001 -58.4586 -74.8461 -67.2048 392.434 PRESSAVG: 4489600 24.787 58.5736 -33.5253 58.5736 -6.93721 -5.92375 -33.5253 -5.92375 1.21396 GPRESSAVG: 4489600 25.4353 58.2512 -33.6552 59.7545 -7.3614 -5.64266 -35.412 -5.5189 1.73375 TIMING: 4489600 CPU: 12996.2, 0.00288366/step Wall: 12996.2, 0.00288366/step, 0.408839 hours remaining, 210.355469 MB of memory in use. ENERGY: 4489600 755.7428 2005.8180 1954.8011 114.8472 -206556.8784 18046.1196 0.0000 0.0000 34082.1611 -149597.3886 297.6480 -183679.5497 -149498.1673 298.4044 151.5697 182.7176 555398.1627 6.3546 6.6026 PRESSURE: 4489800 -269.436 64.108 32.3931 64.1065 -70.4491 -118.038 32.3926 -118.039 52.3691 GPRESSURE: 4489800 -196.591 14.0897 99.2331 28.1653 -31.8706 -196.59 -20.4377 -116.151 48.9902 PRESSAVG: 4489800 9.47739 35.1061 2.91217 35.106 5.13993 39.8601 2.91228 39.8602 6.3736 GPRESSAVG: 4489800 10.9807 37.1629 2.74609 33.89 3.44243 39.3177 3.24882 38.0175 6.53554 TIMING: 4489800 CPU: 12996.8, 0.00286485/step Wall: 12996.8, 0.00286485/step, 0.406013 hours remaining, 210.355469 MB of memory in use. ENERGY: 4489800 727.4747 2027.4380 1945.0188 115.7452 -206165.8464 17720.3296 0.0000 0.0000 34291.8010 -149338.0392 299.4788 -183629.8402 -149242.2028 298.9702 -95.8386 -59.8239 557682.4072 6.9970 6.9862 PRESSURE: 4490000 -142.424 74.6228 -70.7113 74.6227 -159.815 -214.815 -70.7108 -214.814 -127.285 GPRESSURE: 4490000 -119.046 121.572 -62.2042 3.86804 -55.0304 -317.972 -5.85095 -215.409 -148.522 PRESSAVG: 4490000 31.3681 52.7764 -7.27299 52.7764 -43.9731 -31.3457 -7.27301 -31.3459 30.4876 GPRESSAVG: 4490000 30.2365 53.1411 -6.94345 51.5132 -41.3608 -31.9239 -6.38776 -31.3793 28.9524 TIMING: 4490000 CPU: 12997.4, 0.00287374/step Wall: 12997.4, 0.00287374/step, 0.407114 hours remaining, 210.355469 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: 4490000 702.1645 2035.6360 1948.2482 114.0558 -205757.0164 17553.5634 0.0000 0.0000 34023.6010 -149379.7474 297.1366 -183403.3484 -149293.6480 298.9752 -143.1744 -107.5328 558618.2674 5.9609 5.9427 PRESSURE: 4490200 55.2851 59.4446 -4.56257 59.4448 -292.706 87.3435 -4.56307 87.3446 -45.5641 GPRESSURE: 4490200 147.824 113.743 64.0777 24.4439 -269.983 171.155 -145.907 122.342 -62.8997 PRESSAVG: 4490200 26.1189 7.88569 4.14322 7.88575 11.2972 -7.30195 4.14319 -7.30207 -3.05492 GPRESSAVG: 4490200 26.7684 6.23275 3.49969 8.94517 10.7822 -6.88679 3.79955 -6.61371 -3.29141 TIMING: 4490200 CPU: 12997.9, 0.00290012/step Wall: 12997.9, 0.00290012/step, 0.410689 hours remaining, 210.355469 MB of memory in use. ENERGY: 4490200 779.8268 2071.9741 1970.1915 110.7287 -206375.8208 17747.3672 0.0000 0.0000 34242.7324 -149453.0001 299.0503 -183695.7324 -149355.2536 298.3928 -94.3284 -61.6860 557388.7703 11.4537 11.4197 PRESSURE: 4490400 -53.3686 3.91859 -191.208 3.91805 -150.497 -38.7633 -191.206 -38.7657 -73.5528 GPRESSURE: 4490400 -2.59813 46.8232 -102.835 78.5586 -110.474 -79.9911 -154.213 -27.39 -54.2647 PRESSAVG: 4490400 22.5276 -25.5641 -57.9363 -25.5641 66.2675 -8.73162 -57.9363 -8.73155 -73.8553 GPRESSAVG: 4490400 22.3553 -26.8171 -56.233 -24.3109 65.9158 -9.17379 -59.4628 -10.6665 -72.8207 TIMING: 4490400 CPU: 12998.5, 0.00290007/step Wall: 12998.5, 0.00290007/step, 0.410521 hours remaining, 210.355469 MB of memory in use. ENERGY: 4490400 760.6217 2026.8672 1949.9374 118.5926 -205940.6027 17761.3718 0.0000 0.0000 33973.2779 -149349.9341 296.6971 -183323.2120 -149260.4670 298.4026 -92.4728 -55.7790 558927.8387 4.9799 5.1501 PRESSURE: 4490600 -74.8302 30.8092 -21.919 30.8092 251.546 -82.6514 -21.919 -82.6499 77.5227 GPRESSURE: 4490600 -94.9766 21.1844 -62.4357 19.0745 317.016 -27.67 83.2243 -71.032 130.554 PRESSAVG: 4490600 -7.28306 28.534 -37.6194 28.5341 -4.28158 -26.3842 -37.6194 -26.3841 -8.54426 GPRESSAVG: 4490600 -8.19019 27.5704 -39.168 28.2722 -4.29647 -23.995 -35.4137 -25.438 -8.13945 TIMING: 4490600 CPU: 12999.1, 0.00288625/step Wall: 12999.1, 0.00288625/step, 0.408404 hours remaining, 210.355469 MB of memory in use. ENERGY: 4490600 765.5950 2019.0750 1966.3500 123.8822 -206322.5934 17946.0727 0.0000 0.0000 34199.9925 -149301.6260 298.6770 -183501.6185 -149202.4369 298.4277 84.7462 117.5312 555722.2632 -6.7030 -6.8754 PRESSURE: 4490800 49.0454 -155.931 3.65541 -155.932 6.33817 -52.5551 3.65564 -52.5556 59.3474 GPRESSURE: 4490800 64.3658 -147.031 -26.0768 -182.686 8.99337 -173.464 -71.0672 -47.5915 133.201 PRESSAVG: 4490800 -32.4625 -31.747 -53.042 -31.7471 -3.7359 36.8597 -53.042 36.8598 42.721 GPRESSAVG: 4490800 -32.9483 -28.9328 -53.8089 -34.7579 -4.04339 33.0228 -53.6606 39.173 42.7343 TIMING: 4490800 CPU: 12999.7, 0.00288007/step Wall: 12999.7, 0.00288007/step, 0.40737 hours remaining, 210.355469 MB of memory in use. ENERGY: 4490800 738.4294 2054.7019 1928.8782 116.3809 -206110.7322 17833.6385 0.0000 0.0000 34179.8491 -149258.8543 298.5011 -183438.7034 -149164.8798 298.5776 38.2436 68.8536 556289.9815 2.1742 1.9142 PRESSURE: 4491000 -133.413 -54.4423 67.8805 -54.4423 -111.527 -98.7097 67.881 -98.7096 -49.7864 GPRESSURE: 4491000 -170.242 -152.431 116.656 -44.848 23.3764 -151.213 73.5971 -30.9865 -44.6077 PRESSAVG: 4491000 -40.6919 -1.38162 -23.2458 -1.38155 8.37164 -27.0132 -23.2458 -27.0133 36.0923 GPRESSAVG: 4491000 -38.3511 -3.90278 -21.4622 2.55362 8.15679 -23.8919 -21.6589 -29.4022 33.444 TIMING: 4491000 CPU: 13000.3, 0.00287206/step Wall: 13000.3, 0.00287206/step, 0.406077 hours remaining, 210.355469 MB of memory in use. ENERGY: 4491000 760.9501 2012.8632 1933.8696 120.2242 -206148.9835 17684.7242 0.0000 0.0000 34388.9905 -149247.3618 300.3276 -183636.3523 -149152.8913 299.3631 -98.2419 -63.8244 556834.6663 1.2573 1.0832 PRESSURE: 4491200 -144.783 -27.6428 100.289 -27.6434 -4.81066 -98.7065 100.288 -98.7081 -216.057 GPRESSURE: 4491200 -98.5823 -19.2606 -12.3089 -26.4732 -15.7795 -35.7636 180.903 -141.91 -155.244 PRESSAVG: 4491200 -38.8704 28.8607 19.9595 28.8607 26.317 -60.549 19.9595 -60.5489 -25.6089 GPRESSAVG: 4491200 -40.0596 29.562 19.017 28.5756 26.3879 -62.74 18.9271 -58.8223 -24.4746 TIMING: 4491200 CPU: 13000.8, 0.00288742/step Wall: 13000.8, 0.00288742/step, 0.408089 hours remaining, 210.355469 MB of memory in use. ENERGY: 4491200 751.1795 2032.8922 1942.7644 117.0049 -206050.4768 17639.1640 0.0000 0.0000 34234.1109 -149333.3608 298.9750 -183567.4717 -149231.6007 299.6097 -121.8835 -89.8687 556900.7157 -12.7207 -12.7154 PRESSURE: 4491400 -353.976 175.848 146.763 175.848 90.7112 99.0425 146.763 99.0421 -313.915 GPRESSURE: 4491400 -282.977 194.717 85.0951 158.025 82.3823 3.64769 190.757 90.6394 -288.609 PRESSAVG: 4491400 41.641 0.762248 -73.7319 0.762199 -3.2753 14.0739 -73.7317 14.0739 -43.8795 GPRESSAVG: 4491400 43.1775 -0.759638 -73.7498 1.62944 -4.0921 15.6576 -74.1168 11.3468 -44.6235 TIMING: 4491400 CPU: 13001.4, 0.00288422/step Wall: 13001.4, 0.00288422/step, 0.407476 hours remaining, 210.355469 MB of memory in use. ENERGY: 4491400 754.4993 2101.8326 1920.4872 122.8490 -205904.4447 17516.8722 0.0000 0.0000 34198.2106 -149289.6938 298.6615 -183487.9044 -149198.3917 298.5398 -192.3936 -163.0682 558599.0355 -1.8379 -1.8460 PRESSURE: 4491600 206.863 54.5322 86.7129 54.5329 -67.9181 -74.8332 86.7135 -74.8331 137.546 GPRESSURE: 4491600 231.941 179.516 36.5849 27.2554 -53.9824 -98.4019 125.183 -46.7606 189.893 PRESSAVG: 4491600 -30.4203 4.4069 44.0423 4.40685 41.0073 -2.67246 44.0422 -2.67256 -20.0927 GPRESSAVG: 4491600 -32.0757 5.48054 45.7092 3.1952 40.9393 -3.89489 43.0389 -1.20638 -18.5563 TIMING: 4491600 CPU: 13002, 0.00288997/step Wall: 13002, 0.00288997/step, 0.408128 hours remaining, 210.355469 MB of memory in use. ENERGY: 4491600 717.4047 2059.5605 1945.8936 112.1193 -206123.0090 18044.6924 0.0000 0.0000 34189.9345 -149053.4039 298.5892 -183243.3384 -148957.5963 299.6436 92.1636 122.6170 557560.9238 -3.1686 -3.2309 PRESSURE: 4491800 93.9249 -30.3451 -46.7202 -30.345 100.045 58.8617 -46.7204 58.8632 -96.1039 GPRESSURE: 4491800 144.448 -123.635 -92.0573 -9.24238 135.593 -37.8306 -50.5317 178.675 -85.2279 PRESSAVG: 4491800 9.81092 29.2569 -4.65297 29.2569 1.7652 1.36435 -4.65297 1.36438 -42.9001 GPRESSAVG: 4491800 10.8567 29.9317 -6.06691 28.8955 0.851929 1.05751 -3.14135 2.16401 -43.4193 TIMING: 4491800 CPU: 13002.6, 0.00287382/step Wall: 13002.6, 0.00287382/step, 0.405688 hours remaining, 210.355469 MB of memory in use. ENERGY: 4491800 764.7493 2112.6568 1965.3712 121.0163 -205823.2932 17746.8601 0.0000 0.0000 34280.1774 -148832.4620 299.3773 -183112.6395 -148741.1104 299.7842 32.6221 64.9380 557447.8834 -10.4413 -10.5702 PRESSURE: 4492000 82.8858 -148.419 22.5139 -148.419 93.2462 -5.86633 22.5143 -5.86734 -152.394 GPRESSURE: 4492000 112.134 -131.058 104.603 -247.048 116.082 -10.7183 -17.3744 38.5063 -101.672 PRESSAVG: 4492000 59.2263 -11.7795 35.2219 -11.7795 -36.1778 -30.3294 35.2219 -30.3294 -12.1871 GPRESSAVG: 4492000 57.4749 -12.5416 33.4336 -11.4775 -34.9124 -28.8641 35.3241 -30.9209 -12.4909 TIMING: 4492000 CPU: 13003.1, 0.00285805/step Wall: 13003.1, 0.00285804/step, 0.403302 hours remaining, 210.355469 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: 4492000 758.5017 1985.8419 1943.4473 118.9103 -206026.1248 17792.9822 0.0000 0.0000 34454.7998 -148971.6415 300.9023 -183426.4413 -148872.3786 300.5616 7.9126 42.1814 558475.8524 3.6205 3.3572 PRESSURE: 4492200 -93.9918 90.3452 -3.0302 90.3434 -13.6686 -123.32 -3.03119 -123.322 -110.415 GPRESSURE: 4492200 -92.7809 89.3015 17.6211 98.7628 60.8389 -196.527 -32.82 -56.9702 -99.2738 PRESSAVG: 4492200 90.5522 20.3322 54.4416 20.3322 -78.9031 2.41567 54.4415 2.41568 -2.26112 GPRESSAVG: 4492200 90.9915 20.1751 56.4024 19.9924 -79.7228 2.85963 54.5452 2.04118 -2.18332 TIMING: 4492200 CPU: 13003.7, 0.00288422/step Wall: 13003.7, 0.00288422/step, 0.406835 hours remaining, 210.355469 MB of memory in use. ENERGY: 4492200 778.8291 2080.1149 1953.1185 110.7891 -205806.9449 17642.6233 0.0000 0.0000 34273.9633 -148967.5065 299.3230 -183241.4699 -148869.6490 300.2922 -72.6917 -43.7386 557257.7031 3.1293 3.0285 LDB: ============= START OF LOAD BALANCING ============== 13007.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13007.1 LDB: =============== DONE WITH MIGRATION ================ 13007.1 LDB: ============= START OF LOAD BALANCING ============== 13007.4 LDB: Largest compute 4773 load 0.024724 is 20.9% of average load 0.118058 LDB: Average compute 0.001726 is 1.5% of average load 0.118058 LDB: TIME 13007.4 LOAD: AVG 0.118058 MAX 0.17911 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.953 MB LDB: TIME 13007.4 LOAD: AVG 0.118058 MAX 0.17911 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: TIME 13007.4 LOAD: AVG 0.118058 MAX 0.17911 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13007.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13007.4 PRESSURE: 4492400 68.3558 143.951 -96.9464 143.951 84.8518 -44.8847 -96.9451 -44.8844 120.256 GPRESSURE: 4492400 130.061 87.5458 -157.754 123.866 150.448 -136.05 -23.5363 -89.8297 78.9967 PRESSAVG: 4492400 -9.07135 13.3632 16.0246 13.3633 10.9222 -29.4598 16.0246 -29.4598 9.86076 GPRESSAVG: 4492400 -9.8927 13.0939 15.5757 15.9158 12.0547 -29.8492 17.9922 -28.5151 9.66573 TIMING: 4492400 CPU: 13004.3, 0.0029417/step Wall: 13004.3, 0.0029417/step, 0.41478 hours remaining, 211.238281 MB of memory in use. ENERGY: 4492400 755.0890 2126.1206 1960.5692 113.0349 -206102.1442 17909.6737 0.0000 0.0000 34348.7372 -148888.9195 299.9761 -183237.6567 -148795.1351 300.8945 91.1544 119.8353 559240.2900 3.9039 3.9426 PRESSURE: 4492600 21.2894 129.436 28.6148 129.438 -182.606 -85.3263 28.6139 -85.3276 -10.7311 GPRESSURE: 4492600 52.1015 166.819 -21.7475 54.4 -92.5733 -82.8819 47.0015 -63.4099 -25.0695 PRESSAVG: 4492600 3.54345 44.4167 -3.4276 44.4166 -19.5807 -16.4533 -3.42752 -16.4533 48.8895 GPRESSAVG: 4492600 4.90283 43.4864 -2.78157 42.9475 -20.9685 -18.6693 -5.1309 -16.86 48.9573 TIMING: 4492600 CPU: 13004.9, 0.00286809/step Wall: 13004.9, 0.00286809/step, 0.404241 hours remaining, 211.441406 MB of memory in use. ENERGY: 4492600 790.1182 2075.6518 1934.9891 103.0118 -206228.3198 17890.9394 0.0000 0.0000 34345.8858 -149087.7238 299.9512 -183433.6095 -148985.5294 299.7332 -57.3494 -21.8471 559574.6371 10.9508 10.9639 PRESSURE: 4492800 124.042 145.862 98.9116 145.862 67.9963 52.5301 98.9112 52.53 25.0898 GPRESSURE: 4492800 103.142 173.504 137.831 116.826 141.85 78.5407 165.594 11.3819 67.6369 PRESSAVG: 4492800 -78.0556 9.04927 -37.865 9.04932 -2.52692 -25.441 -37.8651 -25.441 12.8944 GPRESSAVG: 4492800 -77.7295 9.56661 -36.3817 9.43844 -2.01667 -23.8128 -37.9743 -27.5938 12.3094 TIMING: 4492800 CPU: 13005.5, 0.00290055/step Wall: 13005.5, 0.00290055/step, 0.408656 hours remaining, 211.441406 MB of memory in use. ENERGY: 4492800 723.0812 2097.9140 1968.8603 113.5439 -206441.5349 18003.8869 0.0000 0.0000 34367.4441 -149166.8044 300.1394 -183534.2485 -149056.3632 299.5578 72.3762 104.2097 558095.6011 -22.5627 -22.4789 PRESSURE: 4493000 -170.992 113.691 -139.107 113.692 91.0895 56.3418 -139.108 56.3412 -163.064 GPRESSURE: 4493000 -133.996 85.4272 -68.104 75.5146 121.627 84.6043 -201.746 68.295 -133.312 PRESSAVG: 4493000 -125.329 9.50165 -4.18999 9.50163 31.2862 -34.2232 -4.18993 -34.2232 89.9886 GPRESSAVG: 4493000 -127.142 10.3583 -4.95217 9.41381 32.2926 -34.7665 -4.43836 -32.2836 90.9268 TIMING: 4493000 CPU: 13006, 0.00286876/step Wall: 13006, 0.00286876/step, 0.404017 hours remaining, 211.441406 MB of memory in use. ENERGY: 4493000 747.0066 2143.4111 1933.5106 114.2703 -206171.8417 17699.8676 0.0000 0.0000 34388.6554 -149145.1202 300.3247 -183533.7756 -149053.6036 299.2794 -80.9890 -48.5603 558404.2980 -1.3513 -1.3076 PRESSURE: 4493200 -134.248 -190.813 -148.559 -190.813 110.901 118.406 -148.56 118.406 -262.666 GPRESSURE: 4493200 -85.1081 -153.917 -124.427 -152.001 118.374 42.3471 -64.2089 72.0395 -226.54 PRESSAVG: 4493200 -106.461 0.363722 -38.4629 0.363713 67.4154 24.768 -38.463 24.768 55.725 GPRESSAVG: 4493200 -105.891 1.16441 -37.6413 0.380877 67.4579 24.9757 -37.0225 23.63 54.3606 TIMING: 4493200 CPU: 13006.6, 0.00287326/step Wall: 13006.6, 0.00287326/step, 0.404491 hours remaining, 211.441406 MB of memory in use. ENERGY: 4493200 744.3016 2072.0988 1957.4300 109.7737 -206214.4846 17750.9109 0.0000 0.0000 34591.9755 -148987.9940 302.1003 -183579.9695 -148881.2560 300.4075 -95.3376 -64.4245 557994.5506 5.5599 5.3091 PRESSURE: 4493400 -83.6939 -28.0297 -35.1309 -28.0285 16.2258 4.24388 -35.1288 4.244 0.881733 GPRESSURE: 4493400 -122.771 -103.841 -3.15383 40.0106 88.3041 42.5723 -21.2165 41.0019 71.0491 PRESSAVG: 4493400 -76.8101 -23.6438 13.7246 -23.6438 -5.8786 -19.6464 13.7247 -19.6463 46.8272 GPRESSAVG: 4493400 -76.3898 -26.7547 13.009 -22.4359 -6.91326 -19.5563 11.9753 -21.166 47.7636 TIMING: 4493400 CPU: 13007.2, 0.00288607/step Wall: 13007.2, 0.00288607/step, 0.406134 hours remaining, 211.441406 MB of memory in use. ENERGY: 4493400 740.9122 2120.3342 1933.9678 105.2003 -206199.2156 17871.0894 0.0000 0.0000 34407.4471 -149020.2644 300.4888 -183427.7115 -148926.1086 300.1790 -22.1955 12.1941 557888.8578 -11.9538 -11.8465 PRESSURE: 4493600 -53.8041 30.5864 -58.6869 30.5849 45.3823 -21.8191 -58.6876 -21.8195 102.873 GPRESSURE: 4493600 -33.9012 -33.7293 -141.108 66.7256 56.9375 -110.158 -83.5189 -42.5038 161.227 PRESSAVG: 4493600 -52.3351 -27.6781 -46.0476 -27.6782 -7.8946 -21.8422 -46.0476 -21.8421 12.9302 GPRESSAVG: 4493600 -53.4844 -26.018 -45.419 -29.6738 -7.61881 -23.2353 -46.0387 -19.036 13.8097 TIMING: 4493600 CPU: 13007.8, 0.00287649/step Wall: 13007.8, 0.00287649/step, 0.404626 hours remaining, 211.441406 MB of memory in use. ENERGY: 4493600 774.5661 2126.2932 1941.2988 130.4320 -205930.6467 17690.9491 0.0000 0.0000 33970.9353 -149296.1723 296.6766 -183267.1076 -149198.0585 299.2234 31.4838 61.4210 557265.5171 -15.7665 -15.7645 PRESSURE: 4493800 -30.1939 40.6566 79.2566 40.6566 71.4603 -38.6233 79.2556 -38.6246 146.229 GPRESSURE: 4493800 26.8222 -21.0422 139.485 127.78 117.018 -46.634 24.4939 -3.77105 153.477 PRESSAVG: 4493800 -14.4732 114.059 25.6632 114.059 83.3964 -49.3169 25.6632 -49.3169 -83.8508 GPRESSAVG: 4493800 -13.1664 114.561 26.2647 114.782 81.4784 -49.2862 26.7038 -49.8623 -82.9511 TIMING: 4493800 CPU: 13008.3, 0.00286374/step Wall: 13008.3, 0.00286374/step, 0.402673 hours remaining, 211.441406 MB of memory in use. ENERGY: 4493800 713.6711 2094.6025 1927.3889 102.4084 -206309.0564 17893.7825 0.0000 0.0000 34210.6778 -149366.5252 298.7704 -183577.2030 -149268.1702 299.1025 62.4984 99.1059 556525.5648 -4.9759 -4.8797 PRESSURE: 4494000 -205.582 -8.98518 25.3872 -8.98565 -253.608 -120.767 25.3869 -120.768 -166.456 GPRESSURE: 4494000 -205.268 -89.3841 -43.757 16.6865 -200.955 -62.4214 63.496 -190.803 -131.711 PRESSAVG: 4494000 0.53128 70.594 28.8925 70.594 2.91518 -81.855 28.8926 -81.855 2.82111 GPRESSAVG: 4494000 0.831592 69.8485 26.9064 71.4491 4.85335 -81.0182 28.6469 -81.3606 0.731847 TIMING: 4494000 CPU: 13008.9, 0.00285177/step Wall: 13008.9, 0.00285177/step, 0.400833 hours remaining, 211.441406 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: 4494000 779.7992 2051.7956 1932.3072 108.4496 -205741.3036 17502.2488 0.0000 0.0000 34102.6843 -149264.0188 297.8272 -183366.7031 -149168.5426 298.7084 -208.5485 -179.3113 557378.5738 2.0892 2.1389 PRESSURE: 4494200 109.029 96.7707 -38.6218 96.7713 -129.989 -174.924 -38.6218 -174.922 -219.473 GPRESSURE: 4494200 195.538 115.429 -47.9799 88.9785 -92.8936 -255.12 -70.2105 -132.308 -242.364 PRESSAVG: 4494200 -38.7679 34.7109 4.56137 34.7109 21.9588 -54.6271 4.56157 -54.6272 -9.73601 GPRESSAVG: 4494200 -38.4756 37.4376 6.26205 34.051 21.9526 -54.1621 1.3513 -52.9552 -9.54992 TIMING: 4494200 CPU: 13009.5, 0.00286735/step Wall: 13009.5, 0.00286735/step, 0.402863 hours remaining, 211.441406 MB of memory in use. ENERGY: 4494200 729.0421 2087.6320 1924.4561 111.3100 -206117.1636 17774.1123 0.0000 0.0000 34076.3863 -149414.2249 297.5976 -183490.6111 -149320.8254 299.0649 -80.1440 -46.5733 557542.1776 -8.8484 -8.6909 PRESSURE: 4494400 -79.6747 135.529 -7.39823 135.529 -113.776 99.5946 -7.3978 99.5951 103.549 GPRESSURE: 4494400 -102.948 146.481 -27.7217 196.282 -49.2654 67.3494 -51.0949 114.529 153.466 PRESSAVG: 4494400 32.74 2.92211 -22.0179 2.92206 35.0792 -21.3759 -22.0179 -21.376 -89.3355 GPRESSAVG: 4494400 32.4751 -0.197104 -22.1001 3.22489 34.1248 -23.3384 -21.0789 -23.993 -87.8321 TIMING: 4494400 CPU: 13010, 0.00286372/step Wall: 13010, 0.00286372/step, 0.402193 hours remaining, 211.441406 MB of memory in use. ENERGY: 4494400 719.0795 2074.4017 1942.5987 113.6653 -206060.1565 17726.4142 0.0000 0.0000 34108.4658 -149375.5313 297.8777 -183483.9971 -149271.6698 298.4731 -29.9671 0.4175 557958.0052 -7.1721 -7.0774 PRESSURE: 4494600 237.03 80.2531 -162.4 80.2521 -145.125 -80.9003 -162.401 -80.9017 72.8093 GPRESSURE: 4494600 241.935 -10.968 -186.066 170.365 -73.1302 -135.568 -106.384 -100.423 100.334 PRESSAVG: 4494600 19.9224 -34.1579 11.402 -34.1579 -40.3643 4.74772 11.4021 4.74767 34.5437 GPRESSAVG: 4494600 21.2102 -33.7501 10.0744 -34.9372 -40.4759 4.46395 12.4167 5.96057 33.5639 TIMING: 4494600 CPU: 13010.6, 0.00287501/step Wall: 13010.6, 0.00287501/step, 0.403619 hours remaining, 211.441406 MB of memory in use. ENERGY: 4494600 734.1768 2030.8333 1934.2838 117.3532 -206150.7459 17908.0886 0.0000 0.0000 34164.6527 -149261.3575 298.3684 -183426.0102 -149166.6599 298.7789 54.9046 89.7130 558819.2443 4.7006 4.7661 PRESSURE: 4494800 143.781 -31.6556 83.9051 -31.6539 -47.9344 107.868 83.9049 107.868 -114.999 GPRESSURE: 4494800 104.156 -108.424 53.5296 4.06174 4.61147 72.5498 73.6364 122.458 -28.3073 PRESSAVG: 4494800 26.1325 -21.3428 -3.34345 -21.3428 44.0111 -9.11404 -3.3434 -9.11406 -51.1092 GPRESSAVG: 4494800 24.7121 -23.5123 -2.80241 -19.7689 45.3537 -7.33675 -2.77452 -10.2362 -51.2513 TIMING: 4494800 CPU: 13011.2, 0.00289929/step Wall: 13011.2, 0.00289929/step, 0.406866 hours remaining, 211.441406 MB of memory in use. ENERGY: 4494800 743.3851 2047.5000 1947.1753 119.2572 -206254.9023 17831.7892 0.0000 0.0000 34271.2932 -149294.5023 299.2997 -183565.7955 -149197.6281 298.8588 -6.3839 26.8199 558557.9745 6.3448 6.2715 PRESSURE: 4495000 -62.5563 88.5884 162.622 88.5881 -466.139 -253.263 162.623 -253.263 -536.192 GPRESSURE: 4495000 8.40649 46.2911 216.54 52.8045 -434.169 -291.452 130.93 -200.19 -523.987 PRESSAVG: 4495000 -26.8412 -4.17547 -6.11144 -4.17553 -27.2164 -7.51611 -6.11141 -7.51621 63.688 GPRESSAVG: 4495000 -27.6182 -1.31577 -5.23243 -3.59575 -27.1473 -8.95961 -7.10756 -5.57072 64.4202 TIMING: 4495000 CPU: 13011.8, 0.00291553/step Wall: 13011.8, 0.00291553/step, 0.408984 hours remaining, 211.441406 MB of memory in use. ENERGY: 4495000 772.2697 2061.1142 1946.9521 119.1055 -205481.6850 17410.2847 0.0000 0.0000 33997.1963 -149174.7625 296.9060 -183171.9588 -149075.7941 299.4321 -354.9624 -316.5833 560003.0094 3.2101 3.2182 PRESSURE: 4495200 312.333 94.0976 -22.2964 94.0973 -40.4651 44.4646 -22.2968 44.4642 121.791 GPRESSURE: 4495200 337.79 52.6758 16.9513 149.211 -43.2799 28.8405 -40.3311 5.9027 187.943 PRESSAVG: 4495200 42.6754 11.3142 23.8708 11.3142 -0.456526 -1.04684 23.8708 -1.04683 -32.2269 GPRESSAVG: 4495200 43.0199 8.91031 22.8836 9.69732 -0.557204 0.166547 26.0868 -1.11208 -31.8456 TIMING: 4495200 CPU: 13012.4, 0.00290433/step Wall: 13012.4, 0.00290433/step, 0.407251 hours remaining, 211.441406 MB of memory in use. ENERGY: 4495200 730.7098 2068.0358 1935.6765 111.2946 -206179.9704 17895.3427 0.0000 0.0000 34255.5936 -149183.3174 299.1626 -183438.9110 -149081.6464 299.3857 131.2195 160.8177 557364.6928 3.3307 3.5390 PRESSURE: 4495400 80.4675 -6.0213 25.4 -6.02199 -190.397 -93.1718 25.3994 -93.1719 -124.896 GPRESSURE: 4495400 91.3272 -22.9596 34.0586 12.057 -157.929 7.42834 43.0315 -156.18 -85.1595 PRESSAVG: 4495400 -8.92196 31.6454 57.1737 31.6454 3.76693 1.85994 57.1738 1.85986 -3.20055 GPRESSAVG: 4495400 -8.12528 34.359 55.1099 32.095 3.33263 1.4112 56.1356 1.92741 -4.52769 TIMING: 4495400 CPU: 13012.9, 0.00288317/step Wall: 13012.9, 0.00288317/step, 0.404124 hours remaining, 211.441406 MB of memory in use. ENERGY: 4495400 743.9305 2069.3580 1962.3434 118.4197 -206038.0151 17540.5659 0.0000 0.0000 34370.9237 -149232.4739 300.1698 -183603.3976 -149133.1770 299.7556 -78.2751 -50.5873 558607.8650 -2.7852 -3.1068 PRESSURE: 4495600 -89.5369 -158.33 -1.73054 -158.329 41.4412 -199.194 -1.7312 -199.195 -63.6448 GPRESSURE: 4495600 -60.484 -134.751 -81.2659 -180.973 100.162 -98.1873 27.7195 -233.452 -56.2664 PRESSAVG: 4495600 62.8604 19.0535 -19.0755 19.0535 -45.2067 10.2013 -19.0754 10.2013 -49.7214 GPRESSAVG: 4495600 62.8598 20.0495 -17.0238 17.8809 -44.6765 9.32399 -20.2843 9.43539 -50.3213 TIMING: 4495600 CPU: 13013.5, 0.00287408/step Wall: 13013.5, 0.00287407/step, 0.40269 hours remaining, 211.441406 MB of memory in use. ENERGY: 4495600 708.0421 2076.5776 1966.3118 107.5534 -205999.6500 17773.5172 0.0000 0.0000 34090.5005 -149277.1474 297.7208 -183367.6479 -149176.9227 298.9968 -37.2468 -5.5296 558306.5864 -10.6892 -10.7127 PRESSURE: 4495800 -209.18 -50.5859 -135.109 -50.5864 -165.77 -58.5189 -135.11 -58.5195 -295.249 GPRESSURE: 4495800 -133.907 -9.28939 -84.1054 -101.523 -160.145 -16.5032 -199.084 -50.9203 -277.229 PRESSAVG: 4495800 -49.8328 -12.3436 -4.77114 -12.3435 28.7113 21.2666 -4.7711 21.2667 -25.9866 GPRESSAVG: 4495800 -50.4266 -13.5409 -5.044 -12.8182 27.3003 21.5748 -3.92131 22.9286 -24.2136 TIMING: 4495800 CPU: 13014.1, 0.00288429/step Wall: 13014.1, 0.00288429/step, 0.40396 hours remaining, 211.441406 MB of memory in use. ENERGY: 4495800 746.3533 2087.2887 1961.0683 125.2865 -206063.8824 17687.9796 0.0000 0.0000 34416.9947 -149038.9113 300.5722 -183455.9060 -148948.9564 299.0863 -223.3995 -190.4270 558808.9364 -15.7027 -15.7800 PRESSURE: 4496000 -17.4241 27.1246 -235.07 27.1245 137.107 -35.3745 -235.069 -35.3764 113.421 GPRESSURE: 4496000 25.6172 89.372 -157.36 -9.74577 145.603 -96.7871 -336.325 28.0408 165.881 PRESSAVG: 4496000 90.2657 10.8601 -47.2873 10.8602 -38.6218 -6.85042 -47.2872 -6.85045 9.18846 GPRESSAVG: 4496000 89.7589 10.9468 -47.278 9.71638 -37.9659 -4.71542 -47.077 -8.14931 8.62674 TIMING: 4496000 CPU: 13014.7, 0.0028857/step Wall: 13014.7, 0.0028857/step, 0.403998 hours remaining, 211.441406 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: 4496000 783.1494 2086.6016 1931.3495 105.8759 -206306.7786 18010.5479 0.0000 0.0000 34194.5063 -149194.7480 298.6291 -183389.2543 -149091.4471 299.6878 77.7012 112.3670 557803.6105 20.2775 20.1399 PRESSURE: 4496200 -215.766 -30.8758 95.2359 -30.8751 -323.626 247.813 95.236 247.811 -204.326 GPRESSURE: 4496200 -228.966 -52.7927 151.724 -56.7383 -276.547 165.626 161.044 342.677 -143.372 PRESSAVG: 4496200 -24.2446 -26.0012 -37.7847 -26.0012 -7.79881 37.7429 -37.7848 37.7427 3.3231 GPRESSAVG: 4496200 -23.6535 -24.5634 -37.0304 -24.7633 -7.92232 35.6045 -37.043 38.1469 2.66095 TIMING: 4496200 CPU: 13015.2, 0.0028883/step Wall: 13015.2, 0.0028883/step, 0.404201 hours remaining, 211.441406 MB of memory in use. ENERGY: 4496200 739.7098 2112.8665 1934.4928 111.8616 -205805.0150 17523.9303 0.0000 0.0000 34164.8975 -149217.2565 298.3705 -183382.1540 -149116.2874 299.4260 -247.9059 -216.2950 558714.5670 -9.5734 -9.6383 LDB: ============= START OF LOAD BALANCING ============== 13018.6 LDB: ============== END OF LOAD BALANCING =============== 13018.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13018.6 LDB: ============= START OF LOAD BALANCING ============== 13018.9 LDB: Largest compute 4773 load 0.025231 is 21.4% of average load 0.118088 LDB: Average compute 0.001728 is 1.5% of average load 0.118088 LDB: TIME 13018.9 LOAD: AVG 0.118088 MAX 0.183593 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.215 MB LDB: TIME 13018.9 LOAD: AVG 0.118088 MAX 0.183593 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.215 MB LDB: TIME 13018.9 LOAD: AVG 0.118088 MAX 0.183593 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.215 MB LDB: ============== END OF LOAD BALANCING =============== 13018.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13018.9 PRESSURE: 4496400 45.5703 7.11403 -16.03 7.11242 169.414 41.9154 -16.0285 41.9142 130.039 GPRESSURE: 4496400 96.1551 48.4047 -76.1643 -79.9821 187.032 10.2028 -63.8335 -47.9279 173.404 PRESSAVG: 4496400 10.2169 -2.34168 -1.59474 -2.34171 -17.0852 19.5297 -1.59466 19.5297 34.3011 GPRESSAVG: 4496400 9.97469 -3.76834 -1.40737 -1.22459 -16.0329 20.3541 -3.33353 17.227 33.1975 TIMING: 4496400 CPU: 13015.8, 0.00296649/step Wall: 13015.8, 0.00296649/step, 0.414979 hours remaining, 211.753906 MB of memory in use. ENERGY: 4496400 714.0571 2101.0197 1930.9074 113.1469 -206247.4742 18051.6546 0.0000 0.0000 34246.3713 -149090.3171 299.0821 -183336.6884 -148983.8850 299.5525 115.0077 152.1970 558234.2527 9.1442 9.0464 PRESSURE: 4496600 -22.6062 29.1347 -32.4172 29.1337 -201.564 53.5362 -32.417 53.5352 -14.4256 GPRESSURE: 4496600 68.0395 22.0433 -78.4724 39.1914 -160.62 14.933 68.829 133.956 -45.8654 PRESSAVG: 4496600 51.7566 -18.9243 50.7249 -18.9244 21.6229 9.45997 50.7249 9.45988 -37.8535 GPRESSAVG: 4496600 50.7177 -19.154 48.1696 -19.1283 21.067 9.92507 51.2199 10.1481 -36.048 TIMING: 4496600 CPU: 13016.4, 0.00289518/step Wall: 13016.4, 0.00289518/step, 0.404842 hours remaining, 211.957031 MB of memory in use. ENERGY: 4496600 738.7871 2059.3668 1944.2347 119.1149 -205955.9758 17674.1332 0.0000 0.0000 34189.5364 -149230.8027 298.5857 -183420.3391 -149133.5556 299.7646 -79.5319 -46.1486 558979.8944 11.8420 11.9122 PRESSURE: 4496800 -124.318 -37.6035 -19.4864 -37.6023 -317.544 37.0304 -19.4866 37.0312 -197.641 GPRESSURE: 4496800 -103.293 -0.33204 -47.0458 -23.6334 -291.429 66.3223 -95.5838 -43.9134 -151.507 PRESSAVG: 4496800 64.8023 -18.7051 9.57713 -18.7051 -66.6094 4.64649 9.57714 4.64634 -11.1126 GPRESSAVG: 4496800 65.1462 -20.2033 10.8969 -16.6951 -66.4304 1.2362 8.90481 7.05077 -11.6958 TIMING: 4496800 CPU: 13017, 0.00286905/step Wall: 13017, 0.00286905/step, 0.40103 hours remaining, 211.957031 MB of memory in use. ENERGY: 4496800 779.2635 2076.2893 1951.2841 113.6485 -205968.6547 17441.0446 0.0000 0.0000 34317.4739 -149289.6508 299.7030 -183607.1247 -149192.6290 298.8166 -213.1676 -182.0764 558769.9779 -4.3066 -4.3267 PRESSURE: 4497000 -187.596 11.6018 71.4229 11.6021 -85.0473 49.4625 71.4225 49.462 -78.7923 GPRESSURE: 4497000 -162.553 69.7985 63.3127 -9.02708 -62.8935 88.6784 80.313 40.692 -24.2565 PRESSAVG: 4497000 50.1272 -34.4577 80.5576 -34.4577 -27.5878 -8.76407 80.5574 -8.76402 -75.7822 GPRESSAVG: 4497000 50.6564 -33.273 82.9084 -35.779 -28.6917 -4.57734 79.6411 -10.8214 -75.2912 TIMING: 4497000 CPU: 13017.6, 0.00285295/step Wall: 13017.6, 0.00285295/step, 0.39862 hours remaining, 211.957031 MB of memory in use. ENERGY: 4497000 750.1471 2010.1100 1918.3286 107.1856 -205992.1572 17688.3495 0.0000 0.0000 34338.7998 -149179.2366 299.8893 -183518.0364 -149094.9335 299.1644 -117.1453 -83.2343 558164.6302 -17.7476 -17.7755 PRESSURE: 4497200 5.20057 -41.5858 28.4151 -41.5857 -0.710936 240.542 28.4162 240.543 247.665 GPRESSURE: 4497200 -9.08713 -74.4604 -117.775 -42.4861 76.8388 167.449 34.4351 231.298 274.592 PRESSAVG: 4497200 -43.8201 -6.75547 21.4064 -6.75529 -2.76073 15.43 21.4064 15.4302 42.8167 GPRESSAVG: 4497200 -45.5662 -9.24864 20.7395 -4.13391 -0.475137 14.3001 19.7625 16.9848 42.4156 TIMING: 4497200 CPU: 13018.1, 0.00289754/step Wall: 13018.1, 0.00289754/step, 0.40469 hours remaining, 211.957031 MB of memory in use. ENERGY: 4497200 738.3664 2059.4984 1957.8808 115.2771 -206621.3068 18098.5784 0.0000 0.0000 34317.4748 -149334.2310 299.7030 -183651.7058 -149235.4108 298.9081 84.0516 114.1145 556270.4300 -1.2547 -1.2086 PRESSURE: 4497400 148.618 -100.859 83.373 -100.859 111.606 -29.0812 83.3741 -29.0812 -49.4657 GPRESSURE: 4497400 233.855 -121.142 110.327 -152.851 107.57 27.1404 109.126 -45.8451 -45.4498 PRESSAVG: 4497400 -43.7298 -17.1848 32.4957 -17.1848 84.3122 7.99306 32.4957 7.993 -27.1336 GPRESSAVG: 4497400 -42.676 -15.5673 30.9038 -21.3534 83.3983 7.44014 36.176 7.24694 -27.2721 TIMING: 4497400 CPU: 13018.7, 0.00288798/step Wall: 13018.7, 0.00288798/step, 0.403194 hours remaining, 211.957031 MB of memory in use. ENERGY: 4497400 750.0028 2007.2546 1915.8780 115.2362 -206350.3441 17940.0184 0.0000 0.0000 34260.6841 -149361.2701 299.2071 -183621.9542 -149264.8781 298.3768 70.2529 98.6585 556305.8564 4.4829 4.4834 PRESSURE: 4497600 -68.2617 -96.798 -91.4178 -96.7981 40.4455 117.221 -91.4184 117.221 97.155 GPRESSURE: 4497600 -30.5454 -121.367 -49.5037 -31.0272 112.487 123.378 8.61554 211.526 75.0698 PRESSAVG: 4497600 28.5774 -26.8147 15.5967 -26.8146 17.4659 41.9399 15.5967 41.9398 -47.7124 GPRESSAVG: 4497600 29.3107 -25.64 15.5413 -25.2759 17.014 43.9608 15.2037 41.8375 -48.2148 TIMING: 4497600 CPU: 13019.3, 0.00289181/step Wall: 13019.3, 0.00289181/step, 0.403568 hours remaining, 211.957031 MB of memory in use. ENERGY: 4497600 689.7368 2067.9434 1922.1353 110.7927 -206203.9256 17854.4417 0.0000 0.0000 34125.6295 -149433.2463 298.0276 -183558.8758 -149343.2425 298.3776 23.1129 52.3371 557232.7505 -0.5564 -0.6300 PRESSURE: 4497800 424.282 -108.093 142.33 -108.094 128.454 153.241 142.329 153.241 359.001 GPRESSURE: 4497800 448.563 -46.9139 134.997 -132.716 144.754 106.737 97.3579 178.018 407.27 PRESSAVG: 4497800 -53.2504 -26.1084 55.4038 -26.1085 46.6219 31.723 55.4037 31.723 -67.289 GPRESSAVG: 4497800 -53.1334 -27.149 55.7797 -25.8847 46.7628 30.7895 56.3527 31.7877 -67.7012 TIMING: 4497800 CPU: 13019.9, 0.00288531/step Wall: 13019.9, 0.00288531/step, 0.402501 hours remaining, 211.957031 MB of memory in use. ENERGY: 4497800 704.4831 1993.0842 1951.7877 114.6687 -206331.2256 18197.2221 0.0000 0.0000 33978.2207 -149391.7591 296.7403 -183369.9798 -149294.2274 298.4021 303.9123 333.5289 557670.5607 -24.6392 -24.6906 PRESSURE: 4498000 -207.838 61.7448 4.53913 61.7452 -191.876 36.0266 4.54004 36.0275 -154.178 GPRESSURE: 4498000 -203.187 -52.4059 -69.0877 92.1862 -177.108 41.8131 50.0261 -22.0638 -80.143 PRESSAVG: 4498000 9.63221 -56.4462 36.1295 -56.4461 -1.53074 34.1094 36.1294 34.1092 -14.4527 GPRESSAVG: 4498000 8.51882 -54.6693 33.6639 -58.7504 -0.969535 32.2969 37.725 36.1683 -13.9238 TIMING: 4498000 CPU: 13020.5, 0.00289492/step Wall: 13020.5, 0.00289492/step, 0.403681 hours remaining, 211.957031 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: 4498000 720.4462 2072.7476 1959.7604 108.2409 -205966.1188 17469.6436 0.0000 0.0000 34381.5080 -149253.7722 300.2623 -183635.2802 -149159.3051 298.5688 -184.6306 -153.4793 555983.0693 -2.1171 -2.1249 PRESSURE: 4498200 16.0802 18.8455 -78.7125 18.846 127.393 21.5706 -78.714 21.5717 -184.624 GPRESSURE: 4498200 56.5009 17.3385 -51.6705 98.42 95.5216 -38.2798 -77.5303 87.148 -102.169 PRESSAVG: 4498200 53.1354 9.52905 -16.1531 9.52915 -32.0391 11.8977 -16.1532 11.8976 3.97516 GPRESSAVG: 4498200 53.7943 8.4457 -13.4925 12.1068 -33.5908 12.3315 -19.4919 10.7466 4.90543 TIMING: 4498200 CPU: 13021, 0.00289288/step Wall: 13021, 0.00289288/step, 0.403236 hours remaining, 211.957031 MB of memory in use. ENERGY: 4498200 719.8696 1987.5995 1963.2961 115.6279 -205938.9298 17631.8504 0.0000 0.0000 34156.5951 -149364.0913 298.2980 -183520.6863 -149264.0455 300.0494 -13.7168 16.6177 555798.7744 8.3572 8.3696 PRESSURE: 4498400 113.043 42.3751 -214.498 42.3748 274.19 77.2031 -214.5 77.2024 73.2053 GPRESSURE: 4498400 168.274 63.8212 -196.91 26.927 327.197 66.6529 -240.47 36.745 69.4379 PRESSAVG: 4498400 -2.52131 71.1258 13.3019 71.1258 1.90864 -2.58061 13.3019 -2.58064 15.2102 GPRESSAVG: 4498400 -3.65827 70.5619 12.724 70.5043 3.12145 -0.482272 12.6982 -3.41686 15.0323 TIMING: 4498400 CPU: 13021.6, 0.00289004/step Wall: 13021.6, 0.00289004/step, 0.402679 hours remaining, 211.957031 MB of memory in use. ENERGY: 4498400 739.6541 2084.5056 1919.3840 110.6931 -206522.5838 18121.7118 0.0000 0.0000 34282.9094 -149263.7258 299.4012 -183546.6352 -149168.1254 299.5376 153.4793 188.3031 557850.4410 4.8658 4.8318 PRESSURE: 4498600 15.2972 -6.35766 -77.4394 -6.35703 123.546 -42.089 -77.4377 -42.09 73.8215 GPRESSURE: 4498600 1.66108 -2.1781 -49.2938 -80.3707 160.181 -80.3498 -57.6059 13.3298 154.69 PRESSAVG: 4498600 -1.93038 21.9028 -3.00375 21.9029 -3.98394 -0.772429 -3.00372 -0.772424 39.6799 GPRESSAVG: 4498600 -1.22524 23.892 -4.26856 22.4257 -4.35245 -0.856661 -0.933249 -0.428221 38.9824 TIMING: 4498600 CPU: 13022.2, 0.0028734/step Wall: 13022.2, 0.0028734/step, 0.400201 hours remaining, 211.957031 MB of memory in use. ENERGY: 4498600 704.7169 2075.0265 1939.9897 107.2727 -206108.8426 17862.4473 0.0000 0.0000 34095.3054 -149324.0842 297.7628 -183419.3895 -149228.4606 299.6384 70.8883 105.5105 556717.2985 11.2552 11.1349 PRESSURE: 4498800 108.123 204.533 -34.7841 204.533 341.9 5.23052 -34.7831 5.23042 1.09054 GPRESSURE: 4498800 152.066 118.292 -91.8652 214.366 361.601 -20.4955 54.6356 51.7607 18.3178 PRESSAVG: 4498800 67.141 4.49873 -53.2045 4.4988 -26.424 4.93043 -53.2046 4.93043 -52.6396 GPRESSAVG: 4498800 67.2699 1.6984 -53.7474 5.53959 -26.6056 3.61504 -53.3521 5.31776 -52.2116 TIMING: 4498800 CPU: 13022.8, 0.00288526/step Wall: 13022.8, 0.00288526/step, 0.401692 hours remaining, 211.957031 MB of memory in use. ENERGY: 4498800 729.8203 2051.3344 1894.3718 98.1463 -206486.5930 17999.6326 0.0000 0.0000 34524.9494 -149188.3382 301.5150 -183713.2876 -149091.1605 299.8179 150.3713 177.3283 557642.5505 -3.9742 -3.8491 PRESSURE: 4499000 -313.573 96.1842 31.6248 96.1844 118.106 -114.864 31.6237 -114.863 -167.85 GPRESSURE: 4499000 -249.096 17.2745 31.6017 53.8719 131.251 -82.3215 30.4096 -92.5233 -153.52 PRESSAVG: 4499000 1.15407 -47.9003 -27.3277 -47.9003 31.9979 92.8728 -27.3276 92.8727 -43.1248 GPRESSAVG: 4499000 1.67941 -47.1219 -25.1432 -49.729 31.6758 93.9648 -28.6864 93.5327 -43.5425 TIMING: 4499000 CPU: 13023.3, 0.00289157/step Wall: 13023.3, 0.00289157/step, 0.402411 hours remaining, 211.957031 MB of memory in use. ENERGY: 4499000 752.4332 2014.7389 1923.4947 115.7978 -206123.6319 17637.1700 0.0000 0.0000 34229.2471 -149450.7504 298.9325 -183679.9975 -149354.1746 299.7486 -121.1060 -90.4549 556838.8111 -3.3243 -3.3958 PRESSURE: 4499200 -250.991 -130.982 -50.3601 -130.982 173.254 -184.185 -50.359 -184.185 42.2866 GPRESSURE: 4499200 -259.852 -185.167 -24.528 -71.1017 252.542 -91.8942 -45.6141 -225.705 78.132 PRESSAVG: 4499200 -8.50254 -50.9235 -26.6983 -50.9235 86.923 19.1928 -26.6983 19.1927 -61.4107 GPRESSAVG: 4499200 -9.76403 -50.4896 -28.9389 -49.3921 87.7506 16.7574 -26.5768 17.7843 -60.9989 TIMING: 4499200 CPU: 13023.9, 0.00287674/step Wall: 13023.9, 0.00287674/step, 0.400186 hours remaining, 211.957031 MB of memory in use. ENERGY: 4499200 726.5972 2068.6327 1931.1799 108.8958 -206160.5317 17755.6481 0.0000 0.0000 34234.8254 -149334.7526 298.9812 -183569.5780 -149229.9550 299.0048 -11.8169 23.6071 555898.9533 5.6699 5.6626 PRESSURE: 4499400 -170.407 92.4257 0.824572 92.4261 -223.538 53.4446 0.824666 53.4454 -112.928 GPRESSURE: 4499400 -140.704 1.36553 -100.336 186.518 -164.553 -67.8123 49.464 72.4501 -105.734 PRESSAVG: 4499400 -42.065 -15.1429 -0.713606 -15.143 46.7216 1.84943 -0.713692 1.84951 -24.597 GPRESSAVG: 4499400 -41.473 -14.3359 0.165323 -17.289 46.386 0.951227 -1.27015 3.94517 -25.2401 TIMING: 4499400 CPU: 13024.5, 0.00289447/step Wall: 13024.5, 0.00289447/step, 0.402492 hours remaining, 211.957031 MB of memory in use. ENERGY: 4499400 779.7513 2055.0907 1922.1000 114.5021 -206081.5001 17381.3568 0.0000 0.0000 34572.0170 -149256.6821 301.9260 -183828.6991 -149162.5211 299.4955 -168.9577 -136.9972 555255.4983 -6.6468 -6.7757 PRESSURE: 4499600 -166.977 -52.6239 -75.6464 -52.623 -87.2594 -118.248 -75.6458 -118.248 -72.2391 GPRESSURE: 4499600 -169.475 -33.6081 -111.97 -62.0554 21.8805 -105.799 -25.642 -109.211 -81.1816 PRESSAVG: 4499600 -31.8007 -9.68895 7.30094 -9.68901 -28.558 -50.8862 7.30103 -50.8862 72.4372 GPRESSAVG: 4499600 -32.8234 -9.57544 7.34204 -8.07956 -28.1095 -49.69 8.07904 -52.1938 72.7257 TIMING: 4499600 CPU: 13025.1, 0.00287921/step Wall: 13025.1, 0.00287921/step, 0.400211 hours remaining, 211.957031 MB of memory in use. ENERGY: 4499600 726.3878 2058.5792 1944.8422 108.1259 -205637.1514 17450.8434 0.0000 0.0000 34086.9147 -149261.4584 297.6895 -183348.3730 -149163.6166 298.6789 -108.8252 -76.2586 556086.4876 4.0262 3.9309 PRESSURE: 4499800 -68.1368 87.5326 3.5435 87.5338 -168.929 -29.3408 3.54287 -29.3388 -180.601 GPRESSURE: 4499800 0.38565 93.8753 5.7474 35.9194 -119.628 -64.5268 69.3673 -95.1357 -201.693 PRESSAVG: 4499800 -79.3634 25.506 12.0226 25.5059 28.2072 -37.3888 12.0226 -37.3887 6.75442 GPRESSAVG: 4499800 -78.8716 25.5561 12.8776 22.6332 27.8022 -35.4673 11.8357 -37.0286 5.67597 TIMING: 4499800 CPU: 13025.6, 0.00287443/step Wall: 13025.6, 0.00287443/step, 0.399386 hours remaining, 211.957031 MB of memory in use. ENERGY: 4499800 775.4049 2074.6091 1912.9025 113.2610 -205742.4490 17457.8214 0.0000 0.0000 34411.3637 -148997.0862 300.5230 -183408.4499 -148891.4206 299.2726 -139.2222 -106.9785 557432.0005 -14.8006 -15.1312 PRESSURE: 4500000 -168.379 -32.9797 120.878 -32.9787 138.408 -79.3091 120.877 -79.3108 -72.9013 GPRESSURE: 4500000 -84.8901 -17.2004 139.033 -31.1731 117.27 -48.0013 51.2345 -79.0424 -38.5309 PRESSAVG: 4500000 -63.0382 48.8195 27.6818 48.8195 74.3778 -51.5745 27.6818 -51.5745 -32.2791 GPRESSAVG: 4500000 -64.0845 47.8147 27.5456 49.8591 74.5903 -52.6514 29.6478 -52.6207 -31.2729 TIMING: 4500000 CPU: 13026.2, 0.00289677/step Wall: 13026.2, 0.00289677/step, 0.402329 hours remaining, 211.957031 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: 4500000 767.3878 2064.3389 1950.0227 122.8107 -205695.1740 17479.1242 0.0000 0.0000 34352.5363 -148958.9534 300.0092 -183311.4897 -148861.6961 299.8207 -34.2907 -2.0505 556397.7170 -6.9799 -6.9224 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 WRITING VELOCITIES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4500000 WRITING COORDINATES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4500200 -129.823 -6.26279 7.12316 -6.26325 47.1671 -34.5658 7.12383 -34.5674 46.1327 GPRESSURE: 4500200 -64.5436 -11.9885 -29.1981 40.691 68.452 -53.286 66.7367 -112.438 67.4745 PRESSAVG: 4500200 -64.4677 -2.68962 41.9242 -2.68969 22.7912 -86.0536 41.9242 -86.0534 54.2043 GPRESSAVG: 4500200 -64.0211 -2.88783 42.3498 -1.98909 23.6005 -82.9087 39.7118 -87.8022 52.9512 TIMING: 4500200 CPU: 13027, 0.00405941/step Wall: 13027, 0.00405941/step, 0.563581 hours remaining, 211.957031 MB of memory in use. ENERGY: 4500200 772.1311 2057.4226 1948.7881 122.9057 -205848.8832 17571.3433 0.0000 0.0000 34215.5544 -149160.7380 298.8129 -183376.2924 -149065.2490 299.1819 -12.1744 23.7943 557085.1321 4.1759 4.1769 LDB: ============= START OF LOAD BALANCING ============== 13030.4 LDB: ============== END OF LOAD BALANCING =============== 13030.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13030.4 LDB: ============= START OF LOAD BALANCING ============== 13030.7 LDB: Largest compute 4773 load 0.025408 is 21.5% of average load 0.118023 LDB: Average compute 0.001727 is 1.5% of average load 0.118023 LDB: TIME 13030.7 LOAD: AVG 0.118023 MAX 0.182041 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.668 MB LDB: TIME 13030.7 LOAD: AVG 0.118023 MAX 0.182041 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.668 MB LDB: TIME 13030.7 LOAD: AVG 0.118023 MAX 0.182041 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13030.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13030.7 PRESSURE: 4500400 368.862 -12.6959 46.3442 -12.6957 -18.9875 -154.413 46.3444 -154.412 262.722 GPRESSURE: 4500400 349.007 -50.6356 116.865 32.8574 46.9334 -128.552 6.10126 -145.54 326.69 PRESSAVG: 4500400 -10.4556 -3.09875 17.0433 -3.09873 32.7038 -35.7543 17.0434 -35.7543 -51.3658 GPRESSAVG: 4500400 -10.8301 -3.148 18.4906 -3.15541 31.5587 -39.1807 18.1939 -34.06 -49.7587 TIMING: 4500400 CPU: 13027.6, 0.00296235/step Wall: 13027.6, 0.00296235/step, 0.411108 hours remaining, 212.917969 MB of memory in use. ENERGY: 4500400 735.4161 2083.0759 1920.7757 112.8667 -206013.3520 17863.6012 0.0000 0.0000 34150.0745 -149147.5418 298.2411 -183297.6163 -149058.5589 299.1166 204.1988 240.8770 556796.1028 -9.7059 -9.6767 PRESSURE: 4500600 -134.522 -55.8679 -185.059 -55.8685 -88.0812 -30.9161 -185.06 -30.9154 -229.65 GPRESSURE: 4500600 -80.9844 -84.2944 -186.851 27.7874 -44.111 -8.04653 -103.346 -28.1588 -214.557 PRESSAVG: 4500600 -16.0053 53.6035 -5.31946 53.6035 30.389 -25.3765 -5.31937 -25.3765 0.787752 GPRESSAVG: 4500600 -14.3424 53.0861 -8.05426 54.0523 29.3583 -22.0442 -5.44251 -27.0936 -0.0412369 TIMING: 4500600 CPU: 13028.2, 0.00290395/step Wall: 13028.2, 0.00290395/step, 0.402843 hours remaining, 213.121094 MB of memory in use. ENERGY: 4500600 732.3646 2075.2694 1954.7564 111.7211 -206075.6186 17690.9190 0.0000 0.0000 34390.4415 -149120.1467 300.3403 -183510.5882 -149020.5976 300.0005 -150.7511 -113.2176 558279.1456 5.0572 4.9915 PRESSURE: 4500800 -28.245 163.444 -38.8526 163.445 -20.1023 34.7594 -38.8524 34.7587 -77.9624 GPRESSURE: 4500800 25.7253 123.909 -73.7855 136.873 35.4725 42.4183 -26.236 49.5314 -81.5587 PRESSAVG: 4500800 -81.1803 51.2939 -43.0542 51.2939 10.3901 9.90359 -43.0542 9.90353 -5.96485 GPRESSAVG: 4500800 -82.3873 50.1074 -43.967 50.5074 10.5771 9.2787 -42.1202 11.3484 -4.81993 TIMING: 4500800 CPU: 13028.8, 0.00289709/step Wall: 13028.8, 0.00289709/step, 0.401729 hours remaining, 213.121094 MB of memory in use. ENERGY: 4500800 744.7148 2120.2043 1947.6899 111.6477 -205806.4713 17712.5911 0.0000 0.0000 34173.6296 -148995.9940 298.4468 -183169.6236 -148900.8168 299.8841 -42.1032 -6.7870 557234.2952 -25.5850 -25.5434 PRESSURE: 4501000 -189.353 -157.474 145.322 -157.474 -12.1213 8.681 145.322 8.67977 -424.622 GPRESSURE: 4501000 -133.886 -120.612 44.9804 -125.692 -25.4918 -56.9746 254.877 21.0018 -366.603 PRESSAVG: 4501000 32.5989 -29.1026 -26.1087 -29.1025 28.3902 -18.1186 -26.1087 -18.1185 -64.9352 GPRESSAVG: 4501000 33.3061 -27.6968 -25.0353 -31.1725 28.4925 -20.2557 -28.3107 -18.4364 -65.2908 TIMING: 4501000 CPU: 13029.4, 0.00286921/step Wall: 13029.4, 0.00286921/step, 0.397704 hours remaining, 213.121094 MB of memory in use. ENERGY: 4501000 762.1832 2048.3509 1970.4343 108.4066 -205824.4561 17512.7425 0.0000 0.0000 34090.6469 -149331.6916 297.7221 -183422.3384 -149230.2955 299.4773 -208.6986 -175.3269 557132.4594 -1.3154 -1.1641 PRESSURE: 4501200 29.8709 -104.447 -85.4806 -104.446 -43.8009 -95.0243 -85.4803 -95.0243 -129.846 GPRESSURE: 4501200 62.9166 -66.6203 -73.102 -93.0037 -28.183 -78.0478 -87.6732 -63.6068 -80.6765 PRESSAVG: 4501200 -39.8147 6.02332 48.3215 6.02334 92.9172 22.8939 48.3215 22.8937 -47.8702 GPRESSAVG: 4501200 -40.44 9.03969 47.5243 8.56825 93.941 23.7865 47.37 22.2998 -48.1207 TIMING: 4501200 CPU: 13029.9, 0.00288749/step Wall: 13029.9, 0.00288749/step, 0.400078 hours remaining, 213.121094 MB of memory in use. ENERGY: 4501200 762.6037 2168.9509 1952.7766 106.9893 -206263.2803 17831.8148 0.0000 0.0000 34192.7590 -149247.3860 298.6139 -183440.1450 -149146.4895 298.9044 -47.9254 -15.3143 557090.8959 1.7441 1.7934 PRESSURE: 4501400 -187.176 -208.459 -50.7322 -208.46 -85.4736 103.55 -50.7326 103.55 -310.166 GPRESSURE: 4501400 -222.709 -255.67 -79.0394 -162.075 -70.7098 137.059 -13.8256 83.0284 -204.076 PRESSAVG: 4501400 -65.4813 -25.0794 9.30222 -25.0794 14.9765 10.7866 9.30219 10.7867 32.9328 GPRESSAVG: 4501400 -65.1181 -26.1612 10.5067 -26.9994 13.985 9.73183 9.456 11.6242 33.3066 TIMING: 4501400 CPU: 13030.5, 0.00286996/step Wall: 13030.5, 0.00286996/step, 0.397489 hours remaining, 213.121094 MB of memory in use. ENERGY: 4501400 735.9858 2093.2290 1959.2601 111.0532 -205868.0386 17485.3062 0.0000 0.0000 34264.1322 -149219.0721 299.2372 -183483.2043 -149112.4334 298.9971 -194.2719 -165.8315 559072.8846 -5.8573 -5.9422 PRESSURE: 4501600 -200.772 -11.2502 173.598 -11.2489 97.0877 -104.341 173.599 -104.341 -155.551 GPRESSURE: 4501600 -170.579 -64.2503 202.953 41.8874 121.076 -135.526 136.083 -164.236 -106.882 PRESSAVG: 4501600 -92.795 -3.558 -21.4821 -3.55799 42.8298 -42.1205 -21.482 -42.1206 107.649 GPRESSAVG: 4501600 -91.9918 -5.22589 -20.7903 -2.67839 42.5083 -42.4956 -19.6283 -42.4857 107.009 TIMING: 4501600 CPU: 13031.1, 0.00288318/step Wall: 13031.1, 0.00288318/step, 0.399161 hours remaining, 213.121094 MB of memory in use. ENERGY: 4501600 737.2391 2090.2069 1957.2928 108.0241 -206080.8412 17640.7314 0.0000 0.0000 34119.1225 -149428.2245 297.9708 -183547.3470 -149336.1039 298.5680 -86.4119 -52.1286 558023.8543 19.2279 19.1752 PRESSURE: 4501800 55.4689 -21.1096 -17.5403 -21.1087 -230.471 -95.9201 -17.5396 -95.9203 -160.959 GPRESSURE: 4501800 123.659 50.2691 -60.2747 29.6996 -250.881 -62.7466 -32.3497 -21.9579 -113.003 PRESSAVG: 4501800 -67.9032 59.0668 -51.2772 59.0668 0.228732 -24.7186 -51.277 -24.7187 30.169 GPRESSAVG: 4501800 -69.2165 58.5767 -51.6908 59.7351 1.60589 -25.8755 -51.8422 -22.119 29.6557 TIMING: 4501800 CPU: 13031.7, 0.00288364/step Wall: 13031.7, 0.00288364/step, 0.399064 hours remaining, 213.121094 MB of memory in use. ENERGY: 4501800 767.2051 2069.2624 1920.6975 108.7516 -206104.6151 17613.8946 0.0000 0.0000 34298.2757 -149326.5282 299.5354 -183624.8039 -149226.6695 298.7563 -111.9872 -80.0752 557681.1767 -12.5018 -12.6517 PRESSURE: 4502000 26.9976 136.814 -78.822 136.813 -175.515 -42.3154 -78.822 -42.3176 -196.632 GPRESSURE: 4502000 35.2177 103.131 -71.5709 140.265 -159.788 23.8615 -169.442 -22.1741 -130.457 PRESSAVG: 4502000 -17.6798 35.7287 -80.3718 35.7287 -16.2763 6.7928 -80.3718 6.79284 19.865 GPRESSAVG: 4502000 -16.5441 36.7353 -80.6296 34.9664 -17.9188 8.47633 -80.1632 3.85203 20.8688 TIMING: 4502000 CPU: 13032.2, 0.00288717/step Wall: 13032.2, 0.00288717/step, 0.399392 hours remaining, 213.121094 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: 4502000 777.4630 2153.4031 1944.7338 99.5437 -206232.0792 17697.7750 0.0000 0.0000 34187.1838 -149371.9768 298.5652 -183559.1605 -149277.4077 299.6518 -115.0498 -85.0089 555986.8002 -4.6970 -4.5314 PRESSURE: 4502200 278.473 140.44 54.7141 140.44 172.707 19.7027 54.7131 19.7031 -182.794 GPRESSURE: 4502200 224.109 174.761 55.034 90.3942 246.31 48.7086 64.1612 3.46893 -92.8247 PRESSAVG: 4502200 66.7536 10.3494 -7.88231 10.3495 10.5977 -15.217 -7.88226 -15.2169 -44.924 GPRESSAVG: 4502200 67.187 10.8333 -6.31385 10.5565 11.3172 -14.2948 -7.95102 -14.7232 -46.3258 TIMING: 4502200 CPU: 13032.8, 0.00289268/step Wall: 13032.8, 0.00289268/step, 0.399993 hours remaining, 213.121094 MB of memory in use. ENERGY: 4502200 769.8367 2174.1889 1929.3702 109.2215 -206849.7498 18088.3838 0.0000 0.0000 34464.1999 -149314.5488 300.9844 -183778.7488 -149212.5514 299.3366 89.4620 125.8648 555501.6462 10.8091 10.7261 PRESSURE: 4502400 43.8015 210.778 180.817 210.778 -76.3685 -5.65642 180.818 -5.65671 -110.249 GPRESSURE: 4502400 72.7636 190.595 202.262 174.617 -112.582 -2.76871 120.67 10.6411 -9.34754 PRESSAVG: 4502400 36.6531 21.5881 6.87104 21.5882 15.4211 18.6043 6.87103 18.6042 -47.7745 GPRESSAVG: 4502400 36.8327 21.9067 5.27276 19.277 14.7383 18.2986 9.22359 16.6897 -47.8122 TIMING: 4502400 CPU: 13033.4, 0.00288488/step Wall: 13033.4, 0.00288488/step, 0.398755 hours remaining, 213.121094 MB of memory in use. ENERGY: 4502400 765.6128 2117.2565 1947.0796 115.7569 -206254.2711 17750.4882 0.0000 0.0000 34308.2873 -149249.7897 299.6228 -183558.0770 -149159.4309 299.4567 -47.6054 -16.3885 556464.5016 1.4332 1.2529 PRESSURE: 4502600 -126.631 40.5852 38.1366 40.5861 38.2384 15.5552 38.1374 15.5547 -153.071 GPRESSURE: 4502600 -141.904 -4.45113 25.7658 69.4676 95.7949 -1.11709 -64.1733 -32.1258 -92.1697 PRESSAVG: 4502600 18.242 14.243 4.68301 14.2429 -7.09124 21.2645 4.68303 21.2645 -38.999 GPRESSAVG: 4502600 17.1888 10.6802 4.47827 17.306 -6.21191 21.5959 3.85359 22.8996 -38.1329 TIMING: 4502600 CPU: 13034, 0.00288719/step Wall: 13034, 0.00288719/step, 0.398914 hours remaining, 213.121094 MB of memory in use. ENERGY: 4502600 751.4356 2089.6648 1964.0038 114.6934 -205594.8984 17447.4211 0.0000 0.0000 33968.0881 -149259.5917 296.6518 -183227.6797 -149158.8049 299.4801 -80.4877 -46.0929 555789.8310 -9.2828 -9.0520 PRESSURE: 4502800 62.7354 -105.218 -17.0374 -105.216 -128.658 42.0761 -17.0369 42.0761 -60.5774 GPRESSURE: 4502800 117.027 -68.95 -10.0091 -61.6036 -83.1893 1.92879 -28.8717 37.765 -56.71 PRESSAVG: 4502800 -29.3355 11.2257 -47.5965 11.2257 61.7172 6.70245 -47.5964 6.70234 -24.4245 GPRESSAVG: 4502800 -28.5026 15.9928 -48.114 9.22035 60.9361 7.1562 -46.6309 7.14845 -24.9495 TIMING: 4502800 CPU: 13034.6, 0.0028911/step Wall: 13034.6, 0.0028911/step, 0.399293 hours remaining, 213.187500 MB of memory in use. ENERGY: 4502800 805.2163 2121.5477 1919.4702 117.6059 -206291.6875 17751.9782 0.0000 0.0000 34329.4060 -149246.4632 299.8072 -183575.8692 -149160.1262 298.7334 -42.1668 -7.6241 554490.1686 2.6524 2.4947 PRESSURE: 4503000 279.235 62.7384 124.861 62.7382 250.524 -109.864 124.862 -109.865 215.434 GPRESSURE: 4503000 325.29 112.434 137.896 -5.53044 255.772 -86.8508 59.7586 -101.847 265.109 PRESSAVG: 4503000 62.3226 12.0984 -35.0304 12.0985 -27.8163 -22.2404 -35.0304 -22.2405 9.81543 GPRESSAVG: 4503000 61.9271 10.0244 -35.7961 13.1954 -26.3156 -22.4901 -36.2673 -24.2843 9.11196 TIMING: 4503000 CPU: 13035.1, 0.0028881/step Wall: 13035.1, 0.0028881/step, 0.398718 hours remaining, 213.187500 MB of memory in use. ENERGY: 4503000 769.5456 2129.4476 1939.3501 117.1083 -206563.5769 18009.4465 0.0000 0.0000 34240.0537 -149358.6251 299.0269 -183598.6788 -149270.2589 300.0014 248.3976 282.0572 554097.4006 14.7739 14.9078 PRESSURE: 4503200 33.7397 -71.2324 61.4831 -71.2327 103.709 132.132 61.4843 132.134 227.343 GPRESSURE: 4503200 11.6455 -31.0814 103.177 -87.992 169.756 202.615 81.0173 161.736 281.878 PRESSAVG: 4503200 49.0523 -54.7877 19.4794 -54.7875 12.2451 -14.8085 19.4794 -14.8084 -72.4802 GPRESSAVG: 4503200 48.0674 -55.3156 20.7781 -54.323 10.8766 -14.3394 20.478 -13.6202 -70.9736 TIMING: 4503200 CPU: 13035.7, 0.00286833/step Wall: 13035.7, 0.00286833/step, 0.39583 hours remaining, 213.187500 MB of memory in use. ENERGY: 4503200 763.7290 2090.1660 1958.4485 109.5176 -206656.8062 18034.2067 0.0000 0.0000 34339.7798 -149360.9585 299.8978 -183700.7383 -149262.4685 298.9386 121.5971 154.4265 555795.1955 -3.7276 -4.0099 PRESSURE: 4503400 -147.609 -89.0928 -64.5008 -89.0939 -241.873 -39.618 -64.5012 -39.6164 -221.873 GPRESSURE: 4503400 -67.5217 -32.6415 -17.6443 -178.186 -234.02 -88.2417 -46.3287 -30.4165 -226.461 PRESSAVG: 4503400 3.50074 -38.0302 -59.0178 -38.0303 33.8405 1.77466 -59.0178 1.77462 -39.1682 GPRESSAVG: 4503400 4.03626 -36.808 -58.3976 -39.4437 34.0589 0.200728 -58.5869 1.4997 -39.743 TIMING: 4503400 CPU: 13036.3, 0.00285593/step Wall: 13036.3, 0.00285593/step, 0.39396 hours remaining, 213.187500 MB of memory in use. ENERGY: 4503400 753.6065 2172.7291 1942.5277 110.8107 -205950.3822 17638.0226 0.0000 0.0000 33808.2123 -149524.4732 295.2555 -183332.6855 -149430.2706 298.8390 -203.7851 -176.0010 558725.1174 -0.6090 -0.5493 PRESSURE: 4503600 -135.262 36.9882 -233.037 36.9877 42.6129 55.0572 -233.036 55.0582 -71.9921 GPRESSURE: 4503600 -67.9297 124.118 -170.512 48.7435 83.8815 20.7605 -310.127 -27.8389 -81.0478 PRESSAVG: 4503600 84.4118 -5.89559 -37.7368 -5.89559 -23.2484 39.6001 -37.7368 39.5999 -64.3698 GPRESSAVG: 4503600 85.6541 -6.89207 -36.0239 -5.7556 -22.8781 39.2342 -40.9644 40.4091 -65.705 TIMING: 4503600 CPU: 13036.9, 0.00287527/step Wall: 13036.9, 0.00287527/step, 0.396468 hours remaining, 213.187500 MB of memory in use. ENERGY: 4503600 756.4494 2139.2325 1932.1354 110.6346 -206534.1863 17883.3326 0.0000 0.0000 34123.6080 -149588.7937 298.0100 -183712.4017 -149497.0890 298.1567 -54.8804 -21.6987 557592.1199 -1.0688 -0.9763 PRESSURE: 4503800 -82.4974 -110.782 23.1083 -110.782 -212.376 0.0953845 23.1086 0.0959523 -153.286 GPRESSURE: 4503800 -39.9366 -78.9346 -9.45723 -111.394 -199.366 -32.6336 29.1552 14.1366 -110.481 PRESSAVG: 4503800 45.4424 16.8218 2.13837 16.8219 24.1983 22.584 2.13837 22.5839 -75.3 GPRESSAVG: 4503800 44.1666 14.9464 -0.378083 16.5623 24.3914 22.7136 3.2155 22.3329 -74.1121 TIMING: 4503800 CPU: 13037.4, 0.00287825/step Wall: 13037.4, 0.00287825/step, 0.396719 hours remaining, 213.187500 MB of memory in use. ENERGY: 4503800 730.0297 2036.6748 1955.1705 109.3602 -206306.1432 17823.6684 0.0000 0.0000 34042.5915 -149608.6482 297.3024 -183651.2397 -149513.5987 297.8281 -149.3865 -116.5944 559299.1182 -1.8864 -1.8514 PRESSURE: 4504000 -79.0806 -206.961 53.5118 -206.961 -196.002 -201.155 53.5116 -201.156 -66.0758 GPRESSURE: 4504000 -7.94177 -123.25 -28.6861 -158.347 -172.28 -58.9717 128.551 -253.7 -68.1324 PRESSAVG: 4504000 40.3566 -20.2727 13.2184 -20.2728 5.28139 19.7636 13.2183 19.7637 -4.29352 GPRESSAVG: 4504000 40.9603 -17.024 13.5923 -22.7003 4.87485 20.102 13.6512 21.1437 -4.9017 TIMING: 4504000 CPU: 13038, 0.00289374/step Wall: 13038, 0.00289374/step, 0.398693 hours remaining, 213.187500 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: 4504000 757.5071 2127.5565 1942.1045 113.6720 -206455.1169 17851.8473 0.0000 0.0000 34096.3165 -149566.1130 297.7716 -183662.4295 -149478.5904 298.2548 -113.7193 -82.7848 558983.8593 13.7815 13.6445 PRESSURE: 4504200 78.1365 24.5461 -185.422 24.5471 66.3237 -240.331 -185.42 -240.331 -72.4498 GPRESSURE: 4504200 91.0996 -15.7328 -199.086 -39.0787 93.3239 -90.0784 -162.1 -260.972 -26.4117 PRESSAVG: 4504200 28.2682 -19.3497 24.0779 -19.3499 -84.0189 -55.8394 24.078 -55.8395 17.8902 GPRESSAVG: 4504200 27.0435 -21.8561 25.0694 -17.9371 -83.7664 -53.9642 25.9474 -56.8966 18.1728 TIMING: 4504200 CPU: 13038.6, 0.00287225/step Wall: 13038.6, 0.00287225/step, 0.395572 hours remaining, 213.187500 MB of memory in use. ENERGY: 4504200 768.9014 2068.9079 1957.1708 129.8451 -206491.4510 17866.2081 0.0000 0.0000 34088.9517 -149611.4661 297.7073 -183700.4178 -149516.8651 298.2180 24.0035 52.6706 557415.1847 -12.6201 -12.8500 LDB: ============= START OF LOAD BALANCING ============== 13042 LDB: ============== END OF LOAD BALANCING =============== 13042 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13042 LDB: ============= START OF LOAD BALANCING ============== 13042.3 LDB: Largest compute 4773 load 0.025610 is 21.7% of average load 0.118009 LDB: Average compute 0.001724 is 1.5% of average load 0.118009 LDB: TIME 13042.3 LOAD: AVG 0.118009 MAX 0.178863 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.387 MB LDB: TIME 13042.3 LOAD: AVG 0.118009 MAX 0.178863 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.387 MB LDB: TIME 13042.3 LOAD: AVG 0.118009 MAX 0.178863 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.387 MB LDB: ============== END OF LOAD BALANCING =============== 13042.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13042.3 PRESSURE: 4504400 48.0039 -84.9738 -40.1236 -84.974 116.768 41.9184 -40.1232 41.9182 -207.93 GPRESSURE: 4504400 79.2247 -36.2449 -41.6831 -25.8804 154.768 17.9305 19.3835 -5.46434 -187.632 PRESSAVG: 4504400 43.7957 -12.986 -8.35854 -12.986 -1.34619 -20.691 -8.35858 -20.691 -15.9497 GPRESSAVG: 4504400 43.4869 -13.0058 -8.3263 -11.9772 -1.3312 -22.5468 -10.1729 -19.1067 -16.9491 TIMING: 4504400 CPU: 13039.2, 0.00293611/step Wall: 13039.2, 0.00293611/step, 0.404204 hours remaining, 211.699219 MB of memory in use. ENERGY: 4504400 727.0450 2124.6518 1959.0724 107.9131 -205893.8638 17516.0632 0.0000 0.0000 34100.5476 -149358.5706 297.8086 -183459.1183 -149264.0775 298.8340 -14.3860 15.4538 558804.9686 8.8333 8.4022 PRESSURE: 4504600 -117.768 -90.6287 127.861 -90.6281 -21.5257 -154.296 127.86 -154.295 114.278 GPRESSURE: 4504600 -69.4596 -122.906 124.206 -136.509 -21.0516 -110.57 81.0041 -145.735 156.398 PRESSAVG: 4504600 51.4012 -37.5869 34.4636 -37.5868 17.9055 -68.1877 34.4635 -68.1877 -18.7492 GPRESSAVG: 4504600 51.2496 -38.2287 33.2894 -37.1983 17.5775 -69.0132 36.2223 -70.6618 -17.774 TIMING: 4504600 CPU: 13039.7, 0.0028843/step Wall: 13039.7, 0.0028843/step, 0.396911 hours remaining, 211.769531 MB of memory in use. ENERGY: 4504600 778.0913 2136.2027 1949.7666 108.2480 -206285.7811 17863.7882 0.0000 0.0000 34100.4294 -149349.2549 297.8075 -183449.6843 -149251.0442 298.8533 -8.3383 21.9623 558560.6797 16.8525 17.0177 PRESSURE: 4504800 -114.26 -43.5593 102.848 -43.5596 127.438 -56.3663 102.847 -56.3669 15.3242 GPRESSURE: 4504800 -24.9402 30.7539 119.123 45.2561 115.281 -75.4369 30.9653 -18.8519 34.4126 PRESSAVG: 4504800 -14.1009 7.67502 30.3599 7.67506 10.9446 -26.4993 30.3599 -26.4993 17.8528 GPRESSAVG: 4504800 -13.0229 9.75093 30.2343 5.53564 10.1743 -23.8876 29.313 -25.2721 17.0641 TIMING: 4504800 CPU: 13040.3, 0.00288235/step Wall: 13040.3, 0.00288235/step, 0.396484 hours remaining, 211.769531 MB of memory in use. ENERGY: 4504800 735.3772 2094.1865 1940.9728 121.5193 -206150.4733 17852.0500 0.0000 0.0000 34079.3626 -149327.0050 297.6235 -183406.3676 -149224.0499 298.7243 9.5005 41.5844 558224.2713 4.8988 4.7385 PRESSURE: 4505000 -81.7736 119.532 21.2545 119.533 -133.37 -72.417 21.2547 -72.4161 -208.384 GPRESSURE: 4505000 -62.434 135.48 50.9402 125.129 -120.748 -123.794 66.7368 -45.2236 -152.526 PRESSAVG: 4505000 -10.5682 20.1469 -43.4805 20.1469 -16.2554 -48.8609 -43.4806 -48.8608 -2.11358 GPRESSAVG: 4505000 -9.9903 19.5439 -44.4819 23.1065 -15.2239 -50.9094 -41.8238 -46.8625 -3.74627 TIMING: 4505000 CPU: 13040.9, 0.00287405/step Wall: 13040.9, 0.00287405/step, 0.395182 hours remaining, 211.769531 MB of memory in use. ENERGY: 4505000 742.4857 2102.9119 1934.2038 109.7394 -205771.9721 17397.3900 0.0000 0.0000 34108.4074 -149376.8339 297.8772 -183485.2413 -149286.5882 298.2063 -141.1756 -111.9026 557290.7025 -9.6457 -9.6535 PRESSURE: 4505200 -87.1792 -141.758 109.96 -141.76 -131.112 25.2127 109.96 25.213 -272.128 GPRESSURE: 4505200 -84.063 -59.4145 20.2477 -140.773 -27.566 37.1665 101.841 43.1765 -277.269 PRESSAVG: 4505200 -5.95575 -29.6967 -13.7156 -29.6967 -4.08636 -31.3683 -13.7157 -31.3684 4.4837 GPRESSAVG: 4505200 -6.75328 -29.8575 -12.7514 -32.1437 -4.72312 -30.7928 -14.0596 -33.9411 5.52743 TIMING: 4505200 CPU: 13041.5, 0.00287445/step Wall: 13041.5, 0.00287445/step, 0.395077 hours remaining, 211.769531 MB of memory in use. ENERGY: 4505200 733.0766 2099.0885 1961.8389 113.8532 -206269.6535 17757.3453 0.0000 0.0000 34303.8120 -149300.6390 299.5837 -183604.4510 -149204.6236 299.4270 -163.4731 -129.6328 557606.8703 -1.8528 -1.9830 PRESSURE: 4505400 -341.553 -162.87 -40.2038 -162.869 -181.283 -24.9706 -40.2038 -24.969 -62.8457 GPRESSURE: 4505400 -246.048 -88.7822 21.5566 -187.583 -184.669 54.7621 -8.27887 -73.247 -57.4572 PRESSAVG: 4505400 -72.6414 -50.7747 4.00798 -50.7747 15.4864 22.0147 4.00802 22.0148 67.9154 GPRESSAVG: 4505400 -71.9257 -50.4412 4.66259 -49.991 14.5423 22.4207 2.29289 23.663 68.2016 TIMING: 4505400 CPU: 13042, 0.00287859/step Wall: 13042, 0.00287859/step, 0.395486 hours remaining, 211.769531 MB of memory in use. ENERGY: 4505400 815.9115 2016.1252 1950.6373 132.3035 -206038.1923 17685.4491 0.0000 0.0000 34056.4160 -149381.3497 297.4232 -183437.7657 -149283.7225 298.8296 -195.2271 -162.7246 557429.7655 3.5868 3.6061 PRESSURE: 4505600 360.316 25.0911 71.9035 25.0902 -67.5668 106.482 71.9045 106.483 -100.945 GPRESSURE: 4505600 369.269 13.1326 70.0196 40.9472 -65.4289 164.721 29.6091 50.79 -19.2161 PRESSAVG: 4505600 -62.8465 -43.9647 50.8611 -43.9648 -15.3128 -2.85633 50.8611 -2.85632 46.2172 GPRESSAVG: 4505600 -62.6305 -46.1242 48.8478 -42.0119 -14.8039 -2.10764 52.4289 -5.81857 45.5889 TIMING: 4505600 CPU: 13042.6, 0.00287435/step Wall: 13042.6, 0.00287435/step, 0.394744 hours remaining, 211.769531 MB of memory in use. ENERGY: 4505600 755.0862 2074.6459 1934.3524 116.3946 -206358.8517 17891.7787 0.0000 0.0000 34261.5753 -149325.0184 299.2149 -183586.5937 -149233.0240 298.6796 63.9349 94.8746 556491.9927 -10.6474 -10.6152 PRESSURE: 4505800 -63.0391 4.11937 185.689 4.11858 -121.537 -83.1552 185.689 -83.154 -7.00887 GPRESSURE: 4505800 -6.87326 82.4528 263.234 -16.6086 -78.2812 -88.7099 256.066 -43.0978 -8.71624 PRESSAVG: 4505800 -18.3161 16.9434 64.1697 16.9434 -40.0351 -3.01234 64.1697 -3.01232 13.0483 GPRESSAVG: 4505800 -19.7223 16.9116 63.6992 18.3372 -38.763 -3.95947 63.7373 -1.08249 12.7836 TIMING: 4505800 CPU: 13043.2, 0.00285392/step Wall: 13043.2, 0.00285392/step, 0.39178 hours remaining, 211.769531 MB of memory in use. ENERGY: 4505800 702.1299 2038.7275 1932.8425 104.2169 -205635.1963 17470.8477 0.0000 0.0000 34193.5750 -149192.8568 298.6210 -183386.4318 -149097.4322 298.4807 -63.8618 -31.2902 557190.5639 -15.1010 -15.2339 PRESSURE: 4506000 257.026 -23.5014 131.333 -23.5021 -25.4235 231.046 131.332 231.047 -88.9958 GPRESSURE: 4506000 256.531 -50.6871 187.138 -32.4164 17.1778 186.915 81.8105 292.42 -21.5658 PRESSAVG: 4506000 -47.3797 -57.0136 41.9122 -57.0136 14.2711 75.9311 41.9121 75.9311 32.9596 GPRESSAVG: 4506000 -47.5889 -57.0228 42.1855 -56.1801 13.838 75.1169 41.0293 76.1636 33.7114 TIMING: 4506000 CPU: 13043.8, 0.00288757/step Wall: 13043.8, 0.00288757/step, 0.396239 hours remaining, 211.769531 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: 4506000 728.6840 2062.0688 1913.1171 120.0508 -206008.9303 17794.7813 0.0000 0.0000 34027.1397 -149363.0885 297.1675 -183390.2282 -149263.0954 298.9171 47.5357 84.0476 556557.5777 -0.0497 -0.0132 PRESSURE: 4506200 -61.0802 -81.372 83.7033 -81.3706 200.056 129.526 83.7035 129.525 116.473 GPRESSURE: 4506200 -36.6367 -53.8993 106.483 -102.641 231.518 102.275 120.485 172.562 158.968 PRESSAVG: 4506200 -11.5115 26.3627 21.1828 26.3628 56.1691 76.4102 21.1828 76.4102 -4.43378 GPRESSAVG: 4506200 -11.1183 28.0663 21.9821 22.2243 55.4685 77.3621 21.7141 76.58 -4.44251 TIMING: 4506200 CPU: 13044.4, 0.00288991/step Wall: 13044.4, 0.00288991/step, 0.396399 hours remaining, 211.769531 MB of memory in use. ENERGY: 4506200 760.0652 2107.4508 1939.2138 125.7253 -206687.4630 18000.3211 0.0000 0.0000 34221.2288 -149533.4581 298.8625 -183754.6869 -149438.1305 298.6841 85.1495 117.9498 556645.5333 13.4079 13.3026 PRESSURE: 4506400 111.554 -250.928 102.015 -250.927 181.683 69.2451 102.016 69.2454 -184.044 GPRESSURE: 4506400 192.854 -174.53 29.1819 -225.782 222.077 88.3994 217.039 83.9527 -202.116 PRESSAVG: 4506400 -25.1719 -14.5022 45.9295 -14.5022 72.5725 -9.23481 45.9296 -9.23471 -47.9964 GPRESSAVG: 4506400 -24.9116 -15.2906 45.6228 -12.4934 73.2645 -8.1442 47.2371 -10.5037 -49.3483 TIMING: 4506400 CPU: 13044.9, 0.00287807/step Wall: 13044.9, 0.00287807/step, 0.394615 hours remaining, 211.769531 MB of memory in use. ENERGY: 4506400 766.8112 2055.3961 1933.0460 104.4829 -206580.2411 17981.5638 0.0000 0.0000 34180.9426 -149557.9986 298.5107 -183738.9412 -149460.6828 298.4225 36.3975 70.9383 556177.0721 -0.1986 -0.3318 PRESSURE: 4506600 -81.4099 20.5608 -39.3822 20.5615 216.413 -224.422 -39.3829 -224.42 -207.422 GPRESSURE: 4506600 -42.883 90.9206 -36.4118 -37.5479 272.604 -167.362 -36.7526 -201.819 -211.408 PRESSAVG: 4506600 -43.2492 -71.4868 40.3788 -71.4868 38.6853 51.3233 40.3789 51.3232 -27.3581 GPRESSAVG: 4506600 -41.5807 -71.471 40.1629 -71.0561 37.0234 51.09 39.2676 52.0212 -26.9138 TIMING: 4506600 CPU: 13045.5, 0.00288718/step Wall: 13045.5, 0.00288718/step, 0.395704 hours remaining, 211.769531 MB of memory in use. ENERGY: 4506600 739.9994 2037.2111 1943.5158 103.1963 -206355.3167 17905.9955 0.0000 0.0000 34294.5069 -149330.8916 299.5025 -183625.3985 -149230.8760 299.2731 -24.1398 6.1045 558213.3174 -10.6407 -10.4903 PRESSURE: 4506800 -309.607 -81.2993 33.0172 -81.2988 -341.123 -16.4365 33.0159 -16.4374 -30.7165 GPRESSURE: 4506800 -319.425 -144.471 79.6669 -1.39553 -232.572 -47.7834 9.03646 -70.3453 -24.4908 PRESSAVG: 4506800 23.8019 11.9798 -8.87783 11.9797 71.6314 -8.25286 -8.87782 -8.25277 -92.1805 GPRESSAVG: 4506800 22.1871 10.1231 -7.72404 11.57 73.4178 -10.7856 -9.22179 -7.22318 -92.7964 TIMING: 4506800 CPU: 13046.1, 0.00286633/step Wall: 13046.1, 0.00286633/step, 0.392687 hours remaining, 211.769531 MB of memory in use. ENERGY: 4506800 769.7179 2053.9929 1926.9080 89.8544 -205901.8346 17578.9370 0.0000 0.0000 34325.0156 -149157.4089 299.7689 -183482.4245 -149059.7831 299.8403 -227.1491 -192.1629 558382.3231 1.0843 0.9362 PRESSURE: 4507000 -73.4286 73.2195 -53.629 73.22 61.9955 42.0224 -53.6292 42.0222 -15.2917 GPRESSURE: 4507000 -33.1439 65.1967 -76.6007 108.1 81.876 58.2738 7.42071 77.181 33.2492 PRESSAVG: 4507000 -16.3326 8.20176 11.4109 8.20172 34.2414 -10.042 11.4109 -10.042 -4.58224 GPRESSAVG: 4507000 -15.6567 10.8288 11.7691 6.77425 33.5853 -6.47997 11.9566 -12.5048 -4.31045 TIMING: 4507000 CPU: 13046.7, 0.00287439/step Wall: 13046.7, 0.00287439/step, 0.393632 hours remaining, 211.769531 MB of memory in use. ENERGY: 4507000 750.8997 2117.4823 1930.6833 115.5688 -206048.8878 17772.2790 0.0000 0.0000 34236.3752 -149125.5995 298.9948 -183361.9747 -149033.4496 299.9987 -8.9083 27.3271 556324.4092 4.4422 4.5394 PRESSURE: 4507200 -78.5353 13.4733 120.904 13.4743 118.563 -100.928 120.903 -100.928 -10.6057 GPRESSURE: 4507200 -49.4805 -0.013099 113.748 16.9503 150.101 -124.098 128.635 -100.954 33.0653 PRESSAVG: 4507200 -55.4571 -19.5252 52.1321 -19.5252 14.1723 33.7361 52.1321 33.736 27.443 GPRESSAVG: 4507200 -54.2336 -19.352 49.4397 -18.234 13.067 32.2372 51.9428 35.2692 27.5097 TIMING: 4507200 CPU: 13047.2, 0.00287549/step Wall: 13047.2, 0.00287549/step, 0.393622 hours remaining, 211.769531 MB of memory in use. ENERGY: 4507200 758.7456 2114.3476 1925.1696 113.4824 -206145.7660 17813.6315 0.0000 0.0000 34272.2024 -149148.1869 299.3077 -183420.3893 -149051.5173 299.4495 9.8072 44.5621 556975.8686 -4.6139 -4.5523 PRESSURE: 4507400 -73.264 29.7342 64.7032 29.7348 -19.97 96.7098 64.7029 96.7096 19.8228 GPRESSURE: 4507400 -80.7471 36.7654 57.0129 104.713 34.6065 82.1362 35.2193 116.2 80.9442 PRESSAVG: 4507400 -30.1678 -32.5478 -17.8498 -32.5478 57.6017 15.2162 -17.8497 15.2162 -0.532595 GPRESSAVG: 4507400 -32.8479 -33.5207 -17.5074 -33.7249 60.1973 14.7778 -16.7854 14.1586 -0.56959 TIMING: 4507400 CPU: 13047.8, 0.00288804/step Wall: 13047.8, 0.00288804/step, 0.39518 hours remaining, 211.769531 MB of memory in use. ENERGY: 4507400 745.3720 2049.2001 1952.4172 111.9112 -206110.5128 17741.3651 0.0000 0.0000 34410.5784 -149099.6688 300.5161 -183510.2472 -149008.3965 299.6940 -24.4704 11.6012 557625.5254 8.9671 8.9266 PRESSURE: 4507600 256.916 115.635 70.4791 115.635 12.0515 -50.7538 70.4798 -50.7526 42.9862 GPRESSURE: 4507600 315.322 67.3975 113.763 138.411 25.5186 -24.599 69.3804 -98.5444 57.2917 PRESSAVG: 4507600 24.4495 10.271 -1.77432 10.2709 31.0352 45.4677 -1.77441 45.4677 -63.8739 GPRESSAVG: 4507600 26.9496 11.3004 -0.259829 9.47353 29.299 46.142 -2.788 45.9425 -64.141 TIMING: 4507600 CPU: 13048.4, 0.00288745/step Wall: 13048.4, 0.00288745/step, 0.394939 hours remaining, 211.769531 MB of memory in use. ENERGY: 4507600 744.0729 2098.2278 1931.7678 107.0212 -206557.0371 18004.5862 0.0000 0.0000 34502.7120 -149168.6491 301.3208 -183671.3611 -149070.1103 299.7944 103.9844 132.7107 556929.5815 -2.7964 -2.6308 PRESSURE: 4507800 31.0888 138.81 53.3157 138.809 -30.8705 63.7519 53.316 63.7511 -64.4001 GPRESSURE: 4507800 49.8437 156.461 -25.294 200.987 -36.4266 -49.5027 143.532 128.239 28.161 PRESSAVG: 4507800 0.723432 49.1918 31.1912 49.1919 -2.82668 -15.1318 31.1913 -15.1318 11.7988 GPRESSAVG: 4507800 0.0928778 47.8971 30.751 50.833 -2.41518 -17.9611 30.6358 -13.9689 11.377 TIMING: 4507800 CPU: 13049, 0.00286068/step Wall: 13049, 0.00286068/step, 0.391118 hours remaining, 211.769531 MB of memory in use. ENERGY: 4507800 730.7189 2118.7675 1923.8864 98.2774 -206227.4279 17835.5292 0.0000 0.0000 34268.4116 -149251.8368 299.2746 -183520.2485 -149156.2301 299.3920 -21.3939 13.8594 557675.2273 3.2318 3.0182 PRESSURE: 4508000 233.823 21.9421 -76.5975 21.9422 -64.582 19.5208 -76.5961 19.521 292.926 GPRESSURE: 4508000 217.575 35.2162 -28.8103 72.6933 -14.8884 27.3245 -34.9086 94.6714 362.745 PRESSAVG: 4508000 30.8842 20.1593 -13.9847 20.1594 -39.545 -40.4721 -13.9846 -40.472 11.0082 GPRESSAVG: 4508000 28.5813 20.6512 -12.1041 21.0283 -37.8529 -38.4887 -14.553 -40.7784 10.7994 TIMING: 4508000 CPU: 13049.5, 0.00286755/step Wall: 13049.5, 0.00286755/step, 0.391898 hours remaining, 211.769531 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: 4508000 714.3196 2065.5842 1922.8978 95.1358 -206557.7251 18064.7653 0.0000 0.0000 34315.8166 -149379.2057 299.6886 -183695.0223 -149277.5167 299.2158 154.0557 188.4774 555190.3883 0.7825 0.5093 PRESSURE: 4508200 -40.681 23.5636 -0.348784 23.563 -76.9683 1.83605 -0.348038 1.83412 55.3317 GPRESSURE: 4508200 22.3384 -19.5276 -10.2178 44.8559 -72.7069 -37.6136 -39.3371 -4.86345 93.5474 PRESSAVG: 4508200 -33.3033 43.5452 24.9257 43.5452 9.10907 1.71062 24.9257 1.71059 -17.021 GPRESSAVG: 4508200 -32.1745 45.466 24.0015 42.1345 7.60227 1.40805 24.4141 -0.200935 -16.5326 TIMING: 4508200 CPU: 13050.1, 0.00288655/step Wall: 13050.1, 0.00288655/step, 0.394335 hours remaining, 211.769531 MB of memory in use. ENERGY: 4508200 764.3567 2123.1453 1921.7249 110.4251 -206107.1555 17737.3271 0.0000 0.0000 34462.5590 -148987.6175 300.9701 -183450.1765 -148897.8848 299.5940 -20.7725 14.3930 555909.5201 -13.7384 -13.7016 LDB: ============= START OF LOAD BALANCING ============== 13053.5 LDB: ============== END OF LOAD BALANCING =============== 13053.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13053.5 LDB: ============= START OF LOAD BALANCING ============== 13053.8 LDB: Largest compute 4773 load 0.024797 is 21.0% of average load 0.118008 LDB: Average compute 0.001726 is 1.5% of average load 0.118008 LDB: TIME 13053.8 LOAD: AVG 0.118008 MAX 0.180157 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.156 MB LDB: TIME 13053.8 LOAD: AVG 0.118008 MAX 0.180157 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: TIME 13053.8 LOAD: AVG 0.118008 MAX 0.180157 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13053.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13053.8 PRESSURE: 4508400 131.897 -61.7166 36.0796 -61.7176 242.879 96.6991 36.0802 96.6983 12.3315 GPRESSURE: 4508400 153.47 -82.9909 30.3718 57.4794 248.526 -24.6483 66.6025 60.8488 81.2102 PRESSAVG: 4508400 -72.739 3.0086 34.5299 3.00853 79.2638 9.53818 34.5299 9.53823 -7.26877 GPRESSAVG: 4508400 -73.5543 0.00960898 33.7159 2.8604 79.5493 9.15632 36.2906 10.5572 -6.77512 TIMING: 4508400 CPU: 13050.7, 0.00294786/step Wall: 13050.7, 0.00294786/step, 0.402546 hours remaining, 209.644531 MB of memory in use. ENERGY: 4508400 693.6798 2109.5441 1950.5277 113.3495 -206124.3154 17863.0250 0.0000 0.0000 34215.9235 -149178.2657 298.8162 -183394.1892 -149076.5801 299.5399 129.0359 161.0687 555851.3008 -0.2480 -0.2600 PRESSURE: 4508600 -225.367 83.6956 -52.9605 83.6955 30.1805 55.6482 -52.9603 55.648 162.815 GPRESSURE: 4508600 -177.45 22.4329 -35.918 129.988 53.4643 9.37889 -31.4142 53.0864 176.691 PRESSAVG: 4508600 -40.9667 -20.6311 -53.4121 -20.631 48.1738 55.7273 -53.4121 55.7274 17.0347 GPRESSAVG: 4508600 -39.8312 -18.2193 -52.2322 -21.8544 47.7248 54.7148 -55.1535 55.606 16.6951 TIMING: 4508600 CPU: 13051.3, 0.00290076/step Wall: 13051.3, 0.00290076/step, 0.395954 hours remaining, 209.644531 MB of memory in use. ENERGY: 4508600 730.4657 2097.1205 1948.9718 105.6299 -205972.8197 17738.5364 0.0000 0.0000 34270.4563 -149081.6391 299.2924 -183352.0954 -148981.0050 299.6632 -10.7905 17.5684 555929.4801 8.0806 8.1962 PRESSURE: 4508800 -182.347 -0.691267 -28.2966 -0.69128 -382.053 19.3293 -28.2956 19.3284 -102.636 GPRESSURE: 4508800 -213.061 -60.7689 -32.7756 -46.3669 -287.847 -29.589 -48.0884 121.012 -62.4385 PRESSAVG: 4508800 -4.23479 7.08987 -7.13986 7.08983 -32.8536 40.6529 -7.13977 40.6529 40.1179 GPRESSAVG: 4508800 -4.51332 6.02555 -8.68529 8.4634 -32.8004 39.4717 -5.89819 40.6747 40.0889 TIMING: 4508800 CPU: 13051.9, 0.00287662/step Wall: 13051.9, 0.00287662/step, 0.392499 hours remaining, 209.644531 MB of memory in use. ENERGY: 4508800 752.3576 2045.9256 1962.6753 124.9858 -205538.6503 17266.4730 0.0000 0.0000 34307.5793 -149078.6537 299.6166 -183386.2330 -148981.0526 299.6604 -222.3453 -187.7822 557118.7853 1.0099 0.9251 PRESSURE: 4509000 -76.3073 212.348 26.4791 212.348 -37.6315 -203.863 26.4785 -203.863 -379.974 GPRESSURE: 4509000 -37.7505 190.729 50.3389 207.737 -41.8811 -94.1288 94.4736 -153.1 -317.965 PRESSAVG: 4509000 8.86237 36.1709 2.09011 36.1709 -21.699 7.32759 2.09014 7.32765 21.6102 GPRESSAVG: 4509000 9.40679 37.7535 4.53306 34.6708 -22.0886 10.608 -1.41258 6.62196 21.6812 TIMING: 4509000 CPU: 13052.4, 0.00287171/step Wall: 13052.4, 0.00287171/step, 0.391669 hours remaining, 209.644531 MB of memory in use. ENERGY: 4509000 742.2017 2057.4097 1929.3297 118.6918 -206051.0165 17610.9007 0.0000 0.0000 34450.7162 -149141.7668 300.8667 -183592.4830 -149043.6143 299.3425 -164.6376 -132.5321 556572.0617 2.9245 2.9998 PRESSURE: 4509200 -411.015 90.6455 -115.119 90.6441 -159.698 -247.763 -115.121 -247.762 13.1846 GPRESSURE: 4509200 -320.221 179.501 -167.581 80.6605 -187.283 -243.177 -35.0358 -300.567 47.6037 PRESSAVG: 4509200 0.734205 55.2974 27.891 55.2975 -14.2688 -4.23314 27.8909 -4.23307 10.3109 GPRESSAVG: 4509200 1.30731 55.4873 26.0633 56.8576 -15.7219 -3.82582 33.2095 -5.03481 10.5741 TIMING: 4509200 CPU: 13053, 0.00287109/step Wall: 13053, 0.00287109/step, 0.391425 hours remaining, 209.644531 MB of memory in use. ENERGY: 4509200 766.2018 2054.4287 1952.2369 121.9129 -206102.2254 17713.8134 0.0000 0.0000 34230.9618 -149262.6698 298.9475 -183493.6317 -149164.0722 299.5878 -185.8429 -153.3003 558344.2108 -1.0746 -1.2802 PRESSURE: 4509400 -162.725 -22.6253 -125.068 -22.6255 -158.246 46.0329 -125.068 46.0327 -157.226 GPRESSURE: 4509400 -120.525 -49.0901 -279.733 -58.449 -99.1 43.7536 -128.564 94.1948 -156.245 PRESSAVG: 4509400 -15.4306 60.7197 7.35727 60.7198 8.9025 25.9923 7.3572 25.9924 28.2398 GPRESSAVG: 4509400 -15.8297 60.5479 6.56389 59.6665 10.8666 26.236 4.92033 26.4562 26.8634 TIMING: 4509400 CPU: 13053.6, 0.00288147/step Wall: 13053.6, 0.00288147/step, 0.392681 hours remaining, 209.644531 MB of memory in use. ENERGY: 4509400 744.9985 2051.0893 1982.2475 107.5503 -205779.6638 17609.0400 0.0000 0.0000 34120.4222 -149164.3161 297.9821 -183284.7383 -149067.3576 299.3665 -159.3987 -125.2901 558582.4418 7.2372 7.3001 PRESSURE: 4509600 -71.7123 -89.3159 151.933 -89.3163 -137.184 -36.1874 151.934 -36.1875 94.0927 GPRESSURE: 4509600 -10.1741 -45.1633 116.886 -93.6976 -97.7073 1.16199 112.356 58.4401 98.251 PRESSAVG: 4509600 72.4076 12.8565 44.4651 12.8563 -21.3756 -39.4852 44.465 -39.4852 -20.6693 GPRESSAVG: 4509600 70.5425 10.7078 47.2736 14.3978 -21.7131 -41.0682 43.7919 -40.0289 -18.8739 TIMING: 4509600 CPU: 13054.2, 0.00289072/step Wall: 13054.2, 0.00289073/step, 0.393781 hours remaining, 209.644531 MB of memory in use. ENERGY: 4509600 781.2094 2068.6232 1925.4639 115.3268 -206011.8875 17780.2998 0.0000 0.0000 34208.5800 -149132.3843 298.7520 -183340.9643 -149039.5434 299.7049 -38.2680 -3.2101 556945.1936 10.1209 9.9852 PRESSURE: 4509800 -28.3656 98.8108 62.4974 98.8114 29.1888 71.5947 62.4971 71.5947 212.963 GPRESSURE: 4509800 1.41196 139.265 46.4578 64.8936 90.0418 55.2228 31.8042 92.3236 221.186 PRESSAVG: 4509800 51.0686 3.33012 106.555 3.33015 -35.9337 12.3858 106.555 12.3858 43.2534 GPRESSAVG: 4509800 52.8786 6.10825 105.941 -0.00554104 -36.8006 12.3035 106.818 13.4908 42.7626 TIMING: 4509800 CPU: 13054.7, 0.0028609/step Wall: 13054.7, 0.0028609/step, 0.389559 hours remaining, 209.644531 MB of memory in use. ENERGY: 4509800 749.3813 2044.7709 1956.5876 121.0980 -206218.7937 17800.5912 0.0000 0.0000 34580.6142 -148965.7505 302.0011 -183546.3647 -148868.8359 299.6561 71.2620 104.2132 555000.1869 19.4628 19.6135 PRESSURE: 4510000 154.94 47.1397 97.1862 47.1408 146.699 39.0855 97.1849 39.0872 9.58158 GPRESSURE: 4510000 180.765 -6.29927 35.9967 103.595 136.367 33.0226 149.634 1.94146 81.8832 PRESSAVG: 4510000 84.4692 6.96678 84.7516 6.96671 -37.3906 -7.6301 84.7516 -7.63017 -26.3644 GPRESSAVG: 4510000 84.1408 5.92522 83.5014 9.5197 -36.819 -6.91371 84.1392 -8.6658 -27.1686 TIMING: 4510000 CPU: 13055.3, 0.00289836/step Wall: 13055.3, 0.00289836/step, 0.394499 hours remaining, 209.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4510000 720.5630 2056.3542 1959.8477 110.9517 -206049.2542 17685.4807 0.0000 0.0000 34424.1780 -149091.8789 300.6349 -183516.0568 -148997.3706 299.7014 103.7401 133.0048 557189.2164 6.9047 6.7177 PRESSURE: 4510200 -19.8362 143.619 -69.3672 143.621 157.815 38.3514 -69.3682 38.3518 -4.45161 GPRESSURE: 4510200 35.5885 140.848 -124.637 106.994 219.023 14.7044 -3.83917 45.9001 -7.06815 PRESSAVG: 4510200 40.6963 22.8416 54.0858 22.8416 10.0666 -9.42245 54.0858 -9.42243 -52.4009 GPRESSAVG: 4510200 40.0184 23.053 55.7977 22.5352 11.7734 -12.9029 55.8872 -9.71562 -52.8806 TIMING: 4510200 CPU: 13055.9, 0.00287563/step Wall: 13055.9, 0.00287563/step, 0.391246 hours remaining, 209.644531 MB of memory in use. ENERGY: 4510200 744.1621 2029.1288 1951.1967 106.5950 -206154.4504 17866.1810 0.0000 0.0000 34185.6316 -149271.5551 298.5516 -183457.1867 -149182.0077 299.4044 44.5090 82.5144 556549.3301 -0.5460 -0.3629 PRESSURE: 4510400 120.308 68.5608 -1.08425 68.5607 -28.1843 -168.664 -1.08581 -168.665 -243.532 GPRESSURE: 4510400 160.252 23.5626 27.457 37.8041 -29.9577 -122.158 -74.0525 -210.505 -171.314 PRESSAVG: 4510400 0.907312 6.1908 -26.6209 6.19089 57.0799 -26.0148 -26.621 -26.0148 -23.2274 GPRESSAVG: 4510400 0.850236 5.19514 -27.1599 7.62903 56.9711 -23.4124 -27.4042 -27.1472 -22.8221 TIMING: 4510400 CPU: 13056.5, 0.00290064/step Wall: 13056.5, 0.00290064/step, 0.394487 hours remaining, 209.644531 MB of memory in use. ENERGY: 4510400 740.9105 2063.3095 1941.6016 111.9982 -206265.6926 17812.5742 0.0000 0.0000 34142.3175 -149452.9811 298.1734 -183595.2987 -149354.4397 298.7984 -50.4694 -13.6730 558211.1510 11.5866 11.6664 PRESSURE: 4510600 -91.2953 -49.8825 6.24454 -49.8816 -36.2014 -160.382 6.2449 -160.383 53.6551 GPRESSURE: 4510600 -19.6377 -59.8842 14.3203 -61.4668 -23.6773 -203.572 -8.75014 -95.3385 68.7272 PRESSAVG: 4510600 -10.6449 -19.4391 -15.1789 -19.439 -12.5399 -41.6114 -15.1788 -41.6114 -37.514 GPRESSAVG: 4510600 -10.1356 -18.4494 -14.8778 -20.4306 -13.3878 -41.5568 -17.7062 -41.7195 -36.9769 TIMING: 4510600 CPU: 13057, 0.00289811/step Wall: 13057, 0.00289811/step, 0.393982 hours remaining, 209.644531 MB of memory in use. ENERGY: 4510600 770.0473 2136.6120 1938.3744 117.0981 -206527.7846 17833.4402 0.0000 0.0000 34293.1699 -149439.0427 299.4908 -183732.2126 -149348.3242 298.5764 -24.6139 8.4708 557661.2428 -20.2330 -20.1668 PRESSURE: 4510800 -206.996 87.5194 -31.83 87.5206 -237.98 -44.7335 -31.83 -44.7334 88.4888 GPRESSURE: 4510800 -162.567 164.031 -63.1619 30.0181 -199.053 -25.9812 -46.0751 -26.743 110.555 PRESSAVG: 4510800 21.5203 -37.3015 4.66124 -37.3016 -11.0068 11.5251 4.66118 11.525 2.98682 GPRESSAVG: 4510800 21.8001 -35.4196 4.99085 -39.0966 -9.65878 11.1546 5.53156 13.0037 1.91316 TIMING: 4510800 CPU: 13057.6, 0.00288183/step Wall: 13057.6, 0.00288183/step, 0.391609 hours remaining, 209.644531 MB of memory in use. ENERGY: 4510800 726.4840 2111.4066 1964.3763 114.9776 -206066.8476 17594.6281 0.0000 0.0000 34142.8214 -149412.1536 298.1778 -183554.9750 -149310.4056 298.7329 -118.8288 -83.6882 557470.0910 4.5001 4.6848 PRESSURE: 4511000 -219.462 -0.936021 26.9714 -0.936502 -300.523 -96.1692 26.9714 -96.1719 -26.5927 GPRESSURE: 4511000 -160.845 40.8057 8.35106 23.761 -231.426 -115.938 -9.70145 -71.638 -49.3259 PRESSAVG: 4511000 34.7783 3.14495 2.97428 3.14499 -21.307 -40.5114 2.97434 -40.5113 -27.465 GPRESSAVG: 4511000 34.6009 0.904308 1.22616 5.24255 -21.2887 -40.0266 6.15586 -41.2432 -27.2037 TIMING: 4511000 CPU: 13058.2, 0.00285945/step Wall: 13058.2, 0.00285945/step, 0.388409 hours remaining, 209.847656 MB of memory in use. ENERGY: 4511000 747.8060 2101.9933 1934.3599 120.8108 -206066.0071 17674.9388 0.0000 0.0000 34184.9151 -149301.1832 298.5454 -183486.0983 -149197.2688 299.6131 -182.1926 -147.1988 557941.3298 -4.6646 -4.6305 PRESSURE: 4511200 -271.547 -75.8557 -53.6487 -75.8548 -283.701 -28.3732 -53.6491 -28.3737 -32.515 GPRESSURE: 4511200 -274.191 -47.1157 14.4889 21.0717 -240.66 -49.2329 -79.6344 -17.1311 30.0312 PRESSAVG: 4511200 -26.3376 -11.4397 14.6068 -11.4397 -16.7858 58.2854 14.6069 58.2854 58.7331 GPRESSAVG: 4511200 -25.9982 -11.8587 14.8343 -11.0851 -17.5065 57.4076 15.1458 58.4534 59.0205 TIMING: 4511200 CPU: 13058.8, 0.00289707/step Wall: 13058.8, 0.00289707/step, 0.393358 hours remaining, 209.847656 MB of memory in use. ENERGY: 4511200 779.8798 2124.4060 1967.5023 112.8997 -205817.6381 17568.0778 0.0000 0.0000 34373.1478 -148891.7245 300.1892 -183264.8723 -148797.5663 298.9598 -195.9208 -161.6065 558977.3543 5.2032 5.1719 PRESSURE: 4511400 -192.312 -45.8571 -101.057 -45.8573 50.6155 103.289 -101.057 103.288 -51.9147 GPRESSURE: 4511400 -186.503 -70.3631 -131.479 -20.5132 61.4661 72.6631 -87.3897 113.71 23.4856 PRESSAVG: 4511400 -12.5562 19.4505 13.6853 19.4506 1.80441 -55.336 13.6854 -55.336 59.3105 GPRESSAVG: 4511400 -13.5561 21.7378 13.3665 18.765 1.86475 -55.3555 13.3612 -55.7458 60.3098 TIMING: 4511400 CPU: 13059.3, 0.00290901/step Wall: 13059.3, 0.00290901/step, 0.394817 hours remaining, 209.847656 MB of memory in use. ENERGY: 4511400 747.7855 2112.5192 1955.6943 124.4972 -206316.6784 17919.6474 0.0000 0.0000 34513.7788 -148942.7561 301.4174 -183456.5349 -148844.7852 300.1669 -64.5369 -33.8504 558992.2344 16.1862 16.2062 PRESSURE: 4511600 16.8561 -183.712 133.168 -183.712 -17.8736 196.26 133.168 196.261 98.4283 GPRESSURE: 4511600 50.7396 -220.659 170.405 -111.922 5.45174 203.686 13.3904 224.671 130.75 PRESSAVG: 4511600 5.16324 78.1042 11.8269 78.1042 -24.946 -11.2516 11.8268 -11.2514 6.08665 GPRESSAVG: 4511600 6.3374 76.9018 12.1719 77.7231 -25.9072 -10.5389 10.5596 -11.6637 5.65667 TIMING: 4511600 CPU: 13059.9, 0.00287975/step Wall: 13059.9, 0.00287975/step, 0.390686 hours remaining, 209.847656 MB of memory in use. ENERGY: 4511600 726.9413 2164.1196 1954.5411 127.6614 -206471.2977 18000.6362 0.0000 0.0000 34631.9150 -148865.4830 302.4491 -183497.3980 -148763.0020 300.7283 32.4703 62.3137 557827.3649 -4.5654 -4.6377 PRESSURE: 4511800 215.123 55.42 -5.7066 55.4199 -163.776 43.0789 -5.70663 43.079 17.0165 GPRESSURE: 4511800 228.971 68.7435 38.9939 -19.6626 -142.014 53.6088 32.81 49.4439 81.4423 PRESSAVG: 4511800 80.9279 -32.5854 -2.26255 -32.5854 -78.3018 -36.941 -2.26246 -36.941 -1.77155 GPRESSAVG: 4511800 80.9628 -33.5406 -0.88982 -33.6857 -77.9914 -38.7638 -1.38683 -36.2745 -1.74442 TIMING: 4511800 CPU: 13060.5, 0.0028762/step Wall: 13060.5, 0.0028762/step, 0.390045 hours remaining, 209.847656 MB of memory in use. ENERGY: 4511800 751.4553 2135.8232 1949.5069 122.8680 -206101.8022 17817.9185 0.0000 0.0000 34304.5109 -149019.7194 299.5898 -183324.2303 -148927.3143 300.7046 22.7879 56.1332 557689.5210 0.2848 0.4090 PRESSURE: 4512000 -44.6746 66.9092 65.4055 66.9078 51.7837 58.7373 65.4063 58.7373 246.084 GPRESSURE: 4512000 19.3 105.866 92.8415 121.059 98.335 36.9057 84.3185 30.8933 233.566 PRESSAVG: 4512000 -47.486 1.48458 18.9464 1.48453 -55.7328 -54.533 18.9463 -54.533 84.9276 GPRESSAVG: 4512000 -48.0017 0.185093 20.6255 4.68067 -54.7088 -54.0745 17.5453 -55.2258 84.6525 TIMING: 4512000 CPU: 13061.1, 0.00288825/step Wall: 13061.1, 0.00288825/step, 0.391519 hours remaining, 209.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4512000 753.7352 2134.2289 1936.4595 115.4359 -206457.5123 18016.2651 0.0000 0.0000 34480.3864 -149021.0012 301.1258 -183501.3876 -148923.7693 300.6487 84.3976 117.0669 554891.5177 -6.0971 -6.0193 PRESSURE: 4512200 -51.9803 89.0411 -90.3634 89.0421 129.142 -7.49006 -90.3638 -7.48639 -170.126 GPRESSURE: 4512200 -44.8993 126.626 -121.129 18.2547 167.308 -3.37496 -131.354 19.8839 -117.006 PRESSAVG: 4512200 40.6 14.422 5.30637 14.4221 -31.2606 -68.5279 5.30638 -68.5277 48.8698 GPRESSAVG: 4512200 41.8003 17.0295 0.267701 11.8329 -32.3846 -68.2647 6.7141 -67.7581 48.3685 TIMING: 4512200 CPU: 13061.7, 0.00288686/step Wall: 13061.7, 0.00288686/step, 0.39117 hours remaining, 209.847656 MB of memory in use. ENERGY: 4512200 754.7931 2122.9323 1923.4631 105.3329 -206194.6697 17837.1154 0.0000 0.0000 34258.4624 -149192.5704 299.1877 -183451.0328 -149091.3788 299.8530 -30.9881 1.8009 557854.3878 19.4031 19.2614 LDB: ============= START OF LOAD BALANCING ============== 13065 LDB: ============== END OF LOAD BALANCING =============== 13065 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13065 LDB: ============= START OF LOAD BALANCING ============== 13065.3 LDB: Largest compute 4773 load 0.025089 is 21.3% of average load 0.118009 LDB: Average compute 0.001727 is 1.5% of average load 0.118009 LDB: TIME 13065.3 LOAD: AVG 0.118009 MAX 0.181152 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.414 MB LDB: TIME 13065.3 LOAD: AVG 0.118009 MAX 0.181152 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.613 MB LDB: TIME 13065.3 LOAD: AVG 0.118009 MAX 0.181152 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.613 MB LDB: ============== END OF LOAD BALANCING =============== 13065.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13065.3 PRESSURE: 4512400 116.893 -88.4462 -71.8197 -88.4456 -137.99 -113.906 -71.8191 -113.903 325.042 GPRESSURE: 4512400 171.649 -105.666 15.3784 -74.7057 -79.914 -92.6562 -124.771 -38.8273 310.686 PRESSAVG: 4512400 -60.7597 41.217 -44.9518 41.217 -21.7563 -33.0674 -44.9517 -33.0674 63.9681 GPRESSAVG: 4512400 -61.3456 39.4638 -42.5163 41.1228 -20.7423 -33.7377 -45.31 -31.5136 63.445 TIMING: 4512400 CPU: 13062.2, 0.00293471/step Wall: 13062.2, 0.00293471/step, 0.397491 hours remaining, 210.417969 MB of memory in use. ENERGY: 4512400 765.1876 2020.8002 1933.6576 109.7639 -206563.7128 18052.8590 0.0000 0.0000 34494.4031 -149187.0414 301.2482 -183681.4445 -149092.4035 299.7255 101.3147 134.1402 556505.3626 -6.1826 -6.2143 PRESSURE: 4512600 123.878 -148.12 37.1497 -148.12 -15.1751 -52.327 37.1495 -52.3258 48.7988 GPRESSURE: 4512600 159.595 -91.7063 37.0154 -60.8169 -8.79658 -109.468 38.6189 -51.9749 113.727 PRESSAVG: 4512600 -5.84582 -7.09212 -25.3813 -7.09208 -49.9173 -27.1106 -25.3813 -27.1106 37.2173 GPRESSAVG: 4512600 -6.649 -5.13279 -26.796 -6.83745 -50.1299 -28.643 -22.5366 -28.4951 37.9258 TIMING: 4512600 CPU: 13062.8, 0.00287943/step Wall: 13062.8, 0.00287943/step, 0.389843 hours remaining, 210.417969 MB of memory in use. ENERGY: 4512600 740.2464 2083.7392 1981.7405 110.0133 -206386.9911 17941.5187 0.0000 0.0000 34423.8941 -149105.8389 300.6324 -183529.7330 -149002.6735 299.9757 52.5004 88.1754 556878.9786 -6.1820 -6.2844 PRESSURE: 4512800 -46.0109 -22.914 -151.73 -22.914 -267.372 2.86092 -151.73 2.86194 -97.4525 GPRESSURE: 4512800 8.27816 -62.3584 -203.787 -45.4475 -260.979 45.5897 -136.584 42.8473 -62.782 PRESSAVG: 4512800 4.88337 -42.9839 -71.1212 -42.9838 16.4417 -23.7567 -71.1212 -23.7567 24.5756 GPRESSAVG: 4512800 5.66686 -42.012 -70.2052 -44.3274 14.9414 -21.6825 -72.8726 -24.2224 25.4452 TIMING: 4512800 CPU: 13063.4, 0.00287505/step Wall: 13063.4, 0.00287505/step, 0.389089 hours remaining, 210.417969 MB of memory in use. ENERGY: 4512800 772.5007 2119.9242 1954.9568 130.5101 -206153.2868 17699.5125 0.0000 0.0000 34341.8191 -149134.0632 299.9156 -183475.8823 -149031.2615 299.7073 -136.9452 -105.1610 558446.3538 15.3002 15.3512 PRESSURE: 4513000 -129.122 -35.1523 -245.684 -35.1518 -328.687 -51.945 -245.683 -51.9436 88.3129 GPRESSURE: 4513000 -114.481 -16.961 -255.801 -11.7902 -242.833 -7.71055 -274.129 -51.5911 76.4698 PRESSAVG: 4513000 55.482 -3.9965 -64.3251 -3.99647 6.94957 -30.5635 -64.325 -30.5635 -16.3173 GPRESSAVG: 4513000 55.4631 -5.22173 -64.1279 -3.229 8.19913 -31.8553 -64.218 -31.5334 -16.9905 TIMING: 4513000 CPU: 13064, 0.00286812/step Wall: 13064, 0.00286812/step, 0.387993 hours remaining, 210.417969 MB of memory in use. ENERGY: 4513000 761.5028 2083.2084 1969.8237 116.5920 -205908.8660 17509.1086 0.0000 0.0000 34221.2551 -149247.3753 298.8627 -183468.6304 -149160.4720 298.5452 -123.1653 -93.6147 557081.2688 15.3714 15.5572 PRESSURE: 4513200 20.3059 41.8853 -17.2998 41.8851 218.216 -101.024 -17.2998 -101.023 -244.295 GPRESSURE: 4513200 21.9685 9.19373 19.7048 44.2922 217.764 -72.7004 57.6276 -79.7826 -163.228 PRESSAVG: 4513200 -80.9176 40.2463 7.78814 40.2463 62.2685 15.2936 7.7882 15.2936 -15.8949 GPRESSAVG: 4513200 -80.2677 40.295 7.8678 39.9953 62.1569 14.7346 7.05724 16.5559 -16.7659 TIMING: 4513200 CPU: 13064.5, 0.00290164/step Wall: 13064.5, 0.00290164/step, 0.392366 hours remaining, 210.417969 MB of memory in use. ENERGY: 4513200 771.7597 2102.5515 1932.8905 109.4524 -206377.4501 17973.7254 0.0000 0.0000 34241.8123 -149245.2582 299.0423 -183487.0705 -149150.6286 299.1496 -1.9244 25.5015 556834.1938 -11.5146 -11.6255 PRESSURE: 4513400 -194.97 -112.203 -63.8261 -112.202 -234.573 -75.8659 -63.8246 -75.8645 -188.404 GPRESSURE: 4513400 -154.922 -51.7231 -58.7943 -139.298 -160.962 -38.9843 -58.2792 -30.2944 -206.341 PRESSAVG: 4513400 -9.96616 29.1746 -11.1089 29.1746 25.9656 1.53131 -11.1089 1.53147 -15.7521 GPRESSAVG: 4513400 -11.2983 29.7247 -12.0137 28.9504 26.8342 4.21665 -10.1088 0.886984 -15.0313 TIMING: 4513400 CPU: 13065.1, 0.00289936/step Wall: 13065.1, 0.00289936/step, 0.391897 hours remaining, 210.417969 MB of memory in use. ENERGY: 4513400 775.1470 2086.7447 1980.1491 109.2633 -205960.0808 17587.7785 0.0000 0.0000 34137.5605 -149283.4376 298.1318 -183420.9981 -149183.5862 299.0489 -205.9821 -174.0750 558148.7729 0.0824 0.1682 PRESSURE: 4513600 -94.4377 49.9625 -36.8454 49.9625 -109.226 89.8641 -36.8447 89.8654 -155.606 GPRESSURE: 4513600 -56.3892 -6.64978 -81.6682 75.71 -105.143 54.8388 -34.6562 43.4927 -102.964 PRESSAVG: 4513600 -4.91277 2.95034 -43.5068 2.95025 34.5831 21.5633 -43.5069 21.5632 -40.3817 GPRESSAVG: 4513600 -4.8549 1.1539 -42.6912 2.62497 33.6763 20.305 -44.2104 22.7801 -39.9608 TIMING: 4513600 CPU: 13065.7, 0.00288004/step Wall: 13065.7, 0.00288004/step, 0.389126 hours remaining, 210.417969 MB of memory in use. ENERGY: 4513600 752.1759 2089.0054 1947.7840 121.5445 -206331.2409 17866.8636 0.0000 0.0000 34117.1241 -149436.7434 297.9533 -183553.8676 -149338.0305 298.5137 -119.7563 -88.1654 558099.0817 -3.5704 -3.7131 PRESSURE: 4513800 -105.952 22.8085 -53.2659 22.8082 99.1017 -67.7922 -53.2662 -67.7934 -147.834 GPRESSURE: 4513800 -162.87 67.3577 -165.074 25.4959 219.817 -37.9127 -24.4177 -96.3288 -123.571 PRESSAVG: 4513800 -70.6697 26.192 -50.6535 26.1921 63.3346 -48.0561 -50.6536 -48.0561 -38.6739 GPRESSAVG: 4513800 -70.6987 27.8875 -50.761 26.8284 63.8577 -49.7633 -51.6169 -49.4524 -38.9573 TIMING: 4513800 CPU: 13066.3, 0.00287721/step Wall: 13066.3, 0.00287721/step, 0.388583 hours remaining, 210.417969 MB of memory in use. ENERGY: 4513800 746.7378 2107.0328 1959.5977 111.2569 -206183.4142 17825.7637 0.0000 0.0000 34021.1401 -149411.8852 297.1151 -183433.0253 -149320.5680 297.9022 -51.5617 -22.2080 557727.0551 -15.3364 -15.2661 PRESSURE: 4514000 26.1266 -110.6 -22.9372 -110.599 -81.3749 -108.102 -22.9362 -108.101 -181.817 GPRESSURE: 4514000 48.5906 -33.0389 -31.2281 -178.486 -35.3622 -95.6017 56.1171 -146.076 -136.597 PRESSAVG: 4514000 20.57 -44.3031 24.4929 -44.3031 29.3291 -28.9059 24.4929 -28.9058 -58.9369 GPRESSAVG: 4514000 20.3061 -44.0985 21.7028 -45.3668 29.325 -27.5641 26.1999 -29.272 -58.5143 TIMING: 4514000 CPU: 13066.9, 0.00289339/step Wall: 13066.9, 0.00289339/step, 0.390608 hours remaining, 210.417969 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: 4514000 749.6034 2061.7935 1948.5951 103.5725 -206276.6828 17904.1953 0.0000 0.0000 34263.4601 -149245.4629 299.2313 -183508.9230 -149144.6930 299.0246 -79.0218 -41.1230 559179.2021 -3.0126 -2.9611 PRESSURE: 4514200 -171.43 121.106 -37.9855 121.106 179.265 -118.088 -37.9846 -118.088 191.469 GPRESSURE: 4514200 -130.469 97.7401 -72.6652 91.2178 216.724 -92.9269 14.2191 -132.239 223.433 PRESSAVG: 4514200 107.346 25.6179 -16.4508 25.6179 -37.8331 -81.4726 -16.4507 -81.4725 -35.1088 GPRESSAVG: 4514200 107.969 26.2336 -14.3218 28.6202 -37.0905 -81.6956 -16.0568 -80.0511 -35.7503 TIMING: 4514200 CPU: 13067.4, 0.00288749/step Wall: 13067.4, 0.0028875/step, 0.389651 hours remaining, 210.417969 MB of memory in use. ENERGY: 4514200 739.1342 2075.3025 1938.6723 123.4881 -206507.3672 18175.2147 0.0000 0.0000 34066.3815 -149389.1740 297.5102 -183455.5554 -149296.9401 298.5465 66.4348 103.2294 559446.8967 11.4681 11.7095 PRESSURE: 4514400 -29.8178 192.264 41.7061 192.263 64.4193 -318.323 41.7063 -318.322 141.959 GPRESSURE: 4514400 33.7979 182.946 108.585 211.392 118.069 -265.719 6.38629 -303.52 115.531 PRESSAVG: 4514400 -28.2443 -49.5993 23.5502 -49.5994 17.5774 -11.5738 23.5502 -11.5738 2.02584 GPRESSAVG: 4514400 -28.5469 -50.0183 23.9461 -50.6464 16.9238 -9.44907 24.132 -11.306 2.99258 TIMING: 4514400 CPU: 13068, 0.00287731/step Wall: 13068, 0.00287731/step, 0.388117 hours remaining, 210.417969 MB of memory in use. ENERGY: 4514400 722.7473 2089.7889 1963.3893 125.2152 -206444.0051 17893.6836 0.0000 0.0000 34404.0057 -149245.1752 300.4587 -183649.1809 -149148.5709 298.8605 58.8534 89.1327 557994.2684 -2.8804 -2.8768 PRESSURE: 4514600 95.7472 -31.5804 103.257 -31.5806 -126.361 -54.0926 103.259 -54.0929 -136.105 GPRESSURE: 4514600 104.864 -7.02557 99.7756 -68.335 -124.932 -31.2287 70.5637 12.9082 -46.4055 PRESSAVG: 4514600 -20.3409 34.444 -2.69744 34.4439 -22.9874 -48.2722 -2.69727 -48.2723 -1.83578 GPRESSAVG: 4514600 -20.1532 32.588 -2.68477 35.8418 -22.1116 -49.5674 -3.05936 -48.8477 -2.799 TIMING: 4514600 CPU: 13068.6, 0.00289856/step Wall: 13068.6, 0.00289856/step, 0.390823 hours remaining, 210.417969 MB of memory in use. ENERGY: 4514600 753.0984 2056.2484 1953.9993 120.1870 -205983.6484 17701.7954 0.0000 0.0000 34312.8929 -149085.4270 299.6630 -183398.3199 -148999.3857 299.1131 -55.5730 -22.1580 558129.9851 -15.0547 -15.0213 PRESSURE: 4514800 -74.9886 -5.11957 -70.3202 -5.11919 -88.3256 150.877 -70.3206 150.879 -112.687 GPRESSURE: 4514800 -13.6794 70.0841 -129.944 5.84125 -65.8245 150.634 -81.6302 168.343 -99.4545 PRESSAVG: 4514800 37.1948 -24.0549 -30.7881 -24.0549 2.96694 -18.0688 -30.7881 -18.0688 -4.36359 GPRESSAVG: 4514800 37.4727 -22.5456 -30.7088 -25.2658 1.57398 -17.4866 -30.3177 -18.2236 -3.88323 TIMING: 4514800 CPU: 13069.2, 0.00288675/step Wall: 13069.2, 0.00288675/step, 0.38907 hours remaining, 210.417969 MB of memory in use. ENERGY: 4514800 772.8631 2093.9133 1950.7708 122.0263 -206039.5205 17811.5502 0.0000 0.0000 34188.8923 -149099.5044 298.5801 -183288.3967 -148998.5594 299.9183 -92.0004 -59.6528 558008.6576 11.9327 11.7212 PRESSURE: 4515000 -151.797 -134.517 -71.7036 -134.517 -261.155 -74.6466 -71.7059 -74.6453 202.558 GPRESSURE: 4515000 -82.2074 -159.769 -4.69408 -110.374 -218.686 -28.5982 -194.566 -47.2964 189.538 PRESSAVG: 4515000 24.8872 -7.49167 -67.9312 -7.49163 -20.0136 -4.19519 -67.9311 -4.19521 1.66252 GPRESSAVG: 4515000 24.8035 -7.36245 -67.898 -7.74772 -18.8377 -5.31455 -68.3686 -3.33797 0.819236 TIMING: 4515000 CPU: 13069.7, 0.00289289/step Wall: 13069.7, 0.00289289/step, 0.389737 hours remaining, 210.417969 MB of memory in use. ENERGY: 4515000 769.1408 2086.6295 1937.4664 123.1892 -206010.3966 17567.2362 0.0000 0.0000 34437.1967 -149089.5377 300.7486 -183526.7344 -149000.4416 299.6234 -70.1313 -37.1188 556909.8009 2.1787 2.2617 PRESSURE: 4515200 49.7018 129.514 -66.9818 129.516 -52.9057 -7.22455 -66.9798 -7.22574 -77.5714 GPRESSURE: 4515200 63.5538 76.7153 -27.9308 73.9971 40.5257 -16.6113 -3.81618 113.079 -83.9627 PRESSAVG: 4515200 3.2292 -31.0521 -7.74918 -31.0522 -35.0979 -20.1443 -7.74915 -20.1443 37.7848 GPRESSAVG: 4515200 3.66751 -29.7475 -6.04578 -29.4778 -35.158 -19.6093 -9.02215 -21.9821 37.0246 TIMING: 4515200 CPU: 13070.3, 0.00290352/step Wall: 13070.3, 0.00290352/step, 0.391008 hours remaining, 210.417969 MB of memory in use. ENERGY: 4515200 757.1293 2134.8084 1950.4840 111.4286 -206262.4801 17921.8395 0.0000 0.0000 34155.1105 -149231.6800 298.2851 -183386.7904 -149134.2203 299.9439 -26.9251 6.7056 558986.3882 1.9720 1.8447 PRESSURE: 4515400 90.9881 -3.64587 184.092 -3.64562 -161.422 -27.3299 184.093 -27.3295 246.241 GPRESSURE: 4515400 121.344 -10.9811 228.875 -84.3093 -119.364 -30.3432 200.979 -27.4414 272.747 PRESSAVG: 4515400 13.0915 5.75688 26.9343 5.75693 -32.431 -4.79897 26.9343 -4.79894 24.7981 GPRESSAVG: 4515400 12.7215 4.87815 23.7138 2.38777 -32.8976 -3.95782 29.2171 -4.68487 26.1314 TIMING: 4515400 CPU: 13070.9, 0.00289625/step Wall: 13070.9, 0.00289625/step, 0.389867 hours remaining, 210.417969 MB of memory in use. ENERGY: 4515400 793.0173 2083.4741 1957.8142 119.6652 -206452.0424 17997.8446 0.0000 0.0000 34421.8154 -149078.4116 300.6143 -183500.2271 -148977.7580 300.0258 58.6024 91.5756 556763.0434 1.8196 1.9851 PRESSURE: 4515600 35.7022 29.8584 119.315 29.8577 -108.67 19.6048 119.315 19.6052 56.8272 GPRESSURE: 4515600 62.5869 35.3226 94.309 20.6492 -89.0823 36.4397 141.178 35.2074 115.719 PRESSAVG: 4515600 -39.4458 31.0354 91.2213 31.0354 -1.96106 -24.3947 91.2214 -24.3949 74.8341 GPRESSAVG: 4515600 -38.992 29.2385 93.3797 34.801 -1.03701 -24.0491 89.9102 -22.2559 73.1792 TIMING: 4515600 CPU: 13071.5, 0.00288622/step Wall: 13071.5, 0.00288622/step, 0.388356 hours remaining, 210.417969 MB of memory in use. ENERGY: 4515600 759.0466 2061.6132 1945.3058 120.7378 -206130.7138 17884.2955 0.0000 0.0000 34283.3357 -149076.3790 299.4049 -183359.7148 -148989.7983 300.3976 -5.3803 29.7411 557759.3290 11.1424 11.0500 PRESSURE: 4515800 112.536 21.5075 -57.861 21.508 -96.359 64.1645 -57.8616 64.1649 -15.2814 GPRESSURE: 4515800 125.549 -11.8462 -16.8548 38.0688 -50.2482 -27.8831 -60.4294 22.9224 33.6418 PRESSAVG: 4515800 53.933 26.6066 4.5733 26.6065 -55.4829 13.4291 4.57328 13.4291 8.86432 GPRESSAVG: 4515800 54.4115 29.1784 6.92844 26.6739 -56.1276 12.5385 2.74688 12.4314 8.93361 TIMING: 4515800 CPU: 13072.1, 0.002883/step Wall: 13072.1, 0.002883/step, 0.387764 hours remaining, 210.417969 MB of memory in use. ENERGY: 4515800 761.6977 2135.5175 1953.1841 122.2094 -206104.9164 17790.0343 0.0000 0.0000 34184.0036 -149158.2698 298.5374 -183342.2734 -149067.2880 300.0432 0.2985 36.3144 556949.4212 2.4381 2.4058 PRESSURE: 4516000 66.2176 69.9767 -77.7752 69.9771 -74.1156 -77.3225 -77.776 -77.324 155.733 GPRESSURE: 4516000 118.773 100.699 -49.3729 112.792 -30.4091 -105.728 -86.6455 21.7581 157.463 PRESSAVG: 4516000 2.66729 23.9011 -4.30017 23.901 -22.654 -43.6922 -4.30014 -43.6923 19.8943 GPRESSAVG: 4516000 2.88122 23.6721 -6.00924 23.1676 -23.156 -43.4583 -2.13486 -42.9488 20.1037 TIMING: 4516000 CPU: 13072.6, 0.00288113/step Wall: 13072.6, 0.00288113/step, 0.387352 hours remaining, 210.417969 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: 4516000 754.0167 2100.1238 1947.4303 106.1381 -206284.8678 17992.8867 0.0000 0.0000 34282.1214 -149102.1508 299.3943 -183384.2722 -149005.4299 299.7864 49.2782 81.9422 556701.3442 -0.0308 -0.0570 PRESSURE: 4516200 -49.2162 211.528 -22.5844 211.529 -137.437 103.081 -22.584 103.08 66.8972 GPRESSURE: 4516200 -63.7431 184.719 -66.5649 210.136 -55.9556 68.7257 -23.5779 149.35 91.9838 PRESSAVG: 4516200 10.1101 55.6429 -25.5998 55.6429 -136.939 -15.2445 -25.5998 -15.2446 147.716 GPRESSAVG: 4516200 9.58925 55.4593 -24.0859 54.1628 -135.947 -15.9366 -25.6935 -15.7869 147.406 TIMING: 4516200 CPU: 13073.2, 0.00290404/step Wall: 13073.2, 0.00290404/step, 0.39027 hours remaining, 210.417969 MB of memory in use. ENERGY: 4516200 737.2584 2076.2020 1985.0429 112.8686 -206036.2863 17609.9777 0.0000 0.0000 34442.3693 -149072.5674 300.7938 -183514.9366 -148974.4507 299.7108 -39.9186 -9.2383 557134.4020 6.9626 7.0160 LDB: ============= START OF LOAD BALANCING ============== 13076.6 LDB: ============== END OF LOAD BALANCING =============== 13076.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13076.6 LDB: ============= START OF LOAD BALANCING ============== 13076.9 LDB: Largest compute 4773 load 0.025450 is 21.6% of average load 0.118009 LDB: Average compute 0.001728 is 1.5% of average load 0.118009 LDB: TIME 13076.9 LOAD: AVG 0.118009 MAX 0.177626 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.379 MB LDB: TIME 13076.9 LOAD: AVG 0.118009 MAX 0.177626 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.582 MB LDB: TIME 13076.9 LOAD: AVG 0.118009 MAX 0.177626 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13076.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13076.9 PRESSURE: 4516400 -113.294 198.001 -51.1253 198.001 -164.584 139.147 -51.126 139.146 -209.218 GPRESSURE: 4516400 -122.359 104.066 -107.717 218.879 -174.521 176.049 -86.0485 85.8228 -100.242 PRESSAVG: 4516400 -40.2007 -6.96663 -15.2597 -6.9666 -12.96 10.416 -15.2597 10.4159 56.2377 GPRESSAVG: 4516400 -40.212 -7.37771 -17.9494 -5.38597 -13.371 12.0252 -16.4859 10.7871 56.676 TIMING: 4516400 CPU: 13073.8, 0.00295917/step Wall: 13073.8, 0.00295917/step, 0.397515 hours remaining, 210.355469 MB of memory in use. ENERGY: 4516400 793.9679 2046.7963 1967.6441 107.7556 -206083.5391 17703.9837 0.0000 0.0000 34387.8305 -149075.5610 300.3175 -183463.3915 -148980.4369 299.7383 -162.3654 -132.3740 557552.4729 1.0257 1.0310 PRESSURE: 4516600 -115.241 16.207 95.8354 16.2074 -82.2454 -21.4688 95.8359 -21.4669 118.025 GPRESSURE: 4516600 -153.971 -4.93515 147.37 24.7546 16.7062 -8.61257 53.3526 25.2376 141.966 PRESSAVG: 4516600 -2.37277 -8.39685 -59.0816 -8.39686 10.3538 35.509 -59.0815 35.509 7.72166 GPRESSAVG: 4516600 -3.36211 -10.9199 -57.772 -7.23444 10.7645 35.401 -58.3096 35.7236 8.89601 TIMING: 4516600 CPU: 13074.4, 0.00287235/step Wall: 13074.4, 0.00287235/step, 0.385693 hours remaining, 210.558594 MB of memory in use. ENERGY: 4516600 745.6707 2082.8641 1942.0022 102.0530 -205885.6359 17591.8186 0.0000 0.0000 34213.8625 -149207.3649 298.7982 -183421.2273 -149110.5426 299.3126 -26.4871 1.5670 557841.8097 5.2342 5.4328 PRESSURE: 4516800 -48.5136 32.6406 -115.01 32.6399 -42.9031 73.1038 -115.009 73.104 123.18 GPRESSURE: 4516800 8.9682 43.2938 -96.2914 138.81 -32.1433 6.78505 -94.8741 105.993 165.609 PRESSAVG: 4516800 35.2605 -29.9242 -13.9345 -29.9241 -56.7616 -5.84594 -13.9345 -5.846 26.2277 GPRESSAVG: 4516800 36.9826 -26.0359 -12.3359 -31.0195 -57.9696 -5.99383 -13.3873 -7.63206 25.7463 TIMING: 4516800 CPU: 13075, 0.00288067/step Wall: 13075, 0.00288067/step, 0.38665 hours remaining, 210.558594 MB of memory in use. ENERGY: 4516800 753.4078 1998.7523 1941.6116 108.6269 -206521.0380 17943.6038 0.0000 0.0000 34499.8726 -149275.1631 301.2960 -183775.0357 -149177.5188 299.8239 10.5879 47.4781 557431.4737 1.5755 1.5864 PRESSURE: 4517000 -27.9896 107.727 -41.3447 107.727 -254.633 -79.7249 -41.345 -79.7249 -231.202 GPRESSURE: 4517000 -57.6506 74.6244 -60.4723 45.3694 -165.306 -89.2603 -52.0102 -82.7757 -189.006 PRESSAVG: 4517000 -26.67 31.3591 18.557 31.359 -67.4927 46.0634 18.557 46.0634 85.8601 GPRESSAVG: 4517000 -28.0498 31.9066 17.3182 30.9365 -66.3419 45.1575 18.3568 48.0801 85.9121 TIMING: 4517000 CPU: 13075.5, 0.00292163/step Wall: 13075.5, 0.00292163/step, 0.391985 hours remaining, 210.558594 MB of memory in use. ENERGY: 4517000 772.8222 2069.0392 1968.1282 113.4062 -205846.1822 17521.8787 0.0000 0.0000 34199.7624 -149201.1453 298.6750 -183400.9077 -149107.6984 299.9915 -171.2747 -137.3210 556723.8606 -2.7675 -2.8265 PRESSURE: 4517200 -204.364 -21.7882 25.3125 -21.7877 -108.9 -166.127 25.3116 -166.128 58.5309 GPRESSURE: 4517200 -126.928 -81.5392 71.6644 53.713 -121.043 -92.203 66.7468 -214.395 99.5172 PRESSAVG: 4517200 -55.7342 -40.0849 -37.48 -40.0849 -14.0363 36.7251 -37.48 36.7252 102.024 GPRESSAVG: 4517200 -53.9647 -40.5332 -38.9956 -40.3618 -14.4921 40.0265 -36.7821 33.0939 100.753 TIMING: 4517200 CPU: 13076.1, 0.00290247/step Wall: 13076.1, 0.00290247/step, 0.389254 hours remaining, 210.558594 MB of memory in use. ENERGY: 4517200 722.0157 2071.9173 1943.0856 114.6482 -205886.4784 17646.9661 0.0000 0.0000 34327.4775 -149060.3680 299.7904 -183387.8455 -148957.3462 299.7785 -84.9109 -49.4846 558361.2833 10.7513 10.7654 PRESSURE: 4517400 -105.637 -166.013 -101.332 -166.012 -9.50287 31.3225 -101.332 31.3212 -103.858 GPRESSURE: 4517400 -49.6223 -109.268 -97.0167 -130.758 -33.359 45.9095 -140.669 66.4334 -33.4363 PRESSAVG: 4517400 -32.0828 -83.888 54.8448 -83.888 1.7607 33.4629 54.8447 33.463 12.5698 GPRESSAVG: 4517400 -33.8719 -84.1017 54.8146 -83.1831 1.82532 30.1411 53.2591 36.6759 13.9859 TIMING: 4517400 CPU: 13076.7, 0.00288623/step Wall: 13076.7, 0.00288623/step, 0.386916 hours remaining, 210.558594 MB of memory in use. ENERGY: 4517400 745.3928 2047.5458 1951.6558 133.5639 -206095.0540 17797.4512 0.0000 0.0000 34321.9897 -149097.4548 299.7425 -183419.4445 -149001.3071 299.7031 -72.9995 -38.8059 557859.4426 -5.9174 -6.0202 PRESSURE: 4517600 -12.336 86.3166 -94.8281 86.3149 -49.1313 83.3131 -94.8287 83.314 -40.1959 GPRESSURE: 4517600 6.90518 110.368 -94.337 22.2082 -19.6134 70.7676 -68.5293 45.155 1.30616 PRESSAVG: 4517600 32.8806 17.8392 -34.7567 17.8392 -55.1118 -5.42421 -34.7567 -5.42425 -0.242462 GPRESSAVG: 4517600 32.7638 18.5316 -34.6578 16.7609 -55.5042 -5.25832 -34.4077 -5.98475 0.769725 TIMING: 4517600 CPU: 13077.3, 0.00289746/step Wall: 13077.3, 0.00289746/step, 0.388259 hours remaining, 210.558594 MB of memory in use. ENERGY: 4517600 740.3467 2091.8186 1933.8389 131.7391 -206043.9942 17786.7911 0.0000 0.0000 34128.3135 -149231.1463 298.0511 -183359.4599 -149130.9150 298.7415 -33.8877 -3.8007 557880.5597 -7.4912 -7.3236 PRESSURE: 4517800 -2.08044 -15.7953 -96.5386 -15.7948 -197.006 -6.26677 -96.5386 -6.26478 -243.859 GPRESSURE: 4517800 70.725 -140.379 -115.6 48.6269 -208.575 27.8817 59.6604 19.7647 -211.299 PRESSAVG: 4517800 12.6887 -3.32903 -38.8218 -3.32903 -28.422 -22.3722 -38.8218 -22.3721 42.9967 GPRESSAVG: 4517800 14.0681 -4.32828 -37.2958 -2.38088 -28.5325 -22.3269 -38.2462 -22.1332 41.6352 TIMING: 4517800 CPU: 13077.9, 0.00289611/step Wall: 13077.9, 0.00289611/step, 0.387918 hours remaining, 210.558594 MB of memory in use. ENERGY: 4517800 768.9330 2085.5413 1941.3829 102.9531 -205975.7168 17556.2203 0.0000 0.0000 34298.0934 -149222.5928 299.5338 -183520.6862 -149128.6252 299.5244 -147.6483 -116.3831 556976.8730 9.0878 9.0569 PRESSURE: 4518000 195.192 164.464 42.6491 164.463 -179.565 -60.468 42.6494 -60.468 33.6005 GPRESSURE: 4518000 229.648 155.849 -19.1255 209.661 -151.35 -97.7238 85.2483 -113.856 63.4809 PRESSAVG: 4518000 11.8238 -15.6251 6.30825 -15.6251 10.9049 12.3941 6.30822 12.3943 -50.3127 GPRESSAVG: 4518000 12.3238 -14.7448 4.54121 -14.8172 10.3028 12.3645 6.40043 11.5386 -50.701 TIMING: 4518000 CPU: 13078.4, 0.00290785/step Wall: 13078.4, 0.00290785/step, 0.389328 hours remaining, 210.558594 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: 4518000 724.3207 2122.1179 1961.1285 122.5619 -206134.6703 17758.7368 0.0000 0.0000 34184.4424 -149261.3621 298.5412 -183445.8045 -149168.8768 299.6885 16.4090 47.2597 556576.9561 -9.1947 -9.3581 PRESSURE: 4518200 211.026 -112.826 -22.7168 -112.826 -33.7058 -64.422 -22.7157 -64.4217 140.5 GPRESSURE: 4518200 244.487 -133.889 -51.8256 -165.069 -6.49002 -151.24 -15.4765 -12.4958 184.85 PRESSAVG: 4518200 103.131 15.5287 40.8106 15.5288 -64.1492 -41.6021 40.8105 -41.6021 -46.0383 GPRESSAVG: 4518200 102.749 14.7055 41.0262 13.8175 -63.6653 -42.139 41.1062 -41.638 -45.4124 TIMING: 4518200 CPU: 13079, 0.00290927/step Wall: 13079, 0.00290927/step, 0.389358 hours remaining, 210.558594 MB of memory in use. ENERGY: 4518200 729.2150 2021.0339 1950.7090 116.1122 -206573.6369 18096.8784 0.0000 0.0000 34356.0688 -149303.6197 300.0401 -183659.6884 -149201.4403 298.8604 105.9403 140.9490 556440.5390 -2.3523 -2.1095 PRESSURE: 4518400 139.591 -185.904 -14.8371 -185.903 127.5 -169.897 -14.8356 -169.897 90.5036 GPRESSURE: 4518400 141.496 -264.596 -49.9757 -189.407 147.364 -194.241 -19.5131 -103.987 151.01 PRESSAVG: 4518400 86.2612 -2.1179 4.59021 -2.11797 -51.9108 -56.7385 4.59019 -56.7385 -14.581 GPRESSAVG: 4518400 86.1623 -2.12809 5.0641 -1.72388 -52.5811 -56.6857 2.88903 -56.8762 -13.6724 TIMING: 4518400 CPU: 13079.6, 0.00291859/step Wall: 13079.6, 0.00291859/step, 0.390442 hours remaining, 210.558594 MB of memory in use. ENERGY: 4518400 793.3789 2034.4153 1931.8240 123.0878 -206693.2461 18148.6061 0.0000 0.0000 34213.5001 -149448.4339 298.7950 -183661.9340 -149355.2581 298.6415 119.1982 146.6232 557802.8409 6.5898 6.6363 PRESSURE: 4518600 88.1939 -182.437 61.5012 -182.438 -180.708 -102.483 61.5014 -102.483 -190.932 GPRESSURE: 4518600 117.954 -39.0657 35.4182 -279.433 -121.938 -59.8456 62.7782 -140.4 -179.535 PRESSAVG: 4518600 68.4114 -28.6158 4.15492 -28.6159 -7.39217 -60.4746 4.1549 -60.4748 -66.6733 GPRESSAVG: 4518600 68.5778 -28.0459 4.64722 -29.6827 -6.90532 -59.6187 4.91056 -59.8227 -68.0375 TIMING: 4518600 CPU: 13080.2, 0.00289467/step Wall: 13080.2, 0.00289467/step, 0.387081 hours remaining, 210.558594 MB of memory in use. ENERGY: 4518600 737.3646 2089.5040 1934.8548 101.8872 -206049.1901 17669.9080 0.0000 0.0000 34193.3082 -149322.3633 298.6187 -183515.6715 -149229.8955 299.2531 -94.4818 -61.1731 557826.8434 -1.8847 -2.1217 PRESSURE: 4518800 -106.998 53.29 155.878 53.2901 -67.7787 39.289 155.877 39.287 -103.315 GPRESSURE: 4518800 -78.036 25.275 233.927 84.0389 -12.1312 7.12962 134.643 50.9846 -93.7575 PRESSAVG: 4518800 6.35738 -69.5564 35.5604 -69.5565 25.1286 2.25217 35.5605 2.25229 -30.8883 GPRESSAVG: 4518800 5.57065 -71.8763 33.278 -68.957 25.7763 2.05751 35.7293 -0.0704983 -30.1544 TIMING: 4518800 CPU: 13080.8, 0.00290985/step Wall: 13080.8, 0.00290985/step, 0.388949 hours remaining, 210.558594 MB of memory in use. ENERGY: 4518800 755.9168 2106.6066 1945.9317 106.6417 -206051.1942 17658.4297 0.0000 0.0000 34203.4713 -149274.1964 298.7074 -183477.6677 -149172.3601 299.2955 -92.6972 -61.3082 557208.1573 0.1992 0.3975 PRESSURE: 4519000 153.24 92.3202 105.908 92.3219 286.92 -139.906 105.908 -139.907 -381.274 GPRESSURE: 4519000 175.379 137.536 186.507 72.3034 272.956 -159.874 67.0284 -167.264 -291.492 PRESSAVG: 4519000 -14.7537 8.48035 34.6521 8.48038 24.5052 8.72256 34.6522 8.72254 -21.1089 GPRESSAVG: 4519000 -14.2492 10.4238 36.5507 8.39718 24.5091 7.57574 32.5743 10.1498 -21.6643 TIMING: 4519000 CPU: 13081.3, 0.00289332/step Wall: 13081.3, 0.00289332/step, 0.38658 hours remaining, 210.558594 MB of memory in use. ENERGY: 4519000 746.4554 2141.9839 1944.8836 113.1762 -205852.7211 17758.4368 0.0000 0.0000 33991.8904 -149155.8949 296.8596 -183147.7852 -149061.4603 299.2675 19.6286 52.2812 557443.6552 -3.7858 -3.8015 PRESSURE: 4519200 -141.356 -61.0401 15.13 -61.0407 -161.102 -48.4667 15.1303 -48.4699 -109.472 GPRESSURE: 4519200 -126.446 -45.1102 -0.36698 -80.1534 -120.698 43.8503 48.3488 -158.375 -75.6257 PRESSAVG: 4519200 -20.3835 -26.7012 -33.5255 -26.7012 -22.0605 37.4015 -33.5254 37.4014 73.0856 GPRESSAVG: 4519200 -20.6162 -27.074 -32.8808 -28.1844 -22.0053 39.509 -32.0078 35.5829 73.1645 TIMING: 4519200 CPU: 13081.9, 0.00290109/step Wall: 13081.9, 0.00290109/step, 0.387457 hours remaining, 210.558594 MB of memory in use. ENERGY: 4519200 760.8452 2108.5816 1942.6126 117.2138 -205953.1038 17647.2014 0.0000 0.0000 34220.9511 -149155.6980 298.8601 -183376.6491 -149064.4692 299.1684 -137.3097 -107.5899 556838.2616 10.2138 10.1810 PRESSURE: 4519400 -47.102 -25.3454 27.7597 -25.3452 -15.7109 40.1186 27.758 40.1193 42.1287 GPRESSURE: 4519400 22.24 -39.4198 6.7285 -33.3055 23.8137 -25.8009 60.7439 81.0043 19.8928 PRESSAVG: 4519400 -17.0612 -13.3037 16.3173 -13.3036 10.7191 -35.3591 16.3173 -35.3592 0.703492 GPRESSAVG: 4519400 -16.369 -13.1796 14.4126 -14.3837 9.91465 -35.7335 18.0095 -34.6637 0.826165 TIMING: 4519400 CPU: 13082.5, 0.00290032/step Wall: 13082.5, 0.00290032/step, 0.387192 hours remaining, 210.558594 MB of memory in use. ENERGY: 4519400 741.6144 2055.9071 1927.0658 106.3053 -206077.6358 17721.5800 0.0000 0.0000 34276.0683 -149249.0950 299.3414 -183525.1632 -149145.6580 300.0308 -6.8948 21.9822 556065.2468 -1.8795 -1.8760 PRESSURE: 4519600 203.745 55.8727 5.067 55.8722 157.473 -200.305 5.06673 -200.306 31.703 GPRESSURE: 4519600 293.679 86.5895 61.7022 104.208 192.358 -159.685 75.0485 -174.228 2.79995 PRESSAVG: 4519600 12.3862 41.987 5.84591 41.9871 52.9679 4.01904 5.84587 4.01903 -65.8335 GPRESSAVG: 4519600 11.9852 39.353 4.55367 45.5114 53.4302 6.16256 5.67579 4.32875 -66.156 TIMING: 4519600 CPU: 13083.1, 0.00287596/step Wall: 13083.1, 0.00287596/step, 0.383781 hours remaining, 210.558594 MB of memory in use. ENERGY: 4519600 752.9551 2037.5690 1958.4281 113.0491 -206412.2505 18018.2860 0.0000 0.0000 34151.7509 -149380.2123 298.2557 -183531.9632 -149292.6568 299.1709 130.9737 162.9457 555584.1828 -0.1598 -0.2468 PRESSURE: 4519800 -135.637 -69.5374 -61.3967 -69.5353 69.9682 29.8772 -61.3964 29.8763 -15.1714 GPRESSURE: 4519800 -79.8012 -29.4785 -3.94714 -118.753 56.8682 63.9795 -117.477 44.1952 43.8921 PRESSAVG: 4519800 22.6344 -1.43957 26.1869 -1.43954 93.691 -1.6992 26.1868 -1.69917 -104.423 GPRESSAVG: 4519800 22.9267 -1.07299 27.3564 -1.56448 93.048 -4.51007 24.8107 -3.2254 -103.637 TIMING: 4519800 CPU: 13083.7, 0.00287263/step Wall: 13083.7, 0.00287263/step, 0.383177 hours remaining, 210.558594 MB of memory in use. ENERGY: 4519800 773.6953 2134.5697 1977.0780 106.9073 -206372.5668 17932.5058 0.0000 0.0000 34174.4876 -149273.3231 298.4543 -183447.8107 -149178.2087 299.6806 -26.9468 6.9863 555257.5780 3.9674 4.1125 PRESSURE: 4520000 -320.913 -151.063 -44.7934 -151.063 67.3977 64.4222 -44.7928 64.4237 -9.59417 GPRESSURE: 4520000 -310.426 -228.408 -46.1977 -57.7271 108.055 38.9556 -58.7596 100.775 44.3454 PRESSAVG: 4520000 14.0268 -37.1272 47.1077 -37.1273 22.0324 65.0636 47.1077 65.0636 -21.0657 GPRESSAVG: 4520000 13.4723 -38.2369 47.1646 -37.3361 22.8449 65.0419 47.7938 67.7023 -21.7615 TIMING: 4520000 CPU: 13084.2, 0.00287682/step Wall: 13084.2, 0.00287682/step, 0.383576 hours remaining, 210.558594 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: 4520000 776.3181 2146.9694 1931.9135 105.2829 -205817.1005 17541.9294 0.0000 0.0000 34120.5717 -149194.1155 297.9834 -183314.6871 -149094.4006 299.7793 -87.7031 -52.6753 556941.2566 4.9978 4.8519 PRESSURE: 4520200 38.2297 -101.132 -22.5228 -101.133 -62.001 35.8142 -22.5218 35.813 55.9364 GPRESSURE: 4520200 34.8462 -75.6608 -89.0693 -99.2558 17.5529 37.647 -20.7761 59.6337 69.9517 PRESSAVG: 4520200 -32.9531 -30.6751 21.0187 -30.6752 43.7467 -14.2249 21.0187 -14.2249 -8.37919 GPRESSAVG: 4520200 -32.6833 -29.9306 20.7744 -32.0969 43.8606 -12.6975 19.6763 -14.8233 -8.31319 TIMING: 4520200 CPU: 13084.8, 0.00286442/step Wall: 13084.8, 0.00286442/step, 0.381763 hours remaining, 210.558594 MB of memory in use. ENERGY: 4520200 755.2006 2081.3682 1933.2871 113.2405 -206391.1222 17934.0381 0.0000 0.0000 34180.0226 -149393.9651 298.5026 -183573.9877 -149299.6103 299.1095 10.7217 40.7836 557103.8963 0.8048 0.9547 LDB: ============= START OF LOAD BALANCING ============== 13088.2 LDB: ============== END OF LOAD BALANCING =============== 13088.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13088.2 LDB: ============= START OF LOAD BALANCING ============== 13088.5 LDB: Largest compute 4772 load 0.026580 is 22.5% of average load 0.118014 LDB: Average compute 0.001731 is 1.5% of average load 0.118014 LDB: TIME 13088.5 LOAD: AVG 0.118014 MAX 0.180177 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.332 MB LDB: TIME 13088.5 LOAD: AVG 0.118014 MAX 0.180177 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.332 MB LDB: TIME 13088.5 LOAD: AVG 0.118014 MAX 0.180177 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.332 MB LDB: ============== END OF LOAD BALANCING =============== 13088.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13088.5 PRESSURE: 4520400 -123.457 -17.9377 -18.4606 -17.9389 7.25902 -3.89112 -18.4624 -3.8908 -50.3787 GPRESSURE: 4520400 -78.2124 -58.172 -19.0063 36.6655 29.6921 -29.6684 -36.2212 -50.9999 -5.49863 PRESSAVG: 4520400 -33.3176 0.0303961 -41.565 0.0303351 -40.7449 -44.1196 -41.5651 -44.1197 58.0385 GPRESSAVG: 4520400 -32.9994 0.267471 -41.2731 2.10386 -41.5519 -46.6608 -42.9843 -45.4615 58.0768 TIMING: 4520400 CPU: 13085.4, 0.00296243/step Wall: 13085.4, 0.00296243/step, 0.394662 hours remaining, 210.992188 MB of memory in use. ENERGY: 4520400 721.1538 2135.7180 1922.9547 103.8689 -206474.5282 17780.1045 0.0000 0.0000 34285.7402 -149524.9881 299.4259 -183810.7283 -149424.9964 299.2300 -55.5254 -18.0063 558903.5138 -5.3413 -5.4915 PRESSURE: 4520600 310.571 136.898 -12.4253 136.897 -32.0427 -53.4721 -12.4262 -53.4705 198.356 GPRESSURE: 4520600 320.077 115.661 53.373 211.016 18.7415 5.199 -19.9973 -32.8304 223.454 PRESSAVG: 4520600 -3.0098 49.1737 -6.45863 49.1737 41.8238 0.410941 -6.45872 0.410975 -38.0098 GPRESSAVG: 4520600 -4.54912 48.3247 -5.27308 50.7243 42.5609 -0.0789344 -4.05042 1.58277 -37.737 TIMING: 4520600 CPU: 13086, 0.00287874/step Wall: 13086, 0.00287874/step, 0.383352 hours remaining, 210.992188 MB of memory in use. ENERGY: 4520600 706.8757 2149.0501 1922.7689 106.9753 -206765.1790 18073.7497 0.0000 0.0000 34316.2048 -149489.5545 299.6920 -183805.7593 -149391.8653 298.8745 158.9615 187.4242 556571.0523 0.2681 0.0916 PRESSURE: 4520800 -98.7628 -28.0812 15.6455 -28.0813 49.8439 -18.3134 15.6444 -18.3142 45.6701 GPRESSURE: 4520800 -53.3717 -102.337 -53.4051 79.6593 31.5194 2.66594 34.2884 -43.1238 116.438 PRESSAVG: 4520800 -35.2926 14.1994 4.22464 14.1993 44.2843 0.390612 4.22463 0.390602 -24.2124 GPRESSAVG: 4520800 -35.5806 15.0605 4.54716 13.0383 43.2581 2.99688 1.30347 -0.36274 -23.1954 TIMING: 4520800 CPU: 13086.6, 0.00289053/step Wall: 13086.6, 0.00289053/step, 0.384762 hours remaining, 210.992188 MB of memory in use. ENERGY: 4520800 726.3951 2173.9823 1922.5658 111.8943 -206360.6000 17740.1786 0.0000 0.0000 34326.7062 -149358.8777 299.7837 -183685.5838 -149258.7696 298.7767 -1.0829 31.5287 556366.1533 -5.0736 -5.1726 PRESSURE: 4521000 115.094 12.6537 -136.733 12.6533 4.8159 1.77039 -136.733 1.77078 -437.679 GPRESSURE: 4521000 139.938 -3.73438 -56.3517 55.9081 12.7651 0.341624 -175.738 30.6286 -367.069 PRESSAVG: 4521000 117.92 37.0022 26.726 37.0021 4.11871 30.5615 26.7259 30.5615 -85.0333 GPRESSAVG: 4521000 119.068 34.3039 27.6257 39.0283 4.93371 30.3699 27.0046 31.2542 -87.1209 TIMING: 4521000 CPU: 13087.1, 0.00289749/step Wall: 13087.1, 0.00289749/step, 0.385528 hours remaining, 210.992188 MB of memory in use. ENERGY: 4521000 744.4648 2057.4088 1965.4963 124.7572 -206085.3714 17682.7162 0.0000 0.0000 34171.9803 -149338.5479 298.4324 -183510.5282 -149232.2185 298.6813 -105.9232 -71.4550 557019.5524 12.3350 12.2936 PRESSURE: 4521200 -230.394 8.55517 -178.554 8.55543 160.419 -48.4803 -178.554 -48.4778 -18.4324 GPRESSURE: 4521200 -159.914 -62.5577 -130.249 18.9539 169.091 -41.1421 -146.491 -114.293 12.2681 PRESSAVG: 4521200 57.3194 4.92702 -21.5261 4.9271 -14.1926 -30.6465 -21.5261 -30.6464 -79.2579 GPRESSAVG: 4521200 57.1778 8.63399 -23.7146 3.40518 -13.6644 -30.8064 -20.8112 -31.0097 -79.4899 TIMING: 4521200 CPU: 13087.7, 0.00289494/step Wall: 13087.7, 0.00289494/step, 0.385028 hours remaining, 210.992188 MB of memory in use. ENERGY: 4521200 727.4042 2056.3212 1936.4141 99.9835 -206159.5050 17779.9229 0.0000 0.0000 34341.3841 -149218.0750 299.9118 -183559.4591 -149123.5799 299.4382 -29.4689 7.1483 559080.0454 -12.0437 -11.9921 PRESSURE: 4521400 27.4059 -243.865 -95.4467 -243.865 -39.5049 -0.862217 -95.4462 -0.86199 62.6309 GPRESSURE: 4521400 33.3191 -268.174 -98.819 -196.855 43.6176 -77.8826 -23.3636 -14.6934 69.6295 PRESSAVG: 4521400 33.0913 12.6726 -64.7621 12.6727 -24.6936 0.150627 -64.7621 0.150576 -38.8658 GPRESSAVG: 4521400 32.4079 12.0205 -65.2279 12.0623 -24.909 -0.253248 -63.6039 -1.80608 -37.757 TIMING: 4521400 CPU: 13088.3, 0.00289418/step Wall: 13088.3, 0.00289418/step, 0.384765 hours remaining, 210.992188 MB of memory in use. ENERGY: 4521400 720.2164 2088.3740 1928.8709 115.7265 -206004.4694 17708.3639 0.0000 0.0000 34125.7514 -149317.1663 298.0287 -183442.9176 -149230.3853 299.3726 16.8440 48.8554 557014.2743 -10.1560 -10.0861 PRESSURE: 4521600 -265.104 26.1636 -64.2843 26.1624 -310.375 4.32059 -64.2851 4.32105 -48.6015 GPRESSURE: 4521600 -203.883 8.44308 -65.9591 -23.5147 -235.78 49.6767 -129.358 -5.29734 -73.6236 PRESSAVG: 4521600 -15.9685 -79.4266 -15.62 -79.4265 8.9608 10.6272 -15.6201 10.6271 31.0262 GPRESSAVG: 4521600 -15.7078 -79.912 -12.4541 -80.9584 7.50413 11.1212 -19.2323 11.1331 31.6219 TIMING: 4521600 CPU: 13088.9, 0.00291083/step Wall: 13088.9, 0.00291083/step, 0.386817 hours remaining, 210.992188 MB of memory in use. ENERGY: 4521600 769.0942 2046.1331 1933.7214 114.5078 -206045.3133 17524.0777 0.0000 0.0000 34289.3595 -149368.4197 299.4575 -183657.7791 -149269.9434 299.1148 -208.0270 -171.0958 556007.1194 8.0062 7.8061 PRESSURE: 4521800 -84.0075 100.846 109.734 100.846 -1.06434 71.1908 109.734 71.1897 266.187 GPRESSURE: 4521800 44.9604 131.647 140.824 84.4587 8.9505 66.9897 78.1834 68.8482 234.593 PRESSAVG: 4521800 -13.0624 17.2336 39.4676 17.2336 38.5507 20.7962 39.4676 20.7962 2.44365 GPRESSAVG: 4521800 -13.472 18.6943 34.822 17.5037 39.2503 21.8124 42.4586 21.9165 2.14724 TIMING: 4521800 CPU: 13089.4, 0.00289079/step Wall: 13089.4, 0.00289079/step, 0.383993 hours remaining, 210.992188 MB of memory in use. ENERGY: 4521800 749.8870 2082.8874 1954.2868 116.9192 -206535.0858 18035.2396 0.0000 0.0000 34392.8143 -149203.0516 300.3610 -183595.8659 -149104.4461 299.2904 60.3716 96.1679 557178.6210 9.3107 9.3085 PRESSURE: 4522000 77.9999 46.4146 55.3438 46.4142 -123.649 56.8861 55.342 56.886 104.716 GPRESSURE: 4522000 129.562 122.555 16.5202 48.5335 -92.5403 -27.684 71.3892 91.6144 122.25 PRESSAVG: 4522000 6.48393 -15.0164 22.3557 -15.0163 -46.3544 44.6309 22.3558 44.631 30.1975 GPRESSAVG: 4522000 6.64443 -16.146 22.6875 -13.0447 -47.2433 43.8141 23.438 45.11 31.5663 TIMING: 4522000 CPU: 13090, 0.00289279/step Wall: 13090, 0.00289279/step, 0.384099 hours remaining, 210.992188 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: 4522000 726.6374 2033.5758 1949.6124 111.0390 -206691.1734 18021.0682 0.0000 0.0000 34374.8645 -149474.3761 300.2042 -183849.2406 -149383.0777 299.2426 19.6891 53.0907 556719.7824 -3.2243 -3.0109 PRESSURE: 4522200 -98.9114 -69.4745 -54.8205 -69.4742 -191.177 -7.25175 -54.8194 -7.25318 -60.4685 GPRESSURE: 4522200 -81.1819 -108.514 -27.6279 -73.5918 -133.56 -38.4222 -126.38 61.2835 -35.0718 PRESSAVG: 4522200 -64.5582 -19.4126 -12.3063 -19.4127 48.8782 -26.2626 -12.3063 -26.2627 -1.80882 GPRESSAVG: 4522200 -64.9465 -17.6688 -10.76 -19.4706 50.179 -25.8364 -13.247 -26.8082 -2.76696 TIMING: 4522200 CPU: 13090.6, 0.00290994/step Wall: 13090.6, 0.00290994/step, 0.386214 hours remaining, 210.992188 MB of memory in use. ENERGY: 4522200 738.5463 2122.1153 1952.0151 112.4128 -206008.4284 17501.4079 0.0000 0.0000 34235.6760 -149346.2552 298.9887 -183581.9312 -149250.2035 298.8036 -116.8525 -83.2713 557805.9840 -5.8296 -5.8448 PRESSURE: 4522400 -226.108 17.7919 -30.8882 17.7909 -198.348 -118.37 -30.888 -118.371 -1.30668 GPRESSURE: 4522400 -144.223 15.319 48.5207 -28.1181 -190.409 -161.003 -135.094 -141.648 9.71217 PRESSAVG: 4522400 31.3914 -38.0019 28.6432 -38.0019 -34.3857 -14.6832 28.6433 -14.6831 24.7912 GPRESSAVG: 4522400 30.6119 -39.7024 28.3682 -38.1165 -35.1251 -18.1412 27.3965 -14.422 26.0597 TIMING: 4522400 CPU: 13091.2, 0.00292739/step Wall: 13091.2, 0.00292739/step, 0.388368 hours remaining, 210.992188 MB of memory in use. ENERGY: 4522400 754.5055 2047.5962 1957.0083 108.9012 -206010.0007 17596.6735 0.0000 0.0000 34312.8123 -149232.5037 299.6623 -183545.3160 -149133.5071 299.7121 -141.9210 -108.3067 558648.5668 7.2656 7.1822 PRESSURE: 4522600 214.656 154.936 148.449 154.937 -41.4651 45.7698 148.45 45.7687 -58.0168 GPRESSURE: 4522600 216.917 152.451 199.939 136.184 -2.71103 104.382 82.964 23.1375 -4.26687 PRESSAVG: 4522600 -34.1325 19.0531 0.17026 19.0532 -17.3041 -9.80641 0.170177 -9.80652 61.8382 GPRESSAVG: 4522600 -33.6443 20.3796 -1.81844 19.1608 -17.1644 -5.56892 0.994159 -11.2649 61.1888 TIMING: 4522600 CPU: 13091.8, 0.00290416/step Wall: 13091.8, 0.00290416/step, 0.385124 hours remaining, 210.992188 MB of memory in use. ENERGY: 4522600 763.3834 2127.6840 1953.8347 109.2553 -206423.5554 18013.3824 0.0000 0.0000 34286.9887 -149169.0269 299.4368 -183456.0157 -149076.3885 299.6801 38.3914 69.9796 558183.7184 3.4672 3.4600 PRESSURE: 4522800 305.338 -63.5439 89.0803 -63.5444 -250.761 -47.5725 89.0809 -47.573 -89.3606 GPRESSURE: 4522800 321.098 -73.8458 60.02 -22.9413 -242.39 -37.4617 136.944 9.48077 -14.0586 PRESSAVG: 4522800 39.5631 20.4977 5.69222 20.4976 -33.7355 -15.0562 5.69211 -15.0562 -32.1776 GPRESSAVG: 4522800 39.7589 20.0868 7.55104 19.2689 -34.3989 -14.3646 6.66606 -13.8213 -31.9115 TIMING: 4522800 CPU: 13092.4, 0.00288287/step Wall: 13092.4, 0.00288287/step, 0.382141 hours remaining, 210.992188 MB of memory in use. ENERGY: 4522800 776.7232 2076.8324 1953.8590 118.3928 -206114.5293 17753.9978 0.0000 0.0000 34342.0465 -149092.6776 299.9176 -183434.7241 -148989.9122 300.0442 -11.5945 21.5496 558301.8291 -8.7833 -8.8505 PRESSURE: 4523000 6.83297 8.63776 -333.277 8.63722 309.881 149.6 -333.277 149.602 -8.68968 GPRESSURE: 4523000 17.9661 14.2003 -310.309 45.1847 287.069 146.806 -288.576 132.845 92.1574 PRESSAVG: 4523000 -1.4454 27.1287 -5.8751 27.1287 16.6487 -30.1304 -5.87492 -30.1303 11.4528 GPRESSAVG: 4523000 -1.43642 25.6009 -6.96829 29.6462 17.102 -33.6611 -5.9498 -30.4597 11.1994 TIMING: 4523000 CPU: 13092.9, 0.00287925/step Wall: 13092.9, 0.00287925/step, 0.3815 hours remaining, 210.992188 MB of memory in use. ENERGY: 4523000 772.5793 2080.0090 1947.8401 116.1622 -206534.0837 18128.7608 0.0000 0.0000 34440.8619 -149047.8704 300.7806 -183488.7324 -148950.9012 299.6921 102.6747 132.3976 558018.4380 8.8854 8.9550 PRESSURE: 4523200 366.345 -101.955 -28.5745 -101.955 117.49 -110.649 -28.574 -110.648 84.2452 GPRESSURE: 4523200 382.869 -66.7519 -106.394 -164.085 195.331 -152.287 15.9149 -116.903 92.9989 PRESSAVG: 4523200 -41.0296 40.3102 24.9327 40.3102 -3.24013 34.8574 24.9328 34.8573 -8.41406 GPRESSAVG: 4523200 -40.6953 40.3117 24.9956 40.1709 -3.61917 35.5025 24.5666 35.2048 -9.04245 TIMING: 4523200 CPU: 13093.5, 0.00287521/step Wall: 13093.5, 0.00287521/step, 0.380805 hours remaining, 210.992188 MB of memory in use. ENERGY: 4523200 739.2998 2109.4010 1944.7152 117.3183 -206068.2822 17961.6795 0.0000 0.0000 34323.1470 -148872.7214 299.7526 -183195.8684 -148773.4198 300.1264 189.3602 223.7330 558082.4437 -17.5613 -17.7857 PRESSURE: 4523400 -214.01 100.837 -2.09025 100.838 -112.458 -12.3159 -2.09073 -12.3155 21.739 GPRESSURE: 4523400 -194.505 160 -46.1432 52.0498 -47.5327 -12.7059 21.9786 1.70887 42.4181 PRESSAVG: 4523400 -61.9924 -26.5332 36.9606 -26.5332 75.4261 -51.378 36.9608 -51.378 15.9506 GPRESSAVG: 4523400 -63.7195 -27.1336 36.8948 -29.0647 76.9358 -50.9595 37.1505 -51.7387 15.9993 TIMING: 4523400 CPU: 13094.1, 0.00288365/step Wall: 13094.1, 0.00288365/step, 0.381763 hours remaining, 210.992188 MB of memory in use. ENERGY: 4523400 738.8725 2079.3569 1941.7375 121.6437 -205700.4959 17604.2267 0.0000 0.0000 34321.5585 -148893.1001 299.7387 -183214.6587 -148793.5119 299.9605 -101.5763 -66.5398 559105.6745 9.7948 9.7385 PRESSURE: 4523600 263.789 84.8968 -81.7752 84.8973 -53.9478 -11.8762 -81.7754 -11.8773 219.766 GPRESSURE: 4523600 297.705 75.8537 -62.5382 52.097 -6.53899 -55.3633 -15.0299 38.8292 234.867 PRESSAVG: 4523600 -47.298 32.0526 -52.2116 32.0527 72.5117 2.95287 -52.2116 2.95292 -7.80931 GPRESSAVG: 4523600 -45.2658 33.9842 -51.7432 32.6627 70.4727 3.0271 -52.1987 4.14196 -7.64485 TIMING: 4523600 CPU: 13094.7, 0.0028786/step Wall: 13094.7, 0.0028786/step, 0.380935 hours remaining, 210.992188 MB of memory in use. ENERGY: 4523600 703.7745 2044.9374 1957.8261 130.0142 -205891.8986 17771.6155 0.0000 0.0000 34414.1333 -148869.5977 300.5472 -183283.7309 -148767.6427 299.8708 143.2023 175.3443 557038.2350 5.8015 5.8540 PRESSURE: 4523800 -72.5197 93.6605 26.1563 93.6598 -242.008 250.169 26.1574 250.166 1.21124 GPRESSURE: 4523800 -74.4483 -19.1835 51.8529 107.151 -164.825 218.769 35.0421 253.782 27.6787 PRESSAVG: 4523800 -3.81395 28.1078 21.4833 28.1078 -10.0262 13.4601 21.4833 13.4601 -4.35336 GPRESSAVG: 4523800 -4.87471 26.9001 21.4503 28.1756 -9.64719 15.3192 20.7444 11.2813 -3.76934 TIMING: 4523800 CPU: 13095.2, 0.00289692/step Wall: 13095.2, 0.00289692/step, 0.383198 hours remaining, 210.992188 MB of memory in use. ENERGY: 4523800 778.4265 2046.2976 1957.4646 108.1812 -205907.8480 17837.0607 0.0000 0.0000 34259.7487 -148920.6687 299.1989 -183180.4174 -148815.7640 299.9041 -104.4389 -70.5315 559339.5413 -6.0645 -6.0971 PRESSURE: 4524000 -128.612 -32.1968 39.9806 -32.197 -127.036 -85.9739 39.9826 -85.9742 -134.634 GPRESSURE: 4524000 -125.429 -72.3728 28.8904 54.323 -46.6524 29.685 43.779 -144.842 -118.456 PRESSAVG: 4524000 38.2816 -14.2635 44.3143 -14.2635 -13.7418 78.9114 44.3143 78.9112 -36.5886 GPRESSAVG: 4524000 37.9079 -12.9667 44.9992 -15.632 -12.4273 78.3004 43.869 79.209 -37.0548 TIMING: 4524000 CPU: 13095.8, 0.00288308/step Wall: 13095.8, 0.00288308/step, 0.381208 hours remaining, 210.992188 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: 4524000 723.6836 2052.3440 1935.5109 114.1028 -205678.5349 17588.6136 0.0000 0.0000 34378.1189 -148886.1611 300.2327 -183264.2800 -148785.4923 300.2582 -130.0938 -96.8459 558710.3206 -4.0163 -3.8581 PRESSURE: 4524200 -137.873 168.49 238.999 168.49 -242.024 -41.5082 238.998 -41.507 -54.6924 GPRESSURE: 4524200 -128.821 247.105 199.478 170.008 -244.881 -84.3351 301.667 28.0325 34.3293 PRESSAVG: 4524200 -11.8636 13.8748 1.31446 13.8748 -22.3996 8.31313 1.31441 8.31309 11.1798 GPRESSAVG: 4524200 -10.7957 12.7094 0.520926 15.0038 -24.7892 8.31497 2.18356 8.57857 12.9298 TIMING: 4524200 CPU: 13096.4, 0.00287631/step Wall: 13096.4, 0.00287631/step, 0.380152 hours remaining, 210.992188 MB of memory in use. ENERGY: 4524200 799.2745 2103.7753 1948.9736 117.0871 -205776.2345 17674.9235 0.0000 0.0000 34397.3844 -148734.8161 300.4009 -183132.2005 -148645.8394 300.7427 -144.8633 -113.1241 558810.8693 -7.6945 -7.5517 LDB: ============= START OF LOAD BALANCING ============== 13099.8 LDB: ============== END OF LOAD BALANCING =============== 13099.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13099.8 LDB: ============= START OF LOAD BALANCING ============== 13100.1 LDB: Largest compute 4772 load 0.026240 is 22.2% of average load 0.118000 LDB: Average compute 0.001729 is 1.5% of average load 0.118000 LDB: TIME 13100.1 LOAD: AVG 0.118 MAX 0.177746 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.152 MB LDB: TIME 13100.1 LOAD: AVG 0.118 MAX 0.177746 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.215 MB LDB: TIME 13100.1 LOAD: AVG 0.118 MAX 0.177746 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.215 MB LDB: ============== END OF LOAD BALANCING =============== 13100.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13100.1 PRESSURE: 4524400 110.154 -124.763 -84.7251 -124.763 207.843 -57.0721 -84.7246 -57.0707 95.0405 GPRESSURE: 4524400 146.248 -205.167 -116.933 -79.8632 231.709 -70.21 -95.5175 -20.6712 135.186 PRESSAVG: 4524400 -16.3757 -45.584 17.9756 -45.5841 34.4054 -4.67079 17.9756 -4.67079 -35.9536 GPRESSAVG: 4524400 -16.7753 -45.096 17.4059 -45.2377 35.7539 -6.20275 18.297 -0.260593 -37.1078 TIMING: 4524400 CPU: 13097, 0.00294294/step Wall: 13097, 0.00294294/step, 0.388795 hours remaining, 210.152344 MB of memory in use. ENERGY: 4524400 760.4937 2039.2693 1951.5840 128.6369 -205723.2955 18026.2382 0.0000 0.0000 34250.2281 -148566.8452 299.1158 -182817.0734 -148472.5675 300.3561 137.6793 171.0476 558739.9261 -5.9746 -6.0431 PRESSURE: 4524600 108.442 91.0296 67.5447 91.0286 66.5949 117.014 67.5444 117.014 -26.7367 GPRESSURE: 4524600 128.003 146.226 6.88983 95.6219 106.928 96.2292 23.7809 74.1851 23.4807 PRESSAVG: 4524600 46.942 28.9267 -10.5606 28.9268 -13.9336 -24.4565 -10.5606 -24.4565 -62.1431 GPRESSAVG: 4524600 47.513 30.4492 -8.46193 28.8577 -14.7384 -21.8735 -10.3244 -28.292 -61.7366 TIMING: 4524600 CPU: 13097.6, 0.00289183/step Wall: 13097.6, 0.00289183/step, 0.381883 hours remaining, 210.152344 MB of memory in use. ENERGY: 4524600 787.0752 2088.0980 1963.3045 120.5538 -206088.7225 17885.9013 0.0000 0.0000 34505.6035 -148738.1862 301.3460 -183243.7897 -148640.6540 300.8678 49.4335 86.1373 559928.6412 -9.7115 -9.6540 PRESSURE: 4524800 -159.99 -126.905 -165.76 -126.904 91.6209 -150.337 -165.759 -150.338 13.7948 GPRESSURE: 4524800 -128.3 -23.2462 -127.018 -220.677 88.2936 -164.933 -217.497 -105.039 96.0698 PRESSAVG: 4524800 3.17271 72.0551 -24.4216 72.0552 -33.2054 3.48848 -24.4216 3.48841 -7.53399 GPRESSAVG: 4524800 2.65417 70.5997 -24.6111 71.5756 -32.5377 0.690865 -26.1229 6.97785 -8.11673 TIMING: 4524800 CPU: 13098.1, 0.00288584/step Wall: 13098.1, 0.00288584/step, 0.380931 hours remaining, 210.152344 MB of memory in use. ENERGY: 4524800 750.4093 2051.1638 1951.3177 102.1145 -205807.1320 17775.9270 0.0000 0.0000 34436.7894 -148739.4104 300.7450 -183176.1997 -148641.1350 300.7783 -18.1915 18.6878 558986.3538 -12.5222 -12.6668 PRESSURE: 4525000 12.8367 -120.06 80.7408 -120.06 226.868 -48.2416 80.742 -48.2425 8.53051 GPRESSURE: 4525000 28.5087 -51.0345 34.9525 -126.342 264.35 -104.954 16.1578 0.806895 52.0252 PRESSAVG: 4525000 -2.56357 -60.8836 -56.3207 -60.8836 17.1569 3.25741 -56.3207 3.25743 -17.2623 GPRESSAVG: 4525000 -3.90899 -60.1764 -54.5669 -62.9687 17.0573 3.52991 -55.3358 2.54251 -16.0374 TIMING: 4525000 CPU: 13098.7, 0.00289165/step Wall: 13098.7, 0.00289165/step, 0.381537 hours remaining, 210.152344 MB of memory in use. ENERGY: 4525000 747.7571 2076.1911 1959.6481 107.2072 -205910.9470 17876.6575 0.0000 0.0000 34378.4754 -148765.0106 300.2358 -183143.4860 -148671.7997 300.6255 82.7451 114.9612 558256.5728 -0.8897 -0.9630 PRESSURE: 4525200 -152.496 58.6161 -98.9461 58.6165 -41.5758 153.632 -98.9453 153.632 16.6006 GPRESSURE: 4525200 -124.582 9.13913 -58.5528 76.4591 -30.257 120.355 -129.376 83.9137 72.2943 PRESSAVG: 4525200 58.0704 38.9879 -52.9101 38.9878 -26.939 -13.2029 -52.91 -13.2029 8.21229 GPRESSAVG: 4525200 59.978 37.6728 -54.4102 40.3935 -26.9867 -13.5949 -51.2018 -16.0388 6.1837 TIMING: 4525200 CPU: 13099.3, 0.00291162/step Wall: 13099.3, 0.00291162/step, 0.384011 hours remaining, 210.152344 MB of memory in use. ENERGY: 4525200 801.0772 2042.6654 1962.8177 113.7030 -206060.5068 17815.1119 0.0000 0.0000 34390.2690 -148934.8626 300.3388 -183325.1316 -148847.9473 300.5320 -59.1571 -27.5150 559215.7849 13.1146 13.0583 PRESSURE: 4525400 -10.6172 89.8119 -294.204 89.8126 -44.2473 -93.2351 -294.203 -93.2352 116.847 GPRESSURE: 4525400 0.600973 84.1428 -303.219 100.996 12.8026 -169.112 -243.158 10.5005 141.344 PRESSAVG: 4525400 9.32578 36.3898 -84.6609 36.3899 0.436143 -28.3635 -84.661 -28.3635 42.3982 GPRESSAVG: 4525400 9.02127 37.6409 -86.1879 36.365 0.253395 -27.275 -84.2081 -25.8239 42.7381 TIMING: 4525400 CPU: 13099.9, 0.00289716/step Wall: 13099.9, 0.00289716/step, 0.381942 hours remaining, 210.152344 MB of memory in use. ENERGY: 4525400 714.9328 2067.0687 1930.7555 120.3319 -206125.3034 17799.5633 0.0000 0.0000 34427.7283 -149064.9228 300.6659 -183492.6512 -148972.5540 300.5707 20.6607 51.5824 557312.1728 17.3867 17.3376 PRESSURE: 4525600 72.5941 54.583 -87.0993 54.5844 123.251 140.411 -87.0989 140.413 -99.4526 GPRESSURE: 4525600 86.3451 88.0468 -3.48411 72.3898 144.986 212.228 -92.4247 95.6835 -33.3882 PRESSAVG: 4525600 3.99584 -15.7393 -47.9912 -15.7392 49.1689 -12.6709 -47.9913 -12.671 -15.7058 GPRESSAVG: 4525600 4.20472 -15.3707 -47.6247 -15.6803 48.7545 -12.7853 -48.1027 -14.2113 -15.2869 TIMING: 4525600 CPU: 13100.5, 0.00292124/step Wall: 13100.5, 0.00292124/step, 0.384954 hours remaining, 210.152344 MB of memory in use. ENERGY: 4525600 745.9228 2054.0151 1931.7027 102.1681 -205986.2424 17859.6922 0.0000 0.0000 34233.0299 -149059.7115 298.9656 -183292.7414 -148962.3656 300.2451 32.1307 65.9810 558744.6330 12.4863 12.5574 PRESSURE: 4525800 -69.5198 7.80966 42.4313 7.80886 -92.3579 131.421 42.432 131.42 36.5827 GPRESSURE: 4525800 -60.0426 36.3262 39.0916 -74.0228 -36.038 109.937 24.0867 91.056 72.9228 PRESSAVG: 4525800 -50.1742 6.31721 -24.5479 6.31725 4.09318 2.99842 -24.5479 2.99834 51.263 GPRESSAVG: 4525800 -50.5786 4.65902 -22.0878 7.61605 4.49843 4.09198 -24.8479 1.90506 51.0825 TIMING: 4525800 CPU: 13101, 0.00289342/step Wall: 13101, 0.00289342/step, 0.381128 hours remaining, 210.152344 MB of memory in use. ENERGY: 4525800 741.9734 2084.8416 1931.9777 111.2250 -205892.6679 17641.0413 0.0000 0.0000 34468.9169 -148912.6920 301.0256 -183381.6089 -148818.2445 299.2414 -41.7650 -7.7192 559359.4032 1.7273 1.6674 PRESSURE: 4526000 -82.1216 97.6573 -79.3306 97.6557 -73.3481 46.2106 -79.3315 46.2113 27.9985 GPRESSURE: 4526000 -11.9819 101.308 -105.416 36.9202 -15.9446 75.5909 -115.233 161.122 7.29275 PRESSAVG: 4526000 -17.7322 -18.4407 -7.07915 -18.4407 -27.7937 -10.5615 -7.0792 -10.5616 43.0309 GPRESSAVG: 4526000 -17.6579 -18.4525 -7.11944 -18.8964 -28.1383 -11.586 -9.41176 -7.75201 43.2258 TIMING: 4526000 CPU: 13101.6, 0.00288483/step Wall: 13101.6, 0.00288483/step, 0.379836 hours remaining, 210.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4526000 741.8045 2046.9148 1913.3440 112.0463 -205822.0827 17652.1377 0.0000 0.0000 34507.0692 -148848.7661 301.3588 -183355.8354 -148755.5070 300.1106 -42.4904 -6.8779 558173.8957 -0.8317 -0.8568 PRESSURE: 4526200 199.508 161.275 -80.1344 161.276 -12.8918 53.8063 -80.1333 53.8064 17.0467 GPRESSURE: 4526200 199.15 109.159 -139.907 181.934 25.92 28.3518 -56.4577 -34.6348 81.1122 PRESSAVG: 4526200 -72.5101 3.82121 -13.1233 3.8212 47.1583 31.0375 -13.1233 31.0376 10.7434 GPRESSAVG: 4526200 -73.3012 5.06026 -15.4174 2.24694 48.6379 31.9404 -11.4431 26.7402 10.5184 TIMING: 4526200 CPU: 13102.2, 0.00287214/step Wall: 13102.2, 0.00287214/step, 0.378006 hours remaining, 210.152344 MB of memory in use. ENERGY: 4526200 763.0291 2029.0349 1921.8157 114.9843 -205983.7077 17809.0044 0.0000 0.0000 34449.2069 -148896.6325 300.8535 -183345.8394 -148802.0432 299.8363 67.8876 102.0606 557501.0985 -4.8695 -4.7150 PRESSURE: 4526400 -86.4619 46.0182 -5.25775 46.0194 -20.8678 41.9794 -5.25738 41.9782 -33.5847 GPRESSURE: 4526400 -48.2271 46.936 5.20626 24.9261 47.5749 112.403 17.8332 -5.27057 -43.0167 PRESSAVG: 4526400 -13.6063 43.343 9.85399 43.343 -7.74312 20.072 9.85398 20.072 27.7553 GPRESSAVG: 4526400 -12.704 42.7643 11.5623 43.9068 -8.29635 18.0411 8.10694 23.9026 26.9979 TIMING: 4526400 CPU: 13102.8, 0.0028948/step Wall: 13102.8, 0.0028948/step, 0.380827 hours remaining, 210.152344 MB of memory in use. ENERGY: 4526400 749.9510 2039.2564 1942.7192 112.6216 -205746.1598 17561.7419 0.0000 0.0000 34337.7079 -149002.1619 299.8797 -183339.8698 -148903.7272 299.6826 -46.9715 -14.5563 557560.9365 2.1353 1.9992 PRESSURE: 4526600 -110.112 -148.723 -21.7941 -148.722 179.794 -140.717 -21.7941 -140.715 -63.6593 GPRESSURE: 4526600 -10.5893 -147.291 -13.5867 -88.4738 206.726 -116.505 -27.2605 -209.928 -97.0644 PRESSAVG: 4526600 -28.729 13.1357 -30.6783 13.1357 42.7111 -31.1789 -30.6783 -31.179 -2.35876 GPRESSAVG: 4526600 -28.8349 12.9345 -32.519 11.8522 42.3536 -30.7241 -27.9936 -31.2812 -2.59534 TIMING: 4526600 CPU: 13103.3, 0.00289467/step Wall: 13103.3, 0.00289467/step, 0.380648 hours remaining, 210.152344 MB of memory in use. ENERGY: 4526600 692.5263 2108.0446 1929.2337 105.6935 -205855.8642 17557.1063 0.0000 0.0000 34528.9222 -148934.3375 301.5497 -183463.2596 -148840.1803 300.4658 2.0075 33.0241 557684.4541 3.8744 3.6411 PRESSURE: 4526800 -38.7709 -193.798 4.5264 -193.796 -3.10651 98.9397 4.52632 98.9404 185.7 GPRESSURE: 4526800 4.97024 -82.1161 -21.9342 -114.766 2.09936 43.9184 75.7429 145.934 248.166 PRESSAVG: 4526800 -28.8132 -23.5841 6.938 -23.5841 19.2233 -60.3186 6.93813 -60.3184 -3.48542 GPRESSAVG: 4526800 -29.27 -21.8748 8.22204 -22.244 18.4707 -61.0224 4.68702 -62.449 -2.36997 TIMING: 4526800 CPU: 13103.9, 0.00289633/step Wall: 13103.9, 0.00289633/step, 0.380707 hours remaining, 210.152344 MB of memory in use. ENERGY: 4526800 735.3948 2064.8437 1930.4414 108.8266 -206038.0971 17701.7484 0.0000 0.0000 34386.0018 -149110.8405 300.3015 -183496.8423 -149013.9340 300.1773 47.9408 85.0784 556012.3211 -4.3585 -4.3897 PRESSURE: 4527000 374.059 -2.22469 132.827 -2.2251 -52.9316 41.6947 132.828 41.6945 99.9814 GPRESSURE: 4527000 360.35 -16.7904 155.912 33.1397 8.66075 131.342 80.6429 72.1718 155.572 PRESSAVG: 4527000 -72.5349 0.993231 -18.5104 0.9933 45.8911 10.7671 -18.5102 10.7672 0.20998 GPRESSAVG: 4527000 -72.85 0.778481 -19.6192 1.21241 46.9573 11.4922 -17.9698 11.0076 -0.616933 TIMING: 4527000 CPU: 13104.5, 0.0028641/step Wall: 13104.5, 0.0028641/step, 0.376311 hours remaining, 210.152344 MB of memory in use. ENERGY: 4527000 757.3149 2117.2632 1938.9835 109.7419 -206408.9857 18149.9527 0.0000 0.0000 34206.9785 -149128.7510 298.7381 -183335.7295 -149033.0237 299.3248 140.3695 174.8609 557755.4422 -8.8113 -8.8366 PRESSURE: 4527200 252.999 -74.9449 -3.59079 -74.9439 20.1491 52.2092 -3.59044 52.21 -108.226 GPRESSURE: 4527200 267.436 -61.4908 -44.3414 -40.4914 54.9753 26.7975 27.8027 31.9527 -62.368 PRESSAVG: 4527200 -41.8379 -33.6499 -34.4828 -33.6499 47.3079 4.996 -34.4827 4.9962 0.958402 GPRESSAVG: 4527200 -41.7386 -34.9847 -33.2148 -32.6567 46.3176 6.26212 -33.118 6.69602 1.71841 TIMING: 4527200 CPU: 13105.1, 0.00285941/step Wall: 13105.1, 0.00285941/step, 0.375536 hours remaining, 210.152344 MB of memory in use. ENERGY: 4527200 775.9167 2052.8937 1949.1921 110.9326 -206297.6329 17902.7072 0.0000 0.0000 34317.1557 -149188.8349 299.7003 -183505.9906 -149090.0292 298.5376 54.9739 86.6812 557062.2609 2.1428 2.0991 PRESSURE: 4527400 -104.222 134.021 21.0735 134.022 -285.196 72.4821 21.0738 72.4824 -135.794 GPRESSURE: 4527400 -24.7353 185.102 50.6636 47.9619 -312.108 43.7813 0.751568 192.424 -100.143 PRESSAVG: 4527400 51.6598 -15.6874 18.581 -15.6875 -17.2361 -4.06927 18.581 -4.06923 -17.3097 GPRESSAVG: 4527400 52.3093 -14.2109 17.33 -18.3209 -17.5594 -3.24538 16.9656 -4.37748 -17.9856 TIMING: 4527400 CPU: 13105.6, 0.00286936/step Wall: 13105.6, 0.00286936/step, 0.376683 hours remaining, 210.152344 MB of memory in use. ENERGY: 4527400 771.0769 2017.5292 1939.7058 117.9323 -205881.7992 17515.3392 0.0000 0.0000 34341.9775 -149178.2385 299.9170 -183520.2159 -149084.8379 298.9435 -175.0707 -145.6622 558189.8673 5.7047 5.5881 PRESSURE: 4527600 -186.066 65.8502 175.166 65.8503 -90.1771 71.8487 175.166 71.8484 -173.294 GPRESSURE: 4527600 -99.4638 4.85516 128.478 91.5518 -136.114 122.233 122.704 71.3196 -113.23 PRESSAVG: 4527600 61.0866 54.3639 88.1827 54.364 -20.9624 78.9868 88.1827 78.9868 -74.9655 GPRESSAVG: 4527600 60.3231 51.5915 89.3661 55.8602 -20.0332 77.9395 87.6796 78.5205 -74.7273 TIMING: 4527600 CPU: 13106.2, 0.00287555/step Wall: 13106.2, 0.00287555/step, 0.377337 hours remaining, 210.152344 MB of memory in use. ENERGY: 4527600 725.8839 2062.4017 1954.1524 107.9155 -205861.6801 17602.1014 0.0000 0.0000 34218.0413 -149191.1840 298.8347 -183409.2252 -149095.4792 299.0319 -149.8457 -116.2692 558427.7904 -11.6138 -11.4791 PRESSURE: 4527800 -140.419 -15.4426 -54.2506 -15.442 -21.8156 191.105 -54.2503 191.105 161.324 GPRESSURE: 4527800 -50.1599 -88.8851 27.3379 -7.65616 -64.1761 166.355 -101.723 250.939 207.265 PRESSAVG: 4527800 -13.1003 57.17 9.3359 57.17 -8.2905 73.6009 9.33586 73.6009 31.8678 GPRESSAVG: 4527800 -12.1713 59.4381 8.22383 56.3436 -8.99024 71.7908 10.6236 74.4634 31.732 TIMING: 4527800 CPU: 13106.8, 0.00287541/step Wall: 13106.8, 0.00287541/step, 0.377158 hours remaining, 210.152344 MB of memory in use. ENERGY: 4527800 738.0517 2057.7459 1930.7478 115.0229 -205949.3963 17656.2975 0.0000 0.0000 34056.1310 -149395.3995 297.4207 -183451.5305 -149302.0220 298.9353 -0.3036 30.9764 557280.6986 3.4923 3.5235 PRESSURE: 4528000 199.193 83.3893 -89.7651 83.3885 141.377 32.3656 -89.7652 32.3661 -437.292 GPRESSURE: 4528000 224.443 148.074 -109.974 36.1749 156.077 78.1244 -96.334 38.7084 -381.153 PRESSAVG: 4528000 33.3655 17.1063 -29.5993 17.1063 -52.2904 62.7771 -29.5994 62.777 32.1563 GPRESSAVG: 4528000 31.6842 16.3514 -28.578 17.8194 -51.2975 63.463 -31.016 63.5422 32.5177 TIMING: 4528000 CPU: 13107.4, 0.00285715/step Wall: 13107.4, 0.00285715/step, 0.374605 hours remaining, 210.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4528000 722.5686 2116.9546 1928.9320 117.1720 -206028.9683 17688.4190 0.0000 0.0000 34204.9440 -149249.9780 298.7203 -183454.9220 -149155.9322 299.2801 -32.2409 -0.2111 558716.7720 4.4105 4.3015 PRESSURE: 4528200 57.4898 35.9621 5.23573 35.9617 60.0535 32.8148 5.23617 32.8138 -66.1278 GPRESSURE: 4528200 88.1949 34.0269 81.2279 -16.6145 93.6596 16.1083 24.4431 46.3948 -31.1128 PRESSAVG: 4528200 106.88 26.1636 -67.852 26.1636 -34.0117 -24.2997 -67.852 -24.2998 -24.4369 GPRESSAVG: 4528200 106.82 26.9977 -67.4321 24.8574 -34.0197 -24.7898 -67.7161 -25.2854 -24.2463 TIMING: 4528200 CPU: 13107.9, 0.00288056/step Wall: 13107.9, 0.00288056/step, 0.377514 hours remaining, 210.152344 MB of memory in use. ENERGY: 4528200 720.7786 2043.3922 1934.8229 110.5770 -206137.1742 17769.6792 0.0000 0.0000 34336.3161 -149221.6083 299.8676 -183557.9244 -149122.8052 299.3655 17.1385 50.2472 558013.6062 16.1437 16.1848 LDB: ============= START OF LOAD BALANCING ============== 13111.3 LDB: ============== END OF LOAD BALANCING =============== 13111.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13111.3 LDB: ============= START OF LOAD BALANCING ============== 13111.6 LDB: Largest compute 4773 load 0.024902 is 21.1% of average load 0.118159 LDB: Average compute 0.001725 is 1.5% of average load 0.118159 LDB: TIME 13111.6 LOAD: AVG 0.118159 MAX 0.178427 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.641 MB LDB: TIME 13111.6 LOAD: AVG 0.118159 MAX 0.178427 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.68 MB LDB: TIME 13111.6 LOAD: AVG 0.118159 MAX 0.178427 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.68 MB LDB: ============== END OF LOAD BALANCING =============== 13111.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13111.6 PRESSURE: 4528400 -131.648 19.2622 23.7741 19.2613 -36.4024 1.48786 23.7742 1.48729 -131.79 GPRESSURE: 4528400 -72.279 37.3733 16.6688 -15.3982 -10.9406 95.1469 -23.0754 -120.079 -117.315 PRESSAVG: 4528400 41.764 -8.52298 -45.4192 -8.52303 -16.7848 26.8367 -45.4193 26.8367 27.4168 GPRESSAVG: 4528400 43.2237 -10.5989 -46.7571 -6.76434 -17.4769 28.4142 -45.3416 24.3686 26.7073 TIMING: 4528400 CPU: 13108.5, 0.00292772/step Wall: 13108.5, 0.00292772/step, 0.383531 hours remaining, 210.921875 MB of memory in use. ENERGY: 4528400 719.1200 2035.7095 1937.3857 127.3659 -205903.7597 17603.3740 0.0000 0.0000 34359.1744 -149121.6301 300.0672 -183480.8046 -149021.9188 300.1568 -99.9469 -66.8449 559428.0942 17.4654 17.4847 PRESSURE: 4528600 -115.594 -18.2531 -13.7136 -18.2529 -79.4665 -40.2084 -13.7147 -40.2105 -269.609 GPRESSURE: 4528600 -58.2441 -77.1055 -56.8197 68.9106 -82.8569 -150.322 79.6137 27.0126 -231.384 PRESSAVG: 4528600 52.2333 53.6883 -11.3335 53.6883 15.6369 -59.0936 -11.3335 -59.0937 -67.6614 GPRESSAVG: 4528600 51.4039 55.8195 -11.4838 51.7457 15.8878 -60.447 -12.4976 -57.3683 -67.2548 TIMING: 4528600 CPU: 13109.1, 0.0029002/step Wall: 13109.1, 0.0029002/step, 0.379765 hours remaining, 210.992188 MB of memory in use. ENERGY: 4528600 750.2377 2077.6974 1945.4270 103.0607 -205814.3155 17579.4328 0.0000 0.0000 34182.6582 -149175.8016 298.5257 -183358.4598 -149087.0189 300.1221 -154.8896 -124.1616 558711.4344 0.0696 0.0123 PRESSURE: 4528800 -4.44951 79.6295 23.6879 79.631 319.349 -79.367 23.6879 -79.3668 -49.98 GPRESSURE: 4528800 24.9018 62.4346 -24.9746 9.37407 334.014 -62.1445 31.9196 -73.1702 8.22595 PRESSAVG: 4528800 -6.27101 -0.756603 -41.3025 -0.756536 49.433 0.627149 -41.3025 0.627204 -21.3542 GPRESSAVG: 4528800 -6.28913 -1.32908 -40.9582 0.509228 49.4901 1.05639 -39.0802 1.05033 -21.5187 TIMING: 4528800 CPU: 13109.7, 0.00288387/step Wall: 13109.7, 0.00288387/step, 0.377467 hours remaining, 210.992188 MB of memory in use. ENERGY: 4528800 743.6862 2064.2653 1950.4733 122.9649 -206136.3151 17932.8648 0.0000 0.0000 34161.5997 -149160.4610 298.3417 -183322.0606 -149068.4219 298.8369 88.3065 122.3805 556711.7406 7.2693 7.2274 PRESSURE: 4529000 -53.9539 85.035 100.825 85.0357 20.8922 -78.0644 100.825 -78.0632 -41.6772 GPRESSURE: 4529000 -53.3548 133.719 12.9514 89.3115 110.894 -122.253 95.0114 -113.351 -33.7177 PRESSAVG: 4529000 -14.4758 25.09 -29.7358 25.09 95.6497 -13.7776 -29.7359 -13.7776 -81.0284 GPRESSAVG: 4529000 -13.8448 26.2801 -30.5761 23.479 95.0999 -12.3868 -31.8006 -14.4438 -80.847 TIMING: 4529000 CPU: 13110.3, 0.00286846/step Wall: 13110.3, 0.00286846/step, 0.375291 hours remaining, 211.195312 MB of memory in use. ENERGY: 4529000 754.7080 2067.3909 1920.5133 106.3443 -206053.1979 17585.5004 0.0000 0.0000 34393.1222 -149225.6190 300.3637 -183618.7412 -149126.9524 299.4428 -24.9130 7.9405 556657.0890 0.0485 0.1361 PRESSURE: 4529200 -91.4784 -0.654153 14.5284 -0.654033 215.08 -119.668 14.5288 -119.668 27.275 GPRESSURE: 4529200 -50.6629 36.9913 73.2276 -55.3527 243.671 -134.226 -12.0443 -39.6063 46.9049 PRESSAVG: 4529200 32.1687 -34.2535 86.0846 -34.2535 38.1632 -21.0984 86.0846 -21.0984 -48.0727 GPRESSAVG: 4529200 29.788 -34.1558 85.1131 -33.0785 39.2284 -23.2871 88.0828 -19.4605 -47.4401 TIMING: 4529200 CPU: 13110.8, 0.00287074/step Wall: 13110.8, 0.00287074/step, 0.375428 hours remaining, 211.195312 MB of memory in use. ENERGY: 4529200 758.5925 2050.0688 1933.1349 104.8999 -206314.3312 17870.3239 0.0000 0.0000 34268.3098 -149329.0015 299.2737 -183597.3113 -149232.1418 299.2175 50.2922 79.9711 556840.6108 7.4197 7.1921 PRESSURE: 4529400 -209.24 -68.8574 133.961 -68.8578 17.7613 69.4246 133.961 69.4236 -205.869 GPRESSURE: 4529400 -164.885 -3.07948 131.53 -140.762 44.7919 108.725 141.42 47.1216 -180.121 PRESSAVG: 4529400 18.6829 46.3638 12.6825 46.3638 13.9461 -7.78556 12.6827 -7.78559 -46.4214 GPRESSAVG: 4529400 20.8267 45.9162 13.6538 46.7124 12.7982 -7.60809 10.8739 -7.54636 -47.7276 TIMING: 4529400 CPU: 13111.4, 0.00288483/step Wall: 13111.4, 0.00288483/step, 0.377111 hours remaining, 211.195312 MB of memory in use. ENERGY: 4529400 745.2305 2088.3261 1933.1817 119.3448 -205916.9101 17678.3318 0.0000 0.0000 34005.8632 -149346.6319 296.9817 -183352.4951 -149247.2749 298.9315 -132.4492 -100.0713 558016.0866 -4.5975 -4.7009 PRESSURE: 4529600 -192.117 5.18494 -44.6564 5.18439 68.0849 -52.4086 -44.6551 -52.4091 -167.884 GPRESSURE: 4529600 -98.8549 -93.9934 0.652671 25.7503 34.2939 -77.3091 -20.3292 9.10669 -134.712 PRESSAVG: 4529600 -51.6747 22.6093 65.7199 22.6094 46.4475 2.10734 65.72 2.10719 6.97029 GPRESSAVG: 4529600 -52.2097 21.7446 66.8307 22.1624 47.2715 3.2112 66.5745 0.0880309 6.25752 TIMING: 4529600 CPU: 13112, 0.00286759/step Wall: 13112, 0.00286759/step, 0.374698 hours remaining, 211.195312 MB of memory in use. ENERGY: 4529600 764.6247 1993.9269 1955.7605 107.6451 -206184.2908 17578.8856 0.0000 0.0000 34300.8133 -149482.6348 299.5575 -183783.4480 -149389.2770 298.3381 -97.3053 -66.4242 556998.0901 0.5810 0.4398 PRESSURE: 4529800 -134.344 65.943 -23.9725 65.9422 72.5712 46.1713 -23.9737 46.1728 -112.953 GPRESSURE: 4529800 -150.726 124.214 -10.8698 -5.42538 103.058 10.9864 -101.102 6.55162 -35.0193 PRESSAVG: 4529800 -76.7437 40.7977 -12.0163 40.7977 27.2899 7.42127 -12.0163 7.42132 31.3943 GPRESSAVG: 4529800 -76.4995 39.8931 -12.5035 42.6032 26.4404 5.8245 -13.6109 6.42604 31.8934 TIMING: 4529800 CPU: 13112.6, 0.00288661/step Wall: 13112.6, 0.00288661/step, 0.377023 hours remaining, 211.195312 MB of memory in use. ENERGY: 4529800 791.8391 2029.5613 1938.5903 115.1457 -206443.7950 17881.8483 0.0000 0.0000 34043.7367 -149643.0737 297.3124 -183686.8104 -149545.7067 297.7210 -58.2417 -27.5624 557845.2445 -6.0199 -6.0552 PRESSURE: 4530000 -118.528 22.3011 -110.831 22.3004 99.5362 -146.974 -110.83 -146.971 108.844 GPRESSURE: 4530000 -86.0151 48.6642 -57.6492 -85.4947 123.638 -70.9492 -174.889 -117.602 137.645 PRESSAVG: 4530000 -96.5475 32.7059 -10.0368 32.7059 -3.8304 1.23966 -10.0368 1.2397 59.4246 GPRESSAVG: 4530000 -96.5637 31.8392 -11.5763 31.8581 -3.95195 1.00623 -7.97719 3.4412 59.7185 TIMING: 4530000 CPU: 13113.1, 0.00288698/step Wall: 13113.1, 0.00288698/step, 0.376911 hours remaining, 211.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4530000 710.7404 2010.2436 1936.9282 111.0235 -206374.2248 17808.5574 0.0000 0.0000 34238.7425 -149557.9893 299.0155 -183796.7318 -149466.5335 297.9479 29.9508 58.4223 557633.5063 -13.6511 -13.5991 PRESSURE: 4530200 -85.8161 84.6855 42.0122 84.6854 -29.616 -133.522 42.0127 -133.523 -87.9458 GPRESSURE: 4530200 -5.81157 110.906 17.4201 6.34028 1.99868 -179.621 21.9459 -129.235 -102.25 PRESSAVG: 4530200 -5.08494 77.6844 44.6385 77.6844 -0.748556 -39.2778 44.6385 -39.2779 25.7837 GPRESSAVG: 4530200 -5.70568 79.622 45.6428 76.56 0.523007 -38.8183 44.7312 -40.5669 24.8302 TIMING: 4530200 CPU: 13113.7, 0.00287722/step Wall: 13113.7, 0.00287722/step, 0.375478 hours remaining, 211.195312 MB of memory in use. ENERGY: 4530200 718.9249 2093.8707 1940.6290 106.6415 -206517.8781 17687.4665 0.0000 0.0000 34344.8080 -149625.5375 299.9418 -183970.3455 -149535.5556 297.7375 -67.7926 -35.3544 556633.8884 6.6501 6.5492 PRESSURE: 4530400 -96.4565 -47.5605 -44.4138 -47.5604 -103.448 139.868 -44.4131 139.869 -25.9497 GPRESSURE: 4530400 -48.609 -118.869 -55.5561 27.3756 -84.6518 91.9121 -38.4292 189.289 -1.93383 PRESSAVG: 4530400 6.14061 12.7601 70.8765 12.7602 -47.1874 -86.4901 70.8764 -86.4902 24.455 GPRESSAVG: 4530400 6.55478 10.2578 70.8448 13.7127 -47.3249 -86.1456 69.4813 -87.6515 24.5089 TIMING: 4530400 CPU: 13114.3, 0.00287506/step Wall: 13114.3, 0.00287506/step, 0.375036 hours remaining, 211.195312 MB of memory in use. ENERGY: 4530400 766.8295 2079.4446 1946.8569 102.8260 -206148.8347 17706.8987 0.0000 0.0000 34120.3937 -149425.5853 297.9819 -183545.9790 -149338.3677 298.2892 -75.2849 -45.0649 557969.9007 -5.5306 -5.4204 PRESSURE: 4530600 -242.789 111 -79.0082 111.001 18.7727 72.0184 -79.0092 72.0177 208.755 GPRESSURE: 4530600 -187.331 55.8291 -61.939 91.8467 37.6868 127.082 -18.9303 48.1367 229.683 PRESSAVG: 4530600 4.61108 65.6196 15.0524 65.6197 21.9568 -28.707 15.0523 -28.7071 -44.0464 GPRESSAVG: 4530600 4.21577 67.9268 15.6966 64.974 21.5487 -28.0023 14.8826 -28.1725 -43.6091 TIMING: 4530600 CPU: 13114.9, 0.00289787/step Wall: 13114.9, 0.00289787/step, 0.377851 hours remaining, 211.195312 MB of memory in use. ENERGY: 4530600 760.6114 2144.9778 1933.7794 115.6838 -206453.8023 17864.2071 0.0000 0.0000 34277.2768 -149357.2659 299.3520 -183634.5428 -149258.1155 298.4138 -5.0869 26.6797 557602.1036 -5.8262 -5.9482 PRESSURE: 4530800 -107.956 -229.181 -19.0509 -229.181 -176.472 50.7784 -19.0504 50.7766 78.4712 GPRESSURE: 4530800 -24.5943 -285.772 -83.2692 -199.59 -162.824 9.41446 10.678 109.4 74.343 PRESSAVG: 4530800 -56.1181 39.7995 31.969 39.7993 -52.5288 32.7513 31.969 32.7511 117.06 GPRESSAVG: 4530800 -56.3553 38.9623 32.3488 40.3172 -51.9686 31.3535 32.3907 33.6722 116.779 TIMING: 4530800 CPU: 13115.4, 0.00289068/step Wall: 13115.4, 0.00289068/step, 0.376753 hours remaining, 211.195312 MB of memory in use. ENERGY: 4530800 758.1745 2121.4236 1908.2574 109.3804 -205910.5987 17437.1732 0.0000 0.0000 34218.1693 -149358.0202 298.8358 -183576.1896 -149266.1349 298.7924 -68.6523 -37.6917 556834.9817 2.8044 2.8184 PRESSURE: 4531000 -80.3674 -69.6577 -183.516 -69.658 188.482 -11.419 -183.517 -11.4181 323.346 GPRESSURE: 4531000 -37.5407 -135.904 -198.789 -53.8317 245.649 -44.7845 -228.007 -71.8923 321.12 PRESSAVG: 4531000 -37.7407 -25.2559 -12.8668 -25.2559 -3.75652 24.1412 -12.8668 24.1412 37.3889 GPRESSAVG: 4531000 -36.1199 -22.1572 -13.6426 -26.2491 -3.9137 24.9249 -12.6553 25.0211 36.3219 TIMING: 4531000 CPU: 13116, 0.00288282/step Wall: 13116, 0.00288282/step, 0.375567 hours remaining, 211.195312 MB of memory in use. ENERGY: 4531000 749.0617 2075.2510 1914.5052 119.4325 -206296.8833 17903.9982 0.0000 0.0000 34122.6691 -149411.9655 298.0018 -183534.6346 -149309.9009 298.9096 143.8204 176.4096 556765.6767 -1.3694 -1.2372 PRESSURE: 4531200 -90.7568 14.7202 99.1256 14.7206 248.963 -6.92251 99.1261 -6.92195 263.006 GPRESSURE: 4531200 -72.4588 20.2552 72.7771 -20.8902 288.276 -17.0325 95.4012 38.5477 298.67 PRESSAVG: 4531200 -8.13332 31.7166 -9.4339 31.7166 -56.5324 33.6569 -9.43386 33.6568 89.5269 GPRESSAVG: 4531200 -9.62785 28.4558 -7.54309 33.9601 -56.6324 34.5992 -12.38 30.1572 90.4651 TIMING: 4531200 CPU: 13116.6, 0.00287048/step Wall: 13116.6, 0.00287048/step, 0.3738 hours remaining, 211.195312 MB of memory in use. ENERGY: 4531200 743.1498 2101.8104 1919.6194 119.5931 -205948.6601 17804.2068 0.0000 0.0000 34087.7419 -149172.5387 297.6967 -183260.2807 -149073.9323 298.6687 140.4038 171.4960 556933.1034 8.2871 8.0683 PRESSURE: 4531400 -44.1458 47.2047 -75.4253 47.2029 33.5519 104.725 -75.4247 104.725 163.974 GPRESSURE: 4531400 -3.75552 97.6588 -89.8264 12.9769 72.857 177.823 -47.7477 69.8647 179.17 PRESSAVG: 4531400 -46.0843 -13.8274 -17.0142 -13.8275 7.46392 52.7404 -17.0142 52.7404 78.7019 GPRESSAVG: 4531400 -45.733 -11.8645 -18.555 -14.2106 7.50558 53.1517 -15.3115 54.1242 78.0535 TIMING: 4531400 CPU: 13117.2, 0.00286901/step Wall: 13117.2, 0.00286901/step, 0.373449 hours remaining, 211.195312 MB of memory in use. ENERGY: 4531400 748.7632 2059.9816 1965.4578 102.3191 -206446.6946 18022.3790 0.0000 0.0000 34360.5058 -149187.2880 300.0788 -183547.7938 -149095.9949 299.4309 51.1266 82.7571 557402.5253 13.3605 13.2753 PRESSURE: 4531600 -208.914 35.5501 -115.387 35.5515 -177.153 -100.097 -115.388 -100.097 -28.6684 GPRESSURE: 4531600 -198.552 -42.7315 -84.8566 104.861 -176.313 -86.0409 -84.6148 -29.6304 50.3496 PRESSAVG: 4531600 -26.5595 -41.8811 9.23916 -41.8811 -8.98445 6.3165 9.23912 6.31656 39.7344 GPRESSAVG: 4531600 -26.0017 -44.0015 9.17861 -40.855 -9.04061 4.51848 9.52141 7.95591 39.6461 TIMING: 4531600 CPU: 13117.7, 0.00287282/step Wall: 13117.7, 0.00287282/step, 0.373786 hours remaining, 211.398438 MB of memory in use. ENERGY: 4531600 753.7267 2049.1753 1957.2686 112.3774 -205894.8085 17596.3000 0.0000 0.0000 34296.2793 -149129.6811 299.5179 -183425.9603 -149033.9912 299.5293 -138.2453 -108.1716 557823.0591 1.3968 1.5346 PRESSURE: 4531800 -213.852 -76.1241 -96.6991 -76.1255 -85.2259 24.9862 -96.6998 24.9851 -130.578 GPRESSURE: 4531800 -184.817 -29.2702 -157.699 -8.64808 -44.5382 -70.5034 -83.0994 32.1839 -123.197 PRESSAVG: 4531800 -23.9712 -5.62422 -10.4339 -5.62412 10.5677 -21.3029 -10.4338 -21.303 -1.71547 GPRESSAVG: 4531800 -25.3674 -4.52749 -10.1017 -6.9197 11.6113 -21.5286 -9.66571 -22.3174 -1.98248 TIMING: 4531800 CPU: 13118.3, 0.00286314/step Wall: 13118.3, 0.00286314/step, 0.372367 hours remaining, 211.398438 MB of memory in use. ENERGY: 4531800 793.9109 2100.0075 1924.0951 112.2180 -206132.2260 17728.6016 0.0000 0.0000 34426.4114 -149046.9815 300.6544 -183473.3929 -148949.3416 299.7781 -143.2187 -117.5177 556838.9456 -5.0396 -5.2462 PRESSURE: 4532000 -76.8664 -112.284 -42.2698 -112.283 47.5803 -48.1241 -42.2698 -48.1245 -217.774 GPRESSURE: 4532000 -67.734 -111.898 -56.2933 -2.56467 76.3092 -82.3393 -66.9962 -124.872 -156.422 PRESSAVG: 4532000 -60.0109 -10.4622 -14.7039 -10.4621 75.5086 33.4268 -14.7039 33.4269 -2.74237 GPRESSAVG: 4532000 -59.1823 -10.0792 -15.4647 -10.0879 75.3933 34.9082 -14.2126 32.7458 -3.27134 TIMING: 4532000 CPU: 13118.9, 0.00287919/step Wall: 13118.9, 0.00287919/step, 0.374295 hours remaining, 211.398438 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: 4532000 765.6772 2142.7416 1951.4800 118.7213 -205623.3808 17444.4512 0.0000 0.0000 34168.7332 -149031.5762 298.4040 -183200.3094 -148941.4132 299.5812 -82.3535 -49.2824 556747.0460 4.2518 4.3132 PRESSURE: 4532200 -21.9502 10.4889 -2.43045 10.489 164.711 -49.183 -2.43018 -49.1823 -105.002 GPRESSURE: 4532200 101.049 -41.3373 -35.8937 67.5631 114.391 41.9416 7.51092 21.8242 -80.9951 PRESSAVG: 4532200 -27.4888 11.7095 9.71746 11.7096 33.7351 -10.6284 9.71753 -10.6284 -65.6192 GPRESSAVG: 4532200 -26.9489 11.8355 9.89513 11.7071 33.4377 -10.3423 9.60282 -10.5383 -65.9283 TIMING: 4532200 CPU: 13119.5, 0.00289719/step Wall: 13119.5, 0.00289719/step, 0.376474 hours remaining, 211.398438 MB of memory in use. ENERGY: 4532200 749.6405 2081.8406 1928.1252 125.6026 -206358.2829 18017.2649 0.0000 0.0000 34210.8284 -149244.9808 298.7717 -183455.8091 -149149.6569 299.2622 12.5861 44.8147 556941.2728 -19.7909 -19.8132 LDB: ============= START OF LOAD BALANCING ============== 13122.9 LDB: ============== END OF LOAD BALANCING =============== 13122.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13122.9 LDB: ============= START OF LOAD BALANCING ============== 13123.1 LDB: Largest compute 4773 load 0.024437 is 20.7% of average load 0.118077 LDB: Average compute 0.001723 is 1.5% of average load 0.118077 LDB: TIME 13123.1 LOAD: AVG 0.118077 MAX 0.177921 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 13123.1 LOAD: AVG 0.118077 MAX 0.177921 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.867 MB LDB: TIME 13123.1 LOAD: AVG 0.118077 MAX 0.177921 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13123.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13123.2 PRESSURE: 4532400 113.608 138.739 -58.3297 138.738 252.622 131.808 -58.3291 131.81 -86.7047 GPRESSURE: 4532400 149.005 160.731 26.8531 73.7702 267.891 237.073 -26.1834 22.0567 -29.9113 PRESSAVG: 4532400 -51.0619 35.5996 -26.8315 35.5996 43.5396 -42.4509 -26.8314 -42.451 -22.1311 GPRESSAVG: 4532400 -50.7643 36.0197 -26.0792 34.5422 43.4255 -42.0039 -26.7316 -43.6675 -22.9183 TIMING: 4532400 CPU: 13120.1, 0.00294649/step Wall: 13120.1, 0.0029465/step, 0.382717 hours remaining, 211.437500 MB of memory in use. ENERGY: 4532400 713.5209 2121.6066 1938.9654 110.1217 -206269.1181 17829.5654 0.0000 0.0000 34273.0107 -149282.3274 299.3147 -183555.3381 -149186.8495 299.1798 93.1753 128.9952 557132.7182 -9.8845 -10.0857 PRESSURE: 4532600 -102.393 233.798 -135.227 233.797 -46.1159 91.9509 -135.228 91.9514 -118.602 GPRESSURE: 4532600 -63.6861 146.28 -87.9024 223.447 -41.1542 101.937 -199.397 68.7013 -76.6632 PRESSAVG: 4532600 23.9852 -9.53173 -12.977 -9.53174 -55.6696 11.1129 -12.977 11.1129 5.37482 GPRESSAVG: 4532600 22.4252 -10.3861 -13.2333 -7.97743 -54.9173 7.95855 -14.4104 11.5079 6.29727 TIMING: 4532600 CPU: 13120.6, 0.00289429/step Wall: 13120.6, 0.00289429/step, 0.375775 hours remaining, 211.636719 MB of memory in use. ENERGY: 4532600 742.2272 2147.0448 1920.8851 115.6287 -205884.2476 17519.5375 0.0000 0.0000 34286.3473 -149152.5770 299.4312 -183438.9243 -149055.2598 299.2079 -89.0370 -60.5012 556343.1324 -8.7699 -8.7316 PRESSURE: 4532800 -125.358 -45.8592 20.6539 -45.859 -34.429 -81.587 20.6545 -81.5861 -131.484 GPRESSURE: 4532800 -99.5792 49.5867 17.1719 -98.2163 -35.0327 -64.0237 19.503 -77.6151 -54.8488 PRESSAVG: 4532800 -39.3073 49.4296 19.3143 49.4297 9.24131 49.4281 19.3143 49.4282 37.7908 GPRESSAVG: 4532800 -38.7629 50.9729 18.4903 47.9092 6.96496 51.7746 20.9216 50.3529 39.2267 TIMING: 4532800 CPU: 13121.2, 0.00286064/step Wall: 13121.2, 0.00286064/step, 0.371248 hours remaining, 211.636719 MB of memory in use. ENERGY: 4532800 777.0403 2030.8045 1946.6962 106.2567 -206150.3132 17600.3728 0.0000 0.0000 34597.7617 -149091.3811 302.1509 -183689.1427 -148984.9868 300.3339 -97.0901 -63.1535 557287.5641 2.5749 2.4763 PRESSURE: 4533000 -263.323 147.078 71.2085 147.078 -110.323 87.0948 71.2083 87.0927 -253.955 GPRESSURE: 4533000 -198.546 236.992 47.2071 167.03 -86.7727 4.62545 107.335 166.815 -257.871 PRESSAVG: 4533000 30.0327 8.50625 10.4932 8.50622 -14.0379 19.1929 10.4931 19.1929 38.2564 GPRESSAVG: 4533000 30.5847 6.6902 10.9286 9.81704 -13.0019 18.0849 9.50455 19.39 37.1807 TIMING: 4533000 CPU: 13121.8, 0.00288138/step Wall: 13121.8, 0.00288138/step, 0.373779 hours remaining, 211.636719 MB of memory in use. ENERGY: 4533000 769.8312 2092.2702 1966.7972 106.6308 -205547.9881 17488.5384 0.0000 0.0000 34290.2255 -148833.6949 299.4651 -183123.9203 -148737.7343 300.1417 -209.2004 -181.0632 558633.1541 18.0837 18.2545 PRESSURE: 4533200 8.98212 21.192 38.158 21.1927 -95.0181 140.675 38.1591 140.675 5.72417 GPRESSURE: 4533200 28.637 45.1823 15.1125 41.0668 -109.698 70.3731 1.35689 139.259 92.4237 PRESSAVG: 4533200 59.498 43.6588 55.6462 43.6588 -36.3623 -3.42127 55.6462 -3.42133 -25.7103 GPRESSAVG: 4533200 58.8803 44.9049 56.2906 41.9417 -35.7327 -3.44922 55.1802 -3.20882 -25.7004 TIMING: 4533200 CPU: 13122.4, 0.00288052/step Wall: 13122.4, 0.00288052/step, 0.373507 hours remaining, 211.636719 MB of memory in use. ENERGY: 4533200 727.7905 2109.1253 1938.6750 102.9782 -205871.7030 17718.2121 0.0000 0.0000 34455.4433 -148819.4786 300.9080 -183274.9219 -148716.0346 300.5481 -26.7706 3.7876 557266.1667 -0.8582 -0.8510 PRESSURE: 4533400 -95.6613 140.686 -115.368 140.687 -13.5552 -173.347 -115.369 -173.347 -62.5883 GPRESSURE: 4533400 -86.6004 113.962 -92.5929 145.361 18.1273 -120.62 -199.241 -115.128 -8.32891 PRESSAVG: 4533400 58.6797 32.6863 -50.3725 32.6863 26.1924 -34.7332 -50.3726 -34.7332 -18.6963 GPRESSAVG: 4533400 57.8284 31.5953 -51.8532 32.7039 25.7661 -32.8435 -50.6902 -36.538 -17.7287 TIMING: 4533400 CPU: 13122.9, 0.00286366/step Wall: 13122.9, 0.00286366/step, 0.371162 hours remaining, 211.636719 MB of memory in use. ENERGY: 4533400 772.3026 2066.5977 1950.5760 105.3717 -206101.4054 17815.2868 0.0000 0.0000 34411.6802 -148979.5905 300.5258 -183391.2707 -148880.9193 300.4563 -57.2682 -25.6007 557960.6872 22.0586 21.9553 PRESSURE: 4533600 -51.3123 136.809 -6.1428 136.81 -410.156 -94.0812 -6.142 -94.0819 -192.344 GPRESSURE: 4533600 -16.7406 184.478 -44.4666 127.479 -366.572 -187.9 -41.4292 9.77047 -181.868 PRESSAVG: 4533600 5.21989 29.7912 -51.8141 29.7912 0.350272 -23.3098 -51.8142 -23.3099 16.4093 GPRESSAVG: 4533600 6.29022 29.9078 -52.7996 31.4716 0.813219 -25.6988 -50.2576 -20.4413 15.4188 TIMING: 4533600 CPU: 13123.5, 0.00285915/step Wall: 13123.5, 0.00285915/step, 0.370419 hours remaining, 211.636719 MB of memory in use. ENERGY: 4533600 776.6139 2131.9249 1937.2118 116.5666 -205827.0436 17429.9102 0.0000 0.0000 34401.9530 -149032.8632 300.4408 -183434.8162 -148929.1306 300.3643 -217.9376 -188.3936 557565.1164 7.3265 7.5074 PRESSURE: 4533800 42.1884 93.5595 26.5748 93.5599 -107.259 -118.069 26.5749 -118.069 -14.8475 GPRESSURE: 4533800 77.738 82.9562 86.9001 90.8156 -57.6198 -117.741 -46.2161 -67.0729 -3.70122 PRESSAVG: 4533800 -12.4089 46.684 14.9766 46.684 21.999 -61.697 14.9766 -61.697 17.0838 GPRESSAVG: 4533800 -12.8755 46.3541 16.41 45.1871 21.8892 -59.4611 14.4477 -62.3983 17.3488 TIMING: 4533800 CPU: 13124.1, 0.00285196/step Wall: 13124.1, 0.00285196/step, 0.369329 hours remaining, 211.636719 MB of memory in use. ENERGY: 4533800 732.2891 2127.4748 1937.3473 120.0785 -205847.8125 17630.9602 0.0000 0.0000 34299.0243 -149000.6382 299.5419 -183299.6625 -148903.6307 299.5889 -26.6393 5.4723 557567.2553 8.8913 8.7875 PRESSURE: 4534000 -83.5718 -210.008 30.3031 -210.007 113.052 120.426 30.3026 120.426 159.464 GPRESSURE: 4534000 -6.99512 -153.373 3.15121 -229.672 78.9348 61.0461 74.8316 109.355 215.486 PRESSAVG: 4534000 -16.8608 -25.8087 13.995 -25.8087 54.7463 -18.6179 13.9949 -18.618 -7.22307 GPRESSAVG: 4534000 -15.8247 -23.1232 12.3924 -25.8997 53.6279 -18.5727 14.7452 -19.3797 -7.43163 TIMING: 4534000 CPU: 13124.7, 0.00287413/step Wall: 13124.7, 0.00287413/step, 0.372041 hours remaining, 211.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4534000 727.7601 2081.8361 1912.8773 116.6340 -205587.4237 17570.8640 0.0000 0.0000 34131.5775 -149045.8747 298.0796 -183177.4522 -148954.8127 299.6056 62.9812 95.8085 557224.7716 10.2208 10.1238 PRESSURE: 4534200 112.295 29.8725 -8.24263 29.8721 10.6545 -114.786 -8.24252 -114.786 148.618 GPRESSURE: 4534200 181.159 -14.9421 -8.20243 7.20058 11.7267 -130.713 -5.9191 -101.156 182.871 PRESSAVG: 4534200 -63.9353 28.4829 -21.9431 28.4829 59.3999 -6.00062 -21.9431 -6.0006 10.9732 GPRESSAVG: 4534200 -65.6611 29.5476 -20.9096 27.2916 60.78 -5.9696 -23.2472 -4.93216 11.7666 TIMING: 4534200 CPU: 13125.2, 0.00288397/step Wall: 13125.2, 0.00288397/step, 0.373154 hours remaining, 211.636719 MB of memory in use. ENERGY: 4534200 722.0523 2114.3658 1954.7227 113.9008 -206533.7451 18079.8278 0.0000 0.0000 34613.2637 -148935.6120 302.2862 -183548.8756 -148840.0434 299.7126 90.5227 125.2521 558258.7011 2.1459 2.2951 PRESSURE: 4534400 78.1617 -1.1964 -74.1321 -1.19673 -111.506 -33.4223 -74.1322 -33.4225 -46.0024 GPRESSURE: 4534400 105.593 19.0403 -18.0474 -35.1475 -93.2266 -49.0956 -60.193 -13.205 -1.15318 PRESSAVG: 4534400 -24.0171 -31.7165 -14.7041 -31.7165 -15.8323 -43.0485 -14.704 -43.0486 29.7523 GPRESSAVG: 4534400 -23.4892 -32.3067 -14.9443 -30.7501 -15.7802 -44.4116 -12.5826 -41.6575 28.7402 TIMING: 4534400 CPU: 13125.8, 0.0028875/step Wall: 13125.8, 0.0028875/step, 0.37345 hours remaining, 211.636719 MB of memory in use. ENERGY: 4534400 745.3671 2101.2108 1961.0157 104.3543 -206222.6759 17626.0312 0.0000 0.0000 34660.9817 -149023.7152 302.7030 -183684.6969 -148926.5436 300.2316 -26.4490 3.7378 556419.6866 -3.3657 -3.5097 PRESSURE: 4534600 -147.618 236.396 -26.5048 236.396 7.75928 -116.418 -26.505 -116.416 110.821 GPRESSURE: 4534600 -113.619 192.294 -78.8313 244.764 42.8721 -28.082 20.5432 -113.835 136.957 PRESSAVG: 4534600 -7.77595 35.0583 -74.7663 35.0584 61.5424 30.1305 -74.7664 30.1305 -0.792655 GPRESSAVG: 4534600 -7.5171 33.5978 -72.8172 37.3889 60.0711 30.4626 -77.0446 29.8127 -0.248462 TIMING: 4534600 CPU: 13126.4, 0.00287702/step Wall: 13126.4, 0.00287702/step, 0.371935 hours remaining, 211.636719 MB of memory in use. ENERGY: 4534600 733.5372 2127.7402 1942.9933 114.6772 -206172.8116 17819.6438 0.0000 0.0000 34425.7049 -149008.5150 300.6482 -183434.2199 -148909.1199 300.0726 -9.6794 22.0701 558418.9813 17.6579 17.4352 PRESSURE: 4534800 134.672 -6.93104 -169.331 -6.93017 -2.4412 131.145 -169.332 131.146 197.474 GPRESSURE: 4534800 165.131 12.4997 -116.64 -10.6541 44.9943 75.2671 -147.173 167.85 202.172 PRESSAVG: 4534800 -21.6919 80.9053 -1.07283 80.9052 25.2727 74.5342 -1.07291 74.5342 -19.63 GPRESSAVG: 4534800 -22.7467 81.1284 -0.0335094 81.4788 26.2107 73.7257 1.02557 73.7624 -19.6153 TIMING: 4534800 CPU: 13127, 0.00286606/step Wall: 13127, 0.00286606/step, 0.370359 hours remaining, 211.636719 MB of memory in use. ENERGY: 4534800 725.2858 2114.2344 1949.9445 123.5323 -206098.5106 17880.4108 0.0000 0.0000 34261.6119 -149043.4908 299.2152 -183305.1028 -148943.3752 299.6430 109.9014 137.4325 558165.1790 -5.3497 -5.3838 PRESSURE: 4535000 -36.4137 -13.9161 -202.747 -13.9145 234.494 -101.32 -202.746 -101.319 72.1159 GPRESSURE: 4535000 57.3166 -36.1241 -182.857 -0.564933 278.356 -43.5416 -142.575 -116.542 35.7623 PRESSAVG: 4535000 -33.0573 1.11882 14.9846 1.11882 0.81672 -10.7319 14.9846 -10.7321 -13.8426 GPRESSAVG: 4535000 -32.6298 0.787118 14.2237 -1.92331 1.01216 -12.1847 13.7144 -9.89452 -14.6094 TIMING: 4535000 CPU: 13127.5, 0.00286351/step Wall: 13127.5, 0.00286351/step, 0.36987 hours remaining, 211.636719 MB of memory in use. ENERGY: 4535000 767.3372 2059.6342 1927.3680 113.5995 -206282.5827 18022.2901 0.0000 0.0000 34430.9393 -148961.4145 300.6940 -183392.3537 -148872.8643 300.3290 90.0654 123.8115 557782.0106 -15.3611 -15.4090 PRESSURE: 4535200 -329.008 -91.9213 -209.015 -91.9213 -15.8977 134.98 -209.015 134.98 -198.657 GPRESSURE: 4535200 -255.178 -80.5788 -276.116 -101.081 -8.13143 124.374 -182.659 80.0619 -193.063 PRESSAVG: 4535200 -40.3275 -7.5777 -34.8566 -7.57778 21.7269 19.8825 -34.8565 19.8825 23.2813 GPRESSAVG: 4535200 -41.2994 -7.2978 -35.803 -6.32531 20.6019 22.3347 -33.4067 17.5467 25.1921 TIMING: 4535200 CPU: 13128.1, 0.00287045/step Wall: 13128.1, 0.00287045/step, 0.370607 hours remaining, 211.636719 MB of memory in use. ENERGY: 4535200 739.3676 2124.8314 1941.0014 104.1971 -205863.2335 17549.2346 0.0000 0.0000 34473.6563 -148930.9451 301.0670 -183404.6013 -148836.6334 300.4169 -181.1878 -152.1242 558281.2193 1.5602 1.4982 PRESSURE: 4535400 -213.309 -30.4704 80.5263 -30.4723 -142.112 203.883 80.5263 203.882 131.024 GPRESSURE: 4535400 -197.18 -57.8747 37.6536 1.18826 -43.8915 246.083 99.4463 113.589 104.804 PRESSAVG: 4535400 -48.9019 -49.01 -44.9787 -49.01 99.0442 75.9024 -44.9788 75.9025 -20.8689 GPRESSAVG: 4535400 -47.5305 -47.356 -43.2395 -50.388 99.0163 74.0026 -46.9131 78.211 -21.6991 TIMING: 4535400 CPU: 13128.7, 0.00287087/step Wall: 13128.7, 0.00287087/step, 0.370502 hours remaining, 211.636719 MB of memory in use. ENERGY: 4535400 730.0836 2111.0964 1956.1255 110.8733 -205870.1786 17680.1740 0.0000 0.0000 34380.3289 -148901.4967 300.2520 -183281.8257 -148810.3713 299.9790 -74.7991 -45.4225 558402.1718 9.7578 9.9289 PRESSURE: 4535600 -12.5357 -213.224 -165.472 -213.224 214.739 61.6298 -165.474 61.6303 -174.886 GPRESSURE: 4535600 44.9374 -231.695 -83.2431 -134.965 127.557 -5.15919 -171.172 72.3396 -63.0154 PRESSAVG: 4535600 -68.3482 -25.0564 4.82501 -25.0565 51.4478 41.217 4.82501 41.217 -19.8059 GPRESSAVG: 4535600 -69.2615 -26.4289 3.74468 -23.6853 51.8566 39.8792 5.41936 40.5137 -19.2795 TIMING: 4535600 CPU: 13129.2, 0.00286928/step Wall: 13129.2, 0.00286928/step, 0.370137 hours remaining, 211.636719 MB of memory in use. ENERGY: 4535600 727.3849 2163.5642 1923.5822 108.7233 -205841.3521 17779.3746 0.0000 0.0000 34171.3741 -148967.3488 298.4271 -183138.7229 -148876.4334 300.2686 9.1056 36.4931 557060.7474 -12.2354 -12.2281 PRESSURE: 4535800 -162.171 9.40327 -90.1318 9.40414 11.685 69.7946 -90.1318 69.7945 -243.874 GPRESSURE: 4535800 -154.641 9.61633 -91.2301 -30.6787 51.585 73.4856 -33.5889 61.3639 -195.607 PRESSAVG: 4535800 -63.8178 -9.47199 -13.4841 -9.4721 65.4061 -17.589 -13.4841 -17.5892 -23.0374 GPRESSAVG: 4535800 -64.1444 -11.1697 -11.3323 -8.63776 65.9247 -14.8369 -12.6554 -18.2769 -22.6399 TIMING: 4535800 CPU: 13129.8, 0.00289088/step Wall: 13129.8, 0.00289088/step, 0.372763 hours remaining, 211.636719 MB of memory in use. ENERGY: 4535800 779.2104 2118.7393 1914.8079 117.7888 -206022.8084 17515.8637 0.0000 0.0000 34746.2045 -148830.1939 303.4472 -183576.3984 -148740.1338 299.7848 -131.4534 -99.5544 557382.7453 -7.1497 -6.9532 PRESSURE: 4536000 33.8706 -66.9428 155.362 -66.9421 136.995 2.48862 155.363 2.49106 -70.8233 GPRESSURE: 4536000 28.4405 -55.0188 171.782 -28.7284 178.566 0.286325 110.494 -32.987 -8.39966 PRESSAVG: 4536000 27.9821 46.5477 -36.7011 46.5477 1.66761 0.601317 -36.7011 0.601272 -55.3006 GPRESSAVG: 4536000 29.3535 48.0638 -37.206 46.6005 1.21355 1.29335 -38.9609 0.878555 -56.673 TIMING: 4536000 CPU: 13130.4, 0.00288299/step Wall: 13130.4, 0.00288299/step, 0.371585 hours remaining, 211.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4536000 736.4706 2087.6664 1949.6984 117.5497 -205945.6111 17777.2731 0.0000 0.0000 34356.0092 -148920.9436 300.0396 -183276.9529 -148829.0272 300.7585 33.3474 66.2024 559022.3489 -8.5503 -8.7020 PRESSURE: 4536200 -217.147 -46.5373 72.4568 -46.5368 75.4051 -51.7038 72.456 -51.7046 -9.02478 GPRESSURE: 4536200 -163.826 -67.8885 44.6968 -36.1343 91.7312 13.1198 105.825 -107.676 11.3199 PRESSAVG: 4536200 38.7342 23.4667 -17.9157 23.4667 27.4246 42.4777 -17.9157 42.4778 -4.37182 GPRESSAVG: 4536200 37.7087 23.3789 -20.1812 22.8346 27.4557 43.086 -17.6668 40.6968 -3.29232 TIMING: 4536200 CPU: 13131, 0.00287802/step Wall: 13131, 0.00287802/step, 0.370785 hours remaining, 211.636719 MB of memory in use. ENERGY: 4536200 748.9217 2080.1152 1961.2254 110.4718 -205788.4226 17771.3539 0.0000 0.0000 34260.0951 -148856.2395 299.2019 -183116.3346 -148766.0655 300.2794 -50.2555 -20.2584 557710.0696 20.5956 20.6240 LDB: ============= START OF LOAD BALANCING ============== 13134.4 LDB: ============== END OF LOAD BALANCING =============== 13134.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13134.4 LDB: ============= START OF LOAD BALANCING ============== 13134.7 LDB: Largest compute 4772 load 0.025522 is 21.6% of average load 0.118139 LDB: Average compute 0.001717 is 1.5% of average load 0.118139 LDB: TIME 13134.7 LOAD: AVG 0.118139 MAX 0.18158 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.41 MB LDB: TIME 13134.7 LOAD: AVG 0.118139 MAX 0.18158 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.41 MB LDB: TIME 13134.7 LOAD: AVG 0.118139 MAX 0.18158 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.41 MB LDB: ============== END OF LOAD BALANCING =============== 13134.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13134.7 PRESSURE: 4536400 -415.709 -3.13386 -71.1218 -3.13414 -73.5998 41.548 -71.1216 41.5496 -85.2494 GPRESSURE: 4536400 -376.756 20.2116 -83.1788 12.5207 -27.797 -16.9754 -59.2136 71.6789 -81.2079 PRESSAVG: 4536400 34.6694 -4.83767 15.6868 -4.83769 -58.4799 72.8187 15.6869 72.8188 19.442 GPRESSAVG: 4536400 36.2094 -2.68266 17.7723 -6.7748 -58.5844 68.5085 14.4575 74.11 17.7095 TIMING: 4536400 CPU: 13131.6, 0.00291827/step Wall: 13131.6, 0.00291827/step, 0.375808 hours remaining, 211.492188 MB of memory in use. ENERGY: 4536400 734.3450 2066.7631 1921.5433 111.7522 -205706.4992 17460.2645 0.0000 0.0000 34332.3558 -149079.4753 299.8330 -183411.8311 -148981.8670 299.9754 -191.5195 -161.9204 557813.6883 -1.4562 -1.5552 PRESSURE: 4536600 -111.677 92.5481 108.358 92.5463 -170.486 -56.2607 108.358 -56.2605 95.3566 GPRESSURE: 4536600 -59.5768 136.458 186.167 130.404 -102.867 -14.0547 53.1528 -52.8924 63.7867 PRESSAVG: 4536600 14.0537 -18.4911 -7.77991 -18.4912 -4.61981 50.6419 -7.77999 50.6419 39.3836 GPRESSAVG: 4536600 13.4958 -18.6759 -8.55262 -16.5275 -5.368 55.4092 -7.04038 49.2394 41.0094 TIMING: 4536600 CPU: 13132.1, 0.00286805/step Wall: 13132.1, 0.00286805/step, 0.369182 hours remaining, 211.562500 MB of memory in use. ENERGY: 4536600 714.8969 2057.6476 1930.0280 115.0485 -206017.7035 17728.2863 0.0000 0.0000 34136.4276 -149335.3686 298.1219 -183471.7962 -149235.2800 299.0147 -62.2689 -32.8857 558491.4333 16.2725 16.3791 PRESSURE: 4536800 66.6077 72.4062 46.726 72.4063 99.209 -45.7139 46.7264 -45.7132 -242.498 GPRESSURE: 4536800 103.365 43.1654 52.4522 54.6793 117.64 19.1933 -4.38017 -44.3339 -198.379 PRESSAVG: 4536800 13.1067 43.6573 8.59957 43.6573 -57.7443 -15.0381 8.59961 -15.0382 1.23654 GPRESSAVG: 4536800 12.213 44.8248 8.21631 43.4289 -56.5373 -17.6691 8.70727 -12.8523 0.192642 TIMING: 4536800 CPU: 13132.7, 0.00289342/step Wall: 13132.7, 0.00289342/step, 0.372286 hours remaining, 211.562500 MB of memory in use. ENERGY: 4536800 729.8072 2091.7782 1933.4623 116.9427 -206400.1552 17826.5949 0.0000 0.0000 34210.8740 -149490.6960 298.7721 -183701.5700 -149392.4050 297.9928 -25.5604 7.5418 556576.4282 -14.4670 -14.7106 PRESSURE: 4537000 -33.595 -144.483 -128.422 -144.483 -311.477 -74.8918 -128.423 -74.8915 -425.452 GPRESSURE: 4537000 -28.1131 -153.785 -169.689 -127.801 -309.951 -117.195 -75.385 -118.49 -342.528 PRESSAVG: 4537000 -31.878 -19.7325 -12.3157 -19.7325 27.0074 16.6387 -12.3157 16.6387 -8.26348 GPRESSAVG: 4537000 -31.7755 -21.7112 -13.4498 -20.4033 26.645 16.8934 -10.9615 16.4314 -7.33929 TIMING: 4537000 CPU: 13133.3, 0.00288182/step Wall: 13133.3, 0.00288182/step, 0.370634 hours remaining, 211.562500 MB of memory in use. ENERGY: 4537000 766.4883 2107.4362 1934.1415 120.4481 -205816.6689 17404.0604 0.0000 0.0000 34172.7532 -149311.3412 298.4392 -183484.0945 -149224.3630 298.9054 -256.8414 -226.8638 557746.9067 -4.3780 -4.1566 PRESSURE: 4537200 -363.859 -14.8928 -32.5419 -14.8933 -320.238 37.1651 -32.5406 37.1663 -256.79 GPRESSURE: 4537200 -318.81 -130.098 -50.3285 -38.735 -245.447 34.5755 -113.863 63.8548 -285.982 PRESSAVG: 4537200 59.7287 -22.628 -47.5009 -22.6279 -12.5206 99.7343 -47.5009 99.7343 -11.5618 GPRESSAVG: 4537200 60.165 -22.3794 -43.8868 -22.611 -13.6752 97.6906 -51.1194 100.075 -11.1053 TIMING: 4537200 CPU: 13133.9, 0.00287686/step Wall: 13133.9, 0.00287686/step, 0.369837 hours remaining, 211.562500 MB of memory in use. ENERGY: 4537200 748.8199 2062.2754 1955.5748 123.4867 -205886.1862 17379.7500 0.0000 0.0000 34259.6203 -149356.6592 299.1978 -183616.2795 -149255.3714 299.4614 -313.6291 -283.4132 556799.6524 11.8821 11.7948 PRESSURE: 4537400 104.399 37.4036 19.7651 37.4026 -155.993 -51.5048 19.7643 -51.502 -101.077 GPRESSURE: 4537400 92.818 0.0596647 -10.0813 31.2595 -118.568 -50.048 110.008 -69.525 -25.688 PRESSAVG: 4537400 14.3858 6.24246 25.2388 6.24244 -16.4792 -1.06056 25.2388 -1.06056 -10.242 GPRESSAVG: 4537400 13.7746 5.62137 22.2224 6.07924 -15.4868 3.88239 28.6605 -3.41921 -10.723 TIMING: 4537400 CPU: 13134.4, 0.00288628/step Wall: 13134.4, 0.00288628/step, 0.370886 hours remaining, 211.562500 MB of memory in use. ENERGY: 4537400 739.7778 2131.1076 1936.9431 106.7572 -206477.6804 17826.7534 0.0000 0.0000 34158.7114 -149577.6299 298.3165 -183736.3412 -149475.6505 298.5358 -50.8901 -17.1459 555864.9012 -4.1118 -4.1451 PRESSURE: 4537600 105.809 93.1676 15.8337 93.166 381.726 95.9884 15.8343 95.9885 -45.4886 GPRESSURE: 4537600 150.82 92.7759 -20.8198 125.586 440.1 -18.1052 -61.3448 82.3088 -51.2397 PRESSAVG: 4537600 -8.259 5.80664 29.2445 5.80672 -10.6082 -5.306 29.2445 -5.3061 14.038 GPRESSAVG: 4537600 -8.07974 6.81935 29.9405 7.11274 -10.0736 -8.04407 27.246 -3.96552 13.9573 TIMING: 4537600 CPU: 13135, 0.00288235/step Wall: 13135, 0.00288235/step, 0.370222 hours remaining, 211.562500 MB of memory in use. ENERGY: 4537600 735.6279 2065.4267 1924.3440 112.2308 -206753.4885 18106.0842 0.0000 0.0000 34208.9462 -149600.8287 298.7552 -183809.7749 -149505.1408 298.6360 147.3489 179.8932 556635.3021 -1.6097 -1.3987 PRESSURE: 4537800 134.394 131.854 -100.505 131.854 86.7064 -61.7522 -100.505 -61.7509 -51.8758 GPRESSURE: 4537800 137.751 114.524 -184.12 104.743 134 -58.5545 -41.8061 -44.013 -19.4089 PRESSAVG: 4537800 -36.4934 54.0935 37.6616 54.0935 41.7005 61.8937 37.6616 61.8936 -22.2352 GPRESSAVG: 4537800 -36.4018 53.4288 36.2305 52.6718 41.1328 59.9565 39.7114 62.7372 -22.1843 TIMING: 4537800 CPU: 13135.6, 0.00285837/step Wall: 13135.6, 0.00285837/step, 0.366983 hours remaining, 211.562500 MB of memory in use. ENERGY: 4537800 717.2604 2089.5424 1939.8931 115.8559 -206503.1659 18029.6494 0.0000 0.0000 33967.9980 -149642.9667 296.6510 -183610.9647 -149548.5565 297.6714 56.4082 84.1140 556636.7121 -5.6761 -5.8178 PRESSURE: 4538000 -223.807 -120.115 42.1687 -120.116 -165.255 31.3984 42.1693 31.3979 198.683 GPRESSURE: 4538000 -201.548 -206.277 27.778 -67.1156 -79.6878 44.8612 7.10348 35.0318 193.524 PRESSAVG: 4538000 -68.2544 -50.6346 -22.7021 -50.6346 40.0938 -14.2948 -22.7022 -14.2947 -13.8848 GPRESSAVG: 4538000 -66.8361 -50.5956 -21.0872 -50.0983 38.9632 -13.0764 -24.4288 -15.2149 -13.8103 TIMING: 4538000 CPU: 13136.2, 0.00286343/step Wall: 13136.2, 0.00286343/step, 0.367473 hours remaining, 211.562500 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: 4538000 767.9969 2076.2725 1931.9791 112.3924 -206507.0781 17776.8251 0.0000 0.0000 34190.3888 -149651.2232 298.5932 -183841.6120 -149546.3525 297.8516 -63.4597 -29.2372 556430.1285 -14.0151 -13.8944 PRESSURE: 4538200 -85.8276 -35.5339 234.847 -35.5344 315.279 19.7638 234.847 19.7635 -314.497 GPRESSURE: 4538200 -40.1207 -30.7373 172.149 -75.1612 287.848 15.8011 346.746 -83.1664 -242.644 PRESSAVG: 4538200 4.47706 -26.9046 4.3657 -26.9046 53.2672 -42.8918 4.36567 -42.8919 -55.4948 GPRESSAVG: 4538200 3.36377 -27.0357 3.59995 -28.0999 53.1899 -42.5549 7.82731 -43.5969 -55.2172 TIMING: 4538200 CPU: 13136.7, 0.00288336/step Wall: 13136.7, 0.00288336/step, 0.369872 hours remaining, 211.562500 MB of memory in use. ENERGY: 4538200 717.9664 2110.7152 1911.7264 115.0620 -206524.2212 17819.6157 0.0000 0.0000 34284.0349 -149565.1006 299.4110 -183849.1355 -149471.6490 298.4281 -28.3487 1.6946 557174.8999 0.7498 0.4455 PRESSURE: 4538400 -202.626 63.0873 13.076 63.0884 -185.643 -51.5261 13.0746 -51.5261 -238.506 GPRESSURE: 4538400 -235.594 25.467 17.1257 148.322 -126.209 -52.1818 -6.85085 -56.6599 -175.493 PRESSAVG: 4538400 22.2985 16.7149 -5.43248 16.7151 -24.22 -0.0718945 -5.43248 -0.071959 -28.6668 GPRESSAVG: 4538400 21.2104 17.1518 -5.05387 18.8875 -22.6001 -1.17415 -6.4125 -0.321043 -29.1705 TIMING: 4538400 CPU: 13137.3, 0.00286864/step Wall: 13137.3, 0.00286864/step, 0.367823 hours remaining, 211.562500 MB of memory in use. ENERGY: 4538400 737.6013 2087.9734 1934.2275 118.3205 -206170.2839 17542.0059 0.0000 0.0000 34247.3096 -149502.8458 299.0903 -183750.1554 -149403.1378 298.0666 -208.9249 -179.0989 557837.6538 -10.1961 -10.1867 PRESSURE: 4538600 -140.313 -136.768 -66.6686 -136.768 -62.8016 13.2611 -66.6687 13.2608 -452.133 GPRESSURE: 4538600 -129.377 -64.5674 -0.829929 -180.872 -2.8544 86.6992 -90.0957 -68.5798 -426.029 PRESSAVG: 4538600 27.3038 5.59579 -9.34794 5.59588 -28.5711 -9.03789 -9.34794 -9.03793 28.0994 GPRESSAVG: 4538600 28.9451 5.50449 -8.13049 3.48419 -28.5811 -6.36081 -9.26104 -7.73686 26.5182 TIMING: 4538600 CPU: 13137.9, 0.00286699/step Wall: 13137.9, 0.00286699/step, 0.367453 hours remaining, 211.562500 MB of memory in use. ENERGY: 4538600 743.2672 2112.3531 1927.4833 128.8406 -205742.2369 17455.6651 0.0000 0.0000 34156.5733 -149218.0543 298.2979 -183374.6276 -149112.2117 299.6253 -218.4159 -186.0866 557996.5329 8.9440 8.9608 PRESSURE: 4538800 -369.223 175.704 -15.9255 175.706 -147.132 -49.3306 -15.9251 -49.3314 -123.477 GPRESSURE: 4538800 -322.648 150.22 50.5896 167.864 -129.016 -75.9673 5.09063 6.28819 -104.435 PRESSAVG: 4538800 -42.4867 31.2376 -28.9448 31.2375 5.95245 33.7242 -28.9449 33.7241 12.8027 GPRESSAVG: 4538800 -45.0573 31.4401 -29.9358 32.2958 6.6396 33.3104 -30.8454 32.9092 14.3119 TIMING: 4538800 CPU: 13138.5, 0.00286703/step Wall: 13138.5, 0.00286703/step, 0.367298 hours remaining, 211.562500 MB of memory in use. ENERGY: 4538800 716.0657 2110.5917 1900.5159 125.6435 -205440.3426 17351.4336 0.0000 0.0000 34223.1881 -149012.9041 298.8796 -183236.0922 -148912.6219 299.3742 -213.2774 -185.3666 556885.2178 -7.9105 -8.0353 PRESSURE: 4539000 13.0834 76.4634 -71.6727 76.4629 225.177 278.13 -71.6722 278.129 110.819 GPRESSURE: 4539000 41.9109 96.6253 -6.35892 23.3297 278.965 257.681 -166.884 327.121 138.99 PRESSAVG: 4539000 -44.1433 5.04381 -81.2224 5.04374 30.522 -0.873502 -81.2224 -0.873499 31.764 GPRESSAVG: 4539000 -41.5013 5.74544 -81.48 4.68848 29.0265 -0.987409 -81.5501 0.165894 31.2788 TIMING: 4539000 CPU: 13139, 0.00287086/step Wall: 13139, 0.00287086/step, 0.36763 hours remaining, 211.562500 MB of memory in use. ENERGY: 4539000 751.8140 2080.6140 1929.4742 112.0083 -206306.2331 17953.8339 0.0000 0.0000 34363.4692 -149115.0195 300.1047 -183478.4887 -149016.0487 299.4221 116.3597 153.2885 557486.2981 6.0476 6.2680 PRESSURE: 4539200 250.579 2.59739 -95.0301 2.59574 13.2292 64.1225 -95.0301 64.1233 16.2352 GPRESSURE: 4539200 283.684 -3.24547 -135.303 -31.4885 87.3196 27.609 -136.935 154.583 16.07 PRESSAVG: 4539200 -2.62685 -21.1907 -4.02255 -21.1907 97.6054 -15.6491 -4.02254 -15.649 -19.7918 GPRESSAVG: 4539200 -2.60043 -21.9825 -5.49951 -20.4393 97.0151 -16.8911 -1.94188 -15.5384 -19.346 TIMING: 4539200 CPU: 13139.6, 0.00286541/step Wall: 13139.6, 0.00286541/step, 0.366772 hours remaining, 211.562500 MB of memory in use. ENERGY: 4539200 714.0042 2087.0033 1946.9873 117.3768 -206201.1172 17974.4315 0.0000 0.0000 34284.2894 -149077.0248 299.4132 -183361.3141 -148979.7771 299.2230 93.3477 129.0247 557748.6210 25.0623 25.0229 PRESSURE: 4539400 50.776 107.232 -87.5264 107.231 -36.0391 35.6183 -87.5271 35.6179 -202.487 GPRESSURE: 4539400 7.75345 187.015 -45.0286 -1.21105 -20.5813 76.3309 -240.257 -9.91777 -84.623 PRESSAVG: 4539400 29.6205 64.0414 15.0216 64.0412 -26.7191 -3.19401 15.0215 -3.19402 -16.4371 GPRESSAVG: 4539400 28.5141 63.1456 13.4213 62.4927 -25.8881 -1.90252 14.6797 -4.26321 -16.382 TIMING: 4539400 CPU: 13140.2, 0.0028818/step Wall: 13140.2, 0.0028818/step, 0.36871 hours remaining, 211.562500 MB of memory in use. ENERGY: 4539400 734.8793 2084.7344 1911.5833 97.6473 -205721.5701 17651.2107 0.0000 0.0000 34285.7396 -148955.7755 299.4259 -183241.5151 -148853.4686 299.2970 -62.5835 -32.4836 558771.1988 -4.5119 -4.5854 PRESSURE: 4539600 -29.101 67.0858 -99.1661 67.0849 -21.0259 -41.7308 -99.1662 -41.7296 272.259 GPRESSURE: 4539600 3.12519 189.796 -146.336 19.7421 29.6273 -51.0144 -31.6 -28.2799 298.349 PRESSAVG: 4539600 42.0868 48.2451 26.2228 48.2452 -35.7833 -29.5138 26.2227 -29.5138 -20.7463 GPRESSAVG: 4539600 43.219 50.6983 29.1963 47.907 -37.0232 -29.3434 27.7215 -29.2111 -20.675 TIMING: 4539600 CPU: 13140.8, 0.0028639/step Wall: 13140.8, 0.0028639/step, 0.366261 hours remaining, 211.562500 MB of memory in use. ENERGY: 4539600 750.5899 2068.3231 1940.0839 127.0845 -206397.0587 18061.8054 0.0000 0.0000 34581.0071 -148868.1649 302.0045 -183449.1720 -148777.3951 300.3549 74.0440 110.3673 558012.2146 -4.8143 -4.8264 PRESSURE: 4539800 -98.798 -88.6456 -26.1352 -88.6463 15.5217 30.1618 -26.1348 30.1612 209.853 GPRESSURE: 4539800 -74.8365 -85.1275 -75.1727 -126.625 42.557 -78.4861 -21.2401 34.8524 244.901 PRESSAVG: 4539800 -34.1654 6.22889 -56.8298 6.22895 79.6814 -32.3591 -56.8298 -32.359 1.44387 GPRESSAVG: 4539800 -33.662 4.90394 -57.3013 6.40239 80.2243 -33.9588 -58.4589 -29.7901 0.127394 TIMING: 4539800 CPU: 13141.3, 0.00287908/step Wall: 13141.3, 0.00287908/step, 0.368043 hours remaining, 211.562500 MB of memory in use. ENERGY: 4539800 743.4231 2172.9916 1927.8051 111.8349 -206226.2265 17894.8441 0.0000 0.0000 34306.6341 -149068.6935 299.6084 -183375.3276 -148975.3367 300.4798 42.1923 70.8738 557855.3479 15.6533 15.5632 PRESSURE: 4540000 -390.172 -158.582 47.3261 -158.582 57.5831 -178.383 47.3242 -178.383 43.0388 GPRESSURE: 4540000 -312.018 -108.133 38.7339 -212.889 53.4376 -150.925 53.026 -172.818 57.4037 PRESSAVG: 4540000 29.5784 -48.3417 26.2157 -48.3417 -14.874 -12.4771 26.2156 -12.4773 7.64361 GPRESSAVG: 4540000 27.8506 -47.4567 27.8819 -48.6859 -14.5337 -11.5295 27.2629 -15.8796 8.56503 TIMING: 4540000 CPU: 13141.9, 0.00292638/step Wall: 13141.9, 0.00292638/step, 0.373926 hours remaining, 211.562500 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: 4540000 771.0519 2123.3961 1937.4024 118.4467 -206172.4698 17800.7203 0.0000 0.0000 34477.8713 -148943.5811 301.1038 -183421.4525 -148843.3994 300.1699 -96.5168 -67.0590 558249.2655 7.4493 7.2940 PRESSURE: 4540200 28.6721 -110.162 -4.86564 -110.164 74.3115 67.3118 -4.86546 67.3113 30.9777 GPRESSURE: 4540200 54.1817 -94.9802 23.0885 -92.1118 135.88 -46.3864 -36.6658 124.787 45.0601 PRESSAVG: 4540200 52.7105 -51.6604 -14.5417 -51.6604 -54.8553 -36.6486 -14.5418 -36.6487 53.5892 GPRESSAVG: 4540200 53.6828 -51.5326 -17.0088 -50.0894 -56.465 -38.5096 -14.5093 -32.9944 54.0378 TIMING: 4540200 CPU: 13142.5, 0.00288852/step Wall: 13142.5, 0.00288852/step, 0.368928 hours remaining, 211.562500 MB of memory in use. ENERGY: 4540200 726.8549 2082.8420 1964.2711 120.6711 -206127.4302 17825.9935 0.0000 0.0000 34310.0833 -149096.7142 299.6385 -183406.7975 -149001.4019 300.3671 44.6538 78.3739 556989.7970 17.1481 17.0852 LDB: ============= START OF LOAD BALANCING ============== 13145.9 LDB: ============== END OF LOAD BALANCING =============== 13145.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13145.9 LDB: ============= START OF LOAD BALANCING ============== 13146.2 LDB: Largest compute 4772 load 0.025479 is 21.6% of average load 0.118067 LDB: Average compute 0.001725 is 1.5% of average load 0.118067 LDB: TIME 13146.2 LOAD: AVG 0.118067 MAX 0.178915 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.844 MB LDB: TIME 13146.2 LOAD: AVG 0.118067 MAX 0.178915 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 13146.2 LOAD: AVG 0.118067 MAX 0.178915 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: ============== END OF LOAD BALANCING =============== 13146.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13146.2 PRESSURE: 4540400 -120.822 -32.3901 39.578 -32.3886 27.3284 148.053 39.5773 148.055 1.47196 GPRESSURE: 4540400 -126.473 72.0333 103.983 -108.025 39.6629 101.747 -100.552 184.081 101.061 PRESSAVG: 4540400 8.29604 4.47211 23.6659 4.47219 -8.82515 37.4337 23.666 37.4338 5.91173 GPRESSAVG: 4540400 7.79393 2.86631 24.1835 2.26788 -7.16995 39.3018 23.3926 36.8163 4.34534 TIMING: 4540400 CPU: 13143.1, 0.00292992/step Wall: 13143.1, 0.00292992/step, 0.374053 hours remaining, 210.355469 MB of memory in use. ENERGY: 4540400 754.6577 2151.2995 1935.3121 111.8138 -206381.0084 17927.3132 0.0000 0.0000 34298.9546 -149201.6576 299.5413 -183500.6122 -149105.2401 299.4601 -30.6740 4.7503 557366.2459 1.7942 1.6564 PRESSURE: 4540600 -352.641 -83.2113 -75.6701 -83.2118 -103.277 90.2371 -75.6709 90.2381 -272.665 GPRESSURE: 4540600 -307.889 -42.4872 -121.799 -134.182 -110.828 77.5173 -15.2519 55.9327 -225.498 PRESSAVG: 4540600 -39.9378 -9.22608 -57.1988 -9.22607 12.5993 37.3519 -57.1988 37.3521 -15.975 GPRESSAVG: 4540600 -39.2481 -8.96833 -55.1072 -6.32106 12.1166 37.6814 -58.438 34.4492 -16.0692 TIMING: 4540600 CPU: 13143.7, 0.00290193/step Wall: 13143.7, 0.00290193/step, 0.370319 hours remaining, 210.355469 MB of memory in use. ENERGY: 4540600 761.6121 2169.9109 1947.2903 115.3877 -205865.0956 17476.8236 0.0000 0.0000 34069.1203 -149324.9506 297.5341 -183394.0709 -149226.3045 299.2280 -242.8610 -214.7384 558492.6617 -14.4378 -14.4003 PRESSURE: 4540800 -93.3448 -107.171 -22.574 -107.17 -122.368 216.49 -22.5729 216.491 -401.121 GPRESSURE: 4540800 -32.0597 -155.013 35.9535 -141.357 -108.405 136.059 -98.2132 275.434 -367.178 PRESSAVG: 4540800 -3.53707 -8.63231 -5.19479 -8.63225 74.841 -30.1212 -5.1948 -30.121 -92.5862 GPRESSAVG: 4540800 -3.40146 -9.81432 -6.29293 -9.21737 74.166 -30.0478 -5.94598 -29.5352 -91.606 TIMING: 4540800 CPU: 13144.2, 0.0028992/step Wall: 13144.2, 0.0028992/step, 0.369809 hours remaining, 210.355469 MB of memory in use. ENERGY: 4540800 778.3850 2051.4124 1926.4007 116.2470 -206072.3738 17616.4676 0.0000 0.0000 34157.5822 -149425.8789 298.3067 -183583.4611 -149322.2895 298.6020 -205.6113 -169.2143 559080.5164 -7.0941 -6.9471 PRESSURE: 4541000 175.907 -104.991 134.448 -104.992 245.331 -96.2474 134.447 -96.2487 -52.5111 GPRESSURE: 4541000 196.805 -76.903 132.913 -99.8698 292.234 -163.619 145.551 -48.1375 -20.1932 PRESSAVG: 4541000 -6.95757 -18.6367 21.4418 -18.6367 22.343 -2.18226 21.4418 -2.18225 14.6048 GPRESSAVG: 4541000 -8.06198 -15.8897 21.1311 -19.8914 22.6893 -3.28385 19.9844 -0.0201824 15.1358 TIMING: 4541000 CPU: 13144.8, 0.0028821/step Wall: 13144.8, 0.0028821/step, 0.367467 hours remaining, 210.355469 MB of memory in use. ENERGY: 4541000 721.3610 2064.5287 1914.4332 123.9229 -206394.2931 18100.8885 0.0000 0.0000 34096.4739 -149372.6849 297.7730 -183469.1588 -149274.3188 299.1705 122.9087 156.2822 559316.9518 9.9967 9.9210 PRESSURE: 4541200 -122.989 -72.1207 100.804 -72.1204 251.775 -4.14376 100.805 -4.14479 76.7103 GPRESSURE: 4541200 -42.1008 -39.1035 128.785 -16.2052 268.562 -52.736 134.976 -64.6174 84.657 PRESSAVG: 4541200 -22.0629 41.402 -9.45032 41.402 12.7376 -56.215 -9.45029 -56.215 -6.4012 GPRESSAVG: 4541200 -21.306 40.0506 -10.9094 41.3985 11.7958 -54.3722 -5.15794 -57.9152 -6.38809 TIMING: 4541200 CPU: 13145.4, 0.00287034/step Wall: 13145.4, 0.00287034/step, 0.365809 hours remaining, 210.355469 MB of memory in use. ENERGY: 4541200 727.1878 2012.1817 1943.4677 110.2985 -206676.8899 18227.5070 0.0000 0.0000 34344.6319 -149311.6153 299.9402 -183656.2472 -149210.4153 298.2444 68.4988 103.7062 557899.6747 -5.2422 -5.2994 PRESSURE: 4541400 86.1574 -121.952 126.499 -121.951 179.184 85.7441 126.499 85.7453 89.3981 GPRESSURE: 4541400 102.86 -110.381 166.412 -179.804 278.442 90.9403 70.1017 80.364 70.1739 PRESSAVG: 4541400 -23.4722 -19.8344 17.884 -19.8344 39.4095 -36.62 17.884 -36.6201 -20.028 GPRESSAVG: 4541400 -22.9875 -19.9378 19.8409 -19.3442 39.9473 -36.6959 14.1148 -36.6208 -21.4384 TIMING: 4541400 CPU: 13146, 0.00287246/step Wall: 13146, 0.00287246/step, 0.365919 hours remaining, 210.355469 MB of memory in use. ENERGY: 4541400 729.2726 2023.9123 1956.2331 114.0217 -206520.7730 18174.0608 0.0000 0.0000 34226.7719 -149296.5006 298.9109 -183523.2725 -149201.5852 299.4702 118.2466 150.4919 558734.0913 -1.3636 -1.4929 PRESSURE: 4541600 -338.923 -37.1966 14.5837 -37.1956 -241.651 -13.3588 14.5852 -13.3602 111.387 GPRESSURE: 4541600 -284.926 -48.1528 65.8441 -38.8934 -206.635 -3.63619 16.6002 -11.4186 109.896 PRESSAVG: 4541600 -44.7239 1.00706 85.5866 1.00695 -63.1848 -28.4374 85.5866 -28.4374 66.4682 GPRESSAVG: 4541600 -45.7095 0.518215 85.3801 0.505485 -63.4229 -28.0102 88.3264 -26.8541 68.0949 TIMING: 4541600 CPU: 13146.5, 0.00288459/step Wall: 13146.5, 0.00288459/step, 0.367305 hours remaining, 210.355469 MB of memory in use. ENERGY: 4541600 737.7121 2033.1858 1928.2555 105.1366 -205949.1536 17581.3424 0.0000 0.0000 34371.3992 -149192.1220 300.1740 -183563.5212 -149093.4656 299.0245 -156.3959 -127.2220 557811.0641 -13.8135 -13.6792 PRESSURE: 4541800 -138.105 -66.2893 -95.6263 -66.2905 -39.4006 -4.9683 -95.6261 -4.96919 10.2628 GPRESSURE: 4541800 -109.445 5.29712 -139.121 25.7288 -18.8238 -10.4209 -60.7273 1.01385 69.806 PRESSAVG: 4541800 -43.7924 -15.3552 -26.5841 -15.3551 -23.0808 -32.0167 -26.584 -32.0166 98.9857 GPRESSAVG: 4541800 -43.881 -13.8911 -26.9141 -16.0479 -23.4748 -33.1995 -27.8535 -32.741 99.5254 TIMING: 4541800 CPU: 13147.1, 0.002883/step Wall: 13147.1, 0.002883/step, 0.366942 hours remaining, 210.355469 MB of memory in use. ENERGY: 4541800 754.1974 2113.2298 1907.9725 114.5158 -206275.0613 17875.9544 0.0000 0.0000 34430.1504 -149079.0410 300.6871 -183509.1914 -148988.6022 299.9514 -55.7476 -19.4877 557615.3081 10.7042 10.7232 PRESSURE: 4542000 -20.4411 45.8624 -135.573 45.8608 -221.191 -130.599 -135.574 -130.598 -173.011 GPRESSURE: 4542000 34.0822 97.9505 -134.314 66.2062 -212.741 -200.83 -72.6853 -109.881 -138.211 PRESSAVG: 4542000 -57.7775 28.8226 -8.06804 28.8226 60.9268 -7.63145 -8.06792 -7.63158 -7.09509 GPRESSAVG: 4542000 -57.1242 27.1425 -11.2778 29.5592 61.2104 -9.31339 -6.34834 -9.11652 -8.21876 TIMING: 4542000 CPU: 13147.7, 0.00288364/step Wall: 13147.7, 0.00288364/step, 0.366862 hours remaining, 210.355469 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: 4542000 755.2372 2017.6794 1905.6962 101.7882 -205945.3158 17765.8054 0.0000 0.0000 34276.6589 -149122.4505 299.3466 -183399.1094 -149030.8639 299.1583 -138.2143 -105.6233 558881.9511 -1.3153 -1.3775 PRESSURE: 4542200 14.5813 23.8179 -19.5672 23.8155 -85.4733 -26.8527 -19.5671 -26.8534 198.824 GPRESSURE: 4542200 -9.19324 -16.0859 -39.4524 -7.3894 -32.5322 67.2302 -1.68209 -32.3427 255.647 PRESSAVG: 4542200 -2.05653 70.2057 4.86623 70.2057 78.9324 -37.0813 4.8663 -37.0813 -87.6347 GPRESSAVG: 4542200 -2.57472 70.9907 7.83004 71.1482 80.5525 -34.5543 1.95133 -35.7316 -88.7515 TIMING: 4542200 CPU: 13148.3, 0.00290768/step Wall: 13148.3, 0.00290768/step, 0.36976 hours remaining, 210.355469 MB of memory in use. ENERGY: 4542200 739.7472 2061.7157 1956.9402 102.3536 -206458.8310 18136.6982 0.0000 0.0000 34285.3602 -149176.0160 299.4226 -183461.3761 -149079.2585 298.6165 42.6440 71.3072 558897.1326 -3.5863 -3.5912 PRESSURE: 4542400 24.792 78.286 52.1377 78.2879 9.24124 56.2149 52.137 56.2165 -7.30862 GPRESSURE: 4542400 42.9939 38.3044 48.7827 87.3061 18.8841 -3.86971 64.3627 93.2668 64.6638 PRESSAVG: 4542400 -83.9741 -12.8584 -60.0995 -12.8584 -14.3377 59.2615 -60.0995 59.2616 83.9779 GPRESSAVG: 4542400 -84.3489 -13.9693 -61.7782 -14.2128 -14.8167 56.8175 -57.8773 59.9861 85.0486 TIMING: 4542400 CPU: 13148.9, 0.00289123/step Wall: 13148.9, 0.00289123/step, 0.367508 hours remaining, 210.355469 MB of memory in use. ENERGY: 4542400 772.5373 2051.7525 1946.6998 103.0487 -206277.0889 18106.9967 0.0000 0.0000 34143.4742 -149152.5798 298.1835 -183296.0540 -149065.1992 299.1139 8.9082 42.1806 558789.0543 -4.7780 -4.7057 PRESSURE: 4542600 17.6753 120.547 -111.763 120.548 -48.8487 61.2604 -111.763 61.2588 -87.7517 GPRESSURE: 4542600 9.76982 109.048 -211.103 65.7906 12.2939 67.1122 -101.002 2.69023 -45.2152 PRESSAVG: 4542600 -33.7487 5.53467 -4.99503 5.53477 -31.3487 -19.361 -4.995 -19.361 64.0036 GPRESSAVG: 4542600 -33.6055 5.7818 -6.09319 6.40349 -32.053 -17.5265 -3.91797 -22.4993 64.8514 TIMING: 4542600 CPU: 13149.4, 0.00287712/step Wall: 13149.4, 0.00287712/step, 0.365554 hours remaining, 210.355469 MB of memory in use. ENERGY: 4542600 744.6014 2085.0360 1901.2234 104.0953 -205689.8008 17654.4140 0.0000 0.0000 34101.5813 -149098.8495 297.8176 -183200.4307 -149001.4988 299.7703 -39.6417 -7.7171 558165.7735 -0.3646 -0.2691 PRESSURE: 4542800 -205.992 -123.119 138.983 -123.118 -252.914 -152.083 138.983 -152.083 44.2427 GPRESSURE: 4542800 -147.801 -211.869 93.4518 -99.3116 -212.251 -163.776 119.631 -109.538 43.6285 PRESSAVG: 4542800 47.3043 -4.93269 19.0521 -4.9326 -18.8958 -5.23089 19.0521 -5.23086 -40.4489 GPRESSAVG: 4542800 47.2254 -6.78183 21.244 -4.12225 -19.3491 -5.47822 14.2729 -1.96155 -40.5403 TIMING: 4542800 CPU: 13150, 0.00289274/step Wall: 13150, 0.00289274/step, 0.367378 hours remaining, 210.355469 MB of memory in use. ENERGY: 4542800 754.0213 2050.0848 1953.8896 112.2300 -205787.8068 17657.7359 0.0000 0.0000 34078.3905 -149181.4548 297.6151 -183259.8453 -149093.1851 298.9353 -138.2212 -105.4748 558868.2144 -4.0135 -4.2214 PRESSURE: 4543000 -123.506 -12.3836 38.3521 -12.383 -57.739 21.052 38.3502 21.051 -50.7688 GPRESSURE: 4543000 -149.94 -3.82127 98.8378 -40.7959 27.4388 -58.9259 10.8152 108.78 -10.2649 PRESSAVG: 4543000 -49.9194 19.546 -7.25593 19.546 -16.8823 -38.981 -7.25587 -38.9808 98.4151 GPRESSAVG: 4543000 -49.8476 22.6155 -6.60636 18.2064 -16.2481 -40.2323 -4.05696 -40.1447 97.623 TIMING: 4543000 CPU: 13150.6, 0.00288912/step Wall: 13150.6, 0.00288912/step, 0.366758 hours remaining, 210.355469 MB of memory in use. ENERGY: 4543000 758.1346 2021.7002 1940.3468 129.1093 -205864.9176 17772.5946 0.0000 0.0000 34370.8928 -148872.1392 300.1696 -183243.0320 -148776.1222 299.8444 -77.3381 -44.2552 557990.2617 10.5378 10.5091 PRESSURE: 4543200 164.454 -126.565 216.017 -126.564 -180.086 -103.518 216.017 -103.517 4.31998 GPRESSURE: 4543200 145.345 -34.5597 209.796 -113.846 -118.875 -60.2509 143.203 -145.522 54.8258 PRESSAVG: 4543200 -3.69401 35.2946 25.5553 35.2946 21.9989 7.26992 25.5553 7.26991 -5.06657 GPRESSAVG: 4543200 -3.77567 34.4519 27.5959 36.3706 22.3991 8.667 24.6607 6.23226 -4.9723 TIMING: 4543200 CPU: 13151.2, 0.00287167/step Wall: 13151.2, 0.00287167/step, 0.364383 hours remaining, 210.355469 MB of memory in use. ENERGY: 4543200 733.3174 2069.2145 1965.6319 107.9901 -206101.5952 17883.9673 0.0000 0.0000 34523.7897 -148817.6845 301.5048 -183341.4742 -148723.6626 300.5504 -3.7705 27.0986 559784.2955 4.4128 4.5504 PRESSURE: 4543400 212.021 -152.844 -64.4493 -152.845 -26.4869 31.85 -64.4496 31.8493 97.3491 GPRESSURE: 4543400 269.25 -216.075 -92.2984 -127.233 24.6856 -15.2568 -53.9377 47.7529 92.4758 PRESSAVG: 4543400 43.7948 -16.7977 5.53669 -16.7977 -72.5635 22.2789 5.5367 22.279 69.1951 GPRESSAVG: 4543400 44.4214 -17.8454 2.7203 -15.802 -72.6244 22.3299 6.00253 22.9679 68.549 TIMING: 4543400 CPU: 13151.7, 0.00288132/step Wall: 13151.7, 0.00288132/step, 0.365447 hours remaining, 210.355469 MB of memory in use. ENERGY: 4543400 717.3613 2109.9624 1931.6660 109.7032 -206350.9149 18051.6404 0.0000 0.0000 34517.4068 -148913.1748 301.4491 -183430.5815 -148821.3410 301.0590 94.2943 128.8038 557811.2018 13.4755 13.4487 PRESSURE: 4543600 -71.4218 33.3277 35.1564 33.3277 -56.7909 -15.4773 35.1544 -15.478 -114.246 GPRESSURE: 4543600 -9.3291 143.245 90.5848 36.8227 -66.6891 85.5306 -65.5844 -96.9232 -85.02 PRESSAVG: 4543600 32.402 15.9187 1.0048 15.9187 11.1836 18.4004 1.00477 18.4004 -54.617 GPRESSAVG: 4543600 31.5597 17.8668 3.26249 13.7395 11.1006 16.9686 0.297299 19.2108 -54.2762 TIMING: 4543600 CPU: 13152.3, 0.00289118/step Wall: 13152.3, 0.00289118/step, 0.366538 hours remaining, 210.355469 MB of memory in use. ENERGY: 4543600 709.7773 2092.8711 1929.2912 130.7758 -205915.2980 17532.5649 0.0000 0.0000 34378.7756 -149141.2421 300.2384 -183520.0177 -149047.9564 300.5264 -80.8195 -53.6794 557581.0978 -3.6771 -3.8720 PRESSURE: 4543800 185.189 55.5671 -33.543 55.5674 -122.341 245.755 -33.5433 245.754 232.171 GPRESSURE: 4543800 185.249 136.244 -79.5753 140.554 -127.625 328.537 8.53786 131.916 324.626 PRESSAVG: 4543800 40.4647 15.7069 -3.41461 15.7068 -57.5432 50.7412 -3.41462 50.7413 38.7022 GPRESSAVG: 4543800 41.2948 14.5925 -5.54929 16.5596 -57.9421 50.8627 -1.20859 49.6032 38.7298 TIMING: 4543800 CPU: 13152.9, 0.00289461/step Wall: 13152.9, 0.00289461/step, 0.366812 hours remaining, 210.355469 MB of memory in use. ENERGY: 4543800 763.6080 2087.7224 1938.6475 119.6562 -206342.0032 18003.2767 0.0000 0.0000 34381.8440 -149047.2484 300.2652 -183429.0925 -148951.7173 299.6127 98.3398 127.4168 557395.7632 7.2079 7.3608 PRESSURE: 4544000 18.6199 59.3873 100.769 59.3868 -28.2336 126.348 100.768 126.347 79.998 GPRESSURE: 4544000 -34.2578 -26.1648 162.633 23.4559 77.4574 210.942 65.0219 181.195 119.15 PRESSAVG: 4544000 -13.1285 -8.58176 -33.3504 -8.58172 -33.8851 -33.2508 -33.3503 -33.2508 64.1368 GPRESSAVG: 4544000 -14.1145 -10.7533 -33.3821 -6.60022 -33.4462 -33.0988 -34.6272 -30.8243 65.0808 TIMING: 4544000 CPU: 13153.5, 0.00290711/step Wall: 13153.5, 0.00290711/step, 0.368234 hours remaining, 210.355469 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: 4544000 756.9962 2062.6404 1935.1271 115.1679 -206149.5945 17877.4888 0.0000 0.0000 34257.8463 -149144.3278 299.1823 -183402.1741 -149048.2213 299.6009 23.4614 54.1167 558394.5085 5.7078 5.8400 PRESSURE: 4544200 130.913 -27.254 -27.923 -27.2547 -105.7 -73.0229 -27.922 -73.024 -38.368 GPRESSURE: 4544200 131.602 -28.5827 -16.507 -48.3335 -69.5435 -41.7142 -33.5261 -108.822 23.8758 PRESSAVG: 4544200 -45.7001 41.9646 -33.5047 41.9646 15.7578 17.4759 -33.5047 17.476 55.3048 GPRESSAVG: 4544200 -44.4966 43.3336 -33.4127 40.8956 15.636 17.446 -34.3502 16.0932 55.0693 TIMING: 4544200 CPU: 13154.1, 0.00288752/step Wall: 13154.1, 0.00288752/step, 0.365593 hours remaining, 210.355469 MB of memory in use. ENERGY: 4544200 744.8665 2064.8717 1931.0773 106.2113 -206257.6318 17827.2304 0.0000 0.0000 34219.6904 -149363.6842 298.8491 -183583.3746 -149263.5007 299.0061 -4.3852 28.6448 558419.5470 8.4542 8.7363 LDB: ============= START OF LOAD BALANCING ============== 13157.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13157.4 LDB: =============== DONE WITH MIGRATION ================ 13157.4 LDB: ============= START OF LOAD BALANCING ============== 13157.7 LDB: Largest compute 4772 load 0.025716 is 21.8% of average load 0.118099 LDB: Average compute 0.001716 is 1.5% of average load 0.118099 LDB: TIME 13157.7 LOAD: AVG 0.118099 MAX 0.181058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.637 MB LDB: TIME 13157.7 LOAD: AVG 0.118099 MAX 0.181058 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.84 MB LDB: TIME 13157.7 LOAD: AVG 0.118099 MAX 0.181058 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13157.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13157.7 PRESSURE: 4544400 -102.86 64.9148 -52.5066 64.9142 -432.896 8.52897 -52.5073 8.52845 -113.804 GPRESSURE: 4544400 -122.869 55.2715 -56.1079 82.0678 -367.069 64.8174 -45.5907 26.094 -76.7306 PRESSAVG: 4544400 -8.38048 18.0701 -1.98315 18.0701 -92.3974 45.4387 -1.98317 45.4388 61.3288 GPRESSAVG: 4544400 -9.32692 19.8704 -3.75147 17.8764 -92.7197 46.5567 -0.968213 44.1822 62.5478 TIMING: 4544400 CPU: 13154.6, 0.00294031/step Wall: 13154.6, 0.00294031/step, 0.372113 hours remaining, 209.843750 MB of memory in use. ENERGY: 4544400 728.7415 2068.7533 1947.9706 124.7790 -205726.1993 17368.3516 0.0000 0.0000 33991.3608 -149496.2426 296.8550 -183487.6033 -149399.6049 298.3313 -216.5198 -188.8896 558651.2540 -13.1497 -13.1663 PRESSURE: 4544600 -3.00638 11.9721 110.964 11.9711 136.819 34.2143 110.964 34.2149 -40.9443 GPRESSURE: 4544600 43.7837 -11.9474 76.9073 53.5157 178.046 54.4699 105.75 44.5774 -43.5301 PRESSAVG: 4544600 -16.2481 21.0193 43.391 21.0193 -36.5963 37.7913 43.391 37.7912 67.1726 GPRESSAVG: 4544600 -15.9434 18.2123 46.2295 21.8879 -35.6735 36.3361 43.3711 39.9012 66.4323 TIMING: 4544600 CPU: 13155.2, 0.00289441/step Wall: 13155.2, 0.00289441/step, 0.366143 hours remaining, 209.843750 MB of memory in use. ENERGY: 4544600 740.1035 2052.6980 1915.4833 118.6943 -206583.6060 18031.3469 0.0000 0.0000 34159.4470 -149565.8329 298.3229 -183725.2800 -149473.6056 298.5748 30.9561 59.4332 556763.2680 4.7761 4.9385 PRESSURE: 4544800 79.699 124.485 28.3049 124.485 18.6054 108.546 28.3048 108.547 -74.8427 GPRESSURE: 4544800 88.8436 121.431 -69.0713 156.48 35.8041 44.3069 -32.5084 157.679 -6.16965 PRESSAVG: 4544800 -18.6785 -4.10274 4.11165 -4.10275 -40.6634 47.2021 4.11168 47.2021 15.5008 GPRESSAVG: 4544800 -18.2513 -2.61459 3.3555 -5.41416 -42.3344 47.4837 5.03322 46.4757 16.2469 TIMING: 4544800 CPU: 13155.8, 0.00288766/step Wall: 13155.8, 0.00288766/step, 0.365128 hours remaining, 209.843750 MB of memory in use. ENERGY: 4544800 737.0721 2112.1885 1933.0703 118.0792 -206493.9041 17913.2784 0.0000 0.0000 34107.6972 -149572.5184 297.8710 -183680.2156 -149478.6500 297.7085 7.8206 39.4927 558106.6751 -14.6137 -14.7796 PRESSURE: 4545000 12.1 63.7514 172.093 63.7514 -118.834 -104.925 172.092 -104.926 -85.6112 GPRESSURE: 4545000 43.6069 58.7901 99.7684 97.9462 -103.206 -92.8394 137.879 -159.731 -37.4568 PRESSAVG: 4545000 -29.3851 51.136 53.1164 51.136 3.88709 10.5879 53.1164 10.5877 58.8573 GPRESSAVG: 4545000 -29.2341 49.9228 54.5396 52.1994 5.05379 9.08687 51.8435 11.5293 57.861 TIMING: 4545000 CPU: 13156.4, 0.00288842/step Wall: 13156.4, 0.00288842/step, 0.365065 hours remaining, 209.843750 MB of memory in use. ENERGY: 4545000 719.8179 2087.0063 1919.4569 108.4719 -206340.2859 17730.8693 0.0000 0.0000 34292.7485 -149481.9151 299.4871 -183774.6636 -149379.9874 298.1033 -64.1152 -32.3520 557954.1145 11.1198 11.2269 PRESSURE: 4545200 202.084 41.8962 -45.5706 41.8967 -19.6483 65.7245 -45.571 65.7248 305.918 GPRESSURE: 4545200 279.38 82.9334 -64.1563 24.2935 8.8477 2.27274 -2.78502 86.8066 297.416 PRESSAVG: 4545200 -14.4779 76.7514 -19.8376 76.7515 -96.354 -8.56631 -19.8375 -8.5664 75.1137 GPRESSAVG: 4545200 -14.4933 76.7427 -22.0471 77.6384 -97.6833 -6.40203 -20.1017 -9.18022 75.7102 TIMING: 4545200 CPU: 13157, 0.00285854/step Wall: 13157, 0.00285854/step, 0.361129 hours remaining, 209.843750 MB of memory in use. ENERGY: 4545200 748.8217 2026.4865 1931.5744 106.1564 -206530.3118 17964.7868 0.0000 0.0000 34318.8815 -149433.6045 299.7153 -183752.4860 -149336.5669 298.5767 162.7845 195.2148 556281.9479 -11.9060 -12.1555 PRESSURE: 4545400 -132.495 120.433 33.9249 120.433 -232.787 33.1204 33.9253 33.1198 -221.694 GPRESSURE: 4545400 -109.503 128.891 112.018 135.085 -157.1 151.5 66.8008 5.14465 -218.683 PRESSAVG: 4545400 27.1322 -6.46346 -30.6824 -6.46343 -27.1406 -17.8459 -30.6823 -17.846 20.1837 GPRESSAVG: 4545400 25.821 -6.89244 -29.6895 -8.55321 -26.7775 -18.0839 -28.9093 -17.8292 21.0675 TIMING: 4545400 CPU: 13157.5, 0.0028708/step Wall: 13157.5, 0.0028708/step, 0.362519 hours remaining, 209.843750 MB of memory in use. ENERGY: 4545400 745.2624 2119.7630 1934.1839 117.1652 -206404.7796 17776.8548 0.0000 0.0000 34199.8355 -149511.7149 298.6757 -183711.5504 -149416.7525 299.3379 -195.6586 -161.7620 558303.1945 6.7251 6.7037 PRESSURE: 4545600 -106.274 -222.606 -8.61226 -222.604 214.399 -160.92 -8.61316 -160.921 12.2487 GPRESSURE: 4545600 -36.3821 -235.234 -18.9354 -179.626 207.803 -268.831 46.629 -86.7391 41.4903 PRESSAVG: 4545600 -12.0441 -25.8594 -20.7587 -25.8594 26.5815 40.2941 -20.7587 40.2941 4.4324 GPRESSAVG: 4545600 -10.1196 -24.2105 -21.2963 -25.9668 25.8675 38.6032 -22.9039 39.3924 3.61706 TIMING: 4545600 CPU: 13158.1, 0.00287844/step Wall: 13158.1, 0.00287844/step, 0.363323 hours remaining, 209.843750 MB of memory in use. ENERGY: 4545600 703.7851 2075.9618 1925.9735 112.5648 -206050.2238 17834.4218 0.0000 0.0000 34067.1572 -149330.3597 297.5170 -183397.5169 -149234.7584 299.0171 40.1248 70.9705 558179.1572 6.3233 6.4550 PRESSURE: 4545800 -65.4896 15.2867 54.0222 15.2876 -315.052 -97.9109 54.0239 -97.9106 -397.303 GPRESSURE: 4545800 -1.85112 -6.49561 77.378 52.965 -301.584 -29.4579 39.2527 -227.902 -365.471 PRESSAVG: 4545800 36.5571 -38.6577 16.7156 -38.6578 -11.0602 42.4597 16.7158 42.4596 -60.1996 GPRESSAVG: 4545800 36.0918 -39.0316 15.198 -38.6413 -9.35096 44.3224 16.9889 41.9814 -60.8747 TIMING: 4545800 CPU: 13158.7, 0.00288552/step Wall: 13158.7, 0.00288552/step, 0.364056 hours remaining, 209.843750 MB of memory in use. ENERGY: 4545800 774.5142 2088.3853 1931.5991 113.2195 -205915.6158 17421.2951 0.0000 0.0000 34245.4310 -149341.1715 299.0739 -183586.6025 -149244.1903 298.9308 -259.2816 -222.9687 558073.6257 -11.5676 -11.3779 PRESSURE: 4546000 -45.3894 136.187 -32.3513 136.187 116.511 -110.911 -32.3517 -110.911 155.886 GPRESSURE: 4546000 41.4352 136.598 -75.5172 101.532 82.3524 -68.8668 -81.0907 -57.8182 199.426 PRESSAVG: 4546000 5.01444 2.96673 -18.8389 2.96672 23.7131 21.6578 -18.8389 21.6579 18.0621 GPRESSAVG: 4546000 4.38606 0.979603 -17.6618 3.91067 23.3844 20.031 -17.8404 22.786 19.8062 TIMING: 4546000 CPU: 13159.3, 0.00287343/step Wall: 13159.3, 0.00287343/step, 0.362372 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4546000 743.3629 2131.3067 1954.4298 111.0234 -206467.5156 17932.7182 0.0000 0.0000 34401.9737 -149192.7010 300.4410 -183594.6747 -149099.5421 299.8196 75.6691 107.7378 557325.2725 15.5966 15.8589 PRESSURE: 4546200 43.5384 -286.612 -20.3629 -286.614 -15.7634 155.876 -20.3632 155.875 -94.4874 GPRESSURE: 4546200 68.5823 -301.452 -16.6917 -181.819 4.11927 123.772 -63.4284 177.975 -47.2767 PRESSAVG: 4546200 -70.6838 -19.9889 -15.4317 -19.9889 -32.3246 31.2997 -15.4317 31.2997 39.2547 GPRESSAVG: 4546200 -70.7476 -20.6639 -13.2775 -19.8479 -31.9895 32.1672 -16.8532 30.6141 39.1418 TIMING: 4546200 CPU: 13159.8, 0.00288655/step Wall: 13159.8, 0.00288655/step, 0.363865 hours remaining, 209.843750 MB of memory in use. ENERGY: 4546200 754.5992 2079.6747 1960.0925 116.5061 -206354.1083 17950.6186 0.0000 0.0000 34368.8529 -149123.7643 300.1517 -183492.6172 -149029.5215 299.7142 -22.2375 8.4750 557131.8889 -21.2512 -21.1984 PRESSURE: 4546400 -224.786 -60.9904 47.0736 -60.9889 31.3528 141.818 47.0754 141.818 56.0823 GPRESSURE: 4546400 -172.773 -90.0509 -12.2439 -78.9786 92.7621 187.105 88.3227 121.527 40.4942 PRESSAVG: 4546400 1.23393 -27.8769 -44.2844 -27.8769 38.2686 63.0165 -44.2844 63.0165 -35.897 GPRESSAVG: 4546400 2.02048 -26.3265 -45.4147 -29.3673 38.6716 60.7321 -43.667 65.8878 -37.5704 TIMING: 4546400 CPU: 13160.4, 0.00287852/step Wall: 13160.4, 0.00287852/step, 0.362694 hours remaining, 209.843750 MB of memory in use. ENERGY: 4546400 728.9657 2064.2737 1929.8854 117.3683 -206349.0984 17951.9212 0.0000 0.0000 34348.1687 -149208.5154 299.9711 -183556.6841 -149112.0899 299.8620 -45.7836 -13.1723 557910.6667 1.2018 1.0406 PRESSURE: 4546600 -51.3582 30.9926 303.218 30.9928 -83.9559 -32.6752 303.217 -32.6759 244.887 GPRESSURE: 4546600 -40.916 -1.17164 317.882 89.691 -58.6164 -49.9957 352.208 -63.8198 308.645 PRESSAVG: 4546600 8.17954 -15.1721 14.3454 -15.1723 -13.4777 38.9653 14.3452 38.9652 -30.2077 GPRESSAVG: 4546600 8.07682 -14.1976 14.3064 -15.4297 -13.4194 41.6994 13.1707 37.5005 -29.7392 TIMING: 4546600 CPU: 13161, 0.00290248/step Wall: 13161, 0.00290248/step, 0.365551 hours remaining, 209.843750 MB of memory in use. ENERGY: 4546600 703.2556 2069.4870 1920.7048 106.6202 -206345.8557 18060.8043 0.0000 0.0000 34425.5272 -149059.4566 300.6467 -183484.9839 -148954.9032 300.0793 36.5241 69.7043 558359.8766 -11.8353 -11.6939 PRESSURE: 4546800 -110.671 260.657 -155.993 260.657 132.955 -27.7707 -155.994 -27.7708 -27.5822 GPRESSURE: 4546800 -32.9663 204.364 -128.782 250.391 143.507 -96.6144 -135.907 -50.0269 -19.9622 PRESSAVG: 4546800 -22.3249 52.1648 -8.19128 52.1647 7.67525 -52.7824 -8.19134 -52.7824 26.0027 GPRESSAVG: 4546800 -21.2267 51.1945 -10.2591 51.5084 8.02324 -53.6282 -7.64993 -52.5011 24.9119 TIMING: 4546800 CPU: 13161.6, 0.00287792/step Wall: 13161.6, 0.00287792/step, 0.362298 hours remaining, 209.843750 MB of memory in use. ENERGY: 4546800 774.7301 2124.7696 1907.4435 126.4289 -206060.9114 17954.9727 0.0000 0.0000 34182.5249 -148990.0418 298.5245 -183172.5667 -148899.6122 299.6307 -1.7662 30.1928 558443.9734 3.7844 3.9028 PRESSURE: 4547000 -285.094 49.0766 51.7439 49.0749 -265.516 -127.195 51.7438 -127.194 -299.49 GPRESSURE: 4547000 -224.996 41.2432 66.8159 28.5296 -212.266 -96.9533 -3.35734 -89.4268 -317.747 PRESSAVG: 4547000 -17.9185 30.6755 -62.5763 30.6755 31.3531 33.282 -62.5763 33.282 -35.5806 GPRESSAVG: 4547000 -19.0735 29.9586 -61.8096 32.5633 31.3429 33.3813 -63.0011 34.8306 -34.994 TIMING: 4547000 CPU: 13162.1, 0.00285906/step Wall: 13162.1, 0.00285906/step, 0.359765 hours remaining, 209.843750 MB of memory in use. ENERGY: 4547000 747.5263 1985.0161 1960.9451 100.4744 -205303.4270 17339.6537 0.0000 0.0000 34345.3032 -148824.5082 299.9461 -183169.8113 -148725.8988 299.8344 -283.3668 -251.6695 558645.3144 -7.3820 -7.5748 PRESSURE: 4547200 -50.7698 69.7479 -28.5262 69.7486 99.5181 82.69 -28.5269 82.6903 -162.644 GPRESSURE: 4547200 -10.4468 -5.86334 -47.3866 146.688 148.19 66.216 7.29404 50.1379 -159.179 PRESSAVG: 4547200 -36.1455 31.7088 -17.8693 31.7089 45.3551 -9.51048 -17.8693 -9.51048 14.0298 GPRESSAVG: 4547200 -35.9842 31.925 -18.1981 29.1995 44.3003 -8.13141 -16.1355 -13.4273 14.3676 TIMING: 4547200 CPU: 13162.7, 0.00287858/step Wall: 13162.7, 0.00287858/step, 0.362061 hours remaining, 209.843750 MB of memory in use. ENERGY: 4547200 729.9149 2090.3203 1936.4489 117.7909 -205759.6759 17714.9316 0.0000 0.0000 34329.4663 -148840.8030 299.8078 -183170.2693 -148739.8924 300.0708 -37.9654 -7.1452 558551.8151 7.7465 7.5612 PRESSURE: 4547400 -215.437 241.567 15.9282 241.567 144.183 64.4268 15.9291 64.4279 1.0712 GPRESSURE: 4547400 -192.209 260.881 -33.254 282.571 191.966 87.123 -23.1775 -9.50763 26.1519 PRESSAVG: 4547400 -19.1267 95.5772 -22.6941 95.5773 35.9508 39.8847 -22.6941 39.8846 -46.4588 GPRESSAVG: 4547400 -20.5907 95.7206 -21.8274 97.3856 37.309 37.2634 -22.7348 41.4747 -46.4568 TIMING: 4547400 CPU: 13163.3, 0.00287858/step Wall: 13163.3, 0.00287858/step, 0.361901 hours remaining, 209.843750 MB of memory in use. ENERGY: 4547400 759.1741 2033.2480 1936.7942 112.3003 -205722.5654 17665.8182 0.0000 0.0000 34349.7075 -148865.5232 299.9845 -183215.2306 -148762.9762 299.8974 -23.3943 8.6364 556897.1173 -9.8782 -9.9128 PRESSURE: 4547600 -63.8833 55.4583 167.167 55.4581 123.472 38.6948 167.167 38.6938 95.0085 GPRESSURE: 4547600 -26.8028 136.298 160.044 36.0086 138.334 109.216 187.998 -1.56536 147.493 PRESSAVG: 4547600 -35.2417 71.8012 -34.8775 71.8012 76.117 54.5693 -34.8775 54.5692 -27.3735 GPRESSAVG: 4547600 -34.5328 73.5885 -33.9257 71.1633 75.5286 55.8247 -38.5688 53.0519 -27.844 TIMING: 4547600 CPU: 13163.9, 0.00288072/step Wall: 13163.9, 0.00288072/step, 0.362011 hours remaining, 209.843750 MB of memory in use. ENERGY: 4547600 732.5970 2051.2613 1940.9797 117.6364 -205979.7434 17898.0455 0.0000 0.0000 34356.7928 -148882.4307 300.0464 -183239.2236 -148778.8261 300.2163 51.5323 86.3414 557866.5593 4.5006 4.3839 PRESSURE: 4547800 -5.93501 -23.9312 64.1366 -23.9318 60.6111 47.0464 64.1358 47.0467 -39.3095 GPRESSURE: 4547800 14.4513 -35.6359 111.947 23.495 79.1167 51.5135 -6.35756 -30.9612 12.9925 PRESSAVG: 4547800 72.7134 45.7148 38.1252 45.7148 -30.7648 29.3156 38.1251 29.3156 -75.8873 GPRESSAVG: 4547800 72.8975 43.3528 36.2556 47.1225 -31.6601 29.8734 40.3796 29.5787 -75.1743 TIMING: 4547800 CPU: 13164.4, 0.00287538/step Wall: 13164.4, 0.00287538/step, 0.361179 hours remaining, 209.843750 MB of memory in use. ENERGY: 4547800 743.4586 2070.2929 1940.2986 98.8342 -205906.5656 17590.1646 0.0000 0.0000 34477.1746 -148986.3421 301.0977 -183463.5167 -148887.0610 300.1498 5.1222 35.5202 556869.2785 -11.3129 -11.3123 PRESSURE: 4548000 -178.725 128.217 -2.46531 128.216 -136.779 31.1853 -2.46486 31.1849 -56.2739 GPRESSURE: 4548000 -185.58 71.5831 47.3117 113.691 -119.099 30.9617 -81.4661 100.585 46.6249 PRESSAVG: 4548000 35.0723 43.3261 9.12739 43.3261 -8.00671 89.2222 9.12734 89.2222 -15.2385 GPRESSAVG: 4548000 33.4347 42.8767 11.4859 42.6164 -6.58595 89.9019 5.75561 88.8442 -14.4123 TIMING: 4548000 CPU: 13165, 0.00287156/step Wall: 13165, 0.00287156/step, 0.36054 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4548000 747.3945 2047.8998 1946.9933 107.8578 -205777.8384 17582.3160 0.0000 0.0000 34081.5699 -149263.8072 297.6428 -183345.3771 -149168.0946 299.3435 -123.9258 -86.0179 557520.7711 3.9424 4.1455 PRESSURE: 4548200 39.8262 -52.9754 212.984 -52.9754 -199.491 -140.254 212.983 -140.252 -36.076 GPRESSURE: 4548200 121.787 -109.303 210.123 -83.5153 -226.178 -87.135 213.868 -123.273 3.35312 PRESSAVG: 4548200 -10.8443 47.4572 -21.1386 47.4571 -46.1421 31.091 -21.1386 31.091 29.5083 GPRESSAVG: 4548200 -8.95065 48.6874 -21.8232 46.7002 -46.9275 31.2576 -20.5993 30.0157 28.3282 TIMING: 4548200 CPU: 13165.6, 0.00288399/step Wall: 13165.6, 0.00288399/step, 0.361941 hours remaining, 209.843750 MB of memory in use. ENERGY: 4548200 761.4493 2039.5163 1934.5098 116.4226 -206017.0068 17847.7299 0.0000 0.0000 34141.2907 -149176.0883 298.1644 -183317.3790 -149079.2507 299.4201 -65.2470 -33.6795 557970.6395 -9.1593 -9.1833 LDB: ============= START OF LOAD BALANCING ============== 13169 LDB: ============== END OF LOAD BALANCING =============== 13169 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13169 LDB: ============= START OF LOAD BALANCING ============== 13169.3 LDB: Largest compute 4772 load 0.026247 is 22.2% of average load 0.118054 LDB: Average compute 0.001725 is 1.5% of average load 0.118054 LDB: TIME 13169.3 LOAD: AVG 0.118054 MAX 0.17962 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.898 MB LDB: TIME 13169.3 LOAD: AVG 0.118054 MAX 0.17962 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.102 MB LDB: TIME 13169.3 LOAD: AVG 0.118054 MAX 0.17962 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13169.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13169.3 PRESSURE: 4548400 97.577 40.5419 100.733 40.5413 82.8185 10.6311 100.733 10.6314 -119.202 GPRESSURE: 4548400 163.107 43.6663 98.4481 41.3034 88.0661 33.1992 145.345 -39.5787 -104.809 PRESSAVG: 4548400 25.8365 18.6644 37.6738 18.6643 -58.4122 73.2283 37.6738 73.2283 35.9503 GPRESSAVG: 4548400 25.9077 18.2095 36.2437 18.6136 -58.3094 72.9195 41.2447 74.7502 35.2696 TIMING: 4548400 CPU: 13166.2, 0.00295089/step Wall: 13166.2, 0.00295089/step, 0.370172 hours remaining, 211.125000 MB of memory in use. ENERGY: 4548400 739.7949 2145.4728 1936.1103 111.0182 -206421.6906 17991.2720 0.0000 0.0000 34227.6176 -149270.4047 298.9183 -183498.0223 -149178.6044 298.9255 20.3980 48.7881 557240.0862 1.1249 0.9560 PRESSURE: 4548600 -86.0307 124.136 -73.8366 124.137 -73.4246 20.3966 -73.8373 20.3968 -4.07243 GPRESSURE: 4548600 -35.3251 257.219 -88.7467 54.4531 -52.9369 46.7144 27.13 33.1307 20.3482 PRESSAVG: 4548600 28.0355 101.494 -9.95546 101.494 -9.03417 7.00637 -9.95533 7.00647 -29.5495 GPRESSAVG: 4548600 27.3292 101.815 -9.96291 103.576 -9.9068 9.06336 -10.5211 4.22197 -27.7338 TIMING: 4548600 CPU: 13166.8, 0.00286409/step Wall: 13166.8, 0.00286409/step, 0.359125 hours remaining, 211.367188 MB of memory in use. ENERGY: 4548600 738.7294 2054.5328 1900.6511 118.8401 -205826.5151 17570.8768 0.0000 0.0000 34287.5039 -149155.3810 299.4413 -183442.8848 -149063.6487 299.2597 -54.5092 -22.6379 556960.6795 -3.5161 -3.4371 PRESSURE: 4548800 -18.8399 76.7103 19.7371 76.7114 -132.425 -84.7794 19.7372 -84.7792 -182.395 GPRESSURE: 4548800 5.36965 99.9385 58.3931 46.8299 -99.8374 -80.6911 73.4582 -101.876 -133.401 PRESSAVG: 4548800 5.35 53.9263 -14.2726 53.9263 -8.49186 -25.5032 -14.2727 -25.5033 14.1331 GPRESSAVG: 4548800 5.18543 53.2936 -14.2153 52.8217 -8.47711 -28.3628 -14.0861 -21.804 14.5122 TIMING: 4548800 CPU: 13167.3, 0.00286427/step Wall: 13167.3, 0.00286427/step, 0.358988 hours remaining, 211.367188 MB of memory in use. ENERGY: 4548800 780.3693 2068.2567 1931.3577 121.0961 -205942.9195 17751.8672 0.0000 0.0000 34149.3954 -149140.5771 298.2352 -183289.9725 -149041.9136 299.9425 -111.2200 -75.9562 557030.1666 3.6637 3.7402 PRESSURE: 4549000 281.481 -111.241 152.235 -111.241 -39.386 -69.4335 152.235 -69.4331 -159.369 GPRESSURE: 4549000 364.022 -156.453 190.452 -42.1952 -60.2155 -99.3359 195.969 -98.6021 -105.941 PRESSAVG: 4549000 32.5178 6.58493 -0.0204456 6.5849 -63.069 1.44191 -0.0204007 1.44198 49.0835 GPRESSAVG: 4549000 32.7867 4.55021 -0.550752 8.57342 -61.8364 1.69464 0.961371 0.237042 47.5661 TIMING: 4549000 CPU: 13167.9, 0.00288804/step Wall: 13167.9, 0.00288804/step, 0.361808 hours remaining, 211.367188 MB of memory in use. ENERGY: 4549000 741.9135 2067.0097 1938.8273 116.7349 -206217.7312 17719.7461 0.0000 0.0000 34419.7414 -149213.7583 300.5962 -183633.4996 -149115.8618 299.6952 27.5755 65.9551 557051.0336 6.1774 6.1721 PRESSURE: 4549200 -52.5919 -45.0248 -76.1327 -45.0247 7.94052 127.928 -76.1308 127.926 8.39982 GPRESSURE: 4549200 -34.8913 -66.8856 -129.866 -61.1404 37.9971 85.3109 -41.8398 60.2497 73.251 PRESSAVG: 4549200 87.8841 -12.2797 57.8735 -12.2797 -5.90689 54.3779 57.8735 54.3778 -60.3297 GPRESSAVG: 4549200 88.2613 -11.4648 59.4696 -14.0953 -6.5328 54.2307 55.7564 53.9735 -59.6802 TIMING: 4549200 CPU: 13168.5, 0.0029162/step Wall: 13168.5, 0.0029162/step, 0.365173 hours remaining, 211.367188 MB of memory in use. ENERGY: 4549200 767.7420 2110.8454 1945.8383 110.5429 -206743.2654 18127.4387 0.0000 0.0000 34354.6748 -149326.1832 300.0279 -183680.8580 -149228.0368 299.9339 -12.0839 25.4522 558599.2169 7.2158 7.3494 PRESSURE: 4549400 136.249 -116.848 113.663 -116.848 -8.94934 -34.0062 113.663 -34.0078 -157.689 GPRESSURE: 4549400 113.778 -135.973 63.7735 -57.3185 10.0237 14.6633 131.358 -46.3969 -76.7883 PRESSAVG: 4549400 26.6249 -60.771 18.141 -60.771 28.5874 45.8539 18.141 45.8541 -71.7439 GPRESSAVG: 4549400 26.7771 -58.1354 18.5581 -62.032 29.4751 46.4789 18.6697 44.4389 -72.7113 TIMING: 4549400 CPU: 13169.1, 0.00288022/step Wall: 13169.1, 0.00288022/step, 0.360507 hours remaining, 211.367188 MB of memory in use. ENERGY: 4549400 745.6090 2064.4032 1946.5580 102.2764 -206608.0691 18031.9120 0.0000 0.0000 34404.8201 -149312.4904 300.4659 -183717.3105 -149223.3439 299.2405 -10.1296 15.6712 558835.6862 -5.5105 -5.4863 PRESSURE: 4549600 306.76 177.729 -21.6624 177.731 27.5787 25.8781 -21.6621 25.8811 -94.2894 GPRESSURE: 4549600 284.921 258.137 18.3763 224.753 98.4722 3.7327 14.8018 9.94762 -37.9346 PRESSAVG: 4549600 59.3311 31.8751 -0.657208 31.8751 -41.6415 -27.2113 -0.657201 -27.2113 -33.1846 GPRESSAVG: 4549600 59.3031 29.2961 -2.66834 34.945 -42.9168 -27.7337 1.81534 -26.1908 -31.3195 TIMING: 4549600 CPU: 13169.6, 0.00288714/step Wall: 13169.6, 0.00288714/step, 0.361213 hours remaining, 211.367188 MB of memory in use. ENERGY: 4549600 743.4693 2058.0646 1972.4263 119.4876 -206749.1110 18161.0828 0.0000 0.0000 34211.7239 -149482.8565 298.7795 -183694.5804 -149385.8719 298.0179 80.0165 115.1529 557659.4305 -5.1650 -4.9778 PRESSURE: 4549800 -261.385 151.854 -59.1138 151.853 -59.2032 147.753 -59.1154 147.754 -338.144 GPRESSURE: 4549800 -232.06 142.705 -82.1035 115.514 -104.291 125.444 48.1502 86.1891 -230.487 PRESSAVG: 4549800 72.4317 -12.5763 -24.6532 -12.5764 19.7154 11.0055 -24.6532 11.0055 -68.3905 GPRESSAVG: 4549800 73.2457 -9.83591 -24.2661 -15.3444 18.9915 11.163 -25.8872 10.2681 -69.2069 TIMING: 4549800 CPU: 13170.2, 0.00288647/step Wall: 13170.2, 0.00288647/step, 0.360969 hours remaining, 211.367188 MB of memory in use. ENERGY: 4549800 763.1821 2078.1025 1943.0018 126.2747 -206174.1175 17578.6701 0.0000 0.0000 34223.7008 -149461.1856 298.8841 -183684.8864 -149363.0996 298.6999 -219.5774 -188.9462 559280.7122 7.9188 7.6768 PRESSURE: 4550000 47.1904 -95.8452 143.271 -95.8445 -194.787 -183.651 143.272 -183.652 -159.033 GPRESSURE: 4550000 37.4681 -133.94 180.133 -153.17 -193.158 -137.695 32.3888 -213.457 -52.9161 PRESSAVG: 4550000 40.5242 -20.6262 -49.6313 -20.6262 -65.084 4.4803 -49.6315 4.48034 -4.50164 GPRESSAVG: 4550000 38.6138 -23.2073 -48.3009 -19.9606 -62.4718 3.81764 -51.3328 5.73858 -4.95741 TIMING: 4550000 CPU: 13170.8, 0.00288479/step Wall: 13170.8, 0.00288479/step, 0.360599 hours remaining, 211.367188 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: 4550000 759.6270 2033.3794 1917.2525 121.4747 -206438.4500 17858.1073 0.0000 0.0000 34286.3040 -149462.3051 299.4308 -183748.6091 -149360.7704 298.5454 -102.2099 -69.5352 559194.2520 -9.6871 -9.6051 PRESSURE: 4550200 -43.8204 -51.3186 -40.0299 -51.3199 -155.083 -56.5268 -40.0309 -56.5277 127.246 GPRESSURE: 4550200 -15.8658 -27.6576 6.79892 -0.215147 -110.573 -28.1659 -74.9253 -72.3124 148.662 PRESSAVG: 4550200 -12.5357 -10.2676 -20.6987 -10.2676 -11.7069 17.686 -20.6987 17.686 -7.51989 GPRESSAVG: 4550200 -11.8412 -9.2846 -22.4043 -10.5941 -12.8619 16.913 -17.5433 17.4854 -7.20223 TIMING: 4550200 CPU: 13171.4, 0.00288412/step Wall: 13171.4, 0.00288412/step, 0.360354 hours remaining, 211.367188 MB of memory in use. ENERGY: 4550200 765.0653 2085.7022 1944.5707 120.2901 -206345.0109 17888.8477 0.0000 0.0000 34131.3755 -149409.1595 298.0778 -183540.5350 -149319.6037 298.7215 -23.8859 7.4076 558215.5411 -10.5875 -10.6351 PRESSURE: 4550400 -55.1879 92.2666 82.3422 92.2673 -112.57 47.6895 82.3419 47.6893 133.778 GPRESSURE: 4550400 5.76418 24.3334 37.6014 150.424 -92.8265 100.165 32.4503 29.5141 154.743 PRESSAVG: 4550400 -57.303 -2.78383 -32.979 -2.78381 11.6024 -41.1557 -32.9791 -41.1558 53.0674 GPRESSAVG: 4550400 -56.6652 -3.50645 -31.4984 0.425478 11.3492 -39.3862 -33.2249 -42.7934 52.7766 TIMING: 4550400 CPU: 13171.9, 0.00287745/step Wall: 13171.9, 0.00287745/step, 0.359361 hours remaining, 211.367188 MB of memory in use. ENERGY: 4550400 740.0472 2043.2528 1949.3104 106.3493 -206083.6933 17694.1659 0.0000 0.0000 34303.9340 -149246.6338 299.5848 -183550.5678 -149147.8876 299.1293 -11.3265 22.5602 557742.7777 2.4556 2.4868 PRESSURE: 4550600 32.0197 -109.63 68.2861 -109.63 -49.8536 -184.401 68.2862 -184.401 -175.143 GPRESSURE: 4550600 3.815 -176.315 156.073 -47.5577 42.5472 -138.465 11.8915 -219.096 -147.112 PRESSAVG: 4550600 -10.2079 -6.23304 35.0519 -6.23308 34.8687 -30.3839 35.0519 -30.3838 -49.9211 GPRESSAVG: 4550600 -10.2933 -8.07667 34.4029 -9.19816 34.7735 -32.5558 34.3854 -29.686 -49.9519 TIMING: 4550600 CPU: 13172.5, 0.00287829/step Wall: 13172.5, 0.00287828/step, 0.359306 hours remaining, 211.367188 MB of memory in use. ENERGY: 4550600 741.3910 2105.3310 1956.0850 108.6612 -205801.0498 17656.9436 0.0000 0.0000 34162.9871 -149069.6508 298.3539 -183232.6380 -148973.0836 298.6845 -64.3255 -33.5834 558921.0370 -8.4201 -8.4906 PRESSURE: 4550800 -122.087 -1.82299 44.9429 -1.82296 18.1372 -23.599 44.9425 -23.6007 177.438 GPRESSURE: 4550800 -16.8909 -38.4645 38.4939 -9.93867 -5.80121 -89.4205 117.848 73.5129 192.736 PRESSAVG: 4550800 -6.228 -26.8677 25.0869 -26.8677 12.0382 12.8929 25.0871 12.893 18.3908 GPRESSAVG: 4550800 -7.18793 -24.6815 24.8759 -26.7823 12.4841 14.2521 23.4115 12.954 19.5288 TIMING: 4550800 CPU: 13173.1, 0.00287781/step Wall: 13173.1, 0.00287781/step, 0.359086 hours remaining, 211.367188 MB of memory in use. ENERGY: 4550800 733.7437 2087.3796 1942.5298 114.0107 -206202.5571 17837.6205 0.0000 0.0000 34244.9616 -149242.3112 299.0698 -183487.2727 -149148.3974 299.5367 24.4958 56.6813 558197.8572 8.0670 8.2750 PRESSURE: 4551000 -163.523 28.9439 249.277 28.9424 -322.485 -33.3361 249.277 -33.3361 117.781 GPRESSURE: 4551000 -155.405 31.0394 227.484 6.90291 -258.758 -99.1356 323.569 -4.33134 134.14 PRESSAVG: 4551000 3.40425 -35.7874 12.0594 -35.7874 -2.04528 -3.98961 12.0594 -3.98955 20.3675 GPRESSAVG: 4551000 3.62477 -34.7518 14.4307 -34.9237 -0.362746 -2.83615 12.4596 -4.81179 18.2374 TIMING: 4551000 CPU: 13173.7, 0.00288142/step Wall: 13173.7, 0.00288142/step, 0.359377 hours remaining, 211.367188 MB of memory in use. ENERGY: 4551000 747.6178 2060.4443 1967.7652 105.1771 -206491.1396 17893.7168 0.0000 0.0000 34440.9668 -149275.4514 300.7815 -183716.4182 -149175.5461 299.6606 -122.7423 -93.3411 556939.8175 7.2422 7.1665 PRESSURE: 4551200 -119.533 -132.474 8.52542 -132.474 -44.9364 111.945 8.52819 111.945 118.879 GPRESSURE: 4551200 -50.857 -97.4144 37.5608 -132.201 -45.943 173.925 35.5391 85.2229 140.37 PRESSAVG: 4551200 31.594 -53.7979 54.1297 -53.7978 -29.4913 -11.7257 54.1297 -11.7257 46.9574 GPRESSAVG: 4551200 32.0433 -54.8535 51.9111 -53.6705 -30.4597 -11.8919 55.0237 -10.1361 47.6971 TIMING: 4551200 CPU: 13174.2, 0.0028817/step Wall: 13174.2, 0.0028817/step, 0.359252 hours remaining, 211.367188 MB of memory in use. ENERGY: 4551200 739.5351 2107.7373 1941.9855 114.1212 -206428.9368 17943.9593 0.0000 0.0000 34432.5883 -149149.0101 300.7084 -183581.5984 -149047.2300 299.8601 -15.1970 14.5232 557911.7945 16.3534 16.4269 PRESSURE: 4551400 -66.0544 -91.5824 215.674 -91.5822 -93.5221 62.6177 215.674 62.6182 -116.196 GPRESSURE: 4551400 -34.5967 -95.2679 162.088 -87.2323 -48.4377 30.078 183.17 -5.24202 -112.833 PRESSAVG: 4551400 -30.0507 -31.6163 9.10718 -31.6163 -12.324 -31.6693 9.10722 -31.6694 51.1101 GPRESSAVG: 4551400 -30.663 -33.5649 10.4324 -30.8698 -11.4467 -32.9514 8.51694 -30.6007 51.1808 TIMING: 4551400 CPU: 13174.8, 0.00286181/step Wall: 13174.8, 0.00286181/step, 0.356614 hours remaining, 211.367188 MB of memory in use. ENERGY: 4551400 733.1894 2132.5611 1930.7762 117.7566 -205986.1485 17689.2513 0.0000 0.0000 34347.6760 -149034.9378 299.9668 -183382.6138 -148941.9708 300.1054 -91.9242 -65.2891 558735.3377 2.9118 3.0237 PRESSURE: 4551600 -330.788 192.037 78.2587 192.037 -411.352 -147.621 78.2589 -147.623 -361.511 GPRESSURE: 4551600 -376.385 193.557 141.597 147.557 -333.21 -135.634 -5.09727 -120.291 -293.942 PRESSAVG: 4551600 9.93479 12.2685 12.4296 12.2686 -21.9831 -11.8653 12.4296 -11.8653 -9.31081 GPRESSAVG: 4551600 10.3209 11.5462 10.5762 12.4814 -21.3096 -9.04389 14.6179 -14.0369 -10.1497 TIMING: 4551600 CPU: 13175.4, 0.00287046/step Wall: 13175.4, 0.00287046/step, 0.357532 hours remaining, 211.367188 MB of memory in use. ENERGY: 4551600 748.5656 2087.3928 1970.9691 120.0814 -205529.0922 17365.2624 0.0000 0.0000 34201.8276 -149034.9933 298.6931 -183236.8209 -148931.4404 300.2384 -367.8832 -334.5124 559082.7076 -7.1197 -7.0461 PRESSURE: 4551800 -95.4698 -96.1655 30.0713 -96.1641 -63.1833 -185.699 30.0709 -185.699 -13.8544 GPRESSURE: 4551800 -65.7705 -98.1649 32.3126 -223.775 -21.7531 -146.441 47.4999 -217.571 22.4665 PRESSAVG: 4551800 84.1366 -35.2384 -42.4274 -35.2384 -15.7672 -34.4227 -42.4275 -34.4228 -20.0588 GPRESSAVG: 4551800 84.5507 -34.803 -41.028 -35.1422 -16.2377 -34.3666 -43.2618 -34.7736 -19.7333 TIMING: 4551800 CPU: 13176, 0.00287138/step Wall: 13176, 0.00287138/step, 0.357487 hours remaining, 211.367188 MB of memory in use. ENERGY: 4551800 785.8538 2042.2185 1965.1915 109.2068 -206121.0773 17875.2593 0.0000 0.0000 34257.3524 -149085.9951 299.1780 -183343.3475 -148993.2798 299.0639 -57.5025 -21.6857 558200.6949 16.1035 16.1932 PRESSURE: 4552000 -188.259 101.419 15.2808 101.418 -21.5779 -48.9145 15.2808 -48.9136 -98.1291 GPRESSURE: 4552000 -138.301 84.3834 -53.9491 134.307 3.1218 -4.64277 95.9172 -62.0425 -81.4568 PRESSAVG: 4552000 -18.9175 49.1901 -33.5167 49.1901 -0.541918 -14.5603 -33.5168 -14.5604 -19.5186 GPRESSAVG: 4552000 -19.1292 50.5264 -34.6727 46.7947 -0.296575 -18.1192 -34.0827 -13.9417 -19.6813 TIMING: 4552000 CPU: 13176.5, 0.00286879/step Wall: 13176.5, 0.00286879/step, 0.357005 hours remaining, 211.367188 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: 4552000 738.5535 2120.8871 1934.0750 103.6608 -205782.5543 17565.4298 0.0000 0.0000 34104.6228 -149215.3253 297.8442 -183319.9481 -149118.3168 298.7148 -102.6554 -72.2120 558447.1418 -12.9927 -13.0357 PRESSURE: 4552200 -198.923 -115.412 36.4298 -115.411 -146.632 15.1823 36.4302 15.1825 -93.7745 GPRESSURE: 4552200 -187.363 -129.032 55.1927 -102.218 -100.405 -96.9911 -11.9559 -3.0956 -42.6336 PRESSAVG: 4552200 18.2359 -15.6058 -14.5239 -15.6058 -0.356676 -6.48776 -14.5238 -6.48771 -18.7419 GPRESSAVG: 4552200 17.789 -16.9057 -15.7286 -13.3465 0.10039 -6.69874 -13.0263 -6.04175 -18.1603 TIMING: 4552200 CPU: 13177.1, 0.00286452/step Wall: 13177.1, 0.00286452/step, 0.356315 hours remaining, 211.367188 MB of memory in use. ENERGY: 4552200 739.3669 2126.0990 1919.9771 114.5251 -205595.7106 17574.4093 0.0000 0.0000 34043.4299 -149077.9033 297.3097 -183121.3332 -148989.5464 298.7631 -146.4430 -110.1339 559084.6938 -0.2876 -0.0903 LDB: ============= START OF LOAD BALANCING ============== 13180.5 LDB: ============== END OF LOAD BALANCING =============== 13180.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13180.5 LDB: ============= START OF LOAD BALANCING ============== 13180.8 LDB: Largest compute 4772 load 0.025541 is 21.6% of average load 0.118024 LDB: Average compute 0.001714 is 1.5% of average load 0.118024 LDB: TIME 13180.8 LOAD: AVG 0.118024 MAX 0.177983 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.207 MB LDB: TIME 13180.8 LOAD: AVG 0.118024 MAX 0.177983 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.207 MB LDB: TIME 13180.8 LOAD: AVG 0.118024 MAX 0.177983 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13180.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13180.8 PRESSURE: 4552400 87.5043 79.3596 -98.9935 79.3596 74.2544 -120.072 -98.9938 -120.07 174.381 GPRESSURE: 4552400 98.9481 61.5338 -21.0664 70.4226 92.2232 -142.039 -148.554 -125.713 234.385 PRESSAVG: 4552400 36.323 -17.1482 2.57248 -17.1482 -11.1967 -61.9366 2.57238 -61.9367 21.8179 GPRESSAVG: 4552400 36.5114 -16.1278 5.01594 -18.8755 -12.279 -60.3486 0.557634 -61.2892 22.5396 TIMING: 4552400 CPU: 13177.7, 0.0029148/step Wall: 13177.7, 0.0029148/step, 0.362407 hours remaining, 211.894531 MB of memory in use. ENERGY: 4552400 723.6266 2135.7500 1919.5110 99.8733 -206361.9956 17951.1649 0.0000 0.0000 34403.1013 -149128.9686 300.4508 -183532.0698 -149036.1808 299.5959 112.0466 141.8519 558390.6787 15.6480 15.5907 PRESSURE: 4552600 158.347 -127.261 -129.805 -127.261 99.5682 -47.2858 -129.807 -47.2864 229.441 GPRESSURE: 4552600 175.746 -138.833 -73.9544 -117.475 88.0011 -159.724 -195.143 13.5855 295.408 PRESSAVG: 4552600 67.8913 -33.6604 43.9833 -33.6604 -17.1059 -13.1028 43.9834 -13.1028 -61.9214 GPRESSAVG: 4552600 68.8605 -31.3299 42.7577 -32.3962 -17.215 -13.8203 43.8658 -12.2606 -63.1471 TIMING: 4552600 CPU: 13178.3, 0.00287124/step Wall: 13178.3, 0.00287124/step, 0.356831 hours remaining, 211.894531 MB of memory in use. ENERGY: 4552600 771.5899 2081.6782 1930.4482 108.2698 -206409.1818 18094.5896 0.0000 0.0000 34411.4587 -149011.1475 300.5238 -183422.6061 -148911.5378 299.0324 162.4522 186.3851 558173.1721 -3.7120 -3.8339 PRESSURE: 4552800 -70.4143 -83.1256 102.284 -83.127 78.9927 144.456 102.284 144.456 76.2883 GPRESSURE: 4552800 -40.7605 -89.8697 134.259 -45.1725 64.0245 122.777 -2.81578 232.459 151.105 PRESSAVG: 4552800 -26.3045 -51.5204 27.2988 -51.5203 -22.4558 49.3196 27.2988 49.3196 27.8767 GPRESSAVG: 4552800 -26.3508 -54.0538 27.7346 -51.6576 -22.4542 51.4219 28.4074 46.2474 27.7635 TIMING: 4552800 CPU: 13178.8, 0.00286976/step Wall: 13178.8, 0.00286976/step, 0.356488 hours remaining, 211.894531 MB of memory in use. ENERGY: 4552800 727.3955 2116.0445 1940.0018 120.2897 -206178.4436 17840.7375 0.0000 0.0000 34498.8616 -148935.1131 301.2871 -183433.9747 -148840.7372 299.8592 28.2889 58.1231 558866.8007 -6.9612 -7.0139 PRESSURE: 4553000 71.784 43.789 -25.4142 43.7888 -231.389 39.6915 -25.4139 39.692 -187.175 GPRESSURE: 4553000 65.9561 44.969 20.3915 6.67403 -140.994 91.5616 10.8076 49.8273 -179.383 PRESSAVG: 4553000 56.8797 -54.4014 59.2955 -54.4014 -43.3281 43.3201 59.2956 43.32 -1.01658 GPRESSAVG: 4553000 56.3418 -54.4074 58.794 -53.5674 -42.7631 43.8283 60.5167 45.5167 -0.377848 TIMING: 4553000 CPU: 13179.4, 0.0028695/step Wall: 13179.4, 0.0028695/step, 0.356296 hours remaining, 211.894531 MB of memory in use. ENERGY: 4553000 740.1244 2088.6402 1938.1248 104.7324 -205540.1717 17498.9614 0.0000 0.0000 34242.8587 -148926.7298 299.0514 -183169.5885 -148829.5169 300.8077 -115.5934 -84.8070 560029.7183 4.1784 4.4003 PRESSURE: 4553200 -147.557 5.51098 -17.0425 5.51164 49.9012 0.481332 -17.0425 0.478316 102.808 GPRESSURE: 4553200 -55.2513 32.8829 15.9172 47.7725 14.2065 -30.0179 -131.427 38.407 154.664 PRESSAVG: 4553200 53.2632 -33.9181 10.42 -33.9181 -18.3377 87.5574 10.4202 87.5572 -38.7207 GPRESSAVG: 4553200 54.2933 -32.9036 11.5195 -33.6647 -17.4118 85.5936 7.62198 87.7568 -40.2706 TIMING: 4553200 CPU: 13180, 0.00287896/step Wall: 13180, 0.00287896/step, 0.357311 hours remaining, 211.894531 MB of memory in use. ENERGY: 4553200 704.5961 2096.4028 1930.6974 111.5219 -206062.3124 17782.7737 0.0000 0.0000 34275.1553 -149161.1652 299.3335 -183436.3205 -149065.4565 299.6217 1.7174 37.8729 556799.8141 -1.2651 -1.1297 PRESSURE: 4553400 45.4765 -106.582 110.939 -106.583 -58.2047 -95.6102 110.939 -95.6094 -120.398 GPRESSURE: 4553400 124.97 -142.772 83.8428 -79.2746 -49.9215 -208.754 110.25 23.9806 -107.202 PRESSAVG: 4553400 11.2537 -58.9098 35.8131 -58.9099 8.71017 -35.373 35.8132 -35.373 -6.50511 GPRESSAVG: 4553400 9.35043 -60.3607 34.569 -59.5657 9.03167 -35.1123 36.9817 -35.7606 -4.72763 TIMING: 4553400 CPU: 13180.6, 0.00287699/step Wall: 13180.6, 0.00287699/step, 0.356907 hours remaining, 211.894531 MB of memory in use. ENERGY: 4553400 744.5115 2121.6964 1942.4439 120.3890 -206083.2921 17630.7424 0.0000 0.0000 34138.1275 -149385.3814 298.1368 -183523.5089 -149293.9607 299.0579 -44.3754 -10.7180 556364.3063 4.4862 4.5515 PRESSURE: 4553600 -97.6469 40.1127 89.1918 40.1118 5.0579 37.7506 89.1923 37.7499 104.853 GPRESSURE: 4553600 -28.4484 3.80885 26.5892 65.0666 17.6823 31.8021 127.168 14.0974 128.636 PRESSAVG: 4553600 32.3011 35.8755 0.197229 35.8755 -88.1982 49.6413 0.197393 49.6413 83.3344 GPRESSAVG: 4553600 35.1134 36.563 -0.0608753 36.4218 -90.7095 50.2558 -0.499594 48.5689 82.7822 TIMING: 4553600 CPU: 13181.1, 0.00288663/step Wall: 13181.1, 0.00288663/step, 0.357943 hours remaining, 211.894531 MB of memory in use. ENERGY: 4553600 747.0763 2131.7191 1946.7895 119.3658 -206219.0043 17762.9950 0.0000 0.0000 34212.2185 -149298.8401 298.7838 -183511.0586 -149202.0458 299.2192 4.0881 39.2900 557111.1925 9.1458 9.0620 PRESSURE: 4553800 -121.25 44.5057 -36.0467 44.5056 97.252 -66.3705 -36.0468 -66.3705 -55.9127 GPRESSURE: 4553800 -64.8405 58.8981 -34.9735 39.0072 97.4163 -20.9847 21.6198 -114.918 -16.1272 PRESSAVG: 4553800 -28.3786 -12.0449 17.9803 -12.045 -9.94407 16.6213 17.9802 16.6213 4.81053 GPRESSAVG: 4553800 -29.1709 -11.4765 17.7919 -10.5396 -9.52423 17.0178 17.7506 15.6086 5.07397 TIMING: 4553800 CPU: 13181.7, 0.00287773/step Wall: 13181.7, 0.00287773/step, 0.356679 hours remaining, 211.894531 MB of memory in use. ENERGY: 4553800 765.1885 2087.6071 1947.6181 112.7141 -206398.3547 17844.6700 0.0000 0.0000 34206.9655 -149433.5913 298.7379 -183640.5568 -149339.4715 298.9794 -26.6370 5.4829 557314.8351 -11.1707 -11.2070 PRESSURE: 4554000 131.312 -67.9335 -49.5413 -67.9349 135.375 -24.6496 -49.5401 -24.6507 159.834 GPRESSURE: 4554000 201.885 -6.24661 -74.4994 -28.2453 190.357 -4.27741 59.1976 -0.161719 145.625 PRESSAVG: 4554000 -0.231568 18.0706 10.6192 18.0706 23.5132 21.1294 10.6192 21.1294 -55.4276 GPRESSAVG: 4554000 -1.70451 17.318 12.0821 16.9725 25.6614 20.4924 11.1353 22.9771 -55.6088 TIMING: 4554000 CPU: 13182.3, 0.00288268/step Wall: 13182.3, 0.00288268/step, 0.357132 hours remaining, 211.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4554000 693.3969 2084.6848 1953.5235 113.0368 -206371.4270 17974.1225 0.0000 0.0000 34070.8100 -149481.8524 297.5489 -183552.6624 -149388.4569 299.0447 142.1738 179.2892 555740.2443 -10.7153 -10.5506 PRESSURE: 4554200 -37.8791 -81.3465 49.486 -81.3475 -68.5576 -30.9076 49.487 -30.9085 78.2661 GPRESSURE: 4554200 18.6195 -75.3036 28.3835 -51.1261 -65.4337 -27.2616 -18.8111 10.4879 116.275 PRESSAVG: 4554200 59.3718 9.86305 -12.7127 9.86307 17.7339 -8.78216 -12.7127 -8.78225 -19.5682 GPRESSAVG: 4554200 59.5817 8.77807 -10.8022 9.71223 16.7508 -8.61588 -14.8158 -8.86759 -19.1406 TIMING: 4554200 CPU: 13182.9, 0.0028688/step Wall: 13182.9, 0.0028688/step, 0.355253 hours remaining, 211.894531 MB of memory in use. ENERGY: 4554200 772.4182 2160.1276 1947.5547 104.4563 -206215.5780 17705.0162 0.0000 0.0000 34144.6960 -149381.3090 298.1941 -183526.0050 -149293.0529 298.9887 -9.3902 23.1537 556277.8906 19.1792 19.0640 PRESSURE: 4554400 -3.98496 -222.772 -28.2673 -222.772 -289.706 141.972 -28.2683 141.971 -42.7459 GPRESSURE: 4554400 16.8276 -186.632 -85.754 -234.613 -210.793 191.791 -25.8987 48.8907 -32.8688 PRESSAVG: 4554400 -10.5362 -27.7227 -13.1963 -27.7227 -9.80488 32.8245 -13.1963 32.8246 23.5583 GPRESSAVG: 4554400 -10.2323 -26.7204 -16.101 -29.7067 -9.75175 32.2461 -12.0756 32.7848 22.5091 TIMING: 4554400 CPU: 13183.5, 0.0028759/step Wall: 13183.5, 0.0028759/step, 0.355972 hours remaining, 211.894531 MB of memory in use. ENERGY: 4554400 748.2846 2057.7509 1927.6451 105.7366 -206071.7458 17594.8117 0.0000 0.0000 34269.7135 -149367.8034 299.2859 -183637.5169 -149268.3404 298.8290 -112.1456 -75.6113 556947.0282 1.0724 0.8417 PRESSURE: 4554600 -15.6462 42.7461 -26.6785 42.7461 -162.227 109.782 -26.6779 109.781 -15.5736 GPRESSURE: 4554600 -14.5445 -7.95119 11.3772 83.1485 -146.241 115.303 20.1193 111.761 65.6636 PRESSAVG: 4554600 79.4666 -84.9206 -44.933 -84.9206 -23.5589 51.6342 -44.933 51.6342 -47.8054 GPRESSAVG: 4554600 78.9065 -85.96 -43.5085 -82.143 -24.2603 50.6414 -44.7043 51.674 -46.7535 TIMING: 4554600 CPU: 13184, 0.00287201/step Wall: 13184, 0.00287201/step, 0.355332 hours remaining, 211.894531 MB of memory in use. ENERGY: 4554600 753.7801 2061.2061 1969.7323 109.9167 -206190.3666 17796.4749 0.0000 0.0000 34170.3897 -149328.8669 298.4185 -183499.2565 -149228.4491 298.5535 -64.4824 -31.7074 556135.7035 2.7008 2.6309 PRESSURE: 4554800 23.1985 29.5104 -225.022 29.5104 68.7159 35.2949 -225.022 35.2942 -3.23411 GPRESSURE: 4554800 97.8163 37.3813 -215.835 23.8195 150.347 88.9611 -165.437 84.4433 -56.2208 PRESSAVG: 4554800 18.0606 9.02737 -65.5042 9.02741 3.11921 -19.0918 -65.5041 -19.0917 35.2104 GPRESSAVG: 4554800 17.8781 10.9371 -65.6278 7.95808 3.57427 -18.9526 -63.8272 -18.5346 35.0163 TIMING: 4554800 CPU: 13184.6, 0.00288564/step Wall: 13184.6, 0.00288564/step, 0.356858 hours remaining, 211.894531 MB of memory in use. ENERGY: 4554800 760.7943 2033.9222 1947.5386 106.4614 -206333.8052 17699.2654 0.0000 0.0000 34569.4319 -149216.3913 301.9034 -183785.8232 -149115.3312 298.7877 29.5601 63.9809 555064.6322 18.7968 18.8229 PRESSURE: 4555000 -128.494 114.467 -48.7085 114.466 -259.758 247.8 -48.7082 247.801 86.1086 GPRESSURE: 4555000 -100.31 116.593 -114.69 171.421 -219.612 230.178 12.816 263.523 123.915 PRESSAVG: 4555000 -73.0838 -13.3899 16.5645 -13.3899 2.5893 38.7894 16.5645 38.7894 67.0605 GPRESSAVG: 4555000 -71.7424 -14.2921 14.9381 -12.5947 0.670433 38.2858 15.9202 36.3482 67.5064 TIMING: 4555000 CPU: 13185.2, 0.00288878/step Wall: 13185.2, 0.00288878/step, 0.357085 hours remaining, 211.894531 MB of memory in use. ENERGY: 4555000 738.3717 2069.9351 1960.0599 117.1072 -206068.0430 17798.5068 0.0000 0.0000 34213.4710 -149170.5914 298.7948 -183384.0623 -149076.0154 299.4886 -100.7144 -65.3358 556519.3220 -1.1447 -1.1885 PRESSURE: 4555200 22.0494 122.361 190.434 122.361 134.256 -15.5029 190.434 -15.5037 -48.1601 GPRESSURE: 4555200 72.8107 62.678 111.723 123.254 163.85 38.9825 257.066 33.4751 -6.62591 PRESSAVG: 4555200 -70.7568 31.1802 24.6032 31.1803 -20.6554 31.9898 24.6032 31.9897 57.2019 GPRESSAVG: 4555200 -71.6777 33.6764 26.2112 29.5132 -18.1672 33.741 23.6281 34.6745 55.5308 TIMING: 4555200 CPU: 13185.8, 0.00289112/step Wall: 13185.8, 0.00289112/step, 0.357214 hours remaining, 211.894531 MB of memory in use. ENERGY: 4555200 759.9871 2132.3704 1917.8297 115.1760 -206260.5986 17946.7165 0.0000 0.0000 34147.0459 -149241.4730 298.2146 -183388.5189 -149147.1964 298.6125 36.0485 76.6782 556671.5564 -11.4034 -11.4380 PRESSURE: 4555400 9.2769 -52.7747 112.889 -52.7771 96.5222 -63.4009 112.889 -63.4006 -138.944 GPRESSURE: 4555400 -27.2703 -56.6786 204.151 -111.34 167.458 -19.3612 89.8368 20.5392 -74.7769 PRESSAVG: 4555400 36.24 27.5781 6.30398 27.5782 -17.4209 57.4099 6.30394 57.4099 -5.18866 GPRESSAVG: 4555400 37.1747 26.5804 7.85763 30.0764 -18.6172 58.2859 5.32171 56.98 -4.97127 TIMING: 4555400 CPU: 13186.3, 0.00287707/step Wall: 13186.3, 0.00287707/step, 0.355318 hours remaining, 211.894531 MB of memory in use. ENERGY: 4555400 758.9145 2115.7010 1939.7676 110.0565 -206089.7902 17790.1488 0.0000 0.0000 34110.4289 -149264.7729 297.8949 -183375.2018 -149172.6525 298.8227 -11.0483 21.8035 556201.5002 4.5435 4.5287 PRESSURE: 4555600 308.623 -25.1642 -91.8655 -25.1638 320.602 28.5868 -91.8661 28.5875 299.371 GPRESSURE: 4555600 374.153 -76.808 -11.867 17.8964 309.138 63.9631 -16.7394 -19.5983 354.771 PRESSAVG: 4555600 -10.0904 -71.7285 -36.278 -71.7285 13.3177 -43.1213 -36.2778 -43.1212 20.9118 GPRESSAVG: 4555600 -9.91784 -73.0106 -37.7227 -71.4202 13.8971 -44.4861 -35.2913 -44.4809 20.2893 TIMING: 4555600 CPU: 13186.9, 0.0028794/step Wall: 13186.9, 0.0028794/step, 0.355446 hours remaining, 211.894531 MB of memory in use. ENERGY: 4555600 732.6523 2038.5162 1919.5812 93.7281 -206392.7373 18223.9245 0.0000 0.0000 34208.0088 -149176.3262 298.7470 -183384.3350 -149085.5007 298.8213 309.5320 346.0205 555631.0336 8.0463 8.0895 PRESSURE: 4555800 263.63 7.76501 -48.8989 7.76536 16.397 -30.0512 -48.8993 -30.0511 -14.0218 GPRESSURE: 4555800 266.792 -58.2965 13.038 49.836 94.7413 -9.21693 -71.6696 19.577 10.8989 PRESSAVG: 4555800 1.97147 19.0576 -30.7862 19.0575 -6.66612 3.24496 -30.7862 3.24498 -35.7004 GPRESSAVG: 4555800 2.7896 18.9459 -32.4509 17.3755 -7.97471 3.03378 -30.4603 4.02863 -35.7502 TIMING: 4555800 CPU: 13187.5, 0.00289918/step Wall: 13187.5, 0.00289918/step, 0.357727 hours remaining, 211.894531 MB of memory in use. ENERGY: 4555800 726.3339 2107.9260 1907.3900 114.5294 -206148.9119 17860.7521 0.0000 0.0000 34259.9582 -149172.0224 299.2007 -183431.9806 -149082.9625 299.3609 88.6685 124.1441 556726.2613 -13.4650 -13.6451 PRESSURE: 4556000 -63.3176 -67.6721 -21.5125 -67.6716 151.087 -4.73452 -21.5127 -4.73518 -11.9184 GPRESSURE: 4556000 -45.5958 -40.4108 10.9854 -98.2898 235.192 -7.7831 -3.61734 16.9265 -12.2465 PRESSAVG: 4556000 15.9248 47.8872 -31.3127 47.8873 5.24197 27.3597 -31.3129 27.3597 4.10905 GPRESSAVG: 4556000 14.5838 50.0687 -30.0938 48.6125 6.01477 27.505 -30.8555 29.5113 4.9052 TIMING: 4556000 CPU: 13188.1, 0.00287044/step Wall: 13188.1, 0.00287044/step, 0.354021 hours remaining, 211.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4556000 750.2239 2055.6329 1954.9175 109.3037 -206315.2170 17891.2891 0.0000 0.0000 34307.5816 -149246.2683 299.6166 -183553.8499 -149142.8219 299.4828 25.2835 59.1165 557313.3069 8.4253 8.5013 PRESSURE: 4556200 -32.6012 24.6214 -78.1294 24.6221 -290.987 -120.302 -78.1289 -120.302 -373.258 GPRESSURE: 4556200 34.6535 21.5529 -141.297 -0.787977 -276.259 -86.9383 -108.8 -184.824 -354.028 PRESSAVG: 4556200 -10.9702 -24.516 -58.8506 -24.5159 19.6842 -1.70625 -58.8505 -1.7062 -44.6653 GPRESSAVG: 4556200 -10.6197 -27.8394 -59.3841 -23.1251 18.9969 -1.40466 -59.088 -2.89603 -43.9746 TIMING: 4556200 CPU: 13188.6, 0.0028708/step Wall: 13188.6, 0.0028708/step, 0.353906 hours remaining, 211.894531 MB of memory in use. ENERGY: 4556200 771.7264 2123.4575 1922.8152 95.3128 -206082.2447 17642.1474 0.0000 0.0000 34255.2589 -149271.5263 299.1597 -183526.7852 -149175.4075 298.6841 -232.2823 -198.5447 558669.6056 -11.9838 -11.8658 LDB: ============= START OF LOAD BALANCING ============== 13192 LDB: ============== END OF LOAD BALANCING =============== 13192 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13192 LDB: ============= START OF LOAD BALANCING ============== 13192.3 LDB: Largest compute 4772 load 0.027112 is 23.0% of average load 0.118009 LDB: Average compute 0.001722 is 1.5% of average load 0.118009 LDB: TIME 13192.3 LOAD: AVG 0.118009 MAX 0.180835 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 13192.3 LOAD: AVG 0.118009 MAX 0.180835 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: TIME 13192.3 LOAD: AVG 0.118009 MAX 0.180835 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13192.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13192.3 PRESSURE: 4556400 4.00864 8.45166 -132.993 8.45149 352.675 93.4729 -132.992 93.4708 128.677 GPRESSURE: 4556400 89.5063 51.1628 -81.6111 -15.4841 354.125 108.105 -123.243 97.4192 130.55 PRESSAVG: 4556400 53.3996 -8.57968 -25.8852 -8.57973 -18.0733 15.8541 -25.8853 15.8542 -57.7376 GPRESSAVG: 4556400 53.2455 -7.57512 -25.4777 -9.11317 -17.7527 15.5733 -26.4827 16.4878 -57.8746 TIMING: 4556400 CPU: 13189.2, 0.00294861/step Wall: 13189.2, 0.00294861/step, 0.363334 hours remaining, 210.289062 MB of memory in use. ENERGY: 4556400 738.1606 2134.1555 1916.6673 104.7459 -206300.1219 17946.0598 0.0000 0.0000 34284.6293 -149175.7036 299.4162 -183460.3329 -149079.0834 299.1509 161.7870 191.3936 555671.5641 -7.4704 -7.4606 PRESSURE: 4556600 -73.2066 -153.771 51.0029 -153.769 -254.533 27.1406 51.0016 27.1423 145.402 GPRESSURE: 4556600 -13.229 -197.274 -66.5583 -106.172 -219.023 19.2093 41.6146 6.08862 146.744 PRESSAVG: 4556600 42.2381 -42.759 -16.5247 -42.759 30.5805 18.5383 -16.5246 18.5384 -31.0512 GPRESSAVG: 4556600 42.6252 -42.0201 -16.5789 -42.3004 31.0192 19.0311 -16.8505 18.3643 -32.2675 TIMING: 4556600 CPU: 13189.8, 0.00288557/step Wall: 13189.8, 0.00288557/step, 0.355406 hours remaining, 210.492188 MB of memory in use. ENERGY: 4556600 721.5640 2091.0728 1920.2879 102.8539 -205949.0797 17615.7645 0.0000 0.0000 34237.4291 -149260.1076 299.0040 -183497.5366 -149162.6109 299.8666 -60.7794 -28.5029 557821.4707 13.9224 13.7923 PRESSURE: 4556800 -46.5232 26.4132 -22.5159 26.4119 175.323 165.808 -22.5161 165.807 -260.015 GPRESSURE: 4556800 -25.5944 45.4045 27.4541 -35.3878 245.841 291.645 -25.5743 111.606 -255.556 PRESSAVG: 4556800 48.3795 -16.3974 7.01883 -16.3975 67.9903 -14.9458 7.01886 -14.9459 -84.0644 GPRESSAVG: 4556800 47.0111 -16.334 6.21948 -16.8284 67.2399 -13.4236 8.66978 -14.8495 -82.7479 TIMING: 4556800 CPU: 13190.4, 0.0028867/step Wall: 13190.4, 0.0028867/step, 0.355385 hours remaining, 210.492188 MB of memory in use. ENERGY: 4556800 753.1536 2093.9260 1924.0152 110.9770 -206195.9801 17883.8440 0.0000 0.0000 34263.8165 -149166.2478 299.2344 -183430.0643 -149071.9646 299.8331 -43.7384 -11.7700 558320.3045 10.7685 10.5010 PRESSURE: 4557000 -42.1117 -236.687 164.08 -236.686 -121.689 24.6097 164.081 24.6101 -20.4558 GPRESSURE: 4557000 -51.6193 -159.319 207.629 -281.277 -87.7029 57.7386 133.065 -76.9784 57.309 PRESSAVG: 4557000 48.8109 -60.4168 -34.0776 -60.4169 -0.23733 -20.7921 -34.0777 -20.7921 -48.9428 GPRESSAVG: 4557000 49.3125 -60.4474 -34.9767 -58.5279 -0.296913 -21.0518 -34.6009 -23.6128 -49.6951 TIMING: 4557000 CPU: 13191, 0.00287026/step Wall: 13191, 0.00287026/step, 0.353201 hours remaining, 210.492188 MB of memory in use. ENERGY: 4557000 753.7311 2091.6165 1938.8378 117.3281 -205828.8121 17738.6946 0.0000 0.0000 34140.8963 -149047.7077 298.1609 -183188.6040 -148952.4251 299.5755 -61.4188 -27.3377 559264.8023 -0.1231 -0.2265 PRESSURE: 4557200 225.964 -147 -36.5135 -146.999 -67.7025 -165.239 -36.5123 -165.238 -84.9528 GPRESSURE: 4557200 321.868 -140.883 -90.7959 -134.426 -74.0901 -119.414 -30.8704 -81.6523 -72.3879 PRESSAVG: 4557200 18.2377 -25.5706 -43.1045 -25.5706 -12.5064 15.9296 -43.1044 15.9296 -5.99537 GPRESSAVG: 4557200 18.8096 -24.0294 -42.1171 -26.9996 -12.4047 13.7446 -43.621 19.238 -5.93881 TIMING: 4557200 CPU: 13191.5, 0.00289796/step Wall: 13191.5, 0.00289795/step, 0.356448 hours remaining, 210.492188 MB of memory in use. ENERGY: 4557200 713.2276 2125.7948 1923.6846 102.6508 -206005.6307 17713.0884 0.0000 0.0000 34384.7918 -149042.3927 300.2909 -183427.1845 -148949.5603 299.1868 24.4361 58.4635 557914.7123 -0.0880 0.1553 PRESSURE: 4557400 -86.1784 -9.01969 113.491 -9.02039 -8.09802 50.4984 113.494 50.4986 -143.785 GPRESSURE: 4557400 -14.4101 -14.4301 52.8017 74.7241 21.6033 -64.006 75.1537 73.0889 -149.423 PRESSAVG: 4557400 -35.4246 -21.6172 -54.4448 -21.6171 50.6653 16.3019 -54.4446 16.3018 -51.4004 GPRESSAVG: 4557400 -34.4952 -22.4301 -54.229 -22.2853 51.4036 16.0225 -54.1259 15.0717 -52.7319 TIMING: 4557400 CPU: 13192.1, 0.0028838/step Wall: 13192.1, 0.0028838/step, 0.354547 hours remaining, 210.492188 MB of memory in use. ENERGY: 4557400 813.7236 2086.3455 1930.9951 119.1673 -206570.0631 18186.3311 0.0000 0.0000 34414.6132 -149018.8873 300.5514 -183433.5004 -148919.4489 299.6690 -79.3538 -47.4099 558721.7066 -12.0532 -11.9412 PRESSURE: 4557600 -123.029 -47.1572 -143.147 -47.1573 -452.26 5.2045 -143.147 5.20459 48.6295 GPRESSURE: 4557600 -107.554 -84.2609 -195.152 -42.5261 -391.35 80.8035 -74.3942 9.58138 51.4935 PRESSAVG: 4557600 -13.9687 30.2879 36.2182 30.2878 9.10023 57.2248 36.2182 57.2248 9.42569 GPRESSAVG: 4557600 -14.4747 30.3374 34.5205 31.2614 8.566 59.371 36.4638 57.3923 10.3981 TIMING: 4557600 CPU: 13192.7, 0.00290318/step Wall: 13192.7, 0.00290318/step, 0.356768 hours remaining, 210.492188 MB of memory in use. ENERGY: 4557600 751.8941 2121.4122 1962.8047 120.5309 -205864.9451 17635.8850 0.0000 0.0000 34358.1086 -148914.3097 300.0579 -183272.4182 -148817.0188 299.9930 -175.5530 -149.1369 559145.2573 1.5191 1.4965 PRESSURE: 4557800 -21.0937 75.045 -39.7142 75.0446 -179.096 97.3103 -39.7135 97.3113 31.5089 GPRESSURE: 4557800 -10.4643 98.7386 -7.02571 -50.07 -123.866 142.786 -79.3283 40.2246 49.1669 PRESSAVG: 4557800 48.8902 -4.74637 20.2767 -4.74629 -21.7804 -12.0802 20.2767 -12.0802 -11.8331 GPRESSAVG: 4557800 47.2487 -4.14849 21.9449 -5.60919 -20.0757 -13.8796 20.8031 -10.8903 -12.0458 TIMING: 4557800 CPU: 13193.3, 0.00287904/step Wall: 13193.3, 0.00287904/step, 0.353642 hours remaining, 210.492188 MB of memory in use. ENERGY: 4557800 732.4648 2075.7319 1947.9726 134.1476 -206181.8717 17791.6512 0.0000 0.0000 34440.6396 -149059.2640 300.7787 -183499.9036 -148967.2832 299.4522 -56.2270 -28.3878 559442.5952 5.0922 5.0424 PRESSURE: 4558000 -100.553 92.5994 -36.6746 92.6003 11.0641 -30.5191 -36.6751 -30.5159 194.144 GPRESSURE: 4558000 -12.9797 47.0903 -53.2967 100.135 26.3645 -51.2573 -90.85 21.7195 177.498 PRESSAVG: 4558000 3.25007 -16.3924 10.6203 -16.3924 -48.6981 27.6717 10.6201 27.6717 44.8393 GPRESSAVG: 4558000 4.02872 -16.4948 11.9588 -16.7855 -49.8316 30.0982 9.53698 25.9462 45.0477 TIMING: 4558000 CPU: 13193.8, 0.00286049/step Wall: 13193.8, 0.00286049/step, 0.351205 hours remaining, 210.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4558000 761.6943 2082.9928 1931.0893 111.9015 -205983.6784 17899.0498 0.0000 0.0000 34344.8274 -148852.1233 299.9419 -183196.9508 -148757.9055 299.9485 34.8850 63.6275 559898.1211 -0.2029 -0.2517 PRESSURE: 4558200 19.396 -140.381 -71.6554 -140.378 -74.3191 -64.9152 -71.6556 -64.9158 -39.1371 GPRESSURE: 4558200 24.8201 -219.074 -200.881 -126.981 15.4097 -54.8325 -30.9333 -82.2527 -36.2473 PRESSAVG: 4558200 44.7202 64.1763 29.6537 64.1763 -37.1029 -15.7516 29.6536 -15.7517 7.05704 GPRESSAVG: 4558200 45.6357 63.6805 29.3504 63.693 -37.7199 -16.2038 30.2394 -16.4533 6.3584 TIMING: 4558200 CPU: 13194.4, 0.00289094/step Wall: 13194.4, 0.00289094/step, 0.354783 hours remaining, 210.492188 MB of memory in use. ENERGY: 4558200 749.8299 2082.8909 1953.6442 108.4359 -206168.2829 17843.5623 0.0000 0.0000 34467.0415 -148962.8782 301.0092 -183429.9198 -148867.1898 299.9144 -31.3534 1.3275 558305.3928 4.8914 4.7581 PRESSURE: 4558400 -4.48888 39.4574 52.9179 39.4563 9.49743 61.7448 52.9169 61.745 29.6637 GPRESSURE: 4558400 67.0974 -31.8347 9.61901 -6.84725 -26.3669 103.67 87.2914 79.885 91.6829 PRESSAVG: 4558400 -16.8824 -25.1331 3.62331 -25.133 28.1479 28.2479 3.62323 28.2479 61.1165 GPRESSAVG: 4558400 -16.938 -26.0788 2.22196 -23.7628 27.8903 27.3382 2.74856 30.0709 61.3451 TIMING: 4558400 CPU: 13195, 0.00287124/step Wall: 13195, 0.00287124/step, 0.352205 hours remaining, 210.492188 MB of memory in use. ENERGY: 4558400 761.1946 2051.7506 1955.5376 113.5986 -206297.4700 17970.5354 0.0000 0.0000 34601.3723 -148843.4809 302.1824 -183444.8532 -148747.4869 300.4903 11.5574 44.1378 558242.3347 24.1273 24.0991 PRESSURE: 4558600 -2.47278 5.9204 -72.2596 5.92117 -233.084 96.0221 -72.2607 96.0245 128.035 GPRESSURE: 4558600 -9.97647 80.3879 -33.7615 -84.1613 -143.59 59.7455 -97.4061 124.673 143.981 PRESSAVG: 4558600 46.6959 -6.48865 12.7097 -6.48859 -76.664 48.3283 12.7097 48.3282 -27.8554 GPRESSAVG: 4558600 45.9936 -5.53519 13.2542 -7.0561 -76.0681 48.3626 13.3616 47.2099 -28.0115 TIMING: 4558600 CPU: 13195.6, 0.00287175/step Wall: 13195.6, 0.00287175/step, 0.352108 hours remaining, 210.492188 MB of memory in use. ENERGY: 4558600 760.4868 2125.7101 1923.9037 114.6918 -205974.7568 17750.5436 0.0000 0.0000 34520.2594 -148779.1614 301.4740 -183299.4208 -148684.3687 301.0285 -35.8405 -3.1951 557523.8123 -19.2745 -19.3620 PRESSURE: 4558800 -240.501 105.499 -5.03067 105.499 -233.31 41.4403 -5.0303 41.4403 -300.255 GPRESSURE: 4558800 -219.541 156.021 -90.162 47.1266 -218.378 48.8794 44.694 14.9348 -253.481 PRESSAVG: 4558800 86.7936 22.3693 -11.2931 22.3693 -88.9223 32.3368 -11.293 32.3367 27.7835 GPRESSAVG: 4558800 86.9129 21.2198 -11.9229 23.8769 -88.6962 32.172 -10.978 32.2443 27.1457 TIMING: 4558800 CPU: 13196.1, 0.00287465/step Wall: 13196.1, 0.00287465/step, 0.352304 hours remaining, 210.492188 MB of memory in use. ENERGY: 4558800 791.6715 2058.8159 1946.5716 121.0889 -205611.7173 17600.6057 0.0000 0.0000 34301.1246 -148791.8393 299.5603 -183092.9639 -148698.9589 301.1717 -258.0220 -230.4667 558640.0150 8.5516 8.4541 PRESSURE: 4559000 -30.8202 46.3012 64.5325 46.3008 63.0294 52.9372 64.5321 52.9367 169.206 GPRESSURE: 4559000 76.8125 29.9755 64.9284 101.949 58.1121 109.248 39.2487 71.371 166.64 PRESSAVG: 4559000 -42.2672 26.7392 14.0215 26.7391 -46.1427 -1.53966 14.0215 -1.53976 92.4108 GPRESSAVG: 4559000 -43.2375 27.393 14.7564 24.1256 -46.4656 0.0263225 12.2661 -1.81318 93.2404 TIMING: 4559000 CPU: 13196.7, 0.00287028/step Wall: 13196.7, 0.00287028/step, 0.35161 hours remaining, 210.492188 MB of memory in use. ENERGY: 4559000 758.4143 2114.2453 1958.3896 115.1079 -206062.8650 17942.6113 0.0000 0.0000 34482.4609 -148691.6358 301.1439 -183174.0967 -148598.5888 300.1845 67.1384 100.5214 557090.2623 1.3336 1.1791 PRESSURE: 4559200 9.97562 104.403 120.211 104.403 105.448 -66.4873 120.21 -66.4871 116.301 GPRESSURE: 4559200 -21.7492 136.593 20.2832 44.3549 189.944 -98.0681 138.877 -59.629 154.309 PRESSAVG: 4559200 3.4901 23.463 -64.5212 23.463 -13.76 -1.15899 -64.5212 -1.15908 44.9094 GPRESSAVG: 4559200 4.30082 21.5301 -65.3823 27.1434 -13.9296 -1.7902 -62.2528 0.610843 44.4688 TIMING: 4559200 CPU: 13197.3, 0.00288287/step Wall: 13197.3, 0.00288287/step, 0.352992 hours remaining, 210.492188 MB of memory in use. ENERGY: 4559200 727.5565 2046.1098 1936.2263 118.8070 -206199.1746 17924.7773 0.0000 0.0000 34766.4139 -148679.2838 303.6237 -183445.6977 -148580.1879 300.8312 77.2415 107.5012 556920.2778 11.5465 11.6133 PRESSURE: 4559400 -42.4235 99.4833 78.0759 99.4825 -130.637 -108.188 78.0742 -108.188 56.2079 GPRESSURE: 4559400 -25.1355 119.375 34.4993 95.0905 -86.8657 -157.247 119.658 -33.9331 82.8187 PRESSAVG: 4559400 -13.8454 48.055 -10.5729 48.0549 -29.244 13.8635 -10.5729 13.8635 37.1239 GPRESSAVG: 4559400 -13.9004 50.8193 -10.6073 44.7987 -29.9212 13.7414 -13.3304 12.9086 38.1634 TIMING: 4559400 CPU: 13197.9, 0.00288004/step Wall: 13197.9, 0.00288004/step, 0.352485 hours remaining, 210.492188 MB of memory in use. ENERGY: 4559400 742.1093 2112.5318 1969.0082 114.9883 -205470.3820 17577.0661 0.0000 0.0000 34391.3959 -148563.2823 300.3486 -182954.6782 -148467.4515 301.1587 -38.9509 -9.7275 558487.5745 -1.9885 -1.8860 PRESSURE: 4559600 -64.8958 185.313 229.104 185.312 -3.21955 29.1541 229.104 29.1528 -137.93 GPRESSURE: 4559600 -13.473 108.54 275.839 245.062 11.6293 -6.86891 194.57 82.6364 -101.94 PRESSAVG: 4559600 48.1955 -10.7681 7.89606 -10.768 -6.38295 30.7357 7.89599 30.7359 -27.8981 GPRESSAVG: 4559600 48.1202 -13.5091 7.86165 -9.76032 -5.18138 32.6988 9.09901 30.8802 -28.8841 TIMING: 4559600 CPU: 13198.4, 0.00289857/step Wall: 13198.4, 0.00289857/step, 0.354592 hours remaining, 210.492188 MB of memory in use. ENERGY: 4559600 751.5482 2074.2473 1933.4795 107.3442 -205671.4651 17677.3991 0.0000 0.0000 34500.3736 -148627.0731 301.3003 -183127.4468 -148523.5721 301.5312 -68.6819 -34.5946 557871.4554 4.6381 4.6849 PRESSURE: 4559800 44.4576 31.0038 -35.9455 31.0057 -170.31 95.8621 -35.9432 95.8607 -107.403 GPRESSURE: 4559800 121.049 113.776 31.3483 -19.1845 -151.564 98.2535 -74.4443 60.1252 -101.773 PRESSAVG: 4559800 5.82688 50.2364 -16.5945 50.2363 -83.6083 53.69 -16.5945 53.6901 30.6516 GPRESSAVG: 4559800 5.20327 49.8122 -17.5248 51.2035 -83.6556 50.9336 -15.9772 54.1228 31.5889 TIMING: 4559800 CPU: 13199, 0.00290174/step Wall: 13199, 0.00290174/step, 0.354818 hours remaining, 210.492188 MB of memory in use. ENERGY: 4559800 735.1489 2079.6870 1966.7831 119.5847 -205357.9200 17551.8566 0.0000 0.0000 34240.7331 -148664.1266 299.0328 -182904.8596 -148568.4849 300.5173 -77.7516 -44.0960 557644.9063 -15.7099 -15.6212 PRESSURE: 4560000 358.026 59.5215 28.0252 59.5219 5.18132 60.1369 28.0259 60.1365 30.1006 GPRESSURE: 4560000 327.414 7.45542 48.994 66.9234 42.9629 118.209 60.1141 -38.7736 112.478 PRESSAVG: 4560000 68.238 58.8001 -62.5906 58.8003 -59.8224 17.8471 -62.5904 17.8471 -50.6205 GPRESSAVG: 4560000 67.9479 60.6544 -61.2824 58.8296 -60.1298 20.5944 -61.6067 17.9852 -49.7702 TIMING: 4560000 CPU: 13199.6, 0.00289486/step Wall: 13199.6, 0.00289486/step, 0.353816 hours remaining, 210.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4560000 750.2303 2080.5409 1953.7803 115.8921 -205969.2352 17936.6634 0.0000 0.0000 34440.9339 -148691.1943 300.7812 -183132.1282 -148593.4943 300.5475 131.1025 160.9516 557458.5449 -14.0683 -13.9840 PRESSURE: 4560200 -158.602 3.20147 46.173 3.20177 -2.57722 133.484 46.1733 133.483 82.5678 GPRESSURE: 4560200 -95.1552 -54.6442 53.9798 79.8508 102.201 138.882 44.4609 137.388 22.3439 PRESSAVG: 4560200 -56.943 19.8402 -6.21217 19.8402 35.1058 63.7519 -6.21226 63.752 36.215 GPRESSAVG: 4560200 -55.5208 18.3982 -6.562 19.4028 35.5903 62.4768 -6.08899 62.4912 34.5665 TIMING: 4560200 CPU: 13200.2, 0.00288006/step Wall: 13200.2, 0.00288006/step, 0.351847 hours remaining, 210.492188 MB of memory in use. ENERGY: 4560200 722.4935 2085.7609 1942.4138 111.7244 -205985.4083 17844.3148 0.0000 0.0000 34436.1696 -148842.5314 300.7396 -183278.7010 -148750.1771 300.5564 -26.2037 9.7967 557453.2461 4.7926 4.8787 LDB: ============= START OF LOAD BALANCING ============== 13203.6 LDB: ============== END OF LOAD BALANCING =============== 13203.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13203.6 LDB: ============= START OF LOAD BALANCING ============== 13203.9 LDB: Largest compute 4772 load 0.025978 is 22.0% of average load 0.118008 LDB: Average compute 0.001729 is 1.5% of average load 0.118008 LDB: TIME 13203.9 LOAD: AVG 0.118008 MAX 0.179918 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.379 MB LDB: TIME 13203.9 LOAD: AVG 0.118008 MAX 0.179918 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.379 MB LDB: TIME 13203.9 LOAD: AVG 0.118008 MAX 0.179918 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.379 MB LDB: ============== END OF LOAD BALANCING =============== 13203.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13203.9 PRESSURE: 4560400 69.3682 127.115 -41.6248 127.117 26.7911 -16.768 -41.6257 -16.7657 -265.31 GPRESSURE: 4560400 146.818 25.8313 -83.2255 168.561 11.8658 -17.2361 29.5785 49.1383 -245.794 PRESSAVG: 4560400 -25.1219 13.802 48.8772 13.8019 -5.03056 14.3691 48.8771 14.3691 -10.6089 GPRESSAVG: 4560400 -25.8137 13.7609 49.9723 15.2416 -6.30774 13.2711 47.2734 17.1061 -8.79499 TIMING: 4560400 CPU: 13200.8, 0.00294044/step Wall: 13200.8, 0.00294044/step, 0.35906 hours remaining, 211.125000 MB of memory in use. ENERGY: 4560400 749.2088 2126.7296 1969.2799 113.2706 -205633.9661 17718.0016 0.0000 0.0000 34143.3427 -148814.1329 298.1823 -182957.4755 -148723.0284 300.4406 -56.3836 -29.0367 559282.8224 -13.5871 -13.6388 PRESSURE: 4560600 -107.05 41.5693 92.8546 41.5701 286.722 91.7218 92.854 91.7221 47.8868 GPRESSURE: 4560600 -117.766 -14.8098 46.0038 55.3948 359.805 53.9706 51.3779 65.8397 78.4469 PRESSAVG: 4560600 4.68082 11.6282 7.01623 11.6282 49.9184 9.45902 7.01611 9.4591 -39.391 GPRESSAVG: 4560600 5.27995 11.6756 7.01905 10.722 49.709 8.59101 7.25551 9.0652 -40.32 TIMING: 4560600 CPU: 13201.4, 0.00291676/step Wall: 13201.4, 0.00291676/step, 0.356006 hours remaining, 211.382812 MB of memory in use. ENERGY: 4560600 739.9231 2098.2655 1942.2553 108.1412 -205722.0768 17760.1230 0.0000 0.0000 34130.6829 -148942.6857 298.0717 -183073.3686 -148842.3271 299.4383 75.8532 106.8287 559228.9015 5.0694 4.8896 PRESSURE: 4560800 59.0535 -38.2315 -22.7031 -38.2318 -98.1221 -96.1121 -22.7027 -96.1123 -105.254 GPRESSURE: 4560800 98.9753 78.5701 -27.1142 -72.7185 -69.2791 -79.882 -17.585 -47.0163 -73.0617 PRESSAVG: 4560800 -20.9629 52.7461 15.7804 52.746 13.2936 6.13146 15.7803 6.13143 38.7916 GPRESSAVG: 4560800 -20.9121 54.1282 15.8356 50.8433 13.7348 7.18503 15.985 3.6895 38.2173 TIMING: 4560800 CPU: 13201.9, 0.00289882/step Wall: 13201.9, 0.00289882/step, 0.353656 hours remaining, 211.382812 MB of memory in use. ENERGY: 4560800 766.5503 2087.3897 1955.5737 108.3217 -205494.7969 17642.2357 0.0000 0.0000 34237.6473 -148697.0785 299.0059 -182934.7257 -148613.4204 299.4881 -48.1074 -14.4552 559229.4172 10.3741 10.3467 PRESSURE: 4561000 183.26 60.71 123.235 60.7103 -56.3061 -207.245 123.235 -207.246 -102.016 GPRESSURE: 4561000 247.667 59.5833 165.978 110.224 -45.4131 -207.099 103.829 -184.104 -74.2037 PRESSAVG: 4561000 91.546 3.96223 83.1197 3.96231 10.8425 -5.88988 83.1197 -5.88993 -93.2765 GPRESSAVG: 4561000 91.897 3.26536 83.5026 5.58562 11.1573 -5.48731 82.3369 -5.10161 -93.7681 TIMING: 4561000 CPU: 13202.5, 0.00291468/step Wall: 13202.5, 0.00291468/step, 0.355429 hours remaining, 211.382812 MB of memory in use. ENERGY: 4561000 740.7102 2111.0168 1930.4757 125.7548 -205813.2704 17803.3492 0.0000 0.0000 34421.8052 -148680.1587 300.6142 -183101.9638 -148591.0099 300.3147 8.3126 42.6835 558245.3594 3.0373 3.0954 PRESSURE: 4561200 116.506 -46.1856 -40.187 -46.1862 56.5506 -5.96441 -40.1864 -5.96399 106.447 GPRESSURE: 4561200 185.026 59.8382 -104.633 -72.9652 61.6801 -105.956 16.5537 -19.9223 139.355 PRESSAVG: 4561200 48.3856 15.4524 105.632 15.4524 1.3522 -7.54755 105.632 -7.54748 -48.2572 GPRESSAVG: 4561200 47.8195 16.3957 107.794 12.8075 0.934912 -6.24435 104.014 -8.44377 -46.9959 TIMING: 4561200 CPU: 13203.1, 0.00288069/step Wall: 13203.1, 0.00288069/step, 0.351124 hours remaining, 211.382812 MB of memory in use. ENERGY: 4561200 743.4051 2147.7663 1894.8520 116.0615 -206049.9625 17957.9458 0.0000 0.0000 34415.2946 -148774.6372 300.5573 -183189.9318 -148675.0149 300.8828 93.1678 128.6872 558094.5769 0.4935 0.5862 PRESSURE: 4561400 27.9419 91.4317 160.561 91.4308 254.747 192.663 160.561 192.662 87.8883 GPRESSURE: 4561400 128.708 6.3052 137.412 86.8139 323.653 176.933 226.085 146.106 25.19 PRESSAVG: 4561400 15.79 29.3638 43.4262 29.3639 21.3625 12.6419 43.4262 12.6418 -56.2327 GPRESSAVG: 4561400 17.2292 27.3809 40.3954 31.4407 21.542 10.2208 44.0752 13.0961 -57.4439 TIMING: 4561400 CPU: 13203.7, 0.00288633/step Wall: 13203.7, 0.00288633/step, 0.351651 hours remaining, 211.382812 MB of memory in use. ENERGY: 4561400 742.7116 2078.9752 1909.4038 124.3172 -206250.8784 18046.0487 0.0000 0.0000 34476.6069 -148872.8151 301.0928 -183349.4221 -148775.6706 300.0177 123.5258 159.1838 559538.2750 -6.3601 -6.2242 PRESSURE: 4561600 212.555 -39.7221 149.171 -39.7229 -196.383 35.3632 149.171 35.3636 -62.3607 GPRESSURE: 4561600 239.502 6.20156 160.863 -91.283 -213.13 72.7164 114.341 -56.1723 8.88935 PRESSAVG: 4561600 -1.20654 13.3241 6.8136 13.3241 35.6295 14.6743 6.81353 14.6744 -39.3533 GPRESSAVG: 4561600 -1.87425 13.3559 6.79881 12.5981 35.5411 16.7882 8.48178 13.2107 -38.6469 TIMING: 4561600 CPU: 13204.2, 0.00285576/step Wall: 13204.2, 0.00285576/step, 0.347768 hours remaining, 211.382812 MB of memory in use. ENERGY: 4561600 745.6780 2072.8774 1936.2029 119.3041 -206082.4984 17917.2186 0.0000 0.0000 34610.2622 -148680.9552 302.2600 -183291.2174 -148577.8432 300.6759 -15.3959 11.7538 559992.8785 -1.6434 -1.6600 PRESSURE: 4561800 -22.6579 189.676 5.42574 189.676 284.335 125.359 5.42571 125.356 313.693 GPRESSURE: 4561800 -9.65486 220.353 -55.2518 213.425 232.009 133.483 75.6536 153.571 450.83 PRESSAVG: 4561800 -27.6346 41.5275 13.4524 41.5275 -38.6641 57.746 13.4523 57.746 71.791 GPRESSAVG: 4561800 -27.9232 44.7691 14.4951 40.5494 -37.6516 55.7708 12.2628 59.6773 71.3644 TIMING: 4561800 CPU: 13204.8, 0.00286511/step Wall: 13204.8, 0.00286511/step, 0.348747 hours remaining, 211.382812 MB of memory in use. ENERGY: 4561800 739.4994 2085.8615 1920.5259 101.9457 -205645.3572 17960.9883 0.0000 0.0000 34111.8087 -148724.7277 297.9069 -182836.5364 -148634.0124 300.3496 191.7901 224.3944 559267.4270 1.8307 1.9299 PRESSURE: 4562000 207.804 54.1979 123.712 54.1987 -98.9495 -108.616 123.711 -108.615 198.668 GPRESSURE: 4562000 260.87 -22.1113 193.385 137.505 -102.934 -135.638 5.54176 -13.2303 241.61 PRESSAVG: 4562000 34.815 -2.72677 15.9793 -2.72677 55.8711 -11.9856 15.9792 -11.9856 -60.6751 GPRESSAVG: 4562000 35.4577 -6.0322 17.7552 0.648443 55.6232 -10.8221 15.99 -12.5149 -60.2447 TIMING: 4562000 CPU: 13205.4, 0.00286464/step Wall: 13205.4, 0.00286464/step, 0.348532 hours remaining, 211.382812 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: 4562000 746.6979 2089.2887 1963.1183 119.8433 -205952.7579 17909.3017 0.0000 0.0000 34360.0742 -148764.4339 300.0751 -183124.5081 -148670.3798 300.0761 102.5075 133.1822 557713.1020 10.0037 10.2787 PRESSURE: 4562200 62.7523 -105.017 -14.2863 -105.017 -112.69 6.70415 -14.2872 6.70527 -31.299 GPRESSURE: 4562200 59.0682 -26.5281 15.8622 -133.561 -25.4504 -72.4866 28.2741 62.0361 -29.6126 PRESSAVG: 4562200 83.8323 1.6032 5.39943 1.60317 -56.3128 -1.73107 5.3995 -1.73098 21.3118 GPRESSAVG: 4562200 83.7995 3.66815 2.78279 -0.997656 -56.4757 -3.13444 7.09983 -0.484285 21.3143 TIMING: 4562200 CPU: 13206, 0.00288217/step Wall: 13206, 0.00288217/step, 0.350504 hours remaining, 211.382812 MB of memory in use. ENERGY: 4562200 732.7035 2065.8790 1911.1243 115.6432 -205544.5185 17673.5258 0.0000 0.0000 34154.5174 -148891.1253 298.2799 -183045.6427 -148799.2844 299.9819 -27.0790 1.3350 559598.4824 16.2771 16.2127 PRESSURE: 4562400 134.914 -94.1698 -22.5517 -94.1712 -44.1748 144.092 -22.552 144.093 -264.846 GPRESSURE: 4562400 195.599 -149.373 -39.9326 -86.1029 -57.3909 132.04 -76.0459 152.217 -211.691 PRESSAVG: 4562400 112.81 -10.0492 -63.2978 -10.0494 -26.9277 0.897355 -63.2979 0.8973 -27.3319 GPRESSAVG: 4562400 111.988 -11.6762 -62.3473 -8.96864 -27.1611 0.653095 -64.8527 1.52691 -25.8982 TIMING: 4562400 CPU: 13206.5, 0.00287426/step Wall: 13206.5, 0.00287426/step, 0.349382 hours remaining, 211.382812 MB of memory in use. ENERGY: 4562400 731.5795 2086.2812 1933.8154 118.5177 -205984.5108 17824.4906 0.0000 0.0000 34411.6766 -148878.1498 300.5257 -183289.8264 -148786.7334 299.5365 -58.0355 -24.4942 557579.1940 19.5167 19.6430 PRESSURE: 4562600 -176.025 42.3086 -15.6137 42.3072 -115.727 118.545 -15.6147 118.545 175.784 GPRESSURE: 4562600 -170.048 22.3822 -137.471 -23.494 -43.8857 150.858 35.3079 144.348 183.048 PRESSAVG: 4562600 -29.2794 7.05491 2.19029 7.05499 -27.2547 -31.4924 2.19023 -31.4925 65.693 GPRESSAVG: 4562600 -28.3424 7.27932 2.83041 6.71356 -27.1303 -29.949 2.89494 -34.5357 64.9511 TIMING: 4562600 CPU: 13207.1, 0.00286026/step Wall: 13207.1, 0.00286026/step, 0.347521 hours remaining, 211.382812 MB of memory in use. ENERGY: 4562600 743.5604 2061.8227 1919.9197 103.7704 -205775.1193 17542.8964 0.0000 0.0000 34472.9727 -148930.1771 301.0610 -183403.1498 -148831.9951 299.9403 -38.6559 -10.2953 557232.2110 3.0530 3.1595 PRESSURE: 4562800 -75.2256 20.8851 7.19064 20.8844 15.5619 11.0349 7.19094 11.0346 -24.7379 GPRESSURE: 4562800 -9.97722 29.1335 48.8008 -20.4065 23.9385 31.4136 39.1885 27.7855 -1.93083 PRESSAVG: 4562800 50.0897 5.80511 3.76567 5.80513 -31.5267 19.1729 3.76562 19.1729 0.607321 GPRESSAVG: 4562800 48.7238 5.15637 0.85257 5.29216 -31.3368 16.8696 5.32947 21.369 0.923972 TIMING: 4562800 CPU: 13207.7, 0.00286492/step Wall: 13207.7, 0.00286492/step, 0.347928 hours remaining, 211.382812 MB of memory in use. ENERGY: 4562800 721.5907 2094.6766 1933.5028 101.5535 -205880.9664 17556.0436 0.0000 0.0000 34356.5426 -149117.0566 300.0442 -183473.5992 -149027.4198 300.1575 -28.1338 4.0102 557917.3252 6.3901 6.1036 PRESSURE: 4563000 24.9161 75.8484 152.507 75.8489 137.625 107.635 152.507 107.636 -8.13359 GPRESSURE: 4563000 98.2774 132.163 236.844 51.5866 102.381 30.4634 67.3656 116.57 51.5543 PRESSAVG: 4563000 75.9708 5.31473 21.5698 5.31463 -110.93 19.8086 21.5698 19.8086 5.30219 GPRESSAVG: 4563000 78.5088 6.81705 24.468 5.74609 -112.05 21.1089 19.803 18.3928 4.23368 TIMING: 4563000 CPU: 13208.3, 0.00287362/step Wall: 13208.3, 0.00287362/step, 0.348825 hours remaining, 211.382812 MB of memory in use. ENERGY: 4563000 715.1373 2111.7784 1933.4115 110.1695 -205917.1351 17699.5750 0.0000 0.0000 34249.1534 -149097.9100 299.1064 -183347.0634 -148997.5800 299.6402 51.4691 84.0709 557000.7115 -9.8856 -9.7692 PRESSURE: 4563200 86.2613 -48.0283 25.4687 -48.0289 -69.0104 -215.204 25.4671 -215.203 67.2796 GPRESSURE: 4563200 141.868 -17.4325 13.4576 -118.089 -82.5621 -254.7 104.587 -115.317 124.519 PRESSAVG: 4563200 38.2675 -17.6777 24.5149 -17.6779 -57.7614 -72.2682 24.5149 -72.2682 -12.9876 GPRESSAVG: 4563200 36.1707 -17.5549 25.6795 -19.3611 -55.7302 -71.9988 21.7916 -72.0265 -13.1538 TIMING: 4563200 CPU: 13208.8, 0.00287486/step Wall: 13208.8, 0.00287486/step, 0.348817 hours remaining, 211.382812 MB of memory in use. ENERGY: 4563200 735.6070 2068.6318 1937.9951 130.5893 -206351.3233 17924.5227 0.0000 0.0000 34318.0492 -149235.9282 299.7081 -183553.9773 -149138.5401 300.1367 28.1768 61.2750 557719.6231 -10.8271 -10.9045 PRESSURE: 4563400 73.5205 -39.6218 -20.4078 -39.6204 -260.257 48.3145 -20.4076 48.3141 62.5345 GPRESSURE: 4563400 66.4048 -57.5164 -62.6001 -17.577 -200.077 80.4198 -52.011 62.0544 88.1074 PRESSAVG: 4563400 13.4882 19.75 65.0354 19.75 -43.6144 -36.2651 65.0353 -36.265 -4.53283 GPRESSAVG: 4563400 13.7794 19.2338 63.6953 21.7023 -44.1774 -37.3183 65.6123 -35.4942 -4.22236 TIMING: 4563400 CPU: 13209.4, 0.00287148/step Wall: 13209.4, 0.00287148/step, 0.348246 hours remaining, 211.382812 MB of memory in use. ENERGY: 4563400 707.7951 2033.9296 1962.1068 112.7201 -205849.4074 17703.0292 0.0000 0.0000 34357.6773 -148972.1493 300.0541 -183329.8267 -148874.9710 299.3649 -41.4005 -15.1884 558745.1917 -11.5530 -11.5401 PRESSURE: 4563600 436.401 13.3908 -21.7407 13.3904 121.409 -75.8204 -21.7418 -75.8194 108.396 GPRESSURE: 4563600 519.164 34.7237 32.0384 -6.49875 128.114 -187.673 -115.316 -37.4376 100.094 PRESSAVG: 4563600 67.1689 -36.1233 17.2257 -36.1233 -42.3981 -51.0391 17.2256 -51.0391 -12.3196 GPRESSAVG: 4563600 67.3102 -36.5133 15.5963 -35.3208 -42.8536 -51.3014 19.3794 -52.7045 -11.6207 TIMING: 4563600 CPU: 13210, 0.00287191/step Wall: 13210, 0.00287191/step, 0.34814 hours remaining, 211.382812 MB of memory in use. ENERGY: 4563600 760.7916 2086.2848 1936.9055 117.5184 -206603.3516 18301.9838 0.0000 0.0000 34392.6223 -149007.2453 300.3593 -183399.8676 -148905.8228 299.8335 222.0686 249.1243 558648.2494 4.1504 4.2786 PRESSURE: 4563800 -362.083 -93.4538 -70.4734 -93.4542 -64.13 26.6701 -70.4734 26.6695 -205.742 GPRESSURE: 4563800 -364.755 -124.855 19.7838 -46.8613 2.73776 109.768 -91.6646 19.4522 -179.522 PRESSAVG: 4563800 92.2029 -20.5127 -25.3177 -20.5128 -77.5099 -22.94 -25.3177 -22.9401 -39.4698 GPRESSAVG: 4563800 92.7851 -20.2929 -24.8127 -21.8023 -76.6618 -21.0871 -24.1821 -22.6574 -41.2962 TIMING: 4563800 CPU: 13210.6, 0.00288611/step Wall: 13210.6, 0.00288611/step, 0.3497 hours remaining, 211.382812 MB of memory in use. ENERGY: 4563800 752.5646 2080.4626 1981.7770 110.2305 -205986.1334 17625.0452 0.0000 0.0000 34550.2456 -148885.8079 301.7359 -183436.0535 -148794.9075 300.4638 -210.6519 -180.5130 559249.1993 -8.2590 -8.3910 PRESSURE: 4564000 -62.6147 -75.648 53.4791 -75.646 94.9855 52.4218 53.4794 52.4206 32.0493 GPRESSURE: 4564000 -95.2109 -39.0821 72.9135 -70.8816 135.22 -24.7383 -75.9935 121.633 131.59 PRESSAVG: 4564000 3.92069 -7.29308 34.7501 -7.29301 27.316 27.0701 34.7501 27.0701 -38.0204 GPRESSAVG: 4564000 3.07853 -8.02069 34.1436 -5.94931 26.9089 25.1943 34.4341 26.9978 -36.6167 TIMING: 4564000 CPU: 13211.1, 0.00286932/step Wall: 13211.1, 0.00286932/step, 0.347506 hours remaining, 211.382812 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: 4564000 731.6941 2119.0616 1916.7899 118.8113 -205900.3273 17929.2586 0.0000 0.0000 34125.0239 -148959.6879 298.0223 -183084.7119 -148865.8198 299.8288 21.4734 57.1999 559122.3564 -2.2612 -2.2098 PRESSURE: 4564200 -96.6128 36.6466 94.7665 36.6467 -8.2502 201.89 94.7676 201.891 -314.251 GPRESSURE: 4564200 -57.4807 -51.5262 103.398 15.5591 44.1185 252.896 118.61 227.385 -296.493 PRESSAVG: 4564200 12.8258 -43.632 -5.55183 -43.632 13.8282 85.1145 -5.55189 85.1145 -47.1863 GPRESSAVG: 4564200 13.1676 -41.3984 -5.40926 -44.3522 14.5262 85.4182 -5.40325 85.4038 -47.7884 TIMING: 4564200 CPU: 13211.7, 0.00286287/step Wall: 13211.7, 0.00286287/step, 0.346567 hours remaining, 211.382812 MB of memory in use. ENERGY: 4564200 761.1264 2058.7238 1929.4019 108.0221 -205956.8451 17713.0942 0.0000 0.0000 34608.2878 -148778.1889 302.2428 -183386.4767 -148683.7154 300.5773 -139.7045 -103.2852 558075.8612 -6.8441 -6.6982 LDB: ============= START OF LOAD BALANCING ============== 13215.1 LDB: ============== END OF LOAD BALANCING =============== 13215.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13215.1 LDB: ============= START OF LOAD BALANCING ============== 13215.4 LDB: Largest compute 4772 load 0.027570 is 23.4% of average load 0.118019 LDB: Average compute 0.001733 is 1.5% of average load 0.118019 LDB: TIME 13215.4 LOAD: AVG 0.118019 MAX 0.177996 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.855 MB LDB: TIME 13215.4 LOAD: AVG 0.118019 MAX 0.177996 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.855 MB LDB: TIME 13215.4 LOAD: AVG 0.118019 MAX 0.177996 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13215.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13215.4 PRESSURE: 4564400 81.4199 -120.659 -36.0408 -120.659 154.005 40.1492 -36.0399 40.1474 29.2853 GPRESSURE: 4564400 123.995 -113.509 -59.2412 -68.2344 185.598 47.5652 16.8826 32.9464 66.77 PRESSAVG: 4564400 43.904 -48.3501 -52.1971 -48.35 -24.2027 32.6107 -52.1971 32.6106 12.4332 GPRESSAVG: 4564400 44.2832 -46.658 -48.0537 -50.2268 -25.2131 35.5309 -56.3016 31.5375 13.0713 TIMING: 4564400 CPU: 13212.3, 0.00294622/step Wall: 13212.3, 0.00294622/step, 0.356493 hours remaining, 210.355469 MB of memory in use. ENERGY: 4564400 761.8866 2116.8455 1944.9138 120.0574 -206552.8127 18112.0325 0.0000 0.0000 34531.3173 -148965.7595 301.5706 -183497.0768 -148871.2592 300.9151 88.2368 125.4543 557858.5909 10.7115 10.7138 PRESSURE: 4564600 102.839 11.1693 -137.845 11.1707 344.621 69.5259 -137.846 69.5272 -177.152 GPRESSURE: 4564600 186.915 67.2073 -162.569 -106.7 329.666 87.4043 -4.9253 77.1875 -148.135 PRESSAVG: 4564600 22.2173 -8.32508 27.1023 -8.32511 38.4642 26.7597 27.1025 26.7598 -36.3715 GPRESSAVG: 4564600 22.2499 -9.43782 24.7161 -6.9872 37.9453 25.3152 28.9673 28.5224 -36.0516 TIMING: 4564600 CPU: 13212.9, 0.00286504/step Wall: 13212.9, 0.00286504/step, 0.346511 hours remaining, 210.355469 MB of memory in use. ENERGY: 4564600 737.3487 2123.3912 1934.6004 119.0295 -206230.6724 17945.2757 0.0000 0.0000 34377.5453 -148993.4817 300.2277 -183371.0270 -148894.4865 300.6693 90.1025 122.8151 558544.2152 8.1033 8.0479 PRESSURE: 4564800 92.6818 73.798 82.3453 73.7966 62.3209 -53.422 82.3468 -53.4198 102.546 GPRESSURE: 4564800 116.135 -24.5475 48.2512 96.7436 107.134 -59.7213 101.272 18.0851 127.789 PRESSAVG: 4564800 19.603 -5.41316 37.712 -5.41319 17.6134 -3.21292 37.7118 -3.21275 -51.2654 GPRESSAVG: 4564800 18.6928 -6.42847 37.0177 -5.36394 17.8945 -3.38601 38.0863 -3.11918 -50.7363 TIMING: 4564800 CPU: 13213.4, 0.002868/step Wall: 13213.4, 0.002868/step, 0.346709 hours remaining, 210.355469 MB of memory in use. ENERGY: 4564800 727.4636 2086.9365 1924.3845 106.2444 -206138.3472 17923.9825 0.0000 0.0000 34561.1004 -148808.2353 301.8307 -183369.3357 -148707.7673 300.8602 85.8494 117.0192 558113.9604 -4.6830 -4.7163 PRESSURE: 4565000 65.415 38.8921 -83.3682 38.8909 133.775 42.8573 -83.3685 42.8573 187.194 GPRESSURE: 4565000 131.823 -23.7605 -108.868 -23.7498 168.01 30.3955 -105.884 15.1212 189.031 PRESSAVG: 4565000 -49.3698 19.4723 34.1834 19.4724 48.3041 -43.2012 34.1833 -43.2011 -17.0505 GPRESSAVG: 4565000 -48.4216 20.6109 34.3682 19.0547 47.5503 -43.9499 35.2328 -45.6942 -17.2328 TIMING: 4565000 CPU: 13214, 0.00285626/step Wall: 13214, 0.00285626/step, 0.345131 hours remaining, 210.355469 MB of memory in use. ENERGY: 4565000 717.2171 2161.0035 1921.0562 106.2072 -206292.1003 18010.9367 0.0000 0.0000 34429.7220 -148945.9575 300.6833 -183375.6796 -148850.3569 300.2504 128.7948 162.9549 557917.2264 -6.0387 -6.0347 PRESSURE: 4565200 167.546 -3.90161 55.0839 -3.90021 175.996 72.2079 55.0838 72.2082 99.7742 GPRESSURE: 4565200 193.056 79.8245 26.5163 -104.241 285.71 44.7594 138.574 134.294 65.3669 PRESSAVG: 4565200 -70.9447 20.7148 5.58354 20.7147 47.2451 -34.8058 5.58351 -34.8059 24.0822 GPRESSAVG: 4565200 -70.2735 21.0986 5.66063 20.2338 48.0206 -36.1705 5.82423 -32.2665 22.9519 TIMING: 4565200 CPU: 13214.6, 0.00287425/step Wall: 13214.6, 0.00287425/step, 0.347146 hours remaining, 210.355469 MB of memory in use. ENERGY: 4565200 749.9908 2076.3647 1921.2160 115.4104 -206143.2810 17987.5885 0.0000 0.0000 34419.1116 -148873.5990 300.5907 -183292.7106 -148776.2354 300.0487 147.7719 181.3779 556956.7865 0.1275 0.2330 PRESSURE: 4565400 -128.464 14.534 -90.2626 14.5323 105.502 -13.6912 -90.2639 -13.6925 -60.9941 GPRESSURE: 4565400 -76.5515 -10.4785 -42.1314 80.7768 175.806 -14.3626 -106.646 37.9784 -80.2565 PRESSAVG: 4565400 -36.3194 -5.54996 14.0914 -5.54995 22.326 28.4013 14.0914 28.4013 15.4585 GPRESSAVG: 4565400 -36.16 -7.57636 13.3683 -4.56922 22.0912 28.2402 14.1647 29.0984 15.6572 TIMING: 4565400 CPU: 13215.2, 0.00288253/step Wall: 13215.2, 0.00288253/step, 0.347985 hours remaining, 210.355469 MB of memory in use. ENERGY: 4565400 748.1749 2124.9057 1945.0713 117.9707 -205821.9654 17730.0595 0.0000 0.0000 34360.2935 -148795.4898 300.0770 -183155.7833 -148696.0586 300.4112 -27.9853 6.3327 557901.8544 0.4884 0.5295 PRESSURE: 4565600 62.8282 71.1566 -11.4116 71.1583 -87.676 185.935 -11.4113 185.933 -107.313 GPRESSURE: 4565600 116.688 -63.8229 12.604 12.9957 -54.3629 237.685 -48.0624 152.772 -94.8823 PRESSAVG: 4565600 -38.2078 37.1437 -45.0124 37.1437 -8.84144 -6.55845 -45.0124 -6.55839 67.8689 GPRESSAVG: 4565600 -38.3281 38.5206 -44.2767 36.7723 -8.36231 -4.23692 -45.716 -8.48134 68.0864 TIMING: 4565600 CPU: 13215.7, 0.00286361/step Wall: 13215.7, 0.00286361/step, 0.345542 hours remaining, 210.355469 MB of memory in use. ENERGY: 4565600 722.4866 2124.5952 1950.3497 110.6220 -205780.8526 17578.1968 0.0000 0.0000 34378.0957 -148916.5067 300.2325 -183294.6025 -148813.6224 300.4026 -44.0536 -10.8525 558314.0163 6.9399 7.1320 PRESSURE: 4565800 66.5526 213.277 115.058 213.277 216.624 104.36 115.058 104.357 4.63826 GPRESSURE: 4565800 93.1914 192.034 42.3123 161.977 256.648 55.036 151.377 118.117 34.7059 PRESSAVG: 4565800 -19.6942 -30.4775 0.65256 -30.4777 75.3873 41.181 0.65254 41.181 -96.1646 GPRESSAVG: 4565800 -19.3669 -30.9586 -1.94132 -30.2881 74.1148 38.6077 2.72577 42.1512 -95.7179 TIMING: 4565800 CPU: 13216.3, 0.00287019/step Wall: 13216.3, 0.00287019/step, 0.346177 hours remaining, 210.355469 MB of memory in use. ENERGY: 4565800 737.4855 2111.9527 1940.5021 113.9234 -206019.4084 17910.4022 0.0000 0.0000 34281.2569 -148923.8856 299.3867 -183205.1424 -148818.9286 300.1744 95.9383 128.1817 557335.9731 -13.4905 -13.6567 PRESSURE: 4566000 52.7165 18.7547 -30.6954 18.755 108.546 -127.244 -30.6968 -127.244 -95.3209 GPRESSURE: 4566000 122.091 3.27946 -21.133 53.2874 121.442 -116.81 71.2935 -156.148 -71.8257 PRESSAVG: 4566000 -45.8735 15.8172 6.29751 15.8171 114.22 -2.66023 6.2975 -2.66035 -112.024 GPRESSAVG: 4566000 -46.0768 18.6587 9.0011 14.6893 115.207 0.729891 5.5317 -4.99046 -111.87 TIMING: 4566000 CPU: 13216.9, 0.0028843/step Wall: 13216.9, 0.0028843/step, 0.347719 hours remaining, 210.355469 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: 4566000 696.9278 2135.1819 1942.4995 111.7237 -205647.9993 17618.0443 0.0000 0.0000 34262.3187 -148881.3034 299.2214 -183143.6221 -148787.5579 300.3349 21.9806 57.2359 556143.4970 -14.5590 -14.2467 PRESSURE: 4566200 61.2332 79.1796 97.1346 79.1813 -242.627 134.738 97.1343 134.738 -25.0851 GPRESSURE: 4566200 82.7854 48.6111 34.164 73.3814 -215.441 89.4612 129.147 195.725 34.8062 PRESSAVG: 4566200 -12.0231 8.12455 -1.27323 8.12467 22.0361 -0.284505 -1.27326 -0.284586 -52.8024 GPRESSAVG: 4566200 -12.3837 5.83701 -1.72467 8.11251 22.1703 -1.93501 -2.63328 0.615321 -52.9744 TIMING: 4566200 CPU: 13217.5, 0.00286576/step Wall: 13217.5, 0.00286576/step, 0.345324 hours remaining, 210.355469 MB of memory in use. ENERGY: 4566200 738.6395 2081.5510 1936.6921 102.9280 -205810.6825 17572.2186 0.0000 0.0000 34494.7092 -148883.9442 301.2509 -183378.6534 -148792.0110 300.2423 -68.8261 -32.6166 556939.9032 -14.2631 -14.3959 PRESSURE: 4566400 79.3318 16.7591 -143.779 16.7591 45.082 -0.557904 -143.779 -0.559676 154.062 GPRESSURE: 4566400 68.4194 31.8701 -111.221 57.2845 117.884 -18.2474 -134.377 10.3387 201.637 PRESSAVG: 4566400 32.7049 -13.7252 9.72144 -13.7252 21.349 18.976 9.7214 18.9759 -18.6446 GPRESSAVG: 4566400 33.2468 -13.5702 10.9753 -12.6222 21.4726 19.1958 10.4188 19.7026 -19.2554 TIMING: 4566400 CPU: 13218, 0.00288203/step Wall: 13218, 0.00288203/step, 0.347125 hours remaining, 210.355469 MB of memory in use. ENERGY: 4566400 720.7991 2134.1282 1960.4499 104.8899 -205721.2486 17602.9077 0.0000 0.0000 34193.2278 -149004.8460 298.6180 -183198.0738 -148912.8281 300.5274 92.8253 129.3134 556040.0033 11.8031 11.8213 PRESSURE: 4566600 51.4766 39.4737 181.86 39.4737 92.6857 -148.986 181.86 -148.986 49.9921 GPRESSURE: 4566600 53.1227 20.5992 264.138 49.0455 150.494 -189.597 146.846 -230.314 89.6118 PRESSAVG: 4566600 46.951 -12.9646 8.92329 -12.9646 1.65944 -10.8371 8.9233 -10.8372 -2.58073 GPRESSAVG: 4566600 46.1123 -14.0826 9.58083 -12.1766 2.20622 -10.0705 9.6584 -10.8502 -2.34614 TIMING: 4566600 CPU: 13218.6, 0.00288019/step Wall: 13218.6, 0.00288019/step, 0.346742 hours remaining, 210.355469 MB of memory in use. ENERGY: 4566600 755.7891 2077.3858 1905.5372 107.3872 -205932.1887 17786.8171 0.0000 0.0000 34386.9830 -148912.2893 300.3101 -183299.2724 -148814.2494 300.1216 64.7181 97.7429 557978.6247 15.3432 15.3241 PRESSURE: 4566800 -42.2797 35.4281 21.37 35.4261 28.9635 -58.1753 21.3705 -58.1751 -54.991 GPRESSURE: 4566800 -28.2053 11.8965 89.2912 76.418 94.9092 -60.8333 -72.7983 -5.43714 -40.2061 PRESSAVG: 4566800 87.5792 68.7692 24.0222 68.7693 -35.7826 -55.0564 24.0223 -55.0564 -13.0398 GPRESSAVG: 4566800 88.4632 70.3932 22.7707 69.4638 -35.9097 -54.8478 23.4346 -55.9215 -13.6173 TIMING: 4566800 CPU: 13219.2, 0.00289647/step Wall: 13219.2, 0.00289647/step, 0.348542 hours remaining, 210.355469 MB of memory in use. ENERGY: 4566800 731.3735 2101.2059 1953.3978 124.1466 -205954.4375 17635.4196 0.0000 0.0000 34483.7459 -148925.1482 301.1551 -183408.8940 -148832.8879 300.6747 -22.7690 8.8326 556213.8051 12.9189 12.9787 PRESSURE: 4567000 -317.74 87.6846 -85.804 87.6853 -391.928 -109.297 -85.8054 -109.298 -379.962 GPRESSURE: 4567000 -350.827 173.494 -89.3001 95.1249 -307.071 -159.755 18.0608 -127.425 -346.755 PRESSAVG: 4567000 -38.1122 14.889 -17.4727 14.889 57.7784 9.79407 -17.4728 9.79406 -13.3754 GPRESSAVG: 4567000 -36.917 12.8209 -17.8833 16.0445 56.4897 9.12554 -17.019 11.4225 -13.1849 TIMING: 4567000 CPU: 13219.8, 0.00287148/step Wall: 13219.8, 0.00287148/step, 0.345375 hours remaining, 210.355469 MB of memory in use. ENERGY: 4567000 768.7314 2109.2048 1934.3199 108.6728 -205153.3125 17226.3651 0.0000 0.0000 34097.9685 -148908.0501 297.7860 -183006.0186 -148812.5296 299.9742 -363.2100 -334.8845 559410.9505 2.0969 2.1293 PRESSURE: 4567200 124.622 -35.9548 95.1409 -35.9535 146.535 136.003 95.1415 136.003 315.223 GPRESSURE: 4567200 150.43 12.6457 81.1935 -21.8336 157.312 139.246 125.696 135.662 393.042 PRESSAVG: 4567200 28.4329 65.6139 -26.5701 65.614 -16.8583 -36.1312 -26.5701 -36.1314 2.42358 GPRESSAVG: 4567200 28.0212 66.6292 -26.6779 65.2184 -15.8109 -36.9915 -26.2823 -35.5296 1.68788 TIMING: 4567200 CPU: 13220.3, 0.00287573/step Wall: 13220.3, 0.00287573/step, 0.345727 hours remaining, 210.355469 MB of memory in use. ENERGY: 4567200 736.7021 2046.3045 1952.4810 123.0395 -206098.7836 17926.2906 0.0000 0.0000 34339.6073 -148974.3587 299.8963 -183313.9659 -148879.0980 299.0459 195.4603 233.5947 556854.6632 4.6661 4.6327 PRESSURE: 4567400 -207.933 -7.17112 142.841 -7.17093 -84.1144 44.2849 142.841 44.2849 -308.647 GPRESSURE: 4567400 -146.071 30.7916 136.365 -5.42196 -34.4228 -30.9756 93.0164 114.714 -327.662 PRESSAVG: 4567400 -4.38291 30.1405 10.7221 30.1406 5.31128 -15.8855 10.7221 -15.8855 -2.58027 GPRESSAVG: 4567400 -6.34364 28.8358 11.9578 28.6111 6.10104 -16.1916 9.15063 -16.7801 -1.16969 TIMING: 4567400 CPU: 13220.9, 0.00286014/step Wall: 13220.9, 0.00286014/step, 0.343694 hours remaining, 210.355469 MB of memory in use. ENERGY: 4567400 748.5769 2096.8042 1938.3857 105.0184 -205929.8523 17549.1474 0.0000 0.0000 34501.8618 -148990.0579 301.3133 -183491.9196 -148889.1653 299.7765 -200.2315 -169.3854 557490.9297 -0.5506 -0.4708 PRESSURE: 4567600 -114.252 3.4471 -72.7864 3.44594 -40.0249 -220.99 -72.7868 -220.99 -0.732236 GPRESSURE: 4567600 -69.0269 20.8257 -117.273 69.0409 -67.8915 -280.348 -33.9262 -152.374 81.0233 PRESSAVG: 4567600 8.97157 -53.4828 -7.66495 -53.4828 76.179 -67.3308 -7.66508 -67.3308 -5.23686 GPRESSAVG: 4567600 11.0585 -50.5025 -8.45698 -53.086 75.0712 -68.5192 -6.28067 -66.084 -6.53036 TIMING: 4567600 CPU: 13221.5, 0.00288086/step Wall: 13221.5, 0.00288086/step, 0.346023 hours remaining, 210.355469 MB of memory in use. ENERGY: 4567600 785.2926 2112.5850 1951.0974 111.5265 -205900.8682 17705.5107 0.0000 0.0000 34226.7714 -149008.0846 298.9109 -183234.8560 -148914.4867 300.0203 -51.6696 -18.6317 557178.4825 26.6379 26.5331 PRESSURE: 4567800 229.483 -15.3774 -1.95716 -15.3793 347.467 -21.9446 -1.95822 -21.9448 -66.9868 GPRESSURE: 4567800 265.282 8.71659 40.27 -9.08359 351.51 -70.7646 -71.4495 13.1508 -3.86436 PRESSAVG: 4567800 19.9781 -18.2961 -21.411 -18.296 -28.9618 -7.48351 -21.4109 -7.48351 25.8005 GPRESSAVG: 4567800 19.1404 -18.5474 -19.1021 -17.5505 -29.447 -7.1301 -22.509 -6.49232 26.9746 TIMING: 4567800 CPU: 13222.1, 0.00287821/step Wall: 13222.1, 0.00287821/step, 0.345545 hours remaining, 210.355469 MB of memory in use. ENERGY: 4567800 694.7700 2090.7523 1956.6333 125.5117 -206227.7274 18003.0838 0.0000 0.0000 34360.7708 -148996.2057 300.0812 -183356.9765 -148900.9447 299.6425 169.9877 204.3093 557495.8396 5.6056 5.5560 PRESSURE: 4568000 -38.8168 -199.459 42.8931 -199.46 48.3549 10.5322 42.8923 10.5309 205.645 GPRESSURE: 4568000 -52.8241 -155.529 -8.79509 -155.034 116.549 32.4389 -69.0848 7.04502 246.815 PRESSAVG: 4568000 -28.6847 -39.6171 7.44918 -39.6171 37.4557 -75.1079 7.44915 -75.1079 22.6396 GPRESSAVG: 4568000 -28.9109 -40.7104 4.88567 -39.6839 38.1398 -73.8481 7.20911 -77.9462 22.0003 TIMING: 4568000 CPU: 13222.6, 0.00287661/step Wall: 13222.6, 0.00287661/step, 0.345193 hours remaining, 210.355469 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: 4568000 767.2768 2124.4631 1942.0940 113.6220 -206187.1728 17821.5226 0.0000 0.0000 34413.2492 -149004.9450 300.5395 -183418.1943 -148904.9973 300.0162 71.7277 103.5135 556678.3666 10.4702 10.4097 PRESSURE: 4568200 -97.3356 -141.956 115.695 -141.956 157.927 -40.1671 115.695 -40.1676 -170.99 GPRESSURE: 4568200 -40.9776 -92.0078 128.324 -188.922 186.461 -36.5058 88.6249 -89.5169 -164.984 PRESSAVG: 4568200 66.6664 -44.3607 32.3882 -44.3607 -14.0734 -44.6291 32.3882 -44.6291 -17.2299 GPRESSAVG: 4568200 67.6688 -43.7485 31.4961 -45.198 -14.0417 -45.0035 32.782 -43.9499 -18.0443 TIMING: 4568200 CPU: 13223.2, 0.0028453/step Wall: 13223.2, 0.0028453/step, 0.341278 hours remaining, 210.355469 MB of memory in use. ENERGY: 4568200 727.3081 2129.1101 1930.4838 116.9947 -205966.6823 17662.6918 0.0000 0.0000 34298.9908 -149101.1030 299.5416 -183400.0938 -148999.4076 300.1966 -36.7995 -6.4999 555976.4091 11.7877 11.8609 LDB: ============= START OF LOAD BALANCING ============== 13226.6 LDB: ============== END OF LOAD BALANCING =============== 13226.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13226.6 LDB: ============= START OF LOAD BALANCING ============== 13226.9 LDB: Largest compute 4772 load 0.026423 is 22.4% of average load 0.118075 LDB: Average compute 0.001737 is 1.5% of average load 0.118075 LDB: TIME 13226.9 LOAD: AVG 0.118075 MAX 0.178191 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.613 MB LDB: TIME 13226.9 LOAD: AVG 0.118075 MAX 0.178191 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.613 MB LDB: TIME 13226.9 LOAD: AVG 0.118075 MAX 0.178191 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13226.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13226.9 PRESSURE: 4568400 122.279 -205.103 -66.6654 -205.103 182.08 -32.8387 -66.6648 -32.8403 -78.8089 GPRESSURE: 4568400 149.05 -198.593 -63.4966 -176.031 204.63 29.9273 -56.8984 -105.288 -44.0597 PRESSAVG: 4568400 25.8627 -88.2211 30.9952 -88.2211 50.4948 -33.5287 30.995 -33.5286 -102.876 GPRESSAVG: 4568400 24.0629 -87.8627 34.1092 -90.4176 51.7318 -33.5005 31.1235 -33.4553 -102.756 TIMING: 4568400 CPU: 13223.8, 0.00293683/step Wall: 13223.8, 0.00293683/step, 0.352093 hours remaining, 211.187500 MB of memory in use. ENERGY: 4568400 800.2533 2133.3859 1940.0626 121.2038 -206283.0172 17874.9614 0.0000 0.0000 34465.5694 -148947.5807 300.9964 -183413.1501 -148861.6102 299.6463 75.1832 103.2068 555712.2740 -8.8394 -8.9871 PRESSURE: 4568600 193.087 -10.8526 -42.2334 -10.8529 -175.644 65.6681 -42.2328 65.6706 -103.763 GPRESSURE: 4568600 210.701 -27.1611 -18.9448 -53.3989 -186.078 100.748 -51.7286 -13.2653 -6.64922 PRESSAVG: 4568600 57.834 19.2297 -7.59337 19.2297 -16.6491 36.6876 -7.5934 36.6877 -69.3286 GPRESSAVG: 4568600 57.5624 20.7508 -9.10972 20.1019 -17.2159 37.1995 -7.40331 37.564 -68.5651 TIMING: 4568600 CPU: 13224.4, 0.00285577/step Wall: 13224.4, 0.00285577/step, 0.342216 hours remaining, 211.390625 MB of memory in use. ENERGY: 4568600 806.1112 2093.3966 1940.9336 114.8305 -206139.9542 17812.6905 0.0000 0.0000 34398.2104 -148973.7814 300.4081 -183371.9918 -148881.1517 299.7011 -28.7735 5.9913 557205.0433 -9.3812 -9.4062 PRESSURE: 4568800 -277.597 81.1488 -68.3104 81.148 -6.1396 69.5192 -68.3094 69.5183 32.4754 GPRESSURE: 4568800 -219.072 9.16458 -26.1675 24.6523 76.9724 142.846 -90.2767 69.2989 -4.53751 PRESSAVG: 4568800 18.1003 -2.12366 1.51884 -2.12373 11.2976 28.6734 1.51903 28.6734 -21.1059 GPRESSAVG: 4568800 17.871 -3.73145 3.80895 -2.62789 12.179 28.5286 -0.501886 28.6199 -22.2164 TIMING: 4568800 CPU: 13225, 0.00290227/step Wall: 13225, 0.00290227/step, 0.347628 hours remaining, 211.390625 MB of memory in use. ENERGY: 4568800 730.9027 2101.5025 1947.1408 115.3363 -205810.5529 17642.0337 0.0000 0.0000 34187.3822 -149086.2547 298.5669 -183273.6369 -148987.3205 299.6733 -83.7536 -48.8790 558665.7721 2.7640 2.6112 PRESSURE: 4569000 -143.146 88.8521 -109.407 88.8508 -37.0925 74.7007 -109.407 74.7003 -13.0807 GPRESSURE: 4569000 -48.3268 59.5472 -125.33 81.1226 -2.20825 37.6924 -54.0208 93.3342 -31.8863 PRESSAVG: 4569000 31.2772 9.8921 7.73258 9.89197 -16.8797 23.0522 7.73268 23.0521 -18.0781 GPRESSAVG: 4569000 30.6898 10.1561 5.81837 10.8425 -17.5312 22.3703 10.1668 23.0576 -16.0766 TIMING: 4569000 CPU: 13225.5, 0.00288578/step Wall: 13225.5, 0.00288578/step, 0.345492 hours remaining, 211.390625 MB of memory in use. ENERGY: 4569000 743.5585 2137.9210 1954.0093 107.6297 -206162.0307 17788.0643 0.0000 0.0000 34164.5997 -149266.2483 298.3679 -183430.8480 -149169.9392 299.4180 -64.4396 -27.4738 558612.8490 -1.2269 -0.9727 PRESSURE: 4569200 -206.857 129.068 79.2036 129.068 -38.2887 -45.6535 79.2036 -45.6526 -183.905 GPRESSURE: 4569200 -149.928 148.401 88.0928 232.859 -57.5065 29.3343 70.9999 -15.4032 -119.196 PRESSAVG: 4569200 70.1753 14.5084 -4.41803 14.5083 -29.1721 18.8151 -4.41796 18.8152 -48.9177 GPRESSAVG: 4569200 70.8967 14.8116 -5.21597 15.5735 -28.4045 18.6302 -5.19722 18.7391 -50.518 TIMING: 4569200 CPU: 13226.1, 0.00288246/step Wall: 13226.1, 0.00288246/step, 0.344934 hours remaining, 211.390625 MB of memory in use. ENERGY: 4569200 717.3126 2179.9978 1941.7853 115.1325 -206012.6024 17590.6908 0.0000 0.0000 34259.9000 -149207.7835 299.2002 -183467.6835 -149115.1490 298.9457 -143.0169 -108.8768 557922.7142 -2.6382 -2.6753 PRESSURE: 4569400 -127.339 -115.962 -0.0252813 -115.96 -73.8591 207.728 -0.0251686 207.725 147.358 GPRESSURE: 4569400 -20.5566 -33.3238 -122.904 -132.221 -73.6973 79.8144 -13.9792 226.893 134.825 PRESSAVG: 4569400 -59.227 -28.7296 -39.9268 -28.7295 46.0578 7.23076 -39.9267 7.23086 37.1843 GPRESSAVG: 4569400 -58.2697 -29.2092 -40.5635 -27.8957 45.5645 7.54491 -38.9024 6.77239 37.6231 TIMING: 4569400 CPU: 13226.7, 0.00288368/step Wall: 13226.7, 0.00288368/step, 0.34492 hours remaining, 211.390625 MB of memory in use. ENERGY: 4569400 786.4083 2123.5644 1971.7490 118.7402 -206314.3122 17846.0647 0.0000 0.0000 34186.4319 -149281.3536 298.5586 -183467.7856 -149184.9062 299.1923 -17.9468 13.5238 557924.6459 8.0050 8.3060 PRESSURE: 4569600 301.034 110.271 9.09849 110.272 177.763 -110.35 9.09988 -110.351 -107.913 GPRESSURE: 4569600 302.503 191.181 9.1102 89.2481 213.009 -136.801 26.4478 -131.966 -65.1133 PRESSAVG: 4569600 26.2016 34.1495 21.1082 34.1495 -46.0733 -35.4361 21.1082 -35.4362 -5.5509 GPRESSAVG: 4569600 25.8584 33.4093 21.6089 32.122 -45.7071 -35.4198 19.2601 -36.8468 -5.67519 TIMING: 4569600 CPU: 13227.3, 0.0028702/step Wall: 13227.3, 0.0028702/step, 0.343148 hours remaining, 211.390625 MB of memory in use. ENERGY: 4569600 749.0113 2029.5875 1969.8843 117.4192 -206488.7156 17999.8657 0.0000 0.0000 34410.7711 -149212.1764 300.5178 -183622.9475 -149117.5665 298.9863 123.6279 150.1326 557662.9176 -8.4742 -8.5080 PRESSURE: 4569800 -151.932 -235.36 133.838 -235.361 -253.73 -45.1248 133.839 -45.1246 -127.521 GPRESSURE: 4569800 -97.3923 -227.154 150.086 -195.264 -250.98 -38.6621 44.2106 30.3387 -75.4852 PRESSAVG: 4569800 5.7892 -46.9409 -17.5121 -46.9409 -11.9331 -66.4092 -17.5121 -66.4091 26.9946 GPRESSAVG: 4569800 5.88454 -46.3664 -17.4238 -46.2814 -12.9291 -65.0627 -15.9491 -64.3527 27.9501 TIMING: 4569800 CPU: 13227.8, 0.00288437/step Wall: 13227.8, 0.00288437/step, 0.344682 hours remaining, 211.390625 MB of memory in use. ENERGY: 4569800 762.2589 2132.8052 1966.3422 124.8833 -205917.3249 17595.3924 0.0000 0.0000 34130.9261 -149204.7169 298.0739 -183335.6429 -149099.3715 298.9934 -177.7279 -141.2859 557979.2791 6.9502 6.9685 PRESSURE: 4570000 161.667 162.246 124.304 162.246 219.965 -108.471 124.304 -108.471 45.2516 GPRESSURE: 4570000 187.253 213.993 147.224 78.6007 260.774 -62.8712 51.9773 -130.385 82.9685 PRESSAVG: 4570000 -18.7062 -10.7761 14.2166 -10.7762 -10.145 -27.5066 14.2164 -27.5066 23.7675 GPRESSAVG: 4570000 -17.5279 -10.6727 16.2371 -12.9223 -10.1182 -29.5903 13.3102 -26.7897 22.3711 TIMING: 4570000 CPU: 13228.4, 0.00288362/step Wall: 13228.4, 0.00288362/step, 0.344433 hours remaining, 211.390625 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: 4570000 718.1229 2189.1292 1956.5183 102.4725 -206380.7179 17963.9354 0.0000 0.0000 34284.8585 -149165.6812 299.4182 -183450.5397 -149070.3969 299.8026 142.2945 176.9985 557435.0070 -1.6946 -1.7584 PRESSURE: 4570200 -84.3539 56.3697 -10.1865 56.3702 -22.7875 -156.385 -10.1864 -156.386 95.7828 GPRESSURE: 4570200 -47.139 59.5936 -48.4569 -7.44981 -7.15725 -153.709 41.3658 -189.315 153.266 PRESSAVG: 4570200 1.55739 76.0963 9.23069 76.0962 53.1617 8.1546 9.2307 8.15461 -36.3715 GPRESSAVG: 4570200 -0.665757 76.5449 8.84369 78.1099 55.5387 8.87469 8.60797 5.62741 -35.8916 TIMING: 4570200 CPU: 13229, 0.00290471/step Wall: 13229, 0.00290471/step, 0.34679 hours remaining, 211.390625 MB of memory in use. ENERGY: 4570200 722.4439 2153.1293 1937.1751 123.3807 -205743.6464 17755.1467 0.0000 0.0000 33991.7508 -149060.6198 296.8584 -183052.3706 -148967.9349 299.8581 -3.7862 32.9901 558630.4536 6.1159 6.3271 PRESSURE: 4570400 16.669 166.412 -72.4847 166.412 78.0324 56.4204 -72.4842 56.4207 2.91881 GPRESSURE: 4570400 33.5164 174.207 -148.106 148.345 63.9625 78.2864 -47.1939 33.6243 89.1402 PRESSAVG: 4570400 37.8106 9.96538 -3.04328 9.96533 28.6665 -26.4912 -3.04315 -26.4912 -22.3097 GPRESSAVG: 4570400 38.1717 11.2853 -4.39578 8.40264 26.4495 -25.3569 -3.14819 -26.4272 -20.6922 TIMING: 4570400 CPU: 13229.6, 0.00289534/step Wall: 13229.6, 0.00289534/step, 0.34551 hours remaining, 211.390625 MB of memory in use. ENERGY: 4570400 713.5340 2105.2621 1930.9855 116.1813 -205926.6974 17643.7549 0.0000 0.0000 34327.9971 -149088.9825 299.7949 -183416.9796 -148992.0178 299.1083 32.5401 62.2064 557367.1103 14.7225 14.6430 PRESSURE: 4570600 -127.644 147.374 100.528 147.373 -48.7245 45.2216 100.529 45.2226 -220.235 GPRESSURE: 4570600 -66.1505 133.082 138.373 169.89 -54.2615 -26.3519 19.9778 9.236 -189.659 PRESSAVG: 4570600 20.1686 -9.19098 -11.736 -9.19101 0.00702332 -14.4483 -11.7361 -14.4482 14.7355 GPRESSAVG: 4570600 21.3968 -10.4608 -10.6421 -7.39025 0.201699 -16.689 -11.1634 -14.7743 13.6383 TIMING: 4570600 CPU: 13230.1, 0.00287519/step Wall: 13230.1, 0.00287519/step, 0.342946 hours remaining, 211.390625 MB of memory in use. ENERGY: 4570600 745.8762 2090.8902 1964.1808 113.0262 -205943.6255 17514.8929 0.0000 0.0000 34354.7633 -149159.9960 300.0287 -183514.7593 -149061.2723 299.8364 -132.2011 -103.3569 555989.6672 11.6370 11.7456 PRESSURE: 4570800 -3.95645 81.3926 -30.9795 81.3918 -88.375 -24.3253 -30.9799 -24.3256 -16.5787 GPRESSURE: 4570800 56.2322 169.7 -8.13555 73.5931 -73.7273 24.2125 -78.8819 21.9327 14.4483 PRESSAVG: 4570800 -50.2524 45.918 19.4589 45.918 14.296 48.5302 19.4588 48.5302 40.8634 GPRESSAVG: 4570800 -50.3318 47.7154 20.4447 44.9778 14.8398 48.7493 20.5075 49.716 40.5071 TIMING: 4570800 CPU: 13230.7, 0.00285618/step Wall: 13230.7, 0.00285618/step, 0.34052 hours remaining, 211.390625 MB of memory in use. ENERGY: 4570800 761.5944 2109.9764 1940.2472 126.1359 -205966.2680 17722.6460 0.0000 0.0000 34390.8648 -148914.8033 300.3440 -183305.6681 -148824.5676 299.5224 -36.3034 -1.0156 557562.8237 1.6357 1.6717 PRESSURE: 4571000 -397.03 116.807 -2.60376 116.807 -192.976 -10.0585 -2.60416 -10.0604 -170.237 GPRESSURE: 4571000 -285.257 42.2468 7.0038 135.022 -210.561 -40.0057 -6.05057 -21.814 -169.32 PRESSAVG: 4571000 7.02264 57.9552 -15.4848 57.9552 28.4394 -2.838 -15.4847 -2.83791 -49.4129 GPRESSAVG: 4571000 6.79763 56.0109 -15.9117 60.9265 28.7024 -0.438388 -15.4116 -5.16358 -49.8097 TIMING: 4571000 CPU: 13231.3, 0.00286728/step Wall: 13231.3, 0.00286728/step, 0.341684 hours remaining, 211.390625 MB of memory in use. ENERGY: 4571000 781.6603 2099.3468 1982.1631 113.1757 -205867.9550 17677.2100 0.0000 0.0000 34409.8947 -148804.5044 300.5102 -183214.3991 -148707.6528 300.9427 -253.4143 -221.7129 560080.8628 -4.6503 -4.7699 PRESSURE: 4571200 -260.249 41.6287 -62.2625 41.6297 -107.068 -50.0265 -62.2619 -50.0271 122.541 GPRESSURE: 4571200 -249.537 31.4031 -126.184 89.6536 -50.4573 -66.1891 -43.0695 26.2263 153.251 PRESSAVG: 4571200 -38.9618 -9.60868 15.5957 -9.60863 80.7399 -45.1577 15.5956 -45.1576 14.7367 GPRESSAVG: 4571200 -37.7827 -9.98719 13.9591 -10.8482 78.4759 -46.381 14.4205 -42.8113 16.097 TIMING: 4571200 CPU: 13231.9, 0.00287037/step Wall: 13231.9, 0.00287037/step, 0.341893 hours remaining, 211.390625 MB of memory in use. ENERGY: 4571200 714.3002 2111.9751 1972.6186 116.1981 -205772.0173 17648.1558 0.0000 0.0000 34447.2831 -148761.4864 300.8367 -183208.7695 -148664.1636 300.7164 -81.5922 -48.9145 557914.2528 18.8383 18.9301 PRESSURE: 4571400 -30.3639 -34.787 -4.585 -34.786 99.5112 19.9086 -4.58466 19.9089 75.0014 GPRESSURE: 4571400 46.5588 49.2163 5.05973 -71.985 120.875 -60.9078 -7.49755 48.039 81.2379 PRESSAVG: 4571400 0.571738 -21.9156 7.10278 -21.9155 -6.7007 15.7205 7.10282 15.7206 11.1555 GPRESSAVG: 4571400 -0.588353 -21.4852 6.59353 -21.6373 -5.50882 17.7545 8.7053 14.7253 11.745 TIMING: 4571400 CPU: 13232.4, 0.00289977/step Wall: 13232.4, 0.00289977/step, 0.345234 hours remaining, 211.390625 MB of memory in use. ENERGY: 4571400 754.5045 2108.7183 1949.0766 106.4409 -205833.0631 17826.6800 0.0000 0.0000 34331.6073 -148756.0356 299.8265 -183087.6428 -148661.1679 301.2324 48.0496 82.8907 556497.9767 1.6755 1.8826 PRESSURE: 4571600 257.064 26.7003 81.2094 26.6995 127.566 -26.819 81.2096 -26.8185 -255.627 GPRESSURE: 4571600 311.828 65.1919 64.6295 -15.0252 146.512 5.27648 63.2579 -82.6777 -238.41 PRESSAVG: 4571600 -33.0258 -46.2779 73.0455 -46.2779 21.3301 37.7835 73.0455 37.7835 -42.2351 GPRESSAVG: 4571600 -33.3214 -48.5323 76.5056 -45.0307 21.8352 35.9243 70.1078 38.4735 -43.2869 TIMING: 4571600 CPU: 13233, 0.00291508/step Wall: 13233, 0.00291508/step, 0.346895 hours remaining, 211.390625 MB of memory in use. ENERGY: 4571600 722.1310 2087.6643 1970.4884 118.2598 -205778.7578 17798.5178 0.0000 0.0000 34334.0318 -148747.6647 299.8476 -183081.6964 -148655.7307 300.6456 43.0011 73.3099 557370.6562 -17.9769 -18.2577 PRESSURE: 4571800 -100.196 149.996 118.338 149.995 -138.758 -137.488 118.337 -137.486 -127.843 GPRESSURE: 4571800 -30.7944 164.92 93.7388 163.725 -99.6622 -100.322 -47.2502 -175.221 -138.82 PRESSAVG: 4571800 66.0549 0.174189 27.2504 0.174188 6.2454 -27.9135 27.2504 -27.9135 -81.7222 GPRESSAVG: 4571800 68.0329 1.86291 26.1627 -1.50948 4.78213 -26.1282 29.3851 -29.6251 -82.3578 TIMING: 4571800 CPU: 13233.6, 0.00288281/step Wall: 13233.6, 0.00288281/step, 0.342895 hours remaining, 211.390625 MB of memory in use. ENERGY: 4571800 760.2140 2132.8056 1940.6089 108.5741 -205478.3180 17511.9526 0.0000 0.0000 34299.0788 -148725.0839 299.5424 -183024.1627 -148633.1431 300.5177 -122.2660 -89.7589 558551.9581 -3.1406 -3.1809 PRESSURE: 4572000 36.4749 -91.4631 64.6774 -91.4621 -51.2545 -35.9464 64.6773 -35.9452 -185.427 GPRESSURE: 4572000 68.2707 -31.0624 124.075 -68.5595 -83.1293 -44.3829 19.6063 -63.3868 -87.3019 PRESSAVG: 4572000 35.1477 -2.21176 33.9628 -2.21173 -2.28211 -22.1499 33.9628 -22.1499 -51.2848 GPRESSAVG: 4572000 32.9594 -1.92804 35.0689 -2.22771 -1.29806 -22.7203 32.672 -22.9581 -50.0027 TIMING: 4572000 CPU: 13234.2, 0.00289961/step Wall: 13234.2, 0.00289961/step, 0.344732 hours remaining, 211.390625 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: 4572000 724.2603 2082.0487 1972.2644 115.0477 -205699.5203 17395.0727 0.0000 0.0000 34391.5447 -149019.2819 300.3499 -183410.8267 -148919.4300 299.7241 -66.7354 -34.0535 556551.3519 -6.1398 -6.1138 PRESSURE: 4572200 -16.9986 45.8551 12.7299 45.8538 4.8404 67.2645 12.7289 67.2653 -187.253 GPRESSURE: 4572200 22.1966 92.2288 141.281 -41.3373 25.9238 40.7269 -33.0241 7.03885 -157.935 PRESSAVG: 4572200 47.461 -3.28638 38.017 -3.28633 -16.2974 31.8339 38.0169 31.8338 -2.65905 GPRESSAVG: 4572200 48.1753 -3.06098 38.3078 -3.70835 -16.9737 31.6415 37.8529 32.6083 -2.5144 TIMING: 4572200 CPU: 13234.8, 0.00289571/step Wall: 13234.8, 0.00289571/step, 0.344107 hours remaining, 211.390625 MB of memory in use. ENERGY: 4572200 798.8701 2117.8326 1951.1577 100.7021 -206299.7729 17857.2560 0.0000 0.0000 34350.9871 -149122.9674 299.9957 -183473.9545 -149026.8001 300.1773 -66.4703 -36.6050 556403.0521 9.5015 9.5624 LDB: ============= START OF LOAD BALANCING ============== 13238.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13238.1 LDB: =============== DONE WITH MIGRATION ================ 13238.1 LDB: ============= START OF LOAD BALANCING ============== 13238.4 LDB: Largest compute 4772 load 0.026292 is 22.3% of average load 0.118057 LDB: Average compute 0.001730 is 1.5% of average load 0.118057 LDB: TIME 13238.4 LOAD: AVG 0.118057 MAX 0.182376 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.414 MB LDB: TIME 13238.4 LOAD: AVG 0.118057 MAX 0.182376 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.414 MB LDB: TIME 13238.4 LOAD: AVG 0.118057 MAX 0.182376 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.414 MB LDB: ============== END OF LOAD BALANCING =============== 13238.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13238.5 PRESSURE: 4572400 -316.964 31.3899 146.2 31.3903 -154.163 28.6762 146.2 28.6768 -115.645 GPRESSURE: 4572400 -360.391 12.8986 129.985 91.7214 -124.587 -19.3437 165.4 54.7535 -10.0677 PRESSAVG: 4572400 15.3071 9.24805 17.5241 9.24798 12.7848 59.4286 17.5241 59.4287 -9.15026 GPRESSAVG: 4572400 14.0631 7.82853 15.9658 10.4628 15.0069 60.546 17.9895 57.4435 -10.7594 TIMING: 4572400 CPU: 13235.4, 0.00297048/step Wall: 13235.4, 0.00297048/step, 0.352827 hours remaining, 209.953125 MB of memory in use. ENERGY: 4572400 724.8064 2098.3667 1929.8890 110.2317 -206065.1013 17557.2180 0.0000 0.0000 34403.2950 -149241.2946 300.4525 -183644.5896 -149142.7241 299.7491 -195.5907 -165.0154 558253.2472 6.3139 6.1035 PRESSURE: 4572600 34.2382 -2.85414 -93.0004 -2.85322 392.248 -98.3921 -93.0003 -98.3926 -18.2289 GPRESSURE: 4572600 134.887 -53.8955 -37.0554 44.1578 352.653 -101.558 -177.931 5.16967 20.9944 PRESSAVG: 4572600 -4.34642 -3.25433 75.9987 -3.25429 24.9169 -18.5181 75.9986 -18.518 52.9531 GPRESSAVG: 4572600 -4.23904 -3.39518 77.5572 -2.39356 23.0654 -19.3189 75.5296 -16.7387 54.4576 TIMING: 4572600 CPU: 13235.9, 0.00290231/step Wall: 13235.9, 0.00290231/step, 0.344569 hours remaining, 209.953125 MB of memory in use. ENERGY: 4572600 748.3936 2117.9065 1940.7057 118.4049 -206694.3383 18144.9749 0.0000 0.0000 34290.9793 -149332.9735 299.4717 -183623.9529 -149243.4409 298.8114 136.0859 169.5113 555848.2123 24.5078 24.4280 PRESSURE: 4572800 187.103 74.7913 -40.5746 74.7918 -101.965 154.766 -40.5735 154.766 -29.6543 GPRESSURE: 4572800 250.228 85.655 -6.68296 17.7062 -79.4114 275.385 -43.1845 135.892 -15.0581 PRESSAVG: 4572800 53.0496 -5.04352 -19.0069 -5.04354 -39.8732 27.7853 -19.0069 27.7852 -29.4518 GPRESSAVG: 4572800 53.0803 -4.82981 -20.291 -6.57891 -39.3441 26.1296 -21.1028 31.9594 -29.9507 TIMING: 4572800 CPU: 13236.5, 0.0029074/step Wall: 13236.5, 0.0029074/step, 0.345012 hours remaining, 209.953125 MB of memory in use. ENERGY: 4572800 782.3156 2040.3460 1955.6955 109.4367 -206519.9601 17929.9692 0.0000 0.0000 34388.8801 -149313.3170 300.3266 -183702.1971 -149211.8472 299.5686 18.4947 51.9194 556633.5086 -5.4251 -5.4049 PRESSURE: 4573000 44.9818 171.837 80.9756 171.838 -5.31713 48.424 80.9754 48.4249 181.351 GPRESSURE: 4573000 48.3406 155.951 102.139 274.872 44.7632 85.6938 39.713 60.1998 235.637 PRESSAVG: 4573000 -41.0021 -14.3947 -24.504 -14.3948 18.5874 28.9391 -24.504 28.939 29.0374 GPRESSAVG: 4573000 -41.306 -13.2236 -25.5967 -14.3153 18.6117 32.18 -19.9395 23.4547 29.3707 TIMING: 4573000 CPU: 13237.1, 0.00289017/step Wall: 13237.1, 0.00289017/step, 0.342806 hours remaining, 209.953125 MB of memory in use. ENERGY: 4573000 734.2673 2033.3529 1946.1494 111.4679 -206578.6409 18020.7395 0.0000 0.0000 34383.5699 -149349.0941 300.2803 -183732.6640 -149255.1173 299.2165 73.6718 109.5804 557010.7579 2.2075 2.2255 PRESSURE: 4573200 -123.186 332.345 154.898 332.345 -151.965 -74.4433 154.9 -74.4428 -80.1222 GPRESSURE: 4573200 -161.721 330.431 144.511 343.037 -99.5048 -133.114 57.9648 -112.657 12.2491 PRESSAVG: 4573200 -14.3101 51.7416 59.158 51.7415 -24.5618 -45.0792 59.158 -45.0792 64.7692 GPRESSAVG: 4573200 -13.0454 51.0536 60.3 51.285 -24.7107 -47.3912 58.0835 -43.9647 63.7825 TIMING: 4573200 CPU: 13237.7, 0.00288949/step Wall: 13237.7, 0.00288949/step, 0.342565 hours remaining, 209.953125 MB of memory in use. ENERGY: 4573200 715.6878 2007.1740 1937.3898 114.2704 -205856.4942 17503.3105 0.0000 0.0000 34137.2001 -149441.4615 298.1287 -183578.6616 -149343.3020 298.7043 -118.4245 -82.9924 557130.4402 8.6324 8.6755 PRESSURE: 4573400 -203.912 -25.5396 -31.4187 -25.54 -132.393 -18.0915 -31.4188 -18.0926 92.7228 GPRESSURE: 4573400 -124.794 -31.5016 8.88468 55.8789 -94.8453 27.2543 -12.3651 -12.4595 66.7738 PRESSAVG: 4573400 -69.7469 24.396 19.0189 24.3961 5.08398 24.096 19.0189 24.0961 76.1873 GPRESSAVG: 4573400 -69.6588 25.2255 18.6812 25.9833 5.08731 24.647 18.7323 24.7726 76.3156 TIMING: 4573400 CPU: 13238.3, 0.00289916/step Wall: 13238.3, 0.00289916/step, 0.343551 hours remaining, 209.953125 MB of memory in use. ENERGY: 4573400 736.7988 2005.2380 1919.3436 118.3793 -206232.7240 17838.6253 0.0000 0.0000 34195.7540 -149418.5850 298.6400 -183614.3390 -149326.0253 298.9994 -81.1942 -50.9553 557642.1313 3.8415 3.9147 PRESSURE: 4573600 -113.58 11.5339 86.3767 11.5329 -137.343 -66.9188 86.375 -66.9203 -175.566 GPRESSURE: 4573600 -80.1486 -21.7053 145.11 113.763 -71.8684 -21.7633 115.084 -107.844 -180.725 PRESSAVG: 4573600 15.556 -25.5042 13.1585 -25.5042 -38.9995 21.6606 13.1586 21.6606 26.985 GPRESSAVG: 4573600 16.4523 -26.2274 12.9577 -25.5351 -39.5486 22.0373 11.721 21.0669 26.7103 TIMING: 4573600 CPU: 13238.8, 0.00288622/step Wall: 13238.8, 0.00288622/step, 0.341857 hours remaining, 209.953125 MB of memory in use. ENERGY: 4573600 766.7895 2050.8925 1930.2851 120.3302 -206284.4107 17718.8925 0.0000 0.0000 34230.3172 -149466.9035 298.9419 -183697.2207 -149373.7411 299.0093 -142.1628 -110.9141 556587.1683 1.1805 1.2047 PRESSURE: 4573800 16.4077 39.8806 15.5763 39.8806 80.416 -48.01 15.5755 -48.0111 227.389 GPRESSURE: 4573800 62.1863 100.32 57.9891 27.041 31.4277 -49.2653 -115.267 -107.381 330.749 PRESSAVG: 4573800 -61.5143 34.9146 5.74699 34.9145 -90.279 4.91887 5.74692 4.91897 123.585 GPRESSAVG: 4573800 -63.233 34.5405 6.4512 35.7443 -89.6654 5.07246 6.406 5.48073 124.958 TIMING: 4573800 CPU: 13239.4, 0.0028827/step Wall: 13239.4, 0.0028827/step, 0.341279 hours remaining, 209.953125 MB of memory in use. ENERGY: 4573800 711.2498 2037.2840 1954.1533 100.3539 -206690.5429 18146.6225 0.0000 0.0000 34133.5569 -149607.3226 298.0968 -183740.8795 -149516.1662 298.9301 108.0708 141.4542 557313.3982 -9.4029 -9.3136 PRESSURE: 4574000 -164.252 37.7175 103.803 37.7168 71.2417 174.283 103.803 174.282 -228.098 GPRESSURE: 4574000 -76.0462 1.96374 218.02 75.4444 57.3084 79.9242 94.8244 260.453 -206.042 PRESSAVG: 4574000 -42.0289 60.846 47.4399 60.846 -50.1515 7.83084 47.4399 7.83077 77.7455 GPRESSAVG: 4574000 -41.4382 61.6206 46.623 59.6921 -49.8081 5.57025 48.3569 9.07882 76.8854 TIMING: 4574000 CPU: 13240, 0.00288474/step Wall: 13240, 0.00288474/step, 0.341361 hours remaining, 209.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4574000 709.1115 2043.1347 1936.4714 115.2874 -206526.4452 17832.4828 0.0000 0.0000 34309.4405 -149580.5168 299.6329 -183889.9574 -149484.0691 298.2837 -107.0362 -74.9267 558659.1543 -4.8116 -4.7869 PRESSURE: 4574200 -30.5181 104.676 11.8073 104.675 -307.772 -3.88693 11.8072 -3.8861 -67.1437 GPRESSURE: 4574200 -53.9074 136.61 46.1777 53.9598 -260.258 26.2246 -79.099 -14.8417 13.8883 PRESSAVG: 4574200 6.5794 23.4212 66.7268 23.4213 53.4994 -10.3947 66.7266 -10.3946 -90.3479 GPRESSAVG: 4574200 6.94076 24.625 65.4671 21.6199 52.5017 -9.22357 67.5515 -11.6112 -89.7961 TIMING: 4574200 CPU: 13240.6, 0.00289451/step Wall: 13240.6, 0.00289451/step, 0.342356 hours remaining, 209.953125 MB of memory in use. ENERGY: 4574200 717.0228 2017.6540 1943.2799 105.4364 -206304.8977 17713.8428 0.0000 0.0000 34350.7765 -149456.8853 299.9939 -183807.6619 -149358.3055 298.2757 -135.1446 -100.0922 557801.0064 -10.0897 -10.1179 PRESSURE: 4574400 171.596 -13.8388 1.01772 -13.8381 -190.268 98.3945 1.01599 98.3933 10.0708 GPRESSURE: 4574400 234.723 22.8511 -8.73688 -52.1332 -170.458 31.3714 10.8521 78.1473 28.3404 PRESSAVG: 4574400 28.9676 7.15301 8.52065 7.15307 10.0688 59.1393 8.52057 59.1394 -5.64325 GPRESSAVG: 4574400 29.0852 6.42227 8.86239 6.82358 10.4547 59.3035 7.82564 59.3683 -6.3163 TIMING: 4574400 CPU: 13241.1, 0.0028801/step Wall: 13241.1, 0.0028801/step, 0.340492 hours remaining, 209.953125 MB of memory in use. ENERGY: 4574400 750.3725 2022.5968 1927.7389 119.2006 -206293.4453 17884.0619 0.0000 0.0000 34246.7312 -149342.7434 299.0852 -183589.4746 -149246.6925 298.9356 -2.8672 30.8684 557569.2811 11.1310 11.0745 PRESSURE: 4574600 -67.7818 43.5606 -130.111 43.5609 30.5665 -77.5834 -130.112 -77.5828 -177.904 GPRESSURE: 4574600 -14.8662 17.5729 -107.367 93.4113 43.9275 -127.719 -59.4352 -73.0082 -139.638 PRESSAVG: 4574600 28.1098 -19.1974 43.1731 -19.1975 68.3106 6.11586 43.1731 6.11587 -47.6919 GPRESSAVG: 4574600 27.1172 -18.984 43.6157 -18.3166 69.1898 6.91849 42.5522 4.35608 -48.0047 TIMING: 4574600 CPU: 13241.7, 0.00290164/step Wall: 13241.7, 0.00290164/step, 0.342877 hours remaining, 209.953125 MB of memory in use. ENERGY: 4574600 712.8411 2048.9922 1946.4466 111.7835 -206107.3950 17747.4936 0.0000 0.0000 34139.4099 -149400.4280 298.1480 -183539.8380 -149309.3866 298.9267 -71.7066 -36.8590 558799.2996 16.2428 16.1008 PRESSURE: 4574800 293.854 61.2544 -10.1015 61.2548 348.794 7.61864 -10.1019 7.61907 78.9983 GPRESSURE: 4574800 237.903 92.9758 -121.334 60.0716 387.051 68.3753 8.64824 10.8485 172.614 PRESSAVG: 4574800 14.0524 -8.79451 -2.95003 -8.79448 43.5749 -45.8276 -2.95013 -45.8275 4.59689 GPRESSAVG: 4574800 14.4458 -9.50656 -1.58037 -9.60209 41.4349 -45.1376 -3.59562 -46.1445 6.45193 TIMING: 4574800 CPU: 13242.3, 0.00288384/step Wall: 13242.3, 0.00288384/step, 0.340614 hours remaining, 209.953125 MB of memory in use. ENERGY: 4574800 762.8569 2059.5074 1964.8550 112.0820 -206841.2121 18209.9795 0.0000 0.0000 34305.4952 -149426.4360 299.5984 -183731.9312 -149331.3259 298.5646 240.5490 265.8560 555677.6558 20.7414 20.7775 PRESSURE: 4575000 -62.5583 35.266 -30.3509 35.2655 20.4561 -5.18984 -30.3512 -5.18929 -69.1654 GPRESSURE: 4575000 -19.6974 80.169 -45.2039 3.94843 70.8759 -24.4892 -4.70021 4.35267 -52.7864 PRESSAVG: 4575000 5.98448 -21.3088 -1.94256 -21.3088 -19.4538 -30.0518 -1.9427 -30.0518 35.3844 GPRESSAVG: 4575000 5.92874 -20.5539 -3.39813 -19.4405 -18.6532 -30.4171 -2.04802 -30.5417 34.4283 TIMING: 4575000 CPU: 13242.9, 0.00290061/step Wall: 13242.9, 0.00290061/step, 0.342433 hours remaining, 209.953125 MB of memory in use. ENERGY: 4575000 740.5063 2092.5992 1954.7359 114.6032 -206256.9236 17818.7154 0.0000 0.0000 34143.0435 -149392.7200 298.1797 -183535.7636 -149296.7834 298.6305 -37.0892 -0.5360 558080.9149 7.3050 7.2346 PRESSURE: 4575200 136.721 212.766 -134.234 212.766 59.5583 154.408 -134.233 154.408 10.1366 GPRESSURE: 4575200 145.993 228.53 -82.5008 130.303 74.0928 57.2596 -70.4441 176.283 87.0335 PRESSAVG: 4575200 -5.74118 26.9715 -10.0247 26.9715 26.5752 11.9479 -10.0247 11.948 -22.9507 GPRESSAVG: 4575200 -5.36455 27.3307 -8.7463 25.4143 27.4389 10.5524 -8.93258 12.6579 -23.9202 TIMING: 4575200 CPU: 13243.5, 0.0029078/step Wall: 13243.5, 0.0029078/step, 0.343121 hours remaining, 209.953125 MB of memory in use. ENERGY: 4575200 741.4796 2047.6573 1921.8653 119.5997 -206481.5325 18084.0588 0.0000 0.0000 34120.2648 -149446.6069 297.9808 -183566.8717 -149351.4269 298.3565 68.8054 102.3731 557358.5059 -0.7055 -0.6153 PRESSURE: 4575400 -166.542 -19.2435 1.61596 -19.2437 -191.921 103.897 1.6137 103.898 39.3436 GPRESSURE: 4575400 -138.245 -1.96554 0.108776 4.23576 -145.247 87.5232 -21.9538 53.4931 53.2034 PRESSAVG: 4575400 66.5844 -2.76795 -7.72113 -2.76799 -13.7328 26.1801 -7.72119 26.18 -12.0651 GPRESSAVG: 4575400 67.085 -3.12678 -9.13019 -0.933497 -13.7838 26.3593 -6.7628 26.2484 -12.2862 TIMING: 4575400 CPU: 13244, 0.00289216/step Wall: 13244, 0.00289216/step, 0.341114 hours remaining, 209.953125 MB of memory in use. ENERGY: 4575400 755.0360 2047.8328 1959.9389 112.8582 -206295.3348 17788.2950 0.0000 0.0000 34284.5218 -149346.8522 299.4153 -183631.3740 -149253.6920 298.2026 -106.3732 -76.7629 556381.6439 13.5955 13.6717 PRESSURE: 4575600 62.6654 112.856 184.104 112.855 -100.407 -87.457 184.105 -87.4569 18.246 GPRESSURE: 4575600 90.918 115.293 224.426 80.2021 -62.7158 -18.1848 86.3718 -165.134 46.8258 PRESSAVG: 4575600 27.222 -12.4526 29.1748 -12.4526 0.539143 2.35962 29.1748 2.35972 -59.7228 GPRESSAVG: 4575600 26.3582 -12.027 28.4699 -14.0348 1.66255 4.64253 28.3114 1.98553 -59.7233 TIMING: 4575600 CPU: 13244.6, 0.00290162/step Wall: 13244.6, 0.00290162/step, 0.342068 hours remaining, 209.953125 MB of memory in use. ENERGY: 4575600 737.0351 2127.5981 1954.9446 109.5935 -206194.4779 17762.9741 0.0000 0.0000 34235.1130 -149267.2195 298.9838 -183502.3325 -149175.6186 299.2550 -6.4985 25.0093 556557.2011 -10.6539 -10.5675 PRESSURE: 4575800 -141.442 -0.448508 -33.0082 -0.449201 -430.155 85.9232 -33.0075 85.9218 -389.983 GPRESSURE: 4575800 -117.807 -33.2921 26.2575 -9.4646 -383.589 13.0027 -87.7288 133.004 -351.767 PRESSAVG: 4575800 59.6552 34.4349 -37.3225 34.435 6.74907 23.7284 -37.3225 23.7284 -52.8366 GPRESSAVG: 4575800 59.7915 35.6236 -35.8161 32.6437 6.89025 23.7547 -38.1902 26.0119 -52.3252 TIMING: 4575800 CPU: 13245.2, 0.0028828/step Wall: 13245.2, 0.0028828/step, 0.339689 hours remaining, 209.953125 MB of memory in use. ENERGY: 4575800 787.9624 2066.0382 1961.2665 117.7754 -205978.6421 17486.0586 0.0000 0.0000 34320.8913 -149238.6498 299.7329 -183559.5410 -149142.9898 299.8835 -320.5265 -284.3875 557823.3164 4.5226 4.7855 PRESSURE: 4576000 41.7127 17.0243 -68.4443 17.0249 -6.71687 110.196 -68.4439 110.196 -345.441 GPRESSURE: 4576000 93.8396 12.6789 -32.1874 27.9475 -37.9858 177.622 -71.261 26.9283 -287.897 PRESSAVG: 4576000 40.0192 -6.94974 -17.071 -6.9497 7.04872 19.8248 -17.0709 19.8249 -69.836 GPRESSAVG: 4576000 40.2366 -7.70044 -17.2279 -4.67122 5.50531 17.2841 -16.314 18.6053 -68.8409 TIMING: 4576000 CPU: 13245.8, 0.00289338/step Wall: 13245.8, 0.00289338/step, 0.340776 hours remaining, 209.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4576000 732.6833 2098.8743 1921.7013 121.5305 -206096.8904 17671.3358 0.0000 0.0000 34287.3100 -149263.4552 299.4396 -183550.7652 -149160.5556 299.8981 -103.4816 -77.3479 557640.4829 -7.5894 -7.6997 PRESSURE: 4576200 -6.39051 183.194 34.95 183.194 -193.099 18.1449 34.9496 18.1458 -208.777 GPRESSURE: 4576200 57.5921 231.553 128.367 75.9678 -135.429 -0.242814 -47.9819 21.4553 -225.477 PRESSAVG: 4576200 91.9885 -0.350907 19.375 -0.350883 -29.9963 -22.134 19.3751 -22.1341 -40.4767 GPRESSAVG: 4576200 91.327 -2.18396 18.1489 -0.486898 -28.4883 -19.5656 20.8 -22.3507 -41.2288 TIMING: 4576200 CPU: 13246.4, 0.00289652/step Wall: 13246.4, 0.00289652/step, 0.340984 hours remaining, 209.953125 MB of memory in use. ENERGY: 4576200 730.1428 2088.7793 1928.5055 111.1661 -205887.7465 17493.0509 0.0000 0.0000 34409.1990 -149126.9029 300.5041 -183536.1019 -149025.4472 299.7272 -136.0890 -101.1046 556972.7313 7.1718 7.2033 LDB: ============= START OF LOAD BALANCING ============== 13249.7 LDB: ============== END OF LOAD BALANCING =============== 13249.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13249.7 LDB: ============= START OF LOAD BALANCING ============== 13250 LDB: Largest compute 4772 load 0.025401 is 21.5% of average load 0.118058 LDB: Average compute 0.001730 is 1.5% of average load 0.118058 LDB: TIME 13250 LOAD: AVG 0.118058 MAX 0.179377 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.492 MB LDB: TIME 13250 LOAD: AVG 0.118058 MAX 0.179377 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.562 MB LDB: TIME 13250 LOAD: AVG 0.118058 MAX 0.179377 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.562 MB LDB: ============== END OF LOAD BALANCING =============== 13250 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13250 PRESSURE: 4576400 97.7175 58.0256 53.6241 58.0256 38.5199 226.442 53.625 226.442 -52.4692 GPRESSURE: 4576400 83.4619 77.2667 -93.8025 48.4446 130.098 241.171 101.349 138.478 -31.6587 PRESSAVG: 4576400 4.94272 -31.1865 8.5602 -31.1865 -32.6602 28.414 8.56022 28.414 -45.094 GPRESSAVG: 4576400 5.50675 -31.1887 9.00573 -31.1641 -32.4031 27.4021 7.66615 27.4147 -45.9215 TIMING: 4576400 CPU: 13246.9, 0.00293707/step Wall: 13246.9, 0.00293707/step, 0.345595 hours remaining, 212.714844 MB of memory in use. ENERGY: 4576400 713.6084 2068.7288 1929.1380 112.5430 -206238.8278 17937.4748 0.0000 0.0000 34297.5190 -149179.8159 299.5288 -183477.3349 -149078.8691 299.3806 27.9227 60.6337 557150.9000 -24.2705 -24.2726 PRESSURE: 4576600 -6.74267 87.2196 120.601 87.2199 1.32549 -54.831 120.603 -54.8306 4.09245 GPRESSURE: 4576600 21.5262 115.783 117.914 20.9109 -5.35063 -145.848 142.982 -44.1119 72.5816 PRESSAVG: 4576600 -81.2786 -30.6545 -26.1089 -30.6545 70.9503 38.7512 -26.109 38.7512 6.25323 GPRESSAVG: 4576600 -82.0724 -30.7722 -26.9815 -30.8342 71.1001 38.9881 -26.0575 37.9685 6.91334 TIMING: 4576600 CPU: 13247.5, 0.00291199/step Wall: 13247.5, 0.00291199/step, 0.342482 hours remaining, 212.714844 MB of memory in use. ENERGY: 4576600 743.4473 2047.5651 1957.4059 112.3068 -206200.8499 17755.3926 0.0000 0.0000 34318.2415 -149266.4907 299.7097 -183584.7322 -149165.2883 299.0822 -0.4416 29.5857 557905.2976 -1.3584 -1.3530 PRESSURE: 4576800 111.874 -293.326 -236.055 -293.326 17.5738 -18.2426 -236.056 -18.243 369.381 GPRESSURE: 4576800 194.619 -266.721 -254.705 -361.54 16.8713 -8.90797 -178.805 70.7712 384.031 PRESSAVG: 4576800 -26.6385 -30.2357 22.2451 -30.2357 -26.8194 59.3952 22.245 59.3952 21.7246 GPRESSAVG: 4576800 -27.4526 -28.3479 24.1561 -31.866 -26.2961 58.5527 22.278 60.5161 21.9988 TIMING: 4576800 CPU: 13248.1, 0.00288146/step Wall: 13248.1, 0.00288146/step, 0.338732 hours remaining, 212.714844 MB of memory in use. ENERGY: 4576800 755.0336 2092.5636 1936.8192 118.0262 -206738.0996 18206.3447 0.0000 0.0000 34334.3982 -149294.9141 299.8508 -183629.3122 -149201.9740 297.9542 166.2762 198.5070 557246.7058 -10.5778 -10.5833 PRESSURE: 4577000 -5.17021 -43.0863 -50.9564 -43.0856 10.1193 20.8588 -50.9572 20.859 240.65 GPRESSURE: 4577000 -15.8542 -64.3892 -61.5759 30.5325 60.8828 -63.7537 -86.401 74.3239 304.628 PRESSAVG: 4577000 5.04458 -46.0174 13.4895 -46.0174 16.3852 12.0658 13.4895 12.0659 15.8305 GPRESSAVG: 4577000 5.2021 -47.1449 14.3365 -46.6267 15.4276 8.86356 12.3762 12.9339 16.3373 TIMING: 4577000 CPU: 13248.7, 0.00290317/step Wall: 13248.7, 0.00290317/step, 0.341123 hours remaining, 212.714844 MB of memory in use. ENERGY: 4577000 723.6535 2035.4543 1948.4330 114.6263 -206358.4970 17910.6129 0.0000 0.0000 34164.6278 -149461.0893 298.3682 -183625.7170 -149366.5722 298.7999 81.8663 116.5523 556751.3632 12.4201 12.3223 PRESSURE: 4577200 68.1341 121.385 64.8953 121.385 162.022 56.1248 64.8945 56.1249 -41.3244 GPRESSURE: 4577200 102.493 192.975 48.5628 -3.90077 220.041 6.45816 89.5364 91.1088 -32.3411 PRESSAVG: 4577200 26.6479 -0.219021 62.6511 -0.218935 10.9433 11.7532 62.6511 11.7533 -19.9078 GPRESSAVG: 4577200 26.6882 1.80178 58.8451 0.222083 11.2962 16.6639 63.9736 10.6315 -20.6324 TIMING: 4577200 CPU: 13249.3, 0.00291568/step Wall: 13249.3, 0.00291568/step, 0.342431 hours remaining, 212.726562 MB of memory in use. ENERGY: 4577200 754.5508 2106.5268 1933.8688 108.9080 -206556.8830 17988.8247 0.0000 0.0000 34296.0472 -149368.1565 299.5159 -183664.2037 -149277.1389 298.5863 62.9440 96.7309 557013.5535 5.8945 5.7840 PRESSURE: 4577400 -68.1103 54.2946 -70.6891 54.2953 -196.749 92.8159 -70.6886 92.815 9.43506 GPRESSURE: 4577400 -2.10679 116.998 -27.7632 81.1755 -185.311 139.611 -78.5925 92.2535 28.3729 PRESSAVG: 4577400 -38.4334 24.9168 64.2586 24.9169 -15.3972 51.9153 64.2586 51.9154 -10.3423 GPRESSAVG: 4577400 -38.1682 22.2053 65.3431 26.9242 -15.2973 51.8009 65.6524 51.0364 -10.5989 TIMING: 4577400 CPU: 13249.8, 0.00291044/step Wall: 13249.8, 0.00291044/step, 0.341653 hours remaining, 212.726562 MB of memory in use. ENERGY: 4577400 762.5241 2061.2320 1932.6257 102.2707 -206085.8627 17590.8707 0.0000 0.0000 34469.0773 -149167.2622 301.0270 -183636.3395 -149064.6750 298.8685 -85.1414 -53.0150 557292.1856 -21.3910 -21.3548 PRESSURE: 4577600 20.1718 -177.258 -118.481 -177.257 -40.9204 -40.4797 -118.481 -40.4814 177.346 GPRESSURE: 4577600 63.7445 -199.233 -110.363 -163.855 -35.4563 -34.0117 -109.713 -110.875 215.544 PRESSAVG: 4577600 -20.7294 -2.78431 5.46251 -2.78426 -3.21105 -11.2611 5.46254 -11.2612 5.74136 GPRESSAVG: 4577600 -21.0552 -2.21349 7.82581 -3.06538 -2.63551 -11.7001 1.06486 -9.00894 5.61348 TIMING: 4577600 CPU: 13250.4, 0.00291926/step Wall: 13250.4, 0.00291926/step, 0.342527 hours remaining, 212.726562 MB of memory in use. ENERGY: 4577600 744.2386 2069.4181 1934.9475 111.3983 -205942.2365 17756.7977 0.0000 0.0000 34415.2679 -148910.1685 300.5571 -183325.4364 -148818.0727 299.8146 52.1991 81.2774 556704.4495 -6.0664 -6.0257 PRESSURE: 4577800 32.0898 66.4738 -91.5539 66.4743 -55.1828 -148.443 -91.5542 -148.444 129.632 GPRESSURE: 4577800 69.1378 64.6666 -115.777 79.8796 9.70187 -187.085 8.86602 -27.0267 124.978 PRESSAVG: 4577800 7.89811 -33.4033 -55.4204 -33.4034 -47.1631 27.3884 -55.4204 27.3884 55.7858 GPRESSAVG: 4577800 9.14035 -33.2642 -55.6838 -34.7302 -47.1527 26.5216 -52.6281 26.3285 55.4116 TIMING: 4577800 CPU: 13251, 0.00290229/step Wall: 13251, 0.00290229/step, 0.340374 hours remaining, 212.726562 MB of memory in use. ENERGY: 4577800 776.6908 2066.7158 1934.9028 120.3714 -205919.5672 17677.4178 0.0000 0.0000 34365.7253 -148977.7433 300.1244 -183343.4686 -148877.1107 300.3651 35.5131 67.9394 556668.2013 5.5069 5.7998 PRESSURE: 4578000 -439.693 29.0866 53.0214 29.0863 -182.889 -163.116 53.0212 -163.116 -41.7083 GPRESSURE: 4578000 -354.784 86.5777 13.3716 -25.3652 -174.841 -288.005 -27.992 -80.0401 -35.1852 PRESSAVG: 4578000 -59.7337 -65.4814 2.47754 -65.4813 -9.0811 -9.24535 2.47753 -9.24536 20.8951 GPRESSAVG: 4578000 -60.8781 -66.883 2.05631 -63.8708 -9.0981 -10.7242 1.77942 -7.88079 22.4258 TIMING: 4578000 CPU: 13251.6, 0.00291145/step Wall: 13251.6, 0.00291145/step, 0.341287 hours remaining, 212.929688 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: 4578000 738.7026 2029.1944 1958.8843 127.7663 -205576.2869 17343.7750 0.0000 0.0000 34382.2456 -148995.7189 300.2687 -183377.9645 -148898.1691 299.8284 -221.4300 -188.2701 557460.7136 -15.9732 -15.8501 PRESSURE: 4578200 -144.999 207.534 17.9055 207.533 -198.33 -20.673 17.9063 -20.6723 -44.4152 GPRESSURE: 4578200 -145.576 133.873 -12.8716 170.839 -159.863 -15.8669 10.5092 -9.24574 24.0947 PRESSAVG: 4578200 -33.5872 23.854 -11.4822 23.854 -8.19555 0.758441 -11.4823 0.758469 49.6341 GPRESSAVG: 4578200 -32.9977 24.9392 -11.7301 23.1282 -8.42098 1.85064 -11.6353 0.419214 48.8961 TIMING: 4578200 CPU: 13252.2, 0.00291483/step Wall: 13252.2, 0.00291483/step, 0.341521 hours remaining, 212.929688 MB of memory in use. ENERGY: 4578200 744.3498 2027.8306 1929.3784 111.8741 -205531.2785 17461.0367 0.0000 0.0000 34223.1447 -149033.6643 298.8792 -183256.8090 -148939.5528 299.5936 -129.2478 -93.7815 557932.4080 2.6171 2.4925 PRESSURE: 4578400 -66.1569 -59.7312 -268.744 -59.7321 219.068 32.8222 -268.744 32.8215 113.726 GPRESSURE: 4578400 -33.7413 -114.91 -237.145 -41.6165 239.349 -32.4308 -298.106 73.2174 161.195 PRESSAVG: 4578400 -40.4946 30.0411 -22.3483 30.0411 61.8665 18.1475 -22.3483 18.1475 15.4931 GPRESSAVG: 4578400 -39.599 29.2457 -24.2972 31.6567 60.4947 16.625 -21.1301 17.1561 15.9142 TIMING: 4578400 CPU: 13252.8, 0.00291024/step Wall: 13252.8, 0.00291024/step, 0.340822 hours remaining, 212.929688 MB of memory in use. ENERGY: 4578400 755.3715 2068.1829 1886.0939 102.4864 -206119.4431 17861.2509 0.0000 0.0000 34395.7919 -149050.2656 300.3870 -183446.0575 -148946.2160 299.7874 88.8790 122.2677 555552.5635 12.2883 12.2700 PRESSURE: 4578600 -49.3358 -121.734 24.9393 -121.734 53.0753 -56.2468 24.9385 -56.2457 -262.667 GPRESSURE: 4578600 1.70182 -198.579 16.9041 -41.4985 84.1807 38.7527 -18.7422 -133.91 -238.268 PRESSAVG: 4578600 -20.1188 -13.2485 -15.1936 -13.2486 -40.3225 6.79866 -15.1936 6.79871 53.2297 GPRESSAVG: 4578600 -20.4437 -13.6223 -14.2459 -12.2934 -39.4548 9.27015 -15.0955 7.31825 52.6664 TIMING: 4578600 CPU: 13253.3, 0.00291985/step Wall: 13253.3, 0.00291985/step, 0.341784 hours remaining, 212.929688 MB of memory in use. ENERGY: 4578600 754.2652 2072.1361 1935.0618 102.6089 -205827.0466 17494.6565 0.0000 0.0000 34408.2761 -149060.0420 300.4960 -183468.3181 -148968.5505 299.4690 -86.3093 -50.7951 557946.2427 -2.4039 -2.4107 PRESSURE: 4578800 187.433 26.129 131.985 26.1286 221.113 4.68348 131.985 4.68432 147.622 GPRESSURE: 4578800 193.183 -46.0087 89.3988 164.844 296.597 62.4446 85.0583 -20.4764 161.611 PRESSAVG: 4578800 -29.5484 -12.6789 14.3716 -12.6789 -22.8775 -21.3922 14.3716 -21.3922 36.2624 GPRESSAVG: 4578800 -29.991 -11.0362 14.2957 -14.8957 -23.2489 -22.6504 12.3308 -20.6947 36.9016 TIMING: 4578800 CPU: 13253.9, 0.00291827/step Wall: 13253.9, 0.00291827/step, 0.341437 hours remaining, 212.929688 MB of memory in use. ENERGY: 4578800 740.7034 2106.8050 1920.2419 108.1523 -206272.9929 18073.9971 0.0000 0.0000 34153.3346 -149169.7587 298.2696 -183323.0932 -149075.7307 299.3752 185.3892 217.1307 557056.7282 -5.3878 -5.4461 PRESSURE: 4579000 -20.5621 -30.3181 136.022 -30.3181 -156.808 -119.424 136.022 -119.424 -259.416 GPRESSURE: 4579000 45.864 -85.0836 102.479 -99.1007 -140.624 -68.8618 152.229 -100.881 -250.493 PRESSAVG: 4579000 20.5521 -36.8606 -4.29466 -36.8606 -0.367394 -25.0472 -4.29468 -25.0471 -2.99358 GPRESSAVG: 4579000 20.668 -38.0136 -6.47635 -37.7914 -0.316081 -23.6595 -2.93436 -26.0296 -3.57338 TIMING: 4579000 CPU: 13254.5, 0.0028986/step Wall: 13254.5, 0.0028986/step, 0.338975 hours remaining, 212.929688 MB of memory in use. ENERGY: 4579000 778.9625 2103.8937 1959.2167 114.4505 -205871.9603 17670.6470 0.0000 0.0000 34100.1260 -149144.6640 297.8049 -183244.7900 -149048.8149 299.3763 -145.5955 -115.0845 558432.0009 5.7304 5.5929 PRESSURE: 4579200 -6.34357 -46.6301 10.6487 -46.6292 -30.6758 -98.5249 10.6485 -98.5233 72.9725 GPRESSURE: 4579200 49.8298 4.58367 33.8399 -47.2678 -35.7943 -10.3587 24.2145 -97.7836 121.227 PRESSAVG: 4579200 -46.549 -21.8242 24.6242 -21.8243 -40.4916 -49.1857 24.6242 -49.1859 59.336 GPRESSAVG: 4579200 -47.6498 -19.1106 25.9178 -22.5335 -40.1994 -49.6634 23.7461 -48.2662 59.5336 TIMING: 4579200 CPU: 13255.1, 0.00288613/step Wall: 13255.1, 0.00288613/step, 0.337357 hours remaining, 212.929688 MB of memory in use. ENERGY: 4579200 722.6029 2077.7465 1947.6110 112.2464 -206261.0673 17931.4029 0.0000 0.0000 34366.3734 -149103.0842 300.1301 -183469.4576 -149010.9389 299.3032 11.9844 45.0874 557687.3343 -9.2349 -9.4385 PRESSURE: 4579400 14.8985 208.178 65.5802 208.178 0.403275 136.884 65.579 136.885 -32.6966 GPRESSURE: 4579400 65.2562 199.076 -12.5547 179.394 2.11276 120.911 66.0534 201.866 7.72629 PRESSAVG: 4579400 11.7866 10.6018 24.8827 10.6017 -27.4106 3.05187 24.8826 3.05188 39.395 GPRESSAVG: 4579400 13.2046 7.27432 25.418 13.7628 -27.4946 2.96186 26.2122 3.91124 38.1742 TIMING: 4579400 CPU: 13255.7, 0.00289135/step Wall: 13255.7, 0.00289135/step, 0.337806 hours remaining, 212.929688 MB of memory in use. ENERGY: 4579400 771.3238 2065.5226 1933.1668 102.1524 -205949.3250 17857.2208 0.0000 0.0000 34319.7376 -148900.2009 299.7228 -183219.9385 -148805.1042 300.1901 -5.7983 25.0317 558025.3156 7.9237 7.9614 PRESSURE: 4579600 -255.416 -9.57779 -65.7802 -9.57899 -119.877 -25.1577 -65.7798 -25.1589 -222.01 GPRESSURE: 4579600 -212.52 -73.68 -133.44 -7.37004 -37.8873 -81.1098 -13.8684 -37.9083 -233.786 PRESSAVG: 4579600 7.12283 -31.6417 -17.0674 -31.6418 32.1842 -54.4296 -17.0674 -54.4297 -37.5254 GPRESSAVG: 4579600 6.45052 -30.988 -14.7323 -35.5238 33.0266 -52.3747 -17.9323 -55.2482 -37.6694 TIMING: 4579600 CPU: 13256.2, 0.00290067/step Wall: 13256.2, 0.00290067/step, 0.338734 hours remaining, 212.929688 MB of memory in use. ENERGY: 4579600 767.2604 2066.2950 1943.7795 100.5930 -205585.8926 17430.5523 0.0000 0.0000 34349.6405 -148927.7718 299.9840 -183277.4123 -148830.2432 299.6684 -199.1010 -161.3977 558341.5737 0.5939 0.6026 PRESSURE: 4579800 -67.4438 -31.1847 -2.82264 -31.1837 15.1408 66.6805 -2.821 66.68 123.468 GPRESSURE: 4579800 -18.8884 -36.8755 -20.4261 -35.359 54.3381 48.8917 55.8782 110.935 131.227 PRESSAVG: 4579800 -32.4735 11.504 -77.0564 11.504 -10.1064 10.5813 -77.0563 10.5812 -4.40559 GPRESSAVG: 4579800 -32.8802 12.4636 -77.7401 13.8833 -11.9422 8.11954 -77.8634 12.5396 -2.27148 TIMING: 4579800 CPU: 13256.8, 0.0028864/step Wall: 13256.8, 0.0028864/step, 0.336907 hours remaining, 212.929688 MB of memory in use. ENERGY: 4579800 731.1883 2079.2924 1957.2995 106.7068 -206017.9452 17811.6120 0.0000 0.0000 34501.6666 -148830.1796 301.3116 -183331.8462 -148737.1789 300.1433 23.7217 55.5589 558111.3378 -15.6619 -15.6980 PRESSURE: 4580000 -93.6684 70.525 -87.3358 70.5249 141.616 -227.38 -87.3363 -227.379 -25.227 GPRESSURE: 4580000 -63.9954 52.7139 -110.616 62.6574 152.292 -293.129 -75.7243 -237.949 34.7347 PRESSAVG: 4580000 8.02314 -13.6269 54.8931 -13.627 16.6177 -43.077 54.8932 -43.077 -35.8081 GPRESSAVG: 4580000 8.23428 -13.6965 52.9472 -14.2245 17.2281 -43.399 55.4377 -44.92 -36.2785 TIMING: 4580000 CPU: 13257.4, 0.0028856/step Wall: 13257.4, 0.0028856/step, 0.336653 hours remaining, 212.929688 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: 4580000 749.8985 2172.9064 1939.5843 108.1445 -205779.3006 17607.8205 0.0000 0.0000 34337.0754 -148863.8709 299.8742 -183200.9463 -148770.4903 299.5876 7.5735 41.0104 558716.5446 -3.7224 -3.6053 PRESSURE: 4580200 50.1821 274.603 -38.0327 274.604 -8.80217 -71.1291 -38.0321 -71.1309 -309.357 GPRESSURE: 4580200 44.3952 264.536 -64.4312 271.896 71.8122 -36.0875 -42.797 -127.368 -281.911 PRESSAVG: 4580200 -44.2648 -0.445773 -23.0983 -0.445734 22.841 -34.1637 -23.0984 -34.1636 43.1604 GPRESSAVG: 4580200 -43.7905 -0.162032 -21.0071 -0.591954 21.3264 -34.0257 -23.21 -34.7589 43.9922 TIMING: 4580200 CPU: 13258, 0.00289882/step Wall: 13258, 0.00289882/step, 0.338035 hours remaining, 212.929688 MB of memory in use. ENERGY: 4580200 752.0748 2112.9573 1954.5435 105.2440 -205548.4508 17564.7358 0.0000 0.0000 34250.6170 -148808.2782 299.1192 -183058.8953 -148716.6448 300.4419 -89.3258 -55.2345 559696.4946 7.2455 7.1761 LDB: ============= START OF LOAD BALANCING ============== 13261.4 LDB: ============== END OF LOAD BALANCING =============== 13261.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13261.4 LDB: ============= START OF LOAD BALANCING ============== 13261.6 LDB: Largest compute 4772 load 0.025383 is 21.5% of average load 0.117978 LDB: Average compute 0.001729 is 1.5% of average load 0.117978 LDB: TIME 13261.7 LOAD: AVG 0.117978 MAX 0.180109 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.48 MB LDB: TIME 13261.7 LOAD: AVG 0.117978 MAX 0.180109 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: TIME 13261.7 LOAD: AVG 0.117978 MAX 0.180109 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13261.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13261.7 PRESSURE: 4580400 -122.209 208.885 -13.7953 208.884 -185.353 156.619 -13.7958 156.618 -120.673 GPRESSURE: 4580400 -90.5785 199.946 -47.2222 180.225 -176.384 116.152 -34.4375 74.2977 -59.7209 PRESSAVG: 4580400 -29.3728 -1.84023 -9.65656 -1.84024 -86.3541 -58.5679 -9.65652 -58.5679 93.9133 GPRESSAVG: 4580400 -30.2806 -0.431969 -10.9137 -2.51109 -85.7791 -57.5509 -10.9436 -59.6103 93.8672 TIMING: 4580400 CPU: 13258.6, 0.00295794/step Wall: 13258.6, 0.00295794/step, 0.344764 hours remaining, 211.402344 MB of memory in use. ENERGY: 4580400 761.4745 2170.3509 1978.3841 109.8105 -205724.7102 17478.1184 0.0000 0.0000 34326.4835 -148900.0883 299.7817 -183226.5718 -148805.7653 300.4496 -142.7449 -108.8945 559726.0687 -7.2712 -7.3975 PRESSURE: 4580600 -136.593 62.7368 1.6515 62.737 -608.311 64.1628 1.65155 64.1638 54.9985 GPRESSURE: 4580600 -89.8059 65.0664 -70.1585 123.119 -522.209 83.6783 -5.70531 56.9315 20.7132 PRESSAVG: 4580600 -3.78443 -7.83487 3.29108 -7.83484 -40.0698 27.681 3.29106 27.6811 77.0401 GPRESSAVG: 4580600 -4.32065 -9.92975 4.40509 -7.94838 -38.8347 27.1726 3.04261 28.283 77.1315 TIMING: 4580600 CPU: 13259.1, 0.00287961/step Wall: 13259.1, 0.00287961/step, 0.335474 hours remaining, 211.582031 MB of memory in use. ENERGY: 4580600 762.2664 2087.5590 1953.7487 127.2109 -205673.9907 17437.7308 0.0000 0.0000 34322.9943 -148982.4806 299.7512 -183305.4749 -148883.8772 299.9642 -229.9687 -197.1004 559637.0068 11.0620 11.3254 PRESSURE: 4580800 76.8954 -101.178 -52.6066 -101.178 -41.4412 -104.762 -52.6078 -104.761 148.35 GPRESSURE: 4580800 111.478 -125.707 -199.318 -35.8423 9.09002 -124.94 104.734 -130.234 167.144 PRESSAVG: 4580800 13.1382 -33.0439 40.2489 -33.044 -33.8258 -35.4548 40.2489 -35.4547 27.6528 GPRESSAVG: 4580800 13.2165 -32.972 38.2253 -31.326 -33.3992 -34.3091 40.4732 -35.146 27.3555 TIMING: 4580800 CPU: 13259.7, 0.00288128/step Wall: 13259.7, 0.00288128/step, 0.335509 hours remaining, 211.582031 MB of memory in use. ENERGY: 4580800 719.6924 2065.5560 1962.0192 116.3856 -206395.4147 17944.6328 0.0000 0.0000 34695.3593 -148891.7695 303.0032 -183587.1288 -148794.4525 299.8791 61.2680 95.9041 557922.0510 2.3217 2.3909 PRESSURE: 4581000 388.669 90.2121 75.5687 90.2114 -228.691 32.4376 75.5681 32.4377 -157.247 GPRESSURE: 4581000 455.17 51.5228 136.124 99.3803 -141.775 126.829 100.321 -41.7182 -204.911 PRESSAVG: 4581000 122.917 34.3182 -48.5291 34.3181 -4.96403 -11.8209 -48.529 -11.8209 -110.278 GPRESSAVG: 4581000 123.77 32.5076 -46.8175 33.6011 -6.25373 -10.909 -47.433 -11.9422 -110.604 TIMING: 4581000 CPU: 13260.3, 0.00288929/step Wall: 13260.3, 0.00288929/step, 0.336282 hours remaining, 211.582031 MB of memory in use. ENERGY: 4581000 760.1413 2091.3619 1939.8664 98.5536 -205887.2578 17661.6255 0.0000 0.0000 34392.3539 -148943.3552 300.3570 -183335.7091 -148854.0060 300.6050 0.9104 36.1613 557077.9889 2.5583 2.3043 PRESSURE: 4581200 181.323 101.948 -32.049 101.949 187.894 3.40978 -32.0498 3.41082 263.552 GPRESSURE: 4581200 133.283 127.844 -64.4702 92.8734 252.544 47.2013 18.4049 -21.3435 348.198 PRESSAVG: 4581200 -12.4756 8.96585 -16.3896 8.96592 15.6619 22.6112 -16.3897 22.6113 2.54312 GPRESSAVG: 4581200 -14.353 10.6579 -14.5418 8.53487 16.6565 20.6682 -18.0094 23.2382 2.88587 TIMING: 4581200 CPU: 13260.9, 0.002891/step Wall: 13260.9, 0.002891/step, 0.336319 hours remaining, 211.582031 MB of memory in use. ENERGY: 4581200 733.0969 2096.3682 1955.9185 115.4157 -206108.1840 18042.7164 0.0000 0.0000 34114.6594 -149050.0090 297.9318 -183164.6683 -148954.2895 299.5834 210.9232 244.6748 557695.6520 1.9098 1.7298 PRESSURE: 4581400 -53.123 -24.5846 38.996 -24.585 -96.9726 -49.7424 38.9956 -49.7408 174.476 GPRESSURE: 4581400 -26.7923 17.5188 119.372 -34.266 -30.3048 -77.6039 58.5584 -79.3825 183.828 PRESSAVG: 4581400 2.12466 21.4159 7.9912 21.4159 -51.9218 6.36149 7.99122 6.36146 7.34191 GPRESSAVG: 4581400 2.32441 18.3895 7.32147 23.1635 -52.6734 7.01466 6.89807 6.40899 7.58942 TIMING: 4581400 CPU: 13261.4, 0.00289056/step Wall: 13261.4, 0.00289056/step, 0.336108 hours remaining, 211.582031 MB of memory in use. ENERGY: 4581400 730.2574 2163.9194 1945.2991 116.3558 -206251.5666 17777.7313 0.0000 0.0000 34432.8243 -149085.1793 300.7104 -183518.0036 -148995.5618 299.6889 8.1268 42.2437 558686.6648 -14.1517 -14.2532 PRESSURE: 4581600 -309.522 99.658 -157.778 99.6573 236.268 4.94271 -157.778 4.94127 268.611 GPRESSURE: 4581600 -250.126 155.098 -132.275 42.2512 227.959 77.369 -44.0398 -27.7742 310.665 PRESSAVG: 4581600 -31.9396 -16.416 -4.12221 -16.416 -0.489074 -27.2217 -4.1222 -27.2217 25.7432 GPRESSAVG: 4581600 -31.3759 -12.637 -4.28715 -20.1586 -0.385993 -25.2178 -3.72851 -29.1788 25.5551 TIMING: 4581600 CPU: 13262, 0.00287724/step Wall: 13262, 0.00287724/step, 0.334399 hours remaining, 211.582031 MB of memory in use. ENERGY: 4581600 739.6661 2081.1299 1950.3785 106.5500 -206160.0278 17819.0564 0.0000 0.0000 34361.7380 -149101.5088 300.0896 -183463.2468 -148995.8712 299.3970 65.1189 96.1657 557783.6373 -2.2285 -2.0689 PRESSURE: 4581800 -37.4193 27.5352 -8.13081 27.535 -54.253 -114.602 -8.13129 -114.6 -57.9262 GPRESSURE: 4581800 -32.6505 82.747 -52.7275 -37.9272 -45.5152 -41.0198 11.3286 -126.13 17.2008 PRESSAVG: 4581800 -9.07005 46.6898 -52.2206 46.6898 53.7118 17.004 -52.2206 17.0039 -14.3586 GPRESSAVG: 4581800 -8.82681 43.8273 -52.8945 50.3321 52.1595 16.2768 -50.1972 20.3759 -13.1903 TIMING: 4581800 CPU: 13262.6, 0.00288816/step Wall: 13262.6, 0.00288816/step, 0.335508 hours remaining, 211.582031 MB of memory in use. ENERGY: 4581800 763.7048 2097.6766 1957.8345 124.0258 -206191.2304 17786.1749 0.0000 0.0000 34365.4177 -149096.3961 300.1217 -183461.8137 -148995.3292 300.1648 -49.8661 -20.3216 558034.0047 10.0944 10.0475 PRESSURE: 4582000 131.519 2.8544 -111.157 2.85435 241.205 -40.4839 -111.157 -40.4851 298.406 GPRESSURE: 4582000 181.116 159.156 -138.668 -29.3923 249.701 -57.1775 -170.059 6.53719 324.506 PRESSAVG: 4582000 6.22716 37.1598 -63.404 37.1597 13.33 -22.3542 -63.404 -22.3543 3.14141 GPRESSAVG: 4582000 6.38408 38.283 -65.7275 36.6885 13.9841 -24.12 -62.8079 -24.401 2.49893 TIMING: 4582000 CPU: 13263.2, 0.00292491/step Wall: 13263.2, 0.00292491/step, 0.339614 hours remaining, 211.582031 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: 4582000 738.6823 2130.8958 1952.3566 121.0485 -206755.0759 18317.4008 0.0000 0.0000 34312.0642 -149182.6278 299.6558 -183494.6919 -149086.9728 299.8590 223.7100 251.7743 556667.6276 7.5662 7.6224 PRESSURE: 4582200 -124.61 57.6734 14.7592 57.6747 -133.844 226.093 14.7589 226.093 28.5593 GPRESSURE: 4582200 -40.6623 62.9744 -30.531 -45.3324 -115.449 162.177 72.2941 268.938 43.9389 PRESSAVG: 4582200 -18.1967 -32.5175 -5.03603 -32.5176 31.8927 -2.63189 -5.03615 -2.63192 3.7696 GPRESSAVG: 4582200 -17.1782 -31.0449 -3.59815 -33.0919 32.436 -1.57994 -4.99596 -4.08967 2.92473 TIMING: 4582200 CPU: 13263.8, 0.00287328/step Wall: 13263.8, 0.00287328/step, 0.333461 hours remaining, 211.582031 MB of memory in use. ENERGY: 4582200 751.1762 2091.5574 1977.7722 118.4263 -206074.2699 17661.7653 0.0000 0.0000 34283.3220 -149190.2505 299.4048 -183473.5725 -149092.8617 299.2603 -76.6314 -37.3909 557227.3038 5.8219 6.0609 PRESSURE: 4582400 -103.318 88.3827 -108.213 88.3815 -299.574 94.2516 -108.212 94.2541 -167.374 GPRESSURE: 4582400 -55.0641 118.646 -70.2817 141.472 -276.984 176.078 -105.415 64.4071 -135.15 PRESSAVG: 4582400 -79.1626 -32.2952 -13.071 -32.2953 56.0497 7.72204 -13.0709 7.72206 -9.05166 GPRESSAVG: 4582400 -78.5779 -34.5862 -14.3552 -31.6455 53.9116 7.75837 -13.8121 10.3023 -7.58724 TIMING: 4582400 CPU: 13264.3, 0.00289868/step Wall: 13264.3, 0.00289868/step, 0.336246 hours remaining, 211.582031 MB of memory in use. ENERGY: 4582400 710.7247 2101.7945 1956.5587 120.0386 -205700.2136 17382.8236 0.0000 0.0000 34359.1467 -149069.1267 300.0670 -183428.2734 -148977.6305 299.3897 -190.0891 -155.7327 555862.6262 -10.7215 -10.7512 PRESSURE: 4582600 -79.5556 12.6904 96.4376 12.6891 -164.14 170.745 96.4378 170.745 -242.497 GPRESSURE: 4582600 -100.601 -29.6555 110.495 35.1447 -82.9836 174.596 35.1902 210.062 -183.662 PRESSAVG: 4582600 52.1043 14.9591 -3.16536 14.9591 -65.6915 38.9265 -3.16544 38.9264 5.02176 GPRESSAVG: 4582600 50.741 14.041 -3.11312 16.4985 -63.7873 38.0576 -4.25641 39.1135 4.81678 TIMING: 4582600 CPU: 13264.9, 0.0028899/step Wall: 13264.9, 0.0028899/step, 0.335068 hours remaining, 211.582031 MB of memory in use. ENERGY: 4582600 771.3326 2086.6170 1961.2404 113.9420 -205983.6688 17703.1233 0.0000 0.0000 34110.5608 -149236.8528 297.8960 -183347.4135 -149135.7492 298.8413 -162.0642 -122.4154 557770.6572 -2.8552 -2.7432 PRESSURE: 4582800 -121.265 -91.1913 170.699 -91.19 -22.9218 101.821 170.7 101.822 267.232 GPRESSURE: 4582800 -42.754 -52.1902 224.294 -112.19 1.05826 55.0561 105.762 64.489 263.313 PRESSAVG: 4582800 -17.234 40.7663 79.2007 40.7663 63.4803 55.6666 79.2007 55.6665 -42.7004 GPRESSAVG: 4582800 -17.8044 40.7258 79.8466 38.1914 62.8316 54.8682 79.4223 54.9183 -41.629 TIMING: 4582800 CPU: 13265.5, 0.00290771/step Wall: 13265.5, 0.00290771/step, 0.336972 hours remaining, 211.582031 MB of memory in use. ENERGY: 4582800 759.0325 2127.5641 1920.2226 122.1224 -206256.2611 17901.1280 0.0000 0.0000 34068.4806 -149357.7109 297.5285 -183426.1915 -149269.4524 298.5577 41.0152 73.8725 556404.2448 1.1820 1.1327 PRESSURE: 4583000 -141.418 20.9819 -76.4587 20.9813 -275.187 56.6622 -76.4601 56.6619 -306.353 GPRESSURE: 4583000 -62.5921 66.2729 -165.857 -17.898 -279.736 60.7791 -73.8966 109.062 -282.911 PRESSAVG: 4583000 -56.4725 19.1298 -9.76435 19.1298 36.9087 -31.3916 -9.76432 -31.3916 7.7093 GPRESSAVG: 4583000 -55.7239 18.2234 -10.0436 20.7414 37.1401 -28.5618 -11.7455 -32.9448 6.96043 TIMING: 4583000 CPU: 13266.1, 0.00290395/step Wall: 13266.1, 0.00290395/step, 0.336375 hours remaining, 211.582031 MB of memory in use. ENERGY: 4583000 810.5134 2088.5220 1931.6697 114.6281 -206282.9848 17708.0454 0.0000 0.0000 34311.2219 -149318.3843 299.6484 -183629.6061 -149221.3997 299.2009 -240.9858 -208.4130 556715.8722 -3.9515 -3.8745 PRESSURE: 4583200 -23.1679 8.49043 -19.0066 8.49034 -65.22 -111.888 -19.0064 -111.889 -21.8089 GPRESSURE: 4583200 54.6183 -36.4115 24.6685 15.2991 -64.0087 -145.915 5.68148 -72.3346 -1.73486 PRESSAVG: 4583200 28.3995 17.4775 2.7517 17.4776 2.05953 -19.9913 2.75166 -19.9913 -38.8873 GPRESSAVG: 4583200 29.1008 18.2513 1.66262 17.3503 2.26083 -19.35 5.02307 -20.7745 -39.7248 TIMING: 4583200 CPU: 13266.7, 0.00290468/step Wall: 13266.7, 0.00290468/step, 0.336298 hours remaining, 211.582031 MB of memory in use. ENERGY: 4583200 750.5867 2098.4608 1955.7449 115.1051 -205934.0092 17631.9705 0.0000 0.0000 34112.9751 -149269.1661 297.9171 -183382.1412 -149170.7069 298.8600 -36.7323 -3.7084 556302.0719 -2.8094 -2.7877 PRESSURE: 4583400 123.07 -86.6194 162.804 -86.6192 63.1656 -268.997 162.804 -268.998 29.2104 GPRESSURE: 4583400 219.304 -33.5346 117.215 -56.2916 57.4557 -216.62 73.2555 -284.319 40.934 PRESSAVG: 4583400 32.596 13.0675 24.3974 13.0675 -68.4658 -20.2598 24.3975 -20.2597 9.10806 GPRESSAVG: 4583400 32.366 14.7954 25.6892 12.5385 -68.6248 -22.1138 24.3958 -18.6095 9.77606 TIMING: 4583400 CPU: 13267.2, 0.00289585/step Wall: 13267.2, 0.00289585/step, 0.335115 hours remaining, 211.582031 MB of memory in use. ENERGY: 4583400 750.8985 2053.2711 1984.3583 123.9562 -206220.6428 17821.4346 0.0000 0.0000 34174.9741 -149311.7500 298.4585 -183486.7241 -149219.6370 298.7821 71.8152 105.8981 556859.8257 -8.9206 -8.8276 PRESSURE: 4583600 -194.25 84.816 -108.045 84.815 -196.224 -108.137 -108.047 -108.136 76.4126 GPRESSURE: 4583600 -96.4619 19.9272 -84.7375 57.0104 -123.83 -129.519 -27.7382 -89.8766 13.5618 PRESSAVG: 4583600 -7.30237 -38.1098 42.0424 -38.1098 -38.5575 1.07479 42.0424 1.07486 28.8429 GPRESSAVG: 4583600 -7.29444 -38.8154 41.8888 -40.6094 -37.8104 1.41751 42.4544 1.26923 28.3225 TIMING: 4583600 CPU: 13267.8, 0.00289453/step Wall: 13267.8, 0.00289453/step, 0.3348 hours remaining, 211.582031 MB of memory in use. ENERGY: 4583600 732.4870 2051.5907 1946.8895 112.8072 -206122.3931 17638.8806 0.0000 0.0000 34252.6437 -149387.0943 299.1369 -183639.7381 -149282.0674 299.7265 -104.6872 -68.9099 555923.5768 -5.6724 -5.5941 PRESSURE: 4583800 25.8863 -47.3005 35.7964 -47.3002 67.6268 -108.047 35.7969 -108.049 -74.1775 GPRESSURE: 4583800 45.5709 26.1757 139.783 -55.8875 113.157 -57.866 -29.821 -91.298 -26.5112 PRESSAVG: 4583800 14.3524 -3.71024 42.364 -3.71029 5.05016 12.9642 42.364 12.964 18.136 GPRESSAVG: 4583800 13.9527 -2.86496 41.2058 -2.32345 3.89632 14.1632 43.9184 12.5818 19.8212 TIMING: 4583800 CPU: 13268.4, 0.00288271/step Wall: 13268.4, 0.00288271/step, 0.333273 hours remaining, 211.582031 MB of memory in use. ENERGY: 4583800 749.6362 2080.2369 1953.8953 105.3864 -206144.9046 17835.1893 0.0000 0.0000 34289.5797 -149130.9808 299.4594 -183420.5605 -149031.1876 298.8104 6.4452 44.0724 556525.7980 12.5128 12.5567 PRESSURE: 4584000 21.1118 -59.5469 -59.6128 -59.5462 -131.434 23.4662 -59.613 23.4664 202.626 GPRESSURE: 4584000 61.4295 -18.9716 -122.958 6.7271 -101.166 -43.1952 -55.3195 70.2511 231.084 PRESSAVG: 4584000 -38.7637 11.1602 -18.4512 11.1602 18.1514 26.1274 -18.4512 26.1274 -0.515414 GPRESSAVG: 4584000 -37.9663 10.0567 -17.1542 10.6654 18.4739 25.5621 -20.2108 26.1603 -1.54196 TIMING: 4584000 CPU: 13269, 0.00288855/step Wall: 13269, 0.00288855/step, 0.333788 hours remaining, 211.582031 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: 4584000 695.5472 2079.1032 1952.9337 115.4561 -206162.2052 17807.9531 0.0000 0.0000 34307.4494 -149203.7625 299.6155 -183511.2119 -149106.2737 299.2227 30.7679 63.7822 556969.6372 -7.0426 -7.0115 PRESSURE: 4584200 -145.784 -12.118 -96.7712 -12.1183 376.636 31.5711 -96.7728 31.5722 104.288 GPRESSURE: 4584200 -79.6207 3.31818 -26.2007 -55.7802 389.266 -65.994 -129.997 66.3358 126.599 PRESSAVG: 4584200 -58.7343 -2.13631 55.859 -2.13641 -14.7727 -34.8575 55.859 -34.8574 21.7899 GPRESSAVG: 4584200 -59.044 -0.767624 56.9362 -2.90524 -14.5472 -33.3251 54.5589 -35.4435 21.358 TIMING: 4584200 CPU: 13269.6, 0.00289793/step Wall: 13269.6, 0.00289793/step, 0.334711 hours remaining, 211.582031 MB of memory in use. ENERGY: 4584200 768.2312 2014.6725 1959.2759 106.0892 -206273.4247 17879.4329 0.0000 0.0000 34318.2642 -149227.4587 299.7099 -183545.7230 -149126.3183 299.6977 111.7133 145.4145 555719.6874 -17.2391 -17.4111 LDB: ============= START OF LOAD BALANCING ============== 13272.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13272.9 LDB: =============== DONE WITH MIGRATION ================ 13272.9 LDB: ============= START OF LOAD BALANCING ============== 13273.2 LDB: Largest compute 4799 load 0.025958 is 22.0% of average load 0.118025 LDB: Average compute 0.001729 is 1.5% of average load 0.118025 LDB: TIME 13273.2 LOAD: AVG 0.118025 MAX 0.180473 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.68 MB LDB: TIME 13273.2 LOAD: AVG 0.118025 MAX 0.180473 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.68 MB LDB: TIME 13273.2 LOAD: AVG 0.118025 MAX 0.180473 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.68 MB LDB: ============== END OF LOAD BALANCING =============== 13273.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13273.2 PRESSURE: 4584400 -92.2296 208.895 -211.356 208.893 190.177 -180.106 -211.358 -180.105 -49.7996 GPRESSURE: 4584400 -60.7057 243.136 -180.791 195.98 219.701 -192.487 -140.644 -139.868 -20.7272 PRESSAVG: 4584400 -6.46405 31.5074 28.2132 31.5074 2.82933 -33.0879 28.2133 -33.088 20.8098 GPRESSAVG: 4584400 -6.11775 29.4047 26.0358 33.018 1.12503 -33.8156 31.0112 -32.5661 21.7816 TIMING: 4584400 CPU: 13270.1, 0.00296015/step Wall: 13270.1, 0.00296015/step, 0.341733 hours remaining, 210.355469 MB of memory in use. ENERGY: 4584400 747.8480 2060.0636 1931.9955 118.2976 -206142.0627 17779.0535 0.0000 0.0000 34248.0721 -149256.7323 299.0969 -183504.8044 -149157.7722 299.1429 16.0492 46.0893 556782.3433 5.7250 5.5963 PRESSURE: 4584600 108.6 -125.261 74.101 -125.26 -231.287 11.4495 74.1008 11.451 -79.857 GPRESSURE: 4584600 95.3518 -114.082 30.5882 -106.298 -194.495 25.0668 67.9598 65.5077 -23.7939 PRESSAVG: 4584600 57.6084 -12.0399 -24.8284 -12.0399 -47.0643 -21.1004 -24.8284 -21.1005 -60.3156 GPRESSAVG: 4584600 57.1979 -12.0784 -25.4426 -10.7663 -47.0608 -22.6617 -25.4912 -21.56 -60.4711 TIMING: 4584600 CPU: 13270.7, 0.0028938/step Wall: 13270.7, 0.0028938/step, 0.333913 hours remaining, 210.355469 MB of memory in use. ENERGY: 4584600 800.8645 2056.0597 1954.9370 124.7443 -206066.1652 17700.9096 0.0000 0.0000 34383.7997 -149044.8503 300.2823 -183428.6501 -148953.4592 299.4674 -67.5145 -40.9789 558498.7793 -16.5905 -16.7780 PRESSURE: 4584800 142.329 29.3386 -23.8332 29.3387 -125.054 37.9937 -23.8337 37.9936 0.453618 GPRESSURE: 4584800 164.188 -23.404 20.7308 83.1138 -49.8053 72.9571 -55.3717 1.92533 13.4594 PRESSAVG: 4584800 51.1392 0.871795 3.99787 0.87182 -8.06764 -33.1152 3.99801 -33.1151 12.1857 GPRESSAVG: 4584800 52.2172 1.37294 5.60066 -1.71969 -7.96513 -32.6214 4.64011 -32.8988 11.1737 TIMING: 4584800 CPU: 13271.3, 0.00288765/step Wall: 13271.3, 0.00288765/step, 0.333042 hours remaining, 210.355469 MB of memory in use. ENERGY: 4584800 759.2455 2092.4304 1966.1034 118.5235 -206554.6883 18073.2556 0.0000 0.0000 34582.5374 -148962.5926 302.0179 -183545.1299 -148861.6437 300.0225 5.9096 42.6140 557487.8488 18.4191 18.4753 PRESSURE: 4585000 -49.7493 151.996 180.904 151.996 -30.2291 -9.75688 180.901 -9.75892 -7.30165 GPRESSURE: 4585000 -5.07374 198.241 246.067 61.3697 3.93764 -104.866 140.036 -31.8409 14.1876 PRESSAVG: 4585000 4.16261 24.8055 1.47443 24.8056 -31.6172 -59.4067 1.47437 -59.4068 44.1757 GPRESSAVG: 4585000 4.03638 23.8641 2.26044 27.1966 -30.9315 -60.5399 0.0586853 -60.4759 44.2569 TIMING: 4585000 CPU: 13271.9, 0.00290272/step Wall: 13271.9, 0.00290272/step, 0.334619 hours remaining, 210.355469 MB of memory in use. ENERGY: 4585000 733.5622 2095.4140 1945.7730 113.3945 -205932.1324 17648.1264 0.0000 0.0000 34285.3003 -149110.5620 299.4221 -183395.8622 -149005.4343 300.0276 -29.0934 4.3505 558708.3174 5.5737 5.7873 PRESSURE: 4585200 103.714 141.849 -132.494 141.85 -11.8747 47.2928 -132.494 47.2942 42.3633 GPRESSURE: 4585200 96.7999 179.595 -201.42 93.6842 24.325 49.3824 -81.6211 58.1658 116.14 PRESSAVG: 4585200 42.119 -39.617 -0.63724 -39.617 -12.2068 -13.9773 -0.637106 -13.9773 -1.68071 GPRESSAVG: 4585200 41.3647 -38.4825 -3.60831 -42.6974 -12.092 -12.8127 1.70912 -13.8175 -1.82875 TIMING: 4585200 CPU: 13272.5, 0.00290023/step Wall: 13272.5, 0.00290023/step, 0.334171 hours remaining, 210.355469 MB of memory in use. ENERGY: 4585200 755.5569 2132.9365 1976.6643 120.1605 -206212.6399 17808.7451 0.0000 0.0000 34311.3065 -149107.2701 299.6492 -183418.5765 -149017.8172 299.3763 44.7343 79.0883 558793.5711 9.4105 9.1480 PRESSURE: 4585400 58.729 65.3508 16.7283 65.3498 14.3896 -65.7939 16.7271 -65.7956 78.7349 GPRESSURE: 4585400 107.433 82.46 -39.321 65.975 35.7482 -24.7109 92.6469 -126.912 118.929 PRESSAVG: 4585400 31.4627 -22.9722 0.511574 -22.9722 -59.1859 -18.6625 0.511598 -18.6624 19.6738 GPRESSAVG: 4585400 31.5903 -22.4721 3.73685 -23.7135 -58.6118 -19.5823 -2.62113 -17.6296 19.4064 TIMING: 4585400 CPU: 13273, 0.00290305/step Wall: 13273, 0.00290305/step, 0.334335 hours remaining, 210.355469 MB of memory in use. ENERGY: 4585400 746.8623 2081.9034 1945.6083 115.8063 -206091.0352 17737.0377 0.0000 0.0000 34349.1656 -149114.6516 299.9798 -183463.8172 -149029.7902 299.3893 50.6178 87.3701 557348.2806 -2.6831 -2.5384 PRESSURE: 4585600 89.2058 77.4043 52.8676 77.4027 76.1985 -49.6069 52.8676 -49.6069 248.607 GPRESSURE: 4585600 238.028 9.00435 42.6212 149.555 91.2806 -139.184 43.7352 -18.6003 184.982 PRESSAVG: 4585600 -29.7938 67.6693 8.88657 67.6694 36.4963 -10.9109 8.88654 -10.9109 -25.8017 GPRESSAVG: 4585600 -29.3389 67.2548 6.8358 70.817 34.4253 -11.7679 9.76771 -13.4471 -24.222 TIMING: 4585600 CPU: 13273.6, 0.00288908/step Wall: 13273.6, 0.00288908/step, 0.332565 hours remaining, 210.355469 MB of memory in use. ENERGY: 4585600 741.0185 2105.8629 1952.6156 127.3963 -206150.7971 17813.0382 0.0000 0.0000 34347.6395 -149063.2261 299.9665 -183410.8656 -148965.7695 299.8603 138.0037 171.4305 556757.4007 -6.3664 -6.3785 PRESSURE: 4585800 18.5259 -124.617 -119.602 -124.617 108.476 -189.479 -119.603 -189.479 218.431 GPRESSURE: 4585800 19.7405 -117.166 -10.1458 -123.226 153.318 -132.064 -117.688 -216.603 269.506 PRESSAVG: 4585800 4.86057 -11.0215 -17.3119 -11.0215 -19.7183 -37.1506 -17.312 -37.1506 -11.9233 GPRESSAVG: 4585800 4.64044 -13.4191 -15.697 -12.7993 -19.0123 -37.5302 -18.3646 -35.003 -12.5169 TIMING: 4585800 CPU: 13274.2, 0.00287943/step Wall: 13274.2, 0.00287943/step, 0.331294 hours remaining, 210.355469 MB of memory in use. ENERGY: 4585800 759.1061 2068.0389 1957.1450 140.3612 -205822.8209 17827.4005 0.0000 0.0000 34059.1697 -149011.5995 297.4472 -183070.7692 -148920.0160 299.6835 115.1442 147.5215 557358.5182 -8.9270 -8.9629 PRESSURE: 4586000 64.2677 45.2776 -300.256 45.277 57.347 36.6591 -300.256 36.6585 124.932 GPRESSURE: 4586000 109.504 113.385 -210.189 -18.6303 117.289 -5.2755 -416.586 19.1664 113.265 PRESSAVG: 4586000 69.0497 -30.3616 -38.5694 -30.3616 -1.20385 -17.6342 -38.5695 -17.6343 -54.5711 GPRESSAVG: 4586000 69.4186 -27.3695 -41.428 -31.2218 -0.931969 -16.0714 -34.7952 -18.6183 -54.8378 TIMING: 4586000 CPU: 13274.8, 0.00290307/step Wall: 13274.8, 0.00290307/step, 0.333853 hours remaining, 210.355469 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: 4586000 753.6672 2043.4002 1978.2754 136.9198 -206150.4605 17864.7483 0.0000 0.0000 34480.7408 -148892.7088 301.1289 -183373.4496 -148791.3140 299.7776 82.1823 113.3523 556894.3378 4.4249 4.5496 PRESSURE: 4586200 7.68206 92.7376 -82.8973 92.7368 100.755 -67.8841 -82.8973 -67.8838 244.404 GPRESSURE: 4586200 30.2676 96.6917 -133.129 86.6981 92.4468 -138.692 -115.242 -106.606 330.145 PRESSAVG: 4586200 15.1062 -24.3092 -91.2138 -24.309 -13.0985 -36.7535 -91.2138 -36.7535 22.8844 GPRESSAVG: 4586200 15.2572 -23.9103 -87.7207 -22.491 -13.1071 -37.617 -95.2173 -36.0522 22.6843 TIMING: 4586200 CPU: 13275.4, 0.00287913/step Wall: 13275.4, 0.00287913/step, 0.33094 hours remaining, 210.355469 MB of memory in use. ENERGY: 4586200 744.6878 2093.6250 1946.2844 114.9752 -206364.7568 17865.6307 0.0000 0.0000 34629.6479 -148969.9057 302.4293 -183599.5536 -148878.0968 300.4136 117.6140 150.9531 555978.9067 8.2974 8.2781 PRESSURE: 4586400 -171.628 62.9613 -39.1252 62.9604 271.813 -209.1 -39.1252 -209.099 112.839 GPRESSURE: 4586400 -92.5449 92.6348 2.32927 1.2987 289.406 -152.005 -100.884 -260.375 117.114 PRESSAVG: 4586400 -4.51019 -30.8861 -10.062 -30.8861 30.8773 -44.8613 -10.062 -44.8614 -51.2529 GPRESSAVG: 4586400 -3.9339 -31.1789 -12.2637 -31.8282 29.7759 -45.7607 -7.97151 -45.4869 -50.4799 TIMING: 4586400 CPU: 13275.9, 0.00288495/step Wall: 13275.9, 0.00288495/step, 0.331449 hours remaining, 210.355469 MB of memory in use. ENERGY: 4586400 751.8194 2045.3700 1942.4641 118.8323 -206334.7253 17979.2006 0.0000 0.0000 34220.3664 -149276.6724 298.8550 -183497.0388 -149174.5513 299.5534 71.0080 104.6582 557743.3787 -8.2953 -8.2127 PRESSURE: 4586600 -78.4173 -151.565 7.46303 -151.563 -61.8166 -161.784 7.46283 -161.784 173.878 GPRESSURE: 4586600 -68.0934 -160.916 25.6396 -123.742 -24.0423 -104.825 -9.05465 -170.158 219.105 PRESSAVG: 4586600 -23.788 -32.8243 -36.6024 -32.8244 4.15915 21.9458 -36.6024 21.9459 -13.9474 GPRESSAVG: 4586600 -25.2836 -33.3888 -36.0024 -35.3014 5.91077 22.9612 -37.5607 23.5977 -13.7627 TIMING: 4586600 CPU: 13276.5, 0.00290312/step Wall: 13276.5, 0.00290312/step, 0.333374 hours remaining, 210.355469 MB of memory in use. ENERGY: 4586600 746.5082 2051.6281 1919.2275 116.9657 -205966.8358 17673.0637 0.0000 0.0000 34314.0161 -149145.4266 299.6728 -183459.4427 -149042.9450 299.1449 11.2148 42.3230 556596.1513 -11.1921 -11.0452 PRESSURE: 4586800 -3.9361 47.8539 -40.9358 47.8536 -208.713 35.8926 -40.934 35.8922 -49.1893 GPRESSURE: 4586800 21.3506 159.256 -71.2993 -39.2475 -91.5418 98.2978 -57.8126 52.106 -79.9133 PRESSAVG: 4586800 -92.4204 -26.6129 -4.14934 -26.6128 -6.25054 -18.6165 -4.14937 -18.6164 72.2156 GPRESSAVG: 4586800 -91.5457 -27.8515 -3.73176 -23.1076 -6.78508 -18.7439 -2.28009 -18.0385 72.1011 TIMING: 4586800 CPU: 13277.1, 0.0029067/step Wall: 13277.1, 0.0029067/step, 0.333625 hours remaining, 210.355469 MB of memory in use. ENERGY: 4586800 756.0615 2092.1704 1945.9060 100.6486 -206053.4343 17746.1051 0.0000 0.0000 34116.6630 -149295.8798 297.9493 -183412.5428 -149197.0281 299.0496 -87.2795 -50.0348 558080.2794 -8.8184 -8.7432 PRESSURE: 4587000 -109.709 -39.5564 -21.1323 -39.5567 87.3358 90.8906 -21.133 90.8926 76.3269 GPRESSURE: 4587000 -41.3804 -90.5311 92.6203 -12.1725 120.695 3.48149 -44.1949 143.782 78.2301 PRESSAVG: 4587000 7.03044 57.8584 68.5888 57.8584 37.5644 -2.63389 68.5888 -2.63379 -22.9885 GPRESSAVG: 4587000 6.94265 58.5148 70.7299 55.0498 37.6297 -2.14873 63.9173 -4.14924 -23.3959 TIMING: 4587000 CPU: 13277.7, 0.00289983/step Wall: 13277.7, 0.00289983/step, 0.332675 hours remaining, 210.355469 MB of memory in use. ENERGY: 4587000 763.0005 2122.7183 1909.4302 101.3333 -206699.6323 17982.6848 0.0000 0.0000 34378.1862 -149442.2789 300.2333 -183820.4651 -149339.9644 299.4450 17.9844 52.5150 557471.5265 7.2021 7.0588 PRESSURE: 4587200 -256.491 -206.897 -129.921 -206.897 -43.8622 -1.86602 -129.921 -1.86445 -169.526 GPRESSURE: 4587200 -287.502 -210.444 -166.286 -94.0315 51.1023 -15.2804 -14.36 -25.6421 -131.49 PRESSAVG: 4587200 7.62705 -8.35641 46.3846 -8.3565 -24.7897 -20.6174 46.3846 -20.6175 26.484 GPRESSAVG: 4587200 6.99659 -8.4036 43.9851 -6.48318 -23.9624 -22.8694 50.5632 -20.6466 26.2772 TIMING: 4587200 CPU: 13278.3, 0.00288711/step Wall: 13278.3, 0.00288712/step, 0.331056 hours remaining, 210.355469 MB of memory in use. ENERGY: 4587200 775.4002 2084.5640 1934.4729 115.8571 -206459.9117 17837.8208 0.0000 0.0000 34167.2694 -149544.5273 298.3913 -183711.7967 -149444.7998 298.5548 -156.6264 -122.6296 557692.6202 3.1071 3.1038 PRESSURE: 4587400 155.21 54.5383 -55.2883 54.5371 121.137 -18.0376 -55.2882 -18.0382 210.85 GPRESSURE: 4587400 219.024 87.1702 -73.2912 22.267 174.284 159.492 -135.971 -160.545 182.029 PRESSAVG: 4587400 18.0568 -23.0605 1.87303 -23.0605 -22.9939 40.6014 1.87301 40.6013 48.935 GPRESSAVG: 4587400 18.5652 -23.3537 2.77074 -22.8956 -23.5253 41.7045 0.812528 41.9872 49.1509 TIMING: 4587400 CPU: 13278.8, 0.0028613/step Wall: 13278.8, 0.0028613/step, 0.327937 hours remaining, 210.355469 MB of memory in use. ENERGY: 4587400 761.9130 2104.3786 1938.6514 110.8648 -206492.3207 17975.3036 0.0000 0.0000 34152.0673 -149449.1421 298.2585 -183601.2094 -149355.4855 298.4119 162.3990 191.7791 556331.6351 14.6660 14.7303 PRESSURE: 4587600 95.001 58.0427 6.27188 58.041 -390.436 177.632 6.27176 177.63 -352.269 GPRESSURE: 4587600 58.607 159.156 -10.5264 54.6442 -310.144 122.632 -58.0196 86.5508 -300.955 PRESSAVG: 4587600 -33.785 -15.457 -4.53237 -15.4571 9.37569 12.0618 -4.53239 12.0617 -8.75497 GPRESSAVG: 4587600 -33.3223 -16.0273 -5.354 -14.9179 9.08662 13.2903 -4.60588 10 -8.51922 TIMING: 4587600 CPU: 13279.4, 0.0028716/step Wall: 13279.4, 0.0028716/step, 0.328958 hours remaining, 210.355469 MB of memory in use. ENERGY: 4587600 732.6797 2099.7427 1952.1836 113.2911 -205602.0433 17355.1502 0.0000 0.0000 34127.1198 -149221.8762 298.0406 -183348.9961 -149127.0121 298.9678 -215.9015 -184.1639 559815.2246 -11.0547 -10.9183 PRESSURE: 4587800 -95.2343 -177.622 -12.0808 -177.622 232.113 -11.1698 -12.0811 -11.1682 30.7212 GPRESSURE: 4587800 -66.1151 -139.554 97.785 -254.269 274.255 -33.2821 -89.2648 -51.3941 63.1281 PRESSAVG: 4587800 3.47633 -20.8568 17.9023 -20.8568 25.1303 -28.4786 17.9022 -28.4786 -32.7976 GPRESSAVG: 4587800 3.2883 -19.9293 17.9052 -21.0226 24.1759 -29.6164 17.7161 -28.0238 -31.7645 TIMING: 4587800 CPU: 13280, 0.00288067/step Wall: 13280, 0.00288067/step, 0.329837 hours remaining, 210.355469 MB of memory in use. ENERGY: 4587800 744.5275 2099.1312 1912.0519 107.0247 -206566.5015 17963.9327 0.0000 0.0000 34462.0373 -149277.7962 300.9655 -183739.8335 -149185.2805 299.1794 55.8668 90.4228 557597.8677 -1.3970 -1.4334 PRESSURE: 4588000 -95.1933 111.905 -55.5174 111.905 -196.763 -134.349 -55.517 -134.35 -82.9311 GPRESSURE: 4588000 -99.8983 115.782 -12.3179 81.1602 -106.178 -121.575 -66.9926 -181.434 -73.4797 PRESSAVG: 4588000 -111.395 -63.5245 -11.266 -63.5245 129.975 -25.8201 -11.2659 -25.8201 -3.03193 GPRESSAVG: 4588000 -111.982 -63.6731 -11.7829 -64.0524 130.434 -25.6387 -10.4824 -24.3665 -3.63247 TIMING: 4588000 CPU: 13280.5, 0.00288083/step Wall: 13280.5, 0.00288083/step, 0.329696 hours remaining, 210.355469 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: 4588000 778.0674 2038.6761 1943.6510 121.2342 -206082.1597 17568.6713 0.0000 0.0000 34142.9578 -149488.9020 298.1789 -183631.8598 -149390.9632 298.5329 -124.9624 -93.1853 557855.1690 5.1826 4.9395 PRESSURE: 4588200 -265.828 141.197 -9.10269 141.199 -316.184 132.752 -9.10175 132.752 -109.402 GPRESSURE: 4588200 -173.559 108.574 51.2791 224.905 -291.73 91.4323 -81.1286 117.874 -127.487 PRESSAVG: 4588200 -64.5679 -58.6342 -4.12466 -58.6343 80.766 -1.2276 -4.12469 -1.22757 -23.3241 GPRESSAVG: 4588200 -63.941 -58.7881 -3.98079 -58.5011 81.3036 -2.00784 -5.27679 0.372524 -24.328 TIMING: 4588200 CPU: 13281.1, 0.00289065/step Wall: 13281.1, 0.00289065/step, 0.330658 hours remaining, 210.355469 MB of memory in use. ENERGY: 4588200 741.5005 2069.2689 1942.4925 115.0984 -206149.4322 17510.4028 0.0000 0.0000 34221.3260 -149549.3432 298.8634 -183770.6692 -149456.5060 297.9256 -230.4713 -197.5922 557700.1062 -2.3753 -2.3218 LDB: ============= START OF LOAD BALANCING ============== 13284.5 LDB: ============== END OF LOAD BALANCING =============== 13284.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13284.5 LDB: ============= START OF LOAD BALANCING ============== 13284.8 LDB: Largest compute 4773 load 0.026108 is 22.1% of average load 0.118007 LDB: Average compute 0.001732 is 1.5% of average load 0.118007 LDB: TIME 13284.8 LOAD: AVG 0.118007 MAX 0.178499 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.637 MB LDB: TIME 13284.8 LOAD: AVG 0.118007 MAX 0.178499 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.707 MB LDB: TIME 13284.8 LOAD: AVG 0.118007 MAX 0.178499 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.707 MB LDB: ============== END OF LOAD BALANCING =============== 13284.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13284.8 PRESSURE: 4588400 -133.645 136.899 12.9711 136.899 -302.437 -86.209 12.9716 -86.2091 -119.249 GPRESSURE: 4588400 -151.706 51.3775 3.59521 163.565 -264.665 -112.732 45.6274 -90.3774 -34.3489 PRESSAVG: 4588400 -10.6754 -20.7003 29.631 -20.7004 18.8897 -6.35859 29.631 -6.35855 -7.95759 GPRESSAVG: 4588400 -10.3712 -19.3244 29.1025 -22.5651 18.8325 -5.68676 31.9203 -8.37309 -8.41243 TIMING: 4588400 CPU: 13281.7, 0.00296253/step Wall: 13281.7, 0.00296253/step, 0.338716 hours remaining, 211.183594 MB of memory in use. ENERGY: 4588400 730.4289 2060.2415 1949.2088 122.5473 -206063.5386 17603.1548 0.0000 0.0000 34137.4652 -149460.4921 298.1310 -183597.9573 -149370.1154 298.8464 -185.1103 -150.2401 558849.1227 0.0856 0.0163 PRESSURE: 4588600 -283.344 80.2085 -12.6524 80.2092 37.9566 -198.709 -12.6515 -198.707 136.741 GPRESSURE: 4588600 -218.815 -0.333938 -24.1384 227.235 80.7888 -175.876 -0.996118 -216.55 116.525 PRESSAVG: 4588600 -19.5975 -19.686 27.5208 -19.6861 19.5494 -16.7969 27.5208 -16.7969 42.5299 GPRESSAVG: 4588600 -19.3782 -22.4561 27.0774 -16.3534 18.922 -17.4161 27.2195 -17.6231 42.8759 TIMING: 4588600 CPU: 13282.3, 0.00291125/step Wall: 13282.3, 0.00291125/step, 0.332691 hours remaining, 211.382812 MB of memory in use. ENERGY: 4588600 721.8156 2051.5972 1972.4997 125.0158 -206202.1310 17712.8691 0.0000 0.0000 34324.5291 -149293.8046 299.7646 -183618.3337 -149202.9291 298.5337 -36.2153 -7.1669 557544.4155 14.1606 14.1399 PRESSURE: 4588800 32.2414 -138.808 -6.92828 -138.807 64.5156 -17.4985 -6.92802 -17.4984 266.495 GPRESSURE: 4588800 58.9827 -139.016 49.8283 -124.522 148.024 -6.72265 -10.6727 -21.1302 242.805 PRESSAVG: 4588800 -36.6701 -31.4415 29.0651 -31.4414 -5.99619 -10.7296 29.0652 -10.7295 57.36 GPRESSAVG: 4588800 -37.1267 -31.4287 30.6136 -32.8755 -4.9474 -8.95508 26.9285 -10.3291 56.1899 TIMING: 4588800 CPU: 13282.9, 0.00291456/step Wall: 13282.9, 0.00291456/step, 0.332907 hours remaining, 211.382812 MB of memory in use. ENERGY: 4588800 737.1299 2064.2819 1933.7172 111.4250 -206371.6974 17901.6768 0.0000 0.0000 34163.1172 -149460.3493 298.3550 -183623.4666 -149363.8312 298.5417 121.0841 149.9374 557320.1703 4.8979 4.7053 PRESSURE: 4589000 -259.979 87.681 133.599 87.6811 22.2803 121.518 133.6 121.517 -193.152 GPRESSURE: 4589000 -155.744 50.7922 82.9373 93.7491 -23.4536 84.5063 224.726 104.319 -146.05 PRESSAVG: 4589000 7.01959 -35.2421 4.79096 -35.2421 2.29899 18.9848 4.79089 18.9848 -16.3092 GPRESSAVG: 4589000 6.97472 -33.6902 5.05601 -36.2764 0.628441 15.6205 5.22541 21.5322 -14.1856 TIMING: 4589000 CPU: 13283.5, 0.00290282/step Wall: 13283.5, 0.00290282/step, 0.331406 hours remaining, 211.382812 MB of memory in use. ENERGY: 4589000 776.0969 2084.0359 1921.9546 108.9238 -206366.6127 17775.4306 0.0000 0.0000 34330.5552 -149369.6159 299.8173 -183700.1711 -149268.0815 298.6800 -143.6170 -108.4158 556994.5131 -2.3302 -2.1941 PRESSURE: 4589200 -78.2073 -46.0997 92.6594 -46.1007 -186.124 41.7132 92.6585 41.7141 -108.983 GPRESSURE: 4589200 -46.8219 -68.2443 119.36 35.1256 -181.858 47.0201 94.649 76.1407 -56.2547 PRESSAVG: 4589200 18.1459 28.4334 -45.0459 28.4335 25.8892 -15.8164 -45.046 -15.8164 19.459 GPRESSAVG: 4589200 18.0433 28.275 -45.1776 27.1374 28.6594 -12.558 -46.2196 -19.1309 16.9832 TIMING: 4589200 CPU: 13284, 0.00286699/step Wall: 13284, 0.00286699/step, 0.327156 hours remaining, 211.382812 MB of memory in use. ENERGY: 4589200 718.1851 2092.3949 1951.0579 125.6374 -206288.8756 17701.1099 0.0000 0.0000 34361.3457 -149339.1447 300.0862 -183700.4904 -149237.9327 299.4833 -124.4381 -94.9783 558037.0885 21.1647 21.2286 PRESSURE: 4589400 -210.212 -164.58 -161.107 -164.581 -14.9084 29.9187 -161.106 29.9175 -137.057 GPRESSURE: 4589400 -158.457 -123.233 -65.7362 -197.978 8.04298 12.6272 -142.552 33.3986 -110.244 PRESSAVG: 4589400 -13.8316 -5.61083 6.92865 -5.61076 -32.074 3.30073 6.92858 3.30075 25.1587 GPRESSAVG: 4589400 -13.8843 -5.08417 4.67004 -1.7067 -33.3106 1.91691 9.64347 4.80174 26.34 TIMING: 4589400 CPU: 13284.6, 0.00286537/step Wall: 13284.6, 0.00286538/step, 0.326812 hours remaining, 211.382812 MB of memory in use. ENERGY: 4589400 742.5524 2053.6257 1952.7627 108.2707 -205886.7247 17620.7967 0.0000 0.0000 34139.5691 -149269.1476 298.1493 -183408.7166 -149171.5473 299.6718 -120.7260 -86.8857 557617.2186 -6.9157 -6.9516 PRESSURE: 4589600 104.289 -214.424 -180.576 -214.424 209.103 -130.892 -180.576 -130.892 45.4583 GPRESSURE: 4589600 81.964 -235.026 -76.7078 -246.226 227.143 -111.79 -137.231 -129.765 137.291 PRESSAVG: 4589600 20.4694 -45.9629 -3.3729 -45.963 10.1237 1.86909 -3.37296 1.86904 13.5994 GPRESSAVG: 4589600 21.7757 -46.3289 -1.33797 -47.3356 8.84616 3.72834 -3.92952 1.51859 13.5883 TIMING: 4589600 CPU: 13285.2, 0.00287671/step Wall: 13285.2, 0.00287671/step, 0.327945 hours remaining, 211.382812 MB of memory in use. ENERGY: 4589600 715.3684 2031.8418 1936.9677 116.0500 -206119.1070 17860.4399 0.0000 0.0000 34259.7540 -149198.6851 299.1990 -183458.4391 -149097.0584 299.0251 119.6166 148.7992 557116.0150 14.7308 14.7367 PRESSURE: 4589800 -187.02 -57.5234 -207.897 -57.5226 135.67 -142.818 -207.897 -142.819 26.1061 GPRESSURE: 4589800 -189.742 -86.3576 -248.051 -31.889 207.302 -165.937 -195.758 -134.334 42.439 PRESSAVG: 4589800 21.8579 1.30198 -50.9257 1.30195 12.621 -20.097 -50.9257 -20.097 -24.5397 GPRESSAVG: 4589800 20.9306 3.62144 -50.5075 0.52687 14.8678 -21.9425 -51.6007 -18.802 -25.3535 TIMING: 4589800 CPU: 13285.8, 0.0028557/step Wall: 13285.8, 0.0028557/step, 0.325391 hours remaining, 211.382812 MB of memory in use. ENERGY: 4589800 743.2993 2092.8089 1935.8572 108.4347 -206182.8436 17831.1499 0.0000 0.0000 34295.9406 -149175.3530 299.5150 -183471.2936 -149073.3080 299.2266 -8.4148 19.9998 557062.8349 3.3131 3.4817 PRESSURE: 4590000 -198.633 -64.8942 -39.7805 -64.8938 15.8533 -6.94245 -39.7805 -6.94179 -228.054 GPRESSURE: 4590000 -121.866 -143.872 -96.9334 -121.151 12.2149 20.0528 -52.1277 -63.6486 -208.339 PRESSAVG: 4590000 23.7801 -62.8675 -49.6029 -62.8675 -19.8772 -11.881 -49.6029 -11.881 -26.374 GPRESSAVG: 4590000 23.7249 -63.9993 -48.7928 -63.8278 -20.0757 -10.4717 -50.093 -14.0312 -26.0144 TIMING: 4590000 CPU: 13286.3, 0.00290656/step Wall: 13286.3, 0.00290656/step, 0.331024 hours remaining, 211.382812 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: 4590000 735.2310 2117.4658 1927.7186 106.2335 -206180.5322 17676.2755 0.0000 0.0000 34341.1246 -149276.4833 299.9096 -183617.6079 -149181.6982 299.4265 -136.9447 -105.9968 558140.2681 -7.4903 -7.4551 PRESSURE: 4590200 -293.446 -5.37689 62.363 -5.37656 -197.027 90.4751 62.3639 90.4752 -83.2553 GPRESSURE: 4590200 -289.162 -79.6308 105.933 -25.7732 -181.967 58.6586 -49.4815 154.789 -5.74515 PRESSAVG: 4590200 -89.4437 -51.116 -2.63369 -51.1159 4.25406 -47.0434 -2.63363 -47.0435 51.66 GPRESSAVG: 4590200 -89.6676 -52.3719 -3.7098 -49.9084 4.62084 -48.1431 -1.66742 -46.3287 51.8839 TIMING: 4590200 CPU: 13286.9, 0.00288839/step Wall: 13286.9, 0.00288839/step, 0.328795 hours remaining, 211.382812 MB of memory in use. ENERGY: 4590200 774.0934 2125.5286 1922.9873 102.5988 -206050.4989 17600.3220 0.0000 0.0000 34411.2419 -149113.7270 300.5219 -183524.9689 -149009.3225 300.0208 -191.2428 -158.9580 558912.9920 -11.1765 -11.0543 PRESSURE: 4590400 -457.758 -246.203 -62.0375 -246.203 107.358 164.523 -62.0381 164.523 -51.7472 GPRESSURE: 4590400 -429.603 -215.893 -4.15157 -132.088 146.713 215.325 -112.08 31.9629 -29.525 PRESSAVG: 4590400 -24.2096 -5.93727 3.69447 -5.93726 73.9256 20.0715 3.69446 20.0716 -1.71188 GPRESSAVG: 4590400 -23.3462 -4.34467 3.85539 -5.13218 73.7225 21.0775 3.19126 19.8751 -2.8802 TIMING: 4590400 CPU: 13287.5, 0.0028865/step Wall: 13287.5, 0.0028865/step, 0.328419 hours remaining, 211.382812 MB of memory in use. ENERGY: 4590400 741.9279 2076.5127 1951.8265 120.4987 -205940.5029 17508.4991 0.0000 0.0000 34384.6822 -149156.5558 300.2900 -183541.2380 -149062.3295 299.7471 -134.0489 -104.1382 557329.4041 16.0014 15.8320 PRESSURE: 4590600 -61.2276 -172.02 -76.6979 -172.018 -222.639 -19.8156 -76.698 -19.8156 -158.215 GPRESSURE: 4590600 -73.6559 -144.001 -65.1029 -175.397 -137.925 -4.16155 -29.9163 -15.0024 -140.621 PRESSAVG: 4590600 -6.70813 -9.69223 -4.32305 -9.69216 4.82514 -9.17954 -4.32301 -9.17949 37.541 GPRESSAVG: 4590600 -6.37199 -10.4753 -5.36362 -9.87603 4.99185 -9.40555 -3.51982 -8.6068 37.5576 TIMING: 4590600 CPU: 13288.1, 0.00290735/step Wall: 13288.1, 0.00290735/step, 0.33063 hours remaining, 211.382812 MB of memory in use. ENERGY: 4590600 789.1569 2088.8847 1918.7524 109.8412 -205886.4306 17520.0022 0.0000 0.0000 34299.0918 -149160.7014 299.5425 -183459.7932 -149068.3087 300.2364 -147.3607 -117.4006 557009.8813 11.8860 12.0592 PRESSURE: 4590800 -155.154 -82.3277 22.6206 -82.3275 -200.833 -173.209 22.6203 -173.207 211.187 GPRESSURE: 4590800 -141.977 22.9572 -55.2372 -130.586 -180.085 -137.294 -7.68612 -190.635 282.384 PRESSAVG: 4590800 1.44117 18.4837 3.22748 18.4838 -74.0611 1.25566 3.22754 1.25563 59.651 GPRESSAVG: 4590800 0.911701 16.7406 4.04813 21.0258 -73.3297 0.783103 2.52227 1.66535 59.7834 TIMING: 4590800 CPU: 13288.7, 0.00288233/step Wall: 13288.7, 0.00288233/step, 0.327625 hours remaining, 211.382812 MB of memory in use. ENERGY: 4590800 735.4107 2092.4752 1943.9904 112.4786 -205826.5772 17691.5588 0.0000 0.0000 34269.8262 -148980.8372 299.2869 -183250.6635 -148882.2364 299.6586 -48.2667 -13.2262 557865.0310 -4.3230 -4.2115 PRESSURE: 4591000 -317.017 -24.5607 23.7563 -24.5604 62.5992 19.2544 23.757 19.2524 -211.977 GPRESSURE: 4591000 -269.44 41.3173 103.317 -77.336 98.2485 -42.3142 -15.5227 1.9621 -211.007 PRESSAVG: 4591000 -62.0225 5.60867 6.21342 5.60862 28.157 18.7837 6.2135 18.7838 51.3653 GPRESSAVG: 4591000 -62.4675 6.49142 5.92767 2.84834 27.9651 19.2081 5.49532 19.1956 51.2807 TIMING: 4591000 CPU: 13289.2, 0.00291315/step Wall: 13289.2, 0.00291315/step, 0.330966 hours remaining, 211.382812 MB of memory in use. ENERGY: 4591000 773.2680 2059.2919 1945.4544 118.6507 -205960.6831 17502.9100 0.0000 0.0000 34430.0597 -149131.0485 300.6863 -183561.1082 -149037.9663 299.8415 -155.4649 -127.3996 556743.9923 5.8333 5.5928 PRESSURE: 4591200 -75.0856 -12.2741 -11.6174 -12.2753 61.3862 110.466 -11.6173 110.468 113.776 GPRESSURE: 4591200 -46.3755 -13.184 33.4999 -57.1592 123.95 153.756 74.5437 39.2846 124.837 PRESSAVG: 4591200 49.6267 -24.0401 44.8233 -24.0401 -22.6066 -22.5054 44.8235 -22.5055 -5.14571 GPRESSAVG: 4591200 51.0184 -24.8408 44.9579 -23.422 -23.822 -22.7151 47.4227 -25.0259 -4.64203 TIMING: 4591200 CPU: 13289.8, 0.00289244/step Wall: 13289.8, 0.00289244/step, 0.328452 hours remaining, 211.382812 MB of memory in use. ENERGY: 4591200 722.3720 2170.9995 1936.1646 116.8443 -206293.0562 17950.7117 0.0000 0.0000 34385.4158 -149010.5483 300.2964 -183395.9641 -148907.9139 299.8698 33.3590 67.4704 557330.9476 7.2915 7.5181 PRESSURE: 4591400 -161.85 98.6023 -2.47442 98.6029 -137.061 50.6656 -2.47263 50.666 197.498 GPRESSURE: 4591400 -143.058 -44.5068 -48.4239 136.274 -110.815 43.5184 42.1428 -8.80289 250.552 PRESSAVG: 4591400 -3.76401 24.2726 12.1675 24.2727 -15.4855 5.98416 12.1675 5.98414 -16.8332 GPRESSAVG: 4591400 -4.64881 21.4428 12.1218 25.7727 -14.7048 4.65553 8.49206 8.69398 -16.7048 TIMING: 4591400 CPU: 13290.4, 0.00288766/step Wall: 13290.4, 0.00288767/step, 0.32775 hours remaining, 211.382812 MB of memory in use. ENERGY: 4591400 752.7174 2098.3012 1938.6927 100.2531 -205638.9804 17682.3166 0.0000 0.0000 34045.8982 -149020.8011 297.3313 -183066.6993 -148926.5299 299.6280 -33.8044 -1.1070 558706.2349 -12.0276 -12.0195 PRESSURE: 4591600 -127.108 -5.16751 100.199 -5.16726 -338.468 -62.7264 100.198 -62.7261 -180.961 GPRESSURE: 4591600 -87.7782 98.8178 93.8734 -23.7604 -257.687 -2.9936 89.1397 -135.518 -202.84 PRESSAVG: 4591600 -2.28057 16.8118 31.792 16.8118 -2.15639 42.6204 31.7921 42.6204 -2.57443 GPRESSAVG: 4591600 -1.57613 21.0574 30.4693 14.3656 -2.51261 42.5628 32.0316 42.574 -3.40389 TIMING: 4591600 CPU: 13291, 0.00289107/step Wall: 13291, 0.00289106/step, 0.327975 hours remaining, 211.382812 MB of memory in use. ENERGY: 4591600 764.8777 2100.2480 1960.8712 125.4826 -206252.5986 17820.8659 0.0000 0.0000 34297.9978 -149182.2554 299.5329 -183480.2532 -149084.1741 299.5181 -215.5126 -182.7685 558980.9255 -2.3371 -2.4975 PRESSURE: 4591800 -315.801 -145.385 -11.8106 -145.385 -43.5354 9.75597 -11.8114 9.75586 -293.505 GPRESSURE: 4591800 -248.081 -150.196 -22.6899 -173.678 -46.8152 33.5739 -62.0337 -24.7236 -262.158 PRESSAVG: 4591800 -11.805 -40.0395 -22.5454 -40.0395 8.15585 15.6308 -22.5454 15.6308 -5.48564 GPRESSAVG: 4591800 -13.4285 -40.9806 -21.5462 -38.8656 8.50792 17.2286 -22.4544 12.7088 -4.12453 TIMING: 4591800 CPU: 13291.5, 0.00289247/step Wall: 13291.5, 0.00289248/step, 0.327975 hours remaining, 211.382812 MB of memory in use. ENERGY: 4591800 752.9663 2069.0185 1918.0564 115.2676 -205943.3341 17506.9321 0.0000 0.0000 34317.5534 -149263.5398 299.7037 -183581.0932 -149163.6568 299.0512 -217.6137 -185.6846 557612.1316 -3.0449 -3.0150 PRESSURE: 4592000 -153.944 113.886 8.26545 113.886 -119.047 -72.7802 8.26671 -72.7813 17.9427 GPRESSURE: 4592000 -68.7011 90.1376 16.7045 87.9193 -103.623 -13.964 -33.1993 -114.291 18.1304 PRESSAVG: 4592000 -27.4672 21.815 -4.53136 21.815 29.3188 16.8243 -4.53134 16.8242 12.1333 GPRESSAVG: 4592000 -26.498 20.8624 -5.04193 21.9736 30.8671 16.6361 -4.00373 17.7332 10.1261 TIMING: 4592000 CPU: 13292.1, 0.00287809/step Wall: 13292.1, 0.00287809/step, 0.326184 hours remaining, 211.382812 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: 4592000 738.0307 2044.3090 1944.6748 110.3437 -206252.8546 17850.0888 0.0000 0.0000 34378.8556 -149186.5520 300.2391 -183565.4076 -149081.8304 299.3367 -85.0159 -51.3979 558071.1990 4.6616 4.8317 PRESSURE: 4592200 -201.01 95.5772 85.401 95.5785 138.048 89.7293 85.4003 89.7281 -143.72 GPRESSURE: 4592200 -149.305 61.8586 53.2166 172.343 159.046 83.296 108.433 74.36 -121.463 PRESSAVG: 4592200 -0.483788 43.2116 48.1461 43.2115 19.5068 -24.9033 48.1461 -24.9034 24.1392 GPRESSAVG: 4592200 -0.270364 42.072 46.9003 43.3776 18.553 -24.8226 49.7735 -25.5903 24.5579 TIMING: 4592200 CPU: 13292.7, 0.00289349/step Wall: 13292.7, 0.00289349/step, 0.327768 hours remaining, 211.382812 MB of memory in use. ENERGY: 4592200 747.3752 2154.8299 1937.3611 105.1255 -205939.4980 17672.2529 0.0000 0.0000 34196.2361 -149126.3173 298.6442 -183322.5534 -149027.9814 299.5781 -68.8940 -37.2404 558019.6353 14.3874 14.2802 LDB: ============= START OF LOAD BALANCING ============== 13296.1 LDB: ============== END OF LOAD BALANCING =============== 13296.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13296.1 LDB: ============= START OF LOAD BALANCING ============== 13296.4 LDB: Largest compute 4799 load 0.026747 is 22.7% of average load 0.118075 LDB: Average compute 0.001733 is 1.5% of average load 0.118075 LDB: TIME 13296.4 LOAD: AVG 0.118075 MAX 0.180524 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.355 MB LDB: TIME 13296.4 LOAD: AVG 0.118075 MAX 0.180524 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.418 MB LDB: TIME 13296.4 LOAD: AVG 0.118075 MAX 0.180524 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.418 MB LDB: ============== END OF LOAD BALANCING =============== 13296.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13296.4 PRESSURE: 4592400 74.8603 160.408 75.0663 160.408 322.858 83.1138 75.0673 83.1134 133.385 GPRESSURE: 4592400 132.706 76.0527 128.742 176.53 398.421 50.0296 31.9019 150.692 112.52 PRESSAVG: 4592400 -4.33691 5.89198 23.9859 5.89194 21.77 65.6534 23.9859 65.6534 -62.5324 GPRESSAVG: 4592400 -4.84325 6.72754 26.3283 5.23601 20.833 64.5622 21.81 67.1877 -61.285 TIMING: 4592400 CPU: 13293.3, 0.00296106/step Wall: 13293.3, 0.00296106/step, 0.335258 hours remaining, 211.125000 MB of memory in use. ENERGY: 4592400 742.6957 2136.2395 1906.3041 129.7399 -206690.5908 18153.4277 0.0000 0.0000 34384.3106 -149237.8734 300.2867 -183622.1840 -149137.7666 299.6491 177.0345 214.5489 557442.6721 -15.0331 -15.0984 PRESSURE: 4592600 134.537 77.2901 11.7593 77.2901 114.951 -53.6217 11.7587 -53.6224 -21.651 GPRESSURE: 4592600 127.9 35.1723 -51.0565 105.914 81.4785 -85.9009 25.9959 -150.617 102.563 PRESSAVG: 4592600 0.989896 26.9349 73.0412 26.9349 10.5756 -25.5074 73.0412 -25.5073 -6.40269 GPRESSAVG: 4592600 -0.085511 28.988 70.0719 27.0386 11.343 -24.7743 73.8704 -24.7461 -6.63271 TIMING: 4592600 CPU: 13293.9, 0.00291254/step Wall: 13293.9, 0.00291254/step, 0.329603 hours remaining, 211.125000 MB of memory in use. ENERGY: 4592600 756.0806 2113.3633 1921.8412 107.4266 -206428.1326 18032.2043 0.0000 0.0000 34091.8620 -149405.3547 297.7327 -183497.2166 -149307.5572 299.6821 75.9456 103.9807 557628.1489 1.7209 1.5416 PRESSURE: 4592800 -51.0209 -39.7722 90.2983 -39.772 -95.3207 -37.0728 90.299 -37.0723 -72.1153 GPRESSURE: 4592800 -69.5822 -51.5214 32.9157 17.3124 -31.4947 21.211 121.566 -127.358 -25.7567 PRESSAVG: 4592800 31.8253 -32.5843 20.0179 -32.5844 -29.0707 9.93729 20.0179 9.93719 10.8754 GPRESSAVG: 4592800 34.2495 -30.8316 24.3745 -32.2323 -30.248 8.58939 18.9655 9.50731 9.67056 TIMING: 4592800 CPU: 13294.5, 0.00288418/step Wall: 13294.5, 0.00288418/step, 0.326233 hours remaining, 211.125000 MB of memory in use. ENERGY: 4592800 735.8963 2072.9115 1946.5923 116.0071 -206201.7860 17794.7372 0.0000 0.0000 34030.0820 -149505.5595 297.1932 -183535.6415 -149399.1411 298.8143 -72.8190 -42.2779 558667.9613 4.5433 4.5574 PRESSURE: 4593000 -134.63 -116.232 66.3232 -116.231 177.044 89.0193 66.3242 89.0196 -65.0526 GPRESSURE: 4593000 -138.923 -88.1512 28.0086 -129.886 257.028 99.8897 -40.4383 5.9925 -56.2396 PRESSAVG: 4593000 -115.22 -12.7054 52.5092 -12.7055 34.9836 24.5153 52.5094 24.5153 82.5151 GPRESSAVG: 4593000 -115.789 -15.5285 49.3668 -11.5968 34.2906 23.5902 54.1572 25.0056 83.2627 TIMING: 4593000 CPU: 13295, 0.00288518/step Wall: 13295, 0.00288518/step, 0.326186 hours remaining, 211.125000 MB of memory in use. ENERGY: 4593000 708.0850 2131.3424 1936.7268 115.3792 -206262.3049 17737.3671 0.0000 0.0000 34170.6408 -149462.7635 298.4207 -183633.4044 -149362.1881 298.5113 -7.5462 20.6218 556566.7310 0.7597 0.5880 PRESSURE: 4593200 -45.2221 23.8412 -128.748 23.8413 -4.28852 31.7659 -128.748 31.7682 -182.35 GPRESSURE: 4593200 -50.2322 2.7284 -60.4947 -22.5701 42.8097 -29.1169 -89.0215 63.0661 -135.177 PRESSAVG: 4593200 -99.6584 18.6035 9.67722 18.6035 64.6134 2.5042 9.67722 2.5041 62.4138 GPRESSAVG: 4593200 -99.6998 18.8975 10.5294 18.409 64.6076 3.28967 8.80295 1.24516 62.3664 TIMING: 4593200 CPU: 13295.6, 0.00287249/step Wall: 13295.6, 0.00287249/step, 0.324592 hours remaining, 211.125000 MB of memory in use. ENERGY: 4593200 779.5929 2056.8509 1943.1544 106.2936 -206132.2505 17619.8552 0.0000 0.0000 34281.4577 -149345.0457 299.3885 -183626.5034 -149249.8668 299.0551 -77.2869 -47.5332 557408.8121 9.1229 9.0914 PRESSURE: 4593400 51.91 23.4503 -85.3651 23.4501 -60.48 -87.9395 -85.3644 -87.9382 -106.882 GPRESSURE: 4593400 92.4559 64.8563 -6.2452 60.6052 -51.8503 -140.503 -95.8176 -151.689 -54.072 PRESSAVG: 4593400 29.3517 6.49415 21.7673 6.49417 -29.5612 16.3754 21.7674 16.3755 -3.29437 GPRESSAVG: 4593400 29.881 5.96775 23.2013 7.19666 -30.4116 16.7331 20.2666 17.1262 -2.99135 TIMING: 4593400 CPU: 13296.2, 0.00288119/step Wall: 13296.2, 0.00288119/step, 0.325415 hours remaining, 211.125000 MB of memory in use. ENERGY: 4593400 778.9768 2077.0658 1958.2633 115.3764 -206433.9185 17772.7448 0.0000 0.0000 34254.9776 -149476.5138 299.1572 -183731.4914 -149386.4267 298.7234 -38.4839 -4.4888 557369.9421 -1.1679 -1.1740 PRESSURE: 4593600 51.5558 -3.38865 93.0717 -3.3888 -109.913 11.7083 93.0724 11.7087 115.056 GPRESSURE: 4593600 22.7754 -24.0435 99.6272 -42.6714 3.0024 91.8447 36.834 -46.1104 131.156 PRESSAVG: 4593600 45.1527 -15.5176 7.18976 -15.5176 -23.95 -7.15284 7.18974 -7.15285 -19.386 GPRESSAVG: 4593600 44.6062 -13.3189 5.12979 -16.2164 -23.2297 -7.22388 9.07297 -6.65647 -19.8844 TIMING: 4593600 CPU: 13296.8, 0.00291062/step Wall: 13296.8, 0.00291062/step, 0.328576 hours remaining, 211.125000 MB of memory in use. ENERGY: 4593600 729.9606 2079.7568 1977.3320 107.7919 -206166.4899 17807.7660 0.0000 0.0000 34063.9850 -149399.8976 297.4893 -183463.8826 -149299.2557 298.3357 18.8997 52.3114 557294.8395 0.6056 0.4974 PRESSURE: 4593800 36.0508 175.31 -100.821 175.31 24.5929 -16.5207 -100.82 -16.5221 157.6 GPRESSURE: 4593800 86.6645 79.8759 -67.2145 108.713 71.5516 -3.01476 -173.665 47.3286 156.025 PRESSAVG: 4593800 5.5844 -52.1289 -21.9634 -52.1289 -28.7597 34.0197 -21.9635 34.0196 21.3519 GPRESSAVG: 4593800 6.22665 -54.4485 -21.2813 -53.8822 -28.7913 34.4455 -20.903 31.9306 20.8486 TIMING: 4593800 CPU: 13297.3, 0.00291656/step Wall: 13297.3, 0.00291656/step, 0.329085 hours remaining, 211.125000 MB of memory in use. ENERGY: 4593800 737.5409 2107.5222 1941.4618 107.2719 -206512.6470 17865.4645 0.0000 0.0000 34443.3340 -149310.0517 300.8022 -183753.3857 -149210.5299 299.2311 72.7479 104.7470 555666.9215 -0.6078 -0.5720 PRESSURE: 4594000 15.9294 -134.78 -126.754 -134.781 -108.031 -64.0997 -126.754 -64.1004 -161.527 GPRESSURE: 4594000 45.1327 -115.718 -174.13 -191.066 -65.8668 -126.071 -200.591 -95.4167 -147.535 PRESSAVG: 4594000 -1.07443 -35.4956 -35.4682 -35.4957 7.72477 6.19864 -35.4683 6.19866 7.10575 GPRESSAVG: 4594000 -2.04476 -35.2786 -35.0593 -34.4728 7.22545 7.08251 -36.4592 6.80493 8.7683 TIMING: 4594000 CPU: 13297.9, 0.00291221/step Wall: 13297.9, 0.00291221/step, 0.328432 hours remaining, 211.125000 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: 4594000 688.9932 2089.3816 1930.9270 123.4653 -205553.6183 17367.6203 0.0000 0.0000 34200.6911 -149152.5397 298.6831 -183353.2308 -149054.7140 299.4963 -84.5428 -56.0898 558127.7454 4.5854 4.6497 PRESSURE: 4594200 -105.461 -21.0125 108.315 -21.0114 101.748 72.4984 108.316 72.4995 108.391 GPRESSURE: 4594200 -121.607 -54.0847 146.502 -40.2516 134.323 196.318 59.0749 -3.60838 186.386 PRESSAVG: 4594200 -89.942 -41.9451 -28.2731 -41.9452 41.1255 -47.949 -28.273 -47.9489 18.1425 GPRESSAVG: 4594200 -88.4771 -39.4688 -28.1427 -42.2393 41.4679 -49.9439 -27.17 -46.0104 16.2754 TIMING: 4594200 CPU: 13298.5, 0.00288364/step Wall: 13298.5, 0.00288364/step, 0.32505 hours remaining, 211.125000 MB of memory in use. ENERGY: 4594200 714.2068 2090.0304 1918.0197 113.5145 -205766.2395 17570.4783 0.0000 0.0000 34133.6757 -149226.3141 298.0979 -183359.9899 -149137.4241 299.6334 34.8927 66.3672 556478.2517 -10.2246 -10.2446 PRESSURE: 4594400 -45.0578 55.3754 -79.3015 55.375 -191.707 -3.40924 -79.3013 -3.40887 -247.462 GPRESSURE: 4594400 6.83629 31.6632 -45.3661 54.2227 -178.405 -74.4366 -33.0608 71.7092 -222.952 PRESSAVG: 4594400 -81.5802 -36.9976 2.73966 -36.9976 40.2521 -41.0562 2.73964 -41.0563 74.0051 GPRESSAVG: 4594400 -81.8843 -39.238 3.20986 -36.3418 40.4313 -42.3424 2.39975 -41.1408 74.2628 TIMING: 4594400 CPU: 13299.1, 0.00290934/step Wall: 13299.1, 0.00290934/step, 0.327785 hours remaining, 211.125000 MB of memory in use. ENERGY: 4594400 755.7738 2100.1365 1960.4775 119.0354 -205560.9757 17424.7401 0.0000 0.0000 34092.9556 -149107.8569 297.7423 -183200.8125 -149018.5440 299.0040 -161.4092 -131.5069 558827.8131 10.8923 10.9366 PRESSURE: 4594600 -63.8431 -125.279 219.714 -125.279 -212.161 55.1402 219.715 55.1412 -171.45 GPRESSURE: 4594600 -26.8073 -44.6628 177.852 -206.623 -179.942 14.62 234.89 39.1536 -134.983 PRESSAVG: 4594600 85.0425 -45.0381 10.8586 -45.0382 -99.1694 -4.57178 10.8586 -4.57174 45.3935 GPRESSAVG: 4594600 84.8231 -43.1614 8.69926 -43.8588 -99.4448 -4.08515 12.727 -5.65574 46.0629 TIMING: 4594600 CPU: 13299.7, 0.00290116/step Wall: 13299.7, 0.00290116/step, 0.326703 hours remaining, 211.125000 MB of memory in use. ENERGY: 4594600 787.4834 2019.6040 1950.3256 113.6067 -205771.8437 17563.8427 0.0000 0.0000 34195.3400 -149141.6413 298.6364 -183336.9813 -149053.4548 299.3959 -149.1512 -113.9106 557652.1132 10.4222 10.4804 PRESSURE: 4594800 -36.157 151.446 -14.3816 151.446 -68.821 -44.3142 -14.3815 -44.3151 87.2164 GPRESSURE: 4594800 -20.1301 208.681 -95.681 53.8398 -47.1962 -116.362 8.73916 -42.728 139.908 PRESSAVG: 4594800 62.6775 7.69595 21.9835 7.69598 -7.89277 -18.518 21.9835 -18.5179 -29.9396 GPRESSAVG: 4594800 62.9372 7.4616 21.6037 6.45759 -9.08986 -17.412 20.3979 -18.0299 -29.3208 TIMING: 4594800 CPU: 13300.2, 0.00289332/step Wall: 13300.2, 0.00289332/step, 0.325659 hours remaining, 211.125000 MB of memory in use. ENERGY: 4594800 758.0962 2095.2655 1926.8603 106.6377 -205755.8759 17699.6759 0.0000 0.0000 34279.5460 -148889.7944 299.3718 -183169.3404 -148796.1174 299.9376 -5.9205 24.1940 558728.7434 8.2817 8.1755 PRESSURE: 4595000 80.5892 31.0983 53.8691 31.0985 -217.018 88.9236 53.8693 88.9237 15.432 GPRESSURE: 4595000 102.945 -38.5324 35.5071 57.8103 -151.705 179.1 -2.77717 67.4528 19.5507 PRESSAVG: 4595000 86.5372 -15.7924 33.4057 -15.7925 -16.7405 -10.3703 33.4057 -10.3703 -50.2006 GPRESSAVG: 4595000 87.2867 -15.4647 35.4721 -15.7786 -15.8884 -9.67969 32.7745 -13.1922 -51.9347 TIMING: 4595000 CPU: 13300.8, 0.00290277/step Wall: 13300.8, 0.00290277/step, 0.326562 hours remaining, 211.125000 MB of memory in use. ENERGY: 4595000 734.0927 2133.0733 1984.1062 106.1539 -206053.7703 17795.5283 0.0000 0.0000 34470.7575 -148830.0583 301.0417 -183300.8158 -148731.6515 300.0316 -40.3322 -9.7365 559191.6292 6.5320 6.4879 PRESSURE: 4595200 -255.556 -12.823 -14.6099 -12.824 24.7857 37.5793 -14.6081 37.5809 28.3742 GPRESSURE: 4595200 -243.379 -36.1494 -35.2507 28.0709 118.623 -0.874789 36.0951 71.0073 25.1464 PRESSAVG: 4595200 -7.23907 22.4574 11.74 22.4574 -5.90113 26.1654 11.74 26.1654 2.38647 GPRESSAVG: 4595200 -7.45105 21.8844 10.6126 22.372 -6.05573 26.2966 11.3229 28.1278 3.38336 TIMING: 4595200 CPU: 13301.4, 0.00290215/step Wall: 13301.4, 0.00290215/step, 0.326331 hours remaining, 211.125000 MB of memory in use. ENERGY: 4595200 778.5132 2050.1919 1959.8019 114.2606 -205430.1849 17538.6099 0.0000 0.0000 34270.7536 -148718.0538 299.2950 -182988.8074 -148622.4209 300.6464 -67.4652 -33.2034 557377.8250 -3.5846 -3.3745 PRESSURE: 4595400 -48.1917 -51.7253 -99.5779 -51.7254 -155.433 16.6489 -99.5794 16.6477 33.5416 GPRESSURE: 4595400 -2.007 -20.0888 -23.7837 -112.777 -67.5741 13.8717 -154.337 83.4825 -16.991 PRESSAVG: 4595400 -55.7075 28.9126 -0.0622326 28.9126 85.5804 8.32181 -0.0622777 8.32175 -41.0133 GPRESSAVG: 4595400 -54.9972 28.2464 1.05273 27.793 85.1192 7.43566 -0.507889 9.39758 -40.9964 TIMING: 4595400 CPU: 13302, 0.00293726/step Wall: 13302, 0.00293726/step, 0.330116 hours remaining, 211.125000 MB of memory in use. ENERGY: 4595400 757.9905 2144.7252 1929.5887 110.7113 -205766.0254 17499.2428 0.0000 0.0000 34462.8106 -148860.9563 300.9723 -183323.7669 -148756.4634 300.8353 -56.6942 -28.8573 556756.1891 -3.7135 -3.6248 PRESSURE: 4595600 7.37041 -1.3209 63.4608 -1.32007 -72.8115 215.43 63.4602 215.429 176.637 GPRESSURE: 4595600 30.9639 4.68672 86.4002 -13.5819 -65.1699 277.131 100.766 168.401 238.295 PRESSAVG: 4595600 34.1098 -13.453 7.56117 -13.4531 -9.46726 -3.21541 7.56115 -3.21548 -26.1043 GPRESSAVG: 4595600 33.4544 -11.8897 7.64878 -12.0772 -9.28391 -2.63041 8.40218 -4.81583 -25.4161 TIMING: 4595600 CPU: 13302.6, 0.00294166/step Wall: 13302.6, 0.00294166/step, 0.330446 hours remaining, 211.125000 MB of memory in use. ENERGY: 4595600 744.3038 2088.0960 1922.1525 109.6978 -205730.6637 17581.9609 0.0000 0.0000 34393.5536 -148890.8992 300.3675 -183284.4528 -148798.2118 301.0599 37.0655 68.0297 556674.4947 -0.4872 -0.4152 PRESSURE: 4595800 9.95172 68.4744 -44.9051 68.4752 44.579 -109.446 -44.9062 -109.447 89.1749 GPRESSURE: 4595800 40.8324 41.8216 -54.2835 62.9137 83.6045 -197.506 -3.11243 -95.2845 109.249 PRESSAVG: 4595800 26.6124 19.1079 20.6589 19.1079 -9.02447 22.0794 20.6588 22.0795 19.0726 GPRESSAVG: 4595800 26.7233 18.1295 19.6378 19.0847 -8.30901 20.9544 22.1002 20.4455 18.3102 TIMING: 4595800 CPU: 13303.2, 0.00289424/step Wall: 13303.2, 0.00289424/step, 0.324959 hours remaining, 211.125000 MB of memory in use. ENERGY: 4595800 739.3497 2096.5178 1939.5260 118.0613 -205907.2210 17559.0862 0.0000 0.0000 34408.4952 -149046.1848 300.4979 -183454.6800 -148953.5633 300.9850 47.9019 77.8952 555966.7126 12.2202 12.2415 PRESSURE: 4596000 -191.933 156.592 18.4206 156.591 -237.845 41.7293 18.4209 41.73 -10.0352 GPRESSURE: 4596000 -118.581 146.822 5.34288 167.811 -252.587 -16.4963 -10.1291 114.359 24.4596 PRESSAVG: 4596000 -39.2866 32.8481 3.14756 32.8481 -20.3015 -17.6657 3.1476 -17.6657 61.9268 GPRESSAVG: 4596000 -38.9302 32.9598 4.08047 33.185 -20.2116 -17.7536 0.895684 -15.1855 62.249 TIMING: 4596000 CPU: 13303.7, 0.00289786/step Wall: 13303.7, 0.00289786/step, 0.325204 hours remaining, 211.125000 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: 4596000 762.0558 2070.2055 1950.5934 126.4949 -205936.2879 17632.6142 0.0000 0.0000 34158.6220 -149235.7023 298.3157 -183394.3242 -149136.3248 299.6138 -146.6043 -115.5698 557541.3962 0.7796 1.0357 PRESSURE: 4596200 -63.7797 -44.7553 -10.0882 -44.7524 92.611 -20.8309 -10.0878 -20.8307 32.592 GPRESSURE: 4596200 -6.78314 21.7352 18.1401 -69.7755 134.879 -47.5857 40.8263 -47.1355 33.0713 PRESSAVG: 4596200 -0.725081 12.9704 -33.2814 12.9704 -41.4224 -33.046 -33.2815 -33.0461 58.434 GPRESSAVG: 4596200 -1.76895 13.7741 -32.8481 13.5061 -40.9802 -31.9574 -33.6052 -32.5556 59.5937 TIMING: 4596200 CPU: 13304.3, 0.00289416/step Wall: 13304.3, 0.00289416/step, 0.324628 hours remaining, 211.125000 MB of memory in use. ENERGY: 4596200 768.7465 2078.1341 1931.8823 117.8702 -206235.6559 17808.0054 0.0000 0.0000 34302.9092 -149228.1083 299.5758 -183531.0174 -149137.5609 299.2784 20.4744 53.7224 557001.4769 5.4288 5.6148 LDB: ============= START OF LOAD BALANCING ============== 13307.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13307.7 LDB: =============== DONE WITH MIGRATION ================ 13307.7 LDB: ============= START OF LOAD BALANCING ============== 13308 LDB: Largest compute 4799 load 0.027589 is 23.4% of average load 0.118103 LDB: Average compute 0.001728 is 1.5% of average load 0.118103 LDB: TIME 13308 LOAD: AVG 0.118103 MAX 0.18141 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.125 MB LDB: TIME 13308 LOAD: AVG 0.118103 MAX 0.18141 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.332 MB LDB: TIME 13308 LOAD: AVG 0.118103 MAX 0.18141 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13308 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13308 PRESSURE: 4596400 116.889 64.6753 86.7098 64.6765 -346.367 -77.6447 86.7091 -77.6453 -125.023 GPRESSURE: 4596400 168.889 6.96612 34.3523 64.7101 -324.922 -156.33 121.119 8.56471 -101.076 PRESSAVG: 4596400 -24.8045 -20.381 5.74744 -20.381 -60.9009 15.3897 5.74755 15.3898 30.5982 GPRESSAVG: 4596400 -24.3442 -21.6635 7.40209 -20.7015 -60.6454 14.5722 3.874 14.0175 29.8805 TIMING: 4596400 CPU: 13304.9, 0.00298862/step Wall: 13304.9, 0.00298862/step, 0.335058 hours remaining, 210.355469 MB of memory in use. ENERGY: 4596400 764.7266 2037.5706 1957.8219 118.7007 -206279.6781 17751.7070 0.0000 0.0000 34258.1018 -149391.0496 299.1845 -183649.1513 -149296.8287 298.6321 -118.1667 -85.7033 557009.6937 -18.3691 -18.3697 PRESSURE: 4596600 -115.207 18.6286 76.1067 18.6295 45.3599 122.72 76.1079 122.719 88.3555 GPRESSURE: 4596600 -54.7388 48.2018 45.0924 84.7814 58.2548 158.367 79.8192 39.5078 108.005 PRESSAVG: 4596600 -30.1337 20.0451 -23.3909 20.0451 -16.2003 44.9797 -23.391 44.9797 0.929571 GPRESSAVG: 4596600 -29.9635 21.3228 -25.9915 19.306 -16.3343 44.0119 -20.3928 45.0545 0.636244 TIMING: 4596600 CPU: 13305.5, 0.00292305/step Wall: 13305.5, 0.00292305/step, 0.327544 hours remaining, 210.355469 MB of memory in use. ENERGY: 4596600 752.8278 2040.1230 1930.3816 105.7884 -206367.7870 17803.9745 0.0000 0.0000 34418.7842 -149315.9075 300.5878 -183734.6917 -149220.3927 299.5300 6.1694 37.1736 557653.3749 -15.1348 -15.2205 PRESSURE: 4596800 59.5953 99.6315 -29.416 99.631 159.513 31.5852 -29.4162 31.586 -99.7193 GPRESSURE: 4596800 97.9027 44.3181 -2.00239 159.315 179.318 36.794 10.4954 -0.455041 -48.2605 PRESSAVG: 4596800 9.00263 63.1347 -34.7412 63.1348 34.1243 52.8884 -34.7412 52.8885 17.5086 GPRESSAVG: 4596800 7.43358 63.2617 -35.1287 62.251 33.7427 53.7954 -35.6717 54.3452 18.6604 TIMING: 4596800 CPU: 13306.1, 0.00291986/step Wall: 13306.1, 0.00291986/step, 0.327024 hours remaining, 210.355469 MB of memory in use. ENERGY: 4596800 768.6874 2032.3178 1932.6677 101.7333 -206456.3863 17892.3846 0.0000 0.0000 34379.3085 -149349.2870 300.2431 -183728.5955 -149250.9945 298.7960 39.7964 76.3201 557516.4342 20.2118 19.9456 PRESSURE: 4597000 24.6119 37.9661 159.391 37.966 -291.361 -158.011 159.392 -158.01 -157.017 GPRESSURE: 4597000 29.3782 40.9588 113.9 12.5828 -250.558 -150.776 147.178 -149.16 -95.5961 PRESSAVG: 4597000 -21.8914 19.1554 19.2595 19.1553 29.2709 -20.2479 19.2596 -20.2479 -6.26816 GPRESSAVG: 4597000 -20.1851 18.956 19.2966 20.8956 27.9983 -21.843 19.9438 -19.9597 -6.81213 TIMING: 4597000 CPU: 13306.7, 0.00291737/step Wall: 13306.7, 0.00291737/step, 0.326583 hours remaining, 210.355469 MB of memory in use. ENERGY: 4597000 782.8054 2103.0917 1932.2401 110.0702 -206223.3875 17779.5524 0.0000 0.0000 34082.3397 -149433.2881 297.6495 -183515.6278 -149336.1499 299.2289 -141.2555 -105.5919 558781.4874 0.3704 0.3337 PRESSURE: 4597200 157.79 -62.7869 62.2569 -62.7872 50.9314 189.024 62.2555 189.025 152.232 GPRESSURE: 4597200 165.266 -67.3125 193.486 8.03315 113.081 208.265 -54.152 202.312 182.254 PRESSAVG: 4597200 13.5853 -67.8204 6.66709 -67.8204 42.2 -23.4166 6.66703 -23.4166 -89.6852 GPRESSAVG: 4597200 13.1364 -69.4873 7.06089 -66.7722 42.8358 -21.9731 4.60484 -24.0094 -90.1806 TIMING: 4597200 CPU: 13307.3, 0.00290421/step Wall: 13307.3, 0.00290421/step, 0.324949 hours remaining, 210.355469 MB of memory in use. ENERGY: 4597200 752.6200 2043.1036 1951.9656 100.8953 -206667.7559 18156.2305 0.0000 0.0000 34281.1448 -149381.7962 299.3858 -183662.9410 -149289.7132 298.3666 120.3178 153.5337 558850.5645 -11.3000 -11.4028 PRESSURE: 4597400 11.2579 -101.073 48.4679 -101.074 140.671 -41.9753 48.4666 -41.9767 151.288 GPRESSURE: 4597400 48.6827 -131.284 4.0857 -80.2313 170.565 -33.3562 76.1818 -36.6682 175.837 PRESSAVG: 4597400 12.423 -67.3668 38.4393 -67.3668 19.3283 -8.18419 38.4393 -8.18413 12.8309 GPRESSAVG: 4597400 12.8187 -65.3522 38.5612 -68.0445 18.6793 -5.95926 40.2038 -7.23126 13.6058 TIMING: 4597400 CPU: 13307.8, 0.00292624/step Wall: 13307.8, 0.00292624/step, 0.327251 hours remaining, 210.355469 MB of memory in use. ENERGY: 4597400 720.4395 2093.7285 1963.2881 111.0414 -206379.8187 17909.6591 0.0000 0.0000 34367.6933 -149213.9688 300.1416 -183581.6621 -149118.3465 298.6631 101.0722 131.6948 557225.5361 14.8607 15.0346 PRESSURE: 4597600 90.2503 -49.9512 -33.9012 -49.9523 -64.8861 10.2252 -33.9011 10.2238 -66.4537 GPRESSURE: 4597600 100.417 -61.6995 -4.35916 -151.578 17.5625 -42.7479 -47.017 44.5588 -54.459 PRESSAVG: 4597600 11.695 -20.2164 24.6139 -20.2165 -18.5168 8.19509 24.6139 8.19508 -21.173 GPRESSAVG: 4597600 10.0961 -19.0603 25.5549 -22.5379 -16.7211 6.48742 24.5923 8.74963 -21.7394 TIMING: 4597600 CPU: 13308.4, 0.00289284/step Wall: 13308.4, 0.00289284/step, 0.323355 hours remaining, 210.355469 MB of memory in use. ENERGY: 4597600 765.5952 2026.7005 1941.5621 113.4570 -206488.1851 18094.6112 0.0000 0.0000 34352.2098 -149194.0492 300.0064 -183546.2590 -149096.9018 299.5396 -13.6965 21.1736 558022.2142 -9.3316 -9.4548 PRESSURE: 4597800 53.5844 -7.97498 -70.14 -7.97526 -79.4124 26.1661 -70.1392 26.1643 -264.304 GPRESSURE: 4597800 49.0291 43.9739 -123.654 -119.494 -25.6157 73.0357 -39.6882 -19.5447 -217.117 PRESSAVG: 4597800 6.14726 -29.2839 8.81308 -29.2839 -1.52697 58.1629 8.81315 58.163 34.7309 GPRESSAVG: 4597800 6.97546 -29.9707 10.0652 -30.1459 -2.12347 57.7715 7.38435 58.2716 34.7922 TIMING: 4597800 CPU: 13309, 0.00289942/step Wall: 13309, 0.00289942/step, 0.323929 hours remaining, 210.355469 MB of memory in use. ENERGY: 4597800 720.1911 2105.9793 1965.8566 112.0488 -206151.8805 17586.3072 0.0000 0.0000 34233.1882 -149428.3092 298.9669 -183661.4974 -149338.2721 299.2215 -96.7108 -64.5678 557195.3048 13.1170 13.2147 PRESSURE: 4598000 -88.7387 -28.5827 47.5569 -28.5831 -312.742 20.5258 47.5565 20.5272 62.7831 GPRESSURE: 4598000 -112.557 -69.422 105.93 3.95305 -261.711 69.5204 -53.5556 -99.4907 134.424 PRESSAVG: 4598000 31.4723 -33.8294 45.2189 -33.8295 9.40594 46.3358 45.2189 46.3357 -13.1164 GPRESSAVG: 4598000 32.1951 -34.9343 45.3234 -29.4908 9.03053 47.3025 45.0718 44.7483 -13.3547 TIMING: 4598000 CPU: 13309.6, 0.00288025/step Wall: 13309.6, 0.00288025/step, 0.321628 hours remaining, 210.355469 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: 4598000 711.5809 2104.3605 1948.2106 121.9743 -206264.2474 17616.1757 0.0000 0.0000 34287.9634 -149473.9821 299.4453 -183761.9454 -149380.1377 298.6771 -112.8991 -79.9481 556265.2376 9.2539 9.2903 PRESSURE: 4598200 -5.32051 -32.06 68.7806 -32.0589 -116.659 77.3851 68.7819 77.3857 -198.724 GPRESSURE: 4598200 65.0458 -79.8637 54.7687 -89.506 -34.6957 10.4516 65.2258 50.1994 -252.155 PRESSAVG: 4598200 74.5328 -20.8008 -66.2891 -20.8008 -89.0369 1.72715 -66.289 1.72713 44.5879 GPRESSAVG: 4598200 74.4458 -19.8055 -69.8763 -24.9527 -88.4431 0.920812 -63.3323 2.15282 44.213 TIMING: 4598200 CPU: 13310.1, 0.00288056/step Wall: 13310.1, 0.00288056/step, 0.321502 hours remaining, 210.355469 MB of memory in use. ENERGY: 4598200 738.7115 2131.1282 1924.1061 107.9877 -206127.1261 17740.9601 0.0000 0.0000 34077.1424 -149407.0900 297.6042 -183484.2324 -149304.9147 298.8134 -106.9012 -73.9349 557752.0623 10.0279 10.0719 PRESSURE: 4598400 -187.462 -140.741 32.978 -140.741 -349.119 -29.4552 32.9785 -29.4538 -434.047 GPRESSURE: 4598400 -181.172 -231.142 -15.5449 -32.1535 -328.109 -44.5234 58.5018 -45.969 -371.895 PRESSAVG: 4598400 28.9285 1.84776 -41.8314 1.84778 -8.42994 -39.5756 -41.8315 -39.5757 -9.80738 GPRESSAVG: 4598400 28.3627 -0.0400662 -42.055 5.15857 -9.39378 -37.3132 -42.5857 -39.7365 -8.31902 TIMING: 4598400 CPU: 13310.7, 0.00287749/step Wall: 13310.7, 0.00287749/step, 0.321 hours remaining, 210.355469 MB of memory in use. ENERGY: 4598400 739.4172 2113.5687 1947.2705 110.7832 -205856.3256 17438.9782 0.0000 0.0000 34207.3455 -149298.9624 298.7413 -183506.3079 -149197.6936 298.5498 -323.5431 -293.7256 559074.0006 3.5637 3.5500 PRESSURE: 4598600 61.7579 20.9351 -9.15323 20.9365 57.3392 -26.4456 -9.15371 -26.4438 -39.4006 GPRESSURE: 4598600 41.2971 -3.02337 -35.1966 -22.3912 96.627 -38.4952 4.55092 -12.3353 32.8159 PRESSAVG: 4598600 -5.84551 21.2828 -87.4382 21.2827 10.7913 -22.9576 -87.4381 -22.9576 -21.5469 GPRESSAVG: 4598600 -5.46657 22.737 -84.567 19.5296 11.0247 -23.8085 -88.4904 -23.1098 -21.9386 TIMING: 4598600 CPU: 13311.3, 0.00288295/step Wall: 13311.3, 0.00288295/step, 0.321449 hours remaining, 210.355469 MB of memory in use. ENERGY: 4598600 742.0889 2071.7297 1919.4496 111.2221 -206383.5323 17853.8337 0.0000 0.0000 34455.8058 -149229.4024 300.9111 -183685.2082 -149134.1090 299.3906 26.5655 56.9133 556436.0674 -5.5337 -5.4602 PRESSURE: 4598800 442.663 43.0089 107.243 43.0101 16.392 -28.7452 107.244 -28.745 -85.6769 GPRESSURE: 4598800 463.806 29.2954 93.762 83.2035 28.8971 60.5462 106.366 -35.2888 -23.4037 PRESSAVG: 4598800 37.8032 44.0497 -19.3742 44.0496 22.4469 8.77887 -19.3742 8.77874 -56.8933 GPRESSAVG: 4598800 36.1931 43.1973 -21.106 44.2607 23.3066 7.67072 -17.7045 9.58569 -56.3605 TIMING: 4598800 CPU: 13311.9, 0.00287018/step Wall: 13311.9, 0.00287018/step, 0.319866 hours remaining, 210.355469 MB of memory in use. ENERGY: 4598800 727.8969 2109.2096 1944.4269 115.0540 -206220.9878 17952.6953 0.0000 0.0000 34084.3345 -149287.3706 297.6670 -183371.7051 -149197.9914 298.8790 124.4593 156.4331 557919.4068 1.1189 1.0464 PRESSURE: 4599000 -190.7 -249.682 66.4204 -249.681 -234.748 39.6906 66.4213 39.6914 -218.954 GPRESSURE: 4599000 -164.668 -192.75 162.586 -280.434 -217.43 -6.72258 -62.8385 43.1478 -163.887 PRESSAVG: 4599000 -27.0575 10.5837 -15.4639 10.5838 44.9693 24.4621 -15.4639 24.462 -12.4261 GPRESSAVG: 4599000 -26.9727 12.4738 -12.6389 11.4975 45.0487 24.0281 -18.2052 24.3879 -13.1094 TIMING: 4599000 CPU: 13312.4, 0.00287216/step Wall: 13312.4, 0.00287216/step, 0.319927 hours remaining, 210.355469 MB of memory in use. ENERGY: 4599000 761.1044 2101.9712 1933.2019 94.9862 -205929.5888 17550.0666 0.0000 0.0000 34348.3026 -149139.9560 299.9723 -183488.2585 -149041.4752 299.2273 -214.8007 -181.9951 559203.5745 1.8286 1.6555 PRESSURE: 4599200 -179.877 -39.6327 108.457 -39.6328 -167.463 -15.357 108.455 -15.3559 7.73266 GPRESSURE: 4599200 -132.781 32.2055 63.9997 -141.62 -114.008 -9.24989 94.1506 -15.6431 20.0271 PRESSAVG: 4599200 21.1206 9.28384 26.4972 9.28374 27.7938 -16.6957 26.4972 -16.6958 -14.2759 GPRESSAVG: 4599200 22.3793 10.6858 23.1704 6.95845 26.7108 -14.0819 30.9658 -17.605 -14.866 TIMING: 4599200 CPU: 13313, 0.00287901/step Wall: 13313, 0.00287901/step, 0.32053 hours remaining, 210.355469 MB of memory in use. ENERGY: 4599200 738.9572 2101.9273 1950.9727 108.0724 -205901.3041 17685.7840 0.0000 0.0000 34005.1225 -149310.4682 296.9752 -183315.5906 -149207.1789 298.9435 -113.2025 -75.5874 558199.5025 11.5462 11.4081 PRESSURE: 4599400 -115.162 97.4886 -94.5575 97.4878 -41.9107 -55.7537 -94.5581 -55.754 -103.28 GPRESSURE: 4599400 -135.162 134.968 -70.1094 60.5248 10.5142 -6.406 -137.075 -173.885 -40.8408 PRESSAVG: 4599400 -45.8562 8.83137 1.75572 8.83138 17.6256 -11.7227 1.75563 -11.7227 10.5474 GPRESSAVG: 4599400 -45.7631 6.4793 2.27203 11.1379 17.9229 -13.7662 1.16089 -10.2552 9.97291 TIMING: 4599400 CPU: 13313.6, 0.00288135/step Wall: 13313.6, 0.00288135/step, 0.320631 hours remaining, 210.355469 MB of memory in use. ENERGY: 4599400 743.7921 2121.5379 1932.3099 109.4393 -206288.6413 17664.0472 0.0000 0.0000 34186.3266 -149531.1883 298.5577 -183717.5149 -149434.9907 298.3019 -86.7840 -55.1630 556934.0397 -5.8944 -5.9558 PRESSURE: 4599600 -201.986 201.639 60.3479 201.639 -79.4679 21.3876 60.3479 21.3878 -354.455 GPRESSURE: 4599600 -209.631 184.494 100.7 227.025 -89.8023 52.5472 104.216 -9.39219 -240.35 PRESSAVG: 4599600 -16.8378 22.8353 -21.1975 22.8352 24.9145 -20.7281 -21.1976 -20.7281 12.1817 GPRESSAVG: 4599600 -17.5986 23.8712 -21.8544 21.3249 24.2664 -19.1078 -23.8056 -21.4966 13.7635 TIMING: 4599600 CPU: 13314.2, 0.00289573/step Wall: 13314.2, 0.00289573/step, 0.32207 hours remaining, 210.355469 MB of memory in use. ENERGY: 4599600 790.6023 2130.8371 1934.5442 118.8284 -206187.2368 17617.3158 0.0000 0.0000 34018.6789 -149576.4302 297.0936 -183595.1091 -149478.1496 298.5085 -211.9696 -179.9276 557735.2634 6.7528 6.8104 PRESSURE: 4599800 41.0825 156.2 -92.8326 156.199 180.263 -30.5874 -92.8325 -30.5896 -122.669 GPRESSURE: 4599800 91.5846 79.978 -124.753 162.023 183.991 -9.82723 -125.381 -90.6752 -90.428 PRESSAVG: 4599800 -30.9236 53.1773 9.89929 53.1772 19.3618 -7.93122 9.89939 -7.93118 21.5548 GPRESSAVG: 4599800 -30.5005 53.1338 10.7521 50.9509 19.8221 -7.9836 11.3726 -8.32778 20.0224 TIMING: 4599800 CPU: 13314.8, 0.00292078/step Wall: 13314.8, 0.00292079/step, 0.324694 hours remaining, 210.355469 MB of memory in use. ENERGY: 4599800 790.2428 2129.2328 1929.6477 109.6163 -206530.6562 17880.3482 0.0000 0.0000 34082.8231 -149608.7452 297.6538 -183691.5683 -149522.0120 299.0230 32.8920 61.7158 555673.2774 3.3310 3.1147 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4600000 WRITING COORDINATES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4600000 211.934 17.2318 -29.7515 17.2308 114.488 -54.2025 -29.7503 -54.2015 -209.634 GPRESSURE: 4600000 172.598 -47.8832 -0.562893 72.7061 200.188 -79.0412 11.8433 4.50508 -158.927 PRESSAVG: 4600000 -0.95571 -39.9958 -4.99628 -39.9958 50.3026 -22.2084 -4.99623 -22.2085 -32.2598 GPRESSAVG: 4600000 -1.38553 -40.4674 -4.04112 -36.5153 50.8939 -23.5637 -4.76226 -23.4683 -31.6476 TIMING: 4600000 CPU: 13315.4, 0.0032631/step Wall: 13315.4, 0.0032631/step, 0.362567 hours remaining, 210.355469 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: 4600000 757.2493 2128.3027 1899.1005 122.7520 -206519.9313 17899.5681 0.0000 0.0000 34034.3471 -149678.6116 297.2304 -183712.9587 -149577.1549 298.1457 38.9293 71.2864 556550.4416 5.6957 5.9536 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 WRITING VELOCITIES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4600200 120.446 -2.80623 117.09 -2.80441 -148.622 -109.408 117.089 -109.409 -254.045 GPRESSURE: 4600200 144.308 29.2591 82.7496 -24.5154 -88.3526 -98.2483 148.476 -124.185 -244.878 PRESSAVG: 4600200 -37.5704 4.8541 13.1822 4.85414 44.9822 -15.6513 13.1821 -15.6513 45.74 GPRESSAVG: 4600200 -37.9152 3.5674 13.0089 4.22019 44.8647 -13.4815 11.0412 -14.0015 46.3221 TIMING: 4600200 CPU: 13316, 0.00291642/step Wall: 13316, 0.00291642/step, 0.323884 hours remaining, 210.355469 MB of memory in use. ENERGY: 4600200 734.0543 2080.3153 1922.2023 115.4512 -206213.0618 17586.3806 0.0000 0.0000 34131.0578 -149643.6004 298.0750 -183774.6582 -149544.6127 297.6807 -94.0738 -62.9741 556043.7103 17.7173 17.7572 LDB: ============= START OF LOAD BALANCING ============== 13319.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13319.4 LDB: =============== DONE WITH MIGRATION ================ 13319.4 LDB: ============= START OF LOAD BALANCING ============== 13319.7 LDB: Largest compute 4799 load 0.027500 is 23.3% of average load 0.118030 LDB: Average compute 0.001731 is 1.5% of average load 0.118030 LDB: TIME 13319.7 LOAD: AVG 0.11803 MAX 0.178982 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.637 MB LDB: TIME 13319.7 LOAD: AVG 0.11803 MAX 0.178982 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.637 MB LDB: TIME 13319.7 LOAD: AVG 0.11803 MAX 0.178982 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.637 MB LDB: ============== END OF LOAD BALANCING =============== 13319.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13319.7 PRESSURE: 4600400 43.6342 156.596 165.44 156.597 39.0235 50.5818 165.44 50.5829 -42.8047 GPRESSURE: 4600400 57.3226 136.633 93.3153 40.8245 67.6495 71.949 175.673 -15.7611 19.9622 PRESSAVG: 4600400 -19.7587 3.27834 23.1973 3.27839 36.9631 10.855 23.1974 10.8551 18.5847 GPRESSAVG: 4600400 -19.2953 4.55305 23.7975 3.28788 36.6301 10.9527 22.422 8.37101 18.6989 TIMING: 4600400 CPU: 13316.6, 0.00293474/step Wall: 13316.6, 0.00293473/step, 0.325756 hours remaining, 209.843750 MB of memory in use. ENERGY: 4600400 703.6921 2067.7446 1933.3766 113.7991 -206543.2709 17886.5695 0.0000 0.0000 34204.0999 -149633.9892 298.7129 -183838.0890 -149538.3977 298.4799 13.2843 48.3114 557290.6973 11.9297 12.0112 PRESSURE: 4600600 16.968 -129.719 -10.2899 -129.719 -42.4808 -42.5156 -10.2887 -42.5154 337.007 GPRESSURE: 4600600 25.3339 -127.501 -67.8605 -145.735 10.1265 -74.8695 -24.7308 -32.9232 374.284 PRESSAVG: 4600600 11.8281 -4.94236 21.1627 -4.94236 -0.35832 20.4011 21.1627 20.401 -8.60043 GPRESSAVG: 4600600 12.0944 -5.88684 18.3904 -5.0932 -0.101042 18.342 22.273 21.2345 -9.32191 TIMING: 4600600 CPU: 13317.2, 0.00290877/step Wall: 13317.2, 0.00290877/step, 0.322712 hours remaining, 209.843750 MB of memory in use. ENERGY: 4600600 744.8962 2070.4731 1928.1052 105.9454 -206763.8426 17927.4466 0.0000 0.0000 34508.2495 -149478.7265 301.3691 -183986.9760 -149387.3365 298.8790 103.8314 136.5815 556148.2053 0.9564 0.8905 PRESSURE: 4600800 -87.4519 119.185 18.126 119.185 150.367 187.696 18.125 187.697 104.374 GPRESSURE: 4600800 -14.4749 63.9925 -22.9313 137.223 157.504 151.129 52.0138 242.892 140.961 PRESSAVG: 4600800 -32.4537 11.8726 9.2843 11.8726 -10.2239 70.9943 9.2843 70.9944 76.4637 GPRESSAVG: 4600800 -32.353 12.3193 11.0127 12.7064 -11.25 72.3171 10.4984 70.7388 77.7329 TIMING: 4600800 CPU: 13317.8, 0.00291503/step Wall: 13317.8, 0.00291503/step, 0.323245 hours remaining, 209.843750 MB of memory in use. ENERGY: 4600800 720.1231 2042.7132 1938.1989 113.1800 -206297.7715 17902.3998 0.0000 0.0000 34196.4892 -149384.6671 298.6464 -183581.1563 -149293.9057 299.2313 55.7629 94.6633 557341.2919 11.2620 11.3766 PRESSURE: 4601000 -362.44 199.445 -100.062 199.446 -43.7089 117.679 -100.062 117.679 -282.056 GPRESSURE: 4601000 -360.025 184.553 -174.137 142.679 -48.7571 118.835 -25.6229 64.952 -174.317 PRESSAVG: 4601000 17.8498 37.058 -30.2134 37.058 16.913 26.4141 -30.2133 26.4141 9.95516 GPRESSAVG: 4601000 16.8142 36.6456 -30.7136 36.8767 18.1574 24.9428 -30.3046 28.393 9.48188 TIMING: 4601000 CPU: 13318.3, 0.00293044/step Wall: 13318.3, 0.00293044/step, 0.32479 hours remaining, 209.843750 MB of memory in use. ENERGY: 4601000 740.6885 2059.6723 1913.4402 125.8738 -205896.5435 17440.2578 0.0000 0.0000 34099.4707 -149517.1402 297.7992 -183616.6109 -149415.2612 298.9550 -229.4015 -194.3664 557057.0680 14.9060 14.8178 PRESSURE: 4601200 49.9957 97.2112 11.8035 97.2113 -189.722 175.35 11.8028 175.35 47.3225 GPRESSURE: 4601200 62.7837 123.878 -5.92593 177.922 -126.232 229.776 41.8846 131.198 71.2112 PRESSAVG: 4601200 -46.0573 40.5152 -32.6942 40.5152 9.60663 -45.4793 -32.6943 -45.4793 60.5663 GPRESSAVG: 4601200 -46.4392 40.7844 -31.8365 41.0942 10.1887 -43.8938 -30.9113 -46.0555 60.4051 TIMING: 4601200 CPU: 13318.9, 0.00288231/step Wall: 13318.9, 0.00288231/step, 0.319296 hours remaining, 209.843750 MB of memory in use. ENERGY: 4601200 751.9172 2005.6965 1908.0045 103.1720 -206197.7930 17692.6566 0.0000 0.0000 34120.3614 -149615.9849 297.9816 -183736.3463 -149520.3779 298.3500 -30.8011 2.5877 556235.3251 8.0385 8.0515 PRESSURE: 4601400 -4.5538 -49.9068 96.2002 -49.9075 43.5368 9.1024 96.2008 9.10202 -65.4815 GPRESSURE: 4601400 24.7512 -78.4602 115.078 -23.4159 26.2487 77.009 31.4981 -109.449 35.5124 PRESSAVG: 4601400 43.0239 -26.0688 -38.6278 -26.0688 -70.9717 74.8027 -38.6278 74.8027 46.345 GPRESSAVG: 4601400 43.863 -24.6286 -40.0382 -28.0971 -71.3184 75.4108 -39.5814 74.3176 46.4187 TIMING: 4601400 CPU: 13319.5, 0.00287909/step Wall: 13319.5, 0.00287909/step, 0.318779 hours remaining, 209.843750 MB of memory in use. ENERGY: 4601400 699.5568 2056.4491 1929.5820 121.7207 -206272.7323 17837.0797 0.0000 0.0000 34024.0519 -149604.2920 297.1405 -183628.3439 -149502.4799 298.0759 -8.8328 28.8375 556605.5912 6.1324 6.3211 PRESSURE: 4601600 -199.202 128.573 72.2138 128.573 119.541 29.6228 72.2151 29.6233 -170.091 GPRESSURE: 4601600 -115.036 182.162 -20.6061 97.1969 123.648 0.312561 144.283 82.7286 -151.559 PRESSAVG: 4601600 23.9733 -43.714 35.9922 -43.7141 12.392 -2.85417 35.9923 -2.85425 -30.0973 GPRESSAVG: 4601600 23.3199 -44.0316 38.077 -43.538 11.8556 -4.95789 35.2075 -0.580991 -29.4468 TIMING: 4601600 CPU: 13320.1, 0.00291492/step Wall: 13320.1, 0.00291492/step, 0.322585 hours remaining, 209.843750 MB of memory in use. ENERGY: 4601600 711.9270 2067.2225 1931.2757 98.3282 -206361.1635 17678.6398 0.0000 0.0000 34151.2889 -149722.4813 298.2517 -183873.7702 -149628.2815 297.9392 -83.2508 -47.6490 558014.6477 2.0893 1.9096 PRESSURE: 4601800 -163.795 -0.345739 50.5247 -0.345793 73.2127 -123.167 50.5263 -123.169 -172.315 GPRESSURE: 4601800 -126.796 29.6789 133.886 -30.7319 105.022 -88.9047 52.1189 -55.0794 -146.812 PRESSAVG: 4601800 -34.4925 21.7656 44.9992 21.7655 -1.1447 -36.9051 44.9991 -36.905 9.79858 GPRESSAVG: 4601800 -34.8741 21.2666 43.4778 22.1779 -0.573242 -36.0127 44.7283 -37.1332 9.21401 TIMING: 4601800 CPU: 13320.7, 0.00289828/step Wall: 13320.7, 0.00289828/step, 0.320582 hours remaining, 209.843750 MB of memory in use. ENERGY: 4601800 746.0036 2074.4672 1950.4184 106.1271 -206446.1012 17791.2981 0.0000 0.0000 34039.1793 -149738.6074 297.2726 -183777.7868 -149638.7405 297.6872 -87.6324 -56.1951 557170.9362 -8.6129 -8.7444 PRESSURE: 4602000 21.4825 -76.5766 -128.262 -76.5757 -9.56249 37.4984 -128.263 37.4969 7.25098 GPRESSURE: 4602000 -2.90022 -30.5029 -116.219 -158.788 46.4092 59.8207 -195.157 68.939 81.1857 PRESSAVG: 4602000 -22.9867 42.1647 -7.5224 42.1647 12.247 18.8218 -7.52252 18.8218 6.77665 GPRESSAVG: 4602000 -22.4877 43.2952 -7.64139 40.2216 11.5257 19.7425 -5.95863 16.1594 6.78417 TIMING: 4602000 CPU: 13321.2, 0.00288521/step Wall: 13321.2, 0.00288521/step, 0.318976 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4602000 773.3327 2043.0151 1943.6822 120.7329 -206684.9779 17904.0731 0.0000 0.0000 34257.8998 -149642.2422 299.1828 -183900.1420 -149540.5584 298.3392 6.3903 41.5649 556389.0956 -1.3210 -1.3926 PRESSURE: 4602200 15.0301 32.6119 28.7422 32.6111 138.501 262.63 28.7418 262.632 -124.575 GPRESSURE: 4602200 71.0179 -55.5957 45.9892 22.4592 87.5288 234.032 4.37949 219.013 -50.746 PRESSAVG: 4602200 36.4397 61.3424 -51.147 61.3423 -9.43939 22.6932 -51.1471 22.6932 -22.493 GPRESSAVG: 4602200 36.168 60.5284 -51.5881 61.5338 -8.94425 21.9318 -53.4264 22.6932 -22.7605 TIMING: 4602200 CPU: 13321.8, 0.00288734/step Wall: 13321.8, 0.00288734/step, 0.319052 hours remaining, 209.843750 MB of memory in use. ENERGY: 4602200 754.3834 2108.0927 1936.2920 111.8711 -206063.0608 17615.8136 0.0000 0.0000 34181.8638 -149354.7441 298.5187 -183536.6079 -149259.4266 298.3453 9.6520 35.9336 556631.8516 1.5025 1.4877 PRESSURE: 4602400 -451.695 -96.8311 -41.0235 -96.8299 -51.9418 62.4383 -41.0252 62.4391 -222.643 GPRESSURE: 4602400 -424.83 -46.648 -141.385 -106.08 -65.3026 -128.087 42.291 130.723 -149.204 PRESSAVG: 4602400 -46.4569 43.7988 -45.1422 43.7987 58.6373 9.65334 -45.1421 9.65326 -41.6963 GPRESSAVG: 4602400 -46.6239 42.1394 -45.0854 47.7589 58.4785 11.0775 -41.939 10.8976 -40.8689 TIMING: 4602400 CPU: 13322.4, 0.00289997/step Wall: 13322.4, 0.00289997/step, 0.320286 hours remaining, 209.843750 MB of memory in use. ENERGY: 4602400 736.5051 2081.2372 1946.0746 112.0378 -206182.3893 17457.6187 0.0000 0.0000 34475.5237 -149373.3922 301.0833 -183848.9159 -149278.1236 298.2929 -242.0933 -213.1120 556618.5069 -9.8387 -9.6714 PRESSURE: 4602600 36.0577 120.874 -79.7706 120.873 56.5881 71.3166 -79.7711 71.3175 -141.453 GPRESSURE: 4602600 63.7438 175.285 45.3188 105.191 110.793 95.4744 -178.107 101.182 -119.169 PRESSAVG: 4602600 -34.0211 13.4766 4.39656 13.4765 -8.69468 23.203 4.39657 23.203 48.8468 GPRESSAVG: 4602600 -33.1889 14.5875 5.75286 11.8168 -8.74669 21.3848 3.51165 23.7384 48.4901 TIMING: 4602600 CPU: 13323, 0.0028897/step Wall: 13323, 0.0028897/step, 0.31899 hours remaining, 209.843750 MB of memory in use. ENERGY: 4602600 779.9603 2093.0076 1949.9490 104.9970 -206184.7428 17902.6897 0.0000 0.0000 34274.4321 -149079.7071 299.3271 -183354.1393 -148979.3177 299.8591 -16.2690 18.4561 558251.1933 2.0437 2.1848 PRESSURE: 4602800 -414.605 -5.9315 -29.5576 -5.9309 -264.98 42.4654 -29.558 42.4643 -46.275 GPRESSURE: 4602800 -371.555 27.3919 -37.8559 15.6036 -235.784 -48.561 33.0589 79.5151 -28.8685 PRESSAVG: 4602800 7.72302 2.69449 3.24003 2.69453 16.2448 33.7885 3.24 33.7885 10.8185 GPRESSAVG: 4602800 7.8656 3.16785 3.95164 2.22808 16.0452 32.7985 3.11674 32.0794 10.5003 TIMING: 4602800 CPU: 13323.5, 0.00288055/step Wall: 13323.5, 0.00288055/step, 0.317821 hours remaining, 209.843750 MB of memory in use. ENERGY: 4602800 758.1174 2121.0771 1964.2168 117.5686 -205594.2485 17366.3329 0.0000 0.0000 34352.1912 -148914.7445 300.0062 -183266.9357 -148822.4557 299.8229 -241.9535 -212.0693 558642.5607 11.5954 11.4704 PRESSURE: 4603000 -58.4059 -146.432 -15.1729 -146.432 -127.102 14.019 -15.1729 14.0206 -125.933 GPRESSURE: 4603000 4.76224 -163.541 -60.8033 -191.223 -108.824 -7.18648 -56.5993 5.8629 -109.034 PRESSAVG: 4603000 -26.6877 -50.279 7.91618 -50.2789 -19.9368 -28.355 7.91615 -28.3551 39.214 GPRESSAVG: 4603000 -28.258 -50.0922 5.89689 -51.1388 -19.7537 -26.9712 9.29379 -28.8944 40.2785 TIMING: 4603000 CPU: 13324.1, 0.00291927/step Wall: 13324.1, 0.00291927/step, 0.321931 hours remaining, 209.843750 MB of memory in use. ENERGY: 4603000 758.0305 2064.9407 1946.1132 121.4741 -205533.6389 17543.3279 0.0000 0.0000 34324.6856 -148775.0670 299.7660 -183099.7526 -148685.7718 300.8603 -103.8135 -71.0319 557595.2668 -2.4702 -2.5778 PRESSURE: 4603200 61.8226 257.609 -39.3626 257.61 24.7933 20.0634 -39.3619 20.0624 236.684 GPRESSURE: 4603200 60.4403 267.185 26.6026 227.934 48.9314 50.0728 -20.7717 -72.8797 315.667 PRESSAVG: 4603200 6.86383 -29.1062 -11.4212 -29.1062 -79.2636 -12.7788 -11.4212 -12.7789 74.5992 GPRESSAVG: 4603200 7.2079 -29.434 -9.99596 -27.7449 -78.6726 -15.4626 -13.522 -11.0758 73.4052 TIMING: 4603200 CPU: 13324.7, 0.00291849/step Wall: 13324.7, 0.00291849/step, 0.321683 hours remaining, 209.843750 MB of memory in use. ENERGY: 4603200 771.2216 2128.0700 1928.6083 110.9762 -205957.8555 17993.8168 0.0000 0.0000 34378.5343 -148646.6283 300.2363 -183025.1626 -148550.6085 300.0540 107.7666 141.6797 557685.5358 0.7331 0.6468 PRESSURE: 4603400 -88.8524 -4.63311 137.785 -4.63455 36.1323 -35.7414 137.786 -35.7411 50.177 GPRESSURE: 4603400 -24.4164 9.88006 115.606 38.1376 82.4517 -3.02918 103.969 -124.35 33.986 PRESSAVG: 4603400 45.1263 -27.9882 54.338 -27.9881 -52.8963 -5.87061 54.338 -5.8706 13.4027 GPRESSAVG: 4603400 46.5339 -28.1229 53.7281 -28.573 -53.3351 -2.87838 54.7923 -7.45337 12.5652 TIMING: 4603400 CPU: 13325.3, 0.00289751/step Wall: 13325.3, 0.00289751/step, 0.319209 hours remaining, 209.843750 MB of memory in use. ENERGY: 4603400 732.6026 2052.2185 1921.7003 97.3187 -205804.2173 17832.2233 0.0000 0.0000 34297.1405 -148871.0135 299.5255 -183168.1540 -148777.2513 300.2435 -0.8477 30.6738 557028.7107 1.8776 1.9213 PRESSURE: 4603600 -60.3493 65.5984 268.598 65.5974 377.653 61.8755 268.596 61.8745 -245.566 GPRESSURE: 4603600 -8.89027 34.2393 361.314 56.6686 344.968 138.121 253.306 87.3095 -178.693 PRESSAVG: 4603600 -33.3085 -8.02892 38.3831 -8.02883 -23.6481 8.49086 38.3831 8.49078 30.674 GPRESSAVG: 4603600 -34.3652 -10.1977 38.3722 -6.47455 -24.7321 7.58188 38.2499 8.73364 32.6257 TIMING: 4603600 CPU: 13325.9, 0.00289463/step Wall: 13325.9, 0.00289463/step, 0.318731 hours remaining, 209.843750 MB of memory in use. ENERGY: 4603600 769.9950 2062.0409 1944.7905 116.6435 -206232.2417 17961.6343 0.0000 0.0000 34363.7700 -149013.3675 300.1074 -183377.1375 -148922.2346 300.0270 23.9125 52.4617 556445.1262 -8.7609 -8.8239 PRESSURE: 4603800 -116.34 89.5595 -46.8914 89.5596 -213.894 -75.2135 -46.8922 -75.2141 -222.905 GPRESSURE: 4603800 -123.723 20.2198 -35.6989 68.2581 -192.202 -77.2985 -110.983 -43.7 -137.484 PRESSAVG: 4603800 23.9634 -23.8105 40.1428 -23.8104 40.4377 26.3116 40.1428 26.3116 -36.9679 GPRESSAVG: 4603800 23.766 -25.3939 41.334 -24.6569 42.6533 26.5739 40.7553 25.0979 -38.6284 TIMING: 4603800 CPU: 13326.4, 0.00287944/step Wall: 13326.4, 0.00287944/step, 0.316898 hours remaining, 209.843750 MB of memory in use. ENERGY: 4603800 772.6326 2097.3999 1928.0267 116.2319 -206322.9476 17761.9492 0.0000 0.0000 34503.5011 -149143.2061 301.3277 -183646.7072 -149050.9513 300.2933 -184.3799 -151.1362 556760.3476 9.1444 9.2636 PRESSURE: 4604000 -182.95 -12.5517 216.396 -12.5514 -280.678 -31.0968 216.396 -31.097 -189.568 GPRESSURE: 4604000 -184.218 -15.685 231.955 19.4522 -230.544 17.4046 184.821 -32.9823 -142.97 PRESSAVG: 4604000 -1.27472 -16.9997 -15.7654 -16.9997 13.3679 4.71035 -15.7654 4.71027 47.8326 GPRESSAVG: 4604000 0.15109 -13.9469 -13.7236 -16.9466 11.506 3.00551 -18.0007 6.1202 48.2331 TIMING: 4604000 CPU: 13327, 0.00291075/step Wall: 13327, 0.00291075/step, 0.320183 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4604000 732.4809 2082.2493 1945.9400 99.3147 -205672.3319 17229.7100 0.0000 0.0000 34356.1154 -149226.5216 300.0405 -183582.6370 -149124.6751 299.6368 -217.7321 -185.9106 556478.7448 19.9753 19.9634 PRESSURE: 4604200 -124.425 70.6013 50.4361 70.6027 53.0433 -66.6704 50.4366 -66.6707 134.396 GPRESSURE: 4604200 -100.62 56.0116 49.4058 146.432 118.164 -114.267 73.0188 -73.6636 145.054 PRESSAVG: 4604200 -46.7515 38.9886 18.5514 38.9887 39.427 0.786333 18.5514 0.786368 25.6212 GPRESSAVG: 4604200 -47.6003 39.2962 14.7795 38.9655 41.6949 0.890436 20.2648 0.713011 24.7095 TIMING: 4604200 CPU: 13327.6, 0.00289284/step Wall: 13327.6, 0.00289284/step, 0.318052 hours remaining, 209.843750 MB of memory in use. ENERGY: 4604200 755.4440 2137.6819 1924.8447 108.4292 -206204.7020 17786.6271 0.0000 0.0000 34493.1881 -148998.4871 301.2376 -183491.6752 -148893.1050 299.4154 21.0049 54.1994 557861.7611 6.0989 6.2680 LDB: ============= START OF LOAD BALANCING ============== 13331 LDB: ============== END OF LOAD BALANCING =============== 13331 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13331 LDB: ============= START OF LOAD BALANCING ============== 13331.3 LDB: Largest compute 4799 load 0.026733 is 22.7% of average load 0.118012 LDB: Average compute 0.001728 is 1.5% of average load 0.118012 LDB: TIME 13331.3 LOAD: AVG 0.118012 MAX 0.178109 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 13331.3 LOAD: AVG 0.118012 MAX 0.178109 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: TIME 13331.3 LOAD: AVG 0.118012 MAX 0.178109 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: ============== END OF LOAD BALANCING =============== 13331.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13331.3 PRESSURE: 4604400 210.254 -91.9021 11.1348 -91.9019 239.982 31.0955 11.1344 31.0958 211.501 GPRESSURE: 4604400 202.841 -16.7036 -80.8843 -127.531 244.796 -34.3451 51.9402 32.1101 316.059 PRESSAVG: 4604400 -42.3818 20.7959 4.12578 20.7958 -1.09782 -8.1922 4.12585 -8.19232 58.455 GPRESSAVG: 4604400 -41.9146 17.8603 5.79128 20.4945 -2.35901 -5.63058 2.71345 -8.63255 59.4007 TIMING: 4604400 CPU: 13328.2, 0.00294604/step Wall: 13328.2, 0.00294604/step, 0.323737 hours remaining, 211.503906 MB of memory in use. ENERGY: 4604400 745.0012 2132.0314 1956.5311 106.9493 -206588.0581 18296.8209 0.0000 0.0000 34424.9146 -148925.8094 300.6413 -183350.7241 -148832.6713 300.2776 220.5792 254.5651 557096.2782 4.9918 5.0424 PRESSURE: 4604600 -390.739 13.0369 -18.1608 13.0382 -287.943 48.5832 -18.1606 48.5841 -192.949 GPRESSURE: 4604600 -380.848 56.5279 -71.0962 -12.0042 -261.466 23.4262 24.2556 -1.8005 -134.15 PRESSAVG: 4604600 -11.2098 41.4203 -1.64895 41.4203 46.5048 20.2834 -1.64897 20.2834 -37.4545 GPRESSAVG: 4604600 -11.9903 44.7967 -2.16865 41.8736 47.4673 21.4241 -3.64273 20.1264 -37.2101 TIMING: 4604600 CPU: 13328.8, 0.0028989/step Wall: 13328.8, 0.0028989/step, 0.318396 hours remaining, 211.707031 MB of memory in use. ENERGY: 4604600 738.1733 2109.5925 1940.1842 126.3430 -205397.2178 17305.0626 0.0000 0.0000 34166.8648 -149010.9974 298.3877 -183177.8622 -148921.0101 299.8283 -290.5436 -258.8213 558982.6026 -0.7198 -0.5777 PRESSURE: 4604800 -199.908 -103.343 -135.419 -103.344 -97.2956 -0.0811056 -135.418 -0.0801163 -71.704 GPRESSURE: 4604800 -158.986 -174.693 -95.2826 -144.498 -35.5824 -6.48447 -128.507 0.669297 -69.272 PRESSAVG: 4604800 -36.7223 0.886183 35.5727 0.886261 70.3027 -4.30449 35.5728 -4.30458 4.28415 GPRESSAVG: 4604800 -35.9662 -0.976399 36.8667 1.17254 70.8924 -6.97844 38.1978 -3.00079 2.96793 TIMING: 4604800 CPU: 13329.4, 0.00291308/step Wall: 13329.4, 0.00291308/step, 0.319791 hours remaining, 211.707031 MB of memory in use. ENERGY: 4604800 767.6998 2111.8422 1950.9139 113.2593 -205795.1043 17522.4074 0.0000 0.0000 34154.3940 -149174.5877 298.2788 -183328.9817 -149079.7288 299.7569 -122.9693 -87.9470 558859.9185 12.6215 12.6314 PRESSURE: 4605000 100.811 -100.934 -11.8098 -100.934 284.832 -10.0858 -11.8103 -10.0859 134.612 GPRESSURE: 4605000 132.482 -103.048 -104.386 -124.315 342.834 -14.8745 64.1743 -46.269 137.931 PRESSAVG: 4605000 -53.1093 -24.5299 10.9783 -24.5299 38.8119 4.72272 10.9783 4.72279 30.7763 GPRESSAVG: 4605000 -53.3782 -24.568 10.1643 -24.0607 38.6154 6.66697 11.3581 0.881764 31.3771 TIMING: 4605000 CPU: 13329.9, 0.00289816/step Wall: 13329.9, 0.00289816/step, 0.317992 hours remaining, 211.707031 MB of memory in use. ENERGY: 4605000 781.0477 2084.3046 1965.7463 120.3645 -206595.6650 18159.2498 0.0000 0.0000 34145.2137 -149339.7384 298.1986 -183484.9521 -149246.2970 298.7214 173.4183 204.4160 557447.9573 5.4930 5.5381 PRESSURE: 4605200 -190.309 -102.479 5.16872 -102.48 -162.978 -32.0458 5.17011 -32.0474 134.857 GPRESSURE: 4605200 -134.848 -57.3847 65.5173 -137.074 -95.5083 -40.206 20.2567 12.4168 110.443 PRESSAVG: 4605200 -37.8903 35.0505 -31.101 35.0505 -32.6377 -12.7256 -31.101 -12.7256 51.0139 GPRESSAVG: 4605200 -37.5841 36.3623 -31.2189 35.1151 -32.7718 -15.2452 -33.3861 -8.18478 50.6999 TIMING: 4605200 CPU: 13330.5, 0.0028738/step Wall: 13330.5, 0.0028738/step, 0.31516 hours remaining, 211.707031 MB of memory in use. ENERGY: 4605200 782.7071 2054.3684 1926.8548 113.5760 -206400.0436 17824.3603 0.0000 0.0000 34260.4788 -149437.6981 299.2053 -183698.1769 -149339.8505 298.7907 -72.8100 -39.9711 556484.2780 -6.5047 -6.5520 PRESSURE: 4605400 -97.1504 27.0176 -101.452 27.0179 -57.564 -269.889 -101.452 -269.887 112.226 GPRESSURE: 4605400 -50.8859 -41.4687 -87.3267 46.7702 -19.8687 -233.055 -207.272 -261.668 128.776 PRESSAVG: 4605400 37.0357 6.00505 67.033 6.00516 5.00396 -49.7914 67.0331 -49.7915 35.5975 GPRESSAVG: 4605400 37.111 6.34645 65.5381 5.14547 3.60002 -49.703 70.154 -51.0411 36.8294 TIMING: 4605400 CPU: 13331.1, 0.00292226/step Wall: 13331.1, 0.00292226/step, 0.320312 hours remaining, 211.707031 MB of memory in use. ENERGY: 4605400 727.7813 2134.6032 1927.8109 122.4370 -206098.6707 17729.5065 0.0000 0.0000 34115.5670 -149340.9648 297.9397 -183456.5318 -149249.8578 298.6732 -14.1627 19.3405 557342.9748 25.8790 25.8468 PRESSURE: 4605600 104.099 95.1624 -160.583 95.1608 -162.234 101.116 -160.583 101.115 -127.565 GPRESSURE: 4605600 125.252 33.495 -207.191 5.66102 -142.595 175.357 -144.725 14.5835 -65.1604 PRESSAVG: 4605600 -35.2229 61.8688 -32.2265 61.8689 -14.7185 -65.343 -32.2266 -65.343 34.6962 GPRESSAVG: 4605600 -35.2726 59.2533 -30.3326 62.301 -15.2188 -62.892 -34.5927 -65.2063 35.0179 TIMING: 4605600 CPU: 13331.7, 0.00289237/step Wall: 13331.7, 0.00289237/step, 0.316875 hours remaining, 211.707031 MB of memory in use. ENERGY: 4605600 729.2690 2055.8150 1945.0623 133.0317 -206229.4726 17786.1605 0.0000 0.0000 34259.5380 -149320.5961 299.1971 -183580.1341 -149226.2771 299.0861 -61.8996 -27.5010 556966.9562 -5.0817 -5.1578 PRESSURE: 4605800 97.8474 -31.6706 37.0549 -31.6718 -163.754 -21.9616 37.0567 -21.9611 -135.023 GPRESSURE: 4605800 126.26 -93.847 23.0375 -63.1257 -126.42 12.8656 46.0645 -91.7724 -95.3662 PRESSAVG: 4605800 2.40847 -32.4889 -29.8157 -32.4889 7.73665 -39.3203 -29.8157 -39.3202 -11.406 GPRESSAVG: 4605800 1.09388 -32.0124 -31.025 -32.6495 9.56056 -39.5253 -29.6694 -40.4399 -11.6777 TIMING: 4605800 CPU: 13332.3, 0.00289255/step Wall: 13332.3, 0.00289255/step, 0.316735 hours remaining, 211.707031 MB of memory in use. ENERGY: 4605800 745.1398 2104.2764 1937.9115 109.1800 -206091.9528 17614.5703 0.0000 0.0000 34220.0858 -149360.7891 298.8525 -183580.8748 -149266.0335 298.9973 -66.9764 -31.8421 557986.1753 -0.4203 -0.3411 PRESSURE: 4606000 106.335 -58.8332 -231.158 -58.8339 296.738 -12.5719 -231.158 -12.5717 72.5791 GPRESSURE: 4606000 120.757 -65.6319 -161.657 18.3385 326.205 93.3953 -210.246 -127.495 128.993 PRESSAVG: 4606000 35.7276 -4.94911 21.6573 -4.94903 46.8055 2.52267 21.6572 2.52255 -82.3685 GPRESSAVG: 4606000 36.6889 -3.32895 21.7003 -4.44856 47.7269 2.37435 21.9671 2.42715 -84.3219 TIMING: 4606000 CPU: 13332.8, 0.00289832/step Wall: 13332.8, 0.00289832/step, 0.317205 hours remaining, 211.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4606000 751.7897 2089.2670 1950.1455 105.2043 -206610.0674 18088.5274 0.0000 0.0000 34317.6147 -149307.5189 299.7043 -183625.1336 -149212.0934 299.5364 158.5508 191.9848 556150.3525 0.0548 0.0313 PRESSURE: 4606200 -26.811 -70.919 80.1769 -70.9199 -65.1651 8.3834 80.1765 8.38299 80.1773 GPRESSURE: 4606200 -7.0311 -74.373 117.374 -70.1373 -13.4736 40.4542 123.204 18.9846 117.906 PRESSAVG: 4606200 20.5979 -45.6611 8.04058 -45.661 -10.4733 -30.8041 8.0406 -30.8042 -18.1993 GPRESSAVG: 4606200 19.9626 -48.2852 9.64121 -45.8022 -11.966 -31.5613 6.48621 -29.9419 -16.1121 TIMING: 4606200 CPU: 13333.4, 0.00287227/step Wall: 13333.4, 0.00287227/step, 0.314195 hours remaining, 211.707031 MB of memory in use. ENERGY: 4606200 701.9649 2140.8836 1941.0640 120.3817 -206314.7928 17789.3295 0.0000 0.0000 34350.6656 -149270.5035 299.9929 -183621.1691 -149182.7587 299.3309 -3.9330 32.4672 556084.5801 -2.6916 -2.7052 PRESSURE: 4606400 -56.1909 -95.4854 89.8825 -95.4841 191.518 -149.709 89.8825 -149.709 73.0787 GPRESSURE: 4606400 -36.9644 -112.064 1.37121 -47.9951 249.05 -108.455 52.2326 -127.136 89.6938 PRESSAVG: 4606400 -44.2583 65.5108 -65.5893 65.5108 61.662 -42.3898 -65.5894 -42.3898 -25.8777 GPRESSAVG: 4606400 -43.3394 65.3251 -66.7926 66.4898 60.6734 -42.4903 -65.7443 -43.1044 -25.7737 TIMING: 4606400 CPU: 13334, 0.0029039/step Wall: 13334, 0.0029039/step, 0.317493 hours remaining, 211.707031 MB of memory in use. ENERGY: 4606400 709.2635 2103.1402 1929.1765 107.0452 -206461.2885 17825.7241 0.0000 0.0000 34434.1817 -149352.7572 300.7223 -183786.9389 -149252.1074 299.0292 69.4685 100.5933 556371.2782 -2.8246 -2.8132 PRESSURE: 4606600 35.8663 -33.4516 22.3178 -33.4508 -121.451 -111.654 22.3183 -111.655 35.0628 GPRESSURE: 4606600 99.1591 14.664 3.04833 -36.8138 -106.422 -108.901 6.60686 -143.882 63.4244 PRESSAVG: 4606600 32.2081 15.969 -1.57155 15.9689 43.6133 18.9416 -1.5716 18.9415 -38.6744 GPRESSAVG: 4606600 32.2221 17.1134 -0.243353 17.3085 43.9689 19.3281 -1.51659 18.9985 -39.47 TIMING: 4606600 CPU: 13334.6, 0.00288262/step Wall: 13334.6, 0.00288262/step, 0.315006 hours remaining, 211.707031 MB of memory in use. ENERGY: 4606600 745.5749 2089.5311 1958.3780 117.4820 -206335.0113 17847.1768 0.0000 0.0000 34220.0535 -149356.8150 298.8522 -183576.8684 -149256.8185 299.4332 -16.8406 18.7204 556647.6778 12.3823 12.2403 PRESSURE: 4606800 -180.368 -31.6321 -45.289 -31.6331 -24.28 168.269 -45.2895 168.269 66.7497 GPRESSURE: 4606800 -172.328 -77.5809 -21.4798 -39.9091 66.3903 179.466 -61.2931 158.587 74.2492 PRESSAVG: 4606800 58.6999 -38.1418 -25.3701 -38.1418 3.75943 48.6572 -25.3701 48.6573 -53.8593 GPRESSAVG: 4606800 58.4895 -36.7775 -25.0728 -39.5075 3.79025 48.4461 -24.6587 49.2672 -53.8157 TIMING: 4606800 CPU: 13335.1, 0.00287867/step Wall: 13335.1, 0.00287867/step, 0.314415 hours remaining, 211.707031 MB of memory in use. ENERGY: 4606800 762.9092 2159.5059 1949.3556 112.1558 -206056.4816 17627.4677 0.0000 0.0000 34119.5232 -149325.5641 297.9743 -183445.0873 -149226.9509 299.1772 -45.9661 -10.5627 555061.8295 2.8667 2.8213 PRESSURE: 4607000 -144.985 -28.6412 -36.9051 -28.6412 -235.378 133.435 -36.903 133.435 217.8 GPRESSURE: 4607000 -157.024 -103.528 -62.5551 16.5557 -212.185 209.282 -33.3547 148.186 302.296 PRESSAVG: 4607000 25.554 0.664018 20.0422 0.663895 -57.9069 26.6316 20.0422 26.6315 65.2636 GPRESSAVG: 4607000 24.9257 -1.29087 18.2755 0.914041 -56.268 26.2232 19.7687 27.7612 63.5897 TIMING: 4607000 CPU: 13335.7, 0.00287826/step Wall: 13335.7, 0.00287826/step, 0.314211 hours remaining, 211.707031 MB of memory in use. ENERGY: 4607000 740.3294 2159.7766 1948.8540 110.7771 -206074.9581 17601.2935 0.0000 0.0000 34269.6468 -149244.2807 299.2853 -183513.9275 -149147.9107 299.6406 -54.1875 -22.3044 556546.4726 10.9703 10.7492 PRESSURE: 4607200 -165.003 134.374 6.15204 134.374 -182.787 10.1967 6.15209 10.195 -227.264 GPRESSURE: 4607200 -142.395 186.222 60.9666 97.3621 -128.024 -58.5661 -38.2541 58.117 -202.037 PRESSAVG: 4607200 -52.1668 26.969 62.1962 26.9691 40.522 5.72124 62.1962 5.7213 2.7518 GPRESSAVG: 4607200 -51.8125 29.4287 62.6441 24.9993 39.2743 5.77658 62.0036 5.87442 3.72437 TIMING: 4607200 CPU: 13336.3, 0.00288029/step Wall: 13336.3, 0.00288029/step, 0.314271 hours remaining, 211.707031 MB of memory in use. ENERGY: 4607200 712.3374 2204.5303 1963.0790 107.7293 -205839.4571 17396.0017 0.0000 0.0000 34260.7030 -149195.0764 299.2072 -183455.7795 -149100.9732 299.1086 -191.6847 -157.4855 557061.4703 -2.9643 -2.9379 PRESSURE: 4607400 -74.6876 -171.779 155.628 -171.779 193.543 -34.5761 155.627 -34.5755 253.249 GPRESSURE: 4607400 -20.5639 -95.8511 199.665 -247.524 240.651 36.6595 46.0341 47.6412 240.932 PRESSAVG: 4607400 63.8581 21.5274 6.04895 21.5274 -35.2443 -48.4897 6.04884 -48.4897 1.13164 GPRESSAVG: 4607400 63.6713 19.4166 7.03835 21.5969 -35.1971 -49.4741 3.90925 -50.215 1.3177 TIMING: 4607400 CPU: 13336.9, 0.0029001/step Wall: 13336.9, 0.0029001/step, 0.316272 hours remaining, 211.707031 MB of memory in use. ENERGY: 4607400 706.4354 2146.4280 1948.8147 107.0566 -206326.3599 17939.9627 0.0000 0.0000 34368.6856 -149108.9771 300.1503 -183477.6627 -149016.7741 299.9187 124.0350 153.6733 557512.3957 9.9151 9.9306 PRESSURE: 4607600 -321.959 64.6396 -66.1834 64.6398 43.0964 -39.7225 -66.1817 -39.7222 107.383 GPRESSURE: 4607600 -255.472 14.8387 -47.5765 86.5456 70.2216 -88.9399 -33.6107 -41.2578 96.6146 PRESSAVG: 4607600 -30.0714 39.231 1.60647 39.231 27.7537 60.4412 1.60649 60.4414 34.1558 GPRESSAVG: 4607600 -29.8062 40.4254 0.240917 39.7956 27.1733 62.4602 3.48211 60.0568 34.2563 TIMING: 4607600 CPU: 13337.4, 0.00288022/step Wall: 13337.4, 0.00288022/step, 0.313944 hours remaining, 211.707031 MB of memory in use. ENERGY: 4607600 729.0150 2177.3664 1975.9374 122.5081 -206411.2940 17795.3308 0.0000 0.0000 34409.2613 -149201.8750 300.5046 -183611.1363 -149100.3554 300.2053 -57.1599 -29.5454 558654.4074 10.6127 10.5411 PRESSURE: 4607800 99.4382 -195.917 -98.4476 -195.918 312.29 -191.872 -98.4478 -191.871 55.1109 GPRESSURE: 4607800 117.733 -172.186 -145.237 -176.905 316.252 -276.832 -87.8999 -137.811 133.641 PRESSAVG: 4607800 -34.9591 -39.5219 -8.91383 -39.5218 44.0206 -30.6298 -8.91384 -30.6298 -29.0412 GPRESSAVG: 4607800 -35.9145 -40.6531 -7.26793 -38.6291 44.6001 -31.4013 -8.42734 -30.7082 -28.2781 TIMING: 4607800 CPU: 13338, 0.00287822/step Wall: 13338, 0.00287822/step, 0.313566 hours remaining, 211.707031 MB of memory in use. ENERGY: 4607800 752.9511 2091.9827 1959.3527 118.2741 -206381.0813 18093.1642 0.0000 0.0000 34363.4713 -149001.8852 300.1047 -183365.3565 -148908.3669 300.3006 155.6130 189.2086 558880.3749 -6.6599 -6.5308 PRESSURE: 4608000 126.924 -95.3683 -24.414 -95.3675 -20.6089 -149.126 -24.4157 -149.127 415.484 GPRESSURE: 4608000 103.727 -61.2684 -49.6567 -108.209 65.318 -188.72 -11.0163 -109.282 455.761 PRESSAVG: 4608000 -18.2152 -22.6319 -35.0805 -22.6319 32.6901 10.5024 -35.0805 10.5024 -17.4923 GPRESSAVG: 4608000 -18.3216 -20.2337 -36.7066 -23.8419 33.7072 12.3457 -34.3131 11.2989 -18.4499 TIMING: 4608000 CPU: 13338.6, 0.00289264/step Wall: 13338.6, 0.00289264/step, 0.314977 hours remaining, 211.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4608000 732.3261 2126.5862 1974.5253 129.4561 -206633.7201 18330.9386 0.0000 0.0000 34317.2999 -149022.5879 299.7015 -183339.8878 -148932.1657 299.8695 173.9332 208.2685 559575.2326 -1.0058 -1.0214 PRESSURE: 4608200 -193.835 -77.7585 -116.074 -77.7583 -177.716 -44.128 -116.074 -44.1262 -283.799 GPRESSURE: 4608200 -209.241 -72.133 -79.9561 -153.992 -161.165 -78.1509 -152.057 -58.7001 -193.035 PRESSAVG: 4608200 -10.9125 -4.21371 37.7866 -4.21374 -12.7079 16.4672 37.7866 16.4674 20.1527 GPRESSAVG: 4608200 -11.0668 -5.57345 39.4831 -3.79231 -13.8797 14.3307 37.3537 17.3037 21.3556 TIMING: 4608200 CPU: 13339.2, 0.00286992/step Wall: 13339.2, 0.00286992/step, 0.312343 hours remaining, 211.707031 MB of memory in use. ENERGY: 4608200 763.8455 2132.0373 1952.3080 120.4720 -205816.0454 17552.0380 0.0000 0.0000 34224.1348 -149071.2098 298.8879 -183295.3446 -148970.8947 299.9335 -218.4498 -187.8138 559016.5164 -1.1559 -1.1970 LDB: ============= START OF LOAD BALANCING ============== 13342.6 LDB: ============== END OF LOAD BALANCING =============== 13342.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13342.6 LDB: ============= START OF LOAD BALANCING ============== 13342.9 LDB: Largest compute 4772 load 0.026169 is 22.2% of average load 0.117980 LDB: Average compute 0.001727 is 1.5% of average load 0.117980 LDB: TIME 13342.9 LOAD: AVG 0.11798 MAX 0.180662 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.645 MB LDB: TIME 13342.9 LOAD: AVG 0.11798 MAX 0.180662 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: TIME 13342.9 LOAD: AVG 0.11798 MAX 0.180662 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13342.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13342.9 PRESSURE: 4608400 -163.721 -170.666 140.478 -170.666 48.7255 -92.6119 140.478 -92.6118 72.2507 GPRESSURE: 4608400 -121.744 -182.225 148.768 -140.872 118.194 -93.9121 157.938 -82.3757 67.6108 PRESSAVG: 4608400 -6.05706 7.62662 57.8885 7.62667 -1.59139 -60.7117 57.8884 -60.7117 -29.8496 GPRESSAVG: 4608400 -4.60769 5.72612 57.2353 9.10535 -1.7952 -59.398 57.8611 -62.6819 -31.0625 TIMING: 4608400 CPU: 13339.8, 0.00295091/step Wall: 13339.8, 0.00295091/step, 0.320994 hours remaining, 212.730469 MB of memory in use. ENERGY: 4608400 752.3255 2103.2081 1955.2900 120.6493 -206404.1806 18052.1809 0.0000 0.0000 34310.2108 -149110.3161 299.6396 -183420.5269 -149014.6264 300.2131 -14.2482 21.3535 559546.7635 -12.4994 -12.4885 PRESSURE: 4608600 146.475 -217.512 113.838 -217.512 -154.658 46.3205 113.837 46.3201 -47.1513 GPRESSURE: 4608600 222.382 -218.348 95.7244 -157.869 -154.745 -35.3351 71.1776 65.9797 -31.3279 PRESSAVG: 4608600 37.0743 -2.10469 29.0133 -2.10475 29.9762 14.3547 29.0132 14.3547 -67.4696 GPRESSAVG: 4608600 36.7326 -1.42355 27.5577 -3.47598 29.9261 13.5915 28.8766 15.4995 -67.1091 TIMING: 4608600 CPU: 13340.3, 0.00289909/step Wall: 13340.3, 0.00289909/step, 0.315196 hours remaining, 212.730469 MB of memory in use. ENERGY: 4608600 762.7550 2123.3470 1976.0134 127.4738 -206410.3411 17892.7804 0.0000 0.0000 34216.6309 -149311.3408 298.8223 -183527.9716 -149214.9421 299.3098 -18.4446 12.1032 557647.5769 -0.1397 -0.1501 PRESSURE: 4608800 81.6947 100.09 183.735 100.089 -94.8782 -122.602 183.735 -122.602 -130.684 GPRESSURE: 4608800 106.625 148.238 214.583 129.461 -63.0888 -174.631 81.4295 -111.707 -77.7927 PRESSAVG: 4608800 -3.69521 -8.44073 43.6462 -8.44062 -40.2074 -8.47524 43.6462 -8.4751 28.5508 GPRESSAVG: 4608800 -3.31087 -6.80184 45.3653 -8.6504 -40.5631 -7.90651 41.6111 -10.1454 28.5833 TIMING: 4608800 CPU: 13340.9, 0.00288178/step Wall: 13340.9, 0.00288178/step, 0.313153 hours remaining, 212.730469 MB of memory in use. ENERGY: 4608800 726.0971 2097.2344 1959.2689 112.8758 -206183.2901 17818.3640 0.0000 0.0000 34416.3621 -149053.0877 300.5667 -183469.4499 -148955.2637 299.8881 -47.9559 -11.4188 557837.3726 -5.1173 -5.0969 PRESSURE: 4609000 149.341 105.421 -93.1263 105.422 134.015 -62.8155 -93.1249 -62.8163 53.3914 GPRESSURE: 4609000 187.314 21.7275 -68.748 132.143 211.698 -156.682 -157.216 -41.8815 43.0854 PRESSAVG: 4609000 29.624 13.9919 19.4307 13.9918 -34.5602 -18.8617 19.4307 -18.8617 31.7333 GPRESSAVG: 4609000 29.313 14.3784 19.4656 13.3713 -34.6552 -19.9229 18.7277 -17.4686 32.4816 TIMING: 4609000 CPU: 13341.5, 0.00288456/step Wall: 13341.5, 0.00288456/step, 0.313295 hours remaining, 212.730469 MB of memory in use. ENERGY: 4609000 711.4194 2138.0015 1935.1971 111.6715 -206402.2939 17900.8702 0.0000 0.0000 34427.5594 -149177.5749 300.6644 -183605.1342 -149083.3937 299.6845 112.2491 147.3660 555490.6499 8.9323 9.0465 PRESSURE: 4609200 314.661 -24.1787 122.515 -24.1781 30.2708 -82.1517 122.514 -82.152 -90.5034 GPRESSURE: 4609200 323.206 -58.3188 162.257 -81.9466 94.1023 -89.6356 148.321 -6.09186 -67.093 PRESSAVG: 4609200 16.1523 -14.6159 12.7589 -14.6158 23.852 -85.8648 12.7589 -85.8648 -81.5777 GPRESSAVG: 4609200 15.6094 -16.1872 11.4706 -14.7629 24.4047 -87.17 13.6843 -85.7761 -81.7176 TIMING: 4609200 CPU: 13342.1, 0.00292611/step Wall: 13342.1, 0.00292611/step, 0.317646 hours remaining, 212.730469 MB of memory in use. ENERGY: 4609200 715.2345 2070.2802 1936.1396 128.5065 -206348.0979 17726.7146 0.0000 0.0000 34516.3344 -149254.8882 301.4397 -183771.2226 -149152.5340 299.7858 84.8095 116.7384 556514.6778 -13.8578 -13.9012 PRESSURE: 4609400 184.515 121.785 102.353 121.784 326 108.028 102.353 108.027 139.876 GPRESSURE: 4609400 227.302 163.935 -19.3787 82.0103 409.401 108.709 178.565 139.239 108.307 PRESSAVG: 4609400 0.230027 -28.9052 9.79451 -28.905 -5.39495 36.9104 9.79456 36.9104 31.0383 GPRESSAVG: 4609400 0.739754 -28.3564 11.3536 -29.9674 -5.53224 39.2735 8.05933 36.8556 30.8887 TIMING: 4609400 CPU: 13342.7, 0.00289829/step Wall: 13342.7, 0.00289829/step, 0.314465 hours remaining, 212.730469 MB of memory in use. ENERGY: 4609400 749.7833 2058.7087 1951.8373 103.2954 -206529.6930 18168.9173 0.0000 0.0000 34367.7830 -149129.3680 300.1424 -183497.1510 -149027.6357 299.8856 216.7968 248.3366 556274.9957 8.6245 8.6987 PRESSURE: 4609600 -231.915 -66.7463 80.3264 -66.7469 352.955 116.506 80.3249 116.506 252.607 GPRESSURE: 4609600 -178.146 -172.368 126.348 -37.5011 369.678 164.866 77.4618 94.4733 264.155 PRESSAVG: 4609600 31.0859 -8.51548 -8.89255 -8.51558 -1.72001 56.8744 -8.89261 56.8743 0.303182 GPRESSAVG: 4609600 30.2907 -8.95386 -8.90503 -5.41445 -0.576013 56.3336 -5.95576 56.864 0.276327 TIMING: 4609600 CPU: 13343.2, 0.00289982/step Wall: 13343.2, 0.00289982/step, 0.314469 hours remaining, 212.730469 MB of memory in use. ENERGY: 4609600 722.2980 2102.4840 1932.4697 110.6040 -206069.2712 17754.8432 0.0000 0.0000 34359.3275 -149087.2448 300.0686 -183446.5723 -148992.7684 299.7572 124.5490 151.8958 556085.8568 9.8897 9.9970 PRESSURE: 4609800 -76.6932 47.4676 125.935 47.4692 -89.2023 -93.8187 125.936 -93.8191 12.1267 GPRESSURE: 4609800 -44.8938 -70.0564 107.976 99.9892 -55.8495 -227.069 192.687 9.85122 42.6193 PRESSAVG: 4609800 -43.3924 -26.6352 -57.8799 -26.6351 42.0963 -9.68616 -57.8799 -9.68621 -3.81505 GPRESSAVG: 4609800 -42.1136 -27.6736 -58.7322 -26.363 41.8577 -10.9613 -58.666 -9.98678 -4.65869 TIMING: 4609800 CPU: 13343.8, 0.002904/step Wall: 13343.8, 0.002904/step, 0.314762 hours remaining, 212.730469 MB of memory in use. ENERGY: 4609800 731.9728 2123.2394 1923.1435 100.2629 -205624.0544 17602.0416 0.0000 0.0000 34329.2831 -148814.1111 299.8062 -183143.3942 -148715.6470 299.9841 -51.2563 -19.3747 557584.8593 -1.7037 -1.6382 PRESSURE: 4610000 -259.594 137.98 26.8975 137.98 -255.665 20.55 26.8965 20.5491 -56.5253 GPRESSURE: 4610000 -194.9 90.7312 -37.3161 194.296 -252.93 -26.9127 -18.3357 44.4602 -35.2788 PRESSAVG: 4610000 -18.1227 -7.92673 7.33469 -7.92676 -3.48119 -6.33847 7.33465 -6.33858 2.04582 GPRESSAVG: 4610000 -19.7383 -9.58083 6.9947 -9.21487 -4.11506 -6.6064 7.88182 -7.13768 3.88991 TIMING: 4610000 CPU: 13344.4, 0.00287824/step Wall: 13344.4, 0.00287824/step, 0.31181 hours remaining, 212.730469 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: 4610000 748.8113 2114.8676 1934.1363 120.6640 -205474.7786 17436.0449 0.0000 0.0000 34451.9089 -148668.3456 300.8771 -183120.2546 -148566.6748 300.8794 -190.5947 -161.0364 557576.0025 -6.5194 -6.6545 PRESSURE: 4610200 -82.3265 -89.2866 -8.17088 -89.2846 -136.355 105.991 -8.17181 105.989 -189.37 GPRESSURE: 4610200 15.9355 -157.605 17.9344 -32.8024 -114.34 27.0358 24.545 138.762 -209.499 PRESSAVG: 4610200 9.80045 15.2572 -25.6595 15.2572 30.4192 -39.515 -25.6595 -39.515 -11.5504 GPRESSAVG: 4610200 11.6487 16.666 -27.5283 16.2684 30.2366 -38.6025 -23.673 -39.599 -13.0329 TIMING: 4610200 CPU: 13345, 0.00288143/step Wall: 13345, 0.00288143/step, 0.311995 hours remaining, 212.730469 MB of memory in use. ENERGY: 4610200 744.3347 2027.2535 1938.4788 121.7352 -205752.6166 17665.5060 0.0000 0.0000 34450.8729 -148804.4354 300.8680 -183255.3083 -148704.9397 300.5282 -136.0171 -102.6343 556387.6731 9.5564 9.6175 PRESSURE: 4610400 59.027 -169.002 60.7571 -169.002 -326.611 -9.74286 60.757 -9.74359 -1.8303 GPRESSURE: 4610400 112.167 -108.276 124.77 -233.834 -242.579 10.3155 -14.8692 -22.669 -50.303 PRESSAVG: 4610400 5.83416 1.73333 -36.4707 1.73329 -23.3595 10.1734 -36.4707 10.1735 12.2289 GPRESSAVG: 4610400 5.93957 2.99361 -34.8315 -0.623045 -22.1043 11.3218 -37.6539 9.18129 11.5944 TIMING: 4610400 CPU: 13345.6, 0.00288591/step Wall: 13345.6, 0.00288591/step, 0.31232 hours remaining, 212.730469 MB of memory in use. ENERGY: 4610400 763.7943 2091.0297 1893.4417 110.7621 -205904.5876 17756.0498 0.0000 0.0000 34471.1981 -148818.3119 301.0455 -183289.5100 -148719.3511 300.7238 -89.8049 -60.2385 557895.5838 -1.7655 -1.5235 PRESSURE: 4610600 -313.695 49.5523 -43.8114 49.5526 55.4113 4.00859 -43.8125 4.0083 6.42727 GPRESSURE: 4610600 -281.923 110.245 -29.2678 65.4709 56.871 -9.48613 -42.684 5.22594 58.0511 PRESSAVG: 4610600 23.831 32.8251 23.0759 32.8251 -59.9957 31.685 23.0759 31.6851 25.1458 GPRESSAVG: 4610600 23.904 31.508 24.4825 35.0968 -61.7262 30.6397 21.3638 34.3493 26.477 TIMING: 4610600 CPU: 13346.1, 0.00287588/step Wall: 13346.1, 0.00287588/step, 0.311075 hours remaining, 212.730469 MB of memory in use. ENERGY: 4610600 723.1751 2140.5987 1942.7556 113.8652 -205531.6822 17334.2853 0.0000 0.0000 34357.2461 -148919.7562 300.0504 -183277.0023 -148817.3512 300.7013 -83.9522 -55.6671 557668.9961 -3.6730 -3.7817 PRESSURE: 4610800 -123.257 -9.16339 74.8913 -9.16382 -56.6684 125.765 74.8912 125.767 34.2621 GPRESSURE: 4610800 -64.1321 -46.6493 8.2687 70.1288 -48.3314 39.4185 74.6671 189.356 51.8222 PRESSAVG: 4610800 -24.8365 47.8876 22.2761 47.8876 -44.0998 19.7495 22.2762 19.7494 67.9123 GPRESSAVG: 4610800 -25.9105 45.5301 20.6279 48.2926 -44.1975 19.4834 25.4173 18.6989 68.4289 TIMING: 4610800 CPU: 13346.7, 0.00287272/step Wall: 13346.7, 0.00287272/step, 0.310573 hours remaining, 212.730469 MB of memory in use. ENERGY: 4610800 745.3097 2084.3606 1943.9766 114.7947 -206138.6279 17695.8494 0.0000 0.0000 34500.1752 -149054.1618 301.2986 -183554.3370 -148965.5222 299.5016 -48.5543 -20.2138 557316.3735 -0.3413 -0.5597 PRESSURE: 4611000 -97.9077 45.6759 -28.0076 45.6763 297.402 -130.736 -28.0078 -130.735 162.837 GPRESSURE: 4611000 -88.8315 103.616 46.2606 -10.2448 325.396 -60.8903 -70.7287 -226.818 224.858 PRESSAVG: 4611000 -22.0679 10.6797 -12.0791 10.6797 -8.86123 -51.8947 -12.0791 -51.8947 25.7834 GPRESSAVG: 4611000 -20.9517 13.5257 -11.7536 8.73387 -9.16784 -50.8123 -12.9757 -53.249 25.2015 TIMING: 4611000 CPU: 13347.3, 0.00286909/step Wall: 13347.3, 0.00286908/step, 0.310021 hours remaining, 212.730469 MB of memory in use. ENERGY: 4611000 763.1240 2038.6989 1965.7501 108.3406 -206600.0946 18060.5224 0.0000 0.0000 34532.9852 -149130.6735 301.5851 -183663.6586 -149036.2264 299.6591 120.7771 153.8074 555316.9034 -1.7152 -1.6394 PRESSURE: 4611200 149.693 -89.8297 -61.0596 -89.8292 -186.842 172.839 -61.0573 172.838 336.54 GPRESSURE: 4611200 159.153 -60.4705 -82.2117 -189.118 -166.894 205.116 67.522 169.06 410.797 PRESSAVG: 4611200 -44.9892 -17.2494 44.1333 -17.2494 -8.13039 6.76319 44.1333 6.76307 9.88378 GPRESSAVG: 4611200 -44.3378 -18.1225 43.6962 -18.0386 -8.76515 4.48007 45.4621 7.73043 9.45589 TIMING: 4611200 CPU: 13347.9, 0.00288464/step Wall: 13347.9, 0.00288464/step, 0.311542 hours remaining, 212.730469 MB of memory in use. ENERGY: 4611200 723.5298 2079.3934 1965.6149 120.5898 -206283.4419 17824.6383 0.0000 0.0000 34455.0672 -149114.6084 300.9047 -183569.6757 -149016.8483 300.3093 99.7969 134.3520 554478.0245 -14.4119 -14.5490 PRESSURE: 4611400 -147.95 -141.122 87.7669 -141.122 155.115 -6.59013 87.7674 -6.58972 -109.016 GPRESSURE: 4611400 -94.2092 -72.2231 97.8108 -120.962 181.581 -64.1447 112.015 -0.0599631 -87.6252 PRESSAVG: 4611400 8.8826 30.295 -48.9009 30.2949 68.804 -52.9482 -48.901 -52.9483 -67.8314 GPRESSAVG: 4611400 6.35931 30.8828 -49.2321 32.3082 70.5205 -51.9316 -50.5345 -54.0031 -66.4536 TIMING: 4611400 CPU: 13348.4, 0.00288135/step Wall: 13348.4, 0.00288135/step, 0.311025 hours remaining, 212.730469 MB of memory in use. ENERGY: 4611400 738.3555 2103.5846 1942.3148 125.7006 -206252.9836 17795.4571 0.0000 0.0000 34377.9975 -149169.5736 300.2316 -183547.5711 -149067.6188 299.4403 -33.9504 -0.0844 555947.3853 3.2851 3.4754 PRESSURE: 4611600 24.1513 74.0886 18.252 74.0895 82.5793 -227.711 18.2522 -227.71 -36.088 GPRESSURE: 4611600 113.193 42.7439 -43.8773 129.785 91.7801 -187.718 -42.4849 -255.602 -42.5076 PRESSAVG: 4611600 -7.86449 33.914 -10.2464 33.914 21.8597 -62.3433 -10.2463 -62.3432 -20.194 GPRESSAVG: 4611600 -6.26874 35.8146 -7.56912 32.5574 20.2621 -59.5896 -11.1063 -62.4519 -20.7248 TIMING: 4611600 CPU: 13349, 0.0028698/step Wall: 13349, 0.0028698/step, 0.309619 hours remaining, 212.730469 MB of memory in use. ENERGY: 4611600 774.5725 2144.1966 1945.0315 125.0408 -206006.2931 17733.4686 0.0000 0.0000 34218.8905 -149065.0926 298.8421 -183283.9831 -148968.4691 300.1097 23.5475 54.1550 558275.4785 -2.0663 -2.2438 PRESSURE: 4611800 127.618 -59.2152 80.5507 -59.215 -89.595 131.882 80.5517 131.881 -123.166 GPRESSURE: 4611800 153.261 -111.771 220.485 8.53391 -32.3391 40.9645 36.0005 172.824 -104.119 PRESSAVG: 4611800 6.85755 31.2516 12.274 31.2517 -3.83548 -7.24718 12.274 -7.2472 -12.9806 GPRESSAVG: 4611800 6.48327 29.2917 13.3667 32.4161 -2.52376 -10.5651 11.8421 -5.23386 -14.2315 TIMING: 4611800 CPU: 13349.6, 0.00289695/step Wall: 13349.6, 0.00289695/step, 0.312387 hours remaining, 212.730469 MB of memory in use. ENERGY: 4611800 755.8382 2109.4943 1961.9349 104.5478 -206322.5200 17896.5087 0.0000 0.0000 34326.1673 -149168.0288 299.7790 -183494.1961 -149061.5218 299.7460 -28.3813 5.6011 557919.9864 -3.3195 -3.4240 PRESSURE: 4612000 -0.773896 -86.4177 -112.514 -86.4177 181.59 0.329399 -112.515 0.329928 -86.6411 GPRESSURE: 4612000 48.5801 -104.624 -156.155 -9.64736 213.598 34.5307 -42.8184 -22.8022 -52.9545 PRESSAVG: 4612000 -29.4305 17.0246 -14.1264 17.0246 38.959 -5.90005 -14.1264 -5.90012 -3.93147 GPRESSAVG: 4612000 -29.4517 19.9267 -14.373 15.4971 38.4226 -6.16364 -14.5726 -7.15493 -2.76321 TIMING: 4612000 CPU: 13350.2, 0.00286266/step Wall: 13350.2, 0.00286266/step, 0.308531 hours remaining, 212.730469 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: 4612000 749.0640 2092.5470 1925.2099 109.3030 -206001.0511 17814.9760 0.0000 0.0000 34288.4696 -149021.4816 299.4497 -183309.9512 -148918.3088 300.1462 31.3917 69.7411 558266.4303 1.8657 2.0692 PRESSURE: 4612200 80.8608 -81.2017 -136.093 -81.2018 84.0713 121.823 -136.094 121.824 -108.808 GPRESSURE: 4612200 122.204 -88.1055 -248.64 -69.6247 51.9874 134.727 -117.524 54.2231 -20.8284 PRESSAVG: 4612200 -44.8531 0.0756169 -6.45249 0.0755948 40.0754 -33.2438 -6.45249 -33.2438 20.9874 GPRESSAVG: 4612200 -45.5609 -3.7686 -6.44363 0.962029 40.5372 -32.9587 -4.9314 -31.8265 21.2323 TIMING: 4612200 CPU: 13350.7, 0.0028826/step Wall: 13350.7, 0.0028826/step, 0.31052 hours remaining, 212.730469 MB of memory in use. ENERGY: 4612200 737.2234 2104.9169 1941.5971 111.4689 -206320.8494 17843.7113 0.0000 0.0000 34451.9274 -149130.0043 300.8773 -183581.9317 -149034.2912 300.3064 18.7080 51.1208 557594.6609 5.4032 5.4028 LDB: ============= START OF LOAD BALANCING ============== 13354.1 LDB: ============== END OF LOAD BALANCING =============== 13354.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13354.1 LDB: ============= START OF LOAD BALANCING ============== 13354.4 LDB: Largest compute 4773 load 0.026382 is 22.4% of average load 0.118036 LDB: Average compute 0.001725 is 1.5% of average load 0.118036 LDB: TIME 13354.4 LOAD: AVG 0.118036 MAX 0.178638 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.844 MB LDB: TIME 13354.4 LOAD: AVG 0.118036 MAX 0.178638 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: TIME 13354.4 LOAD: AVG 0.118036 MAX 0.178638 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13354.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13354.4 PRESSURE: 4612400 184.192 117.294 -61.3396 117.295 -133.512 -169.155 -61.3385 -169.155 -225.928 GPRESSURE: 4612400 188.483 84.3405 -107.099 125.069 -68.6461 -201.062 -17.9888 -65.5469 -197.482 PRESSAVG: 4612400 -36.1758 -9.52944 27.5136 -9.52946 39.174 -5.43475 27.5136 -5.43467 -1.32816 GPRESSAVG: 4612400 -35.871 -7.20757 26.184 -9.30134 40.5867 -5.07224 29.9012 -6.40233 -2.73584 TIMING: 4612400 CPU: 13351.3, 0.00293581/step Wall: 13351.3, 0.00293581/step, 0.316089 hours remaining, 211.125000 MB of memory in use. ENERGY: 4612400 767.4757 2089.6693 1940.7446 104.9634 -206042.1719 17783.5294 0.0000 0.0000 34130.0415 -149225.7481 298.0661 -183355.7896 -149126.5448 298.8558 -58.4162 -25.8819 558541.4674 0.5567 0.6600 PRESSURE: 4612600 70.5027 61.2191 76.046 61.2188 -61.6975 62.3243 76.0457 62.3251 207.458 GPRESSURE: 4612600 139.853 82.6349 78.1877 42.1659 -19.9254 -23.461 111.088 80.9313 178.869 PRESSAVG: 4612600 28.1669 -54.6238 10.7265 -54.6239 -18.2063 -21.0394 10.7264 -21.0394 1.68089 GPRESSAVG: 4612600 29.0127 -55.802 9.19711 -54.8649 -18.7737 -23.1776 9.46037 -19.6958 1.50498 TIMING: 4612600 CPU: 13351.9, 0.00291012/step Wall: 13351.9, 0.00291012/step, 0.313162 hours remaining, 211.324219 MB of memory in use. ENERGY: 4612600 748.7166 2070.9965 1968.1776 111.8812 -206214.7343 17784.2593 0.0000 0.0000 34397.5958 -149133.1072 300.4028 -183530.7030 -149032.9785 299.6154 72.0878 99.5987 556232.8612 3.8805 3.9147 PRESSURE: 4612800 -253.426 -123.122 27.4336 -123.121 -45.8024 171.857 27.4344 171.857 -269.583 GPRESSURE: 4612800 -220.516 -136.365 37.0515 -92.8696 -7.37926 166.505 18.3906 142.623 -238.53 PRESSAVG: 4612800 50.4641 40.8355 -16.0798 40.8355 -69.2057 35.0492 -16.0798 35.0491 6.46409 GPRESSAVG: 4612800 48.4704 41.4353 -15.0777 42.2212 -68.2345 36.5937 -17.7356 33.5599 7.7308 TIMING: 4612800 CPU: 13352.5, 0.00289555/step Wall: 13352.5, 0.00289555/step, 0.311433 hours remaining, 211.324219 MB of memory in use. ENERGY: 4612800 747.3860 2125.1788 1929.1132 121.5200 -205846.0083 17561.3860 0.0000 0.0000 34286.8338 -149074.5905 299.4354 -183361.4243 -148968.8885 300.1530 -189.6039 -155.4751 558000.1459 -4.0925 -4.0111 PRESSURE: 4613000 -121.651 -8.431 60.4108 -8.42998 -110.837 38.5071 60.4094 38.5062 -73.1108 GPRESSURE: 4613000 -60.2873 66.725 62.078 -31.2525 -101.203 54.0638 22.8063 54.3304 -40.5492 PRESSAVG: 4613000 11.0253 -12.5287 -18.5587 -12.5287 -6.89063 24.1649 -18.5586 24.1649 32.1144 GPRESSAVG: 4613000 13.1683 -11.3411 -18.6504 -15.4043 -8.31683 22.964 -17.4514 24.624 32.2395 TIMING: 4613000 CPU: 13353.1, 0.00289513/step Wall: 13353.1, 0.00289513/step, 0.311227 hours remaining, 211.324219 MB of memory in use. ENERGY: 4613000 739.8880 2049.3013 1954.8359 117.0565 -206032.9751 17802.7933 0.0000 0.0000 34156.9533 -149212.1467 298.3012 -183369.1000 -149118.2809 299.3172 -101.8663 -67.3463 558122.9088 12.0830 12.3637 PRESSURE: 4613200 -89.8308 93.995 101.206 93.9949 157.28 -10.2354 101.206 -10.2373 -93.7141 GPRESSURE: 4613200 -110.691 27.6189 79.534 84.77 197.355 89.022 128.172 -0.746848 -18.5754 PRESSAVG: 4613200 6.06257 -6.24961 24.1331 -6.24956 2.96132 -0.837717 24.1331 -0.837747 -14.6285 GPRESSAVG: 4613200 4.48175 -7.42968 24.9652 -3.25339 3.88996 1.56291 23.6749 -1.84165 -14.3126 TIMING: 4613200 CPU: 13353.6, 0.0029081/step Wall: 13353.6, 0.0029081/step, 0.312459 hours remaining, 211.324219 MB of memory in use. ENERGY: 4613200 767.2301 2085.3784 1952.2442 121.5739 -205811.3046 17665.1011 0.0000 0.0000 34340.9097 -148878.8672 299.9077 -183219.7769 -148784.7217 299.2807 -8.7551 22.6961 557983.5199 -1.8682 -1.9803 PRESSURE: 4613400 -113.813 161.338 50.1383 161.338 -139.849 -71.4459 50.1396 -71.4463 -93.5279 GPRESSURE: 4613400 -95.3673 241.699 -13.7327 102.124 -67.7595 -77.5646 59.1037 -59.6526 -92.2474 PRESSAVG: 4613400 -52.2964 -29.8733 -17.3567 -29.8732 30.5603 6.86257 -17.3568 6.86245 -31.8516 GPRESSAVG: 4613400 -52.6596 -29.2394 -16.4743 -32.7157 30.6038 5.01632 -17.2797 8.82537 -31.3536 TIMING: 4613400 CPU: 13354.2, 0.002877/step Wall: 13354.2, 0.002877/step, 0.308958 hours remaining, 211.324219 MB of memory in use. ENERGY: 4613400 768.0065 2082.6416 1935.6834 105.4299 -206113.3385 17871.1600 0.0000 0.0000 34421.6338 -148928.7833 300.6127 -183350.4171 -148824.1679 299.6758 -115.7298 -85.1247 558894.0225 -17.8625 -17.8032 PRESSURE: 4613600 -115.919 25.3725 -53.3235 25.3732 86.842 83.6553 -53.3232 83.6557 -74.0642 GPRESSURE: 4613600 -36.255 31.079 -8.96153 89.6224 81.84 101.917 -34.1631 -10.9781 -54.7803 PRESSAVG: 4613600 -17.8987 17.3672 -27.1413 17.3672 -14.8783 20.9468 -27.1414 20.9467 51.8075 GPRESSAVG: 4613600 -15.8813 17.8029 -30.3386 19.8959 -16.0612 20.9148 -26.4636 20.507 51.139 TIMING: 4613600 CPU: 13354.8, 0.00287678/step Wall: 13354.8, 0.00287678/step, 0.308774 hours remaining, 211.324219 MB of memory in use. ENERGY: 4613600 768.2378 2141.8530 1912.9233 110.8308 -206299.7134 17884.0460 0.0000 0.0000 34438.3338 -149043.4888 300.7585 -183481.8225 -148951.3126 299.7507 -34.3804 -3.0651 557324.7086 6.3435 6.3989 PRESSURE: 4613800 -193.968 106.496 150.432 106.499 -61.2942 42.0403 150.432 42.0393 -277.328 GPRESSURE: 4613800 -202.549 194.214 135.351 30.1937 1.06189 -13.6324 207.692 34.1984 -231.081 PRESSAVG: 4613800 -32.7022 -6.9154 10.2417 -6.91535 23.4881 -8.24725 10.2417 -8.24733 42.4743 GPRESSAVG: 4613800 -32.3951 -7.24351 11.0581 -9.90849 23.328 -7.64558 8.29447 -8.824 42.4371 TIMING: 4613800 CPU: 13355.4, 0.0028803/step Wall: 13355.4, 0.0028803/step, 0.308992 hours remaining, 211.324219 MB of memory in use. ENERGY: 4613800 756.7777 2097.8308 1921.2432 118.8638 -205470.2644 17438.0577 0.0000 0.0000 34003.3925 -149134.0986 296.9601 -183137.4911 -149043.0522 299.4624 -177.5302 -144.1893 557779.3099 11.0867 11.1233 PRESSURE: 4614000 -20.5764 70.0301 87.1916 70.0299 -129.3 -111.09 87.1919 -111.091 14.3762 GPRESSURE: 4614000 54.2829 54.9355 49.9836 138.675 -111.481 -78.8539 114.024 -53.4327 18.5933 PRESSAVG: 4614000 -10.0497 -3.54805 20.652 -3.54811 -39.6757 -2.23334 20.652 -2.23335 34.8074 GPRESSAVG: 4614000 -11.6797 -3.40086 20.1012 -2.83446 -38.3709 -2.26828 20.7786 0.307725 35.3903 TIMING: 4614000 CPU: 13355.9, 0.0028854/step Wall: 13355.9, 0.0028854/step, 0.309379 hours remaining, 211.324219 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: 4614000 714.6550 2102.0615 1931.6161 104.9100 -206046.6873 17670.6589 0.0000 0.0000 34448.1566 -149074.6293 300.8443 -183522.7859 -148976.0578 299.3305 -45.1669 -12.8681 557709.3891 -4.9727 -4.8868 PRESSURE: 4614200 -112.834 125.208 -19.2019 125.208 209.373 133.977 -19.2026 133.978 1.73986 GPRESSURE: 4614200 -53.6688 23.6418 21.0286 113.348 233.74 105.416 -46.7059 136.399 20.4162 PRESSAVG: 4614200 -19.6851 -5.1891 -19.2335 -5.1891 19.1514 5.77112 -19.2335 5.77111 -11.1147 GPRESSAVG: 4614200 -18.469 -7.08732 -18.7327 -3.91931 18.8042 4.96267 -17.8568 4.64641 -11.1577 TIMING: 4614200 CPU: 13356.5, 0.00289238/step Wall: 13356.5, 0.00289238/step, 0.309967 hours remaining, 211.324219 MB of memory in use. ENERGY: 4614200 760.2193 2100.7271 1949.6026 102.7383 -205988.4486 17859.6175 0.0000 0.0000 33996.1878 -149219.3561 296.8972 -183215.5439 -149130.2117 298.7675 32.7597 66.8293 558366.4201 -3.8828 -3.6075 PRESSURE: 4614400 129.853 -84.1063 -17.8149 -84.1068 -34.5542 54.7357 -17.8147 54.734 -129.471 GPRESSURE: 4614400 193.344 -112.615 -19.9382 -161.717 -35.8742 61.3131 4.25357 24.0906 -87.7986 PRESSAVG: 4614400 27.9553 -38.9888 25.7035 -38.9888 -78.2014 68.6457 25.7036 68.6455 37.6885 GPRESSAVG: 4614400 28.4417 -37.6216 25.8106 -38.3951 -78.0866 71.2837 23.8803 66.5564 37.5671 TIMING: 4614400 CPU: 13357.1, 0.00288018/step Wall: 13357.1, 0.00288018/step, 0.3085 hours remaining, 211.324219 MB of memory in use. ENERGY: 4614400 760.2403 2102.8375 1950.8066 97.4440 -206254.9442 17819.2598 0.0000 0.0000 34309.2436 -149215.1124 299.6312 -183524.3560 -149123.9465 298.9429 -11.3909 23.2236 557489.3748 -4.1859 -4.0259 PRESSURE: 4614600 -81.9821 184.636 180.95 184.635 -287.641 159.83 180.949 159.83 -79.7312 GPRESSURE: 4614600 -66.9903 247.44 180.199 162.576 -244.019 139.645 192.853 163.909 -34.9827 PRESSAVG: 4614600 -74.4363 21.4006 16.0267 21.4006 -46.6154 -27.3241 16.0268 -27.3242 88.2984 GPRESSAVG: 4614600 -74.1562 21.3108 16.1697 20.5196 -45.5308 -28.952 19.5733 -27.1005 87.9263 TIMING: 4614600 CPU: 13357.7, 0.00286762/step Wall: 13357.7, 0.00286762/step, 0.306994 hours remaining, 211.324219 MB of memory in use. ENERGY: 4614600 746.0434 2067.1076 1936.7971 117.0010 -205616.1388 17464.5744 0.0000 0.0000 34160.8575 -149123.7579 298.3353 -183284.6153 -149019.3774 299.2214 -149.7847 -115.3306 557803.5582 -10.9177 -10.5869 PRESSURE: 4614800 -173.929 30.8413 109.608 30.8413 -53.9885 -14.7394 109.608 -14.7381 -16.8229 GPRESSURE: 4614800 -111.579 42.9408 76.6603 50.6614 -47.6519 -49.7181 45.4499 21.7811 20.3723 PRESSAVG: 4614800 11.2281 -40.7841 -17.0679 -40.7841 -28.0196 22.3176 -17.0678 22.3175 40.7932 GPRESSAVG: 4614800 10.93 -41.475 -16.1113 -40.1901 -28.0264 22.1951 -20.447 24.3973 40.6489 TIMING: 4614800 CPU: 13358.3, 0.00289005/step Wall: 13358.3, 0.00289005/step, 0.309236 hours remaining, 211.324219 MB of memory in use. ENERGY: 4614800 753.6096 2088.9877 1929.6253 123.8423 -206131.2129 17824.1924 0.0000 0.0000 34125.8796 -149285.0760 298.0298 -183410.9556 -149181.8981 299.2518 -81.5800 -46.2862 558267.5082 8.0006 7.8508 PRESSURE: 4615000 -238.909 21.0664 -85.5905 21.0665 23.5629 -131.353 -85.5914 -131.351 -182.704 GPRESSURE: 4615000 -192.443 27.6398 -170.324 68.9319 30.909 -122.827 -73.6801 -167.367 -134.379 PRESSAVG: 4615000 -58.7282 -13.9141 -5.22404 -13.9141 -0.501536 4.06423 -5.22394 4.06415 59.6963 GPRESSAVG: 4615000 -59.1699 -13.1497 -6.41795 -13.9991 -0.758693 2.6369 -4.09856 1.15371 60.0324 TIMING: 4615000 CPU: 13358.8, 0.00287445/step Wall: 13358.8, 0.00287445/step, 0.307406 hours remaining, 211.324219 MB of memory in use. ENERGY: 4615000 749.3169 2091.0377 1933.8132 109.8052 -206005.1684 17547.1874 0.0000 0.0000 34282.4929 -149291.5151 299.3975 -183574.0079 -149198.3029 299.4764 -132.6836 -98.6374 557514.5264 0.1555 0.0346 PRESSURE: 4615200 -142.337 11.409 -195.533 11.4082 -64.041 100.758 -195.533 100.759 -252.068 GPRESSURE: 4615200 -121.295 37.6935 -219.212 -30.592 24.775 160.484 -149.583 72.7308 -267.034 PRESSAVG: 4615200 -9.17037 -48.1563 -55.9851 -48.1563 14.0692 21.1475 -55.985 21.1476 4.95607 GPRESSAVG: 4615200 -9.70333 -47.5728 -57.2739 -47.2567 14.4352 23.0487 -55.8232 22.3602 5.19281 TIMING: 4615200 CPU: 13359.4, 0.0028982/step Wall: 13359.4, 0.0028982/step, 0.309785 hours remaining, 211.324219 MB of memory in use. ENERGY: 4615200 746.8985 2051.5065 1964.9912 110.6064 -205825.4896 17462.7869 0.0000 0.0000 34109.7789 -149378.9212 297.8892 -183488.7001 -149280.5147 298.6583 -152.8154 -121.1847 557876.6733 3.2850 3.3082 PRESSURE: 4615400 34.1837 -231.072 -341.337 -231.072 -234.685 -125.395 -341.338 -125.395 174.663 GPRESSURE: 4615400 111.731 -170.319 -291.41 -308.232 -179.505 -38.6569 -287.476 -91.8398 152.575 PRESSAVG: 4615400 67.6983 -79.6276 -31.4546 -79.6275 -69.8539 2.20291 -31.4546 2.20297 18.7293 GPRESSAVG: 4615400 68.1033 -81.0604 -30.1566 -78.2015 -70.2238 3.09272 -31.8668 2.75846 18.8143 TIMING: 4615400 CPU: 13360, 0.00289813/step Wall: 13360, 0.00289813/step, 0.309617 hours remaining, 211.324219 MB of memory in use. ENERGY: 4615400 714.0244 2056.7773 1947.5390 120.2233 -206468.4408 17872.0671 0.0000 0.0000 34387.7396 -149370.0701 300.3167 -183757.8097 -149271.3650 299.0786 -8.6127 28.2670 557194.0299 5.5246 5.5646 PRESSURE: 4615600 -86.5087 26.496 159.111 26.4959 -127.262 -214.704 159.11 -214.703 -156.673 GPRESSURE: 4615600 -156.642 57.4858 127.252 -39.5946 -69.1456 -181.06 146.458 -276.602 -55.389 PRESSAVG: 4615600 9.89938 -24.1238 20.7728 -24.1238 -36.2229 29.0965 20.7729 29.0965 17.5941 GPRESSAVG: 4615600 10.0569 -23.5912 21.2478 -26.1978 -36.0247 27.9046 21.6677 27.9338 17.7759 TIMING: 4615600 CPU: 13360.6, 0.00289215/step Wall: 13360.6, 0.00289215/step, 0.308818 hours remaining, 211.324219 MB of memory in use. ENERGY: 4615600 754.3442 2015.3205 1962.7506 110.4418 -205990.5351 17509.6359 0.0000 0.0000 34393.6903 -149244.3518 300.3687 -183638.0421 -149147.0423 298.3271 -123.4815 -93.7257 557702.3125 -2.9098 -2.7307 PRESSURE: 4615800 -157.657 -67.801 -3.71869 -67.801 -76.7816 -29.7994 -3.71807 -29.7997 -116.345 GPRESSURE: 4615800 -138.82 -14.4345 -37.4198 -79.8931 -46.8565 44.992 81.8111 -76.4554 -58.7756 PRESSAVG: 4615800 7.66103 -4.50258 29.5863 -4.50262 -4.63972 -6.26284 29.5862 -6.26287 0.316511 GPRESSAVG: 4615800 6.92687 -3.72216 28.3047 -4.069 -4.55192 -4.84797 30.3539 -7.21423 0.63371 TIMING: 4615800 CPU: 13361.1, 0.00290639/step Wall: 13361.1, 0.00290639/step, 0.310176 hours remaining, 211.324219 MB of memory in use. ENERGY: 4615800 721.4141 2144.0920 1948.2305 124.0300 -206277.6526 17658.6349 0.0000 0.0000 34308.5375 -149372.7136 299.6250 -183681.2510 -149278.1416 298.9104 -116.9279 -81.4839 556903.4571 1.1126 1.0029 PRESSURE: 4616000 -1.82317 -170.746 -122.184 -170.747 26.2545 -77.805 -122.185 -77.8036 -255.883 GPRESSURE: 4616000 11.6775 -176.95 -70.1682 -167.114 59.4586 -173.027 -140.785 -27.0606 -197.216 PRESSAVG: 4616000 29.9604 17.3527 -7.45768 17.3527 72.4279 -32.6616 -7.45769 -32.6617 -64.0388 GPRESSAVG: 4616000 30.4784 15.7463 -6.91826 17.9958 73.4994 -33.7289 -8.0779 -31.0333 -65.6342 TIMING: 4616000 CPU: 13361.7, 0.00287733/step Wall: 13361.7, 0.00287733/step, 0.306915 hours remaining, 211.324219 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: 4616000 739.8853 2099.8307 1953.5734 120.0306 -206335.5880 17751.4846 0.0000 0.0000 34288.8805 -149381.9029 299.4533 -183670.7834 -149278.2704 298.8131 -77.1506 -42.0266 557475.5487 12.7832 12.7812 PRESSURE: 4616200 -57.8015 -38.6336 -171.574 -38.633 -340.378 -7.97897 -171.573 -7.97843 111.17 GPRESSURE: 4616200 -17.1014 17.1658 -196.435 -86.3544 -346.05 6.52394 -103.082 8.49756 176.698 PRESSAVG: 4616200 52.2859 -43.603 -50.7404 -43.6031 -33.5347 -10.7426 -50.7404 -10.7426 0.548353 GPRESSAVG: 4616200 52.0692 -42.8836 -50.1406 -45.4748 -35.2807 -8.32443 -50.845 -12.1077 2.49593 TIMING: 4616200 CPU: 13362.3, 0.00287645/step Wall: 13362.3, 0.00287645/step, 0.306662 hours remaining, 211.324219 MB of memory in use. ENERGY: 4616200 742.6205 2097.4058 1923.2339 109.7748 -205945.6305 17597.8246 0.0000 0.0000 34256.8796 -149217.8912 299.1738 -183474.7708 -149123.6485 299.2460 -95.6700 -62.1510 557194.5009 6.4332 6.4282 LDB: ============= START OF LOAD BALANCING ============== 13365.7 LDB: ============== END OF LOAD BALANCING =============== 13365.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13365.7 LDB: ============= START OF LOAD BALANCING ============== 13366 LDB: Largest compute 4772 load 0.026323 is 22.3% of average load 0.118068 LDB: Average compute 0.001725 is 1.5% of average load 0.118068 LDB: TIME 13366 LOAD: AVG 0.118068 MAX 0.178784 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.867 MB LDB: TIME 13366 LOAD: AVG 0.118068 MAX 0.178784 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: TIME 13366 LOAD: AVG 0.118068 MAX 0.178784 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.07 MB LDB: ============== END OF LOAD BALANCING =============== 13366 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13366 PRESSURE: 4616400 -173.965 123.55 -200.046 123.551 -234.924 -4.69682 -200.046 -4.69541 -16.3078 GPRESSURE: 4616400 -140.874 138.726 -121.756 146.49 -211.354 0.548829 -164.275 -28.2831 21.5855 PRESSAVG: 4616400 -48.6736 -50.3154 -12.0802 -50.3153 -19.8263 -39.3871 -12.0802 -39.3872 41.3033 GPRESSAVG: 4616400 -48.4271 -51.0812 -11.1638 -49.5308 -19.564 -41.872 -12.5627 -39.1546 41.2173 TIMING: 4616400 CPU: 13362.9, 0.00293698/step Wall: 13362.9, 0.00293698/step, 0.312952 hours remaining, 212.152344 MB of memory in use. ENERGY: 4616400 740.9807 2101.9827 1931.7573 114.3225 -206321.6596 17719.9327 0.0000 0.0000 34453.6753 -149259.0084 300.8925 -183712.6837 -149167.6133 299.3117 -141.7323 -110.2140 557537.1632 -9.0655 -8.9246 PRESSURE: 4616600 -219.882 29.1915 -95.4954 29.1916 -451.46 -69.6462 -95.4968 -69.6454 -88.0399 GPRESSURE: 4616600 -211.297 -35.6139 -92.3739 67.3088 -401.391 -43.8584 -126.967 33.0295 -54.4268 PRESSAVG: 4616600 -5.70543 87.469 -3.06106 87.4691 -16.4545 -31.7805 -3.06119 -31.7803 3.08978 GPRESSAVG: 4616600 -4.96583 88.7258 -4.72683 87.017 -15.6001 -32.7334 -2.84965 -30.9926 1.31761 TIMING: 4616600 CPU: 13363.5, 0.0028851/step Wall: 13363.5, 0.0028851/step, 0.307263 hours remaining, 212.222656 MB of memory in use. ENERGY: 4616600 748.0452 2104.7899 1942.8928 118.7757 -205955.5807 17466.1024 0.0000 0.0000 34459.6352 -149115.3394 300.9446 -183574.9746 -149021.7868 299.2655 -253.1273 -222.3715 557650.6289 -6.3567 -6.4161 PRESSURE: 4616800 174.441 3.72528 51.9783 3.72598 197.554 -127.278 51.9797 -127.279 36.1641 GPRESSURE: 4616800 181.233 -38.974 16.845 57.9799 228.302 -11.4062 46.7445 -185.34 102.374 PRESSAVG: 4616800 9.5489 -15.3916 -29.955 -15.3917 -2.53623 -13.8833 -29.955 -13.8834 34.2342 GPRESSAVG: 4616800 7.99759 -15.5957 -29.3888 -15.8564 -2.39297 -10.3169 -30.9685 -16.1009 35.4914 TIMING: 4616800 CPU: 13364, 0.002894/step Wall: 13364, 0.002894/step, 0.30805 hours remaining, 212.222656 MB of memory in use. ENERGY: 4616800 688.4276 2151.1031 1944.8332 116.2326 -205940.8042 17768.8431 0.0000 0.0000 34088.2306 -149183.1341 297.7010 -183271.3647 -149085.4542 298.8102 136.0529 170.6362 556339.6739 13.7490 13.6987 PRESSURE: 4617000 -65.6279 -82.8663 -66.1021 -82.8659 -133.275 -33.3631 -66.103 -33.3634 -136.605 GPRESSURE: 4617000 -49.6414 3.51783 -180.773 -119.615 -117.399 -74.3627 19.7469 -62.151 -77.8528 PRESSAVG: 4617000 40.7587 24.1457 5.19699 24.1456 -31.9769 35.0706 5.197 35.0706 8.62386 GPRESSAVG: 4617000 42.3852 25.7247 5.07317 24.6797 -33.0868 33.8174 5.21615 37.7916 8.58422 TIMING: 4617000 CPU: 13364.6, 0.00288494/step Wall: 13364.6, 0.00288494/step, 0.306926 hours remaining, 212.222656 MB of memory in use. ENERGY: 4617000 770.6911 2090.7919 1944.0817 103.9037 -205749.0682 17509.7417 0.0000 0.0000 34215.7436 -149114.1144 298.8146 -183329.8580 -149014.5200 299.2213 -111.8360 -81.6312 557525.7394 5.8019 5.9609 PRESSURE: 4617200 -122.945 160.446 -90.9232 160.447 -81.7032 100.742 -90.9234 100.744 397.536 GPRESSURE: 4617200 -81.434 146.749 -177.17 43.755 -96.0419 127.312 -112.558 -4.85656 482.167 PRESSAVG: 4617200 72.8651 -56.3132 54.932 -56.3132 -64.1961 -0.590555 54.932 -0.590462 -6.4586 GPRESSAVG: 4617200 71.7201 -57.1757 55.5936 -56.4525 -62.6389 -2.78269 54.3757 -0.144974 -7.17785 TIMING: 4617200 CPU: 13365.2, 0.00290225/step Wall: 13365.2, 0.00290225/step, 0.308606 hours remaining, 212.222656 MB of memory in use. ENERGY: 4617200 742.7976 2119.0405 1942.9163 115.9349 -206106.7836 17842.1988 0.0000 0.0000 34187.2023 -149156.6933 298.5653 -183343.8956 -149060.1178 299.3463 64.2960 101.5636 557526.5309 0.7368 0.6344 PRESSURE: 4617400 56.5742 -38.2386 259.85 -38.2398 156.549 63.253 259.849 63.2523 333.608 GPRESSURE: 4617400 61.3603 -127.316 249.775 9.15944 219.55 53.0224 286.996 31.5122 352.877 PRESSAVG: 4617400 -19.1369 13.3919 42.3033 13.3919 25.0962 19.166 42.3034 19.166 14.8973 GPRESSAVG: 4617400 -20.1945 12.5158 43.2931 11.8836 26.0694 19.8189 43.4991 18.3867 15.1236 TIMING: 4617400 CPU: 13365.8, 0.00289599/step Wall: 13365.8, 0.00289599/step, 0.30778 hours remaining, 212.222656 MB of memory in use. ENERGY: 4617400 767.3511 2109.2022 1984.5902 109.9106 -206851.5935 18224.0259 0.0000 0.0000 34396.0169 -149260.4965 300.3890 -183656.5134 -149171.3070 299.0602 182.2439 211.2624 556559.7241 6.9522 6.9995 PRESSURE: 4617600 -8.68695 194.417 -16.1304 194.418 -195.407 200.02 -16.1298 200.022 141.489 GPRESSURE: 4617600 34.9722 105.939 33.3681 207.372 -140.478 97.5548 -130.935 231.398 136.153 PRESSAVG: 4617600 -69.9002 -2.45492 10.4572 -2.45486 23.8488 76.5151 10.4572 76.515 27.8799 GPRESSAVG: 4617600 -69.4817 0.661839 9.11552 -2.31456 23.5542 75.5909 10.3755 75.596 27.5593 TIMING: 4617600 CPU: 13366.4, 0.00290193/step Wall: 13366.4, 0.00290193/step, 0.308249 hours remaining, 212.222656 MB of memory in use. ENERGY: 4617600 761.0488 2103.2285 1952.9990 118.6761 -206177.4090 17777.2497 0.0000 0.0000 34101.2853 -149362.9216 297.8150 -183464.2069 -149273.3580 299.2488 -20.8683 10.2159 556495.0836 -6.0572 -6.1228 PRESSURE: 4617800 -79.6258 181.043 4.51752 181.044 -21.6239 9.5665 4.51905 9.56617 -212.876 GPRESSURE: 4617800 -36.0211 131.723 58.2674 195.481 -15.2595 34.2522 -57.5133 51.0547 -175.99 PRESSAVG: 4617800 -44.4214 2.97709 1.14839 2.97708 -37.7892 25.5253 1.14838 25.5252 57.3793 GPRESSAVG: 4617800 -43.516 0.800625 0.394368 6.18047 -38.4541 26.7932 0.304479 25.8999 57.4506 TIMING: 4617800 CPU: 13366.9, 0.00290678/step Wall: 13366.9, 0.00290678/step, 0.308603 hours remaining, 212.222656 MB of memory in use. ENERGY: 4617800 755.9289 2121.2783 1962.9912 107.7758 -206242.9264 17729.0673 0.0000 0.0000 34001.6294 -149564.2555 296.9447 -183565.8849 -149473.0097 298.7353 -104.7086 -75.7569 557608.1746 -8.2771 -8.1732 PRESSURE: 4618000 125.411 61.545 -25.2051 61.5449 239.554 -46.0969 -25.2053 -46.0968 -199.156 GPRESSURE: 4618000 175.387 74.5118 -106.885 -11.1259 223.485 -30.8002 23.4368 -36.1462 -144.246 PRESSAVG: 4618000 29.0548 -10.8826 -7.6619 -10.8826 -17.7275 42.3367 -7.66184 42.3367 10.4887 GPRESSAVG: 4618000 27.8245 -10.5235 -6.72507 -11.3998 -17.0483 39.3533 -7.17994 44.3453 10.9073 TIMING: 4618000 CPU: 13367.5, 0.00288787/step Wall: 13367.5, 0.00288787/step, 0.306435 hours remaining, 212.222656 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: 4618000 774.5954 2075.4980 1953.0328 100.6309 -206732.7067 18002.8452 0.0000 0.0000 34162.7357 -149663.3687 298.3517 -183826.1044 -149566.5930 298.0470 55.2696 84.8751 556370.7141 7.2720 7.2279 PRESSURE: 4618200 62.2887 -65.6119 -267.879 -65.6121 -81.9716 87.0604 -267.879 87.0603 -94.1414 GPRESSURE: 4618200 50.4973 -125.306 -243.725 -35.6481 -57.9527 37.1489 -329.905 59.6675 -10.5489 PRESSAVG: 4618200 3.61196 6.01547 13.3274 6.0154 -22.74 6.59394 13.3274 6.59386 -25.0287 GPRESSAVG: 4618200 4.80791 6.16461 11.9502 4.40175 -23.9371 8.08411 12.1657 5.78099 -25.1431 TIMING: 4618200 CPU: 13368.1, 0.00287499/step Wall: 13368.1, 0.00287499/step, 0.304909 hours remaining, 212.222656 MB of memory in use. ENERGY: 4618200 744.3342 2088.0881 1923.2216 123.6613 -206365.8229 17782.7945 0.0000 0.0000 34159.9255 -149543.7977 298.3271 -183703.7232 -149446.6162 298.7049 -37.9414 -6.0014 556764.0144 -14.7189 -14.7574 PRESSURE: 4618400 -88.6906 70.6565 -64.7637 70.6565 250.231 94.9494 -64.7642 94.9474 -140.082 GPRESSURE: 4618400 -140.009 39.93 -45.4098 152.364 326.992 91.8799 -108.829 43.2002 -81.3347 PRESSAVG: 4618400 38.1573 2.95089 -46.2224 2.95088 4.24711 24.5778 -46.2225 24.5778 14.7974 GPRESSAVG: 4618400 38.1725 0.800436 -45.1221 4.11204 3.91721 27.135 -45.7711 24.0321 15.3198 TIMING: 4618400 CPU: 13368.7, 0.00289988/step Wall: 13368.7, 0.00289988/step, 0.307387 hours remaining, 212.222656 MB of memory in use. ENERGY: 4618400 698.8945 2061.8164 1940.6190 108.9494 -206346.4803 17617.8345 0.0000 0.0000 34452.8351 -149465.5314 300.8852 -183918.3665 -149367.3617 299.0711 7.1529 35.2162 555142.9632 19.0673 19.1365 PRESSURE: 4618600 -105.026 -73.6047 -76.7088 -73.6038 118.64 -117.001 -76.7089 -117.002 -220.967 GPRESSURE: 4618600 -132.898 -112.748 -101.729 27.5027 216.921 -138.4 9.48674 -64.005 -196.922 PRESSAVG: 4618600 -15.4606 14.2487 -37.0021 14.2487 4.64233 -36.2081 -37.0021 -36.2081 -54.7143 GPRESSAVG: 4618600 -15.924 17.2719 -37.7758 13.9226 5.0296 -36.9504 -35.1154 -34.904 -54.3602 TIMING: 4618600 CPU: 13369.2, 0.00289388/step Wall: 13369.2, 0.00289388/step, 0.306591 hours remaining, 212.222656 MB of memory in use. ENERGY: 4618600 750.9675 2099.6589 1950.3411 109.0768 -206312.2523 17714.8586 0.0000 0.0000 34192.3562 -149494.9933 298.6104 -183687.3495 -149395.4981 299.1379 -69.1176 -37.6330 557291.8645 -21.8442 -21.7516 PRESSURE: 4618800 33.7126 52.0101 -100.874 52.0102 -81.771 50.9014 -100.873 50.9007 -30.0485 GPRESSURE: 4618800 92.9086 106.066 -78.3811 47.4541 -29.2392 -8.15 -104.511 94.8249 -47.5928 PRESSAVG: 4618800 3.30913 27.2287 -55.5592 27.2287 -27.6847 40.5133 -55.5592 40.5134 -2.58318 GPRESSAVG: 4618800 4.8411 26.4131 -54.8898 26.4723 -28.2274 38.23 -57.4344 40.7481 -4.14485 TIMING: 4618800 CPU: 13369.8, 0.00287756/step Wall: 13369.8, 0.00287756/step, 0.304702 hours remaining, 212.222656 MB of memory in use. ENERGY: 4618800 724.4150 2039.4846 1930.7939 105.0662 -206104.7212 17756.6430 0.0000 0.0000 34048.8584 -149499.4600 297.3571 -183548.3184 -149403.5174 298.8519 -26.0357 5.3589 557169.6355 -8.9862 -9.1770 PRESSURE: 4619000 121.07 26.2333 206.521 26.2342 -175.13 128.209 206.52 128.209 99.3183 GPRESSURE: 4619000 71.3469 1.58757 188.171 35.4682 -141.431 188.694 200.598 115.278 204.295 PRESSAVG: 4619000 42.5237 23.4639 -5.54563 23.4639 -63.6564 76.5879 -5.54565 76.588 15.4723 GPRESSAVG: 4619000 41.1754 22.6947 -5.58456 22.6557 -62.1156 78.5116 -6.09005 73.8919 16.0181 TIMING: 4619000 CPU: 13370.4, 0.00287644/step Wall: 13370.4, 0.00287644/step, 0.304424 hours remaining, 212.222656 MB of memory in use. ENERGY: 4619000 697.2738 2092.5072 1940.6755 101.6480 -206495.5555 17804.3313 0.0000 0.0000 34381.6743 -149477.4454 300.2637 -183859.1197 -149377.4390 299.2006 15.0860 44.7371 555751.8757 -1.8868 -1.6407 PRESSURE: 4619200 -109.506 112.922 -16.7659 112.923 219.176 -72.6164 -16.7653 -72.6159 -64.2531 GPRESSURE: 4619200 -30.0039 49.7562 13.3626 130.586 207.078 6.78355 -107.16 -61.446 -37.5853 PRESSAVG: 4619200 -27.784 64.1722 -43.0843 64.1722 28.0267 85.9076 -43.0842 85.9075 -30.2215 GPRESSAVG: 4619200 -26.8918 62.8148 -45.4294 65.1789 27.194 86.7909 -40.2319 88.2732 -30.1085 TIMING: 4619200 CPU: 13371, 0.00288742/step Wall: 13371, 0.00288742/step, 0.305425 hours remaining, 212.222656 MB of memory in use. ENERGY: 4619200 785.9792 2063.8208 1947.5266 117.3926 -206705.8953 17900.0672 0.0000 0.0000 34255.2533 -149635.8556 299.1596 -183891.1089 -149545.9330 298.3464 15.1390 46.4963 556257.3292 -9.9930 -9.9355 PRESSURE: 4619400 126.688 13.951 -42.4657 13.949 -16.5366 -334.855 -42.467 -334.854 -64.2885 GPRESSURE: 4619400 92.3754 48.6407 -45.251 -66.0265 56.6641 -372.331 -93.7878 -335.081 -1.48094 PRESSAVG: 4619400 47.4107 57.926 -31.4888 57.926 -2.15826 0.967892 -31.4889 0.967873 11.4268 GPRESSAVG: 4619400 46.8315 58.7036 -30.1733 57.8163 -1.87975 0.0190495 -33.0801 0.464925 11.2893 TIMING: 4619400 CPU: 13371.6, 0.00290124/step Wall: 13371.6, 0.00290124/step, 0.306725 hours remaining, 212.222656 MB of memory in use. ENERGY: 4619400 729.9579 2050.2954 1905.3544 114.0319 -206483.2308 17893.7605 0.0000 0.0000 34248.8501 -149540.9807 299.1037 -183789.8308 -149448.1853 298.2886 15.2876 49.1862 556920.4589 18.8931 18.7470 PRESSURE: 4619600 -37.4588 -104.959 -18.9185 -104.959 -180.678 3.85244 -18.9187 3.85413 -69.1878 GPRESSURE: 4619600 -0.12537 -23.8852 -114.261 -126.195 -129.366 -24.1733 0.377352 49.8666 -43.2873 PRESSAVG: 4619600 6.43912 -2.8331 -48.4996 -2.83305 1.43164 -2.46624 -48.4996 -2.46618 -26.4862 GPRESSAVG: 4619600 7.49674 0.271223 -47.7658 -4.28358 1.16349 -1.98848 -47.0039 -3.71201 -26.9389 TIMING: 4619600 CPU: 13372.1, 0.00289956/step Wall: 13372.1, 0.00289956/step, 0.306387 hours remaining, 212.222656 MB of memory in use. ENERGY: 4619600 746.1773 2029.8304 1921.4075 112.7570 -206042.9458 17740.6034 0.0000 0.0000 33967.0888 -149525.0813 296.6430 -183492.1702 -149432.5429 298.4537 -95.7748 -57.5930 557304.1367 -6.2052 -6.0929 PRESSURE: 4619800 -302.084 104.985 37.7536 104.985 -203.791 50.6603 37.7531 50.66 -78.1238 GPRESSURE: 4619800 -179.645 111.002 31.2838 112.39 -190.576 -51.7376 -14.5461 19.1961 -102.859 PRESSAVG: 4619800 41.5173 -4.0163 9.0657 -4.01633 5.73525 17.6454 9.0657 17.6454 -71.5566 GPRESSAVG: 4619800 41.9721 -5.69015 6.61648 -2.32655 4.96253 16.2799 7.35103 18.4055 -70.9192 TIMING: 4619800 CPU: 13372.7, 0.00287708/step Wall: 13372.7, 0.00287708/step, 0.303851 hours remaining, 212.222656 MB of memory in use. ENERGY: 4619800 740.0539 2063.4569 1944.8549 116.9656 -206063.2798 17410.4905 0.0000 0.0000 34294.3713 -149493.0867 299.5013 -183787.4580 -149392.3796 298.7694 -194.6663 -157.6932 555297.5844 -8.1014 -7.9949 PRESSURE: 4620000 61.3262 17.5256 -117.031 17.5251 261.925 -86.6951 -117.031 -86.6952 264.451 GPRESSURE: 4620000 97.8026 64.5912 -96.0858 76.4975 296.572 -34.7462 -134.916 -147.795 295.097 PRESSAVG: 4620000 31.1432 7.309 7.9442 7.30896 45.8158 -13.6716 7.94415 -13.6717 -11.445 GPRESSAVG: 4620000 30.4892 6.79541 10.8031 7.70444 46.3032 -12.3135 8.31293 -13.1296 -11.525 TIMING: 4620000 CPU: 13373.3, 0.00288774/step Wall: 13373.3, 0.00288774/step, 0.304817 hours remaining, 212.222656 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: 4620000 724.8077 2069.8556 1930.0974 115.2747 -206783.9499 18240.6086 0.0000 0.0000 34287.4331 -149415.8727 299.4407 -183703.3059 -149326.6931 299.1114 195.9005 229.8238 555299.7522 21.8380 21.7558 PRESSURE: 4620200 -22.139 -40.3706 -125.375 -40.3701 14.8269 -8.77972 -125.373 -8.77871 -58.7996 GPRESSURE: 4620200 41.6074 -77.7456 -98.0574 -76.6774 39.5646 -79.9754 -159.899 -3.6051 -45.6974 PRESSAVG: 4620200 -13.9195 -33.452 -27.7383 -33.452 0.0248061 65.187 -27.7385 65.187 26.8325 GPRESSAVG: 4620200 -12.9994 -34.9734 -29.6566 -33.7294 -1.39668 67.1939 -27.5969 63.8536 27.3911 TIMING: 4620200 CPU: 13373.9, 0.00289504/step Wall: 13373.9, 0.00289504/step, 0.305426 hours remaining, 212.222656 MB of memory in use. ENERGY: 4620200 734.0087 2096.3613 1940.2635 113.8254 -206186.3248 17803.1791 0.0000 0.0000 34366.5671 -149132.1196 300.1318 -183498.6867 -149040.1629 300.1266 -22.0372 11.8248 556407.5422 4.3126 4.3317 LDB: ============= START OF LOAD BALANCING ============== 13377.3 LDB: ============== END OF LOAD BALANCING =============== 13377.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13377.3 LDB: ============= START OF LOAD BALANCING ============== 13377.5 LDB: Largest compute 4799 load 0.026675 is 22.6% of average load 0.118005 LDB: Average compute 0.001734 is 1.5% of average load 0.118005 LDB: TIME 13377.5 LOAD: AVG 0.118005 MAX 0.180923 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.863 MB LDB: TIME 13377.5 LOAD: AVG 0.118005 MAX 0.180923 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.863 MB LDB: TIME 13377.5 LOAD: AVG 0.118005 MAX 0.180923 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.863 MB LDB: ============== END OF LOAD BALANCING =============== 13377.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13377.6 PRESSURE: 4620400 -123.08 4.59327 39.9878 4.59397 -28.7738 151.963 39.9883 151.963 -211.832 GPRESSURE: 4620400 -117.582 -3.20325 10.7263 24.2606 19.8101 182.774 78.9124 133.377 -173.172 PRESSAVG: 4620400 -2.34005 2.01331 -61.4757 2.01342 38.818 45.2564 -61.4758 45.2564 -60.4113 GPRESSAVG: 4620400 -2.93376 3.21188 -60.5859 -0.12922 40.683 43.5277 -60.8827 45.1141 -61.4108 TIMING: 4620400 CPU: 13374.5, 0.00295232/step Wall: 13374.5, 0.00295232/step, 0.311305 hours remaining, 211.058594 MB of memory in use. ENERGY: 4620400 739.8400 2066.1197 1940.3039 113.8026 -205844.5188 17585.2351 0.0000 0.0000 34230.5356 -149168.6819 298.9438 -183399.2175 -149090.1245 299.7354 -121.2285 -90.3149 559261.2203 -7.9778 -7.8872 PRESSURE: 4620600 78.8519 130.237 -19.1234 130.237 -40.261 -14.2555 -19.1236 -14.2531 -10.2032 GPRESSURE: 4620600 136.409 80.0374 -27.9192 149.072 -43.4004 -10.4821 -34.9868 -46.6348 29.495 PRESSAVG: 4620600 17.4149 -4.9709 4.23111 -4.97088 -8.55624 66.1295 4.23124 66.1296 0.968716 GPRESSAVG: 4620600 18.3971 -4.3774 4.58566 -4.56875 -9.46109 66.2047 4.10762 67.5637 1.1264 TIMING: 4620600 CPU: 13375, 0.00288046/step Wall: 13375, 0.00288046/step, 0.303569 hours remaining, 211.058594 MB of memory in use. ENERGY: 4620600 761.2402 2082.3155 1958.8789 107.3178 -206223.5268 17774.2320 0.0000 0.0000 34496.2782 -149043.2641 301.2646 -183539.5423 -148952.8614 299.8911 9.4626 40.8345 557176.7517 3.2758 3.3541 PRESSURE: 4620800 6.3148 -89.4556 111.296 -89.455 79.2768 64.8909 111.295 64.8909 -222.893 GPRESSURE: 4620800 30.1291 -115.333 141.681 -14.3613 77.3364 65.0617 112.996 105.603 -143.133 PRESSAVG: 4620800 -46.9991 35.989 28.7155 35.9888 -10.6826 46.8851 28.7156 46.885 34.9499 GPRESSAVG: 4620800 -48.4069 36.8421 26.8095 35.9181 -10.5983 45.8114 27.5976 48.6713 35.9499 TIMING: 4620800 CPU: 13375.6, 0.00290596/step Wall: 13375.6, 0.00290596/step, 0.306095 hours remaining, 211.058594 MB of memory in use. ENERGY: 4620800 708.4600 2093.5179 1935.8049 120.1775 -205917.9171 17504.6127 0.0000 0.0000 34370.0593 -149185.2849 300.1623 -183555.3442 -149088.6908 299.4334 -45.7670 -11.8891 555423.2241 -7.5773 -7.6851 PRESSURE: 4621000 -129.227 23.014 -198.577 23.013 23.9657 -103.704 -198.578 -103.703 51.7734 GPRESSURE: 4621000 -92.509 -31.9586 -171.467 -48.133 44.5316 -94.1117 -158.134 -36.8169 83.7429 PRESSAVG: 4621000 -13.1915 -22.477 9.91969 -22.477 64.8014 29.7877 9.91971 29.7877 -10.0989 GPRESSAVG: 4621000 -13.1915 -24.9863 13.0338 -19.7145 64.4017 31.3243 9.67617 28.1107 -9.9572 TIMING: 4621000 CPU: 13376.2, 0.0028877/step Wall: 13376.2, 0.0028877/step, 0.304011 hours remaining, 211.058594 MB of memory in use. ENERGY: 4621000 714.2874 2083.2333 1949.3557 104.7143 -205555.2246 17555.2544 0.0000 0.0000 34023.3811 -149124.9984 297.1346 -183148.3795 -149024.7821 299.4514 -17.8292 11.9218 556604.1563 13.8370 13.7510 PRESSURE: 4621200 -20.0524 72.6101 -132.606 72.6093 -20.5551 33.0663 -132.605 33.0674 168.48 GPRESSURE: 4621200 21.1807 145.391 -142.255 45.3334 -4.69078 62.2123 -160.987 1.99108 223.461 PRESSAVG: 4621200 -14.3126 -33.2216 -13.674 -33.2216 22.0101 13.6444 -13.674 13.6444 5.73898 GPRESSAVG: 4621200 -14.1888 -32.3865 -13.9556 -32.9132 21.804 11.5325 -15.2883 13.7798 5.40179 TIMING: 4621200 CPU: 13376.8, 0.00289749/step Wall: 13376.8, 0.00289749/step, 0.30488 hours remaining, 211.058594 MB of memory in use. ENERGY: 4621200 753.9056 2068.2820 1944.5896 121.1620 -206222.1296 17887.0378 0.0000 0.0000 34321.3785 -149125.7741 299.7371 -183447.1526 -149026.2515 298.9059 42.6242 79.9837 557040.3354 4.4788 4.3390 PRESSURE: 4621400 39.9864 -126.715 -37.6552 -126.715 -33.4835 190.912 -37.6551 190.91 100.808 GPRESSURE: 4621400 -0.993677 -129.629 -73.1058 -36.4097 21.1688 228.936 -20.6525 139.962 189.923 PRESSAVG: 4621400 4.55881 -61.3153 -49.2812 -61.3154 14.171 56.3558 -49.2812 56.3559 -29.7803 GPRESSAVG: 4621400 4.08828 -60.3109 -50.0031 -62.6996 14.9044 59.8714 -48.6167 54.9933 -29.6578 TIMING: 4621400 CPU: 13377.4, 0.00290153/step Wall: 13377.4, 0.00290153/step, 0.305144 hours remaining, 211.058594 MB of memory in use. ENERGY: 4621400 736.9844 2109.1816 1957.3433 114.5678 -206011.8183 17798.0108 0.0000 0.0000 34146.7547 -149148.9756 298.2121 -183295.7303 -149046.9497 299.4476 35.7702 70.0327 557974.3947 -3.6835 -3.5551 PRESSURE: 4621600 -168.342 -45.8105 -144.396 -45.811 52.8759 18.7616 -144.396 18.7618 142.452 GPRESSURE: 4621600 -106.936 -70.8348 -190.322 -80.5609 99.7637 11.2097 -132.428 -35.8911 131.891 PRESSAVG: 4621600 -21.0463 -2.79774 -40.1666 -2.79771 -0.747292 -27.4918 -40.1666 -27.492 -36.6598 GPRESSAVG: 4621600 -21.8366 -2.71196 -43.3006 -2.20938 -0.260202 -30.6003 -37.7025 -25.8698 -37.2873 TIMING: 4621600 CPU: 13377.9, 0.00290164/step Wall: 13377.9, 0.00290164/step, 0.304994 hours remaining, 211.058594 MB of memory in use. ENERGY: 4621600 738.8671 2083.9261 1921.2899 118.2105 -206132.2637 17755.3974 0.0000 0.0000 34431.5306 -149083.0422 300.6991 -183514.5728 -148987.0364 299.4735 8.9952 41.5728 558452.4791 -19.4845 -19.7947 PRESSURE: 4621800 -152.656 -32.3954 -89.1956 -32.3946 -123.747 -21.6513 -89.1939 -21.6501 -54.6285 GPRESSURE: 4621800 -41.4812 -14.0204 -74.809 -135.053 -117.361 -31.2522 -133.541 -51.7089 -73.9597 PRESSAVG: 4621800 -21.1302 -31.3839 -71.9807 -31.3839 -12.4135 -36.2095 -71.9807 -36.2094 49.0408 GPRESSAVG: 4621800 -20.5298 -31.8772 -71.4926 -32.8374 -13.3313 -34.3567 -72.3045 -37.2653 49.4006 TIMING: 4621800 CPU: 13378.5, 0.00293435/step Wall: 13378.5, 0.00293435/step, 0.30827 hours remaining, 211.058594 MB of memory in use. ENERGY: 4621800 766.8521 2126.9729 1916.9150 125.9076 -206035.2100 17666.0594 0.0000 0.0000 34187.5859 -149244.9171 298.5687 -183432.5030 -149149.1575 299.3168 -110.3440 -77.6008 557954.8419 5.1657 5.1798 PRESSURE: 4622000 62.7262 -67.2595 150.77 -67.2598 -9.13231 143.824 150.77 143.823 57.6563 GPRESSURE: 4622000 125.48 -93.0682 176.032 -8.70089 17.0258 114.068 97.562 204.591 58.6711 PRESSAVG: 4622000 8.36597 -48.621 0.677436 -48.621 -16.3028 6.42567 0.677476 6.42558 45.0167 GPRESSAVG: 4622000 9.10314 -50.2369 1.85729 -47.4113 -16.0354 6.1984 1.05461 8.60172 44.0692 TIMING: 4622000 CPU: 13379.1, 0.00287949/step Wall: 13379.1, 0.00287949/step, 0.302347 hours remaining, 211.058594 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: 4622000 780.0682 2094.2617 1947.0203 115.7397 -206389.6728 17972.5921 0.0000 0.0000 34303.6472 -149176.3437 299.5823 -183479.9910 -149077.3900 298.4276 37.0834 67.0591 556646.8893 12.3600 12.3790 PRESSURE: 4622200 -83.6721 17.0805 175.822 17.0804 -33.441 -72.4272 175.822 -72.4283 -185.101 GPRESSURE: 4622200 -56.2765 -0.403922 172.474 -9.85124 -27.3692 -34.48 197.617 -134.212 -101.087 PRESSAVG: 4622200 -8.55563 -29.918 -8.22493 -29.918 -17.9729 21.6039 -8.22488 21.6039 -25.1761 GPRESSAVG: 4622200 -9.5387 -29.2809 -8.8684 -31.4936 -18.0014 22.5614 -10.3239 18.4915 -24.6156 TIMING: 4622200 CPU: 13379.7, 0.00286335/step Wall: 13379.7, 0.00286335/step, 0.300493 hours remaining, 211.058594 MB of memory in use. ENERGY: 4622200 715.3936 2053.3138 1953.4396 136.3550 -206313.0607 18037.5685 0.0000 0.0000 34356.7034 -149060.2869 300.0456 -183416.9903 -148969.8175 299.5957 -100.7380 -61.5777 559086.7325 -17.2349 -17.3852 PRESSURE: 4622400 136.438 -33.7841 102.915 -33.7847 -32.9571 -46.7269 102.914 -46.7288 137.243 GPRESSURE: 4622400 184.098 32.6707 38.0202 -33.9964 -31.9614 -56.8371 99.0707 2.52961 172.242 PRESSAVG: 4622400 51.3673 22.4133 4.29747 22.4133 -49.841 7.0744 4.2974 7.07444 -5.57073 GPRESSAVG: 4622400 52.3095 21.9714 3.19653 24.7638 -49.7161 4.99444 4.50579 9.35835 -6.3718 TIMING: 4622400 CPU: 13380.2, 0.00286956/step Wall: 13380.2, 0.00286956/step, 0.300985 hours remaining, 211.058594 MB of memory in use. ENERGY: 4622400 715.1981 2084.0762 1978.8007 115.5655 -206125.8330 17932.4374 0.0000 0.0000 34266.7607 -149032.9945 299.2601 -183299.7552 -148933.5599 299.4472 80.2411 108.1260 557848.3857 -1.3481 -1.2595 PRESSURE: 4622600 42.315 86.2272 2.0489 86.2275 -40.6131 97.1796 2.04854 97.1788 9.42351 GPRESSURE: 4622600 68.3161 52.265 52.1775 187.902 4.48546 67.1801 -40.7719 108.736 38.0021 PRESSAVG: 4622600 31.6344 20.5145 -16.1112 20.5145 13.6292 -10.4194 -16.1112 -10.4195 -54.6906 GPRESSAVG: 4622600 30.9246 22.7543 -15.9439 18.0267 12.75 -8.46309 -13.5047 -11.6679 -53.2555 TIMING: 4622600 CPU: 13380.8, 0.00287341/step Wall: 13380.8, 0.00287341/step, 0.301229 hours remaining, 211.058594 MB of memory in use. ENERGY: 4622600 784.2361 2072.6183 1941.2339 105.3066 -206122.7094 17836.9258 0.0000 0.0000 34399.5427 -148982.8460 300.4198 -183382.3887 -148884.6102 299.4569 3.7085 36.9345 558633.7829 -3.1423 -3.1936 PRESSURE: 4622800 -348.897 -142.58 185.355 -142.58 -199.998 -58.5193 185.355 -58.5184 -219.647 GPRESSURE: 4622800 -335.503 -178.399 101.368 -110.368 -125.94 -5.29193 171.68 -169.94 -229.137 PRESSAVG: 4622800 -17.5386 22.6666 -0.369873 22.6666 -0.0592311 -11.1575 -0.369877 -11.1576 34.7576 GPRESSAVG: 4622800 -17.5453 21.9858 -0.389522 23.9582 1.09608 -13.7309 -2.91539 -11.6099 33.6263 TIMING: 4622800 CPU: 13381.4, 0.0028589/step Wall: 13381.4, 0.0028589/step, 0.299549 hours remaining, 211.058594 MB of memory in use. ENERGY: 4622800 717.1783 2073.3311 1934.1999 107.1049 -205868.4275 17589.4740 0.0000 0.0000 34456.4489 -148990.6905 300.9167 -183447.1395 -148897.2995 299.9985 -256.1807 -230.1934 559053.5617 5.7199 5.7257 PRESSURE: 4623000 -71.3965 21.2505 -67.3668 21.2495 158.865 115.556 -67.3668 115.555 -101.393 GPRESSURE: 4623000 -34.5598 54.197 -34.4304 -12.6392 140.941 110.748 -91.6931 189.485 -31.9892 PRESSAVG: 4623000 11.0384 0.566742 22.3335 0.566688 49.8362 92.7829 22.3334 92.783 -3.48488 GPRESSAVG: 4623000 11.8835 -0.3381 23.0508 0.111795 48.6927 93.8376 22.4507 93.9225 -3.68323 TIMING: 4623000 CPU: 13382, 0.00287252/step Wall: 13382, 0.00287252/step, 0.300817 hours remaining, 211.058594 MB of memory in use. ENERGY: 4623000 719.0852 2052.4919 1934.0316 111.4794 -206040.4084 17770.9821 0.0000 0.0000 34383.5278 -149068.8104 300.2799 -183452.3382 -148973.7186 299.9882 -4.6414 24.7974 558515.7143 19.1299 18.9643 PRESSURE: 4623200 206.5 -142.762 -172.391 -142.764 238.666 -1.88126 -172.391 -1.8833 139.889 GPRESSURE: 4623200 245.157 -165.794 -147.206 -71.1735 252.324 27.8851 -213.056 -11.658 192.241 PRESSAVG: 4623200 0.566433 -40.4366 5.99063 -40.4365 -7.64079 23.8309 5.99061 23.8309 13.1234 GPRESSAVG: 4623200 -0.273252 -37.6173 6.68765 -41.4865 -7.90221 23.9708 5.17747 23.4394 13.6143 TIMING: 4623200 CPU: 13382.5, 0.00287919/step Wall: 13382.5, 0.00287919/step, 0.301355 hours remaining, 211.058594 MB of memory in use. ENERGY: 4623200 720.2650 2093.7416 1932.4017 104.4227 -205892.9992 17957.7234 0.0000 0.0000 34400.8526 -148683.5922 300.4312 -183084.4448 -148592.2576 299.4289 195.0180 229.9075 558575.3211 2.0163 1.8129 PRESSURE: 4623400 -160.34 -119.447 101.148 -119.447 -106.499 78.167 101.148 78.1663 -202.609 GPRESSURE: 4623400 -103.24 -137.042 189.604 -100.174 -101.638 132.513 90.1097 46.0211 -163.532 PRESSAVG: 4623400 22.5689 38.0297 -2.40255 38.0297 24.2421 6.25908 -2.40268 6.25911 -65.5689 GPRESSAVG: 4623400 23.0309 35.7144 -1.82107 39.6523 23.8569 6.5207 -2.02687 7.14754 -66.232 TIMING: 4623400 CPU: 13383.1, 0.00289308/step Wall: 13383.1, 0.00289308/step, 0.302648 hours remaining, 211.058594 MB of memory in use. ENERGY: 4623400 741.5382 2113.4302 1933.1707 103.1275 -205804.2217 17706.3460 0.0000 0.0000 34450.2579 -148756.3512 300.8627 -183206.6091 -148666.0820 300.3039 -156.4827 -122.8034 560540.3868 -6.2526 -6.4481 PRESSURE: 4623600 -153.853 149.279 -220.018 149.278 171.19 79.9523 -220.018 79.9513 70.6537 GPRESSURE: 4623600 -118.721 210.987 -254.926 153.656 243.288 14.9438 -155.243 54.577 56.6982 PRESSAVG: 4623600 -77.4651 43.0802 -50.9803 43.0803 7.13798 18.5035 -50.9802 18.5035 43.8758 GPRESSAVG: 4623600 -78.9822 43.9537 -53.331 41.5372 8.66786 17.0803 -49.0568 20.0058 44.2149 TIMING: 4623600 CPU: 13383.7, 0.00290252/step Wall: 13383.7, 0.00290252/step, 0.303475 hours remaining, 211.058594 MB of memory in use. ENERGY: 4623600 745.0772 2101.4299 1928.7955 118.5715 -206104.8426 17977.1103 0.0000 0.0000 34440.1150 -148793.7431 300.7741 -183233.8581 -148700.8692 300.2034 29.3302 60.4218 559337.1273 -8.8171 -8.6998 PRESSURE: 4623800 -5.01815 -4.55368 25.6531 -4.55356 173.87 82.6771 25.6514 82.6775 309.468 GPRESSURE: 4623800 53.7809 -32.2727 70.7034 21.7905 218.946 55.8293 17.7477 65.8431 310.642 PRESSAVG: 4623800 21.2159 -6.69445 -10.5907 -6.69446 -12.1413 28.8666 -10.5906 28.8666 28.4093 GPRESSAVG: 4623800 22.712 -5.92823 -9.85734 -5.72443 -14.2324 30.0749 -13.1796 26.7996 28.8 TIMING: 4623800 CPU: 13384.3, 0.00286931/step Wall: 13384.3, 0.00286931/step, 0.299843 hours remaining, 211.058594 MB of memory in use. ENERGY: 4623800 757.4837 2057.5524 1922.2930 113.6080 -206337.9922 18077.3384 0.0000 0.0000 34610.4352 -148799.2815 302.2615 -183409.7167 -148707.5026 300.6715 159.4400 194.4566 556831.5034 12.4947 12.4265 PRESSURE: 4624000 -121.05 -98.6136 287.252 -98.6123 75.9087 -228.126 287.252 -228.126 -226.639 GPRESSURE: 4624000 -38.6321 -151.755 263.265 -100.779 38.9057 -141.615 328.473 -242.284 -173.652 PRESSAVG: 4624000 -3.56161 -44.2515 67.7222 -44.2515 39.5306 -6.63716 67.7222 -6.63723 -49.597 GPRESSAVG: 4624000 -3.24815 -44.7488 69.8983 -45.5255 39.6237 -6.19263 67.0998 -5.87733 -49.8918 TIMING: 4624000 CPU: 13384.8, 0.00287052/step Wall: 13384.8, 0.00287052/step, 0.29981 hours remaining, 211.058594 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: 4624000 775.6379 2127.4657 1936.3819 113.2831 -205850.7984 17517.9797 0.0000 0.0000 34325.7657 -149054.2843 299.7754 -183380.0501 -148964.7622 300.4102 -90.5933 -57.7927 557158.8625 -4.5427 -4.5054 PRESSURE: 4624200 -14.7121 91.127 -181.87 91.1261 -181.514 -30.7932 -181.871 -30.7937 92.014 GPRESSURE: 4624200 0.251586 63.077 -260.127 118.621 -149 -12.0739 -111.825 65.3825 145.72 PRESSAVG: 4624200 40.0396 -6.23983 24.8539 -6.23981 16.4506 -4.99318 24.8538 -4.99313 -39.9216 GPRESSAVG: 4624200 38.3801 -6.22419 23.107 -5.25177 18.4164 -6.08832 25.2083 -5.03512 -40.117 TIMING: 4624200 CPU: 13385.4, 0.00284582/step Wall: 13385.4, 0.00284582/step, 0.297072 hours remaining, 211.058594 MB of memory in use. ENERGY: 4624200 751.5352 2083.3629 1967.0168 117.6988 -206008.2683 17694.1381 0.0000 0.0000 34212.1026 -149182.4139 298.7828 -183394.5165 -149088.5379 300.1767 -34.7375 -1.0094 557373.2325 5.5229 5.5598 LDB: ============= START OF LOAD BALANCING ============== 13388.8 LDB: ============== END OF LOAD BALANCING =============== 13388.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13388.8 LDB: ============= START OF LOAD BALANCING ============== 13389.1 LDB: Largest compute 4772 load 0.027203 is 23.0% of average load 0.118092 LDB: Average compute 0.001735 is 1.5% of average load 0.118092 LDB: TIME 13389.1 LOAD: AVG 0.118092 MAX 0.178128 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.125 MB LDB: TIME 13389.1 LOAD: AVG 0.118092 MAX 0.178128 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.188 MB LDB: TIME 13389.1 LOAD: AVG 0.118092 MAX 0.178128 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.188 MB LDB: ============== END OF LOAD BALANCING =============== 13389.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13389.1 PRESSURE: 4624400 -161.683 81.4554 101.538 81.4544 -129.935 -9.91927 101.538 -9.92003 -226.37 GPRESSURE: 4624400 -192.198 78.8662 75.5155 71.3068 -73.0084 -36.2749 123.358 -26.2994 -147.555 PRESSAVG: 4624400 -9.60526 -24.7923 -3.83011 -24.7923 -0.515828 13.1149 -3.83005 13.1148 23.5938 GPRESSAVG: 4624400 -7.85502 -26.0283 -4.16569 -25.7605 -2.06107 15.1165 -4.399 12.4776 23.7881 TIMING: 4624400 CPU: 13386, 0.00294068/step Wall: 13386, 0.00294068/step, 0.30681 hours remaining, 209.843750 MB of memory in use. ENERGY: 4624400 741.6320 2092.5336 1958.5313 115.7368 -206248.1545 17552.5276 0.0000 0.0000 34405.7429 -149381.4503 300.4739 -183787.1932 -149275.6976 299.2229 -172.6628 -137.5871 557410.7135 4.4909 4.6240 PRESSURE: 4624600 -226.795 45.7801 -84.5724 45.7796 -96.1123 -153.461 -84.5728 -153.462 -153.173 GPRESSURE: 4624600 -243.885 53.1384 -8.80472 26.4703 -73.7209 -169.259 -97.962 -123.584 -56.4157 PRESSAVG: 4624600 -51.2436 -27.8759 -12.9998 -27.876 61.6854 -15.6568 -12.9998 -15.6568 0.98487 GPRESSAVG: 4624600 -51.2395 -26.8821 -12.1654 -27.5077 61.5035 -16.3027 -12.3145 -18.1062 1.80687 TIMING: 4624600 CPU: 13386.6, 0.00287422/step Wall: 13386.6, 0.00287422/step, 0.299717 hours remaining, 209.843750 MB of memory in use. ENERGY: 4624600 772.2741 2085.7033 1947.0548 107.3122 -205921.3887 17490.6902 0.0000 0.0000 34269.6496 -149248.7045 299.2854 -183518.3540 -149154.2935 299.5578 -158.6934 -124.6737 557019.5725 3.8089 4.0236 PRESSURE: 4624800 105.309 -42.324 155.302 -42.3238 68.817 42.1467 155.302 42.1472 -75.1981 GPRESSURE: 4624800 139.906 -8.53942 45.0887 27.8315 90.6113 127.605 207.856 43.7701 -35.6319 PRESSAVG: 4624800 -12.7514 51.9536 24.2978 51.9536 -8.63554 18.0563 24.2977 18.0563 41.7188 GPRESSAVG: 4624800 -12.4005 50.2129 21.7771 54.5876 -8.94969 18.1244 26.1084 19.0069 41.6569 TIMING: 4624800 CPU: 13387.2, 0.00289488/step Wall: 13387.2, 0.00289488/step, 0.301711 hours remaining, 209.843750 MB of memory in use. ENERGY: 4624800 690.0400 2071.6738 1912.8801 107.8857 -206126.0771 17849.5565 0.0000 0.0000 34182.2454 -149311.7955 298.5221 -183494.0409 -149213.7370 298.8238 32.9760 64.9618 557578.8838 6.7773 6.7689 PRESSURE: 4625000 4.2603 68.7695 2.3851 68.7685 -193.323 -64.8654 2.38416 -64.8655 -2.41817 GPRESSURE: 4625000 33.7706 -0.966226 -39.0459 176.517 -181.689 -95.2736 3.3222 -39.3592 64.1916 PRESSAVG: 4625000 -21.4539 3.15086 2.5229 3.15088 3.32461 17.6922 2.52288 17.6921 -31.7866 GPRESSAVG: 4625000 -22.5879 5.23168 3.65629 2.15425 4.42822 16.8035 2.20383 19.4043 -31.4199 TIMING: 4625000 CPU: 13387.7, 0.00287014/step Wall: 13387.7, 0.00287014/step, 0.298973 hours remaining, 209.843750 MB of memory in use. ENERGY: 4625000 736.4629 2074.0358 1924.2152 128.2676 -206296.5912 17790.7202 0.0000 0.0000 34366.9142 -149275.9753 300.1348 -183642.8895 -149179.9850 299.5031 -63.8271 -27.9090 557973.9619 -16.6386 -16.5265 PRESSURE: 4625200 81.8084 13.6233 -46.8312 13.6247 130.951 -31.9198 -46.8311 -31.9209 0.852015 GPRESSURE: 4625200 82.4126 -48.1085 -62.3175 -5.54855 179.602 11.4373 -75.8799 -57.2493 32.5439 PRESSAVG: 4625200 48.0808 15.9302 5.71867 15.9302 18 94.4611 5.71871 94.461 -45.0351 GPRESSAVG: 4625200 48.2987 16.3927 5.96115 13.0373 17.9867 95.7451 4.15011 93.0438 -45.4603 TIMING: 4625200 CPU: 13388.3, 0.00288865/step Wall: 13388.3, 0.00288865/step, 0.300741 hours remaining, 209.843750 MB of memory in use. ENERGY: 4625200 756.7182 2077.7367 1936.3098 118.9704 -206309.4492 17949.1704 0.0000 0.0000 34104.0873 -149366.4564 297.8395 -183470.5437 -149273.6963 299.0646 71.2038 98.1862 556828.8647 7.0152 6.9417 PRESSURE: 4625400 -49.8508 -97.9982 -85.9951 -97.9974 -303.744 121.183 -85.9948 121.184 -102.68 GPRESSURE: 4625400 43.8771 -103.174 -144.866 -28.4497 -292.267 41.5409 -74.9251 102.201 -110.143 PRESSAVG: 4625400 21.4461 -40.0354 5.69003 -40.0354 11.9068 43.3425 5.69008 43.3424 22.1761 GPRESSAVG: 4625400 21.4816 -40.7958 6.27832 -37.1785 11.6379 40.5516 3.6921 45.4087 22.3428 TIMING: 4625400 CPU: 13388.9, 0.00287699/step Wall: 13388.9, 0.00287699/step, 0.299367 hours remaining, 209.843750 MB of memory in use. ENERGY: 4625400 736.3853 2116.4017 1943.0393 131.1491 -206230.9042 17731.7214 0.0000 0.0000 34312.8456 -149259.3618 299.6626 -183572.2074 -149173.6581 298.8329 -152.0918 -119.5109 559163.0127 18.5096 18.4874 PRESSURE: 4625600 -49.9461 162.606 -67.4792 162.606 -18.4597 -208.847 -67.4795 -208.847 102.683 GPRESSURE: 4625600 -33.5445 176.366 -57.1118 209.795 36.5953 -202.669 -78.3504 -159.307 121.69 PRESSAVG: 4625600 -69.5862 -6.34698 -46.4378 -6.34696 50.7723 18.6932 -46.4377 18.6932 -16.8271 GPRESSAVG: 4625600 -68.8586 -6.96583 -46.3839 -5.14393 49.938 21.3065 -45.0786 16.1207 -17.1743 TIMING: 4625600 CPU: 13389.5, 0.00286127/step Wall: 13389.5, 0.00286127/step, 0.297572 hours remaining, 209.843750 MB of memory in use. ENERGY: 4625600 751.4122 2050.0209 1936.1686 98.9713 -206495.6259 18007.7156 0.0000 0.0000 34290.7702 -149360.5671 299.4698 -183651.3374 -149265.5747 298.7559 11.4256 41.5802 556956.0612 -11.8804 -12.0316 PRESSURE: 4625800 -143.255 -164.144 -64.5927 -164.144 -58.0082 139.956 -64.5923 139.956 -242.141 GPRESSURE: 4625800 -134.349 -190.912 -86.0702 -52.8025 -32.1526 170.727 10.422 91.5503 -172.858 PRESSAVG: 4625800 5.33348 21.5003 -33.1986 21.5003 -32.4174 -9.60481 -33.1986 -9.60475 54.7919 GPRESSAVG: 4625800 3.7561 21.1388 -36.5119 19.1645 -31.5003 -10.2196 -32.3195 -8.67042 55.1859 TIMING: 4625800 CPU: 13390, 0.00286135/step Wall: 13390, 0.00286135/step, 0.297422 hours remaining, 209.843750 MB of memory in use. ENERGY: 4625800 758.7477 2053.8490 1957.9133 113.8854 -206207.1825 17750.0175 0.0000 0.0000 34254.4723 -149318.2974 299.1528 -183572.7696 -149228.7609 299.4797 -147.8015 -113.1199 557038.8721 9.2360 9.1472 PRESSURE: 4626000 118.66 -70.9436 7.44879 -70.9425 -111.878 175.429 7.44784 175.427 -152.067 GPRESSURE: 4626000 165.554 -64.1547 -16.8622 -86.6284 -94.0756 185.688 -34.9445 218.342 -124.261 PRESSAVG: 4626000 71.259 5.70862 -33.5133 5.70864 -51.7598 7.29877 -33.5133 7.2988 -30.0539 GPRESSAVG: 4626000 73.1076 6.90329 -31.4747 5.79468 -51.0973 8.17703 -35.6168 8.04378 -32.5642 TIMING: 4626000 CPU: 13390.6, 0.00287836/step Wall: 13390.6, 0.00287836/step, 0.29903 hours remaining, 209.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4626000 774.3646 2074.4106 1957.6200 106.6108 -206374.2192 17792.7559 0.0000 0.0000 34196.8069 -149471.6503 298.6492 -183668.4572 -149375.4098 298.9044 -48.4283 -17.5942 557487.3494 -3.5183 -3.5180 PRESSURE: 4626200 -142.635 98.1139 159.569 98.1143 87.0476 276.217 159.568 276.217 157.317 GPRESSURE: 4626200 -132.358 139.199 142.548 5.83512 149.253 226.048 165.112 246.587 172.652 PRESSAVG: 4626200 25.3445 -75.04 6.40364 -75.04 -7.63375 31.6299 6.40353 31.63 -3.03713 GPRESSAVG: 4626200 25.091 -77.0645 6.77839 -75.166 -7.93298 29.9088 6.93075 33.3519 -2.18841 TIMING: 4626200 CPU: 13391.2, 0.00290421/step Wall: 13391.2, 0.00290421/step, 0.301554 hours remaining, 209.843750 MB of memory in use. ENERGY: 4626200 764.6286 2110.1818 1936.1338 131.6817 -206529.1396 17970.7692 0.0000 0.0000 34294.2811 -149321.4634 299.5005 -183615.7444 -149229.3387 299.0048 33.9098 63.1821 555779.4564 4.8912 4.9899 PRESSURE: 4626400 -327.633 105.033 -130.693 105.033 -29.9482 -119.594 -130.692 -119.596 -229.661 GPRESSURE: 4626400 -285.629 93.4394 -26.6783 2.11854 4.49278 -79.5442 -112.256 -141.771 -201.615 PRESSAVG: 4626400 -18.2337 -20.2096 8.75609 -20.2095 30.0009 26.598 8.7561 26.5979 -24.5395 GPRESSAVG: 4626400 -17.4359 -19.5755 8.73535 -21.0342 28.6495 28.5972 9.14103 23.5773 -23.6652 TIMING: 4626400 CPU: 13391.8, 0.00290767/step Wall: 13391.8, 0.00290767/step, 0.301752 hours remaining, 209.859375 MB of memory in use. ENERGY: 4626400 751.9354 2116.6931 1926.2115 98.0473 -206100.7727 17490.2387 0.0000 0.0000 34298.9045 -149418.7421 299.5409 -183717.6466 -149320.7896 299.0697 -195.7471 -160.9171 557095.0673 -4.2575 -4.1505 PRESSURE: 4626600 -241.161 74.6758 -57.2734 74.6752 -74.6613 103.067 -57.2746 103.067 -56.3079 GPRESSURE: 4626600 -144.627 -11.6608 -9.04847 147.58 -37.3985 53.1415 -36.1926 94.6468 -94.7006 PRESSAVG: 4626600 14.4724 3.12791 7.36243 3.12779 9.83975 5.20687 7.36243 5.2068 -6.75894 GPRESSAVG: 4626600 12.9471 2.55207 7.12913 2.84946 11.0952 2.82476 8.27998 7.27265 -6.51146 TIMING: 4626600 CPU: 13392.3, 0.0029/step Wall: 13392.3, 0.0029/step, 0.300794 hours remaining, 209.859375 MB of memory in use. ENERGY: 4626600 735.5985 2048.2750 1909.2100 106.8278 -205755.2724 17643.7819 0.0000 0.0000 33947.0409 -149364.5383 296.4680 -183311.5792 -149271.7139 299.0294 -124.0435 -92.2420 558561.9170 5.8511 5.8436 PRESSURE: 4626800 95.3164 61.3616 -2.65922 61.3612 -11.3193 8.8554 -2.65786 8.85483 275.334 GPRESSURE: 4626800 109.416 74.7779 -31.9723 -26.1197 -23.019 100.634 -2.69327 -35.2364 372.334 PRESSAVG: 4626800 21.5745 26.4554 -21.6038 26.4554 -26.5343 -8.68503 -21.6038 -8.68503 81.4858 GPRESSAVG: 4626800 22.9312 28.4079 -20.3432 26.3319 -27.918 -7.19661 -21.78 -9.54396 82.4019 TIMING: 4626800 CPU: 13392.9, 0.00289797/step Wall: 13392.9, 0.00289797/step, 0.300422 hours remaining, 209.859375 MB of memory in use. ENERGY: 4626800 707.8484 2058.5530 1942.4007 118.6239 -206427.3034 18018.9805 0.0000 0.0000 34204.6338 -149376.2630 298.7176 -183580.8968 -149276.6830 299.0105 119.7770 152.9103 556809.1824 25.5087 25.8050 PRESSURE: 4627000 16.7997 107.874 36.5612 107.873 49.3942 -100.63 36.5607 -100.63 -63.1849 GPRESSURE: 4627000 45.6056 173.634 -10.5017 115.928 68.6938 -121.691 37.3122 -124.06 -19.1431 PRESSAVG: 4627000 -21.297 63.8169 -44.835 63.817 47.3513 16.6567 -44.835 16.6566 -29.2871 GPRESSAVG: 4627000 -21.6932 62.9742 -45.2669 63.9888 48.6215 16.4853 -44.296 17.9866 -30.5949 TIMING: 4627000 CPU: 13393.5, 0.00288115/step Wall: 13393.5, 0.00288115/step, 0.298519 hours remaining, 209.859375 MB of memory in use. ENERGY: 4627000 728.5670 2166.0245 1953.6549 109.2596 -206445.0546 17880.8993 0.0000 0.0000 34253.5908 -149353.0585 299.1451 -183606.6493 -149257.6236 298.7718 1.0030 31.7187 557747.5072 -1.0776 -1.2222 PRESSURE: 4627200 -47.7594 128.759 -92.6524 128.76 -32.359 9.42035 -92.6504 9.42162 208.215 GPRESSURE: 4627200 8.10351 86.2615 -63.3385 136.961 -29.3728 46.2996 -131.568 25.7647 249.367 PRESSAVG: 4627200 3.34021 48.5933 -16.6704 48.5934 -43.2569 -9.28689 -16.6703 -9.28691 40.014 GPRESSAVG: 4627200 3.06765 47.3416 -18.0208 50.4414 -43.0814 -10.2949 -17.0648 -10.4285 39.9458 TIMING: 4627200 CPU: 13394.1, 0.00289601/step Wall: 13394.1, 0.00289601/step, 0.299897 hours remaining, 209.859375 MB of memory in use. ENERGY: 4627200 738.3797 2097.8572 1965.3712 127.8961 -206287.8066 17825.4019 0.0000 0.0000 34269.7164 -149263.1841 299.2860 -183532.9005 -149162.7712 299.5852 42.6987 76.0327 558010.5317 0.0324 -0.0227 PRESSURE: 4627400 -322.281 -34.8044 -47.4245 -34.803 -61.7802 129.055 -47.4246 129.056 3.88051 GPRESSURE: 4627400 -211.817 -89.0064 -93.3906 -51.7714 -97.2853 189.693 -36.5822 119.097 33.7291 PRESSAVG: 4627400 -31.7089 3.28792 -27.854 3.28788 34.2239 55.2169 -27.8539 55.217 12.2318 GPRESSAVG: 4627400 -31.1625 4.00035 -28.7551 4.17295 33.1192 55.1353 -26.7086 56.3532 13.2355 TIMING: 4627400 CPU: 13394.7, 0.00290499/step Wall: 13394.7, 0.00290499/step, 0.300666 hours remaining, 209.859375 MB of memory in use. ENERGY: 4627400 745.2557 2116.4739 1935.6232 112.0955 -206065.1884 17734.4695 0.0000 0.0000 34177.8288 -149243.4416 298.4835 -183421.2705 -149146.5854 298.7818 -126.7268 -91.7911 559186.0362 4.9156 5.0641 PRESSURE: 4627600 -120.591 -137.991 94.5726 -137.991 -302.627 121.652 94.5704 121.653 60.8656 GPRESSURE: 4627600 -87.5887 -55.1006 86.0239 -166.255 -305.766 65.2478 110.988 97.3294 134.877 PRESSAVG: 4627600 5.09021 -2.19964 37.4111 -2.19972 -39.923 7.84264 37.411 7.84273 37.3776 GPRESSAVG: 4627600 4.92698 -0.0572416 38.6177 -5.19048 -39.3491 7.61088 33.5095 7.15324 36.3027 TIMING: 4627600 CPU: 13395.2, 0.00289718/step Wall: 13395.2, 0.00289718/step, 0.299697 hours remaining, 209.859375 MB of memory in use. ENERGY: 4627600 797.6077 2114.3989 1973.3728 98.4808 -206408.5333 17933.4114 0.0000 0.0000 34281.0157 -149210.2460 299.3846 -183491.2617 -149115.9719 299.6413 -120.7841 -86.1592 557511.4324 0.8483 0.6268 PRESSURE: 4627800 -97.2303 0.32626 130.9 0.326634 -51.7909 -196.485 130.9 -196.485 46.7035 GPRESSURE: 4627800 -77.3126 -43.8505 120.652 9.54584 -3.15613 -229.575 128.343 -269.542 66.2733 PRESSAVG: 4627800 54.3093 -39.0258 18.1454 -39.0259 -66.7213 10.5566 18.1452 10.5565 39.6617 GPRESSAVG: 4627800 54.4621 -41.1266 18.0379 -36.9499 -66.2726 9.65517 19.7236 11.259 39.3464 TIMING: 4627800 CPU: 13395.8, 0.0028946/step Wall: 13395.8, 0.0028946/step, 0.29927 hours remaining, 209.859375 MB of memory in use. ENERGY: 4627800 705.3189 2100.5140 1912.7758 114.5558 -206212.2377 17810.2302 0.0000 0.0000 34319.5860 -149249.2570 299.7215 -183568.8430 -149156.6258 298.9938 -34.1059 -4.7318 557778.0433 9.0832 9.1786 PRESSURE: 4628000 -187.873 176.022 -24.8202 176.022 -160.551 -113.679 -24.8187 -113.679 49.7437 GPRESSURE: 4628000 -170.788 193.696 -77.0894 136.322 -77.0408 -174.582 15.4056 -69.9032 53.5849 PRESSAVG: 4628000 -57.2558 -1.43923 -39.133 -1.43933 -36.2728 13.0897 -39.1329 13.0898 70.2981 GPRESSAVG: 4628000 -57.7319 -1.11217 -38.8159 -0.581167 -36.6175 13.3564 -38.0619 12.7486 71.0963 TIMING: 4628000 CPU: 13396.4, 0.00287892/step Wall: 13396.4, 0.00287892/step, 0.297488 hours remaining, 209.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4628000 759.9833 2082.2184 1914.7005 104.7624 -206106.9452 17772.0034 0.0000 0.0000 34122.8623 -149350.4149 298.0034 -183473.2772 -149249.6988 299.0954 -99.5601 -64.7479 557896.2183 -7.7435 -7.7510 PRESSURE: 4628200 -141.83 -77.7619 -105.195 -77.7615 5.42219 -13.1714 -105.195 -13.1736 -61.4336 GPRESSURE: 4628200 -141.622 -88.9711 -75.8159 -108.652 29.779 -26.5281 -107.205 35.6855 5.99922 PRESSAVG: 4628200 -87.4689 -66.9985 -62.5461 -66.9985 62.3889 16.5295 -62.5462 16.5295 11.4007 GPRESSAVG: 4628200 -87.5287 -65.7863 -62.3723 -67.9161 62.0548 16.8184 -62.1348 14.6869 12.4842 TIMING: 4628200 CPU: 13397, 0.00286521/step Wall: 13397, 0.00286521/step, 0.295913 hours remaining, 209.859375 MB of memory in use. ENERGY: 4628200 753.4029 2166.1928 1927.1111 107.4003 -206320.5202 17896.0451 0.0000 0.0000 34346.4322 -149123.9358 299.9559 -183470.3680 -149029.9992 299.0488 -65.9472 -35.2812 557616.7152 -4.5597 -4.3299 LDB: ============= START OF LOAD BALANCING ============== 13400.4 LDB: ============== END OF LOAD BALANCING =============== 13400.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13400.4 LDB: ============= START OF LOAD BALANCING ============== 13400.6 LDB: Largest compute 4773 load 0.027382 is 23.2% of average load 0.118035 LDB: Average compute 0.001728 is 1.5% of average load 0.118035 LDB: TIME 13400.6 LOAD: AVG 0.118035 MAX 0.182472 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.652 MB LDB: TIME 13400.6 LOAD: AVG 0.118035 MAX 0.182472 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.852 MB LDB: TIME 13400.6 LOAD: AVG 0.118035 MAX 0.182472 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.852 MB LDB: ============== END OF LOAD BALANCING =============== 13400.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13400.7 PRESSURE: 4628400 141.161 23.1002 -100.849 23.1012 54.1948 -43.9631 -100.849 -43.9613 -206.154 GPRESSURE: 4628400 133.94 -42.7321 -32.2487 88.3109 77.6981 -22.6313 -154.411 -77.5105 -140.464 PRESSAVG: 4628400 -5.72879 15.6724 -100.044 15.6723 65.1087 10.8781 -100.044 10.878 -30.9645 GPRESSAVG: 4628400 -6.96199 18.1445 -100.367 16.9886 66.22 10.907 -101.379 14.0266 -31.0703 TIMING: 4628400 CPU: 13397.6, 0.00293629/step Wall: 13397.6, 0.00293629/step, 0.30309 hours remaining, 211.140625 MB of memory in use. ENERGY: 4628400 741.1222 2055.9186 1957.5522 102.0008 -205626.1386 17697.8111 0.0000 0.0000 34018.3808 -149053.3529 297.0910 -183071.7337 -148957.0728 299.5205 -3.5995 23.7249 557387.8557 9.4718 9.3959 PRESSURE: 4628600 129.181 -100.18 -70.6338 -100.18 -279.671 65.6997 -70.6344 65.702 -75.9421 GPRESSURE: 4628600 98.2533 -6.51617 -15.029 -130.762 -234.484 44.397 -181.988 71.5003 15.7772 PRESSAVG: 4628600 49.9475 0.388363 -34.8345 0.388346 -8.78605 43.1739 -34.8345 43.1738 -28.6176 GPRESSAVG: 4628600 51.6485 -0.823942 -32.9775 -1.65537 -9.56618 44.9037 -35.5526 41.2923 -29.0849 TIMING: 4628600 CPU: 13398.1, 0.00288606/step Wall: 13398.1, 0.00288606/step, 0.297745 hours remaining, 211.406250 MB of memory in use. ENERGY: 4628600 707.8402 2095.7915 1941.8223 103.6827 -206321.9231 17783.0787 0.0000 0.0000 34496.6090 -149193.0987 301.2675 -183689.7077 -149091.3150 299.3270 -75.4775 -40.1512 558001.0278 4.1813 4.3325 PRESSURE: 4628800 21.3968 56.823 79.66 56.8233 -11.6654 -247.358 79.6596 -247.357 -169.705 GPRESSURE: 4628800 44.6772 122.728 29.1222 77.2337 0.948919 -226.361 35.8987 -267.97 -111.013 PRESSAVG: 4628800 -33.1237 -17.7662 -19.9767 -17.7662 12.8771 -33.5827 -19.9767 -33.5827 45.8617 GPRESSAVG: 4628800 -33.38 -18.1444 -22.5365 -18.1003 11.3277 -34.3373 -18.5237 -32.8527 47.4006 TIMING: 4628800 CPU: 13398.7, 0.00287412/step Wall: 13398.7, 0.00287412/step, 0.296354 hours remaining, 211.406250 MB of memory in use. ENERGY: 4628800 750.9675 2061.9813 1957.7229 117.0101 -205941.1549 17667.0587 0.0000 0.0000 34311.7075 -149074.7069 299.6527 -183386.4144 -148972.2005 299.7698 -53.3245 -21.7958 557309.7736 8.5384 8.4494 PRESSURE: 4629000 188.437 57.8613 -37.2874 57.8612 -90.9776 -48.6955 -37.2874 -48.6959 -145.582 GPRESSURE: 4629000 260.954 -16.3742 3.55961 30.9696 -101.203 -91.1331 -21.5412 -21.5011 -111.586 PRESSAVG: 4629000 29.6951 45.8042 -22.2358 45.8043 -19.4472 -35.4412 -22.2359 -35.4412 -26.1759 GPRESSAVG: 4629000 29.401 44.3219 -22.3326 48.4709 -16.8731 -36.7591 -20.1061 -35.681 -28.6273 TIMING: 4629000 CPU: 13399.3, 0.00288186/step Wall: 13399.3, 0.00288186/step, 0.296992 hours remaining, 211.406250 MB of memory in use. ENERGY: 4629000 750.2910 2094.0129 1939.1750 104.4153 -206158.1387 17765.2579 0.0000 0.0000 34454.7508 -149050.2357 300.9019 -183504.9865 -148954.3963 300.0126 -16.0409 16.0552 557327.7965 -5.3093 -5.3665 PRESSURE: 4629200 135.387 11.7572 -183.396 11.7564 28.1003 -68.6181 -183.394 -68.6179 398.75 GPRESSURE: 4629200 138.501 55.591 -182.091 82.0888 107.075 -56.7979 -108.209 -107.394 411.67 PRESSAVG: 4629200 26.982 97.4376 -12.4835 97.4376 -30.0595 4.64408 -12.4834 4.64409 41.3222 GPRESSAVG: 4629200 28.0376 98.2926 -9.94711 95.2426 -32.1026 4.86604 -14.7016 4.1842 42.3747 TIMING: 4629200 CPU: 13399.9, 0.00286902/step Wall: 13399.9, 0.00286902/step, 0.295509 hours remaining, 211.406250 MB of memory in use. ENERGY: 4629200 755.9154 2105.7482 1940.5638 110.1415 -206426.2631 18036.0290 0.0000 0.0000 34364.8802 -149112.9850 300.1170 -183477.8651 -149017.9997 300.0493 187.4123 219.0821 555963.2382 12.7483 12.7699 PRESSURE: 4629400 204.916 113.458 -91.187 113.458 -136.146 36.8001 -91.187 36.7992 107.765 GPRESSURE: 4629400 257.618 124.619 -74.7906 39.1603 -93.9327 98.0829 -146.584 8.38272 106.938 PRESSAVG: 4629400 34.0811 56.6325 -40.2489 56.6326 -52.2297 15.2937 -40.249 15.2936 14.7983 GPRESSAVG: 4629400 32.6192 57.2847 -41.9959 56.819 -50.7275 15.9415 -40.673 15.9334 14.1164 TIMING: 4629400 CPU: 13400.4, 0.00287703/step Wall: 13400.4, 0.00287703/step, 0.296174 hours remaining, 211.406250 MB of memory in use. ENERGY: 4629400 723.6853 2024.5874 1926.5735 115.7104 -206131.1406 17869.0142 0.0000 0.0000 34240.7273 -149230.8427 299.0328 -183471.5699 -149127.5656 299.3363 58.8449 90.2079 556909.3485 -1.1168 -1.3306 PRESSURE: 4629600 -104.061 -47.4254 -65.0648 -47.426 285.877 -87.0961 -65.0651 -87.0959 171.479 GPRESSURE: 4629600 -11.1515 14.2211 -73.9441 -79.2457 226.698 -101.425 -28.6256 -40.0616 229.039 PRESSAVG: 4629600 43.1972 68.3469 -35.7942 68.3468 -55.8295 26.1534 -35.7941 26.1534 20.2812 GPRESSAVG: 4629600 44.304 64.9109 -35.2939 69.0242 -55.8187 27.4372 -34.2067 25.4559 19.7575 TIMING: 4629600 CPU: 13401, 0.00287206/step Wall: 13401, 0.00287206/step, 0.295503 hours remaining, 211.406250 MB of memory in use. ENERGY: 4629600 731.9192 2101.4857 1917.0432 109.0626 -206341.8519 17976.6197 0.0000 0.0000 34512.6718 -148993.0496 301.4077 -183505.7214 -148904.9981 299.6202 117.7650 148.1952 557971.5591 2.5496 2.7476 PRESSURE: 4629800 172.668 -93.4732 -77.7524 -93.4727 278.633 91.9658 -77.7518 91.967 286.533 GPRESSURE: 4629800 226.318 -80.9231 -156.208 -0.940033 314.362 59.4723 -29.3792 69.7001 300.981 PRESSAVG: 4629800 6.48982 24.1952 20.4132 24.1951 8.32814 -6.62318 20.4133 -6.62329 20.6033 GPRESSAVG: 4629800 6.16158 26.9666 18.2219 23.2831 8.52194 -5.88077 19.9957 -7.93634 20.4656 TIMING: 4629800 CPU: 13401.6, 0.00288069/step Wall: 13401.6, 0.00288069/step, 0.296231 hours remaining, 211.406250 MB of memory in use. ENERGY: 4629800 756.4421 2056.1463 1958.6802 118.9678 -206019.8669 18063.6224 0.0000 0.0000 34205.3860 -148860.6223 298.7241 -183066.0083 -148765.0299 300.0147 245.9450 280.5538 557513.3981 11.8071 11.7164 PRESSURE: 4630000 -80.7262 77.3424 76.5659 77.3427 -35.0333 4.45897 76.5653 4.45829 -116.936 GPRESSURE: 4630000 -14.1608 38.7213 115.705 174.217 -8.61801 42.248 84.5718 11.5915 -84.9917 PRESSAVG: 4630000 -35.8582 -9.36018 3.19162 -9.36012 39.1654 -8.64967 3.19143 -8.64962 -4.62124 GPRESSAVG: 4630000 -36.8186 -8.15156 4.43364 -7.85011 40.3189 -11.202 1.33956 -6.34942 -4.68912 TIMING: 4630000 CPU: 13402.2, 0.00288548/step Wall: 13402.2, 0.00288548/step, 0.296563 hours remaining, 211.406250 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: 4630000 704.4539 2078.4500 1944.0502 110.5527 -205710.9378 17779.0051 0.0000 0.0000 34215.2839 -148879.1419 298.8106 -183094.4258 -148780.9520 300.4372 -77.5653 -35.9235 559379.1316 -0.4380 -0.3963 PRESSURE: 4630200 121.176 4.15736 -60.7713 4.15722 -100.728 -27.8822 -60.7715 -27.8818 -39.9197 GPRESSURE: 4630200 141.423 -44.3619 -56.6403 7.49033 -47.3084 13.7284 -160.979 24.9859 -16.3507 PRESSAVG: 4630200 -29.4672 -5.36935 13.778 -5.36945 17.9087 -1.32786 13.7779 -1.32781 -1.64186 GPRESSAVG: 4630200 -29.9812 -6.68125 13.488 -5.17913 16.876 -0.043803 14.3033 -1.46688 -0.936379 TIMING: 4630200 CPU: 13402.7, 0.00288427/step Wall: 13402.7, 0.00288427/step, 0.296278 hours remaining, 211.406250 MB of memory in use. ENERGY: 4630200 771.6167 2043.0211 1949.8490 108.0407 -205616.0598 17786.7537 0.0000 0.0000 34292.8435 -148663.9350 299.4879 -182956.7785 -148571.4007 299.9374 -6.4908 25.9213 560649.1096 -4.4001 -4.6805 PRESSURE: 4630400 -211.795 -18.5439 14.6349 -18.5447 -6.83684 79.3951 14.6358 79.3953 -259.146 GPRESSURE: 4630400 -173.775 1.77038 -1.1174 -81.8074 8.5927 48.8206 -8.48088 153.788 -213.148 PRESSAVG: 4630400 34.4761 -14.7378 66.1727 -14.7378 0.872215 7.90626 66.1725 7.90617 -11.623 GPRESSAVG: 4630400 35.6623 -14.5165 67.4109 -16.2651 1.23647 7.27462 65.264 9.87225 -13.852 TIMING: 4630400 CPU: 13403.3, 0.00291012/step Wall: 13403.3, 0.00291012/step, 0.298772 hours remaining, 211.406250 MB of memory in use. ENERGY: 4630400 778.9062 2107.7274 1960.0294 112.1468 -205745.4672 17688.7017 0.0000 0.0000 34383.7393 -148714.2165 300.2817 -183097.9557 -148616.9114 300.6997 -159.2595 -126.1101 561019.5857 7.9084 7.6822 PRESSURE: 4630600 165.686 -71.8291 -128.933 -71.8297 -16.77 -52.2164 -128.934 -52.215 -29.2685 GPRESSURE: 4630600 220.079 -109.135 -196.242 -53.9393 32.5053 -182.276 7.52229 27.5876 -29.2553 PRESSAVG: 4630600 16.2645 -61.4297 -19.0273 -61.4297 13.8796 -12.1242 -19.0273 -12.1242 -22.6552 GPRESSAVG: 4630600 15.2853 -60.9489 -21.1331 -62.2944 13.8983 -11.3236 -14.9304 -14.4603 -21.1116 TIMING: 4630600 CPU: 13403.9, 0.00291385/step Wall: 13403.9, 0.00291385/step, 0.298993 hours remaining, 211.406250 MB of memory in use. ENERGY: 4630600 761.8202 2097.4153 1944.4231 116.1092 -205946.6758 17745.9071 0.0000 0.0000 34390.3832 -148890.6178 300.3398 -183281.0010 -148793.8918 300.5565 39.8824 74.4430 558202.7576 2.4963 2.6907 PRESSURE: 4630800 -208.042 23.2703 -114.661 23.271 125.411 -93.2709 -114.661 -93.2713 -51.9015 GPRESSURE: 4630800 -158.797 51.0191 -7.63849 -67.1216 170.457 -28.9203 -93.2433 -90.0232 -55.3898 PRESSAVG: 4630800 -75.292 -38.718 4.54716 -38.718 91.2061 0.673465 4.5471 0.673398 -12.0176 GPRESSAVG: 4630800 -74.1257 -38.9798 5.73346 -35.88 90.5913 0.840097 3.17983 0.422039 -12.4316 TIMING: 4630800 CPU: 13404.5, 0.00289734/step Wall: 13404.5, 0.00289734/step, 0.297138 hours remaining, 211.406250 MB of memory in use. ENERGY: 4630800 729.4704 2061.0448 1959.5221 111.2047 -205689.4590 17568.8375 0.0000 0.0000 34349.7105 -148909.6691 299.9846 -183259.3796 -148811.5808 299.4363 -44.8441 -14.5764 558502.8374 1.2988 1.3446 PRESSURE: 4631000 5.87213 -127.834 -33.4108 -127.834 27.0285 -45.927 -33.4106 -45.9283 -123.704 GPRESSURE: 4631000 8.10859 -114.004 21.1849 -23.0358 12.3444 -6.25818 0.293414 -47.4983 -30.8327 PRESSAVG: 4631000 -29.6936 -19.5274 0.578896 -19.5275 89.0937 -44.761 0.57891 -44.7609 15.3921 GPRESSAVG: 4631000 -31.5205 -19.9766 2.40503 -20.1095 88.9221 -43.4278 -2.25202 -44.6147 17.124 TIMING: 4631000 CPU: 13405.1, 0.00287737/step Wall: 13405.1, 0.00287737/step, 0.294931 hours remaining, 211.406250 MB of memory in use. ENERGY: 4631000 765.9672 2113.0968 1963.8319 113.8937 -205894.6892 17686.5366 0.0000 0.0000 34325.3315 -148926.0315 299.7717 -183251.3630 -148823.9643 299.9206 -30.2677 -3.4599 557495.2490 24.9307 24.8419 PRESSURE: 4631200 -195.296 47.9936 57.9848 47.9943 -189.428 224.01 57.9843 224.011 -165.223 GPRESSURE: 4631200 -143.064 28.5313 62.9007 81.3494 -189.515 260.03 57.7603 186.867 -122.371 PRESSAVG: 4631200 -11.9798 -21.5593 9.79724 -21.5593 -7.97557 -25.5942 9.79727 -25.5942 -6.13065 GPRESSAVG: 4631200 -11.2696 -20.3279 8.86942 -23.3356 -8.09058 -27.5913 11.7225 -25.8438 -6.47236 TIMING: 4631200 CPU: 13405.6, 0.00287412/step Wall: 13405.6, 0.00287412/step, 0.294438 hours remaining, 211.406250 MB of memory in use. ENERGY: 4631200 724.0541 2091.1219 1951.3015 130.2738 -205619.5546 17358.5621 0.0000 0.0000 34232.3790 -149131.8621 298.9599 -183364.2411 -149035.7259 299.3307 -183.3157 -151.6497 556665.4116 -8.6953 -8.6109 PRESSURE: 4631400 -188.961 -4.63773 -33.4946 -4.63864 -313.073 -53.4788 -33.4948 -53.4787 -374.284 GPRESSURE: 4631400 -196.649 37.6021 -89.8421 14.8423 -224.746 -53.5615 41.0276 -3.24331 -357.432 PRESSAVG: 4631400 -16.9791 -14.57 -16.1196 -14.57 47.4054 -20.8691 -16.1196 -20.8692 -0.917949 GPRESSAVG: 4631400 -16.1452 -14.3655 -16.5793 -13.8358 46.8359 -19.5884 -16.7087 -23.9815 -1.21725 TIMING: 4631400 CPU: 13406.2, 0.00287776/step Wall: 13406.2, 0.00287776/step, 0.294651 hours remaining, 211.406250 MB of memory in use. ENERGY: 4631400 820.5876 2102.4504 1913.4103 116.7329 -205779.5074 17565.5607 0.0000 0.0000 34322.5296 -148938.2360 299.7472 -183260.7656 -148842.8860 299.2071 -292.1057 -259.6089 558820.3438 9.8361 9.8245 PRESSURE: 4631600 106.297 24.3072 -75.6878 24.3064 -35.798 84.2667 -75.687 84.2656 -92.9101 GPRESSURE: 4631600 156.988 -20.1657 -78.4584 46.1652 31.3491 135.755 -62.6581 83.0711 -111.691 PRESSAVG: 4631600 37.7116 63.7457 3.30262 63.7458 15.0521 24.6137 3.30255 24.6137 -48.4355 GPRESSAVG: 4631600 37.2708 62.4033 3.93805 63.0878 16.7741 25.1692 4.72197 26.5864 -50.1476 TIMING: 4631600 CPU: 13406.8, 0.00288608/step Wall: 13406.8, 0.00288608/step, 0.295342 hours remaining, 211.406250 MB of memory in use. ENERGY: 4631600 734.5971 2044.0269 1954.3711 114.2759 -205729.2401 17754.0457 0.0000 0.0000 34159.7977 -148968.1258 298.3260 -183127.9234 -148867.6694 299.6029 -7.4703 25.5489 557802.7554 1.4427 1.2991 PRESSURE: 4631800 -356.476 0.756891 187.064 0.756862 -142.488 36.1684 187.065 36.1691 24.1647 GPRESSURE: 4631800 -318.857 -33.9239 103.642 3.71909 -40.1522 0.295377 278.891 50.1651 -19.625 PRESSAVG: 4631800 -26.2717 -21.4871 34.4803 -21.4871 47.644 10.4147 34.4803 10.4147 -31.6333 GPRESSAVG: 4631800 -27.0035 -21.3366 34.5985 -20.4957 46.9696 8.66752 32.6946 11.1226 -29.8239 TIMING: 4631800 CPU: 13407.4, 0.00290781/step Wall: 13407.4, 0.00290781/step, 0.297404 hours remaining, 211.406250 MB of memory in use. ENERGY: 4631800 743.3711 2045.2058 1952.9353 114.8494 -205836.2278 17676.2783 0.0000 0.0000 34264.6030 -149038.9849 299.2413 -183303.5880 -148946.1978 299.2024 -158.2666 -126.2113 559140.1391 -3.4203 -3.2859 PRESSURE: 4632000 62.9402 15.6285 8.30884 15.6286 47.0038 91.5299 8.30913 91.5306 -38.6828 GPRESSURE: 4632000 95.0061 -3.53313 -94.8136 99.0507 48.5864 80.128 23.798 63.0773 27.8204 PRESSAVG: 4632000 -57.4141 12.4539 40.5394 12.4539 37.2813 -37.0136 40.5394 -37.0136 -27.2336 GPRESSAVG: 4632000 -56.4217 10.7035 39.54 13.0945 36.4609 -36.1667 43.4146 -36.713 -27.8605 TIMING: 4632000 CPU: 13408, 0.00290736/step Wall: 13408, 0.00290736/step, 0.297197 hours remaining, 211.406250 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: 4632000 715.1713 2085.6179 1943.6244 109.2845 -206338.7841 17916.6460 0.0000 0.0000 34450.8210 -149117.6190 300.8676 -183568.4400 -149024.0766 299.3497 23.7537 57.1376 558376.6904 -15.7888 -15.9404 PRESSURE: 4632200 -187.641 -194.522 -47.5391 -194.522 -184.718 7.0267 -47.5408 7.02668 -214.91 GPRESSURE: 4632200 -156.943 -223.992 -81.0297 -104.865 -149.527 4.38236 8.54965 -92.8605 -188.738 PRESSAVG: 4632200 -34.1725 -33.9029 15.5257 -33.9029 51.7495 6.45565 15.5256 6.45564 10.0122 GPRESSAVG: 4632200 -33.9738 -34.3369 16.2524 -34.2303 51.0403 6.91579 12.4563 5.73617 10.1653 TIMING: 4632200 CPU: 13408.5, 0.00291411/step Wall: 13408.5, 0.00291411/step, 0.297725 hours remaining, 211.406250 MB of memory in use. ENERGY: 4632200 763.0458 2058.4571 1972.6916 113.9616 -205680.7995 17634.6709 0.0000 0.0000 34057.8901 -149080.0822 297.4360 -183137.9723 -148981.9648 299.8030 -195.7562 -165.0691 559179.8605 9.1964 9.0773 LDB: ============= START OF LOAD BALANCING ============== 13411.9 LDB: ============== END OF LOAD BALANCING =============== 13411.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13411.9 LDB: ============= START OF LOAD BALANCING ============== 13412.2 LDB: Largest compute 4772 load 0.027229 is 23.1% of average load 0.117999 LDB: Average compute 0.001731 is 1.5% of average load 0.117999 LDB: TIME 13412.2 LOAD: AVG 0.117999 MAX 0.179587 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.367 MB LDB: TIME 13412.2 LOAD: AVG 0.117999 MAX 0.179587 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.367 MB LDB: TIME 13412.2 LOAD: AVG 0.117999 MAX 0.179587 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.367 MB LDB: ============== END OF LOAD BALANCING =============== 13412.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13412.2 PRESSURE: 4632400 -118.95 -62.2323 35.4927 -62.2327 -170.703 -187.14 35.493 -187.141 52.0289 GPRESSURE: 4632400 -89.9738 -25.6501 39.3439 -45.0244 -142.809 -226.941 -3.10708 -230.439 92.8667 PRESSAVG: 4632400 13.709 -14.4829 -6.14053 -14.4829 2.36218 -12.9852 -6.14057 -12.9852 -10.2424 GPRESSAVG: 4632400 12.5266 -13.5352 -4.46982 -15.2423 3.68719 -14.7585 -7.28356 -13.9489 -10.2251 TIMING: 4632400 CPU: 13409.1, 0.0029929/step Wall: 13409.1, 0.0029929/step, 0.305608 hours remaining, 210.367188 MB of memory in use. ENERGY: 4632400 733.9467 2088.1106 1940.6374 102.3719 -205844.7272 17647.3567 0.0000 0.0000 34180.6042 -149151.6997 298.5077 -183332.3039 -149061.9786 299.7188 -79.2081 -46.6388 559211.7304 1.9429 1.9962 PRESSURE: 4632600 -33.164 79.2275 -44.1836 79.227 -53.8805 21.3715 -44.1822 21.3704 220.777 GPRESSURE: 4632600 -3.21081 111.542 -81.527 98.5193 -24.904 97.4137 -15.1335 -113.771 258.89 PRESSAVG: 4632600 1.70116 -16.3953 -26.2934 -16.3953 -13.2466 -47.7632 -26.2934 -47.7633 24.4254 GPRESSAVG: 4632600 2.39198 -15.6211 -28.6184 -15.5608 -14.3189 -46.875 -23.5007 -47.4791 24.4087 TIMING: 4632600 CPU: 13409.7, 0.00290765/step Wall: 13409.7, 0.00290765/step, 0.296742 hours remaining, 210.367188 MB of memory in use. ENERGY: 4632600 787.3834 2060.8638 1938.4896 116.6034 -206031.5254 17918.2632 0.0000 0.0000 34072.0681 -149137.8539 297.5598 -183209.9220 -149037.4027 299.3641 44.5775 76.9249 557481.1084 4.2933 4.1606 PRESSURE: 4632800 8.41778 -23.1599 80.743 -23.1592 -39.8368 -104.992 80.7433 -104.992 -21.2893 GPRESSURE: 4632800 34.6819 -56.7585 0.728226 17.4316 -13.9093 -20.4665 121.939 -164.843 9.67212 PRESSAVG: 4632800 2.47598 -93.5317 -28.9425 -93.5316 -6.5875 -26.0995 -28.9425 -26.0995 32.8394 GPRESSAVG: 4632800 0.709856 -94.4697 -28.439 -95.6778 -5.94587 -24.9138 -28.3064 -25.353 33.2791 TIMING: 4632800 CPU: 13410.3, 0.00291087/step Wall: 13410.3, 0.00291087/step, 0.296909 hours remaining, 210.367188 MB of memory in use. ENERGY: 4632800 755.8107 2035.7900 1929.8410 119.6595 -206134.7694 17812.6966 0.0000 0.0000 34307.2384 -149173.7333 299.6136 -183480.9717 -149072.9584 299.1650 -17.5695 10.1482 558540.4311 9.5760 9.3477 PRESSURE: 4633000 -29.4154 29.9833 4.724 29.9834 -125.95 -13.9776 4.72482 -13.978 -74.5557 GPRESSURE: 4633000 15.6726 50.3685 16.9012 29.3797 -91.4083 -34.4451 -79.7565 -60.1128 -56.028 PRESSAVG: 4633000 21.1916 22.7925 58.8123 22.7926 -41.8235 21.9072 58.8123 21.9071 14.4887 GPRESSAVG: 4633000 23.434 23.5012 60.7686 23.746 -41.8656 20.4382 55.6314 21.8767 12.8231 TIMING: 4633000 CPU: 13410.9, 0.00291352/step Wall: 13410.9, 0.00291352/step, 0.297017 hours remaining, 210.367188 MB of memory in use. ENERGY: 4633000 778.5674 1991.7013 1955.0726 98.2769 -205869.2766 17705.4966 0.0000 0.0000 34316.2515 -149023.9104 299.6924 -183340.1620 -148923.7222 299.1441 -76.6404 -43.9212 557183.6476 -2.0477 -1.8695 PRESSURE: 4633200 -75.3192 74.652 -53.391 74.6531 -179.664 65.1306 -53.392 65.1301 -140.227 GPRESSURE: 4633200 -13.1265 57.4647 -47.6539 64.7708 -185.134 107.454 -135.503 3.05681 -97.1662 PRESSAVG: 4633200 10.6384 -73.3528 5.87366 -73.3529 -26.7234 39.5558 5.87368 39.5559 3.10182 GPRESSAVG: 4633200 10.2724 -74.9263 3.23417 -72.5548 -27.5002 40.455 8.49599 39.9421 4.20495 TIMING: 4633200 CPU: 13411.5, 0.00291287/step Wall: 13411.5, 0.00291287/step, 0.296789 hours remaining, 210.367188 MB of memory in use. ENERGY: 4633200 749.2226 2101.3369 1930.5013 98.1372 -205722.9162 17490.5179 0.0000 0.0000 34343.1144 -149010.0860 299.9270 -183353.2004 -148916.2433 299.7951 -131.7367 -98.4755 558225.3259 -4.3277 -4.3410 PRESSURE: 4633400 -78.8945 -20.8745 -7.15362 -20.8746 30.9891 136.66 -7.15262 136.66 -186.887 GPRESSURE: 4633400 -77.401 16.6543 47.1926 53.79 112.5 75.9498 -82.0103 129.193 -191.949 PRESSAVG: 4633400 44.0076 15.4365 13.7799 15.4364 -43.2355 20.1095 13.7799 20.1095 40.24 GPRESSAVG: 4633400 43.9898 18.1989 13.6747 16.2122 -42.4651 19.9093 13.1677 17.9795 39.6346 TIMING: 4633400 CPU: 13412, 0.00289676/step Wall: 13412, 0.00289676/step, 0.294987 hours remaining, 210.367188 MB of memory in use. ENERGY: 4633400 757.2351 2101.0052 1952.0125 110.6078 -205882.6797 17697.3282 0.0000 0.0000 34367.0422 -148897.4487 300.1359 -183264.4909 -148804.2464 299.7064 -78.2643 -52.2832 560454.5541 13.6707 13.7197 PRESSURE: 4633600 83.6487 -26.556 -210.315 -26.5558 -77.5221 -32.308 -210.314 -32.3086 -172.747 GPRESSURE: 4633600 98.9962 -33.2061 -128.178 -57.4841 -71.8624 103.449 -179.414 -51.1159 -104.529 PRESSAVG: 4633600 -33.062 21.0442 13.0246 21.0441 41.3734 -37.1429 13.0247 -37.143 -87.3283 GPRESSAVG: 4633600 -33.4665 21.4014 15.0783 20.0463 40.5269 -36.9729 12.9697 -35.4774 -86.4791 TIMING: 4633600 CPU: 13412.6, 0.00291241/step Wall: 13412.6, 0.00291241/step, 0.296418 hours remaining, 210.367188 MB of memory in use. ENERGY: 4633600 743.4442 2042.7451 1946.5893 114.5080 -206255.7142 17866.9845 0.0000 0.0000 34356.9019 -149184.5411 300.0474 -183541.4430 -149088.3039 299.9477 -55.5401 -25.7983 559646.4109 -26.3390 -26.4729 PRESSURE: 4633800 284.564 -28.9365 308.656 -28.9368 -254.711 87.0424 308.657 87.0407 86.7519 GPRESSURE: 4633800 245.035 -60.4826 297.3 58.0526 -213.661 115.503 366.634 -16.7046 177.118 PRESSAVG: 4633800 57.6847 -24.5832 -16.1255 -24.5834 0.364688 31.9828 -16.1255 31.9828 -16.5168 GPRESSAVG: 4633800 56.5699 -24.9482 -17.1794 -24.5181 1.33528 32.4098 -15.4483 31.0292 -16.2894 TIMING: 4633800 CPU: 13413.2, 0.00289509/step Wall: 13413.2, 0.00289509/step, 0.294495 hours remaining, 210.367188 MB of memory in use. ENERGY: 4633800 737.4935 2069.2914 1939.6752 111.5598 -206315.2530 17934.7368 0.0000 0.0000 34359.0800 -149163.4163 300.0664 -183522.4963 -149064.9744 299.6146 38.8683 69.4971 559124.6679 13.8442 13.8719 PRESSURE: 4634000 -20.1229 -83.5577 -6.7625 -83.5554 -307.231 -149.134 -6.76215 -149.135 -250.525 GPRESSURE: 4634000 27.6332 -63.222 -9.21606 -52.3427 -313.775 -166.778 24.3904 -81.3296 -192.44 PRESSAVG: 4634000 5.84772 -10.6635 7.71471 -10.6635 -12.9987 -3.18904 7.71467 -3.18917 -15.9979 GPRESSAVG: 4634000 6.40599 -12.4209 7.20689 -10.1949 -13.0589 -4.6077 9.12776 -2.91348 -17.1 TIMING: 4634000 CPU: 13413.8, 0.002936/step Wall: 13413.8, 0.002936/step, 0.298493 hours remaining, 210.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4634000 744.5519 2059.3869 1920.6536 122.6752 -205702.0861 17579.2010 0.0000 0.0000 34211.1238 -149064.4937 298.7743 -183275.6175 -148968.3027 299.2310 -192.6262 -159.5273 560948.7158 -7.7163 -7.9176 PRESSURE: 4634200 -278.332 105.521 -2.7508 105.522 26.8335 36.9051 -2.7513 36.905 -84.5138 GPRESSURE: 4634200 -243.456 93.7298 0.504067 119.582 48.425 110.82 2.61068 -49.4142 -52.6642 PRESSAVG: 4634200 63.5058 2.30996 7.80871 2.30991 3.11283 10.8589 7.80868 10.859 -32.7619 GPRESSAVG: 4634200 63.6954 0.631144 9.16977 2.8657 3.68209 10.16 5.583 11.9135 -33.7879 TIMING: 4634200 CPU: 13414.4, 0.00290658/step Wall: 13414.4, 0.00290658/step, 0.29534 hours remaining, 210.367188 MB of memory in use. ENERGY: 4634200 751.8186 2052.2537 1902.6227 114.2867 -205959.0695 17846.5068 0.0000 0.0000 34206.0274 -149085.5537 298.7297 -183291.5811 -148989.8967 298.7836 -112.0040 -82.5650 559542.1637 11.2856 11.1965 PRESSURE: 4634400 -311.941 -134.807 26.1622 -134.806 36.8306 -79.9067 26.1648 -79.9066 -321.048 GPRESSURE: 4634400 -303.411 -187.879 55.0673 -48.8888 85.6654 -67.6268 -9.65613 -59.3584 -276.586 PRESSAVG: 4634400 -15.5687 -9.10036 13.7193 -9.10037 29.1696 31.3913 13.7193 31.3914 -2.51004 GPRESSAVG: 4634400 -16.1704 -6.85371 12.5145 -9.47567 29.186 32.417 13.3825 31.6394 -2.5142 TIMING: 4634400 CPU: 13414.9, 0.00289603/step Wall: 13414.9, 0.00289603/step, 0.294108 hours remaining, 210.367188 MB of memory in use. ENERGY: 4634400 731.2050 2124.9927 1923.8851 102.4832 -205868.2697 17600.6108 0.0000 0.0000 34429.6741 -148955.4189 300.6829 -183385.0929 -148862.8963 299.8764 -198.7196 -164.7770 558829.2812 3.6970 3.5005 PRESSURE: 4634600 -33.8381 -165.548 89.0716 -165.547 60.6516 84.9759 89.0716 84.9772 116.643 GPRESSURE: 4634600 -12.3302 -165.255 71.1203 -126.273 31.7381 59.4965 126.788 90.5263 216.352 PRESSAVG: 4634600 -67.8649 -54.3931 -26.5092 -54.3931 29.5371 -22.1313 -26.5092 -22.1313 32.4761 GPRESSAVG: 4634600 -67.7793 -55.3732 -25.3715 -53.9618 29.1348 -24.4419 -24.9778 -22.5096 32.7583 TIMING: 4634600 CPU: 13415.5, 0.00291317/step Wall: 13415.5, 0.00291317/step, 0.295686 hours remaining, 210.367188 MB of memory in use. ENERGY: 4634600 786.6998 2070.4963 1928.1662 128.8093 -206069.4908 17841.0120 0.0000 0.0000 34266.5151 -149047.7921 299.2580 -183314.3073 -148947.6263 299.8794 47.8189 78.5866 556998.7074 -1.9506 -1.9621 PRESSURE: 4634800 134.537 -25.4274 -3.62317 -25.4272 2.24572 -43.3573 -3.62157 -43.3583 9.67395 GPRESSURE: 4634800 151.525 -6.75273 -52.9153 -12.4818 76.0674 -7.8928 19.6149 22.2278 11.8172 PRESSAVG: 4634800 -6.47828 -12.5745 -2.62606 -12.5744 -19.2629 15.8862 -2.62604 15.8863 3.57409 GPRESSAVG: 4634800 -5.52731 -11.848 -3.70183 -13.0301 -20.379 15.5742 -3.13292 17.2066 3.26412 TIMING: 4634800 CPU: 13416.1, 0.00291186/step Wall: 13416.1, 0.00291186/step, 0.295392 hours remaining, 210.367188 MB of memory in use. ENERGY: 4634800 706.1837 2016.5640 1935.2243 104.8220 -205813.2259 17666.6757 0.0000 0.0000 34358.6958 -149025.0604 300.0630 -183383.7561 -148927.8180 299.2614 48.8189 79.8032 556427.1922 -7.3890 -7.5474 PRESSURE: 4635000 -314.671 43.8481 -2.94265 43.8485 -311.803 45.6493 -2.94298 45.6497 -100.522 GPRESSURE: 4635000 -264.683 31.5586 22.5504 35.7977 -296.627 99.6709 44.1288 -17.8001 -78.7796 PRESSAVG: 4635000 57.4544 27.0992 -13.5297 27.0991 -12.2177 -18.1647 -13.5297 -18.1648 0.96121 GPRESSAVG: 4635000 56.9309 26.1328 -12.3984 27.693 -11.708 -17.1692 -12.6268 -17.721 1.3465 TIMING: 4635000 CPU: 13416.7, 0.00292043/step Wall: 13416.7, 0.00292043/step, 0.2961 hours remaining, 210.367188 MB of memory in use. ENERGY: 4635000 745.6784 2048.0113 1940.3999 116.0325 -205806.5179 17538.2800 0.0000 0.0000 34290.8610 -149127.2548 299.4706 -183418.1158 -149031.8491 300.0429 -242.3321 -213.3631 557811.8811 15.3993 15.5231 PRESSURE: 4635200 -109.902 163.975 -5.28915 163.977 184.966 34.4541 -5.29052 34.4526 117.983 GPRESSURE: 4635200 8.04609 203.102 42.894 114.157 173.955 56.1714 49.206 72.4276 114.208 PRESSAVG: 4635200 14.7643 25.5782 26.2913 25.5783 -52.1732 -0.348435 26.2914 -0.348381 4.77601 GPRESSAVG: 4635200 15.0273 26.1001 27.1139 24.4964 -52.0551 -0.241838 24.1648 -1.7282 4.25096 TIMING: 4635200 CPU: 13417.3, 0.00291102/step Wall: 13417.3, 0.00291102/step, 0.294983 hours remaining, 210.367188 MB of memory in use. ENERGY: 4635200 725.4098 2042.1963 1932.3584 117.7016 -205683.1238 17696.4766 0.0000 0.0000 34231.0419 -148937.9393 298.9482 -183168.9811 -148844.7932 299.4721 64.3487 98.7363 557752.8280 -10.8776 -10.9256 PRESSURE: 4635400 114.241 -99.5914 -104.759 -99.591 -97.2761 -32.4724 -104.761 -32.4728 -147.095 GPRESSURE: 4635400 109.805 -50.7865 -45.601 -103.039 -47.2739 -30.2978 -98.6202 -54.4807 -86.8395 PRESSAVG: 4635400 -4.32786 28.2128 -38.8251 28.2128 42.6635 40.3892 -38.8251 40.3892 -20.7232 GPRESSAVG: 4635400 -6.00331 29.0604 -39.822 28.1596 43.1671 41.8722 -36.0344 38.2947 -20.0599 TIMING: 4635400 CPU: 13417.9, 0.00291276/step Wall: 13417.9, 0.00291276/step, 0.294998 hours remaining, 210.367188 MB of memory in use. ENERGY: 4635400 732.1569 2031.0030 1933.4871 111.6029 -205785.0157 17522.5389 0.0000 0.0000 34397.1418 -149057.0851 300.3988 -183454.2269 -148960.0110 300.0648 -43.3767 -8.1028 556936.9071 5.8708 5.7013 PRESSURE: 4635600 327.74 -194.229 -64.6858 -194.23 190.06 -8.07364 -64.6846 -8.07401 115.645 GPRESSURE: 4635600 300.338 -204.152 -29.9396 -190.612 267.247 71.4351 -131.57 9.98533 157.407 PRESSAVG: 4635600 16.7431 20.2221 -35.9033 20.2221 89.4899 -28.3144 -35.9032 -28.3145 -122.679 GPRESSAVG: 4635600 17.0432 20.2015 -35.9236 18.5997 89.4955 -29.1479 -36.5565 -26.8089 -123.31 TIMING: 4635600 CPU: 13418.4, 0.00288697/step Wall: 13418.4, 0.00288697/step, 0.292226 hours remaining, 210.367188 MB of memory in use. ENERGY: 4635600 692.0540 2123.5958 1947.7171 111.0840 -206232.8333 18039.9757 0.0000 0.0000 34281.1384 -149037.2683 299.3857 -183318.4067 -148940.6008 299.3702 211.1484 241.6638 556803.4953 -5.4820 -5.5904 PRESSURE: 4635800 -179.946 25.5905 -1.55244 25.5896 -18.8935 -91.2688 -1.55225 -91.2688 66.8292 GPRESSURE: 4635800 -139.575 -131.857 71.0556 45.9302 -0.886344 -76.9341 -13.1148 -159.764 112.319 PRESSAVG: 4635800 78.698 -0.135661 28.0817 -0.135747 -61.6436 -63.7114 28.0817 -63.7113 6.03938 GPRESSAVG: 4635800 79.7098 -1.08516 26.6132 1.26549 -62.2096 -64.0473 26.6803 -64.5428 5.96923 TIMING: 4635800 CPU: 13419, 0.0028867/step Wall: 13419, 0.0028867/step, 0.292038 hours remaining, 210.367188 MB of memory in use. ENERGY: 4635800 737.2132 2101.5352 1921.5931 112.7369 -206034.6185 17637.2930 0.0000 0.0000 34440.4495 -149083.7977 300.7770 -183524.2471 -148986.7822 299.9647 -44.0033 -9.3807 558697.4074 7.6979 7.8231 PRESSURE: 4636000 12.2752 -20.8546 34.7805 -20.8551 5.41894 19.6444 34.7813 19.6448 395.854 GPRESSURE: 4636000 98.0317 -45.9262 22.7509 55.4146 46.2599 41.7986 64.4586 -7.47883 371.557 PRESSAVG: 4636000 33.1035 -28.2887 -17.1844 -28.2886 13.9531 -18.3522 -17.1844 -18.3522 -31.2456 GPRESSAVG: 4636000 33.1045 -26.9109 -15.4059 -28.157 14.256 -17.9599 -17.5346 -16.1516 -32.086 TIMING: 4636000 CPU: 13419.6, 0.00289554/step Wall: 13419.6, 0.00289554/step, 0.292772 hours remaining, 210.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4636000 753.7822 2127.7071 1943.7460 118.9031 -206295.6487 18009.5640 0.0000 0.0000 34289.2385 -149052.7078 299.4564 -183341.9463 -148959.0030 299.5230 137.8493 171.9495 556715.4166 5.2703 5.0915 PRESSURE: 4636200 -82.5554 -269.781 -164.18 -269.782 -29.5156 78.4685 -164.18 78.4681 245.668 GPRESSURE: 4636200 0.591024 -193.794 -183.357 -299.937 7.71197 86.3507 -228.676 -35.5334 230.028 PRESSAVG: 4636200 38.7221 -60.0126 5.19207 -60.0126 18.9028 -65.6034 5.192 -65.6034 -48.5577 GPRESSAVG: 4636200 38.8155 -59.8036 3.78596 -62.6135 19.139 -65.3787 5.5328 -66.8047 -48.6356 TIMING: 4636200 CPU: 13420.2, 0.00290909/step Wall: 13420.2, 0.00290909/step, 0.29398 hours remaining, 210.367188 MB of memory in use. ENERGY: 4636200 737.3472 2080.1733 1942.5742 115.1418 -206000.7450 17834.0092 0.0000 0.0000 34187.4693 -149104.0300 298.5677 -183291.4993 -149007.2785 300.0047 44.5325 79.4437 558232.0973 3.0224 3.1063 LDB: ============= START OF LOAD BALANCING ============== 13423.6 LDB: ============== END OF LOAD BALANCING =============== 13423.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13423.6 LDB: ============= START OF LOAD BALANCING ============== 13423.9 LDB: Largest compute 4773 load 0.028350 is 24.0% of average load 0.118145 LDB: Average compute 0.001741 is 1.5% of average load 0.118145 LDB: TIME 13423.9 LOAD: AVG 0.118145 MAX 0.180493 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.648 MB LDB: TIME 13423.9 LOAD: AVG 0.118145 MAX 0.180493 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.852 MB LDB: TIME 13423.9 LOAD: AVG 0.118145 MAX 0.180493 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.852 MB LDB: ============== END OF LOAD BALANCING =============== 13423.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13423.9 PRESSURE: 4636400 60.9751 -22.0198 -135.242 -22.0205 -184.416 119.377 -135.241 119.375 -89.0945 GPRESSURE: 4636400 161.672 -66.7801 27.7847 73.7808 -115.56 111.343 -127.704 152.233 -162.872 PRESSAVG: 4636400 -76.11 10.0397 -4.70711 10.0397 59.0514 -38.4447 -4.70705 -38.4448 22.4529 GPRESSAVG: 4636400 -76.3034 6.80253 -3.43704 13.2984 58.66 -38.2613 -3.67208 -37.2616 22.9051 TIMING: 4636400 CPU: 13420.8, 0.00293927/step Wall: 13420.8, 0.00293927/step, 0.296866 hours remaining, 210.628906 MB of memory in use. ENERGY: 4636400 741.0468 2123.3081 1936.9723 109.1535 -205910.6859 17594.5639 0.0000 0.0000 34149.1507 -149256.4906 298.2330 -183405.6412 -149158.2412 298.4816 -70.8451 -38.9201 557613.6880 1.7981 1.7539 PRESSURE: 4636600 -67.7269 -108.119 -124.888 -108.118 -229.986 -32.2594 -124.889 -32.2583 -27.3137 GPRESSURE: 4636600 -32.8809 -141.786 -98.6936 -104.216 -195.264 -14.4611 -139.818 -73.2617 7.84014 PRESSAVG: 4636600 0.374955 -41.2415 -5.61831 -41.2415 3.66913 -34.0604 -5.61823 -34.0603 -14.5098 GPRESSAVG: 4636600 1.38369 -40.839 -6.25243 -41.7989 3.80909 -33.8266 -7.10455 -34.1149 -15.6241 TIMING: 4636600 CPU: 13421.4, 0.00292027/step Wall: 13421.4, 0.00292027/step, 0.294785 hours remaining, 210.628906 MB of memory in use. ENERGY: 4636600 745.5534 2086.3246 1959.2392 104.5829 -205853.4139 17597.4975 0.0000 0.0000 34015.3274 -149344.8889 297.0643 -183360.2164 -149245.8232 298.3252 -108.3422 -73.4350 558866.4851 -3.4886 -3.4771 PRESSURE: 4636800 373.074 69.4163 -157.077 69.416 89.7207 -75.8157 -157.077 -75.8136 173.477 GPRESSURE: 4636800 417.118 43.8264 -136.248 78.4567 113.077 -72.9938 -146.622 0.790021 216.436 PRESSAVG: 4636800 27.9492 8.40753 -69.9943 8.40762 62.0399 -49.0539 -69.9942 -49.0538 -55.2163 GPRESSAVG: 4636800 27.8058 8.95211 -69.923 8.98604 60.9477 -51.0043 -69.6842 -50.5397 -53.6447 TIMING: 4636800 CPU: 13421.9, 0.00292191/step Wall: 13421.9, 0.00292191/step, 0.294788 hours remaining, 210.628906 MB of memory in use. ENERGY: 4636800 735.1048 2101.3320 1946.4480 110.2893 -206408.2079 18102.3022 0.0000 0.0000 34263.3921 -149149.3394 299.2307 -183412.7316 -149054.7325 298.5033 212.0904 248.8770 557690.9849 11.5909 11.7029 PRESSURE: 4637000 24.0213 107.847 39.674 107.847 -81.9316 -119.921 39.6748 -119.92 -220.407 GPRESSURE: 4637000 36.9729 84.6181 -23.6088 95.0943 -90.915 -33.2378 121.847 -161.571 -134.227 PRESSAVG: 4637000 -4.80884 51.7252 -30.2327 51.7252 9.62347 -49.2488 -30.2327 -49.2488 -30.9216 GPRESSAVG: 4637000 -5.01902 51.8969 -30.0561 50.4888 9.891 -47.3075 -29.3083 -50.7109 -30.7273 TIMING: 4637000 CPU: 13422.5, 0.00287571/step Wall: 13422.5, 0.00287571/step, 0.289968 hours remaining, 210.628906 MB of memory in use. ENERGY: 4637000 747.7299 2157.2322 1940.1388 119.4412 -205947.7975 17737.0091 0.0000 0.0000 34053.5795 -149192.6667 297.3984 -183246.2462 -149104.3629 299.6208 -92.7724 -62.7231 559108.0018 -8.7023 -8.6184 PRESSURE: 4637200 15.1181 -11.9957 -15.4307 -11.9966 -2.45636 103.114 -15.4304 103.115 -24.3652 GPRESSURE: 4637200 93.3042 -43.7296 -20.0913 -11.1199 51.53 101.786 -14.3783 131.488 -80.7173 PRESSAVG: 4637200 16.3917 -0.498778 8.04942 -0.498767 36.0348 42.9344 8.04938 42.9345 -31.2086 GPRESSAVG: 4637200 16.8153 -1.41498 8.17139 1.50548 35.849 41.2218 8.51983 46.1938 -31.0752 TIMING: 4637200 CPU: 13423.1, 0.00287213/step Wall: 13423.1, 0.00287213/step, 0.289446 hours remaining, 210.628906 MB of memory in use. ENERGY: 4637200 721.9170 2108.3613 1947.3911 121.8019 -206057.8169 17840.3035 0.0000 0.0000 34190.8938 -149127.1482 298.5976 -183318.0421 -149031.5338 299.7494 -3.9012 21.3723 558321.0425 7.0726 7.1964 PRESSURE: 4637400 126.711 44.3578 95.1323 44.3596 -2.9452 79.3763 95.1304 79.3749 -99.8961 GPRESSURE: 4637400 100.785 77.1276 144.473 -22.1099 48.1637 120.782 137.698 28.9161 -31.7544 PRESSAVG: 4637400 -16.0417 -1.15904 11.0163 -1.15907 17.9124 -18.6049 11.0162 -18.6049 -9.31236 GPRESSAVG: 4637400 -17.5297 0.79937 13.1337 -2.53818 19.2053 -20.112 8.57691 -19.7053 -9.06216 TIMING: 4637400 CPU: 13423.7, 0.00289343/step Wall: 13423.7, 0.00289343/step, 0.291433 hours remaining, 210.714844 MB of memory in use. ENERGY: 4637400 740.1674 2069.8311 1961.1411 103.1427 -206311.6775 17893.1383 0.0000 0.0000 34447.9162 -149096.3408 300.8422 -183544.2570 -148997.4565 298.9197 7.9565 39.0648 558013.8909 -2.4805 -2.4622 PRESSURE: 4637600 123.894 70.5474 50.7933 70.5465 -15.8584 56.203 50.7944 56.2014 75.7598 GPRESSURE: 4637600 116.497 98.6349 21.974 19.5166 14.2679 33.9628 55.9128 51.3114 153.93 PRESSAVG: 4637600 -10.6321 39.3629 -30.8847 39.3628 47.6756 12.2372 -30.8847 12.2372 -42.2153 GPRESSAVG: 4637600 -10.8496 40.0186 -31.419 37.4328 47.2694 14.9425 -28.0328 11.8696 -41.5935 TIMING: 4637600 CPU: 13424.2, 0.00289393/step Wall: 13424.2, 0.00289393/step, 0.291322 hours remaining, 210.714844 MB of memory in use. ENERGY: 4637600 760.3763 2060.9938 1927.9314 112.8697 -206580.1063 17998.1884 0.0000 0.0000 34471.4587 -149248.2880 301.0478 -183719.7467 -149150.9498 299.6663 61.2652 94.8982 557038.7944 -1.7240 -1.7246 PRESSURE: 4637800 -149.039 115.888 -13.7665 115.889 -123.084 112.198 -13.7673 112.199 -184.718 GPRESSURE: 4637800 -151.482 89.0839 9.61867 99.4332 -81.8769 145.334 -28.0973 114.427 -130.909 PRESSAVG: 4637800 55.3223 -69.969 0.0120349 -69.9691 66.0918 12.6252 0.0121139 12.6252 -68.661 GPRESSAVG: 4637800 56.0151 -71.2898 -0.942703 -68.0672 65.8625 11.8008 -1.25143 13.3904 -69.5397 TIMING: 4637800 CPU: 13424.8, 0.00290371/step Wall: 13424.8, 0.00290371/step, 0.292145 hours remaining, 210.714844 MB of memory in use. ENERGY: 4637800 753.8540 2073.3490 1911.6322 117.7644 -206143.0973 17719.2784 0.0000 0.0000 34277.5343 -149289.6852 299.3542 -183567.2194 -149188.8729 299.2013 -152.2801 -121.4227 557561.8066 17.5844 17.4460 PRESSURE: 4638000 -31.5738 94.2741 -52.8115 94.2742 -169.54 -61.1852 -52.8103 -61.1852 -177.193 GPRESSURE: 4638000 -36.3158 61.4128 55.643 29.7708 -100.834 3.78589 63.3644 48.3437 -139.567 PRESSAVG: 4638000 27.8486 37.2571 19.882 37.2572 13.0859 59.5536 19.882 59.5537 -13.0108 GPRESSAVG: 4638000 26.4225 35.7019 19.3591 37.419 13.9479 60.3285 19.414 59.2862 -12.7309 TIMING: 4638000 CPU: 13425.4, 0.00289214/step Wall: 13425.4, 0.00289214/step, 0.290821 hours remaining, 210.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4638000 755.5358 2090.5337 1933.8711 113.3924 -205830.5959 17618.5088 0.0000 0.0000 34243.5099 -149075.2443 299.0571 -183318.7542 -148983.0685 299.6937 -126.1022 -92.2392 557136.3976 9.3079 9.2132 PRESSURE: 4638200 -288.212 63.4792 -103.848 63.48 -146.264 -26.6369 -103.848 -26.6357 178.064 GPRESSURE: 4638200 -236.958 5.76291 -67.9697 82.9625 -97.8967 -80.1523 -135.638 16.1781 161.215 PRESSAVG: 4638200 2.93028 -44.9244 2.47353 -44.9244 28.3446 -36.812 2.47355 -36.8122 -38.2781 GPRESSAVG: 4638200 3.66668 -44.9229 2.05212 -45.5711 28.5498 -37.0392 2.09644 -35.2591 -39.0927 TIMING: 4638200 CPU: 13426, 0.00290358/step Wall: 13426, 0.00290358/step, 0.29181 hours remaining, 210.714844 MB of memory in use. ENERGY: 4638200 699.5273 2123.1507 1927.9913 115.3769 -205954.1842 17690.9292 0.0000 0.0000 34350.6985 -149046.5103 299.9932 -183397.2088 -148952.9868 300.1502 -85.4708 -57.8796 557670.3434 -2.3344 -2.2921 PRESSURE: 4638400 97.9617 -101.79 28.4393 -101.79 -179.119 -10.2014 28.4391 -10.2018 -136.502 GPRESSURE: 4638400 101.734 -81.4806 127.149 -95.9914 -146.078 33.2805 42.363 -2.73835 -77.2868 PRESSAVG: 4638400 77.2397 19.9262 -21.0238 19.926 -44.2203 39.8117 -21.0239 39.8116 -66.0366 GPRESSAVG: 4638400 76.2807 20.6187 -20.4863 20.47 -43.9169 40.8957 -20.889 37.4525 -65.4116 TIMING: 4638400 CPU: 13426.6, 0.00289476/step Wall: 13426.6, 0.00289476/step, 0.290763 hours remaining, 210.714844 MB of memory in use. ENERGY: 4638400 722.7444 2146.2242 1944.1990 119.6367 -206054.4704 17685.9568 0.0000 0.0000 34513.3656 -148922.3437 301.4138 -183435.7094 -148817.4983 300.4358 -72.5532 -40.5435 557633.0289 -11.0057 -11.0159 PRESSURE: 4638600 163.196 86.0381 76.1197 86.0393 74.4967 221.863 76.1188 221.863 82.1095 GPRESSURE: 4638600 213.499 104.671 16.7463 66.9925 115.743 215.592 70.8635 201.518 86.5254 PRESSAVG: 4638600 74.4261 13.4289 18.9569 13.4288 -9.44738 28.9657 18.9569 28.9658 -101.539 GPRESSAVG: 4638600 74.8859 15.1384 20.0339 13.9331 -10.2859 26.0115 18.3413 30.0687 -101.257 TIMING: 4638600 CPU: 13427.1, 0.00289022/step Wall: 13427.1, 0.00289022/step, 0.290146 hours remaining, 210.714844 MB of memory in use. ENERGY: 4638600 750.3317 2143.6045 1942.5613 114.4447 -206345.0004 17939.2892 0.0000 0.0000 34254.7129 -149200.0560 299.1549 -183454.7689 -149113.7292 300.6626 106.6006 138.5890 556190.1114 -12.1868 -12.2191 PRESSURE: 4638800 -134.828 -169.535 -71.5783 -169.536 -122.69 0.832177 -71.5791 0.833518 2.83574 GPRESSURE: 4638800 -69.2713 -119.846 3.96846 -178.476 -63.5564 -8.18387 -20.3612 -12.944 -31.3114 PRESSAVG: 4638800 43.5626 2.71833 -27.7523 2.71843 -6.98492 -1.36327 -27.7523 -1.3632 -20.5938 GPRESSAVG: 4638800 44.3187 0.0150438 -28.3824 1.44022 -7.94393 1.10823 -25.9448 -1.55901 -20.3246 TIMING: 4638800 CPU: 13427.7, 0.00288569/step Wall: 13427.7, 0.00288569/step, 0.289531 hours remaining, 210.714844 MB of memory in use. ENERGY: 4638800 771.9983 2061.0149 1949.7428 109.7972 -206284.2315 17701.3343 0.0000 0.0000 34371.7832 -149318.5608 300.1773 -183690.3440 -149226.8876 299.8034 -84.8943 -54.7130 557247.1862 5.3280 5.3501 PRESSURE: 4639000 68.6814 91.3019 12.0597 91.3021 97.0018 -49.79 12.0586 -49.7898 132.312 GPRESSURE: 4639000 109.274 93.8837 85.4337 29.8921 150.331 -25.7024 -19.1321 -39.9612 142.897 PRESSAVG: 4639000 -5.01061 -20.709 3.44713 -20.709 38.0121 11.441 3.44709 11.4409 23.7388 GPRESSAVG: 4639000 -5.1316 -18.439 4.20053 -21.9838 38.8258 9.99071 2.14117 11.0496 23.2473 TIMING: 4639000 CPU: 13428.3, 0.00288535/step Wall: 13428.3, 0.00288535/step, 0.289336 hours remaining, 210.714844 MB of memory in use. ENERGY: 4639000 750.4514 2076.8412 1959.8554 109.3258 -206505.2747 17981.6426 0.0000 0.0000 34074.7031 -149552.4552 297.5829 -183627.1583 -149447.0011 299.1843 99.3316 134.1676 556639.8276 18.9134 18.9805 PRESSURE: 4639200 -48.3876 -49.2599 51.1517 -49.2593 -86.3742 -164.697 51.1506 -164.698 -170.65 GPRESSURE: 4639200 -95.7296 -137.003 51.4582 93.9736 -8.65774 -97.7292 20.2182 -168.587 -104.158 PRESSAVG: 4639200 -29.5958 23.706 10.3992 23.7059 37.4759 -16.8937 10.3992 -16.8937 6.63704 GPRESSAVG: 4639200 -30.2327 24.1105 10.2162 25.2658 37.6448 -15.0097 9.88989 -15.0816 6.8984 TIMING: 4639200 CPU: 13428.9, 0.00288328/step Wall: 13428.9, 0.00288328/step, 0.288969 hours remaining, 210.714844 MB of memory in use. ENERGY: 4639200 757.6496 2082.6939 1950.5647 112.5614 -206297.0340 17707.8727 0.0000 0.0000 34138.9737 -149546.7181 298.1441 -183685.6917 -149452.4979 298.0454 -101.8041 -69.5151 558561.6756 4.8390 4.7702 PRESSURE: 4639400 -289.41 -53.6569 106.319 -53.6567 -43.906 135.129 106.32 135.128 109.346 GPRESSURE: 4639400 -281.896 -16.4992 205.489 20.5557 -2.79984 103.726 -6.28569 144.64 163.933 PRESSAVG: 4639400 31.1033 -17.9304 25.6319 -17.9305 -59.0008 -3.20442 25.632 -3.2043 36.35 GPRESSAVG: 4639400 32.4684 -17.9917 25.9857 -17.0264 -59.6698 -6.25532 24.1335 -4.2743 35.6659 TIMING: 4639400 CPU: 13429.5, 0.00290829/step Wall: 13429.5, 0.00290829/step, 0.291314 hours remaining, 210.714844 MB of memory in use. ENERGY: 4639400 729.1144 2028.6862 1975.9062 114.0150 -206333.2132 17705.2613 0.0000 0.0000 34429.9303 -149350.2998 300.6851 -183780.2300 -149250.6257 298.8425 -74.6568 -40.2540 557431.6172 2.8175 2.8215 PRESSURE: 4639600 239.191 -60.1663 -164.569 -60.166 -212.32 47.7532 -164.568 47.7547 63.0511 GPRESSURE: 4639600 235.316 -103.831 -119.007 -64.1993 -202.729 -10.9745 -101.869 161.25 145.66 PRESSAVG: 4639600 -30.0567 -29.7717 -85.9359 -29.7716 -84.3683 16.6273 -85.9359 16.6274 84.9142 GPRESSAVG: 4639600 -30.1564 -31.214 -86.8153 -29.9907 -84.404 16.8284 -83.63 16.4182 85.0428 TIMING: 4639600 CPU: 13430, 0.00289178/step Wall: 13430, 0.00289178/step, 0.2895 hours remaining, 210.714844 MB of memory in use. ENERGY: 4639600 704.7814 2126.5698 1914.7263 110.8606 -206376.9492 17897.7568 0.0000 0.0000 34151.0012 -149471.2532 298.2492 -183622.2544 -149384.0352 298.5185 29.9742 59.4158 557050.9968 -9.8369 -9.8392 PRESSURE: 4639800 37.387 8.59655 -1.54837 8.59613 -143.558 -96.5933 -1.54905 -96.5942 -316.918 GPRESSURE: 4639800 60.5114 24.3108 129.077 -0.959179 -113.787 -38.4522 -46.9706 -163.351 -279.078 PRESSAVG: 4639800 27.5659 -8.25875 -78.8428 -8.25878 -79.2274 -6.08678 -78.8428 -6.08678 28.0678 GPRESSAVG: 4639800 27.8934 -8.54414 -76.8212 -6.24809 -78.0896 -5.53712 -78.8121 -6.0349 26.7211 TIMING: 4639800 CPU: 13430.6, 0.00290942/step Wall: 13430.6, 0.00290942/step, 0.291103 hours remaining, 210.714844 MB of memory in use. ENERGY: 4639800 764.9636 2040.6347 1924.8725 98.6079 -206066.5346 17645.4219 0.0000 0.0000 34231.8272 -149360.2067 298.9551 -183592.0339 -149267.7297 298.8502 -141.0297 -110.7847 557764.9787 -7.8646 -7.8250 PRESSURE: 4640000 200.326 -96.4902 -101.142 -96.4889 -4.68219 9.54129 -101.143 9.54187 -61.4686 GPRESSURE: 4640000 211.113 -80.9675 -119.896 -50.073 -8.97828 -35.8032 -139.044 7.68429 25.6483 PRESSAVG: 4640000 40.0352 -40.5099 -34.1584 -40.51 -64.6087 -18.2885 -34.1583 -18.2884 29.1186 GPRESSAVG: 4640000 38.6835 -40.5435 -39.0062 -42.2976 -64.5148 -18.9839 -33.0807 -16.7584 30.063 TIMING: 4640000 CPU: 13431.2, 0.00291844/step Wall: 13431.2, 0.00291844/step, 0.291844 hours remaining, 210.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4640000 740.4142 2059.9186 1937.9464 121.0521 -206237.6556 17845.0501 0.0000 0.0000 34113.6611 -149419.6133 297.9231 -183533.2743 -149322.5508 298.2508 44.7250 75.9276 558265.2816 1.5150 1.4106 PRESSURE: 4640200 148.131 -11.4252 -193.547 -11.4246 66.993 -56.9666 -193.548 -56.9647 72.0807 GPRESSURE: 4640200 223.993 -65.1551 -106.207 110.987 80.2432 -72.9338 -244.224 -37.2228 83.3954 PRESSAVG: 4640200 23.545 34.9539 -26.6449 34.954 -24.655 23.3494 -26.6448 23.3494 27.6063 GPRESSAVG: 4640200 22.9444 35.8123 -23.0251 34.0554 -24.8382 22.6606 -27.3848 23.0697 27.7115 TIMING: 4640200 CPU: 13431.8, 0.00289864/step Wall: 13431.8, 0.00289864/step, 0.289703 hours remaining, 210.714844 MB of memory in use. ENERGY: 4640200 732.1508 2090.7764 1920.1385 116.7828 -206589.6781 18002.5041 0.0000 0.0000 34218.7689 -149508.5567 298.8410 -183727.3256 -149415.5588 298.4829 95.7350 129.2105 556570.2365 8.8321 8.6059 LDB: ============= START OF LOAD BALANCING ============== 13435.2 LDB: ============== END OF LOAD BALANCING =============== 13435.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13435.2 LDB: ============= START OF LOAD BALANCING ============== 13435.5 LDB: Largest compute 4799 load 0.028648 is 24.3% of average load 0.118008 LDB: Average compute 0.001740 is 1.5% of average load 0.118008 LDB: TIME 13435.5 LOAD: AVG 0.118008 MAX 0.178757 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.742 MB LDB: TIME 13435.5 LOAD: AVG 0.118008 MAX 0.178757 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.941 MB LDB: TIME 13435.5 LOAD: AVG 0.118008 MAX 0.178757 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13435.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13435.5 PRESSURE: 4640400 -194.905 119.092 73.4555 119.092 -93.2903 -197.832 73.454 -197.833 -250.261 GPRESSURE: 4640400 -201.189 123.859 120.582 38.7338 -50.1981 -282.934 73.6832 -175.953 -179.375 PRESSAVG: 4640400 45.2399 17.5494 26.2165 17.5494 -34.5762 37.8051 26.2165 37.805 8.99963 GPRESSAVG: 4640400 46.6863 18.0607 27.9597 15.3562 -36.2615 39.576 25.4656 36.1869 8.90191 TIMING: 4640400 CPU: 13432.4, 0.00295321/step Wall: 13432.4, 0.00295321/step, 0.294993 hours remaining, 210.371094 MB of memory in use. ENERGY: 4640400 739.7337 2132.9075 1912.3482 112.4593 -206033.9640 17613.8736 0.0000 0.0000 34088.5279 -149434.1138 297.7036 -183522.6416 -149339.9901 298.9000 -179.4853 -143.5873 558010.0279 6.5544 6.4422 PRESSURE: 4640600 22.9485 -1.8602 -52.8892 -1.8595 78.7463 -123.625 -52.8878 -123.625 -69.5419 GPRESSURE: 4640600 34.9052 23.7495 -66.7413 -38.1691 119.849 -64.5571 -127.138 -159.813 -20.369 PRESSAVG: 4640600 -61.9531 28.1651 41.9066 28.1651 8.41584 18.8341 41.9066 18.8342 53.9332 GPRESSAVG: 4640600 -62.4265 27.8725 40.1837 32.9492 8.87896 18.8957 40.421 19.1071 53.8327 TIMING: 4640600 CPU: 13432.9, 0.00290505/step Wall: 13432.9, 0.00290505/step, 0.29002 hours remaining, 210.371094 MB of memory in use. ENERGY: 4640600 779.7364 2110.4295 1934.7344 118.1924 -206478.5336 17967.4490 0.0000 0.0000 34182.8174 -149385.1746 298.5270 -183567.9920 -149282.2174 298.2844 10.7176 44.7951 557689.6900 0.1320 0.0951 PRESSURE: 4640800 69.331 10.7788 -25.5582 10.7798 75.3002 -81.0514 -25.5596 -81.0507 -84.347 GPRESSURE: 4640800 95.5442 38.8991 -5.87644 9.85688 98.161 -69.3063 -29.6003 -94.0487 -24.9952 PRESSAVG: 4640800 -20.5826 -44.4905 -7.82205 -44.4905 65.3253 -35.4206 -7.8221 -35.4206 22.7235 GPRESSAVG: 4640800 -19.7367 -45.1394 -6.5421 -46.0128 65.6137 -36.2036 -8.22828 -36.3689 21.523 TIMING: 4640800 CPU: 13433.5, 0.00290393/step Wall: 13433.5, 0.00290393/step, 0.289748 hours remaining, 210.371094 MB of memory in use. ENERGY: 4640800 730.2617 2104.5100 1965.6664 107.7870 -206185.2971 17764.9962 0.0000 0.0000 34115.6341 -149396.4417 297.9403 -183512.0758 -149300.8483 298.4040 20.0948 56.2367 556700.5080 22.4887 22.4667 PRESSURE: 4641000 4.227 7.65776 -24.7877 7.65753 146.116 83.0375 -24.7869 83.0374 -18.6965 GPRESSURE: 4641000 3.15957 -43.2965 -105.864 -26.6282 199.169 -2.15056 37.5377 118.046 9.31656 PRESSAVG: 4641000 -12.1486 -34.0498 4.43598 -34.0497 27.0972 -19.6513 4.43588 -19.6513 -7.79001 GPRESSAVG: 4641000 -12.8324 -33.7506 2.01129 -35.2716 25.4456 -20.5818 6.83423 -17.9515 -5.87561 TIMING: 4641000 CPU: 13434.1, 0.00291482/step Wall: 13434.1, 0.00291482/step, 0.290672 hours remaining, 210.371094 MB of memory in use. ENERGY: 4641000 709.7667 2094.4109 1926.1067 113.4768 -206610.2889 18060.0405 0.0000 0.0000 34175.6464 -149530.8409 298.4644 -183706.4872 -149435.9482 298.3908 43.8821 70.5483 558135.9095 2.3862 2.2458 PRESSURE: 4641200 -231.25 9.98237 41.4611 9.98251 -133.645 -95.8117 41.4618 -95.8116 -30.3849 GPRESSURE: 4641200 -182.798 -52.0371 15.3178 40.0684 -173.656 -87.8681 37.1911 -85.4873 44.6779 PRESSAVG: 4641200 5.17564 21.6766 -8.814 21.6766 -7.43626 4.16549 -8.81403 4.16547 1.39674 GPRESSAVG: 4641200 5.97421 20.5218 -4.09663 22.5318 -7.95877 5.60086 -11.049 1.372 1.42686 TIMING: 4641200 CPU: 13434.7, 0.00289813/step Wall: 13434.7, 0.00289813/step, 0.288847 hours remaining, 210.371094 MB of memory in use. ENERGY: 4641200 712.2914 2088.4536 1927.0251 105.9814 -206209.7011 17527.2335 0.0000 0.0000 34421.7411 -149426.9750 300.6136 -183848.7161 -149330.4832 299.1099 -131.7601 -103.9253 558140.8814 -0.2880 -0.1859 PRESSURE: 4641400 -127.409 9.25961 100.272 9.26007 -384.179 -104.282 100.271 -104.281 -326.907 GPRESSURE: 4641400 -114.763 54.6292 120.066 9.63537 -345.718 -143.512 17.2946 -38.621 -267.378 PRESSAVG: 4641400 29.0023 -63.3925 77.8362 -63.3925 -51.8356 3.74771 77.8362 3.74765 61.9915 GPRESSAVG: 4641400 27.1487 -62.8218 75.5598 -61.5755 -49.901 2.20614 78.9134 6.10722 61.0407 TIMING: 4641400 CPU: 13435.3, 0.00288994/step Wall: 13435.3, 0.00288994/step, 0.28787 hours remaining, 210.371094 MB of memory in use. ENERGY: 4641400 759.9607 2082.6821 1921.8188 123.1332 -205828.9564 17489.2427 0.0000 0.0000 34168.5345 -149283.5845 298.4023 -183452.1189 -149186.7732 299.1429 -279.4982 -242.6193 557663.1266 13.0527 12.7628 PRESSURE: 4641600 57.8892 41.7635 -92.1542 41.764 -222.206 15.2316 -92.1531 15.2318 -39.018 GPRESSURE: 4641600 25.4899 107.207 -45.9716 -8.62425 -191.943 -16.537 -65.4423 -17.9446 62.6771 PRESSAVG: 4641600 88.8839 -11.6318 -37.1081 -11.6317 -31.7833 -31.9745 -37.1082 -31.9744 -68.4228 GPRESSAVG: 4641600 89.3747 -11.679 -38.718 -14.8088 -32.621 -32.0683 -35.2573 -31.4998 -68.7209 TIMING: 4641600 CPU: 13435.8, 0.00290612/step Wall: 13435.8, 0.00290612/step, 0.28932 hours remaining, 210.371094 MB of memory in use. ENERGY: 4641600 708.7475 2100.1493 1912.7562 116.6233 -205971.6239 17613.8643 0.0000 0.0000 34316.2491 -149203.2342 299.6923 -183519.4833 -149111.1979 299.1677 -67.7784 -34.5920 557200.2938 -3.7741 -3.9891 PRESSURE: 4641800 -2.67027 -79.6245 -97.1198 -79.6263 -127.493 -55.1743 -97.1198 -55.1756 -184.211 GPRESSURE: 4641800 7.08304 -136.905 -78.8797 -18.8589 -67.7826 -107.976 -86.8457 -135.097 -156.018 PRESSAVG: 4641800 32.614 -30.2722 -2.98777 -30.2722 -36.6779 -58.694 -2.98776 -58.6939 10.5069 GPRESSAVG: 4641800 32.6942 -28.4256 -1.61102 -30.3777 -36.9316 -59.8214 -4.45055 -58.1722 10.56 TIMING: 4641800 CPU: 13436.4, 0.00290687/step Wall: 13436.4, 0.00290687/step, 0.289233 hours remaining, 210.371094 MB of memory in use. ENERGY: 4641800 768.2917 2080.2382 1917.3150 120.0648 -206159.5194 17794.8323 0.0000 0.0000 34250.3416 -149228.4358 299.1168 -183478.7774 -149127.2156 299.5527 -104.7916 -72.2391 556574.7926 2.1477 2.1075 PRESSURE: 4642000 -242.498 -218.145 23.0672 -218.147 63.6757 -67.7374 23.0683 -67.7399 -11.9712 GPRESSURE: 4642000 -213.217 -217.008 -31.3824 -149.328 79.7048 -64.1458 -84.2986 -56.4058 33.049 PRESSAVG: 4642000 39.3514 -31.7852 20.0357 -31.7851 41.972 -15.8342 20.0357 -15.8341 -79.8888 GPRESSAVG: 4642000 39.8552 -31.1516 20.0134 -32.9678 41.9067 -14.2307 19.6009 -16.2179 -80.457 TIMING: 4642000 CPU: 13437, 0.00289948/step Wall: 13437, 0.00289948/step, 0.288337 hours remaining, 210.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4642000 717.6948 2130.7392 1923.2800 98.7714 -206147.1512 17715.6613 0.0000 0.0000 34273.9071 -149287.0975 299.3226 -183561.0045 -149187.2797 299.1672 -63.5978 -33.4877 557263.6693 0.4782 0.4350 PRESSURE: 4642200 297.304 -37.1524 74.4107 -37.1499 -186.774 -42.1971 74.4102 -42.1958 -4.75093 GPRESSURE: 4642200 314.866 -45.308 65.8826 -4.06643 -167.904 -83.0543 30.0228 -27.2905 54.8851 PRESSAVG: 4642200 20.3376 -1.60118 14.0012 -1.60112 27.5343 -14.8599 14.0013 -14.8598 -37.6122 GPRESSAVG: 4642200 19.3398 -2.97312 15.254 1.64602 27.2168 -13.8387 13.6269 -16.2382 -36.4276 TIMING: 4642200 CPU: 13437.6, 0.00288865/step Wall: 13437.6, 0.00288865/step, 0.2871 hours remaining, 210.371094 MB of memory in use. ENERGY: 4642200 718.5379 2113.1835 1933.6832 115.3248 -206336.0984 17880.2287 0.0000 0.0000 34392.1714 -149182.9689 300.3554 -183575.1403 -149077.9823 298.7581 35.2599 67.2823 557207.5857 3.4199 3.3763 PRESSURE: 4642400 159.132 6.17454 -66.4604 6.17544 -15.8574 8.61326 -66.4606 8.61362 77.2838 GPRESSURE: 4642400 177.29 -32.6944 -102.937 46.5093 55.5488 23.9865 -42.12 31.3855 89.0824 PRESSAVG: 4642400 -9.55514 39.7811 23.3565 39.7812 6.40554 14.3551 23.3566 14.355 56.5002 GPRESSAVG: 4642400 -9.49904 39.4941 23.5198 39.0548 7.36985 15.5479 22.8602 14.1345 55.0699 TIMING: 4642400 CPU: 13438.2, 0.00288884/step Wall: 13438.2, 0.00288884/step, 0.286958 hours remaining, 210.371094 MB of memory in use. ENERGY: 4642400 781.9801 2054.8581 1922.7814 112.4227 -205979.6155 17830.8939 0.0000 0.0000 34118.1488 -149158.5305 297.9623 -183276.6792 -149058.8133 299.5897 73.5194 107.3069 556064.5603 17.7835 17.6469 PRESSURE: 4642600 34.0332 109.068 77.1059 109.068 -208.781 -36.8317 77.1064 -36.8331 -103.237 GPRESSURE: 4642600 -12.2038 119.084 134.491 65.387 -96.3816 -21.8654 39.8593 -49.7266 -92.2095 PRESSAVG: 4642600 62.6581 25.1763 -23.2886 25.1764 -61.1056 -40.8639 -23.2887 -40.8638 21.3803 GPRESSAVG: 4642600 62.6586 26.1467 -24.6136 23.6907 -60.8329 -40.651 -21.4439 -39.277 20.6342 TIMING: 4642600 CPU: 13438.7, 0.00289145/step Wall: 13438.7, 0.00289145/step, 0.287057 hours remaining, 210.371094 MB of memory in use. ENERGY: 4642600 780.8889 2118.1961 1935.5108 106.8497 -206277.4111 17821.7494 0.0000 0.0000 34309.2404 -149204.9757 299.6311 -183514.2161 -149115.1623 299.2675 -92.6616 -66.9317 557761.0722 7.6442 7.4866 PRESSURE: 4642800 -164.877 -7.38563 -7.08986 -7.38603 -211.495 71.2877 -7.08904 71.2873 -146.876 GPRESSURE: 4642800 -144.982 -82.7507 -50.0231 18.7394 -151.649 71.3522 38.1743 51.9684 -124.122 PRESSAVG: 4642800 -12.6917 -38.558 -2.3621 -38.558 -19.0529 -32.2431 -2.36209 -32.243 20.5143 GPRESSAVG: 4642800 -13.261 -39.9812 -2.79484 -37.1293 -20.0148 -33.972 -1.8629 -32.1603 22.1573 TIMING: 4642800 CPU: 13439.3, 0.0028952/step Wall: 13439.3, 0.0028952/step, 0.287268 hours remaining, 210.371094 MB of memory in use. ENERGY: 4642800 712.6342 2097.6734 1945.2768 107.2743 -205738.2845 17461.5908 0.0000 0.0000 34321.0175 -149092.8175 299.7340 -183413.8350 -148999.1306 299.6449 -174.4159 -140.2510 557463.1161 -3.7434 -3.7061 PRESSURE: 4643000 176.826 -28.3779 -109.438 -28.378 22.4835 -37.0764 -109.437 -37.0753 -98.46 GPRESSURE: 4643000 266.337 74.0111 -82.9633 -43.7433 91.0078 -81.4511 -75.3616 -16.1418 -155.644 PRESSAVG: 4643000 15.4029 14.003 8.94778 14.0032 1.62041 10.0505 8.94776 10.0505 25.9312 GPRESSAVG: 4643000 16.0188 14.8134 10.2542 14.8341 1.56016 10.2713 8.21276 8.70459 25.3068 TIMING: 4643000 CPU: 13439.9, 0.00292022/step Wall: 13439.9, 0.00292022/step, 0.289589 hours remaining, 210.371094 MB of memory in use. ENERGY: 4643000 732.3427 2090.0629 1954.0161 113.6828 -206308.9680 17791.1258 0.0000 0.0000 34462.2219 -149165.5157 300.9672 -183627.7376 -149067.0722 299.2887 33.6166 67.2336 557336.7466 14.3182 14.2953 PRESSURE: 4643200 76.0581 -107.455 56.1571 -107.454 -281.378 20.2275 56.1557 20.2276 -308.529 GPRESSURE: 4643200 78.912 -130.306 100.327 -130.333 -282.391 -14.1286 35.1962 -13.7292 -225.317 PRESSAVG: 4643200 42.2577 9.42767 4.46154 9.42772 -23.8982 7.55706 4.4615 7.5571 -64.0673 GPRESSAVG: 4643200 40.5121 9.69725 2.57393 7.77075 -23.6953 6.77745 4.8097 8.46404 -62.874 TIMING: 4643200 CPU: 13440.5, 0.00289618/step Wall: 13440.5, 0.00289618/step, 0.287043 hours remaining, 210.371094 MB of memory in use. ENERGY: 4643200 743.6754 2142.9827 1940.0291 94.4020 -205836.6946 17473.4930 0.0000 0.0000 34252.6965 -149189.4158 299.1373 -183442.1123 -149093.9803 299.0535 -171.2830 -142.9320 557858.9577 -15.2359 -15.3524 PRESSURE: 4643400 393.251 49.8576 -63.1755 49.8585 254.743 64.1909 -63.1748 64.1903 -136.696 GPRESSURE: 4643400 373.635 74.4517 -21.2202 -9.55298 316.785 150.711 -29.0587 -56.1315 -80.6412 PRESSAVG: 4643400 45.0945 -58.7377 14.1934 -58.7376 -39.9005 5.15628 14.1934 5.15622 49.9237 GPRESSAVG: 4643400 46.5505 -57.5822 17.2838 -55.0333 -40.6973 5.88332 12.8536 5.39016 48.8565 TIMING: 4643400 CPU: 13441.1, 0.00287176/step Wall: 13441.1, 0.00287176/step, 0.284464 hours remaining, 210.371094 MB of memory in use. ENERGY: 4643400 768.0384 2079.6643 1952.2335 115.5979 -206512.8206 18125.7680 0.0000 0.0000 34317.8334 -149153.6851 299.7062 -183471.5185 -149058.9248 299.4567 170.4326 203.2594 555896.0123 18.3726 18.2366 PRESSURE: 4643600 34.1698 -100.489 -69.6723 -100.49 325.288 26.5691 -69.6742 26.5707 -115.582 GPRESSURE: 4643600 73.4201 -147.222 -80.0682 -18.8307 371.788 -20.5311 -43.4618 63.3373 -106.373 PRESSAVG: 4643600 30.204 -17.9184 46.3548 -17.9185 34.6325 18.8186 46.3548 18.8187 -43.4293 GPRESSAVG: 4643600 30.3559 -19.5075 44.1115 -19.6249 34.8535 19.4235 48.9145 17.4278 -43.1652 TIMING: 4643600 CPU: 13441.6, 0.00290164/step Wall: 13441.6, 0.00290164/step, 0.287263 hours remaining, 210.371094 MB of memory in use. ENERGY: 4643600 720.6610 2109.6633 1974.5110 110.2543 -206053.6062 17769.1211 0.0000 0.0000 34178.4628 -149190.9327 298.4890 -183369.3955 -149093.5276 299.5974 81.2917 112.9450 556035.4767 7.1357 7.3481 PRESSURE: 4643800 -238.71 -78.4078 -124.127 -78.4075 -172.79 37.3878 -124.127 37.388 -165.921 GPRESSURE: 4643800 -234.756 -42.5914 -111.303 -114.399 -60.8753 122.773 -169.244 20.1475 -179.434 PRESSAVG: 4643800 55.1242 -21.5169 -61.2324 -21.5169 17.0916 7.15676 -61.2324 7.15682 -15.9264 GPRESSAVG: 4643800 55.6561 -21.5182 -59.7327 -21.8525 18.188 8.06356 -62.2662 8.45577 -17.2192 TIMING: 4643800 CPU: 13442.2, 0.00291251/step Wall: 13442.2, 0.00291251/step, 0.288177 hours remaining, 210.371094 MB of memory in use. ENERGY: 4643800 766.3906 2098.6717 1913.2221 113.0076 -205945.3860 17622.6993 0.0000 0.0000 34138.2373 -149293.1575 298.1377 -183431.3947 -149203.1236 299.1101 -192.4737 -158.3551 558606.3014 18.7631 18.8750 PRESSURE: 4644000 74.6627 100.928 95.1508 100.928 -10.789 -61.1653 95.1504 -61.1653 241.971 GPRESSURE: 4644000 129.631 120.383 67.3327 71.8431 11.9559 -33.4596 79.1276 -22.8901 257.507 PRESSAVG: 4644000 -60.8486 -36.4602 -2.85414 -36.4603 23.1662 -23.6773 -2.85427 -23.6772 11.3033 GPRESSAVG: 4644000 -61.3254 -36.5144 -4.30209 -35.5802 21.7522 -24.7661 -1.92585 -23.7056 13.6061 TIMING: 4644000 CPU: 13442.8, 0.00288871/step Wall: 13442.8, 0.00288871/step, 0.285662 hours remaining, 210.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4644000 740.7940 2132.1546 1912.0738 119.3279 -206759.4729 18213.3762 0.0000 0.0000 34348.7964 -149292.9500 299.9766 -183641.7464 -149201.3764 298.9317 101.9482 133.0314 556537.9808 -8.7930 -8.6557 PRESSURE: 4644200 -114.842 -78.2399 -116.161 -78.2403 27.2868 87.915 -116.161 87.9131 -171.961 GPRESSURE: 4644200 -31.7301 -19.6648 -119.755 -154.496 -13.0924 72.5639 -216.533 55.7634 -116.395 PRESSAVG: 4644200 1.6011 -71.0012 4.79607 -71.0012 -44.9841 35.1411 4.79613 35.141 21.9153 GPRESSAVG: 4644200 1.12551 -71.5904 5.27789 -73.6492 -44.0832 34.4503 3.10926 34.6714 21.169 TIMING: 4644200 CPU: 13443.4, 0.00289256/step Wall: 13443.4, 0.00289256/step, 0.285882 hours remaining, 210.371094 MB of memory in use. ENERGY: 4644200 730.1915 2050.0020 1948.4817 126.6070 -206441.0291 17822.6214 0.0000 0.0000 34327.0121 -149436.1134 299.7863 -183763.1255 -149348.8156 298.6663 -86.5052 -53.7392 558106.9449 -7.1559 -7.2629 LDB: ============= START OF LOAD BALANCING ============== 13446.8 LDB: ============== END OF LOAD BALANCING =============== 13446.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13446.8 LDB: ============= START OF LOAD BALANCING ============== 13447.1 LDB: Largest compute 4799 load 0.029272 is 24.8% of average load 0.118010 LDB: Average compute 0.001743 is 1.5% of average load 0.118010 LDB: TIME 13447.1 LOAD: AVG 0.11801 MAX 0.181052 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.652 MB LDB: TIME 13447.1 LOAD: AVG 0.11801 MAX 0.181052 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.855 MB LDB: TIME 13447.1 LOAD: AVG 0.11801 MAX 0.181052 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13447.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13447.1 PRESSURE: 4644400 -95.9494 -91.6967 -69.6689 -91.6971 -162.745 90.0784 -69.6684 90.0801 -324.859 GPRESSURE: 4644400 -83.817 -173.835 -109.485 -70.851 -135.454 -38.6473 80.0627 114.132 -271.644 PRESSAVG: 4644400 1.53334 -20.9102 21.086 -20.9103 45.8171 18.6364 21.0861 18.6364 -0.9273 GPRESSAVG: 4644400 1.64472 -18.9164 21.6169 -20.0292 46.2607 18.8101 21.5469 19.4266 -1.5205 TIMING: 4644400 CPU: 13444, 0.00294986/step Wall: 13444, 0.00294986/step, 0.291381 hours remaining, 212.281250 MB of memory in use. ENERGY: 4644400 729.6864 2096.6638 1970.1184 119.6063 -206286.1458 17680.5098 0.0000 0.0000 34197.7269 -149491.8342 298.6573 -183689.5611 -149396.6659 298.8125 -194.5180 -163.6385 558108.0074 15.4744 15.4616 PRESSURE: 4644600 86.4157 221.413 96.1363 221.414 -33.2959 -116.389 96.1362 -116.39 314.563 GPRESSURE: 4644600 85.8827 232.841 61.2962 266.74 5.19713 -90.3771 155.261 -161.096 366.551 PRESSAVG: 4644600 -38.1765 13.7981 -14.7747 13.7981 20.5654 -23.3565 -14.7747 -23.3566 52.1383 GPRESSAVG: 4644600 -38.6995 12.0107 -16.6694 13.9436 19.8487 -23.0279 -12.5526 -25.1751 53.5135 TIMING: 4644600 CPU: 13444.5, 0.00287868/step Wall: 13444.5, 0.00287868/step, 0.28419 hours remaining, 212.351562 MB of memory in use. ENERGY: 4644600 751.8396 2125.9279 1926.5183 121.1164 -206675.6804 18140.9783 0.0000 0.0000 34010.5379 -149598.7619 297.0225 -183609.2998 -149502.3689 298.0524 122.5608 152.5437 557003.7849 11.5091 11.5542 PRESSURE: 4644800 -64.8718 -83.9224 -4.64559 -83.9223 166.371 202.06 -4.64616 202.06 -378.001 GPRESSURE: 4644800 -21.0324 -106.298 -95.7322 -125.791 200.796 196.396 68.0801 144.02 -357.64 PRESSAVG: 4644800 17.7396 -1.46871 30.4255 -1.46864 -24.688 -16.9869 30.4255 -16.9868 -2.95229 GPRESSAVG: 4644800 17.7691 -0.307932 31.31 -1.72452 -23.861 -17.5974 29.7171 -15.4034 -3.20631 TIMING: 4644800 CPU: 13445.1, 0.00292312/step Wall: 13445.1, 0.00292312/step, 0.288414 hours remaining, 212.351562 MB of memory in use. ENERGY: 4644800 766.6009 2088.9787 1941.3086 113.6297 -206342.2692 17850.0607 0.0000 0.0000 34161.3374 -149420.3533 298.3395 -183581.6907 -149316.3479 298.6974 -92.1674 -59.2919 558124.6343 -3.3002 -3.0994 PRESSURE: 4645000 62.7991 213.017 13.2623 213.019 0.943649 135.312 13.262 135.312 -3.42366 GPRESSURE: 4645000 53.5856 139.402 75.0429 94.8307 70.3993 139.119 -38.1602 126.041 33.2761 PRESSAVG: 4645000 5.37453 -8.52416 18.2734 -8.52407 16.0383 -12.094 18.2734 -12.0939 -37.9973 GPRESSAVG: 4645000 5.59043 -9.06233 19.5399 -8.96447 15.687 -10.5725 17.1936 -13.7292 -38.0104 TIMING: 4645000 CPU: 13445.7, 0.00292581/step Wall: 13445.7, 0.00292581/step, 0.288517 hours remaining, 212.351562 MB of memory in use. ENERGY: 4645000 771.0340 2072.5822 1948.4130 118.1038 -206591.5962 18038.9150 0.0000 0.0000 34205.9251 -149436.6230 298.7289 -183642.5482 -149336.9124 298.7742 20.1064 52.4203 557861.4391 -5.5282 -5.5776 PRESSURE: 4645200 -210.861 -32.1717 -65.0055 -32.1726 80.8935 42.123 -65.0054 42.1236 -101.383 GPRESSURE: 4645200 -232.01 -69.9815 -23.8045 -30.9891 153.918 29.5779 -59.9884 114.846 -61.9794 PRESSAVG: 4645200 -90.2341 -7.35049 28.1095 -7.35044 39.6703 -35.8059 28.1095 -35.806 43.708 GPRESSAVG: 4645200 -90.1724 -7.71172 27.5928 -8.94 40.2135 -36.5817 27.7164 -34.2976 43.1707 TIMING: 4645200 CPU: 13446.3, 0.00290441/step Wall: 13446.3, 0.00290441/step, 0.286246 hours remaining, 212.351562 MB of memory in use. ENERGY: 4645200 758.2981 2060.9280 1952.8962 111.6218 -206276.4132 17811.3008 0.0000 0.0000 34279.4783 -149301.8899 299.3712 -183581.3682 -149201.9627 299.0692 -77.1168 -46.6905 559189.8597 -2.2853 -2.2628 PRESSURE: 4645400 -140.448 -153.386 -10.9914 -153.386 42.5049 87.189 -10.9919 87.1881 132.124 GPRESSURE: 4645400 -81.1103 -99.3173 -68.7903 -60.5916 28.9015 80.445 14.339 140.592 188.845 PRESSAVG: 4645400 -9.40124 -15.5326 -18.3532 -15.5326 -1.67237 -22.0662 -18.3531 -22.0663 24.6763 GPRESSAVG: 4645400 -9.23602 -14.8335 -19.8195 -13.66 -2.47699 -23.0511 -16.1638 -23.0548 25.0536 TIMING: 4645400 CPU: 13446.9, 0.00289836/step Wall: 13446.9, 0.00289836/step, 0.285488 hours remaining, 212.351562 MB of memory in use. ENERGY: 4645400 752.1395 2068.2644 1940.4545 113.4250 -206129.7764 17769.9000 0.0000 0.0000 34245.3289 -149240.2641 299.0730 -183485.5931 -149140.7251 299.8657 11.3936 45.5453 556753.3975 4.5342 4.4469 PRESSURE: 4645600 90.2476 56.0275 -242.899 56.0284 204.816 71.0141 -242.899 71.0139 106.261 GPRESSURE: 4645600 185.106 20.9053 -241.322 53.5806 236.967 60.3533 -217.961 111.294 81.936 PRESSAVG: 4645600 47.6899 -44.5676 -16.7321 -44.5675 14.9531 20.627 -16.7321 20.6269 -40.1579 GPRESSAVG: 4645600 48.8059 -44.309 -16.8251 -45.1756 15.2879 20.1202 -18.5473 23.7569 -41.5823 TIMING: 4645600 CPU: 13447.5, 0.00288502/step Wall: 13447.5, 0.00288502/step, 0.284014 hours remaining, 212.351562 MB of memory in use. ENERGY: 4645600 757.0656 2013.9686 1976.2563 112.4509 -206629.5309 18033.1500 0.0000 0.0000 34353.1431 -149383.4963 300.0145 -183736.6394 -149289.0553 299.1826 133.7750 168.0031 556173.3087 7.4951 7.5038 PRESSURE: 4645800 53.5117 -125.445 -33.7418 -125.444 -75.8943 -94.1873 -33.7424 -94.1879 -368.636 GPRESSURE: 4645800 66.6933 -117.708 -37.6233 -155.979 -58.6277 -104.39 -2.40811 -132.879 -295.94 PRESSAVG: 4645800 -64.3182 -20.0027 -60.2059 -20.0026 66.523 31.3442 -60.2059 31.3441 -35.3755 GPRESSAVG: 4645800 -65.9324 -20.3445 -60.4107 -20.0558 66.5384 34.1805 -58.5133 26.6931 -33.9706 TIMING: 4645800 CPU: 13448, 0.00293045/step Wall: 13448, 0.00293045/step, 0.288324 hours remaining, 212.351562 MB of memory in use. ENERGY: 4645800 727.2857 2058.4687 1963.6981 104.1797 -205838.8125 17647.0746 0.0000 0.0000 34161.9682 -149176.1377 298.3450 -183338.1059 -149070.8726 299.7013 -130.3395 -95.9581 557708.2437 -11.0569 -11.1216 PRESSURE: 4646000 -39.0296 171.593 -62.5658 171.592 -139.467 -44.3843 -62.5661 -44.3842 -47.902 GPRESSURE: 4646000 -81.202 243.041 -124.67 196.512 -75.1807 -20.2476 20.1726 -17.68 16.7594 PRESSAVG: 4646000 -8.43483 -27.5623 31.0027 -27.5624 -20.044 15.0814 31.0025 15.0815 -6.37798 GPRESSAVG: 4646000 -9.12202 -27.1975 32.5608 -28.0221 -20.0925 12.1471 31.7572 18.8314 -5.58174 TIMING: 4646000 CPU: 13448.6, 0.00289784/step Wall: 13448.6, 0.00289784/step, 0.284954 hours remaining, 212.351562 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: 4646000 757.1416 2139.0122 1938.3396 120.2918 -205931.3552 17756.0084 0.0000 0.0000 34111.4536 -149109.1079 297.9038 -183220.5616 -149016.7747 300.1732 -75.4662 -46.5411 556412.9668 -11.6189 -11.5988 PRESSURE: 4646200 219.363 32.1995 -53.7791 32.1998 -120.048 67.8334 -53.7792 67.8343 139.844 GPRESSURE: 4646200 213.481 42.043 -119.182 67.1179 14.0892 50.0945 -9.81735 91.592 116.834 PRESSAVG: 4646200 25.3484 12.24 -2.1776 12.24 11.1844 27.1621 -2.17768 27.1621 -6.23976 GPRESSAVG: 4646200 24.7175 10.6328 -2.88805 13.8542 11.6601 26.8523 -2.89363 27.527 -6.70053 TIMING: 4646200 CPU: 13449.2, 0.00291432/step Wall: 13449.2, 0.00291432/step, 0.286413 hours remaining, 212.351562 MB of memory in use. ENERGY: 4646200 751.0176 2109.6374 1939.4939 112.9481 -206156.6617 17891.6919 0.0000 0.0000 34427.6477 -148924.2250 300.6652 -183351.8727 -148825.1595 300.4122 79.7195 114.8015 557549.5209 10.0977 9.8924 PRESSURE: 4646400 92.1562 227.072 -122.315 227.072 108.197 -119.426 -122.315 -119.426 39.32 GPRESSURE: 4646400 91.4105 282.863 -9.14939 124.596 193.278 -121.645 -153.431 -68.4657 61.1926 PRESSAVG: 4646400 1.7668 45.4025 -47.8215 45.4026 -8.14964 16.5003 -47.8215 16.5003 12.2908 GPRESSAVG: 4646400 1.97517 46.2341 -44.0677 44.339 -8.38319 17.5541 -50.6232 15.7583 12.436 TIMING: 4646400 CPU: 13449.8, 0.00292102/step Wall: 13449.8, 0.00292102/step, 0.286909 hours remaining, 212.351562 MB of memory in use. ENERGY: 4646400 771.1796 2094.5349 1942.3401 121.5387 -206035.2749 17812.5605 0.0000 0.0000 34317.3843 -148975.7367 299.7023 -183293.1211 -148877.9200 300.5610 79.8909 115.2936 556819.9825 1.9693 2.0093 PRESSURE: 4646600 -131.005 270.496 -282.935 270.497 -137.229 -47.8853 -282.935 -47.8853 33.3306 GPRESSURE: 4646600 -167.828 212.846 -298.785 321.349 -49.799 -73.2979 -267.422 -75.2595 81.3861 PRESSAVG: 4646600 -23.5406 58.7756 -12.1043 58.7756 20.1491 2.63312 -12.1044 2.63302 27.3138 GPRESSAVG: 4646600 -23.6192 56.6434 -16.1993 59.2902 18.7883 1.7281 -9.27562 2.80889 28.5939 TIMING: 4646600 CPU: 13450.4, 0.00292367/step Wall: 13450.4, 0.00292367/step, 0.287007 hours remaining, 212.351562 MB of memory in use. ENERGY: 4646600 775.2853 2056.9216 1942.8951 109.1102 -205992.2485 17743.1207 0.0000 0.0000 34469.0020 -148895.9137 301.0264 -183364.9157 -148799.0913 300.3780 -78.3012 -45.4138 557923.0072 7.9741 7.9210 PRESSURE: 4646800 263.779 96.4795 -89.2586 96.4786 110.883 81.6827 -89.259 81.6812 101.862 GPRESSURE: 4646800 291.494 149.498 -109.901 18.0473 75.2245 92.3199 -26.9105 -7.7612 204.421 PRESSAVG: 4646800 -19.6021 78.651 -20.8952 78.651 -8.64026 20.2051 -20.8951 20.2051 7.97015 GPRESSAVG: 4646800 -18.2993 79.414 -19.1893 79.8844 -8.58068 18.2956 -24.0361 19.8861 6.54267 TIMING: 4646800 CPU: 13451, 0.00291001/step Wall: 13451, 0.00291001/step, 0.285504 hours remaining, 212.351562 MB of memory in use. ENERGY: 4646800 750.7123 2113.7575 1942.1345 116.3259 -206659.4715 18141.2613 0.0000 0.0000 34388.5886 -149206.6914 300.3241 -183595.2801 -149109.7765 299.5867 158.8413 190.3800 556449.1228 -6.7574 -6.7791 PRESSURE: 4647000 -57.2528 78.6908 -78.4244 78.6906 38.1733 104.088 -78.4237 104.09 156.834 GPRESSURE: 4647000 2.58903 131.001 11.6543 34.374 28.1236 130.347 -71.104 84.9917 208.05 PRESSAVG: 4647000 -26.6566 20.3517 6.03844 20.3517 19.0405 -6.98563 6.03847 -6.98561 19.5234 GPRESSAVG: 4647000 -26.4382 21.3853 8.22358 19.0429 19.0038 -4.7088 7.73432 -6.63898 19.4847 TIMING: 4647000 CPU: 13451.5, 0.00290738/step Wall: 13451.5, 0.00290738/step, 0.285085 hours remaining, 212.351562 MB of memory in use. ENERGY: 4647000 719.0257 2124.8970 1953.8190 122.6517 -206116.2003 17758.0015 0.0000 0.0000 34160.9326 -149276.8729 298.3359 -183437.8054 -149176.7473 299.0288 45.9181 79.5875 556474.2789 3.9691 4.0168 PRESSURE: 4647200 -4.0143 90.5931 34.8474 90.5953 -83.4729 -60.3512 34.8475 -60.3518 -98.2919 GPRESSURE: 4647200 94.726 10.8187 -17.1589 120.885 -82.1083 -120.48 88.1584 17.4133 -113.639 PRESSAVG: 4647200 -80.4098 85.2324 2.41246 85.2324 59.8588 -15.8013 2.41246 -15.8014 16.0799 GPRESSAVG: 4647200 -80.56 83.5432 1.40331 85.3224 60.4993 -16.2786 2.88178 -17.3464 15.8227 TIMING: 4647200 CPU: 13452.1, 0.00290264/step Wall: 13452.1, 0.00290264/step, 0.284459 hours remaining, 212.351562 MB of memory in use. ENERGY: 4647200 725.7147 2070.2756 1966.1362 117.4420 -206027.3926 17530.2287 0.0000 0.0000 34333.2467 -149284.3487 299.8408 -183617.5954 -149190.7370 299.3782 -61.9264 -33.6739 557092.1519 -1.4904 -1.4127 PRESSURE: 4647400 -6.68327 3.23602 -75.901 3.23622 13.9237 -204.137 -75.9004 -204.138 -117.743 GPRESSURE: 4647400 6.08528 -3.86264 3.27542 72.2216 61.0584 -174.053 -63.1129 -272.012 -67.7504 PRESSAVG: 4647400 7.37722 -5.62823 -22.9628 -5.62828 17.6905 -26.0457 -22.9628 -26.0458 8.4625 GPRESSAVG: 4647400 6.32493 -5.06374 -21.8462 -6.67247 19.3342 -26.8813 -25.8358 -25.6997 8.2852 TIMING: 4647400 CPU: 13452.7, 0.0029154/step Wall: 13452.7, 0.0029154/step, 0.285547 hours remaining, 212.351562 MB of memory in use. ENERGY: 4647400 731.1804 2058.6430 1959.5128 127.3593 -205896.9613 17637.3334 0.0000 0.0000 34230.0027 -149152.9298 298.9391 -183382.9325 -149055.2273 299.0259 -36.8343 -0.2022 557454.0416 11.1767 11.3148 PRESSURE: 4647600 -38.4223 65.6804 -215.875 65.6797 182.957 5.84721 -215.874 5.84774 166.436 GPRESSURE: 4647600 28.691 58.2014 -129.81 160.709 200.653 -38.703 -148.6 44.337 180.661 PRESSAVG: 4647600 -44.4044 24.4966 -11.2555 24.4966 -48.614 -1.1657 -11.2555 -1.16571 36.5475 GPRESSAVG: 4647600 -44.5483 26.774 -11.0091 26.1709 -49.3242 1.37426 -9.42712 -2.02321 37.1184 TIMING: 4647600 CPU: 13453.3, 0.00291706/step Wall: 13453.3, 0.00291706/step, 0.285548 hours remaining, 212.351562 MB of memory in use. ENERGY: 4647600 751.1407 2096.5655 1925.4548 108.7609 -205953.2798 17764.6918 0.0000 0.0000 34072.5638 -149234.1023 297.5642 -183306.6661 -149138.4022 298.3018 103.6570 136.6683 556139.6416 -18.8236 -18.9180 PRESSURE: 4647800 -44.6423 -91.3082 213.306 -91.3095 -71.1428 -150.632 213.307 -150.63 -426.129 GPRESSURE: 4647800 -33.843 -113.659 222.223 -41.0446 -34.1045 -149.338 172.124 -143.467 -360.566 PRESSAVG: 4647800 -69.4277 22.3994 -26.9309 22.3995 62.6291 -25.5242 -26.9308 -25.5241 9.06366 GPRESSAVG: 4647800 -69.6303 21.7907 -27.4831 22.3558 63.6811 -25.9364 -26.2197 -25.0609 7.79055 TIMING: 4647800 CPU: 13453.9, 0.00292494/step Wall: 13453.9, 0.00292494/step, 0.286157 hours remaining, 212.351562 MB of memory in use. ENERGY: 4647800 764.4104 2065.8897 1965.1863 112.8115 -205752.0926 17491.5623 0.0000 0.0000 34147.9099 -149204.3226 298.2222 -183352.2325 -149115.0471 299.1242 -180.6381 -142.8377 555760.2839 0.7550 0.6138 PRESSURE: 4648000 -101.105 69.1862 -143.07 69.1867 108.499 -24.6234 -143.069 -24.6245 -216.295 GPRESSURE: 4648000 -121.191 113.823 -109.676 122.813 130.733 -48.4605 -182.918 -52.8597 -114.077 PRESSAVG: 4648000 -22.1972 36.3727 -0.303704 36.3727 84.1136 -34.9101 -0.303782 -34.91 -32.7799 GPRESSAVG: 4648000 -21.7653 35.281 -1.21279 35.8155 81.6345 -35.4735 -1.28961 -35.1829 -31.2266 TIMING: 4648000 CPU: 13454.4, 0.0029048/step Wall: 13454.4, 0.0029048/step, 0.284025 hours remaining, 212.351562 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: 4648000 728.0084 2080.7644 1950.0349 116.7156 -205946.6929 17550.9713 0.0000 0.0000 34221.6295 -149298.5689 298.8660 -183520.1984 -149208.5236 298.8069 -69.6338 -34.8450 556050.8596 9.7122 9.5475 PRESSURE: 4648200 -112.448 -174.325 -107.299 -174.324 88.141 47.6968 -107.299 47.6973 -301.994 GPRESSURE: 4648200 14.673 -87.667 -82.387 -117.717 95.5887 84.8528 -126.709 39.9876 -327.005 PRESSAVG: 4648200 19.5214 58.1108 -29.2618 58.1107 -1.56396 9.23082 -29.2618 9.23086 -30.0269 GPRESSAVG: 4648200 20.8682 57.7724 -28.5404 60.5665 -1.57875 6.34783 -29.6233 11.0578 -31.5307 TIMING: 4648200 CPU: 13455, 0.00289591/step Wall: 13455, 0.00289591/step, 0.282995 hours remaining, 212.351562 MB of memory in use. ENERGY: 4648200 719.6454 2095.9664 1944.7731 112.5002 -205805.5943 17430.2322 0.0000 0.0000 34154.0652 -149348.4118 298.2759 -183502.4769 -149256.2865 298.0576 -108.7671 -72.2477 556698.9097 -4.0231 -4.0804 LDB: ============= START OF LOAD BALANCING ============== 13458.4 LDB: ============== END OF LOAD BALANCING =============== 13458.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13458.4 LDB: ============= START OF LOAD BALANCING ============== 13458.7 LDB: Largest compute 4773 load 0.029501 is 25.0% of average load 0.117926 LDB: Average compute 0.001739 is 1.5% of average load 0.117926 LDB: TIME 13458.7 LOAD: AVG 0.117926 MAX 0.179602 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.129 MB LDB: TIME 13458.7 LOAD: AVG 0.117926 MAX 0.179602 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.129 MB LDB: TIME 13458.7 LOAD: AVG 0.117926 MAX 0.179602 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.129 MB LDB: ============== END OF LOAD BALANCING =============== 13458.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13458.7 PRESSURE: 4648400 -39.3038 -95.6227 -24.3348 -95.6216 -40.7826 2.79369 -24.3345 2.79294 312.981 GPRESSURE: 4648400 44.4611 -17.6159 -14.8646 -4.33161 -3.37793 46.9526 7.39086 -31.3668 294.304 PRESSAVG: 4648400 -24.286 9.78998 1.4355 9.78992 -35.8867 -52.0145 1.43554 -52.0144 66.1344 GPRESSAVG: 4648400 -25.9031 13.2225 -0.861825 5.19629 -36.3191 -50.5314 2.14421 -52.4018 67.8654 TIMING: 4648400 CPU: 13455.6, 0.002959/step Wall: 13455.6, 0.002959/step, 0.288995 hours remaining, 211.761719 MB of memory in use. ENERGY: 4648400 738.3313 2085.7575 1913.3497 107.0088 -206131.4633 17862.5080 0.0000 0.0000 34254.3726 -149170.1355 299.1520 -183424.5081 -149071.9159 298.9909 77.6314 111.7956 558078.8017 1.9872 1.8811 PRESSURE: 4648600 111.8 -98.9098 -52.2188 -98.9105 -112.534 -125.017 -52.219 -125.015 61.82 GPRESSURE: 4648600 158.679 -88.0822 -116.666 -15.782 -79.1004 -68.2959 -4.5555 -173.918 89.7573 PRESSAVG: 4648600 -6.04687 -38.4362 -7.07565 -38.4363 -0.0676115 -46.1277 -7.07564 -46.1277 -6.35582 GPRESSAVG: 4648600 -4.52901 -40.5786 -7.08017 -35.6286 -0.262435 -44.7205 -8.01272 -44.1821 -7.72074 TIMING: 4648600 CPU: 13456.2, 0.00289896/step Wall: 13456.2, 0.00289896/step, 0.282971 hours remaining, 211.761719 MB of memory in use. ENERGY: 4648600 720.9808 2078.9011 1940.2240 109.8387 -206095.9171 17751.7734 0.0000 0.0000 34348.1073 -149146.0920 299.9706 -183494.1993 -149050.8949 299.6932 20.3619 56.4453 555315.1071 -4.1568 -4.1707 PRESSURE: 4648800 -31.1734 -16.3882 -12.4227 -16.3882 131.777 100.227 -12.4216 100.226 162.161 GPRESSURE: 4648800 15.58 -39.8672 32.8594 -66.9257 131.275 13.467 -51.7041 177.212 227.192 PRESSAVG: 4648800 -13.3426 -13.7293 -71.9039 -13.7294 21.0533 -31.5963 -71.9039 -31.5963 -59.8977 GPRESSAVG: 4648800 -13.6993 -12.8409 -71.032 -14.5737 20.591 -32.6375 -70.1524 -33.5161 -58.7035 TIMING: 4648800 CPU: 13456.8, 0.00294636/step Wall: 13456.8, 0.00294636/step, 0.287434 hours remaining, 211.761719 MB of memory in use. ENERGY: 4648800 763.7350 2017.6736 1958.2573 130.5012 -205848.9637 17748.1432 0.0000 0.0000 34159.6718 -149070.9817 298.3249 -183230.6535 -148972.9945 298.8144 87.5880 124.6823 555662.7264 -17.3956 -17.2706 PRESSURE: 4649000 327.618 -95.6601 -22.8705 -95.6613 -20.4616 -68.9356 -22.8687 -68.9347 52.4826 GPRESSURE: 4649000 306.461 -64.6555 47.9466 -82.1805 34.3545 -180.111 27.6451 -27.8271 125.068 PRESSAVG: 4649000 6.769 -11.5702 -1.4964 -11.5702 11.9847 2.73072 -1.49627 2.73072 -18.0111 GPRESSAVG: 4649000 6.94534 -15.4065 0.0544698 -10.9305 13.2879 2.23982 -2.56646 2.72883 -19.0384 TIMING: 4649000 CPU: 13457.4, 0.00293632/step Wall: 13457.4, 0.00293632/step, 0.286291 hours remaining, 211.761719 MB of memory in use. ENERGY: 4649000 727.9610 2151.0635 1929.1869 108.3754 -206220.2485 17868.5155 0.0000 0.0000 34189.2832 -149245.8629 298.5835 -183435.1461 -149150.1704 299.1765 119.8798 155.2944 556533.9194 0.2475 0.3983 PRESSURE: 4649200 -17.1678 -133.081 -71.582 -133.08 204.995 88.5917 -71.5822 88.5901 -101.649 GPRESSURE: 4649200 -52.3201 -80.6561 -62.95 -186.254 260.398 90.9564 -108.526 116.522 -25.0162 PRESSAVG: 4649200 77.6845 -59.7376 -26.8084 -59.7377 -5.09272 -14.5436 -26.8083 -14.5437 -65.3569 GPRESSAVG: 4649200 76.1108 -54.8724 -27.3118 -61.4538 -4.91808 -13.9511 -29.4206 -14.2193 -64.0041 TIMING: 4649200 CPU: 13458, 0.00291895/step Wall: 13458, 0.00291895/step, 0.284436 hours remaining, 211.761719 MB of memory in use. ENERGY: 4649200 767.0478 2073.1120 1953.1851 122.2808 -205906.9355 17723.6368 0.0000 0.0000 34184.5011 -149083.1718 298.5418 -183267.6730 -148986.0565 299.3854 28.7260 61.0205 556757.0744 2.4116 2.3962 PRESSURE: 4649400 -439.328 64.4469 100.441 64.4453 -256.328 -38.0069 100.441 -38.0077 -263.833 GPRESSURE: 4649400 -356.027 13.238 55.0054 6.59891 -213.611 1.82542 216.076 34.4904 -286.35 PRESSAVG: 4649400 -34.7558 -56.3671 -1.74682 -56.3671 15.068 18.4993 -1.74675 18.4994 -59.4328 GPRESSAVG: 4649400 -32.6112 -58.0752 -3.40386 -55.4948 15.5922 18.2668 3.06231 19.9296 -61.4635 TIMING: 4649400 CPU: 13458.5, 0.00292024/step Wall: 13458.5, 0.00292024/step, 0.284399 hours remaining, 211.761719 MB of memory in use. ENERGY: 4649400 776.2670 2096.7856 1960.9418 119.4576 -205447.2692 17325.3948 0.0000 0.0000 34050.7930 -149117.6292 297.3740 -183168.4223 -149021.9692 299.3168 -319.8299 -285.3291 558513.5841 -26.3735 -26.1608 PRESSURE: 4649600 48.0168 120.447 18.3382 120.447 -35.4122 -105.843 18.3409 -105.843 80.0812 GPRESSURE: 4649600 62.356 52.9592 61.1605 158.172 38.3077 -102.099 -27.6635 -168.075 90.1185 PRESSAVG: 4649600 -32.2986 -63.666 -21.7434 -63.6659 81.1992 14.997 -21.7434 14.9969 -73.9359 GPRESSAVG: 4649600 -32.9875 -64.3182 -19.5872 -63.6744 82.3508 16.5202 -23.757 11.7551 -74.4126 TIMING: 4649600 CPU: 13459.1, 0.00291063/step Wall: 13459.1, 0.00291063/step, 0.283301 hours remaining, 211.761719 MB of memory in use. ENERGY: 4649600 717.1641 2131.5972 1935.9892 101.9990 -205756.0581 17567.1990 0.0000 0.0000 34152.0705 -149150.0391 298.2585 -183302.1095 -149056.9287 299.2876 30.8953 63.5941 558769.1153 -8.3451 -8.3497 PRESSURE: 4649800 -155.292 142.558 -16.3021 142.558 -165.566 47.3203 -16.3019 47.3219 -163.68 GPRESSURE: 4649800 -99.9052 139.639 0.855632 68.2945 -154.124 86.872 46.8575 74.8478 -133.494 PRESSAVG: 4649800 -14.0574 -10.2493 36.0419 -10.2491 17.6138 -28.8451 36.0419 -28.8451 10.547 GPRESSAVG: 4649800 -14.2946 -7.15456 32.6937 -13.1655 16.4222 -28.8095 38.1749 -27.3138 11.8492 TIMING: 4649800 CPU: 13459.7, 0.00294417/step Wall: 13459.7, 0.00294417/step, 0.286402 hours remaining, 211.761719 MB of memory in use. ENERGY: 4649800 731.5178 2079.8915 1939.6854 96.0306 -206041.3236 17616.9312 0.0000 0.0000 34103.8167 -149473.4505 297.8371 -183577.2672 -149372.9424 298.8348 -161.5128 -129.1745 558001.2985 4.7011 4.6590 PRESSURE: 4650000 252.394 -54.6318 91.2093 -54.6327 53.5684 13.7458 91.2096 13.7484 59.6493 GPRESSURE: 4650000 280.583 -43.6772 83.4952 2.42153 97.4175 48.3556 219.27 35.1875 78.7732 PRESSAVG: 4650000 -0.320264 15.2883 27.1431 15.2883 23.6525 19.1475 27.1431 19.1476 -29.0912 GPRESSAVG: 4650000 0.0272519 13.1397 28.7424 17.4941 23.8103 19.2505 27.0983 16.4279 -29.1226 TIMING: 4650000 CPU: 13460.3, 0.00294249/step Wall: 13460.3, 0.00294249/step, 0.286075 hours remaining, 211.761719 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: 4650000 729.2399 2080.5651 1932.7278 115.9817 -206493.1696 18032.3541 0.0000 0.0000 34119.0033 -149483.2976 297.9697 -183602.3009 -149391.4865 298.3258 121.8705 152.2580 558436.5667 -1.9197 -1.7617 PRESSURE: 4650200 -9.12398 70.813 123.041 70.815 47.1338 56.456 123.043 56.456 -166.74 GPRESSURE: 4650200 -35.2597 20.2029 35.4568 92.9046 41.5301 60.9306 162.727 42.2875 -50.3887 PRESSAVG: 4650200 20.2802 39.1732 -19.1318 39.1732 -27.2793 -1.58813 -19.1318 -1.58821 16.8392 GPRESSAVG: 4650200 18.6167 36.8779 -18.9332 40.7114 -26.0917 -1.88899 -22.2503 0.260867 17.4122 TIMING: 4650200 CPU: 13460.9, 0.00293717/step Wall: 13460.9, 0.00293717/step, 0.285395 hours remaining, 211.761719 MB of memory in use. ENERGY: 4650200 734.9551 2120.9199 1898.5464 102.0830 -206077.5453 17587.0654 0.0000 0.0000 34170.0353 -149463.9403 298.4154 -183633.9756 -149363.5905 298.6373 -42.9101 -14.7061 557757.2689 3.2801 3.3124 PRESSURE: 4650400 -82.7638 -45.4625 -114.891 -45.4611 -185.972 55.0815 -114.891 55.0803 -35.8744 GPRESSURE: 4650400 -81.4802 -20.142 -142.28 -38.8684 -136.328 19.2928 -110.114 95.3287 13.7226 PRESSAVG: 4650400 83.6429 39.8599 -14.9143 39.8599 -20.1554 -26.3497 -14.9142 -26.3498 -5.07792 GPRESSAVG: 4650400 84.5696 41.8488 -14.6505 39.1729 -20.976 -26.5343 -14.8602 -24.4388 -5.51505 TIMING: 4650400 CPU: 13461.5, 0.00289263/step Wall: 13461.5, 0.00289263/step, 0.280906 hours remaining, 211.761719 MB of memory in use. ENERGY: 4650400 757.5614 2053.6420 1947.6748 118.9851 -205828.8901 17510.6065 0.0000 0.0000 34067.5223 -149372.8979 297.5201 -183440.4202 -149279.7078 298.5905 -101.5367 -68.0286 556264.8082 19.4699 19.3595 PRESSURE: 4650600 -20.0383 105.181 -129.691 105.18 -146.944 -62.8793 -129.691 -62.8784 -63.9628 GPRESSURE: 4650600 -31.0531 13.8342 -112.793 184.367 -27.8343 -109.978 -82.9032 -6.24843 -75.6289 PRESSAVG: 4650600 77.1625 -4.32842 22.3236 -4.32838 -28.0442 -75.9761 22.3237 -75.9761 -15.5144 GPRESSAVG: 4650600 77.6719 -2.52439 22.9614 -4.53286 -28.3128 -74.5696 22.4655 -76.4646 -15.7615 TIMING: 4650600 CPU: 13462.1, 0.00291107/step Wall: 13462.1, 0.00291107/step, 0.282536 hours remaining, 211.761719 MB of memory in use. ENERGY: 4650600 760.1762 2055.3425 1941.9964 106.7495 -206336.2906 17679.8674 0.0000 0.0000 34361.6451 -149430.5135 300.0888 -183792.1586 -149333.2107 298.4778 -76.9815 -44.8388 556540.2232 11.2013 11.1992 PRESSURE: 4650800 271.35 -42.1464 138.45 -42.1468 -37.7623 152.075 138.45 152.077 -247.441 GPRESSURE: 4650800 304.205 -96.8188 70.519 44.7007 -36.752 137.384 63.9317 118.982 -186.125 PRESSAVG: 4650800 35.8457 -4.13145 -30.0768 -4.13145 13.245 17.2893 -30.0767 17.2892 -49.3691 GPRESSAVG: 4650800 36.3842 -6.4447 -32.3429 -3.36225 12.676 15.2054 -28.4192 16.2545 -48.6012 TIMING: 4650800 CPU: 13462.6, 0.0029116/step Wall: 13462.6, 0.0029116/step, 0.282426 hours remaining, 211.761719 MB of memory in use. ENERGY: 4650800 779.8920 2124.0709 1951.9480 104.2866 -206264.4278 17862.9140 0.0000 0.0000 34230.1519 -149211.1645 298.9404 -183441.3163 -149114.6817 299.0530 -4.6179 27.1092 556698.5752 -0.0928 0.1530 PRESSURE: 4651000 -97.8176 -180.53 47.0725 -180.53 -48.7469 -157.524 47.0718 -157.524 -93.134 GPRESSURE: 4651000 -21.1355 -182.665 34.2779 -159.588 -57.1104 -83.2195 0.629365 -70.2018 -66.7215 PRESSAVG: 4651000 -62.7367 -5.13606 -43.609 -5.13607 0.994392 29.0363 -43.609 29.0364 27.6817 GPRESSAVG: 4651000 -62.8118 -2.94917 -42.1801 -6.53026 2.27756 30.7529 -45.1411 28.8032 26.1482 TIMING: 4651000 CPU: 13463.2, 0.00291338/step Wall: 13463.2, 0.00291338/step, 0.282436 hours remaining, 211.761719 MB of memory in use. ENERGY: 4651000 794.1126 2104.8610 1930.6267 116.7615 -206158.2857 17937.0884 0.0000 0.0000 34031.1369 -149243.6986 297.2024 -183274.8355 -149147.9966 299.3385 -79.8995 -48.3225 558043.3354 -11.3535 -11.4620 PRESSURE: 4651200 69.9982 133.277 -67.1923 133.278 -181.693 -14.7531 -67.192 -14.7522 -349.617 GPRESSURE: 4651200 99.8202 149.941 -142.832 207.473 -142.931 58.7572 -35.5197 -74.3339 -316.711 PRESSAVG: 4651200 -62.5169 -23.5428 -34.9837 -23.5429 20.8065 4.25157 -34.9837 4.25152 29.7608 GPRESSAVG: 4651200 -63.3622 -25.8685 -35.1583 -21.5642 21.1355 3.36449 -33.6476 4.61872 30.8764 TIMING: 4651200 CPU: 13463.8, 0.00290205/step Wall: 13463.8, 0.00290205/step, 0.281176 hours remaining, 211.761719 MB of memory in use. ENERGY: 4651200 759.3892 2096.0968 1930.1580 116.3496 -206172.6539 17675.0993 0.0000 0.0000 34245.9754 -149349.5856 299.0786 -183595.5610 -149251.3409 298.7714 -153.7706 -119.9405 558486.8677 -3.9832 -3.7834 PRESSURE: 4651400 -57.981 133.039 47.4268 133.038 -133.136 -2.04206 47.426 -2.04175 24.4704 GPRESSURE: 4651400 -16.9685 58.8165 92.2538 208.413 -120.033 59.227 42.0195 -43.778 63.9981 PRESSAVG: 4651400 -24.9604 12.6069 30.4183 12.607 -0.475574 -6.3667 30.4184 -6.36667 7.93475 GPRESSAVG: 4651400 -23.9673 13.4517 28.5426 12.8363 -0.487667 -6.18736 29.7376 -6.76745 7.01312 TIMING: 4651400 CPU: 13464.4, 0.00289473/step Wall: 13464.4, 0.00289473/step, 0.280306 hours remaining, 211.761719 MB of memory in use. ENERGY: 4651400 668.4139 2064.4285 1936.3689 112.8049 -206037.8667 17668.7873 0.0000 0.0000 34408.4786 -149178.5846 300.4978 -183587.0632 -149081.7419 299.4052 -55.5488 -24.3344 558853.0584 -5.8337 -5.8139 PRESSURE: 4651600 -158.03 5.457 -165.851 5.45672 105.711 90.3892 -165.852 90.3911 -59.7093 GPRESSURE: 4651600 -167.497 -18.1682 -176.778 114.316 117.967 46.7836 -234.396 55.3238 37.7847 PRESSAVG: 4651600 -22.2776 30.4814 -6.71368 30.4814 -48.3962 39.0993 -6.71358 39.0994 26.3206 GPRESSAVG: 4651600 -23.2808 31.462 -2.69016 28.0119 -49.0562 38.4382 -6.77509 40.3238 27.4331 TIMING: 4651600 CPU: 13465, 0.00294164/step Wall: 13465, 0.00294164/step, 0.284685 hours remaining, 211.761719 MB of memory in use. ENERGY: 4651600 742.2823 2146.6736 1900.0182 97.0990 -205974.8454 17721.5455 0.0000 0.0000 34074.4054 -149292.8215 297.5803 -183367.2269 -149186.6992 299.1143 -37.3426 -3.9149 555756.4836 -14.7844 -14.9680 PRESSURE: 4651800 -82.9003 196.288 -194.472 196.289 -60.9025 21.6292 -194.471 21.6305 -113.025 GPRESSURE: 4651800 -132.466 202.092 -183.233 170.443 39.4582 77.1513 -128.869 -91.7897 -65.8343 PRESSAVG: 4651800 -79.5709 -9.88572 6.515 -9.88566 56.2598 38.7658 6.51506 38.7659 7.66351 GPRESSAVG: 4651800 -80.0033 -9.00945 5.38923 -10.052 56.5697 39.7952 6.19048 38.8944 7.33495 TIMING: 4651800 CPU: 13465.5, 0.00292507/step Wall: 13465.5, 0.00292507/step, 0.282919 hours remaining, 211.761719 MB of memory in use. ENERGY: 4651800 723.4685 2150.3202 1920.2433 120.0415 -206258.1449 17747.9923 0.0000 0.0000 34255.8382 -149340.2411 299.1648 -183596.0793 -149254.2129 298.9035 -85.6094 -52.9474 557086.7912 -5.2159 -5.3662 PRESSURE: 4652000 -167.681 -62.0682 -65.1871 -62.068 -102.468 -22.8768 -65.1876 -22.8779 -284.379 GPRESSURE: 4652000 -125.247 -80.4652 -54.4497 -8.84957 -56.5182 -41.5994 -132.633 -77.6888 -254.352 PRESSAVG: 4652000 -14.337 15.6949 -65.5003 15.695 34.3836 -17.8256 -65.5002 -17.8256 -28.9621 GPRESSAVG: 4652000 -14.2495 17.0205 -68.101 16.153 34.5049 -15.8871 -64.3935 -18.6276 -28.9659 TIMING: 4652000 CPU: 13466.1, 0.00291777/step Wall: 13466.1, 0.00291777/step, 0.282051 hours remaining, 211.761719 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: 4652000 763.0538 2071.5742 1939.3707 117.2696 -205871.5588 17484.0124 0.0000 0.0000 34181.6720 -149314.6061 298.5170 -183496.2781 -149226.3519 298.6312 -184.8426 -145.3724 558636.5621 -2.9719 -2.9035 PRESSURE: 4652200 -474.831 -137.157 29.7987 -137.157 -155.685 16.2134 29.7987 16.2141 -85.9844 GPRESSURE: 4652200 -433.659 -176.474 18.8829 -197.03 -131.55 -4.2693 10.8277 -36.3601 -44.5596 PRESSAVG: 4652200 -45.3604 -62.115 13.3446 -62.1149 21.5254 12.4716 13.3446 12.4715 23.6211 GPRESSAVG: 4652200 -44.582 -65.4743 14.6761 -60.5141 21.38 10.1368 11.6489 13.0309 22.6679 TIMING: 4652200 CPU: 13466.7, 0.00291209/step Wall: 13466.7, 0.00291209/step, 0.28134 hours remaining, 211.761719 MB of memory in use. ENERGY: 4652200 780.5276 2085.3253 1970.4402 123.7036 -205979.1211 17693.0114 0.0000 0.0000 34022.6467 -149303.4662 297.1282 -183326.1129 -149209.3316 298.6472 -238.8335 -203.2561 559253.6631 -0.0713 -0.1781 LDB: ============= START OF LOAD BALANCING ============== 13470.1 LDB: ============== END OF LOAD BALANCING =============== 13470.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13470.1 LDB: ============= START OF LOAD BALANCING ============== 13470.4 LDB: Largest compute 4799 load 0.029187 is 24.7% of average load 0.117949 LDB: Average compute 0.001739 is 1.5% of average load 0.117949 LDB: TIME 13470.4 LOAD: AVG 0.117949 MAX 0.179148 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.902 MB LDB: TIME 13470.4 LOAD: AVG 0.117949 MAX 0.179148 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.105 MB LDB: TIME 13470.4 LOAD: AVG 0.117949 MAX 0.179148 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13470.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13470.4 PRESSURE: 4652400 -149.381 54.1567 -68.6382 54.1562 -62.4358 91.3437 -68.6369 91.3439 27.7278 GPRESSURE: 4652400 -88.5311 43.2733 -132.993 137.392 -26.1294 48.8199 -67.0456 77.8347 34.8442 PRESSAVG: 4652400 -17.6135 -2.86224 58.1576 -2.86229 61.6846 -22.8075 58.1577 -22.8075 -62.6501 GPRESSAVG: 4652400 -17.1251 -1.73579 58.3406 -2.24602 61.7296 -23.7704 60.4179 -21.6091 -63.3682 TIMING: 4652400 CPU: 13467.3, 0.00296026/step Wall: 13467.3, 0.00296026/step, 0.28583 hours remaining, 210.433594 MB of memory in use. ENERGY: 4652400 737.7814 2109.6947 1943.4775 113.1485 -206356.3349 17993.2574 0.0000 0.0000 34146.9808 -149311.9946 298.2141 -183458.9753 -149217.6978 299.2833 -61.3628 -26.6054 558489.0742 -6.1930 -6.2546 PRESSURE: 4652600 75.3193 -23.897 -152.783 -23.8976 283.826 42.3357 -152.782 42.3356 163.557 GPRESSURE: 4652600 136.806 -44.7015 -182.398 -23.0383 294.853 -59.083 -160.51 75.894 193.624 PRESSAVG: 4652600 -71.6481 -30.4239 -9.51698 -30.424 76.9171 25.7153 -9.51695 25.7154 -32.6211 GPRESSAVG: 4652600 -72.6679 -31.9614 -10.9756 -32.0512 76.3218 27.0916 -9.88032 23.9896 -31.2423 TIMING: 4652600 CPU: 13467.9, 0.00289371/step Wall: 13467.9, 0.00289371/step, 0.279243 hours remaining, 210.433594 MB of memory in use. ENERGY: 4652600 720.5044 2118.9110 1967.6359 115.3254 -206398.3306 18040.2865 0.0000 0.0000 34259.2829 -149176.3845 299.1948 -183435.6674 -149073.7875 299.1424 174.2343 208.4280 555670.7277 -9.1174 -9.1962 PRESSURE: 4652800 -105.622 -24.5962 -120.236 -24.5977 78.7265 -19.4928 -120.235 -19.4931 73.8875 GPRESSURE: 4652800 -43.9412 -13.4939 -71.0838 -18.62 64.686 -34.0939 -95.0696 -94.3685 114.356 PRESSAVG: 4652800 -52.8191 5.4327 -8.85562 5.43266 26.6044 23.5458 -8.85571 23.5458 -20.1174 GPRESSAVG: 4652800 -52.79 4.60588 -8.4249 5.96275 26.413 23.8447 -10.627 22.7139 -19.7062 TIMING: 4652800 CPU: 13468.5, 0.00288944/step Wall: 13468.5, 0.00288944/step, 0.27867 hours remaining, 210.433594 MB of memory in use. ENERGY: 4652800 771.4124 2109.3957 1938.6681 104.6244 -206452.9432 17912.1434 0.0000 0.0000 34426.6514 -149190.0478 300.6565 -183616.6991 -149093.1320 299.7151 15.6642 45.0336 555802.2718 -15.4440 -15.3611 PRESSURE: 4653000 -241.661 107.858 -43.3008 107.858 34.2832 33.1884 -43.3001 33.1877 81.8296 GPRESSURE: 4653000 -241.308 54.8856 43.5748 157.6 124.17 3.52794 -80.7154 41.5913 93.0786 PRESSAVG: 4653000 20.7967 3.78199 -54.8801 3.782 50.2107 -29.4614 -54.88 -29.4614 -89.3558 GPRESSAVG: 4653000 20.7494 6.49766 -53.1295 2.82263 49.9529 -28.6641 -53.5113 -28.9066 -89.4758 TIMING: 4653000 CPU: 13469, 0.00287758/step Wall: 13469, 0.00287758/step, 0.277366 hours remaining, 210.433594 MB of memory in use. ENERGY: 4653000 713.7929 2066.2664 1958.0305 117.4715 -206112.3266 17861.8736 0.0000 0.0000 34249.9602 -149144.9315 299.1134 -183394.8917 -149048.0234 299.2443 -41.8495 -8.0198 558929.9808 -6.1161 -6.2579 PRESSURE: 4653200 -19.7879 224.988 234.461 224.988 -40.8985 123.669 234.461 123.667 59.1271 GPRESSURE: 4653200 53.0208 217.527 219.819 268.892 -33.0974 194.288 242.575 40.1396 71.8615 PRESSAVG: 4653200 -81.9707 67.1524 -21.998 67.1524 -8.41571 -36.1534 -21.998 -36.1535 32.3606 GPRESSAVG: 4653200 -82.145 64.9299 -22.6635 67.4684 -8.47151 -38.2765 -21.5803 -35.7516 32.1411 TIMING: 4653200 CPU: 13469.6, 0.00290396/step Wall: 13469.6, 0.00290396/step, 0.279748 hours remaining, 210.433594 MB of memory in use. ENERGY: 4653200 729.5291 2147.4825 1964.5093 104.8298 -206098.4183 17727.1911 0.0000 0.0000 34424.3496 -149000.5270 300.6364 -183424.8765 -148901.0997 298.9680 -0.5198 30.5950 556553.3540 -19.3419 -19.4918 PRESSURE: 4653400 -102.61 39.3865 21.5447 39.3873 -281.308 115.178 21.5449 115.178 -82.5876 GPRESSURE: 4653400 -59.737 23.07 97.4322 109.848 -268.836 79.6387 21.6342 197.773 -48.3581 PRESSAVG: 4653400 -69.5348 13.3657 -28.6901 13.3657 47.1064 -12.8861 -28.6901 -12.8861 27.8892 GPRESSAVG: 4653400 -68.928 14.202 -29.1272 12.2978 46.0674 -11.4554 -29.3217 -13.3343 28.0784 TIMING: 4653400 CPU: 13470.2, 0.00289412/step Wall: 13470.2, 0.00289412/step, 0.278639 hours remaining, 210.433594 MB of memory in use. ENERGY: 4653400 723.2418 2189.4114 1945.5427 106.8677 -205599.3619 17470.7478 0.0000 0.0000 34204.0755 -148959.4750 298.7127 -183163.5505 -148854.4829 300.2167 -155.5019 -125.6436 558704.8953 1.8203 1.7392 PRESSURE: 4653600 14.5508 -57.9045 -13.0668 -57.9033 40.2642 -171.24 -13.0677 -171.238 138.682 GPRESSURE: 4653600 74.7076 -87.5719 -73.9998 -105.775 100.313 -57.2932 -37.3896 -287.807 109.458 PRESSAVG: 4653600 -8.10505 -1.35813 17.5539 -1.35808 13.4368 -0.474162 17.5541 -0.473966 -22.5071 GPRESSAVG: 4653600 -7.30571 0.0713713 18.5343 -0.24047 13.5351 -0.337704 17.7373 0.0199316 -23.535 TIMING: 4653600 CPU: 13470.8, 0.00290161/step Wall: 13470.8, 0.00290161/step, 0.2792 hours remaining, 210.433594 MB of memory in use. ENERGY: 4653600 771.2878 2091.7063 1921.0744 108.0445 -205755.6313 17731.0833 0.0000 0.0000 34297.6171 -148834.8180 299.5296 -183132.4351 -148737.0808 299.6604 64.4990 94.8260 557483.6062 -5.7251 -5.7685 PRESSURE: 4653800 -39.5219 74.5269 146.528 74.5282 -21.2914 43.8035 146.528 43.801 34.7358 GPRESSURE: 4653800 16.1506 60.3872 182.126 95.4258 7.75922 -61.9571 121.958 46.9762 36.5665 PRESSAVG: 4653800 -34.9759 -12.3792 -5.45214 -12.3793 31.4435 -46.4679 -5.45209 -46.4678 -38.9636 GPRESSAVG: 4653800 -35.8973 -15.0459 -6.72181 -12.0662 32.1114 -47.2544 -4.99459 -46.1921 -39.0436 TIMING: 4653800 CPU: 13471.4, 0.00291286/step Wall: 13471.4, 0.00291286/step, 0.28012 hours remaining, 210.433594 MB of memory in use. ENERGY: 4653800 732.5631 2076.0958 1967.6830 114.0585 -206124.0374 17840.1441 0.0000 0.0000 34273.0219 -149120.4711 299.3148 -183393.4929 -149019.4775 299.8840 -8.6925 20.1588 555739.7875 -14.1654 -14.2765 PRESSURE: 4654000 78.6115 -137.399 158.423 -137.4 54.0178 153.29 158.422 153.289 -92.8616 GPRESSURE: 4654000 78.1579 -86.5967 235.64 -112.902 83.7583 77.4707 161.412 197.76 -16.024 PRESSAVG: 4654000 55.0176 7.41761 58.684 7.41748 14.473 25.7511 58.6842 25.7511 -50.5504 GPRESSAVG: 4654000 54.3907 8.70534 58.3991 5.3641 14.3904 24.4722 58.7376 27.1442 -49.6298 TIMING: 4654000 CPU: 13471.9, 0.00291282/step Wall: 13471.9, 0.00291282/step, 0.279955 hours remaining, 210.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4654000 737.3109 2071.1140 1918.1725 117.8226 -206377.1767 17874.8089 0.0000 0.0000 34500.0188 -149157.9289 301.2972 -183657.9478 -149063.1409 299.5352 13.2559 48.6307 556395.5405 6.3134 6.3838 PRESSURE: 4654200 -137.162 39.1751 54.5547 39.174 -303.647 -66.9129 54.5543 -66.9145 -169.18 GPRESSURE: 4654200 -181.682 36.3237 43.2603 -29.7988 -244.634 -120.737 73.9517 22.2097 -81.975 PRESSAVG: 4654200 25.4626 56.7612 51.8608 56.7611 11.2674 75.607 51.8608 75.607 -22.1222 GPRESSAVG: 4654200 25.3301 56.8306 52.5603 56.4945 11.2415 76.3637 51.5054 73.8531 -21.8044 TIMING: 4654200 CPU: 13472.5, 0.00288649/step Wall: 13472.5, 0.00288649/step, 0.277263 hours remaining, 210.433594 MB of memory in use. ENERGY: 4654200 763.5576 2062.7025 1940.1017 117.1700 -205902.2137 17403.1687 0.0000 0.0000 34391.8539 -149223.6593 300.3526 -183615.5131 -149126.8211 299.8142 -203.3295 -169.4304 555694.9813 4.8693 4.9224 PRESSURE: 4654400 1.74275 -78.3524 83.437 -78.3522 -68.8418 -44.5514 83.4367 -44.5522 -116.219 GPRESSURE: 4654400 1.77216 -60.7271 143.142 -150.888 3.79152 85.9331 20.8849 -170.475 -79.3758 PRESSAVG: 4654400 28.0077 7.4712 6.98347 7.47112 -7.62653 4.17114 6.98345 4.17115 14.2576 GPRESSAVG: 4654400 29.3939 9.04586 7.09113 6.79774 -8.95507 5.76254 5.16424 2.65202 13.9075 TIMING: 4654400 CPU: 13473.1, 0.0028933/step Wall: 13473.1, 0.0028933/step, 0.277757 hours remaining, 210.433594 MB of memory in use. ENERGY: 4654400 742.2359 2146.2122 1941.0409 122.5766 -205818.9219 17598.0085 0.0000 0.0000 34090.6523 -149178.1957 297.7221 -183268.8480 -149091.2122 299.6211 -61.1060 -24.6040 556386.8782 11.5463 11.4488 PRESSURE: 4654600 164.394 -78.2501 49.8055 -78.25 -179.365 -197.307 49.8054 -197.306 96.7032 GPRESSURE: 4654600 204.076 -37.7336 -115.505 -158.757 -114.945 -204.243 200.205 -202.924 106.829 PRESSAVG: 4654600 -8.7314 -25.3024 -2.42779 -25.3024 -20.4608 7.43522 -2.42785 7.43518 39.7186 GPRESSAVG: 4654600 -9.21663 -26.7655 -5.4149 -24.0687 -19.8371 6.48233 0.946961 9.08885 39.7478 TIMING: 4654600 CPU: 13473.7, 0.00288687/step Wall: 13473.7, 0.00288687/step, 0.276979 hours remaining, 210.433594 MB of memory in use. ENERGY: 4654600 728.0027 2069.6810 1926.9040 119.0832 -205909.3732 17662.0454 0.0000 0.0000 34276.4519 -149127.2049 299.3448 -183403.6568 -149034.8557 299.4290 27.2439 65.3199 557421.4192 3.5088 3.5647 PRESSURE: 4654800 344.196 -51.8228 114.056 -51.823 83.2206 21.6946 114.056 21.694 202.963 GPRESSURE: 4654800 337.994 -78.7572 57.0801 -63.2546 163.717 112.532 138.574 -77.3456 227.589 PRESSAVG: 4654800 18.0128 -3.85518 77.7793 -3.85517 -22.121 -26.6586 77.7794 -26.6587 39.4664 GPRESSAVG: 4654800 18.5632 -3.013 81.0482 -6.23938 -21.6198 -27.0355 76.666 -27.7048 38.7297 TIMING: 4654800 CPU: 13474.3, 0.00294311/step Wall: 13474.3, 0.00294311/step, 0.282212 hours remaining, 210.433594 MB of memory in use. ENERGY: 4654800 772.6089 2086.0711 1949.0369 110.5205 -206339.8693 17972.7952 0.0000 0.0000 34379.6988 -149069.1379 300.2465 -183448.8367 -148964.2936 299.3724 210.1265 243.0998 554845.7826 11.7860 11.8910 PRESSURE: 4655000 130.878 13.0728 -1.66724 13.0732 -85.2455 -5.81398 -1.66582 -5.8143 12.6233 GPRESSURE: 4655000 100.828 -64.2531 11.6571 150.308 -45.2695 -42.524 -142.265 66.9131 89.6718 PRESSAVG: 4655000 -46.7444 -21.0107 33.8117 -21.0106 32.3649 2.525 33.8117 2.52509 -50.4747 GPRESSAVG: 4655000 -48.6535 -22.8005 33.6119 -17.2478 33.8355 4.46059 33.0061 2.36402 -50.4216 TIMING: 4655000 CPU: 13474.8, 0.00290017/step Wall: 13474.8, 0.00290017/step, 0.277933 hours remaining, 210.433594 MB of memory in use. ENERGY: 4655000 726.8788 2116.9786 1943.1485 112.2160 -205773.6480 17583.4220 0.0000 0.0000 34213.5449 -149077.4593 298.7954 -183291.0041 -148983.6885 299.7306 19.4185 48.4100 555954.4571 -21.6181 -21.7465 PRESSURE: 4655200 47.1496 34.5261 -86.4103 34.5272 -42.3049 79.1582 -86.4112 79.1588 232.818 GPRESSURE: 4655200 81.4687 95.825 -108.635 -6.22946 25.5806 23.7779 -70.348 129.419 234.393 PRESSAVG: 4655200 5.09082 -21.9974 -19.0602 -21.9974 30.3585 -49.3316 -19.0602 -49.3316 2.1547 GPRESSAVG: 4655200 6.57575 -20.2852 -17.7701 -24.8121 29.1036 -50.361 -20.1731 -49.2929 2.14018 TIMING: 4655200 CPU: 13475.4, 0.00287816/step Wall: 13475.4, 0.00287816/step, 0.275664 hours remaining, 210.433594 MB of memory in use. ENERGY: 4655200 761.0076 2087.6321 1962.8889 119.1405 -206308.7611 17957.8828 0.0000 0.0000 34279.9447 -149140.2645 299.3753 -183420.2092 -149039.3145 299.3784 79.2210 113.8140 556681.1426 12.5347 12.6065 PRESSURE: 4655400 125.697 -104.795 9.03381 -104.796 61.7511 6.42134 9.03271 6.42206 4.81226 GPRESSURE: 4655400 89.3604 -61.2247 -18.4665 -111.811 173.784 7.45757 6.65816 32.6558 24.2409 PRESSAVG: 4655400 -108.38 -29.3638 51.7799 -29.3638 57.238 44.1734 51.7797 44.1734 45.3546 GPRESSAVG: 4655400 -108.503 -28.6977 50.5851 -27.9305 57.2394 44.3335 52.2667 44.3469 45.6183 TIMING: 4655400 CPU: 13476, 0.00288193/step Wall: 13476, 0.00288193/step, 0.275865 hours remaining, 210.433594 MB of memory in use. ENERGY: 4655400 737.0523 2124.8760 1924.9071 113.1782 -206276.2523 17838.5271 0.0000 0.0000 34374.7211 -149162.9903 300.2030 -183537.7115 -149063.7474 299.0786 64.0868 95.7951 556091.7478 -1.9292 -1.8817 PRESSURE: 4655600 -299.969 -121.325 -60.3614 -121.325 -146.331 -112.175 -60.3618 -112.175 -204.952 GPRESSURE: 4655600 -200.523 -124.709 4.45827 -116.596 -154.303 -51.348 -96.1156 -164.102 -189.575 PRESSAVG: 4655600 14.334 14.4766 -51.4368 14.4765 20.8887 26.4902 -51.4367 26.4902 19.8872 GPRESSAVG: 4655600 14.6407 14.3417 -51.9906 12.9272 21.2273 26.1365 -48.8364 26.3494 19.6034 TIMING: 4655600 CPU: 13476.6, 0.00291285/step Wall: 13476.6, 0.00291285/step, 0.278663 hours remaining, 210.433594 MB of memory in use. ENERGY: 4655600 754.2234 2134.5223 1926.2749 107.0692 -205870.9427 17489.0319 0.0000 0.0000 34323.2082 -149136.6128 299.7531 -183459.8209 -149043.4733 299.8100 -217.0842 -181.4672 557619.6217 18.3700 18.4905 PRESSURE: 4655800 -139.977 -74.6781 -42.6801 -74.6787 -170.917 278.995 -42.6814 278.994 231.795 GPRESSURE: 4655800 -53.7836 -63.9768 -1.10596 -128.996 -174.073 307.334 -20.6586 189.757 249.511 PRESSAVG: 4655800 -72.2034 -7.24817 -45.548 -7.24808 75.7219 55.8237 -45.548 55.8236 20.0702 GPRESSAVG: 4655800 -73.7201 -8.79063 -44.1572 -4.26551 77.1763 55.3975 -48.3503 54.2265 19.9587 TIMING: 4655800 CPU: 13477.2, 0.00290876/step Wall: 13477.2, 0.00290877/step, 0.27811 hours remaining, 210.433594 MB of memory in use. ENERGY: 4655800 770.0688 2092.0034 1911.2545 110.6321 -206208.0637 17776.1484 0.0000 0.0000 34309.4807 -149238.4759 299.6332 -183547.9566 -149135.1362 299.7384 -26.3667 7.2183 557794.1379 7.8629 7.8050 PRESSURE: 4656000 20.5433 95.2342 -1.98434 95.2353 14.0679 135.139 -1.98505 135.138 17.7819 GPRESSURE: 4656000 34.984 0.304226 17.9867 119.027 63.9552 135.834 10.5915 167.751 50.5239 PRESSAVG: 4656000 -17.2583 -6.702 -4.41858 -6.702 36.9883 30.829 -4.41851 30.829 15.1475 GPRESSAVG: 4656000 -15.5912 -7.29407 -3.94032 -6.50777 35.7319 32.3436 -2.55432 33.8229 14.3981 TIMING: 4656000 CPU: 13477.7, 0.00287861/step Wall: 13477.7, 0.00287861/step, 0.275067 hours remaining, 210.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4656000 744.4249 2114.5620 1940.1755 114.9907 -206247.2274 17900.3556 0.0000 0.0000 34215.7921 -149216.9266 298.8150 -183432.7187 -149117.0516 298.9473 17.4643 49.8211 558420.1193 11.6258 11.5129 PRESSURE: 4656200 144.122 167.286 -42.4667 167.285 -95.34 -106.379 -42.4657 -106.379 -108.514 GPRESSURE: 4656200 146.392 148.683 -32.8175 253.003 -53.3644 -88.7737 -87.0424 -48.0121 -51.5334 PRESSAVG: 4656200 10.6866 24.4086 19.3814 24.4086 -39.2286 -11.6135 19.3814 -11.6134 36.4916 GPRESSAVG: 4656200 9.03129 25.7111 19.5056 23.2185 -39.1871 -10.8262 17.1506 -12.6271 38.2213 TIMING: 4656200 CPU: 13478.3, 0.00288676/step Wall: 13478.3, 0.00288676/step, 0.275686 hours remaining, 210.433594 MB of memory in use. ENERGY: 4656200 740.1349 2079.5230 1937.1154 115.8309 -205821.8567 17632.5999 0.0000 0.0000 34307.1854 -149009.4672 299.6132 -183316.6526 -148909.6619 299.1128 -19.9107 13.8315 557732.8326 2.6498 2.6885 LDB: ============= START OF LOAD BALANCING ============== 13481.7 LDB: ============== END OF LOAD BALANCING =============== 13481.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13481.7 LDB: ============= START OF LOAD BALANCING ============== 13482 LDB: Largest compute 4799 load 0.028804 is 24.4% of average load 0.117964 LDB: Average compute 0.001739 is 1.5% of average load 0.117964 LDB: TIME 13482 LOAD: AVG 0.117964 MAX 0.178499 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.141 MB LDB: TIME 13482 LOAD: AVG 0.117964 MAX 0.178499 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.344 MB LDB: TIME 13482 LOAD: AVG 0.117964 MAX 0.178499 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13482 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13482 PRESSURE: 4656400 -203.651 -39.6111 116.112 -39.6118 180.062 48.881 116.112 48.8807 -62.0747 GPRESSURE: 4656400 -147.834 21.5901 48.2192 -93.1416 181.541 -59.3089 111.35 134.387 -15.1039 PRESSAVG: 4656400 5.00028 38.8522 -8.294 38.8522 22.1268 8.81809 -8.29406 8.81819 18.5594 GPRESSAVG: 4656400 5.7344 38.4771 -10.2473 37.8119 20.3049 8.21065 -5.54301 7.5872 19.3504 TIMING: 4656400 CPU: 13478.9, 0.00295967/step Wall: 13478.9, 0.00295967/step, 0.282484 hours remaining, 209.859375 MB of memory in use. ENERGY: 4656400 752.3539 2128.6333 1935.8888 110.0775 -205954.8995 17729.8631 0.0000 0.0000 34466.1488 -148831.9341 301.0014 -183298.0829 -148724.9780 300.6537 -28.5547 6.2010 556418.8956 15.2288 15.1299 PRESSURE: 4656600 -171.037 -108.8 -2.8241 -108.8 -225.185 -100.624 -2.82391 -100.625 -177.979 GPRESSURE: 4656600 -138.7 -149.153 -53.8804 -159.659 -198.074 -75.5112 -44.2726 -31.5656 -146.078 PRESSAVG: 4656600 -0.227197 -73.2684 -9.15367 -73.2683 -22.419 -62.5675 -9.15354 -62.5675 74.391 GPRESSAVG: 4656600 -1.1799 -72.9736 -8.25974 -75.4683 -20.2454 -62.3468 -9.84344 -60.7356 73.3529 TIMING: 4656600 CPU: 13479.5, 0.0028915/step Wall: 13479.5, 0.0028915/step, 0.275817 hours remaining, 209.859375 MB of memory in use. ENERGY: 4656600 761.5252 2098.8997 1941.2169 114.5725 -205159.7189 17234.6651 0.0000 0.0000 34203.0115 -148805.8280 298.7034 -183008.8395 -148709.8511 300.8147 -191.4005 -160.9506 557433.5597 17.2483 17.3092 PRESSURE: 4656800 185.091 109.125 -60.0163 109.126 -351.425 -65.4493 -60.0164 -65.45 132.106 GPRESSURE: 4656800 210.392 207.035 -12.6876 49.6426 -298.553 -84.0568 -113.958 -66.1561 142.546 PRESSAVG: 4656800 3.2692 -31.9131 -32.3337 -31.9131 -48.9224 14.1854 -32.3337 14.1855 28.9504 GPRESSAVG: 4656800 3.07651 -33.4038 -33.1004 -28.9063 -50.7699 14.0855 -32.3382 12.5597 30.1311 TIMING: 4656800 CPU: 13480.1, 0.00288067/step Wall: 13480.1, 0.00288067/step, 0.274624 hours remaining, 209.859375 MB of memory in use. ENERGY: 4656800 749.5708 2068.4857 1947.5786 120.1233 -206006.5278 17709.2705 0.0000 0.0000 34644.9600 -148766.5389 302.5631 -183411.4989 -148676.6545 301.2557 -11.4096 18.1282 557949.9035 -5.5676 -5.8541 PRESSURE: 4657000 52.4138 -99.5932 -57.5249 -99.5916 -116.075 30.5521 -57.5241 30.5509 -81.3277 GPRESSURE: 4657000 73.4574 -15.1102 -140.448 -83.9631 -109.548 85.3536 8.34592 40.0286 -8.37912 PRESSAVG: 4657000 7.8456 -15.6259 -26.7298 -15.6259 -5.49635 18.9381 -26.7299 18.9381 -1.99026 GPRESSAVG: 4657000 7.10244 -15.5576 -25.8716 -15.0044 -4.47236 18.5063 -26.9803 19.8605 -2.46901 TIMING: 4657000 CPU: 13480.6, 0.00289745/step Wall: 13480.6, 0.00289745/step, 0.276062 hours remaining, 209.859375 MB of memory in use. ENERGY: 4657000 736.6579 2153.1291 1934.1584 121.0743 -205999.2702 17827.8053 0.0000 0.0000 34252.5540 -148973.8912 299.1361 -183226.4453 -148879.2963 300.9442 -48.3296 -14.8233 558154.9236 0.1197 0.0537 PRESSURE: 4657200 -173.076 121.227 -64.0551 121.228 -130.147 -87.6002 -64.0553 -87.6015 -58.4484 GPRESSURE: 4657200 -115.411 79.3332 42.2388 6.92538 -115.165 -32.3487 -104.953 -85.5132 -28.4265 PRESSAVG: 4657200 9.43448 -5.31701 11.0569 -5.31697 0.966436 18.4762 11.0569 18.4761 -31.6709 GPRESSAVG: 4657200 8.58487 -3.36901 12.6578 -7.41696 0.891302 17.9009 10.1494 17.3485 -30.7531 TIMING: 4657200 CPU: 13481.2, 0.00290367/step Wall: 13481.2, 0.00290367/step, 0.276493 hours remaining, 209.859375 MB of memory in use. ENERGY: 4657200 785.4802 2106.4543 1948.4557 110.3275 -205868.8258 17660.8646 0.0000 0.0000 34377.6331 -148879.6104 300.2284 -183257.2435 -148780.5500 300.3081 -120.5570 -86.3342 556896.6755 -7.0900 -7.0923 PRESSURE: 4657400 -64.3983 169.869 41.0749 169.868 -151.934 104.849 41.0739 104.848 41.4831 GPRESSURE: 4657400 -16.6222 193.667 61.3655 202.373 -171.443 125.649 20.8963 86.0455 117.884 PRESSAVG: 4657400 -1.5956 45.5118 42.7042 45.5118 53.8255 -9.28354 42.7042 -9.28351 -1.55744 GPRESSAVG: 4657400 -0.206917 44.9631 42.4949 45.5406 52.0821 -9.4577 41.8515 -5.59615 -1.44582 TIMING: 4657400 CPU: 13481.8, 0.00289248/step Wall: 13481.8, 0.00289248/step, 0.275268 hours remaining, 209.859375 MB of memory in use. ENERGY: 4657400 781.6730 2144.5493 1908.2944 124.4285 -205912.5097 17651.5468 0.0000 0.0000 34351.7741 -148950.2436 300.0026 -183302.0177 -148847.9808 300.2521 -58.2831 -23.3935 557937.3371 16.8908 16.8098 PRESSURE: 4657600 -18.4535 54.7312 12.5729 54.7295 -61.4646 9.39251 12.574 9.39316 -12.8335 GPRESSURE: 4657600 14.7725 48.627 -19.5731 127.243 -44.5407 12.0872 46.1242 -3.29106 20.9533 PRESSAVG: 4657600 -38.662 21.9385 -4.70108 21.9386 13.228 34.6366 -4.70109 34.6366 24.524 GPRESSAVG: 4657600 -39.3918 19.4455 -4.85241 21.7667 15.2084 34.6669 -4.10637 32.8103 23.4975 TIMING: 4657600 CPU: 13482.4, 0.00287912/step Wall: 13482.4, 0.00287912/step, 0.273836 hours remaining, 209.859375 MB of memory in use. ENERGY: 4657600 742.3178 2046.0003 1945.6255 115.3945 -206151.4407 17795.4368 0.0000 0.0000 34393.0275 -149113.6382 300.3629 -183506.6658 -149013.3044 299.5700 -30.9172 -2.9383 557844.6705 -0.3034 -0.2286 PRESSURE: 4657800 -506.997 -23.4101 -78.169 -23.4094 46.5475 -24.2678 -78.1686 -24.267 -19.8672 GPRESSURE: 4657800 -413.094 -47.2898 -140.927 -33.8076 115.745 -85.3623 -63.1102 7.42492 -86.9848 PRESSAVG: 4657800 9.76126 20.6932 32.0854 20.6933 0.868337 67.6375 32.0855 67.6375 -3.00922 GPRESSAVG: 4657800 10.9771 23.8803 33.4197 20.9575 0.845449 67.9903 31.4082 66.5179 -3.78591 TIMING: 4657800 CPU: 13483, 0.00288508/step Wall: 13483, 0.00288508/step, 0.274243 hours remaining, 209.859375 MB of memory in use. ENERGY: 4657800 741.3872 2152.5883 1951.2048 115.1788 -205906.5938 17616.4368 0.0000 0.0000 34324.4055 -149005.3923 299.7636 -183329.7978 -148906.9620 299.1387 -160.1056 -128.1112 559007.7412 2.5401 2.6789 PRESSURE: 4658000 -149.998 30.654 135.963 30.6538 -141.221 34.659 135.962 34.6598 2.79987 GPRESSURE: 4658000 -109.431 1.79412 126.774 -44.1995 -108.92 72.7896 152.971 51.0099 16.4811 PRESSAVG: 4658000 -8.14829 2.43718 -78.5779 2.43712 49.4874 76.8058 -78.5779 76.8059 -27.5372 GPRESSAVG: 4658000 -6.69695 0.644066 -82.6815 2.27926 48.1774 75.9257 -77.4745 77.9517 -26.8342 TIMING: 4658000 CPU: 13483.5, 0.00290671/step Wall: 13483.5, 0.00290671/step, 0.276138 hours remaining, 209.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4658000 767.9453 2158.5098 1934.7536 118.1704 -205756.2179 17645.9647 0.0000 0.0000 34328.8051 -148802.0690 299.8020 -183130.8741 -148704.4441 300.2888 -96.1397 -67.2899 559292.5841 4.6007 4.8821 PRESSURE: 4658200 26.0679 230.077 -103.532 230.078 -412.427 78.4553 -103.533 78.4547 103.027 GPRESSURE: 4658200 47.7258 233.618 -96.7635 266.112 -369.242 133.052 -59.6165 49.066 158.937 PRESSAVG: 4658200 70.6956 -32.8532 -64.8772 -32.8533 -70.8286 38.5078 -64.8772 38.5079 43.4434 GPRESSAVG: 4658200 68.6555 -33.7025 -63.5651 -31.2091 -70.3964 38.8291 -64.1292 38.1138 45.7136 TIMING: 4658200 CPU: 13484.1, 0.00290216/step Wall: 13484.1, 0.00290216/step, 0.275544 hours remaining, 209.859375 MB of memory in use. ENERGY: 4658200 763.5065 2149.7766 1934.5550 99.3063 -205969.4515 17625.7351 0.0000 0.0000 34436.3814 -148960.1905 300.7415 -183396.5719 -148863.8674 300.3908 -94.4442 -54.1933 556747.9909 14.4368 14.6576 PRESSURE: 4658400 50.2967 -46.3022 19.3182 -46.3023 -97.2019 -136.625 19.3189 -136.625 49.007 GPRESSURE: 4658400 80.1325 -47.6096 24.7589 -61.7255 -58.0997 -176.193 57.8453 -141.261 70.3586 PRESSAVG: 4658400 -5.01251 47.2504 -64.2962 47.2503 -24.4499 -39.6546 -64.2961 -39.6546 10.9038 GPRESSAVG: 4658400 -4.01229 50.7733 -62.5243 45.7896 -23.1343 -41.0491 -65.5713 -39.0116 9.13335 TIMING: 4658400 CPU: 13484.7, 0.00289072/step Wall: 13484.7, 0.00289072/step, 0.274298 hours remaining, 209.859375 MB of memory in use. ENERGY: 4658400 755.8407 2123.3616 1947.1864 109.9145 -206315.7130 17870.2986 0.0000 0.0000 34505.4650 -149003.6462 301.3448 -183509.1112 -148904.6562 299.9508 0.7006 30.7971 557064.6448 -6.1862 -6.0044 PRESSURE: 4658600 -242.898 52.3513 -171.765 52.3502 106.532 76.0062 -171.765 76.0053 -165.178 GPRESSURE: 4658600 -242.15 -36.5314 -198.807 169.709 133.741 48.1908 -97.8615 122.761 -89.1897 PRESSAVG: 4658600 -16.1682 11.1645 -54.2058 11.1645 49.7995 -0.795156 -54.2058 -0.79502 -48.2344 GPRESSAVG: 4658600 -15.1921 7.72622 -53.5888 12.4575 48.9759 0.910007 -52.7276 -1.80243 -48.5653 TIMING: 4658600 CPU: 13485.3, 0.00290062/step Wall: 13485.3, 0.00290062/step, 0.275075 hours remaining, 209.859375 MB of memory in use. ENERGY: 4658600 742.1736 2136.1358 1949.4942 109.3713 -205885.7905 17608.8214 0.0000 0.0000 34315.7421 -149024.0520 299.6879 -183339.7942 -148924.5747 300.4522 -100.5148 -65.8663 557364.9965 -4.8677 -4.9272 PRESSURE: 4658800 -51.3494 129.922 103.123 129.922 -452.281 -179.455 103.123 -179.457 -271.882 GPRESSURE: 4658800 -75.1293 155.399 50.3186 129.033 -367.142 -111.689 61.9979 -188.167 -220.256 PRESSAVG: 4658800 3.86528 -1.22827 19.5382 -1.22818 44.4079 -24.3863 19.5381 -24.3863 -28.041 GPRESSAVG: 4658800 2.63898 -0.663517 19.7371 -0.142575 44.2109 -25.0065 18.3516 -22.8075 -26.5275 TIMING: 4658800 CPU: 13485.8, 0.00288398/step Wall: 13485.8, 0.00288398/step, 0.273338 hours remaining, 209.859375 MB of memory in use. ENERGY: 4658800 754.8074 2128.3448 1958.8361 114.2731 -205727.2071 17468.4521 0.0000 0.0000 34211.3878 -149091.1058 298.7766 -183302.4936 -148989.5556 300.1794 -258.5039 -220.8424 559317.8786 6.7441 6.7741 PRESSURE: 4659000 -173.433 48.1744 48.399 48.1747 -106.366 -111.62 48.3989 -111.62 -407.107 GPRESSURE: 4659000 -105.528 -14.0125 30.6037 -21.829 -41.698 -84.9467 112.849 -45.4106 -433.307 PRESSAVG: 4659000 -77.4104 28.1017 62.6829 28.1018 15.1565 -16.361 62.683 -16.3609 47.2709 GPRESSAVG: 4659000 -77.3521 27.8709 60.2306 25.9459 15.0106 -15.54 65.2971 -15.3652 46.7041 TIMING: 4659000 CPU: 13486.4, 0.00289253/step Wall: 13486.4, 0.00289253/step, 0.273987 hours remaining, 209.859375 MB of memory in use. ENERGY: 4659000 794.8145 2031.0880 1943.1463 113.1634 -206118.0576 17655.5256 0.0000 0.0000 34293.2242 -149287.0957 299.4913 -183580.3199 -149193.6192 299.1269 -228.9687 -193.5109 559287.6929 -4.9943 -5.2125 PRESSURE: 4659200 -205.921 159.903 -1.36756 159.902 -33.1135 -134.975 -1.36662 -134.975 -34.3789 GPRESSURE: 4659200 -157.009 124.231 -0.963955 193.888 35.368 -136.826 -11.8243 -132.577 -38.0699 PRESSAVG: 4659200 6.56816 2.80847 -14.5117 2.80841 64.3309 46.3499 -14.5117 46.3499 -20.152 GPRESSAVG: 4659200 6.79489 2.68833 -13.7151 2.36083 64.4749 47.2671 -15.4241 43.9146 -20.4055 TIMING: 4659200 CPU: 13487, 0.00287751/step Wall: 13487, 0.00287751/step, 0.272404 hours remaining, 210.062500 MB of memory in use. ENERGY: 4659200 742.3027 2109.5491 1918.1870 119.1962 -206451.9248 17957.3504 0.0000 0.0000 34270.4069 -149334.9323 299.2920 -183605.3392 -149236.6301 298.9561 -91.1377 -53.2369 558408.2045 16.9157 16.9548 PRESSURE: 4659400 99.6455 37.9053 -0.809904 37.9036 37.7548 128.85 -0.810869 128.85 22.3891 GPRESSURE: 4659400 119.218 56.8674 8.38492 63.9688 61.9356 112.849 -34.5689 136.113 72.8324 PRESSAVG: 4659400 -60.1422 13.3537 -50.784 13.3538 35.8596 34.6275 -50.7839 34.6276 14.815 GPRESSAVG: 4659400 -60.5979 14.2065 -50.6619 15.6512 35.9099 35.1011 -51.9397 34.5419 15.9647 TIMING: 4659400 CPU: 13487.6, 0.00288864/step Wall: 13487.6, 0.00288864/step, 0.273298 hours remaining, 210.062500 MB of memory in use. ENERGY: 4659400 739.8749 2119.4382 1931.9459 107.4675 -206211.0775 17829.5546 0.0000 0.0000 34363.2338 -149119.5627 300.1027 -183482.7965 -149022.9983 298.9520 53.2631 84.6621 556767.2270 -3.1559 -2.9078 PRESSURE: 4659600 331.561 -139.148 -22.9789 -139.147 -107.271 -69.96 -22.9783 -69.9582 51.94 GPRESSURE: 4659600 369.991 -101.297 -133.799 -191.201 -59.6856 -93.863 99.8789 32.9714 59.8497 PRESSAVG: 4659600 28.9231 -35.0903 -13.0266 -35.0902 -20.0832 -14.3793 -13.0266 -14.3793 -16.6563 GPRESSAVG: 4659600 30.2599 -35.0335 -12.784 -36.2257 -21.6221 -16.2432 -13.9177 -14.0862 -16.5437 TIMING: 4659600 CPU: 13488.2, 0.00288928/step Wall: 13488.2, 0.00288928/step, 0.273197 hours remaining, 210.062500 MB of memory in use. ENERGY: 4659600 731.6114 2104.1940 1977.2834 130.8902 -206468.8277 17974.6409 0.0000 0.0000 34265.0627 -149285.1450 299.2453 -183550.2078 -149188.2770 299.3879 92.0764 123.3850 557129.7748 -2.6054 -2.6353 PRESSURE: 4659800 -263.083 60.2255 106.733 60.224 -137.978 91.0768 106.733 91.0772 -96.2456 GPRESSURE: 4659800 -205.344 88.809 61.452 75.9431 -100.017 66.5332 86.7085 72.273 -96.3517 PRESSAVG: 4659800 -9.40266 -3.52536 -61.9939 -3.52536 -62.1577 64.9651 -61.9939 64.9652 68.1719 GPRESSAVG: 4659800 -9.93271 -4.16766 -61.6359 -3.54699 -61.4828 64.9791 -61.1366 66.3255 67.6651 TIMING: 4659800 CPU: 13488.7, 0.0028898/step Wall: 13488.7, 0.0028898/step, 0.273086 hours remaining, 210.062500 MB of memory in use. ENERGY: 4659800 783.4332 2120.3895 1936.7824 115.7805 -206118.4886 17632.9569 0.0000 0.0000 34305.7420 -149223.4043 299.6006 -183529.1462 -149125.2867 299.7408 -165.7688 -133.9041 558640.2069 -1.1295 -1.2501 PRESSURE: 4660000 -129.534 165.577 42.9895 165.578 80.2407 35.9429 42.9891 35.9443 -56.4888 GPRESSURE: 4660000 -103.298 130.765 44.2904 118.481 177.476 77.7844 68.7214 45.0984 -76.6873 PRESSAVG: 4660000 1.34673 -11.5772 -61.0151 -11.5772 4.63983 69.5179 -61.015 69.518 -5.00303 GPRESSAVG: 4660000 1.34357 -8.16375 -62.1142 -13.3251 4.64679 69.6492 -59.9871 68.8622 -5.48849 TIMING: 4660000 CPU: 13489.3, 0.00288674/step Wall: 13489.3, 0.00288674/step, 0.272636 hours remaining, 210.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4660000 775.8427 2062.9950 1934.5385 111.9383 -205745.8283 17519.3016 0.0000 0.0000 34260.9804 -149080.2318 299.2097 -183341.2122 -148979.7568 299.1845 -35.2606 -0.8365 557373.4250 0.3278 0.1673 PRESSURE: 4660200 82.3291 -72.0963 81.0184 -72.0953 -120.881 118.583 81.0184 118.582 168.656 GPRESSURE: 4660200 100.566 -80.6054 67.3467 -79.0505 -115.07 106.566 136.965 192.803 236.717 PRESSAVG: 4660200 -10.624 -42.9301 22.0036 -42.93 36.274 25.0661 22.0035 25.0661 -45.113 GPRESSAVG: 4660200 -10.9404 -45.1584 22.5 -40.5645 35.3408 26.3274 20.9578 22.1839 -44.7162 TIMING: 4660200 CPU: 13489.9, 0.00288322/step Wall: 13489.9, 0.00288322/step, 0.272143 hours remaining, 210.062500 MB of memory in use. ENERGY: 4660200 716.1925 2070.9843 1962.7060 105.0903 -206374.9549 17911.0344 0.0000 0.0000 34498.3455 -149110.6019 301.2826 -183608.9474 -149018.6860 299.7183 43.3679 74.0710 558061.4418 -6.4877 -6.7719 LDB: ============= START OF LOAD BALANCING ============== 13493.3 LDB: ============== END OF LOAD BALANCING =============== 13493.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13493.3 LDB: ============= START OF LOAD BALANCING ============== 13493.6 LDB: Largest compute 4773 load 0.028295 is 24.0% of average load 0.118093 LDB: Average compute 0.001734 is 1.5% of average load 0.118093 LDB: TIME 13493.6 LOAD: AVG 0.118093 MAX 0.180187 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.422 MB LDB: TIME 13493.6 LOAD: AVG 0.118093 MAX 0.180187 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.625 MB LDB: TIME 13493.6 LOAD: AVG 0.118093 MAX 0.180187 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.625 MB LDB: ============== END OF LOAD BALANCING =============== 13493.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13493.6 PRESSURE: 4660400 -94.9822 -109.476 -69.3865 -109.475 11.332 7.15842 -69.387 7.15908 -69.4856 GPRESSURE: 4660400 -56.3594 -76.3652 -84.1771 -96.3303 -28.6875 -13.4791 -88.5839 -42.0542 33.8778 PRESSAVG: 4660400 -42.8433 -48.7374 -19.0598 -48.7374 134.333 -52.083 -19.0597 -52.083 -40.7094 GPRESSAVG: 4660400 -42.449 -50.8781 -18.5748 -48.4385 134.481 -52.6665 -19.7279 -50.3255 -40.9 TIMING: 4660400 CPU: 13490.5, 0.0029239/step Wall: 13490.5, 0.0029239/step, 0.275822 hours remaining, 212.933594 MB of memory in use. ENERGY: 4660400 757.2596 2095.1024 1927.0639 116.0490 -206040.2171 17714.4255 0.0000 0.0000 34324.3822 -149105.9345 299.7634 -183430.3167 -149003.7076 299.5735 -51.0453 -17.0563 556555.1383 16.9268 17.0441 PRESSURE: 4660600 -210.654 -16.6525 -129.131 -16.6523 -37.5631 112.909 -129.131 112.91 -219.329 GPRESSURE: 4660600 -132.261 -64.1729 -159.489 -0.456655 -26.9594 96.3249 -91.845 91.0718 -212.466 PRESSAVG: 4660600 -39.0622 -37.3862 36.1288 -37.3863 69.4023 -0.928057 36.1289 -0.928076 6.4891 GPRESSAVG: 4660600 -39.7674 -35.9555 34.7325 -38.1752 69.1063 -2.85414 35.9976 1.07275 7.39693 TIMING: 4660600 CPU: 13491.1, 0.00287716/step Wall: 13491.1, 0.00287716/step, 0.271252 hours remaining, 213.132812 MB of memory in use. ENERGY: 4660600 720.9235 2098.8867 1919.9548 111.8285 -205969.0360 17554.5276 0.0000 0.0000 34206.8168 -149356.0979 298.7366 -183562.9147 -149254.7766 299.8793 -155.8485 -123.8956 557058.2578 12.2764 12.2453 PRESSURE: 4660800 37.8005 39.2305 150.184 39.2319 230.385 92.3249 150.185 92.3249 -45.5996 GPRESSURE: 4660800 63.0405 62.3755 211.114 -3.12539 211.915 112.34 135.641 38.0912 35.7187 PRESSAVG: 4660800 -23.6647 -23.1479 5.88441 -23.148 15.2023 17.5075 5.8844 17.5074 -21.5946 GPRESSAVG: 4660800 -22.9651 -23.5126 6.20862 -22.9281 15.6636 19.4985 5.71044 14.7746 -23.1856 TIMING: 4660800 CPU: 13491.6, 0.00287995/step Wall: 13491.6, 0.00287995/step, 0.271355 hours remaining, 213.132812 MB of memory in use. ENERGY: 4660800 744.2407 2082.8519 1946.7210 125.5617 -206600.1457 18073.9767 0.0000 0.0000 34390.9263 -149235.8674 300.3445 -183626.7937 -149135.4857 299.1674 74.1951 103.5582 556213.2301 -10.0190 -10.1624 PRESSURE: 4661000 -22.5742 -117.595 12.4 -117.594 -38.1693 -118.966 12.4004 -118.966 -110.072 GPRESSURE: 4661000 45.4625 -104.373 15.2968 -119.098 0.536132 -157.9 20.4399 -70.5188 -114.723 PRESSAVG: 4661000 57.6066 -5.86533 43.4902 -5.86531 -10.0617 -16.4726 43.4902 -16.4726 -64.2771 GPRESSAVG: 4661000 57.6146 -6.33792 44.3371 -5.25862 -9.86692 -17.1783 44.7195 -16.9387 -64.0858 TIMING: 4661000 CPU: 13492.2, 0.00287697/step Wall: 13492.2, 0.00287697/step, 0.270914 hours remaining, 213.132812 MB of memory in use. ENERGY: 4661000 772.0291 2023.2520 1945.9039 115.5589 -206171.1829 17774.8073 0.0000 0.0000 34359.8206 -149179.8110 300.0729 -183539.6316 -149083.5017 299.6230 -56.9386 -22.9082 557371.9437 -5.5774 -5.4460 PRESSURE: 4661200 16.3259 -159.966 52.7031 -159.967 -149.276 123.955 52.7028 123.954 -101.407 GPRESSURE: 4661200 75.2904 -176.405 47.0344 -189.576 -152.513 163.439 33.8732 69.9147 -53.2636 PRESSAVG: 4661200 -3.83135 31.1305 24.6347 31.1305 -27.784 -13.3348 24.6347 -13.3348 60.8605 GPRESSAVG: 4661200 -3.00998 32.0403 23.4422 29.0099 -28.1856 -12.5896 25.1435 -11.3592 60.7785 TIMING: 4661200 CPU: 13492.8, 0.00289233/step Wall: 13492.8, 0.00289233/step, 0.272201 hours remaining, 213.132812 MB of memory in use. ENERGY: 4661200 741.4011 2115.3169 1925.8983 100.8427 -205967.2996 17549.2113 0.0000 0.0000 34356.9605 -149177.6689 300.0479 -183534.6294 -149082.9567 299.6174 -78.1190 -43.4956 556045.1240 9.7484 9.8610 PRESSURE: 4661400 -34.0524 100.967 -66.8865 100.968 -70.5358 -167.176 -66.887 -167.176 -30.7537 GPRESSURE: 4661400 3.42782 105.65 11.0914 83.4373 -36.8136 -151.825 -94.612 -141.246 -17.0503 PRESSAVG: 4661400 48.8489 24.7136 -7.0167 24.7136 13.6588 -11.6614 -7.01675 -11.6615 -73.5566 GPRESSAVG: 4661400 46.5724 25.1476 -6.58023 26.4538 14.7368 -12.4704 -9.08151 -12.4128 -72.6036 TIMING: 4661400 CPU: 13493.4, 0.00289924/step Wall: 13493.4, 0.00289924/step, 0.27269 hours remaining, 213.132812 MB of memory in use. ENERGY: 4661400 721.8563 2106.5302 1939.5385 115.2883 -206186.9296 17727.7805 0.0000 0.0000 34387.8837 -149188.0521 300.3179 -183575.9358 -149088.7640 299.0528 -45.1140 -16.8120 556980.3556 -3.6829 -3.7648 PRESSURE: 4661600 89.3138 -86.6017 -49.1709 -86.6004 -110.165 95.2405 -49.1712 95.2396 -275.015 GPRESSURE: 4661600 77.0686 -64.9741 -38.7043 -144.825 -32.6271 101.711 -73.1671 111.702 -244.371 PRESSAVG: 4661600 63.2005 -0.0462009 -5.96869 -0.0461529 -102.847 16.582 -5.96863 16.582 4.53936 GPRESSAVG: 4661600 64.6237 0.0341849 -6.20571 -1.49331 -103.2 15.8219 -4.46255 18.7792 3.43802 TIMING: 4661600 CPU: 13493.9, 0.00290056/step Wall: 13493.9, 0.00290056/step, 0.272652 hours remaining, 213.132812 MB of memory in use. ENERGY: 4661600 735.2633 2095.6164 1933.7781 119.4526 -206089.5257 17767.5604 0.0000 0.0000 34234.0207 -149203.8342 298.9742 -183437.8549 -149097.2432 299.2893 -98.6221 -66.6433 557762.4858 -11.7023 -11.7128 PRESSURE: 4661800 -248.671 126.829 -120.255 126.829 20.5031 74.9882 -120.254 74.9894 -46.3458 GPRESSURE: 4661800 -217.564 77.3494 -43.3845 93.4299 20.3636 69.7126 -74.2409 56.6108 5.49927 PRESSAVG: 4661800 -0.65094 -18.9164 -33.0266 -18.9163 8.35585 63.4654 -33.0266 63.4655 -22.3589 GPRESSAVG: 4661800 -0.0857197 -20.288 -31.1263 -17.8493 7.45251 65.0261 -33.8231 62.5663 -22.3609 TIMING: 4661800 CPU: 13494.5, 0.002885/step Wall: 13494.5, 0.002885/step, 0.27103 hours remaining, 213.132812 MB of memory in use. ENERGY: 4661800 741.5238 2083.3359 1923.3554 127.4498 -205875.2122 17590.2578 0.0000 0.0000 34176.6025 -149232.6870 298.4728 -183409.2895 -149130.6657 298.4328 -91.5046 -63.9005 557252.1632 -4.8847 -4.9980 PRESSURE: 4662000 -13.2732 26.128 -69.5788 26.129 3.79254 42.6379 -69.5786 42.638 10.3357 GPRESSURE: 4662000 22.3226 -38.0642 -108.804 17.6674 15.9081 109.259 60.1109 120.764 54.0301 PRESSAVG: 4662000 8.5028 27.3022 -2.65451 27.3022 -20.7076 9.38785 -2.65444 9.38782 14.6965 GPRESSAVG: 4662000 7.61027 28.4097 -5.08021 28.3824 -19.8182 7.35135 -2.27904 9.03247 14.7397 TIMING: 4662000 CPU: 13495.1, 0.00289723/step Wall: 13495.1, 0.00289723/step, 0.272018 hours remaining, 213.132812 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: 4662000 776.0398 2139.6730 1922.7980 109.3821 -206091.9178 17815.2538 0.0000 0.0000 34340.2686 -148988.5026 299.9021 -183328.7712 -148893.7548 299.9767 0.2850 30.7536 557717.4697 0.8306 0.8439 PRESSURE: 4662200 -389.786 -67.7899 -56.6989 -67.791 -28.0324 -36.0265 -56.6997 -36.0256 -16.4575 GPRESSURE: 4662200 -355.629 -79.9082 -67.5994 46.6527 19.4476 58.2894 -21.1946 -177.516 11.3204 PRESSAVG: 4662200 -54.297 -3.49691 -18.858 -3.49689 13.8568 52.7447 -18.8581 52.7446 -0.991891 GPRESSAVG: 4662200 -54.2977 -3.03021 -17.1871 -5.67665 14.5806 54.8295 -19.2167 50.3714 -1.48875 TIMING: 4662200 CPU: 13495.7, 0.00289113/step Wall: 13495.7, 0.00289113/step, 0.271285 hours remaining, 213.132812 MB of memory in use. ENERGY: 4662200 753.5852 2097.3987 1959.2620 121.5804 -206065.0998 17670.3895 0.0000 0.0000 34264.2484 -149198.6355 299.2382 -183462.8839 -149101.6606 299.7268 -144.7585 -108.2870 557578.9420 -13.8107 -13.7353 PRESSURE: 4662400 -350.066 158.177 255.417 158.178 -187.808 -28.1363 255.417 -28.1355 -187.827 GPRESSURE: 4662400 -358.172 117.765 141.125 161.356 -121.025 -76.7392 280.298 32.0781 -161.309 PRESSAVG: 4662400 2.42726 -33.0271 19.3979 -33.0271 44.521 -15.427 19.3979 -15.4272 -41.5498 GPRESSAVG: 4662400 1.29558 -33.6995 17.1603 -32.7603 44.3831 -15.504 19.7704 -15.7657 -40.3823 TIMING: 4662400 CPU: 13496.3, 0.00290136/step Wall: 13496.3, 0.00290136/step, 0.272083 hours remaining, 213.132812 MB of memory in use. ENERGY: 4662400 767.2049 2087.6400 1956.1227 114.1785 -205786.7014 17486.5651 0.0000 0.0000 34337.3055 -149037.6848 299.8762 -183374.9903 -148940.4755 299.4170 -241.9005 -213.5020 557874.0132 1.7995 1.7655 PRESSURE: 4662600 -2.27333 -102.34 -235.933 -102.341 -218.878 151.74 -235.933 151.742 -82.9874 GPRESSURE: 4662600 81.6667 -17.0089 -55.4527 -147.843 -183.362 133.105 -185.957 100.782 -116.355 PRESSAVG: 4662600 14.8975 21.7103 -33.7111 21.7103 -36.5055 -25.7797 -33.711 -25.7798 -13.2635 GPRESSAVG: 4662600 17.202 23.2238 -33.3417 22.1322 -37.8194 -26.9933 -32.9814 -24.6889 -14.2924 TIMING: 4662600 CPU: 13496.8, 0.0029061/step Wall: 13496.8, 0.0029061/step, 0.272366 hours remaining, 213.132812 MB of memory in use. ENERGY: 4662600 755.2857 2148.2404 1937.7424 114.9488 -206248.0880 17799.3112 0.0000 0.0000 34442.3453 -149050.2143 300.7936 -183492.5596 -148953.3565 299.5821 -101.3795 -72.6834 557854.8220 -11.6238 -11.6366 PRESSURE: 4662800 -46.1517 61.9764 -100.198 61.9755 -26.1123 -229.291 -100.199 -229.292 -26.1729 GPRESSURE: 4662800 -65.7756 10.4638 -120.672 106.872 95.8113 -279.011 -132.309 -205.104 -30.0531 PRESSAVG: 4662800 45.8725 -46.2669 -28.8608 -46.267 23.0367 -56.5641 -28.8609 -56.5642 -66.4611 GPRESSAVG: 4662800 43.2938 -48.1417 -26.2335 -46.9849 25.1799 -57.4233 -29.2142 -56.4432 -66.611 TIMING: 4662800 CPU: 13497.4, 0.00290647/step Wall: 13497.4, 0.00290647/step, 0.272239 hours remaining, 213.132812 MB of memory in use. ENERGY: 4662800 748.8454 2053.9664 1936.7659 96.8460 -205833.2725 17660.1485 0.0000 0.0000 34389.5212 -148947.1791 300.3322 -183336.7003 -148845.3628 300.3602 -32.8123 -0.0058 557960.0892 0.8160 0.6209 PRESSURE: 4663000 -241.222 46.9521 52.0411 46.9517 -35.381 100.673 52.0406 100.672 -105.169 GPRESSURE: 4663000 -201.839 67.3806 73.2079 12.0445 13.4892 35.2675 25.753 88.6167 -99.1064 PRESSAVG: 4663000 -17.7635 32.2765 34.6282 32.2764 25.0698 -4.79997 34.6282 -4.80004 -45.443 GPRESSAVG: 4663000 -17.0122 32.4339 34.3455 34.1551 24.0014 -1.85437 35.4721 -5.18206 -45.4458 TIMING: 4663000 CPU: 13498, 0.00287629/step Wall: 13498, 0.00287629/step, 0.269253 hours remaining, 213.132812 MB of memory in use. ENERGY: 4663000 761.4330 2138.4156 1969.9054 111.0771 -205530.8983 17520.9844 0.0000 0.0000 34169.7213 -148859.3614 298.4127 -183029.0828 -148761.7749 299.9194 -127.2574 -95.8188 558252.2222 -12.7122 -12.8189 PRESSURE: 4663200 165.16 -9.7829 -42.2939 -9.78372 124.763 121.54 -42.2922 121.539 -70.3535 GPRESSURE: 4663200 176.906 -66.434 -42.1004 -10.554 172.196 180.253 -66.4954 74.8972 -37.3718 PRESSAVG: 4663200 1.90612 -33.7087 28.8814 -33.7087 27.2616 26.315 28.8815 26.3149 -43.8942 GPRESSAVG: 4663200 2.69592 -34.4587 28.6119 -34.695 26.766 24.7334 27.596 27.1349 -44.3191 TIMING: 4663200 CPU: 13498.6, 0.00290147/step Wall: 13498.6, 0.00290147/step, 0.271449 hours remaining, 213.132812 MB of memory in use. ENERGY: 4663200 739.2452 2114.6819 1942.3414 94.4508 -205747.5051 17785.7647 0.0000 0.0000 34131.6042 -148939.4169 298.0798 -183071.0211 -148853.7437 299.6994 73.1898 103.9101 557989.4297 -4.9088 -4.9524 PRESSURE: 4663400 155.966 56.3483 193.571 56.3485 -33.0621 -96.6989 193.571 -96.699 -282.368 GPRESSURE: 4663400 224.158 89.0464 172.637 47.153 19.8021 -83.3131 180.316 -181.499 -304.805 PRESSAVG: 4663400 -18.263 55.3413 5.44362 55.3413 42.8894 49.5303 5.44364 49.5304 8.74964 GPRESSAVG: 4663400 -18.8068 56.1731 4.44454 55.4644 42.7823 48.2251 6.29913 49.8 8.82376 TIMING: 4663400 CPU: 13499.2, 0.0029146/step Wall: 13499.2, 0.0029146/step, 0.272515 hours remaining, 213.132812 MB of memory in use. ENERGY: 4663400 770.0090 2149.9989 1908.0085 126.6834 -205727.3436 17614.6649 0.0000 0.0000 34291.7378 -148866.2412 299.4783 -183157.9789 -148773.1459 299.9363 -53.1548 -20.2816 556452.8874 11.1253 10.9331 PRESSURE: 4663600 138.148 -29.1096 22.4209 -29.1091 25.6995 -198.695 22.4205 -198.695 34.8427 GPRESSURE: 4663600 182.313 -18.8294 100.72 -49.2312 21.8591 -184.688 -94.4485 -168.428 85.5643 PRESSAVG: 4663600 46.7361 5.93456 -5.74707 5.93448 14.0716 0.0359087 -5.74703 0.0358505 -57.6367 GPRESSAVG: 4663600 46.6128 4.98464 -5.71138 6.91266 13.0736 2.39007 -5.7994 -2.20171 -56.5856 TIMING: 4663600 CPU: 13499.7, 0.00288445/step Wall: 13499.7, 0.00288445/step, 0.269536 hours remaining, 213.132812 MB of memory in use. ENERGY: 4663600 731.4231 2124.8124 1947.1202 105.6676 -206135.4272 17880.5392 0.0000 0.0000 34349.4811 -148996.3838 299.9826 -183345.8649 -148897.5594 300.2602 66.2302 96.5787 557405.5725 1.0570 1.0336 PRESSURE: 4663800 285.959 135.421 39.3008 135.42 162.406 -77.6469 39.3003 -77.6459 91.5924 GPRESSURE: 4663800 279.392 137.309 25.7835 117.221 183.285 -11.7448 34.9162 -97.5569 184.881 PRESSAVG: 4663800 -11.7022 9.41229 24.1866 9.41224 -10.2343 40.1387 24.1866 40.1388 35.3168 GPRESSAVG: 4663800 -11.7773 7.36835 23.4815 9.73785 -9.76686 39.119 24.0395 41.8488 34.9271 TIMING: 4663800 CPU: 13500.3, 0.00287587/step Wall: 13500.3, 0.00287587/step, 0.268574 hours remaining, 213.132812 MB of memory in use. ENERGY: 4663800 760.7687 2125.9267 1947.2127 114.0665 -206310.4189 17999.7397 0.0000 0.0000 34441.2516 -148921.4530 300.7840 -183362.7046 -148833.9487 300.1945 179.9857 215.8529 555505.0533 4.4601 4.4610 PRESSURE: 4664000 91.2252 -125.717 21.4096 -125.716 -34.9663 84.7934 21.4087 84.7933 162.188 GPRESSURE: 4664000 148.052 -55.2091 31.0684 -129.429 24.8367 24.9183 20.6094 161.011 148.632 PRESSAVG: 4664000 39.695 22.2355 -1.98347 22.2355 14.8935 29.3128 -1.98349 29.3128 -66.0772 GPRESSAVG: 4664000 39.377 23.8468 -1.02581 22.7714 14.9477 27.4871 -3.1395 30.492 -66.2052 TIMING: 4664000 CPU: 13500.9, 0.00290735/step Wall: 13500.9, 0.00290735/step, 0.271353 hours remaining, 213.132812 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: 4664000 761.7734 2055.6224 1960.4626 119.0657 -205881.1366 17630.3537 0.0000 0.0000 34307.8259 -149046.0329 299.6188 -183353.8588 -148941.3498 300.6905 72.8157 107.1737 556179.8923 -3.8296 -3.9602 PRESSURE: 4664200 -165.965 -108.175 27.811 -108.174 174.656 -104.465 27.8101 -104.464 -124.508 GPRESSURE: 4664200 -89.8297 -66.8298 93.7757 -67.2663 167.524 -123.506 -36.5769 -78.7183 -90.3201 PRESSAVG: 4664200 -22.1624 -56.5192 50.6152 -56.5193 18.2206 4.87284 50.6151 4.87278 -10.4637 GPRESSAVG: 4664200 -21.5354 -55.7878 52.1165 -55.9793 17.3952 5.59716 51.9601 3.78001 -10.8084 TIMING: 4664200 CPU: 13501.5, 0.00291127/step Wall: 13501.5, 0.00291127/step, 0.271557 hours remaining, 213.132812 MB of memory in use. ENERGY: 4664200 751.5928 2060.5635 1964.3785 117.0668 -206066.8141 17747.9977 0.0000 0.0000 34299.5215 -149125.6933 299.5463 -183425.2148 -149033.4362 299.4190 -38.6058 -4.2085 557993.0550 -4.8019 -4.9829 LDB: ============= START OF LOAD BALANCING ============== 13504.9 LDB: ============== END OF LOAD BALANCING =============== 13504.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13504.9 LDB: ============= START OF LOAD BALANCING ============== 13505.2 LDB: Largest compute 4773 load 0.028051 is 23.8% of average load 0.118055 LDB: Average compute 0.001729 is 1.5% of average load 0.118055 LDB: TIME 13505.2 LOAD: AVG 0.118055 MAX 0.182567 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.262 MB LDB: TIME 13505.2 LOAD: AVG 0.118055 MAX 0.182567 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.262 MB LDB: TIME 13505.2 LOAD: AVG 0.118055 MAX 0.182567 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13505.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13505.2 PRESSURE: 4664400 180.873 33.6722 -64.8948 33.6719 214.845 -76.8308 -64.8933 -76.8315 156.155 GPRESSURE: 4664400 258.621 104.77 -148.777 -112.424 237.846 -25.4423 -24.7967 -10.0772 158.942 PRESSAVG: 4664400 -20.2941 35.9623 18.984 35.9623 15.4498 4.63218 18.984 4.63211 -25.79 GPRESSAVG: 4664400 -19.959 33.4979 16.8236 35.4302 15.0206 3.77023 19.4872 5.63573 -25.8587 TIMING: 4664400 CPU: 13502.1, 0.00297722/step Wall: 13502.1, 0.00297722/step, 0.277543 hours remaining, 211.140625 MB of memory in use. ENERGY: 4664400 721.4751 2116.4212 1967.3069 104.3968 -206510.9929 18071.5070 0.0000 0.0000 34333.2578 -149196.6282 299.8409 -183529.8860 -149101.3026 298.9340 183.9578 218.4698 557145.9210 -10.2115 -10.2657 PRESSURE: 4664600 -167.129 -28.16 18.0693 -28.1598 171.185 -179.195 18.0697 -179.194 -273.136 GPRESSURE: 4664600 -131.632 -58.6231 75.7569 8.01098 197 -158.555 -60.3158 -238.34 -217.863 PRESSAVG: 4664600 6.89492 32.5347 30.4802 32.5348 71.6001 -29.7923 30.4802 -29.7922 -43.9447 GPRESSAVG: 4664600 6.12174 36.0957 31.438 31.8149 72.3239 -29.4884 29.5103 -30.1192 -43.8549 TIMING: 4664600 CPU: 13502.6, 0.00290302/step Wall: 13502.6, 0.00290302/step, 0.270465 hours remaining, 211.140625 MB of memory in use. ENERGY: 4664600 767.9195 2091.1291 1952.1171 109.4413 -206084.4968 17793.4723 0.0000 0.0000 34172.4573 -149197.9601 298.4366 -183370.4174 -149101.2726 298.9770 -89.6930 -50.8319 559126.0892 11.5168 11.5302 PRESSURE: 4664800 52.6314 -85.5958 60.4616 -85.5959 -32.7408 122.914 60.4622 122.914 108.66 GPRESSURE: 4664800 85.1522 -47.8603 15.8456 -58.8615 -25.4631 64.9635 77.4006 146.506 157.44 PRESSAVG: 4664800 35.4793 -11.0175 17.8957 -11.0175 34.7167 23.3804 17.8956 23.3804 -51.5101 GPRESSAVG: 4664800 35.6278 -13.3219 19.2596 -9.56531 35.1195 24.1049 16.9597 23.7689 -52.2019 TIMING: 4664800 CPU: 13503.2, 0.00291787/step Wall: 13503.2, 0.00291787/step, 0.271686 hours remaining, 211.140625 MB of memory in use. ENERGY: 4664800 705.9114 2107.9261 1957.4483 106.5776 -206194.4820 17864.3036 0.0000 0.0000 34349.2019 -149103.1132 299.9801 -183452.3151 -149009.7867 299.2731 42.8503 72.3762 559068.4817 6.2286 6.1818 PRESSURE: 4665000 -112.065 92.527 -46.2107 92.5261 -7.53703 9.08717 -46.2116 9.08839 17.5356 GPRESSURE: 4665000 -57.7105 158.272 -11.9818 47.9345 10.1671 -53.7111 -27.3308 24.3524 21.9306 PRESSAVG: 4665000 49.7323 -12.5834 -47.2678 -12.5833 -36.6497 -24.0086 -47.2679 -24.0086 -57.3198 GPRESSAVG: 4665000 49.8776 -12.8507 -51.0258 -14.4605 -36.6828 -23.6882 -44.5359 -24.8234 -57.2565 TIMING: 4665000 CPU: 13503.8, 0.00290493/step Wall: 13503.8, 0.00290493/step, 0.27032 hours remaining, 211.140625 MB of memory in use. ENERGY: 4665000 770.9177 2147.0732 1971.2666 111.3238 -206001.6101 17689.6746 0.0000 0.0000 34198.9525 -149112.4018 298.6680 -183311.3542 -149020.6118 299.1160 -34.0221 -8.5376 557476.4972 -14.7457 -14.6872 PRESSURE: 4665200 122.238 9.17197 76.6704 9.17309 -154.333 121.19 76.6708 121.19 -284.094 GPRESSURE: 4665200 145.041 38.9949 70.0183 6.25251 -76.6345 114.55 132.161 134.165 -290.639 PRESSAVG: 4665200 39.7464 33.9907 -40.7513 33.9908 -16.49 31.4417 -40.7513 31.4417 -16.4295 GPRESSAVG: 4665200 39.3474 34.6434 -37.3919 34.9326 -16.4565 31.8104 -44.5108 30.7873 -15.9663 TIMING: 4665200 CPU: 13504.4, 0.00291329/step Wall: 13504.4, 0.00291329/step, 0.270936 hours remaining, 211.140625 MB of memory in use. ENERGY: 4665200 763.5653 2126.1070 1983.7391 126.4854 -205973.4276 17591.8654 0.0000 0.0000 34142.0311 -149239.6343 298.1708 -183381.6654 -149142.6513 299.4936 -105.3961 -74.0777 556952.8667 2.2756 2.3082 PRESSURE: 4665400 -116.789 -100.184 83.6967 -100.185 73.087 -6.58544 83.6966 -6.58352 165.396 GPRESSURE: 4665400 -107.008 -36.405 114.828 -138.105 71.6961 57.627 56.4197 -99.0277 248.733 PRESSAVG: 4665400 26.1413 15.7033 6.9922 15.7034 -10.612 31.252 6.99215 31.2519 21.9642 GPRESSAVG: 4665400 25.4441 16.0199 4.39892 15.0734 -9.84954 31.3772 9.89099 31.2666 21.4172 TIMING: 4665400 CPU: 13505, 0.00291451/step Wall: 13505, 0.00291451/step, 0.270887 hours remaining, 211.140625 MB of memory in use. ENERGY: 4665400 755.9188 2102.5342 1959.9980 106.0498 -206122.9229 17798.3083 0.0000 0.0000 34161.9958 -149238.1180 298.3452 -183400.1138 -149147.2560 299.3162 40.5645 71.1406 556530.6265 12.4978 12.3373 PRESSURE: 4665600 -240.532 4.98917 -75.2813 4.98967 -11.8801 -27.103 -75.2807 -27.1021 -86.6271 GPRESSURE: 4665600 -188.865 -31.377 -51.5652 20.5627 24.6577 25.2901 -75.4549 -6.47033 -83.3001 PRESSAVG: 4665600 -30.7751 -59.1825 21.7961 -59.1825 21.4625 -5.72918 21.7961 -5.72933 24.1534 GPRESSAVG: 4665600 -29.8777 -59.8195 21.6547 -59.0225 19.7399 -6.82014 21.3706 -3.70985 24.5248 TIMING: 4665600 CPU: 13505.6, 0.00292667/step Wall: 13505.6, 0.00292667/step, 0.271855 hours remaining, 211.140625 MB of memory in use. ENERGY: 4665600 754.7085 2080.8915 1956.1042 108.9512 -206195.5967 17755.3017 0.0000 0.0000 34333.7303 -149205.9093 299.8450 -183539.6396 -149108.6689 299.4078 -113.0130 -82.5026 557995.9140 4.9470 4.7957 PRESSURE: 4665800 -146.365 -1.89242 29.0731 -1.89283 -175.081 -49.3025 29.0725 -49.3039 67.3097 GPRESSURE: 4665800 -96.5395 -89.0367 137.452 112.765 -129.321 -70.8944 -58.9985 -92.031 77.3461 PRESSAVG: 4665800 -34.9609 -32.9933 -13.3381 -32.9932 16.2762 10.5469 -13.3382 10.5469 49.3213 GPRESSAVG: 4665800 -35.8199 -32.6777 -11.2081 -31.3067 18.0609 10.9342 -14.7695 8.41398 48.4537 TIMING: 4665800 CPU: 13506.1, 0.0029187/step Wall: 13506.1, 0.0029187/step, 0.270953 hours remaining, 211.140625 MB of memory in use. ENERGY: 4665800 737.1677 2157.0365 1960.7011 99.4485 -205716.0941 17550.3020 0.0000 0.0000 34125.0180 -149086.4203 298.0223 -183211.4382 -148992.0741 299.9138 -84.7121 -49.5047 557944.5599 10.2122 10.2316 PRESSURE: 4666000 178.547 -47.1654 -78.8256 -47.1651 -181.764 -178.577 -78.8258 -178.576 -25.8885 GPRESSURE: 4666000 211.595 -141.871 28.9557 -31.5863 -141.515 -122.898 -128.625 -251.994 9.34261 PRESSAVG: 4666000 24.1637 -17.4904 -8.33435 -17.4904 -68.871 5.84066 -8.33439 5.84057 46.5119 GPRESSAVG: 4666000 24.0644 -16.8072 -9.30191 -19.5472 -69.4377 6.88202 -6.55072 6.17371 46.994 TIMING: 4666000 CPU: 13506.7, 0.00290931/step Wall: 13506.7, 0.00290931/step, 0.269919 hours remaining, 211.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4666000 753.1694 2071.5108 1960.5633 114.0132 -206073.0470 17893.2468 0.0000 0.0000 34084.8746 -149195.6689 297.6717 -183280.5435 -149109.4213 299.2141 -9.7017 26.4741 557695.3492 0.6015 0.5402 PRESSURE: 4666200 -177.38 7.80533 85.9238 7.80697 -189.602 -53.5976 85.9244 -53.5966 148.864 GPRESSURE: 4666200 -118.63 -14.5921 126.308 4.80901 -149.075 -92.1413 -5.78421 27.0415 149.195 PRESSAVG: 4666200 31.9224 77.3732 19.1126 77.3733 -59.5569 -22.974 19.1126 -22.9738 30.9331 GPRESSAVG: 4666200 32.5091 76.7748 18.5399 78.7164 -60.192 -24.8133 18.4776 -23.846 30.3024 TIMING: 4666200 CPU: 13507.3, 0.00293898/step Wall: 13507.3, 0.00293898/step, 0.272509 hours remaining, 211.140625 MB of memory in use. ENERGY: 4666200 761.0608 2067.5278 1964.1459 119.4622 -205983.2905 17663.0743 0.0000 0.0000 34287.8862 -149120.1333 299.4446 -183408.0195 -149028.9466 299.3755 -72.7060 -39.5034 557013.8379 1.0995 0.8732 PRESSURE: 4666400 -264.466 -204.087 -145.02 -204.087 132.342 88.6706 -145.02 88.6696 -11.6954 GPRESSURE: 4666400 -192.551 -221.761 -173.734 -172.263 145.496 51.4078 -167.534 92.2572 -0.694741 PRESSAVG: 4666400 -23.2624 14.812 43.2525 14.812 -6.87114 9.95932 43.2524 9.95931 27.387 GPRESSAVG: 4666400 -22.5862 15.5267 43.4231 12.9405 -7.82261 9.00836 42.9166 13.2046 27.6206 TIMING: 4666400 CPU: 13507.9, 0.00290902/step Wall: 13507.9, 0.00290902/step, 0.269569 hours remaining, 211.140625 MB of memory in use. ENERGY: 4666400 738.3687 2105.5036 1953.0286 122.3447 -206280.1735 17830.6739 0.0000 0.0000 34422.7551 -149107.4990 300.6225 -183530.2541 -149014.4025 299.7354 -47.9399 -15.9165 557612.8597 -0.9155 -0.9294 PRESSURE: 4666600 -44.3424 145.739 -103.427 145.739 73.4345 -22.9706 -103.427 -22.9679 -142.666 GPRESSURE: 4666600 -72.3529 156.539 -51.0973 157.467 73.048 14.0887 -85.6786 -59.8943 -30.2937 PRESSAVG: 4666600 -33.9817 -27.8198 29.3776 -27.8198 1.90017 69.421 29.3776 69.4209 9.84101 GPRESSAVG: 4666600 -36.5327 -27.0738 30.1248 -27.6238 3.23062 70.2632 30.65 68.4919 10.9678 TIMING: 4666600 CPU: 13508.5, 0.00289483/step Wall: 13508.5, 0.00289483/step, 0.268094 hours remaining, 211.140625 MB of memory in use. ENERGY: 4666600 729.7924 2057.7652 1956.7108 123.0248 -205981.3657 17683.4628 0.0000 0.0000 34352.3736 -149078.2361 300.0078 -183430.6097 -148979.5964 299.5478 -37.8580 -9.8662 558081.8637 -7.4135 -7.4448 PRESSURE: 4666800 -63.4652 -135.587 122.511 -135.588 93.5895 -123.784 122.511 -123.783 254.225 GPRESSURE: 4666800 38.5842 -105.712 109.835 -132.418 92.1003 -101.36 87.1422 -51.6484 249.988 PRESSAVG: 4666800 33.0271 33.3376 16.2676 33.3376 36.9532 -40.1458 16.2675 -40.1458 -52.3855 GPRESSAVG: 4666800 32.3647 32.9218 15.3085 34.2068 36.8123 -41.0696 15.8552 -40.7885 -51.498 TIMING: 4666800 CPU: 13509.1, 0.00292457/step Wall: 13509.1, 0.00292457/step, 0.270685 hours remaining, 211.140625 MB of memory in use. ENERGY: 4666800 744.8611 2028.9258 1948.0037 111.6045 -205887.1576 17769.5006 0.0000 0.0000 34296.1845 -148988.0772 299.5171 -183284.2618 -148893.2313 298.9480 94.7831 126.8908 558089.9139 5.8649 5.8930 PRESSURE: 4667000 49.5556 -86.4472 -41.1132 -86.4464 203.637 90.9437 -41.1139 90.9441 -46.3839 GPRESSURE: 4667000 109.116 -206.083 -49.4908 14.1574 256.459 50.7407 32.2797 98.4642 -63.0517 PRESSAVG: 4667000 20.6032 -29.9477 18.4222 -29.9476 -29.4951 -0.145775 18.4221 -0.145821 15.6256 GPRESSAVG: 4667000 21.0755 -30.6003 17.494 -29.2291 -30.1102 2.45265 19.1023 -0.0744253 15.6884 TIMING: 4667000 CPU: 13509.6, 0.00287537/step Wall: 13509.6, 0.00287537/step, 0.265972 hours remaining, 211.140625 MB of memory in use. ENERGY: 4667000 731.5494 2099.2962 1909.5554 111.3147 -206163.3744 17811.3374 0.0000 0.0000 34509.4663 -148990.8551 301.3798 -183500.3213 -148899.9900 300.2494 68.9362 100.8410 556382.5817 2.2445 2.2179 PRESSURE: 4667200 199.001 90.6576 110.297 90.6573 383.587 -8.22489 110.297 -8.22576 82.7308 GPRESSURE: 4667200 208.025 163.645 165.534 71.9778 407.497 11.1928 52.5776 -57.0313 148.481 PRESSAVG: 4667200 15.3182 2.69221 4.74879 2.69219 34.4233 4.50118 4.74879 4.50107 -45.9002 GPRESSAVG: 4667200 15.0802 3.46009 5.78916 3.44451 35.1315 5.24875 5.88911 3.76252 -46.3866 TIMING: 4667200 CPU: 13510.2, 0.00290852/step Wall: 13510.2, 0.00290852/step, 0.268876 hours remaining, 211.140625 MB of memory in use. ENERGY: 4667200 707.8140 2020.6515 1962.8371 121.7650 -206288.7596 18203.8139 0.0000 0.0000 34341.8889 -148929.9892 299.9163 -183271.8781 -148837.2977 300.6593 221.7728 254.6673 557367.8785 1.2804 1.2750 PRESSURE: 4667400 -96.4544 -48.7165 26.2467 -48.7156 -67.5832 4.15756 26.2463 4.1573 36.7904 GPRESSURE: 4667400 -63.1583 -72.3249 44.8871 -5.91556 -53.957 48.0402 -23.2001 -54.5841 93.897 PRESSAVG: 4667400 47.6558 14.6347 30.5206 14.6346 3.8071 -5.36216 30.5205 -5.3623 -5.42129 GPRESSAVG: 4667400 47.5601 15.3161 30.1555 13.5936 3.93223 -6.20418 30.9369 -4.01838 -5.29257 TIMING: 4667400 CPU: 13510.8, 0.00292467/step Wall: 13510.8, 0.00292467/step, 0.270207 hours remaining, 211.140625 MB of memory in use. ENERGY: 4667400 697.0517 2066.2496 1946.7100 110.1137 -205752.7667 17536.6549 0.0000 0.0000 34429.2390 -148966.7478 300.6791 -183395.9868 -148862.7828 300.0986 -42.4157 -7.7394 556661.0986 15.3472 15.3999 PRESSURE: 4667600 -246.769 32.2611 75.5343 32.261 -49.4787 -19.8243 75.5345 -19.8247 -6.88134 GPRESSURE: 4667600 -280.666 0.975811 124.6 39.6563 -11.3169 -38.1581 121 -45.6035 81.5203 PRESSAVG: 4667600 -0.663631 -35.835 32.5103 -35.8351 13.4955 18.1802 32.5103 18.1803 -2.88835 GPRESSAVG: 4667600 -0.195598 -37.6915 32.8189 -34.5784 12.3495 17.8498 31.1467 17.4381 -2.27628 TIMING: 4667600 CPU: 13511.4, 0.00291432/step Wall: 13511.4, 0.00291432/step, 0.269089 hours remaining, 211.140625 MB of memory in use. ENERGY: 4667600 739.0962 2091.9786 1943.2527 112.5059 -205710.1962 17592.8605 0.0000 0.0000 34557.5866 -148672.9158 301.8000 -183230.5024 -148576.5516 300.4151 -101.0429 -70.1542 558155.1019 3.3145 3.2925 PRESSURE: 4667800 -0.697773 -20.6552 -34.0997 -20.6547 -228.399 -142.444 -34.1002 -142.444 -86.7196 GPRESSURE: 4667800 53.7754 -36.5736 -56.8008 -35.6488 -187.673 -60.5261 37.6165 -131.285 -74.4299 PRESSAVG: 4667800 -19.211 42.8425 41.186 42.8424 3.51745 2.07061 41.186 2.07052 27.5775 GPRESSAVG: 4667800 -19.1247 44.2234 39.2879 39.6339 4.61269 0.175988 40.8948 3.51179 26.2257 TIMING: 4667800 CPU: 13512, 0.00289629/step Wall: 13512, 0.00289629/step, 0.267263 hours remaining, 211.140625 MB of memory in use. ENERGY: 4667800 791.4596 2127.8700 1900.3655 109.3551 -205631.6921 17539.9524 0.0000 0.0000 34565.8967 -148596.7929 301.8726 -183162.6896 -148501.7509 301.2883 -105.2720 -69.4426 557203.0376 3.9613 3.9046 PRESSURE: 4668000 105.091 -84.1732 -141.757 -84.1735 80.8748 52.3534 -141.756 52.3525 78.6622 GPRESSURE: 4668000 152.553 -112.984 -149.575 4.93859 130.667 143.233 -95.1957 -0.319085 78.9041 PRESSAVG: 4668000 -4.23837 -13.4967 -6.7244 -13.4967 -20.5849 15.061 -6.72439 15.061 27.6806 GPRESSAVG: 4668000 -5.40999 -14.2107 -5.70751 -12.0834 -20.2703 19.3129 -5.89962 12.5708 28.4086 TIMING: 4668000 CPU: 13512.5, 0.00291292/step Wall: 13512.5, 0.00291292/step, 0.268636 hours remaining, 211.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4668000 734.1975 2125.5732 1900.6676 116.4663 -205496.2817 17706.6320 0.0000 0.0000 34314.5494 -148598.1958 299.6775 -182912.7452 -148507.0074 300.7680 88.2094 120.7081 557142.7273 0.9525 0.9094 PRESSURE: 4668200 -251.121 -122.506 20.3512 -122.506 148.908 1.47002 20.3512 1.47101 20.4724 GPRESSURE: 4668200 -182.286 -41.8611 100.948 -172.995 155.166 1.891 7.51576 -64.4502 34.6288 PRESSAVG: 4668200 -10.6842 -26.1386 30.1981 -26.1386 -43.8506 29.553 30.1981 29.5529 129.096 GPRESSAVG: 4668200 -10.5921 -25.8168 29.9253 -24.6457 -44.6168 25.9457 30.2673 31.6341 129.731 TIMING: 4668200 CPU: 13513.1, 0.00290919/step Wall: 13513.1, 0.00290919/step, 0.268131 hours remaining, 211.140625 MB of memory in use. ENERGY: 4668200 750.6763 2112.5895 1926.9901 127.9854 -205507.2923 17579.8244 0.0000 0.0000 34395.0805 -148614.1462 300.3808 -183009.2267 -148515.1023 300.9217 -27.2469 2.5030 557042.4336 24.8536 24.8408 LDB: ============= START OF LOAD BALANCING ============== 13516.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13516.5 LDB: =============== DONE WITH MIGRATION ================ 13516.5 LDB: ============= START OF LOAD BALANCING ============== 13516.8 LDB: Largest compute 4773 load 0.028945 is 24.5% of average load 0.117980 LDB: Average compute 0.001737 is 1.5% of average load 0.117980 LDB: TIME 13516.8 LOAD: AVG 0.11798 MAX 0.178326 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.883 MB LDB: TIME 13516.8 LOAD: AVG 0.11798 MAX 0.178326 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.922 MB LDB: TIME 13516.8 LOAD: AVG 0.11798 MAX 0.178326 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13516.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13516.8 PRESSURE: 4668400 50.6972 -45.443 206.521 -45.4433 -15.9865 -5.23055 206.52 -5.23036 98.1606 GPRESSURE: 4668400 30.2376 -76.0716 107.639 -106.498 40.3206 22.6356 257.165 -72.5771 154.364 PRESSAVG: 4668400 2.74793 2.01338 15.0726 2.01318 42.2773 -36.1802 15.0726 -36.1802 -40.4634 GPRESSAVG: 4668400 4.50579 2.57476 15.5823 -1.06365 41.4287 -35.1093 14.9456 -36.619 -41.7677 TIMING: 4668400 CPU: 13513.7, 0.00297495/step Wall: 13513.7, 0.00297495/step, 0.274026 hours remaining, 210.882812 MB of memory in use. ENERGY: 4668400 728.9723 2121.1172 1926.3096 104.0925 -205855.1859 17684.5029 0.0000 0.0000 34678.5721 -148611.6193 302.8566 -183290.1914 -148519.6250 301.5657 44.2904 74.9740 557065.1364 1.5206 1.3889 PRESSURE: 4668600 46.402 -131.433 -106.032 -131.432 -212.669 59.5465 -106.031 59.546 -166.274 GPRESSURE: 4668600 128.51 -127.753 -137.973 -113.902 -235.991 70.4565 -51.3371 -44.0017 -130.97 PRESSAVG: 4668600 27.496 -46.0614 -56.6749 -46.0615 24.34 -16.0693 -56.6749 -16.0692 -48.9565 GPRESSAVG: 4668600 25.9276 -46.0974 -56.5159 -45.5254 25.122 -17.6023 -57.7505 -16.1088 -48.2182 TIMING: 4668600 CPU: 13514.3, 0.00291557/step Wall: 13514.3, 0.00291557/step, 0.268395 hours remaining, 210.882812 MB of memory in use. ENERGY: 4668600 788.1678 2086.1742 1930.0347 137.8896 -205473.4769 17402.2305 0.0000 0.0000 34628.6039 -148500.3760 302.4202 -183128.9799 -148400.5911 301.3847 -110.8469 -79.4836 556815.0099 0.9598 0.9438 PRESSURE: 4668800 -47.8042 -9.50206 112.566 -9.50139 180.588 -87.1403 112.566 -87.14 158.889 GPRESSURE: 4668800 -43.3778 -23.3441 151.236 -27.739 219.584 -104.934 121.186 -24.1927 218.736 PRESSAVG: 4668800 20.0258 0.549262 28.6941 0.549257 -34.4812 -50.0216 28.6941 -50.0217 27.4884 GPRESSAVG: 4668800 20.5535 -0.682494 29.1455 3.00331 -34.8076 -48.0064 30.2021 -51.4316 27.2359 TIMING: 4668800 CPU: 13514.9, 0.0028806/step Wall: 13514.9, 0.0028806/step, 0.265015 hours remaining, 210.882812 MB of memory in use. ENERGY: 4668800 711.1648 2074.2978 1937.4073 118.4334 -206171.3959 17858.1437 0.0000 0.0000 34596.1989 -148875.7499 302.1372 -183471.9489 -148776.8929 301.2351 97.2243 131.6473 556455.2568 4.3443 4.3273 PRESSURE: 4669000 -183.997 78.7898 20.9882 78.7887 -70.8541 47.6738 20.9885 47.6746 -133.457 GPRESSURE: 4669000 -105.402 75.6162 -15.2731 80.3556 -125.29 69.5823 -2.17014 7.98532 -54.0939 PRESSAVG: 4669000 24.0444 -12.041 28.7547 -12.041 -29.0632 8.35381 28.7547 8.35376 13.5256 GPRESSAVG: 4669000 24.8937 -10.5156 26.9972 -13.3853 -29.5443 8.54694 28.844 8.7506 13.5001 TIMING: 4669000 CPU: 13515.5, 0.00291577/step Wall: 13515.5, 0.00291577/step, 0.268089 hours remaining, 210.882812 MB of memory in use. ENERGY: 4669000 773.7215 2075.3607 1948.1472 115.1390 -205817.5216 17481.5796 0.0000 0.0000 34639.1955 -148784.3781 302.5127 -183423.5735 -148687.5145 300.6697 -129.4362 -94.9287 557807.4365 2.8356 2.9499 PRESSURE: 4669200 177.796 -39.2678 74.9581 -39.2681 15.4788 -77.7028 74.9575 -77.7028 174.535 GPRESSURE: 4669200 213.95 -1.61393 84.59 -56.2434 56.5758 -25.4255 30.1811 -123.774 201.552 PRESSAVG: 4669200 47.1147 6.25935 31.3268 6.25944 10.885 48.4366 31.3268 48.4366 -0.797016 GPRESSAVG: 4669200 45.6692 5.70918 34.1844 6.44391 11.7268 46.3262 29.2277 51.7906 -0.22009 TIMING: 4669200 CPU: 13516, 0.00290324/step Wall: 13516, 0.00290324/step, 0.266775 hours remaining, 210.882812 MB of memory in use. ENERGY: 4669200 754.1923 2120.3555 1940.3593 113.3432 -206417.1318 18257.1508 0.0000 0.0000 34116.9433 -149114.7874 297.9518 -183231.7307 -149024.3292 299.9594 122.6033 157.3591 556831.3723 19.0676 19.0587 PRESSURE: 4669400 66.2258 -126.832 -103.437 -126.834 -43.4036 76.7899 -103.437 76.7904 -73.1224 GPRESSURE: 4669400 120.714 -166.982 -56.6297 -82.1887 -68.7393 76.7824 -85.6916 44.8915 4.37711 PRESSAVG: 4669400 21.0508 -35.2279 27.4041 -35.2279 -26.1061 8.19457 27.404 8.19459 17.3892 GPRESSAVG: 4669400 20.7422 -36.6247 26.1058 -35.0967 -26.6454 8.78149 28.578 5.04214 18.6166 TIMING: 4669400 CPU: 13516.6, 0.00290852/step Wall: 13516.6, 0.00290852/step, 0.267099 hours remaining, 210.882812 MB of memory in use. ENERGY: 4669400 724.0740 2107.0512 1934.1197 112.2608 -206073.5850 17859.9524 0.0000 0.0000 34167.2036 -149168.9233 298.3907 -183336.1269 -149075.3932 299.5645 -16.7667 18.7839 558338.3484 4.1113 4.2378 PRESSURE: 4669600 -109.779 -104.433 88.1508 -104.433 185.207 68.6043 88.1523 68.6033 -107.774 GPRESSURE: 4669600 -95.8901 -81.5547 68.6687 -133.284 211.059 12.8107 87.7156 20.7335 -54.5995 PRESSAVG: 4669600 -2.15138 -39.0215 -3.54563 -39.0215 -53.8826 48.8595 -3.54562 48.8595 16.9645 GPRESSAVG: 4669600 -1.23592 -34.9806 -5.01303 -40.9289 -53.0484 48.6476 -4.84346 50.7278 15.6293 TIMING: 4669600 CPU: 13517.2, 0.00293785/step Wall: 13517.2, 0.00293785/step, 0.269629 hours remaining, 210.882812 MB of memory in use. ENERGY: 4669600 758.7296 2056.4947 1946.2570 111.8926 -206356.0524 17707.2194 0.0000 0.0000 34384.7048 -149390.7543 300.2902 -183775.4591 -149286.2309 299.1154 -10.7821 20.1899 557456.3966 -13.0232 -12.8850 PRESSURE: 4669800 -106.06 166.857 22.1668 166.857 -12.8478 144.112 22.1675 144.11 43.5002 GPRESSURE: 4669800 -102.711 211.306 15.8658 163.036 53.7613 160.047 11.6411 106.848 74.9167 PRESSAVG: 4669800 -53.9734 -11.8208 3.01392 -11.8208 -29.7099 -7.54608 3.01393 -7.54599 59.7279 GPRESSAVG: 4669800 -52.9674 -14.2615 3.10775 -10.772 -30.874 -8.61109 2.09011 -9.1365 60.1417 TIMING: 4669800 CPU: 13517.8, 0.00291787/step Wall: 13517.8, 0.00291787/step, 0.267633 hours remaining, 210.882812 MB of memory in use. ENERGY: 4669800 720.6022 2073.8087 1954.5068 117.9987 -206069.5446 17722.4279 0.0000 0.0000 34155.5228 -149324.6774 298.2887 -183480.2002 -149222.7846 298.5126 -25.1357 8.6555 557334.5354 -7.9851 -7.8999 PRESSURE: 4670000 -125.779 -77.1227 -108.415 -77.123 -316.833 -121.073 -108.415 -121.073 39.1173 GPRESSURE: 4670000 -79.7663 -113.021 -125.179 -30.4248 -254.943 -63.1202 -129.913 -189.488 28.1925 PRESSAVG: 4670000 -50.0286 23.5483 -43.2811 23.5484 37.6629 -57.774 -43.2811 -57.774 37.809 GPRESSAVG: 4670000 -50.6093 23.8296 -41.3248 24.6016 38.6684 -57.5886 -41.433 -56.7293 37.0763 TIMING: 4670000 CPU: 13518.4, 0.00289225/step Wall: 13518.4, 0.00289225/step, 0.265123 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4670000 742.3052 2091.0988 1933.8667 112.1419 -205629.1949 17469.5093 0.0000 0.0000 34111.6345 -149168.6384 297.9054 -183280.2729 -149066.6283 298.9233 -134.4982 -102.1724 557208.3373 8.4811 8.3784 PRESSURE: 4670200 -256.044 36.2367 40.9884 36.2365 -102.023 52.5128 40.9885 52.5136 117.831 GPRESSURE: 4670200 -179.001 100.205 61.8332 52.8384 -71.393 -44.395 31.9691 45.5554 120.335 PRESSAVG: 4670200 -21.1202 -11.48 -48.3272 -11.4801 -5.08587 14.4771 -48.3272 14.4771 43.2778 GPRESSAVG: 4670200 -21.5737 -10.0841 -48.5915 -12.3197 -6.14844 15.3137 -46.9558 14.9413 44.8849 TIMING: 4670200 CPU: 13519, 0.0029253/step Wall: 13519, 0.0029253/step, 0.26799 hours remaining, 210.882812 MB of memory in use. ENERGY: 4670200 765.6497 2077.5796 1962.6847 118.8877 -205876.3988 17515.2253 0.0000 0.0000 34265.0907 -149171.2813 299.2456 -183436.3719 -149081.6083 299.3743 -80.0787 -43.3531 557668.2096 5.6906 5.7209 PRESSURE: 4670400 -181.58 13.8897 -47.1687 13.8916 -122.313 30.2335 -47.17 30.2346 -11.1644 GPRESSURE: 4670400 -119.922 77.7562 -86.9047 51.3863 -70.8708 -41.4002 -70.0524 41.212 -23.7426 PRESSAVG: 4670400 -52.7955 18.0152 -29.4992 18.0153 4.06703 59.1294 -29.4992 59.1294 22.6071 GPRESSAVG: 4670400 -52.9363 17.329 -29.5892 18.3167 5.25598 57.3904 -31.1575 60.4018 21.6501 TIMING: 4670400 CPU: 13519.6, 0.00294776/step Wall: 13519.6, 0.00294776/step, 0.269884 hours remaining, 210.882812 MB of memory in use. ENERGY: 4670400 790.9972 2116.2881 1932.4823 110.2074 -206264.1246 17832.2308 0.0000 0.0000 34123.3924 -149358.5264 298.0081 -183481.9188 -149262.7332 298.6125 -105.0190 -71.5119 558181.4200 -8.7071 -8.6767 PRESSURE: 4670600 18.8138 108.528 -110.325 108.529 -183.383 141.794 -110.325 141.793 -154.759 GPRESSURE: 4670600 56.3837 53.1723 -83.9918 58.1814 -148.453 124.468 -102.718 119.44 -114.267 PRESSAVG: 4670600 -59.4461 35.6586 -39.2929 35.6585 9.46134 20.5532 -39.2929 20.5534 25.2552 GPRESSAVG: 4670600 -59.6465 35.0102 -38.4319 36.5135 8.47076 19.7002 -39.4044 18.4482 26.4838 TIMING: 4670600 CPU: 13520.1, 0.00290467/step Wall: 13520.1, 0.00290467/step, 0.265778 hours remaining, 210.882812 MB of memory in use. ENERGY: 4670600 788.0873 2070.8321 1945.6907 97.6893 -206394.3869 17782.2451 0.0000 0.0000 34450.1558 -149259.6867 300.8618 -183709.8425 -149163.5053 299.0997 -106.4427 -68.7787 558524.7856 -8.2432 -8.2307 PRESSURE: 4670800 239.579 84.5066 -20.3298 84.5087 39.3941 -232.007 -20.33 -232.008 72.1071 GPRESSURE: 4670800 284.643 52.6899 -70.2347 51.8306 112.282 -224.489 33.9964 -209.186 49.4715 PRESSAVG: 4670800 -50.908 -13.2649 -80.7986 -13.2648 41.8954 -67.4289 -80.7985 -67.4291 -32.8765 GPRESSAVG: 4670800 -49.5166 -11.6119 -82.2639 -13.0743 42.7583 -66.4261 -82.2103 -68.2886 -35.14 TIMING: 4670800 CPU: 13520.7, 0.00293411/step Wall: 13520.7, 0.00293411/step, 0.268308 hours remaining, 210.882812 MB of memory in use. ENERGY: 4670800 703.6718 2120.2789 1961.5195 122.0543 -206285.4817 17768.5735 0.0000 0.0000 34129.7672 -149479.6164 298.0637 -183609.3837 -149388.4252 298.4528 117.0267 148.7987 556400.9371 -13.9630 -13.9661 PRESSURE: 4671000 -4.26478 -28.3788 -32.6622 -28.3798 -315.259 36.7965 -32.663 36.7958 -144.772 GPRESSURE: 4671000 69.9207 -78.967 -50.5247 -29.5368 -320.667 -3.16139 26.8272 35.06 -128.502 PRESSAVG: 4671000 8.13546 -11.6574 -67.2763 -11.6574 -22.1425 -19.4729 -67.2763 -19.4728 21.2244 GPRESSAVG: 4671000 7.9029 -13.5573 -64.5375 -13.5637 -22.5086 -18.3653 -65.3845 -17.8259 21.786 TIMING: 4671000 CPU: 13521.3, 0.00292025/step Wall: 13521.3, 0.00292025/step, 0.266878 hours remaining, 210.882812 MB of memory in use. ENERGY: 4671000 805.5667 2162.2596 1917.9527 110.7581 -206309.1992 17792.0912 0.0000 0.0000 34260.1591 -149260.4117 299.2025 -183520.5708 -149168.9775 298.7697 -154.7654 -126.4159 558196.8676 2.4058 2.3934 PRESSURE: 4671200 -129.287 76.8184 -19.8167 76.8178 -267.307 -15.7233 -19.8175 -15.725 -160.312 GPRESSURE: 4671200 -53.0695 43.9145 -16.8678 63.0632 -259.697 15.3371 -34.6493 3.97642 -133.194 PRESSAVG: 4671200 37.7466 -6.3716 21.418 -6.37155 -15.0909 18.1153 21.418 18.1153 7.11836 GPRESSAVG: 4671200 37.802 -6.0081 19.6083 -6.63334 -16.024 16.9522 21.6927 17.7769 8.07063 TIMING: 4671200 CPU: 13521.9, 0.00290411/step Wall: 13521.9, 0.00290411/step, 0.265242 hours remaining, 210.882812 MB of memory in use. ENERGY: 4671200 766.2819 2147.7131 1938.2842 110.5245 -206076.1334 17601.8056 0.0000 0.0000 34333.6661 -149177.8580 299.8444 -183511.5241 -149076.0776 299.4966 -185.6353 -148.6536 559090.5423 9.9247 9.9495 PRESSURE: 4671400 96.7209 -78.4816 190.722 -78.4805 -14.2557 149.357 190.721 149.356 182.164 GPRESSURE: 4671400 111.303 -91.6302 216.745 -53.9937 -8.95429 218.457 180.802 46.9049 263.262 PRESSAVG: 4671400 7.72706 2.28413 -0.513604 2.28398 -40.7415 37.1324 -0.513567 37.1324 -36.3784 GPRESSAVG: 4671400 6.91058 4.15397 -2.10655 3.68098 -40.0867 39.6771 0.500222 34.5664 -36.4739 TIMING: 4671400 CPU: 13522.5, 0.00288928/step Wall: 13522.5, 0.00288928/step, 0.263727 hours remaining, 210.882812 MB of memory in use. ENERGY: 4671400 746.1502 2171.2509 1949.8663 116.6542 -206626.4004 18152.2438 0.0000 0.0000 34313.8154 -149176.4197 299.6711 -183490.2351 -149080.0513 299.9465 88.2097 121.8701 558018.8491 -23.1310 -23.2167 PRESSURE: 4671600 -125.305 79.3981 59.3168 79.3972 -121.859 -2.56542 59.3172 -2.5668 -67.2025 GPRESSURE: 4671600 -93.4256 -8.34505 77.6045 149.772 -53.4871 -16.0917 -10.2965 39.5126 -49.7207 PRESSAVG: 4671600 42.2148 -33.0844 -21.1036 -33.0845 -38.2837 -33.1756 -21.1036 -33.1756 36.6597 GPRESSAVG: 4671600 42.3 -34.5705 -20.3625 -31.4343 -37.3975 -35.8953 -21.0512 -29.8801 35.9075 TIMING: 4671600 CPU: 13523, 0.002889/step Wall: 13523, 0.002889/step, 0.263541 hours remaining, 210.882812 MB of memory in use. ENERGY: 4671600 779.8186 2177.7580 1954.0588 114.8261 -205867.9251 17663.5668 0.0000 0.0000 34017.6191 -149160.2778 297.0843 -183177.8969 -149064.9840 299.1707 -104.7888 -65.5444 557175.5994 13.5303 13.6033 PRESSURE: 4671800 -245.58 -42.6257 24.1942 -42.6259 -71.3184 16.094 24.1938 16.0946 -49.5666 GPRESSURE: 4671800 -232.197 -117.867 110.576 25.0069 -32.4109 140.808 -4.31989 -85.6589 -8.82523 PRESSAVG: 4671800 -14.9332 -21.0561 -35.4498 -21.0561 53.4733 -2.19936 -35.4499 -2.19935 -12.102 GPRESSAVG: 4671800 -14.8649 -21.0545 -35.3705 -22.831 52.6297 0.321044 -37.3186 -2.81911 -11.2518 TIMING: 4671800 CPU: 13523.6, 0.00289864/step Wall: 13523.6, 0.00289864/step, 0.264259 hours remaining, 210.882812 MB of memory in use. ENERGY: 4671800 734.4195 2091.6619 1936.4738 118.6926 -206025.2867 17504.0085 0.0000 0.0000 34496.4390 -149143.5914 301.2660 -183640.0304 -149036.7538 299.8523 -122.1551 -91.1444 558534.8138 8.8127 8.8377 PRESSURE: 4672000 93.4426 -117.772 63.4284 -117.773 62.5892 47.9665 63.4282 47.9641 -144.809 GPRESSURE: 4672000 122.351 -181.278 36.0389 6.48404 114.491 76.8536 61.858 93.7748 -125.917 PRESSAVG: 4672000 28.1595 15.2885 -7.7056 15.2884 9.13765 32.7508 -7.70565 32.7508 -10.1305 GPRESSAVG: 4672000 28.9 18.0627 -7.33702 15.2523 9.02673 30.3575 -7.52328 32.5403 -10.4087 TIMING: 4672000 CPU: 13524.2, 0.00292469/step Wall: 13524.2, 0.00292469/step, 0.266472 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4672000 777.6021 2108.4432 1948.9429 119.8786 -206496.1360 17988.8211 0.0000 0.0000 34452.1730 -149100.2750 300.8794 -183552.4480 -149005.4476 300.3927 3.7411 36.9749 559171.6247 9.0556 9.1727 PRESSURE: 4672200 37.2974 67.7095 -20.5217 67.7095 -240.271 24.7603 -20.5225 24.7602 -254.444 GPRESSURE: 4672200 59.698 76.0266 -7.4398 7.55074 -176.639 102.921 -109.506 -43.4872 -240.912 PRESSAVG: 4672200 -10.2608 22.5576 5.42561 22.5577 57.6454 3.92316 5.42556 3.92319 -28.0752 GPRESSAVG: 4672200 -10.2487 21.0891 5.24063 22.8082 57.8201 4.31564 4.89358 5.46948 -28.718 TIMING: 4672200 CPU: 13524.8, 0.00293175/step Wall: 13524.8, 0.00293175/step, 0.266952 hours remaining, 210.882812 MB of memory in use. ENERGY: 4672200 748.4238 2116.1700 1956.0075 111.8261 -206246.3205 17783.5014 0.0000 0.0000 34281.9707 -149248.4210 299.3930 -183530.3917 -149148.0876 299.1577 -152.4727 -119.2842 558640.4214 6.4365 6.2844 LDB: ============= START OF LOAD BALANCING ============== 13528.2 LDB: ============== END OF LOAD BALANCING =============== 13528.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13528.2 LDB: ============= START OF LOAD BALANCING ============== 13528.5 LDB: Largest compute 4773 load 0.029657 is 25.1% of average load 0.117950 LDB: Average compute 0.001732 is 1.5% of average load 0.117950 LDB: TIME 13528.5 LOAD: AVG 0.11795 MAX 0.181687 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.883 MB LDB: TIME 13528.5 LOAD: AVG 0.11795 MAX 0.181687 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.945 MB LDB: TIME 13528.5 LOAD: AVG 0.11795 MAX 0.181687 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.945 MB LDB: ============== END OF LOAD BALANCING =============== 13528.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13528.5 PRESSURE: 4672400 -140.386 -102.899 -117.173 -102.901 41.9281 65.2514 -117.175 65.2503 125.388 GPRESSURE: 4672400 -116.159 -111.135 -186.686 -94.47 81.7798 172.722 -39.4043 118.592 162.446 PRESSAVG: 4672400 -17.5799 31.4347 28.7466 31.4347 25.3004 62.347 28.7466 62.3469 2.24831 GPRESSAVG: 4672400 -17.3453 31.2107 30.4213 30.604 24.9033 63.6502 29.6903 58.4482 2.48201 TIMING: 4672400 CPU: 13525.4, 0.00297798/step Wall: 13525.4, 0.00297798/step, 0.270996 hours remaining, 211.140625 MB of memory in use. ENERGY: 4672400 753.8404 2077.0412 1928.6375 119.4333 -206138.3438 17806.5946 0.0000 0.0000 34251.7513 -149201.0454 299.1291 -183452.7968 -149102.3098 298.8154 8.9767 42.6892 558056.3349 3.3229 3.3467 PRESSURE: 4672600 -33.0839 -7.40954 17.0219 -7.40782 235.552 236.689 17.0212 236.69 -201.706 GPRESSURE: 4672600 -7.06119 49.5248 -29.6468 22.1313 260.075 338.816 16.6118 148.854 -149.45 PRESSAVG: 4672600 -14.1336 14.2339 -53.6002 14.2338 26.8864 23.1155 -53.6001 23.1156 -12.0395 GPRESSAVG: 4672600 -15.5247 12.7354 -53.5161 14.4094 26.945 23.656 -54.4753 25.0391 -11.0559 TIMING: 4672600 CPU: 13526, 0.00292665/step Wall: 13526, 0.00292665/step, 0.266163 hours remaining, 211.140625 MB of memory in use. ENERGY: 4672600 734.8679 2087.4189 1976.6288 109.5351 -206157.2090 17695.4454 0.0000 0.0000 34351.5938 -149201.7191 300.0010 -183553.3129 -149098.2324 299.3320 0.2539 34.5214 557608.3500 0.2378 0.1215 PRESSURE: 4672800 -141.272 -107.599 -34.016 -107.597 -132.379 -61.9003 -34.0149 -61.8994 -137.762 GPRESSURE: 4672800 -144.586 -127.031 35.7991 -28.4641 -68.3792 -49.2 -57.6623 -35.3958 -93.2296 PRESSAVG: 4672800 -17.6057 -12.5013 8.28952 -12.5013 16.9081 17.7436 8.28952 17.7435 -18.4094 GPRESSAVG: 4672800 -16.3285 -11.5819 7.69409 -10.9432 17.0598 16.0977 9.88202 18.5334 -19.6829 TIMING: 4672800 CPU: 13526.6, 0.00290012/step Wall: 13526.6, 0.00290012/step, 0.263588 hours remaining, 211.140625 MB of memory in use. ENERGY: 4672800 727.7138 2108.2296 1972.6534 131.6255 -205883.2855 17428.9368 0.0000 0.0000 34154.0448 -149360.0817 298.2758 -183514.1264 -149255.8880 298.7179 -137.1375 -102.0650 558370.9661 -6.3690 -6.3172 PRESSURE: 4673000 210.169 80.5549 -53.2922 80.5548 48.5896 -153.451 -53.2923 -153.45 118.211 GPRESSURE: 4673000 311.077 148.134 -154.711 88.9499 121.074 -46.3839 88.1657 -111.087 32.2446 PRESSAVG: 4673000 -14.0915 33.4397 8.95619 33.4396 -5.07513 12.4942 8.95614 12.494 36.2911 GPRESSAVG: 4673000 -12.9664 34.4688 10.1117 31.3412 -5.83138 14.688 8.5456 10.5477 35.5538 TIMING: 4673000 CPU: 13527.1, 0.00290441/step Wall: 13527.1, 0.00290441/step, 0.263818 hours remaining, 211.140625 MB of memory in use. ENERGY: 4673000 747.3081 2044.8621 1975.1555 110.4136 -206536.3814 17999.7889 0.0000 0.0000 34362.8485 -149296.0046 300.0993 -183658.8531 -149200.4472 299.4842 125.6566 154.7987 556364.3147 5.7082 5.5853 PRESSURE: 4673200 -28.8489 66.2537 53.6166 66.2538 5.05346 73.1579 53.6155 73.1582 28.0581 GPRESSURE: 4673200 -0.476232 -22.1037 22.0277 110.138 11.0991 126.115 79.3379 -22.7414 100.778 PRESSAVG: 4673200 -31.33 57.5805 3.26006 57.5806 -58.616 -72.938 3.26008 -72.938 101.636 GPRESSAVG: 4673200 -33.1875 56.2669 1.54571 59.9754 -58.4966 -74.5614 3.41642 -71.0329 102.925 TIMING: 4673200 CPU: 13527.7, 0.00289862/step Wall: 13527.7, 0.00289862/step, 0.26313 hours remaining, 211.140625 MB of memory in use. ENERGY: 4673200 705.5739 2085.9650 1960.0652 105.9691 -206003.4954 17693.2154 0.0000 0.0000 34224.4223 -149228.2845 298.8904 -183452.7068 -149134.7972 299.7041 1.4209 37.1336 558192.6138 3.8967 3.7469 PRESSURE: 4673400 -335.224 8.23322 -82.666 8.23261 -147.597 50.3516 -82.6651 50.3525 -216.866 GPRESSURE: 4673400 -285.487 -33.2831 -141.636 35.1584 -125.634 39.173 -76.7065 -23.504 -180.055 PRESSAVG: 4673400 -43.6687 -3.0858 -12.1503 -3.08577 22.5171 -60.804 -12.1504 -60.804 28.1516 GPRESSAVG: 4673400 -44.1782 -3.12366 -10.5953 -3.46407 22.6454 -60.8951 -13.002 -59.8935 28.357 TIMING: 4673400 CPU: 13528.3, 0.00287614/step Wall: 13528.3, 0.00287614/step, 0.26093 hours remaining, 211.140625 MB of memory in use. ENERGY: 4673400 720.2476 2095.3202 1952.4549 112.9897 -205956.9349 17535.1607 0.0000 0.0000 34362.1555 -149178.6063 300.0933 -183540.7618 -149085.1188 300.1413 -233.2289 -197.0588 557520.6290 2.3333 2.2747 PRESSURE: 4673600 34.671 -10.9973 -3.26486 -10.9975 35.3437 -5.11645 -3.26632 -5.11593 116.739 GPRESSURE: 4673600 84.4506 -17.4091 80.0073 85.084 75.569 -13.9033 11.7894 -55.1009 137.99 PRESSAVG: 4673600 53.9518 -46.6985 -23.7069 -46.6986 -75.8326 -19.4457 -23.7069 -19.4457 17.4284 GPRESSAVG: 4673600 54.5006 -46.4411 -25.373 -47.7975 -75.7575 -16.618 -22.1435 -23.5728 16.1355 TIMING: 4673600 CPU: 13528.9, 0.00289807/step Wall: 13528.9, 0.00289807/step, 0.262758 hours remaining, 211.140625 MB of memory in use. ENERGY: 4673600 719.2772 2095.1529 1953.0904 119.1355 -206482.1324 17796.3340 0.0000 0.0000 34554.7649 -149244.3776 301.7754 -183799.1425 -149149.1959 299.5345 62.2511 99.3366 555649.4204 -1.4841 -1.7071 PRESSURE: 4673800 -85.3629 2.38417 129.933 2.38541 -18.8236 210.189 129.931 210.19 -0.93652 GPRESSURE: 4673800 -83.384 40.7186 127.472 -1.75814 16.4621 190.449 120.375 181.362 74.9098 PRESSAVG: 4673800 25.3309 53.9362 14.0157 53.9364 6.96774 67.7385 14.0158 67.7384 -12.3976 GPRESSAVG: 4673800 24.9222 54.3687 15.5988 54.9487 7.01488 65.8851 14.232 70.4367 -12.2847 TIMING: 4673800 CPU: 13529.5, 0.00290896/step Wall: 13529.5, 0.00290896/step, 0.263584 hours remaining, 211.140625 MB of memory in use. ENERGY: 4673800 777.3705 2117.7214 1922.1056 138.4513 -206370.1370 17745.4501 0.0000 0.0000 34427.4154 -149241.6227 300.6632 -183669.0381 -149144.9954 299.7326 -35.0410 2.6626 557079.5103 6.6337 6.5508 PRESSURE: 4674000 -413.926 -107.586 135.267 -107.586 82.1105 -55.7175 135.267 -55.7172 -307.697 GPRESSURE: 4674000 -370.083 -9.79994 163.027 -192.025 107.931 47.1295 67.3234 -139.642 -269.797 PRESSAVG: 4674000 -64.9269 -33.7189 40.9165 -33.719 58.8096 82.8848 40.9165 82.8848 -21.3959 GPRESSAVG: 4674000 -64.4791 -34.7832 39.5428 -33.1654 58.3303 82.4232 42.7654 84.8751 -21.744 TIMING: 4674000 CPU: 13530, 0.0029042/step Wall: 13530, 0.0029042/step, 0.262991 hours remaining, 211.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4674000 771.8873 2142.3487 1970.9834 105.4741 -205968.4593 17522.1943 0.0000 0.0000 34312.0098 -149143.5616 299.6553 -183455.5714 -149047.6496 299.3850 -213.1709 -177.3164 557138.2594 -9.1710 -9.2976 PRESSURE: 4674200 -11.3385 -114.322 -76.3863 -114.322 161.094 -90.2254 -76.3855 -90.2247 143.719 GPRESSURE: 4674200 1.85761 -81.5644 -81.4003 -154.297 214.685 -149.704 -95.099 -115.693 168.037 PRESSAVG: 4674200 -66.571 16.7684 40.2659 16.7683 54.9709 36.9154 40.2659 36.9155 -21.2115 GPRESSAVG: 4674200 -66.6784 16.0706 42.1701 16.1645 54.3917 39.3508 38.0845 34.2087 -20.9527 TIMING: 4674200 CPU: 13530.6, 0.00290557/step Wall: 13530.6, 0.00290557/step, 0.262954 hours remaining, 211.140625 MB of memory in use. ENERGY: 4674200 736.3189 2108.4006 1941.2946 120.7242 -206123.9811 17920.0569 0.0000 0.0000 34070.7459 -149226.4401 297.5483 -183297.1859 -149134.1999 299.4644 97.8248 128.1934 557414.7584 -10.9372 -11.0798 PRESSURE: 4674400 181.248 56.5545 -87.0333 56.555 285.505 25.4765 -87.0349 25.4754 -205.675 GPRESSURE: 4674400 159.923 -6.15745 -62.2673 108.317 367.466 -4.7045 -35.2484 -25.5062 -167.947 PRESSAVG: 4674400 -19.426 -55.5284 3.00338 -55.5285 8.71401 24.7775 3.00333 24.7775 -28.3723 GPRESSAVG: 4674400 -19.763 -55.3978 1.21052 -57.534 8.27309 24.5405 4.69214 26.8605 -28.2079 TIMING: 4674400 CPU: 13531.2, 0.00289672/step Wall: 13531.2, 0.00289672/step, 0.261992 hours remaining, 211.140625 MB of memory in use. ENERGY: 4674400 754.4518 2089.2814 1950.1480 103.0494 -206248.0752 18018.2020 0.0000 0.0000 34218.6091 -149114.3334 298.8396 -183332.9426 -149016.6676 299.0612 87.0260 119.8141 557371.9858 -13.0281 -13.2326 PRESSURE: 4674600 -232.387 -148.411 -86.602 -148.412 -198.774 19.0558 -86.6016 19.0567 -344.184 GPRESSURE: 4674600 -203.331 -64.9981 -94.3696 -160.799 -169.949 4.01595 -170.021 -23.1259 -307.152 PRESSAVG: 4674600 -4.32218 7.38592 -38.9349 7.38603 84.9684 40.4593 -38.9349 40.4593 -39.8835 GPRESSAVG: 4674600 -5.67602 7.23389 -38.3576 9.69871 86.2057 37.0252 -41.2763 41.7377 -39.9034 TIMING: 4674600 CPU: 13531.8, 0.00290026/step Wall: 13531.8, 0.00290026/step, 0.262151 hours remaining, 211.140625 MB of memory in use. ENERGY: 4674600 720.0401 2081.0298 1930.8723 104.8099 -205387.1482 17306.4334 0.0000 0.0000 34276.7333 -148967.2294 299.3472 -183243.9628 -148867.8996 299.6132 -258.4480 -226.8105 559617.4586 13.5876 13.5421 PRESSURE: 4674800 -88.2211 124.938 -24.1821 124.938 -165.518 -76.8392 -24.182 -76.8385 -248.549 GPRESSURE: 4674800 -19.5452 108.068 59.8335 163.864 -170.406 -88.6775 -75.7075 -173.053 -199.667 PRESSAVG: 4674800 37.1132 -13.7351 -46.511 -13.7351 83.5067 -5.7981 -46.5109 -5.79803 -109.019 GPRESSAVG: 4674800 37.4197 -13.0775 -45.5292 -14.4961 82.4629 -2.65956 -47.77 -7.05384 -108.169 TIMING: 4674800 CPU: 13532.4, 0.00291863/step Wall: 13532.4, 0.00291863/step, 0.263649 hours remaining, 211.140625 MB of memory in use. ENERGY: 4674800 716.6282 2077.8406 1941.2107 117.0244 -205639.9445 17538.9500 0.0000 0.0000 34353.8629 -148894.4276 300.0208 -183248.2905 -148802.8193 299.6522 -167.4296 -129.8728 559983.4651 3.8670 3.9047 PRESSURE: 4675000 -79.9186 -68.0092 6.22573 -68.009 54.6038 -87.9263 6.22595 -87.9261 192.24 GPRESSURE: 4675000 -49.2912 -20.9117 30.2218 -146.456 59.7736 3.49648 1.32172 -65.3527 254.194 PRESSAVG: 4675000 32.3181 69.3132 0.407089 69.3132 -81.8644 16.6749 0.40718 16.6749 35.6779 GPRESSAVG: 4675000 31.6963 70.4807 -1.30179 69.834 -81.6644 16.4842 2.70329 14.5809 35.9005 TIMING: 4675000 CPU: 13532.9, 0.00292497/step Wall: 13532.9, 0.00292497/step, 0.26406 hours remaining, 211.140625 MB of memory in use. ENERGY: 4675000 726.2982 2085.2748 1929.9249 109.2881 -206207.0232 17933.9269 0.0000 0.0000 34586.3599 -148835.9504 302.0513 -183422.3103 -148738.6650 300.1898 55.6416 88.2256 556915.8840 -4.6228 -4.6892 PRESSURE: 4675200 -82.3862 -116.29 128.189 -116.29 -140.258 116.025 128.188 116.024 -146.698 GPRESSURE: 4675200 -84.2017 -77.2438 163.017 -117.075 -134.693 53.4171 101.43 91.9086 -48.0364 PRESSAVG: 4675200 -26.6648 4.60309 -12.6794 4.60305 40.7104 -22.5611 -12.6794 -22.5609 28.541 GPRESSAVG: 4675200 -25.7523 3.39005 -8.64046 1.10428 40.4639 -23.2732 -14.2232 -20.8941 27.2658 TIMING: 4675200 CPU: 13533.5, 0.00293009/step Wall: 13533.5, 0.00293009/step, 0.264359 hours remaining, 211.140625 MB of memory in use. ENERGY: 4675200 749.9733 2099.8193 1917.0022 123.6405 -205531.9948 17536.5976 0.0000 0.0000 34009.8170 -149095.1448 297.0162 -183104.9618 -149003.3723 299.7545 -123.1139 -88.9769 557376.7286 14.1955 13.9925 PRESSURE: 4675400 -227.883 52.1627 -176.991 52.1621 -147.755 134.102 -176.991 134.102 -209.957 GPRESSURE: 4675400 -253.577 17.8881 -101.441 68.031 -105.255 162.587 -186.29 105.751 -137.322 PRESSAVG: 4675400 -46.7711 -20.8057 11.0825 -20.8059 10.2736 51.8234 11.0826 51.8234 16.6146 GPRESSAVG: 4675400 -46.061 -21.4461 10.8801 -18.393 9.61005 52.7025 11.4195 52.6023 16.3185 TIMING: 4675400 CPU: 13534.1, 0.00292454/step Wall: 13534.1, 0.00292454/step, 0.263696 hours remaining, 211.140625 MB of memory in use. ENERGY: 4675400 744.9608 2101.5813 1926.8917 103.4036 -205751.8813 17341.7278 0.0000 0.0000 34347.5263 -149185.7899 299.9655 -183533.3162 -149087.8538 299.5261 -195.1983 -165.3847 558415.0219 -6.6276 -6.7108 PRESSURE: 4675600 228.648 148.713 1.97182 148.713 101.041 -51.7928 1.97201 -51.7928 56.8657 GPRESSURE: 4675600 247.404 136.442 36.8655 156.384 102.479 -172.619 -46.0833 45.4864 126.626 PRESSAVG: 4675600 -23.6983 2.59336 -31.8026 2.59339 20.1645 9.25937 -31.8027 9.25931 -33.2837 GPRESSAVG: 4675600 -23.1781 3.3934 -32.7658 3.03798 20.9887 9.00577 -30.4941 7.87488 -34.575 TIMING: 4675600 CPU: 13534.7, 0.00293062/step Wall: 13534.7, 0.00293062/step, 0.264081 hours remaining, 211.140625 MB of memory in use. ENERGY: 4675600 757.8286 2059.3538 1954.6625 115.3679 -206483.7471 17894.0280 0.0000 0.0000 34616.9707 -149085.5356 302.3186 -183702.5063 -148993.4810 299.3826 128.8514 158.8362 556622.3567 -12.2725 -12.2548 PRESSURE: 4675800 14.4301 -64.3259 -93.7146 -64.3269 -73.3827 17.4513 -93.7147 17.4515 -291.258 GPRESSURE: 4675800 34.9503 -3.45314 -66.9267 -79.0847 -72.4067 39.5106 -185.625 -24.2675 -217.919 PRESSAVG: 4675800 42.2016 48.604 22.9509 48.604 -52.6661 39.4166 22.9508 39.4166 43.1848 GPRESSAVG: 4675800 40.6037 47.2869 23.1753 48.8373 -53.0489 39.3081 20.7319 41.4005 45.2752 TIMING: 4675800 CPU: 13535.3, 0.00292863/step Wall: 13535.3, 0.00292863/step, 0.263739 hours remaining, 211.140625 MB of memory in use. ENERGY: 4675800 739.2896 2073.1249 1958.5729 106.6918 -205957.3744 17695.0201 0.0000 0.0000 34061.8146 -149322.8605 297.4703 -183384.6751 -149226.0182 299.6927 -116.7369 -85.1251 558282.6517 10.9067 10.9433 PRESSURE: 4676000 -419.161 111.225 -14.9948 111.225 -222.879 251.933 -14.9954 251.934 -529.729 GPRESSURE: 4676000 -374.107 134.238 115.134 147.766 -204.722 160.609 -109.671 285.761 -487.674 PRESSAVG: 4676000 -112.862 21.029 -34.4385 21.0291 52.6369 75.2469 -34.4386 75.2468 -21.0897 GPRESSAVG: 4676000 -112.118 23.6985 -34.8256 20.6546 53.4091 77.71 -33.4586 73.0094 -22.7029 TIMING: 4676000 CPU: 13535.9, 0.00289783/step Wall: 13535.9, 0.00289783/step, 0.260804 hours remaining, 211.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4676000 785.3911 2095.1688 1937.6756 117.6438 -205528.9376 17266.4984 0.0000 0.0000 33959.4065 -149367.1534 296.5759 -183326.5599 -149258.6911 299.2398 -390.5895 -355.5009 558666.5166 -27.1048 -27.1374 PRESSURE: 4676200 -75.4368 -27.5091 26.1684 -27.5085 -9.76149 72.3909 26.1687 72.3901 -37.2235 GPRESSURE: 4676200 -0.0992968 -74.9511 49.8536 97.1876 -7.4324 -3.24543 -35.7172 89.7519 -22.9357 PRESSAVG: 4676200 17.7557 67.4618 -4.96871 67.4617 -5.29828 35.3977 -4.96853 35.3978 -53.0276 GPRESSAVG: 4676200 17.9404 65.2387 -4.49904 67.2638 -5.09778 33.8246 -4.45651 34.9949 -53.4619 TIMING: 4676200 CPU: 13536.4, 0.0029046/step Wall: 13536.4, 0.0029046/step, 0.261253 hours remaining, 211.140625 MB of memory in use. ENERGY: 4676200 760.0754 2046.6743 1937.8606 122.1589 -206424.9144 17822.9000 0.0000 0.0000 34286.0152 -149449.2300 299.4283 -183735.2452 -149353.2267 299.0849 -40.8073 -10.1558 557595.1717 -13.5234 -13.5398 LDB: ============= START OF LOAD BALANCING ============== 13539.8 LDB: ============== END OF LOAD BALANCING =============== 13539.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13539.8 LDB: ============= START OF LOAD BALANCING ============== 13540.1 LDB: Largest compute 4773 load 0.028959 is 24.6% of average load 0.117927 LDB: Average compute 0.001738 is 1.5% of average load 0.117927 LDB: TIME 13540.1 LOAD: AVG 0.117927 MAX 0.179737 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.371 MB LDB: TIME 13540.1 LOAD: AVG 0.117927 MAX 0.179737 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.574 MB LDB: TIME 13540.1 LOAD: AVG 0.117927 MAX 0.179737 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13540.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13540.1 PRESSURE: 4676400 -328.803 -56.7197 -133.719 -56.7191 -95.9726 77.7563 -133.72 77.7566 73.5288 GPRESSURE: 4676400 -325.343 -20.1984 -96.5047 -112.241 -13.8899 21.774 -146.547 152.373 93.0417 PRESSAVG: 4676400 68.7906 15.8884 19.64 15.8884 61.4828 -64.9912 19.64 -64.9912 -115.099 GPRESSAVG: 4676400 67.1498 16.7931 18.3104 14.5991 62.1445 -65.7546 21.3208 -63.0067 -114.549 TIMING: 4676400 CPU: 13537, 0.0029639/step Wall: 13537, 0.0029639/step, 0.266422 hours remaining, 210.882812 MB of memory in use. ENERGY: 4676400 795.4725 2079.8786 1954.1529 120.1895 -206095.1017 17726.4023 0.0000 0.0000 34175.5811 -149243.4248 298.4639 -183419.0060 -149135.1043 299.0704 -117.0823 -82.0636 558144.8112 5.0582 4.9150 PRESSURE: 4676600 127.515 120.914 -165.936 120.914 -147.549 -68.505 -165.935 -68.5048 -243.28 GPRESSURE: 4676600 169.954 76.6589 -87.2996 163.037 -109.027 -40.8755 -135.576 -71.1982 -224.952 PRESSAVG: 4676600 26.8813 31.1698 -41.7452 31.1699 -31.5631 -9.15663 -41.7452 -9.15649 -6.06879 GPRESSAVG: 4676600 28.507 29.0496 -39.5977 32.0998 -32.5764 -7.93517 -42.1428 -11.089 -6.63869 TIMING: 4676600 CPU: 13537.6, 0.00290548/step Wall: 13537.6, 0.00290548/step, 0.261009 hours remaining, 210.882812 MB of memory in use. ENERGY: 4676600 773.0127 2114.1179 1948.3201 117.9776 -206525.6914 17914.8238 0.0000 0.0000 34356.8602 -149300.5791 300.0470 -183657.4393 -149208.8930 299.2907 -87.7711 -54.6749 557536.0220 -3.5835 -3.5694 PRESSURE: 4676800 -27.1563 12.6221 -72.1332 12.6222 -109.018 25.0898 -72.1335 25.0919 27.4131 GPRESSURE: 4676800 -45.7087 -7.30391 -26.312 -44.3601 -33.072 51.1409 64.6707 -70.1066 60.4482 PRESSAVG: 4676800 41.3301 1.64576 -2.93153 1.64579 -3.07267 -4.24557 -2.93148 -4.24544 -46.5663 GPRESSAVG: 4676800 40.4979 3.89129 -3.03525 0.445613 -2.77377 -6.10829 -5.04475 -4.12121 -45.8893 TIMING: 4676800 CPU: 13538.2, 0.00289559/step Wall: 13538.2, 0.00289559/step, 0.25996 hours remaining, 210.882812 MB of memory in use. ENERGY: 4676800 735.3649 2118.3253 1924.9978 105.2210 -206161.4962 17784.1395 0.0000 0.0000 34360.7779 -149132.6697 300.0812 -183493.4476 -149039.5869 299.4847 -36.2537 -6.1108 558377.9334 -2.7696 -2.7217 PRESSURE: 4677000 37.9019 -61.8786 -130.231 -61.8777 -376.321 -50.2736 -130.231 -50.2741 7.33533 GPRESSURE: 4677000 53.4488 -15.1959 -192.18 -102.724 -285.764 23.5862 -96.6416 0.415705 -2.32541 PRESSAVG: 4677000 52.795 -63.9107 -30.5695 -63.9106 32.1265 35.323 -30.5695 35.323 -48.0592 GPRESSAVG: 4677000 52.7244 -64.5876 -33.3512 -63.5 32.0354 35.3719 -27.8584 37.0487 -47.849 TIMING: 4677000 CPU: 13538.8, 0.00289609/step Wall: 13538.8, 0.00289609/step, 0.259844 hours remaining, 210.882812 MB of memory in use. ENERGY: 4677000 745.7167 2147.2396 1932.5569 118.2181 -205780.5648 17600.5160 0.0000 0.0000 34405.1007 -148831.2168 300.4683 -183236.3174 -148734.7688 300.2893 -110.3614 -78.2137 557262.2626 12.2874 12.3036 PRESSURE: 4677200 -227.664 249.424 -46.5581 249.424 -30.1879 123.916 -46.5584 123.917 -162.772 GPRESSURE: 4677200 -158.329 261.899 -122.037 179.466 -15.776 3.28653 -11.2265 261.984 -168.005 PRESSAVG: 4677200 35.6195 23.9605 -37.3605 23.9605 -19.5638 -6.72334 -37.3607 -6.72335 -47.0975 GPRESSAVG: 4677200 36.222 23.8214 -33.6193 23.376 -18.9225 -6.62245 -39.0918 -8.1448 -48.0317 TIMING: 4677200 CPU: 13539.4, 0.0028906/step Wall: 13539.4, 0.0028906/step, 0.259191 hours remaining, 210.882812 MB of memory in use. ENERGY: 4677200 712.9025 2119.6936 1950.6716 115.3014 -205670.1509 17427.5651 0.0000 0.0000 34315.7501 -149028.2665 299.6880 -183344.0166 -148926.4011 299.8361 -140.2079 -114.0365 557738.7761 -10.3473 -10.2441 PRESSURE: 4677400 119.555 51.2404 -56.5733 51.2396 45.1389 22.3051 -56.573 22.3045 32.0205 GPRESSURE: 4677400 135.282 84.4158 -27.4281 16.6353 93.8251 45.6997 -95.6707 49.7815 66.2454 PRESSAVG: 4677400 26.4098 5.9345 -17.9473 5.93447 -10.5092 62.8882 -17.9474 62.8883 -25.8208 GPRESSAVG: 4677400 25.5745 5.72251 -19.2275 5.51448 -10.0219 62.7555 -18.3844 62.6757 -25.3483 TIMING: 4677400 CPU: 13539.9, 0.00292739/step Wall: 13539.9, 0.00292739/step, 0.262326 hours remaining, 210.882812 MB of memory in use. ENERGY: 4677400 741.4702 2075.6018 1957.5783 111.2023 -206498.6806 17964.9442 0.0000 0.0000 34547.2311 -149100.6528 301.7096 -183647.8839 -149005.8013 300.3966 65.5714 98.4510 557754.0736 -3.3067 -3.2652 PRESSURE: 4677600 58.9804 125.293 -69.2568 125.293 -81.9422 20.3523 -69.2592 20.3541 -200.667 GPRESSURE: 4677600 58.6038 114.323 -78.0083 142.889 -66.6456 43.8592 -12.8187 -33.7882 -132.245 PRESSAVG: 4677600 6.3007 1.79873 18.6997 1.79883 18.3668 3.36993 18.6997 3.37 -38.0884 GPRESSAVG: 4677600 5.99804 0.8426 19.5164 3.31029 18.2009 4.89828 19.4219 3.81779 -37.2445 TIMING: 4677600 CPU: 13540.5, 0.00293007/step Wall: 13540.5, 0.00293007/step, 0.262404 hours remaining, 210.882812 MB of memory in use. ENERGY: 4677600 751.1699 2072.8092 1977.8295 113.8883 -206280.6223 17765.6539 0.0000 0.0000 34449.4648 -149149.8067 300.8557 -183599.2715 -149054.6724 300.1130 -74.5429 -46.7622 557254.6535 -4.4736 -4.3485 PRESSURE: 4677800 398.178 160.564 131.503 160.565 237.372 -36.7163 131.502 -36.7151 273.444 GPRESSURE: 4677800 427.738 97.8442 108.909 138.376 247.893 -37.718 99.6134 -55.5491 328.495 PRESSAVG: 4677800 7.40412 -2.13737 22.8727 -2.13737 15.9492 -37.5574 22.8726 -37.5573 -51.6144 GPRESSAVG: 4677800 7.46984 -2.12447 21.813 -2.52034 16.274 -38.6714 24.2057 -36.0648 -51.7374 TIMING: 4677800 CPU: 13541.1, 0.00291346/step Wall: 13541.1, 0.00291346/step, 0.260754 hours remaining, 210.882812 MB of memory in use. ENERGY: 4677800 750.6549 2078.3931 2006.1763 108.0647 -206441.5067 18191.0724 0.0000 0.0000 34285.6685 -149021.4767 299.4253 -183307.1452 -148925.6136 300.1019 302.9981 334.7085 555718.4120 -9.4204 -9.3312 PRESSURE: 4678000 44.5019 80.8884 13.7117 80.8872 13.5703 -119.244 13.7119 -119.244 -237.915 GPRESSURE: 4678000 82.6395 154.743 -20.7396 -43.0938 34.6898 -116.138 25.139 -67.7513 -199.28 PRESSAVG: 4678000 42.2262 -4.53867 -21.138 -4.53859 41.4159 -11.0614 -21.138 -11.0612 -29.1871 GPRESSAVG: 4678000 42.4224 -2.91936 -22.6058 -6.73466 41.0434 -14.2545 -22.1625 -8.88801 -29.0747 TIMING: 4678000 CPU: 13541.7, 0.00289693/step Wall: 13541.7, 0.00289693/step, 0.259115 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4678000 772.0952 2043.1319 1980.0040 117.7976 -206043.8490 17658.5403 0.0000 0.0000 34313.9288 -149158.3513 299.6721 -183472.2801 -149057.9839 300.1307 -59.9477 -27.3169 555630.9181 18.1517 18.1304 PRESSURE: 4678200 -12.1752 -125.842 50.9145 -125.842 -58.5359 -272.654 50.9136 -272.653 -199.662 GPRESSURE: 4678200 35.7264 -83.1568 44.0941 -208.479 -36.395 -196.52 12.3424 -304.535 -170.182 PRESSAVG: 4678200 -11.3745 7.9038 22.1996 7.9038 22.2466 3.38845 22.1995 3.38853 -49.0449 GPRESSAVG: 4678200 -9.9165 7.18558 23.4217 10.8596 21.2244 6.37134 22.6575 0.679959 -49.5534 TIMING: 4678200 CPU: 13542.3, 0.00290284/step Wall: 13542.3, 0.00290284/step, 0.259482 hours remaining, 210.882812 MB of memory in use. ENERGY: 4678200 745.4560 2103.7008 1962.1570 121.3930 -206169.3267 17682.6022 0.0000 0.0000 34399.9253 -149154.0925 300.4231 -183554.0178 -149058.3345 299.2937 -90.1244 -56.9501 555903.8715 -12.7243 -12.7485 PRESSURE: 4678400 -59.4568 -161.064 39.2332 -161.065 291.007 -75.0514 39.2339 -75.0509 133.827 GPRESSURE: 4678400 -20.9893 -129.254 81.5938 -167.676 298.502 -79.3548 -1.64811 -8.59546 176.377 PRESSAVG: 4678400 38.7243 -58.942 67.2618 -58.9421 -15.8465 -31.6841 67.2618 -31.684 -39.3574 GPRESSAVG: 4678400 37.7743 -57.8182 66.9452 -60.7912 -15.4534 -31.2942 67.7503 -31.5057 -38.8417 TIMING: 4678400 CPU: 13542.9, 0.00291204/step Wall: 13542.9, 0.00291204/step, 0.260142 hours remaining, 210.882812 MB of memory in use. ENERGY: 4678400 700.2418 2127.5286 1954.9895 114.8019 -206105.1335 17747.0173 0.0000 0.0000 34299.6257 -149160.9287 299.5472 -183460.5544 -149065.8206 299.9168 121.7924 151.2964 556672.2713 -5.4932 -5.5069 PRESSURE: 4678600 183.282 -123.863 45.2448 -123.863 -180.899 149.611 45.246 149.613 18.7304 GPRESSURE: 4678600 188.415 -62.2562 147.999 -152.322 -116.417 185.749 28.3008 122.951 64.0999 PRESSAVG: 4678600 24.4722 65.2012 69.042 65.2012 1.13201 21.5494 69.042 21.5495 12.2425 GPRESSAVG: 4678600 25.8992 64.9349 68.1873 66.3435 0.218878 20.4257 68.7401 19.9592 12.1788 TIMING: 4678600 CPU: 13543.4, 0.00293354/step Wall: 13543.4, 0.00293354/step, 0.2619 hours remaining, 210.882812 MB of memory in use. ENERGY: 4678600 763.5978 2084.1154 1946.9305 110.7829 -206507.0419 17756.2739 0.0000 0.0000 34517.1479 -149328.1936 301.4468 -183845.3415 -149223.7992 300.0344 7.0377 45.3659 555717.8123 12.6155 12.7656 PRESSURE: 4678800 4.941 68.663 -61.4788 68.664 0.971594 -70.179 -61.4781 -70.1799 83.2288 GPRESSURE: 4678800 48.2147 78.6186 -120.143 20.4035 13.8101 -84.0691 -87.8259 -25.2996 121.787 PRESSAVG: 4678800 13.352 -13.0535 15.1607 -13.0535 9.0283 16.8772 15.1608 16.8772 -18.9178 GPRESSAVG: 4678800 12.9917 -10.9714 15.7126 -14.3477 10.1018 18.1406 14.6171 17.5326 -19.4771 TIMING: 4678800 CPU: 13544, 0.00291622/step Wall: 13544, 0.00291622/step, 0.260192 hours remaining, 210.882812 MB of memory in use. ENERGY: 4678800 764.9224 2135.5589 1940.6177 109.5587 -206185.8203 17775.6057 0.0000 0.0000 34210.4259 -149249.1310 298.7682 -183459.5569 -149149.1148 299.9610 29.7138 61.2705 557507.7021 1.1541 1.2055 PRESSURE: 4679000 281.249 -40.5144 -90.6381 -40.5142 180.727 154.916 -90.6385 154.918 25.7648 GPRESSURE: 4679000 338.389 -42.9696 -78.2665 -41.7766 251.913 189.653 -43.2387 168.398 11.7086 PRESSAVG: 4679000 5.89119 -21.8966 -5.08043 -21.8967 33.3293 33.7865 -5.08053 33.7865 30.2612 GPRESSAVG: 4679000 5.69396 -21.8838 -6.16852 -21.4502 34.2948 32.0275 -3.22213 34.3512 29.2719 TIMING: 4679000 CPU: 13544.6, 0.00291455/step Wall: 13544.6, 0.00291455/step, 0.259881 hours remaining, 210.882812 MB of memory in use. ENERGY: 4679000 736.7338 2101.6024 1962.2870 107.2297 -206648.7204 18081.1591 0.0000 0.0000 34356.3361 -149303.3723 300.0424 -183659.7084 -149205.2142 299.7689 162.5802 200.6701 554858.6695 23.1606 23.0869 PRESSURE: 4679200 -18.7967 -182.938 -18.2735 -182.938 84.0882 179.327 -18.2726 179.328 -54.5763 GPRESSURE: 4679200 -3.19394 -166.812 -68.3956 -216.438 154.246 214.944 -33.8943 144.427 -34.8624 PRESSAVG: 4679200 21.2068 2.8976 -21.8913 2.89755 12.9851 42.1923 -21.8914 42.1924 -19.996 GPRESSAVG: 4679200 21.4575 1.14561 -21.2136 1.90855 11.6699 42.3799 -23.7347 40.243 -18.7428 TIMING: 4679200 CPU: 13545.2, 0.00292573/step Wall: 13545.2, 0.00292573/step, 0.260715 hours remaining, 210.882812 MB of memory in use. ENERGY: 4679200 763.4494 2070.7356 1961.7058 110.5955 -206424.9192 17881.9970 0.0000 0.0000 34154.3272 -149482.1088 298.2782 -183636.4359 -149386.2653 298.5297 3.5717 38.7297 557311.5287 4.7320 4.7949 PRESSURE: 4679400 -24.3359 65.1954 -49.1396 65.1961 196.95 2.9126 -49.1391 2.912 -204.084 GPRESSURE: 4679400 9.97191 25.8635 -46.0026 -4.63295 197.046 -81.8332 -54.4455 -18.0877 -137.947 PRESSAVG: 4679400 -9.82195 -29.0966 17.8406 -29.0965 -10.816 16.4049 17.8406 16.4048 -28.0951 GPRESSAVG: 4679400 -10.234 -31.177 19.0804 -26.4092 -10.0721 15.4328 18.0838 18.3282 -28.4857 TIMING: 4679400 CPU: 13545.8, 0.00293643/step Wall: 13545.8, 0.00293643/step, 0.261506 hours remaining, 210.882812 MB of memory in use. ENERGY: 4679400 749.9316 2070.2402 1924.8908 111.9506 -206587.8253 17942.2007 0.0000 0.0000 34287.7210 -149500.8906 299.4432 -183788.6116 -149406.9608 297.8823 -10.4901 23.0237 557851.5507 -16.2444 -16.2639 PRESSURE: 4679600 -49.3388 -63.7027 8.9981 -63.703 -47.814 161.31 8.99766 161.31 177.686 GPRESSURE: 4679600 16.0739 -51.8627 37.6171 -165.564 -39.8952 191.388 -19.7355 181.301 204.004 PRESSAVG: 4679600 -46.0323 15.138 -25.6181 15.1379 20.7502 28.4152 -25.6182 28.4153 16.9462 GPRESSAVG: 4679600 -44.6488 17.843 -26.3719 13.6738 19.1564 31.214 -25.1348 29.3038 17.0079 TIMING: 4679600 CPU: 13546.4, 0.0029156/step Wall: 13546.4, 0.0029156/step, 0.259488 hours remaining, 210.882812 MB of memory in use. ENERGY: 4679600 712.5841 2078.0057 1941.6103 108.0660 -206201.0980 17731.6743 0.0000 0.0000 34116.1216 -149513.0361 297.9446 -183629.1577 -149420.0001 297.9471 26.8444 60.0609 557080.8774 -2.7786 -2.8282 PRESSURE: 4679800 173.816 24.5605 15.621 24.5604 6.2927 103.006 15.6214 103.006 147.557 GPRESSURE: 4679800 123.857 -81.6099 -69.6497 -62.7645 51.6149 108.162 77.7641 105.425 236.32 PRESSAVG: 4679800 -45.1456 3.07422 4.71107 3.07417 -32.4947 65.358 4.71109 65.3581 33.4926 GPRESSAVG: 4679800 -46.2936 1.5987 3.36479 3.42865 -32.622 63.5207 5.59833 64.3006 33.8945 TIMING: 4679800 CPU: 13546.9, 0.00293607/step Wall: 13546.9, 0.00293607/step, 0.261147 hours remaining, 210.882812 MB of memory in use. ENERGY: 4679800 743.4028 2054.7989 1929.4986 110.9828 -206175.9379 17684.3140 0.0000 0.0000 34084.1192 -149568.8216 297.6651 -183652.9407 -149473.7500 298.1316 109.2220 137.2639 556859.4787 -14.7159 -15.0070 PRESSURE: 4680000 -44.441 -143.578 -16.1551 -143.577 -163.836 154.802 -16.1552 154.801 -189.431 GPRESSURE: 4680000 30.2832 -103.635 -12.166 -120.482 -161.296 72.1299 20.9799 204.937 -170.245 PRESSAVG: 4680000 -4.22865 17.4504 33.183 17.4504 39.3951 33.103 33.183 33.103 -19.1722 GPRESSAVG: 4680000 -5.19936 17.4866 34.0598 17.3494 39.1504 32.9783 33.2676 33.3034 -18.5725 TIMING: 4680000 CPU: 13547.5, 0.00293152/step Wall: 13547.5, 0.00293152/step, 0.26058 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4680000 769.4030 2097.7779 1932.8916 124.2923 -206390.2327 17754.8078 0.0000 0.0000 34287.7139 -149423.3462 299.4431 -183711.0601 -149329.5839 298.0247 -132.5693 -100.4195 556788.3655 5.3314 5.1262 PRESSURE: 4680200 -301.257 -117.415 32.2408 -117.414 90.3064 161.171 32.2408 161.172 -108.187 GPRESSURE: 4680200 -256.822 -69.8637 115.814 -196.574 99.9857 167.651 14.43 277.294 -60.0125 PRESSAVG: 4680200 -29.4523 26.138 78.1903 26.1379 149.589 43.7698 78.1903 43.7699 -71.4058 GPRESSAVG: 4680200 -27.9789 27.0768 78.8099 25.4824 150.224 44.4005 76.5562 42.4776 -73.3746 TIMING: 4680200 CPU: 13548.1, 0.00291454/step Wall: 13548.1, 0.00291454/step, 0.258908 hours remaining, 210.882812 MB of memory in use. ENERGY: 4680200 734.0956 2080.2821 1939.4162 114.3292 -206072.5825 17596.4619 0.0000 0.0000 34096.3013 -149511.6962 297.7715 -183607.9975 -149412.5919 298.2784 -106.3791 -72.2831 556617.1043 16.2436 16.2902 LDB: ============= START OF LOAD BALANCING ============== 13551.5 LDB: ============== END OF LOAD BALANCING =============== 13551.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13551.5 LDB: ============= START OF LOAD BALANCING ============== 13551.8 LDB: Largest compute 4773 load 0.027840 is 23.6% of average load 0.118014 LDB: Average compute 0.001724 is 1.5% of average load 0.118014 LDB: TIME 13551.8 LOAD: AVG 0.118014 MAX 0.181285 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.141 MB LDB: TIME 13551.8 LOAD: AVG 0.118014 MAX 0.181285 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.141 MB LDB: TIME 13551.8 LOAD: AVG 0.118014 MAX 0.181285 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13551.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13551.8 PRESSURE: 4680400 89.8215 77.1264 69.3623 77.1274 278.53 181.041 69.3629 181.042 -51.7646 GPRESSURE: 4680400 98.2745 67.0658 35.9316 106.062 291.138 236.923 95.2346 152.608 34.2783 PRESSAVG: 4680400 -69.1789 27.0236 17.9244 27.0234 59.7731 65.6394 17.9243 65.6394 6.19687 GPRESSAVG: 4680400 -71.0039 27.3643 19.098 27.2687 59.3088 66.7965 17.4761 67.6668 8.13953 TIMING: 4680400 CPU: 13548.7, 0.00299037/step Wall: 13548.7, 0.00299037/step, 0.265478 hours remaining, 210.882812 MB of memory in use. ENERGY: 4680400 698.8725 2134.1236 1960.8885 117.1467 -206425.5060 17808.4631 0.0000 0.0000 34272.5741 -149433.4374 299.3109 -183706.0115 -149333.6653 298.8524 105.5289 141.2304 556707.7192 -1.0696 -1.1852 PRESSURE: 4680600 -389.046 27.4793 -180.43 27.4802 -94.5694 -254.258 -180.43 -254.258 -229.244 GPRESSURE: 4680600 -345.197 93.1734 -134.975 -19.7857 -82.9263 -146.762 -174.333 -304.139 -187.71 PRESSAVG: 4680600 -32.7206 -48.0641 0.451325 -48.064 103.188 -21.6936 0.451291 -21.6936 -60.1264 GPRESSAVG: 4680600 -31.344 -48.5616 -1.98608 -48.3836 103.319 -23.634 1.86068 -22.5749 -61.2816 TIMING: 4680600 CPU: 13549.3, 0.00291924/step Wall: 13549.3, 0.00291924/step, 0.259001 hours remaining, 210.882812 MB of memory in use. ENERGY: 4680600 741.8374 2079.8482 1919.6514 105.6865 -206012.0812 17623.2381 0.0000 0.0000 34163.4446 -149378.3749 298.3579 -183541.8196 -149284.0069 298.3954 -237.6199 -205.2778 559419.8502 3.4469 3.5646 PRESSURE: 4680800 80.4779 -47.1192 -68.0714 -47.1186 56.8936 157.107 -68.0719 157.105 -408.47 GPRESSURE: 4680800 83.7587 -132.005 -18.1959 -37.9379 79.9383 208.727 -24.6814 49.0871 -339.999 PRESSAVG: 4680800 -64.9704 -3.725 -40.17 -3.72503 82.4522 28.7583 -40.1699 28.7583 -44.4545 GPRESSAVG: 4680800 -64.5091 -3.10064 -39.6636 -4.46227 82.4742 27.823 -41.3009 28.2182 -44.5032 TIMING: 4680800 CPU: 13549.9, 0.00289804/step Wall: 13549.9, 0.00289804/step, 0.256959 hours remaining, 210.882812 MB of memory in use. ENERGY: 4680800 709.0619 2048.5301 1943.4184 98.7917 -206043.6252 17602.9369 0.0000 0.0000 34375.5125 -149265.3737 300.2099 -183640.8861 -149172.7177 299.3758 -90.3662 -58.7673 556744.9153 -8.9909 -8.8460 PRESSURE: 4681000 30.5549 35.8909 67.7806 35.8913 26.4215 159.844 67.7805 159.844 -43.1813 GPRESSURE: 4681000 50.5587 56.5497 160.935 -15.4049 61.0423 136.499 105.823 142.335 2.94676 PRESSAVG: 4681000 52.6448 -32.9477 17.0345 -32.9477 3.57239 26.2861 17.0345 26.286 -64.2158 GPRESSAVG: 4681000 52.5072 -33.9867 19.6708 -32.8893 3.1832 28.8505 17.9568 26.0465 -63.4442 TIMING: 4681000 CPU: 13550.5, 0.00289562/step Wall: 13550.5, 0.00289562/step, 0.256584 hours remaining, 210.882812 MB of memory in use. ENERGY: 4681000 794.9432 2106.6524 1933.7633 117.2905 -206532.2021 17943.2733 0.0000 0.0000 34264.6052 -149371.6744 299.2413 -183636.2796 -149281.3155 299.0402 4.5984 38.1826 556492.4901 -2.6662 -2.5846 PRESSURE: 4681200 -270.368 83.204 -133.362 83.2021 -15.0266 36.8885 -133.361 36.8877 -264.495 GPRESSURE: 4681200 -237.814 73.6687 -157.582 95.1793 6.64981 17.9586 -125.834 91.8097 -218.143 PRESSAVG: 4681200 -38.6927 -17.065 20.4794 -17.0649 34.3727 50.7516 20.4794 50.7516 52.1877 GPRESSAVG: 4681200 -39.1553 -16.2102 17.9845 -17.8867 34.636 48.29 21.51 52.0346 52.6668 TIMING: 4681200 CPU: 13551, 0.00291266/step Wall: 13551, 0.00291266/step, 0.257933 hours remaining, 210.882812 MB of memory in use. ENERGY: 4681200 752.4843 2059.9664 1920.2845 103.6896 -205665.7052 17521.3159 0.0000 0.0000 34091.5490 -149216.4155 297.7300 -183307.9645 -149116.2052 299.1209 -183.2963 -149.7690 557237.3095 15.9559 16.0492 PRESSURE: 4681400 -22.1754 -77.5224 -195.433 -77.5219 -69.6276 -189.351 -195.432 -189.351 -277.856 GPRESSURE: 4681400 11.4988 -62.1568 -115.835 5.005 -53.2883 -241.486 -209.032 -163.606 -239.739 PRESSAVG: 4681400 14.4491 35.2402 -52.8925 35.2403 8.48095 19.7769 -52.8925 19.7768 -15.2282 GPRESSAVG: 4681400 15.397 34.5536 -52.1885 36.2435 7.85359 20.6254 -53.7383 19.0483 -16.248 TIMING: 4681400 CPU: 13551.6, 0.00293471/step Wall: 13551.6, 0.00293471/step, 0.259721 hours remaining, 210.882812 MB of memory in use. ENERGY: 4681400 734.6875 2058.7860 1920.6068 123.5812 -205806.7931 17400.6664 0.0000 0.0000 34276.3837 -149292.0817 299.3442 -183568.4653 -149196.2803 299.2195 -123.2197 -93.8427 556897.2770 2.5673 2.3342 PRESSURE: 4681600 21.088 -136.436 -19.0644 -136.436 -55.6921 202.59 -19.064 202.591 57.7931 GPRESSURE: 4681600 111.301 -210.065 18.9305 -86.6285 -63.3416 272.174 -83.2438 85.3761 85.3993 PRESSAVG: 4681600 79.5972 6.78782 -38.5333 6.78774 -31.2286 -10.0083 -38.5332 -10.0083 -70.266 GPRESSAVG: 4681600 78.9615 6.59312 -39.0355 6.18255 -31.6098 -8.05649 -39.0564 -11.7467 -70.0178 TIMING: 4681600 CPU: 13552.2, 0.00293953/step Wall: 13552.2, 0.00293953/step, 0.259985 hours remaining, 210.882812 MB of memory in use. ENERGY: 4681600 710.1495 2051.1949 1947.5072 116.2404 -206038.5447 17762.4301 0.0000 0.0000 34176.5632 -149274.4595 298.4724 -183451.0227 -149181.1633 298.1372 7.7297 44.4528 556768.0135 -7.2991 -7.5554 PRESSURE: 4681800 235.507 -89.3756 39.964 -89.3748 54.9415 -55.2647 39.9647 -55.2642 63.5375 GPRESSURE: 4681800 291.281 -96.0245 3.404 31.2963 80.6641 -58.2084 94.6875 -0.548762 91.6716 PRESSAVG: 4681800 68.3721 -73.5571 25.9022 -73.557 -60.5057 55.7571 25.9022 55.7571 12.1411 GPRESSAVG: 4681800 68.8494 -71.7926 24.9004 -73.1033 -60.6694 54.6082 27.2962 57.2106 11.9801 TIMING: 4681800 CPU: 13552.8, 0.00291872/step Wall: 13552.8, 0.00291872/step, 0.257983 hours remaining, 210.882812 MB of memory in use. ENERGY: 4681800 694.3458 2070.9740 1943.7696 100.0449 -205958.8750 17743.3213 0.0000 0.0000 34182.8980 -149223.5214 298.5278 -183406.4194 -149133.7152 299.2875 117.9954 154.5390 555889.7437 6.6692 6.7200 PRESSURE: 4682000 -164.778 -21.835 107.994 -21.835 15.847 39.9264 107.993 39.9266 -193.653 GPRESSURE: 4682000 -151.835 -45.6593 136.633 -8.13895 62.6075 44.2195 58.1214 44.4397 -150.379 PRESSAVG: 4682000 21.459 -4.28144 -42.8111 -4.2814 43.2693 23.2988 -42.811 23.2988 -27.329 GPRESSAVG: 4682000 22.3539 -4.31306 -39.083 -2.53426 42.6267 22.0383 -44.9668 21.8797 -27.1354 TIMING: 4682000 CPU: 13553.4, 0.00291949/step Wall: 13553.4, 0.00291949/step, 0.257888 hours remaining, 210.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4682000 757.9616 2066.7119 1966.4611 98.1977 -206133.2902 17722.7375 0.0000 0.0000 34343.5817 -149177.6387 299.9310 -183521.2204 -149082.9674 299.0833 -114.1947 -79.8691 557595.6252 12.4665 12.6151 PRESSURE: 4682200 234.207 91.9685 121.531 91.9686 -127.613 50.3836 121.532 50.3854 -24.45 GPRESSURE: 4682200 332.292 13.2431 149.458 181.17 -141.696 12.9515 28.0788 107.316 7.33543 PRESSAVG: 4682200 -46.8547 67.8289 50.4736 67.8291 39.8394 46.6752 50.4737 46.6751 4.77095 GPRESSAVG: 4682200 -46.3221 66.6214 46.8558 69.0013 39.9735 45.6847 52.0354 47.5779 4.32748 TIMING: 4682200 CPU: 13554, 0.00296383/step Wall: 13554, 0.00296383/step, 0.261641 hours remaining, 210.882812 MB of memory in use. ENERGY: 4682200 740.1116 2022.7979 1927.5938 104.0382 -205925.6587 17738.7507 0.0000 0.0000 34233.8403 -149158.5262 298.9726 -183392.3665 -149054.8129 299.5190 27.3814 65.9770 557405.8859 -0.7481 -0.6737 PRESSURE: 4682400 90.5257 -42.0021 -31.2094 -42.0013 -178.225 -116.407 -31.2101 -116.408 -61.611 GPRESSURE: 4682400 135.863 2.68623 49.1617 26.4579 -197.428 -56.8505 -8.5703 -100.021 14.4546 PRESSAVG: 4682400 84.623 33.4036 16.1272 33.4036 -86.6242 7.31403 16.1271 7.31405 -13.0303 GPRESSAVG: 4682400 83.5169 33.1075 17.8054 29.6613 -87.0947 9.11044 14.4247 9.86572 -12.1498 TIMING: 4682400 CPU: 13554.6, 0.00292187/step Wall: 13554.6, 0.00292187/step, 0.257774 hours remaining, 210.882812 MB of memory in use. ENERGY: 4682400 737.9941 2082.0492 1931.7682 123.4285 -206078.4134 17722.0706 0.0000 0.0000 34170.6479 -149310.4549 298.4208 -183481.1028 -149211.7698 299.0098 -49.7702 -15.7036 557455.6344 -5.0105 -5.2426 PRESSURE: 4682600 -80.2395 -148.161 -113.232 -148.16 -37.2268 88.4057 -113.232 88.4061 100.29 GPRESSURE: 4682600 -91.3779 -114.794 -91.7195 -155.922 31.127 -0.505137 -52.5608 76.2437 158.299 PRESSAVG: 4682600 -7.8375 16.6316 -20.4073 16.6317 -4.97237 -24.4733 -20.4073 -24.4734 -43.4252 GPRESSAVG: 4682600 -7.38915 17.7019 -19.4476 18.2802 -5.28727 -24.8698 -20.6129 -26.5674 -43.0108 TIMING: 4682600 CPU: 13555.1, 0.0029102/step Wall: 13555.1, 0.0029102/step, 0.256583 hours remaining, 210.882812 MB of memory in use. ENERGY: 4682600 740.0759 2101.6185 1953.3558 96.9091 -206426.1008 17989.9293 0.0000 0.0000 34211.6281 -149332.5841 298.7787 -183544.2121 -149241.2407 299.0346 -5.7255 32.6827 557834.5179 -18.7450 -18.5624 PRESSURE: 4682800 -114.792 -67.9337 110.768 -67.9326 208.836 -91.663 110.769 -91.6629 -239.063 GPRESSURE: 4682800 0.0234438 -99.0402 73.1238 -104.886 168.9 -120.602 147.923 -52.9492 -213.917 PRESSAVG: 4682800 65.4565 -14.4978 15.5318 -14.4979 -73.2838 46.618 15.5317 46.618 12.3773 GPRESSAVG: 4682800 66.3766 -14.553 17.3015 -13.9019 -72.4047 44.9625 14.3144 48.8296 10.842 TIMING: 4682800 CPU: 13555.7, 0.00289487/step Wall: 13555.7, 0.00289487/step, 0.25507 hours remaining, 211.085938 MB of memory in use. ENERGY: 4682800 755.6062 2076.4968 1948.2126 110.3843 -206358.2431 17869.2267 0.0000 0.0000 34416.7152 -149181.6014 300.5697 -183598.3165 -149085.1782 299.1673 -48.3394 -14.9979 556533.1323 1.5167 1.6046 PRESSURE: 4683000 139.267 157.273 82.9252 157.274 -68.6557 297.159 82.925 297.161 13.2195 GPRESSURE: 4683000 149.632 201.576 112.221 191.624 -67.5388 238.306 29.1405 338.238 96.8169 PRESSAVG: 4683000 8.5977 -72.471 -82.8808 -72.471 27.8174 1.54066 -82.8808 1.54052 -11.4939 GPRESSAVG: 4683000 7.29577 -73.5628 -83.7045 -73.8491 28.2522 2.74754 -82.2478 0.218118 -9.89318 TIMING: 4683000 CPU: 13556.3, 0.00289634/step Wall: 13556.3, 0.00289634/step, 0.255039 hours remaining, 211.085938 MB of memory in use. ENERGY: 4683000 758.8812 2052.1821 1946.9876 111.6870 -206403.8288 17886.6140 0.0000 0.0000 34353.0044 -149294.4725 300.0133 -183647.4769 -149197.8783 299.5746 27.9435 59.6367 556133.4923 8.3071 8.5516 PRESSURE: 4683200 -36.5255 -15.8292 -119.753 -15.8301 -64.1759 62.7719 -119.753 62.7709 -318.945 GPRESSURE: 4683200 74.9135 -77.4584 -98.8545 -33.4548 -119.776 64.9865 -121.236 22.4975 -278.331 PRESSAVG: 4683200 60.9188 -18.5296 16.6544 -18.5296 -20.0854 17.8986 16.6543 17.8986 -27.6631 GPRESSAVG: 4683200 61.2337 -17.8002 15.6221 -18.1849 -19.8735 17.7236 17.9248 17.9156 -28.156 TIMING: 4683200 CPU: 13556.9, 0.00291556/step Wall: 13556.9, 0.00291556/step, 0.256569 hours remaining, 211.085938 MB of memory in use. ENERGY: 4683200 778.2436 2009.2162 1931.4021 102.2664 -205808.4098 17456.5782 0.0000 0.0000 34239.1525 -149291.5509 299.0190 -183530.7033 -149195.2133 299.6190 -139.8821 -107.7311 557019.8565 4.3901 4.4014 PRESSURE: 4683400 -43.525 -31.2963 86.7757 -31.296 -99.1875 81.3636 86.7753 81.3628 238.327 GPRESSURE: 4683400 -2.99343 -22.0466 95.9536 33.3437 -74.1057 54.8849 36.5439 89.4924 275.54 PRESSAVG: 4683400 52.1706 25.6975 -8.26305 25.6974 -55.0174 -34.3424 -8.26301 -34.3424 0.417962 GPRESSAVG: 4683400 52.9468 27.2 -8.65138 24.3794 -55.0673 -33.918 -7.32546 -34.5352 0.548496 TIMING: 4683400 CPU: 13557.5, 0.00291936/step Wall: 13557.5, 0.00291936/step, 0.256742 hours remaining, 211.085938 MB of memory in use. ENERGY: 4683400 767.3377 2090.1133 1921.9415 110.9578 -206584.9640 17988.9320 0.0000 0.0000 34380.4271 -149325.2547 300.2528 -183705.6817 -149237.2808 299.6463 31.8714 66.1471 555649.6326 -0.8096 -0.5240 PRESSURE: 4683600 -298.357 -67.0156 -121.752 -67.0147 -259.205 63.0452 -121.754 63.0458 -280.478 GPRESSURE: 4683600 -301.503 -1.4665 -158.357 -130.026 -179.652 85.0696 -86.3881 39.3375 -272.777 PRESSAVG: 4683600 -4.0953 -54.6442 -50.879 -54.6441 -23.9095 -9.71256 -50.879 -9.71245 39.7641 GPRESSAVG: 4683600 -5.41009 -55.499 -52.2606 -52.4735 -24.4263 -7.99813 -51.4977 -11.5407 41.3517 TIMING: 4683600 CPU: 13558, 0.0029058/step Wall: 13558, 0.0029058/step, 0.255387 hours remaining, 211.085938 MB of memory in use. ENERGY: 4683600 788.0199 2127.6163 1901.2175 113.0065 -205770.4857 17349.6731 0.0000 0.0000 34395.2210 -149095.7314 300.3820 -183490.9523 -148985.7450 300.2736 -279.3466 -251.3105 557045.9871 3.9198 3.8384 PRESSURE: 4683800 105.444 138.377 29.3647 138.377 24.9413 24.5506 29.3634 24.5497 -33.1318 GPRESSURE: 4683800 112.233 149.332 17.9696 61.232 28.0369 2.40126 88.5281 -11.6381 50.2085 PRESSAVG: 4683800 -69.021 5.60727 16.7461 5.60726 21.8942 14.1719 16.7461 14.1719 -2.23197 GPRESSAVG: 4683800 -67.7285 5.16836 16.2602 4.74721 21.6673 11.8951 19.0634 17.4242 -2.814 TIMING: 4683800 CPU: 13558.6, 0.00292517/step Wall: 13558.6, 0.00292517/step, 0.256927 hours remaining, 211.085938 MB of memory in use. ENERGY: 4683800 764.3326 2076.4922 1924.1764 104.0589 -205769.5931 17724.9224 0.0000 0.0000 34238.3531 -148937.2575 299.0121 -183175.6106 -148837.0414 299.7994 32.4178 63.4929 556250.6794 -16.4529 -16.2917 PRESSURE: 4684000 -441.167 -146.251 -38.499 -146.252 -341.694 -4.0903 -38.5003 -4.0904 -211.764 GPRESSURE: 4684000 -358.585 -187.542 -43.3385 -62.3253 -365.684 52.9481 -59.3127 -11.5155 -185.583 PRESSAVG: 4684000 23.3613 -34.4771 53.2096 -34.4772 2.90944 42.0756 53.2097 42.0756 -23.986 GPRESSAVG: 4684000 22.9707 -33.5692 52.6563 -33.8474 2.76445 43.9931 49.6498 39.2675 -24.1451 TIMING: 4684000 CPU: 13559.2, 0.00294668/step Wall: 13559.2, 0.00294668/step, 0.258653 hours remaining, 211.085938 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: 4684000 768.7511 2116.8229 1923.1218 103.9269 -205410.9091 17164.9171 0.0000 0.0000 34376.1083 -148957.2610 300.2151 -183333.3693 -148864.5203 300.5986 -331.5420 -303.2838 557361.0977 0.7616 0.5300 PRESSURE: 4684200 -246.563 -33.0823 98.2289 -33.0823 -191.972 -107.391 98.2286 -107.39 -330.955 GPRESSURE: 4684200 -200.045 17.1559 99.3546 -106.194 -193.236 -99.5638 95.376 -165.016 -272.932 PRESSAVG: 4684200 92.4244 9.51829 54.9282 9.51827 -20.8849 4.81668 54.9281 4.81672 -113.347 GPRESSAVG: 4684200 91.0572 8.20413 56.1831 9.06338 -21.0862 4.99446 57.272 5.25481 -112.181 TIMING: 4684200 CPU: 13559.8, 0.00291712/step Wall: 13559.8, 0.00291712/step, 0.255896 hours remaining, 211.085938 MB of memory in use. ENERGY: 4684200 742.8864 2123.4258 1925.6292 131.2277 -205695.3410 17423.8009 0.0000 0.0000 34575.1599 -148773.2111 301.9535 -183348.3711 -148677.5133 300.9748 -256.4968 -222.0710 558514.6762 -13.9360 -14.0700 LDB: ============= START OF LOAD BALANCING ============== 13563.2 LDB: ============== END OF LOAD BALANCING =============== 13563.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13563.2 LDB: ============= START OF LOAD BALANCING ============== 13563.5 LDB: Largest compute 4773 load 0.026590 is 22.5% of average load 0.118017 LDB: Average compute 0.001728 is 1.5% of average load 0.118017 LDB: TIME 13563.5 LOAD: AVG 0.118017 MAX 0.17849 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.172 MB LDB: TIME 13563.5 LOAD: AVG 0.118017 MAX 0.17849 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.172 MB LDB: TIME 13563.5 LOAD: AVG 0.118017 MAX 0.17849 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13563.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13563.5 PRESSURE: 4684400 106.419 -76.5391 -18.0907 -76.5394 -91.2594 104.629 -18.0905 104.627 30.3361 GPRESSURE: 4684400 144.333 -143.65 -3.97964 17.9457 -20.5935 109.169 8.57614 147.758 18.1689 PRESSAVG: 4684400 -30.7214 18.9596 54.1213 18.9597 4.98039 71.2957 54.1213 71.2958 58.7102 GPRESSAVG: 4684400 -29.9353 20.3279 53.7569 21.4082 4.2925 70.0153 55.7873 72.9115 58.3038 TIMING: 4684400 CPU: 13560.4, 0.00295683/step Wall: 13560.4, 0.00295683/step, 0.259215 hours remaining, 209.714844 MB of memory in use. ENERGY: 4684400 763.2453 2075.3051 1920.5561 119.8873 -205997.1078 17710.8675 0.0000 0.0000 34550.2876 -148856.9589 301.7363 -183407.2465 -148767.1009 300.8352 15.1651 47.3027 556716.0998 10.9897 10.8870 PRESSURE: 4684600 -73.9686 120.63 -22.1697 120.63 -50.4793 55.2405 -22.1695 55.2415 -28.3551 GPRESSURE: 4684600 -93.9931 154.618 -50.1332 2.25495 31.9436 93.1153 -7.69692 94.0838 6.3674 PRESSAVG: 4684600 -20.9363 2.90339 -19.708 2.90342 18.3579 33.2107 -19.708 33.2107 -32.1924 GPRESSAVG: 4684600 -20.0592 1.89009 -20.2686 1.36067 18.4782 32.2875 -20.9498 32.9473 -32.6922 TIMING: 4684600 CPU: 13561, 0.00292152/step Wall: 13561, 0.00292152/step, 0.255958 hours remaining, 209.714844 MB of memory in use. ENERGY: 4684600 773.0930 2056.0525 1951.8085 97.9468 -205871.4006 17711.4458 0.0000 0.0000 34366.7455 -148914.3084 300.1333 -183281.0538 -148816.9470 300.4096 -50.9343 -18.5607 556740.9040 -11.5902 -11.4244 PRESSURE: 4684800 -258.723 46.2113 27.6344 46.2105 -46.3236 145.909 27.6356 145.911 -187.221 GPRESSURE: 4684800 -307.688 67.2785 22.7471 -1.84211 30.8769 83.5372 34.0896 187.914 -126.096 PRESSAVG: 4684800 -19.9941 -9.41882 -6.27114 -9.41884 -4.43473 -5.03357 -6.27119 -5.03353 14.2342 GPRESSAVG: 4684800 -20.1375 -8.62306 -5.2708 -10.0062 -4.51571 -1.73649 -6.83273 -8.07576 15.043 TIMING: 4684800 CPU: 13561.6, 0.00293281/step Wall: 13561.6, 0.00293281/step, 0.256784 hours remaining, 209.714844 MB of memory in use. ENERGY: 4684800 725.6557 2161.4563 1924.5779 112.2764 -205747.8804 17367.1904 0.0000 0.0000 34343.9028 -149112.8209 299.9338 -183456.7237 -149013.5612 299.3786 -164.0892 -134.3023 557601.3876 -3.3982 -3.2034 PRESSURE: 4685000 34.7379 117.36 32.3142 117.359 195.957 -44.7044 32.3142 -44.7038 -175.432 GPRESSURE: 4685000 45.7793 176.722 29.3853 54.3914 237.943 -84.3826 48.7035 -3.90049 -120.555 PRESSAVG: 4685000 24.7798 -9.10572 -41.7274 -9.10577 16.7625 37.5268 -41.7274 37.5268 -39.3588 GPRESSAVG: 4685000 25.2486 -11.2964 -41.2641 -9.00967 16.7171 33.1149 -42.8327 41.2055 -39.5251 TIMING: 4685000 CPU: 13562.2, 0.00291067/step Wall: 13562.2, 0.00291067/step, 0.254683 hours remaining, 209.714844 MB of memory in use. ENERGY: 4685000 736.8473 2021.0375 1927.4189 114.7550 -206138.1036 17804.2362 0.0000 0.0000 34414.7446 -149119.0642 300.5525 -183533.8088 -149016.9014 299.3998 18.4209 54.3890 557917.8094 0.7279 0.8135 PRESSURE: 4685200 25.0076 -11.2165 30.5071 -11.2159 154.789 -24.4702 30.5056 -24.4691 76.9337 GPRESSURE: 4685200 105.378 19.2797 -15.454 -109.734 132.104 57.456 55.4894 -48.7537 117.501 PRESSAVG: 4685200 8.89051 21.1102 -17.2374 21.1102 -29.5925 -35.7283 -17.2374 -35.7283 -18.8026 GPRESSAVG: 4685200 8.59919 21.8857 -17.6902 22.0683 -28.41 -35.0407 -14.4879 -36.2863 -19.6406 TIMING: 4685200 CPU: 13562.7, 0.00293075/step Wall: 13562.7, 0.00293075/step, 0.256278 hours remaining, 209.714844 MB of memory in use. ENERGY: 4685200 701.5799 2121.0449 1933.5484 113.2229 -206124.3736 17783.7503 0.0000 0.0000 34379.0028 -149092.2245 300.2404 -183471.2273 -148998.7899 299.9452 85.5766 118.3276 556151.5692 -13.1682 -13.1505 PRESSURE: 4685400 -164.077 -81.7912 3.4672 -81.792 -90.0907 31.9566 3.4668 31.9582 -357.726 GPRESSURE: 4685400 -133.829 -47.84 27.1282 -166.896 -94.4861 78.0674 131.494 44.9312 -285.914 PRESSAVG: 4685400 -1.5434 35.0026 17.4787 35.0028 34.1071 33.9538 17.4786 33.9536 35.1602 GPRESSAVG: 4685400 -1.8383 34.3225 18.2663 33.3924 33.3116 36.7227 16.6229 32.499 35.6597 TIMING: 4685400 CPU: 13563.3, 0.00292907/step Wall: 13563.3, 0.00292907/step, 0.255968 hours remaining, 209.714844 MB of memory in use. ENERGY: 4685400 732.9356 2065.3541 1946.5655 114.3659 -205906.8099 17350.2530 0.0000 0.0000 34464.4195 -149232.9162 300.9863 -183697.3357 -149142.5594 299.6537 -203.9645 -171.4098 556544.0175 22.5746 22.3777 PRESSURE: 4685600 56.416 67.9001 174.607 67.8986 284.618 191.539 174.607 191.537 38.4478 GPRESSURE: 4685600 78.8231 40.082 106.787 24.8892 314.866 174.35 202.765 207.491 83.5 PRESSAVG: 4685600 25.9376 51.8746 3.13247 51.8747 17.4822 6.82281 3.13254 6.82293 -84.0594 GPRESSAVG: 4685600 26.1012 52.9294 1.52419 54.744 17.6927 7.0182 4.02973 6.8974 -84.3064 TIMING: 4685600 CPU: 13563.9, 0.00293516/step Wall: 13563.9, 0.00293516/step, 0.256337 hours remaining, 209.714844 MB of memory in use. ENERGY: 4685600 746.7360 2088.8353 1972.4596 112.7358 -206919.6846 18162.1929 0.0000 0.0000 34361.1129 -149475.6120 300.0841 -183836.7249 -149381.8665 298.7670 126.4938 159.0629 555249.5412 -13.5465 -13.5042 PRESSURE: 4685800 -53.9938 -16.479 166.854 -16.478 -262.333 -89.4526 166.852 -89.4518 -332.805 GPRESSURE: 4685800 26.748 -36.7488 97.2603 -13.7347 -277.085 -58.534 102.595 -65.7855 -291.819 PRESSAVG: 4685800 21.7302 0.473045 55.0068 0.47304 48.4714 43.4476 55.0067 43.4476 -63.8504 GPRESSAVG: 4685800 22.0165 -1.8194 56.2363 -0.330283 48.017 42.5616 52.9205 44.1165 -63.7044 TIMING: 4685800 CPU: 13564.5, 0.00289186/step Wall: 13564.5, 0.00289186/step, 0.252395 hours remaining, 209.714844 MB of memory in use. ENERGY: 4685800 765.6598 2109.7266 1923.0560 118.4444 -206002.6691 17524.0558 0.0000 0.0000 34281.7102 -149280.0163 299.3907 -183561.7265 -149174.3807 299.2751 -216.3771 -180.7187 559125.3616 2.1171 2.1097 PRESSURE: 4686000 379.329 57.0273 107.707 57.0275 253.268 206.724 107.707 206.725 -34.5633 GPRESSURE: 4686000 390.308 58.1918 103.118 47.2783 317.703 158.796 39.219 163.109 -3.19372 PRESSAVG: 4686000 31.8519 -14.089 -13.3486 -14.089 22.9979 -14.8928 -13.3486 -14.8927 -48.9993 GPRESSAVG: 4686000 30.1805 -11.9045 -13.9555 -17.6176 25.1141 -16.8255 -11.6889 -14.7691 -49.1299 TIMING: 4686000 CPU: 13565.1, 0.00293116/step Wall: 13565.1, 0.00293116/step, 0.255662 hours remaining, 209.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4686000 755.9228 2065.4204 1960.3061 112.5881 -206616.8638 18248.2391 0.0000 0.0000 34266.7047 -149207.6827 299.2597 -183474.3874 -149109.2195 299.1634 199.3444 234.9391 556881.2187 1.9502 2.0549 PRESSURE: 4686200 2.15108 29.8109 -34.6262 29.8102 -151.272 68.5276 -34.6257 68.5289 -273.607 GPRESSURE: 4686200 31.3818 91.1552 -36.4476 -48.6621 -134.256 44.0423 -61.8218 85.7834 -220.713 PRESSAVG: 4686200 50.4274 4.82471 26.828 4.82467 1.40457 -31.4214 26.8279 -31.4214 -4.04908 GPRESSAVG: 4686200 51.8559 4.57257 26.7365 6.5998 0.81391 -29.7548 28.3465 -30.9722 -4.75911 TIMING: 4686200 CPU: 13565.7, 0.00292024/step Wall: 13565.7, 0.00292024/step, 0.254547 hours remaining, 209.714844 MB of memory in use. ENERGY: 4686200 763.0084 2062.3637 1961.5172 101.8081 -205884.1252 17579.5354 0.0000 0.0000 34413.6384 -149002.2540 300.5429 -183415.8924 -148903.6335 300.0327 -140.9094 -107.8625 558252.9183 15.9276 15.9702 PRESSURE: 4686400 -247.938 -34.9114 -40.9728 -34.9115 -68.426 -13.5504 -40.9726 -13.5494 -112.939 GPRESSURE: 4686400 -185.418 9.51988 14.5333 -42.9365 -80.9126 -69.7022 -84.5264 -0.310839 -49.2461 PRESSAVG: 4686400 -27.8981 -20.1431 25.816 -20.1429 20.3479 37.2063 25.816 37.2063 12.0699 GPRESSAVG: 4686400 -26.7914 -19.2313 24.5153 -22.2891 19.3264 36.309 24.1526 37.5931 12.0663 TIMING: 4686400 CPU: 13566.2, 0.00290868/step Wall: 13566.2, 0.00290868/step, 0.253379 hours remaining, 209.714844 MB of memory in use. ENERGY: 4686400 743.1675 2141.7434 1960.3975 115.4891 -206135.0607 17511.7202 0.0000 0.0000 34551.7225 -149110.8205 301.7488 -183662.5430 -149007.7731 300.2866 -143.1009 -105.1921 556403.4768 1.5066 1.5338 PRESSURE: 4686600 -16.5111 -111.85 -43.8626 -111.849 96.4856 -210.463 -43.862 -210.462 -204.658 GPRESSURE: 4686600 34.4836 -113.43 -137.008 -129.709 88.0109 -200.472 -7.61423 -243.549 -150.248 PRESSAVG: 4686600 -76.2399 -31.0146 -12.1153 -31.0146 98.0564 -95.0591 -12.1153 -95.059 -30.535 GPRESSAVG: 4686600 -77.1027 -31.0123 -12.1724 -29.8188 98.5529 -94.1733 -12.6107 -95.4603 -30.4251 TIMING: 4686600 CPU: 13566.8, 0.00288476/step Wall: 13566.8, 0.00288476/step, 0.251134 hours remaining, 209.714844 MB of memory in use. ENERGY: 4686600 771.9770 2172.0512 1956.9495 118.9911 -206436.4434 17894.4890 0.0000 0.0000 34414.5576 -149107.4280 300.5509 -183521.9856 -149015.7060 300.2951 -41.5611 -9.2511 556752.6432 -2.9061 -2.9916 PRESSURE: 4686800 -318.575 223.609 -34.2249 223.608 83.0523 -31.6238 -34.2245 -31.6237 -52.9722 GPRESSURE: 4686800 -261.628 219.177 -76.8765 212.727 63.695 -7.06323 -10.6778 -13.6055 13.7227 PRESSAVG: 4686800 -72.6631 -4.68537 -5.69864 -4.68536 45.5016 9.60173 -5.69863 9.60169 -1.33254 GPRESSAVG: 4686800 -72.1128 -6.80002 -5.03941 -3.81223 44.7971 7.89937 -5.96022 10.5909 -0.828094 TIMING: 4686800 CPU: 13567.4, 0.00287991/step Wall: 13567.4, 0.00287991/step, 0.250552 hours remaining, 209.714844 MB of memory in use. ENERGY: 4686800 711.7619 2126.4284 1945.5568 108.4417 -206037.3702 17623.8977 0.0000 0.0000 34249.1261 -149272.1577 299.1061 -183521.2838 -149181.3798 299.6878 -96.1651 -61.4033 558053.7337 -9.4980 -9.3812 PRESSURE: 4687000 -274.757 209.979 -192.272 209.979 -17.6177 89.4788 -192.272 89.4779 -332.746 GPRESSURE: 4687000 -262.134 166.644 -126.356 247.938 -5.22524 43.0017 -235.024 17.7933 -247.851 PRESSAVG: 4687000 -59.5325 -9.31936 -45.177 -9.31934 27.2268 -10.5836 -45.1769 -10.5837 4.91544 GPRESSAVG: 4687000 -59.9875 -7.95445 -45.3252 -8.88731 29.2653 -10.2134 -45.009 -11.015 3.2708 TIMING: 4687000 CPU: 13568, 0.00289437/step Wall: 13568, 0.00289437/step, 0.251649 hours remaining, 209.714844 MB of memory in use. ENERGY: 4687000 761.7989 2086.1890 1961.6585 113.9119 -205743.5366 17514.4145 0.0000 0.0000 33978.3929 -149327.1710 296.7418 -183305.5639 -149234.7877 299.3806 -208.3738 -171.7368 557974.3633 -9.1301 -9.1505 PRESSURE: 4687200 -209.05 165.118 -202.174 165.117 -209.215 67.9528 -202.174 67.9543 -74.38 GPRESSURE: 4687200 -155.695 109.461 -191.958 172.899 -143.653 85.5218 -305.395 46.1148 -85.299 PRESSAVG: 4687200 -39.2588 33.9778 -47.1675 33.9778 47.6792 -55.0738 -47.1674 -55.0738 9.58956 GPRESSAVG: 4687200 -40.0276 33.1461 -46.6501 32.5468 47.1228 -55.5793 -46.934 -54.8648 10.5702 TIMING: 4687200 CPU: 13568.6, 0.00291254/step Wall: 13568.6, 0.00291254/step, 0.253067 hours remaining, 209.714844 MB of memory in use. ENERGY: 4687200 718.4883 2070.4864 1937.7330 118.2765 -206048.2506 17479.0050 0.0000 0.0000 34414.0951 -149310.1664 300.5469 -183724.2615 -149208.0468 298.8413 -164.2147 -128.2157 557125.4831 6.0033 5.8885 PRESSURE: 4687400 91.4997 -117.283 -27.7153 -117.283 -302.581 -28.4905 -27.7171 -28.4898 184.886 GPRESSURE: 4687400 133.61 -113.654 13.1517 -108.706 -258.409 -70.5711 -43.2403 -76.0415 193.64 PRESSAVG: 4687400 -54.3358 -9.65591 -73.2515 -9.65579 -9.05701 5.51882 -73.2516 5.51892 77.1269 GPRESSAVG: 4687400 -53.2268 -7.75237 -74.067 -9.48027 -9.57848 4.83061 -72.2177 5.66058 76.9836 TIMING: 4687400 CPU: 13569.1, 0.00291758/step Wall: 13569.1, 0.00291758/step, 0.253343 hours remaining, 209.714844 MB of memory in use. ENERGY: 4687400 765.2204 2043.0887 1977.0117 107.7287 -206309.2840 17807.1642 0.0000 0.0000 34161.1331 -149447.9373 298.3377 -183609.0704 -149349.2493 298.5317 -8.7316 22.9468 556102.1533 4.5780 4.7261 PRESSURE: 4687600 -206.455 144.043 -92.1551 144.044 -276.496 57.0484 -92.1543 57.0491 -30.3514 GPRESSURE: 4687600 -174.661 211.176 -77.2291 97.4714 -197.004 79.3473 -34.7725 49.0436 -33.2429 PRESSAVG: 4687600 -75.6229 16.6668 -75.6339 16.6669 -3.57492 -51.5942 -75.6339 -51.5942 36.0149 GPRESSAVG: 4687600 -76.0143 13.6948 -74.9798 19.0128 -3.59017 -50.9005 -76.263 -53.0874 36.1969 TIMING: 4687600 CPU: 13569.7, 0.00289991/step Wall: 13569.7, 0.00289991/step, 0.251647 hours remaining, 209.714844 MB of memory in use. ENERGY: 4687600 729.7699 2050.4269 1953.3782 112.7792 -205977.9367 17561.7086 0.0000 0.0000 34194.8737 -149375.0002 298.6323 -183569.8740 -149271.2970 298.5547 -171.1008 -134.9693 557981.7968 -14.3943 -14.4692 PRESSURE: 4687800 -336.263 10.6728 8.69698 10.6734 -249.339 -131.232 8.69693 -131.231 -486.543 GPRESSURE: 4687800 -324.164 -7.93187 -50.0612 24.4885 -239.957 -138.6 9.88302 -155.588 -408.693 PRESSAVG: 4687800 29.1003 9.09549 12.6408 9.09546 -48.4887 -58.9137 12.6407 -58.9138 49.648 GPRESSAVG: 4687800 29.0189 7.66271 14.1229 7.40016 -47.8951 -58.4559 11.4652 -57.1454 49.1505 TIMING: 4687800 CPU: 13570.3, 0.00294656/step Wall: 13570.3, 0.00294656/step, 0.255532 hours remaining, 209.714844 MB of memory in use. ENERGY: 4687800 772.1966 2093.2467 1967.6681 106.9842 -205888.8708 17385.3534 0.0000 0.0000 34170.0432 -149393.3786 298.4155 -183563.4218 -149297.9485 298.9186 -357.3816 -324.2713 559423.3727 10.0866 10.0915 PRESSURE: 4688000 32.4374 -107.226 33.4042 -107.225 7.83689 23.5837 33.4054 23.583 -60.554 GPRESSURE: 4688000 48.6503 -52.9557 -18.6874 -111.278 14.699 28.6874 47.3564 -64.9214 34.4845 PRESSAVG: 4688000 20.782 -28.3642 -2.97424 -28.3641 21.4345 35.5208 -2.97413 35.5208 -32.0521 GPRESSAVG: 4688000 20.9288 -24.7815 -3.40615 -28.9733 21.0453 36.1083 -2.61066 35.7314 -31.6653 TIMING: 4688000 CPU: 13570.9, 0.00290617/step Wall: 13570.9, 0.00290617/step, 0.251868 hours remaining, 209.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4688000 740.4403 2082.8801 1958.7607 108.9858 -206091.9836 17694.9075 0.0000 0.0000 34106.9056 -149399.1036 297.8641 -183506.0092 -149303.3521 299.2205 -6.7599 32.6112 557065.8972 3.3881 3.4363 PRESSURE: 4688200 52.2158 44.5036 242.165 44.5032 -235.184 -24.6012 242.165 -24.6002 -211.523 GPRESSURE: 4688200 19.4239 30.2076 291.025 67.637 -207.603 -83.6024 166.2 -13.242 -115.044 PRESSAVG: 4688200 -9.87919 -22.118 -19.5481 -22.118 -38.4929 20.4811 -19.5481 20.4811 8.7183 GPRESSAVG: 4688200 -9.35269 -23.6084 -19.6966 -20.6727 -38.5295 19.4124 -19.4285 19.7807 8.45805 TIMING: 4688200 CPU: 13571.5, 0.00291709/step Wall: 13571.5, 0.00291709/step, 0.252652 hours remaining, 209.714844 MB of memory in use. ENERGY: 4688200 748.3842 2072.6906 1941.3040 100.8068 -206224.2803 17576.5463 0.0000 0.0000 34541.6815 -149242.8669 301.6611 -183784.5484 -149140.0153 298.9440 -131.4970 -101.0743 557812.5576 -13.2179 -13.1414 LDB: ============= START OF LOAD BALANCING ============== 13574.9 LDB: ============== END OF LOAD BALANCING =============== 13574.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13574.9 LDB: ============= START OF LOAD BALANCING ============== 13575.2 LDB: Largest compute 4800 load 0.026750 is 22.7% of average load 0.117988 LDB: Average compute 0.001723 is 1.5% of average load 0.117988 LDB: TIME 13575.2 LOAD: AVG 0.117988 MAX 0.179749 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.484 MB LDB: TIME 13575.2 LOAD: AVG 0.117988 MAX 0.179749 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.484 MB LDB: TIME 13575.2 LOAD: AVG 0.117988 MAX 0.179749 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.484 MB LDB: ============== END OF LOAD BALANCING =============== 13575.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13575.2 PRESSURE: 4688400 -49.2547 -55.5306 -114.283 -55.5305 -53.9539 5.18772 -114.282 5.18844 -328.647 GPRESSURE: 4688400 -30.6245 -166.092 -138.007 -72.8939 -27.0444 25.2988 -36.6149 -71.1548 -277.387 PRESSAVG: 4688400 39.3451 -8.96332 5.78187 -8.96343 29.7432 -17.642 5.78191 -17.6421 -80.3374 GPRESSAVG: 4688400 39.2755 -8.90682 5.96722 -10.0384 29.0094 -17.7307 6.68762 -19.1292 -80.294 TIMING: 4688400 CPU: 13572.1, 0.00301312/step Wall: 13572.1, 0.00301312/step, 0.260802 hours remaining, 212.601562 MB of memory in use. ENERGY: 4688400 757.8077 2055.2454 1944.5955 106.0412 -206034.4630 17563.1190 0.0000 0.0000 34426.1144 -149181.5397 300.6518 -183607.6541 -149081.9308 299.6810 -143.9517 -111.6854 557020.7404 -3.7497 -4.0030 PRESSURE: 4688600 118.182 -131.027 78.8636 -131.026 28.038 -160.162 78.864 -160.16 85.4567 GPRESSURE: 4688600 157.989 -182.18 76.0885 -208.032 72.4125 -146.085 116.39 -123.033 106.075 PRESSAVG: 4688600 -42.8674 -11.4114 -40.1362 -11.4113 25.4699 -35.1572 -40.1361 -35.1574 34.1742 GPRESSAVG: 4688600 -43.1951 -11.7277 -40.631 -10.5875 25.7664 -32.6924 -39.8534 -35.0738 33.5006 TIMING: 4688600 CPU: 13572.7, 0.00291066/step Wall: 13572.7, 0.00291066/step, 0.251772 hours remaining, 212.601562 MB of memory in use. ENERGY: 4688600 748.1334 2088.9215 1941.6350 98.0622 -206571.2985 18121.4525 0.0000 0.0000 34225.3265 -149347.7672 298.8983 -183573.0938 -149253.3853 299.6891 77.2255 112.1589 556816.5769 5.5922 5.3573 PRESSURE: 4688800 197.306 -71.779 -117.622 -71.7804 -131.575 -8.85023 -117.623 -8.84986 -42.3947 GPRESSURE: 4688800 235.07 -25.098 -58.8123 -121.545 -115.129 39.8619 -177.323 -16.4385 15.5174 PRESSAVG: 4688800 33.9297 16.5296 -3.89586 16.5296 -16.1336 18.5391 -3.89583 18.5391 20.512 GPRESSAVG: 4688800 34.6072 16.9712 -2.35413 16.9618 -15.3859 17.2588 -5.51481 17.9904 19.323 TIMING: 4688800 CPU: 13573.2, 0.00289028/step Wall: 13573.2, 0.00289028/step, 0.249848 hours remaining, 212.601562 MB of memory in use. ENERGY: 4688800 738.1978 2089.3747 1949.7254 95.5509 -206129.3713 17553.7439 0.0000 0.0000 34185.8988 -149516.8798 298.5540 -183702.7786 -149415.3804 298.8674 7.7789 45.1528 555995.7170 12.7694 12.8481 PRESSURE: 4689000 -122.066 92.927 -34.2641 92.9268 -25.0281 -78.6885 -34.2637 -78.6882 -199.883 GPRESSURE: 4689000 -105.659 46.6793 -58.3604 94.7968 51.4573 -153.551 25.4491 -65.6639 -192.439 PRESSAVG: 4689000 -37.6905 -38.2411 -14.7515 -38.2411 -8.9009 -17.0275 -14.7515 -17.0276 29.603 GPRESSAVG: 4689000 -38.5412 -39.0668 -15.3863 -40.0407 -9.40113 -18.3028 -15.1927 -16.2704 31.4061 TIMING: 4689000 CPU: 13573.8, 0.00290078/step Wall: 13573.8, 0.00290078/step, 0.250595 hours remaining, 212.601562 MB of memory in use. ENERGY: 4689000 744.0153 2066.4571 1932.1243 116.8783 -206688.5890 17823.4840 0.0000 0.0000 34281.4675 -149724.1625 299.3886 -184005.6300 -149620.0126 298.4001 -115.6593 -82.2139 555811.6458 -5.6628 -5.5121 PRESSURE: 4689200 -90.0013 47.1968 2.22472 47.1972 387.978 154.111 2.2259 154.11 -189.465 GPRESSURE: 4689200 -86.5547 -0.091071 -2.88171 79.0547 416.014 117.498 3.63722 155.235 -125.786 PRESSAVG: 4689200 28.6827 -10.6627 -19.6727 -10.6627 15.2106 19.4651 -19.6726 19.465 -11.2039 GPRESSAVG: 4689200 27.5425 -9.63301 -20.7793 -8.50748 16.0851 20.8477 -20.3157 18.6179 -10.6702 TIMING: 4689200 CPU: 13574.4, 0.00291468/step Wall: 13574.4, 0.00291468/step, 0.251634 hours remaining, 212.601562 MB of memory in use. ENERGY: 4689200 754.9683 2048.9166 1978.8611 111.0589 -206508.0937 17954.4218 0.0000 0.0000 34143.8061 -149516.0608 298.1864 -183659.8669 -149423.9682 298.6163 36.1704 67.8912 556887.6873 10.8965 10.9858 PRESSURE: 4689400 -112.801 -74.5479 84.7373 -74.5482 -50.1623 -86.4438 84.7369 -86.4454 111.332 GPRESSURE: 4689400 -48.811 9.73357 88.9422 -81.9993 11.7504 -190.581 3.3251 -46.9565 83.4756 PRESSAVG: 4689400 -28.9507 -5.84979 45.9934 -5.84976 36.5971 28.0971 45.9933 28.0973 16.5298 GPRESSAVG: 4689400 -27.4453 -4.90195 46.157 -5.50633 37.1094 26.547 47.4194 28.3672 15.2503 TIMING: 4689400 CPU: 13575, 0.00289358/step Wall: 13575, 0.00289358/step, 0.249651 hours remaining, 212.601562 MB of memory in use. ENERGY: 4689400 716.0146 2058.9579 1946.4310 94.0276 -206443.1793 17802.9834 0.0000 0.0000 34288.2683 -149536.4965 299.4480 -183824.7648 -149437.2064 298.0879 -17.2103 15.4717 556773.3171 8.0587 8.3048 PRESSURE: 4689600 -192.065 -94.4107 58.4717 -94.4111 -194.738 -103.969 58.4718 -103.969 -39.5419 GPRESSURE: 4689600 -160.814 -26.6521 67.0527 -59.8115 -185.038 -180.395 23.269 -80.0425 4.32355 PRESSAVG: 4689600 37.0289 -34.2677 37.0186 -34.2677 37.6503 -47.4127 37.0186 -47.4127 -16.7165 GPRESSAVG: 4689600 38.0014 -35.1517 35.8415 -36.0125 36.6775 -47.6414 38.4218 -45.137 -17.061 TIMING: 4689600 CPU: 13575.6, 0.00290571/step Wall: 13575.6, 0.00290571/step, 0.250536 hours remaining, 212.601562 MB of memory in use. ENERGY: 4689600 757.1908 2073.9209 1954.9440 106.1091 -205910.0289 17513.7517 0.0000 0.0000 34155.6781 -149348.4343 298.2900 -183504.1124 -149256.4512 298.3047 -142.1151 -113.8430 556476.0033 19.3209 19.2059 PRESSURE: 4689800 118.773 -49.3108 -35.2301 -49.3116 -132.82 48.9572 -35.2293 48.9579 -103.09 GPRESSURE: 4689800 163.446 -216.261 20.2529 82.329 -123.508 72.0308 21.6247 37.3779 -61.8798 PRESSAVG: 4689800 86.7144 43.2601 63.1178 43.26 -46.2102 -33.4325 63.1178 -33.4326 -48.7102 GPRESSAVG: 4689800 86.0808 44.3364 65.1541 44.2187 -46.6332 -34.8454 60.5181 -31.4275 -47.6758 TIMING: 4689800 CPU: 13576.1, 0.00292242/step Wall: 13576.1, 0.00292242/step, 0.251815 hours remaining, 212.601562 MB of memory in use. ENERGY: 4689800 755.8243 2047.8294 1930.3796 102.2680 -206134.5925 17658.9275 0.0000 0.0000 34331.8039 -149307.5598 299.8282 -183639.3637 -149218.3060 299.2505 -39.0455 -7.3138 556554.7343 -2.7353 -2.7427 PRESSURE: 4690000 311.171 -20.3617 -113.776 -20.3609 -98.4647 80.6592 -113.777 80.6595 187.057 GPRESSURE: 4690000 352.462 -32.0175 -83.1405 51.9309 -27.9521 124.142 -140.581 41.2073 183.6 PRESSAVG: 4690000 47.1948 -47.6122 37.5417 -47.6124 -20.2751 -30.8524 37.5418 -30.8525 -43.1357 GPRESSAVG: 4690000 47.5266 -47.1754 37.6452 -50.3939 -18.974 -28.5535 37.1577 -31.8932 -45.0376 TIMING: 4690000 CPU: 13576.7, 0.00293581/step Wall: 13576.7, 0.00293581/step, 0.252806 hours remaining, 212.601562 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: 4690000 703.5685 2053.2571 1931.6818 111.5158 -205857.2414 17779.7443 0.0000 0.0000 34269.7608 -149007.7131 299.2863 -183277.4739 -148913.8857 298.6885 133.2544 169.3700 555832.7490 -5.4054 -5.4950 PRESSURE: 4690200 -71.0941 -10.2654 -142.974 -10.2654 127.862 -100.927 -142.975 -100.924 -5.14762 GPRESSURE: 4690200 -27.467 50.4321 -127.797 -8.25875 125.59 -45.6968 -121.097 -92.3064 42.2682 PRESSAVG: 4690200 -19.5238 -0.297599 -23.9675 -0.297613 17.5129 -6.94088 -23.9675 -6.94067 37.1209 GPRESSAVG: 4690200 -20.0005 0.297083 -25.2336 1.3813 17.2565 -8.93707 -21.0104 -8.34371 37.5394 TIMING: 4690200 CPU: 13577.3, 0.00292916/step Wall: 13577.3, 0.00292916/step, 0.25207 hours remaining, 212.601562 MB of memory in use. ENERGY: 4690200 738.2282 2103.0802 1938.2172 104.5446 -205887.6501 17826.6149 0.0000 0.0000 34424.2426 -148752.7224 300.6355 -183176.9650 -148661.3818 300.2051 17.2068 46.7971 555990.3902 11.7033 11.5985 PRESSURE: 4690400 131.521 68.4926 54.0378 68.492 155.589 -3.46988 54.0376 -3.47009 47.871 GPRESSURE: 4690400 178.37 5.51651 25.4761 162.54 210.278 66.6383 36.961 -57.4011 57.5202 PRESSAVG: 4690400 -83.3737 -22.4111 42.4366 -22.4111 84.3483 -29.8879 42.4366 -29.8879 16.643 GPRESSAVG: 4690400 -83.4042 -22.3151 41.7064 -23.5331 84.1948 -26.4995 43.1376 -31.459 16.8447 TIMING: 4690400 CPU: 13577.9, 0.00295649/step Wall: 13577.9, 0.00295649/step, 0.254258 hours remaining, 212.601562 MB of memory in use. ENERGY: 4690400 728.0890 2065.8261 1946.0054 108.5108 -206003.5787 17842.0884 0.0000 0.0000 34537.2322 -148775.8269 301.6222 -183313.0590 -148684.2395 301.1203 111.6603 148.7227 557248.4466 5.8725 5.8784 PRESSURE: 4690600 -173.206 12.4724 18.92 12.4719 -16.7709 -74.4074 18.9202 -74.4071 173.528 GPRESSURE: 4690600 -123.979 1.15441 -21.6864 -76.018 61.1115 2.1777 19.4223 -111.639 139.541 PRESSAVG: 4690600 -44.4905 12.8806 36.2807 12.8806 41.3754 -20.0875 36.2808 -20.0875 2.21747 GPRESSAVG: 4690600 -44.796 11.4222 38.941 10.164 41.6856 -23.5919 34.5945 -19.0183 1.45972 TIMING: 4690600 CPU: 13578.5, 0.00295331/step Wall: 13578.5, 0.00295331/step, 0.253821 hours remaining, 212.601562 MB of memory in use. ENERGY: 4690600 757.4927 2100.3377 1945.2160 107.0497 -205997.7635 17747.7964 0.0000 0.0000 34299.5362 -149040.3349 299.5464 -183339.8710 -148939.5303 299.8709 -5.4831 25.5577 557627.4525 -0.2992 -0.5502 PRESSURE: 4690800 16.8284 -88.4263 117.468 -88.425 41.9408 12.729 117.467 12.7294 105.09 GPRESSURE: 4690800 46.46 -113.86 138.771 -50.0394 92.8288 34.2196 87.5138 23.5105 122.03 PRESSAVG: 4690800 -116.403 -31.3175 9.92657 -31.3175 1.78484 -5.45816 9.9266 -5.45803 94.256 GPRESSAVG: 4690800 -115.414 -29.9275 9.21899 -27.4296 0.992286 -4.58547 8.2611 -6.04514 94.1125 TIMING: 4690800 CPU: 13579.1, 0.00294622/step Wall: 13579.1, 0.00294622/step, 0.253048 hours remaining, 212.601562 MB of memory in use. ENERGY: 4690800 706.7154 2077.6111 1928.1245 117.1796 -206122.3377 17746.9611 0.0000 0.0000 34431.9348 -149113.8113 300.7027 -183545.7461 -149022.3802 299.9665 54.6197 87.1062 556799.0249 -6.7875 -6.7697 PRESSURE: 4691000 -174.388 3.50172 -49.0438 3.50208 167.33 -85.5368 -49.0437 -85.5374 253.404 GPRESSURE: 4691000 -126.505 -7.16182 75.9113 10.7883 188.612 -36.4742 -103.466 -108.619 278.018 PRESSAVG: 4691000 5.0908 -60.5032 8.46649 -60.5032 -5.97135 33.3733 8.46659 33.3731 -15.6113 GPRESSAVG: 4691000 4.50678 -60.3058 10 -62.4754 -6.1772 33.9375 9.08041 33.2975 -14.8255 TIMING: 4691000 CPU: 13579.7, 0.00291327/step Wall: 13579.7, 0.00291327/step, 0.250056 hours remaining, 212.601562 MB of memory in use. ENERGY: 4691000 713.9510 2039.6472 1950.8485 119.7462 -206349.2939 17792.0292 0.0000 0.0000 34388.5053 -149344.5666 300.3234 -183733.0719 -149244.0986 299.4761 82.1151 113.3750 556260.9228 -5.4973 -5.4986 PRESSURE: 4691200 -70.2636 46.8665 111.541 46.8673 -221.149 -139.735 111.541 -139.735 19.3419 GPRESSURE: 4691200 -31.6337 30.4769 83.6147 41.8641 -183.051 -184.719 141.564 -179.989 31.9085 PRESSAVG: 4691200 -12.2593 -41.1116 23.5291 -41.1116 34.8719 -16.5805 23.5291 -16.5805 20.1682 GPRESSAVG: 4691200 -12.5694 -40.248 22.7135 -41.0462 34.8579 -17.6018 23.3456 -16.4773 20.5856 TIMING: 4691200 CPU: 13580.3, 0.00291836/step Wall: 13580.3, 0.00291836/step, 0.250331 hours remaining, 212.601562 MB of memory in use. ENERGY: 4691200 745.6612 2067.1478 1976.3456 102.7627 -205749.0630 17492.9348 0.0000 0.0000 34087.5057 -149276.7051 297.6947 -183364.2108 -149179.1392 299.0727 -90.6902 -60.9254 557102.1452 14.2603 14.2914 PRESSURE: 4691400 -69.4218 -38.0957 112.352 -38.0967 -156.028 55.2309 112.352 55.2312 -293.863 GPRESSURE: 4691400 -59.2666 -48.6287 45.84 41.4864 -150.479 85.2343 122.88 -5.65876 -212.236 PRESSAVG: 4691400 33.8328 -38.9701 1.07931 -38.9702 -20.435 -39.5364 1.07929 -39.5364 -6.46591 GPRESSAVG: 4691400 33.8157 -38.3767 -0.749041 -39.0516 -20.3632 -38.2384 1.41494 -40.1827 -6.37403 TIMING: 4691400 CPU: 13580.8, 0.00290719/step Wall: 13580.8, 0.00290719/step, 0.24921 hours remaining, 212.601562 MB of memory in use. ENERGY: 4691400 728.7830 2008.0529 1922.1345 102.8675 -205809.7069 17484.5395 0.0000 0.0000 34360.5123 -149202.8172 300.0789 -183563.3295 -149112.0942 298.9264 -173.1041 -140.6604 558803.1646 2.3106 2.3595 PRESSURE: 4691600 15.2691 -94.6299 -99.9454 -94.6303 -311.378 9.16444 -99.945 9.16573 55.3563 GPRESSURE: 4691600 51.7999 -45.1748 -13.7983 -125.179 -250.328 63.6905 -85.5083 -7.81745 59.5328 PRESSAVG: 4691600 1.02794 0.598633 -46.5735 0.59861 -44.5306 56.2457 -46.5734 56.2456 42.4984 GPRESSAVG: 4691600 0.254808 -2.19819 -44.9476 2.24408 -44.1539 56.6959 -47.7591 56.1569 42.8554 TIMING: 4691600 CPU: 13581.4, 0.00291401/step Wall: 13581.4, 0.00291401/step, 0.249634 hours remaining, 212.601562 MB of memory in use. ENERGY: 4691600 744.2387 2048.9526 1956.0721 123.9437 -206123.8232 17657.6131 0.0000 0.0000 34409.2349 -149183.7681 300.5044 -183593.0030 -149097.0035 299.9559 -80.2510 -46.3319 557170.2549 -0.3348 -0.3479 PRESSURE: 4691800 137.559 -52.4268 15.0242 -52.4267 -69.612 29.456 15.024 29.4557 152.336 GPRESSURE: 4691800 184.62 -36.177 -37.8882 -62.375 -8.65613 -1.91696 43.6006 -24.1281 133.565 PRESSAVG: 4691800 13.4899 1.27713 16.0541 1.27705 -52.4862 12.6526 16.0541 12.6526 54.8964 GPRESSAVG: 4691800 13.2585 4.69756 15.5074 -0.705169 -52.8011 10.4629 15.4777 13.1646 56.0251 TIMING: 4691800 CPU: 13582, 0.00292378/step Wall: 13582, 0.00292378/step, 0.250308 hours remaining, 212.601562 MB of memory in use. ENERGY: 4691800 714.6091 2105.8993 1942.1018 125.1344 -206326.2991 17962.0978 0.0000 0.0000 34252.2177 -149224.2388 299.1331 -183476.4566 -149122.7538 299.3062 73.4278 103.1762 556769.7589 5.3001 5.4941 PRESSURE: 4692000 40.3034 -106.927 -82.1252 -106.926 -215.975 118.743 -82.1255 118.742 -237.985 GPRESSURE: 4692000 47.1586 -7.04579 -103.524 -171.59 -173.552 110.792 -104.927 125.617 -186.271 PRESSAVG: 4692000 -36.6251 2.43275 -36.5454 2.43278 -12.5406 -48.4786 -36.5455 -48.4786 20.1717 GPRESSAVG: 4692000 -36.2856 -0.732644 -34.5746 4.34739 -12.1417 -47.408 -36.6494 -47.124 20.2007 TIMING: 4692000 CPU: 13582.6, 0.00290686/step Wall: 13582.6, 0.00290686/step, 0.248698 hours remaining, 212.601562 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: 4692000 724.9070 2061.8864 1974.7473 103.2392 -205734.5030 17540.7679 0.0000 0.0000 34319.8537 -149009.1014 299.7238 -183328.9551 -148912.1596 299.1120 -137.8855 -104.2214 557524.9450 -9.6647 -9.4089 PRESSURE: 4692200 -490.256 -43.1523 56.0018 -43.1522 -212.749 55.0401 56.0023 55.0387 -456.563 GPRESSURE: 4692200 -431.76 -112.077 81.5348 -62.2741 -210.493 72.1253 -16.2145 5.54805 -434.145 PRESSAVG: 4692200 103.253 -41.0749 -9.64393 -41.0749 -92.1827 -67.8102 -9.64406 -67.8103 15.2334 GPRESSAVG: 4692200 103.968 -40.4306 -11.2094 -41.2486 -92.3056 -69.0698 -7.76351 -67.4222 14.4815 TIMING: 4692200 CPU: 13583.2, 0.00289966/step Wall: 13583.2, 0.00289966/step, 0.247921 hours remaining, 212.601562 MB of memory in use. ENERGY: 4692200 747.1330 2101.3285 1961.8961 119.4369 -205460.8434 17132.8950 0.0000 0.0000 34333.1617 -149064.9921 299.8400 -183398.1539 -148969.2423 300.4448 -386.5226 -358.7993 558194.2421 8.7678 8.7148 LDB: ============= START OF LOAD BALANCING ============== 13586.6 LDB: ============== END OF LOAD BALANCING =============== 13586.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13586.6 LDB: ============= START OF LOAD BALANCING ============== 13586.8 LDB: Largest compute 4800 load 0.027271 is 23.1% of average load 0.118000 LDB: Average compute 0.001735 is 1.5% of average load 0.118000 LDB: TIME 13586.8 LOAD: AVG 0.118 MAX 0.178241 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.266 MB LDB: TIME 13586.9 LOAD: AVG 0.118 MAX 0.178241 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.336 MB LDB: TIME 13586.9 LOAD: AVG 0.118 MAX 0.178241 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.336 MB LDB: ============== END OF LOAD BALANCING =============== 13586.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13586.9 PRESSURE: 4692400 -100.079 81.1206 -75.0883 81.1208 29.4305 76.6579 -75.0879 76.6571 75.7932 GPRESSURE: 4692400 -129.98 61.8406 -37.0666 58.2038 120.717 99.7255 -21.1448 -11.9695 104.768 PRESSAVG: 4692400 22.2954 -38.0008 9.9188 -38.0009 18.9873 7.09065 9.91893 7.09052 -21.5519 GPRESSAVG: 4692400 23.094 -38.8028 11.5033 -39.032 18.9384 8.13786 8.49409 6.26099 -22.1214 TIMING: 4692400 CPU: 13583.8, 0.00298168/step Wall: 13583.8, 0.00298168/step, 0.254768 hours remaining, 211.652344 MB of memory in use. ENERGY: 4692400 747.5151 2097.7321 1964.8838 112.9021 -206073.6019 17834.8600 0.0000 0.0000 34242.1728 -149073.5359 299.0454 -183315.7088 -148977.7933 300.2119 1.7150 31.8348 558453.2541 6.5769 6.6370 PRESSURE: 4692600 6.41016 -27.3869 76.3296 -27.3866 -185.072 -226.081 76.3294 -226.08 -10.065 GPRESSURE: 4692600 59.0575 -62.8315 33.6689 -32.4737 -139.807 -299.077 66.9833 -249.627 1.21805 PRESSAVG: 4692600 6.28383 -2.83003 5.32478 -2.83015 47.2427 -97.5389 5.3247 -97.5389 -56.9123 GPRESSAVG: 4692600 6.40886 -0.193019 4.28312 -2.45439 47.1489 -98.3967 6.66093 -97.1029 -57.0184 TIMING: 4692600 CPU: 13584.3, 0.00292351/step Wall: 13584.3, 0.00292351/step, 0.249635 hours remaining, 211.851562 MB of memory in use. ENERGY: 4692600 765.5584 2164.8238 1948.2309 114.0717 -206242.8248 17875.5818 0.0000 0.0000 34424.0159 -148950.5424 300.6335 -183374.5583 -148852.8041 299.7857 -62.9088 -26.5105 557870.1769 -1.1286 -1.1536 PRESSURE: 4692800 258.088 135.347 -86.4421 135.347 -50.058 -212.76 -86.4425 -212.761 -126.466 GPRESSURE: 4692800 227.352 134.045 -69.8369 114.866 14.0559 -182.661 -27.2417 -201.468 -47.1435 PRESSAVG: 4692800 60.5773 -11.5519 -30.7378 -11.552 -50.67 -83.1609 -30.7378 -83.1609 -40.2072 GPRESSAVG: 4692800 59.476 -14.0601 -32.533 -11.4938 -50.7085 -84.3459 -30.6195 -83.5305 -38.5608 TIMING: 4692800 CPU: 13584.9, 0.00292602/step Wall: 13584.9, 0.00292602/step, 0.249687 hours remaining, 211.851562 MB of memory in use. ENERGY: 4692800 740.8578 2024.3700 1994.3215 112.4048 -206089.5230 17814.3739 0.0000 0.0000 34384.7845 -149018.4105 300.2909 -183403.1949 -148922.2774 300.1154 27.1879 64.7547 557574.6320 -10.0999 -9.9311 PRESSURE: 4693000 18.611 18.9573 53.0431 18.9577 -74.0027 -117.085 53.0434 -117.086 -50.5342 GPRESSURE: 4693000 57.2643 26.4955 32.1696 -17.9671 -100.418 -130.467 26.2871 -144.431 59.5071 PRESSAVG: 4693000 -16.5174 0.865196 23.3082 0.865218 -18.8361 -99.6891 23.3082 -99.6891 57.7631 GPRESSAVG: 4693000 -16.2393 1.0474 24.06 1.54642 -16.9598 -98.1212 23.3064 -98.5097 55.7404 TIMING: 4693000 CPU: 13585.5, 0.00293192/step Wall: 13585.5, 0.00293192/step, 0.250028 hours remaining, 211.851562 MB of memory in use. ENERGY: 4693000 744.4738 2117.0537 1954.8951 126.5458 -206066.1471 17672.8811 0.0000 0.0000 34295.1421 -149155.1553 299.5080 -183450.2975 -149055.5774 300.0746 -35.3087 5.4510 556926.2603 7.4699 7.5138 PRESSURE: 4693200 38.821 30.0623 -107.442 30.0617 -181.4 -111.868 -107.441 -111.868 -142.84 GPRESSURE: 4693200 68.4913 5.05256 -39.2061 34.9029 -171.505 -103.501 -212.376 -101.826 -101.679 PRESSAVG: 4693200 -44.162 -25.5162 46.023 -25.5162 -13.5199 -57.2062 46.0229 -57.2061 20.0702 GPRESSAVG: 4693200 -45.6257 -24.0294 48.2399 -25.3221 -14.208 -56.4645 46.9468 -58.4386 22.2049 TIMING: 4693200 CPU: 13586.1, 0.00293108/step Wall: 13586.1, 0.00293108/step, 0.249793 hours remaining, 211.851562 MB of memory in use. ENERGY: 4693200 742.2359 2138.8779 1929.0537 105.9389 -206081.1051 17618.8037 0.0000 0.0000 34302.3225 -149243.8725 299.5707 -183546.1950 -149150.0501 299.0875 -95.1395 -68.2310 557386.1659 -12.5372 -12.5429 PRESSURE: 4693400 35.5464 -18.0488 -11.6657 -18.0493 196.262 -86.016 -11.6672 -86.0147 -212.088 GPRESSURE: 4693400 25.3218 66.7613 59.4014 -73.7161 321.2 -15.897 -86.2147 -148.184 -220.744 PRESSAVG: 4693400 15.3353 -48.7004 33.2498 -48.7004 -4.90885 -23.315 33.2498 -23.3151 -22.6936 GPRESSAVG: 4693400 17.5462 -50.0416 30.6052 -49.1352 -5.64754 -22.3747 34.5788 -22.3025 -24.1525 TIMING: 4693400 CPU: 13586.7, 0.002941/step Wall: 13586.7, 0.002941/step, 0.250475 hours remaining, 211.851562 MB of memory in use. ENERGY: 4693400 743.7735 2118.1972 1950.6602 112.8388 -206338.5149 17773.6270 0.0000 0.0000 34492.4106 -149147.0077 301.2308 -183639.4183 -149056.0127 300.2954 6.5735 41.9257 557397.0040 -4.0890 -4.0846 PRESSURE: 4693600 187.876 -67.0584 -100.492 -67.0597 229.981 130.012 -100.493 130.01 174.106 GPRESSURE: 4693600 228.578 -108.245 -30.0636 -3.52661 235.164 124.361 -79.3614 108.729 223.164 PRESSAVG: 4693600 5.56618 6.93172 -5.78541 6.93173 34.8736 -18.1023 -5.78553 -18.1023 13.8085 GPRESSAVG: 4693600 4.23263 6.88842 -5.22524 6.76216 34.9472 -19.6564 -8.21643 -17.1725 15.3865 TIMING: 4693600 CPU: 13587.3, 0.00294153/step Wall: 13587.3, 0.00294153/step, 0.250357 hours remaining, 211.851562 MB of memory in use. ENERGY: 4693600 729.4520 2169.6892 1942.0550 104.7265 -206521.7043 17992.0173 0.0000 0.0000 34251.7204 -149332.0440 299.1288 -183583.7644 -149233.9493 299.5424 197.3212 228.9684 556369.1416 18.0827 18.1888 PRESSURE: 4693800 210.01 7.93299 160.008 7.93332 182.565 150.274 160.007 150.273 277.237 GPRESSURE: 4693800 273.727 -6.76887 177.321 18.9046 221.064 217.814 63.4821 147.448 270.854 PRESSAVG: 4693800 6.5388 19.9927 29.19 19.9926 -18.1347 7.45135 29.1901 7.45136 28.288 GPRESSAVG: 4693800 6.41254 19.5504 30.1929 20.3243 -17.637 8.3993 27.9749 7.0419 27.9985 TIMING: 4693800 CPU: 13587.9, 0.00294635/step Wall: 13587.9, 0.00294635/step, 0.250603 hours remaining, 211.851562 MB of memory in use. ENERGY: 4693800 745.8533 2100.8776 1951.1887 116.8253 -206561.2120 18002.7669 0.0000 0.0000 34295.0923 -149348.6080 299.5076 -183643.7003 -149255.2729 298.9918 223.2706 255.2150 555958.6641 5.5640 5.5913 PRESSURE: 4694000 -91.0794 61.6795 -50.4113 61.6803 59.1842 5.21668 -50.412 5.21657 211.219 GPRESSURE: 4694000 -27.2835 44.7905 -107.324 -9.06412 78.9882 -123.629 -25.5399 54.0936 228.994 PRESSAVG: 4694000 -20.4283 -17.3266 -30.9211 -17.3265 2.79462 10.9341 -30.9211 10.9339 4.78965 GPRESSAVG: 4694000 -19.1154 -16.0936 -31.7231 -15.9999 1.95974 10.4331 -30.1676 8.82141 4.77249 TIMING: 4694000 CPU: 13588.5, 0.00293231/step Wall: 13588.5, 0.00293231/step, 0.249246 hours remaining, 211.851562 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: 4694000 715.5908 2073.9397 1945.4148 123.9462 -206406.5372 17741.5796 0.0000 0.0000 34349.2844 -149456.7816 299.9808 -183806.0661 -149357.4813 299.4165 59.7746 93.5661 556940.2973 -4.2814 -4.1277 PRESSURE: 4694200 74.948 -5.6998 76.1536 -5.70012 -8.84397 50.7571 76.1535 50.7567 -125.247 GPRESSURE: 4694200 95.9871 33.0333 103.812 33.6238 64.9927 105.678 63.2287 -45.7753 -110.542 PRESSAVG: 4694200 44.3747 2.50478 6.64028 2.5048 -49.2216 -1.95487 6.64026 -1.9548 50.8334 GPRESSAVG: 4694200 44.5667 0.444854 5.7444 4.11732 -48.7765 -0.786425 6.93296 -1.60578 50.7127 TIMING: 4694200 CPU: 13589, 0.00290091/step Wall: 13589, 0.00290091/step, 0.246416 hours remaining, 211.851562 MB of memory in use. ENERGY: 4694200 793.7218 2118.5258 1936.3899 119.7968 -206435.8497 17855.0511 0.0000 0.0000 34049.1468 -149563.2175 297.3597 -183612.3643 -149472.9276 298.2190 -19.7144 16.8126 555796.3862 15.3288 15.5010 PRESSURE: 4694400 -57.8402 -73.8572 59.3025 -73.8564 -155.153 62.3914 59.3021 62.3914 -93.3874 GPRESSURE: 4694400 -42.4348 -72.1019 16.8823 -34.0389 -117.282 130.114 141.365 55.8699 -38.615 PRESSAVG: 4694400 13.3683 -10.0239 2.46299 -10.0239 25.1472 -22.0109 2.46292 -22.0109 -5.14409 GPRESSAVG: 4694400 12.6173 -7.79852 1.923 -12.4848 27.0656 -23.2216 2.34584 -21.9384 -6.30831 TIMING: 4694400 CPU: 13589.6, 0.00291626/step Wall: 13589.6, 0.00291626/step, 0.247558 hours remaining, 211.851562 MB of memory in use. ENERGY: 4694400 788.2031 2082.0407 1950.0903 110.9837 -206287.2901 17710.5035 0.0000 0.0000 34094.1395 -149551.3292 297.7526 -183645.4687 -149460.0524 298.7231 -102.1269 -66.1105 556074.0759 11.1238 11.1249 PRESSURE: 4694600 -117.459 8.52784 146.485 8.527 -43.3734 53.6646 146.484 53.6642 -7.1702 GPRESSURE: 4694600 -48.0023 -40.0446 212.926 76.2837 9.3736 -26.9619 122.367 92.3642 -44.8862 PRESSAVG: 4694600 13.1549 -60.6156 83.6318 -60.6157 60.8851 16.1742 83.6317 16.1742 -0.828706 GPRESSAVG: 4694600 12.3861 -60.0747 84.8281 -60.0818 59.819 16.2347 82.5226 15.5413 0.907653 TIMING: 4694600 CPU: 13590.2, 0.00289868/step Wall: 13590.2, 0.00289868/step, 0.245905 hours remaining, 211.851562 MB of memory in use. ENERGY: 4694600 772.2718 2003.8362 1949.8728 109.6332 -206486.7839 17893.1515 0.0000 0.0000 34207.7135 -149550.3049 298.7445 -183758.0184 -149454.6222 298.0378 -56.0009 -27.8383 556174.0409 24.4038 24.3709 PRESSURE: 4694800 13.6662 -147.847 26.5764 -147.847 177.428 -7.57747 26.5756 -7.57697 209.29 GPRESSURE: 4694800 17.3463 -78.1802 61.6551 -188.284 214.385 32.2851 24.0324 -3.15313 277.989 PRESSAVG: 4694800 -12.8942 -30.6705 58.4912 -30.6704 -12.4595 -30.7553 58.4913 -30.7553 14.9727 GPRESSAVG: 4694800 -11.2787 -29.4385 58.8771 -32.9838 -12.0679 -31.3946 59.1868 -29.2873 13.0486 TIMING: 4694800 CPU: 13590.8, 0.00290538/step Wall: 13590.8, 0.00290538/step, 0.246312 hours remaining, 211.851562 MB of memory in use. ENERGY: 4694800 728.1064 2136.2971 1916.2729 119.2343 -206665.7253 18065.9532 0.0000 0.0000 34149.9906 -149549.8707 298.2404 -183699.8613 -149459.9976 298.1349 133.4616 169.9066 556119.3510 -3.4603 -3.4326 PRESSURE: 4695000 -78.8361 107.688 134.394 107.688 -134.76 13.2966 134.395 13.2947 -105.265 GPRESSURE: 4695000 -0.0355488 47.473 170.085 176.697 -100.923 2.75418 204.82 22.7483 -113.03 PRESSAVG: 4695000 2.68635 -21.0292 85.6161 -21.0293 -29.8894 23.4017 85.6161 23.4017 20.3117 GPRESSAVG: 4695000 1.85986 -21.7915 86.8316 -20.3005 -31.2552 22.482 85.282 24.8314 21.8858 TIMING: 4695000 CPU: 13591.4, 0.00292317/step Wall: 13591.4, 0.00292317/step, 0.247658 hours remaining, 211.851562 MB of memory in use. ENERGY: 4695000 746.2888 2084.6696 1962.6275 113.4956 -206172.9776 17584.0696 0.0000 0.0000 34288.3077 -149393.5188 299.4483 -183681.8265 -149298.1149 298.2518 -106.2871 -71.3296 556581.5299 -2.2971 -2.5032 PRESSURE: 4695200 152.042 51.5163 -84.2843 51.5152 29.071 -62.2608 -84.2832 -62.2617 193.568 GPRESSURE: 4695200 240.154 59.068 -56.2247 17.6175 59.3954 -82.9389 -125.112 -29.7817 173.319 PRESSAVG: 4695200 7.46053 -79.6566 2.14406 -79.6567 -7.15869 -20.2321 2.14404 -20.2321 30.3389 GPRESSAVG: 4695200 7.75106 -80.358 0.573539 -78.49 -6.55455 -20.1942 2.65579 -21.5627 29.4487 TIMING: 4695200 CPU: 13591.9, 0.00289451/step Wall: 13591.9, 0.00289451/step, 0.245068 hours remaining, 211.851562 MB of memory in use. ENERGY: 4695200 761.4014 2083.5606 1963.9049 116.4035 -206419.8159 17938.8046 0.0000 0.0000 34329.5148 -149226.2260 299.8082 -183555.7408 -149127.6917 298.9838 124.8935 157.6229 556255.9635 10.2136 10.2151 PRESSURE: 4695400 -126.608 -75.2121 -69.7135 -75.2112 209.989 55.3285 -69.7141 55.3296 -97.7426 GPRESSURE: 4695400 -69.7538 -56.1165 -65.5895 -66.7693 206.654 77.6045 -19.5326 33.1074 -42.025 PRESSAVG: 4695400 5.35728 -42.3763 -41.9026 -42.3763 5.01051 -5.75126 -41.9025 -5.75126 -5.19842 GPRESSAVG: 4695400 5.69146 -41.51 -41.8156 -42.3265 3.70643 -4.5661 -42.1511 -6.15708 -4.02211 TIMING: 4695400 CPU: 13592.5, 0.00289363/step Wall: 13592.5, 0.00289363/step, 0.244834 hours remaining, 211.851562 MB of memory in use. ENERGY: 4695400 717.7562 2111.0943 1959.7029 117.5821 -206200.4815 17854.4637 0.0000 0.0000 34094.2815 -149345.6007 297.7538 -183439.8822 -149244.3969 299.1476 -4.7874 31.6252 557872.5820 1.7231 1.7919 PRESSURE: 4695600 145.974 34.6968 28.3274 34.6959 136.696 -9.53212 28.3278 -9.53255 -223.633 GPRESSURE: 4695600 209.735 11.2803 37.9766 52.3967 172.944 -43.9269 123.376 -27.7361 -240.458 PRESSAVG: 4695600 -0.0156596 -13.3131 -52.8046 -13.3131 10.682 -17.0196 -52.8047 -17.0197 -17.6644 GPRESSAVG: 4695600 -0.168828 -13.029 -53.9638 -13.5624 11.8569 -18.5166 -51.777 -17.7341 -17.9821 TIMING: 4695600 CPU: 13593.1, 0.00291861/step Wall: 13593.1, 0.00291861/step, 0.246785 hours remaining, 211.851562 MB of memory in use. ENERGY: 4695600 724.1176 2045.8194 1964.8337 109.8343 -206277.2731 17721.8588 0.0000 0.0000 34259.2665 -149451.5428 299.1947 -183710.8093 -149361.7454 298.5627 19.6791 47.4072 556252.0952 -2.3327 -2.0980 PRESSURE: 4695800 -161.716 -74.1404 -39.0416 -74.1387 -91.5227 -43.5454 -39.0416 -43.5446 -202.672 GPRESSURE: 4695800 -157.988 -92.3754 34.2766 -43.042 -25.7702 -38.5043 -140.147 19.1452 -185.633 PRESSAVG: 4695800 -2.12053 -12.4604 -12.9726 -12.4604 40.1114 -4.38093 -12.9726 -4.38092 -30.3334 GPRESSAVG: 4695800 -3.39284 -11.8676 -10.2996 -14.5244 40.035 -3.98568 -16.4388 -3.52852 -28.6519 TIMING: 4695800 CPU: 13593.7, 0.00288898/step Wall: 13593.7, 0.00288898/step, 0.244119 hours remaining, 211.851562 MB of memory in use. ENERGY: 4695800 715.6047 2051.5950 1919.7582 106.9153 -205875.0007 17476.4986 0.0000 0.0000 34159.5886 -149445.0403 298.3242 -183604.6289 -149346.4979 298.2825 -151.9700 -123.1303 558299.4219 2.5525 2.6634 PRESSURE: 4696000 -101.141 59.5573 -22.2332 59.5579 20.3347 84.5888 -22.2342 84.5886 -96.0035 GPRESSURE: 4696000 -80.9234 42.4667 -44.1842 86.6156 36.5763 -1.95196 16.8304 70.7442 -43.1921 PRESSAVG: 4696000 -7.9536 71.8815 25.2948 71.8816 -29.8508 -8.87087 25.2949 -8.87071 21.9942 GPRESSAVG: 4696000 -5.54953 71.2034 23.3646 75.1689 -30.2354 -11.1301 28.259 -8.8911 20.1359 TIMING: 4696000 CPU: 13594.3, 0.00286835/step Wall: 13594.3, 0.00286835/step, 0.242217 hours remaining, 211.851562 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: 4696000 711.3050 2087.2968 1960.8902 110.6482 -206209.5734 17559.9456 0.0000 0.0000 34399.1721 -149380.3154 300.4165 -183779.4875 -149287.0686 298.6853 -58.9367 -29.1797 556663.8740 -5.2701 -5.2163 PRESSURE: 4696200 -287.272 187.692 38.1682 187.691 -260.504 95.3248 38.1686 95.3252 -295.411 GPRESSURE: 4696200 -289.029 115.287 -1.48186 259.291 -202.82 23.1927 35.1462 112.209 -269.336 PRESSAVG: 4696200 -2.33578 26.3167 13.5673 26.3168 8.96494 33.775 13.5674 33.775 -18.1417 GPRESSAVG: 4696200 -2.78786 27.6775 12.9815 25.4633 8.93722 36.3491 14.4664 33.6002 -17.7435 TIMING: 4696200 CPU: 13594.8, 0.00290371/step Wall: 13594.8, 0.00290371/step, 0.245041 hours remaining, 211.851562 MB of memory in use. ENERGY: 4696200 767.6395 2065.2607 1945.7150 130.3227 -205908.7443 17622.8551 0.0000 0.0000 34033.6185 -149343.3327 297.2241 -183376.9512 -149250.3925 299.2561 -281.0624 -253.7284 558850.0251 -3.8375 -3.8647 LDB: ============= START OF LOAD BALANCING ============== 13598.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13598.2 LDB: =============== DONE WITH MIGRATION ================ 13598.2 LDB: ============= START OF LOAD BALANCING ============== 13598.5 LDB: Largest compute 4800 load 0.027104 is 23.0% of average load 0.118001 LDB: Average compute 0.001732 is 1.5% of average load 0.118001 LDB: TIME 13598.5 LOAD: AVG 0.118001 MAX 0.176664 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.66 MB LDB: TIME 13598.5 LOAD: AVG 0.118001 MAX 0.176664 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.664 MB LDB: TIME 13598.5 LOAD: AVG 0.118001 MAX 0.176664 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.664 MB LDB: ============== END OF LOAD BALANCING =============== 13598.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13598.5 PRESSURE: 4696400 50.4403 21.031 -64.0631 21.0307 -176.898 -86.0354 -64.0643 -86.0345 19.4445 GPRESSURE: 4696400 118.527 124.299 -88.5387 6.89647 -216.365 -71.7268 -67.3403 -51.0607 81.9161 PRESSAVG: 4696400 -19.5117 9.37368 25.2412 9.37362 -21.311 39.4678 25.2412 39.4679 23.3952 GPRESSAVG: 4696400 -20.6166 8.28451 27.1369 8.65802 -20.3146 36.9105 24.7169 40.8519 23.7115 TIMING: 4696400 CPU: 13595.4, 0.0029798/step Wall: 13595.4, 0.0029798/step, 0.251296 hours remaining, 210.480469 MB of memory in use. ENERGY: 4696400 753.9562 2064.3283 1924.7733 113.6335 -206371.6273 17750.7405 0.0000 0.0000 34440.7887 -149323.4067 300.7800 -183764.1954 -149228.0840 298.6984 -35.6711 -5.3072 558780.0331 -5.8092 -5.7399 PRESSURE: 4696600 181.195 40.7488 28.2899 40.7497 -12.6356 231.311 28.2899 231.311 2.67889 GPRESSURE: 4696600 210.716 40.3933 -42.2017 -1.82139 80.9973 224.822 78.9083 245.702 -17.7313 PRESSAVG: 4696600 -32.2478 0.461975 -14.8591 0.461955 4.58633 14.6014 -14.859 14.6015 26.8471 GPRESSAVG: 4696600 -30.9283 0.484814 -14.6795 -0.516075 4.20796 16.1219 -16.6958 13.4552 25.3583 TIMING: 4696600 CPU: 13596, 0.00291497/step Wall: 13596, 0.00291497/step, 0.245667 hours remaining, 210.480469 MB of memory in use. ENERGY: 4696600 706.1778 2050.7703 1945.3201 115.2709 -206121.7884 17961.6990 0.0000 0.0000 34230.0900 -149112.4602 298.9399 -183342.5502 -149015.9483 299.6272 57.0795 91.3273 557862.8602 -0.2715 -0.4540 PRESSURE: 4696800 -134.207 -3.02961 -49.9724 -3.02982 -173.772 -32.4317 -49.9725 -32.4312 1.49082 GPRESSURE: 4696800 -72.9653 -56.0822 22.7254 41.5303 -151.694 -36.1086 -15.358 -25.9544 23.668 PRESSAVG: 4696800 51.9688 -9.25755 -38.5057 -9.25754 -73.5249 28.6719 -38.5058 28.672 32.3983 GPRESSAVG: 4696800 51.6434 -9.80475 -39.098 -7.87615 -73.5813 29.6141 -36.6545 29.3943 33.3421 TIMING: 4696800 CPU: 13596.6, 0.00293329/step Wall: 13596.6, 0.00293329/step, 0.247048 hours remaining, 210.480469 MB of memory in use. ENERGY: 4696800 774.9784 2046.9432 1955.4324 108.1842 -205791.0772 17456.3043 0.0000 0.0000 34295.0442 -149154.1906 299.5072 -183449.2348 -149058.4850 299.7999 -102.1627 -66.9971 556196.3782 3.6141 3.8014 PRESSURE: 4697000 282.305 185.389 -188.325 185.389 305.414 -161.225 -188.324 -161.224 35.243 GPRESSURE: 4697000 359.664 97.6752 -193.668 175.298 336.734 -187.08 -181.779 -156.8 14.5955 PRESSAVG: 4697000 -13.6518 81.6168 -40.4497 81.6169 -7.84196 30.0723 -40.4498 30.0722 10.2795 GPRESSAVG: 4697000 -12.655 81.6428 -41.168 80.8142 -8.02992 28.4258 -40.2381 30.2396 9.40741 TIMING: 4697000 CPU: 13597.2, 0.0029218/step Wall: 13597.2, 0.0029218/step, 0.245918 hours remaining, 210.480469 MB of memory in use. ENERGY: 4697000 711.7858 2107.9062 1944.0792 109.4121 -206211.5858 17983.2336 0.0000 0.0000 34302.0879 -149053.0811 299.5687 -183355.1690 -148959.5955 299.4342 207.6540 236.9980 556915.0376 -3.7381 -3.7592 PRESSURE: 4697200 -261.574 75.5241 -168.803 75.5236 -53.8058 -19.9068 -168.802 -19.9088 93.7791 GPRESSURE: 4697200 -167.777 8.86923 -91.1384 63.3833 -18.8803 -56.9714 -259.948 15.8677 68.4811 PRESSAVG: 4697200 45.101 48.8016 -42.4971 48.8016 14.7478 36.2512 -42.4973 36.2511 -16.0048 GPRESSAVG: 4697200 44.8602 49.5022 -43.5157 47.8626 14.3197 38.8396 -43.4692 33.9718 -15.9963 TIMING: 4697200 CPU: 13597.8, 0.00292304/step Wall: 13597.8, 0.00292304/step, 0.24586 hours remaining, 210.480469 MB of memory in use. ENERGY: 4697200 764.1956 2069.9317 1935.8712 112.6965 -205846.0305 17611.8607 0.0000 0.0000 34420.3726 -148931.1022 300.6017 -183351.4748 -148835.2266 300.3297 -73.8668 -39.3920 557875.6818 14.6147 14.3945 PRESSURE: 4697400 23.6478 128.23 173.883 128.23 -227.073 -35.0237 173.882 -35.0244 -172.955 GPRESSURE: 4697400 38.5006 73.2139 126.719 163.09 -230.1 -59.4532 233.689 6.20356 -93.2467 PRESSAVG: 4697400 -28.5192 5.89231 -10.7384 5.89236 -6.43772 29.6896 -10.7385 29.6897 -0.458594 GPRESSAVG: 4697400 -30.4012 4.80358 -10.2013 7.98515 -5.95927 30.0487 -10.8506 30.3525 0.942508 TIMING: 4697400 CPU: 13598.4, 0.00293248/step Wall: 13598.4, 0.00293248/step, 0.246491 hours remaining, 210.683594 MB of memory in use. ENERGY: 4697400 785.3989 2101.1297 1947.0369 109.5829 -205908.6942 17705.3701 0.0000 0.0000 34232.7110 -149027.4647 298.9628 -183260.1757 -148937.9057 299.9153 -125.4604 -94.9488 557589.4051 -11.8052 -11.8060 PRESSURE: 4697600 -225.566 189.158 -18.505 189.159 -238.636 56.7755 -18.5037 56.7769 -99.9091 GPRESSURE: 4697600 -150.001 212.646 46.2669 182.092 -207.368 -69.1984 -16.761 0.0015223 -99.4649 PRESSAVG: 4697600 0.82638 -4.76659 -4.31806 -4.76665 -4.52911 34.4572 -4.31811 34.4572 28.1483 GPRESSAVG: 4697600 2.50081 -4.77346 -1.27328 -5.07131 -5.39993 31.2727 -4.52747 35.9063 27.1063 TIMING: 4697600 CPU: 13598.9, 0.00290224/step Wall: 13598.9, 0.00290224/step, 0.243788 hours remaining, 210.683594 MB of memory in use. ENERGY: 4697600 778.1371 2136.2546 1961.3422 107.3581 -205967.4054 17552.6311 0.0000 0.0000 34386.4533 -149045.2289 300.3054 -183431.6822 -148955.0895 300.2083 -188.0368 -152.2780 557090.6493 8.1485 8.0690 PRESSURE: 4697800 11.738 80.1809 166.285 80.1825 249.227 37.2193 166.284 37.2194 -174.146 GPRESSURE: 4697800 13.5527 67.9109 202.613 15.9953 303.288 77.6477 154.256 47.8167 -127.984 PRESSAVG: 4697800 5.63557 -2.18737 5.3629 -2.18742 -12.4407 -1.8991 5.36283 -1.89912 4.0437 GPRESSAVG: 4697800 5.2322 -0.980489 2.40918 -2.55568 -12.3188 -1.49127 5.94944 -2.88766 4.29822 TIMING: 4697800 CPU: 13599.5, 0.00291368/step Wall: 13599.5, 0.00291368/step, 0.244587 hours remaining, 210.683594 MB of memory in use. ENERGY: 4697800 746.7614 2048.1418 1947.9865 116.2130 -205826.8709 17683.4899 0.0000 0.0000 34330.8260 -148953.4523 299.8196 -183284.2783 -148851.4644 300.1424 28.9397 62.9522 556905.6812 -0.9205 -0.9295 PRESSURE: 4698000 -120.335 -29.9305 -99.7721 -29.9313 -166.063 -62.142 -99.7725 -62.1424 88.4334 GPRESSURE: 4698000 -53.5718 -70.0889 -103.667 -50.2177 -176.751 33.0588 -56.7369 -86.2516 127.908 PRESSAVG: 4698000 -3.66071 23.7267 -14.5844 23.7266 -23.9483 9.21817 -14.5844 9.21812 18.4866 GPRESSAVG: 4698000 -3.2469 23.5098 -12.611 23.8888 -25.0498 7.79654 -14.9808 11.3322 18.9826 TIMING: 4698000 CPU: 13600.1, 0.00292765/step Wall: 13600.1, 0.00292765/step, 0.245597 hours remaining, 210.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4698000 751.8473 2101.3248 1932.1098 122.7144 -206135.5176 17835.0423 0.0000 0.0000 34350.8218 -149041.6572 299.9943 -183392.4790 -148939.4404 300.1203 -65.9881 -34.1384 558094.5798 -3.0408 -3.1047 PRESSURE: 4698200 -160.647 26.3689 -164.388 26.3681 -376.566 -91.6771 -164.388 -91.6784 -187.175 GPRESSURE: 4698200 -138.473 -12.4567 -100.672 -45.5913 -279.852 -82.8068 -140.917 -37.0405 -199.6 PRESSAVG: 4698200 52.6425 61.2071 -49.0238 61.2071 -3.74036 -46.4758 -49.0238 -46.4758 -21.3301 GPRESSAVG: 4698200 51.3595 60.9804 -50.0519 59.7793 -2.15074 -42.8378 -48.514 -48.7186 -21.8478 TIMING: 4698200 CPU: 13600.7, 0.00291378/step Wall: 13600.7, 0.00291378/step, 0.244272 hours remaining, 210.683594 MB of memory in use. ENERGY: 4698200 740.9638 2177.3813 1940.1419 103.7252 -205754.6425 17328.7502 0.0000 0.0000 34454.8063 -149008.8738 300.9024 -183463.6801 -148914.8980 300.2319 -241.4626 -205.9749 558425.3413 9.1907 9.1203 PRESSURE: 4698400 -194.622 -91.2983 20.1331 -91.2966 211.223 21.9361 20.1339 21.9375 198.998 GPRESSURE: 4698400 -144.05 -171.974 -40.4655 -100.661 231.757 84.9127 98.1495 -13.7383 231.183 PRESSAVG: 4698400 -6.39521 10.4805 -21.0445 10.4804 47.0394 30.4629 -21.0445 30.463 -21.2487 GPRESSAVG: 4698400 -5.93428 9.88931 -19.9551 10.537 45.8991 29.1646 -22.1536 30.7229 -20.3517 TIMING: 4698400 CPU: 13601.3, 0.0029244/step Wall: 13601.3, 0.0029244/step, 0.244999 hours remaining, 210.683594 MB of memory in use. ENERGY: 4698400 764.4056 2088.0281 1963.0292 110.1878 -206087.6545 17717.5117 0.0000 0.0000 34416.6480 -149027.8440 300.5691 -183444.4920 -148925.5118 300.1881 71.8665 106.2964 556779.7165 6.4652 6.5377 PRESSURE: 4698600 -10.1518 -31.7204 81.9499 -31.7202 -152.31 43.6184 81.9501 43.6188 -178.774 GPRESSURE: 4698600 53.8088 -1.82789 74.962 -56.0052 -132.781 -47.1957 125.264 144.553 -173.698 PRESSAVG: 4698600 -0.838059 -12.4666 -3.85473 -12.4666 23.1459 -34.9163 -3.8547 -34.9163 13.3276 GPRESSAVG: 4698600 -0.156426 -13.0273 -5.44578 -11.519 22.0543 -36.5508 -2.72055 -35.1724 13.1351 TIMING: 4698600 CPU: 13601.9, 0.00293244/step Wall: 13601.9, 0.00293244/step, 0.24551 hours remaining, 210.683594 MB of memory in use. ENERGY: 4698600 786.6155 2093.9466 1976.6710 95.3603 -205946.4861 17543.9482 0.0000 0.0000 34471.1809 -148978.7636 301.0454 -183449.9445 -148879.7957 300.8413 -113.7453 -84.2233 557532.7011 11.8785 11.6776 PRESSURE: 4698800 -48.8243 -80.1128 -50.9115 -80.1122 55.1474 55.301 -50.9116 55.3023 -120.424 GPRESSURE: 4698800 26.7552 -126.62 -102.742 49.7915 20.8509 18.2396 -6.87481 67.2183 -58.9077 PRESSAVG: 4698800 -43.6827 -3.17811 4.59658 -3.17812 17.3464 9.3902 4.59657 9.39025 9.43746 GPRESSAVG: 4698800 -44.5876 -1.59341 4.39547 -4.73686 17.8173 9.77869 4.65855 9.67067 10.2667 TIMING: 4698800 CPU: 13602.4, 0.00293102/step Wall: 13602.4, 0.00293102/step, 0.245228 hours remaining, 210.683594 MB of memory in use. ENERGY: 4698800 741.5808 2095.9543 1947.5071 105.9964 -206087.1162 17756.7881 0.0000 0.0000 34496.2151 -148943.0745 301.2640 -183439.2896 -148847.3604 300.0802 -38.0336 -3.7672 558803.6536 -5.6329 -5.5012 PRESSURE: 4699000 -286.08 17.0552 7.92124 17.0547 201.625 16.5993 7.92171 16.5998 211.861 GPRESSURE: 4699000 -276.182 53.0401 -46.0808 7.79855 246.565 40.0011 -15.6834 -32.1331 265.779 PRESSAVG: 4699000 -14.144 -31.7306 -60.7917 -31.7306 19.6444 49.1016 -60.7918 49.1015 27.5866 GPRESSAVG: 4699000 -14.3078 -31.2691 -61.9643 -30.5122 20.3918 49.3866 -63.9507 47.9025 27.3506 TIMING: 4699000 CPU: 13603, 0.00293391/step Wall: 13603, 0.00293391/step, 0.245307 hours remaining, 210.683594 MB of memory in use. ENERGY: 4699000 731.2799 2115.8021 1956.8192 109.4680 -206346.2321 17983.2853 0.0000 0.0000 34380.2219 -149069.3557 300.2510 -183449.5776 -148969.2290 300.0919 42.4687 78.7205 558045.4776 11.0290 11.1449 PRESSURE: 4699200 66.704 71.8425 -7.85145 71.843 -40.3135 102.125 -7.85164 102.125 -174.931 GPRESSURE: 4699200 60.9186 83.3781 11.1783 95.7448 -28.4488 62.4333 20.2633 136.254 -84.3791 PRESSAVG: 4699200 7.6553 24.1964 -1.84777 24.1964 -25.0009 50.9116 -1.84787 50.9117 20.855 GPRESSAVG: 4699200 8.13336 23.5632 -0.476245 23.4158 -24.9757 52.1431 -0.185487 52.1263 20.2195 TIMING: 4699200 CPU: 13603.6, 0.00292946/step Wall: 13603.6, 0.00292946/step, 0.244773 hours remaining, 210.683594 MB of memory in use. ENERGY: 4699200 735.8819 2080.7036 1944.2936 104.8551 -205931.0705 17636.9379 0.0000 0.0000 34197.8871 -149230.5113 298.6587 -183428.3983 -149139.2455 299.0300 -49.5136 -17.3031 557413.7424 1.1698 1.1257 PRESSURE: 4699400 -159.374 16.4732 166.105 16.4743 144.667 75.6665 166.104 75.6656 -140.165 GPRESSURE: 4699400 -134.851 -13.1469 117.642 72.3249 158.223 63.2543 136.199 53.2914 -87.9496 PRESSAVG: 4699400 -9.90329 43.7482 5.08683 43.7482 -47.6521 48.1343 5.0868 48.1342 13.6439 GPRESSAVG: 4699400 -9.81439 44.2152 5.15743 43.501 -48.4729 47.6613 5.31187 46.2626 14.1764 TIMING: 4699400 CPU: 13604.2, 0.00291664/step Wall: 13604.2, 0.00291664/step, 0.243539 hours remaining, 210.683594 MB of memory in use. ENERGY: 4699400 723.3844 2053.2747 1951.8209 107.9938 -206113.0015 17745.6008 0.0000 0.0000 34240.6207 -149290.3062 299.0319 -183530.9269 -149191.5079 299.6520 -51.6237 -21.5259 558607.6899 -14.6372 -14.7036 PRESSURE: 4699600 -226.714 -95.4858 79.4436 -95.4879 -111.477 98.3824 79.4436 98.3826 -287.608 GPRESSURE: 4699600 -214.14 -44.7238 215.508 -119.538 -106.781 118.238 72.9354 13.9737 -214.072 PRESSAVG: 4699600 -1.22916 -12.0621 -12.6422 -12.0621 -56.2953 30.0556 -12.6422 30.0557 29.235 GPRESSAVG: 4699600 -1.61548 -12.5941 -13.2862 -10.7286 -56.0424 30.408 -12.9713 31.9698 29.8752 TIMING: 4699600 CPU: 13604.8, 0.00294336/step Wall: 13604.8, 0.00294336/step, 0.245607 hours remaining, 210.683594 MB of memory in use. ENERGY: 4699600 742.6935 2095.8079 1959.1014 117.2855 -206305.7134 17602.5112 0.0000 0.0000 34249.2422 -149539.0717 299.1072 -183788.3139 -149436.7900 299.0833 -208.5997 -178.3311 557979.5205 -9.4298 -9.2609 PRESSURE: 4699800 -96.7325 159.944 -43.1286 159.943 22.3012 64.6512 -43.1305 64.6499 86.3847 GPRESSURE: 4699800 -75.261 145.557 -46.0767 96.283 85.6315 5.46977 -56.407 92.5216 94.0874 PRESSAVG: 4699800 -64.6164 11.9485 16.4097 11.9485 14.6847 -11.1549 16.4097 -11.1548 43.1808 GPRESSAVG: 4699800 -64.9352 13.7525 17.0243 9.91208 14.5038 -10.5501 16.9638 -10.8846 43.1436 TIMING: 4699800 CPU: 13605.4, 0.00293439/step Wall: 13605.4, 0.00293439/step, 0.244696 hours remaining, 210.683594 MB of memory in use. ENERGY: 4699800 767.7362 2049.2958 1933.0314 118.6976 -206610.1682 17983.5127 0.0000 0.0000 34247.6941 -149510.2004 299.0936 -183757.8945 -149408.6551 298.7375 3.9845 34.8193 558001.2295 -2.2503 -2.4293 WRITING VELOCITIES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4700000 WRITING COORDINATES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4700000 72.2227 -46.4083 -50.7901 -46.4074 127.182 2.29214 -50.7892 2.28994 -6.00821 GPRESSURE: 4700000 116.172 -2.85132 -62.8882 -97.7587 178.219 -11.8409 -51.0836 -83.0672 -11.0551 PRESSAVG: 4700000 -52.7508 5.53077 26.5813 5.5308 -12.8316 31.0082 26.5814 31.0081 77.2353 GPRESSAVG: 4700000 -52.746 4.97748 27.1583 6.80545 -13.0403 29.0205 27.7854 28.8596 77.0702 TIMING: 4700000 CPU: 13606, 0.00300289/step Wall: 13606, 0.00300289/step, 0.25024 hours remaining, 210.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4700000 732.1317 2077.0063 1958.1148 110.6307 -206582.3000 18023.4719 0.0000 0.0000 34382.5765 -149298.3681 300.2716 -183680.9446 -149201.9276 298.5590 64.4655 94.4452 557854.5051 3.8843 3.7613 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 PRESSURE: 4700200 -381.562 23.6926 -67.2345 23.6929 -134.402 -45.3036 -67.2352 -45.3017 -165.703 GPRESSURE: 4700200 -289.647 15.4131 -121.335 34.3767 -163.271 -158.224 -77.1977 -42.9068 -146.98 PRESSAVG: 4700200 -49.8722 52.0341 2.57041 52.0341 -5.92646 34.2155 2.57043 34.2154 54.7044 GPRESSAVG: 4700200 -48.9837 53.3329 2.3172 51.5669 -5.65592 35.5533 0.349249 34.2249 53.5625 TIMING: 4700200 CPU: 13606.6, 0.00294962/step Wall: 13606.6, 0.00294962/step, 0.245638 hours remaining, 210.683594 MB of memory in use. ENERGY: 4700200 755.6127 2106.6091 1944.7232 124.6702 -205965.2875 17532.3951 0.0000 0.0000 34161.0084 -149340.2689 298.3366 -183501.2772 -149240.9411 298.8591 -227.2225 -199.9661 557989.5693 -0.3648 -0.3590 LDB: ============= START OF LOAD BALANCING ============== 13610 LDB: ============== END OF LOAD BALANCING =============== 13610 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13610 LDB: ============= START OF LOAD BALANCING ============== 13610.3 LDB: Largest compute 4800 load 0.027412 is 23.2% of average load 0.117977 LDB: Average compute 0.001734 is 1.5% of average load 0.117977 LDB: TIME 13610.3 LOAD: AVG 0.117977 MAX 0.182633 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.203 MB LDB: TIME 13610.3 LOAD: AVG 0.117977 MAX 0.182633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.445 MB LDB: TIME 13610.3 LOAD: AVG 0.117977 MAX 0.182633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13610.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13610.3 PRESSURE: 4700400 -357.694 -116.066 -116.509 -116.066 -63.1527 3.90314 -116.509 3.90261 -299.139 GPRESSURE: 4700400 -286.189 -88.7168 -179.996 -195.723 -90.5087 71.4693 -58.4382 -26.2756 -241.762 PRESSAVG: 4700400 34.5353 12.2311 -22.2372 12.2311 -12.0815 0.759717 -22.2372 0.759762 8.15987 GPRESSAVG: 4700400 33.093 12.4817 -24.8051 11.6259 -11.3206 0.535231 -18.9265 0.614418 9.12726 TIMING: 4700400 CPU: 13607.2, 0.00299974/step Wall: 13607.2, 0.00299974/step, 0.249645 hours remaining, 210.105469 MB of memory in use. ENERGY: 4700400 758.2251 2087.8163 1937.3642 112.3870 -206123.9474 17649.1424 0.0000 0.0000 34175.9847 -149403.0277 298.4674 -183579.0124 -149289.8397 299.3120 -239.9952 -206.1535 558573.4986 10.2045 10.2999 PRESSURE: 4700600 -92.8715 142.917 -130.731 142.917 169.044 -111.748 -130.732 -111.748 3.19059 GPRESSURE: 4700600 -48.887 79.8324 -170.804 123.389 185.569 -8.19799 -111.007 -175.952 25.7746 PRESSAVG: 4700600 -22.0871 45.2601 -11.5747 45.2601 -6.79908 -19.0319 -11.5747 -19.0319 9.44775 GPRESSAVG: 4700600 -21.0392 42.9851 -10.2351 46.9091 -7.39047 -16.8229 -12.6123 -19.2961 8.38582 TIMING: 4700600 CPU: 13607.8, 0.00292391/step Wall: 13607.8, 0.00292391/step, 0.243172 hours remaining, 210.304688 MB of memory in use. ENERGY: 4700600 759.6690 2122.4714 1955.1771 112.7381 -206677.2448 17959.9723 0.0000 0.0000 34278.9453 -149488.2716 299.3666 -183767.2168 -149392.5974 298.7518 26.4543 54.1522 557923.2764 -6.4795 -6.6813 PRESSURE: 4700800 149.186 138.765 -103.608 138.765 296.827 4.82119 -103.607 4.82142 76.4985 GPRESSURE: 4700800 149.053 40.8772 -91.8375 192.698 289.548 42.5154 -90.6978 -60.5832 195.731 PRESSAVG: 4700800 -65.4267 58.8873 47.4684 58.8873 28.1513 -17.1481 47.4684 -17.1482 40.4154 GPRESSAVG: 4700800 -65.9137 58.144 49.6097 58.9972 28.0501 -19.5332 46.6202 -15.7946 40.9532 TIMING: 4700800 CPU: 13608.3, 0.00296506/step Wall: 13608.3, 0.00296506/step, 0.246429 hours remaining, 210.304688 MB of memory in use. ENERGY: 4700800 768.1838 2137.8135 1932.3329 106.2791 -206678.0219 18003.3008 0.0000 0.0000 34208.1382 -149521.9736 298.7482 -183730.1118 -149432.1326 298.7953 174.1704 211.4443 554555.7166 1.0466 1.0299 PRESSURE: 4701000 4.97997 -42.3479 25.5714 -42.3471 8.70022 69.915 25.5719 69.9138 183.773 GPRESSURE: 4701000 33.4946 -154.831 52.689 11.8993 50.2722 18.2172 -10.6254 144.039 217.329 PRESSAVG: 4701000 -18.1225 53.515 42.6171 53.515 26.8283 8.85226 42.6172 8.85223 19.1163 GPRESSAVG: 4701000 -19.1661 53.8428 40.3336 55.4013 27.3291 8.1572 42.5494 9.42771 19.1065 TIMING: 4701000 CPU: 13608.9, 0.00296097/step Wall: 13608.9, 0.00296097/step, 0.245925 hours remaining, 210.304688 MB of memory in use. ENERGY: 4701000 755.0833 2097.1698 1968.5310 112.3233 -206636.9982 18053.8683 0.0000 0.0000 34218.3038 -149431.7188 298.8370 -183650.0226 -149333.0035 298.8563 65.8176 100.3653 557120.8100 9.2740 9.0898 PRESSURE: 4701200 -138.376 7.94321 112.768 7.94288 49.2817 65.1565 112.768 65.1562 -27.6105 GPRESSURE: 4701200 -100.799 65.2001 133.61 43.3104 66.0784 6.04259 116.292 -3.48523 27.5314 PRESSAVG: 4701200 -1.9658 30.5542 27.0216 30.5541 -27.5568 8.67756 27.0216 8.67761 77.4468 GPRESSAVG: 4701200 -0.658212 32.1774 28.3165 27.422 -28.8128 8.73636 26.424 7.76505 77.4351 TIMING: 4701200 CPU: 13609.5, 0.0029269/step Wall: 13609.5, 0.0029269/step, 0.242933 hours remaining, 210.304688 MB of memory in use. ENERGY: 4701200 739.4538 2133.8070 1942.9225 119.3648 -206678.5390 18058.1828 0.0000 0.0000 34044.6807 -149640.1276 297.3207 -183684.8082 -149544.8708 298.8040 -38.9015 -2.3962 556605.5712 15.9747 15.9880 PRESSURE: 4701400 -436.731 20.2191 -35.8547 20.2197 -459.926 -245.53 -35.8543 -245.529 132.315 GPRESSURE: 4701400 -438.462 107.383 52.5286 -59.2826 -394.143 -111.012 24.951 -260.358 162.545 PRESSAVG: 4701400 -6.48351 6.24244 -0.232672 6.24251 -43.1864 -28.1043 -0.232666 -28.1044 38.6216 GPRESSAVG: 4701400 -7.77079 4.6318 0.572704 7.34272 -42.2545 -26.724 1.28092 -29.2988 38.5551 TIMING: 4701400 CPU: 13610.1, 0.00292112/step Wall: 13610.1, 0.00292112/step, 0.242291 hours remaining, 210.304688 MB of memory in use. ENERGY: 4701400 782.1389 2086.4148 1909.8314 129.4252 -206579.3452 17863.5247 0.0000 0.0000 34097.9086 -149710.1015 297.7855 -183808.0101 -149617.3933 298.2458 -254.7810 -223.3531 559260.7503 -3.6828 -3.8234 PRESSURE: 4701600 102.707 -52.0998 19.998 -52.0984 58.6176 146.969 19.9988 146.968 153.23 GPRESSURE: 4701600 135.802 -105.447 37.4729 -16.221 122.073 209.486 5.17703 156.506 156.39 PRESSAVG: 4701600 -3.6059 21.7275 23.2495 21.7276 -74.4507 -27.9266 23.2495 -27.9267 70.4211 GPRESSAVG: 4701600 -3.35666 22.6689 21.5507 20.7118 -74.6489 -30.0447 22.479 -25.153 70.3268 TIMING: 4701600 CPU: 13610.7, 0.00291158/step Wall: 13610.7, 0.00291158/step, 0.241337 hours remaining, 210.304688 MB of memory in use. ENERGY: 4701600 750.1169 2104.7565 1913.8203 109.2034 -206719.6183 18047.9233 0.0000 0.0000 34025.0556 -149768.7423 297.1493 -183793.7979 -149669.6210 297.5361 104.8518 138.0884 557324.1532 -2.5452 -2.5596 PRESSURE: 4701800 76.1186 25.1327 -219.673 25.1317 136.894 183.891 -219.672 183.89 24.8503 GPRESSURE: 4701800 119.232 26.6167 -249.206 -33.5542 119.668 191.646 -192.121 172.078 87.6273 PRESSAVG: 4701800 -6.74507 39.1968 2.61187 39.1967 -24.1382 53.6382 2.61184 53.6381 -6.79217 GPRESSAVG: 4701800 -7.95425 40.9356 3.20097 39.552 -23.5058 58.167 2.94623 51.9913 -5.97119 TIMING: 4701800 CPU: 13611.3, 0.00292748/step Wall: 13611.3, 0.00292748/step, 0.242493 hours remaining, 210.304688 MB of memory in use. ENERGY: 4701800 719.2806 2062.6041 1941.7763 121.9429 -206495.9898 17867.7761 0.0000 0.0000 34220.9582 -149561.6515 298.8601 -183782.6097 -149477.2445 296.5306 79.2876 108.8423 556300.1670 -12.5585 -12.4771 PRESSURE: 4702000 62.8038 68.4238 31.7319 68.4238 78.4235 112.045 31.7326 112.042 -50.8396 GPRESSURE: 4702000 92.0772 75.368 65.553 -4.42398 78.1735 148.061 56.3787 145.451 27.9649 PRESSAVG: 4702000 -4.94018 98.1633 -38.8211 98.1634 -29.1959 4.75233 -38.8211 4.75236 23.4238 GPRESSAVG: 4702000 -3.82639 95.7511 -37.8313 97.0427 -28.4585 2.14319 -38.4006 3.99488 21.5171 TIMING: 4702000 CPU: 13611.9, 0.00292997/step Wall: 13611.9, 0.00292997/step, 0.242536 hours remaining, 210.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4702000 734.1899 2048.2487 1931.1820 131.0369 -206382.2814 17748.2750 0.0000 0.0000 34076.6608 -149712.6882 297.6000 -183789.3489 -149610.6509 297.7298 30.1292 66.0718 554620.6106 -3.5708 -3.5892 PRESSURE: 4702200 -58.9106 -3.85809 -206.479 -3.85838 -178.597 53.7016 -206.479 53.7021 54.4698 GPRESSURE: 4702200 13.013 106.509 -222.238 -65.5042 -96.5437 -3.96077 -292.698 87.9018 12.7646 PRESSAVG: 4702200 -17.6776 -11.0229 -83.1318 -11.0229 54.605 38.8635 -83.1318 38.8635 28.803 GPRESSAVG: 4702200 -17.9358 -10.6265 -81.7894 -8.80107 52.7438 37.087 -85.3042 41.469 30.1154 TIMING: 4702200 CPU: 13612.5, 0.002954/step Wall: 13612.5, 0.002954/step, 0.244362 hours remaining, 210.304688 MB of memory in use. ENERGY: 4702200 756.8770 2043.7031 1928.6212 115.7896 -206307.9578 17803.5635 0.0000 0.0000 33978.5798 -149680.8236 296.7434 -183659.4034 -149581.9343 297.8870 -61.0127 -23.5887 556662.3950 21.9102 21.6411 PRESSURE: 4702400 73.6846 88.8516 127.446 88.8517 311.122 177.142 127.447 177.141 -536.225 GPRESSURE: 4702400 131.226 29.2734 213.677 103.4 320.301 118.688 110.524 197.289 -516.426 PRESSAVG: 4702400 -4.2587 44.8547 -18.0017 44.8547 87.9783 12.8666 -18.0018 12.8666 -50.5737 GPRESSAVG: 4702400 -5.03496 43.9509 -21.6204 45.3504 88.6948 13.9418 -14.4329 11.2114 -51.1202 TIMING: 4702400 CPU: 13613, 0.00294209/step Wall: 13613, 0.00294209/step, 0.243213 hours remaining, 210.304688 MB of memory in use. ENERGY: 4702400 793.1505 2101.5334 1958.4936 116.9691 -206308.2883 17837.5602 0.0000 0.0000 34018.6943 -149481.8872 297.0937 -183500.5814 -149390.7523 298.2533 -50.4729 -21.6331 556143.1961 11.0486 10.8466 PRESSURE: 4702600 -454.515 72.8087 -11.3394 72.8081 -163.477 -25.7844 -11.3397 -25.7852 -186.742 GPRESSURE: 4702600 -374.4 41.138 24.0014 74.1571 -167.481 -61.5428 2.27966 -7.22209 -169.486 PRESSAVG: 4702600 55.8989 36.7247 -9.95125 36.7248 -2.79713 24.3861 -9.95125 24.3862 -63.6518 GPRESSAVG: 4702600 55.7588 36.3746 -9.21666 36.3294 -3.57853 24.4238 -11.0603 26.2775 -62.9374 TIMING: 4702600 CPU: 13613.6, 0.00292508/step Wall: 13613.6, 0.00292508/step, 0.241644 hours remaining, 210.304688 MB of memory in use. ENERGY: 4702600 759.6124 2030.9750 1967.1205 118.0298 -206121.2110 17525.8831 0.0000 0.0000 34271.3209 -149448.2692 299.3000 -183719.5901 -149356.4620 298.7616 -268.2446 -237.1225 557754.6863 -3.5167 -3.5857 PRESSURE: 4702800 -121.766 -97.0272 -102.631 -97.0268 -332.267 -124.629 -102.63 -124.63 -32.7546 GPRESSURE: 4702800 -140.445 -111.489 -85.4278 -134.624 -311.614 -90.4874 -178.536 -130.29 49.6921 PRESSAVG: 4702800 -15.2716 19.0354 -17.3745 19.0354 2.61391 25.6345 -17.3745 25.6344 -5.72067 GPRESSAVG: 4702800 -14.8733 19.005 -16.2417 19.0984 2.61344 26.6599 -18.0529 23.2117 -6.03322 TIMING: 4702800 CPU: 13614.2, 0.00292533/step Wall: 13614.2, 0.00292533/step, 0.241502 hours remaining, 210.304688 MB of memory in use. ENERGY: 4702800 722.8666 2049.2211 1937.3722 109.4067 -206079.3436 17566.8079 0.0000 0.0000 34381.5547 -149312.1144 300.2627 -183693.6691 -149212.7185 298.8942 -162.2626 -134.1222 557191.7421 -6.1261 -6.0977 PRESSURE: 4703000 156.495 -102.847 16.8944 -102.847 -243.097 40.8169 16.8943 40.8166 -199.1 GPRESSURE: 4703000 182.159 -91.2603 35.7152 -144.523 -204.75 120.449 1.0875 -7.41577 -160.314 PRESSAVG: 4703000 -35.0085 -33.293 36.5773 -33.293 28.111 17.0128 36.5772 17.0128 -0.55061 GPRESSAVG: 4703000 -34.8672 -32.3753 36.6455 -33.4605 28.6995 16.833 36.4637 18.1253 -0.959942 TIMING: 4703000 CPU: 13614.8, 0.0029289/step Wall: 13614.8, 0.0029289/step, 0.241634 hours remaining, 210.304688 MB of memory in use. ENERGY: 4703000 723.9288 2040.0892 1966.2379 117.1258 -206072.8709 17594.8447 0.0000 0.0000 34408.8099 -149221.8347 300.5007 -183630.6445 -149119.0667 299.7136 -95.2340 -60.9682 558048.4360 -2.4827 -2.3759 PRESSURE: 4703200 170.219 -32.627 69.9898 -32.6268 326.139 87.2749 69.9899 87.2752 191.44 GPRESSURE: 4703200 226.421 -70.936 150.648 41.8814 316.873 36.3752 158.995 91.9051 237.752 PRESSAVG: 4703200 13.1927 -41.3378 4.35502 -41.3379 14.2463 3.34523 4.35512 3.34514 -23.4052 GPRESSAVG: 4703200 14.0509 -40.9385 3.4697 -42.7664 14.4166 2.41356 3.87447 2.62284 -24.0126 TIMING: 4703200 CPU: 13615.4, 0.00291399/step Wall: 13615.4, 0.00291399/step, 0.240242 hours remaining, 210.304688 MB of memory in use. ENERGY: 4703200 687.2921 1973.0957 1953.1756 104.7634 -206012.6824 17864.9840 0.0000 0.0000 34091.7420 -149337.6296 297.7317 -183429.3716 -149236.3517 299.7018 229.2660 260.3489 557006.7390 1.3446 1.4850 PRESSURE: 4703400 -0.860132 -61.162 -62.7795 -61.1627 24.1351 162.815 -62.7798 162.817 151.373 GPRESSURE: 4703400 1.43126 -34.5769 8.6033 -39.0953 87.4574 95.2252 -111.328 129.281 187.213 PRESSAVG: 4703400 20.4288 51.1381 -43.0261 51.1381 5.40337 61.2954 -43.0262 61.2954 -33.6105 GPRESSAVG: 4703400 19.9069 50.5302 -41.7364 53.7376 4.87068 59.9684 -42.0854 62.9197 -32.5629 TIMING: 4703400 CPU: 13616, 0.00292364/step Wall: 13616, 0.00292364/step, 0.240875 hours remaining, 210.304688 MB of memory in use. ENERGY: 4703400 744.8381 2081.9410 1927.7936 110.7344 -206279.6514 18034.2942 0.0000 0.0000 34091.0720 -149288.9781 297.7258 -183380.0501 -149202.5234 299.1197 58.2161 92.0340 558043.2113 -2.5928 -2.5951 PRESSURE: 4703600 -246.852 38.094 56.5651 38.0942 -12.493 175.217 56.5654 175.218 100.875 GPRESSURE: 4703600 -246.331 -31.9352 33.0979 50.6268 69.5294 215.511 110.308 130.58 120.46 PRESSAVG: 4703600 -5.59067 -44.8563 4.51585 -44.8563 6.50845 -0.75194 4.51577 -0.751877 23.0912 GPRESSAVG: 4703600 -7.19227 -44.8173 5.00925 -45.4638 8.2519 1.86869 4.76199 -1.62391 22.6663 TIMING: 4703600 CPU: 13616.6, 0.00292676/step Wall: 13616.6, 0.00292676/step, 0.24097 hours remaining, 210.304688 MB of memory in use. ENERGY: 4703600 705.4078 2023.0219 1959.6304 108.2657 -206208.0079 17818.3031 0.0000 0.0000 34505.9242 -149087.4549 301.3488 -183593.3791 -148986.0604 299.5262 -52.8233 -18.7806 557913.8033 8.0030 7.9086 PRESSURE: 4703800 -86.7768 -97.1981 -109.582 -97.1982 -155.651 103.272 -109.582 103.272 216.811 GPRESSURE: 4703800 -24.8547 -10.7132 -79.7103 -109.578 -110.28 23.9043 -132.369 124.896 207.429 PRESSAVG: 4703800 -50.1129 -23.1627 15.0288 -23.1626 -8.42142 54.1606 15.0287 54.1607 43.8798 GPRESSAVG: 4703800 -48.7797 -23.4578 16.1635 -22.6951 -10.0892 54.4879 14.497 53.5515 43.5056 TIMING: 4703800 CPU: 13617.1, 0.00290944/step Wall: 13617.1, 0.00290944/step, 0.239382 hours remaining, 210.371094 MB of memory in use. ENERGY: 4703800 745.7690 2078.4799 1920.6783 108.4639 -205937.1347 17874.6861 0.0000 0.0000 34189.1417 -149019.9158 298.5823 -183209.0575 -148916.5299 299.8329 -8.5388 24.0979 560244.1995 -4.8848 -5.1211 PRESSURE: 4704000 -0.121428 73.794 -72.12 73.7951 38.3191 74.644 -72.1207 74.6427 -14.7197 GPRESSURE: 4704000 -25.8288 113.898 -138.635 84.2234 157.892 25.1841 -79.7056 83.8465 -8.01503 PRESSAVG: 4704000 -29.1522 -42.5417 -8.05712 -42.5417 26.8851 33.5807 -8.05712 33.5807 -12.9368 GPRESSAVG: 4704000 -29.5629 -39.9787 -9.05742 -45.0887 27.8293 31.7611 -7.60108 33.9557 -13.3918 TIMING: 4704000 CPU: 13617.7, 0.00290377/step Wall: 13617.7, 0.00290377/step, 0.238754 hours remaining, 210.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4704000 758.5386 2079.5523 1959.4170 114.6611 -206044.2254 17956.2218 0.0000 0.0000 34109.3073 -149066.5273 297.8851 -183175.8346 -148972.0678 299.6011 7.8260 41.3494 558181.2676 -5.0680 -5.0418 PRESSURE: 4704200 142.913 -8.97929 -34.1907 -8.97882 61.466 -22.765 -34.1919 -22.7653 129.095 GPRESSURE: 4704200 143.647 -6.7778 -165.172 -28.1671 127.791 7.00354 8.67497 -15.8908 149.39 PRESSAVG: 4704200 -14.5722 -20.8475 -13.8193 -20.8476 14.2612 -1.77025 -13.8194 -1.77039 -13.0437 GPRESSAVG: 4704200 -14.6086 -21.8238 -17.3486 -20.077 13.1032 1.15475 -12.1441 -3.43772 -11.7751 TIMING: 4704200 CPU: 13618.3, 0.00289719/step Wall: 13618.3, 0.00289719/step, 0.238052 hours remaining, 210.371094 MB of memory in use. ENERGY: 4704200 718.0879 2074.2290 1954.2966 107.4312 -206076.2560 17883.7258 0.0000 0.0000 34092.3964 -149246.0891 297.7374 -183338.4855 -149154.5875 298.8977 111.1579 140.2759 557425.7420 -4.4515 -4.4268 LDB: ============= START OF LOAD BALANCING ============== 13621.7 LDB: ============== END OF LOAD BALANCING =============== 13621.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13621.7 LDB: ============= START OF LOAD BALANCING ============== 13622 LDB: Largest compute 4773 load 0.027568 is 23.4% of average load 0.117929 LDB: Average compute 0.001738 is 1.5% of average load 0.117929 LDB: TIME 13622 LOAD: AVG 0.117929 MAX 0.180796 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.141 MB LDB: TIME 13622 LOAD: AVG 0.117929 MAX 0.180796 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.344 MB LDB: TIME 13622 LOAD: AVG 0.117929 MAX 0.180796 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.344 MB LDB: ============== END OF LOAD BALANCING =============== 13622 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13622 PRESSURE: 4704400 51.5674 66.4743 62.2693 66.4758 -24.7545 -46.3593 62.2693 -46.3594 -57.7633 GPRESSURE: 4704400 59.8967 96.5771 136.56 0.756013 -1.59969 -133.9 -5.18066 -45.7409 3.3053 PRESSAVG: 4704400 14.541 -34.1382 11.1704 -34.1382 0.617512 -36.7977 11.1703 -36.7977 -11.8088 GPRESSAVG: 4704400 14.4533 -34.3182 13.2342 -33.4002 0.777019 -39.2457 9.56411 -35.0553 -11.789 TIMING: 4704400 CPU: 13618.9, 0.00296911/step Wall: 13618.9, 0.00296911/step, 0.243797 hours remaining, 210.371094 MB of memory in use. ENERGY: 4704400 716.5687 2076.3541 1949.3575 113.7200 -206229.5864 17620.1338 0.0000 0.0000 34443.5529 -149309.8994 300.8041 -183753.4523 -149211.6371 299.6263 -10.3168 20.5341 557440.0578 1.1166 1.1471 PRESSURE: 4704600 235.106 -149.823 205.955 -149.823 -211.777 -287.824 205.955 -287.823 205.107 GPRESSURE: 4704600 255.335 -131.106 156.965 -8.72622 -159.57 -371.363 273.288 -279.242 219.372 PRESSAVG: 4704600 59.4815 10.9377 -40.3537 10.9377 -108.595 -79.225 -40.3536 -79.2248 12.0622 GPRESSAVG: 4704600 59.1431 10.842 -41.3126 12.1813 -107.755 -80.0781 -39.6717 -78.382 11.3224 TIMING: 4704600 CPU: 13619.5, 0.00291688/step Wall: 13619.5, 0.00291688/step, 0.239346 hours remaining, 210.371094 MB of memory in use. ENERGY: 4704600 763.0951 2049.1505 1928.6138 106.8370 -206373.2508 17844.3387 0.0000 0.0000 34219.2937 -149461.9220 298.8456 -183681.2157 -149364.4716 299.1121 76.1451 105.0459 556163.9163 -12.3505 -12.4299 PRESSURE: 4704800 82.5508 238.135 -57.9041 238.134 105.661 -49.1839 -57.906 -49.1838 -228.089 GPRESSURE: 4704800 144.869 208.651 -41.7171 231.635 105.536 -51.4271 -79.8524 -95.0364 -198.579 PRESSAVG: 4704800 26.9046 20.3438 -3.752 20.3438 -39.8793 -23.2731 -3.75201 -23.2732 26.0555 GPRESSAVG: 4704800 27.8548 19.4181 -1.63701 18.2387 -40.3237 -21.1429 -4.97406 -23.5353 26.2696 TIMING: 4704800 CPU: 13620.1, 0.00290424/step Wall: 13620.1, 0.00290424/step, 0.238147 hours remaining, 210.371094 MB of memory in use. ENERGY: 4704800 753.8124 2105.8004 1926.9589 110.3846 -206246.6010 17884.3673 0.0000 0.0000 34046.6216 -149418.6558 297.3376 -183465.2774 -149321.9409 298.8575 -13.2924 17.2750 558210.3926 4.3603 4.6002 PRESSURE: 4705000 -6.23575 102.417 -144.938 102.418 199.038 14.0687 -144.938 14.0705 74.951 GPRESSURE: 4705000 57.3883 42.3875 -88.9269 156.75 231.846 -7.78613 -120.046 -0.864993 68.261 PRESSAVG: 4705000 64.0381 30.4326 -76.1445 30.4326 -17.5323 -40.1564 -76.1444 -40.1564 -43.3866 GPRESSAVG: 4705000 63.6122 32.446 -72.8537 31.8761 -17.5097 -41.0426 -75.8658 -42.2821 -42.4636 TIMING: 4705000 CPU: 13620.6, 0.00287533/step Wall: 13620.6, 0.00287533/step, 0.235617 hours remaining, 210.371094 MB of memory in use. ENERGY: 4705000 748.2831 2098.6695 1945.6378 107.6791 -206489.4192 17972.0926 0.0000 0.0000 34164.0419 -149453.0152 298.3631 -183617.0571 -149360.1079 298.4955 89.2511 119.1652 556757.4034 1.0397 1.2130 PRESSURE: 4705200 -125.211 -73.5418 19.2677 -73.5414 -28.65 -46.0152 19.2679 -46.0154 84.1569 GPRESSURE: 4705200 -126.518 46.7947 64.3566 -163.352 5.82647 -2.08068 -80.9651 -56.7865 162.369 PRESSAVG: 4705200 22.3349 26.476 -11.574 26.476 -15.0694 -28.2309 -11.574 -28.2308 27.3449 GPRESSAVG: 4705200 22.3643 26.4278 -14.8272 26.8641 -15.4136 -29.3233 -11.7696 -26.4894 27.4147 TIMING: 4705200 CPU: 13621.2, 0.0029172/step Wall: 13621.2, 0.0029172/step, 0.238886 hours remaining, 210.371094 MB of memory in use. ENERGY: 4705200 775.5552 2064.1155 1945.6841 108.0686 -206162.9903 17796.7218 0.0000 0.0000 33927.1411 -149545.7040 296.2942 -183472.8451 -149445.5848 299.0858 -23.2346 13.8924 556581.1048 11.5368 11.4551 PRESSURE: 4705400 -48.4282 -23.4131 71.0713 -23.4141 -125.333 -103.062 71.0724 -103.062 198.166 GPRESSURE: 4705400 -38.3768 -1.81012 93.7509 -101.797 -53.5686 -33.331 70.24 -18.267 204.015 PRESSAVG: 4705400 19.3077 8.04111 -46.8427 8.04109 -13.7193 -39.5902 -46.8426 -39.5903 19.0209 GPRESSAVG: 4705400 18.5918 6.37743 -47.2781 7.14557 -13.5557 -39.2365 -45.734 -37.4655 19.9732 TIMING: 4705400 CPU: 13621.8, 0.00292758/step Wall: 13621.8, 0.00292758/step, 0.239573 hours remaining, 210.371094 MB of memory in use. ENERGY: 4705400 760.8821 2030.0917 1940.7217 110.3170 -206686.6950 17982.3408 0.0000 0.0000 34205.4203 -149656.9214 298.7244 -183862.3417 -149564.7703 298.0498 8.1351 37.3565 556224.7805 8.2031 8.3364 PRESSURE: 4705600 -41.3381 -44.7417 122.286 -44.7433 15.2739 -92.9345 122.285 -92.9337 211.737 GPRESSURE: 4705600 6.50671 25.6955 89.6615 -102.763 51.2738 -61.3887 90.1614 -21.3146 220.891 PRESSAVG: 4705600 47.2529 -26.2218 45.3405 -26.2219 -38.2296 -36.9246 45.3405 -36.9247 -11.8248 GPRESSAVG: 4705600 46.8883 -24.9032 46.7351 -24.7617 -37.2325 -38.1453 43.4662 -37.0416 -12.47 TIMING: 4705600 CPU: 13622.4, 0.00292226/step Wall: 13622.4, 0.00292226/step, 0.238976 hours remaining, 210.371094 MB of memory in use. ENERGY: 4705600 760.2343 2027.9936 1932.7600 106.1415 -206199.7041 17723.1675 0.0000 0.0000 34177.7531 -149471.6541 298.4828 -183649.4072 -149372.5395 298.0355 61.8908 92.8905 556022.1679 -0.9338 -0.9381 PRESSURE: 4705800 -421.471 -101.153 -157.62 -101.154 -474.779 -107.91 -157.619 -107.909 -156.15 GPRESSURE: 4705800 -321.978 -126.866 -63.0606 -51.3371 -442.388 -187.632 -170 -35.5865 -202.115 PRESSAVG: 4705800 -11.8766 -0.176809 -2.55631 -0.176704 3.36351 -72.6658 -2.5563 -72.6657 25.934 GPRESSAVG: 4705800 -10.11 -2.16203 -3.07967 0.467653 2.06169 -71.3142 -0.334439 -74.5022 25.3804 TIMING: 4705800 CPU: 13623, 0.00290891/step Wall: 13623, 0.00290891/step, 0.237723 hours remaining, 210.371094 MB of memory in use. ENERGY: 4705800 777.0690 2107.4161 1940.1018 115.9300 -205500.6721 17190.2703 0.0000 0.0000 33983.5205 -149386.3645 296.7865 -183369.8849 -149285.3582 298.4279 -350.8000 -322.1601 557163.6802 5.8069 5.7774 PRESSURE: 4706000 142.055 -94.3705 -72.6817 -94.3711 -141.203 27.5277 -72.6814 27.5279 -136.429 GPRESSURE: 4706000 193.002 -109.449 -55.5048 -79.6913 -75.5014 -35.5844 -53.4773 52.1741 -158.002 PRESSAVG: 4706000 -40.8845 5.38875 -0.416929 5.38871 9.47392 -44.8676 -0.416942 -44.8675 39.4599 GPRESSAVG: 4706000 -43.0196 5.4312 -0.40931 4.0665 11.503 -44.3971 -1.64193 -46.2351 40.2162 TIMING: 4706000 CPU: 13623.5, 0.00290248/step Wall: 13623.5, 0.00290248/step, 0.237036 hours remaining, 210.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4706000 806.0720 2048.1117 1946.5762 113.9009 -206268.7196 17829.7231 0.0000 0.0000 34199.7281 -149324.6076 298.6747 -183524.3357 -149230.6715 298.9589 -45.1924 -13.5006 556779.9583 2.6831 2.8999 PRESSURE: 4706200 -25.8859 81.4021 -63.4615 81.4017 -118.614 6.18335 -63.4617 6.18371 268.734 GPRESSURE: 4706200 6.98906 70.4711 -93.4821 61.771 -69.3551 79.3117 17.9562 21.2347 288.648 PRESSAVG: 4706200 18.0228 -12.8812 -11.9975 -12.8813 -54.4635 -14.9759 -11.9975 -14.9759 22.7077 GPRESSAVG: 4706200 19.8659 -12.4434 -12.2034 -11.1737 -54.8213 -16.7873 -11.8925 -13.8654 21.2535 TIMING: 4706200 CPU: 13624.1, 0.00293632/step Wall: 13624.1, 0.00293632/step, 0.239637 hours remaining, 210.371094 MB of memory in use. ENERGY: 4706200 756.0595 2079.7984 1928.9747 111.4868 -206447.3556 17800.0409 0.0000 0.0000 34336.1597 -149434.8357 299.8662 -183770.9954 -149341.7278 298.6846 41.4116 75.4272 556054.9775 -4.5777 -4.5673 PRESSURE: 4706400 262.122 -33.8209 -25.3961 -33.8229 17.363 -28.5634 -25.3966 -28.5637 -0.00985823 GPRESSURE: 4706400 281.283 -147.392 -0.540622 25.5195 8.62242 -111.394 -32.9283 -69.8875 84.4003 PRESSAVG: 4706400 19.8996 -21.733 -8.43618 -21.733 -70.1893 59.3774 -8.43623 59.3776 60.7732 GPRESSAVG: 4706400 19.837 -20.9754 -10.3251 -23.0917 -71.7851 61.0849 -5.86256 60.2193 61.8675 TIMING: 4706400 CPU: 13624.7, 0.00290466/step Wall: 13624.7, 0.00290466/step, 0.236891 hours remaining, 210.371094 MB of memory in use. ENERGY: 4706400 719.5337 2076.4188 1944.9420 111.1746 -206329.1973 17889.5410 0.0000 0.0000 34120.9856 -149466.6016 297.9871 -183587.5872 -149373.2399 298.8146 93.1585 124.7685 556103.7620 3.4945 3.3065 PRESSURE: 4706600 20.6004 -122.517 -54.1565 -122.517 29.7707 -107.166 -54.1562 -107.166 13.8403 GPRESSURE: 4706600 48.8312 -126.253 -101.768 -122.401 76.6385 -51.0924 19.9339 -151.842 31.9302 PRESSAVG: 4706600 18.7284 -2.00104 -17.539 -2.00111 -40.8281 21.2484 -17.5389 21.2484 -16.421 GPRESSAVG: 4706600 18.1254 -2.5241 -17.8778 -1.53402 -39.7166 22.0091 -18.3817 20.5354 -17.2816 TIMING: 4706600 CPU: 13625.3, 0.00291281/step Wall: 13625.3, 0.00291281/step, 0.237394 hours remaining, 210.371094 MB of memory in use. ENERGY: 4706600 735.6126 2092.4625 1950.9060 103.8587 -206513.2784 17810.0974 0.0000 0.0000 34403.6969 -149416.6443 300.4560 -183820.3411 -149319.0688 298.7232 21.4038 52.4667 556379.8231 -12.8402 -12.9576 PRESSURE: 4706800 -122.058 -45.3174 191.394 -45.3194 15.8081 -19.4395 191.394 -19.4394 -222.645 GPRESSURE: 4706800 -100.035 10.9792 194.46 -64.4393 43.5309 41.945 128.754 -13.7067 -171.81 PRESSAVG: 4706800 -33.4142 -4.4104 -31.3076 -4.41041 65.1846 16.9857 -31.3077 16.9857 -49.5355 GPRESSAVG: 4706800 -31.9695 -4.37389 -27.9848 -4.73371 64.3702 17.4202 -33.9 17.1143 -49.4083 TIMING: 4706800 CPU: 13625.9, 0.00292095/step Wall: 13625.9, 0.00292095/step, 0.237895 hours remaining, 210.371094 MB of memory in use. ENERGY: 4706800 778.3323 2041.8719 1960.4799 123.2276 -205992.6257 17776.3640 0.0000 0.0000 34175.6274 -149136.7225 298.4643 -183312.3500 -149043.3057 299.2374 -109.6315 -76.1048 558238.1852 -5.9217 -5.6692 PRESSURE: 4707000 75.0013 154.827 -93.498 154.828 137.551 -42.9413 -93.4982 -42.9413 168.001 GPRESSURE: 4707000 141.931 215.159 -129.956 154.464 174.786 -33.9489 -35.2738 -21.5807 163.543 PRESSAVG: 4707000 -9.95933 0.766749 -19.6359 0.766699 7.59991 39.8681 -19.6358 39.8682 -3.84122 GPRESSAVG: 4707000 -11.5006 1.61167 -20.8321 0.21245 9.31665 39.5392 -18.1908 41.1159 -3.31847 TIMING: 4707000 CPU: 13626.5, 0.00292534/step Wall: 13626.5, 0.00292534/step, 0.23809 hours remaining, 210.371094 MB of memory in use. ENERGY: 4707000 769.3416 2108.7761 1919.7114 111.6448 -206391.8768 17990.8684 0.0000 0.0000 34513.0886 -148978.4460 301.4114 -183491.5346 -148881.3956 300.7331 126.8510 160.0869 556298.4978 -2.0669 -1.8341 PRESSURE: 4707200 -247.091 53.6779 -50.5069 53.68 -240.038 -25.856 -50.5067 -25.8554 -50.8431 GPRESSURE: 4707200 -244.973 8.69324 80.9856 62.4428 -230.205 -124.184 -91.9214 -45.3527 35.9374 PRESSAVG: 4707200 -27.4893 -30.6634 -28.5212 -30.6633 54.7813 -28.1681 -28.5212 -28.1682 -34.2964 GPRESSAVG: 4707200 -25.1745 -31.8668 -28.5784 -32.6353 52.9881 -29.5626 -27.4868 -29.3888 -34.6956 TIMING: 4707200 CPU: 13627, 0.00292454/step Wall: 13627, 0.00292454/step, 0.237862 hours remaining, 210.371094 MB of memory in use. ENERGY: 4707200 755.8171 2070.7945 1954.6709 104.1438 -206031.9036 17524.3254 0.0000 0.0000 34562.7882 -149059.3636 301.8454 -183622.1518 -148965.2394 300.6581 -179.3241 -146.4137 556709.1953 -2.3348 -2.2940 PRESSURE: 4707400 -305.275 100.983 7.76321 100.982 -63.6915 48.5881 7.76324 48.5884 -253.032 GPRESSURE: 4707400 -236.932 -3.84196 -35.8284 183.866 -57.3688 52.6094 61.5443 -3.26043 -232.317 PRESSAVG: 4707400 -33.7585 7.03659 -25.1299 7.03653 -7.67907 10.2026 -25.13 10.2027 57.8393 GPRESSAVG: 4707400 -34.2487 7.00145 -23.8081 9.54944 -6.96985 11.407 -24.4486 8.97946 57.6521 TIMING: 4707400 CPU: 13627.6, 0.00292225/step Wall: 13627.6, 0.00292225/step, 0.237514 hours remaining, 210.371094 MB of memory in use. ENERGY: 4707400 749.1990 2133.6689 1976.0926 114.8047 -205847.1903 17653.4376 0.0000 0.0000 34242.4722 -148977.5153 299.0480 -183219.9875 -148883.7238 300.5156 -207.3329 -175.5393 558717.6990 5.4672 5.4778 PRESSURE: 4707600 -46.783 5.94223 -94.0664 5.94307 9.11856 -69.694 -94.0684 -69.6951 -39.448 GPRESSURE: 4707600 -31.6892 14.7263 -99.5599 -30.0865 59.6127 -63.5629 -79.6983 -44.3943 0.737986 PRESSAVG: 4707600 -20.2891 -11.0779 -54.3554 -11.0778 49.5067 19.4095 -54.3553 19.4094 -31.0309 GPRESSAVG: 4707600 -20.4403 -12.3469 -55.868 -11.1219 49.6345 16.8499 -54.9436 21.3714 -30.4526 TIMING: 4707600 CPU: 13628.2, 0.00292628/step Wall: 13628.2, 0.00292628/step, 0.237679 hours remaining, 210.371094 MB of memory in use. ENERGY: 4707600 742.4232 2108.5126 1948.4656 111.7270 -206076.4617 17676.1394 0.0000 0.0000 34545.7265 -148943.4674 301.6964 -183489.1940 -148850.3204 300.3237 -25.7041 9.5538 556666.3242 -0.6045 -0.4195 PRESSURE: 4707800 27.9837 -50.4762 48.6794 -50.476 -213.847 50.4691 48.6793 50.4691 -241.233 GPRESSURE: 4707800 73.3967 -101.649 -7.55674 -49.7728 -192.074 53.9241 68.84 61.3882 -193.491 PRESSAVG: 4707800 66.8366 11.8916 -81.0491 11.8917 -57.5688 3.53572 -81.049 3.53564 -20.4567 GPRESSAVG: 4707800 65.7121 12.6685 -81.5531 11.5493 -56.6513 3.79281 -80.8384 4.51028 -20.2387 TIMING: 4707800 CPU: 13628.8, 0.00291483/step Wall: 13628.8, 0.00291483/step, 0.236587 hours remaining, 210.371094 MB of memory in use. ENERGY: 4707800 739.6492 2045.9293 1964.0448 106.0723 -206022.9300 17570.2863 0.0000 0.0000 34325.4510 -149271.4971 299.7727 -183596.9481 -149165.2997 299.8336 -142.3654 -104.0559 557829.5926 -3.7296 -3.7260 PRESSURE: 4708000 -12.2432 -46.3003 -194.345 -46.2991 -127.38 -39.1519 -194.346 -39.152 150.376 GPRESSURE: 4708000 63.6403 60.1307 -231.076 -121.689 -96.9659 -39.3565 -257.032 -76.8186 139.724 PRESSAVG: 4708000 -7.17788 47.0908 -40.8687 47.0907 -28.3422 15.97 -40.8688 15.9701 40.3159 GPRESSAVG: 4708000 -5.7111 47.5228 -39.7451 47.0241 -29.1021 17.8989 -42.7781 15.7487 39.6165 TIMING: 4708000 CPU: 13629.4, 0.00290394/step Wall: 13629.4, 0.00290394/step, 0.235542 hours remaining, 210.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4708000 759.3043 2120.8902 1949.2294 123.9810 -206361.8248 17941.9233 0.0000 0.0000 34198.5483 -149267.9483 298.6644 -183466.4965 -149175.7630 298.7986 3.5845 35.4662 556530.2888 1.5986 1.6011 PRESSURE: 4708200 143.955 -23.7678 -14.485 -23.7689 84.9432 -112.942 -14.4855 -112.942 81.4337 GPRESSURE: 4708200 127.527 -92.7206 -3.12184 17.138 194.66 -123.643 -14.9336 -101.052 72.8539 PRESSAVG: 4708200 -53.7461 -60.1015 -51.2199 -60.1015 -4.35376 -15.0309 -51.2199 -15.0309 52.2034 GPRESSAVG: 4708200 -53.74 -61.4666 -52.3365 -59.5466 -5.27712 -15.6639 -48.946 -16.7831 53.0914 TIMING: 4708200 CPU: 13630, 0.00292281/step Wall: 13630, 0.00292281/step, 0.23691 hours remaining, 210.371094 MB of memory in use. ENERGY: 4708200 768.1877 2086.3970 1959.7657 98.4872 -206358.2697 17944.9557 0.0000 0.0000 34308.3416 -149192.1347 299.6233 -183500.4763 -149095.6167 300.0313 103.4440 131.6802 556351.7785 -1.9655 -1.9753 LDB: ============= START OF LOAD BALANCING ============== 13633.4 LDB: ============== END OF LOAD BALANCING =============== 13633.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13633.4 LDB: ============= START OF LOAD BALANCING ============== 13633.6 LDB: Largest compute 4800 load 0.027403 is 23.2% of average load 0.118025 LDB: Average compute 0.001730 is 1.5% of average load 0.118025 LDB: TIME 13633.6 LOAD: AVG 0.118025 MAX 0.179891 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.141 MB LDB: TIME 13633.6 LOAD: AVG 0.118025 MAX 0.179891 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.141 MB LDB: TIME 13633.6 LOAD: AVG 0.118025 MAX 0.179891 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13633.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13633.7 PRESSURE: 4708400 -46.2508 158.269 -4.24807 158.268 40.0999 -93.3537 -4.24662 -93.3541 104.936 GPRESSURE: 4708400 -37.3301 24.0649 -86.3946 236.631 62.2499 -79.8307 119.86 -52.5272 160.123 PRESSAVG: 4708400 -20.2344 -18.7075 -33.8673 -18.7075 5.12292 -21.4084 -33.8674 -21.4084 29.5068 GPRESSAVG: 4708400 -20.8038 -16.7406 -32.5332 -20.8298 6.60119 -19.9924 -33.788 -19.8994 28.6354 TIMING: 4708400 CPU: 13630.6, 0.00295847/step Wall: 13630.6, 0.00295847/step, 0.239636 hours remaining, 212.480469 MB of memory in use. ENERGY: 4708400 734.7563 2083.3580 1944.3569 110.1359 -206063.7043 17662.1603 0.0000 0.0000 34087.4429 -149441.4940 297.6941 -183528.9370 -149346.8718 298.7898 32.9283 61.6811 555384.1557 4.7984 4.8109 PRESSURE: 4708600 -327.609 -20.3826 -173.125 -20.3819 -159.547 66.1241 -173.126 66.1238 -359.647 GPRESSURE: 4708600 -273.188 -41.8972 -123.701 60.6546 -124.634 161.708 -195.562 51.7754 -344.766 PRESSAVG: 4708600 42.8442 -0.308977 -7.15113 -0.308936 -23.0507 36.4741 -7.15118 36.4741 -13.9958 GPRESSAVG: 4708600 43.924 -2.35457 -7.76459 0.592239 -24.6891 35.671 -8.66185 35.9404 -13.3716 TIMING: 4708600 CPU: 13631.1, 0.0029083/step Wall: 13631.1, 0.0029083/step, 0.235411 hours remaining, 212.550781 MB of memory in use. ENERGY: 4708600 771.1939 2012.7417 1930.5409 120.8577 -205899.8688 17436.3698 0.0000 0.0000 34197.2320 -149430.9328 298.6529 -183628.1649 -149330.4115 299.2007 -282.2677 -247.5295 557003.3575 1.9326 1.9544 PRESSURE: 4708800 -208.7 33.9966 -54.8433 33.997 56.4274 93.4348 -54.8435 93.4343 -32.2749 GPRESSURE: 4708800 -179.271 92.543 14.2547 7.60617 70.7908 19.4067 -142.793 48.9245 28.3413 PRESSAVG: 4708800 54.4313 20.258 -23.3196 20.2581 -3.82333 18.8625 -23.3196 18.8625 -50.5057 GPRESSAVG: 4708800 55.1729 21.4658 -20.2361 21.6161 -4.02142 16.3701 -23.5068 20.6445 -50.5207 TIMING: 4708800 CPU: 13631.7, 0.00291254/step Wall: 13631.7, 0.00291254/step, 0.235592 hours remaining, 212.550781 MB of memory in use. ENERGY: 4708800 750.1191 2096.4358 1967.6967 122.0347 -205778.9236 17569.0313 0.0000 0.0000 33837.4514 -149436.1545 295.5109 -183273.6059 -149346.2835 298.3491 -61.5158 -26.7129 558236.5681 0.0341 0.2103 PRESSURE: 4709000 -200.711 74.0277 -2.01829 74.0281 -97.7591 38.6825 -2.0186 38.683 -113.119 GPRESSURE: 4709000 -153.329 91.5538 1.80525 81.7281 -70.3168 5.35301 -73.6089 14.1361 -83.4293 PRESSAVG: 4709000 -0.90488 17.8513 -27.0788 17.8514 14.5246 -4.09358 -27.0787 -4.09349 -51.0188 GPRESSAVG: 4709000 -2.21767 16.7013 -29.4813 16.4839 17.2039 -0.522721 -27.6847 -5.26606 -51.7943 TIMING: 4709000 CPU: 13632.3, 0.00290061/step Wall: 13632.3, 0.00290061/step, 0.234466 hours remaining, 212.550781 MB of memory in use. ENERGY: 4709000 827.7588 2054.9237 1944.4306 113.2125 -206484.5243 17846.2781 0.0000 0.0000 34265.6713 -149432.2493 299.2506 -183697.9206 -149335.8118 298.4225 -137.1964 -102.3582 557825.3484 -12.4664 -12.2693 PRESSURE: 4709200 18.8094 121.586 -32.7535 121.585 -208.323 202.646 -32.7536 202.646 -440.303 GPRESSURE: 4709200 23.0086 122.65 -62.8612 33.7452 -168.928 139.389 23.5457 275.54 -379.724 PRESSAVG: 4709200 -9.57924 0.637094 -27.0625 0.63703 -15.7427 5.26477 -27.0625 5.26481 35.8512 GPRESSAVG: 4709200 -9.1869 2.00341 -27.8799 -0.595802 -15.6135 5.84851 -24.419 2.624 35.4847 TIMING: 4709200 CPU: 13632.9, 0.00287704/step Wall: 13632.9, 0.00287704/step, 0.232401 hours remaining, 212.550781 MB of memory in use. ENERGY: 4709200 744.1158 2044.9417 1944.1478 109.4712 -205995.7213 17469.4610 0.0000 0.0000 34457.9911 -149225.5927 300.9302 -183683.5838 -149133.2397 299.8530 -209.9388 -175.2147 557878.6779 3.5098 3.5614 PRESSURE: 4709400 268.302 -60.0238 42.1297 -60.0233 64.1141 -165.018 42.1297 -165.017 121.165 GPRESSURE: 4709400 298.303 -69.5702 -10.3006 -35.9301 63.8504 -138.621 46.2678 -163.253 196.05 PRESSAVG: 4709400 -1.67752 -3.55643 -28.2401 -3.55654 16.2229 -2.66852 -28.2401 -2.66844 -48.8784 GPRESSAVG: 4709400 -2.47375 -2.54441 -28.284 -3.79918 15.1934 -5.40679 -30.7284 0.339626 -47.1636 TIMING: 4709400 CPU: 13633.5, 0.00289164/step Wall: 13633.5, 0.00289164/step, 0.23342 hours remaining, 212.550781 MB of memory in use. ENERGY: 4709400 706.2965 2063.8179 1943.2240 117.4991 -206393.7241 18009.4569 0.0000 0.0000 34397.7861 -149155.6436 300.4044 -183553.4297 -149063.7943 300.3072 151.1937 186.0679 557344.2006 -11.4443 -11.4813 PRESSURE: 4709600 -183.195 149.258 -44.3779 149.258 211.982 68.0593 -44.3791 68.0585 142.581 GPRESSURE: 4709600 -121.492 188.047 -27.7839 107.72 219.083 113.981 -29.1357 85.0776 177.784 PRESSAVG: 4709600 24.3394 -12.26 10.186 -12.26 0.343324 -18.7633 10.186 -18.7633 -4.82604 GPRESSAVG: 4709600 25.2063 -13.1588 9.71784 -10.2141 -0.469523 -16.295 10.4049 -19.949 -5.00281 TIMING: 4709600 CPU: 13634, 0.00288436/step Wall: 13634, 0.00288436/step, 0.232672 hours remaining, 212.550781 MB of memory in use. ENERGY: 4709600 775.8447 2044.9891 1975.5455 118.4105 -206275.3321 18065.1826 0.0000 0.0000 34310.3810 -148984.9786 299.6411 -183295.3597 -148893.6767 300.8037 57.1227 91.7914 559691.6817 6.6189 6.5780 PRESSURE: 4709800 97.4162 29.7492 145.843 29.7482 -16.6312 -2.57641 145.844 -2.57652 214.079 GPRESSURE: 4709800 143.246 7.70181 98.3269 -103.405 -10.8647 -32.5513 88.122 -92.1021 249.567 PRESSAVG: 4709800 -15.0158 31.3074 16.2185 31.3074 -10.0135 -12.0057 16.2185 -12.0057 51.3806 GPRESSAVG: 4709800 -15.2622 31.9302 16.4538 29.0993 -9.51386 -13.7836 17.4733 -10.4664 51.0862 TIMING: 4709800 CPU: 13634.6, 0.00289477/step Wall: 13634.6, 0.00289477/step, 0.23335 hours remaining, 212.550781 MB of memory in use. ENERGY: 4709800 699.6170 2129.2969 1986.1544 110.4693 -206496.8507 18037.4195 0.0000 0.0000 34271.7251 -149262.1685 299.3035 -183533.8936 -149164.1994 300.6849 98.2879 127.3159 558062.1396 8.7838 8.7700 PRESSURE: 4710000 -69.0843 127.5 258.012 127.5 -172.033 -34.8767 258.011 -34.8745 -135.042 GPRESSURE: 4710000 -90.3818 26.5117 178.693 144.352 -138.974 -79.3752 316.448 53.7964 -42.9683 PRESSAVG: 4710000 44.8889 36.735 -9.76265 36.7349 -22.8027 -14.5251 -9.76263 -14.5251 9.40849 GPRESSAVG: 4710000 44.5319 35.0237 -8.20766 40.4518 -22.2234 -14.111 -12.8408 -14.4324 9.12442 TIMING: 4710000 CPU: 13635.2, 0.00289633/step Wall: 13635.2, 0.00289633/step, 0.233315 hours remaining, 212.550781 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: 4710000 757.0143 2036.2440 1948.8354 111.5856 -206115.2286 17884.3750 0.0000 0.0000 34234.0380 -149143.1363 298.9744 -183377.1742 -149045.6137 299.4398 -125.3863 -90.7749 559449.2156 10.4982 10.4776 PRESSURE: 4710200 139.537 22.5 -13.3636 22.4998 -17.6018 -5.33638 -13.3615 -5.33702 9.75766 GPRESSURE: 4710200 173.988 57.5503 9.17745 -11.8949 5.17533 -69.7638 -3.97998 48.1197 38.5461 PRESSAVG: 4710200 58.8062 -32.8777 6.03055 -32.8778 6.6138 -13.2971 6.03058 -13.297 6.41145 GPRESSAVG: 4710200 59.1764 -32.1779 4.76123 -34.1535 5.67048 -13.8017 8.27965 -13.9161 6.77545 TIMING: 4710200 CPU: 13635.8, 0.00289842/step Wall: 13635.8, 0.00289842/step, 0.233323 hours remaining, 212.550781 MB of memory in use. ENERGY: 4710200 746.4224 2140.1931 1945.5120 110.1815 -206200.0298 17739.5595 0.0000 0.0000 34269.9615 -149248.1997 299.2881 -183518.1612 -149151.2690 299.5873 43.8977 72.5698 557862.0458 23.9438 23.8741 PRESSURE: 4710400 -121.727 -69.8427 2.64634 -69.8432 -108.279 -178.998 2.64652 -178.999 -26.6602 GPRESSURE: 4710400 -96.0383 -84.7108 -53.3183 -29.9852 -94.4238 -93.5535 65.9078 -194.724 26.3567 PRESSAVG: 4710400 -3.73617 -32.2468 16.8006 -32.2468 -17.792 -13.2796 16.8005 -13.2796 16.1159 GPRESSAVG: 4710400 -2.94625 -31.2133 17.5084 -34.6052 -18.6873 -12.3568 16.8258 -13.2661 16.2835 TIMING: 4710400 CPU: 13636.3, 0.00287888/step Wall: 13636.3, 0.00287888/step, 0.23159 hours remaining, 212.550781 MB of memory in use. ENERGY: 4710400 723.1215 2079.0485 1980.6041 111.7207 -206284.9778 17784.4699 0.0000 0.0000 34344.0771 -149261.9360 299.9354 -183606.0131 -149166.9548 299.3566 -85.5555 -54.7018 558542.0409 -1.8041 -1.7833 PRESSURE: 4710600 -202.732 -18.0619 -59.4942 -18.0626 -132.912 -2.95997 -59.4947 -2.96006 -86.4803 GPRESSURE: 4710600 -147.723 -74.7475 -55.0986 50.9471 -75.2518 28.0107 -100.252 4.47743 -101.36 PRESSAVG: 4710600 8.49034 15.6608 38.603 15.6608 -30.691 -18.2886 38.6029 -18.2886 45.6296 GPRESSAVG: 4710600 8.51099 14.7348 39.365 17.8313 -30.2183 -15.6617 37.3536 -19.6772 45.4156 TIMING: 4710600 CPU: 13636.9, 0.00288999/step Wall: 13636.9, 0.00288999/step, 0.232323 hours remaining, 212.550781 MB of memory in use. ENERGY: 4710600 714.1145 2110.9417 1966.0450 110.2858 -205997.2262 17634.9682 0.0000 0.0000 34117.3538 -149343.5171 297.9553 -183460.8709 -149249.3748 299.2723 -140.7081 -108.1117 557327.7149 7.8096 7.9028 PRESSURE: 4710800 -45.345 -0.017856 70.5724 -0.0186613 -89.6887 64.0393 70.5729 64.041 -230.225 GPRESSURE: 4710800 -57.5959 27.4572 -12.3134 -32.4161 -48.7125 74.3522 111.922 20.4551 -163.197 PRESSAVG: 4710800 -48.4616 7.28021 11.1648 7.28018 78.4345 40.5744 11.1647 40.5745 -8.26739 GPRESSAVG: 4710800 -48.9224 4.4767 10.2745 7.88565 78.7187 38.9999 13.1664 40.2522 -8.56926 TIMING: 4710800 CPU: 13637.5, 0.00289145/step Wall: 13637.5, 0.00289145/step, 0.23228 hours remaining, 212.550781 MB of memory in use. ENERGY: 4710800 735.1802 2047.2288 1921.8508 110.0697 -206295.3205 17692.3422 0.0000 0.0000 34163.1972 -149625.4516 298.3557 -183788.6488 -149524.6207 298.4261 -121.7529 -89.8352 557264.6375 7.2352 7.0757 PRESSURE: 4711000 -7.16379 -54.8303 17.2145 -54.8289 205.477 -99.1419 17.2144 -99.1414 99.2304 GPRESSURE: 4711000 34.1169 -23.9325 40.8775 -77.1969 254.623 -147.512 8.05435 -68.6082 109.921 PRESSAVG: 4711000 -39.4019 -39.7612 0.60723 -39.7613 68.676 41.655 0.607134 41.6551 -0.000544594 GPRESSAVG: 4711000 -39.7814 -39.2889 0.911187 -40.5946 67.9566 43.2063 -0.300154 41.5095 0.843591 TIMING: 4711000 CPU: 13638.1, 0.00290438/step Wall: 13638.1, 0.00290438/step, 0.233158 hours remaining, 212.550781 MB of memory in use. ENERGY: 4711000 756.6951 2051.7412 1970.7434 100.1132 -206759.8688 18055.7166 0.0000 0.0000 34023.9256 -149800.9337 297.1394 -183824.8593 -149707.1880 298.1472 99.1813 132.8870 557568.1940 9.7578 9.6729 PRESSURE: 4711200 -150.757 -92.6792 -116.274 -92.6781 -232.292 7.46559 -116.274 7.46519 -38.4614 GPRESSURE: 4711200 -133.018 -37.1447 -101.536 -129.45 -189.624 -47.9806 -27.2743 49.6142 -1.09627 PRESSAVG: 4711200 4.84934 -62.0061 -59.0111 -62.006 1.24314 -29.5986 -59.0111 -29.5987 -8.73091 GPRESSAVG: 4711200 3.34811 -59.8366 -59.259 -61.8502 2.84612 -31.0116 -58.7067 -30.9703 -9.59133 TIMING: 4711200 CPU: 13638.7, 0.00288174/step Wall: 13638.7, 0.00288174/step, 0.231179 hours remaining, 212.550781 MB of memory in use. ENERGY: 4711200 774.8960 2129.7704 1958.5871 98.3784 -206738.5810 17841.0889 0.0000 0.0000 34110.8737 -149824.9865 297.8987 -183935.8601 -149731.9362 297.9119 -140.5036 -107.9129 556341.1930 -0.8795 -1.1324 PRESSURE: 4711400 -30.2809 -123.069 46.9749 -123.069 -72.0933 -28.1464 46.9754 -28.1479 -35.873 GPRESSURE: 4711400 32.0692 -86.8019 15.913 -27.2627 -25.7497 -0.921788 54.865 6.05563 -53.6383 PRESSAVG: 4711400 13.3757 -61.609 25.3359 -61.6091 34.7572 -22.9752 25.336 -22.9751 -78.3824 GPRESSAVG: 4711400 13.1472 -60.6027 26.2074 -62.0527 33.7465 -22.1166 24.8958 -21.0897 -77.5194 TIMING: 4711400 CPU: 13639.2, 0.00288486/step Wall: 13639.2, 0.00288486/step, 0.231269 hours remaining, 212.550781 MB of memory in use. ENERGY: 4711400 763.3485 2086.6714 1945.6298 111.3246 -206819.3933 18113.2158 0.0000 0.0000 33952.0757 -149847.1274 296.5119 -183799.2031 -149748.4477 296.6543 -46.0824 -15.7729 556450.1237 -10.0831 -10.2086 PRESSURE: 4711600 40.0184 -73.6208 136.565 -73.6192 -197.534 -146.911 136.566 -146.913 -49.4394 GPRESSURE: 4711600 45.3519 -95.38 142.906 -18.8737 -89.4038 -117.354 139.452 -43.9953 -65.04 PRESSAVG: 4711600 15.0162 -46.689 54.4624 -46.689 4.08177 -2.71512 54.4624 -2.7151 21.8876 GPRESSAVG: 4711600 16.0114 -47.9564 54.1825 -45.2591 3.46136 -2.69286 54.0486 -1.75985 22.0665 TIMING: 4711600 CPU: 13639.8, 0.00287955/step Wall: 13639.8, 0.00287955/step, 0.230684 hours remaining, 212.550781 MB of memory in use. ENERGY: 4711600 741.2673 2046.6267 1970.7748 114.5823 -206670.4853 17767.6354 0.0000 0.0000 34182.2049 -149847.3939 298.5217 -184029.5989 -149757.6897 297.8180 -68.9850 -36.3640 555210.3029 13.6618 13.8464 PRESSURE: 4711800 -144.786 -34.1843 24.6903 -34.1844 43.4329 24.492 24.6916 24.4934 238.946 GPRESSURE: 4711800 -48.6765 -77.6899 -61.4639 -31.6829 35.7289 57.5889 39.6927 -4.92267 245.838 PRESSAVG: 4711800 -79.288 -5.22278 -12.0671 -5.22274 4.27514 6.40137 -12.067 6.40123 94.0876 GPRESSAVG: 4711800 -79.7415 -3.9489 -12.4062 -7.51073 4.51704 6.18194 -11.4666 5.2245 94.0014 TIMING: 4711800 CPU: 13640.4, 0.00289333/step Wall: 13640.4, 0.00289333/step, 0.231627 hours remaining, 212.550781 MB of memory in use. ENERGY: 4711800 721.1106 2094.8531 1972.3128 114.5911 -206452.9945 17693.2099 0.0000 0.0000 34192.1163 -149664.8007 298.6083 -183856.9170 -149569.6685 298.1349 45.8641 77.6301 555150.9977 6.3582 6.2590 PRESSURE: 4712000 230.733 -87.7291 -23.9775 -87.7292 33.3904 152.412 -23.9781 152.41 37.3241 GPRESSURE: 4712000 258.394 -97.7532 -10.399 -68.195 120.65 62.5116 -42.2481 151.797 17.1733 PRESSAVG: 4712000 30.4168 27.3406 2.50714 27.3407 -36.9883 -21.1348 2.50714 -21.1351 -0.959978 GPRESSAVG: 4712000 30.9238 24.5906 2.22198 30.3 -37.2393 -21.0404 2.96183 -20.081 -1.01236 TIMING: 4712000 CPU: 13641, 0.00287946/step Wall: 13641, 0.00287946/step, 0.230357 hours remaining, 212.550781 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: 4712000 723.4674 2019.0165 1961.9652 115.1118 -206485.2547 17901.1778 0.0000 0.0000 34250.6954 -149513.8207 299.1198 -183764.5160 -149416.7093 298.5377 100.4825 132.0724 555176.1164 -2.5105 -2.4426 PRESSURE: 4712200 198.355 -211.541 -65.2522 -211.543 54.6002 -66.8787 -65.2525 -66.8792 4.15349 GPRESSURE: 4712200 163.385 -267.824 -90.6261 -195.131 96.4909 -110.277 -88.5559 -1.83742 105.311 PRESSAVG: 4712200 50.2678 -16.7446 -16.0484 -16.7446 42.3353 -39.5657 -16.0484 -39.5657 -26.2475 GPRESSAVG: 4712200 50.0875 -14.9225 -15.8241 -18.2192 42.1579 -38.7186 -16.8983 -40.9804 -25.9053 TIMING: 4712200 CPU: 13641.5, 0.00289188/step Wall: 13641.5, 0.00289188/step, 0.231189 hours remaining, 212.550781 MB of memory in use. ENERGY: 4712200 774.8484 2099.1193 1931.9592 115.6634 -206373.5160 17928.6121 0.0000 0.0000 34087.9229 -149435.3907 297.6983 -183523.3136 -149343.7161 298.6893 85.7028 121.7290 555358.2963 22.1186 22.1134 LDB: ============= START OF LOAD BALANCING ============== 13644.9 LDB: ============== END OF LOAD BALANCING =============== 13644.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13644.9 LDB: ============= START OF LOAD BALANCING ============== 13645.2 LDB: Largest compute 4773 load 0.027880 is 23.6% of average load 0.117980 LDB: Average compute 0.001730 is 1.5% of average load 0.117980 LDB: TIME 13645.2 LOAD: AVG 0.11798 MAX 0.182464 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.297 MB LDB: TIME 13645.2 LOAD: AVG 0.11798 MAX 0.182464 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.297 MB LDB: TIME 13645.2 LOAD: AVG 0.11798 MAX 0.182464 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.297 MB LDB: ============== END OF LOAD BALANCING =============== 13645.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13645.2 PRESSURE: 4712400 -9.59695 -4.58988 6.08682 -4.59121 -149.182 3.02838 6.08706 3.02706 -219.273 GPRESSURE: 4712400 10.39 -15.9343 15.0113 -61.251 -87.786 -43.0612 5.12366 46.5982 -213.329 PRESSAVG: 4712400 50.5121 3.94791 -50.1939 3.94795 -48.487 -17.9212 -50.1939 -17.9212 -15.0801 GPRESSAVG: 4712400 49.383 3.55893 -50.8606 4.35416 -48.9963 -18.2736 -48.5756 -16.6406 -13.7749 TIMING: 4712400 CPU: 13642.1, 0.00297096/step Wall: 13642.1, 0.00297096/step, 0.237347 hours remaining, 210.957031 MB of memory in use. ENERGY: 4712400 745.1905 2117.9913 1946.8064 116.4181 -206018.2999 17543.9691 0.0000 0.0000 34138.9776 -149408.9468 298.1442 -183547.9244 -149308.8746 298.6732 -126.0171 -96.9083 557240.3521 -4.3517 -4.4627 PRESSURE: 4712600 -17.4073 -11.3897 8.0272 -11.3885 -51.3248 -136.206 8.02734 -136.207 188.603 GPRESSURE: 4712600 -23.6985 -90.0253 59.1338 29.9731 29.4022 -96.5861 -26.8538 -170.658 204.571 PRESSAVG: 4712600 5.29741 -10.3162 38.0008 -10.3162 41.7488 -32.0536 38.0007 -32.0535 -13.841 GPRESSAVG: 4712600 5.50164 -10.721 38.4134 -10.6099 42.0824 -33.0578 37.8404 -31.2302 -14.2051 TIMING: 4712600 CPU: 13642.7, 0.00289668/step Wall: 13642.7, 0.00289668/step, 0.231251 hours remaining, 210.957031 MB of memory in use. ENERGY: 4712600 752.9706 2080.2281 1923.6785 117.4905 -206650.3140 17999.1767 0.0000 0.0000 34262.2096 -149514.5600 299.2204 -183776.7696 -149414.8283 299.1527 39.9570 70.0914 556287.0540 11.0684 11.1263 PRESSURE: 4712800 -99.2801 123.828 -15.8768 123.829 -98.262 158.666 -15.8762 158.666 -251.514 GPRESSURE: 4712800 -48.5585 130.196 29.7708 50.9741 -28.2108 73.1955 -34.3001 142.902 -265.484 PRESSAVG: 4712800 1.84565 0.838855 -34.0207 0.83889 -26.8114 -0.0264443 -34.0207 -0.026429 24.3438 GPRESSAVG: 4712800 1.44439 1.42535 -32.402 1.54431 -25.7567 -0.363996 -35.3105 -2.81677 23.8591 TIMING: 4712800 CPU: 13643.3, 0.00290546/step Wall: 13643.3, 0.00290546/step, 0.231791 hours remaining, 210.957031 MB of memory in use. ENERGY: 4712800 736.6563 2067.7364 1945.7317 110.9535 -206129.8361 17692.9462 0.0000 0.0000 33984.0839 -149591.7280 296.7915 -183575.8119 -149497.2670 298.7128 -149.6853 -114.0844 557629.7389 -0.2073 -0.1511 PRESSURE: 4713000 -170.272 230.584 24.9398 230.586 39.7791 105.239 24.9389 105.237 141.715 GPRESSURE: 4713000 -144.377 180.138 73.3621 209.176 30.1124 129.802 15.996 84.4581 224.414 PRESSAVG: 4713000 25.7959 46.4301 -65.7307 46.4301 35.1072 6.49737 -65.7307 6.49735 -28.3305 GPRESSAVG: 4713000 25.9021 45.7906 -68.1353 44.1812 35.2454 4.35965 -64.2221 8.49143 -28.7353 TIMING: 4713000 CPU: 13643.9, 0.00290466/step Wall: 13643.9, 0.00290466/step, 0.231566 hours remaining, 210.957031 MB of memory in use. ENERGY: 4713000 745.2300 2118.6813 1914.9754 117.8346 -206476.4032 17896.4263 0.0000 0.0000 34363.7795 -149319.4760 300.1074 -183683.2555 -149220.8662 299.0367 3.7408 36.7165 557363.7931 10.8575 10.8041 PRESSURE: 4713200 330.948 149.79 133.735 149.79 94.5923 32.8017 133.736 32.8016 -119.2 GPRESSURE: 4713200 322.215 142.882 151.619 136.678 183.979 23.9097 104.974 29.7734 -107.849 PRESSAVG: 4713200 40.8697 6.56489 31.2572 6.56479 21.5024 2.86699 31.2572 2.86706 -13.8701 GPRESSAVG: 4713200 41.5968 8.94949 32.9676 8.32012 22.1256 2.66211 31.7345 4.09786 -15.0842 TIMING: 4713200 CPU: 13644.5, 0.00291176/step Wall: 13644.5, 0.00291176/step, 0.23197 hours remaining, 210.957031 MB of memory in use. ENERGY: 4713200 708.5782 2053.1050 1931.5958 118.9468 -206506.2598 18091.2276 0.0000 0.0000 34146.0240 -149456.7824 298.2057 -183602.8065 -149362.2544 299.0309 102.1133 132.7818 557125.9128 16.1673 16.2127 PRESSURE: 4713400 24.6288 -4.68032 22.8886 -4.67998 58.2682 186.07 22.8879 186.07 -44.5276 GPRESSURE: 4713400 93.949 -16.5407 -2.93548 -34.1637 65.1705 96.3637 -56.3532 191.459 -20.1996 PRESSAVG: 4713400 34.5916 24.1439 16.1338 24.1439 -24.4762 -25.3476 16.1338 -25.3476 -7.42025 GPRESSAVG: 4713400 33.1066 22.229 16.1209 23.2488 -24.4263 -22.5435 15.0523 -26.3516 -5.42486 TIMING: 4713400 CPU: 13645, 0.00289011/step Wall: 13645, 0.00289011/step, 0.230085 hours remaining, 210.957031 MB of memory in use. ENERGY: 4713400 734.4948 2077.3328 1946.0457 115.7697 -206401.5119 17928.3816 0.0000 0.0000 34077.7691 -149521.7183 297.6096 -183599.4874 -149422.9595 298.6969 12.7898 46.3066 557059.2007 0.8984 1.0851 PRESSURE: 4713600 -183.024 54.3947 7.23537 54.3938 -254.524 -32.8051 7.23545 -32.8051 -172.507 GPRESSURE: 4713600 -145.692 -2.66306 -13.7316 193.944 -179.014 -159.069 86.9945 109.35 -176.899 PRESSAVG: 4713600 0.321474 -40.9215 8.04284 -40.9216 -36.8378 24.706 8.04275 24.7059 59.1663 GPRESSAVG: 4713600 2.18474 -41.175 7.0389 -41.3164 -36.699 22.4613 8.86403 25.7974 57.2843 TIMING: 4713600 CPU: 13645.6, 0.00287209/step Wall: 13645.6, 0.00287209/step, 0.228491 hours remaining, 210.957031 MB of memory in use. ENERGY: 4713600 741.9623 2094.0669 1954.2240 122.4732 -206525.6681 17657.3142 0.0000 0.0000 34226.2885 -149729.3390 298.9067 -183955.6275 -149640.0631 298.7559 -203.3516 -167.2015 557586.5604 7.5500 7.5900 PRESSURE: 4713800 -245.054 -34.128 -67.0366 -34.1278 -240.326 35.8615 -67.0368 35.86 -406.343 GPRESSURE: 4713800 -245.907 -53.5157 -65.3346 18.5935 -119.858 41.6946 -51.6994 -2.52986 -425.14 PRESSAVG: 4713800 -41.3096 40.8117 -29.3476 40.8117 -19.0567 25.8715 -29.3477 25.8715 25.6865 GPRESSAVG: 4713800 -41.242 40.8727 -28.7421 41.6968 -19.2196 25.9677 -29.7345 25.5964 25.9509 TIMING: 4713800 CPU: 13646.2, 0.00287689/step Wall: 13646.2, 0.00287689/step, 0.228712 hours remaining, 210.957031 MB of memory in use. ENERGY: 4713800 757.6248 2106.0487 1964.8251 114.3726 -206011.2898 17455.2444 0.0000 0.0000 33937.0185 -149676.1557 296.3804 -183613.1742 -149580.6673 298.0584 -297.2413 -263.6350 557968.5253 -11.5599 -11.5035 PRESSURE: 4714000 -66.8865 -116.171 13.2843 -116.169 -86.3762 -31.7242 13.2849 -31.7219 -228.088 GPRESSURE: 4714000 -22.0099 -162.779 79.9851 -139.379 -105.304 -8.25392 18.2761 -10.6398 -162.75 PRESSAVG: 4714000 40.6249 -33.301 -12.8879 -33.301 6.50917 -55.4743 -12.8879 -55.4742 -14.771 GPRESSAVG: 4714000 40.8993 -33.3946 -12.9987 -33.5973 4.97506 -54.2404 -12.9394 -54.7457 -13.4481 TIMING: 4714000 CPU: 13646.8, 0.00291788/step Wall: 13646.8, 0.00291788/step, 0.231809 hours remaining, 210.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4714000 749.0189 2100.5122 1937.8436 117.8550 -206118.2595 17515.5450 0.0000 0.0000 34283.4259 -149414.0589 299.4057 -183697.4848 -149315.6752 299.0497 -127.1169 -96.6882 556813.2079 10.7877 10.8087 PRESSURE: 4714200 -128.546 -120.304 -26.1165 -120.303 -81.0071 35.1386 -26.1172 35.1405 -2.17317 GPRESSURE: 4714200 -107.678 -165.373 -12.3862 -75.966 -95.7974 84.0094 -9.8476 50.4693 95.9237 PRESSAVG: 4714200 7.48374 14.6962 -30.1434 14.6962 55.1404 14.7705 -30.1435 14.7705 -26.8535 GPRESSAVG: 4714200 6.50166 15.662 -30.9016 14.8625 55.6384 14.4066 -30.7 12.8003 -26.6633 TIMING: 4714200 CPU: 13647.4, 0.00291366/step Wall: 13647.4, 0.00291366/step, 0.231313 hours remaining, 210.957031 MB of memory in use. ENERGY: 4714200 721.1666 2104.6924 1945.6298 115.9805 -206160.8664 17585.6180 0.0000 0.0000 34129.6654 -149558.1138 298.0629 -183687.7792 -149459.9244 298.1731 -70.5754 -35.8504 557124.1059 11.9236 11.8256 PRESSURE: 4714400 -142.968 38.6827 26.1446 38.6829 59.8383 -83.789 26.1441 -83.7889 -23.7725 GPRESSURE: 4714400 -52.5604 69.8018 54.8544 69.3525 83.6002 -88.4291 36.2892 -76.0226 -26.9959 PRESSAVG: 4714400 40.4223 -39.9175 -47.2104 -39.9173 41.3822 51.6501 -47.2102 51.65 -44.6824 GPRESSAVG: 4714400 41.4971 -40.0303 -47.5584 -40.3781 40.764 52.254 -45.6784 51.9277 -45.494 TIMING: 4714400 CPU: 13647.9, 0.00289854/step Wall: 13647.9, 0.00289854/step, 0.229951 hours remaining, 210.957031 MB of memory in use. ENERGY: 4714400 757.2467 2061.6972 1940.7770 105.8009 -206396.5360 17894.9785 0.0000 0.0000 34306.8251 -149329.2107 299.6100 -183636.0357 -149231.0057 299.1470 -35.6342 1.3480 557006.0187 12.3741 12.2557 PRESSURE: 4714600 -63.7049 37.6326 -23.4467 37.6334 49.8355 107.919 -23.4467 107.921 60.3713 GPRESSURE: 4714600 -15.2499 -9.71133 -37.0514 84.9305 94.7293 104.101 43.4772 73.4985 71.3014 PRESSAVG: 4714600 23.8302 13.0675 -29.8034 13.0674 54.7801 33.63 -29.8034 33.6299 -43.1233 GPRESSAVG: 4714600 22.4709 13.0815 -28.0425 13.3462 55.255 31.7359 -30.5956 33.8004 -42.9703 TIMING: 4714600 CPU: 13648.5, 0.00288264/step Wall: 13648.5, 0.00288265/step, 0.22853 hours remaining, 210.957031 MB of memory in use. ENERGY: 4714600 755.3626 2098.2819 1962.8435 106.3811 -206514.8084 17919.2940 0.0000 0.0000 34384.2636 -149288.3818 300.2863 -183672.6454 -149188.5226 299.8326 15.5006 50.2603 556027.0313 11.8290 11.5852 PRESSURE: 4714800 88.1751 -75.3549 -201.24 -75.3558 132.358 -77.6632 -201.239 -77.6613 -239.697 GPRESSURE: 4714800 137.247 -74.6919 -130.27 -11.9277 184.732 -82.2663 -271.826 -5.70341 -251.934 PRESSAVG: 4714800 43.3369 3.43541 8.48262 3.43531 32.1723 11.1558 8.48247 11.1558 -40.9529 GPRESSAVG: 4714800 43.161 1.874 7.1991 5.76892 32.0515 13.973 8.93915 10.192 -41.2123 TIMING: 4714800 CPU: 13649.1, 0.00290139/step Wall: 13649.1, 0.00290139/step, 0.229854 hours remaining, 210.957031 MB of memory in use. ENERGY: 4714800 721.3667 2034.6535 1982.7212 120.4083 -206108.8122 17679.5470 0.0000 0.0000 34276.7995 -149293.3159 299.3478 -183570.1154 -149191.2248 299.7040 -6.3880 23.3484 556332.9868 11.5188 11.3334 PRESSURE: 4715000 52.7111 5.40536 -130.319 5.40608 -70.3195 190.359 -130.32 190.359 -232.623 GPRESSURE: 4715000 58.0085 -66.4907 -89.178 74.5313 -12.1432 180.828 -142.182 178.754 -203.34 PRESSAVG: 4715000 -47.3107 32.8595 -22.2817 32.8596 48.1502 -1.12493 -22.2818 -1.12505 -33.6231 GPRESSAVG: 4715000 -47.0677 34.2493 -21.096 31.498 47.8774 -1.65896 -21.7026 0.459865 -33.4258 TIMING: 4715000 CPU: 13649.7, 0.0028897/step Wall: 13649.7, 0.0028897/step, 0.228768 hours remaining, 210.957031 MB of memory in use. ENERGY: 4715000 756.1513 2057.9133 1947.0144 120.3707 -206008.2651 17642.6727 0.0000 0.0000 34200.9768 -149283.1659 298.6856 -183484.1427 -149196.5825 299.4329 -83.4106 -52.4915 557221.3211 -10.9279 -10.8720 PRESSURE: 4715200 12.9036 -66.7474 30.99 -66.7479 79.3013 208.454 30.9903 208.452 183.598 GPRESSURE: 4715200 26.3442 -29.4855 69.2765 -36.1629 69.9903 224.585 35.2061 188.653 281.786 PRESSAVG: 4715200 -66.1666 -45.1423 -27.7748 -45.1423 18.9132 4.46249 -27.7748 4.46252 70.8722 GPRESSAVG: 4715200 -65.2265 -44.4937 -27.3691 -46.5406 19.0081 6.5891 -31.1122 2.80928 70.4904 TIMING: 4715200 CPU: 13650.2, 0.00288247/step Wall: 13650.2, 0.00288247/step, 0.228036 hours remaining, 210.957031 MB of memory in use. ENERGY: 4715200 704.0193 2080.1258 1946.2650 108.2827 -206354.3496 17918.8556 0.0000 0.0000 34034.3563 -149562.4449 297.2305 -183596.8012 -149453.3031 298.6178 91.9343 126.0403 556266.5506 7.8729 8.0907 PRESSURE: 4715400 -375.374 164.405 -92.2184 164.405 47.4065 203.239 -92.2188 203.239 -492.692 GPRESSURE: 4715400 -307.393 131.995 -91.8342 180.141 56.4135 209.288 -151.195 228.914 -477.521 PRESSAVG: 4715400 -1.12632 -22.3158 5.54259 -22.3159 29.176 45.228 5.54254 45.228 -12.1818 GPRESSAVG: 4715400 -0.216554 -23.5163 3.26816 -22.8283 29.0348 42.1693 7.67768 48.4738 -12.2307 TIMING: 4715400 CPU: 13650.8, 0.00286831/step Wall: 13650.8, 0.00286831/step, 0.226756 hours remaining, 210.957031 MB of memory in use. ENERGY: 4715400 736.4540 2070.9834 1947.1258 101.2362 -206203.6074 17481.6439 0.0000 0.0000 34317.5188 -149548.6453 299.7034 -183866.1641 -149452.6878 298.2026 -273.5531 -242.8335 557052.4104 5.2893 5.5292 PRESSURE: 4715600 -395.894 30.6608 -47.3054 30.6595 -38.2741 72.7947 -47.3051 72.7948 -413.36 GPRESSURE: 4715600 -343.078 47.6708 -120.448 15.0326 -32.7332 -24.6165 -81.4193 44.3226 -387.536 PRESSAVG: 4715600 -67.8425 38.4785 -8.56686 38.4785 94.1787 -2.82874 -8.56686 -2.82875 -17.5552 GPRESSAVG: 4715600 -68.7324 38.0855 -8.26868 39.1895 94.0066 -2.72096 -9.75654 -4.65488 -16.7782 TIMING: 4715600 CPU: 13651.4, 0.00289834/step Wall: 13651.4, 0.00289834/step, 0.228969 hours remaining, 210.957031 MB of memory in use. ENERGY: 4715600 738.7611 2062.2089 1956.7601 105.6376 -206217.4113 17491.7306 0.0000 0.0000 34241.9571 -149620.3559 299.0435 -183862.3130 -149515.3498 298.8515 -282.5093 -254.4491 557061.4739 2.9270 2.8320 PRESSURE: 4715800 45.7265 94.7981 -26.8861 94.798 2.60984 36.0995 -26.8858 36.0977 48.4273 GPRESSURE: 4715800 68.6519 31.8958 -73.641 52.6474 44.7349 100.386 -11.4425 -5.69228 78.6948 PRESSAVG: 4715800 -10.0931 16.0874 20.4848 16.0874 53.3548 -24.2266 20.4848 -24.2266 -28.9704 GPRESSAVG: 4715800 -9.75663 17.2996 20.1507 15.1244 53.5203 -23.2995 19.6192 -24.8166 -29.5255 TIMING: 4715800 CPU: 13652, 0.00290493/step Wall: 13652, 0.00290493/step, 0.229328 hours remaining, 210.957031 MB of memory in use. ENERGY: 4715800 755.7593 2064.0480 1933.4722 122.3242 -206771.0986 17922.5312 0.0000 0.0000 34406.3786 -149566.5850 300.4795 -183972.9636 -149473.4883 298.7193 32.2545 64.0272 555636.0805 4.7638 4.7461 PRESSURE: 4716000 120.33 -143.96 -91.8767 -143.961 -6.67333 2.99189 -91.8758 2.99196 -178.42 GPRESSURE: 4716000 179.793 -184.949 3.3941 -8.46244 22.5369 39.0199 -128.923 -86.4107 -174.912 PRESSAVG: 4716000 44.8999 -14.0065 -19.9905 -14.0064 -75.4259 -6.35129 -19.9905 -6.35133 24.1084 GPRESSAVG: 4716000 45.8039 -14.2249 -19.7684 -13.7415 -75.8789 -5.71299 -17.2079 -7.14999 23.5033 TIMING: 4716000 CPU: 13652.6, 0.00291471/step Wall: 13652.6, 0.00291471/step, 0.229939 hours remaining, 210.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4716000 731.5018 2068.2280 1955.2021 118.7968 -206555.4901 17903.2766 0.0000 0.0000 34148.3547 -149630.1301 298.2261 -183778.4848 -149524.3702 298.4193 -21.5879 9.1391 556869.6595 -2.1392 -2.1906 PRESSURE: 4716200 -218.131 68.2584 35.1751 68.2583 -356.089 -60.4121 35.1751 -60.4134 -306.711 GPRESSURE: 4716200 -201.963 68.787 61.8338 72.035 -340.49 -119.377 -25.3645 3.19312 -262.005 PRESSAVG: 4716200 19.6306 5.49055 -20.8596 5.49052 -59.9496 -11.7372 -20.8597 -11.7371 44.2839 GPRESSAVG: 4716200 20.5658 4.36153 -20.8055 5.23139 -59.853 -13.5288 -23.5266 -11.8551 43.6822 TIMING: 4716200 CPU: 13653.1, 0.0029013/step Wall: 13653.1, 0.0029013/step, 0.228719 hours remaining, 210.957031 MB of memory in use. ENERGY: 4716200 784.7035 2129.9890 1925.5197 100.1131 -206193.3171 17539.2445 0.0000 0.0000 34208.4540 -149505.2933 298.7509 -183713.7473 -149410.1040 298.7452 -293.6437 -268.1530 558067.0421 1.3216 1.4650 LDB: ============= START OF LOAD BALANCING ============== 13656.5 LDB: ============== END OF LOAD BALANCING =============== 13656.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13656.5 LDB: ============= START OF LOAD BALANCING ============== 13656.8 LDB: Largest compute 4773 load 0.029513 is 25.0% of average load 0.118025 LDB: Average compute 0.001740 is 1.5% of average load 0.118025 LDB: TIME 13656.8 LOAD: AVG 0.118025 MAX 0.180847 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.18 MB LDB: TIME 13656.8 LOAD: AVG 0.118025 MAX 0.180847 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.383 MB LDB: TIME 13656.8 LOAD: AVG 0.118025 MAX 0.180847 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.383 MB LDB: ============== END OF LOAD BALANCING =============== 13656.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13656.8 PRESSURE: 4716400 133.243 94.443 -137.867 94.4423 89.8663 163.989 -137.868 163.989 189.063 GPRESSURE: 4716400 125.592 101.456 -49.491 66.8433 127.498 158.931 -124.975 101.815 259.166 PRESSAVG: 4716400 4.98387 4.82404 -51.7909 4.82404 -71.4727 16.7894 -51.7909 16.7895 20.9143 GPRESSAVG: 4716400 3.75698 3.49044 -52.0145 6.41671 -71.3141 17.8486 -49.1361 17.4135 22.1313 TIMING: 4716400 CPU: 13653.7, 0.00296159/step Wall: 13653.7, 0.00296159/step, 0.233308 hours remaining, 210.957031 MB of memory in use. ENERGY: 4716400 734.6581 2141.5224 1948.6308 120.4476 -206764.5770 17956.4058 0.0000 0.0000 34365.5778 -149497.3345 300.1231 -183862.9123 -149402.8100 298.4595 137.3907 170.7523 554982.6081 -15.1915 -15.1419 PRESSURE: 4716600 181.814 -43.4097 49.5338 -43.4097 92.9539 -113.752 49.5339 -113.755 -123.891 GPRESSURE: 4716600 234.655 -76.1719 46.0991 114.112 81.3423 -64.3997 -40.4876 -140.9 -61.0388 PRESSAVG: 4716600 -18.1231 -1.15562 15.7683 -1.1557 -10.1513 -4.42139 15.7684 -4.42143 77.1741 GPRESSAVG: 4716600 -17.8151 -0.300214 16.862 -0.65306 -10.4897 -4.60867 13.5253 -3.52236 77.0535 TIMING: 4716600 CPU: 13654.3, 0.00289808/step Wall: 13654.3, 0.00289808/step, 0.228144 hours remaining, 210.957031 MB of memory in use. ENERGY: 4716600 803.3254 2051.2152 1942.5941 116.9011 -206694.4857 17977.3115 0.0000 0.0000 34174.6744 -149628.4639 298.4559 -183803.1383 -149540.7613 298.6843 50.2926 84.9862 555666.2738 16.2999 16.2495 PRESSURE: 4716800 47.6878 -55.2052 -159.577 -55.205 -34.2862 7.03764 -159.577 7.03696 131.134 GPRESSURE: 4716800 68.7931 -32.0863 -66.5344 -55.6664 47.1677 -10.7838 -183.322 2.98052 135.986 PRESSAVG: 4716800 25.1484 -15.9355 60.5967 -15.9353 -18.2743 -11.7476 60.5967 -11.7475 25.2683 GPRESSAVG: 4716800 24.6636 -16.2656 59.9684 -17.6207 -17.2062 -12.0572 61.2758 -10.4962 25.0415 TIMING: 4716800 CPU: 13654.9, 0.00290092/step Wall: 13654.9, 0.00290092/step, 0.228206 hours remaining, 210.957031 MB of memory in use. ENERGY: 4716800 714.7869 2097.0841 1947.0748 117.0013 -206634.7798 17851.3568 0.0000 0.0000 34264.9856 -149642.4904 299.2446 -183907.4760 -149536.1305 298.3136 48.1786 83.9824 556778.2165 10.7142 10.8330 PRESSURE: 4717000 -167.671 -21.6979 87.5624 -21.6986 45.4596 -62.3031 87.563 -62.3031 -93.8689 GPRESSURE: 4717000 -112.151 -10.193 31.9873 -37.6898 102.023 -95.4761 73.0013 -41.4944 -116.639 PRESSAVG: 4717000 -61.7378 -26.5969 17.8207 -26.5969 7.08786 21.2314 17.8208 21.2314 67.6258 GPRESSAVG: 4717000 -61.8382 -26.3633 17.2993 -24.651 6.11154 20.1375 18.39 20.2188 69.1229 TIMING: 4717000 CPU: 13655.5, 0.00292454/step Wall: 13655.5, 0.00292454/step, 0.229902 hours remaining, 210.957031 MB of memory in use. ENERGY: 4717000 764.2144 2061.8976 1952.3832 121.3692 -206526.9029 17864.3940 0.0000 0.0000 34100.0869 -149662.5576 297.8045 -183762.6445 -149568.2107 297.9673 -72.0269 -42.2557 557152.8204 4.3253 4.4654 PRESSURE: 4717200 -3.21667 -10.3667 16.9033 -10.367 -6.41031 -88.6962 16.9042 -88.6957 235.973 GPRESSURE: 4717200 28.3991 66.8581 72.518 -110.261 -25.9777 -173.168 -63.1345 -151.378 311.037 PRESSAVG: 4717200 -105.698 -54.6477 9.30992 -54.6476 41.6992 12.9208 9.30991 12.9209 82.5059 GPRESSAVG: 4717200 -105.743 -52.5764 10.2249 -57.4764 41.0115 14.0138 9.76856 11.6309 82.3288 TIMING: 4717200 CPU: 13656.1, 0.00291505/step Wall: 13656.1, 0.00291505/step, 0.228993 hours remaining, 210.957031 MB of memory in use. ENERGY: 4717200 774.1714 2123.8566 1948.7667 117.5577 -206683.2070 18015.4907 0.0000 0.0000 34145.1697 -149558.1942 298.1983 -183703.3639 -149465.4990 297.6114 75.4488 104.4862 556699.0905 6.1690 5.8656 PRESSURE: 4717400 -140.7 -58.9708 -223.323 -58.9711 -67.6525 -63.4879 -223.323 -63.4865 30.748 GPRESSURE: 4717400 -110.341 32.8625 -143.744 -152.942 -65.241 -47.3146 -259.708 -123.16 104.922 PRESSAVG: 4717400 -0.601199 -17.3904 20.6537 -17.3903 -1.77484 -4.40967 20.6537 -4.4097 15.053 GPRESSAVG: 4717400 -0.313569 -16.9557 22.5782 -17.7365 -0.504097 -3.55045 17.8616 -2.23149 13.8725 TIMING: 4717400 CPU: 13656.6, 0.00290381/step Wall: 13656.6, 0.00290381/step, 0.227949 hours remaining, 210.957031 MB of memory in use. ENERGY: 4717400 704.1270 2078.6819 1960.8719 113.6161 -206329.9965 17744.6281 0.0000 0.0000 34115.5490 -149612.5225 297.9396 -183728.0715 -149518.3974 297.8103 -59.2016 -23.5533 556646.8869 4.2257 4.3516 PRESSURE: 4717600 -24.0532 -75.8336 97.0145 -75.8342 -84.7774 73.238 97.0137 73.2372 114.647 GPRESSURE: 4717600 -1.6809 -129.583 140.097 -73.1861 -18.1335 78.7032 111.858 34.3807 128.209 PRESSAVG: 4717600 48.3674 27.3782 -8.3347 27.3782 -43.2105 -9.34432 -8.33474 -9.34437 -21.6281 GPRESSAVG: 4717600 48.1904 24.9441 -11.3034 29.8889 -44.2022 -9.77877 -5.04848 -11.3824 -20.7574 TIMING: 4717600 CPU: 13657.2, 0.00295142/step Wall: 13657.2, 0.00295142/step, 0.231523 hours remaining, 210.957031 MB of memory in use. ENERGY: 4717600 715.0333 2016.8873 1952.1977 117.0836 -206132.0921 17782.1744 0.0000 0.0000 34020.6395 -149528.0763 297.1107 -183548.7158 -149436.1428 298.0618 1.9388 36.1316 557261.6269 -5.4904 -5.5897 PRESSURE: 4717800 60.395 -82.759 -87.3072 -82.7592 138.223 -98.4441 -87.3075 -98.4434 -209.976 GPRESSURE: 4717800 64.5694 -10.0254 -80.098 -49.6684 172.753 -115.043 -65.6743 -50.1005 -162.161 PRESSAVG: 4717800 5.38353 -61.3013 -20.1815 -61.3014 -17.482 36.2241 -20.1815 36.2242 52.7996 GPRESSAVG: 4717800 4.89142 -60.5101 -18.0711 -61.5236 -16.7443 38.0078 -21.0701 37.1631 52.7604 TIMING: 4717800 CPU: 13657.8, 0.00292851/step Wall: 13657.8, 0.00292851/step, 0.229563 hours remaining, 210.957031 MB of memory in use. ENERGY: 4717800 720.2905 2036.5335 1939.6333 113.4947 -206672.6521 17986.8203 0.0000 0.0000 34257.0082 -149618.8715 299.1750 -183875.8797 -149524.0237 297.8493 -3.7858 25.0538 557331.7946 13.5670 13.6358 PRESSURE: 4718000 131.321 84.1597 48.2962 84.159 -481.245 109.85 48.2969 109.849 -41.4694 GPRESSURE: 4718000 157.311 121.51 -7.75363 33.2405 -373.803 122.982 63.9196 168.19 -63.4976 PRESSAVG: 4718000 -5.78762 -7.74171 30.4688 -7.74174 -35.4211 83.2028 30.4687 83.2027 22.8305 GPRESSAVG: 4718000 -4.828 -8.06462 28.836 -8.46564 -36.0418 80.5749 28.3876 83.9535 23.2453 TIMING: 4718000 CPU: 13658.4, 0.00292926/step Wall: 13658.4, 0.00292926/step, 0.229459 hours remaining, 210.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4718000 756.5366 2018.6118 1940.5547 113.4546 -206508.3885 17649.7051 0.0000 0.0000 34271.8518 -149757.6738 299.3046 -184029.5257 -149662.7532 297.9064 -130.4645 -93.3298 556309.8834 -6.1261 -5.8748 PRESSURE: 4718200 82.329 -33.7345 11.9925 -33.7358 -61.3222 63.1689 11.9923 63.1701 -41.2664 GPRESSURE: 4718200 155.536 2.95171 22.5202 -11.6907 -74.6937 75.2624 1.39701 4.72097 -1.13177 PRESSAVG: 4718200 62.1575 26.648 -35.5768 26.648 -57.421 43.5862 -35.5768 43.5861 -18.2206 GPRESSAVG: 4718200 62.7572 26.7725 -35.9845 26.0788 -56.598 42.7463 -33.2031 42.2217 -20.0774 TIMING: 4718200 CPU: 13659, 0.00293464/step Wall: 13659, 0.00293463/step, 0.229717 hours remaining, 210.957031 MB of memory in use. ENERGY: 4718200 743.6083 2048.9123 1940.7842 96.5124 -206200.9161 17721.4258 0.0000 0.0000 34053.0887 -149596.5844 297.3941 -183649.6730 -149511.9185 298.1912 -6.7532 26.5702 555691.3537 -4.4947 -4.6394 PRESSURE: 4718400 -77.4635 1.65134 -39.4535 1.65034 56.5389 -37.9548 -39.4545 -37.9542 62.8299 GPRESSURE: 4718400 -63.8225 -61.3967 54.0546 64.0987 119.891 -41.6119 -99.7096 -10.8298 83.2946 PRESSAVG: 4718400 7.53696 36.0056 -71.0429 36.0055 -22.6788 12.0881 -71.0428 12.0882 31.9525 GPRESSAVG: 4718400 6.45271 36.3082 -70.5047 34.6284 -22.6552 14.9495 -70.425 12.0627 33.1326 TIMING: 4718400 CPU: 13659.6, 0.00292734/step Wall: 13659.6, 0.00292734/step, 0.228983 hours remaining, 210.957031 MB of memory in use. ENERGY: 4718400 752.0849 2086.7202 1927.5581 105.0881 -206206.3115 17742.0446 0.0000 0.0000 34210.7960 -149382.0197 298.7714 -183592.8156 -149285.2105 298.6272 13.9685 46.4544 556555.3121 5.6036 5.6434 PRESSURE: 4718600 -113.891 -23.7531 165.268 -23.7548 -109.935 -84.6613 165.269 -84.6612 -146.75 GPRESSURE: 4718600 -113.054 34.3146 167.693 -25.6728 -76.857 -70.552 178.201 -75.1466 -82.2416 PRESSAVG: 4718600 -10.6312 12.6849 58.8676 12.685 -34.9268 -57.1432 58.8676 -57.1431 22.8076 GPRESSAVG: 4718600 -10.8464 13.7436 58.2558 13.9952 -35.2317 -58.6067 58.5629 -56.1434 22.6069 TIMING: 4718600 CPU: 13660.2, 0.00292205/step Wall: 13660.2, 0.00292205/step, 0.228407 hours remaining, 210.957031 MB of memory in use. ENERGY: 4718600 778.9069 2099.4770 1930.9549 109.0167 -206176.6259 17657.6516 0.0000 0.0000 34101.2941 -149499.3248 297.8151 -183600.6190 -149404.2050 298.9427 -123.5252 -90.7174 556031.6796 -7.5835 -7.8237 PRESSURE: 4718800 152.627 -193.992 47.2206 -193.991 -153.228 -135.782 47.2187 -135.782 -29.3266 GPRESSURE: 4718800 176.24 -147.046 -0.724216 -179.277 -120.665 -171.904 83.9888 -121.369 -1.95348 PRESSAVG: 4718800 -42.5913 17.4436 -14.9765 17.4436 35.7016 -49.5537 -14.9766 -49.5538 -12.14 GPRESSAVG: 4718800 -41.6643 16.0825 -12.7898 16.7466 35.645 -48.8407 -15.5949 -50.2092 -12.1273 TIMING: 4718800 CPU: 13660.7, 0.00290459/step Wall: 13660.7, 0.00290459/step, 0.226881 hours remaining, 210.957031 MB of memory in use. ENERGY: 4718800 743.8711 2093.1933 1947.0311 122.3762 -206311.5228 17725.4155 0.0000 0.0000 34257.7519 -149421.8836 299.1815 -183679.6355 -149321.7931 299.5438 -9.9759 17.8739 555614.5011 -6.3432 -6.0489 PRESSURE: 4719000 36.234 163.351 57.598 163.351 132.993 87.4102 57.5979 87.4097 -28.6999 GPRESSURE: 4719000 85.7505 106.738 37.049 156.524 214.447 94.921 -32.2857 29.8841 -66.0614 PRESSAVG: 4719000 27.4446 27.7063 -22.5693 27.7062 -4.45625 -60.3559 -22.5692 -60.3557 -15.1192 GPRESSAVG: 4719000 28.0999 29.3521 -22.5681 27.5202 -2.57906 -61.7291 -23.6321 -60.5408 -17.3602 TIMING: 4719000 CPU: 13661.3, 0.0029114/step Wall: 13661.3, 0.0029114/step, 0.227251 hours remaining, 210.957031 MB of memory in use. ENERGY: 4719000 735.0715 2090.6043 1927.3392 102.5727 -206655.9526 17940.0898 0.0000 0.0000 34421.6973 -149438.5778 300.6132 -183860.2751 -149336.2391 298.8613 46.8422 78.0453 555982.9786 2.6231 2.7202 PRESSURE: 4719200 113.951 -62.5522 18.5463 -62.5526 200.483 -13.9118 18.5468 -13.9108 0.284701 GPRESSURE: 4719200 181.23 -50.1457 41.8891 -32.4185 216.477 2.84598 94.5026 -142.113 3.23071 PRESSAVG: 4719200 14.1321 43.8148 0.175807 43.8147 -23.3412 3.34149 0.175873 3.34156 -4.40156 GPRESSAVG: 4719200 15.1335 43.574 -0.592325 42.7706 -26.1733 5.72965 0.982274 2.21627 -2.45832 TIMING: 4719200 CPU: 13661.9, 0.00290377/step Wall: 13661.9, 0.00290377/step, 0.226494 hours remaining, 210.957031 MB of memory in use. ENERGY: 4719200 718.9552 2090.2475 1936.5240 101.3813 -206617.5277 17953.7517 0.0000 0.0000 34411.8431 -149404.8249 300.5272 -183816.6680 -149312.8377 299.4933 104.9062 133.6460 556659.1387 -4.5369 -4.4994 PRESSURE: 4719400 202.496 -85.605 28.8892 -85.605 73.5805 121.921 28.8884 121.921 -11.3686 GPRESSURE: 4719400 271.034 -111.7 52.6373 -114.981 129.826 43.9927 25.4755 174.59 -40.4842 PRESSAVG: 4719400 81.6585 22.3521 14.0849 22.352 17.2187 75.7705 14.085 75.7704 -67.3126 GPRESSAVG: 4719400 80.1766 19.8378 14.1023 23.71 18.8558 72.5695 13.9659 77.6631 -67.1278 TIMING: 4719400 CPU: 13662.5, 0.00290638/step Wall: 13662.5, 0.00290638/step, 0.226536 hours remaining, 210.957031 MB of memory in use. ENERGY: 4719400 760.9390 2030.9696 1965.3013 104.8394 -206530.0249 17996.2329 0.0000 0.0000 34271.9952 -149399.7475 299.3059 -183671.7427 -149310.8180 299.0367 88.2361 120.1252 556934.9486 10.5215 10.6348 PRESSURE: 4719600 -243.662 4.86476 -91.0419 4.86485 89.3171 62.0154 -91.0423 62.0166 -106.646 GPRESSURE: 4719600 -147.094 74.5563 -20.5644 -75.1881 79.3403 106.518 -91.0748 -4.08455 -93.999 PRESSAVG: 4719600 25.7932 -1.15772 7.73732 -1.15766 -43.2317 -5.00555 7.73739 -5.00563 17.4512 GPRESSAVG: 4719600 25.1496 0.763267 7.20584 -1.96075 -42.3372 -3.94022 7.7506 -5.2427 17.81 TIMING: 4719600 CPU: 13663.1, 0.00288923/step Wall: 13663.1, 0.00288923/step, 0.225039 hours remaining, 210.957031 MB of memory in use. ENERGY: 4719600 752.8435 2089.0231 1951.7019 114.4395 -206040.9515 17595.5950 0.0000 0.0000 34325.3387 -149212.0098 299.7717 -183537.3485 -149113.9529 298.8292 -86.9971 -53.9176 556987.7033 0.0043 0.2075 PRESSURE: 4719800 -158.675 -59.8375 24.6664 -59.8373 75.318 173.792 24.6675 173.792 112.968 GPRESSURE: 4719800 -46.2965 9.50852 -49.1601 -95.6769 72.6221 123.391 39.8442 133.12 110.02 PRESSAVG: 4719800 -115.678 34.5788 -42.6193 34.5789 48.7699 16.9492 -42.6193 16.9492 7.87035 GPRESSAVG: 4719800 -114.985 35.5341 -42.4285 33.9492 47.9874 18.9211 -42.5966 16.8953 7.99778 TIMING: 4719800 CPU: 13663.6, 0.00289982/step Wall: 13663.6, 0.00289982/step, 0.225703 hours remaining, 210.957031 MB of memory in use. ENERGY: 4719800 727.9162 2054.2465 1936.5972 109.1314 -206331.4232 17844.1438 0.0000 0.0000 34308.4421 -149350.9460 299.6242 -183659.3881 -149252.2751 298.7682 9.8702 45.4485 558718.6226 -19.6791 -19.6666 PRESSURE: 4720000 -8.91391 17.7802 -23.0978 17.7809 192.948 107.228 -23.0978 107.228 -6.86704 GPRESSURE: 4720000 62.0196 -18.5855 -44.4965 28.558 188.621 104.618 -9.29469 73.027 13.1379 PRESSAVG: 4720000 -51.6931 28.8753 -46.9567 28.8753 1.70041 6.43192 -46.9566 6.43202 42.6953 GPRESSAVG: 4720000 -51.2018 29.0774 -47.3459 30.8189 1.46655 5.8539 -45.8947 6.46815 41.7753 TIMING: 4720000 CPU: 13664.2, 0.0029051/step Wall: 13664.2, 0.0029051/step, 0.225952 hours remaining, 210.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4720000 733.4104 2082.7318 1961.2749 113.1456 -206740.3357 18215.3905 0.0000 0.0000 34249.1250 -149385.2574 299.1061 -183634.3824 -149293.2851 298.4534 59.0558 87.9263 559235.7695 -2.4325 -2.6533 PRESSURE: 4720200 188.2 -229.287 -68.1956 -229.287 -76.6008 200.565 -68.1959 200.564 60.1426 GPRESSURE: 4720200 194.661 -240.23 -86.5633 -240.767 15.4162 204.456 -12.4567 197.18 55.7848 PRESSAVG: 4720200 19.4149 -47.9021 3.26168 -47.9021 67.1024 33.5434 3.26161 33.5435 -90.446 GPRESSAVG: 4720200 19.0817 -49.0962 2.13575 -46.8338 67.2202 33.0701 5.1358 33.6449 -89.9729 TIMING: 4720200 CPU: 13664.8, 0.00289853/step Wall: 13664.8, 0.00289853/step, 0.22528 hours remaining, 210.957031 MB of memory in use. ENERGY: 4720200 737.9209 2069.4264 1948.3199 111.9863 -206497.5353 17986.8149 0.0000 0.0000 34197.9549 -149445.1119 298.6592 -183643.0668 -149340.5165 299.3655 57.2474 88.6207 558032.6722 -1.3096 -1.2237 LDB: ============= START OF LOAD BALANCING ============== 13668.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13668.2 LDB: =============== DONE WITH MIGRATION ================ 13668.2 LDB: ============= START OF LOAD BALANCING ============== 13668.5 LDB: Largest compute 4773 load 0.027627 is 23.4% of average load 0.118071 LDB: Average compute 0.001738 is 1.5% of average load 0.118071 LDB: TIME 13668.5 LOAD: AVG 0.118071 MAX 0.178671 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.625 MB LDB: TIME 13668.5 LOAD: AVG 0.118071 MAX 0.178671 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.625 MB LDB: TIME 13668.5 LOAD: AVG 0.118071 MAX 0.178671 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13668.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13668.5 PRESSURE: 4720400 -33.7918 119.006 18.589 119.006 -132.002 -24.2311 18.5898 -24.2298 -10.7082 GPRESSURE: 4720400 0.104717 153.768 21.6181 168.056 -52.6085 -86.6998 48.7567 -80.7458 -26.2971 PRESSAVG: 4720400 -41.3984 -20.8423 -15.3416 -20.8422 -19.348 -44.7658 -15.3416 -44.766 118.639 GPRESSAVG: 4720400 -41.5324 -21.0089 -15.0241 -21.3286 -18.7694 -42.6235 -17.239 -47.4975 118.171 TIMING: 4720400 CPU: 13665.4, 0.00297769/step Wall: 13665.4, 0.00297769/step, 0.231267 hours remaining, 210.304688 MB of memory in use. ENERGY: 4720400 785.9419 2082.6677 1978.4644 106.9892 -206078.1393 17735.2942 0.0000 0.0000 34074.2826 -149314.4993 297.5792 -183388.7819 -149216.4688 299.2007 -58.8341 -26.2670 558627.6977 19.2977 19.2896 PRESSURE: 4720600 81.5625 -6.58849 26.5393 -6.58783 -101.24 -15.9005 26.5406 -15.9019 -61.904 GPRESSURE: 4720600 90.0605 4.06168 16.0314 -91.1507 -55.5875 -25.1541 -14.9781 -49.5348 -7.68429 PRESSAVG: 4720600 -5.64826 -9.28302 7.29501 -9.28305 10.8187 -48.4507 7.29506 -48.4507 11.3996 GPRESSAVG: 4720600 -5.65038 -9.63387 7.52387 -7.69196 9.64782 -51.668 5.46523 -44.5114 12.3343 TIMING: 4720600 CPU: 13666, 0.00291907/step Wall: 13666, 0.00291907/step, 0.226552 hours remaining, 210.304688 MB of memory in use. ENERGY: 4720600 726.9303 2127.6410 1980.0348 110.9552 -206125.1338 17750.0179 0.0000 0.0000 34290.2469 -149139.3077 299.4653 -183429.5546 -149041.6341 299.2632 -27.1939 8.9296 557844.1847 5.5234 5.4439 PRESSURE: 4720800 83.7515 -43.8364 -2.58926 -43.8365 298.135 24.059 -2.59032 24.0587 20.6594 GPRESSURE: 4720800 106.448 -22.245 -41.6497 -40.468 319.693 -17.8311 19.1319 -18.0023 84.598 PRESSAVG: 4720800 -1.44765 -2.38538 0.790286 -2.38536 -45.0209 -47.9105 0.790214 -47.9104 11.5832 GPRESSAVG: 4720800 -0.506638 -2.71191 0.00648925 -3.40747 -44.8665 -47.4511 2.02095 -48.9547 10.616 TIMING: 4720800 CPU: 13666.6, 0.00292089/step Wall: 13666.6, 0.00292089/step, 0.226532 hours remaining, 210.304688 MB of memory in use. ENERGY: 4720800 753.8742 2074.1416 1958.5132 105.9701 -206251.5457 17950.3295 0.0000 0.0000 34325.1356 -149083.5815 299.7699 -183408.7171 -148982.3315 299.3901 134.1820 170.2462 556986.7129 -11.6284 -11.5857 PRESSURE: 4721000 -85.0962 -87.1049 154.638 -87.1052 -169.021 14.6245 154.638 14.6233 -183.536 GPRESSURE: 4721000 -103.134 -121.001 159.574 -69.2211 -60.2914 86.5069 177.376 1.40786 -179.649 PRESSAVG: 4721000 31.2175 9.4091 -22.2057 9.4091 -61.2465 13.1107 -22.2056 13.1108 38.9234 GPRESSAVG: 4721000 29.9606 9.62071 -21.0432 9.852 -60.4861 14.5238 -20.8662 12.8108 39.5132 TIMING: 4721000 CPU: 13667.2, 0.00291069/step Wall: 13667.2, 0.00291069/step, 0.225579 hours remaining, 210.304688 MB of memory in use. ENERGY: 4721000 763.7871 2148.3340 1962.0560 113.4535 -206108.5320 17770.5069 0.0000 0.0000 34224.9819 -149125.4126 298.8953 -183350.3945 -149038.4788 299.1868 -145.8846 -114.3581 556990.5960 2.9648 2.9959 PRESSURE: 4721200 -108.923 -123.172 19.2781 -123.171 164.274 -65.1456 19.278 -65.1455 -80.104 GPRESSURE: 4721200 -24.8945 -57.7172 -81.2021 -189.423 225.647 -65.2951 59.2605 -49.7249 -127.472 PRESSAVG: 4721200 50.51 -29.5339 -22.0335 -29.5339 -2.91984 -34.8338 -22.0334 -34.8339 16.5611 GPRESSAVG: 4721200 51.3033 -29.9825 -23.7004 -29.7381 -3.19214 -35.4001 -21.3686 -34.6836 15.9834 TIMING: 4721200 CPU: 13667.7, 0.00291646/step Wall: 13667.7, 0.00291646/step, 0.225864 hours remaining, 210.507812 MB of memory in use. ENERGY: 4721200 753.4039 2087.7169 1929.4179 124.3489 -206457.0239 17871.0981 0.0000 0.0000 34404.3001 -149286.7382 300.4613 -183691.0383 -149187.8608 299.6533 -8.2509 24.4271 557397.1550 21.3837 21.3649 PRESSURE: 4721400 134.526 104.338 49.6842 104.338 77.614 71.9414 49.6838 71.9424 -35.438 GPRESSURE: 4721400 135.405 37.5158 -57.5256 112.259 114.864 52.4882 -31.2691 80.4622 17.2907 PRESSAVG: 4721400 -6.07868 -34.0579 8.76234 -34.0578 17.0918 16.2686 8.76237 16.2686 11.9727 GPRESSAVG: 4721400 -6.48702 -32.3611 7.26728 -34.4196 16.7687 16.7629 7.45068 15.5602 12.5016 TIMING: 4721400 CPU: 13668.3, 0.00290052/step Wall: 13668.3, 0.00290052/step, 0.224468 hours remaining, 210.507812 MB of memory in use. ENERGY: 4721400 752.2257 2121.9171 1936.1515 116.7229 -206230.0632 17889.7332 0.0000 0.0000 34255.7410 -149157.5718 299.1639 -183413.3128 -149063.9495 299.4172 58.9006 89.1864 557027.1655 7.6620 7.5944 PRESSURE: 4721600 -283.751 -139.539 -98.5893 -139.538 -116.984 116.907 -98.5878 116.907 -244.405 GPRESSURE: 4721600 -270.882 -110.2 -51.9474 -130.178 -87.7958 187.722 -127.805 123.351 -188.093 PRESSAVG: 4721600 3.5635 -25.8522 -9.72993 -25.8521 4.819 8.37733 -9.72992 8.3773 -33.5777 GPRESSAVG: 4721600 3.1205 -26.5696 -6.18821 -26.3772 5.87876 9.62944 -9.85058 8.56584 -33.6137 TIMING: 4721600 CPU: 13668.9, 0.00289694/step Wall: 13668.9, 0.00289694/step, 0.22403 hours remaining, 210.507812 MB of memory in use. ENERGY: 4721600 736.2743 2144.4330 1921.8065 122.4831 -205871.4541 17579.0185 0.0000 0.0000 34032.9796 -149334.4591 297.2185 -183367.4387 -149232.8031 299.3352 -215.0468 -182.2570 557479.5034 -8.3984 -8.2048 PRESSURE: 4721800 -281.798 145.484 -120.056 145.483 -303.976 88.9922 -120.056 88.9894 -467.616 GPRESSURE: 4721800 -278.718 181.516 -115 107.994 -246.603 82.9252 -144.308 88.4872 -416.764 PRESSAVG: 4721800 -28.6623 -20.0369 16.9432 -20.0369 39.2487 50.8846 16.9433 50.8847 -20.4935 GPRESSAVG: 4721800 -28.6715 -18.5099 15.8185 -21.0685 39.3475 50.0783 16.7128 50.5673 -20.1081 TIMING: 4721800 CPU: 13669.5, 0.00289339/step Wall: 13669.5, 0.00289339/step, 0.223595 hours remaining, 210.507812 MB of memory in use. ENERGY: 4721800 789.3864 2103.1862 1908.4419 119.9985 -205685.4512 17250.3602 0.0000 0.0000 34414.6170 -149099.4609 300.5514 -183514.0780 -148997.4955 299.8000 -351.1300 -314.0284 557393.4700 -3.3024 -3.1440 PRESSURE: 4722000 93.893 -85.4773 118.428 -85.4772 -92.2139 -54.2265 118.429 -54.2258 -95.3486 GPRESSURE: 4722000 111.718 -74.1067 -24.2382 -55.8996 -76.1612 7.24736 220.157 -14.6775 -32.986 PRESSAVG: 4722000 -51.9575 -22.7059 -6.42235 -22.7059 7.7104 47.9278 -6.42231 47.9278 13.8354 GPRESSAVG: 4722000 -52.0269 -23.9238 -7.76562 -21.4149 6.15979 46.4608 -5.70412 49.5749 14.718 TIMING: 4722000 CPU: 13670.1, 0.00290067/step Wall: 13670.1, 0.00290067/step, 0.223996 hours remaining, 210.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4722000 737.5718 2134.3843 1954.9657 117.8774 -205926.2267 17741.1399 0.0000 0.0000 34368.2096 -148872.0780 300.1461 -183240.2876 -148779.8782 300.4579 -31.2232 0.8571 558847.1465 -10.1372 -10.3830 PRESSURE: 4722200 -115.732 86.545 -8.15533 86.545 -63.3095 98.3707 -8.15561 98.3715 -72.0973 GPRESSURE: 4722200 -93.4015 76.9711 59.1308 99.7144 -13.4826 159.636 -81.2253 14.2537 -43.34 PRESSAVG: 4722200 -15.1921 -51.996 -7.82776 -51.9961 -40.9412 21.8545 -7.82772 21.8544 20.4883 GPRESSAVG: 4722200 -14.8508 -51.7992 -7.58353 -52.7902 -40.15 22.7011 -8.94523 19.0844 20.1477 TIMING: 4722200 CPU: 13670.6, 0.00289884/step Wall: 13670.6, 0.00289884/step, 0.223694 hours remaining, 210.507812 MB of memory in use. ENERGY: 4722200 731.2763 2164.4777 1956.3182 109.4044 -206087.6526 17761.0811 0.0000 0.0000 34440.7414 -148924.3535 300.7796 -183365.0949 -148826.3143 300.2970 -83.7131 -50.0747 557434.6421 -11.8817 -11.6177 PRESSURE: 4722400 38.7766 172.951 -94.4524 172.951 -210.42 164.605 -94.4527 164.606 76.8045 GPRESSURE: 4722400 48.9666 83.0807 -61.3326 199.753 -154.827 114.855 -84.9308 215.718 110.032 PRESSAVG: 4722400 -30.0501 -5.85112 -11.5471 -5.85107 28.6151 7.71057 -11.5471 7.71054 -4.50492 GPRESSAVG: 4722400 -30.0618 -8.04398 -9.92857 -3.4283 29.8754 8.85668 -10.3116 8.5678 -5.4186 TIMING: 4722400 CPU: 13671.2, 0.00290169/step Wall: 13671.2, 0.00290169/step, 0.223752 hours remaining, 210.507812 MB of memory in use. ENERGY: 4722400 742.0910 2102.8598 1942.6189 105.1024 -206428.5012 17919.8797 0.0000 0.0000 34548.3936 -149067.5557 301.7197 -183615.9494 -148970.4600 300.7441 -31.6131 1.3905 557244.6640 -1.9800 -1.8683 PRESSURE: 4722600 95.7449 4.40025 -34.7522 4.3997 -250.635 91.9927 -34.7508 91.993 298.762 GPRESSURE: 4722600 126.645 15.7258 -47.492 -11.1491 -226.189 90.3432 -64.6313 134.156 331.716 PRESSAVG: 4722600 28.665 14.0662 -10.6962 14.0662 -28.2424 -38.0995 -10.6961 -38.0995 -12.4664 GPRESSAVG: 4722600 28.502 14.6908 -12.5968 13.1476 -28.6679 -40.3518 -10.7443 -34.0733 -11.9603 TIMING: 4722600 CPU: 13671.8, 0.00290001/step Wall: 13671.8, 0.00290001/step, 0.223462 hours remaining, 210.507812 MB of memory in use. ENERGY: 4722600 765.9373 2107.5124 1955.9893 114.9062 -206147.4603 17876.3515 0.0000 0.0000 34183.1285 -149143.6351 298.5298 -183326.7636 -149048.8379 300.5475 47.9575 77.3906 557319.4078 -4.0146 -4.0421 PRESSURE: 4722800 84.7373 45.6766 129.786 45.6764 252.852 -99.1786 129.785 -99.1771 172.312 GPRESSURE: 4722800 94.696 68.6958 248.425 37.1171 295.408 -8.78741 66.1295 -158.486 222.486 PRESSAVG: 4722800 72.5743 -11.7326 -38.625 -11.7327 -1.63263 19.8021 -38.6248 19.8021 -62.9075 GPRESSAVG: 4722800 73.2249 -11.3689 -36.8973 -12.4109 -2.38194 20.8126 -38.5006 17.3101 -63.06 TIMING: 4722800 CPU: 13672.4, 0.00290555/step Wall: 13672.4, 0.00290555/step, 0.223727 hours remaining, 210.507812 MB of memory in use. ENERGY: 4722800 722.6464 2132.0454 1943.3158 106.7516 -206484.1550 18108.3277 0.0000 0.0000 34115.5011 -149355.5669 297.9392 -183471.0680 -149261.1301 299.3971 169.9673 204.1967 557506.8679 2.6780 2.5943 PRESSURE: 4723000 183.769 77.8352 -89.3187 77.8372 -192.567 -47.3126 -89.3181 -47.3142 -81.2427 GPRESSURE: 4723000 158.797 111.043 -143.964 60.2418 -70.7112 -90.9622 -56.0114 -67.2736 -70.3352 PRESSAVG: 4723000 28.3933 100.108 -9.39272 100.108 -37.6273 -3.69479 -9.39268 -3.69491 -19.8152 GPRESSAVG: 4723000 29.2014 100.438 -11.5424 99.7525 -38.5014 -4.03666 -10.1565 -2.27306 -19.8066 TIMING: 4723000 CPU: 13673, 0.00290411/step Wall: 13673, 0.00290411/step, 0.223455 hours remaining, 210.507812 MB of memory in use. ENERGY: 4723000 733.4409 2067.5897 1935.1823 127.2018 -206375.1352 17771.2787 0.0000 0.0000 34218.2668 -149522.1752 298.8366 -183740.4420 -149428.2659 298.6777 -30.0134 5.9170 557196.7096 -9.6831 -9.7022 PRESSURE: 4723200 64.455 93.7863 -85.0214 93.7864 -255.202 25.4456 -85.022 25.448 48.0946 GPRESSURE: 4723200 111.346 57.8414 -108.381 137.434 -241.775 56.7883 -78.6155 -5.90858 81.9218 PRESSAVG: 4723200 24.6594 -22.6906 -9.63761 -22.6907 -21.211 7.95692 -9.63766 7.95694 5.86798 GPRESSAVG: 4723200 23.2115 -22.2541 -10.3698 -23.4998 -19.4741 8.99357 -8.97456 5.90648 5.47855 TIMING: 4723200 CPU: 13673.5, 0.00292807/step Wall: 13673.5, 0.00292807/step, 0.225136 hours remaining, 210.507812 MB of memory in use. ENERGY: 4723200 740.0899 2074.1383 1937.8533 107.6511 -206269.6297 17688.5398 0.0000 0.0000 34141.8127 -149579.5446 298.1689 -183721.3573 -149477.6514 298.9491 -47.5507 -16.1691 556965.6706 3.1055 3.0720 PRESSURE: 4723400 -48.5069 80.6296 78.9452 80.6301 -115.065 35.1551 78.9455 35.1541 -46.9469 GPRESSURE: 4723400 38.0036 36.8204 17.2658 55.284 -80.5745 38.8169 102.65 91.8861 -61.3892 PRESSAVG: 4723400 80.4164 2.55922 38.7785 2.55918 -17.0317 39.8011 38.7785 39.8011 -48.0634 GPRESSAVG: 4723400 82.1374 2.115 40.2165 1.72064 -17.7792 40.7643 38.1995 40.0397 -48.9186 TIMING: 4723400 CPU: 13674.1, 0.00291232/step Wall: 13674.1, 0.00291232/step, 0.223763 hours remaining, 210.507812 MB of memory in use. ENERGY: 4723400 746.0233 2090.7773 1925.6559 124.0271 -206704.3107 17779.0324 0.0000 0.0000 34247.3596 -149791.4351 299.0907 -184038.7947 -149692.2460 298.5739 -70.1730 -34.6534 554885.0839 5.1071 5.1465 PRESSURE: 4723600 -190.074 -3.74827 -144.973 -3.74783 -76.867 111.868 -144.973 111.867 1.35763 GPRESSURE: 4723600 -110.369 35.2858 -166.093 -30.6934 -40.3081 76.9858 -119.267 48.9202 -20.2041 PRESSAVG: 4723600 20.4737 -2.9157 2.90641 -2.91568 -14.9297 -35.3353 2.90641 -35.3353 -3.49353 GPRESSAVG: 4723600 19.5251 -4.27742 3.46026 -2.90474 -15.7729 -36.9043 1.1022 -34.6057 -2.22132 TIMING: 4723600 CPU: 13674.7, 0.00292738/step Wall: 13674.7, 0.00292738/step, 0.224758 hours remaining, 210.507812 MB of memory in use. ENERGY: 4723600 720.0807 2079.7689 1929.6290 106.2194 -206402.1793 17666.6879 0.0000 0.0000 34293.0466 -149606.7469 299.4897 -183899.7935 -149508.2707 298.4242 -88.5280 -56.9605 556058.9463 0.6835 0.5103 PRESSURE: 4723800 132.235 41.9702 -84.4728 41.9699 108.196 64.4144 -84.4737 64.4155 113.997 GPRESSURE: 4723800 236.62 86.0469 -78.5632 -31.6876 95.0539 174.8 -74.1148 47.2345 130.259 PRESSAVG: 4723800 -34.1297 -14.0643 21.2956 -14.0643 -6.32095 18.5193 21.2956 18.5193 12.8403 GPRESSAVG: 4723800 -34.3128 -15.3814 21.7555 -12.1256 -5.08521 20.4343 20.7059 19.1104 11.9428 TIMING: 4723800 CPU: 13675.3, 0.00290537/step Wall: 13675.3, 0.00290537/step, 0.222906 hours remaining, 210.507812 MB of memory in use. ENERGY: 4723800 757.8622 2091.6238 1926.7489 103.7215 -206535.6855 18067.7336 0.0000 0.0000 34052.7799 -149535.2156 297.3914 -183587.9955 -149449.5646 298.3694 118.1425 153.9776 554815.7910 -9.2034 -9.1518 PRESSURE: 4724000 118.175 -195.96 -53.3091 -195.959 242.957 60.9824 -53.3088 60.9835 -39.2803 GPRESSURE: 4724000 172.79 -257.101 -67.6063 -231.003 267.645 -7.00669 -90.3435 98.6884 -11.3708 PRESSAVG: 4724000 35.1937 -56.3936 24.7998 -56.3936 -1.34233 41.8325 24.7999 41.8325 -21.11 GPRESSAVG: 4724000 35.0863 -54.9236 24.6437 -56.9549 -2.7279 39.2647 26.0688 41.7768 -19.9353 TIMING: 4724000 CPU: 13675.9, 0.00289664/step Wall: 13675.9, 0.00289664/step, 0.222076 hours remaining, 210.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4724000 719.6800 2121.3462 1940.5273 102.3536 -206426.6237 17835.9047 0.0000 0.0000 34159.5909 -149547.2211 298.3242 -183706.8119 -149451.0416 298.9702 107.2841 143.0215 555040.8618 4.2471 4.1410 PRESSURE: 4724200 -24.9529 -84.2001 95.7436 -84.1995 144.782 61.9367 95.7425 61.9363 -215.635 GPRESSURE: 4724200 -4.48375 -118.248 27.2748 5.11158 192.922 92.7985 137.729 55.0514 -194.954 PRESSAVG: 4724200 22.3878 22.9482 28.6151 22.9482 24.6792 2.54667 28.6151 2.54677 -14.1197 GPRESSAVG: 4724200 22.5361 23.8694 26.7648 22.5802 24.4214 3.87721 29.9118 1.97288 -14.5796 TIMING: 4724200 CPU: 13676.5, 0.00292387/step Wall: 13676.5, 0.00292387/step, 0.224001 hours remaining, 210.507812 MB of memory in use. ENERGY: 4724200 720.1309 2130.9249 1918.9608 132.8958 -206411.3583 17683.9915 0.0000 0.0000 34225.0881 -149599.3664 298.8962 -183824.4545 -149503.1354 299.1418 -31.9355 -2.1718 555878.7905 10.9824 10.7926 LDB: ============= START OF LOAD BALANCING ============== 13679.8 LDB: ============== END OF LOAD BALANCING =============== 13679.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13679.8 LDB: ============= START OF LOAD BALANCING ============== 13680.1 LDB: Largest compute 4773 load 0.027737 is 23.5% of average load 0.117952 LDB: Average compute 0.001736 is 1.5% of average load 0.117952 LDB: TIME 13680.1 LOAD: AVG 0.117952 MAX 0.179448 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.469 MB LDB: TIME 13680.1 LOAD: AVG 0.117952 MAX 0.179448 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.469 MB LDB: TIME 13680.1 LOAD: AVG 0.117952 MAX 0.179448 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.469 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13680.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13680.1 PRESSURE: 4724400 -277.072 71.8964 -42.4045 71.8963 -44.8851 -163.599 -42.4044 -163.597 -635.236 GPRESSURE: 4724400 -291.249 76.8621 5.69809 58.2079 -32.5312 -192.25 -6.99195 -155.788 -532.019 PRESSAVG: 4724400 -7.72011 -17.3022 13.6904 -17.3022 -1.90568 13.8247 13.6904 13.8248 -9.08681 GPRESSAVG: 4724400 -8.44762 -20.5411 17.6562 -16.2719 -2.3449 12.2624 12.1952 13.4647 -8.08743 TIMING: 4724400 CPU: 13677, 0.00296689/step Wall: 13677, 0.00296689/step, 0.227132 hours remaining, 211.468750 MB of memory in use. ENERGY: 4724400 743.2015 2058.7523 1929.4375 122.5565 -206225.8258 17435.1250 0.0000 0.0000 34384.1854 -149552.5675 300.2856 -183936.7529 -149450.4553 299.0249 -319.0644 -285.2664 557384.8685 -6.2375 -6.2933 PRESSURE: 4724600 -154.733 -41.2879 -6.68616 -41.2876 -62.2382 26.8704 -6.68579 26.8707 -136.119 GPRESSURE: 4724600 -140.078 -102.51 -71.8669 15.2863 -13.7129 25.7121 -28.7742 60.9092 -104.708 PRESSAVG: 4724600 6.02949 30.7887 -2.75725 30.7888 21.676 4.89206 -2.75734 4.89197 41.1324 GPRESSAVG: 4724600 5.32806 30.2289 -4.96348 32.2677 23.0759 5.17517 -1.60842 6.67852 40.7932 TIMING: 4724600 CPU: 13677.6, 0.00292608/step Wall: 13677.6, 0.00292608/step, 0.223845 hours remaining, 211.539062 MB of memory in use. ENERGY: 4724600 761.1128 2080.5404 1944.6404 100.4351 -206493.1801 17694.9287 0.0000 0.0000 34285.4362 -149626.0864 299.4232 -183911.5226 -149531.0236 299.1903 -117.6967 -86.1662 556503.1514 22.9459 23.0657 PRESSURE: 4724800 -33.5829 8.10062 -17.3169 8.10166 -248.66 156.428 -17.3176 156.43 54.9832 GPRESSURE: 4724800 56.9425 38.3046 -33.9819 5.09553 -220.496 93.3884 34.5765 236.114 24.981 PRESSAVG: 4724800 19.6278 27.4623 -5.73025 27.4623 -22.5983 64.175 -5.73037 64.175 -42.2483 GPRESSAVG: 4724800 20.1818 29.0774 -6.45459 25.9173 -23.2045 63.2854 -5.11223 63.5686 -42.4637 TIMING: 4724800 CPU: 13678.2, 0.00292947/step Wall: 13678.2, 0.00292947/step, 0.223942 hours remaining, 211.539062 MB of memory in use. ENERGY: 4724800 739.3282 2078.6324 1961.8071 122.2572 -206301.3128 17902.9504 0.0000 0.0000 34203.3508 -149292.9867 298.7064 -183496.3375 -149193.0372 298.8765 -75.7531 -46.1907 557505.3364 -15.0729 -15.1621 PRESSURE: 4725000 151.1 -66.1088 2.09931 -66.1083 421.137 92.4613 2.09886 92.4619 -51.4984 GPRESSURE: 4725000 201.772 -31.316 68.8197 -87.934 456.001 96.6903 -21.0095 78.3225 -24.9658 PRESSAVG: 4725000 19.16 -8.54568 15.7076 -8.54569 -4.64691 -7.48047 15.7076 -7.48051 -55.412 GPRESSAVG: 4725000 19.3482 -8.39519 15.2965 -8.34597 -4.13615 -7.69469 16.0556 -6.04355 -56.0894 TIMING: 4725000 CPU: 13678.8, 0.00291483/step Wall: 13678.8, 0.00291483/step, 0.222661 hours remaining, 211.539062 MB of memory in use. ENERGY: 4725000 745.1960 2095.2059 1943.4677 107.3097 -206375.9026 17921.2606 0.0000 0.0000 34397.7863 -149165.6765 300.4044 -183563.4628 -149072.2943 299.3476 173.5797 210.9358 555869.0110 -13.6330 -13.6258 PRESSURE: 4725200 -194.808 142.005 -129.032 142.006 -168.329 85.2392 -129.032 85.2372 -373.458 GPRESSURE: 4725200 -179.129 141.019 -58.7892 148.099 -149.857 71.1668 -124.24 70.7145 -305.546 PRESSAVG: 4725200 32.1455 10.8178 52.5073 10.8178 -1.58739 -22.8945 52.5073 -22.8945 -94.0169 GPRESSAVG: 4725200 31.7757 10.9831 54.2789 10.4167 -2.09874 -20.8438 49.8847 -24.9959 -93.4856 TIMING: 4725200 CPU: 13679.4, 0.00293122/step Wall: 13679.4, 0.00293122/step, 0.22375 hours remaining, 211.539062 MB of memory in use. ENERGY: 4725200 755.2369 2205.1655 1928.9456 98.8945 -205699.0379 17329.7682 0.0000 0.0000 34357.4428 -149023.5843 300.0521 -183381.0272 -148928.0636 300.0571 -245.5314 -211.5103 556524.8038 -21.1529 -21.2695 PRESSURE: 4725400 -89.6044 91.3318 -131.736 91.3342 -53.839 -97.9201 -131.735 -97.9202 -166.361 GPRESSURE: 4725400 -78.6297 51.5035 -149.106 52.54 -8.30921 -157.878 -71.1973 -120.481 -139.704 PRESSAVG: 4725400 21.7415 7.8043 -10.9106 7.80431 10.222 -19.7946 -10.9106 -19.7946 -83.2475 GPRESSAVG: 4725400 21.1824 9.68691 -9.84561 6.24225 11.1325 -21.286 -10.8822 -20.7657 -83.6116 TIMING: 4725400 CPU: 13680, 0.00290251/step Wall: 13680, 0.00290251/step, 0.221397 hours remaining, 211.539062 MB of memory in use. ENERGY: 4725400 751.5664 2113.2996 1914.7152 103.0424 -205707.3954 17524.1631 0.0000 0.0000 34284.3188 -149016.2900 299.4135 -183300.6088 -148921.3726 300.1493 -103.2682 -75.5475 556724.1584 -17.0947 -17.0989 PRESSURE: 4725600 -25.6633 14.9338 129.275 14.9335 -32.4318 13.2127 129.275 13.2132 -0.0180537 GPRESSURE: 4725600 39.3693 -23.4321 155.67 56.5727 -16.6916 9.33896 72.1247 -19.3177 20.0754 PRESSAVG: 4725600 12.9919 21.2518 -41.2305 21.2518 9.26556 -6.18256 -41.2304 -6.18253 3.96287 GPRESSAVG: 4725600 14.3967 21.0199 -42.7872 22.6319 8.51763 -4.86455 -40.7487 -5.10197 2.91892 TIMING: 4725600 CPU: 13680.5, 0.0028924/step Wall: 13680.5, 0.0028924/step, 0.220466 hours remaining, 211.539062 MB of memory in use. ENERGY: 4725600 728.6539 2098.1399 1916.4693 102.9002 -205885.4919 17751.2249 0.0000 0.0000 34378.7646 -148909.3392 300.2383 -183288.1037 -148814.0390 300.4034 -19.3710 14.2510 557970.1596 8.7401 8.6111 PRESSURE: 4725800 174.65 38.009 -71.8618 38.009 78.4104 12.7234 -71.8599 12.7243 -36.3049 GPRESSURE: 4725800 201.604 128.407 -48.8263 -56.0589 94.7254 -2.36867 -148.393 39.3492 10.7072 PRESSAVG: 4725800 -18.1567 -36.1646 -17.79 -36.1645 24.6926 25.3719 -17.79 25.372 -0.417569 GPRESSAVG: 4725800 -19.8578 -39.1327 -17.546 -33.565 25.2893 25.54 -18.0226 25.1132 0.344982 TIMING: 4725800 CPU: 13681.1, 0.00288964/step Wall: 13681.1, 0.00288964/step, 0.220094 hours remaining, 211.539062 MB of memory in use. ENERGY: 4725800 788.8623 2093.2407 1943.4015 114.4098 -206032.5314 17949.1058 0.0000 0.0000 34221.1990 -148922.3122 298.8622 -183143.5113 -148829.2909 300.4066 72.2518 102.3456 558267.8239 2.0395 1.9255 PRESSURE: 4726000 -44.5267 -100.434 49.9226 -100.433 268.789 53.619 49.9235 53.6178 -74.8769 GPRESSURE: 4726000 16.9015 -146.54 62.5803 -48.5845 288.192 -97.3659 63.58 81.7577 -49.5551 PRESSAVG: 4726000 -24.237 -1.06823 5.12935 -1.06826 20.8327 -54.2333 5.12941 -54.2333 8.31174 GPRESSAVG: 4726000 -24.095 2.30176 3.26149 -2.41482 20.2541 -54.2586 5.18869 -55.5026 9.43392 TIMING: 4726000 CPU: 13681.7, 0.00289508/step Wall: 13681.7, 0.00289508/step, 0.220348 hours remaining, 211.539062 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: 4726000 741.4732 2089.4601 1926.9444 106.2564 -205934.6123 17792.0804 0.0000 0.0000 34353.3821 -148925.0157 300.0166 -183278.3978 -148822.9349 300.5972 49.7950 85.1796 557398.6174 1.6358 1.8643 PRESSURE: 4726200 -41.1391 25.2284 -16.9628 25.2277 77.487 -48.8313 -16.964 -48.8325 190.861 GPRESSURE: 4726200 33.9884 12.2089 10.8339 84.3593 115.244 -35.9358 -97.0442 -30.7163 180.587 PRESSAVG: 4726200 -0.0921655 -14.5297 -15.2217 -14.5298 41.7491 -7.64417 -15.2217 -7.64419 -46.4144 GPRESSAVG: 4726200 1.07023 -14.6373 -13.4634 -16.1285 42.1195 -7.60737 -16.7939 -7.31749 -47.2849 TIMING: 4726200 CPU: 13682.3, 0.00291147/step Wall: 13682.3, 0.00291147/step, 0.221434 hours remaining, 211.539062 MB of memory in use. ENERGY: 4726200 729.8071 2165.2315 1963.9501 107.2277 -206198.7295 17852.6502 0.0000 0.0000 34509.9712 -148869.8918 301.3842 -183379.8630 -148782.0731 300.0135 75.7365 109.9399 558686.6151 -1.5858 -1.3651 PRESSURE: 4726400 141.347 22.9548 132.83 22.9545 -8.77875 152.703 132.83 152.702 42.5388 GPRESSURE: 4726400 154.38 10.9111 131.301 -1.96629 -10.7271 103.632 50.5026 110.915 117.754 PRESSAVG: 4726400 -46.5582 33.5016 -21.2045 33.5016 41.1257 53.5675 -21.2046 53.5675 -7.10359 GPRESSAVG: 4726400 -47.3291 33.58 -20.297 32.0656 41.799 51.5334 -20.8624 54.9607 -7.41844 TIMING: 4726400 CPU: 13682.9, 0.00293434/step Wall: 13682.9, 0.00293434/step, 0.22301 hours remaining, 211.539062 MB of memory in use. ENERGY: 4726400 763.1954 2161.0238 1938.3610 107.7926 -205723.9044 17741.9673 0.0000 0.0000 34213.9970 -148797.5674 298.7993 -183011.5644 -148695.5142 300.1914 58.3691 87.1357 559955.0214 -4.1787 -4.3162 PRESSURE: 4726600 -32.8235 -43.2741 58.9225 -43.2737 -65.7468 88.5033 58.9216 88.5037 103.987 GPRESSURE: 4726600 24.4532 -18.7882 -19.7343 -25.4988 -52.7079 142.692 44.0249 45.0331 117.324 PRESSAVG: 4726600 9.79116 -6.64569 -22.6233 -6.64575 -24.595 28.836 -22.6233 28.8359 -5.6522 GPRESSAVG: 4726600 8.60526 -6.17537 -24.3439 -4.23048 -24.7898 30.2251 -21.4816 27.0615 -4.21528 TIMING: 4726600 CPU: 13683.5, 0.00293196/step Wall: 13683.5, 0.00293196/step, 0.222666 hours remaining, 211.539062 MB of memory in use. ENERGY: 4726600 737.0167 2169.2109 1972.4762 109.5752 -205669.9286 17593.4950 0.0000 0.0000 34240.6748 -148847.4798 299.0323 -183088.1546 -148748.3266 299.8994 1.8057 29.6898 559094.3506 -6.8187 -6.8000 PRESSURE: 4726800 60.1328 21.8272 15.3009 21.8275 237.191 4.24832 15.3007 4.24846 117.207 GPRESSURE: 4726800 85.8481 -27.6455 9.32355 11.5335 261.828 25.2184 -56.6347 -25.1302 166.914 PRESSAVG: 4726800 43.4144 -48.8804 -28.6241 -48.8803 -30.4626 11.8475 -28.6242 11.8474 10.5233 GPRESSAVG: 4726800 44.6898 -50.1494 -28.4527 -49.915 -30.2177 10.8228 -28.8179 13.1863 9.17739 TIMING: 4726800 CPU: 13684, 0.00293326/step Wall: 13684, 0.00293326/step, 0.222602 hours remaining, 211.539062 MB of memory in use. ENERGY: 4726800 763.0922 2056.5350 1957.3031 106.4519 -205985.4075 17964.2673 0.0000 0.0000 34399.1935 -148738.5645 300.4167 -183137.7581 -148641.7689 299.8250 138.1770 171.5300 556445.8100 7.8251 7.8832 PRESSURE: 4727000 85.6219 -98.8216 -54.3497 -98.8216 -289.968 136.904 -54.3499 136.905 -219.472 GPRESSURE: 4727000 156.687 -211.5 -8.97472 8.67019 -280.208 79.1696 -85.477 192.07 -214.46 PRESSAVG: 4727000 20.6931 8.51214 6.99841 8.51222 49.1641 42.766 6.99832 42.766 -81.696 GPRESSAVG: 4727000 21.8434 9.67641 8.34313 10.0869 47.8363 43.8854 6.13505 40.1933 -81.8997 TIMING: 4727000 CPU: 13684.6, 0.00292869/step Wall: 13684.6, 0.00292869/step, 0.222092 hours remaining, 211.539062 MB of memory in use. ENERGY: 4727000 754.8900 2119.1794 1909.7440 114.5474 -205699.6656 17550.6622 0.0000 0.0000 34488.9961 -148761.6466 301.2010 -183250.6427 -148658.8790 300.3127 -141.2728 -112.6605 558366.0478 -3.9463 -4.0733 PRESSURE: 4727200 -338.048 77.6601 -90.5738 77.6624 -160.876 29.9769 -90.574 29.9761 5.87723 GPRESSURE: 4727200 -318.073 92.4408 -87.7548 92.4852 -148.733 -68.0224 -143.746 76.2015 58.6401 PRESSAVG: 4727200 1.47525 -53.0801 30.0006 -53.0803 -7.41778 36.8283 30.0005 36.8282 -33.3018 GPRESSAVG: 4727200 0.396437 -53.266 29.9912 -54.5522 -6.19931 39.3279 31.9204 37.7486 -33.294 TIMING: 4727200 CPU: 13685.2, 0.00294102/step Wall: 13685.2, 0.00294102/step, 0.222864 hours remaining, 211.539062 MB of memory in use. ENERGY: 4727200 755.1627 2092.4645 1978.5601 105.3308 -205385.1143 17386.3338 0.0000 0.0000 34290.1850 -148777.0774 299.4647 -183067.2624 -148677.7823 300.5836 -164.3487 -136.0555 558857.9830 -13.0814 -13.0323 PRESSURE: 4727400 0.139483 2.35543 88.2746 2.35673 -41.6076 -120.314 88.2742 -120.315 25.0828 GPRESSURE: 4727400 24.5244 50.3873 19.1881 -4.31068 25.7217 -112.797 132.313 -91.3146 26.9252 PRESSAVG: 4727400 47.5783 -0.0265042 -6.63234 -0.0266344 -51.8704 -22.4957 -6.63227 -22.4957 -7.99665 GPRESSAVG: 4727400 48.2278 0.384181 -8.54933 -2.57089 -52.7741 -25.9548 -6.60283 -19.7522 -7.95634 TIMING: 4727400 CPU: 13685.8, 0.00293088/step Wall: 13685.8, 0.00293088/step, 0.221933 hours remaining, 211.539062 MB of memory in use. ENERGY: 4727400 738.0437 2094.5457 1978.3780 101.4683 -206000.5847 17812.4725 0.0000 0.0000 34481.4229 -148794.2535 301.1348 -183275.6764 -148698.6484 299.9887 -5.4618 25.7238 559765.2057 -4.0962 -4.1676 PRESSURE: 4727600 -404.296 79.524 -20.5921 79.5234 15.7786 79.8304 -20.5923 79.831 -258.472 GPRESSURE: 4727600 -394.726 139.748 35.3735 127.193 74.3215 61.9515 -55.5338 83.8302 -237.825 PRESSAVG: 4727600 -80.9765 14.953 1.78991 14.9529 70.5535 -6.08207 1.78991 -6.0821 26.8216 GPRESSAVG: 4727600 -81.6152 12.7904 0.126234 17.4497 71.4884 -7.26049 0.623665 -7.68337 27.1781 TIMING: 4727600 CPU: 13686.4, 0.00291223/step Wall: 13686.4, 0.00291223/step, 0.220359 hours remaining, 211.539062 MB of memory in use. ENERGY: 4727600 776.5718 2066.8758 1938.0216 109.7630 -205727.2721 17564.1388 0.0000 0.0000 34342.2172 -148929.6839 299.9191 -183271.9011 -148828.4831 300.1452 -215.6631 -186.0767 558662.3818 5.4662 5.6838 PRESSURE: 4727800 29.1679 80.6533 -169.652 80.6525 260.664 195.426 -169.653 195.427 81.0173 GPRESSURE: 4727800 60.9456 195.809 -62.7629 17.4539 292.761 131.85 -156.364 218.3 118.247 PRESSAVG: 4727800 -24.8448 -4.68595 5.43643 -4.68576 3.12948 -1.24792 5.4363 -1.24774 14.435 GPRESSAVG: 4727800 -23.8156 -3.69388 7.26009 -6.04289 2.12901 -0.237715 4.7468 -0.72505 14.4838 TIMING: 4727800 CPU: 13687, 0.00291216/step Wall: 13687, 0.00291216/step, 0.220191 hours remaining, 211.539062 MB of memory in use. ENERGY: 4727800 734.6240 2027.7622 1961.6811 102.2457 -205917.4707 17995.2556 0.0000 0.0000 34306.5000 -148789.4021 299.6072 -183095.9021 -148690.6838 300.0184 123.6164 157.3178 558476.0496 -2.4268 -2.4009 PRESSURE: 4728000 -182.392 -70.8372 74.6742 -70.8369 54.8881 204.474 74.674 204.474 -189.285 GPRESSURE: 4728000 -135.688 -184.978 45.2608 44.5954 45.9616 185.746 14.9402 299.396 -126.762 PRESSAVG: 4728000 -4.75313 0.632187 -0.19097 0.632151 16.7067 17.7459 -0.190864 17.746 -29.3415 GPRESSAVG: 4728000 -5.23383 -1.93227 -0.350726 1.78354 17.0169 16.5412 -1.25714 17.4981 -29.2188 TIMING: 4728000 CPU: 13687.6, 0.00291508/step Wall: 13687.6, 0.00291508/step, 0.22025 hours remaining, 211.539062 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: 4728000 806.3946 2047.2856 1955.2308 121.4088 -205627.9624 17629.4698 0.0000 0.0000 34422.9073 -148645.2656 300.6238 -183068.1728 -148549.2720 299.7507 -105.5963 -72.1627 558034.7055 -5.7960 -5.8119 PRESSURE: 4728200 -245.965 -75.7426 -12.1925 -75.7418 -35.565 -5.24252 -12.1936 -5.24376 -183.126 GPRESSURE: 4728200 -245.314 -81.6378 38.3772 -85.3015 25.0208 0.296094 -28.4171 -95.8363 -156.183 PRESSAVG: 4728200 27.0448 -7.71872 1.28275 -7.71876 41.3481 -13.8675 1.28271 -13.8676 -37.2772 GPRESSAVG: 4728200 26.8761 -6.65305 1.49357 -5.81676 41.4422 -11.9616 1.57012 -13.449 -37.1919 TIMING: 4728200 CPU: 13688.1, 0.00292664/step Wall: 13688.1, 0.00292664/step, 0.220961 hours remaining, 211.539062 MB of memory in use. ENERGY: 4728200 772.4970 2033.7603 1956.2168 100.8647 -205722.6380 17619.7840 0.0000 0.0000 34702.5123 -148537.0030 303.0657 -183239.5153 -148443.1542 300.9404 -154.8852 -125.4921 559233.2315 10.3719 10.3755 LDB: ============= START OF LOAD BALANCING ============== 13691.5 LDB: ============== END OF LOAD BALANCING =============== 13691.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13691.5 LDB: ============= START OF LOAD BALANCING ============== 13691.8 LDB: Largest compute 4800 load 0.026562 is 22.5% of average load 0.118059 LDB: Average compute 0.001734 is 1.5% of average load 0.118059 LDB: TIME 13691.8 LOAD: AVG 0.118059 MAX 0.178257 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.676 MB LDB: TIME 13691.8 LOAD: AVG 0.118059 MAX 0.178257 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.676 MB LDB: TIME 13691.8 LOAD: AVG 0.118059 MAX 0.178257 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.676 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13691.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13691.8 PRESSURE: 4728400 -64.5644 -46.6617 -106.178 -46.6624 -116.374 3.20003 -106.178 3.20018 177.861 GPRESSURE: 4728400 -29.1202 -83.6691 -140.538 -56.4616 -66.8038 -145.299 -76.8545 61.531 191.294 PRESSAVG: 4728400 -6.81715 -3.42531 -48.006 -3.42544 -3.81076 12.6161 -48.0059 12.6162 19.2633 GPRESSAVG: 4728400 -6.06132 -2.81735 -46.8202 -6.10523 -4.19113 11.0245 -46.2531 14.4099 19.2666 TIMING: 4728400 CPU: 13688.7, 0.00298336/step Wall: 13688.7, 0.00298336/step, 0.225078 hours remaining, 210.187500 MB of memory in use. ENERGY: 4728400 753.4226 2105.6809 1946.1723 112.2353 -206033.9206 17810.2623 0.0000 0.0000 34564.4079 -148741.7393 301.8596 -183306.1471 -148644.2199 300.8509 -1.0256 31.7899 558947.6684 2.8785 3.0047 PRESSURE: 4728600 68.1653 -98.3476 -90.7851 -98.3479 -48.7289 -120.674 -90.7854 -120.675 141.453 GPRESSURE: 4728600 77.0732 -59.3968 -75.2652 -66.4745 53.8062 -103.853 -72.3708 -75.1573 125.139 PRESSAVG: 4728600 49.2183 -36.658 -12.3041 -36.6579 18.5316 -25.8316 -12.3042 -25.8318 -111.642 GPRESSAVG: 4728600 47.1782 -35.8045 -11.4739 -36.4469 20.175 -26.6116 -14.0044 -27.2377 -111.782 TIMING: 4728600 CPU: 13689.3, 0.00293501/step Wall: 13689.3, 0.00293501/step, 0.221267 hours remaining, 210.187500 MB of memory in use. ENERGY: 4728600 788.6956 2109.9194 1955.4605 125.0576 -206222.8299 17922.9580 0.0000 0.0000 34665.0216 -148655.7171 302.7383 -183320.7388 -148563.2309 300.7228 53.6297 85.3395 559872.5550 -14.6309 -14.8097 PRESSURE: 4728800 74.1227 118.086 114.62 118.086 -98.593 -48.2157 114.621 -48.2165 -285.596 GPRESSURE: 4728800 172.369 69.6615 116.546 67.981 -100.119 -78.8111 135.911 14.0705 -289.731 PRESSAVG: 4728800 28.3956 -2.82004 29.9891 -2.82008 -3.45699 -24.9357 29.989 -24.9358 -29.2899 GPRESSAVG: 4728800 29.0997 -2.23052 27.1363 -3.71259 -4.04773 -23.7262 31.4338 -23.0271 -29.2626 TIMING: 4728800 CPU: 13689.9, 0.00291676/step Wall: 13689.9, 0.00291676/step, 0.219729 hours remaining, 210.187500 MB of memory in use. ENERGY: 4728800 768.3652 2029.0535 1956.9010 119.1535 -205440.1560 17536.2978 0.0000 0.0000 34489.1134 -148541.2715 301.2020 -183030.3849 -148442.5654 299.9829 -103.3555 -72.4938 559747.5215 -1.4504 -1.4035 PRESSURE: 4729000 218.181 72.1522 -164.623 72.152 22.5158 -110.77 -164.623 -110.771 -117.801 GPRESSURE: 4729000 252.653 150.337 -192.784 29.1436 73.2951 -123.98 -152.65 -96.5936 -109.249 PRESSAVG: 4729000 155.161 59.9658 30.4973 59.9659 -28.8197 -28.0696 30.4974 -28.0695 -86.1167 GPRESSAVG: 4729000 154.33 60.0483 30.2612 57.5612 -29.14 -27.2075 29.8813 -29.8802 -85.6397 TIMING: 4729000 CPU: 13690.5, 0.00289494/step Wall: 13690.5, 0.00289494/step, 0.217924 hours remaining, 210.187500 MB of memory in use. ENERGY: 4729000 732.1602 2070.8138 1939.8470 107.2249 -205436.1088 17613.8028 0.0000 0.0000 34463.7928 -148508.4673 300.9809 -182972.2601 -148410.5453 301.0556 40.9653 72.2330 559685.8765 13.4082 13.1834 PRESSURE: 4729200 -67.5393 55.9538 44.4452 55.9543 43.8754 106.55 44.445 106.549 255.772 GPRESSURE: 4729200 -15.4399 67.9185 140.258 132.831 47.3323 85.4554 -34.8749 67.7338 292.332 PRESSAVG: 4729200 74.3294 19.6304 46.3435 19.6304 -5.87593 -21.0691 46.3435 -21.0691 -76.1996 GPRESSAVG: 4729200 74.5373 17.8894 48.3884 24.2812 -5.40127 -23.4814 45.9614 -22.7413 -77.3701 TIMING: 4729200 CPU: 13691.1, 0.00291902/step Wall: 13691.1, 0.00291902/step, 0.219575 hours remaining, 210.187500 MB of memory in use. ENERGY: 4729200 736.6660 2061.8365 1933.7132 107.2671 -205708.2325 17800.3928 0.0000 0.0000 34605.2910 -148463.0658 302.2166 -183068.3568 -148362.8890 301.6716 77.3693 108.0749 557976.9817 -2.5820 -2.7447 PRESSURE: 4729400 119.708 72.6615 154.159 72.6607 -196.783 -64.5378 154.158 -64.5384 -16.9259 GPRESSURE: 4729400 145.713 51.8557 169.135 84.4132 -171.663 -74.7713 140.272 7.33426 32.6959 PRESSAVG: 4729400 152.368 63.119 6.83553 63.1191 -77.2927 -32.9572 6.83549 -32.9573 -32.7671 GPRESSAVG: 4729400 153.411 65.1278 4.69739 61.1395 -77.6594 -30.0289 8.5695 -31.0328 -33.3782 TIMING: 4729400 CPU: 13691.7, 0.00292559/step Wall: 13691.7, 0.00292559/step, 0.219907 hours remaining, 210.187500 MB of memory in use. ENERGY: 4729400 751.8313 2021.7586 1935.2523 114.3571 -205591.1024 17595.7023 0.0000 0.0000 34547.0830 -148625.1177 301.7083 -183172.2008 -148525.0820 301.4871 -31.3336 2.2485 559082.7431 14.1028 14.1244 PRESSURE: 4729600 36.3345 177.184 41.3077 177.184 1.2391 -107.728 41.3067 -107.728 38.6228 GPRESSURE: 4729600 84.5149 123.433 36.521 207.391 2.34151 -27.3682 23.3053 -127.766 81.7122 PRESSAVG: 4729600 62.2106 12.3477 89.4529 12.3478 35.825 -43.4945 89.4529 -43.4945 -100.341 GPRESSAVG: 4729600 62.1134 12.4274 88.8728 11.4389 35.3907 -45.199 87.7995 -42.802 -100.062 TIMING: 4729600 CPU: 13692.2, 0.00289871/step Wall: 13692.2, 0.00289871/step, 0.217726 hours remaining, 210.187500 MB of memory in use. ENERGY: 4729600 742.3594 2083.8777 1948.3525 106.5148 -205931.7358 17934.2335 0.0000 0.0000 34373.7213 -148742.6767 300.1943 -183116.3979 -148646.4016 300.3851 25.3988 56.1895 557983.4326 -0.7683 -0.8527 PRESSURE: 4729800 -227.753 -36.1893 50.2824 -36.1883 165.68 158.61 50.2817 158.61 -190.875 GPRESSURE: 4729800 -209.598 4.26055 -41.1713 -37.9281 190.674 124.814 35.951 112.601 -144.615 PRESSAVG: 4729800 -17.9994 -21.742 56.3646 -21.7419 67.1202 57.4853 56.3648 57.4853 -87.8005 GPRESSAVG: 4729800 -18.3168 -23.5053 59.4461 -18.9904 67.3826 57.3609 55.1293 55.1646 -87.7578 TIMING: 4729800 CPU: 13692.8, 0.00290735/step Wall: 13692.8, 0.00290735/step, 0.218213 hours remaining, 210.187500 MB of memory in use. ENERGY: 4729800 728.8514 2104.1944 1951.8941 103.7878 -205766.2504 17681.1371 0.0000 0.0000 34395.1789 -148801.2065 300.3817 -183196.3855 -148709.6467 301.3931 -84.3159 -54.5129 558861.0511 -12.8932 -12.8973 PRESSURE: 4730000 -193.048 -3.52768 9.99118 -3.52631 -168.168 53.4843 9.99196 53.484 -181.278 GPRESSURE: 4730000 -126.964 38.9123 -95.8448 -42.9481 -177.528 21.2895 -12.6648 78.2304 -154.473 PRESSAVG: 4730000 35.9808 3.74007 37.0863 3.74017 47.4929 26.089 37.0863 26.089 -78.6895 GPRESSAVG: 4730000 34.6141 5.79208 35.8402 2.02022 48.0535 27.1725 38.0977 26.9927 -79.068 TIMING: 4730000 CPU: 13693.4, 0.00289501/step Wall: 13693.4, 0.00289501/step, 0.217126 hours remaining, 210.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4730000 740.5591 2066.4432 1961.7239 111.8136 -205533.1317 17443.2338 0.0000 0.0000 34405.0830 -148804.2751 300.4681 -183209.3581 -148701.0798 301.2964 -180.8315 -152.9885 557928.2936 1.5947 1.1999 PRESSURE: 4730200 -135.955 -12.7041 -4.29507 -12.7043 113.234 149.875 -4.29505 149.875 -64.0642 GPRESSURE: 4730200 -88.6815 -39.2761 -15.2991 25.3302 129.57 142.312 68.4969 146.581 -43.6117 PRESSAVG: 4730200 -13.335 -17.8809 35.4311 -17.8809 43.1344 -8.36916 35.4312 -8.36919 20.6025 GPRESSAVG: 4730200 -10.9548 -18.0712 35.2734 -16.7551 42.4093 -6.21142 36.1833 -7.55322 19.11 TIMING: 4730200 CPU: 13694, 0.00290138/step Wall: 13694, 0.00290138/step, 0.217442 hours remaining, 210.187500 MB of memory in use. ENERGY: 4730200 739.5539 2120.6898 1952.0545 108.5461 -205750.7513 17646.4221 0.0000 0.0000 34410.4195 -148773.0654 300.5148 -183183.4849 -148675.6827 300.8436 -28.9282 -0.9078 559082.0931 16.8006 16.8548 PRESSURE: 4730400 -89.4425 135.396 -9.21386 135.397 -195.032 115.069 -9.21318 115.07 -48.6331 GPRESSURE: 4730400 -65.6659 187.842 -43.2772 62.4876 -126.352 146.473 -9.67835 78.3002 -42.5071 PRESSAVG: 4730400 63.8988 -37.1519 -20.6976 -37.1519 14.1431 30.1457 -20.6977 30.1457 -56.7502 GPRESSAVG: 4730400 61.8668 -38.7312 -22.3518 -37.1716 13.9031 28.1057 -20.7513 28.8507 -54.3461 TIMING: 4730400 CPU: 13694.6, 0.00288391/step Wall: 13694.6, 0.00288391/step, 0.215973 hours remaining, 210.187500 MB of memory in use. ENERGY: 4730400 771.0343 2088.9222 1939.8795 110.6183 -206045.5530 17656.2673 0.0000 0.0000 34348.0813 -149130.7501 299.9703 -183478.8314 -149036.0542 299.7348 -111.0357 -78.1749 559151.1815 7.0972 7.1413 PRESSURE: 4730600 -49.4567 99.0926 -46.9057 99.0924 68.183 -60.8927 -46.9067 -60.8937 -107.655 GPRESSURE: 4730600 5.41912 90.5903 -110.949 107.048 101.178 -90.3406 -49.5721 -78.6835 -105.624 PRESSAVG: 4730600 -24.7358 -11.7453 -4.00212 -11.7453 35.4303 34.0599 -4.00213 34.0599 -15.0298 GPRESSAVG: 4730600 -25.3098 -9.78292 -3.19004 -12.5321 36.5793 33.5147 -3.91001 34.6026 -16.1106 TIMING: 4730600 CPU: 13695.1, 0.00288519/step Wall: 13695.1, 0.00288519/step, 0.215909 hours remaining, 210.187500 MB of memory in use. ENERGY: 4730600 756.9704 2116.7031 1947.6552 126.3843 -206020.6678 17733.8694 0.0000 0.0000 34369.1282 -148969.9573 300.1541 -183339.0855 -148873.5351 300.3280 -29.6429 0.3245 558740.9706 -1.4451 -1.6137 PRESSURE: 4730800 -220.163 -18.6923 -56.8817 -18.6939 256.465 211.425 -56.8823 211.425 -74.2704 GPRESSURE: 4730800 -164.848 17.5374 -90.8744 -30.343 248.725 179.219 16.9277 222.911 -21.7952 PRESSAVG: 4730800 28.8468 -76.1912 -13.5297 -76.1912 14.0273 4.86479 -13.5295 4.8648 -30.5527 GPRESSAVG: 4730800 30.4198 -78.0689 -12.3315 -74.7218 12.1873 4.01459 -12.4912 7.56117 -30.7947 TIMING: 4730800 CPU: 13695.7, 0.00289811/step Wall: 13695.7, 0.00289811/step, 0.216715 hours remaining, 210.187500 MB of memory in use. ENERGY: 4730800 720.1865 2061.1748 1930.2013 111.3457 -205991.1816 17734.3379 0.0000 0.0000 34424.1265 -149009.8090 300.6345 -183433.9355 -148915.6034 299.1865 -12.6559 20.6942 558423.2803 4.1071 3.9375 PRESSURE: 4731000 209.264 13.7653 -75.001 13.7648 119.126 90.4614 -75.0003 90.4615 160.049 GPRESSURE: 4731000 299.538 8.63623 -168.304 32.7677 116.569 150.052 -3.59717 88.238 170.247 PRESSAVG: 4731000 50.158 5.41901 -36.6513 5.41908 -32.6561 37.1992 -36.6513 37.1992 -23.6905 GPRESSAVG: 4731000 49.3842 7.02491 -36.609 5.44435 -31.714 38.8258 -37.8516 34.9916 -24.6309 TIMING: 4731000 CPU: 13696.3, 0.00291068/step Wall: 13696.3, 0.00291068/step, 0.217493 hours remaining, 210.187500 MB of memory in use. ENERGY: 4731000 730.5703 2051.4710 1933.6914 115.6274 -206220.9828 17984.5873 0.0000 0.0000 34201.7627 -149203.2727 298.6925 -183405.0354 -149101.7143 299.1752 162.8131 195.4512 557547.5539 -2.0629 -2.3202 PRESSURE: 4731200 -68.0369 -31.6084 10.7652 -31.6089 -14.5791 -46.2377 10.7652 -46.2396 196.334 GPRESSURE: 4731200 8.91887 -62.7449 39.8334 -33.2081 -58.2563 12.2877 41.9866 -75.4402 253.746 PRESSAVG: 4731200 -41.2159 5.93444 -39.7911 5.93436 52.7335 7.61483 -39.7911 7.61484 -5.73413 GPRESSAVG: 4731200 -41.2609 5.26004 -38.2564 5.64463 52.298 10.2009 -39.162 7.23756 -4.73592 TIMING: 4731200 CPU: 13696.9, 0.00290444/step Wall: 13696.9, 0.00290444/step, 0.216865 hours remaining, 210.187500 MB of memory in use. ENERGY: 4731200 782.0344 2076.6404 1936.7283 105.0074 -206250.7197 17809.3478 0.0000 0.0000 34428.5290 -149112.4324 300.6729 -183540.9615 -149026.3511 299.6023 37.9061 68.1363 556643.9729 1.9278 2.1004 PRESSURE: 4731400 5.36767 41.1442 83.2639 41.1445 18.6981 238.541 83.2641 238.542 -150.65 GPRESSURE: 4731400 34.7142 45.9863 10.5475 99.146 39.5504 186.688 34.5224 304.269 -119.56 PRESSAVG: 4731400 -52.7536 16.9712 -22.1963 16.9712 120.215 21.1811 -22.1963 21.1811 -25.0058 GPRESSAVG: 4731400 -53.3954 16.1017 -22.5819 16.424 120.692 19.8046 -22.6851 21.2263 -24.6681 TIMING: 4731400 CPU: 13697.5, 0.00291569/step Wall: 13697.5, 0.00291569/step, 0.217543 hours remaining, 210.187500 MB of memory in use. ENERGY: 4731400 751.2599 2013.7598 1930.4205 119.8012 -205710.4936 17684.2368 0.0000 0.0000 34261.8160 -148949.1994 299.2170 -183211.0153 -148852.9764 300.2610 -42.1946 -15.0986 557606.1134 14.1518 14.2094 PRESSURE: 4731600 -260.18 55.3178 19.8596 55.3173 87.7738 -110.787 19.8589 -110.787 -391.184 GPRESSURE: 4731600 -262.808 79.33 -71.542 23.5179 131.948 -108.184 -44.2979 -168.664 -345.225 PRESSAVG: 4731600 -22.9306 -58.6654 -14.9193 -58.6654 59.9693 13.8547 -14.9193 13.8548 -65.7348 GPRESSAVG: 4731600 -21.727 -57.9338 -15.7592 -59.3213 59.8151 13.9828 -15.269 12.5702 -66.1317 TIMING: 4731600 CPU: 13698, 0.00294608/step Wall: 13698, 0.00294608/step, 0.219647 hours remaining, 210.187500 MB of memory in use. ENERGY: 4731600 691.4874 2073.3940 1942.5959 113.1896 -205651.9814 17491.4772 0.0000 0.0000 34437.5012 -148902.3360 300.7513 -183339.8372 -148805.7850 299.8555 -187.8634 -158.6950 560108.5564 -9.5654 -9.3478 PRESSURE: 4731800 -63.7671 55.5719 67.3557 55.5717 124.975 -103.412 67.3545 -103.413 117.276 GPRESSURE: 4731800 -2.55426 59.8963 20.9883 52.0126 154.284 -138.464 65.5319 -47.6376 138.158 PRESSAVG: 4731800 83.5403 -38.9318 50.8535 -38.9318 33.245 -56.4061 50.8534 -56.4062 -62.5489 GPRESSAVG: 4731800 83.9888 -36.9435 51.1325 -39.6602 32.5042 -58.6483 49.3632 -54.9944 -62.541 TIMING: 4731800 CPU: 13698.6, 0.00291841/step Wall: 13698.6, 0.00291841/step, 0.217422 hours remaining, 210.187500 MB of memory in use. ENERGY: 4731800 712.0457 2111.9295 1921.6134 103.9783 -205851.4075 17689.2987 0.0000 0.0000 34278.7892 -149033.7528 299.3652 -183312.5420 -148938.9063 299.8373 59.4946 96.6290 558735.5622 18.0788 17.9840 PRESSURE: 4732000 -328.51 -77.8582 -170.271 -77.8583 -127.108 -106.612 -170.272 -106.611 -326.398 GPRESSURE: 4732000 -231.497 -2.42417 -190.984 -173.596 -133.045 -100.261 -118.031 -74.6584 -317.319 PRESSAVG: 4732000 3.55844 -19.0789 66.97 -19.0789 15.2634 -13.7593 66.9702 -13.7592 -5.51302 GPRESSAVG: 4732000 3.10891 -21.2729 64.9118 -18.9548 16.209 -12.6984 70.0021 -17.5474 -6.15184 TIMING: 4732000 CPU: 13699.2, 0.0029234/step Wall: 13699.2, 0.0029234/step, 0.217631 hours remaining, 210.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4732000 727.9154 2072.3434 1950.1238 111.7827 -205525.6883 17439.6798 0.0000 0.0000 34193.0247 -149030.8185 298.6162 -183223.8432 -148927.8860 299.8168 -260.6720 -227.2869 559014.1963 4.4363 4.3887 PRESSURE: 4732200 -68.0451 67.3086 -129.256 67.3078 -30.6165 112.432 -129.257 112.431 -19.0996 GPRESSURE: 4732200 -69.1436 69.4268 -54.2047 44.7282 5.12458 68.2632 -114.595 186.257 32.1879 PRESSAVG: 4732200 -34.6945 20.2769 76.3258 20.277 -1.22799 23.4623 76.3257 23.4623 56.0841 GPRESSAVG: 4732200 -33.8704 20.3915 76.5096 20.5417 -2.84504 25.221 74.8013 26.954 56.3676 TIMING: 4732200 CPU: 13699.8, 0.00293446/step Wall: 13699.8, 0.00293446/step, 0.218291 hours remaining, 210.187500 MB of memory in use. ENERGY: 4732200 740.7132 2085.0071 1965.9059 108.0077 -205696.4858 17580.4627 0.0000 0.0000 34259.0396 -148957.3495 299.1927 -183216.3891 -148863.7502 299.1220 -39.2537 -10.6104 558802.9277 6.7205 6.5507 LDB: ============= START OF LOAD BALANCING ============== 13703.2 LDB: ============== END OF LOAD BALANCING =============== 13703.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13703.2 LDB: ============= START OF LOAD BALANCING ============== 13703.5 LDB: Largest compute 4800 load 0.026361 is 22.3% of average load 0.118034 LDB: Average compute 0.001734 is 1.5% of average load 0.118034 LDB: TIME 13703.5 LOAD: AVG 0.118034 MAX 0.178125 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.188 MB LDB: TIME 13703.5 LOAD: AVG 0.118034 MAX 0.178125 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.43 MB LDB: TIME 13703.5 LOAD: AVG 0.118034 MAX 0.178125 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.43 MB LDB: ============== END OF LOAD BALANCING =============== 13703.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13703.5 PRESSURE: 4732400 73.0626 55.1948 134.673 55.1946 50.267 119.106 134.672 119.105 -58.3743 GPRESSURE: 4732400 137.155 -13.9534 139.718 20.9016 34.6556 52.958 126.761 102.046 -11.065 PRESSAVG: 4732400 -33.4514 5.32021 13.1021 5.32014 10.4001 -18.2111 13.102 -18.211 54.7101 GPRESSAVG: 4732400 -33.7492 1.93783 14.9756 6.0561 11.5761 -19.0691 12.9842 -19.0898 54.4683 TIMING: 4732400 CPU: 13700.4, 0.00295825/step Wall: 13700.4, 0.00295825/step, 0.219897 hours remaining, 212.625000 MB of memory in use. ENERGY: 4732400 718.8824 2098.7366 1960.1206 118.6239 -206133.1049 17753.5561 0.0000 0.0000 34408.5138 -149074.6716 300.4981 -183483.1854 -148978.3868 298.9565 21.6518 53.5820 558398.5350 10.5529 10.7651 PRESSURE: 4732600 -179.227 48.3244 120.12 48.3241 -93.1588 -246.114 120.12 -246.114 11.6625 GPRESSURE: 4732600 -143.655 60.6579 136.751 59.0331 -36.5757 -227.185 77.9524 -188.03 34.0881 PRESSAVG: 4732600 -70.3476 4.50592 10.3002 4.50592 -30.5749 8.35466 10.3001 8.35468 76.4034 GPRESSAVG: 4732600 -70.5707 7.377 8.20545 3.10932 -31.2115 8.72482 9.27428 9.97673 76.7257 TIMING: 4732600 CPU: 13701, 0.00292137/step Wall: 13701, 0.00292137/step, 0.216993 hours remaining, 212.695312 MB of memory in use. ENERGY: 4732600 759.9590 2097.7232 1906.8342 109.6144 -205901.7098 17659.6278 0.0000 0.0000 34209.0805 -149158.8707 298.7564 -183367.9512 -149062.2458 299.7873 -86.9076 -48.7141 558653.4546 -8.1730 -8.3522 PRESSURE: 4732800 75.7249 4.18156 -78.7821 4.18314 -131.084 -37.2632 -78.7806 -37.2623 -118.565 GPRESSURE: 4732800 110.628 11.177 -87.129 93.9002 -136.123 -114.312 -127.979 22.8486 -44.1854 PRESSAVG: 4732800 -43.7826 -50.3976 25.7876 -50.3976 14.8704 -20.2199 25.7876 -20.2199 16.472 GPRESSAVG: 4732800 -43.2536 -51.4072 27.0668 -48.6389 15.8411 -20.6052 25.6163 -20.3069 15.2891 TIMING: 4732800 CPU: 13701.6, 0.00292091/step Wall: 13701.6, 0.00292091/step, 0.216796 hours remaining, 212.695312 MB of memory in use. ENERGY: 4732800 722.5829 2146.3574 1940.1026 112.7342 -206046.4876 17804.0119 0.0000 0.0000 34233.0451 -149087.6535 298.9657 -183320.6986 -148988.6832 299.9269 -57.9745 -23.2270 558442.0387 -4.1468 -4.0412 PRESSURE: 4733000 -180.106 -128.946 -98.8123 -128.947 16.6561 122.133 -98.8129 122.132 89.6609 GPRESSURE: 4733000 -104.114 -152.03 -30.301 -166.837 51.4409 107.511 -96.2541 129.102 69.9618 PRESSAVG: 4733000 -14.4174 -1.33064 -28.8582 -1.33056 -5.88877 20.4631 -28.8582 20.4632 -30.6913 GPRESSAVG: 4733000 -14.7909 0.500852 -29.2314 -1.9198 -6.4827 19.965 -27.6181 20.1584 -30.0013 TIMING: 4733000 CPU: 13702.1, 0.00290545/step Wall: 13702.1, 0.00290545/step, 0.215488 hours remaining, 212.695312 MB of memory in use. ENERGY: 4733000 767.8013 2113.9614 1968.1286 114.5674 -206701.1226 18044.9541 0.0000 0.0000 34507.5819 -149184.1279 301.3633 -183691.7099 -149083.8885 300.1032 -24.5964 5.7628 557744.9550 -16.9991 -17.0916 PRESSURE: 4733200 -93.448 -186.031 -175.471 -186.03 -10.9313 -39.0075 -175.472 -39.0076 -65.1352 GPRESSURE: 4733200 -42.9449 -100.179 -104.013 -150.89 46.836 -86.669 -143.923 -40.7134 -56.9617 PRESSAVG: 4733200 5.06149 -46.2512 -46.9723 -46.2513 38.6122 33.9759 -46.9722 33.976 8.60136 GPRESSAVG: 4733200 4.30716 -47.6842 -47.0475 -44.3193 39.1276 33.7821 -47.1261 33.5593 9.01634 TIMING: 4733200 CPU: 13702.7, 0.0028916/step Wall: 13702.7, 0.0028916/step, 0.214299 hours remaining, 212.695312 MB of memory in use. ENERGY: 4733200 735.8504 2119.9116 1938.9234 114.7539 -206434.2991 17852.5681 0.0000 0.0000 34392.8573 -149279.4344 300.3614 -183672.2917 -149183.5794 299.8417 -56.5048 -17.6902 557470.7410 17.4250 17.4837 PRESSURE: 4733400 74.685 16.2806 -42.077 16.2804 -240.768 -101.703 -42.0766 -101.703 201.272 GPRESSURE: 4733400 103.992 4.02241 -99.2344 -17.8942 -221.394 -63.5024 -33.4392 -121.915 248.472 PRESSAVG: 4733400 -25.389 -44.7751 34.7534 -44.7751 -48.4497 22.6354 34.7534 22.6354 55.306 GPRESSAVG: 4733400 -24.7551 -42.9242 33.8053 -47.5781 -49.1698 23.0931 36.6816 23.6775 55.53 TIMING: 4733400 CPU: 13703.3, 0.00292312/step Wall: 13703.3, 0.00292312/step, 0.216473 hours remaining, 212.695312 MB of memory in use. ENERGY: 4733400 759.0632 2031.9835 1920.3460 129.0911 -205968.5918 17655.5517 0.0000 0.0000 34165.1867 -149307.3697 298.3731 -183472.5564 -149207.5670 299.5140 11.7295 43.6901 558501.3661 -6.1776 -6.1316 PRESSURE: 4733600 -403.432 9.92204 51.1974 9.92179 -253.474 -16.3805 51.1984 -16.3795 -533.604 GPRESSURE: 4733600 -334.428 9.67913 92.3694 -103.509 -239.639 -42.4922 76.7322 -75.2765 -514.261 PRESSAVG: 4733600 49.4254 13.9361 7.07424 13.936 -55.9034 0.663796 7.07409 0.664003 26.8777 GPRESSAVG: 4733600 49.3443 13.7071 6.39147 13.2678 -56.1048 0.548093 5.47113 0.957806 27.1063 TIMING: 4733600 CPU: 13703.9, 0.00290383/step Wall: 13703.9, 0.00290383/step, 0.214883 hours remaining, 212.695312 MB of memory in use. ENERGY: 4733600 772.8207 2114.2372 1916.7736 105.2847 -205750.5903 17350.1448 0.0000 0.0000 34235.3820 -149255.9473 298.9861 -183491.3293 -149157.7332 299.0601 -396.8367 -362.7762 558985.6220 6.7999 6.7819 PRESSURE: 4733800 219.651 -114.197 215.564 -114.197 277.488 -80.4877 215.564 -80.4866 62.174 GPRESSURE: 4733800 231.349 -196.403 146.532 0.956342 297.109 -9.26471 261.824 -45.9411 123.59 PRESSAVG: 4733800 -10.6856 45.985 33.9039 45.985 0.69395 -55.2732 33.904 -55.2732 -45.3734 GPRESSAVG: 4733800 -10.8561 46.4439 34.9711 47.2724 -0.0938002 -54.7039 33.9501 -56.8942 -45.0385 TIMING: 4733800 CPU: 13704.5, 0.00289969/step Wall: 13704.5, 0.00289969/step, 0.214416 hours remaining, 212.695312 MB of memory in use. ENERGY: 4733800 721.7937 2057.2350 1928.6229 121.8638 -206654.9226 18200.2757 0.0000 0.0000 34361.1168 -149264.0149 300.0842 -183625.1317 -149158.3747 299.3804 186.4377 217.3495 556828.2239 -18.4550 -18.6628 PRESSURE: 4734000 98.3305 -12.7936 -76.6305 -12.793 -34.9519 -71.8149 -76.6316 -71.8162 -41.307 GPRESSURE: 4734000 107.507 71.0796 -129.398 -39.4851 58.3782 -76.383 -46.9767 -33.3587 -52.8139 PRESSAVG: 4734000 -8.11905 4.19838 5.22975 4.19842 39.717 -18.9653 5.22968 -18.9655 -52.1984 GPRESSAVG: 4734000 -8.80618 3.36439 4.46515 3.97854 41.6535 -20.6419 4.86942 -16.4146 -53.6198 TIMING: 4734000 CPU: 13705, 0.00291342/step Wall: 13705, 0.00291342/step, 0.215269 hours remaining, 212.695312 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: 4734000 728.1631 2088.9018 1951.4345 119.3952 -206168.3719 17739.8791 0.0000 0.0000 34318.4870 -149222.1113 299.7119 -183540.5983 -149135.5337 299.7437 7.3572 37.6906 558502.7698 -6.8668 -6.9242 PRESSURE: 4734200 95.4247 -8.13194 -92.0124 -8.131 -228.755 24.5587 -92.0104 24.5582 243.007 GPRESSURE: 4734200 154.347 -69.5769 -78.4463 120.665 -192.476 -14.1254 -99.7334 45.0554 238.265 PRESSAVG: 4734200 58.1503 -15.3597 -43.4975 -15.3598 -28.7533 2.2268 -43.4975 2.22678 40.9705 GPRESSAVG: 4734200 58.3106 -14.5707 -41.4314 -16.669 -29.5809 2.97613 -42.5543 1.02699 41.394 TIMING: 4734200 CPU: 13705.6, 0.00289838/step Wall: 13705.6, 0.00289838/step, 0.213997 hours remaining, 212.695312 MB of memory in use. ENERGY: 4734200 692.7390 2078.0656 1942.3007 125.1793 -206043.6596 17654.7604 0.0000 0.0000 34326.1150 -149224.4996 299.7785 -183550.6146 -149136.7900 299.4902 36.5590 66.7120 557336.5480 23.4558 23.3746 PRESSURE: 4734400 -186.852 121.754 -21.6489 121.755 87.2826 197.07 -21.649 197.068 -294.9 GPRESSURE: 4734400 -191.697 96.2225 61.6328 145.987 92.4676 183.03 -14.153 124.44 -210.534 PRESSAVG: 4734400 74.0272 17.4869 -32.1907 17.4869 -8.30681 -11.8395 -32.1906 -11.8397 -48.6465 GPRESSAVG: 4734400 74.7114 16.9103 -31.2795 18.1363 -8.97185 -12.5773 -34.4016 -12.341 -49.1516 TIMING: 4734400 CPU: 13706.2, 0.00291281/step Wall: 13706.2, 0.00291281/step, 0.214901 hours remaining, 212.695312 MB of memory in use. ENERGY: 4734400 723.1250 2136.0378 1929.8787 103.3347 -205897.6080 17560.8743 0.0000 0.0000 34184.3275 -149260.0300 298.5402 -183444.3574 -149165.8625 299.2412 -131.4896 -103.2546 557970.5440 5.6913 5.5293 PRESSURE: 4734600 46.8704 -129.958 -156.857 -129.958 -7.99161 -92.554 -156.857 -92.5541 75.9019 GPRESSURE: 4734600 111.25 -119.806 -154.763 -122.863 -30.1677 -180.439 -74.8114 -93.1563 132.834 PRESSAVG: 4734600 -25.5621 -39.0719 -10.5532 -39.0719 13.6404 -36.9595 -10.5532 -36.9594 26.9454 GPRESSAVG: 4734600 -26.749 -37.8137 -13.5338 -39.4059 14.0733 -36.3242 -8.78578 -36.2503 28.2908 TIMING: 4734600 CPU: 13706.8, 0.0028808/step Wall: 13706.8, 0.0028808/step, 0.212379 hours remaining, 212.695312 MB of memory in use. ENERGY: 4734600 726.3918 2069.5404 1957.2917 106.2070 -206433.0692 18026.9458 0.0000 0.0000 34130.6679 -149416.0246 298.0716 -183546.6925 -149319.7341 298.8627 38.2602 71.3055 557290.7869 5.0079 5.2050 PRESSURE: 4734800 6.44255 -19.2616 -36.0056 -19.2621 6.31669 -19.8234 -36.0048 -19.8219 82.2952 GPRESSURE: 4734800 90.7055 -34.5557 -77.0045 -48.4148 63.1901 -85.9833 -45.3002 -24.3358 32.8845 PRESSAVG: 4734800 -56.5842 -38.9215 1.05533 -38.9214 18.1708 -40.2008 1.05549 -40.2007 34.986 GPRESSAVG: 4734800 -55.7929 -39.0468 2.4069 -38.7243 18.4529 -40.9372 0.384754 -40.8856 33.3553 TIMING: 4734800 CPU: 13707.4, 0.00288895/step Wall: 13707.4, 0.00288895/step, 0.212819 hours remaining, 212.695312 MB of memory in use. ENERGY: 4734800 732.8958 2046.3175 1957.8958 111.1974 -206390.0899 17906.1793 0.0000 0.0000 34303.8014 -149331.8027 299.5836 -183635.6041 -149227.4483 299.1095 31.6848 62.2600 558191.3969 -1.1425 -1.3282 PRESSURE: 4735000 102.082 -39.6358 -160.623 -39.6354 -202.394 -29.1003 -160.622 -29.1001 -2.12332 GPRESSURE: 4735000 116.257 -84.7421 -176.61 -75.4701 -165.579 -23.0248 -120.543 -48.7131 26.8313 PRESSAVG: 4735000 -13.3528 -45.037 -31.2951 -45.037 7.60757 -13.5366 -31.2951 -13.5365 13.5075 GPRESSAVG: 4735000 -13.2154 -45.744 -31.8952 -43.8659 8.24093 -13.9888 -29.625 -13.8913 12.6873 TIMING: 4735000 CPU: 13707.9, 0.00291125/step Wall: 13707.9, 0.00291125/step, 0.2143 hours remaining, 212.695312 MB of memory in use. ENERGY: 4735000 673.6157 2117.8859 1929.9167 106.8179 -206135.3179 17643.1634 0.0000 0.0000 34326.5142 -149337.4041 299.7820 -183663.9184 -149238.3358 299.3466 -34.1453 -7.4970 558027.0666 2.5874 2.5709 PRESSURE: 4735200 -24.4863 -73.1609 -6.99331 -73.1612 -201.88 -57.1252 -6.99327 -57.1236 54.411 GPRESSURE: 4735200 -18.2891 -32.1297 28.9514 -85.965 -140.337 -75.0249 2.94616 -19.755 88.2146 PRESSAVG: 4735200 -9.94223 -1.80373 -26.8503 -1.80382 -46.5031 53.6682 -26.8504 53.6683 78.9241 GPRESSAVG: 4735200 -10.1347 -3.68531 -28.2977 -2.14311 -46.818 55.5416 -27.27 52.8512 79.7372 TIMING: 4735200 CPU: 13708.5, 0.00288987/step Wall: 13708.5, 0.00288987/step, 0.212566 hours remaining, 212.695312 MB of memory in use. ENERGY: 4735200 756.3792 2141.6602 1942.5031 108.2455 -206305.8638 17854.9580 0.0000 0.0000 34408.4502 -149093.6677 300.4976 -183502.1179 -148995.1679 299.0926 -57.3183 -23.4704 559375.7726 7.4929 7.5949 PRESSURE: 4735400 5.16058 -53.3844 -72.3718 -53.3842 50.2363 -54.0308 -72.3722 -54.0312 -54.3607 GPRESSURE: 4735400 49.6737 -91.704 -70.6188 -12.0952 61.3138 9.02741 -78.2549 -5.48407 -13.0334 PRESSAVG: 4735400 -2.78877 -22.274 -70.4836 -22.274 -26.7991 -13.2263 -70.4837 -13.2263 25.1746 GPRESSAVG: 4735400 -3.64923 -21.3614 -69.7361 -20.9619 -27.0508 -13.3664 -70.2801 -11.4837 26.5712 TIMING: 4735400 CPU: 13709.1, 0.00287923/step Wall: 13709.1, 0.00287923/step, 0.211623 hours remaining, 212.695312 MB of memory in use. ENERGY: 4735400 772.5926 2008.1859 1953.0191 102.8713 -206158.6175 17895.8061 0.0000 0.0000 34286.5818 -149139.5607 299.4332 -183426.1425 -149043.3707 298.9240 0.3454 32.6514 559712.3901 -1.4711 -1.3763 PRESSURE: 4735600 -98.4722 -148.093 -39.5238 -148.092 -208.885 17.6219 -39.5239 17.6229 -48.2809 GPRESSURE: 4735600 -92.3791 -115.627 59.7686 -254.914 -162.899 79.0872 -85.0066 47.1564 -13.4906 PRESSAVG: 4735600 16.4094 -44.4514 -32.3009 -44.4514 12.7811 16.9544 -32.3009 16.9546 25.757 GPRESSAVG: 4735600 16.1359 -45.9713 -31.579 -43.7566 12.66 18.094 -31.8628 16.1297 25.5965 TIMING: 4735600 CPU: 13709.7, 0.00287958/step Wall: 13709.7, 0.00287958/step, 0.211489 hours remaining, 212.695312 MB of memory in use. ENERGY: 4735600 716.6456 2091.9369 1909.7562 105.7544 -205953.7332 17704.4447 0.0000 0.0000 34442.5787 -148982.6167 300.7956 -183425.1954 -148885.8397 299.7361 -118.5460 -89.5897 559697.5457 18.3158 18.1308 PRESSURE: 4735800 -206.345 -159.303 68.9866 -159.303 21.1468 41.7543 68.9865 41.7539 -42.7446 GPRESSURE: 4735800 -79.084 -149.599 133.585 -169.773 -23.951 24.3706 89.5427 143.975 -35.9678 PRESSAVG: 4735800 -59.471 -10.974 -3.16015 -10.974 5.85243 22.0429 -3.16014 22.0429 29.8613 GPRESSAVG: 4735800 -59.2024 -9.11707 -3.16438 -12.4048 5.94711 20.8122 -3.95385 22.5309 29.2997 TIMING: 4735800 CPU: 13710.3, 0.00288262/step Wall: 13710.3, 0.00288262/step, 0.211552 hours remaining, 212.695312 MB of memory in use. ENERGY: 4735800 758.0681 2058.9792 1915.5230 94.9704 -206100.9217 17825.3165 0.0000 0.0000 34336.1396 -149111.9249 299.8660 -183448.0645 -149020.9504 299.6854 -75.9808 -46.3342 558375.6718 -7.9191 -7.9852 PRESSURE: 4736000 167.902 -221.962 141.537 -221.962 215.818 53.8115 141.537 53.8123 92.8291 GPRESSURE: 4736000 156.667 -214.704 180.672 -208.08 247.908 -6.66264 39.402 105.159 166.684 PRESSAVG: 4736000 -7.20366 33.1604 -15.0937 33.1604 -30.2328 26.6559 -15.0936 26.6558 20.6329 GPRESSAVG: 4736000 -7.36537 33.9245 -15.818 32.7963 -29.6966 28.3612 -14.6572 26.1258 20.0782 TIMING: 4736000 CPU: 13710.8, 0.00287326/step Wall: 13710.8, 0.00287326/step, 0.210706 hours remaining, 212.695312 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: 4736000 743.4926 2083.3501 1959.4487 110.5999 -206404.7844 18038.9269 0.0000 0.0000 34323.7021 -149145.2642 299.7574 -183468.9663 -149045.6643 300.1599 158.8496 190.4197 556201.1749 -5.6012 -5.6613 PRESSURE: 4736200 -162.788 -3.10894 38.8153 -3.10811 -7.60156 -76.498 38.8151 -76.4988 34.3154 GPRESSURE: 4736200 -64.5522 -74.627 37.8914 47.9522 -2.19124 -128.155 5.76634 -52.3381 19.6227 PRESSAVG: 4736200 8.39739 -22.2646 38.7542 -22.2646 -31.6304 -6.864 38.7543 -6.86409 44.6684 GPRESSAVG: 4736200 8.39736 -21.1959 40.5484 -23.5797 -31.6108 -7.72537 36.906 -8.07265 44.5577 TIMING: 4736200 CPU: 13711.4, 0.00289297/step Wall: 13711.4, 0.00289297/step, 0.21199 hours remaining, 212.695312 MB of memory in use. ENERGY: 4736200 741.0022 2125.5989 1946.0145 110.2265 -206358.5289 17888.1223 0.0000 0.0000 34260.8769 -149286.6876 299.2088 -183547.5645 -149188.4797 299.4591 -45.3579 -15.7069 556377.8362 7.1451 7.1148 LDB: ============= START OF LOAD BALANCING ============== 13714.8 LDB: ============== END OF LOAD BALANCING =============== 13714.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13714.8 LDB: ============= START OF LOAD BALANCING ============== 13715.1 LDB: Largest compute 4773 load 0.026684 is 22.6% of average load 0.117953 LDB: Average compute 0.001738 is 1.5% of average load 0.117953 LDB: TIME 13715.1 LOAD: AVG 0.117953 MAX 0.17987 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.883 MB LDB: TIME 13715.1 LOAD: AVG 0.117953 MAX 0.17987 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.953 MB LDB: TIME 13715.1 LOAD: AVG 0.117953 MAX 0.17987 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.953 MB LDB: ============== END OF LOAD BALANCING =============== 13715.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13715.1 PRESSURE: 4736400 -42.6432 40.0983 -154.341 40.0987 -155.093 -33.7723 -154.341 -33.7719 18.6263 GPRESSURE: 4736400 -21.3854 91.2429 -136.369 -0.0628307 -119.765 -80.599 -169.889 -141.992 58.8196 PRESSAVG: 4736400 -5.39217 -24.1788 53.914 -24.1788 23.1379 -19.1039 53.914 -19.1038 -3.5544 GPRESSAVG: 4736400 -6.39522 -27.5425 50.9612 -24.2278 23.8822 -19.2717 54.3975 -17.7665 -3.08089 TIMING: 4736400 CPU: 13712, 0.00294836/step Wall: 13712, 0.00294836/step, 0.215885 hours remaining, 210.167969 MB of memory in use. ENERGY: 4736400 730.4058 2118.1991 1948.2047 107.2245 -206535.3592 17764.0789 0.0000 0.0000 34275.8077 -149591.4385 299.3392 -183867.2462 -149494.3097 299.0634 -59.7033 -27.4436 557495.1193 4.7304 4.8020 PRESSURE: 4736600 69.7883 55.2563 -54.4477 55.2567 -258.632 -18.5292 -54.4468 -18.5275 -155.427 GPRESSURE: 4736600 104.36 72.6781 -62.8909 -47.0545 -221.166 -5.38096 -52.8199 -37.3403 -122.487 PRESSAVG: 4736600 23.2744 -62.2211 10.1114 -62.221 24.5958 -1.65637 10.1114 -1.65634 -48.6222 GPRESSAVG: 4736600 23.6516 -59.5515 10.0264 -62.8853 25.1569 -0.782308 10.3265 -2.0042 -49.9394 TIMING: 4736600 CPU: 13712.6, 0.00288593/step Wall: 13712.6, 0.00288593/step, 0.211154 hours remaining, 210.167969 MB of memory in use. ENERGY: 4736600 710.2853 2052.4743 1936.5422 110.4431 -206259.6719 17722.1623 0.0000 0.0000 34227.0326 -149500.7321 298.9132 -183727.7647 -149402.1740 298.2186 -114.7568 -79.7644 557723.7309 -0.2507 -0.3770 PRESSURE: 4736800 -68.1481 123.753 5.8841 123.754 -43.1579 -88.8464 5.88525 -88.8456 -160.692 GPRESSURE: 4736800 -28.7424 196.83 -21.1639 124.319 9.76912 -35.9632 47.3471 -131.932 -150.321 PRESSAVG: 4736800 42.5578 3.32904 54.4376 3.32897 1.76854 -60.3716 54.4376 -60.3715 -20.4446 GPRESSAVG: 4736800 43.99 3.70261 52.919 3.94394 0.475972 -60.669 56.4919 -58.7719 -20.1995 TIMING: 4736800 CPU: 13713.2, 0.00292233/step Wall: 13713.2, 0.00292233/step, 0.213655 hours remaining, 210.167969 MB of memory in use. ENERGY: 4736800 749.6409 2070.4889 1977.9803 103.0870 -206154.7855 17683.2547 0.0000 0.0000 34269.5189 -149300.8147 299.2842 -183570.3336 -149193.5770 298.9799 -90.6661 -56.4314 558225.1181 7.9606 8.0888 PRESSURE: 4737000 -130.49 83.666 -52.7438 83.6655 20.4975 -28.5619 -52.7426 -28.5603 134.915 GPRESSURE: 4737000 -96.1682 65.4647 -45.1398 75.2352 26.8198 -76.1978 -48.0855 -48.7046 186.736 PRESSAVG: 4737000 43.4014 68.2644 4.02606 68.2644 -1.85958 -39.3914 4.02608 -39.3914 -73.6211 GPRESSAVG: 4737000 42.1957 68.7296 6.34921 68.167 -0.597987 -39.6047 3.65139 -38.5745 -73.5753 TIMING: 4737000 CPU: 13713.7, 0.00289608/step Wall: 13713.7, 0.00289608/step, 0.211575 hours remaining, 210.167969 MB of memory in use. ENERGY: 4737000 759.4445 2042.3249 1932.1176 110.3408 -206429.8888 17990.5732 0.0000 0.0000 34206.6067 -149388.4813 298.7348 -183595.0880 -149300.4188 298.8202 8.3076 39.1291 558188.4851 -10.6931 -10.6592 PRESSURE: 4737200 -64.1813 -140.974 -22.7081 -140.976 -230.275 27.187 -22.7095 27.1877 -55.4681 GPRESSURE: 4737200 -22.7547 -147.948 10.7251 -101.263 -216.732 -6.12838 -61.2961 34.8045 -19.7535 PRESSAVG: 4737200 -3.97915 13.1857 58.7909 13.1856 1.9077 -15.6829 58.7909 -15.6829 -2.9374 GPRESSAVG: 4737200 -2.94521 13.0046 58.6219 13.6659 -0.27419 -16.1234 58.0564 -17.0782 -1.69823 TIMING: 4737200 CPU: 13714.3, 0.00288995/step Wall: 13714.3, 0.00288995/step, 0.210967 hours remaining, 210.167969 MB of memory in use. ENERGY: 4737200 794.0479 1987.8111 1945.3076 115.2547 -206164.9709 17757.9164 0.0000 0.0000 34250.3414 -149314.2917 299.1168 -183564.6332 -149223.9830 298.8240 -116.6413 -86.4134 555695.3601 -1.6696 -1.6392 PRESSURE: 4737400 205.944 -33.0544 -133.823 -33.0545 -85.963 77.1272 -133.824 77.1271 -322.227 GPRESSURE: 4737400 253.128 -22.8682 -119.365 -35.6566 -32.2811 70.3284 -154.195 64.1138 -344.788 PRESSAVG: 4737400 -19.675 -8.1565 23.5077 -8.15646 9.29175 36.622 23.5078 36.6221 -7.71159 GPRESSAVG: 4737400 -20.2756 -9.74538 23.8486 -6.84157 10.503 38.1656 22.8315 36.5574 -8.21308 TIMING: 4737400 CPU: 13714.9, 0.00286531/step Wall: 13714.9, 0.00286531/step, 0.209009 hours remaining, 210.167969 MB of memory in use. ENERGY: 4737400 769.7658 2073.5854 1927.1164 111.8394 -206208.7450 17641.4483 0.0000 0.0000 34420.2213 -149264.7684 300.6004 -183684.9897 -149162.5301 299.3051 -67.4153 -41.3138 557422.7653 -6.0316 -5.9952 PRESSURE: 4737600 -115.766 107.049 -11.1079 107.05 214.274 46.5324 -11.1059 46.5322 -52.1516 GPRESSURE: 4737600 -51.56 169.577 -12.9977 52.8062 238.231 81.5634 33.4636 56.9427 -32.754 PRESSAVG: 4737600 20.7007 18.8177 41.9241 18.8178 68.6443 -7.19802 41.924 -7.198 -38.1304 GPRESSAVG: 4737600 21.2609 18.3621 43.6421 17.5872 69.8415 -8.02198 40.5959 -6.65598 -39.2122 TIMING: 4737600 CPU: 13715.5, 0.00290485/step Wall: 13715.5, 0.00290485/step, 0.211731 hours remaining, 210.167969 MB of memory in use. ENERGY: 4737600 756.7425 2023.3255 1978.4202 120.2083 -206482.9821 18037.5735 0.0000 0.0000 34225.5831 -149341.1289 298.9005 -183566.7120 -149244.1168 298.6839 15.4522 51.3056 558430.2950 17.0715 17.2968 PRESSURE: 4737800 123.633 110.867 -23.9927 110.867 52.84 -9.99692 -23.9934 -9.99725 160.263 GPRESSURE: 4737800 150.267 184.392 -96.4623 119.686 124.737 7.07232 -5.15264 -29.7833 163.124 PRESSAVG: 4737800 -34.3085 67.0228 27.5022 67.0228 5.2276 31.2739 27.502 31.2739 18.0149 GPRESSAVG: 4737800 -33.6374 64.6446 24.4992 69.1928 3.23873 32.6188 28.5802 30.88 19.5012 TIMING: 4737800 CPU: 13716, 0.00288348/step Wall: 13716, 0.00288348/step, 0.210013 hours remaining, 210.167969 MB of memory in use. ENERGY: 4737800 735.2057 2072.1925 1951.9683 105.5577 -206055.7131 17898.1584 0.0000 0.0000 34057.2810 -149235.3495 297.4307 -183292.6305 -149135.5400 298.3881 112.2454 146.0428 557196.9247 -3.6887 -3.6325 PRESSURE: 4738000 40.3056 -96.9234 -74.1462 -96.9226 40.3801 28.9461 -74.1464 28.9473 66.1453 GPRESSURE: 4738000 112.452 -49.4049 -66.9305 -57.9326 -1.58744 72.782 -40.1387 -28.5184 147.966 PRESSAVG: 4738000 24.2872 47.2597 -26.9842 47.2596 -43.9392 24.9404 -26.984 24.9403 28.4046 GPRESSAVG: 4738000 23.4893 49.4905 -28.3454 45.9469 -43.6873 23.6055 -25.3727 25.1233 29.3979 TIMING: 4738000 CPU: 13716.6, 0.00290894/step Wall: 13716.6, 0.00290894/step, 0.211706 hours remaining, 210.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4738000 725.2143 2091.9857 1948.2337 110.4055 -206065.9274 17858.4257 0.0000 0.0000 34229.5150 -149102.1476 298.9349 -183331.6626 -149012.9758 299.2733 48.9437 86.2767 558128.6438 2.9175 3.0666 PRESSURE: 4738200 -330.128 40.1376 18.7471 40.1384 -203.576 58.6993 18.7472 58.698 -525.594 GPRESSURE: 4738200 -325.957 42.4992 87.0265 73.9643 -136.353 54.737 12.0021 82.6564 -503.591 PRESSAVG: 4738200 31.3882 77.1512 4.08887 77.1512 -27.8434 3.07547 4.08884 3.07545 -20.1208 GPRESSAVG: 4738200 30.3922 78.8433 6.48514 78.7833 -26.7473 3.47519 2.70096 2.97121 -20.138 TIMING: 4738200 CPU: 13717.2, 0.00289429/step Wall: 13717.2, 0.00289429/step, 0.210479 hours remaining, 210.167969 MB of memory in use. ENERGY: 4738200 786.8204 2028.9934 1953.7557 122.4329 -205544.8358 17368.7749 0.0000 0.0000 34209.7983 -149074.2603 298.7627 -183284.0586 -148975.4231 299.6897 -353.0993 -321.9671 559126.7973 -5.5253 -5.4977 PRESSURE: 4738400 -150.226 -70.1134 -67.0869 -70.1115 94.2591 50.9861 -67.0881 50.986 -133.288 GPRESSURE: 4738400 -130.017 -91.8856 -122.097 19.9639 124.555 39.4964 14.3255 31.9912 -82.8088 PRESSAVG: 4738400 -1.75327 12.6133 -15.8551 12.6132 34.9579 -26.22 -15.8551 -26.22 -34.8615 GPRESSAVG: 4738400 -0.829118 13.9479 -16.4885 10.168 33.8209 -23.3455 -14.7022 -26.4269 -34.7567 TIMING: 4738400 CPU: 13717.8, 0.00287981/step Wall: 13717.8, 0.00287981/step, 0.209266 hours remaining, 210.167969 MB of memory in use. ENERGY: 4738400 737.9555 2009.5704 1947.9838 122.7012 -206172.2977 17800.0271 0.0000 0.0000 34647.9138 -148906.1459 302.5888 -183554.0597 -148813.6873 300.8876 -63.0850 -29.4235 558511.7581 -0.5523 -0.5883 PRESSURE: 4738600 -287.571 23.5443 -94.3729 23.5436 -155.082 60.8699 -94.3729 60.8682 -212.922 GPRESSURE: 4738600 -284.753 58.0172 -55.4958 80.8853 -87.9672 116.577 -25.3584 63.2089 -184.688 PRESSAVG: 4738600 32.9425 -51.6667 0.688708 -51.6666 30.279 17.9812 0.688671 17.981 -18.2105 GPRESSAVG: 4738600 33.5715 -53.6903 0.88604 -49.7359 30.7105 16.1992 -1.03042 17.7916 -18.9235 TIMING: 4738600 CPU: 13718.4, 0.00287182/step Wall: 13718.4, 0.00287181/step, 0.208526 hours remaining, 210.167969 MB of memory in use. ENERGY: 4738600 749.4712 2036.4621 1925.8507 128.6113 -205704.0945 17483.5742 0.0000 0.0000 34347.9255 -149032.1995 299.9690 -183380.1250 -148932.1938 300.1279 -218.5250 -185.8028 559942.1097 15.0037 15.1195 PRESSURE: 4738800 -168.773 14.6413 162.367 14.6411 27.7304 69.1865 162.368 69.1867 -75.4226 GPRESSURE: 4738800 -132.691 134.347 141.068 -14.1396 45.3107 30.8197 167.757 21.4968 -33.7571 PRESSAVG: 4738800 19.5428 -25.1992 -0.238089 -25.1992 26.9386 76.1258 -0.238064 76.1259 -4.59252 GPRESSAVG: 4738800 20.1976 -24.0134 -0.418489 -27.7337 26.1402 75.5445 0.870597 75.5427 -3.91681 TIMING: 4738800 CPU: 13718.9, 0.0028815/step Wall: 13718.9, 0.0028815/step, 0.209069 hours remaining, 210.167969 MB of memory in use. ENERGY: 4738800 731.3078 2087.8415 1931.8722 103.7600 -206093.6036 17771.8908 0.0000 0.0000 34389.3691 -149077.5622 300.3309 -183466.9313 -148990.7190 300.3016 -72.1552 -40.3790 557666.6078 13.9629 14.1403 PRESSURE: 4739000 -22.2244 49.441 -19.9484 49.4413 64.5097 167.767 -19.9498 167.766 -145.727 GPRESSURE: 4739000 -43.0748 49.1485 26.4804 41.2171 159.353 203.8 -47.9898 190.698 -117.659 PRESSAVG: 4739000 16.8364 -13.9587 10.0331 -13.9587 8.59466 23.6517 10.0331 23.6517 -23.9521 GPRESSAVG: 4739000 16.1488 -13.8835 11.2847 -13.0098 9.45626 22.8665 8.41051 23.9683 -24.0737 TIMING: 4739000 CPU: 13719.5, 0.00289917/step Wall: 13719.5, 0.00289917/step, 0.210189 hours remaining, 210.167969 MB of memory in use. ENERGY: 4739000 771.2633 2098.4307 1963.1000 98.2249 -206276.4431 17898.6542 0.0000 0.0000 34213.5365 -149233.2335 298.7953 -183446.7701 -149133.5827 299.3324 -34.4806 -0.4605 558062.1107 0.4930 0.5104 PRESSURE: 4739200 -132.509 29.0042 -116.044 29.0029 -29.2426 -48.6429 -116.044 -48.6448 -170.032 GPRESSURE: 4739200 -134.204 16.0126 -83.0395 -7.13923 2.40124 -70.3418 -86.6148 -14.6247 -102.807 PRESSAVG: 4739200 -34.385 -29.9245 -2.57099 -29.9247 -6.49938 5.74037 -2.57085 5.7403 6.12615 GPRESSAVG: 4739200 -33.7802 -32.6285 -2.52212 -27.646 -7.30584 6.28531 -1.70607 5.6034 6.06252 TIMING: 4739200 CPU: 13720.1, 0.00290406/step Wall: 13720.1, 0.00290406/step, 0.210383 hours remaining, 210.167969 MB of memory in use. ENERGY: 4739200 744.3450 2097.4556 1935.4687 108.3235 -206331.3332 17725.6448 0.0000 0.0000 34537.4577 -149182.6379 301.6242 -183720.0955 -149081.5090 299.4566 -110.5947 -78.2034 557836.1187 -11.5861 -11.6745 PRESSURE: 4739400 159.338 159.605 -170.956 159.603 132.718 73.9444 -170.956 73.9459 323.07 GPRESSURE: 4739400 193.01 167.649 -237.398 136.834 186.436 60.9053 -96.1635 -57.3865 324.609 PRESSAVG: 4739400 19.9889 32.2696 -21.5351 32.2696 -44.7096 12.1601 -21.5352 12.1601 2.84857 GPRESSAVG: 4739400 20.2057 32.2914 -22.9488 31.361 -45.2709 10.6075 -21.192 12.7825 2.88963 TIMING: 4739400 CPU: 13720.7, 0.00289864/step Wall: 13720.7, 0.00289864/step, 0.209829 hours remaining, 210.167969 MB of memory in use. ENERGY: 4739400 729.4662 2103.4347 1949.7479 126.7344 -206490.7742 17966.0398 0.0000 0.0000 34421.0344 -149194.3169 300.6075 -183615.3513 -149089.8768 300.6300 205.0420 234.6853 556065.2555 -7.2907 -7.3919 PRESSURE: 4739600 -100.946 -63.9535 118.091 -63.9535 16.0785 192.492 118.091 192.493 -31.1075 GPRESSURE: 4739600 -124.637 -119.123 74.9955 -3.33272 89.7034 169.605 152.517 210.245 21.4344 PRESSAVG: 4739600 6.36945 47.5824 13.8519 47.5824 49.5884 51.4804 13.8518 51.4803 -19.9945 GPRESSAVG: 4739600 6.05767 48.9121 15.022 47.1751 49.5431 52.5436 16.4011 51.8134 -19.8846 TIMING: 4739600 CPU: 13721.3, 0.00293487/step Wall: 13721.3, 0.00293487/step, 0.212289 hours remaining, 210.167969 MB of memory in use. ENERGY: 4739600 792.1819 2050.0226 1945.4293 101.0364 -206162.7173 17833.6243 0.0000 0.0000 34320.2134 -149120.2093 299.7270 -183440.4228 -149022.0744 300.2840 -38.6584 -4.4996 557960.4997 11.9878 11.9054 PRESSURE: 4739800 190.646 -4.39992 132.823 -4.39829 -60.5542 -5.09266 132.822 -5.09169 -100.048 GPRESSURE: 4739800 243.121 8.09684 62.1227 -36.9454 -15.1092 -10.2756 105.217 -14.9312 -102.75 PRESSAVG: 4739800 21.3071 -15.8539 56.8404 -15.8539 -42.025 42.6073 56.8405 42.6074 27.04 GPRESSAVG: 4739800 20.5053 -17.0302 56.5883 -15.5162 -40.8042 43.5453 53.3697 40.3669 26.709 TIMING: 4739800 CPU: 13721.8, 0.00290087/step Wall: 13721.8, 0.00290087/step, 0.209668 hours remaining, 210.167969 MB of memory in use. ENERGY: 4739800 735.8897 2068.6088 1943.4867 98.1871 -206166.1869 17847.7958 0.0000 0.0000 34221.1080 -149251.1109 298.8614 -183472.2188 -149155.5015 299.6828 10.0147 41.7539 557771.7923 2.1074 2.1367 PRESSURE: 4740000 -161.822 -159.473 -17.9029 -159.473 -262.927 77.3568 -17.9023 77.355 -390.449 GPRESSURE: 4740000 -143.468 -178.581 10.1171 -140.718 -238.321 50.0349 -8.06595 91.9894 -337.938 PRESSAVG: 4740000 -7.10193 -5.12043 20.6735 -5.12035 -36.4102 7.39292 20.6735 7.39288 71.1674 GPRESSAVG: 4740000 -6.75211 -3.74305 20.3237 -5.99588 -36.4109 6.518 22.1254 8.33211 71.0106 TIMING: 4740000 CPU: 13722.4, 0.00288572/step Wall: 13722.4, 0.00288572/step, 0.208413 hours remaining, 210.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4740000 775.4970 2024.2057 1936.7843 100.5268 -205873.4879 17496.9133 0.0000 0.0000 34224.5889 -149314.9719 298.8918 -183539.5608 -149212.6408 299.1516 -271.7324 -239.9092 558898.7837 9.2184 9.2826 PRESSURE: 4740200 94.5692 1.17621 -165.571 1.17622 -496.094 155.007 -165.572 155.007 -129.262 GPRESSURE: 4740200 114.625 11.0612 -161.415 -46.9217 -393.578 129.129 -200.962 214.509 -164.23 PRESSAVG: 4740200 10.7114 -52.3008 21.183 -52.3008 -7.74738 -30.6376 21.183 -30.6376 -36.3457 GPRESSAVG: 4740200 10.9071 -52.1551 22.5285 -51.3647 -8.81424 -30.8446 20.8636 -29.4579 -35.9206 TIMING: 4740200 CPU: 13723, 0.00290379/step Wall: 13723, 0.00290379/step, 0.209557 hours remaining, 210.167969 MB of memory in use. ENERGY: 4740200 702.9425 2068.4404 1939.5199 118.8735 -205943.9241 17415.9618 0.0000 0.0000 34545.5756 -149152.6104 301.6951 -183698.1860 -149049.4176 299.1370 -176.9292 -147.7275 557962.0659 -11.1272 -11.2759 LDB: ============= START OF LOAD BALANCING ============== 13726.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13726.4 LDB: =============== DONE WITH MIGRATION ================ 13726.4 LDB: ============= START OF LOAD BALANCING ============== 13726.7 LDB: Largest compute 4773 load 0.026641 is 22.6% of average load 0.118074 LDB: Average compute 0.001728 is 1.5% of average load 0.118074 LDB: TIME 13726.7 LOAD: AVG 0.118074 MAX 0.180604 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.832 MB LDB: TIME 13726.7 LOAD: AVG 0.118074 MAX 0.180604 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.035 MB LDB: TIME 13726.7 LOAD: AVG 0.118074 MAX 0.180604 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.035 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13726.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13726.7 PRESSURE: 4740400 -51.2018 -77.7198 36.7829 -77.7193 -65.6048 -51.3142 36.7831 -51.3148 87.3549 GPRESSURE: 4740400 21.977 -88.2616 -18.4841 6.02894 -88.9346 13.7768 93.8951 -97.8308 131.537 PRESSAVG: 4740400 -25.8787 -24.7591 4.08796 -24.7591 -36.9369 0.365839 4.08802 0.365718 100.502 GPRESSAVG: 4740400 -26.5212 -24.3404 2.99837 -26.0779 -36.119 -2.36174 3.55788 0.532428 100.178 TIMING: 4740400 CPU: 13723.6, 0.0029383/step Wall: 13723.6, 0.0029383/step, 0.211884 hours remaining, 209.859375 MB of memory in use. ENERGY: 4740400 729.2713 2052.8829 1938.2877 103.5647 -206222.6226 17879.2953 0.0000 0.0000 34217.1158 -149302.2048 298.8266 -183519.3207 -149206.6805 299.0827 -9.8173 21.5263 557786.7398 12.5620 12.5128 PRESSURE: 4740600 -130.943 123.481 -32.338 123.482 63.1035 34.0464 -32.338 34.046 -177.406 GPRESSURE: 4740600 -165.108 110.555 -8.59121 88.0167 151.834 -8.51412 -24.202 30.0236 -129.607 PRESSAVG: 4740600 -43.7151 27.2675 -14.5933 27.2676 -28.3644 -24.9392 -14.5933 -24.9391 65.9374 GPRESSAVG: 4740600 -44.377 27.0785 -15.3714 28.1445 -27.997 -21.1911 -12.6033 -26.9248 66.0786 TIMING: 4740600 CPU: 13724.2, 0.00288442/step Wall: 13724.2, 0.00288442/step, 0.207838 hours remaining, 209.859375 MB of memory in use. ENERGY: 4740600 722.4599 2103.3665 1917.8511 115.1374 -206024.7458 17694.3982 0.0000 0.0000 34248.2264 -149223.3063 299.0983 -183471.5327 -149121.3768 298.7161 -81.7485 -47.6272 557625.1401 -2.0473 -2.0985 PRESSURE: 4740800 153.689 -111.591 30.3867 -111.592 78.5354 111.949 30.3868 111.949 -42.3063 GPRESSURE: 4740800 166.018 -167.11 -58.482 -93.939 127.452 75.43 51.1632 123.146 -10.1703 PRESSAVG: 4740800 -30.223 69.5565 -4.01742 69.5565 -36.935 -24.0212 -4.01753 -24.0213 53.9729 GPRESSAVG: 4740800 -30.0213 69.0568 -3.87772 68.9694 -36.7021 -24.6583 -4.23167 -23.7184 52.9428 TIMING: 4740800 CPU: 13724.7, 0.00291683/step Wall: 13724.7, 0.00291683/step, 0.210012 hours remaining, 209.859375 MB of memory in use. ENERGY: 4740800 755.2858 2070.3049 1918.6117 118.6856 -206136.1781 17912.1593 0.0000 0.0000 34268.8762 -149092.2545 299.2786 -183361.1306 -148993.7055 300.0251 63.3060 94.4334 557781.8594 -4.3950 -4.5935 PRESSURE: 4741000 -227.77 -50.9814 -93.1446 -50.9806 33.4285 101.69 -93.1463 101.691 -19.9339 GPRESSURE: 4741000 -223.175 -24.2402 -126.57 -111.559 39.902 158.627 -101.777 42.7904 49.2025 PRESSAVG: 4741000 11.0866 -18.5041 -6.88608 -18.5042 -25.6114 -38.5132 -6.88599 -38.5133 36.1854 GPRESSAVG: 4741000 12.2453 -17.8636 -6.39856 -18.3723 -27.2951 -40.3459 -8.01114 -37.5454 36.8919 TIMING: 4741000 CPU: 13725.3, 0.00289046/step Wall: 13725.3, 0.00289046/step, 0.207953 hours remaining, 209.859375 MB of memory in use. ENERGY: 4741000 743.0919 2074.7477 1945.1862 122.5687 -206223.2993 17664.1147 0.0000 0.0000 34375.6275 -149297.9627 300.2109 -183673.5903 -149205.1691 299.4773 -71.4252 -44.6903 555997.6781 7.2202 7.2807 PRESSURE: 4741200 256.364 157.011 -37.9799 157.013 -41.1872 -45.9833 -37.9802 -45.9821 51.6752 GPRESSURE: 4741200 312.008 131.889 21.2906 110.477 13.8264 -32.5901 -57.0495 -104.847 33.8816 PRESSAVG: 4741200 -9.04273 -4.81878 1.01078 -4.81863 -14.5251 -37.3912 1.01069 -37.3912 -28.8807 GPRESSAVG: 4741200 -10.1689 -5.55318 0.603652 -2.71721 -12.7732 -36.9461 1.39935 -36.9276 -29.2272 TIMING: 4741200 CPU: 13725.9, 0.00289889/step Wall: 13725.9, 0.00289889/step, 0.208398 hours remaining, 209.859375 MB of memory in use. ENERGY: 4741200 749.8159 2049.6198 1948.5931 108.2855 -206357.8381 17871.5037 0.0000 0.0000 34448.0564 -149181.9636 300.8434 -183630.0201 -149083.9251 299.2664 88.9508 119.9054 556774.3550 -17.4828 -17.3898 PRESSURE: 4741400 117.004 68.2095 -167.215 68.2092 200.673 -35.123 -167.216 -35.1231 185.432 GPRESSURE: 4741400 159.228 69.0903 -220.453 107.27 217.299 -4.41836 -117.673 -61.873 227.518 PRESSAVG: 4741400 62.6758 54.6156 -43.9349 54.6157 -51.3929 -98.4406 -43.9349 -98.4406 -2.06424 GPRESSAVG: 4741400 62.5806 53.3824 -45.0909 52.8413 -51.7593 -98.5155 -42.2956 -98.979 -2.05156 TIMING: 4741400 CPU: 13726.5, 0.00291394/step Wall: 13726.5, 0.00291394/step, 0.209318 hours remaining, 209.859375 MB of memory in use. ENERGY: 4741400 733.5454 2052.5985 1925.7994 106.0151 -206093.6320 17932.8596 0.0000 0.0000 34205.2232 -149137.5908 298.7227 -183342.8140 -149041.8765 299.9888 167.7032 201.3484 557612.7906 3.0729 2.9233 PRESSURE: 4741600 -182.91 180.258 -66.3925 180.257 -368.913 131.463 -66.3909 131.463 -7.86795 GPRESSURE: 4741600 -165.665 113.339 -117.84 340.273 -331.389 95.9642 -71.3471 94.0893 19.4012 PRESSAVG: 4741600 91.6103 87.5854 10.2718 87.5855 -0.47341 -23.4352 10.2719 -23.4352 -66 GPRESSAVG: 4741600 91.383 88.9113 9.90403 88.5435 0.188267 -24.1837 8.61805 -23.6242 -66.1917 TIMING: 4741600 CPU: 13727.1, 0.00291136/step Wall: 13727.1, 0.00291136/step, 0.208971 hours remaining, 209.859375 MB of memory in use. ENERGY: 4741600 759.8110 2092.6373 1947.1238 129.1315 -205593.7725 17337.4316 0.0000 0.0000 34287.8158 -149039.8215 299.4440 -183327.6373 -148934.2439 300.0439 -186.5636 -159.2174 557935.0700 8.3790 8.4598 PRESSURE: 4741800 -156.838 -83.3465 -23.098 -83.3462 -145.069 -31.8574 -23.0985 -31.8567 -0.593552 GPRESSURE: 4741800 -154.72 -70.6016 -2.8798 -134.019 -77.7636 13.814 -71.5784 -17.6117 40.804 PRESSAVG: 4741800 29.1546 27.4087 16.6286 27.4089 -32.7929 -9.76059 16.6286 -9.76058 11.0023 GPRESSAVG: 4741800 30.9913 26.9727 17.4177 28.5111 -34.3032 -8.50697 17.7249 -8.82943 10.554 TIMING: 4741800 CPU: 13727.6, 0.00290019/step Wall: 13727.6, 0.00290019/step, 0.208008 hours remaining, 209.859375 MB of memory in use. ENERGY: 4741800 729.7798 2132.6058 1931.1019 104.6147 -206024.4160 17606.8882 0.0000 0.0000 34471.4504 -149047.9753 301.0477 -183519.4257 -148949.7924 300.0916 -100.8336 -63.8933 556301.7611 2.4547 2.4140 PRESSURE: 4742000 92.0579 24.1401 -119.886 24.1406 -94.4885 67.0639 -119.886 67.0639 -123.927 GPRESSURE: 4742000 124.354 109.954 -115.004 5.88929 -36.58 90.6078 -50.0239 95.8128 -106.411 PRESSAVG: 4742000 -31.3396 28.9151 -32.4467 28.9152 -54.1892 18.0545 -32.4467 18.0546 64.087 GPRESSAVG: 4742000 -32.9324 28.9861 -32.3685 26.9683 -52.9248 18.8675 -33.0003 16.1177 64.6324 TIMING: 4742000 CPU: 13728.2, 0.00292554/step Wall: 13728.2, 0.00292554/step, 0.209664 hours remaining, 209.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4742000 758.9784 2095.7114 1935.5794 109.3980 -205938.5729 17647.0528 0.0000 0.0000 34284.5342 -149107.3187 299.4154 -183391.8529 -149007.0093 300.4703 -42.1192 -6.2125 557651.9392 -7.1472 -7.0749 PRESSURE: 4742200 45.3761 -48.4238 -30.5088 -48.4226 -7.40161 81.2094 -30.5093 81.2087 61.5885 GPRESSURE: 4742200 76.4966 -58.3227 3.71196 -31.1066 5.04533 56.0639 -109.113 26.167 113.991 PRESSAVG: 4742200 62.6875 -7.16254 22.8586 -7.16257 -38.0183 29.6647 22.8586 29.6646 -12.4395 GPRESSAVG: 4742200 62.4226 -6.97603 25.2525 -6.56569 -38.7538 26.1272 21.3262 33.0696 -11.8284 TIMING: 4742200 CPU: 13728.8, 0.00291966/step Wall: 13728.8, 0.00291966/step, 0.20908 hours remaining, 209.859375 MB of memory in use. ENERGY: 4742200 746.3157 2086.9746 1943.7839 117.1430 -206086.7534 17694.8852 0.0000 0.0000 34317.8568 -149179.7942 299.7064 -183497.6510 -149083.4430 300.0427 33.1877 65.1776 556197.2749 4.0766 3.9468 PRESSURE: 4742400 -42.8281 -32.8696 -61.3961 -32.869 -153.301 -5.78333 -61.3955 -5.78302 111.412 GPRESSURE: 4742400 -13.6609 -84.5806 -20.8782 27.8883 -93.5999 -8.93962 -104.011 -0.291313 120.251 PRESSAVG: 4742400 -12.4389 -6.97993 32.4704 -6.97988 -18.9837 -27.712 32.4703 -27.7121 28.1016 GPRESSAVG: 4742400 -12.5025 -8.6851 30.2754 -5.93424 -17.8572 -25.3153 34.6253 -31.2737 27.4823 TIMING: 4742400 CPU: 13729.4, 0.00289524/step Wall: 13729.4, 0.00289524/step, 0.207171 hours remaining, 209.859375 MB of memory in use. ENERGY: 4742400 746.6204 2064.8627 1923.3457 115.2851 -206158.5418 17739.0230 0.0000 0.0000 34250.4313 -149318.9736 299.1175 -183569.4049 -149218.6745 298.9757 -28.2388 4.3302 556763.9457 -1.1070 -0.9591 PRESSURE: 4742600 64.499 -15.1935 -45.7588 -15.1947 -222.579 168.352 -45.7585 168.352 4.34465 GPRESSURE: 4742600 86.322 32.2631 -81.6111 -91.1519 -156.718 132.612 -53.418 230.88 17.6071 PRESSAVG: 4742600 7.80633 32.9457 31.7477 32.9458 -53.973 -22.7939 31.7477 -22.7941 55.574 GPRESSAVG: 4742600 8.48006 34.5012 29.028 31.3992 -55.6249 -25.0391 31.1907 -19.1784 56.061 TIMING: 4742600 CPU: 13730, 0.00289615/step Wall: 13730, 0.00289615/step, 0.207075 hours remaining, 209.859375 MB of memory in use. ENERGY: 4742600 732.8045 2127.6238 1922.7140 114.8882 -206494.2173 17849.7636 0.0000 0.0000 34386.0112 -149360.4121 300.3016 -183746.4233 -149259.6960 299.6176 -51.2451 -17.5963 557074.5990 3.1358 2.9720 PRESSURE: 4742800 -153.833 106.222 95.0304 106.222 -80.0309 78.6749 95.0316 78.6763 -293.014 GPRESSURE: 4742800 -146.76 142.197 127.625 49.1193 1.32244 128.075 68.9193 -16.1264 -283.217 PRESSAVG: 4742800 35.3546 40.1426 -3.12345 40.1426 17.6497 11.8306 -3.12348 11.8305 -35.694 GPRESSAVG: 4742800 34.5 39.9292 1.60502 40.0343 18.8886 14.2686 -4.61735 8.5625 -36.2264 TIMING: 4742800 CPU: 13730.6, 0.00290116/step Wall: 13730.6, 0.00290116/step, 0.207272 hours remaining, 209.859375 MB of memory in use. ENERGY: 4742800 760.5881 2160.6219 1928.3406 125.9586 -206107.4980 17656.3275 0.0000 0.0000 34167.2698 -149308.3915 298.3913 -183475.6614 -149213.3083 299.3606 -175.6258 -142.8847 558477.5924 5.7701 5.7207 PRESSURE: 4743000 -373.665 72.9094 -60.2011 72.9089 -46.2561 -62.8238 -60.202 -62.8234 -48.3832 GPRESSURE: 4743000 -361.656 58.2985 -36.8977 28.988 -7.19391 7.71312 -37.4702 -49.6879 -6.43215 PRESSAVG: 4743000 35.2859 31.341 -18.6988 31.341 8.17515 3.81415 -18.6988 3.81417 -23.5579 GPRESSAVG: 4743000 34.794 30.5983 -22.4907 31.5007 8.00266 1.74503 -18.3591 6.86007 -23.2714 TIMING: 4743000 CPU: 13731.1, 0.0029009/step Wall: 13731.1, 0.0029009/step, 0.207092 hours remaining, 209.859375 MB of memory in use. ENERGY: 4743000 776.5373 2142.6908 1938.4632 102.8840 -206379.6313 17772.4950 0.0000 0.0000 34331.7153 -149314.8457 299.8274 -183646.5610 -149214.1430 299.4793 -156.1014 -125.0941 558063.2592 6.6344 6.5084 PRESSURE: 4743200 -32.3335 -33.8064 211.182 -33.806 116.889 57.3339 211.182 57.3336 -77.4928 GPRESSURE: 4743200 2.43016 -74.8567 105.663 95.4929 148.717 84.4042 210.616 90.5246 -45.2837 PRESSAVG: 4743200 10.4621 11.6814 -3.81027 11.6814 -0.749988 22.3956 -3.81014 22.3956 -56.846 GPRESSAVG: 4743200 10.0274 12.7165 -1.97112 10.4492 -0.297462 24.2809 -3.19381 20.9119 -57.2931 TIMING: 4743200 CPU: 13731.7, 0.00290739/step Wall: 13731.7, 0.00290739/step, 0.207394 hours remaining, 209.859375 MB of memory in use. ENERGY: 4743200 754.9457 2073.4674 1922.5075 111.0092 -206161.4997 17812.5432 0.0000 0.0000 34279.5931 -149207.4336 299.3722 -183487.0266 -149107.5065 298.8950 2.3541 35.2879 558208.5874 -15.7113 -15.8544 PRESSURE: 4743400 -103.135 -62.6552 119.803 -62.6554 -230.258 -81.2526 119.803 -81.2532 160.586 GPRESSURE: 4743400 -32.0653 6.24893 127.177 -15.0578 -184.911 2.52563 113.937 -77.6293 147.241 PRESSAVG: 4743400 -47.2681 -47 24.8466 -47 19.6673 48.9501 24.8466 48.9502 23.7932 GPRESSAVG: 4743400 -45.1843 -46.629 24.729 -46.9249 18.4987 47.8331 24.7827 50.3023 23.5009 TIMING: 4743400 CPU: 13732.3, 0.0028893/step Wall: 13732.3, 0.0028893/step, 0.205943 hours remaining, 209.859375 MB of memory in use. ENERGY: 4743400 767.8691 2106.2448 1927.8708 114.5164 -206308.1969 17821.5676 0.0000 0.0000 34275.0965 -149295.0316 299.3329 -183570.1281 -149198.3687 299.5850 -57.6024 -23.2452 557947.1596 -1.2692 -1.0616 PRESSURE: 4743600 24.8213 2.15224 89.2726 2.15376 -72.187 32.7117 89.2715 32.7109 87.7822 GPRESSURE: 4743600 23.2599 22.4781 59.1321 69.6866 -15.9496 -1.82865 119.955 -10.5286 123.457 PRESSAVG: 4743600 -83.7426 15.0809 4.26907 15.0809 21.3437 15.3458 4.26905 15.3458 47.0369 GPRESSAVG: 4743600 -85.3568 12.5775 3.98444 17.1714 21.4756 16.151 3.82341 12.021 48.443 TIMING: 4743600 CPU: 13732.9, 0.00291796/step Wall: 13732.9, 0.00291796/step, 0.207824 hours remaining, 209.859375 MB of memory in use. ENERGY: 4743600 770.1062 2116.7281 1946.4738 105.2726 -206446.9526 17780.2528 0.0000 0.0000 34178.7199 -149549.3992 298.4913 -183728.1192 -149452.7687 298.7301 13.4722 43.5891 556475.5483 -5.1207 -5.1461 PRESSURE: 4743800 131.285 -140.163 -27.0636 -140.163 146.18 94.0516 -27.0643 94.0506 247.566 GPRESSURE: 4743800 178.907 -191.661 -126.474 -176.467 141.53 96.7262 21.6763 89.6726 308.313 PRESSAVG: 4743800 -46.724 -30.6813 -49.5069 -30.6812 68.0504 16.1479 -49.5068 16.1478 32.37 GPRESSAVG: 4743800 -46.4917 -28.5565 -47.3285 -32.1376 68.2161 14.1879 -49.5309 18.2913 31.8702 TIMING: 4743800 CPU: 13733.5, 0.00290123/step Wall: 13733.5, 0.00290123/step, 0.206471 hours remaining, 209.859375 MB of memory in use. ENERGY: 4743800 758.8601 2104.3295 1924.4067 121.3772 -206926.7850 18079.5672 0.0000 0.0000 34413.4549 -149524.7893 300.5413 -183938.2442 -149436.3168 299.0529 175.0103 209.5833 554441.4478 17.8988 17.8648 PRESSURE: 4744000 -98.2307 149.037 36.901 149.036 168.64 -39.5013 36.9003 -39.4985 6.51475 GPRESSURE: 4744000 -143.508 119.727 2.44019 182.042 237.975 -27.6445 28.4761 -11.5783 90.962 PRESSAVG: 4744000 -44.8348 -25.9569 12.8443 -25.9569 14.3568 9.845 12.8444 9.84503 0.732986 GPRESSAVG: 4744000 -44.2901 -28.9403 10.1099 -23.9937 14.258 11.5136 14.7541 8.77464 0.218106 TIMING: 4744000 CPU: 13734, 0.00291989/step Wall: 13734, 0.00291989/step, 0.207637 hours remaining, 209.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4744000 741.0352 2041.9908 1931.7591 112.7174 -206504.9913 17937.7888 0.0000 0.0000 34175.0556 -149564.6444 298.4593 -183739.6999 -149463.2984 298.9314 25.6412 61.8096 557029.9940 -9.9150 -9.9380 PRESSURE: 4744200 -45.842 30.8963 21.9597 30.8975 -47.5033 -79.4091 21.9601 -79.4104 66.7882 GPRESSURE: 4744200 -37.1682 59.0655 19.9414 31.7048 -38.3015 -164.396 -2.85184 10.7905 139.996 PRESSAVG: 4744200 22.6015 5.80531 39.7841 5.80534 -75.0915 18.8853 39.7841 18.8853 46.5336 GPRESSAVG: 4744200 22.6488 7.76175 41.7165 5.02707 -75.2245 16.5592 38.4448 19.4745 46.711 TIMING: 4744200 CPU: 13734.6, 0.00292533/step Wall: 13734.6, 0.00292533/step, 0.207861 hours remaining, 209.859375 MB of memory in use. ENERGY: 4744200 749.4357 2077.9955 1908.3186 118.6401 -206588.1607 17859.4631 0.0000 0.0000 34204.8390 -149669.4686 298.7194 -183874.3077 -149574.4364 297.8317 -8.8524 21.5088 557417.8717 -1.9855 -1.9549 LDB: ============= START OF LOAD BALANCING ============== 13738 LDB: ============== END OF LOAD BALANCING =============== 13738 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13738 LDB: ============= START OF LOAD BALANCING ============== 13738.3 LDB: Largest compute 4773 load 0.028158 is 23.9% of average load 0.117981 LDB: Average compute 0.001734 is 1.5% of average load 0.117981 LDB: TIME 13738.3 LOAD: AVG 0.117981 MAX 0.179774 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.574 MB LDB: TIME 13738.3 LOAD: AVG 0.117981 MAX 0.179774 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.777 MB LDB: TIME 13738.3 LOAD: AVG 0.117981 MAX 0.179774 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13738.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13738.3 PRESSURE: 4744400 -209.819 29.1728 28.6002 29.173 -180.021 -162.942 28.5988 -162.942 -307.738 GPRESSURE: 4744400 -197.626 4.45062 -30.3548 87.4986 -174.575 -88.1949 82.4362 -153.831 -226.118 PRESSAVG: 4744400 33.0004 14.6991 -20.3229 14.699 -3.39265 -62.4497 -20.3229 -62.4497 -45.3595 GPRESSAVG: 4744400 31.1124 13.4886 -19.6065 14.0723 -2.67617 -60.7624 -22.5267 -62.9931 -43.8614 TIMING: 4744400 CPU: 13735.2, 0.00295891/step Wall: 13735.2, 0.00295891/step, 0.210083 hours remaining, 212.054688 MB of memory in use. ENERGY: 4744400 750.3351 2006.6985 1933.3242 120.5521 -205915.9936 17448.8054 0.0000 0.0000 34019.6035 -149636.6747 297.1017 -183656.2782 -149540.0300 298.3209 -232.5260 -199.4399 557156.5282 -5.2506 -5.1417 PRESSURE: 4744600 -22.4288 16.6443 50.9833 16.6442 -121.773 -56.902 50.9826 -56.9012 -2.00761 GPRESSURE: 4744600 -26.6633 -90.8869 153.09 -12.8867 -100.222 -39.2071 12.6035 -51.9616 73.6352 PRESSAVG: 4744600 48.3465 1.04964 37.5841 1.04959 13.6478 -23.2699 37.5841 -23.27 -22.6455 GPRESSAVG: 4744600 49.6812 0.694657 35.8149 0.196294 13.4082 -24.099 41.0341 -23.9657 -24.0314 TIMING: 4744600 CPU: 13735.8, 0.00289755/step Wall: 13735.8, 0.00289755/step, 0.205565 hours remaining, 212.054688 MB of memory in use. ENERGY: 4744600 742.4469 2074.0206 1922.5204 107.5821 -205988.3892 17616.1069 0.0000 0.0000 34042.9216 -149482.7906 297.3053 -183525.7122 -149390.1953 298.6080 -48.7363 -17.7502 557403.4213 13.1163 13.0193 PRESSURE: 4744800 -4.1691 65.7397 -56.3837 65.7406 16.9207 128.214 -56.3828 128.215 18.9183 GPRESSURE: 4744800 -22.1362 35.2963 -84.9378 119.071 -10.9004 144.26 -76.7303 98.6349 151.562 PRESSAVG: 4744800 -67.0437 11.9521 -26.5769 11.9521 64.4798 -45.3724 -26.5769 -45.3725 0.779415 GPRESSAVG: 4744800 -66.4222 12.6758 -25.1151 13.3456 63.6866 -45.0384 -28.4045 -44.4638 1.12445 TIMING: 4744800 CPU: 13736.4, 0.00288098/step Wall: 13736.4, 0.00288098/step, 0.20423 hours remaining, 212.054688 MB of memory in use. ENERGY: 4744800 766.0950 2061.3881 1913.2698 116.8935 -206275.2537 17808.0349 0.0000 0.0000 34173.7670 -149435.8053 298.4480 -183609.5723 -149339.6402 298.9278 10.5566 39.5083 556454.3565 -0.5948 -0.5371 PRESSURE: 4745000 -177.579 55.3171 57.6176 55.3178 67.205 -88.4002 57.6165 -88.4013 69.6324 GPRESSURE: 4745000 -78.5198 94.2393 57.6556 16.3018 40.2294 -46.4395 59.4864 -101.324 98.3135 PRESSAVG: 4745000 5.60884 -47.2081 -31.887 -47.208 -12.6761 -54.6533 -31.8871 -54.6531 15.1845 GPRESSAVG: 4745000 7.10525 -48.0483 -34.662 -45.6588 -14.4133 -55.6036 -29.9456 -54.0719 15.3405 TIMING: 4745000 CPU: 13737, 0.00289062/step Wall: 13737, 0.00289062/step, 0.204752 hours remaining, 212.054688 MB of memory in use. ENERGY: 4745000 778.4243 2073.1605 1916.4073 110.9022 -206400.4933 17956.2703 0.0000 0.0000 34123.7046 -149441.6242 298.0108 -183565.3288 -149343.6934 299.3846 -13.5806 20.0077 558324.8494 2.7057 2.6775 PRESSURE: 4745200 -220.782 -202.99 255.362 -202.989 -44.0853 -47.5375 255.363 -47.5368 141.997 GPRESSURE: 4745200 -126.529 -216.834 228.897 -170.952 -42.9665 -150.613 273.625 -34.9841 144.343 PRESSAVG: 4745200 -79.2304 -52.588 24.1061 -52.5881 38.8908 -11.0477 24.106 -11.0477 64.8582 GPRESSAVG: 4745200 -80.501 -51.8585 26.489 -53.4286 40.8628 -10.3116 22.2913 -12.55 64.475 TIMING: 4745200 CPU: 13737.5, 0.00290761/step Wall: 13737.5, 0.00290761/step, 0.205794 hours remaining, 212.054688 MB of memory in use. ENERGY: 4745200 731.9963 2071.2779 1921.5701 119.4658 -206602.8877 17896.1136 0.0000 0.0000 34304.0617 -149558.4024 299.5859 -183862.4641 -149463.3443 298.5347 -40.9569 -8.3841 557392.6998 8.1729 8.2789 PRESSURE: 4745400 -159.673 -41.9801 41.8648 -41.9794 -212.226 -4.7056 41.8647 -4.70715 157.895 GPRESSURE: 4745400 -136.692 -45.7298 70.5651 -105.817 -130.902 -19.5164 29.2677 -101.853 142.464 PRESSAVG: 4745400 -34.5943 -10.1801 -14.9287 -10.18 -18.9722 -58.1716 -14.9287 -58.1715 88.6008 GPRESSAVG: 4745400 -35.933 -8.06266 -16.1059 -11.1023 -17.8523 -58.8174 -13.3674 -58.2929 88.524 TIMING: 4745400 CPU: 13738.1, 0.00289428/step Wall: 13738.1, 0.00289428/step, 0.20469 hours remaining, 212.054688 MB of memory in use. ENERGY: 4745400 724.2517 2084.5828 1925.6101 108.2022 -206264.5435 17733.6585 0.0000 0.0000 34147.5608 -149540.6774 298.2191 -183688.2382 -149450.0425 298.4023 -71.3349 -41.7101 557359.4371 11.6781 11.5796 PRESSURE: 4745600 120.983 76.9368 -2.10507 76.9369 38.8236 12.9235 -2.10509 12.922 -121.499 GPRESSURE: 4745600 175.129 41.7996 -84.9075 69.4937 56.4101 58.8281 -47.1375 59.157 -98.0834 PRESSAVG: 4745600 -16.9789 25.4077 25.2812 25.4078 41.7536 -0.0539205 25.2813 -0.0540372 2.83306 GPRESSAVG: 4745600 -16.166 23.5287 25.3691 25.2279 40.6126 -0.154239 24.1234 0.513519 3.12846 TIMING: 4745600 CPU: 13738.7, 0.00289159/step Wall: 13738.7, 0.00289159/step, 0.204339 hours remaining, 212.054688 MB of memory in use. ENERGY: 4745600 746.9274 2072.9927 1934.2301 110.7577 -206221.0131 17840.2664 0.0000 0.0000 33929.6372 -149586.2017 296.3160 -183515.8389 -149494.7125 298.3270 12.7692 44.4853 557262.4057 9.2026 9.1917 PRESSURE: 4745800 -190.666 -53.3891 40.141 -53.389 -197.587 -17.7095 40.141 -17.7086 100.668 GPRESSURE: 4745800 -145.187 2.09476 66.5339 -103.252 -178.501 15.3175 31.4717 19.1137 129.551 PRESSAVG: 4745800 14.6268 18.8432 -30.7661 18.8431 19.0123 -48.9929 -30.766 -48.9929 -17.6348 GPRESSAVG: 4745800 14.6914 18.6189 -29.4627 18.6112 19.2522 -48.56 -31.58 -49.588 -17.8261 TIMING: 4745800 CPU: 13739.3, 0.00287629/step Wall: 13739.3, 0.00287629/step, 0.203098 hours remaining, 212.054688 MB of memory in use. ENERGY: 4745800 773.4359 2061.2644 1945.5077 114.8534 -206346.7137 17873.6211 0.0000 0.0000 34098.3120 -149479.7192 297.7890 -183578.0313 -149379.6671 298.1798 -95.8617 -64.7124 558686.8129 5.3348 5.3725 PRESSURE: 4746000 125.159 63.4979 -138.334 63.498 97.204 -49.8656 -138.334 -49.8641 -129.815 GPRESSURE: 4746000 185.249 37.6014 -72.2315 75.8191 138.119 -174.644 -171.892 -35.7028 -132.487 PRESSAVG: 4746000 51.1558 -5.72187 -31.3663 -5.72186 -25.5578 -23.5043 -31.3663 -23.5044 -20.3949 GPRESSAVG: 4746000 51.0335 -5.37914 -30.8651 -4.4873 -25.0766 -24.5299 -31.0828 -22.401 -20.4013 TIMING: 4746000 CPU: 13739.8, 0.0028917/step Wall: 13739.8, 0.0028917/step, 0.204026 hours remaining, 212.054688 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: 4746000 717.1472 2070.9502 1935.8297 118.1301 -206480.0177 17939.5465 0.0000 0.0000 34125.0775 -149573.3365 298.0228 -183698.4140 -149476.5025 298.2902 30.8494 63.6267 559027.7550 1.7344 1.8518 PRESSURE: 4746200 202.334 43.6854 81.0089 43.6844 18.6854 105.743 81.0103 105.743 125.573 GPRESSURE: 4746200 222.382 10.1587 117.051 85.6256 34.4923 144.529 69.4337 141.078 189.016 PRESSAVG: 4746200 39.6755 -20.6285 12.4639 -20.6286 26.4084 22.3813 12.4639 22.3814 -41.7975 GPRESSAVG: 4746200 39.5209 -20.8427 12.3749 -19.0108 25.8677 22.8338 13.1222 22.2918 -40.7194 TIMING: 4746200 CPU: 13740.4, 0.00289426/step Wall: 13740.4, 0.00289426/step, 0.204045 hours remaining, 212.054688 MB of memory in use. ENERGY: 4746200 732.2918 2080.2177 1933.7255 125.7026 -206784.6876 18017.5731 0.0000 0.0000 34353.9982 -149541.1787 300.0220 -183895.1769 -149440.5578 297.9866 115.5306 148.6303 557674.1459 8.0954 8.2231 PRESSURE: 4746400 45.3981 127.832 121.815 127.831 -104.421 127.789 121.815 127.789 -34.7316 GPRESSURE: 4746400 100.831 24.8654 188.539 113.901 -93.1021 166.365 40.3273 17.4764 2.4706 PRESSAVG: 4746400 79.9409 41.1565 3.67834 41.1566 -47.8303 10.4321 3.67831 10.4323 -30.0805 GPRESSAVG: 4746400 80.8046 40.6767 4.14021 39.846 -48.1626 11.1948 2.44984 11.0481 -29.9979 TIMING: 4746400 CPU: 13741, 0.00290817/step Wall: 13741, 0.00290817/step, 0.204864 hours remaining, 212.054688 MB of memory in use. ENERGY: 4746400 737.4968 2073.6408 1933.7081 121.1210 -206197.7023 17903.2064 0.0000 0.0000 34016.9551 -149411.5742 297.0785 -183428.5293 -149313.9678 298.5106 -31.2516 3.3999 559180.1032 0.6767 0.8814 PRESSURE: 4746600 -189.916 34.2972 -5.49886 34.2966 -257.069 -85.7134 -5.49819 -85.7147 46.9579 GPRESSURE: 4746600 -123.889 -32.3413 84.3718 106.974 -191.723 -115.193 -17.0856 -60.4617 15.6216 PRESSAVG: 4746600 41.1627 3.57039 22.6744 3.57035 -45.1367 37.1341 22.6743 37.134 10.8285 GPRESSAVG: 4746600 41.5467 4.77777 23.6917 1.54038 -44.9882 38.1377 23.032 35.9129 10.0709 TIMING: 4746600 CPU: 13741.6, 0.00290672/step Wall: 13741.6, 0.00290672/step, 0.2046 hours remaining, 212.054688 MB of memory in use. ENERGY: 4746600 755.4998 2028.8815 1927.7924 106.1295 -206144.9917 17688.1229 0.0000 0.0000 34150.5231 -149488.0427 298.2450 -183638.5657 -149387.7505 297.8417 -133.3423 -99.9970 558282.9432 2.2848 2.2098 PRESSURE: 4746800 293.187 2.82846 -41.775 2.82981 51.9507 -116.961 -41.7758 -116.961 45.7131 GPRESSURE: 4746800 345.904 -41.6401 -19.5182 -36.2797 7.75247 -91.6221 -37.81 -124.821 135.996 PRESSAVG: 4746800 -10.0097 4.74158 -9.29306 4.74152 7.77158 -62.5565 -9.29304 -62.5566 -20.8571 GPRESSAVG: 4746800 -10.3223 3.80962 -11.4611 6.06275 7.24361 -63.6805 -8.76623 -63.3869 -20.2297 TIMING: 4746800 CPU: 13742.2, 0.00289867/step Wall: 13742.2, 0.00289866/step, 0.203873 hours remaining, 212.054688 MB of memory in use. ENERGY: 4746800 716.4900 2085.9545 1949.7646 117.2568 -206446.8684 17982.2178 0.0000 0.0000 34163.0256 -149432.1590 298.3542 -183595.1846 -149328.4520 297.7764 130.2837 163.2174 557290.5585 -7.6984 -7.7695 PRESSURE: 4747000 157.01 -67.5994 67.0946 -67.5999 -190.21 31.8439 67.0942 31.8448 -25.0647 GPRESSURE: 4747000 157.987 17.0826 71.3826 -5.04805 -112.293 -48.098 72.6069 70.0127 3.27694 PRESSAVG: 4747000 81.0355 -7.69384 -13.3218 -7.69386 -60.0396 41.4613 -13.3218 41.4612 16.6596 GPRESSAVG: 4747000 80.0239 -8.36077 -12.8202 -7.66505 -58.9583 40.7589 -13.8282 45.0211 16.7295 TIMING: 4747000 CPU: 13742.8, 0.00293072/step Wall: 13742.8, 0.00293072/step, 0.205965 hours remaining, 212.054688 MB of memory in use. ENERGY: 4747000 767.6677 2093.7178 1922.6545 109.9718 -206348.8652 17786.5473 0.0000 0.0000 34194.7956 -149473.5106 298.6317 -183668.3062 -149381.1910 297.6224 -19.4215 16.3237 558037.9933 12.5518 12.5984 PRESSURE: 4747200 -48.8892 -89.0373 -13.6085 -89.0395 -146.878 129.48 -13.6094 129.479 -304.037 GPRESSURE: 4747200 13.3539 1.19262 -170.283 -129.512 -97.7932 279.769 72.7958 49.5449 -314.471 PRESSAVG: 4747200 24.3852 5.70385 -21.5755 5.70389 -67.1715 30.5577 -21.5755 30.5576 24.4509 GPRESSAVG: 4747200 24.5425 7.44232 -22.1762 4.99654 -68.2398 31.6281 -20.2459 28.5191 24.5443 TIMING: 4747200 CPU: 13743.3, 0.00292543/step Wall: 13743.3, 0.00292543/step, 0.20543 hours remaining, 212.054688 MB of memory in use. ENERGY: 4747200 756.3179 2109.9948 1935.7233 115.6551 -206042.8877 17589.1972 0.0000 0.0000 34074.8803 -149461.1191 297.5844 -183535.9995 -149359.7206 298.3615 -166.6015 -132.9700 559485.4216 -6.1118 -6.3843 PRESSURE: 4747400 -345.956 -29.6159 -13.538 -29.616 -13.8268 82.5209 -13.5384 82.5215 75.9728 GPRESSURE: 4747400 -344.502 -4.91316 15.264 -4.56584 31.4492 60.2197 63.4848 202.602 129.601 PRESSAVG: 4747400 78.7342 -15.8825 -10.1314 -15.8824 -64.7601 55.5973 -10.1314 55.5973 19.8752 GPRESSAVG: 4747400 79.2458 -15.8243 -8.61744 -16.0675 -64.9942 56.5342 -8.86425 55.8099 19.1618 TIMING: 4747400 CPU: 13743.9, 0.0029548/step Wall: 13743.9, 0.0029548/step, 0.207328 hours remaining, 212.054688 MB of memory in use. ENERGY: 4747400 731.9812 2042.7743 1949.5122 114.8731 -206211.3887 17718.5341 0.0000 0.0000 34029.8937 -149623.8200 297.1915 -183653.7137 -149534.5588 297.4788 -94.6035 -61.1506 557568.8416 11.2831 11.1378 PRESSURE: 4747600 -127.713 53.713 -185.901 53.7134 31.7089 42.7859 -185.9 42.7862 -231.605 GPRESSURE: 4747600 -164.31 61.4805 -175.407 65.0345 74.7642 -70.1325 -221.816 161.783 -140.709 PRESSAVG: 4747600 -17.1488 18.0129 59.8883 18.0129 -17.4263 12.6402 59.8883 12.6403 35.7968 GPRESSAVG: 4747600 -18.889 18.3236 59.9325 17.053 -15.6757 10.158 56.6844 13.2682 36.1232 TIMING: 4747600 CPU: 13744.5, 0.00290953/step Wall: 13744.5, 0.00290953/step, 0.20399 hours remaining, 212.054688 MB of memory in use. ENERGY: 4747600 749.9059 2033.9556 1951.8122 116.6444 -206536.8346 17864.1353 0.0000 0.0000 34136.6528 -149683.7284 298.1239 -183820.3813 -149585.0214 298.1147 -109.2030 -76.7515 556919.8853 0.4072 0.5195 PRESSURE: 4747800 6.30223 -47.8338 48.0866 -47.8337 3.72191 -25.7484 48.0861 -25.7494 -258.623 GPRESSURE: 4747800 43.4303 -83.6417 59.6544 -98.0049 -52.3059 -89.8731 23.32 52.7287 -137.205 PRESSAVG: 4747800 -1.15863 -33.2945 44.3728 -33.2945 -16.4629 14.2937 44.3729 14.2937 28.8756 GPRESSAVG: 4747800 -0.805187 -34.1971 42.0971 -31.3201 -17.7982 16.0658 44.5327 13.595 30.1102 TIMING: 4747800 CPU: 13745.1, 0.00290689/step Wall: 13745.1, 0.00290688/step, 0.203643 hours remaining, 212.054688 MB of memory in use. ENERGY: 4747800 746.9163 2052.4061 1944.8614 116.9927 -206459.4157 17871.5040 0.0000 0.0000 34225.2818 -149501.4534 298.8979 -183726.7352 -149407.5154 298.2044 -82.8662 -48.6934 558031.5657 3.7514 3.8356 PRESSURE: 4748000 63.3933 33.5401 -56.1334 33.5416 -131.065 141.953 -56.1331 141.953 -69.931 GPRESSURE: 4748000 127.837 -46.7171 -51.9928 87.6604 -124.453 137.914 21.9693 137.319 -50.758 PRESSAVG: 4748000 31.2099 4.82259 37.5728 4.82256 7.43958 90.1048 37.5727 90.1048 -88.3948 GPRESSAVG: 4748000 32.2926 5.32301 40.7366 3.07889 7.47364 90.0178 37.4984 90.9304 -89.4535 TIMING: 4748000 CPU: 13745.7, 0.00288601/step Wall: 13745.7, 0.00288601/step, 0.20202 hours remaining, 212.054688 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: 4748000 727.2694 2113.6310 1944.2997 113.7386 -206264.8718 17749.8053 0.0000 0.0000 34167.3121 -149448.8157 298.3916 -183616.1278 -149356.1811 298.6769 -45.8675 -15.7915 557569.6220 -16.5818 -16.5624 PRESSURE: 4748200 55.6824 -14.8692 45.5249 -14.8681 155.78 64.6705 45.5258 64.6705 0.736121 GPRESSURE: 4748200 118.901 53.1492 30.1124 71.0739 220.248 86.8371 120.689 121.437 -19.2724 PRESSAVG: 4748200 22.0872 -18.5173 27.6366 -18.5173 36.7796 -26.5535 27.6365 -26.5536 -18.9048 GPRESSAVG: 4748200 21.8456 -19.112 27.2762 -17.2433 37.1809 -26.0703 25.6562 -26.2786 -19.2935 TIMING: 4748200 CPU: 13746.3, 0.0028992/step Wall: 13746.3, 0.0028992/step, 0.202783 hours remaining, 212.054688 MB of memory in use. ENERGY: 4748200 720.6031 2161.7296 1915.9525 115.2897 -206391.3338 17908.7595 0.0000 0.0000 34167.8445 -149401.1549 298.3963 -183568.9993 -149307.2763 299.0978 70.7327 106.6256 557608.8847 13.3207 13.2444 LDB: ============= START OF LOAD BALANCING ============== 13749.6 LDB: ============== END OF LOAD BALANCING =============== 13749.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13749.6 LDB: ============= START OF LOAD BALANCING ============== 13749.9 LDB: Largest compute 4773 load 0.026528 is 22.5% of average load 0.118064 LDB: Average compute 0.001734 is 1.5% of average load 0.118064 LDB: TIME 13749.9 LOAD: AVG 0.118064 MAX 0.180957 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.02 MB LDB: TIME 13749.9 LOAD: AVG 0.118064 MAX 0.180957 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.02 MB LDB: TIME 13749.9 LOAD: AVG 0.118064 MAX 0.180957 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13749.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13749.9 PRESSURE: 4748400 -185.576 119.191 -51.1329 119.191 -29.7275 -107.207 -51.1336 -107.208 443.463 GPRESSURE: 4748400 -180.917 82.7791 -56.3361 131.605 -4.87249 -98.1104 -93.5902 -110.824 510.171 PRESSAVG: 4748400 -31.3998 41.1223 -31.8015 41.1222 43.0158 -23.5193 -31.8015 -23.5193 2.28168 GPRESSAVG: 4748400 -32.4103 43.2225 -33.1311 40.2976 42.932 -26.3779 -28.4953 -23.563 3.51919 TIMING: 4748400 CPU: 13746.8, 0.0029673/step Wall: 13746.8, 0.0029673/step, 0.207381 hours remaining, 209.875000 MB of memory in use. ENERGY: 4748400 727.7472 2088.2906 1941.8062 109.1052 -206317.9284 17838.4492 0.0000 0.0000 34279.6381 -149332.8918 299.3726 -183612.5299 -149237.2428 299.3668 76.0532 108.1270 557320.5428 4.6326 4.6803 PRESSURE: 4748600 91.5875 -72.5554 -98.2866 -72.556 -62.0526 -155.36 -98.2855 -155.361 56.5293 GPRESSURE: 4748600 126.862 -74.2168 -131.467 -12.1331 -44.8864 -102.691 -66.2295 -179.15 99.0261 PRESSAVG: 4748600 -32.2907 -14.3537 -12.0977 -14.3537 -10.9008 -32.61 -12.0977 -32.61 42.1244 GPRESSAVG: 4748600 -31.9437 -16.5976 -10.8181 -12.3771 -10.3864 -32.7193 -13.8519 -32.0724 41.5694 TIMING: 4748600 CPU: 13747.4, 0.00290679/step Wall: 13747.4, 0.00290679/step, 0.202991 hours remaining, 210.078125 MB of memory in use. ENERGY: 4748600 740.6423 2137.5480 1917.7157 118.5668 -206410.8346 17836.6083 0.0000 0.0000 34154.5334 -149505.2201 298.2800 -183659.7535 -149405.5530 298.6030 28.6881 60.3340 556671.3294 -0.3557 -0.2536 PRESSURE: 4748800 88.9044 -208.964 -93.3792 -208.964 -34.2702 81.4092 -93.3787 81.4086 -176.42 GPRESSURE: 4748800 68.3672 -137.752 -111.957 -212.88 50.5137 157.405 -92.3356 200.624 -151.786 PRESSAVG: 4748800 -27.4617 5.0197 -66.2454 5.01972 35.7856 36.7254 -66.2455 36.7254 -22.8074 GPRESSAVG: 4748800 -27.5292 5.90355 -67.4985 4.80322 36.3329 37.1956 -64.1273 36.3425 -22.7094 TIMING: 4748800 CPU: 13748, 0.00290869/step Wall: 13748, 0.00290869/step, 0.202962 hours remaining, 210.078125 MB of memory in use. ENERGY: 4748800 724.7787 2084.3564 1929.0612 107.6596 -206518.3403 17876.3966 0.0000 0.0000 34301.8272 -149494.2605 299.5664 -183796.0877 -149399.3277 298.5466 -40.5951 -10.9683 557606.2428 -4.8278 -4.6352 PRESSURE: 4749000 115.128 100.331 154.872 100.331 68.1393 164.343 154.874 164.344 48.2388 GPRESSURE: 4749000 139.452 153.098 169.032 108.696 113.053 153.618 122.321 169.095 83.2302 PRESSAVG: 4749000 51.9213 16.1268 -6.9764 16.1267 18.9813 18.0369 -6.9764 18.0369 -62.9608 GPRESSAVG: 4749000 52.0942 15.5581 -6.73007 15.221 19.9678 19.6995 -7.60121 18.2288 -63.7375 TIMING: 4749000 CPU: 13748.6, 0.00294011/step Wall: 13748.6, 0.00294011/step, 0.204991 hours remaining, 210.078125 MB of memory in use. ENERGY: 4749000 750.7966 2134.7158 1961.4509 109.5744 -206739.5347 17983.4482 0.0000 0.0000 34263.3304 -149536.2184 299.2302 -183799.5488 -149443.2000 298.7334 77.1688 111.9116 555553.9664 2.6473 2.7748 PRESSURE: 4749200 -222.445 -57.242 54.412 -57.2414 -29.5072 34.0581 54.4121 34.0569 -123.466 GPRESSURE: 4749200 -223.522 -67.6357 63.2383 -62.6099 14.2516 0.459261 30.9384 12.854 -82.0144 PRESSAVG: 4749200 -7.60584 4.29393 2.65373 4.29404 31.8575 10.9734 2.65375 10.9732 -22.8203 GPRESSAVG: 4749200 -7.66705 4.28462 2.57829 4.90708 30.9464 10.6986 2.62885 8.74101 -21.858 TIMING: 4749200 CPU: 13749.2, 0.00293416/step Wall: 13749.2, 0.00293416/step, 0.204413 hours remaining, 210.078125 MB of memory in use. ENERGY: 4749200 723.0668 2076.3618 1918.7031 127.4980 -206136.2322 17628.1563 0.0000 0.0000 34037.0699 -149625.3763 297.2542 -183662.4462 -149529.1210 298.5741 -125.1394 -97.0950 556242.7532 0.4771 0.4738 PRESSURE: 4749400 -450.132 27.9256 -170.158 27.9261 -539.857 64.3297 -170.158 64.3296 -287.097 GPRESSURE: 4749400 -351.827 71.9524 -78.2729 9.08677 -536.659 41.5919 -151.706 110.985 -302.146 PRESSAVG: 4749400 -14.7656 27.8321 15.4328 27.8321 41.5926 -23.434 15.4329 -23.4341 -11.3926 GPRESSAVG: 4749400 -14.1649 30.083 14.9454 26.7821 41.0861 -25.1568 15.1338 -22.0132 -11.6596 TIMING: 4749400 CPU: 13749.8, 0.00292877/step Wall: 13749.8, 0.00292877/step, 0.203875 hours remaining, 210.078125 MB of memory in use. ENERGY: 4749400 768.1404 2090.8947 1936.9657 117.2090 -206106.4712 17485.2847 0.0000 0.0000 34116.7512 -149591.2255 297.9501 -183707.9768 -149499.5623 298.5702 -425.6953 -396.8773 560174.6511 5.1448 5.0872 PRESSURE: 4749600 -343.038 78.0699 60.1834 78.0688 91.4002 -157.721 60.1838 -157.721 -157.022 GPRESSURE: 4749600 -229.906 58.5122 82.6188 142.876 70.444 -205.348 20.6544 -87.6892 -143.059 PRESSAVG: 4749600 -28.2576 4.46558 -15.1615 4.46552 11.1671 7.92164 -15.1614 7.92173 -11.0477 GPRESSAVG: 4749600 -28.2979 2.34125 -14.4541 5.07141 10.834 8.04376 -13.6986 7.71831 -10.3336 TIMING: 4749600 CPU: 13750.4, 0.00294687/step Wall: 13750.4, 0.00294687/step, 0.204971 hours remaining, 210.078125 MB of memory in use. ENERGY: 4749600 772.9582 2071.0519 1939.7712 107.9953 -206306.4661 17785.7559 0.0000 0.0000 34301.8600 -149327.0736 299.5667 -183628.9336 -149223.8947 298.8440 -136.2202 -100.8403 557108.2741 -9.3794 -9.2658 PRESSURE: 4749800 -199.363 -20.7536 -10.1229 -20.7541 -52.653 32.0745 -10.121 32.0761 11.1252 GPRESSURE: 4749800 -205.324 29.4591 -17.456 -74.1748 11.3025 49.1981 -2.13279 12.9974 40.7375 PRESSAVG: 4749800 60.9973 -23.5046 -39.3979 -23.5046 3.80086 14.9828 -39.398 14.9829 -64.6185 GPRESSAVG: 4749800 60.1703 -21.5832 -37.3922 -25.1093 4.30096 17.7779 -41.8054 14.4785 -64.6607 TIMING: 4749800 CPU: 13750.9, 0.00291224/step Wall: 13750.9, 0.00291224/step, 0.202401 hours remaining, 210.078125 MB of memory in use. ENERGY: 4749800 755.4146 2097.3875 1944.3476 123.4151 -206300.0920 17763.4894 0.0000 0.0000 34192.5477 -149423.4901 298.6120 -183616.0377 -149329.8966 299.3430 -80.2969 -51.0946 558251.2767 0.0599 -0.0631 PRESSURE: 4750000 10.2115 -55.0878 25.8621 -55.0873 -5.65691 -139.376 25.8623 -139.377 100.087 GPRESSURE: 4750000 11.758 -51.0463 11.3852 -102.762 42.7934 -141.893 51.0433 -103.32 132.351 PRESSAVG: 4750000 -51.5179 -6.16718 -24.0797 -6.16713 -22.6694 28.803 -24.0797 28.803 -1.68781 GPRESSAVG: 4750000 -51.0633 -9.01977 -27.0037 -3.59192 -22.2963 27.8892 -22.6422 27.2359 -2.45482 TIMING: 4750000 CPU: 13751.5, 0.00291865/step Wall: 13751.5, 0.00291865/step, 0.202684 hours remaining, 210.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4750000 750.9712 2075.2947 1938.1058 111.9796 -206494.6413 17950.6857 0.0000 0.0000 34093.4617 -149574.1425 297.7467 -183667.6043 -149480.1989 298.3280 34.8804 62.3007 559027.7059 -25.2917 -25.2715 PRESSURE: 4750200 44.9256 25.6055 -69.6008 25.6045 122.629 -105.008 -69.6012 -105.01 129.732 GPRESSURE: 4750200 54.1741 52.7098 -84.5457 25.6691 107.738 -82.0037 -50.1095 -96.6411 225.464 PRESSAVG: 4750200 61.3523 -14.358 -70.4754 -14.358 -19.7623 40.626 -70.4753 40.626 -22.1459 GPRESSAVG: 4750200 61.2918 -12.6878 -69.588 -15.0173 -20.1981 41.7263 -73.193 41.6895 -21.5021 TIMING: 4750200 CPU: 13752.1, 0.00292417/step Wall: 13752.1, 0.00292417/step, 0.202905 hours remaining, 210.078125 MB of memory in use. ENERGY: 4750200 759.7898 2093.1724 1909.4005 119.5648 -206760.5121 18190.5526 0.0000 0.0000 34272.6510 -149415.3810 299.3116 -183688.0320 -149316.6192 298.3185 99.0955 129.1251 558599.9983 6.4814 6.5305 PRESSURE: 4750400 40.9245 27.9245 -149.878 27.9241 -167.973 108.479 -149.878 108.479 -371.402 GPRESSURE: 4750400 81.7947 65.0076 -158.114 -61.8589 -150.052 106.985 -45.8364 52.6705 -338.34 PRESSAVG: 4750400 -6.09994 110.032 -9.55535 110.032 42.2324 -1.37354 -9.55531 -1.37361 18.15 GPRESSAVG: 4750400 -5.52384 107.703 -9.34272 110.366 43.1153 -4.83433 -6.72564 0.622162 16.7612 TIMING: 4750400 CPU: 13752.7, 0.00293277/step Wall: 13752.7, 0.00293277/step, 0.203339 hours remaining, 210.078125 MB of memory in use. ENERGY: 4750400 716.9211 2123.7192 1951.8771 106.9333 -206269.8410 17664.0370 0.0000 0.0000 34329.3155 -149377.0378 299.8065 -183706.3533 -149276.3818 298.4627 -166.1504 -135.5326 559422.6246 18.0942 18.1175 PRESSURE: 4750600 -287.84 17.9109 -201.074 17.9106 -10.3981 -57.1167 -201.074 -57.116 -189.788 GPRESSURE: 4750600 -229.965 43.9953 -243.618 -42.0755 52.2802 -126.54 -179.277 -46.0231 -216.564 PRESSAVG: 4750600 -25.764 5.30134 -27.0416 5.30139 -26.555 -17.2087 -27.0417 -17.2086 2.88349 GPRESSAVG: 4750600 -26.2257 8.29782 -29.1819 3.52501 -26.644 -15.0039 -27.5348 -17.5339 3.52474 TIMING: 4750600 CPU: 13753.3, 0.00293724/step Wall: 13753.3, 0.00293724/step, 0.203486 hours remaining, 210.078125 MB of memory in use. ENERGY: 4750600 756.2260 2092.1557 1947.8501 119.6771 -206378.1995 17752.2084 0.0000 0.0000 34314.9044 -149395.1779 299.6806 -183710.0823 -149297.9190 299.2305 -162.6752 -131.4164 559809.5049 -16.4785 -16.4483 PRESSURE: 4750800 -420.701 138.329 26.8066 138.328 -129.53 115.211 26.8067 115.21 -368.636 GPRESSURE: 4750800 -396.711 165.315 54.6808 50.0361 -115.427 167.234 43.9743 27.554 -306.093 PRESSAVG: 4750800 -46.3775 11.7373 16.9409 11.7372 71.518 11.0232 16.9409 11.0233 -11.0633 GPRESSAVG: 4750800 -46.3863 10.3873 16.6286 12.302 70.6651 11.0105 17.0116 8.5675 -10.1419 TIMING: 4750800 CPU: 13753.9, 0.0029231/step Wall: 13753.9, 0.0029231/step, 0.202343 hours remaining, 210.078125 MB of memory in use. ENERGY: 4750800 734.8457 2086.6165 1970.4779 101.1967 -205914.6007 17300.4222 0.0000 0.0000 34342.6213 -149378.4204 299.9227 -183721.0417 -149274.3829 298.9393 -306.2891 -272.7437 558865.9995 4.6924 4.7123 PRESSURE: 4751000 -15.1782 114.863 35.2452 114.863 -148.892 5.28938 35.2459 5.28975 20.784 GPRESSURE: 4751000 48.4135 68.2581 76.2578 68.2727 -124.219 63.6619 107.198 19.3966 32.743 PRESSAVG: 4751000 -5.41743 66.666 -36.2618 66.666 -0.082499 75.2439 -36.2618 75.244 -14.0094 GPRESSAVG: 4751000 -4.68578 65.9899 -35.1582 67.7146 0.752097 75.7544 -37.856 77.2067 -15.1826 TIMING: 4751000 CPU: 13754.5, 0.00292417/step Wall: 13754.5, 0.00292417/step, 0.202255 hours remaining, 210.078125 MB of memory in use. ENERGY: 4751000 726.1041 2084.2568 1935.9861 107.3574 -206244.6327 17720.8193 0.0000 0.0000 34260.6965 -149409.4125 299.2072 -183670.1090 -149309.4748 299.0109 -47.7622 -14.3541 557449.7860 -6.5031 -6.3721 PRESSURE: 4751200 -250.978 -48.2182 -31.1245 -48.2188 -56.6456 -210.563 -31.1243 -210.562 -160.417 GPRESSURE: 4751200 -197.813 -44.2172 -53.767 -127.539 -59.4372 -181.924 -62.8132 -265.797 -115.549 PRESSAVG: 4751200 -9.32683 -31.3004 6.34566 -31.3003 20.1278 -7.45645 6.3456 -7.45645 -11.9985 GPRESSAVG: 4751200 -9.47659 -31.5416 5.7978 -30.3242 19.9478 -8.23294 8.67826 -7.03505 -11.6521 TIMING: 4751200 CPU: 13755, 0.00288714/step Wall: 13755, 0.00288714/step, 0.199533 hours remaining, 210.078125 MB of memory in use. ENERGY: 4751200 731.6099 2094.1030 1961.3823 119.4731 -206087.4406 17631.4584 0.0000 0.0000 34213.4527 -149335.9611 298.7946 -183549.4139 -149238.8028 299.2530 -156.0137 -124.2661 556913.2847 -0.3992 -0.3936 PRESSURE: 4751400 -189.859 4.08585 41.1746 4.08608 -45.0096 -31.609 41.1754 -31.6096 -186.556 GPRESSURE: 4751400 -139.241 -7.4209 35.224 34.5039 -9.01547 -86.1056 23.0102 -9.60749 -162.523 PRESSAVG: 4751400 -12.684 -1.25509 -7.24711 -1.25508 12.227 -40.0638 -7.24715 -40.0638 -14.4754 GPRESSAVG: 4751400 -13.0023 -0.00171433 -5.21677 -3.31775 13.0838 -39.1102 -9.14179 -42.2652 -14.1493 TIMING: 4751400 CPU: 13755.6, 0.00291896/step Wall: 13755.6, 0.00291896/step, 0.20157 hours remaining, 210.078125 MB of memory in use. ENERGY: 4751400 711.6422 2058.8011 1970.5142 117.3487 -206104.5105 17712.4065 0.0000 0.0000 34245.4846 -149288.3131 299.0743 -183533.7977 -149190.6408 299.6320 -140.4750 -103.5932 557433.5067 -4.9775 -4.6893 PRESSURE: 4751600 187.841 161.061 40.0751 161.06 70.6148 24.3666 40.0749 24.3672 107.566 GPRESSURE: 4751600 270.452 102.077 20.4042 80.5641 47.4971 55.3966 39.5064 4.81136 145.018 PRESSAVG: 4751600 -44.2407 -7.86637 45.9986 -7.8663 -11.2891 39.8229 45.9985 39.8231 22.8001 GPRESSAVG: 4751600 -42.3224 -7.77479 43.2116 -6.4578 -12.5542 38.879 47.1619 41.4837 21.8491 TIMING: 4751600 CPU: 13756.2, 0.00289829/step Wall: 13756.2, 0.00289829/step, 0.199982 hours remaining, 210.078125 MB of memory in use. ENERGY: 4751600 758.1735 2023.7622 1944.5310 106.6892 -206235.4481 17973.4134 0.0000 0.0000 34220.1072 -149208.7716 298.8527 -183428.8788 -149104.6516 299.7632 122.0072 154.3223 557171.4045 -10.9099 -11.0092 PRESSURE: 4751800 13.2863 43.8293 -233.384 43.8281 430.679 14.693 -233.384 14.6937 -81.6457 GPRESSURE: 4751800 69.1546 81.9384 -209.088 63.6976 427.23 -5.09098 -219.17 -67.9343 -51.6099 PRESSAVG: 4751800 93.5018 -7.30998 -31.0722 -7.30989 -37.0145 37.7038 -31.0722 37.704 8.5488 GPRESSAVG: 4751800 91.8408 -7.37876 -30.5121 -7.0368 -36.3125 38.1076 -30.6589 38.326 9.12455 TIMING: 4751800 CPU: 13756.8, 0.0029121/step Wall: 13756.8, 0.0029121/step, 0.200773 hours remaining, 210.078125 MB of memory in use. ENERGY: 4751800 754.7635 2105.3029 1945.5977 109.4413 -206279.7497 18023.3932 0.0000 0.0000 34129.3802 -149211.8708 298.0604 -183341.2509 -149118.6561 299.3641 120.7732 148.2583 557517.6624 21.6787 21.5509 PRESSURE: 4752000 -208.566 108.856 19.2305 108.856 280.741 -33.4927 19.2298 -33.4939 129.951 GPRESSURE: 4752000 -117.842 70.8403 33.2783 215.361 258.457 -5.05095 91.0999 -18.4814 161.566 PRESSAVG: 4752000 -72.5466 37.8427 35.984 37.8428 37.5425 50.1387 35.984 50.1387 44.2049 GPRESSAVG: 4752000 -72.2381 37.7042 36.6929 36.9684 36.6928 50.7418 36.8939 48.8189 44.967 TIMING: 4752000 CPU: 13757.4, 0.00288835/step Wall: 13757.4, 0.00288835/step, 0.198975 hours remaining, 210.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4752000 737.1293 2034.7047 1950.8562 111.9601 -206559.6169 18107.1308 0.0000 0.0000 34403.8264 -149214.0093 300.4572 -183617.8357 -149112.4756 299.0206 67.3752 100.7269 557696.7922 3.0669 3.1406 PRESSURE: 4752200 183.794 32.4268 0.54606 32.4273 -137.545 111.691 0.545471 111.691 136.47 GPRESSURE: 4752200 238.858 92.727 -47.8927 50.6793 -135.79 34.2003 40.8661 130.333 175.737 PRESSAVG: 4752200 0.169125 63.6477 32.7174 63.6477 -38.6254 15.8054 32.7173 15.8053 41.1064 GPRESSAVG: 4752200 -1.6057 64.1176 34.1078 65.7613 -35.968 14.9611 30.4268 14.8571 40.4077 TIMING: 4752200 CPU: 13757.9, 0.00288325/step Wall: 13757.9, 0.00288325/step, 0.198463 hours remaining, 210.078125 MB of memory in use. ENERGY: 4752200 765.6202 2017.3488 1974.5511 112.7573 -206805.4666 18112.4468 0.0000 0.0000 34473.2810 -149349.4614 301.0637 -183822.7424 -149256.4901 299.3999 60.9063 92.9353 557313.9890 0.8834 0.9447 LDB: ============= START OF LOAD BALANCING ============== 13761.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13761.3 LDB: =============== DONE WITH MIGRATION ================ 13761.3 LDB: ============= START OF LOAD BALANCING ============== 13761.6 LDB: Largest compute 4773 load 0.027496 is 23.3% of average load 0.117991 LDB: Average compute 0.001731 is 1.5% of average load 0.117991 LDB: TIME 13761.6 LOAD: AVG 0.117991 MAX 0.178099 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.414 MB LDB: TIME 13761.6 LOAD: AVG 0.117991 MAX 0.178099 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.414 MB LDB: TIME 13761.6 LOAD: AVG 0.117991 MAX 0.178099 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13761.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13761.6 PRESSURE: 4752400 179.955 -21.3759 -158.482 -21.3743 -56.9811 69.0875 -158.481 69.0881 -13.1635 GPRESSURE: 4752400 196.621 -22.477 -100.38 -7.31081 -54.3431 98.9135 -250.706 -31.7969 59.8115 PRESSAVG: 4752400 -22.6576 17.8144 1.93029 17.8145 -2.3742 7.9815 1.93023 7.98161 -2.59802 GPRESSAVG: 4752400 -22.6641 18.4678 1.62329 15.0136 -3.41019 8.60586 2.86755 8.53045 -1.64767 TIMING: 4752400 CPU: 13758.5, 0.00295413/step Wall: 13758.5, 0.00295413/step, 0.203179 hours remaining, 211.664062 MB of memory in use. ENERGY: 4752400 766.7337 2102.8185 1928.7304 112.5708 -206664.7118 18167.4023 0.0000 0.0000 34258.2662 -149328.1899 299.1860 -183586.4560 -149232.2901 298.5346 36.6034 67.3630 557708.5853 -9.2099 -9.2407 PRESSURE: 4752600 209.775 98.2899 -107.949 98.2899 -173.141 63.0644 -107.947 63.0635 -229.813 GPRESSURE: 4752600 209.226 59.8796 -44.5444 188.236 -150.462 132.605 -78.6032 -29.7639 -157.198 PRESSAVG: 4752600 18.6132 8.75568 -62.0832 8.75567 -97.656 1.97157 -62.0833 1.9715 78.7837 GPRESSAVG: 4752600 20.0821 7.04161 -62.0513 9.1254 -98.2674 0.657706 -61.6311 2.7541 78.2293 TIMING: 4752600 CPU: 13759.1, 0.00288314/step Wall: 13759.1, 0.00288314/step, 0.198136 hours remaining, 211.921875 MB of memory in use. ENERGY: 4752600 721.9217 2116.3651 1982.2656 117.0881 -205919.4387 17631.7742 0.0000 0.0000 34202.1621 -149147.8619 298.6960 -183350.0240 -149053.5214 299.5012 -64.3932 -32.8116 557359.0073 -0.0864 0.0147 PRESSURE: 4752800 -42.6807 128.993 7.34797 128.993 87.5247 -58.7798 7.34728 -58.7767 126.982 GPRESSURE: 4752800 -60.2387 164.556 109.843 110.679 182.861 -28.3293 -53.9195 -11.9654 142.409 PRESSAVG: 4752800 6.62255 40.9154 -44.3582 40.9153 -6.39977 32.8766 -44.3581 32.8766 -12.0552 GPRESSAVG: 4752800 6.42056 43.0271 -44.4425 41.4696 -6.27729 34.8988 -44.1444 32.3468 -12.5302 TIMING: 4752800 CPU: 13759.7, 0.0029022/step Wall: 13759.7, 0.0029022/step, 0.199285 hours remaining, 211.921875 MB of memory in use. ENERGY: 4752800 754.9293 2102.4806 1959.5962 111.7081 -206240.2074 17884.1543 0.0000 0.0000 34266.6209 -149160.7180 299.2589 -183427.3389 -149070.6711 299.5960 57.2752 88.3437 555222.5390 -3.9441 -4.1290 PRESSURE: 4753000 99.0983 33.2393 52.3987 33.2377 62.2829 300.693 52.397 300.693 -11.2006 GPRESSURE: 4753000 106.161 35.3867 103.546 -92.9848 121.436 250.342 32.0344 279.34 16.7709 PRESSAVG: 4753000 48.703 -16.3467 -31.5121 -16.3466 -31.5399 -8.20341 -31.5121 -8.20332 -11.7052 GPRESSAVG: 4753000 48.0009 -18.4409 -32.3208 -17.1572 -30.5406 -9.23765 -31.0475 -7.35477 -11.736 TIMING: 4753000 CPU: 13760.3, 0.00289518/step Wall: 13760.3, 0.00289518/step, 0.198641 hours remaining, 211.921875 MB of memory in use. ENERGY: 4753000 764.8783 2062.1578 1954.7353 113.6187 -206043.8024 17800.9344 0.0000 0.0000 34198.5847 -149148.8933 298.6647 -183347.4780 -149052.1488 299.1948 50.0602 81.4561 556887.7564 1.8193 1.9081 PRESSURE: 4753200 89.3992 212.593 61.8313 212.594 -47.9701 -21.3437 61.8304 -21.344 134.186 GPRESSURE: 4753200 179.854 272.621 95.9976 248.793 43.3412 -167.997 58.9717 38.0557 53.5859 PRESSAVG: 4753200 15.1172 -1.40763 34.1568 -1.40773 -25.1715 -17.3195 34.1568 -17.3195 -2.69119 GPRESSAVG: 4753200 14.8546 -1.42688 35.3951 -2.50088 -24.8389 -16.5327 34.8538 -18.8455 -2.23116 TIMING: 4753200 CPU: 13760.8, 0.00291718/step Wall: 13760.8, 0.00291718/step, 0.199989 hours remaining, 212.179688 MB of memory in use. ENERGY: 4753200 731.5773 2121.5965 1965.6617 126.0008 -206288.3541 17894.2517 0.0000 0.0000 34241.6305 -149207.6355 299.0407 -183449.2660 -149110.4487 298.6463 58.5384 92.2604 555376.0952 -4.2485 -4.0718 PRESSURE: 4753400 180.303 177.049 -24.0549 177.048 103.5 -2.36604 -24.0552 -2.36406 190.45 GPRESSURE: 4753400 177.879 141.851 -32.239 169.113 147.223 25.5251 -45.6515 -1.91464 245.375 PRESSAVG: 4753400 9.49118 27.9017 10.4644 27.9017 -37.408 -38.202 10.4644 -38.2021 36.5083 GPRESSAVG: 4753400 9.73841 28.2844 10.0244 30.1273 -37.7338 -38.1456 9.09699 -36.4357 36.4321 TIMING: 4753400 CPU: 13761.4, 0.00293666/step Wall: 13761.4, 0.00293666/step, 0.201161 hours remaining, 212.179688 MB of memory in use. ENERGY: 4753400 720.6442 2061.4320 1947.9963 101.5673 -206230.8854 17926.0564 0.0000 0.0000 34351.5226 -149121.6666 300.0004 -183473.1892 -149021.7002 299.3872 158.0842 190.1589 556163.3093 2.8638 2.8122 PRESSURE: 4753600 242.956 42.5295 -65.7995 42.5294 249.611 -232.002 -65.7988 -232.001 36.5926 GPRESSURE: 4753600 276.797 -26.8514 -42.4217 119.213 278.424 -231.802 -26.689 -196.126 61.0289 PRESSAVG: 4753600 11.3833 -33.0731 -12.2327 -33.0732 2.47695 -75.3053 -12.2327 -75.3054 12.3165 GPRESSAVG: 4753600 12.5558 -33.5682 -13.1567 -32.5251 1.66919 -74.5788 -10.4263 -77.7659 12.2568 TIMING: 4753600 CPU: 13762, 0.00291073/step Wall: 13762, 0.00291073/step, 0.199223 hours remaining, 212.179688 MB of memory in use. ENERGY: 4753600 758.6395 2113.4050 1956.7017 118.2746 -206585.8385 18280.3827 0.0000 0.0000 34288.8139 -149069.6211 299.4527 -183358.4350 -148975.2981 299.5733 176.3866 205.4167 558110.9658 8.7256 8.8273 PRESSURE: 4753800 168.778 32.726 0.815515 32.7259 2.25313 -75.4961 0.816145 -75.4982 -57.1839 GPRESSURE: 4753800 238.147 0.906128 11.829 73.2084 -24.7511 -49.1521 50.5686 -59.6817 -1.06171 PRESSAVG: 4753800 -12.6352 -35.6706 -18.2506 -35.6705 30.1987 -23.3486 -18.2507 -23.3483 -7.26526 GPRESSAVG: 4753800 -12.5704 -34.6723 -15.3414 -36.6582 29.3076 -24.98 -21.5801 -21.6444 -6.4647 TIMING: 4753800 CPU: 13762.6, 0.00291902/step Wall: 13762.6, 0.00291902/step, 0.199629 hours remaining, 212.179688 MB of memory in use. ENERGY: 4753800 725.8410 2109.4321 1956.0782 117.7207 -206139.1491 17845.3263 0.0000 0.0000 34469.9395 -148914.8114 301.0346 -183384.7509 -148817.8609 299.5840 37.9492 70.7781 558388.2021 3.4327 3.4242 PRESSURE: 4754000 -8.79262 2.19982 -92.7855 2.19896 -117.462 30.0977 -92.7852 30.0981 -25.7357 GPRESSURE: 4754000 -4.22824 -29.5674 -75.3132 -2.48572 -88.0629 86.8576 -81.0319 78.9052 35.4467 PRESSAVG: 4754000 -24.2478 -26.3897 58.081 -26.3898 -8.51891 23.0106 58.081 23.0106 39.0098 GPRESSAVG: 4754000 -24.0544 -28.4071 58.003 -25.803 -7.87656 24.5012 58.0867 23.3541 37.8481 TIMING: 4754000 CPU: 13763.2, 0.00289116/step Wall: 13763.2, 0.00289116/step, 0.197563 hours remaining, 212.179688 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: 4754000 757.9442 2001.5167 1969.2918 105.1563 -206168.5936 17766.3273 0.0000 0.0000 34554.5763 -149013.7811 301.7737 -183568.3574 -148909.0385 300.3727 -50.6634 -18.9481 559015.6163 2.0810 1.9724 PRESSURE: 4754200 -24.3826 176.845 -122.218 176.843 8.98956 -44.303 -122.219 -44.3019 80.9116 GPRESSURE: 4754200 -8.4862 163.396 -109.442 176.68 86.0161 -119.971 -133.108 74.6027 92.2702 PRESSAVG: 4754200 10.567 -42.6886 9.85903 -42.6886 20.4487 -7.94417 9.85903 -7.94428 20.1244 GPRESSAVG: 4754200 10.2153 -39.5067 10.0867 -43.9703 20.9966 -8.3563 10.2808 -9.74253 20.1391 TIMING: 4754200 CPU: 13763.8, 0.00289454/step Wall: 13763.8, 0.00289454/step, 0.197633 hours remaining, 212.179688 MB of memory in use. ENERGY: 4754200 772.6586 2012.6492 1974.6575 123.2571 -205931.8276 17724.8502 0.0000 0.0000 34360.7534 -148963.0016 300.0810 -183323.7551 -148865.0407 300.6968 21.8395 56.6001 558614.8186 17.0467 17.1170 PRESSURE: 4754400 -140.285 -86.055 79.1019 -86.0546 -185.393 -101.84 79.101 -101.838 -111.494 GPRESSURE: 4754400 -155.973 -28.6579 45.0039 -62.5754 -163.569 -213.088 43.1756 -59.5693 -25.8448 PRESSAVG: 4754400 50.517 12.6315 10.7062 12.6315 -9.92451 20.3647 10.7061 20.3648 -49.2337 GPRESSAVG: 4754400 50.0936 9.75933 8.8542 12.5139 -8.99612 19.0478 11.4981 21.6028 -49.4838 TIMING: 4754400 CPU: 13764.3, 0.00290917/step Wall: 13764.3, 0.00290917/step, 0.19847 hours remaining, 212.179688 MB of memory in use. ENERGY: 4754400 758.7870 2070.9166 1957.7227 118.8492 -206041.5734 17724.3719 0.0000 0.0000 34273.3089 -149137.6170 299.3173 -183410.9260 -149042.0178 299.3513 -145.7238 -115.1289 559255.3717 -2.8804 -2.7954 PRESSURE: 4754600 -173.689 134.494 62.623 134.495 35.4973 -100.563 62.624 -100.561 -54.2329 GPRESSURE: 4754600 -190.602 65.735 176.317 98.9991 75.2364 -125.084 -14.4175 -79.6653 12.3638 PRESSAVG: 4754600 -16.0202 -0.732581 -10.3908 -0.73262 30.0295 -32.544 -10.3908 -32.544 70.8395 GPRESSAVG: 4754600 -15.9434 1.19652 -8.3728 -0.478222 28.9048 -33.0325 -11.0302 -33.1443 72.1095 TIMING: 4754600 CPU: 13764.9, 0.00290027/step Wall: 13764.9, 0.00290027/step, 0.197702 hours remaining, 212.179688 MB of memory in use. ENERGY: 4754600 732.7960 2057.5922 1971.1859 122.2766 -206105.9521 17843.5597 0.0000 0.0000 34100.0293 -149278.5124 297.8040 -183378.5416 -149176.5422 299.3567 -64.1416 -34.3340 558484.5897 28.2830 28.3570 PRESSURE: 4754800 102.759 87.2647 61.6578 87.2656 -186.882 124.207 61.6568 124.206 151.756 GPRESSURE: 4754800 127.262 38.2057 42.7937 143.102 -144.976 47.9102 102.451 157.276 183.332 PRESSAVG: 4754800 -75.5857 14.8248 17.5451 14.8248 33.1565 -21.7974 17.5451 -21.7975 29.6822 GPRESSAVG: 4754800 -74.4033 11.8874 16.942 15.3782 31.8215 -20.081 16.6578 -23.0561 29.9671 TIMING: 4754800 CPU: 13765.5, 0.00292508/step Wall: 13765.5, 0.00292508/step, 0.199231 hours remaining, 212.179688 MB of memory in use. ENERGY: 4754800 748.0713 1974.7577 1953.0694 111.0594 -206315.5813 17852.5837 0.0000 0.0000 34113.3983 -149562.6415 297.9208 -183676.0398 -149459.7523 298.2647 22.5445 55.2062 557683.5751 -4.2490 -4.2049 PRESSURE: 4755000 -364.526 37.7615 41.1582 37.7612 -90.1985 -18.5072 41.158 -18.5077 -224.466 GPRESSURE: 4755000 -331.622 89.417 99.5666 -13.6701 -59.594 -88.5998 -39.7041 -24.825 -178.258 PRESSAVG: 4755000 -9.36997 9.99326 -16.3082 9.99328 -0.188293 6.68747 -16.3081 6.68752 16.6218 GPRESSAVG: 4755000 -9.75731 13.4502 -16.3811 9.641 0.427466 4.54024 -15.4629 8.57143 15.7875 TIMING: 4755000 CPU: 13766.1, 0.00290541/step Wall: 13766.1, 0.00290541/step, 0.197729 hours remaining, 212.179688 MB of memory in use. ENERGY: 4755000 725.6854 2031.8769 1954.4011 120.6349 -205884.1483 17529.9844 0.0000 0.0000 34116.2264 -149405.3390 297.9455 -183521.5654 -149304.4007 297.7662 -226.3968 -189.8245 558572.8629 2.3545 2.1525 PRESSURE: 4755200 -343.542 -42.4533 54.8545 -42.4523 -67.9639 34.6283 54.8551 34.6279 -37.2867 GPRESSURE: 4755200 -308.396 -14.6038 151.49 -63.8145 14.7121 22.1421 57.0309 79.0292 -56.0953 PRESSAVG: 4755200 -6.49558 1.40874 75.2274 1.4087 29.5149 34.8288 75.2273 34.8288 -21.0183 GPRESSAVG: 4755200 -7.15694 -1.49812 73.2991 1.99888 30.1732 36.1034 76.9615 35.6467 -21.219 TIMING: 4755200 CPU: 13766.7, 0.00290996/step Wall: 13766.7, 0.00290996/step, 0.197877 hours remaining, 212.179688 MB of memory in use. ENERGY: 4755200 719.7473 2110.4453 1938.3658 120.3473 -206278.9545 17700.4114 0.0000 0.0000 34211.5887 -149478.0488 298.7783 -183689.6375 -149382.3046 298.2743 -149.5976 -116.5932 557850.1029 0.6670 0.5991 PRESSURE: 4755400 -347.121 -44.5915 -12.8093 -44.5916 -264.142 -7.65868 -12.8096 -7.65947 -29.2152 GPRESSURE: 4755400 -300.33 -45.531 -52.8594 -106.753 -216.828 -25.8046 32.6413 -30.9568 -19.5866 PRESSAVG: 4755400 -22.5041 -15.0581 2.01943 -15.058 49.0926 19.4241 2.01943 19.4243 -40.0666 GPRESSAVG: 4755400 -22.6703 -12.0081 0.695297 -15.7263 49.2308 20.0566 4.7423 15.9995 -39.8418 TIMING: 4755400 CPU: 13767.2, 0.00290046/step Wall: 13767.2, 0.00290046/step, 0.19707 hours remaining, 212.179688 MB of memory in use. ENERGY: 4755400 768.7922 2067.4789 1944.5950 105.8388 -206285.2989 17702.3436 0.0000 0.0000 34353.2414 -149343.0090 300.0154 -183696.2504 -149243.8032 299.1499 -213.4926 -178.9150 558001.2853 -4.4927 -4.4271 PRESSURE: 4755600 -165.374 48.2566 220.882 48.2571 190.807 -50.6324 220.882 -50.6314 -131.193 GPRESSURE: 4755600 -97.5396 67.8778 133.208 27.392 197.403 -28.0852 200.658 -24.4823 -111.699 PRESSAVG: 4755600 -110.353 -54.4342 -9.71983 -54.4343 97.189 0.873579 -9.71976 0.873716 43.7552 GPRESSAVG: 4755600 -109.826 -56.0308 -8.6257 -52.3434 95.4881 0.642188 -10.394 4.64035 45.1588 TIMING: 4755600 CPU: 13767.8, 0.00290715/step Wall: 13767.8, 0.00290715/step, 0.197363 hours remaining, 212.179688 MB of memory in use. ENERGY: 4755600 753.2718 2081.4103 1945.6488 114.9692 -206472.8395 17838.6492 0.0000 0.0000 34263.2457 -149475.6445 299.2294 -183738.8902 -149381.7362 299.1202 -35.2534 -3.9452 556067.6315 10.1971 10.2736 PRESSURE: 4755800 -304.921 21.9007 129.695 21.9013 -325.651 -53.4057 129.695 -53.4056 54.3006 GPRESSURE: 4755800 -271.03 28.359 107.674 7.00503 -285.156 -48.4472 58.709 6.42722 75.8793 PRESSAVG: 4755800 -37.6025 0.409046 -17.9593 0.409092 43.8501 35.0708 -17.9592 35.0708 22.3001 GPRESSAVG: 4755800 -38.4831 0.089521 -15.5111 -0.143364 45.0615 35.9003 -21.3613 32.95 21.8496 TIMING: 4755800 CPU: 13768.4, 0.0029037/step Wall: 13768.4, 0.0029037/step, 0.196967 hours remaining, 212.179688 MB of memory in use. ENERGY: 4755800 742.8599 2055.8097 1937.6018 134.0999 -206001.2289 17560.3446 0.0000 0.0000 34137.3442 -149433.1690 298.1299 -183570.5132 -149333.3497 298.8751 -192.0905 -160.1022 556236.9889 9.5159 9.4760 PRESSURE: 4756000 178.499 -28.3638 -78.4155 -28.3642 75.1224 189.516 -78.4168 189.516 -163.318 GPRESSURE: 4756000 212.94 -12.979 -148.372 -16.0456 122.403 243.692 -6.87257 123.528 -156.98 PRESSAVG: 4756000 -27.1522 52.7261 -41.4323 52.7261 -15.1921 -11.5029 -41.4324 -11.5029 45.2377 GPRESSAVG: 4756000 -27.9081 54.126 -43.2469 51.1967 -14.1387 -12.0583 -39.6862 -10.5346 44.7281 TIMING: 4756000 CPU: 13769, 0.00288307/step Wall: 13769, 0.00288307/step, 0.195408 hours remaining, 212.179688 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: 4756000 782.2101 2093.2344 1961.9369 120.8600 -206289.4890 17861.3533 0.0000 0.0000 34132.1911 -149337.7032 298.0849 -183469.8943 -149238.8644 298.6454 30.1014 59.4543 556993.0150 0.9644 0.8938 PRESSURE: 4756200 -163.308 6.7677 -137.319 6.7669 214.688 115.262 -137.319 115.262 139.702 GPRESSURE: 4756200 -111.799 22.0341 -53.1482 40.246 217.935 110.561 -155.51 40.0582 180.235 PRESSAVG: 4756200 -1.57192 -5.89517 -23.4386 -5.89519 -14.772 28.4815 -23.4387 28.4814 21.1838 GPRESSAVG: 4756200 -0.526956 -5.61773 -24.6346 -5.38582 -14.923 26.1327 -22.1526 27.3025 20.2396 TIMING: 4756200 CPU: 13769.6, 0.00289987/step Wall: 13769.6, 0.00289987/step, 0.196386 hours remaining, 212.179688 MB of memory in use. ENERGY: 4756200 726.2330 2088.5310 1989.4914 117.6210 -206426.5558 17986.2007 0.0000 0.0000 34207.9187 -149310.5602 298.7463 -183518.4788 -149216.0241 299.6013 63.6939 95.4569 556993.7575 1.6133 1.5965 LDB: ============= START OF LOAD BALANCING ============== 13772.9 LDB: ============== END OF LOAD BALANCING =============== 13772.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13772.9 LDB: ============= START OF LOAD BALANCING ============== 13773.2 LDB: Largest compute 4773 load 0.028323 is 24.0% of average load 0.117935 LDB: Average compute 0.001731 is 1.5% of average load 0.117935 LDB: TIME 13773.2 LOAD: AVG 0.117935 MAX 0.177633 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.207 MB LDB: TIME 13773.2 LOAD: AVG 0.117935 MAX 0.177633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.445 MB LDB: TIME 13773.2 LOAD: AVG 0.117935 MAX 0.177633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13773.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13773.2 PRESSURE: 4756400 -271.029 -115.329 -23.6399 -115.33 -26.4185 111.588 -23.6411 111.59 -141.191 GPRESSURE: 4756400 -263.79 -73.4392 -123.984 -130.96 11.3723 98.675 -33.8446 116.17 -83.3999 PRESSAVG: 4756400 -44.4174 -4.46736 -13.2154 -4.46738 37.6862 26.7276 -13.2154 26.7276 3.32013 GPRESSAVG: 4756400 -44.9004 -5.04544 -11.531 -4.53931 37.0222 28.9494 -15.5243 25.2568 4.11277 TIMING: 4756400 CPU: 13770.1, 0.00293556/step Wall: 13770.1, 0.00293556/step, 0.198639 hours remaining, 213.496094 MB of memory in use. ENERGY: 4756400 736.3147 2072.6127 1933.0202 120.8003 -205862.8079 17549.5172 0.0000 0.0000 34099.7441 -149350.7988 297.8015 -183450.5429 -149253.7628 298.6628 -146.2127 -111.9391 557682.1252 -1.1370 -1.2552 PRESSURE: 4756600 117.653 36.516 48.8696 36.5171 -249.585 132.721 48.8692 132.721 234.248 GPRESSURE: 4756600 121.181 -72.2686 -11.5536 44.9794 -202.979 99.6844 87.4335 105.088 275.553 PRESSAVG: 4756600 -21.4077 -22.317 43.0301 -22.3169 39.3859 57.1123 43.0301 57.1124 -6.3211 GPRESSAVG: 4756600 -22.2244 -22.6281 44.8584 -23.4171 38.7852 56.2664 44.7806 60.0338 -5.112 TIMING: 4756600 CPU: 13770.7, 0.00292989/step Wall: 13770.7, 0.00292989/step, 0.198093 hours remaining, 213.738281 MB of memory in use. ENERGY: 4756600 755.1325 2114.9853 1904.2105 128.6694 -206204.9645 17793.9163 0.0000 0.0000 34046.4103 -149461.6401 297.3358 -183508.0504 -149363.4422 298.9942 34.1051 64.5850 555595.3283 3.8857 3.8163 PRESSURE: 4756800 126.945 -135.808 -56.8768 -135.809 -188.079 6.61808 -56.8772 6.61792 88.8 GPRESSURE: 4756800 192.331 -110.741 -25.1145 -172.121 -127.507 112.567 -68.3874 -18.2944 65.5732 PRESSAVG: 4756800 -4.12144 -20.4882 -46.3075 -20.4883 -34.7005 23.2848 -46.3076 23.2848 34.1178 GPRESSAVG: 4756800 -2.608 -22.0317 -47.6646 -18.5789 -35.0796 24.3464 -47.5628 22.6844 32.8009 TIMING: 4756800 CPU: 13771.3, 0.00289543/step Wall: 13771.3, 0.00289543/step, 0.195603 hours remaining, 213.738281 MB of memory in use. ENERGY: 4756800 732.7002 2072.6326 1947.1336 108.0074 -206522.7471 17900.8193 0.0000 0.0000 34381.6640 -149379.7901 300.2636 -183761.4540 -149287.9137 298.8895 9.2222 43.4659 556981.4638 -1.5680 -1.6289 PRESSURE: 4757000 -108.17 157.105 111.426 157.105 63.0751 -135.904 111.426 -135.904 -330.102 GPRESSURE: 4757000 -6.40619 187.828 151.497 119.601 33.4682 -122.209 86.3359 -117.135 -300.431 PRESSAVG: 4757000 39.3058 -3.03258 14.6177 -3.03268 -56.287 -7.14002 14.6177 -7.1401 2.97487 GPRESSAVG: 4757000 37.43 -0.389716 13.979 -4.24082 -56.0893 -7.05603 14.6097 -8.32471 4.4725 TIMING: 4757000 CPU: 13771.9, 0.00289872/step Wall: 13771.9, 0.00289872/step, 0.195664 hours remaining, 213.738281 MB of memory in use. ENERGY: 4757000 751.5844 2020.0030 1969.9665 122.5926 -206634.1405 17951.1594 0.0000 0.0000 34220.5753 -149598.2593 298.8568 -183818.8345 -149501.0850 298.2151 -125.0659 -91.1229 557138.3682 -4.6688 -4.7289 PRESSURE: 4757200 -130.668 -71.3779 38.2713 -71.3773 -77.4128 -50.988 38.2701 -50.9895 -126.068 GPRESSURE: 4757200 -70.4803 -69.7053 64.7778 3.85068 -61.0705 -60.7508 6.88659 -2.32345 -103.742 PRESSAVG: 4757200 40.8987 -47.06 2.46564 -47.0599 39.9442 -14.8686 2.46562 -14.8686 -17.0693 GPRESSAVG: 4757200 41.9033 -49.6099 3.34329 -46.432 40.59 -14.2972 2.14479 -13.7531 -19.1774 TIMING: 4757200 CPU: 13772.5, 0.00288898/step Wall: 13772.5, 0.00288898/step, 0.194846 hours remaining, 213.738281 MB of memory in use. ENERGY: 4757200 752.4260 2108.5808 1952.4119 103.5412 -206343.5073 17668.6038 0.0000 0.0000 34071.0121 -149686.9314 297.5506 -183757.9435 -149598.8306 297.8115 -111.3830 -78.4310 555846.3317 21.2579 21.1053 PRESSURE: 4757400 102.985 10.9051 -68.9977 10.9058 207.963 -23.3063 -68.9986 -23.3048 138.38 GPRESSURE: 4757400 129.989 37.783 1.75863 84.1074 270.699 -44.1255 -40.9871 -62.4666 156.247 PRESSAVG: 4757400 44.5565 16.0335 -9.69478 16.0335 -30.8819 -70.7759 -9.69485 -70.7758 36.8137 GPRESSAVG: 4757400 44.0355 19.0022 -10.4083 17.0878 -31.5813 -72.1127 -8.70191 -69.6392 38.1609 TIMING: 4757400 CPU: 13773, 0.00289945/step Wall: 13773, 0.00289945/step, 0.195391 hours remaining, 213.738281 MB of memory in use. ENERGY: 4757400 732.1478 2054.6150 1950.1538 100.6047 -206499.3155 18023.8345 0.0000 0.0000 34230.3430 -149407.6167 298.9421 -183637.9597 -149310.6409 298.4923 149.7759 185.6450 555150.1980 16.8294 16.8717 PRESSURE: 4757600 13.4808 66.2675 249.526 66.268 99.972 39.0152 249.528 39.0154 -102.725 GPRESSURE: 4757600 77.2387 39.4708 217.061 44.0461 73.151 54.5602 257.006 70.1806 -56.8783 PRESSAVG: 4757600 30.1645 -5.23317 6.67981 -5.23319 48.9508 25.8886 6.67986 25.8885 -34.6617 GPRESSAVG: 4757600 31.3313 -5.90179 6.53333 -6.40144 48.8984 25.7486 6.74245 24.8033 -35.8204 TIMING: 4757600 CPU: 13773.6, 0.00287916/step Wall: 13773.6, 0.00287916/step, 0.193864 hours remaining, 213.738281 MB of memory in use. ENERGY: 4757600 759.2497 2096.6979 1923.0768 114.2294 -206413.1664 17889.9619 0.0000 0.0000 34373.7349 -149256.2158 300.1944 -183629.9506 -149156.2355 299.4316 3.5760 31.1705 558144.6610 14.8179 14.8031 PRESSURE: 4757800 42.0091 111.715 135.859 111.714 61.3955 54.0939 135.86 54.0934 -303.364 GPRESSURE: 4757800 109.845 17.7534 119.171 -1.52215 77.8267 68.9405 144.729 -5.79591 -277.132 PRESSAVG: 4757800 22.9088 3.72759 38.1195 3.72759 -46.0511 5.81868 38.1195 5.81868 34.2934 GPRESSAVG: 4757800 23.0323 2.62816 39.4905 1.93698 -46.636 7.57374 36.8988 6.08274 34.7771 TIMING: 4757800 CPU: 13774.2, 0.00288429/step Wall: 13774.2, 0.00288429/step, 0.194049 hours remaining, 213.738281 MB of memory in use. ENERGY: 4757800 743.6076 2100.3176 1947.7126 115.6316 -206385.5045 17797.6312 0.0000 0.0000 34179.2654 -149501.3386 298.4960 -183680.6040 -149402.4881 299.0398 -66.6533 -29.8201 556666.1339 3.7170 3.7245 PRESSURE: 4758000 -193.428 -87.9328 -122.801 -87.9336 -237.909 -25.3406 -122.801 -25.3413 58.3312 GPRESSURE: 4758000 -144.832 -27.2817 -104.742 -64.0644 -195.224 -25.2733 -138.727 -136.774 60.3073 PRESSAVG: 4758000 7.38478 -25.7186 19.6336 -25.7186 9.32215 -6.47747 19.6336 -6.47733 -20.7289 GPRESSAVG: 4758000 6.00633 -23.0344 20.9003 -27.3955 9.121 -7.07773 19.7322 -8.33796 -19.6956 TIMING: 4758000 CPU: 13774.8, 0.00289186/step Wall: 13774.8, 0.00289186/step, 0.194397 hours remaining, 213.738281 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: 4758000 766.9406 2087.6352 1955.7718 117.2023 -206304.3760 17555.9769 0.0000 0.0000 34232.6189 -149588.2302 298.9620 -183820.8492 -149492.6061 298.1312 -124.3355 -93.2495 554817.6222 -1.3407 -1.5227 PRESSURE: 4758200 -246.096 -94.5856 -89.4517 -94.5852 205.035 48.5979 -89.4515 48.5976 -57.9049 GPRESSURE: 4758200 -172.375 -152.789 -33.1313 -87.1131 204.407 67.1065 -193.905 9.35204 -29.9248 PRESSAVG: 4758200 -50.9251 40.0624 -49.7574 40.0624 71.4803 -30.1604 -49.7574 -30.1603 4.86814 GPRESSAVG: 4758200 -50.5211 39.4593 -51.2491 41.3468 70.6163 -29.647 -49.2406 -29.8957 5.23482 TIMING: 4758200 CPU: 13775.4, 0.00288225/step Wall: 13775.4, 0.00288225/step, 0.193591 hours remaining, 213.738281 MB of memory in use. ENERGY: 4758200 715.6988 2127.1735 1942.2362 110.5879 -206504.1784 17882.3191 0.0000 0.0000 34246.6249 -149479.5380 299.0843 -183726.1630 -149378.5426 298.4716 -32.9885 0.7024 556353.6088 8.4744 8.4433 PRESSURE: 4758400 33.002 -120.852 22.8395 -120.853 -62.6756 87.9945 22.8396 87.9966 -297.685 GPRESSURE: 4758400 73.8324 -119.151 97.9123 -142.801 -63.8835 81.246 -16.5149 46.4351 -243.461 PRESSAVG: 4758400 30.0913 -16.233 -21.8554 -16.233 0.73869 -2.84965 -21.8555 -2.84976 -21.2401 GPRESSAVG: 4758400 29.9427 -17.2726 -17.4573 -16.5091 1.1946 -4.19929 -23.9065 -1.86377 -20.949 TIMING: 4758400 CPU: 13775.9, 0.00287726/step Wall: 13775.9, 0.00287726/step, 0.193096 hours remaining, 213.738281 MB of memory in use. ENERGY: 4758400 776.8210 2053.3668 1951.3771 107.8539 -206177.7060 17785.2917 0.0000 0.0000 33978.9000 -149524.0955 296.7462 -183502.9954 -149430.4038 298.6092 -109.1197 -77.8373 557074.4147 3.1966 3.3961 PRESSURE: 4758600 -195.56 -34.4624 32.0764 -34.4632 -313.608 -0.651651 32.0762 -0.651655 -289.433 GPRESSURE: 4758600 -127.896 -68.1189 108.267 9.05538 -251.491 43.6965 65.5557 25.7035 -329.758 PRESSAVG: 4758600 3.88859 -2.5732 24.1801 -2.57328 1.06383 40.1524 24.18 40.1524 -36.685 GPRESSAVG: 4758600 4.65425 -3.59043 20.9317 -0.994502 0.776084 41.3561 26.2667 40.7622 -36.985 TIMING: 4758600 CPU: 13776.5, 0.00289348/step Wall: 13776.5, 0.00289347/step, 0.194024 hours remaining, 213.738281 MB of memory in use. ENERGY: 4758600 787.7577 2091.0668 1952.8269 111.1030 -206045.9433 17566.1397 0.0000 0.0000 34048.5226 -149488.5267 297.3542 -183537.0494 -149393.2508 298.3508 -266.2003 -236.3817 558649.4193 -10.5775 -10.5182 PRESSURE: 4758800 -115.26 59.759 107.526 59.76 -12.0795 -84.5895 107.527 -84.5886 213.315 GPRESSURE: 4758800 -106.578 64.3388 106.399 89.6676 38.5165 -125.457 90.7547 -114.578 237.785 PRESSAVG: 4758800 -48.5369 -24.0281 -7.22355 -24.028 24.3515 66.5489 -7.22354 66.5489 39.2316 GPRESSAVG: 4758800 -49.0275 -23.5462 -6.81029 -24.1488 25.1821 63.7304 -8.15038 67.639 39.1943 TIMING: 4758800 CPU: 13777.1, 0.00287304/step Wall: 13777.1, 0.00287304/step, 0.192493 hours remaining, 213.738281 MB of memory in use. ENERGY: 4758800 731.6352 2095.0970 1969.2033 119.3897 -206215.3553 17718.9610 0.0000 0.0000 34194.5585 -149386.5107 298.6296 -183581.0692 -149295.9763 298.4282 28.6588 56.5744 557550.9687 5.0154 5.1163 PRESSURE: 4759000 72.5714 80.5335 -153.185 80.5339 -28.8756 142.491 -153.184 142.49 -153.631 GPRESSURE: 4759000 36.018 62.4826 -160.653 119.846 37.1479 135.769 -63.3462 124.264 -95.8531 PRESSAVG: 4759000 -10.0931 -1.19356 -55.6309 -1.19351 56.272 -11.6443 -55.631 -11.6444 -7.31082 GPRESSAVG: 4759000 -10.2143 -0.740124 -56.1266 -3.18748 56.3166 -8.73703 -52.8371 -15.3771 -7.64888 TIMING: 4759000 CPU: 13777.7, 0.00288041/step Wall: 13777.7, 0.00288041/step, 0.192827 hours remaining, 213.738281 MB of memory in use. ENERGY: 4759000 756.6204 2104.1106 1960.2211 114.3866 -206377.3003 17899.2016 0.0000 0.0000 34201.3455 -149341.4145 298.6889 -183542.7600 -149243.9006 298.0439 -36.6450 -7.5624 559819.7868 12.9560 12.8178 PRESSURE: 4759200 23.4978 147.826 1.95872 147.825 -28.5623 -80.0899 1.95881 -80.0894 75.1001 GPRESSURE: 4759200 84.5174 164.867 53.4827 106.367 21.9528 -81.2156 -16.9369 -126.774 61.4055 PRESSAVG: 4759200 -42.0849 -19.2804 17.9783 -19.2804 1.47021 -17.0866 17.9783 -17.0866 7.45593 GPRESSAVG: 4759200 -41.7465 -20.9102 17.5839 -17.3851 1.87643 -17.3171 17.5691 -14.07 6.43309 TIMING: 4759200 CPU: 13778.2, 0.00291925/step Wall: 13778.2, 0.00291925/step, 0.195265 hours remaining, 213.738281 MB of memory in use. ENERGY: 4759200 739.9348 2032.5106 1950.9711 111.3252 -206118.2315 17869.4662 0.0000 0.0000 34107.3952 -149306.6285 297.8684 -183414.0237 -149205.2993 298.4196 23.3452 55.9586 558083.5559 -11.0529 -11.1457 PRESSURE: 4759400 -81.4751 101.808 92.6597 101.806 19.9274 105.481 92.6598 105.482 118.323 GPRESSURE: 4759400 -59.595 83.0358 115.304 162.971 80.0492 91.9079 75.3761 146.819 128.71 PRESSAVG: 4759400 -1.54725 50.6663 12.7598 50.6662 36.0838 50.7515 12.7599 50.7515 2.32902 GPRESSAVG: 4759400 -2.56528 52.4513 13.734 50.6645 36.2323 49.8345 11.3314 50.5029 3.48656 TIMING: 4759400 CPU: 13778.8, 0.00288376/step Wall: 13778.8, 0.00288376/step, 0.192731 hours remaining, 213.738281 MB of memory in use. ENERGY: 4759400 711.1272 2095.1499 1929.1414 118.4355 -205946.6634 17741.3090 0.0000 0.0000 34217.9224 -149133.5781 298.8336 -183351.5005 -149040.9185 299.0498 18.9253 49.7215 558110.8355 12.2885 12.3845 PRESSURE: 4759600 -185.356 -24.6781 78.8025 -24.6772 -47.3526 14.9433 78.8027 14.9444 -230.566 GPRESSURE: 4759600 -144.055 -46.0066 14.1964 104.226 -45.3144 -1.61842 47.2201 -42.675 -175.444 PRESSAVG: 4759600 -13.6193 42.8523 23.3633 42.8523 89.3358 21.5947 23.3633 21.5947 -11.2234 GPRESSAVG: 4759600 -13.32 41.0911 23.1557 44.2449 88.8458 21.9351 21.8215 21.2597 -10.5991 TIMING: 4759600 CPU: 13779.4, 0.00288646/step Wall: 13779.4, 0.00288646/step, 0.192752 hours remaining, 213.738281 MB of memory in use. ENERGY: 4759600 739.0214 2060.6950 1979.1857 109.2954 -205693.8671 17523.2671 0.0000 0.0000 34061.4437 -149220.9588 297.4671 -183282.4025 -149123.1322 298.9678 -154.4246 -121.6045 558669.7023 21.4977 21.6422 PRESSURE: 4759800 -66.9508 219.469 199.39 219.468 230.201 -49.4984 199.39 -49.4981 153.82 GPRESSURE: 4759800 17.5533 153.885 179.931 234.326 210.409 -93.1273 196.515 42.6894 179.338 PRESSAVG: 4759800 -31.5686 5.86232 -6.38273 5.86241 -3.48121 44.113 -6.38273 44.113 69.6363 GPRESSAVG: 4759800 -30.6696 3.5118 -8.30214 6.86105 -3.76905 45.3217 -3.63908 46.0074 69.0151 TIMING: 4759800 CPU: 13780, 0.00288978/step Wall: 13780, 0.00288978/step, 0.192813 hours remaining, 213.738281 MB of memory in use. ENERGY: 4759800 720.1406 2097.9713 1974.4513 106.4591 -206027.4105 17843.2916 0.0000 0.0000 34205.5496 -149079.5470 298.7256 -183285.0966 -148985.5022 298.8112 105.6900 135.7671 557713.2976 11.5289 11.5255 PRESSURE: 4760000 -289.231 85.9103 71.4437 85.9104 -116.975 3.38219 71.4448 3.37999 91.9192 GPRESSURE: 4760000 -221.19 37.4124 29.5796 175.809 -108.138 -33.9609 35.535 -3.17014 113.961 PRESSAVG: 4760000 -74.8157 23.489 -28.893 23.489 61.0656 23.0106 -28.893 23.0106 23.9018 GPRESSAVG: 4760000 -73.8865 25.4768 -27.2612 22.981 59.0587 22.4735 -29.493 20.5513 24.5085 TIMING: 4760000 CPU: 13780.6, 0.00287697/step Wall: 13780.6, 0.00287697/step, 0.191798 hours remaining, 213.738281 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: 4760000 745.2378 2084.7471 1962.2684 120.9445 -205916.9733 17703.0341 0.0000 0.0000 34184.9015 -149115.8398 298.5452 -183300.7413 -149021.9243 299.0826 -104.7624 -71.7893 557943.3310 3.3839 3.2269 PRESSURE: 4760200 -5.91536 39.3734 2.95515 39.3736 51.7314 53.2381 2.95531 53.2376 -55.559 GPRESSURE: 4760200 -14.2551 38.1942 -17.2927 52.9244 135.851 17.2932 29.4561 86.0206 -41.0247 PRESSAVG: 4760200 -5.27848 7.56127 11.4089 7.56131 61.3792 -17.0017 11.4089 -17.0018 -13.4246 GPRESSAVG: 4760200 -7.46526 10.0119 11.6584 6.11147 63.4035 -16.9568 10.7398 -15.222 -13.3969 TIMING: 4760200 CPU: 13781.1, 0.00286436/step Wall: 13781.1, 0.00286436/step, 0.190798 hours remaining, 213.738281 MB of memory in use. ENERGY: 4760200 744.7843 2037.6899 1975.9114 115.6153 -206107.4383 17686.1315 0.0000 0.0000 34401.8713 -149145.4347 300.4401 -183547.3060 -149044.9841 299.5802 -3.2477 26.8571 557274.3861 14.2254 14.1804 LDB: ============= START OF LOAD BALANCING ============== 13784.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13784.5 LDB: =============== DONE WITH MIGRATION ================ 13784.5 LDB: ============= START OF LOAD BALANCING ============== 13784.8 LDB: Largest compute 4773 load 0.027785 is 23.6% of average load 0.117949 LDB: Average compute 0.001729 is 1.5% of average load 0.117949 LDB: TIME 13784.8 LOAD: AVG 0.117949 MAX 0.180788 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.371 MB LDB: TIME 13784.8 LOAD: AVG 0.117949 MAX 0.180788 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.574 MB LDB: TIME 13784.8 LOAD: AVG 0.117949 MAX 0.180788 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.574 MB LDB: ============== END OF LOAD BALANCING =============== 13784.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13784.8 PRESSURE: 4760400 -122.923 -179.174 -174.136 -179.174 -131.79 25.5182 -174.136 25.5181 102.818 GPRESSURE: 4760400 -77.1662 -208.836 -117.493 -193.992 -106.322 37.1669 -294.329 34.4064 121.767 PRESSAVG: 4760400 -50.9715 -13.1114 -36.9684 -13.1114 48.9012 -46.1047 -36.9684 -46.1047 21.205 GPRESSAVG: 4760400 -50.1577 -16.859 -38.6832 -11.2714 47.5313 -47.2743 -35.8689 -48.0519 21.9861 TIMING: 4760400 CPU: 13781.7, 0.00295055/step Wall: 13781.7, 0.00295056/step, 0.196376 hours remaining, 212.582031 MB of memory in use. ENERGY: 4760400 734.6214 2113.9053 1930.0699 114.2312 -206015.3660 17678.3743 0.0000 0.0000 34450.4842 -148993.6797 300.8646 -183444.1639 -148887.2973 299.4036 -50.6316 -20.5736 557440.9004 6.3782 6.4532 PRESSURE: 4760600 -144.951 74.665 97.2785 74.6646 -124.768 -115.691 97.2794 -115.693 85.0075 GPRESSURE: 4760600 -122.265 65.162 6.16936 104.366 -100.882 -142.537 178.174 -70.1758 122.744 PRESSAVG: 4760600 6.01551 -33.2714 24.9472 -33.2714 -16.0573 -10.1948 24.9473 -10.1948 1.30716 GPRESSAVG: 4760600 6.17753 -30.1265 25.4669 -36.5697 -16.1663 -9.93792 23.9533 -10.4709 0.955418 TIMING: 4760600 CPU: 13782.3, 0.00288661/step Wall: 13782.3, 0.00288661/step, 0.19196 hours remaining, 212.582031 MB of memory in use. ENERGY: 4760600 717.7707 2062.4612 1953.7932 99.7395 -205729.3354 17501.1970 0.0000 0.0000 34293.2883 -149101.0854 299.4918 -183394.3737 -149004.5658 300.0123 -61.5703 -33.4676 555805.7452 -2.9116 -3.0111 PRESSURE: 4760800 -53.909 -55.341 -36.542 -55.3413 -91.3882 -114.735 -36.541 -114.734 -243.274 GPRESSURE: 4760800 -36.8877 -62.9167 -6.9664 1.80368 -59.2288 -161.301 -114.567 -50.1898 -199.231 PRESSAVG: 4760800 57.5561 23.3575 -30.7965 23.3575 -29.9697 -30.9775 -30.7965 -30.9775 29.8775 GPRESSAVG: 4760800 56.7045 23.7357 -29.4146 25.2819 -28.8871 -29.9602 -29.8403 -32.1498 30.3133 TIMING: 4760800 CPU: 13782.9, 0.00289486/step Wall: 13782.9, 0.00289486/step, 0.192348 hours remaining, 212.582031 MB of memory in use. ENERGY: 4760800 735.7457 2136.4085 1932.7408 132.1551 -205947.5754 17423.0711 0.0000 0.0000 34486.4671 -149100.9871 301.1789 -183587.4541 -149010.4453 299.3993 -129.5238 -98.4493 556885.9467 19.1547 19.3769 PRESSURE: 4761000 -331.479 -31.9006 -79.3071 -31.8991 -18.2183 33.4848 -79.3083 33.4845 120.225 GPRESSURE: 4761000 -253.899 -97.1223 -118.775 11.7497 4.63769 -43.1289 -48.5595 75.9556 136.76 PRESSAVG: 4761000 -112.944 35.6381 -25.302 35.6382 18.967 -11.4697 -25.302 -11.4699 86.2307 GPRESSAVG: 4761000 -111.671 34.443 -25.9878 35.3086 17.9613 -13.8727 -25.1974 -9.78532 86.3525 TIMING: 4761000 CPU: 13783.5, 0.00289757/step Wall: 13783.5, 0.00289757/step, 0.192366 hours remaining, 212.582031 MB of memory in use. ENERGY: 4761000 719.4136 2107.1503 1937.9556 114.3356 -205460.5827 17285.5833 0.0000 0.0000 34247.1224 -149049.0219 299.0886 -183296.1444 -148954.4490 300.0444 -76.4906 -37.5003 555963.6208 -2.5821 -2.4523 PRESSURE: 4761200 -68.7148 -55.7345 -192.987 -55.7358 16.2537 82.9336 -192.988 82.9329 -18.8272 GPRESSURE: 4761200 -20.5436 -113.666 -190.692 -75.3058 66.585 97.7196 -163.543 131.432 -22.1867 PRESSAVG: 4761200 -18.4423 9.12299 -41.8949 9.12301 -33.3219 -58.8276 -41.895 -58.8276 46.7016 GPRESSAVG: 4761200 -18.2865 9.34452 -43.6341 9.11494 -33.4718 -57.3661 -40.1226 -57.3275 46.522 TIMING: 4761200 CPU: 13784, 0.00290761/step Wall: 13784, 0.00290761/step, 0.192871 hours remaining, 212.582031 MB of memory in use. ENERGY: 4761200 743.7737 2114.0202 1968.1430 130.0010 -206183.5504 17849.3843 0.0000 0.0000 34217.3485 -149160.8797 298.8286 -183378.2282 -149068.2293 299.5031 -23.7628 7.9516 555510.6791 -1.6875 -1.7454 PRESSURE: 4761400 -230.637 152.869 5.83917 152.868 21.8155 -96.566 5.83886 -96.5656 -50.1177 GPRESSURE: 4761400 -197.783 119.867 66.0819 161.263 28.5635 -119.739 -59.4653 -106.281 7.20071 PRESSAVG: 4761400 -29.3667 0.398923 -16.6378 0.398912 38.9359 33.8685 -16.6379 33.8686 -10.5188 GPRESSAVG: 4761400 -29.6747 0.734737 -15.7276 0.405218 39.2591 34.0769 -20.1136 31.5312 -10.7085 TIMING: 4761400 CPU: 13784.6, 0.0029309/step Wall: 13784.6, 0.0029309/step, 0.194254 hours remaining, 212.582031 MB of memory in use. ENERGY: 4761400 754.0503 2175.1096 1966.4162 125.4683 -206252.2907 17668.6306 0.0000 0.0000 34442.5680 -149120.0477 300.7955 -183562.6157 -149013.9624 299.4838 -86.3132 -54.0063 556116.5551 -0.3165 -0.3747 PRESSURE: 4761600 47.9664 -118.658 -28.8287 -118.658 -193.815 89.3375 -28.8306 89.3375 -99.0517 GPRESSURE: 4761600 54.1769 -142.494 12.7116 -111.446 -154.383 67.7301 15.6104 104.589 -48.7055 PRESSAVG: 4761600 -26.8469 -10.8674 -47.3953 -10.8674 39.8889 47.6793 -47.3953 47.6793 -33.2679 GPRESSAVG: 4761600 -28.1334 -12.8579 -46.6522 -10.101 39.7794 47.8088 -44.6547 48.7254 -32.6159 TIMING: 4761600 CPU: 13785.2, 0.00291559/step Wall: 13785.2, 0.00291559/step, 0.193077 hours remaining, 212.582031 MB of memory in use. ENERGY: 4761600 733.6599 2110.0652 1984.4102 110.2345 -205842.3109 17592.3745 0.0000 0.0000 34424.6256 -148886.9409 300.6388 -183311.5665 -148792.3911 300.2367 -81.6335 -49.6373 557463.0735 -6.7420 -6.9900 PRESSURE: 4761800 160.512 -189.396 -61.2118 -189.396 175.68 -53.7683 -61.2118 -53.7688 119.892 GPRESSURE: 4761800 180.403 -221.159 -92.2218 -192.839 188.084 -95.4936 42.106 18.9234 184.526 PRESSAVG: 4761800 -30.1597 -54.1057 -50.4438 -54.1058 38.6233 -10.0643 -50.4438 -10.0643 33.3204 GPRESSAVG: 4761800 -28.5866 -53.6747 -51.3101 -53.8977 37.9535 -10.478 -49.855 -12.0364 32.199 TIMING: 4761800 CPU: 13785.8, 0.00288524/step Wall: 13785.8, 0.00288524/step, 0.190907 hours remaining, 212.582031 MB of memory in use. ENERGY: 4761800 774.5197 2152.3107 1951.5353 125.8841 -206218.5133 18000.9687 0.0000 0.0000 34124.0386 -149089.2563 298.0137 -183213.2948 -148986.9707 299.9007 152.0282 184.3376 556123.9401 13.9280 13.8553 PRESSURE: 4762000 -145.427 123.085 -51.1638 123.085 111.553 37.3649 -51.1643 37.3652 -129.727 GPRESSURE: 4762000 -113.199 116.309 -102.087 148.76 198.587 48.4078 -19.127 -11.8052 -144.217 PRESSAVG: 4762000 -30.7288 23.1775 -47.145 23.1775 -7.61075 -44.8405 -47.145 -44.8405 -10.967 GPRESSAVG: 4762000 -30.7342 24.4428 -46.5075 21.8595 -7.3556 -43.0553 -49.4582 -43.1093 -11.6744 TIMING: 4762000 CPU: 13786.4, 0.00288687/step Wall: 13786.4, 0.00288687/step, 0.190854 hours remaining, 212.582031 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: 4762000 712.9393 2140.0195 1963.0790 112.5543 -206117.7551 17787.0872 0.0000 0.0000 34159.8594 -149242.2164 298.3265 -183402.0758 -149142.1807 299.5652 -54.5336 -19.6096 558555.8699 -16.4355 -16.5881 PRESSURE: 4762200 -100.778 -188.019 -94.9463 -188.017 -43.4476 54.8008 -94.9471 54.7997 -155.275 GPRESSURE: 4762200 -71.8529 -168.611 -117.06 -181.933 -43.2325 2.24467 -95.3351 50.6276 -83.0799 PRESSAVG: 4762200 68.904 -29.3806 12.3517 -29.3806 -6.06166 52.8499 12.3517 52.85 -66.0608 GPRESSAVG: 4762200 68.2175 -30.3198 11.2274 -28.0683 -6.12502 52.3504 12.954 52.8359 -65.0416 TIMING: 4762200 CPU: 13786.9, 0.00288023/step Wall: 13786.9, 0.00288023/step, 0.190255 hours remaining, 212.582031 MB of memory in use. ENERGY: 4762200 722.4220 2134.6084 1950.9937 117.6006 -205996.2519 17685.8872 0.0000 0.0000 34085.7573 -149298.9826 297.6794 -183384.7400 -149197.5155 299.0969 -99.8335 -66.0551 558605.9199 -1.0728 -0.9830 PRESSURE: 4762400 29.1021 -121.942 74.2836 -121.941 -101.627 -4.87995 74.2839 -4.88007 192.01 GPRESSURE: 4762400 89.0936 -101.135 70.2149 -173.677 -53.3659 -28.4339 50.2344 29.0319 181.535 PRESSAVG: 4762400 87.6918 -1.43074 0.118699 -1.43077 -39.3606 -29.0284 0.118784 -29.0285 -43.4999 GPRESSAVG: 4762400 89.1746 -0.719469 0.154104 -1.85826 -40.0445 -28.8012 1.08169 -28.6119 -44.0333 TIMING: 4762400 CPU: 13787.5, 0.00290154/step Wall: 13787.5, 0.00290154/step, 0.191502 hours remaining, 212.582031 MB of memory in use. ENERGY: 4762400 734.6638 2058.8541 1985.0216 100.6350 -205831.7995 17718.5909 0.0000 0.0000 34248.3631 -148985.6710 299.0995 -183234.0341 -148894.0131 299.3974 39.8283 72.4210 558292.7159 1.6105 1.6989 PRESSURE: 4762600 -150.781 81.1084 85.575 81.1095 -124.66 -26.98 85.5748 -26.9806 -32.1601 GPRESSURE: 4762600 -75.3923 158.04 63.4951 22.5829 -111.92 -7.65118 80.0567 13.4866 -4.7191 PRESSAVG: 4762600 26.4095 44.2732 52.6505 44.2732 27.5377 37.9309 52.6506 37.9309 -37.0539 GPRESSAVG: 4762600 25.6747 46.9213 53.2046 42.5524 28.202 38.8679 51.3246 36.8218 -37.0859 TIMING: 4762600 CPU: 13788.1, 0.00289226/step Wall: 13788.1, 0.00289226/step, 0.190728 hours remaining, 212.582031 MB of memory in use. ENERGY: 4762600 775.8662 2102.7110 1957.2581 113.6561 -205827.8760 17610.3472 0.0000 0.0000 34247.7226 -149020.3147 299.0939 -183268.0373 -148933.1349 299.5998 -102.5337 -64.0106 558528.6847 5.6311 5.5969 PRESSURE: 4762800 163.024 158.251 62.1498 158.251 55.0421 26.2204 62.1492 26.2222 0.244914 GPRESSURE: 4762800 248.302 48.8452 63.6144 186.211 44.0059 30.5051 85.2172 97.1074 20.1153 PRESSAVG: 4762800 26.9078 1.6423 -12.5793 1.64225 -8.76041 36.077 -12.5793 36.077 29.8953 GPRESSAVG: 4762800 26.632 -0.326127 -12.149 5.1957 -7.43167 35.2218 -11.1966 37.2739 29.2625 TIMING: 4762800 CPU: 13788.7, 0.002899/step Wall: 13788.7, 0.002899/step, 0.191012 hours remaining, 212.582031 MB of memory in use. ENERGY: 4762800 738.4883 2060.4553 1955.5748 126.3859 -206502.6383 17978.7850 0.0000 0.0000 34657.4648 -148985.4842 302.6723 -183642.9490 -148888.0824 300.5317 72.7704 104.1411 557470.5309 16.0142 16.1543 PRESSURE: 4763000 -419.114 -88.3222 128.575 -88.3223 147.64 145.437 128.574 145.437 -45.0379 GPRESSURE: 4763000 -366.386 -112.492 107.674 -58.9084 174.413 204.489 169.305 116.437 -20.1822 PRESSAVG: 4763000 0.162435 10.9779 69.5511 10.978 70.9137 45.8127 69.5509 45.8127 -60.4766 GPRESSAVG: 4763000 2.01663 10.8296 70.3761 9.09932 68.8248 46.5532 67.8721 43.8296 -59.7505 TIMING: 4763000 CPU: 13789.3, 0.00290314/step Wall: 13789.3, 0.00290314/step, 0.191124 hours remaining, 212.582031 MB of memory in use. ENERGY: 4763000 770.0779 2085.3535 1924.5109 120.0397 -206117.2064 17808.5996 0.0000 0.0000 34527.0868 -148881.5381 301.5336 -183408.6249 -148783.7960 300.2906 -105.5038 -70.7183 558810.1024 3.5332 3.6970 PRESSURE: 4763200 79.6603 104.655 100.149 104.654 77.7987 -129.087 100.15 -129.087 -54.7594 GPRESSURE: 4763200 95.4339 96.2099 117.632 84.4681 177.172 -194.146 138.415 -19.8687 -52.3779 PRESSAVG: 4763200 -20.5065 14.4244 10.4233 14.4244 52.8191 2.89651 10.4233 2.89643 -73.1653 GPRESSAVG: 4763200 -21.1163 13.2207 8.83903 14.3301 53.5559 1.48694 11.692 4.33674 -73.2945 TIMING: 4763200 CPU: 13789.8, 0.00291369/step Wall: 13789.8, 0.00291369/step, 0.191656 hours remaining, 212.582031 MB of memory in use. ENERGY: 4763200 769.5625 2056.3612 1956.6554 125.5444 -206092.7183 17901.9164 0.0000 0.0000 34483.1221 -148799.5564 301.1497 -183282.6784 -148698.3243 299.8368 34.2332 73.4093 558528.1352 -13.6176 -13.6183 PRESSURE: 4763400 36.1628 -31.2192 -61.6873 -31.2194 171.155 -50.8225 -61.6899 -50.8233 -0.766988 GPRESSURE: 4763400 55.5841 -13.1977 -74.2108 0.263295 195.428 -98.3249 -7.4146 -84.1465 55.0238 PRESSAVG: 4763400 -27.9835 32.1462 18.1801 32.1461 23.9537 -3.03354 18.1802 -3.03356 32.2644 GPRESSAVG: 4763400 -29.6913 33.6577 18.3291 31.8084 24.9252 -3.18074 17.2261 -3.33579 32.9429 TIMING: 4763400 CPU: 13790.4, 0.00289475/step Wall: 13790.4, 0.00289475/step, 0.190249 hours remaining, 212.582031 MB of memory in use. ENERGY: 4763400 765.3671 2135.3642 1960.1111 110.8645 -206313.9701 18012.6941 0.0000 0.0000 34484.8310 -148844.7381 301.1646 -183329.5691 -148750.5492 300.6590 68.8503 102.0119 557220.6946 9.4115 9.3923 PRESSURE: 4763600 -131.885 69.2473 70.3292 69.2471 -187.907 129.254 70.3292 129.254 -145.084 GPRESSURE: 4763600 -97.0537 71.5204 23.0007 56.8429 -145.218 182.945 10.5626 134.437 -127.574 PRESSAVG: 4763600 -14.5593 84.59 -10.7221 84.5899 -34.2942 -16.084 -10.7221 -16.084 47.588 GPRESSAVG: 4763600 -13.3668 83.0787 -11.0177 84.9442 -35.4221 -15.784 -10.4443 -15.7285 47.6375 TIMING: 4763600 CPU: 13791, 0.00290291/step Wall: 13791, 0.00290291/step, 0.190624 hours remaining, 212.582031 MB of memory in use. ENERGY: 4763600 753.7906 2068.9894 1954.8362 116.5441 -205597.8966 17413.0538 0.0000 0.0000 34401.4717 -148889.2107 300.4366 -183290.6824 -148793.1274 300.5313 -154.9587 -123.2818 557320.6251 -0.4218 -0.3838 PRESSURE: 4763800 -17.2515 51.1425 151.025 51.1432 20.7427 -137.228 151.025 -137.23 8.94174 GPRESSURE: 4763800 25.2511 79.5737 137.37 -45.5052 38.986 -170.372 153.783 -34.9057 40.8815 PRESSAVG: 4763800 59.9254 32.2265 3.63319 32.2266 -19.4824 -16.9651 3.6331 -16.965 -16.3736 GPRESSAVG: 4763800 59.5153 33.1025 5.83634 32.1865 -19.1593 -15.1665 1.40893 -18.1334 -16.7869 TIMING: 4763800 CPU: 13791.6, 0.00291138/step Wall: 13791.6, 0.00291138/step, 0.191019 hours remaining, 212.582031 MB of memory in use. ENERGY: 4763800 740.7015 2070.8437 1942.4154 108.9650 -206379.7022 17821.1234 0.0000 0.0000 34561.5975 -149134.0558 301.8350 -183695.6534 -149037.2516 299.8635 4.1443 35.0396 557448.8434 8.0231 7.8563 PRESSURE: 4764000 12.6067 -18.1596 64.4143 -18.1603 -179.185 3.26543 64.415 3.26621 156.174 GPRESSURE: 4764000 37.09 -39.0466 -15.5346 -74.7548 -121.181 -30.7283 69.6105 -12.8224 158.706 PRESSAVG: 4764000 2.23227 15.6271 -25.9487 15.6272 -84.0955 -77.925 -25.9487 -77.925 91.0979 GPRESSAVG: 4764000 1.77075 14.8161 -25.8163 16.6214 -84.0206 -80.4478 -23.5385 -77.372 91.3869 TIMING: 4764000 CPU: 13792.2, 0.00290463/step Wall: 13792.2, 0.00290463/step, 0.190415 hours remaining, 212.582031 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: 4764000 719.3891 2129.9276 1951.7020 117.9516 -205943.0555 17742.6719 0.0000 0.0000 34071.3646 -149210.0488 297.5537 -183281.4134 -149120.2982 299.8719 -3.4682 24.8717 557116.6847 3.0782 3.0457 PRESSURE: 4764200 -190.323 -119.467 -72.4077 -119.467 112.393 35.9709 -72.408 35.9718 34.3212 GPRESSURE: 4764200 -109.51 -59.3912 -101.518 -135.534 75.4242 40.9873 28.7432 -28.4281 87.3615 PRESSAVG: 4764200 50.3303 -25.1071 -22.7677 -25.1071 -4.11191 -10.9233 -22.7677 -10.9233 45.9229 GPRESSAVG: 4764200 51.168 -24.7307 -23.8784 -24.5261 -5.43038 -8.64176 -22.6257 -10.5966 46.7165 TIMING: 4764200 CPU: 13792.7, 0.00289928/step Wall: 13792.7, 0.00289928/step, 0.189903 hours remaining, 212.582031 MB of memory in use. ENERGY: 4764200 710.7538 2121.3919 1950.0937 112.4566 -206073.1307 17825.1402 0.0000 0.0000 34161.3607 -149191.9338 298.3397 -183353.2945 -149101.4933 299.0355 -14.5362 17.7585 557262.3835 30.7138 30.8180 LDB: ============= START OF LOAD BALANCING ============== 13796.1 LDB: ============== END OF LOAD BALANCING =============== 13796.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13796.1 LDB: ============= START OF LOAD BALANCING ============== 13796.4 LDB: Largest compute 4773 load 0.030464 is 25.8% of average load 0.117995 LDB: Average compute 0.001732 is 1.5% of average load 0.117995 LDB: TIME 13796.4 LOAD: AVG 0.117995 MAX 0.181043 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.312 MB LDB: TIME 13796.4 LOAD: AVG 0.117995 MAX 0.181043 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.312 MB LDB: TIME 13796.4 LOAD: AVG 0.117995 MAX 0.181043 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13796.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13796.4 PRESSURE: 4764400 -3.41132 13.8869 5.53154 13.8874 -78.8331 8.43548 5.53076 8.43467 127.759 GPRESSURE: 4764400 -6.17302 -40.1043 96.9638 118.942 -23.1951 82.2024 -70.8607 -31.0176 178.68 PRESSAVG: 4764400 -53.9427 -59.456 -13.7887 -59.4559 43.5969 -4.07281 -13.7887 -4.07273 38.1101 GPRESSAVG: 4764400 -53.6027 -59.5262 -13.6406 -61.4185 43.4018 -7.06875 -13.4245 -2.38304 38.0295 TIMING: 4764400 CPU: 13793.3, 0.00296732/step Wall: 13793.3, 0.00296732/step, 0.194195 hours remaining, 213.167969 MB of memory in use. ENERGY: 4764400 702.8346 2133.8611 1914.7599 122.4677 -206285.7363 17898.5030 0.0000 0.0000 34339.1944 -149174.1156 299.8927 -183513.3100 -149075.4978 299.3506 15.1715 49.7707 558314.1510 9.2548 9.2762 PRESSURE: 4764600 -28.1835 20.0993 -84.2036 20.1009 74.8465 139.785 -84.2045 139.786 -241.171 GPRESSURE: 4764600 -46.3557 97.3986 -61.3742 -76.6328 84.5618 219.164 -103.782 88.2415 -142.691 PRESSAVG: 4764600 -7.4418 -16.8219 -14.9424 -16.8219 -2.53946 85.3589 -14.9424 85.3589 -44.2389 GPRESSAVG: 4764600 -7.83964 -17.2875 -16.1951 -15.0703 -1.33226 87.1907 -14.7066 83.3418 -44.5094 TIMING: 4764600 CPU: 13793.9, 0.0028904/step Wall: 13793.9, 0.0028904/step, 0.189 hours remaining, 213.371094 MB of memory in use. ENERGY: 4764600 714.6194 2019.3518 1942.9546 107.8193 -206084.6418 17625.4916 0.0000 0.0000 34301.8467 -149372.5583 299.5666 -183674.4050 -149273.4237 299.3376 -64.8361 -34.8283 557429.7362 -18.0734 -17.8938 PRESSURE: 4764800 -65.6371 50.9658 -25.9233 50.9673 189.598 -92.989 -25.9232 -92.9867 0.949359 GPRESSURE: 4764800 34.4699 8.68834 -44.3284 38.2206 234.877 -110.545 -51.987 -58.7478 -44.2608 PRESSAVG: 4764800 -39.9122 11.663 9.05361 11.663 54.5867 15.1666 9.05357 15.1667 43.4886 GPRESSAVG: 4764800 -40.2836 11.8031 11.2069 11.2819 54.3124 16.4407 6.82131 14.5136 43.8323 TIMING: 4764800 CPU: 13794.5, 0.00290635/step Wall: 13794.5, 0.00290635/step, 0.189881 hours remaining, 213.371094 MB of memory in use. ENERGY: 4764800 745.8478 2104.3500 1955.4306 121.0348 -206345.4416 17916.2175 0.0000 0.0000 34069.4395 -149433.1214 297.5369 -183502.5609 -149340.1530 299.3341 41.6368 75.0286 556692.5880 19.3877 19.2870 PRESSURE: 4765000 -8.21452 30.2061 82.6065 30.2049 203.147 -190.749 82.6057 -190.749 187.526 GPRESSURE: 4765000 34.3964 -47.2764 82.1878 8.88539 247.61 -255.951 117.588 -113.136 201.513 PRESSAVG: 4765000 -35.737 -18.5239 54.9805 -18.524 52.6981 -25.4473 54.9805 -25.4473 -54.8539 GPRESSAVG: 4765000 -35.4299 -17.349 53.905 -19.1048 52.7385 -26.1746 55.6941 -23.4074 -55.5684 TIMING: 4765000 CPU: 13795.1, 0.00290506/step Wall: 13795.1, 0.00290506/step, 0.189636 hours remaining, 213.371094 MB of memory in use. ENERGY: 4765000 751.9342 2062.9804 1941.5861 119.6445 -206556.9564 18057.5967 0.0000 0.0000 34170.5510 -149452.6636 298.4199 -183623.2146 -149358.1455 299.1961 127.4861 161.1734 555288.8198 -12.6309 -12.7533 PRESSURE: 4765200 22.1452 -76.6897 54.995 -76.6902 18.1469 40.2896 54.9962 40.2901 -102.37 GPRESSURE: 4765200 34.3148 -132.933 -85.2332 -138.686 -6.39573 139.208 97.624 20.4315 -4.38515 PRESSAVG: 4765200 -14.3121 24.8225 25.1841 24.8225 40.1001 -13.3442 25.1841 -13.3442 -2.65232 GPRESSAVG: 4765200 -13.3557 25.8086 26.7177 25.1117 39.1936 -13.437 24.9877 -15.9317 -2.95876 TIMING: 4765200 CPU: 13795.7, 0.00289914/step Wall: 13795.7, 0.00289914/step, 0.189088 hours remaining, 213.371094 MB of memory in use. ENERGY: 4765200 730.1025 2109.9940 1939.3054 126.0232 -206203.3217 17674.5915 0.0000 0.0000 34252.3268 -149370.9783 299.1341 -183623.3051 -149278.5171 298.7126 -20.6928 7.8446 555942.1102 7.7119 7.6264 PRESSURE: 4765400 98.064 -174.27 -81.4764 -174.271 215.959 -17.2251 -81.476 -17.2243 -250.003 GPRESSURE: 4765400 98.6068 -171.679 -140.629 -147.283 250.796 -82.0987 7.96928 39.5418 -190.294 PRESSAVG: 4765400 15.6509 -25.0686 -11.4964 -25.0685 66.4736 18.7728 -11.4964 18.7728 -67.7397 GPRESSAVG: 4765400 14.4862 -23.7778 -13.432 -26.6713 66.9213 19.9916 -10.0769 19.4965 -66.8381 TIMING: 4765400 CPU: 13796.2, 0.00290318/step Wall: 13796.2, 0.00290318/step, 0.189191 hours remaining, 213.371094 MB of memory in use. ENERGY: 4765400 740.4370 2085.7152 1971.0074 123.6399 -206096.4286 17678.3399 0.0000 0.0000 34099.0819 -149398.2072 297.7958 -183497.2891 -149300.1984 298.5269 21.3401 53.0363 556208.4901 4.7949 4.8565 PRESSURE: 4765600 -20.727 178.577 -1.41083 178.578 -86.5507 -18.359 -1.41025 -18.3593 -169.146 GPRESSURE: 4765600 11.0241 229.175 -7.25747 124.611 -52.2807 -3.73878 -25.848 44.0521 -141.183 PRESSAVG: 4765600 -27.9596 -27.4356 9.97693 -27.4356 57.057 3.37672 9.97685 3.37672 -55.0206 GPRESSAVG: 4765600 -27.1827 -30.0225 9.57058 -24.0874 56.5721 2.64097 10.0373 3.77228 -55.6324 TIMING: 4765600 CPU: 13796.8, 0.00287896/step Wall: 13796.8, 0.00287896/step, 0.187452 hours remaining, 213.371094 MB of memory in use. ENERGY: 4765600 730.2245 2110.0925 1939.8422 124.9896 -206178.5557 17758.4282 0.0000 0.0000 34079.8546 -149435.1241 297.6278 -183514.9788 -149340.1505 298.2724 -92.1411 -60.8132 556125.0923 -8.6411 -8.7477 PRESSURE: 4765800 -21.1093 85.6667 -74.7896 85.6653 -232.244 1.31504 -74.7896 1.31554 116.967 GPRESSURE: 4765800 -28.6916 19.4724 9.81407 74.4061 -129.473 54.5079 -159.953 -16.9609 127.604 PRESSAVG: 4765800 -52.7853 33.4789 4.35315 33.4789 -26.4557 13.9144 4.35323 13.9145 44.0762 GPRESSAVG: 4765800 -52.8719 34.1653 4.8274 32.171 -26.1185 13.0506 4.63362 15.437 43.6781 TIMING: 4765800 CPU: 13797.4, 0.00286954/step Wall: 13797.4, 0.00286954/step, 0.18668 hours remaining, 213.371094 MB of memory in use. ENERGY: 4765800 758.6595 2052.2210 1957.6566 110.7592 -206234.9881 17536.1109 0.0000 0.0000 34144.8277 -149674.7533 298.1953 -183819.5810 -149566.4012 298.4291 -45.4622 -10.1869 555419.7550 -11.7216 -11.7708 PRESSURE: 4766000 143.838 72.4019 152.346 72.4019 -228.635 226.414 152.347 226.413 -34.7039 GPRESSURE: 4766000 175.018 18.4245 112.284 83.7938 -209.031 279.392 166.457 165.042 10.7591 PRESSAVG: 4766000 61.3101 -33.4885 40.0749 -33.4885 45.7852 -8.90385 40.0749 -8.90369 -75.1726 GPRESSAVG: 4766000 60.9698 -32.5909 39.9467 -33.4178 47.0323 -6.92635 39.8322 -12.0212 -76.0971 TIMING: 4766000 CPU: 13798, 0.00287019/step Wall: 13798, 0.0028702/step, 0.186563 hours remaining, 213.371094 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: 4766000 735.0215 2098.0666 1928.9078 111.8129 -206504.0404 17874.7227 0.0000 0.0000 34043.9672 -149711.5416 297.3144 -183755.5088 -149621.4751 297.9384 -39.8334 -7.7514 556689.3101 10.6409 10.6350 PRESSURE: 4766200 -34.7548 9.64512 44.8383 9.64607 376.916 -204.433 44.8372 -204.434 -69.8581 GPRESSURE: 4766200 -1.47759 34.6211 36.4641 -66.935 368.06 -147.299 96.7852 -252.541 8.0418 PRESSAVG: 4766200 10.2326 10.6768 40.9225 10.677 74.1139 6.08818 40.9224 6.08811 -57.7684 GPRESSAVG: 4766200 9.33769 8.17994 39.4476 11.2151 73.6491 4.16397 41.7923 8.21729 -56.0748 TIMING: 4766200 CPU: 13798.5, 0.00288504/step Wall: 13798.5, 0.00288504/step, 0.187367 hours remaining, 213.371094 MB of memory in use. ENERGY: 4766200 722.4065 2091.3439 1938.5675 108.6031 -206707.6874 17899.2993 0.0000 0.0000 34139.6293 -149807.8378 298.1499 -183947.4671 -149715.7070 297.9967 90.7677 124.8749 556191.6621 8.8594 8.9707 PRESSURE: 4766400 63.0353 65.0291 100.794 65.0301 -293.344 124.129 100.793 124.13 -55.2289 GPRESSURE: 4766400 65.3003 155.891 102.033 17.6614 -220.988 171.879 75.2491 99.382 -28.0903 PRESSAVG: 4766400 13.1999 -13.7823 -25.3771 -13.7823 20.0394 -22.6274 -25.3771 -22.6273 -33.5591 GPRESSAVG: 4766400 14.1824 -11.2801 -22.6304 -15.203 20.3786 -21.1663 -27.394 -22.5816 -35.1068 TIMING: 4766400 CPU: 13799.1, 0.00287764/step Wall: 13799.1, 0.00287764/step, 0.186727 hours remaining, 213.371094 MB of memory in use. ENERGY: 4766400 718.0115 2089.3406 1936.9122 112.0195 -206762.1967 17682.4423 0.0000 0.0000 34462.0011 -149761.4695 300.9652 -184223.4706 -149657.7207 297.6403 -95.1793 -61.2595 555865.2412 -0.1066 -0.1819 PRESSURE: 4766600 205.695 -89.2607 67.84 -89.2602 -34.8588 -49.0869 67.8391 -49.0855 -230.231 GPRESSURE: 4766600 210.913 -77.0853 37.8802 -53.3339 -39.6388 -78.7064 38.1862 -69.6184 -125.382 PRESSAVG: 4766600 -52.5024 -27.6042 40.2539 -27.6042 47.7759 41.9977 40.2539 41.9977 16.7239 GPRESSAVG: 4766600 -51.9452 -29.547 37.2661 -25.6205 47.7948 40.9234 42.0324 42.496 16.6428 TIMING: 4766600 CPU: 13799.7, 0.00288258/step Wall: 13799.7, 0.00288258/step, 0.186887 hours remaining, 213.371094 MB of memory in use. ENERGY: 4766600 754.8550 2044.3454 1940.8985 123.2232 -206886.7333 17987.3143 0.0000 0.0000 34216.9925 -149819.1044 298.8255 -184036.0969 -149726.3029 297.0240 -19.7985 15.2973 556655.6011 3.9991 4.1641 PRESSURE: 4766800 251.984 -1.95014 203.117 -1.95024 -110.292 43.7681 203.118 43.7696 164.295 GPRESSURE: 4766800 309.163 16.8481 93.7013 -30.3848 -28.3058 54.8175 225.677 72.3728 125.551 PRESSAVG: 4766800 68.9173 -21.2421 23.2856 -21.2422 -17.2751 11.2512 23.2856 11.2511 -29.7447 GPRESSAVG: 4766800 68.9759 -19.7306 24.7681 -22.5525 -17.5152 11.7566 22.4558 10.5955 -29.092 TIMING: 4766800 CPU: 13800.3, 0.00289162/step Wall: 13800.3, 0.00289161/step, 0.187312 hours remaining, 213.371094 MB of memory in use. ENERGY: 4766800 714.6363 2117.2616 1935.9309 118.8524 -207235.7213 18194.0144 0.0000 0.0000 34193.9928 -149961.0329 298.6246 -184155.0257 -149859.9978 297.6023 101.9958 135.4694 556786.7321 7.2992 7.4562 PRESSURE: 4767000 10.0679 -50.9209 -291.948 -50.9195 -205.875 -159.058 -291.947 -159.061 -106.774 GPRESSURE: 4767000 46.3008 -64.331 -297.692 25.929 -159.132 -196.972 -295.533 -209.518 -94.8976 PRESSAVG: 4767000 34.7449 6.83455 -29.5896 6.83451 -12.6439 -17.4903 -29.5895 -17.4904 -10.4027 GPRESSAVG: 4767000 35.0233 5.28812 -28.704 7.10639 -12.8363 -17.6494 -28.8442 -17.6791 -10.6949 TIMING: 4767000 CPU: 13800.8, 0.00290554/step Wall: 13800.8, 0.00290555/step, 0.188053 hours remaining, 213.371094 MB of memory in use. ENERGY: 4767000 685.8341 2061.4313 1982.5884 123.5243 -206694.7647 17884.2657 0.0000 0.0000 34126.9976 -149830.1234 298.0396 -183957.1210 -149736.2992 297.8600 -100.8604 -69.2428 558419.0636 3.8994 3.8307 PRESSURE: 4767200 2.89907 120.55 156.115 120.55 376.162 92.6154 156.115 92.6149 255.862 GPRESSURE: 4767200 0.320971 139.109 69.7178 80.5111 419.641 80.2071 220.115 82.0312 324.017 PRESSAVG: 4767200 12.4369 14.9577 -81.5049 14.9578 20.6186 14.6016 -81.5048 14.6016 -3.68436 GPRESSAVG: 4767200 12.017 17.0557 -82.9652 15.5144 21.7514 15.5734 -80.9409 15.1264 -4.27388 TIMING: 4767200 CPU: 13801.4, 0.00286847/step Wall: 13801.4, 0.00286847/step, 0.185494 hours remaining, 213.371094 MB of memory in use. ENERGY: 4767200 722.4324 2070.1162 1948.6566 108.6916 -207223.6184 18349.0664 0.0000 0.0000 34352.4821 -149672.1729 300.0088 -184024.6550 -149580.0002 297.4801 211.6410 247.9930 557788.3015 9.7904 9.8315 PRESSURE: 4767400 -165.6 80.1518 172.019 80.1512 48.2954 -21.6752 172.018 -21.6741 62.0781 GPRESSURE: 4767400 -141.324 94.2425 205.366 83.1778 119.325 -37.2204 125.364 -12.7683 65.4227 PRESSAVG: 4767400 -25.2168 -59.1762 -18.6893 -59.1762 8.61889 -28.3887 -18.6893 -28.3886 39.8603 GPRESSAVG: 4767400 -27.0544 -60.6361 -17.7432 -59.3749 9.63638 -30.6356 -21.7688 -28.4331 40.8061 TIMING: 4767400 CPU: 13802, 0.00288399/step Wall: 13802, 0.00288399/step, 0.186338 hours remaining, 213.371094 MB of memory in use. ENERGY: 4767400 745.7654 2087.9224 1945.0126 112.0531 -206538.4534 17942.3053 0.0000 0.0000 34097.3314 -149608.0632 297.7805 -183705.3946 -149520.0105 298.4682 -18.4089 14.4745 557507.6164 7.7541 7.7960 PRESSURE: 4767600 98.2677 123.467 -21.6425 123.467 -228.429 161.316 -21.6438 161.317 19.1305 GPRESSURE: 4767600 133.547 138.539 19.3536 79.0316 -165.488 109.594 -78.0901 179.279 24.0259 PRESSAVG: 4767600 27.6256 -46.7775 -62.163 -46.7776 -32.7495 6.01024 -62.163 6.01038 13.3019 GPRESSAVG: 4767600 29.263 -44.3705 -62.3702 -48.1449 -33.9501 6.94005 -59.3759 7.11579 13.5332 TIMING: 4767600 CPU: 13802.6, 0.00290614/step Wall: 13802.6, 0.00290614/step, 0.187607 hours remaining, 213.371094 MB of memory in use. ENERGY: 4767600 742.1088 2116.4359 1946.6122 110.9505 -206479.1502 17722.1069 0.0000 0.0000 34135.4762 -149705.4596 298.1136 -183840.9358 -149617.2620 298.6431 -37.0104 -2.6383 556617.2412 2.7260 2.9487 PRESSURE: 4767800 -128.319 37.7617 72.8945 37.7615 26.9086 -48.8769 72.8941 -48.8785 168.16 GPRESSURE: 4767800 -73.5456 29.3767 66.6306 2.80203 63.0242 -105.073 25.9679 -0.938858 182.17 PRESSAVG: 4767800 8.29747 -29.4659 -35.1766 -29.4659 11.8923 66.0685 -35.1766 66.0685 -22.9786 GPRESSAVG: 4767800 7.45432 -31.2181 -34.8933 -29.6795 13.5126 64.9183 -35.3855 64.646 -23.988 TIMING: 4767800 CPU: 13803.2, 0.0029087/step Wall: 13803.2, 0.0029087/step, 0.187611 hours remaining, 213.371094 MB of memory in use. ENERGY: 4767800 770.2190 2122.2191 1923.2667 108.4056 -206950.4038 18064.8717 0.0000 0.0000 34436.0520 -149525.3697 300.7386 -183961.4217 -149421.8367 298.7581 22.2500 57.2161 555864.3862 -0.9296 -1.0070 PRESSURE: 4768000 118.589 -150.394 149.999 -150.394 -172.032 26.3697 149.998 26.3693 220.209 GPRESSURE: 4768000 188.822 -154.262 215.317 -67.2954 -106.574 -67.1364 60.0356 36.2949 182.582 PRESSAVG: 4768000 2.80906 -46.4372 -24.2221 -46.4371 -1.46859 58.4813 -24.222 58.4812 -33.0675 GPRESSAVG: 4768000 2.75217 -47.2476 -26.2734 -44.6781 -2.03414 62.2435 -23.6072 58.0295 -32.3744 TIMING: 4768000 CPU: 13803.7, 0.00290391/step Wall: 13803.7, 0.00290391/step, 0.187141 hours remaining, 213.371094 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: 4768000 759.0694 2066.5619 1973.5891 107.5447 -206665.4772 17976.1898 0.0000 0.0000 34202.2937 -149580.2286 298.6971 -183782.5223 -149482.5261 298.0910 55.5886 88.2768 556916.0713 -10.5757 -10.5521 PRESSURE: 4768200 -4.18171 -114.023 99.645 -114.023 -54.2201 83.2986 99.6448 83.2988 -191.171 GPRESSURE: 4768200 2.15 -80.8014 162.468 -102.575 -31.5421 122.678 0.43974 61.1205 -127.756 PRESSAVG: 4768200 116.736 8.48031 62.0583 8.48033 -116.309 19.543 62.0583 19.543 6.17901 GPRESSAVG: 4768200 117.985 7.62428 64.107 9.49105 -116.45 15.7693 59.538 20.97 4.80194 TIMING: 4768200 CPU: 13804.3, 0.00291093/step Wall: 13804.3, 0.00291093/step, 0.187431 hours remaining, 213.371094 MB of memory in use. ENERGY: 4768200 805.8917 2085.5587 1954.8835 109.4861 -206384.6938 17801.9610 0.0000 0.0000 34140.9524 -149485.9605 298.1614 -183626.9128 -149382.5283 298.4743 -83.1911 -52.3825 556811.9921 2.2020 2.1124 LDB: ============= START OF LOAD BALANCING ============== 13807.7 LDB: ============== END OF LOAD BALANCING =============== 13807.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13807.7 LDB: ============= START OF LOAD BALANCING ============== 13808 LDB: Largest compute 4773 load 0.026051 is 22.1% of average load 0.118000 LDB: Average compute 0.001725 is 1.5% of average load 0.118000 LDB: TIME 13808 LOAD: AVG 0.118 MAX 0.178766 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.281 MB LDB: TIME 13808 LOAD: AVG 0.118 MAX 0.178766 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.281 MB LDB: TIME 13808 LOAD: AVG 0.118 MAX 0.178766 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.281 MB LDB: ============== END OF LOAD BALANCING =============== 13808 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13808 PRESSURE: 4768400 32.2166 110.088 29.4138 110.088 259.491 -196.249 29.4136 -196.247 -44.2626 GPRESSURE: 4768400 73.3612 197.09 11.3989 37.9632 268.26 -166.624 53.3504 -112.063 14.4487 PRESSAVG: 4768400 28.0042 16.3715 12.9675 16.3715 -46.2639 -5.89469 12.9675 -5.89458 42.8182 GPRESSAVG: 4768400 25.7027 16.9996 12.1214 14.6135 -45.3956 -2.83816 15.1185 -7.81433 44.5124 TIMING: 4768400 CPU: 13804.9, 0.0029434/step Wall: 13804.9, 0.0029434/step, 0.189359 hours remaining, 213.109375 MB of memory in use. ENERGY: 4768400 789.5877 2053.7218 1946.3958 115.6361 -206905.5175 18163.9557 0.0000 0.0000 34343.1585 -149493.0619 299.9273 -183836.2204 -149402.1563 299.1482 82.4815 118.6898 555206.0681 8.1862 8.2732 PRESSURE: 4768600 -72.4682 -84.5188 17.5682 -84.5175 -15.8801 186.217 17.5678 186.218 99.1772 GPRESSURE: 4768600 -20.8436 -127.46 -10.4576 -22.2325 76.1484 209.226 92.3565 80.3773 41.3618 PRESSAVG: 4768600 -3.29794 16.7024 -27.8443 16.7024 29.9056 5.17395 -27.8443 5.17397 -40.3279 GPRESSAVG: 4768600 -2.24356 17.9486 -28.0808 15.255 29.2481 4.50091 -28.8586 3.60902 -40.8376 TIMING: 4768600 CPU: 13805.5, 0.00290812/step Wall: 13805.5, 0.00290812/step, 0.186928 hours remaining, 213.109375 MB of memory in use. ENERGY: 4768600 761.3818 2134.5911 1937.3514 108.0535 -206586.3850 17890.8702 0.0000 0.0000 34359.4133 -149394.7238 300.0693 -183754.1371 -149302.5429 299.7429 3.6096 32.2222 556261.0445 -4.5734 -4.6110 PRESSURE: 4768800 -176.739 1.08845 18.4262 1.0864 -215.743 81.406 18.426 81.4043 -258.768 GPRESSURE: 4768800 -120.37 -17.9024 121.868 22.5535 -191.57 -17.9716 -27.3656 45.6784 -237.876 PRESSAVG: 4768800 7.07655 14.9246 9.45814 14.9246 5.23662 55.2087 9.45815 55.2087 17.389 GPRESSAVG: 4768800 7.45259 14.1828 10.5485 15.7703 4.01112 55.4493 8.9512 57.1167 17.8895 TIMING: 4768800 CPU: 13806.1, 0.00289149/step Wall: 13806.1, 0.00289149/step, 0.185698 hours remaining, 213.109375 MB of memory in use. ENERGY: 4768800 747.9352 2071.9838 1948.7639 112.3466 -205791.0568 17482.9011 0.0000 0.0000 34137.0805 -149290.0456 298.1276 -183427.1262 -149196.6178 298.7537 -217.0837 -183.2721 557052.3550 9.9007 9.7844 PRESSURE: 4769000 -66.3955 98.5963 36.1025 98.5956 -175.823 -48.2444 36.1032 -48.2438 -136.566 GPRESSURE: 4769000 -63.7801 106.546 130.996 142.483 -156.309 -12.2092 3.37239 22.4677 -67.2782 PRESSAVG: 4769000 -77.8346 -29.8845 53.306 -29.8846 9.82806 9.06337 53.3059 9.06338 49.853 GPRESSAVG: 4769000 -78.4622 -32.4429 52.3324 -27.7872 10.5661 11.2193 53.1719 8.97868 49.3498 TIMING: 4769000 CPU: 13806.6, 0.00288895/step Wall: 13806.6, 0.00288895/step, 0.185374 hours remaining, 213.109375 MB of memory in use. ENERGY: 4769000 768.9945 2079.8103 1927.0381 108.1362 -205860.3071 17690.8926 0.0000 0.0000 34335.4336 -148950.0019 299.8599 -183285.4355 -148855.8725 299.8826 -126.2616 -95.7892 558528.4818 -6.0512 -6.1821 PRESSURE: 4769200 -128.813 137.501 113.124 137.5 39.0996 231.722 113.125 231.724 -75.2723 GPRESSURE: 4769200 -97.7579 115.877 59.9277 143.902 96.1267 108.837 123.79 301.337 -45.345 PRESSAVG: 4769200 47.3508 15.5281 24.8294 15.5281 35.337 39.4584 24.8295 39.4583 -44.3013 GPRESSAVG: 4769200 47.9785 18.1241 23.7202 12.6811 35.4141 35.9708 25.8208 39.7116 -44.9464 TIMING: 4769200 CPU: 13807.2, 0.00288459/step Wall: 13807.2, 0.00288459/step, 0.184934 hours remaining, 213.109375 MB of memory in use. ENERGY: 4769200 774.0377 2153.5064 1945.2298 114.0908 -206351.4190 17863.8744 0.0000 0.0000 34634.6326 -148866.0472 302.4729 -183500.6798 -148770.1536 300.7910 -54.9952 -15.6587 558039.1482 12.7955 12.8154 PRESSURE: 4769400 104.332 -276.59 96.1447 -276.59 -158.957 200.83 96.145 200.829 -364.903 GPRESSURE: 4769400 167.268 -223.778 156.229 -237.414 -147.906 218.292 33.6842 211.278 -323.542 PRESSAVG: 4769400 -10.2886 -7.08445 -52.6102 -7.08444 2.58056 -39.9196 -52.6101 -39.9195 29.0411 GPRESSAVG: 4769400 -11.7346 -5.75374 -51.186 -7.37993 3.26666 -38.2531 -51.2246 -41.8092 29.6351 TIMING: 4769400 CPU: 13807.8, 0.00296653/step Wall: 13807.8, 0.00296653/step, 0.190023 hours remaining, 213.109375 MB of memory in use. ENERGY: 4769400 777.6601 2111.4114 1977.4753 102.6309 -206337.4644 17788.1661 0.0000 0.0000 34537.5482 -149042.5724 301.6250 -183580.1206 -148937.3894 300.7854 -139.8425 -101.3935 557609.0976 7.1110 7.0557 PRESSURE: 4769600 -88.5953 -28.8114 56.3021 -28.8112 -185.781 57.2169 56.3018 57.2161 -110.153 GPRESSURE: 4769600 -104.397 36.3086 -43.5282 -20.2847 -158.203 64.8464 21.3615 64.1736 -36.8675 PRESSAVG: 4769600 -28.3658 -25.5059 87.8621 -25.5059 -18.9045 2.20834 87.862 2.20832 1.75396 GPRESSAVG: 4769600 -27.6099 -26.0278 88.5302 -24.3909 -19.1951 0.212819 86.6944 3.64937 1.6351 TIMING: 4769600 CPU: 13808.4, 0.00293444/step Wall: 13808.4, 0.00293444/step, 0.187804 hours remaining, 213.109375 MB of memory in use. ENERGY: 4769600 783.2861 2062.4473 1919.5565 105.8519 -205750.5797 17602.9877 0.0000 0.0000 34225.7931 -149050.6571 298.9024 -183276.4502 -148960.7571 299.7724 -128.1764 -99.8227 558231.3834 -15.1721 -15.0566 PRESSURE: 4769800 -65.9867 -123.551 107.512 -123.55 38.1959 30.5847 107.512 30.585 -86.1314 GPRESSURE: 4769800 -56.2466 -139.26 165.259 -112.948 125.834 -1.85124 118.955 5.95647 -99.1912 PRESSAVG: 4769800 17.5003 -21.2051 66.2946 -21.2051 -6.48319 -9.27375 66.2946 -9.27363 -4.1339 GPRESSAVG: 4769800 17.1655 -21.365 67.5181 -19.9905 -6.48858 -10.0783 64.6739 -7.69245 -3.78037 TIMING: 4769800 CPU: 13809, 0.00292039/step Wall: 13809, 0.00292039/step, 0.186742 hours remaining, 213.109375 MB of memory in use. ENERGY: 4769800 764.1026 2132.6193 1939.3963 115.8056 -205793.3574 17540.6641 0.0000 0.0000 34351.4040 -148949.3655 299.9994 -183300.7695 -148841.9999 300.0959 -37.9741 -9.8678 557504.3433 2.2944 2.2988 PRESSURE: 4770000 -192.381 -21.7016 -107.001 -21.7017 -26.5418 154.814 -107.002 154.816 62.2939 GPRESSURE: 4770000 -133.724 50.5288 -216.623 -3.61074 -1.48877 173.4 -59.6491 109.069 83.6179 PRESSAVG: 4770000 -39.032 15.2173 30.128 15.2173 5.81451 30.9511 30.1279 30.951 -15.441 GPRESSAVG: 4770000 -37.4936 15.5159 25.9917 13.9779 3.58246 34.5155 32.3222 29.6092 -14.5333 TIMING: 4770000 CPU: 13809.6, 0.00291818/step Wall: 13809.6, 0.00291818/step, 0.18644 hours remaining, 213.234375 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: 4770000 761.5964 2116.6961 1954.7283 106.9452 -205928.7924 17615.1027 0.0000 0.0000 34381.1886 -148992.5352 300.2595 -183373.7238 -148896.3982 300.0434 -52.2095 -17.1984 557548.3749 -16.2195 -16.1481 PRESSURE: 4770200 -212.286 -47.1986 -82.9664 -47.1973 -265.71 -31.6719 -82.9669 -31.6712 -239.068 GPRESSURE: 4770200 -173.343 -46.6335 10.0323 -46.4163 -217.355 24.3898 -62.838 -38.2992 -229.537 PRESSAVG: 4770200 -14.8493 14.6745 9.92363 14.6746 -23.8433 7.74071 9.9237 7.74073 61.1447 GPRESSAVG: 4770200 -16.5816 11.8082 11.4483 15.9559 -21.4712 5.41519 9.52976 8.73202 60.5363 TIMING: 4770200 CPU: 13810.1, 0.00287695/step Wall: 13810.1, 0.00287695/step, 0.183645 hours remaining, 213.234375 MB of memory in use. ENERGY: 4770200 750.3980 2159.4396 1967.1542 123.2481 -205688.6881 17418.3856 0.0000 0.0000 34269.9860 -149000.0767 299.2883 -183270.0627 -148904.5080 299.9143 -239.0211 -206.7452 557841.9094 7.4840 7.4945 PRESSURE: 4770400 65.5196 -1.0079 100.279 -1.00783 -64.1937 84.0285 100.28 84.0281 -111.368 GPRESSURE: 4770400 84.8163 -96.4521 90.0718 66.4935 1.65371 80.385 197.257 115.424 -109.327 PRESSAVG: 4770400 66.0164 -27.017 50.7176 -27.017 -60.9508 -45.2574 50.7176 -45.2573 5.26904 GPRESSAVG: 4770400 66.8606 -24.5551 48.9284 -28.488 -62.0503 -43.6155 50.7086 -46.0483 5.80399 TIMING: 4770400 CPU: 13810.7, 0.00287247/step Wall: 13810.7, 0.00287247/step, 0.1832 hours remaining, 213.234375 MB of memory in use. ENERGY: 4770400 714.0029 2127.5084 1970.9500 125.0482 -205649.4700 17623.8033 0.0000 0.0000 34197.9337 -148890.2234 298.6591 -183088.1571 -148798.8705 299.4520 -36.6807 -7.6190 558832.9097 3.4449 3.5381 PRESSURE: 4770600 -58.0869 64.5029 -39.1948 64.5042 -99.9996 53.6441 -39.1951 53.6452 -125.065 GPRESSURE: 4770600 -23.3505 135.695 -22.7536 123.955 -58.0609 60.6326 8.47101 37.5331 -108.796 PRESSAVG: 4770600 74.2367 11.5311 22.0578 11.5311 -50.4089 30.4396 22.0577 30.4397 -38.3145 GPRESSAVG: 4770600 73.7076 10.6417 25.1438 12.0036 -49.9746 28.8362 22.8549 31.3927 -37.7449 TIMING: 4770600 CPU: 13811.3, 0.00289564/step Wall: 13811.3, 0.00289564/step, 0.184517 hours remaining, 213.234375 MB of memory in use. ENERGY: 4770600 761.8024 2094.4735 1967.4422 119.0292 -205927.7267 17757.7265 0.0000 0.0000 34343.5744 -148883.6785 299.9310 -183227.2529 -148792.1420 299.8028 -94.3838 -63.4026 559447.8476 -4.8289 -4.6706 PRESSURE: 4770800 108.219 9.56794 -15.2135 9.56756 31.3626 24.4864 -15.2132 24.4863 -125.295 GPRESSURE: 4770800 105.217 -23.5104 -5.99493 6.42067 41.1809 44.2742 -38.6577 95.1209 -35.0197 PRESSAVG: 4770800 49.0775 -36.453 1.25798 -36.453 -80.9878 30.9731 1.25787 30.9731 60.2326 GPRESSAVG: 4770800 51.0881 -35.7623 -0.464219 -35.9225 -81.1879 30.2828 -0.426727 28.8012 58.2779 TIMING: 4770800 CPU: 13811.9, 0.00291675/step Wall: 13811.9, 0.00291675/step, 0.1857 hours remaining, 213.234375 MB of memory in use. ENERGY: 4770800 774.9154 2101.4448 1950.4604 115.0688 -205959.5493 17904.7930 0.0000 0.0000 34193.5448 -148919.3222 298.6207 -183112.8670 -148825.3101 299.9361 4.7624 37.1262 558657.8334 9.4408 9.3927 PRESSURE: 4771000 141.295 -163.321 -60.6403 -163.321 23.1919 123.573 -60.6396 123.573 74.4491 GPRESSURE: 4771000 140.352 -185.281 19.1966 -107.718 126.742 173.913 -57.1885 47.6925 48.891 PRESSAVG: 4771000 -56.4941 -20.4181 59.6181 -20.4181 6.78796 -9.97606 59.618 -9.97614 34.4315 GPRESSAVG: 4771000 -56.9845 -20.1368 61.5655 -22.772 5.56179 -8.4517 60.1507 -8.64514 36.1692 TIMING: 4771000 CPU: 13812.5, 0.00291201/step Wall: 13812.5, 0.00291201/step, 0.185236 hours remaining, 213.234375 MB of memory in use. ENERGY: 4771000 716.4743 2105.9963 1941.4494 105.7495 -205894.6896 17801.9447 0.0000 0.0000 34263.7315 -148959.3439 299.2337 -183223.0754 -148867.3589 300.4484 79.6454 105.3284 557353.7741 -5.0916 -5.0845 PRESSURE: 4771200 -102.802 -58.3776 165.867 -58.3776 -34.874 -136.019 165.867 -136.019 -53.8081 GPRESSURE: 4771200 -50.6381 2.31777 222.445 -78.5975 15.5407 -120.155 87.9157 -177.457 -54.627 PRESSAVG: 4771200 19.9242 -12.3282 5.55526 -12.3282 -13.1059 66.2909 5.55522 66.291 11.3174 GPRESSAVG: 4771200 19.8221 -13.9243 3.17398 -9.04639 -12.503 65.8874 6.22927 64.095 10.7794 TIMING: 4771200 CPU: 13813, 0.00288746/step Wall: 13813, 0.00288746/step, 0.183514 hours remaining, 213.234375 MB of memory in use. ENERGY: 4771200 699.1254 2069.1941 1977.2048 121.7238 -205651.4185 17569.3287 0.0000 0.0000 34274.7298 -148940.1120 299.3297 -183214.8417 -148843.8297 300.5297 -63.8280 -29.9081 558956.2953 6.0453 6.0328 PRESSURE: 4771400 -106.562 -57.2892 -106.546 -57.2877 -30.4593 -197.07 -106.546 -197.07 -119.621 GPRESSURE: 4771400 -103.961 -14.2474 -72.3758 -75.8415 2.96751 -167.845 58.8257 -205.745 -70.8154 PRESSAVG: 4771400 -42.7067 15.4142 -13.6232 15.4142 33.9506 15.8265 -13.6231 15.8265 -2.71969 GPRESSAVG: 4771400 -44.0708 15.9475 -12.5742 15.0639 34.6112 16.5961 -13.5405 17.8752 -1.97595 TIMING: 4771400 CPU: 13813.6, 0.00291546/step Wall: 13813.6, 0.00291546/step, 0.185132 hours remaining, 213.234375 MB of memory in use. ENERGY: 4771400 758.6785 2063.5557 1962.2650 106.9845 -205849.0637 17570.7796 0.0000 0.0000 34458.4140 -148928.3863 300.9339 -183386.8003 -148838.3786 299.9994 -85.5476 -57.2697 557917.0539 -3.8252 -3.8118 PRESSURE: 4771600 -139.043 -127.595 -18.6124 -127.594 -56.6298 -119.72 -18.6116 -119.722 -154.669 GPRESSURE: 4771600 -166.532 -116.813 -20.5828 -176.55 -28.4482 -167.752 -93.6917 -117.338 -53.505 PRESSAVG: 4771600 2.10446 21.5501 26.1875 21.5501 12.3314 -50.8765 26.1876 -50.8765 -34.0081 GPRESSAVG: 4771600 3.03856 22.497 26.6956 19.8145 11.5319 -51.2014 25.3533 -49.9881 -34.885 TIMING: 4771600 CPU: 13814.2, 0.00289864/step Wall: 13814.2, 0.00289864/step, 0.183902 hours remaining, 213.460938 MB of memory in use. ENERGY: 4771600 800.0990 2081.5029 1959.1916 119.4210 -206021.6992 17582.1418 0.0000 0.0000 34428.0359 -149051.3071 300.6686 -183479.3430 -148958.3183 300.5038 -116.7808 -82.8282 555356.6032 -6.5241 -6.7715 PRESSURE: 4771800 37.2083 -13.0497 -143.954 -13.0498 364.837 43.2114 -143.954 43.2117 247.987 GPRESSURE: 4771800 69.8315 63.1915 -2.37435 -69.1929 406.642 88.4018 -229.031 71.6173 258.671 PRESSAVG: 4771800 -27.2706 52.5824 -3.37355 52.5824 98.4876 -11.304 -3.37354 -11.304 -29.1058 GPRESSAVG: 4771800 -28.7087 51.7282 -3.16883 53.0706 99.91 -11.5761 -4.59631 -11.9712 -29.6873 TIMING: 4771800 CPU: 13814.8, 0.00290285/step Wall: 13814.8, 0.00290285/step, 0.184009 hours remaining, 213.460938 MB of memory in use. ENERGY: 4771800 773.6017 2112.3866 1977.2963 133.8935 -206552.1043 18124.2188 0.0000 0.0000 34536.4476 -148894.2598 301.6154 -183430.7074 -148808.0417 300.9027 216.6773 245.0482 556185.4699 14.0371 13.8380 PRESSURE: 4772000 -127.117 110.83 -109.168 110.829 -62.5771 41.534 -109.17 41.5358 -251.861 GPRESSURE: 4772000 -95.3298 62.2652 -106.077 88.0238 -53.3597 19.7783 -118.179 43.1538 -207.829 PRESSAVG: 4772000 -3.13416 69.9464 -34.2243 69.9465 6.53903 -0.580531 -34.2242 -0.580557 -16.706 GPRESSAVG: 4772000 -2.04419 68.1305 -34.7357 72.0612 4.64041 -2.88657 -32.5107 1.02203 -16.1111 TIMING: 4772000 CPU: 13815.4, 0.00287811/step Wall: 13815.4, 0.00287811/step, 0.18228 hours remaining, 213.460938 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: 4772000 748.8932 2107.5632 1976.6563 115.9022 -205814.2540 17478.6512 0.0000 0.0000 34575.2255 -148811.3623 301.9540 -183386.5878 -148716.6597 300.7727 -147.1850 -118.8397 557184.3470 -4.4337 -4.5050 PRESSURE: 4772200 14.2758 78.2617 -89.3184 78.2617 15.695 -48.7878 -89.3177 -48.7891 -48.8357 GPRESSURE: 4772200 46.9321 37.298 -96.8718 85.317 29.3346 -115.745 -36.9614 3.32773 18.9292 PRESSAVG: 4772200 -11.4333 51.3716 15.7041 51.3716 -11.7558 -28.8428 15.7042 -28.8429 0.135274 GPRESSAVG: 4772200 -12.5457 52.2031 17.9067 50.7928 -10.2094 -28.4336 13.2943 -28.7615 -0.0184113 TIMING: 4772200 CPU: 13815.9, 0.00292431/step Wall: 13815.9, 0.00292431/step, 0.185044 hours remaining, 213.460938 MB of memory in use. ENERGY: 4772200 738.0382 2135.6788 1946.7517 104.1615 -206027.2098 17759.7398 0.0000 0.0000 34285.8573 -149056.9826 299.4269 -183342.8399 -148954.6733 300.5244 -6.2883 31.7320 557824.9702 -7.6846 -7.5912 LDB: ============= START OF LOAD BALANCING ============== 13819.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13819.3 LDB: =============== DONE WITH MIGRATION ================ 13819.3 LDB: ============= START OF LOAD BALANCING ============== 13819.6 LDB: Largest compute 4773 load 0.029243 is 24.8% of average load 0.117956 LDB: Average compute 0.001734 is 1.5% of average load 0.117956 LDB: TIME 13819.6 LOAD: AVG 0.117956 MAX 0.180055 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.066 MB LDB: TIME 13819.6 LOAD: AVG 0.117956 MAX 0.180055 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.066 MB LDB: TIME 13819.6 LOAD: AVG 0.117956 MAX 0.180055 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13819.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13819.6 PRESSURE: 4772400 -337.145 -93.2304 82.2153 -93.2311 -112.633 7.34956 82.2155 7.34841 63.7037 GPRESSURE: 4772400 -327.039 -38.5942 14.2939 -99.8381 -35.9012 2.85142 98.7908 -24.8268 68.9795 PRESSAVG: 4772400 -11.1533 34.61 -31.2966 34.6099 -23.061 24.5705 -31.2966 24.5706 50.2677 GPRESSAVG: 4772400 -10.6032 37.1245 -33.8329 31.828 -23.0003 25.4634 -27.9311 22.9198 50.0935 TIMING: 4772400 CPU: 13816.5, 0.00295522/step Wall: 13816.5, 0.00295522/step, 0.186835 hours remaining, 212.292969 MB of memory in use. ENERGY: 4772400 713.8029 2060.2979 1960.1340 113.4820 -205919.2759 17568.5011 0.0000 0.0000 34478.6404 -149024.4175 301.1105 -183503.0579 -148922.3362 300.9628 -128.6916 -97.9869 559263.7770 5.3511 5.4967 PRESSURE: 4772600 -177.124 89.8898 29.0544 89.8894 -128.879 101.958 29.0535 101.959 139.14 GPRESSURE: 4772600 -174.027 61.5355 6.44966 75.358 -81.1191 70.8808 77.2077 128.377 178.634 PRESSAVG: 4772600 -44.5028 46.9474 -25.7091 46.9475 -3.73796 51.6775 -25.7092 51.6776 38.7481 GPRESSAVG: 4772600 -45.9929 45.4801 -24.6569 47.3225 -2.89169 52.5139 -28.8369 51.8664 39.6859 TIMING: 4772600 CPU: 13817.1, 0.00287413/step Wall: 13817.1, 0.00287413/step, 0.181549 hours remaining, 212.753906 MB of memory in use. ENERGY: 4772600 786.8394 2064.8124 1951.3550 123.2498 -205800.2386 17878.7561 0.0000 0.0000 34234.5598 -148760.6660 298.9789 -182995.2259 -148673.2678 300.9073 -55.6207 -25.5039 559012.1624 -3.1642 -3.0662 PRESSURE: 4772800 -244.941 126.272 -216.835 126.271 6.1081 91.1708 -216.835 91.1732 -47.205 GPRESSURE: 4772800 -173.889 49.933 -194.254 99.8439 -5.49989 82.5022 -176.589 23.6618 -6.79065 PRESSAVG: 4772800 -52.6921 48.9248 7.08894 48.9247 1.82467 -25.1776 7.08889 -25.1775 13.7807 GPRESSAVG: 4772800 -51.0925 48.3149 7.45341 50.5723 1.16424 -24.5815 8.0286 -25.4707 12.2656 TIMING: 4772800 CPU: 13817.7, 0.0028904/step Wall: 13817.7, 0.0028904/step, 0.182416 hours remaining, 212.753906 MB of memory in use. ENERGY: 4772800 801.0352 2099.2880 1934.5167 110.0276 -205677.6135 17614.0267 0.0000 0.0000 34374.3682 -148744.3510 300.1999 -183118.7192 -148654.8444 301.3622 -95.3460 -62.0597 558910.7922 -12.3623 -12.5542 PRESSURE: 4773000 199.882 48.4445 17.9607 48.4451 33.003 45.2843 17.9607 45.2833 -136.729 GPRESSURE: 4773000 152.021 40.8335 47.4695 105.677 137.938 31.0826 130.052 51.6952 -90.3281 PRESSAVG: 4773000 -55.3955 106.776 -39.4225 106.776 65.3532 -11.4735 -39.4225 -11.4734 -15.9392 GPRESSAVG: 4773000 -55.7037 108.11 -41.1256 105.764 65.1442 -11.6687 -38.9716 -9.25112 -15.3215 TIMING: 4773000 CPU: 13818.3, 0.00289691/step Wall: 13818.3, 0.00289691/step, 0.182666 hours remaining, 212.753906 MB of memory in use. ENERGY: 4773000 745.6818 2119.2342 1936.3885 105.8040 -206492.5524 18055.0482 0.0000 0.0000 34589.8494 -148940.5463 302.0818 -183530.3957 -148843.6751 300.1652 32.0522 66.5438 559242.3743 -1.9938 -1.9603 PRESSURE: 4773200 -53.705 121.184 34.5723 121.185 -164.752 -40.5175 34.5723 -40.518 -39.5559 GPRESSURE: 4773200 -34.2712 90.1478 -5.9673 161.228 -108.639 17.1714 30.3329 7.56427 -21.3257 PRESSAVG: 4773200 -21.993 11.1056 -10.1638 11.1056 53.7296 -23.478 -10.1638 -23.478 -37.1415 GPRESSAVG: 4773200 -21.4429 9.62583 -9.27334 12.8206 54.4069 -22.8689 -11.3492 -27.3044 -37.9878 TIMING: 4773200 CPU: 13818.9, 0.0029385/step Wall: 13818.9, 0.0029385/step, 0.185126 hours remaining, 212.753906 MB of memory in use. ENERGY: 4773200 705.3097 2146.7983 1952.0713 116.4637 -206117.9124 17708.4574 0.0000 0.0000 34449.9915 -149038.8206 300.8603 -183488.8122 -148942.7880 299.9435 -86.0044 -54.7452 559012.9495 -1.8016 -1.6746 PRESSURE: 4773400 117.424 19.5851 36.0303 19.5845 210.88 -81.1849 36.0301 -81.1855 46.0168 GPRESSURE: 4773400 123.292 -22.0756 41.4186 43.8089 231.338 -39.4807 67.2818 -74.7195 114.609 PRESSAVG: 4773400 -22.6422 -11.5562 -2.26917 -11.5561 50.4222 19.4523 -2.26906 19.4522 6.17779 GPRESSAVG: 4773400 -23.2349 -11.3546 -2.58591 -12.2496 50.7849 19.1914 -1.49972 21.3938 6.81352 TIMING: 4773400 CPU: 13819.4, 0.00292455/step Wall: 13819.4, 0.00292455/step, 0.184084 hours remaining, 212.753906 MB of memory in use. ENERGY: 4773400 729.5623 2095.3483 1940.4491 110.2573 -206339.9727 17949.2832 0.0000 0.0000 34313.4383 -149201.6341 299.6678 -183515.0724 -149100.8183 299.3163 124.7734 156.4132 557390.0297 11.3193 11.4545 PRESSURE: 4773600 -68.9635 196.928 37.4773 196.927 -8.07172 16.8087 37.4783 16.8079 -455.378 GPRESSURE: 4773600 -4.84641 187.05 26.3524 235.79 -8.1448 28.9244 65.4396 -11.3182 -435.258 PRESSAVG: 4773600 -22.981 10.5375 -46.5413 10.5374 93.6245 -41.9341 -46.5413 -41.9341 -79.7596 GPRESSAVG: 4773600 -23.1987 11.8784 -45.0142 8.78222 93.4077 -42.6323 -46.945 -41.2484 -79.2953 TIMING: 4773600 CPU: 13820, 0.00291886/step Wall: 13820, 0.00291886/step, 0.183564 hours remaining, 212.753906 MB of memory in use. ENERGY: 4773600 727.6012 2020.0777 1945.8046 112.7277 -205832.0965 17481.7626 0.0000 0.0000 34402.7144 -149141.4082 300.4475 -183544.1226 -149028.9357 299.4826 -177.4711 -149.4162 557932.8543 -3.0387 -3.0288 PRESSURE: 4773800 -208.208 -107.843 -22.6031 -107.842 -499.307 -385.879 -22.6031 -385.88 -252.77 GPRESSURE: 4773800 -213.608 -54.0179 -42.7913 -183.303 -393.31 -239.722 -57.7231 -434.342 -267.985 PRESSAVG: 4773800 33.6312 11.1351 5.20113 11.1352 -57.0407 -66.2761 5.20114 -66.2761 -2.73948 GPRESSAVG: 4773800 33.9016 11.7518 5.07963 9.79777 -56.3443 -66.459 4.79449 -66.8207 -3.33767 TIMING: 4773800 CPU: 13820.6, 0.00291379/step Wall: 13820.6, 0.00291379/step, 0.183083 hours remaining, 212.753906 MB of memory in use. ENERGY: 4773800 772.5506 2089.5892 1960.2938 94.9418 -205818.9239 17466.5818 0.0000 0.0000 34398.4879 -149036.4788 300.4106 -183434.9667 -148940.1298 299.2043 -320.0953 -291.6344 558155.6947 -8.7163 -8.5935 PRESSURE: 4774000 32.3479 4.68527 -40.9494 4.68473 -79.3129 -5.86821 -40.9489 -5.86628 -219.972 GPRESSURE: 4774000 39.514 -43.873 -51.0658 100.173 -10.6968 -111.098 18.5265 8.249 -196.708 PRESSAVG: 4774000 -2.63371 -9.17433 -51.9824 -9.17429 -22.9595 1.42802 -51.9823 1.42802 83.8058 GPRESSAVG: 4774000 -3.18144 -11.9316 -52.6014 -5.3923 -23.0015 1.32155 -51.4302 1.4404 85.0229 TIMING: 4774000 CPU: 13821.2, 0.00290583/step Wall: 13821.2, 0.00290583/step, 0.182421 hours remaining, 212.753906 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: 4774000 775.5862 2135.9895 1939.4330 116.7341 -205821.8154 17636.1390 0.0000 0.0000 34226.3797 -148991.5538 298.9075 -183217.9335 -148887.5922 300.4180 -88.9789 -55.9637 556474.8880 19.4042 19.6133 PRESSURE: 4774200 282.434 -19.7805 143.429 -19.7812 -66.3619 -47.6045 143.429 -47.6054 -93.3936 GPRESSURE: 4774200 334.857 -68.1572 61.7582 69.0828 -73.1435 -76.8136 224.761 -178.247 -44.2764 PRESSAVG: 4774200 -31.2849 -22.872 49.746 -22.872 0.391716 0.454351 49.746 0.454334 3.67159 GPRESSAVG: 4774200 -30.6387 -22.6173 48.6562 -24.855 -0.256031 0.517589 49.6107 -0.0384106 3.7196 TIMING: 4774200 CPU: 13821.8, 0.0029012/step Wall: 13821.8, 0.0029012/step, 0.18197 hours remaining, 212.753906 MB of memory in use. ENERGY: 4774200 752.6884 2046.2986 1958.3811 116.9519 -206168.9208 17860.7547 0.0000 0.0000 34474.5369 -148959.3092 301.0747 -183433.8460 -148859.1246 300.2285 40.8928 72.4790 558157.4997 -9.0739 -9.0584 PRESSURE: 4774400 -53.0111 80.6299 161.738 80.6293 23.5723 16.1547 161.738 16.1528 47.6974 GPRESSURE: 4774400 -33.9579 69.2506 126.877 112.884 39.8869 59.6956 70.4356 -4.54799 102.284 PRESSAVG: 4774400 10.5327 -19.9266 67.843 -19.9264 -37.893 23.658 67.8431 23.6581 38.3012 GPRESSAVG: 4774400 9.56408 -18.3276 69.4138 -22.415 -36.5449 23.0784 67.7409 23.5007 38.2022 TIMING: 4774400 CPU: 13822.4, 0.00289685/step Wall: 13822.4, 0.00289685/step, 0.181536 hours remaining, 212.753906 MB of memory in use. ENERGY: 4774400 795.3306 2107.3233 1980.5425 116.5236 -206026.3695 17815.4757 0.0000 0.0000 34192.7203 -149018.4535 298.6135 -183211.1739 -148924.6751 299.9958 6.0862 36.0708 556426.5449 3.6469 3.7405 PRESSURE: 4774600 46.9613 49.1687 -17.1261 49.1683 52.3684 -70.1372 -17.1242 -70.1364 51.4279 GPRESSURE: 4774600 24.9407 61.511 8.39289 -41.3222 87.3532 -24.8073 -58.6124 -39.33 134.935 PRESSAVG: 4774600 -51.6152 -12.2412 35.7063 -12.2412 58.5029 -54.3533 35.7063 -54.3533 11.4859 GPRESSAVG: 4774600 -49.5387 -13.743 34.2259 -9.87777 57.1066 -52.7612 37.4534 -55.6683 11.1873 TIMING: 4774600 CPU: 13822.9, 0.00292141/step Wall: 13822.9, 0.00292141/step, 0.182913 hours remaining, 212.753906 MB of memory in use. ENERGY: 4774600 726.7025 2117.3006 1952.9029 106.6730 -206230.2223 17880.6790 0.0000 0.0000 34321.3480 -149124.6162 299.7369 -183445.9642 -149026.8142 300.1485 50.2525 82.4097 557879.8242 6.1245 6.2517 PRESSURE: 4774800 -258.296 -49.1973 79.9184 -49.1959 -7.05521 -3.12464 79.9184 -3.12522 119.008 GPRESSURE: 4774800 -225.191 -137.569 24.6159 -50.9304 59.6322 -38.332 69.492 26.8887 103.308 PRESSAVG: 4774800 -51.3245 9.59629 -6.78521 9.59633 33.5138 6.54792 -6.78523 6.54786 59.7889 GPRESSAVG: 4774800 -51.7297 9.43148 -7.31452 9.07011 33.6286 5.21939 -8.85526 8.59024 60.107 TIMING: 4774800 CPU: 13823.5, 0.00290012/step Wall: 13823.5, 0.00290012/step, 0.181419 hours remaining, 212.808594 MB of memory in use. ENERGY: 4774800 749.9754 2063.1641 1964.0378 109.1271 -206068.0545 17884.1302 0.0000 0.0000 34177.2721 -149120.3480 298.4786 -183297.6200 -149024.3225 299.1444 -48.7810 -20.7503 558680.6860 13.9927 14.0020 PRESSURE: 4775000 26.1437 -86.8805 39.5704 -86.8792 -96.4574 -42.8991 39.5716 -42.8987 175.589 GPRESSURE: 4775000 115.175 -42.1742 49.0679 -111.147 -75.1686 -43.7175 47.2863 3.39063 168.305 PRESSAVG: 4775000 7.62884 -43.0671 -47.2535 -43.067 -99.1017 4.86654 -47.2535 4.86664 74.3532 GPRESSAVG: 4775000 7.71654 -42.5588 -47.5347 -43.862 -98.5568 6.50755 -47.4051 4.31148 73.8423 TIMING: 4775000 CPU: 13824.1, 0.00289351/step Wall: 13824.1, 0.00289351/step, 0.180844 hours remaining, 212.808594 MB of memory in use. ENERGY: 4775000 745.7893 2140.4310 1910.3501 108.6830 -206078.5884 17777.2644 0.0000 0.0000 34311.2817 -149084.7887 299.6490 -183396.0705 -148990.5677 299.4491 35.0917 69.4370 558501.3910 -5.7066 -5.6660 PRESSURE: 4775200 -345.682 -179.327 -128.976 -179.327 -28.6568 -200.185 -128.976 -200.185 90.7369 GPRESSURE: 4775200 -275.531 -158.832 -82.1168 -129.452 -21.4231 -249.161 -27.942 -125.023 103.753 PRESSAVG: 4775200 -57.954 -74.6263 21.6351 -74.6264 24.3857 11.0218 21.6351 11.0218 58.8187 GPRESSAVG: 4775200 -58.0224 -73.8296 22.471 -73.5379 24.29 11.1363 23.1074 11.0189 58.5812 TIMING: 4775200 CPU: 13824.7, 0.00289978/step Wall: 13824.7, 0.00289978/step, 0.181075 hours remaining, 212.808594 MB of memory in use. ENERGY: 4775200 784.8211 2038.7103 1902.2457 120.2662 -206056.2529 17821.2013 0.0000 0.0000 34271.7815 -149117.2268 299.3040 -183389.0083 -149018.9882 299.6314 -94.5339 -64.4002 557833.2444 8.4168 8.2829 PRESSURE: 4775400 223.81 -31.8995 -67.4656 -31.9005 97.9692 -119.322 -67.4662 -119.322 -53.6616 GPRESSURE: 4775400 218.934 -28.6641 -58.9854 -72.9909 179.479 -140.859 -66.136 -200.529 -8.02719 PRESSAVG: 4775400 9.50074 11.0864 2.68096 11.0864 5.71048 -38.9995 2.68096 -38.9995 -32.5642 GPRESSAVG: 4775400 10.5599 11.0833 2.33653 9.73135 5.28299 -39.2294 2.13772 -40.6364 -32.6468 TIMING: 4775400 CPU: 13825.3, 0.00291969/step Wall: 13825.3, 0.00291969/step, 0.182156 hours remaining, 212.808594 MB of memory in use. ENERGY: 4775400 718.7084 2076.5267 1938.6665 105.9710 -206352.6018 17917.2317 0.0000 0.0000 34388.1882 -149207.3093 300.3206 -183595.4976 -149109.3960 299.6449 89.3724 130.1288 556257.8679 -5.7843 -5.6013 PRESSURE: 4775600 52.2091 96.342 1.09263 96.3422 46.3417 -39.4904 1.09322 -39.4906 -20.5023 GPRESSURE: 4775600 110.003 68.6848 7.93408 127.563 70.8833 7.20753 -59.1034 -94.5974 -5.50427 PRESSAVG: 4775600 3.45432 -30.6289 -18.2736 -30.6288 55.8366 17.9183 -18.2736 17.9182 -60.32 GPRESSAVG: 4775600 2.1338 -32.2798 -17.9277 -29.0938 55.046 18.1127 -18.9512 19.6668 -58.9128 TIMING: 4775600 CPU: 13825.8, 0.00287472/step Wall: 13825.8, 0.00287472/step, 0.179191 hours remaining, 212.808594 MB of memory in use. ENERGY: 4775600 738.1411 2108.8119 1944.2328 127.6041 -206222.7171 17890.8201 0.0000 0.0000 34284.9408 -149128.1663 299.4189 -183413.1071 -149033.2447 299.5135 26.0161 58.4608 558488.0173 -0.3430 -0.5777 PRESSURE: 4775800 224.941 34.6345 -64.7574 34.6338 68.2718 -82.4961 -64.7573 -82.4969 164.58 GPRESSURE: 4775800 205.642 -2.42149 -68.5007 107.008 167.534 -17.1472 -43.0933 -117.424 194.073 PRESSAVG: 4775800 52.4726 16.4201 -54.1289 16.4201 -52.315 -21.2021 -54.1289 -21.2022 -16.4378 GPRESSAVG: 4775800 51.86 18.9064 -55.2171 14.5393 -51.7217 -22.5641 -53.5975 -21.1619 -16.4449 TIMING: 4775800 CPU: 13826.4, 0.00290125/step Wall: 13826.4, 0.00290125/step, 0.180684 hours remaining, 212.839844 MB of memory in use. ENERGY: 4775800 699.9583 2104.6743 1955.9257 105.7853 -206323.3251 17907.6226 0.0000 0.0000 34434.4252 -149114.9337 300.7244 -183549.3589 -149018.4918 299.1177 152.5979 189.0834 557102.8434 -5.4267 -5.4356 PRESSURE: 4776000 -95.1475 33.3413 93.8552 33.3407 -17.3983 99.9065 93.8562 99.9054 88.476 GPRESSURE: 4776000 -112.386 0.934026 39.016 139.37 56.3268 37.6653 142.916 140.146 131.871 PRESSAVG: 4776000 36.2767 30.7455 -16.9765 30.7455 13.4974 42.3706 -16.9763 42.3706 -43.2516 GPRESSAVG: 4776000 35.2328 27.2268 -15.0275 32.4566 14.7993 43.9026 -17.0231 40.317 -44.1773 TIMING: 4776000 CPU: 13827, 0.00290968/step Wall: 13827, 0.00290968/step, 0.181047 hours remaining, 212.839844 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: 4776000 708.5087 2073.2475 1955.3752 111.2404 -206019.8102 17804.5326 0.0000 0.0000 34289.3082 -149077.5977 299.4571 -183366.9059 -148968.8048 299.7165 -8.0233 25.2707 558159.3491 2.1742 1.9516 PRESSURE: 4776200 -138.658 -6.63616 93.216 -6.63528 -80.5058 13.4091 93.2166 13.4076 -219.361 GPRESSURE: 4776200 -89.6636 5.32917 90.485 -16.995 -91.985 -20.7186 90.2986 102.445 -155.178 PRESSAVG: 4776200 -1.332 48.4234 -69.7837 48.4235 57.37 -13.5875 -69.7838 -13.5874 -24.3357 GPRESSAVG: 4776200 0.0334765 49.5363 -70.7061 48.9563 55.6097 -16.3374 -70.3813 -11.9454 -24.0108 TIMING: 4776200 CPU: 13827.6, 0.00290091/step Wall: 13827.6, 0.00290091/step, 0.18034 hours remaining, 212.839844 MB of memory in use. ENERGY: 4776200 755.5987 2115.5002 1969.0780 118.8669 -206110.5564 17607.2160 0.0000 0.0000 34363.7916 -149180.5050 300.1075 -183544.2966 -149076.5634 299.2249 -146.1749 -112.2755 556402.2487 10.5674 10.5441 LDB: ============= START OF LOAD BALANCING ============== 13831 LDB: ============== END OF LOAD BALANCING =============== 13831 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13831 LDB: ============= START OF LOAD BALANCING ============== 13831.3 LDB: Largest compute 4773 load 0.028637 is 24.3% of average load 0.117932 LDB: Average compute 0.001738 is 1.5% of average load 0.117932 LDB: TIME 13831.3 LOAD: AVG 0.117932 MAX 0.180111 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.016 MB LDB: TIME 13831.3 LOAD: AVG 0.117932 MAX 0.180111 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.078 MB LDB: TIME 13831.3 LOAD: AVG 0.117932 MAX 0.180111 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.078 MB LDB: ============== END OF LOAD BALANCING =============== 13831.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13831.3 PRESSURE: 4776400 34.6935 158.079 -12.8334 158.079 -76.856 137.508 -12.8336 137.507 86.2459 GPRESSURE: 4776400 67.552 158.896 -9.79869 58.954 -69.9416 -33.5441 -5.85744 183.803 139.457 PRESSAVG: 4776400 -28.3052 38.5161 -15.346 38.5162 52.6964 4.33872 -15.346 4.33871 5.27412 GPRESSAVG: 4776400 -28.2121 37.3307 -14.5623 38.4993 52.5391 3.69492 -15.7102 4.46308 5.71668 TIMING: 4776400 CPU: 13828.2, 0.00297895/step Wall: 13828.2, 0.00297895/step, 0.185026 hours remaining, 213.175781 MB of memory in use. ENERGY: 4776400 741.7343 2076.1752 1947.7849 109.5981 -206076.6488 17728.2620 0.0000 0.0000 34211.4761 -149261.6183 298.7773 -183473.0944 -149161.5286 299.6445 14.6945 45.6892 557470.9797 9.8885 10.0146 PRESSURE: 4776600 57.4907 -11.6213 -113.977 -11.6199 26.7891 -66.451 -113.977 -66.4514 158.043 GPRESSURE: 4776600 98.7168 35.316 -167.793 -46.4946 83.9928 -95.9071 -69.5142 -142.124 151.073 PRESSAVG: 4776600 -8.05954 65.3137 14.9377 65.3137 -6.20145 -22.0932 14.9375 -22.0933 52.4059 GPRESSAVG: 4776600 -7.49313 66.0854 14.4815 64.3529 -5.63147 -20.1072 14.7335 -21.9589 51.1717 TIMING: 4776600 CPU: 13828.8, 0.00291538/step Wall: 13828.8, 0.00291538/step, 0.180916 hours remaining, 213.375000 MB of memory in use. ENERGY: 4776600 737.3929 2137.8150 1947.9048 106.9415 -206206.5562 17837.4237 0.0000 0.0000 34242.0689 -149197.0094 299.0445 -183439.0783 -149094.7562 298.9431 80.7741 111.2609 557030.3584 12.7150 12.6823 PRESSURE: 4776800 -164.51 136.02 -135.406 136.021 64.4018 53.174 -135.407 53.1768 151.041 GPRESSURE: 4776800 -92.2103 194.498 -139.245 154.045 130.716 129.588 -41.0019 64.5301 110.445 PRESSAVG: 4776800 -1.40581 16.4447 47.4364 16.4446 -14.5804 -40.5775 47.4363 -40.5775 -43.9538 GPRESSAVG: 4776800 -2.35244 16.5855 47.8212 18.1834 -14.9786 -38.4495 46.6214 -40.2133 -43.1598 TIMING: 4776800 CPU: 13829.3, 0.00292483/step Wall: 13829.3, 0.00292483/step, 0.18134 hours remaining, 213.375000 MB of memory in use. ENERGY: 4776800 775.3698 2104.2438 1975.1013 134.7334 -206293.8192 17780.0706 0.0000 0.0000 34379.1784 -149145.1220 300.2419 -183524.3004 -149050.3158 299.6272 16.9778 49.6503 556487.2523 -19.9800 -20.1636 PRESSURE: 4777000 -229.696 51.0468 151.379 51.0452 -184.712 -145.071 151.379 -145.072 -260.44 GPRESSURE: 4777000 -195.224 -91.7338 108.377 189.861 -161.853 -176.704 119.442 -128.371 -222.174 PRESSAVG: 4777000 -33.1404 -23.4463 23.7899 -23.4463 57.1591 -19.7897 23.7899 -19.7897 -2.83641 GPRESSAVG: 4777000 -32.587 -23.2364 21.7464 -24.3468 57.098 -20.4532 26.2506 -21.3214 -3.42275 TIMING: 4777000 CPU: 13829.9, 0.00292955/step Wall: 13829.9, 0.00292955/step, 0.181469 hours remaining, 213.375000 MB of memory in use. ENERGY: 4777000 733.3674 2116.6586 1970.1351 108.3666 -205952.0101 17499.0595 0.0000 0.0000 34487.2692 -149037.1537 301.1859 -183524.4229 -148931.6359 300.8601 -224.9494 -193.0834 557992.7200 7.0608 7.0294 PRESSURE: 4777200 -48.4747 21.6986 -96.9554 21.6975 -34.1764 70.5492 -96.9548 70.5491 -243.452 GPRESSURE: 4777200 28.8545 95.1954 11.1347 -29.5131 -27.0646 -45.9587 -150.431 110.042 -215.486 PRESSAVG: 4777200 26.1129 -6.16243 -70.562 -6.16251 -15.9854 28.9958 -70.5621 28.9958 -33.7093 GPRESSAVG: 4777200 27.2203 -5.24414 -69.8484 -6.74701 -15.4537 26.686 -70.3159 30.3581 -35.2032 TIMING: 4777200 CPU: 13830.5, 0.00290829/step Wall: 13830.5, 0.00290829/step, 0.179991 hours remaining, 213.375000 MB of memory in use. ENERGY: 4777200 783.8547 2146.4962 1929.4053 128.0392 -206028.6426 17753.4221 0.0000 0.0000 34088.8017 -149198.6233 297.7060 -183287.4250 -149108.0869 299.9967 -108.7012 -71.2319 556827.9173 -7.8606 -7.8122 PRESSURE: 4777400 -134.932 34.8291 -5.92541 34.8286 -240.181 87.8624 -5.92446 87.8637 -217.928 GPRESSURE: 4777400 -99.7709 7.41124 -59.7439 46.6983 -226.512 76.9178 0.163131 17.6615 -164.455 PRESSAVG: 4777400 -48.6404 30.1589 -26.5443 30.1589 9.56299 12.7722 -26.5442 12.7721 47.125 GPRESSAVG: 4777400 -48.2975 29.8237 -27.6851 30.2222 8.79536 14.2479 -26.2728 11.5289 46.874 TIMING: 4777400 CPU: 13831.1, 0.00291501/step Wall: 13831.1, 0.00291501/step, 0.180245 hours remaining, 213.375000 MB of memory in use. ENERGY: 4777400 749.8657 2071.8045 1977.1309 114.4933 -205886.4441 17568.0109 0.0000 0.0000 34146.3693 -149258.7695 298.2087 -183405.1389 -149160.8084 299.0773 -197.6803 -163.5794 557204.5730 2.6825 2.4573 PRESSURE: 4777600 78.5655 85.9889 55.7255 85.9891 -143.703 -106.101 55.7268 -106.1 -1.57141 GPRESSURE: 4777600 133.299 63.7925 173.007 138.633 -60.9343 -53.9049 -13.7928 -139.713 -47.685 PRESSAVG: 4777600 12.1925 -42.1199 -0.94038 -42.1198 19.3199 2.3233 -0.940352 2.32325 -2.56799 GPRESSAVG: 4777600 10.9729 -40.2136 1.08563 -43.3044 21.6739 2.05779 -3.24703 3.54246 -3.23936 TIMING: 4777600 CPU: 13831.7, 0.00293143/step Wall: 13831.7, 0.00293143/step, 0.181097 hours remaining, 213.375000 MB of memory in use. ENERGY: 4777600 728.6937 2094.4407 1949.3976 105.8126 -206221.8654 17708.9797 0.0000 0.0000 34223.4930 -149411.0481 298.8823 -183634.5411 -149309.2297 299.5761 -22.2363 8.2264 556334.2594 9.6481 9.8025 PRESSURE: 4777800 -274.505 143.133 -137.455 143.133 -99.6281 -156.714 -137.454 -156.714 -116.106 GPRESSURE: 4777800 -254.847 186.48 -36.3883 145.968 -7.79591 -119.422 -187.597 -230.627 -126.719 PRESSAVG: 4777800 22.0268 41.388 -43.2617 41.3879 17.6058 -25.0642 -43.2618 -25.0643 -60.2308 GPRESSAVG: 4777800 23.6588 40.5758 -43.2869 44.2254 16.0877 -26.3401 -42.9474 -24.2748 -59.7947 TIMING: 4777800 CPU: 13832.3, 0.0029059/step Wall: 13832.3, 0.0029059/step, 0.179358 hours remaining, 213.375000 MB of memory in use. ENERGY: 4777800 749.8183 2073.2531 1972.0738 122.6366 -205814.7313 17495.8992 0.0000 0.0000 34239.7873 -149161.2629 299.0246 -183401.0502 -149065.4711 299.2308 -163.4132 -129.7873 558011.2629 -6.8661 -6.6827 PRESSURE: 4778000 32.2376 199.883 -112.14 199.883 -129.609 -12.1483 -112.142 -12.1493 -360.2 GPRESSURE: 4778000 32.919 223.719 -82.8638 116.731 -95.2986 -58.0077 -93.5757 57.9093 -295.011 PRESSAVG: 4778000 35.8279 -40.9808 -34.6075 -40.9808 -9.76042 -22.3538 -34.6075 -22.3539 -19.7454 GPRESSAVG: 4778000 34.862 -42.3325 -35.0893 -43.5864 -9.79696 -21.5677 -34.5502 -22.8544 -18.5429 TIMING: 4778000 CPU: 13832.8, 0.00292205/step Wall: 13832.8, 0.00292205/step, 0.180193 hours remaining, 213.375000 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: 4778000 751.9694 2079.3832 1955.1501 133.3974 -205597.5959 17517.7140 0.0000 0.0000 34082.5862 -149077.3957 297.6517 -183159.9818 -148984.1318 299.2206 -152.5241 -119.1302 559275.4622 2.1074 2.1741 PRESSURE: 4778200 -13.0833 -101.992 196.372 -101.993 -104.765 -41.5277 196.373 -41.5281 -121.068 GPRESSURE: 4778200 -9.22396 -96.1591 155.657 -33.3604 -45.1237 35.373 237.915 -12.8506 -80.9605 PRESSAVG: 4778200 -22.295 3.99146 -17.8718 3.99149 70.6733 13.3533 -17.8718 13.3533 -6.95178 GPRESSAVG: 4778200 -22.1761 3.78925 -17.8847 4.30375 70.5713 12.9625 -17.883 11.1543 -6.64993 TIMING: 4778200 CPU: 13833.4, 0.00290583/step Wall: 13833.4, 0.00290583/step, 0.179032 hours remaining, 213.375000 MB of memory in use. ENERGY: 4778200 729.5149 2100.7289 1960.2805 118.3303 -206120.2996 17799.3422 0.0000 0.0000 34224.2079 -149187.8949 298.8885 -183412.1028 -149090.0285 299.2958 -79.6390 -45.1027 557843.0697 13.8088 13.9151 PRESSURE: 4778400 33.689 -109.996 -193.704 -109.996 -103.467 -162.701 -193.705 -162.701 69.7803 GPRESSURE: 4778400 55.5399 -73.6445 -150.99 -119.496 -40.275 -175.542 -212.167 -113.764 77.1635 PRESSAVG: 4778400 45.8103 22.7779 39.3364 22.7779 5.90818 -56.5963 39.3363 -56.5963 -40.8649 GPRESSAVG: 4778400 46.2937 22.9593 39.9247 25.0664 7.3696 -55.4062 40.6694 -55.3199 -42.4444 TIMING: 4778400 CPU: 13834, 0.0028982/step Wall: 13834, 0.0028982/step, 0.178401 hours remaining, 213.375000 MB of memory in use. ENERGY: 4778400 729.6498 2061.1472 1975.2104 108.9908 -206240.4104 17889.7393 0.0000 0.0000 34153.2001 -149322.4729 298.2684 -183475.6730 -149226.6981 299.2574 0.0006 30.8095 557202.0994 3.6179 3.7396 PRESSURE: 4778600 -322.327 -0.635349 58.6597 -0.633793 -393.667 144.919 58.6595 144.919 65.0344 GPRESSURE: 4778600 -244.293 -101.569 75.3473 -1.84911 -364.55 195.733 30.885 99.2178 47.3172 PRESSAVG: 4778600 60.923 0.105713 6.42652 0.105867 18.1856 -42.3754 6.42658 -42.3753 -41.2871 GPRESSAVG: 4778600 60.9037 -1.2603 5.16838 0.981727 16.5931 -41.605 7.21875 -43.1998 -39.7804 TIMING: 4778600 CPU: 13834.6, 0.00289148/step Wall: 13834.6, 0.00289148/step, 0.177826 hours remaining, 213.375000 MB of memory in use. ENERGY: 4778600 740.1081 2054.3105 1957.0245 114.9698 -206370.8997 17791.5229 0.0000 0.0000 34461.5222 -149251.4417 300.9610 -183712.9640 -149148.5916 299.2912 -216.9867 -187.1755 559820.0324 12.6071 12.5721 PRESSURE: 4778800 -16.0129 98.1162 -112.481 98.116 250.825 52.3996 -112.481 52.4013 68.2145 GPRESSURE: 4778800 39.6973 71.0855 -108.374 140.365 277.02 -15.041 -69.7788 37.0845 84.2385 PRESSAVG: 4778800 -46.2585 63.7729 10.0635 63.773 59.5127 32.9481 10.0635 32.9481 10.6047 GPRESSAVG: 4778800 -45.9921 65.9671 11.5588 62.7401 59.26 29.9334 10.4362 32.5847 9.99708 TIMING: 4778800 CPU: 13835.2, 0.00289936/step Wall: 13835.2, 0.00289936/step, 0.17815 hours remaining, 213.375000 MB of memory in use. ENERGY: 4778800 727.3679 2095.9364 1969.9956 117.9642 -206310.8702 18090.8024 0.0000 0.0000 34022.6256 -149286.1781 297.1281 -183308.8037 -149192.7128 298.9039 101.0089 133.6518 559256.5361 7.9530 7.7550 PRESSURE: 4779000 14.5074 -44.7939 -43.3563 -44.7939 -107.999 39.0006 -43.3564 39.0011 119.506 GPRESSURE: 4779000 23.7791 -37.2051 49.4072 -78.9849 -59.271 10.2222 -198.814 51.527 147.615 PRESSAVG: 4779000 16.9172 67.0034 -31.5095 67.0035 32.0486 -4.85015 -31.5095 -4.85014 5.45905 GPRESSAVG: 4779000 16.1937 65.4383 -33.3581 66.6202 34.2092 -3.69144 -31.9207 -3.7748 4.58917 TIMING: 4779000 CPU: 13835.7, 0.00289517/step Wall: 13835.7, 0.00289517/step, 0.177731 hours remaining, 213.375000 MB of memory in use. ENERGY: 4779000 761.0750 2078.4424 1949.5093 105.9944 -206427.8483 17900.5923 0.0000 0.0000 34289.1947 -149343.0402 299.4561 -183632.2348 -149244.7857 298.2684 8.6715 37.3745 557644.4075 18.1416 18.3307 PRESSURE: 4779200 355.81 -170.122 -160.761 -170.122 -101.694 -28.0633 -160.76 -28.0623 189.092 GPRESSURE: 4779200 307.365 -151.232 -243.457 -211.161 -24.3016 -34.1856 -100.311 -78.9385 263.385 PRESSAVG: 4779200 14.9228 -4.08718 -98.7837 -4.08718 -20.801 -27.3753 -98.7837 -27.3752 -23.9569 GPRESSAVG: 4779200 14.8717 -3.58078 -96.5043 -3.76347 -21.7127 -29.3805 -102.05 -28.014 -22.7989 TIMING: 4779200 CPU: 13836.3, 0.002891/step Wall: 13836.3, 0.002891/step, 0.177314 hours remaining, 213.375000 MB of memory in use. ENERGY: 4779200 725.1280 2075.9825 1955.4947 118.6358 -206579.7466 18225.1220 0.0000 0.0000 34290.1690 -149189.2145 299.4646 -183479.3835 -149086.5355 299.2492 147.7359 182.1494 558768.1877 -9.9450 -9.8799 PRESSURE: 4779400 -175.757 -135.557 19.0203 -135.557 21.3567 -80.2129 19.0197 -80.2137 -122.496 GPRESSURE: 4779400 -112.27 -92.6468 -65.3104 -107.843 -0.0251548 -3.11208 32.9649 -73.8622 -71.3802 PRESSAVG: 4779400 37.7151 16.8773 -64.401 16.8773 -102.088 -8.9629 -64.4009 -8.96298 56.624 GPRESSAVG: 4779400 37.4201 15.2879 -65.4179 17.8367 -102.256 -7.36765 -62.1753 -9.28613 57.6742 TIMING: 4779400 CPU: 13836.9, 0.002913/step Wall: 13836.9, 0.002913/step, 0.178502 hours remaining, 213.375000 MB of memory in use. ENERGY: 4779400 777.9253 2017.4306 1958.3116 115.6420 -205710.1978 17659.6952 0.0000 0.0000 34136.0285 -149045.1647 298.1184 -183181.1932 -148949.9287 299.0027 -92.2987 -61.2250 559721.3270 -2.5830 -2.3873 PRESSURE: 4779600 -60.0989 146.044 -30.0179 146.044 -57.0576 -35.6161 -30.0175 -35.617 13.5964 GPRESSURE: 4779600 -59.6884 89.6896 5.74426 138.552 8.96073 28.6803 -40.0328 -68.7936 36.1144 PRESSAVG: 4779600 7.73372 7.2074 -106.219 7.20739 1.90203 -20.5555 -106.219 -20.5556 2.29226 GPRESSAVG: 4779600 8.78213 9.63689 -108.231 6.99314 1.49138 -19.3232 -106.181 -20.8189 1.05996 TIMING: 4779600 CPU: 13837.5, 0.00289193/step Wall: 13837.5, 0.00289193/step, 0.17705 hours remaining, 213.375000 MB of memory in use. ENERGY: 4779600 747.5429 2157.2806 1941.9216 115.9491 -206268.0031 17941.0566 0.0000 0.0000 34266.8178 -149097.4345 299.2606 -183364.2522 -149001.1247 299.7258 -34.5200 -4.8711 558825.9240 3.9760 3.7778 PRESSURE: 4779800 -5.8256 3.52513 -43.0246 3.52605 -33.251 71.4287 -43.0255 71.4273 -37.034 GPRESSURE: 4779800 16.4796 -87.4264 -54.986 2.58141 26.2834 102.227 -61.6536 55.2179 -27.5423 PRESSAVG: 4779800 28.8853 -3.41279 -60.7994 -3.41287 29.0967 23.3858 -60.7995 23.3859 -38.8111 GPRESSAVG: 4779800 29.2651 -3.15486 -60.233 -5.03164 28.1428 20.5708 -60.0061 24.5167 -38.2923 TIMING: 4779800 CPU: 13838.1, 0.00291631/step Wall: 13838.1, 0.00291631/step, 0.178381 hours remaining, 213.375000 MB of memory in use. ENERGY: 4779800 752.6407 2108.0270 1964.8635 111.0308 -206366.2768 17854.8154 0.0000 0.0000 34514.9276 -149059.9717 301.4274 -183574.8994 -148964.3177 300.7092 -25.3702 5.0736 557727.2479 6.3903 6.3719 PRESSURE: 4780000 43.714 43.9583 85.0423 43.9591 -89.9344 -4.68246 85.0405 -4.68264 -40.8257 GPRESSURE: 4780000 22.1217 2.1669 46.4139 28.8815 -29.2532 -22.6721 101.38 -34.9309 20.978 PRESSAVG: 4780000 10.2489 -4.26457 -24.7067 -4.26464 -24.1934 -28.5375 -24.7069 -28.5374 -0.678601 GPRESSAVG: 4780000 9.02822 -3.17449 -22.9247 -6.66143 -22.9977 -27.8848 -27.5172 -27.9959 -0.673094 TIMING: 4780000 CPU: 13838.6, 0.00290029/step Wall: 13838.6, 0.00290029/step, 0.17724 hours remaining, 213.375000 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: 4780000 735.2648 2081.5822 1955.0641 110.1533 -206135.0271 17758.3821 0.0000 0.0000 34290.3775 -149204.2032 299.4664 -183494.5807 -149099.4979 299.9348 -29.0153 4.6155 557164.4091 -4.8744 -4.8809 PRESSURE: 4780200 -160.276 43.6837 63.8369 43.6814 92.5599 -1.08781 63.8373 -1.08698 -105.899 GPRESSURE: 4780200 -158.162 8.36687 70.9697 43.6191 93.6562 57.2784 78.4673 -56.1784 -14.4777 PRESSAVG: 4780200 8.46209 -35.9519 18.2949 -35.9519 42.427 1.66177 18.295 1.66182 -8.25638 GPRESSAVG: 4780200 9.28923 -36.7806 19.4601 -33.109 41.9964 3.4545 20.6879 0.00124009 -8.82723 TIMING: 4780200 CPU: 13839.2, 0.00291037/step Wall: 13839.2, 0.00291037/step, 0.177694 hours remaining, 213.375000 MB of memory in use. ENERGY: 4780200 768.8957 2097.2708 1975.8497 112.0638 -206175.4705 17847.2046 0.0000 0.0000 34243.1490 -149131.0369 299.0539 -183374.1859 -149039.1689 299.4612 -57.8719 -26.3279 557866.2944 14.2109 14.1528 LDB: ============= START OF LOAD BALANCING ============== 13842.6 LDB: ============== END OF LOAD BALANCING =============== 13842.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13842.6 LDB: ============= START OF LOAD BALANCING ============== 13842.9 LDB: Largest compute 4773 load 0.027267 is 23.1% of average load 0.117974 LDB: Average compute 0.001727 is 1.5% of average load 0.117974 LDB: TIME 13842.9 LOAD: AVG 0.117974 MAX 0.181871 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.984 MB LDB: TIME 13842.9 LOAD: AVG 0.117974 MAX 0.181871 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.188 MB LDB: TIME 13842.9 LOAD: AVG 0.117974 MAX 0.181871 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.188 MB LDB: ============== END OF LOAD BALANCING =============== 13842.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13842.9 PRESSURE: 4780400 246.464 53.8617 52.0233 53.8612 64.6907 37.1824 52.024 37.1816 131.206 GPRESSURE: 4780400 303.91 110.542 73.8833 11.0853 82.1623 -61.752 81.6437 27.1853 157.309 PRESSAVG: 4780400 70.6787 16.6609 -38.0751 16.6609 -83.6244 40.9703 -38.0752 40.9704 -7.49113 GPRESSAVG: 4780400 70.2679 16.4891 -39.2938 15.8301 -82.9795 37.5707 -39.7875 42.0137 -7.89057 TIMING: 4780400 CPU: 13839.8, 0.00295337/step Wall: 13839.8, 0.00295337/step, 0.180155 hours remaining, 213.039062 MB of memory in use. ENERGY: 4780400 714.8460 2147.9411 1958.7733 116.8280 -206668.5775 18122.3662 0.0000 0.0000 34352.6620 -149255.1609 300.0103 -183607.8230 -149149.5037 300.2250 147.4537 181.1269 557012.0258 -6.8123 -6.8674 PRESSURE: 4780600 13.9047 -109.541 -57.5039 -109.54 -135.992 -54.9877 -57.5031 -54.9878 -333.589 GPRESSURE: 4780600 70.7154 -93.481 -95.3319 -93.5462 -148.759 -21.5219 -126.205 -66.4651 -283.613 PRESSAVG: 4780600 25.6008 14.5499 -21.5268 14.5499 -39.808 22.1694 -21.5268 22.1694 37.9425 GPRESSAVG: 4780600 25.6549 14.7693 -22.6526 14.9711 -39.2188 22.0654 -20.6538 25.0188 37.4414 TIMING: 4780600 CPU: 13840.4, 0.00290382/step Wall: 13840.4, 0.00290382/step, 0.176972 hours remaining, 213.039062 MB of memory in use. ENERGY: 4780600 739.0562 2127.8593 1947.8761 123.2765 -206096.5383 17820.0520 0.0000 0.0000 34130.7279 -149207.6903 298.0721 -183338.4182 -149109.9179 299.4186 -151.8922 -120.5521 558923.0149 7.9118 7.9592 PRESSURE: 4780800 -103.658 108.479 103.119 108.477 -169.803 61.6293 103.119 61.6302 164.946 GPRESSURE: 4780800 -112.544 96.4827 165.57 142.677 -117.039 71.3542 34.4411 26.163 225.534 PRESSAVG: 4780800 -21.7977 -26.5955 -29.9535 -26.5955 -37.2832 -11.7592 -29.9535 -11.7592 35.6375 GPRESSAVG: 4780800 -21.345 -26.8047 -28.9761 -25.7766 -38.1427 -9.64576 -28.7727 -13.7945 36.6121 TIMING: 4780800 CPU: 13841, 0.00294337/step Wall: 13841, 0.00294337/step, 0.179219 hours remaining, 213.039062 MB of memory in use. ENERGY: 4780800 742.7740 2076.6920 1942.0496 133.7893 -206494.9939 18013.8046 0.0000 0.0000 34268.7810 -149317.1033 299.2778 -183585.8843 -149219.2885 298.9653 -36.1717 -1.3497 559024.0658 -7.8145 -7.6252 PRESSURE: 4781000 -312.177 -57.8441 -78.6689 -57.8453 192.026 7.16005 -78.669 7.15938 -239.376 GPRESSURE: 4781000 -227.864 -149.271 2.20488 21.3457 168.914 -1.51297 -132.843 -13.617 -189.772 PRESSAVG: 4781000 13.4505 -47.5721 -16.8834 -47.5722 -66.7851 19.1355 -16.8833 19.1356 19.4335 GPRESSAVG: 4781000 13.0258 -48.0961 -17.7031 -47.3301 -67.4919 18.7317 -17.3036 16.4129 20.3782 TIMING: 4781000 CPU: 13841.6, 0.00290858/step Wall: 13841.6, 0.00290858/step, 0.176939 hours remaining, 213.039062 MB of memory in use. ENERGY: 4781000 743.5378 2092.7137 1947.2687 116.8546 -206133.1409 17675.3324 0.0000 0.0000 34195.4849 -149361.9488 298.6377 -183557.4337 -149267.1174 299.3627 -119.8420 -82.9073 557860.2079 -11.3004 -11.3627 PRESSURE: 4781200 -177.642 -4.91754 32.2892 -4.91914 -72.8662 -0.397173 32.2899 -0.395437 -55.3626 GPRESSURE: 4781200 -105.364 24.0933 -0.474344 -12.0148 -50.812 -54.5659 30.0195 42.4915 -66.736 PRESSAVG: 4781200 15.4817 -13.0582 16.8978 -13.0583 -49.0246 48.5652 16.8978 48.5651 6.93736 GPRESSAVG: 4781200 16.9685 -12.5158 17.5265 -13.8206 -48.2603 47.0429 15.5424 50.7403 4.69534 TIMING: 4781200 CPU: 13842.1, 0.00288096/step Wall: 13842.1, 0.00288096/step, 0.175099 hours remaining, 213.039062 MB of memory in use. ENERGY: 4781200 755.3777 2050.9749 1923.1145 116.0061 -206486.5740 17863.1689 0.0000 0.0000 34456.9501 -149320.9816 300.9211 -183777.9317 -149222.5522 298.6425 -101.9570 -74.3038 557517.9276 -8.8685 -8.8655 PRESSURE: 4781400 -76.7979 -232.702 -48.3841 -232.702 116.291 147.712 -48.3837 147.712 105.442 GPRESSURE: 4781400 -69.7044 -198.044 -79.8179 -179.134 176.379 114.725 -125.85 94.0398 133.484 PRESSAVG: 4781400 -33.7998 -0.735919 1.07284 -0.735941 32.7029 57.3014 1.07287 57.3013 26.8837 GPRESSAVG: 4781400 -35.0006 -0.7379 0.924242 -0.517479 32.1607 57.9036 1.49254 55.2165 28.6917 TIMING: 4781400 CPU: 13842.7, 0.00287978/step Wall: 13842.7, 0.00287978/step, 0.174867 hours remaining, 213.039062 MB of memory in use. ENERGY: 4781400 714.7472 2087.0777 1969.3873 107.9535 -206619.0688 18011.8748 0.0000 0.0000 34446.7412 -149281.2871 300.8320 -183728.0283 -149181.5978 299.4428 48.3116 80.0529 556240.1380 8.5956 8.6173 PRESSURE: 4781600 -135.679 59.7854 16.0316 59.7846 42.206 16.6892 16.0331 16.6905 30.8546 GPRESSURE: 4781600 -94.2652 99.6171 92.1371 109.403 44.8255 -37.686 -48.99 28.1976 99.9094 PRESSAVG: 4781600 -45.495 -2.08946 -63.5792 -2.08952 18.223 20.7289 -63.5793 20.7291 -16.3244 GPRESSAVG: 4781600 -43.9309 -2.686 -61.3555 -1.42115 18.5982 22.0099 -64.5052 22.5061 -18.18 TIMING: 4781600 CPU: 13843.3, 0.00291028/step Wall: 13843.3, 0.00291029/step, 0.176557 hours remaining, 213.039062 MB of memory in use. ENERGY: 4781600 775.5453 2102.2765 1956.8232 109.2547 -206304.9432 17870.5638 0.0000 0.0000 34323.2801 -149167.1994 299.7537 -183490.4796 -149073.0593 298.9371 -20.8728 16.8232 557086.0908 -14.5321 -14.5042 PRESSURE: 4781800 -321.135 -121.439 101.986 -121.439 37.7566 -118.818 101.986 -118.817 85.5812 GPRESSURE: 4781800 -261.954 -83.8054 110.891 -113.104 49.6872 -80.3089 105.658 -159.527 99.0655 PRESSAVG: 4781800 -31.6032 40.0276 61.1725 40.0276 105.022 13.9302 61.1724 13.9302 -51.6145 GPRESSAVG: 4781800 -33.5076 41.259 60.4285 39.2693 104.555 13.18 63.0686 14.6587 -49.0543 TIMING: 4781800 CPU: 13843.9, 0.00289523/step Wall: 13843.9, 0.00289523/step, 0.175483 hours remaining, 213.039062 MB of memory in use. ENERGY: 4781800 755.5822 2063.7725 1943.6626 117.2675 -205932.8464 17703.7326 0.0000 0.0000 34053.9578 -149294.8711 297.4017 -183348.8289 -149200.4955 299.2359 -65.9324 -37.7338 558702.6352 7.2682 7.3311 PRESSURE: 4782000 104.818 -45.9838 189.103 -45.9846 -387.044 -65.7584 189.102 -65.7581 -37.4741 GPRESSURE: 4782000 106.825 -27.4095 252.109 -133.95 -348.213 5.63214 203.377 24.4523 10.9708 PRESSAVG: 4782000 -58.4766 64.216 90.4304 64.216 4.57696 22.5127 90.4304 22.5128 46.6762 GPRESSAVG: 4782000 -57.2698 61.8663 89.1896 65.4211 4.45987 23.6257 87.7419 20.1664 45.9258 TIMING: 4782000 CPU: 13844.5, 0.0029451/step Wall: 13844.5, 0.0029451/step, 0.178342 hours remaining, 213.039062 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: 4782000 732.7570 2072.9111 1917.7164 115.7329 -205927.6157 17617.3951 0.0000 0.0000 34191.7691 -149279.3340 298.6052 -183471.1031 -149175.7624 299.0979 -106.5665 -76.8058 557365.6149 -2.4078 -2.2947 PRESSURE: 4782200 -71.0988 -34.1603 -73.0187 -34.16 183.778 -192.714 -73.0184 -192.715 202.457 GPRESSURE: 4782200 -25.7451 38.7595 -63.4825 -60.6764 235.526 -189.681 -39.7494 -250 196.595 PRESSAVG: 4782200 -4.99838 20.5018 -3.76641 20.5018 36.3953 -6.45369 -3.76641 -6.45372 -31.0431 GPRESSAVG: 4782200 -5.60369 23.4192 -2.81654 19.0271 36.8705 -8.4254 -1.16488 -4.49143 -31.1753 TIMING: 4782200 CPU: 13845, 0.0029072/step Wall: 13845, 0.0029072/step, 0.175886 hours remaining, 213.039062 MB of memory in use. ENERGY: 4782200 724.8984 2103.8310 1941.8070 111.9023 -206288.8989 18011.2445 0.0000 0.0000 34217.0824 -149178.1334 298.8263 -183395.2158 -149083.5166 299.2750 105.0457 135.4587 557549.5939 0.1179 0.0305 PRESSURE: 4782400 -29.0458 -12.201 19.4617 -12.2003 -51.8746 -16.53 19.463 -16.5302 134.189 GPRESSURE: 4782400 6.12693 78.8894 -52.4031 83.6115 6.99213 -15.884 12.5134 74.2167 140.901 PRESSAVG: 4782400 -56.4126 24.0683 19.1934 24.0683 99.1615 -21.2274 19.1934 -21.2274 -15.4104 GPRESSAVG: 4782400 -56.8706 23.3323 17.4579 23.7166 98.5064 -21.5509 20.1704 -21.7693 -14.3147 TIMING: 4782400 CPU: 13845.6, 0.00290226/step Wall: 13845.6, 0.00290226/step, 0.175425 hours remaining, 213.039062 MB of memory in use. ENERGY: 4782400 735.3170 2125.9427 1970.3895 114.4177 -206211.3854 17852.9540 0.0000 0.0000 34287.2980 -149125.0664 299.4395 -183412.3644 -149029.1623 299.1361 17.7561 51.3402 557376.8250 9.1128 9.1070 PRESSURE: 4782600 -0.00977147 77.3959 -55.535 77.3963 -181.552 34.1496 -55.5351 34.1506 -103.833 GPRESSURE: 4782600 45.9581 113.218 -34.2691 62.6535 -137.644 103.608 2.73067 5.09868 -98.9995 PRESSAVG: 4782600 6.44808 25.3055 -12.5435 25.3054 -0.960297 -67.2189 -12.5435 -67.2189 14.7161 GPRESSAVG: 4782600 7.35684 25.3498 -12.3118 26.7068 -0.521141 -67.9022 -13.5357 -67.0367 13.0513 TIMING: 4782600 CPU: 13846.2, 0.00292139/step Wall: 13846.2, 0.00292139/step, 0.17642 hours remaining, 213.039062 MB of memory in use. ENERGY: 4782600 751.8044 2132.5014 1965.9393 116.1147 -205974.1654 17664.2740 0.0000 0.0000 34098.0228 -149245.5086 297.7865 -183343.5315 -149151.8838 299.3909 -95.1315 -63.5617 558261.9039 6.7346 6.6290 PRESSURE: 4782800 118.24 35.6571 101.543 35.6575 -25.9273 120.552 101.542 120.552 -36.9843 GPRESSURE: 4782800 138.653 37.6845 200.141 9.49874 7.55155 223.564 78.5864 74.5593 -0.491238 PRESSAVG: 4782800 63.6626 28.7674 31.045 28.7674 -86.5431 -32.0651 31.0451 -32.065 0.259093 GPRESSAVG: 4782800 63.4951 26.9422 31.1318 28.2491 -86.2596 -31.7975 31.7064 -31.5469 0.468182 TIMING: 4782800 CPU: 13846.8, 0.00295017/step Wall: 13846.8, 0.00295017/step, 0.177994 hours remaining, 213.039062 MB of memory in use. ENERGY: 4782800 745.9094 2074.3224 1948.1531 122.3358 -206091.6282 17835.0658 0.0000 0.0000 34232.3818 -149133.4600 298.9599 -183365.8418 -149031.5689 299.3652 18.4429 48.5710 558276.5507 -7.5405 -7.4321 PRESSURE: 4783000 -251.644 10.8494 214.114 10.8505 -72.6014 -19.886 214.113 -19.8864 16.6297 GPRESSURE: 4783000 -234.679 95.6793 224.027 -6.42968 -100.935 8.94059 158.906 7.21428 124.414 PRESSAVG: 4783000 67.9388 -15.6238 78.9308 -15.6238 -47.1651 41.4155 78.9309 41.4155 -5.83198 GPRESSAVG: 4783000 67.1339 -16.8687 79.2422 -14.2743 -47.4938 42.5986 77.2898 42.0893 -4.24942 TIMING: 4783000 CPU: 13847.4, 0.00291993/step Wall: 13847.4, 0.00291993/step, 0.176007 hours remaining, 213.039062 MB of memory in use. ENERGY: 4783000 746.6769 2088.1841 1955.0253 119.7528 -206110.7706 17713.3336 0.0000 0.0000 34335.8137 -149151.9844 299.8632 -183487.7981 -149057.0929 299.2951 -102.5385 -70.4001 556287.0380 4.9806 5.1302 PRESSURE: 4783200 286.78 56.6617 -37.3039 56.6618 -58.0851 -48.5058 -37.3036 -48.5036 84.6511 GPRESSURE: 4783200 299.65 53.7963 3.35976 100.069 -42.7347 -120.675 -67.7288 10.2167 155.366 PRESSAVG: 4783200 -11.3503 11.9659 4.7288 11.9659 -33.8743 90.7275 4.72889 90.7276 31.1542 GPRESSAVG: 4783200 -10.4186 14.2339 5.05159 11.5092 -35.0558 90.9845 4.53423 88.6176 31.2296 TIMING: 4783200 CPU: 13848, 0.00291064/step Wall: 13848, 0.00291064/step, 0.175285 hours remaining, 213.039062 MB of memory in use. ENERGY: 4783200 709.7166 2098.8188 1954.5160 106.7575 -206260.8577 17746.1770 0.0000 0.0000 34361.5045 -149283.3672 300.0876 -183644.8717 -149181.8340 299.1632 104.4487 137.4272 555518.2383 -4.6901 -4.7482 PRESSURE: 4783400 -156.632 -31.6773 -150.557 -31.677 108.736 -51.3679 -150.557 -51.3672 -30.945 GPRESSURE: 4783400 -142.179 -30.6411 -236.414 31.0994 119.302 -88.1014 -207.637 -39.4538 42.7799 PRESSAVG: 4783400 -19.0459 -27.1603 -53.3452 -27.1603 -24.4689 -13.0702 -53.3451 -13.0701 12.6022 GPRESSAVG: 4783400 -19.285 -27.9466 -51.8894 -27.1994 -23.1831 -14.8723 -54.1951 -11.2571 11.5293 TIMING: 4783400 CPU: 13848.6, 0.00290757/step Wall: 13848.6, 0.00290757/step, 0.174939 hours remaining, 213.039062 MB of memory in use. ENERGY: 4783400 741.3479 2124.3910 1957.3593 113.5740 -205953.5489 17412.1590 0.0000 0.0000 34301.1132 -149303.6044 299.5602 -183604.7176 -149209.9714 299.1833 -26.2805 6.6345 554144.1745 -10.3042 -10.3129 PRESSURE: 4783600 -109.353 99.5868 -139.85 99.5859 -384.428 172.786 -139.849 172.785 154.311 GPRESSURE: 4783600 -117.712 66.8032 -6.32718 77.1518 -308.626 226.312 -206.501 220.882 188.854 PRESSAVG: 4783600 -37.2681 -73.1402 21.1176 -73.1403 -18.2554 18.6826 21.1176 18.6826 35.1185 GPRESSAVG: 4783600 -36.6221 -73.3908 18.6369 -74.2361 -19.2838 18.5879 24.273 17.1082 35.2972 TIMING: 4783600 CPU: 13849.1, 0.00294703/step Wall: 13849.1, 0.00294703/step, 0.177149 hours remaining, 213.039062 MB of memory in use. ENERGY: 4783600 776.9617 2120.8294 1941.1691 116.4449 -206039.1563 17353.9159 0.0000 0.0000 34420.2460 -149309.5894 300.6006 -183729.8354 -149216.0053 299.2229 -113.1567 -79.1611 554907.9703 -6.8017 -6.8696 PRESSURE: 4783800 33.3949 21.8067 37.4751 21.806 -278.773 1.81835 37.4756 1.81761 -112.278 GPRESSURE: 4783800 45.7945 65.5675 62.0559 50.1739 -198.273 -18.1146 65.1433 -50.6418 -114.857 PRESSAVG: 4783800 24.9786 2.61066 22.5126 2.61066 -12.0069 40.3294 22.5126 40.3293 -12.4932 GPRESSAVG: 4783800 24.4247 2.22547 22.4658 4.58895 -12.0748 41.8879 21.0901 41.0954 -12.3515 TIMING: 4783800 CPU: 13849.7, 0.00289448/step Wall: 13849.7, 0.00289448/step, 0.17383 hours remaining, 213.039062 MB of memory in use. ENERGY: 4783800 768.1585 2131.6976 1965.9537 123.1867 -206075.1761 17663.1518 0.0000 0.0000 34188.7443 -149234.2834 298.5788 -183423.0277 -149138.7382 299.0966 -119.2187 -89.1118 556086.8362 0.1595 -0.0006 PRESSURE: 4784000 -121.761 35.5367 -19.0566 35.535 -49.7705 37.302 -19.0569 37.3014 -16.9923 GPRESSURE: 4784000 -78.9712 83.3895 -92.7955 63.4478 1.59239 17.1941 -21.7434 69.9892 -24.6898 PRESSAVG: 4784000 -1.75109 2.32902 64.0024 2.32901 -18.4978 43.5475 64.0024 43.5476 22.8295 GPRESSAVG: 4784000 -2.1755 2.39201 65.0521 0.62308 -18.491 42.9922 63.3705 45.0766 23.196 TIMING: 4784000 CPU: 13850.3, 0.002898/step Wall: 13850.3, 0.002898/step, 0.17388 hours remaining, 213.039062 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: 4784000 739.1023 2115.3307 1962.5755 111.8028 -206231.5479 17769.6670 0.0000 0.0000 34394.9739 -149138.0957 300.3799 -183533.0695 -149039.4838 299.5999 -62.8413 -34.0229 557393.4967 0.8602 0.8432 PRESSURE: 4784200 -151.694 -201.317 139.036 -201.315 58.075 -34.3058 139.035 -34.3059 225.535 GPRESSURE: 4784200 -143.366 -210.766 103.762 -260.3 111.683 -57.5122 126.042 9.12684 258.104 PRESSAVG: 4784200 24.681 -12.9887 6.02531 -12.9885 -52.0463 18.8803 6.02533 18.8804 32.2795 GPRESSAVG: 4784200 25.8851 -12.9382 5.79407 -12.6577 -51.833 21.1496 7.87981 16.0347 31.0668 TIMING: 4784200 CPU: 13850.9, 0.00291787/step Wall: 13850.9, 0.00291787/step, 0.17491 hours remaining, 213.039062 MB of memory in use. ENERGY: 4784200 768.4589 2099.3954 1932.7428 119.4832 -206408.9608 17836.9577 0.0000 0.0000 34843.2586 -148808.6642 304.2948 -183651.9228 -148715.2225 300.0439 43.9721 75.4739 557020.6622 1.6381 1.7063 LDB: ============= START OF LOAD BALANCING ============== 13854.3 LDB: ============== END OF LOAD BALANCING =============== 13854.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13854.3 LDB: ============= START OF LOAD BALANCING ============== 13854.6 LDB: Largest compute 4773 load 0.030747 is 26.1% of average load 0.117981 LDB: Average compute 0.001732 is 1.5% of average load 0.117981 LDB: TIME 13854.6 LOAD: AVG 0.117981 MAX 0.179577 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.488 MB LDB: TIME 13854.6 LOAD: AVG 0.117981 MAX 0.179577 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.488 MB LDB: TIME 13854.6 LOAD: AVG 0.117981 MAX 0.179577 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.488 MB LDB: ============== END OF LOAD BALANCING =============== 13854.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13854.6 PRESSURE: 4784400 -211.652 45.844 43.0056 45.8436 -250.431 -34.8171 43.0051 -34.8176 184.25 GPRESSURE: 4784400 -176.045 103.051 35.6338 -0.866335 -226.734 -59.11 41.0954 70.1541 214.1 PRESSAVG: 4784400 -43.4881 -74.7204 31.8626 -74.7204 16.669 -30.9079 31.8625 -30.908 34.5599 GPRESSAVG: 4784400 -43.6321 -74.6412 31.9979 -75.2693 15.8559 -33.066 32.832 -29.8647 35.5916 TIMING: 4784400 CPU: 13851.5, 0.00297351/step Wall: 13851.5, 0.00297351/step, 0.17808 hours remaining, 213.238281 MB of memory in use. ENERGY: 4784400 787.8614 2071.6049 1965.8850 122.9827 -205983.9804 17640.1717 0.0000 0.0000 34441.4119 -148954.0628 300.7854 -183395.4748 -148856.0346 301.0359 -92.6110 -62.8930 556676.3755 2.5803 2.6052 PRESSURE: 4784600 257.61 28.8113 33.2648 28.8123 -449.314 87.9244 33.2643 87.9259 -136.847 GPRESSURE: 4784600 306.63 119.034 130.211 -114.102 -418.361 151.826 -128.326 135.343 -108.249 PRESSAVG: 4784600 4.56583 -64.9914 2.20046 -64.9913 -91.8058 41.2285 2.2005 41.2285 96.6148 GPRESSAVG: 4784600 4.86048 -63.8634 1.7199 -64.8647 -90.5593 41.1903 0.680028 41.8561 95.531 TIMING: 4784600 CPU: 13852.1, 0.00292614/step Wall: 13852.1, 0.00292614/step, 0.175081 hours remaining, 213.441406 MB of memory in use. ENERGY: 4784600 756.4581 2053.6992 1971.3464 113.9878 -206037.1029 17818.3789 0.0000 0.0000 34384.2438 -148938.9888 300.2862 -183323.2325 -148837.3695 300.5531 -109.5169 -73.3264 558261.0215 3.1249 3.2774 PRESSURE: 4784800 -27.7162 -62.4936 72.9895 -62.4931 -303.649 44.5044 72.99 44.5058 -212.05 GPRESSURE: 4784800 -4.11921 19.0744 61.1975 12.3534 -210.476 -18.237 44.306 42.908 -222.869 PRESSAVG: 4784800 26.1174 8.81977 23.0484 8.81989 -25.6986 53.146 23.0485 53.146 2.11897 GPRESSAVG: 4784800 26.0541 9.50333 23.1643 7.82749 -25.9704 52.2911 24.8103 50.7745 2.62692 TIMING: 4784800 CPU: 13852.6, 0.00292031/step Wall: 13852.6, 0.00292031/step, 0.17457 hours remaining, 213.441406 MB of memory in use. ENERGY: 4784800 798.3876 2049.3917 1955.6405 129.9162 -206046.8232 17623.3287 0.0000 0.0000 34449.5246 -149040.6338 300.8563 -183490.1584 -148934.0044 300.3309 -181.1385 -145.8211 556707.4129 0.8459 0.9035 PRESSURE: 4785000 -360.824 17.3378 24.7959 17.3387 -96.5026 101.769 24.7966 101.77 -190.447 GPRESSURE: 4785000 -280.668 51.9934 14.7853 42.8456 -89.9143 25.9037 -7.35205 97.225 -175.803 PRESSAVG: 4785000 -17.6735 21.4298 -25.2871 21.4297 20.335 28.8144 -25.2872 28.8144 -10.0582 GPRESSAVG: 4785000 -18.3803 21.0431 -25.492 20.8922 19.8085 28.0808 -26.6588 30.4348 -9.16555 TIMING: 4785000 CPU: 13853.2, 0.00292925/step Wall: 13853.2, 0.00292925/step, 0.174941 hours remaining, 213.441406 MB of memory in use. ENERGY: 4785000 779.6450 2142.4673 1965.2918 105.9660 -206010.2067 17642.6568 0.0000 0.0000 34338.5412 -149035.6386 299.8870 -183374.1798 -148939.4484 300.5842 -215.9245 -182.1281 556138.3727 -2.4656 -2.5791 PRESSURE: 4785200 -16.8333 -112.104 13.8689 -112.104 -29.2907 -6.42946 13.8692 -6.42838 -55.3952 GPRESSURE: 4785200 51.184 -156.994 -22.8721 -84.4909 33.2017 -17.6876 14.378 -23.4226 -89.1085 PRESSAVG: 4785200 13.2825 -8.99887 24.9894 -8.99887 3.92631 -2.25203 24.9894 -2.25207 -4.84846 GPRESSAVG: 4785200 13.7391 -11.2218 24.8098 -6.52004 5.20019 -1.99091 26.2505 -0.825497 -6.28539 TIMING: 4785200 CPU: 13853.8, 0.00289883/step Wall: 13853.8, 0.00289883/step, 0.172964 hours remaining, 213.441406 MB of memory in use. ENERGY: 4785200 686.9050 2127.1792 1945.8252 110.9320 -205981.2549 17609.4861 0.0000 0.0000 34387.0073 -149113.9201 300.3103 -183500.9274 -149020.2985 299.9971 -33.8397 -1.5743 555310.7598 4.1201 4.2180 PRESSURE: 4785400 -121.768 -34.6128 -146.118 -34.6127 121.422 -172.696 -146.117 -172.695 -59.0479 GPRESSURE: 4785400 -43.3208 -26.5999 -144.888 11.2295 65.8029 -138.215 -136.316 -153.43 11.442 PRESSAVG: 4785400 -28.4603 -58.8268 17.19 -58.8268 -50.9155 40.4472 17.1899 40.4472 12.0018 GPRESSAVG: 4785400 -28.7072 -57.9882 16.556 -59.9305 -52.8076 42.509 16.0236 39.2946 14.6502 TIMING: 4785400 CPU: 13854.4, 0.00292087/step Wall: 13854.4, 0.00292087/step, 0.174116 hours remaining, 213.441406 MB of memory in use. ENERGY: 4785400 744.9642 2027.1527 1936.7473 115.1494 -206014.9442 17666.1800 0.0000 0.0000 34436.5405 -149088.2101 300.7429 -183524.7506 -148993.6086 300.2888 -19.7982 11.3080 556743.4453 -22.4580 -22.2882 PRESSURE: 4785600 30.1276 -100.047 48.7217 -100.048 -58.0115 80.7124 48.7204 80.7146 -15.1886 GPRESSURE: 4785600 -26.1586 -191.353 -46.191 -66.4428 52.6176 56.9585 85.5191 151.554 20.1375 PRESSAVG: 4785600 34.9579 -6.27689 -35.759 -6.27692 -44.6458 -78.0962 -35.759 -78.0962 14.103 GPRESSAVG: 4785600 34.4828 -5.36358 -34.4057 -6.44461 -43.0549 -78.1071 -35.6217 -77.7784 12.4802 TIMING: 4785600 CPU: 13855, 0.00290299/step Wall: 13855, 0.00290299/step, 0.172889 hours remaining, 213.441406 MB of memory in use. ENERGY: 4785600 713.7089 2059.4567 1968.2518 117.6884 -205880.5409 17561.2894 0.0000 0.0000 34371.7644 -149088.3812 300.1772 -183460.1457 -148994.0883 299.6893 -14.3575 15.5322 557881.8426 1.4717 1.3027 PRESSURE: 4785800 -247.637 -43.1219 27.687 -43.1228 -19.5846 -53.2073 27.6874 -53.2062 -61.233 GPRESSURE: 4785800 -196.87 -31.64 59.9921 -47.5974 4.63 -64.2342 100.718 -24.0529 -36.6601 PRESSAVG: 4785800 -2.82185 37.628 27.1349 37.628 -7.14969 -21.1867 27.1348 -21.1867 2.79665 GPRESSAVG: 4785800 -3.21701 38.4955 25.6848 35.3402 -8.13921 -22.3772 27.9338 -21.5597 4.36106 TIMING: 4785800 CPU: 13855.6, 0.00290983/step Wall: 13855.6, 0.00290983/step, 0.173135 hours remaining, 213.441406 MB of memory in use. ENERGY: 4785800 742.0457 2062.4420 1935.0243 124.2361 -205964.9018 17611.4207 0.0000 0.0000 34374.9277 -149114.8053 300.2048 -183489.7331 -149021.1702 299.1989 -109.4847 -76.3000 557791.1627 -2.3916 -2.3317 PRESSURE: 4786000 26.761 168.762 -121.581 168.763 -30.0902 163.351 -121.582 163.352 37.8548 GPRESSURE: 4786000 35.7801 113.448 -127.756 160.715 18.4989 109.989 20.5114 106.691 83.9812 PRESSAVG: 4786000 0.20743 -19.5715 49.4836 -19.5716 14.7806 32.3631 49.4836 32.3632 -37.0287 GPRESSAVG: 4786000 -0.301059 -19.314 51.0994 -18.5354 14.7041 31.0575 48.6745 31.2408 -36.8636 TIMING: 4786000 CPU: 13856.1, 0.00291597/step Wall: 13856.1, 0.00291597/step, 0.173338 hours remaining, 213.441406 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: 4786000 741.0061 2092.3521 1932.8963 119.6836 -206351.0908 17921.3438 0.0000 0.0000 34264.0059 -149279.8029 299.2361 -183543.8088 -149185.3514 299.6944 11.5085 46.0867 556203.2488 -7.3469 -7.4868 PRESSURE: 4786200 267.514 12.2586 145.981 12.2578 280.056 127.559 145.983 127.559 85.8796 GPRESSURE: 4786200 267.886 9.26497 124.924 59.7611 320.683 128.782 67.5751 112.718 138.708 PRESSAVG: 4786200 -27.2451 20.8538 24.5978 20.8537 73.0593 -5.6779 24.5978 -5.67778 5.87668 GPRESSAVG: 4786200 -26.7291 19.2447 23.3981 21.4318 72.9501 -5.55826 22.6506 -5.48606 5.03416 TIMING: 4786200 CPU: 13856.7, 0.00292533/step Wall: 13856.7, 0.00292533/step, 0.173732 hours remaining, 213.441406 MB of memory in use. ENERGY: 4786200 730.5296 2115.5319 1967.2793 118.5271 -206288.0846 17753.4261 0.0000 0.0000 34310.3014 -149292.4892 299.6404 -183602.7906 -149197.0457 299.3849 211.1497 242.4256 555182.7068 17.2303 17.0850 PRESSURE: 4786400 -81.3882 -21.8482 75.3487 -21.8475 165.878 -64.4789 75.3508 -64.4792 -168.772 GPRESSURE: 4786400 -45.2896 26.9226 53.0638 -72.7847 187.281 -99.0413 91.2427 -64.2877 -138.788 PRESSAVG: 4786400 -7.77074 9.16735 -30.1593 9.16737 47.2961 82.2417 -30.1594 82.2417 -32.4405 GPRESSAVG: 4786400 -8.39694 10.6408 -30.7579 7.3046 47.2722 83.0097 -28.4029 81.7599 -32.1265 TIMING: 4786400 CPU: 13857.3, 0.00290754/step Wall: 13857.3, 0.00290754/step, 0.172514 hours remaining, 213.441406 MB of memory in use. ENERGY: 4786400 723.3093 2105.2175 1957.9037 110.3951 -206282.2546 17783.2780 0.0000 0.0000 34315.6536 -149286.4974 299.6871 -183602.1510 -149194.3012 299.0346 -28.0942 1.0676 557378.0184 2.3616 2.2496 PRESSURE: 4786600 -220.076 98.0298 -37.3212 98.03 -243.019 13.805 -37.3209 13.8051 -42.5934 GPRESSURE: 4786600 -171.724 71.57 17.9932 157.273 -199.402 82.6217 46.1246 21.0469 -26.657 PRESSAVG: 4786600 24.8292 -33.2368 -30.8148 -33.2368 74.1538 10.2874 -30.8148 10.2873 -71.386 GPRESSAVG: 4786600 25.3043 -34.5216 -29.0902 -31.0047 74.3086 9.93972 -29.8015 13.5345 -72.2515 TIMING: 4786600 CPU: 13857.9, 0.0029119/step Wall: 13857.9, 0.0029119/step, 0.172611 hours remaining, 213.441406 MB of memory in use. ENERGY: 4786600 780.2961 2035.9337 1962.6462 115.1338 -206356.0575 17738.4578 0.0000 0.0000 34464.8575 -149258.7323 300.9902 -183723.5899 -149168.1182 298.9237 -168.5628 -132.5944 556554.3580 9.1990 9.1204 PRESSURE: 4786800 77.8199 -12.6314 -115.054 -12.6326 -11.437 36.0257 -115.053 36.0255 24.1953 GPRESSURE: 4786800 73.0263 -49.2873 -101.829 -11.5163 59.1861 91.8844 -158.011 44.4067 67.7318 PRESSAVG: 4786800 8.65411 -7.06547 -3.51462 -7.06547 55.5487 24.7783 -3.51464 24.7783 -58.4488 GPRESSAVG: 4786800 8.68392 -6.54085 -3.77933 -5.29072 56.4753 25.975 -5.20825 23.441 -58.8338 TIMING: 4786800 CPU: 13858.5, 0.00293364/step Wall: 13858.5, 0.00293364/step, 0.173737 hours remaining, 213.441406 MB of memory in use. ENERGY: 4786800 760.8984 2067.3715 1929.8631 118.3055 -206197.1422 17782.9287 0.0000 0.0000 34424.0571 -149113.7179 300.6339 -183537.7750 -149016.9737 299.6659 30.1927 66.6481 556333.9125 1.9180 2.1085 PRESSURE: 4787000 -14.0723 18.5675 -37.5271 18.567 -108.414 116.073 -37.5268 116.073 -206.796 GPRESSURE: 4787000 42.593 -82.3779 -16.8252 81.4225 -57.3724 73.5846 20.1784 104.824 -206.652 PRESSAVG: 4787000 70.8607 -0.53803 60.9105 -0.538037 13.4863 -33.792 60.9105 -33.7921 -34.8005 GPRESSAVG: 4787000 70.7618 -0.120331 57.9372 -2.29065 13.5463 -33.5724 62.5254 -33.3762 -34.5615 TIMING: 4787000 CPU: 13859.1, 0.00291213/step Wall: 13859.1, 0.00291213/step, 0.172301 hours remaining, 213.441406 MB of memory in use. ENERGY: 4787000 785.3331 2115.0614 1952.2849 101.4342 -206310.3841 17801.4610 0.0000 0.0000 34328.5993 -149226.2103 299.8002 -183554.8096 -149130.9467 299.7073 -109.7609 -73.8103 557059.3130 16.5155 16.5822 PRESSURE: 4787200 -58.374 -134.235 26.338 -134.234 -321.66 40.8278 26.3374 40.8254 -93.0016 GPRESSURE: 4787200 -8.70974 -14.443 49.6609 -189.222 -330.445 2.55792 51.0714 157.068 -27.2861 PRESSAVG: 4787200 14.2022 -34.637 -5.17926 -34.637 16.2059 15.4476 -5.17924 15.4477 1.6131 GPRESSAVG: 4787200 14.6322 -33.5269 -3.53754 -34.856 16.6874 16.6251 -4.26631 14.5927 0.785092 TIMING: 4787200 CPU: 13859.6, 0.00292577/step Wall: 13859.6, 0.00292577/step, 0.172946 hours remaining, 213.441406 MB of memory in use. ENERGY: 4787200 757.0527 2071.8867 1945.5882 119.4329 -205750.6523 17479.6473 0.0000 0.0000 34263.4120 -149113.6326 299.2309 -183377.0446 -149017.3017 299.8208 -157.6784 -122.1469 556231.2921 10.6737 10.7016 PRESSURE: 4787400 229.057 135.576 5.04235 135.575 216.73 30.9854 5.04117 30.9867 199.881 GPRESSURE: 4787400 288.488 169.493 6.2347 47.9077 243.815 61.0331 -4.74099 -39.7987 237.384 PRESSAVG: 4787400 79.1027 -12.6298 -4.43704 -12.6297 0.188714 -17.8438 -4.43702 -17.8438 -63.275 GPRESSAVG: 4787400 77.9923 -12.3932 -1.31473 -13.715 -0.027589 -21.0878 -8.82018 -17.6015 -61.8038 TIMING: 4787400 CPU: 13860.2, 0.00292413/step Wall: 13860.2, 0.00292412/step, 0.172686 hours remaining, 213.441406 MB of memory in use. ENERGY: 4787400 736.3022 2083.1991 1953.7611 114.5126 -206323.9780 18200.4708 0.0000 0.0000 34287.0063 -148948.7258 299.4370 -183235.7321 -148845.9431 299.3959 215.2228 256.5626 556574.4661 5.3388 5.3870 PRESSURE: 4787600 105.133 -145.239 78.5222 -145.239 127.623 -3.34813 78.5228 -3.34604 43.7413 GPRESSURE: 4787600 130.843 -224.658 4.6207 -138.779 124.962 -5.92519 56.1223 42.0046 127.631 PRESSAVG: 4787600 57.7562 -57.148 39.4886 -57.1481 -2.53053 -6.72526 39.4885 -6.72522 -73.5974 GPRESSAVG: 4787600 58.6131 -57.9389 37.5489 -54.853 -3.49464 -5.42509 41.7264 -7.31288 -73.4393 TIMING: 4787600 CPU: 13860.8, 0.00290887/step Wall: 13860.8, 0.00290887/step, 0.171623 hours remaining, 213.441406 MB of memory in use. ENERGY: 4787600 742.7243 2123.2344 1943.5893 110.0851 -206270.4535 18105.7047 0.0000 0.0000 34306.0789 -148939.0368 299.6035 -183245.1157 -148840.5827 299.9389 92.1658 127.8119 557393.7920 -6.1239 -6.1069 PRESSURE: 4787800 -195.983 -55.0179 18.1738 -55.0181 146.934 -171.871 18.1737 -171.87 10.3526 GPRESSURE: 4787800 -130.981 -5.57998 -7.1783 -103.245 129.882 -171.2 92.2776 -149.213 52.4705 PRESSAVG: 4787800 66.1039 -32.2909 -2.67897 -32.2909 -9.31771 -6.0473 -2.67888 -6.04737 -46.9922 GPRESSAVG: 4787800 66.0663 -31.8498 -3.1592 -32.3444 -8.91621 -5.38154 -2.71049 -4.88878 -47.6942 TIMING: 4787800 CPU: 13861.4, 0.00290388/step Wall: 13861.4, 0.00290388/step, 0.171168 hours remaining, 213.441406 MB of memory in use. ENERGY: 4787800 754.3771 2039.9478 1906.8386 112.1653 -206062.7881 17967.9966 0.0000 0.0000 34283.6744 -148997.7883 299.4079 -183281.4626 -148893.9292 299.4717 -12.8991 17.1239 557956.6482 3.2647 3.1520 PRESSURE: 4788000 17.6693 -85.7442 -49.9739 -85.7434 -295.952 58.9918 -49.9739 58.9915 -418.493 GPRESSURE: 4788000 1.55015 -134.712 17.2928 -41.8262 -225.845 62.0883 -67.7228 98.0711 -382.694 PRESSAVG: 4788000 12.7243 6.1174 44.6456 6.11746 -107.701 -12.3685 44.6457 -12.3684 39.1709 GPRESSAVG: 4788000 13.3738 4.61306 45.7254 6.67616 -106.802 -14.1023 43.6513 -13.0902 37.9305 TIMING: 4788000 CPU: 13862, 0.00292328/step Wall: 13862, 0.00292328/step, 0.172148 hours remaining, 213.441406 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: 4788000 776.0144 2122.9775 1933.4873 119.8593 -205940.0630 17573.9187 0.0000 0.0000 34382.6730 -149031.1328 300.2724 -183413.8058 -148935.6241 299.2307 -232.2586 -202.3295 558708.6409 -18.6021 -18.4994 PRESSURE: 4788200 54.8702 -58.3895 40.7651 -58.3891 -235.292 68.0384 40.7648 68.038 -91.3923 GPRESSURE: 4788200 111.481 -44.39 68.9175 -188.543 -197.481 24.7794 46.7184 133.346 -89.8356 PRESSAVG: 4788200 -9.86424 40.1467 -19.5249 40.1467 -30.1769 -0.326314 -19.5249 -0.326422 -0.550315 GPRESSAVG: 4788200 -10.1074 41.5191 -19.9832 38.8824 -28.6233 2.10211 -18.6703 -3.70959 -1.25847 TIMING: 4788200 CPU: 13862.6, 0.00296123/step Wall: 13862.6, 0.00296123/step, 0.174219 hours remaining, 213.441406 MB of memory in use. ENERGY: 4788200 750.7552 2109.6230 1953.2164 101.7504 -205822.3375 17512.3818 0.0000 0.0000 34298.1179 -149096.4929 299.5340 -183394.6108 -148994.6203 300.0289 -90.6046 -58.6121 556112.3715 -13.5305 -13.3297 LDB: ============= START OF LOAD BALANCING ============== 13866 LDB: ============== END OF LOAD BALANCING =============== 13866 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13866 LDB: ============= START OF LOAD BALANCING ============== 13866.3 LDB: Largest compute 4773 load 0.030505 is 25.9% of average load 0.117925 LDB: Average compute 0.001734 is 1.5% of average load 0.117925 LDB: TIME 13866.3 LOAD: AVG 0.117925 MAX 0.182439 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.367 MB LDB: TIME 13866.3 LOAD: AVG 0.117925 MAX 0.182439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.57 MB LDB: TIME 13866.3 LOAD: AVG 0.117925 MAX 0.182439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13866.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13866.3 PRESSURE: 4788400 -144.658 41.3128 -50.9451 41.313 194.965 -110.01 -50.9465 -110.011 -122.953 GPRESSURE: 4788400 -104.59 50.2694 -77.3317 55.7681 208.812 -66.9459 -113.459 -113.833 -80.8097 PRESSAVG: 4788400 -6.69225 55.3301 -6.83699 55.3301 10.5037 -33.6489 -6.83703 -33.6489 14.6076 GPRESSAVG: 4788400 -8.2234 52.3042 -7.25056 58.187 8.67875 -34.5443 -7.01916 -30.6343 17.5071 TIMING: 4788400 CPU: 13863.2, 0.00300839/step Wall: 13863.2, 0.00300839/step, 0.176826 hours remaining, 213.117188 MB of memory in use. ENERGY: 4788400 781.1654 2040.9680 1938.0069 118.0126 -206018.8968 17746.9266 0.0000 0.0000 34380.1879 -149013.6292 300.2507 -183393.8171 -148915.9504 300.1741 -24.2155 7.8039 556653.0262 6.1397 5.9875 PRESSURE: 4788600 -293.394 -79.54 -40.9043 -79.5422 -166.15 156.42 -40.9052 156.422 43.3875 GPRESSURE: 4788600 -151.325 -10.3343 64.0769 -100.392 -214.289 141.692 -71.9473 162.2 53.4576 PRESSAVG: 4788600 7.17768 -68.7346 -10.6726 -68.7346 0.56619 15.6235 -10.6726 15.6235 18.2945 GPRESSAVG: 4788600 8.28902 -68.2551 -10.8912 -71.2798 -0.128512 12.939 -12.1831 16.3022 17.6088 TIMING: 4788600 CPU: 13863.8, 0.00294896/step Wall: 13863.8, 0.00294896/step, 0.17317 hours remaining, 213.117188 MB of memory in use. ENERGY: 4788600 776.8114 2102.1691 1914.4756 112.7153 -205569.2907 17338.9709 0.0000 0.0000 34195.2769 -149128.8716 298.6359 -183324.1485 -149031.3332 299.6758 -138.7188 -104.0522 557323.5268 8.6795 8.5898 PRESSURE: 4788800 61.4022 -107.547 163.653 -107.547 141.03 147.813 163.653 147.813 10.4318 GPRESSURE: 4788800 115.842 -99.2607 179.911 -112.75 154.014 65.6047 182.208 106.252 50.7463 PRESSAVG: 4788800 -39.9425 -47.7505 -48.1294 -47.7505 -19.872 -10.3562 -48.1295 -10.3561 74.8718 GPRESSAVG: 4788800 -40.1334 -45.1403 -45.8742 -47.4095 -19.3117 -7.93537 -45.9857 -11.8588 74.7906 TIMING: 4788800 CPU: 13864.3, 0.00291577/step Wall: 13864.3, 0.00291577/step, 0.171059 hours remaining, 213.117188 MB of memory in use. ENERGY: 4788800 738.5129 2049.8410 1926.7288 113.8455 -206141.8115 17791.1553 0.0000 0.0000 34251.2025 -149270.5256 299.1243 -183521.7281 -149179.0384 299.1423 70.9547 106.8673 556471.7544 5.0191 5.1152 PRESSURE: 4789000 -432.343 56.113 77.266 56.1132 -236.139 4.19478 77.2669 4.19647 -311.72 GPRESSURE: 4789000 -376.741 56.8699 132.951 114.167 -204.422 8.41895 61.2864 -13.184 -293.506 PRESSAVG: 4789000 -78.4117 -36.6083 9.9928 -36.6082 66.3069 44.4364 9.99279 44.4363 9.47218 GPRESSAVG: 4789000 -78.359 -37.6366 9.39093 -36.4453 66.5708 43.0223 8.58291 43.3403 8.94359 TIMING: 4789000 CPU: 13864.9, 0.00292216/step Wall: 13864.9, 0.00292216/step, 0.171271 hours remaining, 213.117188 MB of memory in use. ENERGY: 4789000 710.8320 2003.0393 1953.2982 107.7990 -205741.0616 17319.0114 0.0000 0.0000 34377.5647 -149269.5170 300.2278 -183647.0817 -149164.9628 299.0921 -326.7339 -291.5565 559081.9765 -0.8775 -0.9482 PRESSURE: 4789200 -239.562 -33.9726 81.1665 -33.9728 48.9607 -22.7966 81.167 -22.7959 280.435 GPRESSURE: 4789200 -166.438 -28.9153 -1.35223 25.07 72.9857 56.0249 82.707 -55.3705 275.551 PRESSAVG: 4789200 3.25017 -6.4824 16.0774 -6.48236 -27.9564 -35.1652 16.0774 -35.1653 21.1533 GPRESSAVG: 4789200 3.4274 -6.87895 15.3965 -7.26797 -28.4875 -32.4496 17.3573 -33.7488 21.0561 TIMING: 4789200 CPU: 13865.5, 0.00290087/step Wall: 13865.5, 0.00290087/step, 0.169862 hours remaining, 213.117188 MB of memory in use. ENERGY: 4789200 776.3762 2042.7807 1940.2941 107.7329 -206189.8873 17715.0562 0.0000 0.0000 34236.8468 -149370.8004 298.9989 -183607.6472 -149276.9113 299.3667 29.9446 60.6996 555226.8257 -1.1843 -1.3347 PRESSURE: 4789400 -70.5826 -222.196 -42.2017 -222.197 72.8963 65.0336 -42.2 65.035 57.5937 GPRESSURE: 4789400 -55.2217 -130.64 -11.4245 -240.209 152.258 35.1898 2.72545 110.157 55.173 PRESSAVG: 4789400 18.4519 -48.916 21.2074 -48.916 -36.5086 -6.20065 21.2075 -6.20075 53.1239 GPRESSAVG: 4789400 18.6179 -48.4494 21.0297 -48.7525 -36.1433 -7.22884 22.4235 -7.18122 52.7661 TIMING: 4789400 CPU: 13866.1, 0.00288671/step Wall: 13866.1, 0.00288671/step, 0.168873 hours remaining, 213.117188 MB of memory in use. ENERGY: 4789400 744.1388 2080.1521 1969.7533 136.0073 -206222.1348 17804.9864 0.0000 0.0000 34517.1226 -148969.9742 301.4466 -183487.0968 -148869.7630 299.8648 19.9691 50.7363 555512.5566 11.6891 11.7469 PRESSURE: 4789600 406.44 130.813 48.542 130.813 117.487 67.2349 48.5419 67.2344 292.011 GPRESSURE: 4789600 383.801 91.7685 77.1645 176.014 176.926 60.938 -39.5467 42.2059 347.096 PRESSAVG: 4789600 9.10066 23.1002 -22.0021 23.1003 21.6662 -1.98579 -22.0021 -1.98588 -27.8646 GPRESSAVG: 4789600 8.58728 22.1741 -21.635 26.2152 22.0083 -3.67562 -23.4525 -0.297201 -27.4863 TIMING: 4789600 CPU: 13866.7, 0.00291792/step Wall: 13866.7, 0.00291792/step, 0.170536 hours remaining, 213.117188 MB of memory in use. ENERGY: 4789600 698.7285 2111.1477 1947.8585 103.6549 -206235.3641 17906.7624 0.0000 0.0000 34433.7446 -149033.4675 300.7185 -183467.2120 -148932.8954 300.3543 271.9795 302.6075 555573.4662 0.9674 1.0364 PRESSURE: 4789800 8.05593 62.0438 -60.5475 62.0436 -198.711 -57.2999 -60.5469 -57.2995 46.8249 GPRESSURE: 4789800 98.7177 62.3323 -83.0522 30.699 -216.084 -59.4749 -70.6762 -92.4436 89.6104 PRESSAVG: 4789800 54.2609 15.5572 7.84741 15.5572 9.56177 16.1237 7.84738 16.1237 -56.818 GPRESSAVG: 4789800 54.3659 15.8471 7.06817 16.3026 9.48172 17.4773 9.16186 16.1712 -55.8002 TIMING: 4789800 CPU: 13867.2, 0.0028905/step Wall: 13867.2, 0.0028905/step, 0.168773 hours remaining, 213.117188 MB of memory in use. ENERGY: 4789800 765.8598 2108.9191 1948.5786 110.1232 -206085.6248 17748.7370 0.0000 0.0000 34329.9172 -149073.4899 299.8117 -183403.4070 -148972.8473 300.4126 -47.9435 -9.2520 558061.7285 2.3349 2.6825 PRESSURE: 4790000 143.067 142.081 -54.046 142.082 -111.513 -108.191 -54.0456 -108.191 -13.161 GPRESSURE: 4790000 156.549 216.252 12.6305 52.1974 -66.3946 -133.668 -10.7085 -106.566 5.98974 PRESSAVG: 4790000 -15.3411 4.08837 -5.1043 4.08841 11.7202 70.5109 -5.10414 70.5109 9.02029 GPRESSAVG: 4790000 -14.3222 5.07227 -2.69897 1.55233 13.0263 70.0422 -6.36705 71.3128 6.18988 TIMING: 4790000 CPU: 13867.8, 0.00290537/step Wall: 13867.8, 0.00290536/step, 0.16948 hours remaining, 213.117188 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: 4790000 719.3964 2059.6102 1978.4557 114.5775 -205972.9269 17711.8654 0.0000 0.0000 34290.2871 -149098.7346 299.4656 -183389.0217 -149003.9195 300.9213 6.1310 32.0481 558197.5951 1.7998 1.6313 PRESSURE: 4790200 -170.22 -16.5952 -133.867 -16.5958 -314.221 -152.217 -133.867 -152.217 -36.0382 GPRESSURE: 4790200 -139.758 51.9319 -138.665 -59.665 -277.973 -214.398 -157.769 -113.514 -9.77891 PRESSAVG: 4790200 24.9965 -12.93 8.73009 -12.9299 -98.5338 2.8654 8.73002 2.86538 38.4821 GPRESSAVG: 4790200 23.6878 -12.6149 6.78526 -12.4852 -97.7399 3.22372 10.9184 1.19113 39.2456 TIMING: 4790200 CPU: 13868.4, 0.00290037/step Wall: 13868.4, 0.00290037/step, 0.169027 hours remaining, 213.117188 MB of memory in use. ENERGY: 4790200 743.3665 2061.9480 1951.9510 111.8279 -205881.9817 17572.3442 0.0000 0.0000 34381.9667 -149058.5774 300.2663 -183440.5441 -148956.2231 299.9620 -173.4932 -142.5035 559480.9689 -11.6851 -11.6022 PRESSURE: 4790400 -14.5786 -157.6 -11.5289 -157.6 -41.5704 -197.55 -11.5285 -197.549 170.191 GPRESSURE: 4790400 27.8768 -131.679 21.766 -215.089 15.2036 -183.872 -67.5761 -193.591 168.971 PRESSAVG: 4790400 -51.4605 -56.0755 -41.7307 -56.0754 11.4723 52.1912 -41.7306 52.1911 62.7288 GPRESSAVG: 4790400 -51.9214 -56.9138 -39.9243 -57.3473 10.9956 51.9771 -44.1639 52.599 63.2268 TIMING: 4790400 CPU: 13869, 0.00290205/step Wall: 13869, 0.00290205/step, 0.168964 hours remaining, 213.171875 MB of memory in use. ENERGY: 4790400 730.3455 2089.8941 1968.0284 115.8270 -206049.7516 17846.5331 0.0000 0.0000 34345.1868 -148953.9366 299.9451 -183299.1234 -148857.4129 300.4971 38.0141 70.6839 557810.7092 7.5802 7.4337 PRESSURE: 4790600 155.44 -157.115 -118.505 -157.116 -52.2941 -93.8474 -118.506 -93.8486 -346.629 GPRESSURE: 4790600 183.442 -167.915 -160.093 -132.32 -43.0606 -43.5112 -39.7084 -96.6637 -287.591 PRESSAVG: 4790600 11.6694 -64.5563 14.7637 -64.5563 22.7154 -3.00096 14.7636 -3.00094 -18.8346 GPRESSAVG: 4790600 11.6306 -65.0562 13.7979 -62.241 22.1389 -1.3187 17.4355 -5.02491 -18.8502 TIMING: 4790600 CPU: 13869.6, 0.00290564/step Wall: 13869.6, 0.00290564/step, 0.169011 hours remaining, 213.171875 MB of memory in use. ENERGY: 4790600 743.0716 2129.5924 1931.7903 113.9529 -205631.9018 17585.1997 0.0000 0.0000 34149.7070 -148978.5879 298.2379 -183128.2949 -148885.1838 299.8649 -81.1608 -49.0699 559061.2998 5.1834 4.9731 PRESSURE: 4790800 31.4236 -65.0594 93.98 -65.0585 -34.9877 17.9722 93.9793 17.9724 41.1186 GPRESSURE: 4790800 80.6266 1.80714 46.8879 -56.8257 25.804 30.2458 64.2053 57.1792 24.6673 PRESSAVG: 4790800 -28.1818 -59.2472 27.2794 -59.2473 -42.3671 -17.0247 27.2795 -17.0246 77.4518 GPRESSAVG: 4790800 -27.9054 -56.7878 26.8409 -61.9522 -42.982 -18.2859 25.09 -16.1052 77.5601 TIMING: 4790800 CPU: 13870.1, 0.0028692/step Wall: 13870.1, 0.0028692/step, 0.166732 hours remaining, 213.171875 MB of memory in use. ENERGY: 4790800 713.4922 2040.9046 1925.8067 117.5386 -205644.5161 17848.4805 0.0000 0.0000 34180.8424 -148817.4511 298.5098 -182998.2936 -148727.1385 299.8167 12.5182 43.6993 559845.8392 2.3010 2.2242 PRESSURE: 4791000 -301.057 100.045 -44.9187 100.044 136.465 85.6254 -44.9186 85.6267 153.977 GPRESSURE: 4791000 -215.026 94.4605 16.3667 61.6698 131.901 107.522 -39.1292 62.4846 175.848 PRESSAVG: 4791000 -53.192 -1.00061 -14.4676 -1.00059 43.1656 -12.9301 -14.4676 -12.93 42.6183 GPRESSAVG: 4791000 -52.8533 -3.73506 -17.7231 -0.813438 43.0517 -14.3227 -12.8964 -12.6495 42.2659 TIMING: 4791000 CPU: 13870.7, 0.00288954/step Wall: 13870.7, 0.00288954/step, 0.167754 hours remaining, 213.171875 MB of memory in use. ENERGY: 4791000 767.2310 2062.8220 1935.3019 107.9875 -206071.8260 17865.7169 0.0000 0.0000 34177.9826 -149154.7840 298.4848 -183332.7666 -149065.3120 299.5215 -3.5379 30.9075 557224.3162 10.8640 10.8214 PRESSURE: 4791200 14.8022 -94.533 -249.662 -94.5331 -256.402 12.924 -249.662 12.9237 -144.502 GPRESSURE: 4791200 72.6272 -75.9307 -311.129 -24.4562 -264.923 29.1347 -183.283 -65.7882 -88.5677 PRESSAVG: 4791200 -48.0803 34.4469 4.22187 34.4471 1.39195 3.14221 4.22182 3.14223 32.9815 GPRESSAVG: 4791200 -48.5197 35.2744 6.8083 34.9991 1.1474 4.26418 2.47708 3.05505 34.3858 TIMING: 4791200 CPU: 13871.3, 0.00292775/step Wall: 13871.3, 0.00292775/step, 0.169809 hours remaining, 213.171875 MB of memory in use. ENERGY: 4791200 727.2663 2055.5072 1910.9748 105.1129 -205923.8584 17651.8557 0.0000 0.0000 34304.8998 -149168.2418 299.5932 -183473.1415 -149073.6351 299.1981 -128.7007 -93.6211 557538.2938 -4.5689 -4.3288 PRESSURE: 4791400 -43.2467 1.02059 -44.4764 1.02075 109.831 -90.8772 -44.4747 -90.8796 128.408 GPRESSURE: 4791400 8.69827 85.4399 -1.16892 -82.4528 98.3882 -60.2091 -103.679 -55.7857 167.59 PRESSAVG: 4791400 -38.3821 2.73719 -33.4886 2.73724 69.6087 -0.094412 -33.4886 -0.0944437 -45.5004 GPRESSAVG: 4791400 -37.1072 3.37049 -33.83 2.77022 68.9676 -0.607631 -30.7075 -0.87738 -46.4092 TIMING: 4791400 CPU: 13871.9, 0.00288945/step Wall: 13871.9, 0.00288945/step, 0.167428 hours remaining, 213.238281 MB of memory in use. ENERGY: 4791400 770.2528 2062.7492 1935.3911 101.7524 -206296.9480 18052.0328 0.0000 0.0000 34226.8370 -149147.9327 298.9115 -183374.7698 -149054.4308 299.4079 64.9977 91.5589 556650.3565 -4.7579 -4.8496 PRESSURE: 4791600 71.8234 -47.8646 33.8554 -47.865 -341.305 159.559 33.8548 159.558 252.927 GPRESSURE: 4791600 85.3089 -128.78 65.2496 26.042 -253.95 186.079 -28.1341 54.7396 240.74 PRESSAVG: 4791600 48.6442 -33.9022 5.70154 -33.9023 -26.4063 -30.3121 5.70153 -30.3121 -0.43614 GPRESSAVG: 4791600 46.8228 -34.4447 5.28206 -33.3006 -25.9616 -29.6752 2.50839 -29.9399 0.706332 TIMING: 4791600 CPU: 13872.5, 0.00287965/step Wall: 13872.5, 0.00287965/step, 0.1667 hours remaining, 213.238281 MB of memory in use. ENERGY: 4791600 735.4763 2067.5818 1945.4517 120.0105 -206110.9682 17818.1366 0.0000 0.0000 34166.4256 -149257.8857 298.3839 -183424.3113 -149168.8850 299.5364 -5.5182 24.0329 556768.4614 7.2673 7.1892 PRESSURE: 4791800 135.296 17.1348 96.0797 17.1356 75.728 64.3123 96.0794 64.3125 -232.152 GPRESSURE: 4791800 149.832 47.0042 105.96 5.07375 127.507 27.4861 35.8454 27.8315 -200.127 PRESSAVG: 4791800 95.8121 46.9282 20.3932 46.9282 -65.2362 1.89958 20.3932 1.89948 -23.3475 GPRESSAVG: 4791800 96.9926 47.7997 19.9485 45.6382 -65.541 1.8035 21.0659 0.350295 -23.9162 TIMING: 4791800 CPU: 13873, 0.00288862/step Wall: 13873, 0.00288862/step, 0.167058 hours remaining, 213.238281 MB of memory in use. ENERGY: 4791800 711.1133 2060.5121 1941.5603 106.9075 -206040.1094 17666.0417 0.0000 0.0000 34249.5916 -149304.3829 299.1102 -183553.9745 -149207.2037 298.5424 -7.0426 25.7372 556793.0980 2.4095 2.5118 PRESSURE: 4792000 93.0926 47.8796 80.1899 47.8785 -61.9012 -85.7487 80.1911 -85.7482 8.71758 GPRESSURE: 4792000 106.213 113.431 98.9913 -15.6651 -23.0121 -99.9665 107.046 -69.7383 54.7031 PRESSAVG: 4792000 -35.7208 3.55976 -43.4556 3.5597 58.6221 -27.9008 -43.4556 -27.901 25.5639 GPRESSAVG: 4792000 -35.5586 1.89687 -42.1825 3.04231 58.3999 -28.514 -42.6978 -26.9001 25.4834 TIMING: 4792000 CPU: 13873.6, 0.00286037/step Wall: 13873.6, 0.00286037/step, 0.165266 hours remaining, 213.238281 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: 4792000 705.2473 2092.6419 1954.9853 120.4103 -206166.8271 17884.6599 0.0000 0.0000 34151.8499 -149257.0326 298.2566 -183408.8825 -149168.7895 298.9910 13.3030 45.9678 558500.7287 16.1551 16.1082 PRESSURE: 4792200 1.46615 -124.532 125.853 -124.532 -261.577 -56.4768 125.853 -56.476 211.824 GPRESSURE: 4792200 -36.1213 -54.0155 189.456 -151.023 -205.906 10.1812 157.104 -143.811 268.942 PRESSAVG: 4792200 -51.1772 0.0190357 -0.417105 0.0190027 -36.4531 -25.5076 -0.417142 -25.5076 67.4603 GPRESSAVG: 4792200 -51.7269 1.62546 1.2421 2.82703 -35.1344 -24.5375 -2.21941 -26.6124 66.3998 TIMING: 4792200 CPU: 13874.2, 0.00290417/step Wall: 13874.2, 0.00290417/step, 0.167635 hours remaining, 213.238281 MB of memory in use. ENERGY: 4792200 716.1684 2101.4707 1950.6714 110.4605 -206079.4257 17738.1271 0.0000 0.0000 34189.8077 -149272.7199 298.5881 -183462.5276 -149173.9197 298.9919 -16.0955 8.9717 557047.7461 -6.7233 -6.8205 LDB: ============= START OF LOAD BALANCING ============== 13877.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13877.6 LDB: =============== DONE WITH MIGRATION ================ 13877.6 LDB: ============= START OF LOAD BALANCING ============== 13877.9 LDB: Largest compute 4800 load 0.029050 is 24.6% of average load 0.117905 LDB: Average compute 0.001733 is 1.5% of average load 0.117905 LDB: TIME 13877.9 LOAD: AVG 0.117905 MAX 0.177301 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.512 MB LDB: TIME 13877.9 LOAD: AVG 0.117905 MAX 0.177301 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.551 MB LDB: TIME 13877.9 LOAD: AVG 0.117905 MAX 0.177301 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13877.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13877.9 PRESSURE: 4792400 149.747 134.703 -68.6891 134.702 299.725 22.4302 -68.6894 22.4292 256.9 GPRESSURE: 4792400 169.31 78.8911 11.1412 132.083 335.516 24.3195 -28.7105 -47.8296 303.27 PRESSAVG: 4792400 8.19499 51.7837 -19.0317 51.7837 -26.137 -49.2369 -19.0317 -49.237 40.4622 GPRESSAVG: 4792400 8.4915 50.4523 -20.2486 51.3993 -26.212 -49.9481 -17.7428 -50.1171 41.0895 TIMING: 4792400 CPU: 13874.8, 0.00293381/step Wall: 13874.8, 0.00293381/step, 0.169183 hours remaining, 211.511719 MB of memory in use. ENERGY: 4792400 731.4892 2089.8426 1939.8473 114.7400 -206571.7029 18314.5544 0.0000 0.0000 34190.0307 -149191.1987 298.5900 -183381.2294 -149092.0652 299.3783 235.4576 269.3654 556893.8644 7.5068 7.7897 PRESSURE: 4792600 171.74 14.182 -21.909 14.1833 -49.9849 -22.0452 -21.9092 -22.045 -211.479 GPRESSURE: 4792600 212.028 22.1749 55.3331 75.6427 -9.0496 -6.68745 -152.507 -58.403 -185.089 PRESSAVG: 4792600 31.1427 20.1306 1.17022 20.1306 -43.7608 -49.7926 1.1703 -49.7926 43.4844 GPRESSAVG: 4792600 31.7196 20.1954 1.3117 20.2711 -43.9622 -51.2353 -0.0857889 -46.5219 43.1385 TIMING: 4792600 CPU: 13875.4, 0.00287116/step Wall: 13875.4, 0.00287116/step, 0.165411 hours remaining, 211.511719 MB of memory in use. ENERGY: 4792600 747.3558 2123.3234 1975.0272 98.1406 -206357.6093 17855.5001 0.0000 0.0000 34333.6834 -149224.5786 299.8446 -183558.2621 -149130.7884 299.4996 -29.9081 5.9629 559414.8626 10.2888 10.2986 PRESSURE: 4792800 -311.349 -50.0743 105.815 -50.0738 -33.8564 -32.7376 105.815 -32.7377 -91.61 GPRESSURE: 4792800 -237.903 -32.0572 69.0812 -72.6123 -29.5596 -157.454 117.625 31.584 -72.5012 PRESSAVG: 4792800 38.0678 -18.1613 20.6782 -18.1613 -78.1206 -24.1803 20.6783 -24.1803 7.21142 GPRESSAVG: 4792800 38.3271 -17.6251 20.2761 -18.4574 -79.1122 -21.1811 21.7381 -24.6468 7.89667 TIMING: 4792800 CPU: 13875.9, 0.002888/step Wall: 13875.9, 0.002888/step, 0.166221 hours remaining, 211.511719 MB of memory in use. ENERGY: 4792800 750.5397 2103.5461 1949.1279 94.3829 -206030.1176 17720.1690 0.0000 0.0000 34144.4188 -149267.9332 298.1917 -183412.3520 -149166.6190 299.0152 -145.6052 -113.3213 559872.2122 -10.9471 -10.9628 PRESSURE: 4793000 -222.451 -25.8874 28.9382 -25.8862 -127.032 -41.1704 28.9383 -41.1696 125.68 GPRESSURE: 4793000 -169.409 -101.5 64.1236 -54.4731 -132.733 2.83236 -2.7252 -82.2488 163.479 PRESSAVG: 4793000 -9.58521 81.3135 46.4334 81.3135 -19.6117 49.6113 46.4334 49.6112 56.6427 GPRESSAVG: 4793000 -9.90503 81.9419 45.4276 79.1098 -19.2586 49.29 47.2538 48.6808 56.0225 TIMING: 4793000 CPU: 13876.5, 0.00288079/step Wall: 13876.5, 0.00288079/step, 0.165646 hours remaining, 211.511719 MB of memory in use. ENERGY: 4793000 732.1134 2107.7423 1964.6596 118.4261 -205974.4815 17639.3268 0.0000 0.0000 34198.9214 -149213.2919 298.6677 -183412.2133 -149118.2012 299.4006 -74.6011 -46.2212 557680.3384 9.1486 8.9529 PRESSURE: 4793200 -320.207 232.112 20.7779 232.111 -106.744 -174.792 20.778 -174.793 88.8732 GPRESSURE: 4793200 -285.827 244.676 50.4007 306.784 -32.3095 -111.571 83.8883 -160.198 82.1509 PRESSAVG: 4793200 -52.6029 52.149 -35.6647 52.149 48.4484 -90.3651 -35.6647 -90.365 9.39773 GPRESSAVG: 4793200 -52.1401 53.027 -34.3327 51.6586 48.0061 -89.6046 -36.7208 -89.1959 10.0923 TIMING: 4793200 CPU: 13877.1, 0.00291346/step Wall: 13877.1, 0.00291346/step, 0.167362 hours remaining, 211.511719 MB of memory in use. ENERGY: 4793200 766.8589 2098.5523 1976.5290 105.1739 -205990.6762 17615.7079 0.0000 0.0000 34218.4270 -149209.4272 298.8380 -183427.8542 -149119.2295 298.6494 -112.6927 -78.6619 557281.6799 1.7477 1.9861 PRESSURE: 4793400 -83.4258 112.256 -3.21513 112.256 -289.116 -89.5296 -3.21514 -89.5311 14.3246 GPRESSURE: 4793400 -0.959137 112.723 -71.8847 164.398 -247.411 0.466679 34.9711 -27.0668 -9.42021 PRESSAVG: 4793400 55.6085 13.1367 53.9836 13.1367 -65.982 -17.557 53.9834 -17.5572 -7.29414 GPRESSAVG: 4793400 55.492 11.6007 52.8637 16.2047 -65.4075 -17.6642 53.6449 -18.7275 -7.97542 TIMING: 4793400 CPU: 13877.7, 0.00288051/step Wall: 13877.7, 0.00288051/step, 0.165309 hours remaining, 211.511719 MB of memory in use. ENERGY: 4793400 730.2104 2080.6889 1950.9562 111.9624 -205780.6065 17367.2615 0.0000 0.0000 34156.1174 -149383.4097 298.2939 -183539.5272 -149287.5075 298.9223 -119.4056 -85.9300 557302.7226 -5.8892 -5.9637 PRESSURE: 4793600 115.32 42.59 216.486 42.5908 93.0082 -82.5384 216.486 -82.54 -25.1593 GPRESSURE: 4793600 123.829 60.2263 87.4549 35.4507 103.578 -78.1201 173.46 -20.1703 53.9965 PRESSAVG: 4793600 39.8372 -7.13332 53.0284 -7.13342 -33.529 -0.407593 53.0284 -0.407559 -10.7331 GPRESSAVG: 4793600 39.2218 -6.6359 52.5011 -8.16622 -33.5201 -3.06983 53.0679 1.8161 -9.99424 TIMING: 4793600 CPU: 13878.2, 0.00289644/step Wall: 13878.2, 0.00289644/step, 0.166063 hours remaining, 211.511719 MB of memory in use. ENERGY: 4793600 769.3076 2089.4301 1953.4074 119.3554 -206490.0129 18134.3203 0.0000 0.0000 34284.5796 -149139.6126 299.4158 -183424.1922 -149040.2819 299.2689 61.0564 93.8013 557791.8662 -1.4749 -1.4308 PRESSURE: 4793800 -264.665 39.721 72.925 39.7204 -395.337 -52.1286 72.9251 -52.1272 -290.239 GPRESSURE: 4793800 -232.446 40.6194 142.944 46.8128 -359.527 -48.989 40.7469 -99.4158 -260.56 PRESSAVG: 4793800 -43.4648 33.8992 29.3012 33.8992 17.9655 38.6842 29.3011 38.6842 -5.64029 GPRESSAVG: 4793800 -43.7403 33.6418 30.0047 35.2225 17.6664 41.7627 29.0455 35.8363 -5.13451 TIMING: 4793800 CPU: 13878.8, 0.00289545/step Wall: 13878.8, 0.00289545/step, 0.165845 hours remaining, 211.511719 MB of memory in use. ENERGY: 4793800 745.4340 2131.8105 1965.5060 119.2014 -205685.3946 17346.7400 0.0000 0.0000 34321.2672 -149055.4356 299.7362 -183376.7028 -148957.6297 299.7516 -316.7470 -284.1777 558037.6548 -10.3799 -10.4028 PRESSURE: 4794000 40.3007 66.1764 -69.4466 66.1766 -48.6596 -78.7794 -69.4458 -78.7796 -136.21 GPRESSURE: 4794000 53.1173 3.83796 2.13381 138.579 5.867 -84.1583 -105.523 -29.2499 -100.079 PRESSAVG: 4794000 28.0968 -11.8736 3.77921 -11.8736 2.27848 19.3365 3.77926 19.3365 25.4247 GPRESSAVG: 4794000 28.597 -11.002 4.05605 -13.9728 2.18821 17.0306 5.83871 21.6294 25.4026 TIMING: 4794000 CPU: 13879.4, 0.0028805/step Wall: 13879.4, 0.0028805/step, 0.164829 hours remaining, 211.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4794000 769.0245 2089.7157 1973.8777 114.3836 -206082.2180 17760.5206 0.0000 0.0000 34354.4192 -149020.2766 300.0257 -183374.6958 -148927.0637 300.1219 -48.1895 -13.6983 558283.6099 18.6000 18.7292 PRESSURE: 4794200 -12.05 22.661 -86.3055 22.6596 -67.5151 13.1707 -86.3059 13.1712 -176.369 GPRESSURE: 4794200 2.98384 -28.7794 -152.548 78.2217 -22.3213 -1.19627 -84.2702 72.8484 -126.592 PRESSAVG: 4794200 29.8693 26.1106 -37.2986 26.1107 -72.6152 15.7505 -37.2986 15.7504 25.6336 GPRESSAVG: 4794200 30.5679 25.4309 -38.7772 27.1861 -71.8413 16.2127 -39.3955 13.4073 24.1989 TIMING: 4794200 CPU: 13880, 0.00289297/step Wall: 13880, 0.00289297/step, 0.165381 hours remaining, 211.511719 MB of memory in use. ENERGY: 4794200 741.3832 2069.4344 1995.0713 100.9156 -206036.8543 17750.4314 0.0000 0.0000 34299.7560 -149079.8625 299.5483 -183379.6185 -148984.2379 299.7000 -85.3112 -48.6431 557973.0232 -5.7041 -5.6915 PRESSURE: 4794400 -159.149 55.2565 19.9057 55.2559 -61.975 76.4456 19.9066 76.445 -26.7002 GPRESSURE: 4794400 -122.665 32.5549 130.556 80.584 -7.45519 157.991 -16.9831 -9.43158 -29.5021 PRESSAVG: 4794400 5.77878 10.6027 -30.9298 10.6027 -30.4495 2.63309 -30.93 2.63301 10.1436 GPRESSAVG: 4794400 6.7808 9.17415 -30.3178 10.933 -32.4979 1.0912 -30.7508 3.77799 11.287 TIMING: 4794400 CPU: 13880.6, 0.00291036/step Wall: 13880.6, 0.00291035/step, 0.166214 hours remaining, 211.511719 MB of memory in use. ENERGY: 4794400 691.8877 2053.8960 1942.5100 111.1230 -205424.8570 17363.4658 0.0000 0.0000 34233.0965 -149028.8779 298.9661 -183261.9745 -148926.9791 299.7176 -82.6081 -53.2075 558344.2770 -4.8424 -4.8101 PRESSURE: 4794600 -380.761 -69.9165 -33.5081 -69.916 68.2164 -87.6071 -33.5087 -87.6077 -211.953 GPRESSURE: 4794600 -327.65 -82.634 71.6317 0.628828 86.6878 -78.4894 -91.2457 -59.9468 -194.125 PRESSAVG: 4794600 18.3869 24.3991 22.7769 24.3991 15.9491 -19.6623 22.7768 -19.6624 17.5576 GPRESSAVG: 4794600 18.4206 24.8752 24.6384 23.8752 15.9305 -18.3463 22.6371 -18.6036 17.5533 TIMING: 4794600 CPU: 13881.1, 0.00290209/step Wall: 13881.1, 0.00290209/step, 0.165581 hours remaining, 211.511719 MB of memory in use. ENERGY: 4794600 756.7673 2053.0318 1956.7065 112.7721 -205763.0095 17542.8926 0.0000 0.0000 34210.4203 -149130.4190 298.7681 -183340.8393 -149035.6225 299.5165 -174.8327 -145.0292 557324.7982 17.2978 17.3015 PRESSURE: 4794800 250.722 -41.6409 57.3144 -41.6409 -39.5458 -191.247 57.3145 -191.249 151.803 GPRESSURE: 4794800 302.217 -40.1203 52.9548 -35.0874 -15.1962 -236.399 79.5586 -150.862 181.865 PRESSAVG: 4794800 -20.5822 -35.7593 -10.4561 -35.7593 -21.9673 -30.4047 -10.456 -30.4046 2.2799 GPRESSAVG: 4794800 -21.3232 -37.5062 -14.228 -35.5401 -21.2668 -31.3917 -9.00117 -31.3881 2.12414 TIMING: 4794800 CPU: 13881.7, 0.00290428/step Wall: 13881.7, 0.00290428/step, 0.165544 hours remaining, 211.511719 MB of memory in use. ENERGY: 4794800 746.5134 2046.9409 1957.7763 106.9781 -206086.8138 17947.6278 0.0000 0.0000 34077.0443 -149203.9330 297.6033 -183280.9773 -149105.1780 298.8736 120.9931 156.2954 556446.5243 -13.4232 -13.4886 PRESSURE: 4795000 -64.4094 10.2227 306.703 10.225 18.2126 -209.911 306.703 -209.912 107.028 GPRESSURE: 4795000 -74.5255 39.2521 341.945 -13.4343 62.6133 -194.388 294.223 -144.485 172.573 PRESSAVG: 4795000 -2.06803 -21.0772 -17.8661 -21.0772 -39.5679 -77.8565 -17.8661 -77.8565 49.303 GPRESSAVG: 4795000 -2.15217 -18.8933 -14.1722 -20.7896 -40.6938 -76.8025 -19.5383 -76.216 49.7744 TIMING: 4795000 CPU: 13882.3, 0.00290831/step Wall: 13882.3, 0.00290831/step, 0.165612 hours remaining, 211.511719 MB of memory in use. ENERGY: 4795000 782.2841 2081.6771 1933.2259 102.2800 -206434.8130 18002.5640 0.0000 0.0000 34140.1464 -149392.6355 298.1544 -183532.7820 -149300.4211 298.4057 20.2771 53.5536 556172.0807 2.5557 2.3095 PRESSURE: 4795200 -151.015 -78.6011 33.0966 -78.6012 -18.9813 -62.0448 33.0961 -62.0466 18.3127 GPRESSURE: 4795200 -126.368 -113.722 -31.8155 -125.533 62.2121 -25.5945 75.3273 -96.5722 7.29093 PRESSAVG: 4795200 -45.562 -8.63678 29.762 -8.63671 -0.63075 -28.271 29.7619 -28.2709 69.8419 GPRESSAVG: 4795200 -45.6949 -8.82909 29.2895 -9.81755 0.000673106 -27.3407 32.7637 -29.0707 69.6713 TIMING: 4795200 CPU: 13882.9, 0.0029076/step Wall: 13882.9, 0.0029076/step, 0.16541 hours remaining, 211.511719 MB of memory in use. ENERGY: 4795200 725.0635 2027.2897 1923.3173 111.3518 -205963.8949 17624.9296 0.0000 0.0000 34441.5128 -149110.4301 300.7863 -183551.9429 -149019.1122 299.7981 -50.5613 -18.9551 556939.6897 7.8831 7.9924 PRESSURE: 4795400 -229.003 -38.0227 305.062 -38.022 -15.0186 162.317 305.06 162.317 -45.3142 GPRESSURE: 4795400 -172.54 24.5904 249.276 -105.346 -3.83714 114.169 206.164 153.813 -17.2258 PRESSAVG: 4795400 -38.6972 -15.5856 31.0583 -15.5856 34.7562 51.86 31.0583 51.86 12.8498 GPRESSAVG: 4795400 -37.8721 -15.235 31.4258 -16.8228 34.276 50.1143 26.3517 51.3678 13.1413 TIMING: 4795400 CPU: 13883.5, 0.00289/step Wall: 13883.5, 0.00289/step, 0.164248 hours remaining, 211.511719 MB of memory in use. ENERGY: 4795400 743.9643 2086.6153 1944.0499 121.1926 -205879.6461 17511.4841 0.0000 0.0000 34373.5630 -149098.7771 300.1929 -183472.3400 -148996.0998 299.9805 -96.4451 -64.5344 558259.2199 2.9696 3.1817 PRESSURE: 4795600 84.2543 -68.1267 -40.0903 -68.1267 168.467 -187.526 -40.0899 -187.527 118.08 GPRESSURE: 4795600 119.986 -52.6237 23.6903 -54.2665 238.895 -226.091 -74.6446 -192.594 103.16 PRESSAVG: 4795600 22.3286 -15.7592 33.9055 -15.7591 -57.3675 -53.7159 33.9054 -53.7159 29.1231 GPRESSAVG: 4795600 21.3754 -17.6235 32.4275 -12.5964 -56.939 -52.8141 37.3437 -54.7795 30.1402 TIMING: 4795600 CPU: 13884, 0.00290268/step Wall: 13884, 0.00290268/step, 0.164808 hours remaining, 211.511719 MB of memory in use. ENERGY: 4795600 774.1525 2078.0945 1960.3927 111.2102 -206461.0543 18090.0262 0.0000 0.0000 34261.8237 -149185.3546 299.2170 -183447.1783 -149083.6845 299.2412 123.6004 154.0140 557229.2157 -1.9719 -1.8078 PRESSURE: 4795800 102.158 -65.6387 -13.3367 -65.6392 103.023 -138.242 -13.3364 -138.241 -236.089 GPRESSURE: 4795800 87.1096 30.1584 -41.6653 -50.5103 159.162 -135.482 -6.3518 -193.822 -184.063 PRESSAVG: 4795800 -43.6315 -100.728 -53.276 -100.728 50.3825 -64.375 -53.276 -64.3752 50.5933 GPRESSAVG: 4795800 -43.9629 -101.261 -51.2805 -99.6611 50.6037 -64.2198 -55.0208 -64.0815 50.113 TIMING: 4795800 CPU: 13884.6, 0.00291816/step Wall: 13884.6, 0.00291816/step, 0.165525 hours remaining, 211.511719 MB of memory in use. ENERGY: 4795800 754.8395 2064.8953 1965.0072 126.7166 -206232.6962 17769.1725 0.0000 0.0000 34387.0937 -149164.9715 300.3110 -183552.0652 -149065.8099 299.4629 -10.3027 20.7362 556651.7892 19.1148 18.9179 PRESSURE: 4796000 -25.8482 -111.011 24.5677 -111.013 -82.5655 -20.9274 24.5674 -20.9281 -334.622 GPRESSURE: 4796000 15.6165 -123.085 50.1417 -110.325 -77.3718 53.1284 31.4245 -19.0074 -284.626 PRESSAVG: 4796000 -58.6853 -27.2187 -60.7744 -27.2186 -4.78617 10.7162 -60.7745 10.7161 42.9603 GPRESSAVG: 4796000 -56.6326 -26.0684 -62.1611 -29.8275 -5.93097 11.3045 -60.2976 12.1143 42.3156 TIMING: 4796000 CPU: 13885.2, 0.00290892/step Wall: 13885.2, 0.00290892/step, 0.164839 hours remaining, 211.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4796000 780.6515 2085.7984 1930.2498 112.7502 -205726.4258 17446.4603 0.0000 0.0000 34350.3976 -149020.1180 299.9906 -183370.5156 -148919.4548 299.7852 -147.6787 -115.4603 556797.1385 -6.8371 -6.7493 PRESSURE: 4796200 -261.429 60.6587 -65.9789 60.6592 -125.082 -34.6459 -65.9786 -34.6454 -485.867 GPRESSURE: 4796200 -256.21 36.2108 -114.966 139.311 -123.42 -21.4838 -99.2492 -119.628 -374.512 PRESSAVG: 4796200 -7.26583 -36.4409 -1.59076 -36.441 34.1901 -42.2326 -1.59076 -42.2325 -16.7003 GPRESSAVG: 4796200 -8.91961 -35.8902 -1.04548 -36.0004 34.2465 -43.3641 -3.02893 -45.1875 -14.8654 TIMING: 4796200 CPU: 13885.8, 0.00292557/step Wall: 13885.8, 0.00292557/step, 0.16562 hours remaining, 211.511719 MB of memory in use. ENERGY: 4796200 762.2594 2109.7318 1907.1862 109.5224 -205588.9980 17341.4784 0.0000 0.0000 34293.9650 -149064.8547 299.4977 -183358.8197 -148969.0773 299.9770 -290.7928 -251.3807 556344.0905 3.4080 3.4872 LDB: ============= START OF LOAD BALANCING ============== 13889.2 LDB: ============== END OF LOAD BALANCING =============== 13889.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13889.2 LDB: ============= START OF LOAD BALANCING ============== 13889.5 LDB: Largest compute 4773 load 0.030579 is 25.9% of average load 0.117897 LDB: Average compute 0.001729 is 1.5% of average load 0.117897 LDB: TIME 13889.5 LOAD: AVG 0.117897 MAX 0.180442 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.512 MB LDB: TIME 13889.5 LOAD: AVG 0.117897 MAX 0.180442 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: TIME 13889.5 LOAD: AVG 0.117897 MAX 0.180442 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: ============== END OF LOAD BALANCING =============== 13889.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13889.5 PRESSURE: 4796400 -41.6454 95.0312 80.2128 95.0302 -49.2985 128.083 80.2122 128.083 -41.6943 GPRESSURE: 4796400 -1.69873 32.1295 67.0878 98.5315 -3.30877 204.9 109.837 169.56 -29.5679 PRESSAVG: 4796400 69.349 33.7725 -13.5564 33.7725 32.5421 3.13873 -13.5565 3.13869 -87.0911 GPRESSAVG: 4796400 70.1062 33.0798 -13.813 32.5214 33.6346 3.08968 -13.5925 4.60825 -89.0689 TIMING: 4796400 CPU: 13886.4, 0.00298304/step Wall: 13886.4, 0.00298304/step, 0.168707 hours remaining, 212.792969 MB of memory in use. ENERGY: 4796400 767.6615 2141.6560 1926.5769 108.3751 -206037.1682 17662.0225 0.0000 0.0000 34396.2922 -149034.5841 300.3914 -183430.8763 -148933.5920 300.2863 -44.2127 -11.5251 558131.2523 4.9333 4.8906 PRESSURE: 4796600 7.70495 158.27 152.559 158.27 -38.8016 45.7593 152.558 45.7582 -123.188 GPRESSURE: 4796600 64.1005 112.826 184.422 157.223 -40.2582 67.025 195.933 97.2109 -78.4202 PRESSAVG: 4796600 6.56913 5.75408 24.3457 5.75409 34.1528 3.37466 24.3457 3.37476 -9.24418 GPRESSAVG: 4796600 6.27116 7.14905 25.6061 8.58088 34.6285 3.1082 25.0775 5.08568 -9.23286 TIMING: 4796600 CPU: 13887, 0.00292768/step Wall: 13887, 0.00292768/step, 0.165414 hours remaining, 212.996094 MB of memory in use. ENERGY: 4796600 763.0584 2088.9151 1933.0310 119.7877 -206148.6317 17796.5911 0.0000 0.0000 34357.4096 -149089.8388 300.0518 -183447.2485 -148998.7857 299.6946 -51.4283 -18.1926 557458.7524 10.4926 10.5556 PRESSURE: 4796800 152.888 5.60139 -26.4026 5.60052 109.311 47.3404 -26.4019 47.3424 -101.479 GPRESSURE: 4796800 161.323 52.7069 -86.6001 -34.147 151.996 43.4 -20.6391 89.7094 -65.0403 PRESSAVG: 4796800 4.92524 -4.72812 17.1033 -4.72812 39.843 -40.2857 17.1034 -40.2858 -1.85051 GPRESSAVG: 4796800 5.27503 -6.36262 17.3613 -5.86925 38.7747 -41.1146 15.7348 -37.402 -1.02956 TIMING: 4796800 CPU: 13887.6, 0.00293156/step Wall: 13887.6, 0.00293156/step, 0.16547 hours remaining, 212.996094 MB of memory in use. ENERGY: 4796800 775.5853 2047.4658 1959.2174 124.5167 -206426.3362 17960.2651 0.0000 0.0000 34445.6992 -149113.5868 300.8229 -183559.2859 -149008.0282 299.0476 53.5735 82.7593 556529.6115 14.3059 14.3400 PRESSURE: 4797000 -75.6148 4.96295 46.0125 4.963 85.275 -40.7027 46.0124 -40.7029 67.9091 GPRESSURE: 4797000 -29.1084 -11.5076 96.845 13.9835 165.372 56.2977 47.336 -125.101 44.7017 PRESSAVG: 4797000 -48.2603 28.8172 -1.13212 28.8171 61.5652 16.1318 -1.13205 16.1318 -39.441 GPRESSAVG: 4797000 -47.9243 29.4055 0.254082 29.4414 62.0756 19.3468 -0.515385 12.293 -40.0697 TIMING: 4797000 CPU: 13888.1, 0.0028999/step Wall: 13888.1, 0.0028999/step, 0.163522 hours remaining, 212.996094 MB of memory in use. ENERGY: 4797000 779.7845 2054.0063 1936.1199 124.0860 -206244.5825 17930.5445 0.0000 0.0000 34398.6553 -149021.3858 300.4120 -183420.0412 -148928.7827 299.4456 25.8564 60.3218 557520.4452 -8.7120 -8.6395 PRESSURE: 4797200 -172.915 -129.061 105.154 -129.061 30.5768 -48.3823 105.153 -48.381 -68.9102 GPRESSURE: 4797200 -146.585 22.6614 87.1516 -187.577 73.2232 39.7709 109.318 -146.241 -43.25 PRESSAVG: 4797200 -30.7106 -53.6866 -3.93265 -53.6867 71.6256 22.631 -3.93268 22.631 -39.1212 GPRESSAVG: 4797200 -31.3944 -54.3953 -6.70834 -54.1277 70.9491 21.0944 -2.92043 23.9789 -37.5111 TIMING: 4797200 CPU: 13888.7, 0.00291056/step Wall: 13888.7, 0.00291056/step, 0.163962 hours remaining, 212.996094 MB of memory in use. ENERGY: 4797200 777.1528 2087.7206 1916.2458 112.7430 -205980.8589 17712.4933 0.0000 0.0000 34369.1415 -149005.3619 300.1543 -183374.5034 -148903.3857 299.8938 -70.4163 -38.8707 558096.1343 0.5979 0.6812 PRESSURE: 4797400 -235.889 -22.4227 -26.3321 -22.4227 -422.537 -160.552 -26.3314 -160.552 -72.2424 GPRESSURE: 4797400 -204.276 16.716 -71.4573 -43.1233 -388.963 -160.447 -92.8027 -111.04 -35.9295 PRESSAVG: 4797400 24.1869 12.8614 -31.0235 12.8614 2.37904 -25.7165 -31.0235 -25.7166 -1.20607 GPRESSAVG: 4797400 24.842 15.0549 -29.8025 14.2154 2.74582 -25.9877 -33.5827 -26.4067 -1.85965 TIMING: 4797400 CPU: 13889.3, 0.00290305/step Wall: 13889.3, 0.00290305/step, 0.163377 hours remaining, 212.996094 MB of memory in use. ENERGY: 4797400 749.1069 2196.3499 1939.5667 119.0299 -205578.3283 17316.3044 0.0000 0.0000 34407.4057 -148850.5647 300.4884 -183257.9704 -148749.2027 300.7718 -243.5563 -209.7229 558554.6788 8.4533 8.5761 PRESSURE: 4797600 -21.6175 -5.53155 -57.1432 -5.53088 94.0642 -125.003 -57.1422 -125.002 -111.44 GPRESSURE: 4797600 34.5805 -57.7465 -38.8154 32.8 114.827 0.6114 -25.8554 -91.249 -85.7332 PRESSAVG: 4797600 -43.1143 33.0471 -40.6078 33.0471 32.685 -21.0882 -40.6077 -21.0883 41.484 GPRESSAVG: 4797600 -44.2076 31.4733 -42.974 31.9881 32.5972 -21.4518 -36.8122 -23.156 43.036 TIMING: 4797600 CPU: 13889.9, 0.00288003/step Wall: 13889.9, 0.00288003/step, 0.161922 hours remaining, 212.996094 MB of memory in use. ENERGY: 4797600 754.9016 2073.0650 1918.6050 114.3297 -205861.4984 17642.3180 0.0000 0.0000 34460.2548 -148898.0242 300.9500 -183358.2790 -148800.9577 299.8522 -12.9977 21.2249 557054.5022 10.3516 10.4752 PRESSURE: 4797800 0.910893 158.03 -27.4307 158.029 -164.745 -74.2176 -27.4313 -74.2183 185.179 GPRESSURE: 4797800 70.817 172.365 -67.9872 67.9589 -135.158 -24.3154 -18.7508 -83.5058 189.691 PRESSAVG: 4797800 10.8751 89.2779 -61.1774 89.2779 24.2792 28.4219 -61.1773 28.422 -14.9679 GPRESSAVG: 4797800 11.6963 89.3862 -59.9413 89.2049 24.5137 27.0247 -60.8342 30.0695 -16.0812 TIMING: 4797800 CPU: 13890.5, 0.00292453/step Wall: 13890.5, 0.00292453/step, 0.164261 hours remaining, 212.996094 MB of memory in use. ENERGY: 4797800 734.8742 2047.5785 1937.1260 119.6126 -206086.3318 17789.6381 0.0000 0.0000 34392.6909 -149064.8113 300.3599 -183457.5023 -148963.3558 299.8018 7.1150 41.7832 558433.4265 6.7288 6.7096 PRESSURE: 4798000 -88.6622 -23.6183 -102.989 -23.6176 -125.283 200.048 -102.988 200.047 -19.2983 GPRESSURE: 4798000 -37.0717 -27.6764 -66.4132 -53.5828 -37.5069 231.38 -129.179 178.881 -47.2445 PRESSAVG: 4798000 -22.7166 -16.5306 -27.0521 -16.5307 -44.4276 50.3674 -27.0521 50.3673 88.6439 GPRESSAVG: 4798000 -22.2298 -16.0686 -25.1782 -17.2261 -43.521 52.832 -29.9251 49.6559 87.6301 TIMING: 4798000 CPU: 13891, 0.00291438/step Wall: 13891, 0.00291438/step, 0.163529 hours remaining, 212.996094 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: 4798000 760.9609 2058.0312 1929.7644 102.9508 -206160.7863 17962.8288 0.0000 0.0000 34274.1681 -149072.0822 299.3248 -183346.2503 -148979.8746 299.9306 -77.7479 -40.6077 559638.4069 7.1666 7.2931 PRESSURE: 4798200 -87.3616 -68.3291 -15.8978 -68.3279 -132.543 35.4649 -15.8991 35.4645 42.0771 GPRESSURE: 4798200 -81.1351 -5.54016 -26.9025 -41.6223 -40.8423 63.6861 49.7323 63.2166 41.332 PRESSAVG: 4798200 -9.57448 3.9076 -61.9352 3.90772 5.86595 23.2541 -61.9352 23.2541 17.9244 GPRESSAVG: 4798200 -10.9247 2.29775 -64.6698 4.90589 6.24397 22.959 -61.0566 24.1098 19.0551 TIMING: 4798200 CPU: 13891.6, 0.0029162/step Wall: 13891.6, 0.0029162/step, 0.163469 hours remaining, 212.996094 MB of memory in use. ENERGY: 4798200 745.2174 2118.8000 1919.4016 112.9557 -206421.6662 17864.8979 0.0000 0.0000 34662.6797 -148997.7139 302.7178 -183660.3936 -148898.1915 299.6791 -59.2757 -26.8818 559743.4480 4.7386 4.7914 PRESSURE: 4798400 -5.6894 -49.3187 -81.0527 -49.3199 231.37 120.442 -81.0523 120.442 -172.211 GPRESSURE: 4798400 39.4221 -38.6623 -53.3345 -62.2738 220.127 96.5324 -67.5704 155.91 -120.64 PRESSAVG: 4798400 21.0939 27.641 4.76316 27.641 19.8692 29.6631 4.76322 29.6631 -6.11388 GPRESSAVG: 4798400 21.9412 30.9834 5.63952 27.452 19.3779 28.3504 6.33405 29.5337 -6.61184 TIMING: 4798400 CPU: 13892.2, 0.00291539/step Wall: 13892.2, 0.00291539/step, 0.163262 hours remaining, 212.996094 MB of memory in use. ENERGY: 4798400 748.1311 2121.3057 1960.8746 114.3811 -206064.0081 17835.3041 0.0000 0.0000 34219.6395 -149064.3720 298.8486 -183284.0115 -148969.2781 299.4755 17.8234 46.3029 557168.5750 11.6164 11.5691 PRESSURE: 4798600 48.9264 65.6646 231.154 65.6646 280.259 -76.614 231.155 -76.6146 -213.103 GPRESSURE: 4798600 76.1835 75.5698 186.413 54.3654 283.783 -105.133 207.99 -94.8385 -141.351 PRESSAVG: 4798600 -47.7282 85.3077 32.483 85.3077 74.298 38.3339 32.483 38.3339 -25.6291 GPRESSAVG: 4798600 -46.936 83.9684 33.2534 86.2232 74.2341 40.3662 33.0041 37.0246 -26.5748 TIMING: 4798600 CPU: 13892.8, 0.00290628/step Wall: 13892.8, 0.00290628/step, 0.16259 hours remaining, 212.996094 MB of memory in use. ENERGY: 4798600 749.1325 2100.5112 1932.2074 123.4629 -206140.9034 17932.9279 0.0000 0.0000 34390.7516 -148911.9099 300.3430 -183302.6616 -148826.0343 300.1837 38.6939 72.8719 557371.1818 0.3136 0.2411 PRESSURE: 4798800 -192.473 -138.096 -165.708 -138.095 -257.196 -4.46574 -165.707 -4.46642 -195.585 GPRESSURE: 4798800 -177.735 -188.837 -143.526 -63.3463 -159.728 89.6247 -117.721 -28.4301 -223 PRESSAVG: 4798800 48.3992 -1.18676 -34.5525 -1.18671 -25.5402 27.2101 -34.5525 27.2099 -21.4288 GPRESSAVG: 4798800 47.2947 -1.72594 -34.8488 -1.25449 -26.0738 27.044 -35.7368 26.069 -20.021 TIMING: 4798800 CPU: 13893.4, 0.0028864/step Wall: 13893.4, 0.0028864/step, 0.161318 hours remaining, 212.996094 MB of memory in use. ENERGY: 4798800 757.5181 2076.0551 1961.1338 110.8049 -205299.2864 17240.2179 0.0000 0.0000 34303.0036 -148850.5530 299.5767 -183153.5566 -148753.8589 300.1260 -215.0846 -186.8211 557372.3578 0.4768 0.4000 PRESSURE: 4799000 -257.473 63.7129 45.1399 63.7127 -33.5994 -25.3347 45.1389 -25.335 -201.161 GPRESSURE: 4799000 -223.275 -0.738169 4.31966 140.678 5.52905 -30.0757 76.8053 -127.208 -175.851 PRESSAVG: 4799000 63.353 14.0056 1.13454 14.0056 -47.1705 3.24486 1.13454 3.24477 -27.9974 GPRESSAVG: 4799000 62.875 13.7341 -0.00367314 13.4151 -46.2611 1.06732 1.91842 6.22672 -27.5898 TIMING: 4799000 CPU: 13894, 0.00290666/step Wall: 13894, 0.00290666/step, 0.162289 hours remaining, 212.996094 MB of memory in use. ENERGY: 4799000 748.9645 2061.8696 1949.2320 109.5527 -205631.0269 17451.8517 0.0000 0.0000 34340.5049 -148969.0514 299.9042 -183309.5564 -148871.6002 300.4339 -164.0780 -131.1990 556775.9895 -3.9383 -3.6586 PRESSURE: 4799200 -64.7822 -27.3801 50.7683 -27.3793 -189.325 -37.9417 50.767 -37.9408 94.4542 GPRESSURE: 4799200 -62.0877 21.2368 13.5332 -85.7601 -138.558 -45.293 111.761 -53.6911 137.51 PRESSAVG: 4799200 -42.1158 -39.8705 -23.2491 -39.8705 54.2724 8.74916 -23.2491 8.74915 -28.4872 GPRESSAVG: 4799200 -41.5743 -40.3375 -22.7542 -39.3078 52.8477 11.0027 -22.5289 7.08413 -27.7051 TIMING: 4799200 CPU: 13894.5, 0.00287269/step Wall: 13894.5, 0.00287269/step, 0.160232 hours remaining, 212.996094 MB of memory in use. ENERGY: 4799200 713.8385 2128.2801 1957.5380 119.7919 -206096.7182 17659.7032 0.0000 0.0000 34656.9898 -148860.5769 302.6681 -183517.5666 -148764.4003 300.7417 -53.2176 -21.0452 557185.6962 -5.4435 -5.4772 PRESSURE: 4799400 -39.2259 -90.1118 110.612 -90.1142 185.961 -64.9346 110.613 -64.933 201.284 GPRESSURE: 4799400 7.68984 -43.0765 95.997 -39.7718 203.42 0.947667 132.929 -26.631 235.776 PRESSAVG: 4799400 -24.8619 -44.1692 4.42449 -44.1692 56.5225 28.3814 4.42453 28.3814 17.2388 GPRESSAVG: 4799400 -24.4566 -42.2692 4.26392 -45.8988 57.455 26.2613 4.13515 30.3374 15.9822 TIMING: 4799400 CPU: 13895.1, 0.00288214/step Wall: 13895.1, 0.00288214/step, 0.160599 hours remaining, 212.996094 MB of memory in use. ENERGY: 4799400 741.5967 2082.9032 1936.9665 112.7653 -205865.3489 17851.1231 0.0000 0.0000 34391.3882 -148748.6059 300.3485 -183139.9941 -148653.5359 301.1236 116.0063 148.9619 557977.4598 16.2998 16.3269 PRESSURE: 4799600 -131.894 -103.213 -96.1201 -103.213 -295.796 237.583 -96.12 237.581 -539.687 GPRESSURE: 4799600 -131.274 -34.9263 -90.9411 -183.287 -226.848 187.893 -57.3424 249.269 -495.775 PRESSAVG: 4799600 -28.8519 -0.874018 -40.716 -0.87401 -1.6174 -23.3891 -40.7159 -23.389 -1.06768 GPRESSAVG: 4799600 -28.7459 -1.00148 -40.962 2.37249 -1.60903 -24.4205 -41.5008 -23.1714 -0.273029 TIMING: 4799600 CPU: 13895.7, 0.00288997/step Wall: 13895.7, 0.00288997/step, 0.160875 hours remaining, 212.996094 MB of memory in use. ENERGY: 4799600 757.1243 2086.3686 1926.8528 108.4872 -205670.5557 17242.6836 0.0000 0.0000 34697.6811 -148851.3581 303.0235 -183549.0392 -148751.8264 301.0667 -322.4591 -284.6321 556649.3938 -10.5123 -10.2093 PRESSURE: 4799800 -52.9101 63.0592 78.5559 63.0606 177.268 -59.4896 78.5559 -59.4895 -228.201 GPRESSURE: 4799800 -0.68082 44.511 152.159 24.8529 149.701 -118.134 55.9128 -27.1514 -151.375 PRESSAVG: 4799800 -37.7011 22.3259 12.5704 22.3259 -2.728 60.0009 12.5704 60.001 8.47039 GPRESSAVG: 4799800 -38.0908 20.869 13.0013 20.0299 -1.41519 60.589 11.9985 58.0129 7.45037 TIMING: 4799800 CPU: 13896.3, 0.0028835/step Wall: 13896.3, 0.0028835/step, 0.160355 hours remaining, 212.996094 MB of memory in use. ENERGY: 4799800 745.3723 2066.1677 1921.5085 112.9511 -205696.7462 17511.5053 0.0000 0.0000 34346.4888 -148992.7524 299.9564 -183339.2413 -148895.1354 300.1166 -34.6143 -0.7851 556416.7153 -10.6529 -10.6852 WRITING COORDINATES TO DCD FILE MD.2.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 68.3563 37.1996 -69.6022 37.2 -281.124 167.234 -69.6027 167.235 -100.31 GPRESSURE: 4800000 98.2741 27.6542 -66.646 73.8821 -247.964 145.782 -64.388 104.621 -63.873 PRESSAVG: 4800000 -37.8871 18.0116 -46.5627 18.0117 -29.5024 -2.89761 -46.5627 -2.89758 49.4803 GPRESSAVG: 4800000 -39.1484 16.898 -46.1763 19.7096 -30.097 -2.46904 -46.5686 -0.906315 51.8954 TIMING: 4800000 CPU: 13896.9, 0.00299902/step Wall: 13896.9, 0.00299902/step, 0.166612 hours remaining, 213.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4800000 735.7055 2100.0116 1971.2977 112.8965 -205799.1059 17458.1752 0.0000 0.0000 34309.7742 -149111.2452 299.6358 -183421.0194 -149009.8723 300.5168 -104.3591 -71.1877 557411.9346 -5.9698 -5.7833 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 PRESSURE: 4800200 181.527 -187.269 16.3343 -187.269 -5.60827 -158.581 16.3352 -158.582 170.223 GPRESSURE: 4800200 205.761 -239.941 78.6992 -129.713 47.1449 -124.283 28.5172 -69.2257 192.39 PRESSAVG: 4800200 43.211 -11.5064 -24.6216 -11.5065 -27.3845 57.5306 -24.6217 57.5307 21.58 GPRESSAVG: 4800200 44.2455 -10.2913 -23.7227 -12.0458 -28.0693 57.9448 -24.4124 56.7036 21.058 TIMING: 4800200 CPU: 13897.4, 0.00289923/step Wall: 13897.4, 0.00289923/step, 0.160907 hours remaining, 213.050781 MB of memory in use. ENERGY: 4800200 741.9589 2072.0976 1925.6997 109.0331 -206171.6504 17919.4364 0.0000 0.0000 34324.8439 -149078.5807 299.7674 -183403.4246 -148980.0803 299.9418 115.3808 148.4318 556877.9028 12.4688 12.4114 LDB: ============= START OF LOAD BALANCING ============== 13900.8 LDB: ============== END OF LOAD BALANCING =============== 13900.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13900.8 LDB: ============= START OF LOAD BALANCING ============== 13901.1 LDB: Largest compute 4800 load 0.028207 is 23.9% of average load 0.117917 LDB: Average compute 0.001738 is 1.5% of average load 0.117917 LDB: TIME 13901.1 LOAD: AVG 0.117917 MAX 0.179948 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.359 MB LDB: TIME 13901.1 LOAD: AVG 0.117917 MAX 0.179948 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.359 MB LDB: TIME 13901.1 LOAD: AVG 0.117917 MAX 0.179948 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.359 MB LDB: ============== END OF LOAD BALANCING =============== 13901.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13901.1 PRESSURE: 4800400 -320.78 -48.4634 44.5733 -48.4633 -266.003 -1.52079 44.5738 -1.52142 -243.373 GPRESSURE: 4800400 -255.901 -67.9963 30.8239 -75.7954 -244.786 -14.9564 2.54878 61.6055 -228.087 PRESSAVG: 4800400 -21.3579 -38.0178 16.7717 -38.0178 -7.20792 -14.0779 16.7716 -14.0778 -20.5996 GPRESSAVG: 4800400 -21.0585 -39.1151 15.4124 -37.8952 -6.91806 -14.0237 17.2809 -13.2941 -21.3879 TIMING: 4800400 CPU: 13898, 0.00295308/step Wall: 13898, 0.00295308/step, 0.163732 hours remaining, 211.269531 MB of memory in use. ENERGY: 4800400 818.2187 2064.9885 1933.9389 110.9243 -206146.5287 17581.1919 0.0000 0.0000 34455.5758 -149181.6907 300.9091 -183637.2665 -149080.0323 300.3366 -276.7191 -242.9248 558025.3331 -16.3885 -16.4548 PRESSURE: 4800600 -183.229 -2.77264 -118.755 -2.77261 -126.96 21.9182 -118.755 21.918 -125.251 GPRESSURE: 4800600 -82.0668 -3.5002 -119.769 5.81834 -116.559 32.5047 -84.1366 29.9918 -128.938 PRESSAVG: 4800600 21.1522 34.7136 -60.3534 34.7135 -36.3693 30.1845 -60.3534 30.1845 29.2293 GPRESSAVG: 4800600 20.5978 35.9875 -60.6127 35.0714 -36.2911 30.3983 -60.0727 28.8671 30.0751 TIMING: 4800600 CPU: 13898.6, 0.00289107/step Wall: 13898.6, 0.00289107/step, 0.160133 hours remaining, 211.472656 MB of memory in use. ENERGY: 4800600 736.2331 2110.6277 1927.5072 99.2996 -205787.8983 17389.9225 0.0000 0.0000 34454.8801 -149069.4282 300.9030 -183524.3082 -148975.4315 299.1084 -145.1466 -109.1879 558529.7498 4.6707 4.7939 PRESSURE: 4800800 280.288 85.8656 64.5107 85.865 11.5543 -198.62 64.5112 -198.62 -195.906 GPRESSURE: 4800800 301.868 142.955 -9.81398 5.43284 33.1224 -203.753 59.8536 -166.619 -148.072 PRESSAVG: 4800800 57.0525 -49.6357 -19.1975 -49.6357 -1.76281 20.0188 -19.1974 20.0188 -53.2509 GPRESSAVG: 4800800 57.1925 -51.2711 -18.6303 -48.1231 -2.8654 18.5112 -18.4795 22.2052 -52.5727 TIMING: 4800800 CPU: 13899.2, 0.00289385/step Wall: 13899.2, 0.00289385/step, 0.160126 hours remaining, 211.472656 MB of memory in use. ENERGY: 4800800 784.7594 2092.2083 1962.1510 106.1907 -206312.0310 17858.8613 0.0000 0.0000 34448.4829 -149059.3775 300.8472 -183507.8604 -148961.2891 299.4132 31.9787 62.3060 555716.7750 0.6796 0.5848 PRESSURE: 4801000 -166.031 -22.2708 -142.858 -22.2717 -76.3092 -70.4749 -142.857 -70.4746 3.36033 GPRESSURE: 4801000 -190.894 -110.235 -169.439 67.487 -4.4371 -103.247 -157.47 -72.2538 52.26 PRESSAVG: 4801000 107.344 -24.3165 -38.2653 -24.3165 -77.2109 4.03501 -38.2653 4.0351 22.0283 GPRESSAVG: 4801000 107.028 -25.5131 -37.7111 -24.8502 -75.6228 6.07746 -38.3955 3.88963 20.1744 TIMING: 4801000 CPU: 13899.8, 0.00286748/step Wall: 13899.8, 0.00286748/step, 0.158508 hours remaining, 211.472656 MB of memory in use. ENERGY: 4801000 782.6622 2104.5533 1960.0997 107.0845 -206189.7059 17788.4105 0.0000 0.0000 34358.8716 -149088.0241 300.0646 -183446.8957 -148999.1489 300.1659 -79.6599 -47.6905 557654.9873 17.3870 17.1933 PRESSURE: 4801200 183.025 -101.003 42.4354 -101.003 -210.668 200.056 42.4339 200.058 187.476 GPRESSURE: 4801200 239.946 -91.4555 9.10069 -74.6358 -187.741 112.147 59.0102 213.194 216.887 PRESSAVG: 4801200 4.14479 4.91878 -38.1748 4.91877 73.1205 -5.3421 -38.1747 -5.34205 -12.9791 GPRESSAVG: 4801200 4.49289 8.26783 -38.8527 4.13459 72.4368 -5.22357 -39.0174 -7.56341 -12.713 TIMING: 4801200 CPU: 13900.3, 0.00287137/step Wall: 13900.3, 0.00287137/step, 0.158563 hours remaining, 211.472656 MB of memory in use. ENERGY: 4801200 766.4266 2089.9298 1952.6451 123.0494 -206082.5628 17896.7851 0.0000 0.0000 34224.5766 -149029.1501 298.8917 -183253.7267 -148925.8327 300.5218 53.2780 89.6975 557934.5592 21.4287 21.4055 PRESSURE: 4801400 -87.8254 18.4179 -135.56 18.418 74.6972 18.3765 -135.56 18.3759 -388.417 GPRESSURE: 4801400 -32.4198 91.2774 -112.838 47.9074 66.8249 -31.7337 -140.838 82.3311 -343.611 PRESSAVG: 4801400 -31.2106 20.3893 -53.5196 20.3893 -6.62051 -39.689 -53.5196 -39.689 37.5424 GPRESSAVG: 4801400 -31.9195 18.9558 -52.5925 21.2292 -7.05673 -43.2479 -53.1425 -37.4325 39.0887 TIMING: 4801400 CPU: 13900.9, 0.00289069/step Wall: 13900.9, 0.00289069/step, 0.15947 hours remaining, 211.472656 MB of memory in use. ENERGY: 4801400 769.2625 2088.1781 1991.2318 121.6896 -206261.5024 17866.6434 0.0000 0.0000 34189.7021 -149234.7949 298.5872 -183424.4970 -149137.5046 299.9236 -133.8485 -103.0685 559119.4294 -0.0962 0.0375 PRESSURE: 4801600 -179.694 69.7002 122.371 69.7006 -70.2623 -177.019 122.371 -177.017 233.215 GPRESSURE: 4801600 -115.548 49.3424 92.4038 27.6162 -67.8951 -166.521 97.4947 -201.701 259.878 PRESSAVG: 4801600 -18.2643 -26.002 -41.9367 -26.0021 1.02277 27.6464 -41.9366 27.6467 7.27335 GPRESSAVG: 4801600 -17.9314 -24.4308 -43.8324 -29.3706 1.72933 31.9499 -40.6246 25.7745 5.71485 TIMING: 4801600 CPU: 13901.5, 0.00289219/step Wall: 13901.5, 0.00289219/step, 0.159392 hours remaining, 211.472656 MB of memory in use. ENERGY: 4801600 741.0684 2159.6494 1940.2404 115.1335 -206094.3755 17647.4942 0.0000 0.0000 34365.5528 -149125.2368 300.1229 -183490.7895 -149028.6398 299.8487 -5.5806 25.4783 557562.3319 -3.3227 -3.4957 PRESSURE: 4801800 130.175 32.1296 -128.868 32.1287 443.177 -9.0329 -128.868 -9.03199 294.976 GPRESSURE: 4801800 182.114 40.2839 -170.966 8.87418 452.533 15.3898 -74.3972 12.7785 327.741 PRESSAVG: 4801800 52.7965 39.08 -46.9367 39.08 -40.796 -37.8524 -46.9367 -37.8523 -37.2411 GPRESSAVG: 4801800 52.6772 37.946 -45.6503 40.3592 -41.9294 -40.7057 -48.5881 -36.4746 -36.5684 TIMING: 4801800 CPU: 13902.1, 0.00289357/step Wall: 13902.1, 0.00289357/step, 0.159307 hours remaining, 211.472656 MB of memory in use. ENERGY: 4801800 718.5366 2081.3841 1935.8872 100.8512 -206594.6613 18346.0699 0.0000 0.0000 34279.9297 -149132.0027 299.3752 -183411.9324 -149032.0775 299.9048 289.4427 320.7961 557012.7185 -8.4135 -8.6069 PRESSURE: 4802000 -54.9204 -227.485 -7.34113 -227.485 209.079 -36.4352 -7.34104 -36.4334 69.5828 GPRESSURE: 4802000 -41.1101 -190.98 -51.6449 -169.563 266.676 -79.5773 -9.29968 -5.66018 96.9305 PRESSAVG: 4802000 -31.939 2.72341 -11.2776 2.72336 -8.30255 -29.1013 -11.2776 -29.1012 10.5169 GPRESSAVG: 4802000 -32.6567 3.24572 -13.0103 3.63838 -8.27271 -29.949 -9.006 -27.8618 10.4933 TIMING: 4802000 CPU: 13902.7, 0.00291411/step Wall: 13902.7, 0.00291411/step, 0.160276 hours remaining, 211.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4802000 780.7737 2093.5798 1949.9169 113.1125 -206179.4122 18023.7967 0.0000 0.0000 34333.8883 -148884.3443 299.8464 -183218.2326 -148782.6440 299.5858 74.5806 107.4987 557470.2742 -9.9082 -10.1454 PRESSURE: 4802200 207.166 -109.564 -73.9504 -109.565 -65.007 5.09357 -73.9493 5.09409 90.3141 GPRESSURE: 4802200 182.744 -30.1825 -69.2196 -179.211 12.683 4.68794 14.1498 75.3862 151.27 PRESSAVG: 4802200 -3.77179 -32.4083 -33.5557 -32.4083 -50.6308 68.4385 -33.5557 68.4385 104.391 GPRESSAVG: 4802200 -4.03661 -33.1587 -30.6307 -32.567 -50.5724 69.8813 -35.6117 67.8142 104.433 TIMING: 4802200 CPU: 13903.2, 0.00290781/step Wall: 13903.2, 0.00290781/step, 0.159768 hours remaining, 211.472656 MB of memory in use. ENERGY: 4802200 763.7503 2219.6911 1936.0295 114.7567 -205954.8078 17758.0300 0.0000 0.0000 34282.2889 -148880.2612 299.3958 -183162.5502 -148773.1205 300.2193 77.4911 115.5656 556127.6900 16.6627 16.6081 PRESSURE: 4802400 145.629 -5.09451 -53.418 -5.09323 115.022 -67.129 -53.4182 -67.1283 297.443 GPRESSURE: 4802400 168.25 32.096 -110.934 -44.7949 87.7674 -83.5507 66.0762 47.4759 395.161 PRESSAVG: 4802400 18.5807 -48.5643 -33.7071 -48.5641 -16.06 9.01006 -33.7072 9.01014 32.6252 GPRESSAVG: 4802400 19.1039 -48.6117 -36.057 -47.4815 -15.2981 10.8681 -33.3525 7.14631 31.574 TIMING: 4802400 CPU: 13903.8, 0.00291316/step Wall: 13903.8, 0.00291316/step, 0.1599 hours remaining, 211.472656 MB of memory in use. ENERGY: 4802400 730.7074 2183.8774 1974.2120 111.2968 -205805.2157 17792.3186 0.0000 0.0000 34291.7027 -148721.1008 299.4780 -183012.8035 -148621.3144 300.9419 186.0314 217.0594 555507.4125 11.7153 11.7933 PRESSURE: 4802600 115.258 -90.5436 -74.5868 -90.543 99.0212 -117.171 -74.5868 -117.171 151.953 GPRESSURE: 4802600 138.12 -157.711 -68.2963 -140.998 139.712 -111.824 -23.6884 -79.9964 187.461 PRESSAVG: 4802600 -12.73 -56.9747 -33.9992 -56.9748 -28.2682 -5.63159 -33.9992 -5.63169 57.4975 GPRESSAVG: 4802600 -12.445 -57.4854 -33.0608 -57.8658 -29.1251 -7.58208 -34.8315 -3.83477 57.5693 TIMING: 4802600 CPU: 13904.4, 0.00290492/step Wall: 13904.4, 0.00290492/step, 0.159286 hours remaining, 211.472656 MB of memory in use. ENERGY: 4802600 735.3544 2124.9288 1951.0806 122.8186 -205979.4185 17901.6498 0.0000 0.0000 34397.7001 -148745.8862 300.4037 -183143.5863 -148643.9881 301.2050 122.0772 155.0975 556457.3656 5.4998 5.3330 PRESSURE: 4802800 93.2813 38.0756 13.1855 38.076 -23.8579 91.8777 13.185 91.8781 -242.652 GPRESSURE: 4802800 83.2788 56.9538 -20.7611 35.9589 -11.7579 86.3318 -3.49459 57.597 -157.327 PRESSAVG: 4802800 15.6327 2.34919 -32.0947 2.34932 -36.2882 7.82145 -32.0946 7.82141 21.1489 GPRESSAVG: 4802800 13.798 4.75636 -32.1509 0.710589 -35.9459 9.7597 -31.0507 5.5149 22.9667 TIMING: 4802800 CPU: 13905, 0.00288879/step Wall: 13905, 0.00288879/step, 0.158241 hours remaining, 211.472656 MB of memory in use. ENERGY: 4802800 737.9346 2120.3757 1936.2344 113.4266 -205675.3051 17579.1841 0.0000 0.0000 34271.6117 -148916.5381 299.3025 -183188.1498 -148823.9501 300.2649 -57.7428 -28.6021 558241.4053 0.1645 0.2729 PRESSURE: 4803000 29.9797 6.10764 17.6225 6.10869 144.249 71.3567 17.6232 71.3579 90.2901 GPRESSURE: 4803000 79.7685 -15.4454 67.8037 80.5088 183.834 84.594 -12.666 65.1031 88.1498 PRESSAVG: 4803000 -63.212 10.4346 35.8247 10.4346 20.9995 7.53596 35.8247 7.5359 21.1677 GPRESSAVG: 4803000 -61.3077 7.64048 34.2587 12.8192 20.8214 6.80599 34.8028 7.32613 19.3073 TIMING: 4803000 CPU: 13905.6, 0.00290623/step Wall: 13905.6, 0.00290623/step, 0.159035 hours remaining, 211.472656 MB of memory in use. ENERGY: 4803000 718.3917 2135.9312 1941.7437 117.9424 -205516.6560 17625.4185 0.0000 0.0000 34126.5358 -148850.6927 298.0355 -182977.2285 -148755.4628 299.5856 88.1731 117.2506 558076.3934 -7.0150 -7.0596 PRESSURE: 4803200 44.1146 69.1003 123.677 69.1023 -63.7187 49.1071 123.679 49.106 138.326 GPRESSURE: 4803200 59.5994 -4.93469 150.602 62.3503 -31.5526 137.59 59.9793 13.1986 184.862 PRESSAVG: 4803200 -51.0497 -52.3969 -31.4103 -52.3969 -16.3593 68.135 -31.4103 68.1348 66.042 GPRESSAVG: 4803200 -51.6595 -52.5152 -31.5561 -52.9405 -17.1893 69.6295 -30.3087 65.8954 67.3564 TIMING: 4803200 CPU: 13906.1, 0.00291021/step Wall: 13906.1, 0.00291021/step, 0.159091 hours remaining, 211.472656 MB of memory in use. ENERGY: 4803200 726.2282 2117.0400 1940.9317 113.9205 -206034.1699 17722.4233 0.0000 0.0000 34469.7940 -148943.8321 301.0333 -183413.6261 -148843.6500 299.9737 39.5739 70.9697 556869.7613 -0.4557 -0.4974 PRESSURE: 4803400 42.6998 -46.9345 -163.335 -46.9354 -140.88 145.079 -163.335 145.08 -6.64212 GPRESSURE: 4803400 118.116 -21.3775 -235.301 -108.26 -65.6267 236.956 -142.031 127.789 -62.4058 PRESSAVG: 4803400 -57.7825 -54.5039 -6.91938 -54.5039 1.58499 70.1643 -6.91945 70.1643 95.725 GPRESSAVG: 4803400 -57.709 -52.8701 -6.87781 -55.4071 2.71076 68.6219 -7.35616 74.656 94.47 TIMING: 4803400 CPU: 13906.7, 0.00290765/step Wall: 13906.7, 0.00290765/step, 0.15879 hours remaining, 211.472656 MB of memory in use. ENERGY: 4803400 732.6843 2103.4180 1923.2479 121.2609 -205950.9524 17759.2292 0.0000 0.0000 34497.2904 -148813.8217 301.2734 -183311.1121 -148713.8931 300.7867 -34.9408 -3.3053 558225.2731 13.1758 13.1573 PRESSURE: 4803600 -250.179 -69.5697 110.646 -69.5686 -153.465 -75.4032 110.646 -75.4035 -331.222 GPRESSURE: 4803600 -232.866 -87.0589 57.8419 -67.765 -112.836 -83.8763 138.082 -61.9478 -289.939 PRESSAVG: 4803600 19.9168 33.6723 -43.7608 33.6723 -51.669 48.8018 -43.7608 48.8018 -7.40483 GPRESSAVG: 4803600 19.4788 34.3688 -43.8767 34.1943 -52.7535 48.9329 -43.7678 48.5443 -6.18121 TIMING: 4803600 CPU: 13907.3, 0.00287905/step Wall: 13907.3, 0.00287905/step, 0.157068 hours remaining, 211.472656 MB of memory in use. ENERGY: 4803600 766.8523 2115.6993 1986.3645 118.3547 -205778.5437 17553.3117 0.0000 0.0000 34272.5578 -148965.4034 299.3108 -183237.9612 -148870.6918 300.7515 -244.9555 -211.8806 559968.8707 -13.0524 -13.1520 PRESSURE: 4803800 -238.573 -38.6616 14.1771 -38.6608 -96.5683 184.847 14.1755 184.848 -188.388 GPRESSURE: 4803800 -191.578 -74.3009 29.7635 -113.806 -40.9317 161.849 11.143 196.379 -184.673 PRESSAVG: 4803800 -28.4948 -24.6522 29.9092 -24.6522 -29.4684 61.603 29.9092 61.603 114.189 GPRESSAVG: 4803800 -27.878 -25.7039 29.5485 -24.4201 -29.1679 60.1158 30.1448 60.4843 113.915 TIMING: 4803800 CPU: 13907.9, 0.00290176/step Wall: 13907.9, 0.00290176/step, 0.158146 hours remaining, 211.472656 MB of memory in use. ENERGY: 4803800 805.6218 2125.8060 1993.7015 103.2038 -206041.3800 17547.0798 0.0000 0.0000 34394.0089 -149071.9583 300.3714 -183465.9671 -148971.2184 300.4933 -174.5100 -139.0609 558936.1268 18.7419 18.9563 PRESSURE: 4804000 -63.5483 137.166 8.35321 137.166 -170.517 -17.6194 8.35265 -17.6206 -63.9126 GPRESSURE: 4804000 18.8697 180.458 83.0291 78.0014 -142.582 -65.3527 12.1471 -20.1631 -80.2447 PRESSAVG: 4804000 39.6294 2.82157 47.6002 2.82152 -27.9162 -2.0709 47.6002 -2.07082 -59.0956 GPRESSAVG: 4804000 39.2385 3.95252 50.8824 1.17139 -27.339 -1.65099 47.9542 -3.56268 -59.3982 TIMING: 4804000 CPU: 13908.5, 0.00290867/step Wall: 13908.5, 0.00290867/step, 0.158361 hours remaining, 211.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4804000 742.6976 2127.5460 1959.4574 127.4227 -205845.1600 17557.5905 0.0000 0.0000 34275.1352 -149055.3105 299.3333 -183330.4457 -148962.5816 300.0666 -99.3258 -67.9855 557598.1339 -15.7941 -15.8329 PRESSURE: 4804200 -3.52574 -46.182 54.8485 -46.1822 1.51589 -73.9871 54.8488 -73.9884 212.483 GPRESSURE: 4804200 -54.3166 -107.027 -8.55592 -12.6948 97.8859 -73.0427 -6.74212 -73.9528 263.018 PRESSAVG: 4804200 35.2161 -7.48099 -5.21552 -7.48104 -18.5424 -17.5738 -5.21558 -17.5739 11.3532 GPRESSAVG: 4804200 36.0519 -9.57831 -8.25303 -5.02928 -18.7712 -16.0055 -7.94623 -16.9339 11.3749 TIMING: 4804200 CPU: 13909, 0.00290686/step Wall: 13909, 0.00290686/step, 0.158101 hours remaining, 211.472656 MB of memory in use. ENERGY: 4804200 741.2253 2142.3647 1943.8125 107.4263 -205878.6158 17829.7391 0.0000 0.0000 34153.3857 -148960.6624 298.2700 -183114.0480 -148863.3561 300.0080 70.1576 102.1959 557936.1827 9.3423 9.5519 LDB: ============= START OF LOAD BALANCING ============== 13912.4 LDB: ============== END OF LOAD BALANCING =============== 13912.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13912.4 LDB: ============= START OF LOAD BALANCING ============== 13912.7 LDB: Largest compute 4773 load 0.028393 is 24.1% of average load 0.118008 LDB: Average compute 0.001738 is 1.5% of average load 0.118008 LDB: TIME 13912.7 LOAD: AVG 0.118008 MAX 0.179997 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.531 MB LDB: TIME 13912.7 LOAD: AVG 0.118008 MAX 0.179997 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.531 MB LDB: TIME 13912.7 LOAD: AVG 0.118008 MAX 0.179997 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13912.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13912.7 PRESSURE: 4804400 68.7757 -163.49 -186.725 -163.489 -147.692 6.02856 -186.725 6.02844 -13.8407 GPRESSURE: 4804400 42.2299 -150.295 -177.55 -171.276 -87.2532 -50.4792 -30.7695 -28.9738 45.9459 PRESSAVG: 4804400 35.8622 -39.5496 -6.64092 -39.5494 -84.5939 4.47172 -6.64091 4.47179 61.4851 GPRESSAVG: 4804400 36.3292 -40.5233 -4.63923 -39.4729 -84.8616 1.99873 -5.48749 5.46134 61.074 TIMING: 4804400 CPU: 13909.6, 0.0029314/step Wall: 13909.6, 0.0029314/step, 0.159273 hours remaining, 211.300781 MB of memory in use. ENERGY: 4804400 756.1061 2087.1993 1982.3379 115.8808 -205835.9308 17706.4516 0.0000 0.0000 34241.6155 -148946.3395 299.0405 -183187.9550 -148843.0075 300.1085 -30.9189 0.3075 558194.9504 4.2511 4.1805 PRESSURE: 4804600 3.14621 66.6139 108.643 66.6132 -81.117 198.092 108.643 198.092 -222.273 GPRESSURE: 4804600 60.6633 172.859 92.9107 127.205 -64.9192 197.088 97.0302 207.237 -194.204 PRESSAVG: 4804600 64.2074 -34.4139 44.2072 -34.4139 -2.57636 55.3314 44.2073 55.3315 -68.8819 GPRESSAVG: 4804600 62.7419 -31.4088 43.3995 -34.0583 -1.39097 55.3134 44.6396 53.9889 -68.3839 TIMING: 4804600 CPU: 13910.2, 0.00289636/step Wall: 13910.2, 0.00289636/step, 0.157208 hours remaining, 211.300781 MB of memory in use. ENERGY: 4804600 749.1949 2045.8864 1913.0549 113.9568 -205667.4088 17489.0781 0.0000 0.0000 34282.1351 -149074.1027 299.3944 -183356.2377 -148977.3842 299.9375 -100.0812 -66.1535 557502.0939 -2.4169 -2.3443 PRESSURE: 4804800 15.131 182.167 70.5084 182.166 -19.3227 -222.06 70.5084 -222.06 84.2517 GPRESSURE: 4804800 81.5774 94.6841 71.3843 219.357 -43.1707 -223.867 20.3171 -176.112 147.641 PRESSAVG: 4804800 31.5671 -19.2455 71.683 -19.2455 6.77964 -41.6052 71.6831 -41.605 -22.5054 GPRESSAVG: 4804800 31.3402 -20.9232 71.1725 -21.8337 6.75118 -40.0412 71.9835 -39.9416 -21.8828 TIMING: 4804800 CPU: 13910.8, 0.00289544/step Wall: 13910.8, 0.00289544/step, 0.156997 hours remaining, 211.300781 MB of memory in use. ENERGY: 4804800 736.4792 2092.8512 1950.6751 120.1297 -206119.1746 17820.2451 0.0000 0.0000 34296.4871 -149102.3072 299.5198 -183398.7943 -149001.7703 299.0288 26.6867 62.0160 557655.4052 5.2805 5.4029 PRESSURE: 4805000 -144.444 -23.1193 81.8494 -23.1201 -87.5275 8.70094 81.8504 8.70028 -282.854 GPRESSURE: 4805000 -74.9025 5.58425 109.473 -35.3786 -55.1095 -15.2124 -11.1442 87.2162 -279.328 PRESSAVG: 4805000 -18.8923 16.055 -8.97428 16.0551 42.1818 -27.1918 -8.97418 -27.1917 -15.4572 GPRESSAVG: 4805000 -17.7305 16.9718 -9.70126 18.317 42.0426 -27.8051 -8.93324 -26.6414 -16.6006 TIMING: 4805000 CPU: 13911.4, 0.00291144/step Wall: 13911.4, 0.00291144/step, 0.157703 hours remaining, 211.300781 MB of memory in use. ENERGY: 4805000 794.4201 2086.8469 1949.3778 126.7431 -206101.1112 17652.9942 0.0000 0.0000 34360.9858 -149129.7433 300.0830 -183490.7291 -149034.0759 299.8385 -171.6084 -136.4465 557362.7614 2.6108 2.5705 PRESSURE: 4805200 94.4991 -155.947 87.6905 -155.946 -29.3094 -89.0191 87.6903 -89.0172 -208.292 GPRESSURE: 4805200 152.185 -59.9842 118.666 -218.018 -39.6205 -91.831 73.1863 -111.718 -150.255 PRESSAVG: 4805200 43.7107 -25.8753 60.035 -25.8754 -8.96608 -16.8175 60.0351 -16.8176 -31.801 GPRESSAVG: 4805200 43.545 -23.292 59.6541 -27.1265 -9.15702 -17.612 58.4917 -17.1978 -31.8307 TIMING: 4805200 CPU: 13912, 0.002912/step Wall: 13912, 0.002912/step, 0.157572 hours remaining, 211.300781 MB of memory in use. ENERGY: 4805200 744.8527 2124.4152 1940.3740 117.9603 -206301.0144 17774.2506 0.0000 0.0000 34380.2539 -149218.9078 300.2513 -183599.1618 -149126.7107 299.3789 -47.7007 -12.5632 557105.6322 0.9812 0.8524 PRESSURE: 4805400 -88.7943 -109.45 -5.54543 -109.448 -186.853 84.8103 -5.54545 84.8106 -6.89539 GPRESSURE: 4805400 -77.5063 -85.7436 -52.5753 -66.0582 -199.342 33.6963 83.7489 112.114 92.4701 PRESSAVG: 4805400 -56.4545 -19.9749 38.3576 -19.9749 8.83827 -11.9631 38.3575 -11.9631 33.445 GPRESSAVG: 4805400 -57.1028 -20.3206 40.4279 -20.0029 9.49148 -11.3138 39.4281 -14.2039 33.0083 TIMING: 4805400 CPU: 13912.5, 0.00292805/step Wall: 13912.5, 0.00292805/step, 0.158278 hours remaining, 211.300781 MB of memory in use. ENERGY: 4805400 772.6634 2168.3090 1934.5161 110.0578 -206111.9733 17683.7133 0.0000 0.0000 34345.3244 -149097.3893 299.9463 -183442.7137 -149008.5642 299.9110 -94.1810 -61.4594 557212.9184 -4.7237 -4.8677 PRESSURE: 4805600 -155.955 18.2983 123.933 18.2994 155.221 56.3014 123.934 56.3009 -217.09 GPRESSURE: 4805600 -59.193 66.5782 111.194 -23.6961 144.457 20.1374 81.1166 80.2013 -203.85 PRESSAVG: 4805600 14.7672 58.4882 5.63137 58.4882 -28.7181 47.7834 5.63142 47.7834 32.6855 GPRESSAVG: 4805600 15.0943 57.0356 5.99184 60.0198 -29.6335 46.3388 4.09068 50.9726 32.9677 TIMING: 4805600 CPU: 13913.1, 0.00293048/step Wall: 13913.1, 0.00293048/step, 0.158246 hours remaining, 211.300781 MB of memory in use. ENERGY: 4805600 780.5142 2077.1041 1952.3500 110.6609 -206085.0763 17711.9604 0.0000 0.0000 34332.9522 -149119.5346 299.8382 -183452.4868 -149021.4998 300.0583 -72.6079 -39.5287 557578.3801 6.2449 6.1428 PRESSURE: 4805800 -194.866 -66.2287 -57.5443 -66.2297 -212.381 -86.3682 -57.5438 -86.3675 79.2664 GPRESSURE: 4805800 -156.716 -33.232 85.2527 -100.655 -207.438 -97.4637 -48.3539 -81.4968 130.448 PRESSAVG: 4805800 -17.5112 12.8244 -16.5712 12.8244 -36.9365 16.4512 -16.5712 16.4512 15.4358 GPRESSAVG: 4805800 -18.2777 11.8885 -17.6005 10.8567 -36.1881 17.9616 -15.6233 16.0959 15.856 TIMING: 4805800 CPU: 13913.7, 0.0029413/step Wall: 13913.7, 0.0029413/step, 0.158667 hours remaining, 211.300781 MB of memory in use. ENERGY: 4805800 783.1482 2108.7981 1928.9902 114.3065 -206242.3785 17755.2020 0.0000 0.0000 34392.3179 -149159.6156 300.3567 -183551.9335 -149064.5813 299.8233 -109.3270 -77.9020 558407.1463 -13.0040 -12.8699 PRESSURE: 4806000 136.942 61.3122 12.9796 61.3112 -36.3694 26.2601 12.9805 26.2585 25.8832 GPRESSURE: 4806000 106.18 -13.7497 -44.8259 82.7706 9.885 -46.9595 25.5934 69.0046 96.3467 PRESSAVG: 4806000 -4.33771 -2.16543 7.23804 -2.16543 -36.8661 2.03722 7.23811 2.03726 14.678 GPRESSAVG: 4806000 -3.73599 -1.25755 6.06725 -1.81233 -36.762 0.800051 7.62177 2.04901 14.0715 TIMING: 4806000 CPU: 13914.3, 0.00293627/step Wall: 13914.3, 0.00293627/step, 0.158232 hours remaining, 211.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4806000 748.8648 2087.0863 1948.7909 125.0531 -206243.9282 17851.5549 0.0000 0.0000 34292.7918 -149189.7863 299.4875 -183482.5781 -149093.8084 299.3989 42.1520 70.8039 557283.9425 -8.8420 -8.8088 PRESSURE: 4806200 100.423 -101.013 207.971 -101.013 40.2997 164.019 207.97 164.02 -186.057 GPRESSURE: 4806200 99.0499 -102.611 179.539 -163.143 47.5096 192.77 265.73 107.434 -89.0844 PRESSAVG: 4806200 47.1785 7.08215 21.9717 7.08216 -22.2057 19.4895 21.9717 19.4895 -1.07968 GPRESSAVG: 4806200 46.2825 6.24361 22.4001 8.76672 -22.2233 19.737 20.3762 16.5086 -0.271056 TIMING: 4806200 CPU: 13914.9, 0.00293283/step Wall: 13914.9, 0.00293283/step, 0.157884 hours remaining, 211.300781 MB of memory in use. ENERGY: 4806200 725.3024 2063.3183 1983.2061 121.0351 -206183.9225 17803.3298 0.0000 0.0000 34276.8278 -149210.9032 299.3481 -183487.7310 -149118.5308 299.4870 -15.1112 19.1584 557678.6199 7.9644 7.9294 PRESSURE: 4806400 -124.422 -16.2866 -71.8952 -16.2862 116.129 -33.8405 -71.8938 -33.8402 96.7122 GPRESSURE: 4806400 -94.8474 -6.7101 -55.9287 -38.7773 170.664 -79.0603 -131.516 -47.7327 120.999 PRESSAVG: 4806400 -2.12204 5.75039 25.3501 5.75035 17.4676 22.0324 25.3502 22.0324 -31.0644 GPRESSAVG: 4806400 -2.50234 7.01379 25.9462 5.08439 18.4498 22.6782 25.9474 24.0708 -31.462 TIMING: 4806400 CPU: 13915.5, 0.00294766/step Wall: 13915.5, 0.00294766/step, 0.158519 hours remaining, 211.300781 MB of memory in use. ENERGY: 4806400 732.0585 2138.9934 1932.3074 112.2880 -206350.2965 17944.1793 0.0000 0.0000 34201.4142 -149289.0557 298.6895 -183490.4699 -149186.4238 298.9760 29.4732 65.6054 558363.3299 -5.2396 -5.1715 PRESSURE: 4806600 -55.5612 52.8858 125.582 52.8854 19.7092 -19.316 125.582 -19.3177 -1.44917 GPRESSURE: 4806600 3.02737 50.4365 87.7747 -1.3023 35.5112 -78.0397 175.288 99.366 26.4671 PRESSAVG: 4806600 27.7979 41.9497 -29.5643 41.9497 16.4106 1.22629 -29.5644 1.22632 -9.04766 GPRESSAVG: 4806600 29.8436 41.7886 -29.5987 40.825 14.2994 1.94016 -28.2936 0.498915 -8.54529 TIMING: 4806600 CPU: 13916.1, 0.0029156/step Wall: 13916.1, 0.0029156/step, 0.156632 hours remaining, 211.300781 MB of memory in use. ENERGY: 4806600 779.0249 2068.9282 1938.8384 106.8704 -206295.5505 17798.2776 0.0000 0.0000 34238.7691 -149364.8419 299.0157 -183603.6110 -149266.2270 299.0081 -12.4337 21.6686 558434.1238 11.7203 11.8659 PRESSURE: 4806800 18.52 124.259 44.5676 124.26 150.059 26.5574 44.5678 26.5589 -53.2199 GPRESSURE: 4806800 -11.9851 35.48 77.958 209.225 203.061 -24.4236 47.9184 8.78263 19.4807 PRESSAVG: 4806800 16.4257 24.3499 37.1539 24.3499 -15.3684 -19.4959 37.1539 -19.4959 -26.9649 GPRESSAVG: 4806800 12.838 23.9516 36.75 24.9485 -12.8808 -20.1106 35.4694 -18.3339 -26.0318 TIMING: 4806800 CPU: 13916.6, 0.00290376/step Wall: 13916.6, 0.00290376/step, 0.155835 hours remaining, 211.300781 MB of memory in use. ENERGY: 4806800 696.7683 2130.8700 1929.4076 111.0288 -206397.2918 17844.5176 0.0000 0.0000 34286.0669 -149398.6325 299.4288 -183684.6994 -149299.1538 298.6219 38.4531 70.1855 558640.5336 -8.6359 -8.6915 PRESSURE: 4807000 -41.2864 -51.1476 12.8347 -51.1467 180.64 -27.5317 12.8345 -27.5305 -38.3932 GPRESSURE: 4807000 -53.7919 -39.0704 22.1187 -50.5042 154.792 106.82 65.4677 -84.9573 96.8422 PRESSAVG: 4807000 23.4839 -14.6361 32.7981 -14.6361 -7.07673 -4.53222 32.7982 -4.53227 3.29378 GPRESSAVG: 4807000 25.6634 -13.6927 31.2268 -12.597 -8.16723 -5.26635 34.9388 -5.3434 2.10669 TIMING: 4807000 CPU: 13917.2, 0.00289196/step Wall: 13917.2, 0.00289196/step, 0.155041 hours remaining, 211.300781 MB of memory in use. ENERGY: 4807000 715.6480 2120.7812 1942.9177 123.8259 -206472.3378 17817.9799 0.0000 0.0000 34224.3543 -149526.8307 298.8898 -183751.1850 -149421.0843 299.0128 33.6534 65.9475 557219.8917 6.5670 6.5343 PRESSURE: 4807200 116.758 -4.17963 39.1812 -4.1802 29.1748 9.44516 39.1809 9.44786 -16.2189 GPRESSURE: 4807200 146.936 15.7929 18.1185 -57.0624 83.1493 15.2448 102.651 72.0528 14.5862 PRESSAVG: 4807200 -76.1015 6.67518 -13.3768 6.67516 24.4629 28.3515 -13.3769 28.3514 41.509 GPRESSAVG: 4807200 -75.7374 6.84995 -12.3427 4.32899 23.7153 30.4655 -15.0768 29.47 42.0474 TIMING: 4807200 CPU: 13917.8, 0.0029301/step Wall: 13917.8, 0.0029301/step, 0.156923 hours remaining, 211.300781 MB of memory in use. ENERGY: 4807200 760.6240 2064.8432 1946.3989 108.9330 -206732.5583 18149.8647 0.0000 0.0000 34093.6704 -149608.2241 297.7485 -183701.8945 -149511.2711 298.3470 43.2378 81.5570 556961.3943 -3.3765 -3.3249 PRESSURE: 4807400 67.5617 107.373 6.52395 107.374 4.18747 -96.618 6.5239 -96.6168 8.34516 GPRESSURE: 4807400 69.0046 88.3798 60.6068 109.629 90.0024 -115.83 -12.8837 -65.6367 19.307 PRESSAVG: 4807400 29.981 11.4901 -11.7797 11.4901 64.9275 57.1446 -11.7798 57.1446 -64.2453 GPRESSAVG: 4807400 29.0422 10.4768 -12.0563 11.4164 65.2149 55.7712 -11.5267 56.4886 -63.8557 TIMING: 4807400 CPU: 13918.4, 0.00289749/step Wall: 13918.4, 0.00289749/step, 0.155016 hours remaining, 211.300781 MB of memory in use. ENERGY: 4807400 749.7590 2122.9159 1934.3393 105.9217 -206729.8834 17984.9428 0.0000 0.0000 34265.3319 -149566.6728 299.2477 -183832.0047 -149466.0590 298.3723 26.6981 59.4380 557142.4604 10.2211 10.1338 PRESSURE: 4807600 -51.7421 35.3491 125.884 35.3488 -80.3707 25.3151 125.883 25.3154 57.58 GPRESSURE: 4807600 28.2721 25.4924 57.7687 -8.16189 -59.3325 -27.6403 168.982 67.0927 56.3301 PRESSAVG: 4807600 -36.584 21.777 -7.59403 21.7771 -30.3754 -0.823641 -7.5941 -0.823586 92.1496 GPRESSAVG: 4807600 -35.8839 23.1143 -9.27124 21.4719 -29.5388 -1.59124 -8.91867 0.0130823 90.7274 TIMING: 4807600 CPU: 13919, 0.00291316/step Wall: 13919, 0.00291316/step, 0.155692 hours remaining, 211.300781 MB of memory in use. ENERGY: 4807600 728.3443 2160.5458 1947.3464 115.8370 -206540.5475 17672.1110 0.0000 0.0000 34307.1404 -149609.2227 299.6128 -183916.3631 -149511.3584 299.0710 -24.8443 8.4232 556244.3685 8.3967 8.4349 PRESSURE: 4807800 124.903 235.101 -73.596 235.101 -306.823 8.07977 -73.596 8.08063 30.4976 GPRESSURE: 4807800 175.12 217.839 -36.3516 182.142 -244.184 -112.036 -44.8682 41.4601 23.8605 PRESSAVG: 4807800 -1.19361 74.7409 -0.998472 74.7409 -22.8687 -37.5197 -0.998514 -37.5197 59.8065 GPRESSAVG: 4807800 -0.431732 74.0348 1.15956 74.8262 -24.1061 -34.3055 -1.80682 -41.3205 60.7085 TIMING: 4807800 CPU: 13919.6, 0.00294167/step Wall: 13919.6, 0.00294167/step, 0.157052 hours remaining, 211.300781 MB of memory in use. ENERGY: 4807800 774.5673 2056.2062 1941.8666 113.2080 -206651.4778 17951.3198 0.0000 0.0000 34283.5420 -149530.7679 299.4067 -183814.3100 -149425.5369 298.8968 -50.4744 -15.0677 556861.7600 11.9147 12.0569 PRESSURE: 4808000 20.7193 53.1081 30.0418 53.107 -139.465 -71.304 30.042 -71.3032 -68.116 GPRESSURE: 4808000 139.982 13.627 -1.65029 51.962 -131.221 11.9928 -2.37023 -148.115 -92.708 PRESSAVG: 4808000 14.6698 -6.8728 -41.7283 -6.87282 -4.23646 -29.068 -41.7283 -29.068 19.1705 GPRESSAVG: 4808000 15.3681 -5.7357 -41.5873 -7.77437 -3.58003 -29.373 -40.9539 -28.5115 17.9093 TIMING: 4808000 CPU: 13920.1, 0.00290901/step Wall: 13920.1, 0.00290901/step, 0.155147 hours remaining, 211.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4808000 750.8763 2118.6891 1933.9697 110.0764 -206544.8971 17840.3341 0.0000 0.0000 34114.7680 -149676.1835 297.9328 -183790.9515 -149578.7808 297.6863 -62.2872 -27.9822 557957.1894 9.8680 9.8991 PRESSURE: 4808200 194.985 4.292 40.9496 4.29311 342.658 18.7611 40.9489 18.7604 66.8149 GPRESSURE: 4808200 283.016 -1.79679 -28.2792 15.4759 319.803 21.1138 -0.0724836 93.0304 94.8974 PRESSAVG: 4808200 -30.4432 -5.40053 -3.64504 -5.40045 84.0691 45.5978 -3.64503 45.5977 -31.8528 GPRESSAVG: 4808200 -31.7851 -5.61061 -5.30607 -6.91854 83.3729 42.673 -3.52282 49.5393 -30.0333 TIMING: 4808200 CPU: 13920.7, 0.00291245/step Wall: 13920.7, 0.00291245/step, 0.155169 hours remaining, 211.300781 MB of memory in use. ENERGY: 4808200 724.6876 2088.7943 1963.8748 122.0910 -206954.7483 18190.5580 0.0000 0.0000 34198.6896 -149666.0529 298.6657 -183864.7426 -149568.3875 298.5500 201.4860 232.5724 556516.1159 7.2577 7.1848 LDB: ============= START OF LOAD BALANCING ============== 13924.1 LDB: ============== END OF LOAD BALANCING =============== 13924.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13924.1 LDB: ============= START OF LOAD BALANCING ============== 13924.4 LDB: Largest compute 4773 load 0.026684 is 22.6% of average load 0.117965 LDB: Average compute 0.001733 is 1.5% of average load 0.117965 LDB: TIME 13924.4 LOAD: AVG 0.117965 MAX 0.179614 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.012 MB LDB: TIME 13924.4 LOAD: AVG 0.117965 MAX 0.179614 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.211 MB LDB: TIME 13924.4 LOAD: AVG 0.117965 MAX 0.179614 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.211 MB LDB: ============== END OF LOAD BALANCING =============== 13924.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13924.4 PRESSURE: 4808400 -342.69 210.645 26.2546 210.645 -47.768 -17.3447 26.2538 -17.3457 -106.278 GPRESSURE: 4808400 -275.61 190.056 78.9503 230.016 -37.9982 -11.8122 26.2644 -63.3337 -84.6175 PRESSAVG: 4808400 -33.9689 36.8872 3.39745 36.8872 20.8041 -49.6693 3.39745 -49.6693 39.5767 GPRESSAVG: 4808400 -33.8931 36.6436 5.6718 38.4687 20.7396 -49.0607 1.40901 -50.0182 39.4008 TIMING: 4808400 CPU: 13921.3, 0.00296827/step Wall: 13921.3, 0.00296827/step, 0.157978 hours remaining, 211.566406 MB of memory in use. ENERGY: 4808400 758.2538 2096.5823 1959.1168 118.8573 -206245.2480 17643.0316 0.0000 0.0000 34030.1755 -149639.2306 297.1940 -183669.4061 -149541.9261 298.4739 -165.5787 -132.7420 558516.9284 8.8039 8.7491 PRESSURE: 4808600 -287.428 71.0844 -46.2909 71.0829 -62.1687 -56.9484 -46.2912 -56.9479 -111.03 GPRESSURE: 4808600 -281.517 21.6267 35.925 51.5094 -3.53672 -98.5927 -117.994 -28.023 -89.7607 PRESSAVG: 4808600 -24.0173 31.6855 -56.9254 31.6855 40.2566 -24.5326 -56.9254 -24.5326 23.1214 GPRESSAVG: 4808600 -24.6591 30.8184 -58.396 33.0752 41.2576 -23.9162 -56.1801 -27.4988 22.8347 TIMING: 4808600 CPU: 13921.9, 0.00292213/step Wall: 13921.9, 0.00292213/step, 0.15536 hours remaining, 211.574219 MB of memory in use. ENERGY: 4808600 762.3693 2056.9476 1997.8135 108.6655 -206500.0902 17840.7297 0.0000 0.0000 34120.7824 -149612.7822 297.9853 -183733.5646 -149519.3484 298.2163 -153.5424 -124.9383 556729.5444 13.1202 13.1444 PRESSURE: 4808800 -182.155 -143.826 2.22907 -143.826 -152.984 19.6096 2.22937 19.6087 209.902 GPRESSURE: 4808800 -154.973 -159.1 9.792 -49.9773 -138.092 -131.155 47.079 111.77 265.944 PRESSAVG: 4808800 2.21529 26.8257 -19.6834 26.8256 -16.2333 -25.6713 -19.6833 -25.6712 10.7969 GPRESSAVG: 4808800 2.74471 24.6979 -20.0207 28.6775 -16.3435 -25.3755 -18.1876 -25.1925 10.0757 TIMING: 4808800 CPU: 13922.5, 0.00289323/step Wall: 13922.5, 0.00289323/step, 0.153663 hours remaining, 211.574219 MB of memory in use. ENERGY: 4808800 725.4785 2086.0014 1940.4960 129.0173 -206611.7799 17955.6377 0.0000 0.0000 34132.9469 -149642.2021 298.0915 -183775.1490 -149540.8230 298.0622 -41.7458 -9.0402 558284.8356 -1.0737 -1.1744 PRESSURE: 4809000 -266.17 147.968 34.1623 147.968 -214.586 71.2128 34.1638 71.2133 -383.029 GPRESSURE: 4809000 -261.409 142.46 17.8406 154.223 -160.44 20.4388 -66.8576 127.825 -351.809 PRESSAVG: 4809000 -4.25652 34.8556 2.04893 34.8556 15.0278 17.5181 2.04889 17.5182 22.596 GPRESSAVG: 4809000 -3.8513 38.0633 0.879501 32.6613 15.4616 16.8085 2.08667 17.6432 22.4162 TIMING: 4809000 CPU: 13923.1, 0.00289438/step Wall: 13923.1, 0.00289438/step, 0.153563 hours remaining, 211.574219 MB of memory in use. ENERGY: 4809000 754.8722 2126.9837 1938.0115 113.8015 -206011.6791 17480.7372 0.0000 0.0000 34162.8367 -149434.4363 298.3525 -183597.2730 -149337.5843 299.0041 -287.9280 -257.8860 559410.9921 11.1224 11.3422 PRESSURE: 4809200 -361.42 103.641 -127.622 103.641 42.5639 9.80283 -127.622 9.80258 -244.926 GPRESSURE: 4809200 -315.516 106.023 -139.518 71.3511 69.9284 10.7595 21.3115 63.8767 -218.149 PRESSAVG: 4809200 -72.0786 -28.3619 32.7438 -28.362 47.6569 51.8433 32.7438 51.8434 -7.13378 GPRESSAVG: 4809200 -72.1885 -30.5559 32.4173 -26.7777 47.0223 51.586 34.3043 51.3212 -6.66157 TIMING: 4809200 CPU: 13923.6, 0.00290775/step Wall: 13923.6, 0.00290775/step, 0.154111 hours remaining, 211.574219 MB of memory in use. ENERGY: 4809200 784.0458 2076.9867 1930.0211 120.2085 -206057.9021 17672.3892 0.0000 0.0000 34204.4522 -149269.7985 298.7160 -183474.2507 -149178.1558 299.5136 -187.9272 -154.5788 558179.0770 -10.5185 -10.6093 PRESSURE: 4809400 -189.356 -122.096 -16.1371 -122.096 -160.175 -157.772 -16.1369 -157.772 147.944 GPRESSURE: 4809400 -88.4246 -124.983 16.4226 -89.7075 -85.3256 -115.23 -56.6515 -149.949 71.7001 PRESSAVG: 4809400 -1.32848 41.1503 43.8102 41.1503 21.0605 20.0464 43.8103 20.0464 -1.4305 GPRESSAVG: 4809400 -0.400926 44.0642 45.5319 38.7408 20.9527 22.1197 42.3398 21.4017 -2.1564 TIMING: 4809400 CPU: 13924.2, 0.00289607/step Wall: 13924.2, 0.00289607/step, 0.153331 hours remaining, 211.574219 MB of memory in use. ENERGY: 4809400 749.2490 2104.3720 1949.9628 105.0977 -206152.0886 17633.8512 0.0000 0.0000 34219.4931 -149390.0629 298.8473 -183609.5560 -149289.5660 299.2042 -67.1958 -34.0167 555617.2010 6.1005 6.1318 PRESSURE: 4809600 -365.002 -30.6973 -42.054 -30.6978 -160.034 53.5044 -42.0535 53.5057 14.7185 GPRESSURE: 4809600 -346.419 -6.96138 -64.3187 -42.2025 -114.675 55.6928 9.96052 70.1575 48.4596 PRESSAVG: 4809600 -82.8845 15.4183 33.2402 15.4185 115.43 8.37273 33.2402 8.37276 -23.1773 GPRESSAVG: 4809600 -84.2387 13.1232 34.2501 15.8053 115.602 7.84738 31.9888 6.57016 -21.9297 TIMING: 4809600 CPU: 13924.8, 0.00290359/step Wall: 13924.8, 0.00290359/step, 0.153567 hours remaining, 211.574219 MB of memory in use. ENERGY: 4809600 752.1908 2118.1136 1922.6466 123.3757 -206103.5877 17570.4907 0.0000 0.0000 34255.2470 -149361.5233 299.1596 -183616.7703 -149263.1463 298.5833 -170.1058 -137.5446 557261.1121 3.1227 3.1446 PRESSURE: 4809800 -160.981 -23.7359 -27.2452 -23.7351 232.774 -42.6636 -27.2451 -42.6633 -28.9944 GPRESSURE: 4809800 -172.29 -48.3613 56.1278 -32.2713 297.786 -96.8722 -114.888 -24.1839 23.9207 PRESSAVG: 4809800 -62.1839 -15.5384 -9.20253 -15.5383 77.8718 45.5221 -9.20263 45.5221 -5.81909 GPRESSAVG: 4809800 -61.8834 -16.3109 -10.9466 -13.6905 78.318 42.8388 -8.50681 47.4477 -7.14104 TIMING: 4809800 CPU: 13925.4, 0.00289714/step Wall: 13925.4, 0.00289714/step, 0.153066 hours remaining, 211.574219 MB of memory in use. ENERGY: 4809800 765.0955 2116.9115 1925.3566 118.8489 -206492.7025 17931.0620 0.0000 0.0000 34154.4772 -149480.9509 298.2795 -183635.4281 -149378.9375 298.2782 14.2663 49.8057 556512.7083 3.2896 3.0979 PRESSURE: 4810000 -304.957 139.762 117.173 139.763 -177.02 5.95818 117.173 5.95787 -62.1786 GPRESSURE: 4810000 -312.894 87.8692 58.1068 106.49 -131.664 29.2313 19.8176 28.5797 4.28467 PRESSAVG: 4810000 -27.7854 -18.089 45.2253 -18.0891 38.5803 23.4908 45.2255 23.4909 4.99949 GPRESSAVG: 4810000 -27.4029 -16.7176 45.4628 -19.6005 37.7651 23.6006 45.1681 22.386 4.86944 TIMING: 4810000 CPU: 13926, 0.00291745/step Wall: 13926, 0.00291745/step, 0.153976 hours remaining, 211.574219 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: 4810000 796.3228 2123.5578 1926.5810 109.4418 -205980.4925 17431.8385 0.0000 0.0000 34084.9773 -149507.7731 297.6726 -183592.7504 -149415.4714 298.5684 -181.3850 -146.7577 555634.4742 5.2648 5.0772 PRESSURE: 4810200 54.3387 -144.042 -135.872 -144.042 -274.173 -75.4151 -135.872 -75.4152 280.886 GPRESSURE: 4810200 72.356 -169.098 -27.513 -139.196 -166.153 -56.4039 -206.97 -40.3726 259.938 PRESSAVG: 4810200 0.264236 -5.14117 -26.847 -5.14114 -20.5718 14.3919 -26.8471 14.3919 3.07602 GPRESSAVG: 4810200 0.126227 -4.15362 -26.3926 -4.85741 -19.1596 16.9835 -28.6519 12.8362 2.19445 TIMING: 4810200 CPU: 13926.5, 0.00292206/step Wall: 13926.5, 0.00292206/step, 0.154058 hours remaining, 211.574219 MB of memory in use. ENERGY: 4810200 758.7161 2075.1038 1929.7764 112.6407 -206862.5223 18079.9704 0.0000 0.0000 34255.0372 -149651.2776 299.1578 -183906.3148 -149555.2970 298.1101 20.3505 55.3804 555812.9343 -5.7438 -5.6130 PRESSURE: 4810400 -207.599 141.431 -16.7068 141.43 -109.617 96.1702 -16.7065 96.1713 50.7598 GPRESSURE: 4810400 -129.583 147.489 -64.8886 120.936 -174.239 39.4 45.0507 181.391 123.709 PRESSAVG: 4810400 -32.3092 -8.97065 18.6083 -8.97057 -38.0223 32.2731 18.6082 32.2731 64.2272 GPRESSAVG: 4810400 -32.3688 -10.0107 18.3469 -9.69866 -40.0052 31.325 22.3488 34.3099 65.5701 TIMING: 4810400 CPU: 13927.1, 0.00294076/step Wall: 13927.1, 0.00294076/step, 0.15488 hours remaining, 211.574219 MB of memory in use. ENERGY: 4810400 745.8086 2136.8528 1943.3748 115.7530 -206231.7065 17644.8650 0.0000 0.0000 33987.0826 -149657.9696 296.8176 -183645.0522 -149564.4675 298.3118 -88.8187 -60.0378 556615.3667 -2.0348 -2.2679 PRESSURE: 4810600 -27.3588 168.958 -93.1261 168.958 127.136 -134.671 -93.1273 -134.67 28.729 GPRESSURE: 4810600 20.2285 138.517 -163.657 136.383 175.61 -111.649 -37.5282 -133.27 15.8363 PRESSAVG: 4810600 -5.26957 -25.716 -56.67 -25.7161 6.4726 10.0039 -56.67 10.0039 14.8062 GPRESSAVG: 4810600 -4.8764 -24.2545 -55.9892 -24.3736 6.0152 12.4775 -58.5959 6.54679 15.165 TIMING: 4810600 CPU: 13927.7, 0.00292318/step Wall: 13927.7, 0.00292318/step, 0.153792 hours remaining, 211.574219 MB of memory in use. ENERGY: 4810600 741.2657 2030.7235 1968.8936 102.3565 -206816.1455 17999.5039 0.0000 0.0000 34139.9904 -149833.4118 298.1530 -183973.4022 -149732.9440 297.7684 42.8353 70.5581 557572.8890 5.3364 5.4346 PRESSURE: 4810800 -99.1186 84.6757 -16.7188 84.6772 80.1124 -25.0284 -16.7185 -25.0289 -230.277 GPRESSURE: 4810800 -93.225 33.002 62.3743 121.153 161.286 -90.7804 -91.2389 -27.886 -237.55 PRESSAVG: 4810800 -21.744 10.6409 -16.4357 10.6409 40.6214 4.26954 -16.4357 4.26946 4.56006 GPRESSAVG: 4810800 -21.2261 7.79384 -15.6754 9.90697 41.6848 4.23187 -16.8001 5.95646 2.97548 TIMING: 4810800 CPU: 13928.3, 0.00291917/step Wall: 13928.3, 0.00291917/step, 0.153419 hours remaining, 211.574219 MB of memory in use. ENERGY: 4810800 791.8581 2082.1068 1948.5752 113.2748 -206807.9079 17816.0332 0.0000 0.0000 34339.6863 -149716.3735 299.8970 -184056.0597 -149617.2748 298.0753 -83.0944 -56.4964 556743.6696 7.8125 7.8114 PRESSURE: 4811000 -112.997 47.4859 9.07399 47.4861 410.381 -40.6612 9.07394 -40.6614 -15.1346 GPRESSURE: 4811000 -69.8983 61.7683 -58.9766 92.5324 406.337 2.77855 4.06152 -52.6474 29.788 PRESSAVG: 4811000 -5.18906 43.5959 -42.8431 43.5958 -0.951082 26.4013 -42.8431 26.4014 -8.64104 GPRESSAVG: 4811000 -6.20029 45.4667 -42.45 44.4435 -0.75645 24.6076 -43.3678 26.0506 -7.68485 TIMING: 4811000 CPU: 13928.9, 0.00292244/step Wall: 13928.9, 0.00292244/step, 0.153428 hours remaining, 211.574219 MB of memory in use. ENERGY: 4811000 731.0189 2070.8462 1958.2037 117.6436 -206839.6192 18107.6298 0.0000 0.0000 34047.6993 -149806.5777 297.3470 -183854.2770 -149707.1874 297.8294 94.0832 122.0755 556726.3802 -4.9271 -4.8805 PRESSURE: 4811200 -271.556 -242.211 48.1065 -242.212 160.604 -14.0246 48.1071 -14.0266 159.541 GPRESSURE: 4811200 -215.222 -322.121 39.3646 -171.321 215.879 -51.1881 152.009 17.269 146.288 PRESSAVG: 4811200 -19.7656 16.9058 -7.75393 16.9057 37.7027 6.63641 -7.75394 6.63644 -20.2124 GPRESSAVG: 4811200 -19.4455 15.0212 -10.2965 17.2425 36.9784 6.4491 -4.56612 8.32745 -19.9864 TIMING: 4811200 CPU: 13929.5, 0.00289626/step Wall: 13929.5, 0.00289627/step, 0.151893 hours remaining, 211.574219 MB of memory in use. ENERGY: 4811200 722.4350 2030.7605 1954.7327 123.4255 -206425.6722 17725.2731 0.0000 0.0000 34067.3686 -149801.6768 297.5188 -183869.0453 -149708.0541 298.2319 16.1962 48.9819 556222.4722 -0.7584 -0.8179 PRESSURE: 4811400 23.5756 -109.8 -45.2163 -109.8 -199.107 12.2433 -45.217 12.2431 -95.7433 GPRESSURE: 4811400 39.948 -137.73 -94.8402 -110.014 -108.763 70.9263 -6.68965 -75.0282 -104.883 PRESSAVG: 4811400 -9.798 -34.5128 18.5629 -34.5128 47.5924 52.1641 18.5629 52.1641 -67.3693 GPRESSAVG: 4811400 -10.2721 -31.7555 20.1906 -35.7056 48.5717 51.76 16.4498 52.9881 -68.2828 TIMING: 4811400 CPU: 13930, 0.00289776/step Wall: 13930, 0.00289776/step, 0.15181 hours remaining, 211.574219 MB of memory in use. ENERGY: 4811400 737.4542 2056.4776 1939.6556 108.9499 -206312.5318 17685.2632 0.0000 0.0000 34017.8894 -149766.8419 297.0867 -183784.7313 -149666.7561 297.9427 -90.4250 -57.8992 558420.1249 -9.8583 -9.9944 PRESSURE: 4811600 -18.9853 -23.589 108.442 -23.5883 -157.711 -28.3134 108.441 -28.3133 -153.835 GPRESSURE: 4811600 0.269354 -24.1525 37.3503 -4.81609 -149.799 14.8757 100.856 25.6315 -82.2628 PRESSAVG: 4811600 -7.26914 -35.6793 -18.4848 -35.6792 36.7272 36.4763 -18.4848 36.4762 -35.9786 GPRESSAVG: 4811600 -7.35546 -37.503 -20.2034 -33.1186 36.1659 35.2466 -17.7306 36.7269 -35.6233 TIMING: 4811600 CPU: 13930.6, 0.00289362/step Wall: 13930.6, 0.00289362/step, 0.151433 hours remaining, 211.574219 MB of memory in use. ENERGY: 4811600 726.3205 2040.8846 1955.5593 116.7652 -206425.7400 17773.9724 0.0000 0.0000 34139.9248 -149672.3130 298.1525 -183812.2379 -149573.8656 297.7757 -110.1769 -77.2640 557514.6913 -2.1735 -2.2709 PRESSURE: 4811800 -262.718 -136.543 86.0287 -136.543 -94.9651 -49.9799 86.0276 -49.9791 -115.107 GPRESSURE: 4811800 -186.512 -167.285 12.1959 -53.3729 -154.508 -136.307 101.776 -50.4467 -32.673 PRESSAVG: 4811800 -32.6484 -18.2856 4.18061 -18.2855 -0.351047 21.3007 4.18061 21.3006 -33.0768 GPRESSAVG: 4811800 -31.9005 -17.3829 3.74351 -19.7112 -1.41181 22.9058 4.16096 20.3381 -32.9318 TIMING: 4811800 CPU: 13931.2, 0.00290702/step Wall: 13931.2, 0.00290702/step, 0.151972 hours remaining, 211.574219 MB of memory in use. ENERGY: 4811800 747.4872 2131.8759 1935.8009 107.3687 -206189.3239 17583.0100 0.0000 0.0000 34006.4882 -149677.2930 296.9871 -183683.7812 -149585.4134 298.0965 -157.5968 -124.5643 557919.1753 -22.0254 -22.0814 PRESSURE: 4812000 -82.6935 179.815 -145.814 179.814 143.384 36.919 -145.815 36.9169 30.5452 GPRESSURE: 4812000 -75.2016 117.493 -75.8757 273.093 185.192 61.0615 -178.297 38.5666 81.8856 PRESSAVG: 4812000 -28.2857 -9.84156 18.1624 -9.84162 44.8984 51.2282 18.1624 51.2281 -17.1549 GPRESSAVG: 4812000 -27.6784 -11.3539 20.7893 -9.18727 44.4377 50.6677 17.2237 52.8153 -17.1645 TIMING: 4812000 CPU: 13931.8, 0.00293706/step Wall: 13931.8, 0.00293706/step, 0.15338 hours remaining, 211.574219 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: 4812000 710.2768 2056.9873 1929.4431 108.5675 -206629.8587 17926.9202 0.0000 0.0000 34418.5136 -149479.1502 300.5854 -183897.6638 -149384.6019 298.5410 30.4118 63.9586 558357.1175 -0.1808 -0.1351 PRESSURE: 4812200 -33.1851 15.2751 -214.403 15.2743 -10.5107 22.6212 -214.402 22.6221 21.9187 GPRESSURE: 4812200 30.34 -15.9023 -303.216 19.8281 -16.5048 22.4501 -149.378 85.6639 71.388 PRESSAVG: 4812200 44.3113 3.61037 -1.87602 3.61038 -8.69812 -6.80517 -1.87614 -6.80519 -20.773 GPRESSAVG: 4812200 43.0761 5.29937 -3.33611 1.39153 -8.06325 -5.24658 0.965218 -8.51704 -20.1857 TIMING: 4812200 CPU: 13932.4, 0.002942/step Wall: 13932.4, 0.002942/step, 0.153475 hours remaining, 211.574219 MB of memory in use. ENERGY: 4812200 755.0409 2089.7383 1964.9139 100.4033 -206526.0005 17878.1823 0.0000 0.0000 34083.6089 -149654.1128 297.6606 -183737.7218 -149554.4195 298.1081 -7.2590 28.4077 556372.1719 4.9467 4.9424 LDB: ============= START OF LOAD BALANCING ============== 13935.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13935.8 LDB: =============== DONE WITH MIGRATION ================ 13935.8 LDB: ============= START OF LOAD BALANCING ============== 13936.1 LDB: Largest compute 4773 load 0.026366 is 22.4% of average load 0.117930 LDB: Average compute 0.001728 is 1.5% of average load 0.117930 LDB: TIME 13936.1 LOAD: AVG 0.11793 MAX 0.179473 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.688 MB LDB: TIME 13936.1 LOAD: AVG 0.11793 MAX 0.179473 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.891 MB LDB: TIME 13936.1 LOAD: AVG 0.11793 MAX 0.179473 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.891 MB LDB: ============== END OF LOAD BALANCING =============== 13936.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13936.1 PRESSURE: 4812400 -100.042 120.707 -53.0794 120.707 -11.134 5.1271 -53.079 5.12817 -53.7597 GPRESSURE: 4812400 -46.6242 121.857 -78.8536 124.075 16.3963 -42.8744 -44.1172 -14.4723 -40.7116 PRESSAVG: 4812400 -11.2936 57.5982 43.1734 57.5981 -20.7861 70.8403 43.1734 70.8404 5.50142 GPRESSAVG: 4812400 -11.964 56.5829 42.7608 57.3468 -20.9127 66.9877 42.0624 73.4679 5.5373 TIMING: 4812400 CPU: 13933, 0.00295434/step Wall: 13933, 0.00295434/step, 0.153954 hours remaining, 211.820312 MB of memory in use. ENERGY: 4812400 746.8574 2047.3293 1971.7470 112.0715 -206621.5845 17866.8602 0.0000 0.0000 34012.9057 -149863.8135 297.0432 -183876.7192 -149762.4668 297.9456 -54.9787 -23.6465 556818.7444 -8.8594 -9.1131 PRESSURE: 4812600 -277.166 -125.408 214.836 -125.407 -127.944 54.2055 214.834 54.205 -116.44 GPRESSURE: 4812600 -222.025 -91.7744 159.222 -207.042 -132.928 55.5704 236.636 7.72483 -61.1651 PRESSAVG: 4812600 -88.0867 0.827129 33.9822 0.827222 22.4868 -4.57943 33.9822 -4.57938 75.9276 GPRESSAVG: 4812600 -87.6233 1.02585 34.23 1.3372 22.5225 -1.40219 34.3302 -7.9078 75.2268 TIMING: 4812600 CPU: 13933.6, 0.00292013/step Wall: 13933.6, 0.00292013/step, 0.152009 hours remaining, 212.023438 MB of memory in use. ENERGY: 4812600 726.0161 2091.5109 1962.6538 104.3600 -206144.5820 17581.5474 0.0000 0.0000 33860.0308 -149818.4630 295.7081 -183678.4938 -149726.8353 297.5699 -173.8499 -138.7062 558102.9800 3.4426 3.3753 PRESSURE: 4812800 10.3934 -10.6405 137.957 -10.6401 9.27123 -12.1736 137.957 -12.1722 -16.3021 GPRESSURE: 4812800 25.4568 -125.006 -46.4093 13.9668 77.0379 91.5611 229.187 -69.2116 -1.63968 PRESSAVG: 4812800 -76.9727 19.8945 24.5513 19.8945 48.9919 5.17262 24.5513 5.17268 -6.47748 GPRESSAVG: 4812800 -77.4226 20.6932 23.9567 18.7703 48.8378 4.73207 24.4488 8.14925 -6.13931 TIMING: 4812800 CPU: 13934.1, 0.00290279/step Wall: 13934.1, 0.00290279/step, 0.150945 hours remaining, 212.023438 MB of memory in use. ENERGY: 4812800 754.7201 2054.0281 1979.3164 116.5390 -206967.4410 17948.8647 0.0000 0.0000 34288.4319 -149825.5408 299.4494 -184113.9727 -149725.3781 297.6522 1.1209 33.6183 555725.2047 -11.4861 -11.5747 PRESSURE: 4813000 -0.435117 27.5586 -195.459 27.5571 -264.805 -13.1548 -195.458 -13.1536 -76.0637 GPRESSURE: 4813000 44.9213 91.854 -253.162 39.1866 -224.348 3.66648 -112.343 1.39064 -61.4458 PRESSAVG: 4813000 37.7377 9.81668 -4.36476 9.81665 14.6066 58.1688 -4.36486 58.1689 1.96572 GPRESSAVG: 4813000 38.4456 9.1797 -4.45365 10.4024 13.9723 59.1494 -4.47146 56.8243 1.72972 TIMING: 4813000 CPU: 13934.7, 0.0029122/step Wall: 13934.7, 0.0029122/step, 0.151273 hours remaining, 212.023438 MB of memory in use. ENERGY: 4813000 728.8264 2063.0546 1956.4723 115.1905 -205945.9459 17519.0543 0.0000 0.0000 33987.6249 -149575.7228 296.8224 -183563.3477 -149474.7097 298.0308 -113.7681 -80.2907 557403.9251 18.1033 18.0492 PRESSURE: 4813200 118.866 -74.8489 -62.3386 -74.8486 30.2515 16.3069 -62.3384 16.306 16.3145 GPRESSURE: 4813200 163.943 -101.476 -30.2981 -12.1388 74.9702 10.8875 -79.0804 -94.1848 29.7009 PRESSAVG: 4813200 6.14583 23.8636 -19.2503 23.8637 13.8009 -33.9194 -19.2502 -33.9194 -17.6436 GPRESSAVG: 4813200 4.87968 22.8872 -18.6633 25.0036 15.731 -34.4508 -18.0795 -34.7864 -18.5391 TIMING: 4813200 CPU: 13935.3, 0.00290325/step Wall: 13935.3, 0.00290325/step, 0.150646 hours remaining, 212.023438 MB of memory in use. ENERGY: 4813200 754.9681 2085.5603 1941.4270 102.9549 -206540.1450 17989.1446 0.0000 0.0000 34284.3580 -149381.7321 299.4138 -183666.0901 -149289.4391 298.9198 55.1440 89.5381 557586.5492 0.7677 0.6905 PRESSURE: 4813400 -45.3061 165.309 66.5973 165.308 -29.204 -85.5846 66.5983 -85.5848 -108.931 GPRESSURE: 4813400 -3.76919 129.01 206.689 266.194 15.5685 22.2951 18.8028 -143.025 -82.6622 PRESSAVG: 4813400 -18.465 -19.9937 59.5496 -19.9937 33.4959 -90.8983 59.5496 -90.8984 16.4828 GPRESSAVG: 4813400 -17.35 -19.6335 60.5573 -20.4418 32.4035 -92.1428 59.1676 -88.6601 16.8227 TIMING: 4813400 CPU: 13935.9, 0.0029033/step Wall: 13935.9, 0.0029033/step, 0.150488 hours remaining, 212.023438 MB of memory in use. ENERGY: 4813400 765.6623 2091.6667 1945.6118 115.7273 -206567.2559 18029.4636 0.0000 0.0000 34424.7103 -149194.4140 300.6396 -183619.1242 -149102.3335 299.7764 -61.1471 -23.6210 557503.5240 10.5046 10.6254 PRESSURE: 4813600 30.4846 -66.3028 18.4448 -66.302 51.2018 -83.3197 18.4447 -83.3195 -67.8804 GPRESSURE: 4813600 100.185 24.9272 109.562 -83.6189 41.2937 -141.165 -21.1022 -10.1218 -28.4663 PRESSAVG: 4813600 15.724 -18.457 1.46007 -18.4571 50.1735 -5.03806 1.46002 -5.03808 -71.1063 GPRESSAVG: 4813600 15.5393 -18.1156 1.03199 -19.6885 50.0201 -4.33284 -1.43032 -5.24196 -71.2144 TIMING: 4813600 CPU: 13936.5, 0.00289261/step Wall: 13936.5, 0.00289261/step, 0.149773 hours remaining, 212.023438 MB of memory in use. ENERGY: 4813600 741.8989 2081.8758 1968.1680 121.7603 -205973.4513 17844.9455 0.0000 0.0000 34159.3763 -149055.4264 298.3223 -183214.8027 -148959.3227 299.9861 4.6020 37.6708 557337.2810 -1.7363 -1.8850 PRESSURE: 4813800 72.6908 51.6498 60.5104 51.6489 88.6059 -200.092 60.5108 -200.093 188.274 GPRESSURE: 4813800 109.886 -25.3312 137.485 51.1799 84.0553 -279.832 32.8467 -176.783 244.147 PRESSAVG: 4813800 11.6125 -26.2095 12.7738 -26.2095 25.2505 -8.83782 12.7739 -8.83775 -8.89542 GPRESSAVG: 4813800 11.922 -27.356 12.2748 -25.4228 23.6983 -9.14808 13.3607 -9.1864 -7.84333 TIMING: 4813800 CPU: 13937, 0.00289542/step Wall: 13937, 0.00289542/step, 0.149758 hours remaining, 212.023438 MB of memory in use. ENERGY: 4813800 741.9866 2091.7579 1969.9523 111.7938 -206115.3118 18019.1917 0.0000 0.0000 34212.1116 -148968.5179 298.7829 -183180.6295 -148876.8252 300.0964 116.5235 146.0295 558022.1448 9.3225 9.2590 PRESSURE: 4814000 2.07998 -9.08822 -12.2153 -9.089 -289.626 123.094 -12.2154 123.095 171.912 GPRESSURE: 4814000 -32.06 86.5684 59.4662 27.5801 -245.698 88.8078 -110.437 154.655 263.163 PRESSAVG: 4814000 -2.47712 -1.37736 -11.3245 -1.37744 -13.8466 24.7114 -11.3245 24.7115 29.6125 GPRESSAVG: 4814000 -3.74488 0.494081 -9.02254 -2.21573 -12.5064 25.9507 -12.7907 23.9785 29.608 TIMING: 4814000 CPU: 13937.6, 0.0029449/step Wall: 13937.6, 0.0029449/step, 0.152153 hours remaining, 212.023438 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: 4814000 750.3153 2100.7262 1933.4645 107.9372 -205860.4423 17704.3551 0.0000 0.0000 34332.8692 -148930.7748 299.8375 -183263.6440 -148838.0449 300.0566 -38.5447 -4.8647 557589.3827 4.4296 4.4522 PRESSURE: 4814200 -30.8307 88.3585 51.7863 88.3598 -411.424 -44.6152 51.7867 -44.6153 148.197 GPRESSURE: 4814200 -20.1589 100.557 159.616 141.89 -312.601 -19.3037 -48.5904 98.6245 139.702 PRESSAVG: 4814200 -15.1943 78.0817 21.733 78.0817 -1.55288 -41.2712 21.7331 -41.2713 16.186 GPRESSAVG: 4814200 -14.2586 76.9591 21.6389 77.5423 -0.221545 -40.9178 23.0012 -43.0984 14.3763 TIMING: 4814200 CPU: 13938.2, 0.00291469/step Wall: 13938.2, 0.00291469/step, 0.15043 hours remaining, 212.023438 MB of memory in use. ENERGY: 4814200 733.0248 2148.0703 1944.5023 109.9025 -205673.2595 17581.9468 0.0000 0.0000 34257.7523 -148898.0606 299.1815 -183155.8129 -148799.7540 300.7268 -98.0193 -64.3528 557713.0915 -0.1870 -0.0346 PRESSURE: 4814400 -324.722 72.7439 -62.3103 72.744 124.3 -29.9103 -62.3107 -29.9099 -94.3343 GPRESSURE: 4814400 -319.112 143.795 -74.408 -29.9776 155.267 -1.11107 86.4535 -84.1531 -34.7815 PRESSAVG: 4814400 -23.9995 80.027 -19.3227 80.027 -74.6765 -20.9711 -19.3227 -20.9711 93.9233 GPRESSAVG: 4814400 -24.8822 79.4113 -21.0382 80.9481 -75.0921 -22.9971 -20.4489 -19.8408 95.4691 TIMING: 4814400 CPU: 13938.8, 0.00288179/step Wall: 13938.8, 0.00288179/step, 0.148572 hours remaining, 212.023438 MB of memory in use. ENERGY: 4814400 766.8650 2089.6904 1949.5837 116.5956 -205609.1985 17536.0770 0.0000 0.0000 34348.7298 -148801.6571 299.9760 -183150.3870 -148714.4672 300.7760 -98.2520 -66.2090 557437.1612 -1.5842 -1.5017 PRESSURE: 4814600 -185.03 -55.9281 -22.1401 -55.9275 137.066 -151.152 -22.1403 -151.151 76.9699 GPRESSURE: 4814600 -116.502 -105.82 7.68281 -29.5982 146.148 -89.153 -67.8803 -265.47 104.787 PRESSAVG: 4814600 -27.4033 -27.4933 31.2898 -27.4935 29.3878 -57.144 31.2897 -57.1439 14.6159 GPRESSAVG: 4814600 -27.0099 -26.9881 30.8087 -27.8324 29.8059 -57.8933 32.9275 -56.7954 13.227 TIMING: 4814600 CPU: 13939.4, 0.0029058/step Wall: 13939.4, 0.0029058/step, 0.149649 hours remaining, 212.023438 MB of memory in use. ENERGY: 4814600 744.2858 2056.8956 1946.0817 104.7368 -205944.3594 17744.6432 0.0000 0.0000 34504.2530 -148843.4633 301.3342 -183347.7163 -148745.3893 300.8845 9.6687 44.8109 557741.3832 5.5335 5.3410 PRESSURE: 4814800 145.324 -165.778 64.5045 -165.777 110.799 54.7731 64.5044 54.7749 -34.5388 GPRESSURE: 4814800 200.137 -195.983 119.571 -150.254 116.825 -103.232 -23.4407 73.5056 5.19376 PRESSAVG: 4814800 -22.9182 -84.7355 40.7826 -84.7355 54.2804 -7.58937 40.7825 -7.58931 -46.3391 GPRESSAVG: 4814800 -22.4465 -85.6669 41.5108 -83.8101 53.0873 -6.16896 40.0835 -6.59247 -45.7491 TIMING: 4814800 CPU: 13939.9, 0.00291726/step Wall: 13939.9, 0.00291726/step, 0.150077 hours remaining, 212.023438 MB of memory in use. ENERGY: 4814800 699.9468 2145.5034 1929.8899 99.6903 -206401.7359 17876.7095 0.0000 0.0000 34634.7685 -149015.2274 302.4740 -183649.9960 -148918.2027 300.9157 73.8613 107.3852 556762.3293 -4.9923 -5.0361 PRESSURE: 4815000 -179.006 -34.3959 -187.656 -34.3948 -387.37 -16.2395 -187.657 -16.2387 -180.429 GPRESSURE: 4815000 -137.957 -106.86 -172.773 45.3855 -356.847 -92.5875 -172.397 0.762776 -157.635 PRESSAVG: 4815000 -8.46129 -24.2006 20.5795 -24.2006 40.6473 -31.9132 20.5795 -31.9131 12.9288 GPRESSAVG: 4815000 -8.73991 -23.3277 19.8911 -24.9938 40.4787 -31.8104 20.926 -32.869 13.7005 TIMING: 4815000 CPU: 13940.5, 0.00291773/step Wall: 13940.5, 0.00291773/step, 0.149939 hours remaining, 212.023438 MB of memory in use. ENERGY: 4815000 746.7396 2052.3339 1913.6893 106.0239 -205884.2559 17538.9785 0.0000 0.0000 34549.4441 -148977.0466 301.7289 -183526.4907 -148885.2858 300.9473 -248.9349 -217.4797 559678.8472 15.0383 15.1464 PRESSURE: 4815200 -165.925 -166.694 77.9433 -166.694 146.629 156.01 77.943 156.009 -154.107 GPRESSURE: 4815200 -133.518 -139.335 42.608 -251.396 178.149 110.644 83.9089 240.238 -118.439 PRESSAVG: 4815200 42.3134 -52.8827 18.145 -52.8827 -3.63757 8.45179 18.145 8.45184 -22.6472 GPRESSAVG: 4815200 42.0391 -52.7292 18.4261 -52.694 -1.72281 7.90698 17.4839 9.19189 -24.3273 TIMING: 4815200 CPU: 13941.1, 0.00295253/step Wall: 13941.1, 0.00295253/step, 0.151563 hours remaining, 212.023438 MB of memory in use. ENERGY: 4815200 751.0665 2071.9778 1949.6392 110.7882 -206062.9884 17759.2412 0.0000 0.0000 34254.2320 -149166.0436 299.1507 -183420.2756 -149066.0420 299.4050 -57.8008 -24.6029 559384.9433 5.3429 5.3297 PRESSURE: 4815400 -341.44 -126.332 73.481 -126.331 -18.921 0.308089 73.4818 0.308206 -37.0869 GPRESSURE: 4815400 -268.748 -135.446 -61.0702 -118.218 16.3045 -73.2401 144.84 -27.5025 -42.3645 PRESSAVG: 4815400 28.6095 -41.7916 19.0123 -41.7915 24.3685 42.7766 19.0123 42.7766 -21.9218 GPRESSAVG: 4815400 27.9685 -41.8656 18.7171 -41.1063 23.3778 43.6283 18.5139 42.7521 -19.8301 TIMING: 4815400 CPU: 13941.7, 0.0029336/step Wall: 13941.7, 0.00293359/step, 0.150428 hours remaining, 212.023438 MB of memory in use. ENERGY: 4815400 737.7377 2010.0831 1932.1171 109.9349 -206140.6944 17722.3903 0.0000 0.0000 34227.6076 -149400.8237 298.9182 -183628.4313 -149310.0330 299.4480 -132.4827 -98.2692 558337.8343 10.3520 10.5054 PRESSURE: 4815600 220.309 -61.6507 111.073 -61.6507 58.9752 -134.485 111.071 -134.484 98.6975 GPRESSURE: 4815600 242.504 -97.1687 90.1019 -131.43 95.1669 -128.652 129.039 -171.204 131.65 PRESSAVG: 4815600 69.4301 -65.6371 -6.96624 -65.6371 6.06169 22.0876 -6.96631 22.0876 -25.6894 GPRESSAVG: 4815600 70.2756 -66.3365 -5.47586 -65.1621 5.12181 21.9012 -6.1742 21.0244 -25.9759 TIMING: 4815600 CPU: 13942.3, 0.00293357/step Wall: 13942.3, 0.00293357/step, 0.150264 hours remaining, 212.023438 MB of memory in use. ENERGY: 4815600 727.0723 2087.5580 1962.7341 103.6244 -206840.7543 18200.8257 0.0000 0.0000 34205.4227 -149553.5171 298.7245 -183758.9398 -149468.7283 298.2292 125.9938 156.4404 557930.8514 16.6008 16.4738 PRESSURE: 4815800 -55.5047 63.2459 262.78 63.2449 309.109 64.6943 262.78 64.6944 -15.2014 GPRESSURE: 4815800 6.35572 19.0817 234.266 83.2266 313.201 37.5107 255.378 90.6867 14.3424 PRESSAVG: 4815800 16.818 -6.91247 38.4454 -6.91241 4.97634 14.7226 38.4453 14.7226 -42.4571 GPRESSAVG: 4815800 17.4181 -5.28025 37.3977 -7.99258 4.67824 13.9345 38.0469 16.8568 -42.2171 TIMING: 4815800 CPU: 13942.9, 0.002968/step Wall: 13942.9, 0.002968/step, 0.151863 hours remaining, 212.023438 MB of memory in use. ENERGY: 4815800 720.6932 2139.4983 1944.4626 113.9250 -206421.2815 17919.5996 0.0000 0.0000 34127.5993 -149455.5036 298.0448 -183583.1029 -149364.7974 298.4292 79.4677 111.2998 558318.7274 -6.8876 -6.7069 PRESSURE: 4816000 258.544 64.6908 202.944 64.6903 211.759 -31.184 202.944 -31.1834 -61.914 GPRESSURE: 4816000 290.758 111.784 219.773 30.3107 229.126 -43.7521 241.412 -65.6363 -24.0332 PRESSAVG: 4816000 21.4327 8.51058 77.625 8.5106 50.0889 -6.57037 77.625 -6.57028 -86.3153 GPRESSAVG: 4816000 20.5165 8.8898 77.0357 7.89132 50.342 -4.4939 79.0929 -6.6118 -85.942 TIMING: 4816000 CPU: 13943.5, 0.00289832/step Wall: 13943.5, 0.00289832/step, 0.148136 hours remaining, 212.023438 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: 4816000 748.3816 2087.6837 1952.9830 105.7838 -206735.7203 17989.5539 0.0000 0.0000 34493.8058 -149357.5286 301.2430 -183851.3344 -149260.7469 298.3902 136.1296 165.2835 557596.1786 -4.9312 -5.0278 PRESSURE: 4816200 47.5184 146.878 -84.5778 146.877 65.0272 -46.595 -84.5772 -46.5945 -92.6189 GPRESSURE: 4816200 27.0983 207.992 -0.924794 93.9871 112.763 -97.899 -130.656 -92.8017 -29.7329 PRESSAVG: 4816200 -44.7548 5.29814 23.7403 5.29815 53.4227 8.1809 23.7403 8.18099 6.7292 GPRESSAVG: 4816200 -44.8658 3.99628 25.1995 5.82593 53.9039 5.55082 21.9985 9.34724 5.99006 TIMING: 4816200 CPU: 13944, 0.0029058/step Wall: 13944, 0.0029058/step, 0.148357 hours remaining, 212.023438 MB of memory in use. ENERGY: 4816200 742.6387 2050.2977 1957.8247 110.9249 -206405.5906 17943.1427 0.0000 0.0000 34292.6581 -149308.1038 299.4863 -183600.7620 -149209.4186 299.5511 6.6423 36.7096 556859.4344 5.1324 5.0094 LDB: ============= START OF LOAD BALANCING ============== 13947.4 LDB: ============== END OF LOAD BALANCING =============== 13947.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13947.4 LDB: ============= START OF LOAD BALANCING ============== 13947.7 LDB: Largest compute 4773 load 0.026155 is 22.2% of average load 0.117980 LDB: Average compute 0.001728 is 1.5% of average load 0.117980 LDB: TIME 13947.7 LOAD: AVG 0.11798 MAX 0.177874 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.797 MB LDB: TIME 13947.7 LOAD: AVG 0.11798 MAX 0.177874 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.797 MB LDB: TIME 13947.7 LOAD: AVG 0.11798 MAX 0.177874 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.797 MB LDB: ============== END OF LOAD BALANCING =============== 13947.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13947.7 PRESSURE: 4816400 -282.821 200.182 -17.3015 200.181 -193.825 51.6069 -17.301 51.6068 -97.4125 GPRESSURE: 4816400 -275.822 190.856 -14.836 197.455 -91.2002 104.769 -85.3615 -40.2078 -118.618 PRESSAVG: 4816400 -27.1908 46.8362 16.7486 46.8362 -20.3434 10.4047 16.7487 10.4047 29.9172 GPRESSAVG: 4816400 -27.6621 47.2539 14.4641 47.8106 -20.3272 12.2208 17.5973 9.33126 30.7584 TIMING: 4816400 CPU: 13944.6, 0.00297153/step Wall: 13944.6, 0.00297153/step, 0.151548 hours remaining, 212.078125 MB of memory in use. ENERGY: 4816400 747.0029 2006.6903 1932.0685 114.1320 -205880.4942 17422.4399 0.0000 0.0000 34250.6866 -149407.4741 299.1198 -183658.1607 -149307.9881 298.5183 -191.3528 -161.8803 558102.6232 -5.8723 -5.7436 PRESSURE: 4816600 -161.311 -17.4111 -10.2901 -17.4119 -86.3729 -0.324664 -10.29 -0.324677 25.1276 GPRESSURE: 4816600 -120.51 10.1905 -4.93279 45.8842 -61.9464 -0.728748 -49.8303 -38.9261 60.1026 PRESSAVG: 4816600 16.7697 18.0382 51.4285 18.0382 8.65895 20.7473 51.4285 20.7473 -11.9628 GPRESSAVG: 4816600 16.781 17.7179 52.4274 19.0462 9.49677 20.2461 51.0134 20.3189 -12.2075 TIMING: 4816600 CPU: 13945.2, 0.00290265/step Wall: 13945.2, 0.00290265/step, 0.147874 hours remaining, 212.078125 MB of memory in use. ENERGY: 4816600 799.6277 2036.9147 1944.5107 119.9027 -206195.4717 17770.6386 0.0000 0.0000 34146.3682 -149377.5091 298.2087 -183523.8773 -149279.5003 298.5394 -74.1855 -40.7847 557103.4770 4.4886 4.6901 PRESSURE: 4816800 -212.892 95.0257 -120.35 95.0255 -126.324 163.534 -120.35 163.532 120.575 GPRESSURE: 4816800 -180.744 149.862 -113.531 97.8172 -72.3099 159.588 -211.225 113.211 124.75 PRESSAVG: 4816800 -0.404552 16.2803 50.3356 16.2803 -64.8927 -22.8881 50.3356 -22.8881 24.6653 GPRESSAVG: 4816800 2.53237 16.5985 49.2213 15.0248 -65.499 -22.9246 53.1374 -23.6474 23.1681 TIMING: 4816800 CPU: 13945.8, 0.00290631/step Wall: 13945.8, 0.00290631/step, 0.147899 hours remaining, 212.078125 MB of memory in use. ENERGY: 4816800 750.1925 2086.5423 1958.7409 108.5884 -205826.5297 17681.0901 0.0000 0.0000 34018.9109 -149222.4647 297.0956 -183241.3757 -149132.7021 298.3847 -72.8802 -42.7678 558680.6988 -13.5440 -13.2662 PRESSURE: 4817000 13.1822 5.30661 273.939 5.30697 -32.5889 -133.378 273.939 -133.379 -79.3015 GPRESSURE: 4817000 -11.269 34.6057 202.271 -58.5988 9.56989 -120.849 282.112 -132.528 -14.8687 PRESSAVG: 4817000 50.0544 15.2675 2.95245 15.2675 2.55783 -20.2102 2.95249 -20.2102 -9.69304 GPRESSAVG: 4817000 47.954 15.6155 4.51304 13.8959 4.33045 -20.8457 1.15437 -20.4144 -9.5431 TIMING: 4817000 CPU: 13946.4, 0.00289202/step Wall: 13946.4, 0.00289202/step, 0.147011 hours remaining, 212.078125 MB of memory in use. ENERGY: 4817000 737.2083 2094.2011 1908.8003 105.2767 -206311.0162 17662.4268 0.0000 0.0000 34388.6367 -149414.4664 300.3245 -183803.1031 -149319.1529 298.7339 -32.9027 -5.5226 558301.5171 14.3064 14.2471 PRESSURE: 4817200 44.6664 57.8926 2.97666 57.8927 -140.506 -137.974 2.97588 -137.974 -61.9736 GPRESSURE: 4817200 25.1473 68.5083 69.5581 35.859 -13.5527 -128.06 14.4473 -123.808 -57.9593 PRESSAVG: 4817200 27.4814 37.5485 -31.9829 37.5486 14.3412 24.3293 -31.9829 24.3295 -45.2795 GPRESSAVG: 4817200 27.8851 37.787 -31.5412 36.031 12.8224 24.2558 -32.5658 26.035 -44.3425 TIMING: 4817200 CPU: 13947, 0.0029189/step Wall: 13947, 0.0029189/step, 0.148215 hours remaining, 212.078125 MB of memory in use. ENERGY: 4817200 761.0823 2035.0689 1941.4431 95.5283 -206121.7748 17695.3943 0.0000 0.0000 34152.3013 -149440.9567 298.2605 -183593.2579 -149347.9427 298.1692 -52.6042 -15.4549 557455.1757 -1.1523 -1.2117 PRESSURE: 4817400 -92.2352 32.1908 -137.788 32.1926 128.542 -1.31975 -137.789 -1.31865 1.99406 GPRESSURE: 4817400 3.7135 -54.3706 -189.301 52.3064 111.976 42.562 -17.8804 25.1487 27.8224 PRESSAVG: 4817400 25.2138 55.8383 -52.8606 55.8383 29.1468 8.78106 -52.8606 8.781 -12.2364 GPRESSAVG: 4817400 25.1166 54.7146 -53.9175 57.5707 29.5753 7.82137 -50.8662 8.96304 -12.8108 TIMING: 4817400 CPU: 13947.5, 0.00290011/step Wall: 13947.5, 0.00290011/step, 0.1471 hours remaining, 212.078125 MB of memory in use. ENERGY: 4817400 732.4994 2035.2173 1932.5381 118.7479 -206582.5958 18114.0860 0.0000 0.0000 34158.9717 -149490.5355 298.3188 -183649.5072 -149394.4375 298.2841 12.7669 47.8374 558312.9481 14.0414 13.9603 PRESSURE: 4817600 -30.0007 -102.373 80.4536 -102.372 -2.65395 -7.13806 80.4539 -7.13742 -30.0341 GPRESSURE: 4817600 -45.1215 -89.4354 15.106 -152.255 68.8016 -5.83541 148.937 -62.7055 7.08297 PRESSAVG: 4817600 -11.9671 -55.4584 25.1141 -55.4583 7.8998 -66.3008 25.114 -66.3008 -15.2341 GPRESSAVG: 4817600 -13.1902 -54.0691 24.9351 -55.9846 7.79427 -65.5548 24.4603 -68.0084 -14.3066 TIMING: 4817600 CPU: 13948.1, 0.00288455/step Wall: 13948.1, 0.00288455/step, 0.14615 hours remaining, 212.078125 MB of memory in use. ENERGY: 4817600 742.2431 2123.2150 1935.2897 102.9822 -206295.8009 17917.2187 0.0000 0.0000 34052.9403 -149421.9118 297.3928 -183474.8521 -149325.8780 298.5612 -20.8962 10.2543 560062.3772 -6.4338 -6.5675 PRESSURE: 4817800 -50.2722 -38.55 73.6581 -38.5494 113.307 -40.8468 73.659 -40.8466 -205.686 GPRESSURE: 4817800 -39.6003 -65.0999 59.9063 -71.158 115.415 52.0845 12.3849 -21.4547 -107.725 PRESSAVG: 4817800 7.22828 -43.1879 39.5056 -43.188 48.166 -6.98382 39.5056 -6.98377 -49.8828 GPRESSAVG: 4817800 8.40866 -45.2784 39.8568 -42.5745 47.3085 -5.25406 40.1393 -7.19353 -49.267 TIMING: 4817800 CPU: 13948.7, 0.00286617/step Wall: 13948.7, 0.00286617/step, 0.14506 hours remaining, 212.078125 MB of memory in use. ENERGY: 4817800 722.3505 2072.1013 1962.2011 128.9952 -206436.3969 17873.0035 0.0000 0.0000 34222.3426 -149455.4026 298.8722 -183677.7453 -149357.2664 298.1221 -47.5505 -10.6367 558940.9228 1.8371 2.1500 PRESSURE: 4818000 -99.2164 143.74 -70.3352 143.74 -228.924 -86.183 -70.3363 -86.1833 -2.68216 GPRESSURE: 4818000 -69.044 135.446 -66.8597 53.2069 -160.262 -74.7229 8.97873 -94.4041 -6.96436 PRESSAVG: 4818000 -31.748 -26.8698 16.5776 -26.8698 65.1995 -66.5079 16.5776 -66.5079 -38.4836 GPRESSAVG: 4818000 -32.1359 -24.8979 16.0642 -27.081 66.0783 -65.6468 17.3699 -66.3595 -39.2653 TIMING: 4818000 CPU: 13949.3, 0.00288672/step Wall: 13949.3, 0.00288672/step, 0.14594 hours remaining, 212.078125 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: 4818000 748.7315 2072.6068 1919.5398 127.5755 -206563.4774 17849.3180 0.0000 0.0000 34247.7100 -149597.9958 299.0938 -183845.7058 -149505.8144 298.5121 -110.2741 -78.7568 558579.5371 -1.6774 -1.7743 PRESSURE: 4818200 -290.336 -152.018 53.4596 -152.018 -46.4144 86.6 53.4598 86.6016 110.216 GPRESSURE: 4818200 -200.905 -105.461 -37.361 -231.411 18.4011 185.717 92.4633 36.071 61.8854 PRESSAVG: 4818200 -72.3417 38.4297 -23.9139 38.4298 49.0424 -30.3324 -23.914 -30.3324 3.02942 GPRESSAVG: 4818200 -71.6663 37.4873 -23.3865 39.7179 49.2548 -32.8497 -26.0566 -28.6937 1.5243 TIMING: 4818200 CPU: 13949.9, 0.00288266/step Wall: 13949.9, 0.00288266/step, 0.145574 hours remaining, 212.078125 MB of memory in use. ENERGY: 4818200 743.6794 2080.3689 1929.0677 107.6905 -206162.6669 17726.5130 0.0000 0.0000 33921.1141 -149654.2333 296.2415 -183575.3474 -149557.1647 297.4088 -75.5114 -40.2063 557436.3431 -6.7566 -6.9624 PRESSURE: 4818400 -111.21 -91.6117 -104.897 -91.611 -292.853 -137.82 -104.898 -137.821 -178.212 GPRESSURE: 4818400 -94.2647 -122.558 -48.163 -131.185 -276.414 -118.82 -170.248 -134.019 -115.39 PRESSAVG: 4818400 -20.7539 -13.5727 -30.4702 -13.5727 2.33607 26.8466 -30.4703 26.8465 11.1416 GPRESSAVG: 4818400 -20.8548 -12.8193 -28.7952 -13.3572 1.63747 27.9062 -31.5658 25.4803 12.89 TIMING: 4818400 CPU: 13950.4, 0.00291447/step Wall: 13950.4, 0.00291447/step, 0.147019 hours remaining, 212.078125 MB of memory in use. ENERGY: 4818400 794.4815 2111.2090 1938.4952 114.2816 -206034.6290 17550.6892 0.0000 0.0000 33947.1665 -149578.3061 296.4690 -183525.4725 -149480.7283 297.3872 -194.0913 -162.0230 556626.5308 -2.4254 -2.1091 PRESSURE: 4818600 -379.081 142.395 131.185 142.396 -167.82 -8.51189 131.185 -8.51127 81.1966 GPRESSURE: 4818600 -285.328 152.042 38.3439 153.882 -178.9 27.8132 24.3298 74.1379 105.571 PRESSAVG: 4818600 23.5767 -44.2945 -8.13193 -44.2946 -43.9948 30.1409 -8.13192 30.141 41.9749 GPRESSAVG: 4818600 23.765 -45.8221 -9.6077 -44.4009 -43.7098 30.5473 -6.984 29.7808 41.2464 TIMING: 4818600 CPU: 13951, 0.00291912/step Wall: 13951, 0.00291912/step, 0.147091 hours remaining, 212.078125 MB of memory in use. ENERGY: 4818600 770.8220 2068.3905 1963.2146 105.5715 -206170.4734 17737.8503 0.0000 0.0000 34061.9820 -149462.6424 297.4718 -183524.6244 -149367.6268 298.2262 -155.2348 -119.5522 557449.5188 7.1856 7.1005 PRESSURE: 4818800 -61.6204 -0.855831 72.8162 -0.856574 -111.833 -205.781 72.8175 -205.782 16.6564 GPRESSURE: 4818800 6.80784 117.791 41.9341 -81.2985 -131.267 -191.045 163.977 -94.1706 67.9199 PRESSAVG: 4818800 -18.9999 33.8092 17.912 33.8092 -4.22945 68.7569 17.9121 68.7569 40.7657 GPRESSAVG: 4818800 -20.508 35.6617 18.4796 32.9561 -3.31618 71.1457 18.9188 69.9904 41.4397 TIMING: 4818800 CPU: 13951.6, 0.00291161/step Wall: 13951.6, 0.00291161/step, 0.146551 hours remaining, 212.078125 MB of memory in use. ENERGY: 4818800 727.8844 2065.9804 1973.7649 111.4975 -206655.6000 17967.6107 0.0000 0.0000 34204.3122 -149604.5498 298.7148 -183808.8621 -149517.5622 297.7375 -52.2656 -18.8464 557122.2863 5.8454 5.8718 PRESSURE: 4819000 93.407 -84.1803 77.388 -84.1786 -210.367 51.2411 77.3878 51.2401 -30.5162 GPRESSURE: 4819000 100.493 -69.231 -2.55263 -75.6958 -144.085 44.6243 41.5619 0.965457 -9.38421 PRESSAVG: 4819000 1.81012 16.7408 37.8536 16.7407 -41.5344 60.2465 37.8537 60.2465 45.1482 GPRESSAVG: 4819000 2.07227 14.7633 38.5854 18.14 -42.7987 57.6419 36.6596 57.7341 45.7239 TIMING: 4819000 CPU: 13952.2, 0.00289937/step Wall: 13952.2, 0.00289937/step, 0.145774 hours remaining, 212.078125 MB of memory in use. ENERGY: 4819000 759.3497 2108.3131 1957.4747 109.8122 -206061.7471 17547.3184 0.0000 0.0000 34104.9272 -149474.5517 297.8468 -183579.4789 -149368.7987 298.4492 -49.1586 -17.6587 556240.3545 1.8080 1.6658 PRESSURE: 4819200 7.4517 -141.131 -12.2465 -141.13 -323.374 44.0375 -12.246 44.036 152.006 GPRESSURE: 4819200 69.3665 -156.92 14.9293 -180.644 -271.703 11.699 17.9043 127.289 130.292 PRESSAVG: 4819200 -31.9425 -19.309 3.2306 -19.3091 -49.1737 16.5668 3.23051 16.5668 55.037 GPRESSAVG: 4819200 -31.043 -17.9216 3.79983 -21.3183 -48.5486 14.7882 3.48244 19.3449 53.7534 TIMING: 4819200 CPU: 13952.8, 0.00291562/step Wall: 13952.8, 0.00291562/step, 0.146429 hours remaining, 212.078125 MB of memory in use. ENERGY: 4819200 739.7778 2103.6283 1951.4546 105.4634 -206466.5935 17800.3638 0.0000 0.0000 34360.1258 -149405.7798 300.0755 -183765.9056 -149307.2220 298.5301 -54.6386 -24.0149 557403.9199 -8.6931 -8.6127 PRESSURE: 4819400 -67.7611 92.4656 73.643 92.4672 111.722 77.4175 73.6421 77.4167 91.2902 GPRESSURE: 4819400 12.6682 83.8005 107.891 155.077 123.214 88.0196 104.155 38.4578 93.8154 PRESSAVG: 4819400 25.5621 35.862 20.0235 35.862 -18.2227 55.2701 20.0235 55.2702 21.2088 GPRESSAVG: 4819400 25.0298 36.8768 17.8036 36.6166 -17.8548 54.509 19.9752 54.9845 21.2678 TIMING: 4819400 CPU: 13953.3, 0.00289165/step Wall: 13953.3, 0.00289165/step, 0.145064 hours remaining, 212.078125 MB of memory in use. ENERGY: 4819400 716.8302 2035.7755 1927.9895 107.4529 -206483.6564 18055.0527 0.0000 0.0000 34085.6843 -149554.8713 297.6788 -183640.5556 -149457.2845 298.4001 45.0837 76.5658 557085.2646 9.5160 9.4809 PRESSURE: 4819600 -58.1295 154.431 150.67 154.431 -196.146 76.8978 150.669 76.8954 -95.744 GPRESSURE: 4819600 -9.83732 216.848 272.193 122.012 -183.63 104.869 126.088 133.001 -39.1054 PRESSAVG: 4819600 9.93792 59.7207 31.6363 59.7207 -1.38177 7.94339 31.6364 7.9434 -13.4694 GPRESSAVG: 4819600 9.36201 57.5264 33.7747 58.8897 -1.38398 10.1443 32.6966 8.31962 -12.8015 TIMING: 4819600 CPU: 13953.9, 0.00291432/step Wall: 13953.9, 0.00291432/step, 0.14604 hours remaining, 212.078125 MB of memory in use. ENERGY: 4819600 773.1197 2100.9603 1938.5857 112.7936 -206476.4334 17915.9758 0.0000 0.0000 34138.0223 -149496.9759 298.1358 -183634.9982 -149407.8560 298.2599 -116.6732 -77.5242 557152.4285 -1.6377 -1.6078 PRESSURE: 4819800 -108.334 -13.103 86.0307 -13.1031 261.493 -46.6718 86.03 -46.6729 -217.398 GPRESSURE: 4819800 -79.0063 34.2385 49.7259 -61.3164 307.62 -25.8081 155.119 -47.2979 -189.165 PRESSAVG: 4819800 -20.5492 36.4484 12.3024 36.4484 4.41066 45.2031 12.3023 45.2029 -46.6598 GPRESSAVG: 4819800 -20.337 36.8899 11.8491 38.4764 4.72571 44.807 12.7688 44.7101 -47.1796 TIMING: 4819800 CPU: 13954.5, 0.00291589/step Wall: 13954.5, 0.00291589/step, 0.145956 hours remaining, 212.078125 MB of memory in use. ENERGY: 4819800 758.6676 2054.8189 1937.6215 114.5527 -206459.3932 17857.9153 0.0000 0.0000 34334.3988 -149401.4185 299.8508 -183735.8172 -149308.1611 298.0731 -21.4130 13.1494 557587.5661 -20.9328 -20.9303 PRESSURE: 4820000 25.2819 20.4184 -148.238 20.4196 -164.964 86.8767 -148.239 86.8775 -49.6948 GPRESSURE: 4820000 132.156 46.497 -115.211 -26.3384 -170.879 72.2279 -196.438 102.36 -55.7447 PRESSAVG: 4820000 17.5202 13.1917 33.8866 13.1918 -55.6504 -30.064 33.8866 -30.0639 21.9966 GPRESSAVG: 4820000 18.8223 12.992 33.4872 14.3364 -56.5695 -30.8543 31.5295 -29.6721 22.4113 TIMING: 4820000 CPU: 13955.1, 0.00291381/step Wall: 13955.1, 0.00291381/step, 0.145691 hours remaining, 212.078125 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: 4820000 740.0054 2075.7021 1953.6334 130.4475 -206645.8126 17889.6033 0.0000 0.0000 34459.9482 -149396.4726 300.9473 -183856.4209 -149299.2711 298.6167 -63.1258 -31.4892 557884.9765 -5.3779 -5.1120 PRESSURE: 4820200 50.5004 -64.2059 12.066 -64.2057 -181.974 75.685 12.0648 75.6857 -21.4824 GPRESSURE: 4820200 85.7894 -94.11 -35.0226 4.37944 -161.392 39.8034 -70.2477 66.559 15.0323 PRESSAVG: 4820200 6.48173 -13.1523 39.7328 -13.1522 -60.1588 -23.4324 39.7328 -23.4324 39.5623 GPRESSAVG: 4820200 5.84737 -10.5362 38.8839 -15.6044 -59.7957 -22.7328 41.5974 -23.5591 39.4742 TIMING: 4820200 CPU: 13955.7, 0.00293401/step Wall: 13955.7, 0.00293401/step, 0.146537 hours remaining, 212.078125 MB of memory in use. ENERGY: 4820200 739.4895 2113.7087 1927.4413 110.0585 -206378.2872 17781.0024 0.0000 0.0000 34360.6311 -149345.9556 300.0799 -183706.5867 -149248.0900 299.0881 -50.9854 -20.1901 554922.0259 -4.7049 -4.8247 LDB: ============= START OF LOAD BALANCING ============== 13959.1 LDB: ============== END OF LOAD BALANCING =============== 13959.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13959.1 LDB: ============= START OF LOAD BALANCING ============== 13959.4 LDB: Largest compute 4799 load 0.026113 is 22.1% of average load 0.117935 LDB: Average compute 0.001730 is 1.5% of average load 0.117935 LDB: TIME 13959.4 LOAD: AVG 0.117935 MAX 0.17852 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.645 MB LDB: TIME 13959.4 LOAD: AVG 0.117935 MAX 0.17852 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.848 MB LDB: TIME 13959.4 LOAD: AVG 0.117935 MAX 0.17852 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.848 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13959.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13959.4 PRESSURE: 4820400 -44.5253 -61.0158 7.12534 -61.0169 -59.7571 -24.3355 7.12436 -24.3351 -63.0482 GPRESSURE: 4820400 -48.2986 -90.8416 -5.30138 13.5508 0.790099 4.28995 165.626 72.7929 -21.9865 PRESSAVG: 4820400 11.4306 -16.3774 -36.944 -16.3775 -19.3767 1.53388 -36.9439 1.53375 23.5889 GPRESSAVG: 4820400 11.4028 -14.7818 -35.9472 -17.0282 -19.9216 1.28608 -37.319 1.96405 25.2423 TIMING: 4820400 CPU: 13956.3, 0.00297847/step Wall: 13956.3, 0.00297847/step, 0.148593 hours remaining, 212.394531 MB of memory in use. ENERGY: 4820400 747.5287 2042.8657 1929.8380 114.5297 -206530.7868 17899.3630 0.0000 0.0000 34513.5356 -149283.1260 301.4153 -183796.6616 -149184.4438 299.3384 -55.7769 -23.1650 557701.6666 5.2143 5.5745 PRESSURE: 4820600 44.2531 253.812 1.33748 253.813 -142.604 -90.2815 1.33818 -90.2826 -69.9912 GPRESSURE: 4820600 31.111 179.808 84.3412 206.689 -95.6874 -25.8568 -12.2025 -123.618 -0.767426 PRESSAVG: 4820600 -93.932 -20.6699 53.1214 -20.6699 61.2585 -45.2599 53.1215 -45.2598 21.6581 GPRESSAVG: 4820600 -94.6431 -25.1255 52.2476 -19.6853 62.5907 -45.0517 53.8565 -45.143 21.0088 TIMING: 4820600 CPU: 13956.9, 0.00292439/step Wall: 13956.9, 0.00292439/step, 0.145732 hours remaining, 212.855469 MB of memory in use. ENERGY: 4820600 762.2241 2059.4163 1949.0036 118.1220 -206188.3270 17815.0003 0.0000 0.0000 34105.3313 -149379.2294 297.8503 -183484.5607 -149285.3586 299.4575 -56.1140 -21.7813 557051.3470 -3.6718 -3.6812 PRESSURE: 4820800 -226.776 -203.587 42.8155 -203.587 -182.661 -58.6702 42.8156 -58.6706 -264.823 GPRESSURE: 4820800 -193.256 -293.043 -2.62307 -144.739 -177.81 -139.881 78.3226 -34.789 -196.73 PRESSAVG: 4820800 -18.9173 6.59551 26.7532 6.59547 -67.7188 -8.55839 26.7531 -8.55854 59.6959 GPRESSAVG: 4820800 -17.6123 8.78266 27.9331 5.29535 -68.3117 -8.72816 27.38 -9.21556 58.8913 TIMING: 4820800 CPU: 13957.4, 0.00294498/step Wall: 13957.4, 0.00294498/step, 0.146595 hours remaining, 212.855469 MB of memory in use. ENERGY: 4820800 756.9735 2099.5868 1963.8706 118.5790 -206177.6450 17571.1151 0.0000 0.0000 34366.2416 -149301.2784 300.1289 -183667.5201 -149205.4108 299.1835 -224.7534 -189.2654 557549.0076 -8.9801 -9.0109 PRESSURE: 4821000 -169.437 -127.789 105.854 -127.79 -212.28 32.9939 105.853 32.9938 -73.447 GPRESSURE: 4821000 -101.927 -111.389 90.8962 -85.539 -121.138 33.396 74.6671 51.6525 -121.625 PRESSAVG: 4821000 15.0079 7.68851 78.4592 7.68859 -28.1756 -55.4185 78.4593 -55.4185 23.0417 GPRESSAVG: 4821000 14.7623 6.83221 77.0062 8.22683 -28.4436 -55.229 79.7653 -56.7161 24.2893 TIMING: 4821000 CPU: 13958, 0.00290635/step Wall: 13958, 0.00290635/step, 0.14451 hours remaining, 212.855469 MB of memory in use. ENERGY: 4821000 779.5114 2099.2288 1961.9673 99.4625 -206381.4377 17765.8104 0.0000 0.0000 34197.5785 -149477.8787 298.6560 -183675.4572 -149372.5939 299.2473 -151.7214 -114.8967 556809.2090 3.2913 3.5360 PRESSURE: 4821200 -36.3321 -46.9397 175.307 -46.9375 287.108 -92.6034 175.308 -92.6032 11.4415 GPRESSURE: 4821200 -7.55402 -13.5237 237.019 -36.4525 333.324 -5.54586 135.236 -115.146 23.9816 PRESSAVG: 4821200 -65.5864 -5.88576 79.4566 -5.88584 26.7013 38.5144 79.4565 38.5143 34.603 GPRESSAVG: 4821200 -66.2847 -3.95339 79.7855 -5.9553 27.4354 39.1857 78.0407 37.9297 34.3197 TIMING: 4821200 CPU: 13958.6, 0.0029193/step Wall: 13958.6, 0.0029193/step, 0.144992 hours remaining, 212.855469 MB of memory in use. ENERGY: 4821200 766.5898 2096.2323 1982.4621 121.7683 -206669.6069 18113.1126 0.0000 0.0000 34200.2192 -149389.2225 298.6790 -183589.4418 -149295.8375 298.2246 87.4057 116.5840 557028.8142 -1.4274 -1.5099 PRESSURE: 4821400 115.973 67.2567 -49.5404 67.2565 -208.482 -210.883 -49.5405 -210.882 104.093 GPRESSURE: 4821400 87.0694 94.379 -108.909 41.8368 -129.551 -188.607 -45.2966 -278.017 145.673 PRESSAVG: 4821400 -28.4483 -12.9258 16.5638 -12.9258 0.705272 -89.5762 16.5639 -89.5762 -21.0502 GPRESSAVG: 4821400 -28.0245 -16.3021 18.2244 -10.1053 1.08661 -89.9469 16.7352 -86.6249 -22.1783 TIMING: 4821400 CPU: 13959.2, 0.00290336/step Wall: 13959.2, 0.00290336/step, 0.144039 hours remaining, 212.855469 MB of memory in use. ENERGY: 4821400 735.5807 2149.3491 1932.1018 123.3388 -206436.1544 17753.7812 0.0000 0.0000 34311.4767 -149430.5261 299.6507 -183742.0028 -149328.5136 298.6015 3.8613 34.3972 555979.9835 -16.2644 -16.3721 PRESSURE: 4821600 -128.241 -37.2683 -24.2535 -37.2678 -81.3584 -45.8713 -24.2551 -45.8716 -14.0547 GPRESSURE: 4821600 -36.9828 46.2628 -49.1856 -108.655 -123.762 -80.5118 17.05 -98.7213 44.2754 PRESSAVG: 4821600 -17.7281 6.2351 -50.4833 6.23517 21.0478 -93.927 -50.4833 -93.927 11.5278 GPRESSAVG: 4821600 -16.103 7.90633 -52.6765 4.3617 20.0767 -95.7976 -51.8368 -94.1616 10.941 TIMING: 4821600 CPU: 13959.8, 0.00291238/step Wall: 13959.8, 0.00291238/step, 0.144324 hours remaining, 212.855469 MB of memory in use. ENERGY: 4821600 796.0444 2096.8062 1968.8814 121.6031 -206397.5577 17862.6699 0.0000 0.0000 34117.6080 -149433.9446 297.9576 -183551.5527 -149336.4517 298.5453 -74.5513 -38.8232 559131.3286 4.9492 4.9716 PRESSURE: 4821800 -126.185 68.2657 128.092 68.2657 -281.802 30.7424 128.093 30.7418 -49.0963 GPRESSURE: 4821800 -106.882 97.9487 65.4686 49.9636 -220.082 86.7597 77.6563 -34.8833 -25.1072 PRESSAVG: 4821800 9.24763 21.2457 -45.5959 21.2457 -16.1519 -60.505 -45.5961 -60.5051 15.2072 GPRESSAVG: 4821800 8.35814 21.7313 -44.6438 19.3298 -15.0744 -59.6989 -44.1272 -61.3758 15.3259 TIMING: 4821800 CPU: 13960.4, 0.00292026/step Wall: 13960.4, 0.00292026/step, 0.144553 hours remaining, 212.855469 MB of memory in use. ENERGY: 4821800 795.6493 2107.0179 1971.1101 118.3118 -206247.1724 17737.9448 0.0000 0.0000 34197.0895 -149320.0489 298.6517 -183517.1384 -149226.0965 299.2113 -152.3612 -117.3568 558096.0864 2.7676 2.8699 PRESSURE: 4822000 -80.2848 -55.1533 -130.573 -55.1527 69.5927 114.402 -130.572 114.401 -129.117 GPRESSURE: 4822000 -35.1316 -18.7791 -107.729 -62.1977 20.2038 46.8118 -131.506 94.3594 -26.9706 PRESSAVG: 4822000 3.91302 15.347 -42.4179 15.347 -35.9056 3.46556 -42.418 3.46559 5.67482 GPRESSAVG: 4822000 3.60089 14.224 -43.351 17.3542 -35.377 5.303 -42.5996 3.06538 5.84476 TIMING: 4822000 CPU: 13960.9, 0.00291261/step Wall: 13960.9, 0.00291261/step, 0.144012 hours remaining, 212.855469 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: 4822000 788.2278 2120.4278 1930.7971 122.6124 -206472.5963 17950.7663 0.0000 0.0000 34206.1367 -149353.6282 298.7307 -183559.7649 -149265.8138 299.4080 -46.6030 -13.9661 557394.2079 -8.7726 -8.6438 PRESSURE: 4822200 132.85 9.36179 -53.9413 9.36276 225.775 31.4669 -53.9424 31.4664 -16.4389 GPRESSURE: 4822200 153.784 43.6222 -55.3696 -74.0524 269.71 24.8286 39.5802 3.0581 10.098 PRESSAVG: 4822200 21.6968 35.546 8.55395 35.5459 -9.47786 -27.4688 8.55404 -27.4687 2.12502 GPRESSAVG: 4822200 21.5306 36.1975 10.1952 35.7363 -9.48118 -28.2911 10.3671 -28.3838 2.00133 TIMING: 4822200 CPU: 13961.5, 0.00289244/step Wall: 13961.5, 0.00289244/step, 0.142854 hours remaining, 212.855469 MB of memory in use. ENERGY: 4822200 755.8389 2107.5775 1909.9514 103.9474 -206556.3754 17982.9536 0.0000 0.0000 34578.1622 -149117.9444 301.9797 -183696.1066 -149016.6537 299.4679 114.0619 144.5308 556167.9294 4.7813 4.6836 PRESSURE: 4822400 -98.2676 -162.306 -70.0954 -162.305 -299.695 -114.343 -70.094 -114.343 -31.9698 GPRESSURE: 4822400 -25.0731 -215.862 -75.7435 -86.0032 -266.139 -258.345 -66.9232 52.6578 -36.4163 PRESSAVG: 4822400 -28.6141 6.57839 24.7114 6.57845 15.4562 28.887 24.7114 28.8871 33.2624 GPRESSAVG: 4822400 -27.7725 6.76894 23.1119 6.02545 14.1247 28.0492 24.5827 29.4676 33.5975 TIMING: 4822400 CPU: 13962.1, 0.00292414/step Wall: 13962.1, 0.00292414/step, 0.144258 hours remaining, 212.855469 MB of memory in use. ENERGY: 4822400 762.5381 2109.6557 1908.1598 119.1826 -205774.5384 17481.6589 0.0000 0.0000 34237.8243 -149155.5190 299.0074 -183393.3433 -149063.2508 299.6675 -143.3108 -109.2095 556133.1251 6.7015 6.6499 PRESSURE: 4822600 232.8 167.628 93.1764 167.627 36.6925 135.124 93.1762 135.125 209.286 GPRESSURE: 4822600 227.813 233.964 173.559 119.894 103.688 127.942 75.7147 69.082 257.445 PRESSAVG: 4822600 30.422 29.2892 30.439 29.2893 -17.2716 27.8844 30.439 27.8844 -23.3829 GPRESSAVG: 4822600 29.5992 29.7818 29.776 27.6246 -16.7817 29.4733 30.4489 27.6162 -22.3173 TIMING: 4822600 CPU: 13962.7, 0.00289621/step Wall: 13962.7, 0.00289621/step, 0.142719 hours remaining, 212.855469 MB of memory in use. ENERGY: 4822600 734.8265 2120.3343 1911.8956 118.2908 -206402.1160 18047.5296 0.0000 0.0000 34371.7248 -149097.5145 300.1768 -183469.2393 -149001.7968 300.4213 159.5928 196.3152 557053.3563 -3.4109 -3.1666 PRESSURE: 4822800 -0.892427 54.2959 4.36822 54.2956 200.277 -20.5533 4.36912 -20.5531 5.21957 GPRESSURE: 4822800 51.3937 35.515 -12.5409 0.566165 223.15 -63.2211 -40.9638 -50.4197 39.6894 PRESSAVG: 4822800 19.7029 6.62042 1.16066 6.6204 -21.8346 16.749 1.16068 16.749 2.18657 GPRESSAVG: 4822800 21.4042 5.37015 2.59837 8.88735 -21.4279 16.9214 -1.32446 16.88 1.13683 TIMING: 4822800 CPU: 13963.3, 0.00291703/step Wall: 13963.3, 0.00291703/step, 0.143583 hours remaining, 212.855469 MB of memory in use. ENERGY: 4822800 748.4784 2069.4460 1937.9883 130.5433 -206194.8300 17969.5069 0.0000 0.0000 34366.9854 -148971.8816 300.1354 -183338.8670 -148869.6315 300.8575 68.2013 104.7445 558081.9685 0.0183 0.3710 PRESSURE: 4823000 -11.1206 -118.765 129.884 -118.765 -351.804 83.3827 129.883 83.3824 -117.466 GPRESSURE: 4823000 64.6358 -89.7757 111.614 -40.6669 -326.324 43.7211 40.8752 120.59 -127.547 PRESSAVG: 4823000 47.4118 -34.7684 -49.9162 -34.7684 -47.1797 -7.41946 -49.9162 -7.4195 33.1534 GPRESSAVG: 4823000 46.9401 -32.9514 -49.5207 -35.7859 -47.1499 -9.71842 -49.1102 -6.69059 34.1034 TIMING: 4823000 CPU: 13963.9, 0.00293996/step Wall: 13963.9, 0.00293996/step, 0.144548 hours remaining, 212.855469 MB of memory in use. ENERGY: 4823000 761.7629 2087.0857 1955.6334 114.5104 -205908.2215 17725.7537 0.0000 0.0000 34348.8730 -148914.6025 299.9773 -183263.4755 -148818.8591 299.9383 -160.1301 -129.7450 558722.6167 11.1285 11.2979 PRESSURE: 4823200 -160.143 74.4258 132.097 74.4279 -22.045 187.557 132.098 187.557 184.369 GPRESSURE: 4823200 -77.3229 -41.4376 147.198 74.6773 -81.6226 177.145 77.9966 142.821 270.431 PRESSAVG: 4823200 3.86421 -7.65612 1.25081 -7.65606 -36.6955 37.3691 1.25082 37.3693 47.6828 GPRESSAVG: 4823200 2.76377 -7.88138 -0.671966 -8.39349 -35.9582 39.3824 0.859314 36.1746 47.8534 TIMING: 4823200 CPU: 13964.4, 0.00292204/step Wall: 13964.4, 0.00292204/step, 0.143505 hours remaining, 212.855469 MB of memory in use. ENERGY: 4823200 735.7568 2074.0395 1990.1467 114.2396 -206427.1600 18075.6137 0.0000 0.0000 34296.2505 -149141.1132 299.5177 -183437.3636 -149041.7608 300.0975 0.7271 37.1617 557946.6056 4.9505 4.8863 PRESSURE: 4823400 226.804 34.9151 12.4695 34.9147 161.848 -164.459 12.4678 -164.46 -135.968 GPRESSURE: 4823400 329.661 38.8974 -22.1385 21.1292 150.273 -140.131 -68.7831 -114.497 -131.093 PRESSAVG: 4823400 -25.1186 -19.684 -18.6352 -19.684 -52.4229 49.5896 -18.6352 49.5895 77.2969 GPRESSAVG: 4823400 -23.6612 -20.7479 -18.5926 -19.1286 -53.1805 49.8501 -17.9724 49.8817 76.6463 TIMING: 4823400 CPU: 13965, 0.00291221/step Wall: 13965, 0.00291221/step, 0.14286 hours remaining, 212.855469 MB of memory in use. ENERGY: 4823400 741.4318 2115.7128 1932.9608 102.0396 -206377.6239 18071.6084 0.0000 0.0000 34285.3471 -149128.5235 299.4225 -183413.8706 -149030.8359 300.0452 84.2280 116.2800 557508.4611 -0.0815 -0.0651 PRESSURE: 4823600 -53.5899 -102.48 -63.1372 -102.481 -63.2545 -0.184613 -63.1364 -0.18432 48.539 GPRESSURE: 4823600 -28.4718 -101.773 -95.8952 -110.652 55.777 7.33223 -30.6229 16.7822 -4.63709 PRESSAVG: 4823600 -9.88031 -68.6307 -11.56 -68.6307 79.2703 -22.7779 -11.5601 -22.778 -75.6385 GPRESSAVG: 4823600 -9.97131 -68.1529 -12.8252 -67.7037 80.9542 -23.9632 -9.2973 -23.5456 -77.3516 TIMING: 4823600 CPU: 13965.6, 0.00291269/step Wall: 13965.6, 0.00291269/step, 0.142722 hours remaining, 212.855469 MB of memory in use. ENERGY: 4823600 735.5305 2121.3298 1947.2104 111.0166 -206607.8471 17894.8909 0.0000 0.0000 34642.2874 -149155.5815 302.5397 -183797.8689 -149062.5077 299.6968 -22.7684 7.5560 558343.5784 -2.0829 -2.1229 PRESSURE: 4823800 -205.517 29.8199 5.52223 29.8182 -101.548 60.1873 5.52185 60.1869 -132.315 GPRESSURE: 4823800 -203.97 88.5113 0.548038 14.8859 -43.2158 54.8186 -47.3292 21.2029 -98.049 PRESSAVG: 4823800 -23.4547 31.2012 -19.399 31.2012 40.1648 53.7538 -19.399 53.7538 -0.300358 GPRESSAVG: 4823800 -24.3741 31.012 -18.4792 31.4445 39.1678 55.2477 -20.7805 55.6565 1.98596 TIMING: 4823800 CPU: 13966.2, 0.00293165/step Wall: 13966.2, 0.00293165/step, 0.143488 hours remaining, 212.855469 MB of memory in use. ENERGY: 4823800 749.3824 2094.0108 1955.9065 102.8194 -205923.2879 17620.6121 0.0000 0.0000 34343.5942 -149056.9624 299.9312 -183400.5567 -148954.4120 299.9243 -146.4601 -115.0782 558706.1533 5.4699 5.5932 PRESSURE: 4824000 64.8078 90.1796 -92.125 90.1809 -117.636 -229.516 -92.1255 -229.516 -165.736 GPRESSURE: 4824000 99.3223 12.7444 -128.936 139.222 -83.4278 -277.34 -97.5276 -171.816 -140.243 PRESSAVG: 4824000 19.2062 11.2438 -43.5857 11.2438 -27.2344 5.06459 -43.5857 5.06455 -45.0123 GPRESSAVG: 4824000 19.9181 10.1356 -42.3633 12.3163 -26.9605 3.35599 -46.9094 5.20347 -45.9275 TIMING: 4824000 CPU: 13966.8, 0.00293555/step Wall: 13966.8, 0.00293555/step, 0.143516 hours remaining, 212.855469 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: 4824000 755.0117 2053.2267 1969.6278 111.6268 -205631.7503 17594.4592 0.0000 0.0000 34270.3141 -148877.4841 299.2912 -183147.7981 -148773.3308 299.9241 -72.8549 -41.4496 558235.8134 -17.6802 -17.6566 PRESSURE: 4824200 -26.5746 -3.98095 -59.2929 -3.98018 -91.6182 -10.4275 -59.2934 -10.4264 -250.517 GPRESSURE: 4824200 29.9498 -5.12246 -68.9251 -47.0327 -68.6913 75.0814 -82.4459 8.40058 -229.253 PRESSAVG: 4824200 -35.6111 29.9624 10.4789 29.9624 9.8385 -9.90941 10.4788 -9.90949 52.7756 GPRESSAVG: 4824200 -36.2797 28.8412 8.40966 28.5125 10.0665 -9.16831 12.9341 -10.8723 53.53 TIMING: 4824200 CPU: 13967.4, 0.00291257/step Wall: 13967.4, 0.00291257/step, 0.142231 hours remaining, 212.855469 MB of memory in use. ENERGY: 4824200 738.6987 2094.2523 1945.4556 104.4587 -205834.7678 17580.5547 0.0000 0.0000 34325.1791 -149046.1688 299.7703 -183371.3479 -148943.6414 300.0346 -122.9033 -89.3315 559525.2276 9.0010 9.1056 LDB: ============= START OF LOAD BALANCING ============== 13970.7 LDB: ============== END OF LOAD BALANCING =============== 13970.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13970.7 LDB: ============= START OF LOAD BALANCING ============== 13971 LDB: Largest compute 4773 load 0.027061 is 22.9% of average load 0.117947 LDB: Average compute 0.001736 is 1.5% of average load 0.117947 LDB: TIME 13971 LOAD: AVG 0.117947 MAX 0.1789 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.785 MB LDB: TIME 13971 LOAD: AVG 0.117947 MAX 0.1789 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.789 MB LDB: TIME 13971 LOAD: AVG 0.117947 MAX 0.1789 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.789 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13971 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13971 PRESSURE: 4824400 -217.189 -191.118 1.16025 -191.117 -275.067 31.8708 1.16084 31.8673 14.5809 GPRESSURE: 4824400 -189.766 -182.812 81.932 -253.237 -212.9 18.7558 7.9672 121.059 25.5848 PRESSAVG: 4824400 3.21124 -59.2067 1.81456 -59.2067 -56.1076 -25.5929 1.81455 -25.5928 51.9353 GPRESSAVG: 4824400 2.82028 -56.8606 3.17173 -59.6096 -56.6629 -25.6415 1.13315 -26.0498 52.8934 TIMING: 4824400 CPU: 13968, 0.00295271/step Wall: 13968, 0.00295271/step, 0.144027 hours remaining, 212.597656 MB of memory in use. ENERGY: 4824400 756.8354 2031.4042 1931.3020 119.6934 -206152.4035 17776.3879 0.0000 0.0000 34450.6448 -149086.1359 300.8660 -183536.7807 -148991.5444 299.6708 -159.2251 -125.6938 559580.8593 -0.3203 -0.3164 PRESSURE: 4824600 44.5816 -134.761 -66.5855 -134.761 21.6677 75.5959 -66.5858 75.5957 -11.1942 GPRESSURE: 4824600 69.5752 -136.078 -28.3923 -78.622 5.30003 39.5739 -92.1529 58.3325 90.6141 PRESSAVG: 4824600 48.3404 -31.2604 11.8132 -31.2604 -36.7202 -13.0823 11.8134 -13.0824 14.7897 GPRESSAVG: 4824600 49.238 -32.8408 10.5178 -30.3976 -37.2135 -12.2993 12.0915 -12.1905 13.9978 TIMING: 4824600 CPU: 13968.5, 0.00288826/step Wall: 13968.5, 0.00288826/step, 0.140723 hours remaining, 212.597656 MB of memory in use. ENERGY: 4824600 755.1307 2089.6035 1949.3749 119.1041 -206371.6365 17904.6559 0.0000 0.0000 34515.5873 -149038.1800 301.4332 -183553.7674 -148937.0952 300.0417 18.3517 55.1631 557326.2942 8.8033 8.6741 PRESSURE: 4824800 -145.437 -23.685 5.37692 -23.684 -123.445 98.7902 5.37724 98.79 -106.175 GPRESSURE: 4824800 -86.4114 -52.5569 -73.8399 38.5827 -115.141 99.1355 84.9331 192.241 -63.0857 PRESSAVG: 4824800 1.63403 21.4104 36.0089 21.4104 10.4041 27.0589 36.0089 27.059 4.54818 GPRESSAVG: 4824800 2.57611 23.8335 36.2736 19.329 10.525 25.2275 37.4014 27.1976 3.13932 TIMING: 4824800 CPU: 13969.1, 0.00289987/step Wall: 13969.1, 0.00289987/step, 0.141127 hours remaining, 212.597656 MB of memory in use. ENERGY: 4824800 765.3627 2107.0630 1945.7535 109.7735 -206096.3083 17741.9187 0.0000 0.0000 34463.7458 -148962.6910 300.9805 -183426.4368 -148863.5665 300.8174 -125.0190 -88.2128 558034.1260 5.5288 5.4135 PRESSURE: 4825000 -365.656 9.57177 -34.5155 9.57251 57.1751 -26.0064 -34.515 -26.0066 -133.737 GPRESSURE: 4825000 -382.172 68.5117 -41.6269 -31.9346 98.3507 14.501 -61.884 -121.824 -57.4196 PRESSAVG: 4825000 -26.8857 7.20276 -8.41561 7.20282 -12.684 -42.7722 -8.41557 -42.7723 -8.57304 GPRESSAVG: 4825000 -28.113 4.29733 -6.35728 7.94325 -12.4894 -42.2352 -10.0902 -43.7065 -7.57164 TIMING: 4825000 CPU: 13969.7, 0.00292857/step Wall: 13969.7, 0.00292857/step, 0.142361 hours remaining, 212.597656 MB of memory in use. ENERGY: 4825000 777.4385 2065.2522 1946.5663 100.0005 -205830.0282 17516.6851 0.0000 0.0000 34458.2941 -148965.7915 300.9329 -183424.0857 -148867.7201 300.6399 -147.4060 -113.7470 557220.3171 -16.0476 -16.0580 PRESSURE: 4825200 -163.431 69.5604 -20.628 69.5601 37.096 -102.213 -20.6269 -102.213 -112.298 GPRESSURE: 4825200 -78.3932 78.9358 -24.5966 147.415 45.7476 -111.338 30.4437 -188.788 -99.3891 PRESSAVG: 4825200 -35.9643 -41.8828 -88.1296 -41.8828 78.6692 -21.3821 -88.1296 -21.382 -41.9448 GPRESSAVG: 4825200 -35.9973 -40.9055 -89.873 -43.1447 77.9946 -21.0928 -87.8018 -19.6949 -41.1602 TIMING: 4825200 CPU: 13970.3, 0.00291648/step Wall: 13970.3, 0.00291648/step, 0.141611 hours remaining, 212.597656 MB of memory in use. ENERGY: 4825200 746.2484 2108.5301 1944.4454 119.1209 -206106.8165 17831.1331 0.0000 0.0000 34299.4261 -149057.9126 299.5454 -183357.3387 -148964.8125 299.8623 -79.5443 -44.0116 558024.5009 0.2534 0.2790 PRESSURE: 4825400 -291.085 33.6125 -106.451 33.612 243.567 11.9019 -106.45 11.9006 -67.4226 GPRESSURE: 4825400 -274.989 52.7941 -66.2575 55.0615 241.528 49.3002 -117.238 -33.9527 16.6222 PRESSAVG: 4825400 -49.9725 8.09356 -4.4347 8.09352 32.7486 -82.0842 -4.43476 -82.0842 11.8977 GPRESSAVG: 4825400 -50.8775 10.0556 -2.80519 10.1891 34.2121 -82.6867 -5.37398 -82.4267 11.5471 TIMING: 4825400 CPU: 13970.9, 0.00293371/step Wall: 13970.9, 0.00293371/step, 0.142285 hours remaining, 212.597656 MB of memory in use. ENERGY: 4825400 720.5767 2052.5266 1947.0107 108.2231 -205988.6443 17739.4729 0.0000 0.0000 34331.1430 -149089.6913 299.8224 -183420.8343 -148993.1836 300.0581 -38.3134 -5.6132 558870.7886 -1.7754 -1.7061 PRESSURE: 4825600 200.393 -7.93715 168.557 -7.93687 67.7114 -163.405 168.557 -163.406 221.679 GPRESSURE: 4825600 265.198 20.968 173.781 -28.3827 101.198 -240.568 188.257 -47.5575 228.336 PRESSAVG: 4825600 -18.7805 28.8163 -22.486 28.8163 -27.2398 -31.0609 -22.486 -31.0608 19.1017 GPRESSAVG: 4825600 -18.0632 27.637 -23.9295 28.5729 -28.0659 -31.3238 -21.5238 -30.6443 19.2707 TIMING: 4825600 CPU: 13971.5, 0.00294589/step Wall: 13971.5, 0.00294589/step, 0.142712 hours remaining, 212.597656 MB of memory in use. ENERGY: 4825600 717.2660 2100.6552 1964.3696 109.6267 -206316.5307 18050.7434 0.0000 0.0000 34173.8498 -149200.0200 298.4487 -183373.8698 -149096.9876 299.3195 163.2611 198.2440 557870.5962 -8.9729 -8.9528 PRESSURE: 4825800 74.9156 -103.829 22.6712 -103.83 57.492 -36.6182 22.6703 -36.6181 -200.655 GPRESSURE: 4825800 150.344 -140.477 -9.22617 -100.859 29.2006 -97.6999 3.99469 26.5159 -142.408 PRESSAVG: 4825800 -24.5373 -12.7178 -32.0349 -12.7177 3.14738 -37.8734 -32.035 -37.8734 27.4558 GPRESSAVG: 4825800 -25.1593 -13.31 -33.0915 -13.275 3.20952 -36.7888 -31.1824 -38.1069 27.8358 TIMING: 4825800 CPU: 13972, 0.00291857/step Wall: 13972, 0.00291857/step, 0.141226 hours remaining, 212.597656 MB of memory in use. ENERGY: 4825800 740.0100 2054.1025 1934.8966 106.3944 -206325.4801 17839.7548 0.0000 0.0000 34427.2559 -149223.0659 300.6618 -183650.3218 -149131.2158 299.2363 -22.7491 12.3789 557089.3562 2.0220 1.9620 PRESSURE: 4826000 -129.045 -235.732 16.9394 -235.732 -82.3434 -174.423 16.9407 -174.422 97.132 GPRESSURE: 4826000 -115.53 -216.136 -22.8494 -183.536 -100.606 -209.934 -45.5432 -99.7996 212.323 PRESSAVG: 4826000 -47.8402 -19.1941 2.41466 -19.1941 59.3554 -16.6966 2.41471 -16.6967 -7.99157 GPRESSAVG: 4826000 -47.3089 -18.8632 0.895191 -19.9716 58.0166 -16.9559 2.49105 -14.8809 -7.2118 TIMING: 4826000 CPU: 13972.6, 0.00289181/step Wall: 13972.6, 0.00289181/step, 0.139771 hours remaining, 212.882812 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: 4826000 717.5443 2043.3447 1953.8959 114.8853 -205852.2276 17756.8591 0.0000 0.0000 34172.5096 -149093.1886 298.4370 -183265.6982 -148998.5804 298.3720 -38.0854 -1.2710 558414.8368 1.1745 1.1653 PRESSURE: 4826200 92.6907 100.437 -139.957 100.437 -129.675 -66.6765 -139.958 -66.676 15.1492 GPRESSURE: 4826200 97.1289 158.196 -97.6572 78.483 -22.8563 -91.929 -210.877 -0.40499 2.19631 PRESSAVG: 4826200 1.27047 -57.8382 -5.08941 -57.8381 -16.6903 -22.6947 -5.08939 -22.6948 18.5567 GPRESSAVG: 4826200 1.21231 -60.0685 -1.15997 -56.5142 -13.8967 -22.5197 -6.41603 -23.7472 15.6512 TIMING: 4826200 CPU: 13973.2, 0.00291479/step Wall: 13973.2, 0.00291479/step, 0.140719 hours remaining, 212.882812 MB of memory in use. ENERGY: 4826200 718.0825 2133.0826 1937.8562 109.0605 -206261.1518 17827.6898 0.0000 0.0000 34500.9797 -149034.4005 301.3056 -183535.3802 -148937.0976 300.0065 -7.2782 25.4896 557699.8281 1.0456 0.9889 PRESSURE: 4826400 -323.753 42.8612 5.38502 42.8604 22.872 157.214 5.38503 157.213 -136.088 GPRESSURE: 4826400 -246.549 10.466 -45.291 56.9981 64.3282 41.5982 -7.50588 163.976 -160.349 PRESSAVG: 4826400 -24.2326 52.9842 -24.0968 52.9841 81.512 -5.27436 -24.0968 -5.27432 -4.20538 GPRESSAVG: 4826400 -22.3328 55.0822 -28.768 52.2355 79.9923 -5.38653 -21.5489 -7.23973 -4.21849 TIMING: 4826400 CPU: 13973.8, 0.00291692/step Wall: 13973.8, 0.00291692/step, 0.14066 hours remaining, 212.882812 MB of memory in use. ENERGY: 4826400 792.6133 2125.3372 1905.0711 100.5318 -205510.6034 17533.4302 0.0000 0.0000 34044.5289 -149009.0909 297.3193 -183053.6198 -148914.6638 299.5119 -145.6562 -114.1902 558780.4293 17.6914 17.8137 PRESSURE: 4826600 -123.465 -65.6096 7.50733 -65.6093 104.125 128.334 7.50884 128.333 -338.813 GPRESSURE: 4826600 -134.144 -96.7748 37.9962 -26.0851 161.49 28.9901 -72.3904 166.503 -283.906 PRESSAVG: 4826600 36.0015 -17.7682 4.62649 -17.7683 59.1991 4.50282 4.62656 4.50278 -97.306 GPRESSAVG: 4826600 33.2677 -18.3307 6.5555 -17.2905 58.5379 4.64892 2.45095 4.9666 -94.5828 TIMING: 4826600 CPU: 13974.4, 0.00287079/step Wall: 13974.4, 0.00287079/step, 0.138276 hours remaining, 212.882812 MB of memory in use. ENERGY: 4826600 717.7921 2108.7548 1948.1565 103.1709 -205971.1761 17622.5121 0.0000 0.0000 34406.1436 -149064.6461 300.4774 -183470.7897 -148972.0687 300.0131 -119.3843 -85.5203 558054.2521 -0.7018 -0.9258 PRESSURE: 4826800 -144.158 -15.3226 44.8389 -15.3236 -153.244 -123.206 44.8391 -123.205 -332.241 GPRESSURE: 4826800 -109.473 60.8245 75.9114 -16.3962 -141.127 -62.4965 103.752 -75.8143 -272.204 PRESSAVG: 4826800 43.7201 -6.244 -19.4979 -6.24397 -6.29401 40.0442 -19.4978 40.0443 -12.9862 GPRESSAVG: 4826800 45.1072 -5.5885 -17.9068 -6.81729 -6.89399 39.5186 -19.9919 40.5542 -13.8327 TIMING: 4826800 CPU: 13974.9, 0.00288512/step Wall: 13974.9, 0.00288512/step, 0.138806 hours remaining, 212.882812 MB of memory in use. ENERGY: 4826800 765.4195 2089.6107 1931.5201 115.9543 -205797.0359 17473.4735 0.0000 0.0000 34258.3911 -149162.6668 299.1870 -183421.0578 -149073.4467 299.7901 -209.8809 -174.2682 556820.7041 8.1466 8.1269 PRESSURE: 4827000 -147.05 -15.9987 -13.8863 -15.9979 -251.038 140.313 -13.8855 140.313 -70.8621 GPRESSURE: 4827000 -150.944 45.5973 -103.348 16.5068 -189.184 174.809 -10.9061 97.6212 -11.9812 PRESSAVG: 4827000 -47.8573 24.4577 -57.7131 24.4576 53.3056 -30.6186 -57.7131 -30.6187 17.532 GPRESSAVG: 4827000 -49.4771 23.466 -56.5892 25.2956 54.7047 -28.9789 -58.6991 -30.8591 16.8837 TIMING: 4827000 CPU: 13975.5, 0.00291517/step Wall: 13975.5, 0.00291517/step, 0.14009 hours remaining, 212.882812 MB of memory in use. ENERGY: 4827000 730.2663 2171.0309 1938.8807 113.2161 -205919.6979 17582.7143 0.0000 0.0000 34355.0811 -149028.5085 300.0315 -183383.5896 -148931.3914 300.2511 -156.3166 -117.3697 557004.3117 7.6601 7.3704 PRESSURE: 4827200 -151.969 -150.303 132.412 -150.303 -73.2712 -89.2312 132.411 -89.2308 103.588 GPRESSURE: 4827200 -79.3363 -133.838 224.834 -105.858 -35.8706 -59.4669 148.385 -77.1042 111.515 PRESSAVG: 4827200 28.6076 -29.2435 -51.4463 -29.2436 -61.4546 -9.10573 -51.4461 -9.1057 4.80798 GPRESSAVG: 4827200 29.4957 -29.2538 -52.4893 -29.2449 -61.3203 -10.9153 -48.7897 -7.59232 4.14397 TIMING: 4827200 CPU: 13976.1, 0.00292956/step Wall: 13976.1, 0.00292956/step, 0.140619 hours remaining, 212.882812 MB of memory in use. ENERGY: 4827200 762.1799 2047.9804 1957.6017 111.3511 -206517.1291 17922.6233 0.0000 0.0000 34528.0356 -149187.3572 301.5419 -183715.3928 -149089.0067 299.3813 -40.5509 -1.2306 556861.7663 -9.3464 -9.2269 PRESSURE: 4827400 -32.8799 2.81163 -75.2772 2.81034 161.941 84.7282 -75.2756 84.7292 -86.7376 GPRESSURE: 4827400 -1.68663 41.9399 -50.8386 -29.0411 196.499 131.155 -98.6318 149.205 -58.7428 PRESSAVG: 4827400 20.356 5.24826 -18.9639 5.24825 -19.0402 -56.4003 -18.9639 -56.4003 0.12773 GPRESSAVG: 4827400 20.8265 5.19661 -18.8067 6.22515 -20.2193 -56.8198 -20.6626 -56.8818 0.66286 TIMING: 4827400 CPU: 13976.7, 0.00290085/step Wall: 13976.7, 0.00290085/step, 0.139079 hours remaining, 212.882812 MB of memory in use. ENERGY: 4827400 754.5842 2113.8412 1937.2829 108.8745 -206211.7185 17932.2649 0.0000 0.0000 34283.3117 -149081.5590 299.4047 -183364.8707 -148989.4383 299.6774 14.1079 45.3565 557248.1289 0.4812 0.4234 PRESSURE: 4827600 -111.337 2.90749 61.922 2.9073 -267.013 22.8218 61.9227 22.8201 -74.3344 GPRESSURE: 4827600 -95.0442 -79.7026 21.0318 48.9852 -203.541 18.1504 38.2319 109.668 -55.3153 PRESSAVG: 4827600 -20.1089 -31.5139 -57.2707 -31.5139 -46.5771 -46.4163 -57.2706 -46.4164 47.2982 GPRESSAVG: 4827600 -20.7464 -28.3405 -56.6683 -33.9063 -47.0298 -47.8908 -56.8285 -45.5882 48.2353 TIMING: 4827600 CPU: 13977.3, 0.00291356/step Wall: 13977.3, 0.00291356/step, 0.139527 hours remaining, 212.882812 MB of memory in use. ENERGY: 4827600 783.6028 2071.1543 1945.9725 110.8095 -205912.5002 17627.2171 0.0000 0.0000 34363.8686 -149009.8756 300.1082 -183373.7441 -148916.0488 300.1869 -150.8951 -117.9667 557617.9372 -6.4626 -6.5136 PRESSURE: 4827800 -61.3392 -211.071 79.5316 -211.072 -300.69 72.3482 79.5313 72.3491 -216.278 GPRESSURE: 4827800 -22.9484 -156.419 87.2047 -177.688 -268.054 111.063 84.9308 32.4235 -194.022 PRESSAVG: 4827800 55.2578 -13.7995 -20.2052 -13.7996 -63.3732 -53.975 -20.2051 -53.9749 -18.8046 GPRESSAVG: 4827800 53.368 -16.3848 -22.4146 -10.5942 -62.309 -51.8397 -18.988 -55.0729 -18.4193 TIMING: 4827800 CPU: 13977.8, 0.00290703/step Wall: 13977.8, 0.00290703/step, 0.139053 hours remaining, 212.882812 MB of memory in use. ENERGY: 4827800 729.8115 2136.5957 1955.0259 117.8473 -205445.8568 17389.5872 0.0000 0.0000 34316.4020 -148800.5873 299.6937 -183116.9893 -148703.3460 300.3524 -192.7689 -161.6748 558723.0514 -8.9734 -9.1201 PRESSURE: 4828000 338.475 -0.784879 150.818 -0.785005 -5.10976 49.5828 150.819 49.5817 90.7355 GPRESSURE: 4828000 399.938 -76.2999 176.906 -16.4437 28.659 53.2151 76.5097 74.6649 103.463 PRESSAVG: 4828000 61.0331 21.1489 -22.4496 21.1489 -19.5508 25.547 -22.4496 25.547 -52.6944 GPRESSAVG: 4828000 62.3813 18.6213 -20.9468 20.1735 -19.7062 23.5687 -22.4053 24.818 -54.1314 TIMING: 4828000 CPU: 13978.4, 0.0029228/step Wall: 13978.4, 0.0029228/step, 0.139645 hours remaining, 212.882812 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: 4828000 725.6162 2145.1432 1929.5958 105.2420 -206281.9345 18011.6041 0.0000 0.0000 34392.3001 -148972.4331 300.3565 -183364.7333 -148879.9222 300.9295 141.3670 177.3533 557047.4706 -3.7374 -3.8188 PRESSURE: 4828200 60.9636 -129.226 -5.59964 -129.226 56.6369 -102.813 -5.59908 -102.816 -15.8287 GPRESSURE: 4828200 63.8496 -99.6323 -55.4072 -65.5638 96.9747 -133.129 70.2418 -87.0852 32.8753 PRESSAVG: 4828200 45.6531 -57.0834 -45.9886 -57.0835 -2.61404 -18.0163 -45.9886 -18.0163 -20.6685 GPRESSAVG: 4828200 46.6311 -54.4768 -46.5592 -58.4121 -4.39871 -18.3354 -46.6812 -16.5341 -19.7601 TIMING: 4828200 CPU: 13979, 0.00290186/step Wall: 13979, 0.00290186/step, 0.138483 hours remaining, 212.882812 MB of memory in use. ENERGY: 4828200 724.3421 2100.2120 1991.8723 128.2891 -206031.3508 17752.5660 0.0000 0.0000 34403.2095 -148930.8598 300.4518 -183334.0693 -148833.9543 299.7697 33.9239 64.5666 557325.6516 7.4569 7.4908 LDB: ============= START OF LOAD BALANCING ============== 13982.4 LDB: ============== END OF LOAD BALANCING =============== 13982.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13982.4 LDB: ============= START OF LOAD BALANCING ============== 13982.7 LDB: Largest compute 4773 load 0.028500 is 24.2% of average load 0.117992 LDB: Average compute 0.001739 is 1.5% of average load 0.117992 LDB: TIME 13982.7 LOAD: AVG 0.117992 MAX 0.179317 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.816 MB LDB: TIME 13982.7 LOAD: AVG 0.117992 MAX 0.179317 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.887 MB LDB: TIME 13982.7 LOAD: AVG 0.117992 MAX 0.179317 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13982.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13982.7 PRESSURE: 4828400 -189.226 92.6839 -2.49134 92.6825 88.0362 -1.77954 -2.49114 -1.77877 -24.134 GPRESSURE: 4828400 -128.218 17.9225 50.8227 179.917 97.5192 16.1563 -12.6897 -112.598 -2.11238 PRESSAVG: 4828400 41.0594 -39.0958 36.7744 -39.0958 -13.0681 -16.8277 36.7744 -16.8277 27.9673 GPRESSAVG: 4828400 40.0075 -39.7012 35.3361 -37.4968 -11.6188 -13.4293 38.7704 -20.2111 27.7214 TIMING: 4828400 CPU: 13979.6, 0.00295419/step Wall: 13979.6, 0.00295419/step, 0.140816 hours remaining, 212.164062 MB of memory in use. ENERGY: 4828400 737.0501 2144.3414 1949.9375 131.1602 -205856.2784 17563.9323 0.0000 0.0000 34440.4904 -148889.3665 300.7774 -183329.8569 -148787.6818 300.4445 -41.7745 -10.9372 558544.3518 18.6529 18.7034 PRESSURE: 4828600 -270.238 -5.83948 82.6388 -5.84026 143.712 32.7768 82.6399 32.7759 -276.495 GPRESSURE: 4828600 -234.227 38.3071 81.4385 -7.52605 174.12 32.9128 26.6376 57.7108 -243.367 PRESSAVG: 4828600 -59.0969 -34.3283 37.0687 -34.3284 32.8257 6.37679 37.0687 6.3766 -10.5067 GPRESSAVG: 4828600 -58.6147 -34.6372 39.6708 -36.2395 32.8698 6.43102 34.3908 6.52028 -10.8952 TIMING: 4828600 CPU: 13980.2, 0.0028829/step Wall: 13980.2, 0.0028829/step, 0.137258 hours remaining, 212.164062 MB of memory in use. ENERGY: 4828600 798.2955 2094.3534 1960.3861 116.1871 -206313.9117 17777.4782 0.0000 0.0000 34552.6681 -149014.5434 301.7570 -183567.2115 -148916.6439 300.2818 -134.3400 -101.1584 558561.2789 -12.2593 -12.2134 PRESSURE: 4828800 -115.466 11.3199 179.436 11.3207 -163.05 57.317 179.438 57.317 184.582 GPRESSURE: 4828800 -57.881 -7.82216 134.241 -26.4098 -104.39 101.347 149.431 35.1963 158.609 PRESSAVG: 4828800 -3.90357 3.39797 47.7755 3.39794 41.774 -64.8324 47.7755 -64.8325 -16.1082 GPRESSAVG: 4828800 -4.16605 3.90667 47.3045 3.02899 42.0903 -65.8071 49.3643 -62.9351 -16.0312 TIMING: 4828800 CPU: 13980.8, 0.00289391/step Wall: 13980.8, 0.00289391/step, 0.137622 hours remaining, 212.164062 MB of memory in use. ENERGY: 4828800 776.5761 2164.3757 1957.4676 95.2041 -206043.6480 17724.0915 0.0000 0.0000 34340.0551 -148985.8779 299.9002 -183325.9330 -148890.1113 299.9623 -31.3112 -1.2205 557101.5455 7.2541 7.2977 PRESSURE: 4829000 163.244 90.6366 6.11094 90.6377 -141.898 -155.902 6.11187 -155.903 -129.652 GPRESSURE: 4829000 107.613 106.734 -45.4051 154.783 -23.4011 -107.114 39.9357 -189.3 -106.751 PRESSAVG: 4829000 16.7724 4.21 -22.3712 4.20988 54.678 -9.50108 -22.3711 -9.50098 -21.8369 GPRESSAVG: 4829000 17.0278 3.54832 -22.1369 6.80033 54.5999 -9.90188 -25.2439 -8.46512 -22.2394 TIMING: 4829000 CPU: 13981.3, 0.00292065/step Wall: 13981.3, 0.00292065/step, 0.138731 hours remaining, 212.164062 MB of memory in use. ENERGY: 4829000 757.8061 2091.6731 1958.7850 124.6135 -206158.2625 17677.4302 0.0000 0.0000 34447.1650 -149100.7897 300.8357 -183547.9547 -149001.4669 299.7101 -36.1019 -7.5132 555435.0794 16.5378 16.4628 PRESSURE: 4829200 -45.7834 105.826 31.4406 105.825 -6.8298 199.447 31.4398 199.445 205.145 GPRESSURE: 4829200 -46.5601 138.73 7.56371 161.22 91.6504 241.058 154.632 176.331 206.923 PRESSAVG: 4829200 -1.56452 -11.5385 12.0163 -11.5384 -3.99854 47.7227 12.0163 47.7227 -5.29613 GPRESSAVG: 4829200 -0.742494 -10.3882 12.8288 -13.9839 -4.80287 50.0126 11.676 45.6486 -3.97689 TIMING: 4829200 CPU: 13981.9, 0.00293545/step Wall: 13981.9, 0.00293545/step, 0.139271 hours remaining, 212.164062 MB of memory in use. ENERGY: 4829200 743.9274 2118.4319 1970.4811 121.7651 -206408.5751 17984.7025 0.0000 0.0000 34458.7913 -149010.4759 300.9372 -183469.2672 -148900.3268 299.8080 50.8439 84.0043 556763.0973 -3.6197 -3.1741 PRESSURE: 4829400 11.4845 -96.3597 88.0878 -96.3608 -219.401 -22.2672 88.087 -22.2677 13.5451 GPRESSURE: 4829400 68.4009 -210.48 103.044 -79.9057 -144.289 -1.30971 138.866 -87.3479 -25.0803 PRESSAVG: 4829400 -12.8383 -4.23727 43.7832 -4.23727 5.71084 -23.431 43.7831 -23.431 57.6353 GPRESSAVG: 4829400 -12.2615 -3.98926 43.3361 -5.60124 6.0933 -24.3683 45.5964 -23.2731 56.7439 TIMING: 4829400 CPU: 13982.5, 0.00292977/step Wall: 13982.5, 0.00292977/step, 0.138839 hours remaining, 212.164062 MB of memory in use. ENERGY: 4829400 757.5129 2119.7610 1936.6457 114.7336 -206504.4382 17904.1289 0.0000 0.0000 34481.6750 -149189.9812 301.1370 -183671.6562 -149097.2156 299.3352 -64.7903 -33.6560 556449.8580 16.8360 16.8586 PRESSURE: 4829600 -192.939 45.7384 90.9763 45.7382 172.587 64.7218 90.9769 64.7205 97.4508 GPRESSURE: 4829600 -87.5607 69.222 125.391 15.9977 166.209 113.759 48.4952 44.1816 94.8 PRESSAVG: 4829600 5.87594 -4.43282 46.622 -4.43278 -25.2252 -49.5069 46.622 -49.507 5.60852 GPRESSAVG: 4829600 5.13694 -5.84042 45.6297 -3.52515 -25.1692 -51.6644 47.1478 -48.5574 6.02016 TIMING: 4829600 CPU: 13983.1, 0.00291215/step Wall: 13983.1, 0.00291215/step, 0.137842 hours remaining, 212.164062 MB of memory in use. ENERGY: 4829600 730.5970 2168.8269 1935.9364 98.5178 -206234.4675 17930.7731 0.0000 0.0000 34087.0267 -149282.7896 297.6905 -183369.8163 -149188.9326 299.7486 25.6997 57.8162 557260.9337 -4.5802 -4.6707 PRESSURE: 4829800 31.0645 -138.139 -38.4995 -138.138 103.865 -138.716 -38.4997 -138.716 151.999 GPRESSURE: 4829800 81.0448 -65.8822 -43.8008 -54.5841 116.678 -55.3264 -110.34 -170.305 176.891 PRESSAVG: 4829800 -22.1162 -36.7531 -11.3023 -36.7529 23.6294 3.52754 -11.3023 3.52753 33.1811 GPRESSAVG: 4829800 -21.4888 -37.9579 -11.0197 -34.5755 24.4362 4.71976 -13.2905 3.50185 31.9483 TIMING: 4829800 CPU: 13983.7, 0.00295803/step Wall: 13983.7, 0.00295803/step, 0.139849 hours remaining, 212.164062 MB of memory in use. ENERGY: 4829800 724.5090 2131.2991 1923.9081 112.8896 -206615.0401 18119.2557 0.0000 0.0000 34244.8319 -149358.3467 299.0686 -183603.1787 -149257.1406 298.7335 95.6427 124.8710 556748.5769 11.5648 11.6319 PRESSURE: 4830000 -29.784 -22.4518 -16.6238 -22.4532 231.891 -18.7892 -16.6243 -18.7882 207.493 GPRESSURE: 4830000 -24.8946 -48.0211 34.4422 -112.773 264.214 -58.0328 -5.83122 13.7055 260.903 PRESSAVG: 4830000 25.6013 -27.0436 23.838 -27.0436 33.9317 -16.7232 23.8381 -16.7231 -42.8728 GPRESSAVG: 4830000 25.3434 -27.9727 23.9259 -28.6841 31.843 -18.6894 25.5187 -16.7624 -41.184 TIMING: 4830000 CPU: 13984.3, 0.00293382/step Wall: 13984.3, 0.00293382/step, 0.138541 hours remaining, 212.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4830000 755.3428 2128.8911 1952.8637 116.1713 -206301.3373 17932.7998 0.0000 0.0000 34059.6639 -149355.6047 297.4515 -183415.2686 -149264.3238 298.8059 136.5333 166.7409 557518.0883 5.5534 5.3341 PRESSURE: 4830200 -341.908 58.9191 185.036 58.9203 -166.669 -97.2204 185.036 -97.2209 -167.015 GPRESSURE: 4830200 -312.193 6.45928 179.014 64.5324 -95.2835 -147.436 142.193 -132.647 -170.833 PRESSAVG: 4830200 19.759 -39.6976 20.3704 -39.6975 -17.4995 -11.0401 20.3704 -11.0401 -14.0048 GPRESSAVG: 4830200 17.2617 -39.0271 22.3294 -38.1784 -15.132 -9.73829 19.7449 -10.6769 -13.6699 TIMING: 4830200 CPU: 13984.9, 0.00290655/step Wall: 13984.9, 0.00290655/step, 0.137092 hours remaining, 212.164062 MB of memory in use. ENERGY: 4830200 742.2364 2163.2313 1958.9012 113.2360 -205946.4841 17375.4726 0.0000 0.0000 34280.2855 -149313.1211 299.3783 -183593.4067 -149218.7899 299.5711 -225.1972 -192.7699 558463.2446 -3.9151 -3.8467 PRESSURE: 4830400 -76.4332 -13.4726 239.911 -13.4728 323.234 -116.27 239.91 -116.269 8.62399 GPRESSURE: 4830400 -18.2256 -121.581 205.652 12.9152 363.797 -84.8906 118.604 -123.496 13.6573 PRESSAVG: 4830400 -3.18454 -9.88774 16.9767 -9.88777 91.0846 -19.95 16.9767 -19.9501 -43.5815 GPRESSAVG: 4830400 0.00109153 -8.89196 14.8424 -11.1168 89.7014 -18.2976 17.736 -20.7468 -45.2303 TIMING: 4830400 CPU: 13985.4, 0.00292636/step Wall: 13985.4, 0.00292636/step, 0.137864 hours remaining, 212.164062 MB of memory in use. ENERGY: 4830400 734.6651 2142.6689 1917.2993 110.3186 -206542.1697 18051.7903 0.0000 0.0000 34173.1787 -149412.2488 298.4429 -183585.4275 -149313.7370 299.4679 85.1417 119.7430 556543.9922 14.7729 14.8241 PRESSURE: 4830600 -32.7995 -168.811 -84.7222 -168.812 -64.8493 -4.1469 -84.7223 -4.14763 57.3692 GPRESSURE: 4830600 -9.45008 -147.992 -43.5508 -146.039 -10.6695 -40.4702 -141.833 36.3818 82.185 PRESSAVG: 4830600 -38.8461 1.54483 16.952 1.54493 12.1099 7.91321 16.952 7.91321 -6.86551 GPRESSAVG: 4830600 -39.5953 2.62316 17.2344 0.944154 12.2003 4.94503 14.9352 9.94346 -5.73998 TIMING: 4830600 CPU: 13986, 0.00291904/step Wall: 13986, 0.00291904/step, 0.137357 hours remaining, 212.164062 MB of memory in use. ENERGY: 4830600 725.8754 2094.3267 1965.4410 110.4252 -206420.4935 17793.7416 0.0000 0.0000 34504.2769 -149226.4067 301.3344 -183730.6836 -149125.8510 299.0920 -13.4265 20.6885 556444.0221 -11.2006 -11.0450 PRESSURE: 4830800 -183.878 -23.4024 -105.482 -23.4023 -18.0044 24.4917 -105.481 24.4944 31.5475 GPRESSURE: 4830800 -132 35.6978 -150.641 31.9873 19.483 8.79437 -39.3475 103.402 42.5533 PRESSAVG: 4830800 -7.90616 11.9888 27.036 11.9887 -18.9787 -1.23292 27.0361 -1.23298 19.6004 GPRESSAVG: 4830800 -7.58431 11.2024 28.4908 11.85 -18.8249 0.718698 27.8229 -2.41929 19.5188 TIMING: 4830800 CPU: 13986.6, 0.00289269/step Wall: 13986.6, 0.00289269/step, 0.135956 hours remaining, 212.164062 MB of memory in use. ENERGY: 4830800 785.9958 2177.2125 1927.2643 112.7537 -206427.1765 17876.6996 0.0000 0.0000 34229.1221 -149318.1284 298.9314 -183547.2505 -149223.0044 298.6954 -56.7783 -23.3213 556966.5340 -2.4282 -2.2968 PRESSURE: 4831000 23.5695 135.385 140.381 135.384 -131.414 128.9 140.381 128.9 -249.935 GPRESSURE: 4831000 16.6265 36.1041 200.391 127.549 -106.344 205.299 124.457 90.0086 -195.514 PRESSAVG: 4831000 49.6158 -14.3548 -3.0162 -14.3548 -63.8291 6.15124 -3.01622 6.15109 30.3777 GPRESSAVG: 4831000 48.8782 -15.643 -4.21 -11.3667 -64.4531 7.15879 -0.731631 6.78907 31.276 TIMING: 4831000 CPU: 13987.2, 0.00288226/step Wall: 13987.2, 0.00288226/step, 0.135306 hours remaining, 212.164062 MB of memory in use. ENERGY: 4831000 760.3933 2113.5354 1921.9513 115.8500 -206213.6998 17647.7404 0.0000 0.0000 34620.9590 -149033.2704 302.3534 -183654.2294 -148934.5931 299.3760 -119.2599 -95.0771 558274.7836 5.3881 5.2337 PRESSURE: 4831200 -146.379 43.884 61.4769 43.883 -126.524 -9.33754 61.4748 -9.33835 -29.1648 GPRESSURE: 4831200 -112.961 20.1408 19.3822 55.8183 -87.3764 -90.8382 120.861 131.629 -7.69906 PRESSAVG: 4831200 25.7889 30.4406 12.9395 30.4405 46.6804 23.7026 12.9395 23.7026 -38.3589 GPRESSAVG: 4831200 26.8744 30.1338 14.4863 27.7266 46.2982 23.6806 10.0159 24.0551 -38.9239 TIMING: 4831200 CPU: 13987.8, 0.00290668/step Wall: 13987.8, 0.00290668/step, 0.136291 hours remaining, 212.164062 MB of memory in use. ENERGY: 4831200 722.9393 2117.1601 1941.3192 115.0283 -205833.9853 17562.3566 0.0000 0.0000 34314.5357 -149060.6462 299.6774 -183375.1819 -148957.1309 300.0253 -100.6891 -69.3455 557851.6230 11.3701 11.4162 PRESSURE: 4831400 279.11 -85.0499 14.9942 -85.0502 -17.8256 57.1772 14.9943 57.1784 -103.632 GPRESSURE: 4831400 286.215 -76.448 23.5555 -42.9339 21.7371 45.6021 7.79402 69.654 -61.5414 PRESSAVG: 4831400 -22.7065 -46.6996 5.39937 -46.6996 41.0484 17.6331 5.39941 17.633 -20.1758 GPRESSAVG: 4831400 -24.7853 -46.8722 4.3988 -45.5086 42.0829 16.0833 8.0219 16.75 -19.1693 TIMING: 4831400 CPU: 13988.4, 0.00293727/step Wall: 13988.4, 0.00293727/step, 0.137562 hours remaining, 212.164062 MB of memory in use. ENERGY: 4831400 781.2676 2091.3444 1958.4933 119.2587 -206021.1451 17743.2818 0.0000 0.0000 34396.0827 -148931.4165 300.3895 -183327.4993 -148841.1809 299.7897 52.5509 82.1369 557452.1830 -0.6113 -0.6239 PRESSURE: 4831600 134.942 73.0931 -6.85393 73.0917 62.3846 114.6 -6.85333 114.601 129.576 GPRESSURE: 4831600 144.619 -18.1646 -47.8046 56.7655 130.247 84.2758 -20.207 153.988 148.567 PRESSAVG: 4831600 38.4405 10.9916 5.98831 10.9917 2.39964 -79.2223 5.98842 -79.2222 -13.2484 GPRESSAVG: 4831600 40.1314 12.7082 4.98551 9.35924 2.42854 -79.9993 5.37043 -78.1164 -14.2378 TIMING: 4831600 CPU: 13988.9, 0.00293942/step Wall: 13988.9, 0.00293942/step, 0.1375 hours remaining, 212.164062 MB of memory in use. ENERGY: 4831600 745.9161 2137.6744 1941.6570 123.5333 -206004.0582 17944.2762 0.0000 0.0000 34238.8202 -148872.1811 299.0161 -183111.0013 -148777.8240 300.0278 108.9675 141.1444 555982.9938 9.1972 9.4407 PRESSURE: 4831800 -189.633 182.339 120.11 182.339 227.356 33.9903 120.11 33.991 49.8614 GPRESSURE: 4831800 -149.423 182.815 88.1853 277.861 196.97 101.713 150.464 -58.6572 128.301 PRESSAVG: 4831800 27.4158 90.8053 -5.23945 90.8051 41.5167 9.33891 -5.23954 9.33878 -9.47806 GPRESSAVG: 4831800 27.7016 89.5045 -2.70817 92.284 40.9247 10.0004 -5.26132 9.94639 -9.14834 TIMING: 4831800 CPU: 13989.5, 0.00292261/step Wall: 13989.5, 0.00292261/step, 0.136551 hours remaining, 212.164062 MB of memory in use. ENERGY: 4831800 722.1933 2137.5912 1936.6039 113.9592 -206036.6824 17754.8591 0.0000 0.0000 34447.1617 -148924.3141 300.8356 -183371.4757 -148833.6434 300.0226 29.1947 58.6158 556021.1501 19.8181 19.8260 PRESSURE: 4832000 165.93 4.94947 -53.8324 4.94863 74.555 -168.458 -53.8325 -168.457 247.037 GPRESSURE: 4832000 260.115 18.6202 -73.2366 -23.7319 77.8371 -75.581 -36.7262 -179.792 244.301 PRESSAVG: 4832000 -43.4637 -23.876 -4.00055 -23.876 26.0004 -15.0511 -4.00051 -15.051 26.5192 GPRESSAVG: 4832000 -43.1128 -22.8045 -7.05918 -23.6257 26.3354 -14.0129 -3.60858 -16.6762 25.2604 TIMING: 4832000 CPU: 13990.1, 0.00290998/step Wall: 13990.1, 0.00290998/step, 0.135799 hours remaining, 212.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4832000 734.6126 2133.2642 1954.5305 114.1712 -206216.3976 17951.6147 0.0000 0.0000 34470.9213 -148857.2830 301.0431 -183328.2044 -148760.6524 300.5834 162.5072 194.0844 556554.2170 3.0186 2.8276 PRESSURE: 4832200 172.754 -74.4036 39.1585 -74.4025 211.945 31.2507 39.1573 31.2501 33.7089 GPRESSURE: 4832200 221.997 -84.8824 23.633 -94.2666 218.702 -10.6037 87.8642 -28.601 77.4194 PRESSAVG: 4832200 105.228 2.80589 43.6419 2.80589 -21.7526 -27.8044 43.6419 -27.8043 -17.9911 GPRESSAVG: 4832200 102.961 1.76125 43.3276 -0.0051117 -21.0974 -27.1928 45.5655 -27.4114 -15.9611 TIMING: 4832200 CPU: 13990.7, 0.00292993/step Wall: 13990.7, 0.00292993/step, 0.136567 hours remaining, 212.164062 MB of memory in use. ENERGY: 4832200 719.5456 2072.2381 1970.5567 122.6242 -206180.8256 17975.7586 0.0000 0.0000 34465.8704 -148854.2319 300.9990 -183320.1023 -148761.1572 301.8918 139.4695 172.7062 557142.2176 21.8280 21.9674 LDB: ============= START OF LOAD BALANCING ============== 13994.1 LDB: ============== END OF LOAD BALANCING =============== 13994.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13994.1 LDB: ============= START OF LOAD BALANCING ============== 13994.4 LDB: Largest compute 4799 load 0.026239 is 22.2% of average load 0.117972 LDB: Average compute 0.001731 is 1.5% of average load 0.117972 LDB: TIME 13994.4 LOAD: AVG 0.117972 MAX 0.181298 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.48 MB LDB: TIME 13994.4 LOAD: AVG 0.117972 MAX 0.181298 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.48 MB LDB: TIME 13994.4 LOAD: AVG 0.117972 MAX 0.181298 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13994.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13994.4 PRESSURE: 4832400 -33.6916 -107.091 -21.0864 -107.092 -13.3743 36.4318 -21.0865 36.4322 277.087 GPRESSURE: 4832400 -22.1628 -124.57 -13.3849 -72.6335 38.586 -32.6381 -101.988 7.54078 311.509 PRESSAVG: 4832400 -9.98084 -21.2355 -1.90799 -21.2355 2.94204 -31.874 -1.90807 -31.8741 17.7042 GPRESSAVG: 4832400 -7.51291 -21.0835 -1.64398 -20.0702 2.73735 -32.9472 -3.35579 -30.6789 15.6518 TIMING: 4832400 CPU: 13991.3, 0.00299774/step Wall: 13991.3, 0.00299774/step, 0.139562 hours remaining, 212.656250 MB of memory in use. ENERGY: 4832400 727.9690 2111.7848 1958.2345 121.3525 -205835.1020 17744.0866 0.0000 0.0000 34450.1096 -148721.5650 300.8614 -183171.6746 -148623.1069 300.5218 76.6737 109.3107 557062.8041 3.5551 3.6254 PRESSURE: 4832600 -280.112 -0.452298 104.834 -0.453104 88.1312 109.205 104.833 109.205 -17.0956 GPRESSURE: 4832600 -237.478 0.288981 96.3714 -26.6232 114.916 113.729 -10.12 133.441 14.652 PRESSAVG: 4832600 -18.0949 29.7434 38.4568 29.7435 25.548 -38.8455 38.4568 -38.8454 32.7091 GPRESSAVG: 4832600 -19.0713 29.0793 39.2994 30.1572 26.1093 -40.1516 38.6922 -38.0073 32.9277 TIMING: 4832600 CPU: 13991.9, 0.00291007/step Wall: 13991.9, 0.00291007/step, 0.135318 hours remaining, 212.656250 MB of memory in use. ENERGY: 4832600 733.9485 2090.5420 1970.5672 117.6105 -206086.8073 17735.1394 0.0000 0.0000 34643.5180 -148795.4817 302.5505 -183438.9997 -148699.0743 300.6896 -69.6922 -35.9700 557527.8968 13.3874 13.3219 PRESSURE: 4832800 5.57982 143.568 -42.1734 143.569 -86.9762 -73.2166 -42.1733 -73.2157 -120.332 GPRESSURE: 4832800 7.89405 110.734 76.8044 219.283 -51.5624 -73.6126 -117.066 -30.1133 -51.9661 PRESSAVG: 4832800 -12.0693 -43.7567 42.0101 -43.7565 39.2546 47.5684 42.0102 47.5685 -39.9917 GPRESSAVG: 4832800 -12.1345 -44.0757 43.4625 -43.182 37.8327 48.4542 41.5077 47.6649 -38.9512 TIMING: 4832800 CPU: 13992.5, 0.00290104/step Wall: 13992.5, 0.00290104/step, 0.134737 hours remaining, 212.656250 MB of memory in use. ENERGY: 4832800 708.3626 2077.5824 1967.9846 120.7888 -205821.3117 17629.3637 0.0000 0.0000 34588.0022 -148729.2273 302.0656 -183317.2295 -148624.7454 300.5426 -67.2427 -31.8781 559315.5557 -4.2688 -4.4177 PRESSURE: 4833000 -166.67 -133.068 -207.423 -133.068 77.0089 6.10969 -207.424 6.11085 -208.228 GPRESSURE: 4833000 -94.8769 -69.0151 -221.402 -167.939 87.811 64.8755 -113.064 -33.2127 -206.223 PRESSAVG: 4833000 -82.4154 10.3668 -12.2695 10.3668 17.9729 25.0958 -12.2696 25.0958 37.7167 GPRESSAVG: 4833000 -82.169 12.289 -13.1453 8.25943 18.7344 26.7423 -13.6398 23.5188 36.3631 TIMING: 4833000 CPU: 13993, 0.00294386/step Wall: 13993, 0.00294386/step, 0.136563 hours remaining, 212.656250 MB of memory in use. ENERGY: 4833000 762.5269 2131.3435 1965.7851 108.3446 -205875.2979 17583.2588 0.0000 0.0000 34558.7283 -148765.3107 301.8100 -183324.0390 -148670.3448 301.2567 -99.2962 -71.0963 557533.6463 -8.9086 -9.0238 PRESSURE: 4833200 -144.019 2.12229 274.612 2.1229 -108.693 -34.0515 274.613 -34.0507 102.781 GPRESSURE: 4833200 -103.287 30.9393 152.905 -42.5203 -58.1002 -14.5328 197.98 -66.0181 113.029 PRESSAVG: 4833200 -23.4102 -62.275 12.9887 -62.2749 -0.475101 5.98881 12.9888 5.98885 18.3944 GPRESSAVG: 4833200 -24.0748 -61.5135 13.3603 -62.2877 -0.0931781 5.45587 12.4392 7.35949 19.5575 TIMING: 4833200 CPU: 13993.6, 0.00291803/step Wall: 13993.6, 0.00291803/step, 0.135202 hours remaining, 212.656250 MB of memory in use. ENERGY: 4833200 764.1232 2133.8329 1941.1740 117.0047 -205919.4139 17785.6037 0.0000 0.0000 34461.6733 -148716.0021 300.9624 -183177.6754 -148620.6526 301.0767 -49.9771 -16.1193 558946.4101 -1.8303 -1.5368 PRESSURE: 4833400 -307.62 -76.799 166.831 -76.7982 -263.353 -32.2699 166.832 -32.2706 -163.158 GPRESSURE: 4833400 -285.354 9.91029 166.248 -122.644 -189.119 -52.857 213.484 -26.5468 -157.02 PRESSAVG: 4833400 -5.89166 -18.4208 11.8483 -18.4207 35.5114 29.6373 11.8482 29.6373 -33.7385 GPRESSAVG: 4833400 -4.93099 -17.8627 10.3878 -19.6148 35.4415 27.7005 15.1399 28.6074 -35.6741 TIMING: 4833400 CPU: 13994.2, 0.00294988/step Wall: 13994.2, 0.00294988/step, 0.136514 hours remaining, 212.656250 MB of memory in use. ENERGY: 4833400 754.7829 2139.4825 1920.3283 130.7266 -205353.6309 17254.9530 0.0000 0.0000 34303.4620 -148849.8955 299.5807 -183153.3575 -148757.0762 299.6677 -244.7104 -210.4977 558379.2430 -1.3729 -1.7212 PRESSURE: 4833600 -39.5421 38.5025 72.5366 38.5029 -100.059 -240.346 72.536 -240.346 146.417 GPRESSURE: 4833600 20.1696 -12.8348 74.2801 135.296 -91.3473 -241.383 29.8149 -129.482 179.828 PRESSAVG: 4833600 -29.5096 -21.9684 52.223 -21.9684 70.1679 -59.723 52.223 -59.7231 -83.21 GPRESSAVG: 4833600 -29.793 -23.0581 54.7465 -18.8756 70.1171 -59.7564 49.5883 -60.1148 -82.9661 TIMING: 4833600 CPU: 13994.8, 0.00292167/step Wall: 13994.8, 0.00292167/step, 0.135046 hours remaining, 212.656250 MB of memory in use. ENERGY: 4833600 731.3230 2054.3780 1950.5074 121.4723 -205700.7517 17782.4416 0.0000 0.0000 34259.9269 -148800.7024 299.2005 -183060.6294 -148700.3037 300.5284 2.2721 36.2168 559192.6384 -14.1839 -14.2140 PRESSURE: 4833800 -7.89846 122.022 15.3352 122.022 -88.0311 -32.4322 15.3355 -32.4311 -77.7885 GPRESSURE: 4833800 71.9429 149.957 -84.965 139.881 -129.188 -11.5728 -20.1153 17.983 -23.6113 PRESSAVG: 4833800 43.1522 64.7911 -20.0104 64.7911 -6.10306 2.8865 -20.0103 2.88654 1.05195 GPRESSAVG: 4833800 43.3616 65.0427 -21.3057 63.3236 -6.08628 4.57253 -17.7862 2.87437 0.742847 TIMING: 4833800 CPU: 13995.4, 0.0029198/step Wall: 13995.4, 0.0029198/step, 0.134797 hours remaining, 212.656250 MB of memory in use. ENERGY: 4833800 752.1536 2053.7934 1948.2782 107.4661 -206223.7393 17907.8368 0.0000 0.0000 34252.8141 -149201.3971 299.1383 -183454.2111 -149103.0640 300.1246 -57.9060 -26.9521 558244.4976 12.7004 12.6727 PRESSURE: 4834000 -166.951 135.447 132.635 135.446 -392.694 -16.2182 132.635 -16.2177 -321.294 GPRESSURE: 4834000 -176.261 155.543 129.516 55.859 -337.965 -24.7001 104.494 20.2562 -271.513 PRESSAVG: 4834000 -16.0538 53.9446 14.1843 53.9447 -26.4706 0.832374 14.1845 0.832299 31.2489 GPRESSAVG: 4834000 -15.9907 52.0694 15.0328 52.8906 -26.5831 1.25214 11.4006 0.55028 30.8925 TIMING: 4834000 CPU: 13996, 0.00291243/step Wall: 13996, 0.00291243/step, 0.134296 hours remaining, 212.656250 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: 4834000 738.5331 2099.2447 1956.5864 112.3283 -205924.5950 17533.0803 0.0000 0.0000 34188.5376 -149296.2846 298.5770 -183484.8222 -149199.7814 298.7761 -293.6462 -261.9126 558678.9657 -3.7585 -3.8938 PRESSURE: 4834200 -108.994 -51.7761 265.025 -51.7762 206.417 21.9794 265.024 21.9804 130.5 GPRESSURE: 4834200 -72.1115 -47.718 250.645 -104.203 252.894 39.5499 222.851 0.341426 142.622 PRESSAVG: 4834200 -21.0454 18.6214 47.3986 18.6213 -32.8706 -1.38056 47.3986 -1.38069 10.3528 GPRESSAVG: 4834200 -21.1867 20.8594 47.473 18.955 -32.7371 -2.09598 49.6149 -0.356288 9.94377 TIMING: 4834200 CPU: 13996.5, 0.00290311/step Wall: 13996.5, 0.00290311/step, 0.133704 hours remaining, 212.656250 MB of memory in use. ENERGY: 4834200 707.2648 2167.6764 1916.5735 123.4511 -206574.0118 17947.8436 0.0000 0.0000 34448.4016 -149262.8009 300.8465 -183711.2025 -149170.4023 299.5260 75.9744 107.8015 558101.7406 -14.5211 -14.6600 PRESSURE: 4834400 -166.772 43.24 78.1451 43.2417 -16.1297 -126.996 78.1455 -126.996 -72.4125 GPRESSURE: 4834400 -98.99 49.1714 -32.95 54.2387 20.5685 -87.527 139.518 -102.637 -60.6768 PRESSAVG: 4834400 -18.423 35.6362 39.3341 35.6361 17.7408 10.1446 39.3342 10.1446 20.0392 GPRESSAVG: 4834400 -18.958 34.7531 38.1269 36.269 17.0685 9.73984 38.7256 9.72573 21.1481 TIMING: 4834400 CPU: 13997.1, 0.0028939/step Wall: 13997.1, 0.0028939/step, 0.13312 hours remaining, 212.656250 MB of memory in use. ENERGY: 4834400 707.0348 2066.1396 1923.6761 97.7278 -206609.9565 17975.3319 0.0000 0.0000 34314.5142 -149525.5322 299.6772 -183840.0463 -149426.5186 298.8325 -85.1049 -46.3661 558847.8994 6.4523 6.4195 PRESSURE: 4834600 330.262 -12.9724 54.9761 -12.9714 168.289 158.943 54.9767 158.942 118.644 GPRESSURE: 4834600 427.739 -40.572 72.2562 -7.90978 139.349 129.458 53.0038 110.898 144.15 PRESSAVG: 4834600 7.51639 2.19489 27.0045 2.19496 14.3354 17.3387 27.0045 17.3386 -32.4011 GPRESSAVG: 4834600 8.37489 1.79979 27.5195 1.8236 13.5838 17.7831 25.4556 16.0256 -32.5178 TIMING: 4834600 CPU: 13997.7, 0.00288985/step Wall: 13997.7, 0.00288985/step, 0.132772 hours remaining, 212.656250 MB of memory in use. ENERGY: 4834600 701.4415 2164.6459 1927.8144 110.2691 -206441.4519 18080.2898 0.0000 0.0000 33950.6085 -149506.3828 296.4991 -183456.9912 -149412.5165 298.4801 205.7317 237.0794 557565.1119 -3.5165 -3.5197 PRESSURE: 4834800 17.7393 22.5055 -35.5505 22.5053 -88.6228 45.4783 -35.5497 45.4778 21.0779 GPRESSURE: 4834800 54.4126 7.45863 -200.388 82.0748 -22.0394 55.9943 28.4558 13.5643 15.9532 PRESSAVG: 4834800 6.34373 50.5374 -16.2812 50.5375 9.49151 -14.2518 -16.2811 -14.2518 35.9767 GPRESSAVG: 4834800 4.60793 49.7344 -16.7429 52.6825 10.6843 -13.4729 -14.4619 -12.9235 35.9855 TIMING: 4834800 CPU: 13998.3, 0.002887/step Wall: 13998.3, 0.002887/step, 0.132481 hours remaining, 212.656250 MB of memory in use. ENERGY: 4834800 743.7045 2102.0937 1948.8886 104.6775 -206219.7126 17748.9308 0.0000 0.0000 34052.0944 -149519.3232 297.3854 -183571.4176 -149425.9755 298.9735 -16.6019 16.1088 557813.5633 17.2707 17.0926 PRESSURE: 4835000 -252.428 17.0305 130.213 17.0299 -184.167 -59.584 130.213 -59.5836 -68.9396 GPRESSURE: 4835000 -177.058 41.8343 26.0625 -80.654 -163.033 -75.1278 176.024 -11.7473 -65.5977 PRESSAVG: 4835000 -128.526 -14.2096 -4.6858 -14.2097 4.08973 -18.6746 -4.68584 -18.6745 80.1091 GPRESSAVG: 4835000 -125.639 -12.5091 -3.62569 -15.8331 2.49014 -19.8927 -6.19489 -19.4389 79.6607 TIMING: 4835000 CPU: 13998.9, 0.00292265/step Wall: 13998.9, 0.00292265/step, 0.133955 hours remaining, 212.656250 MB of memory in use. ENERGY: 4835000 748.8447 2064.7502 1934.8608 117.5758 -205844.1816 17394.7540 0.0000 0.0000 34142.2713 -149441.1248 298.1729 -183583.3960 -149342.5503 298.3838 -168.5115 -135.2296 557558.6252 -14.7758 -14.4961 PRESSURE: 4835200 82.3116 267.314 -37.4892 267.313 -31.6002 181.026 -37.4899 181.028 154.352 GPRESSURE: 4835200 88.5218 241.783 -121.675 234.674 48.0766 181.856 -58.3435 133.711 170.357 PRESSAVG: 4835200 -39.1308 -30.1815 2.36862 -30.1815 34.0472 13.3771 2.36863 13.3772 27.6239 GPRESSAVG: 4835200 -40.8362 -30.6698 3.65178 -32.139 34.9825 14.1669 2.3677 12.1435 27.7139 TIMING: 4835200 CPU: 13999.4, 0.00287669/step Wall: 13999.4, 0.00287669/step, 0.131688 hours remaining, 212.656250 MB of memory in use. ENERGY: 4835200 732.4374 2139.8488 1940.9530 118.6639 -206491.1297 17990.1359 0.0000 0.0000 34094.8375 -149474.2532 297.7587 -183569.0907 -149382.1708 299.1435 68.3544 102.3184 556847.5004 7.5134 7.2868 PRESSURE: 4835400 14.6931 -96.4886 19.0538 -96.4889 101.024 -93.2722 19.0521 -93.2709 -101.537 GPRESSURE: 4835400 36.7383 -31.2327 46.3251 -151.192 91.0486 -99.9631 -16.4668 -116.122 -11.9637 PRESSAVG: 4835400 -19.415 -8.74062 27.7997 -8.74072 -18.7492 66.2526 27.7997 66.2526 11.4193 GPRESSAVG: 4835400 -18.0644 -8.61601 26.6195 -7.82992 -19.6681 66.4741 28.0209 66.7417 11.7142 TIMING: 4835400 CPU: 14000, 0.00286085/step Wall: 14000, 0.00286085/step, 0.130804 hours remaining, 212.656250 MB of memory in use. ENERGY: 4835400 702.4891 2162.6363 1961.3303 116.7725 -206380.4365 17868.0372 0.0000 0.0000 34092.7045 -149476.4665 297.7401 -183569.1710 -149383.1365 299.2025 4.7266 38.6077 557322.1653 -8.9150 -8.6728 PRESSURE: 4835600 179.15 -60.3843 20.6568 -60.3846 223.234 37.5748 20.6567 37.5748 300.49 GPRESSURE: 4835600 238.129 -58.6978 19.1302 40.0231 230.494 37.8062 -57.5709 -18.611 328.672 PRESSAVG: 4835600 -15.9948 0.43748 -19.0064 0.437451 42.211 62.7781 -19.0064 62.778 -41.6738 GPRESSAVG: 4835600 -16.0759 -0.563596 -19.6324 1.53488 42.1151 62.0635 -18.2123 63.2762 -41.4405 TIMING: 4835600 CPU: 14000.6, 0.00288317/step Wall: 14000.6, 0.00288317/step, 0.131665 hours remaining, 212.656250 MB of memory in use. ENERGY: 4835600 697.5086 2103.5617 1950.6508 105.9366 -206570.1930 18193.9783 0.0000 0.0000 34036.1198 -149482.4370 297.2459 -183518.5569 -149381.7498 299.0096 234.2915 265.7649 557867.9295 -5.1526 -5.1338 PRESSURE: 4835800 69.1927 120.814 -68.9674 120.814 133.668 -87.7771 -68.9683 -87.7767 105.572 GPRESSURE: 4835800 106.739 83.6513 -106.65 64.2742 165.066 -51.1835 -59.9664 -171.028 145.911 PRESSAVG: 4835800 55.3262 -9.58968 -11.8665 -9.58971 29.6326 56.3223 -11.8664 56.3224 -53.9327 GPRESSAVG: 4835800 53.6329 -8.45565 -10.2179 -10.4324 31.3757 58.7253 -12.3383 55.7129 -54.0413 TIMING: 4835800 CPU: 14001.2, 0.00288761/step Wall: 14001.2, 0.00288761/step, 0.131707 hours remaining, 212.656250 MB of memory in use. ENERGY: 4835800 734.7089 2106.5648 1976.5509 108.1691 -206319.1751 17967.3750 0.0000 0.0000 34098.6158 -149327.1905 297.7917 -183425.8063 -149229.7143 298.7315 102.8107 139.2387 557507.0923 10.3420 10.3224 PRESSURE: 4836000 -107.107 10.6301 -207.38 10.6309 -24.5257 -112.371 -207.38 -112.372 -92.2055 GPRESSURE: 4836000 -68.3047 -53.7654 -235.695 61.0776 4.72707 -24.9655 -107.91 -121.256 -61.7621 PRESSAVG: 4836000 48.2982 -47.976 -15.4904 -47.976 -84.5469 48.1861 -15.4904 48.1861 -6.80322 GPRESSAVG: 4836000 48.9257 -48.0274 -16.7744 -47.9024 -85.4345 46.8665 -13.8601 49.784 -6.87813 TIMING: 4836000 CPU: 14001.8, 0.0029385/step Wall: 14001.8, 0.0029385/step, 0.133865 hours remaining, 212.656250 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: 4836000 718.6944 2056.1664 1969.8483 107.2373 -206033.9424 17745.0762 0.0000 0.0000 34195.8603 -149241.0595 298.6410 -183436.9198 -149142.3377 298.5636 -74.6126 -41.7799 558601.3176 -14.3506 -14.4623 PRESSURE: 4836200 -153.779 60.1862 23.3567 60.1862 350.55 4.47456 23.3566 4.47597 13.2072 GPRESSURE: 4836200 -91.9036 87.5355 1.22158 -39.0964 388.14 51.7055 -49.1605 11.9079 14.7989 PRESSAVG: 4836200 36.6408 4.10003 10.1351 4.10011 13.0814 -1.19383 10.1351 -1.19385 -54.3048 GPRESSAVG: 4836200 36.7993 4.26531 11.0753 4.23059 13.6959 -3.10446 8.99645 1.13806 -54.9892 TIMING: 4836200 CPU: 14002.3, 0.00289545/step Wall: 14002.3, 0.00289545/step, 0.131743 hours remaining, 212.656250 MB of memory in use. ENERGY: 4836200 752.9404 2106.4499 1958.3836 115.9016 -206350.3547 17941.4880 0.0000 0.0000 34293.6859 -149181.5052 299.4953 -183475.1911 -149085.3983 299.9984 69.9925 103.6784 556627.1750 -1.5275 -1.4980 LDB: ============= START OF LOAD BALANCING ============== 14005.7 LDB: ============== END OF LOAD BALANCING =============== 14005.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14005.7 LDB: ============= START OF LOAD BALANCING ============== 14006 LDB: Largest compute 4799 load 0.026473 is 22.4% of average load 0.117947 LDB: Average compute 0.001728 is 1.5% of average load 0.117947 LDB: TIME 14006 LOAD: AVG 0.117947 MAX 0.178943 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.512 MB LDB: TIME 14006 LOAD: AVG 0.117947 MAX 0.178943 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: TIME 14006 LOAD: AVG 0.117947 MAX 0.178943 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14006 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14006 PRESSURE: 4836400 178.215 48.6192 -20.2152 48.6185 215.316 -11.9549 -20.2133 -11.9544 -123.6 GPRESSURE: 4836400 253.699 77.2966 -22.3304 58.9649 228.893 54.2174 -69.0192 38.8956 -110.364 PRESSAVG: 4836400 -65.9579 29.9574 -60.2773 29.9575 82.6123 30.2228 -60.2774 30.2229 -62.0315 GPRESSAVG: 4836400 -66.5064 28.1722 -58.2878 29.9033 82.7699 32.0815 -61.2206 26.8601 -62.2756 TIMING: 4836400 CPU: 14002.9, 0.00295122/step Wall: 14002.9, 0.00295122/step, 0.134117 hours remaining, 211.511719 MB of memory in use. ENERGY: 4836400 727.2729 2097.8092 1965.9310 120.1086 -206216.5455 17872.8373 0.0000 0.0000 34381.7832 -149050.8033 300.2647 -183432.5865 -148949.3216 300.3829 89.9770 124.0760 557595.1850 -15.1257 -15.3374 PRESSURE: 4836600 -91.8395 -122.016 84.3491 -122.016 98.5786 28.1169 84.3493 28.1184 62.896 GPRESSURE: 4836600 -67.8274 -109.605 169.157 -47.3845 126.999 -0.648333 59.5341 26.8162 102.89 PRESSAVG: 4836600 30.3954 -21.0956 -40.0417 -21.0956 55.4495 46.8104 -40.0418 46.8105 -7.7139 GPRESSAVG: 4836600 31.1975 -19.2387 -41.4927 -20.939 55.054 46.5332 -39.3578 47.0819 -8.17527 TIMING: 4836600 CPU: 14003.5, 0.00291236/step Wall: 14003.5, 0.00291236/step, 0.132189 hours remaining, 211.714844 MB of memory in use. ENERGY: 4836600 718.6323 2148.1907 1945.8737 119.2827 -206032.7527 17790.0932 0.0000 0.0000 34272.6709 -149038.0091 299.3118 -183310.6799 -148936.8173 300.2697 23.2117 54.0207 557793.1301 26.0437 26.0254 PRESSURE: 4836800 200.278 88.5256 110.652 88.5256 181.447 -160.807 110.653 -160.805 192.051 GPRESSURE: 4836800 220.137 77.9968 82.8178 24.9902 259.531 -165.395 118.636 -105.005 197.392 PRESSAVG: 4836800 28.98 -10.344 -48.3657 -10.344 28.9069 -13.9385 -48.3657 -13.9385 -4.14465 GPRESSAVG: 4836800 28.4599 -10.1062 -47.6427 -11.3625 30.2346 -14.3271 -48.4413 -14.6132 -4.88851 TIMING: 4836800 CPU: 14004.1, 0.00290829/step Wall: 14004.1, 0.00290829/step, 0.131842 hours remaining, 211.714844 MB of memory in use. ENERGY: 4836800 773.6052 2053.3301 1928.7478 126.8868 -205945.8815 17949.4088 0.0000 0.0000 34311.6859 -148802.2167 299.6525 -183113.9026 -148703.8012 299.7331 191.2586 225.6867 555686.8599 17.9141 17.9353 PRESSURE: 4837000 -247.781 -129.125 -17.3332 -129.123 167.265 189.643 -17.3325 189.642 -17.3039 GPRESSURE: 4837000 -249.37 -87.2091 -27.415 -141.218 194.237 223.271 7.35461 127.508 35.6137 PRESSAVG: 4837000 -33.5385 -15.4311 -1.29602 -15.4311 76.3074 -42.2612 -1.296 -42.2611 -23.6536 GPRESSAVG: 4837000 -34.619 -16.7127 -3.06994 -12.6729 75.5959 -42.8077 0.850874 -42.0537 -22.1442 TIMING: 4837000 CPU: 14004.7, 0.00288801/step Wall: 14004.7, 0.00288801/step, 0.130763 hours remaining, 211.714844 MB of memory in use. ENERGY: 4837000 785.2097 2038.2636 1930.7131 114.5607 -206056.0704 17729.5309 0.0000 0.0000 34599.5221 -148858.2704 302.1662 -183457.7925 -148766.4961 299.7143 -32.6067 -6.5062 556642.5000 6.3718 6.2775 PRESSURE: 4837200 375.498 42.1685 20.3159 42.1712 98.5627 -72.0877 20.3164 -72.0878 -206.956 GPRESSURE: 4837200 417.073 61.9844 53.6904 -3.71299 148.559 -43.7931 -88.9504 -155.6 -186.135 PRESSAVG: 4837200 7.4459 48.9456 -34.2258 48.9456 -18.0876 -68.8894 -34.2258 -68.8894 13.2297 GPRESSAVG: 4837200 8.07459 49.8559 -33.3428 45.8439 -18.2266 -66.4713 -34.7281 -69.5513 12.54 TIMING: 4837200 CPU: 14005.2, 0.0029014/step Wall: 14005.2, 0.0029014/step, 0.131208 hours remaining, 211.714844 MB of memory in use. ENERGY: 4837200 741.5778 2103.6342 1945.8902 122.2614 -205868.1016 17715.9632 0.0000 0.0000 34427.9709 -148810.8038 300.6680 -183238.7747 -148718.2957 300.7221 89.0352 126.4990 557976.5935 0.8627 0.7960 PRESSURE: 4837400 -33.8178 -42.1366 -99.3544 -42.1368 -286.528 -18.3933 -99.3543 -18.3911 83.6788 GPRESSURE: 4837400 44.6507 18.6577 -77.0909 -25.9347 -239.041 -13.6158 -110.331 -46.1583 47.3978 PRESSAVG: 4837400 1.85286 38.6882 -30.9511 38.6882 -31.398 -58.0217 -30.9511 -58.0216 15.0567 GPRESSAVG: 4837400 2.20663 38.3614 -29.426 40.195 -32.0151 -57.7883 -32.7232 -56.0203 15.0296 TIMING: 4837400 CPU: 14005.8, 0.00291318/step Wall: 14005.8, 0.00291318/step, 0.131579 hours remaining, 211.714844 MB of memory in use. ENERGY: 4837400 737.4215 2057.3772 1953.3778 105.4985 -205833.5852 17756.2565 0.0000 0.0000 34254.6110 -148969.0427 299.1540 -183223.6537 -148880.6384 300.1237 -78.8891 -48.9976 559576.8600 -4.8295 -4.9263 PRESSURE: 4837600 -51.6544 -130.729 26.7161 -130.729 -17.8327 -25.8652 26.7163 -25.8645 108.791 GPRESSURE: 4837600 -7.48663 -201.03 35.3357 0.197088 17.1655 -30.783 82.6948 -47.6216 115.966 PRESSAVG: 4837600 -3.9357 -2.94763 6.72333 -2.94757 -44.6315 -82.8933 6.72329 -82.8933 90.081 GPRESSAVG: 4837600 -5.22826 -2.35772 5.45897 -2.13953 -43.8642 -84.3152 7.18775 -83.805 91.1115 TIMING: 4837600 CPU: 14006.4, 0.00292843/step Wall: 14006.4, 0.00292843/step, 0.132105 hours remaining, 211.714844 MB of memory in use. ENERGY: 4837600 725.7388 2043.3000 1980.5127 110.7224 -205872.1275 17942.9841 0.0000 0.0000 34220.3605 -148848.5090 298.8549 -183068.8695 -148756.6551 300.8860 13.1014 41.8817 559258.4973 13.8379 14.0063 PRESSURE: 4837800 176.785 -38.199 -98.3571 -38.1993 -168.539 47.9083 -98.3587 47.9068 64.4993 GPRESSURE: 4837800 192.869 -111.904 -69.9992 -50.0624 -96.6452 15.7447 -91.2641 -4.15825 71.4288 PRESSAVG: 4837800 -66.634 -23.3616 35.4108 -23.3615 6.49493 -45.6947 35.4108 -45.6947 77.2313 GPRESSAVG: 4837800 -66.4978 -23.0259 35.8142 -26.1629 6.22302 -45.4126 34.0182 -44.6688 77.772 TIMING: 4837800 CPU: 14007, 0.00289799/step Wall: 14007, 0.00289799/step, 0.13057 hours remaining, 211.714844 MB of memory in use. ENERGY: 4837800 740.5858 2101.0869 1961.4262 114.4889 -206058.3153 17846.7305 0.0000 0.0000 34688.2768 -148605.7202 302.9413 -183293.9971 -148503.8104 300.1420 24.2483 55.8842 559279.4488 5.6974 5.8324 PRESSURE: 4838000 50.45 -62.8491 134.259 -62.8505 -102.695 1.27586 134.26 1.27664 240.697 GPRESSURE: 4838000 106.496 -79.7819 214.309 -31.0266 -70.8582 48.1575 162.899 -10.9913 251.544 PRESSAVG: 4838000 -28.2861 -5.7062 -21.5852 -5.70622 51.4137 -29.7822 -21.5851 -29.7822 3.07207 GPRESSAVG: 4838000 -27.8174 -5.12509 -22.2759 -4.09472 52.3231 -30.2887 -21.0952 -30.4067 1.39503 TIMING: 4838000 CPU: 14007.6, 0.00290845/step Wall: 14007.6, 0.00290845/step, 0.13088 hours remaining, 211.714844 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: 4838000 728.4183 2071.5302 1956.8597 116.6510 -205831.0655 17886.9393 0.0000 0.0000 34487.6466 -148583.0205 301.1892 -183070.6671 -148489.6282 301.3988 62.8175 95.7272 559465.4858 8.7332 8.6336 PRESSURE: 4838200 37.7105 34.5906 -0.00569476 34.5898 -22.1025 -61.3384 -0.0067505 -61.3384 166.328 GPRESSURE: 4838200 45.6601 59.4305 -31.9185 131.484 29.1165 -105.972 -39.1605 -75.3184 187.602 PRESSAVG: 4838200 4.39976 8.64373 3.95127 8.64375 -10.02 17.2592 3.9512 17.2593 -17.6392 GPRESSAVG: 4838200 4.14489 7.91241 3.54247 8.72405 -10.5011 18.4645 4.87991 15.7987 -17.5274 TIMING: 4838200 CPU: 14008.2, 0.00289906/step Wall: 14008.2, 0.00289906/step, 0.130297 hours remaining, 211.714844 MB of memory in use. ENERGY: 4838200 731.0772 2128.3395 1929.2968 113.3904 -205805.8233 17826.8822 0.0000 0.0000 34369.7472 -148707.0900 300.1596 -183076.8372 -148615.3777 300.2367 60.6452 87.4596 558028.6405 -7.7531 -7.9612 PRESSURE: 4838400 -64.219 86.6989 142.411 86.6984 -62.8709 -49.274 142.412 -49.2754 -84.3766 GPRESSURE: 4838400 -40.3815 139.535 143.531 124.699 2.50817 -81.4049 151.542 -64.064 -86.6822 PRESSAVG: 4838400 -6.84975 -1.49697 -29.303 -1.49695 -11.9449 -8.44492 -29.303 -8.44488 3.28787 GPRESSAVG: 4838400 -6.69752 -0.137865 -28.9175 -1.78479 -13.1018 -6.42678 -30.0897 -8.19869 4.3718 TIMING: 4838400 CPU: 14008.7, 0.00292045/step Wall: 14008.7, 0.00292045/step, 0.131096 hours remaining, 211.714844 MB of memory in use. ENERGY: 4838400 746.6229 2120.8488 1908.8177 112.2740 -205853.9786 17758.1008 0.0000 0.0000 34174.3124 -149033.0020 298.4528 -183207.3144 -148942.9501 300.0856 -70.4888 -41.5185 559399.9146 -5.1689 -5.1425 PRESSURE: 4838600 -164.388 8.14824 -28.7318 8.14767 -171.157 -89.8061 -28.7308 -89.8061 -61.0661 GPRESSURE: 4838600 -174.96 48.8984 -68.0283 6.45551 -125.975 -75.1733 -37.3223 -72.9617 4.37918 PRESSAVG: 4838600 -22.0962 26.3211 -26.1667 26.3211 1.75029 -87.7118 -26.1666 -87.7118 48.5801 GPRESSAVG: 4838600 -23.5405 25.4015 -22.975 26.747 2.765 -90.1653 -26.2307 -87.3147 48.5966 TIMING: 4838600 CPU: 14009.3, 0.0029189/step Wall: 14009.3, 0.0029189/step, 0.130864 hours remaining, 211.714844 MB of memory in use. ENERGY: 4838600 758.6942 2077.6028 1963.1885 107.3001 -206013.2558 17758.2978 0.0000 0.0000 34267.5519 -149080.6205 299.2671 -183348.1724 -148980.8047 299.3640 -132.2037 -98.8519 560825.7981 9.4114 9.2737 PRESSURE: 4838800 -49.5837 -75.2545 -154.671 -75.2559 -87.957 72.6907 -154.672 72.6909 -152.994 GPRESSURE: 4838800 -35.1118 -39.1137 -156.659 -93.3508 -11.8648 58.7861 -133.015 79.5577 -156.753 PRESSAVG: 4838800 -88.9646 -27.9423 30.0055 -27.9422 35.4588 -35.4673 30.0055 -35.4674 21.1202 GPRESSAVG: 4838800 -87.7362 -27.9419 26.6852 -29.5717 34.6565 -35.892 30.8153 -34.4546 20.3165 TIMING: 4838800 CPU: 14009.9, 0.00289246/step Wall: 14009.9, 0.00289246/step, 0.129518 hours remaining, 211.714844 MB of memory in use. ENERGY: 4838800 774.6631 2112.7817 1948.5544 109.4629 -206480.5329 17826.7450 0.0000 0.0000 34399.3027 -149309.0230 300.4177 -183708.3257 -149219.3774 299.1328 -96.8448 -67.9099 559175.6248 -10.7952 -10.9211 PRESSURE: 4839000 -300.244 -53.4576 -152.538 -53.4594 -238.789 102.725 -152.539 102.726 -4.19769 GPRESSURE: 4839000 -238.109 -24.2456 -145.253 -83.5798 -246.246 71.3149 -147.681 109.894 33.5406 PRESSAVG: 4839000 -76.4887 -28.0876 39.4786 -28.0875 39.6761 -12.1212 39.4786 -12.1211 -6.08501 GPRESSAVG: 4839000 -75.6022 -29.5843 41.8579 -25.8346 39.2595 -11.98 40.4543 -13.2082 -6.95573 TIMING: 4839000 CPU: 14010.5, 0.00289255/step Wall: 14010.5, 0.00289255/step, 0.129361 hours remaining, 211.714844 MB of memory in use. ENERGY: 4839000 758.4080 2069.8114 1965.9802 125.4175 -206288.1710 17637.7626 0.0000 0.0000 34292.7176 -149438.0737 299.4868 -183730.7913 -149332.5796 299.2895 -181.0770 -150.2715 557480.4512 -14.2992 -14.4328 PRESSURE: 4839200 -131.043 1.19391 13.793 1.1923 -350.178 -2.478 13.7931 -2.47778 -213.234 GPRESSURE: 4839200 -87.8727 36.9754 49.7868 -27.5563 -321.298 12.9389 -38.8058 2.18879 -194.331 PRESSAVG: 4839200 -11.5745 -8.75139 12.2845 -8.75141 33.05 -25.6598 12.2845 -25.6598 8.17783 GPRESSAVG: 4839200 -13.4473 -8.95816 11.2408 -8.86528 33.1336 -25.3153 11.7497 -26.7947 9.73567 TIMING: 4839200 CPU: 14011.1, 0.00288444/step Wall: 14011.1, 0.00288444/step, 0.128838 hours remaining, 211.714844 MB of memory in use. ENERGY: 4839200 752.2495 2061.4827 1949.4942 119.7335 -206021.4123 17546.0873 0.0000 0.0000 34147.4543 -149444.9109 298.2182 -183592.3651 -149350.2111 298.6778 -231.4852 -201.1670 556952.0600 9.8844 9.8073 PRESSURE: 4839400 -275.646 120.081 72.508 120.082 -211.874 6.44693 72.5077 6.44734 -26.6259 GPRESSURE: 4839400 -195.836 101.824 184.462 109.744 -235.353 15.1274 -19.6559 -104.097 8.93617 PRESSAVG: 4839400 1.39596 -4.98551 38.6324 -4.98553 25.0618 -1.73924 38.6325 -1.73921 20.5636 GPRESSAVG: 4839400 2.43132 -2.48599 38.609 -7.13194 25.8558 -2.36663 39.435 -0.521746 19.2038 TIMING: 4839400 CPU: 14011.6, 0.00290451/step Wall: 14011.6, 0.00290451/step, 0.129573 hours remaining, 211.714844 MB of memory in use. ENERGY: 4839400 722.5655 2126.2937 1972.0063 111.8475 -205900.7682 17376.0400 0.0000 0.0000 34235.4482 -149356.5671 298.9867 -183592.0153 -149260.4796 298.8203 -171.3820 -140.7509 557200.8659 15.6738 15.8303 PRESSURE: 4839600 -45.2378 -106.964 -100.119 -106.964 -315.929 -44.4573 -100.12 -44.4573 37.673 GPRESSURE: 4839600 -53.7764 -114.986 -57.2775 -139.106 -244.035 -57.5554 -68.7121 -3.45393 68.9657 PRESSAVG: 4839600 -0.992499 -50.8873 24.6858 -50.8872 17.2102 -20.3147 24.6858 -20.3148 64.9727 GPRESSAVG: 4839600 -1.81413 -53.3212 24.6035 -49.4746 16.5348 -19.4478 25.54 -19.0823 66.4619 TIMING: 4839600 CPU: 14012.2, 0.00293045/step Wall: 14012.2, 0.00293045/step, 0.130568 hours remaining, 211.714844 MB of memory in use. ENERGY: 4839600 805.1814 2058.4647 1953.5480 118.3911 -206045.0606 17597.0124 0.0000 0.0000 34311.7647 -149200.6983 299.6532 -183512.4630 -149097.8542 299.4537 -107.8312 -76.2818 557048.0154 27.0635 27.0608 PRESSURE: 4839800 -5.7346 144.343 142.09 144.342 167.184 -99.015 142.09 -99.0158 -154.796 GPRESSURE: 4839800 35.9499 73.7922 193.239 244.389 165.733 -28.4919 124.642 -161.064 -89.1501 PRESSAVG: 4839800 -26.8004 -10.8162 16.1149 -10.8161 3.88021 -29.4693 16.1149 -29.4694 28.2672 GPRESSAVG: 4839800 -26.3416 -9.40642 16.162 -11.4289 3.72585 -30.118 16.1331 -31.3305 27.7388 TIMING: 4839800 CPU: 14012.8, 0.0029077/step Wall: 14012.8, 0.0029077/step, 0.129393 hours remaining, 211.714844 MB of memory in use. ENERGY: 4839800 762.2726 2085.3336 1958.0777 111.0014 -206510.7510 17866.2926 0.0000 0.0000 34487.3318 -149240.4413 301.1864 -183727.7731 -149147.8631 300.3520 2.2176 37.5108 556923.3339 1.7823 1.7077 PRESSURE: 4840000 -292.57 18.2922 100.072 18.292 -407.324 12.7083 100.072 12.7085 47.3325 GPRESSURE: 4840000 -260.957 66.4229 62.0822 118.506 -296.776 -3.55871 138.04 7.8178 2.72612 PRESSAVG: 4840000 -37.2479 -58.1956 15.5423 -58.1956 -24.9923 -18.6161 15.5423 -18.6161 11.3099 GPRESSAVG: 4840000 -38.1942 -58.4263 17.6421 -58.3658 -24.194 -20.1971 13.9893 -17.103 11.0046 TIMING: 4840000 CPU: 14013.4, 0.00290103/step Wall: 14013.4, 0.00290103/step, 0.128935 hours remaining, 211.714844 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: 4840000 764.0693 2156.0928 1960.1833 117.3015 -205935.7655 17501.6165 0.0000 0.0000 34239.1097 -149197.3923 299.0187 -183436.5020 -149106.8248 299.6487 -217.5205 -185.0023 557644.3166 -16.9767 -17.1279 PRESSURE: 4840200 -274.888 -41.113 -76.7651 -41.1137 1.21628 117.473 -76.7631 117.473 -195.505 GPRESSURE: 4840200 -255.109 18.8617 -41.2484 -96.945 16.2538 127.017 -178.451 22.1205 -142.147 PRESSAVG: 4840200 -45.8267 -17.5605 -26.1932 -17.5605 26.5081 39.181 -26.1932 39.181 29.8584 GPRESSAVG: 4840200 -44.5616 -18.082 -27.8758 -18.0587 27.1493 40.6261 -27.6282 38.4659 27.9682 TIMING: 4840200 CPU: 14014, 0.00290656/step Wall: 14014, 0.00290656/step, 0.129019 hours remaining, 211.714844 MB of memory in use. ENERGY: 4840200 755.9722 2161.3742 1931.1635 121.6129 -206168.4570 17628.3586 0.0000 0.0000 34216.4360 -149353.5395 298.8206 -183569.9755 -149258.9407 299.1493 -156.3923 -127.0008 555247.4389 3.5133 3.5186 LDB: ============= START OF LOAD BALANCING ============== 14017.4 LDB: ============== END OF LOAD BALANCING =============== 14017.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14017.4 LDB: ============= START OF LOAD BALANCING ============== 14017.6 LDB: Largest compute 4799 load 0.029860 is 25.3% of average load 0.118108 LDB: Average compute 0.001731 is 1.5% of average load 0.118108 LDB: TIME 14017.6 LOAD: AVG 0.118108 MAX 0.179345 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.793 MB LDB: TIME 14017.6 LOAD: AVG 0.118108 MAX 0.179345 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.863 MB LDB: TIME 14017.6 LOAD: AVG 0.118108 MAX 0.179345 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14017.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14017.7 PRESSURE: 4840400 -78.2725 104.633 -145.105 104.632 -35.475 -176.624 -145.105 -176.624 336.644 GPRESSURE: 4840400 15.9393 88.6744 -132.225 103.663 -47.6505 -185.685 -72.0018 -223.539 349.496 PRESSAVG: 4840400 -7.5987 -21.5917 -49.05 -21.5917 51.12 -48.055 -49.0501 -48.0551 -32.1582 GPRESSAVG: 4840400 -8.0181 -25.0048 -48.79 -17.9238 50.3738 -46.7668 -48.1963 -49.1874 -30.3587 TIMING: 4840400 CPU: 14014.6, 0.00294987/step Wall: 14014.6, 0.00294987/step, 0.130777 hours remaining, 213.562500 MB of memory in use. ENERGY: 4840400 734.5740 2052.7199 1921.6182 121.9851 -206281.7249 17727.2466 0.0000 0.0000 34136.6454 -149586.9358 298.1238 -183723.5812 -149505.1015 299.0109 74.2989 105.9282 555055.2930 3.7877 3.9990 PRESSURE: 4840600 138.425 201.978 -273.303 201.978 -137.202 89.7169 -273.304 89.7166 29.0883 GPRESSURE: 4840600 197.014 57.096 -170.127 206.132 -95.8152 86.6228 -325.566 147.058 27.8342 PRESSAVG: 4840600 8.6532 38.5062 -55.3471 38.5062 -31.7978 -22.7695 -55.3471 -22.7694 -5.24571 GPRESSAVG: 4840600 8.79251 41.1002 -55.2794 34.7784 -32.4583 -26.309 -55.5376 -21.8089 -4.87156 TIMING: 4840600 CPU: 14015.1, 0.00291979/step Wall: 14015.1, 0.00291979/step, 0.129282 hours remaining, 213.765625 MB of memory in use. ENERGY: 4840600 749.6039 2084.3614 1912.7530 115.2209 -206462.0491 17899.0970 0.0000 0.0000 34151.5822 -149549.4307 298.2543 -183701.0129 -149451.0652 297.9118 10.1036 43.0111 556487.8223 -9.4634 -9.5124 PRESSURE: 4840800 216.286 152.833 43.9459 152.833 566.814 1.8062 43.9463 1.80726 107.362 GPRESSURE: 4840800 247.533 183.113 97.54 156.266 623.845 -59.8409 4.38599 -63.8935 125.227 PRESSAVG: 4840800 9.20914 22.6054 -21.831 22.6054 11.9345 -54.8444 -21.8309 -54.8444 -26.9449 GPRESSAVG: 4840800 8.07035 24.4966 -22.1656 22.4029 14.1955 -53.881 -21.1686 -56.1567 -27.8454 TIMING: 4840800 CPU: 14015.7, 0.00289223/step Wall: 14015.7, 0.00289223/step, 0.127901 hours remaining, 213.765625 MB of memory in use. ENERGY: 4840800 733.4734 2083.9403 1959.0917 112.9236 -206801.7313 18312.6668 0.0000 0.0000 34065.2126 -149534.4228 297.5000 -183599.6355 -149441.5370 298.6318 296.8207 332.2015 555280.6140 -1.9337 -1.8599 PRESSURE: 4841000 -177.556 47.6795 37.7468 47.6795 -184.242 -75.6181 37.7468 -75.6182 -378.743 GPRESSURE: 4841000 -124.768 147.325 27.497 6.46103 -139.044 -16.2484 34.8754 -102.395 -372.576 PRESSAVG: 4841000 -30.915 -21.7684 9.92344 -21.7685 31.8862 -33.6521 9.92354 -33.6521 12.2231 GPRESSAVG: 4841000 -29.6567 -22.9099 8.55476 -20.2629 31.5079 -35.828 10.1156 -32.0008 11.7182 TIMING: 4841000 CPU: 14016.3, 0.00290395/step Wall: 14016.3, 0.00290395/step, 0.128258 hours remaining, 213.765625 MB of memory in use. ENERGY: 4841000 734.9311 2087.5843 1937.2339 110.8997 -205949.4494 17632.3030 0.0000 0.0000 34255.8092 -149190.6883 299.1645 -183446.4975 -149084.4218 298.5808 -246.8467 -212.1293 558314.7199 4.3981 4.5232 PRESSURE: 4841200 -200.665 -80.8262 200.552 -80.8268 -62.6021 144.782 200.551 144.781 -186.264 GPRESSURE: 4841200 -225.631 -72.0299 173.636 -30.6663 12.7042 45.8344 189.696 112.413 -157.752 PRESSAVG: 4841200 -95.4594 -2.29134 -15.4716 -2.29135 32.8178 -36.6967 -15.4716 -36.6966 64.6364 GPRESSAVG: 4841200 -95.5423 -2.82331 -16.722 -4.12842 31.2353 -34.3157 -14.2138 -36.3479 66.3543 TIMING: 4841200 CPU: 14016.9, 0.0029024/step Wall: 14016.9, 0.0029024/step, 0.128028 hours remaining, 213.765625 MB of memory in use. ENERGY: 4841200 714.3454 2056.2707 1942.3717 111.6891 -205953.5362 17604.0206 0.0000 0.0000 34421.7012 -149103.1374 300.6133 -183524.8386 -149007.2340 299.4342 -149.8438 -123.5597 557569.2990 0.6649 0.6824 PRESSURE: 4841400 -293.063 14.2148 -33.2433 14.214 -91.6222 -65.9962 -33.2426 -65.9962 118.588 GPRESSURE: 4841400 -250.625 133.59 -37.5332 -14.2967 -65.9079 3.91691 33.8029 -128.166 144.012 PRESSAVG: 4841400 -91.2456 18.8044 60.2875 18.8044 25.607 26.55 60.2874 26.55 88.5561 GPRESSAVG: 4841400 -91.0427 18.7406 61.955 19.3934 24.8249 27.2145 59.8975 25.5151 88.6451 TIMING: 4841400 CPU: 14017.5, 0.00290979/step Wall: 14017.5, 0.00290979/step, 0.128192 hours remaining, 213.765625 MB of memory in use. ENERGY: 4841400 767.5667 2048.4932 1933.5969 107.1094 -205989.7273 17772.7067 0.0000 0.0000 34289.6660 -149070.5883 299.4602 -183360.2543 -148982.8425 299.7729 -88.6991 -57.5068 557244.2067 7.6392 7.4758 PRESSURE: 4841600 -234.885 36.3366 74.3186 36.3373 -91.1331 -72.2203 74.3185 -72.2213 134.399 GPRESSURE: 4841600 -200.661 28.7002 -20.401 -53.1458 -90.1008 -131.73 29.6748 -17.4025 196.153 PRESSAVG: 4841600 -52.8418 11.5071 0.888363 11.5072 69.9223 -50.4347 0.88839 -50.4348 -26.4247 GPRESSAVG: 4841600 -53.3158 12.5651 1.54165 10.9183 71.5273 -51.1703 1.05578 -50.1577 -27.4744 TIMING: 4841600 CPU: 14018, 0.00289893/step Wall: 14018, 0.00289893/step, 0.127553 hours remaining, 213.765625 MB of memory in use. ENERGY: 4841600 771.0001 2063.6236 1948.6825 122.6242 -206382.0821 17796.1527 0.0000 0.0000 34615.8042 -149064.1949 302.3084 -183679.9991 -148965.9672 299.9234 -63.8729 -31.5361 558863.8677 -3.1147 -3.0876 PRESSURE: 4841800 -326.05 -65.0716 -11.1803 -65.0691 -270.635 -26.5458 -11.1802 -26.5454 -151.448 GPRESSURE: 4841800 -279.622 5.37038 -9.66101 -32.126 -244.984 29.3481 -53.8696 -23.285 -124.654 PRESSAVG: 4841800 35.4722 10.5819 45.2854 10.5819 -47.0546 23.3628 45.2854 23.3628 33.966 GPRESSAVG: 4841800 35.7065 10.3223 43.4668 11.8493 -47.3026 23.8025 44.5534 23.993 33.9475 TIMING: 4841800 CPU: 14018.6, 0.00288179/step Wall: 14018.6, 0.00288179/step, 0.126639 hours remaining, 213.765625 MB of memory in use. ENERGY: 4841800 774.6674 2088.3190 1971.0331 94.4719 -205792.4020 17600.3459 0.0000 0.0000 33999.3245 -149264.2402 296.9246 -183263.5646 -149171.6247 299.6593 -249.3778 -216.4200 559133.2613 7.4612 7.4505 PRESSURE: 4842000 -64.6044 39.0734 58.8036 39.074 -173.072 -76.1166 58.8039 -76.1172 -174.537 GPRESSURE: 4842000 9.59101 10.8175 -7.1271 30.1233 -201.233 -109.642 165.214 -9.32741 -126.861 PRESSAVG: 4842000 -85.2703 12.9197 21.3683 12.9198 38.5725 -5.9336 21.3683 -5.9337 21.5492 GPRESSAVG: 4842000 -85.3897 12.6068 21.9405 14.0049 38.6283 -6.18247 22.4723 -7.40561 21.6035 TIMING: 4842000 CPU: 14019.2, 0.00289016/step Wall: 14019.2, 0.00289016/step, 0.126846 hours remaining, 213.765625 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: 4842000 792.6826 2053.4108 1943.9817 131.3952 -206339.1335 17969.1021 0.0000 0.0000 34416.0456 -149032.5154 300.5639 -183448.5610 -148935.0206 299.4346 -137.4043 -106.1679 558482.5846 -8.3828 -8.3860 PRESSURE: 4842200 17.2808 -130.53 -32.0142 -130.53 7.85654 -1.73146 -32.0139 -1.73116 44.4265 GPRESSURE: 4842200 39.1525 -68.5147 -76.1388 -114.617 69.1093 -1.62878 -30.2239 2.77908 66.0004 PRESSAVG: 4842200 -11.6402 29.2413 32.5099 29.2413 32.0038 -5.80081 32.5098 -5.80089 -9.76187 GPRESSAVG: 4842200 -11.7646 28.7195 33.5724 27.2938 31.4561 -4.82396 28.6582 -4.26519 -9.17267 TIMING: 4842200 CPU: 14019.8, 0.00289292/step Wall: 14019.8, 0.00289292/step, 0.126806 hours remaining, 213.765625 MB of memory in use. ENERGY: 4842200 739.5295 2085.3287 1936.5711 116.5835 -206092.0082 17858.9933 0.0000 0.0000 34256.7427 -149098.2593 299.1727 -183355.0020 -149002.8272 299.5535 23.1879 58.0874 558935.0246 3.5339 3.5063 PRESSURE: 4842400 -30.7757 63.7288 34.5044 63.7296 117.26 105.613 34.503 105.613 132.544 GPRESSURE: 4842400 31.9852 36.7986 24.4151 51.1716 119.639 138.37 54.1827 78.3366 174.203 PRESSAVG: 4842400 1.1078 -0.449335 -3.57072 -0.44934 67.2015 34.9775 -3.57075 34.9775 -59.5472 GPRESSAVG: 4842400 1.16081 -1.01056 -3.7385 1.34473 68.8546 35.5861 -1.50489 34.7851 -61.2909 TIMING: 4842400 CPU: 14020.3, 0.0028564/step Wall: 14020.3, 0.0028564/step, 0.125047 hours remaining, 213.765625 MB of memory in use. ENERGY: 4842400 724.4197 2053.3286 1957.0426 111.6352 -206207.0352 17912.8571 0.0000 0.0000 34342.0828 -149105.6692 299.9180 -183447.7520 -149014.6701 299.7494 73.0092 108.6090 558009.9489 2.9207 2.9082 PRESSURE: 4842600 -313.549 106.724 -13.3149 106.725 136.645 -33.4541 -13.3145 -33.4545 -128.992 GPRESSURE: 4842600 -270.104 149.265 -3.79418 219.445 141.829 -119.281 16.4126 27.8766 -78.8073 PRESSAVG: 4842600 -14.876 -39.287 22.8086 -39.287 12.3482 17.1251 22.8086 17.1252 -12.1078 GPRESSAVG: 4842600 -15.2461 -37.8505 22.1554 -39.3242 10.6523 14.6378 24.9276 16.6076 -9.66334 TIMING: 4842600 CPU: 14020.9, 0.00292431/step Wall: 14020.9, 0.00292431/step, 0.127857 hours remaining, 213.765625 MB of memory in use. ENERGY: 4842600 747.9381 2052.2267 1939.7623 120.6701 -206002.1363 17747.2770 0.0000 0.0000 34392.2971 -149001.9651 300.3565 -183394.2622 -148898.9774 299.7312 -101.9652 -69.0275 558486.8224 -4.8786 -4.7524 PRESSURE: 4842800 112.024 35.6404 157.713 35.6405 -19.6357 69.8801 157.714 69.8801 2.65752 GPRESSURE: 4842800 101.566 108.325 196.86 -121.258 21.7386 128.412 233.043 14.2545 54.1337 PRESSAVG: 4842800 -42.1312 0.0641174 37.8086 0.0641153 -3.93079 33.7753 37.8087 33.7753 7.29401 GPRESSAVG: 4842800 -40.8403 -0.00441685 37.9184 -1.57075 -3.47832 36.5003 38.4948 34.0958 5.70705 TIMING: 4842800 CPU: 14021.5, 0.00291966/step Wall: 14021.5, 0.00291966/step, 0.127492 hours remaining, 213.765625 MB of memory in use. ENERGY: 4842800 738.4935 2068.7282 1925.6892 98.3595 -206061.4936 17823.8422 0.0000 0.0000 34212.1087 -149194.2723 298.7829 -183406.3810 -149098.8126 300.3842 31.6821 59.1462 557539.3049 -12.9227 -12.8705 PRESSURE: 4843000 93.91 198.618 -47.0347 198.618 -32.373 -96.2877 -47.0346 -96.2875 159.213 GPRESSURE: 4843000 106.088 114.698 -128.734 159.788 30.2324 -18.4724 -88.697 -54.8167 199.326 PRESSAVG: 4843000 12.9836 48.1169 23.8906 48.117 -8.65209 58.3469 23.8906 58.3468 1.95085 GPRESSAVG: 4843000 12.2467 46.9012 23.2965 49.7296 -8.86176 55.3842 23.246 58.6267 2.91631 TIMING: 4843000 CPU: 14022.1, 0.00291065/step Wall: 14022.1, 0.00291065/step, 0.126937 hours remaining, 213.765625 MB of memory in use. ENERGY: 4843000 747.0111 2032.3994 1974.7134 106.7581 -206037.4302 17969.4422 0.0000 0.0000 34150.4174 -149056.6885 298.2441 -183207.1059 -148964.2383 299.9505 73.5834 111.8822 556513.6302 2.0941 2.1004 PRESSURE: 4843200 -350.409 121.974 -63.894 121.974 -207.933 28.4301 -63.895 28.4316 -80.3432 GPRESSURE: 4843200 -288.305 67.8349 -78.7679 143.453 -144.148 -17.745 -113.407 55.9801 -102.142 PRESSAVG: 4843200 -37.7619 44.2592 2.96363 44.2592 31.2771 20.1277 2.96371 20.1278 20.6548 GPRESSAVG: 4843200 -38.6629 44.6955 4.58354 45.0181 31.1683 21.7924 0.776127 19.0844 21.2709 TIMING: 4843200 CPU: 14022.7, 0.0028981/step Wall: 14022.7, 0.0028981/step, 0.126228 hours remaining, 213.765625 MB of memory in use. ENERGY: 4843200 743.7962 2091.2127 1943.1138 121.0706 -205781.0120 17530.0007 0.0000 0.0000 34136.5290 -149215.2890 298.1228 -183351.8180 -149120.7774 299.2313 -212.8950 -178.1984 557302.9031 4.7234 4.5921 PRESSURE: 4843400 -5.64308 54.827 94.9782 54.8262 114.287 -22.944 94.9787 -22.9438 116.313 GPRESSURE: 4843400 -2.70633 69.9567 142.918 31.873 131.706 -26.8497 75.8288 66.5828 184.292 PRESSAVG: 4843400 6.69772 34.2246 -19.6021 34.2246 16.8488 11.3977 -19.6021 11.3977 -16.3497 GPRESSAVG: 4843400 7.22667 33.8966 -20.5349 33.4319 17.5301 10.1129 -18.2461 13.2967 -17.4945 TIMING: 4843400 CPU: 14023.3, 0.0028783/step Wall: 14023.3, 0.0028783/step, 0.125206 hours remaining, 213.765625 MB of memory in use. ENERGY: 4843400 759.9050 2064.6434 1948.2552 103.5270 -206440.5575 18002.2811 0.0000 0.0000 34306.4398 -149255.5062 299.6067 -183561.9459 -149162.0562 299.0549 74.9857 104.4308 557382.2526 2.3989 2.4208 PRESSURE: 4843600 181.971 -5.57712 -37.0846 -5.57708 -207.846 105.371 -37.0835 105.369 155.187 GPRESSURE: 4843600 206.508 -63.5299 -0.371216 12.8818 -157.415 149.765 17.7884 28.3249 173.677 PRESSAVG: 4843600 -35.5925 8.59915 44.727 8.59913 18.5389 -51.2277 44.7271 -51.2277 33.1307 GPRESSAVG: 4843600 -34.0162 10.0869 45.6624 7.9666 18.7282 -51.6254 44.1448 -51.7889 31.3725 TIMING: 4843600 CPU: 14023.8, 0.00290498/step Wall: 14023.8, 0.00290498/step, 0.126205 hours remaining, 213.765625 MB of memory in use. ENERGY: 4843600 727.5302 2094.5818 1973.5581 108.2689 -206187.5142 17836.5863 0.0000 0.0000 34279.9626 -149167.0264 299.3754 -183446.9890 -149074.1876 298.5743 43.1040 74.2568 558301.7063 5.3590 5.3615 PRESSURE: 4843800 20.9087 -91.888 176.115 -91.8891 -108.369 -78.1723 176.115 -78.1713 -165.645 GPRESSURE: 4843800 6.7293 -33.9139 247.599 -95.7593 -35.0152 -112.695 99.4553 -129.853 -123.662 PRESSAVG: 4843800 15.5805 -28.7165 -11.5446 -28.7165 9.34025 -16.3114 -11.5447 -16.3114 2.94208 GPRESSAVG: 4843800 14.0298 -28.7834 -11.8985 -26.7512 9.46879 -14.966 -12.2032 -17.7903 4.76527 TIMING: 4843800 CPU: 14024.4, 0.00292707/step Wall: 14024.4, 0.00292707/step, 0.127002 hours remaining, 213.765625 MB of memory in use. ENERGY: 4843800 735.3929 2082.5298 1947.6818 112.1675 -205797.2982 17518.9777 0.0000 0.0000 34464.3239 -148936.2246 300.9855 -183400.5486 -148838.0877 299.5617 -84.3685 -50.6493 558358.1228 9.2876 9.4213 PRESSURE: 4844000 -235.127 84.167 -190.975 84.1671 143.258 64.8805 -190.976 64.8793 -274.759 GPRESSURE: 4844000 -224.822 11.8433 -198.196 91.4772 141.97 34.847 -135.29 94.0351 -195.259 PRESSAVG: 4844000 0.946727 -0.666955 -37.6674 -0.667001 -11.7434 15.8911 -37.6674 15.8911 -2.10478 GPRESSAVG: 4844000 1.52446 -0.998628 -37.464 0.557875 -12.1548 16.3664 -37.4288 16.185 -2.66488 TIMING: 4844000 CPU: 14025, 0.00290051/step Wall: 14025, 0.00290051/step, 0.125689 hours remaining, 213.765625 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: 4844000 718.4778 2083.6562 1918.8416 115.6733 -205781.8679 17563.1682 0.0000 0.0000 34368.3818 -149013.6691 300.1476 -183382.0509 -148919.8700 299.7481 -122.2091 -92.7040 558248.8542 -4.3005 -4.4317 PRESSURE: 4844200 -20.1646 19.4532 5.90494 19.4532 -193.682 68.4877 5.90501 68.4877 -234.149 GPRESSURE: 4844200 -6.63912 -15.1659 14.185 51.8541 -121.388 -4.74719 -67.4536 64.3698 -208.126 PRESSAVG: 4844200 47.1954 3.90958 9.22227 3.90947 6.11556 11.9891 9.22241 11.9892 -7.28379 GPRESSAVG: 4844200 47.1407 2.7431 8.28466 2.20019 5.74786 10.3697 10.1999 11.7635 -6.95892 TIMING: 4844200 CPU: 14025.6, 0.00291961/step Wall: 14025.6, 0.00291961/step, 0.126354 hours remaining, 213.765625 MB of memory in use. ENERGY: 4844200 792.9104 2084.6149 1956.5763 102.8218 -206140.6122 17664.7665 0.0000 0.0000 34445.4113 -149093.5110 300.8203 -183538.9223 -149009.6508 299.8829 -149.3319 -112.0509 556843.0229 15.3424 15.3099 LDB: ============= START OF LOAD BALANCING ============== 14029 LDB: ============== END OF LOAD BALANCING =============== 14029 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14029 LDB: ============= START OF LOAD BALANCING ============== 14029.3 LDB: Largest compute 4799 load 0.027602 is 23.4% of average load 0.117962 LDB: Average compute 0.001721 is 1.5% of average load 0.117962 LDB: TIME 14029.3 LOAD: AVG 0.117962 MAX 0.178981 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.77 MB LDB: TIME 14029.3 LOAD: AVG 0.117962 MAX 0.178981 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.77 MB LDB: TIME 14029.3 LOAD: AVG 0.117962 MAX 0.178981 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14029.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14029.3 PRESSURE: 4844400 -211.225 -0.309412 197.624 -0.309877 114.092 -74.6288 197.624 -74.6271 -228.297 GPRESSURE: 4844400 -89.4623 -38.7121 131.483 -16.0354 83.5454 -42.8657 196.84 -31.3503 -212.264 PRESSAVG: 4844400 4.8699 -44.258 -4.68291 -44.258 79.5385 -41.6714 -4.68296 -41.6716 -51.6128 GPRESSAVG: 4844400 4.85624 -44.5331 -4.63396 -43.9565 79.9198 -42.115 -3.45017 -41.6248 -51.7445 TIMING: 4844400 CPU: 14026.2, 0.00295327/step Wall: 14026.2, 0.00295327/step, 0.127647 hours remaining, 213.882812 MB of memory in use. ENERGY: 4844400 704.6551 2074.5210 1928.2952 104.4910 -205674.9829 17520.1183 0.0000 0.0000 34253.0942 -149089.8080 299.1408 -183342.9023 -148986.1395 299.3422 -108.4766 -72.7268 557330.3461 10.9318 11.0105 PRESSURE: 4844600 -29.9187 50.1326 -35.6154 50.1326 167.977 94.9007 -35.6159 94.9012 -114.678 GPRESSURE: 4844600 -34.8056 65.3531 33.5823 82.7057 179.811 36.3982 -52.2946 91.2358 -23.4284 PRESSAVG: 4844600 -38.3225 -8.81151 63.9321 -8.81144 52.6472 -0.0458306 63.9322 -0.0459423 -33.899 GPRESSAVG: 4844600 -38.4193 -7.94279 64.486 -7.75605 51.8059 1.20622 62.6181 -0.0276024 -33.2643 TIMING: 4844600 CPU: 14026.8, 0.00291291/step Wall: 14026.8, 0.00291291/step, 0.125741 hours remaining, 213.882812 MB of memory in use. ENERGY: 4844600 742.4541 2034.8073 1958.4718 119.4241 -205815.6500 17919.4496 0.0000 0.0000 33927.0112 -149114.0318 296.2930 -183041.0431 -149023.3414 299.2615 7.7936 40.5256 558406.7755 -6.5248 -6.6259 PRESSURE: 4844800 -261.301 156.615 -285.84 156.615 218.136 67.3105 -285.841 67.309 29.8836 GPRESSURE: 4844800 -221.214 92.3461 -243.761 150.664 194.859 21.3859 -253.691 177.719 108.471 PRESSAVG: 4844800 14.1256 -18.0056 -12.0335 -18.0056 14.0796 58.1347 -12.0335 58.1345 -34.9606 GPRESSAVG: 4844800 14.4477 -18.0431 -13.1396 -18.9286 14.749 59.1121 -10.1852 58.556 -35.5724 TIMING: 4844800 CPU: 14027.3, 0.00293157/step Wall: 14027.3, 0.00293157/step, 0.126383 hours remaining, 213.882812 MB of memory in use. ENERGY: 4844800 737.0087 2095.4343 1941.4253 101.8340 -206538.5286 18003.4082 0.0000 0.0000 34291.3968 -149368.0213 299.4753 -183659.4181 -149266.8696 298.8976 -4.4271 27.3721 558602.9967 -2.2518 -2.1252 PRESSURE: 4845000 190.978 -165.242 94.0734 -165.241 94.4209 -133.483 94.0744 -133.483 -139.096 GPRESSURE: 4845000 204.854 -115.644 100.066 -153.88 143.934 -161.94 35.3442 -71.7731 -93.1423 PRESSAVG: 4845000 0.378815 46.6435 -31.8861 46.6434 40.7101 48.2877 -31.8861 48.2878 -22.7038 GPRESSAVG: 4845000 -0.111137 46.1641 -29.1255 46.4109 40.8681 46.8826 -34.858 49.5555 -22.207 TIMING: 4845000 CPU: 14027.9, 0.00288893/step Wall: 14027.9, 0.00288893/step, 0.124384 hours remaining, 213.882812 MB of memory in use. ENERGY: 4845000 736.4923 2063.8962 1945.2494 111.9390 -206535.8532 18018.7938 0.0000 0.0000 34351.4632 -149308.0193 299.9999 -183659.4825 -149207.8848 298.7661 48.7677 85.2153 557508.6690 6.1284 6.1833 PRESSURE: 4845200 31.6166 -20.3311 2.04343 -20.3303 -32.5627 34.2862 2.0423 34.2849 -149.474 GPRESSURE: 4845200 55.9753 -47.8189 -65.9065 -32.3608 -11.9955 42.8497 60.7243 7.14667 -96.5195 PRESSAVG: 4845200 33.1003 12.7969 57.7876 12.797 -29.2678 -0.995549 57.7876 -0.995512 -48.9584 GPRESSAVG: 4845200 33.4904 12.932 55.8039 13.7133 -27.9967 -2.09218 56.925 -0.803263 -49.7896 TIMING: 4845200 CPU: 14028.5, 0.00288557/step Wall: 14028.5, 0.00288557/step, 0.124079 hours remaining, 213.882812 MB of memory in use. ENERGY: 4845200 721.8097 2065.3960 1957.5834 112.7467 -206361.8386 17850.3884 0.0000 0.0000 34346.7256 -149307.1887 299.9585 -183653.9144 -149200.6210 299.0184 -50.1401 -17.5132 556379.0039 -15.0420 -14.7653 PRESSURE: 4845400 -178.914 68.1718 -116.234 68.1715 -101.248 -179.589 -116.234 -179.588 33.9946 GPRESSURE: 4845400 -88.0713 59.8808 -153.836 76.6948 -41.2028 -97.4172 -70.056 -194.016 -9.40377 PRESSAVG: 4845400 -65.6594 6.72031 54.6352 6.72034 -0.921059 -44.5855 54.6352 -44.5855 24.2748 GPRESSAVG: 4845400 -65.2776 6.8508 54.7408 7.51534 -1.70312 -42.8959 57.3186 -47.7901 24.7161 TIMING: 4845400 CPU: 14029.1, 0.00286464/step Wall: 14029.1, 0.00286464/step, 0.123021 hours remaining, 213.882812 MB of memory in use. ENERGY: 4845400 724.4272 2058.0394 1929.0418 112.5938 -205927.3505 17572.4355 0.0000 0.0000 34038.3373 -149492.4756 297.2653 -183530.8129 -149393.9952 298.9483 -82.0556 -46.2260 557859.9496 -14.1019 -14.0882 PRESSURE: 4845600 -287.489 -82.5716 43.5528 -82.5709 341.077 161.426 43.5537 161.427 -77.1202 GPRESSURE: 4845600 -207.047 -71.5514 -66.917 -128.205 290.654 55.3078 58.3202 162.29 -10.1565 PRESSAVG: 4845600 -27.7312 0.272022 27.3799 0.272026 90.0582 -10.9885 27.3798 -10.9885 -55.7154 GPRESSAVG: 4845600 -27.2847 1.54559 26.1383 -1.39737 89.9651 -12.5043 25.8536 -10.6925 -56.2734 TIMING: 4845600 CPU: 14029.6, 0.00288718/step Wall: 14029.6, 0.00288718/step, 0.123828 hours remaining, 213.882812 MB of memory in use. ENERGY: 4845600 723.8473 2104.9940 1918.6275 114.0425 -206326.4997 17839.6518 0.0000 0.0000 34260.1534 -149365.1831 299.2024 -183625.3366 -149272.2493 299.1690 -7.8442 24.4836 557633.7303 2.2039 2.1357 PRESSURE: 4845800 -207.272 -7.89518 -72.3454 -7.89627 60.9148 53.3642 -72.3469 53.3651 -158.059 GPRESSURE: 4845800 -134.607 -22.2338 -124.461 -19.0791 110.261 57.2425 -90.7378 20.6644 -186.275 PRESSAVG: 4845800 -28.2504 6.54115 4.06344 6.5412 63.5181 27.7911 4.06336 27.7912 -40.7757 GPRESSAVG: 4845800 -28.6575 5.97512 5.06934 6.24115 63.4788 29.0003 4.68324 28.4158 -40.611 TIMING: 4845800 CPU: 14030.2, 0.00290486/step Wall: 14030.2, 0.00290486/step, 0.124425 hours remaining, 213.882812 MB of memory in use. ENERGY: 4845800 741.9940 2112.4549 1915.3435 105.6185 -206084.5002 17757.8284 0.0000 0.0000 34099.5672 -149351.6937 297.8000 -183451.2609 -149249.6663 299.6860 -101.4723 -70.2070 555739.2075 -1.8360 -1.9299 PRESSURE: 4846000 -119.414 -9.46247 57.4921 -9.46264 -78.2801 -165.855 57.4919 -165.855 70.7658 GPRESSURE: 4846000 -55.2489 -14.1394 116.249 -51.5481 -43.4426 -202.554 15.0587 -133.193 75.9732 PRESSAVG: 4846000 -71.321 61.9783 49.751 61.9782 108.735 -28.3994 49.751 -28.3994 -56.5298 GPRESSAVG: 4846000 -70.945 61.4399 51.4719 63.6416 109.626 -28.9512 49.3613 -26.33 -58.0162 TIMING: 4846000 CPU: 14030.8, 0.00289394/step Wall: 14030.8, 0.00289395/step, 0.123797 hours remaining, 213.882812 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: 4846000 725.7950 2076.1537 1930.5902 116.9473 -206056.8774 17740.0822 0.0000 0.0000 34116.1626 -149351.1464 297.9449 -183467.3090 -149250.2641 299.4875 -42.3093 -7.5727 556519.6576 -6.3719 -6.4449 PRESSURE: 4846200 -128.473 12.1475 -110.838 12.148 -103.143 28.6795 -110.837 28.6802 -10.4274 GPRESSURE: 4846200 -129.074 29.1047 -86.6261 -60.6512 -83.7187 92.8827 -83.3152 60.3637 67.5305 PRESSAVG: 4846200 -22.005 76.7546 41.4596 76.7546 62.4159 -15.567 41.4595 -15.567 -15.8672 GPRESSAVG: 4846200 -22.0908 78.0277 40.8584 73.3269 61.3609 -15.386 41.0252 -17.8948 -14.3448 TIMING: 4846200 CPU: 14031.4, 0.00291069/step Wall: 14031.4, 0.00291069/step, 0.124351 hours remaining, 213.882812 MB of memory in use. ENERGY: 4846200 750.0834 2127.3758 1934.1711 107.5346 -206552.6328 17887.8997 0.0000 0.0000 34332.9169 -149412.6513 299.8379 -183745.5682 -149318.8304 299.1582 -80.6812 -48.4207 556854.9667 8.1812 8.3084 PRESSURE: 4846400 -57.3168 9.46716 131.423 9.46679 112.239 -86.0417 131.422 -86.0438 -188.642 GPRESSURE: 4846400 7.1162 -9.90829 153.214 14.3992 117.506 -144.209 96.0612 -107.189 -152.789 PRESSAVG: 4846400 20.8016 4.58809 -10.8307 4.58811 35.5574 -53.0167 -10.8308 -53.0168 -30.3439 GPRESSAVG: 4846400 19.5699 4.49894 -11.504 5.00011 36.387 -51.1827 -9.73309 -53.5704 -30.6039 TIMING: 4846400 CPU: 14032, 0.00290536/step Wall: 14032, 0.00290536/step, 0.123962 hours remaining, 213.882812 MB of memory in use. ENERGY: 4846400 753.8053 2086.8273 1942.5877 115.5337 -206539.1147 17948.9907 0.0000 0.0000 34179.3167 -149512.0533 298.4965 -183691.3701 -149406.5814 298.8301 -44.5733 -9.3890 557725.6227 8.6717 8.4510 PRESSURE: 4846600 -106.297 -36.2119 -40.6016 -36.2114 -161.674 9.98527 -40.6012 9.98745 -197.987 GPRESSURE: 4846600 -70.2326 -12.4638 0.871229 15.1845 -89.8377 19.3119 -16.0385 38.0245 -205.012 PRESSAVG: 4846600 9.979 3.05058 6.58276 3.05054 5.83789 16.1885 6.58279 16.1886 -47.8084 GPRESSAVG: 4846600 10.6458 -1.03549 6.25946 5.4957 4.56973 13.6333 8.43494 17.8647 -47.003 TIMING: 4846600 CPU: 14032.6, 0.00289621/step Wall: 14032.6, 0.00289621/step, 0.123411 hours remaining, 213.882812 MB of memory in use. ENERGY: 4846600 774.9989 2121.2377 1961.7537 118.1262 -206569.1016 17872.6432 0.0000 0.0000 34169.2294 -149551.1125 298.4084 -183720.3418 -149457.7337 298.7556 -155.3195 -121.6942 557881.9768 -10.6638 -10.5958 PRESSURE: 4846800 279.79 -28.914 77.6719 -28.9127 177.868 74.0695 77.6719 74.0708 132.221 GPRESSURE: 4846800 312.423 -4.35511 29.4655 -81.6041 160.685 125.54 159.651 69.514 216.913 PRESSAVG: 4846800 -32.1802 45.1156 29.8584 45.1156 17.0844 -11.0013 29.8584 -11.0012 22.3194 GPRESSAVG: 4846800 -32.8485 47.5527 34.9551 42.6173 17.2032 -11.0916 26.9178 -10.1636 23.4148 TIMING: 4846800 CPU: 14033.1, 0.0028892/step Wall: 14033.1, 0.0028892/step, 0.122952 hours remaining, 213.882812 MB of memory in use. ENERGY: 4846800 758.9239 2074.3043 1973.6776 132.1925 -206800.6825 18151.6049 0.0000 0.0000 34113.3248 -149596.6546 297.9201 -183709.9794 -149500.1264 297.6942 196.6266 230.0068 555902.3185 2.4079 2.5898 PRESSURE: 4847000 32.1919 -135.308 119.579 -135.308 -36.1013 125.144 119.58 125.143 401.32 GPRESSURE: 4847000 99.3859 -183.685 152.295 -132.841 -27.8337 67.2457 105.597 177.831 409.228 PRESSAVG: 4847000 -9.33088 29.5574 35.6462 29.5573 70.1656 -47.7519 35.6461 -47.7519 -61.5212 GPRESSAVG: 4847000 -8.63577 29.9803 32.9702 30.2507 70.2499 -46.7772 36.0833 -47.7918 -62.1346 TIMING: 4847000 CPU: 14033.7, 0.00290747/step Wall: 14033.7, 0.00290747/step, 0.123567 hours remaining, 213.882812 MB of memory in use. ENERGY: 4847000 716.6068 2156.0213 1983.9724 115.4550 -206530.2811 17971.8485 0.0000 0.0000 33918.6103 -149667.7668 296.2197 -183586.3771 -149571.1323 298.2945 132.4702 160.2602 555014.9440 -0.2288 -0.1735 PRESSURE: 4847200 -89.914 -107.49 51.5621 -107.488 108.135 -27.8931 51.5622 -27.8932 327.414 GPRESSURE: 4847200 -108.65 -126.484 89.0549 -134.372 204.284 -58.0417 16.7587 -29.5515 339.385 PRESSAVG: 4847200 13.3043 -33.0738 15.9996 -33.0738 -47.3095 72.7614 15.9995 72.7612 29.1448 GPRESSAVG: 4847200 13.535 -34.715 14.6708 -32.2624 -45.4386 71.8938 15.8496 71.0504 27.1626 TIMING: 4847200 CPU: 14034.3, 0.00291279/step Wall: 14034.3, 0.00291279/step, 0.123632 hours remaining, 213.882812 MB of memory in use. ENERGY: 4847200 750.5615 2131.5549 1982.2990 119.1742 -206673.0262 17952.8055 0.0000 0.0000 34221.4626 -149515.1683 298.8645 -183736.6310 -149419.4081 298.4274 115.2119 145.0062 554951.2785 -1.6201 -1.5804 PRESSURE: 4847400 183.634 66.3171 7.14936 66.3146 125.498 -100.233 7.14961 -100.233 377.661 GPRESSURE: 4847400 224.916 80.3374 -47.874 58.3523 190.344 -66.9714 28.3354 -115.372 371.747 PRESSAVG: 4847400 -44.2727 4.85946 -2.57998 4.85943 19.0206 23.8375 -2.57997 23.8374 32.3704 GPRESSAVG: 4847400 -45.6946 4.98629 -2.70897 5.06007 19.1429 25.1616 -3.0802 25.4053 34.3631 TIMING: 4847400 CPU: 14034.9, 0.00291236/step Wall: 14034.9, 0.00291236/step, 0.123452 hours remaining, 213.882812 MB of memory in use. ENERGY: 4847400 764.3809 2109.8558 1947.4496 117.4240 -206621.6857 17986.6764 0.0000 0.0000 34215.7844 -149480.1145 298.8150 -183695.8989 -149387.6527 299.0952 228.9313 262.3357 554231.3674 2.3728 2.6038 PRESSURE: 4847600 -38.4523 176.053 114.954 176.053 -77.8034 24.4116 114.953 24.4121 9.6067 GPRESSURE: 4847600 19.2692 97.2931 79.8618 158.29 -7.62196 63.0129 77.2438 12.2521 -27.219 PRESSAVG: 4847600 46.4625 36.9079 16.5237 36.9078 -36.442 37.2665 16.5237 37.2664 -2.30864 GPRESSAVG: 4847600 47.4296 37.6702 16.3406 34.9881 -37.0985 35.7766 18.0745 38.2944 -2.56081 TIMING: 4847600 CPU: 14035.5, 0.00291754/step Wall: 14035.5, 0.00291754/step, 0.123509 hours remaining, 213.882812 MB of memory in use. ENERGY: 4847600 744.2954 2131.8140 1945.1045 107.6409 -206175.9854 17605.8870 0.0000 0.0000 34194.9815 -149446.2621 298.6333 -183641.2436 -149348.9505 299.1640 -35.5497 -5.1906 555881.6631 2.5706 2.5901 PRESSURE: 4847800 -108.376 141.856 130.679 141.857 18.95 103.17 130.679 103.17 -104.07 GPRESSURE: 4847800 -86.7566 201.104 95.3995 96.5097 49.8199 80.4221 188.111 53.331 -60.0818 PRESSAVG: 4847800 -3.58054 15.0784 -0.747967 15.0784 -9.78635 56.6099 -0.748059 56.6099 -2.01305 GPRESSAVG: 4847800 -4.84044 15.2907 1.17657 15.1937 -9.6339 58.1138 -3.01513 54.0087 -1.57121 TIMING: 4847800 CPU: 14036, 0.00293217/step Wall: 14036, 0.00293217/step, 0.123966 hours remaining, 213.882812 MB of memory in use. ENERGY: 4847800 742.5795 2022.6947 1932.6526 118.2941 -206299.0021 17702.8394 0.0000 0.0000 34353.0566 -149426.8852 300.0138 -183779.9419 -149326.5885 299.0907 -64.4986 -32.3395 556034.7371 -5.1266 -5.3485 PRESSURE: 4848000 -163.188 72.4797 32.1447 72.4795 -407.387 -2.52394 32.1463 -2.52554 -393.146 GPRESSURE: 4848000 -155.225 125.1 -31.0171 118.509 -334.435 -39.4374 53.4497 -36.1218 -377.898 PRESSAVG: 4848000 -44.5227 51.6914 0.525914 51.6913 54.682 -20.0429 0.525828 -20.0429 -7.64122 GPRESSAVG: 4848000 -44.1693 51.9444 -0.429795 54.4706 55.3031 -19.5222 2.61234 -19.4746 -8.83276 TIMING: 4848000 CPU: 14036.6, 0.00288164/step Wall: 14036.6, 0.00288164/step, 0.121669 hours remaining, 213.882812 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: 4848000 748.8823 2104.6121 1935.6173 119.3482 -205887.9980 17534.1137 0.0000 0.0000 34212.2049 -149233.2195 298.7837 -183445.4244 -149133.4326 299.4509 -321.2402 -289.1861 559354.4041 0.8394 0.7670 PRESSURE: 4848200 -0.0228958 -46.77 10.6057 -46.7715 399.553 -163.72 10.605 -163.72 5.85292 GPRESSURE: 4848200 112.153 -3.09875 10.8346 -167.874 378.781 -190.579 -4.88375 -117.926 28.9738 PRESSAVG: 4848200 20.1343 46.9863 3.86553 46.9863 2.52795 18.0811 3.86556 18.0811 -31.451 GPRESSAVG: 4848200 20.674 46.8962 3.65105 45.5909 0.984633 17.5292 3.75496 19.4595 -30.5601 TIMING: 4848200 CPU: 14037.2, 0.0028871/step Wall: 14037.2, 0.0028871/step, 0.121739 hours remaining, 213.882812 MB of memory in use. ENERGY: 4848200 682.2172 2140.3482 1923.9901 108.2310 -206338.2239 17968.8247 0.0000 0.0000 34281.6003 -149233.0124 299.3897 -183514.6127 -149138.2271 299.5428 135.1278 173.3025 557867.3864 -2.9296 -2.9672 LDB: ============= START OF LOAD BALANCING ============== 14040.6 LDB: ============== END OF LOAD BALANCING =============== 14040.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14040.6 LDB: ============= START OF LOAD BALANCING ============== 14040.9 LDB: Largest compute 4799 load 0.029682 is 25.2% of average load 0.117960 LDB: Average compute 0.001727 is 1.5% of average load 0.117960 LDB: TIME 14040.9 LOAD: AVG 0.11796 MAX 0.179207 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.941 MB LDB: TIME 14040.9 LOAD: AVG 0.11796 MAX 0.179207 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.941 MB LDB: TIME 14040.9 LOAD: AVG 0.11796 MAX 0.179207 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14040.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14040.9 PRESSURE: 4848400 71.0739 19.1255 72.8859 19.1262 -109.177 -36.1142 72.8852 -36.1124 75.1641 GPRESSURE: 4848400 63.1407 47.5145 -5.27729 -80.1338 -39.5713 -45.6108 57.4085 -35.4524 104.597 PRESSAVG: 4848400 -23.366 56.9413 -5.90853 56.9414 -10.2265 1.28828 -5.90857 1.28828 5.65474 GPRESSAVG: 4848400 -24.253 55.7142 -6.95954 57.3437 -8.5408 1.58627 -3.5642 -1.10895 4.9117 TIMING: 4848400 CPU: 14037.8, 0.00297338/step Wall: 14037.8, 0.00297337/step, 0.125212 hours remaining, 213.105469 MB of memory in use. ENERGY: 4848400 751.4668 2071.3888 1980.0897 121.9819 -206317.3376 17930.2051 0.0000 0.0000 34321.8896 -149140.3156 299.7416 -183462.2052 -149042.9102 299.8045 12.3538 42.7223 557938.7183 -9.3126 -9.2940 PRESSURE: 4848600 41.4136 17.8291 -31.6054 17.8294 -171.519 -22.465 -31.6046 -22.4671 -219.16 GPRESSURE: 4848600 85.4305 13.696 -38.3743 -15.6167 -142.858 -114.462 17.4212 -26.4114 -197.782 PRESSAVG: 4848600 -14.6024 25.6106 -21.6015 25.6106 12.7654 -24.6613 -21.6015 -24.6613 37.0472 GPRESSAVG: 4848600 -12.6313 25.5659 -20.9141 25.872 11.6987 -26.8804 -23.29 -23.5899 36.06 TIMING: 4848600 CPU: 14038.4, 0.00289454/step Wall: 14038.4, 0.00289454/step, 0.121732 hours remaining, 213.105469 MB of memory in use. ENERGY: 4848600 725.0239 2106.4811 1939.7513 109.6766 -206028.9806 17737.7389 0.0000 0.0000 34210.3924 -149199.9164 298.7679 -183410.3088 -149102.8176 299.5841 -116.4215 -85.0696 559187.6911 11.7368 11.7091 PRESSURE: 4848800 -176.331 167.71 -49.0663 167.71 -315.017 71.9833 -49.0663 71.9834 -396.608 GPRESSURE: 4848800 -177.127 205.176 -87.7721 147.217 -250.465 -19.351 -45.204 112.619 -361.063 PRESSAVG: 4848800 25.9425 11.9935 -26.0351 11.9935 1.8578 12.1867 -26.035 12.1866 -11.3157 GPRESSAVG: 4848800 24.7997 12.7514 -25.9404 11.1869 2.05151 15.9308 -25.4334 12.8473 -9.78783 TIMING: 4848800 CPU: 14039, 0.00290127/step Wall: 14039, 0.00290127/step, 0.121853 hours remaining, 213.105469 MB of memory in use. ENERGY: 4848800 741.6164 2104.5775 1934.6770 109.4755 -205829.4599 17501.0098 0.0000 0.0000 34361.0325 -149077.0713 300.0834 -183438.1038 -148979.9846 299.7784 -295.9852 -262.8850 559463.7498 5.4949 5.6878 PRESSURE: 4849000 -100.219 -0.186514 -182.426 -0.186181 0.632819 245.412 -182.426 245.41 -8.31589 GPRESSURE: 4849000 -71.741 11.4409 -175.773 -11.1543 20.7704 249.074 -197.412 230.93 20.3116 PRESSAVG: 4849000 -32.1789 15.4589 -40.2503 15.4587 29.8366 52.8274 -40.2504 52.8273 -0.913062 GPRESSAVG: 4849000 -31.6837 15.3716 -40.4827 16.4823 29.6616 52.0889 -40.9513 53.0167 -2.07038 TIMING: 4849000 CPU: 14039.5, 0.00291249/step Wall: 14039.5, 0.00291249/step, 0.122163 hours remaining, 213.105469 MB of memory in use. ENERGY: 4849000 728.3170 2066.9919 1956.6441 103.7976 -206301.5570 17824.7977 0.0000 0.0000 34528.0263 -149092.9825 301.5418 -183621.0087 -148997.9950 299.4594 -35.9674 -10.2197 558194.9862 -1.0851 -1.3642 PRESSURE: 4849200 -6.04575 69.8261 -7.69165 69.8268 8.26732 -43.1275 -7.69283 -43.1273 -79.3009 GPRESSURE: 4849200 9.24992 75.7984 39.0006 45.7952 38.9637 -5.67908 -0.343529 -146.093 -44.7864 PRESSAVG: 4849200 34.7021 18.4269 -16.4118 18.4268 -33.1879 40.4061 -16.4117 40.4061 9.75879 GPRESSAVG: 4849200 34.2205 19.0692 -16.5322 17.8334 -33.8132 39.1646 -17.2473 39.795 10.3781 TIMING: 4849200 CPU: 14040.1, 0.00290502/step Wall: 14040.1, 0.00290502/step, 0.121688 hours remaining, 213.105469 MB of memory in use. ENERGY: 4849200 714.3811 2053.5056 1989.1812 114.5662 -206194.8472 17800.9194 0.0000 0.0000 34634.2848 -148888.0089 302.4698 -183522.2936 -148785.2207 300.0733 -25.6931 1.1424 557266.8479 3.7577 3.5952 PRESSURE: 4849400 -248.731 -60.7239 -141.876 -60.7246 -72.8832 227.851 -141.876 227.849 -255.653 GPRESSURE: 4849400 -255.46 -25.1683 -154.967 -50.1732 -3.41655 233.083 -75.4024 247.499 -200.357 PRESSAVG: 4849400 16.5342 -24.4521 -30.5621 -24.4521 -33.3263 5.0202 -30.5621 5.02019 -11.6966 GPRESSAVG: 4849400 15.2972 -25.5545 -32.2389 -24.4545 -31.8118 6.21188 -30.0175 5.49383 -12.1118 TIMING: 4849400 CPU: 14040.7, 0.00286489/step Wall: 14040.7, 0.00286489/step, 0.119848 hours remaining, 213.105469 MB of memory in use. ENERGY: 4849400 789.1094 2070.5578 1960.2949 125.5703 -206089.5716 17702.5722 0.0000 0.0000 34442.4618 -148999.0052 300.7946 -183441.4670 -148895.9258 300.2192 -192.4226 -153.0777 557731.4046 -9.4963 -9.5421 PRESSURE: 4849600 -18.0025 -22.0985 74.5695 -22.099 99.103 19.8466 74.5703 19.8466 58.0001 GPRESSURE: 4849600 39.593 64.6229 62.715 2.6228 118.402 -31.7928 73.8915 29.7235 76.8451 PRESSAVG: 4849600 -11.7714 -45.7351 -8.79091 -45.7351 12.2623 -9.19051 -8.79092 -9.1904 17.2935 GPRESSAVG: 4849600 -12.5156 -44.984 -7.51177 -45.4199 12.4543 -12.4165 -8.50413 -8.25344 17.2329 TIMING: 4849600 CPU: 14041.3, 0.00288975/step Wall: 14041.3, 0.00288975/step, 0.120727 hours remaining, 213.105469 MB of memory in use. ENERGY: 4849600 728.2739 2131.6305 1967.8694 118.8454 -205987.5685 17794.3473 0.0000 0.0000 34105.4084 -149141.1936 297.8510 -183246.6020 -149042.8341 300.1506 46.3669 78.2801 559099.0232 5.9281 5.7238 PRESSURE: 4849800 128.928 95.0804 41.1531 95.0804 -6.2678 3.2032 41.1524 3.20233 -21.3058 GPRESSURE: 4849800 227.68 143.651 15.0116 -14.3049 7.77856 18.5889 87.2606 4.50859 -35.1126 PRESSAVG: 4849800 -27.1431 -18.3205 48.4434 -18.3205 41.3769 0.23408 48.4434 0.233992 9.63171 GPRESSAVG: 4849800 -25.5982 -20.377 49.6728 -16.0798 40.947 2.46707 48.031 0.250946 8.52768 TIMING: 4849800 CPU: 14041.8, 0.00289092/step Wall: 14041.8, 0.00289092/step, 0.120615 hours remaining, 213.105469 MB of memory in use. ENERGY: 4849800 744.3542 2052.9279 1939.3618 106.3267 -206649.7766 18096.5090 0.0000 0.0000 34499.6454 -149210.6516 301.2940 -183710.2969 -149115.8069 299.9813 33.7848 66.7820 558362.1932 7.9552 7.9588 PRESSURE: 4850000 156.369 155.414 -63.8043 155.414 -92.8702 28.2251 -63.8035 28.225 184.24 GPRESSURE: 4850000 202.297 117.947 -128.481 123.732 -81.5409 41.5102 -39.7581 -1.75956 217.677 PRESSAVG: 4850000 33.9483 14.997 -6.65743 14.997 -112.718 -45.1138 -6.65755 -45.1138 57.9402 GPRESSAVG: 4850000 33.3252 16.3304 -7.024 12.3645 -113.072 -44.6742 -7.05971 -47.7823 58.9629 TIMING: 4850000 CPU: 14042.4, 0.00288609/step Wall: 14042.4, 0.00288609/step, 0.120254 hours remaining, 213.105469 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: 4850000 752.9342 2146.5396 1926.5228 102.9536 -206277.6371 18042.8799 0.0000 0.0000 34073.4981 -149232.3089 297.5723 -183305.8070 -149132.7657 299.8008 82.5795 112.8110 559259.8650 -6.9430 -6.9279 PRESSURE: 4850200 170.789 39.1036 24.0367 39.103 184.197 43.3297 24.0362 43.3318 21.1035 GPRESSURE: 4850200 195.655 72.2276 15.7034 53.9779 227.829 62.2735 16.2125 70.3928 50.713 PRESSAVG: 4850200 52.3661 14.945 -45.0323 14.945 -26.0607 14.5575 -45.0324 14.5575 -42.3948 GPRESSAVG: 4850200 52.4524 15.5634 -44.6685 14.9172 -26.1731 14.3965 -45.0464 14.8227 -42.1099 TIMING: 4850200 CPU: 14043, 0.00290726/step Wall: 14043, 0.00290726/step, 0.120974 hours remaining, 213.105469 MB of memory in use. ENERGY: 4850200 730.1042 2022.8685 1973.2330 118.2553 -206500.2211 18045.8180 0.0000 0.0000 34379.4969 -149230.4452 300.2447 -183609.9421 -149128.5223 298.8256 125.3631 158.0658 558262.3426 -5.3631 -5.2769 PRESSURE: 4850400 14.994 -83.8916 -50.8341 -83.8915 -275.751 -45.5746 -50.833 -45.5738 12.4981 GPRESSURE: 4850400 37.3158 -65.2035 -70.4378 -85.3879 -198.54 -61.0839 -71.7342 33.8174 10.5796 PRESSAVG: 4850400 -11.4561 4.67608 40.8103 4.67595 42.3941 -3.93149 40.8104 -3.93141 6.58992 GPRESSAVG: 4850400 -12.0281 4.09425 39.0707 6.31389 42.8006 -5.02625 40.4538 -2.30647 6.29733 TIMING: 4850400 CPU: 14043.6, 0.00290492/step Wall: 14043.6, 0.00290492/step, 0.120716 hours remaining, 213.105469 MB of memory in use. ENERGY: 4850400 774.1270 2078.8229 1972.6500 102.5318 -206502.1533 17954.1360 0.0000 0.0000 34328.5016 -149291.3840 299.7993 -183619.8857 -149192.4660 299.6460 -82.7530 -50.2150 558602.4623 12.5093 12.3566 PRESSURE: 4850600 108.273 48.6053 -43.1346 48.6052 82.8565 -87.2216 -43.135 -87.2216 151.705 GPRESSURE: 4850600 175.519 -15.8947 -49.2631 79.6649 80.9084 -81.2796 17.3089 -128.915 176.599 PRESSAVG: 4850600 58.8268 -26.6625 25.6035 -26.6626 -54.1365 28.8896 25.6036 28.8895 -18.2999 GPRESSAVG: 4850600 57.6229 -26.4418 27.4845 -29.4684 -53.5062 30.78 26.6766 27.0958 -18.0722 TIMING: 4850600 CPU: 14044.2, 0.00288786/step Wall: 14044.2, 0.00288786/step, 0.119846 hours remaining, 213.105469 MB of memory in use. ENERGY: 4850600 757.5018 2069.5414 1956.5807 127.2808 -206721.9972 18117.4046 0.0000 0.0000 34414.5769 -149279.1111 300.5511 -183693.6880 -149183.2044 298.9537 114.2781 144.3422 556755.6146 -4.5366 -4.6518 PRESSURE: 4850800 -31.9211 3.719 2.91437 3.71827 -101.744 5.08378 2.91476 5.08171 -58.369 GPRESSURE: 4850800 -18.5809 33.1469 45.4893 -39.6994 -48.5167 -73.2127 -94.6999 70.9334 -31.8657 PRESSAVG: 4850800 98.6078 -4.29953 -33.5374 -4.29946 -38.2872 6.01094 -33.5373 6.01101 -23.9363 GPRESSAVG: 4850800 99.4311 -3.85349 -32.0687 -2.4027 -38.2471 5.12893 -35.1281 5.6672 -24.7661 TIMING: 4850800 CPU: 14044.7, 0.00288321/step Wall: 14044.7, 0.00288321/step, 0.119493 hours remaining, 213.105469 MB of memory in use. ENERGY: 4850800 719.0790 2074.5954 1926.5344 120.9208 -205592.2604 17479.3320 0.0000 0.0000 34037.6143 -149234.1844 297.2590 -183271.7988 -149133.6989 299.2525 -64.0113 -32.9878 557605.8138 12.1281 12.1393 PRESSURE: 4851000 -184.649 82.1862 12.2934 82.188 -284.157 -128.076 12.2937 -128.075 -27.6618 GPRESSURE: 4851000 -184.6 59.447 30.85 45.0128 -177.489 -74.7663 -27.0122 -110.824 -47.5568 PRESSAVG: 4851000 -21.709 2.79577 -12.3655 2.79585 -20.6465 24.0849 -12.3656 24.0848 13.4576 GPRESSAVG: 4851000 -19.7901 2.598 -15.2685 2.14357 -23.0607 23.2162 -10.907 23.4063 14.1256 TIMING: 4851000 CPU: 14045.3, 0.00286767/step Wall: 14045.3, 0.00286767/step, 0.11869 hours remaining, 213.363281 MB of memory in use. ENERGY: 4851000 756.1690 2070.2348 1907.8800 112.7311 -205906.7524 17498.2028 0.0000 0.0000 34237.0099 -149324.5249 299.0003 -183561.5349 -149224.5558 298.8936 -165.4894 -136.5486 557842.5116 -9.6327 -9.5751 PRESSURE: 4851200 -13.7205 55.7266 -160.343 55.7263 91.0758 48.5247 -160.341 48.5247 -204.089 GPRESSURE: 4851200 11.8181 112.568 -105.566 67.8638 113.568 80.5247 -187.537 117.548 -160.544 PRESSAVG: 4851200 3.4306 -26.3887 -73.4528 -26.3888 35.4985 31.3177 -73.4528 31.3176 -46.2414 GPRESSAVG: 4851200 2.66511 -26.2576 -70.5346 -26.8844 36.9908 31.6769 -72.3968 33.1769 -46.7745 TIMING: 4851200 CPU: 14045.9, 0.00287276/step Wall: 14045.9, 0.00287276/step, 0.118741 hours remaining, 213.363281 MB of memory in use. ENERGY: 4851200 781.3370 2044.6257 1945.3941 113.8892 -206425.9663 17896.3769 0.0000 0.0000 34312.8243 -149331.5191 299.6624 -183644.3434 -149236.8318 299.1742 -42.2447 -11.7194 557178.5346 -2.4374 -2.3729 PRESSURE: 4851400 -126.586 200.248 -156.867 200.248 81.7176 141.18 -156.867 141.18 58.4419 GPRESSURE: 4851400 -143.518 237.096 -201.033 141.638 102.608 117.063 -109.432 128.507 147.969 PRESSAVG: 4851400 -10.9111 90.2315 -101.053 90.2315 41.7088 20.0471 -101.053 20.0471 -46.4641 GPRESSAVG: 4851400 -12.4902 87.8523 -103.41 92.0773 42.6091 19.6396 -102.803 20.6858 -45.854 TIMING: 4851400 CPU: 14046.5, 0.00287885/step Wall: 14046.5, 0.00287885/step, 0.118833 hours remaining, 213.363281 MB of memory in use. ENERGY: 4851400 766.9781 2091.3968 1943.5218 114.6700 -205939.3379 17762.0988 0.0000 0.0000 34112.4828 -149148.1895 297.9128 -183260.6724 -149052.5041 299.0325 4.5246 35.6863 557962.8325 -5.2221 -5.2450 PRESSURE: 4851600 -53.6968 76.7593 -53.1085 76.7579 55.999 -9.84164 -53.1083 -9.84222 -299.583 GPRESSURE: 4851600 -1.30787 38.5591 -43.7963 72.2558 20.0441 -63.512 -93.1237 16.3792 -229.121 PRESSAVG: 4851600 -3.3694 39.6538 -12.0955 39.6538 14.6248 -13.4389 -12.0955 -13.439 12.9085 GPRESSAVG: 4851600 -2.34512 42.433 -9.26569 38.6961 14.018 -13.0988 -12.5892 -14.1107 13.1717 TIMING: 4851600 CPU: 14047, 0.0028729/step Wall: 14047, 0.0028729/step, 0.118427 hours remaining, 213.363281 MB of memory in use. ENERGY: 4851600 752.9780 2027.9979 1967.5071 110.0509 -205798.7924 17515.2266 0.0000 0.0000 34228.1435 -149196.8884 298.9229 -183425.0319 -149100.4422 299.3105 -99.0936 -70.1281 559322.2095 8.0546 8.2815 PRESSURE: 4851800 -165.478 83.3709 29.1996 83.3695 -40.7514 6.92154 29.1998 6.92223 -10.4314 GPRESSURE: 4851800 -118.445 124.743 34.3417 72.6842 -58.1276 32.6212 28.1903 -36.2403 43.4544 PRESSAVG: 4851800 3.39869 26.2597 -34.2885 26.2597 5.02808 33.5044 -34.2885 33.5044 -14.1029 GPRESSAVG: 4851800 3.76393 24.4062 -36.0191 27.1565 4.98408 33.805 -32.1744 32.7159 -14.4673 TIMING: 4851800 CPU: 14047.6, 0.00287471/step Wall: 14047.6, 0.00287471/step, 0.118342 hours remaining, 213.363281 MB of memory in use. ENERGY: 4851800 739.1473 2039.1507 1947.5424 124.2714 -206080.0359 17775.4127 0.0000 0.0000 34146.9879 -149307.5235 298.2141 -183454.5114 -149206.9756 299.4847 -72.2201 -44.3726 558522.4278 -1.8920 -1.9064 PRESSURE: 4852000 27.631 -68.9204 -151.483 -68.9203 106.111 -112.171 -151.483 -112.171 -2.83155 GPRESSURE: 4852000 38.0627 -22.028 -158.399 -54.3744 139.488 -216.073 -109.718 -64.2296 59.6415 PRESSAVG: 4852000 33.4163 9.39436 -10.3327 9.39441 -46.9956 -18.2395 -10.3326 -18.2396 38.7552 GPRESSAVG: 4852000 32.6471 11.105 -9.43706 8.53343 -46.6581 -18.1219 -11.7851 -16.9023 38.7547 TIMING: 4852000 CPU: 14048.2, 0.00288824/step Wall: 14048.2, 0.00288824/step, 0.118739 hours remaining, 213.363281 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: 4852000 760.6486 2055.2756 1925.3621 123.1478 -206308.5800 17842.9214 0.0000 0.0000 34434.3728 -149166.8518 300.7239 -183601.2246 -149065.1957 299.4603 43.6367 79.0641 555976.6176 8.3920 8.2479 PRESSURE: 4852200 -165.341 1.38998 -70.9004 1.38992 247.54 -5.09703 -70.9008 -5.09669 117.163 GPRESSURE: 4852200 -137.337 4.09341 12.8315 48.2137 269.914 49.8358 -86.6647 41.8765 153.057 PRESSAVG: 4852200 24.3075 -9.52946 -13.5052 -9.52951 15.2382 -7.65709 -13.5052 -7.65709 -52.1188 GPRESSAVG: 4852200 24.6071 -9.93593 -15.8446 -9.37521 14.0566 -8.2205 -12.6298 -8.94631 -51.6755 TIMING: 4852200 CPU: 14048.8, 0.0028783/step Wall: 14048.8, 0.0028783/step, 0.11817 hours remaining, 213.363281 MB of memory in use. ENERGY: 4852200 755.9535 2073.4518 1931.2821 99.1976 -206163.3023 17984.9191 0.0000 0.0000 34198.8163 -149119.6819 298.6668 -183318.4982 -149017.1402 299.5641 66.4540 95.2111 557455.7785 -4.1910 -4.3372 LDB: ============= START OF LOAD BALANCING ============== 14052.2 LDB: ============== END OF LOAD BALANCING =============== 14052.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14052.2 LDB: ============= START OF LOAD BALANCING ============== 14052.4 LDB: Largest compute 4773 load 0.028651 is 24.3% of average load 0.117954 LDB: Average compute 0.001731 is 1.5% of average load 0.117954 LDB: TIME 14052.4 LOAD: AVG 0.117954 MAX 0.178615 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.398 MB LDB: TIME 14052.4 LOAD: AVG 0.117954 MAX 0.178615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.398 MB LDB: TIME 14052.4 LOAD: AVG 0.117954 MAX 0.178615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.398 MB LDB: ============== END OF LOAD BALANCING =============== 14052.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14052.4 PRESSURE: 4852400 -87.2825 -75.1002 -98.1544 -75.1003 2.61974 -80.1406 -98.154 -80.141 172.126 GPRESSURE: 4852400 -52.4306 -71.523 -113.664 -86.8206 39.3171 -45.4995 -153.11 27.3492 197.616 PRESSAVG: 4852400 11.447 -12.0951 -0.930202 -12.095 -70.5387 11.3261 -0.930219 11.326 56.2162 GPRESSAVG: 4852400 10.4238 -13.4658 -2.26964 -11.6214 -69.2995 10.7225 -0.609571 11.8488 56.3192 TIMING: 4852400 CPU: 14049.4, 0.00294238/step Wall: 14049.4, 0.00294238/step, 0.120638 hours remaining, 211.000000 MB of memory in use. ENERGY: 4852400 724.4923 2061.7703 1976.4782 111.7142 -206268.7459 17749.4102 0.0000 0.0000 34225.0826 -149419.7981 298.8962 -183644.8807 -149313.5023 299.0348 29.1546 61.5009 555744.5269 -0.9585 -0.8522 PRESSURE: 4852600 155.402 167.442 20.9016 167.442 -61.0396 198.407 20.903 198.408 55.9887 GPRESSURE: 4852600 171.2 86.6009 41.5775 216.542 1.99936 143.961 10.6915 246.906 71.9275 PRESSAVG: 4852600 -33.2914 6.30173 -26.9713 6.30166 -50.6396 10.8332 -26.9712 10.8332 73.4261 GPRESSAVG: 4852600 -31.5163 8.20369 -26.0585 5.33726 -51.2525 10.8141 -27.7245 11.4854 72.7035 TIMING: 4852600 CPU: 14049.9, 0.00289961/step Wall: 14049.9, 0.00289961/step, 0.118723 hours remaining, 211.000000 MB of memory in use. ENERGY: 4852600 730.3350 2015.1055 1946.5564 103.8992 -206348.2557 17881.5076 0.0000 0.0000 34289.0982 -149381.7538 299.4552 -183670.8520 -149284.6358 299.1189 50.1170 81.7091 556235.2233 -3.5016 -3.3551 PRESSURE: 4852800 375.44 -47.5053 -29.737 -47.5057 54.0434 -126.927 -29.7369 -126.926 -293.852 GPRESSURE: 4852800 423.988 -45.7719 13.0966 32.853 62.5445 -208.225 -65.2057 -91.1306 -246.632 PRESSAVG: 4852800 21.8614 7.74819 29.4592 7.74819 65.6175 -76.5942 29.4593 -76.5943 -47.6469 GPRESSAVG: 4852800 21.3865 4.53482 30.6225 8.82114 66.8481 -74.5915 30.9273 -78.0973 -47.7231 TIMING: 4852800 CPU: 14050.5, 0.00289959/step Wall: 14050.5, 0.00289959/step, 0.118561 hours remaining, 211.000000 MB of memory in use. ENERGY: 4852800 731.8394 2044.0578 1937.1062 109.1417 -206241.9733 17697.1085 0.0000 0.0000 34214.0181 -149508.7015 298.7995 -183722.7196 -149409.9117 298.6452 45.2106 79.9669 556600.7697 13.2773 13.5038 PRESSURE: 4853000 -16.4321 -155.36 248.339 -155.359 -150.913 7.23498 248.339 7.23497 -317.479 GPRESSURE: 4853000 36.2553 -186.298 278.064 -144.039 -81.6144 2.12791 208.162 -16.9027 -327.671 PRESSAVG: 4853000 54.5667 -28.6294 21.6999 -28.6294 31.1548 -68.5616 21.6998 -68.5617 -103.957 GPRESSAVG: 4853000 54.7346 -27.5421 22.013 -27.9957 30.5249 -69.7367 19.5601 -68.4081 -103.312 TIMING: 4853000 CPU: 14051.1, 0.00288864/step Wall: 14051.1, 0.00288864/step, 0.117953 hours remaining, 211.000000 MB of memory in use. ENERGY: 4853000 715.3864 2042.0624 1973.1529 120.0152 -206313.3441 17763.3529 0.0000 0.0000 34254.4486 -149444.9256 299.1526 -183699.3742 -149352.2759 298.2960 -161.6081 -124.3435 557880.1553 -6.0785 -6.0175 PRESSURE: 4853200 -258.032 84.8029 -26.7756 84.8028 -139.27 -9.98909 -26.7763 -9.98968 -275.238 GPRESSURE: 4853200 -194.844 57.1786 38.3636 22.4365 -101.208 24.7743 -117.539 -111.681 -279.213 PRESSAVG: 4853200 85.8593 40.7121 29.1372 40.7121 -12.2463 -0.380731 29.1371 -0.380869 -71.1782 GPRESSAVG: 4853200 85.1873 42.8653 29.5488 38.2024 -11.5982 -0.503708 29.7 0.429257 -71.3093 TIMING: 4853200 CPU: 14051.7, 0.0028817/step Wall: 14051.7, 0.0028817/step, 0.117509 hours remaining, 211.000000 MB of memory in use. ENERGY: 4853200 741.7682 2128.4541 1968.6533 114.1240 -206382.9580 17667.4866 0.0000 0.0000 34329.8951 -149432.5767 299.8115 -183762.4718 -149341.1959 299.6163 -224.1801 -191.7552 557774.3380 0.8116 0.7599 PRESSURE: 4853400 -307.48 9.12127 136.331 9.12 -327.334 -105.441 136.332 -105.441 -200.477 GPRESSURE: 4853400 -288.788 16.0169 150.526 92.8153 -297.602 -173.335 96.934 -81.8307 -142.843 PRESSAVG: 4853400 4.55087 -2.50089 -22.0986 -2.50096 6.24551 5.53185 -22.0985 5.53197 7.22319 GPRESSAVG: 4853400 5.17794 -3.1021 -21.9295 -0.712432 5.20874 5.38665 -21.2686 4.3817 7.59507 TIMING: 4853400 CPU: 14052.2, 0.00289795/step Wall: 14052.2, 0.00289795/step, 0.118011 hours remaining, 211.000000 MB of memory in use. ENERGY: 4853400 719.9104 2132.2825 1933.9169 110.1573 -205822.0493 17420.5261 0.0000 0.0000 34164.2977 -149340.9584 298.3653 -183505.2561 -149247.8979 299.0750 -278.4300 -243.0776 559434.2595 6.0065 5.9939 PRESSURE: 4853600 187.008 -142.037 10.9266 -142.039 275.342 -0.117953 10.9262 -0.117742 -163.106 GPRESSURE: 4853600 209.202 -142.117 -13.6636 -126.3 280.699 52.0748 -3.49893 46.6003 -104.388 PRESSAVG: 4853600 -43.4053 -2.22989 -12.8772 -2.22984 -17.6709 36.3552 -12.8773 36.3551 18.6228 GPRESSAVG: 4853600 -43.1035 -2.17436 -15.6039 -1.19446 -18.4247 35.1264 -13.0735 38.634 19.2127 TIMING: 4853600 CPU: 14052.8, 0.00290824/step Wall: 14052.8, 0.00290824/step, 0.118269 hours remaining, 211.000000 MB of memory in use. ENERGY: 4853600 746.9335 2071.2015 1934.5406 109.6283 -206485.6305 18176.0406 0.0000 0.0000 34115.3365 -149331.9496 297.9377 -183447.2861 -149234.9851 299.5158 99.7479 128.5042 557580.7560 -14.1511 -14.1052 PRESSURE: 4853800 -2.77579 -44.6099 -36.5179 -44.6096 -28.8259 -211.609 -36.5189 -211.61 -4.66034 GPRESSURE: 4853800 -49.3471 -38.3779 -68.7098 -127.896 -7.66682 -211.911 -15.7135 -132.274 113.905 PRESSAVG: 4853800 -17.0093 -24.3736 41.5666 -24.3734 52.0412 -14.3664 41.5666 -14.3663 -30.8794 GPRESSAVG: 4853800 -17.4457 -25.5909 45.3645 -24.2398 52.5316 -12.9695 40.9041 -16.3932 -30.9768 TIMING: 4853800 CPU: 14053.4, 0.0029014/step Wall: 14053.4, 0.0029014/step, 0.117829 hours remaining, 211.000000 MB of memory in use. ENERGY: 4853800 754.0401 2126.9561 1955.4710 107.5759 -206197.1612 17781.3237 0.0000 0.0000 34444.3544 -149027.4401 300.8111 -183471.7945 -148924.2624 299.5177 -12.0873 18.9639 557569.0052 1.3841 1.3697 PRESSURE: 4854000 -261.75 -131.983 -66.3059 -131.983 -120.971 160.808 -66.3049 160.807 -342.997 GPRESSURE: 4854000 -202.565 -194.105 -53.3343 -64.452 -78.6721 99.3818 -30.7506 302.532 -354.305 PRESSAVG: 4854000 -20.479 -35.7014 43.8494 -35.7014 26.9827 13.2414 43.8495 13.2412 -19.5952 GPRESSAVG: 4854000 -20.1497 -34.7384 42.14 -36.7264 26.5823 12.7271 41.9863 13.8024 -19.7004 TIMING: 4854000 CPU: 14054, 0.00287822/step Wall: 14054, 0.00287822/step, 0.116728 hours remaining, 211.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4854000 765.9091 2087.0568 1954.7259 112.2983 -205666.0774 17377.9297 0.0000 0.0000 34290.3630 -149077.7946 299.4663 -183368.1577 -148975.1346 299.5901 -241.9060 -211.8473 558286.4923 -4.3638 -4.4226 PRESSURE: 4854200 178.489 76.9725 -102.759 76.9725 38.7976 -85.6936 -102.761 -85.6934 -178.274 GPRESSURE: 4854200 209.724 120.667 -50.0896 28.5758 53.2357 -117.343 -195.45 -125.199 -124.246 PRESSAVG: 4854200 -13.5222 10.7372 1.07355 10.7372 33.1733 -21.8407 1.07349 -21.8407 -13.2904 GPRESSAVG: 4854200 -13.2987 12.5002 0.979402 10.111 33.3127 -21.4664 4.50481 -22.3441 -13.3872 TIMING: 4854200 CPU: 14054.6, 0.00288398/step Wall: 14054.6, 0.00288398/step, 0.116801 hours remaining, 211.000000 MB of memory in use. ENERGY: 4854200 704.2712 2062.4769 1971.2802 114.6121 -206299.0691 17798.7194 0.0000 0.0000 34487.2401 -149160.4692 301.1856 -183647.7093 -149060.3495 299.7723 13.0042 46.2380 556873.1669 2.1202 2.2090 PRESSURE: 4854400 -309.613 -33.523 -293.097 -33.5232 -35.9197 -155.255 -293.098 -155.255 126.374 GPRESSURE: 4854400 -278.925 -52.302 -288.039 -89.6514 46.0573 -163.576 -310.428 -133.797 129.493 PRESSAVG: 4854400 61.8445 38.9722 -35.7212 38.9722 -66.5447 -35.1408 -35.7211 -35.1409 0.822229 GPRESSAVG: 4854400 62.253 38.4695 -35.6343 36.6982 -66.226 -35.403 -36.4484 -34.1305 -0.0371756 TIMING: 4854400 CPU: 14055.1, 0.00288012/step Wall: 14055.1, 0.00288012/step, 0.116485 hours remaining, 211.000000 MB of memory in use. ENERGY: 4854400 724.1308 2079.9337 1984.0798 111.8463 -206122.0243 17596.2288 0.0000 0.0000 34381.2892 -149244.5157 300.2603 -183625.8049 -149138.6535 299.8532 -73.0527 -34.4582 555566.6878 -1.2927 -1.3367 PRESSURE: 4854600 241.823 3.02498 -46.4356 3.02661 140.229 -312.348 -46.4347 -312.348 266.541 GPRESSURE: 4854600 312.337 -21.1529 -19.5347 27.0579 150.416 -362.122 13.8002 -242.437 292.079 PRESSAVG: 4854600 -28.3551 -14.8483 -3.62679 -14.8483 -46.4444 -20.7872 -3.6267 -20.7871 100.428 GPRESSAVG: 4854600 -29.3651 -16.7774 -3.17003 -12.3111 -47.4527 -22.9464 -2.54778 -20.8072 102.696 TIMING: 4854600 CPU: 14055.7, 0.00289392/step Wall: 14055.7, 0.00289392/step, 0.116882 hours remaining, 211.000000 MB of memory in use. ENERGY: 4854600 757.7953 2154.7201 1963.3953 114.1509 -206495.7307 18036.1128 0.0000 0.0000 34342.1242 -149127.4321 299.9183 -183469.5563 -149035.1730 299.2775 216.1976 251.6106 555277.0942 8.5427 8.6259 PRESSURE: 4854800 103.183 227.724 9.69592 227.724 -43.4279 48.3863 9.6961 48.3866 72.311 GPRESSURE: 4854800 133.56 149.638 -83.5342 367.691 -24.4399 108.233 20.5847 9.35479 114.383 PRESSAVG: 4854800 62.3709 36.9593 25.3111 36.9593 -5.08627 -5.62082 25.3111 -5.62092 14.3424 GPRESSAVG: 4854800 62.6826 36.8664 22.3888 37.3845 -5.05749 -5.69543 24.7058 -5.07038 13.9844 TIMING: 4854800 CPU: 14056.3, 0.00289637/step Wall: 14056.3, 0.00289637/step, 0.11682 hours remaining, 211.000000 MB of memory in use. ENERGY: 4854800 730.4126 2109.7147 1945.8023 109.4642 -206323.8983 17717.7986 0.0000 0.0000 34479.2073 -149231.4985 301.1155 -183710.7058 -149126.8678 299.2330 44.0219 74.5012 557047.7049 23.8757 23.8698 PRESSURE: 4855000 -21.1846 -112.142 -17.3045 -112.143 87.1152 -27.2945 -17.3049 -27.2953 -189.464 GPRESSURE: 4855000 -17.4271 -29.8583 3.41542 -151.5 92.1815 -99.3992 -15.6366 -68.4803 -103.674 PRESSAVG: 4855000 39.2748 -33.6323 51.9026 -33.6322 -14.3271 4.84529 51.9026 4.84544 -33.4909 GPRESSAVG: 4855000 39.7396 -31.701 55.1079 -34.8268 -13.7043 5.1271 50.0151 5.97179 -34.0617 TIMING: 4855000 CPU: 14056.9, 0.00288776/step Wall: 14056.9, 0.00288776/step, 0.116313 hours remaining, 211.000000 MB of memory in use. ENERGY: 4855000 747.6811 2058.2916 1955.2088 109.3965 -206353.3417 17801.5120 0.0000 0.0000 34258.2425 -149423.0093 299.1858 -183681.2518 -149329.0485 299.8005 -41.1779 -9.6398 558124.0233 -2.8477 -2.6755 PRESSURE: 4855200 132.244 15.8484 154.667 15.8475 83.023 229.158 154.666 229.156 22.6172 GPRESSURE: 4855200 152.818 -35.9911 134.111 55.1729 96.1034 242.982 170.225 206.939 95.8691 PRESSAVG: 4855200 -36.7732 -16.815 18.0403 -16.8149 -0.948348 -4.94495 18.0402 -4.94482 -18.9949 GPRESSAVG: 4855200 -37.3434 -17.5294 16.12 -18.594 0.0656681 -4.4423 19.979 -6.39394 -19.507 TIMING: 4855200 CPU: 14057.5, 0.00289235/step Wall: 14057.5, 0.00289235/step, 0.116337 hours remaining, 211.000000 MB of memory in use. ENERGY: 4855200 789.5988 2047.0061 1920.0321 113.3651 -206866.5183 18098.0993 0.0000 0.0000 34353.8924 -149544.5245 300.0211 -183898.4168 -149440.7336 298.5281 79.2946 114.9302 555729.3722 -18.9055 -18.9283 PRESSURE: 4855400 -182.376 102.151 -30.1296 102.151 -72.7902 52.6591 -30.1304 52.6612 -266.429 GPRESSURE: 4855400 -129.549 118.915 42.315 81.9662 -98.211 65.1298 -21.1741 92.2199 -199.028 PRESSAVG: 4855400 30.436 4.62086 9.4129 4.62087 -85.0928 21.327 9.41279 21.3268 23.7364 GPRESSAVG: 4855400 31.0433 3.04677 10.314 6.03883 -86.1263 22.0216 8.87329 20.8421 24.0952 TIMING: 4855400 CPU: 14058, 0.00289387/step Wall: 14058, 0.00289387/step, 0.116237 hours remaining, 211.000000 MB of memory in use. ENERGY: 4855400 715.1219 2083.1815 1953.0322 124.3466 -206015.8496 17666.2638 0.0000 0.0000 34120.8166 -149353.0871 297.9856 -183473.9037 -149255.3156 298.8139 -173.8652 -142.2627 558231.6378 -10.3068 -10.3293 PRESSURE: 4855600 -163.977 -41.3281 2.7613 -41.3257 -139.84 103.048 2.76168 103.047 -182.418 GPRESSURE: 4855600 -197.549 42.5299 45.9887 -4.98244 -4.16006 67.7829 -73.3583 82.4593 -187.487 PRESSAVG: 4855600 14.6203 -4.54615 -23.5815 -4.54607 -10.1999 -16.0177 -23.5814 -16.0177 -37.3354 GPRESSAVG: 4855600 13.8661 -3.44894 -24.36 -3.30647 -9.2252 -17.8624 -22.786 -15.6595 -37.2034 TIMING: 4855600 CPU: 14058.6, 0.00287398/step Wall: 14058.6, 0.00287399/step, 0.115279 hours remaining, 211.000000 MB of memory in use. ENERGY: 4855600 769.0400 2108.4612 1957.0293 112.7886 -206198.0005 17766.6817 0.0000 0.0000 34106.0193 -149377.9805 297.8563 -183483.9997 -149279.5596 298.6018 -162.0787 -129.7322 559468.2018 -10.9717 -10.8542 PRESSURE: 4855800 78.292 22.4334 120.031 22.4344 74.7843 -45.1959 120.032 -45.1978 -35.5395 GPRESSURE: 4855800 73.31 13.4753 138.906 79.3064 152.708 -47.3765 132.971 19.0264 -4.6847 PRESSAVG: 4855800 -29.4984 10.1027 9.23628 10.1028 -11.8307 36.0913 9.23623 36.0913 19.6438 GPRESSAVG: 4855800 -27.4145 8.20127 10.2462 9.02319 -13.3998 37.5592 9.22443 35.9049 18.9349 TIMING: 4855800 CPU: 14059.2, 0.00290672/step Wall: 14059.2, 0.00290672/step, 0.11643 hours remaining, 211.000000 MB of memory in use. ENERGY: 4855800 716.3552 2043.0878 1935.7104 102.3740 -206348.6267 17957.0883 0.0000 0.0000 34330.8490 -149263.1621 299.8198 -183594.0111 -149161.2310 299.4474 39.1789 73.7776 557152.9345 -7.2284 -7.2931 PRESSURE: 4856000 -73.3387 -56.162 -130.53 -56.1618 -6.29119 210.498 -130.529 210.497 89.1641 GPRESSURE: 4856000 -50.8809 -36.1321 -81.7406 -77.5307 24.1361 222.947 -115.77 123.58 138.351 PRESSAVG: 4856000 1.80957 -14.2375 -36.9096 -14.2375 -11.9799 -7.16296 -36.9096 -7.16295 6.9864 GPRESSAVG: 4856000 0.788603 -14.1278 -39.6627 -12.4003 -10.7606 -6.5214 -35.9737 -9.85698 6.85148 TIMING: 4856000 CPU: 14059.8, 0.0028919/step Wall: 14059.8, 0.0028919/step, 0.115676 hours remaining, 211.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4856000 711.2956 2047.4656 1965.3507 103.2689 -205976.4432 17680.2211 0.0000 0.0000 34291.0865 -149177.7549 299.4726 -183468.8414 -149081.8583 299.7924 3.1781 37.2020 556217.7934 -1.0613 -1.0402 PRESSURE: 4856200 172.801 129.557 88.3073 129.557 198.346 -60.5885 88.3072 -60.5897 -307.521 GPRESSURE: 4856200 207.443 122.963 75.2259 87.0405 209.323 -87.5631 53.4473 64.0241 -262.368 PRESSAVG: 4856200 56.3937 45.5707 -22.8825 45.5708 -29.5821 20.4819 -22.8824 20.4819 19.6328 GPRESSAVG: 4856200 56.1759 46.6057 -19.2884 43.607 -30.488 19.6592 -24.5773 21.1044 20.412 TIMING: 4856200 CPU: 14060.3, 0.0028982/step Wall: 14060.3, 0.0028982/step, 0.115767 hours remaining, 211.000000 MB of memory in use. ENERGY: 4856200 762.5159 2089.4513 1947.7009 119.2848 -206383.8849 17910.8163 0.0000 0.0000 34147.9004 -149406.2154 298.2221 -183554.1158 -149313.8489 299.4768 21.2087 51.4660 555702.1128 15.4815 15.3666 LDB: ============= START OF LOAD BALANCING ============== 14063.7 LDB: ============== END OF LOAD BALANCING =============== 14063.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14063.7 LDB: ============= START OF LOAD BALANCING ============== 14064 LDB: Largest compute 4773 load 0.027828 is 23.6% of average load 0.118043 LDB: Average compute 0.001724 is 1.5% of average load 0.118043 LDB: TIME 14064 LOAD: AVG 0.118043 MAX 0.178615 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.535 MB LDB: TIME 14064 LOAD: AVG 0.118043 MAX 0.178615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.734 MB LDB: TIME 14064 LOAD: AVG 0.118043 MAX 0.178615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14064 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14064 PRESSURE: 4856400 -374.577 116.42 -17.9803 116.42 129.284 -121.054 -17.9799 -121.054 -64.1874 GPRESSURE: 4856400 -313.88 127.233 -9.97385 55.6034 138.662 -123.015 -77.5886 -69.523 -37.6999 PRESSAVG: 4856400 79.2055 13.3789 13.6781 13.379 -39.6731 -23.273 13.6781 -23.273 -46.291 GPRESSAVG: 4856400 80.1585 13.2818 11.1499 13.8984 -39.7235 -23.1603 14.8201 -20.5002 -47.2671 TIMING: 4856400 CPU: 14060.9, 0.00296957/step Wall: 14060.9, 0.00296957/step, 0.118453 hours remaining, 211.000000 MB of memory in use. ENERGY: 4856400 761.7967 2066.5173 1939.7688 98.1902 -206249.2935 17794.3979 0.0000 0.0000 34164.6489 -149423.9735 298.3684 -183588.6224 -149325.5566 298.3376 -103.1600 -70.9724 557384.0640 -2.2529 -2.2774 PRESSURE: 4856600 -77.0778 155.502 -12.806 155.502 64.4056 39.373 -12.8062 39.3729 -170.101 GPRESSURE: 4856600 -43.0368 84.5609 -76.7329 151.594 95.2248 121.889 14.981 81.0396 -143.453 PRESSAVG: 4856600 -4.22358 46.1745 -0.177427 46.1746 69.493 -38.573 -0.177348 -38.5729 -10.8065 GPRESSAVG: 4856600 -5.39586 47.2633 1.3054 45.7098 69.7453 -37.9978 0.760983 -40.7042 -9.95722 TIMING: 4856600 CPU: 14061.5, 0.00289702/step Wall: 14061.5, 0.00289702/step, 0.115398 hours remaining, 211.000000 MB of memory in use. ENERGY: 4856600 757.5866 2100.1255 1952.1524 111.7294 -206294.7359 17735.9514 0.0000 0.0000 34140.0686 -149497.1220 298.1537 -183637.1906 -149403.4111 298.6325 -60.9245 -30.4216 557450.0056 18.1543 18.1307 PRESSURE: 4856800 -187.449 -149.98 14.8501 -149.98 -55.4343 -87.7949 14.8505 -87.7963 -231.147 GPRESSURE: 4856800 -187.4 -132.646 -59.3743 -138.159 12.8147 -21.3128 21.1799 -129.961 -208.546 PRESSAVG: 4856800 -10.0678 -18.3049 -14.7491 -18.305 -21.8417 13.1973 -14.7491 13.1973 -11.3187 GPRESSAVG: 4856800 -9.77886 -18.8398 -16.1966 -17.6081 -21.5826 12.669 -17.3012 11.5395 -11.5594 TIMING: 4856800 CPU: 14062.1, 0.0028809/step Wall: 14062.1, 0.0028809/step, 0.114596 hours remaining, 211.000000 MB of memory in use. ENERGY: 4856800 761.6176 2135.0951 1965.8790 108.1627 -206400.0442 17631.4088 0.0000 0.0000 34191.9592 -149605.9218 298.6069 -183797.8810 -149510.1757 298.7489 -158.0100 -127.7107 555819.5363 -14.4094 -14.3070 PRESSURE: 4857000 -17.5042 -65.3974 -127.413 -65.3972 15.5943 -18.1234 -127.414 -18.1227 -182.251 GPRESSURE: 4857000 -2.80192 -80.7499 -101.944 -46.0384 41.3182 44.2869 -174.783 -37.0512 -132.141 PRESSAVG: 4857000 -7.79872 -32.1442 -60.8117 -32.1441 17.2274 -3.30023 -60.8117 -3.30018 -5.83814 GPRESSAVG: 4857000 -8.68338 -32.2162 -60.6961 -31.5111 17.0858 -4.80739 -58.7468 -1.59106 -5.21166 TIMING: 4857000 CPU: 14062.7, 0.00288588/step Wall: 14062.7, 0.00288588/step, 0.114633 hours remaining, 211.000000 MB of memory in use. ENERGY: 4857000 767.6271 2109.2026 1974.6337 120.6583 -206503.8841 17817.2661 0.0000 0.0000 34394.8409 -149319.6555 300.3787 -183714.4963 -149215.6504 298.6692 -61.3869 -31.2083 554853.2896 1.1969 1.0636 PRESSURE: 4857200 148.389 -38.5372 -36.5345 -38.538 -192.306 -6.20563 -36.5352 -6.20754 -97.3319 GPRESSURE: 4857200 189.411 7.96529 -139.044 -77.3687 -184.236 -22.8108 39.829 -79.9307 -47.6028 PRESSAVG: 4857200 -5.60536 -38.8537 -17.8886 -38.8536 -17.744 -16.6113 -17.8886 -16.6112 12.8248 GPRESSAVG: 4857200 -3.57915 -38.2284 -15.7175 -39.8521 -17.6428 -15.6279 -18.9588 -15.7191 10.4404 TIMING: 4857200 CPU: 14063.2, 0.00289092/step Wall: 14063.2, 0.00289092/step, 0.114673 hours remaining, 211.000000 MB of memory in use. ENERGY: 4857200 755.8031 2145.3859 1964.5002 127.2394 -206479.5765 17670.2513 0.0000 0.0000 34380.6401 -149435.7566 300.2547 -183816.3966 -149346.6298 299.8443 -47.0829 -14.1425 555454.6408 -3.5082 -3.5938 PRESSURE: 4857400 78.8135 8.93289 -93.7465 8.93236 39.7912 -119.145 -93.7477 -119.145 -160.577 GPRESSURE: 4857400 57.0068 -41.9411 -4.21584 36.9639 94.6095 -111.693 -127.405 -206.078 -89.0965 PRESSAVG: 4857400 -32.4702 -25.9313 -36.5696 -25.9314 -11.6343 3.4535 -36.5696 3.45345 41.7856 GPRESSAVG: 4857400 -32.047 -25.8586 -37.237 -26.3566 -12.9819 2.78 -36.8275 3.29313 42.5436 TIMING: 4857400 CPU: 14063.8, 0.00290485/step Wall: 14063.8, 0.00290485/step, 0.115064 hours remaining, 211.000000 MB of memory in use. ENERGY: 4857400 749.5169 2161.9049 1989.4498 123.3180 -206309.5186 17727.5686 0.0000 0.0000 34111.1719 -149446.5885 297.9013 -183557.7604 -149357.6882 299.2845 -13.9909 20.8399 556926.5784 -0.7730 -0.8284 PRESSURE: 4857600 212.708 2.55672 78.5129 2.5555 60.2671 110.892 78.5125 110.892 67.5406 GPRESSURE: 4857600 215.491 143.813 154.661 -104.446 128.685 119.162 53.7494 153.483 107.467 PRESSAVG: 4857600 12.1602 -47.3485 -12.8805 -47.3485 -27.5138 -46.5179 -12.8805 -46.5178 -4.86222 GPRESSAVG: 4857600 10.8616 -46.1338 -12.2981 -47.1717 -27.5748 -45.41 -12.4651 -46.4711 -3.70093 TIMING: 4857600 CPU: 14064.4, 0.00290509/step Wall: 14064.4, 0.00290509/step, 0.114913 hours remaining, 211.000000 MB of memory in use. ENERGY: 4857600 765.4630 2101.6793 1953.7642 129.1763 -206720.3210 17969.1050 0.0000 0.0000 34233.2295 -149567.9038 298.9673 -183801.1332 -149472.2422 298.3207 113.5053 150.5477 557048.3819 -6.7386 -6.8047 PRESSURE: 4857800 20.1437 -70.5725 -155.692 -70.5727 16.9254 60.6093 -155.692 60.6093 -451.41 GPRESSURE: 4857800 115.725 12.726 -178.31 -28.2321 -21.4632 -7.02696 -134.577 70.7488 -406.378 PRESSAVG: 4857800 4.14298 26.6825 0.0240132 26.6825 -4.76164 -6.72284 0.0239514 -6.72266 15.8166 GPRESSAVG: 4857800 5.51993 26.0537 0.0946495 26.948 -4.65123 -6.66455 -1.00473 -7.41073 14.6063 TIMING: 4857800 CPU: 14065, 0.00290282/step Wall: 14065, 0.00290282/step, 0.114661 hours remaining, 211.000000 MB of memory in use. ENERGY: 4857800 723.2970 2117.4550 1969.4339 107.8122 -206333.7085 17505.8971 0.0000 0.0000 34285.0314 -149624.7820 299.4197 -183909.8134 -149528.7298 298.4520 -138.1136 -104.0387 557681.9490 5.0660 5.1583 PRESSURE: 4858000 -116.779 -99.9159 -47.3858 -99.9162 -503.277 -123.954 -47.3855 -123.955 -59.8123 GPRESSURE: 4858000 -57.8745 -81.8243 -44.8662 -139.59 -440.308 -100.336 -43.1205 -18.6761 -84.7305 PRESSAVG: 4858000 29.6571 8.23022 -28.53 8.23012 -8.88119 -3.0151 -28.53 -3.01505 58.5555 GPRESSAVG: 4858000 28.0385 9.22878 -30.3761 7.82371 -7.46933 -2.53304 -27.6382 -1.70938 58.9671 TIMING: 4858000 CPU: 14065.6, 0.00289518/step Wall: 14065.6, 0.00289518/step, 0.114199 hours remaining, 211.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4858000 763.4307 2154.6497 1968.8422 110.6886 -205837.8545 17256.1321 0.0000 0.0000 34142.2415 -149441.8697 298.1727 -183584.1112 -149347.4622 297.8201 -226.6227 -194.3042 555986.4374 26.4438 26.5121 PRESSURE: 4858200 -30.2993 64.3101 27.2812 64.3092 237.308 294.511 27.2807 294.513 206.539 GPRESSURE: 4858200 -5.79716 56.6027 97.3854 37.6925 262.311 302.549 -29.7948 241.921 256.707 PRESSAVG: 4858200 -46.9835 -0.735535 48.4548 -0.735568 -12.4141 -38.9257 48.4548 -38.9257 37.2601 GPRESSAVG: 4858200 -46.806 -3.21981 48.8394 1.41018 -12.4668 -40.0328 46.8744 -39.4593 37.4183 TIMING: 4858200 CPU: 14066.2, 0.00291595/step Wall: 14066.2, 0.00291595/step, 0.114856 hours remaining, 211.000000 MB of memory in use. ENERGY: 4858200 777.0877 2068.9495 1960.6271 131.5862 -206558.6570 17995.1199 0.0000 0.0000 34076.7719 -149548.5147 297.6009 -183625.2866 -149451.1430 298.2683 137.8493 171.0738 554897.4794 -7.3791 -7.2848 PRESSURE: 4858400 -121.329 51.4205 27.6614 51.4202 142.222 -47.8475 27.6613 -47.8479 135.513 GPRESSURE: 4858400 -46.2586 128.529 72.5332 -46.6026 150.061 -50.176 19.2514 2.34148 165.504 PRESSAVG: 4858400 -43.1691 84.8684 21.2096 84.8684 -37.7772 73.0682 21.2096 73.0682 59.2986 GPRESSAVG: 4858400 -43.2579 85.8885 19.2393 82.7525 -38.6255 74.3867 22.429 72.7178 59.815 TIMING: 4858400 CPU: 14066.7, 0.00288781/step Wall: 14066.7, 0.0028878/step, 0.113587 hours remaining, 211.000000 MB of memory in use. ENERGY: 4858400 735.5574 2073.9002 1958.8045 109.3327 -206492.9758 17906.9348 0.0000 0.0000 34139.2689 -149569.1773 298.1467 -183708.4463 -149473.4709 298.3244 52.1353 89.7688 556484.4157 -7.2159 -7.3561 PRESSURE: 4858600 -61.0232 -141.614 -111.069 -141.613 -218.1 -61.5118 -111.068 -61.5125 -96.4607 GPRESSURE: 4858600 -3.33917 -137.292 -51.5338 -140.762 -186.569 -42.6273 -128.365 -46.9503 -71.2852 PRESSAVG: 4858600 -30.5313 72.394 -42.469 72.3941 -30.5663 8.82565 -42.469 8.82564 14.2336 GPRESSAVG: 4858600 -29.6475 70.4759 -39.0544 74.0165 -30.1233 7.32961 -43.4395 8.07316 12.6041 TIMING: 4858600 CPU: 14067.3, 0.00289344/step Wall: 14067.3, 0.00289344/step, 0.113648 hours remaining, 211.000000 MB of memory in use. ENERGY: 4858600 752.5385 2115.7692 1935.1190 112.9619 -205818.8941 17360.8983 0.0000 0.0000 33976.8152 -149564.7919 296.7280 -183541.6072 -149468.3746 298.7379 -125.1945 -87.0643 556534.7112 -15.6213 -15.7223 PRESSURE: 4858800 -136.594 51.6163 -30.585 51.6157 -287.365 -87.2606 -30.5847 -87.2591 -127.892 GPRESSURE: 4858800 -108.661 111.61 -48.7202 -29.8554 -218.648 -123.408 6.26501 -78.6354 -136.489 PRESSAVG: 4858800 -52.3843 66.6978 -23.9608 66.6978 27.7734 -24.7488 -23.9608 -24.7488 27.4268 GPRESSAVG: 4858800 -53.5757 66.742 -26.3843 66.6053 27.7684 -23.584 -22.5601 -25.1659 29.1676 TIMING: 4858800 CPU: 14067.9, 0.00291928/step Wall: 14067.9, 0.00291928/step, 0.1145 hours remaining, 211.000000 MB of memory in use. ENERGY: 4858800 766.8968 2096.2454 1943.1664 120.4420 -206179.3353 17516.6577 0.0000 0.0000 34221.8779 -149514.0491 298.8682 -183735.9270 -149410.5000 298.3202 -183.9501 -154.5991 557028.9274 0.9386 1.1201 PRESSURE: 4859000 -109.747 -115.19 63.636 -115.191 -204.984 126.053 63.6364 126.051 -394.681 GPRESSURE: 4859000 -75.378 -12.0009 0.692953 -90.3304 -197.688 185.731 164.402 50.3069 -352.434 PRESSAVG: 4859000 -4.02463 90.4468 21.9542 90.4469 -20.4144 36.277 21.9543 36.277 20.866 GPRESSAVG: 4859000 -4.52363 90.4897 23.6753 88.9879 -21.0176 36.8124 20.7638 37.1276 21.4852 TIMING: 4859000 CPU: 14068.5, 0.00291001/step Wall: 14068.5, 0.00291001/step, 0.113975 hours remaining, 211.199219 MB of memory in use. ENERGY: 4859000 782.5857 2034.4674 1982.7863 112.5215 -206167.9377 17505.4581 0.0000 0.0000 34291.9015 -149458.2172 299.4797 -183750.1187 -149357.1214 298.8272 -236.4708 -208.5001 556578.1406 -1.1910 -1.3520 PRESSURE: 4859200 -96.5064 -60.9631 -12.0301 -60.9635 -135.192 22.8635 -12.0292 22.8631 -304.464 GPRESSURE: 4859200 -89.7905 -121.446 -8.58932 19.3003 -118.215 -50.9912 -54.6755 46.4643 -232.82 PRESSAVG: 4859200 -4.01195 -40.2263 -16.4031 -40.2263 -33.5587 11.4828 -16.403 11.4828 -22.628 GPRESSAVG: 4859200 -3.09037 -40.5884 -16.2673 -37.7985 -32.3552 11.6536 -16.1946 12.004 -24.6347 TIMING: 4859200 CPU: 14069.1, 0.00291057/step Wall: 14069.1, 0.00291057/step, 0.113836 hours remaining, 211.199219 MB of memory in use. ENERGY: 4859200 745.1635 2088.8843 1958.8857 114.5648 -206289.3846 17651.7819 0.0000 0.0000 34313.2060 -149416.8985 299.6658 -183730.1044 -149315.4268 298.8748 -178.7209 -146.9418 556198.6130 -20.0662 -20.0268 PRESSURE: 4859400 27.0839 -79.5881 43.0519 -79.5875 260.559 -13.0973 43.0514 -13.0965 211.484 GPRESSURE: 4859400 49.5202 -57.4042 -88.3411 9.25272 336.918 -42.2821 111.775 -53.8584 210.713 PRESSAVG: 4859400 15.618 -23.932 -25.9715 -23.932 -33.2876 -24.7449 -25.9714 -24.7449 70.6291 GPRESSAVG: 4859400 15.3998 -22.913 -25.7173 -24.681 -33.7155 -25.2695 -25.7977 -24.8631 71.4113 TIMING: 4859400 CPU: 14069.6, 0.00289986/step Wall: 14069.6, 0.00289986/step, 0.113255 hours remaining, 211.199219 MB of memory in use. ENERGY: 4859400 751.7652 2073.9194 1938.4145 110.5013 -206878.5321 18131.6809 0.0000 0.0000 34367.4469 -149504.8040 300.1395 -183872.2508 -149410.9869 298.7143 166.3756 199.0506 556338.8719 17.6532 17.6985 PRESSURE: 4859600 -164.953 19.8304 206.7 19.8311 41.3269 -68.8871 206.698 -68.8875 -147.927 GPRESSURE: 4859600 -117.504 100.946 132.972 -24.2712 23.8236 -73.5257 196.453 -51.1892 -79.7405 PRESSAVG: 4859600 -5.21117 -66.3363 -16.1795 -66.3364 31.9054 32.5949 -16.1795 32.595 20.405 GPRESSAVG: 4859600 -5.0125 -66.8832 -15.8125 -65.5427 31.8927 32.4693 -17.633 31.7509 20.2889 TIMING: 4859600 CPU: 14070.2, 0.00291843/step Wall: 14070.2, 0.00291843/step, 0.113819 hours remaining, 211.199219 MB of memory in use. ENERGY: 4859600 726.7799 2005.4499 1953.5632 112.4486 -206004.0812 17632.2138 0.0000 0.0000 34035.9513 -149537.6745 297.2444 -183573.6258 -149444.4976 298.3742 -90.5178 -57.8071 558498.0101 15.6997 15.7230 PRESSURE: 4859800 4.27844 76.5268 78.0876 76.5271 -275.337 132.936 78.0888 132.935 -14.5624 GPRESSURE: 4859800 2.4636 132.884 114.443 -1.87504 -247.631 85.7767 62.5392 251.381 68.049 PRESSAVG: 4859800 -67.8458 -30.1746 8.92825 -30.1746 -57.3502 -15.2835 8.92831 -15.2835 80.6324 GPRESSAVG: 4859800 -68.6154 -29.3856 10.2939 -30.3463 -55.7944 -14.7435 11.0833 -12.9456 80.076 TIMING: 4859800 CPU: 14070.8, 0.00291937/step Wall: 14070.8, 0.00291937/step, 0.113693 hours remaining, 211.199219 MB of memory in use. ENERGY: 4859800 755.9244 2086.4005 1939.7243 124.4442 -206266.6222 17657.3914 0.0000 0.0000 34219.8639 -149482.8735 298.8506 -183702.7374 -149388.6081 297.6728 -95.2069 -59.0395 557429.3384 -14.8545 -14.7779 PRESSURE: 4860000 -137.176 46.9514 -253.791 46.9504 -409.696 -13.575 -253.79 -13.5753 -136.287 GPRESSURE: 4860000 -116.101 62.6836 -149.248 -9.79682 -342.436 -126.661 -253.873 112.685 -138.412 PRESSAVG: 4860000 28.6881 -43.4229 -37.6494 -43.423 -56.622 -2.26988 -37.6494 -2.26976 -18.585 GPRESSAVG: 4860000 29.949 -45.0866 -40.3484 -42.4748 -58.1992 -3.3551 -38.7425 -3.87003 -17.9798 TIMING: 4860000 CPU: 14071.4, 0.00289296/step Wall: 14071.4, 0.00289296/step, 0.112504 hours remaining, 211.199219 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: 4860000 758.0528 2089.1979 1940.3479 118.0089 -206126.3415 17500.3897 0.0000 0.0000 34081.2745 -149639.0700 297.6402 -183720.3445 -149543.5572 298.3427 -227.7196 -198.9832 556766.5645 -15.5063 -15.4100 PRESSURE: 4860200 -51.2178 22.9283 -126.69 22.9271 -152.014 -102.283 -126.69 -102.282 -103.655 GPRESSURE: 4860200 -12.1496 79.0482 -114.12 55.9141 -117.754 -131.988 -78.4004 -94.6427 -93.8904 PRESSAVG: 4860200 -1.92696 16.8097 -21.2122 16.8097 25.5206 18.2779 -21.2121 18.2779 15.5753 GPRESSAVG: 4860200 -2.94023 17.552 -19.9848 16.4514 26.5274 17.0753 -22.1079 19.2692 15.8757 TIMING: 4860200 CPU: 14072, 0.00290633/step Wall: 14072, 0.00290633/step, 0.112862 hours remaining, 211.199219 MB of memory in use. ENERGY: 4860200 755.0346 2118.4437 1941.6584 116.7660 -206457.8335 17728.2257 0.0000 0.0000 34208.7621 -149588.9430 298.7536 -183797.7050 -149495.8511 298.2873 -102.2958 -74.5982 557252.0472 13.0563 13.1543 LDB: ============= START OF LOAD BALANCING ============== 14075.4 LDB: ============== END OF LOAD BALANCING =============== 14075.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14075.4 LDB: ============= START OF LOAD BALANCING ============== 14075.6 LDB: Largest compute 4773 load 0.029008 is 24.6% of average load 0.117937 LDB: Average compute 0.001732 is 1.5% of average load 0.117937 LDB: TIME 14075.6 LOAD: AVG 0.117937 MAX 0.177177 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.793 MB LDB: TIME 14075.6 LOAD: AVG 0.117937 MAX 0.177177 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.992 MB LDB: TIME 14075.6 LOAD: AVG 0.117937 MAX 0.177177 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.992 MB LDB: ============== END OF LOAD BALANCING =============== 14075.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14075.7 PRESSURE: 4860400 -149.405 0.192997 -287.431 0.193011 -302.061 174.636 -287.43 174.637 -95.0628 GPRESSURE: 4860400 -89.9828 119.615 -229.563 14.7525 -253.552 96.5751 -269.774 197.929 -117.969 PRESSAVG: 4860400 33.3002 44.0017 -54.6047 44.0017 -33.2353 32.8521 -54.6047 32.852 16.9555 GPRESSAVG: 4860400 32.5244 45.444 -54.7513 43.5706 -33.1335 32.6901 -56.6327 32.1916 17.3405 TIMING: 4860400 CPU: 14072.6, 0.00296728/step Wall: 14072.6, 0.00296728/step, 0.115064 hours remaining, 212.281250 MB of memory in use. ENERGY: 4860400 750.5582 2057.8251 1944.1674 117.8544 -206552.2490 17622.5232 0.0000 0.0000 34422.0520 -149637.2687 300.6163 -184059.3208 -149533.4697 298.2067 -182.1760 -153.8344 556617.7591 5.6735 5.5771 PRESSURE: 4860600 -29.8188 -14.7039 -12.1697 -14.7031 -166.797 -89.0886 -12.169 -89.0896 218.015 GPRESSURE: 4860600 -36.5638 11.9668 -114.391 -82.3374 -41.6153 -47.2129 -37.6234 -87.3298 181.546 PRESSAVG: 4860600 -14.7953 -2.4035 -17.126 -2.40346 -27.0446 0.221958 -17.1259 0.221815 19.6497 GPRESSAVG: 4860600 -15.2178 -2.8286 -18.3507 -2.772 -26.6402 3.00489 -14.2172 -0.232397 19.88 TIMING: 4860600 CPU: 14073.1, 0.00292213/step Wall: 14073.1, 0.00292213/step, 0.113151 hours remaining, 212.281250 MB of memory in use. ENERGY: 4860600 755.5524 2050.5023 1949.2206 108.7455 -206532.3376 17867.0930 0.0000 0.0000 34280.3290 -149520.8948 299.3786 -183801.2238 -149419.4464 298.2818 7.1332 34.4557 556992.5314 -7.3967 -7.3260 PRESSURE: 4860800 -172.038 -38.3001 -11.6052 -38.3004 -120.09 37.2547 -11.6057 37.253 -8.03412 GPRESSURE: 4860800 -89.6742 -20.837 85.3861 -14.7001 -151.248 -25.7399 -50.4186 98.2501 38.3137 PRESSAVG: 4860800 37.2497 7.06137 -30.9571 7.06135 -56.2694 21.3628 -30.9572 21.3628 37.5183 GPRESSAVG: 4860800 39.863 7.34618 -29.0248 6.06359 -56.3424 20.9051 -31.3443 22.1298 35.6558 TIMING: 4860800 CPU: 14073.7, 0.00290806/step Wall: 14073.7, 0.00290806/step, 0.112445 hours remaining, 212.281250 MB of memory in use. ENERGY: 4860800 740.0158 2128.9693 1943.0668 115.4912 -206127.3158 17684.3901 0.0000 0.0000 34117.5919 -149397.7908 297.9574 -183515.3827 -149297.6154 298.8612 -100.0539 -67.5361 558273.7627 6.1662 6.3921 PRESSURE: 4861000 -313.934 -69.2267 -91.7552 -69.2262 -3.5458 207.206 -91.7548 207.205 -1.75124 GPRESSURE: 4861000 -247.815 -4.40475 -127.57 -128.259 -27.1806 142.452 -97.7114 157.387 42.4531 PRESSAVG: 4861000 -18.3521 -21.2534 -17.163 -21.2534 8.16299 27.4739 -17.163 27.4738 30.3968 GPRESSAVG: 4861000 -19.4587 -20.9355 -18.831 -20.5044 8.12732 26.9615 -16.8887 25.8927 32.1759 TIMING: 4861000 CPU: 14074.3, 0.00291849/step Wall: 14074.3, 0.00291849/step, 0.112686 hours remaining, 212.281250 MB of memory in use. ENERGY: 4861000 743.0224 2123.0177 1957.6014 101.9045 -206122.2229 17494.5332 0.0000 0.0000 34245.5177 -149456.6261 299.0746 -183702.1438 -149361.1473 298.8593 -106.4104 -77.5142 558200.9023 6.7359 6.9482 PRESSURE: 4861200 -237.671 184.156 -77.851 184.156 -192.915 74.2136 -77.851 74.2131 50.7283 GPRESSURE: 4861200 -184.288 143.462 -27.4936 151.937 -158.616 172.077 -154.229 67.5188 56.2137 PRESSAVG: 4861200 -50.3975 -18.1774 -23.7513 -18.1774 33.3543 49.8623 -23.7512 49.8623 30.4169 GPRESSAVG: 4861200 -50.0051 -19.9257 -21.956 -18.4008 33.9416 49.2936 -25.5209 50.493 29.7577 TIMING: 4861200 CPU: 14074.9, 0.00290823/step Wall: 14074.9, 0.00290823/step, 0.112128 hours remaining, 212.281250 MB of memory in use. ENERGY: 4861200 735.1597 2132.6289 1940.7359 122.8241 -206088.3548 17559.5940 0.0000 0.0000 34259.8348 -149337.5773 299.1997 -183597.4121 -149232.2377 298.3057 -126.6191 -95.5636 558190.4813 4.4579 4.5647 PRESSURE: 4861400 57.0316 -26.099 157.989 -26.098 -202.689 210.343 157.988 210.342 -80.4317 GPRESSURE: 4861400 93.5398 -64.6872 141.672 22.7673 -140.898 254.912 106.302 223.032 -76.7229 PRESSAVG: 4861400 -22.8717 -23.9066 -72.2942 -23.9066 13.4385 23.6558 -72.2943 23.6558 -4.71517 GPRESSAVG: 4861400 -22.6323 -23.8306 -73.1456 -20.205 13.8643 23.5281 -70.6034 25.2822 -5.01529 TIMING: 4861400 CPU: 14075.5, 0.00290767/step Wall: 14075.5, 0.00290767/step, 0.111945 hours remaining, 212.281250 MB of memory in use. ENERGY: 4861400 762.8669 2112.3069 1964.2330 117.6846 -206055.7310 17708.3567 0.0000 0.0000 34093.9653 -149296.3177 297.7511 -183390.2829 -149196.7654 299.1793 -75.3632 -41.3604 557261.0298 -4.7161 -4.5944 PRESSURE: 4861600 -30.1729 125.63 -101.964 125.629 -63.9422 -41.8212 -101.966 -41.8203 17.3711 GPRESSURE: 4861600 7.29444 98.384 -32.9462 64.5911 -59.2158 -96.1169 -118.123 -5.07952 68.991 PRESSAVG: 4861600 -10.4961 2.63169 -4.5897 2.63163 12.3057 41.0088 -4.58956 41.0089 8.33906 GPRESSAVG: 4861600 -9.91001 3.82366 -3.61239 0.0670542 11.2905 41.4806 -4.45423 38.8036 8.91323 TIMING: 4861600 CPU: 14076.1, 0.00290451/step Wall: 14076.1, 0.00290451/step, 0.111662 hours remaining, 212.281250 MB of memory in use. ENERGY: 4861600 728.5012 2114.2840 1936.6307 103.6870 -205950.6662 17642.3932 0.0000 0.0000 34215.7725 -149209.3977 298.8149 -183425.1702 -149107.4576 299.2511 -25.5813 5.6899 556820.9146 3.3829 3.4312 PRESSURE: 4861800 193.702 -43.9942 -42.0951 -43.9937 -282.794 -63.0887 -42.0962 -63.0901 -4.31847 GPRESSURE: 4861800 204.869 39.5117 -103.519 -66.9592 -211.971 -94.4663 -42.8586 -58.5037 16.8631 PRESSAVG: 4861800 55.7307 -2.4214 -6.7481 -2.42141 -76.2874 -30.4855 -6.74821 -30.4856 -8.8916 GPRESSAVG: 4861800 55.5262 -2.95882 -8.53382 -2.79304 -76.1765 -30.3801 -7.19889 -28.6351 -8.48214 TIMING: 4861800 CPU: 14076.6, 0.00292865/step Wall: 14076.6, 0.00292865/step, 0.112428 hours remaining, 212.281250 MB of memory in use. ENERGY: 4861800 710.3458 2134.6347 1935.7700 106.3906 -205743.9470 17534.4814 0.0000 0.0000 34083.5664 -149238.7581 297.6603 -183322.3245 -149142.1859 299.3012 -31.1367 3.2535 557505.9702 -9.8161 -9.7108 PRESSURE: 4862000 -21.4046 -62.801 58.4028 -62.7999 -30.1589 103.597 58.4028 103.598 248.783 GPRESSURE: 4862000 37.2728 -10.5139 -39.4913 -164.761 -12.2275 138.485 109.794 107.353 266.81 PRESSAVG: 4862000 84.3365 12.0227 -37.0317 12.0227 -105.22 -6.15051 -37.0318 -6.15045 29.9731 GPRESSAVG: 4862000 84.3162 12.6396 -37.6806 12.2339 -105.542 -2.85142 -35.4454 -8.28333 29.8787 TIMING: 4862000 CPU: 14077.2, 0.00293065/step Wall: 14077.2, 0.00293065/step, 0.112342 hours remaining, 212.281250 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: 4862000 739.2990 2176.3247 1934.0534 107.1954 -206521.0401 17931.5543 0.0000 0.0000 34411.4515 -149221.1617 300.5238 -183632.6132 -149127.0840 298.9614 65.7397 97.2852 556630.6236 3.0298 2.8842 PRESSURE: 4862200 94.3223 0.85171 162.744 0.85124 -94.8483 -139.868 162.743 -139.867 488.792 GPRESSURE: 4862200 143.336 -63.5696 106.066 -21.9415 -77.8878 -101.566 150.002 -229.74 518.726 PRESSAVG: 4862200 2.63986 26.9919 0.122158 26.992 -21.7431 -54.5828 0.12205 -54.5828 54.8361 GPRESSAVG: 4862200 2.30389 26.0637 -0.206055 29.5382 -21.3518 -58.1457 -2.11075 -54.3805 54.697 TIMING: 4862200 CPU: 14077.8, 0.00291974/step Wall: 14077.8, 0.00291974/step, 0.111761 hours remaining, 212.281250 MB of memory in use. ENERGY: 4862200 742.1559 2110.9844 1965.5123 104.8871 -206313.3408 17933.6481 0.0000 0.0000 34281.4395 -149174.7135 299.3883 -183456.1530 -149083.3881 299.3322 162.7554 194.7247 555258.7176 11.9110 11.8830 PRESSURE: 4862400 -57.5797 88.4195 47.337 88.4173 93.5975 -158.419 47.3367 -158.422 9.29186 GPRESSURE: 4862400 -30.599 132.515 20.5116 151.011 98.8074 -124.839 -19.4874 -154.55 64.7476 PRESSAVG: 4862400 -38.6152 -29.0618 11.1554 -29.0617 30.6049 -9.51371 11.1553 -9.51371 -5.96597 GPRESSAVG: 4862400 -39.1971 -28.8047 12.1948 -31.2485 30.9657 -7.89336 11.4647 -9.69554 -5.86473 TIMING: 4862400 CPU: 14078.4, 0.00291192/step Wall: 14078.4, 0.00291192/step, 0.1113 hours remaining, 212.281250 MB of memory in use. ENERGY: 4862400 757.6504 2081.1625 1922.7977 103.8208 -206384.8227 17860.3616 0.0000 0.0000 34614.7635 -149044.2663 302.2993 -183659.0298 -148944.2896 300.0318 15.1032 44.3187 558626.3727 -4.6588 -4.6987 PRESSURE: 4862600 -273.104 24.4083 62.9184 24.4085 156.4 97.6574 62.918 97.6558 -89.7724 GPRESSURE: 4862600 -210.623 15.5077 77.5324 -72.1031 123.099 85.9957 -26.8806 40.2128 -22.7949 PRESSAVG: 4862600 25.9064 45.2472 0.507865 45.2472 -3.17238 -2.86821 0.507938 -2.86815 -1.03368 GPRESSAVG: 4862600 26.8269 45.6662 1.67261 46.2211 -4.08783 -4.80359 -1.18352 -1.92182 -1.09424 TIMING: 4862600 CPU: 14079, 0.00288142/step Wall: 14079, 0.00288142/step, 0.109974 hours remaining, 212.281250 MB of memory in use. ENERGY: 4862600 744.7977 2151.0980 1967.5678 111.6952 -205777.9686 17695.6225 0.0000 0.0000 34127.2871 -148979.9004 298.0421 -183107.1875 -148879.1654 299.9637 -68.8254 -36.7730 559441.7632 7.2335 7.2149 PRESSURE: 4862800 98.4754 -27.1908 -35.2621 -27.191 16.8509 -22.9654 -35.2628 -22.9666 -395.341 GPRESSURE: 4862800 123.56 -95.2811 -60.3477 16.0013 96.2162 -69.6329 -35.5366 -46.4672 -403.481 PRESSAVG: 4862800 37.5102 74.4631 -19.5436 74.463 4.72207 27.8114 -19.5436 27.8113 -27.5913 GPRESSAVG: 4862800 38.2636 74.0675 -21.1163 72.9458 4.15727 31.4751 -17.1673 24.878 -28.0204 TIMING: 4862800 CPU: 14079.6, 0.00291468/step Wall: 14079.6, 0.00291468/step, 0.111082 hours remaining, 212.281250 MB of memory in use. ENERGY: 4862800 750.0078 2087.9074 1952.4171 103.6847 -206003.0037 17650.9796 0.0000 0.0000 34287.3738 -149170.6332 299.4402 -183458.0070 -149076.9006 299.9691 -93.3382 -61.2348 558385.8562 4.8803 4.8001 PRESSURE: 4863000 113.204 -49.1969 -122.928 -49.1956 -330.405 108.464 -122.928 108.462 -129.842 GPRESSURE: 4863000 110.332 -77.7045 -126.982 -14.0139 -259.194 157.391 -148.034 106.416 -98.9556 PRESSAVG: 4863000 55.0926 17.2562 -9.25071 17.2562 -23.4374 67.2972 -9.25072 67.297 2.77953 GPRESSAVG: 4863000 54.4335 16.3003 -9.50228 17.3162 -22.3901 66.261 -7.84701 68.9436 2.3151 TIMING: 4863000 CPU: 14080.1, 0.00289625/step Wall: 14080.1, 0.00289625/step, 0.110218 hours remaining, 212.281250 MB of memory in use. ENERGY: 4863000 749.5861 2130.0990 1941.5073 110.1247 -206218.1283 17737.7434 0.0000 0.0000 34362.8204 -149186.2473 300.0991 -183549.0678 -149099.1533 299.4122 -115.6811 -82.6057 557735.8676 11.4783 11.4528 PRESSURE: 4863200 -2.2901 -97.9165 70.342 -97.9141 -106.594 -86.4138 70.3414 -86.4137 10.5441 GPRESSURE: 4863200 79.6618 -93.1067 4.9067 -75.0822 -50.0818 -193.369 41.8269 -49.6528 -26.2016 PRESSAVG: 4863200 34.0313 -50.3505 35.1119 -50.3504 4.16618 27.1183 35.112 27.1183 -44.2542 GPRESSAVG: 4863200 34.0473 -48.3794 35.5387 -48.7945 3.21804 26.7961 33.4485 27.6464 -43.6359 TIMING: 4863200 CPU: 14080.7, 0.00292189/step Wall: 14080.7, 0.00292189/step, 0.111032 hours remaining, 212.281250 MB of memory in use. ENERGY: 4863200 738.4628 2061.3177 1924.9127 124.8992 -205921.2397 17788.4309 0.0000 0.0000 34256.5088 -149026.7076 299.1706 -183283.2164 -148921.4912 299.6502 -32.7800 1.1261 558656.3257 -2.0189 -2.1235 PRESSURE: 4863400 -276.536 -85.2016 65.027 -85.202 -158.574 -209.775 65.027 -209.776 -267.826 GPRESSURE: 4863400 -271.897 -72.5141 101.568 -110.295 -106.565 -182.361 -5.87698 -192.37 -224.923 PRESSAVG: 4863400 29.5366 35.5205 0.959594 35.5206 -16.8836 -6.31277 0.959647 -6.31279 32.9962 GPRESSAVG: 4863400 28.4079 31.7065 2.43176 36.0601 -14.5595 -7.78757 0.00618567 -3.80303 31.9616 TIMING: 4863400 CPU: 14081.3, 0.00291588/step Wall: 14081.3, 0.00291588/step, 0.110641 hours remaining, 212.281250 MB of memory in use. ENERGY: 4863400 788.8617 2116.6946 1986.1605 122.9073 -205998.7217 17461.4761 0.0000 0.0000 34480.5311 -149042.0903 301.1271 -183522.6215 -148943.4993 300.3365 -234.3121 -201.1286 557278.8646 15.2164 15.2700 PRESSURE: 4863600 -4.66914 73.7039 -14.6827 73.7039 100.993 -59.7777 -14.6823 -59.7781 241.905 GPRESSURE: 4863600 -20.2138 73.112 99.3901 68.6265 155.279 -67.2645 -150.754 -27.6622 282.619 PRESSAVG: 4863600 -41.1705 -34.623 2.89525 -34.623 8.39422 -20.1146 2.89525 -20.1147 30.4011 GPRESSAVG: 4863600 -41.3099 -31.8554 0.95947 -36.3706 7.45614 -21.5836 3.15193 -21.3538 31.1107 TIMING: 4863600 CPU: 14081.9, 0.00291539/step Wall: 14081.9, 0.00291539/step, 0.110461 hours remaining, 212.281250 MB of memory in use. ENERGY: 4863600 763.1086 2017.7234 1954.0807 105.6149 -206431.1312 17980.4184 0.0000 0.0000 34435.9097 -149174.2756 300.7374 -183610.1853 -149073.1586 299.7514 112.7430 139.2281 557614.0097 -0.7917 -0.9144 PRESSURE: 4863800 -34.4722 33.0436 99.2495 33.0441 215.715 -53.2525 99.2482 -53.2533 86.4894 GPRESSURE: 4863800 75.1866 7.63192 87.1735 -41.6988 183.761 -9.47436 86.4964 -91.6975 95.692 PRESSAVG: 4863800 36.8031 69.9179 -9.95211 69.9179 35.1153 11.9269 -9.95197 11.927 -37.8459 GPRESSAVG: 4863800 37.4468 69.366 -8.95267 69.9666 35.7287 12.8876 -9.98481 12.0882 -38.8063 TIMING: 4863800 CPU: 14082.5, 0.00295813/step Wall: 14082.5, 0.00295813/step, 0.111916 hours remaining, 212.281250 MB of memory in use. ENERGY: 4863800 736.0956 2036.0066 1943.5772 107.6952 -206388.5484 18046.1782 0.0000 0.0000 34292.9029 -149226.0928 299.4884 -183518.9956 -149124.2201 299.6672 89.2440 118.2131 557559.0209 11.3575 11.4564 PRESSURE: 4864000 258.069 -80.9128 16.0896 -80.9127 24.8704 -120.787 16.0895 -120.788 136.634 GPRESSURE: 4864000 288.936 -140.02 -5.20755 -44.314 51.3957 -99.4681 -23.0956 -126 179.302 PRESSAVG: 4864000 6.6666 14.053 -32.1787 14.0529 43.021 -36.4204 -32.1787 -36.4204 -44.2732 GPRESSAVG: 4864000 6.94082 13.7974 -33.239 15.2008 42.3017 -34.5053 -31.8287 -38.6947 -43.7737 TIMING: 4864000 CPU: 14083.1, 0.00292271/step Wall: 14083.1, 0.00292271/step, 0.110414 hours remaining, 212.281250 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: 4864000 674.2047 2117.6091 1937.3175 123.2398 -206351.9669 17936.8347 0.0000 0.0000 34306.0878 -149256.6732 299.6036 -183562.7610 -149158.7143 299.5819 139.8578 173.2113 556635.8749 1.8048 1.8229 PRESSURE: 4864200 20.8629 -148.416 -30.4125 -148.415 110.037 -26.0954 -30.4116 -26.0967 132.786 GPRESSURE: 4864200 31.7693 -167.802 47.2516 -90.8917 207.948 -98.0227 -122.068 58.9956 129.339 PRESSAVG: 4864200 18.3531 -5.15106 26.0192 -5.15106 19.1092 -11.7949 26.0192 -11.795 -48.4212 GPRESSAVG: 4864200 18.0304 -3.94958 28.7232 -5.79395 18.7034 -11.7271 23.4353 -11.101 -47.2974 TIMING: 4864200 CPU: 14083.6, 0.00291381/step Wall: 14083.6, 0.00291381/step, 0.109916 hours remaining, 212.281250 MB of memory in use. ENERGY: 4864200 771.5996 2089.0581 1984.1821 118.2816 -206518.2000 17902.6318 0.0000 0.0000 34322.1398 -149330.3069 299.7438 -183652.4467 -149235.8403 299.8021 87.8956 123.0186 555622.6494 -3.6530 -3.5212 LDB: ============= START OF LOAD BALANCING ============== 14087 LDB: ============== END OF LOAD BALANCING =============== 14087 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14087 LDB: ============= START OF LOAD BALANCING ============== 14087.3 LDB: Largest compute 4773 load 0.028301 is 24.0% of average load 0.117905 LDB: Average compute 0.001725 is 1.5% of average load 0.117905 LDB: TIME 14087.3 LOAD: AVG 0.117905 MAX 0.176633 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.852 MB LDB: TIME 14087.3 LOAD: AVG 0.117905 MAX 0.176633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.855 MB LDB: TIME 14087.3 LOAD: AVG 0.117905 MAX 0.176633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.855 MB LDB: ============== END OF LOAD BALANCING =============== 14087.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14087.3 PRESSURE: 4864400 115.895 136.459 18.6878 136.459 -209.815 38.0874 18.6871 38.0873 53.1787 GPRESSURE: 4864400 148.885 131.246 -53.53 154.308 -157.053 20.6594 21.0377 64.0635 60.1447 PRESSAVG: 4864400 38.1487 -80.8693 51.0504 -80.8693 -13.3951 17.5963 51.0505 17.5965 -22.9358 GPRESSAVG: 4864400 39.387 -80.5343 49.6505 -80.9397 -14.3035 16.7657 53.3828 17.9423 -23.3598 TIMING: 4864400 CPU: 14084.2, 0.0029583/step Wall: 14084.2, 0.0029583/step, 0.111429 hours remaining, 212.085938 MB of memory in use. ENERGY: 4864400 759.1177 2130.3944 1964.3477 117.9646 -206179.2274 17809.3746 0.0000 0.0000 34099.2685 -149298.7600 297.7974 -183398.0285 -149204.7019 299.8464 -13.5802 17.3257 557212.1018 0.6059 0.5746 PRESSURE: 4864600 168.518 -84.8724 140.928 -84.8725 -76.4978 -47.3005 140.929 -47.3013 29.2555 GPRESSURE: 4864600 215.763 -2.56256 72.0307 -109.035 -57.6228 -20.5832 128.056 -94.5391 75.0913 PRESSAVG: 4864600 39.0314 -13.8401 30.0686 -13.84 -15.7197 22.2839 30.0686 22.2838 -5.09026 GPRESSAVG: 4864600 38.3433 -15.2301 31.0884 -12.8051 -13.4296 22.2236 28.4411 21.2852 -6.31891 TIMING: 4864600 CPU: 14084.8, 0.00289863/step Wall: 14084.8, 0.00289863/step, 0.109021 hours remaining, 212.085938 MB of memory in use. ENERGY: 4864600 735.8067 2084.2324 1959.4339 110.6664 -206004.0509 17695.4222 0.0000 0.0000 34291.2669 -149127.2224 299.4742 -183418.4893 -149031.0069 299.4068 40.4253 77.7440 556011.9908 6.0738 6.1983 PRESSURE: 4864800 -129.611 116.944 -81.5102 116.945 6.86603 196.477 -81.5113 196.478 96.9389 GPRESSURE: 4864800 -67.0379 55.1028 -31.5524 17.1077 18.3112 194.862 -66.1447 147.82 120.007 PRESSAVG: 4864800 -4.26476 14.4655 46.1462 14.4655 -38.8232 16.9929 46.1462 16.993 9.9712 GPRESSAVG: 4864800 -4.13284 12.9779 45.342 12.1876 -39.4413 14.9749 46.6353 19.1694 10.6825 TIMING: 4864800 CPU: 14085.4, 0.00288705/step Wall: 14085.4, 0.00288705/step, 0.108425 hours remaining, 212.085938 MB of memory in use. ENERGY: 4864800 800.3949 2140.0132 1937.4109 107.0633 -205871.0871 17779.1096 0.0000 0.0000 34105.4656 -149001.6295 297.8515 -183107.0951 -148909.2523 299.8680 -8.6020 23.7601 557677.8735 -11.0389 -10.9639 PRESSURE: 4865000 8.54124 -108.178 19.1423 -108.177 -11.2975 194.923 19.1428 194.923 24.3363 GPRESSURE: 4865000 15.2515 -112.836 18.2087 -118.159 23.1384 156.69 1.64774 172.73 83.4056 PRESSAVG: 4865000 -78.0759 -8.06332 27.2097 -8.06326 -44.9763 56.1269 27.2096 56.1269 82.8373 GPRESSAVG: 4865000 -78.1174 -6.13673 28.166 -6.50629 -44.8774 57.8998 26.1063 55.8534 83.1982 TIMING: 4865000 CPU: 14086, 0.00289578/step Wall: 14086, 0.00289578/step, 0.108592 hours remaining, 212.085938 MB of memory in use. ENERGY: 4865000 794.8372 2098.2363 1958.3274 118.9381 -206105.3990 17729.0031 0.0000 0.0000 34485.2281 -148920.8287 301.1681 -183406.0568 -148825.0119 300.7007 7.1934 40.5985 557566.8601 -13.4050 -13.2655 PRESSURE: 4865200 -106.17 15.1589 113.415 15.1587 -219.178 170.302 113.415 170.302 41.5063 GPRESSURE: 4865200 -69.8681 55.0086 6.7847 -6.93115 -179.22 91.7981 200.525 206.025 67.382 PRESSAVG: 4865200 -8.58445 11.9778 -3.39013 11.9778 46.6124 18.17 -3.39006 18.1701 -14.2321 GPRESSAVG: 4865200 -8.0486 13.1848 -5.58593 10.5903 46.3854 17.43 -0.856409 17.4178 -14.9915 TIMING: 4865200 CPU: 14086.5, 0.00290078/step Wall: 14086.5, 0.00290078/step, 0.108618 hours remaining, 212.085938 MB of memory in use. ENERGY: 4865200 721.5058 2137.0128 1948.2749 121.9462 -205826.6400 17588.5760 0.0000 0.0000 34370.8324 -148938.4920 300.1690 -183309.3244 -148837.5327 300.6926 -94.6139 -60.5686 558128.7146 7.9319 7.7818 PRESSURE: 4865400 45.4773 120.239 48.2702 120.239 107.147 -87.3622 48.2701 -87.362 -220.673 GPRESSURE: 4865400 63.3511 95.8994 47.1718 112.064 100.918 -62.6134 47.6619 -68.1407 -136.515 PRESSAVG: 4865400 44.2691 8.77979 19.5601 8.77976 -28.1448 21.3411 19.5602 21.3411 -50.8138 GPRESSAVG: 4865400 44.9291 7.73414 21.8846 11.187 -29.4864 22.6771 16.4971 19.3312 -49.3094 TIMING: 4865400 CPU: 14087.1, 0.00290093/step Wall: 14087.1, 0.00290093/step, 0.108462 hours remaining, 212.085938 MB of memory in use. ENERGY: 4865400 753.9843 2065.4780 1948.2757 117.3130 -206273.6706 17830.6125 0.0000 0.0000 34446.2824 -149111.7249 300.8280 -183558.0073 -149018.2900 300.3074 -22.6827 9.2513 556992.9267 -11.5632 -11.2889 PRESSURE: 4865600 192.575 52.5949 80.2574 52.5934 123.95 -113.336 80.256 -113.336 62.0837 GPRESSURE: 4865600 173.628 68.6164 65.6837 -7.07779 175.212 -119.31 -25.6624 -104.685 126.531 PRESSAVG: 4865600 -9.4194 22.7198 33.6577 22.7199 7.73996 0.949124 33.6577 0.949203 -46.8789 GPRESSAVG: 4865600 -9.19342 22.6567 32.7332 21.2021 7.55415 1.38865 33.3903 2.59489 -47.8452 TIMING: 4865600 CPU: 14087.7, 0.00289227/step Wall: 14087.7, 0.00289227/step, 0.107978 hours remaining, 212.085938 MB of memory in use. ENERGY: 4865600 762.8300 2048.1942 1957.0226 109.1051 -206443.1077 17974.6445 0.0000 0.0000 34452.8936 -149138.4176 300.8857 -183591.3112 -149038.7003 300.0141 126.2029 158.4571 556450.7985 -16.1861 -16.4948 PRESSURE: 4865800 2.35785 224.736 132.524 224.737 15.7405 2.7286 132.523 2.72974 -50.4151 GPRESSURE: 4865800 23.3846 292.837 92.9164 241.998 60.9621 -4.15 172.2 25.1644 -14.2986 PRESSAVG: 4865800 27.768 -56.5843 -12.3041 -56.5843 18.1772 -32.6232 -12.3041 -32.6231 -25.9924 GPRESSAVG: 4865800 26.4809 -54.4215 -11.3605 -57.4869 18.1749 -31.913 -11.0975 -33.1996 -25.0672 TIMING: 4865800 CPU: 14088.3, 0.00290807/step Wall: 14088.3, 0.00290807/step, 0.108406 hours remaining, 212.085938 MB of memory in use. ENERGY: 4865800 775.9117 2073.9353 1958.1397 105.9742 -206324.7106 18024.0542 0.0000 0.0000 34338.3836 -149048.3119 299.8856 -183386.6955 -148952.9343 299.2686 -10.7722 23.3494 557596.8259 6.6509 6.5295 PRESSURE: 4866000 88.0666 -36.2361 -75.3661 -36.2348 -233.329 -85.7759 -75.3655 -85.7767 75.0498 GPRESSURE: 4866000 82.7978 9.83278 -66.5035 -65.9981 -170.498 -138.547 -107.986 -58.2527 122.039 PRESSAVG: 4866000 -22.183 26.1929 -20.8909 26.1929 -52.9288 -30.1325 -20.8907 -30.1325 -9.70395 GPRESSAVG: 4866000 -22.0299 23.5494 -22.0156 25.8116 -52.5537 -29.5283 -20.115 -31.4323 -9.95655 TIMING: 4866000 CPU: 14088.9, 0.00292402/step Wall: 14088.9, 0.00292402/step, 0.108839 hours remaining, 212.085938 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: 4866000 738.4153 2182.2761 1951.7268 122.1502 -206293.8003 17913.5721 0.0000 0.0000 34418.7448 -148966.9150 300.5875 -183385.6598 -148869.5028 299.8683 -23.4041 11.4461 557742.9020 -28.2719 -28.1800 PRESSURE: 4866200 141.471 83.9121 10.3882 83.9116 95.6376 131.787 10.3879 131.787 3.6802 GPRESSURE: 4866200 162.019 96.8634 22.9922 31.5089 191.397 52.8631 -42.307 119.831 -3.14368 PRESSAVG: 4866200 42.1937 23.4759 18.4846 23.4758 -6.82352 -63.3949 18.4844 -63.3948 23.8711 GPRESSAVG: 4866200 42.3324 25.926 21.4266 23.6952 -5.74768 -65.1118 17.5248 -61.832 22.4244 TIMING: 4866200 CPU: 14089.5, 0.002932/step Wall: 14089.5, 0.002932/step, 0.108973 hours remaining, 212.085938 MB of memory in use. ENERGY: 4866200 742.2620 2057.4663 1942.5170 111.9369 -206216.7976 17903.9663 0.0000 0.0000 34356.6045 -149102.0445 300.0448 -183458.6491 -148998.2768 299.9616 80.2629 116.7576 557044.8048 19.7471 19.6697 PRESSURE: 4866400 -11.2128 -45.6668 -197.625 -45.6664 -107.402 -105.165 -197.625 -105.165 -81.1816 GPRESSURE: 4866400 38.8717 -32.1385 -118.935 -51.0264 -120.703 -87.1382 -256.471 -134.687 -26.4612 PRESSAVG: 4866400 8.98878 6.42059 -0.0260893 6.42062 -102.839 22.8096 -0.0260073 22.8096 60.3455 GPRESSAVG: 4866400 10.4327 4.98298 -2.41638 6.73736 -104.772 22.2072 -0.180366 21.3182 60.923 TIMING: 4866400 CPU: 14090, 0.00288596/step Wall: 14090, 0.00288596/step, 0.107101 hours remaining, 212.085938 MB of memory in use. ENERGY: 4866400 743.3861 2067.1524 1975.8016 113.6521 -205863.1932 17546.8871 0.0000 0.0000 34356.4888 -149059.8252 300.0438 -183416.3139 -148967.2968 299.2869 -66.5987 -36.0974 557659.8566 -11.1682 -11.1386 PRESSURE: 4866600 -176.666 -8.40438 -24.631 -8.40682 164.322 69.713 -24.6313 69.7133 465.271 GPRESSURE: 4866600 -105.038 24.7122 112.877 -77.6704 161.65 -12.0284 -48.7639 -8.28677 474.892 PRESSAVG: 4866600 4.55294 53.2461 -28.2195 53.2462 -22.7924 -45.7313 -28.2195 -45.7314 43.6903 GPRESSAVG: 4866600 4.01954 52.6053 -27.9822 53.3599 -22.222 -46.0526 -25.9845 -43.871 43.8348 TIMING: 4866600 CPU: 14090.6, 0.00293681/step Wall: 14090.6, 0.00293681/step, 0.108825 hours remaining, 212.085938 MB of memory in use. ENERGY: 4866600 723.8637 2046.9126 1927.2665 105.6107 -206431.5612 18205.9565 0.0000 0.0000 34248.7906 -149173.1606 299.1032 -183421.9512 -149072.8387 299.8078 150.9756 177.1681 556539.1377 8.4836 8.5441 PRESSURE: 4866800 8.30275 -55.7492 -1.56753 -55.7482 -217.969 -137.258 -1.56807 -137.259 29.7329 GPRESSURE: 4866800 11.6096 -6.13839 -23.636 -75.4668 -194.623 -64.3514 35.4327 -212.042 99.3882 PRESSAVG: 4866800 -3.33479 22.4378 25.6469 22.4378 -9.91418 -15.834 25.6468 -15.834 92.3258 GPRESSAVG: 4866800 -3.20657 22.7865 23.9398 21.8226 -10.1032 -15.4681 24.6592 -18.3967 91.9038 TIMING: 4866800 CPU: 14091.2, 0.00289394/step Wall: 14091.2, 0.00289394/step, 0.107076 hours remaining, 212.085938 MB of memory in use. ENERGY: 4866800 731.7519 2104.4584 1939.7933 112.2774 -205975.4462 17788.0573 0.0000 0.0000 34136.2822 -149162.8256 298.1206 -183299.1079 -149055.8421 299.4282 -59.9777 -27.8751 557301.9648 26.3589 26.1980 PRESSURE: 4867000 75.8786 117.69 53.3925 117.689 111.008 89.2909 53.3913 89.2902 -228.894 GPRESSURE: 4867000 75.9945 214.286 111.157 37.5081 125.12 59.0009 50.1821 123.683 -143.345 PRESSAVG: 4867000 47.6519 5.18143 32.2235 5.18136 -59.6352 -3.3738 32.2235 -3.37382 7.75711 GPRESSAVG: 4867000 47.2639 3.87099 32.3217 7.37905 -60.2322 -3.90053 33.1216 -0.981144 8.47221 TIMING: 4867000 CPU: 14091.8, 0.00290476/step Wall: 14091.8, 0.00290476/step, 0.107315 hours remaining, 212.085938 MB of memory in use. ENERGY: 4867000 747.6091 2155.5554 1948.3807 111.7208 -205981.9566 17567.9045 0.0000 0.0000 34454.3952 -148996.3909 300.8988 -183450.7861 -148900.3100 299.9280 -14.0024 19.2565 556450.9975 -1.4087 -1.4987 PRESSURE: 4867200 -398.262 40.9349 -31.429 40.9347 -136.528 17.0983 -31.4291 17.0985 -226.806 GPRESSURE: 4867200 -379.882 13.5907 78.7135 98.7156 -132.958 4.45504 -27.6873 24.2479 -151.106 PRESSAVG: 4867200 -32.9136 2.00775 -6.54833 2.00772 41.5338 6.84385 -6.54824 6.84377 -4.67203 GPRESSAVG: 4867200 -32.6808 0.802018 -3.34718 1.42519 41.2542 5.33491 -7.84882 7.0735 -4.2788 TIMING: 4867200 CPU: 14092.4, 0.00289061/step Wall: 14092.4, 0.00289061/step, 0.106631 hours remaining, 212.085938 MB of memory in use. ENERGY: 4867200 756.9576 2149.3649 1929.3222 110.4908 -205769.5880 17482.0167 0.0000 0.0000 34270.6465 -149070.7893 299.2941 -183341.4358 -148970.3757 300.3941 -253.8653 -221.3154 557643.0527 1.3161 1.4315 PRESSURE: 4867400 -237.068 -82.7633 73.0679 -82.7637 -146.61 -54.2394 73.0668 -54.2395 -203.033 GPRESSURE: 4867400 -181.307 -49.2372 16.7007 -115.126 -143.664 -79.7257 49.4466 -165.611 -166.525 PRESSAVG: 4867400 -4.65761 49.3517 -45.6624 49.3518 -19.2611 3.44373 -45.6624 3.4437 -0.744362 GPRESSAVG: 4867400 -5.27796 51.332 -46.567 49.4355 -18.8563 4.46431 -45.2987 5.42781 -0.335821 TIMING: 4867400 CPU: 14092.9, 0.00287265/step Wall: 14092.9, 0.00287265/step, 0.105809 hours remaining, 212.085938 MB of memory in use. ENERGY: 4867400 774.3682 2117.0015 1908.0620 112.9346 -205878.4156 17492.8229 0.0000 0.0000 34332.5826 -149140.6439 299.8350 -183473.2265 -149037.6020 300.1076 -195.5703 -163.8319 557218.5729 -8.2210 -8.1567 PRESSURE: 4867600 19.2404 -29.2835 99.6982 -29.2831 -25.5305 -79.2283 99.6982 -79.2275 97.2707 GPRESSURE: 4867600 56.5218 -1.91483 67.9122 -15.4972 55.3278 -52.7591 146.964 -39.6993 86.3046 PRESSAVG: 4867600 70.9101 15.9737 65.4866 15.9737 54.8657 -50.6329 65.4867 -50.6328 -92.8989 GPRESSAVG: 4867600 71.876 17.5116 64.368 15.2212 55.8019 -49.5778 65.8458 -53.3723 -94.4775 TIMING: 4867600 CPU: 14093.5, 0.00289165/step Wall: 14093.5, 0.00289165/step, 0.106348 hours remaining, 212.085938 MB of memory in use. ENERGY: 4867600 767.9847 2172.6029 1935.9941 123.4971 -206258.5464 17804.4107 0.0000 0.0000 34419.8529 -149034.2040 300.5971 -183454.0569 -148933.5307 300.6228 30.3269 66.0514 556805.8156 10.9589 11.0668 PRESSURE: 4867800 -175.8 -134.483 -145.613 -134.482 -167.095 33.2138 -145.613 33.2148 -53.2207 GPRESSURE: 4867800 -143.316 -48.184 -129.419 -209.616 -160.315 -41.3553 -123.162 98.8871 0.555726 PRESSAVG: 4867800 23.1031 10.9895 -36.7008 10.9897 2.25451 1.4013 -36.7007 1.40127 -48.9609 GPRESSAVG: 4867800 22.3871 11.0717 -35.6793 10.2389 2.31878 1.79198 -37.2734 -0.570528 -48.1888 TIMING: 4867800 CPU: 14094.1, 0.00287113/step Wall: 14094.1, 0.00287113/step, 0.105434 hours remaining, 212.085938 MB of memory in use. ENERGY: 4867800 726.5072 2126.5864 1972.9152 113.6998 -205927.9884 17623.2062 0.0000 0.0000 34431.2073 -148933.8662 300.6963 -183365.0736 -148848.4024 300.4178 -132.0385 -101.0251 558178.0796 -7.8678 -7.8277 PRESSURE: 4868000 56.6092 110.148 -23.1959 110.147 66.2579 -112.835 -23.1953 -112.836 -12.8402 GPRESSURE: 4868000 105.179 137.857 8.02829 90.5418 63.4073 -83.8614 31.8644 -74.7117 35.0624 PRESSAVG: 4868000 -96.2135 -17.7163 60.6454 -17.7164 27.0623 25.385 60.6453 25.3849 64.7886 GPRESSAVG: 4868000 -95.9658 -19.5542 61.5497 -16.3654 27.2688 26.1432 61.7358 26.2966 64.3005 TIMING: 4868000 CPU: 14094.7, 0.00287532/step Wall: 14094.7, 0.00287532/step, 0.105428 hours remaining, 212.085938 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: 4868000 760.9345 2090.8710 1961.6372 114.0819 -206155.9189 17953.8604 0.0000 0.0000 34435.6818 -148838.8522 300.7354 -183274.5340 -148745.2563 300.4798 36.6757 67.8828 556678.1332 -1.4542 -1.4655 PRESSURE: 4868200 119.602 -107.652 -10.8495 -107.652 -22.9676 -32.9589 -10.8496 -32.9579 17.0006 GPRESSURE: 4868200 133.435 -150.924 13.1776 1.21362 60.7299 -44.9271 -83.5368 -30.5535 21.9832 PRESSAVG: 4868200 4.55375 64.5926 -9.18152 64.5925 -0.339328 27.3279 -9.18153 27.3279 21.3657 GPRESSAVG: 4868200 5.11903 65.424 -10.5351 63.9019 -1.30929 25.2633 -9.52806 28.5842 21.9327 TIMING: 4868200 CPU: 14095.2, 0.00287727/step Wall: 14095.2, 0.00287727/step, 0.10534 hours remaining, 212.085938 MB of memory in use. ENERGY: 4868200 740.3017 2135.0865 1965.1044 118.6621 -205953.2125 17872.9188 0.0000 0.0000 34333.8808 -148787.2582 299.8463 -183121.1390 -148690.9452 300.7562 37.8784 72.0493 556711.0085 8.5267 8.5808 LDB: ============= START OF LOAD BALANCING ============== 14098.6 LDB: ============== END OF LOAD BALANCING =============== 14098.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14098.6 LDB: ============= START OF LOAD BALANCING ============== 14098.9 LDB: Largest compute 4773 load 0.027314 is 23.2% of average load 0.117956 LDB: Average compute 0.001731 is 1.5% of average load 0.117956 LDB: TIME 14098.9 LOAD: AVG 0.117956 MAX 0.178774 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.023 MB LDB: TIME 14098.9 LOAD: AVG 0.117956 MAX 0.178774 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: TIME 14098.9 LOAD: AVG 0.117956 MAX 0.178774 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: ============== END OF LOAD BALANCING =============== 14098.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14098.9 PRESSURE: 4868400 45.8745 112.512 -53.4801 112.512 112.839 -25.5646 -53.4801 -25.5631 102.161 GPRESSURE: 4868400 84.5843 103.845 -133.21 82.8735 145.169 12.8464 69.9241 30.408 129.588 PRESSAVG: 4868400 34.7491 2.24581 4.80303 2.24587 -10.1236 11.8494 4.80309 11.8493 12.2827 GPRESSAVG: 4868400 34.7141 3.29997 5.94692 2.18707 -10.0558 13.0066 4.23086 10.8675 12.8437 TIMING: 4868400 CPU: 14095.8, 0.00294864/step Wall: 14095.8, 0.00294864/step, 0.107789 hours remaining, 213.050781 MB of memory in use. ENERGY: 4868400 737.3264 2103.7882 1921.7315 107.6352 -206252.8835 17852.0623 0.0000 0.0000 34479.8771 -149050.4628 301.1213 -183530.3399 -148958.9735 300.3913 86.9580 119.7803 555799.6954 12.3027 12.5007 PRESSURE: 4868600 -47.379 95.3259 15.224 95.3271 -134.03 -117.864 15.2243 -117.863 341.768 GPRESSURE: 4868600 40.606 75.226 7.49065 160.629 -87.3717 -226.972 86.8344 -74.8191 305.552 PRESSAVG: 4868600 29.3776 -38.9888 36.3422 -38.9888 38.1201 16.1677 36.3422 16.1677 -14.204 GPRESSAVG: 4868600 29.7509 -39.1716 37.0845 -39.2242 39.4791 15.1025 35.8213 14.9598 -16.1178 TIMING: 4868600 CPU: 14096.4, 0.0028691/step Wall: 14096.4, 0.0028691/step, 0.104722 hours remaining, 213.050781 MB of memory in use. ENERGY: 4868600 703.6141 2085.2233 1926.8148 116.3373 -206372.8124 17928.0345 0.0000 0.0000 34426.3056 -149186.4828 300.6535 -183612.7884 -149090.4733 300.1909 53.4531 86.2622 556906.5612 17.7646 17.7041 PRESSURE: 4868800 136.836 -91.8305 57.2801 -91.831 -55.2403 -48.4159 57.2811 -48.4161 -190.019 GPRESSURE: 4868800 159.683 -83.4274 -58.0256 -56.8778 8.32954 -12.4779 32.9436 66.914 -175.411 PRESSAVG: 4868800 12.8085 -7.22572 -18.2762 -7.22574 -67.6786 54.2617 -18.2761 54.2617 32.891 GPRESSAVG: 4868800 11.9004 -8.79711 -20.5056 -6.98582 -68.8059 54.6498 -16.3243 55.1635 34.6216 TIMING: 4868800 CPU: 14097, 0.00288034/step Wall: 14097, 0.00288034/step, 0.104972 hours remaining, 213.050781 MB of memory in use. ENERGY: 4868800 758.6578 2134.7904 1956.5290 113.5023 -206003.8454 17675.0899 0.0000 0.0000 34204.0141 -149161.2618 298.7122 -183365.2760 -149066.8596 299.9498 -36.1412 -2.4662 557119.3504 -7.3264 -7.4280 PRESSURE: 4869000 299.571 87.5229 21.3287 87.524 229.963 -172.674 21.3291 -172.675 -79.0002 GPRESSURE: 4869000 300.824 14.8771 6.37032 83.9275 253.928 -112.412 36.8413 -231.401 -10.23 PRESSAVG: 4869000 24.0716 -18.8051 9.58788 -18.8051 2.42077 -25.4201 9.58792 -25.4201 12.4326 GPRESSAVG: 4869000 23.8552 -21.2579 10.5182 -16.3606 2.1524 -23.9641 6.97706 -26.4993 13.2259 TIMING: 4869000 CPU: 14097.6, 0.00288501/step Wall: 14097.6, 0.00288501/step, 0.104982 hours remaining, 213.050781 MB of memory in use. ENERGY: 4869000 745.4365 2099.9147 1949.0336 117.8469 -206555.6175 18053.6191 0.0000 0.0000 34313.0573 -149276.7095 299.6645 -183589.7667 -149176.0963 299.1245 150.1779 181.5072 556089.4845 12.9750 13.0778 PRESSURE: 4869200 -264.749 84.4496 161.739 84.4493 -70.0722 -134.891 161.738 -134.892 34.3776 GPRESSURE: 4869200 -152.392 48.0417 127.32 56.62 -73.6564 -76.988 112.692 -166.484 10.8858 PRESSAVG: 4869200 37.9314 1.38326 38.6052 1.38325 6.00769 -58.667 38.6053 -58.667 -24.5318 GPRESSAVG: 4869200 38.6103 4.28882 39.4843 0.0528782 5.27298 -62.1763 40.2026 -56.1997 -24.4538 TIMING: 4869200 CPU: 14098.1, 0.0028957/step Wall: 14098.1, 0.0028957/step, 0.105211 hours remaining, 213.050781 MB of memory in use. ENERGY: 4869200 759.7269 2120.8809 1921.8533 113.5613 -205935.0121 17656.9278 0.0000 0.0000 34063.6595 -149298.4023 297.4864 -183362.0619 -149199.2559 298.3769 -100.1479 -71.7208 557312.6241 6.4691 6.4765 PRESSURE: 4869400 -276.41 -58.4866 12.1698 -58.4868 -330.419 -0.696842 12.1694 -0.695564 -148.826 GPRESSURE: 4869400 -191.439 -3.23263 -22.0323 -46.217 -308.18 81.6495 33.9502 38.6219 -142.811 PRESSAVG: 4869400 -26.8815 -2.50961 8.48894 -2.50959 -6.58998 -25.0803 8.48893 -25.0803 58.9617 GPRESSAVG: 4869400 -27.7482 -1.70272 7.81046 -4.38299 -5.90248 -21.8809 7.17592 -26.5194 59.2843 TIMING: 4869400 CPU: 14098.7, 0.00289979/step Wall: 14098.7, 0.00289979/step, 0.105198 hours remaining, 213.050781 MB of memory in use. ENERGY: 4869400 794.0136 2065.0545 1954.3947 111.3234 -205774.7113 17458.2692 0.0000 0.0000 34321.3242 -149070.3316 299.7367 -183391.6558 -148974.6430 299.1709 -251.8852 -214.1431 557893.2733 8.4967 8.5445 PRESSURE: 4869600 -120.419 -10.4768 -137.556 -10.4777 224.543 -95.6199 -137.556 -95.6201 -29.9678 GPRESSURE: 4869600 -71.1354 4.23064 -133.451 78.703 265.112 -115.074 -145.214 -59.4582 -8.45702 PRESSAVG: 4869600 -14.7978 -24.19 -57.1593 -24.19 50.2898 -23.1626 -57.1593 -23.1625 -31.1542 GPRESSAVG: 4869600 -13.5622 -24.6578 -55.9757 -24.0686 49.5354 -23.9999 -54.9639 -21.8879 -32.1768 TIMING: 4869600 CPU: 14099.3, 0.00288536/step Wall: 14099.3, 0.00288536/step, 0.104514 hours remaining, 213.050781 MB of memory in use. ENERGY: 4869600 738.3358 2087.2462 1948.6819 106.9201 -206370.8006 17958.7362 0.0000 0.0000 34361.5000 -149169.3803 300.0875 -183530.8803 -149069.0988 300.0559 24.7188 61.8398 556781.3278 1.4459 1.2655 PRESSURE: 4869800 -90.1144 107.64 -181.53 107.64 -3.84544 37.4348 -181.531 37.4344 -292.865 GPRESSURE: 4869800 -50.2927 138.203 -168.364 69.3661 -4.70628 -7.25994 -167.247 89.6027 -243.765 PRESSAVG: 4869800 -1.89482 -19.0551 -29.0642 -19.0551 35.8316 9.21291 -29.0642 9.21285 -38.9302 GPRESSAVG: 4869800 -2.11024 -20.4356 -30.7715 -18.922 35.6905 8.68553 -30.2234 8.11755 -38.1822 TIMING: 4869800 CPU: 14099.9, 0.0029054/step Wall: 14099.9, 0.0029054/step, 0.105079 hours remaining, 213.050781 MB of memory in use. ENERGY: 4869800 766.6178 2114.2514 1951.4543 117.8286 -206443.2750 17771.2613 0.0000 0.0000 34487.5887 -149234.2730 301.1887 -183721.8617 -149140.6884 299.8190 -128.9418 -99.5881 558465.9591 -1.6645 -1.5340 PRESSURE: 4870000 -159.389 181.045 -185.354 181.044 -4.02714 93.9706 -185.353 93.9706 138.101 GPRESSURE: 4870000 -105.276 181.468 -181.933 40.3265 34.1386 91.1843 -190.286 67.9868 147.448 PRESSAVG: 4870000 -1.26313 -6.50001 -15.0892 -6.49999 -10.6971 4.6388 -15.0892 4.63888 -30.8335 GPRESSAVG: 4870000 -1.11001 -5.35443 -13.2009 -7.5619 -9.8442 4.84737 -16.0729 3.8288 -31.2032 TIMING: 4870000 CPU: 14100.5, 0.00290174/step Wall: 14100.5, 0.00290174/step, 0.104785 hours remaining, 213.050781 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: 4870000 731.9355 2117.0504 1968.2763 113.7902 -206078.6954 17703.5410 0.0000 0.0000 34190.4711 -149253.6308 298.5939 -183444.1019 -149157.1429 299.3668 -8.4385 25.4366 558359.2227 -14.2646 -14.0525 PRESSURE: 4870200 61.3451 -144.655 13.8677 -144.655 -74.4674 57.4892 13.8681 57.4878 -429.449 GPRESSURE: 4870200 122.412 -54.4897 85.0083 -137.191 -95.3637 38.7333 -20.6399 47.6505 -373.992 PRESSAVG: 4870200 7.95124 -6.80156 1.17948 -6.80156 23.3896 26.9225 1.17948 26.9227 -20.5731 GPRESSAVG: 4870200 7.76087 -6.82933 1.61516 -6.42796 22.9472 27.8372 0.779421 27.5389 -20.4668 TIMING: 4870200 CPU: 14101, 0.00289189/step Wall: 14101, 0.00289189/step, 0.104269 hours remaining, 213.050781 MB of memory in use. ENERGY: 4870200 752.7282 2132.5549 1948.9145 121.1729 -206100.6540 17709.8684 0.0000 0.0000 34312.1467 -149123.2684 299.6565 -183435.4151 -149022.2733 299.6779 -147.5238 -115.6476 559268.3768 3.5892 3.4138 PRESSURE: 4870400 69.2426 -58.467 -64.1614 -58.4685 -110.824 -61.8161 -64.1627 -61.8154 63.124 GPRESSURE: 4870400 120.143 -80.4945 23.6305 -17.254 -30.3431 5.19307 -41.9291 -82.613 35.0584 PRESSAVG: 4870400 -14.82 -37.9908 -21.2411 -37.9907 62.1548 27.2116 -21.2411 27.2115 -16.969 GPRESSAVG: 4870400 -14.1637 -38.8513 -22.152 -36.6502 62.4872 27.9227 -21.2446 26.7742 -17.9217 TIMING: 4870400 CPU: 14101.6, 0.00290732/step Wall: 14101.6, 0.00290732/step, 0.104664 hours remaining, 213.050781 MB of memory in use. ENERGY: 4870400 743.5966 2114.5280 1963.5061 116.0008 -206380.2075 18047.6039 0.0000 0.0000 34142.8006 -149252.1716 298.1776 -183394.9722 -149160.6126 299.4445 7.1807 41.6194 558539.2788 10.1219 10.1340 PRESSURE: 4870600 -227.467 5.2438 54.9235 5.24427 -149.456 12.5475 54.9223 12.5472 -78.2442 GPRESSURE: 4870600 -183.525 19.0421 56.1149 35.4403 -110.939 19.9082 61.1297 17.889 -60.458 PRESSAVG: 4870600 -54.6753 -38.606 44.5023 -38.606 60.7695 -56.083 44.5023 -56.083 22.9829 GPRESSAVG: 4870600 -55.8513 -37.7145 43.3285 -41.3766 59.7098 -57.257 46.7946 -53.7535 25.1522 TIMING: 4870600 CPU: 14102.2, 0.00289213/step Wall: 14102.2, 0.00289213/step, 0.103956 hours remaining, 213.050781 MB of memory in use. ENERGY: 4870600 767.4484 2121.2406 1928.8268 108.9185 -206120.2819 17630.0236 0.0000 0.0000 34362.3445 -149201.4794 300.0949 -183563.8238 -149107.7000 299.6261 -151.7223 -118.3075 557600.4339 9.6924 9.6702 PRESSURE: 4870800 -109.906 63.0912 -88.0707 63.091 189.475 7.79968 -88.07 7.79863 -74.6537 GPRESSURE: 4870800 -115.515 102.427 -42.9281 47.4271 262.257 30.9193 -78.8473 -30.517 -40.9652 PRESSAVG: 4870800 -34.6656 34.6048 -22.4555 34.6048 -0.775245 -43.2725 -22.4556 -43.2724 58.1683 GPRESSAVG: 4870800 -35.328 35.7739 -20.3943 35.3414 0.471874 -43.6613 -26.2155 -44.3709 57.3568 TIMING: 4870800 CPU: 14102.8, 0.00288411/step Wall: 14102.8, 0.00288411/step, 0.103508 hours remaining, 213.050781 MB of memory in use. ENERGY: 4870800 704.7332 2099.3748 1928.8755 121.7514 -206571.0516 18049.7000 0.0000 0.0000 34485.4956 -149181.1210 301.1704 -183666.6167 -149081.8479 299.3381 1.6385 35.2587 559063.8122 7.5758 7.5002 PRESSURE: 4871000 -246.05 -51.3505 59.6891 -51.3506 174.769 160.19 59.6903 160.189 82.4543 GPRESSURE: 4871000 -228.529 -71.6229 11.9542 -6.79725 177.974 124.743 46.0136 151.177 165.819 PRESSAVG: 4871000 3.50624 37.2524 4.35677 37.2522 -71.6635 -16.5075 4.35686 -16.5074 25.6903 GPRESSAVG: 4871000 3.8678 36.1663 3.50948 37.4426 -72.0695 -15.022 7.31755 -17.5782 24.7836 TIMING: 4871000 CPU: 14103.3, 0.00287935/step Wall: 14103.3, 0.00287935/step, 0.103177 hours remaining, 213.050781 MB of memory in use. ENERGY: 4871000 704.2535 2145.3461 1954.6863 114.3602 -206057.1276 17797.9939 0.0000 0.0000 34252.0663 -149088.4213 299.1318 -183340.4876 -148985.8127 299.8593 3.7242 38.4215 558832.9565 -14.1557 -14.4727 PRESSURE: 4871200 -30.0371 101.376 -171.432 101.377 112.453 -84.2143 -171.432 -84.2141 63.4292 GPRESSURE: 4871200 -18.8999 164.276 -124.538 -16.7195 104.864 -16.1619 -153.636 -85.3855 151.809 PRESSAVG: 4871200 -13.646 24.5841 23.3761 24.5841 52.171 -3.77635 23.3761 -3.77644 -64.3476 GPRESSAVG: 4871200 -14.6386 24.2709 23.0869 25.1224 52.224 -5.60072 21.3214 -3.00955 -63.3268 TIMING: 4871200 CPU: 14103.9, 0.00287159/step Wall: 14103.9, 0.00287159/step, 0.102739 hours remaining, 213.050781 MB of memory in use. ENERGY: 4871200 740.7052 2111.0121 1937.1326 112.2817 -206379.5962 18025.1449 0.0000 0.0000 34518.4798 -148934.8399 301.4585 -183453.3197 -148835.3840 300.9330 48.6150 79.2575 557474.2706 -8.6075 -8.5805 PRESSURE: 4871400 -246.202 -158.503 107.281 -158.503 -75.8759 237.054 107.28 237.054 -87.9166 GPRESSURE: 4871400 -191.518 -131.47 110.915 -133.19 -101.468 259.879 47.475 259.377 -30.039 PRESSAVG: 4871400 0.827556 -41.5451 -19.2113 -41.545 -80.7972 41.293 -19.2113 41.2931 33.9819 GPRESSAVG: 4871400 2.05024 -41.1131 -19.4231 -41.7372 -81.8323 40.8033 -19.3971 42.5575 32.9112 TIMING: 4871400 CPU: 14104.5, 0.00286539/step Wall: 14104.5, 0.00286539/step, 0.102358 hours remaining, 213.050781 MB of memory in use. ENERGY: 4871400 749.3294 2112.7727 1933.3341 98.2944 -205878.8944 17735.2800 0.0000 0.0000 34391.6605 -148858.2234 300.3509 -183249.8839 -148763.1235 300.5575 -136.6647 -107.6752 558154.9916 -15.3292 -15.6236 PRESSURE: 4871600 -264.503 13.6177 206.753 13.618 -365.786 140.748 206.754 140.747 -125.075 GPRESSURE: 4871600 -238.205 -50.276 177.019 3.57933 -350.099 128.626 184.726 137.757 -71.2024 PRESSAVG: 4871600 1.44279 -6.46628 52.2359 -6.46627 -47.5142 77.1315 52.236 77.1315 48.8918 GPRESSAVG: 4871600 1.2496 -8.41258 52.3927 -5.26496 -47.2214 80.2193 53.477 73.93 49.4186 TIMING: 4871600 CPU: 14105.1, 0.0028744/step Wall: 14105.1, 0.0028744/step, 0.10252 hours remaining, 213.050781 MB of memory in use. ENERGY: 4871600 769.5214 2112.5983 1917.8114 113.4199 -205277.8766 17376.9486 0.0000 0.0000 34205.2748 -148782.3021 298.7232 -182987.5769 -148687.9010 300.1540 -251.7880 -219.8357 559462.2438 0.9401 1.1489 PRESSURE: 4871800 38.2477 87.2442 75.9821 87.245 -280.576 -175.884 75.9812 -175.885 -10.5419 GPRESSURE: 4871800 102.305 43.7951 68.1281 75.3631 -229.698 -108.358 29.5716 -165.332 -15.8433 PRESSAVG: 4871800 99.5227 12.6033 18.7843 12.6034 -130.303 25.8464 18.7843 25.8465 58.0992 GPRESSAVG: 4871800 98.8069 14.0246 19.2239 12.5544 -129.703 25.8555 18.5179 27.5147 58.316 TIMING: 4871800 CPU: 14105.6, 0.00289074/step Wall: 14105.6, 0.00289074/step, 0.102942 hours remaining, 213.050781 MB of memory in use. ENERGY: 4871800 760.0203 2100.3881 1948.6505 104.4018 -205857.5048 17768.9564 0.0000 0.0000 34310.1594 -148864.9283 299.6392 -183175.0877 -148773.2780 299.7820 -84.2902 -47.7452 557224.8151 9.1063 9.1399 PRESSURE: 4872000 -123.228 -167.331 55.8704 -167.33 -196.196 -34.0973 55.8693 -34.0962 -308.009 GPRESSURE: 4872000 -69.3884 -197.043 89.7461 -60.1713 -210.224 -65.8629 98.727 -86.4543 -249.227 PRESSAVG: 4872000 83.5757 -47.4691 42.1222 -47.469 -95.3985 -20.8502 42.1222 -20.8503 -44.1581 GPRESSAVG: 4872000 83.0508 -47.4974 42.1232 -48.2955 -95.2588 -22.8423 43.526 -19.7276 -43.835 TIMING: 4872000 CPU: 14106.2, 0.00288757/step Wall: 14106.2, 0.00288757/step, 0.102669 hours remaining, 213.253906 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: 4872000 761.3499 2128.6809 1930.6395 107.8532 -205834.7164 17557.8896 0.0000 0.0000 34301.3151 -149046.9882 299.5619 -183348.3034 -148952.4535 299.8591 -209.1447 -176.2797 557816.3236 -18.6603 -18.6810 PRESSURE: 4872200 -42.098 -36.91 103.046 -36.9088 -159.825 83.8173 103.045 83.8201 23.7435 GPRESSURE: 4872200 -1.92033 -88.8293 52.6887 -81.0316 -102.067 30.0435 124.741 138.156 18.7259 PRESSAVG: 4872200 17.0603 -5.11364 -0.321285 -5.11353 14.9834 3.78897 -0.321322 3.78884 -23.5328 GPRESSAVG: 4872200 16.6376 -5.87994 -2.26061 -3.85403 15.8535 3.69849 0.861471 1.95774 -24.3083 TIMING: 4872200 CPU: 14106.8, 0.00289192/step Wall: 14106.8, 0.00289192/step, 0.102663 hours remaining, 213.253906 MB of memory in use. ENERGY: 4872200 738.3940 2112.1729 1945.1003 112.0093 -206182.6965 17873.2267 0.0000 0.0000 34316.1367 -149085.6567 299.6914 -183401.7933 -148982.7774 299.9980 -59.3931 -28.4204 557638.7956 2.8370 2.7276 LDB: ============= START OF LOAD BALANCING ============== 14110.2 LDB: ============== END OF LOAD BALANCING =============== 14110.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14110.2 LDB: ============= START OF LOAD BALANCING ============== 14110.5 LDB: Largest compute 4799 load 0.028259 is 23.9% of average load 0.118019 LDB: Average compute 0.001715 is 1.5% of average load 0.118019 LDB: TIME 14110.5 LOAD: AVG 0.118019 MAX 0.179419 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.312 MB LDB: TIME 14110.5 LOAD: AVG 0.118019 MAX 0.179419 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: TIME 14110.5 LOAD: AVG 0.118019 MAX 0.179419 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: ============== END OF LOAD BALANCING =============== 14110.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14110.5 PRESSURE: 4872400 -247.046 76.8286 41.3794 76.8277 -134.482 83.5412 41.3787 83.539 -126.72 GPRESSURE: 4872400 -218.296 11.7022 18.6043 55.4134 -141.248 85.2165 55.1027 59.0192 -56.3242 PRESSAVG: 4872400 7.53722 -87.5814 -20.0059 -87.5816 6.80361 -33.4573 -20.006 -33.4573 14.409 GPRESSAVG: 4872400 8.97383 -86.4262 -18.8133 -87.6943 4.99727 -31.7651 -21.1471 -32.6862 15.5333 TIMING: 4872400 CPU: 14107.4, 0.00293621/step Wall: 14107.4, 0.00293621/step, 0.104072 hours remaining, 210.925781 MB of memory in use. ENERGY: 4872400 813.7064 2087.7107 1971.5728 117.1049 -205746.4347 17520.9282 0.0000 0.0000 34150.8694 -149084.5423 298.2480 -183235.4117 -148985.0269 299.5109 -169.4159 -138.6230 556214.2647 9.5833 9.8348 PRESSURE: 4872600 -102.88 100.133 -51.0601 100.132 -132.344 65.3283 -51.0581 65.3275 103.425 GPRESSURE: 4872600 -38.2005 86.7641 -42.3758 47.3716 -124.712 -21.8402 -91.369 124.472 141.372 PRESSAVG: 4872600 16.0455 -17.5958 -18.7052 -17.5957 25.9897 -24.9331 -18.7052 -24.9331 7.91289 GPRESSAVG: 4872600 14.0313 -17.1087 -17.3516 -16.7978 27.8226 -26.8635 -18.6598 -23.9655 8.35347 TIMING: 4872600 CPU: 14108, 0.00288606/step Wall: 14108, 0.00288606/step, 0.102135 hours remaining, 210.925781 MB of memory in use. ENERGY: 4872600 765.8548 2084.0828 1949.5966 103.0339 -205978.6914 17703.5097 0.0000 0.0000 34391.2624 -148981.3511 300.3474 -183372.6135 -148887.9799 300.0551 -43.9330 -7.1800 556721.5731 16.6494 16.7358 PRESSURE: 4872800 184.671 -212.671 -105.071 -212.67 92.323 -72.2022 -105.073 -72.2015 120.544 GPRESSURE: 4872800 170.751 -246.999 -170.623 -149.38 128.753 -87.7589 -34.6598 -107.824 195.925 PRESSAVG: 4872800 -15.5691 -9.84816 -49.6253 -9.84813 -14.6493 -27.5948 -49.6254 -27.5947 13.6332 GPRESSAVG: 4872800 -14.2736 -10.8845 -50.4437 -10.6443 -15.7709 -26.2866 -49.5588 -28.7832 14.0042 TIMING: 4872800 CPU: 14108.5, 0.00289264/step Wall: 14108.5, 0.00289264/step, 0.102206 hours remaining, 210.925781 MB of memory in use. ENERGY: 4872800 737.8493 2119.5240 1939.4987 109.7697 -206496.1683 18059.7985 0.0000 0.0000 34518.6859 -149011.0421 301.4603 -183529.7280 -148917.6604 300.0417 132.5128 165.1429 556689.8614 -5.5284 -5.3467 PRESSURE: 4873000 -29.3071 20.5582 46.0211 20.5584 -94.5512 -17.7194 46.0212 -17.7188 -138.107 GPRESSURE: 4873000 -3.71509 75.7173 63.4175 -29.6103 -59.5052 40.8984 -16.9503 -64.829 -100.79 PRESSAVG: 4873000 30.7154 -2.51519 -12.4382 -2.51519 4.51941 -8.08244 -12.4382 -8.08249 14.9099 GPRESSAVG: 4873000 30.5948 -2.84446 -13.6097 -1.10314 5.54924 -8.70433 -12.4211 -6.98731 14.3324 TIMING: 4873000 CPU: 14109.1, 0.0028637/step Wall: 14109.1, 0.0028637/step, 0.101025 hours remaining, 210.925781 MB of memory in use. ENERGY: 4873000 748.3369 2087.2928 1943.5282 120.5710 -206173.8948 17606.2266 0.0000 0.0000 34270.7633 -149397.1760 299.2951 -183667.9394 -149302.2232 299.2444 -87.3218 -54.6701 556750.7498 16.7149 16.8255 PRESSURE: 4873200 -223.712 33.3009 13.4404 33.3023 -268.757 -84.8524 13.4394 -84.8531 -76.6326 GPRESSURE: 4873200 -200.359 7.45428 -3.4603 42.8973 -257.795 -75.0057 25.0852 -64.3544 -19.051 PRESSAVG: 4873200 -32.4072 -18.85 -57.178 -18.85 -2.51054 30.0964 -57.178 30.0963 -0.932348 GPRESSAVG: 4873200 -32.3137 -18.7808 -55.5894 -18.8897 -2.92556 28.0754 -56.3442 30.3611 -1.06884 TIMING: 4873200 CPU: 14109.7, 0.0028799/step Wall: 14109.7, 0.0028799/step, 0.101437 hours remaining, 210.925781 MB of memory in use. ENERGY: 4873200 751.7647 2113.3297 1954.2673 117.3263 -205927.7089 17548.2276 0.0000 0.0000 34245.8762 -149196.9171 299.0778 -183442.7934 -149094.3676 299.4532 -189.7007 -159.0681 558067.4022 -11.9500 -12.1027 PRESSURE: 4873400 59.3817 85.881 -115.271 85.8815 -108.683 66.2612 -115.27 66.2609 218.801 GPRESSURE: 4873400 73.7159 74.2074 -24.1394 170.235 -60.5913 56.5076 -169.172 163.836 250.582 PRESSAVG: 4873400 -54.4512 9.85072 -24.7601 9.85077 57.9418 4.13823 -24.7601 4.13819 -3.07355 GPRESSAVG: 4873400 -54.6575 9.64037 -26.808 8.22169 57.3229 6.38846 -23.6694 1.5411 -2.64802 TIMING: 4873400 CPU: 14110.3, 0.00291043/step Wall: 14110.3, 0.00291043/step, 0.10235 hours remaining, 210.925781 MB of memory in use. ENERGY: 4873400 711.6654 2035.5532 1970.0610 109.8894 -206155.1186 17863.4513 0.0000 0.0000 34292.7433 -149171.7550 299.4871 -183464.4983 -149071.8346 299.3098 56.4997 87.9021 558347.9736 0.1390 0.0058 PRESSURE: 4873600 105.319 171.348 70.373 171.348 -2.02099 36.5009 70.3744 36.5002 -52.8807 GPRESSURE: 4873600 150.782 61.8872 71.7184 203.712 -1.60663 -20.7323 114.732 60.4078 -6.91285 PRESSAVG: 4873600 -2.06637 65.9837 -68.5957 65.9837 44.3377 37.11 -68.5958 37.1101 3.70714 GPRESSAVG: 4873600 -1.82943 64.8783 -67.2523 67.1027 44.5449 36.5634 -70.3946 36.1285 4.29162 TIMING: 4873600 CPU: 14110.9, 0.00293545/step Wall: 14110.9, 0.00293545/step, 0.103067 hours remaining, 210.925781 MB of memory in use. ENERGY: 4873600 730.3312 2071.2957 1920.4980 112.1632 -205738.4595 17702.5328 0.0000 0.0000 34159.6141 -149042.0246 298.3244 -183201.6387 -148942.7374 299.3398 16.8059 47.4209 557361.2240 15.3261 15.6690 PRESSURE: 4873800 -2.40725 99.8654 -60.8763 99.865 85.8459 -204.019 -60.8759 -204.018 -182.12 GPRESSURE: 4873800 25.0933 92.3209 -3.39308 39.9439 137.333 -250.777 -57.2515 -170.02 -155.935 PRESSAVG: 4873800 31.8367 37.4218 -2.26276 37.4217 -16.0884 -22.4191 -2.26269 -22.4192 6.28117 GPRESSAVG: 4873800 32.1573 40.3757 -3.13587 36.954 -15.712 -20.9577 -0.784777 -21.7213 5.85946 TIMING: 4873800 CPU: 14111.4, 0.002895/step Wall: 14111.4, 0.002895/step, 0.101486 hours remaining, 210.925781 MB of memory in use. ENERGY: 4873800 782.8466 2113.2727 1943.2568 106.4135 -206319.7429 17966.6509 0.0000 0.0000 34454.1842 -148953.1182 300.8970 -183407.3024 -148860.5200 300.3196 -32.8939 2.1637 557667.1022 7.3432 7.4349 PRESSURE: 4874000 -150.382 -57.6751 238.366 -57.6753 -136.578 58.6289 238.368 58.6281 -96.1459 GPRESSURE: 4874000 -156.889 -89.9684 158.711 -1.37297 -98.8048 122.559 191.7 35.5293 -34.6314 PRESSAVG: 4874000 -42.9561 -62.2539 19.3731 -62.2539 60.156 16.5954 19.3731 16.5954 -26.8746 GPRESSAVG: 4874000 -43.5947 -61.655 20.0387 -63.267 60.4477 15.9634 17.0578 16.7047 -26.5784 TIMING: 4874000 CPU: 14112, 0.00288378/step Wall: 14112, 0.00288378/step, 0.100932 hours remaining, 210.925781 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: 4874000 800.1752 2096.6903 1957.1350 118.0723 -206080.9944 17824.9986 0.0000 0.0000 34417.0918 -148866.8312 300.5730 -183283.9231 -148766.9953 300.7304 -127.7019 -96.7751 559136.7323 -3.2249 -3.2418 PRESSURE: 4874200 -86.3849 120.849 -13.7834 120.85 161.844 88.5121 -13.7844 88.5118 -18.0101 GPRESSURE: 4874200 -48.9897 24.3007 34.7286 168.869 154.657 91.7152 -51.8002 47.4357 43.09 PRESSAVG: 4874200 -45.6727 13.4639 56.7717 13.4638 57.0608 -18.7223 56.7717 -18.7223 1.29778 GPRESSAVG: 4874200 -44.5427 11.8338 57.5763 13.7653 56.4679 -19.1757 58.1583 -18.8389 1.01687 TIMING: 4874200 CPU: 14112.6, 0.00289682/step Wall: 14112.6, 0.00289682/step, 0.101228 hours remaining, 210.925781 MB of memory in use. ENERGY: 4874200 756.0929 2094.8055 1969.6362 124.4103 -206056.2509 18072.5419 0.0000 0.0000 34107.6724 -148931.0917 297.8708 -183038.7641 -148837.4695 300.3029 19.1496 49.5859 560119.7277 4.2286 4.3140 PRESSURE: 4874400 -1.58064 -48.3368 -86.5106 -48.3368 5.72517 90.6417 -86.5102 90.6416 1.71395 GPRESSURE: 4874400 85.9938 -149.345 -138.5 -48.5351 -3.97133 103.065 -88.3738 22.6768 20.7649 PRESSAVG: 4874400 -16.3559 -40.5558 6.61708 -40.5557 37.5023 26.9023 6.6171 26.9022 -11.5421 GPRESSAVG: 4874400 -16.1053 -41.0951 6.76131 -39.5467 37.8777 26.3822 5.7794 27.4606 -12.4601 TIMING: 4874400 CPU: 14113.2, 0.00289384/step Wall: 14113.2, 0.00289384/step, 0.100963 hours remaining, 210.925781 MB of memory in use. ENERGY: 4874400 751.0132 2114.1826 1949.8388 106.3492 -206193.5245 17796.8069 0.0000 0.0000 34384.3697 -149090.9640 300.2873 -183475.3337 -148996.6114 300.3419 1.9528 34.2625 557640.8405 3.2014 3.1041 PRESSURE: 4874600 -156.982 -70.0848 177.003 -70.0864 -141.284 -50.1421 177.003 -50.1409 129.83 GPRESSURE: 4874600 -105.976 9.07244 207.231 -130.509 -105.932 -68.2612 135.277 10.9889 158.927 PRESSAVG: 4874600 22.4078 -25.6341 0.764715 -25.6341 10.944 23.3211 0.764869 23.3211 -36.213 GPRESSAVG: 4874600 21.0986 -25.5082 -0.783306 -27.0066 12.5814 21.3515 -0.710956 25.8938 -35.596 TIMING: 4874600 CPU: 14113.8, 0.00289081/step Wall: 14113.8, 0.00289081/step, 0.100697 hours remaining, 210.925781 MB of memory in use. ENERGY: 4874600 749.4551 2028.5971 1924.5499 120.8646 -206579.8428 17867.8092 0.0000 0.0000 34761.1534 -149127.4134 303.5778 -183888.5669 -149024.5835 299.2789 -56.1456 -17.6604 558093.1473 -0.9537 -0.6387 PRESSURE: 4874800 166.148 82.3138 61.5121 82.3125 95.3932 -44.7783 61.5114 -44.7785 199.946 GPRESSURE: 4874800 165.496 143.21 69.2014 40.0776 160.389 -99.5326 119.269 -1.55021 235.586 PRESSAVG: 4874800 61.8408 29.0005 24.6077 29.0005 -42.8177 -1.41314 24.6077 -1.41312 -55.3188 GPRESSAVG: 4874800 63.0631 29.9708 25.6344 28.8979 -44.7071 -0.728453 23.9927 -3.45342 -54.5365 TIMING: 4874800 CPU: 14114.3, 0.00291515/step Wall: 14114.3, 0.00291515/step, 0.101382 hours remaining, 210.925781 MB of memory in use. ENERGY: 4874800 765.0842 2072.8021 1942.4855 119.5953 -206346.1163 18064.3142 0.0000 0.0000 34195.1909 -149186.6441 298.6351 -183381.8350 -149093.7514 298.6919 153.8290 187.1568 556691.6207 -12.0986 -12.0602 PRESSURE: 4875000 -25.5633 -113.372 -26.915 -113.371 160.853 -106.223 -26.9148 -106.223 -40.6056 GPRESSURE: 4875000 55.9082 -141.246 -37.612 -139.907 184.357 -129.23 25.7722 -106.488 -45.475 PRESSAVG: 4875000 -34.8763 -17.0595 6.89854 -17.0595 69.7239 -16.6519 6.89847 -16.6518 -16.1422 GPRESSAVG: 4875000 -34.2892 -17.9598 8.77594 -17.363 70.4856 -16.0398 6.46256 -14.794 -17.3354 TIMING: 4875000 CPU: 14114.9, 0.00290726/step Wall: 14114.9, 0.00290726/step, 0.100947 hours remaining, 210.925781 MB of memory in use. ENERGY: 4875000 727.7194 2086.3204 1968.5242 110.3096 -206178.0241 17769.2536 0.0000 0.0000 34445.2127 -149070.6842 300.8186 -183515.8969 -148970.9504 299.4178 31.5614 64.9302 557082.5296 6.2351 6.2870 PRESSURE: 4875200 -116.532 -194.894 -74.7342 -194.896 172.096 -201.738 -74.7335 -201.739 -45.0237 GPRESSURE: 4875200 -92.0261 -180.447 -91.3161 -160.205 259.358 -180.165 -73.1406 -210.83 -54.0058 PRESSAVG: 4875200 6.36782 -56.7296 -5.61038 -56.7297 23.0399 -7.51537 -5.61041 -7.51541 -3.15101 GPRESSAVG: 4875200 6.36397 -56.9399 -9.10553 -55.2646 24.2856 -7.03224 -1.0761 -10.3722 -4.07517 TIMING: 4875200 CPU: 14115.5, 0.00289118/step Wall: 14115.5, 0.00289118/step, 0.100227 hours remaining, 210.925781 MB of memory in use. ENERGY: 4875200 740.5539 2140.6140 1977.1105 113.9177 -206225.1680 18019.0953 0.0000 0.0000 34081.9216 -149151.9549 297.6459 -183233.8765 -149060.7331 299.0127 3.5135 37.7754 559192.8262 8.7522 8.8581 PRESSURE: 4875400 21.0479 -166.473 -98.8469 -166.474 134.374 44.0172 -98.8457 44.0153 -51.0023 GPRESSURE: 4875400 33.6184 -198.736 -46.5679 -147.894 117.15 108.892 -134.633 111.424 40.4437 PRESSAVG: 4875400 33.158 -42.4492 20.5098 -42.4493 0.441964 22.4768 20.5098 22.4768 -31.046 GPRESSAVG: 4875400 30.9688 -43.8532 22.9343 -41.7977 0.558535 23.0596 18.5875 23.7705 -28.7073 TIMING: 4875400 CPU: 14116.1, 0.00288846/step Wall: 14116.1, 0.00288846/step, 0.0999728 hours remaining, 210.925781 MB of memory in use. ENERGY: 4875400 760.8274 2078.6926 1935.3249 119.7753 -206219.6707 17954.7754 0.0000 0.0000 34231.1670 -149139.1081 298.9493 -183370.2751 -149055.0950 299.2255 34.8067 63.7374 557655.0236 0.8513 0.9400 PRESSURE: 4875600 76.0977 95.0979 32.0119 95.0996 199.662 -140.209 32.0126 -140.207 -96.9986 GPRESSURE: 4875600 116.026 89.5196 -0.177339 25.5075 230.002 -200.166 85.2103 -64.8659 -77.6009 PRESSAVG: 4875600 87.7976 1.66049 43.5195 1.66054 -81.2571 24.8301 43.5195 24.8301 -40.1012 GPRESSAVG: 4875600 90.2517 2.64152 43.913 1.65885 -81.1401 25.7215 42.3246 23.72 -42.4022 TIMING: 4875600 CPU: 14116.7, 0.00289064/step Wall: 14116.7, 0.00289064/step, 0.0998876 hours remaining, 210.925781 MB of memory in use. ENERGY: 4875600 786.2417 2121.6222 1956.2478 112.2859 -206369.7319 17849.2711 0.0000 0.0000 34495.2805 -149048.7827 301.2559 -183544.0633 -148958.5378 299.5660 59.5870 89.4754 555178.0698 -11.1869 -11.0968 PRESSURE: 4875800 209.61 -92.6588 243.651 -92.6591 -41.1891 49.2902 243.652 49.2886 142.751 GPRESSURE: 4875800 204.766 -114.063 237.537 -54.4881 17.1562 135.804 233.016 -28.0488 188.921 PRESSAVG: 4875800 46.0833 -27.7134 7.9257 -27.7134 -25.5742 41.2722 7.92573 41.2722 1.94981 GPRESSAVG: 4875800 44.214 -25.8452 7.73727 -28.6184 -26.1898 40.0019 6.74681 41.3846 4.42085 TIMING: 4875800 CPU: 14117.2, 0.00288066/step Wall: 14117.2, 0.00288066/step, 0.0993827 hours remaining, 210.925781 MB of memory in use. ENERGY: 4875800 744.5129 2108.7215 1954.8254 109.9254 -206344.7381 17917.0268 0.0000 0.0000 34210.2292 -149299.4969 298.7664 -183509.7261 -149199.3408 300.1386 103.7239 136.9476 556056.7061 7.4863 7.4817 PRESSURE: 4876000 -115.908 238.703 16.1817 238.704 -207.06 79.5173 16.1824 79.518 -101.752 GPRESSURE: 4876000 -126.551 163.651 62.0843 292.667 -141.722 74.1412 -42.0753 99.2921 -74.1766 PRESSAVG: 4876000 46.818 36.4497 -22.1703 36.4497 24.8461 -11.907 -22.1702 -11.9068 11.0959 GPRESSAVG: 4876000 47.9014 35.1905 -23.5675 37.3152 24.5746 -12.306 -20.1746 -11.3919 10.2134 TIMING: 4876000 CPU: 14117.8, 0.00287475/step Wall: 14117.8, 0.00287475/step, 0.0990192 hours remaining, 210.925781 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: 4876000 729.3383 2094.3792 1940.8691 113.2161 -205906.9518 17461.6031 0.0000 0.0000 34141.5849 -149425.9611 298.1670 -183567.5460 -149332.8633 298.5382 -141.5733 -114.1500 556134.1867 27.5867 27.5632 PRESSURE: 4876200 -331.573 44.4142 -104.282 44.4139 192.226 -69.1634 -104.282 -69.1635 -13.7311 GPRESSURE: 4876200 -254.032 29.7109 -125.123 22.1524 220.043 -30.6739 -62.1271 -56.2345 -41.0422 PRESSAVG: 4876200 16.2945 -14.6707 20.8828 -14.6706 -42.3497 38.6573 20.8828 38.6574 26.415 GPRESSAVG: 4876200 16.9111 -15.361 20.9672 -15.0157 -42.0521 39.1338 20.1132 38.8291 25.37 TIMING: 4876200 CPU: 14118.4, 0.00287731/step Wall: 14118.4, 0.00287732/step, 0.0989477 hours remaining, 210.925781 MB of memory in use. ENERGY: 4876200 759.0306 2048.4180 1960.1968 114.8518 -206010.9664 17669.5037 0.0000 0.0000 34115.9121 -149343.0535 297.9427 -183458.9656 -149257.4047 299.1218 -51.0259 -25.0103 555801.2868 0.1199 0.0763 LDB: ============= START OF LOAD BALANCING ============== 14121.8 LDB: ============== END OF LOAD BALANCING =============== 14121.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14121.8 LDB: ============= START OF LOAD BALANCING ============== 14122.1 LDB: Largest compute 4799 load 0.026254 is 22.2% of average load 0.118095 LDB: Average compute 0.001721 is 1.5% of average load 0.118095 LDB: TIME 14122.1 LOAD: AVG 0.118095 MAX 0.179423 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.621 MB LDB: TIME 14122.1 LOAD: AVG 0.118095 MAX 0.179423 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.621 MB LDB: TIME 14122.1 LOAD: AVG 0.118095 MAX 0.179423 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.621 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14122.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14122.1 PRESSURE: 4876400 -105.132 27.3416 7.893 27.3416 -267.062 -65.4629 7.89321 -65.4637 -216.48 GPRESSURE: 4876400 -53.6499 19.1439 -65.8692 76.7349 -252.045 -82.9782 33.6267 -70.6826 -188.357 PRESSAVG: 4876400 0.703998 10.5024 -38.172 10.5024 -30.8777 -37.1982 -38.172 -37.1982 -19.3666 GPRESSAVG: 4876400 -0.212762 10.5933 -36.7584 9.71427 -29.6545 -36.6656 -37.7743 -37.6146 -19.2711 TIMING: 4876400 CPU: 14119, 0.00296001/step Wall: 14119, 0.00296001/step, 0.101627 hours remaining, 212.851562 MB of memory in use. ENERGY: 4876400 728.3265 2111.8789 1962.0604 107.9728 -205902.9293 17476.1454 0.0000 0.0000 34285.6637 -149230.8816 299.4252 -183516.5453 -149132.2788 299.3199 -196.2248 -164.6838 556570.2580 -16.5134 -16.3795 PRESSURE: 4876600 243.359 -154.174 -44.2934 -154.173 -8.94799 38.785 -44.2942 38.7837 4.88618 GPRESSURE: 4876600 303.678 -174.556 -26.028 -139.917 15.6365 169.857 -5.1565 18.6879 11.7696 PRESSAVG: 4876600 -16.9723 10.9354 37.0734 10.9355 10.0467 10.5522 37.0734 10.5521 -14.5273 GPRESSAVG: 4876600 -16.105 11.012 36.691 11.1229 9.48483 9.91314 36.863 10.1352 -14.6361 TIMING: 4876600 CPU: 14119.6, 0.0029301/step Wall: 14119.6, 0.0029301/step, 0.100437 hours remaining, 213.050781 MB of memory in use. ENERGY: 4876600 757.0932 2033.4912 1938.8360 112.5555 -206186.0098 17905.0425 0.0000 0.0000 34401.6737 -149037.3178 300.4384 -183438.9915 -148948.4295 299.7747 79.7659 110.3613 557335.4979 -7.1510 -7.0854 PRESSURE: 4876800 -98.4495 89.6389 22.6479 89.6382 227.86 33.8931 22.647 33.8947 117.069 GPRESSURE: 4876800 -114.659 193.349 37.7551 82.0775 250.701 115.348 77.8112 4.0193 210.725 PRESSAVG: 4876800 0.525682 -15.3821 -21.178 -15.3821 -9.53123 -1.86993 -21.178 -1.86984 -16.5015 GPRESSAVG: 4876800 -2.37779 -14.9403 -22.0784 -15.5356 -8.00861 -1.37745 -21.5429 -2.94994 -15.6829 TIMING: 4876800 CPU: 14120.1, 0.00289573/step Wall: 14120.1, 0.00289573/step, 0.0990984 hours remaining, 213.050781 MB of memory in use. ENERGY: 4876800 724.1309 2075.7224 1958.9615 113.2454 -206525.8552 18224.6575 0.0000 0.0000 34395.5005 -149033.6370 300.3845 -183429.1375 -148939.5331 299.3794 82.1600 115.5888 558219.8579 -8.5024 -8.6898 PRESSURE: 4877000 -189.425 101.864 -2.85281 101.864 -173.791 113.862 -2.8529 113.862 102.345 GPRESSURE: 4877000 -166.84 47.9031 27.3914 54.6729 -146.55 127.778 -26.7178 95.7989 152.443 PRESSAVG: 4877000 -11.9823 -45.5594 -16.1991 -45.5594 -9.48519 24.9096 -16.1991 24.9096 2.32523 GPRESSAVG: 4877000 -10.1829 -45.1765 -16.5363 -45.9831 -10.6905 24.9802 -14.9207 25.512 2.51086 TIMING: 4877000 CPU: 14120.7, 0.0029137/step Wall: 14120.7, 0.0029137/step, 0.0995515 hours remaining, 213.050781 MB of memory in use. ENERGY: 4877000 742.7836 2138.3491 1924.2582 117.7575 -206009.1778 17539.8135 0.0000 0.0000 34379.3025 -149166.9135 300.2430 -183546.2159 -149074.5890 300.0669 -86.9571 -53.6492 557078.7068 -6.3807 -6.1208 PRESSURE: 4877200 -205.055 -57.5545 -124.896 -57.5537 -168.745 -62.7708 -124.897 -62.771 35.3389 GPRESSURE: 4877200 -179.93 -73.0357 -139.923 -98.5976 -77.8256 11.554 -164.898 -132.384 12.0557 PRESSAVG: 4877200 39.2007 -40.7865 -33.2297 -40.7864 -25.4844 -2.15925 -33.2297 -2.15927 34.2805 GPRESSAVG: 4877200 39.1169 -40.9141 -32.7154 -39.8247 -25.0908 -2.38095 -35.5233 -2.25722 34.088 TIMING: 4877200 CPU: 14121.3, 0.00291676/step Wall: 14121.3, 0.00291676/step, 0.0994939 hours remaining, 213.050781 MB of memory in use. ENERGY: 4877200 791.8158 2085.7042 1940.2976 114.9089 -206174.9140 17640.6828 0.0000 0.0000 34330.8473 -149270.6574 299.8198 -183601.5047 -149178.2252 299.8331 -112.8204 -81.8999 556503.1369 15.9989 16.0380 PRESSURE: 4877400 -4.53718 16.0991 -230.696 16.099 -126.28 23.7961 -230.696 23.7968 -182.207 GPRESSURE: 4877400 67.3496 -26.4507 -178.575 -20.2635 -70.598 79.1589 -256.335 15.9295 -203.982 PRESSAVG: 4877400 -2.11277 34.0292 0.83503 34.029 4.58679 34.6956 0.835079 34.6957 23.6327 GPRESSAVG: 4877400 -1.83951 32.1613 2.91341 35.0722 3.66928 33.9045 0.949899 35.0217 24.5488 TIMING: 4877400 CPU: 14121.9, 0.00289564/step Wall: 14121.9, 0.00289564/step, 0.0986127 hours remaining, 213.050781 MB of memory in use. ENERGY: 4877400 740.2734 2041.0171 1938.7549 104.2066 -206194.2491 17718.2505 0.0000 0.0000 34203.3586 -149448.3879 298.7064 -183651.7466 -149344.7178 299.3816 -104.3412 -69.0768 558931.7920 8.7022 8.7929 PRESSURE: 4877600 17.0237 -158.583 -107.391 -158.583 -101.82 15.9046 -107.392 15.9035 -8.42435 GPRESSURE: 4877600 5.29599 -105.526 -146.167 -234.316 -16.7942 -45.5399 -48.5825 45.2624 10.3391 PRESSAVG: 4877600 3.30117 -52.9297 -17.4875 -52.9296 -19.8789 53.7374 -17.4876 53.7375 -18.4471 GPRESSAVG: 4877600 2.67937 -50.5746 -16.6887 -55.6648 -19.6571 55.902 -19.1108 52.566 -18.1414 TIMING: 4877600 CPU: 14122.5, 0.00291816/step Wall: 14122.5, 0.00291816/step, 0.0992175 hours remaining, 213.050781 MB of memory in use. ENERGY: 4877600 761.0186 2104.8734 1941.0965 104.4049 -206179.1088 17831.3819 0.0000 0.0000 34079.8827 -149356.4508 297.6281 -183436.3335 -149259.2436 299.3257 -31.0737 -0.3864 559781.5747 -11.6749 -11.7064 PRESSURE: 4877800 105.077 34.7304 51.9345 34.7303 -85.1938 136.862 51.9343 136.863 257.057 GPRESSURE: 4877800 118.866 44.8626 -28.6985 -6.61025 18.4401 122.542 116.889 171.645 230.953 PRESSAVG: 4877800 105.568 9.18326 -70.8058 9.18334 -6.66772 -12.6851 -70.8058 -12.6851 -55.6566 GPRESSAVG: 4877800 106.552 9.47136 -74.0784 11.1801 -6.46149 -14.503 -68.4297 -12.0717 -57.4822 TIMING: 4877800 CPU: 14123.1, 0.00292635/step Wall: 14123.1, 0.00292635/step, 0.0993334 hours remaining, 213.050781 MB of memory in use. ENERGY: 4877800 715.3352 2078.4623 1934.8746 108.1993 -206616.8810 18231.5433 0.0000 0.0000 34114.2033 -149434.2630 297.9278 -183548.4663 -149340.4166 298.6575 92.3135 122.7530 560237.5279 14.4144 14.2026 PRESSURE: 4878000 -74.4568 -120.518 -94.9146 -120.517 -166.79 301.968 -94.9144 301.969 -139.902 GPRESSURE: 4878000 4.23238 -62.5933 -90.1368 -217.586 -150.552 338.598 -102.174 250.545 -140.158 PRESSAVG: 4878000 20.6278 31.0662 -56.5118 31.0662 18.4202 -12.0449 -56.5118 -12.0449 -46.3388 GPRESSAVG: 4878000 20.4106 30.5686 -57.0354 29.7654 17.5465 -11.2429 -54.96 -11.6923 -45.5125 TIMING: 4878000 CPU: 14123.6, 0.00290734/step Wall: 14123.6, 0.00290734/step, 0.0985267 hours remaining, 213.050781 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: 4878000 735.8078 2038.5919 1940.8060 116.4208 -206142.3122 17632.1866 0.0000 0.0000 34178.0802 -149500.4188 298.4857 -183678.4991 -149411.4399 298.2720 -127.0495 -95.4926 558816.0547 -2.4303 -2.5184 PRESSURE: 4878200 95.3861 59.7735 52.222 59.7747 -74.3544 35.5793 52.2232 35.5815 -28.1734 GPRESSURE: 4878200 71.4203 115.811 41.3505 15.8511 0.944611 74.3165 4.65419 -32.6662 18.9202 PRESSAVG: 4878200 21.5804 30.7869 -44.5243 30.7869 20.1986 -26.0284 -44.5243 -26.0284 -60.0678 GPRESSAVG: 4878200 20.4264 30.105 -43.625 32.4741 21.2562 -26.8427 -45.3645 -25.2322 -59.4027 TIMING: 4878200 CPU: 14124.2, 0.00290966/step Wall: 14124.2, 0.00290966/step, 0.0984436 hours remaining, 213.050781 MB of memory in use. ENERGY: 4878200 747.4729 2079.5468 1938.9821 107.5428 -206637.2279 17914.3568 0.0000 0.0000 34242.2681 -149607.0583 299.0462 -183849.3264 -149514.1035 298.1407 -2.3806 30.4284 557256.2647 -6.0963 -5.9067 PRESSURE: 4878400 32.1393 114.371 8.3265 114.37 -104.443 -115.987 8.32662 -115.985 -142.432 GPRESSURE: 4878400 94.1413 175.81 -48.3736 109.907 -35.0511 -141.355 53.8816 -139.464 -174.944 PRESSAVG: 4878400 45.6236 22.0183 -9.70018 22.0182 -86.6443 -10.0226 -9.70023 -10.0225 15.1822 GPRESSAVG: 4878400 45.786 23.4785 -8.06646 20.3935 -86.9975 -9.6121 -9.63883 -11.2249 14.8666 TIMING: 4878400 CPU: 14124.8, 0.00292457/step Wall: 14124.8, 0.00292457/step, 0.0987854 hours remaining, 213.050781 MB of memory in use. ENERGY: 4878400 735.2608 2080.6188 1946.6455 113.4013 -206381.7186 17826.7431 0.0000 0.0000 33958.9778 -149720.0713 296.5722 -183679.0490 -149618.1485 297.1347 -71.5787 -38.6180 558588.2697 -8.6128 -8.7816 PRESSURE: 4878600 145.636 107.394 49.0289 107.393 68.7016 266.226 49.0292 266.225 35.5415 GPRESSURE: 4878600 181.7 73.3918 -8.33411 89.4507 107.054 300.068 37.6846 179.54 50.8995 PRESSAVG: 4878600 29.8908 49.1033 -16.1819 49.1033 -41.0437 13.7863 -16.1819 13.7862 12.9548 GPRESSAVG: 4878600 31.0278 47.8119 -17.5716 49.9329 -41.7135 15.3062 -16.7893 12.4528 13.0691 TIMING: 4878600 CPU: 14125.4, 0.00288564/step Wall: 14125.4, 0.00288564/step, 0.0973103 hours remaining, 213.050781 MB of memory in use. ENERGY: 4878600 740.0690 2094.1325 1962.1782 105.2057 -206756.8350 18035.9966 0.0000 0.0000 34142.6771 -149676.5760 298.1765 -183819.2531 -149583.0293 297.3924 83.2932 113.2176 557317.4476 0.6006 0.7945 PRESSURE: 4878800 -194.832 122.567 -59.0325 122.567 1.95559 -25.0457 -59.0307 -25.0451 -137.006 GPRESSURE: 4878800 -145.623 63.3044 -48.9358 181.539 -4.32835 -121.288 -56.9528 13.7275 -84.8594 PRESSAVG: 4878800 56.5697 17.9843 9.75891 17.9844 -72.3373 6.01927 9.75887 6.01929 45.5037 GPRESSAVG: 4878800 56.6455 18.8404 11.056 17.7481 -71.5555 4.15407 10.3268 8.17517 45.5206 TIMING: 4878800 CPU: 14126, 0.00291262/step Wall: 14126, 0.00291262/step, 0.0980581 hours remaining, 213.050781 MB of memory in use. ENERGY: 4878800 767.4147 2026.7032 1946.4997 109.8449 -206323.3290 17848.2352 0.0000 0.0000 33968.8644 -149655.7668 296.6585 -183624.6312 -149553.1240 297.2051 -109.9608 -78.2703 558641.0701 9.9121 10.2035 PRESSURE: 4879000 6.85098 -2.54956 -46.7332 -2.54897 187.272 -74.7428 -46.7324 -74.7437 59.4148 GPRESSURE: 4879000 12.4523 2.09964 -18.5409 47.1619 197.01 -93.7468 -0.854425 -77.9011 141.452 PRESSAVG: 4879000 -15.1848 31.6656 -3.83776 31.6656 -23.3443 -66.5794 -3.83785 -66.5794 33.4638 GPRESSAVG: 4879000 -14.775 30.8163 -4.5194 31.6763 -24.4502 -66.0998 -2.98079 -66.9134 33.8603 TIMING: 4879000 CPU: 14126.5, 0.00289931/step Wall: 14126.5, 0.00289931/step, 0.0974489 hours remaining, 213.050781 MB of memory in use. ENERGY: 4879000 725.8825 1984.3604 1965.1335 122.4711 -206484.0727 17878.8459 0.0000 0.0000 34075.4985 -149731.8808 297.5898 -183807.3793 -149633.0432 297.4556 84.5124 116.9713 557368.5688 -1.6884 -1.7883 PRESSURE: 4879200 -93.6288 137.447 -138.503 137.446 -1.95561 96.8439 -138.503 96.8435 101.572 GPRESSURE: 4879200 -32.3375 209.2 -113.265 81.9964 -4.37703 159.773 -191.314 18.1103 143.702 PRESSAVG: 4879200 -23.94 15.5195 -72.7405 15.5196 50.7641 41.4724 -72.7405 41.4725 -7.21491 GPRESSAVG: 4879200 -24.5103 16.2928 -74.2633 14.0665 51.9332 40.5934 -72.7586 41.3886 -7.79553 TIMING: 4879200 CPU: 14127.1, 0.00292539/step Wall: 14127.1, 0.00292539/step, 0.098163 hours remaining, 213.050781 MB of memory in use. ENERGY: 4879200 782.8501 1987.6063 1929.9266 111.6639 -206814.8014 17970.7950 0.0000 0.0000 34276.5805 -149755.3791 299.3459 -184031.9596 -149653.6163 297.7729 1.9959 35.6625 555590.2581 6.5364 6.5425 PRESSURE: 4879400 -38.5606 152.718 62.3226 152.717 -320.802 -108.549 62.3223 -108.55 105.694 GPRESSURE: 4879400 6.2202 178.213 78.1412 179.948 -266.4 -171.109 83.7272 -117.187 107.269 PRESSAVG: 4879400 38.4369 26.9626 -14.6034 26.9627 -4.51632 7.52243 -14.6033 7.52246 -8.08956 GPRESSAVG: 4879400 38.9743 26.5044 -14.7059 28.309 -5.3566 8.54791 -15.1943 5.85053 -7.39861 TIMING: 4879400 CPU: 14127.7, 0.00289692/step Wall: 14127.7, 0.00289692/step, 0.0970468 hours remaining, 213.050781 MB of memory in use. ENERGY: 4879400 726.1686 2039.8456 1952.7378 113.3016 -206505.9061 17787.8340 0.0000 0.0000 34236.7348 -149649.2836 298.9979 -183886.0184 -149552.2609 298.4388 -84.5559 -50.9703 556742.7133 8.6103 8.7397 PRESSURE: 4879600 -155.606 -38.6944 -34.5618 -38.6952 -308.292 -159.004 -34.5614 -159.003 -107.649 GPRESSURE: 4879600 -110.739 10.0917 -28.7477 -62.3346 -262.922 -189.251 -5.55812 -99.715 -115.602 PRESSAVG: 4879600 -2.22762 -2.79055 -9.03507 -2.79053 -37.6539 -57.9123 -9.03489 -57.9124 19.4929 GPRESSAVG: 4879600 -2.84638 -1.16349 -7.90335 -2.78424 -36.6315 -58.0726 -8.45906 -56.9237 18.8103 TIMING: 4879600 CPU: 14128.3, 0.00287938/step Wall: 14128.3, 0.00287938/step, 0.0962992 hours remaining, 213.050781 MB of memory in use. ENERGY: 4879600 775.3516 2094.1983 1955.8575 117.8662 -206091.5664 17497.5089 0.0000 0.0000 34014.0581 -149636.7258 297.0532 -183650.7840 -149546.0201 297.1646 -190.5158 -163.0875 556879.8632 -6.7962 -6.8892 PRESSURE: 4879800 134.567 -1.0183 -53.4643 -1.01756 19.111 156.619 -53.4639 156.62 -225.028 GPRESSURE: 4879800 128.373 11.049 9.55507 55.7786 133.095 185.425 -84.8873 121.597 -242.947 PRESSAVG: 4879800 -9.92985 -23.481 10.001 -23.481 -20.7177 -5.24741 10.0009 -5.2473 52.4107 GPRESSAVG: 4879800 -9.9423 -22.6923 12.3528 -23.2346 -20.2976 -4.7706 7.52516 -4.71539 52.2737 TIMING: 4879800 CPU: 14128.9, 0.00291017/step Wall: 14128.9, 0.00291017/step, 0.0971674 hours remaining, 213.050781 MB of memory in use. ENERGY: 4879800 727.3891 2097.9574 1944.5275 113.2560 -206449.3764 17924.1312 0.0000 0.0000 33986.2519 -149655.8633 296.8104 -183642.1153 -149556.5149 298.4019 -23.7833 6.1736 557892.8518 7.2544 7.3446 PRESSURE: 4880000 -308.386 8.22342 94.8151 8.22431 -130.685 -33.5676 94.8157 -33.568 -303.724 GPRESSURE: 4880000 -266.224 -44.7145 53.6038 -20.2127 -57.0295 -28.0626 155.978 -16.9379 -318.481 PRESSAVG: 4880000 88.6593 -0.290958 35.4671 -0.290882 -38.2873 11.3057 35.467 11.3058 -28.1898 GPRESSAVG: 4880000 89.1256 -2.98953 34.5475 -0.179447 -37.7264 11.8269 36.3838 10.9792 -28.974 TIMING: 4880000 CPU: 14129.4, 0.0029166/step Wall: 14129.4, 0.0029166/step, 0.0972202 hours remaining, 213.050781 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: 4880000 767.3026 2104.4333 1923.2324 102.0525 -206240.8991 17546.8247 0.0000 0.0000 34378.1820 -149418.8716 300.2332 -183797.0536 -149320.0596 298.6538 -247.5984 -213.9115 557853.6285 7.3941 7.4751 PRESSURE: 4880200 -102.083 9.43722 54.6892 9.43765 -12.6632 -56.033 54.6899 -56.032 19.5767 GPRESSURE: 4880200 -77.2519 -42.5428 12.1081 -18.5355 25.918 -39.275 67.6604 -89.0579 56.4229 PRESSAVG: 4880200 -29.7317 9.79778 -11.6019 9.79779 9.07691 -68.6679 -11.6019 -68.6679 -14.4763 GPRESSAVG: 4880200 -30.8574 9.30565 -14.0034 9.93863 9.6976 -69.7044 -10.6003 -69.2748 -13.5239 TIMING: 4880200 CPU: 14130, 0.00291397/step Wall: 14130, 0.00291397/step, 0.0969704 hours remaining, 213.050781 MB of memory in use. ENERGY: 4880200 733.6773 2086.1499 1941.7769 103.0677 -206144.5329 17623.7972 0.0000 0.0000 33992.3865 -149663.6774 296.8640 -183656.0639 -149571.2181 298.8149 -31.7233 1.6964 556756.6754 -11.7104 -11.5612 LDB: ============= START OF LOAD BALANCING ============== 14133.4 LDB: ============== END OF LOAD BALANCING =============== 14133.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14133.4 LDB: ============= START OF LOAD BALANCING ============== 14133.7 LDB: Largest compute 4799 load 0.025166 is 21.3% of average load 0.117998 LDB: Average compute 0.001722 is 1.5% of average load 0.117998 LDB: TIME 14133.7 LOAD: AVG 0.117998 MAX 0.177699 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.312 MB LDB: TIME 14133.7 LOAD: AVG 0.117998 MAX 0.177699 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.516 MB LDB: TIME 14133.7 LOAD: AVG 0.117998 MAX 0.177699 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14133.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14133.7 PRESSURE: 4880400 258.497 88.4121 186.689 88.4119 -2.33955 130.954 186.69 130.953 78.2391 GPRESSURE: 4880400 307.859 34.2766 92.7535 130.922 27.6242 154.246 149.169 119.528 99.9814 PRESSAVG: 4880400 73.7237 -35.6487 -12.6113 -35.6488 -36.5112 -2.78553 -12.6113 -2.7856 1.85722 GPRESSAVG: 4880400 72.2508 -36.0163 -11.7173 -35.5232 -35.0964 -2.44667 -13.3571 -2.53773 1.82411 TIMING: 4880400 CPU: 14130.6, 0.00295263/step Wall: 14130.6, 0.00295263/step, 0.098093 hours remaining, 211.574219 MB of memory in use. ENERGY: 4880400 738.0329 1995.7430 1921.9001 107.6469 -206676.4748 18064.6475 0.0000 0.0000 34239.2774 -149609.2270 299.0201 -183848.5044 -149517.6130 298.0675 111.4654 145.1549 557695.5147 13.0233 12.9928 PRESSURE: 4880600 -107.429 71.7755 -131.75 71.7763 5.86631 101.043 -131.751 101.042 -277.85 GPRESSURE: 4880600 -94.9386 90.3077 -36.1779 69.0806 47.6022 29.612 -84.7984 52.9043 -236.022 PRESSAVG: 4880600 87.3232 -30.423 -14.3383 -30.423 -6.376 54.3677 -14.3383 54.3676 -67.8555 GPRESSAVG: 4880600 89.1087 -26.9984 -14.3549 -30.8352 -8.55165 54.2341 -13.0502 53.2663 -67.1206 TIMING: 4880600 CPU: 14131.2, 0.00291393/step Wall: 14131.2, 0.00291394/step, 0.0966455 hours remaining, 211.777344 MB of memory in use. ENERGY: 4880600 728.2463 2057.2478 1944.1404 102.7400 -205993.3895 17660.7449 0.0000 0.0000 33942.8395 -149557.4306 296.4313 -183500.2701 -149465.1428 298.3855 -126.4710 -94.4529 558319.9788 4.3639 4.4788 PRESSURE: 4880800 -114.174 -91.7161 -75.0243 -91.7158 48.0252 -49.4189 -75.025 -49.4183 139.705 GPRESSURE: 4880800 -49.1036 -95.1757 -30.897 -45.3702 91.4926 36.4887 -33.298 -76.1644 154.04 PRESSAVG: 4880800 -37.7614 -24.0569 16.9477 -24.0569 -0.847263 -24.1485 16.9477 -24.1484 -8.64681 GPRESSAVG: 4880800 -37.6704 -26.8706 17.2817 -24.0884 -0.945924 -23.5029 17.1293 -23.7734 -8.38813 TIMING: 4880800 CPU: 14131.8, 0.00293222/step Wall: 14131.8, 0.00293222/step, 0.0970889 hours remaining, 211.777344 MB of memory in use. ENERGY: 4880800 737.2579 2042.2394 1943.1087 119.8676 -206309.7199 17920.0515 0.0000 0.0000 34142.0054 -149405.1895 298.1706 -183547.1949 -149312.1404 298.6953 24.5186 65.4765 559332.6392 -15.7518 -15.6682 PRESSURE: 4881000 340.184 78.8458 -108.813 78.8448 50.2528 -140.823 -108.812 -140.823 99.9776 GPRESSURE: 4881000 379.218 50.9113 -162.987 99.9898 94.3967 -108.496 -65.9516 -120.526 114.789 PRESSAVG: 4881000 6.47736 13.5028 -32.5977 13.5028 51.9112 -22.5555 -32.5977 -22.5555 -24.5947 GPRESSAVG: 4881000 7.09663 12.3433 -31.3411 14.7653 52.0916 -22.888 -32.4484 -22.9798 -25.7067 TIMING: 4881000 CPU: 14132.4, 0.0029122/step Wall: 14132.4, 0.0029122/step, 0.0962644 hours remaining, 211.777344 MB of memory in use. ENERGY: 4881000 741.8357 1989.3256 1936.7224 111.6878 -206726.8736 18190.2797 0.0000 0.0000 34256.7224 -149500.2998 299.1725 -183757.0223 -149412.8981 298.6933 163.4716 196.1345 556566.2188 11.2646 11.1605 PRESSURE: 4881200 5.83619 94.4163 54.7172 94.415 -24.3953 83.8068 54.7177 83.8074 236.931 GPRESSURE: 4881200 69.2497 72.4534 88.9819 128.556 -43.2264 148.924 58.6399 61.4401 280.752 PRESSAVG: 4881200 -29.3209 15.9742 9.6354 15.9741 -56.4 -1.81088 9.63547 -1.81084 54.1424 GPRESSAVG: 4881200 -30.5889 17.4035 9.51159 14.0208 -55.48 -2.02622 10.3602 -1.00794 54.533 TIMING: 4881200 CPU: 14132.9, 0.0029047/step Wall: 14132.9, 0.0029047/step, 0.0958551 hours remaining, 211.777344 MB of memory in use. ENERGY: 4881200 738.3926 2062.8751 1957.8283 107.3201 -206711.2809 18020.6607 0.0000 0.0000 34293.1584 -149531.0456 299.4907 -183824.2041 -149438.1884 298.2237 72.7905 102.2585 557693.5382 -10.5262 -10.5120 PRESSURE: 4881400 -99.3135 -41.0542 -60.9731 -41.0531 -101.231 -187.392 -60.9746 -187.393 -142.49 GPRESSURE: 4881400 -30.9652 -78.7949 -19.5825 38.7079 -64.9655 -126.647 22.8051 -134.826 -162.783 PRESSAVG: 4881400 -8.27865 -14.5398 4.28336 -14.5398 14.4082 13.8058 4.28343 13.8059 6.55019 GPRESSAVG: 4881400 -7.60116 -15.7015 5.23884 -11.9313 13.9709 15.0317 3.45684 12.8275 6.53231 TIMING: 4881400 CPU: 14133.5, 0.00289435/step Wall: 14133.5, 0.00289435/step, 0.0953528 hours remaining, 211.777344 MB of memory in use. ENERGY: 4881400 775.9179 2070.3232 1934.8384 103.9217 -205980.6956 17556.7353 0.0000 0.0000 34023.6692 -149515.2899 297.1372 -183538.9591 -149428.2633 298.4742 -114.3447 -86.2378 558421.8201 4.2266 4.3007 PRESSURE: 4881600 -95.8644 -101.073 188.627 -101.074 135.021 100.713 188.626 100.713 -203.312 GPRESSURE: 4881600 -97.0025 -203.245 185.642 1.92316 163.927 35.4274 188.168 178.481 -142.048 PRESSAVG: 4881600 21.4847 91.4587 67.5731 91.4586 57.2624 29.6726 67.573 29.6726 -72.7513 GPRESSAVG: 4881600 21.3084 93.5377 68.3869 89.7883 58.2139 27.4697 64.9423 30.7498 -73.3842 TIMING: 4881600 CPU: 14134.1, 0.00292181/step Wall: 14134.1, 0.00292181/step, 0.096095 hours remaining, 211.777344 MB of memory in use. ENERGY: 4881600 741.5464 2087.3372 1940.4562 130.1550 -206314.0635 17666.3177 0.0000 0.0000 34183.8906 -149564.3605 298.5364 -183748.2511 -149469.1191 298.2371 -54.7186 -25.0411 555641.7824 1.9986 2.0460 PRESSURE: 4881800 -22.7293 165.567 24.1042 165.565 91.8411 117.056 24.1031 117.056 115.138 GPRESSURE: 4881800 -20.6176 145.842 47.7568 186.178 118.567 82.1525 -8.42614 105.186 203.98 PRESSAVG: 4881800 -10.1073 -4.44515 73.349 -4.44522 7.2521 -7.3249 73.3491 -7.32495 29.6871 GPRESSAVG: 4881800 -8.91945 -4.96018 71.3507 -4.06253 5.64868 -5.60125 76.0526 -8.47872 30.6119 TIMING: 4881800 CPU: 14134.7, 0.00289561/step Wall: 14134.7, 0.00289561/step, 0.0950724 hours remaining, 211.777344 MB of memory in use. ENERGY: 4881800 742.0477 2046.0177 1949.8028 112.7842 -206494.5895 18048.7896 0.0000 0.0000 34106.7474 -149488.4002 297.8627 -183595.1476 -149391.5077 298.4178 61.4166 100.6434 557148.4414 8.9440 9.1137 PRESSURE: 4882000 -80.5318 88.7599 -27.5782 88.7601 -161.243 56.0006 -27.5783 56.0015 -11.0992 GPRESSURE: 4882000 -12.6684 78.9878 -37.0658 134.85 -164.385 100.329 -58.4009 99.2705 20.3413 PRESSAVG: 4882000 0.342922 40.3057 42.7908 40.3057 24.2855 16.6671 42.7908 16.6671 -23.4648 GPRESSAVG: 4882000 -0.184568 38.2255 44.1791 39.81 25.1192 16.5144 41.8719 16.7881 -23.8112 TIMING: 4882000 CPU: 14135.3, 0.00293385/step Wall: 14135.3, 0.00293385/step, 0.0961652 hours remaining, 211.777344 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: 4882000 769.9569 2138.6362 1931.5259 105.7282 -206241.5998 17766.5071 0.0000 0.0000 34096.0470 -149433.1987 297.7693 -183529.2456 -149335.5467 298.9250 -84.2915 -52.2375 558791.6629 0.3878 0.3745 PRESSURE: 4882200 -63.2394 -75.903 71.6611 -75.9026 18.8593 -4.04584 71.6621 -4.04579 -155.824 GPRESSURE: 4882200 -1.15217 -71.316 78.363 -144.686 28.7704 78.9617 128.562 3.80403 -116.959 PRESSAVG: 4882200 -42.135 -20.1885 65.1373 -20.1886 -0.224012 -22.4056 65.1373 -22.4057 25.5931 GPRESSAVG: 4882200 -41.5214 -18.1625 65.1035 -21.0338 -0.338813 -20.5791 65.6901 -21.9147 25.6215 TIMING: 4882200 CPU: 14135.9, 0.00293044/step Wall: 14135.9, 0.00293044/step, 0.0958906 hours remaining, 211.777344 MB of memory in use. ENERGY: 4882200 744.3329 2089.7986 1967.8803 105.3251 -206330.3759 17850.5582 0.0000 0.0000 34135.7173 -149436.7636 298.1157 -183572.4808 -149339.4172 298.5651 -66.7346 -29.7802 557623.0848 -5.5887 -5.4129 PRESSURE: 4882400 91.1775 35.0963 -87.2732 35.0938 -49.1628 -23.4347 -87.273 -23.4352 -0.962075 GPRESSURE: 4882400 68.7526 35.8563 -128.582 36.6356 -10.9271 -68.7544 11.1096 -44.3302 81.6207 PRESSAVG: 4882400 6.37367 -23.9908 7.92367 -23.9909 18.6397 -51.1847 7.92371 -51.1846 -41.7651 GPRESSAVG: 4882400 5.68632 -24.3078 6.86332 -22.889 18.978 -52.9926 9.56847 -51.8636 -41.7529 TIMING: 4882400 CPU: 14136.4, 0.00290793/step Wall: 14136.4, 0.00290793/step, 0.0949924 hours remaining, 211.777344 MB of memory in use. ENERGY: 4882400 743.7856 2098.8597 1928.2127 110.4776 -206445.8364 17797.7156 0.0000 0.0000 34245.0756 -149521.7097 299.0708 -183766.7853 -149424.5776 297.7773 13.6842 46.4820 558419.7475 -5.5839 -5.6962 PRESSURE: 4882600 187.681 -105.547 -81.9618 -105.546 277.731 68.4048 -81.9629 68.405 104.305 GPRESSURE: 4882600 204.427 -108.471 -66.9744 -135.31 322.819 -14.0709 -119.048 31.1303 130.163 PRESSAVG: 4882600 -26.9275 -27.6337 43.8197 -27.6337 -8.29553 9.04708 43.8197 9.04706 95.6223 GPRESSAVG: 4882600 -27.389 -27.7743 44.3649 -29.7278 -7.72611 8.46762 40.94 10.6213 95.9128 TIMING: 4882600 CPU: 14137, 0.00291044/step Wall: 14137, 0.00291044/step, 0.0949126 hours remaining, 211.777344 MB of memory in use. ENERGY: 4882600 722.0518 2108.2158 1944.2853 109.5278 -206560.9752 18023.5977 0.0000 0.0000 34218.6699 -149434.6270 298.8402 -183653.2968 -149338.4167 298.1137 189.9057 219.1362 557716.0674 20.1331 20.2659 PRESSURE: 4882800 -80.3612 -26.3136 -56.5312 -26.3124 97.1574 -129.314 -56.5287 -129.314 93.757 GPRESSURE: 4882800 -26.8362 -89.6542 -53.1193 -7.70322 104.516 -145.368 -74.9348 -117.209 125.702 PRESSAVG: 4882800 -64.1537 -2.03086 52.7295 -2.03084 22.7027 -31.3881 52.7295 -31.3881 23.6938 GPRESSAVG: 4882800 -63.9355 -0.606386 53.9329 -3.00672 21.4387 -31.365 52.1885 -30.8648 24.4441 TIMING: 4882800 CPU: 14137.6, 0.00291305/step Wall: 14137.6, 0.00291305/step, 0.0948359 hours remaining, 211.777344 MB of memory in use. ENERGY: 4882800 738.3456 2105.7687 1946.0605 97.5424 -206419.1615 18032.1605 0.0000 0.0000 34017.1727 -149482.1111 297.0804 -183499.2838 -149391.0965 297.8606 36.8511 67.7942 558393.0550 -5.9190 -6.0176 PRESSURE: 4883000 -10.2139 -19.1208 -13.6633 -19.1204 67.1314 63.2081 -13.6629 63.2079 -47.7775 GPRESSURE: 4883000 48.9325 -91.4738 -30.1 0.00923301 39.1914 -43.3037 50.9059 135.563 12.6083 PRESSAVG: 4883000 15.6821 -16.513 54.751 -16.5131 -1.3107 -16.2608 54.7511 -16.2609 -6.11912 GPRESSAVG: 4883000 15.5834 -17.9993 51.8671 -13.6414 -1.12327 -16.591 57.107 -16.3873 -6.99527 TIMING: 4883000 CPU: 14138.2, 0.00290265/step Wall: 14138.2, 0.00290265/step, 0.0943363 hours remaining, 211.777344 MB of memory in use. ENERGY: 4883000 753.9711 2092.3623 1984.7285 112.4074 -206390.7285 17902.9636 0.0000 0.0000 34070.1449 -149474.1506 297.5430 -183544.2955 -149383.5900 297.5871 3.0467 33.5774 557471.5165 2.7508 2.4883 PRESSURE: 4883200 38.9058 21.053 -236.1 21.0534 -161.67 9.7908 -236.101 9.79057 -158.16 GPRESSURE: 4883200 17.667 46.4185 -246.838 41.8237 -129.083 42.4876 -185.429 -111.18 -80.9474 PRESSAVG: 4883200 -19.0117 21.1052 -1.36905 21.1051 26.6803 -18.6817 -1.36906 -18.6817 15.8707 GPRESSAVG: 4883200 -18.6886 20.754 -0.380036 20.9133 26.7478 -19.1723 -2.16852 -19.558 16.1395 TIMING: 4883200 CPU: 14138.8, 0.00291879/step Wall: 14138.8, 0.00291879/step, 0.0946985 hours remaining, 211.777344 MB of memory in use. ENERGY: 4883200 747.3961 2045.1345 1959.3297 114.0652 -205993.2968 17745.6036 0.0000 0.0000 34055.4051 -149326.3626 297.4143 -183381.7678 -149234.1219 298.7081 -93.6414 -64.1211 558804.2057 7.8464 8.0662 PRESSURE: 4883400 -169.489 -107.985 75.459 -107.986 -116.464 66.4896 75.4588 66.49 36.1165 GPRESSURE: 4883400 -156.784 -41.26 167.411 -118.585 2.36344 27.6368 35.8211 -22.1969 2.78996 PRESSAVG: 4883400 25.5806 -50.9933 11.8954 -50.9933 -34.5537 16.2462 11.8953 16.2463 16.1563 GPRESSAVG: 4883400 25.4701 -50.8678 12.4416 -49.8996 -35.1505 18.4252 10.369 16.6497 16.2011 TIMING: 4883400 CPU: 14139.4, 0.00288815/step Wall: 14139.4, 0.00288815/step, 0.0935439 hours remaining, 211.777344 MB of memory in use. ENERGY: 4883400 735.1307 2059.9334 1945.1804 99.8619 -206179.6335 17830.1662 0.0000 0.0000 34135.6282 -149373.7328 298.1149 -183509.3610 -149269.7071 298.8950 -83.2787 -50.5434 559182.9857 2.3944 2.1735 PRESSURE: 4883600 -51.3729 218.625 13.6289 218.626 47.5426 -10.3035 13.6298 -10.3035 241.942 GPRESSURE: 4883600 15.8481 216.857 62.8071 222.933 27.5327 -8.28528 -7.58822 49.1835 298.077 PRESSAVG: 4883600 -34.2492 30.4566 -6.37989 30.4566 -9.64921 41.2196 -6.37994 41.2196 48.1001 GPRESSAVG: 4883600 -33.3933 31.467 -4.74711 29.7589 -11.061 39.1089 -6.93997 42.9041 48.7964 TIMING: 4883600 CPU: 14139.9, 0.00291314/step Wall: 14139.9, 0.00291314/step, 0.0941916 hours remaining, 211.777344 MB of memory in use. ENERGY: 4883600 801.9475 2074.4632 1982.6992 134.5052 -206788.2684 18197.2572 0.0000 0.0000 34175.3450 -149422.0510 298.4618 -183597.3960 -149329.9009 297.9782 79.3707 113.8193 557835.8176 1.4006 1.4474 PRESSURE: 4883800 -109.81 -140.098 -96.8502 -140.098 -40.4368 -60.6369 -96.8503 -60.6364 -145.049 GPRESSURE: 4883800 -84.4996 -216.024 -126.843 -79.8191 -5.33413 -94.5076 -128.716 -3.79765 -126.188 PRESSAVG: 4883800 24.1564 -20.2203 -55.7766 -20.2203 -59.8308 -53.0866 -55.7765 -53.0865 0.683241 GPRESSAVG: 4883800 23.3038 -20.9199 -57.2592 -19.5984 -59.7183 -50.4706 -56.2444 -55.1992 1.08518 TIMING: 4883800 CPU: 14140.5, 0.00289703/step Wall: 14140.5, 0.00289703/step, 0.0935097 hours remaining, 211.777344 MB of memory in use. ENERGY: 4883800 795.7877 2033.6331 1953.1327 104.4268 -206367.2815 17835.5756 0.0000 0.0000 34216.9135 -149427.8121 298.8248 -183644.7256 -149325.4880 298.2853 -98.4321 -72.0072 558241.2629 -11.6637 -11.7764 PRESSURE: 4884000 -230.978 -107.163 6.52203 -107.162 -84.2731 -79.6125 6.52083 -79.6131 70.8715 GPRESSURE: 4884000 -217.682 -190.902 54.659 12.1783 -14.7341 -145.196 3.96473 58.4408 82.7002 PRESSAVG: 4884000 26.1548 -37.4729 -91.8843 -37.4728 3.59854 -47.0324 -91.8843 -47.0325 -43.2405 GPRESSAVG: 4884000 25.3999 -37.3993 -92.4229 -35.5485 4.87264 -47.0057 -90.1291 -45.4445 -44.0169 TIMING: 4884000 CPU: 14141.1, 0.00287207/step Wall: 14141.1, 0.00287207/step, 0.0925445 hours remaining, 211.777344 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: 4884000 737.8628 2064.3719 1977.0655 120.4743 -206500.0944 17799.2172 0.0000 0.0000 34273.6296 -149527.4730 299.3201 -183801.1025 -149429.7741 299.0081 -81.4599 -49.9053 558395.1689 -4.4957 -4.5815 PRESSURE: 4884200 5.77043 156.558 -17.7783 156.557 -245.93 -39.0997 -17.7789 -39.0993 152.969 GPRESSURE: 4884200 1.46411 124.516 17.8305 130.647 -207.545 4.82468 -76.0555 -85.7736 208.521 PRESSAVG: 4884200 66.0237 -34.5234 -70.5686 -34.5235 -31.0221 -7.53481 -70.5685 -7.53473 -18.6931 GPRESSAVG: 4884200 66.9273 -34.0219 -68.991 -35.958 -32.802 -7.217 -70.9397 -10.4064 -17.9964 TIMING: 4884200 CPU: 14141.7, 0.00289745/step Wall: 14141.7, 0.00289745/step, 0.0932012 hours remaining, 211.777344 MB of memory in use. ENERGY: 4884200 734.0322 2043.4094 1934.8605 125.7015 -206380.0425 17858.3870 0.0000 0.0000 34300.0761 -149383.5758 299.5511 -183683.6519 -149283.0481 298.5587 -29.0634 0.8135 557252.7582 5.4362 5.3763 LDB: ============= START OF LOAD BALANCING ============== 14145.1 LDB: ============== END OF LOAD BALANCING =============== 14145.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14145.1 LDB: ============= START OF LOAD BALANCING ============== 14145.3 LDB: Largest compute 4799 load 0.026756 is 22.7% of average load 0.117948 LDB: Average compute 0.001728 is 1.5% of average load 0.117948 LDB: TIME 14145.3 LOAD: AVG 0.117948 MAX 0.177805 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.512 MB LDB: TIME 14145.3 LOAD: AVG 0.117948 MAX 0.177805 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: TIME 14145.4 LOAD: AVG 0.117948 MAX 0.177805 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14145.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14145.4 PRESSURE: 4884400 265.987 142.121 -159.859 142.122 241.155 56.8795 -159.859 56.8789 9.06471 GPRESSURE: 4884400 251.502 181.852 -173.548 67.8602 285.436 76.2762 -159.742 38.2233 71.3844 PRESSAVG: 4884400 45.1476 12.115 -33.9242 12.1151 -53.6546 -4.22168 -33.9241 -4.2217 17.4264 GPRESSAVG: 4884400 45.5634 12.6317 -37.0703 10.6335 -53.8951 -5.05923 -33.8757 -2.91517 17.179 TIMING: 4884400 CPU: 14142.3, 0.00295724/step Wall: 14142.3, 0.00295724/step, 0.0949603 hours remaining, 213.296875 MB of memory in use. ENERGY: 4884400 704.8641 2026.2134 1957.4395 101.6634 -206498.8072 18145.4533 0.0000 0.0000 34022.0295 -149541.1441 297.1228 -183563.1736 -149449.6176 298.8974 172.0690 202.7739 558805.0474 2.9731 2.9491 PRESSURE: 4884600 51.008 21.5553 218.587 21.5552 -228.979 -76.2076 218.588 -76.2064 -131.297 GPRESSURE: 4884600 91.8655 3.49264 219.228 71.2884 -203.764 -75.4765 109.366 -56.7304 -90.0346 PRESSAVG: 4884600 55.35 21.3581 -32.8764 21.3581 5.58029 -36.0751 -32.8764 -36.0751 -47.1371 GPRESSAVG: 4884600 55.5387 21.6281 -31.6558 22.1474 5.87118 -35.8893 -32.6086 -35.9423 -47.1815 TIMING: 4884600 CPU: 14142.8, 0.00291937/step Wall: 14142.8, 0.00291937/step, 0.0935821 hours remaining, 213.953125 MB of memory in use. ENERGY: 4884600 759.8846 2109.4034 1933.4544 95.8508 -206590.1567 17927.9353 0.0000 0.0000 34122.5618 -149641.0663 298.0008 -183763.6282 -149540.7755 298.6801 -103.0894 -67.3112 558732.1099 4.5977 4.7428 PRESSURE: 4884800 -49.1002 -35.7664 -36.5771 -35.7666 122.947 137.395 -36.5783 137.394 -61.4212 GPRESSURE: 4884800 25.2041 42.0644 43.6646 -33.0538 167.916 191.636 -20.9229 113.098 -86.8392 PRESSAVG: 4884800 -3.62806 -24.4887 -51.957 -24.4887 30.809 -44.7487 -51.9572 -44.7487 -69.7655 GPRESSAVG: 4884800 -4.23999 -28.0252 -50.6739 -22.7978 30.4471 -44.4154 -51.5685 -43.502 -69.3383 TIMING: 4884800 CPU: 14143.4, 0.00295288/step Wall: 14143.4, 0.00295288/step, 0.0944923 hours remaining, 213.953125 MB of memory in use. ENERGY: 4884800 725.1146 2119.6230 1934.5091 112.4033 -206831.1401 17923.2208 0.0000 0.0000 34338.7211 -149677.5482 299.8886 -184016.2693 -149581.6220 298.6238 4.1417 35.4268 557304.5482 -14.1949 -14.3771 PRESSURE: 4885000 -194.191 75.8429 106.176 75.8429 -343.979 -17.446 106.176 -17.4467 -20.6909 GPRESSURE: 4885000 -130.875 78.0688 121.478 115.718 -345.774 -57.5753 84.2281 -26.6889 -0.845979 PRESSAVG: 4885000 9.50045 -35.8794 -7.23403 -35.8795 37.6667 -18.2675 -7.23393 -18.2675 -18.3236 GPRESSAVG: 4885000 10.7937 -34.0598 -8.98545 -36.1457 37.1053 -16.8261 -7.09684 -18.3946 -18.9759 TIMING: 4885000 CPU: 14144, 0.00294105/step Wall: 14144, 0.00294105/step, 0.0939504 hours remaining, 213.953125 MB of memory in use. ENERGY: 4885000 714.4076 2071.7875 1938.5289 116.6784 -206282.0630 17480.0429 0.0000 0.0000 34277.4753 -149683.1423 299.3537 -183960.6176 -149582.5784 298.5814 -186.2867 -159.1652 557874.9360 9.6145 9.6410 PRESSURE: 4885200 -68.2747 75.8339 3.54624 75.8338 -177.707 234.663 3.54489 234.663 -517.576 GPRESSURE: 4885200 -74.7334 46.5156 54.23 62.3624 -149.44 333.015 -13.6528 131.287 -438.519 PRESSAVG: 4885200 30.8853 34.1876 -10.0638 34.1877 -19.094 -6.04511 -10.0639 -6.04509 4.36557 GPRESSAVG: 4885200 29.7039 36.8367 -10.7385 32.639 -19.2726 -8.79789 -8.85919 -5.9122 6.13029 TIMING: 4885200 CPU: 14144.6, 0.00295414/step Wall: 14144.6, 0.00295414/step, 0.0942042 hours remaining, 213.953125 MB of memory in use. ENERGY: 4885200 752.1934 2005.9359 1939.0374 114.0705 -206147.9937 17566.2161 0.0000 0.0000 34010.9270 -149759.6135 297.0259 -183770.5405 -149673.2892 297.6340 -254.5191 -220.8975 557796.9950 5.3856 5.5205 PRESSURE: 4885400 90.2237 -6.68625 -148.617 -6.6861 50.3408 -13.1338 -148.615 -13.1352 234.043 GPRESSURE: 4885400 105.372 -10.9014 -101.478 -50.2589 145.848 -95.0272 -123.627 -62.6591 213.581 PRESSAVG: 4885400 33.8411 -11.493 -13.9 -11.4931 38.8522 -30.1767 -13.8999 -30.1767 -124.238 GPRESSAVG: 4885400 32.9396 -11.296 -10.5529 -10.7649 40.4594 -27.5731 -16.7924 -31.1382 -125.78 TIMING: 4885400 CPU: 14145.2, 0.0029266/step Wall: 14145.2, 0.0029266/step, 0.0931634 hours remaining, 213.953125 MB of memory in use. ENERGY: 4885400 688.7312 1998.1938 1950.1253 115.1193 -206575.0917 17885.1072 0.0000 0.0000 34033.6555 -149904.1595 297.2244 -183937.8150 -149807.4736 297.6627 124.8692 154.9337 555617.6293 -17.1815 -17.4604 PRESSURE: 4885600 -199.363 -122.983 -136.533 -122.983 -49.5435 88.2167 -136.532 88.2154 -145.927 GPRESSURE: 4885600 -155.481 -154.113 -118.473 -120.02 -20.9851 142.676 -223.547 -14.7668 -115.648 PRESSAVG: 4885600 -6.33321 6.82511 -22.3692 6.82501 -37.2587 -15.309 -22.3692 -15.3089 15.6137 GPRESSAVG: 4885600 -6.68312 5.88885 -24.3542 6.89146 -36.7708 -14.8845 -23.1472 -15.7397 15.1924 TIMING: 4885600 CPU: 14145.8, 0.00293047/step Wall: 14145.8, 0.00293047/step, 0.0931237 hours remaining, 213.953125 MB of memory in use. ENERGY: 4885600 693.2257 2056.4784 1929.4343 124.0495 -206041.3664 17432.4025 0.0000 0.0000 33932.7860 -149872.9901 296.3435 -183805.7761 -149772.2527 296.9659 -131.6112 -97.3714 555578.2186 -9.3261 -9.4205 PRESSURE: 4885800 -393.293 113.644 -71.1799 113.644 158.614 49.1822 -71.1794 49.1821 -240.827 GPRESSURE: 4885800 -284.135 67.1643 -10.639 129.823 154.093 80.2772 -156.727 9.92326 -247.321 PRESSAVG: 4885800 -1.04944 18.5428 -10.0335 18.5428 -24.594 8.30777 -10.0335 8.30783 60.8314 GPRESSAVG: 4885800 0.0773249 18.5811 -9.22659 17.201 -26.7098 7.33836 -10.1973 9.31422 61.9105 TIMING: 4885800 CPU: 14146.4, 0.00291473/step Wall: 14146.4, 0.00291473/step, 0.0924619 hours remaining, 213.953125 MB of memory in use. ENERGY: 4885800 741.7791 2131.0455 1927.5933 100.1122 -206038.9935 17571.5066 0.0000 0.0000 33974.6631 -149592.2937 296.7092 -183566.9568 -149496.6187 297.5708 -158.5019 -125.7876 558294.5911 11.7293 11.7594 PRESSURE: 4886000 -100.088 125.46 -81.1157 125.459 -50.9274 -21.3539 -81.1164 -21.3537 112.929 GPRESSURE: 4886000 -61.2175 76.0937 -74.53 144.3 5.55335 20.8736 -106.131 -113.287 116.376 PRESSAVG: 4886000 -80.6906 -48.9469 -20.0026 -48.947 31.4543 25.5949 -20.0027 25.5949 53.0018 GPRESSAVG: 4886000 -81.5048 -48.2361 -21.1013 -47.2239 32.8882 24.9621 -18.99 24.8083 52.3029 TIMING: 4886000 CPU: 14147, 0.00293733/step Wall: 14147, 0.00293733/step, 0.0930154 hours remaining, 213.953125 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: 4886000 731.3529 2062.3187 1948.0786 107.2045 -206753.3452 17992.6403 0.0000 0.0000 34247.2871 -149664.4632 299.0901 -183911.7503 -149569.9813 298.2372 -12.6953 20.2371 557078.1399 1.2552 1.2288 PRESSURE: 4886200 211.076 72.1295 -136.395 72.1279 -87.3851 159.932 -136.394 159.932 59.3023 GPRESSURE: 4886200 261.509 45.0309 -10.6007 79.4465 -73.3025 92.8667 -162.901 164.018 94.7947 PRESSAVG: 4886200 24.2277 38.975 -26.5138 38.9749 -50.8893 22.81 -26.5139 22.8099 -6.86866 GPRESSAVG: 4886200 23.4264 38.8337 -27.3572 38.7846 -50.5523 23.4172 -22.9746 23.7662 -6.30306 TIMING: 4886200 CPU: 14147.5, 0.00295135/step Wall: 14147.5, 0.00295135/step, 0.0932953 hours remaining, 213.953125 MB of memory in use. ENERGY: 4886200 744.0096 2084.9033 1961.2129 106.0496 -206799.5844 18094.6804 0.0000 0.0000 34170.4498 -149638.2788 298.4190 -183808.7285 -149542.5403 297.3545 60.9977 94.3339 557695.9522 -11.1768 -11.1430 PRESSURE: 4886400 -251.494 -137.681 21.8055 -137.681 -1.36843 -42.8353 21.8035 -42.8345 -50.0434 GPRESSURE: 4886400 -239.839 -151.227 1.90415 -104.685 33.7297 -54.3719 33.2442 -99.8873 6.24274 PRESSAVG: 4886400 69.0438 -7.16132 9.75651 -7.1614 -18.9942 -10.3118 9.75658 -10.3119 -31.3446 GPRESSAVG: 4886400 70.1024 -7.22916 10.5705 -7.39274 -19.6149 -9.41674 7.00188 -9.81988 -32.1175 TIMING: 4886400 CPU: 14148.1, 0.0029363/step Wall: 14148.1, 0.0029363/step, 0.0926567 hours remaining, 213.953125 MB of memory in use. ENERGY: 4886400 729.0814 2054.0935 1972.8184 120.2120 -206406.7409 17655.9869 0.0000 0.0000 34246.5188 -149628.0299 299.0834 -183874.5487 -149529.9251 298.1646 -100.9686 -66.6223 557404.4937 6.2350 6.1233 PRESSURE: 4886600 178.92 38.6815 4.68695 38.6826 76.315 -106.735 4.68612 -106.735 -36.5071 GPRESSURE: 4886600 234.143 -23.6784 8.63849 37.2726 94.9736 -187.212 -41.7154 -123.756 -19.9685 PRESSAVG: 4886600 -21.6058 3.33548 51.4135 3.33551 39.1511 -47.5224 51.4135 -47.5222 -6.57341 GPRESSAVG: 4886600 -22.8153 4.11264 50.1941 3.69816 39.791 -47.229 51.5567 -49.425 -6.34034 TIMING: 4886600 CPU: 14148.7, 0.00290524/step Wall: 14148.7, 0.00290524/step, 0.091515 hours remaining, 213.953125 MB of memory in use. ENERGY: 4886600 734.7518 2136.7659 1946.1286 125.8008 -206676.2571 18061.1486 0.0000 0.0000 34320.2257 -149351.4358 299.7271 -183671.6615 -149253.1291 299.0387 72.9094 103.0493 556356.9299 3.6573 3.5451 PRESSURE: 4886800 118.859 161.415 11.439 161.414 -186.652 -100.345 11.4391 -100.345 -74.5346 GPRESSURE: 4886800 146.979 112.129 -25.3382 147.59 -127.903 -86.7899 5.35007 -134.068 -77.3786 PRESSAVG: 4886800 -26.2673 -9.89984 70.7715 -9.89988 7.64491 -44.4465 70.7716 -44.4466 -5.51488 GPRESSAVG: 4886800 -25.5946 -9.76692 72.2898 -9.00662 6.48235 -44.8029 70.7746 -44.112 -5.09065 TIMING: 4886800 CPU: 14149.3, 0.00292515/step Wall: 14149.3, 0.00292515/step, 0.0919796 hours remaining, 213.953125 MB of memory in use. ENERGY: 4886800 768.1214 2080.9978 1967.3110 107.9660 -206635.0009 17886.5258 0.0000 0.0000 34355.8897 -149468.1891 300.0385 -183824.0788 -149373.1461 299.2962 -47.4425 -19.4342 556821.7815 -8.0458 -8.0676 PRESSURE: 4887000 40.0227 97.9313 30.5195 97.932 -99.3492 150.565 30.52 150.563 -69.341 GPRESSURE: 4887000 95.7577 -21.3214 18.1552 95.7248 -72.1742 157.975 66.1858 113.287 -63.8626 PRESSAVG: 4887000 -15.9068 -56.2861 -30.5919 -56.2861 -39.5219 -26.4951 -30.5919 -26.4952 61.2495 GPRESSAVG: 4887000 -16.1078 -56.8009 -29.6006 -56.6102 -38.7142 -26.4401 -31.7861 -27.0673 60.2163 TIMING: 4887000 CPU: 14149.9, 0.00291202/step Wall: 14149.9, 0.00291202/step, 0.091405 hours remaining, 213.953125 MB of memory in use. ENERGY: 4887000 770.0877 2046.5311 1961.0697 105.1384 -206386.8224 17802.0276 0.0000 0.0000 34227.9291 -149474.0388 298.9210 -183701.9679 -149377.2667 299.1418 -42.8892 -13.4264 557678.9157 1.9403 1.7981 PRESSURE: 4887200 244.268 30.7189 103.525 30.7194 181.962 -138.667 103.525 -138.667 -17.4579 GPRESSURE: 4887200 263.996 70.178 171.369 -26.2819 216.404 -148.848 100.807 -118.891 28.1598 PRESSAVG: 4887200 45.8848 -1.58391 16.8552 -1.58386 -46.3321 70.5493 16.8552 70.5492 -15.4342 GPRESSAVG: 4887200 45.9929 -2.76297 13.5397 -1.30298 -46.4764 71.3605 18.2523 70.3029 -15.3517 TIMING: 4887200 CPU: 14150.5, 0.00293306/step Wall: 14150.5, 0.00293306/step, 0.0919025 hours remaining, 213.953125 MB of memory in use. ENERGY: 4887200 735.1581 2076.8077 1960.0644 104.6247 -206472.6650 18114.5347 0.0000 0.0000 34037.0556 -149444.4198 297.2541 -183481.4754 -149340.5054 298.6389 136.2574 169.5198 556976.0523 -5.2938 -5.2784 PRESSURE: 4887400 -183.193 -9.92054 51.1176 -9.91987 -281.728 124.929 51.1182 124.93 -215.461 GPRESSURE: 4887400 -177.156 -11.376 35.3279 -40.6227 -235.597 115.196 7.25333 92.8337 -172.082 PRESSAVG: 4887400 39.5767 -71.6626 28.9508 -71.6627 -42.3895 6.38092 28.9508 6.38088 13.5969 GPRESSAVG: 4887400 40.1527 -70.9193 31.1128 -73.2465 -42.3826 7.21668 27.3052 6.53474 12.4723 TIMING: 4887400 CPU: 14151.1, 0.00294081/step Wall: 14151.1, 0.00294081/step, 0.091982 hours remaining, 213.953125 MB of memory in use. ENERGY: 4887400 723.5576 2048.1308 1972.0125 124.5040 -205833.8775 17493.7398 0.0000 0.0000 34121.3580 -149350.5749 297.9903 -183471.9330 -149255.6446 298.9851 -226.7938 -194.9451 557811.5729 3.5947 3.4141 PRESSURE: 4887600 11.8856 63.044 188.664 63.0443 -38.6832 47.4816 188.664 47.4825 -229.989 GPRESSURE: 4887600 -26.7597 68.7319 110.26 0.00913476 -14.948 31.7023 242.436 10.7002 -130.131 PRESSAVG: 4887600 54.2304 6.86199 0.500809 6.86202 -29.2744 40.4715 0.500875 40.4715 22.3161 GPRESSAVG: 4887600 53.4181 7.28883 -1.60882 5.6996 -29.4576 37.9902 2.38887 42.5456 22.7496 TIMING: 4887600 CPU: 14151.6, 0.00291748/step Wall: 14151.6, 0.00291748/step, 0.0910903 hours remaining, 213.953125 MB of memory in use. ENERGY: 4887600 706.0854 2081.3658 1950.2045 101.5501 -206250.3109 17706.3447 0.0000 0.0000 34269.4488 -149435.3116 299.2836 -183704.7604 -149342.8961 298.9670 -85.5954 -57.2794 558191.1557 15.7573 15.5700 PRESSURE: 4887800 -8.14257 -27.2625 -50.5565 -27.263 -303.784 17.1673 -50.5577 17.1684 166.251 GPRESSURE: 4887800 3.54695 -33.5493 6.09908 43.4324 -291.899 29.689 -92.2788 -11.697 236.414 PRESSAVG: 4887800 13.3181 -25.6066 26.065 -25.6066 24.5189 13.7118 26.0651 13.7117 -25.5526 GPRESSAVG: 4887800 13.4815 -28.7733 28.1766 -22.4368 22.8951 14.767 25.0359 11.3538 -23.9346 TIMING: 4887800 CPU: 14152.2, 0.00288758/step Wall: 14152.2, 0.00288758/step, 0.0899963 hours remaining, 213.953125 MB of memory in use. ENERGY: 4887800 736.4597 2073.7082 1921.2247 106.3306 -206334.5709 17865.2273 0.0000 0.0000 34296.6459 -149334.9746 299.5211 -183631.6205 -149241.4463 298.9152 -48.5584 -17.3126 557512.3200 4.0948 4.1473 PRESSURE: 4888000 4.95257 -66.6173 2.33301 -66.6177 -86.1871 83.0101 2.33273 83.011 -242.677 GPRESSURE: 4888000 40.9479 -100.427 24.1415 -35.8135 -25.1829 149.151 53.3313 55.8523 -238.163 PRESSAVG: 4888000 24.9545 -30.8207 22.9468 -30.8207 -35.9667 -54.4242 22.9468 -54.4242 23.8962 GPRESSAVG: 4888000 26.435 -29.9689 23.8402 -30.1796 -35.3435 -56.0017 22.518 -52.2627 22.7899 TIMING: 4888000 CPU: 14152.8, 0.00292728/step Wall: 14152.8, 0.00292728/step, 0.0910708 hours remaining, 213.953125 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: 4888000 755.1030 2116.8850 1955.7039 101.7323 -206155.2334 17783.3639 0.0000 0.0000 34214.5660 -149227.8793 298.8043 -183442.4453 -149136.6795 299.4426 -107.9703 -74.1325 557867.0639 4.2946 4.6272 PRESSURE: 4888200 -64.0443 -9.02366 -230.64 -9.02368 36.6809 56.2992 -230.64 56.3006 38.363 GPRESSURE: 4888200 0.706469 18.9889 -269.502 -41.2966 66.2312 54.9641 -186.375 63.0924 54.1044 PRESSAVG: 4888200 15.5752 5.74902 20.5366 5.74906 39.1187 31.0858 20.5366 31.0858 -49.6287 GPRESSAVG: 4888200 15.1055 6.87648 18.3232 5.10997 39.8322 31.8801 21.0792 30.7857 -49.4358 TIMING: 4888200 CPU: 14153.4, 0.00291605/step Wall: 14153.4, 0.00291605/step, 0.0905596 hours remaining, 213.953125 MB of memory in use. ENERGY: 4888200 736.9422 2113.9055 1956.1338 114.7876 -206300.8700 17722.8700 0.0000 0.0000 34312.5394 -149343.6916 299.6599 -183656.2310 -149251.6309 298.9153 3.6665 40.3474 555334.0480 1.6884 1.8340 LDB: ============= START OF LOAD BALANCING ============== 14156.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14156.8 LDB: =============== DONE WITH MIGRATION ================ 14156.8 LDB: ============= START OF LOAD BALANCING ============== 14157.1 LDB: Largest compute 4773 load 0.027493 is 23.3% of average load 0.117986 LDB: Average compute 0.001734 is 1.5% of average load 0.117986 LDB: TIME 14157.1 LOAD: AVG 0.117986 MAX 0.17841 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.793 MB LDB: TIME 14157.1 LOAD: AVG 0.117986 MAX 0.17841 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.793 MB LDB: TIME 14157.1 LOAD: AVG 0.117986 MAX 0.17841 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14157.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14157.1 PRESSURE: 4888400 -31.7447 68.1371 -257.903 68.1359 249.708 31.4511 -257.902 31.4514 -67.2377 GPRESSURE: 4888400 -9.71462 68.928 -258.965 34.6458 280.985 95.1897 -204.519 15.9491 -34.2772 PRESSAVG: 4888400 9.19373 2.3469 -5.36585 2.3468 6.65404 -16.0041 -5.36586 -16.004 43.1484 GPRESSAVG: 4888400 8.19582 3.57652 -6.11317 1.36671 7.14667 -14.7955 -4.91357 -18.1951 43.0225 TIMING: 4888400 CPU: 14154, 0.00300652/step Wall: 14154, 0.00300652/step, 0.093202 hours remaining, 213.367188 MB of memory in use. ENERGY: 4888400 777.4054 2039.9903 1969.1902 114.9565 -206230.7887 17875.8954 0.0000 0.0000 34205.2139 -149248.1371 298.7226 -183453.3510 -149146.7409 299.3994 50.2420 78.9978 557460.5319 19.6654 19.4550 PRESSURE: 4888600 159.659 28.322 -189.789 28.3225 341.308 -90.157 -189.789 -90.1575 -56.373 GPRESSURE: 4888600 208.888 20.5279 -222.032 73.7894 353.083 -121.153 -186.803 -83.6455 -31.6181 PRESSAVG: 4888600 -5.09887 26.3891 7.5064 26.3891 -43.0283 -51.0739 7.50636 -51.0739 68.509 GPRESSAVG: 4888600 -6.04847 25.2336 8.68787 27.3052 -43.6139 -52.3533 7.61346 -50.2058 70.0273 TIMING: 4888600 CPU: 14154.6, 0.00292874/step Wall: 14154.6, 0.00292874/step, 0.0906283 hours remaining, 213.367188 MB of memory in use. ENERGY: 4888600 718.7273 2124.8516 1955.7945 123.6151 -206443.9111 17965.3971 0.0000 0.0000 34211.0123 -149344.5132 298.7733 -183555.5256 -149250.8448 299.0389 148.1981 176.7844 556687.7983 6.7939 6.7883 PRESSURE: 4888800 417.988 54.1684 -4.01457 54.1681 123.692 -138.453 -4.01524 -138.454 41.1228 GPRESSURE: 4888800 431.849 165.494 -4.08529 -17.5641 159.583 -168.778 -31.2902 -117.975 81.8776 PRESSAVG: 4888800 5.87234 -15.8466 -23.2625 -15.8466 16.203 -44.9593 -23.2625 -44.9594 20.276 GPRESSAVG: 4888800 7.21809 -16.9918 -23.1455 -15.5931 15.368 -45.8804 -23.6308 -43.9696 19.887 TIMING: 4888800 CPU: 14155.2, 0.00292986/step Wall: 14155.2, 0.00292986/step, 0.0905 hours remaining, 213.367188 MB of memory in use. ENERGY: 4888800 713.1020 2145.4960 1942.2404 119.6027 -206605.4690 18086.8217 0.0000 0.0000 34283.1610 -149315.0452 299.4034 -183598.2062 -149220.2455 299.5343 194.2673 224.4366 556900.9974 14.1171 14.1577 PRESSURE: 4889000 -0.407725 -58.7933 3.69637 -58.7964 140.443 78.5949 3.69553 78.5953 -11.034 GPRESSURE: 4889000 19.197 -29.5635 7.33759 -142.706 206.032 94.6951 0.878683 100.025 -5.45754 PRESSAVG: 4889000 -10.4264 -22.8864 -11.2535 -22.8864 -13.6559 -19.6776 -11.2536 -19.6775 35.4843 GPRESSAVG: 4889000 -10.4981 -22.0328 -8.44597 -23.623 -12.7008 -19.2719 -11.1726 -19.403 34.6863 TIMING: 4889000 CPU: 14155.7, 0.00291091/step Wall: 14155.7, 0.00291091/step, 0.0897531 hours remaining, 213.367188 MB of memory in use. ENERGY: 4889000 748.4418 2113.3769 1934.5925 97.5620 -206361.4898 17870.7262 0.0000 0.0000 34295.7936 -149300.9968 299.5137 -183596.7904 -149207.0219 299.6830 43.0006 73.2572 558613.3112 3.8007 3.8291 PRESSURE: 4889200 -59.1554 195.762 -50.0944 195.763 -158.497 -53.163 -50.0947 -53.1633 -273.158 GPRESSURE: 4889200 -59.9965 157.4 70.1707 211.724 -59.3392 -102.944 -97.0694 -63.809 -270.839 PRESSAVG: 4889200 -4.59507 13.8523 32.1803 13.8524 40.17 62.0199 32.1803 62.0198 -25.4552 GPRESSAVG: 4889200 -4.96993 13.3935 29.5751 13.6084 40.931 61.5722 30.6487 59.9312 -25.492 TIMING: 4889200 CPU: 14156.3, 0.00293911/step Wall: 14156.3, 0.00293911/step, 0.0904594 hours remaining, 213.367188 MB of memory in use. ENERGY: 4889200 718.2190 2152.4389 1973.1183 111.1649 -206099.9959 17561.5122 0.0000 0.0000 34237.9167 -149345.6259 299.0082 -183583.5426 -149244.9958 299.4695 -163.6034 -130.0582 558526.5459 3.3732 3.4897 PRESSURE: 4889400 -47.0046 -34.3976 -50.7592 -34.3974 -195.712 32.9317 -50.7591 32.9323 -244.931 GPRESSURE: 4889400 -11.0217 -42.2505 6.26924 39.4925 -186.159 146.025 -4.54895 11.1282 -193.688 PRESSAVG: 4889400 -11.4807 4.48586 -26.4054 4.48587 48.1455 -31.5543 -26.4055 -31.5542 -41.5971 GPRESSAVG: 4889400 -10.572 6.49266 -25.8159 3.13214 47.0078 -31.1106 -25.8498 -28.413 -40.9615 TIMING: 4889400 CPU: 14156.9, 0.00292184/step Wall: 14156.9, 0.00292184/step, 0.0897655 hours remaining, 213.367188 MB of memory in use. ENERGY: 4889400 751.4981 2094.9814 1948.6819 119.0960 -206224.0621 17572.2797 0.0000 0.0000 34329.7462 -149407.7789 299.8102 -183737.5251 -149313.2034 299.4951 -162.5493 -130.2896 557986.6273 -1.6441 -1.5086 PRESSURE: 4889600 -20.7217 73.8497 148.23 73.8493 80.2788 -31.7746 148.23 -31.7746 -104.743 GPRESSURE: 4889600 7.53802 63.5145 147.32 53.5642 107.493 -168.75 209.878 24.4807 -61.7758 PRESSAVG: 4889600 30.6343 -10.5066 30.2978 -10.5066 0.0626081 27.9679 30.2978 27.968 -1.09225 GPRESSAVG: 4889600 29.4548 -11.0273 31.6149 -8.14185 0.475108 27.4231 28.4098 26.5098 -0.399926 TIMING: 4889600 CPU: 14157.5, 0.00288954/step Wall: 14157.5, 0.00288954/step, 0.0886127 hours remaining, 213.367188 MB of memory in use. ENERGY: 4889600 804.7000 2086.6911 1954.8909 104.6161 -207188.0287 18146.3613 0.0000 0.0000 34510.9316 -149579.8377 301.3925 -184090.7693 -149478.4786 298.3957 -15.0618 17.7516 555282.6982 9.8682 9.8433 PRESSURE: 4889800 -157.153 25.1241 61.7852 25.1236 -300.36 -78.1392 61.7839 -78.1397 -42.1183 GPRESSURE: 4889800 -93.0055 17.8673 61.8995 89.106 -301.54 -17.7538 37.3803 -63.4961 -11.4523 PRESSAVG: 4889800 -52.4485 -0.94173 129.404 -0.941758 43.8031 -20.8452 129.404 -20.8451 21.0498 GPRESSAVG: 4889800 -52.9289 -0.159775 127.472 -1.22583 44.2016 -19.2621 131.857 -22.2323 20.9026 TIMING: 4889800 CPU: 14158.1, 0.00292712/step Wall: 14158.1, 0.00292712/step, 0.0896024 hours remaining, 213.367188 MB of memory in use. ENERGY: 4889800 786.1063 2093.3916 1945.4282 109.2391 -206497.0987 17931.4546 0.0000 0.0000 33980.9543 -149650.5246 296.7641 -183631.4789 -149552.1511 297.8862 -166.5438 -135.3325 558335.7109 4.1348 4.0584 PRESSURE: 4890000 -363.382 -205.836 26.6496 -205.836 -72.3296 76.6775 26.6504 76.6779 -79.4116 GPRESSURE: 4890000 -352.169 -214.211 33.9548 -196.998 -105.024 68.5516 14.675 65.616 36.6743 PRESSAVG: 4890000 -37.1053 -6.93211 28.1372 -6.93203 111.535 -5.71106 28.1373 -5.71117 -27.4541 GPRESSAVG: 4890000 -36.5741 -8.13592 28.8133 -5.91843 111.127 -6.80293 26.5907 -3.89431 -27.7503 TIMING: 4890000 CPU: 14158.7, 0.00292155/step Wall: 14158.7, 0.00292155/step, 0.0892695 hours remaining, 213.367188 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: 4890000 778.3209 2063.7209 1945.6482 122.5428 -206408.0537 17758.5873 0.0000 0.0000 34161.2800 -149577.9537 298.3390 -183739.2337 -149481.6343 297.9310 -171.7076 -140.1730 558286.6639 15.6586 15.6008 PRESSURE: 4890200 -60.5625 -131.591 126.491 -131.591 -303.767 -40.2345 126.491 -40.2348 -94.4439 GPRESSURE: 4890200 -77.5285 -91.2455 47.7747 -188.562 -215.957 -12.523 246.359 -108.739 -55.2312 PRESSAVG: 4890200 -11.9939 -22.9962 42.8878 -22.9962 19.3254 50.8551 42.8878 50.8551 -19.5342 GPRESSAVG: 4890200 -12.7838 -23.5957 44.3756 -24.1596 20.1066 48.3054 44.0538 49.5091 -19.3782 TIMING: 4890200 CPU: 14159.2, 0.00291923/step Wall: 14159.2, 0.00291923/step, 0.0890367 hours remaining, 213.367188 MB of memory in use. ENERGY: 4890200 720.9463 2083.6921 1955.3915 112.9536 -206496.5463 17741.4305 0.0000 0.0000 34236.6259 -149645.5064 298.9970 -183882.1323 -149549.9636 298.7015 -152.9244 -116.2389 557102.0490 -4.0676 -4.0184 PRESSURE: 4890400 -111.696 23.3018 -14.7434 23.3023 -180.007 88.4105 -14.7422 88.4085 -123.512 GPRESSURE: 4890400 -54.0182 38.9334 10.3209 62.0699 -152.471 9.34167 7.44646 103.314 -124.95 PRESSAVG: 4890400 -66.5217 -9.10164 12.5082 -9.1015 17.0314 30.8594 12.5082 30.8593 13.2637 GPRESSAVG: 4890400 -66.722 -8.24763 10.2987 -8.65818 16.4701 33.2617 12.8694 31.8153 14.1296 TIMING: 4890400 CPU: 14159.8, 0.00289936/step Wall: 14159.8, 0.00289936/step, 0.0882694 hours remaining, 213.367188 MB of memory in use. ENERGY: 4890400 739.2578 2085.0720 1971.7211 118.9864 -206463.2754 17625.3430 0.0000 0.0000 34284.4052 -149638.4900 299.4142 -183922.8951 -149541.4059 298.0961 -138.4050 -110.4800 557366.2232 -12.0755 -12.0408 PRESSURE: 4890600 -386.442 65.632 153.545 65.6315 -268.734 34.4919 153.545 34.4931 -39.8509 GPRESSURE: 4890600 -305.303 98.7235 138.374 93.655 -233.258 23.1738 105.615 11.6728 -44.5996 PRESSAVG: 4890600 -47.9314 36.2301 -27.9379 36.23 -29.8522 68.3645 -27.9379 68.3644 79.8354 GPRESSAVG: 4890600 -45.1542 35.2754 -28.0274 37.76 -31.4963 66.2156 -28.8578 67.515 78.5818 TIMING: 4890600 CPU: 14160.4, 0.00291118/step Wall: 14160.4, 0.00291118/step, 0.0884675 hours remaining, 213.367188 MB of memory in use. ENERGY: 4890600 725.9442 2012.9975 1968.0955 111.0449 -205842.7055 17290.3709 0.0000 0.0000 34000.4464 -149733.8061 296.9344 -183734.2525 -149635.3663 297.7925 -231.6754 -194.3870 557494.8609 0.6839 0.6438 PRESSURE: 4890800 -232.228 -34.5344 87.0245 -34.5355 29.1602 51.04 87.0233 51.0403 150.2 GPRESSURE: 4890800 -133.116 -99.4593 112.313 -71.6479 34.9604 -2.75114 157.023 79.9132 140.379 PRESSAVG: 4890800 -7.34932 -38.3094 64.9918 -38.3094 -10.6601 28.5206 64.9919 28.5207 37.2617 GPRESSAVG: 4890800 -7.4503 -37.0213 66.1871 -38.7314 -10.3464 32.0415 65.5201 27.2246 37.1201 TIMING: 4890800 CPU: 14161, 0.00292015/step Wall: 14161, 0.00292015/step, 0.0885779 hours remaining, 213.367188 MB of memory in use. ENERGY: 4890800 754.7040 2040.5764 1927.9973 92.4145 -206412.9373 17787.9673 0.0000 0.0000 34165.6963 -149643.5815 298.3775 -183809.2778 -149554.8427 297.6724 -17.6227 14.0746 557955.8828 6.4174 6.4411 PRESSURE: 4891000 -52.9203 14.2935 37.1992 14.2944 19.7732 35.4465 37.1985 35.446 -139.779 GPRESSURE: 4891000 -9.31127 11.5896 39.2494 52.5817 52.7606 33.0492 88.1823 10.6882 -120.726 PRESSAVG: 4891000 -96.6835 -18.15 -3.22522 -18.1499 25.7457 75.3684 -3.22528 75.3685 14.3838 GPRESSAVG: 4891000 -96.7108 -18.2295 -2.97638 -19.0759 26.4889 73.9011 -3.46438 76.668 13.7077 TIMING: 4891000 CPU: 14161.6, 0.002913/step Wall: 14161.6, 0.002913/step, 0.0881992 hours remaining, 213.367188 MB of memory in use. ENERGY: 4891000 723.1065 2047.9755 1950.7026 103.0987 -206230.2776 17762.8538 0.0000 0.0000 34029.6516 -149612.8889 297.1894 -183642.5405 -149528.7367 297.6091 -57.6419 -25.7587 558449.3993 -18.8513 -18.8381 PRESSURE: 4891200 -218.019 -58.0617 -49.2665 -58.0594 -269.092 -96.9536 -49.2661 -96.9532 219.389 GPRESSURE: 4891200 -181.773 -27.0712 24.1902 -82.8922 -251.843 -41.3877 -127.058 -171.299 276.822 PRESSAVG: 4891200 -41.9047 14.8355 16.85 14.8356 2.42279 30.569 16.8501 30.569 43.1828 GPRESSAVG: 4891200 -43.4295 15.7084 15.3751 15.4163 2.55195 29.7632 17.4827 32.2601 44.6453 TIMING: 4891200 CPU: 14162.2, 0.0029172/step Wall: 14162.2, 0.0029172/step, 0.0881643 hours remaining, 213.367188 MB of memory in use. ENERGY: 4891200 759.4868 2058.2052 1946.9835 117.8130 -206444.5152 17875.7429 0.0000 0.0000 34217.0681 -149469.2157 298.8262 -183686.2838 -149368.3555 298.9323 -89.2405 -52.2649 557360.1645 1.2336 1.2559 PRESSURE: 4891400 -149.157 -80.9621 57.8293 -80.9622 -70.7615 -41.8363 57.8294 -41.8372 204.334 GPRESSURE: 4891400 -139.913 32.4048 51.9198 -58.4654 -15.9687 -96.0683 -66.7066 -4.15033 243.255 PRESSAVG: 4891400 -53.3237 36.4899 53.1114 36.4898 8.54773 -7.38762 53.1114 -7.3877 45.6924 GPRESSAVG: 4891400 -51.7071 35.8937 54.4725 35.5502 7.57378 -5.41937 51.146 -8.85179 45.347 TIMING: 4891400 CPU: 14162.7, 0.0029026/step Wall: 14162.7, 0.0029026/step, 0.0875617 hours remaining, 213.367188 MB of memory in use. ENERGY: 4891400 729.8195 2132.0690 1954.4133 112.1080 -206540.3076 17982.0147 0.0000 0.0000 34173.7750 -149456.1081 298.4481 -183629.8831 -149358.1280 299.0439 -5.1949 29.1242 556889.0053 0.3055 0.4046 PRESSURE: 4891600 -13.2439 -97.8863 -80.8549 -97.8863 -8.39189 87.8566 -80.8552 87.8565 108.087 GPRESSURE: 4891600 68.1828 -101.608 -94.28 -92.3309 41.6238 188.938 -74.447 10.1042 67.4044 PRESSAVG: 4891600 4.50923 -5.68145 -3.77839 -5.6815 -31.0316 -10.4294 -3.77833 -10.4294 49.0538 GPRESSAVG: 4891600 3.18572 -4.99542 -3.40349 -4.60391 -30.6662 -10.8058 -2.45005 -9.55491 49.826 TIMING: 4891600 CPU: 14163.3, 0.00291679/step Wall: 14163.3, 0.00291679/step, 0.0878278 hours remaining, 213.367188 MB of memory in use. ENERGY: 4891600 781.6920 2041.5949 1940.6677 98.3492 -206243.6175 17847.4930 0.0000 0.0000 34144.3871 -149389.4336 298.1914 -183533.8208 -149289.0156 298.7528 28.8169 59.0703 556502.5367 7.5105 7.4485 PRESSURE: 4891800 -319.132 8.01854 58.203 8.01824 101.689 -46.1029 58.2038 -46.1031 52.9095 GPRESSURE: 4891800 -242.809 33.3732 56.759 23.7162 120.659 -42.8779 85.9614 -91.6043 54.4144 PRESSAVG: 4891800 -12.1411 34.9502 20.9537 34.9501 33.5999 31.8141 20.9538 31.8141 -28.1437 GPRESSAVG: 4891800 -10.1104 33.3946 21.3168 35.2384 33.8369 30.2727 21.1994 31.5629 -30.2609 TIMING: 4891800 CPU: 14163.9, 0.00288466/step Wall: 14163.9, 0.00288465/step, 0.0866999 hours remaining, 213.367188 MB of memory in use. ENERGY: 4891800 747.3313 2030.5694 1958.7996 118.8302 -206184.7382 17754.2314 0.0000 0.0000 34108.0974 -149466.8789 297.8745 -183574.9763 -149364.6540 298.0836 -54.8442 -22.5784 555989.0933 -2.2283 -2.1781 PRESSURE: 4892000 -110.796 52.9071 11.2297 52.906 -329.26 55.3051 11.229 55.3043 39.6695 GPRESSURE: 4892000 -62.2216 16.8884 -10.7708 75.3795 -328.826 11.7452 42.8253 159.189 88.3491 PRESSAVG: 4892000 -15.1126 24.1592 -27.546 24.1591 46.9547 56.5439 -27.5461 56.5441 -47.376 GPRESSAVG: 4892000 -14.975 25.954 -26.6628 22.9325 45.7897 57.4 -28.1661 57.8584 -46.5245 TIMING: 4892000 CPU: 14164.5, 0.00290982/step Wall: 14164.5, 0.00290982/step, 0.0872947 hours remaining, 213.367188 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: 4892000 742.5683 2103.4553 1977.6873 116.5613 -206233.1225 17599.6902 0.0000 0.0000 34292.4833 -149400.6766 299.4848 -183693.1599 -149302.8644 297.6894 -133.4620 -100.8995 556187.6925 -5.1780 -5.2366 PRESSURE: 4892200 169.349 -96.0634 -122.134 -96.0627 47.5978 44.5814 -122.134 44.5806 -373.994 GPRESSURE: 4892200 217.283 -115.258 -57.0295 -98.9075 113.684 109.336 -146.254 -33.6174 -374.094 PRESSAVG: 4892200 11.907 -4.44572 -64.986 -4.44574 -4.31278 -10.8027 -64.9861 -10.8028 -19.6849 GPRESSAVG: 4892200 10.9982 -6.24607 -65.5612 -3.47758 -2.4098 -10.4061 -65.5131 -13.4856 -20.4105 TIMING: 4892200 CPU: 14165.1, 0.00291202/step Wall: 14165.1, 0.00291202/step, 0.0871987 hours remaining, 213.367188 MB of memory in use. ENERGY: 4892200 775.7176 2046.0277 1960.7761 121.9487 -206225.4244 17727.4245 0.0000 0.0000 34327.6095 -149265.9202 299.7916 -183593.5298 -149175.1421 299.4267 -52.3492 -14.3755 556016.9472 -4.0302 -3.9407 LDB: ============= START OF LOAD BALANCING ============== 14168.5 LDB: ============== END OF LOAD BALANCING =============== 14168.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14168.5 LDB: ============= START OF LOAD BALANCING ============== 14168.7 LDB: Largest compute 4800 load 0.025613 is 21.7% of average load 0.118001 LDB: Average compute 0.001726 is 1.5% of average load 0.118001 LDB: TIME 14168.7 LOAD: AVG 0.118001 MAX 0.182955 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.023 MB LDB: TIME 14168.7 LOAD: AVG 0.118001 MAX 0.182955 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.223 MB LDB: TIME 14168.7 LOAD: AVG 0.118001 MAX 0.182955 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14168.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14168.8 PRESSURE: 4892400 135.418 34.0467 -199.245 34.047 204.865 -168.469 -199.244 -168.47 147.959 GPRESSURE: 4892400 148.272 -18.9425 -144.534 2.71981 182.511 -153.823 -301.484 -177.119 249.389 PRESSAVG: 4892400 34.2634 -3.17147 -18.9507 -3.17153 13.1398 36.4925 -18.9508 36.4923 -39.6097 GPRESSAVG: 4892400 34.2865 -2.96408 -19.9735 -4.2499 11.8917 36.361 -18.0182 37.7805 -38.2719 TIMING: 4892400 CPU: 14165.7, 0.00298618/step Wall: 14165.7, 0.00298618/step, 0.0892535 hours remaining, 211.511719 MB of memory in use. ENERGY: 4892400 675.6882 2081.7110 1949.3296 115.2619 -206224.4701 17913.4166 0.0000 0.0000 34035.8826 -149453.1802 297.2438 -183489.0628 -149361.6390 298.4936 162.7472 193.3907 555914.2459 2.5979 2.6354 PRESSURE: 4892600 28.0595 20.3026 -18.0827 20.3019 -356.351 108.348 -18.0835 108.348 56.1905 GPRESSURE: 4892600 28.2087 -44.9405 -54.0699 31.8394 -293.45 121.565 11.5014 180.276 73.8994 PRESSAVG: 4892600 -23.903 31.1115 -28.5903 31.1115 -17.9183 -27.3108 -28.5903 -27.3107 34.6683 GPRESSAVG: 4892600 -25.2222 32.2579 -28.3499 31.3801 -18.6175 -26.383 -27.6657 -26.1914 36.0979 TIMING: 4892600 CPU: 14166.2, 0.00291462/step Wall: 14166.2, 0.00291462/step, 0.086953 hours remaining, 211.714844 MB of memory in use. ENERGY: 4892600 772.8747 2096.4966 1968.0049 108.4629 -206171.2107 17705.6585 0.0000 0.0000 34223.2636 -149296.4495 298.8803 -183519.7131 -149202.9224 298.6284 -90.7003 -63.7806 556894.6602 -2.3843 -2.5806 PRESSURE: 4892800 -344.476 -125.763 -29.256 -125.763 -40.1782 -43.2862 -29.2566 -43.2863 262.889 GPRESSURE: 4892800 -316.409 -26.7642 -80.7452 -181.77 28.9868 0.0522198 35.8954 -72.4664 269.542 PRESSAVG: 4892800 2.52565 -30.5436 -17.8755 -30.5436 7.70257 -30.605 -17.8756 -30.605 23.8682 GPRESSAVG: 4892800 5.10466 -31.8742 -18.3402 -29.0007 7.94634 -32.2237 -18.0119 -28.7829 21.1207 TIMING: 4892800 CPU: 14166.8, 0.00290786/step Wall: 14166.8, 0.00290786/step, 0.0865896 hours remaining, 211.714844 MB of memory in use. ENERGY: 4892800 744.3582 2094.5556 1959.8236 117.4937 -206125.6083 17787.6887 0.0000 0.0000 33982.5800 -149439.1085 296.7783 -183421.6884 -149341.8315 298.2259 -40.5881 -5.9603 557517.4511 11.3655 11.3906 PRESSURE: 4893000 -30.7514 52.7399 67.6855 52.741 -49.7623 -79.4088 67.6855 -79.4082 241.034 GPRESSURE: 4893000 -4.05678 22.8855 73.3771 80.7111 -1.1036 -96.8945 18.3605 -146.226 286.077 PRESSAVG: 4893000 -14.621 -16.0217 9.50811 -16.0217 12.8582 6.24022 9.50815 6.24028 -35.4728 GPRESSAVG: 4893000 -16.7655 -15.3324 10.568 -15.0089 13.7473 6.14294 9.48797 4.10158 -34.2037 TIMING: 4893000 CPU: 14167.4, 0.00291406/step Wall: 14167.4, 0.00291406/step, 0.0866125 hours remaining, 211.714844 MB of memory in use. ENERGY: 4893000 741.7635 2034.7924 1941.2557 106.1406 -206694.0928 18036.6501 0.0000 0.0000 34164.3907 -149669.0998 298.3661 -183833.4905 -149573.2114 297.9197 53.5068 93.6389 556774.3661 -12.4119 -12.4073 PRESSURE: 4893200 133.509 58.5108 7.7056 58.5111 32.5963 -122.487 7.70646 -122.488 15.897 GPRESSURE: 4893200 136.192 52.2545 4.90606 79.4355 57.9036 -140.675 26.5813 -115.73 73.4424 PRESSAVG: 4893200 -23.8661 -55.2406 -37.5081 -55.2407 15.5903 -42.3832 -37.5081 -42.3832 8.21361 GPRESSAVG: 4893200 -23.8937 -56.4038 -36.767 -58.0117 14.8079 -43.0007 -38.1832 -41.9621 9.03359 TIMING: 4893200 CPU: 14168, 0.00291809/step Wall: 14168, 0.00291809/step, 0.0865699 hours remaining, 211.714844 MB of memory in use. ENERGY: 4893200 731.1116 2089.0200 1939.3940 106.6555 -206515.8897 17726.9424 0.0000 0.0000 34341.7089 -149581.0572 299.9147 -183922.7662 -149484.4465 298.2408 60.6674 89.1792 556048.6258 -0.0207 -0.0174 PRESSURE: 4893400 175.763 74.5285 -170.777 74.5284 -262.958 -45.4473 -170.777 -45.4479 20.1271 GPRESSURE: 4893400 193.693 59.3984 -57.2639 66.1831 -227.686 -100.001 -165.538 13.5219 64.3151 PRESSAVG: 4893400 -10.0242 -3.123 -45.7246 -3.1229 42.6291 -41.4341 -45.7245 -41.4342 -14.9006 GPRESSAVG: 4893400 -10.915 -4.12387 -45.4099 -1.27142 43.4497 -42.8643 -44.3218 -40.7877 -14.4907 TIMING: 4893400 CPU: 14168.6, 0.0028846/step Wall: 14168.6, 0.0028846/step, 0.0854161 hours remaining, 211.714844 MB of memory in use. ENERGY: 4893400 752.3674 2074.4982 1963.1025 108.5326 -206070.7700 17548.8841 0.0000 0.0000 34130.4193 -149492.9659 298.0694 -183623.3852 -149393.7154 298.9337 -22.3557 10.1071 556041.4362 5.9014 6.0147 PRESSURE: 4893600 299.075 20.5635 184.988 20.5624 43.4765 1.93126 184.989 1.93065 33.1462 GPRESSURE: 4893600 390.989 26.0801 189.053 23.4684 46.9857 -67.3069 213.432 20.7562 40.5524 PRESSAVG: 4893600 21.0024 35.9711 -7.13372 35.9712 -12.9242 -63.0026 -7.13363 -63.0027 2.37679 GPRESSAVG: 4893600 21.8519 38.3649 -8.42082 35.6923 -12.9602 -62.3705 -6.62913 -64.1696 1.75351 TIMING: 4893600 CPU: 14169.1, 0.00289735/step Wall: 14169.1, 0.00289735/step, 0.0856329 hours remaining, 211.714844 MB of memory in use. ENERGY: 4893600 739.3901 2029.9412 1959.0438 115.3336 -206368.5194 17852.6955 0.0000 0.0000 34178.1334 -149493.9816 298.4861 -183672.1151 -149401.8484 298.6980 125.2324 159.5089 554279.6381 3.4850 3.5484 PRESSURE: 4893800 -34.1852 -231.881 35.4616 -231.88 192.237 100.861 35.4604 100.861 -37.2225 GPRESSURE: 4893800 38.6184 -201.128 32.1313 -298.106 192.415 125.8 -54.9437 122.985 -13.2395 PRESSAVG: 4893800 9.83269 -6.9451 42.8759 -6.94508 5.01673 6.44836 42.8758 6.44843 -34.4791 GPRESSAVG: 4893800 10.2883 -8.41495 41.1671 -6.60359 5.01486 6.45832 40.7185 6.02447 -34.8911 TIMING: 4893800 CPU: 14169.7, 0.00290585/step Wall: 14169.7, 0.00290585/step, 0.0857227 hours remaining, 211.714844 MB of memory in use. ENERGY: 4893800 736.7826 2119.3732 1960.8234 108.4766 -206409.6904 17933.0291 0.0000 0.0000 33961.1594 -149590.0461 296.5913 -183551.2055 -149496.0758 298.4809 40.2764 72.5981 555518.1368 -6.5432 -6.5293 PRESSURE: 4894000 -22.6695 -123.311 -36.4571 -123.311 -15.5249 -49.5085 -36.4589 -49.5086 16.1398 GPRESSURE: 4894000 45.2848 -118.807 -76.303 -100.502 -20.4158 -78.7464 32.6468 -57.0642 50.6115 PRESSAVG: 4894000 20.4935 -23.1109 1.90058 -23.1108 31.8563 -3.19703 1.90055 -3.1971 -8.51488 GPRESSAVG: 4894000 20.1424 -23.0121 4.07417 -21.8313 32.7413 -3.56585 2.20627 -3.87959 -9.04977 TIMING: 4894000 CPU: 14170.3, 0.00292034/step Wall: 14170.3, 0.00292034/step, 0.0859877 hours remaining, 211.714844 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: 4894000 757.8966 2069.4782 1967.7159 108.2587 -206469.9286 17688.6545 0.0000 0.0000 34343.1063 -149534.8185 299.9269 -183877.9247 -149429.4107 298.5523 -7.3515 25.1602 555503.2531 14.6116 14.6113 PRESSURE: 4894200 229.931 -55.1876 72.2883 -55.1882 374.422 104.022 72.2889 104.021 20.7056 GPRESSURE: 4894200 255.529 -0.61767 11.4515 -75.7274 386.747 159.394 156.44 19.8671 73.7686 PRESSAVG: 4894200 -8.17807 -45.0955 74.501 -45.0955 9.66185 14.5409 74.501 14.5409 -22.1082 GPRESSAVG: 4894200 -8.42343 -41.7517 72.3547 -48.422 9.63754 16.2279 74.4117 15.4438 -21.6366 TIMING: 4894200 CPU: 14170.9, 0.00289992/step Wall: 14170.9, 0.00289992/step, 0.0852254 hours remaining, 211.714844 MB of memory in use. ENERGY: 4894200 765.6381 2075.1697 1947.7845 112.2746 -206740.3153 18137.2826 0.0000 0.0000 34262.6555 -149439.5104 299.2243 -183702.1659 -149342.2507 298.9331 208.3528 238.6814 555319.5597 -6.8748 -6.8075 PRESSURE: 4894400 71.917 -72.1769 104.137 -72.1782 -270.181 146.19 104.14 146.19 -124.806 GPRESSURE: 4894400 52.2982 -151.252 136.312 -79.9347 -172.75 105.761 108.296 211.462 -96.617 PRESSAVG: 4894400 52.5272 -54.9799 42.2541 -54.9799 -37.8378 -17.4029 42.2541 -17.4028 10.8449 GPRESSAVG: 4894400 52.352 -58.8685 44.873 -52.6952 -38.4685 -18.5851 41.6987 -17.246 11.2865 TIMING: 4894400 CPU: 14171.5, 0.00290223/step Wall: 14171.5, 0.00290223/step, 0.0851321 hours remaining, 211.714844 MB of memory in use. ENERGY: 4894400 770.2109 2060.1430 1926.3950 120.6621 -206253.2715 17702.5426 0.0000 0.0000 34312.2173 -149361.1006 299.6571 -183673.3180 -149268.6525 299.7495 -107.6898 -72.3562 556940.6180 8.5114 8.3900 PRESSURE: 4894600 82.6683 15.602 6.52199 15.6014 -102.089 -14.8237 6.52275 -14.8243 -22.2758 GPRESSURE: 4894600 73.1049 80.4708 35.5253 27.7055 -22.8674 -30.9842 -13.9413 -26.2292 -0.566525 PRESSAVG: 4894600 14.3272 -40.6532 -15.9122 -40.6533 21.6668 -44.4078 -15.9123 -44.408 -50.3408 GPRESSAVG: 4894600 14.6767 -38.3451 -17.7856 -39.694 22.1383 -42.5936 -15.0325 -46.9174 -50.915 TIMING: 4894600 CPU: 14172.1, 0.00291026/step Wall: 14172.1, 0.00291026/step, 0.085206 hours remaining, 211.714844 MB of memory in use. ENERGY: 4894600 751.3960 2044.0444 1938.4341 112.3921 -206341.4166 17741.8274 0.0000 0.0000 34434.0569 -149319.2657 300.7212 -183753.3226 -149218.6951 299.7333 -13.8988 16.5570 556901.1949 -4.7823 -4.7000 PRESSURE: 4894800 -49.0481 -34.5328 119.644 -34.5336 -29.9 -119.57 119.645 -119.571 34.5533 GPRESSURE: 4894800 -15.868 28.1846 113.498 -66.0495 17.8284 -112.452 188.623 -78.9903 57.3812 PRESSAVG: 4894800 -17.4439 -56.5903 -8.29584 -56.5904 4.95012 26.7948 -8.29576 26.7947 -6.39533 GPRESSAVG: 4894800 -18.0903 -57.7557 -8.78979 -56.1811 5.64128 24.5185 -7.88491 29.6305 -5.95424 TIMING: 4894800 CPU: 14172.6, 0.00290602/step Wall: 14172.6, 0.00290602/step, 0.0849202 hours remaining, 211.714844 MB of memory in use. ENERGY: 4894800 764.1111 2118.1213 1959.0278 104.9000 -206425.5649 18058.5959 0.0000 0.0000 34168.6316 -149252.1771 298.4032 -183420.8088 -149150.5313 299.1205 -14.7983 19.7805 557894.9789 -6.2964 -6.1344 PRESSURE: 4895000 -141.915 -65.3767 -118.717 -65.3767 174.832 28.8872 -118.717 28.8874 -168.836 GPRESSURE: 4895000 -58.2906 -93.1725 -137.057 69.3338 154.76 10.1064 -184.201 41.0489 -138.535 PRESSAVG: 4895000 -45.2279 -38.3009 -3.52325 -38.3009 37.2513 10.5514 -3.52326 10.5515 15.8576 GPRESSAVG: 4895000 -44.9439 -36.3299 -3.16806 -42.014 37.1113 10.58 -7.12965 11.2757 15.7325 TIMING: 4895000 CPU: 14173.2, 0.00291924/step Wall: 14173.2, 0.00291924/step, 0.0851445 hours remaining, 211.714844 MB of memory in use. ENERGY: 4895000 741.2001 2155.7301 1926.3147 110.5043 -205945.5775 17757.0104 0.0000 0.0000 34014.4495 -149240.3684 297.0566 -183254.8178 -149146.6177 299.3801 -45.3063 -14.0221 557412.4784 2.6270 2.6333 PRESSURE: 4895200 74.5634 192.08 28.7222 192.08 -216.694 -76.9425 28.7233 -76.9429 -329.045 GPRESSURE: 4895200 51.6913 161.214 82.1118 196.783 -154.139 -103.686 -19.9477 -38.0434 -271.653 PRESSAVG: 4895200 -24.7659 -25.7955 -32.8478 -25.7954 30.9062 27.6787 -32.8478 27.6788 4.34404 GPRESSAVG: 4895200 -24.2081 -26.1939 -31.1224 -24.3743 29.417 27.4257 -29.862 26.2664 5.25969 TIMING: 4895200 CPU: 14173.8, 0.00290486/step Wall: 14173.8, 0.00290486/step, 0.0845638 hours remaining, 211.714844 MB of memory in use. ENERGY: 4895200 706.9501 2061.7015 1943.9855 118.5006 -205941.1422 17558.1224 0.0000 0.0000 34298.3547 -149253.5273 299.5361 -183551.8820 -149156.5856 299.2909 -157.0586 -124.7001 558214.1091 3.4948 3.4895 PRESSURE: 4895400 80.8338 83.213 -9.13245 83.2127 -147.566 102.577 -9.13321 102.576 102.282 GPRESSURE: 4895400 62.5333 62.4417 22.5602 52.7251 -40.0364 73.8417 -26.909 61.67 110.396 PRESSAVG: 4895400 -23.8868 22.3594 -88.9621 22.3593 7.03386 17.5386 -88.9621 17.5386 58.4925 GPRESSAVG: 4895400 -24.4114 23.7906 -89.0757 21.9788 8.64107 17.5571 -91.49 16.1703 57.4797 TIMING: 4895400 CPU: 14174.4, 0.00290244/step Wall: 14174.4, 0.00290244/step, 0.084332 hours remaining, 211.714844 MB of memory in use. ENERGY: 4895400 747.7610 2085.4188 1950.7377 106.1498 -206701.3349 18006.1541 0.0000 0.0000 34317.4604 -149487.6532 299.7029 -183805.1136 -149391.1404 299.2225 11.8499 44.2976 557761.7866 13.8799 13.9031 PRESSURE: 4895600 115.881 -63.5664 193.693 -63.5668 -194.601 133.787 193.693 133.786 83.505 GPRESSURE: 4895600 45.1634 -25.7458 120.851 -89.9993 -93.6375 127.481 213.739 133.239 140.711 PRESSAVG: 4895600 8.26004 38.1453 -10.1747 38.1453 -20.2539 22.1318 -10.1747 22.1318 38.4026 GPRESSAVG: 4895600 8.76061 35.4582 -10.2965 39.4646 -21.4851 23.01 -10.9415 23.9337 39.0549 TIMING: 4895600 CPU: 14175, 0.00291514/step Wall: 14175, 0.00291514/step, 0.0845391 hours remaining, 211.714844 MB of memory in use. ENERGY: 4895600 722.4282 2103.1951 1952.5459 133.9759 -206320.2509 17893.0976 0.0000 0.0000 34092.9125 -149422.0957 297.7419 -183515.0082 -149331.5550 298.9364 1.5950 30.7456 559066.7126 8.8029 8.7768 PRESSURE: 4895800 292.773 -40.4451 119.233 -40.4447 -100.249 110.977 119.234 110.979 116.536 GPRESSURE: 4895800 271.63 -129.994 85.5523 -36.954 -2.79005 100.832 66.5529 87.4312 128.589 PRESSAVG: 4895800 -30.7477 23.5546 49.9974 23.5546 -3.1094 29.3495 49.9974 29.3495 -1.47894 GPRESSAVG: 4895800 -31.5254 25.8268 48.5741 21.9498 -1.60808 29.1323 50.7888 27.6514 -2.19236 TIMING: 4895800 CPU: 14175.5, 0.00289324/step Wall: 14175.5, 0.00289324/step, 0.0837433 hours remaining, 211.714844 MB of memory in use. ENERGY: 4895800 762.7810 2067.1814 1979.9876 99.3646 -206792.1547 18115.3784 0.0000 0.0000 34313.2246 -149454.2372 299.6659 -183767.4617 -149361.5910 298.2031 103.0199 132.4765 557256.2147 -11.7787 -11.7753 PRESSURE: 4896000 -50.274 89.9519 -74.8534 89.9518 89.9263 -147.548 -74.8537 -147.548 -144.399 GPRESSURE: 4896000 -36.0487 136.12 -59.9956 31.6722 151.469 -151.618 -122.873 -163.31 -114.598 PRESSAVG: 4896000 -23.1569 25.7044 -5.37834 25.7043 1.49012 -47.4781 -5.37845 -47.4781 31.1689 GPRESSAVG: 4896000 -22.8859 25.1796 -4.7856 24.5382 1.29511 -46.6249 -3.48659 -47.9424 31.1741 TIMING: 4896000 CPU: 14176.1, 0.00290988/step Wall: 14176.1, 0.00290988/step, 0.0840632 hours remaining, 211.714844 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: 4896000 713.3360 2039.6293 1970.9924 107.4017 -206316.5262 17825.0213 0.0000 0.0000 34155.7925 -149504.3530 298.2910 -183660.1455 -149408.6556 298.8331 -34.9157 0.2740 557885.1065 3.1674 3.1944 PRESSURE: 4896200 -240.802 81.8422 -211.945 81.8421 -93.3024 90.1934 -211.944 90.1959 108.622 GPRESSURE: 4896200 -183.057 102.274 -157.582 109.924 -85.555 71.4754 -313.67 59.9492 141.995 PRESSAVG: 4896200 -46.5735 14.3747 -16.5677 14.3746 -12.4996 21.8045 -16.5677 21.8045 51.7176 GPRESSAVG: 4896200 -46.7366 13.7303 -15.0498 15.5719 -12.3523 19.7877 -18.6004 24.104 52.4541 TIMING: 4896200 CPU: 14176.7, 0.0029038/step Wall: 14176.7, 0.0029038/step, 0.0837263 hours remaining, 211.714844 MB of memory in use. ENERGY: 4896200 780.5753 2076.8601 1953.6799 106.0158 -206473.5739 17993.6047 0.0000 0.0000 34090.3450 -149472.4931 297.7195 -183562.8381 -149376.0857 298.4151 -75.1606 -42.2055 558899.2395 -2.4519 -2.2116 LDB: ============= START OF LOAD BALANCING ============== 14180.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14180.1 LDB: =============== DONE WITH MIGRATION ================ 14180.1 LDB: ============= START OF LOAD BALANCING ============== 14180.4 LDB: Largest compute 4799 load 0.027154 is 23.0% of average load 0.117995 LDB: Average compute 0.001731 is 1.5% of average load 0.117995 LDB: TIME 14180.4 LOAD: AVG 0.117995 MAX 0.180437 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.281 MB LDB: TIME 14180.4 LOAD: AVG 0.117995 MAX 0.180437 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.281 MB LDB: TIME 14180.4 LOAD: AVG 0.117995 MAX 0.180437 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14180.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14180.4 PRESSURE: 4896400 -96.5934 -222.213 -60.0663 -222.213 -104.128 -33.7904 -60.0662 -33.7901 -137.627 GPRESSURE: 4896400 -67.9099 -212.208 -135.11 -128.248 -76.1992 16.6716 84.3493 -19.9025 -104.853 PRESSAVG: 4896400 -66.4293 16.988 -25.9072 16.988 13.8511 37.2085 -25.9072 37.2085 12.6905 GPRESSAVG: 4896400 -65.3093 16.5008 -27.3777 19.3847 12.751 37.0066 -24.1276 36.4364 12.3064 TIMING: 4896400 CPU: 14177.3, 0.0029408/step Wall: 14177.3, 0.0029408/step, 0.0846297 hours remaining, 211.828125 MB of memory in use. ENERGY: 4896400 749.9582 2120.6957 1947.2044 115.7258 -206069.9000 17631.8811 0.0000 0.0000 33918.3453 -149586.0894 296.2173 -183504.4348 -149496.7466 297.7731 -112.7827 -82.9873 558363.3101 -13.2959 -13.4173 PRESSURE: 4896600 119.643 -63.9786 12.8475 -63.9778 236.871 14.7121 12.8474 14.7129 -122.5 GPRESSURE: 4896600 179.46 -98.0253 14.8601 -156.199 242.799 -15.5243 -46.2832 -24.9265 -85.4367 PRESSAVG: 4896600 -30.9712 -28.154 7.12571 -28.154 22.485 6.29118 7.12561 6.29132 -36.5376 GPRESSAVG: 4896600 -32.1916 -27.8857 5.9684 -28.6212 22.5023 7.95239 5.56124 2.99691 -36.0663 TIMING: 4896600 CPU: 14177.9, 0.00288105/step Wall: 14177.9, 0.00288105/step, 0.0827501 hours remaining, 211.828125 MB of memory in use. ENERGY: 4896600 717.5573 2135.9511 1940.6357 115.1914 -206581.2466 18068.1369 0.0000 0.0000 34049.5939 -149554.1804 297.3636 -183603.7743 -149458.2559 297.7608 78.0051 112.2740 557971.9832 -15.0080 -15.2519 PRESSURE: 4896800 -202.395 -43.0922 62.1861 -43.0912 -5.08538 -109.924 62.1854 -109.922 -116.413 GPRESSURE: 4896800 -198.391 54.2819 86.2026 -88.363 -11.4631 -164.89 -12.5285 -75.0169 -14.9877 PRESSAVG: 4896800 -24.5579 -47.3797 28.0122 -47.3798 43.118 20.0704 28.0122 20.0703 3.87909 GPRESSAVG: 4896800 -23.1741 -47.3715 29.6282 -48.4464 42.6228 18.5306 27.1707 22.5824 3.59723 TIMING: 4896800 CPU: 14178.4, 0.00289497/step Wall: 14178.4, 0.00289497/step, 0.0829893 hours remaining, 211.828125 MB of memory in use. ENERGY: 4896800 756.4979 2062.7791 1954.3361 92.6615 -206188.7845 17652.1201 0.0000 0.0000 34195.0856 -149475.3042 298.6342 -183670.3898 -149379.7846 297.9387 -107.9645 -74.9472 556666.0120 7.4797 7.6819 PRESSURE: 4897000 -14.12 -21.6975 29.015 -21.6976 344.362 26.0474 29.0155 26.0484 173.657 GPRESSURE: 4897000 0.76787 -103.952 7.87874 -24.3642 419.968 -12.284 74.2621 -52.5978 174.361 PRESSAVG: 4897000 -62.0875 -31.0374 -8.72836 -31.0375 43.0656 -11.0803 -8.72839 -11.0803 -10.1751 GPRESSAVG: 4897000 -63.0985 -31.5332 -9.89956 -30.0858 44.7183 -12.3533 -6.68986 -11.7402 -10.7951 TIMING: 4897000 CPU: 14179, 0.00289064/step Wall: 14179, 0.00289064/step, 0.0827045 hours remaining, 211.828125 MB of memory in use. ENERGY: 4897000 721.3816 2035.4338 1946.0346 116.6685 -206661.8395 18237.8109 0.0000 0.0000 34263.6649 -149340.8452 299.2331 -183604.5100 -149240.2761 299.1277 167.9665 198.3657 557012.0068 -9.7323 -9.7251 PRESSURE: 4897200 36.7404 -2.00636 66.0682 -2.00602 -221.658 120.23 66.0689 120.23 -120.385 GPRESSURE: 4897200 66.6236 -23.9766 49.0535 57.9347 -173.164 104.168 20.6332 160.064 -98.9838 PRESSAVG: 4897200 17.495 -5.38842 -41.2347 -5.38847 23.5767 -65.8431 -41.2347 -65.843 5.58344 GPRESSAVG: 4897200 17.7198 -5.51866 -39.2844 -5.57306 22.7473 -63.7575 -41.4637 -66.3333 6.65133 TIMING: 4897200 CPU: 14179.6, 0.0029004/step Wall: 14179.6, 0.0029004/step, 0.0828226 hours remaining, 211.828125 MB of memory in use. ENERGY: 4897200 757.9406 2077.2336 1957.6427 118.2147 -206403.6381 17841.6332 0.0000 0.0000 34168.3897 -149482.5835 298.4010 -183650.9732 -149388.7530 298.3884 -101.7675 -68.5081 557114.7185 15.5517 15.7061 PRESSURE: 4897400 -151.935 47.9298 40.3492 47.9293 -185.369 -84.3172 40.3491 -84.3179 -279.456 GPRESSURE: 4897400 -111.665 63.4561 59.7124 37.7626 -170.676 -67.1835 16.2036 -108.469 -239.353 PRESSAVG: 4897400 9.6283 8.24741 -53.4584 8.24742 42.3844 -12.4106 -53.4584 -12.4105 -67.5925 GPRESSAVG: 4897400 9.97601 8.76054 -54.2648 8.45858 41.7835 -14.2863 -53.7003 -10.9131 -66.8252 TIMING: 4897400 CPU: 14180.2, 0.00291612/step Wall: 14180.2, 0.00291612/step, 0.0831094 hours remaining, 211.828125 MB of memory in use. ENERGY: 4897400 726.3795 2134.1965 1953.6111 120.2447 -205926.6381 17553.7433 0.0000 0.0000 34098.5093 -149339.9538 297.7908 -183438.4631 -149244.5486 299.0153 -205.5869 -173.8981 558794.3259 -5.1933 -5.0219 PRESSURE: 4897600 30.3051 25.691 -135.164 25.6908 -236.95 -114.169 -135.163 -114.167 -124.862 GPRESSURE: 4897600 57.7987 89.7419 -146.487 -2.40512 -177.975 -135.935 -133.858 -156.469 -119.948 PRESSAVG: 4897600 26.826 34.0073 -2.891 34.0074 -53.0436 -16.4696 -2.89113 -16.4697 31.6792 GPRESSAVG: 4897600 26.0935 33.6951 -4.08389 32.6998 -51.8859 -16.0534 -4.18604 -15.8947 30.6339 TIMING: 4897600 CPU: 14180.8, 0.00288937/step Wall: 14180.8, 0.00288937/step, 0.0821864 hours remaining, 211.828125 MB of memory in use. ENERGY: 4897600 762.7274 2123.3033 1957.5291 113.9067 -205943.8959 17605.3642 0.0000 0.0000 34075.6135 -149305.4516 297.5908 -183381.0651 -149209.1150 298.4786 -110.5022 -80.0413 556828.9960 1.8205 1.6138 PRESSURE: 4897800 -61.5378 160.758 -36.2852 160.756 -62.0763 174.841 -36.2849 174.841 -74.8743 GPRESSURE: 4897800 -19.5285 38.4544 3.85985 126.273 -43.3211 102.429 -108.595 228.197 -21.0744 PRESSAVG: 4897800 48.314 48.4472 -22.0434 48.4472 -36.255 -38.1247 -22.0436 -38.1246 -7.26564 GPRESSAVG: 4897800 48.6512 49.7665 -23.5088 49.3122 -36.9466 -38.5858 -19.5959 -40.5022 -6.13032 TIMING: 4897800 CPU: 14181.3, 0.00288401/step Wall: 14181.3, 0.00288401/step, 0.0818737 hours remaining, 211.828125 MB of memory in use. ENERGY: 4897800 774.6529 2076.2222 1927.0236 116.0714 -206171.5982 17876.0790 0.0000 0.0000 34175.6062 -149225.9428 298.4641 -183401.5489 -149126.9480 298.9641 -66.1628 -27.9746 558443.8809 1.5978 1.8581 PRESSURE: 4898000 -72.2263 73.8389 75.5598 73.8394 -55.5409 99.3297 75.5592 99.3281 -133.22 GPRESSURE: 4898000 -89.4727 120.868 62.2735 60.9024 1.75891 96.2297 130.74 69.0424 -74.0962 PRESSAVG: 4898000 23.6218 -10.6941 0.155909 -10.6941 -75.3766 -13.3355 0.155961 -13.3355 15.8516 GPRESSAVG: 4898000 23.6327 -10.9268 2.7779 -12.0748 -75.3675 -13.5094 -0.244871 -12.5917 16.0447 TIMING: 4898000 CPU: 14181.9, 0.00293753/step Wall: 14181.9, 0.00293753/step, 0.0832299 hours remaining, 211.828125 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: 4898000 744.5441 2050.3604 1903.8231 105.4954 -205812.8078 17668.6304 0.0000 0.0000 34156.8929 -149183.0615 298.3006 -183339.9544 -149090.9590 298.8218 -86.9957 -53.9367 558512.4835 -11.9677 -11.8967 PRESSURE: 4898200 -120.014 132.385 -17.7191 132.385 28.9324 29.0253 -17.7185 29.0248 153.304 GPRESSURE: 4898200 -41.0131 139.258 -71.9241 145.562 58.8825 87.2031 49.9901 50.5117 148.22 PRESSAVG: 4898200 19.8374 -10.091 28.6082 -10.0911 -37.9365 20.7888 28.6082 20.7888 17.4911 GPRESSAVG: 4898200 20.2391 -10.2502 27.9928 -11.0776 -38.8978 22.665 27.3316 21.3254 17.9916 TIMING: 4898200 CPU: 14182.5, 0.00291135/step Wall: 14182.5, 0.00291135/step, 0.0823265 hours remaining, 211.828125 MB of memory in use. ENERGY: 4898200 762.3856 2040.3057 1934.8416 115.3663 -205832.1895 17763.5855 0.0000 0.0000 34239.6935 -148976.0114 299.0238 -183215.7049 -148878.6342 299.5353 20.7407 55.3631 557584.9346 -0.2027 -0.2223 PRESSURE: 4898400 -142.945 112.067 85.7887 112.067 219.549 -66.434 85.7897 -66.4345 -159.512 GPRESSURE: 4898400 -114.546 63.2556 183.539 53.2898 290.428 -46.9068 19.3224 -107.064 -155.842 PRESSAVG: 4898400 -98.5436 14.9141 0.747332 14.9141 -10.0418 53.5975 0.747358 53.5974 82.6512 GPRESSAVG: 4898400 -98.986 13.7654 1.51378 17.3281 -8.47203 52.2935 0.775904 54.1556 81.5603 TIMING: 4898400 CPU: 14183.1, 0.00290155/step Wall: 14183.1, 0.00290155/step, 0.0818882 hours remaining, 211.828125 MB of memory in use. ENERGY: 4898400 775.5527 2071.9174 1936.1066 109.4564 -205853.3259 17955.5179 0.0000 0.0000 34254.2526 -148750.5224 299.1509 -183004.7750 -148660.6710 299.1327 -27.6359 6.6799 559026.0175 -8.6448 -8.6326 PRESSURE: 4898600 -33.9073 112.872 39.4516 112.872 141.42 -49.2413 39.4527 -49.2417 298.32 GPRESSURE: 4898600 65.3454 78.2142 123.719 157.926 148.103 -84.2795 -34.8212 -45.6301 292.256 PRESSAVG: 4898600 -29.8094 43.3069 22.2828 43.3069 14.1707 -12.4495 22.2828 -12.4496 -24.5524 GPRESSAVG: 4898600 -29.8671 43.5271 21.7709 43.0591 12.0452 -13.6679 23.2244 -11.7644 -23.0532 TIMING: 4898600 CPU: 14183.7, 0.00289318/step Wall: 14183.7, 0.00289318/step, 0.0814912 hours remaining, 211.828125 MB of memory in use. ENERGY: 4898600 716.9162 2065.9667 1946.1096 114.0562 -205857.2288 17949.6166 0.0000 0.0000 34225.7625 -148838.8010 298.9021 -183064.5635 -148747.0780 299.8091 135.2777 168.5679 559385.4115 -13.3970 -13.6250 PRESSURE: 4898800 313.459 -128.469 176.259 -128.47 345.828 -72.5447 176.26 -72.5472 123.757 GPRESSURE: 4898800 389.901 -211.932 155.892 -42.8806 449.594 47.5153 150.404 -46.8573 41.3672 PRESSAVG: 4898800 -14.5685 15.5557 40.6455 15.5558 -10.3261 11.1872 40.6456 11.1872 21.7482 GPRESSAVG: 4898800 -14.9809 15.0774 38.7534 15.959 -8.01693 14.5783 41.7594 10.8269 20.0003 TIMING: 4898800 CPU: 14184.3, 0.00292706/step Wall: 14184.3, 0.00292706/step, 0.0822829 hours remaining, 211.828125 MB of memory in use. ENERGY: 4898800 739.8832 2072.1105 1949.5367 127.0094 -206510.5532 18295.7402 0.0000 0.0000 34406.4162 -148919.8570 300.4798 -183326.2732 -148833.5923 300.4602 261.0147 293.6208 558002.6785 -1.0488 -0.9992 PRESSURE: 4899000 87.6844 -76.7531 -30.3371 -76.7522 -0.510097 -65.0739 -30.337 -65.0771 268.168 GPRESSURE: 4899000 138.93 -132.294 -14.7016 -87.6235 59.0303 -160.555 -7.43809 -24.4873 258.973 PRESSAVG: 4899000 4.20276 3.02164 -18.345 3.02156 6.27965 -3.51874 -18.345 -3.51869 37.2778 GPRESSAVG: 4899000 4.10507 3.74444 -16.7387 2.98554 4.67124 -4.4844 -20.3925 -3.51612 38.5975 TIMING: 4899000 CPU: 14184.8, 0.00293827/step Wall: 14184.8, 0.00293827/step, 0.0824349 hours remaining, 211.828125 MB of memory in use. ENERGY: 4899000 713.7564 2096.6529 1933.2933 104.7059 -205951.4412 17796.7868 0.0000 0.0000 34300.8202 -149005.4256 299.5576 -183306.2458 -148912.8823 299.6794 118.4474 152.3109 558367.9459 15.9201 15.7913 PRESSURE: 4899200 45.2438 -98.0096 -5.08468 -98.0089 -220.712 22.6989 -5.08495 22.7005 -149.122 GPRESSURE: 4899200 80.7702 -184.755 41.6315 -55.6533 -153.506 39.4758 -103.181 52.8407 -166.996 PRESSAVG: 4899200 36.3311 -73.0955 18.9788 -73.0955 -3.70601 26.1755 18.9787 26.1755 31.1371 GPRESSAVG: 4899200 36.3645 -73.7904 18.7719 -73.8369 -3.48291 25.5131 19.2056 24.0286 30.9443 TIMING: 4899200 CPU: 14185.4, 0.00293508/step Wall: 14185.4, 0.00293508/step, 0.0821823 hours remaining, 211.828125 MB of memory in use. ENERGY: 4899200 741.0272 2091.4784 1920.9358 109.5437 -205872.4912 17567.2915 0.0000 0.0000 34322.8950 -149119.3195 299.7504 -183442.2145 -149021.6116 299.2291 -108.1968 -79.9105 558677.5466 21.2541 21.2753 PRESSURE: 4899400 47.2807 25.4591 -58.5439 25.4595 26.0396 -26.6186 -58.5444 -26.6193 374.044 GPRESSURE: 4899400 86.037 68.4078 -46.9817 -51.3647 55.4093 0.898105 -19.4663 -48.4197 412.993 PRESSAVG: 4899400 -9.04005 3.0019 -2.03543 3.00184 -17.0848 -19.6689 -2.03545 -19.669 -20.9562 GPRESSAVG: 4899400 -9.83572 2.79862 -2.95704 3.13502 -16.4903 -18.7437 -2.13961 -18.7933 -20.8717 TIMING: 4899400 CPU: 14186, 0.00294345/step Wall: 14186, 0.00294345/step, 0.0822531 hours remaining, 211.828125 MB of memory in use. ENERGY: 4899400 698.5693 2132.6885 1934.8875 113.2048 -206172.5693 17847.5516 0.0000 0.0000 34414.2309 -149031.4367 300.5480 -183445.6676 -148935.1050 299.3595 149.1214 184.8132 556924.1329 -15.6937 -15.7326 PRESSURE: 4899600 -75.8363 -219.788 35.1941 -219.788 -92.4972 51.5659 35.1942 51.5662 -28.1644 GPRESSURE: 4899600 -27.9045 -209.757 57.118 -205.109 -87.8251 10.1864 -9.98846 173.519 21.3222 PRESSAVG: 4899600 4.18456 -29.8804 45.6725 -29.8803 19.9577 8.3433 45.6724 8.3434 14.9926 GPRESSAVG: 4899600 3.94504 -27.7901 46.7761 -31.4485 19.1421 6.66573 44.2696 8.33131 15.6112 TIMING: 4899600 CPU: 14186.6, 0.00295023/step Wall: 14186.6, 0.00295023/step, 0.0822788 hours remaining, 211.828125 MB of memory in use. ENERGY: 4899600 736.5496 2072.6630 1972.5615 116.7559 -205788.4822 17828.2389 0.0000 0.0000 34136.7039 -148925.0093 298.1243 -183061.7132 -148826.6288 299.2471 -65.4993 -31.4691 559233.6920 13.0449 12.8994 PRESSURE: 4899800 -165.421 -109.943 -97.6833 -109.942 -14.7003 63.3498 -97.6855 63.3491 -181.453 GPRESSURE: 4899800 -159.578 -173.288 -132.577 -73.6783 98.7988 124.156 -90.1342 170.082 -189.205 PRESSAVG: 4899800 -59.1883 30.0752 33.0227 30.0752 30.4561 -2.00868 33.0226 -2.00874 29.1866 GPRESSAVG: 4899800 -59.6284 28.1363 31.8781 30.9152 31.1488 -4.1682 34.9732 0.294811 28.5879 TIMING: 4899800 CPU: 14187.2, 0.00293595/step Wall: 14187.2, 0.00293595/step, 0.0817174 hours remaining, 211.828125 MB of memory in use. ENERGY: 4899800 732.8313 2039.6685 1930.4648 106.1482 -205824.0135 17645.0265 0.0000 0.0000 34371.8381 -148998.0361 300.1778 -183369.8742 -148907.8180 300.1913 -120.5248 -83.3280 558241.5367 0.1515 0.0361 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4900000 WRITING COORDINATES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4900000 210.156 120.14 5.62991 120.14 -106.569 26.1919 5.6293 26.1938 -46.9164 GPRESSURE: 4900000 190.126 20.5729 -46.8506 50.0448 -39.8183 80.9729 -13.3269 -23.6972 -12.9541 PRESSAVG: 4900000 8.40417 36.3089 51.488 36.3089 8.89626 8.11885 51.488 8.11877 -69.9921 GPRESSAVG: 4900000 7.87819 38.8111 51.6691 35.9915 8.98442 9.58242 50.8912 6.13595 -69.7228 TIMING: 4900000 CPU: 14187.8, 0.00302093/step Wall: 14187.8, 0.00302093/step, 0.0839148 hours remaining, 211.828125 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: 4900000 737.9265 2114.4648 1938.0290 123.2314 -206032.4261 17713.4160 0.0000 0.0000 34247.3005 -149158.0579 299.0902 -183405.3584 -149068.4922 300.0030 18.8900 45.7845 557021.3260 -17.5639 -17.6201 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 PRESSURE: 4900200 -81.5473 -11.2949 -96.3946 -11.2968 -104.774 82.5244 -96.3956 82.5247 -311.299 GPRESSURE: 4900200 -43.6216 -1.74863 -69.9659 1.648 -75.4338 19.9715 -167.05 119.02 -282.785 PRESSAVG: 4900200 -2.88042 -0.118507 15.0931 -0.118488 44.5095 48.0698 15.0931 48.0699 1.29219 GPRESSAVG: 4900200 -1.34794 -0.48902 15.4294 0.0386118 43.8007 47.0153 13.8859 47.8074 0.942466 TIMING: 4900200 CPU: 14188.4, 0.0029388/step Wall: 14188.4, 0.0029388/step, 0.0814701 hours remaining, 211.828125 MB of memory in use. ENERGY: 4900200 748.5544 2019.4594 1965.1531 101.2572 -205994.7189 17595.2081 0.0000 0.0000 34521.1848 -149043.9019 301.4821 -183565.0867 -148946.8921 300.2645 -165.8734 -133.9470 557183.5785 14.3071 14.4651 LDB: ============= START OF LOAD BALANCING ============== 14191.8 LDB: ============== END OF LOAD BALANCING =============== 14191.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14191.8 LDB: ============= START OF LOAD BALANCING ============== 14192.1 LDB: Largest compute 4772 load 0.026157 is 22.2% of average load 0.118012 LDB: Average compute 0.001727 is 1.5% of average load 0.118012 LDB: TIME 14192.1 LOAD: AVG 0.118012 MAX 0.180789 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211 MB LDB: TIME 14192.1 LOAD: AVG 0.118012 MAX 0.180789 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211 MB LDB: TIME 14192.1 LOAD: AVG 0.118012 MAX 0.180789 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211 MB LDB: ============== END OF LOAD BALANCING =============== 14192.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14192.1 PRESSURE: 4900400 52.2654 -47.9119 -12.2841 -47.9124 -81.2041 9.6724 -12.2836 9.67193 27.9731 GPRESSURE: 4900400 71.3102 -17.3525 -5.19421 -73.4662 -39.2144 -7.33519 17.4436 -73.9587 54.8534 PRESSAVG: 4900400 -72.3092 -53.9126 -44.3902 -53.9125 5.33603 -30.3838 -44.3901 -30.3839 91.9181 GPRESSAVG: 4900400 -72.1018 -53.8821 -44.3028 -54.7699 5.0131 -27.3979 -42.4161 -33.2593 91.6946 TIMING: 4900400 CPU: 14189, 0.002981/step Wall: 14189, 0.002981/step, 0.0824744 hours remaining, 211.511719 MB of memory in use. ENERGY: 4900400 710.4539 2080.8194 1956.6272 120.3825 -206460.3942 18013.3530 0.0000 0.0000 34264.4967 -149314.2616 299.2404 -183578.7583 -149211.7595 298.7006 -0.3219 28.9831 557736.7419 8.3150 8.2020 PRESSURE: 4900600 311.537 -34.3804 53.5287 -34.3809 -167.785 -117.975 53.5283 -117.975 44.9542 GPRESSURE: 4900600 386.595 -105.344 -6.23885 0.341283 -94.9265 -103.28 104.169 -114.732 -2.64479 PRESSAVG: 4900600 2.03382 -44.2555 61.7171 -44.2555 -44.4365 7.46833 61.7171 7.46832 20.9263 GPRESSAVG: 4900600 1.64425 -47.2146 62.4936 -42.081 -44.0786 4.33092 60.9765 10.7945 21.2035 TIMING: 4900600 CPU: 14189.6, 0.00293802/step Wall: 14189.6, 0.00293802/step, 0.0811221 hours remaining, 211.714844 MB of memory in use. ENERGY: 4900600 722.1706 2086.8500 1966.4413 109.2053 -206662.3572 18073.6382 0.0000 0.0000 34224.0105 -149480.0413 298.8868 -183704.0518 -149390.3662 298.2414 62.9021 96.3411 556769.1746 -7.1588 -7.0769 PRESSURE: 4900800 -20.1413 -184.354 -9.4294 -184.353 -73.5218 160.317 -9.42939 160.315 6.03232 GPRESSURE: 4900800 32.1765 -84.4695 101.144 -147.349 -14.9831 232.11 -28.1098 90.249 -7.99662 PRESSAVG: 4900800 20.3589 -16.3062 31.3141 -16.3061 -7.90717 -11.7392 31.3141 -11.7391 1.30542 GPRESSAVG: 4900800 20.4661 -14.2266 29.6957 -16.8168 -7.22958 -10.7173 32.442 -14.6147 0.550296 TIMING: 4900800 CPU: 14190.2, 0.00293134/step Wall: 14190.2, 0.00293134/step, 0.0807748 hours remaining, 211.714844 MB of memory in use. ENERGY: 4900800 730.3225 2061.0266 1951.3441 116.9718 -206141.7603 17708.7597 0.0000 0.0000 34112.7866 -149460.5490 297.9154 -183573.3356 -149366.1018 299.0565 -29.2103 3.0656 556032.0585 4.5857 4.5956 PRESSURE: 4901000 215.183 -120.142 94.4847 -120.141 -270.181 38.7123 94.4851 38.7108 131.287 GPRESSURE: 4901000 248.627 -172.474 83.0779 -86.644 -224.772 5.76835 61.529 71.2596 163.482 PRESSAVG: 4901000 28.328 -74.4717 -0.119338 -74.4717 -17.0116 65.1789 -0.119279 65.1789 3.72558 GPRESSAVG: 4901000 28.0959 -75.8017 0.0146204 -73.5843 -18.2029 63.9816 -2.76971 68.0161 5.38578 TIMING: 4901000 CPU: 14190.7, 0.00292294/step Wall: 14190.7, 0.00292294/step, 0.080381 hours remaining, 211.714844 MB of memory in use. ENERGY: 4901000 707.6679 2071.4358 1960.8725 106.4059 -206278.7749 17799.4171 0.0000 0.0000 34167.7021 -149465.2736 298.3950 -183632.9757 -149367.2628 298.8404 25.4297 62.4456 555622.8230 5.0140 5.0929 PRESSURE: 4901200 -146.034 -136.96 34.2253 -136.96 -363.815 13.7328 34.2235 13.7334 -214.255 GPRESSURE: 4901200 -161.437 -188.087 68.9246 -143.008 -343.246 -50.6392 97.6262 46.2968 -120.635 PRESSAVG: 4901200 36.0394 -20.8139 -7.18057 -20.8138 -0.278617 9.24552 -7.1806 9.24556 -30.5295 GPRESSAVG: 4901200 35.7144 -19.4861 -9.66653 -21.9844 -0.103026 10.3387 -3.65235 6.83235 -31.3612 TIMING: 4901200 CPU: 14191.3, 0.00293028/step Wall: 14191.3, 0.00293028/step, 0.08042 hours remaining, 211.714844 MB of memory in use. ENERGY: 4901200 755.7646 2035.4969 1937.3357 108.1743 -205763.6098 17357.5167 0.0000 0.0000 34085.5743 -149483.7473 297.6778 -183569.3216 -149387.5792 298.0736 -241.3679 -208.4394 557690.7571 1.7437 1.4167 PRESSURE: 4901400 -347.71 -134.754 -74.3085 -134.753 -153.362 -40.5178 -74.3083 -40.518 175.139 GPRESSURE: 4901400 -338.881 -47.7432 -58.3324 -267.158 -84.1003 -56.1004 -72.451 9.80838 198.447 PRESSAVG: 4901400 -17.3035 -29.2712 -13.7541 -29.2711 -10.1993 25.2641 -13.7541 25.264 72.4353 GPRESSAVG: 4901400 -17.8828 -28.6733 -11.2841 -30.6622 -10.2715 27.6627 -15.2182 25.5652 72.9838 TIMING: 4901400 CPU: 14191.9, 0.00295833/step Wall: 14191.9, 0.00295833/step, 0.0810255 hours remaining, 211.714844 MB of memory in use. ENERGY: 4901400 738.3301 2082.4028 1949.0232 111.7333 -206242.8445 17663.4889 0.0000 0.0000 34171.4329 -149526.4334 298.4276 -183697.8663 -149435.3747 298.6381 -108.6442 -74.8448 556531.8639 14.9775 14.9431 PRESSURE: 4901600 -162.384 62.6442 -3.40539 62.6454 148.492 -63.1415 -3.4057 -63.1428 300.139 GPRESSURE: 4901600 -163.634 57.4943 -82.6879 109.99 210.771 -81.1547 69.5323 -40.1778 320.291 PRESSAVG: 4901600 2.52237 41.1938 -44.7694 41.1938 -43.0685 -10.7252 -44.7694 -10.7252 74.5742 GPRESSAVG: 4901600 2.64327 38.6655 -46.0483 41.9154 -42.2729 -15.4125 -45.0039 -7.83007 74.0245 TIMING: 4901600 CPU: 14192.5, 0.00293599/step Wall: 14192.5, 0.00293599/step, 0.0802504 hours remaining, 211.714844 MB of memory in use. ENERGY: 4901600 720.9893 2090.8133 1909.9873 104.3179 -206608.6877 17977.3225 0.0000 0.0000 34304.2716 -149500.9858 299.5877 -183805.2574 -149405.2887 298.6708 95.4157 122.4762 555787.7272 11.3427 11.4650 PRESSURE: 4901800 155.115 93.5983 -11.2664 93.5973 -25.1272 -34.783 -11.2657 -34.7844 -19.2874 GPRESSURE: 4901800 139.286 96.167 -13.2389 141.275 51.6434 -55.137 -32.8878 -79.6533 11.4995 PRESSAVG: 4901800 47.5218 1.22134 -10.7345 1.22123 32.5307 -40.7651 -10.7345 -40.7651 -16.5367 GPRESSAVG: 4901800 47.5763 1.48364 -9.4831 1.8197 32.4022 -38.0715 -12.4527 -43.6038 -16.847 TIMING: 4901800 CPU: 14193.1, 0.00295883/step Wall: 14193.1, 0.00295883/step, 0.0807102 hours remaining, 211.714844 MB of memory in use. ENERGY: 4901800 769.2025 2108.6376 1949.2365 109.9852 -206177.1129 17763.3086 0.0000 0.0000 34149.5738 -149327.1687 298.2367 -183476.7426 -149234.5270 299.4402 36.9001 67.4764 555869.9105 21.1719 21.0438 PRESSURE: 4902000 21.761 -32.8072 -95.4526 -32.8069 -176.876 162.339 -95.4534 162.34 -40.0683 GPRESSURE: 4902000 88.3177 -14.9193 -69.7173 -39.2248 -224.193 233.61 -97.8807 93.7441 36.0462 PRESSAVG: 4902000 9.71844 -36.4258 -5.23295 -36.4258 36.5303 71.5842 -5.2329 71.5841 -36.6773 GPRESSAVG: 4902000 8.93326 -36.0828 -4.74595 -35.7392 36.2148 70.9193 -2.95615 71.6373 -35.401 TIMING: 4902000 CPU: 14193.7, 0.00294314/step Wall: 14193.7, 0.00294314/step, 0.0801188 hours remaining, 211.714844 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: 4902000 739.0717 2027.2038 1972.9132 130.1462 -206476.3988 17933.4746 0.0000 0.0000 34209.9443 -149463.6449 298.7640 -183673.5892 -149370.0182 298.4725 -65.0611 -33.2765 557467.2667 3.1905 3.2490 PRESSURE: 4902200 -130.156 -1.29959 68.5441 -1.29851 -217.945 220.566 68.5438 220.566 -101.691 GPRESSURE: 4902200 -77.9605 -24.1464 92.6603 19.6855 -179.927 154.793 30.6756 235.365 -79.416 PRESSAVG: 4902200 93.083 14.2543 -10.5517 14.2544 -103.223 65.5997 -10.5517 65.5997 34.4638 GPRESSAVG: 4902200 95.0399 13.3259 -12.2453 13.3935 -103.73 65.4769 -11.5874 64.4338 33.5128 TIMING: 4902200 CPU: 14194.3, 0.00292263/step Wall: 14194.3, 0.00292263/step, 0.0793981 hours remaining, 211.714844 MB of memory in use. ENERGY: 4902200 719.9215 2086.8450 1933.1319 106.6896 -206183.2145 17629.6449 0.0000 0.0000 34137.9095 -149569.0720 298.1349 -183706.9815 -149474.7832 298.5602 -149.9308 -112.4345 557840.0276 8.1080 8.2743 PRESSURE: 4902400 -42.4029 5.89721 -52.1524 5.89711 76.2256 139.573 -52.1531 139.575 65.8587 GPRESSURE: 4902400 5.70033 14.2468 -88.4167 37.323 107.114 166.027 -21.9683 144.589 84.8317 PRESSAVG: 4902400 -47.6006 37.9299 -15.8481 37.93 27.9506 59.2846 -15.8481 59.2845 29.2744 GPRESSAVG: 4902400 -47.2261 41.5798 -15.0801 35.5844 27.6364 60.1573 -16.4304 60.4122 29.258 TIMING: 4902400 CPU: 14194.9, 0.00292585/step Wall: 14194.9, 0.00292585/step, 0.0793232 hours remaining, 211.714844 MB of memory in use. ENERGY: 4902400 743.8308 1996.6614 1923.3170 109.0695 -206321.5300 17736.3827 0.0000 0.0000 34166.6131 -149645.6556 298.3855 -183812.2688 -149554.1184 298.3689 33.2271 65.8821 554745.6272 3.2081 3.2227 PRESSURE: 4902600 82.9125 24.2705 -97.9989 24.2711 -246.204 -84.9109 -97.9989 -84.9134 78.0704 GPRESSURE: 4902600 91.5718 45.8385 -121.002 33.0524 -204.29 -89.9762 -87.3977 -97.6273 111.347 PRESSAVG: 4902600 15.7423 48.8567 -9.23175 48.8566 -6.26405 22.4997 -9.23175 22.4996 -17.8384 GPRESSAVG: 4902600 14.9346 45.6161 -8.82567 50.2796 -5.51497 20.5484 -9.31151 24.0885 -18.3454 TIMING: 4902600 CPU: 14195.4, 0.00293503/step Wall: 14195.4, 0.00293503/step, 0.079409 hours remaining, 211.714844 MB of memory in use. ENERGY: 4902600 726.6953 2075.8979 1980.6944 108.1192 -206601.8221 17993.2821 0.0000 0.0000 34104.9458 -149612.1873 297.8470 -183717.1331 -149514.3556 298.2330 -28.4072 -0.4571 557030.0483 -2.7867 -2.9753 PRESSURE: 4902800 -259.529 28.7312 38.2677 28.7302 -114.226 -92.8296 38.2677 -92.8309 131.058 GPRESSURE: 4902800 -256.773 9.19009 80.6625 -0.690675 -70.5813 -33.9167 -15.4323 -90.0154 175.592 PRESSAVG: 4902800 8.1176 24.177 -34.7931 24.1769 -23.5894 -10.1505 -34.7932 -10.1506 -0.928786 GPRESSAVG: 4902800 6.88424 25.7935 -35.8437 22.4034 -23.3993 -8.84026 -33.5358 -11.1336 0.169149 TIMING: 4902800 CPU: 14196, 0.00290015/step Wall: 14196, 0.00290015/step, 0.078304 hours remaining, 211.714844 MB of memory in use. ENERGY: 4902800 760.1923 2057.4441 1945.1671 108.2581 -206313.5513 17884.0653 0.0000 0.0000 34084.7655 -149473.6588 297.6707 -183558.4244 -149374.0145 297.9450 -80.8988 -50.5872 558066.1126 -5.4669 -5.4486 PRESSURE: 4903000 -90.1656 23.8271 -50.2536 23.826 -97.9657 7.85073 -50.2554 7.8501 -151.114 GPRESSURE: 4903000 -62.8458 22.4919 -84.0589 11.3434 -37.0757 21.6817 -28.6376 68.1183 -134.289 PRESSAVG: 4903000 -9.02249 21.3943 -19.9313 21.3943 27.5109 -20.6387 -19.9313 -20.6388 -19.0313 GPRESSAVG: 4903000 -8.06708 20.5434 -20.1207 23.0918 28.0352 -20.3001 -21.3443 -20.5111 -20.2731 TIMING: 4903000 CPU: 14196.6, 0.00290157/step Wall: 14196.6, 0.00290157/step, 0.0781811 hours remaining, 211.714844 MB of memory in use. ENERGY: 4903000 737.7113 2062.6638 1941.9997 116.1374 -206140.1086 17716.9282 0.0000 0.0000 34030.2384 -149534.4297 297.1945 -183564.6681 -149437.4598 298.3594 -113.0819 -78.0703 558441.4547 -0.1810 -0.1017 PRESSURE: 4903200 186.197 -11.1057 -155.223 -11.1062 -102.601 -193.871 -155.223 -193.871 68.2869 GPRESSURE: 4903200 202.405 9.22107 -142.35 -59.5479 -51.2485 -202.395 -166.123 -236.668 110.98 PRESSAVG: 4903200 37.2504 51.0779 11.8372 51.0779 -45.4457 -46.1841 11.8371 -46.184 5.35624 GPRESSAVG: 4903200 38.0588 51.27 12.9001 50.287 -47.2381 -47.8844 12.3542 -46.6014 6.19453 TIMING: 4903200 CPU: 14197.2, 0.00292823/step Wall: 14197.2, 0.00292823/step, 0.0787369 hours remaining, 211.714844 MB of memory in use. ENERGY: 4903200 762.0478 2034.2196 1959.9661 112.7636 -206436.6005 17947.8250 0.0000 0.0000 34186.5204 -149433.2579 298.5594 -183619.7783 -149329.5845 298.4240 50.6275 87.3788 557558.5685 -0.9463 -0.9949 PRESSURE: 4903400 -212.931 -59.5085 17.715 -59.5066 -63.2416 -134.211 17.7146 -134.212 -172.181 GPRESSURE: 4903400 -185.285 -14.6818 35.2867 -6.489 -55.9882 -184.324 -45.3203 -54.1768 -120.747 PRESSAVG: 4903400 -14.5176 65.3276 43.5347 65.3276 -26.683 -53.0865 43.5347 -53.0864 41.8008 GPRESSAVG: 4903400 -15.4626 65.2618 43.0935 66.9091 -26.0933 -50.6128 43.7198 -54.0103 42.1903 TIMING: 4903400 CPU: 14197.8, 0.00291492/step Wall: 14197.8, 0.00291492/step, 0.078217 hours remaining, 211.714844 MB of memory in use. ENERGY: 4903400 770.7980 2028.1053 1933.4027 99.0465 -206041.6009 17638.6872 0.0000 0.0000 34213.4856 -149358.0756 298.7949 -183571.5612 -149262.2592 298.6288 -149.4511 -120.6734 557901.4459 0.2001 0.2115 PRESSURE: 4903600 -40.7334 63.6333 138.295 63.6325 3.28098 -14.1931 138.296 -14.194 42.9466 GPRESSURE: 4903600 2.98273 37.7942 99.3283 -33.7694 3.93994 44.8977 148.511 -23.2405 107.665 PRESSAVG: 4903600 -24.7499 8.6022 39.8846 8.60221 -24.6194 26.165 39.8846 26.165 18.0846 GPRESSAVG: 4903600 -25.2813 6.73879 40.4943 7.92881 -24.0573 24.9365 40.8082 27.0647 17.6232 TIMING: 4903600 CPU: 14198.4, 0.00290584/step Wall: 14198.4, 0.00290584/step, 0.0778118 hours remaining, 211.714844 MB of memory in use. ENERGY: 4903600 733.3167 2031.9320 1918.6452 121.0541 -206246.1391 17819.6235 0.0000 0.0000 34200.5458 -149421.0217 298.6819 -183621.5675 -149320.0853 299.0947 1.8314 38.1957 556888.3729 -10.4282 -10.5718 PRESSURE: 4903800 4.62011 -37.7345 33.8954 -37.7351 157.962 82.9133 33.8951 82.9126 201.334 GPRESSURE: 4903800 -47.5431 -50.1338 10.199 39.8889 234.898 129.046 34.9134 -27.6928 282.682 PRESSAVG: 4903800 -11.6511 26.1277 14.6866 26.1278 41.3125 10.2469 14.6865 10.2469 -14.2185 GPRESSAVG: 4903800 -12.6413 28.7652 12.2664 23.782 42.5166 10.5297 16.3269 10.4754 -14.7846 TIMING: 4903800 CPU: 14198.9, 0.0028921/step Wall: 14198.9, 0.0028921/step, 0.0772834 hours remaining, 211.714844 MB of memory in use. ENERGY: 4903800 763.6563 2046.3811 1941.1807 110.9793 -206456.4823 18092.5698 0.0000 0.0000 34249.1199 -149252.5952 299.1061 -183501.7151 -149153.8416 298.6628 121.3056 156.6791 556187.2646 5.1476 5.0302 PRESSURE: 4904000 -220.713 54.5272 127.038 54.5268 -250.273 228.465 127.037 228.467 -415.509 GPRESSURE: 4904000 -195.854 45.3768 206.33 17.0815 -178.384 173.067 158.81 281.274 -408.866 PRESSAVG: 4904000 -43.6458 -24.1335 11.7412 -24.1334 -13.2349 25.3501 11.7413 25.3502 28.2521 GPRESSAVG: 4904000 -43.7004 -26.6471 15.8493 -21.0921 -14.2354 23.2292 9.2458 25.7794 29.1442 TIMING: 4904000 CPU: 14199.5, 0.0028928/step Wall: 14199.5, 0.0028928/step, 0.0771412 hours remaining, 211.714844 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: 4904000 740.2789 2028.9289 1939.9577 115.2131 -205614.9264 17516.7712 0.0000 0.0000 34107.5314 -149166.2452 297.8696 -183273.7766 -149070.0952 299.2496 -295.4982 -261.0350 559077.4924 -9.5429 -9.5972 PRESSURE: 4904200 -165.746 108.463 107.59 108.463 -368.617 -10.5562 107.59 -10.5567 97.2363 GPRESSURE: 4904200 -127.044 147.248 78.3496 43.0973 -329.746 -6.87516 116.886 3.96925 109.794 PRESSAVG: 4904200 38.7971 33.9959 22.0626 33.9959 -34.6237 18.2568 22.0625 18.2568 24.33 GPRESSAVG: 4904200 38.9555 35.5187 19.7052 31.9372 -34.3651 19.7918 21.9367 19.0226 23.7735 TIMING: 4904200 CPU: 14200.1, 0.0029173/step Wall: 14200.1, 0.0029173/step, 0.0776326 hours remaining, 211.714844 MB of memory in use. ENERGY: 4904200 754.1400 2035.5616 1939.5460 112.6244 -206180.7398 17743.5766 0.0000 0.0000 34462.2334 -149133.0578 300.9673 -183595.2912 -149033.4110 299.8972 -145.7089 -115.6654 557461.8068 9.5011 9.4546 LDB: ============= START OF LOAD BALANCING ============== 14203.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14203.5 LDB: =============== DONE WITH MIGRATION ================ 14203.5 LDB: ============= START OF LOAD BALANCING ============== 14203.8 LDB: Largest compute 4773 load 0.027860 is 23.6% of average load 0.118170 LDB: Average compute 0.001729 is 1.5% of average load 0.118170 LDB: TIME 14203.8 LOAD: AVG 0.11817 MAX 0.17806 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.535 MB LDB: TIME 14203.8 LOAD: AVG 0.11817 MAX 0.17806 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.738 MB LDB: TIME 14203.8 LOAD: AVG 0.11817 MAX 0.17806 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.738 MB LDB: ============== END OF LOAD BALANCING =============== 14203.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 14203.8 Info: useSync: 0 useProxySync: 0 PRESSURE: 4904400 82.0866 9.5064 -90.8428 9.50629 -134.814 67.5446 -90.8432 67.5445 197.984 GPRESSURE: 4904400 145.983 21.328 -90.5624 39.6458 -87.0619 37.4724 -74.9369 132.202 188.125 PRESSAVG: 4904400 54.5635 -35.5186 -24.4344 -35.5187 -40.8795 -17.5725 -24.4344 -17.5725 -4.05517 GPRESSAVG: 4904400 54.883 -34.858 -23.983 -35.4708 -40.9488 -19.2768 -24.0065 -18.1068 -3.83122 TIMING: 4904400 CPU: 14200.7, 0.00299998/step Wall: 14200.7, 0.00299998/step, 0.079666 hours remaining, 212.792969 MB of memory in use. ENERGY: 4904400 699.2456 2089.3547 1947.7635 116.5762 -205949.5441 17746.3771 0.0000 0.0000 34135.6103 -149214.6166 298.1148 -183350.2270 -149112.9507 299.1086 48.4189 82.3487 557627.8692 3.2096 3.3677 PRESSURE: 4904600 -21.7453 5.99075 74.1463 5.99 216.552 9.61678 74.1461 9.61665 88.2633 GPRESSURE: 4904600 -1.58131 -51.4488 27.1594 16.4432 225.866 54.4354 89.8973 -0.809813 153.599 PRESSAVG: 4904600 -8.44053 12.7505 13.2599 12.7505 13.3846 7.65381 13.2597 7.65375 6.07182 GPRESSAVG: 4904600 -8.51679 11.298 13.2669 14.2536 13.6455 7.69104 14.5247 6.96292 5.5642 TIMING: 4904600 CPU: 14201.3, 0.0029516/step Wall: 14201.3, 0.0029516/step, 0.0782173 hours remaining, 212.992188 MB of memory in use. ENERGY: 4904600 737.2199 2064.7830 1941.5832 106.0403 -206363.4262 17999.4820 0.0000 0.0000 34299.3552 -149214.9625 299.5448 -183514.3177 -149120.2634 298.7704 94.3567 125.9614 557549.4206 3.6720 3.5643 PRESSURE: 4904800 217.328 109.942 -8.15368 109.942 -133.99 74.7413 -8.1538 74.7422 84.4446 GPRESSURE: 4904800 278.365 81.6784 -48.6159 84.5003 -109.431 17.4171 5.51937 128.686 104.468 PRESSAVG: 4904800 67.2782 -14.3197 -32.4674 -14.3197 -38.6365 -2.14915 -32.4675 -2.14903 -12.7295 GPRESSAVG: 4904800 67.6688 -12.6271 -33.3773 -18.0604 -38.472 -2.71248 -32.6723 -1.61896 -12.8308 TIMING: 4904800 CPU: 14201.9, 0.00291647/step Wall: 14201.9, 0.00291647/step, 0.0771245 hours remaining, 212.992188 MB of memory in use. ENERGY: 4904800 739.7547 2166.2222 1940.3096 125.1299 -206220.3185 17967.8105 0.0000 0.0000 34174.7688 -149106.3228 298.4568 -183281.0916 -149013.2486 299.5261 55.9273 91.1340 558882.5631 5.3041 5.4553 PRESSURE: 4905000 37.4745 79.0947 -60.3747 79.0944 158.03 -18.2909 -60.375 -18.291 -24.2557 GPRESSURE: 4905000 85.3763 25.9577 20.2087 92.0243 164.854 -14.1476 -102.384 -53.8217 22.5207 PRESSAVG: 4905000 -27.9094 36.2288 8.8205 36.2288 16.8997 -46.8442 8.82054 -46.8442 6.62806 GPRESSAVG: 4905000 -27.6665 37.4119 9.75805 36.6062 15.5088 -46.3718 6.86416 -47.2645 7.50437 TIMING: 4905000 CPU: 14202.4, 0.00288283/step Wall: 14202.4, 0.00288283/step, 0.0760747 hours remaining, 212.992188 MB of memory in use. ENERGY: 4905000 733.3248 2078.8179 1946.2288 114.2630 -206577.1386 18139.0598 0.0000 0.0000 34402.8830 -149162.5614 300.4489 -183565.4444 -149060.6763 299.4315 57.0829 90.9171 558304.8325 -1.4605 -1.5511 PRESSURE: 4905200 -63.8494 90.2499 -95.7089 90.2509 -40.9398 167.41 -95.7075 167.411 -54.513 GPRESSURE: 4905200 -45.9038 149.622 -75.4328 30.8961 36.111 153.008 20.802 141.387 -43.334 PRESSAVG: 4905200 38.4507 14.62 -59.5122 14.62 -23.9402 46.8131 -59.5122 46.813 -31.9746 GPRESSAVG: 4905200 38.071 12.5423 -58.7176 17.7575 -22.084 46.1449 -58.6279 47.8627 -33.0667 TIMING: 4905200 CPU: 14203, 0.00292112/step Wall: 14203, 0.00292112/step, 0.0769229 hours remaining, 212.992188 MB of memory in use. ENERGY: 4905200 743.5777 2027.8254 1953.0711 102.2483 -205996.9737 17799.0581 0.0000 0.0000 34101.6316 -149269.5614 297.8180 -183371.1929 -149172.6158 299.1529 -53.1007 -17.7089 560070.5369 -5.8214 -5.6932 PRESSURE: 4905400 -363.596 -97.2214 100.771 -97.2197 -91.8851 9.82831 100.771 9.82776 -14.9344 GPRESSURE: 4905400 -288.176 30.5679 46.472 -126.395 -64.8062 33.8036 103.527 -7.89649 -26.9018 PRESSAVG: 4905400 -19.6651 50.986 -41.1742 50.986 5.26072 0.990842 -41.1742 0.990874 38.0652 GPRESSAVG: 4905400 -18.7914 50.5926 -42.5614 50.2009 4.04887 0.954892 -41.3306 0.846866 37.8556 TIMING: 4905400 CPU: 14203.6, 0.00292169/step Wall: 14203.6, 0.00292169/step, 0.0767756 hours remaining, 212.992188 MB of memory in use. ENERGY: 4905400 753.0229 2094.2691 1953.8369 123.8898 -206240.2510 17720.4105 0.0000 0.0000 34257.8584 -149336.9634 299.1824 -183594.8218 -149244.6722 298.7644 -156.8051 -126.6281 558185.3764 7.8869 7.7044 PRESSURE: 4905600 -135.313 146.076 78.3134 146.077 -164.378 192.773 78.3128 192.772 144.314 GPRESSURE: 4905600 -42.1332 222.138 121.06 68.2116 -189.886 109.603 -44.1808 99.9845 175.097 PRESSAVG: 4905600 -30.905 24.6777 -17.2948 24.6777 0.465728 46.0913 -17.2947 46.0912 46.6827 GPRESSAVG: 4905600 -31.4302 23.4174 -15.713 24.6999 0.646795 48.6387 -17.3247 44.8513 46.991 TIMING: 4905600 CPU: 14204.2, 0.00294002/step Wall: 14204.2, 0.00294002/step, 0.0770938 hours remaining, 212.992188 MB of memory in use. ENERGY: 4905600 717.6764 2125.3929 1947.6879 126.3227 -206112.3066 17633.0043 0.0000 0.0000 34160.3222 -149401.9003 298.3306 -183562.2225 -149306.9068 298.8973 -51.7925 -18.9742 558734.7068 5.4145 5.4025 PRESSURE: 4905800 -168.156 120.878 147.251 120.878 114.218 15.7868 147.251 15.7883 -160.063 GPRESSURE: 4905800 -109.119 157.785 68.4662 59.5702 110.997 5.59408 201.496 67.8161 -113.599 PRESSAVG: 4905800 28.1806 23.2813 24.8143 23.2812 13.5061 -40.4211 24.8143 -40.421 -49.7361 GPRESSAVG: 4905800 27.1783 26.2974 22.5249 23.0275 13.8301 -41.667 25.9371 -39.6035 -49.5274 TIMING: 4905800 CPU: 14204.8, 0.00293413/step Wall: 14204.8, 0.00293413/step, 0.0767765 hours remaining, 212.992188 MB of memory in use. ENERGY: 4905800 757.5055 2083.6921 1945.0371 93.7703 -206311.0090 17810.8107 0.0000 0.0000 34222.1292 -149398.0641 298.8704 -183620.1933 -149300.1269 298.9781 -71.3337 -37.2402 557691.7563 -2.6832 -2.8397 PRESSURE: 4906000 35.7949 51.7324 123.097 51.7332 79.4492 17.6324 123.095 17.6333 140.201 GPRESSURE: 4906000 127.37 50.4696 -39.3623 53.1744 48.0396 58.4388 160.099 -81.0869 171.815 PRESSAVG: 4906000 22.3278 -7.88707 9.53048 -7.88704 6.78955 11.4078 9.5305 11.4077 -41.4397 GPRESSAVG: 4906000 22.8588 -6.4445 9.61645 -8.60523 4.96307 9.5597 8.41457 11.8787 -40.1573 TIMING: 4906000 CPU: 14205.4, 0.00291067/step Wall: 14205.4, 0.00291067/step, 0.0760009 hours remaining, 212.992188 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: 4906000 721.6080 2095.5567 1942.5859 109.3830 -206252.0474 17939.8943 0.0000 0.0000 34142.5447 -149300.4748 298.1753 -183443.0195 -149196.6144 298.7597 85.1484 115.7415 556589.5176 -4.1075 -4.1118 PRESSURE: 4906200 21.3351 -134.506 -57.7492 -134.505 -5.75953 -65.7981 -57.7497 -65.7997 89.7356 GPRESSURE: 4906200 47.1025 -177.032 -66.1881 -135.838 66.3678 17.3859 -87.8685 -101.741 93.1917 PRESSAVG: 4906200 47.8255 58.6059 -8.08811 58.6058 -31.7163 59.9133 -8.08801 59.9132 -35.0328 GPRESSAVG: 4906200 48.3707 53.4055 -6.92351 59.0307 -30.4062 61.4184 -8.26468 58.7762 -36.1792 TIMING: 4906200 CPU: 14206, 0.00291776/step Wall: 14206, 0.00291776/step, 0.0760238 hours remaining, 212.992188 MB of memory in use. ENERGY: 4906200 716.1966 2129.5588 1959.7320 134.9375 -206231.5003 17872.6318 0.0000 0.0000 34090.5287 -149327.9149 297.7211 -183418.4435 -149239.1573 298.9917 35.1037 68.8873 557112.2329 -6.3079 -6.0716 PRESSURE: 4906400 103.978 287.87 57.9386 287.869 -240.853 -30.5574 57.9379 -30.5568 5.3514 GPRESSURE: 4906400 170.876 176.163 150.766 290.926 -154.276 50.289 37.8893 -127.829 -36.6348 PRESSAVG: 4906400 89.4618 -6.52681 49.7214 -6.52685 -31.6907 31.6137 49.7214 31.6138 -24.4611 GPRESSAVG: 4906400 88.7253 -3.43624 49.3657 -7.7244 -31.4092 32.0077 49.914 31.6085 -24.8697 TIMING: 4906400 CPU: 14206.5, 0.00290147/step Wall: 14206.5, 0.00290147/step, 0.0754383 hours remaining, 212.992188 MB of memory in use. ENERGY: 4906400 760.4923 2068.5142 1962.6103 130.5025 -206040.7080 17695.4156 0.0000 0.0000 34300.9678 -149122.2053 299.5589 -183423.1730 -149022.2236 299.5101 -43.8412 -6.6783 557783.3238 11.1033 10.8154 PRESSURE: 4906600 148.175 -80.2315 -11.0687 -80.2307 101.772 -177.589 -11.0676 -177.59 -111.832 GPRESSURE: 4906600 214.919 -50.8085 63.4054 -39.057 70.422 -35.3354 -1.34343 -153.689 -49.2511 PRESSAVG: 4906600 39.4932 40.3136 20.1615 40.3137 -29.2732 10.0028 20.1616 10.0028 -9.5634 GPRESSAVG: 4906600 39.8078 38.0096 20.0184 44.8213 -29.8724 11.275 20.3236 11.0507 -8.81115 TIMING: 4906600 CPU: 14207.1, 0.00290362/step Wall: 14207.1, 0.00290362/step, 0.0753328 hours remaining, 212.992188 MB of memory in use. ENERGY: 4906600 763.5624 2136.5638 1960.7977 128.0602 -206481.3259 17853.0804 0.0000 0.0000 34470.0087 -149169.2527 301.0352 -183639.2614 -149065.4001 300.5767 46.0384 78.6967 557019.0119 0.2189 0.3748 PRESSURE: 4906800 -172.918 20.0093 -69.3626 20.0102 -99.1233 40.1664 -69.3629 40.1636 -420.862 GPRESSURE: 4906800 -138.555 96.4333 -105.809 -45.3532 -63.1245 59.6148 -8.68561 -48.2648 -383.896 PRESSAVG: 4906800 57.8222 -1.33122 32.8227 -1.33126 -2.8884 27.0528 32.8227 27.0529 -56.5433 GPRESSAVG: 4906800 58.5429 -1.24126 33.2765 -2.13305 -1.96049 27.2042 32.857 26.3162 -57.9805 TIMING: 4906800 CPU: 14207.7, 0.00290278/step Wall: 14207.7, 0.00290278/step, 0.0751498 hours remaining, 212.992188 MB of memory in use. ENERGY: 4906800 811.0838 2023.1307 1936.3869 114.9561 -206310.3792 17669.7991 0.0000 0.0000 34559.0301 -149195.9926 301.8126 -183755.0226 -149095.5742 300.3804 -230.9678 -195.1917 557532.1264 -0.5365 -0.4660 PRESSURE: 4907000 -297.393 -141.251 14.2359 -141.253 -464.069 -108.5 14.235 -108.499 -391.211 GPRESSURE: 4907000 -257.412 -84.1829 -14.8341 -158.547 -463.639 -77.4763 65.5118 -110.557 -330.332 PRESSAVG: 4907000 57.0348 -4.17454 10.3095 -4.17462 -39.9265 7.36418 10.3094 7.36418 -12.6271 GPRESSAVG: 4907000 56.0769 -3.31355 9.32041 -5.88675 -40.593 5.58208 9.14806 8.11907 -10.7291 TIMING: 4907000 CPU: 14208.3, 0.0029231/step Wall: 14208.3, 0.0029231/step, 0.0755134 hours remaining, 212.992188 MB of memory in use. ENERGY: 4907000 779.8377 2085.7562 1948.5106 104.5813 -205438.1809 17111.2189 0.0000 0.0000 34318.9027 -149089.3736 299.7155 -183408.2763 -149000.6789 299.6405 -384.2243 -350.4613 557068.7438 1.4937 1.5849 PRESSURE: 4907200 -161.493 -76.7882 20.1538 -76.7884 -92.6034 166.105 20.153 166.104 7.73485 GPRESSURE: 4907200 -116.396 -89.4156 17.0025 -20.3272 -29.3035 165.043 78.7503 160.012 -6.00404 PRESSAVG: 4907200 -2.90657 -19.7194 68.0737 -19.7195 -20.3022 27.0592 68.0737 27.0592 24.4923 GPRESSAVG: 4907200 -1.36222 -17.4622 68.8435 -20.0747 -21.3125 28.5331 69.8673 25.4259 23.7877 TIMING: 4907200 CPU: 14208.9, 0.0029215/step Wall: 14208.9, 0.0029215/step, 0.0753097 hours remaining, 213.250000 MB of memory in use. ENERGY: 4907200 718.1352 2059.5752 1967.3268 115.0780 -205593.4974 17452.9313 0.0000 0.0000 34048.0128 -149232.4380 297.3498 -183280.4508 -149131.4383 299.7328 -82.1205 -50.5677 556368.6959 0.4279 0.3710 PRESSURE: 4907400 -57.3826 172.803 27.814 172.804 118.593 -37.8815 27.8145 -37.8813 134.147 GPRESSURE: 4907400 -36.2618 151.069 67.516 55.4305 122.611 4.28868 0.405601 22.7766 195.285 PRESSAVG: 4907400 -56.1037 -35.394 15.9068 -35.3942 -4.77596 7.27945 15.9067 7.27947 77.1764 GPRESSAVG: 4907400 -55.3366 -37.6892 14.4886 -35.7682 -4.38335 7.07756 15.2767 8.25563 76.3936 TIMING: 4907400 CPU: 14209.4, 0.00289507/step Wall: 14209.4, 0.00289507/step, 0.0744676 hours remaining, 213.250000 MB of memory in use. ENERGY: 4907400 742.0655 2065.4980 1999.8865 106.9400 -206263.0325 17794.4442 0.0000 0.0000 34265.3074 -149288.8909 299.2475 -183554.1983 -149184.2886 298.4276 65.1192 93.8781 557715.1184 5.4322 5.5579 PRESSURE: 4907600 -246.266 26.6096 5.47913 26.6075 -250.647 -86.1051 5.47792 -86.1053 -119.175 GPRESSURE: 4907600 -272.526 37.9795 1.0161 12.7965 -178.025 -128.759 32.8157 -49.5077 -65.7835 PRESSAVG: 4907600 -16.949 -25.5894 -23.7168 -25.5894 -17.154 3.39933 -23.7167 3.3993 24.4723 GPRESSAVG: 4907600 -19.5562 -25.4637 -21.9486 -23.4469 -16.4151 2.07246 -25.8566 1.02832 26.0909 TIMING: 4907600 CPU: 14210, 0.00296093/step Wall: 14210, 0.00296093/step, 0.0759973 hours remaining, 213.250000 MB of memory in use. ENERGY: 4907600 775.4268 2073.1756 1973.9758 120.6514 -205619.9354 17452.3844 0.0000 0.0000 34012.9069 -149211.4147 297.0432 -183224.3216 -149110.2007 298.7542 -205.3627 -172.1115 558303.3401 -3.2103 -3.2935 PRESSURE: 4907800 -67.6805 -126.933 54.8094 -126.934 -54.8765 -42.4442 54.809 -42.4448 221.012 GPRESSURE: 4907800 -66.6938 -89.4359 -17.6406 -166.355 -78.0851 -18.4333 31.8746 -43.0509 335.928 PRESSAVG: 4907800 -12.5941 -53.8006 -20.1321 -53.8006 -81.2936 -51.7335 -20.1321 -51.7335 55.516 GPRESSAVG: 4907800 -11.6702 -53.5795 -22.2462 -53.1015 -80.5986 -51.1348 -17.5094 -49.2582 54.1064 TIMING: 4907800 CPU: 14210.6, 0.00289817/step Wall: 14210.6, 0.00289817/step, 0.0742253 hours remaining, 213.250000 MB of memory in use. ENERGY: 4907800 735.5606 2108.5916 1957.1245 113.7749 -206025.6180 17760.9712 0.0000 0.0000 34332.9853 -149016.6098 299.8385 -183349.5951 -148923.8145 299.0495 32.8184 63.7164 557844.1644 -12.7906 -12.7208 PRESSURE: 4908000 14.1812 -32.7864 70.9191 -32.7837 167.806 -169.486 70.9181 -169.484 9.79765 GPRESSURE: 4908000 90.1096 62.7938 53.3888 -60.83 141.827 -187.184 40.0301 -129.524 57.1781 PRESSAVG: 4908000 -56.9496 7.29276 -52.0545 7.29275 12.7246 -0.570225 -52.0545 -0.570242 32.8439 GPRESSAVG: 4908000 -56.8077 7.87696 -47.4288 7.02365 13.1301 -0.392812 -53.5253 -0.782826 32.5176 TIMING: 4908000 CPU: 14211.2, 0.00291476/step Wall: 14211.2, 0.00291476/step, 0.0744884 hours remaining, 213.250000 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: 4908000 767.7134 2135.9238 1981.0415 126.8046 -206416.5322 17959.4686 0.0000 0.0000 34427.1911 -149018.3891 300.6612 -183445.5802 -148922.9546 299.4623 63.9284 96.3715 556334.2495 -3.7937 -3.7200 PRESSURE: 4908200 -68.9953 -27.712 -75.4725 -27.7124 32.6073 221.593 -75.4724 221.592 194.84 GPRESSURE: 4908200 -45.2335 -98.9843 -185.508 -10.3211 43.3472 219.206 37.5034 267.262 255.359 PRESSAVG: 4908200 -16.9947 -14.8051 -16.3295 -14.8051 -92.4988 -67.7848 -16.3295 -67.7847 102.747 GPRESSAVG: 4908200 -16.3627 -15.5362 -19.5939 -15.7058 -93.7322 -67.0875 -14.8566 -68.1214 103.56 TIMING: 4908200 CPU: 14211.8, 0.00295268/step Wall: 14211.8, 0.00295268/step, 0.0752933 hours remaining, 213.250000 MB of memory in use. ENERGY: 4908200 730.3319 2114.3047 1943.8596 120.4368 -205917.3511 17570.7052 0.0000 0.0000 34518.1323 -148919.5806 301.4554 -183437.7129 -148825.9701 299.7205 52.8173 84.4909 555739.5669 -2.2488 -2.1784 LDB: ============= START OF LOAD BALANCING ============== 14215.2 LDB: ============== END OF LOAD BALANCING =============== 14215.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14215.2 LDB: ============= START OF LOAD BALANCING ============== 14215.5 LDB: Largest compute 4772 load 0.026866 is 22.8% of average load 0.118082 LDB: Average compute 0.001715 is 1.5% of average load 0.118082 LDB: TIME 14215.5 LOAD: AVG 0.118082 MAX 0.17842 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.27 MB LDB: TIME 14215.5 LOAD: AVG 0.118082 MAX 0.17842 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.473 MB LDB: TIME 14215.5 LOAD: AVG 0.118082 MAX 0.17842 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14215.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14215.5 PRESSURE: 4908400 -47.2245 25.5523 16.6229 25.5538 -143.343 18.455 16.6228 18.453 156.293 GPRESSURE: 4908400 -54.3163 92.065 -51.4527 46.1087 -138.534 -23.1938 11.397 -14.0346 251.23 PRESSAVG: 4908400 10.0042 -12.694 -13.4379 -12.694 -45.171 23.4429 -13.4378 23.4429 25.6663 GPRESSAVG: 4908400 9.64891 -13.5044 -10.59 -9.63429 -45.8121 22.2099 -14.9114 23.2984 26.0921 TIMING: 4908400 CPU: 14212.4, 0.00298242/step Wall: 14212.4, 0.00298242/step, 0.0758861 hours remaining, 210.859375 MB of memory in use. ENERGY: 4908400 759.2318 2112.0894 1957.9750 117.1623 -205740.6287 17618.8987 0.0000 0.0000 34215.7757 -148959.4959 298.8149 -183175.2715 -148861.1126 300.0144 -11.4248 19.4598 557227.7001 -3.1668 -3.3570 PRESSURE: 4908600 -60.6099 95.1393 -38.8983 95.1379 9.46326 85.6499 -38.8979 85.6489 146.97 GPRESSURE: 4908600 -54.4792 115.449 63.2494 74.2823 50.3424 85.6768 2.58256 145.893 200.977 PRESSAVG: 4908600 -19.4032 16.2361 24.6498 16.2361 -32.9892 29.5729 24.6499 29.5729 38.1865 GPRESSAVG: 4908600 -20.6033 16.7879 24.4922 14.7033 -31.8036 29.705 25.2779 30.7456 37.6932 TIMING: 4908600 CPU: 14213, 0.00291318/step Wall: 14213, 0.00291318/step, 0.0739623 hours remaining, 210.859375 MB of memory in use. ENERGY: 4908600 746.6727 2129.9054 1963.5018 112.7083 -206028.6365 17764.9197 0.0000 0.0000 34286.3799 -149024.5486 299.4315 -183310.9285 -148933.2704 300.1279 31.9411 65.6135 557313.8798 -4.7353 -4.9046 PRESSURE: 4908800 -183.643 113.882 74.3374 113.883 -313.094 32.7477 74.338 32.7463 -133.654 GPRESSURE: 4908800 -162.114 185.215 27.6534 79.6359 -294.46 60.3856 121.039 95.6407 -80.9177 PRESSAVG: 4908800 -10.2945 -19.2408 52.651 -19.2408 -4.85058 -15.2595 52.651 -15.2597 26.6446 GPRESSAVG: 4908800 -8.91854 -19.1793 48.3154 -18.0533 -5.91639 -13.7526 52.4479 -14.6386 26.2674 TIMING: 4908800 CPU: 14213.6, 0.00292465/step Wall: 14213.6, 0.00292465/step, 0.074091 hours remaining, 210.859375 MB of memory in use. ENERGY: 4908800 774.4658 2102.5577 1943.9784 113.1516 -205880.5930 17430.8199 0.0000 0.0000 34406.3922 -149109.2274 300.4796 -183515.6196 -149013.7318 300.0317 -210.1302 -179.1640 557213.6288 3.8332 3.8108 PRESSURE: 4909000 -130.453 -59.7569 -50.2583 -59.7573 -38.2159 218.428 -50.259 218.428 -47.011 GPRESSURE: 4909000 -101.92 39.6429 -158.61 -197.037 35.9927 194.639 30.9319 193.479 -36.2553 PRESSAVG: 4909000 -8.46336 -56.7211 40.5347 -56.7211 -21.5442 8.7645 40.5347 8.76435 11.4452 GPRESSAVG: 4909000 -8.44033 -57.2566 45.4446 -58.5899 -22.3228 6.31812 38.5781 7.73106 11.9654 TIMING: 4909000 CPU: 14214.1, 0.00292877/step Wall: 14214.1, 0.00292877/step, 0.0740329 hours remaining, 210.859375 MB of memory in use. ENERGY: 4909000 774.8198 2115.5787 1926.6733 122.8990 -206127.3786 17726.3478 0.0000 0.0000 34428.4159 -149032.6441 300.6719 -183461.0600 -148935.1369 300.6248 -71.8934 -34.0607 558203.2825 -6.1874 -6.2659 PRESSURE: 4909200 12.4973 -150.286 -163.387 -150.285 16.4983 214.476 -163.386 214.477 23.6708 GPRESSURE: 4909200 -10.8418 -140.877 -177.542 -80.1274 130.167 131.004 -111.66 251.01 30.4159 PRESSAVG: 4909200 -36.3452 -60.7517 15.9291 -60.7517 26.119 -37.5582 15.9292 -37.5583 52.4148 GPRESSAVG: 4909200 -36.4934 -61.0854 13.9744 -61.7801 26.5374 -36.6376 17.9332 -37.037 51.9058 TIMING: 4909200 CPU: 14214.7, 0.00293663/step Wall: 14214.7, 0.00293663/step, 0.0740683 hours remaining, 210.859375 MB of memory in use. ENERGY: 4909200 759.2236 2036.7644 1942.8957 122.4235 -206417.6713 18025.7401 0.0000 0.0000 34483.9319 -149046.6922 301.1568 -183530.6241 -148957.1323 300.4103 17.5555 49.9137 557722.1271 14.0629 13.9833 PRESSURE: 4909400 -141.03 -77.2763 42.2437 -77.2759 86.7296 64.6002 42.2445 64.6006 290.449 GPRESSURE: 4909400 -109.646 -81.7279 -37.0596 -47.5004 66.9112 56.908 38.2174 100.549 366.35 PRESSAVG: 4909400 -40.2305 -53.2626 -19.2013 -53.2626 58.6301 29.4021 -19.2013 29.4021 -10.1955 GPRESSAVG: 4909400 -39.6689 -51.7576 -19.6236 -53.8485 59.0326 29.4175 -18.2509 27.1544 -10.6007 TIMING: 4909400 CPU: 14215.3, 0.00291566/step Wall: 14215.3, 0.00291566/step, 0.0733774 hours remaining, 210.859375 MB of memory in use. ENERGY: 4909400 743.7837 2031.9238 1948.7028 112.5981 -206050.5983 17875.8123 0.0000 0.0000 34303.8156 -149033.9621 299.5838 -183337.7777 -148943.1697 299.9029 78.7163 107.8717 558418.2310 2.7347 2.9210 PRESSURE: 4909600 -57.9394 43.9711 169.955 43.971 17.1005 -198.764 169.957 -198.763 -140.872 GPRESSURE: 4909600 -53.158 118.38 190.259 32.6917 71.9281 -114.788 104.508 -186.76 -92.5627 PRESSAVG: 4909600 -43.9593 15.6829 -2.62179 15.683 33.9151 38.5583 -2.62189 38.5582 29.7682 GPRESSAVG: 4909600 -45.3503 14.5038 -2.20084 18.0413 34.9832 39.4496 -4.76838 40.1399 30.8275 TIMING: 4909600 CPU: 14215.9, 0.00290533/step Wall: 14215.9, 0.00290533/step, 0.0729562 hours remaining, 210.859375 MB of memory in use. ENERGY: 4909600 724.1785 2109.6709 1938.6204 131.7291 -206207.3825 17769.0361 0.0000 0.0000 34519.4122 -149014.7352 301.4666 -183534.1473 -148924.2204 300.3020 -60.5703 -24.5975 556386.5961 6.5746 6.8201 PRESSURE: 4909800 229.929 84.3994 37.2196 84.4 379.168 -121.526 37.2199 -121.527 61.9872 GPRESSURE: 4909800 232.675 71.6326 72.5032 30.9306 428.518 -139.812 16.768 -226.434 110.785 PRESSAVG: 4909800 15.4914 52.0547 26.9749 52.0547 -62.4511 -41.0881 26.9749 -41.0883 3.42855 GPRESSAVG: 4909800 15.4831 51.3754 27.7115 52.0215 -63.0672 -40.7929 27.4365 -42.1935 3.91873 TIMING: 4909800 CPU: 14216.5, 0.00290475/step Wall: 14216.5, 0.00290475/step, 0.0727802 hours remaining, 210.859375 MB of memory in use. ENERGY: 4909800 758.4780 2046.6796 1977.6540 118.3411 -206665.5944 18261.6760 0.0000 0.0000 34459.0164 -149043.7491 300.9392 -183502.7655 -148956.4487 299.9278 223.6946 257.3260 556605.9846 -14.5104 -14.5551 PRESSURE: 4910000 29.4187 -18.8715 13.4976 -18.8721 196.001 -1.64979 13.4974 -1.64891 -8.81065 GPRESSURE: 4910000 74.8682 -102.902 -4.54238 11.1275 173.42 -79.5396 -7.36499 0.815795 73.8745 PRESSAVG: 4910000 -11.5585 53.0258 58.635 53.0258 -18.2453 17.1922 58.635 17.1922 67.6275 GPRESSAVG: 4910000 -11.2088 53.3423 58.0313 50.6814 -18.1457 13.8248 57.1905 20.4659 66.9793 TIMING: 4910000 CPU: 14217.1, 0.00292109/step Wall: 14217.1, 0.00292109/step, 0.0730272 hours remaining, 210.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4910000 743.6612 2083.5710 1952.4876 113.5791 -206670.3535 18135.7894 0.0000 0.0000 34487.6479 -149153.6173 301.1892 -183641.2652 -149060.5614 299.6560 72.2031 107.3874 557614.1811 12.6079 12.5416 PRESSURE: 4910200 -310.731 73.8532 147.259 73.853 55.8539 -44.0832 147.258 -44.0846 33.3953 GPRESSURE: 4910200 -301.061 123.21 147.526 63.1387 89.7145 -7.09424 192.099 -48.5767 96.5812 PRESSAVG: 4910200 -19.6771 4.11384 18.0318 4.11374 -12.0988 9.20272 18.0318 9.20283 72.9117 GPRESSAVG: 4910200 -19.9186 3.60668 18.5377 7.21615 -11.8766 12.3512 20.2677 6.53313 72.7522 TIMING: 4910200 CPU: 14217.6, 0.00294253/step Wall: 14217.6, 0.00294253/step, 0.0733998 hours remaining, 210.859375 MB of memory in use. ENERGY: 4910200 747.2964 2123.0225 1949.5310 99.6613 -206578.8673 17981.9411 0.0000 0.0000 34355.6535 -149321.7615 300.0365 -183677.4150 -149228.0498 299.6681 -73.8273 -38.2552 559434.5665 13.7119 13.6523 PRESSURE: 4910400 124.262 -202.545 80.1501 -202.545 -141.011 -178.845 80.1501 -178.846 91.6529 GPRESSURE: 4910400 184.167 -231.448 54.6412 -81.4993 -126.408 -189.916 142.503 -99.7108 103.773 PRESSAVG: 4910400 -1.63665 24.7651 59.5704 24.7651 -86.6471 -20.0583 59.5703 -20.0583 101.11 GPRESSAVG: 4910400 -0.710322 26.908 59.6803 22.3579 -86.4945 -19.4105 59.8509 -19.6513 100.359 TIMING: 4910400 CPU: 14218.2, 0.0029316/step Wall: 14218.2, 0.0029316/step, 0.0729643 hours remaining, 210.859375 MB of memory in use. ENERGY: 4910400 756.1123 2072.6756 1959.6743 114.0291 -206478.6569 18097.5608 0.0000 0.0000 34179.1431 -149299.4618 298.4950 -183478.6048 -149193.2708 299.0552 24.9680 53.8441 558847.9681 4.2755 4.3847 PRESSURE: 4910600 -195.704 46.1698 -30.4435 46.1698 -108.396 -151.308 -30.4426 -151.307 141.535 GPRESSURE: 4910600 -166.721 131.662 6.63023 -31.1103 -66.2725 -39.4182 -35.3369 -196.92 175.419 PRESSAVG: 4910600 -12.7409 -20.538 27.5225 -20.538 -36.2039 -40.7267 27.5225 -40.7268 41.747 GPRESSAVG: 4910600 -13.6038 -20.8857 26.8978 -19.0001 -35.8968 -41.1922 29.6228 -40.8663 42.8053 TIMING: 4910600 CPU: 14218.8, 0.00295304/step Wall: 14218.8, 0.00295304/step, 0.0733337 hours remaining, 210.859375 MB of memory in use. ENERGY: 4910600 744.5590 2091.5821 1935.2218 113.1832 -206540.8631 17902.5316 0.0000 0.0000 34494.5828 -149259.2025 301.2498 -183753.7854 -149164.7732 300.0858 -54.1885 -19.1915 557549.7337 -2.3993 -2.2318 PRESSURE: 4910800 -68.4875 -118.569 45.5851 -118.569 -68.0678 -173.662 45.5842 -173.662 -26.6151 GPRESSURE: 4910800 -17.6984 -46.877 17.0264 -137.862 -38.1007 -127.663 73.5132 -222.267 5.94019 PRESSAVG: 4910800 -2.95798 -77.0422 21.6893 -77.0422 15.395 -78.8319 21.6893 -78.8319 3.14161 GPRESSAVG: 4910800 -0.710846 -76.6693 23.112 -80.1381 14.3956 -78.8365 19.4222 -78.69 1.90099 TIMING: 4910800 CPU: 14219.4, 0.0029712/step Wall: 14219.4, 0.0029712/step, 0.0736196 hours remaining, 210.859375 MB of memory in use. ENERGY: 4910800 741.4756 2061.3926 1926.9723 108.1743 -206343.6042 17793.4951 0.0000 0.0000 34466.5824 -149245.5119 301.0052 -183712.0943 -149146.5083 299.4513 -54.3902 -16.6197 557712.4597 5.1929 5.1952 PRESSURE: 4911000 -134.879 107.521 -115.607 107.522 -188.669 127.439 -115.606 127.438 -6.05161 GPRESSURE: 4911000 -134.458 146.193 -82.0007 50.5223 -96.9641 135.29 -65.2966 158.486 6.96217 PRESSAVG: 4911000 -1.4872 8.41454 7.20434 8.4145 -29.6976 -34.516 7.20447 -34.516 29.6579 GPRESSAVG: 4911000 -3.2833 8.78358 5.78512 9.03511 -29.3333 -33.8307 8.41964 -36.1178 30.595 TIMING: 4911000 CPU: 14220, 0.00290258/step Wall: 14220, 0.00290258/step, 0.0717581 hours remaining, 210.859375 MB of memory in use. ENERGY: 4911000 753.4738 2061.2159 1933.2625 82.9290 -206249.9674 17789.1922 0.0000 0.0000 34324.8716 -149305.0223 299.7676 -183629.8939 -149197.8310 298.8271 -109.8664 -74.8198 559113.1103 -0.5090 -0.6739 PRESSURE: 4911200 59.1938 198.539 40.9141 198.54 -4.48612 -189.687 40.9147 -189.687 -298.485 GPRESSURE: 4911200 91.9988 200.292 -5.82183 221.727 -11.1326 -182.973 82.8767 -161.504 -235.654 PRESSAVG: 4911200 33.2498 -66.1982 14.1709 -66.1982 -29.4043 10.2369 14.1709 10.2371 -16.1405 GPRESSAVG: 4911200 32.7995 -65.7512 13.8232 -66.868 -29.5396 9.78517 13.7534 10.5296 -15.5291 TIMING: 4911200 CPU: 14220.6, 0.0029028/step Wall: 14220.6, 0.0029028/step, 0.0716025 hours remaining, 210.859375 MB of memory in use. ENERGY: 4911200 774.3066 2113.2128 1943.5487 126.2785 -205622.5090 17502.2072 0.0000 0.0000 34039.1477 -149123.8076 297.2723 -183162.9552 -149036.4508 299.2714 -81.2591 -51.5959 557512.8009 -4.0983 -4.0897 PRESSURE: 4911400 -13.0804 -90.1497 78.6534 -90.1504 -47.0986 40.1494 78.6531 40.1495 54.6426 GPRESSURE: 4911400 9.58866 -102.85 74.9135 -54.6415 -5.98395 62.7923 126.69 56.3819 99.4259 PRESSAVG: 4911400 59.7266 45.2545 14.7571 45.2544 -59.7331 -47.1175 14.757 -47.1175 0.427542 GPRESSAVG: 4911400 60.1406 42.9288 17.4863 48.8554 -60.0606 -47.7434 14.5878 -44.8635 0.640146 TIMING: 4911400 CPU: 14221.2, 0.00289282/step Wall: 14221.2, 0.00289282/step, 0.0711955 hours remaining, 210.859375 MB of memory in use. ENERGY: 4911400 741.7868 2088.0548 1949.7704 116.6333 -206048.7525 17845.0224 0.0000 0.0000 34145.2226 -149162.2623 298.1987 -183307.4849 -149067.6854 298.5348 -1.8455 34.3435 557309.9394 0.1403 0.2400 PRESSURE: 4911600 -109.613 -36.1425 47.3845 -36.1429 -187.055 81.9051 47.3842 81.9038 -227.727 GPRESSURE: 4911600 -39.0506 -30.4026 47.3999 -57.1172 -176.694 118.788 69.8118 57.7913 -218.861 PRESSAVG: 4911600 36.2834 -46.4223 2.82622 -46.4223 -24.4595 42.522 2.8262 42.522 -25.9475 GPRESSAVG: 4911600 36.4599 -46.614 1.46942 -48.7925 -24.798 43.2978 2.14589 41.8684 -25.6119 TIMING: 4911600 CPU: 14221.7, 0.00290834/step Wall: 14221.7, 0.00290834/step, 0.0714159 hours remaining, 210.859375 MB of memory in use. ENERGY: 4911600 752.3423 2081.3126 1945.1308 105.9780 -206187.2228 17720.8266 0.0000 0.0000 34451.6962 -149129.9363 300.8752 -183581.6326 -149036.6191 299.5883 -174.7985 -144.8685 558809.0860 -4.7079 -4.6500 PRESSURE: 4911800 141.193 -16.2815 1.21882 -16.2818 156.448 -103.497 1.21905 -103.498 46.162 GPRESSURE: 4911800 174.864 112.06 -19.3995 -150.61 183.614 -62.3414 65.8576 -72.0988 80.5383 PRESSAVG: 4911800 25.686 6.21189 19.7564 6.21189 -1.54928 -9.8808 19.7565 -9.8806 -16.389 GPRESSAVG: 4911800 26.06 8.72732 19.2346 6.11029 -0.35794 -10.567 21.581 -8.60616 -17.8222 TIMING: 4911800 CPU: 14222.3, 0.00291177/step Wall: 14222.3, 0.00291177/step, 0.0713384 hours remaining, 210.859375 MB of memory in use. ENERGY: 4911800 698.4914 2061.8976 1934.7710 121.0864 -206339.7357 17833.9010 0.0000 0.0000 34439.5678 -149250.0205 300.7693 -183689.5883 -149147.9296 299.3308 114.6009 146.3387 557272.0573 2.5826 2.6266 PRESSURE: 4912000 68.4559 11.3647 8.64652 11.3647 -109.764 158.995 8.64572 158.995 -74.7855 GPRESSURE: 4912000 82.5088 -34.918 175.494 103.31 -61.6159 159.453 -38.4003 116.223 -40.2133 PRESSAVG: 4912000 74.6454 -4.11188 68.8684 -4.11186 -57.9548 -10.3174 68.8683 -10.3174 -58.6668 GPRESSAVG: 4912000 74.5413 -5.61205 70.0908 -1.03872 -58.5505 -10.8033 67.2925 -10.8318 -57.6191 TIMING: 4912000 CPU: 14222.9, 0.00293837/step Wall: 14222.9, 0.00293837/step, 0.0718268 hours remaining, 210.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4912000 754.5173 2046.4736 1958.2756 111.4450 -205925.7522 17554.7619 0.0000 0.0000 34257.5129 -149242.7658 299.1794 -183500.2787 -149146.2084 298.7327 -38.6979 -6.4401 556767.5427 -13.9921 -13.8761 PRESSURE: 4912200 -108.86 75.0384 -18.7957 75.0379 -141.356 93.8258 -18.7966 93.8249 60.1536 GPRESSURE: 4912200 -38.1985 51.9543 0.388541 31.1855 -142.488 150.393 -63.3133 33.9216 92.3637 PRESSAVG: 4912200 74.705 -46.3472 3.19558 -46.3472 -6.15753 21.2517 3.19567 21.2518 2.59326 GPRESSAVG: 4912200 74.2671 -47.1571 1.12186 -46.2802 -5.91719 21.4123 5.31238 20.5451 2.64764 TIMING: 4912200 CPU: 14223.5, 0.00292287/step Wall: 14223.5, 0.00292287/step, 0.0712856 hours remaining, 210.859375 MB of memory in use. ENERGY: 4912200 771.1602 2095.0980 1896.7263 110.1479 -206014.5762 17754.0143 0.0000 0.0000 34215.1067 -149172.3227 298.8090 -183387.4294 -149081.3011 299.7232 -63.3540 -29.4409 557610.1049 23.7136 23.6659 LDB: ============= START OF LOAD BALANCING ============== 14226.9 LDB: ============== END OF LOAD BALANCING =============== 14226.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14226.9 LDB: ============= START OF LOAD BALANCING ============== 14227.2 LDB: Largest compute 4772 load 0.028232 is 23.9% of average load 0.118066 LDB: Average compute 0.001718 is 1.5% of average load 0.118066 LDB: TIME 14227.2 LOAD: AVG 0.118066 MAX 0.177841 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.652 MB LDB: TIME 14227.2 LOAD: AVG 0.118066 MAX 0.177841 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.652 MB LDB: TIME 14227.2 LOAD: AVG 0.118066 MAX 0.177841 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14227.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14227.2 PRESSURE: 4912400 -129.933 203.392 -95.7708 203.392 -261.482 -268.406 -95.7708 -268.407 -53.7681 GPRESSURE: 4912400 -114.636 172.242 -99.403 102.988 -236.694 -285.336 -128.334 -306.138 -10.7024 PRESSAVG: 4912400 3.1038 10.0435 0.630566 10.0435 41.6769 23.0459 0.630511 23.046 -37.9137 GPRESSAVG: 4912400 3.406 10.6837 2.72936 8.82035 41.9006 24.6483 -0.893304 21.5682 -38.591 TIMING: 4912400 CPU: 14224.1, 0.002965/step Wall: 14224.1, 0.002965/step, 0.0721482 hours remaining, 212.714844 MB of memory in use. ENERGY: 4912400 734.7754 2071.7987 1934.0589 123.3067 -205926.2478 17559.4999 0.0000 0.0000 34274.4193 -149228.3889 299.3270 -183502.8082 -149137.1993 298.9678 -148.3943 -120.6776 558260.4772 2.2890 2.2385 PRESSURE: 4912600 -157.335 178.893 -98.5639 178.893 7.69797 13.9495 -98.5644 13.9502 -178.934 GPRESSURE: 4912600 -167.341 167.368 -117.232 171.641 32.1916 -56.7989 -93.0167 35.0043 -88.5007 PRESSAVG: 4912600 -33.1513 -2.97334 -18.3678 -2.97331 11.7412 -36.0852 -18.3677 -36.0853 21.5895 GPRESSAVG: 4912600 -33.1846 -1.94602 -20.9617 -5.8049 12.8104 -36.6762 -17.744 -34.4035 20.7391 TIMING: 4912600 CPU: 14224.7, 0.00290522/step Wall: 14224.7, 0.00290522/step, 0.0705323 hours remaining, 212.914062 MB of memory in use. ENERGY: 4912600 765.7393 2088.9446 1942.2600 110.8665 -206273.4350 17857.6016 0.0000 0.0000 34347.3623 -149160.6607 299.9641 -183508.0231 -149059.5219 298.8463 -109.5240 -74.5501 559025.8403 0.0598 0.1216 PRESSURE: 4912800 102.663 -11.112 79.3479 -11.1118 27.2812 -191.432 79.3481 -191.432 -310.707 GPRESSURE: 4912800 92.5219 8.24656 63.9142 -62.854 69.8306 -187.456 106.556 -195.535 -246.022 PRESSAVG: 4912800 -37.7753 21.2225 30.9506 21.2225 15.759 -35.1584 30.9507 -35.1584 32.9505 GPRESSAVG: 4912800 -37.9932 21.49 30.5476 21.915 16.2836 -36.4896 29.4531 -32.7304 32.2323 TIMING: 4912800 CPU: 14225.3, 0.00291686/step Wall: 14225.3, 0.00291686/step, 0.0706528 hours remaining, 212.914062 MB of memory in use. ENERGY: 4912800 765.6959 2093.8192 1946.8874 114.5893 -206092.9623 17808.9599 0.0000 0.0000 34214.4132 -149148.5975 298.8030 -183363.0106 -149058.3293 299.7246 -60.2544 -27.8900 556746.3152 3.6447 3.5076 PRESSURE: 4913000 364.515 105.401 83.6936 105.399 16.0219 -12.7797 83.6938 -12.7807 -25.221 GPRESSURE: 4913000 339.67 189.596 41.8538 66.4159 70.4944 41.6751 173.052 -23.6519 45.2533 PRESSAVG: 4913000 -7.93918 46.3006 19.7366 46.3006 -32.7909 -22.6228 19.7367 -22.6229 37.1811 GPRESSAVG: 4913000 -8.80246 45.2479 23.9776 47.3185 -33.8398 -20.9832 20.3226 -24.5564 39.1928 TIMING: 4913000 CPU: 14225.8, 0.00286949/step Wall: 14225.8, 0.00286949/step, 0.069346 hours remaining, 212.914062 MB of memory in use. ENERGY: 4913000 728.8349 2089.7366 1942.1614 111.4353 -206211.8699 17876.1838 0.0000 0.0000 34457.6499 -149005.8682 300.9272 -183463.5180 -148914.1932 299.5128 118.4386 151.8060 557148.5809 -1.1830 -1.1498 PRESSURE: 4913200 -121.223 99.4041 -175.624 99.404 -162.692 48.3839 -175.623 48.3841 221.955 GPRESSURE: 4913200 -108.241 84.665 -202.421 155.085 -61.2785 66.0838 -99.6808 74.0699 212.418 PRESSAVG: 4913200 14.3549 22.2265 22.7984 22.2265 -53.7106 13.6929 22.7986 13.6929 17.0553 GPRESSAVG: 4913200 15.0613 24.6218 20.0811 19.934 -53.7093 13.0174 21.0076 13.4422 16.2923 TIMING: 4913200 CPU: 14226.4, 0.00284182/step Wall: 14226.4, 0.00284182/step, 0.0685193 hours remaining, 212.914062 MB of memory in use. ENERGY: 4913200 769.4716 2090.3633 1941.8109 117.4166 -205904.9829 17691.1778 0.0000 0.0000 34304.1137 -148990.6291 299.5864 -183294.7427 -148896.4187 300.1300 -20.6537 14.2993 557270.6417 -7.4335 -7.4519 PRESSURE: 4913400 -116.197 77.5761 -106.241 77.5771 -59.6109 50.1758 -106.241 50.1759 0.904552 GPRESSURE: 4913400 -86.6759 117.277 -115.313 26.2253 -28.8932 -12.7591 -167.319 82.2269 46.2561 PRESSAVG: 4913400 47.0491 -1.14105 -13.4761 -1.141 -30.0037 31.1116 -13.4761 31.1115 -24.73 GPRESSAVG: 4913400 47.4112 -2.77661 -14.2621 1.55548 -30.4049 29.5413 -11.7853 32.0231 -24.8138 TIMING: 4913400 CPU: 14227, 0.00288932/step Wall: 14227, 0.00288932/step, 0.0695043 hours remaining, 212.914062 MB of memory in use. ENERGY: 4913400 722.7201 2103.2504 1961.8274 102.7484 -205590.6149 17556.9338 0.0000 0.0000 34304.0490 -148839.0858 299.5858 -183143.1348 -148742.7141 299.7952 -58.3013 -23.1043 557559.1870 -2.5615 -2.6025 PRESSURE: 4913600 -143.266 -20.5701 11.1588 -20.57 -301.737 -100.781 11.1585 -100.779 -352.597 GPRESSURE: 4913600 -161.243 36.6029 5.21211 -52.694 -248.488 -71.6821 -23.9036 -204.802 -291.776 PRESSAVG: 4913600 -14.5802 50.013 52.2908 50.0129 -2.01483 -35.7036 52.2908 -35.7036 25.3199 GPRESSAVG: 4913600 -14.7219 51.2256 53.9088 49.5067 -1.61654 -33.2622 51.5116 -37.2681 25.2957 TIMING: 4913600 CPU: 14227.5, 0.00288326/step Wall: 14227.5, 0.00288326/step, 0.0691982 hours remaining, 212.914062 MB of memory in use. ENERGY: 4913600 797.6486 2082.6594 1962.1498 109.9505 -205620.0410 17435.6496 0.0000 0.0000 34410.0149 -148821.9681 300.5112 -183231.9830 -148730.5000 300.1568 -265.8663 -233.8356 557319.1831 2.9083 2.9857 PRESSURE: 4913800 -202.796 54.7548 -183.929 54.7548 47.5229 -105.262 -183.929 -105.261 10.9672 GPRESSURE: 4913800 -195.849 25.7761 -115.296 29.8955 74.3586 -90.4829 -301.094 -141.795 64.59 PRESSAVG: 4913800 -44.1622 -31.57 -21.7749 -31.57 25.0794 -15.0949 -21.7748 -15.0949 56.6634 GPRESSAVG: 4913800 -43.2622 -33.0953 -22.4361 -30.862 24.7931 -16.2549 -21.1542 -15.0472 56.0112 TIMING: 4913800 CPU: 14228.1, 0.00289748/step Wall: 14228.1, 0.00289748/step, 0.0693786 hours remaining, 212.914062 MB of memory in use. ENERGY: 4913800 742.0871 2098.3250 1974.5647 119.0408 -206174.0505 17702.6839 0.0000 0.0000 34550.9845 -148986.3645 301.7423 -183537.3491 -148886.0166 300.2058 -48.1020 -18.9668 557029.5734 12.5269 12.5140 PRESSURE: 4914000 -213.974 -75.8989 120.518 -75.8998 113.809 69.2132 120.518 69.211 -63.125 GPRESSURE: 4914000 -236.659 -41.7065 74.5634 -124.29 230.799 66.3918 95.1835 83.8068 -57.0271 PRESSAVG: 4914000 -4.46447 -8.03873 -18.8692 -8.03867 20.7621 -28.2458 -18.8692 -28.2457 -0.216257 GPRESSAVG: 4914000 -4.87412 -7.85193 -16.4869 -8.0416 19.7359 -28.3404 -18.2353 -26.9867 0.472005 TIMING: 4914000 CPU: 14228.7, 0.00289035/step Wall: 14228.7, 0.00289035/step, 0.0690472 hours remaining, 212.914062 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: 4914000 750.2647 2110.9679 1955.6257 111.3905 -206134.2199 17908.0500 0.0000 0.0000 34186.9846 -149110.9365 298.5634 -183297.9211 -149010.7220 300.4058 -54.4299 -20.9627 556623.6251 5.3605 5.1113 PRESSURE: 4914200 14.0391 73.4111 75.6806 73.4101 161.461 -29.5935 75.6802 -29.5926 -92.5456 GPRESSURE: 4914200 83.5681 129.308 73.9014 40.8297 203.817 -17.1308 25.2478 -53.8355 -93.2087 PRESSAVG: 4914200 -64.2994 23.8099 14.219 23.8101 -5.00277 18.1013 14.219 18.1013 50.0105 GPRESSAVG: 4914200 -63.8266 22.1779 11.8814 25.546 -4.02322 20.2678 13.8692 14.8043 48.4202 TIMING: 4914200 CPU: 14229.3, 0.00289999/step Wall: 14229.3, 0.00289999/step, 0.0691163 hours remaining, 212.914062 MB of memory in use. ENERGY: 4914200 727.4457 2115.0308 1974.1419 120.6467 -206523.8748 18048.1018 0.0000 0.0000 34338.6056 -149199.9023 299.8876 -183538.5079 -149104.5321 299.4707 27.6515 64.7255 557429.4636 -6.4305 -6.4765 PRESSURE: 4914400 -23.2763 -80.577 -114.254 -80.578 218.572 -53.5213 -114.254 -53.5215 92.5839 GPRESSURE: 4914400 24.7685 -156.185 -146.28 -65.6617 239.283 -61.1852 -89.1327 -27.3734 117.075 PRESSAVG: 4914400 5.22426 7.45977 14.5557 7.45975 83.099 5.07752 14.5556 5.07756 -21.0403 GPRESSAVG: 4914400 3.25829 9.86942 14.5243 5.60067 83.6511 3.05586 13.5252 7.56516 -19.957 TIMING: 4914400 CPU: 14229.9, 0.0029101/step Wall: 14229.9, 0.0029101/step, 0.0691957 hours remaining, 212.914062 MB of memory in use. ENERGY: 4914400 722.4201 2032.3827 1960.2356 106.8532 -206488.9053 18041.1368 0.0000 0.0000 34355.8824 -149269.9946 300.0385 -183625.8770 -149169.8196 299.5063 95.9599 127.0424 557173.5809 22.4276 22.3174 PRESSURE: 4914600 -240.086 -135.734 -25.1409 -135.735 -116.708 117.633 -25.1414 117.633 -52.069 GPRESSURE: 4914600 -183.948 -127.117 -61.9015 -112.721 -71.313 107.374 5.44347 91.2896 -71.3346 PRESSAVG: 4914600 55.9675 -22.3841 -46.1138 -22.3843 9.28695 20.2229 -46.1138 20.2229 -51.6878 GPRESSAVG: 4914600 57.5791 -23.8765 -46.0032 -22.3775 8.54101 19.0532 -45.6392 21.6985 -52.0309 TIMING: 4914600 CPU: 14230.4, 0.00287975/step Wall: 14230.4, 0.00287975/step, 0.068314 hours remaining, 212.914062 MB of memory in use. ENERGY: 4914600 728.8109 2028.0452 1930.2808 115.8075 -206186.4068 17672.8231 0.0000 0.0000 34141.1518 -149569.4876 298.1632 -183710.6394 -149476.4605 298.7665 -136.2875 -108.8652 557896.8271 4.5222 4.6964 PRESSURE: 4914800 25.4545 -181.096 109.237 -181.096 -250.902 -12.8208 109.237 -12.8193 -63.3169 GPRESSURE: 4914800 -1.91718 -95.5945 26.2397 -156.998 -204.902 -3.61297 135.652 -3.98914 12.2352 PRESSAVG: 4914800 6.3946 20.3961 -34.1823 20.3961 -36.4126 7.84375 -34.1822 7.84384 17.7526 GPRESSAVG: 4914800 5.64103 21.2829 -34.3222 20.0436 -35.9697 10.1301 -33.7409 7.09026 18.3785 TIMING: 4914800 CPU: 14231, 0.00290115/step Wall: 14231, 0.00290115/step, 0.0686606 hours remaining, 212.914062 MB of memory in use. ENERGY: 4914800 731.6148 2033.2420 1925.0190 106.1830 -206385.6235 17765.9720 0.0000 0.0000 34174.6685 -149648.9241 298.4559 -183823.5926 -149558.8111 298.2513 -96.2546 -64.8614 557456.9601 -4.0885 -3.9834 PRESSURE: 4915000 -174.572 29.5321 36.8156 29.5309 -48.1432 -29.456 36.8167 -29.4565 223.06 GPRESSURE: 4915000 -162.471 64.2065 46.7218 -8.81692 5.1547 -33.3766 6.7773 -114.483 253.776 PRESSAVG: 4915000 -0.394428 -6.68118 34.0997 -6.6813 -29.678 4.08279 34.0995 4.08281 12.1876 GPRESSAVG: 4915000 -0.544579 -8.10248 34.5828 -5.05872 -29.3293 3.26261 33.2821 2.12419 12.0977 TIMING: 4915000 CPU: 14231.6, 0.00290629/step Wall: 14231.6, 0.00290629/step, 0.0686207 hours remaining, 212.914062 MB of memory in use. ENERGY: 4915000 737.0229 2092.9597 1943.4509 118.2974 -206515.4948 17879.1188 0.0000 0.0000 34200.0434 -149544.6017 298.6775 -183744.6451 -149450.8419 298.6025 0.1148 32.1532 556821.2423 -5.9616 -5.9254 PRESSURE: 4915200 -87.2473 41.016 32.367 41.0159 -91.7244 175.603 32.3674 175.603 203.558 GPRESSURE: 4915200 -125.898 63.9974 76.7128 22.2657 -45.2571 92.3812 16.228 158.071 292.708 PRESSAVG: 4915200 -29.9711 -1.38624 -4.42646 -1.38621 19.8173 -10.168 -4.42646 -10.168 42.2888 GPRESSAVG: 4915200 -29.7008 -1.07209 -5.31834 0.301271 19.0814 -8.60239 -3.70764 -10.4854 42.8163 TIMING: 4915200 CPU: 14232.2, 0.00290397/step Wall: 14232.2, 0.00290397/step, 0.0684046 hours remaining, 212.914062 MB of memory in use. ENERGY: 4915200 750.3639 2117.2139 1951.6787 127.8504 -206559.2473 17927.2734 0.0000 0.0000 34071.4092 -149613.4578 297.5541 -183684.8670 -149517.9985 298.2940 8.1953 40.5176 558521.5643 10.7117 10.7323 PRESSURE: 4915400 -271.604 -87.8022 30.715 -87.8024 -252.895 65.223 30.7146 65.2237 38.1586 GPRESSURE: 4915400 -207.362 -101.731 -35.9338 -85.1527 -209.485 43.1549 20.5888 37.9261 28.0949 PRESSAVG: 4915400 18.7755 -5.45482 12.4689 -5.45482 -5.86445 22.1098 12.4689 22.1099 -12.6409 GPRESSAVG: 4915400 19.5261 -3.40852 12.0061 -9.05031 -7.06258 19.7987 11.31 23.3922 -12.1942 TIMING: 4915400 CPU: 14232.8, 0.00291909/step Wall: 14232.8, 0.00291909/step, 0.0685987 hours remaining, 212.914062 MB of memory in use. ENERGY: 4915400 789.8073 2099.6553 1915.1307 131.0305 -206354.1636 17739.5510 0.0000 0.0000 34022.4771 -149656.5117 297.1268 -183678.9888 -149565.9856 298.0746 -162.1136 -129.5842 559373.2492 0.0900 0.0898 PRESSURE: 4915600 93.1629 94.5843 110.524 94.5835 272.043 50.4681 110.523 50.4675 -45.2747 GPRESSURE: 4915600 129.842 81.5918 124.353 76.4901 242.349 24.5496 85.2731 76.0941 44.748 PRESSAVG: 4915600 -32.9116 3.57273 34.6937 3.57271 -19.7609 -16.6825 34.6936 -16.6826 43.0071 GPRESSAVG: 4915600 -32.9855 2.61651 35.487 3.88946 -18.3152 -15.3902 34.8585 -15.7956 40.7977 TIMING: 4915600 CPU: 14233.4, 0.0029128/step Wall: 14233.4, 0.0029128/step, 0.0682891 hours remaining, 212.914062 MB of memory in use. ENERGY: 4915600 683.8098 2050.3169 1956.1136 114.6601 -206718.6168 17945.2462 0.0000 0.0000 34229.5446 -149738.9256 298.9351 -183968.4702 -149645.3021 298.5120 106.6436 138.9797 556621.8085 -3.2218 -3.5010 PRESSURE: 4915800 -149.962 35.4987 41.166 35.4985 -57.258 8.19202 41.1662 8.19287 -160.411 GPRESSURE: 4915800 -89.4458 -16.961 41.6344 48.8849 -35.8263 -4.37687 -46.6336 50.3905 -146.51 PRESSAVG: 4915800 19.2955 -10.3382 28.7041 -10.3382 -1.14359 61.5291 28.7041 61.5291 3.0429 GPRESSAVG: 4915800 19.8211 -12.183 28.7694 -7.74785 -2.1755 61.2716 29.1359 61.968 3.6257 TIMING: 4915800 CPU: 14233.9, 0.00288545/step Wall: 14233.9, 0.00288545/step, 0.0674875 hours remaining, 212.914062 MB of memory in use. ENERGY: 4915800 741.4434 2075.6547 1977.1745 108.1985 -206283.1909 17646.7687 0.0000 0.0000 34137.7831 -149596.1679 298.1338 -183733.9510 -149498.5287 298.2777 -122.5438 -90.5940 557341.2086 7.0649 7.0904 PRESSURE: 4916000 -73.7749 36.7934 131.034 36.7932 -87.2621 -90.1369 131.034 -90.1365 -382.837 GPRESSURE: 4916000 -41.773 86.3758 177.513 112.071 -62.0424 -92.2182 119.613 -57.1542 -334.568 PRESSAVG: 4916000 -54.19 12.3559 37.8253 12.3559 107.346 54.6618 37.8252 54.6617 -54.0853 GPRESSAVG: 4916000 -55.6936 14.4773 35.6284 10.3899 108.629 53.1579 38.3814 53.1268 -53.4938 TIMING: 4916000 CPU: 14234.5, 0.00288579/step Wall: 14234.5, 0.00288579/step, 0.0673352 hours remaining, 212.914062 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: 4916000 725.2867 2105.5174 1951.7757 110.7868 -206200.6638 17623.0194 0.0000 0.0000 34148.1588 -149536.1190 298.2244 -183684.2778 -149437.7018 298.3877 -181.2915 -146.1280 558346.6484 -0.3097 -0.1862 PRESSURE: 4916200 193.286 108.648 46.0341 108.65 80.9118 -136.336 46.0347 -136.336 62.1999 GPRESSURE: 4916200 154.815 27.3638 -8.01652 105.571 122.038 -81.8158 46.5665 -211.618 147.442 PRESSAVG: 4916200 -29.0577 5.14183 23.0304 5.14178 21.8691 -28.8965 23.0305 -28.8964 -19.4608 GPRESSAVG: 4916200 -28.7255 4.78086 24.9272 5.3281 21.1811 -26.9269 21.9952 -29.3402 -19.3811 TIMING: 4916200 CPU: 14235.1, 0.0028886/step Wall: 14235.1, 0.0028886/step, 0.0672401 hours remaining, 212.914062 MB of memory in use. ENERGY: 4916200 765.9140 2071.8156 1950.4186 111.1351 -206640.4828 18143.0657 0.0000 0.0000 34097.5340 -149500.5999 297.7822 -183598.1338 -149420.4318 298.7078 112.1326 141.4316 558838.4587 -8.8831 -8.9752 LDB: ============= START OF LOAD BALANCING ============== 14238.5 LDB: ============== END OF LOAD BALANCING =============== 14238.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14238.5 LDB: ============= START OF LOAD BALANCING ============== 14238.8 LDB: Largest compute 4772 load 0.027039 is 22.9% of average load 0.118067 LDB: Average compute 0.001720 is 1.5% of average load 0.118067 LDB: TIME 14238.8 LOAD: AVG 0.118067 MAX 0.179321 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.344 MB LDB: TIME 14238.8 LOAD: AVG 0.118067 MAX 0.179321 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.348 MB LDB: TIME 14238.8 LOAD: AVG 0.118067 MAX 0.179321 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14238.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14238.8 PRESSURE: 4916400 124.179 9.05018 29.9052 9.05059 224.853 -190.929 29.9045 -190.929 75.0401 GPRESSURE: 4916400 96.2817 71.1992 33.3767 -33.8352 243.813 -258.22 50.1792 -139.189 180.567 PRESSAVG: 4916400 50.9079 46.5619 10.7355 46.5619 57.8775 -51.5459 10.7355 -51.546 -45.8912 GPRESSAVG: 4916400 50.4214 48.2241 10.4741 44.6829 57.8668 -53.0606 10.5985 -50.3384 -45.5441 TIMING: 4916400 CPU: 14235.7, 0.00293058/step Wall: 14235.7, 0.00293058/step, 0.0680546 hours remaining, 211.511719 MB of memory in use. ENERGY: 4916400 718.1913 2090.7730 1951.3613 108.4592 -206721.7141 18043.9600 0.0000 0.0000 34247.1505 -149561.8189 299.0889 -183808.9694 -149464.6867 298.0459 141.3572 173.5538 556859.3466 20.9647 20.9147 PRESSURE: 4916600 82.1414 -16.0661 82.8282 -16.0668 241.162 -39.0642 82.8278 -39.0638 148.131 GPRESSURE: 4916600 77.4935 -47.3149 16.3322 -12.9504 307.678 -4.52366 144.256 -83.7804 193.818 PRESSAVG: 4916600 -10.0691 -56.761 10.5373 -56.7612 37.155 12.8524 10.5374 12.8525 -54.5829 GPRESSAVG: 4916600 -8.85938 -59.3338 10.3791 -55.0737 36.75 12.9879 11.3074 14.3246 -55.5223 TIMING: 4916600 CPU: 14236.2, 0.00289004/step Wall: 14236.2, 0.00289004/step, 0.0669525 hours remaining, 211.511719 MB of memory in use. ENERGY: 4916600 688.4968 2112.6357 1942.5016 107.7933 -206536.4237 17966.7599 0.0000 0.0000 34265.4666 -149452.7699 299.2488 -183718.2364 -149350.0769 298.5503 157.1448 192.9966 558151.4112 -9.1657 -9.2106 PRESSURE: 4916800 -101.341 -30.8331 -14.8993 -30.8328 -29.3613 -156.778 -14.8994 -156.779 -325.632 GPRESSURE: 4916800 -78.1353 -69.7487 -3.9246 -42.798 -68.8073 -123.159 -31.5787 -137.234 -206.239 PRESSAVG: 4916800 27.1872 -8.28738 42.5523 -8.28741 -26.1454 25.2243 42.5522 25.2243 -41.7388 GPRESSAVG: 4916800 26.4512 -6.57825 41.8675 -8.81378 -26.1994 24.9368 42.1185 24.0216 -40.8674 TIMING: 4916800 CPU: 14236.8, 0.00291875/step Wall: 14236.8, 0.00291875/step, 0.0674555 hours remaining, 211.511719 MB of memory in use. ENERGY: 4916800 780.0649 2062.2691 1949.7053 99.8944 -206746.5957 17983.6122 0.0000 0.0000 34526.8679 -149344.1818 301.5317 -183871.0497 -149247.0739 298.9829 -152.1113 -117.7271 559631.4825 -13.5657 -13.5385 PRESSURE: 4917000 -211.932 95.9993 -127.315 95.999 114.587 -87.6551 -127.315 -87.653 25.7259 GPRESSURE: 4917000 -144.81 29.5276 -156.855 113.867 164.773 -118.998 -33.2274 -87.8841 -0.184588 PRESSAVG: 4917000 4.17054 25.0541 0.650739 25.0541 14.8632 24.7432 0.650773 24.7431 -3.23187 GPRESSAVG: 4917000 5.04245 22.844 -0.366595 27.2635 14.833 25.5792 1.28107 23.3103 -4.07992 TIMING: 4917000 CPU: 14237.4, 0.00291362/step Wall: 14237.4, 0.00291362/step, 0.0671751 hours remaining, 211.511719 MB of memory in use. ENERGY: 4917000 741.8234 2081.7322 1977.1172 120.9956 -206392.3753 17959.8599 0.0000 0.0000 34183.6534 -149327.1936 298.5343 -183510.8470 -149227.7992 298.8605 -23.8730 6.5927 559340.2902 5.2673 5.2652 PRESSURE: 4917200 -249.855 94.6563 116.507 94.6576 -13.8868 -211.409 116.508 -211.409 -131.701 GPRESSURE: 4917200 -239.474 65.7958 43.3756 65.2114 21.4211 -246.261 103.459 -148.94 -75.7753 PRESSAVG: 4917200 -22.082 0.451833 -28.744 0.451817 43.6462 -14.7011 -28.744 -14.7011 -3.14182 GPRESSAVG: 4917200 -22.7096 2.36916 -26.6242 -2.15606 43.4133 -13.9773 -30.8859 -12.8661 -2.1755 TIMING: 4917200 CPU: 14238, 0.00292398/step Wall: 14238, 0.00292398/step, 0.0672515 hours remaining, 211.511719 MB of memory in use. ENERGY: 4917200 744.9083 2056.2829 1969.7072 119.4543 -206009.9400 17614.9859 0.0000 0.0000 34236.7469 -149267.8545 298.9980 -183504.6014 -149169.5081 298.9358 -131.8141 -97.9428 560186.1939 6.1408 6.1761 PRESSURE: 4917400 151.675 -185.291 50.3739 -185.291 38.8765 209.575 50.3752 209.574 -104.078 GPRESSURE: 4917400 202.275 -164.688 75.3853 -225.828 64.2073 271.642 76.822 77.4267 -81.5665 PRESSAVG: 4917400 69.4334 -28.4366 -13.9465 -28.4366 -17.3893 -17.9996 -13.9465 -17.9996 18.4452 GPRESSAVG: 4917400 68.6406 -29.1389 -14.7891 -27.0257 -17.0655 -18.2241 -13.7991 -19.6983 18.5081 TIMING: 4917400 CPU: 14238.6, 0.00292336/step Wall: 14238.6, 0.00292336/step, 0.0670749 hours remaining, 211.511719 MB of memory in use. ENERGY: 4917400 743.2904 2086.0954 1944.4258 118.6297 -206276.9224 17829.9703 0.0000 0.0000 34227.4786 -149327.0321 298.9171 -183554.5107 -149229.7820 299.0053 28.8245 61.6386 558446.4390 23.4964 23.3611 PRESSURE: 4917600 113.836 69.7004 165.106 69.7004 2.21359 -186.758 165.104 -186.755 -176.128 GPRESSURE: 4917600 164.653 2.06564 117.925 67.7117 -9.62495 -22.5786 183.576 -212.386 -114.263 PRESSAVG: 4917600 29.4568 -18.3531 9.26854 -18.353 -13.0004 37.1141 9.26848 37.1142 27.5551 GPRESSAVG: 4917600 31.0164 -18.4747 8.60901 -17.3988 -13.1453 36.3919 9.49919 37.7228 26.1322 TIMING: 4917600 CPU: 14239.2, 0.00293499/step Wall: 14239.2, 0.002935/step, 0.0671788 hours remaining, 211.511719 MB of memory in use. ENERGY: 4917600 786.1147 2062.9146 1936.3605 112.2971 -206395.3077 18027.2545 0.0000 0.0000 34264.2877 -149206.0786 299.2385 -183470.3663 -149109.5664 298.7511 -20.0261 13.5884 559915.6826 14.6705 14.6678 PRESSURE: 4917800 -70.1513 27.3761 -54.8489 27.3756 -289.676 -98.255 -54.849 -98.2547 -265.582 GPRESSURE: 4917800 -37.26 44.8982 6.83493 47.8077 -268.489 -179.194 19.8332 -59.2557 -219.96 PRESSAVG: 4917800 -30.1419 20.0583 -21.3574 20.0583 31.3447 -18.7848 -21.3575 -18.7846 -9.68611 GPRESSAVG: 4917800 -29.5941 18.4971 -18.3026 19.9145 30.5276 -19.0286 -20.5657 -18.7903 -9.15332 TIMING: 4917800 CPU: 14239.8, 0.00289596/step Wall: 14239.8, 0.00289596/step, 0.0661245 hours remaining, 211.511719 MB of memory in use. ENERGY: 4917800 757.1016 2098.6219 1962.7738 109.5378 -206226.3588 17786.0184 0.0000 0.0000 34306.0620 -149206.2433 299.6034 -183512.3053 -149103.6481 298.4177 -208.4700 -175.2363 559973.2325 -2.8278 -2.7400 PRESSURE: 4918000 152.508 61.9932 47.0098 61.9938 202.406 -2.35443 47.0105 -2.35433 101.362 GPRESSURE: 4918000 214.382 85.2295 68.3357 5.944 171.009 -12.5998 74.1391 -46.8977 180.799 PRESSAVG: 4918000 -36.9211 57.357 -71.3489 57.357 -41.8626 -25.4425 -71.3489 -25.4423 84.3956 GPRESSAVG: 4918000 -38.4153 58.193 -74.1745 58.2401 -41.4463 -24.8825 -71.1058 -26.2364 85.2077 TIMING: 4918000 CPU: 14240.3, 0.00288326/step Wall: 14240.3, 0.00288326/step, 0.0656743 hours remaining, 211.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4918000 739.2272 2077.8568 1928.9351 112.6301 -206470.8235 18028.3895 0.0000 0.0000 34298.2515 -149285.5333 299.5352 -183583.7848 -149200.8197 298.9300 152.0920 188.7297 557162.1305 1.8706 1.7820 PRESSURE: 4918200 154.908 70.934 39.4221 70.9344 244.505 -95.587 39.4216 -95.5856 -100.327 GPRESSURE: 4918200 133.076 40.1515 14.3313 57.8523 312.181 -91.8176 81.5124 -146.924 -58.6711 PRESSAVG: 4918200 -19.4095 -8.49863 -12.7405 -8.49858 -39.3132 9.21942 -12.7405 9.2194 42.6136 GPRESSAVG: 4918200 -18.8461 -8.5714 -11.48 -7.91198 -39.4852 9.58161 -13.5037 10.701 42.3547 TIMING: 4918200 CPU: 14240.9, 0.00288917/step Wall: 14240.9, 0.00288917/step, 0.0656484 hours remaining, 211.511719 MB of memory in use. ENERGY: 4918200 774.8667 2083.6324 1945.2609 102.4074 -206508.8743 18126.1095 0.0000 0.0000 34091.0333 -149385.5643 297.7255 -183476.5976 -149285.6847 298.9164 99.6955 128.8621 557027.2883 -5.3697 -5.3255 PRESSURE: 4918400 -91.642 4.83956 -124.132 4.83928 243.629 135.92 -124.131 135.919 -127.971 GPRESSURE: 4918400 -73.6955 -19.3804 -146.472 50.9219 266.352 91.7164 -82.5777 172.146 -64.1179 PRESSAVG: 4918400 -16.4463 44.0898 50.362 44.0898 22.8103 37.1223 50.3621 37.1223 -1.57867 GPRESSAVG: 4918400 -16.249 45.5155 48.7837 41.386 23.1423 36.5754 52.784 34.4354 -2.14364 TIMING: 4918400 CPU: 14241.5, 0.00288374/step Wall: 14241.5, 0.00288374/step, 0.0653649 hours remaining, 211.511719 MB of memory in use. ENERGY: 4918400 768.7788 2093.4340 1926.3545 122.4078 -206277.9380 17814.6528 0.0000 0.0000 34100.8814 -149451.4288 297.8115 -183552.3102 -149356.3037 298.4337 8.0054 42.8463 558146.4813 1.5951 1.5832 PRESSURE: 4918600 -277.366 -24.5441 106.16 -24.5436 92.0579 101.828 106.159 101.828 3.58138 GPRESSURE: 4918600 -231.477 -24.3509 142.707 68.1705 127.014 125.375 38.6969 142.565 31.0529 PRESSAVG: 4918600 -18.4548 29.3385 -9.43635 29.3386 -5.21507 30.2029 -9.43633 30.2029 28.5879 GPRESSAVG: 4918600 -18.2645 27.0969 -9.50399 30.9636 -6.33702 30.3931 -10.6879 32.6629 29.7407 TIMING: 4918600 CPU: 14242.1, 0.00290091/step Wall: 14242.1, 0.00290091/step, 0.0655928 hours remaining, 211.511719 MB of memory in use. ENERGY: 4918600 744.3367 2049.8718 1965.7120 118.2046 -206188.2350 17784.5687 0.0000 0.0000 34225.1225 -149300.4185 298.8965 -183525.5410 -149201.2634 298.9109 -60.5755 -24.4702 557143.4383 1.6393 1.7131 PRESSURE: 4918800 -132.443 51.1525 -32.6117 51.1534 -25.6991 -9.01172 -32.611 -9.01079 -35.4271 GPRESSURE: 4918800 -158.45 60.7841 -34.0438 41.6043 18.3884 33.4174 -27.7472 45.4616 33.0841 PRESSAVG: 4918800 -63.9072 23.1581 0.13475 23.1582 56.4934 -14.1582 0.134783 -14.1583 -10.6571 GPRESSAVG: 4918800 -65.9967 24.4703 1.51377 23.1129 57.0752 -15.6919 1.59307 -13.5132 -9.90794 TIMING: 4918800 CPU: 14242.6, 0.0028915/step Wall: 14242.6, 0.0028915/step, 0.0652194 hours remaining, 211.511719 MB of memory in use. ENERGY: 4918800 770.1637 2061.1007 1961.1027 116.0816 -206097.6619 17853.1573 0.0000 0.0000 34204.0174 -149132.0386 298.7122 -183336.0559 -149037.5554 299.5621 -64.5229 -35.6593 559436.8223 -6.0237 -6.2765 PRESSURE: 4919000 79.638 107.816 38.168 107.817 -119.805 -2.15231 38.1689 -2.15019 199.72 GPRESSURE: 4919000 72.6051 192.661 60.6138 23.0464 -74.3739 -4.24503 28.0405 -44.8086 261.474 PRESSAVG: 4919000 8.89966 23.5842 21.9872 23.5842 -3.00327 18.2069 21.9873 18.207 2.62835 GPRESSAVG: 4919000 9.43612 22.8177 22.3897 22.0734 -2.32507 20.9779 20.5666 17.1643 1.24638 TIMING: 4919000 CPU: 14243.2, 0.00289777/step Wall: 14243.2, 0.00289777/step, 0.0651999 hours remaining, 211.511719 MB of memory in use. ENERGY: 4919000 755.4863 2024.0100 1959.2466 103.7210 -206225.0404 17898.2336 0.0000 0.0000 34330.8339 -149153.5091 299.8197 -183484.3429 -149057.0085 299.2113 53.1843 86.5685 558553.7132 2.8416 2.7858 PRESSURE: 4919200 112.679 -139.943 -35.6874 -139.943 -8.50752 154.159 -35.6889 154.16 57.0661 GPRESSURE: 4919200 145.025 -120.14 -111.967 -128.961 23.8914 170.971 47.9283 149.662 89.0841 PRESSAVG: 4919200 46.3334 32.9797 7.84964 32.9797 7.66148 -17.324 7.84968 -17.324 -24.1365 GPRESSAVG: 4919200 45.946 33.8547 8.43396 34.4884 7.63575 -18.8938 9.18033 -17.2973 -24.2015 TIMING: 4919200 CPU: 14243.8, 0.00291056/step Wall: 14243.8, 0.00291056/step, 0.0653259 hours remaining, 211.511719 MB of memory in use. ENERGY: 4919200 733.2330 2087.8261 1936.7744 106.7040 -206297.0365 17921.7696 0.0000 0.0000 34441.5282 -149069.2011 300.7864 -183510.7293 -148970.5505 299.9300 53.7460 86.0002 555555.1988 9.9528 9.7934 PRESSURE: 4919400 6.49595 125.934 3.6678 125.934 -155.966 62.4629 3.66739 62.4629 -198.117 GPRESSURE: 4919400 23.6145 183.74 -14.7113 80.81 -114.859 58.6509 21.6288 78.7318 -154.372 PRESSAVG: 4919400 -3.48892 -9.75776 13.0747 -9.7578 -10.3557 14.4838 13.0748 14.4837 10.2311 GPRESSAVG: 4919400 -2.73971 -10.1018 11.9872 -8.92652 -10.4622 14.2844 11.6347 12.5524 9.10156 TIMING: 4919400 CPU: 14244.4, 0.00288316/step Wall: 14244.4, 0.00288316/step, 0.0645508 hours remaining, 211.511719 MB of memory in use. ENERGY: 4919400 735.0256 2090.5539 1928.4827 124.0224 -206130.5344 17729.2417 0.0000 0.0000 34441.7671 -149081.4410 300.7885 -183523.2081 -148995.5870 299.7269 -115.8625 -81.8720 556972.6516 -1.2045 -1.3668 PRESSURE: 4919600 3.52202 42.0636 -7.51577 42.0647 -122.668 -42.2902 -7.51576 -42.2895 -448.854 GPRESSURE: 4919600 56.0626 16.5119 -95.6944 21.5655 -148.764 -58.9511 61.72 -36.2608 -387.913 PRESSAVG: 4919600 -1.70902 -71.1127 33.1918 -71.1128 -6.67169 -19.6679 33.1918 -19.6678 -8.32241 GPRESSAVG: 4919600 -1.51396 -72.4546 29.2779 -71.2439 -7.05939 -17.6856 33.2781 -17.7103 -7.76038 TIMING: 4919600 CPU: 14245, 0.00287492/step Wall: 14245, 0.00287492/step, 0.0642066 hours remaining, 211.511719 MB of memory in use. ENERGY: 4919600 705.5954 2018.2999 1955.3474 113.0148 -205445.1195 17267.8963 0.0000 0.0000 34337.1975 -149047.7683 299.8753 -183384.9658 -148946.1926 299.4321 -189.3334 -160.2050 558648.4763 -5.5677 -5.4446 PRESSURE: 4919800 -44.2786 -11.9739 39.3776 -11.9747 -79.0547 -10.4875 39.3787 -10.487 68.2959 GPRESSURE: 4919800 -14.4902 -85.5217 13.9241 -21.5475 -53.4792 -0.304693 -27.9217 52.1541 112.006 PRESSAVG: 4919800 -17.2261 -41.7218 4.35747 -41.7217 1.20475 1.07235 4.35752 1.07226 17.5496 GPRESSAVG: 4919800 -18.5898 -39.8503 8.76112 -43.3345 2.49967 -0.162626 4.06335 1.66381 17.2063 TIMING: 4919800 CPU: 14245.5, 0.00291383/step Wall: 14245.5, 0.00291383/step, 0.0649136 hours remaining, 211.511719 MB of memory in use. ENERGY: 4919800 735.7011 2101.6897 1937.1512 112.9787 -206018.5047 17676.7603 0.0000 0.0000 34465.3142 -148988.9095 300.9942 -183454.2237 -148893.5377 299.4668 -18.3458 14.6790 557030.6054 0.5094 0.3721 PRESSURE: 4920000 -346.82 47.7871 -51.4809 47.788 -6.20114 -170.924 -51.4814 -170.922 -73.0326 GPRESSURE: 4920000 -296.212 8.39836 -33.5554 139.739 5.93011 -134.277 -120.517 -133.904 -42.3233 PRESSAVG: 4920000 -12.1408 26.7666 33.8113 26.7666 35.1466 -15.6002 33.8113 -15.6002 -54.4721 GPRESSAVG: 4920000 -11.865 26.1834 33.3282 27.8011 34.4791 -14.6803 33.0149 -16.4521 -54.1851 TIMING: 4920000 CPU: 14246.1, 0.00290285/step Wall: 14246.1, 0.00290285/step, 0.0645077 hours remaining, 211.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4920000 769.9062 2071.5714 1933.5915 106.1925 -206169.3271 17811.4177 0.0000 0.0000 34307.7815 -149168.8662 299.6184 -183476.6478 -149057.4966 299.9898 -142.0179 -110.8684 557928.1624 -10.4888 -10.5237 PRESSURE: 4920200 73.3481 140.437 -241.936 140.436 -66.9782 -125.092 -241.936 -125.092 185.018 GPRESSURE: 4920200 60.2581 57.9378 -294.943 195.939 -13.8135 -111.995 -159.013 -203.503 232.717 PRESSAVG: 4920200 -2.12452 -4.64627 -32.091 -4.64626 -53.0483 -27.0216 -32.0911 -27.0217 31.5512 GPRESSAVG: 4920200 -1.89117 -5.23894 -32.879 -3.46525 -52.8011 -27.9968 -30.0973 -29.0101 30.9622 TIMING: 4920200 CPU: 14246.7, 0.00291226/step Wall: 14246.7, 0.00291226/step, 0.0645551 hours remaining, 211.511719 MB of memory in use. ENERGY: 4920200 777.2957 2075.6776 1952.2828 119.8965 -206236.8947 17918.3603 0.0000 0.0000 34278.5919 -149114.7898 299.3635 -183393.3817 -149022.9668 299.7412 63.7960 93.0537 557206.3434 -7.8739 -7.9100 LDB: ============= START OF LOAD BALANCING ============== 14250.1 LDB: ============== END OF LOAD BALANCING =============== 14250.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14250.1 LDB: ============= START OF LOAD BALANCING ============== 14250.4 LDB: Largest compute 4772 load 0.027894 is 23.6% of average load 0.117987 LDB: Average compute 0.001719 is 1.5% of average load 0.117987 LDB: TIME 14250.4 LOAD: AVG 0.117987 MAX 0.177922 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.512 MB LDB: TIME 14250.4 LOAD: AVG 0.117987 MAX 0.177922 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: TIME 14250.4 LOAD: AVG 0.117987 MAX 0.177922 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14250.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14250.4 PRESSURE: 4920400 201.012 -205.255 -188.21 -205.254 -51.5435 -88.9565 -188.21 -88.9557 262.255 GPRESSURE: 4920400 221.095 -214.736 -229.855 -140.965 40.1561 -159.241 -146.657 -114.111 256.583 PRESSAVG: 4920400 0.700793 0.254456 -20.625 0.254431 -31.6946 37.3603 -20.625 37.3603 72.5924 GPRESSAVG: 4920400 1.48077 -0.552626 -20.6977 -0.922705 -32.8863 38.4283 -20.8603 39.1396 72.9385 TIMING: 4920400 CPU: 14247.3, 0.0029614/step Wall: 14247.3, 0.0029614/step, 0.0654798 hours remaining, 211.769531 MB of memory in use. ENERGY: 4920400 747.8243 2073.3000 1956.8959 129.8138 -206256.5627 17936.8557 0.0000 0.0000 34231.9793 -149179.8937 298.9564 -183411.8729 -149081.2141 299.9945 137.2410 172.6113 556431.9482 13.8662 13.8443 PRESSURE: 4920600 -29.5948 224.143 -33.9751 224.142 -210.705 18.7641 -33.9747 18.765 226.163 GPRESSURE: 4920600 45.6024 217.308 -73.8214 272.016 -218.075 53.4008 -20.8766 -39.6066 249.07 PRESSAVG: 4920600 44.6868 -12.7794 22.4925 -12.7794 -33.8609 -41.1045 22.4925 -41.1046 18.8208 GPRESSAVG: 4920600 44.177 -11.3011 23.22 -14.8194 -33.2739 -42.7588 21.2475 -41.019 18.8765 TIMING: 4920600 CPU: 14247.9, 0.00292046/step Wall: 14247.9, 0.00292046/step, 0.0644124 hours remaining, 211.769531 MB of memory in use. ENERGY: 4920600 734.4791 2121.1177 1964.7146 106.9131 -206015.0367 17653.9870 0.0000 0.0000 34196.4227 -149237.4023 298.6459 -183433.8251 -149142.9883 299.0723 -4.7122 25.5325 556441.9641 9.8822 9.9265 PRESSURE: 4920800 267.009 182.773 -7.93526 182.773 50.4606 -59.8685 -7.93588 -59.8697 62.8108 GPRESSURE: 4920800 247.294 132.084 -92.7684 235.422 141.292 -64.3656 51.8375 -95.2164 79.5308 PRESSAVG: 4920800 -16.9112 -31.1488 -25.6752 -31.1489 -40.4056 -22.7236 -25.6752 -22.7236 24.9404 GPRESSAVG: 4920800 -16.672 -31.5966 -26.0093 -28.4038 -39.026 -21.9359 -24.3967 -22.7731 23.6891 TIMING: 4920800 CPU: 14248.5, 0.00291929/step Wall: 14248.5, 0.00291929/step, 0.0642244 hours remaining, 211.769531 MB of memory in use. ENERGY: 4920800 732.7385 2094.8142 1961.5103 109.1709 -206513.5272 18037.1068 0.0000 0.0000 34192.6595 -149385.5269 298.6130 -183578.1864 -149288.3874 298.6739 126.7603 156.0388 557859.4658 -10.7922 -10.6697 PRESSURE: 4921000 75.5336 -176.51 -91.9676 -176.511 25.6116 140.287 -91.9669 140.288 286.056 GPRESSURE: 4921000 134.77 -185.731 -113.241 -96.3923 87.7927 55.3868 -136.992 168.336 276.132 PRESSAVG: 4921000 -2.62775 40.7958 -58.0069 40.7957 -55.1139 7.31176 -58.0069 7.31185 37.2602 GPRESSAVG: 4921000 -3.35423 43.1268 -57.2994 39.0483 -55.5033 8.4788 -58.6554 6.20663 37.2709 TIMING: 4921000 CPU: 14249, 0.00292916/step Wall: 14249, 0.00292916/step, 0.0642789 hours remaining, 211.769531 MB of memory in use. ENERGY: 4921000 741.5955 2025.8482 1942.6049 112.9936 -206609.5431 18100.8224 0.0000 0.0000 34300.0074 -149385.6710 299.5505 -183685.6784 -149287.5310 298.4412 129.0669 166.2315 556849.7947 -6.8272 -7.1956 PRESSURE: 4921200 -32.196 209.799 -55.0747 209.8 -44.5696 216.523 -55.076 216.523 -70.9213 GPRESSURE: 4921200 2.01937 203.887 -45.9017 155.147 -64.2189 299.515 -56.1212 138.489 19.9936 PRESSAVG: 4921200 -11.9239 -11.3102 -63.9319 -11.3101 -32.5796 -1.52447 -63.9318 -1.52441 57.1224 GPRESSAVG: 4921200 -11.589 -12.749 -65.1481 -10.1129 -34.3541 -3.57881 -62.663 0.277468 58.5691 TIMING: 4921200 CPU: 14249.6, 0.00291431/step Wall: 14249.6, 0.00291431/step, 0.0637909 hours remaining, 211.769531 MB of memory in use. ENERGY: 4921200 773.6576 2077.6035 1933.4559 105.2361 -206106.1130 17828.1578 0.0000 0.0000 34168.4543 -149219.5477 298.4016 -183388.0020 -149119.4144 299.6883 -49.2290 -14.0686 557062.3836 4.2063 4.2087 PRESSURE: 4921400 -104.269 125.084 33.8186 125.083 178.069 -68.923 33.8187 -68.9236 -134.466 GPRESSURE: 4921400 -59.8741 43.2108 45.552 198.795 226.747 -18.8933 -10.7534 -59.2553 -138.158 PRESSAVG: 4921400 28.7084 5.39446 5.54009 5.39451 -3.65365 25.2374 5.54008 25.2372 -31.9159 GPRESSAVG: 4921400 28.5087 4.20688 5.32261 5.23272 -3.37192 24.8613 5.17857 23.3793 -31.8496 TIMING: 4921400 CPU: 14250.2, 0.00292413/step Wall: 14250.2, 0.00292413/step, 0.0638436 hours remaining, 211.769531 MB of memory in use. ENERGY: 4921400 740.8651 2075.2811 1967.1711 122.8225 -206198.1658 17861.1402 0.0000 0.0000 34238.2380 -149192.6479 299.0110 -183430.8859 -149097.1641 299.2278 -20.2221 9.5717 557258.2382 -2.2870 -2.2376 PRESSURE: 4921600 53.693 1.42729 88.1014 1.42709 142.76 110.839 88.1021 110.839 24.1384 GPRESSURE: 4921600 83.5313 -43.6128 79.2635 23.1735 172.756 205.329 33.9448 83.18 65.0675 PRESSAVG: 4921600 21.7186 10.9288 -39.4696 10.9289 42.8257 -45.7753 -39.4698 -45.7753 -41.3987 GPRESSAVG: 4921600 22.2299 13.3008 -38.8974 9.19791 43.2685 -44.4864 -39.4164 -44.4689 -42.4325 TIMING: 4921600 CPU: 14250.8, 0.0029217/step Wall: 14250.8, 0.0029217/step, 0.0636282 hours remaining, 211.769531 MB of memory in use. ENERGY: 4921600 726.9648 2051.4433 1982.0570 104.2113 -206564.0264 18030.9041 0.0000 0.0000 34570.7290 -149097.7169 301.9148 -183668.4459 -148999.0081 299.3453 73.5303 107.1183 557147.2184 7.7152 7.6886 PRESSURE: 4921800 65.5099 128.461 86.6592 128.46 -270.576 18.1004 86.6593 18.0992 -72.7752 GPRESSURE: 4921800 90.6879 221.701 32.8586 81.4753 -218.191 75.002 147.337 16.1422 -50.349 PRESSAVG: 4921800 7.40278 -13.3094 14.8733 -13.3095 -18.1902 13.2905 14.8732 13.2906 19.373 GPRESSAVG: 4921800 8.70941 -16.3768 13.5212 -11.3636 -19.3963 12.6087 15.5563 13.826 19.4867 TIMING: 4921800 CPU: 14251.4, 0.00290139/step Wall: 14251.4, 0.00290139/step, 0.0630246 hours remaining, 211.769531 MB of memory in use. ENERGY: 4921800 748.8573 2100.8867 1941.0770 115.0453 -205856.1188 17622.2116 0.0000 0.0000 34153.1322 -149174.9087 298.2678 -183328.0410 -149077.3963 299.4701 -92.6137 -59.2839 556890.7015 2.8618 2.9332 PRESSURE: 4922000 -137.341 34.4856 130.725 34.4864 -63.9302 164.05 130.726 164.049 -108.251 GPRESSURE: 4922000 -81.9318 67.3134 103.872 -43.7686 -58.0221 103.098 129.578 136.87 -67.4861 PRESSAVG: 4922000 49.5372 -11.4835 40.8842 -11.4835 -47.5613 20.6016 40.8841 20.6016 -43.5893 GPRESSAVG: 4922000 48.8906 -10.5527 41.9026 -12.4936 -47.2087 23.296 41.0971 17.877 -43.5132 TIMING: 4922000 CPU: 14252, 0.00292227/step Wall: 14252, 0.00292227/step, 0.0633159 hours remaining, 211.769531 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: 4922000 784.8860 2101.3286 1932.2339 112.8734 -206188.6395 17799.8318 0.0000 0.0000 34198.4274 -149259.0585 298.6634 -183457.4859 -149163.9514 298.9407 -103.1741 -69.1467 557189.7865 -13.8711 -13.9438 PRESSURE: 4922200 315.901 -101.84 4.12542 -101.84 112.412 91.4048 4.12586 91.4038 -61.2852 GPRESSURE: 4922200 341.729 -74.4267 32.0425 -98.9576 82.7631 177.997 10.7986 33.1408 24.0334 PRESSAVG: 4922200 79.31 -23.9648 2.25409 -23.9648 -38.9059 55.1082 2.25408 55.1083 -32.4465 GPRESSAVG: 4922200 79.2977 -22.087 2.47276 -25.1953 -39.5099 52.3988 2.03721 56.6945 -32.0046 TIMING: 4922200 CPU: 14252.5, 0.00293004/step Wall: 14252.5, 0.00293004/step, 0.0633214 hours remaining, 211.769531 MB of memory in use. ENERGY: 4922200 762.5531 2040.4658 1978.1253 127.2322 -206605.5859 18163.5463 0.0000 0.0000 34249.1748 -149284.4883 299.1066 -183533.6631 -149191.2770 298.7686 122.3425 149.5085 557601.8660 2.6525 2.5944 PRESSURE: 4922400 -50.5667 -96.9559 -97.6111 -96.9553 12.302 133.88 -97.6123 133.881 -1.78688 GPRESSURE: 4922400 -10.9027 -149.756 -130.321 -172.759 15.2883 53.01 2.8426 152.884 51.1078 PRESSAVG: 4922400 45.0648 -4.46195 20.9392 -4.46195 -25.3509 17.5689 20.9392 17.569 -15.5418 GPRESSAVG: 4922400 44.4953 -5.52217 21.6307 -2.34756 -24.6271 18.2179 18.8599 18.569 -15.9737 TIMING: 4922400 CPU: 14253.1, 0.00289488/step Wall: 14253.1, 0.00289488/step, 0.0624008 hours remaining, 211.769531 MB of memory in use. ENERGY: 4922400 724.0344 2135.2738 1973.3277 111.6587 -206038.9216 17709.6857 0.0000 0.0000 34148.1844 -149236.7570 298.2246 -183384.9414 -149138.7897 298.8290 -13.3505 18.4978 557736.3366 1.3907 1.2982 PRESSURE: 4922600 -285.215 50.5687 -79.5402 50.5694 -230.615 268.763 -79.5398 268.763 120.135 GPRESSURE: 4922600 -248.515 62.6956 44.2933 61.2555 -184.798 290.107 -131.413 235.777 128.463 PRESSAVG: 4922600 46.9541 16.474 -1.20538 16.4739 -44.7297 37.9919 -1.2055 37.9919 5.8185 GPRESSAVG: 4922600 46.1741 15.2182 -1.1795 17.1622 -44.6421 37.0925 1.53419 37.8219 6.57935 TIMING: 4922600 CPU: 14253.7, 0.00290602/step Wall: 14253.7, 0.00290602/step, 0.0624794 hours remaining, 211.769531 MB of memory in use. ENERGY: 4922600 739.0467 2098.9305 1966.8921 112.3383 -205907.3876 17495.8690 0.0000 0.0000 34345.9042 -149148.4069 299.9513 -183494.3111 -149046.6505 299.0784 -131.8983 -101.6166 557799.4795 2.6810 2.7038 PRESSURE: 4922800 -33.0205 143.634 -236.001 143.634 -72.7319 -127.864 -236.001 -127.864 255.691 GPRESSURE: 4922800 -13.4176 173.228 -165.784 153.48 -55.8332 -104.751 -201.818 -143.827 308.195 PRESSAVG: 4922800 23.4803 6.19284 -9.03257 6.19288 -7.9327 -6.5681 -9.03258 -6.56802 -3.12556 GPRESSAVG: 4922800 23.825 4.40957 -9.32475 7.16457 -7.11363 -5.36765 -10.8217 -6.44162 -4.307 TIMING: 4922800 CPU: 14254.3, 0.00293114/step Wall: 14254.3, 0.00293114/step, 0.0628567 hours remaining, 211.769531 MB of memory in use. ENERGY: 4922800 732.5867 2080.8503 1937.4139 112.8091 -206128.9303 17744.8141 0.0000 0.0000 34296.1833 -149224.2729 299.5171 -183520.4562 -149137.2737 299.2723 49.9797 79.6479 557937.7739 4.1407 4.1348 PRESSURE: 4923000 -149.078 27.9354 -145.596 27.9351 -182.357 -13.3224 -145.595 -13.3231 -12.2932 GPRESSURE: 4923000 -175.062 51.1198 -90.0321 23.9533 -132.887 -5.47923 -161.644 -37.4348 59.8225 PRESSAVG: 4923000 9.72986 19.7432 -12.3041 19.7432 -48.1924 -51.6804 -12.304 -51.6803 25.9437 GPRESSAVG: 4923000 9.81026 23.8304 -11.959 17.4257 -48.0128 -50.2684 -11.8595 -52.059 26.1655 TIMING: 4923000 CPU: 14254.9, 0.00292656/step Wall: 14254.9, 0.00292656/step, 0.0625958 hours remaining, 211.769531 MB of memory in use. ENERGY: 4923000 749.4244 2044.8623 1981.0082 116.2679 -206044.7314 17727.2599 0.0000 0.0000 34274.8047 -149151.1040 299.3304 -183425.9087 -149054.9935 298.9443 -114.5761 -82.7089 559024.0376 -4.1729 -4.0123 PRESSURE: 4923200 -252.611 -108.491 56.6451 -108.492 -237.552 22.0982 56.6458 22.0984 -41.1022 GPRESSURE: 4923200 -230.162 -103.631 -1.39633 -96.714 -232.862 57.1475 101.879 17.8438 37.4336 PRESSAVG: 4923200 22.5492 -38.1212 -15.6603 -38.1213 -24.2941 19.2484 -15.6602 19.2483 8.0994 GPRESSAVG: 4923200 22.0925 -37.7066 -16.8219 -37.7568 -24.7013 18.492 -15.608 17.6297 8.72683 TIMING: 4923200 CPU: 14255.5, 0.00290024/step Wall: 14255.5, 0.00290024/step, 0.0618719 hours remaining, 211.769531 MB of memory in use. ENERGY: 4923200 737.7121 2099.1683 1969.3799 113.9996 -205824.7672 17691.2405 0.0000 0.0000 34125.5274 -149087.7395 298.0267 -183213.2668 -148995.0915 299.1807 -177.0883 -141.8635 560407.8026 2.1181 2.0393 PRESSURE: 4923400 -53.3776 -195.978 -294.593 -195.978 26.8729 9.55925 -294.593 9.55911 -325.588 GPRESSURE: 4923400 -68.2495 -154.493 -245.99 -207.991 35.7505 -0.153911 -275.351 33.1468 -208.125 PRESSAVG: 4923400 -44.938 0.417166 -50.9138 0.417157 -3.05391 -46.9741 -50.9138 -46.9741 69.3362 GPRESSAVG: 4923400 -44.2873 -2.12907 -48.43 2.0018 -2.55206 -47.4622 -52.9834 -45.1776 68.0647 TIMING: 4923400 CPU: 14256, 0.00292399/step Wall: 14256, 0.00292399/step, 0.0622159 hours remaining, 211.769531 MB of memory in use. ENERGY: 4923400 738.2103 2124.1556 1945.4075 115.8747 -205841.2568 17638.8783 0.0000 0.0000 34462.8824 -148815.8479 300.9729 -183278.7303 -148722.0322 299.2835 -117.3641 -80.2080 558996.2993 7.1148 7.0751 PRESSURE: 4923600 -198.498 1.48496 6.86088 1.48498 -81.0113 52.1281 6.85956 52.1268 -184.188 GPRESSURE: 4923600 -203.079 -28.3417 -59.3622 -49.1934 -42.1561 81.4513 33.0277 64.0987 -121.288 PRESSAVG: 4923600 10.4314 -15.5198 -40.6612 -15.5197 52.4131 18.9808 -40.6613 18.9808 -57.2745 GPRESSAVG: 4923600 10.6212 -16.8569 -41.7113 -15.6173 52.9091 19.6384 -39.9482 18.9902 -56.8492 TIMING: 4923600 CPU: 14256.6, 0.00291158/step Wall: 14256.6, 0.00291158/step, 0.0617902 hours remaining, 211.769531 MB of memory in use. ENERGY: 4923600 743.5278 2090.6317 1968.0024 126.8162 -205814.0677 17667.9670 0.0000 0.0000 34325.3398 -148891.7827 299.7717 -183217.1225 -148796.0084 300.3742 -154.5660 -122.1742 558863.6008 1.8567 2.2271 PRESSURE: 4923800 85.7327 -119.536 116.461 -119.536 -72.3616 -13.4829 116.459 -13.482 -76.8517 GPRESSURE: 4923800 110.73 -124.696 111 -9.87225 -36.9979 4.37182 135.958 -56.7915 -35.7535 PRESSAVG: 4923800 -67.8089 -18.736 -0.385275 -18.7359 19.4472 -3.35436 -0.385203 -3.35428 22.965 GPRESSAVG: 4923800 -66.9135 -16.9169 0.467558 -19.656 18.5556 -2.23746 -0.302617 -5.33401 23.2547 TIMING: 4923800 CPU: 14257.2, 0.00291035/step Wall: 14257.2, 0.00291035/step, 0.0616024 hours remaining, 211.769531 MB of memory in use. ENERGY: 4923800 744.8784 2061.6383 1940.3856 113.3926 -205996.8644 17767.2584 0.0000 0.0000 34297.2211 -149072.0899 299.5262 -183369.3110 -148974.2813 300.6575 -21.1602 12.6594 558882.1717 -8.4656 -8.3678 PRESSURE: 4924000 -121.771 109.836 -12.6842 109.837 49.7412 46.0418 -12.6848 46.0416 60.9343 GPRESSURE: 4924000 -61.8202 63.4511 -108.558 126.621 68.7401 36.6462 65.0044 55.2307 74.8896 PRESSAVG: 4924000 -16.9219 3.19849 -18.2842 3.19857 -34.7405 2.40159 -18.2843 2.40151 19.6351 GPRESSAVG: 4924000 -15.9198 2.96712 -17.6426 4.00009 -35.3999 2.23348 -19.3687 2.01175 18.8258 TIMING: 4924000 CPU: 14257.8, 0.00290977/step Wall: 14257.8, 0.00290977/step, 0.0614285 hours remaining, 211.769531 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: 4924000 765.3071 2130.3384 1942.3620 130.3597 -206282.3083 17793.6926 0.0000 0.0000 34415.2587 -149104.9899 300.5570 -183520.2485 -149009.0117 299.8366 -3.6985 27.2698 557675.9384 -10.6758 -10.8313 PRESSURE: 4924200 -198.859 55.8326 20.6994 55.8331 -12.1808 113.622 20.6978 113.621 -449.807 GPRESSURE: 4924200 -143.85 37.1144 -20.1095 1.45269 -24.6056 212.459 125.904 33.9506 -396.366 PRESSAVG: 4924200 22.8053 -4.29827 -45.2326 -4.29832 -39.2624 24.9621 -45.2327 24.9622 9.55595 GPRESSAVG: 4924200 21.0735 -4.37044 -45.4915 -4.97813 -38.1675 21.8173 -43.687 28.2146 10.0689 TIMING: 4924200 CPU: 14258.4, 0.00291385/step Wall: 14258.4, 0.00291385/step, 0.0613528 hours remaining, 211.769531 MB of memory in use. ENERGY: 4924200 749.9916 2091.1932 1971.6294 105.6020 -205581.4449 17372.2950 0.0000 0.0000 34181.7125 -149109.0212 298.5174 -183290.7337 -149004.6874 299.7396 -220.2824 -188.2740 557345.2590 -2.3004 -2.3417 LDB: ============= START OF LOAD BALANCING ============== 14261.8 LDB: ============== END OF LOAD BALANCING =============== 14261.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14261.8 LDB: ============= START OF LOAD BALANCING ============== 14262.1 LDB: Largest compute 4772 load 0.028803 is 24.4% of average load 0.118031 LDB: Average compute 0.001719 is 1.5% of average load 0.118031 LDB: TIME 14262.1 LOAD: AVG 0.118031 MAX 0.182425 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.918 MB LDB: TIME 14262.1 LOAD: AVG 0.118031 MAX 0.182425 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.121 MB LDB: TIME 14262.1 LOAD: AVG 0.118031 MAX 0.182425 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.121 MB LDB: ============== END OF LOAD BALANCING =============== 14262.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14262.1 PRESSURE: 4924400 -104.051 13.4031 -84.2882 13.4038 -27.3053 -56.1977 -84.2872 -56.1981 -63.4354 GPRESSURE: 4924400 -92.8036 -64.5613 -24.9978 8.53047 61.074 -63.2864 -7.64456 -6.44026 -55.7712 PRESSAVG: 4924400 44.769 17.3127 56.4268 17.3128 23.7507 22.577 56.4268 22.577 -66.9195 GPRESSAVG: 4924400 44.4519 16.8205 53.7813 18.0866 23.5747 23.9033 57.6386 20.233 -65.9911 TIMING: 4924400 CPU: 14259, 0.00297906/step Wall: 14259, 0.00297906/step, 0.0625603 hours remaining, 212.589844 MB of memory in use. ENERGY: 4924400 764.8331 2079.8873 1972.6419 109.9630 -206069.4042 17791.5580 0.0000 0.0000 34239.8621 -149110.6588 299.0252 -183350.5209 -149017.4508 299.1419 -64.9305 -29.1670 558338.5882 0.5334 0.6785 PRESSURE: 4924600 226.769 -76.5977 -29.5409 -76.5979 -139.24 111.465 -29.5409 111.463 -206.8 GPRESSURE: 4924600 195.791 -10.5532 -18.2974 -99.3973 -93.1005 72.1166 -44.2949 80.8898 -125.546 PRESSAVG: 4924600 32.6527 -14.5363 -5.52103 -14.5364 -11.3426 -13.6857 -5.52116 -13.6858 -35.5734 GPRESSAVG: 4924600 33.0987 -12.638 -2.79578 -15.3453 -10.3295 -11.8126 -8.09076 -13.0622 -37.1218 TIMING: 4924600 CPU: 14259.6, 0.00290259/step Wall: 14259.6, 0.00290259/step, 0.0607931 hours remaining, 212.789062 MB of memory in use. ENERGY: 4924600 745.5821 2029.4045 1972.4088 121.6547 -206185.2402 17884.3378 0.0000 0.0000 34401.8632 -149029.9891 300.4400 -183431.8523 -148939.2290 299.4305 -39.7569 -7.6183 558693.3289 -4.7544 -4.7842 PRESSURE: 4924800 -28.8576 -130.199 -71.1451 -130.199 22.2823 132.722 -71.1458 132.721 -265.519 GPRESSURE: 4924800 -64.9676 -149.719 -80.0567 -54.9886 79.2907 168.52 -43.4381 58.8863 -180.354 PRESSAVG: 4924800 -24.618 -11.8133 -6.79118 -11.8133 28.6556 -2.48508 -6.79119 -2.48509 27.2218 GPRESSAVG: 4924800 -25.6426 -12.3288 -10.313 -12.1354 27.7897 -2.6551 -4.7052 -4.02097 28.7731 TIMING: 4924800 CPU: 14260.1, 0.00290594/step Wall: 14260.1, 0.00290594/step, 0.0607019 hours remaining, 212.789062 MB of memory in use. ENERGY: 4924800 789.7279 2098.8842 1936.2128 108.9829 -206050.4995 17837.2828 0.0000 0.0000 34221.4240 -149057.9849 298.8642 -183279.4089 -148965.0876 299.6240 -90.6980 -55.3435 558534.6066 10.4198 10.3067 PRESSURE: 4925000 -109.112 -128.797 -126.256 -128.797 39.6832 -127.435 -126.255 -127.435 -3.85511 GPRESSURE: 4925000 -70.2603 -65.4384 -167.069 -113.094 58.2115 -27.7765 -79.0423 -164.978 22.6822 PRESSAVG: 4925000 32.5491 -36.2208 17.1694 -36.2208 65.0033 27.9835 17.1694 27.9834 -61.7803 GPRESSAVG: 4925000 32.8205 -34.7385 20.6707 -36.8773 65.2691 28.7883 17.4241 29.1195 -61.8427 TIMING: 4925000 CPU: 14260.7, 0.00291147/step Wall: 14260.7, 0.00291147/step, 0.0606556 hours remaining, 212.789062 MB of memory in use. ENERGY: 4925000 705.9824 2106.9671 1939.7837 113.4846 -205838.8897 17617.1425 0.0000 0.0000 34402.6282 -148952.9013 300.4467 -183355.5295 -148852.2585 299.5384 -24.4281 3.5445 559022.5637 11.9240 12.0823 PRESSURE: 4925200 130.148 -56.7794 -55.1228 -56.7772 -103.619 -109.129 -55.1242 -109.128 -29.5383 GPRESSURE: 4925200 34.0711 -103.868 -33.3997 -48.4128 -2.84154 -156.407 -104.754 -135.185 59.1018 PRESSAVG: 4925200 5.28367 -18.6631 -23.5244 -18.663 11.5731 -35.4385 -23.5244 -35.4386 15.3547 GPRESSAVG: 4925200 6.20634 -19.9767 -23.6299 -19.6074 10.5078 -36.0688 -23.8713 -36.4775 15.4641 TIMING: 4925200 CPU: 14261.3, 0.00292415/step Wall: 14261.3, 0.00292415/step, 0.0607574 hours remaining, 212.789062 MB of memory in use. ENERGY: 4925200 739.4807 2097.2103 1951.9942 123.4165 -206077.0684 17744.1656 0.0000 0.0000 34392.1292 -149028.6718 300.3550 -183420.8010 -148937.9017 300.4800 -1.0029 30.1105 557793.6159 10.7372 10.7261 PRESSURE: 4925400 236.8 -159.504 -27.5887 -159.503 130.179 9.64538 -27.5894 9.64505 -218.378 GPRESSURE: 4925400 251.518 -229.756 -70.9016 -49.4516 125.706 24.7967 1.59729 -12.0916 -136.343 PRESSAVG: 4925400 12.1418 -69.9469 -3.62068 -69.9469 33.3753 2.18602 -3.62067 2.18614 -15.9374 GPRESSAVG: 4925400 11.6258 -68.7323 -5.6876 -69.5257 34.157 -0.307889 -3.42576 4.23742 -16.6867 TIMING: 4925400 CPU: 14261.9, 0.00290159/step Wall: 14261.9, 0.00290159/step, 0.0601275 hours remaining, 212.789062 MB of memory in use. ENERGY: 4925400 756.3971 2079.4522 1952.3002 124.9715 -206316.7548 17926.5337 0.0000 0.0000 34320.7391 -149156.3611 299.7316 -183477.1002 -149063.3111 299.7422 49.5335 80.2936 556533.6864 9.8599 9.6987 PRESSURE: 4925600 -335.609 241.974 -131.579 241.974 -42.0266 4.57018 -131.58 4.57036 -484.658 GPRESSURE: 4925600 -283.278 297.12 -148.554 208.524 -7.17913 -17.366 -80.4115 1.37814 -471.699 PRESSAVG: 4925600 103.306 -48.1729 13.1395 -48.173 12.7449 -22.6744 13.1396 -22.6744 -95.5052 GPRESSAVG: 4925600 103.447 -48.1423 15.8016 -47.9461 12.412 -22.6981 12.3921 -22.9949 -94.9481 TIMING: 4925600 CPU: 14262.5, 0.00290008/step Wall: 14262.5, 0.00290008/step, 0.059935 hours remaining, 212.789062 MB of memory in use. ENERGY: 4925600 770.6965 2041.3290 1939.7421 108.3912 -205690.9381 17500.8443 0.0000 0.0000 34163.4620 -149166.4729 298.3580 -183329.9349 -149071.9117 299.0293 -287.4312 -254.0523 558916.2451 6.8486 6.9705 PRESSURE: 4925800 86.4857 -74.151 107.818 -74.1516 98.1438 35.1449 107.819 35.1446 247.969 GPRESSURE: 4925800 90.1844 -124.521 137.242 -46.2001 164.954 65.985 23.0061 -1.23862 287.049 PRESSAVG: 4925800 56.8036 38.0662 -6.2364 38.0662 -2.34274 62.5506 -6.23639 62.5506 -76.3143 GPRESSAVG: 4925800 57.5947 38.9373 -6.80939 39.1126 -3.14916 65.1828 -5.67969 61.3512 -76.0654 TIMING: 4925800 CPU: 14263, 0.00291413/step Wall: 14263, 0.00291413/step, 0.0600635 hours remaining, 212.789062 MB of memory in use. ENERGY: 4925800 713.9913 2068.9477 1973.6676 121.4802 -205888.4348 17788.4872 0.0000 0.0000 34260.9126 -148960.9483 299.2091 -183221.8610 -148868.2262 299.1091 144.1994 180.7290 557038.5623 -7.2845 -7.2066 PRESSURE: 4926000 -57.2272 -36.6761 -141.618 -36.6764 126.484 59.0326 -141.62 59.0331 169.135 GPRESSURE: 4926000 -58.7714 -95.1251 -114.76 -142.806 204.98 3.51843 -85.8861 133.016 184.167 PRESSAVG: 4926000 -13.5127 -8.44773 -4.62213 -8.44776 -71.6863 46.2959 -4.62216 46.2959 59.382 GPRESSAVG: 4926000 -15.0395 -9.87784 -4.79624 -7.99116 -70.1834 44.5838 -7.29548 48.0997 59.0038 TIMING: 4926000 CPU: 14263.6, 0.00291643/step Wall: 14263.6, 0.00291643/step, 0.0599489 hours remaining, 212.789062 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: 4926000 730.0440 2131.9440 1940.2044 109.3413 -206290.5049 17899.0993 0.0000 0.0000 34390.2525 -149089.6195 300.3386 -183479.8720 -148999.4789 299.5086 79.4639 110.1250 555885.7740 -8.6057 -8.7397 PRESSURE: 4926200 -271.182 -111.064 -26.6562 -111.065 -255.658 63.1038 -26.6554 63.1038 -187.825 GPRESSURE: 4926200 -214.178 -128.839 53.2451 -80.3748 -208.275 41.5678 -27.8711 120.138 -192.495 PRESSAVG: 4926200 -40.0702 -11.7752 -65.5889 -11.7752 7.78914 13.6535 -65.5889 13.6533 39.5451 GPRESSAVG: 4926200 -38.9044 -10.7657 -65.5844 -11.1547 7.33495 13.0784 -63.3329 13.282 38.8664 TIMING: 4926200 CPU: 14264.2, 0.00293304/step Wall: 14264.2, 0.00293304/step, 0.0601272 hours remaining, 212.789062 MB of memory in use. ENERGY: 4926200 758.0924 2076.0916 1961.5416 98.9279 -205833.6100 17277.9055 0.0000 0.0000 34396.3815 -149264.6695 300.3922 -183661.0509 -149170.0404 298.8484 -238.2217 -204.9828 558159.2272 2.4213 2.4323 PRESSURE: 4926400 213.176 92.0496 -55.8448 92.0487 -113.734 73.3331 -55.8454 73.3307 181.933 GPRESSURE: 4926400 241.575 47.4933 -97.1098 79.7845 -66.4097 86.4267 -32.9802 25.5709 206.976 PRESSAVG: 4926400 -20.5146 3.96008 -9.18556 3.9601 -44.8282 6.6937 -9.18572 6.69364 62.5144 GPRESSAVG: 4926400 -20.4738 3.45818 -9.00512 3.48692 -45.2089 8.40746 -8.06474 5.90874 62.9049 TIMING: 4926400 CPU: 14264.8, 0.00293186/step Wall: 14264.8, 0.00293186/step, 0.0599402 hours remaining, 212.789062 MB of memory in use. ENERGY: 4926400 740.4313 2073.8180 1981.4090 117.5055 -206277.8852 17787.2248 0.0000 0.0000 34149.9249 -149427.5717 298.2398 -183577.4967 -149335.1836 298.4777 93.7917 127.3805 556937.2929 -0.9428 -0.9259 PRESSURE: 4926600 -186.712 64.1824 101.687 64.1823 -165.72 153.239 101.687 153.238 68.8191 GPRESSURE: 4926600 -146.547 86.5121 65.5191 93.7821 -74.9903 54.1318 162.122 199.69 41.6691 PRESSAVG: 4926600 -5.4583 44.6567 4.83894 44.6566 -58.3964 -25.9629 4.839 -25.9629 43.1022 GPRESSAVG: 4926600 -5.37198 45.0479 3.56247 45.5507 -58.9113 -30.0326 4.58769 -23.9887 43.3407 TIMING: 4926600 CPU: 14265.4, 0.00293495/step Wall: 14265.4, 0.00293495/step, 0.0598403 hours remaining, 212.789062 MB of memory in use. ENERGY: 4926600 736.1081 2088.6204 1972.4275 115.9817 -206267.1976 17665.0169 0.0000 0.0000 34253.1938 -149435.8491 299.1417 -183689.0430 -149341.1844 298.6262 -94.5376 -59.9560 556367.6452 -6.9175 -6.9809 PRESSURE: 4926800 -138.572 111.445 -3.66913 111.443 -2.71517 -15.4063 -3.66892 -15.4071 -287.167 GPRESSURE: 4926800 -122.369 -75.9645 -20.7744 151.94 -16.0439 105.692 18.8027 -48.4283 -185.628 PRESSAVG: 4926800 -12.2679 -27.8929 -15.699 -27.8929 1.59018 17.6282 -15.699 17.6284 -1.24851 GPRESSAVG: 4926800 -13.5717 -28.6237 -14.5378 -27.6362 3.44957 20.3311 -16.7075 16.2985 -1.26319 TIMING: 4926800 CPU: 14266, 0.0029244/step Wall: 14266, 0.0029244/step, 0.0594628 hours remaining, 212.789062 MB of memory in use. ENERGY: 4926800 731.0508 2061.2529 1948.5100 108.2314 -205972.2030 17493.7618 0.0000 0.0000 34458.1913 -149171.2048 300.9320 -183629.3961 -149081.3227 299.0557 -142.8183 -108.0137 556943.0240 -3.9754 -3.7951 PRESSURE: 4927000 -91.5584 61.0639 168.611 61.0629 125.713 51.1306 168.612 51.1299 -39.0502 GPRESSURE: 4927000 -130.896 163.897 83.7373 -69.8126 190.938 9.97762 223.172 135.281 40.5263 PRESSAVG: 4927000 5.20173 15.1102 26.083 15.1102 -54.7167 13.432 26.083 13.4319 35.5319 GPRESSAVG: 4927000 5.63878 15.6346 25.3783 13.5864 -54.6163 13.0682 26.6546 15.9952 35.1832 TIMING: 4927000 CPU: 14266.6, 0.00291903/step Wall: 14266.6, 0.00291903/step, 0.0591913 hours remaining, 212.789062 MB of memory in use. ENERGY: 4927000 704.5159 2079.8135 1971.0107 119.6439 -206270.8231 17720.4366 0.0000 0.0000 34489.6863 -149185.7161 301.2070 -183675.4024 -149094.0794 299.3274 -1.6318 33.5228 557700.9659 -4.6610 -4.5981 PRESSURE: 4927200 -91.8313 31.0672 -182.673 31.068 30.4085 77.5611 -182.674 77.5624 9.20337 GPRESSURE: 4927200 -41.7004 73.0083 -185.823 63.5632 55.9736 88.9202 -215.919 73.5993 25.9622 PRESSAVG: 4927200 -39.227 46.0618 24.2103 46.0618 68.5044 20.9102 24.2102 20.9102 -28.7296 GPRESSAVG: 4927200 -37.5152 46.6127 25.4475 46.4736 66.237 20.8667 22.569 19.5343 -28.258 TIMING: 4927200 CPU: 14267.1, 0.00294107/step Wall: 14267.1, 0.00294107/step, 0.059475 hours remaining, 212.789062 MB of memory in use. ENERGY: 4927200 755.6142 2064.1805 1935.6686 115.7545 -206304.2201 17842.0353 0.0000 0.0000 34332.5039 -149258.4631 299.8343 -183590.9670 -149151.1770 299.9382 -17.4065 13.4118 557571.4882 0.1826 0.1546 PRESSURE: 4927400 73.8928 86.9855 32.302 86.9859 -73.7231 -81.3953 32.3015 -81.3971 -36.7864 GPRESSURE: 4927400 79.8917 39.5022 13.1773 70.9389 -18.9438 -99.931 60.1777 -18.8426 -20.4847 PRESSAVG: 4927400 -66.9169 37.5435 -18.7273 37.5436 62.9981 29.6662 -18.7273 29.6662 28.9892 GPRESSAVG: 4927400 -68.1813 38.7091 -18.0143 37.4225 64.0546 29.6101 -16.8708 28.1764 29.2814 TIMING: 4927400 CPU: 14267.7, 0.00294672/step Wall: 14267.7, 0.00294672/step, 0.0594255 hours remaining, 212.789062 MB of memory in use. ENERGY: 4927400 721.8861 2097.2693 1945.9566 127.6979 -206212.3304 17660.8490 0.0000 0.0000 34287.6872 -149370.9842 299.4429 -183658.6715 -149278.1052 299.2930 -12.2056 13.4877 557036.9338 8.3568 8.3849 PRESSURE: 4927600 -112.669 -15.4248 -35.0943 -15.4249 182.147 201.459 -35.0942 201.46 -147.667 GPRESSURE: 4927600 -92.6054 -18.0632 -109.042 0.310082 185.538 90.9241 37.0357 203.125 -82.0168 PRESSAVG: 4927600 14.5481 -1.64548 -61.8488 -1.64544 12.6462 40.2138 -61.8489 40.2138 -23.662 GPRESSAVG: 4927600 16.0649 -2.33052 -62.0389 -3.00578 11.0703 40.183 -62.3479 41.5103 -23.2208 TIMING: 4927600 CPU: 14268.3, 0.00296364/step Wall: 14268.3, 0.00296364/step, 0.0596022 hours remaining, 212.789062 MB of memory in use. ENERGY: 4927600 743.6576 2054.0576 1958.7588 112.9910 -206040.8191 17649.9175 0.0000 0.0000 34043.3327 -149478.1039 297.3089 -183521.4366 -149386.5659 297.9995 -26.0632 3.6386 555435.9805 1.1774 1.3048 PRESSURE: 4927800 -76.8689 55.0479 165.299 55.0484 -163.526 -0.377463 165.299 -0.37638 -116.87 GPRESSURE: 4927800 -61.8386 36.5426 212.825 -21.3804 -139.757 4.74268 83.6773 4.20744 -62.5757 PRESSAVG: 4927800 -18.9512 -35.6349 12.0378 -35.6348 -29.978 18.4497 12.0377 18.4498 49.2146 GPRESSAVG: 4927800 -19.7262 -34.4758 9.79488 -34.1671 -29.2343 18.002 13.7914 17.8091 48.5758 TIMING: 4927800 CPU: 14268.9, 0.00294664/step Wall: 14268.9, 0.00294664/step, 0.0590964 hours remaining, 212.789062 MB of memory in use. ENERGY: 4927800 795.9651 1990.3466 1943.6161 109.6364 -205969.3659 17625.1883 0.0000 0.0000 34104.3964 -149400.2171 297.8422 -183504.6135 -149309.0906 298.9663 -119.0885 -88.0571 556778.2570 0.0951 -0.1282 PRESSURE: 4928000 154.567 105.834 11.2337 105.834 197.668 65.9769 11.2334 65.9769 -85.8001 GPRESSURE: 4928000 209.057 36.8381 37.5814 169.494 170.772 109.697 39.2385 60.7339 -8.13761 PRESSAVG: 4928000 3.603 -45.9404 -23.1638 -45.9405 -21.0506 19.0162 -23.1638 19.0162 17.6339 GPRESSAVG: 4928000 3.71979 -46.5945 -22.2346 -43.7485 -21.7076 19.4369 -24.9027 20.8111 17.7606 TIMING: 4928000 CPU: 14269.5, 0.00293595/step Wall: 14269.5, 0.00293595/step, 0.058719 hours remaining, 212.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4928000 731.9920 2102.5937 1941.3612 119.1987 -206579.7542 17775.4000 0.0000 0.0000 34335.3768 -149573.8318 299.8594 -183909.2086 -149477.0752 299.4857 88.8117 123.8970 556752.8231 0.0621 -0.0757 PRESSURE: 4928200 -158.505 -128.181 -131.404 -128.18 -7.76178 -80.7921 -131.404 -80.7926 153.543 GPRESSURE: 4928200 -86.0296 -142.112 -82.65 -92.043 -16.7789 -52.6826 -184.48 -109.099 192.793 PRESSAVG: 4928200 -67.2074 26.8814 -55.2188 26.8814 14.0526 6.70824 -55.2187 6.70822 15.4232 GPRESSAVG: 4928200 -67.033 26.4353 -55.9495 26.4292 13.4169 7.69391 -54.1014 4.08195 15.7095 TIMING: 4928200 CPU: 14270.1, 0.00295828/step Wall: 14270.1, 0.00295828/step, 0.0590013 hours remaining, 212.789062 MB of memory in use. ENERGY: 4928200 781.0115 2091.6736 1943.3564 114.9264 -206457.0341 17835.8267 0.0000 0.0000 34351.5314 -149338.7080 300.0005 -183690.2394 -149247.9425 298.9805 -4.2412 29.9947 557395.1834 -12.5772 -12.6355 LDB: ============= START OF LOAD BALANCING ============== 14273.5 LDB: ============== END OF LOAD BALANCING =============== 14273.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14273.5 LDB: ============= START OF LOAD BALANCING ============== 14273.8 LDB: Largest compute 4800 load 0.027016 is 22.9% of average load 0.117939 LDB: Average compute 0.001722 is 1.5% of average load 0.117939 LDB: TIME 14273.8 LOAD: AVG 0.117939 MAX 0.179621 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.34 MB LDB: TIME 14273.8 LOAD: AVG 0.117939 MAX 0.179621 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.34 MB LDB: TIME 14273.8 LOAD: AVG 0.117939 MAX 0.179621 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.34 MB LDB: ============== END OF LOAD BALANCING =============== 14273.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14273.8 PRESSURE: 4928400 54.9144 90.3768 -94.0346 90.375 -216.786 -33.5457 -94.0348 -33.5467 125.865 GPRESSURE: 4928400 68.8515 17.1921 -177.6 117.939 -173.242 -30.8326 -54.2322 -49.5896 166.882 PRESSAVG: 4928400 -17.8993 6.58079 -50.5804 6.58077 -9.00646 68.9332 -50.5804 68.9332 12.8544 GPRESSAVG: 4928400 -18.6352 6.81947 -48.7779 2.80537 -7.89727 69.0502 -52.6571 70.0054 12.8168 TIMING: 4928400 CPU: 14270.7, 0.00297412/step Wall: 14270.7, 0.00297412/step, 0.0591519 hours remaining, 212.140625 MB of memory in use. ENERGY: 4928400 728.8848 2035.0523 1952.8793 118.2879 -206294.3669 17776.5597 0.0000 0.0000 34254.6823 -149428.0206 299.1547 -183682.7029 -149339.9320 298.7602 -12.0025 20.8303 558031.0721 -4.6838 -4.5719 PRESSURE: 4928600 -468.249 -1.79822 170.003 -1.79909 -78.159 -26.7238 170.004 -26.7241 -542.235 GPRESSURE: 4928600 -389.865 -72.925 116.733 -45.4468 -97.6304 -50.7526 168.941 -17.0877 -502.935 PRESSAVG: 4928600 -48.7256 -42.6937 -47.6793 -42.6937 -53.1796 25.2139 -47.6794 25.2139 99.7785 GPRESSAVG: 4928600 -48.4229 -42.3188 -48.1339 -40.26 -52.7739 24.7868 -47.863 24.7818 98.9936 TIMING: 4928600 CPU: 14271.3, 0.00292705/step Wall: 14271.3, 0.00292705/step, 0.0580532 hours remaining, 212.140625 MB of memory in use. ENERGY: 4928600 807.4106 2030.3094 1984.8918 108.9885 -206045.0474 17470.3350 0.0000 0.0000 34371.1719 -149271.9401 300.1720 -183643.1120 -149180.4248 299.4227 -362.8812 -330.1434 558299.0920 -0.7089 -0.7344 PRESSURE: 4928800 46.2024 -62.6835 28.9926 -62.6821 -87.2795 32.7097 28.9925 32.7087 33.6072 GPRESSURE: 4928800 44.1658 -51.9066 -1.12582 -97.321 -50.3608 35.5951 -16.3397 155.289 84.0495 PRESSAVG: 4928800 24.0781 26.4539 85.822 26.4539 -66.1963 27.4515 85.822 27.4514 33.6795 GPRESSAVG: 4928800 23.5611 25.5341 85.5513 26.0647 -66.3902 25.6803 86.1955 27.5788 34.8025 TIMING: 4928800 CPU: 14271.9, 0.00295879/step Wall: 14271.9, 0.0029588/step, 0.0585184 hours remaining, 212.140625 MB of memory in use. ENERGY: 4928800 757.7479 2076.5638 1989.4392 112.6359 -206335.5959 17799.8577 0.0000 0.0000 34326.8030 -149272.5486 299.7845 -183599.3516 -149186.0506 298.7452 -2.4900 25.9515 556485.4453 -2.8129 -2.6755 PRESSURE: 4929000 53.8648 15.2215 -14.6601 15.2216 -194.364 6.08825 -14.6598 6.08799 -37.5344 GPRESSURE: 4929000 123.77 -1.70725 -86.9532 53.8972 -182.399 -1.48403 9.4788 11.218 -23.7649 PRESSAVG: 4929000 -82.4716 -7.26037 -3.73851 -7.26035 18.8309 -41.9966 -3.73847 -41.9965 104.966 GPRESSAVG: 4929000 -81.633 -8.23588 -3.61341 -7.17755 17.4423 -39.5415 -3.3245 -41.308 105.621 TIMING: 4929000 CPU: 14272.5, 0.00292927/step Wall: 14272.5, 0.00292927/step, 0.0577718 hours remaining, 212.140625 MB of memory in use. ENERGY: 4929000 740.8842 2068.2937 1963.0562 115.9670 -206267.9796 17772.7957 0.0000 0.0000 34307.2321 -149299.7507 299.6136 -183606.9828 -149204.4115 299.0507 -59.3446 -27.4649 556789.6515 13.7750 13.8100 PRESSURE: 4929200 -167.933 86.8608 -124.074 86.8607 -3.33448 -149.595 -124.074 -149.594 -84.9661 GPRESSURE: 4929200 -117.391 123.165 -155.987 92.4299 44.5776 -116.512 -64.3611 -139.566 -78.4936 PRESSAVG: 4929200 -75.1279 49.0998 -30.3238 49.0997 -5.4642 -45.652 -30.324 -45.652 95.0503 GPRESSAVG: 4929200 -74.5544 52.8155 -29.0705 48.4469 -4.25085 -46.5115 -32.296 -45.2104 93.1314 TIMING: 4929200 CPU: 14273, 0.00296498/step Wall: 14273, 0.00296498/step, 0.0583112 hours remaining, 212.140625 MB of memory in use. ENERGY: 4929200 785.2681 2037.3995 1949.9009 110.9185 -206371.8324 17803.7104 0.0000 0.0000 34409.7154 -149274.9197 300.5086 -183684.6351 -149181.3832 298.5337 -85.4113 -50.4355 557875.7048 4.8194 4.7754 PRESSURE: 4929400 -39.9453 63.6889 175.995 63.6873 116.827 -31.4068 175.994 -31.4064 166.441 GPRESSURE: 4929400 55.7044 13.7091 192.697 39.5016 130.858 -5.03708 172.14 -42.4173 145.024 PRESSAVG: 4929400 -45.3138 30.465 -15.3723 30.4649 -51.2175 0.0916824 -15.3723 0.0917289 54.6277 GPRESSAVG: 4929400 -45.5748 27.382 -16.1312 31.5163 -52.5847 -1.44646 -14.4255 0.964584 56.1297 TIMING: 4929400 CPU: 14273.6, 0.00297324/step Wall: 14273.6, 0.00297324/step, 0.0583086 hours remaining, 212.140625 MB of memory in use. ENERGY: 4929400 765.1773 2104.5161 1956.1407 102.1615 -206769.3348 18127.4841 0.0000 0.0000 34343.2078 -149370.6472 299.9278 -183713.8550 -149277.5042 299.3540 81.1075 110.5287 558965.4067 -13.9678 -14.0099 PRESSURE: 4929600 234.407 -41.77 171.922 -41.772 -49.5401 -41.6083 171.922 -41.6095 363.113 GPRESSURE: 4929600 303.895 38.9922 138.614 5.43712 38.8127 -56.6827 141.039 0.455544 316.025 PRESSAVG: 4929600 -7.98006 -49.9532 33.5623 -49.9531 -13.4404 -37.1705 33.5623 -37.1705 8.20249 GPRESSAVG: 4929600 -7.79849 -49.775 32.6334 -51.0625 -12.9326 -36.7849 34.8918 -37.5356 7.96733 TIMING: 4929600 CPU: 14274.2, 0.00292981/step Wall: 14274.2, 0.00292981/step, 0.0572941 hours remaining, 212.140625 MB of memory in use. ENERGY: 4929600 739.1187 2130.4879 1975.8077 113.0631 -206389.2615 18047.1360 0.0000 0.0000 34044.1885 -149339.4597 297.3164 -183383.6482 -149251.0029 299.1468 182.6601 219.5773 557200.9492 -4.4060 -4.2546 PRESSURE: 4929800 -38.5258 -152.817 -155.977 -152.818 -305.43 -99.182 -155.977 -99.1834 50.5509 GPRESSURE: 4929800 -60.429 -100.102 -97.3561 -223.327 -155.869 51.4292 -174.414 -87.2086 18.4232 PRESSAVG: 4929800 16.364 -6.05938 -19.2271 -6.05937 -52.7168 27.6067 -19.227 27.6068 -5.91975 GPRESSAVG: 4929800 15.8266 -6.66832 -19.6548 -5.10653 -52.1096 29.9346 -20.084 27.1106 -5.69087 TIMING: 4929800 CPU: 14274.8, 0.00294221/step Wall: 14274.8, 0.0029422/step, 0.057373 hours remaining, 212.140625 MB of memory in use. ENERGY: 4929800 757.4549 2126.9235 1936.9109 115.4988 -206108.5777 17814.8858 0.0000 0.0000 34026.5052 -149330.3985 297.1619 -183356.9037 -149239.5264 298.4119 -97.8016 -65.9582 559018.3768 -14.0909 -13.9913 PRESSURE: 4930000 74.7846 -4.33972 222.43 -4.33954 -42.98 -23.3137 222.429 -23.3143 177.895 GPRESSURE: 4930000 104.412 9.80487 187.468 -9.46532 -43.309 -151.469 228.113 5.1396 240.324 PRESSAVG: 4930000 28.2951 -31.2492 57.437 -31.2492 -12.7729 -20.1753 57.4369 -20.1753 13.727 GPRESSAVG: 4930000 28.1304 -29.5505 56.664 -31.8513 -12.0817 -22.6822 58.0303 -18.5531 12.9621 TIMING: 4930000 CPU: 14275.4, 0.00293068/step Wall: 14275.4, 0.00293068/step, 0.0569855 hours remaining, 212.140625 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: 4930000 712.3408 2060.6194 1945.6530 115.1684 -206377.4645 17997.5255 0.0000 0.0000 34238.8341 -149307.3234 299.0163 -183546.1575 -149212.8208 298.9127 69.8997 100.4755 558524.2249 9.7497 9.6703 PRESSURE: 4930200 255.069 -44.8476 -4.25308 -44.8483 -75.0041 -18.2645 -4.25324 -18.2661 11.9401 GPRESSURE: 4930200 300.112 6.49971 -51.0026 -77.0002 -56.101 2.85371 -74.3 -117.642 44.2928 PRESSAVG: 4930200 -25.4527 14.0684 38.098 14.0685 45.9694 10.1178 38.098 10.1178 -36.7756 GPRESSAVG: 4930200 -24.639 12.8965 39.9213 15.5538 43.351 10.1083 38.8846 9.23365 -35.147 TIMING: 4930200 CPU: 14276, 0.00294588/step Wall: 14276, 0.00294588/step, 0.0571174 hours remaining, 212.140625 MB of memory in use. ENERGY: 4930200 740.9205 2039.3371 1984.0444 115.5251 -206245.2401 17824.5427 0.0000 0.0000 34359.3974 -149181.4728 300.0692 -183540.8702 -149088.4104 299.0703 64.0018 96.1014 557080.1532 -5.4196 -5.4783 PRESSURE: 4930400 -37.7827 -22.0422 -58.6847 -22.0423 -253.771 165.495 -58.6848 165.494 -98.2854 GPRESSURE: 4930400 58.1764 -41.6961 -80.3118 26.5422 -178.133 156.227 -58.9379 139.295 -176.63 PRESSAVG: 4930400 -16.6135 29.7031 23.8486 29.7032 39.1278 7.35078 23.8486 7.35067 -25.1507 GPRESSAVG: 4930400 -16.4616 30.3086 22.889 28.692 41.0238 9.63956 23.2052 7.857 -27.052 TIMING: 4930400 CPU: 14276.6, 0.0029474/step Wall: 14276.6, 0.0029474/step, 0.056983 hours remaining, 212.140625 MB of memory in use. ENERGY: 4930400 743.6260 2018.2044 1953.2927 133.6747 -205736.1393 17487.0323 0.0000 0.0000 34340.2375 -149060.0718 299.9018 -183400.3093 -148960.3866 299.2595 -129.9465 -98.8621 558499.8158 -0.8788 -0.8299 PRESSURE: 4930600 44.1945 9.21652 -73.8704 9.2161 209.99 35.0091 -73.8714 35.0094 53.818 GPRESSURE: 4930600 60.9344 -1.92879 -103.723 -18.6558 240.72 45.4669 -49.0557 -19.4804 98.5832 PRESSAVG: 4930600 -36.0949 40.6658 -59.9434 40.6659 -63.6461 35.0558 -59.9433 35.0559 62.8023 GPRESSAVG: 4930600 -35.4194 40.2858 -59.5495 39.6344 -64.0638 34.1403 -59.8868 33.7967 62.7999 TIMING: 4930600 CPU: 14277.2, 0.00293967/step Wall: 14277.2, 0.00293967/step, 0.0566704 hours remaining, 212.140625 MB of memory in use. ENERGY: 4930600 706.0778 2013.9022 1937.0770 106.2200 -206037.9757 17820.7457 0.0000 0.0000 34397.1240 -149056.8291 300.3986 -183453.9530 -148958.3575 299.5268 102.6674 133.4124 557078.9710 -12.3129 -12.2278 PRESSURE: 4930800 201.301 93.5405 60.6484 93.5407 -29.8126 51.7658 60.6489 51.7637 185.081 GPRESSURE: 4930800 248.534 69.9512 11.8293 85.0767 -14.2622 6.64057 41.5825 61.435 232.71 PRESSAVG: 4930800 -30.5632 66.5981 21.0416 66.5981 -4.27686 8.15634 21.0415 8.15619 7.66558 GPRESSAVG: 4930800 -32.1222 65.4954 18.1372 68.6817 -3.52352 7.26674 23.011 9.84847 8.53521 TIMING: 4930800 CPU: 14277.7, 0.00291393/step Wall: 14277.7, 0.00291393/step, 0.0560123 hours remaining, 212.140625 MB of memory in use. ENERGY: 4930800 720.4383 2037.0390 1953.1730 95.1567 -206142.5537 17894.7394 0.0000 0.0000 34258.2685 -149183.7388 299.1860 -183442.0073 -149095.7650 299.0982 118.8567 155.6605 556398.7318 -9.0582 -9.0368 PRESSURE: 4931000 151.918 33.0435 -92.9202 33.0437 509.106 -4.54738 -92.9188 -4.55028 79.4312 GPRESSURE: 4931000 152.132 17.6708 -113.438 49.7729 525.28 23.8871 42.038 -24.2075 155.903 PRESSAVG: 4931000 -66.1987 -17.2558 -32.1623 -17.2557 69.6086 -21.1139 -32.1623 -21.114 -9.90539 GPRESSAVG: 4931000 -65.5912 -14.363 -29.7194 -19.0892 69.7796 -20.0355 -32.9904 -21.6267 -10.6521 TIMING: 4931000 CPU: 14278.3, 0.00290106/step Wall: 14278.3, 0.00290107/step, 0.0556038 hours remaining, 212.140625 MB of memory in use. ENERGY: 4931000 702.5018 2104.9913 1950.8055 120.5223 -206204.0022 18066.4373 0.0000 0.0000 34213.7318 -149045.0122 298.7970 -183258.7440 -148944.3299 299.3997 246.8184 277.7715 557137.9411 -2.1651 -2.1546 PRESSURE: 4931200 -206.589 -107.516 -38.0156 -107.518 54.5631 -85.3056 -38.0148 -85.3053 219.548 GPRESSURE: 4931200 -113.787 -152.637 -3.65892 -136.056 63.7918 -19.1121 -73.2274 -156.757 215.482 PRESSAVG: 4931200 5.34102 14.1537 4.91943 14.1537 -15.3706 9.75502 4.91952 9.75505 16.2724 GPRESSAVG: 4931200 5.12633 12.9615 4.89669 12.7772 -14.5206 11.0607 4.51482 7.1797 16.2075 TIMING: 4931200 CPU: 14278.9, 0.00294837/step Wall: 14278.9, 0.00294837/step, 0.0563467 hours remaining, 212.140625 MB of memory in use. ENERGY: 4931200 732.6532 2053.4855 1965.9492 119.1746 -206228.3589 17795.8545 0.0000 0.0000 34471.9298 -149089.3121 301.0519 -183561.2419 -148991.3483 300.1677 22.5074 55.1622 558387.8270 2.0809 2.2711 PRESSURE: 4931400 16.9892 -3.47437 61.5997 -3.474 59.1151 54.1318 61.5994 54.1308 213.006 GPRESSURE: 4931400 25.5139 -60.4617 54.9121 57.8397 59.7111 21.7422 98.5134 62.9688 296.141 PRESSAVG: 4931400 -32.4525 0.672367 8.65986 0.672317 -0.43602 -29.214 8.65985 -29.2141 26.0519 GPRESSAVG: 4931400 -31.3445 -0.197071 8.56368 2.1542 -0.526892 -28.2398 7.60424 -29.1903 25.1337 TIMING: 4931400 CPU: 14279.5, 0.00294295/step Wall: 14279.5, 0.00294295/step, 0.0560796 hours remaining, 212.140625 MB of memory in use. ENERGY: 4931400 766.7197 2069.3488 1961.9477 107.2990 -206330.3918 18003.6378 0.0000 0.0000 34131.8898 -149289.5489 298.0823 -183421.4387 -149197.2137 299.5130 96.3701 127.1220 558330.2626 -2.2789 -2.2459 PRESSURE: 4931600 -13.414 154.31 -105.404 154.311 -104.012 2.31323 -105.402 2.31462 -121.182 GPRESSURE: 4931600 -15.6718 117.157 -27.375 138.746 -31.9671 -50.8478 -160.436 -33.051 -85.107 PRESSAVG: 4931600 -32.2242 -13.819 17.1373 -13.819 0.66328 -5.77106 17.1373 -5.77114 21.1258 GPRESSAVG: 4931600 -32.3574 -13.3233 18.6307 -14.0351 -0.0598084 -7.27975 17.9832 -4.00158 22.0031 TIMING: 4931600 CPU: 14280.1, 0.00292888/step Wall: 14280.1, 0.00292888/step, 0.0556487 hours remaining, 212.140625 MB of memory in use. ENERGY: 4931600 734.9970 2035.2488 1956.1451 112.0815 -206368.6596 17712.7272 0.0000 0.0000 34449.0097 -149368.4503 300.8518 -183817.4600 -149268.0282 298.8802 -79.5361 -44.2487 557588.3276 -3.4784 -3.4714 PRESSURE: 4931800 -119.294 -66.0393 -178.467 -66.0397 -94.3481 95.0868 -178.466 95.0851 19.6045 GPRESSURE: 4931800 -27.2382 -21.2262 -279.81 -75.2466 -55.3924 106.378 -149.586 119.083 -17.3236 PRESSAVG: 4931800 -2.28472 -9.49553 -64.3667 -9.4956 47.8088 20.2501 -64.3667 20.25 -22.3071 GPRESSAVG: 4931800 -2.54569 -8.56273 -64.5331 -9.61585 47.5267 20.9897 -65.6727 20.9473 -21.5554 TIMING: 4931800 CPU: 14280.7, 0.00291305/step Wall: 14280.7, 0.00291305/step, 0.0551861 hours remaining, 212.140625 MB of memory in use. ENERGY: 4931800 748.2236 2076.1570 1940.3596 114.3388 -206193.8347 17749.9238 0.0000 0.0000 34468.4573 -149096.3747 301.0216 -183564.8320 -148992.2304 299.5968 -64.6793 -33.3181 558547.3182 7.7390 7.8085 PRESSURE: 4932000 -10.2048 48.9864 26.5531 48.9858 210.064 -19.919 26.5526 -19.9186 86.8383 GPRESSURE: 4932000 35.8204 17.48 38.5696 48.0432 229.82 -98.6524 54.4213 27.0929 135.789 PRESSAVG: 4932000 -24.2153 34.8457 -68.5831 34.8458 39.6973 11.3163 -68.5832 11.3161 -29.8957 GPRESSAVG: 4932000 -24.0938 34.22 -68.0052 32.9564 40.0738 10.0144 -67.9586 11.7144 -30.8137 TIMING: 4932000 CPU: 14281.3, 0.00290076/step Wall: 14281.3, 0.00290076/step, 0.0547921 hours remaining, 212.140625 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: 4932000 741.7442 2034.8881 1938.5216 116.8325 -206263.0265 18037.7860 0.0000 0.0000 34395.4805 -148997.7736 300.3843 -183393.2541 -148900.6796 300.0376 95.5658 133.8100 557088.5192 -4.8046 -4.9446 PRESSURE: 4932200 100.263 -27.5772 63.8472 -27.5773 81.2116 139.211 63.8483 139.212 -81.8422 GPRESSURE: 4932200 139.623 7.81772 -35.6613 -141.367 112.736 187.695 42.0895 111.736 -52.6797 PRESSAVG: 4932200 14.1957 36.5808 12.1364 36.5809 -7.98054 -26.0958 12.1365 -26.0958 5.9809 GPRESSAVG: 4932200 12.8767 33.8697 11.6498 39.5233 -6.64915 -25.3985 13.5568 -27.0819 5.434 TIMING: 4932200 CPU: 14281.8, 0.00293225/step Wall: 14281.8, 0.00293225/step, 0.0552241 hours remaining, 212.140625 MB of memory in use. ENERGY: 4932200 728.0989 2075.9711 1974.1194 113.9987 -206143.3486 17801.6029 0.0000 0.0000 34391.7110 -149057.8466 300.3514 -183449.5576 -148959.3386 300.4189 33.2108 66.5596 558153.4027 4.0653 3.8872 LDB: ============= START OF LOAD BALANCING ============== 14285.2 LDB: ============== END OF LOAD BALANCING =============== 14285.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14285.2 LDB: ============= START OF LOAD BALANCING ============== 14285.5 LDB: Largest compute 4772 load 0.028926 is 24.5% of average load 0.118042 LDB: Average compute 0.001725 is 1.5% of average load 0.118042 LDB: TIME 14285.5 LOAD: AVG 0.118042 MAX 0.180434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.203 MB LDB: TIME 14285.5 LOAD: AVG 0.118042 MAX 0.180434 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.203 MB LDB: TIME 14285.5 LOAD: AVG 0.118042 MAX 0.180434 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14285.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14285.5 PRESSURE: 4932400 39.6185 60.8078 104.193 60.8077 100.086 13.4022 104.192 13.4028 -205.774 GPRESSURE: 4932400 46.7314 95.464 14.2602 85.9165 132.923 -10.9642 65.8209 65.3849 -155.328 PRESSAVG: 4932400 9.62362 12.9422 1.02571 12.9422 -18.8598 -11.595 1.02575 -11.595 -3.99152 GPRESSAVG: 4932400 9.3337 16.5152 -0.891491 13.5487 -19.7167 -13.2453 -0.174463 -9.6976 -3.65009 TIMING: 4932400 CPU: 14282.4, 0.0029792/step Wall: 14282.4, 0.0029792/step, 0.0559428 hours remaining, 211.769531 MB of memory in use. ENERGY: 4932400 758.8894 2122.4703 1962.0166 109.9772 -205982.0873 17786.2415 0.0000 0.0000 34254.0054 -148988.4869 299.1487 -183242.4923 -148892.0287 300.0117 -22.0229 8.1088 557843.0114 -4.4092 -4.6777 PRESSURE: 4932600 -26.427 -51.8182 -12.6921 -51.8186 -23.5552 110.279 -12.6911 110.28 -230.449 GPRESSURE: 4932600 9.73451 -76.2079 -71.1229 -86.2262 21.3944 106.788 43.6397 139.335 -227.165 PRESSAVG: 4932600 11.5148 -8.95553 41.7395 -8.95552 35.6286 10.358 41.7395 10.358 -70.0727 GPRESSAVG: 4932600 11.7101 -9.25529 42.3477 -9.67461 35.9656 13.7422 41.6236 8.80945 -70.3105 TIMING: 4932600 CPU: 14283, 0.00294936/step Wall: 14283, 0.00294936/step, 0.0552185 hours remaining, 211.769531 MB of memory in use. ENERGY: 4932600 758.6091 2126.8527 1956.8960 118.6021 -206176.5497 17840.9131 0.0000 0.0000 34398.2727 -148976.4041 300.4087 -183374.6768 -148877.5846 299.3839 -93.4769 -65.3455 558028.9597 -7.6431 -7.5449 PRESSURE: 4932800 -137.758 -18.1167 30.7951 -18.1161 69.0697 -124.802 30.7955 -124.803 35.5226 GPRESSURE: 4932800 -114.785 23.1612 15.6108 -32.5078 92.6656 -64.8565 114.803 -33.6079 77.9359 PRESSAVG: 4932800 16.8464 -45.9576 31.8605 -45.9577 41.8487 17.3132 31.8606 17.3131 -47.2938 GPRESSAVG: 4932800 16.5234 -47.3556 33.0624 -47.2338 41.5408 17.4589 32.2659 17.1391 -47.0546 TIMING: 4932800 CPU: 14283.6, 0.00290148/step Wall: 14283.6, 0.00290148/step, 0.054161 hours remaining, 211.769531 MB of memory in use. ENERGY: 4932800 740.0437 2115.6049 1963.0186 105.0635 -205922.6136 17728.4116 0.0000 0.0000 34261.4946 -149008.9768 299.2142 -183270.4714 -148914.3006 299.7674 -11.0552 18.6055 558656.8936 3.8004 3.6699 PRESSURE: 4933000 119.455 49.2313 -47.7071 49.2301 -158.223 237.694 -47.707 237.693 87.5263 GPRESSURE: 4933000 157.343 70.977 -3.21489 69.6975 -82.0002 142.635 -20.5223 277.567 73.8973 PRESSAVG: 4933000 46.4339 -44.4605 26.0621 -44.4606 44.8129 8.46376 26.0621 8.46372 -62.0647 GPRESSAVG: 4933000 47.3459 -42.1979 26.2585 -45.2159 43.9681 7.76234 25.593 9.64646 -62.1237 TIMING: 4933000 CPU: 14284.2, 0.00292275/step Wall: 14284.2, 0.00292275/step, 0.0543956 hours remaining, 211.769531 MB of memory in use. ENERGY: 4933000 770.2883 2108.0870 1958.3950 113.6516 -206485.6806 17966.4672 0.0000 0.0000 34487.0400 -149081.7515 301.1839 -183568.7915 -148988.5697 299.7886 16.2530 49.7466 557589.6854 9.7273 9.7301 PRESSURE: 4933200 21.1055 -18.5449 -52.8005 -18.5448 162.664 -55.4956 -52.8009 -55.4969 -78.3573 GPRESSURE: 4933200 21.2334 -0.725861 22.6823 -92.959 220.586 -103.293 -74.3028 -39.2785 -34.1415 PRESSAVG: 4933200 3.43303 -47.9554 -8.70623 -47.9554 6.69756 9.4102 -8.70623 9.41019 -43.3468 GPRESSAVG: 4933200 3.86713 -49.726 -11.1797 -45.8364 6.47725 9.94776 -7.78809 8.55727 -43.1284 TIMING: 4933200 CPU: 14284.8, 0.00292504/step Wall: 14284.8, 0.00292504/step, 0.0542758 hours remaining, 211.769531 MB of memory in use. ENERGY: 4933200 778.1848 2133.1284 1949.3534 121.6425 -206266.2713 17818.9741 0.0000 0.0000 34087.6786 -149377.3094 297.6962 -183464.9881 -149282.8770 299.1597 35.1375 69.2260 556594.7600 -11.0721 -10.9280 PRESSURE: 4933400 181.276 -43.9194 -107.655 -43.9196 -125.467 109.953 -107.655 109.953 41.9373 GPRESSURE: 4933400 242.732 -65.9433 -21.3453 -67.1004 -129.935 77.4284 -139.471 177.949 68.5459 PRESSAVG: 4933400 35.402 -24.831 12.6726 -24.8311 -35.2663 3.84706 12.6726 3.84698 -9.65427 GPRESSAVG: 4933400 35.5683 -23.3266 15.0687 -25.4525 -34.1301 2.53768 12.1961 5.2367 -10.5961 TIMING: 4933400 CPU: 14285.4, 0.00292236/step Wall: 14285.4, 0.00292236/step, 0.0540636 hours remaining, 211.769531 MB of memory in use. ENERGY: 4933400 724.6411 2106.0133 1962.4400 119.6207 -206384.2379 17885.0097 0.0000 0.0000 34151.5789 -149434.9342 298.2542 -183586.5131 -149334.6610 298.4578 32.5822 60.4479 556327.5648 -3.1729 -3.0526 PRESSURE: 4933600 123.196 -85.5273 -185.108 -85.527 273.584 74.3022 -185.109 74.3017 -75.8546 GPRESSURE: 4933600 166.305 -147.72 -103.763 -22.111 270.382 75.1734 -229.273 45.5038 -9.198 PRESSAVG: 4933600 -26.9349 -60.2911 -21.2165 -60.2913 102.662 -46.5139 -21.2164 -46.5139 -11.7236 GPRESSAVG: 4933600 -27.0084 -59.5266 -21.5701 -59.1164 102.675 -45.2607 -22.3225 -48.5351 -11.8428 TIMING: 4933600 CPU: 14285.9, 0.00292849/step Wall: 14285.9, 0.00292849/step, 0.0540144 hours remaining, 211.769531 MB of memory in use. ENERGY: 4933600 734.5265 2033.9690 1953.4320 118.7796 -206345.6171 17936.6756 0.0000 0.0000 34148.6029 -149419.6315 298.2282 -183568.2344 -149318.5866 298.4267 106.9753 142.4963 557711.4062 21.3345 21.2745 PRESSURE: 4933800 4.81525 -126.565 -156.073 -126.565 40.9927 291.554 -156.074 291.553 -46.3706 GPRESSURE: 4933800 27.2283 -180.487 -186.879 -74.5105 77.6582 312.678 -188.636 275.784 -8.66566 PRESSAVG: 4933800 -34.5105 -25.5044 10.2571 -25.5044 81.3589 23.4369 10.2571 23.4368 -37.4309 GPRESSAVG: 4933800 -35.5367 -26.3449 9.57221 -27.5195 82.1869 25.1357 11.233 23.898 -37.3802 TIMING: 4933800 CPU: 14286.5, 0.00293373/step Wall: 14286.5, 0.00293373/step, 0.053948 hours remaining, 211.769531 MB of memory in use. ENERGY: 4933800 779.1396 2106.1787 1944.2996 110.2510 -206434.6387 17928.5632 0.0000 0.0000 34075.7934 -149490.4132 297.5924 -183566.2065 -149394.6903 298.1141 -0.1875 32.0736 558010.5758 3.1392 3.0900 PRESSURE: 4934000 140.548 0.393537 17.8747 0.394837 166.302 -145.54 17.8741 -145.539 -10.045 GPRESSURE: 4934000 186.146 -14.3211 -65.961 -56.2005 235.647 -195.916 62.3348 -144.705 -23.1706 PRESSAVG: 4934000 -50.9035 -15.8028 13.3308 -15.8029 70.5611 28.6736 13.3307 28.6737 -43.547 GPRESSAVG: 4934000 -50.4997 -16.9723 13.8478 -13.6199 69.9984 27.2329 13.647 29.7966 -43.9864 TIMING: 4934000 CPU: 14287.1, 0.00290511/step Wall: 14287.1, 0.00290511/step, 0.0532603 hours remaining, 211.769531 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: 4934000 780.9602 2090.0869 1952.2421 118.3607 -206623.5618 18093.1422 0.0000 0.0000 34163.0816 -149425.6881 298.3547 -183588.7697 -149339.5890 298.4363 98.9350 132.8740 556837.6066 -7.9631 -8.1626 PRESSURE: 4934200 -109.651 -130.6 -46.8462 -130.6 -222.815 63.9404 -46.8446 63.9392 -347.417 GPRESSURE: 4934200 -68.0225 -47.1936 -55.5208 -116.369 -198.42 32.2914 -51.0632 62.6741 -314.412 PRESSAVG: 4934200 -3.69121 -32.2869 47.4769 -32.2868 5.58776 20.5658 47.4769 20.5658 3.23885 GPRESSAVG: 4934200 -3.91238 -32.7424 45.8295 -32.0279 5.59702 18.6034 45.9248 18.8953 3.49445 TIMING: 4934200 CPU: 14287.7, 0.00290514/step Wall: 14287.7, 0.00290515/step, 0.0530996 hours remaining, 211.769531 MB of memory in use. ENERGY: 4934200 727.5047 2060.3820 1932.3394 113.9429 -205860.9098 17503.1917 0.0000 0.0000 34102.5903 -149420.9587 297.8264 -183523.5490 -149315.6364 298.9696 -226.6278 -193.6183 557516.7477 1.7118 1.7264 PRESSURE: 4934400 79.8982 -48.9451 35.3128 -48.9451 -98.1042 142.581 35.3146 142.581 -58.6707 GPRESSURE: 4934400 114.461 -37.4268 82.7621 -102.703 -32.1064 150.985 70.9563 74.1744 -77.5564 PRESSAVG: 4934400 42.7804 -13.0175 -5.15482 -13.0175 27.8294 -3.91816 -5.1548 -3.91818 -96.64 GPRESSAVG: 4934400 43.1644 -14.576 -4.67976 -13.6472 27.0084 -0.739073 -4.29239 -1.34816 -96.7472 TIMING: 4934400 CPU: 14288.3, 0.00287834/step Wall: 14288.3, 0.00287834/step, 0.0524497 hours remaining, 211.769531 MB of memory in use. ENERGY: 4934400 756.9503 2111.4866 1949.4426 114.2138 -206154.9232 17765.2727 0.0000 0.0000 34201.4309 -149256.1262 298.6896 -183457.5571 -149160.0833 298.8824 -25.6255 1.5995 556047.1525 -8.6767 -8.8582 PRESSURE: 4934600 73.3835 -187.206 80.8365 -187.206 173.602 -55.196 80.8374 -55.1958 -10.8795 GPRESSURE: 4934600 122.357 -156.02 104.219 -273.899 168.197 -2.6422 19.005 -57.3958 39.8913 PRESSAVG: 4934600 -15.659 -25.3802 21.4155 -25.3802 51.3083 11.3408 21.4156 11.3408 -39.0253 GPRESSAVG: 4934600 -15.6919 -21.2406 23.9455 -27.8018 49.9109 9.29436 19.9766 8.91971 -37.7116 TIMING: 4934600 CPU: 14288.9, 0.00289156/step Wall: 14288.9, 0.00289155/step, 0.0525299 hours remaining, 211.769531 MB of memory in use. ENERGY: 4934600 745.2374 2116.3933 1957.5066 113.4321 -206183.1236 17731.4108 0.0000 0.0000 34249.0718 -149270.0716 299.1057 -183519.1434 -149174.7794 299.4135 78.7022 110.1485 555596.3469 -1.1254 -1.1642 PRESSURE: 4934800 -260.005 107.623 72.4721 107.624 -195.137 51.3207 72.4724 51.3192 -14.0951 GPRESSURE: 4934800 -179.575 22.9245 141.355 169.51 -151.793 78.9796 -42.8197 -34.4815 -31.139 PRESSAVG: 4934800 101.806 -26.2286 3.5298 -26.2287 8.37934 61.416 3.52978 61.416 -87.8251 GPRESSAVG: 4934800 101.346 -26.1969 1.94563 -25.2356 8.68981 61.3937 6.38872 62.2087 -87.4571 TIMING: 4934800 CPU: 14289.4, 0.00290394/step Wall: 14289.4, 0.00290394/step, 0.0525937 hours remaining, 211.769531 MB of memory in use. ENERGY: 4934800 764.4914 2102.5177 1916.8867 124.3778 -206258.8459 17613.5231 0.0000 0.0000 34243.7314 -149493.3179 299.0590 -183737.0493 -149391.3284 299.1290 -156.4122 -120.8357 556330.9306 7.4534 7.5262 PRESSURE: 4935000 280.807 12.6437 28.7076 12.6438 97.304 16.0076 28.7074 16.0059 160.55 GPRESSURE: 4935000 324.92 -75.1653 39.0964 79.0748 122.925 -12.2417 10.6094 -15.6249 182.16 PRESSAVG: 4935000 40.5952 -10.3613 -62.0926 -10.3612 -38.1102 -6.17447 -62.0926 -6.17441 12.51 GPRESSAVG: 4935000 41.7404 -13.3048 -61.4924 -7.65101 -36.8348 -6.29569 -63.1565 -7.4504 10.6066 TIMING: 4935000 CPU: 14290, 0.00292145/step Wall: 14290, 0.00292145/step, 0.0527485 hours remaining, 211.769531 MB of memory in use. ENERGY: 4935000 687.0899 2107.0179 1945.1580 106.7069 -206276.3932 17899.8419 0.0000 0.0000 34169.8055 -149360.7729 298.4134 -183530.5784 -149264.5319 298.6882 179.5535 210.0015 555217.6541 4.9983 5.1708 PRESSURE: 4935200 -448.769 -13.4995 -96.1009 -13.4995 -43.1403 -24.6485 -96.0999 -24.6492 144.08 GPRESSURE: 4935200 -339.129 -20.1038 -38.3099 -98.2055 -31.4861 -63.9401 -216.609 20.3458 111.961 PRESSAVG: 4935200 -13.4224 -23.2787 12.3207 -23.2786 -34.7722 -14.1062 12.3208 -14.1062 27.3466 GPRESSAVG: 4935200 -13.9652 -22.6347 13.8046 -25.3994 -34.9111 -14.4781 12.0953 -12.7429 28.0221 TIMING: 4935200 CPU: 14290.6, 0.00291084/step Wall: 14290.6, 0.00291084/step, 0.0523952 hours remaining, 211.769531 MB of memory in use. ENERGY: 4935200 707.7357 2122.2040 1972.7107 110.2847 -206410.6021 17721.1559 0.0000 0.0000 34328.7380 -149447.7730 299.8014 -183776.5110 -149348.2606 299.0382 -115.9434 -86.2179 555967.4046 -6.9493 -6.9514 PRESSURE: 4935400 226.145 -74.2635 5.27049 -74.2638 -114.029 85.7739 5.26919 85.7757 -140.666 GPRESSURE: 4935400 234.572 -53.6846 46.4193 -139.557 -75.3367 118.377 -18.3479 57.7875 -80.3558 PRESSAVG: 4935400 -28.324 14.568 39.0424 14.5681 -6.99776 -10.9121 39.0424 -10.9121 -14.0685 GPRESSAVG: 4935400 -29.5385 17.5026 38.1994 14.9669 -5.61964 -11.9719 38.3684 -9.49009 -13.5524 TIMING: 4935400 CPU: 14291.2, 0.00290849/step Wall: 14291.2, 0.00290849/step, 0.0521913 hours remaining, 211.769531 MB of memory in use. ENERGY: 4935400 770.5382 2121.4995 1965.4831 110.0842 -205970.2187 17552.1206 0.0000 0.0000 33964.8707 -149485.6223 296.6237 -183450.4930 -149389.4490 299.3168 -9.5166 26.2932 555657.1132 -16.4634 -16.2368 PRESSURE: 4935600 -192.446 14.9899 96.7696 14.9881 -144.903 7.34747 96.7691 7.34931 -242.116 GPRESSURE: 4935600 -156.687 -19.138 136.068 120.698 -104.748 65.2551 71.2334 -46.2912 -218.29 PRESSAVG: 4935600 40.0226 50.5971 -0.948376 50.5972 15.0883 -27.0933 -0.948444 -27.0933 -53.9134 GPRESSAVG: 4935600 40.2231 48.6466 -0.526547 51.5709 15.1215 -26.3816 -1.13035 -29.3827 -54.0691 TIMING: 4935600 CPU: 14291.8, 0.00290278/step Wall: 14291.8, 0.00290278/step, 0.0519276 hours remaining, 211.769531 MB of memory in use. ENERGY: 4935600 787.0334 2131.1811 1968.1169 115.7199 -206167.4923 17615.3728 0.0000 0.0000 34019.6051 -149530.4632 297.1017 -183550.0683 -149439.7033 298.7021 -193.1551 -159.9082 557302.7653 0.3992 0.4252 PRESSURE: 4935800 -204.847 10.1892 83.7395 10.1883 99.2663 118.255 83.7379 118.255 -303.712 GPRESSURE: 4935800 -187.765 34.3755 159.929 60.5602 118.37 44.44 -54.0453 23.7803 -244.395 PRESSAVG: 4935800 19.3301 50.5544 -11.7355 50.5544 12.8687 -39.7346 -11.7356 -39.7345 -2.76843 GPRESSAVG: 4935800 19.4062 50.6602 -12.8579 49.2009 12.1976 -37.6962 -10.3465 -39.9492 -2.53645 TIMING: 4935800 CPU: 14292.3, 0.00291035/step Wall: 14292.3, 0.00291035/step, 0.0519012 hours remaining, 211.769531 MB of memory in use. ENERGY: 4935800 724.0933 2124.3951 1948.8329 127.7026 -206175.8737 17672.3485 0.0000 0.0000 34014.8168 -149563.6846 297.0599 -183578.5014 -149467.5626 298.2753 -136.4309 -104.5965 556817.6776 9.8101 9.6891 PRESSURE: 4936000 -171.581 89.2774 187.829 89.2769 -72.1547 68.3903 187.83 68.3891 -214.234 GPRESSURE: 4936000 -106.673 80.4588 217.929 102.691 -69.3599 83.6734 223.246 -35.4548 -165.253 PRESSAVG: 4936000 -49.7971 -10.4432 0.718587 -10.4432 36.1428 -29.9997 0.718526 -29.9996 -24.5948 GPRESSAVG: 4936000 -49.2048 -10.0925 1.4306 -8.78571 34.5113 -30.5848 0.96303 -30.0873 -24.166 TIMING: 4936000 CPU: 14292.9, 0.00292248/step Wall: 14292.9, 0.00292248/step, 0.0519553 hours remaining, 211.769531 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: 4936000 698.3414 2104.7070 1951.5441 120.1200 -206464.9983 17687.4289 0.0000 0.0000 34332.2325 -149570.6244 299.8319 -183902.8569 -149472.0592 298.4598 -152.6565 -113.7619 557822.0915 -12.7497 -12.9532 PRESSURE: 4936200 125.115 -35.2067 -13.5525 -35.2073 -73.8851 -56.5804 -13.5528 -56.5808 89.3825 GPRESSURE: 4936200 166.743 43.6587 -80.2279 -83.7671 -52.8364 3.29923 24.3198 -49.7608 122.198 PRESSAVG: 4936200 -93.8468 -22.9498 42.8766 -22.9498 106.776 -2.86047 42.8766 -2.86056 6.3169 GPRESSAVG: 4936200 -94.1365 -22.6829 43.9596 -23.2392 107.865 -1.89625 42.4657 -4.08014 5.53881 TIMING: 4936200 CPU: 14293.5, 0.00290866/step Wall: 14293.5, 0.00290866/step, 0.0515479 hours remaining, 211.886719 MB of memory in use. ENERGY: 4936200 732.6798 2145.2507 1944.2210 108.7163 -206559.6168 17926.0624 0.0000 0.0000 34190.4212 -149512.2654 298.5935 -183702.6866 -149412.5818 298.4536 46.8709 78.7017 556292.6763 6.4154 6.4224 LDB: ============= START OF LOAD BALANCING ============== 14296.9 LDB: ============== END OF LOAD BALANCING =============== 14296.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14296.9 LDB: ============= START OF LOAD BALANCING ============== 14297.2 LDB: Largest compute 4772 load 0.028084 is 23.8% of average load 0.118007 LDB: Average compute 0.001718 is 1.5% of average load 0.118007 LDB: TIME 14297.2 LOAD: AVG 0.118007 MAX 0.180631 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.285 MB LDB: TIME 14297.2 LOAD: AVG 0.118007 MAX 0.180631 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.285 MB LDB: TIME 14297.2 LOAD: AVG 0.118007 MAX 0.180631 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.285 MB LDB: ============== END OF LOAD BALANCING =============== 14297.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14297.2 PRESSURE: 4936400 38.4651 -89.6276 -0.184197 -89.6266 48.4579 65.7459 -0.185269 65.7453 -5.41735 GPRESSURE: 4936400 83.7912 -6.84676 -21.7054 -96.0424 51.1674 43.3947 -9.84975 98.9127 48.3431 PRESSAVG: 4936400 2.05932 -33.8809 -12.4625 -33.881 -9.7191 0.994337 -12.4625 0.994315 28.3201 GPRESSAVG: 4936400 1.50587 -33.234 -14.5413 -35.2329 -9.7839 0.137019 -12.9458 2.60813 29.5014 TIMING: 4936400 CPU: 14294.1, 0.00297219/step Wall: 14294.1, 0.00297219/step, 0.0525087 hours remaining, 212.792969 MB of memory in use. ENERGY: 4936400 697.1181 2084.5311 1927.8973 115.8467 -206240.4759 17753.6321 0.0000 0.0000 34129.6174 -149531.8332 298.0624 -183661.4506 -149424.1793 298.4301 27.1686 61.1006 556606.3656 6.8868 7.0745 PRESSURE: 4936600 -202.378 44.0269 -81.5493 44.0268 -242.457 121.028 -81.5497 121.029 -208.562 GPRESSURE: 4936600 -174.649 -10.7777 -101.266 29.2463 -216.82 142.951 -72.3126 49.887 -142.124 PRESSAVG: 4936600 -14.8433 27.0336 23.1398 27.0336 53.639 19.807 23.1398 19.8071 -44.9035 GPRESSAVG: 4936600 -14.1009 26.4276 21.6093 26.433 53.4926 19.4984 24.0921 20.2141 -45.3218 TIMING: 4936600 CPU: 14294.7, 0.00291257/step Wall: 14294.7, 0.00291257/step, 0.0512935 hours remaining, 212.992188 MB of memory in use. ENERGY: 4936600 749.6774 2065.1074 1948.4877 114.2080 -205891.8249 17417.3352 0.0000 0.0000 34000.5996 -149596.4097 296.9357 -183597.0093 -149494.0661 298.4762 -217.7992 -177.8643 556106.7277 -2.0359 -1.9767 PRESSURE: 4936800 191.995 -15.5153 -67.9873 -15.5145 156.103 -101.231 -67.9864 -101.231 235.395 GPRESSURE: 4936800 151.322 -47.0776 -115.271 65.9534 222.981 -59.6178 -93.7753 -69.4539 305.983 PRESSAVG: 4936800 6.29524 -43.6211 -41.1742 -43.6212 -21.032 5.13817 -41.1743 5.13808 -6.42627 GPRESSAVG: 4936800 4.63697 -44.5738 -38.6453 -41.1252 -21.2053 6.62955 -42.1316 3.5673 -4.93932 TIMING: 4936800 CPU: 14295.3, 0.00290761/step Wall: 14295.3, 0.00290761/step, 0.0510447 hours remaining, 213.062500 MB of memory in use. ENERGY: 4936800 759.3127 2049.8571 1963.6354 104.4503 -206952.0091 18265.9579 0.0000 0.0000 34256.9260 -149551.8696 299.1743 -183808.7957 -149455.8032 298.8356 194.4977 226.7620 556060.7478 -7.0543 -7.1692 PRESSURE: 4937000 -94.4355 179.881 -116.973 179.88 4.31205 77.8681 -116.973 77.8685 13.1872 GPRESSURE: 4937000 -99.7318 246.364 -89.2965 32.2874 43.019 168.523 -68.7651 57.6195 66.5656 PRESSAVG: 4937000 -101.098 -5.41503 -26.2808 -5.41506 9.3376 -60.0218 -26.2809 -60.0217 100.125 GPRESSAVG: 4937000 -100.032 -3.35437 -25.5937 -7.66103 8.65919 -63.8584 -24.9368 -58.6973 99.4033 TIMING: 4937000 CPU: 14295.8, 0.0029095/step Wall: 14295.8, 0.0029095/step, 0.0509163 hours remaining, 213.062500 MB of memory in use. ENERGY: 4937000 762.0125 2066.8923 1931.2655 102.1632 -206321.5622 17736.7878 0.0000 0.0000 34192.9242 -149529.5168 298.6153 -183722.4410 -149439.6707 298.6460 -25.6454 3.2843 555938.4973 2.7882 2.6767 PRESSURE: 4937200 -65.0735 115.881 68.6028 115.881 287.975 -151.862 68.6025 -151.862 19.3572 GPRESSURE: 4937200 8.14238 110.199 196.761 76.3098 267.483 -200.362 6.59931 -132.684 68.3793 PRESSAVG: 4937200 -38.8732 9.50523 -2.22502 9.50516 -1.10081 -16.9428 -2.22502 -16.9426 44.7406 GPRESSAVG: 4937200 -38.9572 9.89978 -4.05256 8.6228 0.104064 -15.5788 -3.52757 -15.2806 43.2112 TIMING: 4937200 CPU: 14296.4, 0.00291304/step Wall: 14296.4, 0.00291304/step, 0.0508163 hours remaining, 213.062500 MB of memory in use. ENERGY: 4937200 735.7611 2062.2969 1961.0460 113.9824 -206416.5640 18062.1717 0.0000 0.0000 34176.4160 -149304.8899 298.4711 -183481.3059 -149208.1281 299.3624 80.7527 114.6681 556692.5394 1.5888 1.4527 PRESSURE: 4937400 56.7265 -46.7245 11.6453 -46.7236 141.327 29.4469 11.6464 29.4462 -232.708 GPRESSURE: 4937400 66.2788 -46.1942 8.00796 46.9328 168.266 9.95783 -7.41699 54.9737 -171.796 PRESSAVG: 4937400 -26.9103 -31.3851 -22.9594 -31.3851 -10.4984 -26.1707 -22.9595 -26.1707 -0.210609 GPRESSAVG: 4937400 -27.2857 -32.3704 -24.4493 -29.2662 -11.7194 -27.4816 -21.9328 -26.8871 0.932513 TIMING: 4937400 CPU: 14297, 0.00291246/step Wall: 14297, 0.00291246/step, 0.0506444 hours remaining, 213.062500 MB of memory in use. ENERGY: 4937400 745.3463 2017.6145 1946.3466 100.9765 -205906.5376 17685.7950 0.0000 0.0000 34196.3645 -149214.0942 298.6454 -183410.4587 -149109.2751 299.7980 -11.5516 20.9163 556896.4972 -12.5398 -12.6909 PRESSURE: 4937600 34.0052 -27.6164 -38.5307 -27.6169 -65.6167 -183.099 -38.5308 -183.101 72.0358 GPRESSURE: 4937600 43.455 -76.6333 -61.9778 -33.1855 -33.4014 -199.967 -101.625 -182.003 124.635 PRESSAVG: 4937600 10.3413 -1.11171 -14.2342 -1.11176 23.9847 73.9677 -14.2342 73.9676 -10.2466 GPRESSAVG: 4937600 10.7533 -0.717596 -12.6246 -1.8785 24.7638 74.9845 -16.6795 72.6876 -11.4329 TIMING: 4937600 CPU: 14297.6, 0.00290079/step Wall: 14297.6, 0.00290079/step, 0.0502803 hours remaining, 213.062500 MB of memory in use. ENERGY: 4937600 736.0773 2060.0947 1954.6210 115.3427 -206089.1186 17909.0963 0.0000 0.0000 34121.6221 -149192.2644 297.9926 -183313.8864 -149093.9130 299.6975 13.4748 44.8963 557352.9237 8.0265 8.0281 PRESSURE: 4937800 -105.869 103.028 -135.631 103.027 -104.681 -21.9795 -135.632 -21.9803 138.436 GPRESSURE: 4937800 -92.3352 33.6686 -127.92 88.2039 -90.6567 -36.7343 25.1112 22.9431 215.461 PRESSAVG: 4937800 14.5419 40.7327 -44.8176 40.7327 -0.0218585 -14.108 -44.8176 -14.108 31.741 GPRESSAVG: 4937800 14.7526 41.0125 -45.2122 40.7722 -0.607296 -14.3811 -43.5333 -12.969 32.2384 TIMING: 4937800 CPU: 14298.2, 0.00291616/step Wall: 14298.2, 0.00291616/step, 0.0503848 hours remaining, 213.062500 MB of memory in use. ENERGY: 4937800 761.9506 2035.4411 1951.4784 113.0573 -206352.2992 17861.9812 0.0000 0.0000 34396.2185 -149232.1721 300.3907 -183628.3907 -149137.6830 299.4392 -24.0382 10.8230 557216.2215 15.4204 15.4612 PRESSURE: 4938000 -64.0352 -14.4159 -169.269 -14.4165 -297.515 43.4269 -169.269 43.4275 63.8192 GPRESSURE: 4938000 -3.54764 -25.6242 -121.173 -6.92743 -250.205 68.9739 -170.607 51.2471 63.5674 PRESSAVG: 4938000 -1.74844 14.6059 49.0381 14.6059 2.99725 60.6014 49.038 60.6013 -15.8136 GPRESSAVG: 4938000 -2.0371 13.9277 48.0311 12.6997 3.06865 61.6438 52.0883 60.0526 -15.8694 TIMING: 4938000 CPU: 14298.8, 0.00292479/step Wall: 14298.8, 0.00292479/step, 0.0503713 hours remaining, 213.062500 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: 4938000 743.7856 2071.6532 1973.6025 107.9722 -206247.3082 17795.5354 0.0000 0.0000 34024.2507 -149530.5084 297.1422 -183554.7592 -149431.1986 299.5812 -99.2436 -63.3951 558772.9820 -4.8549 -4.9460 PRESSURE: 4938200 -175.237 33.689 -173.558 33.6888 -131.814 -23.5733 -173.558 -23.5747 144.802 GPRESSURE: 4938200 -60.2918 -75.3217 -252.678 68.5702 -96.4964 28.3948 -167.811 -92.0874 89.899 PRESSAVG: 4938200 -26.0433 -13.9127 -19.175 -13.9127 -52.1687 3.10086 -19.1751 3.10081 79.5343 GPRESSAVG: 4938200 -25.4806 -14.6764 -17.9836 -11.9384 -52.637 3.86198 -23.2023 1.82629 79.4175 TIMING: 4938200 CPU: 14299.3, 0.0029028/step Wall: 14299.3, 0.0029028/step, 0.0498314 hours remaining, 213.062500 MB of memory in use. ENERGY: 4938200 784.9676 2042.2050 1954.7375 100.9505 -206012.9968 17712.4021 0.0000 0.0000 34049.1010 -149368.6332 297.3593 -183417.7342 -149271.9857 298.0829 -54.0828 -22.2964 557622.1937 0.4407 0.4333 PRESSURE: 4938400 -312.67 65.6498 -133.404 65.6496 -323.185 -49.5768 -133.404 -49.5772 -375.542 GPRESSURE: 4938400 -264.196 128.522 -72.9669 96.4965 -296.933 -74.7178 -147.557 -41.48 -342.753 PRESSAVG: 4938400 10.8297 -21.8914 -29.1525 -21.8914 -41.4152 -2.88293 -29.1525 -2.88294 13.4747 GPRESSAVG: 4938400 10.279 -21.2788 -30.6023 -22.2302 -40.08 -3.74915 -25.9822 -2.77025 13.07 TIMING: 4938400 CPU: 14299.9, 0.00291714/step Wall: 14299.9, 0.00291714/step, 0.0499154 hours remaining, 213.062500 MB of memory in use. ENERGY: 4938400 791.0399 2052.4341 1973.2949 122.7962 -205511.4613 17316.4155 0.0000 0.0000 34027.5997 -149227.8810 297.1715 -183255.4807 -149127.6339 299.0599 -337.1324 -301.2940 557278.4731 -5.7036 -5.5770 PRESSURE: 4938600 24.5903 9.26098 143.412 9.26188 205.861 189.435 143.412 189.437 -281.5 GPRESSURE: 4938600 79.1332 -15.8956 169.71 42.6536 248.184 244.306 124.104 177.579 -289.918 PRESSAVG: 4938600 14.7392 22.2497 -5.36147 22.2497 -47.0156 -13.6333 -5.36137 -13.6332 22.6418 GPRESSAVG: 4938600 15.1947 23.021 -4.75126 22.6878 -48.4132 -14.5363 -8.24258 -12.9695 23.6879 TIMING: 4938600 CPU: 14300.5, 0.00292929/step Wall: 14300.5, 0.00292929/step, 0.0499607 hours remaining, 213.062500 MB of memory in use. ENERGY: 4938600 728.4738 2094.1352 1950.5504 120.0740 -206143.3715 17863.4400 0.0000 0.0000 34196.2918 -149190.4064 298.6447 -183386.6981 -149091.6137 299.7668 -17.0164 12.4665 557807.9239 -3.2115 -3.1769 PRESSURE: 4938800 -41.9332 113.439 86.3318 113.44 -219.566 25.7457 86.3335 25.7466 302.416 GPRESSURE: 4938800 28.7033 62.4626 81.4912 140.117 -171.652 108.675 35.4115 -19.1735 291.686 PRESSAVG: 4938800 72.9676 49.4012 22.9832 49.4013 -47.0749 -5.2209 22.9831 -5.22081 -37.4918 GPRESSAVG: 4938800 71.9257 48.9999 21.9427 48.0535 -45.6757 -4.65267 23.4653 -5.34758 -37.8733 TIMING: 4938800 CPU: 14301.1, 0.00293793/step Wall: 14301.1, 0.00293793/step, 0.0499449 hours remaining, 213.062500 MB of memory in use. ENERGY: 4938800 753.9759 2062.8566 1978.3502 127.5379 -206121.0774 17856.1825 0.0000 0.0000 34118.7487 -149223.4257 297.9675 -183342.1744 -149124.9164 299.1965 13.6389 49.5793 558111.9980 -3.8664 -3.8744 PRESSURE: 4939000 123.76 13.3396 -17.6043 13.3393 -196.342 -16.8062 -17.6041 -16.8074 -77.4891 GPRESSURE: 4939000 145.508 -31.4796 16.1395 20.6787 -191.993 -87.031 24.9511 108.767 -10.5578 PRESSAVG: 4939000 -9.37202 -39.1676 67.4261 -39.1677 -34.7565 41.2772 67.426 41.2772 -15.6738 GPRESSAVG: 4939000 -8.60102 -39.7362 68.1096 -38.6239 -35.3584 43.2861 66.4627 40.8857 -15.8454 TIMING: 4939000 CPU: 14301.7, 0.00291939/step Wall: 14301.7, 0.00291939/step, 0.0494674 hours remaining, 213.062500 MB of memory in use. ENERGY: 4939000 743.7548 2068.2991 1970.3626 112.3718 -206237.1775 17895.8187 0.0000 0.0000 34126.0451 -149320.5253 298.0312 -183446.5705 -149226.1617 298.6957 -50.0237 -19.0145 558754.5786 -19.9341 -19.9350 PRESSURE: 4939200 271.149 120.221 13.6577 120.22 -66.476 87.658 13.6565 87.6584 -84.8038 GPRESSURE: 4939200 264.961 153.852 -6.36342 147.286 -51.424 109.408 -88.9697 57.1209 5.39729 PRESSAVG: 4939200 93.9933 18.4059 10.7529 18.4059 -40.6748 14.6435 10.7529 14.6435 -20.8582 GPRESSAVG: 4939200 93.9089 20.9118 12.1893 16.3435 -40.034 13.3508 12.1543 15.0057 -20.7123 TIMING: 4939200 CPU: 14302.3, 0.00288539/step Wall: 14302.3, 0.00288539/step, 0.048731 hours remaining, 213.062500 MB of memory in use. ENERGY: 4939200 755.4265 2043.6533 1967.6534 108.0592 -206381.2461 17792.9625 0.0000 0.0000 34290.2960 -149423.1952 299.4657 -183713.4912 -149322.3143 299.4484 39.9563 72.9779 555582.2614 10.8201 11.0542 PRESSURE: 4939400 111.862 -186.83 -231.874 -186.829 -221.71 -183.07 -231.873 -183.071 -87.0155 GPRESSURE: 4939400 120.559 -198.618 -206.418 -216.85 -138.773 -282.947 -173.092 -121.516 -67.9221 PRESSAVG: 4939400 100.042 43.647 -8.51745 43.647 -23.2801 -27.8946 -8.51747 -27.8945 -49.4968 GPRESSAVG: 4939400 100.443 44.5598 -7.74713 42.8904 -24.3747 -28.4841 -8.00192 -26.9764 -49.0783 TIMING: 4939400 CPU: 14302.9, 0.00294862/step Wall: 14302.9, 0.00294862/step, 0.049635 hours remaining, 213.062500 MB of memory in use. ENERGY: 4939400 713.3059 2064.0691 1966.3853 112.7852 -206042.6257 17705.9549 0.0000 0.0000 34222.5681 -149257.5571 298.8742 -183480.1252 -149152.7327 299.5709 -65.6213 -28.7118 558322.7144 9.0883 8.9965 PRESSURE: 4939600 22.1947 69.2112 -44.9273 69.2104 59.3247 -17.6308 -44.9273 -17.6307 -84.2245 GPRESSURE: 4939600 12.1699 56.7415 -136.745 105.812 105.341 33.0886 96.4531 -27.1041 -21.012 PRESSAVG: 4939600 43.4358 1.89022 -15.0327 1.89025 -24.9869 -9.17725 -15.0327 -9.1773 -23.6072 GPRESSAVG: 4939600 44.3618 1.33031 -17.2331 2.76798 -26.649 -9.00721 -13.4221 -9.85777 -22.7011 TIMING: 4939600 CPU: 14303.4, 0.00293247/step Wall: 14303.4, 0.00293247/step, 0.0492004 hours remaining, 213.062500 MB of memory in use. ENERGY: 4939600 734.9007 2077.8260 1967.3764 111.1934 -206111.0947 17723.1049 0.0000 0.0000 34182.1144 -149314.5789 298.5209 -183496.6933 -149210.6215 299.3001 -0.9017 32.1662 555713.7468 -1.7194 -1.6628 PRESSURE: 4939800 -205.617 -52.8271 -39.4478 -52.8262 -336.426 -88.1765 -39.4492 -88.1759 -188.899 GPRESSURE: 4939800 -149.836 -79.3943 -40.1478 4.49631 -339.937 -118.56 -57.3496 -38.4762 -136.932 PRESSAVG: 4939800 80.6931 -4.61685 16.3161 -4.61679 -9.65729 -32.5342 16.3161 -32.5343 -32.23 GPRESSAVG: 4939800 79.535 -4.86075 16.6107 -4.4373 -6.83092 -33.5711 13.3106 -31.6417 -34.3423 TIMING: 4939800 CPU: 14304, 0.0029199/step Wall: 14304, 0.0029199/step, 0.0488272 hours remaining, 213.062500 MB of memory in use. ENERGY: 4939800 785.0761 1995.4261 1971.4296 111.7908 -205880.9122 17569.3914 0.0000 0.0000 34189.5344 -149258.2638 298.5857 -183447.7983 -149160.3620 299.4814 -243.6475 -208.9017 555989.2610 12.9353 12.7873 PRESSURE: 4940000 -106.913 5.45522 -35.0101 5.456 -86.1541 144.809 -35.0114 144.809 -34.7335 GPRESSURE: 4940000 -115.855 -24.1572 62.6114 45.9944 -42.9241 225.081 -94.8403 43.5967 26.7034 PRESSAVG: 4940000 -54.7143 -31.4462 15.9682 -31.4462 0.752028 -33.0917 15.9682 -33.0917 28.7689 GPRESSAVG: 4940000 -53.7879 -35.5894 17.8402 -27.4675 -0.695314 -33.1632 16.4263 -34.7561 29.2636 TIMING: 4940000 CPU: 14304.6, 0.00292557/step Wall: 14304.6, 0.00292557/step, 0.0487596 hours remaining, 213.062500 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: 4940000 766.6150 2051.8011 1975.6921 117.7490 -205932.5172 17609.3132 0.0000 0.0000 34259.7792 -149151.5677 299.1992 -183411.3468 -149051.3552 299.4329 -75.9335 -44.0254 555871.9693 -8.3978 -8.4065 PRESSURE: 4940200 103.014 -148.258 -100.974 -148.257 180.263 55.5425 -100.974 55.5431 -29.3705 GPRESSURE: 4940200 117.185 -278.15 -85.6289 -87.6454 254.209 13.7837 -34.759 2.16839 -16.5757 PRESSAVG: 4940200 20.8682 10.0658 -2.21033 10.0657 29.1138 -21.7926 -2.21032 -21.7926 6.37143 GPRESSAVG: 4940200 19.206 12.5852 -4.42679 6.29283 29.7398 -19.6155 -3.74899 -20.6495 7.57525 TIMING: 4940200 CPU: 14305.2, 0.0029/step Wall: 14305.2, 0.0029/step, 0.0481722 hours remaining, 213.062500 MB of memory in use. ENERGY: 4940200 750.8264 2071.6858 1966.6846 117.8076 -206378.9483 17872.7930 0.0000 0.0000 34468.1869 -149130.9640 301.0192 -183599.1509 -149039.4524 299.8577 84.6354 118.2727 553834.5432 18.7845 18.8403 LDB: ============= START OF LOAD BALANCING ============== 14308.6 LDB: ============== END OF LOAD BALANCING =============== 14308.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14308.6 LDB: ============= START OF LOAD BALANCING ============== 14308.9 LDB: Largest compute 4772 load 0.026343 is 22.3% of average load 0.118009 LDB: Average compute 0.001719 is 1.5% of average load 0.118009 LDB: TIME 14308.9 LOAD: AVG 0.118009 MAX 0.178648 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.309 MB LDB: TIME 14308.9 LOAD: AVG 0.118009 MAX 0.178648 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.508 MB LDB: TIME 14308.9 LOAD: AVG 0.118009 MAX 0.178648 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.508 MB LDB: ============== END OF LOAD BALANCING =============== 14308.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14308.9 PRESSURE: 4940400 83.1277 -107.687 308.562 -107.686 -29.6887 -51.4885 308.561 -51.4889 -13.5216 GPRESSURE: 4940400 139.117 -70.2603 273.746 -190.721 -21.0481 -72.2864 307.604 -0.880888 9.35439 PRESSAVG: 4940400 -0.0236749 -44.4248 50.2631 -44.4249 -20.8501 -0.733004 50.2631 -0.732998 -19.2777 GPRESSAVG: 4940400 0.445842 -42.468 51.0861 -46.2307 -20.4064 -2.27955 51.6652 -0.890412 -19.9401 TIMING: 4940400 CPU: 14305.8, 0.0029618/step Wall: 14305.8, 0.0029618/step, 0.0490342 hours remaining, 213.113281 MB of memory in use. ENERGY: 4940400 763.6917 2060.9402 1962.4065 113.6588 -206293.2346 17854.4208 0.0000 0.0000 34442.7843 -149095.3323 300.7974 -183538.1166 -149000.1333 299.8099 13.3058 42.4745 555349.8783 -13.3838 -13.3002 PRESSURE: 4940600 -58.952 49.1771 -291.57 49.1767 -213.774 -3.68236 -291.57 -3.6815 -120.34 GPRESSURE: 4940600 -21.4511 53.4246 -275.104 54.5561 -255.679 -11.2028 -244.785 8.5887 -25.2463 PRESSAVG: 4940600 52.7843 -11.4913 -0.528397 -11.4914 -49.9793 10.0405 -0.528432 10.0406 49.295 GPRESSAVG: 4940600 53.0172 -11.6878 0.529011 -10.0735 -50.2355 10.9125 0.218819 10.2329 49.7562 TIMING: 4940600 CPU: 14306.4, 0.00291839/step Wall: 14306.4, 0.00291839/step, 0.0481535 hours remaining, 213.113281 MB of memory in use. ENERGY: 4940600 759.8613 2078.8890 1977.6652 111.3059 -205694.0858 17615.5911 0.0000 0.0000 34132.3480 -149018.4252 298.0863 -183150.7733 -148920.5736 299.6431 -131.0220 -100.7922 557140.4515 17.3667 17.5126 PRESSURE: 4940800 -193.824 -5.30383 44.2058 -5.3041 -155.357 -49.8262 44.2056 -49.8272 191.821 GPRESSURE: 4940800 -142.271 5.33468 121.005 -39.3933 -78.6733 -53.222 -30.0922 -16.1668 164.327 PRESSAVG: 4940800 9.60984 -39.2687 61.7913 -39.2687 28.1326 -11.4568 61.7914 -11.4569 0.693769 GPRESSAVG: 4940800 10.8198 -38.3606 60.9639 -40.4236 28.5613 -11.3985 60.5192 -12.9792 -1.00874 TIMING: 4940800 CPU: 14306.9, 0.00292739/step Wall: 14306.9, 0.00292739/step, 0.0481393 hours remaining, 213.113281 MB of memory in use. ENERGY: 4940800 700.5964 1975.5101 1991.4670 112.0229 -205639.0927 17546.9826 0.0000 0.0000 34347.4768 -148965.0369 299.9651 -183312.5136 -148870.2268 300.1269 -52.4533 -18.8723 558431.4986 12.8121 12.7908 PRESSURE: 4941000 128.178 -123.33 33.7671 -123.33 -159.137 48.1236 33.7666 48.1235 406.076 GPRESSURE: 4941000 161.746 -129.064 -59.9973 -51.862 -87.8457 98.348 112.214 41.2837 395.919 PRESSAVG: 4941000 8.43336 -10.1773 55.6894 -10.1773 -56.6437 16.982 55.6893 16.9821 13.0651 GPRESSAVG: 4941000 9.72634 -12.1504 53.4255 -9.72531 -58.0338 16.5724 58.4827 18.6143 13.6533 TIMING: 4941000 CPU: 14307.5, 0.00294926/step Wall: 14307.5, 0.00294926/step, 0.0483351 hours remaining, 213.113281 MB of memory in use. ENERGY: 4941000 721.3430 2059.9329 1977.0156 105.3574 -206162.4981 17880.7092 0.0000 0.0000 34416.3502 -149001.7898 300.5665 -183418.1400 -148911.7114 300.0483 125.0390 156.6065 556768.6793 -11.7151 -11.5514 PRESSURE: 4941200 -109.21 -60.3403 84.9322 -60.3388 -290.809 144.427 84.9325 144.426 -109.35 GPRESSURE: 4941200 -62.3372 10.8468 107.916 -152.004 -230.92 179.416 121.74 121.084 -113.47 PRESSAVG: 4941200 -25.0591 -35.8414 -3.25355 -35.8414 32.471 -5.74827 -3.25347 -5.74834 0.312557 GPRESSAVG: 4941200 -25.7753 -35.4721 0.230486 -34.7434 33.675 -5.04252 -4.69572 -7.36867 -0.308669 TIMING: 4941200 CPU: 14308.1, 0.00290485/step Wall: 14308.1, 0.00290485/step, 0.0474458 hours remaining, 213.113281 MB of memory in use. ENERGY: 4941200 750.3658 2017.1704 1954.9037 109.8568 -206170.4689 17646.1370 0.0000 0.0000 34604.6080 -149087.4272 302.2106 -183692.0352 -148996.4967 299.7933 -169.7895 -135.5759 557073.7989 2.5748 2.5303 PRESSURE: 4941400 -153.448 -0.756392 55.6661 -0.757274 -202.858 -13.7592 55.6669 -13.7598 132.819 GPRESSURE: 4941400 -149.25 8.65941 104.321 -48.108 -165.652 -74.1687 12.4314 11.0911 181.018 PRESSAVG: 4941400 -15.0897 10.9046 48.8212 10.9045 -10.7496 32.2343 48.8212 32.2342 16.5114 GPRESSAVG: 4941400 -14.6241 9.87994 48.5831 12.1016 -11.2093 32.9579 48.8179 33.3239 16.6549 TIMING: 4941400 CPU: 14308.7, 0.00289832/step Wall: 14308.7, 0.00289832/step, 0.0471783 hours remaining, 213.113281 MB of memory in use. ENERGY: 4941400 731.1718 2032.3146 1949.5335 115.1062 -206032.3488 17677.7767 0.0000 0.0000 34349.4263 -149177.0198 299.9821 -183526.4461 -149077.2938 300.0791 -74.4957 -44.6283 557192.2898 -3.1093 -3.0595 PRESSURE: 4941600 264.659 52.1709 -124.815 52.1707 82.1914 16.4006 -124.814 16.3989 -258.635 GPRESSURE: 4941600 257.199 50.0795 -180.062 75.5696 98.516 66.6725 -49.696 76.2003 -170.699 PRESSAVG: 4941600 10.5993 21.2184 19.3134 21.2184 -65.5498 65.1179 19.3133 65.1179 42.2171 GPRESSAVG: 4941600 9.47961 22.6642 18.0891 19.2131 -65.8046 63.426 18.7926 66.1326 43.9484 TIMING: 4941600 CPU: 14309.3, 0.0029083/step Wall: 14309.3, 0.0029083/step, 0.047179 hours remaining, 213.113281 MB of memory in use. ENERGY: 4941600 751.9294 2074.9460 1951.4889 98.0427 -205914.6351 17703.4107 0.0000 0.0000 34320.3741 -149014.4433 299.7284 -183334.8174 -148919.1051 299.6468 29.4053 61.6723 556817.5209 -4.2445 -4.1255 PRESSURE: 4941800 27.8384 10.9312 92.846 10.9312 -0.0501313 59.4921 92.848 59.4937 207.581 GPRESSURE: 4941800 -7.31672 72.5192 43.9988 -17.4819 102.819 109.424 71.731 16.4616 235.071 PRESSAVG: 4941800 104.295 20.2149 -13.3156 20.2149 -30.7986 86.6806 -13.3155 86.6807 -47.0158 GPRESSAVG: 4941800 104.305 20.8756 -12.6887 20.5097 -29.0892 87.1885 -14.958 86.3469 -48.6097 TIMING: 4941800 CPU: 14309.9, 0.00293028/step Wall: 14309.9, 0.00293028/step, 0.0473728 hours remaining, 213.113281 MB of memory in use. ENERGY: 4941800 698.3060 2069.7519 1942.0532 111.6645 -206271.9707 17965.6402 0.0000 0.0000 34327.0159 -149157.5389 299.7864 -183484.5548 -149062.8727 300.0089 78.4563 110.1912 556639.7934 8.8268 8.8687 PRESSURE: 4942000 -43.8923 81.9793 -0.669513 81.9805 -446.76 -47.9181 -0.670516 -47.9187 -63.7365 GPRESSURE: 4942000 -30.2709 76.7099 -75.9861 42.7945 -414.079 -13.8286 -9.95002 -59.3701 -0.67875 PRESSAVG: 4942000 73.9862 46.4401 -16.1277 46.4401 -80.8478 -6.51085 -16.1278 -6.51084 11.1239 GPRESSAVG: 4942000 74.3161 43.8079 -17.9803 48.9918 -81.5858 -9.33944 -13.4754 -3.95652 11.8002 TIMING: 4942000 CPU: 14310.5, 0.00293134/step Wall: 14310.5, 0.00293134/step, 0.0472271 hours remaining, 213.113281 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: 4942000 769.6089 2060.4306 1953.4300 108.4634 -205927.9168 17622.9450 0.0000 0.0000 34285.8839 -149127.1551 299.4272 -183413.0390 -149030.9539 299.7100 -184.7961 -148.3429 558619.1021 1.4208 1.5101 PRESSURE: 4942200 44.2469 35.7717 154.698 35.7707 67.9808 -86.5952 154.698 -86.5971 286.881 GPRESSURE: 4942200 70.9768 118.581 233.419 51.2616 86.4121 -45.4868 153.704 -85.0954 341.515 PRESSAVG: 4942200 67.1161 55.586 -47.2243 55.5861 -33.8735 -8.05468 -47.2244 -8.05465 -31.6674 GPRESSAVG: 4942200 67.867 57.3522 -44.1545 54.7286 -34.086 -5.00557 -48.4384 -10.1223 -32.0282 TIMING: 4942200 CPU: 14311, 0.00291383/step Wall: 14311, 0.00291383/step, 0.0467831 hours remaining, 213.113281 MB of memory in use. ENERGY: 4942200 705.6895 2032.3929 1966.5116 109.4554 -206438.8735 18113.2645 0.0000 0.0000 34222.5289 -149289.0308 298.8739 -183511.5597 -149191.9198 298.9215 133.0362 166.3013 558012.1238 0.5250 0.5842 PRESSURE: 4942400 405.57 179.29 109.072 179.292 152.061 153.88 109.073 153.879 288.463 GPRESSURE: 4942400 398.843 127.723 7.43192 201.24 204.863 79.9418 97.9388 131.355 337.919 PRESSAVG: 4942400 39.942 -19.6294 1.25762 -19.6294 -66.7621 16.9309 1.25762 16.9308 41.5909 GPRESSAVG: 4942400 38.3968 -19.176 -0.109421 -21.2799 -66.6762 16.1941 1.32757 19.2066 42.6401 TIMING: 4942400 CPU: 14311.6, 0.00293996/step Wall: 14311.6, 0.00293996/step, 0.0470394 hours remaining, 213.113281 MB of memory in use. ENERGY: 4942400 720.0247 2144.8846 1945.3631 105.8048 -206543.5673 18359.3864 0.0000 0.0000 34203.8255 -149064.2782 298.7105 -183268.1036 -148977.6665 298.6576 282.0312 313.8748 557820.1081 4.9236 4.7869 PRESSURE: 4942600 -68.0121 -85.7992 2.78105 -85.7997 218.314 -13.8351 2.78142 -13.835 33.4723 GPRESSURE: 4942600 -47.14 2.24863 -74.4146 -188.869 255.606 -96.6272 56.0675 44.1879 73.8931 PRESSAVG: 4942600 6.94639 -26.543 41.6542 -26.5431 3.27187 -13.3402 41.6542 -13.3401 -34.2 GPRESSAVG: 4942600 7.9678 -27.2849 39.6145 -23.5324 2.3708 -14.3346 42.9083 -14.2569 -34.6667 TIMING: 4942600 CPU: 14312.2, 0.00291413/step Wall: 14312.2, 0.00291413/step, 0.0464642 hours remaining, 213.113281 MB of memory in use. ENERGY: 4942600 707.7564 2044.6674 1936.2788 117.0094 -206271.9221 17955.0501 0.0000 0.0000 34240.9913 -149270.1687 299.0351 -183511.1600 -149166.9999 299.0878 61.2582 94.1198 557827.7400 -7.9939 -8.1094 PRESSURE: 4942800 205.949 15.8561 -110.085 15.8563 -243.99 44.4007 -110.085 44.4006 44.6182 GPRESSURE: 4942800 241.358 -22.4449 -174.48 22.419 -178.575 116.93 -57.9372 30.5694 58.2298 PRESSAVG: 4942800 36.3534 0.508758 -4.81268 0.508735 -58.9955 52.9943 -4.81271 52.9943 21.2372 GPRESSAVG: 4942800 37.6516 1.30053 -2.07433 -1.83925 -59.0385 54.6048 -6.23169 52.1253 20.0727 TIMING: 4942800 CPU: 14312.8, 0.00292125/step Wall: 14312.8, 0.00292125/step, 0.0464154 hours remaining, 213.113281 MB of memory in use. ENERGY: 4942800 747.8332 2061.4525 1947.0677 102.9405 -206189.1858 17885.3324 0.0000 0.0000 34321.5337 -149123.0256 299.7385 -183444.5593 -149027.4797 298.7594 2.1925 40.3377 557388.1788 -0.4683 -0.4380 PRESSURE: 4943000 -208.249 -35.9628 -41.1425 -35.9605 -40.8494 -64.2982 -41.142 -64.2988 -12.4518 GPRESSURE: 4943000 -211.195 -32.1176 -147.924 -119.302 27.7077 -73.2187 -7.94257 -76.0261 9.18014 PRESSAVG: 4943000 23.1183 -52.321 -3.64337 -52.321 -22.0424 -4.0058 -3.64334 -4.00602 26.1077 GPRESSAVG: 4943000 21.9739 -54.6826 -4.70269 -51.2238 -21.6568 -6.31622 -5.42697 -4.05319 27.3079 TIMING: 4943000 CPU: 14313.4, 0.00293687/step Wall: 14313.4, 0.00293687/step, 0.0465004 hours remaining, 213.113281 MB of memory in use. ENERGY: 4943000 774.4855 2126.6579 1928.7706 111.3317 -205860.2277 17591.8012 0.0000 0.0000 34267.4803 -149059.7004 299.2664 -183327.1808 -148969.4108 299.4979 -87.1835 -58.1024 558010.9967 9.0612 9.2083 PRESSURE: 4943200 -29.1652 -147.447 -71.6738 -147.448 67.8345 -8.2204 -71.6744 -8.22007 -184.962 GPRESSURE: 4943200 -11.3491 -203.216 23.7832 -101.886 69.8303 -50.3157 -65.1255 -37.0115 -109.608 PRESSAVG: 4943200 5.74145 -41.8116 -4.77906 -41.8116 15.5055 -5.71503 -4.7791 -5.71491 -17.8587 GPRESSAVG: 4943200 5.26232 -38.479 -4.18518 -45.137 15.9176 -3.79586 -2.61345 -4.9306 -17.5551 TIMING: 4943200 CPU: 14314, 0.00293315/step Wall: 14314, 0.00293315/step, 0.0462786 hours remaining, 213.113281 MB of memory in use. ENERGY: 4943200 788.7759 2085.8346 1921.5973 119.3956 -206028.2847 17720.9128 0.0000 0.0000 34367.5346 -149024.2339 300.1402 -183391.7684 -148924.8829 299.7946 -48.7642 -17.0422 557066.5103 1.1294 1.2083 PRESSURE: 4943400 -395.484 -22.5842 -113.951 -22.5844 -114.113 127.828 -113.951 127.828 -177.837 GPRESSURE: 4943400 -342.046 38.0471 -206.62 -11.3961 -94.9585 120.518 -106.479 149.81 -156.625 PRESSAVG: 4943400 -8.73319 15.3834 -44.9169 15.3833 20.2302 9.50019 -44.917 9.50026 -1.49367 GPRESSAVG: 4943400 -8.18769 11.3986 -49.13 20.0828 20.576 7.43051 -43.0613 10.6873 -2.70547 TIMING: 4943400 CPU: 14314.6, 0.0029345/step Wall: 14314.6, 0.0029345/step, 0.0461368 hours remaining, 213.113281 MB of memory in use. ENERGY: 4943400 752.8019 2109.0007 1906.0224 106.4804 -205740.2680 17364.8579 0.0000 0.0000 34154.9960 -149346.1085 298.2841 -183501.1045 -149248.0433 299.8404 -229.1447 -197.8765 557694.2017 3.3344 3.2276 PRESSURE: 4943600 -14.0179 -12.5322 86.6397 -12.5336 72.5359 -14.455 86.6397 -14.4551 25.6018 GPRESSURE: 4943600 101.336 -45.4197 74.8269 11.9457 72.5874 -53.5181 88.69 -10.5517 18.1214 PRESSAVG: 4943600 49.0017 21.8942 -18.0133 21.8943 -34.4392 -23.5851 -18.0132 -23.5851 -32.2621 GPRESSAVG: 4943600 49.6341 24.512 -14.1792 18.8202 -34.8033 -21.554 -21.359 -25.2114 -32.6063 TIMING: 4943600 CPU: 14315.1, 0.0029202/step Wall: 14315.1, 0.0029202/step, 0.0457498 hours remaining, 213.113281 MB of memory in use. ENERGY: 4943600 711.8069 2091.7549 1959.4520 115.4794 -206251.2289 17759.2016 0.0000 0.0000 34267.7922 -149345.7418 299.2692 -183613.5340 -149248.5694 299.3848 28.0400 64.0151 556751.3093 -5.8999 -5.9252 PRESSURE: 4943800 -319.119 -80.1402 -51.1617 -80.1382 -163.94 -58.2768 -51.1621 -58.2757 -87.9777 GPRESSURE: 4943800 -295.146 -55.44 10.2396 -31.1496 -119.683 -78.6555 -57.8246 -78.4463 -60.45 PRESSAVG: 4943800 25.5421 -29.3542 14.993 -29.3542 -51.1841 -33.0549 14.9929 -33.0549 19.8833 GPRESSAVG: 4943800 25.3893 -29.7704 14.8083 -29.4007 -50.4685 -34.0161 14.8207 -31.7604 19.1263 TIMING: 4943800 CPU: 14315.7, 0.00289511/step Wall: 14315.7, 0.00289511/step, 0.0451959 hours remaining, 213.113281 MB of memory in use. ENERGY: 4943800 788.5644 2069.4097 1948.5722 102.4233 -206126.6377 17610.0768 0.0000 0.0000 34302.8958 -149304.6955 299.5757 -183607.5913 -149206.6584 299.0980 -190.3459 -158.4265 557348.8682 -1.9195 -1.9843 PRESSURE: 4944000 -22.6052 -48.7073 -152.002 -48.7073 13.7472 50.0045 -152.003 50.0045 -364.26 GPRESSURE: 4944000 -41.3827 -84.3196 -108.562 -21.3957 43.8617 7.28718 -104.386 31.4309 -275.837 PRESSAVG: 4944000 0.210745 28.8538 -35.5461 28.8539 35.7646 5.11474 -35.5462 5.11476 -35.0962 GPRESSAVG: 4944000 0.525544 27.9248 -34.5524 30.8044 34.6238 8.36407 -36.4551 0.734541 -33.995 TIMING: 4944000 CPU: 14316.3, 0.00293174/step Wall: 14316.3, 0.00293174/step, 0.0456049 hours remaining, 213.113281 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: 4944000 794.2904 2057.8752 1957.0183 106.0495 -206168.8934 17715.8609 0.0000 0.0000 34346.6245 -149191.1747 299.9576 -183537.7992 -149091.4719 299.6798 -124.3728 -91.1192 557378.5639 0.2931 0.3848 PRESSURE: 4944200 -417.339 -58.9402 -9.31977 -58.9403 -212.542 172.238 -9.31927 172.238 -207.03 GPRESSURE: 4944200 -393.593 37.0214 9.57008 -107.003 -242.718 72.1367 -44.8187 185.168 -122.095 PRESSAVG: 4944200 17.4158 -17.9387 -62.6583 -17.9387 51.1242 0.393166 -62.6582 0.393173 -62.7269 GPRESSAVG: 4944200 17.151 -17.9846 -62.9504 -20.4911 51.9434 -2.03546 -62.1986 2.76936 -63.4772 TIMING: 4944200 CPU: 14316.9, 0.00294262/step Wall: 14316.9, 0.00294262/step, 0.0456106 hours remaining, 213.113281 MB of memory in use. ENERGY: 4944200 740.3696 2101.2858 1955.8695 111.0184 -205432.9973 17250.5890 0.0000 0.0000 34137.0146 -149136.8504 298.1270 -183273.8650 -149039.8892 299.1383 -278.9707 -252.8020 559475.3173 1.9377 1.8724 LDB: ============= START OF LOAD BALANCING ============== 14320.3 LDB: ============== END OF LOAD BALANCING =============== 14320.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14320.3 LDB: ============= START OF LOAD BALANCING ============== 14320.6 LDB: Largest compute 4772 load 0.029049 is 24.6% of average load 0.118044 LDB: Average compute 0.001724 is 1.5% of average load 0.118044 LDB: TIME 14320.6 LOAD: AVG 0.118044 MAX 0.180082 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211 MB LDB: TIME 14320.6 LOAD: AVG 0.118044 MAX 0.180082 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211 MB LDB: TIME 14320.6 LOAD: AVG 0.118044 MAX 0.180082 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211 MB LDB: ============== END OF LOAD BALANCING =============== 14320.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14320.6 PRESSURE: 4944400 -83.9919 -54.1518 134.162 -54.1512 34.4995 -175.262 134.161 -175.261 44.3842 GPRESSURE: 4944400 -71.507 -81.1301 94.9368 -17.8561 68.3618 -59.078 140.295 -211.692 92.7863 PRESSAVG: 4944400 -92.8199 4.19055 -45.5319 4.19056 117.513 24.915 -45.532 24.915 -25.4314 GPRESSAVG: 4944400 -92.5901 3.31881 -46.6944 5.30928 117.065 24.5861 -43.7695 24.875 -25.0772 TIMING: 4944400 CPU: 14317.5, 0.00299041/step Wall: 14317.5, 0.00299041/step, 0.0461852 hours remaining, 211.511719 MB of memory in use. ENERGY: 4944400 759.7746 2148.2152 1932.1531 98.1927 -205974.4927 17612.4588 0.0000 0.0000 34298.6450 -149125.0533 299.5386 -183423.6983 -149031.1924 299.8000 -1.7027 29.8804 558592.8145 -0.2462 -0.2007 PRESSURE: 4944600 -91.0003 -3.06067 -78.4154 -3.06157 90.7569 -54.0825 -78.4149 -54.0816 -64.6891 GPRESSURE: 4944600 -112.561 14.8562 -14.5709 58.6021 161.298 -0.334025 -135.976 -63.8883 -8.26119 PRESSAVG: 4944600 -33.0226 5.32545 -35.4988 5.32545 -3.1843 -57.6353 -35.4988 -57.6353 53.8525 GPRESSAVG: 4944600 -33.2192 7.22226 -34.4514 5.25338 -3.011 -56.3612 -35.9133 -55.8584 54.1212 TIMING: 4944600 CPU: 14318.1, 0.0029161/step Wall: 14318.1, 0.0029161/step, 0.0448756 hours remaining, 211.714844 MB of memory in use. ENERGY: 4944600 771.8934 2119.8926 1978.4664 125.1835 -206432.7168 18037.9525 0.0000 0.0000 34304.8905 -149094.4378 299.5931 -183399.3284 -148998.0197 299.6441 -21.6442 13.4919 557786.2956 5.8819 5.9637 PRESSURE: 4944800 98.1162 -104.687 -98.4576 -104.686 40.8954 -41.6886 -98.4574 -41.6883 -166.741 GPRESSURE: 4944800 110.642 -137.287 -100.316 -39.9803 101.705 0.744609 -61.9829 -66.9285 -158.278 PRESSAVG: 4944800 11.6941 8.82893 -36.8982 8.82895 -9.01898 40.8446 -36.8982 40.8448 -9.95258 GPRESSAVG: 4944800 11.2294 5.83075 -37.6632 9.41201 -8.34305 40.1612 -40.1833 38.1873 -10.3171 TIMING: 4944800 CPU: 14318.7, 0.00292298/step Wall: 14318.7, 0.00292298/step, 0.044819 hours remaining, 211.714844 MB of memory in use. ENERGY: 4944800 738.4656 2133.8106 1921.8780 120.1110 -206178.8262 17784.8644 0.0000 0.0000 34385.5828 -149094.1138 300.2978 -183479.6966 -148995.1915 299.5262 -9.2430 18.0227 558218.5340 -2.4258 -2.4769 PRESSURE: 4945000 219.952 -24.0398 61.417 -24.0396 -52.8143 -36.1542 61.4173 -36.1526 75.3282 GPRESSURE: 4945000 277.292 2.42227 91.1797 -30.7046 -46.6441 -105.729 42.6949 24.1482 110.406 PRESSAVG: 4945000 63.8459 -40.7695 -40.7596 -40.7695 -21.7426 -19.2337 -40.7596 -19.2336 -16.0475 GPRESSAVG: 4945000 64.0285 -40.2532 -40.858 -40.0902 -22.2411 -17.8806 -38.3224 -19.2716 -15.8594 TIMING: 4945000 CPU: 14319.2, 0.00290749/step Wall: 14319.2, 0.00290749/step, 0.04442 hours remaining, 211.714844 MB of memory in use. ENERGY: 4945000 727.8444 2137.4973 1935.0161 107.7158 -206502.3819 18023.3828 0.0000 0.0000 34221.9057 -149349.0199 298.8684 -183570.9255 -149256.2760 298.7181 80.8219 113.6846 559016.7220 8.6853 8.6427 PRESSURE: 4945200 173.89 -72.5624 52.1411 -72.5627 -48.4464 -43.325 52.1399 -43.3254 -63.3299 GPRESSURE: 4945200 190.283 -10.2603 56.5717 -41.0299 67.8158 -29.4363 179.568 -41.9887 -98.8342 PRESSAVG: 4945200 87.2206 36.3035 40.2608 36.3036 -55.8906 -15.6707 40.2608 -15.6708 -4.69484 GPRESSAVG: 4945200 87.7013 38.7986 40.9919 34.1141 -54.2585 -19.1834 39.9867 -12.663 -6.63047 TIMING: 4945200 CPU: 14319.8, 0.00291199/step Wall: 14319.8, 0.00291199/step, 0.044327 hours remaining, 211.714844 MB of memory in use. ENERGY: 4945200 720.5392 2045.8246 1935.0207 109.2318 -206410.9340 17953.3758 0.0000 0.0000 34216.8654 -149430.0765 298.8244 -183646.9420 -149324.6217 298.7243 20.7045 53.0881 557091.2564 8.8784 8.9375 PRESSURE: 4945400 49.5033 -94.661 -74.2538 -94.6617 145.997 55.5766 -74.2522 55.5777 -141.967 GPRESSURE: 4945400 121.631 -33.3694 -89.0657 -137.541 147.641 52.9501 -43.2492 79.2249 -120.576 PRESSAVG: 4945400 0.6614 24.2133 -0.103368 24.2132 -30.6273 -22.0758 -0.103252 -22.0758 24.7569 GPRESSAVG: 4945400 0.203866 23.7101 -1.60011 23.3992 -30.4806 -19.5219 0.961062 -23.857 24.9853 TIMING: 4945400 CPU: 14320.4, 0.00289849/step Wall: 14320.4, 0.00289849/step, 0.0439604 hours remaining, 211.714844 MB of memory in use. ENERGY: 4945400 783.7741 2133.9460 1934.3562 112.5353 -206391.1623 17881.5452 0.0000 0.0000 34242.7805 -149302.2251 299.0507 -183545.0056 -149200.9244 299.2235 17.8443 49.5651 557989.2912 -1.7363 -1.7638 PRESSURE: 4945600 -262.656 67.9429 -91.7452 67.943 -171.642 -114.381 -91.745 -114.381 82.5992 GPRESSURE: 4945600 -182.152 116.476 -103.111 87.914 -138.313 -108.671 -71.6703 -176.99 83.6023 PRESSAVG: 4945600 87.871 -16.9684 -3.95538 -16.9684 -7.30503 13.1864 -3.95532 13.1863 -87.0138 GPRESSAVG: 4945600 88.1668 -19.6163 -1.7353 -14.3675 -8.00052 11.914 -4.94826 12.8848 -85.9833 TIMING: 4945600 CPU: 14321, 0.00292755/step Wall: 14321, 0.00292755/step, 0.0442385 hours remaining, 211.714844 MB of memory in use. ENERGY: 4945600 725.3331 2073.9805 1939.8419 96.4557 -206185.9637 17752.3886 0.0000 0.0000 34373.7249 -149224.2391 300.1943 -183597.9640 -149129.9334 299.2988 -117.2328 -78.9542 556487.8690 -2.1493 -1.9390 PRESSURE: 4945800 -144.246 101.598 159.632 101.598 -227.963 -135.961 159.63 -135.96 69.6021 GPRESSURE: 4945800 -45.5791 141.137 218.154 55.9054 -251.69 -121.455 113.989 -150.796 80.0138 PRESSAVG: 4945800 26.8028 35.4775 -6.573 35.4775 -20.9228 -3.65464 -6.57306 -3.65466 -23.0874 GPRESSAVG: 4945800 27.1129 37.9995 -9.05668 31.9006 -21.546 -1.49848 -5.12907 -3.54015 -23.3529 TIMING: 4945800 CPU: 14321.6, 0.00290414/step Wall: 14321.6, 0.00290414/step, 0.0437234 hours remaining, 211.714844 MB of memory in use. ENERGY: 4945800 783.6494 2098.6872 1933.7527 122.0811 -205713.2223 17412.6025 0.0000 0.0000 34292.7805 -149069.6689 299.4874 -183362.4494 -148975.2548 299.1066 -100.8689 -72.4185 556755.5447 -5.7358 -5.9287 PRESSURE: 4946000 353.928 23.5028 -51.5972 23.5013 73.2025 -33.1017 -51.5973 -33.0993 -152.016 GPRESSURE: 4946000 405.873 165.104 -30.1739 -78.4318 126.052 17.2462 -60.3612 92.2348 -151.839 PRESSAVG: 4946000 1.48696 27.0004 13.3575 27.0004 -22.0149 26.5961 13.3576 26.5961 41.7797 GPRESSAVG: 4946000 1.71462 25.2773 15.5971 29.3327 -21.5717 24.3724 11.7716 27.8792 41.8467 TIMING: 4946000 CPU: 14322.1, 0.00292536/step Wall: 14322.1, 0.00292536/step, 0.0438804 hours remaining, 211.714844 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: 4946000 752.4969 2114.0497 1936.3700 120.1416 -206215.5361 17900.0201 0.0000 0.0000 34225.0104 -149167.4474 298.8955 -183392.4578 -149082.0836 299.4664 91.7049 126.6953 556972.0252 7.0839 7.3299 PRESSURE: 4946200 312.858 -140.727 10.1148 -140.725 -90.5616 16.3074 10.1133 16.3067 -128.164 GPRESSURE: 4946200 333.984 -146.78 1.59569 -120.425 -60.5981 -9.30901 10.9283 36.0223 -82.8416 PRESSAVG: 4946200 18.6903 -12.6676 33.0372 -12.6676 -11.4112 -24.5008 33.0372 -24.5008 3.94634 GPRESSAVG: 4946200 18.405 -11.3581 31.7961 -12.5753 -11.7364 -24.1519 32.8234 -25.0445 4.36777 TIMING: 4946200 CPU: 14322.7, 0.00290557/step Wall: 14322.7, 0.00290557/step, 0.0434222 hours remaining, 211.714844 MB of memory in use. ENERGY: 4946200 757.1427 2089.9314 1963.2998 101.9399 -205917.7236 17725.8591 0.0000 0.0000 34210.3073 -149069.2434 298.7671 -183279.5507 -148979.4948 299.6058 31.3775 63.5148 557139.7962 3.7418 3.6788 PRESSURE: 4946400 488.418 -164.965 -17.3939 -164.965 112.77 -64.8207 -17.3935 -64.8173 -92.8885 GPRESSURE: 4946400 403.156 -70.2121 3.13157 -205.338 192.284 -122.104 -58.9983 91.8472 15.8152 PRESSAVG: 4946400 55.8525 83.4338 -26.5661 83.4337 -4.60325 -53.5432 -26.5659 -53.5432 -67.3776 GPRESSAVG: 4946400 54.1414 81.4487 -25.3043 83.6878 -3.93312 -52.0045 -25.3348 -53.0697 -66.0938 TIMING: 4946400 CPU: 14323.3, 0.00290779/step Wall: 14323.3, 0.00290779/step, 0.0432937 hours remaining, 211.714844 MB of memory in use. ENERGY: 4946400 731.1037 2064.7053 1955.2274 126.4038 -206538.2701 18132.7521 0.0000 0.0000 34491.4581 -149036.6197 301.2225 -183528.0778 -148942.7016 299.3592 169.4331 203.7516 556392.0849 -5.3761 -5.2952 PRESSURE: 4946600 -130.037 -117.168 7.09285 -117.169 279.85 78.4484 7.0921 78.449 64.9657 GPRESSURE: 4946600 -82.2098 -186.001 21.6659 -95.9269 311.084 98.9141 -20.5973 166.622 85.2642 PRESSAVG: 4946600 8.46569 27.8139 27.4522 27.8139 -21.3896 8.70744 27.4522 8.70735 59.2043 GPRESSAVG: 4946600 10.075 28.9763 27.2243 25.0933 -21.668 6.53408 26.5623 7.43951 57.8549 TIMING: 4946600 CPU: 14323.9, 0.00292985/step Wall: 14323.9, 0.00292984/step, 0.0434594 hours remaining, 211.714844 MB of memory in use. ENERGY: 4946600 734.5098 2046.5503 1938.8164 112.5673 -206037.1529 17873.7334 0.0000 0.0000 34237.4299 -149093.5458 299.0040 -183330.9757 -148993.5983 299.6033 71.5929 104.7128 556758.6596 15.4268 15.4206 PRESSURE: 4946800 71.2483 18.2671 -185.298 18.2664 34.2595 12.3858 -185.298 12.3861 72.2364 GPRESSURE: 4946800 121.582 -20.9383 -41.9136 53.073 70.1436 -61.6843 -172.817 132.551 84.2356 PRESSAVG: 4946800 34.3258 -26.3987 -46.3168 -26.3986 -27.4817 53.6762 -46.3168 53.6763 -28.0335 GPRESSAVG: 4946800 34.3374 -26.9269 -45.6251 -23.9953 -27.5239 53.9451 -46.7876 53.23 -28.4281 TIMING: 4946800 CPU: 14324.5, 0.00292118/step Wall: 14324.5, 0.00292118/step, 0.0431685 hours remaining, 211.714844 MB of memory in use. ENERGY: 4946800 732.4088 2041.7523 1949.6986 120.7503 -206096.8654 17907.0552 0.0000 0.0000 34093.2323 -149251.9679 297.7447 -183345.2002 -149157.1733 299.6600 59.2481 91.9872 557565.9021 -7.0631 -7.2049 PRESSURE: 4947000 -155.344 -95.2035 -72.9014 -95.2033 -121.612 -194.044 -72.9019 -194.045 -95.9448 GPRESSURE: 4947000 -119.224 33.5158 -187.767 -199.494 -112.147 -159.049 -4.38997 -134.718 -53.7463 PRESSAVG: 4947000 49.8107 53.2199 7.0211 53.2198 30.8591 18.3729 7.0211 18.3729 -68.9 GPRESSAVG: 4947000 49.7166 54.7106 5.74117 51.8845 30.9282 19.0805 4.67055 19.4514 -68.8334 TIMING: 4947000 CPU: 14325.1, 0.00289837/step Wall: 14325.1, 0.00289837/step, 0.0426704 hours remaining, 211.714844 MB of memory in use. ENERGY: 4947000 750.4367 2075.3020 1960.3502 107.1416 -206033.1897 17638.3616 0.0000 0.0000 34252.4850 -149249.1126 299.1355 -183501.5976 -149158.0392 299.2180 -124.3003 -95.0389 558754.7428 3.9232 3.9372 PRESSURE: 4947200 -114.16 54.1008 -83.1364 54.1003 -163.176 -49.4124 -83.1361 -49.4112 -272.554 GPRESSURE: 4947200 -65.5683 68.8665 -81.3542 -29.0106 -92.266 -79.8591 -102.175 -4.06843 -296.25 PRESSAVG: 4947200 54.839 -61.7487 17.0212 -61.7488 24.365 -49.1914 17.0213 -49.1913 -32.9869 GPRESSAVG: 4947200 54.0651 -65.0301 16.3364 -60.0343 25.6499 -48.8083 20.2558 -50.2524 -33.3395 TIMING: 4947200 CPU: 14325.6, 0.00289437/step Wall: 14325.6, 0.00289437/step, 0.0424507 hours remaining, 211.714844 MB of memory in use. ENERGY: 4947200 737.0308 2067.4113 1965.3926 112.3355 -205935.2818 17642.0027 0.0000 0.0000 34245.2707 -149165.8382 299.0725 -183411.1089 -149068.7887 299.3976 -183.2967 -151.3615 559019.2574 15.4057 15.4585 PRESSURE: 4947400 -145.579 75.4578 170.381 75.4579 -212.714 63.261 170.381 63.2589 -390.206 GPRESSURE: 4947400 -89.7916 -19.4012 134.411 32.9741 -255.183 82.3467 212.249 18.8193 -303.414 PRESSAVG: 4947400 75.8601 -29.6095 52.3159 -29.6094 -59.565 54.3222 52.3158 54.3222 -11.445 GPRESSAVG: 4947400 76.6761 -26.5574 51.2028 -30.9755 -60.2514 53.8081 52.6511 55.7762 -11.5277 TIMING: 4947400 CPU: 14326.2, 0.00290034/step Wall: 14326.2, 0.00290034/step, 0.0423772 hours remaining, 211.714844 MB of memory in use. ENERGY: 4947400 776.3284 2036.6072 1967.8929 114.0508 -205981.2221 17537.1266 0.0000 0.0000 34402.8269 -149146.3893 300.4484 -183549.2162 -149053.0375 299.6075 -249.4995 -216.1294 559757.3079 1.6167 1.6323 PRESSURE: 4947600 236.797 -90.1492 13.6191 -90.1496 -167.04 -53.7226 13.6189 -53.7238 28.0572 GPRESSURE: 4947600 312.922 14.4103 -52.3189 -177.83 -158.51 -36.9963 14.697 -56.8343 37.4627 PRESSAVG: 4947600 42.6067 13.6442 30.707 13.6442 -20.6979 37.4313 30.707 37.4314 4.33374 GPRESSAVG: 4947600 42.593 12.663 34.03 14.9761 -20.5289 36.7638 28.9219 38.464 4.51672 TIMING: 4947600 CPU: 14326.8, 0.00289071/step Wall: 14326.8, 0.00289071/step, 0.0420758 hours remaining, 211.714844 MB of memory in use. ENERGY: 4947600 718.1484 2080.1575 1995.7612 119.1245 -206417.6012 18049.9481 0.0000 0.0000 34168.5861 -149285.8754 298.4028 -183454.4616 -149197.1643 299.3177 32.6045 63.9582 559689.7596 8.7475 8.8603 PRESSURE: 4947800 19.315 -61.9533 -78.2881 -61.9536 370.776 -0.00607749 -78.2865 -0.00681665 95.7287 GPRESSURE: 4947800 96.3063 -184.995 -47.9981 -19.919 333.559 10.8848 -150.712 61.2895 159.933 PRESSAVG: 4947800 -25.6567 1.32926 29.6973 1.3294 11.3125 2.34357 29.6973 2.34351 -25.5003 GPRESSAVG: 4947800 -26.8384 1.84246 28.5185 -0.623229 11.7294 4.77738 30.7575 1.03014 -24.8737 TIMING: 4947800 CPU: 14327.4, 0.00291691/step Wall: 14327.4, 0.00291691/step, 0.0422952 hours remaining, 211.714844 MB of memory in use. ENERGY: 4947800 717.2328 2082.6128 1984.1697 111.1567 -206640.2528 18065.8036 0.0000 0.0000 34382.7422 -149296.5350 300.2730 -183679.2772 -149198.9674 298.7813 161.9399 196.5992 556947.3860 -13.2815 -13.3275 PRESSURE: 4948000 -270.429 52.6924 11.3216 52.6932 -80.4492 -11.2226 11.3225 -11.2237 50.8937 GPRESSURE: 4948000 -282.703 105.935 10.4996 93.0254 -10.1966 -63.8638 1.09141 37.6535 86.5377 PRESSAVG: 4948000 -99.0798 -17.7545 0.170106 -17.7544 33.8227 -4.22387 0.170082 -4.22398 60.0919 GPRESSAVG: 4948000 -98.0223 -18.0678 -0.75228 -17.2464 31.8244 -4.83715 0.905013 -4.59984 61.0111 TIMING: 4948000 CPU: 14328, 0.00291866/step Wall: 14328, 0.00291866/step, 0.0421584 hours remaining, 211.714844 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: 4948000 753.6554 2074.3662 1941.4746 108.8811 -206063.6023 17630.7157 0.0000 0.0000 34408.6871 -149145.8223 300.4996 -183554.5093 -149050.6192 299.3869 -99.9948 -68.7874 556804.1514 -1.7217 -1.7289 PRESSURE: 4948200 -82.7198 -3.88995 -34.7108 -3.88995 -534.455 -117.017 -34.7113 -117.017 -52.0054 GPRESSURE: 4948200 -54.5928 -9.21421 -133.366 -10.9302 -477.971 -20.9798 47.5974 -244.955 -32.1756 PRESSAVG: 4948200 55.5893 -9.31891 -32.1562 -9.31883 -58.6235 -23.3571 -32.1561 -23.3572 28.647 GPRESSAVG: 4948200 55.0228 -9.35783 -31.8522 -8.82123 -56.7126 -23.3728 -33.728 -22.2804 27.0707 TIMING: 4948200 CPU: 14328.6, 0.00293177/step Wall: 14328.6, 0.00293177/step, 0.042185 hours remaining, 211.714844 MB of memory in use. ENERGY: 4948200 756.8521 2087.3170 1966.6437 113.4886 -206106.7532 17639.1579 0.0000 0.0000 34380.0073 -149163.2865 300.2492 -183543.2939 -149070.2634 299.7524 -223.0601 -188.2464 557615.3664 8.5376 8.4603 LDB: ============= START OF LOAD BALANCING ============== 14331.9 LDB: ============== END OF LOAD BALANCING =============== 14331.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14331.9 LDB: ============= START OF LOAD BALANCING ============== 14332.2 LDB: Largest compute 4772 load 0.025490 is 21.6% of average load 0.117972 LDB: Average compute 0.001728 is 1.5% of average load 0.117972 LDB: TIME 14332.2 LOAD: AVG 0.117972 MAX 0.180549 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.562 MB LDB: TIME 14332.2 LOAD: AVG 0.117972 MAX 0.180549 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.637 MB LDB: TIME 14332.2 LOAD: AVG 0.117972 MAX 0.180549 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.637 MB LDB: ============== END OF LOAD BALANCING =============== 14332.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14332.2 PRESSURE: 4948400 270.561 -5.64254 -37.5683 -5.64197 164.835 -117.229 -37.5679 -117.229 -42.9906 GPRESSURE: 4948400 313.784 43.634 -128.011 -67.409 174.558 -79.1992 -8.75218 -147.347 -2.54329 PRESSAVG: 4948400 35.6607 -9.74867 -65.4698 -9.74865 -69.9379 20.9962 -65.4698 20.9962 33.9676 GPRESSAVG: 4948400 35.5896 -8.50944 -64.8422 -9.60328 -69.8351 20.9647 -64.3816 19.9496 34.0938 TIMING: 4948400 CPU: 14329.1, 0.00297666/step Wall: 14329.1, 0.00297666/step, 0.0426655 hours remaining, 213.687500 MB of memory in use. ENERGY: 4948400 711.0390 2033.9081 1951.5089 111.8851 -206265.0219 17900.0042 0.0000 0.0000 34294.1547 -149262.5219 299.4994 -183556.6766 -149162.6793 299.9204 130.8018 161.9327 557123.5194 -0.1032 -0.0506 PRESSURE: 4948600 168.787 -33.3879 55.825 -33.3867 394.313 -104.196 55.8246 -104.197 290.758 GPRESSURE: 4948600 294.093 -57.7915 68.9436 -2.11328 375.465 -156.342 -12.9434 5.00307 268.357 PRESSAVG: 4948600 13.4279 39.8056 -10.2451 39.8056 -10.5993 -65.9179 -10.2451 -65.9178 -20.125 GPRESSAVG: 4948600 15.0722 38.7625 -11.1871 40.1085 -11.5489 -65.8531 -10.2208 -67.8795 -20.6054 TIMING: 4948600 CPU: 14329.7, 0.00295346/step Wall: 14329.7, 0.00295346/step, 0.0421688 hours remaining, 213.890625 MB of memory in use. ENERGY: 4948600 763.5485 2056.8159 1939.4286 114.5307 -206424.4427 18136.9973 0.0000 0.0000 34112.7187 -149300.4031 297.9149 -183413.1218 -149206.7459 299.0531 284.6195 312.6384 556115.5654 -5.7654 -5.6940 PRESSURE: 4948800 27.018 -66.3495 50.5384 -66.3493 -101.227 42.6295 50.5393 42.6297 147.223 GPRESSURE: 4948800 61.6358 -71.5778 45.378 -52.0292 -70.5918 75.9261 72.287 30.1343 181.051 PRESSAVG: 4948800 36.6489 -46.9387 -1.54928 -46.9388 -12.2649 33.1104 -1.54926 33.1103 -27.9089 GPRESSAVG: 4948800 37.0935 -47.331 0.579626 -47.0803 -12.9212 32.4483 -2.44479 33.7691 -27.5662 TIMING: 4948800 CPU: 14330.3, 0.00293991/step Wall: 14330.3, 0.00293991/step, 0.0418121 hours remaining, 213.890625 MB of memory in use. ENERGY: 4948800 717.0629 2092.4334 1936.0892 111.2592 -206161.8113 17780.4946 0.0000 0.0000 34263.9366 -149260.5354 299.2355 -183524.4721 -149172.8731 299.2251 24.3381 57.3649 556909.0341 -1.1750 -1.1313 PRESSURE: 4949000 -33.4613 53.9953 107.654 53.9959 31.4432 50.2842 107.653 50.2845 -53.7261 GPRESSURE: 4949000 -13.0616 -63.686 130.03 60.1523 68.7181 43.7629 125.507 90.2798 -4.11447 PRESSAVG: 4949000 24.4416 -12.4563 39.3673 -12.4562 -4.10576 4.55077 39.3673 4.55077 32.1761 GPRESSAVG: 4949000 23.1548 -15.5493 37.8182 -12.5849 -2.69582 3.29721 39.5201 7.41091 31.8598 TIMING: 4949000 CPU: 14330.9, 0.00290528/step Wall: 14330.9, 0.00290528/step, 0.0411582 hours remaining, 213.890625 MB of memory in use. ENERGY: 4949000 734.4435 2055.9996 1969.8453 106.4384 -206132.3359 17624.6434 0.0000 0.0000 34403.5945 -149237.3712 300.4551 -183640.9657 -149141.9008 299.8190 -18.5814 17.1807 555897.1334 17.5040 17.4396 PRESSURE: 4949200 157.845 105.043 80.0962 105.044 50.8547 -54.8943 80.0979 -54.8926 -124.53 GPRESSURE: 4949200 120.875 234.351 50.9506 -10.7695 122.213 -109.419 158.037 -42.8947 -62.8641 PRESSAVG: 4949200 71.1588 23.8922 19.8232 23.8922 -42.7951 -21.1501 19.8232 -21.1501 -43.0908 GPRESSAVG: 4949200 70.9525 24.935 20.8206 23.3766 -42.5502 -21.0189 20.0049 -21.2984 -43.236 TIMING: 4949200 CPU: 14331.5, 0.00291727/step Wall: 14331.5, 0.00291727/step, 0.0411659 hours remaining, 213.890625 MB of memory in use. ENERGY: 4949200 713.0255 2055.0938 1947.5196 108.2136 -206082.3188 17797.9103 0.0000 0.0000 34167.8048 -149292.7512 298.3959 -183460.5560 -149197.0717 299.1216 28.0567 60.0749 556054.2580 -4.9091 -4.9446 PRESSURE: 4949400 -144.309 -45.2251 62.1203 -45.2244 -22.7299 0.618122 62.1204 0.618277 -232.54 GPRESSURE: 4949400 -84.1509 -34.1919 64.6891 -74.3974 -3.82162 72.2474 31.4133 -33.4302 -207.35 PRESSAVG: 4949400 32.0247 60.3323 12.7849 60.3323 -6.2475 -22.9047 12.785 -22.9048 -26.8785 GPRESSAVG: 4949400 32.8192 62.1565 10.1344 58.7198 -6.6579 -20.6974 12.9871 -24.1499 -26.262 TIMING: 4949400 CPU: 14332.1, 0.00293961/step Wall: 14332.1, 0.00293961/step, 0.0413178 hours remaining, 213.890625 MB of memory in use. ENERGY: 4949400 734.5589 2077.1555 1950.9408 115.2296 -206112.1983 17736.9928 0.0000 0.0000 34294.6229 -149202.6977 299.5035 -183497.3206 -149107.8061 298.2079 -133.1927 -98.4409 558461.9224 -0.3671 -0.0335 PRESSURE: 4949600 -9.49367 29.5434 -64.8831 29.543 -44.0239 -29.0782 -64.8837 -29.0769 25.1327 GPRESSURE: 4949600 1.62832 21.232 -47.2581 25.3502 6.32102 -91.051 -97.6131 -7.23791 57.1562 PRESSAVG: 4949600 -22.0277 -4.27074 27.5198 -4.27076 -5.60157 21.4688 27.5197 21.4689 62.02 GPRESSAVG: 4949600 -21.8048 -2.01045 28.1068 -3.39324 -6.97055 19.5338 28.885 22.3988 62.608 TIMING: 4949600 CPU: 14332.7, 0.0029331/step Wall: 14332.7, 0.0029331/step, 0.0410634 hours remaining, 213.890625 MB of memory in use. ENERGY: 4949600 739.6920 2061.3778 1965.8253 107.3819 -206335.4733 17842.7859 0.0000 0.0000 34602.5014 -149015.9090 302.1923 -183618.4103 -148915.0466 299.1039 -9.4616 21.7018 557012.6885 11.4636 11.2775 PRESSURE: 4949800 0.645976 -46.6539 174.438 -46.654 -102.425 21.9222 174.438 21.9231 243.248 GPRESSURE: 4949800 30.1412 16.9701 141.242 -120.182 -46.1764 44.6095 245.917 -23.0421 243.709 PRESSAVG: 4949800 -21.3735 37.5975 25.4248 37.5974 -9.29024 -67.5041 25.4248 -67.5041 46.0896 GPRESSAVG: 4949800 -22.4058 36.0265 25.9115 37.8879 -8.99051 -67.0913 23.5555 -67.1313 45.9757 TIMING: 4949800 CPU: 14333.3, 0.00294137/step Wall: 14333.3, 0.00294137/step, 0.0410158 hours remaining, 213.890625 MB of memory in use. ENERGY: 4949800 717.8531 2164.5087 1960.8461 139.0948 -206234.3560 17882.2052 0.0000 0.0000 34303.8713 -149065.9767 299.5842 -183369.8480 -148967.9346 300.5594 47.1563 75.8912 557552.5993 5.1419 4.8598 PRESSURE: 4950000 -3.91637 49.5413 147.586 49.5417 -22.9065 -108.781 147.586 -108.782 259.404 GPRESSURE: 4950000 49.2536 -58.6075 71.6373 15.0954 28.9019 -29.8606 176.767 -136.809 253.346 PRESSAVG: 4950000 -23.8677 -10.5408 38.0051 -10.5408 -53.8374 -55.3305 38.005 -55.3305 60.5239 GPRESSAVG: 4950000 -24.0404 -11.295 38.177 -14.121 -53.8961 -54.2515 38.934 -56.8748 60.4668 TIMING: 4950000 CPU: 14333.8, 0.00294437/step Wall: 14333.8, 0.00294437/step, 0.040894 hours remaining, 213.890625 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: 4950000 735.4404 2138.0054 1966.5554 124.4244 -206190.1290 17895.1264 0.0000 0.0000 34242.2413 -149088.3356 299.0460 -183330.5769 -148985.8116 299.7857 77.5272 110.5005 557054.0321 -5.7271 -5.8232 PRESSURE: 4950200 -229.617 35.5294 104.666 35.5284 -86.4859 -67.2184 104.666 -67.2201 -162.514 GPRESSURE: 4950200 -181.996 79.6786 113.661 -0.10471 -73.1997 -44.5683 101.771 -66.5543 -123.732 PRESSAVG: 4950200 40.4653 31.7633 -9.53445 31.7633 -32.2529 28.9602 -9.53439 28.9603 -48.9384 GPRESSAVG: 4950200 40.4698 30.6746 -9.56995 35.6917 -32.0786 28.4732 -8.90125 28.7291 -49.5127 TIMING: 4950200 CPU: 14334.4, 0.00292706/step Wall: 14334.4, 0.00292706/step, 0.040491 hours remaining, 213.890625 MB of memory in use. ENERGY: 4950200 721.3461 2083.0946 1953.4328 115.9881 -205894.1037 17420.1314 0.0000 0.0000 34324.5926 -149275.5181 299.7652 -183600.1106 -149181.7642 300.0367 -159.5392 -126.3092 556846.5569 -13.5753 -13.7072 PRESSURE: 4950400 -136.973 -51.6694 20.7012 -51.668 -213.472 67.7321 20.7023 67.7301 -173.885 GPRESSURE: 4950400 -88.6008 -19.6043 66.4563 9.6393 -234.858 2.3748 -41.4247 134.499 -106.929 PRESSAVG: 4950400 17.3747 9.57637 39.1696 9.57636 15.2722 31.1662 39.1698 31.1663 -18.9621 GPRESSAVG: 4950400 18.0248 10.9107 40.3842 8.01771 14.8968 31.8395 37.0757 29.5951 -19.1114 TIMING: 4950400 CPU: 14335, 0.00291052/step Wall: 14335, 0.00291052/step, 0.0401005 hours remaining, 213.890625 MB of memory in use. ENERGY: 4950400 740.7052 2039.3087 1956.7527 122.0893 -206062.0558 17654.1234 0.0000 0.0000 34336.3408 -149212.7357 299.8678 -183549.0765 -149116.1525 299.9577 -174.7766 -143.4625 557312.5002 4.5616 4.6034 PRESSURE: 4950600 -63.69 -118.423 -67.3108 -118.423 -190.924 171.684 -67.3098 171.683 -124.302 GPRESSURE: 4950600 -19.6484 -187.002 -5.75105 -169.507 -169.698 192.194 -13.6348 167.585 -90.7122 PRESSAVG: 4950600 75.2422 -35.6142 -27.2554 -35.6142 -39.2239 45.5231 -27.2554 45.5231 -6.84663 GPRESSAVG: 4950600 74.9055 -36.8207 -27.6896 -35.1207 -38.987 46.324 -25.691 48.676 -7.121 TIMING: 4950600 CPU: 14335.6, 0.00289589/step Wall: 14335.6, 0.00289589/step, 0.039738 hours remaining, 213.890625 MB of memory in use. ENERGY: 4950600 726.0407 2042.2322 1984.5544 108.9811 -205961.5651 17515.6594 0.0000 0.0000 34409.2420 -149174.8554 300.5045 -183584.0974 -149079.6956 300.1917 -126.3052 -93.3528 557572.1795 9.7239 9.5992 PRESSURE: 4950800 -176.191 -101.875 21.2113 -101.874 -225.933 91.8468 21.2105 91.8446 -93.2573 GPRESSURE: 4950800 -127.567 -123.559 32.7565 -122.23 -210.902 6.23113 79.3489 46.8351 -54.0846 PRESSAVG: 4950800 9.53491 -27.3407 -59.9924 -27.3407 -23.9768 18.9417 -59.9924 18.9419 20.72 GPRESSAVG: 4950800 9.81099 -27.2896 -62.2363 -25.921 -24.2165 17.3881 -58.1541 18.3777 20.2793 TIMING: 4950800 CPU: 14336.2, 0.00289871/step Wall: 14336.2, 0.00289871/step, 0.0396157 hours remaining, 213.890625 MB of memory in use. ENERGY: 4950800 759.8829 2059.7632 1969.3947 123.6507 -205549.1909 17483.8227 0.0000 0.0000 34141.4470 -149011.2296 298.1657 -183152.6766 -148912.8318 299.8502 -165.1269 -130.8513 556671.2321 2.0927 1.9579 PRESSURE: 4951000 17.7259 -67.0636 -0.033765 -67.0647 6.80343 288.386 -0.032128 288.387 -123.035 GPRESSURE: 4951000 13.4527 -68.376 22.4914 -43.4516 62.1394 292.005 -70.2177 235.161 -67.5812 PRESSAVG: 4951000 -7.88565 7.15999 -14.1296 7.15989 5.74273 11.7401 -14.1296 11.7401 37.169 GPRESSAVG: 4951000 -7.74606 9.54698 -12.1625 4.24744 4.18385 12.6311 -16.9701 11.8155 38.687 TIMING: 4951000 CPU: 14336.8, 0.00292975/step Wall: 14336.8, 0.00292975/step, 0.0398772 hours remaining, 213.890625 MB of memory in use. ENERGY: 4951000 743.6032 2069.5121 1947.6341 102.8035 -205543.2097 17435.1063 0.0000 0.0000 34323.5496 -148921.0008 299.7561 -183244.5504 -148825.4589 299.5880 -32.8353 2.6703 556354.2807 11.6754 11.7083 PRESSURE: 4951200 106.386 116.946 -162.013 116.946 417.321 -22.9131 -162.013 -22.9135 223.736 GPRESSURE: 4951200 148.348 85.5349 -101.553 93.8016 449.126 -63.6519 -107.067 10.5482 251.193 PRESSAVG: 4951200 -49.3077 49.5753 -55.8021 49.5752 9.56791 -27.7788 -55.8021 -27.7789 -4.09797 GPRESSAVG: 4951200 -49.3658 48.9918 -56.813 51.9106 9.40135 -28.0508 -54.2271 -26.6939 -3.93967 TIMING: 4951200 CPU: 14337.3, 0.00290906/step Wall: 14337.3, 0.00290906/step, 0.0394339 hours remaining, 213.890625 MB of memory in use. ENERGY: 4951200 704.4638 2115.1524 1939.9725 112.0956 -206340.7508 18122.2740 0.0000 0.0000 34537.9484 -148808.8441 301.6285 -183346.7926 -148713.2494 300.9992 249.1475 282.8890 556855.9797 -14.6126 -14.6347 PRESSURE: 4951400 -121.533 104.763 55.8421 104.764 -313.111 -195.251 55.8426 -195.251 -89.4549 GPRESSURE: 4951400 -59.5656 84.7518 102.692 59.5272 -271.773 -204.94 63.5355 -164.324 -82.0582 PRESSAVG: 4951400 -8.1298 -12.8486 4.65527 -12.8485 9.45165 -42.739 4.65532 -42.7392 25.1669 GPRESSAVG: 4951400 -7.98168 -12.287 6.85553 -15.0964 9.7848 -42.7186 4.93843 -43.6104 24.9353 TIMING: 4951400 CPU: 14337.9, 0.00289918/step Wall: 14337.9, 0.00289918/step, 0.0391389 hours remaining, 213.890625 MB of memory in use. ENERGY: 4951400 729.1008 2081.6921 1944.6085 114.1906 -205591.0907 17337.4448 0.0000 0.0000 34587.2338 -148796.8200 302.0589 -183384.0538 -148697.4364 301.1549 -174.6998 -137.7989 558222.8429 8.8296 8.9128 PRESSURE: 4951600 -59.1714 -13.2357 50.8597 -13.2341 174.818 -195.221 50.8588 -195.22 207.344 GPRESSURE: 4951600 0.971903 -48.6219 13.5757 49.9092 187.398 -191.934 139.611 -108.388 228.072 PRESSAVG: 4951600 -31.9487 -40.5463 3.35922 -40.5463 -2.01698 -9.28339 3.35912 -9.28332 37.9357 GPRESSAVG: 4951600 -32.3014 -42.2946 1.42068 -39.874 -2.0889 -10.4637 3.81575 -9.00817 38.4364 TIMING: 4951600 CPU: 14338.5, 0.00291806/step Wall: 14338.5, 0.00291807/step, 0.0392318 hours remaining, 213.890625 MB of memory in use. ENERGY: 4951600 750.2657 2096.3489 1946.7153 110.2960 -206275.7511 17994.8831 0.0000 0.0000 34590.2245 -148787.0176 302.0850 -183377.2421 -148688.6355 301.1896 107.6633 138.8142 558199.6598 1.3233 1.3487 PRESSURE: 4951800 -117.574 -59.9376 11.0837 -59.9374 127.587 85.8634 11.0835 85.861 -21.0588 GPRESSURE: 4951800 -72.2528 -75.0496 71.7204 -77.6665 157.181 83.0707 -54.3738 117.394 10.9128 PRESSAVG: 4951800 -16.8568 30.637 -42.9184 30.637 -0.304269 -20.4866 -42.9184 -20.4866 18.0107 GPRESSAVG: 4951800 -16.3772 32.3189 -41.196 29.4985 0.950946 -18.2243 -43.3253 -21.9727 16.0518 TIMING: 4951800 CPU: 14339.1, 0.00291284/step Wall: 14339.1, 0.00291284/step, 0.0389997 hours remaining, 213.890625 MB of memory in use. ENERGY: 4951800 743.5450 2074.7231 1947.3305 106.2820 -205834.1122 17722.3314 0.0000 0.0000 34568.0005 -148671.8997 301.8909 -183239.9002 -148574.0474 300.9841 -3.6819 31.9471 558368.1116 0.2832 0.2085 PRESSURE: 4952000 -280.755 32.442 -89.675 32.4413 -18.8258 105.54 -89.6748 105.54 -70.0492 GPRESSURE: 4952000 -221.849 -61.3204 -154.991 66.5997 11.9478 55.4626 -107.583 151.293 -58.4145 PRESSAVG: 4952000 -39.6412 15.7809 29.5492 15.7808 31.6275 60.8275 29.5493 60.8276 26.2971 GPRESSAVG: 4952000 -41.2043 12.8424 27.2046 17.8085 31.4286 58.8385 28.5172 60.6833 27.2383 TIMING: 4952000 CPU: 14339.7, 0.00292657/step Wall: 14339.7, 0.00292657/step, 0.0390209 hours remaining, 213.890625 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: 4952000 764.5728 2040.9652 1955.4212 100.7557 -205692.8294 17768.7029 0.0000 0.0000 34392.3994 -148670.0122 300.3574 -183062.4117 -148575.5804 300.3731 -123.2101 -89.4386 560137.5254 6.0945 5.8209 PRESSURE: 4952200 126.487 92.6441 153.546 92.6421 99.9939 -9.01186 153.546 -9.00955 110.069 GPRESSURE: 4952200 131.86 170.253 129.422 177.652 158.898 55.4804 157.978 -32.745 134.576 PRESSAVG: 4952200 6.69199 -1.88694 7.86358 -1.88706 47.5702 -3.89041 7.86354 -3.8904 -18.9017 GPRESSAVG: 4952200 7.55785 0.57906 10.2815 -4.41678 46.9654 -3.05939 7.00234 -2.02331 -19.1232 TIMING: 4952200 CPU: 14340.2, 0.0028973/step Wall: 14340.2, 0.0028973/step, 0.0384697 hours remaining, 213.890625 MB of memory in use. ENERGY: 4952200 713.7211 2104.6217 1966.4214 114.1957 -206200.0945 18015.8726 0.0000 0.0000 34451.1702 -148834.0918 300.8706 -183285.2620 -148737.6618 300.1918 112.1836 141.7776 558708.9837 11.7868 11.8000 LDB: ============= START OF LOAD BALANCING ============== 14343.6 LDB: ============== END OF LOAD BALANCING =============== 14343.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14343.6 LDB: ============= START OF LOAD BALANCING ============== 14343.9 LDB: Largest compute 4772 load 0.027079 is 22.9% of average load 0.118009 LDB: Average compute 0.001730 is 1.5% of average load 0.118009 LDB: TIME 14343.9 LOAD: AVG 0.118009 MAX 0.179395 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.309 MB LDB: TIME 14343.9 LOAD: AVG 0.118009 MAX 0.179395 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.348 MB LDB: TIME 14343.9 LOAD: AVG 0.118009 MAX 0.179395 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14343.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14343.9 PRESSURE: 4952400 -115.601 -106.649 73.3502 -106.649 -142.033 -39.6009 73.3494 -39.6016 -141.313 GPRESSURE: 4952400 -70.5897 -161.524 53.4892 -101.098 -160.859 -124.706 71.3256 42.7779 -70.7676 PRESSAVG: 4952400 39.4646 -2.57008 -31.2343 -2.57019 -68.0309 43.5145 -31.2343 43.5143 77.6147 GPRESSAVG: 4952400 39.9689 -4.5414 -35.9908 -0.302508 -68.7803 43.8791 -27.5738 44.034 77.5182 TIMING: 4952400 CPU: 14340.8, 0.00294562/step Wall: 14340.8, 0.00294562/step, 0.0389477 hours remaining, 212.343750 MB of memory in use. ENERGY: 4952400 767.9945 2005.6789 1941.3918 120.3166 -205529.9251 17448.6190 0.0000 0.0000 34350.5672 -148895.3571 299.9920 -183245.9243 -148806.0908 300.4430 -132.9824 -100.7388 558607.4441 16.3495 16.2356 PRESSURE: 4952600 138.345 73.0301 33.4824 73.0291 91.2902 -58.0755 33.4824 -58.0744 200.334 GPRESSURE: 4952600 74.2475 45.5152 26.2082 119.445 188.643 -140.926 -47.0579 19.198 264.321 PRESSAVG: 4952600 42.4325 -5.49679 17.1114 -5.49682 -23.7344 -47.0558 17.1114 -47.0559 37.2171 GPRESSAVG: 4952600 42.3186 -4.56686 19.431 -5.74041 -22.4651 -46.3944 14.5622 -48.7533 36.8127 TIMING: 4952600 CPU: 14341.4, 0.00291072/step Wall: 14341.4, 0.00291072/step, 0.0383245 hours remaining, 212.343750 MB of memory in use. ENERGY: 4952600 758.6155 2032.0922 1959.9956 105.1142 -206262.6690 17986.2333 0.0000 0.0000 34410.2129 -149010.4052 300.5129 -183420.6182 -148911.3607 299.9902 143.3233 175.7370 558434.4886 18.6384 18.8887 PRESSURE: 4952800 171.884 -2.48876 -37.4812 -2.48906 322.425 -184.241 -37.4817 -184.241 284.522 GPRESSURE: 4952800 196.108 -54.6068 -60.0072 -5.70924 331.472 -212.843 36.6646 -135.091 340.396 PRESSAVG: 4952800 5.35803 27.4986 47.0858 27.4986 -19.1667 18.6252 47.0857 18.6251 2.38594 GPRESSAVG: 4952800 5.52252 28.2768 47.2106 27.0657 -19.3577 18.3008 47.8347 19.7999 2.28069 TIMING: 4952800 CPU: 14342, 0.00292381/step Wall: 14342, 0.00292381/step, 0.0383344 hours remaining, 212.343750 MB of memory in use. ENERGY: 4952800 746.3509 2057.0702 1933.6043 114.7072 -206220.6286 18147.2493 0.0000 0.0000 34234.5452 -148987.1014 298.9788 -183221.6467 -148889.6997 299.5957 259.6103 289.3255 557615.2226 -3.8076 -3.8515 PRESSURE: 4953000 144.247 130.145 5.29286 130.146 -172.354 -15.5898 5.29367 -15.589 238.103 GPRESSURE: 4953000 119.697 152.43 66.5368 96.9644 -90.9118 -32.274 -48.1526 2.79475 273.891 PRESSAVG: 4953000 27.9862 -18.0429 18.2562 -18.0429 -30.5121 43.8352 18.2562 43.8352 33.6988 GPRESSAVG: 4953000 26.5605 -20.1151 20.3801 -17.8985 -30.3806 42.1895 17.0156 43.0893 34.989 TIMING: 4953000 CPU: 14342.6, 0.00291365/step Wall: 14342.6, 0.00291365/step, 0.0380393 hours remaining, 212.343750 MB of memory in use. ENERGY: 4953000 748.1701 2082.2358 1947.3251 104.2312 -205950.1212 17839.0655 0.0000 0.0000 34303.4419 -148925.6516 299.5805 -183229.0935 -148833.1840 300.0733 69.9990 100.8921 557963.5492 10.3909 10.3896 PRESSURE: 4953200 -97.2988 89.5511 11.9523 89.5506 -78.2585 64.5277 11.9537 64.5277 -353.533 GPRESSURE: 4953200 -58.4627 59.9116 -37.6322 114.428 -45.5211 138.15 13.3231 -37.8004 -320.013 PRESSAVG: 4953200 -43.0536 5.62062 -32.995 5.6207 -8.65534 -40.1924 -32.995 -40.1923 31.9946 GPRESSAVG: 4953200 -41.4616 8.62772 -33.6227 4.00614 -8.55945 -39.3315 -33.0969 -39.4335 30.965 TIMING: 4953200 CPU: 14343.2, 0.00290936/step Wall: 14343.2, 0.00290936/step, 0.0378217 hours remaining, 212.343750 MB of memory in use. ENERGY: 4953200 761.5593 2071.5199 1920.4303 124.2846 -205872.3614 17631.0536 0.0000 0.0000 34435.6981 -148927.8155 300.7355 -183363.5136 -148829.9808 300.1170 -176.3636 -141.3323 557759.9766 -6.5714 -6.3520 PRESSURE: 4953400 54.7255 69.6909 -28.6589 69.6926 -82.4696 81.73 -28.6596 81.7301 225.883 GPRESSURE: 4953400 94.2491 86.9065 -23.5549 86.0051 -85.2153 -40.245 -47.5469 128.103 269.157 PRESSAVG: 4953400 -65.1399 94.1802 6.8939 94.1802 64.6396 10.6499 6.89393 10.6498 71.3664 GPRESSAVG: 4953400 -65.4699 90.5627 5.83398 96.3331 64.4569 9.81388 7.56431 10.7837 72.0011 TIMING: 4953400 CPU: 14343.7, 0.00289919/step Wall: 14343.7, 0.00289919/step, 0.0375284 hours remaining, 212.343750 MB of memory in use. ENERGY: 4953400 732.2688 2074.4633 1941.6143 112.2525 -205811.4250 17718.5251 0.0000 0.0000 34368.5510 -148863.7500 300.1491 -183232.3010 -148765.4623 300.4187 66.0462 92.7303 557747.7286 23.6220 23.6627 PRESSURE: 4953600 69.4877 -47.4592 -121.855 -47.4584 -182.483 -68.6129 -121.856 -68.6139 283.446 GPRESSURE: 4953600 149.806 -52.5931 -45.3048 -26.2788 -182.376 1.48033 -85.8368 -144.857 304.897 PRESSAVG: 4953600 -40.1731 28.3403 29.6017 28.3403 -27.7392 -30.7303 29.6016 -30.7303 101.074 GPRESSAVG: 4953600 -39.6138 30.0078 29.3522 27.019 -27.8355 -28.6751 29.715 -32.4519 100.787 TIMING: 4953600 CPU: 14344.3, 0.00291754/step Wall: 14344.3, 0.00291754/step, 0.0376039 hours remaining, 212.343750 MB of memory in use. ENERGY: 4953600 711.7257 2120.0422 1958.4823 103.4499 -205824.4868 17654.2262 0.0000 0.0000 34408.0163 -148868.5442 300.4938 -183276.5605 -148766.1625 300.7434 56.8170 90.7757 558273.0972 11.0538 11.1125 PRESSURE: 4953800 -204.526 -80.236 -92.9307 -80.2364 -174.446 126.931 -92.9315 126.93 -299.812 GPRESSURE: 4953800 -205.436 -86.0793 -139.098 -34.4879 -210.693 150.137 -49.9863 95.0494 -156.305 PRESSAVG: 4953800 -27.9431 31.6738 -14.0277 31.6738 -51.5059 20.9794 -14.0278 20.9794 69.3919 GPRESSAVG: 4953800 -27.088 31.11 -14.5447 33.4948 -53.0211 21.5628 -12.3893 21.7493 69.6048 TIMING: 4953800 CPU: 14344.9, 0.0029135/step Wall: 14344.9, 0.0029135/step, 0.0373899 hours remaining, 212.343750 MB of memory in use. ENERGY: 4953800 749.0187 2097.0881 1951.9786 114.4348 -205439.1199 17479.6401 0.0000 0.0000 34309.5848 -148737.3748 299.6341 -183046.9596 -148641.6959 299.7755 -226.2612 -190.8113 558795.3618 -3.3523 -3.5014 PRESSURE: 4954000 -186.021 200.418 81.5005 200.418 -168.633 33.3704 81.5005 33.3691 -188.485 GPRESSURE: 4954000 -138.279 265.449 93.0938 120.461 -145.905 15.5623 99.5127 -26.1023 -160.704 PRESSAVG: 4954000 -23.7113 3.09769 32.0511 3.09771 -1.07021 14.3538 32.0511 14.3539 26.1634 GPRESSAVG: 4954000 -24.3154 1.59471 30.6018 4.92064 0.0775007 12.0285 31.0418 14.0728 25.7473 TIMING: 4954000 CPU: 14345.5, 0.00291785/step Wall: 14345.5, 0.00291785/step, 0.0372836 hours remaining, 212.343750 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: 4954000 727.0864 2056.5859 1944.1245 108.6407 -205602.6360 17589.5199 0.0000 0.0000 34330.0200 -148846.6587 299.8126 -183176.6787 -148749.8619 300.2567 -181.0466 -148.2958 558635.3007 0.4606 0.5031 PRESSURE: 4954200 167.693 174.858 80.7795 174.858 294.257 -42.4394 80.7808 -42.4369 42.3544 GPRESSURE: 4954200 214.591 102.782 97.0466 292.519 374.701 -77.934 68.6889 44.1925 16.9077 PRESSAVG: 4954200 49.4471 41.5899 5.59764 41.5898 -32.3984 -45.0351 5.59757 -45.0351 -63.9715 GPRESSAVG: 4954200 48.5182 44.3549 6.70119 38.907 -32.392 -44.1502 5.99415 -45.8178 -63.2026 TIMING: 4954200 CPU: 14346.1, 0.00287731/step Wall: 14346.1, 0.00287731/step, 0.0366057 hours remaining, 212.343750 MB of memory in use. ENERGY: 4954200 721.4829 2059.8421 1939.3447 108.1177 -206040.3757 18077.0389 0.0000 0.0000 34311.2451 -148823.3042 299.6486 -183134.5494 -148732.4543 300.1965 168.1014 202.0667 556957.0407 -15.6409 -15.6921 PRESSURE: 4954400 -7.79318 118.797 78.0395 118.797 -66.3553 -16.7323 78.0396 -16.7315 -100.727 GPRESSURE: 4954400 30.1821 209.335 132.598 191.189 -37.9224 -0.864588 4.12371 4.6226 -86.6937 PRESSAVG: 4954400 53.3889 58.2178 12.4202 58.2178 54.3215 -6.75934 12.4203 -6.75917 -61.5095 GPRESSAVG: 4954400 52.882 57.2585 13.874 59.4123 53.559 -6.87834 11.1865 -6.9851 -60.5689 TIMING: 4954400 CPU: 14346.7, 0.00291854/step Wall: 14346.7, 0.00291854/step, 0.0369682 hours remaining, 212.343750 MB of memory in use. ENERGY: 4954400 752.4357 2095.7746 1958.4784 109.3342 -206101.0541 17747.6549 0.0000 0.0000 34514.2649 -148923.1114 301.4217 -183437.3763 -148826.1073 300.6755 -58.2918 -31.4780 557282.2765 15.4003 15.2907 PRESSURE: 4954600 3.65876 -28.6628 -120.178 -28.6625 -94.4234 175.675 -120.177 175.676 44.1449 GPRESSURE: 4954600 31.8487 -69.0055 -117.614 47.0304 -77.0772 131.061 -155.609 188.149 101.264 PRESSAVG: 4954600 51.1815 47.0148 -6.42793 47.0147 8.68669 23.2964 -6.42798 23.2962 -44.4632 GPRESSAVG: 4954600 51.2449 46.4825 -6.42749 46.7725 9.29028 21.7638 -4.80481 25.1892 -45.0909 TIMING: 4954600 CPU: 14347.2, 0.00289598/step Wall: 14347.2, 0.00289598/step, 0.0365215 hours remaining, 212.343750 MB of memory in use. ENERGY: 4954600 731.6294 2030.0711 1934.6233 105.3082 -205882.9598 17774.1076 0.0000 0.0000 34297.5985 -149009.6217 299.5295 -183307.2202 -148905.7090 300.1424 -15.5399 18.6785 558331.7135 5.1350 5.1481 PRESSURE: 4954800 111.474 -173.322 -49.8142 -173.322 -169.27 -18.5638 -49.8133 -18.5633 -104.482 GPRESSURE: 4954800 115.131 -186.526 20.1666 -246.158 -113.914 -82.8223 -119.264 50.5233 -72.0904 PRESSAVG: 4954800 51.2948 -8.7305 -3.00266 -8.73059 19.1036 -3.67746 -3.00268 -3.67732 -69.2997 GPRESSAVG: 4954800 51.4918 -8.07209 -3.13406 -9.34169 19.2339 -3.39022 -4.99504 -3.82458 -70.146 TIMING: 4954800 CPU: 14347.8, 0.00292417/step Wall: 14347.8, 0.00292417/step, 0.0367146 hours remaining, 212.343750 MB of memory in use. ENERGY: 4954800 722.3363 2079.0418 1941.6781 110.0487 -206049.2016 17896.9222 0.0000 0.0000 34255.8330 -149043.3415 299.1647 -183299.1745 -148942.0677 299.8614 -54.0924 -23.6244 559036.1719 0.3663 0.1932 PRESSURE: 4955000 173.863 -64.0928 -175.807 -64.0915 -208.091 5.87961 -175.808 5.87807 44.6941 GPRESSURE: 4955000 224.6 -46.7305 -120.085 -79.2853 -234.002 -9.26522 -229.424 63.4727 113.658 PRESSAVG: 4955000 -10.2239 -33.4269 12.7835 -33.4269 -68.2474 -5.88594 12.7834 -5.88583 67.0375 GPRESSAVG: 4955000 -9.5629 -33.7108 11.4327 -33.234 -69.8657 -5.8789 14.5789 -5.31875 67.5335 TIMING: 4955000 CPU: 14348.4, 0.00291022/step Wall: 14348.4, 0.00291022/step, 0.0363778 hours remaining, 212.343750 MB of memory in use. ENERGY: 4955000 745.2229 2102.9477 1939.3095 118.3388 -206285.5837 17999.0051 0.0000 0.0000 34268.9401 -149111.8196 299.2792 -183380.7597 -149011.2320 299.9433 3.4888 34.7520 559433.9300 -3.8113 -3.9650 PRESSURE: 4955200 -115.381 53.2019 -155.415 53.2013 -337.93 8.98127 -155.417 8.98147 25.6957 GPRESSURE: 4955200 -111.88 28.6973 -132.64 80.1852 -225.025 18.3255 -101.495 -18.208 3.14046 PRESSAVG: 4955200 14.4266 -41.2708 -30.0341 -41.2708 24.7985 4.29712 -30.0341 4.29713 -13.1243 GPRESSAVG: 4955200 14.4749 -38.892 -27.4435 -43.0095 25.2098 6.10697 -32.8603 1.97133 -13.3608 TIMING: 4955200 CPU: 14349, 0.00291621/step Wall: 14349, 0.00291621/step, 0.0362906 hours remaining, 212.343750 MB of memory in use. ENERGY: 4955200 763.3954 2064.5095 1952.2187 117.1494 -205612.8143 17464.1014 0.0000 0.0000 34267.5177 -148983.9223 299.2668 -183251.4400 -148889.8737 299.6542 -142.5384 -111.2547 558147.1529 8.7003 8.7746 PRESSURE: 4955400 -75.1494 -128.058 -31.1644 -128.057 181.781 166.433 -31.1652 166.433 86.6319 GPRESSURE: 4955400 -49.2402 -125.24 -86.2994 -69.2982 258.742 190.304 10.9195 144.009 67.9314 PRESSAVG: 4955400 14.149 -1.547 -13.9668 -1.54693 24.8958 -2.19075 -13.9668 -2.19075 4.42304 GPRESSAVG: 4955400 13.0702 -3.65112 -16.2075 1.1063 26.0463 -4.27427 -12.1869 -1.23327 4.4387 TIMING: 4955400 CPU: 14349.6, 0.00289569/step Wall: 14349.6, 0.00289569/step, 0.0358744 hours remaining, 212.343750 MB of memory in use. ENERGY: 4955400 698.1261 2079.8532 1934.5869 111.7634 -205822.2650 17611.8340 0.0000 0.0000 34323.0128 -149063.0886 299.7514 -183386.1014 -148963.8513 299.7986 64.4213 92.4777 556983.0595 14.4893 14.5184 PRESSURE: 4955600 -216.423 2.8058 -42.8745 2.80582 91.4999 -10.2988 -42.8738 -10.2995 -216.096 GPRESSURE: 4955600 -195.761 -28.1963 25.0055 22.574 87.0598 -25.8628 -89.0758 -22.0219 -131.081 PRESSAVG: 4955600 -104.227 -9.35966 -19.1078 -9.35974 107.588 8.46904 -19.1079 8.46898 -16.5331 GPRESSAVG: 4955600 -104.395 -8.91336 -17.9623 -11.7616 106.896 8.99341 -21.3006 9.63779 -15.4123 TIMING: 4955600 CPU: 14350.2, 0.0029253/step Wall: 14350.2, 0.0029253/step, 0.0360787 hours remaining, 212.343750 MB of memory in use. ENERGY: 4955600 742.3022 2093.8025 1966.4015 111.7048 -205864.9349 17598.7799 0.0000 0.0000 34264.4044 -149087.5395 299.2396 -183351.9439 -148999.8249 299.6676 -113.6731 -79.9274 556683.2316 -4.3908 -4.3038 PRESSURE: 4955800 -379.666 189.994 16.3597 189.992 54.3741 43.3692 16.359 43.3702 10.0711 GPRESSURE: 4955800 -345.829 187.322 42.1329 131.485 100.409 40.1528 43.3575 -39.9509 23.9143 PRESSAVG: 4955800 -55.261 -37.5478 -27.0958 -37.5478 0.434122 23.6601 -27.0958 23.6601 11.5057 GPRESSAVG: 4955800 -53.8357 -39.3211 -27.2033 -36.0941 -0.540115 23.864 -25.911 22.6629 10.6408 TIMING: 4955800 CPU: 14350.7, 0.00292786/step Wall: 14350.7, 0.00292786/step, 0.0359476 hours remaining, 212.343750 MB of memory in use. ENERGY: 4955800 761.7722 2075.4599 1946.9518 107.0322 -206291.1988 17772.9446 0.0000 0.0000 34474.0092 -149153.0290 301.0701 -183627.0381 -149052.9235 299.4387 -105.0737 -73.8352 557796.6322 -14.4404 -14.5783 PRESSURE: 4956000 -51.4503 186.513 -122.345 186.513 -162.695 25.5128 -122.344 25.5137 -227.249 GPRESSURE: 4956000 -4.38141 200.114 -208.198 181.18 -114.566 33.1081 -78.0782 -21.3076 -224.853 PRESSAVG: 4956000 -25.1386 40.7762 2.74961 40.7762 48.9644 33.4135 2.74952 33.4134 6.52617 GPRESSAVG: 4956000 -27.0299 41.2607 3.60875 41.6439 49.9473 32.7944 3.51758 32.9236 7.56975 TIMING: 4956000 CPU: 14351.3, 0.00292289/step Wall: 14351.3, 0.00292289/step, 0.0357242 hours remaining, 212.343750 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: 4956000 758.8511 2094.7880 1953.1722 111.8068 -205901.4022 17525.9780 0.0000 0.0000 34273.8763 -149182.9299 299.3223 -183456.8062 -149080.8173 299.7193 -147.1314 -114.6003 557226.3794 10.1173 10.1624 PRESSURE: 4956200 -55.0939 28.1226 -21.0582 28.1229 -79.4463 -102.683 -21.0581 -102.686 -63.1651 GPRESSURE: 4956200 -44.2511 -79.3076 -7.31242 97.9485 -83.9981 -75.3826 -58.3246 -92.1365 22.4597 PRESSAVG: 4956200 -56.2882 -32.6465 -8.49936 -32.6465 -1.6338 -24.3279 -8.4993 -24.3279 30.9062 GPRESSAVG: 4956200 -55.2199 -33.8482 -10.0636 -33.0926 -1.66706 -25.3056 -8.51238 -23.1257 29.846 TIMING: 4956200 CPU: 14351.9, 0.00289368/step Wall: 14351.9, 0.00289368/step, 0.0352064 hours remaining, 212.343750 MB of memory in use. ENERGY: 4956200 759.3002 2088.8151 1983.2966 113.0010 -205987.5642 17742.3868 0.0000 0.0000 34233.6326 -149067.1318 298.9708 -183300.7645 -148977.8551 300.0077 -65.9018 -35.2631 556813.9700 -9.0053 -9.0137 LDB: ============= START OF LOAD BALANCING ============== 14355.3 LDB: ============== END OF LOAD BALANCING =============== 14355.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14355.3 LDB: ============= START OF LOAD BALANCING ============== 14355.6 LDB: Largest compute 4773 load 0.026159 is 22.2% of average load 0.118060 LDB: Average compute 0.001729 is 1.5% of average load 0.118060 LDB: TIME 14355.6 LOAD: AVG 0.11806 MAX 0.178619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.512 MB LDB: TIME 14355.6 LOAD: AVG 0.11806 MAX 0.178619 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: TIME 14355.6 LOAD: AVG 0.11806 MAX 0.178619 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: ============== END OF LOAD BALANCING =============== 14355.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14355.6 PRESSURE: 4956400 -231.229 -6.74206 123.43 -6.74205 -77.1092 -5.92182 123.43 -5.92169 -182.98 GPRESSURE: 4956400 -260.062 -11.6751 49.9945 13.7083 -9.23407 -28.5753 124.916 -80.5848 -118.523 PRESSAVG: 4956400 -17.0907 -45.1638 30.8943 -45.1638 13.7788 -59.6372 30.8943 -59.6372 45.0361 GPRESSAVG: 4956400 -17.0693 -44.2717 31.0103 -43.8629 12.8733 -55.9515 30.4799 -60.2928 45.7391 TIMING: 4956400 CPU: 14352.5, 0.00298487/step Wall: 14352.5, 0.00298487/step, 0.0361501 hours remaining, 212.597656 MB of memory in use. ENERGY: 4956400 752.6857 2112.1363 1974.6234 118.1168 -206028.8479 17538.0316 0.0000 0.0000 34377.5196 -149155.7345 300.2274 -183533.2541 -149055.8283 300.2578 -163.7728 -129.2729 557151.7665 13.9081 13.8477 PRESSURE: 4956600 7.72159 42.3128 62.5068 42.3133 -55.6285 2.90205 62.5064 2.90223 -41.5149 GPRESSURE: 4956600 -11.8444 81.4433 123.149 10.4453 -14.5665 19.8682 143.182 -50.6292 31.8683 PRESSAVG: 4956600 -31.1336 69.7043 39.9092 69.7044 -29.0595 14.4896 39.9092 14.4896 11.5339 GPRESSAVG: 4956600 -31.0152 69.8031 41.3017 67.8893 -28.2533 12.8811 39.6595 13.6319 10.6319 TIMING: 4956600 CPU: 14353.1, 0.00293797/step Wall: 14353.1, 0.00293797/step, 0.0354188 hours remaining, 213.062500 MB of memory in use. ENERGY: 4956600 794.4722 2065.3589 1960.7660 129.0945 -206269.7571 17815.0434 0.0000 0.0000 34243.1982 -149261.8239 299.0544 -183505.0221 -149164.6001 300.0705 -29.8073 1.8191 557511.3597 -16.2197 -16.2122 PRESSURE: 4956800 221.526 9.22184 -62.382 9.2222 52.5179 140.896 -62.3814 140.897 85.804 GPRESSURE: 4956800 246.829 17.3174 -145.867 -35.3518 117.043 124.31 -36.0491 196.294 91.1005 PRESSAVG: 4956800 47.253 33.997 -6.67106 33.997 56.9059 -7.69429 -6.67099 -7.69434 -102.582 GPRESSAVG: 4956800 45.6746 35.0421 -8.61583 34.0274 58.3472 -9.25701 -6.33133 -5.52058 -101.711 TIMING: 4956800 CPU: 14353.7, 0.00292294/step Wall: 14353.7, 0.00292294/step, 0.0350753 hours remaining, 213.062500 MB of memory in use. ENERGY: 4956800 742.3225 2120.2736 1949.8579 128.1910 -206240.2040 17923.9432 0.0000 0.0000 34325.1688 -149050.4470 299.7702 -183375.6158 -148953.3946 299.4852 119.9493 151.6577 557352.3986 0.5257 0.7701 PRESSURE: 4957000 220.463 63.0347 47.1754 63.0361 13.9493 -81.2789 47.1745 -81.2783 291.531 GPRESSURE: 4957000 280.331 53.447 18.009 75.8925 54.394 -72.6141 58.2642 -114.855 285.952 PRESSAVG: 4957000 64.7204 36.355 -20.6644 36.355 -107.062 -16.9507 -20.6644 -16.9507 2.82344 GPRESSAVG: 4957000 65.1146 34.9644 -19.4592 36.8925 -107.754 -16.8425 -20.7749 -17.2866 3.21122 TIMING: 4957000 CPU: 14354.2, 0.00288637/step Wall: 14354.2, 0.00288637/step, 0.0344761 hours remaining, 213.062500 MB of memory in use. ENERGY: 4957000 711.2029 2050.7676 1928.3956 116.0735 -206264.4209 18046.8957 0.0000 0.0000 34122.1075 -149288.9781 297.9969 -183411.0856 -149183.8042 298.6123 175.3144 206.8923 557869.5529 -13.1728 -13.1428 PRESSURE: 4957200 93.0858 206.604 8.19463 206.606 -236.733 190.071 8.19566 190.071 -126.152 GPRESSURE: 4957200 106.643 125.881 -60.6355 176.167 -203.879 218.549 33.7721 131.777 -86.9477 PRESSAVG: 4957200 31.3469 55.7067 30.2205 55.7067 -5.89095 -31.8245 30.2204 -31.8246 -19.0683 GPRESSAVG: 4957200 31.8217 55.4584 30.7717 55.6726 -5.76241 -29.7965 29.2524 -33.4106 -19.5518 TIMING: 4957200 CPU: 14354.8, 0.00287705/step Wall: 14354.8, 0.00287705/step, 0.0342049 hours remaining, 213.062500 MB of memory in use. ENERGY: 4957200 725.9523 2121.0517 1967.2005 106.3934 -206315.0829 17812.6201 0.0000 0.0000 34299.8607 -149282.0041 299.5492 -183581.8647 -149181.9711 299.1761 -89.9333 -61.3945 558861.8073 2.1292 2.1692 PRESSURE: 4957400 255.632 -103.252 -38.9372 -103.251 -221.981 -32.7141 -38.9374 -32.7161 224.399 GPRESSURE: 4957400 339.901 -85.3805 -92.0382 -96.3765 -195.477 -144.92 -43.377 32.3684 211.767 PRESSAVG: 4957400 46.155 9.6317 13.8296 9.63167 -132.474 65.7014 13.8297 65.7015 17.9023 GPRESSAVG: 4957400 45.3659 10.6117 15.6372 10.7811 -131.409 64.2741 13.5885 66.851 17.4635 TIMING: 4957400 CPU: 14355.4, 0.00289659/step Wall: 14355.4, 0.00289659/step, 0.0342763 hours remaining, 213.062500 MB of memory in use. ENERGY: 4957400 799.6455 2104.5547 1959.9568 123.5380 -206748.1814 18085.9213 0.0000 0.0000 34354.2886 -149320.2764 300.0245 -183674.5650 -149224.5986 299.6543 86.0166 118.7305 556740.6046 -22.8055 -22.8598 PRESSURE: 4957600 -36.2553 -74.7557 123.27 -74.7572 -96.101 -41.9408 123.272 -41.9399 -157.567 GPRESSURE: 4957600 -8.98588 -97.3836 177.513 -36.8898 -61.8786 5.70004 121.206 -60.3975 -110.421 PRESSAVG: 4957600 93.4271 -7.30664 21.9002 -7.30664 -87.9497 -58.0976 21.9002 -58.0976 9.39837 GPRESSAVG: 4957600 95.652 -7.61887 19.3424 -8.29586 -89.4448 -57.4942 23.472 -60.2767 9.38041 TIMING: 4957600 CPU: 14356, 0.00292734/step Wall: 14356, 0.00292733/step, 0.0344775 hours remaining, 213.062500 MB of memory in use. ENERGY: 4957600 778.5668 2144.0779 1964.9330 125.6133 -206102.6330 17772.6105 0.0000 0.0000 34068.8828 -149247.9487 297.5320 -183316.8314 -149150.1952 299.3723 -96.6412 -60.4284 557950.4814 4.9586 5.1959 PRESSURE: 4957800 -324.549 -25.6612 34.5306 -25.6617 -407.694 173.222 34.531 173.222 -342.697 GPRESSURE: 4957800 -269.276 -24.2577 -40.9464 -20.0371 -373.335 152.808 40.8745 151.804 -332.746 PRESSAVG: 4957800 77.9338 26.8428 -2.29481 26.8428 -62.5686 -42.4684 -2.29477 -42.4684 -10.647 GPRESSAVG: 4957800 76.2792 24.6213 -2.2638 27.3575 -61.3218 -44.1004 -3.27573 -41.8479 -9.7854 TIMING: 4957800 CPU: 14356.6, 0.00293779/step Wall: 14356.6, 0.00293779/step, 0.0344374 hours remaining, 213.062500 MB of memory in use. ENERGY: 4957800 739.3629 2091.8190 1919.0018 111.8744 -205790.8886 17400.7999 0.0000 0.0000 34171.5991 -149356.4315 298.4291 -183528.0306 -149253.5924 298.8095 -358.3132 -325.1190 558381.2682 1.5727 1.7240 PRESSURE: 4958000 -207.348 58.6721 -188.173 58.6707 -77.4295 38.9166 -188.173 38.9166 -235.135 GPRESSURE: 4958000 -154.082 1.60205 -150.901 43.8693 -40.5059 -6.00235 -217.782 71.2328 -220.501 PRESSAVG: 4958000 35.0322 11.6955 -26.5733 11.6954 -20.8339 -30.3139 -26.5733 -30.314 26.7562 GPRESSAVG: 4958000 36.7332 12.6284 -28.5997 12.1038 -21.9098 -28.3253 -24.7378 -29.67 26.3588 TIMING: 4958000 CPU: 14357.2, 0.00291752/step Wall: 14357.2, 0.00291752/step, 0.0340378 hours remaining, 213.062500 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: 4958000 748.0570 2083.6742 1946.3696 114.4328 -206052.9999 17666.4825 0.0000 0.0000 34259.5649 -149234.4189 299.1973 -183493.9837 -149138.9921 299.3535 -173.3042 -138.3632 558201.1917 13.6515 13.7274 PRESSURE: 4958200 -280.131 10.9721 -105.197 10.9709 -68.5278 -33.7994 -105.196 -33.7979 -187.391 GPRESSURE: 4958200 -339.395 -95.4383 -75.0918 58.9707 10.2782 0.0284342 -248.781 -35.6595 -118.115 PRESSAVG: 4958200 -47.8224 -17.4055 -13.6319 -17.4055 23.9841 -47.1129 -13.6319 -47.1129 -27.1878 GPRESSAVG: 4958200 -48.2727 -13.3868 -9.64169 -18.2714 24.652 -47.6229 -15.0529 -48.2852 -26.812 TIMING: 4958200 CPU: 14357.7, 0.00292862/step Wall: 14357.7, 0.00292862/step, 0.0340045 hours remaining, 213.062500 MB of memory in use. ENERGY: 4958200 782.3841 2114.2884 1970.8383 105.3116 -205907.2150 17577.0628 0.0000 0.0000 34217.8101 -149139.5197 298.8326 -183357.3298 -149044.4375 299.3497 -178.6832 -149.0772 558149.8979 -17.0087 -16.8109 PRESSURE: 4958400 -93.3651 -58.1045 -56.385 -58.1063 4.26093 -74.953 -56.3851 -74.9535 -243.247 GPRESSURE: 4958400 -58.6793 -92.5422 -26.1698 -152.796 13.2112 44.3338 30.8727 -94.0357 -191.66 PRESSAVG: 4958400 -12.8956 -5.43177 -6.00787 -5.43183 6.31477 -39.4116 -6.00786 -39.4116 13.9214 GPRESSAVG: 4958400 -12.6959 -6.82225 -6.94017 -4.34333 6.74617 -37.294 -5.74743 -39.0647 13.8638 TIMING: 4958400 CPU: 14358.3, 0.00291545/step Wall: 14358.3, 0.00291545/step, 0.0336897 hours remaining, 213.265625 MB of memory in use. ENERGY: 4958400 750.3336 2091.5363 1951.0550 112.3549 -206348.8092 17732.7336 0.0000 0.0000 34549.6688 -149161.1270 301.7309 -183710.7958 -149065.6052 300.1216 -110.7837 -79.0426 557340.2030 2.4469 2.6380 PRESSURE: 4958600 -11.5063 16.3599 105.108 16.3613 -386.341 77.2688 105.109 77.2706 -62.1607 GPRESSURE: 4958600 36.6726 129.455 36.8225 -62.2835 -352.191 77.6687 199.248 100.479 -38.1457 PRESSAVG: 4958600 33.9335 10.3466 29.292 10.3466 -42.8335 -21.7463 29.292 -21.7463 -0.198957 GPRESSAVG: 4958600 33.6609 7.93899 28.1633 11.7337 -42.1156 -23.3122 28.8437 -22.1079 -0.181367 TIMING: 4958600 CPU: 14358.9, 0.00288683/step Wall: 14358.9, 0.00288683/step, 0.0331986 hours remaining, 213.265625 MB of memory in use. ENERGY: 4958600 791.6872 2068.2379 1936.6556 112.5737 -206173.3464 17721.3784 0.0000 0.0000 34251.3665 -149291.4472 299.1257 -183542.8137 -149197.7933 299.3915 -153.3361 -117.8879 557215.9911 -3.0330 -2.8787 PRESSURE: 4958800 -193.549 35.4914 -60.4097 35.4926 -34.9329 -60.235 -60.4088 -60.2317 -22.1391 GPRESSURE: 4958800 -127.444 102.713 -36.8201 -13.3557 -36.5079 -60.6705 -39.7757 -70.0213 10.3501 PRESSAVG: 4958800 -7.98175 27.8493 -56.6889 27.8494 2.16607 -19.5147 -56.6889 -19.5146 73.0707 GPRESSAVG: 4958800 -6.67738 29.3958 -55.9685 27.7579 0.281289 -19.5226 -55.861 -18.1564 74.376 TIMING: 4958800 CPU: 14359.5, 0.00291558/step Wall: 14359.5, 0.00291558/step, 0.0333672 hours remaining, 213.265625 MB of memory in use. ENERGY: 4958800 749.8140 2109.7223 1949.7852 99.0039 -206068.1722 17633.0296 0.0000 0.0000 34162.7614 -149364.0557 298.3519 -183526.8171 -149272.7620 299.4182 -83.5403 -51.2006 557191.2038 22.4184 22.6600 PRESSURE: 4959000 -328.633 147.372 39.2353 147.371 91.6373 -30.8506 39.235 -30.8527 -207.633 GPRESSURE: 4959000 -295.996 130.442 61.8687 150.729 104.526 -103.18 65.3732 24.6253 -149.218 PRESSAVG: 4959000 2.49229 57.6956 -3.4288 57.6956 35.6582 43.335 -3.42876 43.335 -27.066 GPRESSAVG: 4959000 1.48191 56.7837 -4.89009 57.461 36.3117 42.499 -3.87081 42.5854 -26.3036 TIMING: 4959000 CPU: 14360.1, 0.00291475/step Wall: 14360.1, 0.00291475/step, 0.0331957 hours remaining, 213.265625 MB of memory in use. ENERGY: 4959000 759.8307 2165.1882 1926.1242 103.0072 -206058.9099 17618.6975 0.0000 0.0000 34147.1037 -149338.9584 298.2151 -183486.0621 -149243.6693 298.6205 -148.2097 -113.5625 556078.3137 3.6948 3.8300 PRESSURE: 4959200 -1.54671 -136.756 -22.906 -136.756 -64.852 220.914 -22.9066 220.915 150.175 GPRESSURE: 4959200 41.5021 -214.218 -71.8395 -151.582 -32.4592 228.797 -11.3811 265.465 156.356 PRESSAVG: 4959200 -31.071 29.4848 -41.0342 29.4848 23.0377 13.971 -41.0342 13.9711 28.284 GPRESSAVG: 4959200 -29.185 29.6095 -40.1565 29.3889 22.159 17.7341 -40.4042 15.0586 27.3271 TIMING: 4959200 CPU: 14360.7, 0.00292419/step Wall: 14360.7, 0.00292419/step, 0.0331408 hours remaining, 213.265625 MB of memory in use. ENERGY: 4959200 740.9128 2102.6546 1947.7387 114.1702 -206473.5794 17810.4227 0.0000 0.0000 34413.4004 -149344.2801 300.5408 -183757.6804 -149250.9596 298.4800 27.9253 55.1331 555828.9260 6.7502 6.7670 PRESSURE: 4959400 -31.4935 63.2623 -107.406 63.2632 46.9326 46.9188 -107.406 46.9196 150.246 GPRESSURE: 4959400 40.5626 93.8443 -123.595 80.8439 53.7542 -23.8299 -82.6945 18.548 174.38 PRESSAVG: 4959400 -23.375 14.4629 -52.2993 14.4628 -70.8667 42.5245 -52.2993 42.5245 100.487 GPRESSAVG: 4959400 -23.6942 14.0122 -51.1151 14.8172 -69.0999 39.9663 -54.1017 40.1047 98.9547 TIMING: 4959400 CPU: 14361.2, 0.00294131/step Wall: 14361.2, 0.00294131/step, 0.0331714 hours remaining, 213.265625 MB of memory in use. ENERGY: 4959400 720.6748 2097.0396 1942.0382 118.6330 -206211.3022 17747.9486 0.0000 0.0000 34280.3469 -149304.6213 299.3788 -183584.9681 -149211.1335 298.9125 55.2285 89.5657 556158.4895 2.0818 2.0535 PRESSURE: 4959600 -60.9587 33.3489 127.37 33.3504 70.1924 36.0939 127.371 36.094 -106.254 GPRESSURE: 4959600 -13.7569 50.628 195.511 2.64094 79.5502 -47.2217 19.0599 78.3591 -61.8233 PRESSAVG: 4959600 26.5983 30.338 -21.6453 30.3381 -10.1761 -7.46034 -21.6453 -7.46037 -21.2418 GPRESSAVG: 4959600 25.7287 31.2795 -21.9047 29.7576 -9.84289 -6.22691 -19.3389 -5.62624 -20.7911 TIMING: 4959600 CPU: 14361.8, 0.00291557/step Wall: 14361.8, 0.00291557/step, 0.0327192 hours remaining, 213.265625 MB of memory in use. ENERGY: 4959600 698.6410 2084.7885 1952.6280 119.0738 -206188.5060 17765.2709 0.0000 0.0000 34361.0643 -149207.0395 300.0837 -183568.1038 -149109.1572 299.3832 -32.3401 1.3233 557918.7055 -1.6066 -1.6351 PRESSURE: 4959800 -203.692 -81.3171 -18.5399 -81.3172 -29.0896 141.35 -18.5392 141.349 -139.762 GPRESSURE: 4959800 -159.844 -112.093 -31.9297 -84.3975 -24.6168 93.0667 -0.895749 208.591 -81.0905 PRESSAVG: 4959800 -43.5696 26.3195 2.95631 26.3195 -0.709491 40.3912 2.95624 40.3911 66.177 GPRESSAVG: 4959800 -43.0418 27.615 1.57989 25.8094 -0.936341 39.7592 3.86266 40.8169 65.8743 TIMING: 4959800 CPU: 14362.4, 0.00292779/step Wall: 14362.4, 0.00292779/step, 0.0326937 hours remaining, 213.265625 MB of memory in use. ENERGY: 4959800 733.7316 2086.6314 1960.2455 100.6568 -205897.8650 17590.4491 0.0000 0.0000 34135.3498 -149290.8009 298.1125 -183426.1507 -149197.8763 299.1400 -124.1811 -88.5172 558810.4324 7.2993 7.2987 PRESSURE: 4960000 -230.829 52.3781 2.92139 52.3786 271.424 -55.5036 2.92117 -55.5032 79.3073 GPRESSURE: 4960000 -172.872 6.57853 -17.1695 6.98894 264.185 -78.709 11.1566 27.1453 122.691 PRESSAVG: 4960000 -56.8023 0.567041 -4.46137 0.567088 43.7121 -33.1079 -4.46146 -33.108 4.09525 GPRESSAVG: 4960000 -57.6584 -2.97174 -3.47573 2.62634 42.6282 -35.4521 -6.06619 -32.8864 5.71888 TIMING: 4960000 CPU: 14363, 0.00293749/step Wall: 14363, 0.00293749/step, 0.0326388 hours remaining, 213.265625 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: 4960000 728.5730 2094.9437 1942.2767 116.5040 -206314.3760 17913.6239 0.0000 0.0000 34288.0020 -149230.4525 299.4456 -183518.4545 -149131.9977 298.5137 39.9676 71.3345 558222.9391 -2.9983 -3.1038 PRESSURE: 4960200 -90.5892 -338.777 6.366 -338.777 -210.635 -110.448 6.36637 -110.448 -181.911 GPRESSURE: 4960200 -59.0408 -299.596 39.3915 -448.478 -130.84 -122.927 -19.2217 -33.8901 -190.986 PRESSAVG: 4960200 -8.18638 -29.9392 38.5173 -29.9392 -39.9076 -30.7169 38.5174 -30.7169 22.5228 GPRESSAVG: 4960200 -7.69437 -26.192 39.4282 -31.9038 -38.1935 -28.508 38.297 -29.314 20.9701 TIMING: 4960200 CPU: 14363.6, 0.00292116/step Wall: 14363.6, 0.00292116/step, 0.032295 hours remaining, 213.265625 MB of memory in use. ENERGY: 4960200 728.5012 2079.8580 1942.9272 115.4047 -205810.4571 17547.2818 0.0000 0.0000 34264.1735 -149132.3107 299.2375 -183396.4842 -149035.8424 298.3137 -161.0449 -126.9555 557743.2102 -8.5238 -8.3059 LDB: ============= START OF LOAD BALANCING ============== 14367 LDB: ============== END OF LOAD BALANCING =============== 14367 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14367 LDB: ============= START OF LOAD BALANCING ============== 14367.3 LDB: Largest compute 4773 load 0.028560 is 24.2% of average load 0.118013 LDB: Average compute 0.001727 is 1.5% of average load 0.118013 LDB: TIME 14367.3 LOAD: AVG 0.118013 MAX 0.180851 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.535 MB LDB: TIME 14367.3 LOAD: AVG 0.118013 MAX 0.180851 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.535 MB LDB: TIME 14367.3 LOAD: AVG 0.118013 MAX 0.180851 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14367.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14367.3 PRESSURE: 4960400 210.83 84.0337 31.4388 84.032 183.713 47.659 31.4398 47.6597 32.0137 GPRESSURE: 4960400 278.734 108.141 -18.4642 90.3198 195.797 40.9596 -3.17279 89.9065 52.4931 PRESSAVG: 4960400 -8.26082 -1.50759 -10.1264 -1.50766 -21.6466 18.2288 -10.1264 18.2288 -6.57323 GPRESSAVG: 4960400 -8.54665 -2.38502 -9.84066 1.0052 -21.954 16.4977 -7.65529 18.2878 -6.18433 TIMING: 4960400 CPU: 14364.2, 0.00301294/step Wall: 14364.2, 0.00301294/step, 0.0331423 hours remaining, 212.082031 MB of memory in use. ENERGY: 4960400 712.9302 2098.2660 1930.2218 116.7524 -206262.1248 17992.9550 0.0000 0.0000 34327.9309 -149083.0686 299.7944 -183410.9995 -148987.0741 299.6749 142.1856 175.6749 557373.4490 -12.1602 -12.2283 PRESSURE: 4960600 165.37 121.527 97.3846 121.528 -213.787 -53.086 97.3846 -53.0859 126.591 GPRESSURE: 4960600 197.33 99.0411 98.6462 105.359 -166.029 -78.7481 34.9911 23.213 143.835 PRESSAVG: 4960600 83.6073 -3.50235 -16.2712 -3.5024 -10.6276 0.619359 -16.2713 0.619401 -72.3909 GPRESSAVG: 4960600 83.629 -3.13006 -15.2829 -4.71098 -11.9185 0.497244 -18.2015 -0.862542 -70.8508 TIMING: 4960600 CPU: 14364.8, 0.00289755/step Wall: 14364.8, 0.00289755/step, 0.0317121 hours remaining, 212.082031 MB of memory in use. ENERGY: 4960600 744.3139 2069.0022 1931.4274 110.1599 -205855.4112 17828.2562 0.0000 0.0000 34164.7275 -149007.5242 298.3691 -183172.2517 -148914.2755 299.4895 26.0583 58.3788 557871.4803 0.1963 0.2866 PRESSURE: 4960800 81.0142 95.9158 51.2162 95.915 114.873 49.8814 51.2159 49.883 -53.5536 GPRESSURE: 4960800 106.053 126.635 10.5175 115.669 123.706 69.9877 87.6087 50.2065 12.3005 PRESSAVG: 4960800 3.17939 7.82158 0.216481 7.82154 18.2959 -26.971 0.21654 -26.971 3.56479 GPRESSAVG: 4960800 3.44469 8.97391 -1.15017 5.39062 19.3961 -26.3668 -0.346514 -26.996 1.88421 TIMING: 4960800 CPU: 14365.3, 0.00291452/step Wall: 14365.3, 0.00291453/step, 0.0317359 hours remaining, 212.082031 MB of memory in use. ENERGY: 4960800 747.8137 2087.0447 1957.7184 102.2333 -206131.8159 17804.8927 0.0000 0.0000 34232.8526 -149199.2606 298.9640 -183432.1131 -149103.5814 299.6716 47.4446 80.6864 556895.5217 8.3467 8.2417 PRESSURE: 4961000 246.885 -49.6195 -196.064 -49.6194 74.4711 -73.536 -196.063 -73.5368 218.092 GPRESSURE: 4961000 274.992 -33.4898 -134.538 -60.2568 133.536 -170.54 -221.196 -68.6558 228.648 PRESSAVG: 4961000 -12.826 26.5365 -19.2199 26.5365 20.5458 17.4635 -19.2199 17.4635 -16.808 GPRESSAVG: 4961000 -12.4319 25.309 -20.325 26.9767 19.1567 18.2845 -16.9782 15.6134 -15.904 TIMING: 4961000 CPU: 14365.9, 0.00288503/step Wall: 14365.9, 0.00288503/step, 0.0312544 hours remaining, 212.082031 MB of memory in use. ENERGY: 4961000 743.1080 2112.7709 1946.1078 105.2518 -206367.6183 18028.2148 0.0000 0.0000 34170.6125 -149261.5525 298.4205 -183432.1650 -149166.7640 298.9813 179.8162 212.3920 556798.0342 -3.0294 -3.0597 PRESSURE: 4961200 -0.314638 213.776 -122.494 213.776 101.182 129.364 -122.494 129.364 -49.0016 GPRESSURE: 4961200 4.74543 274.71 -83.3951 140.528 148.701 100.304 -81.3588 107.988 -3.70924 PRESSAVG: 4961200 -6.26815 44.6951 -58.6169 44.6951 4.51305 -19.4446 -58.6169 -19.4447 -28.699 GPRESSAVG: 4961200 -6.82902 46.0477 -56.7459 44.1469 5.39722 -20.291 -61.777 -18.4384 -28.4668 TIMING: 4961200 CPU: 14366.5, 0.00289933/step Wall: 14366.5, 0.00289933/step, 0.0312483 hours remaining, 212.082031 MB of memory in use. ENERGY: 4961200 738.5287 2092.2003 1958.3315 118.7720 -206669.0962 17925.7348 0.0000 0.0000 34498.9282 -149336.6008 301.2877 -183835.5290 -149238.9310 299.2570 17.2887 49.9123 558906.5489 -10.1514 -9.9662 PRESSURE: 4961400 193.336 -19.6469 94.672 -19.647 3.83108 82.9875 94.6718 82.9866 42.9055 GPRESSURE: 4961400 163.455 20.5029 99.9542 -29.9157 60.9486 195.736 71.3307 -54.3872 109.853 PRESSAVG: 4961400 -4.52117 5.4887 -1.37972 5.48869 40.7091 10.0485 -1.37973 10.0486 -32.5169 GPRESSAVG: 4961400 -3.61445 5.26448 -2.83934 6.5061 39.3171 10.6914 -1.63037 10.1442 -31.8956 TIMING: 4961400 CPU: 14367.1, 0.00288788/step Wall: 14367.1, 0.00288788/step, 0.0309645 hours remaining, 212.082031 MB of memory in use. ENERGY: 4961400 755.9885 2056.6923 1926.0380 114.6007 -206339.5735 18003.8531 0.0000 0.0000 34299.0925 -149183.3083 299.5425 -183482.4008 -149081.7776 299.6802 80.0242 111.4188 557884.9430 1.2237 1.2690 PRESSURE: 4961600 -579.486 -51.6991 -23.0049 -51.6984 90.1585 68.3268 -23.004 68.3273 -30.5155 GPRESSURE: 4961600 -569.312 20.9575 33.5516 -83.9946 135.318 28.3014 -62.4616 61.7105 7.10235 PRESSAVG: 4961600 3.26449 -3.72112 38.4456 -3.72101 -12.2623 12.4267 38.4456 12.4268 27.5701 GPRESSAVG: 4961600 2.95527 -3.85196 37.4164 -3.73543 -11.5298 12.5819 41.4742 11.8421 27.197 TIMING: 4961600 CPU: 14367.7, 0.00289798/step Wall: 14367.7, 0.00289798/step, 0.0309118 hours remaining, 212.082031 MB of memory in use. ENERGY: 4961600 702.5783 2055.8571 1947.8249 112.5124 -205826.9662 17595.4822 0.0000 0.0000 34421.3893 -148991.3219 300.6106 -183412.7112 -148890.8313 300.2256 -173.2811 -142.2972 558429.7997 6.1908 6.2075 PRESSURE: 4961800 -123.813 2.64357 -42.1978 2.6433 80.1977 77.6893 -42.1974 77.6878 59.0151 GPRESSURE: 4961800 -79.9664 -91.0885 121.874 33.1252 121.14 67.6574 -88.6083 145.68 85.8376 PRESSAVG: 4961800 -24.3493 -12.6323 49.1024 -12.6323 42.8327 -5.3598 49.1024 -5.3599 18.9933 GPRESSAVG: 4961800 -25.261 -13.1723 52.4109 -12.0185 44.27 -5.00537 49.4043 -5.65314 18.5981 TIMING: 4961800 CPU: 14368.2, 0.00290064/step Wall: 14368.2, 0.00290064/step, 0.030779 hours remaining, 212.082031 MB of memory in use. ENERGY: 4961800 764.6997 2129.8412 1939.0658 112.8937 -206270.7239 18004.3521 0.0000 0.0000 34339.7753 -148980.0961 299.8978 -183319.8714 -148877.3350 300.1788 5.1334 42.3371 557291.8640 12.4922 12.5357 PRESSURE: 4962000 -122.152 170.795 68.0216 170.793 -120.745 -74.5988 68.0213 -74.6006 -37.9718 GPRESSURE: 4962000 -63.11 139.469 130.952 183.555 -102.527 54.0053 13.8277 -88.074 -1.43589 PRESSAVG: 4962000 -36.8538 11.6168 25.9452 11.6169 38.2103 27.3151 25.9452 27.3152 9.35424 GPRESSAVG: 4962000 -37.0758 10.8965 24.6577 13.1607 38.9191 27.0309 21.8843 29.201 9.1656 TIMING: 4962000 CPU: 14368.8, 0.00288938/step Wall: 14368.8, 0.00288938/step, 0.030499 hours remaining, 212.082031 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: 4962000 712.4950 2098.9149 1967.1199 115.2079 -205591.6072 17654.8170 0.0000 0.0000 34085.4289 -148957.6237 297.6765 -183043.0526 -148865.2673 300.0331 -93.6230 -55.6908 558099.9296 3.5702 3.6697 PRESSURE: 4962200 43.7668 25.9554 -111.76 25.9542 186.72 -194.207 -111.761 -194.206 -93.3211 GPRESSURE: 4962200 86.4669 65.5469 -75.6012 -34.8118 189.297 -273.938 -88.9381 -253.461 -36.3544 PRESSAVG: 4962200 -44.6426 8.01028 -17.951 8.01025 45.0772 -58.9097 -17.9511 -58.9096 41.3997 GPRESSAVG: 4962200 -43.8433 10.1042 -18.1581 6.47944 44.4496 -59.7612 -15.3051 -59.1022 41.0543 TIMING: 4962200 CPU: 14369.4, 0.00290066/step Wall: 14369.4, 0.00290066/step, 0.030457 hours remaining, 212.082031 MB of memory in use. ENERGY: 4962200 734.1799 2119.7369 1948.7179 104.9141 -206008.6366 17791.3240 0.0000 0.0000 34255.5285 -149054.2352 299.1621 -183309.7638 -148955.8208 300.1950 45.7218 79.8031 558015.4351 13.9447 13.8869 PRESSURE: 4962400 95.4766 -128.267 -24.1607 -128.267 -100.118 75.686 -24.1614 75.6871 -79.6791 GPRESSURE: 4962400 110.174 -71.7116 -77.8204 -161.287 -51.0025 83.4454 -0.231999 7.97456 -36.395 PRESSAVG: 4962400 35.2169 -49.4969 -43.5608 -49.4969 5.4533 -15.9444 -43.5607 -15.9444 -75.3921 GPRESSAVG: 4962400 34.097 -50.3599 -44.0105 -48.2403 5.21228 -15.4113 -43.4251 -16.0211 -74.1198 TIMING: 4962400 CPU: 14370, 0.00291252/step Wall: 14370, 0.00291252/step, 0.0304196 hours remaining, 212.082031 MB of memory in use. ENERGY: 4962400 775.2383 2086.2712 1933.6621 103.2767 -205975.0116 17707.6853 0.0000 0.0000 34260.7269 -149108.1512 299.2074 -183368.8781 -149017.5571 299.0950 -28.1069 7.5922 556809.7234 -11.5740 -11.6035 PRESSURE: 4962600 -13.7656 -8.31065 -28.3394 -8.31204 44.8107 226.732 -28.341 226.733 74.3906 GPRESSURE: 4962600 -2.55769 -56.7983 -49.1296 57.6122 65.9611 242.082 -47.0478 255.91 139.775 PRESSAVG: 4962600 30.7011 -18.8474 24.6742 -18.8474 -9.7608 21.7083 24.6741 21.7084 -4.46269 GPRESSAVG: 4962600 32.5498 -18.9533 23.7679 -17.9263 -10.3855 22.1285 24.8376 21.5026 -5.99588 TIMING: 4962600 CPU: 14370.6, 0.00290305/step Wall: 14370.6, 0.00290305/step, 0.0301595 hours remaining, 212.082031 MB of memory in use. ENERGY: 4962600 775.3770 2048.4162 1909.5273 112.1391 -206065.9638 17953.1069 0.0000 0.0000 34264.7501 -149002.6474 299.2426 -183267.3974 -148907.8848 299.0407 35.1452 67.7263 558709.5463 5.4925 5.3895 PRESSURE: 4962800 -76.0666 115.403 -10.3712 115.404 -16.2294 54.8659 -10.3712 54.8657 -75.4899 GPRESSURE: 4962800 -28.9202 182.142 21.9167 83.9491 17.176 96.3664 -78.2904 50.2315 -44.1779 PRESSAVG: 4962800 14.8945 46.3089 -12.392 46.3089 0.654908 31.4231 -12.3919 31.423 -17.9103 GPRESSAVG: 4962800 14.4201 45.7469 -11.5187 43.2004 0.183082 30.5409 -12.9682 30.7963 -17.0392 TIMING: 4962800 CPU: 14371.1, 0.00289216/step Wall: 14371.1, 0.00289216/step, 0.0298856 hours remaining, 212.082031 MB of memory in use. ENERGY: 4962800 744.3261 2066.7130 1923.6386 109.0350 -205733.2050 17640.5526 0.0000 0.0000 34124.3142 -149124.6254 298.0161 -183248.9396 -149026.6469 299.6866 -55.9286 -18.6407 558623.3472 -0.7869 -0.8120 PRESSURE: 4963000 167.03 -11.8049 73.6091 -11.805 -34.8842 42.3699 73.6106 42.3697 90.652 GPRESSURE: 4963000 232.723 -25.9645 51.9778 -4.24171 -17.3029 36.1819 73.2123 62.1125 116.768 PRESSAVG: 4963000 38.2875 5.52566 32.7699 5.52578 12.7935 14.1852 32.7699 14.1853 -4.63835 GPRESSAVG: 4963000 36.6261 5.65108 33.1188 6.89366 14.795 14.5218 31.4612 15.8733 -4.49132 TIMING: 4963000 CPU: 14371.7, 0.0028936/step Wall: 14371.7, 0.0028936/step, 0.0297397 hours remaining, 212.082031 MB of memory in use. ENERGY: 4963000 713.0157 2043.7478 1947.3067 110.8903 -206260.0895 17909.7418 0.0000 0.0000 34366.2772 -149169.1100 300.1292 -183535.3872 -149066.1919 298.9086 74.2660 110.7294 558416.8452 15.4809 15.6432 PRESSURE: 4963200 -178.958 2.30324 153.044 2.30088 -137.102 -151.148 153.043 -151.148 -250.741 GPRESSURE: 4963200 -137.478 -70.621 -4.04299 9.2514 -105.037 -182.536 191.625 -119.538 -227.89 PRESSAVG: 4963200 1.71378 46.7314 16.8904 46.7313 -48.6856 37.7168 16.8904 37.7168 39.4692 GPRESSAVG: 4963200 2.05789 45.8458 16.4336 44.981 -48.816 37.2669 18.047 35.7616 39.2596 TIMING: 4963200 CPU: 14372.3, 0.00287289/step Wall: 14372.3, 0.00287289/step, 0.0293673 hours remaining, 212.082031 MB of memory in use. ENERGY: 4963200 762.9411 2112.6971 1954.1775 116.4862 -205759.0807 17656.1684 0.0000 0.0000 34213.3207 -148943.2897 298.7934 -183156.6103 -148842.4162 298.9995 -188.9338 -156.8017 560970.3096 -2.5009 -2.4995 PRESSURE: 4963400 45.5805 -42.0417 132.469 -42.0422 -196.001 -120.375 132.469 -120.377 171.403 GPRESSURE: 4963400 48.4799 -51.4444 216.721 -14.9187 -126.746 -93.7972 25.8059 -121.472 208.984 PRESSAVG: 4963400 24.7164 13.4115 8.97556 13.4114 -13.1878 -44.1799 8.97571 -44.1798 -43.8028 GPRESSAVG: 4963400 25.0819 13.6092 8.19254 15.9059 -12.8135 -43.6126 8.34504 -42.1757 -44.3792 TIMING: 4963400 CPU: 14372.9, 0.00290324/step Wall: 14372.9, 0.00290324/step, 0.0295163 hours remaining, 212.082031 MB of memory in use. ENERGY: 4963400 734.9605 2114.5567 1967.7860 106.0156 -206216.3342 17869.0140 0.0000 0.0000 34365.8758 -149058.1256 300.1257 -183424.0014 -148962.4975 299.9234 6.9939 43.5728 557718.1150 -10.7581 -10.7036 PRESSURE: 4963600 -174.077 71.5132 -34.854 71.5147 -214.248 88.7065 -34.8536 88.7054 -364.494 GPRESSURE: 4963600 -116.141 167.154 46.0726 -12.5036 -222.078 108.197 -19.8719 101.708 -305.411 PRESSAVG: 4963600 39.6534 15.9855 0.00347307 15.9854 -47.118 8.38422 0.0034748 8.38416 -12.1924 GPRESSAVG: 4963600 39.9417 15.741 0.277938 14.1523 -47.8449 6.97978 -0.0799575 8.70307 -11.9207 TIMING: 4963600 CPU: 14373.5, 0.00287801/step Wall: 14373.5, 0.00287801/step, 0.0290999 hours remaining, 212.082031 MB of memory in use. ENERGY: 4963600 746.4996 2083.6812 1958.9824 131.3586 -205852.5482 17544.2293 0.0000 0.0000 34146.6583 -149241.1389 298.2113 -183387.7972 -149153.7305 299.7183 -250.9397 -214.5435 559225.6781 -6.5523 -6.6080 PRESSURE: 4963800 90.6168 -66.5076 74.9889 -66.5088 -53.2624 101.85 74.9883 101.851 -87.2167 GPRESSURE: 4963800 136.412 15.3551 36.7186 -178.332 -11.7246 191.97 17.3336 16.1851 -90.9987 PRESSAVG: 4963800 37.9762 25.4179 -30.4089 25.4178 -75.0333 -44.9389 -30.409 -44.9389 32.6684 GPRESSAVG: 4963800 38.2173 26.6457 -30.3572 23.5741 -74.3456 -44.5892 -29.4898 -46.5413 32.2724 TIMING: 4963800 CPU: 14374, 0.00290697/step Wall: 14374, 0.00290697/step, 0.0292312 hours remaining, 212.082031 MB of memory in use. ENERGY: 4963800 747.7853 2084.6046 1967.6895 115.4931 -206130.7986 17897.2271 0.0000 0.0000 34300.6211 -149017.3778 299.5559 -183317.9990 -148924.3303 299.3885 -16.6207 11.2297 559228.5974 -1.4629 -1.2853 PRESSURE: 4964000 -36.9169 7.1239 -34.3156 7.1236 -261.645 -97.749 -34.3164 -97.7487 -156.849 GPRESSURE: 4964000 -41.6034 6.84978 -46.4168 55.0404 -224.627 -24.0608 -7.55648 -33.3294 -92.6597 PRESSAVG: 4964000 97.6564 -1.55294 21.1905 -1.5529 5.53185 -21.2878 21.1903 -21.2878 -81.0643 GPRESSAVG: 4964000 96.5033 -3.57567 21.9408 1.61782 5.98763 -19.9786 22.5205 -21.3825 -79.7941 TIMING: 4964000 CPU: 14374.6, 0.00288475/step Wall: 14374.6, 0.00288475/step, 0.0288475 hours remaining, 212.082031 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: 4964000 776.1643 2072.3363 1929.7658 112.8996 -206040.6235 17772.8267 0.0000 0.0000 34362.7880 -149013.8427 300.0988 -183376.6308 -148915.1618 299.8980 -151.8037 -119.6301 559847.1734 7.3747 7.5656 PRESSURE: 4964200 150.197 36.4046 109.868 36.4066 140.62 50.9647 109.868 50.9647 -256.497 GPRESSURE: 4964200 176.242 -18.8385 129.772 67.1421 137.003 15.532 31.3271 88.4384 -184.418 PRESSAVG: 4964200 -6.18131 -32.5208 -58.3205 -32.5208 33.2704 -19.5508 -58.3206 -19.5508 -15.2118 GPRESSAVG: 4964200 -5.66837 -31.4692 -59.1856 -32.9553 32.9696 -20.7317 -59.8926 -19.3412 -15.1459 TIMING: 4964200 CPU: 14375.2, 0.00286699/step Wall: 14375.2, 0.00286699/step, 0.0285106 hours remaining, 212.082031 MB of memory in use. ENERGY: 4964200 758.2045 2037.5886 1975.8818 118.4485 -206064.4152 17774.2860 0.0000 0.0000 34384.7090 -149015.2968 300.2902 -183400.0058 -148917.4843 299.8476 11.4403 42.9424 557410.6050 3.9591 4.0518 LDB: ============= START OF LOAD BALANCING ============== 14378.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14378.6 LDB: =============== DONE WITH MIGRATION ================ 14378.6 LDB: ============= START OF LOAD BALANCING ============== 14378.9 LDB: Largest compute 4773 load 0.027941 is 23.7% of average load 0.118026 LDB: Average compute 0.001735 is 1.5% of average load 0.118026 LDB: TIME 14378.9 LOAD: AVG 0.118026 MAX 0.178615 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.793 MB LDB: TIME 14378.9 LOAD: AVG 0.118026 MAX 0.178615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.855 MB LDB: TIME 14378.9 LOAD: AVG 0.118026 MAX 0.178615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14378.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14378.9 PRESSURE: 4964400 -67.4277 -132.295 107.948 -132.295 -139.841 -16.3466 107.948 -16.345 54.866 GPRESSURE: 4964400 -19.0158 -83.8301 116.701 -229.739 -133.422 -40.7237 40.2844 -49.6462 112.125 PRESSAVG: 4964400 -39.9104 -45.3357 -14.5444 -45.3357 -40.9257 10.8714 -14.5444 10.8714 55.5682 GPRESSAVG: 4964400 -39.6883 -45.9195 -12.2593 -46.1537 -40.869 10.9756 -16.0227 9.88442 55.4254 TIMING: 4964400 CPU: 14375.8, 0.00293117/step Wall: 14375.8, 0.00293117/step, 0.028986 hours remaining, 212.722656 MB of memory in use. ENERGY: 4964400 717.6448 2078.4155 1971.0200 115.4851 -206129.7554 17862.7487 0.0000 0.0000 34262.0223 -149122.4191 299.2188 -183384.4413 -149023.5342 299.4943 -50.8010 -13.4376 557791.2407 -8.4226 -8.3773 PRESSURE: 4964600 -331.916 -33.1078 53.8757 -33.1088 18.6524 -17.6545 53.8764 -17.6555 19.3075 GPRESSURE: 4964600 -309.268 1.71936 32.1792 -76.4247 78.2232 5.16038 78.9159 -27.7372 29.3331 PRESSAVG: 4964600 -6.72259 -5.72049 18.3031 -5.7205 -27.9318 -19.7368 18.3031 -19.7368 49.7998 GPRESSAVG: 4964600 -4.95304 -5.88762 16.844 -5.83888 -28.7029 -19.1819 19.7728 -19.1327 48.9004 TIMING: 4964600 CPU: 14376.3, 0.0028975/step Wall: 14376.3, 0.0028975/step, 0.0284921 hours remaining, 213.046875 MB of memory in use. ENERGY: 4964600 727.8456 2043.5277 1953.0648 103.9552 -205627.4091 17520.0710 0.0000 0.0000 34212.8692 -149066.0756 298.7895 -183278.9448 -148972.7346 299.1315 -97.9853 -67.2372 559038.6389 5.0485 5.0815 PRESSURE: 4964800 -67.2642 61.5888 20.9054 61.589 -264.213 -40.7246 20.9043 -40.7232 -126.205 GPRESSURE: 4964800 -44.6379 139.569 6.62783 -25.9736 -168.438 -25.7879 22.8534 -81.9054 -150.074 PRESSAVG: 4964800 -6.57272 -3.45738 -50.8901 -3.45736 -8.04083 -8.94406 -50.8901 -8.94414 -25.0251 GPRESSAVG: 4964800 -7.50996 -2.97186 -48.5689 -1.47623 -7.42987 -9.20237 -52.0935 -6.81615 -24.5677 TIMING: 4964800 CPU: 14376.9, 0.00291136/step Wall: 14376.9, 0.00291136/step, 0.0284666 hours remaining, 213.046875 MB of memory in use. ENERGY: 4964800 777.5351 2088.8243 1967.4299 113.7803 -206218.4928 17681.1658 0.0000 0.0000 34325.2103 -149264.5469 299.7706 -183589.7573 -149165.2882 298.8327 -152.5607 -121.0501 558010.6448 -13.2129 -13.1692 PRESSURE: 4965000 -16.1766 179.654 -46.224 179.654 -94.2239 -24.0298 -46.2235 -24.0307 -201.133 GPRESSURE: 4965000 4.06593 202.589 1.02554 134.78 -52.7435 -29.4105 -36.0534 -67.3543 -151.976 PRESSAVG: 4965000 -19.7485 29.0028 8.35266 29.0027 -63.5681 11.4775 8.35273 11.4775 62.4226 GPRESSAVG: 4965000 -19.0891 29.2781 5.96728 27.9736 -62.7341 9.89616 10.7037 9.0184 61.2034 TIMING: 4965000 CPU: 14377.5, 0.00291191/step Wall: 14377.5, 0.00291191/step, 0.0283102 hours remaining, 213.046875 MB of memory in use. ENERGY: 4965000 743.2478 2077.7852 1973.9903 110.2717 -205959.1329 17756.7111 0.0000 0.0000 34245.4430 -149051.6838 299.0740 -183297.1269 -148955.6959 299.4478 -103.8446 -66.8845 557548.2916 -6.9647 -6.8733 PRESSURE: 4965200 -233.419 -122.437 -57.6213 -122.437 -164.137 -184.184 -57.6213 -184.183 90.9169 GPRESSURE: 4965200 -266.295 -88.8122 -18.5519 -134.727 -117.186 -116.035 -153.421 -208.535 161.714 PRESSAVG: 4965200 -33.2979 38.2433 1.97973 38.2433 27.6168 -1.30711 1.9797 -1.30694 48.8854 GPRESSAVG: 4965200 -34.2297 37.2501 4.20275 36.8912 26.5203 -1.30726 -0.624262 0.775455 50.6783 TIMING: 4965200 CPU: 14378.1, 0.00289103/step Wall: 14378.1, 0.00289103/step, 0.0279466 hours remaining, 213.046875 MB of memory in use. ENERGY: 4965200 767.4821 2101.5582 1951.6123 119.6181 -205804.9576 17588.8150 0.0000 0.0000 34402.2254 -148873.6465 300.4432 -183275.8718 -148776.0479 300.0656 -102.2130 -73.9222 557002.4455 14.4014 14.3230 PRESSURE: 4965400 32.9841 -50.6882 -62.3732 -50.6875 89.5958 -77.1696 -62.3741 -77.1716 -83.5964 GPRESSURE: 4965400 99.9349 -59.7949 -0.17171 -100.258 71.3855 -62.1418 -115.207 -104.096 -43.5464 PRESSAVG: 4965400 -79.7357 -41.7669 -4.48728 -41.7669 6.66145 25.8509 -4.48719 25.851 80.3303 GPRESSAVG: 4965400 -79.7303 -40.0958 -5.35851 -41.1147 7.79639 26.3793 -4.99788 25.0854 79.6626 TIMING: 4965400 CPU: 14378.7, 0.00291372/step Wall: 14378.7, 0.00291372/step, 0.0280041 hours remaining, 213.046875 MB of memory in use. ENERGY: 4965400 758.3892 2067.8639 1957.4864 118.6794 -205971.6820 17697.2062 0.0000 0.0000 34423.1486 -148948.9083 300.6259 -183372.0569 -148851.7569 300.0293 12.9945 42.5913 556247.4159 2.4187 2.5762 PRESSURE: 4965600 -394.056 -73.2794 10.591 -73.2792 34.2763 60.7234 10.5913 60.7226 -63.2791 GPRESSURE: 4965600 -300.83 -114.802 62.7345 -19.5598 35.4155 27.9586 50.8455 81.9227 -56.3623 PRESSAVG: 4965600 -57.0075 -36.1429 -15.1958 -36.1428 -17.6553 38.0357 -15.1958 38.0356 67.0533 GPRESSAVG: 4965600 -56.0849 -35.9426 -16.1975 -36.4518 -17.0089 38.1005 -13.1045 36.8599 66.0196 TIMING: 4965600 CPU: 14379.3, 0.00294738/step Wall: 14379.3, 0.00294738/step, 0.0281639 hours remaining, 213.046875 MB of memory in use. ENERGY: 4965600 752.7261 2063.2383 1940.4722 106.5618 -205812.7632 17681.9744 0.0000 0.0000 34340.0411 -148927.7493 299.9001 -183267.7904 -148833.7824 299.9699 -141.0196 -107.2591 559438.8119 -2.5365 -2.3581 PRESSURE: 4965800 -118.042 -84.9068 -142.637 -84.9073 91.1361 -71.4795 -142.637 -71.4795 -158.915 GPRESSURE: 4965800 -67.6372 -60.2514 -96.2982 -118.196 71.0748 -74.617 -112.329 -84.0361 -88.5899 PRESSAVG: 4965800 -19.4917 -13.2103 -3.35013 -13.2102 62.9836 41.4737 -3.35018 41.4737 -10.598 GPRESSAVG: 4965800 -19.9672 -12.8874 -3.3733 -11.9248 62.4865 42.1994 -3.76336 42.1532 -9.70963 TIMING: 4965800 CPU: 14379.8, 0.00292561/step Wall: 14379.8, 0.00292561/step, 0.0277933 hours remaining, 213.046875 MB of memory in use. ENERGY: 4965800 710.6393 2033.7470 1985.0012 104.9619 -205401.4273 17388.7998 0.0000 0.0000 34285.2737 -148893.0043 299.4218 -183178.2780 -148791.4993 300.5397 -61.9403 -28.3841 558568.3114 10.9646 10.9365 PRESSURE: 4966000 -160.599 169.446 51.5847 169.444 106.682 233.053 51.5858 233.052 -215.598 GPRESSURE: 4966000 -136.664 133.797 38.9913 223.606 143.116 250.665 62.4696 155.605 -173.505 PRESSAVG: 4966000 73.4934 27.1079 -19.4787 27.108 29.6306 10.4179 -19.4787 10.418 -93.7411 GPRESSAVG: 4966000 74.2043 25.9671 -19.287 27.2721 29.457 7.62354 -19.2408 12.3181 -94.4019 TIMING: 4966000 CPU: 14380.4, 0.00290269/step Wall: 14380.4, 0.00290269/step, 0.0274143 hours remaining, 213.046875 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: 4966000 740.0584 2082.7797 1931.1649 117.6267 -205958.4025 17751.9019 0.0000 0.0000 34306.4753 -149028.3958 299.6070 -183334.8710 -148928.4076 300.1873 -89.8386 -55.6843 557150.6857 3.1277 3.0865 PRESSURE: 4966200 -207.76 89.2325 -7.50693 89.2315 -201.787 121.359 -7.50643 121.36 62.5048 GPRESSURE: 4966200 -158.344 61.7473 17.1854 93.9415 -211.363 94.9599 52.1234 115.906 125.777 PRESSAVG: 4966200 -18.9381 43.0338 -42.1102 43.0339 59.1133 16.4263 -42.1102 16.4262 8.98566 GPRESSAVG: 4966200 -19.4651 43.357 -40.6039 42.2694 58.4186 19.1039 -41.3181 13.7629 10.6439 TIMING: 4966200 CPU: 14381, 0.00291485/step Wall: 14381, 0.00291485/step, 0.0273672 hours remaining, 213.046875 MB of memory in use. ENERGY: 4966200 770.2936 2050.4661 1946.8372 111.3068 -205792.7880 17574.1108 0.0000 0.0000 34442.0426 -148897.7309 300.7909 -183339.7736 -148801.9069 299.6884 -115.6806 -81.3100 557394.1218 16.3869 16.5325 PRESSURE: 4966400 127.902 -225.95 101.871 -225.951 351.075 -77.1018 101.871 -77.1002 142.024 GPRESSURE: 4966400 181.302 -149.38 78.1557 -250.107 339.177 13.45 100.881 0.905495 187.124 PRESSAVG: 4966400 -44.457 17.9925 -3.81228 17.9925 -26.0025 -9.49812 -3.81225 -9.49812 67.6428 GPRESSAVG: 4966400 -44.4784 19.4783 -4.81334 16.9829 -26.9479 -9.33177 -3.15683 -9.20227 68.1085 TIMING: 4966400 CPU: 14381.6, 0.00289956/step Wall: 14381.6, 0.00289956/step, 0.0270625 hours remaining, 213.046875 MB of memory in use. ENERGY: 4966400 732.0415 2059.0245 1928.2284 118.1181 -206134.2935 18041.6371 0.0000 0.0000 34267.7232 -148987.5208 299.2685 -183255.2439 -148896.7462 299.8072 207.0006 235.8679 555813.5735 -0.9389 -1.1059 PRESSURE: 4966600 -150.095 -13.8189 32.2681 -13.8197 106.205 -310.632 32.2684 -310.632 328.017 GPRESSURE: 4966600 -145.962 -45.9176 62.8824 -53.4127 139.876 -252.171 9.82408 -324.193 385.516 PRESSAVG: 4966600 -17.7101 -0.634457 -20.138 -0.634387 10.7046 -10.4338 -20.1381 -10.4339 9.13887 GPRESSAVG: 4966600 -17.0483 -2.8808 -19.4106 0.997102 11.4332 -12.9161 -23.0885 -10.265 8.35757 TIMING: 4966600 CPU: 14382.2, 0.00291578/step Wall: 14382.2, 0.00291578/step, 0.027052 hours remaining, 213.046875 MB of memory in use. ENERGY: 4966600 732.3913 2059.4073 1960.3678 104.5621 -206217.5870 17987.7022 0.0000 0.0000 34315.9760 -149057.1803 299.6900 -183373.1563 -148970.5055 299.5617 94.7092 126.4764 557833.6196 0.7111 0.9141 PRESSURE: 4966800 88.1958 105.678 104.643 105.678 204.128 254.215 104.644 254.216 -80.5956 GPRESSURE: 4966800 177.494 164.927 105.423 65.7724 186.991 330.8 170.06 196.899 -68.7092 PRESSAVG: 4966800 -77.3316 -50.1304 56.7189 -50.1304 -15.7274 -5.16994 56.7189 -5.17004 100.204 GPRESSAVG: 4966800 -76.718 -49.382 56.7007 -51.098 -15.8195 -4.5612 56.795 -3.71487 99.4925 TIMING: 4966800 CPU: 14382.8, 0.00290143/step Wall: 14382.8, 0.00290143/step, 0.0267577 hours remaining, 213.046875 MB of memory in use. ENERGY: 4966800 720.0282 2066.0616 1946.6908 113.8232 -206743.5796 18139.6309 0.0000 0.0000 34653.3762 -149103.9687 302.6366 -183757.3449 -149002.9639 300.0535 70.5761 98.5921 556313.5984 2.3815 2.3183 PRESSURE: 4967000 22.2686 -101.801 22.2531 -101.802 150.392 -40.3556 22.2533 -40.3559 -37.2824 GPRESSURE: 4967000 66.2572 -48.247 12.4353 -102.555 193.48 -54.8163 37.5084 47.2685 -20.0364 PRESSAVG: 4967000 10.2092 7.76525 17.4106 7.76525 -24.2366 -24.0829 17.4105 -24.0828 64.5643 GPRESSAVG: 4967000 11.0516 8.69217 15.9213 7.6924 -24.1994 -24.3333 19.0794 -23.1093 63.8392 TIMING: 4967000 CPU: 14383.3, 0.00292659/step Wall: 14383.3, 0.00292659/step, 0.0268271 hours remaining, 213.046875 MB of memory in use. ENERGY: 4967000 747.1128 2091.1991 1935.5909 117.3831 -206111.3470 17808.9773 0.0000 0.0000 34396.0465 -149015.0373 300.3892 -183411.0838 -148914.5688 300.2569 45.1261 79.9001 555474.5717 16.8457 16.8971 PRESSURE: 4967200 -82.0273 2.56382 -4.5665 2.56456 -61.2005 32.7749 -4.56717 32.7746 239.533 GPRESSURE: 4967200 -72.1195 -79.2925 29.4228 -16.5262 18.8061 88.3259 20.3371 6.71672 232.53 PRESSAVG: 4967200 -23.9485 -90.1453 15.9055 -90.1453 -0.586933 11.9373 15.9054 11.9374 15.4732 GPRESSAVG: 4967200 -25.7453 -89.0141 15.7195 -90.5226 -0.469316 12.1198 14.1486 9.5716 17.0169 TIMING: 4967200 CPU: 14383.9, 0.00290796/step Wall: 14383.9, 0.00290796/step, 0.0264947 hours remaining, 213.046875 MB of memory in use. ENERGY: 4967200 756.8975 2059.6416 1955.0322 127.0162 -205764.3124 17691.2162 0.0000 0.0000 34387.4149 -148787.0938 300.3138 -183174.5088 -148688.8351 300.2730 32.1016 59.7388 556674.2057 -3.0207 -3.0659 PRESSURE: 4967400 159.919 -53.0465 -34.462 -53.0463 -131.802 119.019 -34.4623 119.019 119.734 GPRESSURE: 4967400 201.103 -72.5196 -81.5532 -27.3123 -87.8048 72.3466 -51.322 155.036 122.106 PRESSAVG: 4967400 4.97528 -16.733 45.5352 -16.733 -42.2628 35.4068 45.5353 35.4067 56.5987 GPRESSAVG: 4967400 4.79749 -18.2323 45.0447 -16.9965 -42.4717 33.837 45.2386 37.204 56.8429 TIMING: 4967400 CPU: 14384.5, 0.00291612/step Wall: 14384.5, 0.00291612/step, 0.0264071 hours remaining, 213.046875 MB of memory in use. ENERGY: 4967400 745.0818 2111.3801 1958.1796 118.1293 -206134.6783 17753.4353 0.0000 0.0000 34390.0053 -149058.4668 300.3365 -183448.4721 -148959.7731 300.0650 49.2836 78.4678 556367.8979 6.4371 6.3896 PRESSURE: 4967600 219.802 24.9035 -46.9353 24.9039 -169.858 130.196 -46.9362 130.196 -179.608 GPRESSURE: 4967600 282.975 32.3233 -31.6351 96.4759 -173.269 97.8959 -40.385 75.8026 -149.901 PRESSAVG: 4967600 15.6993 6.31793 -29.4909 6.31786 28.2008 3.24578 -29.4908 3.24561 -61.5991 GPRESSAVG: 4967600 16.1894 6.70736 -27.4914 6.81985 28.3627 4.77864 -28.416 1.4896 -62.2614 TIMING: 4967600 CPU: 14385.1, 0.00290971/step Wall: 14385.1, 0.00290971/step, 0.0261874 hours remaining, 213.046875 MB of memory in use. ENERGY: 4967600 748.2500 2104.4476 1971.2487 114.3300 -206286.7275 17682.9785 0.0000 0.0000 34387.1170 -149278.3557 300.3112 -183665.4727 -149180.9981 299.7382 -43.2212 -13.3985 557085.8179 -5.8997 -5.9031 PRESSURE: 4967800 -40.3541 -71.5922 148.858 -71.5936 -25.0554 21.4772 148.858 21.4779 -293.673 GPRESSURE: 4967800 38.514 -78.0828 153.373 -51.0183 38.6797 18.9902 117.117 -9.9644 -358.283 PRESSAVG: 4967800 45.4963 1.65192 14.4213 1.65188 -32.2107 8.30712 14.4212 8.30708 -33.2398 GPRESSAVG: 4967800 45.7879 3.41305 12.7462 2.56784 -32.377 9.3228 13.5452 7.63343 -33.3976 TIMING: 4967800 CPU: 14385.7, 0.0029237/step Wall: 14385.7, 0.0029237/step, 0.0261509 hours remaining, 213.046875 MB of memory in use. ENERGY: 4967800 744.6832 2133.4898 1981.7196 108.9651 -206494.5511 17922.9457 0.0000 0.0000 34348.0847 -149254.6630 299.9704 -183602.7477 -149162.8082 298.7347 -119.6942 -93.6964 557748.4802 -6.6514 -6.6622 PRESSURE: 4968000 -53.0517 5.23248 35.3725 5.23222 -52.9384 -150.732 35.3727 -150.731 -30.7001 GPRESSURE: 4968000 8.02852 29.5735 61.4385 -8.39833 -37.9153 -176.884 132.431 -89.9663 -10.2762 PRESSAVG: 4968000 29.1651 -24.8595 32.6626 -24.8596 47.932 6.46532 32.6626 6.4654 -75.33 GPRESSAVG: 4968000 28.8531 -28.7659 31.6389 -25.9168 48.276 5.8824 33.4376 8.56039 -75.4555 TIMING: 4968000 CPU: 14386.3, 0.00292657/step Wall: 14386.3, 0.00292657/step, 0.0260139 hours remaining, 213.046875 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: 4968000 749.1598 2119.4267 1964.7437 98.6309 -206136.9021 17723.7905 0.0000 0.0000 34344.0023 -149137.1481 299.9347 -183481.1504 -149038.3026 299.4897 -45.5634 -13.3877 557609.5353 0.5890 0.5579 PRESSURE: 4968200 58.3556 -46.0439 33.1834 -46.0442 -9.49203 -11.3142 33.1818 -11.314 60.4999 GPRESSURE: 4968200 137.491 -92.4108 34.6903 70.8127 27.4861 -79.3968 42.4107 27.0222 33.1766 PRESSAVG: 4968200 31.1589 28.5425 -16.452 28.5425 -21.0215 65.1045 -16.452 65.1046 18.3694 GPRESSAVG: 4968200 31.5072 31.4859 -15.8403 26.0245 -22.496 64.8486 -17.3973 64.8025 19.7225 TIMING: 4968200 CPU: 14386.8, 0.00294836/step Wall: 14386.8, 0.00294836/step, 0.0260438 hours remaining, 213.046875 MB of memory in use. ENERGY: 4968200 733.3707 2122.3148 1952.7047 125.9266 -206315.7888 17888.5268 0.0000 0.0000 34166.4647 -149326.4806 298.3842 -183492.9453 -149229.9150 299.7014 36.4545 66.0514 557937.5435 9.5023 9.5779 LDB: ============= START OF LOAD BALANCING ============== 14390.2 LDB: ============== END OF LOAD BALANCING =============== 14390.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14390.2 LDB: ============= START OF LOAD BALANCING ============== 14390.5 LDB: Largest compute 4773 load 0.029612 is 25.1% of average load 0.117972 LDB: Average compute 0.001739 is 1.5% of average load 0.117972 LDB: TIME 14390.5 LOAD: AVG 0.117972 MAX 0.178177 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.75 MB LDB: TIME 14390.5 LOAD: AVG 0.117972 MAX 0.178177 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.758 MB LDB: TIME 14390.5 LOAD: AVG 0.117972 MAX 0.178177 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14390.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14390.5 PRESSURE: 4968400 -19.8706 -88.0354 121.68 -88.036 182.996 47.4209 121.681 47.4218 -87.7369 GPRESSURE: 4968400 47.8233 -2.12686 118.83 -129.361 136.681 -47.4167 103.304 24.6119 5.19823 PRESSAVG: 4968400 -4.34843 12.9467 25.6937 12.9467 7.35811 31.3313 25.6937 31.3313 -37.7958 GPRESSAVG: 4968400 -5.63185 14.8469 28.6783 15.8759 8.71302 30.4468 26.3968 29.3042 -37.1384 TIMING: 4968400 CPU: 14387.4, 0.00297118/step Wall: 14387.4, 0.00297118/step, 0.0260804 hours remaining, 211.507812 MB of memory in use. ENERGY: 4968400 773.2068 2083.9363 1983.2708 123.3191 -206222.0825 17782.0877 0.0000 0.0000 34163.6573 -149312.6045 298.3597 -183476.2619 -149222.6052 299.1227 25.1296 63.2342 556656.4060 -11.5954 -11.3524 PRESSURE: 4968600 114.33 128.331 -126.641 128.331 198.022 62.8917 -126.642 62.8902 112.394 GPRESSURE: 4968600 161.547 88.5318 -112.31 89.2501 210.657 52.6364 -42.9179 100.269 141.745 PRESSAVG: 4968600 12.6932 -61.7414 -4.48555 -61.7415 -9.08157 -11.9237 -4.48558 -11.9237 34.6853 GPRESSAVG: 4968600 13.7462 -63.2619 -8.48442 -62.6996 -9.58068 -11.1408 -1.87996 -9.91768 34.048 TIMING: 4968600 CPU: 14388, 0.00294711/step Wall: 14388, 0.00294711/step, 0.0257053 hours remaining, 211.507812 MB of memory in use. ENERGY: 4968600 752.0702 2119.3667 1985.3823 107.1562 -206706.9962 18068.5697 0.0000 0.0000 34379.7140 -149294.7370 300.2466 -183674.4511 -149193.4087 299.3984 141.5820 171.3166 556355.5501 12.7656 12.7378 PRESSURE: 4968800 -8.7167 174.704 -47.5896 174.704 247.714 -19.7403 -47.5901 -19.7411 272.401 GPRESSURE: 4968800 8.5827 94.4593 -152.603 108.494 247.07 -8.97316 -23.902 -42.2946 335.478 PRESSAVG: 4968800 -66.7473 -4.96094 -57.0192 -4.96097 30.9178 -0.402022 -57.0192 -0.40205 58.8576 GPRESSAVG: 4968800 -65.6985 -6.67785 -57.1434 -2.76514 30.6512 -1.46429 -57.4322 -1.16607 58.8811 TIMING: 4968800 CPU: 14388.6, 0.00289093/step Wall: 14388.6, 0.00289093/step, 0.0250547 hours remaining, 211.507812 MB of memory in use. ENERGY: 4968800 742.7515 2161.6433 1983.9851 116.3577 -206592.1757 17966.3316 0.0000 0.0000 34339.5350 -149281.5715 299.8957 -183621.1065 -149177.7520 298.8853 170.4661 197.0436 556168.3604 7.6760 7.9446 PRESSURE: 4969000 108.692 -190.928 64.7432 -190.929 255.957 -38.468 64.7436 -38.4679 313.488 GPRESSURE: 4969000 169.036 -212.278 -8.90033 -192.798 314.019 -47.5699 75.8964 11.1153 304.527 PRESSAVG: 4969000 -39.1409 4.95957 -86.0803 4.95962 23.3502 2.76535 -86.0803 2.76531 22.9576 GPRESSAVG: 4969000 -39.0004 4.62049 -84.1758 3.10772 23.1989 0.97953 -87.317 4.61024 22.7048 TIMING: 4969000 CPU: 14389.2, 0.00288997/step Wall: 14389.2, 0.00288997/step, 0.0248858 hours remaining, 211.507812 MB of memory in use. ENERGY: 4969000 785.9522 2095.1313 1945.7993 120.6031 -206451.5819 18120.9842 0.0000 0.0000 34025.3317 -149357.7799 297.1517 -183383.1117 -149271.1550 299.1482 226.0454 262.5274 555975.7829 2.3890 2.3011 PRESSURE: 4969200 -98.4467 -215.182 -106.793 -215.181 -7.01648 -20.2164 -106.793 -20.2169 -228.72 GPRESSURE: 4969200 -30.9058 -227.003 -110.482 -179.832 -10.8451 -12.4249 -121.342 -10.9768 -178.553 PRESSAVG: 4969200 -0.929233 -70.1807 -49.6408 -70.1807 -37.3737 -21.3989 -49.6409 -21.399 52.3337 GPRESSAVG: 4969200 -0.643976 -68.0478 -50.8344 -71.0414 -36.0214 -19.4987 -50.4468 -21.5873 51.1763 TIMING: 4969200 CPU: 14389.8, 0.0029008/step Wall: 14389.8, 0.0029008/step, 0.024818 hours remaining, 211.507812 MB of memory in use. ENERGY: 4969200 750.7439 2075.2019 1930.4027 125.3173 -206210.3870 17715.0776 0.0000 0.0000 34119.7484 -149493.8952 297.9762 -183613.6435 -149390.0316 298.7849 -111.3944 -73.4346 556959.6223 4.6769 4.8370 PRESSURE: 4969400 -80.8666 -103.944 94.9524 -103.944 95.5049 71.6068 94.9515 71.6058 -53.4984 GPRESSURE: 4969400 -12.4428 -105.428 19.8215 -104.548 133.269 66.6007 144.124 152.75 -62.9095 PRESSAVG: 4969400 -26.3982 -25.4371 -3.66039 -25.4371 3.79298 -48.4115 -3.66041 -48.4115 26.7377 GPRESSAVG: 4969400 -26.0833 -26.3148 -1.69119 -25.3319 3.85326 -48.1072 -4.65702 -50.9112 26.1213 TIMING: 4969400 CPU: 14390.3, 0.00290029/step Wall: 14390.3, 0.00290029/step, 0.0246525 hours remaining, 211.507812 MB of memory in use. ENERGY: 4969400 784.3866 2101.4888 1964.5362 113.7588 -206604.8256 18035.6022 0.0000 0.0000 34113.1048 -149491.9482 297.9182 -183605.0530 -149396.9431 298.5456 -12.9534 19.3055 556430.5527 1.3775 1.2971 PRESSURE: 4969600 -39.176 170.921 -96.4032 170.92 -72.6875 -26.7161 -96.4017 -26.718 168.457 GPRESSURE: 4969600 5.72357 139.743 -3.35374 135.919 -41.7668 2.87242 -121.223 37.9498 188.095 PRESSAVG: 4969600 1.46058 9.08605 -45.1765 9.08603 -0.448959 -76.4695 -45.1764 -76.4695 41.7132 GPRESSAVG: 4969600 0.578186 9.78805 -45.3318 8.51273 -0.443144 -74.3069 -44.3388 -76.2767 43.0491 TIMING: 4969600 CPU: 14390.9, 0.00291274/step Wall: 14390.9, 0.00291274/step, 0.0245964 hours remaining, 211.507812 MB of memory in use. ENERGY: 4969600 774.8522 2086.5931 1947.6349 105.5650 -206776.0749 18110.7069 0.0000 0.0000 34243.4508 -149507.2720 299.0566 -183750.7228 -149414.7516 298.3162 18.8645 50.6838 558066.3164 14.2416 14.3947 PRESSURE: 4969800 -324.28 31.411 15.4551 31.4111 -76.2062 5.66502 15.455 5.66447 -64.8232 GPRESSURE: 4969800 -266.906 44.7924 -93.3538 31.7651 -71.6748 41.675 28.4965 -29.7198 -36.5907 PRESSAVG: 4969800 -33.4312 -6.28091 -6.41068 -6.28094 19.4309 -62.958 -6.41062 -62.958 21.9683 GPRESSAVG: 4969800 -32.3826 -7.86457 -5.80107 -5.29995 18.3935 -67.0512 -7.98323 -59.7494 22.2133 TIMING: 4969800 CPU: 14391.5, 0.00289216/step Wall: 14391.5, 0.00289216/step, 0.024262 hours remaining, 211.507812 MB of memory in use. ENERGY: 4969800 758.0421 2129.8021 1935.5027 126.3250 -206251.2842 17641.5418 0.0000 0.0000 34098.8331 -149561.2373 297.7936 -183660.0705 -149465.4071 298.0133 -155.1031 -125.0572 557989.4365 2.6560 2.7414 PRESSURE: 4970000 -47.8539 -199.824 19.3398 -199.825 -174.759 -175.84 19.3393 -175.841 8.2926 GPRESSURE: 4970000 -30.5746 -224.402 57.6152 -170.068 -97.7008 -142.904 -14.9724 -220.782 18.1809 PRESSAVG: 4970000 -10.066 -27.8239 -70.318 -27.8239 -42.479 -25.2218 -70.318 -25.2218 65.8391 GPRESSAVG: 4970000 -10.3545 -29.2058 -71.6676 -27.9085 -41.478 -24.3059 -70.5653 -26.7168 64.4681 TIMING: 4970000 CPU: 14392.1, 0.00290744/step Wall: 14392.1, 0.00290744/step, 0.0242287 hours remaining, 211.507812 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: 4970000 745.8221 2054.7573 1950.9187 116.4730 -206507.3891 17811.1792 0.0000 0.0000 34320.6408 -149507.5981 299.7307 -183828.2389 -149412.7407 297.9876 -71.4401 -36.6982 557761.0591 4.4313 4.2119 PRESSURE: 4970200 298.75 -83.616 33.583 -83.6158 -320.273 -54.2206 33.5825 -54.2216 -3.48498 GPRESSURE: 4970200 283.643 -146.462 23.4999 2.32672 -270.889 -106.866 -36.3345 -43.676 58.4844 PRESSAVG: 4970200 15.3281 -37.387 -21.9679 -37.387 -82.895 -41.1817 -21.9679 -41.1817 48.3174 GPRESSAVG: 4970200 14.4949 -35.5699 -21.7924 -38.082 -83.6395 -39.2058 -20.0887 -42.8994 50.1625 TIMING: 4970200 CPU: 14392.7, 0.00288888/step Wall: 14392.7, 0.00288888/step, 0.0239135 hours remaining, 211.507812 MB of memory in use. ENERGY: 4970200 725.7075 2119.3111 1970.2689 120.9384 -206107.0831 17736.5655 0.0000 0.0000 34078.4766 -149355.8151 297.6158 -183434.2918 -149265.5838 298.6511 -8.3361 23.7462 557366.0060 -6.4165 -6.3274 PRESSURE: 4970400 -473.076 -76.2445 130.069 -76.2462 -198.169 77.6996 130.069 77.6997 -135.359 GPRESSURE: 4970400 -439.312 -69.6134 73.825 -47.1298 -201.024 82.6875 144.231 79.5205 -82.3287 PRESSAVG: 4970400 -13.1074 -46.6033 36.9399 -46.6033 -12.1744 59.9989 36.9399 59.9989 -14.4912 GPRESSAVG: 4970400 -12.7177 -46.3309 36.7488 -46.4353 -12.0827 56.5884 35.8192 63.2606 -15.2981 TIMING: 4970400 CPU: 14393.3, 0.00291494/step Wall: 14393.3, 0.00291494/step, 0.0239673 hours remaining, 211.507812 MB of memory in use. ENERGY: 4970400 731.5285 2177.9443 1949.5740 104.7347 -205978.4858 17447.2371 0.0000 0.0000 34273.7496 -149293.7176 299.3212 -183567.4672 -149195.3035 298.2764 -268.8681 -240.8884 558541.7479 -13.2577 -13.3662 PRESSURE: 4970600 -21.4033 -59.8908 -56.8388 -59.8908 182.554 -50.4618 -56.839 -50.4621 -71.178 GPRESSURE: 4970600 26.3128 26.812 -39.8154 -78.111 222.554 -43.3957 -32.7639 -85.1368 -71.9561 PRESSAVG: 4970600 -22.2077 -21.0574 -23.8637 -21.0575 30.1507 48.1144 -23.8638 48.1146 -22.1345 GPRESSAVG: 4970600 -21.544 -20.3708 -22.6944 -21.3204 30.3651 51.4527 -24.6251 45.1998 -22.9791 TIMING: 4970600 CPU: 14393.8, 0.0029048/step Wall: 14393.8, 0.0029048/step, 0.0237225 hours remaining, 211.507812 MB of memory in use. ENERGY: 4970600 779.7351 2098.1478 1915.5459 112.3516 -206272.4745 17942.7588 0.0000 0.0000 34072.9903 -149350.9449 297.5679 -183423.9353 -149251.7248 299.2026 29.9909 58.9701 557621.5800 -4.7305 -4.7193 PRESSURE: 4970800 -85.8749 -45.8164 17.9654 -45.8163 -182.439 -84.1411 17.9658 -84.1431 -211.446 GPRESSURE: 4970800 -116.212 -12.8898 -33.6583 -119.568 -85.2055 -117.576 8.16385 -100.554 -190.572 PRESSAVG: 4970800 49.2574 -32.3648 -46.7389 -32.3647 -32.724 -14.933 -46.7388 -14.9331 -63.8367 GPRESSAVG: 4970800 47.6738 -34.3707 -47.5757 -31.0131 -32.2807 -15.6362 -47.6824 -14.7806 -62.1984 TIMING: 4970800 CPU: 14394.4, 0.00290334/step Wall: 14394.4, 0.00290334/step, 0.0235493 hours remaining, 211.507812 MB of memory in use. ENERGY: 4970800 757.9523 2125.4220 1934.9050 123.9318 -205979.9011 17467.5730 0.0000 0.0000 34354.6247 -149215.4923 300.0275 -183570.1170 -149113.7587 298.9234 -159.9202 -130.6634 558569.4795 -15.7678 -15.6018 PRESSURE: 4971000 15.3399 57.2083 -31.4974 57.2079 -23.7036 14.1552 -31.498 14.1547 -360.998 GPRESSURE: 4971000 50.6129 27.2067 -81.7528 100.228 -0.481642 -60.954 8.91523 31.3813 -317.192 PRESSAVG: 4971000 7.73963 -20.1523 -37.9355 -20.1523 70.1375 11.7988 -37.9355 11.7988 -31.276 GPRESSAVG: 4971000 7.36212 -18.8817 -37.7966 -20.2582 71.0166 9.97406 -36.4453 12.8854 -32.1715 TIMING: 4971000 CPU: 14395, 0.00290033/step Wall: 14395, 0.00290033/step, 0.0233638 hours remaining, 211.507812 MB of memory in use. ENERGY: 4971000 763.8924 2094.5597 1913.9818 105.4860 -206270.0103 17792.5896 0.0000 0.0000 34388.6646 -149210.8362 300.3248 -183599.5008 -149111.7792 299.2608 -123.1206 -89.0201 558015.4140 15.5337 15.4024 PRESSURE: 4971200 -189.319 -1.70205 -59.7646 -1.70357 110.03 4.93663 -59.7652 4.93689 -169.132 GPRESSURE: 4971200 -168.089 110.669 -98.5884 -52.909 97.8719 78.7733 7.93745 -23.6438 -81.454 PRESSAVG: 4971200 -43.9411 -9.16288 -29.9642 -9.16281 54.1081 -68.5137 -29.9642 -68.5137 -2.49056 GPRESSAVG: 4971200 -41.9515 -9.03645 -29.6224 -7.88847 53.1509 -65.8222 -29.254 -69.9113 -3.68895 TIMING: 4971200 CPU: 14395.6, 0.00291258/step Wall: 14395.6, 0.00291258/step, 0.0233006 hours remaining, 211.507812 MB of memory in use. ENERGY: 4971200 748.2768 2121.9819 1943.6689 115.9895 -205978.0168 17666.9968 0.0000 0.0000 34326.5240 -149054.5790 299.7821 -183381.1029 -148958.3127 299.1854 -82.8072 -50.5571 557526.6630 2.5588 2.5035 PRESSURE: 4971400 -175.56 171.665 -25.4367 171.665 -34.8451 165.801 -25.4376 165.802 -105.945 GPRESSURE: 4971400 -110.62 168.417 -144.661 172.839 -12.2887 137.511 42.558 102.367 -84.0501 PRESSAVG: 4971400 21.0261 0.951219 13.3435 0.951223 52.7407 -9.4656 13.3435 -9.4656 -47.4932 GPRESSAVG: 4971400 19.6297 0.323102 13.8908 1.16812 53.1238 -11.2179 14.4202 -8.99488 -46.525 TIMING: 4971400 CPU: 14396.2, 0.00288904/step Wall: 14396.2, 0.00288904/step, 0.0229518 hours remaining, 211.507812 MB of memory in use. ENERGY: 4971400 730.2244 2146.5517 1957.1020 90.7542 -206062.4195 17778.0961 0.0000 0.0000 34201.0977 -149158.5933 298.6867 -183359.6910 -149068.2247 299.0815 -105.4500 -68.9864 558437.9592 8.7579 8.7428 PRESSURE: 4971600 -27.856 -73.4903 153.881 -73.4894 36.7499 -17.4918 153.881 -17.4914 123.777 GPRESSURE: 4971600 39.257 2.94524 257.655 -134.856 34.1827 -48.7947 158.762 -27.4781 161.48 PRESSAVG: 4971600 -25.0039 -17.2489 44.5249 -17.2489 15.4061 -36.4264 44.525 -36.4264 2.18112 GPRESSAVG: 4971600 -23.1231 -16.2572 43.0109 -18.0382 14.2279 -35.6417 43.2369 -37.8031 1.5714 TIMING: 4971600 CPU: 14396.7, 0.00288959/step Wall: 14396.7, 0.00288959/step, 0.0227956 hours remaining, 211.507812 MB of memory in use. ENERGY: 4971600 710.2034 2098.2365 1933.4533 117.2944 -206233.4366 17744.2932 0.0000 0.0000 34416.6532 -149213.3026 300.5692 -183629.9559 -149120.5505 298.8796 44.2238 78.3065 556600.9762 -2.4722 -2.4413 PRESSURE: 4971800 -12.5611 -137.586 21.8363 -137.585 115.36 -242.316 21.8371 -242.317 -92.0779 GPRESSURE: 4971800 -12.8413 -66.5665 13.8222 -161.501 181.446 -227.855 -27.1036 -118.915 -62.7836 PRESSAVG: 4971800 -24.118 4.64702 40.0997 4.64703 41.9323 -2.33827 40.0998 -2.33841 59.0128 GPRESSAVG: 4971800 -26.4594 4.97353 43.1403 3.19504 42.6864 -3.60832 37.8596 -0.0195437 60.7618 TIMING: 4971800 CPU: 14397.3, 0.00290177/step Wall: 14397.3, 0.00290177/step, 0.0227305 hours remaining, 211.507812 MB of memory in use. ENERGY: 4971800 750.1034 2108.7075 1959.1396 124.6019 -206164.0102 17725.4699 0.0000 0.0000 34356.2284 -149139.7594 300.0415 -183495.9878 -149036.3952 299.5588 3.5735 35.2738 556706.9265 25.6090 25.6629 PRESSURE: 4972000 -123.022 -132.104 2.1214 -132.104 -144.257 -105.514 2.12011 -105.512 -149.185 GPRESSURE: 4972000 -56.9018 -104.743 -63.0646 -103.73 -136.304 -111.177 44.5364 -40.8121 -122.884 PRESSAVG: 4972000 2.67815 -37.975 97.4378 -37.9751 11.7805 -9.80794 97.4379 -9.80796 -20.6901 GPRESSAVG: 4972000 3.58523 -40.3675 96.2957 -35.7806 10.4352 -10.3518 99.1723 -10.3768 -20.5395 TIMING: 4972000 CPU: 14397.9, 0.00289034/step Wall: 14397.9, 0.00289034/step, 0.0224804 hours remaining, 211.507812 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: 4972000 753.8970 2066.0047 1957.4647 121.9362 -205874.6625 17586.2003 0.0000 0.0000 34084.5154 -149304.6442 297.6686 -183389.1596 -149215.7028 299.5404 -138.8214 -105.3635 558801.1044 -2.0771 -2.1730 PRESSURE: 4972200 -0.871245 -92.8837 69.3281 -92.8829 265.074 -38.9659 69.3284 -38.9658 0.20799 GPRESSURE: 4972200 57.9583 -68.3813 90.7537 -146.114 273.541 33.4308 57.0353 -94.6393 30.6339 PRESSAVG: 4972200 -27.1041 -9.34883 43.9267 -9.34893 38.2368 -13.198 43.9266 -13.198 37.3386 GPRESSAVG: 4972200 -27.8522 -7.88123 42.3153 -12.1123 39.6597 -9.98448 44.444 -15.6233 35.831 TIMING: 4972200 CPU: 14398.5, 0.0028835/step Wall: 14398.5, 0.0028835/step, 0.0222671 hours remaining, 211.507812 MB of memory in use. ENERGY: 4972200 716.1043 2100.2033 1915.1974 124.0566 -206203.9737 17887.1309 0.0000 0.0000 34032.0535 -149429.2276 297.2104 -183461.2811 -149329.1328 298.7855 88.1370 120.7112 556711.4424 16.1571 15.8795 LDB: ============= START OF LOAD BALANCING ============== 14401.9 LDB: ============== END OF LOAD BALANCING =============== 14401.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14401.9 LDB: ============= START OF LOAD BALANCING ============== 14402.1 LDB: Largest compute 4773 load 0.029417 is 24.9% of average load 0.117980 LDB: Average compute 0.001735 is 1.5% of average load 0.117980 LDB: TIME 14402.1 LOAD: AVG 0.11798 MAX 0.178947 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.559 MB LDB: TIME 14402.1 LOAD: AVG 0.11798 MAX 0.178947 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.629 MB LDB: TIME 14402.1 LOAD: AVG 0.11798 MAX 0.178947 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14402.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14402.2 PRESSURE: 4972400 -389.091 -101.652 -49.5399 -101.653 -37.7459 105.368 -49.5395 105.367 137.91 GPRESSURE: 4972400 -356.726 -98.4837 -74.0878 -94.1691 5.0378 20.5819 -78.6772 175.18 162.186 PRESSAVG: 4972400 -49.4188 -4.02779 48.6555 -4.0278 51.9118 -0.409263 48.6555 -0.409316 -0.94408 GPRESSAVG: 4972400 -48.0386 -6.16855 48.9301 -0.256548 52.0249 -2.61639 49.1302 1.46081 -1.65749 TIMING: 4972400 CPU: 14399.1, 0.0029666/step Wall: 14399.1, 0.0029666/step, 0.022744 hours remaining, 212.082031 MB of memory in use. ENERGY: 4972400 764.5058 2131.0691 1923.2985 113.6848 -206367.2560 17732.8284 0.0000 0.0000 34229.9899 -149471.8795 298.9390 -183701.8694 -149374.2990 298.2450 -96.3091 -63.1673 555887.9253 0.5163 0.7763 PRESSURE: 4972600 53.0532 -92.524 -22.5379 -92.524 184.367 24.2194 -22.5368 24.2214 130.48 GPRESSURE: 4972600 159.575 65.1292 -69.0712 -141.091 177.937 10.3038 68.3133 90.4695 123.865 PRESSAVG: 4972600 -32.2452 -43.0475 15.1129 -43.0474 63.4025 30.3389 15.1128 30.3388 -3.86746 GPRESSAVG: 4972600 -32.0711 -41.0058 16.8665 -45.2631 62.539 31.5374 13.2781 30.8776 -3.48411 TIMING: 4972600 CPU: 14399.6, 0.00293821/step Wall: 14399.6, 0.00293821/step, 0.022363 hours remaining, 212.082031 MB of memory in use. ENERGY: 4972600 723.3536 2082.2384 1945.8689 119.7701 -206713.6585 18207.3116 0.0000 0.0000 34300.5403 -149334.5757 299.5551 -183635.1160 -149234.7689 298.7136 122.6332 153.7924 556496.4882 9.0966 8.9946 PRESSURE: 4972800 90.5161 -72.6759 148.219 -72.6765 223.418 118.24 148.219 118.242 -45.465 GPRESSURE: 4972800 123.837 -83.8453 182.682 -8.78831 203.167 124.02 181.356 125.465 38.3541 PRESSAVG: 4972800 55.9556 14.2612 67.1501 14.2612 1.80113 -7.88285 67.1501 -7.88297 -51.645 GPRESSAVG: 4972800 54.6012 15.0942 65.9229 13.1418 2.41087 -9.27909 68.8616 -7.49006 -50.9978 TIMING: 4972800 CPU: 14400.2, 0.00290235/step Wall: 14400.2, 0.00290235/step, 0.0219289 hours remaining, 212.082031 MB of memory in use. ENERGY: 4972800 747.6647 2078.7534 1932.5320 107.2935 -206789.0695 18067.2169 0.0000 0.0000 34405.4690 -149450.1399 300.4715 -183855.6089 -149345.8752 298.2936 89.4896 121.7861 556607.3854 2.0372 2.0048 PRESSURE: 4973000 120.823 16.346 168.058 16.3465 -93.9586 19.365 168.057 19.3655 250.186 GPRESSURE: 4973000 157.113 58.8721 152.166 56.9933 -33.3138 71.7093 176.947 -14.6558 250.772 PRESSAVG: 4973000 56.6775 -49.5675 54.0921 -49.5675 41.6734 -28.6215 54.092 -28.6215 -26.3242 GPRESSAVG: 4973000 56.7479 -50.2462 53.5128 -50.8393 41.4579 -28.3006 55.6833 -30.2144 -26.3254 TIMING: 4973000 CPU: 14400.8, 0.00289048/step Wall: 14400.8, 0.00289048/step, 0.0216786 hours remaining, 212.082031 MB of memory in use. ENERGY: 4973000 751.8824 2080.4664 1964.6651 109.8895 -206448.7118 17995.5760 0.0000 0.0000 34337.6021 -149208.6301 299.8788 -183546.2323 -149112.6682 299.3014 92.3501 124.8570 557847.9191 24.0089 23.9601 PRESSURE: 4973200 -118.789 68.7617 -13.6664 68.7608 -214.768 -41.3063 -13.6658 -41.3059 -156.147 GPRESSURE: 4973200 -137.768 59.9655 -70.6812 61.1713 -208.887 -4.5496 -69.6408 -21.7485 -61.4276 PRESSAVG: 4973200 12.392 -11.0897 -21.6543 -11.0897 -59.2987 -2.04653 -21.6543 -2.04642 33.4246 GPRESSAVG: 4973200 11.3961 -11.5342 -20.7311 -9.1131 -58.3394 -2.17773 -25.1043 -0.383537 33.2448 TIMING: 4973200 CPU: 14401.4, 0.00289496/step Wall: 14401.4, 0.00289496/step, 0.0215513 hours remaining, 212.082031 MB of memory in use. ENERGY: 4973200 760.8622 2116.3975 1979.3697 113.8024 -206263.8652 17667.7552 0.0000 0.0000 34455.5613 -149170.1170 300.9090 -183625.6783 -149075.3480 298.9901 -163.2347 -136.0274 558054.5336 -4.4940 -4.5662 PRESSURE: 4973400 -285.718 -23.0432 193.664 -23.0429 104.534 12.2968 193.664 12.2969 -154.008 GPRESSURE: 4973400 -264.364 -33.797 183.482 -4.40015 98.0643 -42.4637 192.328 61.1728 -82.6597 PRESSAVG: 4973400 42.998 8.52123 38.3882 8.52115 -43.204 -33.3141 38.3881 -33.314 8.22195 GPRESSAVG: 4973400 44.5944 8.05347 39.4452 9.33841 -44.4917 -32.954 40.8774 -33.1628 7.98303 TIMING: 4973400 CPU: 14402, 0.00291535/step Wall: 14402, 0.00291535/step, 0.0215412 hours remaining, 212.082031 MB of memory in use. ENERGY: 4973400 738.4617 2078.9682 1945.8000 111.8818 -206255.3060 17727.2413 0.0000 0.0000 34538.9494 -149114.0036 301.6372 -183652.9530 -149012.2852 299.5684 -111.7307 -82.9864 559088.7504 2.6720 2.6952 PRESSURE: 4973600 249.696 -102.699 -187.287 -102.698 537.775 254.423 -187.287 254.424 148.632 GPRESSURE: 4973600 310.114 -200.679 -54.2883 -49.486 544.263 351.817 -214.53 165.043 186.563 PRESSAVG: 4973600 -23.2293 -40.3839 -39.5643 -40.384 38.1589 32.7673 -39.5643 32.7675 9.68106 GPRESSAVG: 4973600 -24.1168 -41.0085 -38.8455 -39.4012 38.5802 34.9907 -40.2299 29.8553 9.60055 TIMING: 4973600 CPU: 14402.5, 0.00291037/step Wall: 14402.5, 0.00291037/step, 0.0213427 hours remaining, 212.082031 MB of memory in use. ENERGY: 4973600 735.8273 2084.9745 1935.3113 111.3241 -206586.8064 18074.2781 0.0000 0.0000 34318.0240 -149327.0670 299.7078 -183645.0910 -149229.0310 299.5947 312.0342 346.9804 554383.4644 8.2035 8.0213 PRESSURE: 4973800 -76.6873 127.484 -24.6923 127.484 148.681 163.466 -24.6927 163.464 -26.877 GPRESSURE: 4973800 -18.1907 100.291 -67.576 90.541 210.017 86.3869 74.8924 175.551 -27.4023 PRESSAVG: 4973800 -33.1027 -21.7532 -0.373969 -21.7531 27.7029 5.10004 -0.373932 5.09993 65.4022 GPRESSAVG: 4973800 -31.8865 -20.4895 0.18079 -25.2066 26.9434 2.53316 0.920155 7.16206 65.0517 TIMING: 4973800 CPU: 14403.1, 0.00289858/step Wall: 14403.1, 0.00289858/step, 0.0210952 hours remaining, 212.082031 MB of memory in use. ENERGY: 4973800 785.0696 2084.7867 1970.5565 116.3515 -206328.9550 17973.1969 0.0000 0.0000 34248.6319 -149150.3619 299.1018 -183398.9938 -149049.7673 299.5511 15.0390 54.8081 556754.5889 20.0008 20.0362 PRESSURE: 4974000 -122.246 68.6946 73.052 68.6945 -283.793 -47.5078 73.0532 -47.5081 39.6455 GPRESSURE: 4974000 -183.277 74.7789 50.1351 65.7537 -190.708 48.8674 89.7414 -89.9333 94.0229 PRESSAVG: 4974000 6.22558 7.47068 -6.91475 7.47066 -16.4789 23.1949 -6.91477 23.1949 36.1871 GPRESSAVG: 4974000 5.59956 7.58353 -6.96808 9.09989 -16.0221 24.4348 -10.0371 22.5652 36.3903 TIMING: 4974000 CPU: 14403.7, 0.00288783/step Wall: 14403.7, 0.00288783/step, 0.0208565 hours remaining, 212.082031 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: 4974000 754.6252 2060.7341 1984.7251 113.5778 -206007.6588 17593.5496 0.0000 0.0000 34434.1637 -149066.2834 300.7221 -183500.4470 -148959.6821 299.5453 -122.1313 -93.3207 557224.5273 8.6446 8.6559 PRESSURE: 4974200 69.8136 48.2941 -271.323 48.2934 -215.758 -69.2082 -271.322 -69.2092 220.526 GPRESSURE: 4974200 82.9663 124.552 -234.13 -62.0981 -123.956 -92.9735 -217.713 -18.8387 209.567 PRESSAVG: 4974200 20.1255 -12.7554 -28.9392 -12.7555 -22.7861 8.39953 -28.9392 8.39948 58.742 GPRESSAVG: 4974200 19.4733 -13.1919 -29.7798 -13.9402 -22.8678 9.33095 -27.4114 8.96186 59.5081 TIMING: 4974200 CPU: 14404.3, 0.0028952/step Wall: 14404.3, 0.0028952/step, 0.0207489 hours remaining, 212.082031 MB of memory in use. ENERGY: 4974200 753.2902 2034.8840 1959.3176 108.8719 -206072.4393 17815.5935 0.0000 0.0000 34347.0762 -149053.4059 299.9616 -183400.4821 -148953.2953 299.3205 24.8605 56.1923 558038.1157 18.6938 18.7045 PRESSURE: 4974400 146.828 79.3094 -52.1351 79.3078 93.4755 175.878 -52.1342 175.878 -167.699 GPRESSURE: 4974400 183.183 16.7035 31.5873 118.109 132.866 241.325 -25.9041 164.703 -150.613 PRESSAVG: 4974400 -35.8005 -38.2721 -42.9567 -38.2721 -7.56756 44.0406 -42.9567 44.0405 17.3583 GPRESSAVG: 4974400 -35.6031 -36.6083 -44.5165 -38.4763 -8.00858 43.0601 -43.219 43.8811 18.0283 TIMING: 4974400 CPU: 14404.9, 0.00290746/step Wall: 14404.9, 0.00290746/step, 0.0206753 hours remaining, 212.082031 MB of memory in use. ENERGY: 4974400 727.9130 2103.7227 1973.5656 121.4077 -206156.6004 17900.7710 0.0000 0.0000 34358.2881 -148970.9323 300.0595 -183329.2204 -148870.3467 300.4114 24.2013 55.1452 559141.8002 -8.6699 -8.5278 PRESSURE: 4974600 60.0752 193.158 41.389 193.159 -119.21 -111.741 41.3884 -111.739 -205.588 GPRESSURE: 4974600 72.4401 97.8255 27.2893 261.871 -97.9559 -101.763 116.49 -89.5144 -150.052 PRESSAVG: 4974600 45.8346 32.3941 -19.0505 32.3941 -25.9418 37.5234 -19.0504 37.5235 -12.2417 GPRESSAVG: 4974600 46.5345 31.1675 -19.6074 34.0926 -26.8261 38.7468 -19.012 37.7481 -12.8961 TIMING: 4974600 CPU: 14405.4, 0.00288193/step Wall: 14405.4, 0.00288193/step, 0.0203336 hours remaining, 212.082031 MB of memory in use. ENERGY: 4974600 721.2196 2078.0211 1923.1770 118.6563 -206118.3829 17653.1022 0.0000 0.0000 34455.1354 -149169.0713 300.9053 -183624.2068 -149068.1003 299.9428 -88.2409 -58.5226 556351.4947 2.5503 2.2708 PRESSURE: 4974800 -59.3881 -120.075 -46.2033 -120.074 -47.032 152.499 -46.2029 152.5 14.3753 GPRESSURE: 4974800 -35.7477 -78.9045 -55.5546 -165.57 -14.1088 204.439 21.0181 133.497 46.7294 PRESSAVG: 4974800 0.493382 -27.2726 -46.0939 -27.2725 -28.4018 -26.9459 -46.094 -26.9458 56.6904 GPRESSAVG: 4974800 1.02134 -25.4921 -46.4072 -28.0212 -27.928 -28.54 -43.6353 -28.1441 54.9166 TIMING: 4974800 CPU: 14406, 0.0028791/step Wall: 14406, 0.0028791/step, 0.0201537 hours remaining, 212.082031 MB of memory in use. ENERGY: 4974800 764.7882 2088.7628 1982.9749 122.8741 -206387.7590 17907.3423 0.0000 0.0000 34386.8165 -149134.2001 300.3086 -183521.0166 -149046.9423 299.5662 -30.6816 -1.0424 556939.8285 9.5940 9.3366 PRESSURE: 4975000 -98.4861 56.8602 -21.0503 56.86 -15.3511 24.0305 -21.0508 24.0318 24.1407 GPRESSURE: 4975000 -44.8219 65.3122 -38.391 97.0839 -2.09624 21.0974 21.6833 10.6354 50.726 PRESSAVG: 4975000 2.79725 -31.315 12.356 -31.315 53.4849 41.8516 12.356 41.8516 -31.8025 GPRESSAVG: 4975000 1.79445 -31.4355 13.4794 -32.1454 52.6572 41.8872 11.0554 43.1951 -30.5816 TIMING: 4975000 CPU: 14406.6, 0.00288002/step Wall: 14406.6, 0.00288002/step, 0.0200001 hours remaining, 212.082031 MB of memory in use. ENERGY: 4975000 751.5071 2075.7096 1961.4194 111.3673 -206424.9972 17966.9291 0.0000 0.0000 34370.4808 -149187.5838 300.1660 -183558.0646 -149085.8564 299.0088 -29.8988 1.2693 558302.3463 8.1599 7.9567 PRESSURE: 4975200 -191.829 -80.1131 -36.6136 -80.1127 -249.785 102.731 -36.6139 102.731 -21.4168 GPRESSURE: 4975200 -200.175 -176.255 -39.7932 -55.0263 -195.416 166.229 28.5853 58.4952 38.7634 PRESSAVG: 4975200 -42.7352 2.50607 -33.2251 2.50613 -34.4529 34.1621 -33.2251 34.162 17.9468 GPRESSAVG: 4975200 -43.3837 1.26392 -33.1872 4.38729 -32.7348 33.6724 -33.7954 35.092 16.9977 TIMING: 4975200 CPU: 14407.2, 0.00288018/step Wall: 14407.2, 0.00288018/step, 0.0198412 hours remaining, 212.082031 MB of memory in use. ENERGY: 4975200 708.7926 2083.3894 1930.6582 110.0616 -205998.4528 17496.8384 0.0000 0.0000 34315.2198 -149353.4928 299.6833 -183668.7126 -149254.1939 299.1958 -154.3437 -118.9423 556908.1656 -19.7471 -19.7069 PRESSURE: 4975400 -145.99 79.7499 77.9583 79.7509 -280.716 34.5098 77.9579 34.5094 -85.329 GPRESSURE: 4975400 -96.7732 77.2547 130.174 132.811 -305.599 25.4939 45.9057 20.6432 -17.4415 PRESSAVG: 4975400 -9.93185 18.6966 0.429891 18.6966 -92.3812 -17.4551 0.429895 -17.4549 116.357 GPRESSAVG: 4975400 -8.9444 20.0578 -0.705628 16.8473 -92.8525 -16.8794 1.7461 -18.1084 115.982 TIMING: 4975400 CPU: 14407.8, 0.00290209/step Wall: 14407.8, 0.00290209/step, 0.0198309 hours remaining, 212.082031 MB of memory in use. ENERGY: 4975400 778.5470 2075.3209 1954.0442 103.3093 -205910.6077 17433.4080 0.0000 0.0000 34189.1463 -149376.8321 298.5823 -183565.9784 -149281.8768 298.6876 -170.6784 -139.9379 557796.8111 4.6813 4.7285 PRESSURE: 4975600 -225.748 206.127 -149.541 206.128 -265.799 6.25919 -149.541 6.25895 -109.803 GPRESSURE: 4975600 -219.442 155.903 -35.5898 127.537 -266.621 63.4244 -85.2243 -74.0683 -32.4769 PRESSAVG: 4975600 20.8464 32.2268 79.3472 32.2268 -30.7551 11.626 79.3472 11.626 85.2328 GPRESSAVG: 4975600 20.0496 30.671 79.8554 32.1713 -31.8229 10.5016 79.2221 12.8091 86.9975 TIMING: 4975600 CPU: 14408.3, 0.00289552/step Wall: 14408.3, 0.00289552/step, 0.0196252 hours remaining, 212.082031 MB of memory in use. ENERGY: 4975600 769.7551 2108.8086 1963.7672 106.9032 -206210.8829 17749.4438 0.0000 0.0000 34013.7275 -149498.4775 297.0503 -183512.2050 -149404.7361 299.3928 -200.4502 -172.8465 558410.2618 25.1081 25.0747 PRESSURE: 4975800 175.507 -110.051 -49.8446 -110.051 440.566 38.7322 -49.8451 38.7315 4.46626 GPRESSURE: 4975800 163.81 -62.7558 -97.3771 -92.4055 488.581 72.8772 -91.5997 47.2507 66.08 PRESSAVG: 4975800 6.48427 5.41048 -5.47726 5.41039 3.70168 40.1466 -5.47738 40.1466 17.9682 GPRESSAVG: 4975800 7.19547 5.26392 -6.13098 7.09796 4.96262 40.0036 -6.08453 39.6877 16.4372 TIMING: 4975800 CPU: 14408.9, 0.0028771/step Wall: 14408.9, 0.0028771/step, 0.0193405 hours remaining, 212.082031 MB of memory in use. ENERGY: 4975800 754.4096 2074.3480 1953.7066 116.8307 -207031.6842 18220.5766 0.0000 0.0000 34302.0112 -149609.8013 299.5680 -183911.8125 -149521.8130 298.2549 206.8464 239.4903 555177.9514 9.3847 9.5318 PRESSURE: 4976000 206.389 135.364 21.0922 135.363 122.304 156.952 21.0933 156.954 273.539 GPRESSURE: 4976000 272.8 64.3917 -0.431261 199.416 161.589 107.253 35.7109 87.5144 269.49 PRESSAVG: 4976000 -33.3287 18.5505 28.6428 18.5506 66.6189 7.07192 28.6429 7.07201 -1.8377 GPRESSAVG: 4976000 -34.5337 17.7165 28.9459 19.1436 67.3092 7.85092 29.7146 5.25202 -1.41225 TIMING: 4976000 CPU: 14409.5, 0.00288124/step Wall: 14409.5, 0.00288124/step, 0.0192083 hours remaining, 212.082031 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: 4976000 685.8261 1986.8802 1931.9612 121.0162 -206681.4743 17970.9484 0.0000 0.0000 34275.0268 -149709.8155 299.3323 -183984.8422 -149615.1420 298.0417 200.7441 234.6263 555729.9985 10.4842 10.4544 PRESSURE: 4976200 285.264 6.71245 -63.1284 6.71213 -4.31298 -60.5207 -63.1296 -60.5219 133.2 GPRESSURE: 4976200 281.93 18.4597 -4.76179 51.6543 93.7952 -151.506 -32.4898 -62.0664 128.589 PRESSAVG: 4976200 13.4906 -23.0191 58.503 -23.0191 -34.4351 45.0526 58.503 45.0526 40.54 GPRESSAVG: 4976200 13.9275 -22.7057 59.9273 -23.1566 -34.914 42.416 57.6183 46.7257 40.4641 TIMING: 4976200 CPU: 14410.1, 0.0028705/step Wall: 14410.1, 0.0028705/step, 0.0189772 hours remaining, 212.082031 MB of memory in use. ENERGY: 4976200 760.8033 2066.0719 1921.3704 123.9084 -206847.6620 18060.8977 0.0000 0.0000 34266.8028 -149647.8075 299.2605 -183914.6103 -149551.6256 298.5630 138.0504 168.1048 556613.4265 6.5318 6.4925 LDB: ============= START OF LOAD BALANCING ============== 14413.4 LDB: ============== END OF LOAD BALANCING =============== 14413.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14413.4 LDB: ============= START OF LOAD BALANCING ============== 14413.7 LDB: Largest compute 4773 load 0.030216 is 25.6% of average load 0.118032 LDB: Average compute 0.001738 is 1.5% of average load 0.118032 LDB: TIME 14413.7 LOAD: AVG 0.118032 MAX 0.18055 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.023 MB LDB: TIME 14413.7 LOAD: AVG 0.118032 MAX 0.18055 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: TIME 14413.7 LOAD: AVG 0.118032 MAX 0.18055 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.023 MB LDB: ============== END OF LOAD BALANCING =============== 14413.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14413.7 PRESSURE: 4976400 19.2441 52.3709 102.547 52.3705 123.48 77.7904 102.548 77.7896 -110.046 GPRESSURE: 4976400 53.1221 70.3962 54.771 13.8944 112.468 47.5532 79.8466 105.738 -35.2014 PRESSAVG: 4976400 23.447 -21.4521 0.903099 -21.4522 20.2204 38.6083 0.903117 38.6083 -58.253 GPRESSAVG: 4976400 22.8879 -20.0659 0.191797 -23.1276 20.1673 39.5438 -0.823854 36.9825 -57.8013 TIMING: 4976400 CPU: 14410.6, 0.00296069/step Wall: 14410.6, 0.00296069/step, 0.019409 hours remaining, 212.082031 MB of memory in use. ENERGY: 4976400 758.1855 2065.9941 1948.0874 114.0978 -206403.1075 17799.5382 0.0000 0.0000 34096.7716 -149620.4330 297.7756 -183717.2046 -149528.8163 298.2886 10.8927 43.4630 556358.8913 -4.8618 -4.9154 PRESSURE: 4976600 119.506 30.6029 -106.558 30.6017 45.3096 -107.082 -106.559 -107.084 -23.436 GPRESSURE: 4976600 176.369 20.7018 -144.582 49.9412 29.4377 -41.3483 -67.1587 -142.068 47.7345 PRESSAVG: 4976600 -17.2634 -26.0771 -15.3651 -26.077 21.6379 14.8836 -15.3651 14.8836 16.1394 GPRESSAVG: 4976600 -17.1652 -25.3952 -14.1878 -27.1078 20.3804 16.6799 -13.4585 16.2885 17.3462 TIMING: 4976600 CPU: 14411.2, 0.0028926/step Wall: 14411.2, 0.0028926/step, 0.0188019 hours remaining, 212.082031 MB of memory in use. ENERGY: 4976600 748.8179 2048.9905 1935.2722 105.8610 -206514.8461 17992.4776 0.0000 0.0000 34102.0017 -149581.4253 297.8213 -183683.4270 -149487.0737 298.4147 47.1265 84.5139 557184.2949 6.8379 6.8538 PRESSURE: 4976800 -309.158 -79.9618 124.826 -79.9621 -57.6848 61.2734 124.827 61.2727 -227.136 GPRESSURE: 4976800 -237.345 -90.9763 211.52 -91.5298 -12.0679 93.3777 138.988 69.66 -252.607 PRESSAVG: 4976800 -41.837 -49.9346 -25.4243 -49.9347 -34.1906 59.0058 -25.4242 59.0057 66.3098 GPRESSAVG: 4976800 -41.1486 -51.4948 -25.2012 -49.7672 -33.9964 57.3263 -25.528 58.5819 65.484 TIMING: 4976800 CPU: 14411.8, 0.00288188/step Wall: 14411.8, 0.00288188/step, 0.0185721 hours remaining, 212.082031 MB of memory in use. ENERGY: 4976800 748.3391 2079.0529 1941.2355 112.8284 -206042.8691 17598.6382 0.0000 0.0000 34012.7519 -149550.0232 297.0418 -183562.7751 -149453.8889 298.5071 -197.9927 -167.3401 558498.6251 -3.2392 -3.2203 PRESSURE: 4977000 -51.5116 -3.3441 -43.0167 -3.34475 -183.425 30.4804 -43.017 30.4807 3.98346 GPRESSURE: 4977000 -3.59578 79.6858 12.2722 -109.7 -150.891 7.75738 -9.60961 31.1176 12.1185 PRESSAVG: 4977000 13.4475 -26.5094 -37.2973 -26.5094 -8.80488 6.83532 -37.2973 6.83527 -12.313 GPRESSAVG: 4977000 13.2209 -25.7884 -38.0703 -26.5006 -8.50427 7.22589 -38.1232 7.53615 -11.7162 TIMING: 4977000 CPU: 14412.4, 0.00291895/step Wall: 14412.4, 0.00291895/step, 0.0186489 hours remaining, 212.082031 MB of memory in use. ENERGY: 4977000 743.7685 2088.0607 1933.0820 101.4317 -206410.7960 17892.3429 0.0000 0.0000 34335.0016 -149317.1086 299.8561 -183652.1103 -149221.0699 299.1776 -76.9844 -47.4561 559195.8929 -2.5568 -2.3332 PRESSURE: 4977200 -2.24777 -41.6582 -56.8286 -41.6573 229.91 61.3325 -56.8271 61.3333 -101.036 GPRESSURE: 4977200 24.5769 -56.9341 -54.9946 54.3018 280.037 30.3353 -63.6737 22.5666 -91.7556 PRESSAVG: 4977200 -33.4077 61.0687 4.71592 61.0687 53.296 16.2339 4.7159 16.234 -65.8482 GPRESSAVG: 4977200 -32.5335 61.3027 6.07158 62.917 54.0497 18.0467 5.88117 13.5885 -66.7555 TIMING: 4977200 CPU: 14413, 0.00289143/step Wall: 14413, 0.00289143/step, 0.0183124 hours remaining, 212.082031 MB of memory in use. ENERGY: 4977200 748.1375 2051.9077 1936.3441 118.8592 -206203.3206 18021.0894 0.0000 0.0000 34073.6854 -149253.2974 297.5740 -183326.9828 -149151.1164 299.0201 42.2085 70.9527 558086.8155 -15.3200 -15.0798 PRESSURE: 4977400 -175.518 132.597 64.2066 132.598 103.195 -135.356 64.2058 -135.356 366.378 GPRESSURE: 4977400 -153.888 -21.6394 79.4939 220.565 136.124 -119.808 39.6977 -123.643 393.348 PRESSAVG: 4977400 -1.28432 13.925 4.13832 13.925 82.0012 -9.44097 4.13833 -9.44098 -52.6899 GPRESSAVG: 4977400 -1.35524 10.8467 0.260975 14.8869 81.9437 -10.0212 5.59176 -8.56997 -52.6845 TIMING: 4977400 CPU: 14413.5, 0.00289077/step Wall: 14413.5, 0.00289077/step, 0.0181476 hours remaining, 212.082031 MB of memory in use. ENERGY: 4977400 750.7987 2091.3283 1956.5604 113.7866 -206362.3101 17977.3771 0.0000 0.0000 34042.7649 -149429.6940 297.3039 -183472.4589 -149335.3268 298.3229 98.0183 125.1948 556697.7172 9.3423 9.3013 PRESSURE: 4977600 -137.985 11.6317 -39.5836 11.631 -363.504 26.7496 -39.5832 26.7502 -256.439 GPRESSURE: 4977600 -141.644 21.48 -124.499 9.83318 -303.917 -38.784 11.1604 34.3595 -214.407 PRESSAVG: 4977600 -9.02068 -7.075 -49.9089 -7.07495 58.5343 7.32838 -49.9088 7.32833 -34.0686 GPRESSAVG: 4977600 -8.22417 -4.76478 -46.8159 -11.3025 57.9085 6.59207 -54.2387 6.63821 -33.9191 TIMING: 4977600 CPU: 14414.1, 0.00291484/step Wall: 14414.1, 0.00291484/step, 0.0181368 hours remaining, 212.082031 MB of memory in use. ENERGY: 4977600 730.7750 2071.1182 1926.8282 110.0593 -205498.1378 17220.9603 0.0000 0.0000 34167.1238 -149271.2730 298.3900 -183438.3968 -149170.0250 299.1358 -252.6425 -219.9892 556874.2265 5.1484 5.2551 PRESSURE: 4977800 -369.226 -47.2016 2.40409 -47.2021 -31.3498 70.3348 2.40389 70.3327 -463.977 GPRESSURE: 4977800 -324.094 -90.4138 -34.8004 -28.5386 7.90166 33.4116 39.2921 142.534 -465.855 PRESSAVG: 4977800 8.93533 44.17 -0.424013 44.17 -6.14808 43.8676 -0.42419 43.8675 -37.6182 GPRESSAVG: 4977800 7.52467 44.3864 -1.2875 45.255 -5.45628 45.2501 1.14198 43.9494 -37.6032 TIMING: 4977800 CPU: 14414.7, 0.00288526/step Wall: 14414.7, 0.00288526/step, 0.0177925 hours remaining, 212.082031 MB of memory in use. ENERGY: 4977800 745.5762 2104.6582 1951.5692 114.8774 -205617.7005 17322.3918 0.0000 0.0000 34364.8625 -149013.7652 300.1169 -183378.6278 -148918.9076 300.2293 -288.1843 -260.6826 557111.0279 -11.6103 -11.8449 PRESSURE: 4978000 -254.054 -88.9304 50.8158 -88.9303 18.3629 85.865 50.8159 85.8644 -8.31997 GPRESSURE: 4978000 -160.596 -58.8516 -26.1083 -131.832 43.8643 48.884 88.0013 165.061 -38.0093 PRESSAVG: 4978000 -32.9558 -30.1734 1.5332 -30.1733 18.6557 30.9842 1.53315 30.9842 -17.5229 GPRESSAVG: 4978000 -32.2212 -29.7596 1.54834 -29.4912 18.2687 31.1002 1.5404 32.1317 -17.6011 TIMING: 4978000 CPU: 14415.3, 0.00287663/step Wall: 14415.3, 0.00287663/step, 0.0175794 hours remaining, 212.082031 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: 4978000 734.5604 2097.1871 1963.5085 108.4394 -205717.5525 17512.7606 0.0000 0.0000 34387.3507 -148913.7457 300.3133 -183301.0964 -148814.9413 300.1696 -81.3370 -51.5805 557930.6122 -10.6077 -10.5178 PRESSURE: 4978200 34.0444 138.831 2.14096 138.831 -135.729 107.172 2.14114 107.171 -129.52 GPRESSURE: 4978200 15.6252 124.043 -78.5238 91.3516 -69.7529 163.785 83.0057 61.9542 -83.0357 PRESSAVG: 4978200 -5.16787 53.9904 -6.21876 53.9905 5.25531 19.3631 -6.21879 19.3631 -7.91896 GPRESSAVG: 4978200 -6.17188 51.913 -6.68026 55.5127 5.79525 19.6991 -5.07291 20.1405 -7.40131 TIMING: 4978200 CPU: 14415.9, 0.00289749/step Wall: 14415.9, 0.00289749/step, 0.0175459 hours remaining, 212.082031 MB of memory in use. ENERGY: 4978200 727.6326 2038.4972 1936.0559 109.7315 -206029.7406 17776.7009 0.0000 0.0000 34426.6494 -149014.4731 300.6565 -183441.1225 -148913.7595 300.6439 -77.0682 -45.7211 557618.1755 -2.6105 -2.5926 PRESSURE: 4978400 222.703 -81.3288 -40.3151 -81.3286 -9.73416 59.3181 -40.3162 59.318 124.448 GPRESSURE: 4978400 249.052 -39.5083 15.6176 -62.4388 -10.5529 86.3869 -58.6252 41.6691 196.031 PRESSAVG: 4978400 41.9332 24.3554 46.7408 24.3554 -16.6674 -25.9685 46.7406 -25.9685 -24.5349 GPRESSAVG: 4978400 42.8368 25.538 46.5512 22.7415 -18.0851 -28.2571 47.499 -26.3942 -24.8414 TIMING: 4978400 CPU: 14416.4, 0.0029091/step Wall: 14416.4, 0.0029091/step, 0.0174546 hours remaining, 212.082031 MB of memory in use. ENERGY: 4978400 750.2946 2091.9707 1951.1177 108.9417 -206220.3154 17868.3997 0.0000 0.0000 34347.4963 -149102.0948 299.9652 -183449.5911 -148996.7909 300.3442 112.4725 144.8433 556969.6744 0.2436 -0.0299 PRESSURE: 4978600 -309.698 -96.3586 -77.051 -96.3583 -105.752 4.62786 -77.0511 4.62808 -91.0276 GPRESSURE: 4978600 -287.946 -100.011 -115.591 -55.9268 -21.5704 34.6093 -27.0402 -55.8683 -117.742 PRESSAVG: 4978600 15.7815 21.7679 0.118012 21.7679 -51.3297 -33.8057 0.118111 -33.8056 -8.89441 GPRESSAVG: 4978600 14.6158 21.5836 -0.435272 22.5878 -51.4889 -33.5622 -1.86407 -34.4743 -8.19544 TIMING: 4978600 CPU: 14417, 0.00292732/step Wall: 14417, 0.00292732/step, 0.0174013 hours remaining, 212.082031 MB of memory in use. ENERGY: 4978600 753.7281 2135.5325 1938.2165 116.8278 -205627.4925 17472.3311 0.0000 0.0000 34353.0346 -148857.8218 300.0136 -183210.8564 -148754.9089 300.1245 -168.8261 -142.4195 558924.8244 -14.8142 -15.0228 PRESSURE: 4978800 -31.8853 -220.45 37.611 -220.449 161.286 113.219 37.6108 113.217 -95.4706 GPRESSURE: 4978800 6.63414 -267.682 -4.70953 -218.003 199.606 21.5594 8.5034 115.571 -72.1636 PRESSAVG: 4978800 37.1476 7.03181 7.7738 7.03189 -17.9555 -51.191 7.77381 -51.1909 -58.8994 GPRESSAVG: 4978800 38.2009 8.68531 7.45859 6.51355 -17.686 -50.7575 8.58757 -51.4096 -60.138 TIMING: 4978800 CPU: 14417.6, 0.00290512/step Wall: 14417.6, 0.00290512/step, 0.0171079 hours remaining, 212.082031 MB of memory in use. ENERGY: 4978800 770.8252 2098.7049 1938.5770 111.1068 -206209.8923 17944.3507 0.0000 0.0000 34520.7228 -148825.6049 301.4781 -183346.3277 -148721.0179 300.6296 11.3101 44.6923 557865.1605 -13.2358 -13.2077 PRESSURE: 4979000 -22.2234 22.2917 0.254625 22.2903 152.277 21.0787 0.254426 21.0786 224.774 GPRESSURE: 4979000 -10.148 26.6668 71.5658 11.1372 225.089 60.462 -52.6593 56.3907 247.264 PRESSAVG: 4979000 22.3803 13.4169 -12.7162 13.4169 -38.6295 11.5635 -12.7163 11.5635 26.8566 GPRESSAVG: 4979000 21.355 13.8687 -12.0261 11.3983 -38.1281 11.9687 -12.7867 10.7236 28.1577 TIMING: 4979000 CPU: 14418.2, 0.00291688/step Wall: 14418.2, 0.00291688/step, 0.0170151 hours remaining, 212.082031 MB of memory in use. ENERGY: 4979000 759.5818 2129.2803 1944.9670 114.6211 -206135.1796 18015.0444 0.0000 0.0000 34522.1253 -148649.5598 301.4903 -183171.6851 -148559.5020 300.4768 118.2761 154.0684 558381.8666 3.5358 3.7949 PRESSURE: 4979200 114.012 199.236 -80.7508 199.237 76.0731 174.691 -80.7495 174.691 -52.7902 GPRESSURE: 4979200 118.783 188.522 -106.527 186.871 118.581 242.306 -121.833 169.921 -5.50078 PRESSAVG: 4979200 44.3641 19.5126 -78.0188 19.5126 29.438 -14.8806 -78.0187 -14.8805 -50.4808 GPRESSAVG: 4979200 44.617 18.8772 -79.9463 20.6517 28.3823 -14.9019 -76.4255 -15.159 -50.4685 TIMING: 4979200 CPU: 14418.8, 0.00291596/step Wall: 14418.8, 0.00291596/step, 0.0168478 hours remaining, 212.082031 MB of memory in use. ENERGY: 4979200 715.3209 2161.0636 1939.2404 110.0520 -205643.0909 17699.5041 0.0000 0.0000 34432.0759 -148585.8340 300.7039 -183017.9099 -148486.5690 301.3433 45.7648 77.2878 558233.6881 7.7738 7.5102 PRESSURE: 4979400 179.617 67.5564 -44.46 67.5571 -43.6278 84.6882 -44.4603 84.6873 213.848 GPRESSURE: 4979400 217.494 119.492 -50.7353 -34.3207 42.811 29.6755 -32.7523 103.598 188.547 PRESSAVG: 4979400 -36.5128 3.27076 -16.5277 3.27067 -18.3361 9.44716 -16.5278 9.4471 -28.8725 GPRESSAVG: 4979400 -37.5035 4.37938 -14.6304 4.0317 -17.4315 9.74709 -16.8446 10.6398 -28.8014 TIMING: 4979400 CPU: 14419.4, 0.00291194/step Wall: 14419.4, 0.00291194/step, 0.0166628 hours remaining, 212.082031 MB of memory in use. ENERGY: 4979400 731.7801 2109.5218 1959.7446 106.7631 -205711.5548 17859.4858 0.0000 0.0000 34409.1720 -148535.0874 300.5039 -182944.2593 -148440.7751 301.4017 116.6124 149.6173 558638.6149 -27.9071 -27.9122 PRESSURE: 4979600 -19.606 147.779 144.606 147.778 153.534 64.4476 144.607 64.4485 129.738 GPRESSURE: 4979600 79.1551 172.88 44.028 163.522 141.409 68.1487 110.381 106.706 140.027 PRESSAVG: 4979600 -15.4588 57.8563 -1.05225 57.8562 27.1244 -1.10755 -1.05225 -1.10751 -13.2448 GPRESSAVG: 4979600 -15.2674 56.35 -3.68831 57.7492 27.6351 -1.26303 -0.802013 -0.515473 -13.4591 TIMING: 4979600 CPU: 14419.9, 0.0029366/step Wall: 14419.9, 0.0029366/step, 0.0166407 hours remaining, 212.082031 MB of memory in use. ENERGY: 4979600 754.9462 2109.9864 1949.2161 126.9345 -205837.8880 17889.0283 0.0000 0.0000 34331.5587 -148676.2178 299.8260 -183007.7765 -148578.9493 301.2395 87.8885 120.1970 556909.0813 -0.5264 -0.3638 PRESSURE: 4979800 122.174 80.7505 37.3185 80.7506 30.0372 -141.727 37.3195 -141.729 -369.968 GPRESSURE: 4979800 143.879 96.7404 17.5402 50.0638 91.5572 -138.201 57.318 -143.895 -352.235 PRESSAVG: 4979800 1.28741 15.0145 42.2841 15.0145 -8.84815 -23.5415 42.2841 -23.5415 -30.8334 GPRESSAVG: 4979800 2.02181 14.8475 43.9134 15.4301 -8.19529 -24.2929 41.5676 -23.1822 -32.1962 TIMING: 4979800 CPU: 14420.5, 0.00293832/step Wall: 14420.5, 0.00293832/step, 0.0164872 hours remaining, 212.082031 MB of memory in use. ENERGY: 4979800 724.4588 2072.9711 1939.5963 118.1849 -205665.7947 17621.3858 0.0000 0.0000 34352.4749 -148836.7230 300.0087 -183189.1978 -148745.6586 300.5081 -72.5857 -38.9330 558274.4471 -12.7980 -12.7899 PRESSURE: 4980000 147.063 -35.6653 144.079 -35.6652 -15.8799 -124.246 144.079 -124.244 348.567 GPRESSURE: 4980000 202.834 -1.3744 111.401 11.7286 44.1058 -138.656 95.6775 25.7052 337.414 PRESSAVG: 4980000 93.8845 33.8215 1.2128 33.8215 -81.0847 -4.75719 1.2128 -4.75722 36.7375 GPRESSAVG: 4980000 94.5358 37.4619 2.71002 31.0042 -82.1741 -2.37328 1.76842 -5.90483 37.0419 TIMING: 4980000 CPU: 14421.1, 0.00296594/step Wall: 14421.1, 0.00296594/step, 0.0164774 hours remaining, 212.082031 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: 4980000 729.0301 2060.1604 1988.4326 103.3086 -206100.9129 17854.2044 0.0000 0.0000 34489.7721 -148876.0046 301.2078 -183365.7768 -148779.1607 299.9876 159.9167 194.7846 558126.7306 16.5124 16.4679 PRESSURE: 4980200 -52.8922 2.18841 -32.2752 2.186 -0.70784 -102.445 -32.2763 -102.444 233.577 GPRESSURE: 4980200 7.2909 -138.403 22.8729 156.363 10.9975 -97.8078 54.8172 -29.6294 258.504 PRESSAVG: 4980200 -54.2889 11.5161 1.73356 11.5161 -65.4475 13.0597 1.73352 13.0597 81.9327 GPRESSAVG: 4980200 -54.2838 7.89066 3.19839 15.9303 -64.9075 9.85357 0.987044 14.1175 82.2723 TIMING: 4980200 CPU: 14421.7, 0.00298097/step Wall: 14421.7, 0.00298097/step, 0.0163953 hours remaining, 212.082031 MB of memory in use. ENERGY: 4980200 721.3339 2137.9130 1960.3166 116.5971 -206121.8666 18058.9407 0.0000 0.0000 34350.2744 -148776.4909 299.9895 -183126.7653 -148680.5740 300.3490 59.9924 92.2643 559388.0743 -12.6012 -12.3063 LDB: ============= START OF LOAD BALANCING ============== 14425.1 LDB: ============== END OF LOAD BALANCING =============== 14425.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14425.1 LDB: ============= START OF LOAD BALANCING ============== 14425.4 LDB: Largest compute 4773 load 0.030629 is 26.0% of average load 0.118004 LDB: Average compute 0.001739 is 1.5% of average load 0.118004 LDB: TIME 14425.4 LOAD: AVG 0.118004 MAX 0.180716 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.281 MB LDB: TIME 14425.4 LOAD: AVG 0.118004 MAX 0.180716 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.281 MB LDB: TIME 14425.4 LOAD: AVG 0.118004 MAX 0.180716 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.281 MB LDB: ============== END OF LOAD BALANCING =============== 14425.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14425.4 PRESSURE: 4980400 255.039 -36.0734 -109.035 -36.074 151.593 -141.637 -109.034 -141.637 33.2776 GPRESSURE: 4980400 284.999 -20.8373 -81.2972 -25.3988 148.35 7.50339 -34.3086 -288.831 94.3729 PRESSAVG: 4980400 -37.717 18.2371 38.5538 18.2371 -16.3448 34.0375 38.5537 34.0376 61.4497 GPRESSAVG: 4980400 -36.9234 20.0539 35.6188 16.2091 -16.9823 36.7189 37.8023 32.2908 61.5618 TIMING: 4980400 CPU: 14422.3, 0.00300143/step Wall: 14422.3, 0.00300143/step, 0.0163411 hours remaining, 215.363281 MB of memory in use. ENERGY: 4980400 709.2655 2091.4038 1959.9496 109.5440 -205897.2350 18022.2867 0.0000 0.0000 34440.9833 -148563.8020 300.7817 -183004.7853 -148469.0061 300.2234 146.6368 175.9073 557895.8088 2.4626 2.5520 PRESSURE: 4980600 -32.5876 -69.5114 -59.5266 -69.5112 17.1948 -10.0277 -59.5253 -10.0289 -213.84 GPRESSURE: 4980600 45.0421 -0.940757 36.7823 -74.424 49.2304 35.6585 -220.38 -56.865 -228.385 PRESSAVG: 4980600 45.6316 57.1458 6.70668 57.1459 -59.2068 -15.6948 6.70674 -15.6947 -5.3944 GPRESSAVG: 4980600 44.6883 55.8042 7.81736 56.0614 -57.94 -17.6361 6.77851 -15.1977 -5.24918 TIMING: 4980600 CPU: 14422.9, 0.00294538/step Wall: 14422.9, 0.00294538/step, 0.0158723 hours remaining, 215.433594 MB of memory in use. ENERGY: 4980600 708.8564 2069.6577 1950.9732 115.0399 -205450.2285 17576.0070 0.0000 0.0000 34261.0321 -148768.6622 299.2101 -183029.6943 -148675.4513 301.0025 -76.4108 -44.7041 559308.4936 -6.3232 -6.1670 PRESSURE: 4980800 -99.5991 11.9205 78.4614 11.9212 -24.0505 -77.1 78.4617 -77.1003 -59.3235 GPRESSURE: 4980800 -74.4892 4.20715 37.5849 -6.21029 23.0525 -171.337 61.5641 -63.8725 -35.3222 PRESSAVG: 4980800 68.7852 -8.84532 19.5034 -8.84528 -14.0141 12.3622 19.5034 12.3622 -32.6734 GPRESSAVG: 4980800 68.997 -8.62165 19.17 -8.66412 -13.7307 13.8444 19.446 12.5051 -33.2036 TIMING: 4980800 CPU: 14423.5, 0.00292805/step Wall: 14423.5, 0.00292805/step, 0.0156162 hours remaining, 215.433594 MB of memory in use. ENERGY: 4980800 754.4050 2049.3261 1967.0207 116.9093 -205811.0250 17758.3323 0.0000 0.0000 34565.5450 -148599.4866 301.8695 -183165.0316 -148497.4958 300.9285 -60.9910 -28.9196 557477.0589 7.3659 7.3542 PRESSURE: 4981000 -5.71347 64.7722 20.1608 64.7731 -132.832 2.81038 20.161 2.81245 43.5398 GPRESSURE: 4981000 46.1806 33.4129 -14.2738 52.6813 -98.5415 4.61641 43.6962 26.9744 50.8933 PRESSAVG: 4981000 10.7686 -1.06617 30.2923 -1.06619 -29.7151 -18.9904 30.2923 -18.9904 -9.85818 GPRESSAVG: 4981000 10.8867 -2.73493 31.218 -0.067974 -29.58 -20.0075 31.9785 -18.4347 -10.4152 TIMING: 4981000 CPU: 14424.1, 0.00291598/step Wall: 14424.1, 0.00291598/step, 0.0153899 hours remaining, 215.433594 MB of memory in use. ENERGY: 4981000 757.8782 2106.6175 1959.9658 122.6997 -206082.7134 17766.0543 0.0000 0.0000 34730.8228 -148638.6752 303.3129 -183369.4980 -148544.6629 301.4332 -31.6684 -0.4892 558201.8909 -9.6016 -9.7028 PRESSURE: 4981200 298.689 90.6106 15.5065 90.6104 122.607 97.8617 15.5064 97.8624 277.114 GPRESSURE: 4981200 376.804 34.2655 48.3048 98.6247 139.416 42.8336 -13.7164 111.562 276.192 PRESSAVG: 4981200 -18.1858 25.4082 8.48716 25.4083 21.0213 -31.9131 8.4872 -31.913 38.1691 GPRESSAVG: 4981200 -17.8197 27.8472 6.2215 26.8176 20.4393 -29.6028 8.69097 -34.2023 37.7758 TIMING: 4981200 CPU: 14424.7, 0.00290033/step Wall: 14424.7, 0.00290033/step, 0.0151462 hours remaining, 215.433594 MB of memory in use. ENERGY: 4981200 724.0883 2098.0178 1923.2537 113.0745 -205857.3129 17867.6686 0.0000 0.0000 34549.3396 -148581.8703 301.7280 -183131.2099 -148484.2275 301.1446 232.8032 264.1373 557315.1595 13.6682 13.4651 PRESSURE: 4981400 42.6384 66.9393 44.8142 66.9393 49.5482 46.027 44.815 46.0257 -151.944 GPRESSURE: 4981400 77.024 64.1339 29.0734 132.184 137.149 47.8632 94.9378 14.378 -166.364 PRESSAVG: 4981400 32.2122 -16.4964 7.63094 -16.4964 -15.748 32.5334 7.63099 32.5333 5.36974 GPRESSAVG: 4981400 31.6001 -15.6534 7.95381 -17.5474 -15.6518 32.2222 7.68333 33.4166 6.1354 TIMING: 4981400 CPU: 14425.2, 0.00289861/step Wall: 14425.2, 0.00289861/step, 0.0149762 hours remaining, 215.433594 MB of memory in use. ENERGY: 4981400 778.8949 2051.9416 1929.5583 105.3393 -205849.9035 17900.0934 0.0000 0.0000 34456.1502 -148627.9258 300.9141 -183084.0761 -148534.4514 301.0982 -19.9191 15.9363 558727.0955 7.2780 7.3612 PRESSURE: 4981600 -124.492 43.5666 10.3408 43.5661 -175.604 -17.3198 10.3398 -17.3197 -317.786 GPRESSURE: 4981600 -97.267 103.78 -49.7451 27.3334 -140.089 -2.90987 45.0319 -72.5887 -277.865 PRESSAVG: 4981600 35.6823 -21.9487 -7.3262 -21.9487 5.62326 -11.8608 -7.32614 -11.8608 -56.3051 GPRESSAVG: 4981600 34.5848 -21.3665 -3.61675 -21.2383 5.94473 -11.9847 -9.44165 -10.6972 -55.2405 TIMING: 4981600 CPU: 14425.8, 0.00289544/step Wall: 14425.8, 0.00289544/step, 0.0147989 hours remaining, 215.433594 MB of memory in use. ENERGY: 4981600 748.6380 2084.7855 1949.4313 116.5178 -205399.0516 17341.0359 0.0000 0.0000 34450.7901 -148707.8529 300.8673 -183158.6431 -148607.8586 300.7547 -205.9608 -171.7404 556318.8428 -4.9999 -4.9037 PRESSURE: 4981800 -9.56489 -107.43 -91.6531 -107.431 139.62 -0.365485 -91.6531 -0.364977 -99.7445 GPRESSURE: 4981800 10.9666 -95.6628 -70.2654 -103.321 117.05 76.6199 -127.739 42.7322 -14.852 PRESSAVG: 4981800 31.7308 7.41692 -58.1414 7.41697 -49.3864 -31.3858 -58.1413 -31.3858 65.6846 GPRESSAVG: 4981800 32.5094 5.57994 -60.5279 7.76188 -49.2327 -32.8802 -55.8221 -30.7344 65.3633 TIMING: 4981800 CPU: 14426.4, 0.00289806/step Wall: 14426.4, 0.00289806/step, 0.0146513 hours remaining, 215.433594 MB of memory in use. ENERGY: 4981800 740.7909 2090.9868 1925.9901 107.0592 -205875.6681 17706.3922 0.0000 0.0000 34361.4060 -148943.0429 300.0867 -183304.4489 -148840.8688 300.2836 10.1034 37.7216 557004.3381 16.0097 16.2133 PRESSURE: 4982000 -182.735 23.6285 -89.6669 23.6271 141.294 137.713 -89.6666 137.712 -1.41035 GPRESSURE: 4982000 -144.993 92.5523 -86.0313 -45.6823 184.642 109.268 -54.2365 212.793 6.79758 PRESSAVG: 4982000 -42.8424 9.69975 -51.0065 9.69967 16.5054 15.0047 -51.0064 15.0047 19.7037 GPRESSAVG: 4982000 -42.8984 9.50685 -53.1718 8.48129 16.3979 16.0295 -51.0337 15.8497 20.3796 TIMING: 4982000 CPU: 14427, 0.00288581/step Wall: 14427, 0.00288581/step, 0.0144291 hours remaining, 215.433594 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: 4982000 749.3694 2135.3982 1953.2947 129.3365 -205794.4512 17638.3325 0.0000 0.0000 34327.3728 -148861.3470 299.7895 -183188.7199 -148766.9736 300.1210 -14.2838 15.4824 557156.1694 -2.2111 -2.0403 PRESSURE: 4982200 -118.924 237.913 101.96 237.913 118.568 165.265 101.961 165.264 -59.3315 GPRESSURE: 4982200 -52.8484 165.81 54.7275 234.374 127.285 103.138 53.1187 182.877 -33.0369 PRESSAVG: 4982200 -18.3571 1.89259 15.5703 1.89264 -23.806 -39.809 15.5702 -39.8091 26.072 GPRESSAVG: 4982200 -17.8574 3.15626 17.4678 1.54266 -24.2107 -38.7903 15.0155 -42.6303 26.1133 TIMING: 4982200 CPU: 14427.6, 0.00289459/step Wall: 14427.6, 0.00289459/step, 0.0143121 hours remaining, 215.433594 MB of memory in use. ENERGY: 4982200 756.7541 2063.0353 1951.7182 108.7747 -205814.4478 17756.6769 0.0000 0.0000 34486.5097 -148690.9789 301.1793 -183177.4886 -148596.1714 300.1371 -19.8960 13.7998 557660.8707 -5.3637 -5.3183 PRESSURE: 4982400 -114.071 155.598 -103.57 155.598 12.6918 -163.42 -103.568 -163.419 0.960717 GPRESSURE: 4982400 -106.373 144.534 -111.43 26.5789 51.3398 -23.6302 -20.5708 -290.517 82.8298 PRESSAVG: 4982400 -110.076 20.8558 41.2702 20.8559 70.8794 15.842 41.2702 15.842 92.8458 GPRESSAVG: 4982400 -111.254 19.2504 41.3728 21.1092 72.9741 15.3889 41.7195 15.9991 92.1192 TIMING: 4982400 CPU: 14428.1, 0.00290474/step Wall: 14428.1, 0.00290474/step, 0.014201 hours remaining, 215.433594 MB of memory in use. ENERGY: 4982400 713.1402 2129.8196 1934.1264 126.1892 -205739.5783 17662.6370 0.0000 0.0000 34419.7309 -148753.9348 300.5961 -183173.6657 -148657.3228 300.5958 -33.4729 9.2656 559237.1140 17.8832 17.9465 PRESSURE: 4982600 -97.2263 145.21 -44.3998 145.209 330.05 -20.7389 -44.3993 -20.7374 265.146 GPRESSURE: 4982600 -58.8441 199.653 -51.2085 139.781 353.014 -17.9055 -47.1625 -69.8858 313.129 PRESSAVG: 4982600 -102.219 26.4566 -17.0911 26.4566 50.1979 -50.6042 -17.0911 -50.6043 40.3987 GPRESSAVG: 4982600 -100.714 28.6922 -17.6658 26.1307 48.0073 -51.1243 -16.4799 -49.0423 41.3447 TIMING: 4982600 CPU: 14428.7, 0.00291143/step Wall: 14428.7, 0.00291143/step, 0.0140719 hours remaining, 215.433594 MB of memory in use. ENERGY: 4982600 704.1827 2090.0592 1936.0637 123.4359 -205742.6476 17810.4263 0.0000 0.0000 34387.6171 -148690.8627 300.3156 -183078.4797 -148590.3725 300.7507 165.9901 202.4330 559027.0075 -3.8741 -3.7872 PRESSURE: 4982800 -26.7425 42.1713 -192.588 42.171 -111.532 35.2777 -192.588 35.2781 -442.009 GPRESSURE: 4982800 6.75574 -9.4005 -52.9439 114.69 -61.4222 2.23738 -203.839 95.8565 -434.595 PRESSAVG: 4982800 -73.5469 16.4521 -7.92798 16.4521 37.755 14.2495 -7.92794 14.2495 11.5952 GPRESSAVG: 4982800 -73.4326 15.3679 -6.68894 17.4635 39.5187 15.2263 -10.3909 14.3794 9.27132 TIMING: 4982800 CPU: 14429.3, 0.00290473/step Wall: 14429.3, 0.00290473/step, 0.0138781 hours remaining, 215.433594 MB of memory in use. ENERGY: 4982800 721.7854 2099.5141 1968.4677 104.0279 -205631.6485 17504.6884 0.0000 0.0000 34582.3529 -148650.8120 302.0163 -183233.1649 -148561.9427 300.7185 -193.4276 -163.0872 560883.1076 -8.0656 -8.2142 PRESSURE: 4983000 -175.998 -45.8948 107.646 -45.8923 48.891 -67.3538 107.647 -67.3528 -229.858 GPRESSURE: 4983000 -142.34 -44.1871 3.84728 2.31723 68.9237 -35.2589 103.112 -19.1316 -180.929 PRESSAVG: 4983000 -29.578 84.2808 -31.2159 84.2809 -47.9073 24.4077 -31.2159 24.4074 65.366 GPRESSAVG: 4983000 -30.6218 83.0031 -31.9609 84.0367 -47.9388 25.0686 -31.1538 23.6321 67.39 TIMING: 4983000 CPU: 14429.9, 0.00291441/step Wall: 14429.9, 0.00291441/step, 0.0137625 hours remaining, 215.433594 MB of memory in use. ENERGY: 4983000 751.5131 2171.1584 1963.3933 100.6526 -205729.7394 17782.3548 0.0000 0.0000 34259.4502 -148701.2170 299.1963 -182960.6672 -148611.8197 300.5485 -118.9883 -84.7817 560523.1101 -4.0398 -3.7235 PRESSURE: 4983200 76.5602 -123.088 -177.384 -123.088 -2.4581 -37.7836 -177.385 -37.7836 -158.627 GPRESSURE: 4983200 73.4249 -104.902 -140.633 -143.271 8.82772 -86.4703 -151.985 -91.9709 -76.654 PRESSAVG: 4983200 -25.4041 -9.50692 2.12078 -9.50691 -5.13882 -35.9081 2.12077 -35.9081 -3.68645 GPRESSAVG: 4983200 -24.0908 -8.97955 1.55358 -10.7963 -4.55863 -39.6528 2.15463 -35.5668 -5.11791 TIMING: 4983200 CPU: 14430.5, 0.00288045/step Wall: 14430.5, 0.00288045/step, 0.0134421 hours remaining, 215.433594 MB of memory in use. ENERGY: 4983200 752.9853 2126.7668 1967.6020 110.7470 -205627.5881 17594.4537 0.0000 0.0000 34380.5198 -148694.5135 300.2536 -183075.0333 -148596.6156 300.4206 -28.1748 1.8662 558159.2939 -11.4098 -11.2558 PRESSURE: 4983400 -143.834 -4.04959 -8.3648 -4.04999 -114.191 50.6007 -8.36603 50.6009 31.5761 GPRESSURE: 4983400 -180.625 67.3344 15.361 -17.248 -70.559 67.5732 -5.52447 34.6641 117.562 PRESSAVG: 4983400 -3.0101 -18.4193 13.8708 -18.4194 37.1258 -37.833 13.8708 -37.833 -44.3695 GPRESSAVG: 4983400 -2.90227 -18.8313 14.8485 -18.9571 36.0587 -37.1812 14.6396 -37.2793 -43.4355 TIMING: 4983400 CPU: 14431, 0.00288516/step Wall: 14431, 0.00288516/step, 0.0133038 hours remaining, 215.433594 MB of memory in use. ENERGY: 4983400 794.0845 2116.3550 1928.2433 118.2300 -205398.9399 17472.2803 0.0000 0.0000 34344.1991 -148625.5478 299.9364 -182969.7469 -148527.8417 300.5528 -75.4832 -44.5408 557262.3970 -3.4179 -3.4264 PRESSURE: 4983600 -104.734 117.249 -96.842 117.248 17.8396 -117.884 -96.8427 -117.885 -53.5728 GPRESSURE: 4983600 -102.748 63.0938 -102.251 119.62 96.6297 -156.781 -62.5493 -112.967 -36.8717 PRESSAVG: 4983600 -55.4593 8.63116 -2.79744 8.63114 32.6758 -9.80594 -2.79739 -9.80596 44.0967 GPRESSAVG: 4983600 -55.6173 11.5028 -3.96083 7.73026 32.8306 -7.97923 -4.02232 -13.1945 44.4704 TIMING: 4983600 CPU: 14431.6, 0.00288928/step Wall: 14431.6, 0.00288928/step, 0.0131623 hours remaining, 215.433594 MB of memory in use. ENERGY: 4983600 728.6015 2103.9612 1954.7145 107.7457 -205394.4859 17592.4999 0.0000 0.0000 34409.1562 -148497.8068 300.5037 -182906.9630 -148402.8886 300.3949 -46.8225 -14.3300 558076.1818 7.1044 7.2279 PRESSURE: 4983800 -108.878 -202.811 -59.3761 -202.811 358.663 10.7616 -59.3762 10.7605 150.386 GPRESSURE: 4983800 -13.7882 -117.053 0.557206 -285.699 347.269 12.0688 -161.29 4.01638 154.56 PRESSAVG: 4983800 1.53123 -50.0082 -13.7461 -50.0082 54.6754 -22.8187 -13.7461 -22.8186 -16.0768 GPRESSAVG: 4983800 0.776054 -53.0545 -12.1907 -47.1917 54.4781 -23.6192 -14.1284 -21.4893 -14.7925 TIMING: 4983800 CPU: 14432.2, 0.00291704/step Wall: 14432.2, 0.00291704/step, 0.0131267 hours remaining, 215.433594 MB of memory in use. ENERGY: 4983800 769.0330 2110.7280 1941.9387 98.9352 -205933.2917 18019.0590 0.0000 0.0000 34552.7862 -148440.8117 301.7581 -182993.5979 -148350.6554 301.2065 133.3903 162.6802 557990.8600 13.3766 13.4872 PRESSURE: 4984000 -197.168 190.997 -107.816 190.997 -142.035 17.1302 -107.817 17.1309 -93.878 GPRESSURE: 4984000 -185.964 228.451 -69.8182 140.34 -125.654 -11.829 -147.008 24.094 -32.5958 PRESSAVG: 4984000 14.1065 9.08796 -46.044 9.08798 6.80293 53.2541 -46.0441 53.2543 -37.238 GPRESSAVG: 4984000 13.9441 12.7978 -46.8163 8.20171 8.6363 54.1767 -44.9172 52.9783 -39.3672 TIMING: 4984000 CPU: 14432.8, 0.00290133/step Wall: 14432.8, 0.00290133/step, 0.0128948 hours remaining, 215.433594 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: 4984000 753.8147 2121.8156 1943.2654 120.5064 -205362.1244 17455.6737 0.0000 0.0000 34528.1758 -148438.8727 301.5431 -182967.0485 -148336.5713 301.3264 -144.3604 -114.7378 558402.1477 -5.4428 -5.5956 PRESSURE: 4984200 -256.405 71.8039 -4.13076 71.8029 -302.66 112.643 -4.13147 112.644 -89.4615 GPRESSURE: 4984200 -210.114 69.8755 43.2817 -13.0076 -280.238 25.1388 -2.83189 77.5838 -68.2536 PRESSAVG: 4984200 -15.4123 56.4369 -41.5763 56.437 19.5102 48.0648 -41.5762 48.0648 5.55076 GPRESSAVG: 4984200 -15.0928 53.8459 -40.9821 56.3836 17.4785 47.5251 -41.3046 47.9322 7.31575 TIMING: 4984200 CPU: 14433.4, 0.00293454/step Wall: 14433.4, 0.00293454/step, 0.0128794 hours remaining, 215.433594 MB of memory in use. ENERGY: 4984200 744.1891 2141.6459 1944.1132 110.4988 -205455.4810 17385.1650 0.0000 0.0000 34421.2458 -148708.6232 300.6093 -183129.8689 -148614.5180 300.8680 -216.1756 -186.2019 557877.7599 3.2162 3.2338 LDB: ============= START OF LOAD BALANCING ============== 14436.8 LDB: ============== END OF LOAD BALANCING =============== 14436.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14436.8 LDB: ============= START OF LOAD BALANCING ============== 14437 LDB: Largest compute 4773 load 0.029713 is 25.2% of average load 0.117978 LDB: Average compute 0.001739 is 1.5% of average load 0.117978 LDB: TIME 14437 LOAD: AVG 0.117978 MAX 0.178378 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.312 MB LDB: TIME 14437 LOAD: AVG 0.117978 MAX 0.178378 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.312 MB LDB: TIME 14437 LOAD: AVG 0.117978 MAX 0.178378 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14437 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14437.1 PRESSURE: 4984400 53.4494 -205.354 84.7312 -205.354 155.563 138.316 84.7318 138.315 -225.712 GPRESSURE: 4984400 72.5088 -156.999 52.6337 -148.715 191.655 70.1162 84.2097 149.791 -182.698 PRESSAVG: 4984400 43.2352 -15.7793 52.2071 -15.7794 -37.1429 -15.3893 52.2072 -15.3891 -38.5698 GPRESSAVG: 4984400 43.4073 -13.0604 52.1529 -16.5861 -37.5294 -14.0611 52.2657 -14.2494 -38.4103 TIMING: 4984400 CPU: 14434, 0.0029746/step Wall: 14434, 0.0029746/step, 0.0128899 hours remaining, 211.312500 MB of memory in use. ENERGY: 4984400 720.9206 2162.1929 1948.2286 111.7180 -206116.6145 17824.9805 0.0000 0.0000 34520.9768 -148827.5971 301.4803 -183348.5739 -148728.7584 300.8117 -5.5666 27.1554 557772.1903 -10.8258 -10.8441 PRESSURE: 4984600 88.1947 2.07496 43.4987 2.07455 -95.7613 62.6958 43.4987 62.6955 73.8217 GPRESSURE: 4984600 95.143 65.3133 11.3997 -46.4692 1.17899 -1.58191 58.3057 96.2046 50.8585 PRESSAVG: 4984600 32.6428 -30.9971 50.4241 -30.9971 -1.58769 23.4932 50.4242 23.4932 -38.4594 GPRESSAVG: 4984600 33.3683 -32.5659 49.5994 -29.7093 -1.89209 22.3938 49.7467 22.0758 -38.5563 TIMING: 4984600 CPU: 14434.5, 0.00289321/step Wall: 14434.5, 0.00289321/step, 0.0123765 hours remaining, 211.554688 MB of memory in use. ENERGY: 4984600 788.5597 2142.7187 1960.8780 103.4718 -205882.2080 17783.3451 0.0000 0.0000 33994.8266 -149108.4080 296.8853 -183103.2347 -149011.0638 300.7535 22.0851 49.0602 557824.5432 -2.4681 -2.3600 PRESSURE: 4984800 -32.9825 77.0178 77.2437 77.0176 -221.533 10.1682 77.2437 10.1675 300.971 GPRESSURE: 4984800 -23.624 79.0283 31.1653 136.276 -164.221 18.6473 85.4202 -124.957 325.455 PRESSAVG: 4984800 -26.2772 -10.1794 65.0601 -10.1794 5.65224 81.3482 65.0602 81.3482 29.6854 GPRESSAVG: 4984800 -27.6932 -11.3828 65.064 -7.84331 7.08766 82.9958 66.5271 79.6101 29.893 TIMING: 4984800 CPU: 14435.1, 0.00289125/step Wall: 14435.1, 0.00289125/step, 0.0122075 hours remaining, 211.808594 MB of memory in use. ENERGY: 4984800 751.6924 2113.4863 1945.5170 121.9491 -205775.2866 17704.8152 0.0000 0.0000 34172.1575 -148965.6691 298.4340 -183137.8266 -148875.9084 299.5013 15.4851 45.8700 557684.8180 3.0202 3.0958 PRESSURE: 4985000 -174.329 -3.19135 11.1191 -3.19128 -83.6045 -169.339 11.1179 -169.34 -147.922 GPRESSURE: 4985000 -97.1851 38.7203 -23.5879 -40.2021 -108.518 -167.344 2.30983 -150.205 -96.8431 PRESSAVG: 4985000 -22.7308 26.2137 -18.3276 26.2136 35.7986 -13.58 -18.3276 -13.58 -6.36778 GPRESSAVG: 4985000 -22.6538 26.9487 -18.3647 27.4104 35.1763 -15.3184 -19.3991 -10.4395 -5.79049 TIMING: 4985000 CPU: 14435.7, 0.00290553/step Wall: 14435.7, 0.00290553/step, 0.0121064 hours remaining, 211.808594 MB of memory in use. ENERGY: 4985000 756.9546 2061.0209 1948.7205 105.6078 -205893.4069 17512.5850 0.0000 0.0000 34516.1775 -148992.3406 301.4384 -183508.5181 -148890.6718 299.8089 -135.2854 -100.8488 557657.6159 2.2333 2.2440 PRESSURE: 4985200 57.3419 -38.3245 -153.583 -38.3241 -160.082 116.371 -153.583 116.372 67.8662 GPRESSURE: 4985200 87.4916 -103.274 -76.9222 -18.7938 -127.864 76.8752 -70.4641 113.015 101.014 PRESSAVG: 4985200 -39.2586 20.7986 -14.54 20.7987 -14.0858 5.195 -14.54 5.19496 11.6543 GPRESSAVG: 4985200 -39.0255 22.4424 -13.5891 16.4858 -13.6458 3.12238 -14.0184 4.6311 11.5064 TIMING: 4985200 CPU: 14436.3, 0.00292486/step Wall: 14436.3, 0.00292486/step, 0.0120244 hours remaining, 211.808594 MB of memory in use. ENERGY: 4985200 788.8972 2067.1137 1953.4043 103.6895 -205867.2879 17675.7430 0.0000 0.0000 34408.6666 -148869.7735 300.4994 -183278.4401 -148770.8954 299.8203 -11.6246 20.2142 556906.9205 -13.8967 -13.7216 PRESSURE: 4985400 102.901 -89.3215 32.657 -89.3214 -125.381 -122.221 32.6558 -122.221 -71.8939 GPRESSURE: 4985400 112.913 -105.734 63.1847 -21.8163 -44.4888 -218.856 33.676 -23.9105 -72.5727 PRESSAVG: 4985400 15.3024 5.38267 34.6324 5.38268 27.9029 47.2474 34.6323 47.2474 -69.3401 GPRESSAVG: 4985400 16.3908 5.10485 35.2361 5.4581 27.2854 50.5467 36.0177 48.0799 -69.7639 TIMING: 4985400 CPU: 14436.9, 0.00290239/step Wall: 14436.9, 0.00290239/step, 0.0117708 hours remaining, 211.808594 MB of memory in use. ENERGY: 4985400 769.2851 2099.6006 1962.9203 118.4827 -205767.4445 17736.5811 0.0000 0.0000 34191.0961 -148889.4785 298.5993 -183080.5746 -148797.9818 300.2882 -31.4582 -1.3828 557612.2905 -8.7116 -8.6959 PRESSURE: 4985600 100.947 52.9136 -37.7678 52.913 42.833 -274.02 -37.7676 -274.02 154.975 GPRESSURE: 4985600 91.3236 74.8247 -60.7012 -11.2933 66.1079 -292.664 51.7148 -269.668 241.593 PRESSAVG: 4985600 39.9993 -17.2003 6.92638 -17.2003 -33.2893 -53.2845 6.92637 -53.2844 18.1739 GPRESSAVG: 4985600 38.7375 -15.3045 4.54211 -17.5601 -32.9335 -54.3515 6.82953 -55.9 18.5185 TIMING: 4985600 CPU: 14437.4, 0.00290671/step Wall: 14437.4, 0.00290671/step, 0.0116269 hours remaining, 211.808594 MB of memory in use. ENERGY: 4985600 750.2283 2095.2522 1953.0123 105.8546 -206235.0646 17938.9430 0.0000 0.0000 34281.6462 -149110.1281 299.3901 -183391.7743 -149008.5685 300.4063 99.5852 133.0083 557601.6629 8.2946 8.1075 PRESSURE: 4985800 108.255 165.757 -28.831 165.758 -340.83 -59.1738 -28.8296 -59.1723 65.5446 GPRESSURE: 4985800 60.6486 129.271 -27.8628 108.105 -203.413 -72.2037 1.88553 -3.45322 86.1553 PRESSAVG: 4985800 -29.1159 2.58302 -10.2934 2.58301 8.86402 -25.1753 -10.2932 -25.1754 6.39275 GPRESSAVG: 4985800 -29.4913 -1.0791 -10.2005 3.29518 8.51145 -24.0645 -12.4849 -25.165 7.71488 TIMING: 4985800 CPU: 14438, 0.0028945/step Wall: 14438, 0.0028945/step, 0.0114172 hours remaining, 211.808594 MB of memory in use. ENERGY: 4985800 742.8426 2080.5624 1965.1484 124.2559 -206201.6493 17816.6006 0.0000 0.0000 34309.9356 -149162.3038 299.6372 -183472.2394 -149060.0155 299.5441 -55.6766 -18.8697 557239.9781 -4.6197 -4.4217 PRESSURE: 4986000 -19.1948 78.6319 152.56 78.6317 -280.495 -175.766 152.559 -175.765 -121.066 GPRESSURE: 4986000 24.9436 23.5318 55.7109 153.461 -256.377 -218.024 268.595 -143.921 -89.0102 PRESSAVG: 4986000 8.36066 33.9054 -12.0053 33.9055 -21.2299 -49.4726 -12.0053 -49.4725 21.1729 GPRESSAVG: 4986000 8.01215 34.1088 -10.9707 34.289 -19.8311 -50.645 -12.1334 -47.3571 20.1768 TIMING: 4986000 CPU: 14438.6, 0.00292345/step Wall: 14438.6, 0.00292344/step, 0.011369 hours remaining, 211.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4986000 738.6836 2067.7307 1959.1151 116.8513 -205848.4215 17500.6421 0.0000 0.0000 34235.6585 -149229.7403 298.9885 -183465.3988 -149130.0666 299.1664 -140.2517 -106.8144 558980.8357 2.7679 2.7860 PRESSURE: 4986200 -24.4956 -7.91829 -54.8876 -7.91747 50.0061 -64.2325 -54.8889 -64.2332 -283.631 GPRESSURE: 4986200 -42.6581 42.8325 -61.9375 -80.2334 135.695 -33.4208 48.9829 -33.6941 -250.003 PRESSAVG: 4986200 21.7945 0.0826297 22.8137 0.0826973 -20.9855 -30.5088 22.8137 -30.5088 -28.5964 GPRESSAVG: 4986200 21.2745 1.88819 23.8948 -2.21571 -21.4635 -29.5689 22.1259 -31.4285 -27.3678 TIMING: 4986200 CPU: 14439.2, 0.00292759/step Wall: 14439.2, 0.00292759/step, 0.0112224 hours remaining, 211.808594 MB of memory in use. ENERGY: 4986200 741.9363 2044.8562 1954.1614 101.0802 -206121.5209 17705.1477 0.0000 0.0000 34285.5690 -149288.7700 299.4244 -183574.3390 -149195.1964 298.3980 -86.0403 -52.3221 557914.7802 -9.2625 -9.1856 PRESSURE: 4986400 75.2171 -52.9128 38.542 -52.9121 -31.8959 154.162 38.5442 154.162 219.473 GPRESSURE: 4986400 84.8078 -138.132 47.1389 -12.8568 17.6085 92.6506 90.4964 165.826 266.637 PRESSAVG: 4986400 -1.54849 -45.5666 37.7706 -45.5667 -7.8004 24.9903 37.7707 24.9904 -12.2948 GPRESSAVG: 4986400 -0.651675 -47.3555 38.1187 -43.589 -7.72495 22.118 38.2235 24.206 -12.9456 TIMING: 4986400 CPU: 14439.8, 0.00290789/step Wall: 14439.8, 0.00290789/step, 0.0109854 hours remaining, 211.808594 MB of memory in use. ENERGY: 4986400 760.6904 2120.3955 1919.5802 112.8973 -206315.5624 17985.2515 0.0000 0.0000 34149.5004 -149267.2471 298.2361 -183416.7475 -149170.2231 298.6251 87.5980 123.0176 556486.7905 -7.2146 -7.1074 PRESSURE: 4986600 227.232 -114.278 162.884 -114.278 81.1489 106.704 162.884 106.703 90.7949 GPRESSURE: 4986600 234.045 -182.628 34.2693 -32.9825 102.257 79.4838 53.4927 72.7423 165.35 PRESSAVG: 4986600 -0.117687 16.8891 -23.9201 16.889 51.2699 10.9951 -23.92 10.9951 -5.89956 GPRESSAVG: 4986600 1.29204 14.6733 -25.2443 17.8615 50.6458 12.2528 -23.3326 11.1009 -6.19457 TIMING: 4986600 CPU: 14440.4, 0.00291649/step Wall: 14440.4, 0.00291649/step, 0.0108558 hours remaining, 211.808594 MB of memory in use. ENERGY: 4986600 755.2410 2099.8001 1963.3863 113.1231 -206286.5745 17990.1587 0.0000 0.0000 34157.3068 -149207.5585 298.3043 -183364.8653 -149115.7675 298.5184 133.0586 167.2171 557434.0059 15.0842 15.2478 PRESSURE: 4986800 332.275 -23.4291 -187.585 -23.4294 -43.9672 56.4537 -187.586 56.454 -86.9973 GPRESSURE: 4986800 396.141 -104.031 -188.201 -66.3121 -42.7324 83.1557 -253.625 33.2435 -46.195 PRESSAVG: 4986800 101.233 19.0192 14.3411 19.0192 -61.0825 51.3374 14.3411 51.3372 -42.8598 GPRESSAVG: 4986800 100.222 22.3491 12.9371 15.9337 -61.803 52.2416 15.0052 52.0203 -41.4334 TIMING: 4986800 CPU: 14440.9, 0.00291042/step Wall: 14440.9, 0.00291042/step, 0.0106715 hours remaining, 211.808594 MB of memory in use. ENERGY: 4986800 730.3179 2018.1896 1951.0123 104.1750 -206311.1987 17958.9487 0.0000 0.0000 34310.7251 -149237.8302 299.6441 -183548.5553 -149134.3430 298.4753 67.1036 102.4045 557650.8426 -0.9033 -1.0049 PRESSURE: 4987000 -352.182 -26.963 53.6685 -26.9627 -30.0172 74.5915 53.6696 74.5913 -350.625 GPRESSURE: 4987000 -334.857 -87.3945 63.2604 -17.1557 10.1382 118.8 15.4764 -1.21128 -312.061 PRESSAVG: 4987000 62.8438 -16.5447 -34.0026 -16.5447 10.8659 38.6215 -34.0026 38.6216 -40.6558 GPRESSAVG: 4987000 60.6493 -18.0624 -34.4285 -15.6187 13.1367 39.0756 -34.5115 37.7203 -41.4273 TIMING: 4987000 CPU: 14441.5, 0.00292079/step Wall: 14441.5, 0.00292079/step, 0.0105473 hours remaining, 211.875000 MB of memory in use. ENERGY: 4987000 750.5482 2100.2292 1932.2126 109.3513 -206048.2032 17673.0414 0.0000 0.0000 34179.9940 -149302.8266 298.5024 -183482.8205 -149207.9136 299.2414 -244.2747 -212.2598 557296.3323 11.0180 10.7863 PRESSURE: 4987200 13.829 -13.5813 -46.5114 -13.5806 243.655 -215.944 -46.5103 -215.944 -67.2856 GPRESSURE: 4987200 55.4555 -25.3485 -20.0627 32.1929 257.594 -283.494 30.8992 -182.006 -18.9642 PRESSAVG: 4987200 41.7401 39.3947 -23.8582 39.3948 2.10964 25.9262 -23.8583 25.9262 -29.4547 GPRESSAVG: 4987200 42.1972 39.2341 -21.6263 40.1211 0.884786 24.6537 -22.5986 27.4251 -28.8737 TIMING: 4987200 CPU: 14442.1, 0.00289947/step Wall: 14442.1, 0.00289947/step, 0.0103092 hours remaining, 211.875000 MB of memory in use. ENERGY: 4987200 722.4232 2097.9761 1932.5881 107.1202 -206210.9522 17865.6542 0.0000 0.0000 34095.2876 -149389.9028 297.7626 -183485.1904 -149292.9855 298.8547 63.3993 98.0283 557317.9540 4.7983 4.7361 PRESSURE: 4987400 160.376 70.2921 -26.6619 70.2921 24.8337 -25.4254 -26.6632 -25.4259 82.9117 GPRESSURE: 4987400 220.357 31.8432 -46.1425 89.1968 28.9264 -53.1724 53.0963 14.834 119.818 PRESSAVG: 4987400 80.7092 -25.7764 70.4231 -25.7763 48.9901 -12.3464 70.4231 -12.3464 -152.36 GPRESSAVG: 4987400 82.299 -26.7305 68.4748 -27.1446 47.8013 -9.63914 71.4712 -13.7986 -152.177 TIMING: 4987400 CPU: 14442.7, 0.00290072/step Wall: 14442.7, 0.00290072/step, 0.0101525 hours remaining, 211.875000 MB of memory in use. ENERGY: 4987400 747.9859 2052.9421 1923.0124 106.4242 -206614.3398 18087.8898 0.0000 0.0000 34315.1643 -149380.9210 299.6829 -183696.0853 -149281.7607 298.9682 89.3737 123.0338 556988.7682 -7.5535 -7.3588 PRESSURE: 4987600 -112.618 5.88468 127.904 5.88528 92.2781 30.231 127.904 30.2327 69.2728 GPRESSURE: 4987600 -25.2033 2.40103 185.226 3.87619 107.079 -47.1114 120.013 169.938 75.4672 PRESSAVG: 4987600 -31.0025 29.6882 78.4401 29.6883 5.41396 10.5205 78.4401 10.5204 20.4179 GPRESSAVG: 4987600 -30.2752 29.9348 80.2117 31.5311 6.07717 7.40859 75.365 14.3464 19.3073 TIMING: 4987600 CPU: 14443.3, 0.00288943/step Wall: 14443.3, 0.00288943/step, 0.00995249 hours remaining, 211.875000 MB of memory in use. ENERGY: 4987600 738.6522 2046.1324 1958.8933 123.9225 -206465.8961 18047.2890 0.0000 0.0000 34166.2600 -149384.7467 298.3824 -183551.0067 -149296.1229 298.3890 16.3108 52.4476 558271.3074 -1.7236 -1.6302 PRESSURE: 4987800 22.2032 4.08656 128.548 4.08713 187.432 22.3413 128.548 22.3408 75.2734 GPRESSURE: 4987800 67.0511 -72.1895 227.447 -43.5832 194.959 -14.7397 12.9402 88.3435 120.035 PRESSAVG: 4987800 -25.4809 2.91387 32.012 2.91385 23.8199 -4.14101 32.012 -4.14106 12.3178 GPRESSAVG: 4987800 -27.3198 3.6655 31.3223 0.22845 24.439 -3.25084 31.7702 -4.92104 13.8553 TIMING: 4987800 CPU: 14443.8, 0.00291902/step Wall: 14443.8, 0.00291902/step, 0.00989224 hours remaining, 211.875000 MB of memory in use. ENERGY: 4987800 716.9256 2035.7021 1959.3316 98.5395 -206240.1114 17921.0634 0.0000 0.0000 34323.1516 -149185.3976 299.7526 -183508.5492 -149079.7434 299.9376 94.9696 127.3484 558758.6456 3.5523 3.6582 PRESSURE: 4988000 -247.215 -83.639 -93.4675 -83.6393 -428.658 16.558 -93.4677 16.5595 -116.921 GPRESSURE: 4988000 -211.227 -92.1512 2.09099 -98.1905 -371.935 3.22192 -15.6916 91.0628 -114.304 PRESSAVG: 4988000 72.689 -22.5151 17.3447 -22.515 -32.9181 23.6524 17.3447 23.6523 -37.5346 GPRESSAVG: 4988000 74.0631 -23.3306 18.1377 -21.2888 -33.3605 22.8816 19.7626 23.4437 -38.8489 TIMING: 4988000 CPU: 14444.4, 0.00293756/step Wall: 14444.4, 0.00293756/step, 0.00979188 hours remaining, 211.875000 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: 4988000 782.9026 2001.4174 1950.4862 103.7464 -205497.9463 17413.3899 0.0000 0.0000 34178.2344 -149067.7693 298.4870 -183246.0037 -148975.6822 299.7958 -264.2647 -232.4886 559067.7428 0.7454 0.6179 PRESSURE: 4988200 -50.2928 -0.891367 -6.39657 -0.891078 173.825 61.0681 -6.39549 61.0669 56.1393 GPRESSURE: 4988200 -32.2617 -48.8794 -79.823 72.0623 253.717 62.7767 28.5553 34.8604 50.9005 PRESSAVG: 4988200 -24.1155 28.3084 29.8313 28.3085 -0.0205389 -3.96098 29.8313 -3.96097 23.5735 GPRESSAVG: 4988200 -25.5398 27.1249 29.0644 30.2848 1.94612 -2.36794 28.2581 -5.36954 22.7888 TIMING: 4988200 CPU: 14445, 0.00291252/step Wall: 14445, 0.00291252/step, 0.0095466 hours remaining, 211.875000 MB of memory in use. ENERGY: 4988200 731.4246 2132.8749 1960.7727 113.5545 -205943.5679 17799.1287 0.0000 0.0000 34230.2044 -148975.6082 298.9409 -183205.8125 -148878.8374 299.6607 59.8905 90.7852 557815.6103 -0.1875 -0.2683 LDB: ============= START OF LOAD BALANCING ============== 14448.4 LDB: ============== END OF LOAD BALANCING =============== 14448.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14448.4 LDB: ============= START OF LOAD BALANCING ============== 14448.7 LDB: Largest compute 4773 load 0.032261 is 27.4% of average load 0.117932 LDB: Average compute 0.001739 is 1.5% of average load 0.117932 LDB: TIME 14448.7 LOAD: AVG 0.117932 MAX 0.178469 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 213.301 MB LDB: TIME 14448.7 LOAD: AVG 0.117932 MAX 0.178469 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.301 MB LDB: TIME 14448.7 LOAD: AVG 0.117932 MAX 0.178469 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 213.301 MB LDB: ============== END OF LOAD BALANCING =============== 14448.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14448.7 PRESSURE: 4988400 -439.978 29.8725 92.7698 29.8728 -225.264 41.5966 92.7692 41.5965 88.697 GPRESSURE: 4988400 -407.721 -70.8157 108.73 57.4919 -220.08 165.103 -2.44374 -50.2696 131.935 PRESSAVG: 4988400 -52.2331 11.0664 8.27294 11.0663 -50.0922 58.0014 8.27295 58.0014 75.8421 GPRESSAVG: 4988400 -51.7452 12.6946 8.36064 11.025 -51.3335 57.0805 8.34467 59.429 76.9534 TIMING: 4988400 CPU: 14445.6, 0.0029584/step Wall: 14445.6, 0.0029584/step, 0.00953263 hours remaining, 212.023438 MB of memory in use. ENERGY: 4988400 772.8993 2064.9397 1963.2698 121.5792 -206259.2959 17798.3888 0.0000 0.0000 34484.6968 -149053.5223 301.1634 -183538.2192 -148963.2588 300.1562 -192.1817 -165.2889 557843.2782 -8.8277 -8.7084 PRESSURE: 4988600 3.12113 8.6172 135.018 8.61622 -53.633 -66.4374 135.018 -66.437 -198.245 GPRESSURE: 4988600 -24.7065 16.3923 55.1013 43.1747 -47.2115 -7.90466 116.468 -73.3111 -77.0996 PRESSAVG: 4988600 -6.37899 -18.2226 34.8179 -18.2227 -55.3138 -41.4309 34.8181 -41.4309 35.1222 GPRESSAVG: 4988600 -6.42053 -18.74 36.6068 -20.0693 -54.421 -41.2849 33.5402 -40.6905 33.8078 TIMING: 4988600 CPU: 14446.2, 0.00292138/step Wall: 14446.2, 0.00292138/step, 0.00925103 hours remaining, 212.226562 MB of memory in use. ENERGY: 4988600 770.2127 2031.6272 1989.7793 123.0240 -205902.9386 17611.1974 0.0000 0.0000 34377.1883 -148999.9098 300.2245 -183377.0981 -148911.5446 299.7973 -82.9191 -49.6725 556993.5691 -8.8569 -9.0113 PRESSURE: 4988800 121.733 -58.7501 -64.2842 -58.7497 9.37186 -157.833 -64.2831 -157.834 155.365 GPRESSURE: 4988800 219.639 -54.2912 -115.418 -30.8132 65.1727 -159.365 -4.28949 -119.457 105.326 PRESSAVG: 4988800 67.5048 -27.0487 -35.2531 -27.0488 23.1985 -27.5219 -35.2531 -27.522 -60.0773 GPRESSAVG: 4988800 67.4859 -26.2072 -36.3611 -25.7063 22.4809 -27.4474 -34.3217 -28.1927 -59.4523 TIMING: 4988800 CPU: 14446.8, 0.00293956/step Wall: 14446.8, 0.00293956/step, 0.0091453 hours remaining, 212.226562 MB of memory in use. ENERGY: 4988800 698.7100 2039.7947 1944.1327 101.7252 -205817.9529 17735.7132 0.0000 0.0000 34411.7069 -148886.1703 300.5260 -183297.8772 -148783.9689 300.0220 95.4899 130.0461 558853.9962 10.2087 10.1715 PRESSURE: 4989000 -177.463 8.27191 -23.161 8.27256 -231.231 -79.1833 -23.1614 -79.1835 28.113 GPRESSURE: 4989000 -129.498 -19.4722 -46.3909 -44.3856 -215.387 -5.82133 -28.7451 -51.1489 57.9536 PRESSAVG: 4989000 21.897 -0.8195 42.4639 -0.819474 -48.5146 -31.5926 42.4638 -31.5926 0.46793 GPRESSAVG: 4989000 21.9865 -0.461942 40.0563 -1.3793 -47.8952 -30.8679 42.2775 -30.8978 0.309226 TIMING: 4989000 CPU: 14447.4, 0.00290764/step Wall: 14447.4, 0.00290764/step, 0.00888445 hours remaining, 212.226562 MB of memory in use. ENERGY: 4989000 728.7285 2075.1248 1960.6205 118.9770 -205834.6150 17686.2584 0.0000 0.0000 34257.8928 -149007.0130 299.1827 -183264.9058 -148904.3869 300.2638 -126.8604 -95.6439 559095.8313 -8.7166 -8.5332 PRESSURE: 4989200 -144.97 21.8172 89.1993 21.8174 -389.018 91.2785 89.2006 91.2777 220.524 GPRESSURE: 4989200 -140.467 9.22288 -27.4155 48.7363 -310.161 115.827 121.317 52.8355 230.717 PRESSAVG: 4989200 -16.1431 -6.36429 -40.0693 -6.36425 -13.1511 -43.6782 -40.0692 -43.6783 30.1154 GPRESSAVG: 4989200 -15.5467 -6.90919 -39.1561 -4.80617 -13.6515 -43.936 -40.687 -45.1393 29.5574 TIMING: 4989200 CPU: 14447.9, 0.00291053/step Wall: 14447.9, 0.00291053/step, 0.00873159 hours remaining, 212.226562 MB of memory in use. ENERGY: 4989200 728.0844 2045.7440 1954.0257 97.9102 -205666.5439 17515.6805 0.0000 0.0000 34348.5354 -148976.5637 299.9743 -183325.0991 -148880.3622 300.1223 -104.4879 -73.3038 558593.5688 0.2737 0.1197 PRESSURE: 4989400 7.26234 -6.38482 5.08468 -6.38554 -26.4703 -101.662 5.0854 -101.662 -22.5245 GPRESSURE: 4989400 3.86374 -28.1069 96.8902 -29.4166 23.5747 -58.8513 -67.0603 -12.2077 34.0843 PRESSAVG: 4989400 -1.5062 -18.1374 -24.4887 -18.1374 29.1809 12.3021 -24.4887 12.3021 -24.8012 GPRESSAVG: 4989400 -1.94741 -17.27 -22.2388 -19.6088 27.9279 15.4429 -23.7869 11.3248 -23.3198 TIMING: 4989400 CPU: 14448.5, 0.00295313/step Wall: 14448.5, 0.00295313/step, 0.00869532 hours remaining, 212.226562 MB of memory in use. ENERGY: 4989400 739.2897 2064.6449 1955.2974 98.6133 -206176.0443 17797.3662 0.0000 0.0000 34551.8752 -148968.9576 301.7501 -183520.8328 -148874.6542 300.0294 -13.9108 20.5076 556798.7930 0.9578 0.8869 PRESSURE: 4989600 9.64814 -0.132073 108.703 -0.131847 -77.6779 60.9659 108.703 60.9645 3.73154 GPRESSURE: 4989600 19.9868 5.27789 84.6879 -8.83333 -60.3709 -29.4495 183.417 121.423 71.4137 PRESSAVG: 4989600 -51.084 20.0391 8.78055 20.039 20.8641 25.165 8.78052 25.165 13.5744 GPRESSAVG: 4989600 -51.9135 19.478 7.26189 20.7267 23.0004 22.6193 10.1744 25.1035 11.4428 TIMING: 4989600 CPU: 14449.1, 0.00292928/step Wall: 14449.1, 0.00292928/step, 0.00846235 hours remaining, 212.226562 MB of memory in use. ENERGY: 4989600 759.8853 2026.7340 1961.9980 132.4082 -205896.4832 17728.5562 0.0000 0.0000 34378.2325 -148908.6691 300.2337 -183286.9016 -148804.9714 300.7231 -21.4327 10.3432 558293.1072 -5.5485 -5.8234 PRESSURE: 4989800 265.697 63.4938 -142.559 63.4942 74.0486 34.4317 -142.559 34.433 45.7699 GPRESSURE: 4989800 303.499 127.218 -62.2329 32.8954 85.5517 36.6829 -76.3151 30.951 100.298 PRESSAVG: 4989800 14.4607 -30.5058 23.4433 -30.5057 -6.96332 -21.7684 23.4433 -21.7683 10.912 GPRESSAVG: 4989800 14.0025 -29.7036 24.4161 -30.8655 -8.79919 -22.1493 22.4397 -21.6722 12.7054 TIMING: 4989800 CPU: 14449.7, 0.00294593/step Wall: 14449.7, 0.00294593/step, 0.0083468 hours remaining, 212.226562 MB of memory in use. ENERGY: 4989800 740.2782 2081.6547 1968.3063 125.3193 -205984.0181 17810.1231 0.0000 0.0000 34444.2337 -148814.1027 300.8101 -183258.3364 -148723.2679 300.6467 128.5051 163.1163 557748.3174 6.1365 5.9696 PRESSURE: 4990000 -143.494 9.36806 -85.5417 9.3683 99.7399 137.271 -85.5411 137.272 263.183 GPRESSURE: 4990000 -97.9824 60.9043 -187.657 -22.2214 123.928 129.551 -2.86052 109.176 284.713 PRESSAVG: 4990000 -39.5635 -67.2891 1.42296 -67.2891 -71.3853 -19.8193 1.42293 -19.8194 97.3142 GPRESSAVG: 4990000 -38.9622 -68.5221 -0.325823 -66.3593 -72.936 -19.8198 1.56864 -20.7652 97.7648 TIMING: 4990000 CPU: 14450.3, 0.00293131/step Wall: 14450.3, 0.00293131/step, 0.00814252 hours remaining, 212.226562 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: 4990000 724.0062 2121.6547 1951.1922 123.6252 -205860.7152 17849.9621 0.0000 0.0000 34021.0583 -149069.2165 297.1144 -183090.2748 -148971.9194 300.1385 73.1432 103.5531 559195.1823 -4.5449 -4.7112 PRESSURE: 4990200 163.899 57.0049 -133.47 57.0054 -185.504 -11.6266 -133.47 -11.6272 52.2589 GPRESSURE: 4990200 140.468 35.9016 -130.755 154.56 -100.061 -21.4236 -175.093 46.0712 87.3101 PRESSAVG: 4990200 64.2487 -17.8371 45.6654 -17.837 -18.7926 -32.9766 45.6654 -32.9766 -12.9448 GPRESSAVG: 4990200 63.6945 -19.3424 46.3798 -17.0318 -17.2325 -34.2737 43.9393 -31.1673 -14.4432 TIMING: 4990200 CPU: 14450.9, 0.00291344/step Wall: 14450.9, 0.00291344/step, 0.00793104 hours remaining, 212.226562 MB of memory in use. ENERGY: 4990200 739.0420 2087.2738 1924.5974 114.0857 -206348.9898 17923.2229 0.0000 0.0000 34371.4352 -149189.3328 300.1743 -183560.7680 -149090.1742 299.4658 10.2180 42.5723 557823.7344 10.8371 10.6729 PRESSURE: 4990400 -214.373 -91.2416 -64.1888 -91.2413 95.0737 84.3233 -64.1888 84.3232 107.099 GPRESSURE: 4990400 -140.773 -78.4139 -53.5711 -91.4949 89.0322 42.2191 -47.1343 62.1889 125.915 PRESSAVG: 4990400 -48.1182 -30.5636 -69.2854 -30.5637 -24.5294 -30.3113 -69.2853 -30.3113 65.7371 GPRESSAVG: 4990400 -48.4728 -28.0056 -68.7263 -32.0775 -25.025 -32.0689 -68.8705 -28.1694 66.3851 TIMING: 4990400 CPU: 14451.5, 0.00293699/step Wall: 14451.5, 0.00293699/step, 0.00783198 hours remaining, 212.226562 MB of memory in use. ENERGY: 4990400 724.3321 2096.5223 1938.4259 110.6284 -206044.2651 17788.6168 0.0000 0.0000 34239.3781 -149146.3614 299.0210 -183385.7395 -149042.4275 299.3165 -4.0666 24.7245 558370.0049 -2.3035 -2.3709 PRESSURE: 4990600 -314.094 0.532212 -41.821 0.53536 -229.012 -27.6828 -41.8199 -27.6823 -25.0058 GPRESSURE: 4990600 -273.267 75.7781 -96.6387 -59.8132 -210.538 -84.1855 -8.53719 60.9016 11.2352 PRESSAVG: 4990600 1.49189 25.0784 -56.5015 25.0784 -54.5598 -16.4993 -56.5015 -16.4993 49.6321 GPRESSAVG: 4990600 2.07584 25.6452 -56.6391 24.1454 -55.2578 -11.5975 -55.8883 -20.2633 50.1614 TIMING: 4990600 CPU: 14452, 0.00292862/step Wall: 14452, 0.00292862/step, 0.00764695 hours remaining, 212.226562 MB of memory in use. ENERGY: 4990600 769.1174 2150.1687 1971.1311 113.8519 -205580.8236 17467.9043 0.0000 0.0000 34125.7972 -148982.8530 298.0291 -183108.6502 -148885.7672 300.0061 -189.3707 -157.5234 557318.6135 -1.1453 -1.0068 PRESSURE: 4990800 -66.2234 -144.701 99.4048 -144.701 -4.93934 -50.2774 99.4053 -50.2771 -25.7244 GPRESSURE: 4990800 -63.8167 -90.0203 32.9329 -219.295 17.6034 -17.8785 71.6926 -57.4566 33.291 PRESSAVG: 4990800 42.651 -15.2658 -42.1943 -15.266 -82.0421 -16.313 -42.1943 -16.3131 41.5974 GPRESSAVG: 4990800 42.4898 -15.9312 -42.4729 -15.5142 -80.9904 -18.3885 -41.8037 -14.5737 40.4533 TIMING: 4990800 CPU: 14452.6, 0.0029138/step Wall: 14452.6, 0.0029138/step, 0.00744637 hours remaining, 212.226562 MB of memory in use. ENERGY: 4990800 723.7156 2092.1094 1974.2390 117.1903 -205982.4702 17677.0534 0.0000 0.0000 34372.0835 -149026.0790 300.1800 -183398.1624 -148920.4755 299.9263 -32.2957 -4.3074 557201.2460 0.7354 0.6509 PRESSURE: 4991000 -211.225 103.98 -69.7191 103.98 -128.288 -226.088 -69.719 -226.088 -18.4024 GPRESSURE: 4991000 -186.391 0.00723503 -24.3714 135.645 -69.119 -225.325 -65.6862 -313.207 -18.262 PRESSAVG: 4991000 30.0029 -9.53815 -42.056 -9.53809 -8.12756 6.03526 -42.056 6.0353 -12.9451 GPRESSAVG: 4991000 29.9231 -10.4492 -40.2754 -7.00835 -7.50547 4.78017 -45.1374 8.15514 -13.2696 TIMING: 4991000 CPU: 14453.2, 0.00290763/step Wall: 14453.2, 0.00290763/step, 0.00726908 hours remaining, 212.226562 MB of memory in use. ENERGY: 4991000 760.2522 2106.9586 1967.0962 121.9176 -206063.8029 17605.1996 0.0000 0.0000 34450.6673 -149051.7114 300.8662 -183502.3787 -148944.8788 299.9528 -119.3053 -91.2573 556477.9508 2.9768 3.0493 PRESSURE: 4991200 -195.185 -111.149 -142.96 -111.15 -80.8073 97.3915 -142.96 97.3901 -294.219 GPRESSURE: 4991200 -75.1859 -197.039 -113.346 -21.8725 -115.358 118.148 -179.074 68.981 -277.636 PRESSAVG: 4991200 -45.6093 4.56629 -9.62464 4.56627 18.2057 32.4845 -9.62464 32.4845 31.0392 GPRESSAVG: 4991200 -44.938 4.45835 -10.5693 2.69945 17.5579 32.5475 -7.08369 31.0355 30.4771 TIMING: 4991200 CPU: 14453.8, 0.00291038/step Wall: 14453.8, 0.00291038/step, 0.00711427 hours remaining, 212.226562 MB of memory in use. ENERGY: 4991200 759.6395 2056.3823 1958.4200 124.1499 -205647.0501 17501.4806 0.0000 0.0000 34258.8631 -148988.1146 299.1912 -183246.9777 -148897.5771 299.8233 -190.0703 -156.0599 557840.4875 1.2118 1.0323 PRESSURE: 4991400 24.1913 44.5776 -174.917 44.578 -65.1482 -28.2955 -174.918 -28.2976 -213.098 GPRESSURE: 4991400 31.9608 50.1975 -139.288 83.0928 29.2246 -34.2021 -192.028 10.1525 -204.401 PRESSAVG: 4991400 -16.6576 22.7853 -71.5092 22.7853 7.68915 49.2922 -71.5092 49.2922 55.3005 GPRESSAVG: 4991400 -16.392 22.8213 -72.1722 25.8711 7.53794 49.8772 -72.8364 50.1333 55.1961 TIMING: 4991400 CPU: 14454.4, 0.0029072/step Wall: 14454.4, 0.0029072/step, 0.00694498 hours remaining, 212.226562 MB of memory in use. ENERGY: 4991400 783.5318 2117.6463 1953.6281 126.3096 -206032.9931 17745.2397 0.0000 0.0000 34257.4930 -149049.1446 299.1792 -183306.6376 -148955.9276 299.8439 -84.6851 -47.7385 558548.1123 15.4440 15.4473 PRESSURE: 4991600 -100.904 -96.0868 -64.6126 -96.0877 -218.951 0.632243 -64.6126 0.631297 37.3401 GPRESSURE: 4991600 -71.7193 -138.407 -97.1586 -58.5575 -191.668 -55.5789 -61.6756 37.9624 73.7622 PRESSAVG: 4991600 -14.5051 16.6096 -37.2109 16.6094 29.0394 81.9135 -37.211 81.9133 -17.2828 GPRESSAVG: 4991600 -15.301 16.7834 -36.6807 14.1697 28.8315 83.0236 -36.7815 80.5715 -16.0567 TIMING: 4991600 CPU: 14455, 0.00289117/step Wall: 14455, 0.00289117/step, 0.00674605 hours remaining, 212.226562 MB of memory in use. ENERGY: 4991600 716.8833 2074.2719 1969.6905 113.1915 -205597.5249 17538.1740 0.0000 0.0000 34080.3654 -149104.9484 297.6323 -183185.3137 -149000.9743 299.9802 -94.1715 -63.2085 558471.8788 -0.9162 -0.8421 PRESSURE: 4991800 -127.871 59.1692 65.1922 59.1704 -14.5375 51.6054 65.1922 51.6051 -122.027 GPRESSURE: 4991800 -89.5781 75.3581 121.503 97.2807 30.4105 -32.1683 68.2347 160.909 -114.831 PRESSAVG: 4991800 -15.6874 1.96517 -21.0125 1.96526 -2.69374 32.2573 -21.0125 32.2574 10.7573 GPRESSAVG: 4991800 -15.3847 3.42099 -20.6576 2.4341 -2.67155 30.6303 -19.6026 31.8538 10.4687 TIMING: 4991800 CPU: 14455.5, 0.00289748/step Wall: 14455.5, 0.00289748/step, 0.00659982 hours remaining, 212.226562 MB of memory in use. ENERGY: 4991800 744.7216 2072.0756 1966.6176 123.8051 -206220.7975 17763.4257 0.0000 0.0000 34534.9745 -149015.1775 301.6025 -183550.1520 -148916.4289 299.8379 -88.1452 -57.9995 558465.3864 -2.5413 -2.5292 PRESSURE: 4992000 -332.222 16.9328 -0.562892 16.9324 -229.075 -199.834 -0.563593 -199.834 -276.183 GPRESSURE: 4992000 -279.253 73.2825 6.21961 -119.957 -205.041 -287.672 -2.90164 -145.344 -244.094 PRESSAVG: 4992000 32.677 -28.3474 -41.7955 -28.3474 -1.16774 -6.75225 -41.7955 -6.75226 -29.5837 GPRESSAVG: 4992000 31.7939 -30.2576 -44.611 -27.6756 -0.709763 -6.2654 -41.6941 -5.80569 -28.5825 TIMING: 4992000 CPU: 14456.1, 0.00291514/step Wall: 14456.1, 0.00291514/step, 0.0064781 hours remaining, 212.226562 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: 4992000 779.3514 2078.5505 1941.7033 110.6675 -205748.0107 17526.9713 0.0000 0.0000 34272.6833 -149038.0833 299.3119 -183310.7667 -148943.7798 300.1699 -279.1600 -242.7961 558959.3295 0.6419 0.8339 PRESSURE: 4992200 -99.2845 29.7872 -75.5328 29.7874 159.266 78.1593 -75.5316 78.1594 64.9238 GPRESSURE: 4992200 -77.3499 8.83177 -101.644 7.20814 190.763 17.426 1.117 103.123 116.684 PRESSAVG: 4992200 39.8105 -51.603 23.5644 -51.6029 27.2035 -28.181 23.5645 -28.181 -74.6797 GPRESSAVG: 4992200 40.1088 -53.7018 25.7092 -50.135 27.4959 -28.3075 21.0698 -28.3706 -75.1301 TIMING: 4992200 CPU: 14456.7, 0.00291017/step Wall: 14456.7, 0.00291017/step, 0.00630537 hours remaining, 212.226562 MB of memory in use. ENERGY: 4992200 723.5447 2097.3461 1920.7059 110.2121 -205962.5414 17689.5634 0.0000 0.0000 34318.2422 -149102.9270 299.7097 -183421.1692 -149003.6708 299.6792 41.6352 76.6991 556754.3805 -2.5552 -2.5085 LDB: ============= START OF LOAD BALANCING ============== 14460.1 LDB: ============== END OF LOAD BALANCING =============== 14460.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14460.1 LDB: ============= START OF LOAD BALANCING ============== 14460.4 LDB: Largest compute 4773 load 0.030925 is 26.2% of average load 0.117965 LDB: Average compute 0.001734 is 1.5% of average load 0.117965 LDB: TIME 14460.4 LOAD: AVG 0.117965 MAX 0.180174 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.512 MB LDB: TIME 14460.4 LOAD: AVG 0.117965 MAX 0.180174 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: TIME 14460.4 LOAD: AVG 0.117965 MAX 0.180174 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.512 MB LDB: ============== END OF LOAD BALANCING =============== 14460.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14460.4 PRESSURE: 4992400 -55.8937 -115.843 65.2386 -115.844 -173.166 114.612 65.2384 114.611 -171.608 GPRESSURE: 4992400 -11.6622 -174.314 -26.9271 -118.404 -86.2244 64.9788 35.5519 135.426 -202.071 PRESSAVG: 4992400 -26.6023 -27.1206 40.1482 -27.1205 21.059 -12.0613 40.1482 -12.0614 -26.2231 GPRESSAVG: 4992400 -26.6529 -22.54 40.2877 -29.461 21.9505 -12.952 41.1318 -10.053 -26.4872 TIMING: 4992400 CPU: 14457.3, 0.00295465/step Wall: 14457.3, 0.00295465/step, 0.0062376 hours remaining, 211.000000 MB of memory in use. ENERGY: 4992400 717.0760 2107.0631 1946.3088 109.5167 -205693.7128 17562.5559 0.0000 0.0000 34219.1633 -149032.0289 298.8445 -183251.1923 -148935.2578 300.0207 -133.5559 -99.9859 558438.5963 -10.5888 -10.3966 PRESSURE: 4992600 178.291 -64.3081 -98.4171 -64.3082 -167.848 -63.9005 -98.4171 -63.9009 -3.86605 GPRESSURE: 4992600 247.077 -12.7993 9.85618 -84.2579 -112.883 15.2208 -78.5557 -235.951 -49.8979 PRESSAVG: 4992600 28.7794 -39.858 -19.6073 -39.8581 -49.1754 51.0851 -19.6072 51.0852 -21.4608 GPRESSAVG: 4992600 30.7973 -41.0339 -18.0028 -38.7979 -51.0281 52.4069 -19.387 49.7562 -22.3001 TIMING: 4992600 CPU: 14457.9, 0.00291554/step Wall: 14457.9, 0.00291554/step, 0.00599305 hours remaining, 211.000000 MB of memory in use. ENERGY: 4992600 717.3015 2050.8049 1968.4056 117.3019 -205820.9857 17703.4888 0.0000 0.0000 34274.8988 -148988.7842 299.3312 -183263.6830 -148894.8527 299.3922 2.1922 28.0987 558260.1149 -13.9523 -14.1769 PRESSURE: 4992800 -212.656 73.712 137.903 73.713 -247.907 -81.2943 137.903 -81.2936 -119.578 GPRESSURE: 4992800 -169.362 -8.66051 166.243 151.702 -245.427 -119.817 53.524 32.5823 -83.0997 PRESSAVG: 4992800 47.5253 -37.1701 40.4264 -37.17 -42.6999 -57.5382 40.4264 -57.5382 37.404 GPRESSAVG: 4992800 45.7052 -38.7355 39.885 -37.3185 -42.2307 -56.6871 39.5875 -58.9913 38.2669 TIMING: 4992800 CPU: 14458.5, 0.00291924/step Wall: 14458.5, 0.00291924/step, 0.00583848 hours remaining, 211.000000 MB of memory in use. ENERGY: 4992800 735.2622 2087.9849 1965.1839 118.9872 -205831.0908 17493.6821 0.0000 0.0000 34360.4839 -149069.5067 300.0787 -183429.9906 -148974.4845 300.2212 -193.3805 -165.9629 559122.3709 14.0765 13.9138 PRESSURE: 4993000 -189.1 60.8123 -22.7391 60.8126 -318.435 218.89 -22.7396 218.891 -6.53934 GPRESSURE: 4993000 -78.6037 86.6272 -12.7105 49.5684 -311.887 192.388 21.7071 201.546 -8.04218 PRESSAVG: 4993000 -27.4739 -15.3122 35.6927 -15.3122 -39.3344 -6.02763 35.6926 -6.02765 88.29 GPRESSAVG: 4993000 -27.1071 -14.3476 35.5347 -15.3456 -39.904 -7.22742 35.4567 -6.21715 88.1847 TIMING: 4993000 CPU: 14459, 0.002917/step Wall: 14459, 0.002917/step, 0.00567195 hours remaining, 211.000000 MB of memory in use. ENERGY: 4993000 755.7551 2143.5770 1947.6105 100.0287 -205616.7834 17492.9631 0.0000 0.0000 34136.6477 -149040.2013 298.1238 -183176.8491 -148940.6213 300.0171 -171.3582 -132.8444 558886.3072 7.1606 7.0579 PRESSURE: 4993200 12.4978 29.9757 -2.73051 29.9759 110.562 97.9117 -2.73066 97.9118 -216.356 GPRESSURE: 4993200 43.9197 27.6477 24.0045 39.3193 108.334 88.21 -52.4926 175.918 -147.067 PRESSAVG: 4993200 -27.9042 32.0672 13.3656 32.0672 2.65726 -7.77955 13.3656 -7.77955 -6.98629 GPRESSAVG: 4993200 -28.2016 32.9059 13.4949 32.8727 1.61344 -6.71176 14.913 -8.11823 -6.0156 TIMING: 4993200 CPU: 14459.6, 0.00291522/step Wall: 14459.6, 0.00291522/step, 0.00550653 hours remaining, 211.000000 MB of memory in use. ENERGY: 4993200 743.7293 2132.1736 1930.2609 121.6930 -205924.0050 17843.9143 0.0000 0.0000 34166.3295 -148985.9042 298.3831 -183152.2337 -148890.4757 299.7976 -31.0988 1.7290 557860.1269 -10.7444 -10.8679 PRESSURE: 4993400 -60.6853 -1.48456 -53.8813 -1.48477 163.242 25.779 -53.8817 25.7787 -22.0439 GPRESSURE: 4993400 -20.248 -3.04095 -87.4011 -9.41668 220.678 47.4546 -77.0148 -19.5813 -14.8963 PRESSAVG: 4993400 20.5142 -25.2507 27.1293 -25.2507 24.5235 24.1315 27.1293 24.1316 4.24144 GPRESSAVG: 4993400 20.188 -26.7725 25.7078 -25.3475 25.5833 22.3254 27.7558 24.4837 3.90429 TIMING: 4993400 CPU: 14460.2, 0.00290663/step Wall: 14460.2, 0.00290663/step, 0.00532882 hours remaining, 211.000000 MB of memory in use. ENERGY: 4993400 736.5252 2091.0622 1916.2328 121.9560 -206013.7116 17744.7084 0.0000 0.0000 34406.4585 -148996.7686 300.4802 -183403.2271 -148895.0770 300.1454 26.8376 61.8445 558460.4619 16.4264 16.5585 PRESSURE: 4993600 349.685 -23.2289 259.346 -23.2283 -48.6115 99.3244 259.346 99.3222 113.859 GPRESSURE: 4993600 440.594 20.468 290.692 -29.9702 -42.9244 120.882 115.278 49.2108 114.443 PRESSAVG: 4993600 -11.8928 -5.13047 42.0731 -5.13035 -11.2319 4.18998 42.0732 4.19 35.3014 GPRESSAVG: 4993600 -11.5388 -3.58536 42.7874 -5.12735 -11.6467 6.54256 41.9487 2.43386 35.3608 TIMING: 4993600 CPU: 14460.8, 0.00289631/step Wall: 14460.8, 0.00289631/step, 0.005149 hours remaining, 211.000000 MB of memory in use. ENERGY: 4993600 725.4335 2069.6658 1953.4920 112.3226 -206406.3368 18135.4609 0.0000 0.0000 34431.6639 -148978.2980 300.7003 -183409.9619 -148878.5736 300.2330 138.3107 170.7043 558046.9440 4.0589 4.0584 PRESSURE: 4993800 131.778 107.199 -106.555 107.2 -74.751 -27.607 -106.555 -27.607 125.129 GPRESSURE: 4993800 194.821 88.6476 -134.88 118.199 -65.085 -33.0478 -64.0723 22.3954 141.902 PRESSAVG: 4993800 27.8321 19.7074 48.6043 19.7074 -27.1711 26.1279 48.6043 26.1279 -11.6762 GPRESSAVG: 4993800 28.3011 19.7484 48.0393 19.2074 -27.297 25.9548 49.0999 26.9761 -12.4538 TIMING: 4993800 CPU: 14461.4, 0.00288708/step Wall: 14461.4, 0.00288708/step, 0.00497219 hours remaining, 211.000000 MB of memory in use. ENERGY: 4993800 742.2895 2108.1431 1952.7915 111.3224 -206137.0756 17917.6445 0.0000 0.0000 34321.1858 -148983.6988 299.7355 -183304.8846 -148887.1645 300.0669 60.7187 90.5461 557284.0629 -3.6717 -3.8166 PRESSURE: 4994000 100.644 33.2211 -24.0756 33.2209 273.611 -149.057 -24.0753 -149.057 0.338869 GPRESSURE: 4994000 52.3776 -35.6789 -9.84738 10.4402 387.177 -33.2945 -65.8268 -192.188 32.4921 PRESSAVG: 4994000 -45.5476 36.1347 -9.59204 36.1347 39.9848 -28.5564 -9.59193 -28.5564 27.5696 GPRESSAVG: 4994000 -45.7449 33.713 -9.35191 37.073 40.0129 -30.4283 -11.152 -27.1171 27.9986 TIMING: 4994000 CPU: 14461.9, 0.00289191/step Wall: 14461.9, 0.00289191/step, 0.00481985 hours remaining, 211.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4994000 769.4077 2106.3404 1929.7334 108.1804 -205877.8294 17849.6257 0.0000 0.0000 34208.6916 -148905.8501 298.7530 -183114.5418 -148814.5314 299.1655 124.8646 157.3489 557474.9964 7.3356 7.4222 PRESSURE: 4994200 163.308 -108.011 65.6928 -108.011 83.6832 -126.598 65.6928 -126.599 -108.362 GPRESSURE: 4994200 178.426 -60.315 56.595 -96.6197 153.787 -158.081 10.4163 -168.439 -84.1862 PRESSAVG: 4994200 12.6737 7.23807 49.24 7.23814 56.496 -50.898 49.24 -50.898 -66.4559 GPRESSAVG: 4994200 11.9101 11.1774 50.7178 5.69968 56.6587 -49.6792 48.4798 -51.5567 -65.8293 TIMING: 4994200 CPU: 14462.5, 0.00289122/step Wall: 14462.5, 0.00289122/step, 0.00465808 hours remaining, 211.000000 MB of memory in use. ENERGY: 4994200 795.4441 2022.2553 1958.7127 113.5553 -205796.5690 17769.5204 0.0000 0.0000 34169.8180 -148967.2632 298.4135 -183137.0812 -148869.6718 299.2281 46.2095 82.6758 556983.1476 0.9046 0.9132 PRESSURE: 4994400 351.907 -6.98439 -106.451 -6.9838 50.0707 -89.0575 -106.45 -89.0581 422.976 GPRESSURE: 4994400 388.014 -47.5501 -64.8218 44.3247 54.3464 -84.6644 -69.7936 -50.7465 495.453 PRESSAVG: 4994400 -61.7267 -11.5307 -32.0375 -11.5307 7.57707 -10.1991 -32.0376 -10.1991 27.8617 GPRESSAVG: 4994400 -62.0688 -14.0146 -34.109 -10.3433 7.48537 -9.58757 -30.0779 -10.8466 28.1579 TIMING: 4994400 CPU: 14463.1, 0.00289004/step Wall: 14463.1, 0.00289004/step, 0.00449561 hours remaining, 211.000000 MB of memory in use. ENERGY: 4994400 707.1995 2020.7882 1953.1757 104.6229 -206240.4131 17943.8520 0.0000 0.0000 34587.5070 -148923.2679 302.0613 -183510.7749 -148831.0301 299.3243 274.9846 312.6044 557624.4379 -8.7627 -8.8085 PRESSURE: 4994600 -444.862 -94.0952 -146.048 -94.0959 -313.943 -136.797 -146.048 -136.797 -96.403 GPRESSURE: 4994600 -405.322 -16.1398 -249.114 -131.656 -252.579 -108.221 -88.7298 -128.851 -98.033 PRESSAVG: 4994600 -25.343 -8.81663 -6.62085 -8.81659 -30.8414 24.701 -6.62082 24.7009 59.9397 GPRESSAVG: 4994600 -24.1688 -6.21195 -7.27848 -9.26246 -30.6134 24.8831 -5.00353 25.1458 58.8946 TIMING: 4994600 CPU: 14463.7, 0.00289153/step Wall: 14463.7, 0.00289153/step, 0.00433729 hours remaining, 211.000000 MB of memory in use. ENERGY: 4994600 748.6919 2069.9722 1938.8323 124.9188 -205465.7388 17308.3767 0.0000 0.0000 34359.5810 -148915.3659 300.0708 -183274.9469 -148817.4157 300.4066 -285.0693 -251.9781 558635.8320 1.2518 1.3708 PRESSURE: 4994800 -382.776 37.9205 30.1058 37.9196 -68.4232 -47.8782 30.1051 -47.8792 118.231 GPRESSURE: 4994800 -334.821 -4.1396 16.8327 -14.7237 -5.3893 -111.736 91.7142 -38.5784 107.699 PRESSAVG: 4994800 -8.82753 9.25276 23.4975 9.25273 -35.085 2.23224 23.4974 2.23223 28.9085 GPRESSAVG: 4994800 -9.37693 8.21886 25.8481 7.39731 -34.7626 1.24653 20.1528 4.98413 29.4979 TIMING: 4994800 CPU: 14464.3, 0.00290259/step Wall: 14464.3, 0.00290259/step, 0.00419263 hours remaining, 211.000000 MB of memory in use. ENERGY: 4994800 762.0300 2004.6497 1942.8677 123.9427 -205710.6919 17652.7417 0.0000 0.0000 34330.3358 -148894.1244 299.8154 -183224.4602 -148800.5640 300.1757 -110.9896 -77.5039 556353.3154 -5.0014 -4.8805 PRESSURE: 4995000 -121.654 -92.8128 -43.3394 -92.8131 -97.3141 -68.4996 -43.3394 -68.4989 -95.2211 GPRESSURE: 4995000 -105.122 -19.1653 -53.7817 -78.7854 -18.6457 -34.6154 19.5525 -143.592 -98.8459 PRESSAVG: 4995000 -23.0092 -36.7042 -54.4892 -36.7042 -71.7365 -93.5 -54.4892 -93.5 92.4654 GPRESSAVG: 4995000 -23.5162 -36.4968 -55.5867 -36.4622 -71.5389 -92.6052 -53.5006 -95.2916 92.7624 TIMING: 4995000 CPU: 14464.8, 0.00288694/step Wall: 14464.8, 0.00288694/step, 0.00400964 hours remaining, 211.000000 MB of memory in use. ENERGY: 4995000 739.9884 2049.1002 1953.6491 107.6552 -206043.2453 17747.5291 0.0000 0.0000 34227.1580 -149218.1654 298.9143 -183445.3233 -149120.4031 299.0134 -104.7298 -74.2044 558159.0935 -0.7601 -0.7643 PRESSURE: 4995200 -88.4186 90.0649 2.39145 90.0652 -164.169 -112.051 2.38976 -112.049 -132.975 GPRESSURE: 4995200 -138.818 97.5463 26.8824 82.729 -101.084 -159.423 0.750477 -89.4345 -66.5341 PRESSAVG: 4995200 -53.4178 13.7296 -46.4602 13.7297 -5.10268 -37.3356 -46.4602 -37.3357 25.3361 GPRESSAVG: 4995200 -52.7216 12.3229 -46.485 17.167 -4.3889 -38.5742 -45.9603 -37.0504 24.0436 TIMING: 4995200 CPU: 14465.4, 0.00288658/step Wall: 14465.4, 0.00288658/step, 0.00384878 hours remaining, 211.000000 MB of memory in use. ENERGY: 4995200 737.1712 2040.8019 1937.8741 108.8894 -206119.0406 17564.1263 0.0000 0.0000 34354.9266 -149375.2512 300.0301 -183730.1778 -149280.4576 298.2112 -128.5208 -102.1454 557774.1648 -11.0615 -11.0223 PRESSURE: 4995400 128.682 -97.1764 -2.98919 -97.1756 115.099 -59.1326 -2.98788 -59.134 -171.782 GPRESSURE: 4995400 159.575 -139.623 -42.3799 -8.02239 129.439 -4.0045 -25.9394 -154.433 -107.761 PRESSAVG: 4995400 -75.9969 -54.5744 -37.7265 -54.5744 7.68937 -44.7203 -37.7265 -44.7201 69.137 GPRESSAVG: 4995400 -76.8624 -54.4284 -37.2684 -57.0875 6.44567 -44.2094 -37.6858 -45.3707 71.1182 TIMING: 4995400 CPU: 14466, 0.00289441/step Wall: 14466, 0.00289441/step, 0.00369841 hours remaining, 211.000000 MB of memory in use. ENERGY: 4995400 693.8094 2114.2723 1921.9585 115.5636 -206552.0019 18022.1697 0.0000 0.0000 34306.0716 -149378.1567 299.6035 -183684.2284 -149281.2092 299.0710 23.9997 60.4179 558539.3279 0.2765 0.2338 PRESSURE: 4995600 -16.7691 80.0714 143.634 80.0703 3.84497 159.884 143.635 159.884 -229.52 GPRESSURE: 4995600 -45.1861 93.6091 125.325 32.8562 102.526 135.037 201.59 187.044 -204.912 PRESSAVG: 4995600 17.6412 -61.9348 4.13547 -61.9349 91.4508 -21.9988 4.13545 -21.999 -101.06 GPRESSAVG: 4995600 18.5325 -60.5245 4.49301 -62.348 92.5648 -22.6659 3.92108 -22.0638 -103.141 TIMING: 4995600 CPU: 14466.6, 0.00291745/step Wall: 14466.6, 0.00291745/step, 0.00356577 hours remaining, 211.000000 MB of memory in use. ENERGY: 4995600 729.3312 2032.2010 1929.7566 114.2521 -206187.9497 17740.9060 0.0000 0.0000 34149.9263 -149491.5765 298.2398 -183641.5028 -149397.5646 299.1642 -80.8147 -49.1907 557419.9160 2.6774 2.6520 PRESSURE: 4995800 -233.231 -25.0432 -81.3391 -25.044 -163.584 -168.026 -81.3405 -168.026 8.01543 GPRESSURE: 4995800 -236.735 -46.6109 -55.5105 -20.6796 -121.726 -50.7121 -68.9103 -132.379 78.3058 PRESSAVG: 4995800 7.54442 -28.8283 -25.1005 -28.8283 54.259 -11.7798 -25.1006 -11.7797 -50.1329 GPRESSAVG: 4995800 6.73649 -28.958 -26.8003 -27.6526 54.5281 -11.1118 -25.3284 -11.8337 -49.1673 TIMING: 4995800 CPU: 14467.2, 0.00291842/step Wall: 14467.2, 0.00291842/step, 0.00340482 hours remaining, 211.000000 MB of memory in use. ENERGY: 4995800 735.5133 2066.8729 1906.7285 115.1924 -206469.5170 17651.7507 0.0000 0.0000 34333.5405 -149659.9187 299.8433 -183993.4592 -149565.2017 299.2235 -129.5996 -93.3852 557258.4514 3.8902 4.0325 PRESSURE: 4996000 22.9924 214.522 40.7042 214.521 152.83 -64.9018 40.704 -64.8999 172.046 GPRESSURE: 4996000 96.2362 231.814 55.3174 114.2 119.191 -155.773 -69.5891 -24.0692 237.964 PRESSAVG: 4996000 -17.5919 10.2552 -6.46929 10.2552 21.7627 -32.7055 -6.46929 -32.7054 45.7445 GPRESSAVG: 4996000 -16.0116 11.2023 -5.23385 8.61938 20.8608 -33.9591 -5.89868 -30.4768 45.0892 TIMING: 4996000 CPU: 14467.7, 0.0028886/step Wall: 14467.7, 0.0028886/step, 0.00320955 hours remaining, 211.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4996000 741.9611 2066.6546 1953.8937 125.0242 -206936.5428 18235.2972 0.0000 0.0000 34154.1056 -149659.6064 298.2763 -183813.7120 -149564.9503 298.2511 115.9563 151.1303 556078.0710 16.6384 16.6461 PRESSURE: 4996200 -112.815 12.4321 -46.3428 12.4317 7.48754 -63.3623 -46.3422 -63.3624 -86.9155 GPRESSURE: 4996200 -70.7113 -25.3627 -29.6545 -5.41008 -15.7458 -97.9564 -8.1668 -97.7657 -12.7053 PRESSAVG: 4996200 -7.32667 1.88488 -50.6944 1.88494 41.6292 27.5016 -50.6944 27.5014 0.544856 GPRESSAVG: 4996200 -7.87453 0.14209 -50.537 3.65575 41.4861 28.4326 -52.7295 25.8758 1.82823 TIMING: 4996200 CPU: 14468.3, 0.00288884/step Wall: 14468.3, 0.00288884/step, 0.00304933 hours remaining, 211.000000 MB of memory in use. ENERGY: 4996200 726.1234 2105.3326 1928.6358 111.2895 -206425.9470 17719.2556 0.0000 0.0000 34184.5902 -149650.7199 298.5425 -183835.3101 -149557.9230 297.7448 -64.0809 -33.0541 557283.9423 11.6158 11.8133 LDB: ============= START OF LOAD BALANCING ============== 14471.7 LDB: ============== END OF LOAD BALANCING =============== 14471.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14471.7 LDB: ============= START OF LOAD BALANCING ============== 14472 LDB: Largest compute 4773 load 0.030857 is 26.1% of average load 0.118003 LDB: Average compute 0.001735 is 1.5% of average load 0.118003 LDB: TIME 14472 LOAD: AVG 0.118003 MAX 0.177307 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 212.793 MB LDB: TIME 14472 LOAD: AVG 0.118003 MAX 0.177307 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.996 MB LDB: TIME 14472 LOAD: AVG 0.118003 MAX 0.177307 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 212.996 MB LDB: ============== END OF LOAD BALANCING =============== 14472 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14472 PRESSURE: 4996400 133.994 18.4756 -51.1226 18.4748 -32.1275 -126.6 -51.1226 -126.598 -93.796 GPRESSURE: 4996400 139.217 28.4014 -58.419 72.5229 38.2996 -129.685 -13.43 -154.622 -70.0156 PRESSAVG: 4996400 -8.39282 -60.0926 -43.0282 -60.0926 -11.757 -2.90373 -43.0281 -2.90372 6.60956 GPRESSAVG: 4996400 -8.70569 -59.8305 -44.4405 -60.3385 -12.4793 -2.1349 -40.8723 -4.16134 7.99301 TIMING: 4996400 CPU: 14468.9, 0.00293992/step Wall: 14468.9, 0.00293992/step, 0.00293992 hours remaining, 212.523438 MB of memory in use. ENERGY: 4996400 745.2711 2088.5600 1954.4220 106.6293 -206686.6056 17964.0624 0.0000 0.0000 34136.8017 -149690.8592 298.1252 -183827.6609 -149597.6060 297.7670 2.6902 35.8337 557337.7038 -4.5134 -4.3973 PRESSURE: 4996600 -244.043 -126.904 -173.934 -126.905 49.2124 180.768 -173.934 180.767 -111.382 GPRESSURE: 4996600 -128.954 -102.026 -168.745 -116.361 44.2405 184.948 -125.632 134.793 -119.916 PRESSAVG: 4996600 -44.3643 -5.2358 -18.7871 -5.23585 46.1465 13.8999 -18.787 13.8999 32.2788 GPRESSAVG: 4996600 -43.4568 -5.01155 -18.1987 -5.44135 46.3995 10.6747 -20.2346 16.9655 31.0307 TIMING: 4996600 CPU: 14469.5, 0.00288987/step Wall: 14469.5, 0.00288987/step, 0.00272933 hours remaining, 212.722656 MB of memory in use. ENERGY: 4996600 760.9411 2072.1857 1948.2052 104.5253 -206500.2310 17756.5251 0.0000 0.0000 34058.3246 -149799.5240 297.4398 -183857.8486 -149701.1023 298.1001 -102.0710 -68.2098 556835.0787 11.3537 11.3245 PRESSURE: 4996800 -73.947 -164.392 8.44277 -164.392 283.891 -65.8869 8.44297 -65.8867 27.8303 GPRESSURE: 4996800 -74.8992 -152.585 48.2406 -146.103 291.211 23.6248 -38.111 -11.6338 111.27 PRESSAVG: 4996800 -19.2595 -33.4502 13.8741 -33.4502 -0.00096096 -10.6757 13.8741 -10.6758 10.5351 GPRESSAVG: 4996800 -20.7108 -34.0416 13.7414 -33.6699 -0.457104 -8.86746 15.1971 -12.3755 12.7161 TIMING: 4996800 CPU: 14470.1, 0.00289482/step Wall: 14470.1, 0.00289482/step, 0.00257317 hours remaining, 212.722656 MB of memory in use. ENERGY: 4996800 729.4766 2070.4799 1946.5323 117.4251 -206652.9264 17892.4769 0.0000 0.0000 34016.7361 -149879.7996 297.0766 -183896.5357 -149778.6227 297.6828 79.2583 109.1939 555960.4263 -2.9085 -2.8173 PRESSURE: 4997000 -110.988 -7.13822 30.9429 -7.13849 92.0762 88.0613 30.9439 88.0621 259.634 GPRESSURE: 4997000 -4.11761 36.2692 12.4197 -27.4282 125.676 42.436 26.9752 140.942 220.529 PRESSAVG: 4997000 -38.3189 -32.6046 11.7087 -32.6047 12.0805 -0.410847 11.7088 -0.410796 -22.661 GPRESSAVG: 4997000 -37.3224 -32.7016 11.1258 -31.8365 13.4434 -0.431578 10.4997 0.199218 -24.9566 TIMING: 4997000 CPU: 14470.6, 0.00288777/step Wall: 14470.6, 0.00288777/step, 0.00240648 hours remaining, 212.722656 MB of memory in use. ENERGY: 4997000 742.1739 2026.6677 1967.2772 112.8556 -206970.2197 18106.7544 0.0000 0.0000 34199.6802 -149814.8107 298.6743 -184014.4909 -149715.3992 297.4990 80.2409 114.0289 555921.0783 -16.2998 -16.2785 PRESSURE: 4997200 -52.2582 184.681 -42.1948 184.681 -69.9426 -138.328 -42.1967 -138.327 155.455 GPRESSURE: 4997200 -22.0719 97.9567 -46.3364 192.603 -28.9011 -38.7419 -106.526 -187.702 173.83 PRESSAVG: 4997200 73.2101 22.6644 -15.5122 22.6645 -17.435 -20.6398 -15.5122 -20.6398 -6.97685 GPRESSAVG: 4997200 74.1704 22.6005 -13.9599 21.6758 -18.3638 -20.7515 -16.3427 -20.477 -6.97685 TIMING: 4997200 CPU: 14471.2, 0.00291541/step Wall: 14471.2, 0.00291541/step, 0.00226754 hours remaining, 212.722656 MB of memory in use. ENERGY: 4997200 729.5453 2115.0547 1966.4747 108.5981 -206763.1409 17951.9880 0.0000 0.0000 34157.0076 -149734.4724 298.3016 -183891.4801 -149642.2234 298.4406 11.0846 40.9524 556078.0718 16.2661 16.2766 PRESSURE: 4997400 106.748 203.969 -116.966 203.967 -167.827 94.0979 -116.967 94.0971 -219.226 GPRESSURE: 4997400 160.994 167.767 -92.855 133.094 -140.313 83.8253 -108.142 108.864 -210.153 PRESSAVG: 4997400 25.7994 3.08457 -26.2018 3.08458 -1.75485 11.0147 -26.2018 11.0148 10.763 GPRESSAVG: 4997400 22.6019 4.14191 -27.3441 2.46069 -0.164028 8.66936 -26.8764 10.889 12.0276 TIMING: 4997400 CPU: 14471.8, 0.00291883/step Wall: 14471.8, 0.00291883/step, 0.00210804 hours remaining, 212.722656 MB of memory in use. ENERGY: 4997400 750.5740 2040.3919 1971.4726 127.0632 -206451.8431 17782.9611 0.0000 0.0000 34203.8512 -149575.5291 298.7107 -183779.3803 -149476.2478 298.6003 -93.4351 -63.1572 557407.4737 11.6025 11.4885 PRESSURE: 4997600 -122.613 39.3306 -253.988 39.33 -176.767 2.70818 -253.987 2.7073 -43.6414 GPRESSURE: 4997600 -158.046 3.00727 -287.21 79.5724 -70.5349 -19.4856 -273.603 -16.6099 -23.973 PRESSAVG: 4997600 -66.0287 37.787 -38.5106 37.787 -33.4314 -1.45948 -38.5106 -1.45949 66.2037 GPRESSAVG: 4997600 -65.6798 36.9415 -38.2954 38.6906 -34.0454 -0.621229 -36.4079 -4.08502 66.8173 TIMING: 4997600 CPU: 14472.4, 0.00290463/step Wall: 14472.4, 0.00290463/step, 0.00193642 hours remaining, 212.722656 MB of memory in use. ENERGY: 4997600 739.9492 2113.1401 1953.6709 107.9970 -206472.2372 17875.5896 0.0000 0.0000 34098.5548 -149583.3357 297.7912 -183681.8904 -149490.1459 298.7842 -114.3406 -84.1847 556680.8715 -11.0854 -10.9693 PRESSURE: 4997800 -143.756 49.1771 -165.444 49.1753 -198.197 -39.0249 -165.442 -39.0224 -116.437 GPRESSURE: 4997800 -31.3148 11.7657 -172.802 159.452 -244.905 -25.4169 -168.863 -102.807 -77.3595 PRESSAVG: 4997800 54.0554 -1.30001 -42.7904 -1.30006 -16.9294 -10.1021 -42.7905 -10.1021 -3.74263 GPRESSAVG: 4997800 55.89 -0.0892236 -41.8957 -2.54197 -17.4336 -7.84521 -42.1455 -10.1386 -5.02006 TIMING: 4997800 CPU: 14473, 0.00290085/step Wall: 14473, 0.00290085/step, 0.00177274 hours remaining, 212.722656 MB of memory in use. ENERGY: 4997800 759.2186 2118.1223 1946.6519 107.4473 -206470.0237 17661.2754 0.0000 0.0000 34445.0094 -149432.2988 300.8168 -183877.3082 -149336.0364 298.4892 -152.7963 -117.8599 557046.1696 11.1278 11.1454 PRESSURE: 4998000 -191.21 60.0831 -29.7601 60.0844 -179.129 107.911 -29.759 107.91 108.19 GPRESSURE: 4998000 -195.631 35.4226 -40.46 -10.3167 -116.683 110.3 58.9311 102.992 155.236 PRESSAVG: 4998000 -41.8493 64.7901 -12.0212 64.7901 -23.301 -7.60206 -12.0211 -7.60197 86.0009 GPRESSAVG: 4998000 -42.6477 66.1199 -13.2479 65.3639 -23.498 -9.29169 -12.9712 -6.31131 87.3798 TIMING: 4998000 CPU: 14473.5, 0.00289862/step Wall: 14473.5, 0.00289862/step, 0.00161034 hours remaining, 212.722656 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: 4998000 758.2405 2134.5396 1956.8919 116.2632 -206396.1471 17856.4772 0.0000 0.0000 34329.9317 -149243.8032 299.8118 -183573.7348 -149145.5236 299.1932 -87.3830 -52.3592 556821.8018 6.9502 7.0780 PRESSURE: 4998200 -164.704 -88.9913 -196.901 -88.9909 -168.21 45.994 -196.902 45.9938 -79.4286 GPRESSURE: 4998200 -83.5548 -112.091 -200.226 -16.6079 -175.248 97.4117 -278.436 -105.718 -61.1089 PRESSAVG: 4998200 5.3047 15.8711 -6.61218 15.8711 -21.9787 -10.905 -6.61216 -10.905 36.8512 GPRESSAVG: 4998200 6.09937 13.0214 -6.28449 17.3935 -21.2152 -7.0203 -6.20667 -12.1696 35.3127 TIMING: 4998200 CPU: 14474.1, 0.00290792/step Wall: 14474.1, 0.00290792/step, 0.00145396 hours remaining, 212.722656 MB of memory in use. ENERGY: 4998200 757.2618 2133.6771 1947.2795 106.7869 -205919.8350 17481.5313 0.0000 0.0000 34396.9375 -149096.3610 300.3970 -183493.2984 -148999.6988 300.3187 -137.4475 -106.6374 558295.7418 6.7257 6.7323 PRESSURE: 4998400 -120.72 205.447 -38.8411 205.446 -165.75 149.064 -38.8406 149.064 -276.763 GPRESSURE: 4998400 -84.5442 247.838 -30.936 156.882 -199.751 136.852 -86.1132 168.714 -178.4 PRESSAVG: 4998400 76.847 15.0834 5.01649 15.0834 -65.8709 27.4119 5.0164 27.4119 7.91169 GPRESSAVG: 4998400 76.3419 15.7652 3.12768 11.8589 -65.587 23.6295 4.68405 30.2363 8.47215 TIMING: 4998400 CPU: 14474.7, 0.00293436/step Wall: 14474.7, 0.00293436/step, 0.00130416 hours remaining, 212.722656 MB of memory in use. ENERGY: 4998400 765.3250 2106.9499 1936.7813 114.8463 -205837.9320 17578.8530 0.0000 0.0000 34184.2953 -149150.8811 298.5400 -183335.1764 -149061.4906 299.3024 -187.7447 -154.2317 557900.5109 6.2959 6.4090 PRESSURE: 4998600 -23.7822 40.0895 -172.539 40.0883 29.8198 17.9312 -172.538 17.9331 -126.587 GPRESSURE: 4998600 1.19885 9.09287 -140.322 -30.1026 68.2313 9.56878 -156.28 29.2624 -79.5949 PRESSAVG: 4998600 0.802781 -0.855166 -29.7446 -0.855333 27.5322 15.712 -29.7446 15.7119 -4.41028 GPRESSAVG: 4998600 1.35513 -0.88936 -26.123 0.126425 26.6536 15.7251 -30.8557 15.2757 -4.31002 TIMING: 4998600 CPU: 14475.3, 0.00293139/step Wall: 14475.3, 0.00293139/step, 0.00113998 hours remaining, 212.722656 MB of memory in use. ENERGY: 4998600 762.5748 2140.8171 1946.7909 119.5888 -205925.0783 17688.5420 0.0000 0.0000 34067.0203 -149199.7445 297.5158 -183266.7648 -149099.0564 299.3382 -40.1830 -3.3882 557986.1973 7.9749 7.8996 PRESSURE: 4998800 167.688 24.8029 272.442 24.8036 45.504 225.695 272.443 225.696 228.762 GPRESSURE: 4998800 145.338 -55.224 316.359 80.5638 100.495 300.086 202.629 259.943 280.013 PRESSAVG: 4998800 69.2584 -15.888 -19.6636 -15.8879 -18.5466 40.3199 -19.6636 40.32 -17.7926 GPRESSAVG: 4998800 68.7777 -16.939 -20.2255 -14.3167 -19.6838 41.5821 -20.1502 37.7661 -16.2607 TIMING: 4998800 CPU: 14475.9, 0.00290056/step Wall: 14475.9, 0.00290056/step, 0.000966854 hours remaining, 212.722656 MB of memory in use. ENERGY: 4998800 738.4266 2119.1616 1965.9619 110.6869 -206282.1757 17947.9111 0.0000 0.0000 34345.5193 -149054.5084 299.9480 -183400.0277 -148960.8147 299.1867 147.3182 175.2818 556250.0746 10.9731 10.9444 PRESSURE: 4999000 -151.733 33.6074 37.651 33.6075 -59.478 144.897 37.6516 144.898 -122.706 GPRESSURE: 4999000 -94.0297 -4.43055 83.4981 -39.0988 -52.4506 73.1766 1.85338 191.565 -83.2882 PRESSAVG: 4999000 -32.8869 19.5144 73.9407 19.5144 19.0272 86.9184 73.9407 86.9186 -10.4677 GPRESSAVG: 4999000 -33.0861 21.6123 74.8208 17.793 19.6425 88.0612 74.1416 87.1247 -11.7008 TIMING: 4999000 CPU: 14476.5, 0.00290905/step Wall: 14476.5, 0.00290905/step, 0.000808069 hours remaining, 212.722656 MB of memory in use. ENERGY: 4999000 712.2938 2087.8145 1970.0551 122.1647 -205763.9115 17528.9798 0.0000 0.0000 34419.4826 -148923.1211 300.5939 -183342.6037 -148828.5889 299.7154 -111.3057 -76.5895 557106.0932 -8.1091 -8.3815 PRESSURE: 4999200 3.25484 -15.3546 69.8941 -15.355 -17.26 -60.574 69.8931 -60.573 142.236 GPRESSURE: 4999200 36.1128 -89.3267 119.259 -29.5259 16.4803 -114 67.0685 1.02511 169.005 PRESSAVG: 4999200 58.644 25.2896 39.4888 25.2895 -26.5045 18.8133 39.4888 18.8133 -25.7066 GPRESSAVG: 4999200 58.2733 25.553 36.5554 24.0095 -26.2345 17.029 40.7735 19.6634 -26.0669 TIMING: 4999200 CPU: 14477, 0.00290607/step Wall: 14477, 0.00290607/step, 0.000645792 hours remaining, 212.722656 MB of memory in use. ENERGY: 4999200 762.1913 2094.4225 1980.6728 115.1504 -205802.8777 17674.0665 0.0000 0.0000 34396.0007 -148780.3736 300.3888 -183176.3743 -148687.5607 300.5003 42.7436 73.8660 557064.4509 2.1443 1.9906 PRESSURE: 4999400 153.793 2.77595 5.66939 2.77495 121.171 176.573 5.66996 176.573 -88.4058 GPRESSURE: 4999400 161.279 38.3675 42.4117 39.4679 184.833 125.331 85.5897 159.253 -50.933 PRESSAVG: 4999400 16.3835 -17.2864 30.9216 -17.2865 -34.7337 53.111 30.9216 53.111 17.348 GPRESSAVG: 4999400 16.1515 -18.909 31.2243 -14.0268 -33.5024 54.4731 29.8431 51.5384 16.5478 TIMING: 4999400 CPU: 14477.6, 0.00291257/step Wall: 14477.6, 0.00291257/step, 0.000485428 hours remaining, 212.722656 MB of memory in use. ENERGY: 4999400 766.9136 2100.2807 1953.2716 115.0582 -205853.8403 17709.5120 0.0000 0.0000 34428.2164 -148780.5878 300.6702 -183208.8042 -148685.3158 300.8397 62.1860 98.3930 557007.6079 -0.3341 -0.2677 PRESSURE: 4999600 52.2372 175.816 46.747 175.817 17.5898 -92.3884 46.7476 -92.387 76.611 GPRESSURE: 4999600 53.5072 201.084 75.5926 221.267 86.5689 6.1553 37.2997 -32.3659 110.06 PRESSAVG: 4999600 40.1009 -4.65247 -9.25449 -4.65245 -21.2308 19.7214 -9.25448 19.7214 -40.5269 GPRESSAVG: 4999600 39.554 -5.14294 -8.26053 -6.11855 -21.2194 19.6803 -9.93673 20.3163 -39.8881 TIMING: 4999600 CPU: 14478.2, 0.00292533/step Wall: 14478.2, 0.00292533/step, 0.000325036 hours remaining, 212.792969 MB of memory in use. ENERGY: 4999600 740.7262 2106.3362 1968.1321 102.2353 -205983.4977 17779.2370 0.0000 0.0000 34484.4736 -148802.3574 301.1615 -183286.8310 -148712.9069 301.4316 48.8127 83.3788 557060.6660 -7.2189 -7.1845 PRESSURE: 4999800 0.893573 62.0807 -29.1816 62.0808 -257.348 -112.331 -29.1813 -112.33 -181.316 GPRESSURE: 4999800 -14.3755 82.799 -41.2656 161.254 -256.2 -133.084 -55.9684 -27.1375 -76.4528 PRESSAVG: 4999800 17.116 21.8319 56.2276 21.8319 -46.4246 -43.4934 56.2276 -43.4934 20.3069 GPRESSAVG: 4999800 17.4699 22.9096 56.6929 20.4534 -48.5679 -44.6142 54.4428 -42.0589 22.1695 TIMING: 4999800 CPU: 14478.8, 0.00293129/step Wall: 14478.8, 0.00293129/step, 0.00016285 hours remaining, 212.792969 MB of memory in use. ENERGY: 4999800 780.5129 2049.7570 1968.1394 113.9119 -205952.2053 17612.4716 0.0000 0.0000 34390.8582 -149036.5543 300.3439 -183427.4125 -148944.2099 300.5596 -145.9236 -115.6762 556739.5355 -3.0006 -2.9762 PRESSURE: 5000000 -194.558 -74.6207 76.5432 -74.6213 -109.19 -89.2503 76.5415 -89.2488 -271.626 GPRESSURE: 5000000 -167.705 -39.0653 149.32 -79.9996 -94.3434 -66.4405 22.4594 -23.4536 -209.54 PRESSAVG: 5000000 65.7757 0.321649 -57.0369 0.321619 10.3366 -43.6611 -57.0369 -43.6611 -68.4067 GPRESSAVG: 5000000 64.4464 1.03804 -57.0001 1.6163 11.5209 -43.6363 -56.7183 -44.2433 -68.585 TIMING: 5000000 CPU: 14479.4, 0.00293943/step Wall: 14479.4, 0.00293943/step, 0 hours remaining, 212.792969 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: 5000000 728.9808 2073.0889 1952.1407 107.2883 -205842.4622 17503.8420 0.0000 0.0000 34126.8669 -149350.2545 298.0384 -183477.1214 -149251.3770 299.9053 -191.7912 -157.1962 556979.3144 2.5685 2.4608 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.2.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.2.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 14482.963867 CPUTime: 14482.963867 Memory: 213.156250 MB [Partition 0][Node 0] End of program Application 48610983 resources: utime ~2283815s, stime ~28876s, Rss ~222228, inblocks ~403773, outblocks ~1030561